smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features O=C(C[C@@]1(O)C(=O)N(Cc2ccc3c(c2)OCO3)c2ccccc21)c1ccccc1 780129 FGAKUVVKVYQUEI-DEOSSOPVSA-N 401.418 3.423 0 40 HGAB CC1(C)Oc2ccc(C(=O)N3CCCC3)cc2N(CC(=O)Nc2ccccc2)C1=O 1355309 UWOKXSMHHXRPHD-UHFFFAOYSA-N 407.470 3.065 0 40 HGAB O=C(CN(Cc1ccccc1Cl)C(=O)[C@H]1CSC(=O)C1)NC1CCCCC1 1378571 MWQIGZMJRGPSIL-OAHLLOKOSA-N 408.951 3.397 0 40 HGAB CCCCCNC(=O)CN1CC[C@]2(O)CCCC[C@@H]2[C@H]1c1ccc2c(c1)OCO2 2099178 XFEVYGOFGKAHNI-SXSPYAJSSA-N 402.535 3.390 0 40 HGAB biogenic CCN(CC(=O)NCc1ccc(F)cc1)C(=O)/C=C/c1cc(OC)ccc1OC 3323213 DMUGIRRROIGFAP-KPKJPENVSA-N 400.450 3.021 0 40 HGAB C[C@H](Cc1nnc(SCC(=O)Nc2ccc(Cl)cn2)n1N)c1ccccc1 3354429 ZKEOWFLUSMHWCV-GFCCVEGCSA-N 402.911 3.117 0 40 HGAB CC(C)Oc1ccc(C(=O)Nc2nnc(SCC(=O)N3CCCC3)s2)cc1 4087965 RTVVAQMRFWLXNK-UHFFFAOYSA-N 406.533 3.292 0 40 HGAB COc1ccc(-c2nnc3ccc(SCC(=O)NCCc4ccccc4)nn23)cc1 4164977 FNWURNLKXWXMTP-UHFFFAOYSA-N 419.510 3.251 0 40 HGAB CC(=O)Nc1sc(C)c(C)c1C(=O)O[C@H](C)C(=O)N1CCc2ccccc2C1 4550015 APSOYTMYCALJPH-CYBMUJFWSA-N 400.500 3.454 0 40 HGAB O=C(NCCCc1ccccc1)C(=O)NC[C@H](c1ccco1)N1CCc2ccccc21 5152804 BVQSJNPDVFIUGQ-JOCHJYFZSA-N 417.509 3.249 0 40 HGAB CN(C)C(=O)[C@H](Sc1ccc(S(=O)(=O)N2CCCCC2)cn1)c1ccccc1 5278866 QKDXAYBMQGXDIN-LJQANCHMSA-N 419.572 3.178 0 40 HGAB CCCNC(=O)[C@@H]1CC(=O)N(c2ccc(OCC(=O)Nc3ccc(C)cc3C)cc2)C1 6879906 QFIBSSUNZHRSBV-GOSISDBHSA-N 423.513 3.200 0 40 HGAB CCn1c(CCC(=O)Nc2ccc(F)cc2)nc2cc(S(=O)(=O)N(C)C)ccc21 6908084 JCDJXTJENMATCE-UHFFFAOYSA-N 418.494 3.017 0 40 HGAB O=C(NC[C@@H]1COc2ccccc2O1)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 7058358 CCVAXZSBHZGVNK-FUHWJXTLSA-N 414.889 3.148 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2ccnn2Cc2cccs2)cc1 7793898 VROZXJSKHGTLHC-UHFFFAOYSA-N 418.544 3.276 0 40 HGAB COc1ccc(-c2nnc(SCC(=O)N(C)Cc3ccc(C)cc3C)n2N)cc1 7830453 MDQVYGREKLVSHE-UHFFFAOYSA-N 411.531 3.035 0 40 HGAB CCCOC(=O)c1ccc(N2C[C@@H](C(=O)O[C@H](C)C(=O)c3ccccc3)CC2=O)cc1 7881374 MNSCSCLODJIBJR-APWZRJJASA-N 423.465 3.421 0 40 HGAB COc1ccc(/C=C/C(=O)N[C@H](C)C(=O)OCc2nnc(-c3ccccc3)o2)cc1 7976767 UZCIPTLUZBTYOZ-NRMKIYEFSA-N 407.426 3.007 0 40 HGAB O=S(=O)(NCc1ccc(CN2CCCCC2)cc1)c1ccc2c(c1)OCCCO2 8156336 AWENFUPNLYOOBK-UHFFFAOYSA-N 416.543 3.312 0 40 HGAB Cc1nn(C)c(C)c1NC(=O)CNC(=O)c1c(-n2cccc2)sc2c1CCCC2 8262501 AUBCJFAFETUIPN-UHFFFAOYSA-N 411.531 3.136 0 40 HGAB COc1ccc(-c2noc(CN3C(=O)N[C@]4(CCCc5sccc54)C3=O)n2)cc1 8315386 KLVWZUNHYBPYAT-FQEVSTJZSA-N 410.455 3.090 0 40 HGAB O=C1NC2(CCCCC2)C(=O)N1CC(=O)N1c2ccccc2OC[C@@H]1c1ccccc1 8394611 LHOGGWJWJHXXIH-LJQANCHMSA-N 419.481 3.408 0 40 HGAB Cc1cccc(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@@]4(C(=O)Nc5c(Cl)cccc54)[C@@H]3C2=O)c1 9446438 RZRFQEFWANJFIU-DDOIHHOZSA-N 421.884 3.080 0 40 HGAB C[C@@H](C(=O)N1CCc2ccccc21)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 9883887 VFWHSFBQDNSLRV-INIZCTEOSA-N 421.497 3.044 0 40 HGAB O=C(Nc1ccccc1)C1CCN(C(=O)CC[C@@H]2Cc3ccccc3NC2=O)CC1 11331528 RFJNOLPRTYKLEK-LJQANCHMSA-N 405.498 3.455 0 40 HGAB Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)NCc1nnc2n1CCCCC2 11542401 COGYULRFQROMJJ-UHFFFAOYSA-N 417.517 3.066 0 40 HGAB COc1ccccc1-c1ccnc(-n2ncc(C(=O)NCCc3ccncc3)c2C)n1 12031813 DZQBQHNTTHYHJR-UHFFFAOYSA-N 414.469 3.014 0 40 HGAB O=C1N[C@@H](CC(=O)N2CCC(c3ncncc3-c3ccncc3)CC2)c2ccccc21 12118683 WSRGMPBJBRENAY-NRFANRHFSA-N 413.481 3.119 0 40 HGAB CC(C)c1cc(C(=O)N2CCC[C@H](c3cc(C(F)(F)F)n4ncnc4n3)C2)[nH]n1 12126594 QAJTXMFHPHHYQD-NSHDSACASA-N 407.400 3.009 0 40 HGAB Cc1cccn2c(NC(C)(C)C)c(C3CCN(C(=O)[C@@H]4CC(=O)N(C)C4)CC3)nc12 12128021 SDIRGSWMFPOIFU-QGZVFWFLSA-N 411.550 3.037 0 40 HGAB Cn1cc(OCc2ccc(F)cc2)c(=O)cc1C(=O)Nc1ccc2c(c1)OCCO2 12166528 BAHQBSSGQFCXSQ-UHFFFAOYSA-N 410.401 3.127 0 40 HGAB O=C(Cc1c(F)cccc1Cl)N1CCC[C@H](c2noc(-c3cnccn3)n2)C1 12187631 LIQWJPNVWKVMNG-LBPRGKRZSA-N 401.829 3.268 0 40 HGAB O=S1(=O)c2ccccc2[C@H](O)[C@@H](Cc2ccccn2)N1CCCc1ccccc1 12323136 OHFHLWCPEHZFDL-GGAORHGYSA-N 408.523 3.363 0 40 HGAB C[C@H](NC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)c1ccc2c(c1)OCCO2 12790999 AUKUNEXOWGSWCU-HNNXBMFYSA-N 412.461 3.327 0 40 HGAB CCc1nnc2sc(-c3ccc(CNC(=O)COc4ccccc4F)cc3)nn12 12856975 FARCOMSZTWUPPS-UHFFFAOYSA-N 411.462 3.250 0 40 HGAB NC(=O)c1cc(-c2csc(NC(=O)COc3ccc(Br)cc3)n2)c[nH]1 12877074 WDKXJJZLSANWDA-UHFFFAOYSA-N 421.276 3.017 0 40 HGAB Cc1cnn(CC(=O)N2CCCC[C@@H]2c2cc3nc(C)cc(C(F)(F)F)n3n2)c1 13225465 CLTJWKKYJSPWQF-OAHLLOKOSA-N 406.412 3.315 0 40 HGAB COc1cc(C(=O)Nc2c(C)cc(C)cc2C)c(N(C)S(C)(=O)=O)cc1OC 13582717 QPBCVOLXTVBGNN-UHFFFAOYSA-N 406.504 3.277 0 40 HGAB CC[C@H](C(=O)Nc1ccc2c(c1)OCCO2)N(c1ccc(Cl)cc1)S(C)(=O)=O 13714601 FSKXRMFOKXDXPI-MRXNPFEDSA-N 424.906 3.295 0 40 HGAB COc1ccc(OCCCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 14829044 SXKBIMUSWGDLKW-UHFFFAOYSA-N 418.515 3.277 0 40 HGAB C[C@H](Sc1ccccc1Br)C(=O)Nc1cccc(S(N)(=O)=O)c1 16549025 JODNLTPESDHBAZ-JTQLQIEISA-N 415.334 3.216 0 40 HGAB C[C@H]1C[C@H](C)CN(c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)c3nonc23)C1 17087481 GOAMGRZOIONLKP-YHUYYLMFSA-N 406.552 3.372 0 40 HGAB Cc1nc([C@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccccn2)cc(N(C)C)n1 19240904 JRBKGOUTBVMPRP-FQEVSTJZSA-N 400.486 3.441 0 40 HGAB CC(C)c1nc(N2CCC(NC(=O)c3ccccn3)CC2)ncc1-c1ccncc1 19451657 PCIUGRHPLADHTE-UHFFFAOYSA-N 402.502 3.456 0 40 HGAB CCOc1cc(CN2CC[C@H](c3cc(=O)[nH]c(-c4ccncc4)n3)C2)ccc1OC 19531908 DJQCRVSTTDXOAY-SFHVURJKSA-N 406.486 3.229 0 40 HGAB C[C@@H](CCN1CCC(Cc2nn(C)cc2C(=O)N2CCOCC2)CC1)c1ccccc1 19756406 PGOOJKVOQWJEAV-FQEVSTJZSA-N 424.589 3.341 0 40 HGAB O=C(NCCSCc1ccccc1)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 19868738 GWFIJKQAOZICRD-KRWDZBQOSA-N 424.613 3.198 0 40 HGAB COC(=O)c1cc2cc(NC(=O)CN(C3CCCCC3)S(C)(=O)=O)ccc2s1 20013306 VLZPBRHJRALVTN-UHFFFAOYSA-N 424.544 3.221 0 40 HGAB CCOc1ccccc1NC(=O)Cn1c(=O)cc(C(=O)N2CCCC2)c2ccccc21 20190229 UMKHRRPWWVKRRW-UHFFFAOYSA-N 419.481 3.275 0 40 HGAB CCOC(=O)[C@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@H]1c1cccc(C)c1 20802195 LNJHTZZPPZWEHD-UXHICEINSA-N 407.470 3.106 0 40 HGAB CC1CCC2(CC1)NC(=O)N(CN1CCN(Cc3cccc4ccccc34)CC1)C2=O 22775562 HXZBVRXDHCTBMQ-UHFFFAOYSA-N 420.557 3.416 0 40 HGAB C[C@H](NC(=O)COC(=O)c1cccnc1SC(F)F)c1ccc2c(c1)OCO2 23078784 HHWAFLRANXBMOQ-JTQLQIEISA-N 410.398 3.159 0 40 HGAB Cc1cccc2c(=O)n(CCC(=O)N3CCN(Cc4cccc(Cl)c4)CC3)cnc12 27104989 ZXPDZUAJXPYVRQ-UHFFFAOYSA-N 424.932 3.093 0 40 HGAB COc1ccc(OC)c(S(=O)(=O)N[C@H](C)c2cnn(-c3ccc(F)cc3)c2C)c1 32808825 XJYRGIJWILRWTI-CYBMUJFWSA-N 419.478 3.377 0 40 HGAB CCOc1ccc(N2C[C@H](C(=O)N[C@@H](CC(=O)OC)c3ccc(C)cc3)CC2=O)cc1 32821066 LICTZCIQWDIRQX-NQIIRXRSSA-N 424.497 3.167 0 40 HGAB CC[C@H](C)NC(=O)c1ccccc1NS(=O)(=O)c1ccc2oc(=O)ccc2c1 32908770 IJIAAEWASPABDH-ZDUSSCGKSA-N 400.456 3.122 0 40 HGAB O=C(NCc1cc(-c2ccc(F)cc2)on1)c1ccccc1S(=O)(=O)C(F)F 38582158 IZGAGPBXHFXYTF-UHFFFAOYSA-N 410.373 3.407 0 40 HGAB Cc1ccc(CNC(=O)C2CCN(C(=O)c3ccc4c(c3)CCC(=O)N4)CC2)cc1F 40113987 SXSSHVWZVBMTSX-UHFFFAOYSA-N 423.488 3.187 0 40 HGAB O=C(CSCc1ccc(F)cc1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 44900071 ALGGBRPYSWRNJG-UHFFFAOYSA-N 408.520 3.482 0 40 HGAB CN(c1ccccc1C(=O)NCCOc1ccc(C(C)(C)C)cc1)S(C)(=O)=O 55427552 LKTVBPMXYMIBLP-UHFFFAOYSA-N 404.532 3.189 0 40 HGAB O=S(=O)(NCCN1CCN(c2ccccc2F)CC1)c1cccc2ccccc12 56997692 MUMJZWXXMWONCY-UHFFFAOYSA-N 413.518 3.079 0 40 HGAB COCCn1c(SCC(=O)N[C@H]2CCc3ccccc32)nc2ccsc2c1=O 57425910 FFANESUURGDENQ-HNNXBMFYSA-N 415.540 3.000 0 40 HGAB C[C@@H](CNc1cnn(-c2ccc(C(F)(F)F)cn2)c(=O)c1Cl)Cn1ccnc1 60380083 FTYIEJXIOZYLGB-NSHDSACASA-N 412.803 3.244 0 40 HGAB Cc1ccc(C)c([C@@H]2NC(=O)N(CC(=O)Nc3c(C)cccc3C)C3=C2C(=O)OC3)c1 67288744 SVJLQJNQWRINRJ-QFIPXVFZSA-N 419.481 3.436 0 40 HGAB Cc1ccccc1CC(=O)Nc1cc(N2CCN(Cc3ccccc3)CC2)ncn1 77200565 QLZYWWFMPWQSOV-UHFFFAOYSA-N 401.514 3.288 0 40 HGAB Cc1c(I)ccc(=O)n1Cc1csc(-c2ccccn2)n1 89536847 ICSDELRHRXSSKV-UHFFFAOYSA-N 409.252 3.328 0 40 HGAB COc1ccc(OC)c(-n2c(SC(C(C)=O)C(C)=O)nc3ccccc3c2=O)c1 102188331 GLZLDAHRDXRRPD-UHFFFAOYSA-N 412.467 3.042 0 40 HGAB CN(c1cccc(C(=O)NCCSCc2cccc(Cl)c2)c1)S(C)(=O)=O 222408193 WDESVESCZHRJKI-UHFFFAOYSA-N 412.964 3.399 0 40 HGAB COC(=O)c1cn(C(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)c2ccccc12 222581331 VZWXBDISZIYGRN-UHFFFAOYSA-N 420.874 3.188 0 40 HGAB Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)s1 223168246 JWCJEZOMUXUWBV-RBUKOAKNSA-N 402.589 3.146 0 40 HGAB Cc1ccc(C)c(OCCNC(=O)CCCN(c2ccccc2F)S(C)(=O)=O)c1 224038323 UNRPEVAFTXKNLW-UHFFFAOYSA-N 422.522 3.184 0 40 HGAB CN(CCCC(=O)NCc1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1 224118795 OQPMCEVOUQUNAP-UHFFFAOYSA-N 414.449 3.423 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)Nc1ccc(F)c(F)c1 224325653 IZTQOSXOSCMCKR-UHFFFAOYSA-N 424.469 3.329 0 40 HGAB Cc1ccc(N(CC(=O)Nc2ccc(OC(F)(F)F)cc2)S(C)(=O)=O)cc1 224860914 QSLJXAFHFBBFTN-UHFFFAOYSA-N 402.394 3.298 0 40 HGAB COc1ccc(Cl)cc1NC(=O)C[C@H](NS(C)(=O)=O)c1ccc(F)cc1 225946594 AVMTXLFSVAVZPH-AWEZNQCLSA-N 400.859 3.107 0 40 HGAB COc1cccc(CNC(=O)[C@H]2C[C@H]3CC[C@H]2C[C@@]32NC(=O)c3ccccc3O2)c1 247891947 MUUUQLQTIJADFU-NPGKMWDHSA-N 406.482 3.266 0 40 HGAB COCc1ccc(OC)c(CN2CCO[C@@H](c3cccc(Nc4ncccn4)n3)C2)c1 257274269 NKGOKFHYGSEICL-OAQYLSRUSA-N 421.501 3.344 0 40 HGAB CCc1onc(C)c1-c1cccc([C@H]2CN(C(=O)CCn3ccc(C)n3)CCO2)n1 257321014 VZRSRGHDSPGNGS-HXUWFJFHSA-N 409.490 3.103 0 40 HGAB Cc1cc(C(=O)NCC[C@H]2OCC[C@@]34C[C@@H](C[C@H]23)C(C)(C)[C@@H]4NC(=O)C(C)C)no1 257331872 XUQAAPPFEOTVGO-UUMOZXFHSA-N 417.550 3.085 0 40 HGAB CN(C)c1cccc(C(=O)N2CCO[C@@]3(CCCC[C@@H]3NCc3cccnc3)C2)c1 306128749 HJMUWFBUXRTCGW-UPVQGACJSA-N 408.546 3.091 0 40 HGAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCC(C)CC3)C2)cc1C 408559021 KXPZIAVMCLLXTO-GOSISDBHSA-N 408.564 3.053 0 40 HGAB Cn1c(CNC(=O)c2ccccc2)nnc1SCC(=O)Nc1ccccc1Cl 409329655 HDDBBHHKLWHHSQ-UHFFFAOYSA-N 415.906 3.129 0 40 HGAB Cn1nccc1/C=C/C(=O)N1CCC[C@@H](Cc2cccc(Nc3ccccn3)n2)C1 585291644 DWACZDGKLFNZSX-ZGKFYVQTSA-N 402.502 3.448 0 40 HGAB CC(C)(C)N1C[C@H](NC(=O)CCn2ccc3ccc(Br)cc32)CC1=O 1565524541 KFWZFGSTSLCUQH-OAHLLOKOSA-N 406.324 3.310 0 40 HGAB Brc1cnc(OC[C@H]2CCCN(c3cnc4ccccc4n3)C2)nc1 1775970027 XTSFXHDRPBYSHC-ZDUSSCGKSA-N 400.280 3.478 0 40 HGAB COC(OC)C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(C(C)(C)C)C(=O)[C@H]12 712322 SKWPXXIGEJKHRT-PXRUUTNOSA-N 405.494 3.450 0 40 HGAB COc1ccc(Cl)cc1NC(=O)CN(c1ccccc1Cl)S(C)(=O)=O 869393 PZYNALLPRZEHNW-UHFFFAOYSA-N 403.287 3.407 0 40 HGAB COC(=O)c1ccc([C@@H]2NC(=O)N(C)C(C)=C2C(=O)OCCOc2ccccc2)cc1 2057823 OFPDHBVLNSZYLY-FQEVSTJZSA-N 424.453 3.066 0 40 HGAB COc1ccc(-n2nc3c(c2NC(=O)c2cccc(Cl)c2)CS(=O)(=O)C3)cc1 3009370 KLZWPCBTLWSTKN-UHFFFAOYSA-N 417.874 3.215 0 40 HGAB COCCCNC(=O)c1ccc2c(=O)n(Cc3ccc(Cl)cc3)c(S)nc2c1 3043830 GNOKHMGLRUDVDK-UHFFFAOYSA-N 417.918 3.153 0 40 HGAB CCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)/C=C/c3ccccc3)cc2)CC1 4121745 WEUMHIXREIDXJR-MDWZMJQESA-N 422.554 3.272 0 40 HGAB CNC(=S)N(CCc1ccccc1C)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 4160482 ONECMDGGMAPRRX-UHFFFAOYSA-N 409.511 3.114 0 40 HGAB CC1CCN(C(=O)CSc2ncnc3c2nnn3Cc2ccc(Cl)cc2)CC1 4166549 JNAZOCSQIWYAIY-UHFFFAOYSA-N 416.938 3.274 0 40 HGAB CCc1cccc(CC)c1NC(=O)COC(=O)[C@H]1CC(=O)N(c2ccccc2OC)C1 4512487 KREFZEZZWJNJEA-SFHVURJKSA-N 424.497 3.355 0 40 HGAB CC(C)(C)NC(=O)[C@H](c1ccccn1)N(CCc1ccccc1)C(=O)c1csnn1 4858798 PZIHGPPXWZPHIV-IBGZPJMESA-N 423.542 3.274 0 40 HGAB CCS(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C)C3)cc1 5241785 OFDFTTPSWBUZQL-LLVKDONJSA-N 406.529 3.018 0 40 HGAB CCS(=O)(=O)c1cccc(C(=O)N(CCN(C)C)c2nc3ccccc3s2)c1 5242516 KYDUCBGHMAUSPQ-UHFFFAOYSA-N 417.556 3.298 0 40 HGAB O=C1CCC(C(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)=NN1 5831317 VUCODHDCWLEFKJ-UHFFFAOYSA-N 404.348 3.162 0 40 HGAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)COC(=O)c1cnccn1 6486424 QXCYMJSCIIOUCE-UHFFFAOYSA-N 411.439 3.177 0 40 HGAB O=C(OCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1)c1cnccn1 6486522 VPGANEOQGXKNOF-KRWDZBQOSA-N 410.817 3.258 0 40 HGAB COc1ccc(NC(=O)[C@H]2CC2(Cl)Cl)cc1S(=O)(=O)N1CCCCC1 6887329 UEACEKQPFYABAW-GFCCVEGCSA-N 407.319 3.002 0 40 HGAB Cc1ccc(NC(=O)CN(C)C(=O)CSc2nnc(-c3ccoc3C)o2)cc1 7194009 FMDGSVZNSHIPHZ-UHFFFAOYSA-N 400.460 3.136 0 40 HGAB Cc1ccc(-c2noc(CN3C(=O)N[C@@H](Cc4c[nH]c5ccccc45)C3=O)n2)cc1 8190188 PAWBWNGXSNXSPS-SFHVURJKSA-N 401.426 3.189 0 40 HGAB O=C(COC(=O)c1ccccn1)Nc1ccc(Br)cc1Br 8882566 KFPRALYHTGJSET-UHFFFAOYSA-N 414.053 3.402 0 40 HGAB O=C(Cn1c(=O)n(Cc2ccncc2)c(=O)c2ncccc21)c1ccc2ccccc2c1 9001493 DPGDZDBEFCAFLB-UHFFFAOYSA-N 422.444 3.038 0 40 HGAB COc1ccc2nc(C)cc(N(C)CC(=O)Nc3ccc(N4CCOCC4)cc3)c2c1 9220951 GOMIBGBSIZKNFI-UHFFFAOYSA-N 420.513 3.463 0 40 HGAB CC(C)Cn1c(SCC(=O)N2CC(=O)Nc3ccccc32)nc2ccccc2c1=O 9631760 NRMZSOQNOSROHR-UHFFFAOYSA-N 422.510 3.130 0 40 HGAB Cc1ccc(C(=O)C(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)cc1 9951235 ARJVZRHISYFLMI-UHFFFAOYSA-N 406.891 3.254 0 40 HGAB Cn1c(=O)c2c(nc3n(Cc4cccc(Cl)c4)c(-c4ccccc4)cn23)n(C)c1=O 10102077 YFHRFQZUMBNWAE-UHFFFAOYSA-N 419.872 3.055 0 40 HGAB COc1ccccc1OCC(=O)N1CCC[C@@H](c2nc3ccccc3cc2C(N)=O)C1 12255748 JWFGBTIJHZFDCV-QGZVFWFLSA-N 419.481 3.127 0 40 HGAB O=C(N[C@H](Cc1ccccc1)C(=O)N1CCN(c2ccccc2)CC1)c1cccs1 12551945 JAFGWIQFZKAEQY-OAQYLSRUSA-N 419.550 3.438 0 40 HGAB C[C@@H](NC(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1)c1ccc(F)c(F)c1 12852535 PDPSARPOMQUBDM-CQSZACIVSA-N 420.435 3.131 0 40 HGAB Cc1cc(C)n(CCCC(=O)N2CCC[C@H](c3nc4ccccc4cc3C(N)=O)C2)n1 13225395 CQJOGMNFQWWBDX-IBGZPJMESA-N 419.529 3.333 0 40 HGAB CC[C@H](C(=O)Nc1cc(C(=O)OC)ccc1C)N(c1ccc(C)cc1)S(C)(=O)=O 13713470 LMVIJTCDXUHIGM-LJQANCHMSA-N 418.515 3.273 0 40 HGAB CC(C)[C@@H](NC(=O)[C@@H](C)Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1)C(=O)O 16028311 DFGVBCRALAMJNR-SPLOXXLWSA-N 409.438 3.453 0 40 HGAB biogenic COc1cc(NC(=S)N2CCN(c3ccc(F)cc3)CC2)cc(OC)c1OC 17083177 HXKGZDOUTFEDPD-UHFFFAOYSA-N 405.495 3.371 0 40 HGAB COc1ccc(Nc2nc(N)nc(CSC(=S)N3CCC(C)CC3)n2)cc1 17247366 AKLWWTNWGIQHKA-UHFFFAOYSA-N 404.565 3.456 0 40 HGAB CCOc1ccc(CC(=O)Nc2ccc3c(c2)CCCN3S(=O)(=O)CC)cc1 17307639 UNNDLJFWVKZRJK-UHFFFAOYSA-N 402.516 3.369 0 40 HGAB COc1ccc(C)cc1COC(=O)[C@]12CCC(=O)N1c1ccccc1C(=O)N2C(C)C 19355985 LZYPJILSVWEJMM-DEOSSOPVSA-N 422.481 3.434 0 40 HGAB O=C(c1ncoc1-c1ccccc1F)N1CCN(Cc2ccc3c(c2)OCO3)CC1 19368287 INOYZOMHENBATC-UHFFFAOYSA-N 409.417 3.167 0 40 HGAB CCC(C)(C)NC(=O)CN1CCC[C@H](c2c(-c3cc(C)no3)cnc3cc(C)nn23)C1 19499504 UYIDICGKYVZMDE-KRWDZBQOSA-N 424.549 3.485 0 40 HGAB COc1ccc(CN(Cc2ccnc(N3CCCC3)n2)C[C@@H]2CCCO2)c(OC)c1 19552156 FGAYABJJFNUTME-NRFANRHFSA-N 412.534 3.275 0 40 HGAB COc1ccc(-c2cc3nc([C@H](C)NC(=O)[C@H]4CCC[C@H](OC)C4)nn3cn2)cc1 19574388 DAPRARFVTOPTAE-ZVZYQTTQSA-N 409.490 3.182 0 40 HGAB Cc1nc([C@@H]2CCCN(C(=O)c3scnc3C)C2)ncc1C(=O)N1CCCCC1 19763247 MJSUQWWKGVJBIF-MRXNPFEDSA-N 413.547 3.196 0 40 HGAB O=C(N[C@]1(C(F)(F)F)N=C(c2ccccc2)N(C2CCCC2)C1=O)c1ccco1 19938865 YTGOATMIIFEOCC-LJQANCHMSA-N 405.376 3.500 0 40 HGAB C[C@@H](CCc1ccccc1)NC(=O)c1ccc(CS(=O)(=O)N2CCCC2)cc1 20104779 SSMNILQOWVPIOU-SFHVURJKSA-N 400.544 3.363 0 40 HGAB COc1ccc([C@H](c2nnnn2C(C)(C)C)N2CCN(C3CCCCC3)CC2)cc1 20139448 XNEKYYQVXBJZIX-OAQYLSRUSA-N 412.582 3.476 0 40 HGAB CCOc1ccc([C@@H]2c3c(-c4cc(C)ccc4O)n[nH]c3C(=O)N2CCCO)cc1 21148589 WZTRWWMOBWFKMT-JOCHJYFZSA-N 407.470 3.417 0 40 HGAB COc1ccc(-c2noc(CCC(=O)Nc3nnc(C(C)C)s3)n2)cc1OC 21524806 GNVRLDNAGHUTPB-UHFFFAOYSA-N 403.464 3.300 0 40 HGAB CN(C)[C@@H](CNC(=O)C(=O)Nc1ccc(F)c(Cl)c1)c1cn(C)c2ccccc12 21698432 OGXVERFNZHGDLM-IBGZPJMESA-N 416.884 3.328 0 40 HGAB CC[C@@H](NC(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O)c1ccc(C)cc1C 22368435 UWXZYRZJXOCNLP-GOSISDBHSA-N 418.515 3.066 0 40 HGAB Cc1cc(C)c2c(=O)cc(C(=O)NC[C@@H](c3ccc(C)o3)N3CCN(C)CC3)oc2c1 22938453 ZZOHPRYQMODKPN-SFHVURJKSA-N 423.513 3.030 0 40 HGAB O=C(N[C@@H]1CCSc2ccc(F)cc21)[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 24634479 UZOQOQBRPTUJOJ-MLGOLLRUSA-N 414.458 3.261 0 40 HGAB O=C(c1nc(-c2ccc(F)cc2)n2c1CCCCC2)N1CCN(c2cnccn2)CC1 25119575 KNBBBNPVFIJMQK-UHFFFAOYSA-N 420.492 3.168 0 40 HGAB COc1ccc(CSc2nnc(Nc3nccs3)c(=O)n2-n2cccc2)cc1 28535001 VBOCNWCWPPAAMR-UHFFFAOYSA-N 412.500 3.252 0 40 HGAB CCOc1ccc(N2C[C@H](C(=O)N[C@@H](c3ccccc3)c3nccn3C)CC2=O)cc1 29070902 IFQJYQVFCGKHEF-GCJKJVERSA-N 418.497 3.078 0 40 HGAB COc1ccc(CCNC(=O)[C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)cc1 32675736 OSFBFZMWIATCFN-OAHLLOKOSA-N 406.404 3.426 0 40 HGAB CC(C)[C@H](NC(=O)Nc1ccccc1)C(=O)N[C@H](C)c1ccc(-n2cncn2)cc1 32737931 SYTAGYYOSTUFSN-UZLBHIALSA-N 406.490 3.291 0 40 HGAB Cc1cc2n(CC(=O)Nc3cccc(Br)c3)c(=O)c3ccccc3n2n1 32836363 SVDLTGZBSYPZOD-UHFFFAOYSA-N 411.259 3.359 0 40 HGAB Nc1c(C(=O)NCc2ccccc2)nsc1C(=O)NCc1ccccc1Cl 33171826 JCGNRNFNWGGHLA-UHFFFAOYSA-N 400.891 3.239 0 40 HGAB Cc1ccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)N4CCN(C)CC4)cc3N2)cc1 33927163 HNWWNDJRBHIJHJ-WBVHZDCISA-N 407.440 3.239 0 40 HGAB COC(=O)c1c(C)[nH]c(C(=O)CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c1C 35436213 PWFASNSOCUEFLM-UHFFFAOYSA-N 423.435 3.442 0 40 HGAB Cc1ccc(-c2cc3c4nnc(CCC(=O)N5CCSCC5)n4ccn3n2)cc1C 38487179 PSIVMUYSLNPMQD-UHFFFAOYSA-N 420.542 3.169 0 40 HGAB COc1ccc(CCNC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)cc1OC 38848990 ZZALJISUWMLLLJ-IBGZPJMESA-N 400.494 3.414 0 40 HGAB Nn1c(SCCC(=O)Nc2ccc(Br)cc2)nnc1-c1ccco1 40122930 QYLJMIDWJBCKLW-UHFFFAOYSA-N 408.281 3.135 0 40 HGAB Cc1ccc(NC(=O)C[C@@H]2C(=O)N(C[C@@H]3CCCO3)c3nc4ccccc4n32)cc1 40372451 AYXACZFYUCLBKI-FXAWDEMLSA-N 404.470 3.440 0 40 HGAB COc1ccc(N2C[C@@H](C(=O)N[C@@H](c3nc4ccccc4[nH]3)C(C)C)CC2=O)cc1 44668976 ASJWYVMIZBEFHV-YCRPNKLZSA-N 406.486 3.438 0 40 HGAB COC(=O)c1ccc(NC(=O)[C@H]2CCCN(c3nc4ccccc4nc3OC)C2)cc1 44803519 ISFPAIAZRDSHOG-INIZCTEOSA-N 420.469 3.280 0 40 HGAB C[C@@H](NC(=O)C1CCN(Cc2ccccc2)CC1)c1ccc(S(C)(=O)=O)cc1 44857114 QQVWSEQSLUQBCX-QGZVFWFLSA-N 400.544 3.180 0 40 HGAB Cc1nccn1-c1cc(CNC(=O)Nc2cccc(OCCn3cccn3)c2)ccn1 48311342 NAIXYUQNZUIXCL-UHFFFAOYSA-N 417.473 3.173 0 40 HGAB Cc1ccc(C)c(NC(=O)Cn2ncn3nc(-c4cc(C)ccc4C)cc3c2=O)c1 51317023 IAPFYGGADQDSBF-UHFFFAOYSA-N 401.470 3.430 0 40 HGAB COc1cc(C(=O)N2CCC[C@H](c3nc(C)no3)C2)cc(OC)c1Br 54662054 OSSSUWVTJMAOEK-NSHDSACASA-N 410.268 3.178 0 40 HGAB CCOC(=O)CN(CC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1)CC1CC1 58133482 GYBLCTROCQDQOH-UHFFFAOYSA-N 409.458 3.302 0 40 HGAB COc1ccc(NC(=O)[C@@H](C)OC(=O)c2csc(-c3ccccn3)n2)cc1OC 58161271 LUYIAVUKCNJZDD-GFCCVEGCSA-N 413.455 3.406 0 40 HGAB Cc1cc(C(=O)O)c(O)c(S(=O)(=O)Nc2ccc(F)cc2Br)c1 58391604 MVHOICYNEQQOPX-UHFFFAOYSA-N 404.213 3.101 0 40 HGAB NC(=O)[C@H](NC(=O)c1cc(-c2ccccc2)on1)c1cccc(Br)c1 58751384 APZIUHAFHLNHKD-MRXNPFEDSA-N 400.232 3.061 0 40 HGAB COCCN1CC[C@@H](CNC(=O)C2(c3ccc(Br)cc3)CCCC2)C1 65505303 HVCHBEIWSQJAKX-INIZCTEOSA-N 409.368 3.345 0 40 HGAB O=C(Nc1nccs1)[C@@H]1CCCN1C(=O)Cc1cc(Cl)c2c(c1)OCCCO2 69453335 RLQLMANBHGIPKB-AWEZNQCLSA-N 421.906 3.130 0 40 HGAB CN(Cc1cnn(C)c1)C(=O)Nc1ccccc1S(=O)(=O)N(C)C1CCCCC1 72289569 KGMFQOJFMBMMAL-UHFFFAOYSA-N 419.551 3.037 0 40 HGAB CC(C)(C)OC(=O)N1CCC[C@@]2(CCCN(C(=O)Cn3nnc4ccccc43)C2)C1 72342246 YVWTYUNEDFEPMB-JOCHJYFZSA-N 413.522 3.071 0 40 HGAB C[C@H](CS(C)(=O)=O)N(C(=O)Nc1ccccc1OC[C@@H]1CCCCO1)C1CC1 89904093 ZLSZLNHTBFAZQF-WBVHZDCISA-N 410.536 3.064 0 40 HGAB Cc1n[nH]c(-c2ccc(Cl)cc2)c1CC(=O)N1CCN(CCc2ccccn2)CC1 95479269 WMOIQCNSCDIPLB-UHFFFAOYSA-N 423.948 3.363 0 40 HGAB CCN(CC)C(=O)C[C@H]1CC2(CCN(S(=O)(=O)C3CC3)CC2)c2ccccc21 96053074 DLBWPEGFNKXHBL-KRWDZBQOSA-N 404.576 3.258 0 40 HGAB CCCc1nn(-c2nc3ccccc3[nH]2)c(O)c1[C@H]1CC(=O)N(c2ccccc2)C1=O 100069189 BUYMPSFDXRDWOB-OAHLLOKOSA-N 415.453 3.454 0 40 HGAB Cc1ccc(C(=O)COc2ccc(NC(=O)[C@@H]3[C@@H]4C[C@H]5OC(=O)[C@H]3[C@H]5C4)cc2)cc1 100646763 OASUXXJVOJAEPK-LAFXMNEOSA-N 405.450 3.393 0 40 HGAB CC(C)c1ccc(NC(=O)[C@@H]2CC(=O)Nc3[nH]c(N4CCCC[C@@H]4C)nc(=O)c32)cc1 139087565 FIPMOWCVNGAYCI-WMLDXEAASA-N 423.517 3.337 0 40 HGAB CC[C@H](C(=O)NCCN(C)c1ccccc1)N(c1ccc(Cl)cc1)S(C)(=O)=O 219108165 NZNHDZYETIEILW-LJQANCHMSA-N 423.966 3.137 0 40 HGAB COc1cccc(N(CCCC(=O)NCCCc2cccc(C)c2)S(C)(=O)=O)c1 222595091 DBMPYTMYERIXGH-UHFFFAOYSA-N 418.559 3.299 0 40 HGAB COc1ccc(C(=O)NCc2cccc3ccccc23)cc1S(=O)(=O)NC(C)C 222899577 PQXLJBBWFBLTCI-UHFFFAOYSA-N 412.511 3.465 0 40 HGAB COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)N(c1cccc(Cl)c1)S(C)(=O)=O 222912632 XRVBNYXFDLMXSF-ZIAGYGMSSA-N 410.923 3.381 0 40 HGAB CCCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)COc1ccc(OC)cc1 223515235 GVPFQJZLNINGGW-LJQANCHMSA-N 412.530 3.450 0 40 HGAB COC(=O)c1cc(S(=O)(=O)Nc2nnc(-c3ccc(OC)cc3)s2)ccc1C 224535334 SSQLBHIBRHLWSR-UHFFFAOYSA-N 419.484 3.110 0 40 HGAB CCc1ccc(OCCNC(=O)CCCN(c2ccc(C)cc2)S(C)(=O)=O)cc1 224629163 UMYOGFYQCHOKIT-UHFFFAOYSA-N 418.559 3.299 0 40 HGAB COc1cc(C)c(S(=O)(=O)NCc2nc(-c3cccc(Cl)c3)no2)cc1C 224881724 PNNUGKDTSRZOPX-UHFFFAOYSA-N 407.879 3.494 0 40 HGAB COc1ccc(-c2noc(C(=O)N3CCN(Cc4ccccc4)CC3)c2[C@H](C)O)cc1 253405535 SOXNPNOQYXCJTJ-KRWDZBQOSA-N 421.497 3.362 0 40 HGAB biogenic,in-vitro C[C@@H](Oc1ccc(F)cc1)C(=O)N1CCC(c2cncc(Nc3cnccn3)n2)CC1 257206170 BCEAQPXRXDBIEI-OAHLLOKOSA-N 422.464 3.323 0 40 HGAB Cc1nc(C(=O)N2CCO[C@@H](c3nnn4cc(-c5cccs5)ccc34)C2)cs1 306129409 ICDZSSYAODSROD-MRXNPFEDSA-N 411.512 3.436 0 40 HGAB COc1ccc2cc(C(=O)N3CC[C@@H](c4cccs4)S(=O)(=O)CC3)[nH]c2c1 390830918 OIRGDSBACXSEJG-SFHVURJKSA-N 404.513 3.240 0 40 HGAB O=C(NCc1nnc2n1C[C@@H](C(F)(F)F)CC2)c1cc(-c2ccc(F)cc2)c[nH]1 390832293 YLNBOIZQGOXDDX-ZDUSSCGKSA-N 407.371 3.467 0 40 HGAB COC(=O)COc1ccc(S(=O)(=O)N[C@@H](C)CCc2ccccc2)cc1Cl 408582901 FTUYMRNZGLMRRJ-AWEZNQCLSA-N 411.907 3.191 0 40 HGAB O=C(NCc1ccn(Cc2ccccc2)n1)[C@H]1CCCN(C(=O)Nc2ccccc2)C1 556482254 TUVSSMZBQHMVBS-FQEVSTJZSA-N 417.513 3.492 0 40 HGAB O=C1c2ccccc2CN1CC(=O)N1CCCC2=C[C@H]3C[C@@H](CN4CCCC[C@H]34)[C@@H]21 583647649 YANKGUFDQNGLKJ-CXFRRJOOSA-N 405.542 3.064 0 40 HGAB biogenic C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)Cn1ccc2ccc(Cl)cc21 605138721 GFGHLHSXWLTBNA-KRWDZBQOSA-N 411.937 3.017 0 40 HGAB Brc1ccc2ncnc(N3CCC[C@H](COc4cnccn4)C3)c2c1 2298229059 VPGXOATVAQIVPJ-ZDUSSCGKSA-N 400.280 3.478 0 40 HGAB CC(C)c1ccc(N(CC(=O)NC[C@H]2CCCO2)S(=O)(=O)c2ccccc2)cc1 886347 ZIWJGNFNRLLUOD-HXUWFJFHSA-N 416.543 3.301 0 40 HGAB CCOC(=O)C1=C(c2ccc(Cl)cc2)Sc2nnc(C(F)(F)F)n2N=C1N 1084262 IYAATEAWKHJKIG-UHFFFAOYSA-N 417.800 3.151 0 40 HGAB O=C1[C@@H]2Cc3c([nH]c4ccccc34)[C@H](c3ccccc3)N2C(=O)CN1C[C@@H]1CCCO1 2091991 FEFBOIZHIIZPLT-JBUDQFAYSA-N 415.493 3.032 0 40 HGAB biogenic NS(=O)(=O)c1ccc(NC(=O)COc2c(Cl)cc(Cl)cc2Cl)cc1 3268284 DTSRPAZDVLGANB-UHFFFAOYSA-N 409.678 3.312 0 40 HGAB COc1cccc(Nc2nnc(SCC(=O)NC(=O)NC3CCCC3)s2)c1 3439462 NOTMDOLRUXSQGL-UHFFFAOYSA-N 407.521 3.151 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3cccnc3)cs2)cc1 4138496 CUHLGMNEPOLDQJ-UHFFFAOYSA-N 416.528 3.488 0 40 HGAB O=C(Nc1nnc(SCc2ccccn2)s1)[C@@H]1CC(=O)N(c2ccccc2)C1 4271775 YRENSKJNKPLNPY-CYBMUJFWSA-N 411.512 3.217 0 40 HGAB O=C(CSc1ncnc2c1nnn2-c1ccccc1)N1CCCc2ccccc21 4273668 HYWBWFCVAQZELC-UHFFFAOYSA-N 402.483 3.282 0 40 HGAB COC(=O)c1ccc2c3c(cccc13)C(=O)N(CCc1ccc(OC)c(OC)c1)C2=O 4785300 UQGKJUVMLLBQKI-UHFFFAOYSA-N 419.433 3.482 0 40 HGAB COc1cc(CCC(=O)OCC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)cc(OC)c1OC 4806462 PWSFFFOPVWYZFN-ZMSDIMECSA-N 407.507 3.129 0 40 HGAB CC(=O)C[C@]1(O)C(=O)N(CCOc2cccc(C)c2)c2ccc(Br)cc21 4988119 VGZOAYNLFXEBGF-HXUWFJFHSA-N 418.287 3.350 0 40 HGAB CCCOc1ccccc1C(=O)N(Cc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 5529092 WTWFGIAOPWFLMP-GOSISDBHSA-N 405.491 3.444 0 40 HGAB C[C@@H](Sc1nnc(-c2cccnc2)n1N)C(=O)Nc1cccc(Cl)c1Cl 5860616 DDSAAKWVJTUDSM-SECBINFHSA-N 409.302 3.480 0 40 HGAB CC(=O)c1ccc(N2CCN(C(=O)[C@H](C)NC(=O)c3ccccc3Cl)CC2)cc1 6320197 UJSKUEZODATTCW-HNNXBMFYSA-N 413.905 3.010 0 40 HGAB O=C(COc1ccc(S(=O)(=O)NC2CCCCC2)cc1)NCCc1ccccc1 6889756 GHEPWASXMVOGCZ-UHFFFAOYSA-N 416.543 3.035 0 40 HGAB CCn1nc(C(=O)N(C)Cc2ccc(OC(F)F)c(OC)c2)c2ccccc2c1=O 6940717 PAOLPHSITOPHHP-UHFFFAOYSA-N 417.412 3.299 0 40 HGAB COc1cccc(N2C[C@@H](C(=O)Nc3cc(OC)c(Cl)cc3OC)CC2=O)c1 8247830 QWWDGRJUFNJJED-LBPRGKRZSA-N 404.850 3.357 0 40 HGAB O=C(NCc1ccccc1)[C@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(-c2ccc(F)cc2)nn1 8298198 YNTRRQCZJFQHJC-NNWRFLSQSA-N 419.504 3.111 0 40 HGAB biogenic,in-vitro Cc1cccc(C)c1NC(=O)CN(C)C(=O)C[C@H](NC(N)=O)c1ccc(Cl)cc1 8312614 XHHHPFUTZZFJFL-KRWDZBQOSA-N 416.909 3.153 0 40 HGAB O=C(c1cc2ccccc2oc1=O)N(c1ccc(Cl)cc1)[C@@H]1C=CS(=O)(=O)C1 8684499 UNHNGUVNGRQMDU-MRXNPFEDSA-N 415.854 3.404 0 40 HGAB C[C@H](Sc1nnc(Cc2ccccc2F)n1N)C(=O)Nc1ccc2c(c1)CCC2 8753582 DLDIFUDSISERLO-ZDUSSCGKSA-N 411.506 3.330 0 40 HGAB C[C@@H](Sc1nc(O)c2cnn(-c3ccccc3)c2n1)C(=O)NCc1ccccc1 8855949 KKQWQMBPWLARAF-CQSZACIVSA-N 405.483 3.318 0 40 HGAB Cc1ccc(-n2nc(C)c(NC(=O)CN3C(=O)CC4(CCCCC4)C3=O)c2C)cc1 9454031 JYHISSXPCWPBFX-UHFFFAOYSA-N 408.502 3.445 0 40 HGAB CC(C)[C@H](NS(=O)(=O)c1ccccc1)C(=O)N1CCc2[nH]c3ccccc3c2C1 9902232 YDURATNJPOTIJI-NRFANRHFSA-N 411.527 3.056 0 40 HGAB COc1ccccc1[C@@H]1c2c(-c3ccc(Cl)cc3)nnc(O)c2Nc2nnnn21 10232685 HRFRMMCTXXXXND-QGZVFWFLSA-N 407.821 3.192 0 40 HGAB CCOc1ccc(CC(=O)N2CCN(c3nccn3-c3ccc(C)cc3)CC2)cc1 11027477 GBRVUGAEZJIMLX-UHFFFAOYSA-N 404.514 3.471 0 40 HGAB CCCc1cc(O)nc(S[C@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)n1 11443474 CHYOTGXUCXQQOI-CQSZACIVSA-N 402.520 3.091 0 40 HGAB CN(C)C(=O)CSc1[nH]c(-c2ccccc2)nc1S(=O)(=O)c1ccccc1 11695888 NSSKTCNULHDOEN-UHFFFAOYSA-N 401.513 3.090 0 40 HGAB COc1cccc(NC(=O)CSc2nnc(N3CCCC3)n2Cc2ccco2)c1 11988053 VVHXRNQLWDXTHV-UHFFFAOYSA-N 413.503 3.259 0 40 HGAB Cc1nc(COc2ccc(C(=O)O[C@@H](C)C(=O)N3CCc4ccccc43)cc2)no1 12073442 UJBMELNLFJAIHY-AWEZNQCLSA-N 407.426 3.092 0 40 HGAB Cc1ccc(C2=NN(CC(=O)N3CCCC3)C(=O)c3cc4ccccc4n3C2)cc1 12113615 VAMKHLDNAWMGRO-UHFFFAOYSA-N 400.482 3.432 0 40 HGAB COc1ccc2c(c1)O[C@]1(C[C@H]3CC[C@@H]1C[C@@H]3C(=O)NCc1ccccc1F)NC2=O 12185297 BQMNYYYNDCZDBI-KYOQCLCCSA-N 424.472 3.405 0 40 HGAB COc1ccc(C(=O)C2CCN(C(=O)CNC(=O)c3cc(C)cc(C)c3)CC2)cc1 12741740 OZENRMUFNGNWFC-UHFFFAOYSA-N 408.498 3.163 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(Br)c(C(=O)N2CCC(C)CC2)c1 12801981 FDKSBTYWPDVPOW-UHFFFAOYSA-N 417.369 3.352 0 40 HGAB Cc1sc2ncn(NC(=O)[C@@H]3CC(=O)N(c4cccc(C(C)C)c4)C3)c(=O)c2c1C 13011670 UDXHVXQQHVZLBW-MRXNPFEDSA-N 424.526 3.321 0 40 HGAB CC[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)N(c1cccc(Cl)c1)S(C)(=O)=O 13712443 CKUXEFWUQVLJKC-INIZCTEOSA-N 424.906 3.295 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)s1 14240875 NTPKNJMIZUJLGW-UHFFFAOYSA-N 418.462 3.222 0 40 HGAB Cc1cc(C)c(S(=O)(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)c(C)c1 14870426 NAXDHJCQUCMPBX-QGZVFWFLSA-N 402.516 3.321 0 40 HGAB COc1ccc([C@H]2CCCN2CC(=O)N2CCN(CCOc3ccccc3)CC2)cc1 15300700 DUCGDSYLMDPAHA-XMMPIXPASA-N 423.557 3.055 0 40 HGAB CCCc1nn2c(=O)cc(COC(=O)c3ccc(NC(=O)C(C)C)cc3)nc2s1 15772379 BWEWVTZCALZHIH-UHFFFAOYSA-N 414.487 3.055 0 40 HGAB Cc1nn(Cc2cccc(-c3nc4c5cn[nH]c5ncn4n3)c2)c(C)c1Br 17093441 HLCRDRRKRJUPKS-UHFFFAOYSA-N 423.278 3.292 0 40 HGAB O=C(NCCn1nc(-c2ccc(F)cc2)ccc1=O)c1ccccc1Br 17170812 MYIQJOHMMRUMDO-UHFFFAOYSA-N 416.250 3.242 0 40 HGAB Cc1cc(-c2cnc(N3CCC(NC(=O)c4cccnc4)CC3)nc2C2CC2)on1 19121740 DTEBELILSGNIOO-UHFFFAOYSA-N 404.474 3.111 0 40 HGAB Cc1cc(-c2cnc(N3CCOCC3)nc2[C@H]2CCCN(C(=O)CC(C)C)C2)on1 19122088 FGNJLCYGWICYSH-KRWDZBQOSA-N 413.522 3.029 0 40 HGAB Cc1cnc(-c2nnc(C3CCN(C(=O)c4cc5c(F)cccc5[nH]4)CC3)o2)cn1 19239235 SPYCDSZDNKLNCY-UHFFFAOYSA-N 406.421 3.475 0 40 HGAB O=c1[nH]cc(-c2ccccc2)cc1CNc1ccc(OCCN2CCOCC2)cc1 19373987 QXRJAPFZTKCEKX-UHFFFAOYSA-N 405.498 3.365 0 40 HGAB CCOc1ccc2c(c1)cc(CNc1ccc[nH]c1=O)c(=O)n2Cc1cccnc1 19519944 PMGKBQHJJCZVGU-UHFFFAOYSA-N 402.454 3.144 0 40 HGAB COc1ccc2c(c1)C[C@@H](C(=O)N1CCC[C@H](c3nc(-c4cccnc4)no3)C1)CO2 19562354 ZYYLNNHZZAIKOD-FUHWJXTLSA-N 420.469 3.098 0 40 HGAB Cc1cc(C(=O)N2CCC(c3cc(N(C)C)nc(-c4cnccn4)n3)CC2)cs1 19571681 MPPZZMQRSPEOML-UHFFFAOYSA-N 408.531 3.389 0 40 HGAB CC(C)c1ncc(CN2CCO[C@@H](c3cc(C(=O)N(C)C)c4ccccc4n3)C2)cn1 19762061 PJYWSLWSEBDFNW-JOCHJYFZSA-N 419.529 3.424 0 40 HGAB OCCN1CCN(C[C@@H](O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)CC1 19891694 IWNJWRRJZAETQO-QGZVFWFLSA-N 422.356 3.072 0 40 HGAB O=C1C[C@@H](N2CCN(Cc3ccc(Cl)cc3)CC2)C(=O)N1c1cccc(Cl)c1 20028911 WQNOPHPESMNOSW-LJQANCHMSA-N 418.324 3.443 0 40 HGAB CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1ccccc1C(=O)NCCCOC 20453665 FGLJCQMZAKMXNT-FQEVSTJZSA-N 400.475 3.258 0 40 HGAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NC[C@@H]3CCCO3)cc2Cl)cc1 20456462 YBIQXIFPQVDOOL-HNNXBMFYSA-N 408.907 3.358 0 40 HGAB COc1ccc2cc(C(=O)N(CCN3CCOCC3)Cc3ccccc3F)[nH]c2c1 20566963 FDXVURDUGCLRAO-UHFFFAOYSA-N 411.477 3.290 0 40 HGAB Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCCCC4)nc(N)c32)cc1Cl 20674062 BOZBHZMAKUXJQM-ZDUSSCGKSA-N 414.897 3.075 0 40 HGAB Cc1ccc(-c2cc(C(=O)N(Cc3ccco3)[C@@H]3CCS(=O)(=O)C3)no2)cc1C 21524244 SDPKMXZVYMZGKJ-QGZVFWFLSA-N 414.483 3.381 0 40 HGAB CCOc1ccccc1C(=O)NCC(=O)NCc1ccc(OCC(F)(F)F)cc1 22418170 SQKAPFBHCWSLTK-UHFFFAOYSA-N 410.392 3.073 0 40 HGAB CCOC(=O)c1cc(NC(=O)CN(c2ccccc2C)S(C)(=O)=O)ccc1Cl 22432137 XQSGARPVELPGBC-UHFFFAOYSA-N 424.906 3.230 0 40 HGAB CCOC(=O)N1CCC(NC(=O)c2ccc(NC(=O)c3cccs3)cc2)CC1 22654275 GSGWGJVEROWBRW-UHFFFAOYSA-N 401.488 3.351 0 40 HGAB COc1ccccc1[C@H](CNC(=O)CNC(=O)c1ccccc1Cl)N1CCCC1 22680226 DVQLYYYVLZWZGJ-IBGZPJMESA-N 415.921 3.032 0 40 HGAB COc1cccc(C(=O)N(CCN2CCOCC2)c2nc3ccc(F)cc3s2)c1 22998507 GLUUHBFLNHBLAS-UHFFFAOYSA-N 415.490 3.423 0 40 HGAB COC(=O)C1CCN([C@@H](c2ccc(Cl)cc2)c2sc3nc(C)nn3c2O)CC1 23156934 NRWWOWYCRNUWHP-HNNXBMFYSA-N 420.922 3.433 0 40 HGAB CC(=O)Nc1ccc(C)c(S(=O)(=O)NCc2cccc(NC(=O)C(C)C)c2)c1 24451858 SETWPXQCBIHKNG-UHFFFAOYSA-N 403.504 3.026 0 40 HGAB Cc1ccc(-c2noc(CCCN3CCN(C(=O)COc4ccccc4)CC3)n2)cc1 24823041 JLVROVSKGIQJTO-UHFFFAOYSA-N 420.513 3.201 0 40 HGAB COc1ccccc1[C@H](CNc1ccc2nnc(C(F)(F)F)n2n1)N1CCCC1 24893379 UIFZKTJNSIGSMV-AWEZNQCLSA-N 406.412 3.401 0 40 HGAB O=C(NC[C@H]([C@@H]1CCOC1)N1CCOCC1)N[C@@H](Cc1ccccc1)c1ccccc1 29733917 MHCGKCBYLOCQDA-TZRRMPRUSA-N 423.557 3.007 0 40 HGAB COc1ccc([C@@H](C)NC(=O)CN(c2ccc(F)c(Cl)c2)S(C)(=O)=O)cc1 30869633 VGQIAJJZQQCEJH-GFCCVEGCSA-N 414.886 3.131 0 40 HGAB CC1=C[C@@H](CN2CCN(CCO)CC2)[C@H](C(C)C)C[C@H]1Cc1nnc(C(C)(C)C)o1 30883555 RLSJQMOFVBIEQB-ACRUOGEOSA-N 418.626 3.374 0 40 HGAB biogenic,in-vitro CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)[C@H]1CCCN(c2cnccn2)C1 32777417 LZHZZYKFBDPGQY-ZDUSSCGKSA-N 422.316 3.097 0 40 HGAB COc1cc(N2C[C@H](C(=O)Nc3ccc(F)cc3C)CC2=O)cc(OC)c1OC 32796049 SMNDSYJHAWRSAL-CYBMUJFWSA-N 402.422 3.152 0 40 HGAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)CSCc1cccc(C(=O)O)c1 32885597 ABJVVZBEHPEFNT-UHFFFAOYSA-N 400.500 3.332 0 40 HGAB Cc1noc(C)c1CSc1ncccc1C(=O)NCc1ccc(-n2cccn2)nc1 32902898 JGOWXTDRPFQBOJ-UHFFFAOYSA-N 420.498 3.489 0 40 HGAB COCCNC(=O)C1CCN(c2ncnc3cc(-c4ccc(F)cc4)sc23)CC1 32909017 ITUYOMLHYSIGNS-UHFFFAOYSA-N 414.506 3.476 0 40 HGAB CC(C)c1ccc(NC(=O)CN2CCC3(CC2)N=C(c2ccccc2)C(=O)N3)cc1 35430698 WCJOMZXSMNZULO-UHFFFAOYSA-N 404.514 3.160 0 40 HGAB biogenic C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 36627991 LEOLTTKVPZYLBA-YWZLYKJASA-N 416.499 3.028 0 40 HGAB CCC(=O)N1CCc2cc([C@@H](O)CN3CCC[C@](O)(c4ccccc4OC)C3)ccc21 36740059 BYBQVVZADSKVRJ-WIOPSUGQSA-N 424.541 3.011 0 40 HGAB O=C(NC[C@H](c1ccccc1Cl)N1CCOCC1)c1ccc2c(c1)OCCCO2 40074114 BYIYKKWRHTVRLB-LJQANCHMSA-N 416.905 3.305 0 40 HGAB Cc1nccn1-c1cc(CNC(=O)c2ccc(CN3C[C@H](C)O[C@H](C)C3)cc2)ccn1 53397891 AMKSWGYLQAAAKA-HDICACEKSA-N 419.529 3.115 0 40 HGAB Cc1nn2c(=O)cc(CNc3ccc(C(=O)NC4CCCCC4)cc3C)nc2s1 55876658 YPYHVZGUFUBNQE-UHFFFAOYSA-N 411.531 3.442 0 40 HGAB CCC[C@H](c1nnnn1C[C@@H]1CCCO1)N1CCN(c2cc(Cl)ccc2C)CC1 57670283 CRVHXDDCXYMEDM-RBUKOAKNSA-N 418.973 3.477 0 40 HGAB CCN(CC)CCn1cc(NC(=O)CSc2nc3ccccc3n2CC)cn1 58016522 IKUHGGXMEVBBRG-UHFFFAOYSA-N 400.552 3.325 0 40 HGAB CCOC(=O)N1CCN(c2nc3c(-c4ccccc4)nnn3c3ccccc23)CC1 67263364 QUEGIHWZTMCXIK-UHFFFAOYSA-N 402.458 3.223 0 40 HGAB Cc1ncc(CN2CC[C@@H](c3c(C(=O)NCCO)sc4ccccc34)C2)s1 72352329 PWMLGUMJECTREG-CQSZACIVSA-N 401.557 3.378 0 40 HGAB COc1ccc(C(=O)OC[C@H]2CCCN2[C@H](C)C(=O)OC(C)(C)C)c(OC)c1OC 79046535 KNULHXRVYDYISX-HUUCEWRRSA-N 423.506 3.064 0 40 HGAB COc1ccc([C@H]2SCC(O)=Nc3ncn(-c4ccccc4)c32)cc1OCC(N)=O 79475316 AVTZOZBDEBHGKU-HXUWFJFHSA-N 424.482 3.169 0 40 HGAB Cc1c(C(=O)O)cccc1S(=O)(=O)Nc1ccccc1I 89540463 CGCOCFYCIGXPTO-UHFFFAOYSA-N 417.224 3.099 0 40 HGAB CS(=O)(=O)c1ccc(-c2nc(COC(=O)c3cnc(Cl)c(N)c3)cs2)cc1 95452618 VRCFXTWZQUDWOZ-UHFFFAOYSA-N 423.903 3.201 0 40 HGAB CCCCN1C(=O)[C@H]2ON(c3ccccc3)[C@@H](c3ccc(OC)cc3OC)[C@H]2C1=O 100626312 IXQNZHPLCJRLSM-HKBOAZHASA-N 410.470 3.350 0 40 HGAB O=C(CCN1C(=O)[C@H]2CCCC[C@H]2C1=O)Nc1c(F)cc(F)cc1Br 102440286 NWYDFVJMFLQZDI-PHIMTYICSA-N 415.234 3.231 0 40 HGAB CCOc1ccc(CNC(=O)CCCN(c2cccc(C)c2)S(C)(=O)=O)cc1 113956254 LYXYFHVYOARDAN-UHFFFAOYSA-N 404.532 3.256 0 40 HGAB CC1(C)C[C@H](NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)c2ccccc2O1 219218664 MYIOXKQWDPHKAI-SFHVURJKSA-N 400.500 3.394 0 40 HGAB Cc1cc(C)cc(N(CCCC(=O)NCCCN2CCCCCC2)S(C)(=O)=O)c1 222874723 AYHZYZPUBDQARQ-UHFFFAOYSA-N 423.623 3.232 0 40 HGAB CCc1ccccc1NS(=O)(=O)c1nnc(NC(=O)c2cccc(C)c2)s1 223005108 KXXOJCFMQUHUHJ-UHFFFAOYSA-N 402.501 3.462 0 40 HGAB COc1cccc(-c2noc(CNS(=O)(=O)Cc3c(F)cccc3Cl)n2)c1 223649042 HRNDCTMTLWNMQG-UHFFFAOYSA-N 411.842 3.157 0 40 HGAB CCCc1ccc(OCCNC(=O)[C@@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)cc1 224007306 PKVZIRXKMXBENH-MRXNPFEDSA-N 422.522 3.128 0 40 HGAB CN(Cc1ccc(C(=O)NCCc2ccccc2)cc1)S(=O)(=O)c1ccccc1 224404537 MUKZIPWRENWSMW-UHFFFAOYSA-N 408.523 3.480 0 40 HGAB COc1cccc(CN(C(=O)COc2ccccc2F)[C@@H](C)C(=O)NCC(C)C)c1 224451705 KCNUZJPWDSQWBZ-KRWDZBQOSA-N 416.493 3.403 0 40 HGAB CCc1ccc(CC)c(CNC(=O)[C@H](C)N(c2cccc(F)c2)S(C)(=O)=O)c1 225438535 DDUKCRVPMAIMSA-HNNXBMFYSA-N 406.523 3.421 0 40 HGAB COc1ccc(CCNC(=O)[C@@H]2C[C@H]3CC[C@H]2C[C@@]32NC(=O)c3ccccc3N2)cc1 257241073 HWLZYCOQWOXBBH-FAYLVHGNSA-N 419.525 3.342 0 40 HGAB CCCn1ccc(C(=O)N2CCC[C@H](c3n[nH]cc3C(=O)N3CCCCCC3)C2)n1 257302627 SDPYPZSRWPEAQK-KRWDZBQOSA-N 412.538 3.052 0 40 HGAB CCCCC(=O)NC(=S)NCc1ccc(-c2nn3c(CC)nnc3s2)cc1 408624561 VBDIIDSKMPPYSK-UHFFFAOYSA-N 402.549 3.096 0 40 HGAB Cc1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccc(F)cc3)[C@@H]2c2ccc(C)cc2)cc1 409051841 BUUYJMCNORFJNI-WSBKAMHLSA-O 416.476 3.459 0 40 HGAB CN1CCC(N(C[C@H](O)CC(C)(C)C)S(=O)(=O)c2ccc3c(c2)CCC3)CC1 566928592 CNKJKBMDPVQBNE-HXUWFJFHSA-N 408.608 3.057 0 40 HGAB O=C(CCOc1ccc(F)cc1)NC[C@@H]1OCCc2cn(Cc3ccccc3)nc21 585111618 DOMVBTIXRSUFBZ-NRFANRHFSA-N 409.461 3.270 0 40 HGAB O=C1CN(Cc2ccccc2F)Cc2cc(CCCO)ccc2OCCCCCN1 643579469 AOLNMAMAHWDJEQ-UHFFFAOYSA-N 414.521 3.432 0 40 HGAB C=CC(=O)N1CCC(C(=O)N[C@H]2CCN(c3ccccc3F)C2)(c2ccccc2)CC1 1641945783 DZFGYPFEDRDOCM-FQEVSTJZSA-N 421.516 3.267 0 40 HGAB C[C@@H](NS(=O)(=O)c1ccc(CCC(=O)NCc2ccncc2)cc1)c1ccccc1 665955 PBWOAEZUZPQPKW-GOSISDBHSA-N 423.538 3.370 0 40 HGAB CCOC(=O)CN1C(=O)[C@@](O)(CC(=O)c2ccc(C(C)(C)C)cc2)c2ccccc21 915215 WLFPNGHZIMZZLU-XMMPIXPASA-N 409.482 3.354 0 40 HGAB CCOc1ccc(-n2c(SCC(=O)N3CCCC3)nnc2-c2ccccn2)cc1 1362460 TWMALSFJIJJVGW-UHFFFAOYSA-N 409.515 3.443 0 40 HGAB O=C(Nc1ccc(Br)cc1)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 1438647 GHBJVSLIOZTGKI-AWEZNQCLSA-N 423.332 3.489 0 40 HGAB C[C@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(C(=O)Oc3ccc4c(c3)OCO4)c2)C1 3253583 VDCGYDDOQOVRPN-GJZGRUSLSA-N 417.483 3.301 0 40 HGAB Cc1nc2cc(C(=O)OCC(=O)NC(=O)NC3CCCC3)ccc2n1-c1ccccc1 3366614 QRLSQADVMSQMPC-UHFFFAOYSA-N 420.469 3.259 0 40 HGAB COc1ccc(CN(C(=O)c2ccc(OC(C)C)cc2)[C@H]2CCS(=O)(=O)C2)cc1 4182957 VQANRAUHNNEKMP-IBGZPJMESA-N 417.527 3.312 0 40 HGAB CCCC[C@H](C(=O)OCC(=O)c1cccc(OC)c1)N1C(=O)c2ccccc2C1=O 4544780 HPBQGNLYLDVVPJ-LJQANCHMSA-N 409.438 3.276 0 40 HGAB NC(=O)c1ccccc1NC(=O)CCCCCCCC(=O)Nc1ccccc1C(N)=O 4615790 LLQZLHLSGAAFOK-UHFFFAOYSA-N 424.501 3.192 0 40 HGAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2ccc3c(c2)OCCO3)c1C 4925998 AJHPUUNGHZRUOT-CYBMUJFWSA-N 401.415 3.008 0 40 HGAB COc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCCN(C)C)[C@H]3c1ccc(F)cc1 5351838 MTJMJLUGOBMOOU-FQEVSTJZSA-N 410.445 3.438 0 40 HGAB COc1ccccc1N1CCN(S(=O)(=O)c2ccc(OC)c3ccccc23)CC1 5586858 MYCOQZAJOYOXNG-UHFFFAOYSA-N 412.511 3.368 0 40 HGAB CCOc1ncccc1C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 6087738 IIQSIQQANASDRI-UHFFFAOYSA-N 409.895 3.171 0 40 HGAB CC1=CC(=O)C2=C(C)C[C@H](OC(=O)C(Cl)(Cl)Cl)[C@H]3[C@H](C)C(=O)O[C@@H]3[C@H]12 6183805 XJZDWBGISVLGDS-HBYJKHNMSA-N 407.677 3.312 0 40 HGAB Cc1ccccc1N(CC(=O)N[C@H](c1nc2ccccc2[nH]1)C(C)C)S(C)(=O)=O 6610587 RXUKINJNWCKEDH-FQEVSTJZSA-N 414.531 3.151 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)Nc2cccc(NC(C)=O)c2)c1 6787385 KZWSWPFZGNODAU-UHFFFAOYSA-N 407.467 3.067 0 40 HGAB O=C(COc1ccc(Cl)cc1)N(Cc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 6811032 CYTIIEGDHUMVLN-MRXNPFEDSA-N 411.882 3.074 0 40 HGAB COc1ccc(NC(=O)C2c3ccccc3Oc3ccccc32)cc1S(N)(=O)=O 7000081 DMKUWRXXHOSYBL-UHFFFAOYSA-N 410.451 3.219 0 40 HGAB Cc1cccc(-c2nnc(SCC(=O)Nc3ccc(C)c(C)c3)n2CC(N)=O)c1 7002720 DUXUDPYZEDVWEG-UHFFFAOYSA-N 409.515 3.086 0 40 HGAB Cc1csc(=O)n1CCN(C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 7061989 PPMCUSQUEIQVQK-UHFFFAOYSA-N 407.845 3.461 0 40 HGAB Cc1cc(C)c(C)c(S(=O)(=O)N[C@H](C(=O)NCCc2ccco2)C(C)C)c1C 7985468 SNNLDHVQLKPPAU-IBGZPJMESA-N 406.548 3.175 0 40 HGAB C[C@H]1c2cccn2CCN1CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1 8156355 LZKGLQDMRKNLDB-ZDUSSCGKSA-N 404.396 3.103 0 40 HGAB CCOC(=O)C1=C(C)n2c(s/c(=C/c3ccc(F)cc3)c2=O)=N[C@H]1c1ccccc1 8965109 AQVUDAOWGNGFOP-ZPBCLNFZSA-N 422.481 3.046 0 40 HGAB C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccco1)c1ccc2c(c1)OCCO2 9883748 VHMLSWSHYWGRJQ-APWZRJJASA-N 420.465 3.269 0 40 HGAB COc1cn(CC(=O)Nc2ccccc2F)c(CSc2nccc(C)n2)cc1=O 10254958 IUMAVYXFNWCJLY-UHFFFAOYSA-N 414.462 3.025 0 40 HGAB COc1ccc(OC)c(-n2nnc(-c3nc(-c4ccc(OC)c(OC)c4)no3)c2C)c1 10273834 AZPHLEFOWPBJMH-UHFFFAOYSA-N 423.429 3.327 0 40 HGAB C[C@@H]1Cc2cc(C(=O)Nc3ccccc3Br)ccc2N1S(C)(=O)=O 10324132 YMOXSPOPSCTCFD-LLVKDONJSA-N 409.305 3.412 0 40 HGAB C[C@@H](CCc1ccccc1)NC(=O)[C@@H](C)Sc1n[nH]c(=O)n1CCc1ccccc1 10414254 BOECYPVZLIVGIN-ZWKOTPCHSA-N 424.570 3.432 0 40 HGAB COCCCN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@H]1c1ccc(O)c(OC)c1 11915311 HVYKVMYPIMCLGP-HXUWFJFHSA-N 409.438 3.397 0 40 HGAB O=C1NC2(CCN(CC(=O)N3CCC[C@@H](c4ccccc4)C3)CC2)Oc2ccccc21 12145788 HOYUUIKZMYMSLI-HXUWFJFHSA-N 419.525 3.007 0 40 HGAB Cc1ccccc1S(=O)(=O)N1CCC(O)(Cn2ccc3nc(Cl)ccc32)CC1 12182264 DYBWCWPDHHWKOJ-UHFFFAOYSA-N 419.934 3.214 0 40 HGAB COc1ccc(OC)c(CNCc2cc3c(C)nn(-c4ccccc4)c3[nH]c2=O)c1 12186322 YDVLOIWZNUEDNR-UHFFFAOYSA-N 404.470 3.329 0 40 HGAB CC(C)c1cc(C(F)(F)F)n2nc([C@H]3CCCN3C(=O)[C@H]3CC(=O)N(C)C3)cc2n1 12230389 LYHQFBOLNJUQRN-SWLSCSKDSA-N 423.439 3.013 0 40 HGAB O=C(Cc1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1)N1CCCC1 13848714 XLWJYPXJSTWNGT-UHFFFAOYSA-N 423.332 3.415 0 40 HGAB CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCSCc2ccccc2)c1 14244488 XHERZGRPXYJMTG-UHFFFAOYSA-N 412.964 3.254 0 40 HGAB O=C(NCc1ccccn1)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1 15434272 RDFBIQUWFAUSJL-UHFFFAOYSA-N 403.410 3.091 0 40 HGAB COc1cn(CC(=O)Nc2cccc(C)c2)c(CSc2nccc(C)n2)cc1=O 17135383 ZVOFEJMNUQBFKJ-UHFFFAOYSA-N 410.499 3.195 0 40 HGAB Cc1ccc2c(c1)C(=O)CC1(CCN(C(=O)[C@@H](C)n3nnc4ccccc43)CC1)O2 19218120 KYMHKSHENHXPMN-MRXNPFEDSA-N 404.470 3.327 0 40 HGAB Cc1nc(C)n(C[C@@H](C)C(=O)N2CCC[C@H](c3nc(C)n4c(C)csc34)C2)n1 19240385 MHMWHZHZKINPRQ-PXAZEXFGSA-N 400.552 3.263 0 40 HGAB COc1ccc(CN2CCC[C@H](c3ncc(Cl)cc3S(C)(=O)=O)C2)cc1O 19559707 RJQAVQLXDANIMJ-AWEZNQCLSA-N 410.923 3.232 0 40 HGAB Cc1cc(C)cc(-c2ccccc2C[C@@H]2CN(C(=O)c3ccnn3C)CCNC2=O)c1 19569866 ULPHUPNNIZMVTA-OAQYLSRUSA-N 416.525 3.135 0 40 HGAB CN(C)C(=O)C1(Cc2cccc(-c3cncnc3)c2)CCN(C(=O)C(C)(C)C)CC1 19700356 JGDQYGHLTAPKPZ-UHFFFAOYSA-N 408.546 3.429 0 40 HGAB CCS(=O)(=O)N1CCC[C@@H](c2nc(C)c3c(n2)N(Cc2ccccc2)CCC3)C1 19706716 YZIABTHZGBJEAE-LJQANCHMSA-N 414.575 3.267 0 40 HGAB O=C(N[C@@H]1C[C@H]2CC[C@@H]1C2)C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1 19867981 WITQZSQDGPOCFB-ZSZQSSIHSA-N 410.967 3.187 0 40 HGAB CN(Cc1ccc(/C=C/C(=O)NCc2ccc(Cl)cc2Cl)o1)S(C)(=O)=O 20449831 GYWRDVQOGZAUHF-BQYQJAHWSA-N 417.314 3.307 0 40 HGAB COc1ccc([C@@H](CNC(=O)COc2ccc(F)cc2Cl)N2CCOCC2)cc1 23763018 CTBHDHVMLKZJBY-LJQANCHMSA-N 422.884 3.056 0 40 HGAB O=c1c2ccccc2nc(SCc2cc(F)cc3c2OCOC3)n1CCCO 24509853 GHDPRIVWZUCEDB-UHFFFAOYSA-N 402.447 3.077 0 40 HGAB O=C(c1ccc(SCc2cn3ccccc3n2)cc1)N1CCN(C(=O)C2CC2)CC1 25170125 DWDNJJXQADWCPC-UHFFFAOYSA-N 420.538 3.321 0 40 HGAB NC(=O)c1ccc(N2CCCCC2)c(NC(=O)c2cc(Cl)c3c(c2)OCCO3)c1 25249918 HOHDADZDMFIQMK-UHFFFAOYSA-N 415.877 3.453 0 40 HGAB Cc1nn(-c2ncnc3[nH]cnc23)c2c1[C@@H](c1ccccc1Br)CC(=O)N2 31807805 QOJNAJCZNKFGBP-LLVKDONJSA-N 424.262 3.084 0 40 HGAB O=C(CCN1C(=O)NC2(CCCC2)C1=O)Oc1ccc(C(=O)c2ccc(F)cc2)cc1 32722030 RLVPRGNZZVROPP-UHFFFAOYSA-N 424.428 3.217 0 40 HGAB C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)c1ccc(OC[C@@H]2CCCO2)cc1 32753849 DGWPZQMYUXQEKN-UZLBHIALSA-N 417.527 3.481 0 40 HGAB Cc1cccc(NC(=O)NC(=O)CSc2nnc(NC[C@H]3CCCO3)s2)c1C 32830305 DOCPEBOCSURTMV-CYBMUJFWSA-N 421.548 3.186 0 40 HGAB COc1ccc([C@H](CNC(=O)c2sccc2-n2cccc2)N2CCOCC2)cc1 32903405 PLTOJQZQDOHBGL-FQEVSTJZSA-N 411.527 3.351 0 40 HGAB NC(=O)COc1cccc(NC(=O)COc2ccc(C3SCCCS3)cc2)c1 32905240 ADHBOQDKVUKZDM-UHFFFAOYSA-N 418.540 3.437 0 40 HGAB C[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1 35943168 BVUBLIHUYSRSFE-LBPRGKRZSA-N 401.405 3.364 0 40 HGAB Cc1ccccc1NC(=O)[C@@H](C)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C 36404260 SGFKSUZEVQXSPB-DLBZAZTESA-N 408.502 3.018 0 40 HGAB CCOc1ccc(C)cc1S(=O)(=O)NCCCN1CCO[C@H](c2ccccc2)C1 36700301 IMEADAOLRVPAFJ-NRFANRHFSA-N 418.559 3.136 0 40 HGAB CCN(CC(=O)Nc1ccc(OC)cc1)C(=O)CCc1nc(-c2ccc(C)cc2)no1 39527163 AZAKSDAPLFDOHW-UHFFFAOYSA-N 422.485 3.473 0 40 HGAB Cc1ccc(Nc2nc3c(c(=O)[nH]2)[C@H](C(=O)Nc2cccc(C)c2)CC(=O)N3)cc1 40400365 YWNUMAISZCVWII-MRXNPFEDSA-N 403.442 3.195 0 40 HGAB O=C(NCc1cccnc1-n1cccn1)c1cnc(OCC(F)(F)F)c(Cl)c1 48115152 JCSKYTFRXYETCI-UHFFFAOYSA-N 411.771 3.187 0 40 HGAB Cc1nc(-c2ccc(CCNC(=O)[C@H]3CS[C@@]4(C)CCC(=O)N34)cc2)cs1 48299661 RBCSFBUDSNPSAL-XLIONFOSSA-N 401.557 3.231 0 40 HGAB Cc1ccc2c(c1)C(=O)N(CCC(=O)Nc1cccc(CN3CCSCC3)c1)C2=O 58114090 QWUNSRSHVGKGBS-UHFFFAOYSA-N 423.538 3.169 0 40 HGAB CCOc1ccc(NC(=O)c2nnn(CC(=O)Nc3cccc(C(C)=O)c3)c2C)cc1 67322978 LPWLZSHRNVYNPZ-UHFFFAOYSA-N 421.457 3.079 0 40 HGAB C[C@H](NC(=O)c1sccc1S(=O)(=O)Nc1cnn(C)c1)c1cccc(Cl)c1 69442835 SBASOPPEIVJVMB-NSHDSACASA-N 424.935 3.427 0 40 HGAB O=C(CN1N=C(c2nc(-c3ccccc3)no2)CCC1=O)Nc1cccc(Cl)c1 71328306 ICDMXLBUSLBAOC-UHFFFAOYSA-N 409.833 3.355 0 40 HGAB O=C(NCc1cccc(C(F)(F)F)c1)[C@@H]1CCCN1S(=O)(=O)c1cccs1 71850188 BWTPGMJQWSRXRP-AWEZNQCLSA-N 418.462 3.236 0 40 HGAB Cc1c(C(=O)NC(C)C)nnn1-c1cccc2c1CCN(Cc1ccc(F)cc1)C2 71889487 FMTGFDWIJHHXBI-UHFFFAOYSA-N 407.493 3.411 0 40 HGAB CCC(=O)N[C@H]1CN(Cc2cnn(CC)c2C)C[C@@H]1c1cn(C)c2ccc(OC)cc12 72395725 FNQHOUXDCFNLHH-YADHBBJMSA-N 423.561 3.206 0 40 HGAB COCCCOc1ccc(C(=O)NCc2ccc(C(=O)Nc3cccnc3)cc2)cn1 78878924 IYLOAJCOMFIYSJ-UHFFFAOYSA-N 420.469 3.074 0 40 HGAB CCOC(=O)c1csc(N(CC)C(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2)n1 78879526 VLCZGKYGODCMKE-GFCCVEGCSA-N 421.906 3.379 0 40 HGAB COc1ccc(S(=O)(=O)NCCc2nnc(-c3ccccc3)o2)c2ccccc12 79012782 PUFUKZLJKAKSEM-UHFFFAOYSA-N 409.467 3.419 0 40 HGAB Cc1ccc(N2C[C@H](C(=O)N(c3ccc(C)cc3)[C@@H]3C=CS(=O)(=O)C3)CC2=O)cc1 79052897 KWXKMJJVKJKTNS-WIYYLYMNSA-N 424.522 3.000 0 40 HGAB O=C(/C=C/c1ccc(S(=O)(=O)NC2CC2)cc1)OCc1ccc(-n2cccn2)cc1 84615346 GURNYYCYEBOPKT-AWNIVKPZSA-N 423.494 3.070 0 40 HGAB CNC(=O)[C@@H]1CCCN(C(=O)[C@H]2CCCC[C@@H]2c2nc3cc(Cl)ccc3[nH]2)C1 95465220 WQFDCCZROYTVOO-KBMXLJTQSA-N 402.926 3.475 0 40 HGAB COC(=O)C[C@H](c1cc(OC)c(OC)c(OC)c1)c1c(O)ccc2nsnc12 96232272 GDYTULVGTOQWJV-LLVKDONJSA-N 404.444 3.118 0 40 HGAB Cc1ccc(N2C(=O)C[C@H](c3c(C)nn(-c4nc5ccccc5[nH]4)c3O)C2=O)c(C)c1 100069174 HCHGHILVXGACHG-OAHLLOKOSA-N 415.453 3.427 0 40 HGAB 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GAODCOCKOLHROF-KRWDZBQOSA-N 416.543 3.403 0 40 HGAB COc1ccc(OC)c([C@@H](C)NC(=O)c2cccc(N3CCCCS3(=O)=O)c2)c1 224042880 GSNWQTHEAIMEIK-OAHLLOKOSA-N 418.515 3.125 0 40 HGAB COc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2C)cc1N1C(=O)CCC1=O 224140181 RZAHMOODOVIOAA-UHFFFAOYSA-N 408.863 3.111 0 40 HGAB Cc1ccc(S(=O)(=O)Nc2cnc(N3CCN(c4ccccc4)CC3)nc2)cc1C 224275763 YVLQWFPGIIHNOC-UHFFFAOYSA-N 423.542 3.221 0 40 HGAB COc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)N3CCC(C)CC3)c2)cc1 224279661 DNCWRGQJQKYNSL-UHFFFAOYSA-N 402.516 3.392 0 40 HGAB CC[C@H](NC(=O)[C@@H](C)Oc1ccc(N(C)S(C)(=O)=O)cc1)c1ccc(C)cc1 224749885 GPTXEZMHRJNCLE-UZLBHIALSA-N 404.532 3.426 0 40 HGAB CCOC(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(OC)c(Cl)c1 224955974 NAXJSLXACLVDTC-UHFFFAOYSA-N 413.879 3.116 0 40 HGAB COC(=O)c1cccc(S(=O)(=O)N[C@@H]2CC(C)(C)Oc3ccc(OC)cc32)c1 225823985 RWLQNNKOQQDNKR-QGZVFWFLSA-N 405.472 3.063 0 40 HGAB CN(C)c1ncc(-c2ccccn2)c([C@H]2CC[C@H](CNC(=O)[C@H]3CCCO3)CC2)n1 257281805 ORBRGKIALRZMFL-MBOZVWFJSA-N 409.534 3.174 0 40 HGAB Cc1nc2c(n1C(C)C)CN(Cc1cccnc1)CC21CCN(C(=O)N(C)C)CC1 306132549 LLWIMPATQDIXAK-UHFFFAOYSA-N 410.566 3.198 0 40 HGAB CCc1ccc(NC(=O)N2CC[C@@]3(COCC[C@@H]3NC(=O)N3CCCC3)C2)cc1 306137297 QRZQNUAKJXZMDH-UGKGYDQZSA-N 400.523 3.067 0 40 HGAB COc1ccc2nc(NC(=S)NC(=O)c3ccc4c(c3)OCCO4)sc2c1 408619108 GAXYYJZGSAMAHD-UHFFFAOYSA-N 401.469 3.203 0 40 HGAB Cc1c(Cl)cccc1N1C[C@@H](C(=O)OCC(=O)N[C@@H](C)c2ccccc2)CC1=O 408672721 ZPUMATOAQZDCQF-RDJZCZTQSA-N 414.889 3.422 0 40 HGAB O=C(O)CCSc1nc2ccc(N3C(=O)[C@@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2s1 408750671 QDAAGZYXVPXLQG-VCXDHIOWSA-N 400.481 3.175 0 40 HGAB Cc1cccnc1NC(=O)CSc1nnc(COc2ccccc2Cl)n1C 409158047 XHIKEMUBLJTYBE-UHFFFAOYSA-N 403.895 3.482 0 40 HGAB CCn1nc(C)c(CNC(=O)NC[C@]2(Cc3ccc(F)cc3)CCC[C@@H]2O)c1C 583417754 OILDBBFRHHLKBC-RBBKRZOGSA-N 402.514 3.232 0 40 HGAB CC(C)N(C)c1cnn([C@@H]2CCCN(C(=O)/C=C/c3ccc(Cl)nc3)C2)c(=O)c1 583621918 RLPYBNIEACQDMJ-UGAXZCSASA-N 415.925 3.013 0 40 HGAB O=C1c2ccccc2CN1CCC(=O)N1CCCC2=C[C@H]3C[C@@H](CN4CCCC[C@@H]34)[C@H]21 583647568 KMWOXVJLEQBKSZ-PBXDDXTRSA-N 419.569 3.454 0 40 HGAB biogenic COC(=O)Nc1ccc(S(=O)(=O)NCc2cccnc2-c2ccsc2)cc1 585366828 JHHGUEREEUTLKJ-UHFFFAOYSA-N 403.485 3.467 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC[C@H](c3nnc4n3CCCCC4)C2)cc1Cl 642332498 HWKJROLDQNNELC-AWEZNQCLSA-N 424.954 3.235 0 40 HGAB O=C(O)CCn1c2c(c3ccccc31)C[C](NS(=O)(=O)c1ccc(F)cc1)CC2 1560411636 XJQFDMYEXSYQFV-UHFFFAOYSA-N 415.466 3.254 0 40 HGAB COc1ccccc1S(=O)(=O)N1CCC[C@@H](N(C)c2ncnc(C(C)C)c2F)C1 1888897198 LTNUPJZLXLNGJP-OAHLLOKOSA-N 422.526 3.037 0 40 HGAB O=C(OCC(=O)N1CCC(Cc2ccccc2)CC1)c1cc(=O)c2ccccc2o1 5900032 WLMUBKFBHDHWTB-UHFFFAOYSA-N 405.450 3.431 0 40 HGAB O=C1[C@H]2C3c4ccccc4C(C(=O)O)(c4ccccc43)[C@@H]2C(=O)N1c1ccccc1F 849908 KFEXLDHFIBTCOI-HRZAVBMWSA-N 413.404 3.461 0 40 HGAB COCCNC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1 3604124 JSITZWQXTVRICM-UHFFFAOYSA-N 402.907 3.442 0 40 HGAB O=C(c1ccccc1I)N1CCN(Cc2ccccc2)CC1 20522553 DHEUWNFOQZBXQH-UHFFFAOYSA-N 406.267 3.249 0 40 HGAB CSc1nc(Cl)c(-c2ccccc2)c(N2CCN(C(=O)[C@H]3CCCO3)CC2)n1 4967272 RGJIQEKLCDLXGM-OAHLLOKOSA-N 418.950 3.347 0 40 HGAB C[C@@]1(Cc2ccc3c(c2)OCO3)NC(=O)N(CCOc2ccccc2Cl)C1=O 7560860 QRMHHCPYRVKUSY-FQEVSTJZSA-N 402.834 3.001 0 40 HGAB Cc1cc(OC(=O)[C@@H]2CC(=O)N([C@H](C)c3ccccc3)C2)ccc1N1C(=O)CCC1=O 7928553 IBZVIWGEAJGAEQ-SJLPKXTDSA-N 420.465 3.164 0 40 HGAB COC(=O)c1cn(CC(=O)N2CCN(c3cccc(Cl)c3)CC2)c2ccccc12 8075575 NNWCPTHZHGKIQW-UHFFFAOYSA-N 411.889 3.430 0 40 HGAB CCc1sc(C(=O)OCC(=O)c2cc(C)n([C@@H]3CCS(=O)(=O)C3)c2C)cc1C 32738754 XDPHKELDZLPNFX-OAHLLOKOSA-N 423.556 3.437 0 40 HGAB CC(C)(C)OC(=O)N1CCC(C(=O)N2CCC[C@H](c3nnc4ccccn34)C2)CC1 32830574 REVYSUHFNXMDFF-KRWDZBQOSA-N 413.522 3.082 0 40 HGAB Cc1cc2n(CCS(=O)(=O)c3ccc(Cl)cc3)c(=O)c3ccccc3n2n1 32810239 OJXXESYALAMKCB-UHFFFAOYSA-N 401.875 3.085 0 40 HGAB COc1cc(OC)c(C(=O)NCCc2coc(-c3ccc(F)cc3)n2)cc1OC 60355513 HXOMSSLTIFEHCY-UHFFFAOYSA-N 400.406 3.479 0 40 HGAB Cc1nn(Cc2noc(C(=O)N[C@H](C)[C@@H]3C[C@@H]4CC[C@@H]3C4)n2)c(C)c1Br 101581601 VSNPFOQHCFICOJ-JXJLXUTGSA-N 422.327 3.248 0 40 HGAB Cc1c(C(=O)OCc2cc(Cl)c3c(c2)OCCO3)sc2ncn(C)c(=O)c12 23230384 FCPOZJGCMGOXQN-UHFFFAOYSA-N 406.847 3.085 0 40 HGAB Cc1cc(C)cc(O[C@H](C)C(=O)N(Cc2ccccc2F)[C@H]2CCS(=O)(=O)C2)c1 28228684 KLLSZAHJMXQKSL-MJGOQNOKSA-N 419.518 3.426 0 40 HGAB COc1ccc(NC(=O)/C(Cl)=C(/Cl)S(=O)(=O)Cc2ccccc2)cn1 1383601 RSCMVRBCGVUKGX-CCEZHUSRSA-N 401.271 3.290 0 40 HGAB CN1C(=O)N[C@H](c2cccc(F)c2)[C@H](C(=O)c2cccs2)[C@@]1(O)C(F)(F)F 12139925 RKDPVVPQUMMOQU-XJKCOSOUSA-N 402.369 3.333 0 40 HGAB CCN1CCN([C@H](c2ccccc2Cl)c2nnnn2Cc2ccc(F)cc2)CC1 20141318 SMERUTNGBARHNP-HXUWFJFHSA-N 414.916 3.241 0 40 HGAB Cc1ccc(CN2C[C@H](C(=O)OCC(=O)Nc3ccc(Cl)cc3)CC2=O)cc1 28609569 KKFJYJPQRMWSAX-MRXNPFEDSA-N 400.862 3.179 0 40 HGAB Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1C(=O)N1CCC(C(N)=O)CC1 12390035 GELQYEKGZMTLCA-UHFFFAOYSA-N 413.421 3.355 0 40 HGAB COc1ccc(-c2cc3c(=O)n(CC(=O)NCc4ccc(Cl)cc4)ccn3n2)cc1 12414447 AUOQJUKCDWTSNC-UHFFFAOYSA-N 422.872 3.141 0 40 HGAB CC(C)CNc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C1CCCCC1 12527669 RKJZDRJPNMTPJA-UHFFFAOYSA-N 423.579 3.294 0 40 HGAB CCN(C(=O)CSc1nnc(N2CCOCC2)n1-c1ccccc1)C1=CCCC1 12556140 GPJPWNDJMNZZDJ-UHFFFAOYSA-N 413.547 3.112 0 40 HGAB CCN1CCN(c2ccc(NC(=O)c3ccc(Cn4cncn4)cc3)cc2C)CC1 10394548 RHACMHFXYMYRQG-UHFFFAOYSA-N 404.518 3.029 0 40 HGAB COc1ccc(Cl)cc1NC(=O)COC(=O)CCC(=O)Nc1ccc(F)cc1 408656804 MJIFXYHEATYNQT-UHFFFAOYSA-N 408.813 3.388 0 40 HGAB O=C(Nc1cccc(F)c1)[C@H]1CCCCN1S(=O)(=O)c1cccc2nsnc12 3219618 AIXAHINTJBTFAZ-OAHLLOKOSA-N 420.491 3.012 0 40 HGAB Cc1ccc(Nc2nc(N)nc(Cn3cc(C(F)(F)F)cc(Cl)c3=O)n2)cc1 7256068 UBFUJOVRQNLOJG-UHFFFAOYSA-N 410.787 3.388 0 40 HGAB Cc1ccc(NC(=O)COc2ccc(F)cc2)cc1S(=O)(=O)N1CCCCC1 12799692 UEZKNYNMDXKDBD-UHFFFAOYSA-N 406.479 3.326 0 40 HGAB Cc1nn(-c2ccccc2)cc1CCCNC(=O)[C@H]1CCCN(C(=O)N2CCCC2)C1 48275285 SEJZPMHUSCMSIN-NRFANRHFSA-N 423.561 3.157 0 40 HGAB C[C@H](Sc1ncnc2sccc12)C(=O)Nc1sc2c(c1C(N)=O)CCC2 7363620 LHGYDLKTFWJAHP-QMMMGPOBSA-N 404.542 3.460 0 40 HGAB CCc1cc2c(=O)n(CC)c(SCCN3C(=O)c4ccccc4C3=O)nc2s1 3450558 KTZARSYRDJPFLG-UHFFFAOYSA-N 413.524 3.429 0 40 HGAB CCOc1ccccc1NC(=O)Cn1ccn2nc(-c3ccc(OC)cc3)cc2c1=O 7616011 NPPNUFBPAWJFCC-UHFFFAOYSA-N 418.453 3.209 0 40 HGAB C[C@H](c1ccc(-n2cncn2)cc1)N(C)CC(=O)NCCc1nc2ccccc2s1 49592460 IXSWHZUJVLWEME-MRXNPFEDSA-N 420.542 3.229 0 40 HGAB O=C(c1ccccc1Br)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 4183409 LVGZNRSVDYBFJU-LBPRGKRZSA-N 414.346 3.340 0 40 HGAB O=S(=O)(c1ccc(Oc2ncnc3c2oc2ccccc23)cc1)N1CCOCC1 7779841 VFLMFRJMWVUQRS-UHFFFAOYSA-N 411.439 3.189 0 40 HGAB Cc1ccc(C)c(Oc2nc3c(c(=O)n(Cc4ccc(F)cc4)c(=O)n3C)n2C)c1 13739020 BDZLCRBBOWXMFG-UHFFFAOYSA-N 408.433 3.030 0 40 HGAB Cc1ccc(OCc2nc(C(=O)OCc3cc(=O)n4ccsc4n3)cs2)cc1 16159958 CMOYFMRWSUMZCU-UHFFFAOYSA-N 413.480 3.457 0 40 HGAB O=C(Nc1ccccc1C(F)(F)F)c1cc(C2CC2)n([C@@H]2CCS(=O)(=O)C2)n1 21000036 ZJSZGEIZLRTNAO-GFCCVEGCSA-N 413.421 3.391 0 40 HGAB COc1ccc(-n2ccc(=O)c(C(=O)Nc3ccc(Br)cc3)n2)cc1 5451317 SDDHVSJAFZAPSL-UHFFFAOYSA-N 400.232 3.256 0 40 HGAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)cc1C 4815432 JJTUMVZRULFUNA-GFCCVEGCSA-N 416.421 3.328 0 40 HGAB Cc1ccc(NC(=O)c2nnn(Cc3ccc(Br)cc3F)c2N)cc1 4934527 SWDBGMKTFVRYKF-UHFFFAOYSA-N 404.243 3.371 0 40 HGAB COCCN1CC[C@]2(c3ccccc3)CCN(C(=O)c3ccc(OC)cc3)[C@@H]2CC1=O 306134022 NCAYIOCILMELLC-RCZVLFRGSA-N 422.525 3.117 0 40 HGAB O=C(/C=C/c1ccccc1)N1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 9507928 RGHHFNZCVCGJCI-ZHACJKMWSA-N 424.444 3.252 0 40 HGAB COc1ccc(NC(=O)CS[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 96562007 KFRPLSLEJJAKLM-INIZCTEOSA-N 404.875 3.352 0 40 HGAB Cc1ccc2nc(CSc3nnc(N4CCOCC4)n3-c3cccc(F)c3)cn2c1 9731674 VHLWRPZIDDFDOT-UHFFFAOYSA-N 424.505 3.491 0 40 HGAB COc1cc2ncn(CC(=O)Nc3ccc(Cl)cc3Cl)c(=O)c2cc1OC 20744744 FPKFPROAOVOQFW-UHFFFAOYSA-N 408.241 3.359 0 40 HGAB CC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)C(=O)O[C@@H](C)c2ccccc2Cl)cc1 9963616 DUFOAKGGIFUCMJ-OLZOCXBDSA-N 424.906 3.270 0 40 HGAB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NC(C)(C)C)c1ccc(C)cc1 409388416 GKPLRVQCOVUFFI-UHFFFAOYSA-N 404.532 3.422 0 40 HGAB COCCCNC(=O)c1ccccc1NC(=O)CCc1ccc(OC)c(OC)c1 30758785 OBYQNKGWNNCTOI-UHFFFAOYSA-N 400.475 3.041 0 40 HGAB O=C(NCc1cccc(-c2nccs2)c1)c1c(-n2cnnn2)sc2c1CCC2 524732863 VOUGDIUYZFQVDU-UHFFFAOYSA-N 408.512 3.266 0 40 HGAB O=C(Nc1ccc(N2CCCC2)cc1)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 31302861 XDKFIYKOZUTPHL-MRXNPFEDSA-N 419.572 3.388 0 40 HGAB CC[C@@H](C(=O)NCCCc1cccc(OC)c1)N(c1cccc(C)c1)S(C)(=O)=O 220516131 XYUHZPJLQMOOIE-NRFANRHFSA-N 418.559 3.297 0 40 HGAB COc1ccc(CN(C(=O)Cc2ccccc2)[C@H](C)C(=O)NCc2ccncc2)cc1 222990355 CPUIWSLMXBBCMU-LJQANCHMSA-N 417.509 3.366 0 40 HGAB COc1cccc(-n2cc(C(=O)O)c3c2[C@H](c2ccc(OC)c(O)c2)CC(=O)N3)c1 49543337 JAELFIMQFPEQAE-HNNXBMFYSA-N 408.410 3.372 0 40 HGAB biogenic Cc1cccc(OCCNC(=O)[C@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)c1C 223925296 YLEVDPVDXFFOMP-INIZCTEOSA-N 424.950 3.307 0 40 HGAB CNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CSCc1ccccc1C 222826691 VYIBRIFXDHAMND-QGZVFWFLSA-N 400.544 3.400 0 40 HGAB Cc1cc(C(=O)O)ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCO)o1 223595820 FZKULIQTCCYIOC-VQTJNVASSA-N 423.494 3.313 0 40 HGAB CCc1cc(S(=O)(=O)NCc2ccc(OC3CCN(C)CC3)cc2)ccc1OC 223712016 RHWAVNVHHKWDIG-UHFFFAOYSA-N 418.559 3.209 0 40 HGAB CC[C@H](C(=O)N[C@H](C)CCc1ccccc1)N(c1ccc(OC)cc1)S(C)(=O)=O 220650581 PCAHSXNSWBKPPS-DYESRHJHSA-N 418.559 3.377 0 40 HGAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1-n1cnnc1 223336017 OICLSZPHKRETLD-VQTJNVASSA-N 419.514 3.169 0 40 HGAB CN(Cc1nc(-c2cccc(Br)c2)no1)S(=O)(=O)c1cccs1 95481637 UVMWDOKANSCECJ-UHFFFAOYSA-N 414.306 3.381 0 40 HGAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)N2c3ccccc3C[C@H]2C)cc1 260736913 JIOQZGBUCCYMDG-MRXNPFEDSA-N 402.516 3.074 0 40 HGAB CC(=O)N1Cc2ccc(NC(=O)N[C@@H](C)c3cccc(N4CCOC4=O)c3)cc2C1 1116213452 JFKOFGXNTLHPJI-AWEZNQCLSA-N 408.458 3.388 0 40 HGAB CCOc1ccc(Cc2nnc(SCC(=O)Nc3ccc(C)cc3)[nH]c2=O)cc1 5154683 FFTBUBRXWQSPSB-UHFFFAOYSA-N 410.499 3.194 0 40 HGAB COc1cc([C@@H]2c3cc4c(cc3O[C@@](C)(OC)[C@@H]2C(C)=O)OCO4)cc(OC)c1O 5663575 LZWQTIFDUCCYTH-KCZVDYSFSA-N 416.426 3.230 0 40 HGAB Cc1cc(=O)c(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)nn1-c1ccccc1Cl 14092893 IZPZUIDIGYWROX-GOSISDBHSA-N 422.916 3.199 0 40 HGAB Cn1c(=O)n(C)c2cc([C@@H](O)COc3ccc(CNC4CCCCC4)cc3)ccc21 16363897 GPPXMIQGKGMCDQ-QHCPKHFHSA-N 409.530 3.412 0 40 HGAB COc1cccc([C@H](NC(=O)[C@@H]2CC(=O)N(Cc3cccnc3)C2)c2ccccc2)c1 19564881 TXVPPTBAVQCFOQ-ZJSXRUAMSA-N 415.493 3.345 0 40 HGAB CCOc1cc([C@@H]2C(C(=O)OCCc3ccccc3)=C(C)Nc3ncnn32)ccc1O 938911 BJSMTCAMDACWON-OAQYLSRUSA-N 420.469 3.457 0 40 HGAB CC(C)[C@H](OC(=O)C[C@@H]1Sc2ccccc2NC1=O)C(=O)NCc1ccccc1 4967081 KVCKDYJGCAHISW-ICSRJNTNSA-N 412.511 3.374 0 40 HGAB CS(=O)(=O)c1ccc(CC(=O)N2CCC(c3nc4ccccc4cc3N)CC2)cc1 12087793 WAZGTLBBXJQWQY-UHFFFAOYSA-N 423.538 3.169 0 40 HGAB Cc1cc(C)cc(O[C@H](C)C(=O)N2CCC[C@H](c3noc(-c4cnccn4)n3)C2)c1 12187663 MTPNLZKJKWZFPS-SJORKVTESA-N 407.474 3.317 0 40 HGAB CC(C)c1cc(C(F)(F)F)n2nc([C@@H]3CCN(C(=O)c4cncnc4)C3)cc2n1 12220428 BLFTZPQTUSPRHR-GFCCVEGCSA-N 404.396 3.291 0 40 HGAB CC1(C)CN(C(=O)Nc2cnn(Cc3ccc(Cl)cc3)c2)C[C@@]2(CCOC2)O1 562408636 VIWMKOMFPBQDKG-HXUWFJFHSA-N 404.898 3.387 0 40 HGAB O=C(CSc1nc(=O)n(Cc2ccccn2)c2c1CCC2)Nc1ccccc1F 5263883 PKYZAECANKLUFG-UHFFFAOYSA-N 410.474 3.045 0 40 HGAB COc1ccc(C(=O)Nc2nc3c(s2)CC[C@H]3C(=O)NCc2cccnc2)cc1 8979843 QXGCIQOEEREKMK-MRXNPFEDSA-N 408.483 3.145 0 40 HGAB COC(=O)[C@@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)c1ccc(-n2cccc2)cc1 206800766 XFDNWWXOVCALPV-QUCCMNQESA-N 408.429 3.452 0 40 HGAB COc1ccccc1N1CCN(CC(=O)N2CCS[C@@H](c3ccco3)CC2)C1=O 219427186 BNELSCVQWNVORC-LJQANCHMSA-N 415.515 3.237 0 40 HGAB O=C(NC(=S)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)c1ccc(Cl)cc1Cl 16031122 VARQQTKKMLANOU-NWDGAFQWSA-N 422.337 3.289 0 40 HGAB biogenic C[C@H]1C[C@@H](C)CN(Cc2csc(NC(=O)CNC(=O)Cc3cccc(F)c3)n2)C1 40145275 HCUCCDYUPLVMJT-GASCZTMLSA-N 418.538 3.058 0 40 HGAB CCn1c(SCC(=O)Nc2ccccc2C(=O)OC)nnc1-c1ccc(O)cc1 907358 YLSMTRSHBZFJIZ-UHFFFAOYSA-N 412.471 3.188 0 40 HGAB COC(=O)CN(C(=O)c1cc2ccccc2oc1=O)c1ccc(Br)cc1 998773 VTGNRSPNYPQOSP-UHFFFAOYSA-N 416.227 3.375 0 40 HGAB O=c1c2c3c(sc2n(CCN2CCCC2)c(=O)n1Cc1ccco1)CCCCC3 2326752 WKFKCGKWWICLCM-UHFFFAOYSA-N 413.543 3.231 0 40 HGAB aggregator COc1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@@H]2c2ccccc2F)c(OC)c1 2357724 VTNYIVYPKDPRCE-LJQANCHMSA-N 409.421 3.362 0 40 HGAB Cn1nc(C(=O)N(C[C@H]2CCCO2)c2nc3ccccc3s2)c2ccccc2c1=O 2625640 MHCISEJBRUWONZ-CQSZACIVSA-N 420.494 3.369 0 40 HGAB O=S(=O)(c1cccc(NC(=S)N2CCN(c3ccccc3)CC2)c1)C(F)F 2709004 WAOXRKSTEPNQHX-UHFFFAOYSA-N 411.499 3.202 0 40 HGAB CCn1cc(CN(C)C(=O)[C@@H](C)n2nc(C(F)(F)F)c(Br)c2C)cn1 2778942 LOXKIAJKLAOFCW-SNVBAGLBSA-N 422.249 3.409 0 40 HGAB Cc1ccc(C)c(OC(=O)/C=C/c2ccc(S(=O)(=O)N3CCOCC3)cc2)c1C 3373221 JLOZSYOOOOWTMB-DHZHZOJOSA-N 415.511 3.252 0 40 HGAB O=S(=O)(NCCc1csc(-c2ccccc2)n1)c1ccc2c(c1)OCCO2 4115458 XBFOVYYRPDFWGH-UHFFFAOYSA-N 402.497 3.102 0 40 HGAB CC1(C)O[C@@H]2O[C@@H](C(=O)Oc3cccc4ccccc34)[C@H]3OC(C)(C)O[C@H]3[C@H]2O1 4303769 NHZBMHKKEJZBSF-ZIVNCQHPSA-N 400.427 3.142 0 40 HGAB CC1=C(C(N)=O)[C@H](c2ccc(F)cc2)N2NC(SCc3ccccc3F)=NC2=N1 4574816 HNSNTOFJDVIKNP-KRWDZBQOSA-N 413.453 3.244 0 40 HGAB CCc1cccc2c(C(=O)CN3C(=O)N[C@](C)(c4ccc5c(c4)OCO5)C3=O)c[nH]c12 4787610 GCGNTFIXFWMZTP-HSZRJFAPSA-N 419.437 3.109 0 40 HGAB CC(C)CCNC(=O)CN(C(=O)CCC(=O)Nc1ccccn1)c1ccc(F)cc1 4848283 FMWUROHEWQQGOP-UHFFFAOYSA-N 414.481 3.135 0 40 HGAB COc1ccccc1/C=C(/C(=O)OCC(=O)N1C[C@@H](C)O[C@H](C)C1)c1ccccc1 4995825 YRMVOLBATSZWRK-QIBHQFNGSA-N 409.482 3.415 0 40 HGAB CCN(CC)CCCNC(=O)c1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1 5043529 AQZUUPMUTGQWEW-UHFFFAOYSA-N 409.412 3.470 0 40 HGAB COc1ccc(C)cc1NC(=O)C(=O)Nc1ccc2c(c1)N(C(=O)C1CC1)CCC2 5252873 YGUFPYUDBNCIHP-UHFFFAOYSA-N 407.470 3.270 0 40 HGAB CCOC(=O)c1ccc(N2C(=O)C[C@@H](NCCc3c[nH]c4ccc(C)cc34)C2=O)cc1 5274577 NKDLBWHEJZNRDE-OAQYLSRUSA-N 419.481 3.117 0 40 HGAB Cc1n[nH]c(SCC(=O)Nc2cc(Br)ccc2Br)n1 5677440 UINAMHQNHPZONE-UHFFFAOYSA-N 406.103 3.369 0 40 HGAB COc1ccc2ncc(S(=O)(=O)c3ccc(C)cc3)c(N3CCN(C)CC3)c2c1 5931995 IKLBDDCZXNDYLP-UHFFFAOYSA-N 411.527 3.136 0 40 HGAB C[C@@H](OC(=O)C1CCN(C(=O)Nc2ccccc2)CC1)C(=O)NC1CCCCC1 5970804 AYODZSUJGWGKRJ-MRXNPFEDSA-N 401.507 3.311 0 40 HGAB CCc1ccc(CN(C(=O)[C@@H](C)Oc2ccccc2F)[C@H]2CCS(=O)(=O)C2)cc1 6604258 HIJWIUXBJCOFRF-APWZRJJASA-N 419.518 3.371 0 40 HGAB COC(=O)c1ccccc1NC(=O)c1cnc2scc(-c3ccccc3)n2c1=O 6626822 LLPDRIDVUSSDLI-UHFFFAOYSA-N 405.435 3.462 0 40 HGAB COc1cccc([C@@H]2c3c(-c4c(C)cc(C)cc4O)n[nH]c3C(=O)N2CCCO)c1 6743249 VRNJSSJQZKMSPB-JOCHJYFZSA-N 407.470 3.335 0 40 HGAB COc1ccc(C2(CNC(=O)C(=O)Nc3ccc(C)c(Cl)c3)CCOCC2)cc1 6758537 WWOXQBUUVVBQAE-UHFFFAOYSA-N 416.905 3.460 0 40 HGAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2c(Cl)cccc2Cl)cc1 6824063 RTOGNJAUHMQBAP-SNVBAGLBSA-N 403.287 3.308 0 40 HGAB O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)CCCC1=O)c1ccc(F)cc1 7881771 KTUSXMLSNSFGCA-UHFFFAOYSA-N 402.809 3.258 0 40 HGAB COCCNC(=O)c1nc(-c2ccc(Br)cc2)n(-c2ccc(C)cc2)n1 8476273 NJBSIDANHRJFJI-UHFFFAOYSA-N 415.291 3.381 0 40 HGAB Cc1c(CC(=O)N[C@H](C)Cc2c[nH]c3ccccc23)c(=O)oc2cc(O)cc(O)c12 8764572 WEKDSHIEBDHNIT-GFCCVEGCSA-N 406.438 3.284 0 40 HGAB biogenic COC(=O)c1cccc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)c1 10440779 UEXPRVMOIIHSCJ-UHFFFAOYSA-N 422.890 3.163 0 40 HGAB CCCCSc1nnc(NC(=O)c2nn(-c3ccc(F)cc3)ccc2=O)s1 11915091 MUEMGDMECJNEQF-UHFFFAOYSA-N 405.480 3.368 0 40 HGAB CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)c1ccc(-n2cccc2)cc1 12551919 NYLRSKQTLSKUGY-UHFFFAOYSA-N 418.497 3.025 0 40 HGAB Cc1ccn2cc(C(=O)N(C)CC(=O)Nc3ccccc3Br)nc2c1 12603892 IPTNKUUSABVEBZ-UHFFFAOYSA-N 401.264 3.116 0 40 HGAB CCn1c(=O)c(=O)[nH]c2cc(C(=O)NCc3ccc(-c4csc(C)n4)cc3)ccc21 12614127 KVKHSRZVHOIPIH-UHFFFAOYSA-N 420.494 3.072 0 40 HGAB COc1cc(OC)cc([C@@H](NC(=O)CCc2nc3ccccc3o2)c2nccn2C)c1 12628832 DKPXHHUSVUSNAN-JOCHJYFZSA-N 420.469 3.417 0 40 HGAB COc1cc(C(C)=O)ccc1OCC(=O)Nc1cc(Cl)ccc1-n1cncn1 13005599 ZAELSTVNIOCWMP-UHFFFAOYSA-N 400.822 3.149 0 40 HGAB CC(=O)c1ccc(S(=O)(=O)N(CC(=O)N(C(C)C)C(C)C)Cc2ccco2)cc1 13063477 IIGIZQRVZBFLBM-UHFFFAOYSA-N 420.531 3.319 0 40 HGAB Cc1cccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)c1 13096539 UUDVAMMLWXINRL-UHFFFAOYSA-N 408.545 3.361 0 40 HGAB Cc1cc(C)n2nc(C(=O)Nc3nc(-c4ccc5c(c4)CCC(=O)N5)cs3)nc2n1 13110010 BQONXJOBNPUSRI-UHFFFAOYSA-N 419.470 3.002 0 40 HGAB O=C(Nc1ccc(C(=O)O)cc1)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccco1 13124095 SOOTYNXHYFRPCQ-MHWRWJLKSA-N 420.377 3.116 0 40 HGAB COc1ccc(-c2ccc(N3CCN(C(=O)c4c(F)cccc4F)CC3)nn2)cc1 13657575 LPDPIICLUJKRQI-UHFFFAOYSA-N 410.424 3.393 0 40 HGAB COc1ccc(C)cc1[C@H](C)NC(=O)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(C)C 14183534 LZSNDQQHAYWWRQ-LAUBAEHRSA-N 418.559 3.492 0 40 HGAB O=C(Nc1nc(-c2ccccc2)cs1)c1cc(S(=O)(=O)N2CCCC2)c[nH]1 14705360 DDZJKALQCLQDTG-UHFFFAOYSA-N 402.501 3.175 0 40 HGAB Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)c3csc4c3CCCC4)CC2)c1 15554022 BEDLCXLIGDBAAE-UHFFFAOYSA-N 418.584 3.390 0 40 HGAB Cc1ccc(NC(=O)c2ccc(-n3cncn3)cc2)cc1I 15757004 PKSNAOSQLGUZFL-UHFFFAOYSA-N 404.211 3.433 0 40 HGAB Cc1nc(NC(=S)NC(=O)c2ccc(F)cc2)ccc1I 17090191 MFOODUAAZHNAHA-UHFFFAOYSA-N 415.231 3.261 0 40 HGAB O=C(C1CC1)N1CCCc2cc([C@H](O)CN3CCN(c4ccccc4F)CC3)ccc21 19349906 WQJZLIYRUVAUOZ-XMMPIXPASA-N 423.532 3.371 0 40 HGAB CCCc1cc(C(=O)N2CCCC[C@H]2c2nc(O)c3c(n2)CCN(C(C)C)C3)no1 19525342 AEKPLOYCTUMCRT-IBGZPJMESA-N 413.522 3.257 0 40 HGAB COc1ccc(OC)c([C@@H]2CN(Cc3ccccc3)C[C@H]2NC(=O)c2ccccn2)c1 19552630 KDOUOYNXWVIIFN-JTHBVZDNSA-N 417.509 3.497 0 40 HGAB COc1ccc(CC(=O)N2C[C@@H]3CCCCN(Cc4cccnc4)[C@@H]3C2)cc1OC 19560563 PYKTVKKFQOFWAH-LEWJYISDSA-N 409.530 3.154 0 40 HGAB CN(C(=O)c1c[nH]nc1C1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccccc1 19586768 GUFHNQLLIXCNNS-UHFFFAOYSA-N 424.526 3.255 0 40 HGAB COCC(=O)N1CC[C@@H](c2cc3nc(-c4cccs4)cc(C(F)(F)F)n3n2)C1 19592722 RDCYZCCHIHBKNF-LLVKDONJSA-N 410.421 3.439 0 40 HGAB Cc1cc(-c2cnc(N)nc2)cc(C2CCN(CC(=O)Nc3ccccc3F)CC2)n1 19692116 JHGFLBFPZPXSKL-UHFFFAOYSA-N 420.492 3.386 0 40 HGAB COCCn1c(C)c(C)c2cc(NC(=O)CN3CC(=O)Oc4ccccc43)ccc21 19716788 BYBHXNIUNFUBFI-UHFFFAOYSA-N 407.470 3.269 0 40 HGAB CCN(CC(=O)Nc1cccc(OC)c1)S(=O)(=O)c1ccc(OC)c(Cl)c1 19930191 YODIDYWKKCIPGR-UHFFFAOYSA-N 412.895 3.007 0 40 HGAB O=C(Nc1ccc(I)cc1)c1cnc(-c2ccccc2)[nH]c1=O 19937226 ONJRPZVKMJRUGB-UHFFFAOYSA-N 417.206 3.294 0 40 HGAB COc1cc(NC(=O)Cn2nc(-c3ccccc3)c3c(c2=O)CCCC3)cc(OC)c1 20095774 MZGXMOUVSDTQRW-UHFFFAOYSA-N 419.481 3.445 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)NCc1ccc(OC(C)C)cc1 20453359 CEJAZXFVJBFDEW-UHFFFAOYSA-N 416.543 3.497 0 40 HGAB Cc1nn(-c2ccccc2)nc1C(=O)N[C@@H](c1ccc(Cl)cc1)c1nccn1C 21600991 PDSOGIPFDOQHOV-IBGZPJMESA-N 406.877 3.482 0 40 HGAB C[C@@]1(c2ccco2)NC(=O)N(C[C@H](O)COc2ccc(-c3ccccc3)cc2)C1=O 21702799 KPICOITVSGFVJH-MBSDFSHPSA-N 406.438 3.154 0 40 HGAB CC[C@H](NC(=O)CN(c1cccc(C)c1)S(C)(=O)=O)c1ccc(OC)c(OC)c1 22327675 YMXXASMVOAOJJU-SFHVURJKSA-N 420.531 3.046 0 40 HGAB CSc1nc2nc(C)c(CC(=O)NCc3coc(-c4cccs4)n3)c(C)n2n1 22378658 BZXMQICRZJJSDG-UHFFFAOYSA-N 414.516 3.038 0 40 HGAB CC[C@@H](C(=O)N(C)Cc1ccccc1OC)N(c1ccc(F)cc1)S(C)(=O)=O 22532341 XGDBFEFMNOPTOD-SFHVURJKSA-N 408.495 3.038 0 40 HGAB O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCN(Cc2cccs2)CC1 24574114 QUNJWMLBXWEEDR-UHFFFAOYSA-N 406.451 3.153 0 40 HGAB CN(Cn1nc2n(C)c(=O)c3ccccc3n2c1=S)C1C2CC3CC(C2)CC1C3 24657474 ZAQGONSRMIKSMJ-UHFFFAOYSA-N 409.559 3.431 0 40 HGAB O=S(=O)(c1ccc2c(c1)OCCO2)N1CCC[C@H](c2nc3ccccc3o2)C1 24683573 WRDWDFRKEHNEJA-AWEZNQCLSA-N 400.456 3.167 0 40 HGAB COC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2cccnc2SC)CC1 25156276 NBAVDWSMKCBLES-KRWDZBQOSA-N 419.934 3.129 0 40 HGAB Cc1cc(N2CCN(C)CC2)ccc1NC(=O)[C@@H]1CC(=O)N(c2cccc(C)c2C)C1 29369691 NTHWFDBNQCQIAK-HXUWFJFHSA-N 420.557 3.355 0 40 HGAB COC(=O)c1ccc(S(=O)(=O)N(Cc2ccc(OC)cc2)[C@H](C)C2CC2)cc1 31656725 YIMYOXHWHJPGFB-OAHLLOKOSA-N 403.500 3.471 0 40 HGAB C[C@@H](OC(=O)C1CCN(C(N)=O)CC1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 32950486 RSKXQMSMMJQAPN-SECBINFHSA-N 421.803 3.020 0 40 HGAB CC(C)c1c(C(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)cnn1-c1ccccn1 36834450 MJTDUYLVRBFUAY-OAHLLOKOSA-N 412.515 3.285 0 40 HGAB CCOC(=O)c1ccc(NC(=O)c2ccc(NS(C)(=O)=O)cc2Cl)c(C)c1 38755435 UGJMPKJEHOCFQO-UHFFFAOYSA-N 410.879 3.449 0 40 HGAB CCOC(=O)N1CCC(C(=O)Nc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)CC1 40145476 JZKGNWHBGBMUMU-GASCZTMLSA-N 407.486 3.246 0 40 HGAB CCCN(CCC)S(=O)(=O)c1c(C)nn(CC(=O)N[C@@H]2CCCC[C@H]2C)c1C 40155633 UXRKAUBWJLDKRE-CRAIPNDOSA-N 412.600 3.006 0 40 HGAB O=C(NC[C@@H]1COc2ccccc2O1)c1cnn(-c2ccc(Br)cc2)c1 44288606 KQHXVAHBCRAUHA-MRXNPFEDSA-N 414.259 3.205 0 40 HGAB CCOc1cccc(CNS(=O)(=O)c2ccc(OC)c(Br)c2)c1 44880159 BTACLHBUQWFWKC-UHFFFAOYSA-N 400.294 3.335 0 40 HGAB C[C@H]1CCCC[C@@H]1OCCNC(=O)c1ccc(S(=O)(=O)Nc2ccncc2)cc1 48253063 ULYGFFWWTJNVLA-JXFKEZNVSA-N 417.531 3.208 0 40 HGAB CC(=O)c1ccc(N2CCN(C(=O)c3nnn(-c4cccc(Cl)c4)c3C)CC2)cc1 51317406 LGNRGYGNZDQZDA-UHFFFAOYSA-N 423.904 3.394 0 40 HGAB Cc1ccc(C(=O)NC2CCN(C(=O)NCC(C)(C)N3C[C@@H](C)C[C@H](C)C3)CC2)o1 51711893 VOFCGFKUAHMWQY-IRXDYDNUSA-N 418.582 3.248 0 40 HGAB COC(=O)Cc1csc(NC(=O)c2c(Br)c3ccccc3n2C)n1 52776966 FWAHZQUYFXMLJV-UHFFFAOYSA-N 408.277 3.365 0 40 HGAB COc1cccc(NC(=O)Cn2c(=O)n(-c3ccccc3C)c(=O)c3sccc32)c1 57489613 ZHEVDJCJGYEPCM-UHFFFAOYSA-N 421.478 3.170 0 40 HGAB O=C(c1cccn1Cc1ccncc1)N1CCCN(c2nc3ccccc3[nH]2)CC1 69971304 DXTSVHDMRRBSJP-UHFFFAOYSA-N 400.486 3.160 0 40 HGAB O=C(CCn1c(=O)oc2cc(Cl)ccc21)NCc1cccnc1N1CCCCC1 70038971 KIFFYTXWAZBIDP-UHFFFAOYSA-N 414.893 3.340 0 40 HGAB O=C(CNc1cccc(-c2ccc(Cl)c(Cl)c2)c1)N[C@@H]1CCS(=O)(=O)C1 71818408 PSCPDDVRJGIUSW-OAHLLOKOSA-N 413.326 3.376 0 40 HGAB COc1cccc(OC)c1CN1CCC[C@H](c2cc(=O)[nH]c(-c3ccncc3)n2)C1 72392906 IIVYWXJKJIUODX-KRWDZBQOSA-N 406.486 3.229 0 40 HGAB CC(C)(C)OC(=O)N[C@H]1CCCC[C@@H]1NC(=O)C=C1CN(C(=O)OC(C)(C)C)C1 95444723 MVIWNPCBGXDBEP-HOTGVXAUSA-N 409.527 3.116 0 40 HGAB O=C1C[C@H](N2CCN(Cc3ccccc3)CC2)C(=O)N1c1cccc(Cl)c1Cl 101274487 MWALJNGLAZDONW-SFHVURJKSA-N 418.324 3.443 0 40 HGAB O=C(NCc1cccnc1)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(Cl)cc2)CC1 101494812 LDVSMQMIORMEAR-WOVMCDHWSA-N 421.950 3.136 0 40 HGAB CC(C)(C)C(=O)[C@@H]1[C@H]2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]2[C@H]2C=CC=NN12 104130094 VGVXLUAWOCBZCS-WCVJEAGWSA-N 420.296 3.323 0 40 HGAB CCOC(=O)CN(c1ccc(OC)cc1OC)S(=O)(=O)c1ccc(Cl)cc1 113893587 NTOKITLQGDCBOE-UHFFFAOYSA-N 413.879 3.116 0 40 HGAB Cc1ccccc1OC[C@@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 219258542 VLEDTPWRAUEXKV-IAGOWNOFSA-N 422.572 3.041 0 40 HGAB COc1ccc([C@@H](C)NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)cc1 223065167 JFUCSNJZLSGEMG-IEBWSBKVSA-N 416.543 3.282 0 40 HGAB COc1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)c1 223626974 JTRJRHKQMLULCB-RTWAWAEBSA-N 408.527 3.236 0 40 HGAB CCCSc1nnc(NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)CC)s1 223661636 CFWJDIMDZGJASD-UHFFFAOYSA-N 412.562 3.140 0 40 HGAB COc1ccc(-c2nnc(NC(=O)c3ccc(NS(C)(=O)=O)c(C)c3)s2)cc1 224288105 IVIFLIGQCACZQF-UHFFFAOYSA-N 418.500 3.146 0 40 HGAB COc1cccc(N([C@@H](C)C(=O)Nc2ccc(N3CCCC3)cc2)S(C)(=O)=O)c1 224929544 IZZVNRMBKBVDOR-INIZCTEOSA-N 417.531 3.089 0 40 HGAB CN(c1ccc(CC(=O)N2CCC(Cc3ccccc3)CC2)cc1)S(C)(=O)=O 225977865 UDQUZDGKCPHNGE-UHFFFAOYSA-N 400.544 3.106 0 40 HGAB Cc1cccc(C)c1N(CN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@@H]34)[C@H]2C1=O)C(=O)C(F)(F)F 226400912 NAYGKMWJHAHOFD-IKIFYQGPSA-N 418.415 3.209 0 40 HGAB CCOc1ccc(NC(=O)[C@H](CC(C)C)N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1OC 245237735 UDXLSOKDQGPVSA-KURKYZTESA-N 414.502 3.398 0 40 HGAB Cc1nc([C@@H]2CCCN(C(=O)c3cccnc3)C2)nc(C)c1CC(=O)NC1CCCC1 257219337 DGLNMHPAKQZUNM-LJQANCHMSA-N 421.545 3.110 0 40 HGAB CC(=O)Nc1ccc([C@H]2OCC[C@@]34C[C@@H](C[C@H]23)C(C)(C)[C@@H]4NC(=O)CCO)cc1 257262583 LLZUGSKUIBUDHN-CSSXWCHRSA-N 400.519 3.026 0 40 HGAB Cc1nc([C@@H]2CCN(C(=O)C(C)C)C2)nc2c1CC(=O)N2CCc1ccccc1F 257319141 VQYHBKGPGZLRPW-QGZVFWFLSA-N 410.493 3.028 0 40 HGAB C[C@H](C(=O)Nc1ccc(Br)cc1)N(c1ccc(F)cc1)S(C)(=O)=O 408557686 OHCFTGJVHNKDSF-LLVKDONJSA-N 415.284 3.381 0 40 HGAB COCCNC(=O)CSc1nnc(CCc2ccccc2)n1-c1ccc(C)cc1 409216808 OPCXLJQVXZRKPD-UHFFFAOYSA-N 410.543 3.216 0 40 HGAB Cc1cc(=O)oc2c3c(cc(OCC(=O)NCCn4cccc4)c12)OC(C)(C)CC3 524731585 CRQOHPXCVZAUIT-UHFFFAOYSA-N 410.470 3.202 0 40 HGAB biogenic CNC(=O)c1ccc(C(=O)NCc2ccc(-c3ccc4c(c3)C[C@@H](C)O4)cc2)cn1 535311564 ZUXZDOVCMWWGEF-OAHLLOKOSA-N 401.466 3.362 0 40 HGAB Cc1nc(Nc2ncc(C)s2)cc([C@@H]2CCCCN2C(=O)/C=C/CN(C)C)n1 585292513 NUKGLWYIAGPDIM-LKUPDRCFSA-N 400.552 3.465 0 40 HGAB CS(=O)(=O)N[C@@H]1CCCN(C(=O)N[C@H]2CCC[C@H](c3ccc(Cl)cc3)C2)C1 1682121177 FWQDORLQZMEVRC-RYQLBKOJSA-N 413.971 3.089 0 40 HGAB C[C@H]1CN(CCCn2c(-c3cccnc3)nnc2N(C)Cc2ccco2)CCCO1 1693834919 AXKSCYMOVAZIMH-SFHVURJKSA-N 410.522 3.070 0 40 HGAB Cc1nc2c(c(N3C[C@H]4CN(C(=O)c5ccc(COC(C)C)o5)C[C@H]4C3)n1)CCC2 1888882273 PWXMULDEKLYBJE-CALCHBBNSA-N 410.518 3.000 0 40 HGAB Cc1nc(-c2ccc(S(=O)(=O)N3CC[C@H](COc4ccc(F)cn4)C3)cc2)co1 1889255069 KTFFEPDWTIYRGQ-HNNXBMFYSA-N 417.462 3.274 0 40 HGAB COc1ccc(OC)c(NC(=O)CCc2ccc(S(=O)(=O)NCC(C)C)cc2)c1 983484 FHCVZRKKZIUKSN-UHFFFAOYSA-N 420.531 3.209 0 40 HGAB COc1cccc(-c2nnc(SCC(=O)N3CCOCC3)n2-c2ccc(C)cc2)c1 3427184 HQAWUYTWJAQPML-UHFFFAOYSA-N 424.526 3.202 0 40 HGAB COCCCNC(=S)N(Cc1cccnc1)Cc1cc2cccc(C)c2[nH]c1=O 4127154 GQSWBQSTVSCLFR-UHFFFAOYSA-N 410.543 3.145 0 40 HGAB Cc1ccc(S(=O)(=O)NC[C@H](c2ccco2)S(=O)(=O)c2ccc(C)cc2)cc1 4519401 UAFBVZXAKHXNNC-HXUWFJFHSA-N 419.524 3.390 0 40 HGAB COc1ccc([C@H](C)N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)OCc3ccccc3)[C@@H]4C2=O)cc1 4555092 IWQFKCBKKFOHQE-UYQKPMCXSA-N 419.477 3.282 0 40 HGAB CCc1ccc(NC(=O)CSc2nnc(Cc3ccc(OC)cc3)c(=O)[nH]2)cc1 5154705 XCLFAPRJRMJWCL-UHFFFAOYSA-N 410.499 3.058 0 40 HGAB COc1ccc(N2C[C@@H](NC(=O)Nc3ccc(Br)cc3)CC2=O)cc1 5191179 GIBPBJKOXNLXIG-AWEZNQCLSA-N 404.264 3.385 0 40 HGAB Cc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)c(C)n1-c1cccc(F)c1 6235905 QXKVVJUOTXKTFT-VXLYETTFSA-N 407.401 3.488 0 40 HGAB O=C(N[C@H]1CCSc2ccccc21)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 6589544 MBRWRHQZAIPSBQ-PBHICJAKSA-N 410.495 3.164 0 40 HGAB O=C(Nc1ccc(Cl)cc1F)[C@@H]1CCCN1S(=O)(=O)c1ccccc1F 6602345 QOEFVACCUQHZOF-HNNXBMFYSA-N 400.834 3.410 0 40 HGAB CC(=O)c1sc(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)nc1C 6790244 JRBLOABHCSVLHI-UHFFFAOYSA-N 407.517 3.081 0 40 HGAB C[C@@H](SC(=S)N(C)C)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 6832146 PAJZGDBJDUNGQN-LLVKDONJSA-N 421.510 3.449 0 40 HGAB Cc1cc(C(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)c(C)n1CC(F)(F)F 6946254 IAWRJXLHNZJQQB-IBGZPJMESA-N 407.392 3.317 0 40 HGAB CC1(C)C(=O)Nc2ccccc2N1C(=O)COc1ncnc2sc3c(c12)CCC3 7001356 GPVPZMLNDWQREP-UHFFFAOYSA-N 408.483 3.323 0 40 HGAB CN(C)C(=O)[C@H](OC(=O)c1ccc(Cl)c(N2CCCC2=O)c1)c1ccccc1 7377113 CLXBPARVEUTFDO-LJQANCHMSA-N 400.862 3.453 0 40 HGAB COC(=O)CCCNC(=O)CSc1nc(C2CCCCC2)n(-c2ccccc2)n1 7727877 KWBRNRYZRYPKSJ-UHFFFAOYSA-N 416.547 3.477 0 40 HGAB COC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N2CC[C@H](C)Sc3ccccc32)c1C 8275138 QLAKXXLKKPYOSH-LBPRGKRZSA-N 416.499 3.492 0 40 HGAB Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3cc(Br)cs3)C2=O)cc1 9260570 ZLVIVCBGBUNKBO-VGOFMYFVSA-N 420.288 3.350 0 40 HGAB Cc1cc(-n2c(C)cc(/C=C/C(=O)Nc3cccc(-c4nnnn4C)c3)c2C)no1 10091809 IMKUGXFXADQTFB-CMDGGOBGSA-N 403.446 3.233 0 40 HGAB COc1ccc(CNC(=O)C[C@@H]2Sc3ccc(C(F)(F)F)cc3NC2=O)cn1 10991770 BXSFHLAKUQLPBL-AWEZNQCLSA-N 411.405 3.228 0 40 HGAB CC[C@@H](Oc1cccc(OC)c1)C(=O)N1[C@H]2CC[C@@H]1c1cnc3cc(C)nn3c1C2 12155503 XWQXYHPONSFDKI-NYSBEXSLSA-N 406.486 3.492 0 40 HGAB COc1ccccc1O[C@H](C)C(=O)N1CCC(c2noc(-c3ccncc3)n2)CC1 12219692 DPSFTQAKUIPHKD-OAHLLOKOSA-N 408.458 3.314 0 40 HGAB CC(C)CNc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccsc1 12522495 RARMEPVTICLDMQ-UHFFFAOYSA-N 423.560 3.089 0 40 HGAB Cc1cccc(OCC(=O)Nc2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)c1 12799067 BAJKRPSKRSWBNV-QGZVFWFLSA-N 402.516 3.433 0 40 HGAB CCCCn1c(N)c(N(CCC)C(=O)/C=C/c2ccc(Cl)cc2)c(=O)[nH]c1=O 13041699 NTSPKUVEUAQXRO-DHZHZOJOSA-N 404.898 3.029 0 40 HGAB COc1ccc(C(=O)Nc2cccc(OCc3cc(=O)n4oc(C)cc4n3)c2)cc1 13368502 QBIVMLTUHXKKDE-UHFFFAOYSA-N 405.410 3.436 0 40 HGAB Cc1ccccc1NS(=O)(=O)c1cc(C)n(S(=O)(=O)c2ccccc2)c1C 13585887 LCEVJLRVWGNEFX-UHFFFAOYSA-N 404.513 3.451 0 40 HGAB COc1cccc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)N[C@H](C)CCCC(C)C)[C@@H]4C2=O)c1 13606831 ZYQVPVZYFQKFEK-OREFEKLXSA-N 412.530 3.313 0 40 HGAB O=C(C[C@@H]1SC(Nc2ccc3c(c2)OCCO3)=NC1=O)Nc1ccc(F)cc1F 14117783 HUEZHXSCGNERNM-INIZCTEOSA-N 419.409 3.175 0 40 HGAB CN(CCCNC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)Cc1ccccc1 14251511 XSFZQFKIAXSQIO-UHFFFAOYSA-N 411.521 3.316 0 40 HGAB COc1ccc(OC)c(S(=O)(=O)Nc2ccc(I)cc2)c1 14254448 UPHBGFDIPCQAKQ-UHFFFAOYSA-N 419.240 3.109 0 40 HGAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1cc(Cl)c(OC)c(OC)c1 14587110 QCXRHZHTAQXLMK-UHFFFAOYSA-N 409.822 3.413 0 40 HGAB COc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)N[C@H](C)CCc1ccccc1 16576296 UEJNZMXCEZDWAR-OAHLLOKOSA-N 424.950 3.107 0 40 HGAB CN(CC(=O)NCCSCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 18150038 CONYWLSEJAQYAQ-UHFFFAOYSA-N 412.964 3.010 0 40 HGAB O=C(c1cccnc1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CN(C1CCCCC1)CC2 19337648 NJWOHLZSGDYNHW-OAQYLSRUSA-N 421.545 3.223 0 40 HGAB C[C@H](Cn1cnc2ccccc21)C(=O)Nc1ccnn1Cc1ccc2c(c1)OCO2 19457780 WLLWNVHMISAMJX-OAHLLOKOSA-N 403.442 3.285 0 40 HGAB CCNC(=O)[C@@]1(Cc2ccccc2-c2ccc(F)cc2)CN(C(=O)C(C)C)CCO1 19529208 CDSVLTFWWBLZIW-XMMPIXPASA-N 412.505 3.425 0 40 HGAB COc1cccc(OC)c1OCC(=O)N1CCc2onc(Nc3ccccc3)c2C1 19568223 PLTSLKXUSRTAGX-UHFFFAOYSA-N 409.442 3.399 0 40 HGAB Cc1cc(C)n(-c2cccc(C(=O)Nc3ccc4c(c3)CCN4S(C)(=O)=O)c2)n1 19574771 ZVAIJTRQSDVMHP-UHFFFAOYSA-N 410.499 3.064 0 40 HGAB CNc1nc([C@@H]2CCCCN2C(C)=O)nc2c1CN(C(=O)CC1CCCCC1)CC2 19710854 XSRLMAALIMOXBB-FQEVSTJZSA-N 413.566 3.447 0 40 HGAB C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@H]2NC(=O)CN1CCOCC1 20113518 DMLFUNWWXDIAEI-RYUVVSRQSA-N 418.622 3.207 0 40 HGAB O=C(c1cc(F)ccc1-n1cnnn1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 20738603 VTRRAFLMWQVEHE-UHFFFAOYSA-N 421.263 3.071 0 40 HGAB CCOC(=O)[C@@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@H]1c1ccc(CC)cc1 20802140 XEAZBKHMCCVLHR-SFTDATJTSA-N 421.497 3.360 0 40 HGAB CC(C)N(C(=O)[C@H](C)OC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1)C(C)C 21602588 HQIODRAJYPQMBF-LBPRGKRZSA-N 403.306 3.300 0 40 HGAB CSc1ccc([C@@H](C)NC(=O)COc2ccc(N(C)S(C)(=O)=O)cc2)cc1 22230883 KHXXBKLTDGMXSV-CQSZACIVSA-N 408.545 3.061 0 40 HGAB Cc1ccccc1OC[C@@H](C)NC(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O 22337354 OJVXRJFCQBHMMS-OAHLLOKOSA-N 424.950 3.307 0 40 HGAB O=C(NCCCN(C(=O)c1ccco1)C1CCCCC1)c1nc2ccccc2c(=O)[nH]1 22472243 BAIWXHSILISKIE-UHFFFAOYSA-N 422.485 3.111 0 40 HGAB Cc1cccc(C)c1NC(=O)CN1CCN(Cc2nc(-c3ccc(F)cc3)no2)CC1 22931217 YDGOEZGJUDHFBZ-UHFFFAOYSA-N 423.492 3.249 0 40 HGAB Cc1cccc(-c2nnc([C@@H](C)N3CCN(CC(=O)Nc4ccccc4)CC3)o2)c1 24249073 FFWLSPITVOYHNG-GOSISDBHSA-N 405.502 3.362 0 40 HGAB CCOC(=O)C1CCN(C(=O)COC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)CC1 24772422 LOAKDYBHLHOPMR-UHFFFAOYSA-N 412.486 3.005 0 40 HGAB CN(Cc1ccccc1OC(F)(F)F)Cc1nnc2n(C)c(=O)c3ccccc3n12 25055649 JIFIMANPFMUVOB-UHFFFAOYSA-N 417.391 3.112 0 40 HGAB COc1ccccc1-c1nc2s/c(=C/c3cccc(Br)c3)c(=O)n2n1 26534116 RBGCHFPCFUZISO-XNTDXEJSSA-N 414.284 3.137 0 40 HGAB OCCN1CCN(c2nc(-c3ccccc3)nc3nc(-c4ccccc4)oc23)CC1 27985966 XVBLRWGOLJSTTB-UHFFFAOYSA-N 401.470 3.066 0 40 HGAB CN(CC(=O)NCc1ccco1)C(=O)C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1 29402854 CLXCAWPSXDSQCQ-JOCHJYFZSA-N 416.481 3.362 0 40 HGAB COc1ccccc1NS(=O)(=O)c1cccc(NC(=O)c2cc(C3CC3)[nH]n2)c1 30604566 YEWAUBBWCKMZTE-UHFFFAOYSA-N 412.471 3.349 0 40 HGAB CCCCc1noc([C@H](C)Sc2nc3cc(S(N)(=O)=O)ccc3n2CC)n1 31738434 OIECQFWHIOIMHV-NSHDSACASA-N 409.537 3.283 0 40 HGAB COc1ccc(CSC2=N[C@H]3CS(=O)(=O)C[C@H]3N2c2ccccc2F)cc1 32639753 KHDIKJODFGVUNK-FUHWJXTLSA-N 406.504 3.109 0 40 HGAB COc1ccccc1[C@H](NC(=O)C[C@H]1Sc2ccccc2NC1=O)c1nccn1C 32905115 LYEYNHSCAQLIST-QUCCMNQESA-N 422.510 3.137 0 40 HGAB CC(=O)Nc1ccc([C@H]2C(C(=O)Nc3ccccc3C)=C(C)Nc3ncnn32)cc1 35507617 KPDQRGMXNOWGJT-FQEVSTJZSA-N 402.458 3.473 0 40 HGAB COc1ccc(CNC(=O)c2nnn(-c3ccc(OC)cc3)c2-c2cccnc2)cc1 38487697 YRQFIRZYGDONJD-UHFFFAOYSA-N 415.453 3.277 0 40 HGAB CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCC(NC(=O)c2ccncc2)CC1 40135061 RFNMUZNEKMAHDY-UHFFFAOYSA-N 401.894 3.313 0 40 HGAB CN1CC(=O)Nc2cc(C(=O)NC[C@@H](c3ccccc3Cl)N3CCCC3)ccc21 40155388 WPWNGQJAVFFRCY-FQEVSTJZSA-N 412.921 3.295 0 40 HGAB Cc1ccc(C(=O)N2CCC(O)(c3ccc(Cl)cc3)CC2)c(-n2cnnn2)c1C 44900548 SJPSXCCTKPTYEF-UHFFFAOYSA-N 411.893 3.056 0 40 HGAB C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)NCc1nncn1-c1ccccc1 48116158 WJLFRFFXLAWKDK-LBPRGKRZSA-N 418.284 3.009 0 40 HGAB Cc1ccc(NC(=O)C2CC2)cc1NS(=O)(=O)c1ccc2c(c1)OCCCO2 55595510 QSYLFGVTMIIDHL-UHFFFAOYSA-N 402.472 3.306 0 40 HGAB COC(=O)c1ccc(Cl)c(S(=O)(=O)N[C@H](C)Cc2ccc(N(C)C)cc2)c1 58141024 DNBDYMLBYGIGDA-CYBMUJFWSA-N 410.923 3.102 0 40 HGAB O=C(COc1ccc(C(=O)c2ccccc2)cc1)Nc1ccc(N2CCOCC2)cn1 58154034 GMZHEOMVRHVVJE-UHFFFAOYSA-N 417.465 3.167 0 40 HGAB COc1ccccc1N1C[C@@H](C(=O)N2CCc3cc(Br)ccc32)CC1=O 60129524 LVGZAFWHIGHAQH-AWEZNQCLSA-N 415.287 3.400 0 40 HGAB Cc1c(C(=O)Nc2ccccc2F)nnn1CC(=O)Nc1ccc(F)c(Cl)c1 67323164 ZUPXDFXQPZHWTH-UHFFFAOYSA-N 405.792 3.409 0 40 HGAB COCCOc1cc(-c2noc([C@@H]3CCCN3Cc3ccc(C(=O)O)cc3)n2)ccn1 67879625 ANCZYDDSDXZFFV-SFHVURJKSA-N 424.457 3.192 0 40 HGAB biogenic,in-vitro Cc1nc(-n2cccc2)sc1C(=O)Nc1cccc(N2CCCCS2(=O)=O)c1 71283257 DJNSEHCJZDZJPJ-UHFFFAOYSA-N 416.528 3.425 0 40 HGAB NNc1c(Cl)cncc1S(=O)(=O)N(Cc1ccccc1)Cc1ccccc1 72210820 URHKWNLNAFCQEO-UHFFFAOYSA-N 402.907 3.412 0 40 HGAB CCCC(=O)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CN(Cc1cccs1)CC2 72399087 MYUWVHRBXRKHCG-SFHVURJKSA-N 400.548 3.243 0 40 HGAB CC(=O)Nc1ccc(S(=O)(=O)N2CC(Oc3nc4c(C)cccc4s3)C2)cc1 77101052 AFGCWCJCTGHDEL-UHFFFAOYSA-N 417.512 3.015 0 40 HGAB CCCC12CN3CC(CCC)(CN(C1)C3c1cc3ccc(OC)cc3[nH]c1=O)C2=O 79191930 HVYDZYWRMKWEGL-UHFFFAOYSA-N 409.530 3.322 0 40 HGAB biogenic Cc1cc(C)cc(-c2nnc(SCC(=O)CN3C(=O)c4ccccc4C3=O)o2)c1 84085995 BHBLTGUIVIIBSI-UHFFFAOYSA-N 407.451 3.311 0 40 HGAB CN(Cc1ccccc1)C[C@H](O)CN1CCN(C(=O)c2cccc3ccccc23)CC1 95408258 QMAJSKZMIOQYGY-QHCPKHFHSA-N 417.553 3.091 0 40 HGAB CCOc1cccc([C@H]2CC(c3ccccc3NS(C)(=O)=O)=NN2C(C)=O)c1 95945870 ZAKLJLQKJHAEMH-HXUWFJFHSA-N 401.488 3.154 0 40 HGAB O=C(Nc1ccc(F)cc1)C1CCC(N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@H]3C2=O)CC1 102080827 JQENEYGIGVQUQS-CQZISGEJSA-N 408.473 3.376 0 40 HGAB CCN1c2cc(OC)c(OC)cc2C(C)=C(C(=O)NC(C(C)C)C(C)C)S1(=O)=O 219194949 DBKSYYTYHQYWKP-UHFFFAOYSA-N 424.563 3.401 0 40 HGAB CNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CSCc1ccc(F)cc1 222815933 JPAYXQFIAWIGSG-OAHLLOKOSA-N 404.507 3.231 0 40 HGAB CC[C@@H](C(=O)N[C@@H](C)c1cc(OC)ccc1OC)N(c1ccccc1)S(C)(=O)=O 223088661 ZFIBUKRQXPTKAM-KXBFYZLASA-N 420.531 3.126 0 40 HGAB COC(=O)c1cc2cc(NS(=O)(=O)c3ccc(NC(C)=O)cc3)ccc2s1 223252357 ANGBYZWFNNANJG-UHFFFAOYSA-N 404.469 3.447 0 40 HGAB COc1ccc2cc(S(=O)(=O)N[C@@H](C)c3ccc(S(C)(=O)=O)cc3)ccc2c1 223893148 PYFCNNMTEWMMFW-AWEZNQCLSA-N 419.524 3.291 0 40 HGAB CCc1ccc(N([C@@H](C)C(=O)NCCOc2cc(C)cc(C)c2)S(C)(=O)=O)cc1 224099895 LQXHCVCKZGLSBG-SFHVURJKSA-N 418.559 3.216 0 40 HGAB Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)NCCc2ccc(F)cc2)CC1 224347135 FJVMCIXDRCTBJX-UHFFFAOYSA-N 418.534 3.035 0 40 HGAB Cc1cc(OCC(=O)NCc2cccc(CN3CCOCC3)c2)cc(C)c1Cl 224732944 ZEHOBYIHQKERKY-UHFFFAOYSA-N 402.922 3.484 0 40 HGAB COC(=O)CN(c1ccc(OC)cc1OC)S(=O)(=O)c1ccc2ccccc2c1 225049381 NZWRAAFCXCADPY-UHFFFAOYSA-N 415.467 3.225 0 40 HGAB CC[C@@H]1CCCCN1CCCNC(=S)Nc1cccc(N(C)S(C)(=O)=O)c1 225582169 VZLBWVKGCRGUDY-QGZVFWFLSA-N 412.625 3.023 0 40 HGAB CC(=O)Nc1cccc(NC(=O)CCCN(c2ccccc2C)S(C)(=O)=O)c1 225743002 CSKDUJJCODSKIL-UHFFFAOYSA-N 403.504 3.138 0 40 HGAB Cc1cc(C)cc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCCC[C@H]4C)nc(O)c32)c1 253578405 YHFAZMJRHXMLJW-GDBMZVCRSA-N 409.490 3.242 0 40 HGAB Cc1cc(Nc2cc(CC3CCN(C(=O)CNc4ccccc4)CC3)ncn2)[nH]n1 257289132 PXCFCBQDYXOMPP-UHFFFAOYSA-N 405.506 3.145 0 40 HGAB CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)cc1 408587458 BYHUGGPMHQQJSW-JTQLQIEISA-N 403.287 3.308 0 40 HGAB CS(=O)(=O)N(CC(=O)NC(c1ccccc1)c1ccccc1)Cc1ccccc1 408614123 YPHDAMGHXMMDAI-UHFFFAOYSA-N 408.523 3.354 0 40 HGAB CCCOc1ccc(N2C[C@H](C(=O)Nc3ccccc3C(=O)NCC)CC2=O)cc1 408614501 CZCGYZALEHWSNO-MRXNPFEDSA-N 409.486 3.217 0 40 HGAB CCc1ccccc1NC(=O)CSc1nnc(CNC(=O)c2cccc(C)c2)n1C 409071924 QKTMYSZOZSBQID-UHFFFAOYSA-N 423.542 3.347 0 40 HGAB O=C(CNC(=O)c1ncccc1O)Nc1ccc(Oc2ccnc3ccccc23)cc1 508374016 DXORRMIMGPYNJL-UHFFFAOYSA-N 414.421 3.496 0 40 HGAB O=C(O)CNC(=O)c1ccc(NC(=O)c2cccc(NC(=O)c3cccs3)c2)cc1 532594850 OCIOKFHHLFCGBZ-UHFFFAOYSA-N 423.450 3.067 0 40 HGAB C[C@H](Oc1ccccc1Br)C(=O)NC1(C(=O)NCC2CC2)CCCC1 1514601252 RNMCBCVJBSJPQU-ZDUSSCGKSA-N 409.324 3.172 0 40 HGAB Cn1cc(C(=O)N2C[C@@H]3CN(c4ccc(-c5ccccc5)nn4)C[C@@H]3C2)c(C(F)F)n1 1888904122 VSAOCHCOYYXRBC-IYBDPMFKSA-N 424.455 3.023 0 40 HGAB Cc1nn(C)cc1CN(C)C(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccco1)N2 675126 ZQWJVORHZYNRME-CZUORRHYSA-N 422.411 3.451 0 40 HGAB COC(=O)c1c(NC(=O)COc2cc(C)cc(C)c2)sc2c1[C@@H](C(=O)OC)CC2 729949 NBLABCGSBQVZSZ-AWEZNQCLSA-N 417.483 3.372 0 40 HGAB COc1ccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)cc1 796818 DYAIRYYTBMGZJE-INIZCTEOSA-N 422.934 3.066 0 40 HGAB COc1ccc(NC(=O)Cn2nnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1Cl 958490 ALDNSRFOTXEUFM-SNVBAGLBSA-N 418.906 3.279 0 40 HGAB COc1ccc([C@@H]2C(C(=O)Nc3cccc([N+](=O)[O-])c3)=C(C)Nc3ncnn32)cc1 1467360 RYIUKKIRDBEKOQ-GOSISDBHSA-N 406.402 3.123 0 40 HGAB COC(=O)c1ccc(NC(=S)NC(=O)/C=C/c2ccc(OC)c(OC)c2)cc1 1499380 CPWVUOJWCDEPNR-VZUCSPMQSA-N 400.456 3.017 0 40 HGAB biogenic O=C(COC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)Nc1cccc2ccccc12 1985865 GSSICONDZPMZKB-IBGZPJMESA-N 402.450 3.370 0 40 HGAB Cc1nc2cc(C(=O)OCC(=O)NC(=O)NC(C)(C)C)ccc2n1-c1ccccc1 2653551 PNVSVYQOPIYQNS-UHFFFAOYSA-N 408.458 3.115 0 40 HGAB O=C(NCc1cccs1)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1 2658428 YZXVOEUKSLJCPJ-UHFFFAOYSA-N 412.536 3.425 0 40 HGAB CCn1c(SCC(=O)NCc2ccco2)nc2sc3c(c2c1=O)CCCC3 3507474 CWBSDPBYQJAZLZ-UHFFFAOYSA-N 403.529 3.358 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccccn3)cs2)cc1 4059114 JFRQJMRMUBAEMN-UHFFFAOYSA-N 416.528 3.488 0 40 HGAB C[C@@H]1CN(c2ccc(Oc3ccccc3)cc2)c2nc3c(c(=O)n(C)c(=O)n3C)n2C1 4249294 QECMCCKGQXXHBQ-OAHLLOKOSA-N 417.469 3.014 0 40 HGAB CCOc1ccc(NC(=O)C[C@H]2SC(=O)N(CC(=O)c3ccccc3)C2=O)cc1 4383887 WMDOPDBPDCICKO-GOSISDBHSA-N 412.467 3.361 0 40 HGAB CC(C)(C)NC(=O)Cn1c(SCC(=O)Nc2nccs2)nc2ccccc21 4859094 YSMGNTXXGCRAHB-UHFFFAOYSA-N 403.533 3.138 0 40 HGAB COc1ccc(Cc2nnc(SCC(=O)Nc3cccc(Cl)c3C)n2N)cc1 5257288 LLBALAYQYROGKF-UHFFFAOYSA-N 417.922 3.284 0 40 HGAB CC1CCN(C(=O)CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccccc2)CC1 5855223 ICAAMQBECILVTA-UHFFFAOYSA-N 404.507 3.275 0 40 HGAB Cc1ccc(S(=O)(=O)N(CC(=O)NCCCOC(C)C)c2ccccc2F)cc1 6477447 YMEQWQXWDDSCDN-UHFFFAOYSA-N 422.522 3.261 0 40 HGAB COc1cccc([C@H]2C(C(=O)Nc3ccc(C)cc3C)=C(C)Nc3nnnn32)c1OC 6817639 ZXCXPXGJFKRAFY-IBGZPJMESA-N 420.473 3.235 0 40 HGAB O=C(CCc1nc2ccccc2n(CCc2ccccc2)c1=O)NCc1ccco1 7782409 IXNJAFCROTVLFU-UHFFFAOYSA-N 401.466 3.481 0 40 HGAB Cc1cc(OC(=O)[C@@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)ccc1N1C(=O)CCC1=O 7928551 IBZVIWGEAJGAEQ-FUHWJXTLSA-N 420.465 3.164 0 40 HGAB C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)Oc3ccc4c(c3)CCC4)c2)C[C@H](C)O1 8327586 RREBHAGBHMDDLX-HOTGVXAUSA-N 415.511 3.192 0 40 HGAB CCCNc1nc(SCC)nc2c1cnn2CCNC(=O)c1ccc(F)cc1F 8948265 JLKAISXQPYPLFW-UHFFFAOYSA-N 420.489 3.468 0 40 HGAB CC/C(Nc1cc(OC)ccc1OC)=C1/C(=O)NC(=O)N(Cc2ccccc2)C1=O 9090091 UICFKDPTOAQEAY-KNTRCKAVSA-N 409.442 3.058 0 40 HGAB CSC[C@@H](C(=O)Nc1cc(Cl)ccc1C(=O)O)N1C(=O)c2ccccc2C1=O 9495171 LYICBFPMRXKLIL-HNNXBMFYSA-N 418.858 3.005 0 40 HGAB CCOc1ccc(S(=O)(=O)NCCOc2ccc(-c3ccc(F)cc3)nn2)cc1 9852872 VWYPPWYACLTLET-UHFFFAOYSA-N 417.462 3.039 0 40 HGAB C#CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)cc1OC 10130862 VSKYUILQFDBYGM-QGOAFFKASA-N 420.490 3.101 0 40 HGAB Cc1ccc(-c2csc(=O)n2CC(=O)NCCc2ccc(-n3cccn3)cc2)cc1 10222929 HBJAQSVRIHCIEB-UHFFFAOYSA-N 418.522 3.430 0 40 HGAB COc1ccc(-n2ncc3c2CC(C)(C)C[C@@H]3NC(=O)CCn2nc(C)nc2C)cc1 12145613 RLRWZYNSIJNKIK-FQEVSTJZSA-N 422.533 3.309 0 40 HGAB CCn1nc(C)c(CCC(=O)N2CCC[C@H](n3nc(-c4ccco4)ccc3=O)C2)c1C 12158262 VSIPBGRNEJSFTL-SFHVURJKSA-N 423.517 3.133 0 40 HGAB COc1cc(NC(=O)c2cc(=O)c(OCc3ccccc3)cn2C)cc(OC)c1OC 12165812 VETHLHRDQAEJIF-UHFFFAOYSA-N 424.453 3.242 0 40 HGAB COc1ccc(-c2noc([C@H]3CC(=O)N(c4ccc5c(c4)OCO5)C3)n2)c(OC)c1 12416025 FAEAVVUFCBXKQE-LBPRGKRZSA-N 409.398 3.003 0 40 HGAB O=C(OCCCc1ccncc1)c1cccc(S(=O)(=O)N2CCCCCC2)c1 12549643 HPKIIOSYJKQINX-UHFFFAOYSA-N 402.516 3.436 0 40 HGAB O=C(NCc1ccccc1)C1CCN(Cn2c(=S)ncn2-c2ccccc2)CC1 12942916 NQVLZIIKGGQJBN-UHFFFAOYSA-N 407.543 3.389 0 40 HGAB O=C1NC2(CCN(C(=O)c3cccs3)CC2)Nc2ccc(Br)cc21 13566781 YUDLUIRCDKWOIA-UHFFFAOYSA-N 406.305 3.298 0 40 HGAB Cn1c(CNC(=O)c2ccc(Cl)nc2)nc2cc(NC(=O)c3cccnc3)ccc21 13736624 HGHCMPKYVWYEOC-UHFFFAOYSA-N 420.860 3.199 0 40 HGAB CC(C)(C)n1ccc(CN2CCC([C@H]3Nc4ccccc4S(=O)(=O)N3)CC2)c1 14001566 ZJNIBPVYAXILPN-FQEVSTJZSA-N 402.564 3.185 0 40 HGAB Cc1c(C(=O)N2CCN(CC(=O)Nc3cccc(F)c3)CC2)oc2ccc(F)cc12 14166449 ZMJUBZPMFFUQMY-UHFFFAOYSA-N 413.424 3.416 0 40 HGAB C/C=C/c1ccc(OC[C@H](O)CN2C(=O)N[C@](C)(CCC(C)C)C2=O)c(OC)c1 14249032 TUGCWVHUJPGTSM-ZVLBRCSDSA-N 404.507 3.215 0 40 HGAB C[C@H]1C[C@H]1C(=O)N(CCC1=CCCCC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 14697663 YQDBXARTZOVDJF-QFBILLFUSA-N 422.529 3.047 0 40 HGAB CN(C)S(=O)(=O)c1cccc(NC(=O)c2cnn(Cc3ccccc3Cl)c2)c1 16469575 CCZKWIODPVPHNM-UHFFFAOYSA-N 418.906 3.087 0 40 HGAB CCOc1ccc(-c2nonc2NC(=O)[C@@H]2COc3ccccc3O2)cc1OCC 16753295 GCBYUAPZMPRRGW-SFHVURJKSA-N 411.414 3.313 0 40 HGAB CC1CCN(C(=O)CCc2csc(NS(=O)(=O)c3ccc(F)cc3)n2)CC1 16848459 RVGBLYPITTXNDB-UHFFFAOYSA-N 411.524 3.274 0 40 HGAB COc1ccccc1CC(=O)N[C@@H](Cc1cc(O)n2nc(C)cc2n1)c1ccccc1 19129986 IITNIPKEMFLVNZ-FQEVSTJZSA-N 416.481 3.395 0 40 HGAB Cc1cnn(CCC(=O)N2CCC[C@@H]2c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C)N3)c1 19239993 VHCRXXMCSBXMFC-FVQBIDKESA-N 410.444 3.449 0 40 HGAB CCCC(=O)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CN(C(=O)CC1CCCC1)CC2 19501421 LACAVHKIRVPJMT-IBGZPJMESA-N 414.550 3.089 0 40 HGAB CCN1CCN(C(=O)[C@@H]2CCCO2)C[C@H](Cc2cccc(-c3ccccc3)c2)C1=O 19527482 XXOBSAULWGKMNY-GOTSBHOMSA-N 406.526 3.382 0 40 HGAB Cc1noc(-c2cnc(N(C)C)nc2[C@@H]2CCCN2C(=O)Cc2cccnc2)c1C 19558474 CVIPPESTUJBODB-SFHVURJKSA-N 406.490 3.116 0 40 HGAB CCS(=O)(=O)N1CCC[C@@H](c2nc(N(C)C)ncc2-c2cccc(Cl)c2)C1 19694525 FMQMZVWBBVSRDX-OAHLLOKOSA-N 408.955 3.392 0 40 HGAB Cc1nc(CN(C)C(=O)Cc2c[nH]c3ccccc23)nc2c1CCC(=O)N2CC1CC1 19698056 JDAOQIAPAPRJPL-UHFFFAOYSA-N 417.513 3.157 0 40 HGAB COc1cccc(CNC(=O)c2cnc([C@H]3CCN(C(=O)CC(C)C)C3)nc2C)c1 19757880 KJLKDNMBIHSUJM-SFHVURJKSA-N 410.518 3.086 0 40 HGAB COC(=O)[C@](NC(=O)c1ccc(OC)cc1)(Nc1ccc(Cl)cn1)C(F)(F)F 19831610 JRMJYFYNGRLWNX-MRXNPFEDSA-N 417.771 3.017 0 40 HGAB Nc1nc(CN2CCN(Cc3ccccc3)CC2)nc(Nc2cccc(Cl)c2)n1 20414455 QIAJCAFUDSLJNN-UHFFFAOYSA-N 409.925 3.169 0 40 HGAB Cc1ccc(-c2cc(C(=O)N(Cc3ccco3)[C@H]3CCS(=O)(=O)C3)no2)cc1F 20898237 AMROCENUECHKEJ-HNNXBMFYSA-N 418.446 3.212 0 40 HGAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1cc(Br)ccc1F 21336278 XFHGMTBGUQHFFH-UHFFFAOYSA-N 415.284 3.399 0 40 HGAB COc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2C(=O)NCCC2=CCCCC2)c1 22229610 NQEXSIGLTSOHCL-LJQANCHMSA-N 406.548 3.163 0 40 HGAB COc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2ccc(F)c(F)c2)c1 22230347 COOKQGFTVDPLQM-QGZVFWFLSA-N 410.442 3.074 0 40 HGAB Cc1ccc(C)c(N(CC(=O)NCCCc2ccc(Cl)cc2)S(C)(=O)=O)c1 22328663 HVMZLJGRWGWYHL-UHFFFAOYSA-N 408.951 3.472 0 40 HGAB CCNS(=O)(=O)c1cc(C(=O)N[C@H](C)c2cc(C)c(C)cc2C)ccc1OC 22537860 OUSNJFACOGDXMR-MRXNPFEDSA-N 404.532 3.410 0 40 HGAB O=C(NC[C@@H](c1ccco1)N1CCc2ccccc2C1)C(=O)Nc1cccc(F)c1 22907449 ZPZYPBHELKQETI-FQEVSTJZSA-N 407.445 3.273 0 40 HGAB COc1ccc(CN2CCN(Cc3nc4cc(Cl)ccc4c(=O)[nH]3)CC2)cc1F 22916391 UISWINJVBLKRHK-UHFFFAOYSA-N 416.884 3.042 0 40 HGAB NC(=O)COc1ccc(NC(=O)c2nn(-c3ccc(F)cc3)c3c2CCCC3)cc1 23056492 XTYDCXCLAYBIOB-UHFFFAOYSA-N 408.433 3.007 0 40 HGAB COc1cccc(C(=O)N2CCC(c3nc(-c4ccc5c(c4)OCO5)no3)CC2)c1 23320976 VRLBQPWQLZBLBR-UHFFFAOYSA-N 407.426 3.494 0 40 HGAB Cc1ccc(C(=O)COC(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)cc1 24416537 KDESJMLJBXLCSW-UHFFFAOYSA-N 403.390 3.424 0 40 HGAB Cc1cccc(CS(=O)(=O)N2CCC(C(=O)NCc3ccccc3C)CC2)c1 24611844 JZESIVQPUWNGDC-UHFFFAOYSA-N 400.544 3.162 0 40 HGAB CC(=O)c1cccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccccc3F)CC2)c1 24613042 TURUUBPZNVZNKB-UHFFFAOYSA-N 418.490 3.209 0 40 HGAB COc1ccc(Nn2c(N)nn(CC(=O)c3cc(Cl)ccc3OC)c2=S)cc1 28535183 OTMBWUOVKWIDHW-UHFFFAOYSA-N 419.894 3.425 0 40 HGAB O=C1Cc2cc(S(=O)(=O)Nc3cc(C(F)(F)F)ccc3-n3cccn3)ccc2N1 28810625 VNBCBSGBNTWKEX-UHFFFAOYSA-N 422.388 3.187 0 40 HGAB Cc1ccc(CSCCNS(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1 30496912 MQTRVDQKISRACE-UHFFFAOYSA-N 404.557 3.334 0 40 HGAB COc1ccc(CN(C(=O)N2CCc3ccccc32)S(=O)(=O)c2cccnc2)cc1 32642664 BBLPQFJHOHFGBU-UHFFFAOYSA-N 423.494 3.464 0 40 HGAB Cc1nc(NC(=O)[C@@H]2Cc3ccccc3C(=O)O2)sc1Cc1ccc2c(c1)OCO2 32674878 SXMTVEORXLZYBS-SFHVURJKSA-N 422.462 3.491 0 40 HGAB O=C(c1ccc(F)cc1)c1ccccc1C(=O)N1CCN(C(=O)N2CCCCC2)CC1 32753487 JVAGJOFIWMNYPJ-UHFFFAOYSA-N 423.488 3.420 0 40 HGAB Cc1ccccc1NC(=O)CN1C(=O)N[C@](C)(c2cccc(C(F)(F)F)c2)C1=O 40116873 TYUQLDKBDIVXJR-LJQANCHMSA-N 405.376 3.420 0 40 HGAB CC(C)N1C(=O)c2ccc(C(=O)N(C)[C@H](C)c3ccc(F)cc3)cc2S1(=O)=O 40153176 VJUWZFHDVRSMMZ-CYBMUJFWSA-N 404.463 3.212 0 40 HGAB Cc1ccc(Cn2c(=O)c3ccccc3n(CC(=O)Nc3cccc(C)c3)c2=O)cc1 40478454 KLHFDABDCOFILC-UHFFFAOYSA-N 413.477 3.467 0 40 HGAB O=C(Cc1ccc(-n2cccn2)cc1)Nc1ccc(NC(=O)NC[C@H]2CCCO2)cc1 48326496 JOCTUGCJXIXOAJ-OAQYLSRUSA-N 419.485 3.354 0 40 HGAB Cc1cc(Br)c2c(c1)[C@H](O)C(CN1CCCC1)(CN1CCCC1)CO2 55120895 PDXQJJMYQWQJPI-IBGZPJMESA-N 409.368 3.361 0 40 HGAB C[C@H](NC(=O)N[C@H](C)c1cccc(NS(C)(=O)=O)c1)c1nc2ccccc2[nH]1 56925912 SZHYJUGPYPAWKF-OLZOCXBDSA-N 401.492 3.056 0 40 HGAB CCCN1CCc2nc(SCC(=O)Nc3cccc(SC)c3)nc(O)c2C1 67291794 NIVILRKPWTYQNA-UHFFFAOYSA-N 404.561 3.403 0 40 HGAB CCc1ccc(NC(=O)Cn2c(-c3cccc(F)c3)nc(C)c(CCO)c2=O)cc1 67316669 QKDZITZNNBGDMM-UHFFFAOYSA-N 409.461 3.094 0 40 HGAB COc1ccc(CNC(=O)[C@@H](C)N2CCC(O)(c3ccccc3C)CC2)cc1OC 72304938 DTMRVQRHGUQWPO-GOSISDBHSA-N 412.530 3.001 0 40 HGAB CC(C)(C)c1cc(C(=O)N2CCC3(CC2)C[C@@](O)(c2ccc(F)cc2)CO3)[nH]n1 72335510 MFITUFWOKSMTFW-QFIPXVFZSA-N 401.482 3.129 0 40 HGAB CC[C@@H](C)NC(=O)CCc1c(C)nc2cc([C@H]3CCCN3C(=O)C3CC3)nn2c1C 72351311 HPAPVIVIOOEZMP-JLTOFOAXSA-N 411.550 3.267 0 40 HGAB CSCc1noc(CCC(=O)OCC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)n1 89905088 PWNBDFSXRFOIJZ-AWEZNQCLSA-N 417.531 3.165 0 40 HGAB NC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(c2ccnc(-c3ccccc3)n2)CC1 95350236 ZSYJYDADDZHANL-FQEVSTJZSA-N 407.905 3.146 0 40 HGAB COC(=O)[C@@H](C)Sc1ccccc1C(=O)NC1CCN(C(=O)NC(C)(C)C)CC1 95456490 FZRFVBYUUBOBMZ-CQSZACIVSA-N 421.563 3.043 0 40 HGAB COC(=O)[C@H]1CCCC[C@@H]1S(=O)(=O)N1CCC(c2c[nH]c3ccccc23)CC1 96012596 OSUWUTQEXDBAFW-PXNSSMCTSA-N 404.532 3.409 0 40 HGAB O=c1cc(C2CCCC2)ncn1CCNS(=O)(=O)c1cccc(Cl)c1Cl 96119185 WROICWGJDVXYCV-UHFFFAOYSA-N 416.330 3.186 0 40 HGAB Cc1cc(S(=O)(=O)N2CCC(Oc3cccnn3)CC2)c(Cl)cc1Cl 96119375 VSESXGMHTLMHEE-UHFFFAOYSA-N 402.303 3.324 0 40 HGAB CCc1cccc(NC(=O)N2CCC[C@]3(CC(C(=O)Nc4cccnc4)=NO3)C2)c1 96225022 RAPPUGYOYFJORK-QFIPXVFZSA-N 407.474 3.426 0 40 HGAB O=C(COc1ccccc1F)NC[C@H]1CC[C@H](c2nnc(-c3cnccn3)o2)CC1 100156107 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C[C@@H](CCC(=O)O)[C@@H]1CC[C@@H]2[C@H]3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@@H]3C[C@@H](O)[C@]12C 253609805 NKRVAQNWPRPQDK-CNXROLJQSA-N 406.563 3.369 0 40 HGAB O=C1CCCN1CC(=O)N1CCC[C@H](c2ncc(Cc3cccc(Cl)c3)o2)C1 257227256 FOISPDRDKUVSNC-INIZCTEOSA-N 401.894 3.247 0 40 HGAB Cc1nc(NC(=O)CN2CCO[C@@H](c3ccc(Nc4ccccn4)cn3)C2)sc1C 257326835 WYUGWPAQJMNHCU-GOSISDBHSA-N 424.530 3.306 0 40 HGAB O=C(c1ccc(CN2CCCC2)cc1)N1CCC[C@H]1c1cncc(-n2ccnc2)n1 257334717 YHBWGMNYKHRQKS-NRFANRHFSA-N 402.502 3.235 0 40 HGAB C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3C[C@H](O)[C@@]21C 257345209 BHQCQFFYRZLCQQ-JFRIZZNQSA-N 408.579 3.449 0 40 HGAB CCCCc1nnc(S[C@@H](C)C(=O)NCCc2ccc(OC)c(OC)c2)n1C 408560389 HIQGYHXQACNEMC-AWEZNQCLSA-N 406.552 3.014 0 40 HGAB COc1cccc(NC(=O)C(=O)Nn2c(CCC(=O)O)ccc2-c2ccc(C)cc2)c1 408562696 RLCVUPNOHHLECG-UHFFFAOYSA-N 421.453 3.198 0 40 HGAB C[C@@H]1C=CC[C@@H]2C(=O)N(c3ccc(C(=O)OCC(=O)Nc4ccccc4)cc3)C(=O)[C@H]21 408656551 FJTNDEXFEYLNCB-JJXUHFIVSA-N 418.449 3.184 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1ccc(F)c(F)c1 408701451 YEFDENDHEQLQMK-UHFFFAOYSA-N 410.442 3.400 0 40 HGAB C[C@@H](NC(=O)c1ccccc1)c1nnc(SCC(=O)Nc2ccc(F)cc2)n1C 409131835 PAKLYXFOEWWUSM-CYBMUJFWSA-N 413.478 3.176 0 40 HGAB O=C(c1cnc(OCc2ccccc2)cn1)N1C[C@H](O)C[C@H]1c1ccc(F)c(F)c1 557212411 XGRMUHRWMOJXDJ-UZLBHIALSA-N 411.408 3.282 0 40 HGAB CCOC(=O)c1c(N[C@H]2OC(=O)c3ccccc32)sc(C(=O)OCCOC)c1C 4384838 TZJNOESWUADRMT-INIZCTEOSA-N 419.455 3.318 0 40 HGAB COc1ccccc1CNC(=O)c1ccc2c(=O)n(-c3ccccc3OC)cnc2c1 32074110 JQYBUEMOZPDYFO-UHFFFAOYSA-N 415.449 3.333 0 40 HGAB CCc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)sc1C 8379713 PLIWYASCZCYSON-UHFFFAOYSA-N 412.964 3.419 0 40 HGAB Cc1cc(C)n(-c2ccc(C(=O)OCC(=O)NC(=O)Nc3ccccc3F)cc2)n1 8711224 FPPXQWWKCWGMFP-UHFFFAOYSA-N 410.405 3.133 0 40 HGAB CCCCNC(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1 10692695 XUYANBQADFZIFM-UHFFFAOYSA-N 407.363 3.452 0 40 HGAB Cc1ccccc1C(=O)N1CCC(C(=O)OCCCn2c(=O)[nH]c3ccccc32)CC1 11245560 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CS(=O)(=O)c1ccc2nc(NS(=O)(=O)c3ccc(Cl)cc3)sc2c1 892671 YFGGPIBSLISMSO-UHFFFAOYSA-N 402.906 3.154 0 40 HGAB COC(=O)c1ccc(CS(=O)(=O)Nc2sc3c(c2C(=O)OC)CCCC3)cc1 20460265 QCGKVNOYYHLAGQ-UHFFFAOYSA-N 423.512 3.142 0 40 HGAB Cc1ccc(C)c(N(CC(=O)NCc2ccncc2)S(=O)(=O)c2ccccc2)c1 832090 YXFKTFTWBHGXLJ-UHFFFAOYSA-N 409.511 3.210 0 40 HGAB C[C@@H]1[C@@H](NC(=O)COC(=O)c2cnn(-c3ccccn3)c2C(F)(F)F)CCC[C@H]1C 104877526 UKDPJAXYOUAWPR-IPYPFGDCSA-N 424.423 3.384 0 40 HGAB CCc1ccc(Nc2nn(CN(CC)[C@@H]3CCS(=O)(=O)C3)c(=S)s2)cc1 24178813 SSKXXKRFHKIGMD-OAHLLOKOSA-N 412.606 3.447 0 40 HGAB O=C(CN1CCN(C(=O)CCn2ccc3ccccc32)CC1)Nc1ccccc1Cl 15091249 QKYLAQXIHIOGKB-UHFFFAOYSA-N 424.932 3.468 0 40 HGAB CCCOc1ccc(C(=O)Nc2cc(S(=O)(=O)NC(C)C)ccc2OC)cc1 20452176 MMOJAAWWYJHUAP-UHFFFAOYSA-N 406.504 3.423 0 40 HGAB COC(=O)C[C@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@@H](O)[C@@]21C)[C@@]1(C)CC[C@H](O)C[C@@H]1C[C@H]3O 118932383 KLXPQIAGNBJJFR-HMDNFEGGSA-N 408.579 3.147 0 40 HGAB Cc1cc(Br)ccc1NC(=O)Cn1c(NCCO)nc2ccccc21 12548124 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CCOc1ccc(N2C[C@@H](C(=O)OCc3nc4ccccc4nc3C)CC2=O)cc1 12801978 LPTQLXAYIFSJKP-INIZCTEOSA-N 405.454 3.433 0 40 HGAB COc1ccccc1CNC(=O)NCC(=O)Nc1ccc(Br)cc1C 12860938 CZBKHEFKUYBPTB-UHFFFAOYSA-N 406.280 3.204 0 40 HGAB COc1ccc(CNC(=O)CN2C(=O)S/C(=C\c3ccc(C)s3)C2=O)cc1 409203890 ZQMDGLMCHCOXGB-SXGWCWSVSA-N 402.497 3.418 0 40 HGAB Cc1c(Cl)cccc1NC(=O)CNC(=O)[C@H]1CC(=O)N([C@@H](C)c2ccccc2)C1 12919673 MLDUSTUFMLXWPM-RDJZCZTQSA-N 413.905 3.313 0 40 HGAB CC(C)(C)CC(=O)N(Cc1ccccc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 12977747 CUXSDLCQHBPMGH-UHFFFAOYSA-N 420.513 3.137 0 40 HGAB CCOc1ccccc1NC(=O)COc1ccc(S(=O)(=O)N(CC)CC)cc1 408626186 USQQBHMUOCPWIP-UHFFFAOYSA-N 406.504 3.133 0 40 HGAB CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NC2CCCC2)cc1 22271168 NQPCIJXVAJFCHI-OAQYLSRUSA-N 416.543 3.034 0 40 HGAB CN(CC(=O)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCCc2ccccc21 16342859 FFYAHKFABLLOFU-IFMALSPDSA-N 412.555 3.216 0 40 HGAB CC[C@@]1(C)NC(=O)N(CC(=O)N2N=C(c3cccs3)C[C@@H]2c2cccs2)C1=O 14067861 VAJROAJVRFRKNB-BFUOFWGJSA-N 416.528 3.208 0 40 HGAB CCOC(=O)c1ccc(N2CCN(C(C)=O)CC2)c(NC(=O)c2ccc(C)cc2)c1 4712212 JHJLANNYDQGSKS-UHFFFAOYSA-N 409.486 3.093 0 40 HGAB C[C@@H]1CCc2c(sc3nc(SCC(=O)N4C[C@@H](C)O[C@H](C)C4)nc(N)c23)C1 5658818 WPLATDHKNTZVAH-IJLUTSLNSA-N 406.577 3.126 0 40 HGAB COc1cccc(NC(=O)Cn2nnc(C(=O)Nc3ccc(C)cc3Cl)c2C)c1 71327357 SWFHZOSYLNSESJ-UHFFFAOYSA-N 413.865 3.448 0 40 HGAB COCCOc1ccc(NC(=O)N(CC(C)C)C[C@H](O)c2ccc(F)cc2)cn1 72289085 FONAVWAJMJKYEU-IBGZPJMESA-N 405.470 3.469 0 40 HGAB C[C@@H](NC(=O)CN1CCN(C(=O)c2ccc(O)cc2)CC1)c1cccc2ccccc12 72311921 FOFOHLUNOQLBEY-GOSISDBHSA-N 417.509 3.181 0 40 HGAB CCOC(=O)C[C@H](Nc1ncnc2c1c(Br)nn2C)c1ccccc1 72313845 GMTLREREKINFGG-LBPRGKRZSA-N 404.268 3.232 0 40 HGAB COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC[C@@H](C(=O)NC2CCCC2)C1 408700510 HCORCTJHIBYBAX-QGZVFWFLSA-N 408.564 3.278 0 40 HGAB CCCCNS(=O)(=O)c1ccc(OCC(=O)N[C@@H](C)c2ccc(F)cc2)cc1 22537024 BEQAHKBUMUOYME-HNNXBMFYSA-N 408.495 3.160 0 40 HGAB O=C(N[C@@H]1CC[C@H](c2ccc(F)cc2)C1)C(=O)N1CCC(Cc2cccnc2)CC1 510396820 MNVRRMVRGWQYPE-RBBKRZOGSA-N 409.505 3.454 0 40 HGAB COc1ccccc1CN(C)C(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O 30856702 ATNGNFVSUXESNG-UHFFFAOYSA-N 408.495 3.039 0 40 HGAB CC[C@H](Oc1ccccc1Cl)C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21 30756940 PFZDLIXYSZCNGI-SFHVURJKSA-N 422.934 3.337 0 40 HGAB Cc1nc2ccc(C(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)cc2nc1C 32740578 JOCPAECVEPCCFO-UHFFFAOYSA-N 410.499 3.283 0 40 HGAB N[C@@H](C(=O)NCC1CCC(c2ccnc(Nc3cncnc3)n2)CC1)c1ccccc1 72379937 DDQOCAOLNDFPTE-MYKUNDNFSA-N 417.517 3.100 0 40 HGAB CCN(CC)S(=O)(=O)N1CCC[C@@H](c2cccc(Nc3ncccc3C)n2)C1 72376012 LNWGQTHUHBHRLB-QGZVFWFLSA-N 403.552 3.295 0 40 HGAB O=C(NCC1=CCCCC1)C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1 224359626 GVFKBOIBGSKENE-UHFFFAOYSA-N 410.967 3.498 0 40 HGAB COc1cc(N2CCc3ccccc3C2)nc(NC(=S)NCc2ccc(C)o2)n1 225914257 FWFAVMMNWHMBFO-UHFFFAOYSA-N 409.515 3.436 0 40 HGAB CCOc1ccc([C@H](C)NC(=O)CN(c2cc(C)ccc2C)S(C)(=O)=O)cc1 44846513 HVEZZZVFNUDGNF-KRWDZBQOSA-N 404.532 3.346 0 40 HGAB CCOc1ccccc1N(CC(=O)NCc1cc(CC)ccc1CC)S(C)(=O)=O 223452948 UEKXTCPXNYUORM-UHFFFAOYSA-N 418.559 3.293 0 40 HGAB COC(=O)CN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1ccc(OC)c(C)c1 224648148 KXHFRLXCWDABQS-UHFFFAOYSA-N 413.879 3.034 0 40 HGAB CCSc1nnc(NC(=O)CN(c2ccccc2C(C)C)S(C)(=O)=O)s1 223716953 LHQAEPHYKWKGJM-UHFFFAOYSA-N 414.578 3.178 0 40 HGAB CCn1c(=O)n(CC(=O)N[C@H](C)Cc2ccc(Br)cc2)c2ccccc21 48290824 JKCZMBOYCBPDKU-CQSZACIVSA-N 416.319 3.333 0 40 HGAB Cc1cc(S(=O)(=O)NC(C)C)ccc1OCC(=O)Nc1ccc2sncc2c1 222769429 OMMUNGIEUZZKDQ-UHFFFAOYSA-N 419.528 3.309 0 40 HGAB COc1ccc(Cl)cc1CN1CCN(C(=O)c2cc(F)cc3nccnc23)CC1 195694365 CWHIQEBXKRRMJB-UHFFFAOYSA-N 414.868 3.389 0 40 HGAB CC(C)CNC(=O)C[C@H]1CC2(CCN(C(=O)c3ccnnc3)CC2)Oc2ccccc21 96053537 RHSUEZHLNKEDSY-IBGZPJMESA-N 422.529 3.180 0 40 HGAB COCCC(=O)N[C@]1(C)C[C@H](c2ccc(S(C)(=O)=O)cc2)O[C@@H]2C[C@H](C)CC[C@H]21 257268688 MMTDNPCITOBEEW-YCSCGVHMSA-N 423.575 3.268 0 40 HGAB CCNC(=O)C1(Cc2cccc(-c3cccnc3)c2)CCN(C(=O)[C@H]2CCCO2)CC1 257258417 KTTSSZSVZMJJEY-JOCHJYFZSA-N 421.541 3.215 0 40 HGAB Cn1cc2c(n1)[C@@H](C(=O)NCCc1ccc(F)cc1)CN(CCc1ccccc1)C2 257206585 BECOIEVKJZUBDI-QFIPXVFZSA-N 406.505 3.060 0 40 HGAB Cc1nc(CN2CCCN([C@@H](C)C(=O)N3CCSc4ccccc43)CC2)oc1C 592194861 DJJPAPFPPZPVTI-KRWDZBQOSA-N 414.575 3.327 0 40 HGAB COc1ccccc1NC(=O)C1CCN(c2ccc(-n3nc(C)cc3C)nn2)CC1 62163418 DEHQSHUWPLWMNJ-UHFFFAOYSA-N 406.490 3.143 0 40 HGAB Cc1cc2nc(C3CCN(C(=O)CCCn4ccnc4)CC3)cc(C(F)(F)F)n2n1 72340862 XWBJTOWJHUCDPR-UHFFFAOYSA-N 420.439 3.439 0 40 HGAB COCCN1CCN(c2ccc(NCc3cc4cc(C)ccc4[nH]c3=O)cc2)CC1 72396177 NETFSLVKEMXMCM-UHFFFAOYSA-N 406.530 3.217 0 40 HGAB COc1ccc2cc(CN(Cc3ccc4c(c3)OCO4)C[C@@H](C)O)c(OC)nc2c1 12118139 RDZUUGJBBKXUHR-OAHLLOKOSA-N 410.470 3.364 0 40 HGAB CO[C@H]1CCC[C@@H](C(=O)N2CCC(Cn3nc(-c4cccs4)ccc3=O)CC2)C1 12158131 KPWYNTDGWBMREA-MSOLQXFVSA-N 415.559 3.416 0 40 HGAB COc1ccc(S(=O)(=O)CC(=O)N[C@@H](Cc2ccsc2)c2nccs2)cc1 12227041 JJQNCAYQFZVCMK-INIZCTEOSA-N 422.553 3.087 0 40 HGAB C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)Cc1ccc(F)cc1Br 12982449 IPFYCXRYXOMYAP-LLVKDONJSA-N 401.301 3.429 0 40 HGAB NC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCN(C(=O)COc2ccccc2)C1 19373393 RSJVPICLHOGJKB-VWLOTQADSA-N 415.493 3.074 0 40 HGAB COc1cccc(CN2CC=CC[C@@H](C3CCN(Cc4ccnn4C)CC3)C2=O)c1 19698537 KYZMNXLBBABEGK-QHCPKHFHSA-N 408.546 3.246 0 40 HGAB CCn1cc(CN2CCC(Cc3nn(C)cc3C(=O)Nc3ccc(F)cc3)CC2)cn1 19758550 FJUGCVFHXNFTDS-UHFFFAOYSA-N 424.524 3.483 0 40 HGAB COc1ccccc1-n1c(=O)[nH]c2sc3c(c2c1=O)CCN(Cc1ccccc1)C3 19819689 IITWUGRXPBABIU-UHFFFAOYSA-N 419.506 3.307 0 40 HGAB O=c1/c(=C\c2cccc(O)c2)sc2n1[C@H](c1ccccc1)C(c1ccccc1)=NN=2 5092603 ZSFGMKJRLRUHMR-GFCAVMEOSA-N 411.486 3.071 0 40 HGAB C[C@@]1(C2CCN(Cc3ccc(C(=O)O)cc3)CC2)CN(c2ccccc2)C(=O)CO1 618016872 HLEAIQFSJVWHNO-DEOSSOPVSA-N 408.498 3.419 0 40 HGAB FC(F)(F)c1ccc(N2CCN(C3CCN(CC4CCOCC4)CC3)CC2)nc1 252492184 MFIJKGMQJKYYAA-UHFFFAOYSA-N 412.500 3.113 0 40 HGAB CN1C(=O)C[C@H](C(=O)O[C@H](CSc2nc[nH]n2)c2ccccc2)c2ccccc21 1122714627 MQLCVZNVYKGRDF-FUHWJXTLSA-N 408.483 3.332 0 40 HGAB Cc1nc(N2C[C@@H]3CN(c4ccc(C(F)(F)F)cn4)C[C@@H]3C2)c2ccncc2n1 1888897388 YWSKPEXHROISSS-OKILXGFUSA-N 400.408 3.320 0 40 HGAB Cc1nc(-c2ccc(S(=O)(=O)NC[C@]3(O)CCCc4sccc43)cc2)co1 1889226169 SOWYEYAKTWBDIY-LJQANCHMSA-N 404.513 3.214 0 40 HGAB COC(=O)c1cc(NC(=O)c2cc(Br)ccc2F)cc(C(=O)OC)c1 15012856 IYPLVGSMAQNPFH-UHFFFAOYSA-N 410.195 3.414 0 40 HGAB C[C@H]1C[C@@H]2[C@@H](CC(=O)N2Cc2ccccc2)[C@@H]1CNS(=O)(=O)Cc1ccccc1 1775963750 BJOTVHXHERFKIQ-GUGJDKNPSA-N 412.555 3.179 0 40 HGAB biogenic,in-vitro CC(=O)N1CCCCCCCN(C(C)C)Cc2cc(C(=O)N(C)CC(=O)O)ccc21 2037940797 ZYJDNZVEGCUHJV-UHFFFAOYSA-N 417.550 3.371 0 40 HGAB O=S(=O)(NCCOc1ccc(-c2ccc(F)cc2)nn1)c1ccccc1Cl 9852936 LLMGBTDEPVWGTN-UHFFFAOYSA-N 407.854 3.293 0 40 HGAB O=C(COc1ccccc1)N(CCCN1CCOCC1)c1nc2ccccc2s1 22997283 WFZPZPUGYKMNGP-UHFFFAOYSA-N 411.527 3.431 0 40 HGAB O=C(CSc1nnc2c3cc(-c4ccc(F)cc4)nn3ccn12)N1CCCCC1 38486883 DPJQERWVPKRYTH-UHFFFAOYSA-N 410.478 3.288 0 40 HGAB COc1ccc(N(C[C@@H](O)CNCCC(C)C)S(=O)(=O)c2ccc(C)cc2)cc1 16839620 UXDGQBOWBKLKKA-FQEVSTJZSA-N 420.575 3.196 0 40 HGAB Cc1cc2c(cc1C)N(CC(=O)Nc1ccc(C(N)=O)cc1)C(=O)[C@H]1CCCC1=N2 101398929 JIOWSGLCKZLNME-KRWDZBQOSA-N 404.470 3.260 0 40 HGAB O=C(c1ccc2c(c1)OCCO2)C1CCN(C(=O)Nn2cnc3ccccc32)CC1 40068854 JTKRYUWHQNQHRU-UHFFFAOYSA-N 406.442 3.066 0 40 HGAB C[C@]12CSCC(=O)N1[C@H](C(=O)Nc1ccc3c(c1)OC1(CCCCC1)O3)CS2 40146588 CNGCCMOEFKXAHN-LIRRHRJNSA-N 420.556 3.464 0 40 HGAB CC(=O)Nc1ccc(S[C@H](C)C(=O)NC2CCN(C(=O)c3ccoc3)CC2)cc1 40153333 YYENYBSZYIBMEN-CQSZACIVSA-N 415.515 3.140 0 40 HGAB COC(=O)[C@@H](c1ccccc1Cl)N1CCN(C(=O)/C=C/c2csc(C)n2)CC1 36391810 OGWKUPCNXHGLSK-IHHMQQGQSA-N 419.934 3.177 0 40 HGAB COc1cccc(CNC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)c1 6943552 LILCBBFJEAYOMR-UHFFFAOYSA-N 402.516 3.190 0 40 HGAB COCCCNC(=O)c1cccc(S(=O)(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)c1 100533554 FMEMDTLASPXBPG-UTKZUKDTSA-N 408.564 3.042 0 40 HGAB CCOc1ccc(C(=O)NCC(=O)Nc2ccc(N3CCCC3=O)c(Cl)c2)cc1 11416663 HXWACPIKWKJTDR-UHFFFAOYSA-N 415.877 3.234 0 40 HGAB COCCNS(=O)(=O)c1ccc(C(=O)N(C)[C@@H](C)c2cc3ccccc3o2)cc1 32753962 XEKSEZLUYIYZFH-HNNXBMFYSA-N 416.499 3.191 0 40 HGAB O=C(CCCCCNC1=NS(=O)(=O)c2ccccc21)NCCCC1CCCC1 29180474 PQTYWEMTGUWHGI-UHFFFAOYSA-N 405.564 3.372 0 40 HGAB C[C@H]1C[C@H](C)CN(CCCNC(=O)c2ccccc2I)C1 10542908 MQOZGZAUGIFGSV-KBPBESRZSA-N 400.304 3.389 0 40 HGAB C[C@@H](Sc1nnc(NCc2ccco2)s1)C(=O)NCc1ccc2c(c1)OCO2 9789720 UVEGISBHEHXTEO-LLVKDONJSA-N 418.500 3.269 0 40 HGAB CC(=O)c1ccc(N2CCN(CC(=O)Nc3ccnn3C3CCCC3)CC2)c(F)c1 52686899 ZIDCVLVDANSYPM-UHFFFAOYSA-N 413.497 3.101 0 40 HGAB Cc1ccc(C(=O)c2sc3c(c2N)c(=O)[nH]c(=O)n3CCc2ccccc2)cc1 2659895 GLCXDWDZKNHPCT-UHFFFAOYSA-N 405.479 3.116 0 40 HGAB O=C(NCCOc1ccc(F)cc1)c1cccc(NS(=O)(=O)c2ccccc2)c1 29297081 QZJNBDWSXNDJEY-UHFFFAOYSA-N 414.458 3.435 0 40 HGAB CCc1cc(=O)oc2cc(C)cc(O[C@H](C)C(=O)NC[C@H]3CC[C@H](C(=O)O)CC3)c12 100762053 HOGNSHPIFOIKIO-INMHGKMJSA-N 415.486 3.438 0 40 HGAB C[C@H]1CCCC[C@@]12NC(=O)N(CN1CCN(Cc3cccc4ccccc34)CC1)C2=O 22775557 QKBZUDWIOHERIE-UQBPGWFLSA-N 420.557 3.416 0 40 HGAB COC(=O)c1c(NC(=O)c2nc3nc(C)cc(C(F)F)n3n2)sc2c1CCCC2 815238 KGBDNIIBNDUADA-UHFFFAOYSA-N 421.429 3.350 0 40 HGAB CC(=O)N1CCN(c2ccc(NC(=O)COc3ccc(Cl)c(C)c3)cc2)CC1 809787 KFODSLIRGOBIHM-UHFFFAOYSA-N 401.894 3.334 0 40 HGAB COc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC(C)C)ccc1OC(=O)c1ccco1 913332 XXQJISKGAOWPQR-GOSISDBHSA-N 414.414 3.087 0 40 HGAB O=C(NC(=S)N1CCN(c2ccccc2F)CC1)c1ccc(Br)cc1 1064810 HECNJQAMTKOQLL-UHFFFAOYSA-N 422.323 3.425 0 40 HGAB COc1ccc(/C=C2\N=C3SCN(c4ccccc4OC)CN3C2=O)cc1OC 12321338 PDMNTTUEDJOCLX-GDNBJRDFSA-N 411.483 3.420 0 40 HGAB Cc1noc2nc(-c3cccs3)cc(C(=O)N[C@H](CC(C)C)C(=O)N(C)C)c12 47223748 HHLVLEVWIAHKQT-OAHLLOKOSA-N 400.504 3.492 0 40 HGAB Cc1nn(CCC(=O)N2CCN(c3ccc(F)cc3)CC2)c(C)c1Br 27969283 HZDFHJARFGVOEL-UHFFFAOYSA-N 409.303 3.140 0 40 HGAB COc1ccc(CSc2nnc(Nc3ccc(C)c(C)c3)c(=O)n2N)cc1OC 28535945 QJYZXJKFQGXBBR-UHFFFAOYSA-N 413.503 3.022 0 40 HGAB O=C(NCc1ccc(-n2ccnc2)cc1)c1ccc(I)cc1 20107149 INPRLHMLGLNDQB-UHFFFAOYSA-N 403.223 3.407 0 40 HGAB O=C1Nc2cc(Cl)ccc2S[C@H]1CC(=O)N1CCN(c2ccccc2)CC1 12556267 CJGDMIQMXODSKT-SFHVURJKSA-N 401.919 3.492 0 40 HGAB O=C(c1ccccc1)N1CCN(Cc2nc(-c3ccccc3OC(F)F)no2)CC1 16695785 SOHKJVOQIJSRHI-UHFFFAOYSA-N 414.412 3.296 0 40 HGAB CN1CCCN(C(=O)c2ccccc2NC(=O)c2cccc(Br)c2)CC1 58152780 ZPRCTEDAVIUWFF-UHFFFAOYSA-N 416.319 3.479 0 40 HGAB CC(=O)c1cccc(NC(=O)CCc2ccc(S(=O)(=O)N3CCCC3)cc2)c1 8113942 DNOZALXLRLVQLK-UHFFFAOYSA-N 400.500 3.245 0 40 HGAB Cc1noc(C)c1CSc1ncccc1C(=O)NCCC(=O)Nc1ccncc1 58215603 LENRBUDITQRKOL-UHFFFAOYSA-N 411.487 3.132 0 40 HGAB CCOC(=O)c1c(C)[nH]c(C(=O)Cn2nnc(-c3cccc(C(F)(F)F)c3)n2)c1C 3292998 BCBDHBGBYCNIME-UHFFFAOYSA-N 421.379 3.363 0 40 HGAB C[C@@]1(c2ccccc2Cl)NC(=O)N(CC(=O)N[C@@H]2CCCc3ccccc32)C1=O 3593463 MMXMWNLTRNSXJU-GCJKJVERSA-N 411.889 3.301 0 40 HGAB COc1ccc(C(=O)N[C@H](C)CCc2ccco2)cc1S(=O)(=O)NC1CCCC1 8313413 HQAPJVXDBDULPJ-OAHLLOKOSA-N 420.531 3.260 0 40 HGAB C[C@H](C(=O)Nc1ccccc1C(=O)NC(C)(C)C)N(c1ccccc1)S(C)(=O)=O 408619179 MVGKVVVSZUNXRB-OAHLLOKOSA-N 417.531 3.008 0 40 HGAB S=C(NCc1ccc(Cl)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 17082780 BTOYBRIETSCOEE-UHFFFAOYSA-N 403.935 3.261 0 40 HGAB C[C@H]1CCc2c(sc(NC(=O)CSc3nnc4n3CCCCC4)c2C(N)=O)C1 6097435 MIHDVESDDIEHOJ-NSHDSACASA-N 419.576 3.021 0 40 HGAB O=C(COc1ccc2nc3n(c(=O)c2c1)CCC3)N1CCC(Cc2ccccc2)CC1 13735047 IDUXGMKNMGKCPL-UHFFFAOYSA-N 417.509 3.203 0 40 HGAB CCOC(=O)c1sc(NS(=O)(=O)c2ccc(OC)c(NC(C)=O)c2)cc1C 5252602 RAIBSUJVQUFUCC-UHFFFAOYSA-N 412.489 3.001 0 40 HGAB Cc1ccc(OCc2nnc(SCC(=O)N3[C@H](C)CCC[C@H]3C)n2N)c(C)c1 5321035 PURLOCIACZNUOB-HZPDHXFCSA-N 403.552 3.069 0 40 HGAB CN1C[C@@H](C(=O)N(C)Cc2ccccc2)OC2(CCN(Cc3cccs3)CC2)C1 306138312 RUSUXJBPGQUOLS-NRFANRHFSA-N 413.587 3.072 0 40 HGAB CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)CSCc1c(C)noc1C 6509917 REJUEPSLBTUJOJ-UHFFFAOYSA-N 408.476 3.072 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)[C@H]1CC1(Cl)Cl 6649800 FOIFJWFDJCJKAD-GFCCVEGCSA-N 407.319 3.002 0 40 HGAB COc1ccccc1CCNC(=O)Cc1c(C)c2ccc(OC)c(OC)c2oc1=O 4743128 POMJBCCKIRRLAJ-UHFFFAOYSA-N 411.454 3.029 0 40 HGAB COc1cc(NC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc(OC)c1OC 4731886 RBVDCNXRZVUPCM-LBPRGKRZSA-N 404.850 3.357 0 40 HGAB COc1ccccc1NC(=O)Cc1nnc(SCC(=O)c2ccc(F)cc2)n1C 4814597 VOOSFQXFHJUDIS-UHFFFAOYSA-N 414.462 3.119 0 40 HGAB CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@H](C)N2CCc3ccccc32)ccc1C 5897884 ZOIXWQTVJAZPNB-KRWDZBQOSA-N 415.559 3.415 0 40 HGAB C[C@H](NC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)c1cc2ccccc2o1 7278931 JPZPMTQKWOYGOX-PSLXWICFSA-N 403.438 3.004 0 40 HGAB COc1ccc(S(=O)(=O)NCC(=O)Nc2ccc3c(c2)Cc2ccccc2-3)cc1 15982831 OVQCVMJUSKWPAP-UHFFFAOYSA-N 408.479 3.183 0 40 HGAB COc1ccc(CCn2c(C)cc(C(=O)COC(=O)c3ccc[nH]c3=O)c2C)cc1 7676830 GDHUYBRXMAODOC-UHFFFAOYSA-N 408.454 3.084 0 40 HGAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(F)c(F)c3)C2)cc1 20017333 LAMYSQMPLTVWDV-CQSZACIVSA-N 424.469 3.403 0 40 HGAB NC(=O)C1CCN(C(=O)/C=C/c2cn(Cc3ccccc3)nc2-c2cccs2)CC1 9459911 FFOFWMBAEBHYJK-CMDGGOBGSA-N 420.538 3.397 0 40 HGAB O=C(NCc1ccccc1)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1 19860679 FGHUOIJUPJNFLX-GOSISDBHSA-N 406.935 3.198 0 40 HGAB Cc1nc(-c2cccc(NC(=O)CCNS(=O)(=O)c3cccs3)c2)cs1 9516028 ULWASVGEBZKDGN-UHFFFAOYSA-N 407.542 3.487 0 40 HGAB CCN(CC)S(=O)(=O)c1cccc(C2=N/C(=C/c3ccc(OC)cc3)C(=O)O2)c1 96991080 DAQHMJGZBATCTL-CPNJWEJPSA-N 414.483 3.070 0 40 HGAB CC(C)OC(=O)[C@H](C)CNC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl 84621816 ONOMAMABXUBCMP-MLGOLLRUSA-N 415.317 3.302 0 40 HGAB O=C(CNC(=O)C(=O)Nc1cc(Cl)cc(Cl)c1)Nc1ccccc1Cl 408553792 QOJODSCKOYQMDH-UHFFFAOYSA-N 400.649 3.340 0 40 HGAB C[C@H](C(=O)NCc1ccccc1)N1CCC(c2c[nH]c3ccc(C(N)=O)cc23)CC1 95466739 PAWAALZOHNBUFM-MRXNPFEDSA-N 404.514 3.151 0 40 HGAB COc1ccc(CN2CC[C@H](NC(=O)CSCc3cccc(Cl)c3)C2=O)cc1 78813784 IUVNAXFBDBCYEO-IBGZPJMESA-N 418.946 3.499 0 40 HGAB CCN(CC)[C@H]1CCN(c2cc(C3CC3)nc(N3CC[C@H](N(CC)CC)C3)n2)C1 553398512 FLNQPJMGHOFIHL-PMACEKPBSA-N 400.615 3.195 0 40 HGAB CCOc1ccc(OCCNC(=O)CN2CCn3cccc3[C@@H]2c2ccccc2)cc1 32825336 YFMQRAAZNMAGEO-VWLOTQADSA-N 419.525 3.487 0 40 HGAB O=C(Cn1ncc(=O)c2ccccc21)NCCOCc1ccc(Cl)cc1Cl 1520521473 OODXXLCIDTZBAM-UHFFFAOYSA-N 406.269 3.036 0 40 HGAB NC(=O)C[C@@H](NC(=O)Oc1ccccc1)C(=O)Nc1ccc(-c2ccccc2)cc1 409001061 GHPWERHUPSOSIU-HXUWFJFHSA-N 403.438 3.325 0 40 HGAB CCn1cc(CN2[C@H]3CC[C@@H]2CC(O)(Cn2nc(C)ccc2=O)C3)c2ccc(F)cc21 72394818 NDJCREJKNMEMCJ-VXMMSVGHSA-N 424.520 3.224 0 40 HGAB CCc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)cc1 216366549 WFGNRLFTQDMHGA-UHFFFAOYSA-N 411.483 3.462 0 40 HGAB COc1ccc(Cl)cc1NC(=O)NCC1CCN(C(=O)c2ccncc2)CC1 70926377 SGYGDHQQAJSCDI-UHFFFAOYSA-N 402.882 3.418 0 40 HGAB CCC1(CC)C[C@H](NC(=O)[C@@H]2CCCN(S(=O)(=O)CC)C2)c2ccccc2O1 225307105 YJCYQAFIZKYWKF-AEFFLSMTSA-N 408.564 3.247 0 40 HGAB Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(Nc4ccccc4)[nH]c(=O)c32)cc1C 40399167 RJKLURPTWGVXNI-MRXNPFEDSA-N 403.442 3.195 0 40 HGAB COC(=O)c1cc(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)ccc1Cl 223291168 AGJUHWQYBMVKCL-UHFFFAOYSA-N 422.934 3.254 0 40 HGAB O=C(C1CCC1)N1CCC(O)(c2csc(CN3CCc4ccccc4C3)n2)CC1 225475348 JXFDSYBPNXAYSM-UHFFFAOYSA-N 411.571 3.312 0 40 HGAB biogenic,in-vitro Cc1c(Cl)cccc1S(=O)(=O)N1CC(n2cc(COc3ccccc3)nn2)C1 225629451 BZGXGPBEUQWTBK-UHFFFAOYSA-N 418.906 3.065 0 40 HGAB COc1ccc(CNC(=O)c2ccc(CN(C)S(=O)(=O)c3ccccc3)cc2)cc1 224407858 NZGXOLWXDSXCKT-UHFFFAOYSA-N 424.522 3.446 0 40 HGAB Cc1cccc(C)c1N(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@@H]2C1=O)[C@@H]1C[C@H]31)C(=O)C(F)(F)F 226400898 NAYGKMWJHAHOFD-FFRIZKCHSA-N 418.415 3.209 0 40 HGAB CC[C@H](NS(=O)(=O)c1ccc2c(c1)sc(=O)n2C)c1ccc(OC)c(C)c1 225685319 NTIRMOSVJPFHJU-HNNXBMFYSA-N 406.529 3.347 0 40 HGAB Cc1n[nH]c(C)c1CCC(=O)N1CCO[C@@H](c2cccc(Nc3ccccn3)n2)C1 257270116 MSVOCYGPSZMMRD-LJQANCHMSA-N 406.490 3.093 0 40 HGAB Cc1nn(C)c(C)c1NC(=O)CN1CCC(c2cccc(Nc3ccccn3)n2)CC1 257328410 XFNNVYSLCSLGLI-UHFFFAOYSA-N 419.533 3.389 0 40 HGAB CC1(C)CN(C(=O)c2ccccc2)C[C@@H]2CN(C(=O)Nc3ccc(F)cc3)CCN21 253399391 JAPMMARAOVMBTJ-FQEVSTJZSA-N 410.493 3.278 0 40 HGAB biogenic,in-vitro O=C1CCC[C@]2(CN(CC(=O)N3CCCc4ccccc43)C[C@H]2c2cccc(F)c2)N1 257324443 WOSCFQGQAFNWHX-SQJMNOBHSA-N 421.516 3.243 0 40 HGAB CSc1ccc([C@H](O)CNC(=O)C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 96103274 FDTCBJPJHJNSBS-OAHLLOKOSA-N 414.405 3.095 0 40 HGAB Cc1nc(N2CCC(COc3cccc(C(F)(F)F)n3)CC2)c2cnn(C)c2n1 585532637 VBSAAIADIMPQCR-UHFFFAOYSA-N 406.412 3.381 0 40 HGAB Cc1cc(-c2cnc(C)nc2C2CCN(C(=O)CCn3nc(C)cc3C)CC2)on1 12118348 CEJCWKGSJOWLIR-UHFFFAOYSA-N 408.506 3.358 0 40 HGAB CCOc1ccccc1CCCNC(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O 13613079 XEGYAPCMBXYGFV-UHFFFAOYSA-N 418.559 3.217 0 40 HGAB Cc1ccc(-n2ncc(C(=O)C3CCN(C(=O)c4scnc4C)CC3)c2N)cc1 19213334 NUTUDNZKBYUJDC-UHFFFAOYSA-N 409.515 3.263 0 40 HGAB Cc1cccnc1-n1cccc1CN(CCCN1CCOCC1)Cc1cccnc1 19237891 KWVALBRVCBRGLE-UHFFFAOYSA-N 405.546 3.300 0 40 HGAB Cc1cc(C)cc(-c2ccccc2C[C@H]2CN(C(=O)c3cnn(C)c3)CCNC2=O)c1 19569881 NWKJBJAZRBUQIX-NRFANRHFSA-N 416.525 3.135 0 40 HGAB Cc1ccc(C2(C(=O)Nc3cccc(OCCN4CCOCC4)c3)CCOCC2)cc1 19658183 WOKTYWNGUNGZRN-UHFFFAOYSA-N 424.541 3.393 0 40 HGAB Cc1nc([C@H]2CCCN(C3CCOCC3)C2)nc2c1CC(=O)N2Cc1ccc(F)cc1 19743900 JNOAGOXEXPKRTP-SFHVURJKSA-N 424.520 3.372 0 40 HGAB Cc1cc2cc(CN(C(=O)c3cnccn3)C3CCCC3)c3nnnn3c2cc1C 35311141 KFYNHKBZIPHFGR-UHFFFAOYSA-N 401.474 3.269 0 40 HGAB CC(C)NC(=O)CSc1nc2ccccc2n1CC(=O)N1CCc2ccccc21 4093115 GYZAMJRSWPMHCD-UHFFFAOYSA-N 408.527 3.242 0 40 HGAB Cc1ccn(C[C@@H](C)C(=O)N2CCC[C@H](c3nc4ccc(F)cc4cc3C(N)=O)C2)n1 13227732 IJLITVBQPOADSP-ZBFHGGJFSA-N 423.492 3.020 0 40 HGAB CCCCN(C(=O)c1cc2c(s1)CCCCC2)c1c(N)n(CCC)c(=O)[nH]c1=O 5938535 PIGICWJDWBEQQA-UHFFFAOYSA-N 418.563 3.306 0 40 HGAB CCOC(=O)[C@@H]1CCCCN1C(=O)CSc1nnc2cc(C)c3ccccc3n12 7246023 IUKDVPJBXYHCSE-KRWDZBQOSA-N 412.515 3.227 0 40 HGAB Cn1cc(-c2ccc(CCNC(=O)C(=O)Nc3ccc(F)c(Cl)c3)cc2)cn1 1889276375 AFUQXIQVXCUYNI-UHFFFAOYSA-N 400.841 3.177 0 40 HGAB Cc1ccc2c(c1)C(=O)N([C@@H](C)C(=O)Nc1ccccc1NC(=O)NC(C)C)C2=O 1136245183 FBRDNMDSOMZWKY-AWEZNQCLSA-N 408.458 3.148 0 40 HGAB O=C(Nc1ccc(S(=O)(=O)C(F)F)cc1)c1cccc(CN2CCCC2=O)c1 29764488 LBYIYNOGEWKVAA-UHFFFAOYSA-N 408.426 3.058 0 40 HGAB Cc1ncnc(C(=O)N2CCC3(CC[C@@H]3NC(=O)CCc3ccccc3)CC2)c1C 1565555113 SGHZTAOJRCYGJJ-FQEVSTJZSA-N 406.530 3.227 0 40 HGAB COc1cc([C@H]2SC[C@H]3C(=O)N(c4ccccc4)C(=O)N32)cc(OC)c1OC 1443389 NWDAALGFYWWTFO-IFXJQAMLSA-N 400.456 3.295 0 40 HGAB COc1cc([C@@H](c2sc3nc(C)nn3c2O)N2CCCCC2)cc(OC)c1OC 23157947 GTABXKFJRZSEAR-INIZCTEOSA-N 418.519 3.406 0 40 HGAB O=C(CN1CCC[C@H](NC(=O)C2CC2)C1)Nc1cc(C(F)(F)F)ccc1Cl 2086875342 AUTBVLYEBIADAA-ZDUSSCGKSA-N 403.832 3.288 0 40 HGAB COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](Cc2nc(C3CC3)no2)C1 220785720 YGLFYGDNORRLFS-LBPRGKRZSA-N 411.911 3.252 0 40 HGAB CCOC(=O)c1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2CC)cc1 27819133 KVNGRPDVGCDRPY-UHFFFAOYSA-N 417.512 3.385 0 40 HGAB COc1ccc(OC)c(NC(=O)C2CCC(Cn3nnc4ccccc4c3=O)CC2)c1 5271864 DSRJDJKYJAONCZ-UHFFFAOYSA-N 422.485 3.254 0 40 HGAB O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)N1CCc2ccccc2C1 6889791 RXFZZMQANRTONK-UHFFFAOYSA-N 420.534 3.462 0 40 HGAB Cc1cc(C)n(C[C@@H](C)CNC(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)n1 40121535 JZPYVZNLUYNQLD-HNAYVOBHSA-N 416.953 3.458 0 40 HGAB COc1ccc(C(=O)CSc2nnc(CCc3nc4ccccc4[nH]3)n2C)cc1 892175 BALXPZILJZYMPJ-UHFFFAOYSA-N 407.499 3.460 0 40 HGAB CCCN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc(OC)cc2)C1=O 2148641 UMLYWLJKLSABKR-NZQKXSOJSA-N 403.482 3.271 0 40 HGAB biogenic COc1ccc(OC)c(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)c1 2623962 BGIQWWBWYYKCCZ-UHFFFAOYSA-N 418.515 3.439 0 40 HGAB O=C(N[C@H]1CCCc2ccccc21)C1CCN(S(=O)(=O)c2cccs2)CC1 3341470 UYAUOBKGHNAAAO-SFHVURJKSA-N 404.557 3.343 0 40 HGAB CC(=O)Nc1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1 3462670 UCLLISNPKLTBCM-UHFFFAOYSA-N 415.515 3.462 0 40 HGAB CCOc1ccc(-c2nnc3ccc(SCC(=O)Nc4nccs4)nn23)cc1 4165098 XVGGANGEQKVRDX-UHFFFAOYSA-N 412.500 3.377 0 40 HGAB Cc1ccc(NC(=O)Cn2cnc3c(cnn3-c3ccc(F)cc3)c2=O)cc1Cl 4165999 PXLWLRYZKDEICE-UHFFFAOYSA-N 411.824 3.322 0 40 HGAB CCOC(=O)CNC(=O)CSc1nc(C2CC2)nc2sc3c(c12)CCCC3 4217326 JUEUWZLQECTPLY-UHFFFAOYSA-N 405.545 3.219 0 40 HGAB CCCc1nnc(NC(=O)CSc2nnc(-c3ccc(OC)cc3)n2C)s1 4814784 FUOZEHSFEVAZGT-UHFFFAOYSA-N 404.521 3.026 0 40 HGAB COc1cccc(-c2nnc(NC(=O)c3cc(OC)c(OC)c(OC)c3)s2)c1 4893646 IGANWQJLMSHTMP-UHFFFAOYSA-N 401.444 3.492 0 40 HGAB CCOC(=O)N1CCN(c2ncc3c(n2)C[C@H](/C=C/c2ccccc2)CC3=O)CC1 4988737 BJIDUBMJJZTWNV-BLGFXRMMSA-N 406.486 3.214 0 40 HGAB CC(C)Oc1ccc(N2C[C@@H](C(=O)Nc3ccccc3C(=O)NC3CC3)CC2=O)cc1 5060656 RMQMBCAHYSNTMC-INIZCTEOSA-N 421.497 3.358 0 40 HGAB Cc1ccc(C)c(S(=O)(=O)Nc2ccc(Cl)c(N3CCCS3(=O)=O)c2)c1 5075849 XFAMNEIXLQWPGR-UHFFFAOYSA-N 414.936 3.298 0 40 HGAB COc1cccc(C(=O)Nc2ccc(Cl)c(N3CCCS3(=O)=O)c2)c1OC 5076032 RZAACEFFGDEGJW-UHFFFAOYSA-N 410.879 3.149 0 40 HGAB COc1ccc(N2C[C@H](NC(=O)N[C@@H]3C[C@H](C)CC(C)(C)C3)CC2=O)cc1OC 5202064 PNWPXDZIPMVZMY-ARFHVFGLSA-N 403.523 3.323 0 40 HGAB O=C([C@@H](Sc1n[nH]c(=O)n1CCc1ccccc1)c1ccccc1)N1CCCC1 5506291 WBYCMMJLEXWJJK-IBGZPJMESA-N 408.527 3.270 0 40 HGAB Cn1c(SCc2nc3ccc(Cl)cc3n2CCO)nnc1-c1ccncc1 5888465 HUAABXOLTHKRNG-UHFFFAOYSA-N 400.895 3.165 0 40 HGAB O=C(N[C@H]1CCCc2ccccc21)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 6283423 QOLZWZVXIUBQMG-NRFANRHFSA-N 416.518 3.420 0 40 HGAB COc1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCCCCC3)cs2)cc1 6680787 AUCDRXSLEZFUDZ-UHFFFAOYSA-N 408.545 3.251 0 40 HGAB C[C@H]1CCCN(S(=O)(=O)c2csc(C(=O)Nc3ccc(C(=O)O)cc3)c2)C1 6680930 GUUNOMNPUXQENJ-LBPRGKRZSA-N 408.501 3.119 0 40 HGAB O=C(N[C@@H](Cc1ccccc1)C(=O)NCCc1c[nH]c2ccccc12)c1ccco1 6778524 MMPYUJPAYWCKTF-NRFANRHFSA-N 401.466 3.461 0 40 HGAB CCOC(=O)C1=C(C)N(C)[C@]2(SC(C(=O)OC)=NN2c2cccc(C)c2)S1 6810035 WTUTUXWUOMPTHW-GOSISDBHSA-N 407.517 3.119 0 40 HGAB Cc1ccc(CN(C(=O)[C@H](C)Oc2ccc(C)c(C)c2)[C@H]2CCS(=O)(=O)C2)o1 6810336 QNNUMDXHEFUMHX-ROUUACIJSA-N 405.516 3.188 0 40 HGAB O=C(/C=C/c1ccc(F)cc1)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@H]1CCCO1 7671631 OCTSKBFLLHSHQX-ZPHJMFTNSA-N 407.445 3.283 0 40 HGAB O=C(NCCCc1ccccc1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 7683751 PLBSMCQXMKUKCF-IBGZPJMESA-N 406.935 3.242 0 40 HGAB COc1ccc(Br)cc1CN(C)CCN1C(=O)c2ccccc2C1=O 7696645 GWLOTBXQPCKCNY-UHFFFAOYSA-N 403.276 3.186 0 40 HGAB C[C@H]1c2ccsc2CCN1C(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 7830050 KSGGHAZDIRGBEF-AWEZNQCLSA-N 422.547 3.434 0 40 HGAB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/C=C/c2ccc(OC)cc2)C1=O 8088140 RPLPLHRJJIDLTP-VCPLEAFOSA-N 405.454 3.345 0 40 HGAB Cc1ccccc1C(=O)N1CCC(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)CC1 8165435 JVQDALPDSDEASA-UHFFFAOYSA-N 420.557 3.238 0 40 HGAB Cc1ccc(OCCNC(=O)c2ccc(S(=O)(=O)N3CCCC[C@H]3C)cc2)cc1 8237663 DTHPJWDFZLANLI-GOSISDBHSA-N 416.543 3.367 0 40 HGAB O=C(COC(=O)c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)c1)c1ccc(F)cc1 8722545 ZXDKABSUMMRFPJ-YQMDMEMYSA-N 419.408 3.177 0 40 HGAB Cc1c(CC(=O)N(C)C2CCN(C)CC2)c(=O)oc2cc3c(cc12)CCC(C)(C)O3 8879182 AUYSUPQGZKXKRE-UHFFFAOYSA-N 412.530 3.300 0 40 HGAB biogenic CN(Cc1ccc2c(c1)OCO2)C(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12 9513166 JKZWBHJHPGVLMJ-UHFFFAOYSA-N 413.433 3.387 0 40 HGAB CS(=O)(=O)Nc1cccc(S(=O)(=O)Nc2ccc(SC(F)F)cc2)c1 9546232 NMMQSBOXGJUROU-UHFFFAOYSA-N 408.473 3.174 0 40 HGAB Cn1c(=O)n(Cc2c(F)cccc2Cl)c(=O)c2c1nc1oc(C(C)(C)C)cn12 9789825 BCRIEQKBJYDYOO-UHFFFAOYSA-N 404.829 3.079 0 40 HGAB O=C(c1ccccc1I)N1CCN(CCc2ccccc2)CC1 10234333 PGSVKTLHEPQGEJ-UHFFFAOYSA-N 420.294 3.292 0 40 HGAB CC(C)(C)c1nn(-c2ccccc2)c2[nH]c(=O)c(CNCCOC[C@H]3CCCO3)cc12 12186395 UCUXFJOTAYCLKG-LJQANCHMSA-N 424.545 3.297 0 40 HGAB COc1ccc(N2C[C@@H](C(=O)Nc3ccc4c(c3)OCCO4)CC2=O)cc1Cl 12408322 SCUKNKWFTZLERE-LBPRGKRZSA-N 402.834 3.111 0 40 HGAB CCn1c(SCC(=O)c2cc(C)n(-c3nnc[nH]3)c2C)nnc1-c1ccoc1C 12593334 MIVURPJXAWFEFZ-UHFFFAOYSA-N 411.491 3.367 0 40 HGAB COC(=O)c1cc(OC)c(OC(F)F)cc1NS(=O)(=O)c1ccc(F)cc1C 12605334 WHMVQSFEBPSUML-UHFFFAOYSA-N 419.377 3.332 0 40 HGAB C[C@@H](Oc1cccc(N2CCCC2=O)c1)C(=O)Nc1ccc(N2CCOCC2)cc1 12632657 YOOMUBBLERHRMU-QGZVFWFLSA-N 409.486 3.056 0 40 HGAB COc1ccc(C(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCCCC3)c2)cc1F 12684946 DVDACCJATDGSRK-UHFFFAOYSA-N 422.478 3.270 0 40 HGAB CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2CCCC[C@@H]2C(F)(F)F)c1 12765510 AKHYVLFCMAJLIW-GXTWGEPZSA-N 412.861 3.441 0 40 HGAB COc1ccc(Cl)cc1CN1CCN(C(=O)Nc2ccc3c(c2)OCCO3)CC1 13324442 RXGIWFTZCXYGME-UHFFFAOYSA-N 417.893 3.470 0 40 HGAB C/C(=C/C(=O)Nc1ccc(C(=O)OCC(=O)Nc2ccc(Cl)cc2)cc1)C(=O)O 13579351 MQUMIYYNVPSIEP-BENRWUELSA-N 416.817 3.105 0 40 HGAB COc1ccccc1CNC(=O)CNS(=O)(=O)c1ccc(C2CCCCC2)cc1 14165005 QRHVGTOMCJBSNM-UHFFFAOYSA-N 416.543 3.338 0 40 HGAB CCCN1C=NS(=O)(=O)c2cc(C(=O)Nc3ccc(C(=O)OCC)cc3)ccc21 15867530 BRUQKNOYILVWGQ-UHFFFAOYSA-N 415.471 3.063 0 40 HGAB CC(=O)c1c(C)cc(C)c(CN2CCN(S(=O)(=O)c3cccs3)CC2)c1C 16695778 ZSRVEMRGLXERNZ-UHFFFAOYSA-N 406.573 3.382 0 40 HGAB COc1c(C(=O)NC(=S)NC2=NCCS2)cc2ccccc2c1Br 17093803 CMLMNLWNNFFTCZ-UHFFFAOYSA-N 424.345 3.318 0 40 HGAB CCOc1ccc(NS(=O)(=O)c2ccc(C(=O)N3C[C@H](C)O[C@H](C)C3)cc2)cc1 17327276 YRZTXIOXGFSRJX-IYBDPMFKSA-N 418.515 3.136 0 40 HGAB COc1ccc(OC[C@@H](C)NC(=O)[C@@H]2CCCN2c2ncnc3ccccc23)cc1 19456701 UZSWEDQTAPARKY-IERDGZPVSA-N 406.486 3.191 0 40 HGAB COc1ccc([C@H]2CN(Cc3ccccc3)C[C@@H]2NC(=O)c2ccccn2)cc1OC 19561451 DWVBQYMZCQDERX-IRLDBZIGSA-N 417.509 3.497 0 40 HGAB Cc1sc2ncnc(N3CCC(C(=O)N[C@H](C)c4cnn(C)c4C)CC3)c2c1C 19716438 IRPKNDQCABZBKK-CYBMUJFWSA-N 412.563 3.444 0 40 HGAB CCOc1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(F)cc2)C1 19862447 UPYHSFPULAJFNA-QGZVFWFLSA-N 420.506 3.405 0 40 HGAB CCOc1ccc([C@@H](C)NC(=O)CN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 20040734 BYJMJGLZZWNNDT-QGZVFWFLSA-N 404.532 3.346 0 40 HGAB COc1ccc(OC)c(-n2nc(C(=O)NCc3ccco3)nc2-c2ccccc2)c1 20247738 PHCZOEXSCWXUQZ-UHFFFAOYSA-N 404.426 3.475 0 40 HGAB O=c1oc2ccccc2n1CN1CCN(Cc2csc(-c3ccccc3)n2)CC1 22913291 ZHPCYRRHRXEEKU-UHFFFAOYSA-N 406.511 3.493 0 40 HGAB NC(=O)c1ccc(NC(=O)C2CCN(c3ccc(-c4cccs4)nn3)CC2)cc1 23143338 LMGPIJWQJCVDBJ-UHFFFAOYSA-N 407.499 3.159 0 40 HGAB O=C(CN1CCN(c2ccccn2)CC1)N1c2ccccc2OC[C@H]1c1ccccc1 23882694 YNYVTYAWZCOGTD-QFIPXVFZSA-N 414.509 3.371 0 40 HGAB COc1cccc(NC(=O)[C@H](C)OC(=O)[C@@H](C)NC(=O)c2ccc(Cl)cc2)c1 24757503 CUASNOMHNUHEMD-OLZOCXBDSA-N 404.850 3.037 0 40 HGAB CCOC(=O)[C@@H]1Sc2nnc(C(F)(F)F)n2N[C@H]1c1ccc(OCC)cc1 27028548 OPNZSVUTAFOORE-NWDGAFQWSA-N 402.398 3.018 0 40 HGAB CS(=O)(=O)Nc1cccc(CNC(=O)c2cc3cccc(Br)c3o2)c1 32664678 HLNTUZILMHUIKE-UHFFFAOYSA-N 423.288 3.497 0 40 HGAB COc1nn(C)c2nc(C)c(CCC(=O)Nc3ccc(NC(C)=O)c(C)c3)c(C)c12 32818136 WNODNSKKDDWEFA-UHFFFAOYSA-N 409.490 3.432 0 40 HGAB O=C(CCNS(=O)(=O)c1cccs1)N[C@H]1CCSc2ccc(Cl)cc21 32837296 MYZZTPLYQVZNRK-ZDUSSCGKSA-N 416.977 3.423 0 40 HGAB CCOc1ccc([C@@H]2CCCN2c2ccc(S(C)(=O)=O)cc2S(C)(=O)=O)cc1 32856020 NQMRXZWQVXLEGJ-SFHVURJKSA-N 423.556 3.234 0 40 HGAB Cc1cccc(NC(=O)[C@H](C)N(C)CC(=O)N2c3ccccc3NC(=O)C[C@H]2C)c1 32860137 VPBOISLQEAWGJQ-SJORKVTESA-N 408.502 3.018 0 40 HGAB CCCC(=O)Nc1ccc2nc(C)n(CC(=O)Nc3ccccc3OCC)c(=O)c2c1 35288569 PIEDYXGHCMIZOT-UHFFFAOYSA-N 422.485 3.481 0 40 HGAB CCOC(=O)C1CCN(C(=O)[C@@H]2CCCN(c3ccc(-c4ccccc4)nn3)C2)CC1 35398668 VCIOTJBDOSBCSV-HXUWFJFHSA-N 422.529 3.162 0 40 HGAB O=C(NCCCN1CCOCC1)c1cc2occc2n1Cc1ccc(Cl)cc1 36357327 HDSMYMRAPZZXIA-UHFFFAOYSA-N 401.894 3.388 0 40 HGAB Cn1c(SCC(=O)NC[C@@H]2COc3ccccc3O2)nc2cc(Cl)ccc21 44049195 WQIIFCMKENEYCX-CYBMUJFWSA-N 403.891 3.275 0 40 HGAB Cc1ccc(NC(=O)Cn2nc3c(Sc4ccccc4)nccn3c2=O)c(C)c1 49008750 HLVHKIAFIMZHCB-UHFFFAOYSA-N 405.483 3.298 0 40 HGAB COc1cc(OC)cc(C(=O)N2CCC(C(=O)N(C3CC3)[C@@H](C)C3CC3)CC2)c1 49675769 GRDWXALFCCNNNR-HNNXBMFYSA-N 400.519 3.346 0 40 HGAB CCOC(=O)N1CCN([C@H](C)C(=O)Nc2ccc(OCc3ccccc3)cc2)CC1 57406177 YNMKRGAKTGDCRU-GOSISDBHSA-N 411.502 3.367 0 40 HGAB CCN1CCC(NC(=O)c2cc(Cl)c(I)cc2OC)CC1 57992492 GYVOCCUHWVGQII-UHFFFAOYSA-N 422.694 3.167 0 40 HGAB O=C(Nc1ccccc1C(=O)NCc1cccnc1)c1ccc(N2CCCC2=O)cc1 61240201 NJVRTXVHBBDPCK-UHFFFAOYSA-N 414.465 3.391 0 40 HGAB COCCN(C)CC[C@@H](NC(=O)C(=O)Nc1ccc(C)cc1Cl)c1ccccc1 78751633 IWWJGPKCTQLLAA-LJQANCHMSA-N 417.937 3.413 0 40 HGAB O=C1CCCN1c1ccc(S(=O)(=O)Nc2cc(Br)ccc2O)cc1 79020392 OKNHGEYBOYVXFA-UHFFFAOYSA-N 411.277 3.082 0 40 HGAB O=c1occ(CN2CCCCCC2)c(O)c1CN1CCN(Cc2ccccc2)CC1 79464838 WRCDIBRQKSJXRS-UHFFFAOYSA-N 411.546 3.039 0 40 HGAB Cc1c(C(=O)N[C@H]2Cc3ccccc3[C@@H]2O)cnn1-c1ccc(Br)cc1 89544871 BMQUQDLHCYUWPM-OALUTQOASA-N 412.287 3.331 0 40 HGAB Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)c3cccc(Cl)c3)CC2)c(C)c1 89568830 AAADDLKQPBWTJJ-UHFFFAOYSA-N 406.935 3.412 0 40 HGAB COc1ccc(NC(=O)C2=NO[C@@]3(CCCN(C(=O)NCc4ccccc4)C3)C2)cc1 96074375 VTIAMFCIJMZQSY-QHCPKHFHSA-N 422.485 3.154 0 40 HGAB CCOc1ccc(S(=O)(=O)N2CCC(c3nnc(C(F)(F)F)o3)CC2)cc1 96340591 SILGKBIFQMUBLU-UHFFFAOYSA-N 405.398 3.055 0 40 HGAB Cc1ccc(N2C(=O)[C@@H]3[C@@H](N=NN3Cc3nc(-c4ccc(Cl)cc4)no3)C2=O)cc1 101272253 VZACLBIXFOITGF-SJORKVTESA-N 422.832 3.192 0 40 HGAB CC[C@@H](C(=O)NCCCc1cccc(OC)c1)N(c1ccccc1F)S(C)(=O)=O 220601444 PAVQSXQLYPJWNL-IBGZPJMESA-N 422.522 3.128 0 40 HGAB COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(C)n1-c1cccnc1 223683344 MGZZYJQCHDQEDD-RTWAWAEBSA-N 421.526 3.111 0 40 HGAB Cc1ccc(S(=O)(=O)N(C)c2ccc(Cl)c(C(=O)NCCCN(C)C)c2)cc1 224343170 LUPYTHGUAXCLIY-UHFFFAOYSA-N 423.966 3.155 0 40 HGAB Cc1ccc(C(=O)NCc2ccc(-n3ccnc3)cc2)cc1N1CCCCS1(=O)=O 224397620 RROQJDFEZGXJGB-UHFFFAOYSA-N 424.526 3.041 0 40 HGAB CC[C@H](NS(=O)(=O)c1ccc(OC)c(N2C(=O)CCC2=O)c1)c1ccccc1C 224414421 ZYDBYUJRBCOBOF-KRWDZBQOSA-N 416.499 3.087 0 40 HGAB Cc1nc(N2CCC(NC(=O)c3cc(-c4ccco4)n[nH]3)CC2)cc(C(F)(F)F)n1 225725065 SVWIAQZWCZOGCG-UHFFFAOYSA-N 420.395 3.186 0 40 HGAB O=C(c1cc2ccc(F)cc2[nH]1)N1CCC[C@](O)(CN2CCC(F)(F)CC2)CC1 257280676 OLWBCKRDBQHMCW-HXUWFJFHSA-N 409.452 3.395 0 40 HGAB COc1cccc(N([C@H](C)C(=O)NCc2cccc3ccccc23)S(C)(=O)=O)c1 260830725 HENZSLNJFZRVLH-MRXNPFEDSA-N 412.511 3.319 0 40 HGAB CC(C)(C)c1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)NCC1CCCCC1)O2 260844194 GPJBWWRXWDWTHY-LJQANCHMSA-N 408.564 3.208 0 40 HGAB COc1cccc(-c2ccc3nc([C@H]4CCCN(C(=O)c5cnn(C)c5)C4)nn3c2)c1 306123744 AVKVMUKTTPJKTQ-SFHVURJKSA-N 416.485 3.158 0 40 HGAB Cc1ccc(C(=O)N2CCN(C)[C@H](c3ncn4cc(-c5cccnc5)ccc34)C2)o1 306127667 GEMRQTIXLQBVBQ-FQEVSTJZSA-N 401.470 3.427 0 40 HGAB COCCNC(=O)c1cc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)ccc1C 408600864 CWWZHVUVGLKWCV-UHFFFAOYSA-N 417.314 3.479 0 40 HGAB Cc1cc(C)c([C@H]2c3c(n(C)c(=O)n(C)c3=O)N=C3c4ccccc4C(=O)[C@@H]32)c(C)c1 408733230 GQPIAHAIPXAFMM-RTBURBONSA-N 413.477 3.088 0 40 HGAB COc1cccc(/C=C2/SC(=O)N(CCc3ccccc3)C2=O)c1OCC(=O)O 409203717 XMKBTHPHEFBPKY-SFQUDFHCSA-N 413.451 3.438 0 40 HGAB COc1cc(OC)cc(C(=O)N2CCC3(CC2)CO[C@@H](CN2CCC[C@H](C)C2)C3)c1 585104887 VVCICVFJPCKLQH-PGRDOPGGSA-N 416.562 3.447 0 40 HGAB O=C(c1ccc(-n2cccc2)cc1)N1CC[C@H](Oc2ncc(Br)cn2)C1 606440799 DAGYNIARMPEQQG-KRWDZBQOSA-N 413.275 3.323 0 40 HGAB CCOc1cccc2c1OCCCCCNC(=O)CN(Cc1cncc(F)c1)C2 643574666 IJLPZAYAMGIZBW-UHFFFAOYSA-N 401.482 3.301 0 40 HGAB CCn1cncc1[C@@H]1CCCCN1C(=O)CNC(=O)c1ccc(C(F)(F)F)cc1 644595847 NBOHPJRXTYNTMF-INIZCTEOSA-N 408.424 3.405 0 40 HGAB CCn1nccc1C(=O)Nc1ccc2c(c1)[C@@H](NC(=O)c1ccnn1CC)CCC2 669667364 AAMSNRVRVSGMEW-SFHVURJKSA-N 406.490 3.179 0 40 HGAB CNC(=O)Cn1nc(NC(=O)Cc2csc(-c3ccc(C(C)C)cc3)n2)cc1C 678107503 XEBASVIKUYIIBN-UHFFFAOYSA-N 411.531 3.366 0 40 HGAB C[C@H]1CCc2c(sc3nc(CN4CC[C@]5(C4)C(=O)Nc4ccccc45)nc(N)c23)C1 681699365 SRIXZGOIQHDFSM-ZAMGYDSWSA-N 419.554 3.494 0 40 HGAB CCC(=O)NC1(c2nnnn2CCOC(=O)Nc2ccc(Cl)cc2)CCCCC1 869178 JFGHXTCHQOWBDH-UHFFFAOYSA-N 420.901 3.261 0 40 HGAB CCOC(=O)c1nnn2c1nc(Sc1nnc(-c3ccncc3)o1)c1ccccc12 1035668 KZGOTQBWAKRSSF-UHFFFAOYSA-N 419.426 3.050 0 40 HGAB CC(C)C[C@H](C(=O)OCC(=O)Nc1ccccc1F)N1C(=O)c2ccccc2C1=O 1916958 PHSSYXUQIVGPSL-GOSISDBHSA-N 412.417 3.018 0 40 HGAB CC[C@H](C)NC(=O)c1c(N)n(Cc2ccc3c(c2)OCO3)c2nc3ccccc3nc12 2258104 RKKYWZLPQUTGJX-ZDUSSCGKSA-N 417.469 3.472 0 40 HGAB CCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(F)c(F)c2F)C1=O 2627116 CBTZGBWFTUCOLK-FQEVSTJZSA-N 405.376 3.290 0 40 HGAB O=C(OCC(=O)N1CCC(Cc2ccccc2)CC1)c1cncc(Br)c1 3240588 MSQAIXJFTGQUBM-UHFFFAOYSA-N 417.303 3.482 0 40 HGAB CC(C)Cn1c(SCC(=O)c2ccc3c(c2)NC(=O)CO3)nc2ccccc2c1=O 3284729 WBGHOFDYQODBRA-UHFFFAOYSA-N 423.494 3.358 0 40 HGAB CCOC(=O)c1c(NC(=O)COC(=O)c2ccccn2)sc2c1CC[C@@H](C)C2 3337506 HDPBJTHMVARSOW-GFCCVEGCSA-N 402.472 3.240 0 40 HGAB C[C@@H]1CCCN(C(=O)COC(=O)CNC(=O)c2sc3ccccc3c2Cl)C1 4288324 BFTJPLMVCCCXAU-GFCCVEGCSA-N 408.907 3.086 0 40 HGAB COc1ccc(N2C[C@@H](NC(=O)NCc3ccc4[nH]c(C)cc4c3)CC2=O)cc1OC 4479845 UQLXHPIFOKQCQO-KRWDZBQOSA-N 422.485 3.098 0 40 HGAB COCCn1c(SCC(=O)Nc2nc(C)c(C)s2)nnc1-c1ccoc1C 4860680 CAXLUCPZGPRSTF-UHFFFAOYSA-N 407.521 3.297 0 40 HGAB C[C@H](Sc1nnc(-c2cccc(F)c2)n1N)C(=O)N[C@@H]1CCCc2ccccc21 4876723 OVXOMOWHRKDCKF-SCLBCKFNSA-N 411.506 3.472 0 40 HGAB COCCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1cccc(OCc2ccccc2)c1 5937314 RENNMRIXKRHVMY-HXUWFJFHSA-N 412.511 3.248 0 40 HGAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)c2ccc(N3CCCC3=O)cc2)c1 6054003 KWCYQBGSXUSHBI-UHFFFAOYSA-N 415.515 3.096 0 40 HGAB CCCOc1ccc([C@@H]2c3c(C)nn(C)c3NC(=O)[C@H]2NC(=O)c2ccccc2)cc1 6779666 LWQDOXCSRUTZOL-RTWAWAEBSA-N 418.497 3.400 0 40 HGAB CCN(CC(=O)Nc1ccc(OC)cc1)S(=O)(=O)c1ccc(C(F)(F)F)cc1 7217230 CXUSDZHUCFBJIN-UHFFFAOYSA-N 416.421 3.363 0 40 HGAB COc1cc(NC(=O)CN(c2ccccc2C)S(C)(=O)=O)c(OC)cc1Cl 7523544 VNUQQGAWYDVJFL-UHFFFAOYSA-N 412.895 3.070 0 40 HGAB O=C(COc1ccc2c(c1)CCC2)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 7769291 NHXORWBFQYJRJW-UHFFFAOYSA-N 414.527 3.367 0 40 HGAB O=c1[nH]c(Cn2cc(C(F)(F)F)cc(Cl)c2=O)nc2sc3c(c12)CCC3 7985889 RKXDLHDVNVMROX-UHFFFAOYSA-N 401.797 3.356 0 40 HGAB COc1ccc([C@@H]2NC(=O)N(C)[C@@](O)(C(F)(F)F)[C@H]2C(=O)c2ccccc2)cc1 7986598 NNPDITMUQOSOIH-GJYPPUQNSA-N 408.376 3.141 0 40 HGAB CCOC(=O)c1ccc(S(=O)(=O)N(Cc2cccs2)C[C@H]2CCCO2)cc1 8059701 ADKFPWHXNIFWIX-MRXNPFEDSA-N 409.529 3.295 0 40 HGAB O=C(/C=C/c1ccc(-n2ccnc2)cc1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 8136355 GGECFDKLGOEMKY-JXMROGBWSA-N 413.481 3.392 0 40 HGAB Cc1nnc(SCC(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)n1Cc1ccccc1 8936527 MJWYKASDGFDRRV-CYBMUJFWSA-N 423.498 3.085 0 40 HGAB O=C(Cn1c(=O)n(Cc2cccnc2)c(=O)c2ncccc21)c1ccc2ccccc2c1 9001214 FWBFKMIGDRWLBM-UHFFFAOYSA-N 422.444 3.038 0 40 HGAB CCOc1ccc(C(=O)CCC(=O)OCC(=O)Nc2ccc(OC)cc2OC)cc1 9385563 HZAGFAKTDRBSFB-UHFFFAOYSA-N 415.442 3.247 0 40 HGAB CCCn1c(S[C@@H](C)C(=O)NC[C@@H]2CCCO2)nc2cc(Cl)ccc2c1=O 9398835 CCEYCDUPPKQQPS-JSGCOSHPSA-N 409.939 3.236 0 40 HGAB Cc1ccccc1Cn1c(=O)c2c(nc3n2C[C@@H](C)CN3C2CCCCC2)n(C)c1=O 9519148 IOWCPNJSLHSVSR-INIZCTEOSA-N 421.545 3.042 0 40 HGAB O=C(NCC(=O)N1CCC(C(=O)N2CCCCCC2)CC1)c1ccc2ccccc2c1 9585460 WHMKIDLDWYIOHH-UHFFFAOYSA-N 421.541 3.211 0 40 HGAB C[C@@H](Sc1nnc(-c2cc3c(s2)CC[C@@H](C(C)(C)C)C3)n1C)C(=O)NC(N)=O 9944404 RGMPSLVHFMCZRO-ZYHUDNBSSA-N 421.592 3.370 0 40 HGAB COc1ccc(N([C@H](C)C(=O)NCCCc2ccccc2)S(C)(=O)=O)cc1Cl 10110322 WJIOVOZKMYTZLI-OAHLLOKOSA-N 424.950 3.252 0 40 HGAB COc1ccc(NC(=O)CSc2nccn(-c3cccc(F)c3)c2=O)c(OC)c1 10272985 BOANUBQRYJXOTP-UHFFFAOYSA-N 415.446 3.120 0 40 HGAB COC(=O)c1cccc(NC(=O)[C@@H](C)N(c2cc(C)ccc2C)S(C)(=O)=O)c1C 10329067 VAYBNKNMIRLDFT-MRXNPFEDSA-N 418.515 3.192 0 40 HGAB CCN1CCC[C@H]1CNC(=O)c1nc(-c2cc(OC)c(OC)c(OC)c2)sc1C 11691876 YYMRPVBDWHLUOB-HNNXBMFYSA-N 419.547 3.358 0 40 HGAB COc1ccc(S(=O)(=O)Nc2nc(C(=O)Nc3cccc(OC)c3)cs2)cc1 11693251 AMTKBDCDGFUWFX-UHFFFAOYSA-N 419.484 3.213 0 40 HGAB COc1ccc(C(C)C)cc1S(=O)(=O)NC[C@@H](c1ccc2c(c1)OCO2)N(C)C 12220480 AMDVNNHQBNXYKM-KRWDZBQOSA-N 420.531 3.129 0 40 HGAB CC[C@@H]1Oc2ccc([C@H](O)c3ccco3)cc2N(CC(=O)NCc2ccccc2)C1=O 12233506 PQUMFDRRMWJFBX-CVDCTZTESA-N 420.465 3.182 0 40 HGAB O=C1CN(C(=O)c2ccccc2S(=O)(=O)Cc2ccccc2)c2ccccc2N1 12376566 MNZWCYODAQNCJW-UHFFFAOYSA-N 406.463 3.259 0 40 HGAB C[C@@H](OC(=O)[C@@]12CCC(=O)N1c1ccccc1S2)C(=O)Nc1ccc(F)cc1 12748776 VLSLJXKCSXGJIE-ODXCJYRJSA-N 400.431 3.325 0 40 HGAB CCN(CC(=O)Nc1ccc2c(c1)OCCCO2)CC(=O)Nc1c(F)cccc1F 12780371 SUZFDCKZYIHPNY-UHFFFAOYSA-N 419.428 3.025 0 40 HGAB O=C(c1cccc(F)c1)N1CCCN(Cc2nc3ccc(Cl)cc3c(=O)[nH]2)CC1 12915601 HCRGVDRXTXTNPA-UHFFFAOYSA-N 414.868 3.064 0 40 HGAB CS(=O)(=O)NCCc1ccc(C(=O)NCCSc2ccc(Cl)cc2)s1 13012720 ROWUBYHAEGKGQR-UHFFFAOYSA-N 418.993 3.015 0 40 HGAB C[C@H](NC(=O)CN(C)S(=O)(=O)c1cccs1)c1ccc(Br)cc1 14198451 YBWKVTLZYGAMBP-NSHDSACASA-N 417.350 3.009 0 40 HGAB COc1ccc(CN2CCN(S(=O)(=O)c3c(C)c(C)cc(C)c3C)CC2)cc1 17082534 QSCIWQSJWVFLBC-UHFFFAOYSA-N 402.560 3.435 0 40 HGAB CCN(Cc1cccs1)C(=O)c1ccc(OC)c(S(=O)(=O)N2CCCC2)c1 17802362 QOBJOTQQBQXQLN-UHFFFAOYSA-N 408.545 3.204 0 40 HGAB Cc1cc(C)n(-c2nc(C(=O)NCc3cccc(OC[C@H]4CCCO4)c3)cs2)n1 19116475 HKNNLARTDXCFIP-GOSISDBHSA-N 412.515 3.433 0 40 HGAB O=CNc1ccc2c(c1)N(C(=O)CCN1CCN3CCC[C@@H]3C1)c1ccccc1CC2 19363059 AIAKWXSQLVHIPC-JOCHJYFZSA-N 418.541 3.188 0 40 HGAB CCN(CC)C(=O)c1c[nH]nc1C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 19526266 YTOUWQSPEWJDJL-UHFFFAOYSA-N 424.954 3.113 0 40 HGAB CCNC(=O)[C@]1(Cc2cccc(-c3ccccc3)c2)CCCN(C(=O)c2nc[nH]n2)C1 19528725 JUCGNULKXMMEMI-DEOSSOPVSA-N 417.513 3.073 0 40 HGAB COc1cccc(C(=O)N2CCNC(=O)[C@H](Cc3ccccc3-c3ccncc3)C2)c1 19564663 MQMYJGFWMDQMAC-OAQYLSRUSA-N 415.493 3.188 0 40 HGAB C[C@H](NC(=O)Cn1cc(NC(=O)c2ccc(F)cc2)cn1)c1nc2ccccc2[nH]1 19749476 NLJYRSHOXIATPI-ZDUSSCGKSA-N 406.421 3.028 0 40 HGAB Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(F)c(C(F)(F)F)c2)cc1 20010651 LLHROFUAZRABKM-UHFFFAOYSA-N 404.385 3.412 0 40 HGAB COCCCNc1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CCCC3 20051663 FZAQRIVSRLINRR-UHFFFAOYSA-N 413.547 3.403 0 40 HGAB CCOC(=O)c1ccc(NC(=O)CN(c2ccc(C)cc2)S(C)(=O)=O)cc1Cl 20461091 AMOIXBMOQSWHOB-UHFFFAOYSA-N 424.906 3.230 0 40 HGAB COc1ccc2nc(N(CCN3CCOCC3)C(=O)Cc3ccccc3)sc2c1 22998448 XHHXFDPIZINJRM-UHFFFAOYSA-N 411.527 3.213 0 40 HGAB Cc1noc(-c2ccc(C(=O)N3CCC(NC(=O)c4ccc(F)cc4)CC3)cc2)n1 25217490 XYTCXKDTCVOWMO-UHFFFAOYSA-N 408.433 3.219 0 40 HGAB COc1ccc(C(=O)N[C@H](C(=O)c2ccccc2)S(=O)(=O)c2ccccc2)cc1 27016136 VFQINABXNBLYHI-QFIPXVFZSA-N 409.463 3.108 0 40 HGAB Cc1cc2oc(C(=O)NC[C@@H](c3ccccc3)N3CCOCC3)cc(=O)c2cc1C 28289773 JZGGOQMYJXWIGX-FQEVSTJZSA-N 406.482 3.213 0 40 HGAB Cc1sc2nc(COC(=O)Cc3cc(Cl)c4c(c3)OCCO4)[nH]c(=O)c2c1C 32850674 HHLNZJAEVWPEAM-UHFFFAOYSA-N 420.874 3.312 0 40 HGAB COc1ccc(-n2c(SCc3nc(C)no3)nc3ccccc3c2=O)cc1OC 32895115 XKUUGAOOWORMLO-UHFFFAOYSA-N 410.455 3.387 0 40 HGAB O=C(NCCc1c[nH]c2ccccc12)c1nnn2c1nc(O)c1cc(Cl)ccc12 33435958 VULJBWJLZWSJNQ-UHFFFAOYSA-N 406.833 3.090 0 40 HGAB COc1ccccc1-n1c(SCC(=O)N2CCCCC2)nnc1-c1ccncc1 35313025 YHQDCALZNYGNSS-UHFFFAOYSA-N 409.515 3.443 0 40 HGAB O=C1CSc2sc3c(=O)n(C[C@H](c4cccs4)N4CCCC4)cnc3c2N1 35671682 DTENPQCTFQWBDH-LLVKDONJSA-N 418.569 3.401 0 40 HGAB CCOc1ccc(NC(=O)[C@@H]2CCN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cc1 38834385 VOPOYEOKGGRURR-SFHVURJKSA-N 424.906 3.295 0 40 HGAB CN(C)[C@H](CNC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1)c1cccs1 40103702 KNNCLEPVEIXMSL-CYBMUJFWSA-N 403.476 3.169 0 40 HGAB O=C1C[C@@H](C(=O)Nc2ccccc2Cl)c2c(nc(Nc3ccccc3)[nH]c2=O)N1 40267231 YVUQAQDNLYXGAZ-GFCCVEGCSA-N 409.833 3.231 0 40 HGAB O=C(CCCC(=O)N1CCN(c2nsc3ccccc23)CC1)Nc1ccccn1 40285416 LWAVTXRPIZFAON-UHFFFAOYSA-N 409.515 3.149 0 40 HGAB CN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)Nc1cccc(C(F)(F)F)c1 40286368 UPRJGRVYDRXRSR-LJQANCHMSA-N 403.360 3.253 0 40 HGAB CN(C)[C@@H](CNC(=O)[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1)c1ccco1 44514947 HIYYAWKLQNEKLU-CJNGLKHVSA-N 409.408 3.070 0 40 HGAB O=C1C[C@@H](C(=O)N(Cc2ccccc2)c2ccccn2)CN1c1ccc2c(c1)OCO2 48354218 BJSBONYHUXWJOO-GOSISDBHSA-N 415.449 3.397 0 40 HGAB COc1ccc(NC(=O)[C@H]2C[C@@H]2c2cccnc2)cc1S(=O)(=O)N1CCCCC1 58134854 WGIJORUTGCISHH-MSOLQXFVSA-N 415.515 3.007 0 40 HGAB Cc1cc(-c2cnc(NC(C)C)nc2C2CCN(C(=O)c3cn(C)nc3C)CC2)on1 72337699 BONAHCFXUGVXKI-UHFFFAOYSA-N 423.521 3.322 0 40 HGAB COc1ccc(N2C[C@H](C(=O)Nc3nnc(C4CCCC4)s3)CC2=O)c(OC)c1 72403726 NCNBWQHPVMDSJR-CYBMUJFWSA-N 416.503 3.205 0 40 HGAB COc1ccc(/C=C/C(=O)N2CC(S(=O)(=O)c3ccc(Cl)cc3)C2)cc1OC 96122153 HQGSMEKIAPLRBA-ONNFQVAWSA-N 421.902 3.055 0 40 HGAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1/C=C1/C(=O)Nc2cc(Cl)ccc21 96766575 VRTTXABGLZHQFF-LLUUXILJSA-N 412.298 3.351 0 40 HGAB CC(=O)Nc1cccc(C(=O)NCCN2C(=O)S/C(=C/c3ccccc3)C2=O)c1 97985874 GHUFOVVSYCWEIY-LDADJPATSA-N 409.467 3.111 0 40 HGAB COc1cccc(C(=O)COc2ccc(NC(=O)[C@H]3[C@@H]4C[C@H]5OC(=O)[C@H]3[C@H]5C4)cc2)c1 100646771 TXGRDFVGIGWWOK-VLNSVQMVSA-N 421.449 3.093 0 40 HGAB CN(C)S(=O)(=O)c1ccc(-c2csc(NC(=O)[C@H]3C[C@H]4CC[C@H]3C4)n2)cc1 106093866 FKFQXYPSFSNEQB-NOLJZWGESA-N 405.545 3.435 0 40 HGAB CC[C@@H](C(=O)NCCCN(C)c1ccccc1)N(c1cccc(C)c1)S(C)(=O)=O 220527798 OUHQJMMBGGTXQZ-NRFANRHFSA-N 417.575 3.182 0 40 HGAB CSc1ccc(S(=O)(=O)NCCCN2CCc3ccccc32)cc1NC(C)=O 222580449 OZZAVAUSSBKZAM-UHFFFAOYSA-N 419.572 3.098 0 40 HGAB COC(=O)c1cc(S(=O)(=O)NCc2ccc(-n3ccnc3C)cc2)ccc1Cl 223861644 BBULZUDHRFEXID-UHFFFAOYSA-N 419.890 3.099 0 40 HGAB COc1ccccc1[C@@H](C)NC(=O)CN(c1cccc2ccccc12)S(C)(=O)=O 224037220 LXJQHDJYXZBDGG-MRXNPFEDSA-N 412.511 3.492 0 40 HGAB CC[C@@H](C(=O)NCCOc1ccccc1)N(c1ccc(Cl)cc1)S(C)(=O)=O 224306111 SZAGPNLYSPITDT-SFHVURJKSA-N 410.923 3.080 0 40 HGAB CS(=O)(=O)Nc1ccc(Cl)c(C(=O)NCCOc2ccccc2Cl)c1 224396470 WDYGLTYTGQSAHE-UHFFFAOYSA-N 403.287 3.174 0 40 HGAB COc1cc2c(cc1S(=O)(=O)NCc1cccc(N3CCCC3=O)c1)CCCC2 224955117 WBOGKFOZVKIVTF-UHFFFAOYSA-N 414.527 3.179 0 40 HGAB COc1ccc(CN(C(=O)COc2ccc(OC)cc2)[C@@H](C)C(=O)NC(C)C)cc1 225666573 IRAIAKHXBRGZOA-KRWDZBQOSA-N 414.502 3.025 0 40 HGAB CC(C)n1c(=O)sc2cc(S(=O)(=O)NCCCN3CCCCCC3)ccc21 225709873 QRAYMTJFCHZQNE-UHFFFAOYSA-N 411.593 3.188 0 40 HGAB Cc1noc(CN2CCC(N3CCN(c4cccc(C(F)(F)F)c4)CC3)CC2)n1 245060696 PWOFFHGREPNTIY-UHFFFAOYSA-N 409.456 3.183 0 40 HGAB CCOC(=O)[C@]1(C)N[C@H](c2ccccc2C)[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@H]21 245230026 KIGAHMOFTZZRJP-ZBNTXBBCSA-N 406.482 3.075 0 40 HGAB CN(Cc1ccc(OCc2nccn2C)cc1)C[C@H](O)Cn1ccc2ccccc21 257233508 GPOZASHGLJDGQA-NRFANRHFSA-N 404.514 3.447 0 40 HGAB COc1cccc(N([C@H](C)C(=O)Nc2ccc(N3CCCC3)cc2)S(C)(=O)=O)c1 260895205 IZZVNRMBKBVDOR-MRXNPFEDSA-N 417.531 3.089 0 40 HGAB O=C(c1cnccn1)N1CCC2(CC1)Oc1ccccc1-c1ncn(CC3CC3)c12 306126750 FEFPIQQBXJLXPO-UHFFFAOYSA-N 401.470 3.274 0 40 HGAB CS(=O)(=O)N(CCCC(=O)Nc1ccccc1Cl)c1ccc2c(c1)OCO2 408704986 WRNSRUBVOPYDEJ-UHFFFAOYSA-N 410.879 3.254 0 40 HGAB Cc1cccc(CSCCNC(=O)CN(c2ccccc2C)S(C)(=O)=O)c1 408926073 OBRDLOOKLTYBGE-UHFFFAOYSA-N 406.573 3.119 0 40 HGAB CCn1c(CNC(=O)c2ccccc2C)nnc1SCC(=O)Nc1ccccc1 409060615 VJJGKWXUKBCYRG-UHFFFAOYSA-N 409.515 3.267 0 40 HGAB CCOc1cc(/C=C2\SC(=O)N(CC)C2=O)ccc1OCC(=O)N1CCCC1 409357001 HXTGRGWHYLDSKO-ATVHPVEESA-N 404.488 3.143 0 40 HGAB CS(=O)(=O)Cc1ccc(C(=O)NC2(c3ccc(Br)cc3)CCC2)o1 508968779 LLEPOCNXNLCXAR-UHFFFAOYSA-N 412.305 3.396 0 40 HGAB FC(F)(F)c1ccc(-c2noc(CN3CCn4c(nnc4C(F)(F)F)C3)n2)cc1 580008430 KNJKGXJSSWMMGN-UHFFFAOYSA-N 418.301 3.382 0 40 HGAB Cc1ccc2c(c1)Cc1cccc(c1)CN(C(=O)c1ccnn1C)CCOCCO2 643572506 GQNVIEKCTXRVQG-UHFFFAOYSA-N 405.498 3.371 0 40 HGAB O=C(Nc1cccc(C[S@](=O)Cc2ccccc2)c1)c1ccnc2[nH]c(O)nc12 1633615724 DYZSTWMJQOBQJA-GDLZYMKVSA-N 406.467 3.365 0 40 HGAB Cc1cc(OC[C@@]2(O)CCCN(C(=O)CCN3CCCC3=O)CC2)cc(C)c1Cl 2037912740 XRNPDCIYRYKGHT-JOCHJYFZSA-N 422.953 3.092 0 40 HGAB COc1cc2cc(C)c3nnc(SCC(=O)NC4CCCC4)n3c2cc1OC 877314 AGFQDNAFWKJZJV-UHFFFAOYSA-N 400.504 3.359 0 40 HGAB Cn1ccnc1SCC(=O)Nc1ncc(Br)cc1Br 1087431 VHVXFPYOIJZSEK-UHFFFAOYSA-N 406.103 3.071 0 40 HGAB COc1ccc(C)cc1N(CC(=O)NCC(C)C)S(=O)(=O)c1ccc(C)cc1 2072343 QGRBIFWEBCNILZ-UHFFFAOYSA-N 404.532 3.280 0 40 HGAB CC(C)Cn1nnc(NC(=S)NC(=O)c2cccc(OCc3ccccc3)c2)n1 2352242 FQABLRDPKAGWNA-UHFFFAOYSA-N 410.503 3.035 0 40 HGAB Cc1ccc(-c2nnc(SCC(=O)Nc3ncc(Cl)cc3Cl)n2N)cc1 3312449 BKUAKACDUVACHT-UHFFFAOYSA-N 409.302 3.400 0 40 HGAB CC(=O)N[C@H](CC(=O)OCc1cc(=O)n2c(n1)sc1ccccc12)c1ccccc1 3350451 IVOLPPKCRGQOFY-QGZVFWFLSA-N 421.478 3.220 0 40 HGAB Cc1cc(C)cc(C(=O)NCC(=O)OCC(=O)c2cc(C)n(CC(F)(F)F)c2C)c1 3424183 VDGGPBFZTFQEET-UHFFFAOYSA-N 424.419 3.440 0 40 HGAB Cc1ccc(C)c(-n2nnnc2S[C@H](C)C(=O)Nc2ccc3c(c2)OCCO3)c1 3445475 YDNPUIJDRZMUOM-CQSZACIVSA-N 411.487 3.170 0 40 HGAB C[C@@H](CCc1ccccc1)NC(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN12 3454976 ATWXTNJCXDKFCM-AWEZNQCLSA-N 415.540 3.049 0 40 HGAB CCOCCCn1c(SCc2ccc(C(=O)OC)o2)nc2ccccc2c1=O 3500280 ZRXMSJFOCARRCR-UHFFFAOYSA-N 402.472 3.495 0 40 HGAB C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@H]2C(=O)C[C@@]2(C)[C@@H]1CC[C@@]21OCO[C@@]12COCO2 3882024 ZQDVAXPMAQYWLD-WDJPIRFISA-N 404.503 3.221 0 40 HGAB biogenic CC[C@H](c1nnnn1CCOC)N(Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCC1 4847483 YXSYKQYNDJUNJK-OAQYLSRUSA-N 424.549 3.365 0 40 HGAB O=C(NC1CCCC1)[C@@H](c1cccnc1)N(Cc1ccccc1)C(=O)c1csnn1 4858788 ZDZDNGCSGXGZMZ-HXUWFJFHSA-N 421.526 3.376 0 40 HGAB COc1ccc(CC(=O)Nc2ccc(-c3ccc(N4CCOCC4)nn3)cc2)cc1 5259320 IFYXFMZPRRXZJV-UHFFFAOYSA-N 404.470 3.170 0 40 HGAB NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1OCc1cccc2ccccc12 5263882 MIYRAVMWJABBAZ-UHFFFAOYSA-N 410.495 3.302 0 40 HGAB Cc1csc(SCc2ccccc2C(=O)O[C@H](C(=O)NC(N)=O)C(C)C)n1 5426699 XVXGBJNXTIEMRW-AWEZNQCLSA-N 407.517 3.120 0 40 HGAB O=C(NC(=S)Nc1cccc(S(=O)(=O)NCc2ccco2)c1)C1CCCCC1 5559325 VLIIKUYLFPSFKK-UHFFFAOYSA-N 421.544 3.151 0 40 HGAB Cc1c(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)c(=O)n(-c2ccccc2)n1C 7052126 AAXQMIBECKNBOG-UHFFFAOYSA-N 411.405 3.304 0 40 HGAB COc1ccc(-n2ccnc2S[C@H](C)C(=O)Nc2sccc2C(N)=O)cc1 7178422 PCIYDQUUHKXNSO-LLVKDONJSA-N 402.501 3.161 0 40 HGAB Cn1nc(CC(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)c2ccccc2c1=O 7313153 ZENNUVSFRRHRIF-OAHLLOKOSA-N 418.522 3.492 0 40 HGAB CN(c1ccc(-c2csc(CC(=O)NCc3ccccc3)n2)cc1)S(C)(=O)=O 8103480 GEIYXJRIZVUBIP-UHFFFAOYSA-N 415.540 3.065 0 40 HGAB CC(C)[C@@H](NC(=O)Cn1cnc2ccccc2c1=O)c1ccc2c(c1)OCCCO2 8152597 SFFUXXYPKRJHEX-JOCHJYFZSA-N 407.470 3.071 0 40 HGAB O=S(=O)(c1ccc(Nc2ccc(N3CCCCCC3)cc2)nc1)N1CCOCC1 8161357 HUMMBEYKBXOKDF-UHFFFAOYSA-N 416.547 3.227 0 40 HGAB COc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NCc3ccco3)c2)cc1 8180808 ZUTQOWABKUUSDX-UHFFFAOYSA-N 400.456 3.327 0 40 HGAB CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)c2cc(Cl)c3c(c2)OCO3)cc1 8306079 OQTAULHTVRKBAV-UHFFFAOYSA-N 410.879 3.350 0 40 HGAB O=C(CN1CCC[C@H]1c1ccc2c(c1)OCCCO2)NCc1ccc2c(c1)OCO2 8310347 IINPMNIWOVOHMW-SFHVURJKSA-N 410.470 3.030 0 40 HGAB COCCNC(=O)c1ccccc1NC(=O)C1CCN(Cc2ccccc2C)CC1 9062571 WODLAOMTJFYHIG-UHFFFAOYSA-N 409.530 3.222 0 40 HGAB CC/C(Nc1ccc(OC)cc1OC)=C1/C(=O)NC(=O)N(Cc2ccccc2)C1=O 9090129 XHXJQIDRPLQSOF-KNTRCKAVSA-N 409.442 3.058 0 40 HGAB COc1ccc(CNC(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)cc1OC 9398136 QYWNETMVXYYICD-UHFFFAOYSA-N 420.421 3.023 0 40 HGAB COc1ccc(CNC(=O)[C@H]2CCCN(C(=O)Cc3c[nH]c4ccccc34)C2)cc1 9575902 GZGXJLLXLBDLGW-SFHVURJKSA-N 405.498 3.274 0 40 HGAB COc1ccc(-c2ccc(=O)n(CCNC(=O)c3ccc(C(F)(F)F)cc3)n2)cc1 9660847 FIVHOTZIPOLQFF-UHFFFAOYSA-N 417.387 3.368 0 40 HGAB O=C(CCCNS(=O)(=O)c1cccc(C(F)(F)F)c1)NCc1ccccc1 9742595 JDOZMWWPQJUNDJ-UHFFFAOYSA-N 400.422 3.080 0 40 HGAB Cc1ccc(C(=O)Nc2ccccc2C(=O)NCC(C)C)cc1NS(C)(=O)=O 10370755 LUXAPBABSJFOLB-UHFFFAOYSA-N 403.504 3.005 0 40 HGAB CCN(CC(=O)NCc1ccc(Cl)cc1)C(=O)CCc1ccc2c(c1)OCO2 10446384 BSQFQZBPIDIUEO-UHFFFAOYSA-N 402.878 3.166 0 40 HGAB COc1ccc(OC[C@H](C)NC(=O)c2ccc(I)cc2)cc1 10542557 HAODIIXPEMUPRO-LBPRGKRZSA-N 411.239 3.497 0 40 HGAB CCOc1ccc(NC(=O)CN2CCN(c3nccn3-c3ccccc3F)CC2)cc1 11695776 RDTYQHJFYWRZNL-UHFFFAOYSA-N 423.492 3.171 0 40 HGAB O=C(Cc1cc(F)ccc1F)N1CCC[C@@H](c2nc(O)cc(-c3ccncc3)n2)C1 12257029 JDOHKSSXSNBQNC-OAHLLOKOSA-N 410.424 3.471 0 40 HGAB Cc1nc(-c2cc(C(=O)Nc3ccc(N4CCCS4(=O)=O)cc3)n(C)c2)cs1 12263002 WZFOQMLEWYOFPU-UHFFFAOYSA-N 416.528 3.249 0 40 HGAB CNS(=O)(=O)c1ccc(NS(=O)(=O)c2ccccc2-c2ccccc2)cc1 12521292 HCHVLKNHJGJONW-UHFFFAOYSA-N 402.497 3.063 0 40 HGAB Cc1cc(S(=O)(=O)Nc2ccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)ccc1F 12521335 VQIWMQZGQCFWCH-HUUCEWRRSA-N 406.479 3.184 0 40 HGAB COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)/C=C/c1cc(F)cc2c1OCOC2 12992412 SVIFVSZFCRANPX-YJJPMGAVSA-N 424.428 3.087 0 40 HGAB Cc1cc(C(=O)O)cc(S(=O)(=O)N[C@@H](CC(=O)O)c2ccc(Cl)cc2)c1C 13078840 IEPSRQDUYLKOJQ-HNNXBMFYSA-N 411.863 3.149 0 40 HGAB CC(=O)OC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccn3)C(=O)[C@@H]12 13214556 RNLFYMBCRTUCSB-YCIYHOANSA-N 410.429 3.153 0 40 HGAB Cc1cc(C)n(CCCC(=O)N2CCC[C@@H](c3nc4ccccc4cc3C(N)=O)C2)n1 13225393 CQJOGMNFQWWBDX-LJQANCHMSA-N 419.529 3.333 0 40 HGAB NC(=O)C1CCN(c2ccc3cccc(OCC(=O)Nc4cccc(F)c4)c3n2)CC1 17170651 WDYKQVHUXFZAQE-UHFFFAOYSA-N 422.460 3.093 0 40 HGAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2cc(C(C)(C)C)n3ncnc3n2)c1 19083868 GYFZMTZWBSFEGZ-KRWDZBQOSA-N 409.490 3.416 0 40 HGAB CC[C@@H](CN1CCN(C)CC1)NC(=O)Cc1sc(C)nc1-c1ccc(C)c(C)c1 19500309 OPAJQCVBEKXAAE-FQEVSTJZSA-N 414.619 3.420 0 40 HGAB CCC[C@]1(C(=O)OCC)N[C@H](c2ccccc2F)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 19502067 BMJHXWPMQWXXQF-SMOZNVCYSA-N 424.472 3.378 0 40 HGAB Cc1nc(N(C)C)ncc1C(=O)N[C@@H](Cc1ccccc1)c1ccc2c(c1)OCCO2 19552750 NXSLFWQDTXLFMP-FQEVSTJZSA-N 418.497 3.336 0 40 HGAB COc1ccc(CC(=O)N[C@@H](C)c2nc3cc(-c4ccccc4F)ncn3n2)cc1 19574527 JQGSABJLTOIUOH-AWEZNQCLSA-N 405.433 3.359 0 40 HGAB CC(=O)N1CCC[C@H]1c1nc(CN(C)Cc2cccc3cccnc23)cc(N(C)C)n1 19709799 UAXMAWZHFHDFDM-NRFANRHFSA-N 418.545 3.406 0 40 HGAB COCC(=O)N1CCC[C@H]1c1nc(C)c2c(n1)N(CCCc1ccccc1)C(=O)CC2 19740396 JYSZPHGOWOAJEB-FQEVSTJZSA-N 422.529 3.007 0 40 HGAB CC(C)CNC(=O)c1cc([C@H]2CCN(C(=O)c3cccnc3N)C2)nc2ccccc12 19761580 YFVHZOJXININJI-INIZCTEOSA-N 417.513 3.228 0 40 HGAB O=C1C(Cl)=C(N2CCN(Cc3ccccc3)CC2)C(=O)N1c1ccccc1Cl 19792814 BAWXSSYHCPZZRF-UHFFFAOYSA-N 416.308 3.481 0 40 HGAB CCc1c(C(=O)Nc2cccc(C(=O)OC)c2)nnn1-c1ccc(OC(F)F)cc1 19911071 HXXOBZFOTHGABV-UHFFFAOYSA-N 416.384 3.470 0 40 HGAB COc1ccccc1CN(C)C(=O)CN(c1ccc(Cl)cc1C)S(C)(=O)=O 20039723 FDHSTXFNXNYPCM-UHFFFAOYSA-N 410.923 3.082 0 40 HGAB CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)CN1CCN(CC)CC1 20449576 FGGOZFNBTCUQKA-UHFFFAOYSA-N 401.532 3.168 0 40 HGAB COc1ccc(S(=O)(=O)N[C@H](C)c2ccc(F)cc2)cc1C(=O)N1CCCC1 20459057 CKUACWRJMAXGSX-CQSZACIVSA-N 406.479 3.110 0 40 HGAB COCc1nnc(NC(=O)COc2ccccc2-c2nc(-c3ccccc3)no2)s1 21524665 LLJFGWGNHIKCGG-UHFFFAOYSA-N 423.454 3.419 0 40 HGAB O=C(Nc1ncccc1O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 22263485 VRJPKHDEYRYKGB-UHFFFAOYSA-N 409.895 3.258 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N[C@@H](C)c2ccc(F)cc2)c(C)c1 22537415 ZSDYCSHJXSUWAF-INIZCTEOSA-N 422.522 3.421 0 40 HGAB Cc1cccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)n1 28194569 RHLCKYLSGAGYSE-UHFFFAOYSA-N 413.543 3.308 0 40 HGAB CCOC(=O)N1CCN(C(=O)Cc2csc(COc3ccc(Cl)cc3)n2)CC1 29646697 YAQGTXHCDUPWNE-UHFFFAOYSA-N 423.922 3.219 0 40 HGAB O=C(COc1ccc(F)c(Cl)c1)N1CCN(C(=O)c2cccc(Cl)c2)CC1 32759298 GABYOLUNJORUFU-UHFFFAOYSA-N 411.260 3.496 0 40 HGAB Cc1nn(C)c(Cl)c1C(=O)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 32881934 IYMSGKXVPIAIRZ-UHFFFAOYSA-N 401.820 3.148 0 40 HGAB O=C1C[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(OC(F)F)c(Cc2ccccc2)c1 32912746 VWGSRQVXKWYZON-NVXWUHKLSA-N 407.438 3.029 0 40 HGAB Cc1nc2cc(NC(=O)Cn3cnc4ccc(Br)cc4c3=O)ccc2o1 32930041 FAXZPASYNWLCMK-UHFFFAOYSA-N 413.231 3.247 0 40 HGAB COc1ccc(OCc2nnc(SCC[S@@](=O)c3ccccc3)n2C)cc1 32931535 CMQIGHWQUYTOCX-MHZLTWQESA-N 403.529 3.303 0 40 HGAB CCOc1ccc(NC(C)=O)cc1S(=O)(=O)NCc1nc2ccccc2s1 33047897 RNZHMYCVILRQKO-UHFFFAOYSA-N 405.501 3.132 0 40 HGAB Cc1cc(SCC(=O)NN2C(=O)N[C@@](C)(c3ccccc3)C2=O)nc2ccccc12 33685083 FUNWTEASRKLZCZ-QFIPXVFZSA-N 420.494 3.134 0 40 HGAB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NC(C)C)cc1Cl 33717118 VLMRQOGDJNDJDR-UHFFFAOYSA-N 424.950 3.107 0 40 HGAB O=C(/C=C\c1ccccc1)Nc1c2c(nn1CC(=O)NCc1ccco1)CSC2 35127753 LLSNABDTZRLKJE-HJWRWDBZSA-N 408.483 3.191 0 40 HGAB COc1ccccc1-c1n[nH]c(NC(=O)[C@H]2CCCN(C(=O)c3cccs3)C2)n1 40088561 NEMIFEDIMWOWBL-ZDUSSCGKSA-N 411.487 3.033 0 40 HGAB Cc1ccc(S(=O)(=O)NC[C@H](c2ccsc2)N(C)C)c(Br)c1 45809539 YOSNYRLKJLHUIQ-CQSZACIVSA-N 403.367 3.400 0 40 HGAB NS(=O)(=O)c1ccc(CCNC(=O)c2cccc(Oc3ccccc3)c2)s1 45856821 VOZIIWOSMKRBKA-UHFFFAOYSA-N 402.497 3.160 0 40 HGAB CC(C)Cn1c(=O)c2sccc2n(CC(=O)Nc2ccc(Cl)cc2F)c1=O 57486062 HHACBZMRRIYXBP-UHFFFAOYSA-N 409.870 3.312 0 40 HGAB Cc1ccc(-c2nc(C)sc2CC(=O)N(C2CC2)[C@H]2CCS(=O)(=O)C2)cc1 57811785 MJJROJKRMLNEES-KRWDZBQOSA-N 404.557 3.148 0 40 HGAB O=C(NCc1ccc(-n2ccnc2)cc1)C1CCN(C(=O)/C=C/c2ccccc2)CC1 58005577 MLGNRTNQQVGKAE-DHZHZOJOSA-N 414.509 3.441 0 40 HGAB O=C(CNC(=O)[C@@H](NC(=O)c1ccccc1)c1ccccc1)Nc1ccc(F)cc1 64498641 PRQKRAAETHESKG-NRFANRHFSA-N 405.429 3.052 0 40 HGAB COc1ccc(CCNC(=O)c2n[nH]nc2Nc2ccc(Cl)cc2)cc1OC 67283672 QHXLZEAROYNNRO-UHFFFAOYSA-N 401.854 3.191 0 40 HGAB Nc1nc(N2CCC(Cc3ccccc3)CC2)ncc1S(=O)(=O)c1ccccc1 67336197 XTUAHMPUKUBNKQ-UHFFFAOYSA-N 408.527 3.351 0 40 HGAB C[C@@H](C(=O)N1CCC2(CC1)C[C@@]1(CO2)NC(=O)c2ccccc2N1)c1ccccc1 72325239 ZAOPVGLSKIYUJD-OSPHWJPCSA-N 405.498 3.123 0 40 HGAB COc1ccc(C)cc1C(=O)CCC(=O)N1CCC[C@H](c2n[nH]c3nccnc23)C1 72393876 CYEATBYGWDOFCL-HNNXBMFYSA-N 407.474 3.039 0 40 HGAB COc1ccc(NC(=O)[C@H]2CCCN(c3ccc(-c4nc(C)no4)cn3)C2)cc1F 77100771 ISVRCLSYOLYKEU-HNNXBMFYSA-N 411.437 3.443 0 40 HGAB COc1ccc(-c2cc(N3CCC(C(=O)Nc4nnc(C)s4)CC3)ncn2)cc1 77191867 WYZWDAKVCKUJDK-UHFFFAOYSA-N 410.503 3.167 0 40 HGAB O=C(Cn1cc(Br)cn1)Nc1ccc2c(c1)C(O)=Nc1cccnc1O2 79474412 UUHARSUOQKXZAL-UHFFFAOYSA-N 414.219 3.421 0 40 HGAB O=C(c1cnn(-c2ccccc2)n1)N1CCC[C@@H](c2nnc(-c3ccsc3)o2)C1 96119017 MJFQDCFCKDCGKH-CQSZACIVSA-N 406.471 3.399 0 40 HGAB O=C(CN1CCN(Cc2c(Cl)cccc2Cl)CC1)Nc1cccc2nonc12 96299981 QNDBWBFZGRCPAW-UHFFFAOYSA-N 420.300 3.286 0 40 HGAB Cc1ccccc1NC(=O)COC(=O)c1ccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1 136286514 PXOAQXGMWJZMOH-OALUTQOASA-N 418.449 3.246 0 40 HGAB CCOc1ccc(CCCNC(=O)[C@@H](C)N(c2cccc(C)c2)S(C)(=O)=O)cc1 220148831 ILHPGZZRHPXIHK-GOSISDBHSA-N 418.559 3.297 0 40 HGAB CCCNC(=O)c1ccccc1NC(=O)c1cc(N(C)S(C)(=O)=O)ccc1Cl 222497851 CGQUSCXUGNHNQY-UHFFFAOYSA-N 423.922 3.128 0 40 HGAB CCCNC(=O)c1ccccc1NC(=O)c1ccc(N2CCCCS2(=O)=O)cc1 222582925 ICEBTZZTJMIEDR-UHFFFAOYSA-N 415.515 3.009 0 40 HGAB C[C@H](C(=O)NCc1cccc2ccccc12)N(c1ccccc1F)S(C)(=O)=O 222882850 ZIGSKHHAMAEGCV-OAHLLOKOSA-N 400.475 3.450 0 40 HGAB O=S(=O)(Cc1ccc(Br)cc1)NCc1nc(-c2cccs2)no1 223653152 VOMLOOPXEDPGMQ-UHFFFAOYSA-N 414.306 3.180 0 40 HGAB CCOC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)cc1Cl 223845297 DXADAYYILAZSNY-UHFFFAOYSA-N 422.890 3.227 0 40 HGAB Cc1cc(C)cc(N([C@@H](C)C(=O)NCCOc2ccc(C)cc2C)S(C)(=O)=O)c1 223894901 FFAGWTZNVRIBDH-IBGZPJMESA-N 418.559 3.270 0 40 HGAB CCc1ccc(OCCNC(=O)[C@@H](CC)N(c2ccc(C)cc2)S(C)(=O)=O)cc1 224304716 JZCCGXFDYDFLPV-OAQYLSRUSA-N 418.559 3.297 0 40 HGAB CS(=O)(=O)N(CC(=O)Nc1ccc(N2CCCC2)cc1)Cc1ccccc1Cl 224937690 QHPOOTWCSUEFFU-UHFFFAOYSA-N 421.950 3.341 0 40 HGAB CCSc1nnc(NC(=O)[C@@H](C)N(c2cc(C)ccc2C)S(C)(=O)=O)s1 225300241 CWRBLLKZDQXSMB-GFCCVEGCSA-N 414.578 3.060 0 40 HGAB COc1ccc(S(=O)(=O)N2CCN(C/C=C/c3ccccc3)CC2)c(C)c1C 225523219 OXBYVMFOGDVNED-JXMROGBWSA-N 400.544 3.332 0 40 HGAB CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N(CC)Cc1ccccc1 225718138 RFKBWLZQXYYECV-HXUWFJFHSA-N 404.532 3.289 0 40 HGAB CCCn1cnc2cc(N[C@H](c3cccc(OCCOC)c3)[C@H](O)[C@H](C)O)ccc21 257213360 CHFYOCWHPMMRHG-PBNUPURSSA-N 413.518 3.366 0 40 HGAB CCC(=O)NC[C@H]1CC[C@H](c2cc(C(=O)N3CCN(C)CC3)c3ccccc3n2)CC1 257229616 FYTYAMIUSQUTMM-WGSAOQKQSA-N 422.573 3.422 0 40 HGAB c1ccc(N2CCCCC2)c(CN2CCOC[C@@H](Cc3cn4ccnc4cn3)C2)c1 257334382 YFQUBHQZNNXZAI-FQEVSTJZSA-N 405.546 3.411 0 40 HGAB Cc1ccc(N([C@H](C)C(=O)N[C@H](C)COc2ccccc2C)S(C)(=O)=O)cc1C 260453293 IPVSYKFIZPGHGI-RTBURBONSA-N 418.559 3.350 0 40 HGAB Cc1cc(N2CCCC[C@H]2C)nc(NC(=S)NCc2ccc3c(c2)OCCO3)n1 260712748 KCAGPKILQVNFKX-OAHLLOKOSA-N 413.547 3.422 0 40 HGAB CN(C)c1cccc(C(=O)N2CCO[C@@]3(CCCC[C@H]3NCc3cccnc3)C2)c1 306128750 HJMUWFBUXRTCGW-VWNXMTODSA-N 408.546 3.091 0 40 HGAB CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N(C)Cc3ccccc3)C2)cc1 408557813 ODOXPJGKRLDAHX-IBGZPJMESA-N 416.543 3.145 0 40 HGAB CC1CCN(S(=O)(=O)c2ccc(O[C@H](C)C(=O)NC3CCCCC3)cc2)CC1 408610282 OSGFRTWCMGIHSC-QGZVFWFLSA-N 408.564 3.323 0 40 HGAB COC(=O)c1ccc(OC(=O)[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2)cc1 408672610 VOQZQFUBDJASBA-CYBMUJFWSA-N 418.243 3.194 0 40 HGAB O=C(CN1C(=O)S/C(=C/c2ccc3c(c2)OCCO3)C1=O)Nc1cccc(F)c1 409233777 XDISAXXGIWWWCW-RQZCQDPDSA-N 414.414 3.272 0 40 HGAB COc1ccc2c(-c3csc(NC(=O)COc4c[nH]c(C)cc4=O)n3)c[nH]c2c1 524735546 IQPNRTPEPWXFPI-UHFFFAOYSA-N 410.455 3.314 0 40 HGAB O=C(N1CCC[C@H](n2cnc3ccccc3c2=O)C1)C1(c2ccccc2)CCOCC1 575617386 ORKSANQYTASJKJ-FQEVSTJZSA-N 417.509 3.308 0 40 HGAB COc1cccc(CN2C[C@@H]3CN(S(=O)(=O)Cc4cccc(C)c4)CC[C@@H]32)c1 585107994 SMAUHBPXDGGIEU-IRLDBZIGSA-N 400.544 3.040 0 40 HGAB O=C(COc1cccc(Cl)c1)NC[C@@H]1OCCc2cn(Cc3ccccc3)nc21 585111239 KQNIVGTWYRXLEP-FQEVSTJZSA-N 411.889 3.394 0 40 HGAB O=C(O)CCNC(=O)c1ccc(NS(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1 615929355 ZGHTUFUBXXIOTP-UHFFFAOYSA-N 424.478 3.359 0 40 HGAB O=C(c1cncs1)N1CCC[C@]2(CCCCc3ccccc3OCCNC2=O)C1 643559851 FKTVOPZQXKHBNX-JOCHJYFZSA-N 413.543 3.287 0 40 HGAB CC(C)CCN1CC(=O)NCCCCCOc2cccc(C(=O)NC(C)C)c2C1 643575455 JVWYPGVFWKIRHD-UHFFFAOYSA-N 403.567 3.352 0 40 HGAB C[C@H]1[C@@H](NC(=O)N[C@H](CC(N)=O)c2ccc(Cl)cc2)CCN1Cc1ccccc1 1683098959 AFISJJCXQDITIY-RYGJVYDSSA-N 414.937 3.219 0 40 HGAB O=S(=O)(NC[C@@H](O)c1ccc(-c2cccs2)cc1)c1ccc2c(c1)OCCO2 1775977659 JIFOWOWTXJPVDP-QGZVFWFLSA-N 417.508 3.198 0 40 HGAB Cc1nc(N2C[C@@H]3C[C@H](C)N(c4nccc(C(F)(F)F)n4)[C@@H]3C2)c2ccncc2n1 1888888504 NEUWETIINZDRAH-DETPVDSQSA-N 415.423 3.246 0 40 HGAB Cc1nn(C)c(C)c1S(=O)(=O)N1CCC(c2ccc3cc(Cl)cnc3n2)CC1 1890766546 SINLNCIEVYWLFH-UHFFFAOYSA-N 419.938 3.202 0 40 HGAB Cc1ccc(C)c(NC(=O)COC(=O)[C@H](CC(C)C)N2C(=O)c3ccccc3C2=O)c1 1916981 VALZVDGTKLMYSE-FQEVSTJZSA-N 422.481 3.496 0 40 HGAB Cc1c(O[C@@H](C)C(=O)NCCCCCC(=O)O)ccc2c3c(c(=O)oc12)CCC3 2101631 FADTZOHJFQXWSL-AWEZNQCLSA-N 401.459 3.119 0 40 HGAB biogenic Cc1sc2nc(Cn3nnc(-c4cccc(C(F)(F)F)c4)n3)[nH]c(=O)c2c1C 3270180 VODSJSAPQXRLLJ-UHFFFAOYSA-N 406.393 3.322 0 40 HGAB COCCn1c(SCc2ccc(C(=O)OC)o2)nc2cc(Cl)ccc2c1=O 3494053 OYBMKCQQIVHHKJ-UHFFFAOYSA-N 408.863 3.368 0 40 HGAB O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)NCCc1ccccc1 3564129 CQMHFCMXSBBFCS-UHFFFAOYSA-N 408.523 3.236 0 40 HGAB O=C(c1cccnc1)N(c1ccc2oc(=O)sc2c1)S(=O)(=O)c1cccs1 3654017 SNXRGEXPONEGHS-UHFFFAOYSA-N 418.477 3.347 0 40 HGAB COc1ccc([C@H]2[C@@H](C(=O)NCc3ccccn3)c3ccccc3C(=O)N2C)cc1 3657843 QIJHYSCSIOGHEW-VXKWHMMOSA-N 401.466 3.317 0 40 HGAB C[C@@H](OC(=O)c1ccc2ccccc2n1)C(=O)Nc1ccc(N2CCOCC2)cc1 4057911 LNBYALUCEVJGOK-MRXNPFEDSA-N 405.454 3.255 0 40 HGAB O=C(CCCC(=O)N(CC(=O)NC1CCCC1)Cc1ccccc1)Nc1ccccn1 4092589 ZBCTYGKOKHTZAB-UHFFFAOYSA-N 422.529 3.278 0 40 HGAB Cc1ccc(-n2ncc3c(=O)n(CC(=O)Nc4ccc(C)c(Cl)c4)cnc32)cc1 4165805 HYGDAIHINUCGEZ-UHFFFAOYSA-N 407.861 3.491 0 40 HGAB Cc1cc(C)cc(NC(=O)Cn2cnc3c(cnn3-c3ccc(C)c(C)c3)c2=O)c1 4166086 UIUNCRRZLSZKJW-UHFFFAOYSA-N 401.470 3.455 0 40 HGAB COc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)C)N3CCCCCC3)cc2c1 4212467 VXEJCCBABJQPSF-LJQANCHMSA-N 410.522 3.244 0 40 HGAB CSCC[C@H](NC(=O)c1ccccc1)C(=O)OCC(=O)Nc1ccc(Cl)cc1 4328635 RJFIYSQGMHMRGJ-KRWDZBQOSA-N 420.918 3.373 0 40 HGAB C[C@@H](Sc1nnc(-c2cccc(F)c2)n1C)C(=O)Nc1ccc2c(c1)OCO2 4736270 AYCSCJLISOSRPA-LLVKDONJSA-N 400.435 3.469 0 40 HGAB CCOc1ccc(C(=O)CSc2nc3cc(S(N)(=O)=O)ccc3n2CC)cc1 5069114 IZELKCJUGDWYMQ-UHFFFAOYSA-N 419.528 3.077 0 40 HGAB CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)NC23CC4CC(CC(C4)C2)C3)c1C 5326469 ZPEBNTQGFMZQAJ-UHFFFAOYSA-N 402.491 3.050 0 40 HGAB Cc1ccc(NC(=O)CSc2nnnn2-c2ccccc2)cc1Br 5652320 ZTOUZOQWJQUGKR-UHFFFAOYSA-N 404.293 3.464 0 40 HGAB CCOc1ccc(NC(=O)CN(C)CC(=O)N[C@@H](C)c2ccccc2)cc1OCC 6207912 UCEJFHZBUGMMIE-KRWDZBQOSA-N 413.518 3.232 0 40 HGAB C[C@H](NS(=O)(=O)c1ccc(OCC(=O)NC2CC2)c(Cl)c1)c1ccccc1 6409273 LTJIUCCWFBDIFC-ZDUSSCGKSA-N 408.907 3.037 0 40 HGAB CC(C)Cn1c(N)c(-c2csc(Nc3ccc(Cl)cc3)n2)c(=O)n(C)c1=O 6590651 KSXVBNBLGSFPIV-UHFFFAOYSA-N 405.911 3.306 0 40 HGAB CCOC(=O)N1CCc2c(sc3c2C(=O)N[C@H](c2ccc(OC)cc2OC)N3)C1 6732648 LKCXCKPFHUFEDL-KRWDZBQOSA-N 417.487 3.134 0 40 HGAB CC(=O)c1ccccc1NC(=O)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1 6789313 ROSZNEAQIVARLQ-UHFFFAOYSA-N 404.463 3.455 0 40 HGAB Cc1noc(C)c1COC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1 7651118 JVVUWTDNSMEFSJ-UHFFFAOYSA-N 400.456 3.474 0 40 HGAB CCc1ccc(CCC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 8304821 NBMIGBMWHLUWFF-UHFFFAOYSA-N 400.544 3.023 0 40 HGAB O=c1c2ncccc2n(Cc2ccc(Cl)c(Cl)c2)c(=O)n1Cc1cccnc1 9001455 ZCYRCQPKDBXBOJ-UHFFFAOYSA-N 413.264 3.357 0 40 HGAB CCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C)C(=O)C(C)(C)CO3)cc1 9169995 YXROLIAGBRIKDX-UHFFFAOYSA-N 404.488 3.268 0 40 HGAB COc1cccc(Nc2nc(Nc3cccc(C(C)=O)c3)nc(N3CCOCC3)n2)c1 9708892 OPSSTTCAPXWAAQ-UHFFFAOYSA-N 420.473 3.407 0 40 HGAB CC(C)[C@H](NC(=O)c1ccco1)C(=O)Nc1nc2cc3c(cc2s1)OCCO3 11751638 COLYGMWTBICZHA-INIZCTEOSA-N 401.444 3.054 0 40 HGAB CC1(C)O[C@@H]2O[C@@H](C(=O)Nc3ccccc3C(F)(F)F)[C@@H]3OC(C)(C)O[C@@H]3[C@@H]2O1 11851671 GSQCRPFGOPNVJK-AQRJEWBLSA-N 417.380 3.040 0 40 HGAB CC(=O)N1c2ccc([C@H](O)CN3CCC(O)(c4ccccc4F)CC3)cc2C[C@@H]1C 12146830 ZGOICTZVXJJBKG-QMHKHESXSA-N 412.505 3.140 0 40 HGAB CCCS(=O)(=O)Nc1cccc(C(=O)N2CCCN(Cc3ccccc3)CC2)c1 12526129 SRHFRXPCCAFAKX-UHFFFAOYSA-N 415.559 3.186 0 40 HGAB O=C(CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)N1CCC(c2nc3ccccc3s2)CC1 12694688 WSKDBAKKGWVQQO-IRXDYDNUSA-N 423.538 3.344 0 40 HGAB COC(=O)[C@H](c1ccccc1Cl)N1CCN(C(=O)CCc2ccccc2)CC1 12738043 SMPVZUDXSNRQOW-NRFANRHFSA-N 400.906 3.331 0 40 HGAB COc1ccccc1CN(C)C(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O 12852124 BEYXXPPCEGFEMN-UHFFFAOYSA-N 404.422 3.357 0 40 HGAB CC[C@H](C(=O)Nc1ccccc1)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C 12888052 QTKSBTXSEFWZJH-QFBILLFUSA-N 408.502 3.099 0 40 HGAB COCCn1c(S[C@@H](C)C(=O)N[C@@H]2CCCC[C@@H]2C)nc2ccccc2c1=O 12892555 SZMJAXCCUBQPFL-YQQAZPJKSA-N 403.548 3.218 0 40 HGAB CCCN(CC(=O)Nc1ccccc1OC)C(=O)CSc1nc(C)cc(C)n1 13019691 IEKUWTDMOSFBMA-UHFFFAOYSA-N 402.520 3.071 0 40 HGAB CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)c1ccc(S(N)(=O)=O)cn1 14235448 LJEHOWOMEFDGEC-UHFFFAOYSA-N 419.510 3.218 0 40 HGAB Cc1noc2nc(-c3ccco3)cc(C(=O)NCCc3nnc4n3CCCCC4)c12 14241095 KZXAQARXCLMLIT-UHFFFAOYSA-N 406.446 3.082 0 40 HGAB CC(=O)NCCNC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccccc1 14281005 ZISYVTCGVMGREU-UHFFFAOYSA-N 413.481 3.013 0 40 HGAB Cc1c(C(=O)NCc2ccc(S(N)(=O)=O)cc2)oc2ccc(Br)cc12 15425369 FCLVKJYHOFZSNH-UHFFFAOYSA-N 423.288 3.081 0 40 HGAB Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(C)cc2Br)cc1 15737914 HIBVTSQSFUUMIN-UHFFFAOYSA-N 411.321 3.325 0 40 HGAB CCN(Cc1ccc(OC)c(OC)c1)C(=O)c1ccc2c(=O)n3c(nc2c1)CCC3 15817469 ZFSYVPYJSAGDCF-UHFFFAOYSA-N 407.470 3.022 0 40 HGAB O=C(c1ccccc1Cc1ccccc1)N1CCN(S(=O)(=O)c2ccccc2)CC1 15934649 JKNVCZLTLMFLCU-UHFFFAOYSA-N 420.534 3.424 0 40 HGAB Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(C)c(C)c3)C(=O)[C@@H]2[C@@H]2CCCN21 15990319 ZZFPRVRWYARAIA-UGCAPWQASA-N 415.493 3.043 0 40 HGAB CC(=O)NC12C[C@H]3C[C@@H](C1)CC(C(=O)O[C@@H](C)C(=O)Nc1cc(F)ccc1F)(C3)C2 16826868 MTTIZZHSRNOKNW-PPFFJVLGSA-N 420.456 3.310 0 40 HGAB Cc1cc(-c2cnc(N(C)C)nc2CN(Cc2ccccc2)C(=O)[C@H]2CCCO2)on1 19123578 GQBOQTTWTBAHDU-HXUWFJFHSA-N 421.501 3.214 0 40 HGAB COc1cc(C(=O)N2CCC[C@@H]([C@@H]3C[C@H](C(F)(F)F)n4nc(C)cc4N3)C2)ccn1 19128289 SEJFDYFLYGMZAQ-OWCLPIDISA-N 423.439 3.435 0 40 HGAB O=C(Cc1ccc(F)cc1)N1CCCC[C@H]1c1nn(CCO)cc1-c1ccncc1 19333304 VJZKOIINTBHSIG-NRFANRHFSA-N 408.477 3.373 0 40 HGAB CC[C@@H]1C[C@H](C(F)(F)F)n2nc(C3CCN(C(=O)Cn4ccnc4)CC3)cc2N1 19520817 RBUNIEHRPVFXNC-GDBMZVCRSA-N 410.444 3.183 0 40 HGAB CCNC(=O)[C@@]1(Cc2ccc(-c3cccs3)cc2)CCN(C(=O)c2cnccn2)C1 19529098 VOCCWSTXLISMPZ-HSZRJFAPSA-N 420.538 3.416 0 40 HGAB COc1ccc2[nH]c3c(c2c1)CN(C(=O)CCc1cc2c(cc1OC)OCCO2)CC3 19563316 RIYZNAJUYLSCDV-UHFFFAOYSA-N 422.481 3.474 0 40 HGAB Cc1nc2ncnn2c(C)c1CCC(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1 19578559 IKHSEYOSOSBTBI-QFIPXVFZSA-N 420.561 3.263 0 40 HGAB O=C(NC[C@@H](c1cccnc1)N1CCOCC1)c1cc(C2CC2)nc2ccccc12 19714769 FWFDAERUPGHCRC-QHCPKHFHSA-N 402.498 3.311 0 40 HGAB Cc1ccc2[nH]c(C)c(CN3CCN(Cc4ccc5c(c4)OCO5)CC3)c(=O)c2c1 19793697 LGQNBMSGUSROFJ-UHFFFAOYSA-N 405.498 3.191 0 40 HGAB CC(=O)N1CCN(C(=O)Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)CC1 20895180 DKBQCFZPMNCOFV-UHFFFAOYSA-N 422.916 3.426 0 40 HGAB COc1cc(CCC(=O)N2CCC(C(=O)NCc3ccccc3)CC2)cc(OC)c1 21637597 ZPIILJWCTPREOC-UHFFFAOYSA-N 410.514 3.191 0 40 HGAB COc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2ccccc2Cl)c1 22229778 FPUZALCFZCSWCG-QGZVFWFLSA-N 408.907 3.449 0 40 HGAB Cc1ccccc1-n1ncc(C(=O)Nc2ccc(CC(N)=O)cc2)c1C(F)(F)F 24492734 PKAXJPKHVNQTQH-UHFFFAOYSA-N 402.376 3.480 0 40 HGAB C[C@H](OC(=O)Cc1ccc(N2CCCC2=O)cc1)C(=O)N[C@@H]1CCCc2ccccc21 25115462 YXZUHMAZBSNJPK-HTAPYJJXSA-N 420.509 3.481 0 40 HGAB CCn1c(CN2CCOCC2)nc2cc(NC(=O)COc3ccccc3C)ccc21 26121705 VYJRNJQZVSZIBO-UHFFFAOYSA-N 408.502 3.214 0 40 HGAB CS(=O)(=O)N1CCCC[C@@H]1C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 26194106 IPOQKMUZFQFPFJ-GFCCVEGCSA-N 418.359 3.477 0 40 HGAB C[C@H](CNS(=O)(=O)c1cccc(Br)c1)N1CCc2sccc2C1 26839773 WEHRIAFTYSIHLV-GFCCVEGCSA-N 415.378 3.236 0 40 HGAB CNCCN1C(=O)[C@@H](OC(C)=O)[C@H](c2ccc(OC)cc2)Sc2ccccc21 26979273 YOMLDISQSWWYOT-PMACEKPBSA-N 400.500 3.026 0 40 HGAB biogenic CCOC(=O)[C@H]1CCCN(CC(=O)N2CCc3cc(-c4csc(C)n4)ccc32)C1 27343680 IURRJXNFGBYMIQ-SFHVURJKSA-N 413.543 3.283 0 40 HGAB CC(C)OC(=O)c1ccccc1NC(=O)CSc1nnc(C2CCCCC2)n1N 27753385 YEVNBNYIAJSTFL-UHFFFAOYSA-N 417.535 3.336 0 40 HGAB O=C(c1cc(=O)c2cc(Cl)ccc2o1)N1CCCN(CCc2ccncc2)CC1 27912407 ZQMNKNRVGVUGEF-UHFFFAOYSA-N 411.889 3.232 0 40 HGAB CCc1sc(C(=O)NCC(=O)NC[C@@H](c2ccccc2Cl)N(C)C)cc1C 29504324 ACWVDEWDNZBDAB-INIZCTEOSA-N 407.967 3.421 0 40 HGAB Cc1noc(C)c1CN1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 29831747 TZFWNPHISAMOIY-UHFFFAOYSA-N 404.319 3.105 0 40 HGAB CC1=C[C@@H](CNS(C)(=O)=O)[C@H](C(C)C)C[C@H]1CC(=O)N(C)Cc1ccccc1 30880059 ZXXQYUTZNCLECF-ACRUOGEOSA-N 406.592 3.439 0 40 HGAB biogenic,in-vitro Cc1cccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)c1 31107886 LIWNPKZEZWQION-KRWDZBQOSA-N 406.935 3.366 0 40 HGAB COc1ccc(OC)c(N2C[C@@H](C(=O)Nc3ccnn3C3CCCCC3)CC2=O)c1 32795998 YZDGPYFEYRBFQV-HNNXBMFYSA-N 412.490 3.397 0 40 HGAB CCOC(=O)c1c(NC(=O)[C@H](C)N2C[C@H](C)O[C@H](C)C2)sc2c1CC[C@@H](C)C2 36329921 CJWNNNIRFKIZOX-KBXIAJHMSA-N 408.564 3.486 0 40 HGAB CSc1nnc(CCCNC(=O)[C@H]2CC(c3ccccc3)=NO2)n1C1CCCC1 40157239 RSASHBODGVOAMC-GOSISDBHSA-N 413.547 3.357 0 40 HGAB CN(c1ccc(OCC(=O)Nc2ccc(N3CCCCC3)cc2)cc1)S(C)(=O)=O 47362725 VYTRRLLQBFQYQG-UHFFFAOYSA-N 417.531 3.090 0 40 HGAB COc1ccccc1Nc1nc2sc(C(=O)N[C@H]3CCS(=O)(=O)C3)cc2s1 48344054 XXVVDAURPQUJTF-JTQLQIEISA-N 423.541 3.027 0 40 HGAB O=C(CCS(=O)(=O)C1CCCC1)Nc1cccc(NC(=O)c2ccncc2)c1 48361759 IOVKUHYNCGXAIL-UHFFFAOYSA-N 401.488 3.020 0 40 HGAB COc1cccc(Cn2c(SCC(=O)N3CCCC3)nc3ccsc3c2=O)c1 57426142 IAKHBCKBZGPMDF-UHFFFAOYSA-N 415.540 3.229 0 40 HGAB CCCCN(CC)C(=O)Cn1c(=O)n(CCc2cccs2)c(=O)c2sccc21 57493807 NNKQZEOMFVANCU-UHFFFAOYSA-N 419.572 3.178 0 40 HGAB O=C(CCC(=O)N1CCCC[C@@H]1C(=O)N1CCCC1)c1ccc(Br)cc1 58201304 SDILOEKYBIAZTF-QGZVFWFLSA-N 421.335 3.416 0 40 HGAB C[C@@H]1CN(Cc2ccc(C(=O)N3CCC(Nc4cccnc4)CC3)cc2)C[C@@H](C)O1 58356018 XJCAOVSAGYQIMO-RTBURBONSA-N 408.546 3.408 0 40 HGAB Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)N1CCC(C(N)=O)CC1 68808601 QMKJFFMZILEOPT-UHFFFAOYSA-N 407.470 3.361 0 40 HGAB Cc1ccccc1C(=O)NC1CCN(C(=O)CN2CC[C@@H](c3ccccc3)C2)CC1 69620802 LWJKVCUKLNURFR-OAQYLSRUSA-N 405.542 3.205 0 40 HGAB Cn1cnc(S(=O)(=O)N2CCC[C@@H](c3nccnc3-c3cccc(Cl)c3)C2)c1 72359152 FJWBDASGOOXHHD-OAHLLOKOSA-N 417.922 3.099 0 40 HGAB CNC(=O)[C@]1(Cc2ccc(-c3ccc(F)cc3)cc2)CN(C(=O)CC(C)C)CCO1 72389302 GVUZWYFVVMMZSX-DEOSSOPVSA-N 412.505 3.425 0 40 HGAB COc1ccc(-c2cc(C(=O)N3CCc4cc(OC)c(OC)cc4C3)n(C)n2)cc1 72404899 JVWMWUKNWXFEAQ-UHFFFAOYSA-N 407.470 3.311 0 40 HGAB O=C(CCCc1ccccc1)N1CCN(c2cc(Nc3ccccn3)ncn2)CC1 90607891 AQDSMMOILFQBNK-UHFFFAOYSA-N 402.502 3.287 0 40 HGAB Cn1cccc1CN1CCOCC2(CCN(C(=O)Nc3ccccc3F)CC2)C1 96078180 UMJUXGBYCPDYDG-UHFFFAOYSA-N 400.498 3.311 0 40 HGAB CO[C@](C)(CNC(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1)c1ccccc1F 96123641 XKMHAMLGNBRVRJ-GOSISDBHSA-N 414.355 3.341 0 40 HGAB CC(C)CCN1[C@@]2(CCN(C(=O)NC3CCCC3)C2)c2ccccc2S1(=O)=O 96143261 JQAQPUGVQAJFLA-OAQYLSRUSA-N 405.564 3.290 0 40 HGAB Cc1noc(C)c1C(=O)N1Cc2ccccc2C2(CCN(c3cnccn3)CC2)C1 96242558 DMLCJHDGOSCCQQ-UHFFFAOYSA-N 403.486 3.276 0 40 HGAB CCc1ccc(N2C(=O)[C@H]3N=NN(CC(=O)Nc4ccc(C(C)C)cc4)[C@H]3C2=O)cc1 101166070 WFOWWIKOAMPKDP-LEWJYISDSA-N 419.485 3.304 0 40 HGAB Cc1c(I)cnn1CCC(=O)N[C@@H](C)[C@@H]1C[C@@H]2CC[C@@H]1C2 101996924 LDQPVAHCGFAWEQ-ASEORRQLSA-N 401.292 3.127 0 40 HGAB CC[C@@H](C(=O)NCc1ccc(OC(C)C)cc1)N(c1ccccc1F)S(C)(=O)=O 113967658 DEYDRVOPRHWUDW-IBGZPJMESA-N 422.522 3.474 0 40 HGAB COc1cccc(-c2noc(CNC(=O)C3CCN(Cc4ccccc4F)CC3)n2)c1 219424397 XPRHTNDGEPRHHI-UHFFFAOYSA-N 424.476 3.413 0 40 HGAB CCOC(=O)c1ccc(NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2Cl)c(C)c1 222520441 KWYITYWWBYCPTO-UHFFFAOYSA-N 424.906 3.473 0 40 HGAB C[C@@H](C(=O)NCc1cccnc1)N(Cc1ccccc1)C(=O)COc1ccccc1 222774987 RULNXEYMCWBWCG-IBGZPJMESA-N 403.482 3.194 0 40 HGAB CCOC(=O)c1ccc(C)c(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c1 225567824 IQEXMCVKEODUOW-UHFFFAOYSA-N 416.499 3.209 0 40 HGAB COc1ccc(CN(C)S(=O)(=O)c2ccc3c(c2)sc(=O)n3C(C)C)cc1 225714973 SIUSWIKDGUIFRH-UHFFFAOYSA-N 406.529 3.473 0 40 HGAB CCOCCCNC(=O)Cc1ccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)cc1 225988195 GYSYOUDTWJQEOP-UHFFFAOYSA-N 424.950 3.250 0 40 HGAB CCC(=O)N1CCC[C@@H]1c1cc2nc3c(c(O)n2n1)CCN(C[C@@H]1CC=CCC1)C3 253373122 HSLSPXZAKUIGGW-OXQOHEQNSA-N 409.534 3.223 0 40 HGAB O=C(C[C@H]1CN(C(=O)c2cncs2)CC[C@@H]1Oc1ccccc1)N1CCCCC1 257199963 ABMCZJFFHRNSII-HKUYNNGSSA-N 413.543 3.455 0 40 HGAB O=C(NS(=O)(=O)c1ccc(F)cc1)c1ccc2c(c1)nnn2C1CCCCC1 257235869 GZXDSDAGVXSTHS-UHFFFAOYSA-N 402.451 3.194 0 40 HGAB CCn1cc(C(=O)N2CCC[C@@H]3NC(=O)c4ccccc4OCC/C=C/C[C@@H]32)cn1 257275687 NQMIJVGRWSNWLK-LOKQZNEXSA-N 408.502 3.035 0 40 HGAB CC(=O)N[C@H]1CC[C@](CNC(=O)C2(C)CCCCC2)(c2ccccc2)CC[C@@H]1O 257287081 POLBEPBDRMKXIQ-HFMPRLQTSA-N 400.563 3.451 0 40 HGAB C[C@]12C[C@@H](c3ccccc3)C[C@](CCO)(CC[C@@H](NC(=O)c3ccccc3)[C@@H]1O)O2 257314213 UVVJHOHXWQSBBG-FQFZUICKSA-N 409.526 3.414 0 40 HGAB COc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)cc1 260798253 QTBLRRBGOXPUPN-MRXNPFEDSA-N 418.559 3.491 0 40 HGAB COc1ccccc1N(CC(=O)N[C@H](C)c1cc(C)c(C)cc1C)S(C)(=O)=O 260947504 WDUSBROCBQYWAK-QGZVFWFLSA-N 404.532 3.264 0 40 HGAB Cc1ccc(CNC(=O)c2nc([C@@H]3CCCN3C(=O)N(C)C)n3ccccc23)cc1 306131946 KTSJXWDVRINUFX-IBGZPJMESA-N 405.502 3.391 0 40 HGAB CCOC(=O)Nc1cc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)ccc1OCC 408585384 GCCYUKGMKXHUPC-UHFFFAOYSA-N 422.459 3.226 0 40 HGAB O=C1CN(C(=O)CN2CCC[C@@H](c3n[nH]c(C4CCCCC4)n3)C2)c2ccccc2N1 537560943 KJRWFFYMYFMSRW-QGZVFWFLSA-N 422.533 3.017 0 40 HGAB O=C(CN1C(=O)c2ccccc2C1=O)Nc1ccccc1-c1cn2c(n1)CCCC2 575620289 PIEJFUQYGLGUTJ-UHFFFAOYSA-N 400.438 3.121 0 40 HGAB CC[C@H](C)CN1C[C@H]2C(=O)NC3(CCN(C(=O)c4ccc(Cl)c(F)c4)CC3)[C@H]2C1 585106162 TVLXBFUWLKLXAQ-UAGQMJEPSA-N 421.944 3.178 0 40 HGAB O=C(NC[C@@H]1OCCc2cn(Cc3ccccc3)nc21)N1CCc2ccccc2C1 585111669 DYXXRJKOOGRHDM-QFIPXVFZSA-N 402.498 3.313 0 40 HGAB CN(C)S(=O)(=O)c1ccccc1CNC(=O)N1CC(C)(C)[C@H]1c1ccccc1 619296613 UAZXYQOFROGJMV-LJQANCHMSA-N 401.532 3.230 0 40 HGAB Cn1cnnc1CC1CCN(C(=O)c2cc3cc(Br)ccc3[nH]2)CC1 1638839491 VSONJLFYSRHOQS-UHFFFAOYSA-N 402.296 3.154 0 40 HGAB O=C(COCc1ccccc1)N1C[C@@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@H]2C1 1888869721 VSIWPYJJOWIVQT-IRXDYDNUSA-N 405.420 3.212 0 40 HGAB CC(C)NC(=O)N1C[C@@H]2CC[C@H](CNC(=O)CCc3ccc[nH]3)N2Cc2ccccc21 2055747107 ITRHQEOMACGRAG-RTWAWAEBSA-N 423.561 3.035 0 40 HGAB COc1cc(OC)cc(C(=O)Nc2ccc(N3CCN(C(=O)C(C)C)CC3)cc2)c1 804982 AEYBQYGVSXVVQM-UHFFFAOYSA-N 411.502 3.261 0 40 HGAB CC1=C(C(N)=O)[C@@H](c2ccc(Cl)cc2)N2NC(c3ccc(Cl)cc3)=NC2=N1 940657 YIJNLXJAFACITG-MRXNPFEDSA-N 400.269 3.430 0 40 HGAB Cc1cccc(N2C(=O)c3sc4nnc(-c5ccccc5)c(=O)n4c3C2=O)c1C 946909 VDUNUUTXQGADFE-UHFFFAOYSA-N 402.435 3.235 0 40 HGAB NC(=O)Cn1cnc2c(sc3nnc(-c4ccccc4)c(-c4ccccc4)c32)c1=O 2523156 DIZWKUKLJNYMHS-UHFFFAOYSA-N 413.462 3.221 0 40 HGAB O=C(CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O)Nc1ccc(F)c(Cl)c1 2628423 UIGVCZNVTQPSPN-KRWDZBQOSA-N 414.824 3.062 0 40 HGAB COc1ccc(NC(=O)CN2C(=O)c3cc(Cl)c(Cl)cc3C2=O)c(OC)c1 3605311 HRZRQBJPMQTZEW-UHFFFAOYSA-N 409.225 3.245 0 40 HGAB Cc1cccc(OCC(=O)N(Cc2ccc(Cl)cc2)[C@H]2CCS(=O)(=O)C2)c1 4183019 LAWOSTXONICGPM-SFHVURJKSA-N 407.919 3.243 0 40 HGAB Cc1occc1-c1nnc(SCC(=O)N2CCOCC2)n1CCc1ccccc1 4373735 CRFUKFKLCXWODO-UHFFFAOYSA-N 412.515 3.040 0 40 HGAB CCn1c(CC(=O)Nc2ccccc2C)nnc1SCC(=O)NC1CCCCC1 4814670 AYIIRWDJQZRUCJ-UHFFFAOYSA-N 415.563 3.329 0 40 HGAB Cc1ccc(SCc2cc(=O)[nH]c(N3CCN(C(=O)c4ccccc4)CC3)n2)cc1 4818166 FVACLMOLTWHMLS-UHFFFAOYSA-N 420.538 3.333 0 40 HGAB O=C(COC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccs1)NC1CCCCC1 4977655 ITFYCOPKTFEQNI-SFHVURJKSA-N 414.527 3.081 0 40 HGAB COc1cccc([C@@H]2NC(=O)NC(C)=C2C(=O)OCCOC(C)C)c1OC(C)C 4986963 AISTUFOOWRPPHG-SFHVURJKSA-N 406.479 3.079 0 40 HGAB CC(=O)[C@@H](CN1CCOCC1)[C@@H](c1ccccc1)c1c(O)c2ccccc2oc1=O 5832057 WYSBRMWWVGTIDC-TZIWHRDSSA-N 407.466 3.168 0 40 HGAB CCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccc(C)cc3C)cc2)CC1 6348840 IHWBASLBCGTIOM-UHFFFAOYSA-N 424.570 3.489 0 40 HGAB COc1ccc(C(=O)O)cc1NC(=S)NC(=O)COc1ccc(Cl)cc1C 6613194 KIOOJOUARJRTCC-UHFFFAOYSA-N 408.863 3.247 0 40 HGAB CCn1c(=S)sc2c(=O)n(CC(=O)NCc3ccccc3Cl)c(C)nc21 6754888 IIORMZOKASUFOA-UHFFFAOYSA-N 408.936 3.287 0 40 HGAB COc1ccc(CNC(=O)NC[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1OC 9040304 HARHWCISTBDNCK-HNNXBMFYSA-N 417.893 3.210 0 40 HGAB O=C(CN1CCC(C(=O)N2CCCCCC2)CC1)Nc1ccc(N2CCCC2)cc1 9117726 XYNXTQZBBDYOFO-UHFFFAOYSA-N 412.578 3.340 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)Cc1cccc(F)c1 9244982 ILBRWMXEMMMPHW-UHFFFAOYSA-N 406.479 3.190 0 40 HGAB O=C1CCC(C(=O)OCC(=O)Nc2ccccc2Sc2ccc(Cl)cc2)=NN1 9612540 GQFXGPXOXPPTJT-UHFFFAOYSA-N 417.874 3.239 0 40 HGAB O=C(NCc1ccc(F)cc1)C(=O)NC[C@@H](c1cccs1)N1CCc2ccccc21 9708268 FLVCUIZXESVWKY-FQEVSTJZSA-N 423.513 3.424 0 40 HGAB Cn1c(=O)n(Cc2ccccc2Cl)c(=O)c2c1nc1oc(-c3ccc(F)cc3)cn12 9789688 JVRXTYGDJATPII-UHFFFAOYSA-N 424.819 3.449 0 40 HGAB CCc1ccc(S(=O)(=O)NCCOc2ccc(-c3ccc(F)cc3)nn2)s1 9852926 YWORDLGUAOTADE-UHFFFAOYSA-N 407.492 3.264 0 40 HGAB O=C(CCc1nc(-c2cccs2)no1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 9993349 LFDJWDGSRSTFCO-UHFFFAOYSA-N 423.498 3.237 0 40 HGAB Cc1cccc(C)c1NS(=O)(=O)c1c(C)cc(C)c(N(C)S(C)(=O)=O)c1C 10233948 VZHHQFQKAMCUEN-UHFFFAOYSA-N 410.561 3.425 0 40 HGAB Cc1ccc(S(=O)(=O)Nc2cc(C(=O)Nc3ccc(C(N)=O)cc3)ccc2C)cc1 10329237 WCVLGQODVYDEAT-UHFFFAOYSA-N 423.494 3.455 0 40 HGAB COc1ccc(N([C@H](C)C(=O)N(C)Cc2ccccc2)S(C)(=O)=O)cc1Cl 10338311 ZNAYLVAMCDFFNS-CQSZACIVSA-N 410.923 3.162 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCCCN1CCC(C)CC1 10540960 AJLNXTDAGHUQMY-UHFFFAOYSA-N 421.607 3.021 0 40 HGAB COc1cc(OC)c(C2=CCN(C(=O)CCc3c(C)nn(C)c3C)CC2)c(OC)c1 10889176 ZPDKYZPNOUYEMN-UHFFFAOYSA-N 413.518 3.311 0 40 HGAB O=C(C[C@@H]1CCCCN1S(=O)(=O)c1ccccc1)NCc1c(F)cccc1F 11612671 IYVPNMGSYKFEAM-HNNXBMFYSA-N 408.470 3.215 0 40 HGAB CC(C)CC(=O)N1CCC[C@@H](c2nc(N3CCOCC3)ncc2-c2ccncc2)C1 12089333 GZBHQBGJLYRMEI-LJQANCHMSA-N 409.534 3.127 0 40 HGAB Cc1oc(C2CC2)cc1C(=O)N1CCC([C@@H]2Nc3ccccc3S(=O)(=O)N2)CC1 12089424 YTYBGSWUULOYMD-HXUWFJFHSA-N 415.515 3.048 0 40 HGAB O=C(Nc1ccncc1)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 12521858 KLHVHEBPAZFFPJ-UHFFFAOYSA-N 413.421 3.140 0 40 HGAB Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3ccc(N4CCCC4)cc3C)C2=O)cc1 12523155 NMDLQKXHAFMDKF-XMMPIXPASA-N 420.513 3.309 0 40 HGAB O=C(Nn1cnc2ccccc21)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 12548156 GJWWIJUGJSUDGW-UHFFFAOYSA-N 410.430 3.360 0 40 HGAB Cc1cc(C)c2c(n1)sc1c(=O)n(CCS(=O)(=O)Oc3ccccc3)cnc12 12562902 ABMGMASTIPRHJB-UHFFFAOYSA-N 415.496 3.032 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)CCc2ccc3c(c2)OCO3)cc1 12605287 WJIHNWNVNZSAOB-UHFFFAOYSA-N 404.488 3.017 0 40 HGAB COCCNC(=O)CSc1ccccc1C(=O)Nc1ccnn1C1CCCCC1 12936791 BNYSKUGTHXUUCK-UHFFFAOYSA-N 416.547 3.495 0 40 HGAB O=C(CN1CSCC1=O)Nc1ncc(Cc2ccc(OC(F)(F)F)cc2)s1 12947464 ARLVHLYBLBSHDV-UHFFFAOYSA-N 417.434 3.104 0 40 HGAB COc1cc(NC(=O)N2CCN(c3ccc(-c4ccco4)nn3)CC2)cc(OC)c1 13606727 ZZFRHDOYHIGYGZ-UHFFFAOYSA-N 409.446 3.108 0 40 HGAB COc1ccccc1N(CC(=O)N1CCC[C@@H](C)C1)S(=O)(=O)c1ccccc1 13669183 JKBAPMHVVIPNDI-QGZVFWFLSA-N 402.516 3.149 0 40 HGAB CC(C)CNC(=O)c1ccccc1NC(=O)CCCN1C(=O)c2ccccc2C1=O 13686831 SXUJJLJNJKIAGD-UHFFFAOYSA-N 407.470 3.087 0 40 HGAB Cc1cc(=O)c(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)nn1-c1ccccc1Cl 14092894 IZPZUIDIGYWROX-SFHVURJKSA-N 422.916 3.199 0 40 HGAB Cc1cccc(C(=O)NCC(=O)O[C@H](C)C(=O)Nc2nc(-c3ccccc3)cs2)c1 15228744 GLMALOBLLVRTSU-OAHLLOKOSA-N 423.494 3.419 0 40 HGAB COc1ccc([C@@H]2c3nc[nH]c3CCN2C(=O)c2cc(=O)n(C)c3ccccc23)cc1 19666180 JLPLXYFHLSSSRJ-HSZRJFAPSA-N 414.465 3.058 0 40 HGAB Cn1c(=O)oc2cc(NC(=O)CN3CCC(c4noc5cc(F)ccc45)CC3)ccc21 19717680 LKOQESDZXSJBDW-UHFFFAOYSA-N 424.432 3.230 0 40 HGAB Cc1cccnc1CNS(=O)(=O)c1ccc2c(c1)[C@@H](NC(=O)C1CCCC1)CC2 19749549 KLWCJRSAVVAYNC-FQEVSTJZSA-N 413.543 3.162 0 40 HGAB Cc1nc(C)c(C(=O)N[C@@H]2CCc3ccc(S(=O)(=O)NC4CCCC4)cc32)s1 19749618 NBMFOFHLWPQDEC-GOSISDBHSA-N 419.572 3.398 0 40 HGAB COc1ccc([C@H](C)NC(=O)CCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 20024519 OXJZMLICBBWXCR-KRWDZBQOSA-N 416.543 3.290 0 40 HGAB CC(=O)Oc1cc2c(C(=O)NCCCN3CCOCC3)c(C)oc2c2ccccc12 20069214 TUUKCILMEFDYSV-UHFFFAOYSA-N 410.470 3.272 0 40 HGAB CS(=O)(=O)N1C[C@@H](C(=O)Nc2cc(Cl)ccc2Cl)Oc2ccccc21 20111007 RKMRFEWTPPLELX-HNNXBMFYSA-N 401.271 3.159 0 40 HGAB CC(C)c1nnc2ccc(N3CCC(C(=O)NCc4ccc(Cl)cc4)CC3)nn12 20745533 KRVNRZDFKNUGAI-UHFFFAOYSA-N 412.925 3.434 0 40 HGAB CCCOc1ccc(N(CC(=O)N[C@H]2CCCc3ccccc32)S(C)(=O)=O)cc1 22397320 CAYOSUYBJRJGTP-NRFANRHFSA-N 416.543 3.435 0 40 HGAB CC[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(OC)cc2)C1)c1ccccc1 22515046 QXNRDVJFUSBDIC-RXVVDRJESA-N 416.543 3.363 0 40 HGAB CC(=O)N[C@H](CC(=O)OCc1cc(=O)oc2cc(O)ccc12)c1ccc(Cl)cc1 23036997 NDNZFXFLKUSBJD-GOSISDBHSA-N 415.829 3.463 0 40 HGAB COCCn1c(SCc2nc(-c3cccs3)no2)nnc1-c1ccncc1 23221992 MIJLWFXAGZRJQY-UHFFFAOYSA-N 400.489 3.390 0 40 HGAB O=C(Cc1cn2ccsc2n1)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 24230005 SQDDVBFXHRRQJJ-UHFFFAOYSA-N 408.449 3.302 0 40 HGAB COc1cc(OC)cc(C(=O)N2CCN(C(=O)c3ccc4[nH]c(C)c(C)c4c3)CC2)c1 25516351 JQLNZTAZXGZRFK-UHFFFAOYSA-N 421.497 3.400 0 40 HGAB CC(=O)c1ccc(Nc2nnc(SCc3ccccc3Cl)n(N)c2=O)cc1 28535797 VLUXYHVIBUOARJ-UHFFFAOYSA-N 401.879 3.244 0 40 HGAB COc1cccc([C@@H](NS(=O)(=O)c2cccc3cc(C)cnc23)c2nccn2C)c1 29352855 PRKNBUAKPNRZPK-OAQYLSRUSA-N 422.510 3.353 0 40 HGAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccccc3)CC2)cc1C 30333284 LPOYVBXOMSYTMM-UHFFFAOYSA-N 416.543 3.111 0 40 HGAB O=C(CSc1nc2ncccc2c(=O)n1-c1ccccc1)NCc1ccccc1F 31613721 VHVBCJOMEFLQGK-UHFFFAOYSA-N 420.469 3.328 0 40 HGAB Cc1oc(C)c(C(=O)NCCN2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1C 32809972 FULYZJJGYPHHDR-UHFFFAOYSA-N 410.440 3.171 0 40 HGAB CN(C)[C@@H](CNC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1)Cc1ccccc1 32983485 BNGIYVIDJOPTTL-XIQMRYHBSA-N 419.569 3.228 0 40 HGAB CC[C@@H](C)NC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1cc(C)ccc1OC 33622956 UHKXNVYWNFKHJZ-MRXNPFEDSA-N 420.531 3.122 0 40 HGAB Cc1cc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)ccc1-n1cnnn1 35311044 MWMAQGMGVFLEQK-UHFFFAOYSA-N 419.510 3.362 0 40 HGAB O=C(c1cc(-c2cccs2)n[nH]1)N1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)CC1 38729723 FADNLASWJPWJBA-DLBZAZTESA-N 424.501 3.365 0 40 HGAB Cc1cccc(OCC(=O)NCc2cc(=O)n3nc(-c4cccc(C)c4)sc3n2)c1 41078164 NUEITKWZGIDGMB-UHFFFAOYSA-N 420.494 3.130 0 40 HGAB Cc1ccc(-c2nn(C)c(=O)c3c2CCCC3)cc1S(=O)(=O)N(C)c1ccccc1 46027421 QJLNGMBWIIRNEM-UHFFFAOYSA-N 423.538 3.460 0 40 HGAB CCOC(=O)c1cnn(-c2ccc(C(=O)Nc3ccn(C)n3)cc2)c1C(F)(F)F 48107330 RQPJIIGDZAYWEE-UHFFFAOYSA-N 407.352 3.054 0 40 HGAB COc1ccc2cc(CN(C)C(=O)c3nc(S(C)(=O)=O)n4ccccc34)ccc2c1 48326111 BAUIBKWJWBUNBX-UHFFFAOYSA-N 423.494 3.172 0 40 HGAB O=C(CSc1nnc(CCc2nc3ccccc3s2)o1)NCc1ccco1 49029027 UIVSWPBVBJXBOE-UHFFFAOYSA-N 400.485 3.466 0 40 HGAB Cc1ccc(NC(=O)CN2CN(c3ccc(C)cc3)c3ncccc3S2(=O)=O)cc1 49411411 TZENSNQTUIMAHG-UHFFFAOYSA-N 422.510 3.437 0 40 HGAB CCN(C[C@@H]1COc2ccccc2O1)C(=O)NCc1ccccc1OCCOC 50127663 WFFNYGSVSIHIAJ-GOSISDBHSA-N 400.475 3.083 0 40 HGAB Cc1ccccc1N1CCN(CC(=O)Nc2ccccc2C(=O)NC2CCCC2)CC1 57347425 ORTWKORUZIHNDR-UHFFFAOYSA-N 420.557 3.428 0 40 HGAB O=C(Cn1c(=O)n(-c2ccccc2F)c(=O)c2sccc21)Nc1ccccc1F 57490471 YWJIWEGRNPSCIW-UHFFFAOYSA-N 413.405 3.131 0 40 HGAB Cc1nc2cc(NC(=O)[C@@H]3CCCN(c4cc(-n5cccn5)ncn4)C3)ccc2s1 70638113 YVMMSDYPZRTEQW-OAHLLOKOSA-N 419.514 3.436 0 40 HGAB COc1cc(OC)c2c(C)c(CC(=O)NCCn3ccc4ccccc43)c(=O)oc2c1 70666181 DZACNPSWEOEPSE-UHFFFAOYSA-N 420.465 3.432 0 40 HGAB biogenic Cc1nc(-c2ccncc2)[nH]c(=O)c1CCC(=O)N(C)Cc1nc2ccccc2s1 72274540 KKTNPMYMKPXULO-UHFFFAOYSA-N 419.510 3.341 0 40 HGAB O=C(Cn1nc(-c2ccc(Cl)cc2)ccc1=O)NCCn1ccc2ccc(F)cc21 72400798 KBKADUJATPDGSJ-UHFFFAOYSA-N 424.863 3.474 0 40 HGAB COc1ccc(C2(CNC(=O)Cc3csc(-n4cccc4)n3)CCOCC2)cc1 72402372 MPITZBCTCSOXNA-UHFFFAOYSA-N 411.527 3.350 0 40 HGAB COc1cc(C(=O)Nc2ccc(Oc3ccccc3)cc2)sc1S(N)(=O)=O 79060557 ORDLYMCMKUUTDU-UHFFFAOYSA-N 404.469 3.449 0 40 HGAB COc1ccc2c(c1)N(CC(=O)Nc1cc(C)nn1-c1nc(C)cc(C)n1)CCCC2 79093094 WLVHELUHXOTRBH-UHFFFAOYSA-N 420.517 3.378 0 40 HGAB COC(=O)c1ccc(S(=O)(=O)N2CCC(CSc3ccccn3)CC2)cc1 90608082 ACIODMPRXBCEHF-UHFFFAOYSA-N 406.529 3.061 0 40 HGAB CCN1C[C@]2(CC1=O)CN(Cc1ccsc1)CCN(C(=O)Nc1ccccc1)C2 97952812 LQDQKSSPANQRNZ-QFIPXVFZSA-N 412.559 3.336 0 40 HGAB COC(=O)c1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccco4)[C@H]3C2=O)cc1 101130161 AIRJRZRRFRLGKT-AABGKKOBSA-N 418.405 3.117 0 40 HGAB Cc1cccc(/N=c2\scc(-c3ccc4c(c3)CCN4S(C)(=O)=O)n2C)n1 101722617 ZUBLGGRJCKKBBK-VZCXRCSSSA-N 400.529 3.012 0 40 HGAB O=C(N[C@H]1[C@@H]2c3ccccc3CC[C@H]21)c1ccc(S(=O)(=O)Nc2ccncc2)cc1 101747435 JLLAFYWNEHASGN-YPAWHYETSA-N 419.506 3.341 0 40 HGAB O=C(Nc1ccc(F)cc1)C1CCC(N2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@H]3C2=O)CC1 102144620 JQENEYGIGVQUQS-QPVIELFTSA-N 408.473 3.376 0 40 HGAB Cc1cc(NC(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)n(-c2cccc(Cl)c2)n1 105979636 HDFIVTQULOVVKP-NSHDSACASA-N 400.788 3.183 0 40 HGAB CN1C(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cn(CC(N)=O)c2ccccc12 111674578 RXDQBNQEXSHNNP-ZDLGFXPLSA-N 424.913 3.384 0 40 HGAB O=C1[C@H]2[C@@H](c3ccc(O)cc3)NN(Cc3ccccc3)[C@@H]2C(=O)N1C1CCCCC1 170620975 OLVBUHOIWWXHMU-BDTNDASRSA-N 405.498 3.140 0 40 HGAB CCOC[C@@]1(N)[C@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 218232532 QTBIGFUQEKULKR-CEXWTWQISA-N 424.360 3.431 0 40 HGAB Cc1[nH]c(C)c([C@@H]2[C@H](c3ccccn3)NC(=S)N2C)c1I 222726047 MZZLWNPJJZKVMS-UONOGXRCSA-N 412.300 3.233 0 40 HGAB CC[C@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CCc1ccc(OC)c(OC)c1 223051169 JVCVCGYVVHONDG-HXUWFJFHSA-N 412.530 3.498 0 40 HGAB COc1ccccc1CN1C(=O)CC[C@@H]1C(=O)Nc1ccc2c(c1)C(C)(C)C(=O)N2 223409872 AQCKSDRKHJLGTO-GOSISDBHSA-N 407.470 3.055 0 40 HGAB Cc1ccc(CN(CC(=O)NCc2ccc(Cl)cc2Cl)S(C)(=O)=O)cc1 223481620 BZNUKWKZMOLOPB-UHFFFAOYSA-N 415.342 3.380 0 40 HGAB CNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)COc1ccc(C)cc1 225468901 JYDXWKGIZOJXEP-HNNXBMFYSA-N 419.319 3.300 0 40 HGAB O=C1CCCN1c1cccc(NC(=S)NCc2ccccc2CN2CCOCC2)c1 225778842 PZOAEISFBZMTOG-UHFFFAOYSA-N 424.570 3.132 0 40 HGAB Cc1cc(OC2CCN(C(=O)c3cccc(Br)c3)CC2)cc(=O)n1C 238819249 CFOJEQXNKGPZSH-UHFFFAOYSA-N 405.292 3.140 0 40 HGAB CN1C[C@@H](C(=O)Nc2ccc(F)cc2)C[C@H]1C1CCN(C(=O)c2cccnc2)CC1 248090256 CAJYOPVPQBDRQG-RXVVDRJESA-N 410.493 3.032 0 40 HGAB Cn1nccc1C(=O)N1CCC[C@H](c2nc3ccc(-c4cccc(F)c4)cn3n2)C1 306131778 KPKJKLLUWCSMCE-KRWDZBQOSA-N 404.449 3.289 0 40 HGAB CCOc1ccc(NS(=O)(=O)c2ccc(O[C@@H](C)C(=O)NC(C)C)cc2)cc1 408606383 PDBSHZUMDIARTO-HNNXBMFYSA-N 406.504 3.178 0 40 HGAB C[C@@H](NC(=O)c1ccc(Cl)c(N2CCCC2=O)c1)C1(N2CCOCC2)CCCC1 673940313 SMBPBJJTTUIRPM-MRXNPFEDSA-N 419.953 3.230 0 40 HGAB Cc1cc(C)n(-c2ccc(=O)n(C3CCN(c4nc5ccccc5nc4C)CC3)n2)n1 1775970034 XZUVKLRDRJAPEW-UHFFFAOYSA-N 415.501 3.139 0 40 HGAB O=C(Cc1ccc(F)cc1)N1CCC[C@H](COc2ncc(Br)cn2)C1 1775995058 VJPBFIHQMCPBCY-AWEZNQCLSA-N 408.271 3.238 0 40 HGAB CC1=C(C(=O)Nc2cccnc2)[C@@H](c2ccc(Cl)cc2Cl)n2nnnc2N1 950934 RSTJAFPTGJVCHO-OAHLLOKOSA-N 402.245 3.303 0 40 HGAB O=C(Nc1ccccc1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 1401321 WNFPRCJAKLDWNJ-INIZCTEOSA-N 409.305 3.241 0 40 HGAB CCCNC(=O)CSc1nnc(COc2ccc(OC)cc2)n1-c1ccccc1 2616808 NUSGQAWXKFFEQQ-UHFFFAOYSA-N 412.515 3.473 0 40 HGAB Cc1cc(NC(=O)CN(C)CC(=O)Nc2cccc(F)c2)ccc1Br 3348411 GTLAFWYDCJEMJB-UHFFFAOYSA-N 408.271 3.406 0 40 HGAB CC[C@@H](C)[C@H](NC(=O)c1cc2cc(Cl)ccc2n1C)C(=O)N1CCC[C@H]1C(=O)O 4000221 CJTXEFHQAZFYBT-PUECVXPYSA-N 419.909 3.052 0 40 HGAB biogenic COc1cc(OC)c2c(C)c(CC(=O)NCCc3ccccc3OC)c(=O)oc2c1 4743184 RLJMANPBRZKKNH-UHFFFAOYSA-N 411.454 3.029 0 40 HGAB CN1CCN(c2ccc(-c3ccc(NC(=O)c4ccc(F)cc4F)cc3)nn2)CC1 5259444 NADZFLOOGPWRGT-UHFFFAOYSA-N 409.440 3.426 0 40 HGAB CC(=O)Nc1ccc(NC(=O)C2CCC(Cn3nnc4ccccc4c3=O)CC2)cc1 5267079 IKEBGEZSTIVEOE-UHFFFAOYSA-N 419.485 3.195 0 40 HGAB CCn1c2ccccc2c2cc(NC(=O)[C@H](C)Sc3nc(N)nc(N)n3)ccc21 5362948 MUSSMQBOEVYIAZ-NSHDSACASA-N 407.503 3.283 0 40 HGAB COc1cccc(NC(=O)[C@@H](NC(=O)N2CCn3c2nc2ccccc23)C(C)C)c1 5451288 XLACWNFTIISLAH-IBGZPJMESA-N 407.474 3.238 0 40 HGAB CCCCOC(=O)[C@H](C)OC(=O)OCCOCCOC(=O)OCC(CC)CC 5552717 ZARDWFRCSAPGGQ-HNNXBMFYSA-N 406.472 3.477 0 40 HGAB CCc1cccc(C)c1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 6152514 BWRBJYWXPUJNQE-UHFFFAOYSA-N 422.934 3.484 0 40 HGAB CCc1ccc(N2C[C@@H](C(=O)OCC(=O)N[C@H]3CCCc4ccccc43)CC2=O)cc1 6619742 BNRZLMPDRJISEF-UGKGYDQZSA-N 420.509 3.339 0 40 HGAB CN(C)[C@H](CNC(=O)CSc1nnc(-c2ccc(F)cc2)n1C)c1ccccc1 6913796 FTEKEPWAIVCDQM-GOSISDBHSA-N 413.522 3.132 0 40 HGAB O=C1CCc2cc(-c3csc(NC(=O)[C@H]4COc5ccccc5O4)n3)ccc2N1 7036883 AXJLLPMCNZMANV-GOSISDBHSA-N 407.451 3.473 0 40 HGAB O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)CCC1=O)c1ccc(Cl)cc1 7881757 XOGVNDKFUVODMP-UHFFFAOYSA-N 405.237 3.383 0 40 HGAB Cc1cc(OC(=O)[C@@H]2CC(=O)N(c3c(C)cccc3C)C2)ccc1N1C(=O)CCC1=O 7928617 LLSDYRJVSSSKBT-QGZVFWFLSA-N 420.465 3.224 0 40 HGAB COc1ccc(Cl)cc1NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(C)cc1 8007688 HXSZMPJACJPWFZ-KRWDZBQOSA-N 408.907 3.449 0 40 HGAB O=C(COC(=O)c1ccc(OC(F)(F)F)cc1)Nc1ccc(N2CCOCC2)cc1 8780402 VDYGPWZHNWUINL-UHFFFAOYSA-N 424.375 3.217 0 40 HGAB CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)C(=O)c1ccc(C)cc1 9220708 CDJXVIYMRDWOGQ-UHFFFAOYSA-N 412.486 3.450 0 40 HGAB CCCCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)NCc1ccc(OC)cc1 11423512 YKTUPEIAKLEBFM-XMMPIXPASA-N 421.497 3.091 0 40 HGAB CCCS(=O)(=O)N1CCc2ccc(NC(=O)COc3ccc(C)cc3)cc2C1 11613179 LZNRILXKJWLUCG-UHFFFAOYSA-N 402.516 3.110 0 40 HGAB O=C(Cn1nc(C(=O)N2CCOCC2)cc1C1CC1)Nc1ccc(Cl)cc1Cl 11929946 KXRIJSCJWQJGGJ-UHFFFAOYSA-N 423.300 3.178 0 40 HGAB COc1ccc(-c2cc3nc([C@@H](C)NC(=O)[C@@H]4CCC[C@H](OC)C4)nn3cn2)cc1 12085083 DAPRARFVTOPTAE-KYJSFNMBSA-N 409.490 3.182 0 40 HGAB COc1ccc(OC)c(CC(=O)N2CCC[C@@H](c3ncncc3-c3cc(C)no3)C2)c1 12128033 MMCKDAQDRMVGOU-MRXNPFEDSA-N 422.485 3.406 0 40 HGAB Cc1ccc(C(=O)CCC(=O)N2CCC[C@@H](c3nn(C)c4nccnc34)C2)cc1C 12365147 KCCPPNMVIBSHDK-GOSISDBHSA-N 405.502 3.349 0 40 HGAB CC(=O)N1CCN(C(=O)CSc2nc3ccccc3n2-c2cccc(C)c2)CC1 12529857 LEVBPURSUCEIPF-UHFFFAOYSA-N 408.527 3.117 0 40 HGAB COC(=O)c1cccc(S(=O)(=O)N(C)Cc2nc3ccccc3n2C(F)F)c1 12553020 JHSZBHMPDRLULF-UHFFFAOYSA-N 409.414 3.039 0 40 HGAB CCOC(=O)N1CCC(NC(=O)CCC(=O)c2ccc(Br)cc2)CC1 12787917 CVHUHSMBTYUWNJ-UHFFFAOYSA-N 411.296 3.149 0 40 HGAB COc1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(Br)c3)C2)c(OC)c1 12983745 MBFXQEVXGBNMGJ-LBPRGKRZSA-N 419.275 3.458 0 40 HGAB CC(=O)N1CCc2cc(NC(=O)C3CCN(C(=O)/C=C/c4ccccc4)CC3)ccc21 12995566 SKORLEYYDPCTHY-JXMROGBWSA-N 417.509 3.486 0 40 HGAB COc1ccc([C@@H](CNC(=O)c2cccc(CN3CCCC3=O)c2)N2CCCC2)cc1 14138966 FYIMCJWQARAJPF-HSZRJFAPSA-N 421.541 3.385 0 40 HGAB O=S(=O)(c1ccc(OCc2cccc(C(F)(F)F)c2)cc1)N1CCOCC1 14198527 XBEUDXVKIRJSPS-UHFFFAOYSA-N 401.406 3.305 0 40 HGAB CSc1ccc(Cl)c(C(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)c1 15742941 MHRLUPLTPRVNBM-UHFFFAOYSA-N 424.975 3.350 0 40 HGAB COc1ccc(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)N[C@H](C)CCCC(C)C)[C@H]4C2=O)cc1 15894232 OLAUHODKTOCQBC-UDLNLZSMSA-N 412.530 3.313 0 40 HGAB O=C1CCCN1c1ccc([C@H](O)CN2CCC3(CC2)C[C@@H](O)c2ccccc2O3)cc1 19374909 USBVQOHNEULINU-FGZHOGPDSA-N 422.525 3.198 0 40 HGAB CCOc1ncccc1C(=O)N1CCC[C@H]1c1nc(N(C)C)ncc1-c1ccncc1 19531431 QUYHHEXIWDSGBB-IBGZPJMESA-N 418.501 3.376 0 40 HGAB COc1cccc(CCc2nnc(NC(=O)c3ccc4oc(=O)n(C)c4c3)s2)c1 19658454 HJBMZXLMDFMMON-UHFFFAOYSA-N 410.455 3.029 0 40 HGAB Cc1cc(Cc2ccc(Cl)cc2)cc(C2CCN(C(=O)CCn3cnnn3)CC2)n1 19691620 UJQOCOQNANHXOQ-UHFFFAOYSA-N 424.936 3.417 0 40 HGAB COCCC(=O)N1CC[C@H](c2ncc(C(=O)Nc3ccc(Cl)cc3)c(C)n2)C1 19766192 IDPNEPDWIGPDOM-AWEZNQCLSA-N 402.882 3.043 0 40 HGAB CCOC(=O)[C@@H]1C(=O)N(CCCOC)c2nc3ccccc3n2[C@@H]1c1ccc(C)cc1 19818317 GXIYVXYNSZYBGX-LEWJYISDSA-N 421.497 3.497 0 40 HGAB O=C([C@@H]1CCCN(S(=O)(=O)Cc2cccc(Cl)c2)C1)N1CCc2ccccc21 19860629 SJNCEAMCUVGJSG-GOSISDBHSA-N 418.946 3.471 0 40 HGAB CCN1CCN(Cc2nc(N)nc(Nc3ccc(Oc4ccccc4)cc3)n2)CC1 19944515 DATBWWSAESXWIV-UHFFFAOYSA-N 405.506 3.127 0 40 HGAB CCOC(=O)N1CCN(c2nc3sc4c(c3c(=O)n2C(C)C)CCCC4)CC1 20745956 GLIPSTXBFLHDSZ-UHFFFAOYSA-N 404.536 3.196 0 40 HGAB Cc1ccc(CN(c2ccc(OCC(=O)NCC(C)C)cc2)S(C)(=O)=O)cc1 22231481 JQXFOYDZOSPKEI-UHFFFAOYSA-N 404.532 3.112 0 40 HGAB COc1ccc(CNC(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1OC 22373906 GTSJJPGNTGFNOZ-UHFFFAOYSA-N 424.423 3.149 0 40 HGAB COc1ccc(-c2oc3ccc(OC)cc3c2C(=O)NCCN2CCOCC2)cc1 22699068 MWBYUYLBOVEAGD-UHFFFAOYSA-N 410.470 3.179 0 40 HGAB COC(=O)/C=C/c1ccc(OC(=O)C[C@H](NC(C)=O)c2ccc(C)cc2)c(OC)c1 22764943 RZVXURFHADATPG-BEBFYNPSSA-N 411.454 3.363 0 40 HGAB C[C@@H]1CCCC[C@H]1NC(=O)CSCc1cc(=O)n2cc(Br)ccc2n1 23412051 IKSZCWOPXJGABN-IUODEOHRSA-N 424.364 3.385 0 40 HGAB COc1ccc(Br)c(C(=O)OCC(=O)NCC2(c3ccccc3)CC2)c1 23962786 UDHVFAXCLJQPKL-UHFFFAOYSA-N 418.287 3.463 0 40 HGAB O=C(N1CCOCC1)N1CCN(Cc2csc(-c3ccc(Cl)cc3)n2)CC1 24496395 WUEOZPCXFXFHMZ-UHFFFAOYSA-N 406.939 3.033 0 40 HGAB COc1cc(NC(=O)Cn2cnc3sc(C)c(C)c3c2=O)c(OC)cc1Cl 24764010 WQDFREHBIYSHIT-UHFFFAOYSA-N 407.879 3.384 0 40 HGAB Cc1ccc(C(=O)Nc2nc(CN3CCCCC3)cs2)cc1NS(C)(=O)=O 24830148 XDNHMTWKFPEGBB-UHFFFAOYSA-N 408.549 3.061 0 40 HGAB Cn1cc(C(=O)N2CCN(C(=O)c3cccc(OC(F)F)c3)CC2)c2ccccc21 27160175 KQMCULZSPJAHQX-UHFFFAOYSA-N 413.424 3.378 0 40 HGAB Cc1ccc(NC(=O)c2ccc(CS(=O)(=O)N3CCOCC3)cc2)cc1Cl 30754629 SAWJCIJSZRQRMZ-UHFFFAOYSA-N 408.907 3.063 0 40 HGAB O=C(CCn1cnc2ccccc2c1=O)Nc1ccnn1Cc1cccc(Cl)c1 32493475 SJXCQRKRJIHZJM-UHFFFAOYSA-N 407.861 3.324 0 40 HGAB Cc1nn(C)c2ncc(NC(=O)c3cn(-c4ccccc4C(F)(F)F)nn3)cc12 32817012 PAVSDJNOJJXYFS-UHFFFAOYSA-N 401.352 3.129 0 40 HGAB CC(C)[C@H](NC(=O)c1cccs1)C(=O)NCCc1cc(Cl)c2c(c1)OCCO2 32854750 NMXDFPLPHANWEZ-KRWDZBQOSA-N 422.934 3.286 0 40 HGAB O=C(NCc1ccccc1OC(F)F)C1CCN(C(=O)NCc2ccco2)CC1 32913129 DKRNMVWFGKWQGU-UHFFFAOYSA-N 407.417 3.119 0 40 HGAB CCOC(=O)N1CCN([C@@H](C)C(=O)Nc2nc(-c3ccc(C)cc3)cs2)CC1 35279499 BIRXKEODDKNHIL-HNNXBMFYSA-N 402.520 3.220 0 40 HGAB COc1ccc(NC(=O)c2c(-n3cccc3)sc(C)c2C)cc1S(N)(=O)=O 39969522 MPCPCMTVYFXLOR-UHFFFAOYSA-N 405.501 3.064 0 40 HGAB C[C@H](OC(=O)c1cccc(OCC(N)=O)c1)C(=O)Nc1cc(Cl)ccc1Cl 40066831 BLKWXERFJKHZLF-JTQLQIEISA-N 411.241 3.042 0 40 HGAB Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)Nc1cccc(OCC(N)=O)c1 40132585 XHBYOHCEXZHOPP-UHFFFAOYSA-N 412.877 3.188 0 40 HGAB COC(=O)c1ccc(CN(C)CN2C(=O)C(=O)c3cc(Cl)cc(Cl)c32)cc1 48149687 WXNGOJMUWCBNIZ-UHFFFAOYSA-N 407.253 3.399 0 40 HGAB O=C(Nc1ccc(F)cc1)NC1CCN(C(=O)c2cc(-c3cccnc3)on2)CC1 48234722 QDBKWNJTBKNLGB-UHFFFAOYSA-N 409.421 3.302 0 40 HGAB Cn1c(=O)n(CCC(=O)NCc2cccnc2Oc2cccc(F)c2)c2ccccc21 48286855 WXSCZDPRHFMFMN-UHFFFAOYSA-N 420.444 3.373 0 40 HGAB CC(=O)Nc1cccc(NC(=O)Cn2c(-c3cccc(Cl)c3)nc(C)cc2=O)c1 57526974 DIMJCBFSYJZEKP-UHFFFAOYSA-N 410.861 3.469 0 40 HGAB Cc1ccc(CSc2nnc(NC(=O)NCCNc3ncccn3)s2)cc1 58026290 BTEDCNRJKVVMRH-UHFFFAOYSA-N 401.521 3.162 0 40 HGAB O=C(CNC(=O)N1CCN(c2cccc(Cl)c2)CC1)Nc1ccc2[nH]ccc2c1 61719763 XXWZIZCAOHYILA-UHFFFAOYSA-N 411.893 3.292 0 40 HGAB CCOC(=O)/C(=C\Nc1ccc(C(=O)OC)cc1)S(=O)(=O)c1ccc(C)cc1 67340509 PQQJCEWXHBKSRJ-QGOAFFKASA-N 403.456 3.072 0 40 HGAB CC(C)n1c([C@H]2CCCN2CC(=O)NC(=O)NCC(F)(F)F)nc2ccccc21 72308899 NNKHRWCKOPQUPW-OAHLLOKOSA-N 411.428 3.142 0 40 HGAB CCOc1ccccc1CN1CCN(c2c(F)cccc2[C@H](O)c2nccn2C)CC1 72340549 YWEBJJGCSUVDFM-QHCPKHFHSA-N 424.520 3.362 0 40 HGAB COC(C)(C)C(=O)N1CC[C@H](c2c(C(=O)N3CCOCC3)sc3ccccc23)C1 72352352 HVKQROQKQPQVQF-HNNXBMFYSA-N 416.543 3.115 0 40 HGAB CC(=O)N1CCC(C(=O)N2CCCC[C@H]2c2nc(N)ncc2-c2ccccc2)CC1 72377158 WZLYWKCSSQRVTK-FQEVSTJZSA-N 407.518 3.038 0 40 HGAB CC(C)CCn1c(=O)[nH]c2cc(-c3nc(-c4ccc5c(c4)OCO5)no3)ccc2c1=O 85601960 OBRXVZNBYKXYNW-UHFFFAOYSA-N 420.425 3.182 0 40 HGAB COC(=O)Cn1nc(C)c(CNC(=O)[C@H]2C[C@@H]2c2cccc(C(F)(F)F)c2)c1C 89512623 LFPCMSGPUKCERZ-CVEARBPZSA-N 409.408 3.112 0 40 HGAB CC(C)Cn1c(CCCNC(=O)Cc2n[nH]c(=O)c3ccccc23)nc2ccccc21 96232065 VCUURPVVEVPAKC-UHFFFAOYSA-N 417.513 3.220 0 40 HGAB CCOC(=O)c1nc2ccccc2nc1N1CCCN(C(=O)OC(C)(C)C)CC1 97463420 QDNSVXJMRAKUTH-UHFFFAOYSA-N 400.479 3.254 0 40 HGAB COCCn1/c(=N/C(=O)c2ccc(Cl)cc2)sc2cc(S(C)(=O)=O)ccc21 100872729 LZWZZVFFXCJTAU-ZZEZOPTASA-N 424.931 3.147 0 40 HGAB Cc1cc(NC(=O)[C@H](C)N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc(C)c1Br 102088179 OMNLLCIIGKQJNP-YOPIWALVSA-N 417.303 3.200 0 40 HGAB CCOc1ccc(NC(=O)[C@H](CC(C)C)N2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1OC 102952151 UDXLSOKDQGPVSA-KSZLIROESA-N 414.502 3.398 0 40 HGAB Cc1cccc(N(CC(=O)NCc2cccc(C(F)(F)F)c2)S(C)(=O)=O)c1 222885513 OKHMDINHSWNJHK-UHFFFAOYSA-N 400.422 3.096 0 40 HGAB CC1=NS(=O)(=O)c2cc(C(=O)Nc3ccc4c(c3)OCO4)ccc2N1CC(C)C 223120838 OLIMYALELGSQIB-UHFFFAOYSA-N 415.471 3.251 0 40 HGAB C[C@H](CC(C)(C)c1ccccc1)NC(=O)[C@@H](c1ccccc1)N(C)S(C)(=O)=O 223764957 VRBSGYAUMSWVLW-YLJYHZDGSA-N 402.560 3.492 0 40 HGAB CC[C@@H](C(=O)NCCOc1ccc(C)cc1C)N(c1ccc(F)cc1)S(C)(=O)=O 224310625 OSZSSNAEHOHUAU-IBGZPJMESA-N 422.522 3.182 0 40 HGAB O=C(NCC1=CCCCC1)[C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 224384464 VMZWEYWGIXYWTG-NRFANRHFSA-N 404.576 3.278 0 40 HGAB Cc1cccc(C)c1N(CCCC(=O)NCCc1ccc(F)cc1)S(C)(=O)=O 224652134 IXNLRMOMYHHPCY-UHFFFAOYSA-N 406.523 3.348 0 40 HGAB COc1ccc(-n2c(=O)[nH]c3cc(-c4nc(-c5ccccc5)no4)ccc3c2=O)cc1 225547437 INGOLNGZFQATJF-UHFFFAOYSA-N 412.405 3.405 0 40 HGAB CCCn1c(=O)sc2cc(S(=O)(=O)NCCCN3CCCCCC3)ccc21 225727682 GSLRBZFZIFRYCT-UHFFFAOYSA-N 411.593 3.017 0 40 HGAB COc1cc2c(cc1S(=O)(=O)NCc1nc(-c3cccs3)no1)CCCC2 225753477 PVVUUNBKXDHGMZ-UHFFFAOYSA-N 405.501 3.164 0 40 HGAB COc1ccc2c(c1)OC1(CCN(C(=O)c3ccc4c(c3)OCCO4)CC1)CC2=O 225820036 HKJHBWHAQIVOHB-UHFFFAOYSA-N 409.438 3.107 0 40 HGAB CC1CCN(c2cc(Sc3ncccn3)nc(NC(=S)NC(C)C)n2)CC1 225888770 WGCQOAKBSNOPBV-UHFFFAOYSA-N 403.581 3.349 0 40 HGAB COc1ccc(NC(=O)[C@@]23C[C@@H]2CN(c2c(C)cccc2C)S3(=O)=O)c(C)c1 225939647 UTIVTIYWBBLECS-IIBYNOLFSA-N 400.500 3.168 0 40 HGAB Cc1cc(NC(=O)CN2C(=O)N[C@]3(C2=O)[C@@H](C)CCC[C@H]3C)ccc1N1CCCC1 245237683 QWCZNQHKNHSWKE-DTVZVWBHSA-N 412.534 3.280 0 40 HGAB COc1ccc(OC)c(N([C@H](C)C(=O)N[C@H](C)c2ccc(C)cc2)S(C)(=O)=O)c1 260588284 HVUXYQNQOWKDSN-HZPDHXFCSA-N 420.531 3.044 0 40 HGAB COc1ccccc1[C@@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1 260899545 LZRJFPKNCXYCCO-MSOLQXFVSA-N 416.543 3.282 0 40 HGAB CN1CCN(Cc2ccccn2)C[C@H]1c1nnn2cc(-c3cccc(F)c3)ccc12 306128889 HNTRAJRNQIBZBH-QFIPXVFZSA-N 402.477 3.419 0 40 HGAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cccc(SC)c2)cc1Cl 408557286 GIEWPVGOFDMEIL-NSHDSACASA-N 414.936 3.376 0 40 HGAB CCOCCCNC(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccccc1 409129729 LYWUOXWPHIKAEP-UHFFFAOYSA-N 404.532 3.042 0 40 HGAB CC(C)(C(=O)Nc1ccc(-n2nnnc2O)cc1)c1cccc(Br)c1 507874618 KUEFUNCHBWAPIR-UHFFFAOYSA-N 402.252 3.047 0 40 HGAB O=C(NCCc1cc2ccccc2[nH]1)N[C@H]1CCCN(C(=O)Cc2ccccc2)C1 511525396 ZSDJGOBVZJGCFA-NRFANRHFSA-N 404.514 3.243 0 40 HGAB O=S(=O)(CCCn1c(O)nc2ccccc21)Cc1cc(Cl)c2c(c1)OCCO2 514383894 MJOAHFVFNGESLC-UHFFFAOYSA-N 422.890 3.172 0 40 HGAB CCOc1ccc(-n2c(SCC(=O)N3CCCC3)nnc2-c2cccnc2)cc1 796425 FKDZXMBTOYLAQV-UHFFFAOYSA-N 409.515 3.443 0 40 HGAB Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccccc3)N3CCCCC3)cc2c1 889013 CVSPEMDCNMCMFP-QFIPXVFZSA-N 414.513 3.447 0 40 HGAB CCCn1c(SCC(=O)Nc2cc(OC)cc(OC)c2)nnc1-c1cccnc1 1362413 VJRMHCIINCEILZ-UHFFFAOYSA-N 413.503 3.498 0 40 HGAB O=C(OCc1nnc(-c2ccc(Cl)cc2)o1)c1ccc2c(=O)n3c(nc2c1)CCC3 3307860 DKXGPEHNTWBNMV-UHFFFAOYSA-N 422.828 3.403 0 40 HGAB CCOC(=O)c1c(NC(=O)[C@@H](C)Sc2nnc(N)s2)sc2c1CCCC2 3575721 JVBZYEATIUHGJW-MRVPVSSYSA-N 412.562 3.357 0 40 HGAB COc1cccc(NC(=S)NCCc2cc3c(OC)ccc(OC)c3[nH]c2=O)c1 4225460 WKDPVBSJYOOWOL-UHFFFAOYSA-N 413.499 3.083 0 40 HGAB COc1ccc(N2C(=O)/C(=C\c3ccco3)N=C2S[C@@H](C)C(N)=O)cc1Cl 4514869 FIKXFLWVKVXQQZ-RSYJBZMQSA-N 405.863 3.292 0 40 HGAB COc1ccc(C)cc1S(=O)(=O)N[C@@H](C)C(=O)Nc1ccccc1C(F)(F)F 4835017 LQSJQCXBLJQZFC-LBPRGKRZSA-N 416.421 3.328 0 40 HGAB O=C(/C=C/c1cccc(F)c1)Nc1ccc(N2CCOCC2)cc1N1CCOCC1 4896499 ULVSESKDBBXDFL-QPJJXVBHSA-N 411.477 3.151 0 40 HGAB C[C@@H]1CCC[C@@H](NC(=O)COC(=O)CNC(=O)c2ccc(Cl)cc2Cl)[C@@H]1C 4994296 DSYKRDJVJRYPEY-XHBSWPGZSA-N 415.317 3.207 0 40 HGAB O=C(c1ccc(F)cc1)[C@@H]1[C@@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@H]2[C@H]2CCCN12 5307849 TVDYMEYMPBZKCE-HCXYKTFWSA-N 412.848 3.314 0 40 HGAB CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)S(=O)(=O)c1ccc(Cl)s1 5950492 LLAWBJCGMAVQBC-UHFFFAOYSA-N 415.924 3.009 0 40 HGAB CN(C)S(=O)(=O)c1cccc(CN2C(=O)c3cc(Cl)c(Cl)cc3C2=O)c1 6083499 IREQGWGRPOBWRB-UHFFFAOYSA-N 413.282 3.040 0 40 HGAB C[C@H](Nc1cccc(S(=O)(=O)NCc2ccco2)c1)C(=O)Nc1ccccc1F 6582280 HHHBHCCMCWKIDT-AWEZNQCLSA-N 417.462 3.336 0 40 HGAB COc1ccccc1NS(=O)(=O)c1cc(NC(=O)C2CC2)ccc1N1CCCC1 6623390 JGTONVKCKZYCEU-UHFFFAOYSA-N 415.515 3.445 0 40 HGAB COc1cccc(CN(C(=O)c2ccc(OC(C)C)cc2)[C@H]2CCS(=O)(=O)C2)c1 6810913 UGRBZSJIIYCLPY-IBGZPJMESA-N 417.527 3.312 0 40 HGAB CCCOc1ccc(C(=O)O[C@H](C)C(=O)c2ccc(NS(C)(=O)=O)cc2)cc1 6981086 DOBMDOFGSYKEPA-CQSZACIVSA-N 405.472 3.275 0 40 HGAB COc1cccc(C(=O)Nc2ccc(N3CCN(C(=O)C(F)(F)F)CC3)cc2)c1 7496713 WOSORCPJSVNUAP-UHFFFAOYSA-N 407.392 3.158 0 40 HGAB O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1n[nH]c(=O)c2ccccc12 7947647 BLPXLCCRKQRGOZ-UHFFFAOYSA-N 400.442 3.160 0 40 HGAB O=C(NCc1ccccc1)[C@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(CC2CCCCC2)nn1 8298172 SBVDSSSFZSGRBG-QTJGBDASSA-N 421.589 3.428 0 40 HGAB biogenic,in-vitro COc1ccc(OCCN(C)S(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1 8512446 MMWKTQRFLJTYHM-UHFFFAOYSA-N 405.394 3.293 0 40 HGAB COc1ccc2cc([C@]3(C)NC(=O)N(Cc4cn5ccccc5n4)C3=O)ccc2c1 8710072 JQWRNYMCSHYOCJ-QHCPKHFHSA-N 400.438 3.463 0 40 HGAB Cc1ccccc1N1CCn2c1nc1c2c(=O)n(Cc2cccc(Cl)c2)c(=O)n1C 9243362 JFLXYSFLNQJZON-UHFFFAOYSA-N 421.888 3.059 0 40 HGAB CC(C)c1ccc(-n2ccnc2SCC(=O)NCc2nnc3ccccn23)cc1 9377473 AKOVYVJEEHVLSW-UHFFFAOYSA-N 406.515 3.447 0 40 HGAB COc1ccccc1-c1nnc(S[C@H](C(=O)N2CCCC2)c2ccccc2)n1N 9417771 BNMJGBRYGJEJLZ-SFHVURJKSA-N 409.515 3.123 0 40 HGAB Cc1cc(CSc2ncccc2C(=O)NCCc2ccc3c(c2)OCCO3)no1 9575409 JZMJUWFKZZWEMA-UHFFFAOYSA-N 411.483 3.414 0 40 HGAB CCOc1ccc([C@@H](C)NC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)cc1 10978343 BOAPQVSCEYDQTN-OAHLLOKOSA-N 402.516 3.289 0 40 HGAB COc1cc(OC)c(C2=CCN(Cc3cc(=O)n4ccsc4n3)CC2)c(OC)c1 11060910 NYHCJZCGAHWADY-UHFFFAOYSA-N 413.499 3.071 0 40 HGAB COc1cc(NC(=O)C[C@H]2CSc3nc(C(C)C)cc(=O)n32)cc(OC)c1OC 11613598 CTZOGUQTTMTCRP-ZDUSSCGKSA-N 419.503 3.068 0 40 HGAB O=C(C1CCCCC1)N1CCC[C@H]1Cn1nc(-c2ccc3c(c2)OCCO3)ccc1=O 12144926 MLTYLACXFCPUMC-IBGZPJMESA-N 423.513 3.253 0 40 HGAB CCn1/c(=N\C(=O)CCS(=O)(=O)c2ccc(F)cc2)sc2cc(OC)ccc21 12237962 LWSZXNCZJUHZMW-XUTLUUPISA-N 422.503 3.162 0 40 HGAB Cc1nc(SCC(=O)N2CCC[C@@H](c3nc4ccccc4cc3C(N)=O)C2)oc1C 12256225 JFMYBAQCSDFHCJ-MRXNPFEDSA-N 424.526 3.437 0 40 HGAB CCc1ccc(NC(=O)CSc2nc3c(=O)[nH]cnc3n2-c2ccccc2)cc1 12413377 ASBUALZVILJXPA-UHFFFAOYSA-N 405.483 3.402 0 40 HGAB biogenic,in-vitro CCCNC(=O)CSC1=NS(=O)(=O)c2ccccc2N1Cc1ccccc1 12414801 WDZABGSBSSXYHH-UHFFFAOYSA-N 403.529 3.011 0 40 HGAB C[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(N2CCCCC2)cc1 12548925 CQNOCLBMIKXORR-HNNXBMFYSA-N 405.495 3.122 0 40 HGAB O=C(O)[C@H]1CC=CC[C@H]1C(=O)Nc1ccccc1NS(=O)(=O)c1cccs1 12605723 ZNZHVJHJFLPPAI-OLZOCXBDSA-N 406.485 3.154 0 40 HGAB Cc1ccc(Oc2ccc(OS(=O)(=O)c3cccc(S(N)(=O)=O)c3)cc2)cc1 12745154 RQWZFADQTIIPQD-UHFFFAOYSA-N 419.480 3.202 0 40 HGAB Cc1cccc(OCCNC(=O)c2cc(S(=O)(=O)NC(C)C)ccc2Cl)c1 12753250 ZLHFZFBEKDCZQO-UHFFFAOYSA-N 410.923 3.144 0 40 HGAB O=C(NCCc1c[nH]c2ccccc12)c1cccc(S(=O)(=O)N2CCCCC2)c1 12825295 NHDJJVIZEKCSHK-UHFFFAOYSA-N 411.527 3.315 0 40 HGAB COc1ccc(Br)cc1CN(C)S(=O)(=O)N1C[C@@H](C)C[C@@H](C)C1 12853321 JVZJDOGNOFKSAB-BETUJISGSA-N 405.358 3.112 0 40 HGAB CC1(C)CC(=O)c2c(O)cc(OCC(=O)NCC3(CC(=O)O)CCCCC3)cc2O1 12891577 UQOVIMOWIFBSSG-UHFFFAOYSA-N 419.474 3.056 0 40 HGAB biogenic CCCN(Cn1nc(Nc2ccccc2F)sc1=S)[C@@H]1CCS(=O)(=O)C1 12924355 FHKNYLDALLRIIL-GFCCVEGCSA-N 416.569 3.413 0 40 HGAB O=C(CSc1nnc2n1CCCCC2)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 12983847 IUAPQQQEBLIUNY-MRXNPFEDSA-N 414.531 3.232 0 40 HGAB CCOC(=O)c1nn(-c2ccccc2C)c(=O)cc1NC(=O)c1ccccc1OCC 13010231 QOUGMFRQERQNML-UHFFFAOYSA-N 421.453 3.369 0 40 HGAB COc1c(C)cc(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)C2CC2)CC3)cc1C 13696983 YQODLHDCRFAALS-UHFFFAOYSA-N 400.500 3.412 0 40 HGAB CC[C@@H](C(=O)Nc1ccc(C(=O)O)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O 13715039 LJKLTNPEDVEPPT-INIZCTEOSA-N 410.879 3.222 0 40 HGAB CCCCCc1nnc(NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)s1 14714386 FBCWARBBFJHYEU-UHFFFAOYSA-N 416.956 3.183 0 40 HGAB COc1ccc(OC)c([C@H]2CCCN2C(=O)c2sc3ncn(C)c(=O)c3c2C)c1 15828818 JCBYGAZBTMYGJS-OAHLLOKOSA-N 413.499 3.298 0 40 HGAB CC(=O)Nc1cccc(NC(=O)CCc2ccc(S(=O)(=O)N3CCCC3)cc2)c1 16959772 ADKRAEHFVSZYAL-UHFFFAOYSA-N 415.515 3.001 0 40 HGAB CCOC(=O)c1cnn2c(-c3cccc(N4C(=O)[C@H]5CCCC[C@H]5C4=O)c3)ccnc12 17091401 GXRROEJDEYZDRP-CALCHBBNSA-N 418.453 3.253 0 40 HGAB NC(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)CCN(C(=O)Cc2ccc(F)cc2)C1 19333139 RXLGGPCPXVLGRN-VWLOTQADSA-N 417.484 3.377 0 40 HGAB Cc1ccc([C@H](C)C(=O)N2CCC(c3nc(CN(C)C)cc(N(C)C)n3)CC2)cc1 19710164 WHDJTXSAUKEYEP-SFHVURJKSA-N 409.578 3.422 0 40 HGAB CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)CN1CCN(CC)CC1 19790489 UVKYRPKBONOEQW-UHFFFAOYSA-N 419.522 3.307 0 40 HGAB Cc1ccc(C)c(N(CC(=O)Nc2cccc(OC(C)C)c2)S(=O)(=O)N(C)C)c1 20244897 DLNVTESEEXPBKV-UHFFFAOYSA-N 419.547 3.342 0 40 HGAB CCOc1cccc(N(CC(=O)Nc2ccc(OC)c(Cl)c2)S(C)(=O)=O)c1 22387906 GNSZCYBLXHBYDC-UHFFFAOYSA-N 412.895 3.152 0 40 HGAB Cc1ccc(NC(=O)Cc2nc(CN3CCN(C(=O)c4ccco4)CC3)cs2)cc1 23425354 FNMYWZUQZVACEC-UHFFFAOYSA-N 424.526 3.184 0 40 HGAB Cc1cc(NC(=O)[C@H](Nc2ccc(NS(C)(=O)=O)cc2)c2ccccc2)no1 23628551 UQGHIJFQAQZRGU-GOSISDBHSA-N 400.460 3.146 0 40 HGAB c1ccc(CN2CCO[C@H](CNc3ncnc4c3cnn4-c3ccccc3)C2)cc1 24528331 WJHFYIVROHMRLP-HXUWFJFHSA-N 400.486 3.128 0 40 HGAB CCc1cccc(N2C[C@@H](C(=O)N(C)CC(=O)Nc3ccccc3CC)CC2=O)c1 24841676 XIQBDWJCHXNVKQ-IBGZPJMESA-N 407.514 3.261 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)NCCc2ccc(OC)cc2)cc1 28468130 FYTFCCSFQSKICL-XNTDXEJSSA-N 416.543 3.098 0 40 HGAB Cn1c(SCCS(=O)(=O)c2ccc(Cl)cc2)nc2ccsc2c1=O 29906897 UCJCYRHNLWITKR-UHFFFAOYSA-N 400.934 3.214 0 40 HGAB CCN1CCN(C(=O)COc2ccc(-c3nc(-c4ccc(C)cc4)no3)cc2)CC1 32579004 GDWUHVJFKNEIRE-UHFFFAOYSA-N 406.486 3.255 0 40 HGAB O[C@H](CSc1nnc(N2CCCCC2)n1C[C@@H]1CCCO1)c1ccc(F)cc1 32900860 JSQPOJUONRRAPV-ZWKOTPCHSA-N 406.527 3.412 0 40 HGAB O=C(OCC(=O)N1CCOCC1)c1c2c(nc3ccccc13)/C(=C\c1ccco1)CC2 33797299 HHLOVGGFXVUVSP-PEZBUJJGSA-N 418.449 3.330 0 40 HGAB O=C(N[C@@H]1CCCc2ccccc21)C1CCN(c2nnnn2-c2ccccc2)CC1 35312054 JHJSHPXJUMOGNW-OAQYLSRUSA-N 402.502 3.073 0 40 HGAB CCOC(=O)C1=C(CN2CCCc3cc(F)cc(F)c32)NC(=O)N[C@H]1c1ccco1 36754222 NOMCQGSMBLIFSR-SFHVURJKSA-N 417.412 3.182 0 40 HGAB O=C(NCc1cccc(CN2CCOCC2)c1)c1ccc(CN2CCCCC2)cc1 38831638 AZRCGSAIKQFNSE-UHFFFAOYSA-N 407.558 3.435 0 40 HGAB CCc1cccc2c(/C=C3\NC(=S)N(CC)C3=O)cn(CC(=O)N(CC)CC)c12 39556526 XVWJSVVUSOQDHH-PDGQHHTCSA-N 412.559 3.150 0 40 HGAB C[C@H]1Oc2ccccc2N(CC(=O)Nc2ccc(Sc3nncs3)cc2)C1=O 40150646 BJSCQKVOKNKYNK-GFCCVEGCSA-N 412.496 3.442 0 40 HGAB O=C(c1ccccc1-n1cccn1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 44311674 OMPHVYWKYPXQDD-UHFFFAOYSA-N 401.392 3.249 0 40 HGAB CC1CCC2(CC1)NC(=O)N(CC(=O)Nc1ccc(F)cc1Br)C2=O 45990185 MJYJBGXDMDMLDS-UHFFFAOYSA-N 412.259 3.027 0 40 HGAB CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)C2CCN(C(=O)c3ccco3)CC2)c1 48343554 AVMJDIPKLVLVSG-MRXNPFEDSA-N 411.502 3.433 0 40 HGAB O=C(NCCc1ccc(OC(F)F)cc1)[C@@H]1CCCN1C(=O)Cc1cccs1 55131917 YGIPDTOIXGAOIL-KRWDZBQOSA-N 408.470 3.242 0 40 HGAB CSc1nnc(CN2C(=O)N[C@@](Cc3ccccc3)(c3ccccc3)C2=O)s1 58378154 YWUCKVAQLCPSTQ-FQEVSTJZSA-N 410.524 3.450 0 40 HGAB COc1ccccc1C(=O)Nc1ccc2c(c1)nc(CN(C)C(=O)NC(C)C)n2C 61718057 SVLNKFDRUYVNOJ-UHFFFAOYSA-N 409.490 3.384 0 40 HGAB Cc1cc(N2CCSCC2)ccc1NC(=O)Cn1nc(-c2ccccc2)ccc1=O 65037109 VSQCOTFEFZLWDN-UHFFFAOYSA-N 420.538 3.411 0 40 HGAB Cc1ccc(C)n1C1CCN(C(=O)CNC(=O)c2cccc(Br)c2)CC1 65476635 WYTBLLQBGSTLBP-UHFFFAOYSA-N 418.335 3.461 0 40 HGAB Cc1cccc(NC(=O)[C@@H]2CSCN2C(=O)c2ccc(N3CCCC3)nc2)c1C 84218676 ZHBAGOAIDITFIX-IBGZPJMESA-N 410.543 3.452 0 40 HGAB O=C(OCc1nc(Cc2ccccc2)no1)[C@H]1CCc2[nH]nc(C(F)(F)F)c2C1 95466474 GFOWKDUGWGOHMQ-LBPRGKRZSA-N 406.364 3.251 0 40 HGAB Cn1cc(-c2cnc(N3CCCC3)nc2)cc1C(=O)N1CCN(c2ccccc2)CC1 96147577 CIGYFQYKAUGLNI-UHFFFAOYSA-N 416.529 3.045 0 40 HGAB CCCCCCNC(=O)[C@H]1[C@@H]2C=C[C@]3(CN(CCc4c[nH]c5ccccc45)C(=O)[C@H]13)O2 100785198 VHLZIJNLSWSJQK-DEJKCJRPSA-N 421.541 3.189 0 40 HGAB Cc1cccc(C)c1N1C(=O)C[C@H](N2CCN(Cc3ccc(Cl)s3)CC2)C1=O 101490511 IBXSANWQGOKPMF-KRWDZBQOSA-N 417.962 3.468 0 40 HGAB CN1CCN(S(=O)(=O)c2ccccc2OC(F)(F)F)[C@H](c2ccccc2)C1 105550414 SATNHTPMAZAZRG-HNNXBMFYSA-N 400.422 3.263 0 40 HGAB COC(=O)[C@H]1C[C@H](Oc2ccccc2F)CN1C(=O)COc1ccc(Cl)cc1 206797100 PAEFUSFSYQUCJP-DOTOQJQBSA-N 407.825 3.079 0 40 HGAB COc1cccc(N([C@H](C)C(=O)Nc2ccc(F)c(Cl)c2)S(C)(=O)=O)c1 220168085 SAZMMIBSFWKQOE-LLVKDONJSA-N 400.859 3.281 0 40 HGAB CCCc1ccc(OCCNC(=O)CN(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1 223627162 CIRHSKZQAHCQJG-UHFFFAOYSA-N 418.559 3.217 0 40 HGAB COC(=O)c1cc(S(=O)(=O)N[C@H]2CC(C)(C)Oc3cc(OC)ccc32)ccc1C 223930995 NAQPGMNOEBHQAM-SFHVURJKSA-N 419.499 3.371 0 40 HGAB CCOc1ccc(N2C[C@H](C(=O)NCCCCN3CCCC[C@H]3C)CC2=O)cc1 245225263 QXHIVMDJNHJBNT-RTBURBONSA-N 401.551 3.209 0 40 HGAB COc1ccc2c(c1)O[C@@]1(C[C@H]3CC[C@H]1C[C@@H]3C(=O)NCc1ccccc1F)NC2=O 247917623 BQMNYYYNDCZDBI-ZCJJYNRISA-N 424.472 3.405 0 40 HGAB O=C(c1cc2ccccc2[nH]1)N1CCC[C@H](Cc2n[nH]c(=O)n2-c2ccccc2F)C1 252550823 SYHQEVBHRJWZPN-OAHLLOKOSA-N 419.460 3.276 0 40 HGAB CN(Cc1ccc(F)cc1)C[C@@]1(O)CCCN(C(=O)CC2(O)CCCCC2)CC1 257218677 DEBZKYDHWBGJNM-HSZRJFAPSA-N 406.542 3.086 0 40 HGAB Cc1cc(Nc2nc(C)cc(C)n2)cc([C@@H]2CN(C(=O)c3ccccn3)CCO2)n1 257237578 HHCSGNCILAHMDN-FQEVSTJZSA-N 404.474 3.149 0 40 HGAB Cc1nn(C)cc1C(=O)N1CC[C@H](Oc2ccccc2)[C@@H](CC(=O)N2CCCCC2)C1 257242578 IDEIXEVPEBHNII-UGKGYDQZSA-N 424.545 3.041 0 40 HGAB O=C(NCc1ccccc1)c1nnc2n1C[C@H]1CN(Cc3ccc(Cl)cc3)C[C@H]1C2 306132053 KWOZQSAPOSINPM-RTBURBONSA-N 421.932 3.166 0 40 HGAB CC(C)CN1CCC2(CCCN(C(=O)c3ccccc3)[C@@H]2CNC(=O)N(C)C)CC1 306141132 VLYIMKJVVGNCSU-OAQYLSRUSA-N 414.594 3.301 0 40 HGAB CCCCc1nnc(S[C@H](C)C(=O)NCCc2ccc(OC)c(OC)c2)n1CC 408561226 ZKLVETLECQVGLO-OAHLLOKOSA-N 420.579 3.497 0 40 HGAB O=C(Cn1cc(C(=O)C(=O)N2CCCCC2)c2ccccc21)NCc1ccccc1F 408573004 SCYPVVCMWIKUEW-UHFFFAOYSA-N 421.472 3.292 0 40 HGAB O=C(NCc1ccccc1Cl)C(=O)Nc1ccccc1C(=O)NCc1ccco1 408709764 WRKWUANYRBCACT-UHFFFAOYSA-N 411.845 3.118 0 40 HGAB O=C(N[C@H]1C(=O)N/[N+](=C\c2ccccc2Cl)[C@H]1c1ccccc1)c1ccccc1 409060047 VAKLZXHPWMTFTJ-NAGXTHEASA-O 404.877 3.356 0 40 HGAB COc1ccc(CNC(=O)c2ccccc2N(C)S(=O)(=O)c2ccccc2)cc1 409330992 NVOGKSPNOXXNHA-UHFFFAOYSA-N 410.495 3.450 0 40 HGAB COc1ccc(C)cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(F)cc2F)C1 409392579 RQFLRKNGLDIYBU-AWEZNQCLSA-N 424.469 3.321 0 40 HGAB Cc1noc2nc(-c3cccc(C(F)(F)F)c3)cc(C(=O)N3CC[C@@H](C(N)=O)C3)c12 606366276 BKZOWXFYQVUURR-GFCCVEGCSA-N 418.375 3.164 0 40 HGAB Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)Nc1ccccc1NC(=O)NC(C)C)C2=O 1136245184 FBRDNMDSOMZWKY-CQSZACIVSA-N 408.458 3.148 0 40 HGAB CC(C)(C)OC(=O)C[C@@H]1C[C@H](CCNC(=O)CCCn2cccc2)OC(C)(C)O1 1565519897 LJLWLEKPWCBNGR-ROUUACIJSA-N 408.539 3.417 0 40 HGAB biogenic COc1ccc(CN2CC3(CCN(C(=O)c4cccc(Cl)n4)CC3)CC2=O)cc1 1565554191 LTKXSYAUKKYGHC-UHFFFAOYSA-N 413.905 3.399 0 40 HGAB Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccc(F)cc3)N3CCCC3)cc2c1 907660 QCYONIKXGLCGJD-NRFANRHFSA-N 418.476 3.196 0 40 HGAB O=S1(=O)C=C[C@H](N(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)C1 1280993 AINSWULKPYMMND-HNNXBMFYSA-N 418.323 3.499 0 40 HGAB COc1ccc(Br)c(C(=O)O)c1OS(=O)(=O)c1ccc(C)cc1 1859105 HXZPTSMFAYWDCG-UHFFFAOYSA-N 401.234 3.232 0 40 HGAB COc1ccc(NC(=O)CSc2nc3sc(C)c(C)c3c(=O)n2C)cc1OC 2382599 YJFWAYMUQHNJKE-UHFFFAOYSA-N 419.528 3.360 0 40 HGAB COc1ccc(Cc2nnc(NC(=O)COc3ccc(F)cc3)s2)cc1OC 2448563 SKQKVSMWIQBEIP-UHFFFAOYSA-N 403.435 3.303 0 40 HGAB O=C(CSc1nc2c(c(=O)n1-c1ccc(F)cc1)SCC2)Nc1nccs1 2459490 SIZBZVUYSLLPFU-UHFFFAOYSA-N 420.516 3.207 0 40 HGAB CC(=O)c1ccc(NC(=O)COC(=O)c2ccccc2I)cc1 3391560 HTSBLZBUTSJVLY-UHFFFAOYSA-N 423.206 3.289 0 40 HGAB COc1ccccc1C(=O)N1CCC(N2CCN(c3ccccc3OC)CC2)CC1 4109087 PULHLXJAUJECFX-UHFFFAOYSA-N 409.530 3.131 0 40 HGAB CCCCn1c(=O)c2oc3ccccc3c2n(CC(=O)NCc2ccc(C)cc2)c1=O 4316011 ORGBGBHFJMTCGL-UHFFFAOYSA-N 419.481 3.334 0 40 HGAB CCOC(=O)c1ccc(NC(=O)c2cccn(OCc3ccccc3F)c2=O)cc1 4326123 LGZBARRMWAEFMD-UHFFFAOYSA-N 410.401 3.045 0 40 HGAB CCCN(CC1CC1)C(=O)CN1C(=O)N[C@@](C)(c2ccc(Cl)cc2Cl)C1=O 4513708 USCKTRTUPXPABL-IBGZPJMESA-N 412.317 3.409 0 40 HGAB Cc1cc(NC(=O)CCN2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)c(C)cc1Br 4545663 OVBNRQXQFWOFMS-WVMBZCLNSA-N 417.303 3.202 0 40 HGAB Cc1ccc([C@H](C(=O)NC(C)(C)C)N(C[C@H]2CCCO2)C(=O)c2csnn2)cc1 4965266 JKHPWLWIUDJMAS-SJLPKXTDSA-N 416.547 3.124 0 40 HGAB CC(C)(C)c1ccc(-n2c(=O)[nH]c3c(C(N)=O)nc(-c4ccccc4F)nc32)cc1 5143476 NCBKVKLFYSCTFE-UHFFFAOYSA-N 405.433 3.311 0 40 HGAB C[C@H](OC[C@@H](O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)c1ccc(Cl)cc1 7195414 WSPMRBQEYDSYBB-SDYXESRWSA-N 414.889 3.172 0 40 HGAB COc1ccccc1CNC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C 7306237 FNVYWMINLOOHPN-UHFFFAOYSA-N 402.516 3.108 0 40 HGAB CN(CC(=O)Nc1c(Cl)cccc1Cl)CC(=O)N1CCc2ccccc2C1 8152463 PCANSSIHHOOYPH-UHFFFAOYSA-N 406.313 3.449 0 40 HGAB O=C(CCCCCNS(=O)(=O)c1ccc2c(c1)OCCO2)Nc1ccc(F)cc1 8291876 ULIKJYRQBSOINP-UHFFFAOYSA-N 422.478 3.074 0 40 HGAB CC[C@@H](C)c1ccc(NC(=O)CSc2nnc(-c3n[nH]c4c3CCC4)n2N)cc1 9087484 WRKPRKRQTXDWMD-GFCCVEGCSA-N 411.535 3.115 0 40 HGAB Cc1cc(C)cc(NC(=O)CSc2nc3ncccc3c(=O)n2C[C@@H]2CCCO2)c1 9830442 BKIUKHPJJIQDQP-KRWDZBQOSA-N 424.526 3.318 0 40 HGAB O=C(N[C@@H]1CCOc2ccccc21)c1cccc(S(=O)(=O)NCc2ccco2)c1 9949947 SQATVTPMZFMDGE-LJQANCHMSA-N 412.467 3.012 0 40 HGAB O=c1c(Cl)c(N2CCN(c3ncnc4sccc34)CC2)cnn1-c1ccccc1 9951037 SRAAHSZZDOWDRH-UHFFFAOYSA-N 424.917 3.217 0 40 HGAB Cc1cccc(N2CCN(C(=O)CN3CCC[C@@H]3c3ccc4c(c3)OCCO4)CC2)c1 10053898 MDTFZAXPQDMGNI-JOCHJYFZSA-N 421.541 3.252 0 40 HGAB CC[C@@H](C)NC(=O)CN1C(=O)N(c2ccc(C)cc2)S(=O)(=O)c2ccccc21 10272708 HXIKHFAAIOQOMC-OAHLLOKOSA-N 401.488 3.045 0 40 HGAB COc1ccc(-c2cc(COC(=O)[C@@H]3CC(=O)N(CCc4ccccc4)C3)on2)cc1 11392978 XNDXMQUYQYVKIX-LJQANCHMSA-N 420.465 3.485 0 40 HGAB CCOc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccc(C)c(F)c4)ncn3n2)cc1 11666433 UPIQKWVKZWCVJF-UHFFFAOYSA-N 421.432 3.043 0 40 HGAB CN1CC2(CCC(C(=O)NCCC[C@H]3CCOC3)CC2)Oc2ccccc2C1=O 12086833 GCBGWOBAEYCTBZ-VVESCEMWSA-N 400.519 3.013 0 40 HGAB CO[C@H]1CCC[C@H](C(=O)N2CCC[C@H]2Cn2nc(-c3cccs3)ccc2=O)C1 12144962 TZXPOYGTKBUSBE-ULQDDVLXSA-N 401.532 3.168 0 40 HGAB COc1ccc(OCC(=O)N[C@@H](c2nc3c4c(C)c(C)oc4ncn3n2)C(C)C)cc1 12236136 MHFYWDPTBQZTJS-LJQANCHMSA-N 423.473 3.388 0 40 HGAB COc1ccc(CC(=O)N2CCC[C@H](c3nc(O)cc(-c4ccncc4)n3)C2)cc1 12256911 HOHUESIWIWGNGK-SFHVURJKSA-N 404.470 3.202 0 40 HGAB COCCN1C(=O)c2n[nH]c(-c3ccc(OC)cc3)c2[C@H]1c1ccc(C(=O)OC)cc1 12323730 HHWXSSLFUGGEND-OAQYLSRUSA-N 421.453 3.064 0 40 HGAB O=C(Cn1c(=O)cc(C(=O)N2CCCCC2)c2ccccc21)Nc1ccccc1F 12360194 ZQXBQBAZHPOSLU-UHFFFAOYSA-N 407.445 3.405 0 40 HGAB biogenic,in-vitro NC(=O)[C@@H]1CN(C(=O)c2cc(-c3ccncc3)nc3ccccc23)c2ccccc2O1 12543390 JXLNPTBTVZEQPR-QFIPXVFZSA-N 410.433 3.190 0 40 HGAB CSc1nnc(CCCNC(=O)c2cc(=O)[nH]c3ccccc23)n1C1CCCC1 12601889 WQHAJGUBFBXMMH-UHFFFAOYSA-N 411.531 3.319 0 40 HGAB Cc1nnc(SCC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)n1C1CC1 12794630 OODCQTNNJFEUIY-INIZCTEOSA-N 400.504 3.148 0 40 HGAB CC(=O)c1cc2c(cc1NC(=O)CN1CCC[C@@H]1c1ccc3c(c1)OCCO3)OCO2 12801217 BHALDFRKHJJJIF-GOSISDBHSA-N 424.453 3.165 0 40 HGAB COCCN(Cc1ccccc1)S(=O)(=O)c1ccc(OC)c(Br)c1 12809499 FEWIOXQIXMYDQI-UHFFFAOYSA-N 414.321 3.295 0 40 HGAB COc1cc(C(=O)NC[C@H](c2cccs2)N2CCOCC2)cc(Cl)c1OC 12903918 AZFYFGMHNJBXKQ-OAHLLOKOSA-N 410.923 3.222 0 40 HGAB CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)c1ccc(C(=O)OC)cc1 13001616 UGADAHURBNQYOZ-UHFFFAOYSA-N 413.861 3.416 0 40 HGAB O=C(COC(=O)C1(c2ccc(Cl)cc2)CCC1)NC(=O)NCCc1cccs1 13103555 YAFMWGOSYJGTRF-UHFFFAOYSA-N 420.918 3.435 0 40 HGAB CCN(CC)CCNC(=O)/C(=C/c1c[nH]c2ccccc12)NC(=O)c1ccccc1 13579480 KDQPXADVXWAOCS-JWGURIENSA-N 404.514 3.397 0 40 HGAB COc1cccc(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)N[C@H](C)CCCC(C)C)[C@@H]4C2=O)c1 13606829 ZYQVPVZYFQKFEK-HVZDBSBKSA-N 412.530 3.313 0 40 HGAB COC(=O)COc1nc2n(c(=O)c1C(c1ccccc1)c1ccccc1)CCS2 13624214 WGJUOADBQYKEON-UHFFFAOYSA-N 408.479 3.081 0 40 HGAB COC[C@@H](C)NC(=O)c1ccc(CN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 13858153 YFHTTYMEEKQYPU-QGZVFWFLSA-N 404.532 3.034 0 40 HGAB COc1ccccc1[C@H](C)NC(=O)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1 15472072 IAJKIJYHVUYZHO-HNNXBMFYSA-N 420.506 3.500 0 40 HGAB COCc1c(C(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)sc2cccc(F)c12 15817204 PCJPKSPAIPMZJQ-UHFFFAOYSA-N 408.476 3.395 0 40 HGAB CC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2-n2cccc2)cc1 15882521 AKWWLLGSKPARAU-UHFFFAOYSA-N 418.482 3.386 0 40 HGAB CCc1cccc(CC)c1NC(=O)CN(C)S(=O)(=O)c1cc(C)ccc1OC 16162258 JXDUVQOJCRNFKW-UHFFFAOYSA-N 404.532 3.388 0 40 HGAB C[C@H]1COC[C@@H](C)N1c1ncc(-c2nnnn2-c2ccccc2)c(-c2cccs2)n1 16609705 QXTGVMLBAVMWRD-GASCZTMLSA-N 419.514 3.461 0 40 HGAB COc1ccc2c(c1)C=C(CN1CCC([C@@H](NC(C)=O)c3ccccn3)CC1)CO2 19020426 UQQOHTYDBSXXGO-XMMPIXPASA-N 407.514 3.455 0 40 HGAB C[C@H](CC(=O)NCCn1c(C(F)(F)F)cc(=O)c2cccc(F)c21)n1cccn1 19455480 MSFIZJGRVPQNAE-GFCCVEGCSA-N 410.371 3.123 0 40 HGAB Cn1cc(C(=O)N2CCO[C@H](c3ccc(Cc4cccc(Cl)c4)cn3)C2)ccc1=O 19692207 RROKQCIBSKHDKL-NRFANRHFSA-N 423.900 3.238 0 40 HGAB CCc1nccn1[C@@H](C)C(=O)N1CCC(c2ccc(C(=O)NC3CCCC3)cn2)CC1 19708421 ZVVMBIBGOQDGBF-KRWDZBQOSA-N 423.561 3.480 0 40 HGAB CCOCc1ccc(C(=O)N2CCC(c3nc4c(c(NC)n3)CCN(C)C4)CC2)cc1 19710827 LRINZTHQDVKIKA-UHFFFAOYSA-N 423.561 3.063 0 40 HGAB CC(=O)Nc1ccc(-n2ccc3c(nnc4c(-c5ccccc5)c(C)nn43)c2=O)cc1 19818882 CUUNSSGDXCDSMP-UHFFFAOYSA-N 410.437 3.362 0 40 HGAB COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)C[C@@H]1C(=O)Nc1ccc(C(C)=O)cc1 19819138 VBVMJIUIVQCXME-IBGZPJMESA-N 424.428 3.467 0 40 HGAB COc1ccc(CN(CCN2CCOCC2)C(=S)Nc2ccccc2)cc1OC 19827901 MNYQTWOOXKOBEV-UHFFFAOYSA-N 415.559 3.235 0 40 HGAB Cc1cccc(C)c1NC(=O)CN(c1ccccc1Br)S(C)(=O)=O 19855567 VTWNJQUBJPUBGE-UHFFFAOYSA-N 411.321 3.471 0 40 HGAB O=C(C[C@@H](c1ccccc1)c1cc(Cl)ccc1O)NCCCN1CCOCC1 20001420 RAJZCWMYQBWRSA-IBGZPJMESA-N 402.922 3.406 0 40 HGAB CC(C)C[C@@H](c1nnnn1C1CCCCC1)N1CCN(C(=O)c2ccco2)CC1 20121568 UKWLLNITKURRTP-SFHVURJKSA-N 400.527 3.317 0 40 HGAB C[C@H](NS(=O)(=O)c1c(Cl)cccc1Cl)C(=O)Nc1nnc(C2CC2)s1 21291881 RBJAANNQXIXVNX-ZETCQYMHSA-N 421.331 3.028 0 40 HGAB Oc1nc(CSc2ncn[nH]2)nc2c(Br)cc(Br)cc12 21348062 NGMIPGDKEWZDJN-UHFFFAOYSA-N 417.086 3.271 0 40 HGAB CCN(CC)C(=O)c1ccc(NS(=O)(=O)c2ccc3oc(=O)ccc3c2)cc1 22903367 DGVRDCHINWHRLA-UHFFFAOYSA-N 400.456 3.076 0 40 HGAB C[C@H](c1ccccc1)N1CCN(C(=O)CSc2nnc(C3CC3)n2C2CC2)CC1 24013986 DSQMJYHJFBERQC-MRXNPFEDSA-N 411.575 3.488 0 40 HGAB Cc1cccc(CS(=O)(=O)N2CCC(C(=O)NCCSC(C)(C)C)CC2)c1 24611906 QFQIKERDMNBAKG-UHFFFAOYSA-N 412.621 3.185 0 40 HGAB C[C@H](C(=O)NC1CC1)N1CCN(c2nc(-c3ccsc3)nc3ccccc23)CC1 24894280 GYEZXWVUDROMLX-OAHLLOKOSA-N 407.543 3.147 0 40 HGAB Cc1nc(SCC(=O)OCC(=O)Nc2ccc(Cl)cc2)c(C(N)=O)c(C)c1C 25629374 ZNUNNKUUCWWMPY-UHFFFAOYSA-N 421.906 3.033 0 40 HGAB C[C@]12CC[C@H](O)C[C@H]1CC[C@H]1[C@@H]2[C@H](O)C[C@]2(C)[C@@H](c3ccc(=O)oc3)CC[C@]12O 27630281 FMTLOAVOGWSPEF-FZNFPIBRSA-N 402.531 3.213 0 40 HGAB biogenic,in-vitro COc1cccc(-n2nnnc2SCC(=O)c2cccc(Br)c2)c1 28047797 XTGWUBISVPKGLZ-UHFFFAOYSA-N 405.277 3.408 0 40 HGAB O=C(NCC(F)(F)F)c1ccc(CN(C(=O)[C@H]2Cc3ccccc3O2)C2CC2)cc1 29078917 ZDQBWCLNDNUKJO-LJQANCHMSA-N 418.415 3.473 0 40 HGAB CCCCN1C(=O)c2ccc(C(=O)N3CCN(C)C[C@@H]3c3ccccc3)cc2C1=O 30029279 PECGSWXFHHEWJX-OAQYLSRUSA-N 405.498 3.212 0 40 HGAB Cc1cc(NC(=O)CN2c3cccc4cccc(c34)S2(=O)=O)n(-c2ccccc2)n1 31680536 CNHYRIALALWCBA-UHFFFAOYSA-N 418.478 3.481 0 40 HGAB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)ccc1OCC(=O)N1CCCC1 32752518 NGYHEPXWJKBUGJ-QGOAFFKASA-N 405.454 3.242 0 40 HGAB CCCNC(=O)[C@H]1CN(C(=O)C2=Cc3cc(Cl)ccc3OC2)c2ccccc2O1 32823557 YPVGGAWDVHULNK-HXUWFJFHSA-N 412.873 3.436 0 40 HGAB CCc1nc(-c2cc(S(=O)(=O)NCc3ccccc3Cl)ccc2OC)no1 33013372 ZVFXNYHLWWXYAS-UHFFFAOYSA-N 407.879 3.440 0 40 HGAB Cc1ccc(CNC(=O)c2cc(-c3ccc(C)cc3)n([C@H]3CCS(=O)(=O)C3)n2)cc1 33325524 PKYCLJXVOCCUSK-FQEVSTJZSA-N 423.538 3.457 0 40 HGAB COc1ccc(C(=O)[C@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]3[C@H]3CCCN32)cc1 33635590 PPKBCXDRJPIAHD-UAFMIMERSA-N 424.884 3.184 0 40 HGAB COc1ccc([C@H](C)NC(=O)[C@@H](C)N(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1 38753515 IRLBUXHQMSKVAX-DLBZAZTESA-N 404.532 3.344 0 40 HGAB Cc1ccc(SCCNC(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)cc1C 40016122 MNOMSHXOCGGXMI-OAHLLOKOSA-N 407.561 3.103 0 40 HGAB Cc1ccc(N2C[C@H](C(=O)Nc3cccc(-c4nnc5n4CCC5)c3)CC2=O)c(F)c1 40074002 JBDMHCOLCJMIKL-MRXNPFEDSA-N 419.460 3.330 0 40 HGAB O=C1CCCN1C[C@@H](NS(=O)(=O)c1cccs1)c1cccc(C(F)(F)F)c1 40105681 BNPKCYDUOCAKKS-CQSZACIVSA-N 418.462 3.409 0 40 HGAB CC(C)OC(=O)C[C@H](NC(=O)[C@H](C)S(=O)(=O)c1ccc(F)cc1)c1ccccc1 40146599 HEYINDRAQDPDCL-KXBFYZLASA-N 421.490 3.187 0 40 HGAB Cc1c(Cl)cccc1NC(=O)Cn1nc2c(Oc3ccccc3)nccn2c1=O 49008256 LDERHGHTNUTKIZ-UHFFFAOYSA-N 409.833 3.284 0 40 HGAB COc1ccc(-c2nnc([C@H]3CCN(Cc4ccc(S(C)(=O)=O)cc4)C3)o2)cc1 49170171 HCSNPYLXBMITSH-KRWDZBQOSA-N 413.499 3.138 0 40 HGAB biogenic,in-vitro CS(=O)(=O)c1ccc(C(=O)Nc2ccc(C(=O)N3CCCCCC3)cc2)cc1 55741745 ABWHEJLNMXLRCA-UHFFFAOYSA-N 400.500 3.359 0 40 HGAB C[C@@H](C(=O)Nc1ccc(Br)cc1)N1CCN(c2ccc(O)cc2)CC1 58158793 SPCYKQWQIFOEIU-AWEZNQCLSA-N 404.308 3.304 0 40 HGAB COc1ccc(CSc2nnc(SCCCS(=O)(=O)N(C)C)s2)cc1 60376426 RJBGNWSEWQWTDJ-UHFFFAOYSA-N 419.619 3.213 0 40 HGAB COc1ccc([C@@H](C)NC(=O)c2cn(-c3cc(-c4nc(C)no4)ccn3)cn2)cc1 65250885 MNEOTSDDOISURC-CYBMUJFWSA-N 404.430 3.125 0 40 HGAB COc1ccc(C2=NC3(CCCCC3)N(CC(=O)NCc3ccc(F)cc3)C2=O)cc1 71768955 SXCVWRNWHLTCAZ-UHFFFAOYSA-N 423.488 3.442 0 40 HGAB CCC(=O)N[C@H]1CCCN(CCCCCCCCN2CCC[C@H](NC(=O)CC)C2)C1 72309141 HIYWXYLCDYSCNM-VXKWHMMOSA-N 422.658 3.308 0 40 HGAB COC(=O)Nc1ccccc1OCC(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)cc1 72311133 WFAJZUXVTCHVNZ-HOTGVXAUSA-N 413.474 3.496 0 40 HGAB Cc1ccc(CN2CCC3(CC2)COc2ccccc2S(=O)(=O)N(C)C3)s1 96037132 XXMWTERNOJNIIS-UHFFFAOYSA-N 406.573 3.352 0 40 HGAB Cn1cc([C@H]2SCC(=O)Nc3ncn(-c4ccc(Br)cc4)c32)cn1 96117877 YPYODDDJMCSUBB-OAHLLOKOSA-N 404.293 3.143 0 40 HGAB O=C(NCCc1ccccc1)c1ccc2ccc(N3CCN(CC4CC4)CC3)n2c1 96155922 VLUWSJJTSMICOF-UHFFFAOYSA-N 402.542 3.444 0 40 HGAB COc1cc([C@H]2SCC(=O)Nc3c2c(O)nn3[C@H]2CCOC(C)(C)C2)ccc1O 96232775 UESWMFBPWASBHR-YVEFUNNKSA-N 419.503 3.208 0 40 HGAB CCOc1ccc(N(CC(=O)N[C@H](C)CC)S(=O)(=O)c2ccc(F)cc2)cc1 113937183 LSCRRNBCFSWJNF-OAHLLOKOSA-N 408.495 3.334 0 40 HGAB CSc1ccccc1NC(=O)[C@@H](C)N(c1ccc(F)c(F)c1)S(C)(=O)=O 113957678 YMTAEDCZHHKECC-LLVKDONJSA-N 400.472 3.480 0 40 HGAB CCOc1ccc(N(CCCC(=O)Nc2ccc(OC)cc2)S(C)(=O)=O)cc1 113961474 BLXRBCBAEWKKKL-UHFFFAOYSA-N 406.504 3.279 0 40 HGAB O=C(Nc1cccc(F)c1)[C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 216231612 RYLDZDHQXKNYGV-SFHVURJKSA-N 404.507 3.439 0 40 HGAB S=C1N[C@H](c2ccccn2)[C@H](c2cccn2-c2cccnc2)N1C[C@@H]1CCCO1 223295959 FXVDEKYEZVWBBT-WMQCIHAUSA-N 405.527 3.419 0 40 HGAB Cc1ccc(N(CC(=O)NCCc2ccc(Cl)cc2)S(C)(=O)=O)cc1Cl 223682558 WBIGETRQJQAPFC-UHFFFAOYSA-N 415.342 3.427 0 40 HGAB Cc1ccc(OCCNC(=O)CCCN(c2ccccc2)S(C)(=O)=O)cc1C 224625862 SAYHSMCJVSPDPC-UHFFFAOYSA-N 404.532 3.045 0 40 HGAB COC(=O)CN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccc(OC)cc1 224857102 GVZIQWZRKFWDQG-UHFFFAOYSA-N 404.271 3.370 0 40 HGAB COc1ccccc1[C@@H](C)NC(=O)CCCN(c1ccc(C)cc1)S(C)(=O)=O 225327203 QEFCQGPESOUSDN-QGZVFWFLSA-N 404.532 3.427 0 40 HGAB Cc1ccc(CNC(=S)Nc2nc(N3CCCCC3)cc(N3CCCC3)n2)o1 225914389 KCUZGWXGKXPQFT-UHFFFAOYSA-N 400.552 3.455 0 40 HGAB COc1ccc(N(CCCC(=O)N[C@H]2C[C@H]3CC[C@H]2C3)S(C)(=O)=O)cc1Cl 250395896 HRKSPQOJCCAJDL-ZQIUZPCESA-N 414.955 3.200 0 40 HGAB CC(C)(C)OC(=O)N1[C@@H](CNC(=O)Cc2cccnc2)C[C@@]2(C)[C@@H](O)CCCC[C@@H]12 257307731 TTWCJNFUGCNHAF-CROMWVBPSA-N 417.550 3.060 0 40 HGAB CCc1ccc(N([C@@H](C)C(=O)N[C@H](C)COc2ccccc2C)S(C)(=O)=O)cc1 260588335 IIONAJXEJPUFMO-MSOLQXFVSA-N 418.559 3.296 0 40 HGAB Cc1ccc(CC(=O)N2CCO[C@@H](c3nnn4cc(-c5ccncc5)ccc34)C2)cc1 306136568 PXDZQMAOYKCVBJ-JOCHJYFZSA-N 413.481 3.242 0 40 HGAB COc1ccc(CNC(=O)NC[C@@](O)(c2ccsc2)c2ccco2)cc1OC 390827156 FGASGEGEAOGEGE-HXUWFJFHSA-N 402.472 3.094 0 40 HGAB CCNS(=O)(=O)c1cc(C(=O)Nc2ccc(F)c(Cl)c2)ccc1OCC 408696678 DKJCPYDGQIRTCI-UHFFFAOYSA-N 400.859 3.428 0 40 HGAB CCOc1ccc(NC(=O)COc2ccc(S(=O)(=O)NC(C)(C)C)cc2)cc1 409195590 JHQOPZHZHPEXTO-UHFFFAOYSA-N 406.504 3.180 0 40 HGAB O=C(COc1cccc(C(F)(F)F)c1)N1CCN(c2ccc(C3CC3)nn2)CC1 575621201 WLUBCYCBJWDXEQ-UHFFFAOYSA-N 406.408 3.100 0 40 HGAB COc1ccccc1C1(C(=O)N2CCC(N(C)c3ncc(Cl)cn3)CC2)CC1 1889151929 KNHBCMCLLGUFRN-UHFFFAOYSA-N 400.910 3.298 0 40 HGAB CC(=O)N1CC[C@H]2CC[C@@H](CN(CCC(C)C)Cc3ccccc31)N2S(C)(=O)=O 2037949727 WADUTXPEUKFQII-RTWAWAEBSA-N 421.607 3.084 0 40 HGAB COc1ccc([C@H]2C(C(=O)Nc3ccccc3OC)=C(C)Nc3ncnn32)c(OC)c1 807879 NHGBKPMVWGKYJP-FQEVSTJZSA-N 421.457 3.232 0 40 HGAB COc1cc(NC(=S)NC[C@@H]2CCCO2)c(OC)cc1NC(=O)c1ccco1 933354 JBAYISFXNWQUHG-LBPRGKRZSA-N 405.476 3.015 0 40 HGAB Cc1cc(C)c(C)c(S(=O)(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)c1C 938801 XKRPVXCCINRLOM-IBGZPJMESA-N 400.500 3.376 0 40 HGAB CCOc1ccccc1N1C[C@H](C(=O)OCC(=O)Nc2cc(C)ccc2C)CC1=O 1289476 BMGQEVYVPHTHSN-QGZVFWFLSA-N 410.470 3.237 0 40 HGAB COc1cccc(-n2c(SCC(=O)NCC(F)(F)F)nc3ccccc3c2=O)c1 3477834 QBBNMERYKKEJTJ-UHFFFAOYSA-N 423.416 3.165 0 40 HGAB COCCNC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(F)c(Cl)c1 3489292 LGHMWNAJWKETCL-UHFFFAOYSA-N 421.881 3.033 0 40 HGAB COc1ccc(-c2ccc(=O)n3c2[C@@H]2C[C@@H](CN(C(=O)c4ccncc4)C2)C3)cc1 4237362 FGLUUSYBOOIAMP-QFBILLFUSA-N 401.466 3.178 0 40 HGAB biogenic,in-vitro C[C@@H](NC(=O)COc1cccc(Br)c1)c1ccc(-n2cncn2)cc1 5245822 AQCLLOWYXKALAY-CYBMUJFWSA-N 401.264 3.286 0 40 HGAB Cc1c(C(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)oc2ccccc12 5419066 XFDPZCWEJJDSDM-UHFFFAOYSA-N 402.447 3.027 0 40 HGAB COc1ccc(N2C[C@@H](C(=O)OCC(=O)c3ccc(Cl)cc3)CC2=O)c(OC)c1 5535483 QVKGGRPXCKHHOX-AWEZNQCLSA-N 417.845 3.136 0 40 HGAB COc1cc(Br)c([C@@H]2SCC(=O)N2c2nncs2)cc1OC 5765457 XUOBNOIRFMSKNZ-LBPRGKRZSA-N 402.295 3.096 0 40 HGAB C[C@@H](NC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc(-n2ccnc2)cc1 5901882 VFEJHSHSUGJSHU-NXTQRVMMSA-N 406.530 3.382 0 40 HGAB Cc1c(C(=O)CN2C(=O)c3ccccc3O[C@@H](C(C)C)C2=O)cnn1-c1ccccc1 6662185 DVJXVARCRDESEE-QFIPXVFZSA-N 417.465 3.449 0 40 HGAB O=C(CSc1nnc(-c2ccccc2F)o1)Nc1ccccc1C(=O)NC1CC1 7191920 GHIZOEDXRAXJQN-UHFFFAOYSA-N 412.446 3.499 0 40 HGAB CCOC(=O)c1c(C)oc2ncn(CC(=O)N[C@@H](C)c3ccc(Cl)cc3)c(=O)c12 7554030 UYENCAQUCXPEHE-NSHDSACASA-N 417.849 3.005 0 40 HGAB O=C(NC1CCCCC1)[C@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(COc2ccccc2)nn1 8298888 URHMOSIDFDPDST-ZEYPLWLESA-N 423.561 3.016 0 40 HGAB biogenic,in-vitro COc1ccc2nc(SCC(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)[nH]c2c1 8720017 HCFUYRIFFQMYJV-UHFFFAOYSA-N 423.498 3.100 0 40 HGAB COc1ccc([C@@]2(C)NC(=O)N(Cc3nnc(-c4ccc(Cl)cc4)o3)C2=O)cc1 8966148 MKZYYRMOCPNZEX-HXUWFJFHSA-N 412.833 3.366 0 40 HGAB O=S(=O)(c1ccc(Br)cc1)N1CCc2cc3c(cc2C1)OCCCO3 9347866 KGFALSMPAWHHRT-UHFFFAOYSA-N 424.316 3.357 0 40 HGAB COc1ccc(-c2csc(NC(=O)Cc3ccc(S(C)(=O)=O)cc3)n2)cc1 10252589 SEVHRGHRPAYFRT-UHFFFAOYSA-N 402.497 3.403 0 40 HGAB O=C(CCN1C(=O)NC2(CCCC2)C1=O)N[C@H](c1ccc(F)cc1)c1cccs1 10291462 FAKLPQKRTJWMCC-GOSISDBHSA-N 415.490 3.348 0 40 HGAB Cc1cc(OCC(=O)Nc2ccccc2C(=O)NCCCN(C)C)ccc1Cl 10312847 JWZURQPHNVEEME-UHFFFAOYSA-N 403.910 3.347 0 40 HGAB CNS(=O)(=O)c1ccc(C(=O)OCc2ncc(-c3ccc(Cl)cc3)o2)cc1 11086134 RFCDANAVLICIGO-UHFFFAOYSA-N 406.847 3.260 0 40 HGAB COc1ccc(NC(=O)CSc2ccc(NC(=O)c3ccco3)nn2)c(OC)c1 11739150 HTSXUYODRLENMX-UHFFFAOYSA-N 414.443 3.070 0 40 HGAB CC(C)c1nc2ccccc2c2nn(CC(=O)Nc3cccc4ncccc34)c(=O)n12 12181953 WVVGWDQURQNUJS-UHFFFAOYSA-N 412.453 3.355 0 40 HGAB CCOC(=O)c1sc2ncnc(NCC(C)(C)N3C[C@H](C)O[C@H](C)C3)c2c1C 12598685 JWKGELGXBMFBEC-BETUJISGSA-N 406.552 3.476 0 40 HGAB CN(Cc1ccsc1)C(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 12856601 AJBVIDKGVISCEI-UHFFFAOYSA-N 424.452 3.080 0 40 HGAB CCOC(=O)c1sc2ncnc(N3CCN(C(=O)c4ccccc4)CC3)c2c1C 12856751 KVSOHKMKYGNCIT-UHFFFAOYSA-N 410.499 3.139 0 40 HGAB CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)Cn1nc2ccccn2c1=O 12885939 BNIVPNQAGOBTBR-UHFFFAOYSA-N 410.481 3.438 0 40 HGAB O=C(COc1ccc2nc3n(c(=O)c2c1)CCCCC3)NCCCc1ccccc1 12901956 RXSYTSLQGSBAQU-UHFFFAOYSA-N 405.498 3.251 0 40 HGAB biogenic O=C(CN1CCCN(c2ccc(C(F)(F)F)cn2)CC1)NCCc1cccs1 12974857 KCFNQLOFTZDCSX-UHFFFAOYSA-N 412.481 3.033 0 40 HGAB COc1ccc(-c2nnc(S[C@H](C(=O)N3CCOCC3)c3ccccc3)n2C)cc1 13164178 YGYWNADDGHFVRN-IBGZPJMESA-N 424.526 3.183 0 40 HGAB COc1cccc(-c2nc(S(=O)(=O)c3ccc4c(c3)OCCO4)c(N(C)C)o2)c1 13728855 WCDDXJAJKOHZME-UHFFFAOYSA-N 416.455 3.020 0 40 HGAB O=C(Nc1ccc(F)cc1)[C@H](c1ccccc1)N1CCN(C(=O)c2ccncc2)CC1 14164417 CRPPWQOUYOHIIP-QFIPXVFZSA-N 418.472 3.359 0 40 HGAB Cc1c(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)sc2ccccc12 14182532 PNGYZJQUDOKHDH-UHFFFAOYSA-N 400.525 3.356 0 40 HGAB CCCn1c(=O)c2ccccc2n2c(SC[C@@H](O)COc3ccc(C)cc3)nnc12 15243645 GUTYXXRFQFCIHS-INIZCTEOSA-N 424.526 3.295 0 40 HGAB COc1ccc(S(=O)(=O)NCCC(=O)N[C@H](C)c2cccc3ccccc23)cc1 15741657 ITUDQRSYLJEUNM-MRXNPFEDSA-N 412.511 3.394 0 40 HGAB COC(=O)c1ccc(N2CCOCC2)c(NC(=O)COc2ccc(Cl)c(C)c2)c1 16282324 FDDRHDGBPUZVKX-UHFFFAOYSA-N 418.877 3.289 0 40 HGAB Cc1ccc(N2C(=O)N(CC(=O)N(CC(F)(F)F)[C@@H](C)C3CC3)C(=O)[C@@H]2C)cc1 16695551 DPHPUGCCDUDLQR-KBPBESRZSA-N 411.424 3.342 0 40 HGAB CCc1cc2c(COC(=O)C[C@@H](C)NC(=O)c3ccccc3)cc(=O)oc2cc1O 17602541 JDSOUZOXIBGRSN-CQSZACIVSA-N 409.438 3.313 0 40 HGAB CC[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccc(OC)cc1 18131612 OCHPCXFKDLGVIG-OAQYLSRUSA-N 416.543 3.363 0 40 HGAB O=C(Nc1nnc(-c2ccccc2)s1)c1cccc(S(=O)(=O)N2CCCC2)c1 18703132 VPAMCACUKSGEPK-UHFFFAOYSA-N 414.512 3.242 0 40 HGAB COc1cc(CN2CCC[C@@H](c3cc(N)n4nc(C)cc4n3)C2)cc(OC)c1OC 19129189 HEILMMFOMQKOKW-MRXNPFEDSA-N 411.506 3.025 0 40 HGAB Cc1cc(CNC(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2C(=O)c2ccc(F)cc2)[nH]n1 19566704 MQYOBRAQOFSKPJ-FGZHOGPDSA-N 420.488 3.105 0 40 HGAB COc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3c[nH]nc3C)CC2)c1 19746640 SDTKUQHFEZSQRQ-OAQYLSRUSA-N 410.518 3.274 0 40 HGAB CCS(=O)(=O)N1c2ccc(C(=O)Nc3cc(OC)ccc3OC)cc2C[C@@H]1C 20449122 HDVJUEPJGLIYMC-ZDUSSCGKSA-N 404.488 3.057 0 40 HGAB CC[C@H](NC(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O)c1ccc(OC)cc1 20453467 VDVVMAHPWBFASZ-SFHVURJKSA-N 410.923 3.382 0 40 HGAB O=C(Cc1cnc(-c2ccccc2F)s1)N1CCN(CCc2ccncc2)CC1 20677376 BWBYDNLUEYIFAJ-UHFFFAOYSA-N 410.518 3.274 0 40 HGAB Cc1ccc(S(=O)(=O)N2C(=O)CC[C@H]2C(=O)Nc2cc(Cl)ccc2C)cc1 21089987 AZJFGPPQFBLKEO-KRWDZBQOSA-N 406.891 3.275 0 40 HGAB Cc1ccccc1OC[C@H](C)NC(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O 22337351 OJVXRJFCQBHMMS-HNNXBMFYSA-N 424.950 3.307 0 40 HGAB CCN1CCN([C@@H](c2cccs2)[C@H](C)NS(=O)(=O)c2ccc(C)cc2)CC1 22460435 MWEJUUKVXXTAEO-FXAWDEMLSA-N 407.605 3.102 0 40 HGAB Cc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(=O)N[C@H](C)c1ccc(F)cc1 22537230 CTQDBZAHKLSPES-MRXNPFEDSA-N 420.506 3.175 0 40 HGAB N=C(NC1=N[C@@H](CC(=O)Nc2ccc(F)c(Cl)c2)C(O)=N1)Nc1ccccc1 22607378 ZFZFMFJFVJUTPE-AWEZNQCLSA-N 402.817 3.139 0 40 HGAB CC(C)/N=c1\ccccn1C(=O)CN1C(=O)N[C@](C)(c2ccc3ccccc3c2)C1=O 23197564 PJLBBYLBWCUOIT-HADLPLECSA-N 416.481 3.058 0 40 HGAB O=C(NCCc1ccc2c(c1)OCO2)c1cnc2c(cnn2Cc2ccccc2)c1 23444542 XKHGMUOHLHYTEV-UHFFFAOYSA-N 400.438 3.181 0 40 HGAB COc1cc2c(cc1OC)CN(Cn1nc(N(C(C)=O)C3CC3)sc1=S)CC2 24745473 LHIZYVQCAFBKQV-UHFFFAOYSA-N 420.560 3.222 0 40 HGAB CSc1ccc(N2C[C@H](C(=O)NC[C@@H]3CCN(c4ccccc4)C3)CC2=O)cc1 24813863 IRWYXPLYFCYTDI-ZWKOTPCHSA-N 409.555 3.404 0 40 HGAB CNC(=O)c1ccc(CN(Cc2ccco2)S(=O)(=O)c2ccc(F)cc2)cc1 24839897 OOJBTOFNWDTHSW-UHFFFAOYSA-N 402.447 3.169 0 40 HGAB CC(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(N3CCCC3)nc2)c1 25065163 DXXHRZACPDABTQ-UHFFFAOYSA-N 422.938 3.274 0 40 HGAB COc1ccc(OC)c(CN(C(=O)c2ccc(N3C(=O)CCC3=O)cc2)C2CC2)c1 25805047 HSZBGKUJINVNNT-UHFFFAOYSA-N 408.454 3.162 0 40 HGAB CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)NCCN1CCc2ccccc2C1 30363056 PVELFWISLGOPJC-OAQYLSRUSA-N 413.949 3.269 0 40 HGAB COC(=O)c1ccc(NC(=O)N2CCc3nc[nH]c3[C@H]2c2ccccc2OC)cc1 32124194 KCEZOGOAOKATOM-HXUWFJFHSA-N 406.442 3.385 0 40 HGAB biogenic CCSc1nnc(SCC(=O)N2CCN(C(=O)Nc3ccccc3)CC2)s1 32390220 LLFOICIYCXHEQT-UHFFFAOYSA-N 423.589 3.119 0 40 HGAB CC(=O)c1cccc(N2C(SCc3ccccc3C)=N[C@H]3CS(=O)(=O)C[C@@H]32)c1 32641042 XUEQHIJITOJKFT-PMACEKPBSA-N 414.552 3.473 0 40 HGAB Cc1nn(CC(C)C)c2sc(C(=O)OCC(=O)NCCOc3ccccc3)cc12 32724139 SUEDYFBCRFDKGL-UHFFFAOYSA-N 415.515 3.414 0 40 HGAB CCc1cc2oc(=O)cc(CN3C(=O)c4ccccc4S3(=O)=O)c2cc1Cl 35434510 YCFHHFOBBPBLME-UHFFFAOYSA-N 403.843 3.354 0 40 HGAB COc1ccccc1C(=O)N1CCC[C@H](c2nnc(-c3ccc4c(c3)OCO4)o2)C1 35596917 SLFCXABFOPHFHZ-HNNXBMFYSA-N 407.426 3.494 0 40 HGAB O=C1CN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)C[C@H]2c3ccccc3CCN12 36108736 WMJGVIQYBFGLTN-KRWDZBQOSA-N 411.310 3.124 0 40 HGAB C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 36389649 TWPBGMPCHBCGCB-BEFAXECRSA-N 409.486 3.111 0 40 HGAB Cc1ccc(NC(=O)[C@@H](C)N(C)CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)cc1 36398859 TXEINPWGEWCKEY-DLBZAZTESA-N 408.502 3.018 0 40 HGAB CCN(CC(=O)NCc1ccc(OC)cc1)S(=O)(=O)c1ccc2ccccc2c1 39986876 JYQOCUYVONNUPW-UHFFFAOYSA-N 412.511 3.175 0 40 HGAB CN(Cc1ccccc1)C(=O)CN1C(=O)N[C@@](C)(c2cccc(C(F)(F)F)c2)C1=O 40116886 DLQAFYRBWCOHHV-FQEVSTJZSA-N 419.403 3.131 0 40 HGAB COc1cc(CNS(=O)(=O)c2c(Cl)nc3ccccn23)ccc1OC(F)F 40151537 DLRLHSGEHQGKNN-UHFFFAOYSA-N 417.821 3.076 0 40 HGAB O=C1C[C@@H](C(=O)Nc2cccc(Cl)c2)c2c(nc(Nc3ccccc3)[nH]c2=O)N1 40284963 MWNYMZBKOUGINW-CQSZACIVSA-N 409.833 3.231 0 40 HGAB Cc1nc(-c2cccc(Br)c2)ccc1C(=O)NCCNc1ncccn1 48010403 FJIAJWUAICLUKQ-UHFFFAOYSA-N 412.291 3.451 0 40 HGAB COC(=O)c1ccc2c(=O)n(-c3ccc(C)c(F)c3)c(N3CCSCC3)nc2c1 49006454 UBNYJJUOBDOLLX-UHFFFAOYSA-N 413.474 3.173 0 40 HGAB COc1cc(C)c(S(=O)(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)cc1C 55576500 NKQLEMWGSUKGEY-INIZCTEOSA-N 418.515 3.022 0 40 HGAB COc1ccccc1CC(=O)N1CCC(c2ccnc3nc(C(F)(F)F)nn23)CC1 72334984 YXMJCXJOGDYSBX-UHFFFAOYSA-N 419.407 3.100 0 40 HGAB CCNC(=O)N1CCC[C@@H](CN2CCc3onc(Nc4cccc(F)c4)c3C2)C1 72352957 QVEFKHXAZICWHT-HNNXBMFYSA-N 401.486 3.357 0 40 HGAB Cc1noc(C)c1S(=O)(=O)N1CCCC[C@@H]1c1nc(N)ncc1-c1ccccc1 72377229 WQEPFZPFYWSQAL-QGZVFWFLSA-N 413.503 3.247 0 40 HGAB COc1cc(CN2CCC[C@H](c3cc(=O)[nH]c(-c4cccnc4)n3)C2)cc(OC)c1 72393088 IQMIVMHEMISACC-SFHVURJKSA-N 406.486 3.229 0 40 HGAB Cc1nc(CN(C)CC(=O)NC[C@H](c2ccccc2Cl)N2CCCC2)cs1 89712404 AJRZGEKUMVBVHB-LJQANCHMSA-N 406.983 3.490 0 40 HGAB COCC(=O)N1CCCc2ccc(NC(=O)C[C@@H](CC(=O)O)c3cccs3)cc21 96024586 UKRDXZDXBJIUFF-HNNXBMFYSA-N 416.499 3.261 0 40 HGAB COC(=O)C[C@H](c1ccc2c(c1)OCO2)c1c(O)n[nH]c1Cc1ccc(OC)cc1 96114084 BNHRFWBWCOFXTQ-MRXNPFEDSA-N 410.426 3.138 0 40 HGAB biogenic Cc1ccc(C(=O)COC(=O)C2CCC(N3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4C3)CC2)cc1 101228706 RMSOVSYXAQZWFU-RLHDXQJOSA-N 421.493 3.087 0 40 HGAB COc1ccc(OC)c(NC(=O)c2cccc(N3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)c2)c1 102730142 OCSUKFUSOVNQLR-MFRYECHYSA-N 418.449 3.268 0 40 HGAB O=C(c1cccs1)[C@@H]1[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]2[C@H]2CCCN12 102776160 GSWJGDVCOGRWDV-IWCQGFGOSA-N 400.887 3.237 0 40 HGAB CCOC(=O)C1=C(CN2C[C@@H](C)Sc3ccccc32)NC(=O)N[C@@H]1c1ccco1 107153958 FBWXVDBBZVZJSI-BFUOFWGJSA-N 413.499 3.452 0 40 HGAB COc1ccc(CN(C)C(=O)CCCN(c2ccccc2F)S(C)(=O)=O)cc1 222649644 YFRZXBKKWJNTIM-UHFFFAOYSA-N 408.495 3.039 0 40 HGAB CC[C@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)CSCc1ccccc1 223418102 QSHCKMMCYZYUIV-HXUWFJFHSA-N 400.544 3.482 0 40 HGAB Cc1ccc([C@H](C)NS(=O)(=O)c2nnc(NC(=O)c3ccccc3C)s2)cc1 223951014 FYZIZMYPJIPSNV-AWEZNQCLSA-N 416.528 3.447 0 40 HGAB Cc1ccc(C(=O)Nc2ccc(C(N)=O)cc2)cc1N(C)S(=O)(=O)c1ccccc1 224300216 JEHFNVJEKCOSJQ-UHFFFAOYSA-N 423.494 3.171 0 40 HGAB Cc1cccc(OCCNC(=O)CCCN(c2ccccc2C)S(C)(=O)=O)c1 224641539 PUMXLFGUDBQAIF-UHFFFAOYSA-N 404.532 3.045 0 40 HGAB COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc[nH]2)cc1C 225260960 STFFNLZAOJHHJV-NHCUHLMSSA-N 421.526 3.480 0 40 HGAB CCc1ccc([C@H](C)NC(=O)CN(c2cc(C)ccc2OC)S(C)(=O)=O)cc1 225575844 XECCVKAQJRLUSV-INIZCTEOSA-N 404.532 3.209 0 40 HGAB C[C@]1(C(=O)Nc2ccc(OC3CSC3)cc2)CCN(c2ccccc2)S1(=O)=O 225949959 CBSSGVGHBVAWDL-HXUWFJFHSA-N 418.540 3.118 0 40 HGAB Ic1cccc(Nc2ncnc3c2cnn3C2CCNCC2)c1 228929105 JAMBVAHQMBPJJI-UHFFFAOYSA-N 420.258 3.099 0 40 HGAB COc1cccc(Cc2cnc([C@@H]3CCCCN3C(=O)c3cc(C)nc(N)n3)o2)c1 257220248 DKEMYWFKCVWANI-IBGZPJMESA-N 407.474 3.322 0 40 HGAB COc1ccccc1CNc1n[nH]c2nc([C@H]3CCN(C(=O)c4ccno4)C3)ccc12 257302005 SAYLLJANPNTETK-HNNXBMFYSA-N 418.457 3.196 0 40 HGAB Cc1cnc(C(=O)N[C@@H]2CCCC[C@@]23CN(Cc2ccc4[nH]ccc4c2)CCO3)cn1 306125166 CIFZPOIZLDEIOL-ISKFKSNPSA-N 419.529 3.210 0 40 HGAB Cc1ccc(CN2C[C@H]3Cc4nnc(C(=O)Nc5cccc(F)c5)n4C[C@@H]3C2)s1 306131012 JUUVTNYBSFMMCM-CABCVRRESA-N 411.506 3.344 0 40 HGAB Cn1nccc1C(=O)N1CCC[C@H](c2nc3ccc(NCc4ccccc4)cn3n2)C1 306137529 QZDXPBPGIZPGNV-SFHVURJKSA-N 415.501 3.095 0 40 HGAB Cc1cc(CN2CCC[C@]3(CN(Cc4ccoc4C)CC(F)(F)C3)C2=O)n(C)n1 306144182 YYEVGHXDHDIFKN-FQEVSTJZSA-N 406.477 3.280 0 40 HGAB CCCNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1OC 408617374 AYVRWZQGTVEHOL-UHFFFAOYSA-N 410.923 3.066 0 40 HGAB CCOc1cc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)ccc1OCC(=O)OC 409230291 YAOXYCLDTHEZAE-WOJGMQOQSA-N 424.453 3.038 0 40 HGAB O=C(NCc1nc(-c2ccncc2)cs1)[C@H](c1ccccc1)N1CCC(O)CC1 542356875 XQOSIKXVPQWOCZ-NRFANRHFSA-N 408.527 3.019 0 40 HGAB O=C(N[C@@H](Cc1cnc[nH]1)C(=O)Nc1cccc(-c2cc[nH]n2)c1)C1CCCCC1 583997608 MUNSKDFNGBVLRW-FQEVSTJZSA-N 406.490 3.046 0 40 HGAB COc1ccc(OCC(=O)N2CCc3[nH]nc(-c4ccc(OC)cc4)c3CC2)cc1 585110370 LIZFHNXDSHAORG-UHFFFAOYSA-N 407.470 3.100 0 40 HGAB O=C(c1cncs1)N1CCC[C@@H](c2cncc(-c3noc(C(F)(F)F)n3)n2)C1 585290935 YIQOEQUBFZTJHL-SECBINFHSA-N 410.381 3.022 0 40 HGAB C[C@@H]1CN(C(=O)c2ccc(CNS(=O)(=O)c3cccc(Cl)c3)cc2)C[C@@H](C)O1 630916 GLYJPZCURRXREL-HUUCEWRRSA-N 422.934 3.068 0 40 HGAB Cn1c(SCC(=O)Nc2ccc(Br)cc2)nnc1-c1ccncc1 897255 UJBBRCYIEQGGMR-UHFFFAOYSA-N 404.293 3.370 0 40 HGAB COC(=O)CSc1nnc(COc2cccc(OC)c2)n1CCc1ccccc1 929045 ANHTZLBKEBEOJC-UHFFFAOYSA-N 413.499 3.374 0 40 HGAB CCc1cccc(CC)c1-n1c(SCC(=O)NC(=O)NC)nnc1-c1cccnc1 3516174 CBBLIEULRBINSC-UHFFFAOYSA-N 424.530 3.002 0 40 HGAB C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccco3)o2)cc1 4264622 CYTYQVPACRJHSZ-ZDUSSCGKSA-N 416.459 3.145 0 40 HGAB CC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 4702906 NXMHCSGIDVVXBC-ZDUSSCGKSA-N 422.503 3.042 0 40 HGAB CCOC(=O)Cc1csc(NC(=O)[C@@H](CC(C)C)NC(=O)C2CCCCC2)n1 4778528 XHCRMYUFQXKUJE-MRXNPFEDSA-N 409.552 3.298 0 40 HGAB COc1ccc(NC(=O)c2ccc3c(=O)n(CCc4ccccc4)c(=O)[nH]c3c2)cc1 4791879 WJTAHHSTOPURSY-UHFFFAOYSA-N 415.449 3.193 0 40 HGAB CCCCOC(=O)[C@@H](C)OC(=O)c1cccc(C(=O)O[C@H](C)C(=O)OCCCC)c1 4896097 ONQBNAZNJBHXIL-HZPDHXFCSA-N 422.474 3.464 0 40 HGAB COc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCCN3C(=O)C2CC2)cc1OC 5099552 QNFJYYFLHNGPNI-UHFFFAOYSA-N 416.499 3.194 0 40 HGAB COc1ccccc1OCCOCCOCCOCCOc1ccccc1OC 5124472 FVEMUEWBFVSUIN-UHFFFAOYSA-N 406.475 3.211 0 40 HGAB biogenic COC(=O)c1ccc(OC(=O)c2ccccc2N2C(=O)c3ccccc3C2=O)cc1 5879557 HFDGMFJHURXXTH-UHFFFAOYSA-N 401.374 3.493 0 40 HGAB COc1ccc(/C=C/C(=O)N2CCCN(C(=O)/C=C/c3ccc(OC)cc3)CC2)cc1 6127535 GXMYNGQTAQGPHQ-VOMDNODZSA-N 420.509 3.491 0 40 HGAB COc1cc(C=O)ccc1OCC(=O)Nc1ccc(I)cc1 6128285 IROKJYWAXQUZQE-UHFFFAOYSA-N 411.195 3.130 0 40 HGAB CC(C)OC(=O)c1cc(NC(=S)NC[C@@H]2CCCO2)cc(C(=O)OC(C)C)c1 6239018 YDQQDNBAIFHPFO-KRWDZBQOSA-N 408.520 3.282 0 40 HGAB c1ccc(N2CCN(c3ccnc(N4CCN(c5ccccc5)CC4)n3)CC2)cc1 6590238 DYEJYKUBSFYSQL-UHFFFAOYSA-N 400.530 3.130 0 40 HGAB CC(=O)Nc1ccc([C@@H]2C(C(=O)Nc3ccc(F)cc3)=C(C)Nc3ncnn32)cc1 6757237 PUGBEVZRXPMFNR-LJQANCHMSA-N 406.421 3.303 0 40 HGAB COc1ccc(NC(=O)CSc2nnc(COc3ccc(OC)cc3)o2)cc1 7605015 SLRUSYQVOOYNOT-UHFFFAOYSA-N 401.444 3.397 0 40 HGAB O=C(COC(=O)[C@H]1CC(=O)N(C2CCCCC2)C1)Nc1cccc(C(F)(F)F)c1 7940231 JGOGGYODKFJEJV-ZDUSSCGKSA-N 412.408 3.368 0 40 HGAB O=S(=O)(NC[C@H](c1ccccc1)S(=O)(=O)c1cccs1)c1ccccc1 8038087 YSQLFVYRLJOBGG-QGZVFWFLSA-N 407.538 3.242 0 40 HGAB CCOc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3C)C2)cc1 8039104 ROZKQHPCPKLAHM-KRWDZBQOSA-N 410.470 3.237 0 40 HGAB CCN1C[C@@H](CN(C)CC(=O)Nc2ccc(N3CCCC3)cc2)Oc2ccccc21 8727708 ZXWHJKKGONTDEO-OAQYLSRUSA-N 408.546 3.445 0 40 HGAB CCCC(=O)Nc1ccc(N2CCN(C(=O)c3cc(OC)cc(OC)c3)CC2)cc1 8903407 WFAMKQPWOFZHKE-UHFFFAOYSA-N 411.502 3.405 0 40 HGAB COc1ccc(C(=O)Nc2ccc3c(c2)CN(C(=O)C2CC2)CC3)c(OC)c1OC 9037880 NBIHDZQDWJYWDH-UHFFFAOYSA-N 410.470 3.259 0 40 HGAB CC(=O)c1ccc(NC(=O)CCNS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1 9156516 OZZFGNUDEUJAHK-UHFFFAOYSA-N 414.405 3.215 0 40 HGAB CC(=O)c1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(SCc4ccccc4)nn32)cc1 9289589 IKXXIUXWJVKFCU-QGZVFWFLSA-N 421.482 3.295 0 40 HGAB COc1ccc(Nc2nnc(SCC(=O)Nc3sccc3C(N)=O)s2)cc1 9616681 PJPCOKKLVMQXQQ-UHFFFAOYSA-N 421.529 3.182 0 40 HGAB Cc1ccc(C2=NO[C@H](CC3(C(=O)NCCc4ccncc4)CCOCC3)C2)cc1 12088832 WXWYGXCXYMULOB-NRFANRHFSA-N 407.514 3.429 0 40 HGAB CCc1cc(C(=O)NCCn2ncc(-c3cc(C)no3)c2-c2ccc(C)nc2)no1 12222258 LOBSEXMIYNQHAP-UHFFFAOYSA-N 406.446 3.197 0 40 HGAB CCCOc1ccc([C@H]2NC(=O)NC3=C2C(=O)N(CCc2ccc(OC)cc2)C3)cc1 12347109 IRBJOPIWGFRSGY-JOCHJYFZSA-N 421.497 3.177 0 40 HGAB COc1ccc(OC)c([C@H]2c3cccn3CCN2S(=O)(=O)c2ccc(F)cc2)c1 12361715 PYMHRENPALEEOY-NRFANRHFSA-N 416.474 3.438 0 40 HGAB COc1ccccc1[C@@H](C)NC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 12854576 UFYBQILYMNQJOI-MRXNPFEDSA-N 402.516 3.361 0 40 HGAB Cc1ccc(C(=O)CCC(=O)OCc2nc(N)nc(Nc3ccc(F)cc3)n2)s1 12903066 ZIMSWGYWAFZNJI-UHFFFAOYSA-N 415.450 3.413 0 40 HGAB C[C@@H](c1nc2ccccc2s1)N(C)S(=O)(=O)c1ccc2c(c1)NC(=O)CO2 13000440 HYRLCUKKBNHSQC-NSHDSACASA-N 403.485 3.009 0 40 HGAB Cc1c(C(=O)OCC(=O)NC(=O)NC2CCCC2)oc2ccc(Br)cc12 13062613 FMWYALNOJNJVAO-UHFFFAOYSA-N 423.263 3.429 0 40 HGAB COc1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)cc1S(=O)(=O)N(C)C 13941788 LEXQRUCUIKBUFE-UHFFFAOYSA-N 416.543 3.040 0 40 HGAB Cc1cc(S(=O)(=O)N(C)C)cc(NC(=O)c2cc(F)c(F)c(F)c2F)c1C 14637671 AWRDGEMZHPIFBT-UHFFFAOYSA-N 404.385 3.362 0 40 HGAB O=C(Nc1cccc(Cl)c1)[C@@H]1[C@H]2C=C[C@]3(CN(CCc4ccccc4)C(=O)[C@H]13)O2 15905372 NXSSGYPVVHRRQW-ISHFTEKXSA-N 408.885 3.303 0 40 HGAB O=C(CCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12)N[C@@H]1CCS(=O)(=O)C1 16236125 RLPNBDYPFXODGL-MRXNPFEDSA-N 418.465 3.349 0 40 HGAB COc1ccc(NC(=O)CNC(=O)c2ccc3c(c2)OCO3)cc1Cc1ccccc1 16274047 WKDGWRVTSSHMDE-UHFFFAOYSA-N 418.449 3.383 0 40 HGAB O=C(CSc1nnnn1C[C@@H]1CCCO1)Nc1ccc(Oc2ccccc2)cc1 16409659 CEIAPGSDLCNCLM-SFHVURJKSA-N 411.487 3.375 0 40 HGAB CN(Cc1ccccc1Cl)C(=O)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O 17917918 VXYYIEPNTNBJQA-MRXNPFEDSA-N 412.873 3.387 0 40 HGAB C[C@@H](Oc1ccccc1F)C(=O)N1CCN([C@@H](c2ccccc2)c2nccn2C)CC1 19079089 UZIBAIJZACQJMX-GCJKJVERSA-N 422.504 3.260 0 40 HGAB O=C1[C@@H]2[C@@H](C(=O)N1c1cccc(C(F)(F)F)c1)N1CCCN1[C@@H]2c1ccc(F)cc1 19168618 RASNOJDOUWQTMT-KSZLIROESA-N 419.378 3.380 0 40 HGAB Cc1ccc(O[C@@H](C)C(=O)N2CCC[C@@H]([C@@H]3C[C@H](C(F)F)n4ncnc4N3)C2)cc1 19210851 CUVMCDGFEXOEQU-CIRFHOKZSA-N 419.476 3.283 0 40 HGAB Cc1ccc(S(=O)(=O)CCC(=O)N2CCC(c3cc4ncccc4[nH]3)CC2)cc1 19211094 WTJBVXASNUILFT-UHFFFAOYSA-N 411.527 3.441 0 40 HGAB Cc1csc2ncc(C(=O)NCc3cccc(CN4CCCCCC4)c3)c(=O)n12 19240371 JRDLGBRHMARFIR-UHFFFAOYSA-N 410.543 3.370 0 40 HGAB O=c1[nH]c(C2CCN(Cc3cccnc3)CC2)nc2c1CN(Cc1ccccc1)CC2 19372313 CUUZPGDAHNNORS-UHFFFAOYSA-N 415.541 3.103 0 40 HGAB CC(C)CC(=O)N1CCO[C@@](Cc2cccc(-c3ccncc3)c2)(C(=O)NC2CC2)C1 19446542 LTCLCBSMCQIFCL-RUZDIDTESA-N 421.541 3.213 0 40 HGAB CC(C)N1CCC[C@H](c2cc(=O)[nH]c(C3CCN(C(=O)Cc4ccccc4)CC3)n2)C1 19447932 OZAKETUIVUDSGL-NRFANRHFSA-N 422.573 3.306 0 40 HGAB Cc1cc(C(=O)N2CCCC[C@H]2c2nc(-c3ccsc3)cc(=O)[nH]2)c(=O)[nH]c1C 19566766 VYSFMBLSYKROCP-KRWDZBQOSA-N 410.499 3.171 0 40 HGAB COc1c(C)c(C)c(OC)c(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c1C 19626793 HESUDJQWJUCMJJ-UHFFFAOYSA-N 418.559 3.136 0 40 HGAB O=C(Nc1ccc(N2CCCS2(=O)=O)cc1)c1cc(-c2cccc(F)c2)no1 19666783 OWLICSJWFRJVQD-UHFFFAOYSA-N 401.419 3.273 0 40 HGAB Cc1cnn(CC(=O)N2CCC[C@H](c3ccc(C(=O)Nc4ccc(F)cc4)cn3)C2)c1 19705581 INCAPXTUGWEOAG-SFHVURJKSA-N 421.476 3.384 0 40 HGAB Cc1ccc([C@H](C)NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)c(C)c1 20104102 WPEAHMDHZJBTAX-SFHVURJKSA-N 416.543 3.124 0 40 HGAB COc1ccc(-c2cc(C(F)(F)F)nc(SCCC(=O)Nn3cnnc3)n2)cc1 20258337 PMBNBWJYNPTFJX-UHFFFAOYSA-N 424.408 3.015 0 40 HGAB Cc1nnc2ccc(N3CCC(C(=O)Nc4cccc(C(F)(F)F)c4)CC3)nn12 20739807 JRURPLVJVUCQDC-UHFFFAOYSA-N 404.396 3.307 0 40 HGAB O=C(O)CCN1C(=O)/C(=C\c2cc([N+](=O)[O-])ccc2N2CCCCC2)SC1=S 21271724 HJBBQDFFWDQHDT-RVDMUPIBSA-N 421.500 3.261 0 40 HGAB CCOC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)CN1CCN(C)CC1 22462059 KNLPZXAUGWUVLC-UHFFFAOYSA-N 421.950 3.431 0 40 HGAB CCN1CCN(CC(=O)Nc2c(Br)cc(C)cc2Br)CC1 22877360 BJKJFHGWDACKIE-UHFFFAOYSA-N 419.161 3.096 0 40 HGAB O=C(NC[C@@H](c1cccc2ccccc12)N1CCOCC1)C(=O)Nc1ccccc1F 23107650 JFLZPMHRNKFQEQ-QFIPXVFZSA-N 421.472 3.107 0 40 HGAB Cc1noc(C)c1COc1ccc(CC(=O)NC2CCN(C(=O)C(C)C)CC2)cc1 23132003 OBXDFZJDDWZBTQ-UHFFFAOYSA-N 413.518 3.176 0 40 HGAB Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N1CCN(CCOc2ccccc2)CC1 23642013 VWUVQAXQTUOBJG-UHFFFAOYSA-N 422.504 3.465 0 40 HGAB CN(Cc1ccccc1N1CCCC1)c1ccc(S(=O)(=O)N2CCCCC2)cn1 23820205 HUHMABJOVYNEPF-UHFFFAOYSA-N 414.575 3.493 0 40 HGAB CC(C)[C@@H](NC(=O)C1CCN(C(=O)c2ccco2)CC1)c1ccc2c(c1)OCCO2 23918407 DJOFPIDLLOXHQL-OAQYLSRUSA-N 412.486 3.417 0 40 HGAB COc1cccc([C@H](NC(=O)CCc2nnc(-c3ccccc3)o2)c2nccn2C)c1 24019564 OMPVWIWSMCOFJZ-NRFANRHFSA-N 417.469 3.317 0 40 HGAB Cn1ccnc1[C@@H](NC(=O)CNC(=O)CC12CC3CC(CC(C3)C1)C2)c1ccccc1 24986663 SKWZADGXWFDZCY-HBRISMIWSA-N 420.557 3.348 0 40 HGAB C[C@H](C(=O)Nc1cccc2ncccc12)N1CCN(Cc2ccc3c(c2)OCO3)CC1 25528080 RVKXPAGIGXXXRJ-QGZVFWFLSA-N 418.497 3.108 0 40 HGAB COc1ccc(O[C@@H](C)C(=O)O[C@H](C)C(=O)Nc2ccc(OC)cc2OC)cc1 28887101 QUMNFTDTDNEFPG-KGLIPLIRSA-N 403.431 3.050 0 40 HGAB CCN(CC(=O)Nc1ccc(OC)cc1)C(=O)c1cnn(-c2ccc(F)cc2)c1C 29239201 AQQQAGPHIRSSJD-UHFFFAOYSA-N 410.449 3.429 0 40 HGAB COc1ccc(-n2cnc3c2NC(=O)C[C@@H]3c2cc3c(c(OC)c2OC)OCO3)cc1 35324402 WNSVCBORQGDLSQ-CQSZACIVSA-N 423.425 3.101 0 40 HGAB CCOC(=O)c1cc2cc(NC(=O)c3ccc(S(=O)(=O)NC)cc3)ccc2s1 36394592 GGXAYEGUCQVBSO-UHFFFAOYSA-N 418.496 3.238 0 40 HGAB O=C1C[C@H](C(=O)N2CCCSc3ccccc32)CN1c1ccc2c(c1)OCCO2 40162102 AVAQPCCDQZBRNU-HNNXBMFYSA-N 410.495 3.340 0 40 HGAB Cc1ccc(NC(=O)Cn2cnc3nc(N4CCCC4)sc3c2=O)c(Cl)c1 45970581 OSKIREBOZVDHGT-UHFFFAOYSA-N 403.895 3.054 0 40 HGAB CCN(Cc1ccc2c(c1)OCCO2)C(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 48234226 CTRBITRLRBYUEO-QGZVFWFLSA-N 404.507 3.453 0 40 HGAB COc1ccc(NC(=O)N2CCC[C@H](N3CCCC3)C2)cc1N1CCCCC1=O 48333385 WSBPGZDZTPOYPO-SFHVURJKSA-N 400.523 3.304 0 40 HGAB CC(C)C[C@@H](C(=O)Nc1ccc2oc(=O)ccc2c1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 54253694 XCABACVEJLDWJS-KSZLIROESA-N 408.454 3.097 0 40 HGAB CCN(Cc1ccccc1)C(=O)Cn1c(=O)n(CCC(C)C)c(=O)c2ccccc21 57525948 KQCZEVPKFQACCP-UHFFFAOYSA-N 407.514 3.258 0 40 HGAB CCCN(CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1)CC(F)(F)F 58309332 RGHJNLRVCKHMMD-UHFFFAOYSA-N 409.334 3.499 0 40 HGAB Cc1nc(-c2cccc(Cl)c2)n(CC(=O)Nc2cccc(F)c2)c(=O)c1CCO 67301716 QVUVUFAFNVSNKB-UHFFFAOYSA-N 415.852 3.185 0 40 HGAB O=C(NCCc1cn2ccccc2n1)[C@@H]1CC(c2ccc(Cl)cc2Cl)=NO1 78624049 NPFNCPNUVSYQSK-KRWDZBQOSA-N 403.269 3.493 0 40 HGAB CC1(C)CN(C(=O)CCNC(=O)c2ccc(F)cc2F)CCN1Cc1ccccc1 95351031 UQOYOEOKYFBYGE-UHFFFAOYSA-N 415.484 3.208 0 40 HGAB COc1cc2c(cc1OC)CC(=O)N(CC(=O)N[C@@H](C)CCc1ccccc1)C=C2 96221462 FRXSWBVQXUDCKW-KRWDZBQOSA-N 408.498 3.197 0 40 HGAB biogenic Cc1ccccc1NC(=O)N1CCC[C@]2(C(=O)N(C)C)CN(c3ccccn3)C[C@@H]2C1 96251260 BMPKDKLATUBDOS-CYFREDJKSA-N 421.545 3.229 0 40 HGAB Cc1ccc(N2C(=O)C[C@H](c3c(C)nn(-c4nc5ccccc5[nH]4)c3O)C2=O)cc1 100069046 WBPUVJIFJJKNAV-OAHLLOKOSA-N 401.426 3.118 0 40 HGAB Cc1cc(O)n2nc([C@H]3CCCN3C(=O)c3csc(-c4ccncc4)n3)cc2n1 100143627 FHPFTFCLCQYRDO-MRXNPFEDSA-N 406.471 3.239 0 40 HGAB Cc1ccc(N2C(=O)C[C@@H](Sc3ccc(NC(=O)/C=C/C(=O)O)cc3)C2=O)cc1C 113562935 PJCQVKWQDNRWSX-QZEKMECESA-N 424.478 3.307 0 40 HGAB O=C(NCc1ccc(F)cc1)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1 113972662 NJPVTFPYEAJPOU-QGZVFWFLSA-N 424.925 3.337 0 40 HGAB O=C(Nc1cccc(Cl)c1)[C@@H]1[C@H]2C=C[C@@]3(CN(CCc4ccccc4)C(=O)[C@H]13)O2 141499086 NXSSGYPVVHRRQW-UGTOYMOASA-N 408.885 3.303 0 40 HGAB COc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(C)c(C)c2)cc1N1CCCC1=O 219229244 USDALIGUCXVYMQ-INIZCTEOSA-N 402.516 3.478 0 40 HGAB COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(O)cc1 223698650 RDUAIUCDRJWCCE-LEWJYISDSA-N 422.510 3.114 0 40 HGAB CN(c1ccc(C(=O)NCCOc2ccccc2)cc1)S(=O)(=O)c1ccccc1 223744875 GLSSRPLDNHZQAK-UHFFFAOYSA-N 410.495 3.321 0 40 HGAB Cc1ccc(OCCNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1Cl 224193598 SVFXNDUJSDXZPE-UHFFFAOYSA-N 422.934 3.242 0 40 HGAB C[C@H](NC(=O)OC(C)(C)C)C(=O)NC1CCN(c2cc(-c3cccs3)[nH]n2)CC1 238876170 OCBUZPTVBJMNPA-ZDUSSCGKSA-N 419.551 3.136 0 40 HGAB Cc1ccc(=O)n(CC(=O)N2CCCC[C@H]2c2ncc(Cc3ccc(F)cc3)o2)n1 257235281 GXDTXVAOESWMAR-IBGZPJMESA-N 410.449 3.023 0 40 HGAB NC(=O)C[C@@]1(COc2ccccc2)CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 257338383 YXCREKLKWJSHFG-FQEVSTJZSA-N 422.934 3.065 0 40 HGAB CS(=O)(=O)N(CC(=O)NC1CCCCCCC1)c1ccccc1Br 408602018 BSFJDUYORZOLRD-UHFFFAOYSA-N 417.369 3.444 0 40 HGAB CCOC(=O)C1=C(C)N=C(SCC(=O)O)N[C@@H]1c1cccc(Br)c1 408986708 DBJQKZDPADJYHN-CQSZACIVSA-N 413.293 3.104 0 40 HGAB Cc1ccc(Cl)cc1S(=O)(=O)N(Cc1ccccc1)[C@H]1C=CS(=O)(=O)C1 575426036 LETITBVWMMUXJI-KRWDZBQOSA-N 411.932 3.150 0 40 HGAB CCc1ccc(C(=O)N2CCC3(CC2)CC(=O)N(Cc2ccc(OC)cc2)C3)cn1 1565555392 GOSVXGFYVWOXMH-UHFFFAOYSA-N 407.514 3.308 0 40 HGAB Cc1sc2nc(SCCN3CCOCC3=O)n(-c3ccccc3)c(=O)c2c1C 1849169748 RQGLBMAIISXRDN-UHFFFAOYSA-N 415.540 3.015 0 40 HGAB O=C(CCc1ccccc1)Nc1cccc(C(=O)NN2C(=O)c3ccccc3C2=O)c1 1010628 XKDSJIWPGUWPPQ-UHFFFAOYSA-N 413.433 3.199 0 40 HGAB Cc1c(C(C)C)c(=O)n(-c2ccc(S(=O)(=O)N3CCc4ccccc43)cc2)n1C 1423914 FSAOJMSMQGZSPQ-UHFFFAOYSA-N 411.527 3.359 0 40 HGAB COC(=O)C1=CN(Cc2ccc(OC)cc2)C=C(C(=O)OC)C1c1ccc(O)cc1 1459579 RXDLGQUYVYGYNM-UHFFFAOYSA-N 409.438 3.114 0 40 HGAB COc1cc([C@H]2N[C@H](C(=O)O)Cc3c2[nH]c2ccccc32)cc(Br)c1O 1803635 OQHIGQNYZKAIPR-GOEBONIOSA-N 417.259 3.333 0 40 HGAB biogenic NC(=O)c1ccsc1NC(=O)CSc1ncnc2sc3c(c12)CCCC3 2635890 WCOFQDCOOGCMEY-UHFFFAOYSA-N 404.542 3.461 0 40 HGAB COc1cc([C@@H]2NC(=O)c3c(sc4c3CCN(C)C4)N2)cc(Br)c1O 2737395 DJRHLOQXZQKVIX-OAHLLOKOSA-N 424.320 3.067 0 40 HGAB COc1cccc(OC)c1C(=O)OCC(=O)Nc1ccc(Br)cc1F 3219285 LHWOUZXMXZWLNM-UHFFFAOYSA-N 412.211 3.401 0 40 HGAB COc1cccc(-n2c(N)c(C(=O)NC[C@@H]3CCCO3)c3nc4ccccc4nc32)c1 3322019 YAHLLMSDKSOGIX-INIZCTEOSA-N 417.469 3.073 0 40 HGAB Cc1ccc2c(COC(=O)c3ccc(=O)n(Cc4ccccc4)n3)cc(=O)oc2c1 3531488 UIOXSOKXUTYNER-UHFFFAOYSA-N 402.406 3.063 0 40 HGAB CCCCCNC(=O)CN1CC[C@@]2(O)CCCC[C@H]2[C@@H]1c1ccc(O)c(OC)c1 4062565 COYIMEITIZUVMK-TZYHBYERSA-N 404.551 3.375 0 40 HGAB biogenic O=C(CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O)Nc1ccccc1C(F)(F)F 4285198 DHMGEQXLDPNDBK-FQEVSTJZSA-N 417.387 3.428 0 40 HGAB O=C(COC(=O)C(O)(c1ccccc1)c1ccccc1)N1CCC(c2ccccc2)=N1 4328994 FBGTZMUBLPSECO-UHFFFAOYSA-N 414.461 3.102 0 40 HGAB Cc1cc(NS(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3ccccc3)cc2)no1 4914258 MDXWEMYGHQJMFA-AWEZNQCLSA-N 401.444 3.190 0 40 HGAB COc1ccc(S(=O)(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3)cc1C(=O)N1CCCCCC1 4999267 ABMUKSQNQMBGAN-FRQCXROJSA-N 406.548 3.178 0 40 HGAB Cc1cccc(-c2nc(C(N)=O)c3[nH]c(=O)n(-c4ccc(C(C)(C)C)cc4)c3n2)c1 5143485 OFYBBHIBVYLKFD-UHFFFAOYSA-N 401.470 3.481 0 40 HGAB O=C(NCc1ccccn1)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 6346981 APYRHCSADSZERD-UHFFFAOYSA-N 401.875 3.466 0 40 HGAB O=C1c2[nH]nc(-c3ccccc3O)c2[C@H](c2ccc(Br)cc2)N1CCO 6753016 GQFXQGIASOEGGU-SFHVURJKSA-N 414.259 3.082 0 40 HGAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CN1c2ccccc2CC[C@H]1C 6822446 CYPJQLNFJSZLIH-MRXNPFEDSA-N 401.532 3.025 0 40 HGAB CCc1ccc(NC(=O)[C@H](C)OC(=O)/C(=C/c2ccccc2)n2nnnc2C)cc1 7141461 ODNZQNRSAKKFKV-CPOQMQJTSA-N 405.458 3.112 0 40 HGAB CCCc1nnc(S/C(=C\c2cn(CC(=O)OCC)c3ccccc23)C(=O)O)[nH]1 7342343 NAWBOUKILFBAPR-YBEGLDIGSA-N 414.487 3.493 0 40 HGAB CC(C)c1cccc(C(C)C)c1NC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 7668723 NLUDJTLTGHRLJN-HNNXBMFYSA-N 419.547 3.037 0 40 HGAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)Nc1ccc2c(c1)CCC2 7990164 QMJSVMHWBMOWBX-OAHLLOKOSA-N 401.532 3.173 0 40 HGAB CCNC(=O)Nc1ccc(N2CCCC2)c(S(=O)(=O)Nc2ccc(OC)cc2)c1 8195568 XAYRDIZTKLQKJD-UHFFFAOYSA-N 418.519 3.238 0 40 HGAB COc1cc2ncn(CC(=O)Nc3cccc(C(F)(F)F)c3)c(=O)c2cc1OC 8275746 URIOZTKUNKBPDT-UHFFFAOYSA-N 407.348 3.071 0 40 HGAB Cc1cccc(C)c1NC(=O)COC(=O)[C@H](CC(C)C)N1C(=O)c2ccccc2C1=O 8283636 XINVFTFWWFOIMK-IBGZPJMESA-N 422.481 3.496 0 40 HGAB Cc1nc(Cc2nnc(SCC(=O)c3ccc4c(c3)CCC(=O)N4)o2)cs1 8335010 FEQRLILYWPKKKL-UHFFFAOYSA-N 400.485 3.285 0 40 HGAB CCOc1ccc(NC(=O)CCC(=O)OCC(=O)Nc2ccc(OCC)cc2)cc1 8415240 ZRDPBCYQCCTMJM-UHFFFAOYSA-N 414.458 3.385 0 40 HGAB COc1ccc(-c2n[nH]c(NC(=O)Cc3c(C)c4ccc(OC)cc4oc3=O)n2)cc1 9304443 MNOIKKFDZOPPCY-UHFFFAOYSA-N 420.425 3.085 0 40 HGAB O=C(N[C@H](Cc1ccccc1)C(=O)Nc1ccc2c(c1)OCCCO2)c1ccco1 9613953 ISVVYRXLLGBCIH-GOSISDBHSA-N 406.438 3.421 0 40 HGAB Cc1nc2ccccc2n1CCNC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 9883484 OJVHFLGBGQWSCD-GOSISDBHSA-N 405.502 3.405 0 40 HGAB COc1cc(OC)nc(NC(=O)COC(=O)c2ccccc2Oc2ccccc2)n1 9910614 UWYXHWZPBXANQC-UHFFFAOYSA-N 409.398 3.082 0 40 HGAB CCCOC(=O)c1cc(NC(=O)COc2cccc(C)c2)ccc1N1CCOCC1 9934582 SDYBNHILJRNPTE-UHFFFAOYSA-N 412.486 3.416 0 40 HGAB CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)CSc1nncs1 10417133 IKWJYDRCZWAWHT-UHFFFAOYSA-N 424.857 3.400 0 40 HGAB CC(C)c1nccn1CC(=O)N1CCC[C@H](c2nc3ccc(F)cc3cc2C(N)=O)C1 12088410 IDUSHGRXXKWCNK-HNNXBMFYSA-N 423.492 3.199 0 40 HGAB COc1cccc(OC)c1C(=O)N1CCC(c2nc3ccccc3cc2C(N)=O)CC1 12254390 GHNKVZIHNMILTD-UHFFFAOYSA-N 419.481 3.371 0 40 HGAB O=C(Cn1c2c(c(=O)n(C3CCCCC3)c1=O)CCC2)Nc1nc2ccccc2s1 12445124 MWMNWTDOWXJBDZ-UHFFFAOYSA-N 424.526 3.252 0 40 HGAB Cc1cccn2cc(COC(=O)c3ccc4c(c3)C(=O)N(Cc3ccco3)C4=O)nc12 12544463 JSMFOXIVOLGYRG-UHFFFAOYSA-N 415.405 3.389 0 40 HGAB CC(C)CC[C@@H](C)NC(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 12731156 ZEWLGFHLQBXCLD-CQSZACIVSA-N 402.507 3.306 0 40 HGAB Cc1nn(C)c2sc(C(=O)NCC(=O)Nc3ccccc3Br)cc12 12792278 TYKAGSFFLYYDIB-UHFFFAOYSA-N 407.293 3.074 0 40 HGAB COc1ccc(NC(=O)c2cccc(S(=O)(=O)NCc3ccco3)c2)c(OC)c1 12877284 VVCGFPHYIAZHKO-UHFFFAOYSA-N 416.455 3.028 0 40 HGAB Cc1ccc(NC(=O)[C@H]2CC(=O)N(C[C@H]3CCCO3)c3nc4ccccc4n32)cc1 13999281 SKQHUOKHFPMIFW-YLJYHZDGSA-N 404.470 3.440 0 40 HGAB CC(=O)c1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)cc1 14022842 LNMHSESGWOGWMA-GOSISDBHSA-N 400.500 3.237 0 40 HGAB COc1cccc(-c2noc(CSc3nnc(-c4ccccc4OC)n3N)n2)c1 14068938 FWTPJBUUVDGMCQ-UHFFFAOYSA-N 410.459 3.018 0 40 HGAB COc1ccccc1CC(=O)NCCc1cc(OC)c(OC)cc1Br 14185627 WQZCQFRWMUCCMS-UHFFFAOYSA-N 408.292 3.376 0 40 HGAB CCc1cccc(CC)c1NC(=O)CN(CC)S(=O)(=O)c1ccc(OC)cc1 16162315 FIMHUWLPOFIALQ-UHFFFAOYSA-N 404.532 3.469 0 40 HGAB COc1ccc(F)cc1S(=O)(=O)N(C)CC(=O)Nc1ccccc1C(F)(F)F 16188432 PBWARKXDKSCXLE-UHFFFAOYSA-N 420.384 3.112 0 40 HGAB Cn1c(SCC(=O)NCc2ccccc2)nc2c(-c3ccccc3)c[nH]c2c1=O 16841340 KIZFITVSQJCNPG-UHFFFAOYSA-N 404.495 3.337 0 40 HGAB Cc1ccccc1-c1nc2scc(CCNC(=O)C(=O)Nc3ccc(F)cc3)n2n1 17136108 ZODIBJAROFVSJO-UHFFFAOYSA-N 423.473 3.203 0 40 HGAB Cc1cc(-c2cnc(N3CCCC3)nc2[C@@H]2CCCN(Cc3cn(C)nc3C)C2)on1 19122252 HOPWLTUAXMUYAA-GOSISDBHSA-N 421.549 3.462 0 40 HGAB Cc1cccc(N2C[C@@H](c3cc(=O)[nH]c(N[C@@H](C)c4ccccn4)n3)CC2=O)c1C 19235565 VGYPDBKCIBRWRJ-IRXDYDNUSA-N 403.486 3.475 0 40 HGAB COc1ccc2[nH]cc(C(=O)N3CCN(c4nnc(C(F)(F)F)s4)CC3)c2c1 19563162 KVJQLYVAADVIGP-UHFFFAOYSA-N 411.409 3.009 0 40 HGAB COc1cccc([C@@H](NC(=O)[C@H]2CC(=O)N(Cc3ccncc3)C2)c2ccccc2)c1 19564885 VMNFUHBYXNZYLA-URXFXBBRSA-N 415.493 3.345 0 40 HGAB Cc1noc(C)c1CC(=O)N1CCC(c2ccc(C(=O)N3CCCCC3)cn2)CC1 19708286 ABOZWOAJSUVRMU-UHFFFAOYSA-N 410.518 3.261 0 40 HGAB COc1ccc2c(c1)c(C[C@H](C)NC(=O)c1cc(C)nc3c1c(C)nn3C)cn2C 19716320 YEQBMJXUNCAGGQ-ZDUSSCGKSA-N 405.502 3.446 0 40 HGAB Cc1nc([C@@H]2CCN(C(=O)CCc3c[nH]c4ccccc34)C2)nc2c1CCC(=O)N2C 19738958 LOUQZXRMLORCMN-QGZVFWFLSA-N 417.513 3.124 0 40 HGAB O=C1C[C@@H](c2ccc(Cl)cc2)[C@@H](n2cncn2)C(=O)[C@@H]1[C@@H]1NCCc2ccccc21 20218624 NBBYHVVEXVSNGZ-VXSCBNMQSA-N 420.900 3.302 0 40 HGAB COC(=O)c1cccc(NC(=O)CN(c2ccccc2C(C)C)S(C)(=O)=O)c1 22395622 LQVBMWWZUFYGRM-UHFFFAOYSA-N 404.488 3.001 0 40 HGAB COc1cc(C(=O)N[C@H](CN2CCOCC2)c2ccc(C)cc2)cc(Cl)c1OC 24210141 NCUHHKFZQJSRQB-LJQANCHMSA-N 418.921 3.469 0 40 HGAB O=C(Nc1ccc(F)cc1F)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1 24609988 JYLSEDFPUMMRRQ-UHFFFAOYSA-N 412.433 3.284 0 40 HGAB CCOc1ccc(/C=c2\sc3nc(/C=C/c4ccc(OC)cc4)nn3c2=O)cc1 27022522 ONJBHFBELCHEDT-ILPOUQNUSA-N 405.479 3.276 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)Nc2ccc(OC)cc2)c(C)c1 28207712 GNSOBXQHJOQQNT-UHFFFAOYSA-N 406.504 3.052 0 40 HGAB CCOC(=O)N1CCN(CCC(=O)N[C@@H](c2ccccc2)c2cccs2)CC1 28843713 CGYRFSISXUMITF-FQEVSTJZSA-N 401.532 3.118 0 40 HGAB O=C(NC1Cc2ccccc2C1)C1CCC(CNS(=O)(=O)c2ccccc2)CC1 32090619 FHEXMMLNMOHPQU-UHFFFAOYSA-N 412.555 3.055 0 40 HGAB COc1ccc(CSC2=N[C@H]3CS(=O)(=O)C[C@H]3N2c2ccc(C)cc2)cc1 32639761 NELOUFMUSBJBJU-RBUKOAKNSA-N 402.541 3.279 0 40 HGAB C[C@@H](C(=O)NCc1ccccc1)N1CCN(Cc2ccc(Br)s2)CC1 32679548 KWKBNQBXIUUJIV-HNNXBMFYSA-N 422.392 3.333 0 40 HGAB Cc1noc(C)c1COc1cccc(C(=O)NCc2ccc(-n3ccnc3)nc2)c1 32876124 LQVJPLVVXJRHKD-UHFFFAOYSA-N 403.442 3.381 0 40 HGAB CCCC[C@H](OC(=O)c1cc(S(C)(=O)=O)ccc1C)C(=O)Nc1cc(C)on1 32895882 YAWPWQZQVLZEEO-INIZCTEOSA-N 408.476 3.049 0 40 HGAB Cc1ccc(-c2noc(COC(=O)c3cc(S(C)(=O)=O)ccc3C)n2)cc1F 32895883 RMZMVFZFDVAMBF-UHFFFAOYSA-N 404.419 3.253 0 40 HGAB CNC(=S)N1CCc2cc(OC)c(OC)cc2[C@H]1c1cc2cccc(C)c2[nH]c1=O 35313548 LXCDYQPLJAXWEZ-NRFANRHFSA-N 423.538 3.306 0 40 HGAB C[C@H](NC(=O)CN1CCN(C(=O)c2ccccc2)CC1)c1ccc2ccccc2c1 35421699 ORBUCBVDZQEVJX-IBGZPJMESA-N 401.510 3.475 0 40 HGAB CCOCCCNC(=O)c1sc(-c2nnn(-c3ccc(OC)cc3)c2C)nc1C 38654979 OOJAZBWRCQJUFN-UHFFFAOYSA-N 415.519 3.173 0 40 HGAB CN(C)C[C@H](CNC(=O)Nc1cccc(N2CCCCC2=O)c1)[C@@H](O)c1ccccc1 40104957 GWZYOBTUZIUZIP-CVDCTZTESA-N 424.545 3.236 0 40 HGAB C[C@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccccc1 40112191 QXAICYGBTJMMIH-DNVCBOLYSA-N 406.935 3.241 0 40 HGAB Cc1ccc2c(c1)c(=O)n(C)c1nnc(CSc3nnc(Cc4ccccc4)o3)n21 40114222 XDVPIRGRMGNHDC-UHFFFAOYSA-N 418.482 3.156 0 40 HGAB CCN1CCN(c2ccc(CNC(=O)c3csc(-c4cccs4)n3)cn2)CC1 40121468 ANSUKODGFVUBLP-UHFFFAOYSA-N 413.572 3.339 0 40 HGAB COc1ccc(NC(=O)c2c(Cl)c3ccccc3n2C)cc1S(=O)(=O)N(C)C 40145081 DPFDXKANKWXING-UHFFFAOYSA-N 421.906 3.343 0 40 HGAB Cc1nccn1C[C@H](C)CNC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCCC3 40156066 CDDVKCDRQLFNHI-MRXNPFEDSA-N 407.518 3.084 0 40 HGAB O=C(OCC(=O)N1CCC[C@H](C(F)(F)F)C1)C1=Cc2cc(Cl)ccc2OC1 61058153 ISDAXDKEWGURFZ-ZDUSSCGKSA-N 403.784 3.460 0 40 HGAB O=C(CN1CCN(c2cc(F)cc(F)c2)CC1)N[C@@H]1CCC[C@H](C(F)(F)F)C1 65492692 VOYQLUMNQPIZCP-XJKSGUPXSA-N 405.411 3.324 0 40 HGAB COc1ccc2c(c1)O[C@]1(C[C@H]3CC[C@@H]1C[C@@H]3C(=O)NCc1cccs1)NC2=O 72339164 TWBQDQTVERPRNQ-XEXNZASOSA-N 412.511 3.328 0 40 HGAB Cc1nccc(-c2sc(C3CCN(C(=O)c4ccc(C)[nH]c4=O)CC3)nc2C)n1 72340151 BLHFELWHPGCIDJ-UHFFFAOYSA-N 409.515 3.233 0 40 HGAB CCC(CC)C(=O)N1CCC(c2cc3nc4c(c(O)n3n2)CN(C(C)C)CC4)CC1 72389798 FJAZUOUEYFVAQR-UHFFFAOYSA-N 413.566 3.344 0 40 HGAB COc1cccc(CN2C[C@H](c3cn(C)c4ccc(OC)cc34)[C@@H](NC(C)=O)C2)c1 72395549 KAEHZSISVCNDSG-PKTZIBPZSA-N 407.514 3.300 0 40 HGAB C[C@H]1Oc2ccccc2N(CCC(=O)N(Cc2cccs2)C[C@@H]2CCCO2)C1=O 78958522 RDHXDSHHVVTDDH-SJORKVTESA-N 414.527 3.460 0 40 HGAB Cc1cccc(CN(CC(=O)NC(=O)NCc2cccs2)Cc2cccc(C)n2)n1 79052068 YPONDZKPPJTYCB-UHFFFAOYSA-N 423.542 3.183 0 40 HGAB CCN(CC)C(=O)[C@H]1CSCN1C(=O)Cc1nc(-c2ccc(F)cc2)cs1 96012370 FMUUTZKJKKALJZ-MRXNPFEDSA-N 407.536 3.262 0 40 HGAB CCN1[C@H]2CCN(Cc3ccc(OC)cc3)CC[C@@H]2Oc2ccccc2S1(=O)=O 96145741 QMTWWYHGYZVFOZ-PMACEKPBSA-N 416.543 3.131 0 40 HGAB CC(C)n1c2ccccc2c2c1cc(C(=O)NCCc1ccccn1)n2S(C)(=O)=O 96146386 CSLXEWGGVSRNKR-UHFFFAOYSA-N 424.526 3.352 0 40 HGAB CN1CCN(Cc2ccccc2)C2(CCN(C(=O)c3ccc4[nH]ccc4c3)CC2)C1=O 96230326 HGAMQJUSVBFLSS-UHFFFAOYSA-N 416.525 3.117 0 40 HGAB Cc1nn(-c2nc3ccccc3o2)c(O)c1[C@H]1CC(=O)N(c2ccccc2F)C1=O 100068966 RUICPTNFNTWHFM-GFCCVEGCSA-N 406.373 3.214 0 40 HGAB CCCCN1C(=O)[C@H]2ON(c3ccccc3)[C@H](c3ccc(OC)cc3OC)[C@@H]2C1=O 100626313 IXQNZHPLCJRLSM-HBMCJLEFSA-N 410.470 3.350 0 40 HGAB CC[C@@H](C)NC(=O)COc1c(Br)cc(C(=O)O)cc1Br 217735206 OBCDCKSXAPSDHE-SSDOTTSWSA-N 409.074 3.203 0 40 HGAB O=C(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)Nc1ccccc1C(=O)c1ccccc1 219017700 XHBKGFMRUJGVLK-HDICACEKSA-N 402.450 3.197 0 40 HGAB Cc1ccc(OC[C@@H](C)NS(=O)(=O)c2ccc(N3CCCC3=O)c(C)c2)cc1 219224333 DEYSETJYYYHZNJ-QGZVFWFLSA-N 402.516 3.176 0 40 HGAB CC(=O)N(Cc1ccc(F)cc1)[C@@H](Cc1ccccc1)C(=O)NCc1cccnc1 223191376 BWKMGCBZXVPJOL-QHCPKHFHSA-N 405.473 3.497 0 40 HGAB CCC(=O)Nc1nnc(S(=O)(=O)N[C@@H](c2ccccc2)c2ccccc2C)s1 223329228 HHSUWMMQCXUOFF-KRWDZBQOSA-N 416.528 3.263 0 40 HGAB Cc1cccc(N(CC(=O)NCCOc2ccccc2C(C)C)S(C)(=O)=O)c1 223755714 FAKZDYSSZLLHPQ-UHFFFAOYSA-N 404.532 3.080 0 40 HGAB COc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)NC[C@H]3CCCO3)c2)cc1 224071183 ICXDOLZQKQKCDX-OAHLLOKOSA-N 424.906 3.058 0 40 HGAB COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccco2)cc1 225204265 VCGVEQFGILOVMH-VQTJNVASSA-N 408.483 3.437 0 40 HGAB O=C(NCCCc1ccccc1Cl)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 225510488 RZHJNHUMEHQADB-SFHVURJKSA-N 420.962 3.490 0 40 HGAB CCOc1ccc(-c2noc(CNC(=S)Nc3cccc(C(=O)OC)c3)n2)cc1 225831784 JEIDCWHUVXKHQP-UHFFFAOYSA-N 412.471 3.409 0 40 HGAB CN(C(=O)c1c[nH]nc1[C@@H]1CCCN(C(=O)C[C@@H]2CCCCO2)C1)C1CCCCC1 257252178 JTVAVPJEDXPVHC-MJGOQNOKSA-N 416.566 3.480 0 40 HGAB CCOc1ccc(N([C@H](C)C(=O)NCCSC2CCCC2)S(C)(=O)=O)cc1 260761177 FSIHNELZEKQCEQ-OAHLLOKOSA-N 414.593 3.032 0 40 HGAB COC(=O)c1cc(S(=O)(=O)NCCCN2c3ccccc3C[C@H]2C)ccc1Cl 260798492 UECNTVOUALRYTI-CQSZACIVSA-N 422.934 3.246 0 40 HGAB Cc1ccc(C(=O)NC[C@H]2CC[C@@]3(COCCN(Cc4cccs4)C3)O2)cc1 306137487 QXRIRPBAVVWQMS-DENIHFKCSA-N 400.544 3.237 0 40 HGAB O=C(COc1ccc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)cc1)NC1CC1 408555529 GFYWVHRQSRBMFU-UHFFFAOYSA-N 415.298 3.452 0 40 HGAB COc1ccc(S(=O)(=O)NCc2ccco2)cc1NC(=O)c1ccc(C)cc1 408561664 UTZWDRYHXOWBHP-UHFFFAOYSA-N 400.456 3.327 0 40 HGAB O=C(COC(=O)c1cccc(N2C(=O)[C@H]3CCCC[C@H]3C2=O)c1)Nc1ccc(F)cc1 408659096 LZGNVAWCOKAWFF-KDURUIRLSA-N 424.428 3.301 0 40 HGAB O=C(NCCn1nc2c(cc1=O)CCCC2)c1ccc2noc(-c3ccccc3)c2c1 575618009 DAEYVWRHUYQNDJ-UHFFFAOYSA-N 414.465 3.360 0 40 HGAB Cn1[nH]cc2/c(=N\C(=O)COc3ccc4ccccc4c3Br)ccnc1-2 585079637 ZBKJRQCAMXGFED-HAHDFKILSA-N 411.259 3.275 0 40 HGAB O=C(Nc1ccccc1)c1nnc2n1CC[C@]1(CC2)CCN(C(=O)c2ccccc2)C1 585107298 SQPQLLZZJOXJLI-DEOSSOPVSA-N 415.497 3.399 0 40 HGAB Cn1ccc(CC(=O)N2CC[C@@H](OCc3ccncc3)[C@H](Cc3ccccc3)C2)n1 585113503 SYEVMXWBEAHCMV-FYYLOGMGSA-N 404.514 3.034 0 40 HGAB Cc1ccc(S(=O)(=O)N(CC(=O)N2CCOCC2)c2ccc(C(C)C)cc2)cc1 654558 BCKONRBPHBTPTE-UHFFFAOYSA-N 416.543 3.173 0 40 HGAB COc1cccc(N(CC(=O)Nc2cccnc2)S(=O)(=O)c2ccc(C)cc2)c1 889029 KIFSSRSRKJWKJQ-UHFFFAOYSA-N 411.483 3.233 0 40 HGAB Cn1cc(/C=C(\NC(=O)c2ccccc2Cl)C(=O)NCCCO)c2ccccc21 2357130 OEGLTQIARABYEN-UYRXBGFRSA-N 411.889 3.101 0 40 HGAB O=C(CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)Nc1cccnc1Cl 2638858 RIXLKOHAWHYWMN-UHFFFAOYSA-N 420.856 3.169 0 40 HGAB CC(=O)Nc1ccc(OS(=O)(=O)C(F)(F)C(F)(F)OC(F)(F)Cl)cc1 3066942 FHQZDTILCPKCMI-UHFFFAOYSA-N 415.695 3.345 0 40 HGAB O=C(COc1c(CO)cc(Br)cc1CO)N[C@H]1CCCc2ccccc21 3344836 RTHFUKLZJBIHDQ-SFHVURJKSA-N 420.303 3.006 0 40 HGAB COc1cc(C(=O)COC(=O)c2cnc(Cl)c(Cl)c2)cc(OC)c1OC 3350623 CLQCTHCBICSOIR-UHFFFAOYSA-N 400.214 3.454 0 40 HGAB COc1cc(CCC(=O)OCC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)cc(OC)c1OC 4806457 PWSFFFOPVWYZFN-BFYDXBDKSA-N 407.507 3.129 0 40 HGAB O=C(COC(=O)CNC(=O)C1CCCCC1)Nc1ccc(SC(F)F)cc1 4827881 ZTBXUBQFOCMKDZ-UHFFFAOYSA-N 400.447 3.180 0 40 HGAB CCC(C)(C)NC(=O)CN(C(=O)CCC(=O)Nc1nccs1)c1ccc(F)cc1 4848376 MFFQTNJBGKAGIW-UHFFFAOYSA-N 420.510 3.339 0 40 HGAB CSCC[C@@H](NC(=O)C1CCC(C)CC1)C(=O)NCCCN1CCCC[C@@H]1C 4872181 JLOSPIYCCFPMEJ-ZUPWUQBJSA-N 411.656 3.431 0 40 HGAB COc1ccccc1C[C@]1(C)NC(=O)N(CC(=O)c2cc(C)n(C3CC3)c2C)C1=O 5224462 MFAFJQKHTMDAED-QHCPKHFHSA-N 409.486 3.184 0 40 HGAB O=C(CSc1nc(=O)n(Cc2ccccn2)c2c1CCC2)Nc1ccc(F)cc1 5263886 GHMJGTBSLFXNEB-UHFFFAOYSA-N 410.474 3.045 0 40 HGAB O=C(Cn1cnc2c(cnn2-c2ccccc2)c1=O)c1ccc(Br)cc1 5428015 ISNIPZCUMFAWGU-UHFFFAOYSA-N 409.243 3.228 0 40 HGAB CCNS(=O)(=O)c1ccc(CCC(=O)Nc2ccccc2Br)cc1 6349377 KSMLTHPRBOFOCH-UHFFFAOYSA-N 411.321 3.319 0 40 HGAB COc1ccc(NC(=O)C2CCC(Cn3nnc4ccccc4c3=O)CC2)c(OC)c1 6658639 NOGXPMWUROQFKT-UHFFFAOYSA-N 422.485 3.254 0 40 HGAB Cc1ccc(Cl)c(NC(=O)CSc2n[nH]c(=O)n2C[C@@H]2CCCO2)c1Cl 7351741 HSIQWXCMZHASDS-JTQLQIEISA-N 417.318 3.096 0 40 HGAB O=C(Nc1ccc2c(c1)OCO2)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl 7597935 OGDWCSKDGOPIKB-UHFFFAOYSA-N 408.863 3.106 0 40 HGAB Cc1ccc(S(=O)(=O)CCC(=O)OCC(=O)Nc2ccccc2Cl)cc1C 7940038 WLEWTBXOGPAUSA-UHFFFAOYSA-N 409.891 3.303 0 40 HGAB CCNc1ccc(S(=O)(=O)N(CC)CC)cc1NCC(=O)Nc1ccc(F)cc1 7978470 XMXAIEVKRRPWIK-UHFFFAOYSA-N 422.526 3.339 0 40 HGAB COc1cccc(C(=O)NC[C@@H](c2cccnc2)S(=O)(=O)c2cccs2)c1 8022207 HBZLBFGGYIBZJX-KRWDZBQOSA-N 402.497 3.097 0 40 HGAB CCOc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3c(C)cccc3C)C2)cc1 8040034 UZUHRYUWBHYWQN-QGZVFWFLSA-N 410.470 3.237 0 40 HGAB COc1ccc(S(=O)(=O)Nc2c(F)cccc2F)cc1C(=O)N1CCCCC1 8560571 SEMNAHRCFDNUOQ-UHFFFAOYSA-N 410.442 3.400 0 40 HGAB CCCCCn1c(=O)c2c(nc3n2C[C@@H](C)CN3c2ccc(CC)cc2)n(C)c1=O 8625546 MHROYIAFZPOVCW-INIZCTEOSA-N 409.534 3.437 0 40 HGAB CCN(C(=O)c1sc2nc(C)cc(C)c2c1-n1cccc1)[C@@H]1CCS(=O)(=O)C1 9220894 JAUCSUVBXBBSHX-OAHLLOKOSA-N 417.556 3.353 0 40 HGAB Cc1nn(-c2ccccc2)c2c1[C@H](c1ccncc1)[C@@H](NC(=O)c1ccccc1)C(=O)N2 9338812 XSBYLSLMGDZLCV-FCHUYYIVSA-N 423.476 3.458 0 40 HGAB Cc1cc(C)cc(NC(=O)CSc2nc3nccnc3c(=O)n2Cc2ccco2)c1 9405226 WJYRMLRKKMQECE-UHFFFAOYSA-N 421.482 3.175 0 40 HGAB CCCc1nnc(NC(=O)CSc2nc3sc4c(c3c(=O)[nH]2)CCCC4)s1 9427072 GTANVVRYESKLKH-UHFFFAOYSA-N 421.573 3.398 0 40 HGAB Cc1ccc(NS(=O)(=O)c2cccc(Cl)c2Cl)cc1S(=O)(=O)N(C)C 9539499 WSYVILKEVBWSOY-UHFFFAOYSA-N 423.343 3.353 0 40 HGAB Cc1ccc(-n2ccnc2SCC(=O)N(CCC(N)=O)Cc2ccccc2)c(C)c1 11872392 UHYMKGDZZDBDQO-UHFFFAOYSA-N 422.554 3.485 0 40 HGAB CCc1cc(O)n2nc([C@@H]3CCCN(C(=O)[C@@H](C)Cn4nc(C)c(C)c4C)C3)cc2n1 12134692 ZWIFYTSAJMUKSK-KBXCAEBGSA-N 424.549 3.161 0 40 HGAB Cc1nn(CC(=O)N2CCC[C@H](n3nnc4cc(C(F)(F)F)ccc43)C2)c(C)c1C 12184950 CZYOIXCNPRJZIR-INIZCTEOSA-N 420.439 3.436 0 40 HGAB COc1ccc(NC(=O)c2ccc(CN3C(=O)c4ccccc4S3(=O)=O)cc2)cc1 12512007 ZZHZHOMSDBKJQX-UHFFFAOYSA-N 422.462 3.292 0 40 HGAB Cc1cccc(NC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc4C3)c2)n1 12528494 FBLHEPUOYPBJOS-UHFFFAOYSA-N 407.495 3.389 0 40 HGAB CCOC(=O)CC(=O)CSc1nc2sc(CC)cc2c(=O)n1Cc1ccco1 12583821 CLQATROTFGBUBP-UHFFFAOYSA-N 420.512 3.276 0 40 HGAB Cn1nc(-c2ccc(F)cc2)cc1[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)c1ccco1 12602106 NGHFULGNKVGKNX-UHOSZYNNSA-N 408.477 3.427 0 40 HGAB biogenic,in-vitro CC(C)Nc1nnc(SCC(=O)NC2CCN(Cc3ccccc3)CC2)s1 12757468 UJAMDVJQIVNCJT-UHFFFAOYSA-N 405.593 3.231 0 40 HGAB O=C(COCc1nc2ccccc2c(=O)[nH]1)Nc1ncc(Cc2ccc(F)cc2)s1 12776011 BTELGYDOLUAONP-UHFFFAOYSA-N 424.457 3.265 0 40 HGAB CCS(=O)(=O)N1CCC(C(=O)Nc2ccc(Br)cc2Cl)CC1 12787849 QJJLEEKIRGDZCO-UHFFFAOYSA-N 409.733 3.103 0 40 HGAB O=S(=O)(NC1CCN(Cc2ccccc2)CC1)c1ccc(Br)s1 12789592 GTKZUSHXFFNSHA-UHFFFAOYSA-N 415.378 3.454 0 40 HGAB C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)OCC(=O)c3ccccc3)cc2)C1 13141912 KRHRPXYAPCYRPV-CALCHBBNSA-N 415.511 3.393 0 40 HGAB CC(C)COC(=O)[C@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OCC(C)C)[C@@H]1c1ccc(F)cc1 13617397 XPJNTNUMQIGRLO-NVJIOZQYSA-N 422.493 3.264 0 40 HGAB Cc1ccc([C@H]2CCCN2C(=O)CC[C@]2(c3ccccc3)NC(=O)NC2=O)cc1C 19213729 ZZQDSOAPDNHNKI-HYBUGGRVSA-N 405.498 3.482 0 40 HGAB NC(=O)[C@@]1(Cc2ccc(-c3ccccc3F)cc2)CCCN(C(=O)[C@H]2CCCO2)C1 19368363 IGNIRTPOCZWKLS-ZJSXRUAMSA-N 410.489 3.308 0 40 HGAB CC(C)NC(=O)[C@]1(Cc2ccccc2-c2cncnc2)CCCN(C(=O)C2CC2)C1 19448681 XYZVOHOHFBRCRY-DEOSSOPVSA-N 406.530 3.230 0 40 HGAB COc1ccc(-c2nnc3n2[C@H]2CCCC[C@H]2N(C(=O)c2ccccn2)C3)cc1OC 19561678 WEMZQSXEYMKMQH-MSOLQXFVSA-N 419.485 3.497 0 40 HGAB Cc1noc(C)c1CC(=O)NCCn1ncc(-c2cnccn2)c1-c1cccs1 19580501 AEDCLHPUTJBQLB-UHFFFAOYSA-N 408.487 3.032 0 40 HGAB COc1ccccc1/C=C/CN1CCO[C@@H](c2c(C(N)=O)sc3ncccc23)C1 19703325 JBLRZJMCRWGXJO-SUQGKYDKSA-N 409.511 3.491 0 40 HGAB Cn1c(=O)c(C(=O)N[C@@H](CCN2CCCCC2)c2ccccc2)nc2ccccc21 19718901 ALEKTNZOHSUZCB-IBGZPJMESA-N 404.514 3.281 0 40 HGAB CC(C)CNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(F)c(F)c2F)cc1 20019486 ZTIOMBPIECRPED-UHFFFAOYSA-N 416.421 3.056 0 40 HGAB Cc1cccc(OCC(=O)Nc2ccc(N3CCN(C(=O)C(F)(F)F)CC3)cc2)c1 20528895 AKSHUJHUVCEEGC-UHFFFAOYSA-N 421.419 3.223 0 40 HGAB O=C(CN1CCN(c2nc(-c3cccs3)nc3ccccc23)CC1)N1CCCC1 21790851 ZSRHFIKBOHOTBZ-UHFFFAOYSA-N 407.543 3.103 0 40 HGAB O[C@@H](COc1ccc(Cl)cc1)CSc1nnc(NC[C@@H]2CCCO2)s1 22093566 HNAAGCYTYYWKBM-JSGCOSHPSA-N 401.941 3.314 0 40 HGAB Cc1cccc(CCCNC(=O)CN(c2ccc(OC(C)C)cc2)S(C)(=O)=O)c1 22394510 IGEGHYUBJIAYCR-UHFFFAOYSA-N 418.559 3.297 0 40 HGAB C[C@H](C(=O)N[C@H]1CCCc2ccccc21)N1CCN(Cc2ccc3c(c2)CCO3)CC1 23247943 FVDMGCOPSXVNMV-DVECYGJZSA-N 419.569 3.321 0 40 HGAB O=C(N[C@H]1CCS(=O)(=O)C1)c1ccc(COc2cccc(Cl)c2Cl)o1 27984783 AKTOYVONSVVJRW-JTQLQIEISA-N 404.271 3.082 0 40 HGAB CCOC(=O)C1CCN(c2ccc(S(=O)(=O)N(CC)c3ccccc3)cn2)CC1 28939789 GQZGJRQIPYLUGQ-UHFFFAOYSA-N 417.531 3.076 0 40 HGAB COc1ccc(NC(=O)Cn2cnc3c(-c4ccc(C)cc4)nsc3c2=O)cc1 33300040 VNJUWBMOPJJBBV-UHFFFAOYSA-N 406.467 3.476 0 40 HGAB CCCn1c(=O)[nH]c(=O)c2c(C(=O)N3c4ccccc4C[C@H]3C)cc(C(C)C)nc21 40063258 NJCWLTAHBATLEC-CQSZACIVSA-N 406.486 3.210 0 40 HGAB CCN(CC)[C@H](CNC(=O)N1CCN(c2nccs2)CC1)c1cccc(OC)c1 40071231 HCLHSGPNMDXOSM-LJQANCHMSA-N 417.579 3.066 0 40 HGAB COc1cc([C@H](C)NC(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)ccc1OCC(C)C 40087560 NGZPIZPCNJLJRB-SZMVWBNQSA-N 416.518 3.082 0 40 HGAB O=C(/C=C/c1ccc(Br)o1)Nc1ccc(N2CCNC(=O)C2)c(Cl)c1 40106935 QFSDPLFGHCBJBM-ZZXKWVIFSA-N 424.682 3.284 0 40 HGAB O=C(Nc1ccc(N2C(=O)CCCC2=O)cc1)N1CCN(Cc2ccccc2)CC1 48355023 HUWYRUUDAQUKEN-UHFFFAOYSA-N 406.486 3.080 0 40 HGAB COc1ccc(OCc2noc(CNC(=O)c3ccc(-n4cccc4)cc3)n2)cc1 49027309 AVYKKTFESSDJEJ-UHFFFAOYSA-N 404.426 3.378 0 40 HGAB Cc1cccc(N(C)C(=O)CSc2nc3[nH]ncc3c(=O)n2-c2ccccc2)c1 51316687 NLSSNAFSBYLQOI-UHFFFAOYSA-N 405.483 3.172 0 40 HGAB O=C(Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1)[C@H]1CCS(=O)(=O)C1 53896392 MUGBWQOIHLBNRI-NSHDSACASA-N 404.435 3.126 0 40 HGAB Cc1cccc(NC(=O)Cn2c(=O)n(CCc3cccs3)c(=O)c3ccccc32)c1 57473247 CCJWVNYHAVPRSE-UHFFFAOYSA-N 419.506 3.415 0 40 HGAB COCCn1cc(NC(=O)N2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)cn1 58160162 WLIBLGVWPCVICX-OAHLLOKOSA-N 414.441 3.130 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC[C@H](CNC(=O)Nc3ccc(C)cc3)C2)cc1 58249779 WZXZPXITKKSBLD-QGZVFWFLSA-N 417.531 3.226 0 40 HGAB CCN(CC)CCOc1ccc(C(=O)N2CCC[C@@H]2c2nnc3ccccn23)cc1 59336028 WYBBDKAXWZNHTP-HXUWFJFHSA-N 407.518 3.427 0 40 HGAB CN(C)CCN(CC(=O)OC(C)(C)C)C(=O)CCc1ccccc1Br 70004130 NTWNWTCXFNICHG-UHFFFAOYSA-N 413.356 3.114 0 40 HGAB CCN1CC[C@]2(CCC1=O)C[C@@H](NC(=O)c1ccc3c(c1)OCO3)c1ccccc1O2 72327826 XYOIRJWLDNAAJH-HOYKHHGWSA-N 422.481 3.440 0 40 HGAB Cc1cc(Cc2ccccc2)cc([C@H]2CCCN(C(=O)c3ccc(=O)n(C)n3)C2)n1 72354125 CMLYLBLEARGVED-FQEVSTJZSA-N 402.498 3.094 0 40 HGAB CCOc1ccc2[nH]c(=O)c(CNc3ccc(N4CCN(C(C)=O)CC4)cc3)cc2c1 72396124 FGVVAQQSKBZNQK-UHFFFAOYSA-N 420.513 3.207 0 40 HGAB CC(C)(C)OC(=O)N1CCC2(CC1)CN(C(=O)OCc1ccccc1)C[C@H]2C(=O)O 91302609 YYMFOZZYJSNYCY-KRWDZBQOSA-N 418.490 3.357 0 40 HGAB in-vitro COc1ccc(NC(=O)[C@@H](C)n2nc(-c3ccc(OC)cc3)c(OC)cc2=O)cc1 96101016 VUUNYMHDKYMZHL-CQSZACIVSA-N 409.442 3.136 0 40 HGAB O=C(NCCn1cccc1)[C@H]1CCCN(c2cc(-n3ccc4ccccc43)ncn2)C1 96124068 YCYUZFOPDSKABW-FQEVSTJZSA-N 414.513 3.255 0 40 HGAB COc1cc2c(cc1OC)CC(=O)N(CC(=O)NCc1ccc(Cl)cc1)C=C2 96231248 NFGJNUWMWBRDAQ-UHFFFAOYSA-N 400.862 3.029 0 40 HGAB Cc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1Cl 107079028 OSLZLXPFTSDHGI-ZDUSSCGKSA-N 404.825 3.322 0 40 HGAB CC(=O)O[C@H]1C[C@H]2CCCC[C@]2(C)[C@H]2C[C@@H](OC(C)=O)[C@]3(C)CCC(=O)[C@@]3(O)[C@H]12 118925117 OCASYMYIISJFFR-FQIGMIRJSA-N 406.519 3.186 0 40 HGAB CN1[C@H]2CC[C@H]1[C@H](C(=O)N1CCCC1)[C@H](c1ccc(I)cc1)C2 137903490 HPQILAIJSLHQQC-XLAORIBOSA-N 424.326 3.480 0 40 HGAB O=C(NCCSc1ccccc1)c1ccc(CS(=O)(=O)N2CCCC2)cc1 216419826 ANMNPGBBNSRIDI-UHFFFAOYSA-N 404.557 3.134 0 40 HGAB O=C(COc1ccccc1Cl)N1CCc2cc(S(=O)(=O)N3CCCC3)ccc21 223086548 OMBOMSKYICYEEU-UHFFFAOYSA-N 420.918 3.093 0 40 HGAB CCC(CC)NC(=O)c1ccc(NS(=O)(=O)c2ccc(OC)c(OC)c2)cc1 223991790 ZTNZBETYUYDELJ-UHFFFAOYSA-N 406.504 3.423 0 40 HGAB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NC[C@@H]3CCCO3)c(Cl)c2)cc1 224240334 MYVKSQQWYZQLCX-INIZCTEOSA-N 422.934 3.382 0 40 HGAB COc1ccc(C(=O)NC(C)(C)C)cc1CN(C)S(=O)(=O)c1ccc(C)cc1 224776608 FTWGASULBXSMAQ-UHFFFAOYSA-N 404.532 3.353 0 40 HGAB CSc1ccc(S(=O)(=O)N(CC(=O)O)c2ccccc2Br)cc1 224979548 BZWVGNXHFKCFOD-UHFFFAOYSA-N 416.318 3.451 0 40 HGAB COc1cc2c(cc1S(=O)(=O)Nc1ccc3c(c1)sc(=O)n3C)CCCC2 225070596 SGEUYIPYQWPJDO-UHFFFAOYSA-N 404.513 3.288 0 40 HGAB O=C(NC(c1ccccc1)c1ccccc1)N1CC(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)C1 238838017 HEHKGNPVIHXPJC-NHCUHLMSSA-N 415.493 3.121 0 40 HGAB C[C@H](C(=O)Nc1ncc(Cc2ccccc2)s1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O 253376791 UZNDGXHPKYXABD-FUXXODJASA-N 409.511 3.092 0 40 HGAB CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N[C@H](C)c1ccc(C)cc1 260836877 AVQMDRPRMSFXJW-UZLBHIALSA-N 404.532 3.426 0 40 HGAB CC(C)(C)C(=O)N1[C@H]2c3ccc4c(c3[C@H]1[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12)OCO4 261828342 KOVBLSKSOKLBAW-RDGPPVDQSA-N 418.449 3.205 0 40 HGAB CCc1ncnc(O[C@@H]2CCN(C(=O)c3sc(-n4cccc4)nc3C)C2)c1F 390827844 LBCNPBNFWGPUMH-CYBMUJFWSA-N 401.467 3.027 0 40 HGAB COc1cc(OC)cc(C(=O)N2CCN([C@@H](CCC(=O)O)c3ccccc3)CC2)c1 408604900 FSQCZBNBMOLCJW-NRFANRHFSA-N 412.486 3.068 0 40 HGAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 408605728 NINHYXHROPANMZ-GFCCVEGCSA-N 416.421 3.410 0 40 HGAB COc1cc(/C=C2\S[C](Nc3ccccc3F)NC2=O)ccc1OCC(=O)O 408808641 MUMFTKIGWIDCHM-UHFFFAOYSA-N 403.411 3.061 0 40 HGAB CCN(CC)Cc1ccc(C(=O)Nc2ccccc2N2CCC(C(N)=O)CC2)cc1 548414297 FGMQMNYLEFAFMV-UHFFFAOYSA-N 408.546 3.482 0 40 HGAB C[C@@H]1c2cc3c(cc2C2(CCCC2)CN1C(=O)c1ccc2nc(O)[nH]c2n1)OCCO3 555553304 SVFBAAUODOHUEJ-CYBMUJFWSA-N 420.469 3.464 0 40 HGAB COC(=O)c1cnc(SC[C@@H]2CCOC2)n(-c2ccc(C(F)(F)F)cc2)c1=O 2087065426 QBGFDTGYLTXHMA-LLVKDONJSA-N 414.405 3.167 0 40 HGAB CCOC(=O)c1ccc(N2C(=O)C(Cl)=C(Nc3cccc(OC)c3)C2=O)cc1 956183 PBQXUCAPRSLWHP-UHFFFAOYSA-N 400.818 3.308 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccccc3)C2)cc1Cl 1363508 PMASLUPEUGAOCU-QGZVFWFLSA-N 406.935 3.366 0 40 HGAB CN1CCc2c(sc3c2C(=O)N[C@@H](c2cc4c(cc2Br)OCO4)N3)C1 2311661 DZDSTWKDEIBPOD-OAHLLOKOSA-N 422.304 3.081 0 40 HGAB CCNC(=O)NC(=O)[C@H](C)Sc1nnc(-c2cccs2)n1Cc1ccccc1 2640537 DJQZKHBHDKFJRN-ZDUSSCGKSA-N 415.544 3.381 0 40 HGAB Cc1ccc(NC(=O)COC(=O)c2ccc3c(c2)OCCO3)c(Br)c1 3316636 FKJACXUFBNNCKF-UHFFFAOYSA-N 406.232 3.324 0 40 HGAB COc1ccc(OCC(=O)OCC(=O)Nc2ccc(Br)cc2F)cc1 3349710 CPQFVIMJHMZELR-UHFFFAOYSA-N 412.211 3.158 0 40 HGAB COc1ccc2cc(CCNC(=O)COc3ccc4ccccc4c3)c(=O)[nH]c2c1 4032859 YTOXXTUOINFGJN-UHFFFAOYSA-N 402.450 3.428 0 40 HGAB Cc1ccc(C(=O)COC(=O)C2CCC(N3C(=O)[C@H]4[C@H]5CC[C@H](C5)[C@H]4C3=O)CC2)cc1 4543596 QFQNABIZLIPWHD-WCKHGGLMSA-N 423.509 3.311 0 40 HGAB Cc1ccc(Cl)cc1N1CCN([C@H]2CC(=O)N(c3ccc(F)cc3)C2=O)CC1 4622933 PGWBFONPSPRNLX-IBGZPJMESA-N 401.869 3.242 0 40 HGAB CCOCCCNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(C)(C)C)cc1 4873178 OOPUKRBPMKWWEX-IBGZPJMESA-N 410.580 3.070 0 40 HGAB COc1ccc(N(CC(=O)NC(C)C)S(=O)(=O)c2ccc(C)cc2)cc1Cl 4977212 GQKYBXUMABGXTM-UHFFFAOYSA-N 410.923 3.377 0 40 HGAB Cc1ccc(Cl)cc1-n1c(-c2ccccc2)cn2c3c(=O)[nH]c(=O)n(C)c3nc12 5076515 WQDBJNJBQZXGIN-UHFFFAOYSA-N 405.845 3.294 0 40 HGAB O=C(COC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)Nc1ccc(Cl)cc1Cl 5241732 ACNAWHITUPXIDB-NSHDSACASA-N 411.241 3.117 0 40 HGAB C[C@@H]1CCc2nc(NC(=O)[C@@H]3CCCN3S(=O)(=O)c3cccs3)sc2C1 5298737 ABZYNGDSOMSHOR-YPMHNXCESA-N 411.574 3.121 0 40 HGAB Cc1cc(O[C@@H](C)C(=O)NCCCO)c2c(C)c(Cc3ccccc3)c(=O)oc2c1 5350184 IDJLOTSQTTUAKN-KRWDZBQOSA-N 409.482 3.267 0 40 HGAB Cc1[nH]c2ccccc2c1[C@H]1c2ccccc2C(=O)N1CC(=O)NC[C@@H]1CCCO1 6279908 CYEARHVJOBIBGM-QMHKHESXSA-N 403.482 3.317 0 40 HGAB O=C(c1ccc(Oc2ccccc2)cc1)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 6640245 AXFDERWCVZKNKU-NQIIRXRSSA-N 415.511 3.287 0 40 HGAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CSCc1cc(C)ccc1C 7150162 QVPNIIUADBHYAF-UHFFFAOYSA-N 422.572 3.434 0 40 HGAB NC(=O)c1ccc(NC(=O)c2ccc(=O)n(Cc3cccc(C(F)(F)F)c3)c2)cc1 7594239 RLYGXYXNKWKPRH-UHFFFAOYSA-N 415.371 3.267 0 40 HGAB COc1ccc(Br)cc1CN(C)CC(=O)NCCc1ccc(F)cc1 7976568 FVSFVUQLAWPABD-UHFFFAOYSA-N 409.299 3.388 0 40 HGAB COc1ccc(-n2c(SC)nc3sc4c(c3c2=O)CCN(C(C)=O)C4)cc1 8592117 RWRUEIXXQYHAEZ-UHFFFAOYSA-N 401.513 3.082 0 40 HGAB C[C@@H](NC(=O)CN1C(=O)N[C@@]2(CCCc3sccc32)C1=O)c1cc2ccccc2o1 8883082 BJQDVNIVNLCPGX-MCMMXHMISA-N 423.494 3.455 0 40 HGAB O=C(CSc1nc2sc3c(c2c(=O)[nH]1)CCCC3)Nc1nnc(C2CC2)s1 9289828 TWGIYMNPQKRBHK-UHFFFAOYSA-N 419.557 3.323 0 40 HGAB COc1ccc(OC)c([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2ccc(F)c(F)c2)c1 9461208 IBYJRAUBTPOJDM-SFHVURJKSA-N 419.453 3.414 0 40 HGAB COc1ccc(Cn2nnnc2S[C@H](C(=O)N2CCCC2)c2ccccc2)cc1 9582855 UHFGCUMZNVPTSQ-IBGZPJMESA-N 409.515 3.186 0 40 HGAB CCOCCCNC(=O)c1ccc2c(c1)C[C@@H](C)N2S(=O)(=O)c1ccc(C)cc1 10327113 SUWDFUMIGIQQSL-QGZVFWFLSA-N 416.543 3.291 0 40 HGAB CCOC(=O)c1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCC3)c2)c1 10441586 YVHDHAKJBDSGBR-UHFFFAOYSA-N 416.499 3.209 0 40 HGAB CCCc1cc(O)nc(SCC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)n1 11438471 XJYYLRYNHZOXFJ-UHFFFAOYSA-N 414.531 3.104 0 40 HGAB NC(=O)c1cc2ccccc2nc1[C@@H]1CCCN(C(=O)COc2cccc(F)c2)C1 12255857 KEAXSLHHARLVJZ-MRXNPFEDSA-N 407.445 3.258 0 40 HGAB NC(=O)c1cc2ccccc2nc1[C@H]1CCCN(C(=O)CCCc2ccncc2)C1 12255977 IPDRGRFMESBPDW-IBGZPJMESA-N 402.498 3.458 0 40 HGAB CN1CCN(c2oc(-c3ccc(F)cc3)nc2S(=O)(=O)c2ccccc2)CC1 12419201 BJOADSGFQIWCOH-UHFFFAOYSA-N 401.463 3.065 0 40 HGAB CN(C)Cc1ccccc1CNC(=O)c1ccccc1SCC(=O)N1CCCC1 12584648 ICBOGSNWDHEZQE-UHFFFAOYSA-N 411.571 3.393 0 40 HGAB CNS(=O)(=O)c1ccc(CCC(=O)N(C)Cc2ccc(Cl)cc2Cl)cc1 12774824 SVWVOCPLFXPYPP-UHFFFAOYSA-N 415.342 3.493 0 40 HGAB COC(=O)c1ccc(Cl)c(NC(=O)[C@H]2CC(=O)N(c3ccc(OC)cc3)C2)c1 12918929 ONGBXBVEQMKFJT-ZDUSSCGKSA-N 402.834 3.127 0 40 HGAB O=C(CSc1nnc(-c2ccccc2)o1)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O 13414480 PGLNDOHAZKLBDP-KRWDZBQOSA-N 422.466 3.122 0 40 HGAB Cc1cccc(NC(=O)CNC(=O)[C@H](C)NC(=O)Cc2cccc3ccccc23)c1C 14227950 KJOHNYRGWLFZMX-SFHVURJKSA-N 417.509 3.259 0 40 HGAB C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)Nc3ccc(Cl)cc3)c2)C[C@@H](C)O1 14429368 ROKJBFOOKGOGCU-OKILXGFUSA-N 408.907 3.390 0 40 HGAB COc1ccc(Br)cc1S(=O)(=O)N1CCN=C1Cc1ccccc1 16780276 MNXJRCWCMOSZOW-UHFFFAOYSA-N 409.305 3.103 0 40 HGAB Cc1nc(C[C@H](NC(=O)c2ccc3c(c2)nc(C)n3C)c2ccc(F)cc2)cc(=O)[nH]1 19285386 CTNYQCPHFYMIQQ-IBGZPJMESA-N 419.460 3.126 0 40 HGAB CCOc1ccc(CC(=O)N2CCC[C@@H]2c2n[nH]cc2-c2ccnc(N(C)C)n2)cc1 19532881 MFHNNLJJDOFYPE-HXUWFJFHSA-N 420.517 3.238 0 40 HGAB COc1ccc(OC)c([C@H]2CCCN2S(=O)(=O)c2cn(C(F)F)nc2C)c1 19583371 OKBUAPXIBYHCOM-CQSZACIVSA-N 401.435 3.130 0 40 HGAB COc1cccc(CN2C(=O)Cc3c(C)nc([C@H]4CCCN(C(=O)C(C)C)C4)nc32)c1 19744588 GFQBARVUQAFDTI-SFHVURJKSA-N 422.529 3.245 0 40 HGAB Cc1ccc2c(c1)cc(C(=O)N1CCC[C@@H](NC(=O)c3cnc(C)cn3)CC1)n2C 19749104 KXBMLLKZIKWBMD-GOSISDBHSA-N 405.502 3.010 0 40 HGAB COc1c(Cl)cc(C(=O)O)cc1NC(=S)NC(=O)COc1ccccc1C 20153611 VZZKOWHWXOOAIX-UHFFFAOYSA-N 408.863 3.247 0 40 HGAB CCOc1ccc([C@H](C)NS(=O)(=O)c2ccc(OC)c(N3CCCC3=O)c2)cc1 20460823 ZMTUBXRYZKLIBZ-HNNXBMFYSA-N 418.515 3.260 0 40 HGAB COc1cc2c(cc1OC)-c1c(c(C(=O)NC[C@@H]3CCCO3)nn1-c1ccccc1)C2 20744820 KMZBKEBBXRROOM-KRWDZBQOSA-N 419.481 3.370 0 40 HGAB COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)CN1CCN(C2CCCCC2)CC1 20840981 ZXIALPURIZLWPO-UHFFFAOYSA-N 412.534 3.152 0 40 HGAB CC(C)(CNC(=O)c1cc(-c2cccs2)nn1-c1ccccc1)N1CCOCC1 22025338 MXELLLJYMLLNGQ-UHFFFAOYSA-N 410.543 3.441 0 40 HGAB CCOC(=O)C1CCN([C@H](c2cccc(F)c2)c2sc3ncnn3c2O)CC1 22609528 PUPSQWJXBNUFSD-OAHLLOKOSA-N 404.467 3.000 0 40 HGAB Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)C(=O)N2CCN(C)CC2)cc1 22996871 QANHQMIGROLQFR-UHFFFAOYSA-N 421.950 3.207 0 40 HGAB Cc1nnc(CSc2nnc3n(-c4ccccc4C)c(=O)c4ccccc4n23)o1 24832673 VECJYZOONGMUPO-UHFFFAOYSA-N 404.455 3.326 0 40 HGAB Cc1cc(=O)c(C(=O)N2CCN(Cc3ccccc3)CC2)nn1-c1ccc(Cl)cc1 24835958 PQDZRRZSFYJZKB-UHFFFAOYSA-N 422.916 3.152 0 40 HGAB COc1ccc([C@H]2CCCCCN2C[C@@H](O)CN2C(=O)c3ccccc3C2=O)cc1 25231756 DHLQMQQQQLGETD-XMSQKQJNSA-N 408.498 3.269 0 40 HGAB NS(=O)(=O)c1ccc(CCNC(=O)c2cccc3c4c([nH]c23)CCCCC4)cc1 28098460 IKHIDKDBPGZCIW-UHFFFAOYSA-N 411.527 3.057 0 40 HGAB CNC(=O)[C@H]1CN(C(=O)c2ccc(C(=O)c3ccccc3)cc2)c2ccccc2O1 29767375 VWMWHJNUIWQUBG-OAQYLSRUSA-N 400.434 3.071 0 40 HGAB CN1CCN(C(=O)COc2ccc(F)cc2Br)[C@H](c2ccccc2)C1 30029381 PSUNUYPOIOGHQJ-KRWDZBQOSA-N 407.283 3.482 0 40 HGAB COc1ccc(-c2nc(CSc3nnnn3C[C@@H]3CCCO3)cs2)cc1OC 30346848 FYXGBQZWKBAOAN-AWEZNQCLSA-N 419.532 3.285 0 40 HGAB CCc1sc(C(=O)OCC(=O)c2cc(C)n([C@H]3CCS(=O)(=O)C3)c2C)cc1C 32738755 XDPHKELDZLPNFX-HNNXBMFYSA-N 423.556 3.437 0 40 HGAB CC(C)N(C(=O)C[S@@](=O)Cc1cc2c(cc1Br)OCCO2)C(C)C 32765092 DGRYXIVBMZUTMW-XMMPIXPASA-N 418.353 3.114 0 40 HGAB COc1ccc(OC)c([C@H]2CCCN2Cc2ccc(S(=O)(=O)N3CCCC3)o2)c1 32932820 MLWDTIGOUAYDFE-LJQANCHMSA-N 420.531 3.418 0 40 HGAB COc1ccc(CCN2C[C@@H](C(=O)OCc3ccccc3Cl)CC2=O)cc1OC 32999879 AWHCAADRBBHDKN-KRWDZBQOSA-N 417.889 3.492 0 40 HGAB CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Nc1nc(C)c(C)s1 40023487 HARJYOZQMCSYBY-HNNXBMFYSA-N 413.590 3.107 0 40 HGAB CC1CCN(C(=S)SCC(=O)OCC(=O)Nc2cccc3ncccc23)CC1 40033925 SHGSBDIFCGKDKK-UHFFFAOYSA-N 417.556 3.467 0 40 HGAB O=C(CC(c1ccccc1)c1ccccc1)NCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 40056949 LRIFAFJMHAPPFV-UHFFFAOYSA-N 414.465 3.133 0 40 HGAB CCOc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3nccs3)C2)cc1OCC 40148984 MZAULLSDZLYBAW-HNNXBMFYSA-N 403.504 3.431 0 40 HGAB Cc1ccc(C)c(-c2cc3c(=O)n(CC(=O)Nc4cc(F)ccc4F)ncn3n2)c1 51317051 GEHDXHKBDBLYGF-UHFFFAOYSA-N 409.396 3.092 0 40 HGAB COC(=O)c1ccc(NC(=O)Cn2c(Nc3ccc(F)c(C)c3)nc(C)cc2=O)cc1 57507796 YPQRRCCPZYPBPG-UHFFFAOYSA-N 424.432 3.168 0 40 HGAB CCCCOc1ccc(C(=O)NCC(=O)N[C@H](C)CN2C[C@@H](C)C[C@@H](C)C2)cc1 58201874 DCXBKGOVZDHQPG-CEXWTWQISA-N 403.567 3.078 0 40 HGAB Cc1ccccc1OCCNC(=O)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1 59417477 VMVFHIKPGOFJQE-HNNXBMFYSA-N 417.303 3.306 0 40 HGAB Cc1cccc(NC(=O)Cn2ccn3nc(-c4ccc5c(c4)OCO5)cc3c2=O)c1C 64591359 VNWAFDZLHOAIRR-UHFFFAOYSA-N 416.437 3.147 0 40 HGAB COCCn1ccc2c(NC(=O)Cn3nc(-c4ccccc4)ccc3=O)cccc21 71288903 UNEZWBLLNJIYOV-UHFFFAOYSA-N 402.454 3.150 0 40 HGAB CCCCN(C)S(=O)(=O)N1CCC2(CC1)C[C@@H]2c1nnc(-c2cccc(F)c2)o1 71890638 VXIYHBOFIOHWBO-QGZVFWFLSA-N 422.526 3.422 0 40 HGAB O=C(O)[C@@H]1COC2(CCN(Cc3ccccc3)CC2)N1C(=O)c1ccc(Cl)cc1 71980574 IDEXTLXKDKYQPL-IBGZPJMESA-N 414.889 3.258 0 40 HGAB Cc1ccc(CN(C(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C(C)C)s1 72030294 NACCFXZDRGECHL-UHFFFAOYSA-N 422.572 3.128 0 40 HGAB Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1CNC(=O)OC(C)(C)C 72223650 DGLJGNQRSLGLLN-UHFFFAOYSA-N 406.527 3.472 0 40 HGAB CCN(CC)S(=O)(=O)N1CCC[C@@H](c2ccc(Nc3ncccc3C)cn2)C1 72353311 OVNWPIDBYAWUQD-QGZVFWFLSA-N 403.552 3.295 0 40 HGAB CCOc1ccc(CC(=O)N2CCC[C@H](c3cc(C(F)F)n4ncnc4n3)C2)cc1 72395333 FXXOJBCQFQTKSC-HNNXBMFYSA-N 415.444 3.409 0 40 HGAB CCOC(=O)[C@@H]1Oc2c(c(=O)oc3ccccc23)[C@H]1c1cc(OC)c2c(c1)OCCO2 79192910 BZOJOKWSOPEFOE-DYESRHJHSA-N 424.405 3.029 0 40 HGAB biogenic C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1CNc1ncc(Br)cn1 84678301 CMXZBPKRCNNOKK-ZYHUDNBSSA-N 401.305 3.412 0 40 HGAB CS[C@@H]1CN(C(=O)Cc2csc(COc3ccc(C)cc3)n2)C[C@@H]1N(C)C 89637003 JBAUFOGDFHFJDL-ZWKOTPCHSA-N 405.589 3.077 0 40 HGAB C[C@@H](NC(=O)CCC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1)c1ccccc1 95437105 AXNGLARXUNFVNF-CYBMUJFWSA-N 410.442 3.279 0 40 HGAB O=C(CC12CC3CC(CC(C3)C1)C2)NCC(=O)N1C[C@H](O)C[C@@H]1c1ccc(F)cc1 95455872 LCIMDQYPDFANBO-UAYMWHCUSA-N 414.521 3.183 0 40 HGAB COC(=O)c1cc(S(=O)(=O)N(C[C@H](O)c2ccccc2)CC(C)(C)C)oc1C 95986221 PJMCTLNUEPVIKA-KRWDZBQOSA-N 409.504 3.145 0 40 HGAB O=C(c1ccc2ccccc2n1)N1CCC[C@]2(COCCN(c3cccnc3)C2)C1 96076454 WELVUWXSRLRODR-XMMPIXPASA-N 402.498 3.389 0 40 HGAB COC(=O)c1ccc2[nH]c(CO[C@H]3CN(Cc4ccccc4F)C[C@H]3F)nc2c1 96112374 IFWIZRQZYZBIAO-APWZRJJASA-N 401.413 3.228 0 40 HGAB biogenic,in-vitro CCOC(=O)[C@@]1(C)Oc2cc(NC(=O)c3ccc(OC(C)C)cc3)ccc2NC1=O 96182290 XZTVLWSRHBPFFE-QFIPXVFZSA-N 412.442 3.379 0 40 HGAB O=C(Nc1ccc(F)cc1)C1CCC(N2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@@H]3C2=O)CC1 102144622 JQENEYGIGVQUQS-PNELVKNPSA-N 408.473 3.376 0 40 HGAB COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(C)c(Cl)c4)C(=O)[C@@H]3N3CCCN23)cc1 102686115 ZWKGDCTXNBEQDU-VAMGGRTRSA-N 411.889 3.193 0 40 HGAB COc1ccc(CC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NCC(C)C)cc1OC 222728471 XCBYAEHKCPOOLV-GOSISDBHSA-N 412.530 3.436 0 40 HGAB COc1ccc(C(=O)N(C)c2ccc(F)cc2)cc1S(=O)(=O)N1CCCCC1 222917560 IIIIZIHTVFTPHZ-UHFFFAOYSA-N 406.479 3.286 0 40 HGAB COc1ccc(-c2noc(CNS(=O)(=O)Cc3ccccc3Cl)n2)cc1OC 223627673 KNLJDBVXLOBZDC-UHFFFAOYSA-N 423.878 3.027 0 40 HGAB CCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CSCc1ccccc1 224009546 SMDOXEWKEWWHDG-KRWDZBQOSA-N 400.544 3.482 0 40 HGAB COc1ccc(S(=O)(=O)Nc2cccc(C(=O)N[C@@H]3C[C@@H]4CC[C@@H]3C4)c2)cc1 224039174 UBSJMQGBAHJMOV-STXHMFSFSA-N 400.500 3.414 0 40 HGAB CN(C)S(=O)(=O)c1ccc(OCCNC(=O)c2ccc(Cl)cc2Cl)cc1 224195788 OAOLTPKTSBJKOY-UHFFFAOYSA-N 417.314 3.053 0 40 HGAB COc1ccccc1OCC(=O)N(Cc1ccc(F)cc1)[C@@H](C)C(=O)NCC(C)C 224279634 HUFOWRRNYNOQJD-KRWDZBQOSA-N 416.493 3.403 0 40 HGAB CSc1ccc(S(=O)(=O)NCCOc2ccccc2)cc1C(=O)N1CCCC1 224318210 BGBHBWSJVJWBAX-UHFFFAOYSA-N 420.556 3.002 0 40 HGAB Cc1cc(C)cc(N(CCCC(=O)N[C@@H](C)COc2ccccc2)S(C)(=O)=O)c1 225074493 PUIOPXAJIVIWRZ-IBGZPJMESA-N 418.559 3.433 0 40 HGAB COc1ccccc1CN(C)S(=O)(=O)c1ccc2c(c1)sc(=O)n2C(C)C 225713648 RCBWBQUBDWDCMO-UHFFFAOYSA-N 406.529 3.473 0 40 HGAB COc1ccccc1C1(NC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]23)CCCC1 248253121 QSLXFXJIPLJSOQ-XKGZKEIXSA-N 417.575 3.307 0 40 HGAB O=C(O)CN(CCc1ccccc1)C(=O)Cn1c(C(F)(F)F)nc2ccccc21 257265295 LYBNLNPAXDZCEV-UHFFFAOYSA-N 405.376 3.211 0 40 HGAB Cc1ccc(CC(=O)NC[C@H]2CC[C@H](c3nc(C)ncc3C(=O)N(C)C)CC2)cc1 257293045 QNXSPUVGNDLHBI-MXVIHJGJSA-N 408.546 3.428 0 40 HGAB Cc1nc([C@@H]2CCCN(C(=O)C(C)(C)C)C2)nc(C)c1CC(=O)NC1CCCC1 257324856 WQMKBENKLBDVKZ-QGZVFWFLSA-N 400.567 3.447 0 40 HGAB Cc1nonc1CC(=O)N1CCO[C@@H](c2cccc(Cc3cccc(Cl)c3)n2)C1 257328654 XGOPLGCRZNRPIQ-HXUWFJFHSA-N 412.877 3.160 0 40 HGAB CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)NCCC(C)C)CC1 408556256 HHGWDFYKOPFJKB-UHFFFAOYSA-N 416.971 3.302 0 40 HGAB O=C(Nc1ccccc1C(=O)O)c1ccc(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)cc1 408672683 OPBHSGDPMXPVIH-LSOMNZGLSA-N 404.422 3.173 0 40 HGAB COc1cc(O)c(Cl)c2c1C(=O)O[C@@H](C)CCC(=O)CC[C@H](OC)CC(=O)C2 514287837 DEMKQUIZOFIHRZ-FZMZJTMJSA-N 412.866 3.259 0 40 HGAB biogenic,in-vitro C[C@H](CCc1n[nH]c2ccccc12)NCc1cccc(CN2CCC[C@H](C(N)=O)C2)c1 543013623 DUXPEFOKKPLFDG-NQIIRXRSSA-N 419.573 3.371 0 40 HGAB C1CO[C@H]([C@@H]2N(CCOCCN3CC4(CCC4)[C@H]3[C@H]3CCCO3)CC23CCC3)C1 562907379 GQIISTRZWIYEDC-COPRSSIGSA-N 404.595 3.070 0 40 HGAB O=C(CCc1ccccc1Br)NCc1ccnc(N2CCCC2=O)c1 575619635 NXLIYJABRODKKN-UHFFFAOYSA-N 402.292 3.220 0 40 HGAB CC(C)CN1c2cccnc2-n2cccc2[C@@]12CCN(C(=O)Cc1ccccn1)C2 585107531 ZFOFZPRHNMOIFM-DEOSSOPVSA-N 401.514 3.414 0 40 HGAB O[C@]1(COc2ccccc2)CCCN(Cc2cccc(OCCn3cccn3)c2)C1 585271520 AIMJEYQEHINWBN-XMMPIXPASA-N 407.514 3.368 0 40 HGAB COCCOC(=O)c1c(N)n(CCc2ccc(OC)cc2)c2nc3ccccc3nc12 2348210 AKHCTCLOKXNPBM-UHFFFAOYSA-N 420.469 3.221 0 40 HGAB O=C(Nc1cccc(Br)c1)c1ccc(S(=O)(=O)N2CCCC2)cc1 3108181 LUOIOMVAENZLGQ-UHFFFAOYSA-N 409.305 3.486 0 40 HGAB O=C(Cc1ccccc1F)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 3556683 GTKJUDORLMBLNU-UHFFFAOYSA-N 412.486 3.055 0 40 HGAB COc1ccc(-n2nnc3c(=O)n(Cc4ccc(Cl)cc4Cl)cnc32)cc1 4266893 UVKPCFVPKUQSNL-UHFFFAOYSA-N 402.241 3.341 0 40 HGAB COC(=O)C1=C(CSc2nnc(C)s2)NC(=O)N[C@@H]1c1cc(C)ccc1C 4436500 LLWCIKFTYXQHPJ-OAHLLOKOSA-N 404.517 3.037 0 40 HGAB CCCCCCNc1nc(OCC)nc(N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)n1 4600989 AEXCLJJJWZXATB-SJORKVTESA-N 412.538 3.048 0 40 HGAB O=C(c1ccc(Cl)cc1)[C@H]1[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@H]2CCCN21 5321595 UPVXRZXAZJOAQF-NCXUSEDFSA-N 412.848 3.314 0 40 HGAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cccn3-c3ccccc3F)C2=O)o1 6388722 NUEDENPOTFGTLS-WJDWOHSUSA-N 409.373 3.089 0 40 HGAB CS(=O)(=O)N1CCCc2cc(C(=O)Nc3ccccc3Br)ccc21 6767098 JPBDZZDAROZHQE-UHFFFAOYSA-N 409.305 3.414 0 40 HGAB O=C(CN1C(=O)S/C(=C/c2ccc(N3CCOCC3)cc2)C1=O)c1ccccc1 7093464 SFEJLKGXQCYDKT-XSFVSMFZSA-N 408.479 3.442 0 40 HGAB O=C(/C=C/c1ccco1)N(Cc1cccc(Br)c1)[C@H]1CCS(=O)(=O)C1 9223199 SUZNSWYXPAZGRN-MOEXGYKKSA-N 424.316 3.271 0 40 HGAB COCCCNC(=O)CSc1nnc(Cc2ccccc2)n1-c1cccc(C)c1 9569754 GGRCEGBGBISQNX-UHFFFAOYSA-N 410.543 3.411 0 40 HGAB C[C@@H](CNC(=O)c1nnn(-c2ccc(Br)cc2)c1N)c1ccccc1 9575536 KJKOIOOIMDVQKD-LBPRGKRZSA-N 400.280 3.146 0 40 HGAB COc1ccccc1NC(=O)Cc1csc(NS(=O)(=O)c2ccccc2)n1 9828711 OPFKKVVOBOLBKZ-UHFFFAOYSA-N 403.485 3.134 0 40 HGAB CCN1C(=O)[C@H](c2ccc(F)cc2)C2(CCN(C(=O)Cc3cccs3)CC2)C1=O 12115854 NYTOVEFKNVGMSD-IBGZPJMESA-N 414.502 3.211 0 40 HGAB COc1cccc(C(=O)Nc2cc(C3CC3)nn2-c2nc(C(C)C)cc(=O)[nH]2)c1OC 12126051 MLGGGYHAQPJDCI-UHFFFAOYSA-N 423.473 3.226 0 40 HGAB Cn1ccnc1[C@@H](O)c1cccc(F)c1N1CCN(CCCc2ccccc2)CC1 12143387 PNYCRMJRMLGCGU-QHCPKHFHSA-N 408.521 3.396 0 40 HGAB CC(=O)N[C@H](CC(=O)N1CCC[C@H](c2nn(C)c3ncccc23)C1)c1ccc(F)cc1 12219465 AHLPLRHIJSESJZ-FXAWDEMLSA-N 423.492 3.081 0 40 HGAB COc1ccc(CCC(=O)Nc2cccc(S(=O)(=O)NCc3ccco3)c2)cc1 12598832 UMJYHRCLTWDSIC-UHFFFAOYSA-N 414.483 3.338 0 40 HGAB CCN1CCN(c2ccccc2NC(=O)Cc2ccc(N3CCCC3=O)cc2)CC1 12645565 XQVUUKIBAVBODR-UHFFFAOYSA-N 406.530 3.137 0 40 HGAB COc1cccc(CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)c1 12784661 CJXAVILNOTXMSP-UHFFFAOYSA-N 408.907 3.314 0 40 HGAB COc1ccc(NC(=O)[C@@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)c(OC)c1 12786947 SYBYGVLADMSCQM-LJQANCHMSA-N 420.531 3.344 0 40 HGAB COc1ccc(NC(C)=O)cc1NC(=O)C1CCN(C(=O)c2cccs2)CC1 13012800 SMSFEQLRDAEYOJ-UHFFFAOYSA-N 401.488 3.206 0 40 HGAB CCOC(=O)C1=C(N)Oc2c(c(=O)oc3ccccc23)[C@H]1c1cccc(OCC)c1 14162588 XWDFQLCGXZWXIQ-QGZVFWFLSA-N 407.422 3.449 0 40 HGAB O=C(/C=C/c1cn(Cc2ccccc2)nn1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 14231339 BPHOCSZUEFSHCW-ZUURVNMSSA-N 416.481 3.475 0 40 HGAB Cc1cccc(OC[C@H](O)CN2C(=O)N[C@](C)(c3ccc4ccccc4c3)C2=O)c1 15236741 BJLHCSKEVUZFRP-HYBUGGRVSA-N 404.466 3.355 0 40 HGAB COc1cccc(NC(=O)C[C@H]2SC(CC(=O)Nc3ccccc3C)=NC2=O)c1 15525455 VIMJJFPCCGAUSI-QGZVFWFLSA-N 411.483 3.402 0 40 HGAB COc1ccc(Cl)cc1NS(=O)(=O)c1cccc(C(=O)NC[C@H]2CCCO2)c1 15933635 CEXBJCNSMRGXMZ-OAHLLOKOSA-N 424.906 3.058 0 40 HGAB O=C(c1cccs1)N1CCN(Cc2nc(-c3ccccc3OC(F)F)no2)CC1 16695256 FWPDEFJLEVDVOX-UHFFFAOYSA-N 420.441 3.358 0 40 HGAB O=C1C[C@H](C(=O)Nc2cccc(C(=O)Nc3ccc(C(=O)O)cc3)c2)C2(CCCC2)O1 16957144 UVUKOXNSMXIDEO-GOSISDBHSA-N 422.437 3.452 0 40 HGAB CCCS(=O)(=O)N1CCCc2ccc(NC(=O)c3c(OC)cccc3OC)cc21 17286531 VSUIQRRIYDIQEQ-UHFFFAOYSA-N 418.515 3.449 0 40 HGAB CCc1noc(C)c1C(=O)N1CCC[C@@H]1c1nc(N(C)C)ncc1-c1ccncc1 19521226 GYPWGYKXEAKMRU-GOSISDBHSA-N 406.490 3.441 0 40 HGAB COCc1ccc(C(=O)N2C[C@@H](c3ccc(F)c(F)c3)[C@@]3(CCCC(=O)N3)C2)cc1 19594430 GDKKURDJGCMTHF-FDDCHVKYSA-N 414.452 3.390 0 40 HGAB CC(C)CC(=O)N1CCO[C@@H](c2c(C(=O)NCCN(C)C)sc3ccccc23)C1 19697915 FIEIGYOKHLAIRM-QGZVFWFLSA-N 417.575 3.139 0 40 HGAB Cc1nc2ccccc2c(=O)n1CC(=O)Nc1ccccc1OCc1ccccn1 19715252 CXHZRYMXIRQAEU-UHFFFAOYSA-N 400.438 3.318 0 40 HGAB Cn1cccc1[C@H](CNC(=O)COc1ccccc1F)N1CCc2ccccc2C1 21151923 JCNBEBCBIDWHLM-QFIPXVFZSA-N 407.489 3.459 0 40 HGAB CCOc1ccc(NC(=O)CN(C)CC(=O)N[C@H]2CCC[C@@H](C)[C@@H]2C)cc1OCC 21580096 ZYMHZYHPCASTHA-AOIWGVFYSA-N 419.566 3.295 0 40 HGAB CCOC(=O)c1c(NS(=O)(=O)c2ccc(NC(C)=O)cc2)sc2c1CCC2 21728979 RBSBXFCHERQBOJ-UHFFFAOYSA-N 408.501 3.173 0 40 HGAB CN(C)S(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)Nc2ccc(F)cc2F)c1 22395999 CDQFCZVEPXGNFI-UHFFFAOYSA-N 423.485 3.458 0 40 HGAB CCOc1ccc([C@H](C)NC(=O)CN(c2c(C)cccc2C)S(C)(=O)=O)cc1 22512129 AQPWJDCHHUKCOL-KRWDZBQOSA-N 404.532 3.346 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCN(Cc3coc(-c4cccs4)n3)CC2)cc1 24167446 HELKWTQRLYGPMR-UHFFFAOYSA-N 403.529 3.218 0 40 HGAB COc1ccc(CN(C)S(=O)(=O)c2cccc(OC(F)(F)F)c2)cc1OC 24365635 JJHWBXDRYQMDPD-UHFFFAOYSA-N 405.394 3.423 0 40 HGAB COc1cn(-c2ccccc2)nc1C(=O)OCc1ccc(C(=O)N2CCCC2)cc1 25683873 LRKFXSIHPAHTNF-UHFFFAOYSA-N 405.454 3.474 0 40 HGAB O=C1c2ccccc2C(=O)N1C[C@@H]1CN(Cc2ccc(Cl)c(Cl)c2)CCO1 26522443 GYQBANNDJUCMNR-AWEZNQCLSA-N 405.281 3.490 0 40 HGAB COc1ccc(-n2cccc2/C=C2\NC(=O)N(CC(=O)Nc3ccccc3)C2=O)cc1 27570965 WESMZGFLMAASFQ-ZHZULCJRSA-N 416.437 3.017 0 40 HGAB O=C(Cc1csc(-c2ccccn2)n1)N1CCC(c2nnc3ccccn23)CC1 28736286 JPMAPICGVWHWJX-UHFFFAOYSA-N 404.499 3.197 0 40 HGAB COc1ccc(C(=O)N(Cc2ccc(C(N)=O)cc2)C2CC2)cc1Br 31175598 LUHUOJIQQCLCEX-UHFFFAOYSA-N 403.276 3.361 0 40 HGAB CC(C)c1ccc(N2C(=O)CN([C@@H](C)c3ccccc3)[C@H]3CS(=O)(=O)C[C@H]32)cc1 31773823 FGJVBPPXXDIVIB-BULFRSBZSA-N 412.555 3.385 0 40 HGAB Cc1cc(N2CCN(C)CC2)ccc1NC(=O)Cc1ccc(N2CCCC2=O)cc1 32748008 XUXIHIAXEBSNJK-UHFFFAOYSA-N 406.530 3.055 0 40 HGAB CN(Cc1ccc(C(=O)NCC(F)(F)F)cc1)S(=O)(=O)c1cccc(Cl)c1 32771370 BZORVYODGQBZIP-UHFFFAOYSA-N 420.840 3.453 0 40 HGAB O=C(NC[C@@H](O)COc1cccc(F)c1)c1cc(-c2ccco2)nn1-c1ccccc1 32933085 ZRZDFZACOHCSCP-GOSISDBHSA-N 421.428 3.441 0 40 HGAB CC(C)C(=O)N(CC(=O)Nc1sc2c(c1C(N)=O)CCCC2)Cc1ccccc1 35292193 ICHUZAWCRLBHGS-UHFFFAOYSA-N 413.543 3.349 0 40 HGAB O=C(COc1ccccc1)N1CCC[C@H](c2nnc(-c3ccc4c(c3)OCO4)o2)C1 35596911 YRIRXBJJCZSLPV-INIZCTEOSA-N 407.426 3.250 0 40 HGAB CCSc1nnc(-c2cccc(S(=O)(=O)N(CC)CC)c2)n1[C@@H](C)COC 36802957 KWRGERBLDXSYMI-AWEZNQCLSA-N 412.581 3.295 0 40 HGAB CN(Cc1nnc2n1CCCCC2)C(=O)C1CCN(c2nc3ccccc3o2)CC1 40039610 MBOQTCBQPVCQMT-UHFFFAOYSA-N 408.506 3.021 0 40 HGAB CCOC(=O)c1csc(NC(=O)[C@H]2CCCN(C(=O)c3ccc(C)cc3)C2)n1 46429359 OKCMHSUAEFRPGI-HNNXBMFYSA-N 401.488 3.119 0 40 HGAB O=C([C@@H]1Cc2ccccc2CN1Cc1nc(-c2ccc(F)cc2)no1)N1CCCC1 48302985 SFGIDRCGHARVPN-FQEVSTJZSA-N 406.461 3.425 0 40 HGAB COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)CN1CCN(c2ccc(F)cc2)CC1 57050836 PLTWENXAZYDCEC-UHFFFAOYSA-N 424.476 3.163 0 40 HGAB C[C@H](OC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1)C(=O)c1ccc(F)cc1 58030095 UWTVGJMBGLALCK-KXBFYZLASA-N 419.474 3.184 0 40 HGAB CCCN(CCN(C)C)C(=O)Nc1sc(C(=O)OCC)c(C)c1C(=O)OCC 58049431 VYAPZBOOLASTRC-UHFFFAOYSA-N 413.540 3.215 0 40 HGAB NC(=O)c1noc(CN2CCc3onc(-c4ccc(-c5ccccc5)cc4)c3C2)n1 67956446 ILQWUTYNJUQWGW-UHFFFAOYSA-N 401.426 3.049 0 40 HGAB O=C(NS(=O)(=O)c1cc(Cl)ccc1Cl)c1cc(Cl)c2c(c1)OCO2 69515948 LJOCDXIMWVCBEE-UHFFFAOYSA-N 408.646 3.494 0 40 HGAB COC(=O)c1sccc1N1C(=O)C/C(=C\c2cccc(Br)n2)C1=O 71280711 AQNOIOARFASMBY-VQHVLOKHSA-N 407.245 3.039 0 40 HGAB Cc1cnc(NC(=O)[C@]23CCC(=O)N2c2ccccc2C(=O)N3CCC(C)C)s1 71745206 BVWWSXZHPKAGCA-NRFANRHFSA-N 412.515 3.415 0 40 HGAB Cc1cccc(CN2CCC(NC(=O)c3ccnc(N4CCO[C@@H](C)C4)c3)CC2)c1 72305406 BAQYFNPUWXTZMJ-IBGZPJMESA-N 408.546 3.010 0 40 HGAB COC(=O)c1ccc(S(=O)(=O)NCCc2c[nH]c3ccc(OC)cc23)c(Cl)c1 72307369 LTWKYPYGLRATTQ-UHFFFAOYSA-N 422.890 3.138 0 40 HGAB CC(=O)Nc1cccc(-c2nccnc2[C@@H]2CCCN(C(=O)C3CCN(C)CC3)C2)c1 72359211 FWVRJNWWLNYOLN-HXUWFJFHSA-N 421.545 3.150 0 40 HGAB Cc1cc(C)n(C)c(=O)c1C(=O)N1CCC[C@H]1Cc1c(C(N)=O)sc2ccccc12 72370280 PVQDBIWCXXJLOQ-HNNXBMFYSA-N 423.538 3.163 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NCc2cnc3nc(C)cc(C)n23)cc1 78998835 XYAWXZZJCTZQQI-QGZVFWFLSA-N 415.563 3.227 0 40 HGAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)COc2ccc3ccoc3c2)c1 79060596 FIEDPSWXFIQZJP-UHFFFAOYSA-N 402.472 3.481 0 40 HGAB O=C(C[C@H]1NC(=O)c2ccccc2N=C1O)NCCc1nc(-c2ccccc2)cs1 79482211 WJPZXKWWYUCCSP-QGZVFWFLSA-N 420.494 3.259 0 40 HGAB COCCOc1cc(C)ccc1NC(=O)c1ccc(-n2ncc(C(=O)O)c2C)cc1 95424304 XOJUAQXTIUMLMY-UHFFFAOYSA-N 409.442 3.465 0 40 HGAB CCCC(=O)Nc1cccc(CNC(=O)c2cccnc2I)c1 95456826 NCBDIKIHIQWMAR-UHFFFAOYSA-N 423.254 3.355 0 40 HGAB CC(C)=C1[C@@H]2CC[C@@H]1[C@@H]1C(=O)N(NC(=O)COc3ccc(C(C)(C)C)cc3)C(=O)[C@H]12 102634002 MLRLTPLFYJYRNB-USNOLKROSA-N 410.514 3.372 0 40 HGAB C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)N[C@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)c2)C[C@@H](C)O1 108914319 ZUYSEEWWDITFOL-BCZAFHOVSA-N 420.575 3.039 0 40 HGAB C[C@@H](C(=O)NCCCc1ccc(Cl)cc1)N(c1cccc(F)c1)S(C)(=O)=O 220482176 FOOFPWCNHPQXCU-AWEZNQCLSA-N 412.914 3.383 0 40 HGAB COC(=O)CSc1nnc(NC(=O)[C@H](C)Oc2cccc3c2CCCC3)s1 223466367 ODXKWZZDJCVFST-NSHDSACASA-N 407.517 3.088 0 40 HGAB COCc1cccc(NC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)c1 223662834 NLNOZQZLFGVSGW-UHFFFAOYSA-N 416.421 3.257 0 40 HGAB COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1cccnc1 223712092 FWCIBEVDOBUQJV-NHCUHLMSSA-N 421.526 3.193 0 40 HGAB COC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2ccc(-n3ccnc3C)cc2)c1 223865828 HKTPKGROXKPNON-UHFFFAOYSA-N 419.890 3.099 0 40 HGAB O=C(NCCOCc1ccccc1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 223929019 ZAKHIRPIWUGKMS-UHFFFAOYSA-N 410.495 3.434 0 40 HGAB CC[C@H](C(=O)NCCOc1cc(C)ccc1C)N(c1ccc(C)cc1)S(C)(=O)=O 224018244 JXFINMCNQRTKAF-HXUWFJFHSA-N 418.559 3.352 0 40 HGAB Cc1ccc(C)c(OCCNC(=O)c2cc(N(C)S(C)(=O)=O)ccc2Cl)c1 224039927 FEMDRLBLDCVVKG-UHFFFAOYSA-N 410.923 3.161 0 40 HGAB COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)N[C@@H](C)c1ccc(C)c(C)c1 224530425 YIRUMOQZVATUGO-KRWDZBQOSA-N 418.559 3.372 0 40 HGAB Cc1cc(C)cc(N(CCCC(=O)NCCOc2ccccc2C)S(C)(=O)=O)c1 224656035 LCYITMOGAPADLM-UHFFFAOYSA-N 418.559 3.353 0 40 HGAB COc1cc(N(C)S(=O)(=O)c2ccc(OC)c(OC)c2)c(OC)cc1Cl 224817044 UWWYYGNOUWZFPW-UHFFFAOYSA-N 401.868 3.200 0 40 HGAB COc1cc(C)c(C)cc1S(=O)(=O)NC[C@@](O)(c1ccsc1)c1ccco1 245187630 ZRJXDHSFGAEONO-LJQANCHMSA-N 407.513 3.181 0 40 HGAB COc1ccc(CN2C[C@@H]3CN(C(=O)c4ccccc4F)CCN3C(C)(C)C2)cc1 253405711 TUIBPGVYMPVNDA-LJQANCHMSA-N 411.521 3.255 0 40 HGAB biogenic,in-vitro O=C(C[C@H]1CN(C(=O)C2CCOCC2)CC[C@@H]1Oc1ccccc1)N1CCCCC1 257204436 AUPNNJJTNQGVOZ-UNMCSNQZSA-N 414.546 3.112 0 40 HGAB COc1cccc(-c2ccc3nc([C@H]4CCCN(C(=O)N(C)C)C4)nn3c2)c1OC 306136260 POFGJZWEZVTODS-INIZCTEOSA-N 409.490 3.275 0 40 HGAB Cc1ccc(CNC(=O)[C@@H]2CN(C)CC3(CCN(Cc4ccsc4)CC3)O2)cc1 306140267 UOOSANJXGHRVCO-NRFANRHFSA-N 413.587 3.038 0 40 HGAB CS(=O)(=O)N(CC(=O)Nc1ccc(Br)cc1F)c1ccc(F)cc1 409256877 NWYABIHWNKIDFZ-UHFFFAOYSA-N 419.247 3.132 0 40 HGAB Cc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(=O)NCCC1=CCCCC1 409391935 PHZMCGUKARDADN-UHFFFAOYSA-N 406.548 3.165 0 40 HGAB FC(F)C[C@H]1COCCN1Cc1ccc(CN2CCOC[C@H]2CC(F)F)cc1 513391360 BCFKPONABMLEHU-HDICACEKSA-N 404.448 3.399 0 40 HGAB O=C(Cc1ccc2c(c1)CCCO2)N1CC2(C[C@H](OCc3ccccn3)CS2)C1 575403462 LHIBNGVTNOMRJW-FQEVSTJZSA-N 410.539 3.252 0 40 HGAB O=C1C[C@H](C(=O)N2CCCC3=C[C@H]4C[C@@H](CN5CCCC[C@H]45)[C@H]32)CN1Cc1ccco1 583647633 WJXXWLHUWHORMV-XWNBTUGQSA-N 423.557 3.050 0 40 HGAB biogenic O=C(c1ccc(O)nc1)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 643573694 IXIVSNQZBAWCIP-UHFFFAOYSA-N 424.497 3.358 0 40 HGAB Cc1cnc(OC[C@H]2CCCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)C2)nc1 1775970462 NLXSFBXBZLFANV-AWEZNQCLSA-N 415.437 3.284 0 40 HGAB Cc1nc(CN2CC3(CCN(C(=O)c4c(C)nc5ccccn45)CC3)CC2=O)cs1 2055795864 KUUCQCRTONUWHT-UHFFFAOYSA-N 423.542 3.063 0 40 HGAB COc1ccc(OC)c(S(=O)(=O)N2C[C@H]3CCN(CC4CCCC4)CC[C@H]3C2)c1 2056224833 YFTBQZLPRGOHLZ-KDURUIRLSA-N 422.591 3.227 0 40 HGAB O=C(CSc1nnc(NCc2ccccc2)s1)NC(=O)NCc1ccccc1 2642668 MVJFLQLHIVVVBW-UHFFFAOYSA-N 413.528 3.268 0 40 HGAB CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)cc1 3330504 GYMJIVNCRVESFM-UHFFFAOYSA-N 404.822 3.444 0 40 HGAB Cn1c(SCc2cc(=O)n3cc(Br)ccc3n2)nnc1-c1ccco1 3527952 ZTSZMWGPLHEUJE-UHFFFAOYSA-N 418.276 3.138 0 40 HGAB COc1ccc(CCN2C(=O)N(C(C)C)[C@@H](N(O)C(=O)NC(C)C)C2(C)C)cc1 3985301 CXYKMWFEXVHREA-SFHVURJKSA-N 406.527 3.298 0 40 HGAB biogenic COc1cc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc(OC)c1 4217982 LUCDDMHYAXILRM-UHFFFAOYSA-N 418.515 3.052 0 40 HGAB CC(C)[C@H](NC(=O)c1ccccc1)c1nnc(SCC(=O)NC2CCCC2)n1C 4735976 FJLBENRVRYCBFJ-SFHVURJKSA-N 415.563 3.093 0 40 HGAB Cc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)cc1 4742360 XONYKGIVWCKATK-MRXNPFEDSA-N 408.545 3.216 0 40 HGAB CC(C)(C)NC(=O)[C@H](c1ccncc1)N(Cc1cccs1)C(=O)c1csnn1 4857887 SJVJPCWXLNGPOG-INIZCTEOSA-N 415.544 3.293 0 40 HGAB CC(C)(C)NC(=O)CN(C(=O)CNC(=O)c1cccs1)c1ccc(Cl)cc1 4861386 GWLBKJQBFIDAOP-UHFFFAOYSA-N 407.923 3.079 0 40 HGAB Cc1cccc(OCC(=O)N(Cc2cccc(Cl)c2)[C@@H]2CCS(=O)(=O)C2)c1 5046871 VWVCJTWCTRKSJQ-GOSISDBHSA-N 407.919 3.243 0 40 HGAB COc1ccc(C(=O)[C@H](C)N(C(=O)c2ccccc2Cl)N2C(=O)CCC2=O)cc1 7881759 CPZCHLLVPUTBBU-ZDUSSCGKSA-N 414.845 3.126 0 40 HGAB O=C(Nc1cccnc1)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 8162015 LMWIWHMMHYLVLL-UHFFFAOYSA-N 413.421 3.140 0 40 HGAB O=C(Cn1cnc2ccc(Br)cc2c1=O)NC12CC3CC(CC(C3)C1)C2 8221926 XOEAETHYUAZMHV-UHFFFAOYSA-N 416.319 3.244 0 40 HGAB COc1ccc(C(=O)N[C@@H](c2ccc(Cl)cc2)C2CC2)cc1S(=O)(=O)N(C)C 8313763 ZDIQHKVBTGZZIZ-LJQANCHMSA-N 422.934 3.480 0 40 HGAB CCCNc1nc(SC)nc2c1cnn2CCNC(=O)c1c(F)cccc1F 8940483 KEDVVOJWAASCHF-UHFFFAOYSA-N 406.462 3.078 0 40 HGAB O=C(O)Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3Cl)[nH]2)cc1 9198359 PUBCFABLENUONB-UHFFFAOYSA-N 402.863 3.483 0 40 HGAB COc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2OC)C3=O)cc1O 9287767 FYKDWBJBTBPGOZ-UHFFFAOYSA-N 418.405 3.462 0 40 HGAB CCOc1ccc(S(=O)(=O)N(CC(=O)NCc2ccco2)C2CCCCC2)cc1 9356097 ZOILJICYVOENSG-UHFFFAOYSA-N 420.531 3.318 0 40 HGAB O=C(CN1CCC[C@H](c2nc3ccccc3s2)C1)Nc1ccc2[nH]c(=O)[nH]c2c1 9645011 AGVNETRFBYXVQT-ZDUSSCGKSA-N 407.499 3.284 0 40 HGAB Cc1ccc(N(CC(=O)NCCSCc2ccccc2F)S(C)(=O)=O)c(C)c1 10280904 KWMRRSVYIRMSIR-UHFFFAOYSA-N 424.563 3.258 0 40 HGAB Cc1cc(C)cc(NC(=O)COC(=O)c2ccc(Cl)c(S(=O)(=O)N(C)C)c2)c1 11110058 YWTCDLSXSKYRQB-UHFFFAOYSA-N 424.906 3.003 0 40 HGAB CCc1cc(=O)[nH]c(NC2CCN(C(=O)C(C)(C)c3ccc(Cl)cc3)CC2)n1 12113707 OXKBTOZQSVKSLO-UHFFFAOYSA-N 402.926 3.366 0 40 HGAB Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)Nc1cccc(S(C)(=O)=O)c1 12770523 BUNKPIRATOXYQH-UHFFFAOYSA-N 422.510 3.474 0 40 HGAB O=C(NCc1ccccc1CN1CCOCC1)c1ccc(OC[C@H]2CCCO2)cc1 12908815 FRJMTKZEHRONOM-HSZRJFAPSA-N 410.514 3.007 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc([C@H](C)NCC(=O)Nc2ccccc2F)cc1 13038338 DQKYUWFGVJDNPJ-HNNXBMFYSA-N 407.511 3.146 0 40 HGAB Cn1c(SCC(=O)N[C@@H](c2ccccc2)c2ccco2)nnc1-c1ccncc1 14068904 OIPJYVUBOOBKRT-IBGZPJMESA-N 405.483 3.468 0 40 HGAB CN(CCS(=O)(=O)c1cc(Cl)ccc1Cl)CC(=O)Nc1cccc(F)c1 16630918 IPXGSRDFXDUJDJ-UHFFFAOYSA-N 419.305 3.477 0 40 HGAB CCC(=O)N1CCN(c2ccccc2NC(=S)NC(=O)c2cccc(F)c2)CC1 17089920 XUHKDOCOGMJZNV-UHFFFAOYSA-N 414.506 3.011 0 40 HGAB Cc1ccc(CSCCNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cc1 17603894 USYAOJMYIIOVGN-UHFFFAOYSA-N 418.584 3.443 0 40 HGAB COc1ccc(Br)cc1COC(=O)c1ccccc1NS(C)(=O)=O 18263493 PQEGPFJTYOAAKK-UHFFFAOYSA-N 414.277 3.186 0 40 HGAB Cc1nc(S[C@H](C)C(=O)N2CC(=O)Nc3ccccc32)n(C[C@@H]2CCCO2)c1C 18596253 UFHDMEZMTLRLGZ-CVEARBPZSA-N 414.531 3.145 0 40 HGAB Cc1nc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccnc2)cc(N(C)C)n1 19240905 QQJXRNNHUWGINY-HXUWFJFHSA-N 400.486 3.441 0 40 HGAB Cc1nc([C@H](Cc2c[nH]c3ccccc23)NC(=O)Cc2ccc(F)cc2)cc(=O)[nH]1 19240987 JYFSLOZFHHPGLN-FQEVSTJZSA-N 404.445 3.341 0 40 HGAB O=C([C@@H]1CCOC1)N1CCc2nc(-c3ccncc3)nc(Nc3cccc(F)c3)c2C1 19294000 LUTXOZNBQDAGAY-MRXNPFEDSA-N 419.460 3.343 0 40 HGAB CCc1nnsc1C(=O)N1CCC(c2nc(C)cc(-c3nccs3)n2)CC1 19521848 MJKXLYDRYNFYLW-UHFFFAOYSA-N 400.533 3.342 0 40 HGAB COc1ccc(-c2n[nH]cc2CN[C@@H]2CCC(=O)N[C@H]2c2cc(F)cc(F)c2)cc1 19557861 JFLVYRGXIQRQKJ-KNQAVFIVSA-N 412.440 3.473 0 40 HGAB COc1ccc(N2C[C@@H](NC(=O)c3ccc(-n4nc(C)cc4C)cc3)CC2=O)cc1 19660021 AOGNBTSJLWIKLM-SFHVURJKSA-N 404.470 3.033 0 40 HGAB COc1ccc([C@H]2CCCN2C(=O)c2cnc3nc(C(F)(F)F)nn3c2C)cc1 19714582 JRGBNOYDPJHFLO-OAHLLOKOSA-N 405.380 3.437 0 40 HGAB CCOc1ccc([C@@H](C)NS(=O)(=O)Cc2ccc(C(=O)OC)cc2)cc1OCC 20039346 SQVHSSGIKVDLNP-OAHLLOKOSA-N 421.515 3.451 0 40 HGAB COc1cc(/C=C/C(=O)O)c(Br)cc1OCC(=O)NCc1ccccc1 22077336 KZWCBEZIMAETOI-BQYQJAHWSA-N 420.259 3.251 0 40 HGAB CC[C@H](NC(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O)c1ccc(C)cc1C 22368438 UWXZYRZJXOCNLP-SFHVURJKSA-N 418.515 3.066 0 40 HGAB CC(C)(C)OC(=O)N1CCN(C(=O)COc2ccc(Br)cc2F)CC1 22471569 BGHMKOFVUMFYIK-UHFFFAOYSA-N 417.275 3.046 0 40 HGAB CCc1ccccc1NC(=O)CN1CCN(Cn2nc(C(C)(C)C)[nH]c2=S)CC1 23255210 RFURVCVKEMUBFH-UHFFFAOYSA-N 416.595 3.014 0 40 HGAB Cc1cc(C)c(NC(=O)[C@H](C)OC(=O)c2cccc(NS(C)(=O)=O)c2)c(C)c1 23534733 PBPQJBXNSWSSID-HNNXBMFYSA-N 404.488 3.167 0 40 HGAB CCn1c(=O)c2ccccc2n2c(CN3CCN(c4cccc(Cl)c4)CC3)nnc12 23699647 BYCMZOZBOFQZFP-UHFFFAOYSA-N 422.920 3.040 0 40 HGAB CC1=C(C(=O)N2CCOCC2)[C@H](c2c(F)cccc2Cl)NC(=S)N1C1CC1 24274663 VETUSWHTGDXBHT-QGZVFWFLSA-N 409.914 3.006 0 40 HGAB COc1ccc(-c2cc(COC(=O)CCN3C(=O)COc4ccccc43)on2)cc1 25048503 DWYQCZCYXWTYLH-UHFFFAOYSA-N 408.410 3.209 0 40 HGAB CCCN(CCn1nc2ccccn2c1=O)CC(=O)Nc1ccc(Cl)cc1Cl 26901624 JUCNECZTYHZROM-UHFFFAOYSA-N 422.316 3.154 0 40 HGAB NS(=O)(=O)c1ccc2c(c1)CCN2CC(=O)Nc1ccccc1-c1ccccc1 27549937 AQNDQNOQSPJLNA-UHFFFAOYSA-N 407.495 3.002 0 40 HGAB Cc1ccc2c(=O)cc(C(=O)NC[C@H](c3ccccc3)N3CCOCC3)oc2c1C 28292275 OXJCJSAHGVLTAP-HXUWFJFHSA-N 406.482 3.213 0 40 HGAB CCOC(=O)N1CCN(C(=O)c2ccccc2OCc2cn3cccc(C)c3n2)CC1 29871811 BRPDFVYYJXLRMQ-UHFFFAOYSA-N 422.485 3.136 0 40 HGAB CCCn1nc(C(=O)Nc2ccc(NC(=O)[C@H]3CCCO3)cc2)c2ccccc2c1=O 30176102 UWQWNYUUVPZHHQ-LJQANCHMSA-N 420.469 3.176 0 40 HGAB O=C(Cn1ncc2ccccc2c1=O)N(Cc1ccc2c(c1)OCO2)C1CCCC1 32764484 WNLOBQFZWACNLY-UHFFFAOYSA-N 405.454 3.097 0 40 HGAB CCOC(=O)N1CCN([C@@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)CC1 32799843 HORMZRVJVVQWNR-STQMWFEESA-N 402.322 3.333 0 40 HGAB O=C(NCc1ccc(Cn2ccnc2)cc1)[C@@H]1CCCCN1C(=O)c1cccs1 32908428 FRMHGJUHXHNFCR-IBGZPJMESA-N 408.527 3.304 0 40 HGAB Cc1cc(C(=O)N(C)Cc2c(C)nn(C)c2C)c2cnn(-c3ccccc3F)c2n1 36616932 FXTGZDOKUVQHFL-UHFFFAOYSA-N 406.465 3.491 0 40 HGAB COc1ccc(OC)c(NC(=O)NCCNc2nc(C)cc(N3CCCCC3)n2)c1 36708135 OGYOJSBALONPBM-UHFFFAOYSA-N 414.510 3.026 0 40 HGAB O=C(NCc1ccco1)c1ccccc1NC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 39522723 WWALFSYUGVQEPT-SFHVURJKSA-N 417.465 3.197 0 40 HGAB CSc1ccccc1NC(=O)CN(C)CC(=O)N1CCCc2cccc(F)c21 40051308 UTISEWBQJGQWBI-UHFFFAOYSA-N 401.507 3.397 0 40 HGAB O=C(NC[C@@H](c1ccco1)N1CCCC1)[C@@H]1CCCN(C(=O)c2cccs2)C1 40058975 SUYKHUJUJDSJHG-SJORKVTESA-N 401.532 3.147 0 40 HGAB CCCCn1c(=O)c2sccc2n2c(CCC(=O)NCc3cccs3)nnc12 45895918 KEDPOLTTYNEBNX-UHFFFAOYSA-N 415.544 3.216 0 40 HGAB Cc1nc(SCC(=O)N2CC[C@H](C)Sc3ccccc32)sc1CC(N)=O 48260509 ZFWZJJXUPJZTOP-NSHDSACASA-N 407.586 3.489 0 40 HGAB Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)NCc3nnc4n3CCC4)cc12 54536179 STMHPUIWVJZAIK-UHFFFAOYSA-N 410.478 3.061 0 40 HGAB CCc1cc(=O)n(CC(=O)Nc2ccc(OC)c(OC)c2)c(-c2cccc(F)c2)n1 57508227 JGKODAWUHNQOFJ-UHFFFAOYSA-N 411.433 3.268 0 40 HGAB CC(C)C[C@@H](c1nnnn1C[C@@H]1CCCO1)N1CCN(c2cccc(Cl)c2)CC1 57670492 SFCFQBZJMFLIJW-PMACEKPBSA-N 418.973 3.415 0 40 HGAB O=C(c1ccc2c(c1)SC1=NS(=O)(=O)CCN12)N1CCC[C@H]2CCCC[C@H]21 58405238 WZXODRMQZLJPJA-UKRRQHHQSA-N 405.545 3.093 0 40 HGAB CN(C)c1c(Cl)cccc1NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 58411476 GFJSUZQIJBPWCJ-GFCCVEGCSA-N 401.850 3.126 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCCOC3CCCCC3)C2)cc1 64749299 KSVCYHJAHUJCPA-LJQANCHMSA-N 422.591 3.251 0 40 HGAB O=C(N[C@@H]1CCSc2c(F)cccc21)c1cccnc1S(=O)(=O)C(F)(F)F 64898069 XAVDCCOGEYTXSR-GFCCVEGCSA-N 420.409 3.481 0 40 HGAB CC(C)[C@H](CNC(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1)N(C)C 65538580 VGTBERZBTPZUQR-YJBOKZPZSA-N 411.388 3.161 0 40 HGAB Cc1nc(COc2cccc(C(=O)N3CCN(C4=NC[C@H](C)S4)CC3)c2)cs1 72298013 JOHQWNCXNCKFDZ-AWEZNQCLSA-N 416.572 3.280 0 40 HGAB COc1ccc([C@@H]2[C@H](C(=O)NCc3cccnc3)c3ccccc3C(=O)N2C)cc1 95478707 VUJCPKWMZXXBQQ-FGZHOGPDSA-N 401.466 3.317 0 40 HGAB COC(=O)c1ccc(C(=O)N2CCC(Oc3ncccc3Br)CC2)cc1 96096930 ZHBNWJZTMZWROJ-UHFFFAOYSA-N 419.275 3.314 0 40 HGAB COc1ccc(CN2C(=O)N[C@@H](CCC(=O)Nc3nc4ccccc4s3)C2=O)cc1 96230870 HWHCSSLNJJUHBH-INIZCTEOSA-N 424.482 3.144 0 40 HGAB CCOC(=O)C1(C(=O)OCC)[C@@H](c2ccccc2)[C@H]1S(=O)(=O)c1ccc(C)cc1 218046229 CWXSCVMIKQBMPY-RBUKOAKNSA-N 416.495 3.047 0 40 HGAB CC[C@@H](C(=O)NCCCN(C)c1ccccc1)N(c1ccc(F)cc1)S(C)(=O)=O 219118995 PIZVTKQZBBMHAU-FQEVSTJZSA-N 421.538 3.013 0 40 HGAB CC[C@@H](C(=O)Nc1cc(C(=O)OC)ccc1C)N(c1cccc(C)c1)S(C)(=O)=O 220504762 JTUUCGASNXUXOJ-IBGZPJMESA-N 418.515 3.273 0 40 HGAB COc1ccc(NC(=O)CCCN(c2ccccc2C)S(C)(=O)=O)c(OC)c1 222550436 RIYBUSMNRMYWMX-UHFFFAOYSA-N 406.504 3.197 0 40 HGAB COCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1Cc1cccnc1 223046048 KXICSNAWCRUTQQ-RTWAWAEBSA-N 407.543 3.335 0 40 HGAB CCn1c(=O)oc2cc(S(=O)(=O)Nc3ccc(OC)cc3OC)c(Cl)cc21 223364521 NYGFXVLYQQACRH-UHFFFAOYSA-N 412.851 3.086 0 40 HGAB CCCn1c(=O)sc2cc(S(=O)(=O)NCCOc3cccc(C)c3C)ccc21 223974198 HWCHGFSZDRKWQT-UHFFFAOYSA-N 420.556 3.447 0 40 HGAB Cc1ccc(C(=O)NCCOc2ccccc2)cc1S(=O)(=O)N1CCCCCC1 224024386 NACPTYNJGZSJPV-UHFFFAOYSA-N 416.543 3.369 0 40 HGAB Cc1cc(C)cc(OCCNC(=O)CN(c2ccc(Cl)cc2C)S(C)(=O)=O)c1 224064529 UFRNNFPXNHLYPN-UHFFFAOYSA-N 424.950 3.226 0 40 HGAB O=C(NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(Cl)cc1 224352653 DHXMWWRBOROFHQ-UHFFFAOYSA-N 422.934 3.323 0 40 HGAB COc1ccc(C(=O)NC2CCCC2)cc1CN(C)S(=O)(=O)c1ccccc1 224765943 JKWAXGODKDNDKP-UHFFFAOYSA-N 402.516 3.188 0 40 HGAB CCOC(=O)C1=C(CN(C)[C@H](c2ccccc2)c2ccc(F)cc2)NC(=O)N[C@H]1C 225498958 GOHLCEDCABWBBI-YCRPNKLZSA-N 411.477 3.365 0 40 HGAB O=C(Nc1ccc(OCCCN2CCOCC2)cc1)C1(c2ccccc2)CCOCC1 225561699 NGECCKSCYLLUFS-UHFFFAOYSA-N 424.541 3.475 0 40 HGAB COc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cc(C)ccc3C)CC2)cc1 225926025 MABRWUCEDCCRBU-UHFFFAOYSA-N 402.516 3.351 0 40 HGAB COc1ccc(N(C)C(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 226072483 GAGZJIVDHAUZGS-UHFFFAOYSA-N 402.516 3.067 0 40 HGAB O=C(CCc1nc2ncc(Br)cc2[nH]1)NC[C@H]1CCCN2CCCC[C@@H]12 230000070 HDCXFIQASNQSDD-CJNGLKHVSA-N 420.355 3.034 0 40 HGAB O=C(N1CCOC[C@H](Cc2cn3ccnc3cn2)C1)C1(c2ccccc2F)CCCC1 257235025 GWCKOVRYIQVDIC-GOSISDBHSA-N 422.504 3.398 0 40 HGAB COc1ccc(C)cc1N([C@H](C)C(=O)N[C@H](C)c1ccc(C)cc1)S(C)(=O)=O 260593210 YVSOAMKZBWBDRF-IAGOWNOFSA-N 404.532 3.344 0 40 HGAB O=C(Cc1ccccn1)N1Cc2ccccc2-c2nc(N3CCOCC3)sc2C1 306132837 LTURCSGMBNUVNI-UHFFFAOYSA-N 406.511 3.127 0 40 HGAB CCCCNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(OCC)cc1 408619424 HUYFOBVIHCSLFA-UHFFFAOYSA-N 404.532 3.193 0 40 HGAB Cc1ccc(C(=O)O)cc1NC(=O)c1cccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 408673780 VGMXOALPPZAPQF-ROUUACIJSA-N 404.422 3.401 0 40 HGAB Cc1ccc(C)c(N(CCCC(=O)NCCSC(C)(C)C)S(C)(=O)=O)c1 408705244 AIEWEVBSNKTONW-UHFFFAOYSA-N 400.610 3.498 0 40 HGAB COc1ccc(-c2nnc(CN(C)C(=O)[C@@H](C)Oc3ccc(C)cc3)o2)cc1OC 408714134 JNDMSGMOYNRXHA-OAHLLOKOSA-N 411.458 3.488 0 40 HGAB CN1C(=O)c2cccc3c(S(=O)(=O)NC[C@H]4[C@H]5c6ccccc6C[C@H]54)ccc1c23 513119980 HGPKXWLZNZUHID-UEXGIBASSA-N 404.491 3.294 0 40 HGAB CCCNC(=O)N1CC[C@@](C)(O)[C@@H](NC(=O)c2ccc(F)cc2)[C@@H]1c1cccs1 514290199 VGPPULRKUIEPBA-BBTUJRGHSA-N 419.522 3.303 0 40 HGAB biogenic,in-vitro Cc1ccc(CNC(=O)C(=O)NC[C@H]2CCN(C3CC3)C2)c(O[C@@H](C)CC(C)C)c1 551280434 NTOXYSFDCDBGND-RBUKOAKNSA-N 415.578 3.025 0 40 HGAB CN1CCN([C@@H](c2ccccc2)c2nc(-c3ccc(Br)o3)no2)CC1 573231568 LKWMYRSTPUMBIB-INIZCTEOSA-N 403.280 3.429 0 40 HGAB C=CC(=O)Nc1ccc(O)c(C(=O)N[C@]23CCC[C@H]2N(C(=O)OC(C)(C)C)CC3)c1 1633957638 AMCWSVYJGPTDFD-VGSWGCGISA-N 415.490 3.179 0 40 HGAB CCOc1ccc(C(=O)N2C[C@@H]3CN(c4ccc(C(F)(F)F)cn4)C[C@H]3C2)cn1 1888856501 FEHJGMVWHOZYLN-GJZGRUSLSA-N 406.408 3.103 0 40 HGAB CCOc1cc(N2CCOCC2)c(OCC)cc1NS(=O)(=O)c1ccccc1 1036004 XSIAIXUYDYNTRA-UHFFFAOYSA-N 406.504 3.121 0 40 HGAB O=S(=O)(NC1CCCCC1)c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 1325609 MLLVRAWZLHTIQP-UHFFFAOYSA-N 420.556 3.049 0 40 HGAB COc1cc(C(=O)Nc2ncc3c(n2)C[C@@H](c2ccco2)CC3=O)cc(OC)c1OC 2407177 CNEQSTVNPQFLPW-GFCCVEGCSA-N 423.425 3.260 0 40 HGAB CN(Cc1ccccc1)C(=O)COC(=O)c1cccc(I)c1 3269626 RBASMEVBCCBIBP-UHFFFAOYSA-N 409.223 3.107 0 40 HGAB CCOC(=O)C1(S(=O)(=O)c2ccccc2)CCN(Cc2ccc(C)cc2)CC1 4038407 DQBSGZGYQPOXPQ-UHFFFAOYSA-N 401.528 3.367 0 40 HGAB CC(C)CNC(=O)[C@H](C(C)C)N1C(=O)N2CCc3c([nH]c4ccccc34)[C@@]2(C)C1=O 4084029 LTWSILOUZFIBJB-MBSDFSHPSA-N 410.518 3.000 0 40 HGAB biogenic CCCNC(=S)N(Cc1cc2cc(OCC)ccc2[nH]c1=O)C[C@H]1CCCO1 4216163 FTULNRISNPJQKA-GOSISDBHSA-N 403.548 3.192 0 40 HGAB O=c1ccc(-c2ccccc2)c2n1C[C@H]1C[C@@H]2CN(S(=O)(=O)c2cccs2)C1 4258797 PGTZTXCRVAAPSP-DOTOQJQBSA-N 412.536 3.385 0 40 HGAB biogenic,in-vitro COc1ccc([C@H]2C(C(=O)Nc3cc(OC)ccc3OC)=C(C)Nc3ncnn32)cc1 4384720 GTSBIGCGEGKNQY-FQEVSTJZSA-N 421.457 3.232 0 40 HGAB Cc1ccc(=O)n([C@@H](C(=O)c2ccc(F)cc2)C(=O)N2CCc3ccccc3C2)c1 4698655 NLSBDIHPBQSYOT-QFIPXVFZSA-N 404.441 3.305 0 40 HGAB COc1ccc2nc(NC(=S)NC(=O)c3ccc(OC)c(OC)c3)sc2c1 4776877 BVUKINSFKZRLBG-UHFFFAOYSA-N 403.485 3.449 0 40 HGAB COc1ccc(OCCOC(=O)CNC(=O)CC23CC4CC(CC(C4)C2)C3)cc1 4791219 OFTIOSANXAHZHV-UHFFFAOYSA-N 401.503 3.340 0 40 HGAB COc1cc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2C[C@@H]2CCCO2)ccc1O 5342751 LBNGANKQKIIDBA-RCDICMHDSA-N 421.453 3.221 0 40 HGAB CCOc1ccccc1OCCCC(=O)Nc1ccc(C)c(S(=O)(=O)N(C)C)c1 6355818 IBYDFMVJNXKDRS-UHFFFAOYSA-N 420.531 3.442 0 40 HGAB COc1cc(/C=C/C(=O)OCC(=O)N2c3ccccc3C[C@@H]2C)cc(OC)c1OC 6602146 CXSWMUHIAVOHNC-FEAKQIBJSA-N 411.454 3.247 0 40 HGAB CCc1nnc2n1N[C@@H](c1ccc(OC)cc1)[C@@H](C(=O)Nc1ccc(F)cc1)S2 6811995 XEXRJBHKAATYHG-ROUUACIJSA-N 413.478 3.386 0 40 HGAB Cc1nnc(SCC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)n1-c1ccccc1 6985202 VIBVTOZLVJLVEV-AWEZNQCLSA-N 407.499 3.432 0 40 HGAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)Sc1nnc(C[C@H]2CCS(=O)(=O)C2)o1 7046109 STQZKQPRMZKJNW-QWHCGFSZSA-N 419.528 3.200 0 40 HGAB CCC(=O)N(c1nnc(SCc2cc(=O)n3cccc(C)c3n2)s1)C1CC1 7673057 NDNBQNQQMAGUQA-UHFFFAOYSA-N 401.517 3.052 0 40 HGAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CN(C)Cc1cc(-c2cccs2)on1 7874845 PETPKKRMTCJTSH-MRXNPFEDSA-N 420.560 3.208 0 40 HGAB CCc1nn2c(=O)cc(CSc3nnc(C4CC4)n3-c3ccccc3)nc2s1 8156491 OTFWZVOVKYUCGN-UHFFFAOYSA-N 410.528 3.464 0 40 HGAB CC1(C)NC(=O)N(CCC(=O)Nc2cc(Cl)ccc2N2CCCCCC2)C1=O 8229705 UBBAYLLOBAKDCA-UHFFFAOYSA-N 406.914 3.379 0 40 HGAB O=C(Nc1ccc(=O)n2c1[C@@H]1C[C@@H](CN(C(=O)c3ccc(F)cc3)C1)C2)c1ccco1 8300347 NPMXLTYSUPMNPE-GOEBONIOSA-N 421.428 3.092 0 40 HGAB biogenic,in-vitro CCN(CC)S(=O)(=O)c1ccc(NC(=S)NC(=O)/C=C/c2ccccc2)cc1 9520014 DFYFYVVHVIQPGU-XNTDXEJSSA-N 417.556 3.244 0 40 HGAB O=C(Cc1csc(NC(=O)c2ccc3c(c2)OCO3)n1)NCc1cccs1 9659264 ZEBNJYBXHDALHQ-UHFFFAOYSA-N 401.469 3.045 0 40 HGAB CCOC(=O)c1cccc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2C)c1 10441778 RQPCMUSHQLZGLV-UHFFFAOYSA-N 416.499 3.209 0 40 HGAB COc1ccc(NC(=O)C[C@@H]2CCCCN2S(=O)(=O)c2ccc(F)cc2)cc1 11612808 VVZDAXXUAFCQLY-KRWDZBQOSA-N 406.479 3.406 0 40 HGAB CCOC(=O)c1ccc(N2CC3=C(C2=O)[C@@H](c2ccc(C)cc2)NC(=O)N3C)cc1 12411014 UXXKGDZXEQIAGA-HXUWFJFHSA-N 405.454 3.169 0 40 HGAB COc1ccc(OC)c([C@H]2CC(=O)Nc3c2cnn3Cc2ccc3c(c2)OCO3)c1 12419854 ZNXNGGBFWRCYIS-OAHLLOKOSA-N 407.426 3.151 0 40 HGAB C[C@@H](C(=O)Nc1nc(-c2cc(F)ccc2F)cs1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 12537951 VPPVVVJBVRABFT-DRZSPHRISA-N 417.437 3.367 0 40 HGAB COC(=O)c1ccc(NC(=O)[C@H](C)NC(=O)c2ccc(Br)cc2)s1 12786065 LJOXCBPKHPUBIK-VIFPVBQESA-N 411.277 3.054 0 40 HGAB CN(C)Cc1ccccc1CNC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1 12905309 CJJOMTMPTNWRLX-OUKQBFOZSA-N 405.542 3.316 0 40 HGAB CC[C@H](C)NC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1 13680135 REKWDLHBLWRKMX-UGSOOPFHSA-N 408.907 3.211 0 40 HGAB C[C@H](OC[C@@H](O)CN(C)Cc1nc(=O)c2ccccc2[nH]1)c1ccc(Cl)cc1 13683049 KTOLXAREESXCQJ-YOEHRIQHSA-N 401.894 3.147 0 40 HGAB CC[C@@H](C(=O)NCCSCc1ccccc1)N(c1ccccc1)S(C)(=O)=O 13711163 KPPRMDHHKQEYNR-IBGZPJMESA-N 406.573 3.281 0 40 HGAB CCN(c1ccccc1)S(=O)(=O)c1ccc(OCC(=O)NCCC(C)C)cc1 14083943 CCCXHSOTFNOGJA-UHFFFAOYSA-N 404.532 3.443 0 40 HGAB C[C@@H](Sc1ccc2c(c1)OCCO2)C(=O)Nc1sc2c(c1C(N)=O)CCC2 14242965 SJGLSZDIDYWRLI-SNVBAGLBSA-N 404.513 3.226 0 40 HGAB CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)Cc1cccc(C(F)(F)F)c1 15717981 YHAPENWEBFEANP-UHFFFAOYSA-N 412.433 3.088 0 40 HGAB CCCc1nn(CC(=O)Nc2ccc(C(=O)OCC)cc2)c(=S)n1-n1cccc1 16777298 POWAHHMQKZZVNZ-UHFFFAOYSA-N 413.503 3.295 0 40 HGAB COc1ccc(OC)c(NC(=O)CCc2ccc(S(=O)(=O)N3CCCC3)cc2)c1 16960743 MLVNPFLOQBTOGT-UHFFFAOYSA-N 418.515 3.060 0 40 HGAB COCCN(Cc1ccccc1)C(=O)CSc1nnc(C)n1Cc1ccccc1 18486421 LVUDFLPZLOIMGC-UHFFFAOYSA-N 410.543 3.402 0 40 HGAB C[C@H]1Oc2ccccc2N([C@H](C)C(=O)Nc2ccccc2OCCn2cccn2)C1=O 19462076 UXGLFDZEXWQJGT-IAGOWNOFSA-N 420.469 3.103 0 40 HGAB CCNC(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CCCN(C(=O)c2ccncc2)C1 19528690 IAZGGSXVEGFJML-XMMPIXPASA-N 418.497 3.338 0 40 HGAB CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1Cl 20455314 DLUSEEGQIVDNPR-UHFFFAOYSA-N 422.890 3.444 0 40 HGAB Cn1ccnc1[C@@H](NC(=O)c1cccc(N2C(=O)CCC2=O)c1)c1ccc(Cl)cc1 21600957 VWGDDWVTXWKZNX-FQEVSTJZSA-N 422.872 3.246 0 40 HGAB CCOC(=O)C1CCN([C@H](c2ccc(F)cc2)c2sc3ncnn3c2O)CC1 22609646 MDZGLNWHIMPXDE-OAHLLOKOSA-N 404.467 3.000 0 40 HGAB COc1ccccc1[C@@H](CNC(=O)c1nn(-c2ccccc2)nc1C)N1CCCC1 22679673 REWWHWRFBPWYFY-HXUWFJFHSA-N 405.502 3.151 0 40 HGAB C[C@H](Sc1nc(N)c2ccsc2n1)C(=O)N1CCN(Cc2ccccc2)CC1 22747905 VYGPEUXFUZHKOG-AWEZNQCLSA-N 413.572 3.099 0 40 HGAB CCc1nc2sc([C@@H](c3ccc(C(F)(F)F)cc3)N3CCOCC3)c(O)n2n1 22854259 SATGLZWFZZAGBH-CQSZACIVSA-N 412.437 3.499 0 40 HGAB Cc1ccc([C@@H](OC[C@@H](O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)c2ccccc2)cc1 24095457 PROMCBIJMAITKX-GPJHCHHRSA-N 405.494 3.413 0 40 HGAB NC(=O)N[C@@H](CC(=O)NCc1ccccc1Cn1ccnc1)c1ccccc1Cl 24437520 CZVJDAGVHBCYGT-IBGZPJMESA-N 411.893 3.001 0 40 HGAB CC(=O)c1cccc(OC[C@@H](O)CN2CCN(Cc3ccc(Cl)s3)CC2)c1 25230502 KXEVWIWDVREAQS-KRWDZBQOSA-N 408.951 3.162 0 40 HGAB C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)CCN1C(=O)NC(C)(C)C1=O 26913118 XCHDRRUOCLWQAF-INIZCTEOSA-N 408.502 3.262 0 40 HGAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1ccc(COc2cccc(Cl)c2Cl)o1 27984777 AKTOYVONSVVJRW-SNVBAGLBSA-N 404.271 3.082 0 40 HGAB CCOC(=O)[C@@H]1CCCN(C(=O)c2cc(Br)c(OCC)c(OC)c2)C1 28700388 FQPLZCZDJFHRDE-GFCCVEGCSA-N 414.296 3.272 0 40 HGAB CS(=O)(=O)Cc1cccc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)c1 29797688 BHXNMAXZSXFBNY-IBGZPJMESA-N 415.511 3.370 0 40 HGAB O=C(CCC(=O)c1ccc2c(c1)OCCO2)OCc1noc(-c2ccsc2)n1 30788438 SWOVZOWSKSVBNU-UHFFFAOYSA-N 400.412 3.276 0 40 HGAB C[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)c1ccc2c(c1)OCCCO2 32443116 RMPVUOQEUHJVEF-AWEZNQCLSA-N 405.472 3.049 0 40 HGAB O=C(Cn1cnc2ccccc2c1=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1 32736199 PWVFLVWDQQSGMZ-QGZVFWFLSA-N 404.451 3.429 0 40 HGAB O=C(NCc1ccccc1Cn1cccn1)[C@@H]1CCCN(C(=O)c2cccs2)C1 32759143 PQKFXZCJGOULGE-LJQANCHMSA-N 408.527 3.162 0 40 HGAB Cc1ccc(NC(=O)N2CCN(S(=O)(=O)c3cccc4cc(C)cnc34)CC2)cc1 40086413 KVLHHDSKMORPCR-UHFFFAOYSA-N 424.526 3.390 0 40 HGAB O=C(NCCCN1CCCCCC1)c1ccc(F)cc1I 42828650 ZYCPEWDEPIFBFI-UHFFFAOYSA-N 404.267 3.426 0 40 HGAB Cc1cccc(N2CCN(C(=O)c3ccc(NS(C)(=O)=O)cc3Cl)CC2)c1C 44883489 MJOYAKQSEOMDHZ-UHFFFAOYSA-N 421.950 3.291 0 40 HGAB O=C(CN1CCN(c2ccccc2)CC1)N1c2ccccc2NC(=O)C12CCCC2 45605897 LTWPGAFWJZCCEL-UHFFFAOYSA-N 404.514 3.107 0 40 HGAB COC(=O)[C@H](CNC(=O)Nc1ccc2c(C)cc(=O)oc2c1)Cc1ccc(F)cc1 58008798 NZZRWSSVSRGUAT-HNNXBMFYSA-N 412.417 3.394 0 40 HGAB CCN1C[C@@H](CN(C)C(=O)c2[nH]nc(C3CC3)c2Br)Oc2ccccc21 65497522 UUDWLKBWAXEREY-CYBMUJFWSA-N 419.323 3.409 0 40 HGAB Cc1c(C(=O)NC2CCCCC2)nnn1-c1cccc2c1CCN(C(=O)NC(C)C)C2 70011620 MSBJPCPKACHLQR-UHFFFAOYSA-N 424.549 3.114 0 40 HGAB CC[C@@H](C(=O)N1[C@@H](C(=O)O)COC12CCN(Cc1ccccc1)CC2)c1ccccc1 71980615 GEHIEJFHPFJMAP-FGZHOGPDSA-N 422.525 3.485 0 40 HGAB Cc1c(C(=O)COC(=O)c2ccc([C@@]3(C)NC(=O)NC3=O)cc2)sc2ccccc12 72312586 JKUABAGGVBLLSR-JOCHJYFZSA-N 422.462 3.304 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccnc(Nc3nccs3)n2)cc1 72377751 DBPGZACQUOSKDD-INIZCTEOSA-N 417.516 3.211 0 40 HGAB COc1ccc(CCC(=O)N2CCC[C@@H]2c2ccnc(Nc3ncccn3)n2)cc1 72377877 VYJCTQDROBZKLB-LJQANCHMSA-N 404.474 3.315 0 40 HGAB Cc1ccnn1[C@@H](C)C(=O)NC1CCN(Cc2cc(-c3ccccc3F)nn2C)CC1 72390500 YGQFGYNPSNYXEM-KRWDZBQOSA-N 424.524 3.073 0 40 HGAB O=C(NCCc1ccc(Cl)cc1)c1nnn(-c2ccc(Br)cc2)n1 77100502 OIVDPWAOFFGNMS-UHFFFAOYSA-N 406.671 3.051 0 40 HGAB O=C1N[C@@]2(CCc3ccccc32)C(=O)N1CC(=O)N1CCC[C@H]1/C=C/c1ccccc1 96002279 XCGFOHSGNXOEDO-NWWPIIEXSA-N 415.493 3.084 0 40 HGAB COc1ccc(-c2ncnc3c2c(C(=O)NC[C@@H]2CCCO2)c2ccccn23)cc1 96146679 XMIXCYBLCYBOKU-KRWDZBQOSA-N 402.454 3.467 0 40 HGAB Cc1noc(C)c1CN1CCC[C@]2(CCN(S(=O)(=O)c3ccc(F)cc3)C2)C1 96216020 RWDRVXBKEZEZGL-FQEVSTJZSA-N 407.511 3.107 0 40 HGAB CCOC(=O)/C=C1/SCC(=O)N1CCOC(=O)c1cccc(Cl)c1Cl 96889636 UCSOIOBLNNAATC-MDWZMJQESA-N 404.271 3.130 0 40 HGAB O=C1[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@H]2C(=O)N1CN(C(=O)C(F)(F)F)c1ccccc1Cl 100395228 JVRDQUOEXUDOPB-NWOLRWQLSA-N 424.806 3.246 0 40 HGAB O=C(NC1C[C@H]2CCC[C@H](C1)N2S(=O)(=O)c1ccccc1F)c1ccc(F)cc1 100427277 BDDBUHTZEWEZOW-QZTJIDSGSA-N 420.481 3.469 0 40 HGAB O=C(O)[C@@H]1[C@@H](C(=O)NCCCn2nc(C(F)(F)F)cc2C2CC2)[C@H]2C=C[C@H]1CC2 102403808 RGAGQKMRRLTDJO-PYTWLRIVSA-N 411.424 3.199 0 40 HGAB CCCOc1ccc(/C=c2\s/c(=C/C(=O)C(C)(C)C)[nH]c2=O)c(OCCC)c1 105740077 IFBPFNATQMJOSH-RFBHYOBZSA-N 403.544 3.239 0 40 HGAB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NC(C)(C)C)Cc1ccccc1 107613115 XWYLFOQQKLVPQK-UHFFFAOYSA-N 404.532 3.109 0 40 HGAB O=C1CC[C@H]2CN(S(=O)(=O)Cc3cccc(C(F)(F)F)c3)CC[C@@H]2N1C1CC1 108147636 WBZNTOVWNYNLOZ-YOEHRIQHSA-N 416.465 3.011 0 40 HGAB COc1ncccc1C(=O)N1CCC(N2CCC(Oc3ccccc3F)CC2)CC1 217382395 YCIYDVTYMQPVFP-UHFFFAOYSA-N 413.493 3.377 0 40 HGAB COc1ccc(CCCNC(=O)c2ccc(N(C)S(C)(=O)=O)cc2Cl)cc1 222519222 SBMFPQGIDXUVKP-UHFFFAOYSA-N 410.923 3.107 0 40 HGAB CC[C@H](Oc1ccc(C)cc1C)C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21 222963210 JKDMBVVUQQOEFX-FQEVSTJZSA-N 416.543 3.300 0 40 HGAB CC(C)(C)c1ccc(OCCNC(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)cc1 223669652 RKKZTFNZUOSPEL-UHFFFAOYSA-N 422.522 3.084 0 40 HGAB CC[C@H](C(=O)NCCc1ccc(F)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O 224306769 LVRDKTMSTBXNCC-GOSISDBHSA-N 412.914 3.383 0 40 HGAB CCc1ccccc1N(CC(=O)NCc1cccc(C(F)(F)F)c1)S(C)(=O)=O 224509062 NMGNWROBFULHKE-UHFFFAOYSA-N 414.449 3.350 0 40 HGAB Cc1ccc(C(=O)NCCN2C[C@@H](C)C[C@H](C)C2)c(I)c1 225028052 KMXVAALSWALYKU-KBPBESRZSA-N 400.304 3.307 0 40 HGAB CCCOc1ccccc1CCCNC(=O)[C@H](c1ccccc1)N(C)S(C)(=O)=O 225456508 STSSBVJRYIQHBZ-NRFANRHFSA-N 418.559 3.157 0 40 HGAB COc1cccc(NC(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2OC)c1 225761930 URYOVFQRVOGQTM-UHFFFAOYSA-N 405.476 3.132 0 40 HGAB COc1cccc(CNC(=O)[C@H]2[C@@H]3[C@H]2CC[C@]32CC(=O)c3ccccc3O2)c1OC 248155775 YYNWUEYAZSSTND-VXUOGJGISA-N 407.466 3.380 0 40 HGAB CO[C@@H]1CCN(CC(=O)Nc2nc(-c3ccc(F)cc3)cs2)C[C@]12CCCO2 257304166 SKHLZCNADBQGMP-YLJYHZDGSA-N 405.495 3.158 0 40 HGAB COc1cccc(Cc2cnc([C@@H]3CCCN(C(=O)Cn4nc(C)cc4C)C3)o2)c1 257316569 VGDJFVCGYUFEQX-LJQANCHMSA-N 408.502 3.494 0 40 HGAB O=C1CCCC[C@H]2[C@@H](C[C@@H](c3cccc(C(F)(F)F)c3)N2C(=O)Cn2cccn2)N1 257326422 WXDQBNKFYZHVBN-SQNIBIBYSA-N 420.435 3.303 0 40 HGAB Cc1cccc(C)c1OCC(=O)N1CCC[C@H](c2n[nH]cc2C(=O)N2CCCCC2)C1 257337570 YTJFRXQTAOHQPG-IBGZPJMESA-N 424.545 3.438 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3cccc(C)c3)C2)cc1C 260753501 ZESZAICJZCHEJT-IBGZPJMESA-N 416.543 3.029 0 40 HGAB CC(C)n1cnc([C@@H]2CN(Cc3cnn(C(C)C)c3)C[C@@]23CCN(CC2CC2)C3=O)c1 306136924 QGVMCKNBZDVLLY-URXFXBBRSA-N 424.593 3.470 0 40 HGAB CCc1ccc(CNC(=O)C(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1 408709563 UDXNZCYAKCDSFV-UHFFFAOYSA-N 405.454 3.027 0 40 HGAB O=C(NCCc1ccc(F)c(F)c1)NCc1cc2c(cc1OC(F)F)OCO2 526046644 MAYDBLZSCBMVIZ-UHFFFAOYSA-N 400.328 3.337 0 40 HGAB Cc1cc(C)cc([C@@H]2CCN(C(=O)Nc3cc(C)nn3[C@@H]3CCS(=O)(=O)C3)C2)c1 558244167 LMQWVINRCGZIOV-IEBWSBKVSA-N 416.547 3.189 0 40 HGAB Cn1cc(CC(=O)N2CCC[C@@H](n3cnc4ccccc4c3=O)C2)c2ccccc21 575616971 LWHRTYLKPWQVKP-GOSISDBHSA-N 400.482 3.294 0 40 HGAB Cc1nc(Nc2nnc(C)s2)cc([C@H]2CCCCN2C(=O)/C=C/c2ccco2)n1 585292612 PPZVVSAZLYLASS-KBOKABMXSA-N 410.503 4.049 0 40 HGAB Cc1ccc2nc(NC(=O)CN3C(=O)N[C@]4(C[C@@H](C)CC(C)(C)C4)C3=O)sc2n1 1538103290 MOQYJVXSPOSBQU-YBTHPKLGSA-N 415.519 3.075 0 40 HGAB O=S(=O)(c1ccccc1F)N1CC[C@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@H]21 1889211480 LATSQUUASVBTBH-SWLSCSKDSA-N 415.412 3.139 0 40 HGAB CCCNc1nc2ccccc2nc1NS(=O)(=O)c1cccc2nsnc12 2226122 WGGJZFWFBMILTL-UHFFFAOYSA-N 400.489 3.257 0 40 HGAB O=c1/c(=C/c2ccccc2Br)sc2nc(-c3ccc(F)cc3)nn12 2702528 DAZYPZMZEYOEPD-ZROIWOOFSA-N 402.248 3.267 0 40 HGAB O=C(COc1ccc(Br)cc1Br)NC(=O)NC1CCCC1 3515663 TYSJVCDYOIRGSY-UHFFFAOYSA-N 420.101 3.359 0 40 HGAB COc1ccc(OC)c2[nH]c(=O)c(CCNC(=O)c3c(F)cccc3Cl)cc12 4032786 CUQGJMWCPFHASP-UHFFFAOYSA-N 404.825 3.310 0 40 HGAB O=C(CSc1ncnc2c1nnn2Cc1ccc(F)cc1)Nc1ccc(F)cc1 4166434 MVLHMBUEHYAKNB-UHFFFAOYSA-N 412.425 3.279 0 40 HGAB Cc1ccc(C)c(C(=O)COC(=O)[C@H](C(C)C)N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2=O)c1 4178428 LFVFIRCVBDCTAY-FNCFORQESA-N 411.498 3.085 0 40 HGAB C[C@@H]1CCCN(S(=O)(=O)c2ccc(NS(=O)(=O)Cc3ccccc3)cc2)C1 4742369 XYFGEOOBCCXIQP-MRXNPFEDSA-N 408.545 3.049 0 40 HGAB CC(C)N1CCc2c(sc(NC(=O)CSc3ccc(F)cc3)c2C(N)=O)C1 5192470 VTHYSUCVFGTIJR-UHFFFAOYSA-N 407.536 3.483 0 40 HGAB CSCC[C@@H](NC(=O)COc1ccccc1)C(=O)OCCOc1ccc(C)cc1 5229620 OPZJTMXEMBFNIC-HXUWFJFHSA-N 417.527 3.234 0 40 HGAB CCc1ccc2[nH]c(=O)c(CN(CCCO)C(=S)NC3CCCCC3)cc2c1 6197711 HKXVZJZMNRIGQT-UHFFFAOYSA-N 401.576 3.482 0 40 HGAB CCCOc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(C)cc3)CC2=O)cc1 6881011 MKOQJOOIHQXLNB-KRWDZBQOSA-N 410.470 3.319 0 40 HGAB CC(=O)Nc1ccc(SCC(=O)c2cc(C)n([C@H]3CCS(=O)(=O)C3)c2C)cc1 6919763 BNEUOADICQGJIT-KRWDZBQOSA-N 420.556 3.398 0 40 HGAB C[C@@H](Sc1ccc(S(=O)(=O)N(C)C2CCCCC2)cn1)C(=O)NC(C)(C)C 7190212 JYRNPPDQEHGWNM-CQSZACIVSA-N 413.609 3.430 0 40 HGAB O=S(=O)(Nc1ccccc1NS(=O)(=O)c1cccs1)c1ccc(F)cc1 7409744 DJDKFMBRTDNVSP-UHFFFAOYSA-N 412.489 3.489 0 40 HGAB CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](C)OC(=O)CCC2CCCC2)cc1 7483862 YRKUBIBVYMAIRN-HNNXBMFYSA-N 410.536 3.214 0 40 HGAB C[C@H](C(=O)OCc1nnc(-c2ccc(Cl)cc2)o1)N1C(=O)c2ccccc2C1=O 7806758 OWUSXTDBEGQPDS-LLVKDONJSA-N 411.801 3.118 0 40 HGAB C[C@@H]1Cc2cc(C(=O)N(C)Cc3c(F)cccc3Cl)ccc2N1S(C)(=O)=O 8314242 SCUSNEIZLQHRKO-GFCCVEGCSA-N 410.898 3.462 0 40 HGAB CN(CC(=O)OCc1ncc(-c2ccccc2)o1)S(=O)(=O)c1ccc(Cl)cc1 8631734 JBCBWMUMLHUZJO-UHFFFAOYSA-N 420.874 3.359 0 40 HGAB Cc1cc(NC(=O)C(=O)NC[C@H](c2ccsc2)N2CCCC2)c2ccccc2n1 8864301 HNMVKEDGZXMBLS-HXUWFJFHSA-N 408.527 3.497 0 40 HGAB CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(-n2cnnn2)cc1 8918813 DEWUMCJOOGWYPL-GOSISDBHSA-N 412.881 3.099 0 40 HGAB CCN1CCc2c([nH]c3ccccc23)[C@@H]1c1c(O)nc(O)n(-c2cccc(C)c2)c1=O 8994391 LXTDJZNSAGXKHD-NRFANRHFSA-N 416.481 3.401 0 40 HGAB biogenic Cn1c(=O)[nH]c(=O)c2c1nc1n(-c3ccc(F)cc3)c(-c3ccc(Cl)cc3)cn21 10104632 UEWIOFDTTSXBBX-UHFFFAOYSA-N 409.808 3.125 0 40 HGAB CC[C@@H](C)NC(=O)CN1C(=O)N(c2ccc(C)c(C)c2)S(=O)(=O)c2ccccc21 10273008 ALXDMFWHHZRMCI-MRXNPFEDSA-N 415.515 3.353 0 40 HGAB CCOc1ccc(-c2nnc(O)c3c2[C@@H](c2ccc(CC)cc2)n2nnnc2N3)cc1 10295888 NMLHDAVAXFEGBD-HXUWFJFHSA-N 415.457 3.492 0 40 HGAB CCc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cc(F)ccc3OC)CC2)cc1 10302926 DSSIVISAFOXBMA-UHFFFAOYSA-N 420.506 3.436 0 40 HGAB COC(=O)c1c(C)cccc1NC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 11058325 NOJHOHDNIBNQSC-UHFFFAOYSA-N 416.499 3.209 0 40 HGAB CN(C)C[C@H](NC(=O)C1CCC2(CC1)CNC(=O)c1ccccc1O2)c1ccccc1 12086809 XFEOYTOQYVLMRW-XWGIXXMPSA-N 421.541 3.157 0 40 HGAB Cn1ccnc1[C@H](O)c1cccc(F)c1N1CCN(CCCc2ccccc2)CC1 12143388 PNYCRMJRMLGCGU-HSZRJFAPSA-N 408.521 3.396 0 40 HGAB CCn1c(N2CCC[C@@H](C(=O)NCc3ccc4c(c3)OCO4)C2)nc2ccccc21 12145817 NPDNIGKFFUHORI-QGZVFWFLSA-N 406.486 3.318 0 40 HGAB CCCCn1c(=O)[nH]c(=O)c2c1nc(COC(=O)Nc1ccc(C)cc1)n2CCC 12550117 RCTUEBLZVBXGNV-UHFFFAOYSA-N 413.478 3.154 0 40 HGAB COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H]2C[C@@H](NCCO)C[C@@H](c3ccccc3)N12 12603084 MKISYXAMDJIFRC-QMZRJTEUSA-N 419.525 3.094 0 40 HGAB biogenic,in-vitro CCOC(=O)c1c(C)oc2nc(CSc3nnc(NC(C)(C)C)s3)[nH]c(=O)c12 12753330 RQGQONRHSNMGCP-UHFFFAOYSA-N 423.520 3.355 0 40 HGAB COc1ccc([C@@H](CNC(=O)N[C@H](C)c2ccccc2)N2CCOCC2)cc1OC 12981720 WLLXCEGJWMEBKX-YLJYHZDGSA-N 413.518 3.138 0 40 HGAB CN1CCCc2cc(CCNC(=O)C(=O)Nc3ccc(OC(F)(F)F)cc3)ccc21 13006820 PTJLYYFKFADXHU-UHFFFAOYSA-N 421.419 3.265 0 40 HGAB Cc1nn(-c2ccc(N3CCN(C(=O)c4ccccc4Cl)CC3)nn2)c(C)c1C 13008975 INRQYGMCLFKTBD-UHFFFAOYSA-N 410.909 3.203 0 40 HGAB Cc1ccccc1[C@H](C)NC(=O)CN1CCN(c2ccc(C(F)(F)F)cn2)CC1 13038761 RJHCIKBUXZDTEW-INIZCTEOSA-N 406.452 3.408 0 40 HGAB CC1(C)O[C@H](N2N=C(Br)[C@H]3C(=O)NC=N[C@@H]32)C(C)(C)C(C)(C)C1(C)C 13410873 GOYRCAGRXJTZSS-QKCSRTOESA-N 413.360 3.324 0 40 HGAB CCOC(=O)c1ccc(NC(=O)c2ccc3c(c2)CCCN3S(=O)(=O)CC)cc1 13610460 HUECAKPMLINSFR-UHFFFAOYSA-N 416.499 3.218 0 40 HGAB COc1ccccc1N1CCN(c2nc(C)c(Cc3ccccc3C)c(=O)[nH]2)CC1 13611445 NVAXNYOAGXQBHS-UHFFFAOYSA-N 404.514 3.313 0 40 HGAB C[C@@H](C(=O)NCCCN1CCCCCC1)N1c2cccc3cccc(c23)S1(=O)=O 13670172 FLEDTDDXXJYLCJ-KRWDZBQOSA-N 415.559 3.119 0 40 HGAB CCNC(=O)c1cc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)ccc1OC 13677797 DBDSLQOKBMYVCC-UHFFFAOYSA-N 402.394 3.265 0 40 HGAB CCN1CCn2c(nc3cc(NC(=O)c4cc(OC)c(OC)c(OC)c4)ccc32)C1 13688891 SUCNCIQHTFTKRV-UHFFFAOYSA-N 410.474 3.150 0 40 HGAB COc1ccc(Cn2nnnc2S[C@H](C)C(=O)NCCC2=CCCCC2)cc1 16368942 BQDPZVIMOUVUGP-OAHLLOKOSA-N 401.536 3.217 0 40 HGAB O=C(CCCOc1ccc(Cl)cc1Cl)N1CCN(C(=O)[C@@H]2CCCO2)CC1 17090227 VZKGFHWQZZGFPZ-KRWDZBQOSA-N 415.317 3.002 0 40 HGAB Cc1ccccc1OCC(=O)NC(=S)Nc1sc2c(c1C(N)=O)CC[C@@H](C)C2 17091174 WIYYVVGQOHLPGO-LLVKDONJSA-N 417.556 3.172 0 40 HGAB C[C@@H](NC(=O)CN1CCN([C@H](c2ccccc2)c2nccn2C)CC1)c1ccccc1 19459469 ZORJNFKYLPPABE-HYBUGGRVSA-N 417.557 3.005 0 40 HGAB COc1ccc2c(c1)c(C[C@@H](C)NC(=O)c1cc(C)nc3c1c(C)nn3C)cn2C 19716319 YEQBMJXUNCAGGQ-CYBMUJFWSA-N 405.502 3.446 0 40 HGAB O=C([C@@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1)N1CCc2ccccc21 20491107 DWXISWTZNJAZJJ-OAQYLSRUSA-N 412.555 3.250 0 40 HGAB COc1ccc(CCNC(=O)C2CCN(C(=O)c3ccc(F)cc3F)CC2)cc1 21331192 CKZJWTXITPISSJ-UHFFFAOYSA-N 402.441 3.185 0 40 HGAB COc1ccc(-c2nnc(SCC(=O)Nc3cc(C)ccc3C)n2N)c(OC)c1 21576165 LHYYZPMADJJBBC-UHFFFAOYSA-N 413.503 3.024 0 40 HGAB CCS(=O)(=O)N(C)c1cc(OC)c(OC)cc1C(=O)Nc1c(F)cccc1F 22252734 RXJKLZVZZSJULM-UHFFFAOYSA-N 414.430 3.020 0 40 HGAB CCOc1ccc([C@@H](C)NC(=O)CN(c2ccccc2CC)S(C)(=O)=O)cc1 22523297 QOJHKONHAPNVFV-MRXNPFEDSA-N 404.532 3.291 0 40 HGAB COc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H](C)c2cc(C)c(C)cc2C)cc1C 22536121 GIJSUXQNAKVRFR-GOSISDBHSA-N 418.559 3.427 0 40 HGAB CCOc1ccc(C(=O)N2CCN(Cc3ccc(OC)c(F)c3)CC2)cc1OC 25199769 KNIRXMWEBZJJBD-UHFFFAOYSA-N 402.466 3.200 0 40 HGAB COc1cc(CCNC(=O)[C@@H]2CCCN(C(=O)c3ccoc3)C2)ccc1OC(F)F 28440493 MESZFKRFZKABRU-OAHLLOKOSA-N 422.428 3.101 0 40 HGAB COc1cccc([C@H](CNC(=O)c2cc3c(C)nn(C)c3nc2C)N2CCCC2)c1 29749662 FHBSDXIQHLMYNU-NRFANRHFSA-N 407.518 3.161 0 40 HGAB COc1ccc([C@@H](CNC(=O)c2ccccc2OC(F)F)N2CCOCC2)cc1 29901080 HEMKQIYHHZRVDU-GOSISDBHSA-N 406.429 3.100 0 40 HGAB Cc1ccc2cc(COC(=O)CCn3nnc4ccccc4c3=O)c(Cl)nc2c1 31643726 OVRJQJMDLOTLNA-UHFFFAOYSA-N 408.845 3.435 0 40 HGAB COc1ccc(-c2csc(NC(=O)[C@H]3CS[C@@]4(C)CCC(=O)N34)n2)cc1F 32738449 IBLGVTODGMXQPC-ACJLOTCBSA-N 407.492 3.350 0 40 HGAB COC(=O)c1ccc(C)c(S(=O)(=O)N2CCC[C@H]2c2ccc(OC)c(OC)c2)c1 32770749 IIFTUPLFFJGHNE-KRWDZBQOSA-N 419.499 3.325 0 40 HGAB O=C(NCc1ccc(F)cc1)c1cc(-c2cccs2)n([C@H]2CCS(=O)(=O)C2)n1 33325356 IHGISMSPDHGHHV-HNNXBMFYSA-N 419.503 3.040 0 40 HGAB COc1ccc(-n2cnc3cc(C(=O)NCc4cccnc4)ccc3c2=O)cc1Cl 36356912 FIQCBSAJWGIRKV-UHFFFAOYSA-N 420.856 3.373 0 40 HGAB COc1ccc(-n2nnc(C(=O)NCc3ccccc3OC)c2-c2cccnc2)cc1 38487695 YSDLXJOLKQRIHU-UHFFFAOYSA-N 415.453 3.277 0 40 HGAB CCOC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(N3CCCC3=O)c(C)c2)c1 38755583 UNKAZPZUDCDRPQ-UHFFFAOYSA-N 416.499 3.408 0 40 HGAB Cc1nc(COc2ccc(C(=O)N[C@H](CN3CCCC3=O)c3ccccc3)cc2)no1 40122157 PLJSCTXYWKQNRE-HXUWFJFHSA-N 420.469 3.051 0 40 HGAB O=C(CCCc1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 40140753 HUOQHUIIEQEABI-UHFFFAOYSA-N 424.925 3.335 0 40 HGAB COC(=O)C[C@H](NC(=O)c1cnn2c(-c3ccccc3)ccnc12)c1ccccc1 40144791 PBVBAOYKQXAIIY-IBGZPJMESA-N 400.438 3.431 0 40 HGAB Cc1ccc(-c2ccc(=O)n(CCC(=O)N3CCC(N4CCCCC4)CC3)n2)cc1 41252806 FKHKKFPBRGRJCZ-UHFFFAOYSA-N 408.546 3.086 0 40 HGAB COc1cc(CNC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)cc(OC)c1OC 44917535 AAPVBLWJLXBJGX-SFHVURJKSA-N 416.493 3.380 0 40 HGAB CC(C)(C)c1ccc2c(c1)C(C[C@H]1CN(S(C)(=O)=O)CC[C@H]1CC(=O)O)=NCC2 49590570 AQMHXQACJZFPND-IRXDYDNUSA-N 420.575 3.092 0 40 HGAB biogenic,in-vitro Cc1ccc(Cl)cc1NC(=O)Cn1c(=O)n(CC(C)C)c(=O)c2sccc21 57486056 DIVSUQGRMPBBOA-UHFFFAOYSA-N 405.907 3.481 0 40 HGAB CCOc1ccc(OCC)c(NC(=O)CN2CCN(c3ccc(F)cc3)CC2)c1 57711590 GATFOSDODKMYNB-UHFFFAOYSA-N 401.482 3.384 0 40 HGAB CCCCO[C@H](C)C(=O)Nc1ccc(OCC)c(S(=O)(=O)N(CC)CC)c1 57991490 DOTPYRDFVUXOND-OAHLLOKOSA-N 400.541 3.260 0 40 HGAB CCOC(=O)c1ccc(NC(=O)[C@H]2C[C@H]3CCCN3[C@]23C(=O)Nc2ccccc23)cc1 57992090 RKQZVYFIUMOCFC-YJLYGGOZSA-N 419.481 3.134 0 40 HGAB Cc1ccc(C(=O)O)cc1S(=O)(=O)Nc1ccn(Cc2cccc3cccnc23)n1 58300302 FIBFNRXUTMYJHG-UHFFFAOYSA-N 422.466 3.287 0 40 HGAB Cc1c(F)cccc1NC(=O)CN1N=C(c2nc(-c3ccccc3)no2)CCC1=O 72329647 RHFOSLSMGGORFO-UHFFFAOYSA-N 407.405 3.149 0 40 HGAB CN1CCN(c2ncc(-c3cccnc3)c([C@@H]3CCCN(C(=O)C(C)(C)C)C3)n2)CC1 72347985 XJNGRWMKAPKBBT-LJQANCHMSA-N 422.577 3.043 0 40 HGAB Cc1cc(-c2cnc(N)nc2)cc([C@H]2CCCN(C(=O)Cc3csc(C)n3)C2)n1 72353686 MVANVCUQCULNGN-HNNXBMFYSA-N 408.531 3.143 0 40 HGAB Cc1oc2nc(CN3CCC(NC(=O)NC4CCCCC4)CC3)nc(N)c2c1C 84061845 XKSIXKJZDFJDBU-UHFFFAOYSA-N 400.527 3.018 0 40 HGAB CCN(Cc1ccc2c(c1)OCO2)Cc1nc2cc(S(=O)(=O)CC)ccc2o1 84777507 NODOCVBEBUBNIX-UHFFFAOYSA-N 402.472 3.372 0 40 HGAB Cc1ccc(-n2nc(C(=O)N(C)Cc3nc(C(F)(F)F)no3)c3c2CCC3)cc1 95448370 FRJWTAPHSHNBDX-UHFFFAOYSA-N 405.380 3.343 0 40 HGAB CCS(=O)(=O)c1ccc(CC(=O)OC2CCN(c3ccc(Cl)cn3)CC2)cc1 95960079 NYUMKGMKJDIEJY-UHFFFAOYSA-N 422.934 3.283 0 40 HGAB CCCS(=O)(=O)N1Cc2ccccc2C2(CCN(Cc3cccc(C)n3)CC2)C1 96079615 VNEXUYPLEOVASX-UHFFFAOYSA-N 413.587 3.479 0 40 HGAB CC(C)S(=O)(=O)c1ccc(CC(=O)NCCn2ccc(-c3cccs3)n2)cc1 96103854 MDXLSYXJNZVNKV-UHFFFAOYSA-N 417.556 3.153 0 40 HGAB O=C(NC[C@H]1Cn2c(-c3ccc4c(c3)OCCO4)cnc2CO1)Nc1ccccc1 96296410 NZCSOOAZOXDEJI-KRWDZBQOSA-N 406.442 3.042 0 40 HGAB biogenic,in-vitro COc1ccc2cc(CN3[C@H]4CC[C@H]3CC(O)(Cn3nc(C)ccc3=O)C4)ccc2c1 100737828 ONFCNHWFVJAMHU-VXKWHMMOSA-N 419.525 3.272 0 40 HGAB COc1cc2c(cc1OC)CN([C@H]1CC(=O)N(c3cccc(Cl)c3C)C1=O)CC2 102332204 NVDKPSOQHMOHRC-SFHVURJKSA-N 414.889 3.356 0 40 HGAB Cc1ccc(-c2csc3ncn(CCC(=O)N4C[C@@H]5CC[C@H](O)[C@H]5C4)c(=O)c23)cc1 108391263 UEOIIOYKZDKASL-LNLFQRSKSA-N 423.538 3.053 0 40 HGAB CCCCNC(=O)c1ccccc1NC(=O)c1ccc(N(C)S(C)(=O)=O)c(C)c1 222476663 OYUWVFNHTZOSJL-UHFFFAOYSA-N 417.531 3.173 0 40 HGAB Cc1ccc(N(CC(=O)Nc2nnc(-c3ccccc3)s2)S(C)(=O)=O)c(C)c1 223291644 AIMAUSSKHKULIN-UHFFFAOYSA-N 416.528 3.227 0 40 HGAB COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3)cc1OC 223693547 SEVVNTCANDCEPN-REWYHUOISA-N 410.470 3.373 0 40 HGAB Cc1ccccc1OCCNC(=O)[C@@H](C)N(c1cc(Cl)ccc1C)S(C)(=O)=O 224044703 IZLDRTFXCQQKTF-MRXNPFEDSA-N 424.950 3.307 0 40 HGAB CCN(c1cc(OC)c(OC)cc1C(=O)OC)S(=O)(=O)c1ccc(Cl)cc1 224722292 JDIPCFPVSLZZHP-UHFFFAOYSA-N 413.879 3.359 0 40 HGAB Cc1ccc(CCCNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)cc1 225533674 IKLJXYNVRQXCBN-IBGZPJMESA-N 418.534 3.284 0 40 HGAB COc1cccc(N(C)C(=O)Cn2ccc(=O)c3cc(Br)ccc32)c1 225919494 BOBRTFOJIUYIRP-UHFFFAOYSA-N 401.260 3.436 0 40 HGAB COc1ccc2cc(C(=O)N3CCN(C/C=C/c4ccccc4)CC3)c(=O)oc2c1 226043576 WLCBEPMSUNIPJP-VMPITWQZSA-N 404.466 3.273 0 40 HGAB O=S(=O)(NCC1CCN(C2CCSCC2)CC1)c1cccc2cccnc12 253394024 WLEDIRYEMMEEFK-UHFFFAOYSA-N 405.589 3.121 0 40 HGAB C[C@@H](CCC(=O)O)[C@@H]1CC[C@@H]2[C@@H]3[C@H](C[C@H](O)[C@]12C)[C@@]1(C)CC[C@@H](O)C[C@@H]1C[C@H]3O 253536099 BHQCQFFYRZLCQQ-BSQRHNNOSA-N 408.579 3.449 0 40 HGAB CN(CC(=O)N1CCC[C@H](c2ncc(Cc3ccccc3)o2)C1)Cc1cccnc1 257315065 UZTNHDJRWMHRTD-NRFANRHFSA-N 404.514 3.498 0 40 HGAB CCCN(CC)C(=O)c1nc(-c2ccnn2-c2cccc(OC)c2)n2ccncc12 306138914 SKPNNFLXJBFMPE-UHFFFAOYSA-N 404.474 3.463 0 40 HGAB O=C(c1ccncc1)N1CCN(c2cnn3ccc(-c4ccc(F)cc4)cc23)CC1 306138992 SMONGZSLKQTYFZ-UHFFFAOYSA-N 401.445 3.498 0 40 HGAB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NCCC(C)C)C1CCCCC1 408617579 BTUWULQQMSUSHL-UHFFFAOYSA-N 410.580 3.489 0 40 HGAB Cc1cccc(CNC(=O)c2ccccc2NC(=O)C(=O)NCc2ccccc2)c1 408709991 KKJLEWLCFZBSGZ-UHFFFAOYSA-N 401.466 3.180 0 40 HGAB O=C(c1cnc(O)c2ccccc12)N1CCCN(c2nnc(C(F)(F)F)s2)CC1 527302757 UHJWMZCZLLYQPS-UHFFFAOYSA-N 423.420 3.163 0 40 HGAB O=C(C1CCN(c2ccc3nncn3n2)CC1)N1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 553295725 PNEYXDAJBNKXOD-HBMCJLEFSA-N 416.529 3.135 0 40 HGAB O=C(c1ccc(F)cc1Cl)N1CC[C@H](Oc2ncc(Br)cn2)C1 585147189 WJADEDAOIRAXGG-NSHDSACASA-N 400.635 3.325 0 40 HGAB Cc1ccc(Cl)cc1N1CC[C@H](CNS(=O)(=O)c2c[nH]c3ncccc23)C1 604055830 RDOBMIGVULSAOE-CQSZACIVSA-N 404.923 3.330 0 40 HGAB COc1ccc(-c2oc3c(=O)cc(C)oc3c2CC(=O)N[C@@H]2CCSC2=O)cc1 604405593 RJYZYDUTHZUOOU-OAHLLOKOSA-N 413.451 3.061 0 40 HGAB biogenic O=C(c1cccc(Nc2ncccn2)c1)N1CCN(c2ncnc3ccsc23)CC1 607667032 CVCSSYARHXLABF-UHFFFAOYSA-N 417.498 3.187 0 40 HGAB CN1C(=O)COc2ccccc2CCCC[C@@H]2[C@H]1CCCN2C(=O)c1cncs1 643251079 VSRXGMSKQXELCS-QZTJIDSGSA-N 413.543 3.380 0 40 HGAB Cc1cnc(C(=O)N2CCC[C@@H]3NC(=O)c4ccccc4OCCCCC[C@@H]32)cn1 1848354624 ZHUILEHOWGPERM-ICSRJNTNSA-N 408.502 3.141 0 40 HGAB CC(=O)c1cccc(NC(=O)Cn2nnc(-c3ccc(NC(=O)CC(C)C)cc3)n2)c1 1339649 ZAOPPOCQRKYWJY-UHFFFAOYSA-N 420.473 3.166 0 40 HGAB COC[C@@H](C)OC(=O)c1c(N)n(-c2ccc(OC)cc2)c2nc3ccccc3nc12 2219384 SSSXDICOCWMRNG-CYBMUJFWSA-N 406.442 3.356 0 40 HGAB CCCOc1ccc(-c2nc3s/c(=C\c4ccc(OC(C)=O)cc4)c(=O)n3n2)cc1 2262728 LGWHNROWYQYCNQ-UYRXBGFRSA-N 421.478 3.080 0 40 HGAB O=c1/c(=C/c2ccc(Br)cc2)sc2nc(-c3ccc(F)cc3)nn12 2388264 JWTCPJAFVCKSSR-ZROIWOOFSA-N 402.248 3.267 0 40 HGAB CS(=O)(=O)c1ccc(Cl)c(NC(=O)CSc2nncn2-c2ccccc2)c1 2618482 PPVWFMCPOXCVEQ-UHFFFAOYSA-N 422.919 3.055 0 40 HGAB CC(C)[C@H](Sc1nnc(-c2cccs2)n1-c1ccccc1)C(=O)NC(N)=O 3325447 VDQXVQSZRXSSTC-AWEZNQCLSA-N 401.517 3.307 0 40 HGAB COc1cccc(Nc2nnc(SCC(=O)NC(=O)NCc3ccco3)s2)c1 3439472 DDCIHERBXQXTBV-UHFFFAOYSA-N 419.488 3.001 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CSc3ccc(Cl)cc3)CC2)cc1 3523599 HYGSVWDEULCQSZ-UHFFFAOYSA-N 424.975 3.274 0 40 HGAB CN(C)CC(C)(C)CNC(=O)C1CCN(Cc2cccc(Br)c2)CC1 4435086 LDQNQUKUIUTYEN-UHFFFAOYSA-N 410.400 3.365 0 40 HGAB C[C@@H](CCc1ccccc1)NC(=O)COC(=O)C[C@H]1Sc2ccccc2NC1=O 4546859 DEDIPKKLJKANPM-HNAYVOBHSA-N 412.511 3.170 0 40 HGAB Cc1ccc(C(=O)N(Cc2cc3cc(C)ccc3[nH]c2=O)C[C@@H]2COCCO2)cc1 4860950 OTQUFMMXEZEJBP-OAQYLSRUSA-N 406.482 3.203 0 40 HGAB COc1ccc(-c2noc(CN(C)C(=O)c3cc(OC)c(OC)c(OC)c3)n2)cc1 4943720 QDSAUIMSKIOOJU-UHFFFAOYSA-N 413.430 3.043 0 40 HGAB CCN(CC)S(=O)(=O)c1cc(NC(=O)c2ccc(OC)c(OC)c2)ccc1C 5443711 RQSLOUHOMUSGJH-UHFFFAOYSA-N 406.504 3.295 0 40 HGAB O=C(Cn1cnc2scc(-c3ccc(F)cc3)c2c1=O)NC(=O)NC1CCCC1 6087573 YKVPHMGEAOSYFR-UHFFFAOYSA-N 414.462 3.033 0 40 HGAB CN(c1ccc(OCC(=O)Nc2ccncc2)cc1)S(=O)(=O)c1ccc(F)cc1 6167897 LUEPWNBEDPFSMR-UHFFFAOYSA-N 415.446 3.063 0 40 HGAB CCC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)N2CCCCC2)cc1Cl 6204783 KPWXXEXQFVUENO-CQSZACIVSA-N 402.944 3.198 0 40 HGAB CN(C)CCNC(=O)[C@@H]1CS[C@H](c2ccc(Cl)cc2)N1C(=O)OC(C)(C)C 6363854 BDCTYTCNIRVWSR-DOTOQJQBSA-N 413.971 3.369 0 40 HGAB CCCN(CC(=O)Nc1ccc(F)c(F)c1F)Cc1cc(=O)n2cc(C)ccc2n1 6580521 WHQBLNWBEHWEEI-UHFFFAOYSA-N 418.419 3.271 0 40 HGAB O=C(/C=C/c1ccc2ccccc2n1)N(Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 6648634 CGIGSGJSEYZBLS-IWGBCORSSA-N 406.507 3.464 0 40 HGAB CCOc1ccccc1NC(=O)CNS(=O)(=O)c1cc(Cl)ccc1Cl 7066359 XIHOVWGCRULOEP-UHFFFAOYSA-N 403.287 3.309 0 40 HGAB CCc1ccccc1NC(=O)CNC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1 7979521 PMAQRNWMDGSYRZ-OUKQBFOZSA-N 419.525 3.256 0 40 HGAB Cc1ccc(NS(=O)(=O)c2ccc(C3CCCCC3)cc2)cc1S(N)(=O)=O 8111138 FHBZLZLOXLOSOK-UHFFFAOYSA-N 408.545 3.491 0 40 HGAB COc1ccc2c(C)c(CC(=O)Nc3cc(OC)c(OC)c(OC)c3)c(=O)oc2c1 9575868 PGSGYJPTOYBCDG-UHFFFAOYSA-N 413.426 3.317 0 40 HGAB O=C(Nc1nc(-c2ccc(I)cc2)cs1)C1=COCCO1 9640009 JJLOTGXQSMVBQI-UHFFFAOYSA-N 414.224 3.241 0 40 HGAB COc1ccc(S(=O)(=O)CCC(=O)Nc2nc3c(OC)ccc(C)c3s2)cc1 10219533 KQUQDMQRFDZGCA-UHFFFAOYSA-N 420.512 3.424 0 40 HGAB Cc1cc(C)n(-c2ccc(SCC(=O)N3c4ccccc4NC(=O)C3(C)C)nn2)n1 11140091 QPKGBCBOZTXEFX-UHFFFAOYSA-N 422.514 3.135 0 40 HGAB Cc1cc(C)n(-c2ccc(SCC(=O)N3c4ccccc4NC(=O)C[C@H]3C)nn2)n1 11140835 GUYAFLDTOVBRRN-CQSZACIVSA-N 422.514 3.135 0 40 HGAB Cc1cc(C)n(-c2nc(NCCC(=O)O)c3c4c(sc3n2)COC(C)(C)C4)n1 12322202 QWQSDYLXRPLECI-UHFFFAOYSA-N 401.492 3.232 0 40 HGAB COc1ccc(CCNC(=O)[C@@H]2CCCN2C(=O)Nc2ccc(F)cc2)cc1OC 12480734 DYXCMNPBGSOMHC-SFHVURJKSA-N 415.465 3.198 0 40 HGAB CCc1ccc(NCC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 12768905 ARRJAQSDKBGCBU-UHFFFAOYSA-N 401.532 3.474 0 40 HGAB CCOC(=O)C1CCN(C(=O)[C@@H](C)OC(=O)c2oc3ccc(OC)cc3c2C)CC1 12798369 HIGDIDHEBROPRW-CQSZACIVSA-N 417.458 3.097 0 40 HGAB COc1cccc(NC(=O)[C@@H](C)OC(=O)CCCNC(=O)c2ccc(Cl)cc2)c1 13000572 ACVXRZGBYCHEAE-CQSZACIVSA-N 418.877 3.429 0 40 HGAB Cc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@@H]3[C@@H]3CCCN32)cc1 13554915 CEAHITVAIUOWIK-NMLBUPMWSA-N 408.885 3.484 0 40 HGAB CC(=O)c1ccc(N2C(=O)[C@H]3[C@@H]4C[C@@H]([C@H]5C(c6ccc(C)cc6)=NO[C@@H]45)[C@H]3C2=O)cc1 13725449 LIHHUAIRASNQRP-OJMNFPMESA-N 414.461 3.372 0 40 HGAB Cc1ccc(NC(=O)[C@H]2CCCN2C2=NS(=O)(=O)c3ccccc32)c(Cl)c1 14200119 MMDIHAUPBCEFDJ-MRXNPFEDSA-N 403.891 3.200 0 40 HGAB NS(=O)(=O)c1cccc(NC(=O)c2ccc3c(c2)C[C@@H](c2ccccc2)OC3=O)c1 15630061 SUOCKTUZKYKOBZ-FQEVSTJZSA-N 422.462 3.041 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC[C@@H](c3nc(C)n4ccsc34)C2)cc1F 19240789 YKPIRORTCPLZRE-CYBMUJFWSA-N 409.508 3.420 0 40 HGAB O=C(NCc1ccccn1)[C@@H]1CN(Cc2ccccc2)C[C@H]1C(=O)c1ccc(F)cc1 19372579 JZTAGQODXMPPGU-DHIUTWEWSA-N 417.484 3.468 0 40 HGAB C[C@@H]1C[C@H]1C(=O)N1CCC[C@@](Cc2ccccc2-c2cncnc2)(C(=O)N(C)C)C1 19463111 CKUBDGHBHQBENN-JKHABCDFSA-N 406.530 3.039 0 40 HGAB O=C(C[C@H]1C(=O)N(C[C@@H]2CCCO2)c2nc3ccccc3n21)Nc1ccc(F)cc1 20103480 AEJFEVDVBWPYAD-LPHOPBHVSA-N 408.433 3.271 0 40 HGAB COc1ccc([C@H](C)NC(=O)C2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1 20458667 IEUORSYTFJTRCH-KRWDZBQOSA-N 416.543 3.114 0 40 HGAB CCCSc1nc(N2CCN(CCO)CC2)c2sc3c(c2n1)COC(C)(C)C3 20591430 ZDTKJEWHVQGMSS-UHFFFAOYSA-N 422.620 3.159 0 40 HGAB CCOC(=O)c1cn(CC(=O)Nc2ccc(F)c(Cl)c2)c2nc(C)ccc2c1=O 20986464 HXVJKXHKQLCKRS-UHFFFAOYSA-N 417.824 3.313 0 40 HGAB CSCC[C@@H](C(=O)Nc1cccc2cccnc12)N1C(=O)[C@H]2CCCC[C@H]2C1=O 21676054 IFRZJLDLUSVSHH-JZXOWHBKSA-N 411.527 3.470 0 40 HGAB CCN(CC(=O)Nc1ccccc1C(F)(F)F)S(=O)(=O)N1CCCCCC1 22239920 MSKJMQVYALHLHM-UHFFFAOYSA-N 407.458 3.087 0 40 HGAB NC(=O)COc1ccccc1C(=O)Nc1ccnn1Cc1cccc(Cl)c1Cl 24511698 PNUQDXHAJBLGOX-UHFFFAOYSA-N 419.268 3.355 0 40 HGAB COc1cccc([C@H](CN2C(=O)[C@H](C)NC2=S)c2c[nH]c3ccccc23)c1OC 27401081 JXBKROFAAGTCJX-GUYCJALGSA-N 409.511 3.422 0 40 HGAB CC(C)[C@H](CNC(=O)CCc1nc(-c2ccccn2)no1)N1CCc2ccccc2C1 30637593 BJHVXGXFFRVLKM-NRFANRHFSA-N 419.529 3.263 0 40 HGAB Cc1nc(C(=O)NC[C@@H](c2cccc(F)c2)N(C)C)nn1-c1ccc(Cl)cc1 32729819 BLZXOUWZDNKXOQ-SFHVURJKSA-N 401.873 3.401 0 40 HGAB COC(=O)c1c(NC(=O)[C@@H]2CC(=O)N(c3cccc(OC)c3)C2)sc(C)c1C 32759947 KZRIFGSLYGENQT-CYBMUJFWSA-N 402.472 3.152 0 40 HGAB Cc1ccc(N2C[C@H](C(=O)N3CCC(C(=O)c4ccc(O)cc4)CC3)CC2=O)cc1F 32903347 GRTLMWKTOYNDBF-GOSISDBHSA-N 424.472 3.314 0 40 HGAB CC(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@@H](c2ccccc2)N(C)C)c1 33028907 XLMIKBBKDPILFR-IBGZPJMESA-N 423.966 3.059 0 40 HGAB O=C1C[C@@H](C(=O)N(C2CCCC2)[C@@H](C(=O)NC2CCCC2)c2ccccn2)CS1 35314026 BUPRPMDQYJWFGE-FOIQADDNSA-N 415.559 3.232 0 40 HGAB CCn1ccc(CN(C)C(=O)c2cc(-c3ccc(OC)cc3)nc3c2c(C)nn3C)n1 36613381 DFHUPFAJORMBGX-UHFFFAOYSA-N 418.501 3.441 0 40 HGAB COc1ccc(-c2cc(C(=O)N(C)Cc3cn(C)nc3C)c3c(C)nn(C)c3n2)cc1 36615818 ZIHOBRARKDDXIX-UHFFFAOYSA-N 418.501 3.266 0 40 HGAB Cc1nc(N2CCOCC2)sc1C(=O)NCc1cc(Cl)c2c(c1)OCCCO2 36752364 JCRZSGVTTSLDNP-UHFFFAOYSA-N 423.922 3.033 0 40 HGAB COc1ccc(Br)cc1CN(C)S(=O)(=O)N1C[C@@H](C)C[C@H](C)C1 37449077 JVZJDOGNOFKSAB-STQMWFEESA-N 405.358 3.112 0 40 HGAB Cc1nc(C(=O)N2CCC[C@H]2c2nnc3n2CCCCC3)nn1-c1ccc(F)cc1 40080302 DUHXCTGEYSRUCI-KRWDZBQOSA-N 409.469 3.010 0 40 HGAB CCN(CC)C(=O)CN1CCCN(C(=O)Nc2cccc(C(F)(F)F)c2)CC1 40096081 XTYXVCGRRKBEIV-UHFFFAOYSA-N 400.445 3.113 0 40 HGAB Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)N(C)C3CCCC3)Oc3ccccc32)cc1 44902988 OQDZSUUDTGHNRN-NRFANRHFSA-N 414.527 3.352 0 40 HGAB Cc1oc(C(=O)Nc2nc3c(s2)CCCCC3)cc1S(=O)(=O)N1CCCC1 48236088 ZRULAYBHOVADEW-UHFFFAOYSA-N 409.533 3.350 0 40 HGAB O=C(Nc1ccccc1CN1CCOCC1)N[C@H](CN1CCCC1=O)c1ccccc1 48314248 CEYVFKHELZTPAH-JOCHJYFZSA-N 422.529 3.004 0 40 HGAB Cc1cc(C(=O)NC2CCCCC2)ccc1NC(=O)N[C@@H](C)CN1CCCC1=O 48373951 ZQGCQJRHDPETGI-INIZCTEOSA-N 400.523 3.190 0 40 HGAB COC(=O)[C@@H](C)OC(=O)c1c[nH]c2cc(Br)c(Br)cc12 65491132 QPSCNXKMHZGKDQ-ZCFIWIBFSA-N 405.042 3.411 0 40 HGAB Cc1cc(Br)cc(C)c1NC(=O)N1CCC(C(=O)N2CCOCC2)CC1 78550084 KPRAYUGFACNAGD-UHFFFAOYSA-N 424.339 3.169 0 40 HGAB CC[C@@H](CO)NC(=O)c1cnc(-c2noc3cc(N4CCCCC4)ccc23)s1 96154641 PNEMSVUAGIQBMG-ZDUSSCGKSA-N 400.504 3.442 0 40 HGAB COc1ccc(-c2noc(C(=O)O)c2[C@@H](C)NC(=O)c2ccc3c(c2)OCO3)cc1 96296825 IWYCXONRZRYXJS-LLVKDONJSA-N 410.382 3.268 0 40 HGAB biogenic,in-vitro C[C@H](C[C@@H]1COCCN1C(=O)OC(C)(C)C)NCc1ccccc1-n1ccnc1 97162372 LPPXRIXULZMQGG-IEBWSBKVSA-N 400.523 3.376 0 40 HGAB CC(=O)C1C(=O)[C@@H]2[C@H](C1=O)[C@]1(Cl)C(Cl)=C(Cl)[C@]2(Cl)C1(Cl)Cl 100709127 XNWBXIRIABZIIO-XIJCPECHSA-N 410.895 3.421 0 40 HGAB O=C(NCCn1ccn2nc(-c3ccco3)cc12)C1(c2ccccc2)CCOCC1 206750416 UGLIUWRUVPPZKK-UHFFFAOYSA-N 404.470 3.260 0 40 HGAB COC(=O)[C@@H]1C[C@H](Oc2ccccc2F)CN1C(=O)c1ccccc1Br 206802433 GIUQQZBFNZTWCQ-LRDDRELGSA-N 422.250 3.423 0 40 HGAB COc1ccc(CCNc2ccc(C(=O)O)cc2S(=O)(=O)NC(C)(C)C)cc1 217434260 XBWLVULPSWETIC-UHFFFAOYSA-N 406.504 3.125 0 40 HGAB O=C(O)c1ccc(NCCC2=CCCCC2)c(S(=O)(=O)NC[C@@H]2CCCO2)c1 217498229 FKZYFADFFNMDIG-KRWDZBQOSA-N 408.520 3.145 0 40 HGAB C[C@@H](Nc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1C(=O)O)c1ccccc1 217632741 LKFHLJOOMPWPDT-GDBMZVCRSA-N 404.488 3.015 0 40 HGAB CN(C)CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1Cc1ccco1 223219913 NZQPCMQPODGIQO-SFTDATJTSA-N 409.559 3.449 0 40 HGAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1cccnc1 223607963 WXAOFOZAAIPMQA-LEWJYISDSA-N 407.543 3.239 0 40 HGAB CS(=O)(=O)N(CC(=O)NCCc1ccc(Cl)cc1)c1ccc(F)c(Cl)c1 223872235 WDLRRLMJPJOTFR-UHFFFAOYSA-N 419.305 3.257 0 40 HGAB COC(=O)c1ccc(C)c(NC(=S)NCc2ccc(OC)c(OC)c2OC)c1 225526148 JCHBXAHYJRAZFL-UHFFFAOYSA-N 404.488 3.294 0 40 HGAB COc1ccc(N(C)C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)cc1 226077130 ZYBMAZQIFXIJMC-QGZVFWFLSA-N 402.516 3.067 0 40 HGAB O=S(=O)(NC[C@@H](c1ccco1)N1CCSCC1)c1ccc(F)c(Cl)c1 253399100 ILGZUBCJFNVRCR-HNNXBMFYSA-N 404.916 3.141 0 40 HGAB O=C(O)c1ccc(-c2ccc(/C=N/N3C(=O)[C@@H]4[C@H]5C=C[C@@H]([C@@H]6C[C@@H]56)[C@H]4C3=O)o2)cc1 253577849 XOMOWQNKHCBBLX-DEOWJFDFSA-N 402.406 3.032 0 40 HGAB COc1cc(CCC(=O)NCc2ccc(-c3n[nH]cc3-c3ccncc3)cc2)on1 257242673 IDPOINIZZPKVNI-UHFFFAOYSA-N 403.442 3.384 0 40 HGAB O[C@@]1(COc2ccccc2)CCCN(Cc2cccc(OCCn3ccnc3)c2)C1 257328651 XGOPGAGAHXOODP-DEOSSOPVSA-N 407.514 3.368 0 40 HGAB COc1ccc(Cl)cc1N(CC(=O)NC[C@H](C)c1ccccc1)S(C)(=O)=O 260790430 DDUOTXCHGDMBPK-AWEZNQCLSA-N 410.923 3.035 0 40 HGAB Cc1cc(CN2CCC[C@@]3(CN(CCc4ccccc4)CC(F)(F)C3)C2=O)n(C)n1 306124568 BTRCRLOXUQDVGW-JOCHJYFZSA-N 416.516 3.421 0 40 HGAB O=C(CN1C(=O)S/C(=C/c2ccc(N3CCCCCC3)o2)C1=O)N1CCCC1 408550073 DGCFEHICTCMGKK-DTQAZKPQSA-N 403.504 3.319 0 40 HGAB O=C(CNC(=O)C(=O)Nc1ccc(Cl)c(Cl)c1)Nc1ccccc1Cl 408552756 NNMCKIQDCDOWRY-UHFFFAOYSA-N 400.649 3.340 0 40 HGAB CC(=O)Nc1ccc(NC(=O)CCCN(c2cc(C)ccc2C)S(C)(=O)=O)cc1 408705433 FSAALCAUIDKPEO-UHFFFAOYSA-N 417.531 3.447 0 40 HGAB CCOCCCNC(=O)c1ccc(N(Cc2ccc(C)cc2)S(C)(=O)=O)cc1 409113777 FLSKJHRELWOSPU-UHFFFAOYSA-N 404.532 3.118 0 40 HGAB COC(=O)c1cc(NC(=O)CN(c2ccc(C)cc2C)S(C)(=O)=O)ccc1Cl 409325061 WLFFGAWWLOBRJL-UHFFFAOYSA-N 424.906 3.148 0 40 HGAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCOCC3)ccc2Cl)cc1C 409382336 RZKQUGDXUCXZLC-UHFFFAOYSA-N 408.907 3.230 0 40 HGAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)NC[C@@H]3CCCO3)ccc2C)cc1C 409411173 FCPYRBUAFXMHFL-IBGZPJMESA-N 402.516 3.321 0 40 HGAB CC(C)(C)[C@H](NC(=O)NC(Cc1ccccc1F)Cc1ccccc1F)C(N)=O 539314828 PQCULMCOKSHGTJ-LJQANCHMSA-N 403.473 3.318 0 40 HGAB Cn1nccc1C(=O)N[C@@H]1c2ccccc2[C@@H]2CN(Cc3cc(F)ccc3F)C[C@H]12 585109776 SNWXXZMIWILTGS-CNNODRBYSA-N 408.452 3.399 0 40 HGAB Cc1cc(C(=O)N(CC2CC2)C[C@H]2CN(C)CCO2)nn1-c1ccccc1Cl 622535607 ALLOPLUXYDVZPD-QGZVFWFLSA-N 402.926 3.017 0 40 HGAB Cc1cc(C(=O)N2CCCCN(C)C(=O)c3cc(Cl)ccc3OCCC2)on1 643557927 ACIMTLMPWWSJKV-UHFFFAOYSA-N 405.882 3.414 0 40 HGAB Brc1cnc(N2CCC(COc3cc4c(nn3)CCCC4)CC2)nc1 1565522804 QZCBBRVZPVTDGI-UHFFFAOYSA-N 404.312 3.203 0 40 HGAB Cc1c(C(=O)N2CCC(COc3cc4c(nn3)CCC4)CC2)cnn1-c1ccccc1 1775967465 SPTDDRKZNBRDJE-UHFFFAOYSA-N 417.513 3.391 0 40 HGAB COc1ccc(C(C)(C)C)cc1N[C@H](C)C(=O)N1CCN(C(=O)c2ccco2)CC1 36394207 AZGVXEDQWLTUSG-MRXNPFEDSA-N 413.518 3.371 0 40 HGAB CCCc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3ccc(NC(C)=O)cc3)C2=O)cc1 7125933 YLZWHPJGPIGZFU-HSZRJFAPSA-N 422.485 3.003 0 40 HGAB CCOc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)cc1 791858 JDVDXFMBNSKXDM-KRWDZBQOSA-N 402.516 3.433 0 40 HGAB C[C@H]1CCC[C@H](C)N1C(=O)CSc1nnc(Cc2ccc3c(c2)OCO3)n1C 1325511 UDJCFNPHJWDUBZ-KBPBESRZSA-N 402.520 3.016 0 40 HGAB Cn1c(SCC(=O)N2CCc3ccccc32)nnc1[C@H]1COc2ccccc2O1 3447579 TWWLIMCDPZVJNM-GOSISDBHSA-N 408.483 3.009 0 40 HGAB CNC(=O)c1ccc(NC(=O)CCc2c(C)nc3c4ccccc4nn3c2C)cc1 11222784 UXMSYBJLIUDVRW-UHFFFAOYSA-N 401.470 3.430 0 40 HGAB CCN(CC)C(=O)c1ccc(NC(=O)COC(=O)c2ccc(Cl)cc2O)cc1 7200360 HGDDYCQUWXGKGV-UHFFFAOYSA-N 404.850 3.323 0 40 HGAB COC(=O)[C@H](CC(C)C)NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc(F)c(F)c1F 20734451 PYFMREOTJIPHOB-KSSFIOAISA-N 424.423 3.072 0 40 HGAB CCCc1nnc(NC(=O)c2ccc(N3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2)s1 100634425 QBMURMMHTCJFHE-MGBSGCIJSA-N 408.483 3.054 0 40 HGAB CCOc1ccccc1NC(=O)COC(=O)CCC(=O)Nc1ccc(C(C)=O)cc1 8416921 VJEUWFMIEDKDLR-UHFFFAOYSA-N 412.442 3.189 0 40 HGAB Cc1nnc(NC(=O)CCCC(=O)OCC(=O)Nc2cc(Cl)ccc2C)s1 8474568 YOERFONMSMYRLY-UHFFFAOYSA-N 410.883 3.099 0 40 HGAB Cc1ccccc1N1C(=O)CN(c2ccc(C(C)(C)C)cc2)[C@H]2CS(=O)(=O)C[C@H]21 11903797 XAKFXECOXVUNIJ-LEWJYISDSA-N 412.555 3.311 0 40 HGAB Cc1cc(S(=O)(=O)NCc2cccnc2)c(Br)cc1Br 54363038 XHOSVSUDRBQMPP-UHFFFAOYSA-N 420.126 3.394 0 40 HGAB COc1ccccc1[C@H]1C=C(C(=O)O)Nc2c(C(=O)Nc3cccc(F)c3)cnn21 102810808 MMXRPTMZHRTURM-QGZVFWFLSA-N 408.389 3.267 0 40 HGAB Cc1c(Br)c2ccccc2n1CC(=O)N[C@@H](C(N)=O)c1ccccc1 54000384 IRIYUNNXDXMTDS-GOSISDBHSA-N 400.276 3.055 0 40 HGAB CCn1cc(C(=O)OCc2cc(Cl)c3c(c2)OCO3)c(=O)c2ccc(C)nc21 60968829 JQMUSVMUMPFYKR-UHFFFAOYSA-N 400.818 3.464 0 40 HGAB CCn1c(CN[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)nc2cc(S(=O)(=O)N(C)C)ccc21 104811541 AARBYCJMFDHJKU-OVWQWFNUSA-N 404.580 3.221 0 40 HGAB CCC[C@@H](C)NC(=O)C1CCN(S(=O)(=O)Cc2c(F)cccc2Cl)CC1 24613233 MEHQPVVLGSCPMN-CYBMUJFWSA-N 404.935 3.326 0 40 HGAB O=C(CCc1nc2ccccc2c(=O)[nH]1)OCC(=O)c1cccc(Br)c1 12568768 CNYSQGQKYJNRDC-UHFFFAOYSA-N 415.243 3.044 0 40 HGAB CCc1ccccc1NC(=O)c1ccc(N2C(=O)[C@H](C)CS2(=O)=O)cc1Cl 15858402 OLSBSNYWHFCNNH-GFCCVEGCSA-N 406.891 3.467 0 40 HGAB COc1cc(OC)cc([C@@H](NC(=O)c2cnn(-c3ccccc3)c2)c2nccn2C)c1 24925401 LYWBIEHRKJPWGK-OAQYLSRUSA-N 417.469 3.142 0 40 HGAB CCOc1ccc(NC(=O)COC(=O)c2[nH]c(C)c(C(=O)OC)c2C)cc1OCC 22137923 DTDYACMMUVGWLE-UHFFFAOYSA-N 418.446 3.011 0 40 HGAB CC(C)[C@@H]1Cc2c(sc3nc(SCC(=O)NCc4ccco4)nc(N)c23)CO1 1767531 VYCKVWDIILFHNB-ZDUSSCGKSA-N 418.544 3.372 0 40 HGAB CCc1cc(=O)n(CC(=O)Nc2cc(OC)ccc2OC)c(-c2cccc(F)c2)n1 57508145 UHPLRASQUKUTQX-UHFFFAOYSA-N 411.433 3.268 0 40 HGAB CCOc1ccc(/C=C/C(=O)N2CCCN(C(=O)Cc3ccccc3OC)CC2)cc1 58179548 BYRHLYLGYYCMEN-SDNWHVSQSA-N 422.525 3.411 0 40 HGAB Cc1ccc(SCCNC(=O)CN(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1 20236760 CKBSVHCJNAMVPC-UHFFFAOYSA-N 406.573 3.286 0 40 HGAB O=C1N[C@]2(CCOc3ccccc32)C(=O)N1CCOc1cccc(Br)c1 3321169 OWACPZWFORMODQ-IBGZPJMESA-N 417.259 3.058 0 40 HGAB O=C(CSc1nnc(-c2c[nH]c3ccccc23)o1)NCc1ccc2c(c1)OCO2 3355056 CZOROJUNQBGPFL-UHFFFAOYSA-N 408.439 3.355 0 40 HGAB Cc1cccc(-c2nnc(SCC(=O)c3ccc(Cl)s3)n2CC(N)=O)c1 12796445 VILXRHSTXPYDHK-UHFFFAOYSA-N 406.920 3.429 0 40 HGAB O=C1CCCN1c1ccc(CNCc2ccc(OCCO)cc2Br)cc1 12796214 PYWHLIDVIJHILB-UHFFFAOYSA-N 419.319 3.237 0 40 HGAB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(O)c(Br)c2)C1=O 409013117 MNQGIOJYJSXSAB-LQGZHCLWSA-N 400.250 3.143 0 40 HGAB Cc1ccc(N2C(=O)N(C[C@H](O)COCc3ccccc3Cl)C(=O)[C@@H]2C)cc1 12984394 LHBQMCWDJIOOPB-YJBOKZPZSA-N 402.878 3.383 0 40 HGAB CNS(=O)(=O)c1ccc(C(=O)Nc2ccc(OC)c(Cc3ccccc3)c2)cc1 12983130 KAQUMBYYGSHHAH-UHFFFAOYSA-N 410.495 3.446 0 40 HGAB O=C(/C=C/c1ccc(F)cc1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 3517572 YRTKWVPZJOFMCR-XCVCLJGOSA-N 408.882 3.025 0 40 HGAB O=C(CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O)c1ccc(Br)cc1 3600829 YUWHWZXACFEEKW-FQEVSTJZSA-N 413.271 3.415 0 40 HGAB CCc1ccc(O[C@H](C)C(=O)N(Cc2ccccc2)[C@H]2CCS(=O)(=O)C2)cc1 4182894 QZTVWMAACNNMCT-XLIONFOSSA-N 401.528 3.232 0 40 HGAB Cn1nc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)c2ccccc2c1=O 8036477 SEYBPERUOMUNGB-GOSISDBHSA-N 405.454 3.072 0 40 HGAB COc1ccc(CCNC(=O)c2ccc3c(=O)n4c(nc3c2)CCCCC4)cc1OC 5140805 UDTDIOQIPUJXEO-UHFFFAOYSA-N 421.497 3.113 0 40 HGAB biogenic CCOC(=O)c1csc(N2N=C(c3ccccc3OC)C[C@@]2(O)C(F)(F)F)n1 4478272 NLVBNOBRXKSYNG-MRXNPFEDSA-N 415.393 3.194 0 40 HGAB COc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)ccc1OC(C)C 14011467 KWOOEGHNZAYJMG-WOJGMQOQSA-N 423.469 3.322 0 40 HGAB O=C(Cn1c2ccccc2c2nc3n(c(=O)c21)CCCS3)NCCc1ccccc1 5451846 RDEAYSVBTVJNSC-UHFFFAOYSA-N 418.522 3.206 0 40 HGAB COc1ccc(NC(C)=O)cc1NC(=O)CSc1nc2cc(Cl)cnc2[nH]1 5453529 DCKCPHCUSBPTKY-UHFFFAOYSA-N 405.867 3.309 0 40 HGAB CC(C)c1ccc([C@]2(C)NC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)cc1 6581130 MTJBTESBDDICSV-DEOSSOPVSA-N 405.498 3.162 0 40 HGAB COC(=O)c1ccc(N2CCN(C(C)=O)CC2)c(NC(=O)c2cc3ccccc3o2)c1 4705157 AHTJNMPFXDIYMA-UHFFFAOYSA-N 421.453 3.140 0 40 HGAB C[C@H]1Cc2ccccc2N1C(=O)COC(=O)C1CCN(C(=O)Nc2ccccc2)CC1 5970965 DMXNDKDWPNCZPY-KRWDZBQOSA-N 421.497 3.452 0 40 HGAB Cc1cc(C)c2c(-n3cccc3)c(C(=O)N3CCN(C(=O)C4CC4)CC3)sc2n1 8780385 ZLUORIOFRSZFLJ-UHFFFAOYSA-N 408.527 3.398 0 40 HGAB COc1cccc(N2CCN(CC(=O)Nc3nc4c(s3)C[C@@H](C)CC4)CC2)c1 18249579 DDJGQQSLFPBJAP-HNNXBMFYSA-N 400.548 3.037 0 40 HGAB c1cc2c(cc1-c1nnc(C3(c4ccc5c(c4)OCO5)CCOCC3)o1)OCCO2 71889803 JSBPDKYKTZWGCM-UHFFFAOYSA-N 408.410 3.333 0 40 HGAB Cc1nn(-c2ccccc2)c(C)c1CNC(=O)[C@H]1CCCN1C(=O)c1cccs1 8943854 LBXWWHCZUJUCLR-LJQANCHMSA-N 408.527 3.472 0 40 HGAB COC(=O)[C@@](NC(=O)c1ccc(C)cc1)(Nc1ccc(Cl)cn1)C(F)(F)F 19944266 SOPFSEBKCSGOCU-INIZCTEOSA-N 401.772 3.317 0 40 HGAB CCOc1ncccc1C(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 9313871 IBLWJZXZYDMUKG-UHFFFAOYSA-N 403.504 3.297 0 40 HGAB NS(=O)(=O)c1ccc(CCNCc2ccccc2OCc2ccc(F)cc2)cc1 19860437 FSGNEBCHSHLZSZ-UHFFFAOYSA-N 414.502 3.384 0 40 HGAB O=C(CSc1nc(C2CC2)n(-c2ccccc2)n1)NC[C@@H]1COc2ccccc2O1 9666869 WTVRNAOPRXNESC-QGZVFWFLSA-N 422.510 3.193 0 40 HGAB CC(C)(C)[C@@H](NC(=O)c1csc(-c2ccccc2)n1)c1nc(-c2nc[nH]n2)no1 89642951 FXGKEHCRPNZHER-ZDUSSCGKSA-N 409.475 3.495 0 40 HGAB O=C(Nc1ccc2[nH]c(C(F)F)nc2c1)c1ccc(N2CCCS2(=O)=O)cc1 89781083 HXSPCUQAKWCSPM-UHFFFAOYSA-N 406.414 3.293 0 40 HGAB COc1ccc(NC(=O)C2(NC(=O)Cc3cccc(F)c3)CCCC2)cc1OC 72310325 KKRHHZZZZWGFQP-UHFFFAOYSA-N 400.450 3.453 0 40 HGAB O=C1c2ccccc2N2C(=O)CC[C@]2(C(=O)N[C@H]2C=CCCC2)N1Cc1ccccc1 95939829 PLVGSXPZQYZQOR-DFBJGRDBSA-N 415.493 3.391 0 40 HGAB CCCCN(C)S(=O)(=O)c1ccc(NC(=O)c2cc(-c3ccncc3)on2)cc1 78623995 GRHSLQRHZLBYCM-UHFFFAOYSA-N 414.487 3.410 0 40 HGAB COc1ccc(-c2cc(C(=O)Nc3c(N(C)C)nc[nH]c3=O)c3ccccc3n2)cc1 79110669 REMLVRAGDMIONE-UHFFFAOYSA-N 415.453 3.312 0 40 HGAB COc1ccc(NS(=O)(=O)c2ccc(O[C@@H](C)C(=O)NCC(C)C)cc2)cc1 408601085 FDQCDGGAZMVSMQ-HNNXBMFYSA-N 406.504 3.036 0 40 HGAB CCc1ccccc1N(CC(=O)N[C@H](CC)c1ccc(OC)cc1)S(C)(=O)=O 20482708 FCGSAJYJMBQJCG-LJQANCHMSA-N 404.532 3.291 0 40 HGAB COc1cc(/C=C/C(=O)NCCO)ccc1OCc1ccc(Br)cc1 62715745 OXBKIMWBTJTPNH-WEVVVXLNSA-N 406.276 3.158 0 40 HGAB COCCN1CN(c2ccc(OC)cc2)c2nc(C)c(Cc3ccccc3)c(=O)n2C1 38829965 JQSGBSOKUNMMPZ-UHFFFAOYSA-N 420.513 3.166 0 40 HGAB CCOCCCNS(=O)(=O)c1ccc(OCC)c(NC(=O)c2ccccc2F)c1 408562026 XCCHKEGEUYWBSI-UHFFFAOYSA-N 424.494 3.182 0 40 HGAB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)Nc1cnn(CC(=O)NC2CCCC2)c1 521234940 HTYGHYAITXLESZ-AHRSYUTCSA-N 404.555 3.358 0 40 HGAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3c(OC)ccc4ccccc34)C2=O)o1 33732511 JTEOCKRBTMUMMA-BOPFTXTBSA-N 406.394 3.321 0 40 HGAB CCc1cccc(CC)c1NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(OC)c(OC)c1 33688951 QWYWTAMCKJNICY-CQSZACIVSA-N 420.531 3.134 0 40 HGAB NC(=O)c1cccc(-c2cnc(N)nc2[C@H]2CCCN2C(=O)c2ccc(Cl)cc2)c1 72354633 KXDVUOHVIUEANY-GOSISDBHSA-N 421.888 3.455 0 40 HGAB COc1ccc(-c2nc3s/c(=C/c4ccc(Br)cc4)c(=O)n3n2)cc1 33285067 RLVXOXLQQMZWSH-XNTDXEJSSA-N 414.284 3.137 0 40 HGAB O=C(NCCCn1ccnc1)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1 44841900 ZBIPHEBXSIBSRE-UHFFFAOYSA-N 418.906 3.157 0 40 HGAB CC(=O)N1CCCC[C@H]1c1nc2c(c(NCCOc3ccccc3C)n1)CCN(C)C2 72376590 WHGLZECSNIAWRC-NRFANRHFSA-N 423.561 3.337 0 40 HGAB COc1ccc(N(CCCC(=O)NCCc2ccc(Cl)cc2)S(C)(=O)=O)cc1 224694167 BATOXWRCKCRUTA-UHFFFAOYSA-N 424.950 3.254 0 40 HGAB C[C@@H](CCC(=O)O)[C@@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@]12C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O 43352176 BHQCQFFYRZLCQQ-QSUHHDIQSA-N 408.579 3.449 0 40 HGAB COc1ccc(N([C@H](C)C(=O)Nc2ccccc2Cl)S(C)(=O)=O)cc1OC 220225927 OTKNZMYJZXNJAW-GFCCVEGCSA-N 412.895 3.150 0 40 HGAB CNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CCCOc1ccc(OC)cc1 225431823 UAUDBQVXNRTOFX-INIZCTEOSA-N 402.466 3.157 0 40 HGAB Cc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2ccc(N(C)S(C)(=O)=O)cc2)cc1C 225711684 FPZVVFHVWVZPAQ-IAGOWNOFSA-N 404.532 3.344 0 40 HGAB COc1ccc(OC)c(NC(=O)Cn2ccc(=O)c3ccc(Br)cc32)c1 225740348 RTXHJSSQEKFCRB-UHFFFAOYSA-N 417.259 3.420 0 40 HGAB C[C@H](C(=O)NCCCO)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(Cl)cc1 222845678 FPFKWSUOKGYKPM-OAHLLOKOSA-N 423.340 3.452 0 40 HGAB COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccccc1 223696206 KQQIOOVSVPCLKP-RTWAWAEBSA-N 406.511 3.408 0 40 HGAB CC(C)C[C@H](NC(=O)COc1ccc(N(C)S(C)(=O)=O)cc1)c1ccccc1 223904204 VZDJYNZYJCZMQD-FQEVSTJZSA-N 404.532 3.365 0 40 HGAB COc1ccc(-c2cc(N3CCN(C(=O)c4cccc(N(C)C)c4)CC3)[nH]n2)cc1 98212522 AOOITDBIXQLEKP-UHFFFAOYSA-N 405.502 3.114 0 40 HGAB O=S(=O)(NC[C@H]1COCc2nc3cc(C(F)(F)F)ccc3n21)c1ccccc1 96112479 VCSJGVXYFZLNFM-ZDUSSCGKSA-N 411.405 3.105 0 40 HGAB biogenic,in-vitro COCCN(C)C(=O)[C@@H]1C[C@@]2(CO1)CN(Cc1ccc(F)cc1F)c1ccccc12 96143991 SUIIDKOBPDSMTD-GMAHTHKFSA-N 416.468 3.117 0 40 HGAB CCOCCCNC(=O)c1nc(-c2cn(Cc3ccccc3)cn2)n2ccccc12 96037947 BLCRUHJFUPSQGO-UHFFFAOYSA-N 403.486 3.403 0 40 HGAB O=C1CS[C@@H](c2cccc(OC(F)F)c2)c2c(O)nn(C3CCOCC3)c2N1 96117048 FLEWXXYYKXMHPV-HNNXBMFYSA-N 411.430 3.316 0 40 HGAB COc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC(=O)c1nn(C)c(=O)c2ccccc12 96232736 ONSRFDASEIFLEG-LJQANCHMSA-N 402.454 3.231 0 40 HGAB O=C1CCCN1Cc1ncn2c1CN(C(=O)c1cccc(C(F)(F)F)c1)CCC2 96259370 HXJAMDOVSTXIGJ-UHFFFAOYSA-N 406.408 3.070 0 40 HGAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)N[C@H](C)c1cc(C)c(C)cc1C)O2 260939056 QDEWNUFDXRDVAV-UTKZUKDTSA-N 416.543 3.325 0 40 HGAB COC(=O)CCN(c1cccc(F)c1)S(=O)(=O)c1ccc(OC)c(Cl)c1 78876330 SBQYLDXQPVUIAS-UHFFFAOYSA-N 401.843 3.246 0 40 HGAB CC[C@@H]1CN(C(=O)Cc2cccs2)[C@H](CO)[C@@H]1CN(C)CCc1ccccc1 1772594789 UMXVEKSEYPAEDK-CEMLEFRQSA-N 400.588 3.311 0 40 HGAB COc1ccc(NC(=O)CSc2nnc(-c3ccccn3)n2-n2cccc2)cc1 5242388 WMLCFLUHOROHAO-UHFFFAOYSA-N 406.471 3.192 0 40 HGAB CC(C)NC(=O)OCc1c(COC(=O)NC(C)C)c2n(c1Br)CCC2 5664577 VBQRZIJLGWFYBF-UHFFFAOYSA-N 416.316 3.466 0 40 HGAB CC[C@@H](C(=O)Nc1cc(C2CC2)nn1-c1nc2c(c(=O)[nH]1)CCC2)c1ccccc1 12129782 HZHYWWYXEOJFMH-MRXNPFEDSA-N 403.486 3.454 0 40 HGAB Cc1nc(-c2ccc(CCNC(=O)[C@@H]3CCCN(c4ncccn4)C3)cc2)cs1 12914824 VKSMOWFPLGDUMU-LJQANCHMSA-N 407.543 3.484 0 40 HGAB C[C@H]1CC(=O)c2cnc(NC(=O)CSc3nc(O)cc(-c4ccccc4)n3)nc2C1 13636071 IPTNGKGXMZNUGF-GFCCVEGCSA-N 421.482 3.135 0 40 HGAB Cc1cc(C(=O)N2CC(=O)Nc3ccccc32)ccc1NS(=O)(=O)c1ccccc1 13678409 WEQRIUDZTSATGX-UHFFFAOYSA-N 421.478 3.395 0 40 HGAB O=C(Cn1c(S)nnc1-c1ccc(Cl)cc1)N1CCN(c2ccccc2)CC1 17358362 RSGKTIXMZPMQKC-UHFFFAOYSA-N 413.934 3.236 0 40 HGAB NC(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)CCN(C(=O)Cc2ccc(F)cc2)C1 19333135 RXLGGPCPXVLGRN-RUZDIDTESA-N 417.484 3.377 0 40 HGAB Cc1nn(C[C@H](C)C(=O)N2CC[C@H](c3cc4ncccc4c(=O)[nH]3)C2)c(C)c1Cl 19578045 UTVVOJQVJXNTPQ-WFASDCNBSA-N 413.909 3.042 0 40 HGAB CN1CCC(C(=O)N2CCC[C@@H]2c2cc(CCOc3ccccc3F)[nH]n2)CC1 19703771 SJTMLORITBZBBG-HXUWFJFHSA-N 400.498 3.176 0 40 HGAB NC(=O)c1ccc(N2CCN(C(=O)c3ccc(-c4ccc(F)cc4)s3)CC2)nc1 613678260 CGNPBTFZKFVLSC-UHFFFAOYSA-N 410.474 3.011 0 40 HGAB CC(C)c1ccc(NC(=O)[C@H](C)N2CCN(CC(=O)N3CCCCCC3)CC2)cc1 22915570 MJOASNAIZXLQFX-FQEVSTJZSA-N 414.594 3.157 0 40 HGAB O=C(CN1CCCCC1)Nc1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1 2037850107 WHQASPQQWSYZLX-UHFFFAOYSA-N 405.454 3.470 0 40 HGAB C[C@@H](Oc1ccc(Br)cc1)C(=O)Nn1c(=S)[nH]c2ccccc2c1=O 2970291 SOQQRLMZSUDOKV-SNVBAGLBSA-N 420.288 3.359 0 40 HGAB Cc1ccc(-n2ncc3c(=O)n(CC(=O)Nc4ccc(Cl)cc4)cnc32)cc1C 4166105 YNSXMTVAEZZBAO-UHFFFAOYSA-N 407.861 3.491 0 40 HGAB O=S(=O)(NCc1ccccc1)c1ccc2oc3cc(-n4cnnn4)ccc3c2c1 4727330 ATUXXLPIHKEBNH-UHFFFAOYSA-N 405.439 3.040 0 40 HGAB COc1ccc(N2C[C@@H](C(=O)Nc3c4c(nn3C(C)(C)C)CSC4)CC2=O)cc1 5077209 YXBZYFQWMQEECR-ZDUSSCGKSA-N 414.531 3.385 0 40 HGAB NC(=O)C1CCN(c2ccc3cccc(OCC(=O)Nc4ccccc4F)c3n2)CC1 11027627 AGWFNVOYVHONFG-UHFFFAOYSA-N 422.460 3.093 0 40 HGAB COc1ccccc1NC(=O)CSc1ncnc2c1nnn2Cc1ccc(F)cc1 11758478 VHROKZNTPAXXBT-UHFFFAOYSA-N 424.461 3.148 0 40 HGAB CCCC(=O)NC[C@H](c1ccc2c(c1)OCO2)N1CCN(c2ccccc2F)CC1 22851548 XWZHBWSFLGYGGD-HXUWFJFHSA-N 413.493 3.334 0 40 HGAB Cc1ccc(C)c(S(=O)(=O)NCCCCN2CCO[C@@H](c3ccccc3)C2)c1 36700421 PNDIBTUISQMODF-OAQYLSRUSA-N 402.560 3.435 0 40 HGAB CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N2CCC[C@@H](Cc3nc(C4CC4)no3)C2)C1 220755719 ZRHFTGZLENKVTH-RDJZCZTQSA-N 418.538 3.375 0 40 HGAB O=C(Cn1c(=O)oc2ccccc21)N[C@H]1CCC[C@H](OC(=O)Nc2ccccc2)C1 77200204 IPUCYSVTNBELHA-IRXDYDNUSA-N 409.442 3.271 0 40 HGAB C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)[C@@H]1CC(=O)N(C2CC2)C1 40040600 KXLZEKYOOUDVOA-VQIMIIECSA-N 405.498 3.469 0 40 HGAB COc1ccc([C@@H]2Nn3c(C)nnc3S[C@@H]2C(=O)N2CCCCC2)cc1Cl 20068911 WTTPYBWMNHBMQL-HOTGVXAUSA-N 407.927 3.020 0 40 HGAB COc1ccc(N2C[C@@H](C(=O)Nc3cccc(-c4cnco4)c3)CC2=O)cc1OC 40152465 DTSUBBKPOLMAGF-HNNXBMFYSA-N 407.426 3.350 0 40 HGAB CCOc1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3nccs3)C2)cc1OCC 40148985 MZAULLSDZLYBAW-OAHLLOKOSA-N 403.504 3.431 0 40 HGAB Cc1nn(CN2CCC(c3nnc4n3CCC4)CC2)c(=S)n1Cc1ccccc1 40158173 DRCLQSXAUKVJOL-UHFFFAOYSA-N 409.563 3.146 0 40 HGAB COc1cc(NC(=O)NC[C@H](C)N(C)c2ccccc2)c(C(=O)N(C)C)cc1OC 40105550 CAPGQKBAJRYANA-HNNXBMFYSA-N 414.506 3.052 0 40 HGAB C[C@@H]1CCC[C@@H](C)N1C(=O)CSc1nnc(Cc2ccc3c(c2)OCO3)n1C 1325509 UDJCFNPHJWDUBZ-ZIAGYGMSSA-N 402.520 3.016 0 40 HGAB CCOC(=O)N1CCN(c2ncnc3c2[nH]c2ccc(Br)cc23)CC1 2308604 QJFBDCAWVDMUTJ-UHFFFAOYSA-N 404.268 3.152 0 40 HGAB COCCNC(=O)c1c(NC(=O)COc2ccc(C)cc2)sc2c1CCCC2 2365178 DDVSERAILROMCB-UHFFFAOYSA-N 402.516 3.329 0 40 HGAB COCCNC(=O)c1c(N)n(-c2ccc(F)c(Cl)c2)c2nc3ccccc3nc12 2376937 ZPWWMKVWTBROJI-UHFFFAOYSA-N 413.840 3.325 0 40 HGAB CCOc1ccc(-n2c(S[C@H](CC)C(=O)OC)nc3c(c2=O)SCC3)cc1 2496869 NUTWMDVDSKRZJM-OAHLLOKOSA-N 406.529 3.323 0 40 HGAB O=C1c2ccccc2C(=O)N1CCCCn1nnc(-c2cccc(C(F)(F)F)c2)n1 3350452 LWSGLGGZSQBTOD-UHFFFAOYSA-N 415.375 3.435 0 40 HGAB CC(=O)[C@@H](Sc1nc(NC(C)C)nc(NC(C)C)n1)C(=O)Nc1ccccc1 4547188 XLKHWJYXQZIXEL-OAHLLOKOSA-N 402.524 3.201 0 40 HGAB O=S(=O)(NC[C@@H](c1cccs1)S(=O)(=O)c1ccccc1)c1cccs1 4553830 JFTSCLLNPVDJPR-HNNXBMFYSA-N 413.567 3.303 0 40 HGAB Cc1ccc(CNC(=O)COCC(=O)Nc2ccc(OCCc3ccccc3)cc2)o1 4696024 AEAPQJFEKRMKLB-UHFFFAOYSA-N 422.481 3.481 0 40 HGAB Cn1c(Oc2ccccc2NCc2cccc(Br)c2)cc(=O)n(C)c1=O 4733525 ZPRGTTILSZCQEB-UHFFFAOYSA-N 416.275 3.251 0 40 HGAB O=C(CN1CCCCC1)N1CCC(c2nc(=O)c3c4c(sc3[nH]2)CCCC4)CC1 4908501 ZVNGCOUFMIXMCA-UHFFFAOYSA-N 414.575 3.055 0 40 HGAB C[C@H](NC(=O)c1ccccc1)c1nc2ccccc2n1CC(=O)NCC(F)(F)F 6025016 PXUOYJHUAUVNIE-ZDUSSCGKSA-N 404.392 3.206 0 40 HGAB O=C(O)[C@@H]1[C@@H](C(=O)N2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)[C@@H]2C=C[C@H]1C2 6698463 KZRCQJRZZOWBOO-BODMPHMZSA-N 409.313 3.161 0 40 HGAB CCOc1ccc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCO)cc1OCC 6753050 TZQWDFJGGWNPFN-QFIPXVFZSA-N 423.469 3.117 0 40 HGAB COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)COc1ccc2ccccc2c1 7671508 OJPKLUUMKZRRIM-UHFFFAOYSA-N 417.465 3.130 0 40 HGAB Cc1cccc(-n2c(SCC(=O)NC[C@@H]3CCCO3)nc3ccccc3c2=O)c1C 7743422 SQKIMUDDNQVGOT-KRWDZBQOSA-N 423.538 3.390 0 40 HGAB COc1ccccc1Nc1ncccc1C(=O)OCc1nc2ccsc2c(=O)[nH]1 7986656 QWKZAEXCDKWESY-UHFFFAOYSA-N 408.439 3.489 0 40 HGAB CCn1c(CNC(=O)c2ccco2)nnc1SCC(=O)c1ccc(Cl)cc1 9095787 ZIEWYXWQQYEPQU-UHFFFAOYSA-N 404.879 3.449 0 40 HGAB O=C(Nc1ccc2c(c1)OCO2)c1ccccc1NC(=O)[C@H]1COc2ccccc2O1 9284111 VYYOHJHALUNJBO-OAQYLSRUSA-N 418.405 3.446 0 40 HGAB O=C(C[C@H]1Sc2ccccc2NC1=O)OCCCCN1C(=O)c2ccccc2C1=O 9669898 FXNTWBAOGLDVBR-GOSISDBHSA-N 424.478 3.109 0 40 HGAB COC(=O)c1cccc(NC(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)c1 10295873 CAJNVLOEWJVDFE-UHFFFAOYSA-N 404.488 3.001 0 40 HGAB CCOc1ccc([C@H]2c3c(-c4cc(C)ccc4O)n[nH]c3C(=O)N2CCO)cc1OC 11914085 VUPDBLWKSUFFJJ-QFIPXVFZSA-N 423.469 3.036 0 40 HGAB COc1cc(-c2cnc(NCCN3CCCC3)nc2-c2cccs2)nc(OC)n1 12253568 XKBPJVFEYLJEHJ-UHFFFAOYSA-N 412.519 3.187 0 40 HGAB CC(=O)N1Cc2ccccc2OC2(CCN(CC(=O)Nc3ccccc3F)CC2)C1 12365544 FBOGVIJMZHWTQA-UHFFFAOYSA-N 411.477 3.040 0 40 HGAB CCOC(=O)[C@@](NCc1ccc(F)cc1)(NC(=O)c1cccc(F)c1)C(F)(F)F 12412228 IXBZEIDRZMSTHW-GOSISDBHSA-N 416.346 3.306 0 40 HGAB CCc1ccc(C(=O)N2CCN(c3ccc(-n4nc(C)c(C)c4C)nn3)CC2)cc1 13009023 BBQVSRGKQJEWEA-UHFFFAOYSA-N 404.518 3.112 0 40 HGAB Cc1ccc(NC(=O)[C@H](NCc2ccc(S(N)(=O)=O)cc2)c2ccccc2)cc1 13113105 KAPOQNODNUWZEN-OAQYLSRUSA-N 409.511 3.112 0 40 HGAB COc1ccc(C2=NO[C@@H](CNC(=O)c3ccccc3Br)C2)c(OC)c1 13135787 ZUPGQVHWPNRMPO-CYBMUJFWSA-N 419.275 3.389 0 40 HGAB CS(=O)(=O)c1ccc2nc(NC(=O)c3cc(Cl)c4c(c3)OCCO4)sc2c1 14136900 YIRCAKBJPWPUOM-UHFFFAOYSA-N 424.887 3.377 0 40 HGAB O=C(CCNC1=NS(=O)(=O)c2ccccc21)N[C@H](c1ccc(Cl)cc1)C1CC1 14245465 IGLCJQPDHISEER-IBGZPJMESA-N 417.918 3.036 0 40 HGAB Cc1ccc(CN(C)C(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 15386233 SFLRBCMDWWXIJF-UHFFFAOYSA-N 400.544 3.363 0 40 HGAB Cc1ccc(CN(C(=O)COc2ccc(C)c(C)c2)[C@@H]2CCS(=O)(=O)C2)cc1 16742336 YEYHCRLYVNIAGZ-HXUWFJFHSA-N 401.528 3.207 0 40 HGAB COc1cc(C(=O)N2CCC(c3nc4cnccn4c3NC(C)(C)C)CC2)ccn1 19083167 JEWWFXLEEOWLOG-UHFFFAOYSA-N 408.506 3.363 0 40 HGAB Cc1cc(-c2cnc(N(C)C)nc2[C@H]2CCCCN2C(=O)Cc2cccnc2)on1 19121900 KQABIDTVVKAGAQ-GOSISDBHSA-N 406.490 3.197 0 40 HGAB Cc1ccc(O[C@@H](C)C(=O)N2CC[C@@H](c3cc(=O)[nH]c(-c4ccccn4)n3)C2)cc1C 19214109 UIHUCPJPUIRQBR-ZWKOTPCHSA-N 418.497 3.232 0 40 HGAB COc1ccc(-c2cnc(N(C)C)nc2[C@H]2CCCCN2C(=O)c2ccnn2C)cc1 19694350 PMMHJOYIVOESJT-LJQANCHMSA-N 420.517 3.319 0 40 HGAB CC(=O)N[C@H]1CCc2ccc(S(=O)(=O)N(C)Cc3ccc4ncccc4c3)cc21 19749561 YXJFLIAOHGENLW-QFIPXVFZSA-N 409.511 3.179 0 40 HGAB CCCCNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1c(C)cc(C)cc1C 19931254 ISPUNXPLTOPOLF-FQEVSTJZSA-N 402.560 3.418 0 40 HGAB CSc1ccc([C@H](C)NC(=O)CN(CCc2ccccc2)S(C)(=O)=O)cc1 20013229 GCVJJYDPRBSVTA-INIZCTEOSA-N 406.573 3.090 0 40 HGAB O=C(COc1ccc(S(=O)(=O)N2CCCCCC2)cc1)NCc1ccc(F)cc1 20021318 SCTNUGIBKFOAQT-UHFFFAOYSA-N 420.506 3.086 0 40 HGAB O=C1c2oc3ccccc3c(=O)c2[C@H](c2cccs2)N1CCCN1CCOCC1 20308059 ZLOYSAQLVOZAJG-IBGZPJMESA-N 410.495 3.122 0 40 HGAB COc1ccc2nc(S[C@@H](C)C(=O)N3CCN(Cc4ccccc4)CC3)[nH]c2c1 21128412 DEXHYJRLCZSNEC-INIZCTEOSA-N 410.543 3.397 0 40 HGAB Cn1c(SCc2cc(=O)oc3cc(O)ccc23)nnc1[C@H]1COc2ccccc2O1 21184340 HCDFHMLLTUTXGJ-GOSISDBHSA-N 423.450 3.432 0 40 HGAB CCOc1cc2c(cc1NC(=O)CN1CCN(Cc3ccsc3)CC1)O[C@H](C)C2 22849180 XTULRLXGOXETMV-MRXNPFEDSA-N 415.559 3.227 0 40 HGAB COc1cccc([C@@H](NC(=O)CCc2nnc(-c3ccccc3)o2)c2nccn2C)c1 24019561 OMPVWIWSMCOFJZ-OAQYLSRUSA-N 417.469 3.317 0 40 HGAB CC(C)C[C@H](NC(N)=O)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 24149198 ASYYJXHEVWKFQT-NRFANRHFSA-N 408.546 3.003 0 40 HGAB C[C@H](CCc1ccccc1)NC(=O)COc1ccc(S(=O)(=O)N(C)C)cc1Cl 28208060 UZCAIHGVVWGJFY-OAHLLOKOSA-N 424.950 3.107 0 40 HGAB C[C@@H](Sc1nc2ccccc2c(=O)n1C)c1nc(N)nc(Nc2ccccc2)n1 31694594 BISLEBBTSPLKPD-GFCCVEGCSA-N 405.487 3.298 0 40 HGAB O=C(Cn1nnc(-c2ccccc2)n1)N1N=C(c2ccco2)C[C@H]1c1cccs1 32668383 IXRDYKHUWMANKC-INIZCTEOSA-N 404.455 3.373 0 40 HGAB Cc1ccc(NC(=O)C[S@@](=O)CC(=O)N[C@@H]2CCc3ccccc32)cc1Cl 35314111 WQHWDGFZHVFNDA-CLYVBNDRSA-N 404.919 3.139 0 40 HGAB Cc1nn(CC(=O)Nc2ccc(OC(F)(F)F)cc2)c(=O)c2c1cnn2C(C)(C)C 35589809 DPRCVVBDEGFFTO-UHFFFAOYSA-N 423.395 3.194 0 40 HGAB COc1cccc2[nH]c(C(=O)N[C@H](C)C(=O)NCCc3c[nH]c4ccccc34)cc12 36585533 SKEMYHYCULDBEK-CQSZACIVSA-N 404.470 3.135 0 40 HGAB biogenic CCc1nn2c(=O)cc(CNc3ccc(NC(C)=O)cc3C(F)(F)F)nc2s1 40061272 ODLSWAWJEFDPOF-UHFFFAOYSA-N 411.409 3.303 0 40 HGAB Cc1cc(=O)c(C(=O)NCc2cccnc2OC2CCCC2)nn1-c1ccccc1 40089435 BETZJSZSPUPOJL-UHFFFAOYSA-N 404.470 3.187 0 40 HGAB O=C1CN(c2ccc(NC(=O)c3ccccc3Br)cc2Cl)CCN1 40134028 VGIIPZYJSSBTLD-UHFFFAOYSA-N 408.683 3.291 0 40 HGAB Cc1oc(C(=O)N(C)Cc2nc3ccccc3s2)cc1S(=O)(=O)N1CCCC1 40144257 YPLKRYXEONIXCJ-UHFFFAOYSA-N 419.528 3.254 0 40 HGAB CC(C)Cn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(F)c(Cl)c2)c1=O 40478594 YKJDTLLVNPTDSQ-UHFFFAOYSA-N 403.841 3.250 0 40 HGAB CCOc1ncccc1NC(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 48200518 QCEVFALEMQOKFR-UHFFFAOYSA-N 412.446 3.092 0 40 HGAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)CC(=O)NCCc1nc2ccccc2s1 49592457 IXSWHZUJVLWEME-INIZCTEOSA-N 420.542 3.229 0 40 HGAB COc1ccc(CCNC(=O)c2nnn(-c3ccc(Cl)cc3)c2C)cc1OC 51318144 BKSIYPOUZZDBHE-UHFFFAOYSA-N 400.866 3.219 0 40 HGAB O=C(NC[C@@H](c1ccco1)N1CCCC1)N1CCN(C/C=C/c2ccccc2)CC1 57292058 MPVASMQVBKCTPU-FLVSMNSFSA-N 408.546 3.457 0 40 HGAB CCCN(Cc1nnc(-c2ccco2)o1)[C@@H](C(=O)N1CCOCC1)c1ccccc1 57442659 CPIIBZYYIZSFAW-HXUWFJFHSA-N 410.474 3.142 0 40 HGAB COCCCNC(=O)CSc1nc2ccsc2c(=O)n1-c1ccc(F)c(C)c1 57489391 GACSLIZUPMUPBF-UHFFFAOYSA-N 421.519 3.140 0 40 HGAB O=C(Cn1c(=O)n(-c2ccc(Cl)cc2)c(=O)c2sccc21)NC1CCCCC1 57491652 MNYSVDBWBRKSOB-UHFFFAOYSA-N 417.918 3.316 0 40 HGAB COc1ccc(N2C(=O)C[C@@H](c3ccc4c(c3)OCO4)c3sc(=O)n(C)c32)cc1 66089694 JRQJDCARNIAUHM-HNNXBMFYSA-N 410.451 3.384 0 40 HGAB C[C@H](OC(=O)[C@@H]1Cc2ccccc2C(=O)O1)C(=O)Nc1ccc(N2CCCCC2)cc1 71863289 ZPJOJZQKKIXLRD-KKSFZXQISA-N 422.481 3.329 0 40 HGAB O=C(Nc1ccc(Oc2ncccn2)cc1)c1cc(I)c[nH]1 72285758 XTPQLHBWLKLBRM-UHFFFAOYSA-N 406.183 3.454 0 40 HGAB CNC(=O)c1sc2ccccc2c1C[C@H]1CCCCN1C(=O)c1ccc(N)nc1 72370452 SKDBRTBYPXGWFW-OAHLLOKOSA-N 408.527 3.476 0 40 HGAB COc1cccc([C@H](NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)C(C)(C)C)c1 79013733 BIVGOQHHAIFRBM-IBGZPJMESA-N 404.532 3.463 0 40 HGAB COc1cc(-c2c3c(O)nn(C(C)C)c3nc3[nH]c(=O)n(C)c23)ccc1OC(C)C 79480872 YFKCEZXLNJUUFM-UHFFFAOYSA-N 411.462 3.361 0 40 HGAB COC(=O)COc1ccc(NC(=O)c2ccc(-n3cccn3)cc2)c2cccnc12 83891303 IQNXHLDZAMAMTK-UHFFFAOYSA-N 402.410 3.225 0 40 HGAB CCOc1ccc(C(F)(F)F)cc1NC(=O)NC1CCN(CCN(C)C)CC1 89267825 UWLOYHGHUVUCDJ-UHFFFAOYSA-N 402.461 3.252 0 40 HGAB CCOc1cc(/C=C2/N=C(c3cc(OC)c(OC)c(OC)c3)OC2=O)ccc1OC 89990980 TYOGEHKUVMZCSN-OQLLNIDSSA-N 413.426 3.464 0 40 HGAB Cc1cc(C(=O)Nc2nc(C(=O)NCc3ccccc3OC(F)(F)F)co2)no1 90583216 LFIOFIPANRPTQK-UHFFFAOYSA-N 410.308 3.052 0 40 HGAB CC(=O)Nc1ccc(N2C(=O)c3cccc4c(N(C)CCO)ccc(c34)C2=O)cc1 95470888 NJJJSXSJMHZCDA-UHFFFAOYSA-N 403.438 3.027 0 40 HGAB COc1ccc(-c2nn(CCCC(=O)NCCc3ccccc3)c(=O)cc2OC)cc1 96100936 QJMGRKQAFXPCSW-UHFFFAOYSA-N 421.497 3.067 0 40 HGAB O=C(NC[C@@H]1CCCO1)c1nc(-c2cn(Cc3ccccc3)cn2)n2ccccc12 96154999 RWXKQPLNKCOYFX-SFHVURJKSA-N 401.470 3.155 0 40 HGAB Cc1nc(N2CCC(NC(=O)c3c(F)cccc3F)CC2)cc(C(F)(F)F)n1 169772261 XKQMILVBQVWAQX-UHFFFAOYSA-N 400.351 3.481 0 40 HGAB CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccccc1 223661537 FMOUTBOPARBGRK-RTWAWAEBSA-N 406.511 3.408 0 40 HGAB Cc1ccc(OCCNC(=O)[C@H](C)N(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1C 223892344 QDQZDXLRVKQMTQ-IBGZPJMESA-N 418.559 3.270 0 40 HGAB Cc1ccc(SCCNC(=O)[C@H](C)Oc2ccc(N(C)S(C)(=O)=O)cc2)cc1 224376119 NCUAIJZFWOOBFA-INIZCTEOSA-N 422.572 3.067 0 40 HGAB C[C@H](CCc1ccccc1)NC(=O)CN(Cc1ccccc1Cl)S(C)(=O)=O 224540760 UQHICHSUQGFETI-MRXNPFEDSA-N 408.951 3.239 0 40 HGAB C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)N(c1ccc(F)c(F)c1)S(C)(=O)=O 225099016 RTZNIEPVHLUWGP-PGBBXINNSA-N 412.502 3.204 0 40 HGAB COC(=O)CSc1nnc(NC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)s1 225158536 PVVFYFCRVXNIHK-SNVBAGLBSA-N 415.924 3.479 0 40 HGAB O=C(Nc1nnc(S(=O)(=O)NC2CCCCCC2)s1)c1ccccc1Cl 225626065 GPPASDJQHZOMCS-UHFFFAOYSA-N 414.940 3.445 0 40 HGAB COc1ccc(CCC(=O)NCc2ccc(-c3cccnc3)nc2)c(OC)c1OC 225764884 LZIWEMWOBZDDEG-UHFFFAOYSA-N 407.470 3.418 0 40 HGAB Cc1cc(N2C[C@H](C)C[C@@H](C)C2)nc(NC(=S)NCc2ccc3c(c2)OCO3)n1 226013379 DENFYGCAYUTFKU-ZIAGYGMSSA-N 413.547 3.483 0 40 HGAB CCN1CCN(c2ccc(N)cc2NC(=O)c2ccc(Br)cc2)CC1 226258972 YBCXCWWKHQMTOZ-UHFFFAOYSA-N 403.324 3.426 0 40 HGAB CO[C@@H](CNS(=O)(=O)c1ccc2c(c1)OCCCO2)c1cc2ccccc2o1 245039166 OIRGWKRSRVBWBY-FQEVSTJZSA-N 403.456 3.260 0 40 HGAB NC(=O)[C@]1(c2ccccn2)CCCN(Cc2ccccc2OCc2ccccn2)C1 257212077 CBVGLQQPOMOTKT-XMMPIXPASA-N 402.498 3.075 0 40 HGAB Cc1ccc(Cl)c(OC[C@@]2(O)CCCN(CC(=O)NCCc3ccccc3)C2)c1 257252769 JWCHCMHEZTXOOB-HSZRJFAPSA-N 416.949 3.213 0 40 HGAB CC(=O)N[C@@H]1C[C@H](c2ccccc2OCCN2CCOCC2)OC2(CCCCC2)C1 257255219 KGPSAXCVEKTYEW-NFBKMPQASA-N 416.562 3.457 0 40 HGAB CN1C(=O)CCC[C@H]2CN(Cc3cc(C(C)(C)C)ccc3OCC(=O)O)CC[C@H]21 257296782 REJNAQOFIXHHTM-QFBILLFUSA-N 402.535 3.280 0 40 HGAB CCc1ccc(N([C@H](C)C(=O)N[C@H](C)COc2ccccc2C)S(C)(=O)=O)cc1 260588346 IIONAJXEJPUFMO-QZTJIDSGSA-N 418.559 3.296 0 40 HGAB COc1ccc(S(=O)(=O)NCCc2ccccc2)cc1NC(=O)c1ccccc1 408553958 XRDRVDOIDCHHBW-UHFFFAOYSA-N 410.495 3.469 0 40 HGAB CCOc1ccc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(OCC)c(C)c2)cc1 408620938 KMJCEJBTRAQASP-OAHLLOKOSA-N 406.504 3.098 0 40 HGAB Cc1ccccc1CNC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccccc1C 408709775 WYNCGUWKLAGRTG-UHFFFAOYSA-N 415.493 3.488 0 40 HGAB CC[C@@H](C)NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1cc(C)ccc1OC 409389144 MLDMQLBNHUJXQW-QGZVFWFLSA-N 404.532 3.422 0 40 HGAB O=C([C@H](c1ccccc1)N1CCc2ccccc21)N1CCC[C@H](Cn2ccnn2)C1 505777133 FXLJLCGODMQMMS-CVDCTZTESA-N 401.514 3.321 0 40 HGAB O=C1c2ccccc2CN1CCC(=O)N1CCCC2=C[C@H]3C[C@@H](CN4CCCC[C@H]34)[C@H]21 583647566 KMWOXVJLEQBKSZ-ISXFXILCSA-N 419.569 3.454 0 40 HGAB biogenic CC(C)n1cc(CCNC(=O)C[C@@H]2NC(=O)c3ccccc3NC2=O)c2ccccc21 604403907 DESSLIHBQHOVNQ-FQEVSTJZSA-N 418.497 3.022 0 40 HGAB biogenic CC(C)C[C@@H]1NC(=O)C2(CCCCCOC[C@@H](C)NC1=O)CCN(C1CCC1)CC2 643581621 MHVXITDRGXWPAQ-CTNGQTDRSA-N 421.626 3.247 0 40 HGAB O=C(CCCc1nc2ccccc2[nH]1)N1CCCS(=O)(=O)C[C@H]1c1ccccc1 1649088094 XXWLHABJNOFLII-FQEVSTJZSA-N 411.527 3.274 0 40 HGAB O=C(Nc1ccc2onc(CN3CCOCC3)c2c1)c1ccc(C(F)(F)F)nc1 1775970733 QETURQJEUGWTMT-UHFFFAOYSA-N 406.364 3.326 0 40 HGAB CC(C)(C)c1ccc(OC[C@H]2CCN(C(=O)C[C@@H]3COc4ccccc4O3)C2)nn1 1888879502 UZSNUDCZHJTIIX-DLBZAZTESA-N 411.502 3.232 0 40 HGAB COc1c(C)cccc1C(=O)NC(=S)Nc1sc2c(c1C(N)=O)CC[C@@H](C)C2 1861034 OLVZHBCDIJWLIJ-SNVBAGLBSA-N 417.556 3.416 0 40 HGAB COc1cc(Cl)c(C)cc1NC(=O)CSc1nnc(-c2ccccc2F)n1N 2375657 GVLOJPVOTDJRIR-UHFFFAOYSA-N 421.885 3.499 0 40 HGAB COc1ccccc1Nc1nnc(SCC(=O)Nc2ccc(C(N)=O)cc2)s1 3494662 DXTVHQVLMBFSRE-UHFFFAOYSA-N 415.500 3.120 0 40 HGAB CCOCCCn1c(SCC(=O)NCC(C)C)nc2sc(C)c(C)c2c1=O 3507798 SOBONKOIHHVBIZ-UHFFFAOYSA-N 411.593 3.366 0 40 HGAB O=C(OCC(=O)N1CCc2ccccc21)c1ccccc1I 3620509 QPKCWFQYNCWUKR-UHFFFAOYSA-N 407.207 3.037 0 40 HGAB COc1ccc(Cl)cc1NC(=O)CSc1nc2c(c(=O)n1C)S[C@@H](C)C2 4107772 SDTJANRQRPBDGT-VIFPVBQESA-N 411.936 3.210 0 40 HGAB O=C(Nc1nnc(SCc2cccnc2)s1)[C@H]1CC(=O)N(c2ccccc2)C1 4271771 STZRCXFNYQQQDD-AWEZNQCLSA-N 411.512 3.217 0 40 HGAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1cc2ccccc2cc1OC 5615795 OBODPYCLXHKHCJ-UHFFFAOYSA-N 414.483 3.360 0 40 HGAB COc1cc(/C=C/C(=O)OCC(=O)N2CCc3ccccc3C2)ccc1OC(F)F 6549924 OJVVRTWNXVVPCQ-VQHVLOKHSA-N 417.408 3.438 0 40 HGAB CN(C)c1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1 7367035 WPKFTWRRJCROFI-SFHVURJKSA-N 407.923 3.198 0 40 HGAB C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)Oc3ccc(Cl)cc3)c2)C[C@@H](C)O1 7656744 QGNDAAGCLIFLFU-ZIAGYGMSSA-N 409.891 3.357 0 40 HGAB CCn1c(SCC(=O)NCCCN(C)c2ccccc2)nnc1-c1ccncc1 7768796 LGMCHACTXDPSAY-UHFFFAOYSA-N 410.547 3.095 0 40 HGAB COc1ccc(NC(=O)CN(C)CC(=O)NCc2ccc(Cl)cc2Cl)cc1 8093199 AYIUHNFSKXVZJE-UHFFFAOYSA-N 410.301 3.189 0 40 HGAB C[C@@H](OC(=O)CCN1C(=O)c2ccccc2C1=O)C(=O)Nc1ccc(F)cc1Cl 8667324 LVOKITYJDQQHJQ-LLVKDONJSA-N 418.808 3.036 0 40 HGAB Cc1ccc(S(=O)(=O)NCCn2nc(-c3ccc(Cl)cc3)ccc2=O)c(C)c1 9844655 FTNRVBBJLLIHEX-UHFFFAOYSA-N 417.918 3.159 0 40 HGAB O=C(N[C@H]1CCOc2ccccc21)c1cccc(S(=O)(=O)NCc2ccco2)c1 9949949 SQATVTPMZFMDGE-IBGZPJMESA-N 412.467 3.012 0 40 HGAB COc1cccc(-c2nnc(O)c3c2[C@@H](c2ccccc2Cl)n2nnnc2N3)c1 10296816 HRCKYZGROSQNSR-QGZVFWFLSA-N 407.821 3.192 0 40 HGAB COc1ccc(NS(=O)(=O)c2cccc(C(=O)N[C@@H](C)c3ccccn3)c2)cc1 10556755 JVQKOHVEWGSXLK-HNNXBMFYSA-N 411.483 3.382 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCC(NC(=O)/C=C/c3ccc(C)s3)CC2)cc1 10569054 HKIIJDHMPIQFBI-JXMROGBWSA-N 404.557 3.348 0 40 HGAB C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)CSc3ccccc3)cc2)C[C@@H](C)O1 10646744 ILFJRJZLRVEHMR-HZPDHXFCSA-N 420.556 3.215 0 40 HGAB Cn1c(=O)n(C)c2cc(S(=O)(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)ccc21 11615482 MEINECPIDHIUKY-UHFFFAOYSA-N 419.812 3.350 0 40 HGAB O=C(Cn1c(=O)n(Cc2cccs2)c2ncccc21)Nc1cccc2ncccc12 12144859 SSIXMYWPLODTPR-UHFFFAOYSA-N 415.478 3.495 0 40 HGAB C[C@H]1C[C@@H](C)CN(C(=O)CN2C(=O)COc3ccc(C(=O)c4cccs4)cc32)C1 12239318 FJYULSXMAVBYIA-GASCZTMLSA-N 412.511 3.209 0 40 HGAB C[C@@H]1CN(c2ncc3c(n2)CC(C)(C)C[C@@H]3NC(=O)C[C@@H]2CCCCO2)C[C@@H](C)O1 12240656 RSHMGTHGLVTIQM-VXNCWWDNSA-N 416.566 3.179 0 40 HGAB COc1cccc(CN2CCC3(CC2)CN(C(C)=O)Cc2ccccc2O3)c1OC 12365522 JWQFSVAKQRVGPO-UHFFFAOYSA-N 410.514 3.480 0 40 HGAB COc1ccc(-c2cn(-c3ccccc3)nc2C(=O)NC2=NCCS2)cc1OC 12776492 JCQFKRWKLFOZQK-UHFFFAOYSA-N 408.483 3.389 0 40 HGAB Cc1cccc(OCCNC(=O)c2ccc(S(=O)(=O)N3CCCC[C@@H]3C)cc2)c1 12777284 JZXPIZQLIFNLOU-SFHVURJKSA-N 416.543 3.367 0 40 HGAB CN(CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1)Cc1cccc(F)c1 12779999 WVGHLQZUXNLEIC-UHFFFAOYSA-N 407.371 3.496 0 40 HGAB CS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)n1 12852215 WSABGLHZINCGEA-UHFFFAOYSA-N 414.192 3.458 0 40 HGAB CC(C)n1ncc2cc(NC(=O)Cc3csc(NC(=O)c4ccco4)n3)cnc21 13000565 XXXOZOBYNXIAOC-UHFFFAOYSA-N 410.459 3.495 0 40 HGAB COc1ccc(S(=O)(=O)NC23CC4CC(CC(C4)C2)C3)cc1C(=O)NC(C)C 13679889 ZKWMUJWPHMVYRP-UHFFFAOYSA-N 406.548 3.081 0 40 HGAB Cc1nc(-c2ccc(CNC(=O)CCN3C(=O)NC4(CCCC4)C3=O)s2)cs1 14066367 XDWKAUVXLZLFDS-UHFFFAOYSA-N 418.544 3.051 0 40 HGAB COC[C@@H](C)NC(=O)c1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1 15791152 CSXCZMJCCUUTAV-GFCCVEGCSA-N 416.421 3.271 0 40 HGAB O=C(Nc1ccc(CN2CCOCC2)cc1)c1ccccc1I 16449341 WXIAOHMRNSRSDU-UHFFFAOYSA-N 422.266 3.376 0 40 HGAB COc1cc(NC(=O)Cn2cnc3c(sc4cccc(F)c43)c2=O)cc(OC)c1 16943237 IBPAASASJLBTED-UHFFFAOYSA-N 413.430 3.406 0 40 HGAB CCN1C[C@H](C(=O)N2CCC[C@H](c3cc(C(F)(F)F)c4c(C)noc4n3)C2)CC1=O 19526902 VAEPDKQKXKQQJS-QWHCGFSZSA-N 424.423 3.124 0 40 HGAB COc1ccc(-c2cnc(N(C)C)nc2[C@@H]2CCCCN2CC(=O)N2CCCC2)cc1 19694411 XWDBNQWWLWEOJJ-NRFANRHFSA-N 423.561 3.368 0 40 HGAB CC1CCN(C(=O)CN2CCCC[C@H]2c2cc(C(F)(F)F)c3c(N)n[nH]c3n2)CC1 19743402 GXNJCNLCCAUALR-HNNXBMFYSA-N 424.471 3.344 0 40 HGAB COc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCN3C(=O)c2cccnc2)cc1 19819318 GBZBSKFBLLIKAM-UHFFFAOYSA-N 409.467 3.094 0 40 HGAB CCC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1cc(C)ccc1OC 20007293 ALLBFSFBJOSTQG-MJGOQNOKSA-N 418.559 3.198 0 40 HGAB CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NC(C)(C)C)cc1C 22268081 NNIHXSVVDMSPJA-LJQANCHMSA-N 418.559 3.198 0 40 HGAB CCCn1c(NC(=O)[C@@H](NS(=O)(=O)c2cccs2)C(C)C)nc2ccccc21 22284825 WMHHODZCSFGHSQ-KRWDZBQOSA-N 420.560 3.449 0 40 HGAB O=C(CNC(=O)c1cccc(Br)c1)Nc1ccccc1N1CCCC1 22644221 FJZAFQPQROREHG-UHFFFAOYSA-N 402.292 3.418 0 40 HGAB O=C(Nc1ccc(-n2cncn2)cc1)c1occc1CS(=O)(=O)c1ccccc1 23056388 ZFPAZPYYBNZWEG-UHFFFAOYSA-N 408.439 3.087 0 40 HGAB Cc1cccc(-n2c(S[C@@H](C)C(=O)N3CCNC3=O)nc3ccccc3c2=O)c1C 24223700 OCFZNPVTTYXNFM-HNNXBMFYSA-N 422.510 3.035 0 40 HGAB Cc1cccc(NC(=O)CN(C)C(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)c1C 24742715 OIZSHJZZAPUNHG-HXUWFJFHSA-N 409.486 3.132 0 40 HGAB CCOC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2sc(C)nc2C)CC1 25514612 KFRUCWOJEWUNLB-KRWDZBQOSA-N 421.950 3.476 0 40 HGAB CSc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1C(=O)N1CCCC1 26114495 XOYUZGPOWQDNDB-UHFFFAOYSA-N 404.557 3.465 0 40 HGAB Cc1cc(NC(=O)CSCC(=O)Nc2ccccc2OCC(F)(F)F)no1 26135249 VYNFCQTYLLBEJC-UHFFFAOYSA-N 403.382 3.235 0 40 HGAB CN(CCOc1ccccc1Cl)C(=O)/C=C/c1ccc(NS(C)(=O)=O)cc1 32899587 HBKKVUWUDUKXQO-FMIVXFBMSA-N 408.907 3.262 0 40 HGAB CC(=O)[C@H](C)OC(=O)c1cc(S(=O)(=O)N(C)c2ccc(F)cc2)ccc1Cl 32910267 MGXMYFBBJOIUAZ-LBPRGKRZSA-N 413.854 3.439 0 40 HGAB O=C(O)[C@@H](Cc1ccccc1)N1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S 35648948 HUFJVRJMICCPTC-NGWPFTMJSA-N 413.476 3.312 0 40 HGAB Cc1noc2nc(-c3cnn(C)c3)cc(C(=O)Nc3cnn(Cc4ccccc4)c3)c12 36619205 SMHKLPWYVCHTNZ-UHFFFAOYSA-N 413.441 3.429 0 40 HGAB Cc1noc2nc(-c3cnn(C)c3)cc(C(=O)NCc3cnn(-c4ccccc4)c3)c12 36619313 JYYHHDGLNDTZFE-UHFFFAOYSA-N 413.441 3.047 0 40 HGAB Cc1ccc(CNC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(C(C)(C)C)ccc3O2)cc1 38848798 HJMWRSHDCQIWFS-HXUWFJFHSA-N 416.543 3.136 0 40 HGAB C[C@@]12CCC(=O)N1c1ccccc1C(=O)N2CCC(=O)N[C@H]1CCc2ccccc21 45897185 KVFFFMKCEUHDRA-CYFREDJKSA-N 403.482 3.179 0 40 HGAB COC(=O)Cn1c2c(sc1=O)[C@@H](c1cccc(OC)c1)CC(=O)N2c1ccccc1 49548559 XPQZAWUUQPVFNB-QGZVFWFLSA-N 424.478 3.292 0 40 HGAB O=C(OCc1csc(-c2ccccn2)n1)c1ccc(N2CCCS2(=O)=O)cc1 55151173 JWYAHLHLPFMRSH-UHFFFAOYSA-N 415.496 3.102 0 40 HGAB COc1ccc([C@H](NC(=O)Cc2c(C)nc(-c3ccncc3)[nH]c2=O)C(C)C)cc1 56326838 NGOYDCHMFWJASJ-OAQYLSRUSA-N 406.486 3.205 0 40 HGAB CC(=O)c1ccc(NC(=O)Cn2c(=O)c3nnc(C(C)C)n3c3ccccc32)cc1 57522539 XCIDQISBNARGER-UHFFFAOYSA-N 403.442 3.009 0 40 HGAB CC(=O)Nc1c(C)cccc1-c1nnc(SCC(=O)Nc2ccccc2)nc1O 64774852 GOSXOUWPCZXFIM-UHFFFAOYSA-N 409.471 3.242 0 40 HGAB O=C(CCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)N[C@H]1CCOc2ccccc21 69598401 SXVHTKBQOVSRPF-HNNXBMFYSA-N 409.511 3.436 0 40 HGAB COc1cccc(C(=O)N(C)[C@@H]2CCCN(C(=O)c3ccc4nsnc4c3)CC2)c1 72345715 PTJACEJHFRWSIX-QGZVFWFLSA-N 424.526 3.467 0 40 HGAB CCc1c(C)sc2ncn([C@@H]3CCCN(C(=O)c4n[nH]c5c4CCC5)C3)c(=O)c12 72347748 MRDJUOSKXZHPDX-CYBMUJFWSA-N 411.531 3.018 0 40 HGAB COc1ccc(NC(=O)CN2CCC[C@H]2c2ccc(Nc3ncccn3)cn2)cc1 72353001 ASDPGRRCJOKZOJ-FQEVSTJZSA-N 404.474 3.399 0 40 HGAB CC(=O)NCc1cnc([C@H]2CCCN2C(=O)COc2ccccc2)cc1C(F)(F)F 72356050 GPPBLDFYGZDKBP-LJQANCHMSA-N 421.419 3.479 0 40 HGAB COC(=O)c1cccc2c1CCCN2S(=O)(=O)c1ccc(F)c2ncccc12 83897443 GHKMXULMPCRAKP-UHFFFAOYSA-N 400.431 3.302 0 40 HGAB O=C(CC[C@@H]1NC(=O)c2ccccc2NC1=O)Nc1nnc(C2CCCCC2)s1 95479407 MTKLICLPURVNKY-HNNXBMFYSA-N 413.503 3.055 0 40 HGAB CNC(=O)C[C@@H]1CC2(CCN(C(=O)Cc3cccc(F)c3)CC2)Oc2ccccc21 96243011 NRCLACZVWNXMRX-GOSISDBHSA-N 410.489 3.432 0 40 HGAB CC(=O)C1=NN(c2ccc(Cl)cc2)[C@@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@@H]12 100077708 KAXLLGBUNXXNSL-RDJZCZTQSA-N 402.237 3.317 0 40 HGAB CCc1onc(C)c1C(=O)N[C@@H](Cc1cc(O)n2nc(C)cc2n1)c1ccc(F)cc1 100220692 XKUVTIVKIBTUBJ-KRWDZBQOSA-N 423.448 3.455 0 40 HGAB O=C(O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)Nc1ccccc1NS(=O)(=O)c1cccs1 102634283 IHNXFEHXSLUZHY-NQERCMRGSA-N 418.496 3.010 0 40 HGAB COc1ccc(NC(=O)c2ccccc2N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c(OC)c1 136530096 KCZGXEQVABUQIV-HOTGVXAUSA-N 406.438 3.412 0 40 HGAB O=C(O)c1cc(S(=O)(=O)NCCC2=CCCCC2)ccc1NC[C@@H]1CCCO1 217587044 XHLQKOIGCKIXJC-INIZCTEOSA-N 408.520 3.145 0 40 HGAB C[C@@H](C(=O)NCCc1ccccc1)N(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 220188220 CPIJZTTZLWNBJE-AWEZNQCLSA-N 414.449 3.219 0 40 HGAB CC[C@H](C(=O)Nc1ccccc1C(=O)OC)N(c1cc(C)cc(C)c1)S(C)(=O)=O 220560750 RQEKXYXLCHAULL-LJQANCHMSA-N 418.515 3.273 0 40 HGAB CC[C@@H](C(=O)N[C@@H]1CCCc2ccccc21)N(c1cccc(OC)c1)S(C)(=O)=O 220630384 YGJSZLBOLPOFAW-RTWAWAEBSA-N 416.543 3.434 0 40 HGAB COC(=O)c1cn(C(=O)[C@H](C)N(c2cccc(F)c2)S(C)(=O)=O)c2ccccc12 222633466 LEEKQYDGLVYYHZ-ZDUSSCGKSA-N 418.446 3.062 0 40 HGAB Cc1ccc(OCCNC(=O)CCCN(c2cccc(C)c2C)S(C)(=O)=O)cc1 222635503 VBALOMUAIPGUSU-UHFFFAOYSA-N 418.559 3.353 0 40 HGAB CN(C)CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1Cc1cccnc1 223218817 SXXBELILSLTARD-FGZHOGPDSA-N 420.586 3.251 0 40 HGAB Cc1cc(C)c([C@@H](C)NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1C 223504940 KJMJJALAFHMAIR-GOSISDBHSA-N 416.543 3.124 0 40 HGAB CCOc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2CCO)cc1 223588541 DTJKZCNAORQRNV-SFTDATJTSA-N 408.527 3.236 0 40 HGAB CCOc1ccccc1CN(C)S(=O)(=O)c1ccc(OC)c(N2CCCC2=O)c1 223888573 PUOZXZKQAPJJOH-UHFFFAOYSA-N 418.515 3.041 0 40 HGAB CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N1c2ccccc2C[C@@H]1C 223928661 HIWIZRTWVWNKIN-MGPUTAFESA-N 402.516 3.218 0 40 HGAB O=C(NCCOCc1ccccc1)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 224026818 IVHBGZUKBBUAHP-UHFFFAOYSA-N 422.934 3.071 0 40 HGAB Cc1cc(C)cc(N(CC(=O)NCc2cccc(C(F)(F)F)c2)S(C)(=O)=O)c1 225881340 LZENMHOYXJHYHE-UHFFFAOYSA-N 414.449 3.405 0 40 HGAB O=C(Cn1cnc2ccccc2c1=O)Nc1ccccc1-c1cn2c(n1)SCC2 245039150 OHWYKTVVGKNGFZ-UHFFFAOYSA-N 403.467 3.004 0 40 HGAB C[C@@H]1[C@@H](n2c(SCc3nc(N)nc(N)n3)nc3ccccc3c2=O)CCC[C@H]1C 245263860 BGYZKAIYYUALGU-XUJVJEKNSA-N 411.535 3.035 0 40 HGAB O=C(c1cc(O)nc(O)n1)N1CCC[C@@H]1c1ncc(Cc2ccccc2Cl)o1 257207361 BHKFTFHGXRWUBX-OAHLLOKOSA-N 400.822 3.097 0 40 HGAB CO[C@H]1CN(CC(=O)Nc2nc(-c3ccc(C)cc3)cs2)CC[C@]12CCCO2 257221010 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Cc1cccc(Nc2cc([C@@H]3CCCN(C(=O)/C=C/c4cnc[nH]4)C3)nc(C)n2)n1 585292236 YWIBTCVJHDUDMM-KBOKABMXSA-N 403.490 3.375 0 40 HGAB CC(C)(C)c1ccc2nnc(C3CCN(C(=O)[C@H]4COc5ccccc5C4)CC3)n2n1 585580953 DLHCEGCHWCUXNA-GOSISDBHSA-N 419.529 3.379 0 40 HGAB Cc1ccccc1-n1nc(C(=O)N[C@@H](C)c2nnnn2-c2ccccc2)c2c1CCC2 604301521 BJMJEOMGBZLZNX-INIZCTEOSA-N 413.485 3.136 0 40 HGAB CCOC(=O)Cn1cnc(NC(=O)NC2(c3ccc(Cl)cc3)CCCCC2)n1 1662884800 FJTSQDHDXHJHSQ-UHFFFAOYSA-N 405.886 3.476 0 40 HGAB Cc1cc(N2CCC[C@@H](COc3ncc(Br)cn3)C2)n2nc(C)cc2n1 1775970479 OAWIZWYYEUOTSG-CQSZACIVSA-N 417.311 3.194 0 40 HGAB COc1cccc(C(=O)N2CCC[C@@]3(CCCN(Cc4csc(C)n4)C3)C2)n1 2056223695 AVVANQWPERPDQO-OAQYLSRUSA-N 400.548 3.374 0 40 HGAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(OC)cc3)C2)cc1 809610 IDBDRCNFSHZWPJ-MRXNPFEDSA-N 418.515 3.133 0 40 HGAB CCOC(=O)CSc1nnc(CNc2ccc(C)cc2C)n1C[C@@H]1CCCO1 923568 ZWKDMXQSENOTIP-INIZCTEOSA-N 404.536 3.341 0 40 HGAB Cc1ccc2c(c1)cc(CN(C(=O)N1CCOCC1)C1CCCCC1)c1nnnn12 1376900 LVVOLTRHRLKNOU-UHFFFAOYSA-N 408.506 3.173 0 40 HGAB O=C(COc1ccccc1I)N1CCC(c2ccccc2)=N1 31656770 FCANDGGSTRYSMN-UHFFFAOYSA-N 406.223 3.307 0 40 HGAB CCOc1ccc(N(CC(=O)N(CC)CC)S(=O)(=O)c2ccc(F)cc2)cc1 6139122 CAVTXRHINPTDSV-UHFFFAOYSA-N 408.495 3.288 0 40 HGAB COc1cccc(C(=O)N[C@@]2(C(F)(F)F)N=C(c3ccccc3)N(C(C)C)C2=O)c1 20650168 FEZYOMXOOWANHS-FQEVSTJZSA-N 419.403 3.381 0 40 HGAB CC[C@H](CNC(=O)COc1ccc(N2CCCC2=O)cc1)N1CCc2ccccc2C1 32446978 RYFKJFPKRQPHLX-OAQYLSRUSA-N 421.541 3.145 0 40 HGAB O=C([C@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1)N1CCc2ccccc21 10449355 XHDHCZTXYPEVTG-JOCHJYFZSA-N 420.490 3.232 0 40 HGAB C[C@H](NC(=O)c1cc2cc(F)ccc2[nH]1)c1cc(O)n2nc(C3CCOCC3)cc2n1 100769413 XETOPASCTVUSGO-LBPRGKRZSA-N 423.448 3.440 0 40 HGAB O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)Nc1nc(-c2c[nH]c3ccccc23)cs1 102933906 SOLBHBUIKLNSMP-OGCKGYDTSA-N 418.478 3.037 0 40 HGAB O=C(COC(=O)c1ccc(I)cc1)Nc1ccc(Cl)cn1 2631964 BSEGXLUBKJELJV-UHFFFAOYSA-N 416.602 3.135 0 40 HGAB CCOc1cccc(CNC(=O)[C@@H](CC)N(c2ccccc2F)S(C)(=O)=O)c1 113967510 HOBZRZVSOOMBSZ-GOSISDBHSA-N 408.495 3.085 0 40 HGAB COC(=O)c1cccc2c1CCCN2C(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2 25192429 UCIYCWZSIIDVHT-UHFFFAOYSA-N 424.541 3.475 0 40 HGAB CCc1ccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2cc(OC)ccc2C)cc1 22229756 YFZYNNVCLVOUMR-LJQANCHMSA-N 402.516 3.358 0 40 HGAB Cc1ccn2cc(C(=O)N3C[C@@H](C(=O)N4CCCCC4)Oc4ccccc43)nc2c1 12506270 SXBWRPINSYOXQQ-FQEVSTJZSA-N 404.470 3.063 0 40 HGAB COc1ccccc1CNC(=O)c1ccccc1NC(=O)C(=O)N[C@H]1CCCC[C@@H]1C 408710193 RQXDWEALRZYJNJ-LPHOPBHVSA-N 423.513 3.259 0 40 HGAB CCCCn1cnc2c1c(=O)n(Cc1coc(-c3ccccc3)n1)c(=O)n2CCC 12520400 GXUZXOCDPJSERW-UHFFFAOYSA-N 407.474 3.273 0 40 HGAB CC[C@H](NC(=O)CCNC1=NS(=O)(=O)c2ccccc21)c1ccc(Cl)cc1 10423686 NFDDQSBXSYBUCB-INIZCTEOSA-N 405.907 3.036 0 40 HGAB O=C(O)CCC(=O)Nc1nc2n(n1)[C@@H](c1ccc(F)cc1)C=C(c1ccccc1)N2 2249297 KGDURUZPHDAMOE-QGZVFWFLSA-N 407.405 3.277 0 40 HGAB Cc1ccc(N2C(=O)N(CCCCN3C(=O)c4ccccc4C3=O)C(=O)[C@@H]2C)cc1 7779782 MCXKLYFMKVRQMJ-INIZCTEOSA-N 405.454 3.229 0 40 HGAB CC(C)c1ccc(CCNC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 12778416 TTZADKYFEBEMHR-UHFFFAOYSA-N 415.559 3.069 0 40 HGAB CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)COc1cc(C)ccc1Cl 12893787 QWRIMPRAVZAWSC-UHFFFAOYSA-N 418.877 3.286 0 40 HGAB C[C@H](OC(=O)CSCc1cccc(Cl)c1)C(=O)Nc1ccc(C(N)=O)cc1 3401405 ALPAUVYWEVUDPV-LBPRGKRZSA-N 406.891 3.243 0 40 HGAB CN(C)S(=O)(=O)c1cccc(C(=O)N(Cc2ccco2)Cc2cccs2)c1 3415347 VBDSAQPZLOIDBN-UHFFFAOYSA-N 404.513 3.434 0 40 HGAB Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)NCc1ccc(N2CCOCC2)nc1 12944420 VIQWRGVNQBPCEU-UHFFFAOYSA-N 417.575 3.311 0 40 HGAB CC(=O)c1ccc(OCCCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 3532125 NPEILQJQNNBEHB-UHFFFAOYSA-N 407.470 3.485 0 40 HGAB O=C(Nc1ccccc1)c1cccc(S(=O)(=O)N2CCC(=O)[C@@H]3CCCC[C@@H]32)c1 3621077 YSOVLEWWDMPKDH-UXHICEINSA-N 412.511 3.461 0 40 HGAB COc1cccc(CN(C)C(=O)CCNC(=O)c2ccc(Br)cc2)c1 13013892 WBVVUFAYONZOJL-UHFFFAOYSA-N 405.292 3.236 0 40 HGAB O=C1C[C@@H](c2ccc(OCc3cccc(F)c3)c(Br)c2)N2NC=NC2=N1 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COc1ccccc1NC(=S)N1CCC(n2nnc(-c3cccs3)n2)CC1 4477336 LSMIISHNFDCIQU-UHFFFAOYSA-N 400.533 3.444 0 40 HGAB O=C(C1CCN(S(=O)(=O)c2cccs2)CC1)N(Cc1ccc(F)cc1)C1CC1 14167402 KLASACLRNODDKM-UHFFFAOYSA-N 422.547 3.479 0 40 HGAB Cc1cc(O[C@@H](C)C(=O)NC[C@H](O)c2ccccc2)c2c3c(c(=O)oc2c1)CCC3 6658617 KLSDFGHAPZVLFV-KXBFYZLASA-N 407.466 3.207 0 40 HGAB COCCNC(=O)c1ccccc1NS(=O)(=O)c1cc(Cl)ccc1Cl 4741084 PPFLQWFRKMLFRF-UHFFFAOYSA-N 403.287 3.170 0 40 HGAB CC(C)(C)c1ccc(S(=O)(=O)N2CCN(Cc3noc(C(C)(C)C)n3)CC2)cc1 58913990 SBHPDHKBIHLJQB-UHFFFAOYSA-N 420.579 3.171 0 40 HGAB COc1ccc(NC(=O)c2ccccc2N(C)S(=O)(=O)c2c(C)noc2C)cc1 7384279 FNMWJGOCYGJFHG-UHFFFAOYSA-N 415.471 3.377 0 40 HGAB O=C(CC[C@H]1NC(=O)c2ccccc2NC1=O)Nc1cccc(OC(F)(F)F)c1 95471358 WRNZQYHMDAYIMB-OAHLLOKOSA-N 407.348 3.055 0 40 HGAB C[C@H](OCC1CC1)C(=O)OCCc1ccccc1COC(=O)[C@H](C)OCC1CC1 95456173 CODKCRGWDCPSNO-IRXDYDNUSA-N 404.503 3.446 0 40 HGAB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NC1CC1)c1ccc(Cl)cc1 408556594 JQMXNZGLBMNZLE-UHFFFAOYSA-N 408.907 3.131 0 40 HGAB Cc1ccc(C)c(NC(=O)CSc2nnc(CNC(=O)c3ccccc3C)n2C)c1 409061230 CBAYYBSBHSIUEO-UHFFFAOYSA-N 423.542 3.401 0 40 HGAB COc1ccc(-c2ccc3c([C@H]4CN(Cc5nccs5)CCO4)nnn3c2)cc1 306135180 OKHSXDVDNMRAPH-LJQANCHMSA-N 407.499 3.435 0 40 HGAB Cc1ccc2c(c1)CCCN2C(=O)C1CCN(c2ccc(-n3cccn3)nn2)CC1 62022690 IGDDCHOYIIPCOS-UHFFFAOYSA-N 402.502 3.167 0 40 HGAB Cc1ccc([C@@H]2c3c(n(C)c(=O)n(C)c3=O)N=C3c4ccccc4C(=O)[C@H]32)c(C)c1C 408733153 FHMOCZCUZCYEDM-OALUTQOASA-N 413.477 3.088 0 40 HGAB CCc1ccc(NC(=O)[C@@H](CCSC)NC(=O)[C@@H]2Cc3ccccc3CN2)cc1 36550278 SFAJBHFFAZTTBJ-RTWAWAEBSA-N 411.571 3.140 0 40 HGAB O=C1N(Cc2ccccc2)C[C@@]2(F)CN(Cc3c[nH]nc3-c3ccccc3)C[C@@]12F 306125558 CTWVKXXWOOZPIJ-XZOQPEGZSA-N 408.452 3.351 0 40 HGAB O=C(Nc1nnc(CCc2ccccc2)s1)[C@H]1CC(=O)N(Cc2ccccc2)C1 31813312 XTSCYNXADVEDHU-SFHVURJKSA-N 406.511 3.311 0 40 HGAB COc1ccc(F)cc1S(=O)(=O)N1CCC[C@H](C(=O)N[C@H](C)c2ccccc2)C1 37019112 RMFLRESDWVCPBA-WBVHZDCISA-N 420.506 3.112 0 40 HGAB CS(=O)(=O)N(CC(=O)NCCc1ccc(F)cc1)c1cccc2ccccc12 223699166 MBCOJWZETXEDMA-UHFFFAOYSA-N 400.475 3.104 0 40 HGAB COc1ccc(OCC(=O)N(Cc2cccc(OC)c2)[C@H](C)C(=O)NC(C)C)cc1 225651019 YFMUHLJTNJFWHN-QGZVFWFLSA-N 414.502 3.025 0 40 HGAB COc1cccc(Nc2nnc(SCc3cc(=O)n4nc(C)sc4n3)s2)c1 40119283 PFSLBNHCRDGYNY-UHFFFAOYSA-N 418.529 3.355 0 40 HGAB Cn1cc(C(=O)C[C@@H]2CCCN2C(=O)c2nccnc2Sc2ccccc2)cn1 571323051 LEMDVNLYBVZFAI-INIZCTEOSA-N 407.499 3.239 0 40 HGAB CC(C)C(=O)Nc1nnc(S(=O)(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)s1 225748019 VJVHCJYKXGTJAW-GFCCVEGCSA-N 410.565 3.470 0 40 HGAB COc1ccc([C@H](NC(=O)[C@H](NC(=O)c2ccccc2)C(C)C)c2nccn2C)cc1 48341210 YOJKVFAGYCLAIY-RTWAWAEBSA-N 420.513 3.089 0 40 HGAB COc1cccc(CNC(=O)c2nc3c(s2)CCN(C(=O)c2ccccc2)CC3)c1 96146942 ISDYLZGRVRGJAA-UHFFFAOYSA-N 421.522 3.323 0 40 HGAB COc1ccc(C=c2sc3nc(-c4ccccc4Br)nn3c2=O)cc1 254532710 JPHFQMAHCVPRRP-UHFFFAOYSA-N 414.284 3.137 0 40 HGAB COc1ccc(CCC(=O)N2CCC(c3cncc(Nc4ncccn4)n3)CC2)cc1 257236839 HDZYGVCBFATBKH-UHFFFAOYSA-N 418.501 3.358 0 40 HGAB Cc1ccc(Cl)c(OC[C@@]2(O)CCCN(CC(=O)NCc3ccc(F)cc3)C2)c1 585272111 FSGQOKLUWRQMGT-JOCHJYFZSA-N 420.912 3.310 0 40 HGAB O=C(C1CCN(C(=O)[C@@H]2CC(c3ccc(Cl)s3)=NO2)CC1)N1CCCCC1 55008059 HZPQACOHZDTGTQ-HNNXBMFYSA-N 409.939 3.146 0 40 HGAB Cc1cc(C)n(C[C@@H](C)C(=O)Nc2ccc([C@H]3NC(=O)c4cccnc4N3C)cc2)n1 72347416 UDQSTYWCRPBKAB-VLIAUNLRSA-N 418.501 3.048 0 40 HGAB Cc1nn(CC(=O)NC2(c3ccc4c(c3)OCO4)CCCC2)c(=O)c2ccccc12 12155602 VMKWVWVDNZDHKE-UHFFFAOYSA-N 405.454 3.019 0 40 HGAB O=C(NCCCN1CCc2ccccc21)c1ccccc1I 13647172 PTKAIABHAZOJEE-UHFFFAOYSA-N 406.267 3.474 0 40 HGAB CC(=O)N1CCc2cc(S(=O)(=O)NCCOc3ccc4ccccc4c3)ccc21 15362130 KEXGFBHGYMXKBM-UHFFFAOYSA-N 410.495 3.106 0 40 HGAB CCOc1cc(CN2CC[C@@H](c3cc(=O)[nH]c(-c4ccncc4)n3)C2)ccc1OC 19531906 DJQCRVSTTDXOAY-GOSISDBHSA-N 406.486 3.229 0 40 HGAB COC[C@H](C)N(Cc1ccccc1F)S(=O)(=O)c1c(C)nn(C(F)F)c1C 19577586 ICHSPKWNIHXXMU-NSHDSACASA-N 405.442 3.260 0 40 HGAB C[C@H](c1cc(=O)[nH]c(NCc2ccc(Cl)cc2)n1)n1ncc2ccccc2c1=O 19717468 LAVPGKMANPXOTL-CYBMUJFWSA-N 407.861 3.355 0 40 HGAB CCOC(=O)[C@H]1C(=O)N(CCCOC)c2nc3ccccc3n2[C@@H]1c1ccccc1 19818311 SGKATOWAFCBFRZ-WOJBJXKFSA-N 407.470 3.188 0 40 HGAB CC(C)N1CCc2c(O)nc(C3CCN(C(=O)[C@H](C)c4ccccc4)CC3)nc2C1 19448441 YQONDVWXRZNWFT-QGZVFWFLSA-N 408.546 3.458 0 40 HGAB CCCOc1ccc(N2C(=O)C[C@H](Nc3cc(NC(C)=O)ccc3OC)C2=O)cc1 6831278 LDBLQRYEFFGCQD-IBGZPJMESA-N 411.458 3.186 0 40 HGAB CS(=O)(=O)NCCc1ccc(C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)cc1 12894287 XYOUKUSDRCNVEF-UHFFFAOYSA-N 416.499 3.072 0 40 HGAB Cc1ccc(-c2nnc(CCC(=O)N3CCC[C@H]3c3nnc4ccccn34)o2)cc1 31505501 QJRYUWPCYBTCFZ-KRWDZBQOSA-N 402.458 3.384 0 40 HGAB O=S(=O)(c1c(F)cccc1F)N1CCC[C@](O)(COc2ccc(F)cc2)CC1 2037912046 DQTMOODTGMTHEG-LJQANCHMSA-N 415.433 3.089 0 40 HGAB Cc1cccc(-n2nc3c(c2NC(=O)Cc2ccc(F)cc2)CS(=O)(=O)C3)c1C 3009566 QDCLUKMNMUPHDM-UHFFFAOYSA-N 413.474 3.238 0 40 HGAB O=C(COc1coc(CN2CCc3ccccc32)cc1=O)N1CCc2ccccc21 4304324 HEJVCITZAZPFNW-UHFFFAOYSA-N 402.450 3.171 0 40 HGAB O=C(NCCCc1ccccc1)C(=O)NC[C@@H](c1ccco1)N1CCc2ccccc21 5152803 BVQSJNPDVFIUGQ-QFIPXVFZSA-N 417.509 3.249 0 40 HGAB CCCOc1ccc(-c2csc(NC(=O)[C@@H]3CCCCN3S(C)(=O)=O)n2)cc1 13792404 WDFSTIOBBVXBDL-KRWDZBQOSA-N 423.560 3.352 0 40 HGAB CCn1/c(=N/C(=O)c2ccc(N3C(=O)CCC3=O)cc2)sc2cc(F)cc(F)c21 100893794 RXAWDYDRNLTAEL-ATJXCDBQSA-N 415.421 3.395 0 40 HGAB O=C(c1ccc2nsnc2c1)N1[C@H]2CC[C@H]1CC(S(=O)(=O)c1ccccc1)C2 101323085 VRTMVKRBNOOQDU-GJZGRUSLSA-N 413.524 3.301 0 40 HGAB Cc1nn(CCNC(=O)CCS(=O)(=O)c2ccccc2)c(C)c1-c1ccsc1 575614815 JFTJALUBKNCRDX-UHFFFAOYSA-N 417.556 3.209 0 40 HGAB CCOC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1NC(=O)c1cc(C)cc(C)c1 13010270 HUOAYSQHPKVCSM-UHFFFAOYSA-N 409.417 3.417 0 40 HGAB O=C(CS[C@@H]1CC(=O)N(CCc2ccccc2)C1=O)Nc1cccc(Cl)c1 1058543 MDZGHORSARKELZ-QGZVFWFLSA-N 402.903 3.382 0 40 HGAB CC(C)C(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3cccs3)cc2)CC1 1105202 QGRGEFPWFNSKTQ-UHFFFAOYSA-N 416.572 3.180 0 40 HGAB Cc1ccc(Cl)cc1NC(=O)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 1324757 GLSFCXWEYJQDMD-MRXNPFEDSA-N 408.907 3.358 0 40 HGAB COc1ccc(CCNC(=O)COc2ncnc3ccc(Br)cc23)cc1 2630427 NBJVZOIVLLNHSL-UHFFFAOYSA-N 416.275 3.139 0 40 HGAB NS(=O)(=O)c1ccc(CCNC(=O)CSc2ccc(Cl)cc2Cl)cc1 3232060 VUGKKQRDAWCRIZ-UHFFFAOYSA-N 419.355 3.092 0 40 HGAB CCC[C@](C)(O)[C@H]1C[C@@]23C=C[C@]1(OC)[C@@H]1Oc4c(O)ccc5c4[C@@]12CCN(C)[C@@H]3C5 4102214 CAHCBJPUTCKATP-NNFUYEGGSA-N 411.542 3.164 0 40 HGAB in-man Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC34CC5CC(CC(C5)C3)C4)CC2)cc1 4240213 WPXOWTCZYYGISR-UHFFFAOYSA-N 416.587 3.481 0 40 HGAB CCn1c(C)cc2c(c1=O)[C@@H](c1ccc(C(F)(F)F)cc1)C(C(=O)OC)=C(N)O2 4570616 BJEYKPLYKDWLPK-CQSZACIVSA-N 408.376 3.063 0 40 HGAB CCCCOCCCNC(=O)[C@@H](C(=O)c1ccc(F)cc1)n1cc(C)ccc1=O 4700650 KRCIRJTVOOOQLS-HXUWFJFHSA-N 402.466 3.043 0 40 HGAB CCOc1ccc2[nH]c(=O)c(CN(CCOC)C(=O)NC3CCCCC3)cc2c1 4861307 OJFOBLQNPPHDDV-UHFFFAOYSA-N 401.507 3.418 0 40 HGAB Cc1ccc(NC(=O)C[S@](=O)CC(=O)NCCCc2ccccc2)cc1Cl 4895448 UGJOCIWDCPDIPG-MHZLTWQESA-N 406.935 3.085 0 40 HGAB aggregator O=C(NCCc1ccccc1)[C@H](c1ccccc1)N(C(=O)c1csnn1)C1CC1 4964961 HPVAJDYQIPOJDK-FQEVSTJZSA-N 406.511 3.243 0 40 HGAB CC(C)COc1ccc(C(=O)N[C@H](CC(=O)N2CCOCC2)c2ccccc2)cc1 5274139 COPYNMZOYKCUHD-JOCHJYFZSA-N 410.514 3.441 0 40 HGAB CC[C@H](C)[C@H](NC(=O)N1CCn2c1nc1ccccc12)C(=O)NCc1ccccc1 5484524 HPSDOOQWEJGBAY-JXFKEZNVSA-N 405.502 3.297 0 40 HGAB Cc1cc(C)c(S(=O)(=O)Nc2ccc(Cl)cc2)c(C)c1N(C)S(C)(=O)=O 5554170 UWJMEBYGABVQCQ-UHFFFAOYSA-N 416.952 3.462 0 40 HGAB O=C(Nc1ccnn1Cc1cccs1)c1ccc(S(=O)(=O)N2CCCC2)cc1 7793891 BCHMFULVJNWVKH-UHFFFAOYSA-N 416.528 3.030 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)/C=C/c3ccccc3Cl)CC2)cc1 7803756 LSLMQPIVERERNW-DHZHZOJOSA-N 404.919 3.195 0 40 HGAB O=C(COC(=O)[C@H]1[C@H]2C(=O)O[C@@H]3C[C@H]1C[C@H]23)Nc1ccc(Oc2ccccc2)cc1 7939646 ACFDMYMSKKOQBJ-RRSYIIAMSA-N 407.422 3.158 0 40 HGAB biogenic CCN(CC)S(=O)(=O)c1ccc(OC)c(NCC(=O)N[C@H](C)c2ccccc2)c1 7975790 MVNMFDCDQOHJOF-MRXNPFEDSA-N 419.547 3.015 0 40 HGAB CC(C)(C)c1ccc(CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 8240424 GBNMGVFAOWFNEJ-UHFFFAOYSA-N 414.571 3.450 0 40 HGAB O=C1CCCN1c1ccc(C2=NN=C(NCc3ccc4c(c3)OCO4)SC2)cc1 8316165 VXAVBDVJHUUMEC-UHFFFAOYSA-N 408.483 3.139 0 40 HGAB C[C@@H]1CCCC[C@H]1NC(=O)COC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 8928971 BSZNSQKJJPHZPZ-FOIQADDNSA-N 420.465 3.339 0 40 HGAB COc1ccc(C(=O)Nc2cccc(C(C)=O)c2)cc1S(=O)(=O)NC1CCCC1 8986906 KNIHSQCKJFYKTD-UHFFFAOYSA-N 416.499 3.371 0 40 HGAB O=c1[nH]nc(Sc2ncnc3sc4c(c23)CCCCC4)n1C[C@@H]1CCCO1 9119940 OCKGRRKBPZIHPO-NSHDSACASA-N 403.533 3.175 0 40 HGAB CCn1c(CNC(=O)c2ccco2)nnc1SCC(=O)Nc1cccc(Cl)c1 9305389 DHRJAHPZIDJCMS-UHFFFAOYSA-N 419.894 3.205 0 40 HGAB COC(=O)c1c(NC(=O)c2ccc(NS(C)(=O)=O)c(C)c2)sc2c1CCCC2 10112986 XQRQVKWCVDWOAX-UHFFFAOYSA-N 422.528 3.346 0 40 HGAB O=C(COC(=O)CCS(=O)(=O)c1ccc(Cl)cc1)Nc1cccc(Cl)c1 10317686 RLEYCYPQDFJSBO-UHFFFAOYSA-N 416.282 3.339 0 40 HGAB CC(=O)Nc1ccc(C(=O)[C@@H](C)OC(=O)c2cc(S(C)(=O)=O)ccc2Cl)cc1 11310651 BDDPMKUDRAHWHN-LLVKDONJSA-N 423.874 3.130 0 40 HGAB Cc1ccc(C(=O)NC2CCN(C(=O)c3ccco3)CC2)cc1NC(=O)c1ccco1 11529143 ZJYTWYYZUVODOX-UHFFFAOYSA-N 421.453 3.468 0 40 HGAB COCCCn1c(SCC(=O)N(C)Cc2ccc(C)o2)nc2ccccc2c1=O 11550789 DUBOLXREDCYEHI-UHFFFAOYSA-N 415.515 3.085 0 40 HGAB COc1ccc(C(=O)N2CCN(c3ccc(-c4ccc(C)cc4)nn3)CC2)cc1OC 11695236 GUNSUXBMVBDLBW-UHFFFAOYSA-N 418.497 3.432 0 40 HGAB O=C(CSc1nc(C2CCCC2)n[nH]1)NC(=O)NC12CC3CC(CC(C3)C1)C2 12103794 QIGSZRCZSKXGIT-UHFFFAOYSA-N 403.552 3.349 0 40 HGAB COCCN(C(=O)c1cc(C(C)C)no1)c1nc2c(s1)CCc1c-2cnn1C 12146095 HUNHNGMDLPXUCX-UHFFFAOYSA-N 401.492 3.047 0 40 HGAB Cc1ccc(-c2nnn(CC(=O)N[C@H](C)c3nc4ccccc4n3C(F)F)n2)cc1 12544613 DKWHZRFPPXWQKJ-CYBMUJFWSA-N 411.416 3.271 0 40 HGAB COc1ccc(C(=O)N2CCN(C(=O)CCCc3c[nH]c4ccccc34)CC2)cc1 13683221 CDYKIGUIPZMFNQ-UHFFFAOYSA-N 405.498 3.484 0 40 HGAB O=C(NCc1cc(Cl)c2c(c1)OCCCO2)C1CCN(C(=O)c2ccco2)CC1 14138965 AHBNVQBKWPLKFG-UHFFFAOYSA-N 418.877 3.263 0 40 HGAB C[C@@H](C1CC1)N(CC(F)(F)F)C(=O)COC(=O)c1ccc(NC(=O)C2CC2)cc1 14201653 NCKSEKJKJPELAC-LBPRGKRZSA-N 412.408 3.381 0 40 HGAB COc1ccc(/C=C/c2nc3s/c(=C\c4ccc(F)cc4)c(=O)n3n2)cc1OC 16742055 JXCFFOWAOHDSDJ-AWTFBBCTSA-N 409.442 3.025 0 40 HGAB Cc1ccc(S(=O)(=O)N(C[C@@H](O)CN2CCCCC2)c2ccc(F)cc2)cc1 16839632 FQJAXHFBNOQLSD-FQEVSTJZSA-N 406.523 3.176 0 40 HGAB N[C@@H](CSC(c1ccccc1)(c1ccc(CO)cc1)c1ccc(CO)cc1)C(=O)O 16954832 DMUWUCHXRLLLKO-QFIPXVFZSA-N 423.534 3.108 0 40 HGAB CC(=O)c1cccc(NC(=O)C2CCC(Cn3c(=O)[nH]c4ccccc4c3=O)CC2)c1 17044064 RGPIDACNYYWHLQ-UHFFFAOYSA-N 419.481 3.338 0 40 HGAB Cn1cc(C(=O)Nc2cccc(F)c2)c2[nH]c(=O)n(-c3ccc(Cl)cc3)c(=O)c21 17149062 ZCNUWTQDOVZQLF-UHFFFAOYSA-N 412.808 3.062 0 40 HGAB Cc1ccc2c(CC(=O)N3CC[C@@H](c4nnc(-c5cnc(C)cn5)o4)C3)coc2c1 19221599 SFGDOPJHYHMUDC-OAHLLOKOSA-N 403.442 3.448 0 40 HGAB C[C@H](CC(=O)NC1CCN(Cc2cc(-c3ccc(F)cc3)nn2C)CC1)n1ccnc1 19455462 MCXQUWZEPBJFBE-QGZVFWFLSA-N 424.524 3.155 0 40 HGAB COc1ccccc1CN1CCC(c2cc(C(=O)NCc3cccnc3)on2)CC1 19570149 IJGISUUOYNBCKK-UHFFFAOYSA-N 406.486 3.388 0 40 HGAB CCS(=O)(=O)c1ccccc1C(=O)Nc1cccc(I)c1 19679565 PXIKEMMUZTWRTA-UHFFFAOYSA-N 415.252 3.337 0 40 HGAB COc1ccc2c(c1)c(C[C@H](C)NC(=O)c1ccc(N3CCOCC3)cc1)cn2C 19717124 YDNFIIFDRSECKW-KRWDZBQOSA-N 407.514 3.385 0 40 HGAB CC(C)[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CCc2[nH]c3ccccc3c2C1 21469303 KXTVGCOWYSKZPZ-IBGZPJMESA-N 417.556 3.117 0 40 HGAB CC(C)N(C(=O)[C@@H](C)Sc1nnc([C@H]2COc3ccccc3O2)n1C)C(C)C 21603251 WFZWJZGVZCMYIR-RHSMWYFYSA-N 404.536 3.454 0 40 HGAB CC(C)Oc1ccc(N(CC(=O)NCc2ccc(Cl)cc2)S(C)(=O)=O)cc1 22385144 DVQDHFVNIQFORC-UHFFFAOYSA-N 410.923 3.210 0 40 HGAB COc1ccc(S(=O)(=O)NCCSc2ccc(C)cc2)cc1N1CCCC1=O 22525624 SKGADAHQYQHZAV-UHFFFAOYSA-N 420.556 3.201 0 40 HGAB COc1ccc(-c2noc(CN3CCN(C(=O)/C=C/c4ccccc4C)CC3)n2)cc1 22604025 RPILGYGERFVHCU-FMIVXFBMSA-N 418.497 3.411 0 40 HGAB O=S(=O)(NC[C@@H](c1ccsc1)N1CCOCC1)c1ccc2ccccc2c1 22767287 IRPMHPVBJJCPLZ-FQEVSTJZSA-N 402.541 3.253 0 40 HGAB COC(=O)C[C@H](NC(=O)CCn1c(=O)oc2cc(Cl)ccc21)c1ccc(C)cc1 23873605 ZQOARFDKDPFBHG-INIZCTEOSA-N 416.861 3.367 0 40 HGAB Cc1cc(C(=O)CCC(=O)NCc2ccccc2CN2CCOCC2)c(C)s1 23956483 FTFGSNQMSSLSNG-UHFFFAOYSA-N 400.544 3.476 0 40 HGAB CCC(CC)c1nnc(NC(=O)c2cc(S(=O)(=O)NC3CC3)ccc2C)s1 24928557 RDKWYVAKQHQINJ-UHFFFAOYSA-N 408.549 3.443 0 40 HGAB CCC[C@@H](NC(=O)[C@@H](C)Sc1ccc(S(=O)(=O)N(C)C)cn1)c1ccccc1 24939130 PLDMPKZTVKJAKC-CRAIPNDOSA-N 421.588 3.470 0 40 HGAB COCCCn1c(SCCn2c(=O)oc3ccccc32)nc2ccccc2c1=O 26014376 YQLNUFKKMBXUDD-UHFFFAOYSA-N 411.483 3.133 0 40 HGAB Cc1cc(NC(=O)CN(C)CC(=O)Nc2cccc(C)c2C)n(-c2ccc(F)cc2)n1 31300998 KIRYROUURDYSGU-UHFFFAOYSA-N 423.492 3.446 0 40 HGAB CS(=O)(=O)Nc1cccc(NC(=O)C2CCN(c3nc4ccccc4o3)CC2)c1 31980905 VGYNJHYYUSHMEI-UHFFFAOYSA-N 414.487 3.054 0 40 HGAB CCN1CCN(c2ccc(NC(=O)CCNC(=O)NC3CCCCC3)c(C)c2)CC1 32410879 UFFOEWXOPOGDJX-UHFFFAOYSA-N 415.582 3.097 0 40 HGAB O=S1(=O)C[C@H]2N=C(SCCOc3ccccc3)N(c3ccc(F)cc3F)[C@@H]2C1 32640643 ZAEHPXWIIWFJTB-SJLPKXTDSA-N 424.494 3.119 0 40 HGAB COCCn1c(SCC(=O)c2ccc3c(c2)CCC(=O)N3)nnc1-c1ccccc1 32719062 XTMRFTUFFKGXHA-UHFFFAOYSA-N 422.510 3.451 0 40 HGAB Cc1ccnn1C[C@H](C)CNC(=O)c1cc(-c2ccc(Cl)cc2)nc2ncnn12 36618892 IJBWSCWVAJIAAT-CYBMUJFWSA-N 409.881 3.016 0 40 HGAB O=C(NC[C@@H](c1ccco1)N1CCCC1)[C@@H]1CCCN(C(=O)Cc2ccccc2)C1 40073660 VZYAGPDZRUHWAF-RTWAWAEBSA-N 409.530 3.014 0 40 HGAB Cc1ccc(CN2CCCN(C(=O)[C@H](C)NC(=O)/C=C/c3ccccc3)CC2)cc1 40086997 KHAYMRJBLBCRSE-ARKBFRDHSA-N 405.542 3.247 0 40 HGAB Cc1ccc(-c2nc(C)c(C(=O)NCCS(=O)(=O)Cc3ccccc3)s2)o1 40154337 BBEVHVAALUEZLN-UHFFFAOYSA-N 404.513 3.365 0 40 HGAB CCOc1ccc(-c2ccc(=O)n(Cc3nc(-c4cccc(OC)c4)no3)n2)cc1 44166098 BBCLBGFVYHZSLX-UHFFFAOYSA-N 404.426 3.416 0 40 HGAB CC(=O)c1ccc(NC(=O)Cn2nc3ccc(-c4ccc(C)c(C)c4)nn3c2=O)cc1 49399274 XRRIRFNUYHGJNE-UHFFFAOYSA-N 415.453 3.016 0 40 HGAB COc1ccc(Cc2nnc(NC(=O)c3cn(C)c(=O)c4ccccc34)s2)cc1 61720856 QCVYEDAXKBKSTC-UHFFFAOYSA-N 406.467 3.242 0 40 HGAB CCCCN1C(=O)c2ccccc2[C@H](C(=O)N2CCC(C(N)=O)CC2)C12CCCC2 71281586 QRJAVTUSKVAKPT-HXUWFJFHSA-N 411.546 3.063 0 40 HGAB Cc1nn(CCNC(=O)C[C@H](C)n2nc(C)c(Br)c2C)c(C)c1Cl 71415977 JPPOICSXUGXTCC-VIFPVBQESA-N 416.751 3.497 0 40 HGAB CC(=O)NCc1cnc([C@@H]2CCCN2C(=O)c2scnc2C)cc1C(F)(F)F 72356180 NPYYXLJPRSNSGM-HNNXBMFYSA-N 412.437 3.479 0 40 HGAB CCc1ccc(NC(=O)N2CC[C@H]3[C@@H](CC2)S(=O)(=O)CCN3CC(C)C)cc1 96251559 VKTGLVMSBYDZHP-VQTJNVASSA-N 407.580 3.000 0 40 HGAB COc1ccc(NC(=O)C2CCC(N3C(=O)[C@H]4[C@@H]5C=C[C@@H]([C@H]6C[C@H]56)[C@@H]4C3=O)CC2)cc1 102531048 WGQUNETUWVJFID-KPOFOZQVSA-N 420.509 3.246 0 40 HGAB CS(=O)(=O)N(CC(=O)Nc1ccccc1Br)c1ccc(F)cc1F 220079969 FMJBABHFNVCCHA-UHFFFAOYSA-N 419.247 3.132 0 40 HGAB Cc1ccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1N(C)S(C)(=O)=O 222454336 KSHTUTQMSWUZGS-UHFFFAOYSA-N 421.950 3.007 0 40 HGAB CSc1nnc(NC(=O)CCCN(c2ccc(C)c(C)c2)S(C)(=O)=O)s1 223341778 ITZOFHHWIMPMOE-UHFFFAOYSA-N 414.578 3.062 0 40 HGAB CCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)COc1ccc(F)cc1 225006927 KBHJPSXHMFSERP-MRXNPFEDSA-N 402.466 3.157 0 40 HGAB CNC(=S)Nc1nc(N2Cc3ccccc3C2)cc(N2Cc3ccccc3C2)n1 225879866 DEOORYIAMKMGHT-UHFFFAOYSA-N 402.527 3.433 0 40 HGAB COc1ccc([C@@H](C)NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)cc1 226082599 MKHPAVIEJSBFHI-NVXWUHKLSA-N 420.506 3.112 0 40 HGAB O=C(N[C@H](c1cccnc1)C1CCOCC1)[C@H]1CCCN1c1nc2ccccc2o1 230171474 BLPMULVBZSGVJT-CTNGQTDRSA-N 406.486 3.476 0 40 HGAB C[C@H]1Cc2cc(CC(=O)N3[C@H]4CC[C@H]3CC(O)(c3ccc5c(c3)OCO5)C4)ccc2O1 253594141 OOPLUBGKBKSMEZ-YSSFQJQWSA-N 421.493 3.322 0 40 HGAB CN1CCCc2cc([C@H]3OCC[C@@]45C[C@@H](C[C@H]34)C(C)(C)[C@@H]5NC(=O)CCO)ccc21 257332780 XYPKUKNWCKLSRN-MVXHCJBISA-N 412.574 3.450 0 40 HGAB CCc1ccc([C@H](C)NC(=O)[C@H](C)Oc2ccc(N(C)S(C)(=O)=O)cc2)cc1 260845528 SPLQXLKYBVVKHL-HOTGVXAUSA-N 404.532 3.290 0 40 HGAB Cn1cc(-c2ccc3c(c2)[C@H]2CN(Cc4ccccc4Cl)C[C@H]2S3(=O)=O)cn1 306131743 KOMYDWULVMSYKN-WIYYLYMNSA-N 413.930 3.496 0 40 HGAB CC(C)CN1c2ccccc2C2(CCN(C(=O)Cc3ccco3)CC2)S1(=O)=O 306134737 NWTJXNRFZYRMKN-UHFFFAOYSA-N 402.516 3.146 0 40 HGAB Cc1ncsc1CN1CCO[C@]2(CCCC[C@H]2NC(=O)Cc2cccs2)C1 306143409 YBRFTXFXZHVXIY-UYAOXDASSA-N 405.589 3.386 0 40 HGAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)NC[C@H]3CCCO3)ccc2Cl)cc1 408547929 OPVSBLLNDCPXEF-MRXNPFEDSA-N 408.907 3.358 0 40 HGAB C[C@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1ccccc1C(=O)NCCc1ccccc1 408710150 QGANTHPKOKCPIK-PXNSSMCTSA-N 407.514 3.293 0 40 HGAB CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(s/c(=C\c3ccc(C)cc3)c2=O)=N1 409040991 ZMPRDIXPOLSZTH-LUDQZLGDSA-N 418.518 3.107 0 40 HGAB O=C([C@@H](c1ccccc1)N1CCc2ccccc21)N1CCC[C@@H](Cn2ccnn2)C1 505777132 FXLJLCGODMQMMS-AUSIDOKSSA-N 401.514 3.321 0 40 HGAB Cc1cc(C(=O)N2CCc3oc(C(=O)N4CCC(F)(F)CC4)nc3C2)ccc1F 585111615 DOBRNSNJXCNUTJ-UHFFFAOYSA-N 407.392 3.192 0 40 HGAB CS(=O)(=O)CC1CCN(C(=O)c2csc(Nc3cc(F)cc(F)c3)n2)CC1 1141362370 UOPWXUQOSPJQIT-UHFFFAOYSA-N 415.487 3.062 0 40 HGAB O=S(=O)(c1ccccc1OC(F)(F)F)N1[C@H]2CC[C@H]1CC(n1cccn1)C2 1565523146 GZFQPEOLDZZNDV-STQMWFEESA-N 401.410 3.339 0 40 HGAB CCOC(=O)CN1C(=O)S/C(=C\c2cc(Cl)c(O)c(Br)c2)C1=O 1150820 PENHAUUIMDHTLY-YHYXMXQVSA-N 420.668 3.408 0 40 HGAB CCOC(=O)C1=C(c2ccccc2)Nc2ncnn2[C@@H]1c1ccc(O)c(OCC)c1 2200439 RBTSIEDCAIBAAN-HXUWFJFHSA-N 406.442 3.372 0 40 HGAB O=C1CC[C@@H](C(=O)N(Cc2cccs2)C2(C(=O)NC3CCCC3)CCCCC2)N1 2457444 RAJSUQFVUJUCGD-SFHVURJKSA-N 417.575 3.117 0 40 HGAB Cc1ccc(S(=O)(=O)NCC(=O)OCc2csc(-c3ccccc3)n2)cc1 2647165 KLIWGRRCWNWNMM-UHFFFAOYSA-N 402.497 3.140 0 40 HGAB O=C(Nc1ccccc1N1CCOCC1)c1ccccc1I 3270382 LJKLNLDXSANBMF-UHFFFAOYSA-N 408.239 3.380 0 40 HGAB CC(C)[C@@H](NC(=O)c1c(F)cccc1F)C(=O)NC[C@H](c1ccccc1)N(C)C 3290527 JTVNYAMWDNPQQZ-UYAOXDASSA-N 403.473 3.138 0 40 HGAB Cc1ccccc1Nc1nc(N)nc(CSc2nc3ccccc3c(=O)n2C)n1 3423122 VPAURCWRJDEYSV-UHFFFAOYSA-N 405.487 3.045 0 40 HGAB Cc1cccc(N2CCN(C(=O)CCCN3C(=O)c4ccccc4C3=O)CC2)c1C 3552193 SPNCVTZOSWFXBY-UHFFFAOYSA-N 405.498 3.028 0 40 HGAB COCCCN1C(=O)c2ccc(C(=O)OCCOc3ccccc3Cl)cc2C1=O 3569391 PAIKYUYGMXDEKU-UHFFFAOYSA-N 417.845 3.208 0 40 HGAB CCc1c(C)nc2n(c1=O)[C@@H](CS(=O)(=O)c1ccc3ccccc3c1)CS2 4434150 CANVNWYGCNGOES-MRXNPFEDSA-N 400.525 3.388 0 40 HGAB CC1=C(C(N)=O)[C@@H](c2ccc(F)cc2)N2NC(SCc3ccccc3F)=NC2=N1 4574817 HNSNTOFJDVIKNP-QGZVFWFLSA-N 413.453 3.244 0 40 HGAB CCOC(=O)C1CCN(C(=O)CSc2nnc(Nc3ccc(C)cc3)s2)CC1 4868035 VVNAGUPNZXTZMC-UHFFFAOYSA-N 420.560 3.484 0 40 HGAB COC(=O)CCn1c(C)cc(C(=O)CSc2nncn2-c2ccccc2F)c1C 4891251 HBPKPKZVJANEJX-UHFFFAOYSA-N 416.478 3.363 0 40 HGAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CSc1cc(C)ccc1C 5019344 SWHSWBWZCQNVCD-UHFFFAOYSA-N 408.545 3.293 0 40 HGAB COc1cccc(-c2noc(COC(=O)C[C@H]3Sc4ccccc4NC3=O)n2)c1 5288947 OLSCGRYTELJBSZ-MRXNPFEDSA-N 411.439 3.292 0 40 HGAB Cc1cc(C)c(NC(=O)CNC(=O)COC(=O)Cc2c(F)cccc2Cl)c(C)c1 5508308 GHXGBIYCWUOCDB-UHFFFAOYSA-N 420.868 3.245 0 40 HGAB NCCC[C@@H](C(=O)O)N(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1 5706727 GPDVPIBLHRILLM-SFHVURJKSA-N 400.431 3.154 0 40 HGAB COc1ccc2c(COC(=O)c3cc(OC)c(OC)cc3OC)cc(=O)oc2c1 5834807 INOHJIFVMKKFEA-UHFFFAOYSA-N 400.383 3.184 0 40 HGAB CCCCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(OC)c(Cl)c2)C1 6050951 ADKJSROQNAUVOJ-CQSZACIVSA-N 402.944 3.056 0 40 HGAB CC(=O)Nc1ccc(SCC(=O)NC(=O)c2ccccc2Br)cc1 6560160 UVIFUMPUXYBFBQ-UHFFFAOYSA-N 407.289 3.456 0 40 HGAB CCCc1cc(=O)oc2c(C)c(O[C@H](C)C(=O)N[C@H](CC(C)C)C(=O)O)ccc12 6636460 YNEXZIKRUMLSIL-RHSMWYFYSA-N 403.475 3.437 0 40 HGAB biogenic Cn1nc(C(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)c2ccccc2c1=O 7408886 UWLMJBHMOMYXGF-UHFFFAOYSA-N 406.423 3.038 0 40 HGAB CCCC[C@@H](C(=O)OCC(=O)N[C@H](C)c1ccccc1)N1C(=O)c2ccccc2C1=O 8411236 PGAYRUMFXQWMAE-UZLBHIALSA-N 422.481 3.262 0 40 HGAB CCc1cccc(CC)c1N1C[C@H](C(=O)OCC(=O)Nc2cccc(OC)c2)CC1=O 8433806 YRCDHLTYALKKRR-GOSISDBHSA-N 424.497 3.355 0 40 HGAB CCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C)C(=O)C(C)(C)CO3)cc1F 9170267 JGJMYBHWMDEPQG-UHFFFAOYSA-N 422.478 3.407 0 40 HGAB CCn1c(CNC(=O)c2ccco2)nnc1SCc1nnc(-c2ccccc2)o1 9327625 BWXDJJGCSATBMG-UHFFFAOYSA-N 410.459 3.163 0 40 HGAB O=C(N[C@H]1CCOc2ccccc21)c1ccc(S(=O)(=O)NCc2ccco2)cc1 9834963 HNIRBNZMOJFILH-IBGZPJMESA-N 412.467 3.012 0 40 HGAB Nc1c(C(=O)CSc2ccc(Cl)c(C(F)(F)F)c2)c(=O)[nH]c(=O)n1C1CC1 10109616 IRLNOVVQDBZHEJ-UHFFFAOYSA-N 419.812 3.101 0 40 HGAB O=C(Cn1nnc2ccccc2c1=O)NC[C@H](c1ccccc1)c1c[nH]c2ccccc12 10697645 MLWMEJRNRSFMCK-HXUWFJFHSA-N 423.476 3.221 0 40 HGAB O=C(COc1ccc(F)c(Cl)c1)N1CCC[C@H](c2noc(-c3cnccn3)n2)C1 12187689 QOUQBWWBDSLYFO-LBPRGKRZSA-N 417.828 3.104 0 40 HGAB NC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(-c2cn3ccsc3n2)cc1 12754215 NHUITSSJROLQGO-QGZVFWFLSA-N 405.483 3.281 0 40 HGAB COc1ccc(CCC2CCN(C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)cc1 12760098 OTFNZKFCCSYUGQ-UHFFFAOYSA-N 417.531 3.219 0 40 HGAB CCc1ccc(CN(C)[C@@H](C)C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)cc1 13056041 WUVKBQCIVMOZGK-KRWDZBQOSA-N 417.575 3.267 0 40 HGAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCCN(C)C)ccc2Cl)c1C 13669617 FKZXXQUMFMHXTD-UHFFFAOYSA-N 409.939 3.049 0 40 HGAB COc1ccc(-c2cc(NC(=O)c3cccs3)n([C@@H]3CCS(=O)(=O)C3)n2)cc1 13683608 YEKMSCKOGXQFML-CQSZACIVSA-N 417.512 3.232 0 40 HGAB Cc1ccc(-n2nnc3c(N4CCN(C(=O)CC5CCCCC5)CC4)ncnc32)cc1 15883972 IKBJYDVSVTUDPP-UHFFFAOYSA-N 419.533 3.138 0 40 HGAB CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccc(Cl)cc1 15989406 OCNOXNDFOUNNFI-UHFFFAOYSA-N 424.906 3.012 0 40 HGAB O=C(CCCn1cncn1)N1CCc2onc(Nc3cccc(C(F)(F)F)c3)c2C1 19330768 QRQMEIWHTJGENN-UHFFFAOYSA-N 420.395 3.394 0 40 HGAB Nc1c(C(=O)[C@H]2CCCN2C(=O)CCCc2ccccn2)cnn1-c1ccc(F)cc1 19401313 GIFWVUDHHYICPL-HXUWFJFHSA-N 421.476 3.185 0 40 HGAB CC(C)c1ccccc1OCC(=O)N1CC[C@@H](c2cc(=O)[nH]c(-c3ccncc3)n2)C1 19453353 PURCLSUKKGTILD-GOSISDBHSA-N 418.497 3.350 0 40 HGAB COc1ccc(OC)c(CN2CCc3c(nc(C(C)C)nc3N3CCOCC3)C2)c1 19453679 PNRAWEOKAIDVEA-UHFFFAOYSA-N 412.534 3.012 0 40 HGAB COc1ccc(NC(=O)c2cnc([C@@H]3CCN(C(=O)c4ccccn4)C3)nc2C)cc1 19766076 BCPLKPOHFQEUJU-MRXNPFEDSA-N 417.469 3.071 0 40 HGAB CCc1ccc2[nH]c(C)c(CN3CCN(Cc4ccc5c(c4)OCO5)CC3)c(=O)c2c1 19793698 PSASNBSUHVPUIM-UHFFFAOYSA-N 419.525 3.445 0 40 HGAB COC(=O)c1cc2cc(NS(=O)(=O)c3ccc4nc(O)oc4c3)ccc2s1 19936501 VGFYLRRQWRUZSL-UHFFFAOYSA-N 404.425 3.336 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(F)c(F)c3)C2)cc1C 20016809 UGTKJUZKMNUQLW-CQSZACIVSA-N 424.469 3.321 0 40 HGAB CC[C@@H](C(=O)NCc1ccc(OC(C)C)cc1)N(c1ccc(F)cc1)S(C)(=O)=O 20461604 OBCHFBWCXVQYRK-FQEVSTJZSA-N 422.522 3.474 0 40 HGAB CN(CC(=O)Nc1nc2c(s1)CCCCC2)S(=O)(=O)c1ccc(Cl)s1 21902150 NTHHFCYCSYJODD-UHFFFAOYSA-N 419.981 3.386 0 40 HGAB CCOc1ccccc1N(CC(=O)N[C@@H](C)c1ccc(C)c(C)c1)S(C)(=O)=O 22333086 WIZXGAVUSLUELN-KRWDZBQOSA-N 404.532 3.346 0 40 HGAB Cn1ccc(C(=O)N(CCCN2CCOCC2)c2nc3c(Cl)cccc3s2)n1 23128153 XUNGLSJOHYNSDB-UHFFFAOYSA-N 419.938 3.052 0 40 HGAB O=C(N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1)C1CCN(C(=O)C2CC2)CC1 25033784 VVAOOUZOKMLELI-JOCHJYFZSA-N 402.498 3.417 0 40 HGAB COc1ccc([C@H](CNC(=O)[C@H](C)Sc2ccccc2)N2CCOCC2)cc1 27669961 JDUHDFYUQRGNQL-UWJYYQICSA-N 400.544 3.366 0 40 HGAB COc1ccc(CCN(C)C(=O)CCCN2C(=O)c3ccc(C)cc3C2=O)cc1OC 30778495 PQIVGPWSBKHJQH-UHFFFAOYSA-N 424.497 3.090 0 40 HGAB O=C(Nc1ccc(N2CCCC2)cc1)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 31302863 XDKFIYKOZUTPHL-INIZCTEOSA-N 419.572 3.388 0 40 HGAB O=C(Cn1cnc2ccccc2c1=O)Nc1ccc(-n2cccn2)cc1C(F)(F)F 32817219 ZDXHNAYVQAOMSD-UHFFFAOYSA-N 413.359 3.240 0 40 HGAB Cc1cccc(N2N=C(C(=O)Nc3ccc(C(=O)N4CCCC4)cc3)CCC2=O)c1 32906507 QGYDAKZSHGBHJM-UHFFFAOYSA-N 404.470 3.353 0 40 HGAB CC(C)(C)OC(=O)NC1CCN(S(=O)(=O)c2ccccc2OC(F)(F)F)CC1 32936912 GOTMZCLGVPABJX-UHFFFAOYSA-N 424.441 3.263 0 40 HGAB Cc1cc(C)n2ncc(C(=O)Nc3nc(-c4ccc5c(c4)OCCO5)cs3)c2n1 40069165 ZJJXZOPYQBTJCB-UHFFFAOYSA-N 407.455 3.493 0 40 HGAB Cc1cc2nc(COc3ccc(NC(=O)COc4ccccc4)cc3)cc(=O)n2o1 41085677 XMVLBUARGIXARH-UHFFFAOYSA-N 405.410 3.192 0 40 HGAB Cn1cccc1-c1csc(NC(=O)C2=NN(Cc3ccc(F)cc3)C(=O)CC2)n1 44519410 KTOBKXYUYPPTGO-UHFFFAOYSA-N 411.462 3.405 0 40 HGAB O=C(Cc1cccc(F)c1)Nc1nc2ccc(S(=O)(=O)N3CCCC3)cc2s1 46445913 HBPBQBAJQCLCTK-UHFFFAOYSA-N 419.503 3.401 0 40 HGAB CC(C)C(=O)NC1CCN(Cc2cc(=O)n3c(-c4ccccc4)csc3n2)CC1 48290850 FUFGIOCIRDGTNF-UHFFFAOYSA-N 410.543 3.160 0 40 HGAB CCOc1ccc(-c2cc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)n[nH]2)cc1 51315727 ZZPOEQYPHOTJRH-UHFFFAOYSA-N 400.479 3.168 0 40 HGAB COc1ccc(OCc2nc(C)cc(=O)n2CC(=O)Nc2ccc(C)cc2C)cc1 51319378 WVRGABLXIOPHEN-UHFFFAOYSA-N 407.470 3.395 0 40 HGAB O=C(Nc1cnn(Cc2ccccc2)c1)[C@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 58158310 JVEDLRDXXMWGEI-FQEVSTJZSA-N 400.482 3.412 0 40 HGAB COc1ccc(OC)c(-c2cc(C(=O)NCc3ccc(OCC4CC4)nc3)no2)c1 60323810 ASCUTYPEJXQKQR-UHFFFAOYSA-N 409.442 3.473 0 40 HGAB COC(=O)c1[nH]c2cccc(C)c2c1NC(=O)CN1CCN(c2ccc(F)cc2)CC1 61943447 ZFOHDCKIVRTJGG-UHFFFAOYSA-N 424.476 3.163 0 40 HGAB O=C1CN(CCC2=CCCCC2)[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(Cl)c1 63376339 XLHJQCZCIDORPS-MOPGFXCFSA-N 408.951 3.045 0 40 HGAB CCOc1ccc(NC(=O)Cn2nnc(C(=O)Nc3ccccc3CC)c2C)cc1 71327391 ARJVBAHRQSKDIE-UHFFFAOYSA-N 407.474 3.439 0 40 HGAB COc1cc2c(cc1OC)[C@H]1c3ccccc3N(CC(=O)NC(C)C)C(=O)N1CC2 72342061 KLVARTJBBBGADF-JOCHJYFZSA-N 409.486 3.116 0 40 HGAB O=C([C@@H]1CCCO1)N1CCC[C@@H](c2nc(N3CCCC3)ncc2-c2cccnc2)C1 72347992 MFLQWYOOOHOELX-QUCCMNQESA-N 407.518 3.024 0 40 HGAB O=C(CN1CC[C@@H](c2cc(CCOc3ccc(C(F)(F)F)cc3)[nH]n2)C1)N1CCC1 72371751 JAJRHZXEZKNVOL-OAHLLOKOSA-N 422.451 3.072 0 40 HGAB Cc1ccc(-n2ncc(C(=O)NCc3nnc(C(C)C)n3C)c2C(F)(F)F)cc1 95467355 UDDGYHKYEDEVEQ-UHFFFAOYSA-N 406.412 3.381 0 40 HGAB COc1ccc(N2CCC[C@H](C(=O)NCCSc3ccc(Cl)cc3)C2)nn1 96231380 ICWSXPSUDSABSH-AWEZNQCLSA-N 406.939 3.264 0 40 HGAB CCN1CC2(CCN(C(=O)c3ccsc3)CC2)COc2ccccc2S1(=O)=O 97952909 FQFNVQFUNLHOPD-UHFFFAOYSA-N 420.556 3.074 0 40 HGAB COc1ccc2c(c1)[C@@H](CCNC(=O)C1(c3cccc(C)c3)CCOCC1)C(=O)N2 100782225 ZUXAGMKMUXKJFQ-LJQANCHMSA-N 408.498 3.294 0 40 HGAB CCOc1ccccc1CCCNC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 219695760 GZWVUKKWXKYCHE-UHFFFAOYSA-N 424.950 3.108 0 40 HGAB CCOc1ccccc1CCCNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 219977238 LAVWKEWKVFIMIT-UHFFFAOYSA-N 416.543 3.232 0 40 HGAB CCOc1ccc(N(CC(=O)Nc2ccc(N3CCCC3)cc2)S(C)(=O)=O)cc1 224904601 RXDGHPYPUKIILG-UHFFFAOYSA-N 417.531 3.090 0 40 HGAB CCOC(=O)CN(c1ccc(F)c(F)c1)S(=O)(=O)c1ccc(SC)cc1 224990881 FUQSYIWVCHXMIR-UHFFFAOYSA-N 401.456 3.445 0 40 HGAB CC(C)(Cc1ccccc1)NC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1 225479485 JYJSPXQUCJPXGU-UHFFFAOYSA-N 406.573 3.286 0 40 HGAB Cn1cnc(S(=O)(=O)N2CCCC[C@@H]2c2ncc(Cc3ccc(F)cc3)o2)c1 257228757 FVCOYNHKUCLEDZ-QGZVFWFLSA-N 404.467 3.054 0 40 HGAB Cc1ccc(N([C@H](C)C(=O)NCc2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1 260746517 YHIGWKQQGDOOGW-CQSZACIVSA-N 414.449 3.485 0 40 HGAB FC(F)(F)c1ccnc(N2CC[C@@]3(COCc4sc(N5CCCC5)nc43)C2)n1 306126593 DZUISJIJQJWNFH-KRWDZBQOSA-N 411.453 3.230 0 40 HGAB CCN(CC)C(=O)C(=O)c1cn(CC(=O)NCc2ccccc2F)c2ccccc12 408571062 NENRMCPGKNACEM-UHFFFAOYSA-N 409.461 3.148 0 40 HGAB C[C@@H](NC(=O)COC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1)c1ccccc1 408653843 FZKNTJSOCWOCBB-ZBFHGGJFSA-N 400.862 3.114 0 40 HGAB O=C(N[C@@H]1C(=O)N/[N+](=C\c2ccc(F)cc2)[C@@H]1c1ccc(Cl)cc1)c1ccccc1 409054748 BHBCFOGLJUCSFE-IQUGWNQFSA-O 422.867 3.495 0 40 HGAB O=C(c1ccc2[nH]c(=O)c(=O)[nH]c2c1)N1CCC[C@H](c2cccc(C(F)(F)F)c2)C1 557408920 NTMGIYVHGDBLMP-AWEZNQCLSA-N 417.387 3.255 0 40 HGAB O=C(c1c[nH]c2ccccc12)N1CCC[C@H](Oc2ncc(Br)cn2)C1 575613808 UXBCEJPVIHXUEU-ZDUSSCGKSA-N 401.264 3.404 0 40 HGAB Cc1c(Cl)cccc1S(=O)(=O)N1CC[C@H](Oc2cnc3ccccc3n2)C1 618254557 BAVMIMCURYGTSR-AWEZNQCLSA-N 403.891 3.434 0 40 HGAB O=C(c1ccccn1)N1CCCCC2(CO)CCN(CC2)Cc2ccccc2OCC1 643575273 NQTIPBIZMWMEFK-UHFFFAOYSA-N 423.557 3.361 0 40 HGAB Cc1nccn1[C@H]1C[C@H]2CN(Cc3cccc(O)c3)C[C@H]2C[C@@H]1Oc1cnccn1 2332242547 ROSXKEVEGVYKAV-MXNKGDRCSA-N 405.502 3.218 0 40 HGAB Cn1c(=O)[nH]c(=O)c2c1nc(SCc1ccccc1)n2Cc1ccccc1Cl 854394 KRLVRBYZPHXKAR-UHFFFAOYSA-N 412.902 3.417 0 40 HGAB CCOc1ccc2[nH]c(=O)c(CN(C[C@H]3CCCO3)C(=S)NCC(C)C)cc2c1 879457 ZFYNZCOVCGGJEV-LJQANCHMSA-N 417.575 3.438 0 40 HGAB Cc1cc(OCc2nnc(SCC(N)=O)n2Cc2ccccc2)ccc1Cl 916389 KYWFHIJDHKWFHL-UHFFFAOYSA-N 402.907 3.445 0 40 HGAB COc1ccccc1N1CCN(C(=O)CSc2nnc(-c3ccoc3C)o2)CC1 1356128 YZBGMCRGUVPUHK-UHFFFAOYSA-N 414.487 3.088 0 40 HGAB CCOC(=O)[C@@](O)(c1ccc(NC(=O)c2cccs2)c(OC)c1)C(F)(F)F 2272460 WKVXVRHXRWACBW-INIZCTEOSA-N 403.378 3.322 0 40 HGAB COc1ccc(C(=O)NC(=S)Nc2sc3c(c2C(N)=O)CC[C@H](C)C3)cc1 2316333 HEDITWRIGPECNA-JTQLQIEISA-N 403.529 3.107 0 40 HGAB Cc1cccc(C)c1Nc1nnc(SCC(=O)NCCCN2CCCC2=O)s1 2645077 PXSZSGWQRUABOZ-UHFFFAOYSA-N 419.576 3.119 0 40 HGAB O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2cccc(I)c2)N1 3173952 PUGCTTMHYQKTNT-HOTGVXAUSA-N 418.234 3.461 0 40 HGAB O=C(Nc1cccc(F)c1)[C@@H]1CCCCN1S(=O)(=O)c1cccc2nsnc12 3219619 AIXAHINTJBTFAZ-HNNXBMFYSA-N 420.491 3.012 0 40 HGAB CN(CC(=O)OCC(=O)c1ccc(Cl)s1)S(=O)(=O)c1ccc(Cl)cc1 3273883 CEJJLTUMQHFWAY-UHFFFAOYSA-N 422.311 3.102 0 40 HGAB CCn1c(-c2ccccc2)c(C(=O)COC(=O)C2=NNC(=O)CC2)c2ccccc21 4245846 WBVWSBLGVYLZOQ-UHFFFAOYSA-N 403.438 3.320 0 40 HGAB COc1ccc(C)cc1NC(=O)C(=O)NC[C@H](c1ccco1)N1CCc2ccccc21 4305349 FBQRIIWWSPLYHW-HXUWFJFHSA-N 419.481 3.455 0 40 HGAB CC(C)COC(=O)[C@H]1[C@@H](c2ccccc2)[C@@H](C(=O)OCC(C)C)C(=O)C[C@]1(C)O 4615368 BRGRVHJIWQXPQK-GJPOJAMWSA-N 404.503 3.125 0 40 HGAB COc1cc(OC)c([C@@H]2CC(=O)N(c3cccc(C)c3)C3=C2C(=O)OC3)cc1OC 4944723 UAPJFHMMILBZJS-INIZCTEOSA-N 409.438 3.352 0 40 HGAB CC(C)CS(=O)(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccccc1)CCC2 5136812 SYIOMXLXMKHNNE-UHFFFAOYSA-N 408.545 3.226 0 40 HGAB CCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)NC23CC4CC(CC(C4)C2)C3)C1=O 5559467 HMKINSUIHATALE-QFJROZJJSA-N 409.530 3.319 0 40 HGAB COc1ccc(C(=O)NC(=S)Nc2ccc(Br)cc2C(=O)O)cc1 6570902 SXMRPMGKUHMIGL-UHFFFAOYSA-N 409.261 3.283 0 40 HGAB Cc1c(O[C@H](C)C(=O)NC[C@H](O)c2ccccc2)ccc2c3c(c(=O)oc12)CCC3 6658907 LNXDCMZZQZKINP-QRWLVFNGSA-N 407.466 3.207 0 40 HGAB COCCN1C(=O)c2oc3cc(C)cc(C)c3c(=O)c2[C@@H]1c1ccc(O)c(OC)c1 6743334 JYNZHOXEHUWEIR-FQEVSTJZSA-N 409.438 3.316 0 40 HGAB CCCOc1cccc([C@H]2c3c(-c4cc(C)ccc4O)n[nH]c3C(=O)N2CCO)c1 6753200 SADAKIRBOCIDOB-QFIPXVFZSA-N 407.470 3.417 0 40 HGAB O=C(CSc1nc2nccnc2c(=O)n1Cc1cccs1)Nc1ccccc1 6818688 HRDOVTXHSNJCIA-UHFFFAOYSA-N 409.496 3.027 0 40 HGAB CCc1nnc(NC(=O)CSc2nc3sc4c(c3c(=O)[nH]2)CCCC4)s1 7341797 SFUDWVXHWBAXPT-UHFFFAOYSA-N 407.546 3.008 0 40 HGAB Cc1cccc(C)c1OC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 7657956 FOSSKLXSDOHQAH-IAGOWNOFSA-N 403.500 3.321 0 40 HGAB CCn1c(Cc2ccccc2)nnc1SCC(=O)NC(=O)NCc1ccccc1 7779416 QAYRLIRFYHTJRA-UHFFFAOYSA-N 409.515 3.007 0 40 HGAB COc1ccc(OC)c(N2C[C@H](C(=O)O[C@@H](C)C(=O)c3ccc(C)cc3)CC2=O)c1 7881554 NVXWSLPSOFSXCM-DOTOQJQBSA-N 411.454 3.180 0 40 HGAB O=C(c1cc2c(s1)CCCCC2)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 8096315 OCDYMMZSGSLBMB-UHFFFAOYSA-N 418.584 3.305 0 40 HGAB COc1cccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1OC 8290654 CATDUGBAZBYWQE-UHFFFAOYSA-N 404.488 3.131 0 40 HGAB O=C(NCc1ccccc1)C(=O)NC[C@H](c1cccc2ccccc12)N1CCCC1 10333868 VXHVEPSMQYJVGE-HSZRJFAPSA-N 401.510 3.409 0 40 HGAB COc1ccc(-c2oc3ccccc3c(=O)c2OCC(=O)NC[C@@H]2CCCO2)cc1 11990554 OSQGUHUMMJUZNT-KRWDZBQOSA-N 409.438 3.143 0 40 HGAB COc1ccccc1C=C(c1nnnn1-c1ccccc1)c1nnnn1-c1ccccc1 12080325 RWDBZJVASYVTRP-UHFFFAOYSA-N 422.452 3.236 0 40 HGAB CCOc1cc(CCC(=O)N2CCCC[C@@H]2c2cc3nc(CC)cc(O)n3n2)on1 12161359 PPORSUSYHXOENH-QGZVFWFLSA-N 413.478 3.070 0 40 HGAB CCOc1ccc([C@H](O)CN2CCC3(CC2)C[C@H](O)c2cc(OC)ccc2O3)cc1 12293671 GFTZFYRDDBMVNZ-FCHUYYIVSA-N 413.514 3.478 0 40 HGAB CN(Cc1ccccc1N1CCOCC1)C(=O)CSc1ncnc2sccc12 12517462 HKMBCKJXGJMVJW-UHFFFAOYSA-N 414.556 3.279 0 40 HGAB C[C@@H](OC(=O)[C@@]12CCC(=O)N1c1ccccc1S2)C(=O)Nc1ccc(Cl)cn1 12789753 LJBDXADRBVTVMS-WYRIXSBYSA-N 417.874 3.234 0 40 HGAB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)CCn1cnc2sccc2c1=O 12828755 CHGNKJQFNXIYPC-UHFFFAOYSA-N 421.526 3.026 0 40 HGAB COc1ccc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)cc1C(=O)N1CCCCC1 12854603 XCMPCWCJFUROKC-INIZCTEOSA-N 414.527 3.461 0 40 HGAB CCCC[n+]1ccn(-c2nc3ccccc3nc2NS(=O)(=O)c2ccccc2)c1 13496729 DMECQUIIQRMTBD-UHFFFAOYSA-N 408.507 3.309 0 40 HGAB CCCc1nc2sc3c(N(C[C@H](C)O)C[C@@H](C)O)ncnc3c2c2c1CCC2 13777381 OXIQFCWVIVQPRX-BETUJISGSA-N 400.548 3.249 0 40 HGAB O=C(COc1ccc(F)cc1)NCCCn1nc(-c2ccc(Cl)cc2)ccc1=O 13801553 BHJVSZWJDDRZTI-UHFFFAOYSA-N 415.852 3.288 0 40 HGAB C[C@H](C(=O)Nc1ccccc1C(F)(F)F)N(C)Cc1nc(=O)c2ccccc2[nH]1 14926011 UUFLTPZYIZACSM-GFCCVEGCSA-N 404.392 3.401 0 40 HGAB COc1cc(OC)cc(C(=O)Nc2nc(-c3ccc(CNC(C)=O)o3)cs2)c1 16724066 CQOHZHCDHHKYIJ-UHFFFAOYSA-N 401.444 3.309 0 40 HGAB O=C(Nc1ccccc1N1CCCC1)C1CCN(S(=O)(=O)c2ccccc2)CC1 18839608 WIEXQWGQJWISBN-UHFFFAOYSA-N 413.543 3.326 0 40 HGAB COc1ccc([C@H](c2ccccc2)N2CCN(C(=O)[C@@H](C)n3ccnc3)CC2)cc1 19079057 XDNJWNOFZUCUIB-XXBNENTESA-N 404.514 3.387 0 40 HGAB O=c1c(CN(CCN2CCOCC2)Cc2cccnc2)coc2ccc(Cl)cc12 19338672 FCOABKHYWTUEAV-UHFFFAOYSA-N 413.905 3.176 0 40 HGAB O=C(COC[C@@H]1COc2ccccc2O1)N1CCC[C@H](COc2ccc(F)cc2)C1 19375730 IQDRVGVVOPYKMY-FXAWDEMLSA-N 415.461 3.300 0 40 HGAB CC(=O)N[C@H]1C[C@@H](CCNC(=O)c2cn3ccc(C)cc3n2)O[C@@H](c2ccccc2)C1 19712387 MXOLDXOQQUARLJ-TUNNFDKTSA-N 420.513 3.188 0 40 HGAB CN(CCOc1ccc(F)cc1)C(=O)c1cc(N2CCOCC2)nc2ccccc12 19718083 PYHWJPQHZRUKIG-UHFFFAOYSA-N 409.461 3.362 0 40 HGAB O=C(NCCc1ccc(Cl)cc1)[C@H]1CCN(C(=O)c2ccc3nsnc3c2)C1 19748086 SPRCVRVEFYXPES-HNNXBMFYSA-N 414.918 3.166 0 40 HGAB Cc1ncc(C(=O)N2CCC[C@@H]2c2ncc(C(=O)Nc3ccccc3)c(C)n2)c(C)n1 19755402 BHRJVVDQFIKKJZ-HXUWFJFHSA-N 416.485 3.421 0 40 HGAB Cc1ccc(F)cc1NC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1C 20021871 NIGCNOFHMZRYML-UHFFFAOYSA-N 406.479 3.245 0 40 HGAB C[C@H](Oc1cccc(Cl)c1)C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 20491433 UKXFDXLJOZQGRW-HNNXBMFYSA-N 402.878 3.180 0 40 HGAB O=C(NC[C@H](c1ccc(F)cc1)N1CCOCC1)c1ccc(Br)cc1 23156314 IUGOXVJAAVIICT-GOSISDBHSA-N 407.283 3.392 0 40 HGAB COc1cc([C@H](c2sc3nc(C)nn3c2O)N2CCCCC2)cc(OC)c1OC 23157944 GTABXKFJRZSEAR-MRXNPFEDSA-N 418.519 3.406 0 40 HGAB O=S(=O)(c1cccc(Cl)c1)N1CCN(Cc2cccc3cccnc23)CC1 24193355 AZXUEHPOFIPFJR-UHFFFAOYSA-N 401.919 3.395 0 40 HGAB COc1ccc([C@H](CNC(=O)c2ccc(-n3cccc3)cc2)N2CCOCC2)cc1 24573358 VJMRGUKCQCIWQE-QHCPKHFHSA-N 405.498 3.289 0 40 HGAB CN(C(=O)CCCN(C)S(=O)(=O)c1ccc(F)cc1)c1nc2ccccc2s1 26963756 OFPIAGNFOORVAB-UHFFFAOYSA-N 421.519 3.499 0 40 HGAB O=C(NCCCN1CCOCC1)c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1 27689653 KMZQTFVZENXALT-UHFFFAOYSA-N 414.893 3.238 0 40 HGAB O=C(Cn1cnc2scc(-c3cccs3)c2c1=O)NCc1cn2ccccc2n1 28834077 KDZOYWHHQQCQPO-UHFFFAOYSA-N 421.507 3.151 0 40 HGAB COCCCn1c(S[C@@H]2CCCCCC2=O)nc2cc(C(=O)OC)ccc2c1=O 29390138 FGDVYWDOQGQLPP-GOSISDBHSA-N 418.515 3.214 0 40 HGAB CCCNC(=O)c1ccccc1NC(=O)c1cc(NS(C)(=O)=O)ccc1Cl 30754611 VRZQITMDDAJWIF-UHFFFAOYSA-N 409.895 3.104 0 40 HGAB COC(=O)C[C@H](NC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1)c1cccs1 32453820 LIABQPCUCDXXBV-WFASDCNBSA-N 406.891 3.175 0 40 HGAB CCOc1ccc(NS(=O)(=O)c2cc(C(=O)O)sc2Br)cc1 32585531 HEDAYOVWIFEZTC-UHFFFAOYSA-N 406.279 3.408 0 40 HGAB Cc1c(C(=O)N2CCN(C)c3nc4ccccc4nc32)cnn1-c1ccc(F)cc1 32796552 TWDDWAYRIQFOJU-UHFFFAOYSA-N 402.433 3.360 0 40 HGAB COC(=O)C[C@@H](NC(=O)C[C@@H](NC(C)=O)c1ccc(Cl)cc1)c1cccs1 32900555 AXPVARLUHCNEJA-HZPDHXFCSA-N 408.907 3.389 0 40 HGAB COC(=O)c1ccc(F)c(NC(=O)Cc2csc(NC(=O)c3ccco3)n2)c1 32903236 GBWXUNRSMNOAFP-UHFFFAOYSA-N 403.391 3.095 0 40 HGAB CCCCc1ccc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(OC)c(OC)c2)cc1 33730319 ODQDRWYLMZRFGE-OAHLLOKOSA-N 420.531 3.352 0 40 HGAB CC(C)n1nccc1NC(=O)[C@@H](C)OC(=O)c1nn(-c2ccccc2)c2c1CCC2 40024764 AVMGXNJIERDDQN-OAHLLOKOSA-N 407.474 3.322 0 40 HGAB O=C1C[C@@H](C(=O)N2CCC[C@@H]2c2nnc3ccccn23)CN1c1cccc(Cl)c1 40069352 OKTLONZVMRUKMR-RHSMWYFYSA-N 409.877 3.099 0 40 HGAB CCOC(=O)c1cc2cc(NC(=O)Cn3ncc4ccccc4c3=O)ccc2s1 40082404 CRUJKHCXIGDJBG-UHFFFAOYSA-N 407.451 3.427 0 40 HGAB C[C@@H](NC(=O)Nc1ccc(OC(F)(F)F)cc1)c1ccc(S(N)(=O)=O)cc1 40097106 FYCRQTMTBOPVAW-SNVBAGLBSA-N 403.382 3.115 0 40 HGAB Cc1cc(N(C)C)ccc1NC(=O)CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C 40111647 IJCGRVOHCARXRW-XMMPIXPASA-N 420.513 3.389 0 40 HGAB CN(C)S(=O)(=O)c1ccc(-c2csc(NC(=O)c3ccnc(Cl)c3)n2)cc1 40134069 CKUUHFWKYDCGGK-UHFFFAOYSA-N 422.919 3.361 0 40 HGAB Cc1ccc(-n2nnc(C(=O)N(C)Cc3nc4ccccc4c(=O)[nH]3)c2C(C)C)cc1 40143756 HTHSFWVSKHTPAS-UHFFFAOYSA-N 416.485 3.208 0 40 HGAB COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)c2c(F)cccc2Cl)cc1 40160005 QPYXBKDQIIOGKN-NSHDSACASA-N 400.859 3.045 0 40 HGAB CCCS(=O)(=O)N1CCC(C(=O)Oc2ccc(C(=O)c3ccccc3)cc2)CC1 49461993 CNZYEYLJGMFBTC-UHFFFAOYSA-N 415.511 3.275 0 40 HGAB O=C(NCC(F)(F)F)c1ccc(S(=O)(=O)NCc2cccc3cccnc23)cc1 58051231 FXHBZTPJFHRJFK-UHFFFAOYSA-N 423.416 3.005 0 40 HGAB O=S(=O)(N1CCCCC1)N1CCC2(CC1)C[C@H]2c1nnc(-c2cccc(F)c2)o1 71890642 CHKQWUSBXFFVPU-KRWDZBQOSA-N 420.510 3.176 0 40 HGAB CC(C)(C)c1cc(C(=O)N2CCC[C@@H](n3nc(-c4cccs4)ccc3=O)C2)[nH]n1 72334939 GAPAERYMIRCYCP-CQSZACIVSA-N 411.531 3.470 0 40 HGAB CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)CCc1c(C)nc2c(C(N)=O)cnn2c1C 78877863 ZWDUMAPBKXPYDV-IBGZPJMESA-N 421.545 3.166 0 40 HGAB CC(C)(C)OC(=O)N[C@@H]1CCCCCC[C@H]1C(=O)NCCc1nnc2ccccn12 79098525 ZAVDMSDWALSNEH-IAGOWNOFSA-N 415.538 3.252 0 40 HGAB COC(=O)[C@H](c1cccc(Cl)c1)N1CCN(C(=O)c2sc(C)cc2OC)CC1 89582242 SQVCTHWZVITSBF-KRWDZBQOSA-N 422.934 3.391 0 40 HGAB Cc1nc(-c2ccc(N3CCN(C(=O)c4ccc5ncsc5c4)CC3)nc2)no1 90558837 WNQUHRCHNZJSLJ-UHFFFAOYSA-N 406.471 3.012 0 40 HGAB O=C(Cc1csc(-c2cccnc2)n1)Nc1ccc(-n2ccc(C(=O)O)n2)cc1 95425269 XZBVNWDCHGZVOW-UHFFFAOYSA-N 405.439 3.270 0 40 HGAB Cc1ccc(C(=O)NC[C@@H](NC(=O)c2ccc(C)o2)c2ccc3c(c2)OCCO3)o1 95456328 IQKQILUHWVOXLF-MRXNPFEDSA-N 410.426 3.162 0 40 HGAB CC(C)n1nnc(-c2ccc(C(=O)N3CCN(C/C=C/c4ccccc4)CC3)cc2)n1 96223032 WTOZFFZBPIMYNI-RMKNXTFCSA-N 416.529 3.392 0 40 HGAB COc1cc(N2Cc3ccccc3C3(CCN(C(=O)c4ccco4)CC3)C2)ncn1 96242530 DQKOQPABGCATGI-UHFFFAOYSA-N 404.470 3.272 0 40 HGAB O=C(O)C12C[C@@H]3C[C@@H](C1)CC(n1ncc(NCc4ccco4)c(Cl)c1=O)(C3)C2 101091795 CWSUGFSITARRHX-BHRWCRGXSA-N 403.866 3.482 0 40 HGAB O=C1C[C@H](n2nc(COc3ccccc3)n(-c3ccccc3)c2=S)[C@H]2CO[C@H]1O2 102989414 FBIOLMDPKYLULT-HQRMLTQVSA-N 409.467 3.238 0 40 HGAB CCN(Cc1nc(-c2cccs2)no1)C(=O)c1cccc(CN2CCOCC2)c1 219249393 ANFSIPJFTUXLEA-UHFFFAOYSA-N 412.515 3.293 0 40 HGAB CCOC(=O)c1cccc(NC(=O)CCCN(c2ccccc2C)S(C)(=O)=O)c1 222560291 ONXUXRPMDMEFGE-UHFFFAOYSA-N 418.515 3.357 0 40 HGAB COC(=O)c1cn(C(=O)CN(c2cc(C)cc(C)c2)S(C)(=O)=O)c2ccccc12 222580791 MNZQISAIDIPQJH-UHFFFAOYSA-N 414.483 3.151 0 40 HGAB COc1ccc(OC)c(S(=O)(=O)N(C)Cc2nc(-c3ccc(Cl)cc3)no2)c1 223780028 UHRZUDIWBIWAQG-UHFFFAOYSA-N 423.878 3.228 0 40 HGAB CCOC(=O)CN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccc(OC)cc1 224862439 FYGFAJZOUCGNBJ-UHFFFAOYSA-N 401.843 3.246 0 40 HGAB CNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)Cc1ccc(C)cc1 225491352 QSCIETDFRUVIFO-OAHLLOKOSA-N 403.320 3.463 0 40 HGAB O=C(NC1CCN(c2cc(-c3cccs3)[nH]n2)CC1)c1cnn(-c2ccccc2)n1 225755018 NACCPWPGDIWDEU-UHFFFAOYSA-N 419.514 3.118 0 40 HGAB CC(C)S(=O)(=O)c1ccc(CC(=O)NCCn2cc(-c3ccccc3)cn2)cc1 238947072 WNMNQJRWIWKPIK-UHFFFAOYSA-N 411.527 3.091 0 40 HGAB CN(Cc1ccc(OCc2ccccn2)cc1)C[C@]1(O)CCN(c2ccc(F)cn2)C1 257200446 ADJHPNMTZBMAQS-XMMPIXPASA-N 422.504 3.268 0 40 HGAB Cc1nc(C(=O)N2C[C@@H]3[C@@H](C2)c2cc(-c4ccco4)ccc2S3(=O)=O)cs1 306124350 BNHOHLLQZKIHFC-KBXCAEBGSA-N 400.481 3.107 0 40 HGAB Cc1ccccc1CC(=O)N1CCC2(CC1)CN(C)C(=O)c1cnc(C(C)C)nc12 306133414 MKMMESVWCAVNKO-UHFFFAOYSA-N 406.530 3.097 0 40 HGAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)N[C@@H](C)c2ccccc2)cc1Cl 408598217 YBDYKOMGDNSONN-UONOGXRCSA-N 410.923 3.283 0 40 HGAB CCOc1ccccc1NS(=O)(=O)c1ccc(O[C@@H](C)C(=O)NC(C)C)cc1 408600777 CKMUYRWIUWYLOB-HNNXBMFYSA-N 406.504 3.178 0 40 HGAB COc1ccc(Cl)cc1NC(=O)CCC(=O)OCC(=O)N[C@@H](C)c1ccccc1 408645433 KQYDNYBUIJWUJS-AWEZNQCLSA-N 418.877 3.488 0 40 HGAB Cc1nc([C@@H]2CCN(C(=O)[C@@H]3C[C@H]3C)C2)nc(C)c1CC(=O)NCc1ccc(F)cc1 409412795 GBHNUORYHYUXSK-LXGCGDOSSA-N 424.520 3.063 0 40 HGAB Cc1cc(=O)c(OCC(=O)N2CCc3[nH]c4c(Br)cccc4c3C2)co1 524733398 OHMYFCRICYFMIG-UHFFFAOYSA-N 417.259 3.156 0 40 HGAB O=C(NCC[C@H](CCO)c1ccsc1)C(=O)Nc1ccc(OC(F)(F)F)cc1 575607419 LMZPWJMSPSBUDZ-GFCCVEGCSA-N 416.421 3.258 0 40 HGAB CN1CCN(C(=O)Cc2ccc(F)cc2)[C@@H](Cc2ccc(-c3ccncc3)cc2)C1=O 1848351802 JFRVLPKVUJEHJD-QHCPKHFHSA-N 417.484 3.342 0 40 HGAB Cc1cc(OC[C@@]2(O)CCCN(C(=O)CCc3ccnn3C)CC2)cc(C)c1Cl 2037912021 CJDMUNNCFQBDTE-JOCHJYFZSA-N 419.953 3.446 0 40 HGAB O=C(Nc1cccc(F)c1)[C@@]12C[C@@H]1CCN2S(=O)(=O)c1ccc2ncsc2c1 2056224955 ICGIVZIBBCUBGF-HXPMCKFVSA-N 417.487 3.227 0 40 HGAB COc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)c(OC)c1 791756 ULVWRMYRBFSZIO-MRXNPFEDSA-N 418.515 3.052 0 40 HGAB CC(C)c1ccc(NC(=O)N2CCC[C@H]2C(=O)Nc2ccc(-n3cnnn3)cc2)cc1 1343132 MTUMMMKQUSCMQL-FQEVSTJZSA-N 419.489 3.421 0 40 HGAB CCCN(CCC)c1nc(N(CCC)CCC)nc(-n2nnc(C(C)=O)c2C)n1 1429302 ZYVLUOMYOHSSPQ-UHFFFAOYSA-N 402.547 3.216 0 40 HGAB CCOC(=O)Cc1sc(NC(=O)CSc2nc3ccccc3n2C)nc1C 1443675 FLBHSQVSGFMXRT-UHFFFAOYSA-N 404.517 3.175 0 40 HGAB COc1ccc(NC(=O)CSc2nnc(-c3cnccn3)n2-c2ccccc2)cc1 2208683 TUJLRSSAPUGDAJ-UHFFFAOYSA-N 418.482 3.464 0 40 HGAB O=c1/c(=C\c2cccc(Br)c2)sc2nc(-c3ccc(F)cc3)nn12 2445635 BXDSVKOXONFJKM-NTEUORMPSA-N 402.248 3.267 0 40 HGAB COc1ccc(CCNC(=O)c2cc3c(=O)n4cccc(C)c4nc3s2)cc1OC 2722903 YBSUHJKTTARXOB-UHFFFAOYSA-N 423.494 3.207 0 40 HGAB CCn1cc(CN(C)C(=O)[C@H](C)n2nc(C(F)(F)F)c(Br)c2C)cn1 2778943 LOXKIAJKLAOFCW-JTQLQIEISA-N 422.249 3.409 0 40 HGAB COc1ccccc1NC(=O)C(=O)c1cn(CC(=O)N2CCCCC2)c2ccccc12 3015426 CDEVVYDUHZXHSS-UHFFFAOYSA-N 419.481 3.484 0 40 HGAB COc1cccc(-n2c(SCC(=O)Nc3cc(C)on3)nc3ccccc3c2=O)c1 3477814 WCFIQBODUVZTFD-UHFFFAOYSA-N 422.466 3.422 0 40 HGAB CCCn1c(=O)c2c(nc3n(-c4ccc(C(F)(F)F)cc4)c(C)c(C)n23)n(C)c1=O 4370575 CCXLDQVAOJHISA-UHFFFAOYSA-N 419.407 3.184 0 40 HGAB O=C1N/C(=C/c2cc3c(cc2Br)OCO3)C(=O)N1Cc1ccc(F)cc1 4471009 NBRZDOZMEOHWCY-LHHJGKSTSA-N 419.206 3.410 0 40 HGAB COc1cccc(C(=O)Nc2sc3c(c2C(N)=O)CC(C)(C)NC3(C)C)c1OC 4479367 OCIPTRSIFMAOON-UHFFFAOYSA-N 417.531 3.276 0 40 HGAB COc1ccc(N(CC(=O)Nc2ccccc2SC)S(C)(=O)=O)cc1Cl 4741068 XMGCHABMZLOTOZ-UHFFFAOYSA-N 414.936 3.475 0 40 HGAB CCc1ccc(N(CC(=O)NC2CCCC2)C(=O)CCC(=O)Nc2ccccn2)cc1 4848251 XXXVVJKHXOWQMA-UHFFFAOYSA-N 422.529 3.455 0 40 HGAB CCC(C)(C)NC(=O)c1ccc2c(c1)N(CC(=O)NC(C)(C)C)C(=O)C(C)(C)O2 4965836 ILFMFXNOCITJFG-UHFFFAOYSA-N 403.523 3.024 0 40 HGAB CCOC(=O)c1sc(NC(=O)CSc2ncc(-c3ccccc3)nn2)nc1C 5016546 CNDAUSACNTZAAK-UHFFFAOYSA-N 415.500 3.211 0 40 HGAB O=C(Nc1ccccc1Cl)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 5558866 UHNYDJGOZZTWIQ-UHFFFAOYSA-N 415.298 3.267 0 40 HGAB Cc1oc2c(c(C)cc3oc(=O)c(CC(=O)N4CCC(C(N)=O)CC4)c(C)c32)c1C 6624249 UTAFVFAJHVGKEG-UHFFFAOYSA-N 410.470 3.039 0 40 HGAB biogenic COc1ccc(Cl)cc1NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1 6730399 IDBMEAHSKATKNE-UHFFFAOYSA-N 406.891 3.449 0 40 HGAB COc1ccc(CNS(=O)(=O)c2ccc(C)c(C(=O)N3CCCCC3)c2)cc1 7604437 AKEBRTKLBSEZFT-UHFFFAOYSA-N 402.516 3.108 0 40 HGAB O=C(CSc1nnc(Nc2ccccc2)s1)N1CCN(c2ccccn2)CC1 7733704 LREXBLSERJTKLJ-UHFFFAOYSA-N 412.544 3.118 0 40 HGAB CC1CCN([C@H](CNC(=O)Cn2cnc3ccccc3c2=O)c2cccs2)CC1 8272682 SQUQAVVIJSDMML-LJQANCHMSA-N 410.543 3.047 0 40 HGAB CC1(C)C(=O)Nc2ccccc2N1C(=O)COc1ccc(C=O)cc1Br 9255003 FISJQSXQEHKIOI-UHFFFAOYSA-N 417.259 3.404 0 40 HGAB CCN(CC)S(=O)(=O)c1c(C)nn(CC(=O)c2cc(C)n(C3CC3)c2C)c1C 9315327 QUVVAHGLNWEAMD-UHFFFAOYSA-N 406.552 3.167 0 40 HGAB COc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc(F)cc2)cc(OC)c1OC 9329532 SJHMEKSMHHWUHX-SFHVURJKSA-N 415.421 3.118 0 40 HGAB O=c1[nH]c(CSc2nnc([C@H]3COc4ccccc4O3)o2)nc2ccsc12 9494036 PYFDNCFKXKTLKF-GFCCVEGCSA-N 400.441 3.172 0 40 HGAB O=C(NCc1ccccc1OC(F)F)c1c[nH]nc1-c1ccc2c(c1)OCCO2 10115244 NVIVNYNKSOJZST-UHFFFAOYSA-N 401.369 3.379 0 40 HGAB Cc1cc(C(=O)Nc2ccccc2C(=O)NC(C)(C)C)ccc1NS(C)(=O)=O 10363130 DBSWXDNHODKVFA-UHFFFAOYSA-N 403.504 3.147 0 40 HGAB COc1ccc([C@H]2CCCN2C(=O)CCn2cnc3c(C)cccc3c2=O)c(OC)c1 11584689 VGAQLSNPYCIXGZ-HXUWFJFHSA-N 421.497 3.476 0 40 HGAB Cn1ncc2c(SCC(=O)c3ccc(CNC(=O)C(C)(C)C)s3)ncnc21 11684071 GHCJLFUREWAPEW-UHFFFAOYSA-N 403.533 3.062 0 40 HGAB Cc1ccccc1C(=O)N(Cc1ccc(Br)o1)[C@@H]1CCS(=O)(=O)C1 11913993 TYQGDKSSQJEECJ-CYBMUJFWSA-N 412.305 3.180 0 40 HGAB O=c1[nH]c(-c2ccncc2)nc2c1CCN(Cc1cccn1Cc1ccccc1F)C2 12142882 QPFGXPYGEMLYGW-UHFFFAOYSA-N 415.472 3.379 0 40 HGAB CC[C@@H]1Oc2ccc(C(=O)c3ccco3)cc2N(CC(=O)NC2CCCCC2)C1=O 12241970 KDQCEZYUNSOVNO-SFHVURJKSA-N 410.470 3.464 0 40 HGAB COC(=O)c1ccc(CNC(=O)c2ccc3c(=O)n4c(nc3c2)CCCCCC4)cc1 12774261 FEHGEDMQNJXZNF-UHFFFAOYSA-N 419.481 3.230 0 40 HGAB CCOc1cccc(COC(=O)c2nn(C)c(=O)c3ccccc23)c1OC(F)F 12777608 RMEZCMWHVPNILT-UHFFFAOYSA-N 404.369 3.291 0 40 HGAB Cc1cc(C)c(NC(=O)CN(Cc2ccco2)[C@H]2CCS(=O)(=O)C2)c(Cl)c1 12786376 YPVWWQWOHOAYTA-HNNXBMFYSA-N 410.923 3.178 0 40 HGAB C[C@H](Sc1ccccc1)C(=O)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C 12936471 OZSZFFWFLIZVQY-HOTGVXAUSA-N 411.527 3.390 0 40 HGAB CCCc1nnc(NC(=O)[C@H]2CC(=O)N(c3cccc(Br)c3)C2)s1 12973269 SGMXUNDHJZQGMI-JTQLQIEISA-N 409.309 3.245 0 40 HGAB O=C(Nc1cc(S(=O)(=O)N2CCCCC2)ccc1OCC(F)(F)F)C1CC1 13009546 AUAOZRFQCQBPTA-UHFFFAOYSA-N 406.426 3.151 0 40 HGAB O=C(Nc1ccc(-c2ccc(N3CCOCC3)nn2)cc1)Nc1ccc2c(c1)OCO2 13610685 WFLMISWWESHWAL-UHFFFAOYSA-N 419.441 3.353 0 40 HGAB CCOC(=O)c1ccc(C)c(NC(=O)CN(c2cc(C)ccc2C)S(C)(=O)=O)c1 13668326 ARVKJMGAHCCJAM-UHFFFAOYSA-N 418.515 3.193 0 40 HGAB CCOC(=O)c1ccc(C)c(NC(=O)c2ccc(N(C)S(=O)(=O)CC)cc2)c1 13669047 HXILOZMREZUYGD-UHFFFAOYSA-N 404.488 3.210 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)c3ccc(F)cc3)CC2)cc1 15388959 YGBMHDXXJAGBRQ-INIZCTEOSA-N 404.507 3.412 0 40 HGAB CC(C)(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCCN(S(C)(=O)=O)C3)cc2N1 19083366 DCLBVLJMTZXYMI-FPMFFAJLSA-N 408.490 3.356 0 40 HGAB NC(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)CCCN(C(=O)c2ccccn2)C1 19399948 VAXLFCKJYUPMFH-DEOSSOPVSA-N 400.482 3.094 0 40 HGAB O=C(c1ccccn1)N1CCCC[C@H]1c1nc(O)c2c(n1)CN(C1CCCC1)CC2 19400112 DOXYTVWFKHFUAM-FQEVSTJZSA-N 407.518 3.245 0 40 HGAB COc1cccc([C@]2(O)CCC[C@@H]3CN(C(=O)c4ccc(-n5cnnc5)cc4)C[C@@H]32)c1 19565015 LHIGPQKPJOLXIY-RVSNTGDXSA-N 418.497 3.036 0 40 HGAB Cn1cc(-c2ccc([C@H]3CN(C(=O)CCCN4CCCCCC4)CCO3)nc2)cn1 19693807 QHFDHGROSRQGDI-JOCHJYFZSA-N 411.550 3.038 0 40 HGAB CCn1cc(CN2CCC(c3nc(-c4ccc(OC)cc4)c(C(=O)NC)[nH]3)CC2)cn1 19696961 NCELUHATRHQDMQ-UHFFFAOYSA-N 422.533 3.041 0 40 HGAB COc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cncnc3C)CC2)c1 19746994 LKNZMHVOQZOOAB-JOCHJYFZSA-N 422.529 3.341 0 40 HGAB COc1ccc([C@@H](C)NC(=O)CN(c2ccc(C)c(Cl)c2)S(C)(=O)=O)cc1 20450227 VSUHRNYHDFUSNY-CQSZACIVSA-N 410.923 3.300 0 40 HGAB CCc1ccc(N(CC(=O)N[C@H](CC)c2ccc(OC)cc2)S(C)(=O)=O)cc1 20455227 DEWPVWOSEYGUEQ-HXUWFJFHSA-N 404.532 3.291 0 40 HGAB O=C1N(c2ccc(OC(F)(F)F)cc2)C(O)=N[C@@]1(NCc1ccco1)C(F)(F)F 20506592 XVEBVCQIGMURLG-CQSZACIVSA-N 423.269 3.487 0 40 HGAB C[C@@H]1C(=O)N(CC(=O)Nc2ccc(Br)cc2)C(=O)N1c1ccc(F)cc1 20670868 ZGCZCVJJTJSISX-LLVKDONJSA-N 420.238 3.384 0 40 HGAB COc1ccc(Cl)cc1NC(=O)Cn1ncn2nc(-c3ccc(C)cc3)cc2c1=O 21024946 UTMOHRIMRBZGDK-UHFFFAOYSA-N 423.860 3.167 0 40 HGAB CCCc1n[nH]c(SCC(=O)N2c3ccccc3NC(=O)C[C@@H]2C(F)(F)F)n1 22286312 YERULKWFXWMURR-GFCCVEGCSA-N 413.425 3.156 0 40 HGAB COC(=O)c1ccc(NC(=O)C[C@@H]2CCCCN2S(=O)(=O)c2cccs2)cc1 22732401 FWPCVIJMCPEJKD-INIZCTEOSA-N 422.528 3.107 0 40 HGAB COc1ccccc1CNC(=O)C[C@@H]1CCCCN1S(=O)(=O)c1cccs1 22732418 PCJDFJJISFRYSL-INIZCTEOSA-N 408.545 3.006 0 40 HGAB O=C(c1cc2ccccc2oc1=O)N1CCN(Cc2nc(-c3ccco3)cs2)CC1 23137241 CIMCWQOPAXGQCC-UHFFFAOYSA-N 421.478 3.468 0 40 HGAB COc1cc(C(=S)NCCCN2CCOCC2)ccc1OCc1ccccc1 25748564 PDMSXIQYSOAWPF-UHFFFAOYSA-N 400.544 3.262 0 40 HGAB COc1ccc(N2C[C@](O)(c3ccc(-c4ccccc4)cc3)[N+]3=C2COCC3)cc1 26441650 KTQDDWWHZIUGTH-VWLOTQADSA-N 401.486 3.469 0 40 HGAB CC[C@H](C)c1ccccc1N1C[C@H](C(=O)N2CCN(C(=O)c3ccco3)CC2)CC1=O 27155794 ACBWCWMWKKCMRE-ZWKOTPCHSA-N 423.513 3.131 0 40 HGAB Cc1nn(CC(=O)N2CCN(c3cccc(Cl)c3)CC2)c(C)c1Br 27981744 RCUPGNBQBKRYLY-UHFFFAOYSA-N 411.731 3.265 0 40 HGAB COc1ccc(S[C@H](C)C(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)cc1OC 30751384 NQTSHQXVFOAPSE-CYBMUJFWSA-N 424.544 3.219 0 40 HGAB COc1cc(OC)cc(C(=O)N2CCC(C(=O)N3CCc4ccccc4C3)CC2)c1 31186404 KUHJCLCAYNRYRV-UHFFFAOYSA-N 408.498 3.141 0 40 HGAB Cc1nn(-c2ncnc3[nH]cnc23)c2c1[C@H](c1cccc(C(F)(F)F)c1)CC(=O)N2 31811630 VGKQBAKJTVCWQW-LBPRGKRZSA-N 413.363 3.340 0 40 HGAB CC(C)c1ccc([C@H](NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c(=O)c3c2)C(C)C)cc1 32759194 HZRRPQBNAWKUIO-LJQANCHMSA-N 415.515 3.015 0 40 HGAB Cc1cccc(OCCCNC(=O)c2ccccc2S[C@H]2CCS(=O)(=O)C2)c1 32837009 CMTIKZSBYYELIV-SFHVURJKSA-N 419.568 3.473 0 40 HGAB COc1ccc(-c2noc(COC(=O)c3cnc4c(cnn4C(C)C)c3)n2)cc1OC 32866026 VGXSETRJTMXQOV-UHFFFAOYSA-N 423.429 3.436 0 40 HGAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(C)c3)c(=O)n2[C@@H]1c1cccs1 33396968 FZTWRHMZDUZTFG-LYPXWFNGSA-N 424.547 3.168 0 40 HGAB CCOC(=O)CN1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccc(Cl)cc1N 35185333 WWBRSOGSBJJWNU-NRFANRHFSA-N 404.894 3.450 0 40 HGAB O=C(C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)NCc1nnc2n1CCC2 40025395 BNDIRSNURJFFQW-GOSISDBHSA-N 423.904 3.055 0 40 HGAB Nc1ccc(S(=O)(=O)Nc2nccc(-c3cnc(-c4cccnc4)s3)n2)cc1 43783167 GEKTWIYBLBCGMN-UHFFFAOYSA-N 410.484 3.045 0 40 HGAB COCCNC(=O)[C@@H]1Cc2cn(Cc3ccncc3)c3cccc(c23)[C@H](CC(C)C)N1 49171635 OORFKDVFJMYGJX-VXKWHMMOSA-N 420.557 3.449 0 40 HGAB biogenic,in-vitro Cc1nn(Cc2ccccc2)c(Cl)c1CN1CCc2cc(S(N)(=O)=O)ccc21 52283119 QRUSTGLLHKOLJA-UHFFFAOYSA-N 416.934 3.103 0 40 HGAB Cc1ncc(-c2ccc(NS(=O)(=O)c3cc(S(C)(=O)=O)ccc3C)cc2)o1 55582417 HAXWYLSPOVQVHS-UHFFFAOYSA-N 406.485 3.163 0 40 HGAB COc1ccc(CNC(=O)c2nc(-c3nc(-c4ccncc4)no3)cs2)cc1OC 65230652 XEWRYXLUDOMOJT-UHFFFAOYSA-N 423.454 3.202 0 40 HGAB C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@H]3[C@H](C[C@H](O)[C@]12C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O 70691805 BHQCQFFYRZLCQQ-XSMOIWDNSA-N 408.579 3.449 0 40 HGAB biogenic O=S(=O)(NCC1CCN(c2ccncc2)CC1)c1ccc(Br)s1 70922281 JJHPHRGZESOPMR-UHFFFAOYSA-N 416.366 3.101 0 40 HGAB CCCc1noc(C2=CC3=NNC4(CCN(C(=O)c5ccc(C)cc5)CC4)N3C=C2)n1 72332530 RGRGVJKLSPWKOS-UHFFFAOYSA-N 418.501 3.092 0 40 HGAB O=C(CCCn1cncn1)NC1CCN(CC2(c3ccccc3F)CCCC2)CC1 72393496 IFENGVIMQQCLLK-UHFFFAOYSA-N 413.541 3.290 0 40 HGAB CC(C)(C)c1nc(-c2ccc(NC(=O)[C@@H]3CS[C@@]4(C)CCC(=O)N34)cc2)no1 84674033 TYIZTQKQALKCIO-XOBRGWDASA-N 400.504 3.427 0 40 HGAB COCCn1ccc2ccc(C(=O)Nc3nc(Cc4ccc(OC)cc4)n[nH]3)cc21 95476901 GJEUMDZKWTWTRH-UHFFFAOYSA-N 405.458 3.258 0 40 HGAB CC(=O)CCc1ccc(OCC(=O)OCC2CCN(CC(F)(F)F)CC2)cc1 95960385 LREJDDNDODTEJX-UHFFFAOYSA-N 401.425 3.405 0 40 HGAB NS(=O)(=O)c1ccc(CNC(=O)C23C[C@@H]4C[C@@H](C2)CC(c2ccccc2)(C4)C3)cc1 102215114 SUWKHTNPBTZKQJ-UOYQGRGCSA-N 424.566 3.488 0 40 HGAB CC(=O)NC12C[C@H]3C[C@@H](C1)CC(C(=O)OCC(=O)N[C@H]1CCCc4ccccc41)(C3)C2 102449340 MHZWNHTUTPOBJH-SUYMTMFCSA-N 424.541 3.199 0 40 HGAB Cc1nn(Cc2noc(C(=O)N[C@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)n2)c(C)c1Br 102637820 VSNPFOQHCFICOJ-HYNSBDGHSA-N 422.327 3.248 0 40 HGAB CC(=O)NC12C[C@H]3C[C@H](C1)CC(C(=O)N(C)CC(=O)Nc1ccccc1Cl)(C3)C2 102750239 BOJPNRAWYJHOCS-TUKZGULFSA-N 417.937 3.212 0 40 HGAB Cc1ccccc1OCCNC(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1 108402396 VODOPJLHCFRSAO-UHFFFAOYSA-N 416.543 3.287 0 40 HGAB CCCOc1ccc2[nH]c(C(=O)N[C@@H](C(=O)OC)c3ccc(O)c(OC)c3)cc2c1 199416837 NLSDWZPJMUOGPL-HXUWFJFHSA-N 412.442 3.315 0 40 HGAB COc1ccc(C)cc1N([C@H](C)C(=O)NCc1ccccc1Cl)S(C)(=O)=O 220337836 LNEOGVKVLWECES-CQSZACIVSA-N 410.923 3.128 0 40 HGAB CCc1ccc(CC)c(CNC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)c1 222702097 NPZUCFZOHPKGOW-UHFFFAOYSA-N 408.951 3.402 0 40 HGAB CC[C@H](NC(=O)CN(Cc1ccc(C)cc1)S(C)(=O)=O)c1ccc(OC)cc1 223329825 ZXJRDRRDJZPTHO-FQEVSTJZSA-N 404.532 3.033 0 40 HGAB O=S(=O)(Cc1ccc(Br)cc1)NCc1nc(-c2ccccc2)no1 223652615 UVDVQJYFGYGWPO-UHFFFAOYSA-N 408.277 3.119 0 40 HGAB Cc1ccc(CNS(=O)(=O)c2nnc(NC(=O)c3ccccc3Cl)s2)cc1 223834736 DBNJEMHANQNSCH-UHFFFAOYSA-N 422.919 3.231 0 40 HGAB CS(=O)(=O)Nc1ccc(C(=O)Nc2nnc(-c3ccccc3)s2)c(Cl)c1 223855809 SWOGGCIBWNUFMK-UHFFFAOYSA-N 408.892 3.482 0 40 HGAB CC[C@@H](C(=O)NCCOc1cccc(C)c1C)N(c1ccccc1)S(C)(=O)=O 223938377 UYGRLTGOCVVEBN-IBGZPJMESA-N 404.532 3.043 0 40 HGAB CC[C@@H](NC(=O)CN(Cc1ccccc1Cl)S(C)(=O)=O)c1ccc(OC)cc1 224431746 RRRVMBYDSMNJHM-LJQANCHMSA-N 424.950 3.378 0 40 HGAB CCc1ccc(N([C@@H](C)C(=O)N[C@@H](C)c2ccccc2OC)S(C)(=O)=O)cc1 225043209 SUBISXBEFHZAMX-HOTGVXAUSA-N 404.532 3.290 0 40 HGAB CCn1c(=O)sc2cc(NC(=O)c3cccc(NS(C)(=O)=O)c3C)ccc21 225095592 MEFLSKZIYJEWNK-UHFFFAOYSA-N 405.501 3.015 0 40 HGAB O=C(O)CN(c1ccc(Br)c(Cl)c1)S(=O)(=O)c1cccs1 225138032 KENSKLSYSMSADN-UHFFFAOYSA-N 410.698 3.444 0 40 HGAB COc1ccc(CCN(CC(=O)O)C(=O)c2ccc(Br)cc2)cc1OC 225317178 QFXLXLTZPYVCOX-UHFFFAOYSA-N 422.275 3.236 0 40 HGAB COC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)sc(=O)n2C(C)C 225702973 IXOXHMQMASLCLB-UHFFFAOYSA-N 406.485 3.231 0 40 HGAB CS(=O)(=O)N[C@H](CC(=O)NCc1cccc2ccccc12)c1ccc(F)cc1 225943118 ITSLOCMVSFQZFL-HXUWFJFHSA-N 400.475 3.276 0 40 HGAB O=C(O)COCC(=O)N1CCC[C@H](Nc2cccc(Cl)c2)[C@@H]1Cc1ccccc1 257329940 XMCSXKNOZYLPJE-PMACEKPBSA-N 416.905 3.455 0 40 HGAB COc1ccc(C2(C(=O)N3CCC(C)(c4cc(N)nc(C)n4)CC3)CCOCC2)cc1 257334633 YGSVRUOQMCODKJ-UHFFFAOYSA-N 424.545 3.004 0 40 HGAB CC[C@H](C(=O)N[C@H](C)c1ccccc1OC)N(c1ccccc1F)S(C)(=O)=O 260810866 KSCRRJJTXUEORB-RHSMWYFYSA-N 408.495 3.256 0 40 HGAB CCCCNC(=O)CN(CCc1ccccc1)S(=O)(=O)c1cc(C)ccc1OC 408624403 UDZKJERZAXZOAT-UHFFFAOYSA-N 418.559 3.153 0 40 HGAB CN1C(=O)N/C(=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)c(Cl)c2)C1=O 409189620 LRTKIQBAFCQOQP-OQLLNIDSSA-N 403.797 3.019 0 40 HGAB COc1cccc(NC(=O)CN2CCCC[C@@H]2c2nnc(C3CCOCC3)o2)c1 504335815 ZHUQDDTZBCFYLR-GOSISDBHSA-N 400.479 3.138 0 40 HGAB CN1C(=O)c2cccc3c(S(=O)(=O)NC[C@@H]4[C@H]5Cc6ccccc6[C@@H]54)ccc1c23 513119979 HGPKXWLZNZUHID-OPYAIIAOSA-N 404.491 3.294 0 40 HGAB O=C(Nc1ccc(Cl)c(C(=O)NC2CC2)c1)C(=O)NC1(c2ccc(F)cc2)CC1 531210387 GBOKSSDNTLKKRK-UHFFFAOYSA-N 415.852 3.115 0 40 HGAB C[C@H](Nc1cc(N[C@H](C)[C@@H](O)Cc2ccccc2)ncn1)[C@H](O)Cc1ccccc1 534179681 KTXSPVVZYOCFIB-MTIDIVMFSA-N 406.530 3.285 0 40 HGAB Cc1cc(C)nc(Nc2cc(C)nc([C@H]3CCCCN3C(=O)/C=C/c3cnc[nH]3)n2)n1 585291583 RYPNCWFXTJUVDL-LKGOPFMKSA-N 418.505 3.426 0 40 HGAB O=S(=O)(NC[C@@H](O)c1ccc(-c2cccs2)cc1)c1cccc2nsnc12 1775978989 WZZBTFQADFOKFT-OAHLLOKOSA-N 417.537 3.432 0 40 HGAB O=C(c1cc(-c2ccccc2)on1)N1CCN(c2ccc(C(F)(F)F)nn2)CC1 1888897847 JCKIKILLGGVJGN-UHFFFAOYSA-N 403.364 3.113 0 40 HGAB FC(F)(F)c1nnc(CN2C[C@H]3CN(c4ccc(-c5ccccc5)nn4)C[C@@H]3C2)o1 1888897928 XCNDQLXTYXKIIM-GJZGRUSLSA-N 416.407 3.114 0 40 HGAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NC(=S)Nc1ccc(C(N)=O)cc1 675708 LZVNIWUTRBKAAB-VIFPVBQESA-N 412.298 3.373 0 40 HGAB Cc1ccccc1-c1nnc(SCC(=O)N2CCN(c3ccccc3)CC2)n1C 686734 YOLIOZWTNBADFP-UHFFFAOYSA-N 407.543 3.231 0 40 HGAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccccc3C)C2)cc1 809638 GXGIMIQDRIEINI-QGZVFWFLSA-N 402.516 3.433 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccc(F)cc3)o2)cc1 2456863 HTGGUOMMHUZOOF-UHFFFAOYSA-N 418.450 3.159 0 40 HGAB COc1ccc(C(=O)CSc2nnc(-c3ccc4c(c3)OCO4)o2)cc1OC 2627010 WVFGGHBGYHBVGM-UHFFFAOYSA-N 400.412 3.458 0 40 HGAB CN(C)S(=O)(=O)c1cccc(C(=O)Nc2nc3c(F)c(F)c(F)cc3s2)c1 3332642 AMFQABRVOCDVBZ-UHFFFAOYSA-N 415.418 3.216 0 40 HGAB COc1ccc(-c2cc(C(=O)OCC(=O)NC3CC3)c3ccccc3n2)cc1OC 3361238 OTSSPUSXIZPVRZ-UHFFFAOYSA-N 406.438 3.354 0 40 HGAB COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CC(=O)c2cc(OC)c(OC)cc21 4154984 OIRFAMXOTLUWJI-OAHLLOKOSA-N 400.427 3.155 0 40 HGAB COc1ccc(OC)c(NC(=O)C2=C(C)Nc3ncnn3[C@@H]2c2ccc(F)cc2)c1 4384713 ZHXVLNGPOLHKKL-LJQANCHMSA-N 409.421 3.362 0 40 HGAB COc1cc([C@@H]2SC[C@@H]3C(=O)N(c4ccccc4)C(=O)N32)cc(OC)c1OC 4704075 NWDAALGFYWWTFO-KUHUBIRLSA-N 400.456 3.295 0 40 HGAB Cc1c(C)n2c3c(=O)n(CCc4ccccc4)c(=O)n(C)c3nc2n1C1CCCC1 4945219 VEWAURDLERIOBD-UHFFFAOYSA-N 405.502 3.124 0 40 HGAB CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)c2nc(-c3ccccc3C)no2)cc1 4998348 AJCHMLZSSGDNFE-ZDUSSCGKSA-N 400.460 3.043 0 40 HGAB CC[C@@H](C)NC(=O)c1c(N)n(-c2ccc(C(=O)OC)cc2)c2nc3ccccc3nc12 5030731 UEBFFZTZGYPGTK-CYBMUJFWSA-N 417.469 3.471 0 40 HGAB C[C@H]1CCCC[C@H]1NC(=O)Cn1c(CC(=O)NCc2ccco2)nc2ccccc21 5264790 PDOJSWZUYWALLO-FUHWJXTLSA-N 408.502 3.183 0 40 HGAB Cc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3n2CCO[C@H]3c2cccs2)cc1 5345570 LLUQVXOBLFIQQB-FQEVSTJZSA-N 407.495 3.195 0 40 HGAB CCOc1ccc(CN(C(=O)c2ccccc2OCC)[C@H]2CCS(=O)(=O)C2)cc1 5350601 JGZBONCJQBBJPH-SFHVURJKSA-N 417.527 3.314 0 40 HGAB O=C(CSc1ccc(Cl)cc1)OCC(=O)N1CCN(c2ccccc2)CC1 5638205 YPOPFCOYCMYERY-UHFFFAOYSA-N 404.919 3.324 0 40 HGAB COc1ccccc1CN(C)C(=O)CN1C(=O)N[C@](C)(c2ccc(C(C)C)cc2)C1=O 5798132 WLQSVLDWDXNZCF-XMMPIXPASA-N 423.513 3.244 0 40 HGAB Cc1ccc(S(=O)(=O)CCC(=O)Nc2ccccc2C(=O)N2CCCCC2)cc1 6606793 CXAFNYKUSMTUJH-UHFFFAOYSA-N 414.527 3.424 0 40 HGAB Cc1ccc(CN(C(=O)COc2ccc(C(C)(C)C)cc2)[C@@H]2CCS(=O)(=O)C2)o1 6810344 ORQNZLDADCZBFD-GOSISDBHSA-N 419.543 3.480 0 40 HGAB CCCn1c(=O)c2sccc2n2c(CCCC(=O)NC3CCCCC3)nnc12 6868440 SSNYGLQGZGHAEW-UHFFFAOYSA-N 401.536 3.287 0 40 HGAB COC(=O)c1ccc(C)c(NS(=O)(=O)c2cc(Br)ccc2OC)c1 7050588 GVCSEIFDRNIJFE-UHFFFAOYSA-N 414.277 3.354 0 40 HGAB CCOC(=O)c1cc(-c2ccc(Cl)cc2)nc2c1c(=O)[nH]c(=O)n2CC(C)C 7718846 ZPCFTCBBQUUDFI-UHFFFAOYSA-N 401.850 3.238 0 40 HGAB COc1ccccc1N(CC(=O)Nc1ccc(Cl)c(Cl)c1)S(C)(=O)=O 8169211 RFFDBNNLOADTDY-UHFFFAOYSA-N 403.287 3.407 0 40 HGAB COCCn1c(S[C@H](C)C(=O)N[C@@H]2CCCC[C@@H]2C)nc2ccccc2c1=O 8229964 SZMJAXCCUBQPFL-ZMSDIMECSA-N 403.548 3.218 0 40 HGAB CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)CCNC(=O)c1ccccc1 8413189 SZMWXGBUBRONCM-UHFFFAOYSA-N 408.285 3.210 0 40 HGAB CCN1C[C@@H](CN(C)CC(=O)Nc2ccc(CN3CCCC3)cc2)Oc2ccccc21 8747125 ZPZHZBNRNHVNCA-JOCHJYFZSA-N 422.573 3.440 0 40 HGAB CC(C)(C)[C@H]1CCc2sc(C(=O)NCc3ccc(S(N)(=O)=O)cc3)cc2C1 9613959 AHPQAJQHEHVGCQ-HNNXBMFYSA-N 406.573 3.477 0 40 HGAB COc1ccc2nc(NC(=O)CCNS(=O)(=O)c3ccc(C)c(C)c3)sc2c1 9883429 MNSKOOFAWALJCD-UHFFFAOYSA-N 419.528 3.229 0 40 HGAB O=C(NCc1ccco1)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 9971971 KGBPZPPJABVIPL-OAHLLOKOSA-N 421.428 3.340 0 40 HGAB COc1ccc(NC(=O)C2CCN(S(=O)(=O)CCCc3ccccc3)CC2)cc1 10008662 QPWOXUMFCKSDTK-UHFFFAOYSA-N 416.543 3.308 0 40 HGAB CCOc1ccc(S(=O)(=O)N(CC(=O)N2CCCC2)Cc2ccccc2)cc1C 10301667 CQIZIXXUDSNNNR-UHFFFAOYSA-N 416.543 3.207 0 40 HGAB Cc1ccc(Cl)cc1N([C@@H](C)C(=O)Nc1ccc(C(=O)O)cc1)S(C)(=O)=O 10333544 IKHKNPWKVSWHGM-LBPRGKRZSA-N 410.879 3.140 0 40 HGAB CCOC(=O)c1ccc(NC(=O)CN(c2cc(C)ccc2C)S(C)(=O)=O)c(C)c1 10446753 SBKRUEANCSKORC-UHFFFAOYSA-N 418.515 3.193 0 40 HGAB COc1ccc(N([C@@H](C)C(=O)N2CCc3ccccc32)S(C)(=O)=O)cc1Cl 10449388 HKWXASBFGDMYPW-ZDUSSCGKSA-N 408.907 3.092 0 40 HGAB Cc1ccc(-n2ncc3c(C)nn(CC(=O)Nc4cccc(F)c4)c(=O)c32)cc1C 11613299 GLYCUWBMLLMATB-UHFFFAOYSA-N 405.433 3.285 0 40 HGAB COc1ccc(CN2CCC[C@@H](c3cc(N)n4nc(C)cc4n3)C2)c(OC)c1OC 12185942 GVMJDFADUJJTJX-OAHLLOKOSA-N 411.506 3.025 0 40 HGAB COc1ccc(C(=O)N2CCC(c3nc4ccccc4cc3C(N)=O)CC2)cc1OC 12254400 ZZUVYZQBXZGBOA-UHFFFAOYSA-N 419.481 3.371 0 40 HGAB O=C(NCCc1cccs1)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 12776823 QLFPXNSPCMOTGA-AWEZNQCLSA-N 412.964 3.161 0 40 HGAB CCOc1ccc([C@H](C)NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1OCC 13612282 REOLBKRLRNHMEJ-AWEZNQCLSA-N 407.488 3.295 0 40 HGAB CCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)C2CC2)CC3)cc1F 13696999 NUOUDXBOUSGJJZ-UHFFFAOYSA-N 404.463 3.324 0 40 HGAB CCCc1cc(=O)[nH]c(SCC(=O)c2ccc(CNC(=O)C(C)(C)C)s2)n1 14115918 ZKZVTAREFJAPOI-UHFFFAOYSA-N 407.561 3.421 0 40 HGAB COc1ccc(Cl)cc1N1C[C@H](C(=O)Nc2nc(C)c(C(C)=O)s2)CC1=O 14180368 OQDNOWBYWRBEJK-LLVKDONJSA-N 407.879 3.308 0 40 HGAB CCCCN(Cn1nc(/C=C/c2ccc(C)o2)[nH]c1=S)[C@H]1CCS(=O)(=O)C1 14198063 YEPIFTTYMXKOGC-KIUWMYQTSA-N 410.565 3.259 0 40 HGAB CCOC(=O)/C=C1\SCC(=O)N1CCSC1=Nc2ccccc2[C@@H]2CC=NN12 14198646 NDNNEHQMFDZWLG-ZCQLHAAUSA-N 416.528 3.133 0 40 HGAB Cn1c(SCCN2CCOCC2)nc2scc(-c3ccc(F)cc3)c2c1=O 14201321 MLTMQXYOWXVLPF-UHFFFAOYSA-N 405.520 3.225 0 40 HGAB CCCCc1ccc(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 15525523 OHZPALOLDVUEKC-UHFFFAOYSA-N 418.534 3.244 0 40 HGAB O=C(C[C@@H]1CCNC[C@@H]1Cc1cc(-c2ccc(F)cc2)on1)NCc1cccnc1 15673313 RQEAMVJNRZROQK-OALUTQOASA-N 408.477 3.350 0 40 HGAB biogenic,in-vitro Cc1noc(C)c1S(=O)(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 16089069 ODSGMLLCSBDLKB-UHFFFAOYSA-N 411.527 3.387 0 40 HGAB COc1cccc(CC(=O)N[C@@H](Cc2cc(=O)[nH]c(C)n2)c2ccc(Cl)cc2)c1 19285302 FRRNALGXYRUKPB-FQEVSTJZSA-N 411.889 3.383 0 40 HGAB CC(C)Nc1ncc(-c2ccncc2)c(C2CCN(C(=O)c3ccn(C)n3)CC2)n1 19450303 DOJQIAKYVAAKRP-UHFFFAOYSA-N 405.506 3.112 0 40 HGAB CC(C)[C@@H]1C[C@H](C(F)(F)F)n2nc(C(=O)N3CCC[C@H](CN(C)C)C3)cc2N1 19451152 CSNYNUISRLKSJW-IJEWVQPXSA-N 401.477 3.241 0 40 HGAB COc1ccc(CN2C[C@@H](c3cc(F)ccc3F)[C@@]3(CCCC(=O)N3)C2)cc1CO 19559370 MZBFKYSJPUZTBQ-WMZHIEFXSA-N 416.468 3.104 0 40 HGAB CN(C)Cc1cc(-c2ccccc2F)nn1CCNC(=O)c1[nH]nc2c1CCCCC2 19583481 PDOSDQIPTPZNLK-UHFFFAOYSA-N 424.524 3.173 0 40 HGAB CN1C(=O)COc2ccc(NC(=O)c3cnn4c(-c5ccc(F)cc5)ccnc34)cc21 19590992 PPIZITBXRLCHHB-UHFFFAOYSA-N 417.400 3.143 0 40 HGAB CO[C@@H]1CCC[C@H](C(=O)N2CCC[C@@H]([C@@H]3C[C@H](C(F)(F)F)n4ncnc4N3)C2)C1 19592609 XJSYFOWSSAMOSA-CQJMVSDSSA-N 415.460 3.010 0 40 HGAB Cc1cccc(-c2noc(CCC(=O)N[C@@H]3CC(=O)N(c4ccc(F)cc4)C3)n2)c1 19656239 XGHCXQPNSHJPLW-QGZVFWFLSA-N 408.433 3.038 0 40 HGAB COc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccccc3C)C2)cc1 19857798 KHTZJFJXQXCZRH-QGZVFWFLSA-N 402.516 3.184 0 40 HGAB O=C(COc1ccc(Cl)cc1S(=O)(=O)N1CCCC1)Nc1cccc(F)c1 19935273 QAUQCOVTSFYOTL-UHFFFAOYSA-N 412.870 3.281 0 40 HGAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(F)c(F)c2F)cc1C 20015179 KMYCSWOSGIHSFT-UHFFFAOYSA-N 416.421 3.070 0 40 HGAB Cc1cc(C)n2nc(C(=O)O[C@@H](C(=O)Nc3ccc(F)cc3)c3ccccc3)nc2n1 21161730 IZSGUCFHZGSDGA-GOSISDBHSA-N 419.416 3.417 0 40 HGAB Cc1ccc(CN2CCN(C(=O)[C@@H](C)n3cc(Br)c(C)n3)CC2)cc1 22418595 JJVBUJQSGWNKHF-MRXNPFEDSA-N 405.340 3.168 0 40 HGAB CCOc1ccc(CCC2CCN(C(=O)COc3ccc(C(N)=O)cc3)CC2)cc1 22435698 NEUBXNNGDMJZFQ-UHFFFAOYSA-N 410.514 3.434 0 40 HGAB COc1ccc(OC[C@H](O)CN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 22573391 YONNLLULYFWHBW-GOSISDBHSA-N 410.436 3.276 0 40 HGAB CCC(=O)c1ccc(OC[C@H](O)CN2CCN(c3ccc(Cl)cc3)CC2)cc1 22608880 OWTBMYDTJGWTMY-HXUWFJFHSA-N 402.922 3.495 0 40 HGAB CN1CCN([C@@H](CNC(=O)c2ccc(Br)cc2)c2cccs2)CC1 22789450 BHRPYISUCGRBJW-INIZCTEOSA-N 408.365 3.229 0 40 HGAB O=C(CN1CCN(c2ccccn2)CC1)N[C@H](Cc1ccccc1)c1ccccc1 23864625 YGGOEJOXWCCGPB-HSZRJFAPSA-N 400.526 3.304 0 40 HGAB COC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1csc(COc2ccc(C)cc2)n1 24470380 FVVGPVBLEZPNJT-FQEVSTJZSA-N 424.522 3.474 0 40 HGAB O=S(=O)(c1ccccc1Br)N1CCCN(Cc2cccs2)CC1 30383572 QASWYGUFKSBPOM-UHFFFAOYSA-N 415.378 3.407 0 40 HGAB Cc1cccc(C)c1NC(=O)COC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 30953228 UKCQXIJCFNCSMR-HNNXBMFYSA-N 400.862 3.492 0 40 HGAB Cc1nc(NC(=O)c2cc(C3CC3)nn2-c2ccccc2)sc1SCC(N)=O 31798478 MOIFFIHIHIBVPL-UHFFFAOYSA-N 413.528 3.344 0 40 HGAB CC(=O)NCCc1ccc(C(=O)COC(=O)CCC(=O)c2cc(C)sc2C)cc1 32568643 XLPAYNVCWPSTSV-UHFFFAOYSA-N 415.511 3.433 0 40 HGAB CCCNC(=O)[C@@H]1CCCN(c2nc3ccsc3c(=O)n2-c2ccc(C)cc2)C1 33302476 YBJRSHHGVBFBMB-MRXNPFEDSA-N 410.543 3.498 0 40 HGAB COc1cc(OC)c2c(C)c(CC(=O)Nc3nnc(CC(C)C)s3)c(=O)oc2c1 36365042 DRABLTRGVYLIME-UHFFFAOYSA-N 417.487 3.350 0 40 HGAB CCN1C(=O)/C(=C/c2cn(CC(=O)N3CCC(C)CC3)c3ccccc23)N(C)C1=S 39556469 PGHZVOGFBVMRNK-MOSHPQCFSA-N 424.570 3.320 0 40 HGAB CN1CCCN(c2ccc(NC(=O)NCCCOCc3ccco3)cc2F)CC1 45157814 HDAGWGOQBQWVSN-UHFFFAOYSA-N 404.486 3.289 0 40 HGAB Cc1cc2nn(CC(=O)Nc3ccc(F)cc3)c(=O)n2c(Nc2ccccc2C)n1 49410631 NMISADJUSOBBKI-UHFFFAOYSA-N 406.421 3.029 0 40 HGAB CC(C)(C)NS(=O)(=O)c1ccccc1CNC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1 65078522 HBAHOUXSCMCAJN-ZWKOTPCHSA-N 404.507 3.322 0 40 HGAB O=C(CN1CCN(c2ccccc2F)CC1)N1c2ccccc2NC(=O)C12CCCC2 70039111 YDIFZWGHWIHIMF-UHFFFAOYSA-N 422.504 3.246 0 40 HGAB COc1ccc(CNC(=O)c2cn(-c3ccc(-c4nc(C(C)C)no4)cn3)cn2)cc1 71768314 DIMSUUGWYUTMDI-UHFFFAOYSA-N 418.457 3.379 0 40 HGAB CN1CCN(C(=O)N[C@H](c2cccc(F)c2)c2nccn2C)[C@@H](c2ccccc2)C1 72261181 JOHBPGFSULYCRU-NHCUHLMSSA-N 407.493 3.347 0 40 HGAB O=C(CN1CCn2cccc2[C@H]1c1ccccc1)Nc1ccc(N2CCOCC2)cc1 84525734 WQGSTLTWKLCPCY-RUZDIDTESA-N 416.525 3.368 0 40 HGAB O=C(N1CC(S(=O)(=O)c2ccc(Cl)cc2)C1)C1(c2ccccc2)CCOCC1 96104421 TZHJPBVCWLNKDR-UHFFFAOYSA-N 419.930 3.073 0 40 HGAB O=S(=O)(NCCn1nc(-c2ccccn2)c2c1CCCC2)c1c(F)cccc1F 96121516 YBCUOPKMYAIBQD-UHFFFAOYSA-N 418.469 3.081 0 40 HGAB Cc1cc(C)cc(NC(=O)CCCN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)c1 113966056 CUTKIKJHFMKLAM-UHFFFAOYSA-N 418.515 3.260 0 40 HGAB O=C(CN1c2ccc(F)cc2-c2ccccc2S1(=O)=O)N[C@H]1C[C@@H]2CC[C@@H]1C2 216219980 LOBUYTFHSKPYSQ-LBTNJELSSA-N 400.475 3.306 0 40 HGAB CC(C)OCCCNc1ccc(C(=O)O)cc1S(=O)(=O)NCc1ccccc1 217473982 TXZXJQLVNQYYKD-UHFFFAOYSA-N 406.504 3.090 0 40 HGAB CC[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)N(c1ccc(OC)cc1)S(C)(=O)=O 220657602 XDOGDQMTWNUSIL-IFXJQAMLSA-N 408.495 3.256 0 40 HGAB C[C@@H](NC(=O)c1ccc(N(C)S(=O)(=O)N(C)C)cc1)c1ccc2c(c1)CCCC2 222952029 NWVLGIVJKMCTGI-MRXNPFEDSA-N 415.559 3.299 0 40 HGAB COc1ccc(CN(C(C)=O)[C@H](Cc2ccccc2)C(=O)NCc2cccnc2)cc1 223260450 GKYCASFMJJMGMD-XMMPIXPASA-N 417.509 3.366 0 40 HGAB CCc1ccc(OCCNC(=O)[C@H](CC)N(c2ccc(F)cc2)S(C)(=O)=O)cc1 224310566 LAVDGHZRGDRUJA-FQEVSTJZSA-N 422.522 3.128 0 40 HGAB CCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)COc1ccccc1OC 224555331 VILOJHNLILJQJN-LJQANCHMSA-N 414.502 3.026 0 40 HGAB CC(C)n1c(=O)sc2cc(NC(=O)c3cccc(S(=O)(=O)N(C)C)c3)ccc21 225182248 WTMWUYLMGMJTSP-UHFFFAOYSA-N 419.528 3.147 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)N[C@@H]1C[C@@H]2CC[C@@H]1C2 225183816 CKBOOPKFUAIBCO-MBOZVWFJSA-N 420.575 3.107 0 40 HGAB C[C@@H](Cc1ccc2c(c1)CCO2)NS(=O)(=O)c1ccc(Br)s1 225602866 HNZPRFYKAASFBY-JTQLQIEISA-N 402.335 3.355 0 40 HGAB COc1ccc2c(c1)CCC[C@@]2(O)CNC(=O)COc1cccc2c1OC(C)(C)C2 225710838 CSYAHTKFYNHJGR-XMMPIXPASA-N 411.498 3.128 0 40 HGAB COC[C@]1(C(N)=S)[C@H](c2cccc(F)c2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 242728177 YWMSUMHBLYVBPE-NUJGCVRESA-N 413.923 3.338 0 40 HGAB CCn1nc(C)c(NC(=O)[C@H]2C[C@H]3CC[C@H]2C[C@@]32NC(=O)c3ccccc3O2)c1C 249697479 UUURFQVKLVZAMA-FIEAQMJYSA-N 408.502 3.413 0 40 HGAB O=C(c1cc2ccc(F)cc2[nH]1)N1CCC[C@@](O)(CN2CCC(F)(F)CC2)CC1 257280675 OLWBCKRDBQHMCW-FQEVSTJZSA-N 409.452 3.395 0 40 HGAB CNC(=O)c1sc2nc(C3(C)CCN(C(=O)c4ccccc4)CC3)ccc2c1N 257299657 RQZBZVHNEJLNJC-UHFFFAOYSA-N 408.527 3.432 0 40 HGAB O=C(CSc1n[nH]c(-c2cc(Br)ccc2O)n1)Nc1nccs1 408544414 IOKQOUDQURWASD-UHFFFAOYSA-N 412.294 3.127 0 40 HGAB CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)NC[C@@H](O)c2ccccc2)cc1 408725780 HSNBWEOIEYALTD-JOCHJYFZSA-N 424.522 3.116 0 40 HGAB O=C(c1ccc(Br)cc1)N1N=C(c2cccnc2)C[C@@]1(O)C(F)(F)F 408751561 YHXKABVAHNCLFL-OAHLLOKOSA-N 414.181 3.345 0 40 HGAB CCn1c(CNC(=O)Cc2ccccc2)nnc1SCC(=O)Nc1cccc(C)c1 409164731 MXMXSHGREKCNSJ-UHFFFAOYSA-N 423.542 3.196 0 40 HGAB Cc1ccc(C(=O)N2CCC[C@H](C(=O)NCc3ccn(-c4ccccc4)n3)C2)cc1 516000143 AWGWGIAJLLKTKT-FQEVSTJZSA-N 402.498 3.349 0 40 HGAB O=C1COC[C@@]2(CN(Cc3ccc(F)cc3Cl)CCO2)CN1c1ccccc1 2037983715 CZNVIBCVGAFIGH-OAQYLSRUSA-N 404.869 3.114 0 40 HGAB CC1=C[C@H]2C=C(C)[C@@H](C)[C@H]3[C@H](CC(C)C)NC(=O)[C@@]23C(=O)CC[C@H](O)C(=O)CC1 2048392522 GBCXTRJHTIEBIA-QXNZBSIWSA-N 401.547 3.365 0 40 HGAB biogenic CN1CC[C@@]2(C(=O)Nc3cccnc3)CCN(Cc3ccc(F)c(F)c3)CC[C@@H]12 2055793484 JEOKXLLGHKQPNZ-IFMALSPDSA-N 400.473 3.285 0 40 HGAB COc1ccc(-c2nnc3c4ccccc4c(C)nn23)cc1S(=O)(=O)N1CCCC1 1425807 LJBGFWCSYLYJPG-UHFFFAOYSA-N 423.498 3.046 0 40 HGAB C[C@H](Nc1ccc(I)cc1)C(=O)NC(=O)NC1CCCCC1 3371819 HLDUNUDEMUDOMR-NSHDSACASA-N 415.275 3.250 0 40 HGAB CN1CCN(c2nc(N(c3ccccc3)c3ccccc3)nc(-n3ccnc3)n2)CC1 4171629 BSRLZKHNKKHZHE-UHFFFAOYSA-N 412.501 3.279 0 40 HGAB O=C1N[C@@H]2CCN(C(=O)c3ccc(C(F)(F)F)cc3)[C@@H]2C(=O)N1c1ccc(F)cc1 4278005 YOZFMDXZCWBSCS-CVEARBPZSA-N 421.350 3.184 0 40 HGAB biogenic,in-vitro CCCn1c(SCC(=O)Nc2ccc3c(c2)OCCO3)nnc1-c1cccnc1 4861000 HXBMYESGCCHKLW-UHFFFAOYSA-N 411.487 3.252 0 40 HGAB Cc1cc(S(=O)(=O)Nc2ccccc2N2CCOCC2)ccc1Br 5126681 XGLSABDIXRRZJI-UHFFFAOYSA-N 411.321 3.395 0 40 HGAB COc1ccc2c(CC(=O)O[C@@H](C(=O)N3CCOCC3)c3ccccc3)coc2c1 5505065 FKFKLPMKLDCYAQ-JOCHJYFZSA-N 409.438 3.127 0 40 HGAB COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C)Cc2ccco2)cc1 6302865 QARKCDWEJZKSBU-UHFFFAOYSA-N 414.483 3.426 0 40 HGAB C[C@H](OC(=O)c1c2c(nc3ccccc13)CC[C@@H](C(C)(C)C)C2)C(=O)N1CCNC1=O 7119927 YBGUEHJAZZOICV-LSDHHAIUSA-N 423.513 3.483 0 40 HGAB CC(=O)[C@H](C)OC(=O)c1ccc(CNS(=O)(=O)c2ccc(F)c(Cl)c2)cc1 7737375 XHRGYPJPLZQDMX-LBPRGKRZSA-N 413.854 3.092 0 40 HGAB COc1ccc(-c2nnn(CC(=O)N[C@H](C)c3ccc(CC(C)C)cc3)n2)cc1OC 7977639 TVXSJMKSGKRIBB-MRXNPFEDSA-N 423.517 3.433 0 40 HGAB C[C@H](NC(=O)COC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1)c1ccccc1 8036431 BEVCNPJWOCGFFB-GOEBONIOSA-N 400.862 3.114 0 40 HGAB Cc1ccc(NC(=O)CN(C)C(=O)C2CCN(C(=O)Nc3ccccc3)CC2)cc1 8128890 IGTZESJKQPUUIZ-UHFFFAOYSA-N 408.502 3.336 0 40 HGAB O=S(=O)(c1ccc(-c2csc(-c3ccc(O)cc3)n2)cc1)N1CCOCC1 8297618 AGFHYKNEBFWXIZ-UHFFFAOYSA-N 402.497 3.204 0 40 HGAB COc1ccc(-c2nnn(CCOc3ccc(Br)cc3)n2)cc1OC 8327828 YQPQLYJVMXPLKI-UHFFFAOYSA-N 405.252 3.199 0 40 HGAB CCN(Cc1ccc(OC)c(F)c1)C(=O)c1cc(NC(C)=O)cc(NC(C)=O)c1 8401190 WDXIWYSFXCLJGX-UHFFFAOYSA-N 401.438 3.413 0 40 HGAB COC(=O)N1CCc2c(sc(NC(=O)/C=C/c3ccccc3Cl)c2C(N)=O)C1 9325310 UKCZBMQWPDTQOB-VOTSOKGWSA-N 419.890 3.277 0 40 HGAB Cc1cc(NC(=O)C2CC2)sc1C(=O)Nc1cc(C(N)=O)ccc1N1CCCC1 9906067 NMMCQPTWBXGEAG-UHFFFAOYSA-N 412.515 3.356 0 40 HGAB COc1ccc(Cl)cc1N([C@@H](C)C(=O)N1CCCc2ccccc21)S(C)(=O)=O 10449610 LIJJRUOPLADAEG-AWEZNQCLSA-N 422.934 3.483 0 40 HGAB COc1ccc(OC[C@H](C)NC(=O)c2ccccc2I)cc1 10542560 JNBSPFYTWWRINW-LBPRGKRZSA-N 411.239 3.497 0 40 HGAB Fc1cccc(Cl)c1CSc1nnc(N2CCOCC2)n1C[C@@H]1CCCO1 11762265 QTYZVIYNMXMHHP-ZDUSSCGKSA-N 412.918 3.379 0 40 HGAB CC[C@H](C)C(=O)N1CCC[C@@H](c2nc(N3CCOCC3)ncc2-c2cccnc2)C1 12120621 FHOLDZSULCJUDA-PKOBYXMFSA-N 409.534 3.127 0 40 HGAB CC[C@@H](Cn1nc(-c2ccc(F)c(F)c2)ccc1=O)NC(=O)Cc1ccccc1F 12145366 QKGMSZHWXCPPRT-INIZCTEOSA-N 415.415 3.465 0 40 HGAB Cn1ccnc1[C@H](NS(=O)(=O)c1ccc(Br)cc1)c1ccc(F)cc1 12540648 CSVLEEVZVPJMHY-MRXNPFEDSA-N 424.295 3.390 0 40 HGAB Cc1cc(C)cc(NC(=O)[C@H](OC(=O)[C@@H]2CCCN(C(N)=O)C2)c2ccccc2)c1 12689147 KCPRUBHVVAWAKQ-UYAOXDASSA-N 409.486 3.317 0 40 HGAB CCOc1cc2c(cc1CNC(=O)c1c(C)nsc1NC(=O)OC)O[C@@H](C)C2 12739213 YLDANPINQFBACY-JTQLQIEISA-N 405.476 3.282 0 40 HGAB CC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)/C=C/c3ccsc3)CC2)cc1 12745341 BXSRLUGEJZUNNB-FPYGCLRLSA-N 404.557 3.418 0 40 HGAB COc1cccc(CC(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)c1 12758167 KCOGLQJXPNJODF-UHFFFAOYSA-N 402.516 3.441 0 40 HGAB Cc1cc(NC(=O)CSc2nnnn2-c2ccccc2)n(-c2ccc(F)cc2)n1 12822327 FJDDKGLYRLHNJE-UHFFFAOYSA-N 409.450 3.026 0 40 HGAB COC(=O)C1=C(C)N(c2ccc3c(c2)OCCO3)C(=O)N[C@@H]1c1ccc(OC)cc1 12850135 IHJNVCNHTACZNO-HXUWFJFHSA-N 410.426 3.184 0 40 HGAB COc1ccc(OC)c(S(=O)(=O)NCCc2csc(-c3ccc(F)cc3)n2)c1 16944909 RXFMUGCCLVRXJO-UHFFFAOYSA-N 422.503 3.487 0 40 HGAB COc1cc([C@H]2CC(=O)Nc3nc(C)[nH]c(=O)c32)ccc1OCCc1ccccc1 17028051 LIYGFXZLJLKJJR-QGZVFWFLSA-N 405.454 3.183 0 40 HGAB Cc1nc(NC(=S)NC(=O)c2ccccc2F)ccc1I 17090189 BSCXMVRKTSWFCO-UHFFFAOYSA-N 415.231 3.261 0 40 HGAB CCOc1cc2c(cc1NS(=O)(=O)c1ccc3c(c1)CCC(=O)N3)O[C@H](C)C2 17520644 FYAJHQLZEUYGOG-GFCCVEGCSA-N 402.472 3.094 0 40 HGAB CC(C)C[C@@H](C(=O)N(C)Cc1ccc2c(c1)OCO2)N1C(=O)c2ccccc2C1=O 18156277 ZXCXIQULMZICIH-SFHVURJKSA-N 408.454 3.085 0 40 HGAB Cc1nc(S[C@@H](C)C(=O)N2CC(=O)Nc3ccccc32)n(C[C@@H]2CCCO2)c1C 18596255 UFHDMEZMTLRLGZ-HOTGVXAUSA-N 414.531 3.145 0 40 HGAB CC(C)C(=O)N1CCCC[C@H]1c1nc(O)c2c(n1)CCN(C(=O)C1CCCCC1)C2 19085687 RIOYEGREETXNKO-IBGZPJMESA-N 414.550 3.357 0 40 HGAB Cc1cccc(CC(=O)N2CCCC[C@H]2c2nn(CCO)cc2-c2cc(C)no2)c1 19234737 ZCCKJEVGLZHICG-FQEVSTJZSA-N 408.502 3.444 0 40 HGAB C[C@H]1CN(C(=O)c2c[nH]nc2C2CCN(Cc3ccccc3F)CC2)C[C@@H](C)O1 19497344 GELQOBTXWFMBTM-IYBDPMFKSA-N 400.498 3.178 0 40 HGAB COc1ccc(CCNc2ncc(-c3cnccn3)c([C@H]3CCCO3)n2)cc1OC 19560665 XEZODQRRZLXIOF-LJQANCHMSA-N 407.474 3.457 0 40 HGAB Cc1nc([C@H]2CCCN(C(=O)c3cc[nH]n3)C2)nc2c1CCCN2Cc1ccccc1 19707883 BPAICVHEFSCZOZ-IBGZPJMESA-N 416.529 3.481 0 40 HGAB COc1ccc(-c2ccnc3c(C(=O)N4CCC[C@@H](N5CCCC5)C4)cnn23)cc1 19719043 BZVWREPYKBMHFH-GOSISDBHSA-N 405.502 3.105 0 40 HGAB O=C(Nc1ccc(F)c(F)c1)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(F)cc2)C1 19863134 NDQFBOSDFRRXLC-CQSZACIVSA-N 412.433 3.284 0 40 HGAB C[C@@H](CCc1ccccc1)NC(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 19930748 CVVWDVXXLCYWTM-KRWDZBQOSA-N 400.544 3.197 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(F)c(F)c3)CC2)cc1C 20016691 GMOPVQRPBSYGES-UHFFFAOYSA-N 424.469 3.321 0 40 HGAB O=C(CN1CCN(Cc2nc3ccccc3s2)CC1)Nc1ccnn1C1CCCC1 22780364 ZWJZFVJPTGEAIA-UHFFFAOYSA-N 424.574 3.364 0 40 HGAB COc1ccc(CN(C)C(=O)COC(=O)c2cc(-c3ccc(C)cc3)n[nH]2)cc1OC 22989224 IORQNVNMKTVGBS-UHFFFAOYSA-N 423.469 3.218 0 40 HGAB C[C@H](NC(=O)CN1C(=O)N[C@@]2(CCCC[C@@H]2C)C1=O)c1ccc(C(F)(F)F)cc1 23150320 YWHWNNNXTGWVEF-WTOJCKNJSA-N 411.424 3.383 0 40 HGAB CCCc1nnc(S)n1CC(=O)Nc1nnc(C23CC4CC(CC(C4)C2)C3)s1 24981112 IPSKNZYGLFBRMG-UHFFFAOYSA-N 418.592 3.477 0 40 HGAB Cc1ccc(-c2nnc(SCC(=O)N3CCN(Cc4ccccc4)CC3)n2C)cc1 25365249 GVNAWRJJUMZWDY-UHFFFAOYSA-N 421.570 3.227 0 40 HGAB CCc1cccc(N2C[C@@H](C(=O)NCc3ccc(Cn4ccnc4)cc3)CC2=O)c1 30216724 QGBBPUNNGVZFBT-NRFANRHFSA-N 402.498 3.163 0 40 HGAB COc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1 30359592 FBBSMTAMGKNUCV-UHFFFAOYSA-N 402.516 3.351 0 40 HGAB COc1ccc(CCNC(=O)[C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)cc1 32675734 OSFBFZMWIATCFN-HNNXBMFYSA-N 406.404 3.426 0 40 HGAB CS(=O)(=O)c1ccccc1NC(=O)COc1ccc(NC(=O)c2ccccc2)cc1 32764969 UEAMGAAVMQKGLY-UHFFFAOYSA-N 424.478 3.360 0 40 HGAB O=C(CN1C(=O)N[C@H](CCc2ccccc2)C1=O)Nc1ccc(N2CCCCC2)cc1 32910612 VZOMAXUDRVVNNR-OAQYLSRUSA-N 420.513 3.169 0 40 HGAB COc1ccc2cc(-c3ccc(OC[C@@H](O)CNC(C)(C)C)cc3)n(C)c(=O)c2c1 34167971 MZELTXWHFDTAOO-SFHVURJKSA-N 410.514 3.342 0 40 HGAB in-man O=C1C[C@@H](c2ccccc2)Cc2[nH]c(=O)c(C(=O)Nc3ccc4c(c3)OCCO4)cc21 35506368 CUVGZWQXUQACGV-HNNXBMFYSA-N 416.433 3.311 0 40 HGAB Cc1ccc(NC(=O)C[C@@H]2C(=O)N[C@@H]3CCCC[C@@H]3N2C(=O)C(C)C)cc1Cl 37065741 CYZOPOBSYHLUIY-FGTMMUONSA-N 405.926 3.271 0 40 HGAB COc1ccc(NC(=O)[C@H](C)N2CCC[C@H](C(=O)Nc3ccccc3)C2)cc1OC 37198747 QQQBRAZHXJZUKP-IRXDYDNUSA-N 411.502 3.382 0 40 HGAB Cc1ccccc1NC(=O)[C@H]1CC(=O)Nc2nc(Nc3ccc(F)cc3)[nH]c(=O)c21 40399613 QQYGSLAGMVUJJY-AWEZNQCLSA-N 407.405 3.026 0 40 HGAB CC[C@H](NC(=O)[C@H](C)N(c1ccc(F)cc1)S(C)(=O)=O)c1ccc(OC)cc1 44901290 MNZOOKQEZDFTIT-LIRRHRJNSA-N 408.495 3.256 0 40 HGAB O=C(NC1CCN(c2ncccn2)CC1)c1cc2cc(Br)ccc2[nH]1 47118927 SGVRHQYFAYAZQP-UHFFFAOYSA-N 400.280 3.119 0 40 HGAB O=C1C[C@H](C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)CN1c1ccccc1F 48368026 YHHBBFNPXSLYED-WMZOPIPTSA-N 410.445 3.314 0 40 HGAB COc1ccc(OC)c([C@H]2CCCN2[C@H](C(=O)N2CCOCC2)c2ccccc2)c1 57369310 AMTVJXRHFUKFRC-GGAORHGYSA-N 410.514 3.441 0 40 HGAB CCOc1ccc(NC(=O)Cn2c(=O)n(CCC(C)C)c(=O)c3ccccc32)cc1 57525808 VCVCYVRPJCPRCJ-UHFFFAOYSA-N 409.486 3.247 0 40 HGAB COc1ccc(CCC(=O)N2CCCN(C(=O)Cc3c[nH]c4ccccc34)CC2)cc1 58172759 GVDAQEGLOALYKW-UHFFFAOYSA-N 419.525 3.413 0 40 HGAB COC(=O)c1cc(S(=O)(=O)N[C@H]2CCc3ccccc32)ccc1Br 58392696 WIXFCJULMYZOBD-INIZCTEOSA-N 410.289 3.202 0 40 HGAB Cc1nn(Cc2ccccc2)c(C)c1C(=O)N[C@@H]1CCN(Cc2ccccc2)C1=O 58438581 YUGKJHQCHODIFI-OAQYLSRUSA-N 402.498 3.079 0 40 HGAB Cc1cccc(NC(=O)CN2C(=O)N[C@@H](c3cc(C)ccc3C)C3=C2COC3=O)c1 67288688 WHRKJCPIATVYKI-NRFANRHFSA-N 405.454 3.128 0 40 HGAB COc1ccc(/N=c2\oc3cc(O)ccc3cc2C(=O)NC[C@H]2CCCO2)cc1F 67298874 SXUDRDQQVUEAFD-WGJYXZIMSA-N 412.417 3.427 0 40 HGAB O=C(NCC1(c2ccc3c(c2)OCO3)CCOCC1)[C@@H]1CCCN1Cc1ccccc1 70038159 ZSJLHQBCNZFGAY-NRFANRHFSA-N 422.525 3.244 0 40 HGAB Cc1nn([C@H]2CCS(=O)(=O)C2)c2c1[C@H](c1ccccc1Br)CC(O)=N2 71279150 YDIUOHSFDDKKKE-AAEUAGOBSA-N 424.320 3.437 0 40 HGAB O=C(Cn1nc(-c2ccc(F)cc2)ccc1=O)Nc1nc(-c2cccnc2)cs1 71283147 DVUZIZLMXXOOGC-UHFFFAOYSA-N 407.430 3.207 0 40 HGAB CCC(=O)N1CCC(c2cc3nc4c(c(O)n3n2)CN(C2CCCCC2)CC4)CC1 72330525 CWBIMMUYVSNFSX-UHFFFAOYSA-N 411.550 3.242 0 40 HGAB O=S(=O)(c1cn[nH]c1)N1CCC(c2cccc(Cc3ccc(F)cc3)n2)CC1 72350426 NHRJETPHFSIMOR-UHFFFAOYSA-N 400.479 3.103 0 40 HGAB Cc1cc(-c2cncnc2)cc([C@H]2CCN(C(=O)CCc3nnc(C(C)C)o3)C2)n1 72374724 AWUUOQXNYLWNPX-INIZCTEOSA-N 406.490 3.302 0 40 HGAB Cc1nc([C@@H]2CCCCN2C(=O)c2cc[nH]n2)nc2c1CC(=O)N2CC1CCCCC1 72380216 PCLICHXJMMPQGN-IBGZPJMESA-N 422.533 3.345 0 40 HGAB COc1ccccc1CNC(=O)C(=O)NC[C@@](C)(O)c1ccc(-c2ccccc2)cc1 77102352 BOGLNKXGSVNEMV-RUZDIDTESA-N 418.493 3.002 0 40 HGAB O=C(Cn1nc(C2CC2)n(-c2ccccc2)c1=O)N1CCC(Cc2ccccc2)CC1 77198077 AGYAXUGIUMMYIF-UHFFFAOYSA-N 416.525 3.393 0 40 HGAB Cc1nn(Cc2ccccc2Cl)c(C)c1/C=C/C(=O)NCc1csc(=O)[nH]1 89520857 HNPSAQMOUJSTFB-BQYQJAHWSA-N 402.907 3.281 0 40 HGAB COc1ccc(CCC(=O)Nc2cccc(N3CCOCC3)c2C)c(OC)c1OC 95458593 IMBIATCCQHQMIC-UHFFFAOYSA-N 414.502 3.429 0 40 HGAB CC(C)C(=O)N1CCC2(CC1)O[C@@H](C(=O)Nc1ccc(Cl)cc1)Cn1ccnc12 96144651 OIAFIKZIQNHTMF-QGZVFWFLSA-N 416.909 3.048 0 40 HGAB CN1C(=O)CC[C@H](C(=O)N2CCN(Cc3ccccc3)CC2)[C@@H]1c1ccc(F)cc1 96182569 JVEWLUBLUCCFAF-GMAHTHKFSA-N 409.505 3.080 0 40 HGAB Cc1ccc(Cl)cc1N(CC(=O)NCc1ccccc1Cl)S(C)(=O)=O 113934495 UBADLMRRFRYNBX-UHFFFAOYSA-N 401.315 3.384 0 40 HGAB O=C(CN1C(=O)[C@@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C1=O)Nc1ccc(Oc2ccccc2)cc1 222464647 BHLDCODYWYEGSQ-LCDLLCBDSA-N 414.461 3.471 0 40 HGAB COc1cccc(N(CCCC(=O)NCCc2ccc(Cl)cc2)S(C)(=O)=O)c1 224690343 SFZASYIXIQRENK-UHFFFAOYSA-N 424.950 3.254 0 40 HGAB CCN(c1ccc(Cl)c(C(=O)OC)c1)S(=O)(=O)c1ccc(OC)c(OC)c1 224813707 DNQGPQLLYCPVQC-UHFFFAOYSA-N 413.879 3.359 0 40 HGAB CN(C)S(=O)(=O)c1ccc(CNC(=S)Nc2ccc3sncc3c2)cc1 225214285 ZZCBRHNNSNVPED-UHFFFAOYSA-N 406.558 3.033 0 40 HGAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)COc1ccccc1 225496299 OUOKOBWAEYMGEB-QHCPKHFHSA-N 402.494 3.452 0 40 HGAB CO[C@H]1CN(CC(=O)Nc2ncc(Cc3ccccc3F)s2)CC[C@@]12CCCO2 257202173 AKTIOZUGYUPCOF-RXVVDRJESA-N 419.522 3.081 0 40 HGAB O=C(c1nccc2ccccc12)N1CCO[C@@H](c2cccc(Nc3nncs3)n2)C1 257220201 DJYNGKOTCRQYRK-QGZVFWFLSA-N 418.482 3.439 0 40 HGAB O=C(NCC[C@@H]1CCCCN1C(=O)c1cccc(Cn2cncn2)c1)c1ccccc1 257256501 KLSVOOKDYJVWNY-QFIPXVFZSA-N 417.513 3.141 0 40 HGAB CC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3N(C(=O)c1cncnc1)[C@H]2Cc1ccccc1 257330023 XMLIXLOQWKSZJA-CHSSDKTLSA-N 404.514 3.092 0 40 HGAB O=C1N(Cc2ccc(F)cc2)CCO[C@]12CN(Cc1ccco1)C[C@H]2c1cccnc1 306127039 FMEVUBULSOEPEA-UPVQGACJSA-N 421.472 3.211 0 40 HGAB CCOc1ccc(S(=O)(=O)N(CC(=O)N2CCCCC2)Cc2ccccc2)cc1 408636936 WMEHWTPRMHSOEH-UHFFFAOYSA-N 416.543 3.289 0 40 HGAB COc1cc(C)c(/C=C2\SC(=O)N(CC(=O)N3CCCC[C@@H]3C)C2=O)cc1OC 409208525 CEAWMETVNGHXGI-DZBQEORWSA-N 418.515 3.450 0 40 HGAB O=C(CSc1nc2ncccc2[nH]1)Nc1ccccc1I 1418813 CLQUYCJIJAOMTL-UHFFFAOYSA-N 410.240 3.293 0 40 HGAB CCCNC(=O)c1c(N)n(-c2ccc(C(=O)OC)cc2)c2nc3ccccc3nc12 2264049 KQYYEBHAEUCXNY-UHFFFAOYSA-N 403.442 3.082 0 40 HGAB COc1cccc(-n2c(N)c(C(=O)NC[C@H]3CCCO3)c3nc4ccccc4nc32)c1 3322017 YAHLLMSDKSOGIX-MRXNPFEDSA-N 417.469 3.073 0 40 HGAB Cc1ccsc1C(=O)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 3351229 FZMQQGWXHCASON-UHFFFAOYSA-N 418.462 3.222 0 40 HGAB COc1ccc2c(COC(=O)C[C@@H]3Sc4ccccc4NC3=O)cc(=O)oc2c1 3363263 ANIJAGIIVRSADG-SFHVURJKSA-N 411.435 3.348 0 40 HGAB aggregator CC1CCN(S(=O)(=O)c2ccc(C(=O)Oc3ccc4c(c3)OCO4)cc2)CC1 3552244 IENHAIDNAIRRLT-UHFFFAOYSA-N 403.456 3.055 0 40 HGAB Cc1ccc(-c2nnc(SCC(=O)NCC34CC5CC(CC(C5)C3)C4)n2N)cc1 5021538 BJHNUQVZCKKCGA-UHFFFAOYSA-N 411.575 3.392 0 40 HGAB COc1cccc(-c2nnc(SCC(=O)Nc3cc(Cl)ccc3C)n2N)c1 5047491 TXXVZTDZQPDGOP-UHFFFAOYSA-N 403.895 3.360 0 40 HGAB Cc1cc(OCC(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)ccc1Cl 5099904 XBSXQFCVNVLEHY-CQSZACIVSA-N 413.948 3.305 0 40 HGAB O=C(Cn1nc(-c2ccc(Br)cc2)ccc1=O)Nc1cccc(F)c1 5398070 AWNFVUKYTILWEK-UHFFFAOYSA-N 402.223 3.451 0 40 HGAB O=C(NCc1ccccn1)C1CCC(CNS(=O)(=O)c2ccc(Cl)cc2)CC1 6023610 HJSYCUQMVWOOKU-UHFFFAOYSA-N 421.950 3.136 0 40 HGAB CCCCCNC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O 6596906 DTQIYLCHWQQQGO-UHFFFAOYSA-N 400.850 3.431 0 40 HGAB COc1ccc2c(C)c(CCC(=O)N3CCN(c4ccccc4)CC3)c(=O)oc2c1 6660900 OOYFPBCFJSSHEX-UHFFFAOYSA-N 406.482 3.391 0 40 HGAB CC(C)Cn1c(=O)c2ccccc2n2c(CCC(=O)NCc3cccs3)nnc12 6803161 SPOHWBPFJLIXIQ-UHFFFAOYSA-N 409.515 3.011 0 40 HGAB Cc1cccc(C)c1NC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1 7247577 VFVJIAQCSAGWTJ-UHFFFAOYSA-N 411.321 3.325 0 40 HGAB COc1ccc(S(=O)(=O)Nc2cccc(C(C)=O)c2)cc1C(=O)N1CCCCC1 7361536 HSLOILDVKXULMT-UHFFFAOYSA-N 416.499 3.325 0 40 HGAB Cc1cccc(C)c1OC(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1 7658023 DPKWAMFWGODMNM-IAGOWNOFSA-N 403.500 3.321 0 40 HGAB O=C([C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1)N1CCCc2ccccc21 7683713 GABQYPZEPUTFOS-LJQANCHMSA-N 404.919 3.473 0 40 HGAB CCOC(=O)c1c(NC(=O)c2ccc(OC)cc2OC)sc(C(=O)OC)c1C 8072098 NTGSIQZRVXGNID-UHFFFAOYSA-N 407.444 3.289 0 40 HGAB O=C(CSc1ncccn1)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2 8718346 WXKIVMLMIXMFHR-UHFFFAOYSA-N 408.439 3.188 0 40 HGAB CCCn1c(S[C@H](C)C(=O)NC[C@@H]2CCCO2)nc2sc(CC)cc2c1=O 9362201 VUDHVQIHWOJDLU-OLZOCXBDSA-N 409.577 3.206 0 40 HGAB O=C(COc1ccccc1)N(c1ccc(Br)cc1)[C@@H]1C=CS(=O)(=O)C1 9834003 HIAOXFRJYJFGHQ-MRXNPFEDSA-N 422.300 3.172 0 40 HGAB Cc1ccc(-n2c(-c3ccccc3)cn3c4c(=O)n(C)c(=O)n(C)c4nc23)cc1Cl 10101951 RDAASLPZVQIRBW-UHFFFAOYSA-N 419.872 3.304 0 40 HGAB COc1cccc(OC)c1C(=O)N1CCN(c2ccc(-c3ccc(C)cc3)nn2)CC1 11695243 HUCVLGCVVCYYNX-UHFFFAOYSA-N 418.497 3.432 0 40 HGAB CC(C)(C)OC(=O)Nc1ccc(CC(=O)Nc2ccc(N3CCOCC3)cn2)cc1 12539548 KZJKQOHIXLCRTA-UHFFFAOYSA-N 412.490 3.446 0 40 HGAB O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(OC(F)F)cc1 12758852 CIJBDEVIMJJIJC-UHFFFAOYSA-N 424.469 3.393 0 40 HGAB O=C(Nc1cccc(NC(=O)C2CCN(C(=O)c3ccncc3)CC2)c1)c1ccco1 12909277 XBMMOAOAOQPEGV-UHFFFAOYSA-N 418.453 3.418 0 40 HGAB O=C([C@H](c1ccccc1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2)N1CCOCC1 12983828 FNNGHTLITBJVNC-OFNKIYASSA-N 408.498 3.195 0 40 HGAB CC[C@H](C(=O)NCCSCc1ccccc1)N(c1ccccc1)S(C)(=O)=O 13711162 KPPRMDHHKQEYNR-LJQANCHMSA-N 406.573 3.281 0 40 HGAB CC(C)c1nnc(NC(=O)[C@@H]2CC(=O)N(CCc3c[nH]c4ccc(F)cc34)C2)s1 13944937 PRAGYAMPPKQZRY-CYBMUJFWSA-N 415.494 3.312 0 40 HGAB Cc1ccc(NC(=O)CN(C)C(=O)[C@@H](CC(C)C)N2C(=O)c3ccccc3C2=O)cc1 14651050 YMKKORONWXXRRL-HXUWFJFHSA-N 421.497 3.103 0 40 HGAB C[C@@H]1CCCC[C@@H]1NC(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 14799987 LFSPNHUTZUXZIQ-DYVFJYSZSA-N 400.491 3.060 0 40 HGAB COc1ccc(Cl)cc1N1C[C@H](C(=O)Nc2cccc(NC(C)=O)c2)CC1=O 15630851 BLTQEWMXXBRJCY-CYBMUJFWSA-N 401.850 3.299 0 40 HGAB COCCn1c(S[C@@H](C)C(=O)Nc2ccc(OC)cc2)nnc1-c1ccncc1 15852583 DVNWIVDGIFHXGE-AWEZNQCLSA-N 413.503 3.114 0 40 HGAB CN(C)CCNc1nc(Nc2ccc3c(c2)OCO3)c2cnn(-c3ccccc3)c2n1 16913675 KRRZFNCLDICZQJ-UHFFFAOYSA-N 417.473 3.261 0 40 HGAB CCn1ccc([C@H]2C(C(=O)Nc3ccccc3C)=C(C)Nc3nc(SC)nn32)n1 17088299 CQVUBGQDHQMZPZ-KRWDZBQOSA-N 409.519 3.452 0 40 HGAB O=C(NC(=S)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1)c1ccccc1 17090243 ICNMYYTWCWJNDA-UHFFFAOYSA-N 415.387 3.219 0 40 HGAB O=C(c1ccc(CN2CCOCC2)o1)N1CCC(c2noc3cc(F)ccc23)CC1 19346150 BNHFYZUDNPRRRZ-UHFFFAOYSA-N 413.449 3.412 0 40 HGAB Cc1cc(C)c(NC(=O)c2cc(C)nc(N3CCOCC3)n2)c(-c2cc(C)n[nH]2)c1 19660366 BNHZJPCVOMHDEV-UHFFFAOYSA-N 406.490 3.189 0 40 HGAB Cc1nn(C)cc1C(=O)N1CCC([C@@H]2CCCCN(Cc3ccccc3)C2=O)CC1 19743928 UMJSMGICPHSLDV-NRFANRHFSA-N 408.546 3.410 0 40 HGAB COCCNC(=O)c1cc([C@H]2CN(Cc3ccc(F)cc3)CCO2)nc2ccccc12 19759500 SLJLETVXFQJBKH-HSZRJFAPSA-N 423.488 3.324 0 40 HGAB CCc1c(C(=O)Nc2ccccc2C(=O)OC)nnn1-c1ccc(OC(F)F)cc1 19911067 KMGBLKGPDVHAMD-UHFFFAOYSA-N 416.384 3.470 0 40 HGAB COc1cc2c(cc1OC)N(C)S(=O)(=O)C(C(=O)N[C@@H](C)c1ccccc1)=C2C 20063923 VUDGNDHCAIXFLL-AWEZNQCLSA-N 416.499 3.092 0 40 HGAB CCOc1cc2c(cc1NS(=O)(=O)c1ccc3c(c1)OCCCO3)O[C@@H](C)C2 21900834 XKWTUIAIXDTKAM-ZDUSSCGKSA-N 405.472 3.371 0 40 HGAB Cc1ccc(OCCNC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1 22279222 SKMUHBSBGXHLQJ-UHFFFAOYSA-N 424.522 3.386 0 40 HGAB COc1cccc(NC(=O)Nc2cc(N3CCCS3(=O)=O)ccc2C)c1OC 22506049 CLONMCRTQGTFHL-UHFFFAOYSA-N 405.476 3.196 0 40 HGAB O=C(Nc1ccc(F)cc1)N1CCN(C(=O)c2cccc(Nc3ncccn3)c2)CC1 25085738 ZLPXYLJXLSWNCN-UHFFFAOYSA-N 420.448 3.349 0 40 HGAB CN([C@@H]1CCCc2ccccc21)S(=O)(=O)c1ccc(S(=O)(=O)C(F)F)cc1 26759028 LAWFYCPYSYVQEG-QGZVFWFLSA-N 415.483 3.381 0 40 HGAB CCc1ccc2oc(C(=O)NC[C@@H](c3ccc(C)cc3)N3CCOCC3)cc(=O)c2c1 28288980 CFCVGBUKGGYVDN-NRFANRHFSA-N 420.509 3.467 0 40 HGAB COC(=O)C[C@H](NC(=O)C[C@H](NC(N)=O)c1ccccc1C)c1ccccc1Cl 30373108 MFGGVQALLZXAHH-ROUUACIJSA-N 417.893 3.169 0 40 HGAB Cc1ccc(CN(C)C(=O)C2CCN(S(=O)(=O)Cc3ccc(F)cc3)CC2)cc1 30755604 IJOMTGMUIZYRLA-UHFFFAOYSA-N 418.534 3.335 0 40 HGAB C[C@H](NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1)c1ccc(F)cc1 30757189 JQGHMXJLRPLPKT-HNNXBMFYSA-N 422.497 3.384 0 40 HGAB Cc1cc(N2CCN(C(=O)CCc3nnc(-c4ccccc4)o3)CC2)nc(C(C)C)n1 31493912 YHXZGXVGPPSIHT-UHFFFAOYSA-N 420.517 3.240 0 40 HGAB COc1cc(CN(C(=O)c2ccc(-n3cnnn3)cc2)C2CC2)ccc1OC(F)F 32772471 WDTYXWGAAXEBPT-UHFFFAOYSA-N 415.400 3.077 0 40 HGAB Cc1sc2nc(SCC(=O)c3ccc4c(c3)NC(=O)CO4)nc(N)c2c1C 35312430 LVSCZBGBWSHZBD-UHFFFAOYSA-N 400.485 3.196 0 40 HGAB COc1ccc(CCNC(=O)CC[C@H]2N=C(O)N([C@@H](C)c3ccccc3)C2=O)cc1 36589986 ZODZSWWMELADRT-OXJNMPFZSA-N 409.486 3.020 0 40 HGAB biogenic Cc1cc(C(=O)N[C@@H](C)Cn2ccc(C)n2)c2c(C)nn(Cc3ccccc3)c2n1 36616886 YNSHOSDEOSJMTI-KRWDZBQOSA-N 402.502 3.420 0 40 HGAB Cc1nn(CC(F)F)c(C)c1NC(=O)c1cc(-c2cnn(C)c2)nc2onc(C)c12 36619501 PYZOTFGUOOIFQG-UHFFFAOYSA-N 415.404 3.262 0 40 HGAB O=C1C[C@H](c2cc(Br)ccc2OCc2ccccc2F)N2N=CNC2=N1 38208010 JERHTQZDKBPMTG-OAHLLOKOSA-N 417.238 3.343 0 40 HGAB C[C@H]1C[C@@H](C)CN(CCCNC(=O)CCNC(=O)c2ccc(Br)cc2)C1 40118842 UWQBFPCCFVXFSN-IYBDPMFKSA-N 424.383 3.053 0 40 HGAB COc1ccc(Cc2cnc(NC(=O)C3CCN(C(=O)N(C)C)CC3)s2)cc1 40132660 QTEQDMYAKXVDES-UHFFFAOYSA-N 402.520 3.075 0 40 HGAB Cc1nn(-c2ccc3nnc(C)n3n2)c2c1[C@@H](c1ccc(F)c(F)c1F)CC(O)=N2 40283213 DMDFOPGSZCRDPH-LLVKDONJSA-N 413.363 3.468 0 40 HGAB CN(C)S(=O)(=O)c1ccc(CNC(=O)Nc2cccc(C(F)(F)F)c2)cc1 47698765 PJQZWXXKNYVIBY-UHFFFAOYSA-N 401.410 3.277 0 40 HGAB COc1cccc(-c2noc(CN3Cc4ccccc4C[C@H]3C(=O)N3CCCC3)n2)c1 48280256 IHAYLGMMVJPARX-NRFANRHFSA-N 418.497 3.295 0 40 HGAB O=C(NCCc1csc2nc(-c3cccs3)nn12)c1cnn(-c2ccccc2)n1 49505044 LWDSSBDXTAVBLS-UHFFFAOYSA-N 421.511 3.073 0 40 HGAB CCN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)OCC(C)C)cn3C2CC2)CC1 51364267 BFOGNLWVUWSYJE-UHFFFAOYSA-N 415.509 3.430 0 40 HGAB CN1CCC[C@@H](NC(=O)NCc2ccccc2-c2ccc(CN3CCCC3=O)cc2)C1 58268287 ZWUITWIVFYVLLD-JOCHJYFZSA-N 420.557 3.369 0 40 HGAB Cc1cc(C)cc(OCCNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)c1 60011982 ZMESTSZAKNEWMW-UHFFFAOYSA-N 416.543 3.287 0 40 HGAB O=C(Cc1ccc(-n2cnnn2)cc1)Nc1ccccc1-c1nc(-c2ccccc2)n[nH]1 65156767 VQRWICUDYBTGDS-UHFFFAOYSA-N 422.452 3.296 0 40 HGAB COc1cc(C)c2[nH]c3c(c(=O)c2c1)CN(CC(=O)Nc1ccc(C)cc1C)CC3 67349900 SOTQAFQASJPGRU-UHFFFAOYSA-N 405.498 3.459 0 40 HGAB COc1ccc(OC)c(NC(=O)Cn2nnc(C(=O)Nc3c(C)cccc3C)c2C)c1 71327433 YWBRQVLFRGIDCD-UHFFFAOYSA-N 423.473 3.112 0 40 HGAB Cc1nnc(Nc2cccc(C3CCN(CC(=O)N4CCC(C)CC4)CC3)n2)s1 72376138 MVXABIXBJIAYQE-UHFFFAOYSA-N 414.579 3.423 0 40 HGAB O=C(NC1CCCCC1)c1cccc(NC(=O)N2CCN(c3ccccn3)CC2)c1 72404862 JWBVEPWIINQPCA-UHFFFAOYSA-N 407.518 3.498 0 40 HGAB COC(=O)c1ccc(OC(C)C)c(NC(=O)NCCn2c(C(C)C)n[nH]c2=S)c1 79015193 CNHLNURGOXTFSZ-UHFFFAOYSA-N 421.523 3.460 0 40 HGAB COc1ccc2cc(C(=O)N3Cc4c(OC)ccc(OC)c4[C@H](O)C3)c(C)nc2c1 84028612 QFMZECXBXQTKHX-LJQANCHMSA-N 408.454 3.258 0 40 HGAB Cc1ccccc1[C@H](O)CNC(=O)C(=O)Nc1ccnn1Cc1ccc(C(C)C)cc1 89689176 GXHHQUFBJUYRKR-OAQYLSRUSA-N 420.513 3.152 0 40 HGAB COc1ccc(-c2cc(C(=O)Nc3n[nH]c(CCc4ccccc4)n3)n[nH]2)cc1OC 95477046 PDRCVAPCQUMACA-UHFFFAOYSA-N 418.457 3.250 0 40 HGAB CC(=O)N1CCc2ccccc2[C@@H]1c1c(O)[nH]c(=S)n(-c2cccc(F)c2)c1=O 100929982 CDJWEOOZUFNFIS-GOSISDBHSA-N 411.458 3.234 0 40 HGAB O=C(O)c1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3ON2c2ccccc2)cc1 102762383 WDMCEWNAISSDKL-HBMCJLEFSA-N 414.417 3.436 0 40 HGAB COc1ccccc1[C@H]1C=C(C(=O)O)Nc2c(C(=O)Nc3ccc(C)cc3)cnn21 102810739 CQJUQJDLCXTMIY-GOSISDBHSA-N 404.426 3.436 0 40 HGAB O=C(CN1C(=O)[C@H]2CCCC[C@H]2C1=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 103026612 DZIILUYRVAYFNN-TXEJJXNPSA-N 405.426 3.202 0 40 HGAB O=C1C[C@@H](NC2CCN(Cc3ccccc3)CC2)C(=O)N1c1ccc2c(c1)CCC2 105969386 KPBPIEZHOVINQQ-HSZRJFAPSA-N 403.526 3.061 0 40 HGAB Cc1cc(S(=O)(=O)NCCSCc2ccccc2)ccc1N1CCCC1=O 216366924 IWYWOQFIGKZTFQ-UHFFFAOYSA-N 404.557 3.334 0 40 HGAB CCCCNc1ccc(C(=O)O)cc1S(=O)(=O)NCCc1ccc(OC)cc1 217484998 ARDVMXOFCHGSQN-UHFFFAOYSA-N 406.504 3.126 0 40 HGAB CC[C@H](NC(=O)CCCN(C)S(=O)(=O)c1ccccc1)c1ccc(OC)cc1 219725732 SNMBATUBRZIHCD-FQEVSTJZSA-N 404.532 3.363 0 40 HGAB Cc1ccc(CSCCNC(=O)c2ccc(C)c(N(C)S(C)(=O)=O)c2)cc1 222449419 QOKDAJYKRKDKOT-UHFFFAOYSA-N 406.573 3.362 0 40 HGAB COc1ccc(Cl)cc1N(CC(=O)NC(C)(C)CC(C)(C)C)S(C)(=O)=O 223670467 NCSJPZWRSDNXCN-UHFFFAOYSA-N 404.960 3.446 0 40 HGAB Cc1ccc(N(CCCC(=O)NCCOc2cccc(C)c2C)S(C)(=O)=O)cc1 223950065 KBQCCYGZLSNVJY-UHFFFAOYSA-N 418.559 3.353 0 40 HGAB COc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)NCc3ccco3)c2)cc1 224280296 RRLYQBPCGCKXGC-UHFFFAOYSA-N 400.456 3.043 0 40 HGAB CCC(C)(C)NC(=O)c1ccc(CN(C)S(=O)(=O)c2ccc(OC)cc2)cc1 224441281 UKQOYCPFBHPOPQ-UHFFFAOYSA-N 404.532 3.434 0 40 HGAB O=C(N[C@H](CO)Cc1ccccc1)[C@@H](c1ccccc1)N1Cc2ccccc2C1=O 225420327 MEVTZQKHWKPRLG-JTHBVZDNSA-N 400.478 3.104 0 40 HGAB biogenic Cc1ccc(N(CC(=O)Nc2nnc(SC(C)C)s2)S(C)(=O)=O)cc1C 225763010 LADDHFDVOZXYTG-UHFFFAOYSA-N 414.578 3.060 0 40 HGAB O=C(/C=C/c1ccc(Br)cc1)NCCn1cnc2ccsc2c1=O 253475314 RFSBKIKOVHPMLC-ZZXKWVIFSA-N 404.289 3.050 0 40 HGAB COc1ccccc1[C@@H](C)NC(=O)[C@H](C)N(c1cc(C)cc(C)c1)S(C)(=O)=O 260798349 SEOPKDSAANCWBU-SJORKVTESA-N 404.532 3.344 0 40 HGAB Cn1cccc1C(=O)N1CCN(c2cnn3ccc(-c4ccc(F)cc4)cc23)CC1 306140348 UQWYNPPDJVQSJW-UHFFFAOYSA-N 403.461 3.441 0 40 HGAB NC(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc(-c2ccccc2)cc1 409000143 DVUSYAGUPUSPSD-OAQYLSRUSA-N 417.465 3.463 0 40 HGAB COc1ccc([C@H]2[C@H](NC(=O)c3cccc(C)c3)C(=O)N/[N+]2=C\c2ccccc2)cc1 409055337 DVIADEMLQWEBPA-LIFFMEMSSA-O 414.485 3.020 0 40 HGAB O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCC[C@@H](Oc2ccncc2)C1 575613091 OQNVMQFZTYELNS-OAHLLOKOSA-N 402.394 3.212 0 40 HGAB O=C(NC[C@H]1COc2ccccc2O1)N1CCCC2=C[C@@H]3C[C@H](CN4CCCC[C@@H]34)[C@H]21 1083103356 BFELMUXVWRRXHS-RUFWAXPRSA-N 423.557 3.431 0 40 HGAB CC1=CCC[C@H]1NC(=O)Nc1ccc(Cl)c(S(=O)(=O)[C@@]2(C)CCOC2)c1O 1772575041 DNXKACKCTLURQN-ACJLOTCBSA-N 414.911 3.229 0 40 HGAB COc1ccc(S(=O)(=O)NC[C@@H]2[C@@H](C)C[C@@H]3[C@H]2CC(=O)N3C2CCCCC2)cc1 1775964474 ZNQRAYPIMVUFBR-JWOSDPRPSA-N 420.575 3.179 0 40 HGAB biogenic,in-vitro COc1ccccc1NC(=S)N(CCO)Cc1cc2ccc(C)c(C)c2[nH]c1=O 931874 YWDXHXHQZCSMKH-UHFFFAOYSA-N 411.527 3.345 0 40 HGAB Cc1cccc(NC(=O)CSCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1 1290513 UXFCQNZPIMHSKR-UHFFFAOYSA-N 424.526 3.103 0 40 HGAB C/C(NCc1ccc(F)cc1)=C1/C(=O)NC(=O)N(c2ccc(C(F)(F)F)cc2)C1=O 1407370 QDIOXKBZRSGMMW-LFIBNONCSA-N 421.350 3.491 0 40 HGAB CCOC(=O)c1c(N)n(-c2cc(OC)c(OC)c(OC)c2)c2nc3ccccc3nc12 2275934 NJUOINOTBSZGDD-UHFFFAOYSA-N 422.441 3.358 0 40 HGAB CSCC[C@H](N)c1nnc(SCC(=O)Nc2ccc(Br)cc2)o1 2431779 QJADSPUJGCFJAD-NSHDSACASA-N 417.354 3.316 0 40 HGAB O=C(COC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1)c1ccccc1 3296277 SUOXBGCESNKQPT-UHFFFAOYSA-N 409.463 3.205 0 40 HGAB Cc1ccccc1NC(=O)CN1C(=O)N[C@@](C)(c2cccc(Br)c2)C1=O 3348053 NKUYZFQQKJXSCX-IBGZPJMESA-N 416.275 3.163 0 40 HGAB COc1cc(Cl)c(C)cc1-n1c(S[C@@H](C)C(N)=O)nc2ccccc2c1=O 3489960 UWFYYMUAWIZGBE-NSHDSACASA-N 403.891 3.322 0 40 HGAB Cn1c(SCC(=O)Nc2ccc(Br)cc2)nc2ccccc2c1=O 3507183 YAKGGQLQKPWUQN-UHFFFAOYSA-N 404.289 3.427 0 40 HGAB CCOc1ccc(C(=O)Nc2c3c(nn2-c2ccc(C)cc2)CS(=O)(=O)C3)cc1 4088647 VETIVVQUQPVFOE-UHFFFAOYSA-N 411.483 3.260 0 40 HGAB COc1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@H]2c2ccc(OC)c(OC)c2)cc1 4705330 IZOPJQBGDUMXHQ-FQEVSTJZSA-N 421.457 3.232 0 40 HGAB O=C(C[C@H]1C(=O)N(c2ccccc2)C(=O)N1Cc1cccnc1)Nc1ccccc1 4738698 IIDRPBTZFNIVTF-FQEVSTJZSA-N 400.438 3.448 0 40 HGAB C[C@H]1CCCN(C(=O)C(=O)Nc2c3c(nn2-c2ccc(Cl)cc2)CSC3)C1 4941778 NUHOIFXPOOKQHR-LBPRGKRZSA-N 404.923 3.470 0 40 HGAB CCS(=O)(=O)c1cccc(C(=O)Nc2nc3cc4c(cc3s2)OCCO4)c1 5241462 JVWJKHKHKPRFHO-UHFFFAOYSA-N 404.469 3.113 0 40 HGAB C[C@]1(c2ccc3c(c2)OCO3)NC(=O)N(Cc2ccc(Br)cc2)C1=O 5450121 GJACKGHBJYUNME-GOSISDBHSA-N 403.232 3.145 0 40 HGAB CCOC(=O)c1[nH]c2ccc(OC)cc2c1NS(=O)(=O)c1cc(C)ccc1OC 5683998 LTFIUGIJAVDILY-UHFFFAOYSA-N 418.471 3.471 0 40 HGAB Cc1ccccc1-c1nnc(SCC(=O)Nc2ccccc2C(=O)NC2CC2)n1C 5861767 RUQQDFJCXQAIDQ-UHFFFAOYSA-N 421.526 3.414 0 40 HGAB O=C(OCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1)c1cnccn1 6486523 VPGANEOQGXKNOF-QGZVFWFLSA-N 410.817 3.258 0 40 HGAB CCc1cc2c(SCC(=O)NC[C@H]3COc4ccccc4O3)ncnc2s1 7019004 JQVAGLPHMVWVSQ-LBPRGKRZSA-N 401.513 3.302 0 40 HGAB C[C@H](C(=O)Nc1ccc(Br)cc1)N(C)CC(=O)Nc1cccc(F)c1 7267275 BVLSHSSQQCUNIU-GFCCVEGCSA-N 408.271 3.486 0 40 HGAB CCOc1cc(CNCCCSc2nnnn2C)ccc1OCc1ccccc1 7541484 IMLYGUTWQLFCAT-UHFFFAOYSA-N 413.547 3.460 0 40 HGAB CCCNS(=O)(=O)c1ccc(OCC(=O)Nc2cc(C)ccc2OC)c(C)c1 7604563 YFSMKOVATNZDIO-UHFFFAOYSA-N 406.504 3.018 0 40 HGAB O=C(O)[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)cc1 7615688 IKAOYKBYSTULCQ-MHORFTMASA-N 416.474 3.346 0 40 HGAB O=C(/C=C/c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1)N1CCOCC1 7990844 MCZNJTXRENJERN-JXMROGBWSA-N 406.891 3.013 0 40 HGAB Cc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3cccc(Cl)c3)CC2=O)c(C)c1 8039177 DIFGYWFLPKHKAU-OAHLLOKOSA-N 400.862 3.492 0 40 HGAB C=CCOc1ccc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3CC)C2=O)cc1 8088220 UIJDHZBFMWMELY-XSFVSMFZSA-N 405.454 3.345 0 40 HGAB O=C1O[C@H]2[C@H](O)C[C@@H]1[C@@H]1[C@H]2N(CC2CCCCC2)C(=S)N1c1ccc(Cl)cc1 8253722 QCOHLQVQWWLHNR-NNIGNNQHSA-N 420.962 3.371 0 40 HGAB biogenic,in-vitro O=C(CN1CCC(n2c(=O)[nH]c3ccccc32)CC1)N[C@H]1CCCc2ccccc21 8918773 FPUYVTOEUXDCFD-FQEVSTJZSA-N 404.514 3.160 0 40 HGAB C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)Nc3cccc(Cl)c3)c2)C[C@@H](C)O1 8983281 GDCGSSFGVFHRRM-ZIAGYGMSSA-N 408.907 3.390 0 40 HGAB COc1ccccc1-c1noc(CN2C(=O)N[C@@](C)(c3ccc4c(c3)CCC4)C2=O)n1 9608980 CFFYHIIPWOVYJL-QHCPKHFHSA-N 418.453 3.201 0 40 HGAB O=C(Nc1ccc(F)c(Cl)c1)[C@@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1 9723611 ULZBHCDZPVWLLT-GFCCVEGCSA-N 421.881 3.279 0 40 HGAB COc1ccc(OC)c(C2=NO[C@H](C(=O)Nc3cc(Br)ccc3O)C2)c1 9856699 OBHJXFZIPRCFAJ-KRWDZBQOSA-N 421.247 3.304 0 40 HGAB C[C@@H](OC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1cccc(F)c1)C(N)=O 11517917 MJCSXORKRVTNRG-CQSZACIVSA-N 418.428 3.316 0 40 HGAB O=C(NCc1ccc(N2CCOCC2)nc1)c1ccccc1SC[C@@H]1CCCO1 12225028 OTBPSZNWJIQFPV-SFHVURJKSA-N 413.543 3.119 0 40 HGAB COc1ccc([C@H](CC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)NC(C)=O)cc1 12855534 DMTCZRGOGSLQDL-QFIPXVFZSA-N 423.513 3.140 0 40 HGAB COc1ccc(COC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 12971863 HOVRFVORIACHKV-UHFFFAOYSA-N 403.500 3.148 0 40 HGAB Cc1cc(Br)ccc1NC(=O)CNC(=O)CN1c2ccccc2C[C@@H]1C 13039830 XLNZEHVOAOKYMH-AWEZNQCLSA-N 416.319 3.263 0 40 HGAB COc1ccc([C@H]2NC(=S)N[C@](O)(C(F)(F)F)[C@@H]2C(=O)c2cccs2)cc1 13545813 GSFXSFLLWNKGBG-WOSRLPQWSA-N 416.446 3.026 0 40 HGAB CCOC(=O)c1c(NC(=O)CSc2nnc(-c3ccccn3)[nH]2)sc(C)c1C 14162125 XYDKPZWCISIHJC-UHFFFAOYSA-N 417.516 3.453 0 40 HGAB Cc1nn(-c2ccccc2)c(C)c1CN(C)S(=O)(=O)c1cccc2nsnc12 19079521 FIJHWIWUHRZNDY-UHFFFAOYSA-N 413.528 3.315 0 40 HGAB Cc1ccc(C2(CNC(=O)c3ccc(N4C(=O)CCC4=O)cc3)CCOCC2)cc1 19208735 NJNRBTIVYAYPOO-UHFFFAOYSA-N 406.482 3.127 0 40 HGAB Cc1ccc2c(c1)C(=O)CC1(CCN(C(=O)C[C@@H]3NC(=O)c4ccccc43)CC1)O2 19218163 JUQVQKFXDZVNQT-IBGZPJMESA-N 404.466 3.196 0 40 HGAB O=C(c1cnccn1)N1CCCC[C@H]1c1nc(O)c2c(n1)CN(C1CCCCC1)CC2 19403702 ATKQOGBBJPNXJG-FQEVSTJZSA-N 422.533 3.030 0 40 HGAB Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc4c(c3)N(S(C)(=O)=O)CCC4)cc2)n1 19656085 PJEVPBFRFHWGPK-UHFFFAOYSA-N 424.526 3.454 0 40 HGAB COCCC(=O)N1CCC[C@@H](c2nc(C)c3c(n2)N(Cc2ccccc2)CCC3)C1 19706636 ULZQJNPBUFDFKP-HXUWFJFHSA-N 408.546 3.480 0 40 HGAB Cc1cnc2c(C(=O)N3CCC(CC(=O)N[C@H](C)c4ccccc4)CC3)cnn2c1 19748556 GHYRIOZWEJQRLJ-QGZVFWFLSA-N 405.502 3.157 0 40 HGAB O=C(C[C@@H]1C(=O)N(Cc2ccco2)c2nc3ccccc3n21)NCCc1ccccc1 19817639 PHNSGDRVXUTSMT-OAQYLSRUSA-N 414.465 3.466 0 40 HGAB COc1ccc([C@H](C)NC(=O)CN(C)S(=O)(=O)c2ccc3ccccc3c2)cc1 20013524 TXGJOUMDUSMWRI-INIZCTEOSA-N 412.511 3.346 0 40 HGAB CCCn1c(NC(=O)[C@H](NS(=O)(=O)c2cccs2)C(C)C)nc2ccccc21 22284827 WMHHODZCSFGHSQ-QGZVFWFLSA-N 420.560 3.449 0 40 HGAB COc1ccc(S(=O)(=O)N(C)Cc2ccccc2OC)cc1Br 22456978 FVFFSCAJPNKXTK-UHFFFAOYSA-N 400.294 3.287 0 40 HGAB O=C(NCCc1ccc(Cl)cc1)C1CCN(c2nc3ccccc3[nH]c2=O)CC1 22582785 XPVKFZGRKCGRLP-UHFFFAOYSA-N 410.905 3.152 0 40 HGAB CCCn1c(=O)[nH]c(=O)c2c(C(=O)N(Cc3ccccc3)C3CC3)cc(C(C)C)nc21 24472664 MOHKXRJBHIOYOS-UHFFFAOYSA-N 420.513 3.423 0 40 HGAB COc1ccc(-c2noc(CCC(=O)N3CCC[C@@H]3c3ccncc3)n2)cc1OC 25590488 WGLADOJBEYNRSC-QGZVFWFLSA-N 408.458 3.445 0 40 HGAB CCOc1ccc([C@@H](CNC(=O)c2ccc(CC)cc2)N2CCOCC2)cc1OC 25685700 CFAVMCQGDSDTIK-OAQYLSRUSA-N 412.530 3.460 0 40 HGAB Cc1cc(C(=O)N2CCN(Cc3c(F)cccc3Cl)CC2)c2c(C)nn(C)c2n1 28230278 VOBDNCYTBZRSJF-UHFFFAOYSA-N 415.900 3.336 0 40 HGAB COc1cccc(-c2nn(Cc3ccccc3)cc2C(=O)O[C@@H]2C[C@@H](C)OC2=O)c1 32736717 HFFRDRYAOCLSBT-FOIQADDNSA-N 406.438 3.468 0 40 HGAB COc1ccc(C(=O)N2CCCN(c3ccc(C(F)(F)F)cn3)CC2)cc1OC 32768986 HEGGEQAXYJKTDY-UHFFFAOYSA-N 409.408 3.470 0 40 HGAB Cc1ccc(NC(=O)[C@H]2CCCN(c3cnccn3)C2)cc1I 32777410 WNBSWPGLBJPRNE-ZDUSSCGKSA-N 422.270 3.245 0 40 HGAB CN(C)[C@@H](CNC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1)c1cccc(F)c1 32795271 LPUZKUBQUBNCIT-BEFAXECRSA-N 403.885 3.251 0 40 HGAB Cc1ccnc2nc(C(=O)NCc3cn(Cc4ccccc4)nc3-c3ccccc3)nn12 32893687 GGDYIQMGMZZPNG-UHFFFAOYSA-N 423.480 3.275 0 40 HGAB Cc1c(C)c(C)c(S(=O)(=O)Nc2cccc([C@]3(C)NC(=O)NC3=O)c2)c(C)c1C 32935277 KLJIOVRPTZWSIP-NRFANRHFSA-N 415.515 3.084 0 40 HGAB C[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1)c1ccccc1 34949555 JZVMZHOYRJCOEU-AVRDEDQJSA-N 408.523 3.454 0 40 HGAB O=C(Nc1ccc(I)cc1)c1cccc(CN2CCOCC2)c1 38771617 IMAMEQXQTPZDFF-UHFFFAOYSA-N 422.266 3.376 0 40 HGAB O=C(COC(=O)c1ccc(N2C(=O)CCC2=O)cc1)Nc1cccc(Cl)c1Cl 39477095 VMUHUNOBIHUGCL-UHFFFAOYSA-N 421.236 3.442 0 40 HGAB C[C@@H](NCC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1)c1ccc2c(c1)CCCC2 39738440 GCSGCLAYXMKOJF-VGOFRKELSA-N 418.603 3.174 0 40 HGAB CC(C)(C)NC(=O)CC1(C(=O)NC2CCN(C(=O)c3ccccc3)CC2)CCCC1 40069761 SFEXRXWDYTXBGV-UHFFFAOYSA-N 413.562 3.273 0 40 HGAB C[C@H]1C[C@@H]1c1ccc(CN(C)S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)o1 40091317 NBYVAOPCLJIXFV-JQWIXIFHSA-N 410.879 3.208 0 40 HGAB CCCCn1c(N)c(N(CCC(C)C)C(=O)C(F)(F)c2ccccc2)c(=O)[nH]c1=O 40114751 WGFYHBKJHSNRET-UHFFFAOYSA-N 422.476 3.090 0 40 HGAB CC(C)Cn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(F)cc2Cl)c1=O 40478631 XMPHNPQFHXSSIQ-UHFFFAOYSA-N 403.841 3.250 0 40 HGAB C[C@@H]1C[C@@H](C)CN(Cc2ccc(CNC(=O)Cn3ncc4ccccc4c3=O)cc2)C1 48310956 OTZSDLLVQPVJTA-RTBURBONSA-N 418.541 3.191 0 40 HGAB CCN1CCN(Cc2ccc(CNC(=O)[C@H]3Cc4cc(Cl)ccc4O3)cc2)CC1 48332089 HSMPASCZKJJMEE-JOCHJYFZSA-N 413.949 3.097 0 40 HGAB COc1ccccc1N1CCN([C@@H](c2nnnn2Cc2ccc(F)cc2)C(C)C)CC1 57670850 JZZOAPVWUDDYMS-JOCHJYFZSA-N 424.524 3.388 0 40 HGAB CC1CCC(C)(NC(=O)CS(=O)(=O)Cc2cccc(Br)c2)CC1 60338017 ZIINAWCDBOKPQI-UHFFFAOYSA-N 402.354 3.449 0 40 HGAB CCOc1ccc(-n2ccn(CC(=O)Nc3cccc(C(C)C)c3)c(=O)c2=O)cc1 67256142 LFKWBTCSCPYIPF-UHFFFAOYSA-N 407.470 3.160 0 40 HGAB CN(C(=O)[C@H]1CSCN1S(=O)(=O)c1ccc(C2CCCCC2)cc1)C1CC1 72054888 BVJAPVBQPLJFKY-LJQANCHMSA-N 408.589 3.419 0 40 HGAB C[C@@H](NC(=O)CCC[S@@](=O)c1ccc(Br)cc1)C(C)(C)CN(C)C 72297867 ZVSYDZKYKYZOBF-SHACYNPGSA-N 417.413 3.429 0 40 HGAB CCCCN(CC)Cc1cccc(CNC(=O)CN2C(=O)COc3ccccc32)c1 79073967 WDCLZSZIWJOWGD-UHFFFAOYSA-N 409.530 3.350 0 40 HGAB COc1ccc(CCc2nc(NC(=O)Cc3cn(C)c4ccccc34)n[nH]2)cc1OC 79481739 NCFRJKPOWQLWON-UHFFFAOYSA-N 419.485 3.280 0 40 HGAB Cc1nc2ccc(F)cc2c(=O)n1CC(=O)NCc1nc2ccccc2n1C(C)C 95479741 LASGLDZBFUKAFW-UHFFFAOYSA-N 407.449 3.091 0 40 HGAB COc1cccc(CN2C[C@@H]3C[C@H]2C(=O)N(Cc2cccnc2)c2ccccc2O3)n1 96111838 CDKDEBKCYHBVOF-FPOVZHCZSA-N 416.481 3.054 0 40 HGAB biogenic,in-vitro COC(=O)C[C@@H](c1ccc2ncccc2c1)c1c(O)nc2ccc(Cl)cn2c1=O 96117785 DKYMXKWLLZRUCP-HNNXBMFYSA-N 409.829 3.297 0 40 HGAB COC(=O)C[C@@H](c1c(O)n[nH]c1Cc1ccc(OC)cc1)c1cccc2nccnc12 96117851 HQERUPJQZXKWFE-QGZVFWFLSA-N 418.453 3.353 0 40 HGAB O=C(c1ccccc1)N1CC[C@@H]2CN(Cc3cccc(Cl)c3)S(=O)(=O)[C@@H]2CC1 96145419 DGIBEPWVZVIVEP-UYAOXDASSA-N 418.946 3.406 0 40 HGAB CN(CC(=O)NC1CC1)C(=O)c1cccnc1Oc1ccc(F)cc1Br 97405741 ITDILNLRQAXXNK-UHFFFAOYSA-N 422.254 3.126 0 40 HGAB Cc1ccc(N2C(=O)C[C@@H](c3c(C)nn(-c4nc5ccccc5o4)c3O)C2=O)cc1 101983792 AGTGCANQARZQDR-HNNXBMFYSA-N 402.410 3.383 0 40 HGAB O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Nc1cc2c(cc1Cl)OCCCO2 102426805 IQTQIZHYDQAISE-CHWSQXEVSA-N 406.866 3.005 0 40 HGAB COC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(Cl)cc1 113893888 OUYHIWVWBFCWEQ-UHFFFAOYSA-N 404.271 3.370 0 40 HGAB COC(=O)c1ccccc1NC(=O)[C@H](C)N(c1ccc(C)c(Cl)c1)S(C)(=O)=O 220354287 YKLKTIFEMCYJEG-ZDUSSCGKSA-N 424.906 3.228 0 40 HGAB CC[C@@H](C(=O)NCCSCc1ccco1)N(c1ccccc1F)S(C)(=O)=O 220592740 COESUYCEEBSDGJ-INIZCTEOSA-N 414.524 3.013 0 40 HGAB CNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CCCOc1ccc(OC)cc1 222617988 IUGUJWQQBNXZTP-MRXNPFEDSA-N 402.466 3.157 0 40 HGAB Cc1cccc(N(CCCC(=O)NCCN(C)c2ccccc2)S(C)(=O)=O)c1C 222636474 XKSWLSGIANNAAF-UHFFFAOYSA-N 417.575 3.102 0 40 HGAB COc1ccc(C(=O)NCc2cccc(C)c2)cc1S(=O)(=O)NCc1ccccc1 222907033 UAPIMBMBZRYWMK-UHFFFAOYSA-N 424.522 3.412 0 40 HGAB COCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)Cc1ccc(Cl)cc1 222995992 NACHVBFLOQGMSO-INIZCTEOSA-N 418.921 3.071 0 40 HGAB CCc1ccc(NC(=O)c2cnc(CN(C)S(=O)(=O)c3ccc(C)cc3)nc2)cc1 223382216 YGBPLJCPXQUBGW-UHFFFAOYSA-N 424.526 3.420 0 40 HGAB CC[C@H](NS(=O)(=O)c1c(C)cc(OC)cc1C)c1ccc(S(C)(=O)=O)cc1 223534466 NFRJFEPVQLUEIR-SFHVURJKSA-N 411.545 3.145 0 40 HGAB C[C@@H](C(=O)NCCOc1ccc(C(C)(C)C)cc1)N(c1ccccc1)S(C)(=O)=O 223705947 MGCZLQIHSIEVEE-KRWDZBQOSA-N 418.559 3.334 0 40 HGAB CCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(F)cc1 224591580 DYOVDGRHMWGXIK-HXUWFJFHSA-N 402.466 3.157 0 40 HGAB CS(=O)(=O)Nc1ccc([C@H]2CC(=O)c3cc4c(cc3-n3cccc32)OCCO4)cc1 225382408 IHDZSLHTZMFSEE-MRXNPFEDSA-N 424.478 3.338 0 40 HGAB CCOc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 225478256 HJJSCEMXCMVDGJ-UHFFFAOYSA-N 416.543 3.111 0 40 HGAB COc1cc([C@@H]2[C@H](C(=O)Nc3ccc(Cl)cc3)[C@H](C)Nc3ncnn32)ccc1O 247926687 AXBUNIMTJDZABI-UZCIPKQKSA-N 413.865 3.304 0 40 HGAB COc1ccc(N([C@H](C)C(=O)N[C@H](C)c2ccc3c(c2)CCC3)S(C)(=O)=O)cc1 260924571 IPDPUGSZZHABCA-HZPDHXFCSA-N 416.543 3.216 0 40 HGAB COc1cccc(-c2ccc3nc([C@@H]4CCCN(C(=O)c5cnn(C)c5)C4)nn3c2)c1 306123743 AVKVMUKTTPJKTQ-GOSISDBHSA-N 416.485 3.158 0 40 HGAB Cc1ccc(C(=O)N2C[C@@H](c3ccnn3C(C)C)[C@@]3(CCCN(C)C3=O)C2)s1 306139076 SOUZLFVEFZTNNT-HRAATJIYSA-N 400.548 3.312 0 40 HGAB COc1ccc(-c2cnc3n2C[C@@]2(CCN(C(=O)Cc4ccccc4)C2)OC3)cc1 306139370 SVMDUQWAJUMFMT-DEOSSOPVSA-N 403.482 3.303 0 40 HGAB CC(C)CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)Nc2ccc(F)cc2F)cc1 408603468 KEZWPSSQSKPEPD-CYBMUJFWSA-N 412.458 3.305 0 40 HGAB COc1ccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3cccc(C)c3)[C@@H]2c2ccccc2)cc1 409059434 NFZLFGAHROXXHS-LIFFMEMSSA-O 414.485 3.020 0 40 HGAB Cc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc4c(c3)OCCO4)C2=O)o1 409195330 HPXOVPHSCIWROE-CXUHLZMHSA-N 400.412 3.034 0 40 HGAB CCCC(=O)[C@H](CCc1ccccc1)N[C@H](C)C(=O)N1[C@H](C(=O)O)C[C@@H]2CCC[C@H]21 504304255 UJRWOTKNFKYDQM-RQSWOZRGSA-N 414.546 3.189 0 40 HGAB Cc1nn(CCNC(=O)c2ccc(N3C(=O)CCC3=O)cc2)c(C)c1-c1cccs1 575612377 DDAIMVRQIBEKST-UHFFFAOYSA-N 422.510 3.312 0 40 HGAB CN(C)[C@H](CNS(=O)(=O)c1ccc(-n2cccn2)cc1)c1cc2ccccc2o1 575620308 JJXLBQIZXMVOFB-LJQANCHMSA-N 410.499 3.200 0 40 HGAB Cc1cc(OC[C@]2(O)CCCN(C(=O)CN3CCC(C)CC3)C2)cc(C)c1Cl 585271571 HKBVUSPECSSKGS-QFIPXVFZSA-N 408.970 3.421 0 40 HGAB COC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)c2cc(OC)ccc2OC(F)(F)F)C1 1539715081 XNBMDIUAMNBHCX-CQSZACIVSA-N 415.286 3.161 0 40 HGAB O=C(NC[C@H]1CCCO1)N1CCC(c2ccc3cc(-c4cncnc4)cnc3n2)CC1 1888926481 ANOZPIDTGKAXPN-HXUWFJFHSA-N 418.501 3.155 0 40 HGAB CCc1[nH]nc(C(=O)N2CCC[C@@H]3NC(=O)c4ccccc4OCCC=CC[C@@H]32)c1C 2037818706 PZAXEGYDKCKNAZ-PMACEKPBSA-N 422.529 3.413 0 40 HGAB Cc1cc(OC[C@@]2(O)CCCN(C(=O)c3cccnc3O)CC2)cc(C)c1Cl 2037912715 WQMCSBDWGKNQGM-OAQYLSRUSA-N 404.894 3.494 0 40 HGAB O=C(NC(=S)N1CCc2ccccc21)c1ccccc1I 675602 CZBQGUNHJGKKPX-UHFFFAOYSA-N 408.264 3.369 0 40 HGAB CC(C)C(=O)NC(=S)Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)cc1 1264254 MTEJSTULXQVUHC-UHFFFAOYSA-N 416.572 3.180 0 40 HGAB O=C(COC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)Nc1cccc(C(F)(F)F)c1 1985857 VUGGXMJWFJQLRT-HNNXBMFYSA-N 420.387 3.236 0 40 HGAB COCCCNC(=O)Cn1cc(C(=O)C(F)(F)F)c2cc(Br)ccc21 2478157 HCDHTGFAQXSQOM-UHFFFAOYSA-N 421.213 3.302 0 40 HGAB O=C(COC(=O)C1=COCCO1)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1 2658244 GLTCDRNFAUULIT-UHFFFAOYSA-N 415.254 3.487 0 40 HGAB COc1ccc(C(=O)Nc2ccccc2C(=O)N[C@H](C(=O)NC(C)C)C(C)C)cc1 3190317 JKQLGNAESJMRBY-FQEVSTJZSA-N 411.502 3.227 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cc(C)ccc3C)CC2)cc1 3555473 DEZMOMZEHNYUIX-UHFFFAOYSA-N 402.516 3.351 0 40 HGAB O=C(CCC(=O)N(CC(=O)NC1CCCCC1)Cc1ccccc1)Nc1ccccn1 4848190 GVMQUCGRMXYKRT-UHFFFAOYSA-N 422.529 3.278 0 40 HGAB COc1ccc(Cc2nnc(SCC(=O)Nc3c(C)cccc3C)[nH]c2=O)cc1 5154689 ZWQFHPZMBGMSPF-UHFFFAOYSA-N 410.499 3.112 0 40 HGAB Cc1noc(C)c1S(=O)(=O)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2 6553595 UGNGPLXVJRZLPY-UHFFFAOYSA-N 415.427 3.073 0 40 HGAB COc1ccc(-n2nnnc2S[C@@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)cc1 6651362 GMOUQHIHICXNIF-NSHDSACASA-N 414.516 3.439 0 40 HGAB Cc1c(Cc2ccccc2)c(=O)oc2c(C)c(OCC(=O)NCCCN(C)C)ccc12 6660344 AEEVPRNQZCRBCD-UHFFFAOYSA-N 422.525 3.447 0 40 HGAB O=C(CSc1ccccc1C(=O)N1CCN(c2ccccc2)CC1)N1CCCC1 6831515 GVLPEZVUBGQSEH-UHFFFAOYSA-N 409.555 3.364 0 40 HGAB NC(=O)c1c(NC(=O)c2ccc(I)cc2)sc2c1CCC2 6883063 KXYVJTOTOWLBTB-UHFFFAOYSA-N 412.252 3.193 0 40 HGAB CS(=O)(=O)c1ccc(C(=O)O[C@@H](C(=O)N2CCCCC2)c2ccccc2)cc1 7187045 HIZVOSXDXNLHID-LJQANCHMSA-N 401.484 3.001 0 40 HGAB COc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C)c2cccs2)cc1 7987705 UMXNUKDQQZKBSL-PBHICJAKSA-N 410.561 3.327 0 40 HGAB COCc1nc(OC)c2c(C)c(C(=O)NCCc3ccc(OC)cc3)sc2n1 7991064 VHTDBWXGXSZEOA-UHFFFAOYSA-N 401.488 3.136 0 40 HGAB COc1cc(Br)c(CCNC(=O)COc2cccc(F)c2)cc1OC 8117134 XNYOTBHKCSLDHD-UHFFFAOYSA-N 412.255 3.343 0 40 HGAB CN(C)C(=O)[C@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(-c2ccc(-c3ccccc3)cc2)nn1 8299143 RHEGSCLUDRJLLO-ZRBLBEILSA-N 415.541 3.411 0 40 HGAB biogenic,in-vitro O=C(Cn1nnc(-c2ccccc2)n1)N1CCC(c2nc3ccccc3s2)CC1 8327242 PAIYGQAZLFRKCN-UHFFFAOYSA-N 404.499 3.356 0 40 HGAB Cc1cccc(Oc2ccc(Cl)cc2NCC(=O)N[C@@H]2CCS(=O)(=O)C2)c1 9052202 SWIUUQOBOIYLSX-OAHLLOKOSA-N 408.907 3.156 0 40 HGAB O=C(Cn1ncc(Cl)c(Cl)c1=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 9223141 MCQMYRGIJREFAI-CQSZACIVSA-N 424.284 3.075 0 40 HGAB O=C(OCN1C(=O)c2ccccc2C1=O)c1ccccc1CSC1=NCCS1 9556410 PBJLQMZJIKUGAX-UHFFFAOYSA-N 412.492 3.433 0 40 HGAB COc1ccc(CCNC(=O)Cn2c(-c3nnc(C)o3)cc3ccccc32)cc1OC 9573839 HEDFQRNQXGJEMZ-UHFFFAOYSA-N 420.469 3.376 0 40 HGAB Cc1ccc(S(=O)(=O)N2c3ccc(C(=O)NCc4ccccn4)cc3C[C@H]2C)cc1 10326528 AKUVKIHKPZKUEF-QGZVFWFLSA-N 421.522 3.460 0 40 HGAB Cc1cccc(N2C[C@H](C(=O)N3CCC(NC(=O)c4ccccc4)CC3)CC2=O)c1C 10776983 PNLZGHKRLGYZND-HXUWFJFHSA-N 419.525 3.077 0 40 HGAB Cc1nc(COc2ccc(C(=O)O[C@H](C)C(=O)N3c4ccccc4C[C@H]3C)cc2)no1 12072898 QMSXCWIZECRIKO-HUUCEWRRSA-N 421.453 3.480 0 40 HGAB c1ccc2c(c1)NC1(CCN(Cc3ccc(Sc4nc[nH]n4)o3)CC1)N1CCN=C21 12086113 RUDHMWYCYXCIOV-UHFFFAOYSA-N 421.530 3.029 0 40 HGAB Cc1nccn1C[C@H](C)C(=O)N1CCC[C@H](c2nc3ccc(F)cc3cc2C(N)=O)C1 12088397 CKFUGNLHVXYDSW-HOCLYGCPSA-N 423.492 3.020 0 40 HGAB Cc1cc(C)cc(O[C@@H](C)C(=O)N2CCC[C@H](c3noc(-c4cnccn4)n3)C2)c1 12187664 MTPNLZKJKWZFPS-IRXDYDNUSA-N 407.474 3.317 0 40 HGAB CC(C)(C)NC(=O)CN1C(=O)C(C)(C)Oc2ccc(C(=O)c3cccs3)cc21 12220926 PJPZIJJDFGNJGO-UHFFFAOYSA-N 400.500 3.398 0 40 HGAB COC(=O)c1cc(Br)ccc1S(=O)(=O)Nc1ccc(F)c(F)c1F 12881363 RSBZJHXJDJVVHC-UHFFFAOYSA-N 424.194 3.454 0 40 HGAB O=C(c1cc(F)ccc1Br)N1CCN(Cc2ccc3c(c2)OCO3)CC1 13003520 QNTAKLKDOIRQPW-UHFFFAOYSA-N 421.266 3.275 0 40 HGAB CN(CC(=O)Nc1ccccc1C(=O)O)C(=O)c1ccc2[nH]c3c(c2c1)CCCC3 13261643 XIICZCGAQWONPH-UHFFFAOYSA-N 405.454 3.456 0 40 HGAB O=C(Cc1cccs1)Nc1cc(-c2ccccc2)nn1[C@H]1CCS(=O)(=O)C1 13693189 BRDXCPDUAPVSIL-HNNXBMFYSA-N 401.513 3.152 0 40 HGAB C[C@@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(C[C@@H](O)COCc1ccccc1Cl)C2=O 14188179 QYDFZAAUKOPNDZ-IUSZMWJPSA-N 408.926 3.354 0 40 HGAB Cc1cc(OC[C@H](O)CN2CCN(c3ncccn3)CC2)c(C(C)C)cc1Cl 14200873 IWVFAOAZTMZXLR-QGZVFWFLSA-N 404.942 3.124 0 40 HGAB Cn1nnnc1-c1cccc(NC(=O)c2cccc(NC(=O)c3cccs3)c2)c1 14518267 FKJWFSUWLVEYHD-UHFFFAOYSA-N 404.455 3.443 0 40 HGAB COc1ccccc1N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 16089017 ZVKSTSUXDDQVMM-UHFFFAOYSA-N 400.422 3.225 0 40 HGAB COc1ccc(C)cc1NC(=O)COc1ccc(S(=O)(=O)NC2CCCC2)cc1 16291000 QNUCVHQQEPZNFC-UHFFFAOYSA-N 418.515 3.242 0 40 HGAB Cc1cccc(NC(=O)Cn2c(C)cc(C)c(S(=O)(=O)c3ccccc3)c2=O)c1 17135372 WVGCGKRSSDWQIK-UHFFFAOYSA-N 410.495 3.245 0 40 HGAB Cc1ccc(O[C@H](C)C(=O)N2CC[C@@H](c3cc(=O)[nH]c(-c4ccccn4)n3)C2)cc1C 19214106 UIHUCPJPUIRQBR-QZTJIDSGSA-N 418.497 3.232 0 40 HGAB CCCN1CCN(Cc2ncc[nH]2)C[C@H](Cc2ccccc2-c2ccncc2)C1=O 19503340 WXCQSQPRXWMRFS-NRFANRHFSA-N 403.530 3.385 0 40 HGAB COc1ccccc1C(=O)N1CCC(Nc2nc(-c3ccsc3)cc(=O)[nH]2)CC1 19568621 DCQBDAWIFYAGGQ-UHFFFAOYSA-N 410.499 3.224 0 40 HGAB CCCOc1ccc(-c2nc3s/c(=C/c4cc(OC)ccc4OC)c(=O)n3n2)cc1 19808174 HHFJKSYODFIQJS-CPNJWEJPSA-N 423.494 3.172 0 40 HGAB O=C(c1cccnc1)N1CCc2cc(NS(=O)(=O)CCc3ccccc3)ccc21 19819350 PPRNGRSTRQBISH-UHFFFAOYSA-N 407.495 3.269 0 40 HGAB Cc1cccc(NC(=O)Cn2c(=O)cc(C(=O)N3CCCC3)c3ccccc32)c1C 20417842 AMELKJOLOPMLEF-UHFFFAOYSA-N 403.482 3.493 0 40 HGAB CC(C)Oc1ccc(NC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cc1 20459504 QMIORRYWPJGRNU-SFHVURJKSA-N 424.906 3.293 0 40 HGAB CCS(=O)(=O)N(C)c1cc(OC)c(OC)cc1C(=O)Nc1ccccc1SC 22252984 BIUJYDITQIMOBQ-UHFFFAOYSA-N 424.544 3.464 0 40 HGAB COCc1nc(N2CCN(c3ccc(Cl)cc3)CC2)[nH]c(=O)c1Cc1ccccc1 22448614 STXAKECSKSJKMR-UHFFFAOYSA-N 424.932 3.487 0 40 HGAB O=C(CN1CCN(C(=O)c2ccccc2Oc2ccccc2)CC1)N1CCCCC1 22697495 QAVGIMLDOQHNJE-UHFFFAOYSA-N 407.514 3.249 0 40 HGAB O=C(Nc1ccc(OC(F)(F)F)cc1)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 23038192 PHYQYTHYOAQYNO-LBPRGKRZSA-N 422.359 3.348 0 40 HGAB O=C(NCCc1ccccc1F)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O 23149553 JBFALDFQXILRQC-UHFFFAOYSA-N 409.438 3.175 0 40 HGAB COCCCN1C(=O)[C@H](CC(=O)Nc2ccc(C(C)=O)cc2)n2c1nc1ccccc12 23411173 GCICOTBHNCCQHZ-FQEVSTJZSA-N 420.469 3.192 0 40 HGAB CCN1CCN(C(=O)[C@H](C)NC[C@H](c2ccccc2)c2c[nH]c3ccccc23)CC1 24177960 VAXIYHFGOSSRCP-SIKLNZKXSA-N 404.558 3.442 0 40 HGAB Cc1ccccc1CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 25154966 MUINFXOJDDLXKD-QGZVFWFLSA-N 406.935 3.366 0 40 HGAB CCNc1ccc(C(=O)OCC)cc1NS(=O)(=O)c1ccc2c(c1)OCCCO2 29433615 LADITAKSTFWWDQ-UHFFFAOYSA-N 420.487 3.257 0 40 HGAB Cc1ccc([C@H](CN2CCOCC2)NC(=O)Cc2ccc(Br)cc2)cc1 30536478 REFOIZQMMOQYIZ-FQEVSTJZSA-N 417.347 3.490 0 40 HGAB CSc1ccc(N2C[C@@H](C(=O)NC[C@@H](c3cccc(F)c3)N(C)C)CC2=O)cc1 32730851 ZVOWKENQCALEFI-JXFKEZNVSA-N 415.534 3.320 0 40 HGAB CC(=O)Nc1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(C)s2)cc1C 32753786 YDQYXEAAUMKTLW-KRWDZBQOSA-N 421.544 3.115 0 40 HGAB CCOC(=O)C1=C(COC(=O)c2cc3ccccc3[nH]2)NC(=O)N[C@H]1c1ccc(C)o1 32754859 BEHZFBQUWCKEPJ-IBGZPJMESA-N 423.425 3.097 0 40 HGAB CC(C)N(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc(NC(=O)C2CC2)s1 32879773 WAHONDKJMQPBIH-UHFFFAOYSA-N 410.499 3.384 0 40 HGAB Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)cc1 33026464 QCVJNNNHTCQCTC-QGZVFWFLSA-N 401.532 3.291 0 40 HGAB CC(C)COc1ccc(S(=O)(=O)NCCN2CCO[C@@H](c3ccccc3)C2)cc1 36700196 ATVFMWNPEYYRPV-JOCHJYFZSA-N 418.559 3.073 0 40 HGAB CS(=O)(=O)N1CC[C@@H](C(=O)NC2CCCCCC2)Oc2ccc(Cl)cc21 38852372 BEOQFRWIYFXJJA-KRWDZBQOSA-N 400.928 3.096 0 40 HGAB COC(=O)c1cc(NC(=O)c2cccc(Nc3ncccn3)c2)cc(C(=O)OC)c1 40069974 XDYKUANFSZLWRL-UHFFFAOYSA-N 406.398 3.046 0 40 HGAB O=C(NCCS(=O)(=O)N1CCc2ccccc21)c1cc(Cl)sc1Cl 41468897 HPVWGTRENSKFAM-UHFFFAOYSA-N 405.328 3.177 0 40 HGAB Cc1ccc(-c2csc3ncn(CCC(=O)NO[C@H]4CCCCO4)c(=O)c23)cc1 58135839 ISDLAEGDULWBFB-SFHVURJKSA-N 413.499 3.398 0 40 HGAB C[C@@H](CN1CCCC1=O)NC(=O)Nc1ccc(F)c(NC(=O)C2CCCCC2)c1 58309797 ZJGHFRMFARDLLQ-AWEZNQCLSA-N 404.486 3.477 0 40 HGAB Cc1cccc(Cl)c1NC(=O)Cn1c(-c2ccccc2)nc(C)c(CCO)c1=O 67300337 WHUBIAXPMBRATP-UHFFFAOYSA-N 411.889 3.354 0 40 HGAB COC(=O)CN(CCC(F)(F)F)C(=O)/C=C/c1ccc(OC(C)C)c(OC)c1 79056881 ZDADVEJFBJSDCG-SOFGYWHQSA-N 403.397 3.450 0 40 HGAB COc1ccc([C@@H]2[C@H](C(=O)NCCc3ccncc3)c3ccccc3C(=O)N2C)cc1 79491389 SQHJPCUOZRXHPP-DHIUTWEWSA-N 415.493 3.360 0 40 HGAB O=C(CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12)NCCNC(=O)c1ccn[nH]1 96003327 FEMUHFNIHTZWLR-UHFFFAOYSA-N 419.460 3.176 0 40 HGAB CO[C@H]1CC[C@H](C(=O)N2CCC[C@@H]2C(=O)c2cnn(-c3ccc(C)cc3)c2N)CC1 100745336 OIOGGBCIBMICTG-IMFGXOCKSA-N 410.518 3.142 0 40 HGAB O=C(/N=c1\c2ccccc2[nH]c(=O)n1Cc1cccnc1)Nc1c(F)cccc1F 101113948 MSDWKRFPMAEBFN-ZXVVBBHZSA-N 407.380 3.184 0 40 HGAB COc1cc([C@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3ON2c2ccccc2)ccc1O 102724578 RSIDXQXEVZMSGK-BHIFYINESA-N 416.433 3.452 0 40 HGAB C[C@H]1C[C@@H](C)CN(CCCNC(=O)c2cccc(I)c2)C1 107681315 SNZAIHDSIFDCCD-OKILXGFUSA-N 400.304 3.389 0 40 HGAB COc1ccc(N([C@@H](C)C(=O)Nc2cc(C)cc(C)c2)S(C)(=O)=O)cc1OC 220225210 YHAKNBXZTHFPHR-HNNXBMFYSA-N 406.504 3.114 0 40 HGAB COC(=O)c1ccc(Cl)c(NC(=O)c2ccc(C)c(N(C)S(C)(=O)=O)c2)c1 222455826 FKVKNAIVQDEXBT-UHFFFAOYSA-N 410.879 3.083 0 40 HGAB COc1ccc(N(CCCC(=O)Nc2cc(C)ccc2OC)S(C)(=O)=O)cc1 222600345 PVCWHOUWRRHTBY-UHFFFAOYSA-N 406.504 3.197 0 40 HGAB CNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)COc1ccc(Cl)c(C)c1 222813031 VDAKKRNFQALMLF-OAHLLOKOSA-N 404.894 3.199 0 40 HGAB CCN(Cc1nc(-c2cccs2)no1)S(=O)(=O)c1cc(OC)ccc1OC 223780459 YKHNKECFPXTRBQ-UHFFFAOYSA-N 409.489 3.026 0 40 HGAB CC(=O)c1cccc(N(CCCC(=O)NC[C@@H](C)c2ccccc2)S(C)(=O)=O)c1 224850721 ZMXOXJJZRBLUGL-QGZVFWFLSA-N 416.543 3.355 0 40 HGAB COc1cc(/C=C/C(N)=O)cc(I)c1OC(=O)c1ccccc1 226364557 RUMLHTFWEPLJBF-BQYQJAHWSA-N 423.206 3.018 0 40 HGAB O=C1[C@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C(=O)N1CN(C(=O)C(F)(F)F)c1ccccc1Cl 226400790 JVRDQUOEXUDOPB-RSUATGCGSA-N 424.806 3.246 0 40 HGAB O=C(c1cccc(OCc2ccccc2)c1)N1CC(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)C1 238830624 FVCUHZPAXKZRAQ-VXKWHMMOSA-N 416.477 3.041 0 40 HGAB Cc1nn(C(C)C)c(C)c1S(=O)(=O)N1CC[C@@H](Oc2ccc3ccccc3n2)C1 252538956 NLYDRICNNFSHSE-GOSISDBHSA-N 414.531 3.471 0 40 HGAB CCN(CC)C(=O)CN1CCO[C@@H](c2cccc(Nc3nc(C)c(C)s3)n2)C1 257213014 CFVQOOTYIJVNGB-QGZVFWFLSA-N 403.552 3.140 0 40 HGAB CC(=O)N[C@H]1CC[C@](CNC(=O)Cc2ccccc2C)(c2ccccc2)CC[C@@H]1O 257339535 ZCDDNNAARYCCBF-LSQMVHIFSA-N 408.542 3.031 0 40 HGAB CCOc1ccccc1N(CC(=O)N[C@H](C)c1ccc2c(c1)CCC2)S(C)(=O)=O 260930921 LFRHZGZVPZLDIW-MRXNPFEDSA-N 416.543 3.217 0 40 HGAB COCCn1cnc2c1C1(CCN(C(=O)c3csc(C)n3)CC1)Oc1ccccc1-2 306134449 NNTXLFTVXBEDEA-UHFFFAOYSA-N 424.526 3.485 0 40 HGAB CN1CCN(Cc2ccc(F)cc2)C[C@@H]1c1nnn2cc(-c3ccncc3)ccc12 306138819 SIFAORBNIMVCAO-JOCHJYFZSA-N 402.477 3.419 0 40 HGAB O=C(NC1CCCCCC1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1 408598228 YFCBRPCONNIAMU-OAQYLSRUSA-N 400.544 3.415 0 40 HGAB Cc1ccc(C)c(N2C[C@H](C(=O)OCC(=O)Nc3ccccc3Cl)CC2=O)c1 408653062 HOACGUQDOXSUFR-OAHLLOKOSA-N 400.862 3.492 0 40 HGAB O=C(CCc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)NC1CCCC1 409250217 WMGUGIPZGBXOMA-UHFFFAOYSA-N 400.544 3.199 0 40 HGAB Cc1ccc(NC(=O)CSc2nnc(CNC(=O)c3ccc(C)cc3)n2C)cc1 409348356 SHIGHXKAXBZTKX-UHFFFAOYSA-N 409.515 3.093 0 40 HGAB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NCC(C)C)c1ccc(C)cc1 409391072 ZSQJKSFSPQZPTL-UHFFFAOYSA-N 404.532 3.280 0 40 HGAB Cc1ncc(CO)c2cc(-c3nc(O)c4c5c(sc4n3)C[C@H](C)CC5)c(=O)oc12 1775968965 PRYPFJONCSNHBW-SECBINFHSA-N 409.467 3.491 0 40 HGAB O=C(NCCO)/C(=C\c1ccc(-c2ccc(Cl)cc2)o1)NC(=O)c1ccccc1 1901346 WYHMLGBKCIPZIB-XMHGGMMESA-N 410.857 3.479 0 40 HGAB CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)OCN1C(=O)c2ccccc2C1=O 2330909 AJWKIWTXRIHDPR-KXBFYZLASA-N 424.453 3.124 0 40 HGAB COc1ccccc1N(C[C@H](O)COc1ccccc1)S(=O)(=O)c1ccccc1 2483267 GLFLSKOPBIHZOT-SFHVURJKSA-N 413.495 3.330 0 40 HGAB CCc1ccc(NC(=O)[C@H](C)OC(=O)Cc2cc(OC)c(OC)c(OC)c2)cc1 3271118 YYHNQDTYLGFHFW-AWEZNQCLSA-N 401.459 3.388 0 40 HGAB COc1ccc([C@H](CNC(=O)c2ccc(S(C)(=O)=O)cc2)N2CCCCC2)cc1 3402569 PKUGVCOXMRCFBF-NRFANRHFSA-N 416.543 3.056 0 40 HGAB CCOC(=O)[C@@](NC(=O)CC)(Nc1nc2ccc(OCC)cc2s1)C(F)(F)F 3671228 YPZKJWAWJYZAGB-MRXNPFEDSA-N 419.425 3.455 0 40 HGAB CCCCn1c(O)c([C@H]2NCCc3c2[nH]c2ccc(OC)cc32)c(=O)[nH]c1=S 3985164 XFYHOAUDFPRDPW-QGZVFWFLSA-N 400.504 3.137 0 40 HGAB biogenic CCN(CC)C(=O)CSc1nnc([C@H](CCSC)NC(=O)OC(C)(C)C)o1 4296001 OFZVXBHQRSTPJD-LBPRGKRZSA-N 418.585 3.349 0 40 HGAB COc1ccc(C(=O)NC[C@H](c2ccco2)S(=O)(=O)c2ccc(F)cc2)cc1 4519174 MIGGVXZSODNREB-LJQANCHMSA-N 403.431 3.372 0 40 HGAB aggregator CC(C)CCNC(=O)CN(Cc1ccccc1)C(=O)CCC(=O)Nc1nccs1 4848400 ZJPRVFCWRJEOON-UHFFFAOYSA-N 416.547 3.053 0 40 HGAB CN(C1CCCC1)S(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1 5373401 IBROYXCNLSJLFD-UHFFFAOYSA-N 402.472 3.231 0 40 HGAB COc1ccc2ccccc2c1[S@@](=O)Nc1ccc(S(=O)(=O)N(C)C)cc1 5680272 RHWNPTLOAUJGNL-SANMLTNESA-N 404.513 3.233 0 40 HGAB CC1=CC(=O)C2=C(C)C[C@H](OC(=O)C(Cl)(Cl)Cl)[C@@H]3[C@H](C)C(=O)O[C@@H]3[C@H]12 6183868 XJZDWBGISVLGDS-QABOCENNSA-N 407.677 3.312 0 40 HGAB biogenic Cc1sc(C(=O)Nc2cc(Cl)ccc2O)cc1S(=O)(=O)N1CCCC1 6679695 LUTXQWARVPGECF-UHFFFAOYSA-N 400.909 3.452 0 40 HGAB COC(=O)c1ccc(OC)cc1OC(=O)/C=C/c1cc(OC)c(OC)c(OC)c1 6948810 WEOVZAKHMURIDN-RMKNXTFCSA-N 402.399 3.126 0 40 HGAB CC(C)CNC(=O)[C@H](C)Sc1ccc(S(=O)(=O)N(C)C2CCCCC2)cn1 7190216 XFHRQZZNXDLLDJ-HNNXBMFYSA-N 413.609 3.288 0 40 HGAB O=C(CN1CCC[C@@H](c2nc3ccccc3s2)C1)NC[C@@H]1COc2ccccc2O1 7554121 TYNVYXYIZKGDFU-IAGOWNOFSA-N 423.538 3.432 0 40 HGAB CCS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2nc3ccc(Cl)cc3s2)n1 8868072 MNXCVKYEBDZAEW-UHFFFAOYSA-N 417.299 3.439 0 40 HGAB CCc1ccccc1N1C[C@H](C(=O)O[C@@H](C)C(=O)N(C)C2CCCCC2)CC1=O 12095880 MYRVXSXDHQOSBW-FUHWJXTLSA-N 400.519 3.325 0 40 HGAB O=C1CCCN1CCNc1ncc(-c2ccc3c(c2)OCO3)c(-c2nccs2)n1 12186449 ONELTFSCILXCFI-UHFFFAOYSA-N 409.471 3.030 0 40 HGAB CCN(CC)c1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccccn1 12527351 XYQZBFAACFCDSV-UHFFFAOYSA-N 416.547 3.355 0 40 HGAB COc1cn(-c2ccccc2)nc1C(=O)N1CCCN(C)c2nc3ccccc3nc21 12759349 NKAZWEZQRAZLKF-UHFFFAOYSA-N 414.469 3.311 0 40 HGAB CS(=O)(=O)c1cc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)ccc1Cl 12812559 UGWNJQPMGSGXJD-MRXNPFEDSA-N 421.902 3.492 0 40 HGAB O=C(c1ccc(Br)o1)N1CCN(Cc2nc(-c3ccsc3)no2)CC1 12907921 KVDNOPGWTTYSEA-UHFFFAOYSA-N 423.292 3.112 0 40 HGAB C[C@H](Sc1ccccc1)C(=O)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C 12936467 OZSZFFWFLIZVQY-CVEARBPZSA-N 411.527 3.390 0 40 HGAB O=C(CCS(=O)(=O)c1ccc2c(c1)OCCO2)Nc1cccc2c1CCCC2 13009185 MESDBVQCEKFZDA-UHFFFAOYSA-N 401.484 3.139 0 40 HGAB CC(=O)c1ccc(NC(=O)Cn2cnc3c(oc4nc5c(cc43)CCCC5)c2=O)cc1 13207157 MLOCKAQTJOVJQO-UHFFFAOYSA-N 416.437 3.258 0 40 HGAB O=C1CC[C@@H](N2CCN(c3ccccc3F)CC2)CCN1CCOc1ccccc1 15008192 UHCZYFXLYJQYEK-HXUWFJFHSA-N 411.521 3.408 0 40 HGAB C[C@@H](c1nnc(SCC(=O)c2ccccc2)n1C)N1C(=O)COc2ccccc21 15019125 PUZLHIQXGZYJMF-AWEZNQCLSA-N 408.483 3.277 0 40 HGAB Cc1ccc(S(=O)(=O)Cc2noc([C@@H]3C[C@@H](O)CN3CC3CCCCC3)n2)cc1 15674539 KLBUACRFMPUXHF-MJGOQNOKSA-N 419.547 3.040 0 40 HGAB biogenic,in-vitro COc1ccc(S(=O)(=O)[C@H](CNC(=O)c2ccc(F)cc2)c2ccco2)cc1 15781135 GCDGLFVFOIOBDO-LJQANCHMSA-N 403.431 3.372 0 40 HGAB Cc1ccc(NC(=O)COC(=O)c2cc(=O)[nH]c3ccccc23)c(Br)c1 15879733 PMOPFXALOHHOMT-UHFFFAOYSA-N 415.243 3.395 0 40 HGAB O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccccc1)NCc1ccccc1 16479136 CDGVGVMLFKHEMY-UHFFFAOYSA-N 408.523 3.236 0 40 HGAB C[C@@H](CC(=O)NC1CCN(Cc2cc(-c3ccc(F)cc3)nn2C)CC1)n1cccn1 19455456 HWCARXAILVJCAH-KRWDZBQOSA-N 424.524 3.155 0 40 HGAB CCNC(=O)[C@@]1(Cc2ccc(-c3cccs3)cc2)CCCN(C(=O)COC)C1 19528524 WHMJXIBSHJXOTI-JOCHJYFZSA-N 400.544 3.349 0 40 HGAB COc1ccc(S(=O)(=O)CCNC(=O)c2c(C)c3cc(Cl)ccc3n2C)cc1 19659559 DTKGWGZVWIJXBW-UHFFFAOYSA-N 420.918 3.352 0 40 HGAB CCN(CC)c1ncc(CN2CCC[C@@H](c3ccc(C(=O)N(C)C)cn3)C2)s1 19705896 IIDQZJYVLNMLHS-QGZVFWFLSA-N 401.580 3.466 0 40 HGAB Cc1nc([C@H]2CCCN2C(=O)CN2CCCC2)ccc1C(=O)NCc1ccc(F)cc1 19709342 RTENBSYVXHYSOW-JOCHJYFZSA-N 424.520 3.218 0 40 HGAB O=C(CCCN1C(=O)NC2(CCCC2)C1=O)Nc1cc(F)ccc1N1CCCC1 19718342 XXEHQDCJHVRLHE-UHFFFAOYSA-N 402.470 3.009 0 40 HGAB Cc1c(-c2ccnc3cc(C(=O)N(C)Cc4ccc5c(c4)C[C@@H](C)O5)nn23)cnn1C 19719052 BWGOFWCIJRDSMK-CQSZACIVSA-N 416.485 3.034 0 40 HGAB CCOC(=O)[C@@H]1C(=O)N=C(N2CCc3ccccc3C2)N[C@H]1c1cccc(Cl)c1 20637010 XSFXNOYACYLDOM-OALUTQOASA-N 411.889 3.105 0 40 HGAB CCC[C@H](C)NC(=O)COc1ccc(N(Cc2ccccc2F)S(C)(=O)=O)cc1 22233744 UBQVYSQJARXFGQ-INIZCTEOSA-N 422.522 3.476 0 40 HGAB COc1cccc(N(CC(=O)Nc2ccc(OC3CCCC3)cc2)S(C)(=O)=O)c1 22332192 HIMWZCSCOZQIOK-UHFFFAOYSA-N 418.515 3.421 0 40 HGAB COc1ccc(CN2CCN(CC(=O)c3c(C)[nH]c4ccccc34)CC2)cc1OC 22785247 ZAQFNGVHQMPIQB-UHFFFAOYSA-N 407.514 3.494 0 40 HGAB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NC[C@@H](C(C)C)N(C)C)c2)cc1 23098512 REBRXFFBOZVICC-FQEVSTJZSA-N 403.548 3.112 0 40 HGAB O=C(Nc1ccc(CNC(=O)N2CCC[C@H]2C(=O)Nc2ccccc2)cc1)C1CC1 23174414 DXSZSLFOJLLPPW-FQEVSTJZSA-N 406.486 3.348 0 40 HGAB CC(C)C(=O)N1CCC(C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)CC1 24751470 MANVTWJYODDQPA-UHFFFAOYSA-N 405.970 3.315 0 40 HGAB COc1ccccc1N1CCN([C@H]2CC(=O)N(c3ccc4ccccc4c3)C2=O)CC1 25480234 IIIOOMKGDPDZRG-QFIPXVFZSA-N 415.493 3.303 0 40 HGAB Cc1cc(NC(=O)CSc2nnnn2-c2ccccc2)n(-c2ccccc2C)n1 29268787 RKCFFKVKHLVNLL-UHFFFAOYSA-N 405.487 3.196 0 40 HGAB Cn1c(SCCN2C(=O)CCC2=O)nc2scc(-c3ccc(F)cc3)c2c1=O 31442397 NOAQETAQKRGVMQ-UHFFFAOYSA-N 417.487 3.042 0 40 HGAB COc1cc(CCC(=O)N2CCC(c3nnc4ccccn34)CC2)cc(OC)c1OC 32744711 MJNTYTRRNFCKMO-UHFFFAOYSA-N 424.501 3.094 0 40 HGAB COC(=O)C[C@H](NC(=O)C[C@H](NC(C)=O)c1ccc(Cl)cc1)c1cccs1 32900558 AXPVARLUHCNEJA-HOTGVXAUSA-N 408.907 3.389 0 40 HGAB O=C(CC[C@H]1N=C(O)N(CCc2c[nH]c3ccc(Cl)cc23)C1=O)NC1CCCC1 36594984 LFSMUKIBXKFYGP-GOSISDBHSA-N 416.909 3.328 0 40 HGAB C[C@H](CNC(=O)c1cc(C2CC2)nc2c1cnn2C)Cn1ccc(C(F)(F)F)n1 36616068 BMDCTRPTLNHOGG-LLVKDONJSA-N 406.412 3.127 0 40 HGAB Cc1c(NC(=O)c2cccc(NC(=O)[C@H]3C[C@@H]3C)c2)c(=O)n(-c2ccccc2)n1C 36760568 AQIQVNLVOGHVQJ-LIRRHRJNSA-N 404.470 3.331 0 40 HGAB O=C(CCS(=O)(=O)c1ccccc1)Nc1ccc(-c2cn3c(n2)SCC3)cc1 38735702 CHAUHTAQCNHAPE-UHFFFAOYSA-N 413.524 3.458 0 40 HGAB O=S(=O)(c1ccc2nncn2c1)N(Cc1ccccc1)c1ccc(F)c(F)c1 49408554 QYCZAXHZLRPVDM-UHFFFAOYSA-N 400.410 3.403 0 40 HGAB COc1ccc(CNC(=O)c2nn(-c3ccccc3)c3ccccc3c2=O)c(OC)c1 49410109 PFORNISJEGNHHA-UHFFFAOYSA-N 415.449 3.333 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N(C)Cc3ccccc3F)C2)cc1 52956938 BMBHMEDIUHEJKH-SFHVURJKSA-N 404.507 3.193 0 40 HGAB COC(=O)[C@@H](NC(=O)c1ccc(-n2cccn2)cc1)c1ccc(Br)cc1 58142195 KVORQZOIIHDAGS-KRWDZBQOSA-N 414.259 3.279 0 40 HGAB CCOc1cc(C)ccc1OCc1nnc(SCC(=O)Nc2nccs2)n1C 72191658 JEJCYACCXPISSP-UHFFFAOYSA-N 419.532 3.289 0 40 HGAB CC(C)(C)OC(=O)c1ccccc1NC(=O)c1cc(C(N)=O)n(-c2ccccc2)n1 95985586 GJICSXRNJUKRQW-UHFFFAOYSA-N 406.442 3.179 0 40 HGAB COc1ccc(-n2cccc2/C=C2\SC(=O)N(CC(=O)N3CCCC3)C2=O)cc1 96295687 IRBTVWWTOFTPCV-AQTBWJFISA-N 411.483 3.145 0 40 HGAB CSCC[C@H](NC(=O)c1cc(-c2ccccc2)n(C)n1)c1nnc2ccccn12 96344990 AZIPJXWPDSEBLV-INIZCTEOSA-N 406.515 3.354 0 40 HGAB O=C(COC(=O)c1cccc(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1)c1ccc(F)cc1 101226760 IIRMIIJRJYRYAX-KDURUIRLSA-N 407.397 3.321 0 40 HGAB O=C(COc1ccccc1F)N1[C@H]2CC[C@H]1CC(S(=O)(=O)c1ccccc1)C2 101323093 RKELPPNPZGQLDM-HOTGVXAUSA-N 403.475 3.200 0 40 HGAB CN(CC(=O)/N=c1/sc2ccccc2n1C)C(=O)c1ccc(Br)s1 104257162 PZVDBRXQOUNAMW-FBMGVBCBSA-N 424.345 3.263 0 40 HGAB COc1ccccc1CCCNC(=O)CCCN(c1cccc(C)c1)S(C)(=O)=O 219619045 YZJQXJHMPTUURT-UHFFFAOYSA-N 418.559 3.299 0 40 HGAB CC[C@H](NC(=O)[C@@H](C)N(c1cccc(OC)c1)S(C)(=O)=O)c1ccc(C)cc1 220182933 RCKXJKAVVPXFJX-UZLBHIALSA-N 404.532 3.426 0 40 HGAB COc1ccc(-c2noc(CN(C)S(=O)(=O)Cc3ccccc3C)n2)cc1OC 223625507 QRGPOLLZMFFTMV-UHFFFAOYSA-N 417.487 3.024 0 40 HGAB Cc1ccc(OCCNC(=O)CN(c2cc(Cl)ccc2C)S(C)(=O)=O)c(C)c1 223679542 YGBJAVQKUFFUTL-UHFFFAOYSA-N 424.950 3.226 0 40 HGAB C[C@@H]1CCCCN1c1cc(Sc2ncccn2)nc(NC(=S)NC2CC2)n1 226003855 QYFDODGMDAWVSB-GFCCVEGCSA-N 401.565 3.245 0 40 HGAB COc1cc(N2CCCCCC2)nc(NC(=S)NCc2ccc3c(c2)OCO3)n1 226011626 PRRUJUYZQQBWHR-UHFFFAOYSA-N 415.519 3.081 0 40 HGAB CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](C(=O)NCC(C)(C)C)C1 226050232 QJOUITPETVEXEJ-CQSZACIVSA-N 416.971 3.302 0 40 HGAB O=C(CCC(=O)N1CCC(N2CC(=O)N(c3ccccc3)C2=O)CC1)c1ccccc1 245020784 MGTXEVVURCRQFT-UHFFFAOYSA-N 419.481 3.109 0 40 HGAB Cc1cc(C)n(C[C@H](C)C(=O)N[C@@H]2C[C@]3(CCC(=O)N(C)CC3)Oc3ccccc32)n1 248128632 MNXHWOZKCJPKTQ-LZBHBKQYSA-N 424.545 3.157 0 40 HGAB COc1ccc(NC(=O)c2nnc3n2C[C@H]2CN(Cc4cccc(C)c4)C[C@H]2C3)cc1 306128030 GOFMJAADXKARMN-RTBURBONSA-N 417.513 3.152 0 40 HGAB COc1ccc(OC)c(NC(=O)[C@@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)c1 408558137 QDCUTWOVDHDOSX-GFCCVEGCSA-N 412.895 3.150 0 40 HGAB COc1ccc(NC(=O)[C@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)c(OC)c1 408559147 ULEJKRCGJLDVFT-LBPRGKRZSA-N 412.895 3.150 0 40 HGAB CNC(=O)C(=O)Nn1c(C(=O)Nc2ccccc2Cl)cc2cc(Cl)ccc21 408603642 GRWDSNQMXYMBQG-UHFFFAOYSA-N 405.241 3.017 0 40 HGAB CC1CCN(S(=O)(=O)c2ccc(N3C(=O)[C@H]4CC[C@@](C)(C3=O)C4(C)C)cc2)CC1 408722020 ONURKDBORVBFPC-GCJKJVERSA-N 418.559 3.423 0 40 HGAB CC1=C(C(N)=O)[C@@H](c2ccccc2)NC(SCC(=O)Nc2cc(C)cc(C)c2)=N1 408990626 OGFZDWJXXSPSAP-HXUWFJFHSA-N 408.527 3.435 0 40 HGAB CCOc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)cc1 409127431 CPVYEEGPVFNXJN-AWEZNQCLSA-N 416.861 3.274 0 40 HGAB CN(CC1CCN(c2ccncc2)CC1)C(=O)c1cn(-c2ccccc2Cl)nn1 500117059 DLBWPQCDMWQPSP-UHFFFAOYSA-N 410.909 3.304 0 40 HGAB O=C([C@H](c1ccccc1)N1CCc2ccccc21)N1CCC[C@@H](Cn2ccnn2)C1 505777135 FXLJLCGODMQMMS-XXBNENTESA-N 401.514 3.321 0 40 HGAB CCc1noc2ncc(C(=O)N3CCN(c4cc(C(F)(F)F)ccn4)CC3)cc12 527255132 CUIOYYYEWKCWQK-UHFFFAOYSA-N 405.380 3.161 0 40 HGAB C[C@]1(c2ccccc2)CN(C(=O)NCc2cccnc2OCC(F)(F)F)CCO1 532353992 KQGGNBXWOMNHQJ-LJQANCHMSA-N 409.408 3.480 0 40 HGAB CN1CCN(c2ccnc(-c3noc(-c4ccc5nc(C(F)F)[nH]c5c4)n3)c2)CC1 547215155 HOTUEACDRQPOFZ-UHFFFAOYSA-N 411.416 3.364 0 40 HGAB O=C([C@@H]1Cc2ccccc2CO1)N1CC[C@@H](c2ccccc2Cl)S(=O)(=O)CC1 575618347 VJNOJDFUQJULSV-PMACEKPBSA-N 419.930 3.170 0 40 HGAB CCOc1ccc(C(=O)N2CCc3ncc(-c4cnn(CC5CC5)c4)n3CC2)cc1 585111256 LREGGFZZHDLNPI-UHFFFAOYSA-N 405.502 3.254 0 40 HGAB COc1ccc(Cl)cc1NC(=O)C(=O)NCCc1ccc(-c2cnn(C)c2)cc1 1889277379 UXKYKCQLPQDRAB-UHFFFAOYSA-N 412.877 3.047 0 40 HGAB c1ccc(-c2nc(CN3CCN(c4ccc(-n5cccn5)nn4)CC3)cs2)cc1 2086889682 MRPSQUVDKKYLKQ-UHFFFAOYSA-N 403.515 3.108 0 40 HGAB COC(=O)c1c(NC(=O)c2ccc(Cl)cc2)sc(C(=O)N2CCOCC2)c1C 871958 QACRQUHMQDKZSC-UHFFFAOYSA-N 422.890 3.221 0 40 HGAB Cc1cccc(N(CCOC(=O)c2cccnc2)C2=NS(=O)(=O)c3ccccc32)c1 1461832 APVKRGZQGZZXCH-UHFFFAOYSA-N 421.478 3.203 0 40 HGAB Cc1c(Cc2ccccc2)c(=O)oc2c(C)c(O[C@@H](C)C(=O)N[C@@H](C)C(=O)O)ccc12 2156234 QNQORKPXIPGGOB-HOTGVXAUSA-N 423.465 3.357 0 40 HGAB biogenic CC(C)c1nc2oc3c(NCCOCCO)ncnc3c2c2c1COC(C)(C)C2 2351224 ZZKQAAVEUBICQP-UHFFFAOYSA-N 400.479 3.167 0 40 HGAB CCOC(=O)[C@@H](Sc1nc(N)c2c3c(sc2n1)CO[C@](C)(CC)C3)C(C)=O 2405093 GNJHQNOXQGXBGD-SCLBCKFNSA-N 409.533 3.128 0 40 HGAB COCCn1c(S[C@H](C)C(=O)Nc2ccccc2OC)nc2ccccc2c1=O 2619706 QFZJSIVKYIBEEK-CQSZACIVSA-N 413.499 3.171 0 40 HGAB CC(=O)N[C@H](CC(=O)OCC(=O)Nc1ccc(OC(F)(F)F)cc1)c1ccccc1 3339050 JVSNNYMKTHHGDW-QGZVFWFLSA-N 424.375 3.334 0 40 HGAB Cc1ccc(NC(=O)CN(C)C(=O)COC(=O)c2c(-c3ccccc3)noc2C)cc1 3497245 IFSVMEQKYAHJSM-UHFFFAOYSA-N 421.453 3.212 0 40 HGAB O=C(NCCOc1ccccc1)[C@@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1 3667535 SECFJVNWUGCGES-QFIPXVFZSA-N 424.522 3.188 0 40 HGAB Cc1ccccc1N1C[C@H](C)Cn2c1nc1c2c(=O)n(Cc2ccccc2)c(=O)n1C 4249517 FRKMXLKUBBUQSM-INIZCTEOSA-N 415.497 3.041 0 40 HGAB C[C@H]1CN(C(=O)CSc2ncnc3c2cnn3-c2cccc(Cl)c2)C[C@H](C)O1 4341722 SZMLTMRGNYUFCB-STQMWFEESA-N 417.922 3.197 0 40 HGAB CCN1C(=O)[C@@](O)(CC(=O)c2ccccc2OC)c2cc(Br)ccc21 4555030 CYOZRWFKHMNLDB-LJQANCHMSA-N 404.260 3.285 0 40 HGAB CCc1nc2sc([C@@H](c3cccs3)N3CCC(C(=O)OC)CC3)c(O)n2n1 4584783 VLDJOIDWFZQVBW-CQSZACIVSA-N 406.533 3.095 0 40 HGAB Cc1ccc2sc(N3CCN(C(=O)[C@@H]4COc5ccccc5O4)CC3)nc2c1C 4585355 GYWQSUKVJLYYML-SFHVURJKSA-N 409.511 3.402 0 40 HGAB Cc1ccc(S(=O)(=O)N(CC(=O)NC2CC2)Cc2c(F)cccc2Cl)cc1 4674757 BGICWCUSCCNGKN-UHFFFAOYSA-N 410.898 3.257 0 40 HGAB CCOC(=O)C1CCN(C(=O)C2(NC(=O)NC3CCCCC3)CCCCC2)CC1 4981806 NBHYCTSNPBOAAR-UHFFFAOYSA-N 407.555 3.123 0 40 HGAB COc1cc(C(=O)NCc2n[nH]c(=S)n2-c2cccc(C)c2)cc(OC)c1OC 5659654 IAOPAKQQYJOMDP-UHFFFAOYSA-N 414.487 3.194 0 40 HGAB CCOC(=O)c1ccc(NC(=O)CSc2nc(-c3ccc(OC)cc3)n[nH]2)cc1 6154691 XRJXNCYGGFLLRS-UHFFFAOYSA-N 412.471 3.388 0 40 HGAB CC1(C)C(=O)Nc2ccccc2N1C(=O)COC(=O)c1cc2ccccc2cc1O 6378180 MVNJQFHCSUNDBC-UHFFFAOYSA-N 404.422 3.466 0 40 HGAB Cc1ccc(C(=O)Nc2nnc(C3CC3)s2)cc1S(=O)(=O)N1CCCCC1 6449925 DCIPHLZCHLWTFC-UHFFFAOYSA-N 406.533 3.151 0 40 HGAB CCOC(=O)C1=C(C)N=C2SC=CN2[C@@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-] 6891646 ZDMZXKFEJQNACI-MRXNPFEDSA-N 405.432 3.380 0 40 HGAB O=C(CN1CCc2ccccc21)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl 6923439 REOFQRPQSFQNOD-UHFFFAOYSA-N 419.934 3.126 0 40 HGAB CCOCCCNC(=O)c1ccc(N(Cc2ccccc2C)S(C)(=O)=O)cc1 6957895 CNLBSQBIARVLQW-UHFFFAOYSA-N 404.532 3.118 0 40 HGAB O=C(Cn1cnc2ccc(Br)cc2c1=O)N1CC[C@H]2CCCC[C@@H]2C1 7328221 RXSABHVEDHPQST-ZIAGYGMSSA-N 404.308 3.198 0 40 HGAB O=S(=O)(Nc1cccc(-n2cnnn2)c1)c1cc(C(F)(F)F)ccc1Cl 7423067 HYGBRHNLJUDSFX-UHFFFAOYSA-N 403.773 3.135 0 40 HGAB COc1cccc(C(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCCCC3)c2)c1 7687649 XEMPSYXBALODHH-UHFFFAOYSA-N 404.488 3.131 0 40 HGAB CC(=O)c1cccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3cc(C)cc(C)c3)C2)c1 8037888 RCBDVQGCDOQRFD-SFHVURJKSA-N 408.454 3.041 0 40 HGAB COc1ccccc1-c1noc(CN2C(=O)N[C@@]3(CCCc4sccc43)C2=O)n1 8262623 GIFZDEGRCXCNSN-HXUWFJFHSA-N 410.455 3.090 0 40 HGAB CCCNC(=O)[C@@H]1CN(C(=O)c2cc(Cl)c3c(c2)OCO3)c2ccccc2O1 8305205 JQFGPOXMLZQTEB-KRWDZBQOSA-N 402.834 3.003 0 40 HGAB O=C(NCCc1ccc(O)cc1)[C@H]1CCCN(C(=O)CCc2c[nH]c3ccccc23)C1 8765428 XLSDBODUUYRBQI-FQEVSTJZSA-N 419.525 3.404 0 40 HGAB biogenic COc1cc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2C)cc(Br)c1O 8915526 BOEJGGJNABFYCG-HNNXBMFYSA-N 416.227 3.445 0 40 HGAB C[C@@H](NC(=O)COc1ccccc1)C(=O)O[C@H](C)C(=O)C12CC3CC(CC(C3)C1)C2 9690643 UIBQEZPSWHLIES-DINPMHMFSA-N 413.514 3.287 0 40 HGAB COc1cccc(C2=NO[C@H](C(=O)Nc3cc(Br)ccc3O)C2)c1OC 9856686 YSDBVGRRRTVTDQ-INIZCTEOSA-N 421.247 3.304 0 40 HGAB Nc1c(-c2nc(-c3ccc4c(c3)OCO4)no2)nnn1-c1cccc(C(F)(F)F)c1 9971029 QVNPGEPIUDNHKB-UHFFFAOYSA-N 416.319 3.314 0 40 HGAB O=C(CCCS(=O)(=O)Cc1ccccc1)Nc1nnc(-c2ccc(F)cc2)o1 10687428 BPXDAHUMKNCCTO-UHFFFAOYSA-N 403.435 3.209 0 40 HGAB O=C(C[C@H]1CSc2nc3c(cnn3-c3ccccc3)c(=O)n21)Nc1ccccc1F 11613355 AHGMHILIIBREBJ-AWEZNQCLSA-N 421.457 3.397 0 40 HGAB CCn1cc(S(=O)(=O)N2CCC(CCc3ccc(C(=O)OC)cc3)CC2)c(C)n1 12325261 JSCLVPYHBNPGOC-UHFFFAOYSA-N 419.547 3.032 0 40 HGAB O=C(COc1ccc(Br)cc1Br)Nc1ncccc1O 12527508 ATWQVKNOGJGWAZ-UHFFFAOYSA-N 402.042 3.330 0 40 HGAB CCCn1nc(C(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)c2ccccc2c1=O 12623057 HLFRHHWCYAUCBU-UHFFFAOYSA-N 421.425 3.055 0 40 HGAB O=C(C[C@@H]1Sc2ccc(Cl)cc2NC1=O)Nc1ccc(N2CCOCC2)cn1 12770318 GPBRLGSAWHWXQG-INIZCTEOSA-N 418.906 3.013 0 40 HGAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 12887370 CIHKWTJRAXSQEL-NRFANRHFSA-N 416.481 3.387 0 40 HGAB C[C@@H](Oc1ccccc1Cl)C(=O)NC1CCN(CC(=O)Nc2ccccc2)CC1 12972932 XDHONZUNJSGWEQ-MRXNPFEDSA-N 415.921 3.327 0 40 HGAB CC[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CN2CCN(c3ccccc3)CC2)C1=O 13098105 ZRALWAXIBSWZIP-QFIPXVFZSA-N 412.921 3.277 0 40 HGAB CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)c2nc(-c3ccc(Cl)cc3)no2)cc1 13494911 UUKNCDSLTJMCTH-NSHDSACASA-N 420.878 3.388 0 40 HGAB O=C(Cn1c(=O)n(Cc2ccco2)c(=O)c2sccc21)Nc1ccccc1Cl 13532946 CUHYYLURASXAEA-UHFFFAOYSA-N 415.858 3.158 0 40 HGAB COc1ccc(CSC2=N[C@H]3CS(=O)(=O)C[C@H]3N2CCc2ccccc2)cc1 13692144 FKHKGDFJKYSBFG-VQTJNVASSA-N 416.568 3.008 0 40 HGAB O=C(NCCc1ccc(F)cc1)[C@@H]1CCCN(C(=O)Cc2c[nH]c3ccccc23)C1 13722686 IBDCQEWFAJBHOH-GOSISDBHSA-N 407.489 3.447 0 40 HGAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(N(C)S(=O)(=O)CC)cc1 14398484 YHHHBCVFMUXACP-HNNXBMFYSA-N 417.531 3.253 0 40 HGAB CN(CC(=O)Nc1cccc(Cl)c1)S(=O)(=O)c1ccc(Br)cc1 16188372 HMOCBZRYZNMSAX-UHFFFAOYSA-N 417.712 3.362 0 40 HGAB C[C@@H]1Cc2cc(C(=O)NCc3cccc(C(F)(F)F)c3)ccc2N1S(C)(=O)=O 17064654 QOISKIUBWAZMST-GFCCVEGCSA-N 412.433 3.346 0 40 HGAB Cc1cc(Br)ccc1NC(=O)CNC(=O)c1cc2ccccc2oc1=O 17958664 AJBXHCYIMOLUKF-UHFFFAOYSA-N 415.243 3.232 0 40 HGAB COc1ccccc1OCCNC(=O)c1cc(C2CCOCC2)c2cnccc2n1 19571504 UHDCKNDJRKVBFM-UHFFFAOYSA-N 407.470 3.341 0 40 HGAB CNc1cc(C2CCN(C(=O)c3ccnc(N(C)C)c3)CC2)nc(-c2ccncc2)n1 19592292 DGVIOAGYKJXNSY-UHFFFAOYSA-N 417.517 3.061 0 40 HGAB CNc1cc(CN(C)C(C)=O)nc([C@H]2CCCN2Cc2ccccc2N2CCCC2)n1 19760576 JICWWEQMVHVNRV-JOCHJYFZSA-N 422.577 3.434 0 40 HGAB O=C(NCCc1ccccc1)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1 19860688 DILWWQMMYFGPDA-IBGZPJMESA-N 420.962 3.241 0 40 HGAB Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCCCC4)nc(N)c32)cc1Cl 20674059 BOZBHZMAKUXJQM-CYBMUJFWSA-N 414.897 3.075 0 40 HGAB CC[C@@H](C)[C@H](NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc(F)c(F)c1F)C(=O)OC 20744650 NAJNDDFNMZKUJN-KAWXRDEMSA-N 424.423 3.072 0 40 HGAB C[C@@]1(Cc2ccc3c(c2)OCO3)NC(=O)N(Cc2cccc(C(F)(F)F)c2)C1=O 21585893 YYPBJVGOGNSWKF-IBGZPJMESA-N 406.360 3.487 0 40 HGAB C[C@@H]1CN(CC(=O)N(Cc2cccs2)c2ccc3c(c2)OCCO3)C[C@@H](C)O1 21642046 UJIBORIKVRHWDU-HZPDHXFCSA-N 402.516 3.162 0 40 HGAB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)[C@H]1CC(=O)N(c2ccccc2F)C1 21964614 KHBZEBGGFCDZIW-IBGZPJMESA-N 406.461 3.082 0 40 HGAB C[C@H](C(=O)Nc1sccc1C(N)=O)N1CCN(Cc2cccc3ccccc23)CC1 22785957 HOGZBYPAVBFBPP-MRXNPFEDSA-N 422.554 3.145 0 40 HGAB CC(=O)Nc1cc(NC(C)=O)cc(C(=O)N2CCC[C@H](C(=O)Nc3ccccc3)C2)c1 23422502 LGEZPFYLEAALTI-KRWDZBQOSA-N 422.485 3.094 0 40 HGAB CN(C)S(=O)(=O)c1cccc(NC(=O)c2ccc(NC(=O)c3ccco3)s2)c1 23682254 PORLHCALKDBCSS-UHFFFAOYSA-N 419.484 3.096 0 40 HGAB CCN(Cn1nc(-c2ccc(C(C)(C)C)cc2)n(C)c1=S)[C@H]1CCS(=O)(=O)C1 24178809 FSFMPXAGNOHFKU-KRWDZBQOSA-N 422.620 3.382 0 40 HGAB COc1ccc(OC)c(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)s3)C2)c1 25056906 UMPUFZHQHBWGSH-CQSZACIVSA-N 424.544 3.113 0 40 HGAB COc1cc(NC(=O)/C=C/c2ccc(Br)o2)c(C(=O)N(C)C)cc1OC 25213344 MQTXFURYHWPDOK-SOFGYWHQSA-N 423.263 3.413 0 40 HGAB CCOC(=O)c1ccc(N2CCN([C@H](C)c3nc(-c4ccc(C)cc4)no3)CC2)nc1 25494501 GRQVUJZGPHKOHQ-QGZVFWFLSA-N 421.501 3.500 0 40 HGAB O=C(c1ccc(F)cc1)c1ccccc1C(=O)N1CCN(C(=O)c2ccoc2)CC1 25750671 YWNOPCWEYADBTR-UHFFFAOYSA-N 406.413 3.248 0 40 HGAB COc1cccc(SCC(=O)N2CCCc3cc(S(=O)(=O)N(C)C)ccc32)c1 27662578 CUDGPUUNTJDXIS-UHFFFAOYSA-N 420.556 3.017 0 40 HGAB CS(=O)(=O)c1ncc(Br)c(C(=O)Nc2cccc3ccccc23)n1 27745366 ZLTVHGZOWZRGAS-UHFFFAOYSA-N 406.261 3.048 0 40 HGAB Cn1cc(C(=O)Nc2cc(Cl)ccc2NS(=O)(=O)c2ccccc2F)cn1 31651541 QZWWMVGPWYZWOD-UHFFFAOYSA-N 408.842 3.266 0 40 HGAB Cc1c(CC(=O)N2CCC[C@H]2C(N)=O)c(=O)oc2c(C)c3occ(C(C)(C)C)c3cc12 32094583 FSTQAIAMMRAAPO-SFHVURJKSA-N 424.497 3.472 0 40 HGAB C[C@H]1CN(c2ccc(C(=O)N[C@H](C)c3ccc4c(c3)OCCCO4)cn2)C[C@@H](C)O1 32284190 VZHZLHHBFUNQCF-IXDOHACOSA-N 411.502 3.348 0 40 HGAB CNC(=O)Cc1ccccc1NC(=O)c1csc(-c2cccc(OC)c2OC)n1 32832500 ZCKMCBPFCBKTHE-UHFFFAOYSA-N 411.483 3.368 0 40 HGAB COc1ccc(C(=O)N2CCCc3cc(C)ccc32)cc1S(=O)(=O)NC1CC1 32904907 ZTYFFOGQKDNERB-UHFFFAOYSA-N 400.500 3.037 0 40 HGAB CC(=O)N[C@@H](CC(=O)Nc1ccccc1N1CCOCC1)c1ccccc1Cl 32922357 FFBXRVRCBNQENB-IBGZPJMESA-N 401.894 3.383 0 40 HGAB COC[C@@H](C)NC(=O)c1cc(S(=O)(=O)Nc2ccccc2F)ccc1Cl 33028563 YNPAQOOEXPVZTB-LLVKDONJSA-N 400.859 3.045 0 40 HGAB CCNS(=O)(=O)c1ccc(CCC(=O)Nc2cccc(Br)c2)cc1 33729725 CARSLJKIDZQUJK-UHFFFAOYSA-N 411.321 3.319 0 40 HGAB Cc1nc2n(c(=O)c1C)CN(C[C@@H]1CCCO1)CN2c1cccc(C(F)(F)F)c1 38830025 REUQKMIJBXSUIT-KRWDZBQOSA-N 408.424 3.427 0 40 HGAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2cc(C)ccc2OC)cc1C 39986251 DGUUGNZJVQZKAA-UHFFFAOYSA-N 420.531 3.360 0 40 HGAB O=C(c1cc(-c2cccc(Cl)c2)on1)N1CCN(C(=O)N2CCCCC2)CC1 40087404 ULGUJUKFVIAAQC-UHFFFAOYSA-N 402.882 3.359 0 40 HGAB Cc1cc(C(=O)N2CCCc3c(F)cc(F)cc32)cc(S(=O)(=O)N(C)C)c1C 41866203 YYDFXWJLKAZZRF-UHFFFAOYSA-N 408.470 3.425 0 40 HGAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(NS(C)(=O)=O)cc1Cl 44885782 HMOOZWJNZWAZIZ-GFCCVEGCSA-N 423.922 3.492 0 40 HGAB CN(C)[C@H](CNS(=O)(=O)c1ccccc1OC(F)(F)F)c1cccc(F)c1 48314952 ICMRNXCOUQZEOQ-CQSZACIVSA-N 406.401 3.306 0 40 HGAB COc1ccc(S[C@@H](C)C(=O)N2CCC(C(=O)Nc3cc(C)on3)CC2)cc1 48366091 SFUKMWPREVCARB-AWEZNQCLSA-N 403.504 3.350 0 40 HGAB CCOc1ccccc1-n1ccn(Cc2nc(-c3ccc(Cl)cc3)no2)c(=O)c1=O 49407795 ATJDFCVODTVFBP-UHFFFAOYSA-N 424.844 3.150 0 40 HGAB Cc1ccc2c(c1)C(=O)N(CCCC(=O)Nc1ccc3c(C)cc(=O)oc3c1)C2=O 57722417 JMCJOALKGQTRNC-UHFFFAOYSA-N 404.422 3.425 0 40 HGAB COCCN(C)C[C@H]1CCCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl 58364966 HAQDVWBPEJDALO-GFCCVEGCSA-N 415.770 3.378 0 40 HGAB O=C(NCC(=O)N1CCC(C(=O)c2ccc(Cl)c(Cl)c2)CC1)c1ccco1 58423360 YWAYZKLKYBKNPO-UHFFFAOYSA-N 409.269 3.438 0 40 HGAB COC(=O)c1ccccc1N(C)C(=O)COC(=O)c1ccc(Cl)c(Cl)c1N 61722922 PGJVSXQUGDAFSS-UHFFFAOYSA-N 411.241 3.182 0 40 HGAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)N1CCC[C@H](c2ccncn2)C1 69415628 DUUUXLBPBDAPAZ-MOPGFXCFSA-N 404.518 3.486 0 40 HGAB CCCCOCCN(c1ccc(Br)cc1)S(=O)(=O)c1cn(C)cn1 72289877 HTNCKHQNFTVLSO-UHFFFAOYSA-N 416.341 3.195 0 40 HGAB COCCOc1ncccc1C(=O)NCCCC1(C2OCCO2)CCCCCC1 72301407 GPAILVUUFGXYNA-UHFFFAOYSA-N 406.523 3.330 0 40 HGAB CN(C)c1ncc(-c2ccc(F)cc2)c([C@@H]2CCCN(C(=O)c3ccnn3C)C2)n1 72376662 HHFCYRQZCZVFGU-MRXNPFEDSA-N 408.481 3.102 0 40 HGAB Cc1cc(=O)c(OCC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)co1 72401593 CVLZMUUKXSNBIN-UHFFFAOYSA-N 418.493 3.261 0 40 HGAB O[C@@H](COc1ccc(-c2ccccc2)cc1)CN1CCCN(c2ncccn2)CC1 72405730 VCNNPYADKSFNCF-JOCHJYFZSA-N 404.514 3.096 0 40 HGAB O=C([C@@H]1CCCN1S(=O)(=O)c1ccccc1)N(Cc1ccccc1)c1ccncc1 95457253 LOLZOJNSZXIFQA-QFIPXVFZSA-N 421.522 3.468 0 40 HGAB CCN1CC[C@@]2(CN(CC(C)C)CC23CCN(C(=O)c2ccc(C)cc2)CC3)C1=O 96144326 FEXZXRCDCKTUAE-RUZDIDTESA-N 411.590 3.428 0 40 HGAB COc1ccc(CN2Cc3ccccc3C3(CCN(CC(=O)N(C)C)CC3)C2)cc1 96242427 KJXCQCOOSLOKQM-UHFFFAOYSA-N 407.558 3.133 0 40 HGAB CC[C@@](Br)([C@@H](O)c1ccc(Br)cc1)S(=O)(=O)CC 96521612 YUUZMRMXLITBQE-RYUDHWBXSA-N 400.132 3.418 0 40 HGAB COc1cccc(C(=O)NCC(=O)N[C@H](C)c2noc(-c3ccc(Cl)cc3)n2)c1 97083229 BRGSREMQGUMNDW-GFCCVEGCSA-N 414.849 3.006 0 40 HGAB CC(C)S(=O)(=O)c1ccc(CC(=O)N(Cc2ccco2)C2CCOCC2)cc1 206672551 LWOPUKIMOLUENB-UHFFFAOYSA-N 405.516 3.212 0 40 HGAB Cc1ccc(S(=O)(=O)[C@H]2[C@@H](c3ccccc3)[C@@]2(CN)NC(=O)OC(C)(C)C)cc1 218048452 FDKSSCHDQAEKOZ-XQBPLPMBSA-N 416.543 3.157 0 40 HGAB Cc1ccc(OC[C@H](C)NC(=O)[C@H]2CCCN(S(=O)(=O)c3cccs3)C2)cc1 219258907 JROHUNXEZDSURG-IRXDYDNUSA-N 422.572 3.041 0 40 HGAB COc1ccc(CCCNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)cc1 219983954 KQXNQWMYXJTYHT-UHFFFAOYSA-N 416.543 3.232 0 40 HGAB CC[C@H](C(=O)NCc1ccccc1Cl)N(c1cccc(OC)c1)S(C)(=O)=O 220621362 FMONMPMPXUCBLA-GOSISDBHSA-N 410.923 3.210 0 40 HGAB CN([C@@H](C(=O)NCCSc1ccc(Cl)cc1)c1ccccc1)S(C)(=O)=O 224501899 CQFPHEVDWXKREU-QGZVFWFLSA-N 412.964 3.181 0 40 HGAB COc1ccccc1N(CC(=O)Nc1ccc(N2CCCCC2)cc1)S(C)(=O)=O 224950793 GJWDQIXGDVOTFF-UHFFFAOYSA-N 417.531 3.090 0 40 HGAB O=C(NC1CCN(c2ncnc3c2CCCC3)CC1)c1cc(-c2cccs2)n[nH]1 225736984 VFJUNDFWXPBTEX-UHFFFAOYSA-N 408.531 3.206 0 40 HGAB C[C@@H]1C[C@@H](C)CN(c2cc(N3CCOCC3)nc(NC(=S)NC3CCCC3)n2)C1 226005656 BWHPUJVLIDNJAB-HZPDHXFCSA-N 418.611 3.025 0 40 HGAB CCOc1cccc2c1OC(C)(C)[C@H]1CC3(CCN(S(C)(=O)=O)CC3)CO[C@H]21 257223741 DYQMTFSSYUOSOW-FUHWJXTLSA-N 409.548 3.376 0 40 HGAB O=C(COc1cccnc1)N1CCC2(CC1)Oc1c(O)cccc1[C@H]1OCCC[C@@H]12 257251289 JQCVSBKQEFPRCQ-GHTZIAJQSA-N 410.470 3.088 0 40 HGAB CN(C)C(=O)c1sc2nc([C@H]3CCCCN3C(=O)c3cccnc3)ccc2c1N 257285640 PICZJUDNFBEOLA-MRXNPFEDSA-N 409.515 3.343 0 40 HGAB CCn1c(C)c(C)c2cc(C(=O)NS(=O)(=O)c3ccc(NC(C)=O)cc3)ccc21 257343994 ZVHVAMBCZCNOEZ-UHFFFAOYSA-N 413.499 3.355 0 40 HGAB CCOc1ccc(N([C@@H](C)C(=O)N[C@H](C)c2ccc(C)cc2)S(C)(=O)=O)cc1 260409001 YMBIIFLRHWIYFP-SJORKVTESA-N 404.532 3.426 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)N[C@@H]1C[C@H]2CC[C@H]1C2 260759626 CKBOOPKFUAIBCO-ABSDTBQOSA-N 420.575 3.107 0 40 HGAB CN1CCN(Cc2ccc(F)cc2)C[C@H]1c1nnn2cc(-c3ccncc3)ccc12 306138820 SIFAORBNIMVCAO-QFIPXVFZSA-N 402.477 3.419 0 40 HGAB CN1CCN(Cc2nccs2)C[C@@H]1c1nnn2cc(-c3cccc(F)c3)ccc12 306143616 YGVYHZQTLBMPRH-LJQANCHMSA-N 408.506 3.481 0 40 HGAB CCc1cccc(CC)c1NS(=O)(=O)c1ccc(C)c(C(=O)NCCOC)c1 408600882 DBPJJTVSBRTHAE-UHFFFAOYSA-N 404.532 3.297 0 40 HGAB CCN(c1ccc(C(=O)N[C@H](C)COC)cc1)S(=O)(=O)c1ccc(SC)cc1 408701977 ILFLPKMUAZYQCC-OAHLLOKOSA-N 422.572 3.388 0 40 HGAB CCC(C)(C)C1CCC(NC(=O)C(=O)NCCc2ccc(OC)c(OC)c2)CC1 408710309 WRBYWNXCZJHCNO-UHFFFAOYSA-N 404.551 3.474 0 40 HGAB CCOc1c(Br)cc(/C=C2/NC(=O)N(C)C2=O)cc1Br 409187779 CCDBOPGGBGQRQV-UXBLZVDNSA-N 404.058 3.133 0 40 HGAB COc1cc(/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)ccc1O 409213232 SVFDUHSACJYOAP-ODLFYWEKSA-N 424.478 3.022 0 40 HGAB COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)c2cc(OC)ccc2OC(F)(F)F)C1 1539715080 XNBMDIUAMNBHCX-AWEZNQCLSA-N 415.286 3.161 0 40 HGAB COc1ccccc1CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 791990 PYSFWQWSJOUUKJ-MRXNPFEDSA-N 422.934 3.066 0 40 HGAB CC(C)[C@H]1Oc2ccccc2N(CC(=O)N(Cc2ccccn2)C[C@H]2CCCO2)C1=O 1362011 OJBCVHZSJPBIOD-AUSIDOKSSA-N 423.513 3.039 0 40 HGAB COC(=O)c1sccc1-n1cc(-c2onc(-c3ccccc3)c2C(=O)OC)nn1 1394727 NJWPJJWTCUOQLW-UHFFFAOYSA-N 410.411 3.224 0 40 HGAB CCOc1cccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c1 4217981 MDGFRYUFXVLEHC-UHFFFAOYSA-N 402.516 3.433 0 40 HGAB Cc1cc(Br)ccc1NC(=O)CN1C(=O)NC2(CCCCCC2)C1=O 4469491 NZHSOICHRQQEAH-UHFFFAOYSA-N 408.296 3.341 0 40 HGAB COc1ccc(-c2noc(CN(C)C(=O)COc3cc(C)cc(C)c3)n2)cc1OC 4943544 UBQCHEAEMIZACH-UHFFFAOYSA-N 411.458 3.408 0 40 HGAB COc1cccc(-c2nnc(SCC(=O)Nc3ccc(OC)cc3OC)n2C)c1 4993386 AQSONOHOHCNRMO-UHFFFAOYSA-N 414.487 3.239 0 40 HGAB Cc1cccc(-n2nc3c(c2NC(=O)c2ccc(F)c(F)c2)CS(=O)(=O)C3)c1 5078053 URNZJRAHEMGPPX-UHFFFAOYSA-N 403.410 3.140 0 40 HGAB CC(C)COC(=O)N1CCC[C@@H]1C(=O)OCC(=O)c1ccc(Br)cc1 6159653 XDTVFOFKFPIQBI-OAHLLOKOSA-N 412.280 3.432 0 40 HGAB COc1cc(/C=C/C(=O)OCC(=O)N2c3ccccc3C[C@H]2C)cc(OC)c1OC 6602145 CXSWMUHIAVOHNC-BOLDSZDNSA-N 411.454 3.247 0 40 HGAB O=C1S/C(=C\c2ccc(Cl)cc2)C(=O)N1CC(=O)N1CCCC[C@H]1CCO 6660355 JHGWYWYQXUYBPN-CNYBTUBUSA-N 408.907 3.140 0 40 HGAB CCN1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3C)c2)CC1 6706769 FYRGXPXJCZJLTG-UHFFFAOYSA-N 421.950 3.227 0 40 HGAB CCCOc1ccc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCCO)cc1 6752894 QZKREPPYWNACRR-QFIPXVFZSA-N 407.470 3.499 0 40 HGAB O=C(NCc1cn2ccccc2n1)c1ccccc1NS(=O)(=O)c1cccs1 7027442 NANSLPPATVVKHY-UHFFFAOYSA-N 412.496 3.127 0 40 HGAB CCCN(CC(=O)Nc1ccc(N2CCCC2=O)cc1)Cc1nnc(-c2ccco2)o1 7589618 PRQOAUSGQVEAAR-UHFFFAOYSA-N 423.473 3.307 0 40 HGAB CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)CCc1nc2ccccc2o1 7736658 MCLJTRZNFOAFDG-UHFFFAOYSA-N 409.442 3.019 0 40 HGAB Cc1ccc(CSCCNC(=O)[C@@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)cc1 7872005 KPFYLCCTCBYLLE-MRXNPFEDSA-N 424.563 3.338 0 40 HGAB O=C(CN1CCC[C@@H]1c1ccc2c(c1)OCCCO2)NCc1ccc2c(c1)OCO2 8310346 IINPMNIWOVOHMW-GOSISDBHSA-N 410.470 3.030 0 40 HGAB CC(C)[C@H](NC(=O)C1=NN(c2ccccc2)C(=O)CC1)c1ccc2c(c1)OCCO2 8391551 LINHLGAWYIIYTI-QFIPXVFZSA-N 407.470 3.454 0 40 HGAB C[C@@H](c1ccccc1)N1C[C@@H](C(=O)N(C)Cc2cnn(Cc3ccccc3)c2)CC1=O 8709529 CIASXGPDBVAAEM-CVDCTZTESA-N 416.525 3.500 0 40 HGAB CCOC(=O)c1sc(NC(=O)CCCn2cnc3c(C)cccc3c2=O)nc1C 8940528 FHBFRYKJLPACPF-UHFFFAOYSA-N 414.487 3.065 0 40 HGAB O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)CCn2cnc3ccccc32)CC1 9642935 AVTBVUXGECPZAX-UHFFFAOYSA-N 420.469 3.032 0 40 HGAB O=S(=O)(NCCOc1ccc(-c2cccs2)nn1)c1ccc(Cl)s1 9853668 DPHSKHYYTZUOJN-UHFFFAOYSA-N 401.922 3.277 0 40 HGAB COc1ccc(F)cc1S(=O)(=O)N1CCC(C(=O)Nc2ccc(F)cc2)CC1 10302946 LEHHCORGUJECDO-UHFFFAOYSA-N 410.442 3.013 0 40 HGAB O=C(NC1CCN(C(=O)Cc2ccc(Br)cc2)CC1)c1ccccc1 10780634 KITGCOGINPFFBK-UHFFFAOYSA-N 401.304 3.413 0 40 HGAB CCC(=O)N1CCCc2cc(NS(=O)(=O)CCc3ccc(OC)cc3)ccc21 11612425 GHPHGRJXACDNLD-UHFFFAOYSA-N 402.516 3.369 0 40 HGAB COC1CCC(C(=O)N2CCC[C@H](Cn3nc(-c4cccs4)ccc3=O)C2)CC1 12145168 UWTARQCMGPDIPD-AOCRQIFASA-N 415.559 3.416 0 40 HGAB COCCn1/c(=N\C(=O)c2cccc(OC)c2OC)sc2cc(F)cc(F)c21 12237952 MYVPIDVUSWVBAJ-ZBJSNUHESA-N 408.426 3.386 0 40 HGAB O=C(NC[C@@H]1CCCO1)c1ccccc1NS(=O)(=O)c1ccc(Cl)s1 12557275 ZWNNZRLQPXCUEV-NSHDSACASA-N 400.909 3.111 0 40 HGAB Cc1ccc(NC(=O)CN(C)CC(=O)Nc2cc(C)nn2-c2ccc(F)cc2)cc1 12795531 PBXDLIPMOPHVFI-UHFFFAOYSA-N 409.465 3.137 0 40 HGAB CCOc1cc2c(cc1NC(=O)c1cccc(S(=O)(=O)NC(C)C)c1)O[C@@H](C)C2 12937905 DISBDYJLVYDXTM-AWEZNQCLSA-N 418.515 3.348 0 40 HGAB COc1ccc(-c2csc(NC(=O)[C@@H]3CS[C@]4(C)CCC(=O)N34)n2)c(OC)c1 13004086 ONFAVXXIUYCHSF-IFXJQAMLSA-N 419.528 3.220 0 40 HGAB O=C(CCCc1ccncc1)N1CCC(c2nc(O)cc(-c3ccccn3)n2)CC1 13267948 QVOVPLKJLSFZAZ-UHFFFAOYSA-N 403.486 3.368 0 40 HGAB CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)c(OC)c(OC)c2)n2nc(C)nc2N1 13570012 LTCUSWQIYQCWNV-SFHVURJKSA-N 416.478 3.245 0 40 HGAB COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)NCCC(=O)NC1CC1)CC2 13624449 DWOATOSEMGHCNT-QHCPKHFHSA-N 423.513 3.030 0 40 HGAB COc1ccc([C@H](CNC(=O)c2ccccc2N2CCCC2=O)N2CCCC2)cc1 14118082 DAVIYYSHNDIXCB-QFIPXVFZSA-N 407.514 3.389 0 40 HGAB CCOC(=O)c1c(NC(=O)Cc2cccc(OC)c2)sc(C(=O)N(C)C)c1C 14199122 SGBQCJTZBBNIST-UHFFFAOYSA-N 404.488 3.125 0 40 HGAB O=C(Nc1cccc2cccnc12)c1ccc2c(c1)SC1=NS(=O)(=O)CCN12 14517055 AAUSSMYDRBBMCR-UHFFFAOYSA-N 410.480 3.099 0 40 HGAB O=S(=O)(N[C@@H](CN1CCOCC1)c1ccccc1)c1c(Cl)cccc1Cl 14871091 NZNVUURCIUCYGZ-KRWDZBQOSA-N 415.342 3.345 0 40 HGAB Cc1nc(-c2ccccn2)sc1C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1 19205646 QSWXDIUWPDFSLF-UHFFFAOYSA-N 416.528 3.453 0 40 HGAB COc1ccc(CN2CCc3c(nc(C(C)C)nc3N3CCOCC3)C2)cc1OC 19453687 VQTSQMAXTRBVDJ-UHFFFAOYSA-N 412.534 3.012 0 40 HGAB COCc1nnc(NC(=O)C2CCN(c3ncnc4sc(C)c(C)c34)CC2)s1 19561640 VSUJYYNGAJEQCQ-UHFFFAOYSA-N 418.548 3.161 0 40 HGAB COc1cccc([C@]2(O)CCC[C@H]3CN(S(=O)(=O)c4ccccc4F)C[C@@H]32)c1 19565070 UGSOYORNTHRSMM-UQASEVPWSA-N 405.491 3.143 0 40 HGAB Cc1cc(F)ccc1S(=O)(=O)N1CC[C@H](c2c(C(N)=O)sc3ncccc23)C1 19702320 DNZOQTVVIITKFG-LBPRGKRZSA-N 419.503 3.021 0 40 HGAB CC(C)[C@H](c1nnnn1CCc1ccccc1)N1CCN(Cc2ccccc2)CC1 20142160 GOFBMJYJJVVUBS-HSZRJFAPSA-N 404.562 3.431 0 40 HGAB O=C(Nc1ccc2c(c1)OCCO2)c1ccc(CS(=O)(=O)N2CCCCC2)cc1 20450731 WWJLPYALNNRNIH-UHFFFAOYSA-N 416.499 3.026 0 40 HGAB COCC(=O)N1CCCc2ccc(NS(=O)(=O)c3ccc(C)c(Cl)c3)cc21 21756886 LOPYJHYRKICGIH-UHFFFAOYSA-N 408.907 3.375 0 40 HGAB O=S(=O)(Oc1ccc(-n2cnnn2)cc1)c1ccc(Cl)c(C(F)(F)F)c1 21821560 JOYMKMLZGMFVDR-UHFFFAOYSA-N 404.757 3.102 0 40 HGAB CCc1ccccc1NC(=O)[C@H]1CCCN1S(=O)(=O)c1cc(OC)ccc1C 22229753 SBZQPNMMBUNUTD-LJQANCHMSA-N 402.516 3.358 0 40 HGAB CCCNC(=O)COc1ccc(N(Cc2ccccc2Cl)S(C)(=O)=O)cc1 22232923 DQCYXYUGANJWLI-UHFFFAOYSA-N 410.923 3.211 0 40 HGAB O=C(CN1CCN(Cc2ccc3c(c2)CCO3)CC1)Nc1ccc(F)cc1Cl 22805191 GPHIAIQKJONZEP-UHFFFAOYSA-N 403.885 3.170 0 40 HGAB COc1ccc(NC(=O)C(=O)NC[C@@H](c2ccco2)N2CCc3ccccc3C2)cc1 22907394 BQAFHCXVYCIKKA-NRFANRHFSA-N 419.481 3.143 0 40 HGAB Cc1c(-c2ccccc2)c(=O)oc2c3c(ccc12)OCN(CCN1CCOCC1)C3 22918621 KAJRGPGHDUJDHU-UHFFFAOYSA-N 406.482 3.253 0 40 HGAB biogenic O=C(c1ccc(-c2ccccc2Cl)o1)N1CCC[C@H](C(=O)N2CCOCC2)C1 22975766 GQCITOJVJMRMBF-HNNXBMFYSA-N 402.878 3.311 0 40 HGAB Cc1ccccc1CN1CCN(C(=O)CCc2nc(-c3ccc(F)cc3)no2)CC1 23638951 REBRYPULBJDOCP-UHFFFAOYSA-N 408.477 3.461 0 40 HGAB O[C@@H](COCc1cccs1)CN1CCN(c2cccc(C(F)(F)F)c2)CC1 24632093 MZJADLNSIFQRAD-QGZVFWFLSA-N 400.466 3.467 0 40 HGAB Cc1cccc(NC(=O)CN(C)C(=O)c2cccc(NC(=O)[C@@H]3CCCO3)c2)c1C 24742710 OIZSHJZZAPUNHG-FQEVSTJZSA-N 409.486 3.132 0 40 HGAB CCc1c(C(=O)Nc2ccc(N3CCN(C)CC3)nc2)cnn1-c1cccc(Cl)c1 24745065 LCPXFEKLMBLOQO-UHFFFAOYSA-N 424.936 3.487 0 40 HGAB O=c1c2cc(Cl)cc(Cl)c2ncn1C[C@@H](O)COCc1ccc2c(c1)OCO2 24987698 STFQVLFUGNHDBK-CYBMUJFWSA-N 423.252 3.010 0 40 HGAB O=C(NC[C@@H]1COc2ccccc2O1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 30982478 DRJXOOMCRAURGA-QGZVFWFLSA-N 421.419 3.377 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)c2sc3ccccc3c2C)c1 31646321 YCTJEDMFQZDNAP-UHFFFAOYSA-N 418.540 3.285 0 40 HGAB NS(=O)(=O)c1ccc(OCCOc2ccc(C(=O)c3ccc(F)cc3)cc2)cc1 31682166 GELLBLWFLIIKCO-UHFFFAOYSA-N 415.442 3.162 0 40 HGAB CSCC[C@H](NC(=O)[C@@H]1CCCN(c2ncccn2)C1)c1nc2ccccc2[nH]1 32614268 MZFZNYVSMAQKFV-QAPCUYQASA-N 410.547 3.180 0 40 HGAB O=C(Nc1ccccc1Br)c1nc2ccccc2nc1N1CCOCC1 32642952 QSTDTBCYOKRZHT-UHFFFAOYSA-N 413.275 3.481 0 40 HGAB O=C([C@@H]1CCCN(c2cnccn2)C1)N(Cc1ccc2c(c1)OCO2)C1CCCC1 32803731 DCHMUCSQQYXZCF-GOSISDBHSA-N 408.502 3.393 0 40 HGAB Cc1cc(C)c(S(=O)(=O)Nc2ccccc2C(=O)O[C@@H]2C[C@@H](C)OC2=O)c(C)c1 32879578 KZASZQMIJKSXFD-CRAIPNDOSA-N 417.483 3.273 0 40 HGAB O=C(COC(=O)c1cccc(N2C(=O)CCC2=O)c1)Nc1ccccc1C(F)(F)F 36240287 ZZEZCBCSDXPRLP-UHFFFAOYSA-N 420.343 3.154 0 40 HGAB COCCOC(=O)C1=C(C)N(Cc2ccc(C(=O)O)cc2)C(=O)N[C@@H]1c1ccccc1 39996832 OWRSQJNPDXFOPF-HXUWFJFHSA-N 424.453 3.115 0 40 HGAB CC(C)c1ccccc1OC[C@H](O)Cn1cnc2c(cnn2-c2ccc(F)cc2)c1=O 40050622 UVQMNISEDIIFSV-GOSISDBHSA-N 422.460 3.285 0 40 HGAB O=C(NCC12CC3CC(CC(C3)C1)C2)c1cccc(S(=O)(=O)NCC2CC2)c1 43755762 KGNJQPLASVELOG-UHFFFAOYSA-N 402.560 3.321 0 40 HGAB O=C(NCc1ccc(N2CCCCCC2)nc1)C1CCN(C(=O)c2ccoc2)CC1 48261573 PBRYHLXVUVPYSM-UHFFFAOYSA-N 410.518 3.224 0 40 HGAB CC(C)(C)OC(=O)NCCNC(=O)c1nc(Cc2c(Cl)cccc2Cl)no1 49543871 QGTZPQXMJJZDLE-UHFFFAOYSA-N 415.277 3.222 0 40 HGAB CCOc1ccc(NC(=O)Cn2ncn3nc(-c4ccc(C)cc4C)cc3c2=O)cc1 51316979 ILCCIZKSHPPAOY-UHFFFAOYSA-N 417.469 3.212 0 40 HGAB Cc1cccc(C)c1NC(=O)CSc1ncnc2nc(N3CCOCC3)sc12 57506939 JARUZCWDSIHJJH-UHFFFAOYSA-N 415.544 3.271 0 40 HGAB Cc1cn2cc(NC(=O)CCn3cnc4sc5c(c4c3=O)CCCC5)ccc2n1 58179012 OUXVKFLIQCDXHN-UHFFFAOYSA-N 407.499 3.322 0 40 HGAB COc1cc2oc(=O)cc(C)c2cc1CCC(=O)Nc1nnc([C@H]2CCCO2)s1 70666254 XAHWUAYRHOCRAD-CQSZACIVSA-N 415.471 3.384 0 40 HGAB biogenic COc1cccc(NC(=O)[C@H](C)NC(=O)N2CCN(c3ccc(Cl)cc3)CC2)c1 72405312 ZAYMHCVXARRPSJ-HNNXBMFYSA-N 416.909 3.207 0 40 HGAB O=C(NC[C@H]1OC[C@@H](N(Cc2ccccc2)Cc2ccccc2)[C@@H]1O)C1CCCC1 77263656 QHTSOTXAVYYMHH-SMIHKQSGSA-N 408.542 3.124 0 40 HGAB biogenic,in-vitro C[C@@H]1Oc2ccccc2N(CCC(=O)N(Cc2cccs2)C[C@@H]2CCCO2)C1=O 78958529 RDHXDSHHVVTDDH-IRXDYDNUSA-N 414.527 3.460 0 40 HGAB COc1ccc(-c2nc(CN3CCNC(=O)C[C@@H]3C(F)(F)F)cs2)c(OC)c1 89434885 YSAMFCAWWICRSE-OAHLLOKOSA-N 415.437 3.080 0 40 HGAB CN1CC(=O)N(c2cccc(F)c2)C[C@]12CCN(C(=O)c1cccc(Cl)c1)C2 96050266 KGJYBDRJDDWZAG-OAQYLSRUSA-N 401.869 3.042 0 40 HGAB CCOc1cc(C)ccc1OCC(=O)N1[C@H]2CC[C@H]1c1cnc3cc(C)nn3c1C2 100143084 QYWUYLMCKMDRAK-WMZOPIPTSA-N 406.486 3.412 0 40 HGAB CCc1ccc(N(CN2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@@H]3C2=O)C(=O)C(F)(F)F)cc1 100395428 RFOFHNPTHLVBIS-SUMCQTLJSA-N 418.415 3.155 0 40 HGAB O=Cc1ccccc1OC(=O)c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@H]3C2=O)c1 100397780 RFLWIOWPGUENSI-ZQMBKUMFSA-N 413.429 3.276 0 40 HGAB CCCn1[nH]cc/c1=N\C(=O)CN(Cc1nc(C2CCCCCC2)no1)C1CC1 101814758 KZSKXYKSCRFYAB-PTGBLXJZSA-N 400.527 3.139 0 40 HGAB O=C(CCS(=O)(=O)c1ccccc1)Nc1ccsc1-c1nc(C2CC2)no1 206667645 ADRWJHNBAMPSFP-UHFFFAOYSA-N 403.485 3.478 0 40 HGAB Cc1cccc(N([C@H](C)C(=O)NCc2cccc(OC(C)C)c2)S(C)(=O)=O)c1 220139211 YUXJPECGEDTZFE-QGZVFWFLSA-N 404.532 3.253 0 40 HGAB CC[C@H](C(=O)Nc1cccc(C(=O)OC)c1)N(c1cc(C)cc(C)c1)S(C)(=O)=O 220574266 WFTSLCAZKXWEEH-LJQANCHMSA-N 418.515 3.273 0 40 HGAB Cc1ccc(-c2nnc(NC(=O)c3ccc(C)c(NS(C)(=O)=O)c3)s2)cc1 223380361 SPVGLJQDEOELAE-UHFFFAOYSA-N 402.501 3.446 0 40 HGAB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCCCN(C)C)c(Cl)c2)cc1 224242261 JISAIVNULKBCKH-UHFFFAOYSA-N 423.966 3.155 0 40 HGAB CCN(CC)C(=O)c1ccc(OC)c(CN(C)S(=O)(=O)c2ccc(C)cc2)c1 224782596 OHZVXDHBJDCMQF-UHFFFAOYSA-N 404.532 3.306 0 40 HGAB CCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)COc1ccccc1F 225037850 DBLOTYYFFRRCQC-MRXNPFEDSA-N 402.466 3.157 0 40 HGAB OC1(c2csc(CN3CCc4ccccc4C3)n2)CCN(C2CCOCC2)CC1 225474039 DVCTZCDGMGWBQA-UHFFFAOYSA-N 413.587 3.164 0 40 HGAB biogenic,in-vitro CC1CCN(c2cc(N3CCCC3)nc(NC(=S)NCc3ccco3)n2)CC1 225911260 RCLBRYCYEHERMY-UHFFFAOYSA-N 400.552 3.393 0 40 HGAB COc1cccc([C@@H](c2ccccc2)N2[C@H]3CC[C@H]2CN(S(C)(=O)=O)CC3)c1 245227277 JHQCDOQATLUCIV-JAXLGGSGSA-N 400.544 3.283 0 40 HGAB CN(Cc1ccccc1)C(=O)c1c[nH]nc1C1CCN(C(=O)C[C@@H]2CCCCO2)CC1 257212603 CEEFZIPGFJRDSB-FQEVSTJZSA-N 424.545 3.347 0 40 HGAB Cc1cccnc1Nc1cccc(C2CCN(CC(=O)NCc3ccccn3)CC2)n1 257212985 CFRNRKSOITVOGM-UHFFFAOYSA-N 416.529 3.419 0 40 HGAB O=C(c1ccco1)N1CCN(CC2CC2)[C@H](c2cn3c(N4CCCC4)cccc3n2)C1 306127165 FQFMFIQMAGDJSV-FQEVSTJZSA-N 419.529 3.437 0 40 HGAB CC(C)n1ccc2c1CN(C(=O)c1ccn(C)n1)Cc1cn(Cc3ccccn3)nc1-2 306140250 UNZQRTREESBQSY-UHFFFAOYSA-N 415.501 3.265 0 40 HGAB O=C1c2cccn2[C@H]2CN(Cc3ccc4c(c3)OCO4)C[C@H]2N1Cc1cccs1 306142179 WSCAPGRWBMQPAT-RBUKOAKNSA-N 407.495 3.360 0 40 HGAB COc1cc(C2=N/C(=C/c3ccc(Br)o3)C(=O)O2)cc(OC)c1OC 408840076 XKTGVQKAVBKPMA-DHZHZOJOSA-N 408.204 3.412 0 40 HGAB COc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)c(Br)cc1O 409098762 PFDPOJBCGPUOEE-MKMNVTDBSA-N 421.222 3.395 0 40 HGAB Cc1ccc(C(=O)N[C@@H](C)c2nnc(SCC(=O)NC3CCCCC3)n2C)cc1 409127911 KGTVWHDHEQKWOS-HNNXBMFYSA-N 415.563 3.156 0 40 HGAB O=C(/C=C/c1ccc(CNS(=O)(=O)c2ccccc2)o1)N1CCc2ccccc2C1 409191093 ZTGLSOSMXWPFBD-OUKQBFOZSA-N 422.506 3.356 0 40 HGAB O=C(CSc1nnc(CCc2ccccc2)n1-c1ccccc1)NC[C@@H]1CCCO1 409211705 OFDIEPLOZCUJPR-FQEVSTJZSA-N 422.554 3.440 0 40 HGAB Cc1cc(C)cc(C(=O)NCC(=O)N2CCC(c3nc(-c4ccccc4)no3)CC2)c1 590965405 CPYJMRLKXFSGHV-UHFFFAOYSA-N 418.497 3.489 0 40 HGAB CCc1nnc(NS(=O)(=O)c2ccc(N[C@H]3OC(=O)c4ccccc43)cc2)s1 796165 XUCVWNRMJBVGME-INIZCTEOSA-N 416.484 3.182 0 40 HGAB Cc1c(C)c2ccc(O[C@@H](C)C(=O)N[C@H](C(=O)O)c3ccccc3)c(C)c2oc1=O 2156126 PXQIAAFAJDPCNT-KXBFYZLASA-N 409.438 3.428 0 40 HGAB biogenic Cc1ccc(S(=O)(=O)N2CN(C[C@H]3CCCO3)c3nc4ccccc4nc32)cc1C 2401023 ITLGJAVOYNDYEY-QGZVFWFLSA-N 424.526 3.398 0 40 HGAB Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2)nc(C)n1 3135842 OBRRFIAOYWXTNI-UHFFFAOYSA-N 400.435 3.286 0 40 HGAB Cc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)Nc2cc(C)on2)cc1 3192405 HVCNSPFFCDOXEV-IBGZPJMESA-N 411.483 3.046 0 40 HGAB COc1cccc(-n2c(SCC(=O)N3CCCCC3)nc3ccccc3c2=O)c1 3228179 BBUCTKJARGOTSV-UHFFFAOYSA-N 409.511 3.499 0 40 HGAB C[C@@]1(CCc2ccccc2)NC(=O)N(CC(=O)Nc2ccc(OC(F)F)cc2)C1=O 3299835 MPWSHWYAIVODFI-NRFANRHFSA-N 417.412 3.170 0 40 HGAB CC(C)OC(=O)[C@H]1[C@@H](/C=C/c2ccccc2)[C@@H](C(=O)OC(C)C)C(=O)C[C@]1(C)O 4039190 WAWRHMOJAIJNCG-OLOPLCMTSA-N 402.487 3.175 0 40 HGAB COc1ncc(NC(=O)CCC(=O)O[C@@H](C)C(Cl)=C(Cl)Cl)c(OC)n1 4491647 CQONLQLBQYMUQC-ZETCQYMHSA-N 412.657 3.030 0 40 HGAB CC1CCN(C(=O)CSc2nc3ccccc3n2CC(=O)N2CCCCC2)CC1 4859169 LPJHRAPDHLDJFL-UHFFFAOYSA-N 414.575 3.399 0 40 HGAB CCCc1cc(=O)oc2cc(OCC(=O)NCCCn3ccnc3)c(Cl)cc12 5207805 IDLVEDFSLJFJNN-UHFFFAOYSA-N 403.866 3.181 0 40 HGAB Cc1cc(NC(=O)CSCC(=O)O[C@@H](C)C(=O)c2cc(C)c(C)cc2C)no1 5786795 MXWFUEFVOUTXFZ-HNNXBMFYSA-N 404.488 3.395 0 40 HGAB C[C@H](NC(=O)CCCCC(=O)N[C@H](C)[C@H](O)c1ccccc1)[C@H](O)c1ccccc1 6468905 QMYJLCSSUSXHJC-VBVDBJQASA-N 412.530 3.023 0 40 HGAB C[C@@H](NC(=O)CCC(=O)N1CCC(c2ccccc2)=N1)c1ccc2c(c1)OCCO2 6610091 PMMHCOLJFRRFHZ-MRXNPFEDSA-N 407.470 3.052 0 40 HGAB CC(C)=CCOc1ccc2c(C)c(CC(=O)N3CCC[C@H]3C(=O)O)c(=O)oc2c1C 6624213 HBICPBGXMYDRNB-SFHVURJKSA-N 413.470 3.373 0 40 HGAB biogenic CCOc1ccc([C@H](C)NC(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1OCC 7404982 QSWFBNJXSGZCBK-SZMVWBNQSA-N 416.518 3.227 0 40 HGAB COc1ccc(CN(C)Cc2cc(=O)n3cc(Br)ccc3n2)c(OC)c1 7973760 LLIIEXLQNSDYJS-UHFFFAOYSA-N 418.291 3.106 0 40 HGAB COC(=O)COc1ccc(/C=C2\SC(=O)N(Cc3ccccc3C#N)C2=O)cc1 8092067 ICZKTZXOJTZHTR-ZDLGFXPLSA-N 408.435 3.347 0 40 HGAB C[C@H](OC(=O)COc1cccc2c1OC(C)(C)C2)C(=O)Nc1ccc2c(c1)OCO2 8193732 JNSRNDRWDUFZMR-ZDUSSCGKSA-N 413.426 3.078 0 40 HGAB Cc1ccc(Cn2c(=O)c3c(nc4n3CCN4c3ccc(Cl)cc3)n(C)c2=O)cc1 9406698 MQNYFLDPNVMNAZ-UHFFFAOYSA-N 421.888 3.059 0 40 HGAB O=C1CN(C(=O)NCCCC(=O)N[C@@H]2CCCc3ccccc32)c2ccccc2N1 9418709 YZNUUXFQTOWICD-GOSISDBHSA-N 406.486 3.129 0 40 HGAB COc1ccc(Br)cc1/C=C/C(=O)OCN1C(=O)c2ccccc2C1=O 9544699 XPUPVAUCMAIORG-RMKNXTFCSA-N 416.227 3.268 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3c(F)cccc3F)C2)cc1 9974467 QNMPMFNLOKWMFU-CYBMUJFWSA-N 410.442 3.013 0 40 HGAB CC(C)S(=O)(=O)c1cccc(C(=O)Nc2nc3cc4c(cc3s2)OCO4)c1 10253489 YIJDWQRTZGMNRA-UHFFFAOYSA-N 404.469 3.459 0 40 HGAB CN(C)[C@H](CNC(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O)Cc1ccccc1 11603669 VRYDKPWOVSCXOR-QFBILLFUSA-N 417.962 3.432 0 40 HGAB CC(=O)NC12C[C@H]3C[C@@H](C1)CC(C(=O)O[C@@H](C)C(=O)Nc1ccc(Cl)cn1)(C3)C2 12795081 BMPGJLMZQCBWMU-PHSICCRMSA-N 419.909 3.080 0 40 HGAB CCOC(=O)c1c(C)[nH]c(C(=O)NC[C@@H](c2cccc(OC)c2)N2CCCC2)c1C 12932468 VPHBIILAPDLPII-IBGZPJMESA-N 413.518 3.384 0 40 HGAB O=C(CCn1c(=O)oc2ccccc21)Nc1nc2ccccc2nc1N1CCCC1 12980524 DOZMTPJSUAVKIY-UHFFFAOYSA-N 403.442 3.167 0 40 HGAB Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3O)CC2)c(C)c1 13005667 AETYCYUERBWOGH-UHFFFAOYSA-N 402.516 3.357 0 40 HGAB COC(=O)CNS(=O)(=O)c1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1 15173641 RGCNGIGKHLJRJV-UHFFFAOYSA-N 424.478 3.057 0 40 HGAB C[C@H](C(=O)Nc1ccc(N(C)C)cc1)N1CCC(C(=O)Nc2ccccc2O)CC1 15507426 SFLASZMHUQKMSX-MRXNPFEDSA-N 410.518 3.136 0 40 HGAB CCOC(=O)[C@H]1CCCN(C(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)C1 15721672 SASYQQHGWYFKIA-ZDUSSCGKSA-N 406.280 3.255 0 40 HGAB Cc1ccc(S(=O)(=O)CC(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)cc1 17043588 VNJLUQNTSMKISP-UHFFFAOYSA-N 416.480 3.260 0 40 HGAB O=S(=O)(Nc1nc2ccccc2nc1NC[C@@H]1CCCO1)c1ccc(F)cc1 17208975 BJKHFYAHOCZAGG-AWEZNQCLSA-N 402.451 3.161 0 40 HGAB Cc1ccc(C2=NN(C(=O)CN3C(=O)[C@H]4CC=CC[C@H]4C3=O)[C@@H](c3ccco3)C2)cc1 18024840 FDMNLQOYEUXJEF-WSTZPKSXSA-N 417.465 3.217 0 40 HGAB CCN(Cc1ccc(OC)c(OC)c1)C(=O)COC(=O)c1cc(O)nc2ccccc12 18240898 PCRXGZXPVLGZEY-UHFFFAOYSA-N 424.453 3.163 0 40 HGAB CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ccc(NC(=O)C3CC3)cc2)c1 18836697 HSVFOLGQKFOELU-UHFFFAOYSA-N 415.515 3.364 0 40 HGAB Cc1cc2n(n1)[C@@H](C(F)F)C[C@@H](C1CCN(C(=O)[C@@H](C)N3CCCCC3)CC1)N2 19128361 PEKWZKUYLHYDLI-BPQIPLTHSA-N 409.525 3.295 0 40 HGAB COc1cccc(C(=O)N2CCC[C@@H]2c2n[nH]cc2-c2ccnc(N3CCCC3)n2)c1 19564461 NMVNTZVPBUKXJR-HXUWFJFHSA-N 418.501 3.453 0 40 HGAB COc1ccc([C@@H](CN(C)C(=O)Cc2ccc3c(c2)CCC3)N2CCOCC2)cc1 19585957 LXSULZWOJYOFGS-XMMPIXPASA-N 408.542 3.258 0 40 HGAB COc1cccc(-c2cnc(N(C)C)nc2[C@@H]2CCCN2C(=O)c2cn(C)nc2C)c1 19689504 OHIVHNFEHPJFMI-FQEVSTJZSA-N 420.517 3.237 0 40 HGAB Cc1n[nH]cc1C(=O)N1CCC[C@@H](c2nc(N(C)C)ncc2-c2ccc(F)cc2)C1 19694782 ZDRZIOQYOLPPNW-MRXNPFEDSA-N 408.481 3.400 0 40 HGAB Cc1n[nH]cc1C(=O)N1CCC[C@H](c2nc(N(C)C)ncc2-c2cccc(F)c2)C1 19695045 JANCETXKFVOPBJ-INIZCTEOSA-N 408.481 3.400 0 40 HGAB Cc1cn2c(=O)c(C(=O)Nc3ccc(OCCN4CCCCC4)cc3)cnc2s1 19717091 FFXAGTVBIOMQMU-UHFFFAOYSA-N 412.515 3.181 0 40 HGAB COc1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccc(F)cc3)C2)c1 19862436 KYESHCNXDUFBDK-MRXNPFEDSA-N 406.479 3.015 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)Nc2cc(F)ccc2C)c(C)c1 20022757 YDJREWZDYBRQQP-UHFFFAOYSA-N 408.495 3.491 0 40 HGAB CN(C)S(=O)(=O)N(CC(=O)Nc1ccccc1C(F)(F)F)c1ccccc1F 20457070 OMIPSFMXCKXUGN-UHFFFAOYSA-N 419.400 3.096 0 40 HGAB COc1ccc(C)cc1N(CC(=O)N[C@@H](C)c1ccc(C)cc1C)S(C)(=O)=O 20458373 SRWCATSDFWQPCR-KRWDZBQOSA-N 404.532 3.264 0 40 HGAB CCOC(=O)[C@@](NC(=O)c1ccccc1OCC)(Nc1ccccn1)C(F)(F)F 20792305 OZQIYYDYCHPQEH-SFHVURJKSA-N 411.380 3.144 0 40 HGAB CC(=O)NC12C[C@H]3C[C@@H](C1)CC(C(=O)OCC(=O)N[C@@H](C)c1ccc(F)cc1)(C3)C2 21178893 WLEAFJWIUTUUNB-BXUWQIASSA-N 416.493 3.021 0 40 HGAB CCS(=O)(=O)N(C)c1cc(OC)c(OC)cc1C(=O)Nc1cccc(Cl)c1 22252666 NXZLRGNICNPOBE-UHFFFAOYSA-N 412.895 3.395 0 40 HGAB CN1CCN([C@@H](CNS(=O)(=O)c2ccc3ccccc3c2)c2ccsc2)CC1 22767119 CMQRJUUBADRIGU-NRFANRHFSA-N 415.584 3.168 0 40 HGAB O=S(=O)(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)c1ccc2c(c1)CCCC2 23108143 OYSIFRQUJAIJJY-QFIPXVFZSA-N 418.534 3.056 0 40 HGAB Cc1nn(-c2ccccc2)c(C)c1[C@H]1C(=O)NCCN1CCOc1ccccc1F 24214689 MCWDUBFBLAJQLH-QFIPXVFZSA-N 408.477 3.180 0 40 HGAB O=C(NCc1ccc(NC(=O)C2CC2)cc1)NC1CCN(Cc2ccccc2)CC1 24773927 SAGRYHCJYQGAHJ-UHFFFAOYSA-N 406.530 3.499 0 40 HGAB CC[C@H](C)[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N[C@H](C)CCCC(C)C 25345047 LNYSXUYADKBXPU-FCEWJHQRSA-N 407.580 3.471 0 40 HGAB CCCC[C@H](CC)CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(OC)cc2)C1 29708424 XQKBUAMBBOHLHX-ZWKOTPCHSA-N 410.580 3.429 0 40 HGAB C[C@H](NC(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1)c1ccc(Br)cc1 31602109 UCBHEDVYBARWMZ-ZFWWWQNUSA-N 402.292 3.070 0 40 HGAB CCOC(=O)c1[nH]c2ccc3nc[nH]c3c2c1CCN1C(=O)c2ccccc2C1=O 32109475 IMJRYQLVEIWQIH-UHFFFAOYSA-N 402.410 3.060 0 40 HGAB biogenic CS(=O)(=O)N1CCCc2cc(-c3csc(-c4cccc(C(N)=O)c4)n3)ccc21 32935921 ONFJMZWCLKKASB-UHFFFAOYSA-N 413.524 3.288 0 40 HGAB O=C(c1ccccc1OCCOc1ccccc1)N1CCN(C[C@@H]2CCCO2)CC1 32987921 FKJYNPOCOFATIL-NRFANRHFSA-N 410.514 3.081 0 40 HGAB COc1ccc(Br)cc1S(=O)(=O)Nc1ccc(F)cc1C(=O)O 33047698 ZCORDIIJHDIHAF-UHFFFAOYSA-N 404.213 3.096 0 40 HGAB Cc1nn(-c2ccc3nncn3n2)c2c1[C@H](c1ccc(OCC(C)C)cc1)CC(=O)N2 33271340 MHUDFCPMOKKHED-KRWDZBQOSA-N 417.473 3.127 0 40 HGAB COc1cccc(/C=C2\SC(=O)N(CC(=O)N3CCCCCC3)C2=O)c1OC 33649900 MFLPPEFEVRCJLO-VBKFSLOCSA-N 404.488 3.143 0 40 HGAB CCn1ccc(-c2cc(C(=O)Nc3cnn(CC(F)F)c3)c3c(C)noc3n2)n1 36617977 HAGRCKZOHBNSMF-UHFFFAOYSA-N 401.377 3.129 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC(c3nc(-c4cccs4)no3)CC2)cc1 38651915 JRIJGLIDZOWVBM-UHFFFAOYSA-N 405.501 3.375 0 40 HGAB O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1cccnc1-n1cncn1 40074658 JSBSDEPYAUHFGT-UWVGGRQHSA-N 407.318 3.302 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)COC1CCCC1 40140550 JVEWHPRTEUDROO-UHFFFAOYSA-N 410.536 3.158 0 40 HGAB COC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)c(C)c1 40151493 UWOCZUIMBJLEEK-UHFFFAOYSA-N 412.305 3.121 0 40 HGAB O=S(=O)(c1ccc2c(c1)OCCO2)N1CCCN(Cc2ccc(Cl)cc2)CC1 48364497 SQTKDRYIMUTELT-UHFFFAOYSA-N 422.934 3.008 0 40 HGAB COC(=O)c1cc(NC(=O)c2ccn(-c3cccc(Cl)c3)n2)cc(C(=O)OC)c1 57400904 ZWLJYSAGJRVOQP-UHFFFAOYSA-N 413.817 3.351 0 40 HGAB Cc1ccc(C)c2[nH]c(=O)c(CN(CCCO)Cc3nnnn3C3CCCCC3)cc12 57640324 XNDOPJPEROMNCZ-UHFFFAOYSA-N 424.549 3.021 0 40 HGAB COc1ccc(N([C@@H]2CCS(=O)(=O)C2)S(=O)(=O)c2c(C)cc(C)cc2C)cc1 58023686 HCZNNPGOFDOCFY-GOSISDBHSA-N 423.556 3.003 0 40 HGAB Cc1cc(OC[C@@H](O)CN2C(=O)C[C@]3(CCSC3)C2=O)c(C(C)C)cc1Cl 63901532 QMECXDIEICFUGZ-XOBRGWDASA-N 411.951 3.394 0 40 HGAB NC(=O)[C@@H]1Cc2ccccc2N1C(=O)c1csc(COc2ccc(Cl)cc2)n1 65513124 XRUHVBUULZCWSG-KRWDZBQOSA-N 413.886 3.432 0 40 HGAB CCn1c(COc2ccccc2OC)nnc1SCC(=O)Nc1nccs1 72191680 PGVIYQOEHZRAFO-UHFFFAOYSA-N 405.505 3.073 0 40 HGAB COCCn1cc(C(=O)N2CCc3[nH]c4ccccc4c3C2)c2ccccc2c1=O 72324461 NHCYZOBWXYQIRY-UHFFFAOYSA-N 401.466 3.328 0 40 HGAB biogenic O=C(C1CCCC1)N1CCC[C@@H](c2nc(N3CCOCC3)ncc2-c2cccnc2)C1 72348012 XUUNEIOKLUCXOW-HXUWFJFHSA-N 421.545 3.271 0 40 HGAB COc1ccc(CC(=O)N2CCN(c3ccccc3)C[C@@H](Cc3cnccn3)C2)cc1 72355168 QFZUQTQWMLLLGQ-OAQYLSRUSA-N 416.525 3.235 0 40 HGAB CCn1ccnc1[C@@H](NC[C@@H]1CCOC1)c1ccc(I)cc1 95452951 MMYRFVCGRLJOSE-BBRMVZONSA-N 411.287 3.223 0 40 HGAB COC(=O)C[C@H](c1ccc(OCCn2cccn2)cc1)c1c(O)ccc2nsnc12 96230864 SXLUIFHELSNFJV-MRXNPFEDSA-N 424.482 3.367 0 40 HGAB CCCc1c(C(=O)NCc2cccc(OCCCOC)c2)[nH]c(C)c1C(=O)OC 97020885 TXMKKXOWODFASL-UHFFFAOYSA-N 402.491 3.408 0 40 HGAB COc1ccc(Cl)cc1N1C(=O)C[C@@H](c2c(C)nn(-c3ccccc3)c2N)C1=O 98086141 ABQMGLRKEBCMDM-HNNXBMFYSA-N 410.861 3.472 0 40 HGAB COc1cc2c(cc1OC)CN([C@H]1CC(=O)N(c3cc(Cl)ccc3C)C1=O)CC2 102332210 HDEFXVKFDTZBNY-SFHVURJKSA-N 414.889 3.356 0 40 HGAB COc1cccc(N(CCCC(=O)N[C@H](C)c2ccc(F)cc2)S(C)(=O)=O)c1 113967292 SPYYXNKSAHFCQQ-OAHLLOKOSA-N 408.495 3.258 0 40 HGAB CCOC(=O)c1cc(NC(=O)c2cccc(N(C)S(C)(=O)=O)c2)ccc1Cl 222421564 FKNPLAXMKNBTKE-UHFFFAOYSA-N 410.879 3.165 0 40 HGAB CCOc1ccc(CCCNC(=O)c2ccc(N(C)S(C)(=O)=O)c(C)c2)cc1 222483767 SWOLIGYDRGIZBD-UHFFFAOYSA-N 404.532 3.152 0 40 HGAB Cc1ccc(C(=O)NCCSc2ccccc2)cc1N1CCCCS1(=O)=O 222565675 WXQRYRVLMKGJIA-UHFFFAOYSA-N 404.557 3.447 0 40 HGAB CC[C@@H](NC(=O)CN(Cc1ccccc1F)S(C)(=O)=O)c1ccc(C)c(C)c1 222837822 JUBPKXCLMTVIOR-HXUWFJFHSA-N 406.523 3.472 0 40 HGAB CNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)COc1cccc2ccccc12 222859439 AZXAUQLDODMEIE-KRWDZBQOSA-N 406.482 3.391 0 40 HGAB CCn1c(=O)oc2cc(S(=O)(=O)Nc3cc(OC)ccc3OC)c(Cl)cc21 223364586 GBSCSOZTQXRHFL-UHFFFAOYSA-N 412.851 3.086 0 40 HGAB CCS(=O)(=O)N1CCC(C(=O)N[C@H](C)c2cc(C(C)C)c(OC)cc2C)CC1 223368492 OHHPGHCPKFYDFB-MRXNPFEDSA-N 410.580 3.366 0 40 HGAB O=C(C1CC1)N1CCc2cc(S(=O)(=O)NCCCc3ccc(F)cc3)ccc21 223885815 ZQJJREQYVTXOBY-UHFFFAOYSA-N 402.491 3.036 0 40 HGAB COc1ccc(S(=O)(=O)N(C)Cc2ccccc2Cl)cc1N1CCCC1=O 223888043 PMPXRHKNTPWGPD-UHFFFAOYSA-N 408.907 3.296 0 40 HGAB CCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(Cl)cc1 224008586 WIMJKMHHXSGYQP-HNNXBMFYSA-N 404.894 3.281 0 40 HGAB O=C(COc1ccc(Cl)cc1)Nc1cnc(N2CCN(c3ccccc3)CC2)nc1 224259292 WPKXXOHYLSIQGY-UHFFFAOYSA-N 423.904 3.474 0 40 HGAB C[C@@H](C(=O)Nc1ccc(N2CCCCC2)cc1)N(c1ccccc1)S(C)(=O)=O 224947988 GXJBURNHHILGAI-KRWDZBQOSA-N 401.532 3.470 0 40 HGAB CSc1nnc(NC(=O)[C@H](C)N(c2ccc(C)c(Cl)c2)S(C)(=O)=O)s1 225007662 BDJFBGKNTRZCDH-VIFPVBQESA-N 420.969 3.015 0 40 HGAB COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2C)cc1 225220682 YHHGSCPVOQKFQA-SFTDATJTSA-N 421.526 3.182 0 40 HGAB COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2C)cc1 225220765 YHHGSCPVOQKFQA-LEWJYISDSA-N 421.526 3.182 0 40 HGAB Cn1nc(-c2ccc(F)cc2)cc1C(=O)NCC1CCN([C@H]2CCSC2)CC1 225571944 YFRDRNNBRAXUBC-SFHVURJKSA-N 402.539 3.174 0 40 HGAB CC[C@H]1CCCCN1CCCNS(=O)(=O)c1ccc2c(c1)sc(=O)n2CC 225696475 SZPFTXNSSPBNIJ-HNNXBMFYSA-N 411.593 3.016 0 40 HGAB COc1ccc([C@@H]2[C@H]3CCCC[C@@]3(O)CCN2CC(=O)Nc2cn(C)nc2C)cc1 257203162 AOXHDTAUYHAQKS-UEVCKROQSA-N 412.534 3.044 0 40 HGAB CC(C)(C)c1ccc(CN2CCCC[C@]3(C)NC(=O)CCC[C@H]23)c(OCC(N)=O)c1 257208489 BMJSPTQOZCFZDQ-RDPSFJRHSA-N 415.578 3.262 0 40 HGAB CC[C@H]1CCCCN1CCCNC(=O)c1cccc(N2CCCCS2(=O)=O)c1 260561282 BJPFERNUBDOHBV-IBGZPJMESA-N 407.580 3.001 0 40 HGAB CCOc1ccc(NC(=O)C(=O)Nn2c(CCC(=O)O)ccc2-c2ccccc2)cc1 408561527 JFSHLECQCYEORR-UHFFFAOYSA-N 421.453 3.280 0 40 HGAB CS(=O)(=O)N(CC(=O)NC1CCCCCC1)Cc1ccc(Br)cc1 408609160 LWGLOYZAMJJZCP-UHFFFAOYSA-N 417.369 3.050 0 40 HGAB Cc1nnc(NC(=O)CCC(=O)OCC(=O)Nc2cccc(Cl)c2Cl)s1 408684366 JTLNUIBOQWNXRJ-UHFFFAOYSA-N 417.274 3.054 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)NCCc1ccccc1 408703873 UVITUHVQJNAESI-UHFFFAOYSA-N 400.544 3.388 0 40 HGAB CC(C)CCNC(=O)COc1ccc(S(=O)(=O)NC2CCCCC2)cc1Cl 409350213 RETPXRMCHFQOHV-UHFFFAOYSA-N 416.971 3.492 0 40 HGAB CCCCNC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1cc(C)ccc1OC 409389063 LPJRYWYYGWPFPW-UHFFFAOYSA-N 404.532 3.424 0 40 HGAB Cc1cc(C)cc(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@@]4(C(=O)Nc5ccc(C)cc54)[C@H]3C2=O)c1 504491640 QPVPQRVSCZMANI-UWHHFBIGSA-N 415.493 3.043 0 40 HGAB biogenic Cc1sc(-n2cnnn2)c(C(=O)Nc2ccc3nc(C(F)(F)F)[nH]c3c2)c1C 524734215 JKPIOVFWZAFGPS-UHFFFAOYSA-N 407.381 3.488 0 40 HGAB O=C(Nc1cccc2c1CN(c1ccccn1)C2)N1CCC[C@H](Cn2ccnn2)C1 535326283 KAWNUWUMYSTVFI-KRWDZBQOSA-N 403.490 3.137 0 40 HGAB COC(=O)c1ccc([C@H]2C3=C(CN(C(C)=O)C3=O)Nc3cccc4[nH]cc2c34)cc1 1547138497 BHHFWOHJIDVLBN-LJQANCHMSA-N 401.422 3.155 0 40 HGAB biogenic COc1ccccc1-c1ccc(=O)n(C2CN(C(=O)c3cn(C)c4ccccc34)C2)n1 1888987903 YBYBNIMDQYXACY-UHFFFAOYSA-N 414.465 3.108 0 40 HGAB O=C1c2sc3nc(=O)c(-c4cccs4)nn3c2C(=O)N1c1ccccc1Cl 954382 MCSIIGGVUUVOCP-UHFFFAOYSA-N 414.855 3.334 0 40 HGAB CN1C(=O)c2ccc(NCCCCCCN3C(=O)c4ccccc4C3=O)cc2C1=O 2313295 ZCQFCHBIOXJVRI-UHFFFAOYSA-N 405.454 3.181 0 40 HGAB Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3F)cc2)nc(C)n1 2738795 LVRXGBMYCVRSEX-UHFFFAOYSA-N 400.435 3.286 0 40 HGAB CN(C)S(=O)(=O)c1cccc(C(=O)OCc2csc(Nc3ccccc3)n2)c1 3336573 YRHBVLRFUUIAEZ-UHFFFAOYSA-N 417.512 3.494 0 40 HGAB CCCOc1ccc(C(=O)N(Cc2ccc(OC)cc2)[C@H]2CCS(=O)(=O)C2)cc1 4182949 GIWQMOMCFXRJRX-IBGZPJMESA-N 417.527 3.314 0 40 HGAB CCOC(=O)c1csc(N2N=C(c3ccc(OC)cc3)C[C@]2(O)C(F)(F)F)n1 4478281 BMUWOTCQDWKACE-INIZCTEOSA-N 415.393 3.194 0 40 HGAB CCC(C)(C)NC(=O)[C@H](c1ccc(OC)cc1)N(C(=O)c1csnn1)C1CC1 4964994 JXSWFRBQRYMSDS-KRWDZBQOSA-N 402.520 3.197 0 40 HGAB COc1ccc(S(=O)(=O)NCCc2c(C)nn(C)c2Oc2ccccc2)cc1 5724196 RRMQFJCZPCAPCF-UHFFFAOYSA-N 401.488 3.050 0 40 HGAB COc1ccc(NS(=O)(=O)c2ccc3oc(S[C@@H]4CCOC4=O)nc3c2)cc1 6132638 NOWOOBYETVYTST-MRXNPFEDSA-N 420.468 3.045 0 40 HGAB COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3ON2c2ccccc2)ccc1O 6576893 RSIDXQXEVZMSGK-BHDDXSALSA-N 416.433 3.452 0 40 HGAB O=C(CCNC(=O)c1ccco1)Nc1nnc(SCc2ccc(F)cc2)s1 6639198 CHMYNYJJUHPOJM-UHFFFAOYSA-N 406.464 3.321 0 40 HGAB C[C@@H]1CCCN(c2nc3c(S(=O)(=O)c4ccccc4)nnn3c3ccccc23)C1 6804942 IPXTUERJIXUFIF-OAHLLOKOSA-N 407.499 3.347 0 40 HGAB CCCN(CCC)S(=O)(=O)c1ccc(NC(=O)c2ccccc2C(=O)O)cc1 7262251 FUXXXYVDKKEBFT-UHFFFAOYSA-N 404.488 3.448 0 40 HGAB CCc1nnc(S/C(=C\c2cc(Br)c(OC)cc2OC)C(=O)O)[nH]1 7342450 BXLCAECCDRCIRU-SDQBBNPISA-N 414.281 3.365 0 40 HGAB CC(=O)NCc1ccc(C(=O)CSc2nnc(-c3cccnc3)n2C2CC2)cc1 7799600 SCOMZQXZBRBRMA-UHFFFAOYSA-N 407.499 3.286 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NCC(=O)Nc1ccccc1F 7974113 RWLDGZGFIVPZKK-UHFFFAOYSA-N 405.495 3.359 0 40 HGAB COc1ccccc1N1CCN(C(=O)c2csc(NC(=O)c3ccccc3)n2)CC1 8806799 CVZYHQBSYABMFV-UHFFFAOYSA-N 422.510 3.366 0 40 HGAB C[C@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O)c1ccc2c(c1)CCCC2 9058095 BFSUAXQRAAFZME-OWJWWREXSA-N 423.488 3.349 0 40 HGAB O=C(NCCc1c[nH]c2ccc(Cl)cc12)C1CCN(c2ncnc3[nH]cnc23)CC1 9059860 FHJVEDHRMQPXGI-UHFFFAOYSA-N 423.908 3.063 0 40 HGAB Cn1c(SCCCn2c(=O)[nH]c3ccccc32)nnc1[C@H]1COc2ccccc2O1 9171359 VKJZJLZKKCCDMY-GOSISDBHSA-N 423.498 3.153 0 40 HGAB COc1ccc(NC(=O)COCC(=O)Nc2cccc(C(F)(F)F)c2)c(OC)c1 9355350 FKDGUTZRSPUXKN-UHFFFAOYSA-N 412.364 3.316 0 40 HGAB Cc1ccc(Cn2c(=O)c3c(nc4n3C[C@@H](C)CN4C3CCCCC3)n(C)c2=O)cc1 9519146 KSYNAYCOTMOGKP-KRWDZBQOSA-N 421.545 3.042 0 40 HGAB COc1ccc2c(c1)CCC[C@]21NC(=O)N(Cc2cc(OC)c(OC)cc2C)C1=O 9609636 KQJUXHSKPCBZHI-QHCPKHFHSA-N 410.470 3.304 0 40 HGAB C[C@@H](NC(=O)CSc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccccc1 10010080 UKCDIMGEWCUQEA-MRXNPFEDSA-N 404.557 3.441 0 40 HGAB COc1ccc(OC)c(NC(=O)[C@H](C)N(c2cc(C)ccc2C)S(C)(=O)=O)c1 10327176 FGMLKXWFJBFEQP-HNNXBMFYSA-N 406.504 3.114 0 40 HGAB COc1cc2c(cc1NC(=O)Cn1nnn(-c3cccs3)c1=O)oc1ccccc12 10511739 UQLDIOCBPMKCOE-UHFFFAOYSA-N 421.438 3.037 0 40 HGAB COc1cc(NC(=O)[C@@H](C)NC(=O)c2ccccc2Cl)ccc1N1CCCC1=O 11446054 OJVXOEQEUSYMNO-CYBMUJFWSA-N 415.877 3.232 0 40 HGAB O=C1N[C@H](c2cccc(O)c2)[C@@H](C(=O)c2ccc(Cl)cc2)[C@](O)(C(F)(F)F)N1 11614590 RDQLJCDEPOORFC-VBQJREDUSA-N 414.767 3.150 0 40 HGAB COc1ccc(NC(C)=O)cc1NC(=O)C(=O)c1c(C)nn(-c2ccccc2)c1C 11659021 OMSHYJGXVJFMFY-UHFFFAOYSA-N 406.442 3.278 0 40 HGAB COc1ccccc1CC(=O)N1CCN(C(=O)CCc2c[nH]c3ccccc23)CC1 12323568 WIXQLASIAITHGX-UHFFFAOYSA-N 405.498 3.023 0 40 HGAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccccc1N1CCN(C)CC1 12558013 KIRNFSIJKGYXLQ-HSZRJFAPSA-N 404.514 3.341 0 40 HGAB COc1ccc(S(=O)(=O)Nc2nc(C(=O)N[C@@H](C)c3ccccc3)cs2)cc1 12628224 FPIQIGJNMBTYHA-ZDUSSCGKSA-N 417.512 3.444 0 40 HGAB CCOc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2cc(OC)ccc2OC)cc1 12708526 PKERVYTUEJQACN-HXUWFJFHSA-N 411.458 3.369 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(CNC(=O)CSCCc2ccccc2)cc1 12762263 OHQZMWWEUHCZPN-UHFFFAOYSA-N 420.600 3.309 0 40 HGAB C[C@@H](NC(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1)c1ccc(Cl)cc1 12783977 LHYFDRGQCOXOGD-KDOFPFPSSA-N 422.934 3.288 0 40 HGAB C[C@H]1CCCN(Cc2csc(NC(=O)CCNC(=O)NCc3ccccc3)n2)C1 12793559 SXPNJYLYNAETGD-INIZCTEOSA-N 415.563 3.203 0 40 HGAB CN(CC(=O)Nc1nc(-c2ccc(F)cc2)cs1)Cc1nc2ccccc2c(=O)[nH]1 12807781 KBESABBWFQYJST-UHFFFAOYSA-N 423.473 3.256 0 40 HGAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)CCOc1cccc(Cl)c1 12857373 VPIJQKMNDCXPOJ-OAHLLOKOSA-N 401.894 3.415 0 40 HGAB O=C1NC2=C(C(=O)N(Cc3cccs3)C2)[C@H](c2ccc(Br)cc2)N1 12879425 FELOLTVSIULLKN-HNNXBMFYSA-N 404.289 3.161 0 40 HGAB O=C(CCC(=O)c1cccs1)CCC(=O)N1CCN(C(=O)c2cccs2)CC1 12974345 FMOOAADPOQXHRX-UHFFFAOYSA-N 418.540 3.106 0 40 HGAB Cc1ccc(NC(=O)CN(C)C(=O)[C@@H](C)OC(=O)c2cc(C)nc3ccccc23)cc1 13069392 BWGNGUWKQSFVGT-QGZVFWFLSA-N 419.481 3.494 0 40 HGAB CC(C)c1ccc(NC(=O)C2CCN(C(=O)CNC(=O)c3ccccc3)CC2)cc1 13690188 QOUJBZXSVVPBKB-UHFFFAOYSA-N 407.514 3.417 0 40 HGAB C[C@](O)(CC(=O)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2)C(F)(F)F 14113802 BKFOYUFYQUZWKB-SFHVURJKSA-N 410.348 3.310 0 40 HGAB COc1cc(CN(C)CN2C(=O)N[C@@]3(CCCC[C@@H]3C)C2=O)ccc1OC(F)F 14229583 GWGJUOPCWDUCRJ-RNODOKPDSA-N 411.449 3.187 0 40 HGAB O=S(=O)(NCCc1csc2nc(-c3cccs3)nn12)c1ccc(F)cc1 15783853 SWELBBVSMHHDOM-UHFFFAOYSA-N 408.505 3.179 0 40 HGAB CC(C)(C)C(=O)[C@H]1[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]2[C@H]2c3ccccc3C=NN21 16038882 YWTQOLURXZNQEK-IYWMVGAKSA-N 419.456 3.320 0 40 HGAB CCNS(=O)(=O)c1cc(C(=O)N2CCC(Cc3ccccc3)CC2)ccc1OC 16681768 QODWVWOEHBJIKN-UHFFFAOYSA-N 416.543 3.088 0 40 HGAB COC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)CN1C[C@@H](C)O[C@H](C)C1 17087342 OAPSLAYULSKYOI-CHWSQXEVSA-N 406.479 3.389 0 40 HGAB COc1ccc(-c2csc(NC(=O)[C@@H](C)Cn3nc(C)nc3C)n2)cc1OC 19285955 SDSLEVZXXAIQJV-NSHDSACASA-N 401.492 3.310 0 40 HGAB COc1ccc(-c2ccc(C[C@@H]3CN(C(=O)c4ccccn4)CCNC3=O)cc2)cc1 19558346 JAVCFDZMDVUSRN-OAQYLSRUSA-N 415.493 3.188 0 40 HGAB CC(C)(C)[C@H](Cn1ccnc1)NC(=O)c1cc(N2CCOCC2)nc2ccccc12 19666999 OWHCXDSXUNCYBF-FQEVSTJZSA-N 407.518 3.113 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N[C@H]2CCCc3ccccc32)cc1 20021212 KUTGIAVPADTCHE-NRFANRHFSA-N 416.543 3.290 0 40 HGAB CCCNS(=O)(=O)c1ccc(CCC(=O)N[C@H](C)c2ccccc2OC)cc1 20024207 JRZUHEULNHWUGF-MRXNPFEDSA-N 404.532 3.194 0 40 HGAB O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)Nc1ccc(Cl)c2cccnc12 22867501 UQSHGCUNZCQKCB-QFIPXVFZSA-N 420.856 3.220 0 40 HGAB O=C(NCc1cn2ccccc2n1)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 23754766 LVRAXUCEKPFFPT-UHFFFAOYSA-N 424.457 3.204 0 40 HGAB O=C(OCc1ccc(-c2ccccc2)cc1)C1CCN(c2ccc3nnnn3n2)CC1 24825497 FSZLRPJIIVIBJJ-UHFFFAOYSA-N 414.469 3.146 0 40 HGAB CN(C)[C@@H](CNC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCC3)c1ccsc1 25328876 YCUDPMPNNWOAER-IBGZPJMESA-N 410.543 3.217 0 40 HGAB Cc1ccc(-c2cc(C(=O)N3CCN(c4cnccn4)CC3)c3c(C)noc3n2)s1 25834970 KCAIUAIHAFJASW-UHFFFAOYSA-N 420.498 3.321 0 40 HGAB Cc1ccc(C(=O)N[C@@H](C(=O)Nc2ccc(N3CCN(C)CC3)cc2C)C(C)C)cc1 26567335 BVUHULGASFRCPK-HSZRJFAPSA-N 422.573 3.448 0 40 HGAB CC1CCN(Cc2ccc(CNC(=O)c3ccccc3S(C)(=O)=O)cc2)CC1 29358663 WEVXIKYEDCIWEY-UHFFFAOYSA-N 400.544 3.252 0 40 HGAB COC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)[C@]2(C)CC2(Cl)Cl)CC1 30684989 QXVDLINQNGIVJH-YOEHRIQHSA-N 419.736 3.282 0 40 HGAB COC(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc(N3CCCC3=O)c(C)c2)c1 30851675 WHCZMYVPUQAZCX-UHFFFAOYSA-N 422.890 3.363 0 40 HGAB Cc1ccccc1CN1CC(=O)N(c2ccc(C(C)C)cc2)[C@@H]2CS(=O)(=O)C[C@@H]21 31773820 HQEAZCXRHKYRFH-FCHUYYIVSA-N 412.555 3.133 0 40 HGAB Cc1nn(-c2ncnc3[nH]cnc23)c2c1[C@H](c1ccccc1Br)CC(=O)N2 31807800 QOJNAJCZNKFGBP-NSHDSACASA-N 424.262 3.084 0 40 HGAB O=C1CSc2sc3c(=O)n(C[C@H](c4ccccc4)N4CCCC4)cnc3c2N1 32624499 NHACXNTZQWZEIK-CQSZACIVSA-N 412.540 3.339 0 40 HGAB O=C(CSc1nc2ncccc2c(=O)n1-c1ccccc1)NCc1ccc(F)cc1 32876544 FMESEOBSGCXLMA-UHFFFAOYSA-N 420.469 3.328 0 40 HGAB O=C(COC(=O)c1ccc(N2C(=O)CCC2=O)cc1)Nc1cc(Cl)ccc1Cl 36240486 TYRKLULPTSOZQK-UHFFFAOYSA-N 421.236 3.442 0 40 HGAB CCC(CC)N(C(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1)C1CC1 40105138 RAJMADHYLVRJHO-HOTGVXAUSA-N 408.564 3.278 0 40 HGAB CC(C)Cc1ccc(C(=O)C2CCN([C@@H](C)C(=O)NC[C@@H]3CCCO3)CC2)cc1 40105851 ZEIOQYRCIKDMOT-AVRDEDQJSA-N 400.563 3.464 0 40 HGAB COC(=O)[C@@H](CCSC)NC(=O)CCCc1nc(-c2ccc(Cl)cc2)no1 41154627 BPBADXNUTPKJMG-CQSZACIVSA-N 411.911 3.124 0 40 HGAB Cc1ccc(NC(=O)Cn2cnc3nc(N4CCCC4)sc3c2=O)cc1Cl 45970573 QFFHXTVVVKAICM-UHFFFAOYSA-N 403.895 3.054 0 40 HGAB Cc1cccc(NC(=O)C2CCN(C(=O)c3ccc4nc(C)c(C)nc4c3)CC2)n1 46807469 WAUAOEQYDSOIET-UHFFFAOYSA-N 403.486 3.441 0 40 HGAB CC(=O)Nc1ccc(NC(=O)[C@@H]2CCN(c3cccc(Br)c3)C2=O)cc1 48166747 FMLOATQWXKTUBD-KRWDZBQOSA-N 416.275 3.399 0 40 HGAB COc1ccc(-c2noc(CCCC(=O)NCc3ccc(CN(C)C)cc3)n2)cc1 48300480 XFNAQWUIGFADCL-UHFFFAOYSA-N 408.502 3.446 0 40 HGAB COc1ccc(C(=O)N2CC[C@H](c3nnc(-c4ccc(N(C)C)cc4)o3)C2)cc1OC 49170881 HHPSHHXKOINJRL-KRWDZBQOSA-N 422.485 3.450 0 40 HGAB biogenic,in-vitro Cc1ccc(C)c(-c2cc3c(=O)n(CC(=O)Nc4ccc(Cl)cc4)ncn3n2)c1 51317062 CQWNYFHHSUIHGY-UHFFFAOYSA-N 407.861 3.467 0 40 HGAB CCOC(=O)c1ccc(NC(=O)Cn2c(-c3ccc(F)cc3)nc(CC)cc2=O)cc1 57508523 YJMNSIBENKQBNF-UHFFFAOYSA-N 423.444 3.427 0 40 HGAB COc1cccc(-c2cn(C)c3c(=O)n(CC(=O)Nc4ccccc4C)cnc23)c1 67235519 VKJHHPNUJYZZAV-UHFFFAOYSA-N 402.454 3.358 0 40 HGAB CC(=O)c1cccc(NC(=O)Cn2nnc(C(=O)Nc3cc(F)ccc3C)c2C)c1 67322985 JCLRPSNARZKBKS-UHFFFAOYSA-N 409.421 3.128 0 40 HGAB O=S(=O)(c1ccc(F)cc1)N1CCN(C2CCCC2)C[C@H](Cc2ccccn2)C1 72355123 PKCDOZCPJLZKLF-SFHVURJKSA-N 417.550 3.329 0 40 HGAB Cc1ccc(C(=O)CCC(=O)N2CCC3(CC2)CNC(=O)c2ccccc2O3)cc1C 72393296 IERWAWUHYPADKY-UHFFFAOYSA-N 420.509 3.450 0 40 HGAB O=C(Nc1ccc(Cl)cn1)[C@H]1CCCN(S(=O)(=O)c2ccc3c(c2)CCC3)C1 78535214 HVGQBNZVOJVHSG-INIZCTEOSA-N 419.934 3.263 0 40 HGAB C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1CC(=O)NCC1(c2ccccc2)CCC1 89920317 DRKLJUVPZCDKQZ-RTBURBONSA-N 415.578 3.460 0 40 HGAB CCc1c(C)nc2n(c1=O)C[C@H](C(=O)Nc1cccc(Br)c1)CS2 90609791 DVENVVVGWSXSHQ-NSHDSACASA-N 408.321 3.237 0 40 HGAB CCc1nc2ccc(C(=O)N3CC(S(=O)(=O)c4ccc(OC)cc4)C3)cc2s1 96377979 APYNEKCOKFUPGD-UHFFFAOYSA-N 416.524 3.166 0 40 HGAB CC(C)N1CCc2c(nc3cc([C@H]4CCCCN4C(=O)C4CCCC4)nn3c2O)C1 100234086 FDMNORQTKBYRFO-HXUWFJFHSA-N 411.550 3.445 0 40 HGAB C[C@@H](C(=O)NCC(c1ccccc1)c1ccccc1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 100682565 DQPCXQOQNBWZPD-DZFGPLHGSA-N 402.494 3.274 0 40 HGAB CCn1c(S)nc2cc(C(=O)NCCOc3cccc(Cl)c3)ccc2c1=O 102792046 XICBROXFKSLPCI-UHFFFAOYSA-N 403.891 3.167 0 40 HGAB COc1cccc(N(C)C(=O)c2ccc(OC)c(S(=O)(=O)N3CCCCC3)c2)c1 222917640 IHPUTNSSXVYZRJ-UHFFFAOYSA-N 418.515 3.155 0 40 HGAB COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NCCCN2CCCCC2)cc1 223321454 QKCYXHYGVYUUSV-FXBPSFAMSA-N 411.502 3.051 0 40 HGAB CC[C@@H](C(=O)NCCOCc1ccccc1)N(c1ccc(C)c(C)c1)S(C)(=O)=O 224313056 VSXFWVKEGZCEBU-NRFANRHFSA-N 418.559 3.181 0 40 HGAB COc1ccc(-c2cnc(-c3ccccc3C(=O)N3CCN(C)CC3)o2)c(OC)c1 224936258 IACQWAGHRXFJHU-UHFFFAOYSA-N 407.470 3.413 0 40 HGAB CCn1c(=O)sc2cc(S(=O)(=O)Nc3ccc(N4CCCC4)cc3)ccc21 224939305 WFTWTKVCQMLLGB-UHFFFAOYSA-N 403.529 3.484 0 40 HGAB CC[C@@H](NC(=O)CCc1cc(S(=O)(=O)N(C)C)ccc1OC)c1ccccc1 225215480 SKFQQXIKTCVXOH-LJQANCHMSA-N 404.532 3.146 0 40 HGAB O=C([C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)N1CCOc2ccccc21 226077705 DBLJKRJOVVUJNK-OAHLLOKOSA-N 420.918 3.166 0 40 HGAB COc1ccc(N(C)C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)cc1 226077980 BPPDXOXTLVHMFU-HNNXBMFYSA-N 422.934 3.412 0 40 HGAB CC(=O)c1ccc(N2CCN(C[C@@H](O)COCC3=CC[C@H]4C[C@H]3C4(C)C)CC2)cc1 245228254 LQYFQQZOGBCADR-QPTUXGOLSA-N 412.574 3.381 0 40 HGAB C[C@@H]1CCCN(c2cc(C(=O)N(C[C@H]3CCCO3)C3CCN(C)CC3)ccn2)C1 248100394 DOQWFNZBIGCUGX-WIYYLYMNSA-N 400.567 3.033 0 40 HGAB CC[C@@H](Oc1cccc(OC)c1)C(=O)N1[C@H]2CC[C@H]1c1cnc3cc(C)nn3c1C2 248342352 XWQXYHPONSFDKI-PAXLWEDBSA-N 406.486 3.492 0 40 HGAB CCOC[C@]1(C(N)=S)[C@@H](c2ccc(CC)cc2)[C@H]1S(=O)(=O)c1ccccc1 252515727 NAFXETIKJBKVBK-ZVDOUQERSA-N 403.569 3.498 0 40 HGAB NC(=O)C[C@@]1(COc2cccc(Cl)c2)CN(Cc2ccc(F)cc2F)CCO1 257213211 CGPFXDLDMYLUDV-FQEVSTJZSA-N 410.848 3.144 0 40 HGAB CCc1nc(-c2cncnc2[C@H]2CCN(C(=O)c3ccc4c(c3)CCCN4C)C2)no1 257238566 HLPRWPQSTHMEPO-KRWDZBQOSA-N 418.501 3.101 0 40 HGAB CC(C)n1cnc([C@H]2CN(Cc3ccco3)C[C@]23CCN(Cc2cccnc2)C3=O)c1 306125590 CVBLCHSCFSZWEY-ZJSXRUAMSA-N 419.529 3.470 0 40 HGAB Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H](C(=O)NCCc3ccccc3)C2)c(C)c1 408551028 GTAAQTWOUIDZHA-OAQYLSRUSA-N 414.571 3.371 0 40 HGAB CCOc1ccccc1NS(=O)(=O)c1ccc(O[C@@H](C)C(=O)NCC(C)C)cc1 408611234 WHAHTBYJMUAYJO-INIZCTEOSA-N 420.531 3.426 0 40 HGAB CCOc1ccc(NC(=O)[C@@H](C)NS(=O)(=O)c2cc(Cl)ccc2OC)cc1 408617494 DAERFPHXMMJPJZ-GFCCVEGCSA-N 412.895 3.053 0 40 HGAB CS(=O)(=O)N(CCCC(=O)NC1CCCCCCC1)c1ccc2c(c1)OCO2 408704036 ITOLYWJXQGSLFY-UHFFFAOYSA-N 410.536 3.191 0 40 HGAB C[C@@H](NC(=O)COc1ccc(S(=O)(=O)NCc2ccccc2)cc1)c1ccccc1 409190371 XUPKRYOPIXWMQK-GOSISDBHSA-N 424.522 3.421 0 40 HGAB CCCCOC(=O)CN1C(=O)S/C(=C\c2ccc(OCC(=O)OCC)cc2)C1=O 409213831 TZXCUTZHTZQQSK-WJDWOHSUSA-N 421.471 3.008 0 40 HGAB CCOc1cc(/C=C2/SC(=O)N(CC(=O)O[C@@H](C)CC)C2=O)ccc1OC(C)=O 409219801 UYGUSAZBLHPDFL-VAKHEIKFSA-N 421.471 3.389 0 40 HGAB COC(=O)c1sccc1S(=O)(=O)NC[C@@H](O)c1ccc(-c2ccsc2)cc1 585148204 ZMWIBDPLMUWEIP-OAHLLOKOSA-N 423.537 3.275 0 40 HGAB C[C@@H]1C[C@H](NS(=O)(=O)c2ccc3nc(O)nc(O)c3c2)C[C@H](c2ccccc2)C1 1561648625 PIYDSALBVHQZOR-IMJJTQAJSA-N 413.499 3.292 0 40 HGAB C[C@H]1CN(c2nc(Sc3ccccn3)cc(N3C[C@@H](C)O[C@H](C)C3)n2)C[C@H](C)O1 1615627232 BCUZPTRGPIVWJC-NCOADZHNSA-N 415.563 3.250 0 40 HGAB Cc1nc(C2CCOCC2)cc(N2CCN(c3nc4ccccc4nc3C)CC2)n1 1888914292 IAPZTJRXGGYNLX-UHFFFAOYSA-N 404.518 3.257 0 40 HGAB CCN1CC[C@@]2(CN(c3ncccn3)CC23CCN(CC2CCCCC2)CC3)C1=O 2055795910 STZNNLSTEZKOPZ-XMMPIXPASA-N 411.594 3.198 0 40 HGAB Cc1nn(C)cc1CN(C)C(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccco1)N2 675129 ZQWJVORHZYNRME-CJNGLKHVSA-N 422.411 3.451 0 40 HGAB O=c1/c(=C\c2cccc3ccccc23)sc2nc([C@@H]3COc4ccccc4O3)nn12 1126595 BNKKSEZTEARSBO-GUBFPNNNSA-N 413.458 3.364 0 40 HGAB Cc1cc(C)n2nc(C(=O)OCC(=O)Nc3ccccc3Oc3ccccc3)nc2n1 3345803 SDMKITHFQXRPDI-UHFFFAOYSA-N 417.425 3.329 0 40 HGAB Cc1ccc(NC(=O)CN2C(=O)N[C@@]3(CCCC[C@@H]3C)C2=O)c(Br)c1 4515821 NNKAXVBVTIEUMU-KPZWWZAWSA-N 408.296 3.197 0 40 HGAB CCn1c(CC(=O)Nc2ccc(F)cc2)nnc1SCC(=O)NC1CCCCC1 4814673 JTIGZJDXRFGBQP-UHFFFAOYSA-N 419.526 3.159 0 40 HGAB Cc1ccc(Cn2nnc3c(O)nc(C4CCN(C(=O)CC(C)C)CC4)nc32)cc1 5738581 NUYJOJWBZGHNEL-UHFFFAOYSA-N 408.506 3.036 0 40 HGAB Cc1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(Br)cc2)cc1C 6234119 GKCIPSZUAPKHQC-ZDUSSCGKSA-N 411.321 3.371 0 40 HGAB COc1ccccc1N(CC(=O)Nc1cccc(Cl)c1Cl)S(C)(=O)=O 6453277 AVWVTPYNSIPZCT-UHFFFAOYSA-N 403.287 3.407 0 40 HGAB NC(=O)[C@H]1CCCCN1C(=O)/C=C/c1cn(Cc2ccccc2)nc1-c1ccccc1 6590847 AOMAZXMTZDRQCB-JXVRESAISA-N 414.509 3.478 0 40 HGAB Cc1ccc(CN(C(=O)[C@H](C)Oc2cccc(C)c2C)[C@@H]2CCS(=O)(=O)C2)o1 6810338 TZDWKWLIMFOUPN-ZWKOTPCHSA-N 405.516 3.188 0 40 HGAB CC(C)CCNC(=O)NC(=O)CSc1nc(COc2ccc(Cl)cc2)n[nH]1 6887439 UCZPBXODAIIHAX-UHFFFAOYSA-N 411.915 3.001 0 40 HGAB CC(C)c1cc(NC(=O)COC(=O)c2ccccc2CSc2ncn[nH]2)on1 6887909 JBNLURLOIZESJP-UHFFFAOYSA-N 401.448 3.004 0 40 HGAB CCN(CC)S(=O)(=O)c1c(C)nn(CC(=O)Nc2ccc(C(C)(C)C)cc2)c1C 7025302 CLNNUDPNWRKFRN-UHFFFAOYSA-N 420.579 3.467 0 40 HGAB Cc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3cccc(Cl)c3C)CC2=O)cc1 7429577 KPYUKOZIOUUKCD-HNNXBMFYSA-N 400.862 3.492 0 40 HGAB CCOC(=O)c1oc2ccccc2c1COC(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12 7433721 ZDTNDMCEEBQJPS-VBKZILBWSA-N 403.456 3.107 0 40 HGAB Cc1cc(NC(=O)CN(C)Cc2ccccc2N2CCOCC2)n(-c2ccccc2)n1 8159880 VIHLEUDMHNJPLS-UHFFFAOYSA-N 419.529 3.088 0 40 HGAB CS(=O)(=O)N(CCc1ccccc1)CC(=O)Nc1c(Cl)cccc1Cl 8169471 YULWZQFPMXWEOB-UHFFFAOYSA-N 401.315 3.436 0 40 HGAB Cc1nc(N2CCN(C(=O)c3ccco3)CC2)nc2c1C(=O)C[C@H](c1cccs1)C2 8995771 COLBHDIWKLSVSH-OAHLLOKOSA-N 422.510 3.315 0 40 HGAB O=C(NCCc1ccc(Cl)cc1Cl)C1CCN(c2ncnc3[nH]cnc23)CC1 9060411 HAKXHHPZFBXXNK-UHFFFAOYSA-N 419.316 3.235 0 40 HGAB COc1ccc(CN2C(=O)N[C@@H](CCC(=O)NC3CCCCCCC3)C2=O)cc1 9419819 JMBLBMQRFHAJKU-IBGZPJMESA-N 401.507 3.125 0 40 HGAB Cc1cccc(N2CCN(C(=O)CN3CCC[C@H]3c3ccc4c(c3)OCCO4)CC2)c1 10053900 MDTFZAXPQDMGNI-QFIPXVFZSA-N 421.541 3.252 0 40 HGAB Cc1ccc(S[C@H](C)C(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 10287792 LJCFINZCMPPLOQ-GOSISDBHSA-N 418.584 3.317 0 40 HGAB CCS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(OCc3ccccc3)cc2)C1 10302351 FISLPZGAFLMPJM-SFHVURJKSA-N 402.516 3.266 0 40 HGAB O=C(Cn1c(=O)n(-c2ccccc2)c(=O)c2ccccc21)Nc1ccc(Cl)cc1 10338759 ZLFAVZQXCVUDBB-UHFFFAOYSA-N 405.841 3.445 0 40 HGAB COc1ccc(Cl)cc1N([C@@H](C)C(=O)N1c2ccccc2C[C@@H]1C)S(C)(=O)=O 10449901 WMUDGFLWUYPYIS-KBPBESRZSA-N 422.934 3.481 0 40 HGAB COc1cc(OC)c(NC(=O)COC(=O)[C@H](C)Oc2ccc(F)cc2)cc1Cl 10907346 GWYVBNVDXWKXRC-NSHDSACASA-N 411.813 3.446 0 40 HGAB CC(C)n1c(=O)oc2cc(S(=O)(=O)N3CCCCC[C@@H]3c3cnn(C)c3)ccc21 12234461 XCUGAAONHDEMCQ-QGZVFWFLSA-N 418.519 3.215 0 40 HGAB CC[C@@H]1Oc2ccc(C(=O)c3ccco3)cc2N(CC(=O)N2CCCC[C@H]2C)C1=O 12241944 BYFYLJVGHKQBMM-QAPCUYQASA-N 410.470 3.416 0 40 HGAB COc1cccc(CC(=O)N2CCC[C@H](c3nc4ccccc4cc3C(N)=O)C2)c1 12255455 CXJFUKWNYSJDOY-SFHVURJKSA-N 403.482 3.291 0 40 HGAB CC(C)(C)c1ccc(NC(=O)CN(Cc2ccco2)[C@@H]2CCS(=O)(=O)C2)cc1 12767584 LVEOADPOVYGUHF-GOSISDBHSA-N 404.532 3.205 0 40 HGAB CC[C@@H](C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)c1ccccc1 12810458 LYJDAYWYFDSAAS-QGZVFWFLSA-N 422.934 3.493 0 40 HGAB COc1ccc(C)cc1NC(=O)[C@H](C)N1CCC(C(=O)NCc2ccccc2)CC1 12819167 XJSHCUKEWPPFOT-SFHVURJKSA-N 409.530 3.359 0 40 HGAB C[C@@H]1CCCC[C@]12NC(=O)N(C[C@@H](O)COc1ccc(Cl)cc1Cl)C2=O 12869035 AXVIALSWJUFTQA-BVRBVLIYSA-N 401.290 3.234 0 40 HGAB CC1(C)NC(=O)N(CCC(=O)N2CCCC[C@H]2c2nc3ccccc3s2)C1=O 12916754 ZMRJKWIMEBVFQZ-AWEZNQCLSA-N 400.504 3.070 0 40 HGAB Cc1ccc(CN(C)C(=O)CN2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)cc1 12922836 GFGOKSIRWFRQAB-UHFFFAOYSA-N 422.525 3.320 0 40 HGAB Cc1ccc(NC(=O)CN(C)C(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)cc1 12935102 NLFJXCDSKKVMGP-UHFFFAOYSA-N 411.477 3.083 0 40 HGAB Cc1cc(-c2cc(=O)n([C@H](C)C(=O)NCc3cccs3)nc2-c2ccco2)on1 13226180 YZZYRYFZYKIQEB-CYBMUJFWSA-N 410.455 3.406 0 40 HGAB CC(C)(C)OC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OC(C)(C)C)[C@H]1c1ccc(O)cc1 13564324 IAIPIVRRJFSQNH-FXKZBUDASA-N 420.502 3.115 0 40 HGAB Fc1ccc(Nc2nc(Oc3ccc(-c4nnn[nH]4)cc3)nc(N3CCCC3)n2)cc1 13592055 AFUZCHQQGGYKCU-UHFFFAOYSA-N 419.424 3.327 0 40 HGAB O=C(Nc1ccc2c(c1)N(C(=O)[C@H]1CCCO1)CC2)c1cc2ccccc2oc1=O 13695606 IXNWSYQTAXAPLO-HXUWFJFHSA-N 404.422 3.113 0 40 HGAB COc1ccc(CNC(=O)CNS(=O)(=O)c2ccc(C3CCCCC3)cc2)cc1 14118878 MIDZPLDMPIGFLY-UHFFFAOYSA-N 416.543 3.338 0 40 HGAB CCOC(=O)C1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1ccc(OC)c(OC)c1 14162597 OZZHDUUIOMOYRU-KRWDZBQOSA-N 423.421 3.068 0 40 HGAB Cc1ccc(N2C(=O)C[C@@H](N3CCC(C(=O)Nc4ccccc4)CC3)C2=O)c(C)c1 15470160 FNWISYOESJHHKU-OAQYLSRUSA-N 405.498 3.286 0 40 HGAB O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1cccc2ccccc12 15541063 SDOAFBWMUWANFZ-UHFFFAOYSA-N 424.522 3.432 0 40 HGAB CC(C)Cc1nn2c(=O)cc(COC(=O)c3ccc(Br)cc3)nc2s1 15734058 DYFADUJNUHBQGO-UHFFFAOYSA-N 422.304 3.469 0 40 HGAB CCS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)c3ccc(F)c(C)c3)cc21 15781519 TTZDXBAHZVPENY-UHFFFAOYSA-N 412.508 3.037 0 40 HGAB O=c1c2cc(Cc3ccccc3)sc2[nH]c(=S)n1CCCN1CCOCC1 17082272 ZTUMSBRPRSQKTI-UHFFFAOYSA-N 401.557 3.434 0 40 HGAB Cc1cc(-c2cnc(N3CCCC3)nc2[C@H]2CCCN(C(=O)c3ccccn3)C2)on1 19122155 CGWNZHFKWXJTOT-KRWDZBQOSA-N 418.501 3.455 0 40 HGAB COc1cccc([C@H](NC(=O)c2cc3ccc(N(C)C)cc3[nH]2)c2nccn2C)c1 19291241 IYJVBFUFHBDHAX-NRFANRHFSA-N 403.486 3.495 0 40 HGAB Cc1nc(C2CCN(C(=O)c3c(Cl)cnn3C)CC2)sc1-c1ccncn1 19560696 PKOBFLCZQXANND-UHFFFAOYSA-N 402.911 3.315 0 40 HGAB CN(C)c1ncc(-c2ccc(F)cc2)c(C2CCN(C(=O)c3cnn(C)c3)CC2)n1 19695337 HWIHZCPNWACZHS-UHFFFAOYSA-N 408.481 3.102 0 40 HGAB COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)C[C@H]1C(=O)Nc1ccc(F)cc1 19819132 FGIXFPYIJVWSCN-QGZVFWFLSA-N 400.381 3.403 0 40 HGAB CC(C)c1ccc(/C=C/C(=O)OCC(=O)NC(=O)NCCc2cccs2)cc1 20067719 FBVHZNHDLNFUFE-JXMROGBWSA-N 400.500 3.496 0 40 HGAB CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)N2CCN(C)CC2)[C@H]1c1cccs1 20508292 RKGILORZWVCPSG-LEWJYISDSA-N 411.571 3.459 0 40 HGAB CCN(CC)CCn1c(S)nc2cc(C(=O)N3C[C@@H](C)C[C@H](C)C3)ccc2c1=O 20645359 LFWJNDSWJNBXLC-HOTGVXAUSA-N 416.591 3.145 0 40 HGAB COc1cccc(-c2nn3c(COc4ccc5c(c4)OCO5)nnc3s2)c1OC 20728349 HQOAWXMDJXVIQB-UHFFFAOYSA-N 412.427 3.178 0 40 HGAB CCCCCNC(=O)COc1ccc(N(Cc2ccccc2)S(C)(=O)=O)cc1 22231310 MWNYWSDBZPPTBR-UHFFFAOYSA-N 404.532 3.338 0 40 HGAB CC[C@H](NC(=O)CN(c1cccc(OC)c1)S(C)(=O)=O)c1ccc(C)cc1C 22332431 ALQKJWFVJKFMJJ-FQEVSTJZSA-N 404.532 3.346 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)[C@H](C)Oc1cccc(C)c1 22508937 HCMWXPSVFJDDOE-INIZCTEOSA-N 418.515 3.194 0 40 HGAB CN1CCN(c2nc3ccc(NC(=O)c4ccc5c(c4)OCCO5)cc3s2)CC1 23135841 SZNVXKXPUUISKF-UHFFFAOYSA-N 410.499 3.072 0 40 HGAB Cc1nc(COc2ccccc2C(=O)N2CCN(Cc3ccncc3)CC2)cs1 23873336 DWAHRKZYIYZDAS-UHFFFAOYSA-N 408.527 3.384 0 40 HGAB O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)Nc1cccc(-n2cnnn2)c1 24016067 SVCGOSVTOJRXGI-OAQYLSRUSA-N 412.453 3.162 0 40 HGAB CCOc1cc(CN(CC(=O)NC(=O)NC(C)(C)C)C2CC2)ccc1OC(F)F 24216730 FDIBRICZCZCURG-UHFFFAOYSA-N 413.465 3.275 0 40 HGAB CC(C)Cn1c(=O)[nH]c(=O)c2c(C(=O)N3c4ccccc4C[C@@H]3C)cc(C3CC3)nc21 24442476 VABOEPFNNMNRPQ-AWEZNQCLSA-N 418.497 3.210 0 40 HGAB CN(C)S(=O)(=O)c1ccc(OCCN2CCc3sccc3[C@@H]2C2CC2)cc1 24768786 YZQWABQKTZHZTO-FQEVSTJZSA-N 406.573 3.387 0 40 HGAB Cc1cccc(OCC(=O)NC[C@H](c2ccc(Cl)cc2)N2CCN(C)CC2)c1 28287972 MEZSLOYFRVJPKJ-OAQYLSRUSA-N 401.938 3.132 0 40 HGAB CCOC(=O)c1ccc(N2C(=O)C[C@@H](N3CCc4c([nH]c5ccccc45)C3)C2=O)cc1 30903921 SYJRUTHNXVOTFP-OAQYLSRUSA-N 417.465 3.035 0 40 HGAB biogenic COC(=O)C[C@@H](NC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1)c1cccs1 32453818 LIABQPCUCDXXBV-SWLSCSKDSA-N 406.891 3.175 0 40 HGAB O=C(Cc1ccc(Br)cc1)N1CCN(C(=O)c2ccc(F)c(F)c2)CC1 32800668 PXVOYDASFCWQON-UHFFFAOYSA-N 423.257 3.254 0 40 HGAB COc1cc(CNC(=O)c2ccc(Cl)c(I)c2)ccn1 32924272 KEMLSZVIMXLTGH-UHFFFAOYSA-N 402.619 3.278 0 40 HGAB Cc1ccc(S(=O)(=O)N(CC(F)(F)F)S(=O)(=O)c2ccc(C)cc2)cc1 33047622 GUHAOLZBVGBOHH-UHFFFAOYSA-N 407.435 3.245 0 40 HGAB CC[C@H](C)NC(=O)c1ccccc1NS(=O)(=O)c1cc(C(=O)O)cc(C)c1C 35296283 NIRKNIQUWPNLTB-ZDUSSCGKSA-N 404.488 3.331 0 40 HGAB C[C@H](NC(=O)[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1)c1ccccc1)c1ccccc1 35485235 ZGJVNRUSVAJNSC-GKVQRAMASA-N 413.521 3.436 0 40 HGAB biogenic CCc1cccc(CC)c1NC(=O)[C@H]1CN(S(C)(=O)=O)c2cc(C)ccc2O1 38856262 LYPXAULVIJVKJB-LJQANCHMSA-N 402.516 3.286 0 40 HGAB Cc1ccc(C)c(S(=O)(=O)Oc2ccc(C(=O)NC3CCC(O)CC3)cc2)c1 49908994 NUMJUCDWSZCDNS-UHFFFAOYSA-N 403.500 3.104 0 40 HGAB COCCn1c(SCC(=O)Nc2ccccc2Cl)nc2ccsc2c1=O 57425694 SBUYMRVQSNKRTM-UHFFFAOYSA-N 409.920 3.489 0 40 HGAB CCOc1c(Br)cc(CNCC(=O)N2CCCC2)cc1Br 57996905 RHBYGKCOFISGGT-UHFFFAOYSA-N 420.145 3.322 0 40 HGAB O=C(CN1CCN(c2ccccc2O)CC1)N[C@@H](c1ccccc1)c1cccs1 58173701 VIIBPYQWCCMVHJ-QHCPKHFHSA-N 407.539 3.482 0 40 HGAB Cc1cccc(C)c1NC(=O)Cn1c(=O)cnc2cc(C(=O)NC3CCCC3)ccc21 62007117 OETCQWGAXGESEK-UHFFFAOYSA-N 418.497 3.324 0 40 HGAB CC(=O)c1cccc(NC(=O)Cn2nnc(C(=O)Nc3ccc(C)cc3C)c2C)c1 67322956 JBRLCJUXIAVEHG-UHFFFAOYSA-N 405.458 3.297 0 40 HGAB COc1ccc(-c2ccc(=O)n(CC(=O)Nc3cccc4[nH]ccc34)n2)cc1OC 71288246 RSEPXVDISOPBEW-UHFFFAOYSA-N 404.426 3.048 0 40 HGAB COc1ccc(NC(=O)Cn2nnc(C(=O)Nc3c(C)cccc3C)c2C)c(OC)c1 71327041 HBWHWQKCOVYODZ-UHFFFAOYSA-N 423.473 3.112 0 40 HGAB CCOc1ccccc1CNC(=O)COc1ccc(I)cc1 72017176 SYTRGXSVLHQHEU-UHFFFAOYSA-N 411.239 3.385 0 40 HGAB COc1ccccc1C(C)(C)NC(=O)Nc1ccc(S(=O)(=O)NCC2CC2)cc1 72303992 ZCJRZLBPASCAEW-UHFFFAOYSA-N 417.531 3.440 0 40 HGAB COc1ccc2c(c1)N[C@@]1(COC3(CCN(Cc4nccn4C)CC3)C1)c1cccn1-2 72327219 FOWIXOGDGUPHCC-DEOSSOPVSA-N 419.529 3.295 0 40 HGAB Cn1cnc(S(=O)(=O)N2CCC[C@@H]2c2cccc(Cc3cccc(F)c3)n2)c1 72358248 WHLFRTZFOZPQKL-LJQANCHMSA-N 400.479 3.071 0 40 HGAB O=C(Nc1nc(C(=O)N2CCN(c3cccc(Cl)c3Cl)CC2)co1)C1CC1 77099831 SZGFEKDSJOWIAB-UHFFFAOYSA-N 409.273 3.292 0 40 HGAB C[C@@H](CCO)C1(CNC(=O)Cc2csc(NC(=O)c3ccccc3F)n2)CCC1 95987105 OTMQYRWUNBTOMP-AWEZNQCLSA-N 419.522 3.382 0 40 HGAB Cn1cc(CN2CCC3(CC2)C[C@@H](CC(=O)NCC2CC2)c2ccccc2O3)cn1 96053092 KJFOQCYGEZHQIC-HXUWFJFHSA-N 408.546 3.237 0 40 HGAB COc1ccc(CNC(=O)c2nc3c(s2)CCN(C(=O)c2ccccc2)CC3)cc1 96146953 LTKUXXHHFLNDBI-UHFFFAOYSA-N 421.522 3.323 0 40 HGAB COc1cccc(-c2ccc3ccc(-n4ccc(C(=O)N5CCOCC5)n4)n3c2)c1 96155455 BEWCDDBTCJSULF-UHFFFAOYSA-N 402.454 3.273 0 40 HGAB COC(=O)C[C@@H](c1c(O)n[nH]c1Cc1ccccc1)c1cc2ccccc2[nH]c1=O 96230736 VEBVBTKLHYKGGQ-MRXNPFEDSA-N 403.438 3.243 0 40 HGAB CC(C)n1cnc2c1[C@@H](C(=O)N(C)Cc1ccccn1)N(Cc1cccnc1)CC2 96265052 AMSTYQLFGVFIEJ-QFIPXVFZSA-N 404.518 3.012 0 40 HGAB COc1ccc(F)cc1COC(=O)[C@H](CC(C)C)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 103125815 MVXLQTOTPAETMK-BZSNNMDCSA-N 403.450 3.243 0 40 HGAB C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1 106136251 PIMGUNZFOKZYQU-OWCLPIDISA-N 422.367 3.039 0 40 HGAB COc1ccc(/C=C2\SC(=N)N(c3ccc4c(c3)OCO4)C2=O)c(OC)c1OC 111456921 GUZAEHJBSDUEAL-PDYPZJQQSA-N 414.439 3.497 0 40 HGAB CCCc1nc(S/C(=C\c2ccc(I)o2)C(=O)O)n[nH]1 213386535 KKPPLHZFXVLRIC-VURMDHGXSA-N 405.217 3.173 0 40 HGAB CC[C@@H](NC(=O)CCN1C(=O)c2ccccc2S1(=O)=O)c1ccc(C)cc1C 219671638 APBLGEXRNULTGM-GOSISDBHSA-N 400.500 3.106 0 40 HGAB CNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CCCOc1ccc(OC)cc1 222809910 WJUNVUXNZACEKE-QGZVFWFLSA-N 414.502 3.026 0 40 HGAB C[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCc1cccc2ccccc12 222895069 FTZWRSGSBHBQLG-MRXNPFEDSA-N 412.511 3.319 0 40 HGAB Cc1ccc(C(=O)Nc2nnc(SCC(C)C)s2)cc1NS(C)(=O)=O 223287435 VENLEGLZHVHSDH-UHFFFAOYSA-N 400.551 3.218 0 40 HGAB CCc1ccc(CC)c(CNS(=O)(=O)c2nnc(NC(=O)C(C)(C)C)s2)c1 223360653 JEXLLWJEGGPODW-UHFFFAOYSA-N 410.565 3.126 0 40 HGAB CS(=O)(=O)N(CC(=O)NCCSC1CCCC1)c1cccc2ccccc12 224908264 KBKZQFAXDDQKGW-UHFFFAOYSA-N 406.573 3.398 0 40 HGAB COc1cccc(N(CCCC(=O)N[C@@H](C)c2ccccc2C)S(C)(=O)=O)c1 225323048 ZKIIQVPVCWBTHZ-KRWDZBQOSA-N 404.532 3.427 0 40 HGAB Cc1ccc(C)c(N2CCN(C(=O)c3ccc(OCC4CCOCC4)nc3)CC2)c1 239612030 FHYMRFRQVNEABE-UHFFFAOYSA-N 409.530 3.466 0 40 HGAB COc1ccccc1N(CCCC(=O)N[C@H](C)CCc1ccccc1)S(C)(=O)=O 260513002 ZESFAJJBIQLMOV-GOSISDBHSA-N 418.559 3.379 0 40 HGAB C[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)NC(c1ccccc1)c1ccccc1 408581780 AKYAOHCDRMUMDH-MRXNPFEDSA-N 412.486 3.398 0 40 HGAB Cc1ccc(C)n1NC(=O)c1cccc(N2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)c1 408683251 KXIMOPNXNKABQN-HXIANDDZSA-N 401.466 3.046 0 40 HGAB COc1ccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccccc3)[C@H]2c2ccc(C)cc2)cc1 409066944 IBAUOPOGWKTMBV-HFXBMHRVSA-O 414.485 3.020 0 40 HGAB CCC[C@@H](C)NC(=O)CN(c1ccc(OCc2ccccc2)cc1)S(C)(=O)=O 409410857 RGIKKEIQUWUOAL-QGZVFWFLSA-N 404.532 3.336 0 40 HGAB O=C(N[C@@H]1COc2cc(F)c(Br)cc21)c1c[nH]c(C(=O)N2CCCC2)c1 506648212 UEUZZTGWXIGQSN-OAHLLOKOSA-N 422.254 3.016 0 40 HGAB COCc1cccc(-c2cnc3n2CCN(C(=O)c2ccc(N(C)C)cc2)CC3)c1 585111076 CFJNPTIUROGBTP-UHFFFAOYSA-N 404.514 3.461 0 40 HGAB CCCCCCN[C@@H]1C[C@@H](O)[C@H](CO)[C@H]1Cc1ccnc(COc2ccccc2)n1 604382227 LPWDEWKTJGCAIM-SSGKUCQKSA-N 413.562 3.126 0 40 HGAB biogenic,in-vitro COCCCn1c(N)c(S(=O)(=O)c2cccs2)c2nc3ccccc3nc21 2402760 OUKZYTAZNNBGPB-UHFFFAOYSA-N 402.501 3.098 0 40 HGAB COc1ccccc1C(=O)NC(=S)Nc1ccccc1-c1nn2c(C)nnc2s1 2430598 MYUPDJGBFUYPNF-UHFFFAOYSA-N 424.511 3.297 0 40 HGAB O=C(c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1)N1CCN2CCC[C@@H]2C1 2486600 YDPRVLBFSLWEOG-GFCCVEGCSA-N 421.448 3.397 0 40 HGAB CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=S)NCc1ccco1 3412317 FTUZKUVCVQQBCZ-UHFFFAOYSA-N 405.520 3.400 0 40 HGAB CC(C)n1nccc1NC(=O)CSc1ncnc2c1cnn2-c1ccc(F)cc1 31850081 BVPJXIXUPIEYSI-UHFFFAOYSA-N 411.466 3.463 0 40 HGAB COc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4cccnc4)[C@H]3C2=O)cc1 4140188 CAKLGVMOEACNNO-HKBOAZHASA-N 401.422 3.141 0 40 HGAB COc1ccc(-n2c(C)nnc2SCC(=O)NCc2cc3ccccc3n2C)cc1 4973452 UYLCBBHBVUYHHN-UHFFFAOYSA-N 421.526 3.485 0 40 HGAB O=C(COC(=O)CNC(=O)c1ccc(-c2ccccc2)cc1)NCc1cccs1 6028300 PZTCABJFTWZIHF-UHFFFAOYSA-N 408.479 3.005 0 40 HGAB CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NC(C)C)c(C)c2)cc1 7361992 PFPYCFVWYZBLSQ-UHFFFAOYSA-N 406.504 3.098 0 40 HGAB COc1cc(-c2nnc(SCC(=O)Nc3ccccc3)o2)cc(OC)c1OC 8231866 DHNFEDGSNKJKON-UHFFFAOYSA-N 401.444 3.493 0 40 HGAB CCOC(=O)c1cccc(NC(=O)[C@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)c1C 10443472 BRRKADZLSLQTTC-AWEZNQCLSA-N 422.478 3.104 0 40 HGAB CCc1cccc(NC(=O)CSc2nnc(-c3cccc(C)c3)n2CC(N)=O)c1 32741938 AKZIEGQLNDXBPL-UHFFFAOYSA-N 409.515 3.032 0 40 HGAB Cc1cccc(NC(=O)CSc2nnc(-c3ccc4c(c3)OCCO4)c(O)n2)c1 32836326 IRUPEIZNVGTINM-UHFFFAOYSA-N 410.455 3.055 0 40 HGAB O=C(CCC(=O)N1CCC(c2ccccc2)=N1)Nc1cccc(N2CCCC2=O)c1 8156334 TWFOYSXGMXULGL-UHFFFAOYSA-N 404.470 3.169 0 40 HGAB COc1ccc2cc(CNC(=O)Cc3c(C)nc4nc(SC)nn4c3C)ccc2c1 9942101 QUXHYJPPWZSERF-UHFFFAOYSA-N 421.526 3.484 0 40 HGAB COc1ncc(C2(O)[C@H]3CCC[C@H]2CN(Cc2cccc4ncccc24)C3)c(OC)n1 100728448 LQEGXAUNZVLOES-ROUUACIJSA-N 420.513 3.162 0 40 HGAB COc1cccc(-n2c(-c3ccccc3)cnc2SCc2nc(N)nc(N)n2)c1 8135032 ZLTRUAZIRNMUQV-UHFFFAOYSA-N 405.487 3.190 0 40 HGAB COc1cccc(NC(=O)C2=C(C)NC(=S)N[C@H]2c2cc(OC)ccc2OC)c1 641407 VOLITABCBUKMQZ-IBGZPJMESA-N 413.499 3.144 0 40 HGAB O=S(=O)(Nc1ccccc1-n1cnnn1)c1ccc(Cl)c(C(F)(F)F)c1 47328514 PUDAUTWNXBQOGV-UHFFFAOYSA-N 403.773 3.135 0 40 HGAB O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C(=O)N1CN(C(=O)C(F)(F)F)c1ccc(Cl)cc1 100395205 BMFUNSUHUHFQAF-JQOWZUPLSA-N 424.806 3.246 0 40 HGAB CC(=O)CCc1ccc(OC[C@H](O)Cn2cnc3sc(C)c(C)c3c2=O)cc1 23383188 RKYMUBQMSURQOJ-QGZVFWFLSA-N 400.500 3.036 0 40 HGAB Cc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)NCCc1cccc(F)c1 24320706 FCJUTKJXSREGSO-UHFFFAOYSA-N 416.474 3.178 0 40 HGAB C[C@H](NC(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1)[C@@H]1C[C@@H]2CC[C@@H]1C2 103012848 ZUYSEEWWDITFOL-MBPYKEKKSA-N 420.575 3.039 0 40 HGAB Cc1cccc(-n2c(S)nc(O)c([C@@H]3NCCc4c3[nH]c3ccccc43)c2=O)c1 1318071 KJCATAWQFHHVIF-IBGZPJMESA-N 404.495 3.252 0 40 HGAB biogenic O=C(OC[C@@H]1CCCO1)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 24916614 BPXLXZXGINBQND-AWEZNQCLSA-N 422.330 3.116 0 40 HGAB Cc1ccc(C)c(-n2c(=O)c3sccc3n(CC(=O)N3CCCC[C@@H]3C)c2=O)c1 57492560 ZRGZXJLMJVVRMZ-INIZCTEOSA-N 411.527 3.232 0 40 HGAB COc1cc([C@@H]2N[C@@H](C(=O)O)Cc3c2[nH]c2ccccc32)cc(Br)c1O 1803637 OQHIGQNYZKAIPR-ZBFHGGJFSA-N 417.259 3.333 0 40 HGAB biogenic COc1ccccc1NC(=O)[C@H](C)N(C)Cc1ccc(C(=O)NCC(F)(F)F)cc1 27297479 AUCXXVJASFWDCP-AWEZNQCLSA-N 423.435 3.446 0 40 HGAB CCCCCCn1c(=S)[nH]c(O)c([C@H]2NCCc3cc(OC)c(OC)cc32)c1=O 17196099 VVDLPTYJHPVLOF-SFHVURJKSA-N 419.547 3.444 0 40 HGAB O=C(NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1)C1CCN(CC(F)(F)F)CC1 58406830 BVBCPHFHNLGMDN-ZDUSSCGKSA-N 405.411 3.182 0 40 HGAB CN(CCC(=O)NC(=O)NC1CCCC1)CC(=O)Nc1c(Cl)cccc1Cl 12855621 YECKCJDULBZNLJ-UHFFFAOYSA-N 415.321 3.022 0 40 HGAB Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)NCC(=O)Nc1ccc(F)c(F)c1 12804568 LAUTUMXFCSNPGD-LJQANCHMSA-N 417.456 3.173 0 40 HGAB COc1ccc(C)cc1NC(=O)c1ccc2c(=O)n(-c3ccccc3)c(=O)[nH]c2c1 12914114 DHTVANCVPGRRLK-UHFFFAOYSA-N 401.422 3.248 0 40 HGAB Cc1cc(NC(=O)C(c2ccccc2)c2ccccc2)n([C@@H]2CCS(=O)(=O)C2)n1 12921375 HOZJTUACGJGDKI-LJQANCHMSA-N 409.511 3.322 0 40 HGAB COc1ccc(Cl)cc1NC(=O)[C@@H](C)OC(=O)c1cc(=O)[nH]c2ccccc12 3514269 BMWQBDFRWQBIFV-LLVKDONJSA-N 400.818 3.374 0 40 HGAB COc1ccccc1CNC(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1 3615072 FESFVXXMUADWOM-UHFFFAOYSA-N 410.495 3.450 0 40 HGAB O=C(NCc1cc(-c2ccccc2)on1)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O 13236993 MWFYZXDQGIRVPC-LJQANCHMSA-N 404.426 3.318 0 40 HGAB CCn1cnc2c(-c3ccccc3)cn(CC(=O)NCc3ccc(F)cc3)c2c1=O 65113381 PJHWMWZTKHDUKN-UHFFFAOYSA-N 404.445 3.340 0 40 HGAB O=C(Nc1ccc(OC(F)F)cc1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 6328948 KJABCUPDAVIIOV-GFCCVEGCSA-N 404.369 3.051 0 40 HGAB CN(C)C(=O)c1ccc(NC(=O)COC(=O)c2ccccc2NCc2ccco2)cc1 4400264 ITFZKBWCDYKERS-UHFFFAOYSA-N 421.453 3.389 0 40 HGAB CN(c1ccccc1C(N)=O)S(=O)(=O)c1ccc(Br)cc1Cl 14250489 JKZMDILVDUYDOR-UHFFFAOYSA-N 403.685 3.027 0 40 HGAB Cc1nn(C)c2c1[C@@H](c1cccc(F)c1)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N2 6778762 TYMWQFIMJNQHDH-MSOLQXFVSA-N 412.852 3.404 0 40 HGAB O=C(CNC(=O)c1ccc(Cl)cc1Cl)Nc1cccc(N2CCCC2=O)c1 6987741 RXCDVMAFYMNZMB-UHFFFAOYSA-N 406.269 3.489 0 40 HGAB COc1ccc2oc(C(=O)O[C@H](C)C(=O)Nc3sccc3C(N)=O)c(C)c2c1 7258898 SKICBLOPIZPVIS-SNVBAGLBSA-N 402.428 3.094 0 40 HGAB C[C@H]1CS(=O)(=O)N(c2ccc(C(=O)NCCC3=CCCCC3)c(Cl)c2)C1=O 15858308 KFDJVMQZYILAEF-ZDUSSCGKSA-N 410.923 3.273 0 40 HGAB CNC(=O)NC(=O)[C@H](C)Sc1nnc(-c2cccnc2)n1[C@H]1CCCC[C@H]1C 8886688 JRHBKHOLHOKXMV-IPYPFGDCSA-N 402.524 3.028 0 40 HGAB COc1ccc(NC(=O)Cn2nnc(C(=O)Nc3ccc(C)cc3C)c2C)c(OC)c1 71327027 ZPVWDZRUVVUELG-UHFFFAOYSA-N 423.473 3.112 0 40 HGAB Cc1cc(S(=O)(=O)NC(C)C)ccc1OCC(=O)NCc1ccccc1Cl 409387695 AZKDHIZZTGJMTJ-UHFFFAOYSA-N 410.923 3.030 0 40 HGAB CCCCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(Cl)cc1Cl 9425034 CJDSDWOZGWDQQM-UHFFFAOYSA-N 424.332 3.391 0 40 HGAB O=C(CCN1C(=O)CCC1=O)NC1(Cc2ccc(Br)cc2)CCCCC1 84397885 YPIRQYVALDJSDE-UHFFFAOYSA-N 421.335 3.350 0 40 HGAB CCc1cnccc1NC(=O)C1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1 78808886 UBMZOVQHSPUGFL-UHFFFAOYSA-N 401.532 3.300 0 40 HGAB O=C(Nc1cccnc1)C1CCN(c2nc(-c3ccncc3)nc3c2CCC3)CC1 79111707 LLMBOODURZXLBZ-UHFFFAOYSA-N 400.486 3.277 0 40 HGAB CC(=O)Nc1cccc(NS(=O)(=O)c2ccc(NC(=O)NCC(C)C)cc2)c1 408584482 QKEXYKHRSGYQOZ-UHFFFAOYSA-N 404.492 3.223 0 40 HGAB C[C@@H]1CN(C(=O)NCc2ccccc2)CC[C@@]12CC[C@@H](C(=O)Nc1cccnc1)O2 306124514 BSFZYYBQXFAIEY-MONBJTKQSA-N 408.502 3.190 0 40 HGAB CC[C@@H](C(=O)N[C@@H](C)c1ccc(OC)cc1)N(c1ccc(F)cc1)S(C)(=O)=O 22510039 CUIXJJLLBXAQRX-LIRRHRJNSA-N 408.495 3.256 0 40 HGAB CCOc1ccc(C(=O)Nc2cc(C)ccc2OC)cc1S(=O)(=O)N1CCCC1 408698910 STODLONFBLSKCR-UHFFFAOYSA-N 418.515 3.439 0 40 HGAB Cc1ccc(SCCNC(=O)Cc2ccc(S(=O)(=O)N3CCCC3)s2)cc1 32740640 XYZVBWGTGPDBRV-UHFFFAOYSA-N 424.613 3.292 0 40 HGAB CN1CC[C@H](c2c(C(=O)NC3CCN(C(=O)C4CC4)CC3)sc3ccccc23)C1 72352562 BOMXRRLDJZLMOJ-INIZCTEOSA-N 411.571 3.451 0 40 HGAB CC(=O)Nc1cc(C(=O)N[C@H](c2cnn(C)c2)C2(CO)CCC2)cc(C(F)(F)F)c1 557002289 OTZZECXHMCVVLN-QGZVFWFLSA-N 424.423 3.031 0 40 HGAB O=C(CCc1ccc2c(c1)OCO2)N1CCN(CCOc2ccc(Cl)cc2)CC1 32845797 NRWGHQVAQISZPC-UHFFFAOYSA-N 416.905 3.225 0 40 HGAB COc1cccc(CNC(=O)C2CCN(Cc3nc(-c4ccccc4)no3)CC2)c1 40930037 BEUXGYOYZRDZQL-UHFFFAOYSA-N 406.486 3.274 0 40 HGAB Cc1ccc(OCCNC(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)cc1C 223633480 VCXZHQWPWNXYLZ-UHFFFAOYSA-N 418.559 3.388 0 40 HGAB COc1cn(-c2ccccc2)nc1C(=O)N1CCN(CCSc2ccccc2)CC1 40115306 AVYOKKRNAYKTNE-UHFFFAOYSA-N 422.554 3.431 0 40 HGAB COCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccccc1OC 222999728 YZCQMJLFEBAUCF-RTWAWAEBSA-N 408.527 3.500 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCc3cc(C(=O)NCCCOC(C)C)ccc32)cc1 223069236 CLMUPPPFYMMPNW-UHFFFAOYSA-N 416.543 3.291 0 40 HGAB CC[C@H](NC(=O)[C@@H]1CN(S(C)(=O)=O)c2ccccc2O1)c1ccc(C)cc1C 44856729 UOBWZHRRPMKXLZ-PXNSSMCTSA-N 402.516 3.098 0 40 HGAB Cc1nc2c(c(N3CCC(NC(=O)c4cc(=O)c5ccccc5o4)CC3)n1)CCCC2 225738553 HZBIGSDZZIDNTI-UHFFFAOYSA-N 418.497 3.169 0 40 HGAB COc1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)c1 223279357 JDWPKDMXEUHNTN-FCHUYYIVSA-N 421.570 3.415 0 40 HGAB COc1cccc(-c2noc(CNC(=O)[C@H]3CCCN(Cc4ccc(F)cc4)C3)n2)c1 222599865 SOGPNFKEDWBNRL-SFHVURJKSA-N 424.476 3.413 0 40 HGAB C[C@@H](C(=O)NC[C@@H]1CCCO1)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1 222921213 ZFIOEKIDEGUPML-AVRDEDQJSA-N 412.505 3.471 0 40 HGAB Cc1cccc(CSCCNC(=O)c2ccc(C)c(N(C)S(C)(=O)=O)c2)c1 222452031 PGJRGNNSNLKOFU-UHFFFAOYSA-N 406.573 3.362 0 40 HGAB COC[C@]1(C(N)=S)[C@H](c2ccc(F)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 242473271 FEMCYQTXYCHKMX-NUJGCVRESA-N 413.923 3.338 0 40 HGAB CC(C)(C)OC(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1CCCc1cc(O)[nH]n1 257283213 OXFZNQCMEIMOQF-MJGOQNOKSA-N 400.523 3.463 0 40 HGAB NC(=O)C[C@H]1CN(C(=O)COc2cccc(F)c2)CC[C@@H]1Oc1ccc(Cl)cc1 257341478 ZKNCTVUKJQYLEA-LIRRHRJNSA-N 420.868 3.029 0 40 HGAB CCOc1ccccc1N1C[C@H](C(=O)N2CCCc3cc(OC)ccc3C2)CC1=O 590735225 HQMJXWNSEUQEIZ-LJQANCHMSA-N 408.498 3.422 0 40 HGAB Cn1ccnc1[C@H](NC(=O)NCC[C@](C)(O)c1ccccc1)c1ccc(F)cc1F 1684597936 PMOMFTUFOXKVMG-KNQAVFIVSA-N 414.456 3.385 0 40 HGAB COc1ccc(OC)c(-c2cc(C(=O)NCc3cc(-c4ccco4)n(C)n3)n(C)n2)c1 90607016 VNKDCMOJSKMFNX-UHFFFAOYSA-N 421.457 3.028 0 40 HGAB COC[C@H](C)Oc1ccc(CN2CCN(Cc3nc(-c4ccccc4)no3)CC2)cc1 1179984841 VLOOJXCBBMOSCC-IBGZPJMESA-N 422.529 3.468 0 40 HGAB CCCN1CCN(CCC(N)=O)C[C@@H](Cc2ccccc2-c2ccc(C)cc2)C1=O 585172750 DZBPCVWVGVFZCL-JOCHJYFZSA-N 407.558 3.250 0 40 HGAB CC(=O)Nc1ccc(CN2CCC[C@@H](c3cc(=O)[nH]c(-c4ccncc4)n3)C2)cc1 72392931 NANXDBHNDPYMGS-LJQANCHMSA-N 403.486 3.170 0 40 HGAB O=S(=O)(NC1CCN(CCOc2ccc(F)cc2)CC1)c1ccc2c(c1)CCC2 79062414 UULUFODTSGVLKE-UHFFFAOYSA-N 418.534 3.136 0 40 HGAB O=C(CN1C(=O)[C@@H]2CCCC2=Nc2ccccc21)N1CCN(c2ccccc2F)CC1 101945652 UMXUXFWEISHECS-QGZVFWFLSA-N 420.488 3.394 0 40 HGAB CCc1ccccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 5878582 FTRKNZGBODXSDZ-OAHLLOKOSA-N 400.862 3.437 0 40 HGAB Cc1cc(-c2ccccc2)[n+](-c2nnc(S(N)(=O)=O)s2)c(-c2ccccc2)c1 5534458 ZIPHEPIUBLTQFI-UHFFFAOYSA-N 409.516 3.105 0 40 HGAB COc1ccc2c(c1)O[C@@]1(C[C@H]3CC[C@@H]1C[C@@H]3C(=O)NCc1ccc(F)cc1)NC2=O 12185292 NNELNDWZICFSLK-QQIMEZCUSA-N 424.472 3.405 0 40 HGAB Cc1cc(C(F)(F)F)c2c(C)nn(CC(=O)N3CCN(c4ccccc4)CC3)c2n1 17091030 BQBCIHBTNCIQHJ-UHFFFAOYSA-N 417.435 3.416 0 40 HGAB O=C1CCOC[C@]2(CN(Cc3ccccc3OC3CCCC3)C[C@H]2c2cccnc2)N1 19349467 IPGJPGJVAPPNSZ-DHLKQENFSA-N 421.541 3.278 0 40 HGAB COc1ccc(N([C@H](C)C(=O)N[C@@H]2CCCc3ccccc32)S(C)(=O)=O)cc1 19933796 NEFBBICZJHSSOB-FOIQADDNSA-N 402.516 3.044 0 40 HGAB CCOC(=O)[C@@](NC(=O)c1ccccc1Cl)(Nc1ccccn1)C(F)(F)F 19938831 XIDCOIQJGXVSGM-INIZCTEOSA-N 401.772 3.399 0 40 HGAB C[C@@H](CCC(=O)O)[C@@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3C[C@H](O)[C@]12C 2060993464 BHQCQFFYRZLCQQ-ZVQWGSIQSA-N 408.579 3.449 0 40 HGAB O=C(CSc1nnc(NC(=O)c2cccs2)s1)NCc1ccc(F)cc1 4328660 MCSOEZITTQAPKG-UHFFFAOYSA-N 408.505 3.400 0 40 HGAB CC(C)CS(=O)(=O)Nc1ccc2c(c1)CCCN2S(=O)(=O)c1ccccc1 5099686 JPPROIMNCLAADA-UHFFFAOYSA-N 408.545 3.226 0 40 HGAB COc1ccc(-c2noc(CS(=O)(=O)c3ccc(Cl)s3)n2)cc1OC 23126418 ZMBAGDNBCRJFBN-UHFFFAOYSA-N 400.865 3.443 0 40 HGAB Cn1nc(-c2ccccc2)cc1C(=O)N1CCN(C(=O)[C@H]2C[C@@H]2c2cccs2)CC1 38730949 MPQQJFQHPXDIHB-ROUUACIJSA-N 420.538 3.237 0 40 HGAB O=C(NC1CCN(C(=O)c2cn(-c3ccc(Cl)cc3)nn2)CC1)C1CCCCC1 49406206 GLSNSOCQWUXWLQ-UHFFFAOYSA-N 415.925 3.222 0 40 HGAB COC(=O)c1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCN(C)C)cc1 5215664 XBOFVEGFULKZJD-FQEVSTJZSA-N 420.465 3.077 0 40 HGAB O=c1/c(=C\C2=Cc3ccccc3OC2)sc2nc(/C=C/c3ccc(F)cc3)nn12 5215221 ZEWAMPUUVCHESE-PFPWIQQFSA-N 403.438 3.436 0 40 HGAB CS(=O)(=O)c1ccc(S(=O)(=O)Oc2ccc(C3SCCS3)cc2)cc1 40058474 QLYTZISNENOGQC-UHFFFAOYSA-N 416.567 3.336 0 40 HGAB O=C(NCCc1ccccc1F)C1CCN(C(=O)Nc2nnc(C3CC3)s2)CC1 40119138 RNOUPCDSFBMEOT-UHFFFAOYSA-N 417.510 3.157 0 40 HGAB COc1cc([C@H]2CC(O)=Nc3c2ncn3-c2ccccc2F)ccc1OCC(N)=O 40287247 YXJVWXCRDMKHKX-CYBMUJFWSA-N 410.405 3.008 0 40 HGAB CCc1nnc(NC(=O)CSc2nnc(-c3ccc(OC)cc3)n2CC)s1 873197 TYPNUOSGWQVVTC-UHFFFAOYSA-N 404.521 3.118 0 40 HGAB Cc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)Nc2cccc(O)c2)cc1 949136 QDCCQKRPFNHKPA-QFIPXVFZSA-N 422.506 3.455 0 40 HGAB CCOC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1ccc(OCc2ccc(C)cc2)cc1 956277 QGCFCMKVRJAGHW-HXUWFJFHSA-N 405.458 3.413 0 40 HGAB O=S(=O)(c1ccccc1)N1CCC(c2cc(-c3ccc4c(c3)OCO4)[nH]n2)CC1 1399741 BSPGANZNUVJITO-UHFFFAOYSA-N 411.483 3.374 0 40 HGAB Cc1c(OCC(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)ccc2c3c(c(=O)oc12)CCC3 2111745 OALWAJUQFFMZPU-VOIUYBSRSA-N 411.498 3.123 0 40 HGAB biogenic CC(C)(C)C(=O)N[C@H](N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2)C(Cl)(Cl)Cl 2129604 PPEDLGLAIQXYQN-SLEUVZQESA-N 420.768 3.126 0 40 HGAB CC(C)OP(=O)(OC(C)C)[C@H](NC(=O)c1ccccc1Br)C(N)=O 2270379 VYNSWUBTPCCRKL-HNNXBMFYSA-N 421.228 3.033 0 40 HGAB CCCSc1nc2sc3c(c2c2nnc(SCC(N)=O)n12)CC(C)(C)OC3 2379051 BSIWVLKPAOSQPP-UHFFFAOYSA-N 423.589 3.270 0 40 HGAB Cc1cc2oc(=O)cc(COC(=O)CCc3nc4ccccc4c(=O)[nH]3)c2cc1C 2649435 ZEALFQFHFVJBLW-UHFFFAOYSA-N 404.422 3.322 0 40 HGAB CCOC(=O)c1c(-c2ccccc2)csc1N[C@](O)(C(=O)OC)C(F)(F)F 3191256 LVGKAKZQYDZHTG-INIZCTEOSA-N 403.378 3.428 0 40 HGAB COc1ccc(C)cc1NC(=O)CSc1nnc(C[C@H](C)c2ccccc2)n1N 3433056 VNZYUHXGAPFWTF-HNNXBMFYSA-N 411.531 3.386 0 40 HGAB CCOC(=O)c1c(CC(C)C)csc1NC(=O)COC(=O)c1cnc(C)cn1 3513263 LBPCWPIFRKYCPH-UHFFFAOYSA-N 405.476 3.017 0 40 HGAB CCC[C@@H](OC(=O)C[C@@H]1Sc2ccccc2NC1=O)C(=O)NCc1ccco1 4356171 AJKPYYLFIDRKBF-WBVHZDCISA-N 402.472 3.111 0 40 HGAB O=C(C[C@@H]1C(=O)N(c2ccccc2)C(=O)N1Cc1cccnc1)Nc1ccccc1 4738697 IIDRPBTZFNIVTF-HXUWFJFHSA-N 400.438 3.448 0 40 HGAB COc1cccc(NC(=O)c2cccc(NC(=O)[C@@H]3[C@H]4C(=O)O[C@@H]5C[C@H]3C[C@H]45)c2)c1 5049145 KUJQXIDRWVCJCT-UQSIQIAASA-N 406.438 3.084 0 40 HGAB CCSc1ccccc1C(=O)Nc1sc2c(c1C(N)=O)CCN(C(=O)OC)C2 5255360 UCJGVSURIBQWIE-UHFFFAOYSA-N 419.528 3.336 0 40 HGAB CSCC[C@H](NC(=O)N1CCn2c1nc1ccccc12)C(=O)NC1CCCCC1 5485425 LNDJARFYPJMJRS-KRWDZBQOSA-N 415.563 3.137 0 40 HGAB COc1ccc(/C=C/C(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)cc1OC 5636432 YKFYGOAKUMCMCN-PKNBQFBNSA-N 416.499 3.140 0 40 HGAB COc1ccc(CN2C(=O)/C(=C\NCCCn3ccnc3)c3ccccc3C2=O)cc1 5988145 FOWGTFYXRUYNJX-JCMHNJIXSA-N 416.481 3.095 0 40 HGAB Cc1cc(C)c(NC(=O)COc2ccccc2[C@@H]2CC(=O)Nc3ncnn32)c(C)c1 6201332 NTUIQWMKLOJLIX-KRWDZBQOSA-N 405.458 3.152 0 40 HGAB COc1ccc(/C=C/C(=O)N2CCN(c3ccccc3F)CC2)c(OC)c1OC 6247852 BYFSGPSZLKICFT-PKNBQFBNSA-N 400.450 3.214 0 40 HGAB CCOc1ccc([C@H]2c3c(-c4c(C)cc(C)cc4O)n[nH]c3C(=O)N2CCO)cc1 6743222 YHGCQHVVXFYICL-QFIPXVFZSA-N 407.470 3.335 0 40 HGAB C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)N(C)Cc1ccc(F)cc1 6786852 TYZBRDJWHVWPTI-MRXNPFEDSA-N 419.522 3.069 0 40 HGAB CCN(CC(=O)NCc1cccs1)S(=O)(=O)c1ccc(C(F)(F)F)cc1 7215592 CALMXEOEFMSAAC-UHFFFAOYSA-N 406.451 3.094 0 40 HGAB C[C@H](NC(=O)CN1C(=O)CCOc2ccccc21)c1ccccc1Br 8022114 MUAQHRUZBBAHBU-ZDUSSCGKSA-N 403.276 3.442 0 40 HGAB CCn1c(CN2CC[C@@H]3CCCC[C@@H]3C2)nc2cc(S(=O)(=O)N(C)C)ccc21 8424948 VJUALCDTAIBMKL-DLBZAZTESA-N 404.580 3.319 0 40 HGAB Cc1ccc(NC(=O)Cn2nc(CNC(=O)c3ccccc3C)n(C)c2=S)cc1C 8570978 FINWERRFKUUHFR-UHFFFAOYSA-N 423.542 3.445 0 40 HGAB COc1ccc2[nH]c(=O)c(-c3noc(-c4cc(OC)c(OC)c(OC)c4)n3)cc2c1 9185557 ZDVLINPLDXBUDE-UHFFFAOYSA-N 409.398 3.280 0 40 HGAB COC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)C1CCC(C(C)C)CC1)C(C)C 9195367 UNDRKYUJVWENLP-FOIPXRHGSA-N 414.612 3.001 0 40 HGAB CCCc1cnc2c(c1SCC(=O)c1ccc(Cl)cc1)c(=O)n(C)c(=O)n2C 10216920 HJQKSHSKJNREMF-UHFFFAOYSA-N 417.918 3.213 0 40 HGAB Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)N1CCN(c2nccs2)CC1 11188132 WUVYNYINSVOOLC-UHFFFAOYSA-N 420.542 3.237 0 40 HGAB CCCn1c(Cc2ccccc2)nnc1SCC(=O)N[C@H](CC(C)C)C(=O)OC 11973461 HDHNZFYBRVIOPX-QGZVFWFLSA-N 418.563 3.075 0 40 HGAB O=c1ccc(-c2cccs2)nn1CC1(O)CCN(Cc2ccc(F)cc2F)CC1 12186610 DUSSXDUJWZQVBZ-UHFFFAOYSA-N 417.481 3.277 0 40 HGAB COc1ccc2cnc(C3CCN(CC(=O)[C@@H](C)N4CCCC4=O)CC3)cc2c1C 12188146 AGHDWAJNISEWAJ-QGZVFWFLSA-N 409.530 3.311 0 40 HGAB Cc1cc(NC(=O)CCn2cnc3c(cnn3C(C)(C)C)c2=O)c2ccccc2n1 12440148 QOUZKTAPEYAVGJ-UHFFFAOYSA-N 404.474 3.233 0 40 HGAB Cc1cc(=O)oc2cc(OCC(=O)N3CCC[C@@H](C(=O)Nc4ccccc4)C3)ccc12 12847223 GAJBGPUFWJEXMF-QGZVFWFLSA-N 420.465 3.358 0 40 HGAB Nc1nc(COC(=O)c2ccc(-n3cccn3)cc2)nc(Nc2ccc(Cl)cc2)n1 12860919 SWVQETCNNZQTNS-UHFFFAOYSA-N 421.848 3.394 0 40 HGAB O=C1CCCN1c1ccc(CNS(=O)(=O)c2ccccc2Br)cc1 12909976 UCNXXUHYKNALRD-UHFFFAOYSA-N 409.305 3.054 0 40 HGAB O=C(c1csc2c1CCCC2)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 12930429 JBOJHKSJHBZUOS-UHFFFAOYSA-N 424.975 3.427 0 40 HGAB CC(=O)OC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccn3)C(=O)[C@H]12 13214558 RNLFYMBCRTUCSB-LQDNNDEMSA-N 410.429 3.153 0 40 HGAB Cc1ncc(-c2ccccn2)c(-c2ccc(CNC(=O)c3ccn(C)c(=O)c3)cc2)n1 13228163 BTSXLDJFZYYARA-UHFFFAOYSA-N 411.465 3.143 0 40 HGAB COc1cccc(CNC(=O)C[C@@H]2CCCCN2S(=O)(=O)c2cccs2)c1 15391338 QNRFFZLBZIELIF-INIZCTEOSA-N 408.545 3.006 0 40 HGAB CCS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)c3cc(C)ccc3C)cc21 15781515 NBOWQDPNTKANRB-UHFFFAOYSA-N 408.545 3.207 0 40 HGAB NC(=O)c1c(NC(=O)CCS(=O)(=O)c2ccc(F)cc2)sc2c1CCCCC2 16047983 SQUZHIZIMGGJKA-UHFFFAOYSA-N 424.519 3.058 0 40 HGAB CNS(=O)(=O)c1ccc(CCC(=O)NC(c2ccccc2)c2ccccc2)cc1 16636679 FBYTUQFTWUXZHB-UHFFFAOYSA-N 408.523 3.433 0 40 HGAB Cc1ccc(C(=O)N2CCCC[C@@H]2c2nc(O)c3c(n2)CCN(C(=O)C2CC2)C3)cc1 19135431 VQQLBKVCPDTLLW-HXUWFJFHSA-N 420.513 3.153 0 40 HGAB COc1ccc(CC(=O)N2CCC(c3nc(-c4ccsc4)cc(=O)[nH]3)CC2)cc1 19554113 UAIUBCSNXKQFGR-UHFFFAOYSA-N 409.511 3.456 0 40 HGAB COCCNC(=O)c1sc2ncccc2c1[C@@H]1CCN(Cc2cnc(C)s2)C1 19702526 MQLJHUFSQSZEJQ-CQSZACIVSA-N 416.572 3.427 0 40 HGAB COc1cccc(C(=O)CSc2nnc(Cc3ccc(Cl)cc3)c(=O)[nH]2)c1 19897642 NIAQOEMIVOSHHD-UHFFFAOYSA-N 401.875 3.393 0 40 HGAB CCCCNS(=O)(=O)c1ccc(OCC(=O)N[C@@H]2CCCc3ccccc32)cc1 20020832 YGJURVYDOWVYAQ-OAQYLSRUSA-N 416.543 3.338 0 40 HGAB CNC(=O)c1cc2cc(N(C)S(=O)(=O)c3cc(C)ccc3OC)ccc2s1 20448206 RFSFLYYJMIFWID-UHFFFAOYSA-N 404.513 3.403 0 40 HGAB COc1ccc(-c2cc(C(=O)NC[C@@H](c3ccc(C)cc3)N3CCOCC3)no2)cc1 21805342 KLIPCKCRMKTFFL-QFIPXVFZSA-N 421.497 3.462 0 40 HGAB Cc1ccccc1N1C(=O)C[C@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1=O 21817040 XTHJVNSNWPWJCS-IBGZPJMESA-N 417.431 3.468 0 40 HGAB C[C@@H](C(=O)Nc1ccc(F)cc1Cl)N1CCN(Cc2ccc3c(c2)OCO3)CC1 22877717 CAIUPXHXPQBOBL-AWEZNQCLSA-N 419.884 3.353 0 40 HGAB C[C@H](C(=O)Nc1ccc(NC(=O)Cc2c(F)cccc2Cl)cc1)n1cncn1 24704673 SLHOOJWATWFION-GFCCVEGCSA-N 401.829 3.452 0 40 HGAB CCC[C@H](C)NC(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Br 25241447 LEDYSZHCKRSSCO-NSHDSACASA-N 405.358 3.444 0 40 HGAB CCOC(=O)N1CCC[C@@H](C(=O)N(CC)CC(=O)Nc2cc(Cl)ccc2C)C1 30549990 ATTALRFWDWXJRT-OAHLLOKOSA-N 409.914 3.304 0 40 HGAB CN(CC(=O)NCCSCc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 32341252 MCHSKCOZVWEJIB-UHFFFAOYSA-N 412.964 3.010 0 40 HGAB Cc1ccc(CNC(=O)c2cc(-c3ccc(C)cc3)n([C@@H]3CCS(=O)(=O)C3)n2)cc1 33325523 PKYCLJXVOCCUSK-HXUWFJFHSA-N 423.538 3.457 0 40 HGAB CCc1ccc2[nH]c3nc(SCC(=O)NCc4ccc5c(c4)OCO5)nnc3c2c1 35312607 GSUPLOHUPIKFNT-UHFFFAOYSA-N 421.482 3.206 0 40 HGAB Cc1ccc(C(=O)[C@H]2[C@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@@H]3[C@H]3CCCN32)cc1 35349293 CEAHITVAIUOWIK-YSTOQKLRSA-N 408.885 3.484 0 40 HGAB Cc1ccc(C)c(N2N=C(C(=O)O[C@@H](C)C(=O)N[C@@H]3CCCC[C@@H]3C)CCC2=O)c1 36386143 GSGVHHVLWDPDBS-RYQLBKOJSA-N 413.518 3.413 0 40 HGAB CCn1nccc1CNC(=O)c1cc(-c2ccc(OC)cc2)nc2c1c(C)nn2C 36613458 IPTCMDOCXVPHOL-UHFFFAOYSA-N 404.474 3.099 0 40 HGAB COc1ccc(-c2cc(C(=O)NC[C@H](C)Cn3ccc(C)n3)c3cnn(C)c3n2)cc1 36613554 PNGOYUUJWVYHJI-HNNXBMFYSA-N 418.501 3.215 0 40 HGAB Cc1cc(C)n(C[C@@H](C)NC(=O)c2cc(-c3ccc(Cl)cc3)nc3ncnn23)n1 36619400 DOBOBSUKMMDAHB-CYBMUJFWSA-N 409.881 3.077 0 40 HGAB Cc1c(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cnn1-c1ccccc1F 37143305 WJKSRRBTHIFDJK-UHFFFAOYSA-N 422.460 3.007 0 40 HGAB Cn1cc(CC(=O)N2CCN(C(=O)[C@@H]3C[C@@H]3c3ccc(F)cc3)CC2)c2ccccc21 38729752 JUGDKBMEEAOFIG-FGZHOGPDSA-N 419.500 3.334 0 40 HGAB CCN(C(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1CC)C1CCCC1 40070964 HDPGAAPJJDDXJW-UHFFFAOYSA-N 420.579 3.030 0 40 HGAB CSc1ncc(Cl)c(C(=O)NCc2ccc(CN3C[C@@H](C)O[C@H](C)C3)cc2)n1 40087460 JOEWSSGDVQGQRG-ZIAGYGMSSA-N 420.966 3.391 0 40 HGAB COc1cccc([C@H](NC(=O)NCCCCN2CCC[C@@H](C)C2)c2nccn2C)c1 45304479 KUVNYZCDZPGCQN-NQIIRXRSSA-N 413.566 3.329 0 40 HGAB O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cccc2cn[nH]c12 54017837 AAVNGLICMAFXFW-UHFFFAOYSA-N 404.392 3.348 0 40 HGAB CC(=O)N1CCCc2cc(S(=O)(=O)NCc3cccc(OC(C)C)c3)ccc21 56104335 RIOQCHMBRQQMPP-UHFFFAOYSA-N 402.516 3.251 0 40 HGAB O=C(COc1ccc(Cl)cc1Cl)NCCN1CCN(c2ccccc2)CC1 56997143 QYXLZMQYLBXEPX-UHFFFAOYSA-N 408.329 3.311 0 40 HGAB CCc1c(C(=O)NCC(=O)NCCc2ccccc2)cnn1-c1cccc(Cl)c1 58157905 POMJLERNTFPNKZ-UHFFFAOYSA-N 410.905 3.177 0 40 HGAB O=C(Nc1cc(F)ccc1C(=O)NCc1ccnc(-n2cccn2)c1)c1ccoc1 58202079 HYXIYLIMLWBYPA-UHFFFAOYSA-N 405.389 3.182 0 40 HGAB CCCS(=O)(=O)Nc1ccccc1C(=O)N1CCC[C@H](CN2CCC(C)CC2)C1 60275687 PHSHQYQZEDXECA-LJQANCHMSA-N 421.607 3.422 0 40 HGAB C[C@](O)(CCc1ccccc1)CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 61975996 YTZIVGZVBWQEHW-KRWDZBQOSA-N 403.422 3.247 0 40 HGAB CCN(Cc1ccccc1)C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1 64677547 GPAXRBYSUMEZNL-FQEVSTJZSA-N 400.544 3.444 0 40 HGAB Cc1ccc(C)c([C@H]2NC(=O)N(CC(=O)NCCC3=CCCCC3)C3=C2C(=O)OC3)c1 67288636 OYOWNQJFVNLSLX-JOCHJYFZSA-N 423.513 3.187 0 40 HGAB Cc1cc(S(=O)(=O)NC[C@H](c2cccs2)N(C)C)ccc1Br 69082808 BGVATSJPVSYOLQ-CQSZACIVSA-N 403.367 3.400 0 40 HGAB CCOc1ccccc1NC(=O)Cn1nnc(C(=O)Nc2cccc(C)c2C)c1C 71327303 RMRPGOAKTOBWQF-UHFFFAOYSA-N 407.474 3.493 0 40 HGAB COc1ccc(C2=NC(C)(C)N(CC(=O)N[C@H](C)CCc3ccccc3)C2=O)cc1 71327828 VNNLCKIKRVOPFK-QGZVFWFLSA-N 407.514 3.200 0 40 HGAB C[C@H](NC(=O)c1ccccc1)C(=O)N1Cc2cc3c(cc2C2(CCCC2)C1)OCCO3 71793344 HCYAWRRSBOILGY-KRWDZBQOSA-N 420.509 3.430 0 40 HGAB Cc1cc(Cc2cccc(F)c2)cc([C@@H]2CCCN(C(=O)c3ccc(=O)n(C)n3)C2)n1 72354130 JRQGGELODWNNIM-LJQANCHMSA-N 420.488 3.233 0 40 HGAB CC(=O)N1CCC(c2nc3c(c(N(C)CCCc4ccccc4)n2)CN(C)CC3)CC1 72372294 NIQNODKKDCGNKG-UHFFFAOYSA-N 421.589 3.259 0 40 HGAB CC(C)CC(=O)N1CCO[C@](Cc2ccccc2-c2cccnc2)(C(=O)N(C)C)C1 72389021 CFVIUOWFMZEMEZ-DEOSSOPVSA-N 409.530 3.023 0 40 HGAB COc1cccc(NC2=NC(=O)S/C2=C\c2ccc(OC)c(OCC(N)=O)c2)c1 72401417 BERWYKLUTBGUQP-MFOYZWKCSA-N 413.455 3.286 0 40 HGAB CCN(C[C@@H](CC(C)C)NC(=O)Cc1cccc(O)c1)C(=O)Cc1cccc(O)c1 95436796 XVJZELDYPQFZMV-HXUWFJFHSA-N 412.530 3.262 0 40 HGAB CC(C)n1cc(CC(=O)NCCS(=O)(=O)c2ccc(F)cc2)c2ccccc21 95475207 ZEUKHRBFOVAEIL-UHFFFAOYSA-N 402.491 3.494 0 40 HGAB COC(=O)c1ccc(C)c(NC(=O)N(C)[C@H]2CS(=O)(=O)c3ccc(Cl)cc32)c1 97020595 XWAUITGEWSKOPU-INIZCTEOSA-N 422.890 3.427 0 40 HGAB CNC(=O)[C@@H]1CCCC[C@H]1NCC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1 97165608 PAXTVTCSQVBMRE-QZTJIDSGSA-N 411.550 3.003 0 40 HGAB O=C(COC(=O)c1cccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1)c1ccc(F)cc1 101226688 ZXDKABSUMMRFPJ-LATRNWQMSA-N 419.408 3.177 0 40 HGAB O=C(N[C@@H]1[C@H]2CCc3ccccc3[C@@H]21)c1ccc(S(=O)(=O)Nc2ccncc2)cc1 101747450 JLLAFYWNEHASGN-FDFHNCONSA-N 419.506 3.341 0 40 HGAB CCc1c(C)nc2n(c1=O)[C@@H](c1ccc(O)c(OC)c1)N=C(Nc1ccc(F)cc1)N2 101981824 JBSCORMMTWIWPL-IBGZPJMESA-N 423.448 3.408 0 40 HGAB COC(=O)C1=C(c2ccc(Cl)cc2)NC(=S)N[C@H]1c1ccc(OC)c(OC)c1 105093873 ZTOLYPKEUBWVBT-SFHVURJKSA-N 418.902 3.460 0 40 HGAB COC(=O)C[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@@H](O)[C@@]21C)[C@@]1(C)CC[C@H](O)C[C@@H]1C[C@H]3O 118932384 KLXPQIAGNBJJFR-HZYSRDACSA-N 408.579 3.147 0 40 HGAB O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)NCCc1ccc(F)cc1 137751423 JEVTVSVEQMOCPN-UHFFFAOYSA-N 412.486 3.380 0 40 HGAB CC[C@@H]1CCCCN1c1nc(=O)c2c([nH]1)NC(=O)C[C@H]2C(=O)Nc1ccc(C)cc1C 139120300 DCJCPKWMUWTVKI-HZPDHXFCSA-N 423.517 3.220 0 40 HGAB CCOCCCNc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2)cc1C(=O)O 217612428 VRCVVZZJVRNYSH-HNNXBMFYSA-N 406.504 3.263 0 40 HGAB O=S(=O)(Nc1ccccc1F)c1ccc(NS(=O)(=O)c2cccs2)cc1 223756137 PUEQZLXNILVGFZ-UHFFFAOYSA-N 412.489 3.489 0 40 HGAB O=S(=O)(NCc1nccc(N2CCCCC2)n1)c1cc(Cl)ccc1Cl 224165420 NRCFTAASTQNWEP-UHFFFAOYSA-N 401.319 3.252 0 40 HGAB COc1ccc(C(=O)Nc2cc(S(=O)(=O)NC(C)C)ccc2OC)cc1Cl 225332368 ROCHKFQJSFIWFN-UHFFFAOYSA-N 412.895 3.296 0 40 HGAB CNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)Cc1ccc(F)cc1 225469508 AATZGSLJDXGKCT-ZDUSSCGKSA-N 407.283 3.294 0 40 HGAB CCN(CC(=O)N1CCc2cc(Br)ccc21)S(=O)(=O)c1ccccc1 226053635 XWQOCMGNBQDGFG-UHFFFAOYSA-N 423.332 3.049 0 40 HGAB O=C(NC[C@@](O)(c1ccco1)c1cccs1)C(=O)Nc1ccccc1C(F)(F)F 238839342 HMJGZGFIPLDHRB-GOSISDBHSA-N 424.400 3.351 0 40 HGAB CC(=O)N1[C@@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)c1nccn1C 257202876 ANUIJYYNSNVIIT-CZLVRFMKSA-N 420.557 3.426 0 40 HGAB Cc1nccn1-c1cccc([C@@H]2CCCN2C(=O)c2cccc(OCCN(C)C)c2)n1 257278904 OEDGQJPQOMBTJQ-QFIPXVFZSA-N 419.529 3.493 0 40 HGAB Cc1noc(C)c1CC(=O)N1CC[C@@](O)(CC(C)C)[C@@H](Oc2cccc(F)c2)C1 257335995 YMSBGUIWLGQENV-RBBKRZOGSA-N 404.482 3.430 0 40 HGAB CC[C@@H](C(=O)N[C@H](C)c1ccccc1OC)N(c1cccc(OC)c1)S(C)(=O)=O 260790522 CJUJGRFOZNMFJN-BEFAXECRSA-N 420.531 3.126 0 40 HGAB COc1cccc(-c2cnc3c(N4CCN(Cc5scnc5C)CC4)nccn23)c1 306135176 OKFKHNRBVROFIU-UHFFFAOYSA-N 420.542 3.492 0 40 HGAB CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@@H](C)c3ccccc3)C2)cc1 408558688 SNRMSPPFLSGHKI-HKUYNNGSSA-N 416.543 3.363 0 40 HGAB COc1ccc(S(=O)(=O)NCc2ccccc2C)cc1C(=O)N1CCC(C)CC1 408706409 OALYUVMEAIXVKN-UHFFFAOYSA-N 416.543 3.354 0 40 HGAB O=C(N[C@@H]1C(=O)N/[N+](=C\c2ccccc2Cl)[C@H]1c1ccccc1)c1ccc(F)cc1 409059906 YKNAWCUOBNXHSF-ZCEBDVNOSA-O 422.867 3.495 0 40 HGAB Cc1csc(N2CCN(C(=O)c3ccc(-c4noc(C(F)(F)F)n4)cc3)CC2)n1 500196418 FQPTZADJINAYGQ-UHFFFAOYSA-N 423.420 3.483 0 40 HGAB O=S1(=O)C[C@@H](O)[C@@H](N(Cc2ccccc2)C(c2ccccc2)c2ccccc2)C1 575423369 ZYFOLGCUEUKEHV-XZOQPEGZSA-N 407.535 3.436 0 40 HGAB CC(C)c1nc(S(=O)(=O)NC[C@@H](c2csc3ccccc23)N(C)C)cn1C 575622168 XCUODIUPLNCPDI-INIZCTEOSA-N 406.577 3.339 0 40 HGAB CCN1CCOc2ccccc2CCCC[C@@]2(CN(C(=O)CC3CC3)CCO2)C1=O 643557391 VOGGLPIPMNIZEH-XMMPIXPASA-N 414.546 3.038 0 40 HGAB Cc1nc(N2CCN(c3cc(C(F)(F)F)nc(C4CC4)n3)CC2)c2ccncc2n1 1888890406 WHICYXRZIILRLK-UHFFFAOYSA-N 415.423 3.346 0 40 HGAB O=C([C@@H]1CN(c2ncc(C(F)(F)F)cc2Cl)CCO1)N1CCC(F)(F)CC1 2086945937 GOJJNVLZNUWQFB-LBPRGKRZSA-N 413.774 3.217 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCc3ccc(Cl)cc3)CC2)cc1 797099 OIWUDTJLFMIFKM-UHFFFAOYSA-N 420.962 3.408 0 40 HGAB Cc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)NCc2cccs2)CC1 1345783 VUKYLSMVWQOPEP-UHFFFAOYSA-N 412.964 3.427 0 40 HGAB O=c1c2c3c(sc2nc(N2CCNCC2)n1CCc1ccccc1)CCCCC3 2236331 LXRUGDPRECMWMJ-UHFFFAOYSA-N 408.571 3.379 0 40 HGAB O=C(NCc1ccccc1)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccccc1F 2657085 ZWNDHLFWBJELKI-NRFANRHFSA-N 424.497 3.258 0 40 HGAB O=c1c(-c2cccs2)ccc2n1C[C@H]1C[C@@H]2CN(S(=O)(=O)c2cccs2)C1 4237162 ZOBYMSGQCKFBGD-UONOGXRCSA-N 418.565 3.446 0 40 HGAB biogenic,in-vitro CCCS(=O)(=O)N1C[C@@H]2C[C@H](C1)c1ccc(-c3ccc(SC)cc3)c(=O)n1C2 4237209 ZTHPOKWZSYMSMS-DOTOQJQBSA-N 418.584 3.396 0 40 HGAB biogenic,in-vitro CCOC(=O)c1oc2ccccc2c1NC(=O)CCS(=O)(=O)c1ccccc1 4325558 KJFZVWNIHFHEON-UHFFFAOYSA-N 401.440 3.412 0 40 HGAB COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2c(NC(C)=O)sc(C)c2C)c1C 5326718 PUUDBLLFZWIULO-NSHDSACASA-N 420.487 3.483 0 40 HGAB COc1ccc(NC(=O)CSc2nc(O)c3cnn(-c4ccccc4)c3n2)cc1 6009044 HRXPHANSULQJEE-UHFFFAOYSA-N 407.455 3.261 0 40 HGAB C[C@@H]1CN(C(=O)c2ccccc2NS(=O)(=O)c2ccc(Cl)cc2)C[C@@H](C)O1 6382660 RIOJXLRNKUFPIM-ZIAGYGMSSA-N 408.907 3.390 0 40 HGAB Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(=O)Nc3ncccc3O)CC2)c1C 6590427 HLRLGBLQCOLREF-UHFFFAOYSA-N 417.531 3.060 0 40 HGAB CC(C)NS(=O)(=O)c1ccc(NC(=O)c2ccc3c(c2)NC(=O)CCS3)cc1 7313102 OHTDCBMXLCAZHX-UHFFFAOYSA-N 419.528 3.060 0 40 HGAB CCOc1ccc(NC(=O)CN(C)CC(=O)N[C@H]2CCCC[C@@H]2C)cc1OCC 7461038 GPSRANQBHUXYCB-WMZOPIPTSA-N 405.539 3.049 0 40 HGAB CC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3cc(C)ccc3C)C2)cc1 8433776 SSBKVWFLAFXATP-GOSISDBHSA-N 408.454 3.041 0 40 HGAB CCc1ccc(N2C[C@H](C(=O)Nc3c(C)n(-c4ccccc4)n(C)c3=O)CC2=O)cc1 8475322 WOHADTIXKCKVOF-GOSISDBHSA-N 418.497 3.038 0 40 HGAB O=C(COc1ccc(N2C[C@H](C(=O)O)CC2=O)cc1)Nc1ccc(Cl)cc1Cl 8732510 DYDSKVFSDMOTRW-LLVKDONJSA-N 423.252 3.448 0 40 HGAB Cc1cc(NC(=O)CN(C)Cc2cnn(Cc3ccccc3)c2)n(-c2ccccc2)n1 8879951 IXVZQYLZZOULIL-UHFFFAOYSA-N 414.513 3.496 0 40 HGAB C[C@@]1(c2ccc3c(c2)OCCO3)NC(=O)N(Cc2cc(-c3ccccc3)on2)C1=O 9503376 GKXUTIWKSNOMAR-QFIPXVFZSA-N 405.410 3.080 0 40 HGAB Cc1ccccc1N(CC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2)S(C)(=O)=O 9683388 XEXMGADYEYPYAJ-UHFFFAOYSA-N 416.499 3.441 0 40 HGAB COc1ccc(N(CC(=O)N2CCC[C@H](C)C2)S(=O)(=O)c2ccc(C)cc2)cc1 10541247 WMFKBNOBNPMIKL-SFHVURJKSA-N 416.543 3.457 0 40 HGAB CCCS(=O)(=O)N1CCc2ccc(NC(=O)COc3cccc(C)c3)cc2C1 11613178 VRJQOYHNSACRIK-UHFFFAOYSA-N 402.516 3.110 0 40 HGAB COc1ccc(-c2ccc(SCC(=O)N3CC(=O)Nc4ccccc43)nn2)cc1 12470749 GSEKQAAPHCKKTR-UHFFFAOYSA-N 406.467 3.230 0 40 HGAB CCn1c2ccccc2c2cc(N[C@@H](C)C(=O)N(C)[C@H]3CCS(=O)(=O)C3)ccc21 12561488 MIVYRIAPGACNEY-RDJZCZTQSA-N 413.543 3.260 0 40 HGAB C[C@@H](NC(=O)c1ccco1)C(=O)N[C@@H](Cc1nc2ccccc2n1C)c1ccccc1 12601277 IWPIGCASDDLTCB-APWZRJJASA-N 416.481 3.385 0 40 HGAB CSCCC(=O)NCCN1C(=O)S/C(=C\c2ccc(OC(F)F)cc2)C1=O 12747650 BHNYEEGSKGVOHH-RAXLEYEMSA-N 416.471 3.194 0 40 HGAB CSCC[C@H](NS(=O)(=O)c1cc(C)ccc1C)C(=O)N1CCc2ccccc21 12751249 QERWFISJPRZHGC-SFHVURJKSA-N 418.584 3.293 0 40 HGAB COc1ccc(Cl)cc1C(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 12758856 DLTLGESAUKWAIP-UHFFFAOYSA-N 422.934 3.453 0 40 HGAB CC(C)n1ncc2cc(NC(=O)c3cccc(S(=O)(=O)N4CCCC4)c3)cnc21 12768868 URAGOBADWZYENR-UHFFFAOYSA-N 413.503 3.049 0 40 HGAB Cc1ccc(-c2nnc(S)n2CC(=O)NCC(=O)Nc2c(C)cc(C)cc2C)cc1 13000695 USADVWFTDRZTBP-UHFFFAOYSA-N 423.542 3.222 0 40 HGAB COC(=O)[C@H]1CCCN1c1ccc(NCc2cc3ccc(OC)cc3[nH]c2=O)cc1 13562977 IOEIFCFRJXCXSN-OAQYLSRUSA-N 407.470 3.291 0 40 HGAB COc1ccc(C(=O)NCc2ccc(C)cc2)cc1S(=O)(=O)N1CCCCC1 14291798 IDZNISURSNVDSO-UHFFFAOYSA-N 402.516 3.108 0 40 HGAB O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@H](c2ccc(Cl)cc2)N1c1nnn[nH]1 16741966 NBOPMFGEZRPRAV-AWEZNQCLSA-N 414.208 3.363 0 40 HGAB Cc1ccc(C(=O)NC(=S)Nc2ccc(I)c(C)n2)cc1 17088754 GWMNAUOPCGTZES-UHFFFAOYSA-N 411.268 3.430 0 40 HGAB CC(=O)N1CCc2cc(S(=O)(=O)N[C@H](C)c3nc4ccccc4s3)ccc21 19459898 OWVZUAOXUFHBMB-GFCCVEGCSA-N 401.513 3.245 0 40 HGAB COCCN1CCC[C@@H]1c1nc(C)c2c(n1)N(CCCc1ccccc1)C(=O)CC2 19695964 JAEJSNVFKHVPAB-OAQYLSRUSA-N 408.546 3.480 0 40 HGAB C[C@H]1CCCCN1CC(=O)Nc1cnn(CC(=O)Nc2cccc(C(F)(F)F)c2)c1 19746106 ONLAIPRKEWJEBS-AWEZNQCLSA-N 423.439 3.354 0 40 HGAB C[C@@H](CCc1ccccc1)NC(=O)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 19868925 SQJPYTNAWSLDGG-WMZOPIPTSA-N 406.573 3.286 0 40 HGAB COc1cccc(C(=O)N[C@]2(C(F)(F)F)N=C(c3ccccc3)N(C(C)C)C2=O)c1 20650171 FEZYOMXOOWANHS-HXUWFJFHSA-N 419.403 3.381 0 40 HGAB COc1cc2oc(=O)cc(-c3ccccc3)c2cc1CCC(=O)N1CCN(C)CC1 20677556 ODVRYYLUJJMSCZ-UHFFFAOYSA-N 406.482 3.175 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)OCc3c(C)noc3C)CC2)cc1C 21733605 SJVLVUBGZNJJIV-UHFFFAOYSA-N 406.504 3.052 0 40 HGAB CCN(CC)C(=O)[C@@H](c1ccccc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 22802448 ZDJQYOFMCUXBKL-HSZRJFAPSA-N 409.530 3.143 0 40 HGAB CC(=O)c1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C)s2)C1 24832929 HSXYRSVNYUWZBV-HNNXBMFYSA-N 406.529 3.299 0 40 HGAB Cc1ccc(C(=O)NCCNC(=O)CSc2nc3ccccc3s2)cc1F 26083048 NJJMLHGVKQOGCW-UHFFFAOYSA-N 403.504 3.382 0 40 HGAB Cc1ccc([C@@H](CNC(=O)COc2cc(C)c(Cl)c(C)c2)N2CCN(C)CC2)o1 28405140 FOEPINCQCSOGFI-LJQANCHMSA-N 419.953 3.342 0 40 HGAB Cc1cccc(N2CCN(C(=O)c3ccc(N4C[C@H](C)O[C@@H](C)C4)nc3)CC2)c1C 30040400 NVVGOMAVWCNELU-OALUTQOASA-N 408.546 3.274 0 40 HGAB COc1cc(S(=O)(=O)N2CCN=C2Cc2ccccc2)ccc1Br 32602310 ZJSCWDMGZWSBOW-UHFFFAOYSA-N 409.305 3.103 0 40 HGAB CCOc1ccc(CCNC(=O)C[C@H](NC(N)=O)c2ccccc2F)cc1OCC 32796074 WNLIQKWRLLBNMO-SFHVURJKSA-N 417.481 3.082 0 40 HGAB O=C(Cc1cccs1)Nc1nnc(SCC(=O)N2CCc3ccccc32)s1 35311586 LVFGTGHRROEXLE-UHFFFAOYSA-N 416.553 3.462 0 40 HGAB Cc1ccc(N2C(=O)/C(=C/c3cn(CC(N)=O)c4ccccc34)N(C)C2=S)cc1C 39556292 YUJXKAFABMIVCZ-JAIQZWGSSA-N 418.522 3.348 0 40 HGAB COc1ccc(CNC(=O)C2CCN(Cc3ccc(F)cc3)CC2)c(OC)c1OC 39766419 ODLQCLWSXIRQLL-UHFFFAOYSA-N 416.493 3.380 0 40 HGAB COc1ccc([C@@H](CC(=O)Nc2ccccc2C(=O)N2CCCC2)NC(C)=O)cc1 40033866 PGACPDLPCRKAOS-OAQYLSRUSA-N 409.486 3.137 0 40 HGAB Cc1ccc(C)c(-c2cc3c(=O)n(CC(=O)NCc4ccc(C)c(C)c4)ncn3n2)c1 51317085 CXLUTBZKPSJBOW-UHFFFAOYSA-N 415.497 3.108 0 40 HGAB COc1ccc(-c2noc(CCC(=O)NCC(=O)Nc3ccc(Cl)cc3)n2)cc1 54191680 WIONKDZIUGWOIE-UHFFFAOYSA-N 414.849 3.086 0 40 HGAB Cc1csc(N2CCCN(C(=O)C3CCN(C(=O)c4cccs4)CC3)CC2)n1 55759549 ZHZQGEAXZLCCQK-UHFFFAOYSA-N 418.588 3.104 0 40 HGAB O=C1CN(CCC2=CCCCC2)[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Cl)cc1 56998228 VSQVLQZZWDLQOC-MOPGFXCFSA-N 408.951 3.045 0 40 HGAB COc1ccc(OC)c(NC(=O)[C@H]2C[C@H](C)N[C@]23C(=O)Nc2c(Cl)cccc23)c1 57142631 BVDAVDXUTFQNSA-QUSSIACISA-N 415.877 3.141 0 40 HGAB O=C(CN1CCN(c2nc(-c3ccccc3)c3ccccc3n2)CC1)N1CCCC1 57378590 GRGLNEWPSZHCJY-UHFFFAOYSA-N 401.514 3.041 0 40 HGAB CN(c1ccccc1)c1ccccc1NC(=O)NC[C@H]([C@H]1CCOC1)N1CCOCC1 58156394 NRDCSMRVBYVPDS-WMZHIEFXSA-N 424.545 3.313 0 40 HGAB CCCCn1nccc1NC(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 58215114 GIQAGOMLZSESLU-CYBMUJFWSA-N 405.296 3.437 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCCCCC3)C2)cc1Cl 60512647 TVNGKPOHEGKSOU-HNNXBMFYSA-N 414.955 3.152 0 40 HGAB C[C@@](O)(CCc1ccccc1)CNC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 61975829 CMHRYPYBKYLLAX-VGOFRKELSA-N 400.906 3.193 0 40 HGAB Cc1cc(C)n(CC(=O)Nc2ccc(F)cc2)c(=O)c1S(=O)(=O)c1ccccc1 64838486 ICGKHRCVJOJOHA-UHFFFAOYSA-N 414.458 3.076 0 40 HGAB COc1cc(-n2cc(C(=O)NCC(C)C)c3ccccc3c2=O)cc(OC)c1OC 70666486 OBFRKNJGEAKEAU-UHFFFAOYSA-N 410.470 3.402 0 40 HGAB biogenic CC(C)CNC(=O)N1CCC[C@@H](C(=O)Nc2nc3ccccc3nc2N2CCCC2)C1 72294616 OVMIILSXBRFNNO-QGZVFWFLSA-N 424.549 3.246 0 40 HGAB CCc1nccn1CC(=O)N1CCC[C@H]1Cc1c(C(=O)NC)sc2ccccc12 72370258 CPZBSEPPHWZZIK-HNNXBMFYSA-N 410.543 3.254 0 40 HGAB Cc1nc([C@@H]2CCCN2c2ncccn2)nc2c1CCC(=O)N2Cc1ccccc1 72371101 CYRGIKDWCGZAJA-IBGZPJMESA-N 400.486 3.396 0 40 HGAB CCC(CC)C(=O)N1CCO[C@@](Cc2ccc(-c3cccs3)cc2)(C(N)=O)C1 72389209 OYZYEXHTJPGAMS-JOCHJYFZSA-N 400.544 3.477 0 40 HGAB Cc1cccc(CCC(=O)N2CCC[C@@H](c3ncc(Cl)cc3S(C)(=O)=O)C2)n1 72394240 NMLUWLJAANBTKS-OAHLLOKOSA-N 421.950 3.181 0 40 HGAB Cc1cc(-c2cccc(F)c2)nnc1N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 78903564 FLYSDEVMGVAQCZ-UHFFFAOYSA-N 423.467 3.491 0 40 HGAB C[C@H](NC(=O)[C@@H]1CCCCN1C(=O)c1ccco1)[C@@H](O)c1c(F)cccc1Cl 89598463 MHYIRIXGIKETMY-XLWVJDPXSA-N 408.857 3.305 0 40 HGAB CCCNC(=O)[C@@H]1CCCN(C(=O)c2cccc(CNc3nc(C)cc(C)n3)c2)C1 95467421 ANLBNKUOAUHGCH-HXUWFJFHSA-N 409.534 3.084 0 40 HGAB COc1ccc(-c2nc(C)c(C(=O)NCc3c(C)nn(C)c3C)s2)cc1OC 95472245 GUYAEJQLVZHTJD-UHFFFAOYSA-N 400.504 3.416 0 40 HGAB Cc1nc(-c2nc(C(=O)NCc3ccncc3)c3ccccn23)cn1Cc1cccnc1 96155105 GSOZPZGBSXMVOL-UHFFFAOYSA-N 423.480 3.275 0 40 HGAB COc1ccccc1[C@H](CNC(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1)OC 96385258 MZNYOYONEPCXHM-INIZCTEOSA-N 412.364 3.036 0 40 HGAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)cc1 107980512 MCGUIHIRTHGSAZ-JTQLQIEISA-N 403.287 3.308 0 40 HGAB CCOC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccc(C(=O)OC)cc3)o2)C1=O 208520500 SXADYAUMXYQJFM-MHWRWJLKSA-N 415.423 3.333 0 40 HGAB COc1ccc(C)cc1N([C@H](C)C(=O)NCCSc1ccccc1)S(C)(=O)=O 220330994 IHSJVCNRMUIJPC-MRXNPFEDSA-N 422.572 3.067 0 40 HGAB CCOC(=O)c1ccc(NC(=O)c2cccc(N(C)S(C)(=O)=O)c2C)c(C)c1 222439171 WKHIGWUCEZWGMV-UHFFFAOYSA-N 404.488 3.128 0 40 HGAB CNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CCCOc1ccc(OC)cc1 222809973 WJUNVUXNZACEKE-KRWDZBQOSA-N 414.502 3.026 0 40 HGAB C[C@@H](NC(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O)c1ccc2c(c1)CCC2 223167037 VTLPYSFXITVLRY-CQSZACIVSA-N 406.935 3.472 0 40 HGAB O=C(NCc1ccnc(N2CCOCC2)n1)Nc1ccc(Cl)c(C(F)(F)F)c1 224220716 YOOMIAJHPZCGHB-UHFFFAOYSA-N 415.803 3.307 0 40 HGAB Cc1cc(C)cc(N(CCCC(=O)NCCOCc2ccccc2)S(C)(=O)=O)c1 224656249 PMDAXLUDWPIKBH-UHFFFAOYSA-N 418.559 3.183 0 40 HGAB CS(=O)(=O)N(CC(=O)Nc1ccc(OC(F)(F)F)cc1)Cc1ccccc1F 224895493 BVLZZSPXCMYTNX-UHFFFAOYSA-N 420.384 3.125 0 40 HGAB CC(C)(Cc1ccccc1)NS(=O)(=O)c1nnc(NC(=O)c2ccccc2)s1 225048532 FEMFCBWIEISJOC-UHFFFAOYSA-N 416.528 3.090 0 40 HGAB CS(=O)(=O)N[C@H](CC(=O)Nc1ccc(Br)cc1)c1ccc(F)cc1 225945891 MAAHDJHOAWRPMD-OAHLLOKOSA-N 415.284 3.207 0 40 HGAB O=C(c1cc(O)nc2ccccc12)N1CC[C@@H](Oc2ncccc2Br)C1 238867110 MANAPEBSOYGYOF-GFCCVEGCSA-N 414.259 3.391 0 40 HGAB Cc1cc(N2CCC(CNC(=O)C(=O)Nc3ccc(F)c(Cl)c3)CC2)ccn1 253399646 JSYBAXOGRBCVJD-UHFFFAOYSA-N 404.873 3.154 0 40 HGAB CC[C@@H](C(=O)N[C@H](C)c1ccccc1OC)N(c1ccc(OC)cc1)S(C)(=O)=O 260800731 VVILPBZXFUTLHC-BEFAXECRSA-N 420.531 3.126 0 40 HGAB CS(=O)(=O)N(CC(=O)NCCc1ccccc1)Cc1ccc(Cl)c(Cl)c1 408613467 UMNCERVFNIHDLE-UHFFFAOYSA-N 415.342 3.114 0 40 HGAB CN1CCC(N(C[C@@H](O)CC(C)(C)C)S(=O)(=O)c2ccc3c(c2)CCC3)CC1 566928591 CNKJKBMDPVQBNE-FQEVSTJZSA-N 408.608 3.057 0 40 HGAB COc1c(F)c(F)cc(C(=O)N2CCC[C@H](n3cnc4ccccc4c3=O)C2)c1F 575617291 NFKRDTJKKSOUFA-LBPRGKRZSA-N 417.387 3.300 0 40 HGAB C[C@@]1(c2cccc(-c3noc(-c4ccc5c(c4)CCCCC5=O)n3)c2)NC(=O)NC1=O 580863552 XEFJRWGKUVTWIQ-QHCPKHFHSA-N 416.437 3.367 0 40 HGAB O=C1NC(=O)c2cc(C(=O)N3CCCC[C@@H]3c3ncc(-c4cccc(F)c4)[nH]3)ccc21 581642031 LXXYKHRWIIRFFE-LJQANCHMSA-N 418.428 3.467 0 40 HGAB NC(=O)C[C@@]1(COc2cccc(Cl)c2)CN(Cc2ccc3[nH]ccc3c2)CCO1 585274052 ZQRGGEBDHUFRAU-QFIPXVFZSA-N 413.905 3.347 0 40 HGAB COc1ccc(CN2C(=O)Cc3c(C)nc([C@@H]4CCN(C(=O)CC(C)C)C4)nc32)cc1 607854652 CDLVAEJFWDLKRY-GOSISDBHSA-N 422.529 3.245 0 40 HGAB Cc1nc(C)n(CCC(=O)N2Cc3ccccc3NCC[C@H]3CC[C@@H](C2)N3C(C)C)n1 643576116 PPMXECKIPVFYOL-YADHBBJMSA-N 424.593 3.371 0 40 HGAB Cc1cc(Br)cc(S(=O)(=O)N2CCN(C)C[C@H]2c2ccccc2)c1 1191271619 CQSYMRVBYWNPPP-SFHVURJKSA-N 409.349 3.435 0 40 HGAB Cc1cccc(Cl)c1NC(=O)CSc1nc2cn(C)nc2c(=O)n1CC(C)C 1565520581 ZAMLUAHNTFOLHY-UHFFFAOYSA-N 419.938 3.479 0 40 HGAB Cc1cc(=O)n(C2CCCC2)c2nc(N3CCC[C@H](COc4cnccn4)C3)ncc12 2298229061 YSRFJCDTAYCTRZ-KRWDZBQOSA-N 420.517 3.300 0 40 HGAB COc1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 796876 KVBMEPPUYKCQFV-AWEZNQCLSA-N 408.907 3.388 0 40 HGAB CC(=O)C1=NN(c2ccc(Cl)cc2)[C@@H](c2ccc3c(c2)OCO3)N(C(C)=O)N1C 2210030 RLGNUIFXUXOZOH-HXUWFJFHSA-N 414.849 3.185 0 40 HGAB CCCc1nc2c(sc3nc4c(cc32)COC(C)(C)C4)c(=O)n1CCN(C)C 2418263 LJFIYBOGEPNKBE-UHFFFAOYSA-N 400.548 3.372 0 40 HGAB Cc1cc(C(=O)COC(=O)CNC(=O)c2ccc(F)cc2)c(C)n1Cc1ccco1 3357346 LCPWUPFUSQGQTO-UHFFFAOYSA-N 412.417 3.041 0 40 HGAB aggregator COCCNC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1C(C)C 3443486 JTVWPMYUYBANRZ-UHFFFAOYSA-N 411.527 3.364 0 40 HGAB COc1cc(C(=O)OCC(=O)c2ccc3c(c2)NC(=O)CO3)ccc1OCC(C)C 4333852 FNSJCPBVQKNWLN-UHFFFAOYSA-N 413.426 3.101 0 40 HGAB CCc1cccc(NC(=O)c2nnn(Cc3cccc(Br)c3)c2N)c1 4852516 TUABTIXVRNNHQH-UHFFFAOYSA-N 400.280 3.486 0 40 HGAB COc1cccc(N2C[C@H](NC(=O)NCCn3c(C)cc4ccccc43)CC2=O)c1 5087808 JKEQAOPSHROEAE-GOSISDBHSA-N 406.486 3.063 0 40 HGAB COC(=O)N1CCc2c(sc(NC(=O)c3ccc4ccccc4c3)c2C(N)=O)C1 5255313 DUNKPKZYJNLDJA-UHFFFAOYSA-N 409.467 3.377 0 40 HGAB Cc1ccc(-n2nc3c(c2NC(=O)C(=O)NCc2ccccc2)CSC3)c(C)c1 5438011 XELBKXLAHRSSCP-UHFFFAOYSA-N 406.511 3.491 0 40 HGAB COc1ccc(CN(C)S(=O)(=O)c2ccccc2Br)c(OC)c1 6314321 CZXLBFFHIWUYEH-UHFFFAOYSA-N 400.294 3.287 0 40 HGAB CCOC(=O)NC(=O)CSc1nnc(-c2cccnc2)n1-c1ccc(C)cc1C 6365710 WLEBLPUTTFOJHL-UHFFFAOYSA-N 411.487 3.311 0 40 HGAB COc1ccc(OC)c(C(=O)COC(=O)C(O)(c2ccccc2)c2ccccc2)c1 6654583 GGWPIZFCXDYFEU-UHFFFAOYSA-N 406.434 3.366 0 40 HGAB CC(C)c1ccc(/C=C2\SC(=O)N(CC(=O)NCCCn3ccnc3)C2=O)cc1 6661108 JBWCHOKGWIJYPQ-PDGQHHTCSA-N 412.515 3.249 0 40 HGAB COc1cccc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)N[C@@H](C)CCCC(C)C)[C@H]4C2=O)c1 6670063 ZYQVPVZYFQKFEK-QNYRDFISSA-N 412.530 3.313 0 40 HGAB O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)Oc1ccc2c(c1)OCO2 7658786 IVWWTLLTMFHSPL-UHFFFAOYSA-N 417.483 3.128 0 40 HGAB CNC(=O)[C@H]1CN(C(=O)c2cccc(OCc3c(C)noc3C)c2)c2ccccc2O1 7826415 IFDYMPYZWOVVRV-OAQYLSRUSA-N 421.453 3.024 0 40 HGAB C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)Nc3ccc(F)c(F)c3)c2)C[C@@H](C)O1 8073772 QACPFSCCCRSVAP-CHWSQXEVSA-N 410.442 3.015 0 40 HGAB CN(Cc1ccccc1N1CCOCC1)C(=O)/C=C/c1cnn(Cc2ccccc2)c1 8191821 HZTYGXDUGHZXGZ-VAWYXSNFSA-N 416.525 3.440 0 40 HGAB C[C@]1(c2cccc3ccccc23)NC(=O)N(CC(=O)c2ccc3c(c2)OCO3)C1=O 8193735 UBCHIBOWNDMRAP-HSZRJFAPSA-N 402.406 3.218 0 40 HGAB C[C@]1(CCc2ccccc2)NC(=O)N(CC(=O)Nc2ccccc2N2CCCC2)C1=O 8707680 PWEOZKKOCHKJNV-XMMPIXPASA-N 420.513 3.169 0 40 HGAB COc1ccc([C@@H](CNC(=O)c2ccc(-n3cncn3)cc2)N2CCCCC2)cc1 8709511 XNSRTJZSUUPQOW-JOCHJYFZSA-N 405.502 3.233 0 40 HGAB CC(C)[C@H](Sc1nnc(COc2ccccc2Cl)n1C1CC1)C(=O)NC(N)=O 8719030 ONPLPAUHINIQTN-HNNXBMFYSA-N 423.926 3.157 0 40 HGAB C[C@H](NC(=O)CSc1nnc(NCc2ccco2)s1)c1ccc2c(c1)OCO2 9257427 HYQBYGHRBGLMOC-NSHDSACASA-N 418.500 3.441 0 40 HGAB COc1c(F)c(F)cc2c(=O)c(C(=O)NCCc3ccc(O)cc3)cn(C3CC3)c12 9575659 CDWLSAGCKHADNZ-UHFFFAOYSA-N 414.408 3.301 0 40 HGAB CCNC(=O)c1cc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)ccc1OC 10008934 NOZGOCOJPRNFNP-UHFFFAOYSA-N 402.394 3.265 0 40 HGAB CC(=O)NCCc1ccc(-c2csc(NC(=O)c3ccc4[nH]nnc4c3)n2)cc1 10556400 MADKZWMDNFYLIQ-UHFFFAOYSA-N 406.471 3.012 0 40 HGAB CNS(=O)(=O)Cc1ccccc1CNC(=O)c1ccccc1Nc1ccccc1 10739001 OAQMPPNUPDRJKK-UHFFFAOYSA-N 409.511 3.409 0 40 HGAB O=C(COC(=O)CCC(=O)c1ccc2ccccc2c1)NCc1ccc2c(c1)OCO2 10974555 NRIULZMQHMTHBZ-UHFFFAOYSA-N 419.433 3.391 0 40 HGAB Oc1nc(-c2ccccn2)nc2c1CN(Cc1cnn(-c3ccc(F)cc3)c1)CC2 12122752 REAHZZIMFKPRHX-UHFFFAOYSA-N 402.433 3.127 0 40 HGAB Cc1sc2nc(C(C)C)n([C@H]3CCCN(CC(=O)NC4CC4)C3)c(=O)c2c1C 12184136 HBLSLWKAJIDTQP-INIZCTEOSA-N 402.564 3.114 0 40 HGAB O=C(Cn1nnc(-c2ccccc2NC(=O)c2ccc(Cl)cc2)n1)NC1CCCC1 12638831 OIQWUXFYAKHHEO-UHFFFAOYSA-N 424.892 3.305 0 40 HGAB O=c1c2cc(Cl)ccc2ncn1Cc1nc2ccccc2c(=O)n1Cc1ccco1 12759414 PPYHOPDEEMMXQU-UHFFFAOYSA-N 418.840 3.449 0 40 HGAB CNC(=O)c1ccc(CN(C2CC2)S(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1 12779630 NKIMMWUZESLCIZ-UHFFFAOYSA-N 412.433 3.418 0 40 HGAB CN(C(=O)CSCC(=O)NCc1ccc(Cn2cccn2)cc1)C1CCCCC1 12892007 CXPQZCNPODAWCC-UHFFFAOYSA-N 414.575 3.072 0 40 HGAB CC[C@@H](C)NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Br 12921439 OXNYXCXPALSVAL-GFCCVEGCSA-N 403.342 3.152 0 40 HGAB O=S(=O)(N1CCCCCC1)N1CCN(Cc2c(Cl)cccc2Cl)CC1 12921947 YSDVNPBKEAJXKZ-UHFFFAOYSA-N 406.379 3.232 0 40 HGAB Cc1ccc(-c2nn(CN(CC(C)C)[C@H]3CCS(=O)(=O)C3)c(=S)n2C)cc1 12924315 RHQPPSJOMIOJSY-KRWDZBQOSA-N 408.593 3.029 0 40 HGAB COc1ccc(-c2nnc(S)n2CC(=O)NCCc2cccc(Cl)c2)cc1 12999201 KAOHVGHVDIVJAS-UHFFFAOYSA-N 402.907 3.255 0 40 HGAB COc1ccccc1O[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 14006520 DPFMWVDPBJXUKG-INIZCTEOSA-N 418.515 3.276 0 40 HGAB CCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)C(=O)Nc1ccccc1F 14180645 NFVVASZBCBTIFU-UHFFFAOYSA-N 400.410 3.133 0 40 HGAB O=C(CSC1CCCC1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 18226979 CTAXCVVQSIQSPK-UHFFFAOYSA-N 422.616 3.074 0 40 HGAB C[C@@H](NC(=O)CCC(=O)N1CCN(c2ccccn2)CC1)C12CC3CC(CC(C3)C1)C2 18271668 SFVNBHSZIOICHI-YHLJFGAHSA-N 424.589 3.232 0 40 HGAB Cc1cc(-c2cnc(N3CCCC3)nc2C2CCN(Cc3cnc(C)n3C)CC2)on1 19123280 OXAYQWPOOKUULM-UHFFFAOYSA-N 421.549 3.462 0 40 HGAB CC(C)[C@@H]1C[C@H](C(F)(F)F)n2nc(C(=O)N3CCC[C@@H](CN(C)C)C3)cc2N1 19451150 CSNYNUISRLKSJW-OFQRWUPVSA-N 401.477 3.241 0 40 HGAB CCOC(=O)c1cnn2c1N[C@H]([C@H]1CCCN(C(=O)C(C)C)C1)C[C@@H]2C(F)(F)F 19530894 ZVNRBCCPLCOOMD-AEGPPILISA-N 416.444 3.242 0 40 HGAB CO[C@@H]1CCC[C@@H](C(=O)N2CCC[C@@H]2c2n[nH]cc2-c2ccnc(N3CCCC3)n2)C1 19592619 HHHITXXSELALQV-MBOZVWFJSA-N 424.549 3.336 0 40 HGAB CCc1cc(C(=O)Nc2cccc(N3CCCCS3(=O)=O)c2)c2c(C)noc2n1 19663415 NIEZUCWVFVHRON-UHFFFAOYSA-N 414.487 3.276 0 40 HGAB COc1ccccc1N1CCN([C@H](c2cccs2)c2nnnn2C(C)(C)C)CC1 20098595 RELPIFSFXQOPMM-LJQANCHMSA-N 412.563 3.410 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NC3CCCCCCC3)C2)cc1 20902255 SNIBHNOVYJHWCK-QGZVFWFLSA-N 408.564 3.325 0 40 HGAB Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)NCc1ccccc1CN1CCOCC1 21935170 QWPZKQGGYLLDGR-UHFFFAOYSA-N 422.504 3.390 0 40 HGAB Cc1nn2c(nc(Sc3nnnn3C[C@H]3CCCO3)c3ccccc32)c1Cl 22015558 KVLGNASDGLZQOF-LLVKDONJSA-N 401.883 3.161 0 40 HGAB CCc1ccc(N(CC(=O)NCCCc2ccccc2Cl)S(C)(=O)=O)cc1 22361637 IAKQGUCDPHYNNP-UHFFFAOYSA-N 408.951 3.417 0 40 HGAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)CCCNC(=O)NC1CCCCC1 22971154 NXUYAQKFAZAAHK-KRWDZBQOSA-N 412.538 3.199 0 40 HGAB CN(C(=O)Cn1c(CS(C)(=O)=O)nc2ccccc21)[C@H]1CCCc2ccccc21 23183059 GEGOUYPGRISGLY-IBGZPJMESA-N 411.527 3.117 0 40 HGAB O=C(NCc1nc2ccccc2s1)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O 23424501 JDVAXVVVSFAHIP-AWEZNQCLSA-N 421.478 3.001 0 40 HGAB Cc1ccc([C@@H](CN2CCOCC2)NS(=O)(=O)c2ccc3c(c2)CCCC3)cc1 30340989 AATUYOQZMNRMEA-HSZRJFAPSA-N 414.571 3.226 0 40 HGAB C[C@H](CCc1ccccc1)NC(=O)c1nc(COc2ccc3c(c2)NC(=O)CC3)no1 32095882 JSPIIDNEEWMDOO-OAHLLOKOSA-N 420.469 3.284 0 40 HGAB COc1cccc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)c1OC(C)C 32117118 PBHMKWMDSNNVBD-LDADJPATSA-N 423.469 3.322 0 40 HGAB CN(CC(=O)N(C1CCCCC1)[C@H]1CCS(=O)(=O)C1)[C@@H]1CCCc2ccccc21 32512307 CKOCVRFKNNNDOY-RBBKRZOGSA-N 418.603 3.344 0 40 HGAB CC[C@@H](NC(=O)Cn1ncc2ccccc2c1=O)c1ccc(Br)cc1 36758518 ZZRWQEQEASYQOK-QGZVFWFLSA-N 400.276 3.427 0 40 HGAB CSc1ncc(Cl)c(C(=O)NCc2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)n1 40087459 JOEWSSGDVQGQRG-KBPBESRZSA-N 420.966 3.391 0 40 HGAB O=C(Cc1ccc(-n2cccn2)cc1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 40107450 XRLVFGWWBSGPQD-UHFFFAOYSA-N 415.419 3.177 0 40 HGAB CCN(CC)C(=O)N1CCC[C@@H](C(=O)Nc2cc(Cl)ccc2N2CCOCC2)C1 40129260 GIQKFCPIOKLEHS-MRXNPFEDSA-N 422.957 3.289 0 40 HGAB CCN(C)S(=O)(=O)c1c(C)nn(Cc2coc(-c3ccc(Cl)cc3)n2)c1C 59852823 RNHLEOPTCONTFS-UHFFFAOYSA-N 408.911 3.497 0 40 HGAB Cc1ccc(NC(=O)c2nnn(CC(=O)NCc3ccccc3Cl)c2C)c(C)c1 71327087 RBDRCWOAZXVJFV-UHFFFAOYSA-N 411.893 3.425 0 40 HGAB CO[C@@H]1CCC[C@@H](C(=O)N2CCC[C@H]([C@@H]3C[C@H](C(F)(F)F)n4ncnc4N3)C2)C1 72341386 XJSYFOWSSAMOSA-DGADGQDISA-N 415.460 3.010 0 40 HGAB CSCC[C@H](Nc1nc(C)cc(C)n1)C(=O)N1CCN(c2ccc(F)cc2)CC1 95472760 AFLLBUOLTDZDOX-IBGZPJMESA-N 417.554 3.115 0 40 HGAB Cc1cc(NC(=O)[C@H]2Oc3c(c(=O)oc4ccccc34)[C@H]2c2ccc(O)cc2)no1 96113804 MULPZSDJRFODPF-XLIONFOSSA-N 404.378 3.327 0 40 HGAB biogenic COc1ccc(S(=O)(=O)Nc2ccccc2OC(C)C)cc1N1CCCC1=O 113949610 PHFRHACIPGNIHZ-UHFFFAOYSA-N 404.488 3.410 0 40 HGAB CCc1ccc(S(=O)(=O)N2CCC[C@@H](S(=O)(=O)c3ccc(F)cc3)C2)s1 211106106 YSTMBXOECJSIGV-MRXNPFEDSA-N 417.549 3.077 0 40 HGAB COc1ccc(OC)c(N([C@H](C)C(=O)Nc2cccc(SC)c2)S(C)(=O)=O)c1 220213976 SOSZVPLOLTULCW-CYBMUJFWSA-N 424.544 3.219 0 40 HGAB COc1ccccc1CCCNC(=O)CCCN(c1ccccc1F)S(C)(=O)=O 222658455 WWYKSYIULOAGKU-UHFFFAOYSA-N 422.522 3.130 0 40 HGAB CC1(C)C[C@H](NC(=O)CN(Cc2ccccc2F)S(C)(=O)=O)c2ccccc2O1 223054945 DNKKUBMSBDZYGJ-SFHVURJKSA-N 420.506 3.006 0 40 HGAB CCc1ccc(CC)c(CNC(=O)[C@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)c1 223119036 WTTRQVFMPQFEKI-HNNXBMFYSA-N 406.523 3.421 0 40 HGAB C[C@H](NC(=O)[C@@H](C)Oc1ccc(N(C)S(C)(=O)=O)cc1)c1ccc2c(c1)CCC2 223251483 YMXPAPPNMBTCAX-JKSUJKDBSA-N 416.543 3.216 0 40 HGAB Cc1ccc(C(=O)N2CCc3cc(S(=O)(=O)NCc4ccccn4)ccc32)cc1 223373549 OYJBPRNSNXHXKX-UHFFFAOYSA-N 407.495 3.071 0 40 HGAB Cc1cc(C)c([C@@H](C)NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1C 223477587 CBJQXSDAUMKGBW-GOSISDBHSA-N 416.543 3.124 0 40 HGAB CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1cc(C)ccc1OC 223936330 IZJPVWGEJLMESU-SFHVURJKSA-N 406.504 3.196 0 40 HGAB COc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(OC3CCCC3)cc2)cc1 224872937 SHSGVJPSTUUPLL-UHFFFAOYSA-N 405.472 3.297 0 40 HGAB O=C(NCCCc1ccccc1Cl)C1CCN(S(=O)(=O)c2ccccc2)CC1 225471093 IXYSORADSHKHBM-UHFFFAOYSA-N 420.962 3.490 0 40 HGAB COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)N[C@H](C)c1ccc(C)cc1 225865381 MRLQCNCOVSCVOB-MRXNPFEDSA-N 404.532 3.064 0 40 HGAB O=C(NCc1nnc2ccc(-c3ccsc3)nn12)c1cc(-c2cccs2)on1 253473561 WKQWWMNVBXLMKJ-UHFFFAOYSA-N 408.468 3.499 0 40 HGAB O=C(NS(=O)(=O)c1cccc(Br)c1)c1cccc(N2CCCC2)c1 257335960 YMOROVVHVXNQRZ-UHFFFAOYSA-N 409.305 3.168 0 40 HGAB O=C(c1ccco1)N1CCN(CC2CC2)[C@@H](c2cn3c(N4CCCC4)cccc3n2)C1 306127166 FQFMFIQMAGDJSV-HXUWFJFHSA-N 419.529 3.437 0 40 HGAB COCCN1CC[C@@]2(CN(Cc3ccc(C)s3)C[C@@H]2c2cn(C(C)C)cn2)C1=O 306128039 GOMYVPNLMNMZHY-KNQAVFIVSA-N 416.591 3.298 0 40 HGAB O=C(NC1CCCC1)c1nc2c(s1)CN(CC1CC1)S(=O)(=O)c1ccccc1-2 306137110 QLUPLOFJRQCZRN-UHFFFAOYSA-N 417.556 3.397 0 40 HGAB Cc1nc(C(=O)N2CCN(c3nccn4c(-c5cccc(F)c5)cnc34)CC2)cs1 306144224 YZQGTWJNEBWLDC-UHFFFAOYSA-N 422.489 3.263 0 40 HGAB COc1cc(C(=S)NCCN2CCOCC2)ccc1OCc1ccc(F)cc1 408577422 SMRSUMNCSGUUDE-UHFFFAOYSA-N 404.507 3.011 0 40 HGAB COC(=O)c1ccccc1N(CN1C(=O)c2ccccc2C1=O)C(=O)c1ccccc1 408841664 GLTDTYVIHAYPJN-UHFFFAOYSA-N 414.417 3.374 0 40 HGAB COC(=O)[C@@H](C)N1C(=O)S/C(=C\c2cc(Br)cc(Cl)c2O)C1=O 409076018 WONQVGOYPHLSGM-DKLDRGHMSA-N 420.668 3.406 0 40 HGAB Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3cccn3-c3ccc(O)cc3)C2=O)c1 409096314 KNEWMDYSWMEWEB-DEDYPNTBSA-N 416.437 3.023 0 40 HGAB CCOc1ccc(NC(=O)COc2ccc(S(=O)(=O)NCC(C)C)cc2C)cc1 409381000 CPZFNHQIIDUHGR-UHFFFAOYSA-N 420.531 3.346 0 40 HGAB O=C(CNC(=O)c1c[nH]nc1-c1ccc(Cl)cc1)N[C@H]1CCOc2ccccc21 506196678 NWEBSXBAHHAQDD-KRWDZBQOSA-N 410.861 3.100 0 40 HGAB COCCNC(=O)c1c[nH]nc1[C@H]1CCCN([C@H](C)c2ncc(C(C)(C)C)o2)C1 509132650 RCEOHFVNYBROLU-CABCVRRESA-N 403.527 3.012 0 40 HGAB COc1cc2c(cc1OC)[C@@H](CC(=O)O)N(C(=O)c1cn(C)c3ccccc13)CC2 553945795 KVCIUFWDLTYQIB-LJQANCHMSA-N 408.454 3.410 0 40 HGAB O=C(COc1ccccc1)N1CC[C@@]2(C1)c1cccn1-c1ncccc1N2CCF 585106749 HLFIFIMYJDVKJB-HSZRJFAPSA-N 406.461 3.168 0 40 HGAB Cc1c(NC(=O)Nc2cc(-c3ccncc3)[nH]n2)nnn1CCOc1ccc(F)cc1 1671832766 PYKIEGRVXULSAV-UHFFFAOYSA-N 422.424 3.234 0 40 HGAB CCOc1cccc2sc(N3CCN(c4nc(O)cc(C(F)F)n4)CC3)nc12 1888913281 YJPSCCUNXYXBAZ-UHFFFAOYSA-N 407.446 3.455 0 40 HGAB CC(C)(C)c1cc(C(=O)N2CC[C@@H]3CN(c4cc(C(F)(F)F)ccn4)C[C@H]32)[nH]n1 2087144440 CKOJYVQPLKWSHT-IUODEOHRSA-N 407.440 3.472 0 40 HGAB CC(C)n1nc(-c2ccccc2)nc1[C@H]1CC[C@@H](O)[C@H](NC(=O)c2nccs2)C1 2332241433 KACSCNFZQPKDHB-GVDBMIGSSA-N 411.531 3.410 0 40 HGAB Cc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NC2CCCCC2)cc1 741740 GXBYCFRZJCWTTE-OAQYLSRUSA-N 400.544 3.334 0 40 HGAB Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)N3CCN(c4ncccn4)CC3)cc12 2648748 USDGBHSDIKNSIL-UHFFFAOYSA-N 422.489 3.287 0 40 HGAB Cc1cc(C)n(CCCNC[C@@H](O)COc2ccc(C(=O)c3ccccc3)cc2)n1 2662638 VXHJFVNXLDLQBY-JOCHJYFZSA-N 407.514 3.151 0 40 HGAB Cc1cc(C)n(-c2ccc(C(=O)O[C@@H](C)C(=O)Nc3ccc4c(c3)OCO4)cc2)n1 3469114 JSTNRDBPISXMCQ-HNNXBMFYSA-N 407.426 3.402 0 40 HGAB CSc1cccc(NC(=O)COC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)c1 3567830 LZCWAUNTUIVYHH-UHFFFAOYSA-N 415.439 3.200 0 40 HGAB COC[C@@H](C)NC(=O)CSc1nc(-c2ccc(OC)cc2)cc(C(F)(F)F)n1 3645093 ZSLRAGUDIVTWHN-LLVKDONJSA-N 415.437 3.414 0 40 HGAB COc1ccc(C)cc1NC(=O)C(=O)NCCSc1nc(-c2ccccc2)c[nH]1 4315917 QLDPWHYKFZPDLJ-UHFFFAOYSA-N 410.499 3.241 0 40 HGAB Cc1cccc([C@@H](c2sc3nc(C)nn3c2O)N2CCC3(CC2)OCCO3)c1 4341005 ZHICFMWVCYQIGE-INIZCTEOSA-N 400.504 3.042 0 40 HGAB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(O)c(OC)c3)C2=O)cc1 4456541 MQKIOWCEBMEPFF-LICLKQGHSA-N 414.439 3.084 0 40 HGAB CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cccc(C)c3)C2)cc1 4813787 JVXFTVGSGMQADQ-KRWDZBQOSA-N 402.516 3.433 0 40 HGAB COc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCCCO3)cc1Br 5126589 UVYGQRQGMQWKCS-UHFFFAOYSA-N 414.277 3.420 0 40 HGAB C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)NCCc1ccc(Cl)cc1Cl)C2=O 5854822 OYPWSPAFWOVWQP-BUXKBTBVSA-N 412.317 3.153 0 40 HGAB COc1ccc(-c2nnc(SCCNCCO)n2C2CCCCC2)cc1OC 6578692 RYCZPRMXFGUDDL-UHFFFAOYSA-N 406.552 3.142 0 40 HGAB COCCn1c(S[C@@H](C)C(=O)Nc2ccc(Cl)cn2)nnc1-c1ccncc1 6861906 YYRFWOSFQDKFNM-LBPRGKRZSA-N 418.910 3.154 0 40 HGAB COc1ccc(C(=O)/C=c2\[nH]c(=O)/c(=C\c3c(Cl)cccc3Cl)s2)cc1 6934001 DJANUODUQCEVIE-BEQMOXJMSA-N 406.290 3.244 0 40 HGAB CCOC(=O)C1=C(COC(=O)c2cc3cc(F)ccc3s2)NC(=O)N[C@@H]1CC 7166128 BGYPTPPDWWYASK-GFCCVEGCSA-N 406.435 3.106 0 40 HGAB CCCCC(=O)NC(=S)Nc1ccc(N2CCN(C(=O)C(C)(C)C)CC2)cc1 7387164 PGAJKMQIHIRUBF-UHFFFAOYSA-N 404.580 3.385 0 40 HGAB COc1ccc(NC(=O)COC(=O)c2ccc(-n3nc(C)cc3C)cc2)cc1OC 7698923 KKVGXJIIOGGIBN-UHFFFAOYSA-N 409.442 3.302 0 40 HGAB O=C(Nc1nc2ccccc2s1)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 7767847 CKCYRZUCEUUHGF-INIZCTEOSA-N 401.513 3.478 0 40 HGAB COc1ccc(S(N)(=O)=O)cc1C(=O)N[C@H](Cc1ccccc1)c1ccccc1 8338221 MTTFXGWRTDZQJF-HXUWFJFHSA-N 410.495 3.056 0 40 HGAB O=C(c1ccccc1Cl)N1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 8423212 NDDHYDXMUUEFNZ-UHFFFAOYSA-N 418.946 3.366 0 40 HGAB O=S(=O)(c1ccc2oc(Nc3ccc(F)c(Cl)c3)nc2c1)N1CCOCC1 8512827 XPGOOPHHWCIJBU-UHFFFAOYSA-N 411.842 3.385 0 40 HGAB NS(=O)(=O)c1ccc(NC(=O)c2ccc3c(c2)C[C@H](c2ccccc2)OC3=O)cc1 8951720 SDJHXQXNHOXKIQ-HXUWFJFHSA-N 422.462 3.041 0 40 HGAB CSCC[C@H](NS(=O)(=O)c1cc(C)ccc1C)C(=O)Nc1cc(C)ccn1 9337114 ZPOHHFRGVSGJNJ-INIZCTEOSA-N 407.561 3.046 0 40 HGAB O=C(Cn1c(=O)cnc2ccccc21)N1CCC(c2nc3ccccc3s2)CC1 9954116 FQQCPLHJYUGYRW-UHFFFAOYSA-N 404.495 3.412 0 40 HGAB Cc1c(NS(=O)(=O)c2ccccc2)cccc1C(=O)Nc1ccccc1C(N)=O 10331896 ROQYUQIPIZVQPZ-UHFFFAOYSA-N 409.467 3.147 0 40 HGAB COc1cc(OC)cc(C(=O)OCC(=O)Nc2cc(Cl)c(OC)cc2OC)c1 10787370 QWQBXHSGLDOBPF-UHFFFAOYSA-N 409.822 3.170 0 40 HGAB COc1cc(NC(=O)[C@H]2CC(=O)N(c3cccc(C)c3C)C2)ccc1N1CCCC1=O 11753297 VFEMNODMTFGLIK-KRWDZBQOSA-N 421.497 3.430 0 40 HGAB O=C(Cn1cnc2c(cnn2-c2ccc(Cl)cc2)c1=O)N1CCCc2ccccc21 11758423 OQRUOOZYADXYEY-UHFFFAOYSA-N 419.872 3.215 0 40 HGAB O=C(Nc1cccc(C(F)(F)F)c1)c1cc(C2CC2)n([C@@H]2CCS(=O)(=O)C2)n1 12229675 RARYEAJJXRAJCF-CQSZACIVSA-N 413.421 3.391 0 40 HGAB CN(C1CCCCC1)S(=O)(=O)c1ccc(SCc2ccc(C(N)=O)cc2)nc1 12515926 NJWYBQDQCUFDDE-UHFFFAOYSA-N 419.572 3.426 0 40 HGAB COc1ccc2cc([C@H](c3nnnn3C(C)(C)C)N3CCC[C@@H](C)C3)c(=O)[nH]c2c1 12833919 YLUAFORFLJFDMP-AUUYWEPGSA-N 410.522 3.100 0 40 HGAB Cc1cc(C(=O)CN(C)S(=O)(=O)c2ccc(F)cc2)c(C)n1-c1nccs1 12852711 OKHADNIKJFWEHR-UHFFFAOYSA-N 407.492 3.193 0 40 HGAB CS(=O)(=O)c1ccc(C(=O)Nc2ccc(N3CCc4sccc4C3)nc2)cc1 12916746 XBDCGQANAGILTE-UHFFFAOYSA-N 413.524 3.362 0 40 HGAB COc1ccc2cc([C@@H](C)C(=O)NCc3ccc(N4CCOCC4)nc3)ccc2c1 13004872 RIPGDCAXQRMPBK-QGZVFWFLSA-N 405.498 3.500 0 40 HGAB Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)N3CCN(c4nccs4)CC3)c12 13011372 HJWPAHMIMRBKCS-UHFFFAOYSA-N 418.526 3.363 0 40 HGAB CN1C(=O)COc2ccc(C(=O)CSc3nnc4c(n3)[C@]3(C)CC[C@H]4C3(C)C)cc21 13568799 WGOGWCZKZMGIES-DMZKTXOQSA-N 424.526 3.377 0 40 HGAB C[C@@H]1Cc2ccccc2N1C(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O 13612176 SYQQNBYHRJCYPY-CYBMUJFWSA-N 423.332 3.193 0 40 HGAB O=C(CSc1ccc(NC(=O)C2CC2)nn1)Nc1ccc(OC(F)(F)F)cc1 13701992 LKYYXVZNTBOCOT-UHFFFAOYSA-N 412.393 3.455 0 40 HGAB Cc1nc2ncnn2c(O)c1CCC(=O)Nc1ccc(OCc2ccccc2)cc1 13725484 FXAXITHEIHDRPU-UHFFFAOYSA-N 403.442 3.289 0 40 HGAB COc1ccc(S(=O)(=O)NCC2CCC(C(=O)Nc3cccc(C)n3)CC2)cc1 13732244 FWASRYNHXBXLTB-UHFFFAOYSA-N 417.531 3.122 0 40 HGAB Cc1c(Cl)cccc1NC(=O)CNC(=O)[C@@H](C)NC(=O)OCc1ccccc1 14246140 SGVZEVCBSGORRY-CQSZACIVSA-N 403.866 3.018 0 40 HGAB Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@@H]2[C@@H]2CCCN21 15996803 VLLJMMUWEYSLRX-QPXQOZNCSA-N 421.884 3.080 0 40 HGAB COc1ccc(S(=O)(=O)Nc2ccc(Br)cc2F)cc1NC(C)=O 16129512 MXSKWFTZPHBNLI-UHFFFAOYSA-N 417.256 3.356 0 40 HGAB COc1cc(Cc2c3cc(OC)c(OC)cc3cc[n+]2C)c(NC(C)=O)cc1OC 16321140 WCGKVHLXRZALSF-UHFFFAOYSA-O 411.478 3.248 0 40 HGAB C[C@@H](Oc1cccc(F)c1)C(=O)N1CCN([C@H](c2ccccc2)c2nccn2C)CC1 19079083 ROXDDMLFTRKKQE-XMSQKQJNSA-N 422.504 3.260 0 40 HGAB Cc1nccn1[C@H](C)CC(=O)N1[C@H]2CC[C@@H]1CC(O)(Cn1ccc3ccncc31)C2 19287611 GDFBIKVFAVZOJU-WHPUMZMWSA-N 407.518 3.077 0 40 HGAB O=C(N1CCC(Oc2cccnc2)CC1)C12C[C@@H]3C[C@H](C1)CC(n1cncn1)(C3)C2 19339777 RIGLBWOETDNSEI-WVKNIADZSA-N 407.518 3.039 0 40 HGAB Cc1[nH]c2ccccc2c1C(=O)N1CCC[C@H]1c1ccc(C(=O)N2CCOCC2)cn1 19708194 VMDXGAIOGHJDQZ-NRFANRHFSA-N 418.497 3.321 0 40 HGAB COCCC(=O)N1CCC[C@@H](c2ccc3c(NCc4ccc(F)cc4)n[nH]c3n2)C1 19742762 WUIIIUBQFSOFBN-MRXNPFEDSA-N 411.481 3.452 0 40 HGAB C[C@H](NC(=O)CN(c1ccccc1Br)S(C)(=O)=O)c1ccccc1 20237644 NWIGPMDEDMJEHK-ZDUSSCGKSA-N 411.321 3.093 0 40 HGAB CC(=O)Nc1ccc(NC(=O)C2CCN(c3ccc4nnc(C(C)C)n4n3)CC2)cc1 20721646 UWQQYNCMYDOFJR-UHFFFAOYSA-N 421.505 3.061 0 40 HGAB COC(=O)c1ccccc1NC(=O)CN(c1ccccc1C(C)C)S(C)(=O)=O 22381672 FBQYZVQZKGMETA-UHFFFAOYSA-N 404.488 3.001 0 40 HGAB Cc1cc(C)c(N(CC(=O)NCc2cccc(OC(C)C)c2)S(C)(=O)=O)c(C)c1 22400688 PIPCJJPZWNUXGX-UHFFFAOYSA-N 418.559 3.481 0 40 HGAB O=C(NCc1cccc(NC(=O)C2CC2)c1)NCc1cccc(NC(=O)C2CC2)c1 24986535 JBPUNXLRHZFXQV-UHFFFAOYSA-N 406.486 3.383 0 40 HGAB Cn1nc(C(=O)NC[C@@H](c2ccccc2Cl)c2c[nH]c3ccccc23)ccc1=O 25180467 NSRHAKAHALBUEY-INIZCTEOSA-N 406.873 3.477 0 40 HGAB CN1CCN(C(=O)C2CCN(C(=O)/C=C/c3ccccc3)CC2)[C@H](c2ccccc2)C1 30029629 OTEFZKBMPVMJMC-BYUVYSIJSA-N 417.553 3.454 0 40 HGAB O=C(NC1CCN(C(=O)c2ccoc2)CC1)C1CCN(c2nc3ccccc3o2)CC1 30877349 FPAJOSXOYQWIGN-UHFFFAOYSA-N 422.485 3.058 0 40 HGAB O=C(Cc1n[nH]c(=O)c2ccccc12)N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1 30964972 ZZEFULRWDRIBCP-QFIPXVFZSA-N 423.476 3.442 0 40 HGAB O=C(Nc1ccc2[nH]cc([C@H](C(=O)O)N3CCC(C(=O)O)CC3)c2c1)c1ccccc1 32106003 RMSZLZDXAWVVIX-HXUWFJFHSA-N 421.453 3.343 0 40 HGAB O=C(N[C@H](c1cccs1)C1CCCC1)c1ccc(S(=O)(=O)N2CCOCC2)o1 32398017 AXCWYGXREMQPQW-SFHVURJKSA-N 424.544 3.023 0 40 HGAB COc1cc(C[C@H]2CO[C@H](c3ccc(O)c(OC)c3)[C@H]2COC(C)=O)ccc1O 35271475 LVYMIYJFCKIBMR-PNLZDCPESA-N 402.443 3.225 0 40 HGAB biogenic C[C@H]1CCCN(Cc2ccccc2CNC(=O)Cn2cccc(C(F)(F)F)c2=O)C1 36390730 IMRUZDXJRLHIMC-INIZCTEOSA-N 421.463 3.415 0 40 HGAB COc1cccc(C(=O)CSc2nc3sc4c(c3c(=O)n2N)CCCC4)c1 36646175 CPGRHJSHSDVQMH-UHFFFAOYSA-N 401.513 3.034 0 40 HGAB CN(C(=O)CN1C(=O)N[C@](C)(c2ccccc2C(F)(F)F)C1=O)c1ccccc1 40116701 GNLWPJFZBIHFAJ-LJQANCHMSA-N 405.376 3.135 0 40 HGAB CCOc1cccc2c1OCC(C(=O)Nc1ccc(C(=O)c3nccn3C)cc1)=C2 40131011 WWZOYHAIEYNLPI-UHFFFAOYSA-N 403.438 3.464 0 40 HGAB C[C@@H]1Oc2ccccc2N(CC(=O)N2CCCC[C@H]2c2nc3ccccc3n2C)C1=O 40156278 WEEBCMGVPRVTEN-JXFKEZNVSA-N 418.497 3.441 0 40 HGAB Cc1sc2nc(CN3CCOCC3)nc(N3CCC(N(C)C(C)C)CC3)c2c1C 48263712 IECHLESVINDSPO-UHFFFAOYSA-N 417.623 3.449 0 40 HGAB Cc1ccccc1N1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(F)c(Cl)c3)C2)CC1 57416658 QJJKPBRRLGUVLS-INIZCTEOSA-N 415.896 3.489 0 40 HGAB CCCc1nnc2c(=O)n(CC(=O)Nc3cccc(SC)c3)c3ccccc3n12 57522702 QRNMJFQGDAVBNJ-UHFFFAOYSA-N 407.499 3.357 0 40 HGAB CC(C)CCn1c(=O)c2ccccc2n(CC(=O)N[C@H](C)CCc2ccccc2)c1=O 57526054 LQXRVTANGAEHHF-LJQANCHMSA-N 421.541 3.347 0 40 HGAB O=C(CN1CCN(C(=O)c2ccccc2OC(F)F)CC1)Nc1ccccc1Cl 57621674 OYBPBKDXHZMAPB-UHFFFAOYSA-N 423.847 3.338 0 40 HGAB CCOC(=O)C1=C(CN2CCCCCC2)NC(=O)N[C@@H]1c1ccc(OCC)cc1 67287673 BTDQWHMJDZIARB-HXUWFJFHSA-N 401.507 3.132 0 40 HGAB CCOC(=O)c1csc(N(C)S(=O)(=O)c2ccc(OC3CCCC3)cc2)n1 72312868 WSMSLJNQHOKCJS-UHFFFAOYSA-N 410.517 3.466 0 40 HGAB O=C(COc1ccccc1)N1CCC[C@@H](c2cncc(-c3ccc(CO)cc3)n2)C1 72359478 IHQNRYHUDZSNEB-HXUWFJFHSA-N 403.482 3.421 0 40 HGAB C[C@H](CC(=O)NC1CCN(CC2(c3cccc(F)c3)CCCC2)CC1)n1cncn1 72393453 WLTWJHKEASXPQE-GOSISDBHSA-N 413.541 3.461 0 40 HGAB Cc1cc(C)nc(N2CCC[C@H](C(=O)NCCc3nc(C(C)(C)C)cs3)C2)n1 79484861 QLDPHXIXUCICLW-INIZCTEOSA-N 401.580 3.423 0 40 HGAB COc1cc(NC(=O)N2CCOC[C@H]2C[C@H](O)c2ccccc2)ccc1NC(C)=O 89265519 ULRBFXUBDMRXKR-QUCCMNQESA-N 413.474 3.010 0 40 HGAB CCCS(=O)(=O)Nc1ccc(NC(=O)N2CCc3c(nc(C(C)C)n3C)C2)cc1 95996547 CZBHRVXNTWUZRB-UHFFFAOYSA-N 419.551 3.285 0 40 HGAB O=C(CCNC(=O)c1ccc(F)cc1F)N[C@H]1CCO[C@H](c2ccc(F)cc2)C1 96013946 PAANAIMLHGSJTM-LPHOPBHVSA-N 406.404 3.260 0 40 HGAB Cc1cc(S(=O)(=O)N2CC[C@H](S(=O)(=O)c3ccc(Cl)cc3)C2)ccc1F 96103498 UGHBFFVTGFYXPE-INIZCTEOSA-N 417.911 3.024 0 40 HGAB CN1c2cc(C(=O)N3CCN(c4ccc(F)cc4)CC3)ccc2C(=O)N2CCCC[C@H]21 97113025 HWHVSKAXWKQGLB-QFIPXVFZSA-N 422.504 3.190 0 40 HGAB CSc1ccc(CN(C)C(=O)CN(C)C(=O)c2ccc(Br)o2)cc1 97497608 LTXVXGXIIBYHJP-UHFFFAOYSA-N 411.321 3.495 0 40 HGAB Cc1ccc(N2C(=O)/C(=C\c3ccc4c(c3)OCO4)N=C2S[C@H](C)C(N)=O)cc1 97653183 GCZRKBOEMWVXNW-BPKVKKHESA-N 409.467 3.074 0 40 HGAB Cc1cc(C)nc(-n2[nH]c3ncc4c(c3c2=O)C[C@H](c2ccc(F)cc2)CC4=O)n1 100137684 YWQVOXVQDUGHPI-AWEZNQCLSA-N 403.417 3.172 0 40 HGAB Cc1cc(O[C@@H](C)C(=O)NC[C@H]2CC[C@H](C(=O)O)CC2)c2c(C)cc(=O)oc2c1 100763992 XWURMJXPBINAQM-HRCADAONSA-N 401.459 3.184 0 40 HGAB COc1ccc2c(c1)[C@H]1C[C@](C)(O2)N(C)C(=O)[C@@H]1S(=O)(=O)c1ccc(C)c(C)c1 100893902 VNXZQQDHECMJME-UZKOGDIHSA-N 415.511 3.209 0 40 HGAB CCOc1ccc(N(CCCC(=O)NCCCc2ccccc2)S(C)(=O)=O)cc1 222622600 JNYSRNHKPYKREJ-UHFFFAOYSA-N 418.559 3.381 0 40 HGAB Cc1ccc(CN(CC(=O)Nc2cccc(Br)c2)S(C)(=O)=O)cc1 222640552 OCIDBIMXZPXHLD-UHFFFAOYSA-N 411.321 3.158 0 40 HGAB COCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1C[C@@H]1CCCO1 223047200 JMDQHMYQOQEKLZ-PWIZWCRZSA-N 400.548 3.071 0 40 HGAB COc1ccccc1[C@@H](C)NC(=O)CN(c1ccccc1C(C)C)S(C)(=O)=O 223145014 LEAGYEFAXRBVNM-MRXNPFEDSA-N 404.532 3.462 0 40 HGAB CN(C)CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccccn1 223212420 OHHHFYAQOIDZFC-NHCUHLMSSA-N 406.559 3.192 0 40 HGAB COc1ccc(CCCNS(=O)(=O)c2ccc(SC)c(NC(C)=O)c2)cc1 223225744 ISBLPCGWMOUSSN-UHFFFAOYSA-N 408.545 3.287 0 40 HGAB CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCc1ccc(Cl)cc1 223347190 UXSCVINDZBOSFB-GOSISDBHSA-N 410.923 3.210 0 40 HGAB COc1ccc(F)cc1S(=O)(=O)N(C)Cc1nc(-c2ccccc2Cl)no1 223782455 BHHYQAHYEXJMBG-UHFFFAOYSA-N 411.842 3.358 0 40 HGAB Cc1cccc(N(CCCC(=O)NCCOc2ccc(C)cc2C)S(C)(=O)=O)c1 224627484 CLHMXILHEHDSLK-UHFFFAOYSA-N 418.559 3.353 0 40 HGAB CN(Cc1ccccc1)S(=O)(=O)c1ccc(OCC(=O)NCC(C)(C)C)cc1 226087835 TYDABDPNULZXCG-UHFFFAOYSA-N 404.532 3.048 0 40 HGAB Cc1ncc(-c2cncc([C@@H]3CCCN(C(=O)c4ccc5[nH]cnc5c4)C3)n2)n1C 257235125 GWOHBQLEFTYOCW-MRXNPFEDSA-N 401.474 3.082 0 40 HGAB O=C(CNC(=O)C1(Cc2ccc(-c3ccncc3)cc2)CCOCC1)N1CCCCC1 257281543 OPSBIJKAPBXECJ-UHFFFAOYSA-N 421.541 3.217 0 40 HGAB O=C(NC[C@H]1CC[C@H](C(=O)NCCN2CCc3ccccc32)CC1)[C@H]1CC=CCC1 257340107 ZEPAUKZNFUCDIO-BVSLBCMMSA-N 409.574 3.444 0 40 HGAB CC(=O)O[C@H]1C[C@@H]2[C@H]([C@H](OC(C)=O)C[C@H]3CCCC[C@@]32C)[C@]2(O)C(=O)CC[C@@]12C 257349433 OCASYMYIISJFFR-JGHKXJJWSA-N 406.519 3.186 0 40 HGAB COc1ccc(NC(=O)c2nnc3n2C[C@@H]2CN(Cc4cccc(C)c4)C[C@H]2C3)cc1 306128027 GOFMJAADXKARMN-MOPGFXCFSA-N 417.513 3.152 0 40 HGAB Cc1ccc(CN2CC[C@@]3(COCc4cnc(N5CCC(F)(F)CC5)nc43)C2)cn1 306134648 NUJMLHJYXMMRCU-NRFANRHFSA-N 415.488 3.089 0 40 HGAB Cc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)c(C)n1-c1ccncc1 408549879 ATBJIJQGHGQJHQ-LDADJPATSA-N 410.499 3.148 0 40 HGAB COc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCC3)c2)cc1OC 408560637 ZZWKOCIRGXVULL-UHFFFAOYSA-N 404.488 3.049 0 40 HGAB O=C(CCCN1c2cccc3cccc(c23)S1(=O)=O)Nc1ccc2c(c1)OCO2 408703362 FKZGPPINLJCCBN-UHFFFAOYSA-N 410.451 3.496 0 40 HGAB Cc1ccc(NC(=O)Cn2nc(CNC(=O)c3ccccc3C)n(C)c2=S)cc1 409153094 CNWGOZHHGJZOLE-UHFFFAOYSA-N 409.515 3.137 0 40 HGAB O=C(CN1C(=O)S/C(=C\c2ccc(Cl)cc2Cl)C1=O)NC[C@H]1CCCO1 409217022 NFTDVPACEQJQQT-KXQKXUNCSA-N 415.298 3.325 0 40 HGAB CC(C)NS(=O)(=O)c1ccc(OCC(=O)Nc2c(F)cccc2F)c(Cl)c1 409378556 QDLGSYDRKSOHLR-UHFFFAOYSA-N 418.849 3.322 0 40 HGAB COc1ccc2[nH]cc(C3CCN(C(=O)[C@]45[C@H]6C(=O)[C@H]7[C@H]8C[C@@H]([C@@H]74)[C@H]5[C@H]86)CC3)c2c1 503177418 JJCDULWJRQSVDU-TYPDIGGTSA-N 402.494 3.210 0 40 HGAB CCOC(=O)C1=C(N)Oc2c(ccc3cccnc23)[C@@]12C(=O)N(CC)c1ccccc12 524734231 LHHKKHYWFBEFJF-XMMPIXPASA-N 415.449 3.013 0 40 HGAB O=C(c1ccc(Cn2ccnc2)cc1)N1CC(Oc2cccc(C(F)(F)F)n2)C1 575607543 MPRZEALFOYRZIM-UHFFFAOYSA-N 402.376 3.249 0 40 HGAB C[C@@H](C(=O)N1CCN(c2cccc(Cl)c2Cl)CC1)n1nc(C2CC2)ccc1=O 575609366 WUNFOPBBGCNDGX-ZDUSSCGKSA-N 421.328 3.337 0 40 HGAB CCCN1Cc2ccccc2N(C(=O)CC)CC[C@H]2CCC[C@@H](C1)N2C(=O)COC 643580646 YZWNINUZNSXKTB-RTWAWAEBSA-N 415.578 3.441 0 40 HGAB CC(=O)N1CCCN(C2CCOCC2)CCCN(C(=O)C2CC2)Cc2ccccc21 643581167 BIRITRIXXILCQU-UHFFFAOYSA-N 413.562 3.053 0 40 HGAB Cn1c(C(=O)NCc2cccs2)nc2c1CCN(C(=O)[C@]1(C)CC=CCC1)CC2 1565555419 ABNATSAOZPSQMO-JOCHJYFZSA-N 412.559 3.085 0 40 HGAB Cc1cccc(C(=O)N2CCN3CC(=O)Nc4cc(C(C)C)ccc4OC[C@@H]3C2)c1 1772594578 NARBANFWKHPPTC-FQEVSTJZSA-N 407.514 3.276 0 40 HGAB Cc1ccccc1OCc1nnc(SCC(=O)Nc2ccc3c(c2)OCO3)n1C 881605 PDFWNUSPUQQXBV-UHFFFAOYSA-N 412.471 3.162 0 40 HGAB Cc1cc(C)c2cc([C@H](c3nnnn3Cc3ccccc3)N3CCCC3)c(=O)[nH]c2c1 894643 OGQJSHLRAFXAFV-JOCHJYFZSA-N 414.513 3.365 0 40 HGAB COc1ccc(-c2noc(CCC(=O)Nc3ccc(NC(C)=O)cc3)n2)cc1OC 2205839 RVIYKFGUYVQPDR-UHFFFAOYSA-N 410.430 3.284 0 40 HGAB O=C([C@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1)N1CCN(c2ccccc2F)CC1 2954406 VSSLALQRQYGYEJ-AWEZNQCLSA-N 419.859 3.320 0 40 HGAB CCOc1ccccc1NC(=O)COC(=O)COc1cccc(Br)c1 3315303 CDFAGTZBNZVAAR-UHFFFAOYSA-N 408.248 3.409 0 40 HGAB Cc1ccc(N2C(=O)N(CC(=O)Nc3ccc(OC(F)F)cc3)C(=O)[C@H]2C)cc1 3337491 PIESKFYADYXQKK-CYBMUJFWSA-N 403.385 3.392 0 40 HGAB COc1ccc2[nH]c3c(c2c1)CCN1C(=O)CN(Cc2ccc(C)cc2)C(=O)[C@]31C 4047210 VIDSRVFKQNLDKH-DEOSSOPVSA-N 403.482 3.127 0 40 HGAB biogenic CCc1ccccc1N(C(=O)c1ccc(OC)c(OC)c1)[C@H]1C=CS(=O)(=O)C1 4165564 KQOLXMYLPQZMRJ-KRWDZBQOSA-N 401.484 3.224 0 40 HGAB CCOc1ccc2[nH]c(=O)c(CN(CCN(C)C)C(=O)NCc3ccccc3)cc2c1 4231294 CARWCYDHOFZNEE-UHFFFAOYSA-N 422.529 3.200 0 40 HGAB COC(=O)[C@H]1[C@H](c2ccc(Br)cc2)N1S(=O)(=O)c1ccc(C)cc1 4293687 VRNANQYWHOYGEU-GWFKTICUSA-N 410.289 3.045 0 40 HGAB COC(=O)c1ccc([C@H]2C(C(=O)Nc3ccc(C)cc3C)=C(C)Nc3nnnn32)cc1 4879467 YDHQMJAPMRKSAF-IBGZPJMESA-N 418.457 3.004 0 40 HGAB COc1ccc(N2CCCS2(=O)=O)cc1NC(=O)c1cc(Cl)ccc1OC 5075973 UJTYOTORTKWSNL-UHFFFAOYSA-N 410.879 3.149 0 40 HGAB COc1ccccc1-c1ccc(SCC(=O)NCc2ccc3c(c2)OCO3)nn1 5107969 YKUJFNKYXFYURP-UHFFFAOYSA-N 409.467 3.289 0 40 HGAB O=C(c1cccs1)N(Cc1cccc(Br)c1)[C@@H]1CCS(=O)(=O)C1 5529192 CQBOPLZFIGBUPB-CQSZACIVSA-N 414.346 3.340 0 40 HGAB COc1ccc(NC(=O)CSc2nnc(-c3cccc(F)c3)n2N)cc1Cl 5676191 AOLNVGYPFGAFFQ-UHFFFAOYSA-N 407.858 3.191 0 40 HGAB C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)NCCc2ccccn2)c1 5688880 INOYFRWUVAQTDC-QGZVFWFLSA-N 421.522 3.194 0 40 HGAB Cc1cccc(NC(=O)[C@@H](NS(=O)(=O)c2ccc3c(c2)OCCO3)C(C)C)c1C 6779610 QCHSZJHOSANBCU-FQEVSTJZSA-N 418.515 3.016 0 40 HGAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)Sc1ccc(S(=O)(=O)N(C)C)cn1 7181912 NAGHPFXWUPXMSH-CYBMUJFWSA-N 403.529 3.485 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCCc3ccccc3)CC2)cc1 7683948 CGIMHERGHYFECX-UHFFFAOYSA-N 400.544 3.145 0 40 HGAB O=C(CCc1cccs1)NN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O 8129803 WPMULQCNQQLYJI-UHFFFAOYSA-N 405.479 3.208 0 40 HGAB Cc1ccccc1Cn1c(=O)c2c(nc3n2CCN3c2ccc(Cl)cc2)n(C)c1=O 9406695 KSRNEOQYAHUEED-UHFFFAOYSA-N 421.888 3.059 0 40 HGAB CCn1c(CC(=O)Nc2cc(C)ccc2C)nnc1SCC(=O)NC1CCCC1 9614953 TTYFAZBNJDPMRS-UHFFFAOYSA-N 415.563 3.247 0 40 HGAB C[C@H](NC(=O)c1ccccc1NC(=O)CSc1nnnn1C1CC1)c1ccccc1 9712413 DKBVOONWLCVWER-AWEZNQCLSA-N 422.514 3.230 0 40 HGAB O=C(Cc1csc(NS(=O)(=O)c2ccccc2)n1)NCc1c(F)cccc1F 9828732 AREIXSLKPIQQCZ-UHFFFAOYSA-N 423.466 3.081 0 40 HGAB C[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)Nc1cccc(Cl)c1 10041557 PFIBAHQEUXQFBM-SNVBAGLBSA-N 417.712 3.408 0 40 HGAB COc1ccc(F)cc1S(=O)(=O)N1CCC(C(=O)N[C@@H](C)c2ccccc2)CC1 10302827 FAFFBBASDDORCS-HNNXBMFYSA-N 420.506 3.112 0 40 HGAB COc1ccc(C(=O)N2CCc3cc(S(=O)(=O)NC4CCCC4)ccc32)cc1 10386695 JZUVKYVFYMESDH-UHFFFAOYSA-N 400.500 3.119 0 40 HGAB COc1ccc(-c2cc3nc([C@@H](C)NC(=O)[C@H]4CCC[C@H](OC)C4)nn3cn2)cc1 12085085 DAPRARFVTOPTAE-HFTRVMKXSA-N 409.490 3.182 0 40 HGAB Cc1cc(-c2cnc(N(C)C)nc2-c2ccc(CNC(=O)C[C@H]3CCCO3)cc2)on1 12159320 JIWMSVDCRYUZHQ-GOSISDBHSA-N 421.501 3.358 0 40 HGAB COC(=O)c1cccc(NC(=O)c2ccc(N3CCCCS3(=O)=O)cc2Cl)c1 12194817 IXNLNTFTEDFGAN-UHFFFAOYSA-N 422.890 3.309 0 40 HGAB CCN(CC)[C@@H](CNC(=O)CCNC(=O)c1ccsc1)c1cccc(OC)c1 12751282 KWMUWGXWPMYYHO-IBGZPJMESA-N 403.548 3.076 0 40 HGAB Cc1ccc(C(=O)NCC(=O)Nc2nc(CN3C[C@H](C)C[C@@H](C)C3)cs2)cc1 12783491 RYPZKVJXHBLMLG-HZPDHXFCSA-N 400.548 3.298 0 40 HGAB O=C(Cn1nnc(-c2cccs2)n1)N1N=C(c2cccs2)C[C@H]1c1ccco1 12791221 AXXSPKMWDFPSSO-ZDUSSCGKSA-N 410.484 3.434 0 40 HGAB COc1ccc(CCC2CCN(C(=O)c3ccc(C)c(S(N)(=O)=O)c3)CC2)cc1 12914707 ODIPVEYAVPPSJP-UHFFFAOYSA-N 416.543 3.136 0 40 HGAB C[C@@H](OC(=O)c1ccccc1SC(F)F)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 12921147 YIGNHXNRDFXCEK-SECBINFHSA-N 407.398 3.355 0 40 HGAB O=C(Nc1nc(CN2CCCC2)cs1)[C@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 12975468 SDGLVCBWCXMWKW-KRWDZBQOSA-N 410.543 3.219 0 40 HGAB Cc1ccc(C(=O)CCC(=O)N2CCN(CC(=O)Nc3c(C)cccc3C)CC2)cc1 12994216 XTZMOMFQSZTPJA-UHFFFAOYSA-N 421.541 3.358 0 40 HGAB CCOC(=O)/C=C/c1ccc(NC(=O)[C@@H]2CC(=O)N(CCc3ccccc3)C2)cc1 13001435 CAGMIPFZTBEAOT-XEDBTPMOSA-N 406.482 3.293 0 40 HGAB Cc1ccc(SCC(=O)N2CCN(Cc3nnc4n3CCCCC4)CC2)c(C)c1 14245854 RMXHNBYJHIVCSV-UHFFFAOYSA-N 413.591 3.058 0 40 HGAB O=C(NCc1nnc2ccc(C(F)(F)F)cn12)c1ccc(NC(=O)C2CC2)cc1 14249184 XLUJDXDMUYGVEB-UHFFFAOYSA-N 403.364 3.027 0 40 HGAB COc1ccc(-c2nc3n(n2)[C@H](C(=O)Nc2cccc(Cl)c2C)CC(=O)N3)cc1 14607340 CYNUUFGWGDHAML-INIZCTEOSA-N 411.849 3.438 0 40 HGAB CSc1cc(Cl)c(C(=O)Nc2ccccc2)cc1S(=O)(=O)n1cc[nH]c1=O 16958870 KFZUZNQKWCGRSL-UHFFFAOYSA-N 423.903 3.041 0 40 HGAB C[C@H](Oc1ccc(Br)cc1)c1nnc(SCC(=O)NC2CC2)n1C 17088788 JZHYAYILONPWME-JTQLQIEISA-N 411.325 3.088 0 40 HGAB CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cnc(-c3ccccc3)nc2)c1 17524465 NYPCDACWOVOWBO-UHFFFAOYSA-N 416.890 3.300 0 40 HGAB Cn1nccc1C(=O)C1CCN(C(=O)CSc2nc3ccccc3s2)CC1 19289071 KWIZVKWRYBFWKA-UHFFFAOYSA-N 400.529 3.243 0 40 HGAB CCCn1ncc(CN2CCC[C@@H](c3ncc(Cl)cc3S(C)(=O)=O)C2)c1C 19525938 BIZRJIAOJTXNLL-OAHLLOKOSA-N 410.971 3.433 0 40 HGAB CCN1CCN(C(=O)c2ccccn2)C[C@H](Cc2cccc(-c3cccnc3)c2)C1=O 19527563 WWORHQYUHQJODN-QFIPXVFZSA-N 414.509 3.307 0 40 HGAB COc1ccc(-c2cnc(N(C)C)nc2[C@H]2CN(c3cc(C)nc(C)n3)CCO2)cc1 19692827 QACVWIXNAUJBOW-HXUWFJFHSA-N 420.517 3.203 0 40 HGAB COc1cc2nc(C)n(CC(=O)N(C)Cc3ccc4c(c3)C[C@@H](C)O4)c2cc1OC 19718840 STTPZEXGAITACQ-CQSZACIVSA-N 409.486 3.344 0 40 HGAB C[C@H]1C(=O)N(CC(=O)Nc2ccc(Br)cc2)C(=O)N1c1ccc(F)cc1 20670866 ZGCZCVJJTJSISX-NSHDSACASA-N 420.238 3.384 0 40 HGAB Cn1cc(C(=O)N2CCN(C(=O)COc3ccc(Cl)cc3)CC2)c2ccccc21 20739574 SJRDUTXJWFLQBF-UHFFFAOYSA-N 411.889 3.195 0 40 HGAB Cc1cc(C)c(C(=O)[C@@H](C)Sc2nnc(C[C@@H]3CCS(=O)(=O)C3)o2)cc1C 21624506 FHKGSADFPZVNAP-CABCVRRESA-N 408.545 3.336 0 40 HGAB C[C@H]1CN(C[C@@H]2COc3ccccc3O2)[C@H](C)CN1C[C@@H]1COc2ccccc2O1 23478545 GVENRJUFJRVVJY-IYWMVGAKSA-N 410.514 3.061 0 40 HGAB O=S(=O)(NCc1nc(-c2cccs2)no1)c1ccc(Br)cc1 24577269 YVYRJFUYNJKYTC-UHFFFAOYSA-N 400.279 3.039 0 40 HGAB O=C(CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)Nc1cccc(COc2cccc(F)c2)c1 26008343 OMQKPMQEHWGOSG-PMACEKPBSA-N 408.429 3.294 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)N[C@H](C)c1ccc(C)cc1 30864915 JKEWEIKSNVWNMC-MRXNPFEDSA-N 402.516 3.279 0 40 HGAB O=C(c1csc(-c2ccccc2)n1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 32740601 NFUWLRUMRXOKDA-UHFFFAOYSA-N 407.495 3.497 0 40 HGAB CC(=O)N1C[C@H](C(=O)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)Oc2ccccc21 32892911 SRMJNBBGPIPRCY-IIBYNOLFSA-N 404.470 3.083 0 40 HGAB O=C(OC[C@H]1O[C@H](O)C[C@@H]1OC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 34545242 XJEOZSVPBFXRNX-BBWFWOEESA-N 411.237 3.483 0 40 HGAB CC1(C)Cc2ccccc2-c2nnc(SCC(=O)NCc3ccc4c(c3)OCO4)n21 35311559 UWCUBUHNABVLJE-UHFFFAOYSA-N 422.510 3.374 0 40 HGAB Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)OC(=O)c1ccc2ncsc2c1 39640222 BDURTNOEBZURDS-CQSZACIVSA-N 411.483 3.213 0 40 HGAB CCN(CC(=O)NC1CCCCCC1)S(=O)(=O)c1ccc(Br)cc1 39985173 GEKNNVHOKUBVPA-UHFFFAOYSA-N 417.369 3.299 0 40 HGAB CC(=O)c1sc(NC(=O)Cc2nc3nc(C)cc(C)n3n2)nc1-c1ccccc1 40089903 GKQPUOFHYIVASN-UHFFFAOYSA-N 406.471 3.248 0 40 HGAB CC[C@@H](NC(=O)[C@@H](C)N(c1ccc(F)cc1)S(C)(=O)=O)c1ccc(OC)cc1 44901288 MNZOOKQEZDFTIT-AUUYWEPGSA-N 408.495 3.256 0 40 HGAB COc1ccc([C@@H](C)NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)cc1 44904349 RHCJGNRHSQVNRK-GDBMZVCRSA-N 408.545 3.035 0 40 HGAB CCN(c1ccc2sc(C(=O)NC)cc2c1)S(=O)(=O)c1ccc(OC)cc1 46073609 ZCFIMDQXTFJMKQ-UHFFFAOYSA-N 404.513 3.485 0 40 HGAB Cc1cccc(N2C[C@H](C(=O)NCc3ccccc3-n3ccnc3C)CC2=O)c1C 48354996 ZLUAIEKKKZPBCU-HXUWFJFHSA-N 402.498 3.467 0 40 HGAB CSc1ncc(C(=O)NCCCCN2C[C@H](C)O[C@@H](C)C2)n1-c1ccccc1 48355737 LJYDFLFZUYACKS-IRXDYDNUSA-N 402.564 3.213 0 40 HGAB COc1ccc(Cn2nc3c(-c4nc(-c5ccccc5)no4)cccn3c2=O)cc1F 49006626 CEKQLKVRNCQJBR-UHFFFAOYSA-N 417.400 3.409 0 40 HGAB O=C(Cn1c(=O)n(Cc2ccccc2F)c(=O)c2sccc21)Nc1ccccc1 57426758 ABBOZHJXRVGUBT-UHFFFAOYSA-N 409.442 3.051 0 40 HGAB CCCCN(C)C(=O)Cn1c(=O)n(Cc2ccccc2Cl)c(=O)c2sccc21 57427941 HPZFQTAKEYSUBR-UHFFFAOYSA-N 419.934 3.185 0 40 HGAB CCOc1ccccc1NC(=O)Cn1cc(-c2ccccc2)c(N2CCOCC2)n1 62006864 IEOSAMKLRNBCCU-UHFFFAOYSA-N 406.486 3.424 0 40 HGAB CN(C)S(=O)(=O)c1ccc(C(=O)N(CCc2ccccc2)Cc2ccccn2)cc1 62017935 UNFWKVGKIPREHS-UHFFFAOYSA-N 423.538 3.217 0 40 HGAB CSc1cccc(NC(=O)[C@@H]2CCN(S(C)(=O)=O)c3cc(C)ccc3O2)c1 64988617 RHTVYDUTNRPHJM-SFHVURJKSA-N 406.529 3.273 0 40 HGAB O=C(NCc1ccccn1)c1ccc(NC(=O)N2CCN(c3ccccc3)CC2)cc1 71283113 ZPWQGLPWVVABEG-UHFFFAOYSA-N 415.497 3.366 0 40 HGAB Cc1ccsc1CN1C[C@@H](C(=O)NC(C)(C)C)[C@@]2(Cc3ccccc3C(=O)N2)C1 72334508 DGGGYMVLJAYXCD-FDDCHVKYSA-N 411.571 3.128 0 40 HGAB Cc1cc(Cc2cccc(F)c2)cc([C@H]2CCN(S(=O)(=O)c3cn(C)cn3)C2)n1 72374816 JXSGIVDIEIPCNP-SFHVURJKSA-N 414.506 3.032 0 40 HGAB O=S(=O)(c1ccc2c(c1)OCCO2)N(CCc1cccs1)Cc1cccnc1 77183877 VSTFJPHMZCUPPB-UHFFFAOYSA-N 416.524 3.348 0 40 HGAB CCc1cc(C(=O)NC[C@H]2CN(C(=O)Nc3ccccc3)[C@H]3CCN2C3)sc1C 95981226 DPRWKTPLXZIUEA-OALUTQOASA-N 412.559 3.339 0 40 HGAB CCC[C@@H](NC(=O)c1ccc(OC)c(Br)n1)c1nnc2ccccn12 96005654 OMSAVNYDXQEUGJ-LLVKDONJSA-N 404.268 3.167 0 40 HGAB CCN1CC[C@@]2(CN(Cc3cccnc3)CC23CCN(Cc2ccoc2)CC3)C1=O 96036457 ZKYZCIXRMVRZRH-XMMPIXPASA-N 408.546 3.011 0 40 HGAB Cc1cc(NC(=O)CC[C@H]2NC(=O)c3ccccc3NC2=O)ccc1Br 96344650 CTJOQYACRDFVNX-MRXNPFEDSA-N 416.275 3.227 0 40 HGAB CCOCCn1/c(=N/C(=O)c2ccc(C(=O)OC)cc2)sc2cc(F)ccc21 100873512 FMCOPPUAGNHEJZ-XDOYNYLZSA-N 402.447 3.406 0 40 HGAB Cc1cc(N2C(=O)[C@@H]3[C@@H]4CC[C@H](O4)[C@@H]3C2=O)nn1Cc1c(Cl)cccc1Cl 102016863 OGYJEMNQVVWGSK-NXNVCVFFSA-N 406.269 3.213 0 40 HGAB CC1=C[C@@H]([C@H]2CC(=O)N(c3ccccc3)C2=O)CC2=C1C(=O)N(c1ccccc1)C2=O 102453711 JJEWAJQNVJSFOW-VQIMIIECSA-N 412.445 3.402 0 40 HGAB CCOC(=O)[C@@H](C(=O)CSc1nnc(-c2cccs2)n1C)c1nc(C)cs1 103035055 CGQNDTWXLFKVLO-ZDUSSCGKSA-N 422.557 3.317 0 40 HGAB CC(C)Cn1c(SCC(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)nc2ncccc2c1=O 109003048 HLXMVEOMXPHCIT-OVWQWFNUSA-N 414.575 3.481 0 40 HGAB COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCCc3ccccc3)cc2)cc1 109037032 CCYJRKPESXTFMD-UHFFFAOYSA-N 424.522 3.493 0 40 HGAB CCCCNc1ccc(S(=O)(=O)NCCc2ccc(OC)cc2)cc1C(=O)O 217617955 SVKJRWNAJOXOFK-UHFFFAOYSA-N 406.504 3.126 0 40 HGAB COc1ccc(Cl)cc1NC(=O)CN(c1ccc(F)cc1F)S(C)(=O)=O 220082777 LLRHIJVRERMAAO-UHFFFAOYSA-N 404.822 3.032 0 40 HGAB COC(=O)c1ccc(NC(=O)CCCN(c2cccc(C)c2C)S(C)(=O)=O)cc1 222628257 NJUICOCNUVBKHB-UHFFFAOYSA-N 418.515 3.275 0 40 HGAB CSc1ccc(S(=O)(=O)N(C)CC(=O)NCCSC2CCCCC2)cc1 223734186 SUAAXBFQYSXXAK-UHFFFAOYSA-N 416.634 3.211 0 40 HGAB CCCCNC(=O)c1ccccc1NS(=O)(=O)c1cc(C(=O)OC)ccc1C 223837265 FTYLZMPWXBRNPO-UHFFFAOYSA-N 404.488 3.112 0 40 HGAB CCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCc1ccc2c(c1)OCCO2 224664081 WEHVPTNNUCZTGM-SFHVURJKSA-N 410.514 3.334 0 40 HGAB CN(c1cccc(NC(=S)NCCSCc2ccccc2)c1)S(C)(=O)=O 225289770 YPGHDEHMWLCYGO-UHFFFAOYSA-N 409.602 3.302 0 40 HGAB COc1ccc(N2CCC[C@@](C)(C(=O)Nc3ccc(OC)cc3C)S2(=O)=O)cc1 225952138 ORQSHMFFQSMXLL-NRFANRHFSA-N 418.515 3.340 0 40 HGAB COc1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)c(N)c2)cc1Br 226263893 OTTYFLJMEAVOHX-UHFFFAOYSA-N 419.323 3.044 0 40 HGAB CC1(C)Cc2cc(CN3CCO[C@H](c4ncncc4-c4ccnc(N)c4)C3)ccc2O1 257234027 GRUPGLJLNSAURR-NRFANRHFSA-N 417.513 3.408 0 40 HGAB COCC(=O)N1CCC(Cc2ccc(-c3cccs3)cc2)(C(=O)N(C)C)CC1 257254269 KCKSQFWZGFDBEQ-UHFFFAOYSA-N 400.544 3.301 0 40 HGAB CCCCc1nnc(S[C@@H](C)C(=O)NCCc2ccc(OC)c(OC)c2)n1CC 408561224 ZKLVETLECQVGLO-HNNXBMFYSA-N 420.579 3.497 0 40 HGAB CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)N2CCCCC2)CC1 408561637 UMNHDVDOZRQCLC-UHFFFAOYSA-N 414.955 3.152 0 40 HGAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)N[C@H](C)c2ccccc2)cc1Cl 408598218 YBDYKOMGDNSONN-ZIAGYGMSSA-N 410.923 3.283 0 40 HGAB Cc1ccc(C)c(N2C[C@@H](C(=O)OCC(=O)Nc3ccccc3Cl)CC2=O)c1 408653061 HOACGUQDOXSUFR-HNNXBMFYSA-N 400.862 3.492 0 40 HGAB Cc1cc(C)c(C)c([C@@H]2c3c(n(C)c(=O)n(C)c3=O)N=C3c4ccccc4C(=O)[C@@H]32)c1 408733437 JGGJSPHOYSXGJJ-RBUKOAKNSA-N 413.477 3.088 0 40 HGAB O=C(O)Cn1cc(/C=C2\NC(=O)N(Cc3ccc(Cl)cc3)C2=O)c2ccccc21 408935238 NAWXAADQDSBRIX-MFOYZWKCSA-N 409.829 3.472 0 40 HGAB COc1cc(C)c(/C=C2\SC(=O)N(CC(=O)N3CCCC[C@H]3C)C2=O)cc1OC 409208528 CEAWMETVNGHXGI-JVVDOCDTSA-N 418.515 3.450 0 40 HGAB O=C(NCc1cccc2c1OCCCO2)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1 676401102 NRRPMBPOBJDUPP-UHFFFAOYSA-N 421.902 3.124 0 40 HGAB C[C@H](NC(=O)c1cc(Br)cc(N(C)C)c1)C(=O)OCc1ccccc1 1530242593 OASMAEUWYLNCNQ-ZDUSSCGKSA-N 405.292 3.377 0 40 HGAB O=C(N1CCOC[C@H](Cc2ccc3nccn3c2)C1)C1(c2ccccc2)CCOCC1 1848352692 PWKFMRPQCOPCOS-OAQYLSRUSA-N 419.525 3.100 0 40 HGAB CCn1c(Cc2ccc3c(c2)OCO3)nnc1SCC(=O)N(C(C)C)C(C)C 1325528 MZCOANYYYDTILF-UHFFFAOYSA-N 404.536 3.355 0 40 HGAB CC1(C)Cc2c(sc3c2c(=O)n(CCc2ccccc2)c2nnc(S)n32)CO1 1425824 DZDLSEWLAUQCOB-UHFFFAOYSA-N 412.540 3.488 0 40 HGAB COc1ccc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)CC(C)C)cc2)cc1 2136633 KTZOKBNSEILSJP-UHFFFAOYSA-N 421.544 3.355 0 40 HGAB CCOc1cc([C@H]2c3c(oc4c(C)cc(C)cc4c3=O)C(=O)N2CCCO)ccc1O 2438328 UIWYISFIAZNTBL-FQEVSTJZSA-N 423.465 3.442 0 40 HGAB NC(=O)c1c(NC(=O)COC(=O)Cc2ccc(Cl)cc2)sc2c1CCCC2 3308907 YYGMKWIJBRCJJD-UHFFFAOYSA-N 406.891 3.104 0 40 HGAB O=C(COC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)Nc1ccc(F)cc1 3373262 BSJFXYYDUDBWSP-UHFFFAOYSA-N 422.368 3.010 0 40 HGAB Cc1ccc(C(=O)OCC(=O)c2ccc(F)cc2)cc1S(=O)(=O)N1CCCCC1 3621953 OGZABKYHMHLBAG-UHFFFAOYSA-N 419.474 3.348 0 40 HGAB Cc1ccccc1Cn1c(=O)c2c(nc3n2C[C@@H](C)CN3c2ccccc2)n(C)c1=O 4249179 HSCWEEFKDDWAQX-INIZCTEOSA-N 415.497 3.041 0 40 HGAB CCCCOC(=O)[C@H](C)OC(=O)CCCCC(=O)O[C@@H](C)C(=O)OCCCC 4896092 SSDOIUULJQLMTQ-HOTGVXAUSA-N 402.484 3.097 0 40 HGAB COC(=O)c1ccc(NC(=O)COC(=O)c2ccc(COc3ccccc3)o2)cc1 5039973 POSQRYGSIAAJRZ-UHFFFAOYSA-N 409.394 3.441 0 40 HGAB CCc1ccc(CN(C(=O)COc2ccc(Cl)cc2)[C@H]2CCS(=O)(=O)C2)cc1 5092249 PNLBSEBJCKAHQO-IBGZPJMESA-N 421.946 3.497 0 40 HGAB CCc1ccc(CN(C(=O)COc2ccccc2Cl)[C@@H]2CCS(=O)(=O)C2)cc1 5100877 LSHCMSHAXDAFSL-GOSISDBHSA-N 421.946 3.497 0 40 HGAB CC1CCN(C(=O)CSc2nnc(COc3ccc(C(C)C)cc3)n2N)CC1 5353068 DLHCMWTYXQYGAA-UHFFFAOYSA-N 403.552 3.045 0 40 HGAB CCOc1cc([C@@H]2[C@@H]3CCCC[C@]3(O)CCN2CC(=O)N2CCCCC2)ccc1O 6464530 NHZZGNAMAAEEJA-IEXUWNMDSA-N 416.562 3.472 0 40 HGAB O=C(CSc1[nH]c(-c2ccccc2)nc1S(=O)(=O)c1ccccc1)NC1CC1 6537776 FNSMNRJEYARUAD-UHFFFAOYSA-N 413.524 3.280 0 40 HGAB O=C1S/C(=C\c2ccccc2Cl)C(=O)N1CC(=O)N1CCCC[C@H]1CCO 6660234 CYABASQBLDNRON-HNDQUVLASA-N 408.907 3.140 0 40 HGAB CC1CCN(S(=O)(=O)c2csc(C(=O)Nc3cccc(C(=O)O)c3)c2)CC1 6680678 HETDSDMVYBYREO-UHFFFAOYSA-N 408.501 3.119 0 40 HGAB CCn1c(=O)c2cc(Br)ccc2n(CC(=O)c2ccc(C)cc2)c1=O 6759680 JLYVDDWETKFIJE-UHFFFAOYSA-N 401.260 3.137 0 40 HGAB CC1=C(CC(=O)NCC(=O)O)c2cc(F)ccc2/C1=C\c1ccc([S@@](C)=O)cc1 6759749 YHIPTYHDOZQZLO-QFXHDXKSSA-N 413.470 3.482 0 40 HGAB CC(C)(C)C1CCC(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 8263910 GNGBNMVQEYLTEM-UHFFFAOYSA-N 422.591 3.176 0 40 HGAB C[C@@]1(c2cc(F)ccc2F)NC(=O)N(Cc2cc(Cl)c3c(c2)OCCO3)C1=O 8264547 DTTGNXAOKKYGDK-IBGZPJMESA-N 408.788 3.357 0 40 HGAB CCn1c(=O)c(C)nc2cc(C(=O)N3CCC[C@@H]3c3ccc4c(c3)OCCO4)ccc21 8366796 POSFHXXFOGAVHA-LJQANCHMSA-N 419.481 3.473 0 40 HGAB COc1ccc(NC(=O)CCCN(c2ccc(C)cc2)S(C)(=O)=O)cc1OC 8498022 LTAVSEYVNWXDIR-UHFFFAOYSA-N 406.504 3.197 0 40 HGAB CC(=O)Nc1ccc(CC(=O)NCC(=O)Nc2ccc(Br)cc2C)cc1 8726519 VOQMAYULFUONMU-UHFFFAOYSA-N 418.291 3.013 0 40 HGAB CC(C)[C@H](NC(=O)Cn1nnc(-c2cccs2)n1)c1ccc2c(c1)OCCCO2 8734375 QFBQDMPGFCETOE-IBGZPJMESA-N 413.503 3.076 0 40 HGAB Cc1nnc(NC(=O)CSc2nnc(NC(=O)/C=C/c3ccccc3)s2)s1 9366955 WGMIGWBLFOCIKL-BQYQJAHWSA-N 418.529 3.081 0 40 HGAB Cc1nc2cc(NC(=O)c3cccc(NC(=O)CSc4nncn4C)c3)ccc2o1 9709930 DGBMKBZNPKWAQW-UHFFFAOYSA-N 422.470 3.248 0 40 HGAB CCOc1ccc(C(=O)NCC(=O)N2CCc3[nH]c4ccccc4c3C2)cc1OCC 9900305 JTISNUKPBIWJHK-UHFFFAOYSA-N 421.497 3.280 0 40 HGAB CCCn1cc(C(=O)Cn2cnc3cc(C(=O)OC)ccc3c2=O)c2ccccc21 10009840 ZROCIQXNUVCDNN-UHFFFAOYSA-N 403.438 3.431 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)NCCCN1CCCCC1 10279634 OWSSCDGSYZERCD-UHFFFAOYSA-N 421.607 3.021 0 40 HGAB O=C(O[C@@H]1CCOC1=O)c1cc2ccccc2cc1NS(=O)(=O)c1cccs1 11255012 YCFIHXGDRPOIKF-MRXNPFEDSA-N 417.464 3.174 0 40 HGAB Cc1noc(C)c1CSc1ccccc1C(=O)OCC(=O)NC[C@H]1CCCO1 11522135 XMBHHAKXYFLESH-OAHLLOKOSA-N 404.488 3.036 0 40 HGAB CN(C)[C@@H](CNC(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O)Cc1ccccc1 11603681 VRYDKPWOVSCXOR-APWZRJJASA-N 417.962 3.432 0 40 HGAB Cn1cc(C(=O)CN2CCC(O)(Cn3cnc4ccccc43)CC2)c2ccccc21 12133884 VBUUGNLQBLAYFZ-UHFFFAOYSA-N 402.498 3.238 0 40 HGAB Cc1cnc(-c2nc(C3CCN(C(=O)[C@H](C)Oc4ccc(F)cc4)CC3)no2)cn1 12187528 WWBIOFOUEIQDAC-AWEZNQCLSA-N 411.437 3.148 0 40 HGAB COc1ccccc1CC(=O)N1CCC[C@H](c2nc3ccc(F)cc3cc2C(N)=O)C1 12255495 YQIYCSNDVJDTDT-INIZCTEOSA-N 421.472 3.430 0 40 HGAB CC(C)CN(C(=O)CN(Cc1ccco1)Cc1cccs1)[C@H]1CCS(=O)(=O)C1 12846467 YQXVXZMOSWBBAF-KRWDZBQOSA-N 424.588 3.015 0 40 HGAB CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)Cn1ccccc1=O 12914009 KVVGCMYGYFNFRR-UHFFFAOYSA-N 412.467 3.401 0 40 HGAB COc1ccccc1/C=C/C(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 13000711 MDVWZWDQYOHLLV-RMKNXTFCSA-N 408.454 3.314 0 40 HGAB Nc1c(C(=O)NCc2ccco2)sc2nc(N3CCOCC3)c3c(c12)CCCC3 13115828 UWWZTRMAZNVDLW-UHFFFAOYSA-N 412.515 3.117 0 40 HGAB Cc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)N(C)[C@H]2CCS(=O)(=O)C2)cc1 14235273 VAAAASAZRWBEHZ-FQEVSTJZSA-N 423.538 3.166 0 40 HGAB O=C1C[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)n2nc(-c3ccccc3)nc2N1 14607318 ZQXVEIRDHXOXTA-AWEZNQCLSA-N 401.348 3.486 0 40 HGAB C[C@@H]1C=CC[C@@H]2C(=O)N(c3cccc(C(=O)OCC(=O)c4ccccc4)c3)C(=O)[C@@H]21 17976324 RDPWKFNJRACZBB-MFMILTCTSA-N 403.434 3.428 0 40 HGAB CC[C@H](C)C(=O)N1CC[C@@H](c2nc(O)c3c(n2)CN(Cc2ccc(OC)cc2)CC3)C1 19499771 YHSFSNKPAFHTEL-FUHWJXTLSA-N 424.545 3.111 0 40 HGAB COc1ccc(C(=O)N2CCC[C@H]2c2ccc(C(=O)Nc3nccs3)cn2)cn1 19708763 SXBHUYDMDQKPME-INIZCTEOSA-N 409.471 3.171 0 40 HGAB O=C(COc1ccc(S(=O)(=O)NC2CCCCC2)cc1)NCc1ccc(F)cc1 20018797 BTYPXBYKBDIBSX-UHFFFAOYSA-N 420.506 3.132 0 40 HGAB COc1ccc(N([C@@H](C)C(=O)Nc2cc(Cl)ccc2OC)S(C)(=O)=O)cc1 20239250 KQEDKFLLHNOGFW-LBPRGKRZSA-N 412.895 3.150 0 40 HGAB O=C(Nc1ncccc1O)C1CCN(C(=O)c2ccc(Br)cc2)CC1 22264219 RCMUEUOPIACNFC-UHFFFAOYSA-N 404.264 3.041 0 40 HGAB COc1ccc(Br)cc1S(=O)(=O)NCCOc1ccc(Cl)cc1 22277006 HZYNKZWZDKZPQG-UHFFFAOYSA-N 420.712 3.468 0 40 HGAB CCOc1ccc(N(CC(=O)N[C@@H]2CCCc3ccccc32)S(C)(=O)=O)cc1 22333405 HRXWDIFHLKURQP-HXUWFJFHSA-N 402.516 3.045 0 40 HGAB COc1ccc(-c2noc(CN3CCN(CCOc4ccccc4F)CC3)n2)cc1 22825946 VJDFFHYLKDQMLW-UHFFFAOYSA-N 412.465 3.081 0 40 HGAB COc1cccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccccc3F)CC2)c1 24612938 ZIIZIZUPRGTYQD-UHFFFAOYSA-N 406.479 3.015 0 40 HGAB Cc1cnc(NC(=O)c2ccc(S(=O)(=O)NCCc3cccs3)cc2)s1 24679546 MXBPXQHMSBTHOH-UHFFFAOYSA-N 407.542 3.286 0 40 HGAB Cc1ccccc1CN1CCN(C(=O)C2CCN(C(=O)c3cccs3)CC2)CC1 25454342 PXDVRYDUCSMJMH-UHFFFAOYSA-N 411.571 3.253 0 40 HGAB Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N[C@H](C)c1ccc(CC(C)C)cc1 30020199 OQIWYFWAFMNOKT-HIFRSBDPSA-N 407.536 3.034 0 40 HGAB COc1ccc(-c2noc([C@@H]3C[C@H](NCc4ccc(NC(C)=O)cc4)CN3C)n2)cc1 30879589 FWHALCFVPBJLRZ-FPOVZHCZSA-N 421.501 3.239 0 40 HGAB biogenic,in-vitro O=C(CSCCO)Nc1sc2c(c1C(=O)NCc1ccccc1)CCCC2 32124698 MKVUIUAEDIGZLB-UHFFFAOYSA-N 404.557 3.221 0 40 HGAB O=C(CN1C(=O)COc2ccc(Cl)cc21)N(C[C@@H]1CCOC1)c1ccccc1 32827493 KSAXFFUVISQCDB-HNNXBMFYSA-N 400.862 3.135 0 40 HGAB O=C(c1cccc(S(=O)(=O)N2CCc3ccccc32)c1)N1CCCc2ncccc21 32882847 KNAYRNXYYDULRE-UHFFFAOYSA-N 419.506 3.426 0 40 HGAB COc1cccc(CNC(=O)Cn2cnc3c(-c4cccc(C)c4)nsc3c2=O)c1 33300178 YLEXGRAXLOTUJT-UHFFFAOYSA-N 420.494 3.153 0 40 HGAB COC(=O)CNC(=O)c1ccc(NC(=O)N(C)[C@H](C)c2ccc(Cl)cc2)cc1 40104130 DOSHWVUARLXIMV-CYBMUJFWSA-N 403.866 3.468 0 40 HGAB Cc1ccc(C)c(NC(=O)[C@@H]2CC(=O)Nc3nc(Nc4ccccc4)[nH]c(=O)c32)c1 40399239 NLFKERXZZYDOHQ-OAHLLOKOSA-N 403.442 3.195 0 40 HGAB C[C@@H](NC(=O)NCc1ccc(Cn2cncn2)cc1)c1ccc(NC(=O)C2CC2)cc1 45124448 DNXLQFADFGQGRX-MRXNPFEDSA-N 418.501 3.235 0 40 HGAB COCCn1cc(C(=O)NCCc2ccc(OCc3ccccc3)cc2)ccc1=O 48277150 HEVKAEONGIIDNH-UHFFFAOYSA-N 406.482 3.046 0 40 HGAB COc1cccc(CN(c2cccc(C)c2)S(=O)(=O)c2ccc3nncn3c2)c1 49408226 HJJAFLWFDWQELU-UHFFFAOYSA-N 408.483 3.442 0 40 HGAB CCN1CCN(S(=O)(=O)c2cc(Cl)c(Cl)cc2Br)CC1 54363504 GFZJISFOUXBSME-UHFFFAOYSA-N 402.141 3.082 0 40 HGAB O=C(C[S@@](=O)Cc1c(F)cccc1Cl)N1CCN(c2ccc(F)cc2)CC1 69581830 BGRLHCVSVZXNJG-HHHXNRCGSA-N 412.889 3.216 0 40 HGAB Cc1ccc([C@@H](C)C(=O)N2CCC3(CC2)C[C@@]2(CO3)NC(=O)c3ccccc3N2)cc1 72325259 XCRSDXIHWQAWLH-CJAUYULYSA-N 419.525 3.432 0 40 HGAB COc1ccc(CCC(=O)N2CCC[C@@H](c3ccnc(Nc4ncccn4)n3)C2)cc1 72377880 SVCZYANMDUTVJQ-GOSISDBHSA-N 418.501 3.358 0 40 HGAB Clc1cccc(Cl)c1Cc1noc(CCN2CCN(c3ncccn3)CC2)n1 72406256 LDYKUWRMVHVLBV-UHFFFAOYSA-N 419.316 3.122 0 40 HGAB CCC(=O)N1N=C(c2ccccc2NS(C)(=O)=O)C[C@H]1c1cccc(OC)c1 79112557 ZBJVPSUXLSVCPL-IBGZPJMESA-N 401.488 3.154 0 40 HGAB CC(C)(C)c1nc(-c2ccc(NC(=O)[C@H]3CS[C@@]4(C)CCC(=O)N34)cc2)no1 84674037 TYIZTQKQALKCIO-VLIAUNLRSA-N 400.504 3.427 0 40 HGAB O=C(COc1ccc(Cl)cc1Cl)N1CCCSC[C@@H]1CN1CCOCC1 90609075 MGTOETBDWVFOBZ-HNNXBMFYSA-N 419.374 3.039 0 40 HGAB CCOc1cccc([C@@H]2CC(c3ccccc3NS(C)(=O)=O)=NN2C(C)=O)c1 95945869 ZAKLJLQKJHAEMH-FQEVSTJZSA-N 401.488 3.154 0 40 HGAB COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N(C)CCC(=O)O)c(OC)c1 95970528 QDNYBTQESXLCJU-UHFFFAOYSA-N 409.442 3.103 0 40 HGAB COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C(=O)NC[C@H](C)C(=O)O)c1 95970581 MVSQOHRDYHKLAJ-AWEZNQCLSA-N 409.442 3.007 0 40 HGAB CC(=O)NCCN(C(=O)[C@@H](C)SCc1ccccc1)[C@@H](C)C(=O)OC(C)(C)C 96004661 CUQHOPUMWHUCOH-JKSUJKDBSA-N 408.564 3.003 0 40 HGAB CC(C)CN1CC2(CCN(C(=O)Nc3cccc(F)c3)CC2)[C@@]2(CCN(C)C2=O)C1 96144220 JHPVBYJHSZIGCO-QHCPKHFHSA-N 416.541 3.260 0 40 HGAB COc1ccc(-c2ncnc3c2c(C(=O)N2CC[C@H](N(C)C)C2)c2ccccn23)cc1 96146691 NUARHEZTOSVPNR-KRWDZBQOSA-N 415.497 3.334 0 40 HGAB O=S(=O)(c1ccc(F)c(Cl)c1)N1CCC(c2nnc(C(F)(F)F)o2)CC1 96340601 JELKPAOMSDPJAL-UHFFFAOYSA-N 413.780 3.449 0 40 HGAB COc1ccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@@H]5ON=C(c6ccc(C)cc6)[C@@H]54)[C@H]3C2=O)cc1 100204522 QUTVFXKBAUWMRT-WNOVBMAMSA-N 402.450 3.178 0 40 HGAB O=C(CCn1c(=S)[nH]c2ccccc2c1=O)/N=c1/ccccn1Cc1ccccc1 104892740 MOYWQSUDCYEPMO-QQTULTPQSA-N 416.506 3.426 0 40 HGAB Cc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4CC=CC[C@H]4C3=O)cc2)cc1 136285806 JGCLHGCIEQDQOH-BGYRXZFFSA-N 418.449 3.246 0 40 HGAB O=S(=O)(NCc1ccc([C@H](O)c2ccsc2)s1)c1ccc2c(c1)OCCO2 207967243 RAUISCMOQXGXIL-GOSISDBHSA-N 423.537 3.141 0 40 HGAB Cc1c(C(=O)Nc2cnn(C[C@H]3COc4ccccc4O3)c2)cnn1-c1ccccc1 207997533 SHVZEDBENXNXRV-IBGZPJMESA-N 415.453 3.470 0 40 HGAB CCOC(=O)C1(C(=O)OCC)[C@@H](S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1ccccc1 218046078 CWXSCVMIKQBMPY-OALUTQOASA-N 416.495 3.047 0 40 HGAB CCOC[C@]1(CN)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(Br)cc1 218217572 OTWBSRSMBMOJHH-FHWLQOOXSA-N 424.360 3.370 0 40 HGAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 219602452 IKCWPZRJCBGTQJ-IBGZPJMESA-N 422.934 3.031 0 40 HGAB CCc1ccccc1NC(=O)[C@@H](C)N(c1ccc(OC)c(OC)c1)S(C)(=O)=O 220225524 VXZJRMLZNNMGMF-CQSZACIVSA-N 406.504 3.059 0 40 HGAB COc1ccc(CCCNC(=O)c2ccc(C)c(N3CCCCS3(=O)=O)c2)cc1 222571667 QRRUVGOJRQOLAH-UHFFFAOYSA-N 416.543 3.296 0 40 HGAB C[C@@H](NC(=O)CN(c1ccc(F)cc1F)S(C)(=O)=O)c1ccc2c(c1)CCC2 223234127 LILGWPZXXNZGKC-CYBMUJFWSA-N 408.470 3.097 0 40 HGAB CC[C@@H](C(=O)NC)N(CCc1ccccc1)C(=O)CCCOc1ccc(OC)cc1 223488659 DSSQJWLLWKDKFM-QFIPXVFZSA-N 412.530 3.450 0 40 HGAB CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(C)n1-c1cccnc1 223646548 HGXCANBEJZDQQE-RTWAWAEBSA-N 421.526 3.111 0 40 HGAB Cc1ccc(OCCNC(=O)[C@@H](C)N(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1C 223892275 QDQZDXLRVKQMTQ-LJQANCHMSA-N 418.559 3.270 0 40 HGAB COc1ccccc1[C@@H](C)NC(=O)CCCN(c1ccccc1OC)S(C)(=O)=O 224598910 MHCMJWCGXSNWRM-MRXNPFEDSA-N 420.531 3.127 0 40 HGAB COc1cccc(C(=O)N2CCC3(CC2)CO[C@H]([C@@]2(C)CC[C@@H](C(C)(C)O)O2)C3)c1 257263822 LRPVJADCFZFXFG-SXWKCWPCSA-N 417.546 3.415 0 40 HGAB COc1cc(CC(=O)N2CC[C@H](Oc3cccc(Cl)c3)[C@@](C)(O)C2)ccc1O 257342881 ZQMIVBZBMKCWNU-FPOVZHCZSA-N 405.878 3.028 0 40 HGAB Cc1csc(CN2CCO[C@]3(CCCC[C@@H]3NC(=O)c3scnc3C)C2)n1 306126767 FETFAZODBLIRHB-HNAYVOBHSA-N 406.577 3.160 0 40 HGAB CN(C)CCn1ccc(-c2nc(C(=O)NCc3ccc(F)cc3)c3ccccn23)c1 306130322 JCLQEIYZMAGUFL-UHFFFAOYSA-N 405.477 3.434 0 40 HGAB Cc1ccsc1CN1C[C@@H]2Cc3nnc(C(=O)Nc4cccc(F)c4)n3C[C@H]2C1 306138940 SLDIFKOWBQPBHO-LSDHHAIUSA-N 411.506 3.344 0 40 HGAB COc1cc(/C=C2/NC(=O)NC2=O)c(Br)cc1OCc1ccc(F)cc1 408917229 PLXPUDIOZAACSZ-MKMNVTDBSA-N 421.222 3.356 0 40 HGAB Cc1noc(C)c1CN1C[C@@H]2Oc3cc(-c4cccnc4)ccc3C(=O)N(C)[C@@H]2C1 514290002 QVGFKVNDJLKYGX-IRLDBZIGSA-N 404.470 3.071 0 40 HGAB biogenic,in-vitro O=C1CC[C@]2(C(=O)NC[C@@H](c3ccccc3)c3c[nH]c4ccccc34)SCCN12 515008970 ZZELDPIFIBAFKD-FDDCHVKYSA-N 405.523 3.482 0 40 HGAB Cn1c(C(F)(F)F)nn(C2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)c1=O 575606946 PWVXNERDLHDTSS-UHFFFAOYSA-N 422.329 3.097 0 40 HGAB CC[C@@H](C)CN1C[C@H]2C(=O)NC3(CCN(C(=O)c4ccc(Cl)c(F)c4)CC3)[C@H]2C1 585106161 TVLXBFUWLKLXAQ-OIISXLGYSA-N 421.944 3.178 0 40 HGAB Cc1nc(Nc2nc(C)c(C)s2)cc([C@@H]2CCN(C(=O)/C=C/CN(C)C)C2)n1 585293289 ZCPYXTHANVMGQK-FYCOFBDGSA-N 400.552 3.036 0 40 HGAB COCCOc1ccccc1N1CCN(C(=O)[C@@H](C)OCCc2ccccc2)CC1 622434657 NCVSFNHKKFYGOF-HXUWFJFHSA-N 412.530 3.008 0 40 HGAB C=CC(=O)N1CCC(C(=O)N2C[C@H](c3cnn(C)c3)C(C)(C)C2)(c2ccccc2)CC1 1637593869 LYNGIVXDBOOTCG-OAQYLSRUSA-N 420.557 3.119 0 40 HGAB Cc1ccnc(N2CCC[C@@]3(CCCN(S(=O)(=O)c4sccc4C)C3)C2)n1 2056224542 URVYZBOUHZKHFX-LJQANCHMSA-N 406.577 3.226 0 40 HGAB COc1ccc(Br)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)Nc2ncnn21 959026 KSKXPAVKLWBQLD-OAHLLOKOSA-N 407.268 3.290 0 40 HGAB Cc1ccc(NC(=O)Cn2c(C)nc3c(cnn3-c3ccccc3)c2=O)cc1Cl 2632815 IXLHLSZOPXQONX-UHFFFAOYSA-N 407.861 3.491 0 40 HGAB CCCCn1nc(C(=O)Nc2sc3c(c2C(N)=O)CCCC3)c2ccccc2c1=O 2726375 FVFLCYPLIMVRFP-UHFFFAOYSA-N 424.526 3.488 0 40 HGAB CC(=O)c1cccc(NC(=O)COC(=O)[C@@H](NC(=O)c2cccc(C)c2)C(C)C)c1 3364249 VXLWHWZTLOHBRJ-NRFANRHFSA-N 410.470 3.134 0 40 HGAB Cc1nc2cc(C(=O)OCC(=O)N3C[C@H](C)O[C@@H](C)C3)ccc2n1-c1ccccc1 3475267 AAYQSLAFZPFUSM-HOTGVXAUSA-N 407.470 3.127 0 40 HGAB COCCCNC(=S)N(Cc1ccco1)Cc1cc2ccc(OC)cc2[nH]c1=O 4131383 KRVYMLHQOWMLJO-UHFFFAOYSA-N 415.515 3.043 0 40 HGAB Cc1ccccc1OCC(=O)N(Cc1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 4183007 PRIBSIHAIZRODB-SFHVURJKSA-N 407.919 3.243 0 40 HGAB COc1ccccc1N1C(=O)[C@@H]2C3c4ccccc4C(CO)(c4ccccc43)[C@@H]2C1=O 4832672 HDYVRKSBVJNQPV-VUUXHMSQSA-N 411.457 3.238 0 40 HGAB COc1cccc(C(=O)NC2CCN(CC(=O)Nc3c(C)cc(C)cc3C)CC2)c1 4908731 VVECHFBENNYFCM-UHFFFAOYSA-N 409.530 3.453 0 40 HGAB Cc1ccc(NC(=O)CSc2nnc(CNC(=O)c3cccs3)o2)c(C)c1 4969473 APRTWZCXUOMHGN-UHFFFAOYSA-N 402.501 3.409 0 40 HGAB CCc1ccccc1N1C[C@@H](C(=O)OCC(=O)Nc2cccc(Cl)c2)CC1=O 5037627 SRODRTYUJCETNM-HNNXBMFYSA-N 400.862 3.437 0 40 HGAB CC(=O)OCC(=O)[C@@]1(O)[C@H](C)C[C@@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 5528242 UREXXQAEJYMHKC-VYPILDKHSA-N 404.547 3.419 0 40 HGAB CCC(=O)N1N=C(c2ccc3nccnc3c2)C[C@H]1c1ccc(NS(C)(=O)=O)cc1 6088612 MATZQKLAQDYHEO-FQEVSTJZSA-N 423.498 3.089 0 40 HGAB CCC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)Nc2ccc(OC)cc2)cc1 6213710 YXGBLXKXMZXRMN-OAHLLOKOSA-N 406.504 3.180 0 40 HGAB CC(=O)Nc1ccc(NC(=O)[C@H](C)OC(=O)CCC(=O)c2ccc(F)cc2)cc1 6260057 HXTBEJVNAGGZOM-ZDUSSCGKSA-N 400.406 3.317 0 40 HGAB O=C(O)[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)N1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 6698462 KZRCQJRZZOWBOO-NONVJHHQSA-N 409.313 3.161 0 40 HGAB CCc1nnc(S/C(=C/c2cc([N+](=O)[O-])ccc2N2CCCCC2)C(=O)O)[nH]1 7342612 SJWNXCDKOSJVQI-RVDMUPIBSA-N 403.464 3.483 0 40 HGAB CC(C)[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)Nc1ccc(C(N)=O)cc1 8122329 PBMOYRIRCURSTP-INIZCTEOSA-N 408.285 3.485 0 40 HGAB NS(=O)(=O)c1cc(C(=O)OCc2ncc(-c3ccc(F)cc3)o2)ccc1Cl 8131850 XTQYZBAYVJWFIP-UHFFFAOYSA-N 410.810 3.139 0 40 HGAB COc1cccc(N(CC(=O)Nc2ccc(Cl)c(Cl)c2)S(C)(=O)=O)c1 8167601 VBTKMVDQTPNQNX-UHFFFAOYSA-N 403.287 3.407 0 40 HGAB O=C(Nc1cccc(Cl)c1)[C@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1 8313041 CCTYDJOLGJSSHE-ZDUSSCGKSA-N 403.891 3.140 0 40 HGAB CCOc1ccc(OCCCC(=O)OCC(=O)NCCc2ccc(F)cc2)cc1 9052244 XXJUOPLRVFFQMR-UHFFFAOYSA-N 403.450 3.286 0 40 HGAB Cc1ccccc1CN1CCC(C(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)CC1 9062928 IOKIIKNZWLADOE-UHFFFAOYSA-N 415.559 3.242 0 40 HGAB Cn1c(=O)c2c(nc3n(-c4ccc(F)cc4)c(-c4ccc(Cl)cc4)cn23)n(C)c1=O 9090151 QLWAONOWFLEEAQ-UHFFFAOYSA-N 423.835 3.135 0 40 HGAB Cc1c(C(=O)N2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)oc2ccccc12 9464913 UKSHJQPIABVBER-UHFFFAOYSA-N 420.437 3.166 0 40 HGAB Cn1nnnc1SCC(=O)Nc1ccc(C(=O)Nc2ccc3ccccc3c2)cc1 9497665 JJBJXDQGGOJNPX-UHFFFAOYSA-N 418.482 3.346 0 40 HGAB COC(=O)c1ccc2c(=O)[nH]c(COC(=O)c3c(-c4ccccc4)noc3C)nc2c1 9591805 GSTRGCQJBQKYJB-UHFFFAOYSA-N 419.393 3.030 0 40 HGAB O=C(COC(=O)/C=C/c1cccc(Br)c1)NC(=O)NCc1ccccc1 9632906 FGJCGYKCCFLXKS-MDZDMXLPSA-N 417.259 3.032 0 40 HGAB CN(C)S(=O)(=O)c1ccccc1CNC(=O)Cc1ccc(Cl)cc1Cl 9898410 YKFMYXMPOQTDOJ-UHFFFAOYSA-N 401.315 3.103 0 40 HGAB CC(=O)Nc1cccc(NC(=O)COc2ncnc3ccc(Br)cc23)c1 9980717 VICVABVEDUZXJZ-UHFFFAOYSA-N 415.247 3.368 0 40 HGAB Cc1cccc(CNC(=O)CN(c2ccc(Cl)cc2Cl)S(C)(=O)=O)c1 10448069 WNIUMLOFEKNNRD-UHFFFAOYSA-N 401.315 3.384 0 40 HGAB Cc1cc(SCC(=O)N2CCN(c3cnccn3)CC2)c(C)cc1Br 11545566 AIPUEUWDNSOICS-UHFFFAOYSA-N 421.364 3.297 0 40 HGAB Cc1ccc2c(c1)C(=O)C[C@@H](C1CCN(C(=O)c3cc(-c4cnn(C)c4)on3)CC1)O2 12154166 DSQHPQYWSHMGSS-NRFANRHFSA-N 420.469 3.270 0 40 HGAB C[C@@H]1C[C@@H](C)CN(C(=O)CN2C(=O)COc3ccc(C(=O)c4cccs4)cc32)C1 12239310 FJYULSXMAVBYIA-HUUCEWRRSA-N 412.511 3.209 0 40 HGAB Cc1cnc2c(S(=O)(=O)N(C)[C@H](C)c3ccc(S(C)(=O)=O)cc3)cccc2c1 12526620 UPRCJASGENKAOO-OAHLLOKOSA-N 418.540 3.328 0 40 HGAB COc1ccc([C@@H](CNC(=O)N[C@@H](C)c2ccccc2)N2CCOCC2)cc1OC 12981716 WLLXCEGJWMEBKX-FXAWDEMLSA-N 413.518 3.138 0 40 HGAB COC(=O)c1ccc(NC(=S)N(C)Cc2cc3cccc4c3n(c2=O)CC4)cc1 13722037 OBQGRTCUOFBRPU-UHFFFAOYSA-N 407.495 3.173 0 40 HGAB O=C(COc1ccc2nc3n(c(=O)c2c1)CCCCC3)NCc1ccccc1Cl 13735383 HBENIFFACAZKIS-UHFFFAOYSA-N 411.889 3.472 0 40 HGAB C[C@@H]1CCc2[nH]c3ccc(C(=O)OCC(=O)NC(=O)NCc4ccccc4)cc3c2C1 14020335 QFIBRLATDUHEDB-OAHLLOKOSA-N 419.481 3.476 0 40 HGAB CC(C)CC[C@]1(C)NC(=O)N(CC(=O)NCCc2ccc(Cl)cc2Cl)C1=O 14249674 AUHBFBAJNVJAEM-IBGZPJMESA-N 414.333 3.399 0 40 HGAB C[C@@H](OC(=O)c1ccc(OC[C@@H]2CCCO2)cc1)C(=O)NC(=O)Nc1ccccc1 14705825 XTKKIMUCIPIPON-BEFAXECRSA-N 412.442 3.138 0 40 HGAB C[C@@H](NC(=O)c1cccnc1Sc1ccccc1)c1ccc(S(N)(=O)=O)cc1 15934670 JXAVSXLYUWPLSH-CQSZACIVSA-N 413.524 3.371 0 40 HGAB CS(=O)(=O)N1CCN(c2ncnc3cc(-c4ccc(Cl)cc4)sc23)CC1 16738372 YMHUHRWIDXDALO-UHFFFAOYSA-N 408.936 3.093 0 40 HGAB Cc1nc2c(sc3ccccc32)c(=O)n1CC(=O)Nc1ccc2c(c1)OCCO2 16841905 CGGVOGORFFIYIU-UHFFFAOYSA-N 407.451 3.330 0 40 HGAB COc1ccc(-c2noc(CSc3nc4ccsc4c(=O)n3C)n2)cc1OC 16843310 IDFAWLKEINBRNQ-UHFFFAOYSA-N 416.484 3.355 0 40 HGAB CCOc1ccc(S(=O)(=O)NCC2(c3ccccc3OC)CCOCC2)cc1C 16973199 KVTREDTWMRCYLX-UHFFFAOYSA-N 419.543 3.429 0 40 HGAB COc1cc(Cn2c(=S)ss/c2=N\C(=S)N(C)C)cc(OC)c1OC 18114968 MWJKBPKYUGROES-PEZBUJJGSA-N 417.603 3.162 0 40 HGAB Cc1ccc(C(=O)N2CCCC[C@H]2c2nc(O)c3c(n2)CCN(C(=O)C2CC2)C3)cc1 19135434 VQQLBKVCPDTLLW-FQEVSTJZSA-N 420.513 3.153 0 40 HGAB Cc1ccc(O[C@@H](C)C(=O)N2CC[C@H](c3cc(=O)[nH]c(-c4ccncc4)n3)C2)cc1C 19214127 LDEHMACBURTFMO-HKUYNNGSSA-N 418.497 3.232 0 40 HGAB CCNC(=O)[C@@]1(Cc2ccccc2-c2ccsc2)CN(C(=O)C(C)C)CCO1 19529216 MLAGRGQUDQMMCF-JOCHJYFZSA-N 400.544 3.347 0 40 HGAB CCNC(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)CN(C(=O)CC(C)C)CCO1 19529242 LAUPWTNPQNLPEK-XMMPIXPASA-N 409.530 3.071 0 40 HGAB Cc1noc(C)c1C(=O)N[C@@H](Cc1cc(=O)[nH]c(-c2cccnc2)n1)c1ccccc1 19580209 VJYBGAILYZCZSO-IBGZPJMESA-N 415.453 3.151 0 40 HGAB Cc1cn(C)c2ccc(C(=O)N3CCc4nc(N5CCC[C@H](C)C5)[nH]c(=O)c4C3)cc12 19663047 XIYRUCOPLAIFET-HNNXBMFYSA-N 419.529 3.005 0 40 HGAB CCN(CC(=O)N(C)Cc1ccccc1)S(=O)(=O)c1ccc(OC)c(Cl)c1 19930243 UMOPTCKDBZASPG-UHFFFAOYSA-N 410.923 3.018 0 40 HGAB COC(=O)Cc1c(C)c2cc(Cl)c3c(c2oc1=O)CN(Cc1ccncc1)CO3 20590513 VDUXTDAKYMDMBB-UHFFFAOYSA-N 414.845 3.217 0 40 HGAB COc1ccccc1[C@@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 21598502 HQGKLFKXVMSKOV-CABCVRRESA-N 408.545 3.035 0 40 HGAB COC(=O)C1CCN([C@@H](c2cccc(C)c2)c2sc3nc(C)nn3c2O)CC1 22626313 VKPOWOAGBOMZKK-INIZCTEOSA-N 400.504 3.088 0 40 HGAB OCCN1CCN(c2ncnc3c2c(-c2ccccc2)cn3-c2ccc(F)cc2)CC1 22956650 KCPKEPGTFHAUIB-UHFFFAOYSA-N 417.488 3.341 0 40 HGAB O=C(CSc1nnc(C2CC2)n1C1CC1)Nc1ccc(CN2CCOCC2)cc1 23763464 WJJMQHKBTZGIRJ-UHFFFAOYSA-N 413.547 3.053 0 40 HGAB COc1ccc([C@@H](NC(=O)CN2CCN(c3ccccn3)CC2)c2ccccc2)cc1 23873284 JPYWZDCCVAYEHZ-VWLOTQADSA-N 416.525 3.118 0 40 HGAB COc1ccc([C@H]2CCCN2CC(=O)N2CCN(Cc3ccccc3)CC2)c(OC)c1 24241691 NBOKOZFDVXBYLH-HSZRJFAPSA-N 423.557 3.185 0 40 HGAB Cc1ccc(CSCCNC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)cc1 24571174 ZTKDHQOAWFWORU-QGZVFWFLSA-N 412.511 3.126 0 40 HGAB CN(Cc1ccc(Cl)cc1)C(=O)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 24666198 YLFDXFQUPPBMSY-OAHLLOKOSA-N 412.964 3.461 0 40 HGAB CCn1c(SCC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)nnc1-c1ccco1 24762584 OGIXFFLAHYLXLM-QGZVFWFLSA-N 411.531 3.041 0 40 HGAB CS(=O)(=O)Nc1cccc(CNC(=O)/C=C/c2ccccc2OC(F)(F)F)c1 25240600 UHUKDPIVOPEOEF-MDZDMXLPSA-N 414.405 3.286 0 40 HGAB COc1ccc(CCC(=O)NCc2nnc3ccc(C(F)(F)F)cn23)cc1OC 26877744 DOCHKEVXBAVMLL-UHFFFAOYSA-N 408.380 3.014 0 40 HGAB Cc1nn(-c2ncnc3[nH]cnc23)c2c1[C@@H](c1ccccc1C(F)(F)F)CC(=O)N2 31808060 LTYIMAYNKCSBRC-LLVKDONJSA-N 413.363 3.340 0 40 HGAB Cc1cccc2c(=O)n(CCC(=O)Nc3cccc(OC[C@H]4CCCO4)c3)cnc12 32776664 CLRVYFFWQNJGDU-LJQANCHMSA-N 407.470 3.292 0 40 HGAB COc1cccc(-c2nc(CC(=O)N[C@@H](C(=O)O)c3ccccc3)cs2)c1OC 36359955 AXDIFXOMWQOYFR-GOSISDBHSA-N 412.467 3.312 0 40 HGAB O=C(NCc1cc(-c2ccc3c(c2)OCCO3)on1)c1ccc(Br)o1 36662259 UZNORPBGXJGKAL-UHFFFAOYSA-N 405.204 3.398 0 40 HGAB Cc1ccc2ncc(C(=O)NCc3ccc(CN4CCC[C@@H](C)C4)cc3)c(=O)n2c1 40108832 NIXQNUAGQAAUDL-QGZVFWFLSA-N 404.514 3.165 0 40 HGAB Cc1nn(-c2ccccc2)c(C)c1CNC(=O)c1ccc(N2CCN(C)CC2)c(F)c1 40152592 LRZKYPJCVNTNPX-UHFFFAOYSA-N 421.520 3.310 0 40 HGAB CCSc1nnc(NC(=O)CCCn2nc(-c3cccs3)ccc2=O)s1 49342690 DDQRBAFQSSWIHY-UHFFFAOYSA-N 407.546 3.354 0 40 HGAB Cc1cc2nn(CC(=O)Nc3ccccc3F)c(=O)n2c(Nc2ccc(C)c(F)c2)n1 49410747 BTNGDGGRHGQFGP-UHFFFAOYSA-N 424.411 3.168 0 40 HGAB COc1ccc(CC(=O)O)cc1S(=O)(=O)Nc1ccc(C)cc1Br 54294828 LTBDKSDDJJJOBL-UHFFFAOYSA-N 414.277 3.194 0 40 HGAB O=C(Nc1ccccc1)NC1CCN(CCCS(=O)(=O)c2ccccc2)CC1 55052221 HJFQYDQAYYDBGR-UHFFFAOYSA-N 401.532 3.137 0 40 HGAB Cc1ccc(CNC(=O)c2cn(-c3ccc(-c4nc(C5CC5)no4)cn3)cn2)cc1 71768262 FSTZJPUKODTYIC-UHFFFAOYSA-N 400.442 3.433 0 40 HGAB O=C(C1CCOCC1)N1CCCCC[C@@H]1C1CCN(Cc2nnc(C3CC3)o2)CC1 71890551 ULODFWFBGGOSAY-HXUWFJFHSA-N 416.566 3.357 0 40 HGAB CCc1nnc(Nc2cc([C@@H]3CCCN3C(=O)C3CCOCC3)nc(C)n2)s1 72360405 FVQLJVDHQBMDRF-HNNXBMFYSA-N 402.524 3.033 0 40 HGAB CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[C@H](c2ccnc3nccn23)C1)c1ccccc1 72360649 GULOGFYHBWXRTA-HKUYNNGSSA-N 421.501 3.311 0 40 HGAB Cc1nc(C)n(CC(=O)NC2CCN(CC3(c4cccc(F)c4)CCCC3)CC2)n1 72393474 HSAJVEYFRBFEFY-UHFFFAOYSA-N 413.541 3.127 0 40 HGAB COC(=O)CCNC(=O)[C@H]1c2ccccc2C(=O)N(CC(C)C)C12CCCCC2 79488852 CELWDEFWRZHHTD-HXUWFJFHSA-N 400.519 3.264 0 40 HGAB O=C(Cn1nc(C(F)(F)F)c2cnccc21)Nc1cccc(N2CCCC2=O)c1 89779472 HIVQYZDDJKQGGV-UHFFFAOYSA-N 403.364 3.216 0 40 HGAB COC(=O)C1CCN(CCCNC(=O)[C@@H](C)c2ccc(Br)s2)CC1 95403452 GVZFGRRKMBNIFS-LBPRGKRZSA-N 417.369 3.005 0 40 HGAB CCN(CC)CCn1c(NC(=O)c2cccc(-n3ccnc3)n2)nc2ccccc21 95465126 LOKWOWOUZCANFN-UHFFFAOYSA-N 403.490 3.211 0 40 HGAB O=C(/C=C/c1cc(Cl)c2c(c1)OCO2)NS(=O)(=O)c1ccc(Cl)s1 95949571 ALOMCEWNZCBESC-HNQUOIGGSA-N 406.268 3.302 0 40 HGAB Cc1ccccc1Oc1ccc(S(=O)(=O)N2CCC(N3CC[C@H](O)C3)CC2)cc1 96099730 VZHLSWBFNZQAMU-IBGZPJMESA-N 416.543 3.007 0 40 HGAB COC(=O)[C@@H]1[C@@H](c2ccc(C(C)(C)C)cc2)c2sc(=O)[nH]c2S[C@H]1C(=O)OC 96318925 UNDKRHARFAFRAV-UMVBOHGHSA-N 421.540 3.302 0 40 HGAB COc1cc(/C=c2/s/c(=C/C(=O)C(C)(C)C)[nH]c2=O)ccc1OCCC(C)C 105740408 SDTJEHPFAAWOSI-HWFDSFFDSA-N 403.544 3.094 0 40 HGAB COc1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)CCCc3ccccc3)C2)c1 216254508 XRFWIYPECHBZEZ-LJQANCHMSA-N 416.543 3.308 0 40 HGAB CC(C)c1ccc(CCCNC(=O)[C@@H]2CN(S(C)(=O)=O)c3ccccc3O2)cc1 219271518 RTJVGVAOZGZMIJ-NRFANRHFSA-N 416.543 3.086 0 40 HGAB COc1ccc(N([C@@H](C)C(=O)Nc2ccc(C)c(C)c2)S(C)(=O)=O)cc1OC 220225370 RYQKIYBNESGGFQ-HNNXBMFYSA-N 406.504 3.114 0 40 HGAB CCCc1nnc(NC(=O)[C@@H]2CCC(=O)N2Cc2ccc(OC(F)F)cc2)s1 223415062 UXESTDOLXKZKLK-ZDUSSCGKSA-N 410.446 3.222 0 40 HGAB COc1cccc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)c1 223755519 GVLISTKAPXFLHO-UHFFFAOYSA-N 418.496 3.297 0 40 HGAB CC[C@H](NC(=O)[C@@H](C)Oc1ccc(N(C)S(C)(=O)=O)cc1)c1ccccc1C 225534144 ZACAQTMKKDTCSU-UZLBHIALSA-N 404.532 3.426 0 40 HGAB COc1cc(C)c(S(=O)(=O)NCc2nc(-c3ccc(Cl)cc3)no2)cc1C 225816383 ZHLMBTPBUWDAGQ-UHFFFAOYSA-N 407.879 3.494 0 40 HGAB O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@@H]34)[C@H]2C(=O)N1CN(C(=O)C(F)(F)F)c1ccc(Cl)cc1 226400745 BMFUNSUHUHFQAF-FWXGHANASA-N 424.806 3.246 0 40 HGAB CC(=O)c1ccc(S(=O)(=O)N2C[C@@H]3CCC[C@@](O)(c4ccc(F)cc4)[C@H]3C2)cc1 253385939 UZYZCQFWDQHAPT-BULFRSBZSA-N 417.502 3.337 0 40 HGAB NC(=O)[C@]1(c2ccccn2)CCCN(Cc2cccc(OCc3ccccn3)c2)C1 257210644 BVOVFBSNFWDQJB-XMMPIXPASA-N 402.498 3.075 0 40 HGAB CC(C)c1n[nH]c(CC(=O)N2CCO[C@H](c3cccc(Cc4ccccc4)n3)C2)n1 257295289 QXSFLNCLCNHUNX-FQEVSTJZSA-N 405.502 3.057 0 40 HGAB COc1ccccc1Cc1cnc([C@@H]2CCCN(C(=O)Cn3nc(C)cc3C)C2)o1 257334524 YGICVNZLMOHIAB-LJQANCHMSA-N 408.502 3.494 0 40 HGAB COc1ccc(-c2nnc3n2C2(CCN(Cc4ccc(C)o4)CC2)CN(C)C3)cc1 306135071 OHAATVLFHBGIPM-UHFFFAOYSA-N 407.518 3.292 0 40 HGAB Cn1c(C(=O)NC[C@H]2CC3(CCN(CCC(F)(F)F)CC3)O2)cc2ccccc21 306138719 SFPJHMTVCUODIP-MRXNPFEDSA-N 409.452 3.484 0 40 HGAB CCc1cccc(CC)c1NC(=O)[C@@H](C)NS(=O)(=O)c1cc(C)ccc1OC 408550441 CAMRGIBCCZRPLJ-OAHLLOKOSA-N 404.532 3.434 0 40 HGAB Cc1ccc(S(=O)(=O)N(CC(=O)NCCCOC(C)C)c2ccccc2)cc1 409265814 PKYJNHJASPZSGC-UHFFFAOYSA-N 404.532 3.122 0 40 HGAB Cc1ccc(C(=O)NCc2nnc(SCC(=O)Nc3ccc(C)c(C)c3)n2C)cc1 409339321 UAQALMBTDTYZAL-UHFFFAOYSA-N 423.542 3.401 0 40 HGAB COc1ccc(S(=O)(=O)NC[C@@H]2CCN(c3ccccc3OC)C2)c(Cl)c1 583255786 ZXHWHYPKNRADOY-AWEZNQCLSA-N 410.923 3.162 0 40 HGAB CC(C)c1ccc2c(c1)[C@]1(CCO2)C[C@H]1C(=O)N1CCC(N(C)CCCO)CC1 583622985 FNBKPUJXXDWZPN-URXFXBBRSA-N 400.563 3.155 0 40 HGAB CC(C)CCN1c2cccnc2-n2cccc2[C@]12CCN(C(=O)[C@@H]1[C@H]3COC[C@H]31)C2 585107039 OWASRPSITHHIDY-CVOKININSA-N 406.530 3.058 0 40 HGAB CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1csc(Cc2ccc(Cl)cc2)n1 1522599370 SXWQMVPFJKZVEI-KRWDZBQOSA-N 413.930 3.474 0 40 HGAB Cc1nc(-c2ccc(S(=O)(=O)N3CCc4nc5ncccc5cc4C3)cc2)co1 1891726934 GMLNZDBDEFHBCZ-UHFFFAOYSA-N 406.467 3.340 0 40 HGAB CC(=O)N1CCN(Cc2ccc(OC(C)C)cc2)C[C@@H](Cc2cn3ccnc3cn2)C1 2037838281 AMZMXGHBDXSEKV-OAQYLSRUSA-N 421.545 3.040 0 40 HGAB C[C@@H]1CCC[C@@H](C)N1S(=O)(=O)c1ccc(S(=O)(=O)NCc2ccccc2)cc1 1368327 HVISMKKYMZVUSQ-IAGOWNOFSA-N 422.572 3.117 0 40 HGAB Cn1c(=O)[nH]c(=O)c2c1nc(SCCCc1ccccc1)n2Cc1ccccc1 2058004 SKWZFSXSICRTRO-UHFFFAOYSA-N 406.511 3.197 0 40 HGAB COCCCn1c(N)c(C(=O)NCc2ccccc2OC)c2nc3ccccc3nc21 2252346 BNGAFJJMRSHOJP-UHFFFAOYSA-N 419.485 3.142 0 40 HGAB COc1ccc(S(=O)(=O)N2CN(Cc3ccco3)c3nc4ccccc4nc32)cc1 2401787 SAZDSSXYJMGVCH-UHFFFAOYSA-N 422.466 3.404 0 40 HGAB Cc1cc(C(=O)CSc2nnnn2-c2ccc(O)cc2)c(C)n1Cc1ccco1 2622512 RLRMXHPBAHKRKT-UHFFFAOYSA-N 409.471 3.403 0 40 HGAB O=C(Nc1cccc2ncccc12)C1CCN(S(=O)(=O)c2cccs2)CC1 3366208 WSUHRWZFRAMYNG-UHFFFAOYSA-N 401.513 3.336 0 40 HGAB COc1ccc(CC(=O)Nc2c3c(nn2-c2cccc(C)c2C)C[S@@](=O)C3)cc1 4105999 NSYNHLYYWBQJMB-GDLZYMKVSA-N 409.511 3.441 0 40 HGAB CC1(C)O[C@@H]2O[C@@H](C(=O)Nc3cccc(C(F)(F)F)c3)[C@@H]3OC(C)(C)O[C@H]3[C@H]2O1 4303681 JPMRKXGFGGGORQ-PAURTPPISA-N 417.380 3.040 0 40 HGAB C[C@H]1CN(C(=O)CSc2nc(N)c3c4c(sc3n2)C[C@H](C)CC4)C[C@@H](C)O1 5658815 WPLATDHKNTZVAH-UTUOFQBUSA-N 406.577 3.126 0 40 HGAB COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CCC(C)CC3)cc2)cc1 6706675 VACPZWFUGFXAIE-UHFFFAOYSA-N 418.515 3.133 0 40 HGAB CCOCCCNCc1ccc(OCc2nnnn2-c2ccc(C)cc2)c(OC)c1 7540377 FKWPUDDWBCSWBJ-UHFFFAOYSA-N 411.506 3.075 0 40 HGAB COc1ccc(Cl)cc1N1C[C@@H](C(=O)Nc2ccc3c(c2)OCCO3)CC1=O 7598939 QVZDDELUIQVWON-LBPRGKRZSA-N 402.834 3.111 0 40 HGAB O=C(COC(=O)[C@@H]1CC(=O)N(C2CCCCC2)C1)Nc1cccc(C(F)(F)F)c1 7940230 JGOGGYODKFJEJV-CYBMUJFWSA-N 412.408 3.368 0 40 HGAB C[C@@H]1Oc2ccc(NC(=O)c3ccc(Cn4nnc5ccccc54)cc3)cc2NC1=O 8017135 HMAIDETZHUZXFT-AWEZNQCLSA-N 413.437 3.451 0 40 HGAB CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)CN1C(=O)NC2(CCCC2)C1=O 8156396 SUDAIPIWCZPLBA-UHFFFAOYSA-N 415.877 3.423 0 40 HGAB Cc1nc2ncnn2c(C)c1CCC(=O)N[C@@H](C)c1ccccc1Br 8305835 RUUCHBRWADVFDW-LBPRGKRZSA-N 402.296 3.314 0 40 HGAB Cc1ccccc1-n1nnnc1SCC(=O)N1CCS[C@@H]1c1ccccc1F 8323908 PXFXROBOPVALQU-GOSISDBHSA-N 415.519 3.476 0 40 HGAB CC[C@@H](C)N1C(=O)[C@]2(Cc3c(Cl)cccc3N3CCCC[C@@H]32)C(=O)NC1=S 8738505 STQPTDBQPUDKPZ-RRBXVBTKSA-N 405.951 3.283 0 40 HGAB O=C1CCCN1c1ccc(S(=O)(=O)NCC2(N3CCCCC3)CCCCC2)cc1 8745724 VRRGMVLEQVXQEW-UHFFFAOYSA-N 419.591 3.281 0 40 HGAB O=C(COc1ccc(Nc2ccccc2)cc1)OCC(=O)c1ccc2[nH]c(=O)[nH]c2c1 8761387 GGDDKEFLWCXAKF-UHFFFAOYSA-N 417.421 3.405 0 40 HGAB CCOCCC(=O)Nc1nnc([C@@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C2)s1 9224853 XBCMYGBSFXBTFX-GFCCVEGCSA-N 408.911 3.386 0 40 HGAB O=C(Nc1ccc(Cl)cc1)c1ccc(NC2=N[C@@H]3CS(=O)(=O)C[C@@H]3S2)cc1 9530094 QQDCEDMJQVGZDB-CVEARBPZSA-N 421.931 3.273 0 40 HGAB Cc1cccn2cc(COc3cccc(C(=O)N[C@H](C(N)=O)c4ccccc4)c3)nc12 10895263 LNEAABRSCBJODX-NRFANRHFSA-N 414.465 3.178 0 40 HGAB O=C(Cn1c(=O)n(Cc2cccs2)c2ncccc21)N1CCC[C@@H]2CCCC[C@H]21 12117478 FITIENUUXLKEAT-FUHWJXTLSA-N 410.543 3.489 0 40 HGAB O=C(NC1CCCCC1)[C@@H]1C=CCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1 12146325 BVMYGDZBNVIDGZ-INIZCTEOSA-N 402.438 3.083 0 40 HGAB O=C(Nc1ccc(S(=O)(=O)NC2CC2)cc1)C1=Cc2cc(Cl)ccc2OC1 12165722 IISTXMWGQHOAAZ-UHFFFAOYSA-N 404.875 3.195 0 40 HGAB O=C([C@@H]1CCCN(c2nc(-c3ccsc3)nc3ccccc23)C1)N1CCOCC1 12740854 SWFALEYJLKUFAK-MRXNPFEDSA-N 408.527 3.434 0 40 HGAB Cc1cccc(C(=O)OCCN2C(=O)c3ccccc3C2=O)c1NC(=O)c1ccco1 12837878 MMIJEUHIPDDLDX-UHFFFAOYSA-N 418.405 3.293 0 40 HGAB C[C@@H]1CCC[C@H](N2C[C@@H](C(=O)NCc3ccc(Cn4cccn4)cc3)CC2=O)[C@@H]1C 14070497 LBZCQCOUJVPURL-UBBRYJJRSA-N 408.546 3.221 0 40 HGAB O=C1N[C@@]2(CCCc3sccc32)C(=O)N1C[C@H](O)COCc1ccccc1Cl 14188238 YOXJLNBKATXQDU-VBKZILBWSA-N 420.918 3.063 0 40 HGAB CCS(=O)(=O)N(CC(=O)Nc1ccc2ccccc2c1)c1ccc2c(c1)OCO2 14396694 BAANOHBQIQQCRQ-UHFFFAOYSA-N 412.467 3.363 0 40 HGAB Ic1ccc(-n2nnnc2-c2cn[nH]c2-c2ccccc2)cc1 16491893 NIGDZCFSMBYAHO-UHFFFAOYSA-N 414.210 3.324 0 40 HGAB O=C([C@@H]1CCCO1)N1CCc2nc(N3CCCC3)nc(Nc3cccc(F)c3)c2C1 19293963 OUFJOKVIDXJIAA-IBGZPJMESA-N 411.481 3.023 0 40 HGAB Fc1ccccc1N1CCN([C@H](c2ccncc2)c2nnnn2C2CCCC2)CC1 19349888 YKVPPEAEMXDOPZ-OAQYLSRUSA-N 407.497 3.234 0 40 HGAB CC(C)N1CCC(NC(=O)c2cc(-c3ccccn3)c(N3CCOCC3)s2)CC1 19447848 UEFQTADQQHXHFE-UHFFFAOYSA-N 414.575 3.249 0 40 HGAB CCOC(=O)[C@]1(C)N[C@@H](c2ccccc2C)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]21 19529697 KIGAHMOFTZZRJP-CMCWBKRRSA-N 406.482 3.075 0 40 HGAB COc1ccc([C@H]2CCCN2C(=O)CCc2nc(-c3cccnc3)no2)cc1OC 19560258 JTOONYBPWMGYEG-QGZVFWFLSA-N 408.458 3.445 0 40 HGAB CNC(=O)[C@@]1(Cc2cccc(-c3cccnc3)c2)CCCN(C(=O)c2cccnc2)C1 19591230 CDJIXZPZXUDEHP-RUZDIDTESA-N 414.509 3.355 0 40 HGAB COCc1ccc(OC)c(CN2CCC(c3cc(O)nc(-c4cnccn4)n3)CC2)c1 19594335 AXNBWOVSYPLYFV-UHFFFAOYSA-N 421.501 3.174 0 40 HGAB Cc1cccn2cc(C(=O)N3CCc4cc(S(=O)(=O)N5CCCCC5)ccc43)nc12 19718737 LUCBXSPVSZGPKJ-UHFFFAOYSA-N 424.526 3.020 0 40 HGAB O=C(C[C@H]1C(=O)N(Cc2ccco2)c2nc3ccccc3n21)NCc1ccccc1 19817636 GPZVXOKHNTZEOS-FQEVSTJZSA-N 400.438 3.424 0 40 HGAB CCOC(=O)[C@@H]1C(=O)N(CCCOC)c2nc3ccccc3n2[C@H]1c1ccccc1 19818315 SGKATOWAFCBFRZ-PMACEKPBSA-N 407.470 3.188 0 40 HGAB COc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)c2cccnc2)CCC3)cc1 19819211 FXMQOIKYCVYVGP-UHFFFAOYSA-N 423.494 3.484 0 40 HGAB COc1cccc(-c2nc3c(c(SCCN4CCOCC4)n2)COC(C)(C)C3)c1 20546728 SLCDLCCRXKFYTJ-UHFFFAOYSA-N 415.559 3.428 0 40 HGAB C[C@@H](Sc1nnc2[nH]c3ccccc3n12)C(=O)N1CCN(Cc2ccccc2)CC1 20980960 LZHKKHJTPWRNHK-MRXNPFEDSA-N 420.542 3.036 0 40 HGAB Cc1cccc(OCCNC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)c1 21785498 ZNUCCSHCTDYKJQ-UHFFFAOYSA-N 411.527 3.300 0 40 HGAB O=C(CN1CCN(Cc2ccc3c(c2)CCO3)CC1)Nc1ccc(Cl)cc1F 22805347 CMGYRFGQBOQLAK-UHFFFAOYSA-N 403.885 3.170 0 40 HGAB Cc1cccc(NC(=O)CSCC(=O)N2CCN(Cc3ccccc3F)CC2)c1 23440981 UYKWGIQKOFTGOT-UHFFFAOYSA-N 415.534 3.150 0 40 HGAB CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(C)c(F)c3)CC2)cc1 24005517 KDJBHSIHKHQOHD-UHFFFAOYSA-N 418.490 3.376 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCN(Cc3ccc(Br)s3)CC2)cc1 24498211 YEGKAGYTMKHCNA-UHFFFAOYSA-N 415.378 3.326 0 40 HGAB Cc1ccc2c(c1)C(=O)N(CCC(=O)OCc1nc3ccccc3n1C(F)F)C2=O 25619484 OVSBVNZNBCVBKP-UHFFFAOYSA-N 413.380 3.469 0 40 HGAB C[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)c1cccs1 26246671 ARLQNWMFADXOMI-ZDUSSCGKSA-N 413.952 3.179 0 40 HGAB CCNc1ccc(C(=O)OCC)cc1NS(=O)(=O)c1ccc(C)c(C(=O)O)c1 26540562 UWFDFPMXFUNTFS-UHFFFAOYSA-N 406.460 3.103 0 40 HGAB O=C(NC1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1)c1ccc(F)cc1 28052566 YNHUOLIBVDIDSO-UHFFFAOYSA-N 416.518 3.288 0 40 HGAB Cc1nnc(NS(=O)(=O)c2cc(Br)ccc2Br)s1 28248399 ZEWQVSVDWLFIKB-UHFFFAOYSA-N 413.116 3.172 0 40 HGAB Cn1ccc(C(=O)N2CCN(Cc3ccc(-c4cccc(F)c4)s3)CC2)cc1=O 30181077 AMUYQSZQBMNBMW-UHFFFAOYSA-N 411.502 3.211 0 40 HGAB COc1ccccc1-n1cnc2cc(C(=O)NCCc3ccc(O)cc3)ccc2c1=O 32124242 CRINLFBNIMAJQF-UHFFFAOYSA-N 415.449 3.072 0 40 HGAB biogenic O=C(NC[C@@H](c1ccccc1Cl)N1CCOCC1)c1cc(Br)c[nH]1 32375695 GONAAWWJTWPASX-INIZCTEOSA-N 412.715 3.234 0 40 HGAB CCCCN(CCCC)S(=O)(=O)c1cc2c(cc1Br)NC(=O)CO2 32825821 HYCLVCMQSYTHQP-UHFFFAOYSA-N 419.341 3.371 0 40 HGAB CNC(=S)N1CCc2cc(OC)c(OC)cc2[C@H]1c1cc2ccc(C)cc2[nH]c1=O 35313551 USPUCFJTUPLXMB-NRFANRHFSA-N 423.538 3.306 0 40 HGAB CCN1C(=O)/C(=C/c2cn(CC(=O)NCc3cccs3)c3ccccc23)NC1=S 39556457 WYDNMQSITZPLRH-YVLHZVERSA-N 424.551 3.097 0 40 HGAB O=C(NCCCN1CCCCC1)c1ccccc1NS(=O)(=O)c1cccs1 39994015 DXQSXPQQKHAVFK-UHFFFAOYSA-N 407.561 3.155 0 40 HGAB O=C(Nc1ccc2c(c1)OCO2)[C@@H]1CC(=O)N(c2ccccc2Br)C1 40068793 PJSPUZJCGMJJOS-LLVKDONJSA-N 403.232 3.169 0 40 HGAB NC(=O)N[C@H](CC(=O)NCCc1ccc(F)cc1)c1ccc(Br)cc1 40069175 VUMPSHRUCAPSLK-MRXNPFEDSA-N 408.271 3.047 0 40 HGAB CN(C(=O)CN1C(=O)N[C@@](C)(c2ccccc2C(F)(F)F)C1=O)c1ccccc1 40116699 GNLWPJFZBIHFAJ-IBGZPJMESA-N 405.376 3.135 0 40 HGAB Cc1ccc([C@H](CNC(=O)c2ccc(-c3nc(C)no3)cc2)N2CCOCC2)cc1 40156872 MGGFDAASJXBDNH-NRFANRHFSA-N 406.486 3.157 0 40 HGAB CCc1ccccc1NC(=O)Cn1nc2cc(C)nc(Nc3ccc(F)cc3)n2c1=O 49410641 GIFUPKSXBHXXGB-UHFFFAOYSA-N 420.448 3.283 0 40 HGAB COc1ccc(CN(C)C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)cc1 52955753 XYCNQDZBHTWCQJ-IBGZPJMESA-N 416.543 3.063 0 40 HGAB CCCOC(=O)c1nnc2sc(-c3ccc(I)cc3)nn12 57339049 UIHGQVMWJFVLGC-UHFFFAOYSA-N 414.228 3.024 0 40 HGAB CCN(CC)C(=O)CSc1nc2ccsc2c(=O)n1-c1ccccc1OC 57487594 QOTMQXQYJMEDHV-UHFFFAOYSA-N 403.529 3.416 0 40 HGAB CC(=O)N1CCCc2cc([C@H](O)CN3CCN(c4ccc(C)cc4C)CC3)ccc21 57811741 ZATSJGSPNMQGDT-RUZDIDTESA-N 407.558 3.458 0 40 HGAB CCCN(CCC)S(=O)(=O)N1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 58162472 WLFCZGJYTPASNE-MRXNPFEDSA-N 410.515 3.422 0 40 HGAB CCOc1ccc(NC(=O)c2cnc(N3CCC(N4CCCCC4)CC3)nc2N)cc1 67336488 YKQYUUVMBOYQKE-UHFFFAOYSA-N 424.549 3.165 0 40 HGAB O=C(NC1(C(=O)Nc2ccc(Br)cc2)CCCCC1)c1cnccn1 84405284 BFANXDZMOAMESL-UHFFFAOYSA-N 403.280 3.311 0 40 HGAB CC(C)n1nc(C(=O)NCc2cc(Cl)c3c(c2)OCCO3)c2ccccc2c1=O 97259918 SULVQTJMAVDKRF-UHFFFAOYSA-N 413.861 3.332 0 40 HGAB CCOC(=O)c1c(O)c2cc(Br)cnc2n(Cc2ccccc2)c1=O 100128861 UOVURXKDFKMEGR-UHFFFAOYSA-N 403.232 3.090 0 40 HGAB O=C(COC(=O)c1ccc(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)cc1)c1ccccc1 100743417 CPXQAYGTKQBKRT-USNOLKROSA-N 403.434 3.262 0 40 HGAB Cc1nc(-c2ccc(CNC(=O)CCN3C(=O)[C@H]4CC=CC[C@@H]4C3=O)s2)cs1 100799327 GYZWNJJELJPBSY-GJZGRUSLSA-N 415.540 3.138 0 40 HGAB Cc1cc(NC(=O)C23C[C@H]4C[C@H](C2)CC(n2cnc(Br)n2)(C4)C3)no1 101115134 HVYLOUKVUCAUEC-VDQHWBOFSA-N 406.284 3.271 0 40 HGAB Cc1c(I)cnn1CCC(=O)N[C@@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 102629678 LDQPVAHCGFAWEQ-PYJNHQTQSA-N 401.292 3.127 0 40 HGAB Cc1nn(Cc2ccc(F)cc2Cl)c(C)c1N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 102630864 MNNBMQCYKDQJSJ-VQHPVUNQSA-N 403.841 3.008 0 40 HGAB CCOC(=O)[C@]1(CN)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(CC)cc1 218639320 DJLLEEVARYHFGM-ZJOUEHCJSA-N 421.946 3.350 0 40 HGAB C[C@@H](NC(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O)c1ccc2c(c1)CCC2 223186607 GWNHDIDZHRSWRY-CYBMUJFWSA-N 408.470 3.097 0 40 HGAB CCOC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(Cl)c(C(=O)OC)c2)c1 223832308 MMKWFMSVPGYKKD-UHFFFAOYSA-N 411.863 3.413 0 40 HGAB Cc1cccc(N([C@@H](C)C(=O)Nc2nnc(-c3ccccc3)s2)S(C)(=O)=O)c1 224055248 GLEJPNRPIHSWMP-AWEZNQCLSA-N 416.528 3.307 0 40 HGAB COCCCNC(=S)Nc1nc(N2CCC[C@@H](C)C2)cc(N2CCCC[C@@H]2C)n1 225901205 MUFXBVBFHVLSFA-SJORKVTESA-N 420.627 3.415 0 40 HGAB CCc1ccc(S(=O)(=O)N2CC[C@@]3(C[C@H]3C(=O)NCc3cccs3)C2)cc1 253606380 ZOYGDGJIOCLLLX-AZUAARDMSA-N 404.557 3.028 0 40 HGAB COc1ccc(-c2csc(NC(=O)CN3CC[C@H](OC)[C@@]4(CCCO4)C3)n2)cc1 257222510 DTODUGWAHJJULW-GHTZIAJQSA-N 417.531 3.027 0 40 HGAB O=C(Cn1cccnc1=O)N1CCCC[C@H]1c1ncc(Cc2ccc(Cl)cc2)o1 257232652 GLVRHNNGCXKWLT-SFHVURJKSA-N 412.877 3.229 0 40 HGAB FC(F)(F)c1ccnc(N2CC[C@]3(COCc4sc(N5CCCC5)nc43)C2)n1 306126594 DZUISJIJQJWNFH-QGZVFWFLSA-N 411.453 3.230 0 40 HGAB CCCS(=O)(=O)N1CCC2(CC1)Oc1ccccc1-c1ncn(CC3CC3)c12 306137946 RKQFCXFXRDTVOM-UHFFFAOYSA-N 401.532 3.383 0 40 HGAB COc1cccc(CN2CCC[C@]3(CN(C(=O)C4(F)CC4)CC(F)(F)C3)C2=O)c1 306138993 SMPNVPHIDKTJRE-IBGZPJMESA-N 410.436 3.174 0 40 HGAB O=C(NCc1nnc2n1CC[C@H](C(F)(F)F)C2)c1cc(Br)cs1 390829945 HPXYSTZRDBHZHB-ZETCQYMHSA-N 409.231 3.157 0 40 HGAB O=C(Cc1c(F)cccc1Cl)N1CC[C@H](c2cccs2)S(=O)(=O)CC1 390831450 RWZPXFJAYNSYJA-MRXNPFEDSA-N 401.912 3.472 0 40 HGAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)cc1 408607858 QRIZBZNDRVUITI-LBPRGKRZSA-N 416.421 3.410 0 40 HGAB CCOc1ccccc1NS(=O)(=O)c1ccc(O[C@H](C)C(=O)NCC(C)C)cc1 408611242 WHAHTBYJMUAYJO-MRXNPFEDSA-N 420.531 3.426 0 40 HGAB C[C@@H]1C=CC[C@H]2C(=O)N(c3ccc(C(=O)Nc4ccc(C(=O)O)cc4)cc3)C(=O)[C@@H]12 408667669 CDNDWQIMLKPNLL-ZNOIYHFQSA-N 404.422 3.339 0 40 HGAB Cc1ccc([C@H](CNC(=O)c2cc(S(C)(=O)=O)cc(C)c2C)N2CCCC2)o1 535409283 QFEJKIDYRDQPBX-IBGZPJMESA-N 404.532 3.175 0 40 HGAB COc1ccc2c(c1)[C@]1(CC2)NC(=O)N(Cc2cc3c(cc2Cl)OCCO3)C1=O 569731294 ROGLKTXCFYFZEK-NRFANRHFSA-N 414.845 3.013 0 40 HGAB O=S(=O)(NCC[C@H](CCO)c1cccs1)c1ccc(OC(F)(F)F)cc1 575608873 ZXNLCOHIUMQVRC-GFCCVEGCSA-N 409.451 3.481 0 40 HGAB CC(=O)Nc1ccc(-c2cnc3n2CCN(C(=O)COCc2ccccc2)CC3)cc1 585111549 VLYYKVNHFUEDTO-UHFFFAOYSA-N 418.497 3.110 0 40 HGAB Cc1cccc(CN2CC[C@H]3[C@H](CC(=O)N4CCC5(CCOC5)CC4)OC[C@H]3C2)c1 1565552017 ZJWLATAGOIBWMB-ZLNRFVROSA-N 412.574 3.251 0 40 HGAB CCc1ccc(-n2nnnc2SCC(=O)Nc2nc3c(s2)CCCC3)cc1 790487 BBJGHAGIKDHMLH-UHFFFAOYSA-N 400.533 3.291 0 40 HGAB CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2cccnc2)c2ccccc2)cc1 801634 WHWBIWAEZBGCEA-UHFFFAOYSA-N 411.483 3.314 0 40 HGAB CCOC(=O)c1sc(NC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)nc1C 4731882 DKQOGEPJBARJOP-NSHDSACASA-N 407.879 3.273 0 40 HGAB Cc1ccc(N(CC(=O)NC(C)(C)C)C(=O)CCC(=O)Nc2ccccn2)cc1C 4848218 DXAYWJMDVXXPNM-UHFFFAOYSA-N 410.518 3.365 0 40 HGAB COc1ccc(OC)c(NC(=O)CSc2nc3sc(C)cc3c(=O)n2C)c1 5017136 PCMSYLZIHBDZOG-UHFFFAOYSA-N 405.501 3.051 0 40 HGAB COC(=O)C1=C(CSc2nnc(C)s2)NC(=O)N[C@@H]1c1ccc(Cl)cc1 5018336 OAMPSUUABWABLH-CYBMUJFWSA-N 410.908 3.073 0 40 HGAB CCc1ccc(-n2nnnc2S[C@H](C)C(=O)Nc2ccc(NC(C)=O)cc2)cc1 5033785 MFKDUDPSLBMCHH-CYBMUJFWSA-N 410.503 3.302 0 40 HGAB Cc1cc(O[C@H](C)C(=O)N(Cc2ccco2)[C@@H]2CCS(=O)(=O)C2)ccc1Cl 5155888 GBBRRTDDGCLIBU-HUUCEWRRSA-N 411.907 3.225 0 40 HGAB COC(=O)CN1C(=O)N/C(=C/c2cc(C)n(-c3cccc4ccccc34)c2C)C1=O 6571398 FWCCBIPUDIKLEG-XDHOZWIPSA-N 403.438 3.313 0 40 HGAB Cc1cc(NS(=O)(=O)c2ccc(NC(=O)CCc3ccco3)cc2)nc(C)n1 6800765 FIHOSLUWEMZUFC-UHFFFAOYSA-N 400.460 3.059 0 40 HGAB CCC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2)cc1 6945418 YMGDFVDKBXKBHD-IAGOWNOFSA-N 404.532 3.410 0 40 HGAB O=C(Nc1nc(-c2ccc3c(c2)OCCO3)cs1)c1n[nH]c(=O)c2ccccc12 6968523 YKNJEDRTQOIQPY-UHFFFAOYSA-N 406.423 3.070 0 40 HGAB COc1cc(C(=S)N2CCN(c3cccc(Cl)c3)CC2)ccc1OCC(=O)O 7499881 VLBNLQXHQLBGHO-UHFFFAOYSA-N 420.918 3.310 0 40 HGAB COc1ccc(C(=O)NCC(=O)NC(c2ccccc2)c2ccccc2)cc1OC 8393646 HSVSSBZWVHKRIC-UHFFFAOYSA-N 404.466 3.339 0 40 HGAB Cc1nc2ccc(NC(=O)CN3C(=O)N[C@]4(CCCc5ccccc54)C3=O)cc2s1 9254067 BMMBNZBVIVRPHM-QFIPXVFZSA-N 420.494 3.327 0 40 HGAB COc1cc(C(=O)OCc2cc3c(cc2Br)OCO3)cc2c1OCCO2 9413183 BJGDSNCAYWLITC-UHFFFAOYSA-N 423.215 3.315 0 40 HGAB COc1ccccc1CC(=O)N[C@@H](C)c1nc2cc(-c3ccccc3F)ncn2n1 12085138 PVURXBYFAFTAPX-AWEZNQCLSA-N 405.433 3.359 0 40 HGAB CC(C)CC(=O)N1CCC[C@H](c2nc(N3CCOCC3)ncc2-c2ccncc2)C1 12089334 GZBHQBGJLYRMEI-IBGZPJMESA-N 409.534 3.127 0 40 HGAB COc1c(Br)cc(Cl)cc1S(=O)(=O)Nc1c(C)nn(C)c1C 12526382 XSTKDEIJBJPNSB-UHFFFAOYSA-N 408.705 3.262 0 40 HGAB C[C@@H](NC(=O)Cn1c(CS(C)(=O)=O)nc2ccccc21)c1ccc(Cl)cc1 12535453 QDFBQVUNWVZUFN-CYBMUJFWSA-N 405.907 3.112 0 40 HGAB C[C@H](NS(=O)(=O)c1ccsc1C(=O)O)c1nc2ccccc2n1C(F)F 12559770 FJDDCKBXDSELDZ-QMMMGPOBSA-N 401.416 3.231 0 40 HGAB C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(F)cc3F)cc2)C[C@@H](C)O1 12561190 UQOLMNSQHVHIPD-BETUJISGSA-N 410.442 3.015 0 40 HGAB O=C(NC1CC1)c1ccc(NS(=O)(=O)c2cccc(OC(F)(F)F)c2)cc1 12733865 RLGCQWQARHJNAK-UHFFFAOYSA-N 400.378 3.278 0 40 HGAB CC(=O)Nc1ccc(C(=O)[C@@H](C)Sc2nnc(NC[C@H]3CCCO3)s2)cc1 12811696 JKYSXWHWHPHFKN-IAQYHMDHSA-N 406.533 3.451 0 40 HGAB Cc1ccc(CN2C[C@H](C(=O)NCC(=O)Nc3c(C)cc(C)cc3C)CC2=O)cc1 12912131 OODLTNRPTPWBBA-HXUWFJFHSA-N 407.514 3.024 0 40 HGAB COc1ccc(-c2csc(NC(=O)[C@@H]3CS[C@@]4(C)CCC(=O)N34)n2)c(OC)c1 13004084 ONFAVXXIUYCHSF-LIRRHRJNSA-N 419.528 3.220 0 40 HGAB C[C@H]1Cc2ccccc2N1C(=O)[C@@H](C)N1C(=O)N[C@@](C)(c2ccc3c(c2)CCC3)C1=O 13113348 KXLDGFJIPBETNP-RVFQGNMQSA-N 417.509 3.309 0 40 HGAB C[C@@H]1CCCN(C(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(C)(=O)=O)C1 13668014 JOTWGEQQDAAYMT-LLVKDONJSA-N 412.861 3.383 0 40 HGAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCN3CCCCC3)cc2C)cc1 13677844 IHSZYGRUCYFXRD-UHFFFAOYSA-N 415.559 3.320 0 40 HGAB Cc1ccc(C)c(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)c1 13710757 ACLDIEGRMPSNBJ-KRWDZBQOSA-N 402.516 3.494 0 40 HGAB Cc1cc(OC(=O)[C@@H]2CC(=O)N(c3cccc(C)c3C)C2)ccc1N1C(=O)CCC1=O 13857244 BTVFJUGNGIDEDM-QGZVFWFLSA-N 420.465 3.224 0 40 HGAB O=C(CN1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1)Nc1cccnc1Cl 14809443 YEPGQSQOHOUYEY-UHFFFAOYSA-N 415.877 3.040 0 40 HGAB COc1cc(NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c(OC)cc1Cl 15970594 DPJDLWMWHWHZQV-UHFFFAOYSA-N 424.906 3.394 0 40 HGAB COc1ccc(/C=c2/sc3nc(-c4ccc(OCC(C)C)cc4)nn3c2=O)cc1 16728978 YRMWHCFEESPRKA-XDHOZWIPSA-N 407.495 3.409 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C)c3ccccc3C)CC2)cc1 17963380 NLOKCJRBQGVCHS-QGZVFWFLSA-N 416.543 3.282 0 40 HGAB Cc1cc2nc(C[C@H](NC(=O)c3cnn(C(C)C)c3)c3ccc(F)cc3)cc(O)n2n1 19129909 DNXQCJBVDMKUQL-IBGZPJMESA-N 422.464 3.374 0 40 HGAB Cc1nc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)Cc2cccnc2)cc(N(C)C)n1 19240878 NANHPSFNOZHZEV-OAQYLSRUSA-N 414.513 3.370 0 40 HGAB CC(C)c1ncc(CN2CCN(c3ccccc3[C@@H](O)c3ccccn3)CC2)cn1 19454080 QJVPZDVKTHIEEH-HSZRJFAPSA-N 403.530 3.399 0 40 HGAB Cc1nn(C[C@@H](C)C(=O)N2CC[C@@H](c3cc4ncccc4c(=O)[nH]3)C2)c(C)c1Cl 19578042 UTVVOJQVJXNTPQ-IUODEOHRSA-N 413.909 3.042 0 40 HGAB Cc1cc(C)c2[nH]c(C)c(CC(=O)NC[C@H](c3cccnc3)N3CCOCC3)c2c1 19715581 SQRJGHVMPWKPHR-JOCHJYFZSA-N 406.530 3.220 0 40 HGAB Cc1n[nH]cc1C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2ccccc2F)CC1 19746625 IONMUYNYESOFCJ-OAQYLSRUSA-N 412.509 3.333 0 40 HGAB COc1ccc([C@@H](CNC(=O)c2ccc(OC)c(Cl)c2)N2CCOCC2)cc1 19897812 WDJOFGMZYJZKBC-LJQANCHMSA-N 404.894 3.161 0 40 HGAB COc1ccccc1CNC(=O)c1cc(S(=O)(=O)N2CCC(C)CC2)ccc1C 20061758 YWZSRDHGSXXVSA-UHFFFAOYSA-N 416.543 3.354 0 40 HGAB COC(=O)c1ccccc1NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc2c(c1)OCO2 20762122 USHUQKBPTDIIBN-HXUWFJFHSA-N 420.425 3.105 0 40 HGAB biogenic Cc1ccc([C@@H](CC(=O)OC(C)C)NC(=O)CCn2c(=O)n(C)c3ccccc32)cc1 22139770 ZYTSLTZIISLYJG-LJQANCHMSA-N 423.513 3.238 0 40 HGAB O=C(c1ccc(CSc2nc3ccccc3c(=O)n2CCCO)cc1)N1CCCC1 25701106 NFQOOCNPIDVASA-UHFFFAOYSA-N 423.538 3.307 0 40 HGAB O=C(CCc1ccccc1Cl)N1CCC(NS(=O)(=O)c2cccs2)CC1 25906144 WMHOSXZEJFLSAS-UHFFFAOYSA-N 412.964 3.304 0 40 HGAB C[C@@H](Nc1ccc2c(c1)OC(F)(F)O2)C(=O)Nc1ccc(N2CCOCC2)cc1 30005812 JWGZNXRFUOSJEI-CYBMUJFWSA-N 405.401 3.284 0 40 HGAB Cc1c(C(=O)NCCc2ccc3c(c2)OCO3)cnn1-c1ccc(C(F)(F)F)cn1 30562908 WYULMGQODDMLNY-UHFFFAOYSA-N 418.375 3.296 0 40 HGAB Cc1cccc(-c2n[nH]c(=S)n2CCC(=O)NC[C@@H]2COc3ccccc3O2)c1 31040676 NXDYXSBCJIVTOH-MRXNPFEDSA-N 410.499 3.262 0 40 HGAB c1ccc(CCNc2nc(N3CCN(c4ccccc4)CC3)c3nccnc3n2)cc1 32094452 KKSXBHKZUGWORZ-UHFFFAOYSA-N 411.513 3.401 0 40 HGAB Cc1ccc2[nH]c(C(=O)Nc3ccc(C)c(S(=O)(=O)N4CCOCC4)c3)cc2c1 32753498 JRHFALOWZNBBTH-UHFFFAOYSA-N 413.499 3.058 0 40 HGAB O=C(NCc1ccnc(N2CCCC2)c1)c1ccccc1I 36391254 PULAEWIWGSTRNF-UHFFFAOYSA-N 407.255 3.216 0 40 HGAB O=C(CN1CCN(C(=O)CCc2ccc(F)cc2)CC1)Nc1ccccc1Cl 36448943 HUJFUABLZJHBSV-UHFFFAOYSA-N 403.885 3.195 0 40 HGAB CCn1ccc(-c2cc(C(=O)N[C@H](C)c3cn(CC)nc3C)c3c(C)noc3n2)n1 36618021 CKWNJSUBSPCCEP-GFCCVEGCSA-N 407.478 3.430 0 40 HGAB Cc1nn(-c2ccccc2)c(C)c1COC(=O)CCn1ncc(=O)c2ccccc21 40009581 RAPFKZIIHKHUAV-UHFFFAOYSA-N 402.454 3.333 0 40 HGAB CC(C)c1c(C(=O)N2CCC[C@@H](C(=O)Nc3nccs3)C2)cnn1-c1ccccn1 40150337 FSRRWHLPRGOSOB-OAHLLOKOSA-N 424.530 3.338 0 40 HGAB CCOC(=O)c1ccc(NC(=O)c2ccc(CS(=O)(=O)N3CCCC3)cc2)cc1 44843832 ZRMCJWZHMVAUDY-UHFFFAOYSA-N 416.499 3.041 0 40 HGAB CCN1CCN(c2ccccc2NC(=O)c2ccc(OCC(F)(F)F)nc2)CC1 45740230 VRWQILAMOAUUBR-UHFFFAOYSA-N 408.424 3.417 0 40 HGAB COCCn1c(SCC(=O)NCc2ccccc2Cl)nc2ccsc2c1=O 57478541 KGZBEBUKPMUDJR-UHFFFAOYSA-N 423.947 3.166 0 40 HGAB CC(=O)N[C@@H](CC(=O)N(c1ccc(S(C)(=O)=O)cc1)C(C)C)c1cccs1 58226917 PPMARDPZRVVYBA-KRWDZBQOSA-N 408.545 3.161 0 40 HGAB COc1ccc(S(=O)(=O)Nc2cc(C(=O)O)c(F)cc2F)cc1Br 58419249 HHHUSBWBQQURAK-UHFFFAOYSA-N 422.203 3.235 0 40 HGAB CCCc1nc(C[S@](=O)Cc2cc3c(cc2Br)OCCO3)no1 71846938 IKLJLZSCICQPJA-QHCPKHFHSA-N 401.282 3.005 0 40 HGAB NC(=O)c1cccc(-c2nccnc2[C@H]2CCCN(C(=O)c3ccc(F)cc3)C2)c1 72358488 KFXQMOYJPAZRKS-SFHVURJKSA-N 404.445 3.401 0 40 HGAB Cc1c(CN2CCC[C@@H](c3ncccc3S(C)(=O)=O)C2)cnn1Cc1ccccc1 72394268 ONRKHNQZLBULIG-HXUWFJFHSA-N 424.570 3.418 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCN(CCn3ccnc3-c3ccccc3)CC2)c(C)c1 77159924 ZWUJDHBTENODRY-UHFFFAOYSA-N 424.570 3.173 0 40 HGAB COC(=O)[C@H](C)NC(=O)[C@H]1c2ccccc2C(=O)N(Cc2ccccc2)C12CCCC2 79493540 ROEIHJVONRHTHS-LAUBAEHRSA-N 420.509 3.417 0 40 HGAB COCCOCCN(Cc1ccccc1)C(=O)c1ccc(-c2cccs2)[nH]c1=O 83911739 SYWKIZMUZRUMQQ-UHFFFAOYSA-N 412.511 3.409 0 40 HGAB COc1cccc(NC(=O)CSc2ccccc2C(=O)OCCn2ccnc2)c1 89470230 CUQIOWWQYKYRFY-UHFFFAOYSA-N 411.483 3.480 0 40 HGAB COC(=O)CC[C@H](Cc1ccccc1)NC(=O)CNc1cc(Cl)ccc1OC 95450695 CVWSBZWVHQUGNK-QGZVFWFLSA-N 404.894 3.441 0 40 HGAB CCn1cc(CN2CCC[C@@H](c3n[nH]cc3NC(=O)c3ccc(OC)cc3)C2)cn1 96000199 MSLVEJOTUKQLFX-GOSISDBHSA-N 408.506 3.267 0 40 HGAB Cc1cc(=O)oc2cc(OCC(=O)Nc3ccc4ncn(C(C)C)c(=O)c4c3)ccc12 96114090 RCOBOAZQZJQMEU-UHFFFAOYSA-N 419.437 3.410 0 40 HGAB biogenic COC(=O)C[C@H](c1ccc(OC)cc1)c1c(O)n[nH]c1Cc1ccc2c(c1)CCO2 96222106 KZIHOQLJXZNMBG-GOSISDBHSA-N 408.454 3.345 0 40 HGAB biogenic C[C@@H](CNC(=O)C1=NO[C@]2(CCN(C(=O)Nc3ccccc3)C2)C1)c1ccccc1 96225758 HAOZTKDBSILLLB-GAJHUEQPSA-N 406.486 3.359 0 40 HGAB CC(=O)Nc1ccc(C(=O)N2CCN(c3cc(-c4ccc(F)cc4)n[nH]3)CC2)cc1 98211802 NERNXJRDZJRSKW-UHFFFAOYSA-N 407.449 3.137 0 40 HGAB CCc1ccc(N2C(=O)C[C@@H](c3c(C)nn(-c4nc5ccccc5[nH]4)c3O)C2=O)cc1 100069053 ZVJWIYHBBZUUQW-INIZCTEOSA-N 415.453 3.372 0 40 HGAB O=C1C[C@H](N2CCN(c3ccc(Cl)cc3)CC2)C(=O)N1c1ccc(Cl)cc1 100500390 GMYQLGVNKMMQGG-SFHVURJKSA-N 404.297 3.448 0 40 HGAB COc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccc(O)cc4)[C@@H]3C2=O)cc1 100919578 CSAGVHLTZREPBO-FKBYEOEOSA-N 416.433 3.452 0 40 HGAB COc1ccc(S(=O)(=O)NCc2ccc(C)cc2)cc1I 113941809 YZOSWYFQGSVTHN-UHFFFAOYSA-N 417.268 3.087 0 40 HGAB Cc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccccc3)[C@@]2(CN)NC(=O)OC(C)(C)C)cc1 218608770 TZNSCRNWRYDTDD-DXIQSLLYSA-N 416.543 3.157 0 40 HGAB CC[C@H](C(=O)NCCCc1ccc(OC)cc1)N(c1ccc(C)cc1)S(C)(=O)=O 219097475 KITLTEOQWFOPEI-OAQYLSRUSA-N 418.559 3.297 0 40 HGAB COc1ccc(S(=O)(=O)NCc2ccc(C(C)C)cc2)cc1N1CCCC1=O 223887745 YKNUWPMLFBATSH-UHFFFAOYSA-N 402.516 3.424 0 40 HGAB CC(C)OCCCNC(=O)c1cccc(S(=O)(=O)N(C)c2ccc(F)cc2)c1 224172354 HXHRFAWBTGHSBP-UHFFFAOYSA-N 408.495 3.196 0 40 HGAB CN(c1ccc(C(=O)NCc2cccnc2)c(Cl)c1)S(=O)(=O)c1ccccc1 224231746 FMCUYRHYUMQEOT-UHFFFAOYSA-N 415.902 3.490 0 40 HGAB Cc1ccc(C(=O)NCCCOC(C)C)cc1N(C)S(=O)(=O)c1ccccc1 224295002 KRBRHOHCWJJRRP-UHFFFAOYSA-N 404.532 3.365 0 40 HGAB C[C@@H]1CCc2c(sc(NC(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C(=O)O)c2C(=O)NC2CC2)C1 225764713 NMGHWFRUXCRMIJ-FRDNIWNGSA-N 414.527 3.227 0 40 HGAB CS(=O)(=O)N(CCCC(=O)NCCCOC1CCCCC1)c1ccccc1F 225811759 KJSNFDXIZPUSHB-UHFFFAOYSA-N 414.543 3.228 0 40 HGAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc3sncc3c2)cc1C 226060182 JKZBFHLGUFBWNK-UHFFFAOYSA-N 419.528 3.263 0 40 HGAB O=C(c1ccc2c(c1)OCCO2)N1CCC[C@@H](c2cccc(Nc3cnccn3)n2)C1 257202467 ALYKNTYCAFSCIX-QGZVFWFLSA-N 417.469 3.406 0 40 HGAB O=C(c1ccncc1)N1CCO[C@@H](c2cc(CCOc3cccc(Cl)c3)[nH]n2)C1 257284519 PCZMUCXJWSRZEK-HXUWFJFHSA-N 412.877 3.293 0 40 HGAB COc1cccc(NS(=O)(=O)c2ccc(O[C@@H](C)C(=O)NCC(C)C)cc2)c1 408600378 ALEYSRVBNIIHHU-HNNXBMFYSA-N 406.504 3.036 0 40 HGAB CCOc1ccccc1NC(=O)COc1ccc(S(=O)(=O)NCC(C)C)cc1 409203976 AMNKXYMSHKXXIQ-UHFFFAOYSA-N 406.504 3.037 0 40 HGAB CCOc1ccc(-n2c(C)nnc2SCC(=O)NCc2ccc(OC)cc2)cc1 409212396 LVUDIQIMKCUCPV-UHFFFAOYSA-N 412.515 3.392 0 40 HGAB C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1ccccc1Br 409258216 UGTRSZSJKAOKBE-JTQLQIEISA-N 417.712 3.408 0 40 HGAB COc1ccccc1OCc1nnc(SCC(=O)N[C@H]2CCCC[C@@H]2C)n1C 409341453 AYQLJEWJDRZMOY-GJZGRUSLSA-N 404.536 3.190 0 40 HGAB O=C(NCCc1nc(-c2ccc(Cl)cc2)no1)c1coc(C2CCOCC2)n1 509479004 LXWYZJSFIKKYGY-UHFFFAOYSA-N 402.838 3.245 0 40 HGAB C[C@@H]1Cc2cc(-c3ccc(CNC(=O)c4ccc5nnc(O)n5c4)cc3)ccc2O1 536516723 ZRKYLYLMXDDAGX-CQSZACIVSA-N 400.438 3.355 0 40 HGAB CC(C)N(C)c1cnn([C@H]2CCCN(C(=O)/C=C/c3ccc(Cl)nc3)C2)c(=O)c1 583621917 RLPYBNIEACQDMJ-LKUPDRCFSA-N 415.925 3.013 0 40 HGAB COc1ccc(S(=O)(=O)NCCc2ccc(-c3cccs3)s2)cc1C(N)=O 1889291914 LFEZRLFEHMMZBQ-UHFFFAOYSA-N 422.553 3.105 0 40 HGAB COc1ccc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2ccccc2OC)c(OC)c1 862509 AADFCWVMVSBULU-LJQANCHMSA-N 413.499 3.144 0 40 HGAB COc1ccc(OC)c(NC(=O)CSc2nnc(C)n2-c2ccccc2OC)c1 908193 DKYDVKZJVKIBLD-UHFFFAOYSA-N 414.487 3.332 0 40 HGAB O=C1C[C@@]2(CON=C2c2ccc(F)cc2)C(=O)N1c1ccc(Br)cc1 2417832 JHDFFHWGYMHMSF-SFHVURJKSA-N 403.207 3.272 0 40 HGAB O=C(Nc1ccc(OC(F)(F)F)cc1)c1cc(O)n(Cc2ccccc2)c(=O)n1 3134878 YWJPJKVDZHUTDY-UHFFFAOYSA-N 405.332 3.148 0 40 HGAB CCOC(=O)c1c(N)n(Cc2ccc(OC)c(OC)c2)c2nc3ccccc3nc12 3169379 PTRWRCVKZQGMKN-UHFFFAOYSA-N 406.442 3.409 0 40 HGAB O=C1CCC[C@H]1Sc1nnc(-c2cccc(S(=O)(=O)N3CCCCC3)c2)o1 3561261 SFLYXMOXVYVSSE-MRXNPFEDSA-N 407.517 3.125 0 40 HGAB O=C(COC(=O)c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)c1)c1ccccc1 4008877 GFAYBRPCWVTBHP-GQSCTRQFSA-N 401.418 3.038 0 40 HGAB COc1ccc(CNC(=O)CCCC(=O)OC[C@@H]2CCCN3CCCC[C@H]23)cc1 4043242 QRWUGCNJJASTRA-PZJWPPBQSA-N 402.535 3.289 0 40 HGAB biogenic CC[C@H](C)N(C(=O)CSc1nc2ccc(Cl)cc2[nH]1)[C@@H]1CCS(=O)(=O)C1 4484991 ODKAQTBFUPEBJJ-WCQYABFASA-N 415.968 3.123 0 40 HGAB CCOc1ccc(-n2nnnc2S[C@@H](C)C(=O)Nc2cccc(C(C)=O)c2)cc1 5034094 YVMPVORTNOEOCD-AWEZNQCLSA-N 411.487 3.383 0 40 HGAB Cc1cc(C)c(NC(=O)CN(C)C(=O)CCNC(=O)c2ccc(Cl)cc2)c(C)c1 5062463 VXUVPTTYUWMGOR-UHFFFAOYSA-N 415.921 3.482 0 40 HGAB CCOc1ccc(N(C(=O)[C@H](C)Oc2ccccc2)[C@H]2C=CS(=O)(=O)C2)cc1 5070936 ZJDPFBYMXUWDTH-WMZOPIPTSA-N 401.484 3.197 0 40 HGAB O=C(COc1ccc(Br)cc1Cl)NC[C@@H]1COc2ccccc2O1 5216037 TVXWYRKUDJMOSN-GFCCVEGCSA-N 412.667 3.438 0 40 HGAB COc1ccc2c(CC(=O)N(C)CC(=O)Nc3ccc(F)c(F)c3F)coc2c1 6308929 KHTVRGOIORLNGR-UHFFFAOYSA-N 406.360 3.498 0 40 HGAB CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)N(C)Cc2c(F)cccc2Cl)C1=O 6601208 VDPYWVWVEXPVJI-OAQYLSRUSA-N 417.868 3.295 0 40 HGAB CCOC(=O)[C@@H]1CCCCN1C(=O)CN1CCC(c2nc3ccccc3s2)CC1 6978589 JLKLQDBLNBTYND-SFHVURJKSA-N 415.559 3.420 0 40 HGAB C[C@]12CCC(=O)N1[C@H](C(=O)Nc1ccc(-c3nnc4n3CCCCC4)cc1)CS2 7407304 AYYBJNCJLCPIDA-KKSFZXQISA-N 411.531 3.064 0 40 HGAB Cc1cccc(NC(=O)CNC(=O)CCNC(=O)c2ccc(C(C)(C)C)cc2)c1C 7989611 NSAWSGDPKBKFQY-UHFFFAOYSA-N 409.530 3.476 0 40 HGAB O=C(CCN1C(=O)c2ccccc2C1=O)OCC(=O)c1ccc(Cl)cc1Cl 8667714 KKMNRSUBWNQTLZ-UHFFFAOYSA-N 406.221 3.406 0 40 HGAB COc1cc([C@H]2CC(=O)Nc3nc(C)[nH]c(=O)c32)ccc1OCc1cccc(C)c1 8971990 PLQKCZKOKIYXQU-QGZVFWFLSA-N 405.454 3.448 0 40 HGAB C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)Nc3cccc(Cl)c3)c2)C[C@H](C)O1 8983272 GDCGSSFGVFHRRM-KBPBESRZSA-N 408.907 3.390 0 40 HGAB COc1ccc(CCNC(=O)Cc2c(C)c3c(OC(C)=O)cc(C)cc3oc2=O)cc1 9183644 NGBWSQHYPHUMBA-UHFFFAOYSA-N 423.465 3.245 0 40 HGAB O=C(CSc1ncnc2sccc12)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1 9245166 MTAOSSGTVXGXFA-CQSZACIVSA-N 419.553 3.004 0 40 HGAB CN(C)C(=O)[C@H](Sc1nnnn1-c1ccc(OC(F)(F)F)cc1)c1ccccc1 9534492 GBUMZUQUWBFQRR-OAHLLOKOSA-N 423.420 3.483 0 40 HGAB C[C@@H](NC(=O)c1cc(Cl)c2c(c1)OCCCO2)c1ccc(S(C)(=O)=O)cc1 12776409 UWFRCHUIXOOLHR-GFCCVEGCSA-N 409.891 3.396 0 40 HGAB Cc1ccc(C)c(OS(=O)(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)c1 12854706 XBGCHJNICCDGOM-UHFFFAOYSA-N 409.529 3.246 0 40 HGAB Cc1ccc(-n2c(SCCN3C(=O)CCC3=O)nc3ccccc3c2=O)cc1F 12915568 FGCJTSNUBBKYKB-UHFFFAOYSA-N 411.458 3.074 0 40 HGAB CC[C@H](C(=O)Nc1ccc2c(c1)OCO2)N(c1ccc(C)c(C)c1)S(C)(=O)=O 13716328 HBGCXPMTDFVIBA-QGZVFWFLSA-N 404.488 3.215 0 40 HGAB O=C(CCC(=O)c1ccc(N2CCOCC2)s1)c1ccc(N2CCOCC2)s1 16430773 CQNNDWBNGRMXJZ-UHFFFAOYSA-N 420.556 3.329 0 40 HGAB Cc1nc(-c2ccc(F)cc2)sc1CCNC(=O)CN1C(=O)c2ccccc2C1=O 16992091 ITSQCQYFXFQGSY-UHFFFAOYSA-N 423.469 3.213 0 40 HGAB C[C@@H](Sc1nnc(N2CCOCC2)n1-c1ccccc1)C(=O)NC1CCCCC1 17278311 JHNGPXIZOSJSQP-MRXNPFEDSA-N 415.563 3.033 0 40 HGAB CC(C)(C)C(=O)N1CCO[C@@](Cc2cccc(-c3cccnc3)c2)(C(=O)NC2CC2)C1 19081478 ACABRAXTCKZDEY-RUZDIDTESA-N 421.541 3.213 0 40 HGAB Cc1cccc(N2C[C@H](c3cc(=O)[nH]c(N[C@H](C)c4ccccn4)n3)CC2=O)c1C 19235566 VGYPDBKCIBRWRJ-IAGOWNOFSA-N 403.486 3.475 0 40 HGAB O[C@@H](CN1CCC[C@@](O)(c2ccc(F)cc2)CC1)c1ccc2c(c1)OCCCO2 19332954 FXGUBIVSHDAYFI-REWPJTCUSA-N 401.478 3.394 0 40 HGAB O=C(CCn1ccnc1)NCCn1nc(-c2ccc(F)cc2)cc1-c1cccnc1 19340516 BTBWMCCAIHFFRX-UHFFFAOYSA-N 404.449 3.154 0 40 HGAB CC1CCC(N2CCc3nc([C@@H]4CCCN(C(=O)[C@@H]5C[C@@H]5C)C4)nc(O)c3C2)CC1 19495959 LRJJRJGCDCTXNE-ASGJETJBSA-N 412.578 3.481 0 40 HGAB C[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCCN3C(=O)COc3cccnc3)cc2N1 19574751 XUOWIRQYEPAUMO-UHOFOFEASA-N 409.412 3.328 0 40 HGAB COc1cccc(OC)c1C(=O)N1CCN(C(=O)c2cc(C)c3ccccc3n2)CC1 19660750 YLXYURGZGGWFST-UHFFFAOYSA-N 419.481 3.159 0 40 HGAB COc1ccc(-c2cnc(N(C)C)nc2[C@@H]2CCCCN2C(=O)c2cnn(C)c2)cc1 19694639 QHGOZZZLVXKSII-FQEVSTJZSA-N 420.517 3.319 0 40 HGAB Cc1cc(NC(=O)Cn2cc(C(=O)N[C@@H](C)c3ccc(C(C)C)cc3)ccc2=O)no1 19750857 NMPMLCYBMSYFAT-INIZCTEOSA-N 422.485 3.398 0 40 HGAB Cc1ccccc1-n1c(S[C@H](C)C(=O)NC[C@H]2CCCO2)nnc1-c1ccncc1 21353075 RZTDLJNDYZMPMT-SJLPKXTDSA-N 423.542 3.414 0 40 HGAB Cn1ncc2c(SCC(=O)N3N=C(c4ccco4)C[C@H]3c3cccs3)ncnc21 21754631 BHNDQGKDQRZZNG-AWEZNQCLSA-N 424.511 3.488 0 40 HGAB COCC(=O)N1CCCc2ccc(NS(=O)(=O)c3cc(C)c(OC)c(C)c3)cc21 21756865 KLRZVIQCRJBTBS-UHFFFAOYSA-N 418.515 3.038 0 40 HGAB CC(C)n1cnc2nc(COc3ccc(NC(=O)c4cccs4)cc3)cc(=O)n21 21796951 HLCCPKCCKCWBHL-UHFFFAOYSA-N 409.471 3.365 0 40 HGAB CC(C)(C)c1ccc(OCCNC(=O)c2cccc(S(=O)(=O)NC3CC3)c2)cc1 21931257 SOMKOQHQUBROTK-UHFFFAOYSA-N 416.543 3.234 0 40 HGAB CC(C)Oc1ccc(N(CC(=O)N[C@H](C)c2ccc(F)cc2)S(C)(=O)=O)cc1 22397737 HOKSUBIWOURPIW-OAHLLOKOSA-N 408.495 3.256 0 40 HGAB CCCNC(=O)Cn1nc2c(c1NC(=O)CSCc1ccccc1)CSC2 23138858 QVAHSPJJXHFHRU-UHFFFAOYSA-N 404.561 3.028 0 40 HGAB CCCn1ccnc1S[C@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 23642470 BJQDVVZLOLRJCW-OAHLLOKOSA-N 422.576 3.197 0 40 HGAB Cc1c(C(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)[nH]c2c1C(=O)CC(C)(C)C2 23805626 WHXYCLSVQYGKBI-UHFFFAOYSA-N 421.541 3.371 0 40 HGAB CSCC[C@H](NC(=O)Cn1cccc(C(F)(F)F)c1=O)c1nc2ccccc2[nH]1 24609976 ZOCLYFJJIZUZSV-HNNXBMFYSA-N 424.448 3.354 0 40 HGAB COC(=O)c1cccc(NC(=O)CSc2nnc(-c3ccc(OC)cc3)n2C)c1 24837987 JIQMWESTICEOBF-UHFFFAOYSA-N 412.471 3.008 0 40 HGAB COc1ccc(OC)c(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(C)s3)C2)c1 25056912 UMPUFZHQHBWGSH-AWEZNQCLSA-N 424.544 3.113 0 40 HGAB CN(CCNC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1)c1ccccc1 28719045 AGEXWANWVHLYKW-UHFFFAOYSA-N 423.538 3.378 0 40 HGAB COc1cccc2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4ncccn4)cc3)oc12 30754092 HCHTYJOBBBPSPP-UHFFFAOYSA-N 424.438 3.285 0 40 HGAB CCCCN1C(=O)C(=O)N(Cc2c(C(=O)OCC)sc3cccc(F)c23)C1=O 31645360 FORFVKPLZQXIAK-UHFFFAOYSA-N 406.435 3.308 0 40 HGAB O=C(NC1CCN(C(=O)NCCOc2ccc(Cl)cc2)CC1)c1ccccc1 32862546 VIWLJJDBEKYZSI-UHFFFAOYSA-N 401.894 3.323 0 40 HGAB O=C(NCC1(N2CCOCC2)CCCCC1)c1c[nH]c(=S)n1-c1ccc(F)cc1 32895570 IOYYMMMDKQIBHQ-UHFFFAOYSA-N 418.538 3.439 0 40 HGAB COc1ccc(CCNC(=O)c2ccc(Cn3cnc4ccccc4c3=O)o2)cc1 36360021 ZKRSBVJLJBLNJO-UHFFFAOYSA-N 403.438 3.019 0 40 HGAB CCc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4[C@@H](C)CCC[C@@H]4C)[nH]c(=O)c32)cc1 38828376 ICZUEABKUWZZRA-ZQIUZPCESA-N 423.517 3.164 0 40 HGAB CCN1CCN(Cc2ccccc2CNC(=O)CSc2ccccc2F)CC1 40089840 FHUVJRDKPBBOLD-UHFFFAOYSA-N 401.551 3.372 0 40 HGAB CN(c1ccccc1)c1ccccc1NC(=O)CN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O 40114479 UKDYLMDGGYRWCM-KFVVBQDRSA-N 401.466 3.200 0 40 HGAB Oc1nc(N2CCOCC2)nc2ncn(-c3ccc(Cl)c(Cl)c3)c(=S)c12 40385696 DGEGNMLYWZLZSP-UHFFFAOYSA-N 410.286 3.394 0 40 HGAB CCN1CCC(N(C2CC2)S(=O)(=O)c2cc(Br)ccc2OC)CC1 48311590 OXWOQUMRWBWIRO-UHFFFAOYSA-N 417.369 3.095 0 40 HGAB Cc1ccc(-c2cc(C(=O)N[C@@H](C)C(=O)NCC(F)(F)F)c3c(C)noc3n2)cc1 48324934 STNOMVHJHNDGFW-LBPRGKRZSA-N 420.391 3.303 0 40 HGAB CCc1ccc(N2C[C@H](C(=O)N3CCC(NC(=O)OC(C)(C)C)CC3)CC2=O)cc1 53774241 PNKZSKYQXSOOKO-QGZVFWFLSA-N 415.534 3.118 0 40 HGAB Cc1cccc(OC[C@H](O)CNC(=O)c2cccnc2SCc2cc(C)on2)c1 57441302 SKWCUSOVBSZIIR-QGZVFWFLSA-N 413.499 3.148 0 40 HGAB CNC(=O)c1cnc(/C=C/c2cccc(NC(=O)c3ccccc3Cl)c2)[nH]c1=O 58300529 OCTLJPZLZPLIES-MDZDMXLPSA-N 408.845 3.206 0 40 HGAB Cc1ccc(-n2c(-c3ccc(Cl)cc3)nn(CN3CCNC(=O)C3)c2=S)cc1 58593292 FXFZFOKFQNGANP-UHFFFAOYSA-N 413.934 3.421 0 40 HGAB COc1ccc(C(=O)N[C@H]2C[C@]3(CCC(=O)N(C)CC3)Oc3ccccc32)cc1OC 72327744 BGNVYNVRWZXQBH-MHECFPHRSA-N 424.497 3.339 0 40 HGAB Cc1ncc2c(n1)[C@]1(C)CCCN(C(=O)c3cn4c5c(cccc5c3=O)CC4)[C@H]1CC2 72342450 VICMIFSINLZXJQ-NBGIEHNGSA-N 414.509 3.165 0 40 HGAB Cc1cc(C)n(C[C@H](C)C(=O)Nc2ccccc2[C@@H]2NC(=O)c3cccnc3N2C)n1 72347389 SZGVEVOTDPJVLF-LHSJRXKWSA-N 418.501 3.048 0 40 HGAB Cc1ccc(C2(CN3CCC(NC(=O)CCn4cncn4)CC3)CCCCC2)cc1 72393570 PQNADZGREQLQJV-UHFFFAOYSA-N 409.578 3.459 0 40 HGAB COc1ccccc1CN1C[C@H](C(=O)Nc2nnc(C3CCCC3)s2)CC1=O 72406287 ARZVQHMPZSTSDS-OAHLLOKOSA-N 400.504 3.192 0 40 HGAB O=C(CN1CCOc2cccc(F)c21)Nc1cc(C(F)(F)F)ccc1-n1cncn1 79103670 YCOWDLNYQCQOHF-UHFFFAOYSA-N 421.354 3.263 0 40 HGAB COc1ccc(OC)c(-c2cc(C(=O)NCC[C@@H](O)c3cc(C)oc3C)n(C)n2)c1 90613428 JKXSBYQTJCHLAP-HXUWFJFHSA-N 413.474 3.168 0 40 HGAB Cn1cc(-c2nc([C@@H]3CCCCCN3C(=O)c3cc(F)cc4[nH]cnc34)no2)cn1 96001833 VKANMVOMLDMUOP-INIZCTEOSA-N 409.425 3.243 0 40 HGAB CC(=O)N1CCC2(CC1)C[C@@H](NC(=O)Cc1ccc(N(C)C)cc1)c1ccccc1O2 96156907 XNQXMUQSRCFPIO-JOCHJYFZSA-N 421.541 3.316 0 40 HGAB CC(C)[C@H](NC(=O)Cn1nc(-c2cccs2)ccc1=O)c1nc2ccccc2[nH]1 96231112 GYSKAGZULQPSQY-FQEVSTJZSA-N 407.499 3.362 0 40 HGAB CCC(CC)C(=O)NC[C@H]1O[C@H](Cc2cc(COc3ccccc3)on2)CC[C@@H]1O 96268994 UWADIXJSHFNSQM-ILWGZMRPSA-N 416.518 3.257 0 40 HGAB biogenic,in-vitro Cc1ccc(N2C(=O)[C@@H]3NN=C(C(=O)C(c4ccccc4)c4ccccc4)[C@@H]3C2=O)cc1 101363391 UPGCEOUJBIHTMY-JTHBVZDNSA-N 423.472 3.213 0 40 HGAB COc1ccc(NC(=O)CCCN(c2ccccc2F)S(C)(=O)=O)cc1OC 113965511 PLTGVLOIVSSLNZ-UHFFFAOYSA-N 410.467 3.028 0 40 HGAB COC(=O)[C@H]1C[C@H](Oc2ccccc2F)CN1C(=O)c1cc(Cl)ccc1OC 206797294 RGDKIUWWSOXZGY-XJKSGUPXSA-N 407.825 3.323 0 40 HGAB Cc1ccccc1CSCCNC(=O)c1ccc(C)c(N(C)S(C)(=O)=O)c1 222452620 GQCNTZMELLZTDF-UHFFFAOYSA-N 406.573 3.362 0 40 HGAB COc1ccc(N(CCCC(=O)N[C@@H](C)c2ccccc2C)S(C)(=O)=O)cc1 224379230 PJBYWRXTERIYPM-KRWDZBQOSA-N 404.532 3.427 0 40 HGAB CCN1c2cc(OC)c(OC)cc2C(C)=C(C(=O)NCC2=CCCCC2)S1(=O)=O 224582011 FJCJWAFLOQYGHW-UHFFFAOYSA-N 420.531 3.221 0 40 HGAB O=C(O)CN(c1ccc(F)c(F)c1)S(=O)(=O)c1ccc(Br)cc1 224736957 BTVVKJDBSPZKEF-UHFFFAOYSA-N 406.204 3.007 0 40 HGAB CCOc1ccc(-c2noc(CNC(=O)c3ccc(Cn4ccnc4)cc3)n2)cc1 224979256 BNWNLHVLHFLGNA-UHFFFAOYSA-N 403.442 3.310 0 40 HGAB COc1ccc(Br)c(C(=O)NCC2CCN(C3CCOCC3)CC2)c1 225563668 QQBBVPAFQFDGET-UHFFFAOYSA-N 411.340 3.079 0 40 HGAB S=C(NC[C@@H]1CCCO1)Nc1nc(Cl)cc(N2CCc3ccccc3C2)n1 225910747 DEHNWSJTDXXBSL-HNNXBMFYSA-N 403.939 3.158 0 40 HGAB CCOC[C@]1(CN)[C@H](c2ccc(OC)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 242750275 ZJNJMNNUEPNQEG-VAMGGRTRSA-N 409.935 3.270 0 40 HGAB CO[C@H]1CN(CC(=O)Nc2ncc(Cc3ccccc3F)s2)CC[C@]12CCCO2 257202171 AKTIOZUGYUPCOF-GHTZIAJQSA-N 419.522 3.081 0 40 HGAB CCC(=O)NC(=S)Nc1ccc(N2CCN(Cc3ccccc3F)CC2)cc1 408624875 CYLUYKHNPDSOHM-UHFFFAOYSA-N 400.523 3.371 0 40 HGAB COc1ccc(NC(=O)N2CC[C@@](C)(O)[C@@H](NC(=O)C3CC3)[C@@H]2c2ccccc2)cc1 514289896 MBCWCBOXMXGFRX-AWRGLXIESA-N 423.513 3.320 0 40 HGAB biogenic,in-vitro Cc1ccc(CNC(=O)C(=O)NC[C@@H]2CCN(C3CC3)C2)c(O[C@@H](C)CC(C)C)c1 551280433 NTOXYSFDCDBGND-OALUTQOASA-N 415.578 3.025 0 40 HGAB O=S(=O)(NC[C@H](O)c1ccc(-c2ccsc2)o1)c1ccc(-n2cccn2)cc1 575611835 YCSSOZGYZQDQNW-KRWDZBQOSA-N 415.496 3.206 0 40 HGAB COc1ccc(CCC(=O)NC[C@@H]2OCCc3cn(Cc4ccccc4)nc32)cc1 585111609 XZWZFVZIRRBTSK-QFIPXVFZSA-N 405.498 3.303 0 40 HGAB Cn1cc(-c2cncc(C(=O)Nc3ccc(CN4CCOCC4)c(Cl)c3)c2)cn1 680090015 KLUAKVPJGHFGDZ-UHFFFAOYSA-N 411.893 3.220 0 40 HGAB CN1CC[C@@H](c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)[C]1CO 1560407556 QPTPHHUTBMGNQB-GFCCVEGCSA-N 400.838 3.468 0 40 HGAB COC(=O)Nc1ccc(S(=O)(=O)NC[C@@H](O)c2ccc(-c3cccs3)o2)cc1 1775966894 MXWWQGHAVYZVRW-CQSZACIVSA-N 422.484 3.198 0 40 HGAB COc1ccc2c(=O)n(CC3CCN(c4cnc5ccccc5n4)CC3)cnc2c1 1889278501 KAHHIXXBOWIPKY-UHFFFAOYSA-N 401.470 3.265 0 40 HGAB C[C@@H](CCC(=O)O)[C@@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3C[C@H](O)[C@@]12C 2060993463 BHQCQFFYRZLCQQ-RRZUPZLRSA-N 408.579 3.449 0 40 HGAB COc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3cccc(Cl)c3C)CC2=O)cc1 800435 UFTVAEYGVQRUOK-CQSZACIVSA-N 416.861 3.192 0 40 HGAB CC(=O)Nc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)cc1 2626095 TZRRIPFYTRCKKM-UHFFFAOYSA-N 415.515 3.462 0 40 HGAB COc1ccc(CC(=O)Nc2c3c(nn2-c2cccc(Cl)c2)C[S@](=O)C3)cc1 2724937 JVTDSBKNECFBRS-NDEPHWFRSA-N 415.902 3.478 0 40 HGAB O=C(Nc1cccc(C(=O)N2CCN(C(=O)c3ccco3)CC2)c1)c1ccccc1 2865504 KKXMNPHCQUVHJK-UHFFFAOYSA-N 403.438 3.130 0 40 HGAB O=C(Nc1nnc(C2CC2)s1)c1cccc(S(=O)(=O)N2CCCCCC2)c1 3552794 ZEEJNKPFYPUDGI-UHFFFAOYSA-N 406.533 3.233 0 40 HGAB CN(C)S(=O)(=O)c1cccc(C(=O)NCCc2ccc(Cl)cc2Cl)c1 3615275 MJTPTDCFFIFMAM-UHFFFAOYSA-N 401.315 3.216 0 40 HGAB COCCCNC(=S)N(Cc1cc2cc(OC)ccc2[nH]c1=O)C1CCCC1 4133325 JWNBMEMZIQRLEI-UHFFFAOYSA-N 403.548 3.192 0 40 HGAB COc1ccc(-c2nnc3ccc(SCC(=O)N4CCc5ccccc54)nn23)cc1 4164910 MCZLVCGPMDBABS-UHFFFAOYSA-N 417.494 3.481 0 40 HGAB O=c1c2cnn(-c3ccccc3)c2ncn1CCOc1cccc(Br)c1 5428338 IKEJIHLKGXKKBU-UHFFFAOYSA-N 411.259 3.424 0 40 HGAB Cc1cc(S(=O)(=O)NCC(C)C)ccc1OCC(=O)NCc1ccc(Cl)cc1 6233233 SXVOAENONDCXAZ-UHFFFAOYSA-N 424.950 3.278 0 40 HGAB CN(C)S(=O)(=O)c1ccc(NC(=O)CNc2cccc(C(F)(F)F)c2)cc1 6249705 UYHBBRXFOLZDBR-UHFFFAOYSA-N 401.410 3.006 0 40 HGAB COc1ccc(C(=O)N2CCCc3ccccc32)cc1S(=O)(=O)N1CCCC1 6588824 CCIYGBILSJRZQJ-UHFFFAOYSA-N 400.500 3.073 0 40 HGAB O=C(CN1C(=O)NC2(CCCC2)C1=O)Nc1nc(-c2ccc3c(c2)CCC3)cs1 6880200 WBRWOXXLVDMCPG-UHFFFAOYSA-N 410.499 3.102 0 40 HGAB COc1ccc(-n2c(SCC(=O)NC(C)C)nnc2[C@H](C)N2CCCCC2)cc1 7023191 OHHUCCCRLQFYJM-INIZCTEOSA-N 417.579 3.440 0 40 HGAB COc1cc(OC)c(OC)cc1CNC(=O)CCc1c(C)nn(CC(C)C)c1C 7437085 KDBBFPNTXKXXOT-UHFFFAOYSA-N 403.523 3.431 0 40 HGAB C[C@]1(c2cccc3ccccc23)NC(=O)N(CC(=O)NCCc2cccs2)C1=O 7827295 JVYOFRFZIGJPKR-JOCHJYFZSA-N 407.495 3.027 0 40 HGAB COc1ccc(Cl)cc1N1C[C@@H](C(=O)Nc2ccc(NC(C)=O)cc2)CC1=O 7881900 DUBNSEYUINRVEK-ZDUSSCGKSA-N 401.850 3.299 0 40 HGAB O=C(N[C@H]1CCN(Cc2ccccc2)C1)C1CCN(C(=O)Nc2ccccc2)CC1 7988585 PSGVWFZBBWVYHK-QFIPXVFZSA-N 406.530 3.321 0 40 HGAB O=C(NN1C(=O)NC2(CCCCC2)C1=O)c1ccc(-c2nc3ccccc3s2)o1 8193030 IDSNIFJFHHQTFS-UHFFFAOYSA-N 410.455 3.456 0 40 HGAB COc1cc(OC)c(N2C[C@H](C(=O)NCc3ccccc3OC)CC2=O)cc1Cl 8277312 HMBHOJVCGHDXTR-CQSZACIVSA-N 418.877 3.035 0 40 HGAB COc1ccc2[nH]c(C)c(CCNS(=O)(=O)c3cc(OC)c(C)cc3OC)c2c1 8714987 CIDDLROQBICKJS-UHFFFAOYSA-N 418.515 3.332 0 40 HGAB CC(C)CCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(Cl)cc1Cl 9013126 WWLGWYLKWWUAKR-UHFFFAOYSA-N 424.332 3.247 0 40 HGAB COc1ccc(-c2cc(-c3nnc(SCC(=O)c4ccccc4)n3N)[nH]n2)cc1 9109323 IJCHAUIFFSLZPM-UHFFFAOYSA-N 406.471 3.033 0 40 HGAB CCOc1ccc2nc(NC(=O)c3cc4c(=O)n5ccccc5nc4n3C)sc2c1 9169454 WFSIAEWLAIDYTG-UHFFFAOYSA-N 419.466 3.447 0 40 HGAB O=C(NCc1ccc(N2CCCC2=O)cc1)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 9643827 RWTCZBKEAIFAIH-LJQANCHMSA-N 420.513 3.374 0 40 HGAB C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)OCC(=O)c2ccc[nH]2)c1 9665309 CBQKJSQQYQNCAN-OAHLLOKOSA-N 424.478 3.194 0 40 HGAB COc1ccc(OC)c(NC(=S)NCCc2cc3ccc(OC)cc3[nH]c2=O)c1 9669272 BTLMXSDVZYLBAF-UHFFFAOYSA-N 413.499 3.083 0 40 HGAB NC(=O)C1CCN(c2nc3c(-c4cccc(F)c4)nnn3c3ccc(Cl)cc23)CC1 9858870 IBOALRAWWGAIBK-UHFFFAOYSA-N 424.867 3.439 0 40 HGAB COc1ccc(C(=O)Nc2cccc(Cl)c2N2CCN(C(C)=O)CC2)c(OC)c1 10010390 CEEIUBDVCAGMQG-UHFFFAOYSA-N 417.893 3.278 0 40 HGAB CS(=O)(=O)c1ccc(NC(=S)N2CCN(c3cccc(Cl)c3)CC2)cc1 10386649 SMBUPYRVBOFUOX-UHFFFAOYSA-N 409.964 3.263 0 40 HGAB CC(=O)NCc1ccc(-c2csc(NC(=O)CCc3nc4ccccc4[nH]3)n2)o1 10894968 WRIYQSKCTVWWTJ-UHFFFAOYSA-N 409.471 3.487 0 40 HGAB Cc1nn(C)cc1CN1CCC(O)(Cn2c(C(F)(F)F)cc3cccnc32)CC1 12132426 NZYNSLDVYKXIFC-UHFFFAOYSA-N 407.440 3.124 0 40 HGAB COc1ccc(NC(=O)CNC(=O)c2ccc3nc(-n4cccc4)sc3c2)cc1 12409781 SPZVYSOUAZKVHN-UHFFFAOYSA-N 406.467 3.464 0 40 HGAB C[C@@]12C[C@@H](c3ccccc3O1)[C@@H](S(=O)(=O)c1ccc(Br)cc1)C(=O)N2 12438046 FEAIIMRPTFULDF-LESCRADOSA-N 422.300 3.004 0 40 HGAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C1(c2cccc(F)c2)CCC1 12754469 RSHKBVRODCEMAW-UHFFFAOYSA-N 406.479 3.145 0 40 HGAB C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)Cc3ccc(Cl)cc3)cc2)C[C@@H](C)O1 12812652 WHGVRNLSEFFPRT-HUUCEWRRSA-N 422.934 3.319 0 40 HGAB COc1ccc(N2C[C@H](C(=O)Nc3nc4c(s3)C[C@@H](C)CC4)CC2=O)cc1OC 12907074 ZJASDINSQMFBHY-QWHCGFSZSA-N 415.515 3.277 0 40 HGAB Cc1ccc(NC(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)c(Br)c1 12985535 KYNSYWVWJAZRMG-UHFFFAOYSA-N 409.305 3.451 0 40 HGAB CCc1nnc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc3ccccc3c2)s1 13549464 AZTPZIWJNXEFAE-INIZCTEOSA-N 416.528 3.046 0 40 HGAB O=C(CCN1C(=O)S/C(=C\c2cccs2)C1=O)Nc1ccc(C(=O)O)c(O)c1 13572830 IWNGFHBAKJHZJZ-ZROIWOOFSA-N 418.452 3.217 0 40 HGAB CN(C(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1)c1ccccc1 13674850 NOVCMFAHZUGJRC-OAQYLSRUSA-N 408.479 3.306 0 40 HGAB COc1cccc(NC(=O)C[C@H]2C(=O)Nc3nc(SCc4ccccc4)nn32)c1 13731959 FUJUEKNRQQUQNF-INIZCTEOSA-N 409.471 3.101 0 40 HGAB CC(C)CNc1nc2c(c(=O)n(Cc3ccccc3)c(=O)n2C)n1Cc1ccccc1 13763530 GWDAVWKEBWXNDM-UHFFFAOYSA-N 417.513 3.061 0 40 HGAB biogenic CC(C)(C)n1ccc(CN2CCC([C@@H]3Nc4ccccc4S(=O)(=O)N3)CC2)c1 14001563 ZJNIBPVYAXILPN-HXUWFJFHSA-N 402.564 3.185 0 40 HGAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(OC)cc2)cc1Cl 16692665 CAALDEGANZTENM-UHFFFAOYSA-N 412.895 3.007 0 40 HGAB COC(=O)c1cc(C2CC2)nc2c1c(-c1ccccc1)nn2[C@@H]1CCS(=O)(=O)C1 16850696 CUNBCRAWJPVNRY-OAHLLOKOSA-N 411.483 3.122 0 40 HGAB Cc1nc2nc(N)nn2c(C)c1CCC(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1 17963116 OVYJSEKBPDMDTP-VIFPVBQESA-N 407.305 3.440 0 40 HGAB O=C(Cc1ccc(F)cc1)N[C@H](Cc1cc(=O)[nH]c(N2CCCC2)n1)c1ccccc1 19369350 XPUUDAXMFXXUCV-OAQYLSRUSA-N 420.488 3.152 0 40 HGAB CCc1cc(C(F)(F)F)n2nc([C@@H]3CCCN3C(=O)c3cn(C)nc3C)cc2n1 19522307 JKHXADNEYIESMY-HNNXBMFYSA-N 406.412 3.330 0 40 HGAB CN(C)CCN(C)c1nc(-c2ccccn2)nc2c1CN(Cc1ccc(F)cc1)CC2 19582482 OBVJHNYPVWLIOG-UHFFFAOYSA-N 420.536 3.234 0 40 HGAB CCC(=O)N1CCC[C@@H]1c1nc(C)c2c(n1)N(Cc1ccccc1OC)C(=O)CC2 19740560 WRRGKEPMDUXLJI-GOSISDBHSA-N 408.502 3.347 0 40 HGAB Cc1nc(C(F)(F)F)ccc1C(=O)N[C@@H]1CCCN(C(=O)c2c(C)noc2C)CC1 19749077 IRDAZGZERZJYRH-CQSZACIVSA-N 424.423 3.438 0 40 HGAB CCOc1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 19857120 JCOHKSWNYHCJMO-SFHVURJKSA-N 402.516 3.266 0 40 HGAB COc1ccccc1CN(C)C(=O)c1ccc(C)c(S(=O)(=O)N2CCCC2)c1 20458110 AFGYDOFPKVPSEX-UHFFFAOYSA-N 402.516 3.060 0 40 HGAB CC1(C)C[C@H](NC(=O)CN(c2ccccc2F)S(C)(=O)=O)c2ccccc2O1 22335198 XMSHWQXTCYLYOG-INIZCTEOSA-N 406.479 3.010 0 40 HGAB CC(C)Oc1ccc(N(CC(=O)N[C@H]2CCCc3ccccc32)S(C)(=O)=O)cc1 22397289 XENDDGJRWXFGFV-NRFANRHFSA-N 416.543 3.434 0 40 HGAB CCOc1cccc(N(CC(=O)N[C@H](CC)c2ccc(OC)cc2)S(C)(=O)=O)c1 22398263 NHNWWFDYRAWXCT-HXUWFJFHSA-N 420.531 3.127 0 40 HGAB O=C(NCCc1ccc(Br)s1)N1CCN(c2nccs2)CC1 22882550 FVWWTXTVLWNRQK-UHFFFAOYSA-N 401.355 3.041 0 40 HGAB Cc1ccccc1C(=O)NCCC(=O)N1CCN(Cc2nc3ccccc3s2)CC1 23872941 LPYGBFOKEVRTEY-UHFFFAOYSA-N 422.554 3.069 0 40 HGAB COc1ccc([C@H](NC(=O)C[C@@H]2Sc3ccccc3NC2=O)c2nccn2C)cc1 24025197 DUZWQBFCZXZUKW-ICSRJNTNSA-N 422.510 3.137 0 40 HGAB O=C(CS[C@H]1CCS(=O)(=O)C1)NCc1ccc(Oc2ccc(F)cc2)cc1 24767566 HTGCHVRNKZPBHK-SFHVURJKSA-N 409.504 3.155 0 40 HGAB COCCNC(=O)CN(C)C(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 24985786 XPNRBHVVEAMJJJ-UHFFFAOYSA-N 411.889 3.390 0 40 HGAB CCN1CCN(c2ccccc2NC(=O)CCCNC(=O)c2cccs2)CC1 24989203 LACIRFWXSLRXAY-UHFFFAOYSA-N 400.548 3.039 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)Nc2cc(C)ccc2OC)c(C)c1 28207726 YWOBPIBFGMSPLW-UHFFFAOYSA-N 420.531 3.360 0 40 HGAB O=C(c1cc(Br)ccc1O)N1CCC(c2nnc3ccccn23)CC1 28735924 INSMAFZPDFFBHT-UHFFFAOYSA-N 401.264 3.217 0 40 HGAB COc1ccccc1[C@@H](C)NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 31692396 QZKKBYJIWCALOG-QGZVFWFLSA-N 416.543 3.114 0 40 HGAB Cc1nn(-c2ncnc3[nH]cnc23)c2c1[C@@H](c1ccc(Cl)cc1)SCC(=O)N2 31806819 IMAHHXPNYRAQDU-OAHLLOKOSA-N 411.878 3.275 0 40 HGAB COc1ccccc1N1C[C@@H](C(=O)Nc2nnc(CCc3ccccc3)s2)CC1=O 31815932 DCEKKCLMVPGXMA-INIZCTEOSA-N 422.510 3.324 0 40 HGAB O=C(c1sccc1-n1cccc1)N1CCN(Cc2ccc3c(c2)OCCO3)CC1 32237589 HRQBYCLVQVQITR-UHFFFAOYSA-N 409.511 3.268 0 40 HGAB COc1ccc(N2C(=O)C[C@@H](N(C)Cc3nc4ccccc4s3)C2=O)c(OC)c1 32771897 LDSVYIPVVRBONW-MRXNPFEDSA-N 411.483 3.077 0 40 HGAB C[C@@H]1CN(Cc2ccc(C(=O)N3CCN(c4ccc(F)cc4)CC3)cc2)C[C@@H](C)O1 32824516 PAZYSRJQVVYRPR-RTBURBONSA-N 411.521 3.397 0 40 HGAB O=C(NCC(=O)N1CCc2[nH]c3c(Br)cccc3c2C1)c1ccccc1 36370109 JIRKJJYJRRJBQU-UHFFFAOYSA-N 412.287 3.245 0 40 HGAB biogenic O=C(NCc1ccccc1-n1ccnc1)c1ccccc1I 38752101 YDYMCXSWXHHZBJ-UHFFFAOYSA-N 403.223 3.407 0 40 HGAB O=C(c1cn(-c2cccc(Br)c2)nn1)N1CCC[C@H](C(F)(F)F)C1 40073880 SWAGSEXXIIDHBG-JTQLQIEISA-N 403.202 3.444 0 40 HGAB Cc1cc(C(=O)N2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)c(C)[nH]1 40079560 GMXVGVDQJIIEIE-UHFFFAOYSA-N 416.330 3.085 0 40 HGAB C[C@@]1(c2cccc(NC(=O)c3cc(Br)ccc3Cl)c2)NC(=O)NC1=O 40110882 RYDOHXSPYHBQBT-KRWDZBQOSA-N 422.666 3.409 0 40 HGAB O=C1C[C@@H](C(=O)NC2CCCCC2)c2c(nc(Nc3ccc(Cl)cc3)[nH]c2=O)N1 40399332 IJZCPCXIVNPKNC-CQSZACIVSA-N 415.881 3.042 0 40 HGAB CC[C@@H](C)n1c(=O)c2ccccc2n(CC(=O)NCc2ccc(F)c(Cl)c2)c1=O 44840901 XTABSVYJXUPDNC-CYBMUJFWSA-N 417.868 3.243 0 40 HGAB CC[C@H](C)n1c(=O)c2ccccc2n(CC(=O)NCc2ccc(F)c(Cl)c2)c1=O 44840906 XTABSVYJXUPDNC-ZDUSSCGKSA-N 417.868 3.243 0 40 HGAB CCOc1cccc(CNC(=O)CN(c2ccc(Cl)cc2C)S(C)(=O)=O)c1 44842841 GDTLOJYYEGWFED-UHFFFAOYSA-N 410.923 3.130 0 40 HGAB CCn1c(CNC(=O)[C@H]2CCCN(C(=O)Cc3ccccc3)C2)nc2ccccc21 46166424 PQGICPQZQAFRCX-IBGZPJMESA-N 404.514 3.154 0 40 HGAB C[C@H]1C[C@@H](C)CN(Cc2ccccc2CNC(=O)c2ccc(S(C)(=O)=O)cc2)C1 48341326 WDPRJRVCWYHJSM-HDICACEKSA-N 414.571 3.498 0 40 HGAB Cn1cc(CC(=O)N2CCN(CC(=O)Nc3ccccc3Cl)CC2)c2ccccc21 48343461 RCYDRZULGDXLKL-UHFFFAOYSA-N 424.932 3.157 0 40 HGAB C[C@H](Sc1ccc(S(=O)(=O)N2CCOCC2)cn1)c1cc(F)ccc1F 56265682 GADYHELTGFBFER-LBPRGKRZSA-N 400.472 3.234 0 40 HGAB CCc1cc(=O)n(CC(=O)Nc2ccc(NC(C)=O)cc2)c(-c2ccc(F)cc2)n1 57508842 INNCXUFDNZARCN-UHFFFAOYSA-N 408.433 3.209 0 40 HGAB Cc1cccc(C(=O)Nc2ccccc2-c2nnn(CC(=O)NC3CCCCC3)n2)c1 57613781 HZTICNKPTJQBBC-UHFFFAOYSA-N 418.501 3.350 0 40 HGAB Cc1ccccc1-c1nnc(S(=O)(=O)Cc2csc(-c3ccccn3)n2)n1C 58161632 BXMPDEHIFKMKPW-UHFFFAOYSA-N 411.512 3.283 0 40 HGAB Cc1cccc(CNC(=O)CCn2ccn3nc(-c4ccc(F)cc4)cc3c2=O)c1 67261151 MIAXJKPOWASALQ-UHFFFAOYSA-N 404.445 3.317 0 40 HGAB CC(C)c1ccc(CCC(=O)N2CCOC[C@H]2c2noc(-c3cnn(C)c3)n2)cc1 96001820 IZYIJJPRKJONIM-IBGZPJMESA-N 409.490 3.126 0 40 HGAB Cc1cc(C)nc(N2CCC[C@H](C(=O)N[C@H](CC(C)C)c3nnc4ccccn34)C2)n1 96116920 QUKLEIFHGKWLTA-RBUKOAKNSA-N 421.549 3.256 0 40 HGAB COc1ccc(CNC[C@H]2Cn3cc(-c4ccc5c(c4)OCCCO5)nc3CO2)cc1 96269415 BNYOTJBDCZTIAV-FQEVSTJZSA-N 421.497 3.409 0 40 HGAB biogenic,in-vitro O=C(CCN1C(=O)S/C(=C/c2cccs2)C1=O)NC(=O)NCc1ccccc1 96941423 IYDDBEJUANNLCB-RVDMUPIBSA-N 415.496 3.201 0 40 HGAB Cc1ccc(N(CN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@H]3C2=O)C(=O)C(F)(F)F)c(C)c1 100394851 LVXFLKUWBMVGIP-GBALJZQLSA-N 418.415 3.209 0 40 HGAB CC[C@@H](C(=O)N[C@H](C)COc1ccccc1C)N(c1ccccc1)S(C)(=O)=O 219085651 SYUHWZGEHPXMFP-MJGOQNOKSA-N 404.532 3.123 0 40 HGAB Cc1cc(C)cc(OCCNC(=O)[C@H](C)N(c2cc(C)cc(C)c2)S(C)(=O)=O)c1 224071545 NDPZQMMEFNFCFP-IBGZPJMESA-N 418.559 3.270 0 40 HGAB CC(C)(C)C(=O)Nc1nnc(S(=O)(=O)NCc2ccc(Cl)cc2Cl)s1 224812097 IXVCZECMVSSSFD-UHFFFAOYSA-N 423.347 3.308 0 40 HGAB CCC(=O)Nc1nnc(S(=O)(=O)N[C@H]2CC(CC)(CC)Oc3ccccc32)s1 225767116 QBFDAAFTQKCWIA-ZDUSSCGKSA-N 424.548 3.248 0 40 HGAB COc1ccc2c(c1)OC1(CCN(S(=O)(=O)Cc3ccc(F)cc3)CC1)CC2=O 225820294 ARSXSKCYJCIRSH-UHFFFAOYSA-N 419.474 3.164 0 40 HGAB CCOc1ccc2c(c1)OC1(CCN(S(=O)(=O)c3cccs3)CC1)CC2=O 225820923 YKNFCPISQQAOBW-UHFFFAOYSA-N 407.513 3.336 0 40 HGAB Cc1ccc([C@H]2[C@@H]3C(=O)N(C(C)(C)C)[C@H](C(=O)NC4CCCC4)[C@@]34C=C[C@H]2O4)cc1 245227180 DXOLGWOCJNTKGM-RCCCMVMJSA-N 408.542 3.470 0 40 HGAB Cc1cccc(CC(=O)NC[C@H]2CC[C@H](c3nc(C)ncc3C(=O)N(C)C)CC2)c1 257233557 GPSVULVQWSJRHL-KESTWPANSA-N 408.546 3.428 0 40 HGAB CCN(CC)S(=O)(=O)N1CCO[C@H](c2cc(Cc3ccc(F)cc3)cc(C)n2)C1 257285851 PJDYGWYQBFSMGP-NRFANRHFSA-N 421.538 3.080 0 40 HGAB CC(=O)N1CCC(Cc2ccccc2F)(C(=O)N2CCC[C@H](c3cnccn3)C2)CC1 257288811 PVUUZMQQAMDQQV-FQEVSTJZSA-N 424.520 3.193 0 40 HGAB O=C1CCCC[C@@H]2[C@H](C[C@@H](Cc3ccc(F)cc3)N2C(=O)COc2ccccc2)N1 257313755 UTZNEHMXNKJQTL-BAGYTPMASA-N 410.489 3.476 0 40 HGAB Cc1ccc(N([C@H](C)C(=O)Nc2ccc(N3CCCC3)cc2)S(C)(=O)=O)cc1 260897459 MCTHCXCPYGUJIB-QGZVFWFLSA-N 401.532 3.388 0 40 HGAB COC(=O)COc1ccccc1/C=C1\SC(=O)N(CCOc2ccccc2)C1=O 409052334 RXUYHXSJLVUVKE-AQTBWJFISA-N 413.451 3.354 0 40 HGAB COc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCC(N)=O 409192436 CMCDLTBPAORZEM-CXUHLZMHSA-N 418.858 3.454 0 40 HGAB Cc1nc(Nc2nc(C)c(C)s2)cc([C@H]2CCN(C(=O)/C=C/c3ccnn3C)C2)n1 585292572 OTYZLDIRMOEQBB-JFDDCEBESA-N 423.546 3.365 0 40 HGAB CC(=O)N1CC2=C(C1=O)[C@H](c1ccc3c(c1)OCO3)c1cn(C)c3cccc(c13)N2 604404797 LFOHTKGNFCTYLX-HXUWFJFHSA-N 401.422 3.107 0 40 HGAB biogenic CC(=O)N1CCCCCCCN(C(C)C)Cc2cc(C(=O)N[C@@H](C)C(=O)O)ccc21 643577241 TZCJMPGBTSLGOD-KRWDZBQOSA-N 417.550 3.417 0 40 HGAB CCc1ccc(C2CCN(C(=O)c3ccc(C[C@H]4CC(=O)NC4=O)cc3)CC2)cc1 1642093987 GMZBFVNUXBPZEW-QFIPXVFZSA-N 404.510 3.474 0 40 HGAB CN1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(S(=O)(=O)Nc2ccccc2)ccc1Cl 1642524392 VXWMEAXCGBMIKL-IYBDPMFKSA-N 419.934 3.059 0 40 HGAB COCc1nsc(N2CCC(CN(C)c3cc(C(F)(F)F)ccn3)CC2)n1 1888914261 OTTSQDIKUFQBAG-UHFFFAOYSA-N 401.458 3.451 0 40 HGAB O=C(c1cc(-c2ccccc2)on1)N1CCC(COc2ccc3nccn3n2)CC1 1888930428 JGAJCGUUWMPJNY-UHFFFAOYSA-N 403.442 3.316 0 40 HGAB CCCOC(C)(C)OCCNC(=O)COC(=O)[C@H](C)c1ccc2cc(O)ccc2c1 2060999808 QWVDNMHPSAKEKN-MRXNPFEDSA-N 417.502 3.488 0 40 HGAB O=C(CSc1nc2ccccc2n1S(=O)(=O)c1ccccc1)N1CCCCC1 645154 OCUODGXUXGKDLA-UHFFFAOYSA-N 415.540 3.378 0 40 HGAB COc1ccc2cc([C@H](c3nnnn3C3CCCC3)N3CCC(C)CC3)c(=O)[nH]c2c1 1224822 YAQLXHRVFYFQEH-OAQYLSRUSA-N 422.533 3.460 0 40 HGAB COc1ccc2[nH]c3c(c2c1)CCN1C(=O)N(c2ccc4c(c2)OCCO4)C(=O)[C@@]31C 2112387 QNPIUAYYALMFSJ-HSZRJFAPSA-N 419.437 3.188 0 40 HGAB biogenic CN(C)c1ccc(NC(=O)COC(=O)c2ccccc2NC(=O)c2ccco2)cc1 3271998 RRGBUUAKKIQEQE-UHFFFAOYSA-N 407.426 3.393 0 40 HGAB C[C@H]1C[C@H](C)CN(C(=O)COC(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)C1 3294018 IOKGEGDVFAMGFC-HOTGVXAUSA-N 420.465 3.149 0 40 HGAB CCOCc1c(C(=O)OCC(=O)NCc2ccc3c(c2)OCO3)oc2ccccc12 3543502 PPBZKXMOCUGSMF-UHFFFAOYSA-N 411.410 3.171 0 40 HGAB Cc1cc2cc(CN(CCO)C(=S)NCCc3ccccc3)c(=O)[nH]c2cc1C 4132955 YBMNZMGFKPEOAW-UHFFFAOYSA-N 409.555 3.056 0 40 HGAB COc1ccccc1-c1nnc(SCC(=O)N2CCN(c3ccccc3)CC2)o1 4231493 WBFYVGQNZNCFNU-UHFFFAOYSA-N 410.499 3.186 0 40 HGAB CCOC(=O)C1=C(C)Nc2nc(SCC(C)C)[nH]c(=O)c2[C@@H]1c1ccncc1 4292283 LUYHKBBUZIPCGD-OAHLLOKOSA-N 400.504 3.308 0 40 HGAB COC(=O)c1c(NC(=O)CCS(=O)(=O)c2ccccc2)sc2c1CC[C@@H](C)C2 4325560 VMIFNIPMDANCRV-CYBMUJFWSA-N 421.540 3.462 0 40 HGAB CC1(C)O[C@@H]2O[C@@H](C(=O)Nc3ccccc3C(F)(F)F)[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O1 4393241 GSQCRPFGOPNVJK-SGPHBRAGSA-N 417.380 3.040 0 40 HGAB CC(=O)C1=NN(c2cccc(Cl)c2)[C@@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@H]12 4812493 DQHHZDFTNOCULU-WBVHZDCISA-N 402.237 3.317 0 40 HGAB CCc1cc2cc3c(cc2nc1SCC(=O)Nc1nnc(C)s1)OCCO3 4849593 CMRQKQRNIMFKMI-UHFFFAOYSA-N 402.501 3.459 0 40 HGAB CCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)CCN1CCC[C@@H](C)C1 5055130 JRQSZHXFPGPARL-CQSZACIVSA-N 417.506 3.422 0 40 HGAB C[C@@H](NC(=O)CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O)c1cc2ccccc2o1 7185704 GGMNNVJJXIAPAZ-MYYSRTQBSA-N 417.465 3.394 0 40 HGAB O=C(N[C@@H]1CCOc2ccccc21)c1ccc(Cl)c(S(=O)(=O)NC2CC2)c1 7312730 SKJGTSWZOHENNT-MRXNPFEDSA-N 406.891 3.034 0 40 HGAB CC1CCN(CC(=O)N(C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 8318171 VZIDAJZSNRBVIP-UHFFFAOYSA-N 405.848 3.488 0 40 HGAB COc1cccc(-c2nnn(CCS(=O)(=O)c3cc(Cl)ccc3Cl)n2)c1 9050141 HYRGGYMIFQLUKG-UHFFFAOYSA-N 413.286 3.129 0 40 HGAB O=C(Nc1ccc2c(c1)OCO2)[C@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1 9698514 DTYUPIXWTDYEFS-LJQANCHMSA-N 424.478 3.360 0 40 HGAB NS(=O)(=O)c1ccc(OCCSc2nnc(-c3cccs3)n2C2CC2)cc1 9712616 FYHXTDPTNVRYEC-UHFFFAOYSA-N 422.557 3.160 0 40 HGAB CCc1ccc(S(=O)(=O)N[C@H](c2cc(OC)cc(OC)c2)c2nccn2C)cc1 10748645 BDNBIPWUKILSBF-HXUWFJFHSA-N 415.515 3.068 0 40 HGAB COc1cccc(OC)c1CNCc1cc2c(C)nn(-c3ccc(F)cc3)c2[nH]c1=O 12186877 ULAKHPIKWSNMCC-UHFFFAOYSA-N 422.460 3.468 0 40 HGAB CC(C)CC(=O)N1C[C@H]2CCCN(S(=O)(=O)c3ccc4ccccc4c3)[C@H]2C1 12188186 ZHAWQBZMZIGNIX-CTNGQTDRSA-N 400.544 3.497 0 40 HGAB COC(=O)c1ccc(NC(=O)Cn2cc(OCc3ccc(F)cc3)c(=O)cc2C)cc1 12230546 ZSFACYFHMPATQL-UHFFFAOYSA-N 424.428 3.300 0 40 HGAB CCc1cc(C(F)(F)F)n2nc([C@H]3CCCCN3C(=O)c3nonc3C)cc2n1 12276466 BIOMKXMOOCGFFK-CYBMUJFWSA-N 408.384 3.369 0 40 HGAB O=C(CN1C(=O)c2ccccc2C1=O)Nc1c(-c2ccc(F)cc2)nc2sccn12 12520578 SHAYNSDCWNGPNO-UHFFFAOYSA-N 420.425 3.437 0 40 HGAB Cc1cc(F)ccc1S(=O)(=O)Nc1ccccc1C(=O)NCCc1ccccn1 12521185 JAPAHSODUDVSOC-UHFFFAOYSA-N 413.474 3.302 0 40 HGAB Cn1ccnc1SCC(=O)Nc1ccc(C(=O)NCCc2cccs2)cc1 12530415 KSZXXVUOSFIYBZ-UHFFFAOYSA-N 400.529 3.185 0 40 HGAB COc1ccc(OCC(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2Cl)cc1 12562198 ZHGXSDTZSMKUJO-UHFFFAOYSA-N 424.906 3.151 0 40 HGAB O=C(Nc1ccnn1C1CCCC1)C1CCN(S(=O)(=O)c2cccs2)CC1 12760635 WMJFPJNSQQQXPH-UHFFFAOYSA-N 408.549 3.099 0 40 HGAB O=S(=O)(c1cc(NCc2c(F)cccc2Cl)ccc1F)N1CCOCC1 12801819 UYJYKNFGIDEOFJ-UHFFFAOYSA-N 402.850 3.251 0 40 HGAB CC(=O)N1c2ccc(S(=O)(=O)N[C@@H]3CCSc4ccccc43)cc2C[C@@H]1C 12969888 PWDGKTWEYSQSPA-SCLBCKFNSA-N 402.541 3.500 0 40 HGAB CCC[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)Nc1ccc(OC)c(OC)c1 12982730 IYBFTHLONNIFBQ-KRWDZBQOSA-N 403.454 3.450 0 40 HGAB CC(C)C(=O)Nc1ccc(S(=O)(=O)NCCc2ccc3c(c2)CCCN3C)cc1 13008735 YSSCYTWVOPSEMK-UHFFFAOYSA-N 415.559 3.185 0 40 HGAB Cc1ccccc1S(=O)(=O)Nc1nc2ccccc2nc1N1C[C@H](C)O[C@H](C)C1 13281311 ZFTZZSJQPNXAFX-IYBDPMFKSA-N 412.515 3.353 0 40 HGAB Cc1cccc(NC(=O)CNC(=O)[C@@H](C)NC(=O)Cc2cccc3ccccc23)c1C 14227947 KJOHNYRGWLFZMX-GOSISDBHSA-N 417.509 3.259 0 40 HGAB CN(CC(=O)NCc1ccco1)CC(=O)Nc1nc(-c2c[nH]c3ccccc23)cs1 14713038 FKDNTDIUXKPTGW-UHFFFAOYSA-N 423.498 3.071 0 40 HGAB COc1ccc(-n2ccn(CC(=O)Nc3cccc(Br)c3)c2=O)cc1 15862420 BXVVRBVNJVJAJT-UHFFFAOYSA-N 402.248 3.049 0 40 HGAB COC(=O)C[C@@H](NC(=O)C[C@@H](NC(C)=O)c1ccc(Cl)cc1)c1ccccc1 16139493 ZFFAAMIAKSJHPY-RTBURBONSA-N 402.878 3.328 0 40 HGAB COc1ccc([C@@H](CNC(=O)c2cc(OC)c(OC)c(OC)c2)N2CCCC2)cc1 17911522 KQLPXAYMEXBHPU-LJQANCHMSA-N 414.502 3.288 0 40 HGAB biogenic Cc1cc(=O)c(C(=O)N(C)Cc2ccc3c(c2)OCO3)nn1-c1ccc(Cl)cc1 18156519 YZOLELICBXUXRH-UHFFFAOYSA-N 411.845 3.195 0 40 HGAB COc1ccccc1NC(=O)C[C@@H]1SC(c2cc3ccccc3oc2=O)=NC1=O 18992306 PNARMMBDSMVJAS-KRWDZBQOSA-N 408.435 3.219 0 40 HGAB Cc1nc(C[C@H](NC(=O)c2cc(C(C)(C)C)n[nH]2)c2ccc(Cl)cc2)cc(=O)[nH]1 19285314 MMQZAESOZGLDDX-INIZCTEOSA-N 413.909 3.466 0 40 HGAB O=C(Cc1ccccc1F)N[C@@H](Cc1cc(=O)[nH]c(N2CCCC2)n1)c1ccccc1 19369362 ZHFYEEJBNQNCOC-NRFANRHFSA-N 420.488 3.152 0 40 HGAB CNC(=O)[C@]1(Cc2cccc(-c3ccncc3)c2)CN(C(=O)C2CCCCC2)CCO1 19591799 TZIVMDIPLWJVSI-VWLOTQADSA-N 421.541 3.215 0 40 HGAB Nc1ccc(-c2ccc(C3CCN(C(=O)COC[C@@H]4CCCCO4)CC3)nc2)cn1 19687993 OCAULVVCRJVCFQ-FQEVSTJZSA-N 410.518 3.018 0 40 HGAB CNC(=O)c1ccc(-c2ccc(CNC(=O)CCN3CCCC[C@H]3C)cc2)nc1C 19700570 XPNNHKXBIBMHFG-QGZVFWFLSA-N 408.546 3.297 0 40 HGAB Cc1nc2ccc(Cl)cc2cc1C(=O)NCc1ccc(S(=O)(=O)N(C)C)cc1 19718684 XSBNTQKGFDVBEC-UHFFFAOYSA-N 417.918 3.377 0 40 HGAB Cc1nc([C@@H]2CCCCN2Cc2cnn(C)c2C)nc2c1CCC(=O)N2CC(C)C 19740842 OQSAWCXMRYQWFT-FQEVSTJZSA-N 410.566 3.489 0 40 HGAB Cc1cc(C)c(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NC(C)(C)C)c(C)c1 19931270 PTQBTFHPRJBDHF-LJQANCHMSA-N 402.560 3.416 0 40 HGAB CS(=O)(=O)N(CC(=O)NCc1ccc(Cl)cc1Cl)c1ccc(F)cc1 20237290 MUQACYJIIVNYAL-UHFFFAOYSA-N 405.278 3.215 0 40 HGAB Cc1cn2c(=O)cc(CSc3nnc(NC(=O)c4ccco4)s3)nc2s1 20984367 PIJRLDKMHNRKQS-UHFFFAOYSA-N 405.486 3.054 0 40 HGAB CCN1CCN([C@H](c2cccs2)[C@@H](C)NS(=O)(=O)c2ccc(C)cc2)CC1 22460430 MWEJUUKVXXTAEO-XLIONFOSSA-N 407.605 3.102 0 40 HGAB C[C@]1(C2CC2)NC(=O)N(CC(=O)Nc2ncc(Cc3ccc(Cl)cc3)s2)C1=O 23268932 HUESYIMGQMWLQF-LJQANCHMSA-N 418.906 3.046 0 40 HGAB O=C(Nc1cccc2c1CCCC2)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 24926674 PTNFQZZVDDWLCV-GOSISDBHSA-N 414.527 3.275 0 40 HGAB O=C(CCN1CCN(C(=O)c2ccco2)CC1)N[C@H](c1ccccc1)c1cccs1 30146646 ZXOLYKXPBXQISI-JOCHJYFZSA-N 423.538 3.395 0 40 HGAB CC(C)(C)c1ccc(NS(=O)(=O)c2ccc(N3C[C@@H](C(=O)O)CC3=O)cc2)cc1 32081200 WSBGHVJCVDZJLE-AWEZNQCLSA-N 416.499 3.222 0 40 HGAB Cc1c([C@H](C)NC(=O)[C@@H](C)NC(=O)c2cccs2)cnn1-c1ccc(F)cc1 32818208 LQKFJPJUWSMJEP-QWHCGFSZSA-N 400.479 3.377 0 40 HGAB O=C(c1ccc(O)cc1)C1CCN(C(=O)Cc2ccc(N3CCCC3=O)cc2)CC1 32898943 YUTNUNAXXWQPDS-UHFFFAOYSA-N 406.482 3.183 0 40 HGAB CCOC(=O)c1ccc(NC(=O)N2CCC(C(=O)Nc3ccccc3O)CC2)cc1 32905349 ZAXYLNWGAMXHAO-UHFFFAOYSA-N 411.458 3.452 0 40 HGAB COc1ccccc1-c1nc(Cn2nnc(C(=O)Nc3ccc(C)cc3)c2N)c(C)o1 33291678 FPGRKVRGKKASLU-UHFFFAOYSA-N 418.457 3.441 0 40 HGAB COC(=O)CCNC(=O)[C@@H]1c2ccccc2C(=O)N(c2ccccc2)C12CCCC2 36357537 HAFXBBAOUHVJMK-NRFANRHFSA-N 406.482 3.423 0 40 HGAB CCCc1nnc(S)n1CC(=O)NCc1ccc(OCCC(C)C)c(OC)c1 36391488 RNCRLCNEWDXEBM-UHFFFAOYSA-N 406.552 3.269 0 40 HGAB CCCCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(N2CCCC2=O)cc1 38755254 NWXGLKYISHMSHH-UHFFFAOYSA-N 415.515 3.144 0 40 HGAB CCc1nc2nc3ccn(CCCN(C)C)c(=O)c3c(-c3ccc(Cl)cc3)n2n1 38828901 GARDURNCUMJVRT-UHFFFAOYSA-N 410.909 3.274 0 40 HGAB CCN(CC(=O)Nc1ccc(OC)c(Cl)c1)S(=O)(=O)c1ccc(OC)cc1 39985394 FWHHQVYQVLHDSH-UHFFFAOYSA-N 412.895 3.007 0 40 HGAB COc1cccc(C(=O)NC2CCN(C(=O)[C@H]3Cc4ccc(C)cc4S3)CC2)c1 40090964 YFGOTWJKUMFJTP-OAQYLSRUSA-N 410.539 3.441 0 40 HGAB C[C@]12CCC(=O)N1[C@H](C(=O)NCCc1ccc(OCc3ccccc3)cc1)CS2 40122123 LDWGHQDDFVINDN-REWPJTCUSA-N 410.539 3.378 0 40 HGAB O=C(O)CCCn1c(/C=C/c2csc(-c3ncccn3)n2)nc2ccccc2c1=O 40154562 YNSFKMBQHJGFNA-CMDGGOBGSA-N 419.466 3.345 0 40 HGAB CC[C@H](C(=O)N[C@H](C)c1ccc(OC)cc1)N(c1ccc(C)cc1)S(C)(=O)=O 44903186 BTCRWSOZQVGYML-OXQOHEQNSA-N 404.532 3.426 0 40 HGAB COc1cccc(CNC(=O)Cn2c3ccc(F)cc3c(=O)n2C(C)(C)C)c1OC 49007334 FGGAGICIMQQKDY-UHFFFAOYSA-N 415.465 3.031 0 40 HGAB COc1ccc(Oc2ncccc2NC(=O)NCc2cccnc2-n2cncn2)cc1 58105709 INRCNKSVVDGQRN-UHFFFAOYSA-N 417.429 3.180 0 40 HGAB Cc1c[nH]c(=O)n1-c1ccccc1NC(=O)NC1CCN(Cc2ccccc2)CC1 58323070 GTBJOOPAJSKQKM-UHFFFAOYSA-N 405.502 3.260 0 40 HGAB O=C(Cn1cnc2nc(N3CCCCC3)sc2c1=O)Nc1ccc(Cl)cc1F 67317011 GQKSYMBIQKSQJG-UHFFFAOYSA-N 421.885 3.275 0 40 HGAB COc1cc(C)c2[nH]c3c(c(=O)c2c1)CN(CC(=O)Nc1ccc(F)c(C)c1)CC3 67349991 LCXGKJYEGXTLPS-UHFFFAOYSA-N 409.461 3.289 0 40 HGAB Cc1oc(C)c(C(=O)OCC(=O)Nc2cccc3nsnc23)c1Br 71837484 ULDCFVOXCZQZQY-UHFFFAOYSA-N 410.249 3.459 0 40 HGAB Cc1cc(C)n(C[C@@H](C)C(=O)Nc2ccccc2[C@@H]2NC(=O)c3cccnc3N2C)n1 72347388 SZGVEVOTDPJVLF-SPLOXXLWSA-N 418.501 3.048 0 40 HGAB CCc1nc(=O)c2cc(Cl)ccc2n1C1=CCN(C(=O)Cc2ccccn2)CC1 72348317 CRZCFFIFMMMSPR-UHFFFAOYSA-N 408.889 3.323 0 40 HGAB CNC(=O)c1sc2ccccc2c1C[C@H]1CCCN1Cc1cnc(N(C)C)nc1 72370362 LTRXPEDZFLBFLH-MRXNPFEDSA-N 409.559 3.324 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccnc(Nc3ccccn3)n2)cc1 72377733 BEPYKAHPGACXKG-SFHVURJKSA-N 411.487 3.150 0 40 HGAB O=C(CNC(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1)Nc1ccccc1O 72401957 QICBCNGYZHUGNX-UHFFFAOYSA-N 423.300 3.169 0 40 HGAB CCOC(=O)c1c(N2CCN(C[C@H]3CCCCN3C)CC2)nc2ccccc2c1C 79014898 SYYHPRKTSXKEAU-LJQANCHMSA-N 410.562 3.326 0 40 HGAB COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cccc(Nc3cnn(C)c3)c2)c1 79105817 GNWIEALKMGYVBJ-UHFFFAOYSA-N 420.878 3.405 0 40 HGAB COC(=O)C1CCN(C(=O)Cn2cc(Br)c(-c3ccc(C)cc3)n2)CC1 79110487 YYGDXMZLQOWRFG-UHFFFAOYSA-N 420.307 3.033 0 40 HGAB COc1cc(CNc2ccc(Br)cn2)ccc1OCC(=O)N1CCCC1 95431122 DOMWWHKSLRLIHS-UHFFFAOYSA-N 420.307 3.466 0 40 HGAB Cc1cc(C)n(C)c(=O)c1C(=O)Nc1ccc2c(c1)C(=O)Nc1cccnc1S2 96231966 PWANZEGGRLUTQI-UHFFFAOYSA-N 406.467 3.366 0 40 HGAB CCCC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1[C@H](C(=O)O)C[C@@H]2CCC[C@@H]21 98087294 UJRWOTKNFKYDQM-MQBSTWLZSA-N 414.546 3.189 0 40 HGAB CC(C)Oc1ccc(CNC(=O)c2ccc(CS(=O)(=O)N3CCCC3)cc2)cc1 113958297 HCWHJOQLOYHNIS-UHFFFAOYSA-N 416.543 3.329 0 40 HGAB CCOC(=O)c1ccc(NS(=O)(=O)c2cc3oc(=O)n(CC)c3cc2Cl)cc1 223365224 OJBUOJIPNISLIE-UHFFFAOYSA-N 424.862 3.245 0 40 HGAB CC[C@@H](C)NC(=O)c1cc(OC)c(OC)cc1N(C)S(=O)(=O)c1ccc(C)cc1 223391433 WMCGLXLQIFSLIT-OAHLLOKOSA-N 420.531 3.366 0 40 HGAB CN(c1ccc(C(=O)NCCOc2ccc(C(C)(C)C)cc2)cc1)S(C)(=O)=O 223861894 GKVWNECDJGENPO-UHFFFAOYSA-N 404.532 3.189 0 40 HGAB CCOC(=O)CN(c1ccc(F)cc1F)S(=O)(=O)c1ccc(SC)cc1 224987442 IALMQNNPVHKIBN-UHFFFAOYSA-N 401.456 3.445 0 40 HGAB COC(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc2ccccc2c1 225050863 SGWZTNNHJGSOOK-UHFFFAOYSA-N 415.467 3.225 0 40 HGAB COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NCCOc2ccc(F)cc2)cc1 225193268 MJFAHNQLDKEPRG-QNGOZBTKSA-N 424.428 3.393 0 40 HGAB COc1cccc(-c2noc(CNC(=S)Nc3cccc(N4CCCC4=O)c3)n2)c1 225823045 SJERMHYPYHDOPS-UHFFFAOYSA-N 423.498 3.359 0 40 HGAB C[C@@H]1CCCN(c2cc(Sc3ncccn3)nc(NC(=S)NC3CC3)n2)C1 226003774 OICSXCOWMBBCGD-GFCCVEGCSA-N 401.565 3.103 0 40 HGAB Cn1nc([C@H]2CC[C@H](CNC(=O)Cc3ccc4c(c3)OCO4)CC2)c2cccnc21 257252254 JUDFPLRSWUQMHK-JCNLHEQBSA-N 406.486 3.330 0 40 HGAB COCCNC(=S)Nc1nc(N2CCC[C@@H](C)C2)cc(N2CCCC[C@H]2C)n1 260732777 BECRUTLAZCUWHT-HZPDHXFCSA-N 406.600 3.025 0 40 HGAB CCN(CC)C(=O)C(=O)c1cn(CC(=O)NCc2ccc(F)cc2)c2ccccc12 408568730 ILQLVQFXDBUWRK-UHFFFAOYSA-N 409.461 3.148 0 40 HGAB COc1cc(C(=O)N2CCC[C@@H](N3CCc4ccccc4C3)C2)cc(OC)c1OC 408613128 XNLLIYMBBDXPEM-HXUWFJFHSA-N 410.514 3.375 0 40 HGAB COc1ccc(Cl)cc1NC(=O)COC(=O)[C@@H]1CC(=O)N(C2CCCCC2)C1 408664431 ZPXVPWUVKWHLRY-CYBMUJFWSA-N 408.882 3.012 0 40 HGAB C[C@@H](CNC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccco1)c1ccccc1 408707828 FMTAPDKLVVGNRP-INIZCTEOSA-N 405.454 3.068 0 40 HGAB O=C(/C=C/c1ccc(CNS(=O)(=O)c2ccccc2)o1)NCCc1ccccc1 409172700 GJUOREAUZDOJME-BUHFOSPRSA-N 410.495 3.130 0 40 HGAB CN1C(=O)c2ccc(-c3cccnc3)cc2O[C@H]2CN(C(=O)NC3CCCCC3)C[C@H]21 514289776 OKTAYQDSZYWGEJ-IRLDBZIGSA-N 420.513 3.308 0 40 HGAB biogenic,in-vitro O=C(c1cncs1)N1CCC[C@H](c2cncc(-c3noc(C(F)(F)F)n3)n2)C1 585290940 YIQOEQUBFZTJHL-VIFPVBQESA-N 410.381 3.022 0 40 HGAB CCn1c(SCC(=O)Nc2ccc(-c3nn[nH]n3)cc2)nnc1-c1ccccc1C 641980853 DXIKSOANVHEEMI-UHFFFAOYSA-N 420.502 3.184 0 40 HGAB O=C1CC2(CCN(Cc3cnn(-c4ccc(F)cc4)c3)CC2)Nc2ccccc2CN1 2037980877 LCPHOBOJILCGRS-UHFFFAOYSA-N 419.504 3.478 0 40 HGAB CC(C)n1nccc1CN1CCC[C@@]2(CC1)CN(c1ccc(F)cc1)C(=O)CO2 2037988793 INLWZCZUPXUGKE-JOCHJYFZSA-N 400.498 3.391 0 40 HGAB O=C([C@@H]1C[C@H]1c1ccc(Cl)cc1)N1CC[C@H]2C[C@@H](CN3CCCOCC3)O[C@H]2C1 2056225572 RIYZQJUCHZKZHK-YOESJJQFSA-N 418.965 3.172 0 40 HGAB COC(=O)c1cccc(NC(=O)CSc2nnc(Cc3ccc(OC)cc3)o2)c1 633790 QRYSMABMTUJVIO-UHFFFAOYSA-N 413.455 3.186 0 40 HGAB COc1ccc([C@H]2C[C@H](c3ccc(F)cc3)n3nc(N4C(=O)CCC4=O)nc3N2)cc1 2427300 YYELQKKSGFZIGL-QZTJIDSGSA-N 421.432 3.226 0 40 HGAB COCCOC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1ccc(OCc2ccccc2)cc1 2683816 KIDPTMONCTWESL-NRFANRHFSA-N 410.470 3.425 0 40 HGAB NC(=O)c1c(NC(=O)COC(=O)c2ccc(F)cc2Cl)sc2c1CCCC2 3294268 CUTPXNWWCUOAIN-UHFFFAOYSA-N 410.854 3.314 0 40 HGAB CC(C)(C)C(=O)COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 3322029 FKYOWZVYOALHFN-UHFFFAOYSA-N 401.912 3.287 0 40 HGAB Cc1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccccc3Br)C2=O)cc1 3345496 KRTYWCQMUCAKMQ-IBGZPJMESA-N 416.275 3.163 0 40 HGAB O=C(COC(=O)c1cc2ccccc2oc1=O)Nc1ccccc1Br 3353765 CFKICJYBXMPPFL-UHFFFAOYSA-N 402.200 3.351 0 40 HGAB COc1cc(C(=O)O[C@H](C)C(=O)Nc2ccc3c(c2)OCCO3)ccc1OC(F)F 3489717 VNWAXQQGLZSRBL-LLVKDONJSA-N 423.368 3.252 0 40 HGAB CCOc1ccc(C(=O)Nc2c3c(nn2C(C)(C)C)C[S@@](=O)C3)cc1OCC 4105773 RWBKSWABHQPFKU-MUUNZHRXSA-N 405.520 3.450 0 40 HGAB COc1cc(C)ccc1OCc1nnc(S[C@@H](C)C(=O)Nc2nccs2)n1C 4816385 FIVVPSAONVCCEV-LBPRGKRZSA-N 419.532 3.287 0 40 HGAB CC(=O)C1=NN(c2ccc(Cl)cc2)[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]12 4863241 KJWYRZHDCVSPKG-WBVHZDCISA-N 402.237 3.317 0 40 HGAB CC(C)c1cc(=O)oc2cc(OS(=O)(=O)c3ccc4c(c3)OCCO4)ccc12 5120139 SXKUDPWTKABPQU-UHFFFAOYSA-N 402.424 3.455 0 40 HGAB Cc1cccc(OCc2nnc(SCC(=O)c3ccc4c(c3)NC(=O)CO4)o2)c1 5294890 UPJUYHRCJRCJBE-UHFFFAOYSA-N 411.439 3.263 0 40 HGAB CSc1ccc([C@@H]2c3c(C)nn(C)c3NC(=O)[C@H]2NC(=O)c2ccccc2)cc1 6779664 YDYZTHNKSSMTIA-MOPGFXCFSA-N 406.511 3.333 0 40 HGAB CCN(Cc1ccc2c(c1)OCCO2)C(=O)C1=NN(c2cccc(C)c2)C(=O)CC1 6882273 UHJUTFCLXRVLCM-UHFFFAOYSA-N 407.470 3.298 0 40 HGAB CC[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(OC)cc1 7037336 IOGTYGUKCNFENS-FQEVSTJZSA-N 402.516 3.361 0 40 HGAB Cc1cc(S(=O)(=O)Nc2ccccc2)ccc1OCC(=O)NCc1ccco1 7361691 FWWNXJDEUYNAQF-UHFFFAOYSA-N 400.456 3.084 0 40 HGAB CCOc1ccc(OCCNC(=O)[C@H](NC(=O)c2c(F)cccc2F)C(C)C)cc1 7814848 AOODWGAXKJKODZ-HXUWFJFHSA-N 420.456 3.313 0 40 HGAB COC(=O)CCn1c(S[C@@H](C)C(=O)c2ccc(F)cc2)nc2ccccc2c1=O 7938495 VGEDLGPCGWATDA-ZDUSSCGKSA-N 414.458 3.462 0 40 HGAB Cc1ccc(SCCNC(=O)[C@H](NS(=O)(=O)c2ccccc2F)C(C)C)cc1 7979687 XCSDNLUODRLAIN-LJQANCHMSA-N 424.563 3.346 0 40 HGAB CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccc3ccccc3c2)cc1 7989761 IZYSEFSJVHBDDV-AWEZNQCLSA-N 411.483 3.104 0 40 HGAB COc1ccc(C)cc1N[C@@H](C)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1C 8190109 XCDDCSGYTPSAMY-HNNXBMFYSA-N 405.520 3.001 0 40 HGAB CC[C@H](C)N(C(=O)COc1ccc(Cl)c2cccnc12)[C@@H]1CCS(=O)(=O)C1 8195916 SDDIIPMSSCHGTB-UONOGXRCSA-N 410.923 3.081 0 40 HGAB O=C(NCc1ccccc1)[C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(CC2CCCCC2)nn1 8298165 SBVDSSSFZSGRBG-JRFVFWCSSA-N 421.589 3.428 0 40 HGAB biogenic,in-vitro Nn1c(SCc2nnc(-c3ccccc3Br)o2)nnc1C(F)(F)F 8825611 NQXQLPQFRQOKRJ-UHFFFAOYSA-N 421.202 3.116 0 40 HGAB CC[C@@]1(C)NC(=O)N(CC(=O)N2CCc3sccc3[C@H]2c2cccs2)C1=O 8855726 UNYKSRODAGQPBZ-QFBILLFUSA-N 403.529 3.004 0 40 HGAB COc1cc2c(cc1OC)CN(C(=O)N[C@@H](C)C(=O)Nc1ccc(Cl)cc1)CC2 9306260 UZIDLEUFBUUSMD-ZDUSSCGKSA-N 417.893 3.452 0 40 HGAB Cn1c(=O)c2c(-c3ccccc3)n3c(c2n(C)c1=O)[C@@H](c1ccccc1Cl)OCC3 9429312 GGSPGCOGOIZUDZ-OAQYLSRUSA-N 421.884 3.479 0 40 HGAB CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)Nc1cccc(-c2nnnn2C2CC2)c1 9710059 PXTYUFOKAIMICQ-IBGZPJMESA-N 422.464 3.207 0 40 HGAB COc1ccc(NC(=O)NC(=O)COC(=O)c2ccc(COc3ccccc3)o2)cc1 10564379 JNAPBSMKMIOODN-UHFFFAOYSA-N 424.409 3.372 0 40 HGAB Cc1cccc(NC2=NN=C(c3ccc(CCNS(C)(=O)=O)s3)CS2)c1C 11115698 ZTNKEFLXTMMYRB-UHFFFAOYSA-N 422.601 3.376 0 40 HGAB O=S(=O)(NCCNc1ccc(Nc2ccccn2)nn1)c1ccc2ccccc2c1 11697432 UVPJNWDZSWUURJ-UHFFFAOYSA-N 420.498 3.159 0 40 HGAB Cc1cc(S[C@@H](C)C(=O)N[C@H]2CCS(=O)(=O)C2)nc2c(C(C)C)cccc12 12537887 RPXQNJXDFUHKBM-GJZGRUSLSA-N 406.573 3.451 0 40 HGAB O=C(CN1CSCC1=O)Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1 12757475 HCEIQKARCSEZJC-UHFFFAOYSA-N 401.435 3.224 0 40 HGAB COC(=O)c1cc(CNC(=O)c2nn(-c3ccccc3)c3c2CCC3)ccc1OC 12761361 MDHODVWYYBEPPF-UHFFFAOYSA-N 405.454 3.086 0 40 HGAB O=C(NCCc1ccc(C(F)(F)F)cc1)c1ccc2c(=O)n3c(nc2c1)CCC3 12778882 AKTMQLVZYWEKLJ-UHFFFAOYSA-N 401.388 3.334 0 40 HGAB O=C(Nc1cccc(S(=O)(=O)NC2CC2)c1)c1cc(F)ccc1Br 12788029 PWRPTJRMFXEITE-UHFFFAOYSA-N 413.268 3.281 0 40 HGAB O=C(CNC(=O)C12CC3CC(CC(C3)C1)C2)N1CCC[C@H]1c1ccc2c(c1)OCCO2 12791035 XJXWLBPRDOKNNA-YZOPDKEQSA-N 424.541 3.454 0 40 HGAB CC[C@H](C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1)c1ccccc1 12889165 KAJCEAUZKGHADL-IBGZPJMESA-N 402.516 3.148 0 40 HGAB COc1ccc(-c2nnc(SCc3nc(-c4cccs4)no3)n2N)c(OC)c1 12903430 VEKFYUWPOPNRJY-UHFFFAOYSA-N 416.488 3.080 0 40 HGAB CCOc1ccc(NC(=O)CSC2=N[C@H](c3c[nH]c4ccccc34)NC(N)=N2)cc1 13579119 IFLXZSNBAOHORU-LJQANCHMSA-N 422.514 3.211 0 40 HGAB COc1ccc(Cl)cc1NC(=O)c1nn([C@H]2CCS(=O)(=O)C2)c2c1CCCC2 13692883 MAJWSLAPXUBCIO-ZDUSSCGKSA-N 423.922 3.036 0 40 HGAB O=S1(=O)c2ccccc2[C@H](O)[C@@H](Cc2cccnc2)N1CCCc1ccccc1 13693513 WDIRFMQKHHEAPU-GGAORHGYSA-N 408.523 3.363 0 40 HGAB Cc1nc(-c2ccc(CNC(=O)[C@H](C)N3C(=O)c4ccccc4C3=O)s2)cs1 14186107 QEODOCBJLZQCAX-NSHDSACASA-N 411.508 3.481 0 40 HGAB O=C(c1ccccc1)N1CCN(S(=O)(=O)c2cc(Cl)sc2Cl)CC1 14228826 PUSXSJXRGYZNAQ-UHFFFAOYSA-N 405.328 3.202 0 40 HGAB C[C@H](Oc1ccc2ccccc2c1)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 15335198 PNPNTXZORRJMRC-SFHVURJKSA-N 424.522 3.140 0 40 HGAB CC(C)Oc1ccccc1NC(=O)c1ccc(N2C(=O)[C@@H](C)CS2(=O)=O)cc1 15842960 TVBRUZGFJOVHFV-AWEZNQCLSA-N 402.472 3.039 0 40 HGAB CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)[C@@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C(=O)O 17090275 CULPHZBOVMVYRW-ABFRBSLYSA-N 415.467 3.409 0 40 HGAB Cc1ccc([C@@H](CNC(=O)C23C[C@@H]4C[C@H](C2)CC(n2cncn2)(C4)C3)N(C)C)cc1 19136431 WWSHJNGYLJNVMF-YOTRHBAISA-N 407.562 3.301 0 40 HGAB Cc1ccc(S(=O)(=O)Cc2csc(NC(=O)[C@H](C)n3cc(Cl)cn3)n2)cc1 19211112 JUMBMUMQURSQNT-LBPRGKRZSA-N 424.935 3.475 0 40 HGAB COc1nn(CC(=O)Nc2ccc(-c3csc(C)n3)cc2)c(=O)c2ccccc12 19285626 AZULASCAOPCEQZ-UHFFFAOYSA-N 406.467 3.476 0 40 HGAB CCNC(=O)[C@@]1(Cc2cccc(-c3cccnc3)c2)CCN(CC2=CCCOC2)C1 19529114 HMPNWFYTTLDEKO-RUZDIDTESA-N 405.542 3.466 0 40 HGAB CNC(=O)[C@]1(Cc2cc(-c3ccccc3)no2)CCN(C(=O)c2cccc(OC)c2)C1 19703482 RCVHJBJGTARDHR-DEOSSOPVSA-N 419.481 3.171 0 40 HGAB COc1ccc2c(c1)c(C[C@H](C)NC(=O)c1cc(C(C)C)c3nncn3n1)cn2C 19715464 CBBHDZKLXUZAMS-AWEZNQCLSA-N 406.490 3.109 0 40 HGAB COc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3csnn3)CC2)c1 19746983 YGHZZYGBUCNLRH-IBGZPJMESA-N 414.531 3.094 0 40 HGAB CNC(=O)c1cc([C@@H]2CCN(C(=O)Cc3cc(C)ccc3OC)C2)nc2ccccc12 19761540 TXWXIVJJTHBQGY-QGZVFWFLSA-N 417.509 3.470 0 40 HGAB Cc1cccc(CS(=O)(=O)N2CCC(C(=O)Nc3c(F)cccc3F)CC2)c1 19867789 DWSFFZDGJCKPBI-UHFFFAOYSA-N 408.470 3.454 0 40 HGAB C[C@@H](c1nnc(-c2ccc(F)cc2)o1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 22925521 OGXJGNORINUHFE-HNNXBMFYSA-N 410.449 3.483 0 40 HGAB CCn1c(SCC(=O)N2CCN(CCOc3ccccc3)CC2)nc2ccccc21 23055400 BZIBWUMWQOVFPJ-UHFFFAOYSA-N 424.570 3.372 0 40 HGAB COc1ccc(CN2CCN(C(=O)CCc3nc(-c4ccc(F)cc4)no3)CC2)cc1 24119184 HCVMDLZEKDWHTG-UHFFFAOYSA-N 424.476 3.161 0 40 HGAB O=C(OCCN1C(=O)c2ccccc2C1=O)c1cnn(Cc2ccccc2Cl)c1 26239893 ZYBTYODYUASRDK-UHFFFAOYSA-N 409.829 3.038 0 40 HGAB COc1cccc(C(=O)NCCNC(=O)NCCCCOc2ccc(Cl)cc2)c1 29725127 XFVXTHGLMYFMMU-UHFFFAOYSA-N 419.909 3.237 0 40 HGAB CN(CCOc1ccccc1)C(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 32795415 GVEOKHDWXLKZCU-HNNXBMFYSA-N 417.303 3.339 0 40 HGAB C[C@@H]1NC(C(=O)Nc2ccc3nc(C(C)(C)C)[nH]c3c2)=NN(c2ccccc2)C1=O 32830088 RFKLSVRVYSTBSQ-ZDUSSCGKSA-N 404.474 3.137 0 40 HGAB CS(=O)(=O)NCCc1ccc(C(=O)COc2ccc(Cl)c(Cl)c2)s1 32837561 MARTZAJRZDKTPX-UHFFFAOYSA-N 408.328 3.408 0 40 HGAB COc1cc(C(=O)NCC(=O)NC23CC4CC(CC(C4)C2)C3)ccc1OC(F)F 33018861 NXLXAJBZJWQYAV-UHFFFAOYSA-N 408.445 3.111 0 40 HGAB Cc1ccc(SCCNC(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)cc1C 40016120 MNOMSHXOCGGXMI-HNNXBMFYSA-N 407.561 3.103 0 40 HGAB O=C(c1ccc2c(c1)OCCO2)C1CCN(S(=O)(=O)c2cc(F)cc(F)c2)CC1 40030701 IQPLQIHPTSMDIM-UHFFFAOYSA-N 423.437 3.020 0 40 HGAB O=C(Cn1c(S)nnc1-c1cccs1)NC[C@@H](c1ccco1)N1CCCCC1 40040413 IWWIXGFQLWRDKJ-AWEZNQCLSA-N 417.560 3.232 0 40 HGAB CN(C)[C@H](CNC(=O)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1)C1CCCCC1 40104758 SIULCVZBHXJITK-UXHICEINSA-N 402.539 3.436 0 40 HGAB COCCOc1cc(NC(=O)[C@H]2CCCN(c3ccc(Cl)nn3)C2)ccc1OC 40133633 HSHKCZSSOJACFU-AWEZNQCLSA-N 420.897 3.019 0 40 HGAB O=C(CCC(=O)N1CCC(c2noc3cc(F)ccc23)CC1)NCc1cccnc1 41128042 YKPGEKVQDCVEIK-UHFFFAOYSA-N 410.449 3.165 0 40 HGAB Cc1cc(C)cc(N(CC(=O)NCc2ccccn2)S(=O)(=O)c2ccccc2)c1 44792051 FENWZHHWEGDCOT-UHFFFAOYSA-N 409.511 3.210 0 40 HGAB CN(Cc1ccc(Cl)cc1)C(=O)CN(c1ccccc1Cl)S(C)(=O)=O 44850336 RVDNOQDZLWVBBU-UHFFFAOYSA-N 401.315 3.418 0 40 HGAB CCOC(=O)N1CCN(C(=O)Nc2ccc(Oc3ccc(C)cc3OC)nc2)CC1 48240143 FRABMIBUXZWDBW-UHFFFAOYSA-N 414.462 3.497 0 40 HGAB C[C@H](NC(=O)c1ccccc1Cl)C(=O)NC[C@@H]1CCN(c2ccc(F)cc2)C1 57064854 GBZUHCBBOFYDEP-GJZGRUSLSA-N 403.885 3.240 0 40 HGAB CCCn1c(=O)c2sccc2n(CC(=O)Nc2ccc(C(F)(F)F)cc2)c1=O 57485889 VYAJRPLCSDTQFN-UHFFFAOYSA-N 411.405 3.292 0 40 HGAB NC(=O)[C@H](NC(=O)COc1ccc2ccccc2c1)c1ccc(Br)cc1 58331465 MXCYOLVBRNWXGC-LJQANCHMSA-N 413.271 3.324 0 40 HGAB O=S(=O)(NCCCN1Cc2ccccc2C1)c1ccc(Br)s1 60544977 FTNCKOSFUFOODL-UHFFFAOYSA-N 401.351 3.195 0 40 HGAB Cc1cccc(N2CCN(c3ncc(C(=O)Nc4ccccc4)c(N)n3)CC2)c1C 67336574 LEQBBHBGDBEPCG-UHFFFAOYSA-N 402.502 3.255 0 40 HGAB O=C(Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2Cc2ccccc2)cc1)c1cccs1 67896421 CKPIIXDMRTVNGW-DENIHFKCSA-N 422.506 3.461 0 40 HGAB biogenic,in-vitro CCN(Cc1ccccc1)C(=O)COC(=O)c1ccccc1I 72329991 YFULVFQNLCMDES-UHFFFAOYSA-N 423.250 3.497 0 40 HGAB Cc1nn(C)cc1CN1CC[C@@H](c2c(C(=O)N3CCOCC3)sc3ccccc23)C1 72352453 OKXKARQQTPGSHX-QGZVFWFLSA-N 424.570 3.405 0 40 HGAB CCN(CCNC(=O)C(=O)Nc1c(C)c(C(C)(C)C)nn1-c1ccccc1)C1CC1 84774749 GSVUDIWXBCHNOF-UHFFFAOYSA-N 411.550 3.017 0 40 HGAB O=c1c(-c2ccc(Br)cc2)coc2c3c(ccc12)OCN(CCO)C3 94993422 VHWQGKUWQZRKNL-UHFFFAOYSA-N 402.244 3.367 0 40 HGAB COc1cc(S(=O)(=O)Nc2cccc3ccc(O)cc23)cc(C(=O)O)c1OC 95431815 IODUKZREXGDVGL-UHFFFAOYSA-N 403.412 3.062 0 40 HGAB COc1cc(OC)cc(C2=NN(C(=O)CCC(=O)O)[C@@H](c3ccccc3OC)C2)c1 95532117 KXKQNGFQNBVSEL-LJQANCHMSA-N 412.442 3.255 0 40 HGAB O=C(C[C@H]1CC2(CCN(C(=O)c3ccccn3)CC2)Oc2ccccc21)NC1CC1 96053449 DOIBJNBLCRONRK-KRWDZBQOSA-N 405.498 3.291 0 40 HGAB O=C1C[C@H](NC2CCN(Cc3ccccc3)CC2)C(=O)N1c1ccc2c(c1)CCC2 98086531 KPBPIEZHOVINQQ-QHCPKHFHSA-N 403.526 3.061 0 40 HGAB COC(=O)C1=C(C(=O)OC)[C@@H]2C[C@@H]1[C@H]1ON(c3ccccc3)[C@H](c3ccccc3)[C@H]21 103168405 NEDBHIHBGHFCBX-ZBWQPJPKSA-N 405.450 3.457 0 40 HGAB Cc1noc(-c2ccc(N3CCC[C@@H](C(=O)N[C@H](C)CCc4ccco4)C3)nc2)n1 107098374 LHWXSWBYTAJISA-CRAIPNDOSA-N 409.490 3.387 0 40 HGAB COC(=O)[C@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)CSCc1ccccc1 206796611 GSTUHQVWLAHPDT-SJLPKXTDSA-N 403.475 3.280 0 40 HGAB CN(C)C(=O)COc1ccc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)cc1 223304387 LZTGIJMXYYIOHD-UHFFFAOYSA-N 403.287 3.261 0 40 HGAB O=C(CN1CCc2ccccc2C1)N1CCCC[C@@H]1c1nnc(-c2cccnc2)o1 257221102 DNMGLDJCZSMYDV-HXUWFJFHSA-N 403.486 3.244 0 40 HGAB CC(C)(C)CC(=O)NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H](N2CCOCC2)CC1 257333097 YADLITRKJBPCNR-PQNGQFLHSA-N 402.579 3.113 0 40 HGAB COc1ccc(CNC(=O)NC[C@](O)(c2ccsc2)c2ccco2)cc1OC 390827155 FGASGEGEAOGEGE-FQEVSTJZSA-N 402.472 3.094 0 40 HGAB COc1ccc(C)cc1NS(=O)(=O)c1ccc(O[C@H](C)C(=O)NCC(C)C)cc1 408610067 UUIPMYACHFQQHL-MRXNPFEDSA-N 420.531 3.344 0 40 HGAB COc1ccccc1CNC(=O)c1ccccc1NC(=O)C(=O)NC1CCCCC1 408710057 NIIHDHFMUSYMCC-UHFFFAOYSA-N 409.486 3.013 0 40 HGAB CCOc1ccc(NC(=O)CSc2nc(O)cc(=O)n2-c2ccc(C)cc2)cc1 408900546 VZKNMDLUXVHMCC-UHFFFAOYSA-N 411.483 3.376 0 40 HGAB COC(=O)CN1C(=O)/C(=C/c2ccc(OCc3ccccc3Cl)cc2)NC1=S 409212422 PXPXBJLQROKNCX-YVLHZVERSA-N 416.886 3.150 0 40 HGAB COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2c(F)cccc2Cl)C1=O 409244419 CKJMHWGVHRCABZ-OQLLNIDSSA-N 403.797 3.019 0 40 HGAB COc1cc(/C=C2\SC(=O)N(CC(=O)N3CCC(C)CC3)C2=O)cc(Cl)c1O 409351886 BKPZGMPTTMEFKC-DHDCSXOGSA-N 424.906 3.349 0 40 HGAB COC(=O)c1ccc(OC)c(S(=O)(=O)N[C@@H](C)Cc2cc3ccccc3o2)c1 575415640 LJBMPXOTNQOMBA-ZDUSSCGKSA-N 403.456 3.138 0 40 HGAB O=C(c1cc(-c2ccc(F)cc2)c[nH]1)N1CCC(n2cnc3ncccc3c2=O)CC1 575616861 KMYDLLZYXDPKKH-UHFFFAOYSA-N 417.444 3.403 0 40 HGAB CC(C)CCN1c2cccnc2-n2cccc2[C@@]12CCN(C(=O)c1cnccn1)C2 585107050 PDUDZVVVVGJUDT-QHCPKHFHSA-N 402.502 3.270 0 40 HGAB Cc1cc(OC[C@]2(CC(=O)N(C)Cc3ccccc3)CNCCO2)ccc1Cl 585271334 FCHHHDQBYKAWPO-QFIPXVFZSA-N 402.922 3.435 0 40 HGAB CC(=O)N1Cc2ccccc2N(C(C)=O)CC[C@H]2CC[C@@H](C1)N2Cc1ccncc1 643577288 GMISSNPWMOFPPT-PKTZIBPZSA-N 406.530 3.220 0 40 HGAB NC(=O)C1(c2ccccc2)CCN(C(=O)NC[C@@H]2CCCN2C2CCCCC2)CC1 684805799 RGVYIHYLBQJOCY-NRFANRHFSA-N 412.578 3.012 0 40 HGAB O=C(Nc1ccccc1)N1CCC2(CC1)CC(=O)N(Cc1ccncc1)c1ccnn12 1772596529 PRYADIDNFKOFNJ-UHFFFAOYSA-N 416.485 3.238 0 40 HGAB CC(=O)Nc1ccc(CN2CCC[C@@H](COc3ncc(Br)cn3)C2)cc1 1776008088 XUMJFIVFFCPNAO-MRXNPFEDSA-N 419.323 3.489 0 40 HGAB CN1CCN(C(=O)Cc2ccc(F)cc2)[C@H](Cc2cccc(-c3ccncc3)c2)C1=O 1848351827 UIUVDYZKYSPMMO-HSZRJFAPSA-N 417.484 3.342 0 40 HGAB CCn1c(COc2ccc(OC)cc2)nnc1SCC(=O)Nc1nccs1 813908 LNKAMGXQPJUNFN-UHFFFAOYSA-N 405.505 3.073 0 40 HGAB COc1cc(OC)cc([C@H]2NC(=S)NC(C)=C2C(=O)OCCc2ccccc2)c1 850244 IUFDOGSLASAXIF-HXUWFJFHSA-N 412.511 3.283 0 40 HGAB CC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2c(C)cc(=O)oc2c1 2152130 UQPSFMUYCINNSE-GOSISDBHSA-N 415.467 3.072 0 40 HGAB biogenic CC(C)OC(=O)[C@H]1[C@H]2C=C[C@]3(CN([C@@H](C)c4ccc(Br)cc4)C(=O)[C@H]13)O2 2244969 FGILBJXGENIYJK-UBGXMQACSA-N 420.303 3.244 0 40 HGAB CCOCCCn1c(SCC(=O)NC2CCCCC2)nc2ccccc2c1=O 2973443 LEYCBUWJGFRAOA-UHFFFAOYSA-N 403.548 3.364 0 40 HGAB Cc1ccc(C)c(NC(=O)[C@@H](NS(=O)(=O)c2ccc3c(c2)OCCO3)C(C)C)c1 3404657 WPTLRVUQEWJHQZ-FQEVSTJZSA-N 418.515 3.016 0 40 HGAB CSCC[C@@H](NC(=O)c1ccccc1)C(=O)OCC(=O)Nc1ccc(Cl)cc1 4328637 RJFIYSQGMHMRGJ-QGZVFWFLSA-N 420.918 3.373 0 40 HGAB Cc1cccn2c(=O)nc(SCC(=O)Nc3ccc(OC(F)(F)F)cc3)nc12 4504048 RHZROLPUPOUDLD-UHFFFAOYSA-N 410.377 3.027 0 40 HGAB Cc1ccc(NC(=O)CN(C)C(=O)COC(=O)c2cc3c(s2)CCCC3)cc1 4581263 WOILGEWFSJRWEE-UHFFFAOYSA-N 400.500 3.189 0 40 HGAB CCN(CC)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 4851561 XYNNXNVPFFLPEB-UHFFFAOYSA-N 420.531 3.076 0 40 HGAB Cc1cc(OCC(=O)N(Cc2ccccc2)[C@@H]2CCS(=O)(=O)C2)ccc1Cl 5118971 GALXKLKNHFFSLM-QGZVFWFLSA-N 407.919 3.243 0 40 HGAB C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)Nc3ncnc4sccc34)cc2)C1 5299447 JVPMXXUERDFTHO-CYBMUJFWSA-N 416.528 3.364 0 40 HGAB C[C@@H](NC(=O)Cn1cnc2sc3c(c2c1=O)CCCC3)c1ccc(F)cc1F 6551901 XEWTZFUNGYXAII-LLVKDONJSA-N 403.454 3.492 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc4c(s3)CCCC4)CC2)c(C)c1 6625756 WCGBVGPTHBUCSH-UHFFFAOYSA-N 418.584 3.390 0 40 HGAB COC(=O)CNC(=O)c1ccc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1 7923286 KVFKRQXCWPYIJI-UHFFFAOYSA-N 404.850 3.039 0 40 HGAB O=C(Cc1ccc(-c2ccccc2)cc1)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 8324108 GBNAANSNPXGVDK-YADHBBJMSA-N 413.539 3.091 0 40 HGAB O=C(CSc1ccc(F)cc1)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 8380900 WKVVCQCJBYKYNG-XNTDXEJSSA-N 420.531 3.063 0 40 HGAB CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)NC1CCN(C(=O)Nc2ccccc2)CC1 10027672 LQSABYVPJRRZOJ-OAQYLSRUSA-N 422.529 3.254 0 40 HGAB Cc1cccc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(Br)cc2)c1C 10041305 IOIGGSYSDXWOLL-CYBMUJFWSA-N 411.321 3.371 0 40 HGAB O=C(Nc1nc(-c2ccc3c(c2)OCCO3)cs1)c1ccc(Cn2cncn2)cc1 10894679 WRFMDJNQDFQFJW-UHFFFAOYSA-N 419.466 3.473 0 40 HGAB CN(Cc1ccccc1N1CCCCC1)C(=O)c1cccc(S(=O)(=O)N(C)C)c1 10899217 RPJDBQSDDONKNY-UHFFFAOYSA-N 415.559 3.199 0 40 HGAB Cc1ccc(-n2nc3c(c2NC(=O)c2cc4ccccc4oc2=O)C[S@@](=O)C3)cc1 11726346 FNZFDWJXOXYCHW-PMERELPUSA-N 419.462 3.302 0 40 HGAB CCOc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCO)cc1OCC 11914277 BHOVVAYXZGJBGG-NRFANRHFSA-N 423.465 3.436 0 40 HGAB O=C(CSc1ccncc1)N1CCC(c2ccnc3nc(C(F)(F)F)nn23)CC1 12088680 DJPDKDVIZQNWME-UHFFFAOYSA-N 422.436 3.036 0 40 HGAB CCn1c(=O)n(CCC(=O)OCc2cc(=O)oc3cc(C)ccc23)c2ccccc21 12457034 MTFJSKQIAKQVCE-UHFFFAOYSA-N 406.438 3.371 0 40 HGAB O=S(=O)(Nc1cccc(-n2cnnn2)c1)c1ccc(Cl)cc1C(F)(F)F 12532538 GHQAHQBEWZTAAJ-UHFFFAOYSA-N 403.773 3.135 0 40 HGAB CNS(=O)(=O)c1cc(NS(=O)(=O)c2ccccc2-c2ccccc2)ccc1C 12544759 VOGKPDDJNOZTLA-UHFFFAOYSA-N 416.524 3.371 0 40 HGAB CC(=O)c1sc(NC(=O)Cn2cnc3sccc3c2=O)nc1-c1ccccc1 12747343 KKOXLCBGWMJJTP-UHFFFAOYSA-N 410.480 3.423 0 40 HGAB CN(Cc1ccccc1N1CCCCC1)C(=O)CN1C(=O)CCOc2ccccc21 12772252 QGLSPZSRCRPNHP-UHFFFAOYSA-N 407.514 3.451 0 40 HGAB Cc1ccc(NC(=O)COc2ccc(F)cc2F)cc1S(=O)(=O)N1CCCCC1 12813185 HECFDJARRMVECA-UHFFFAOYSA-N 424.469 3.465 0 40 HGAB CC(C)c1cccc(N2C[C@H](C(=O)Nc3cc(S(C)(=O)=O)ccc3F)CC2=O)c1 12916288 NWMVZFNZKCLRNH-OAHLLOKOSA-N 418.490 3.344 0 40 HGAB CCOC(=O)c1sc(NC(=O)C2=NN(c3cc(C)ccc3C)C(=O)CC2)nc1C 12950386 FMHTXMLMDQVFHC-UHFFFAOYSA-N 414.487 3.367 0 40 HGAB C[C@@H]1Cc2ccccc2N1C(=O)c1cccc(NC(=O)CSc2nncn2C)c1 12999055 CQUPFXDWUJSKTO-CQSZACIVSA-N 407.499 3.137 0 40 HGAB CC(=O)OC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccn3)C(=O)[C@@H]12 13214560 RNLFYMBCRTUCSB-ZKKFKWFVSA-N 410.429 3.153 0 40 HGAB Cc1cc(-c2cnn(CCNC(=O)Cn3nc(C)cc3C)c2-c2cccs2)on1 13225350 VEUJNWQVJPNBDV-UHFFFAOYSA-N 410.503 3.205 0 40 HGAB O=C(CCSc1nc(Cl)nc2nc[nH]c12)NCCc1c[nH]c2ccccc12 13570079 XFQGRSBIAAUEMI-UHFFFAOYSA-N 400.895 3.329 0 40 HGAB CC[C@@H](C)[C@H](NC(=O)N1CCn2c1nc1ccccc12)C(=O)NCc1ccccc1 13592147 HPSDOOQWEJGBAY-UZLBHIALSA-N 405.502 3.297 0 40 HGAB COc1ccccc1CNC(=O)c1ccc(C)c(S(=O)(=O)N2CCCCCC2)c1 13844637 XYISBHURUXNIEV-UHFFFAOYSA-N 416.543 3.498 0 40 HGAB Cc1cc(NC(=O)[C@H](C)OC(=O)C[C@@H]2Sc3ccc(Cl)cc3NC2=O)on1 14146083 ULWFLSAPLJDIDT-ZANVPECISA-N 409.851 3.010 0 40 HGAB COc1ccc(NC(=O)[C@H](C)OC(=O)c2ccc(Cn3cccn3)cc2)cc1OC 14150054 DBVKNTFJAXMRKF-HNNXBMFYSA-N 409.442 3.133 0 40 HGAB COc1ccc(C(=O)Nc2cccc(C(C)=O)c2)cc1S(=O)(=O)N1CCCCC1 14291830 AUJLMPNBJMUJGN-UHFFFAOYSA-N 416.499 3.325 0 40 HGAB CCCCOC(=O)c1ccc(NC(=O)CCNC(=O)C(C)(C)Br)cc1 15423103 RVFKAPAJUHOQGV-UHFFFAOYSA-N 413.312 3.262 0 40 HGAB CNS(=O)(=O)c1cccc(C(=O)N2CCc3cc(-c4csc(C)n4)ccc32)c1 16276690 RYNXXXDNOGWDRW-UHFFFAOYSA-N 413.524 3.230 0 40 HGAB Cc1ccc(C(=O)[C@@H](C)OC(=O)CCn2nc(-c3cccs3)oc2=O)cc1C 16366477 ZPVLFGIUFIBVCD-CQSZACIVSA-N 400.456 3.386 0 40 HGAB C[C@@H](NC(=O)C1CCN(C(=O)c2cccs2)CC1)c1ccc(-n2cncn2)cc1 18159355 PXHWEQSLDYRDMP-OAHLLOKOSA-N 409.515 3.058 0 40 HGAB Cn1cc(-c2ccnc(N3CCCC3)n2)c([C@@H]2CCCN2C(=O)Cc2cccs2)n1 19290225 KKMCOCLZEKTLEG-IBGZPJMESA-N 422.558 3.445 0 40 HGAB O=C(C1CC1)N1CCCc2cc([C@@H](O)CN3CCN(c4ccccc4F)CC3)ccc21 19349904 WQJZLIYRUVAUOZ-DEOSSOPVSA-N 423.532 3.371 0 40 HGAB CN(C)C(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCCN(C(=O)c2ccno2)C1 19579425 WNTOMZPGZWTELA-DEOSSOPVSA-N 418.497 3.290 0 40 HGAB Cc1ccc(CSCCNC(=O)CN(c2c(C)cccc2C)S(C)(=O)=O)cc1 20237599 BDBUMZQPXNODSH-UHFFFAOYSA-N 420.600 3.427 0 40 HGAB CC[C@@H](NC(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O)c1ccccc1 20490880 PLHCQOFNHXKWRZ-MRXNPFEDSA-N 410.923 3.382 0 40 HGAB CC[C@@H](C)[C@H](NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc(Cl)cc1)C(=O)OC 20738240 LZQXNDIRDZVDCF-PUECVXPYSA-N 404.898 3.308 0 40 HGAB C[C@@H]1CC(=O)c2c(nc(N3CCN(c4ncccn4)CC3)nc2Nc2ccccc2)C1 20801909 VZYDMFOPPHJKOE-INIZCTEOSA-N 415.501 3.102 0 40 HGAB CCn1cc(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)c(=O)c2ccccc21 22234519 XRLAAAFOJKXRPS-DHZHZOJOSA-N 401.510 3.493 0 40 HGAB COc1ccc(N(C)S(C)(=O)=O)cc1C(=O)Nc1ccccc1C(F)(F)F 22251549 JIDLJLUBOKFTGK-UHFFFAOYSA-N 402.394 3.362 0 40 HGAB Cc1ccc(Cc2nn3c(SCC(=O)Nc4ccc(C)cc4)nnc3nc2O)cc1 22720975 HPEYGHONYLBAAK-UHFFFAOYSA-N 420.498 3.163 0 40 HGAB O=C(c1c[nH]c2ccccc12)[C@H](c1ccccc1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 23882603 KACHAZHWXLYSEA-GOTSBHOMSA-N 417.509 3.415 0 40 HGAB CC1(C)Cc2cccc(OCC(=O)N3CCN(Cc4ccc5c(c4)CCO5)CC3)c2O1 24096655 LFSCCOUGZFMLBK-UHFFFAOYSA-N 422.525 3.058 0 40 HGAB CC(C)[C@H](NC(=O)c1ccccc1)C(=O)N(C)Cc1cnn(Cc2ccccc2)c1 24394766 OTWAWDCAZMJOIL-QFIPXVFZSA-N 404.514 3.344 0 40 HGAB CCOC(=O)[C@]1(c2c(C)nn(-c3ccccc3)c2N)Sc2ccccc2NC1=O 27788882 HADHPLJLKCJEGH-OAQYLSRUSA-N 408.483 3.266 0 40 HGAB COc1cc2c(cc1OC)-c1c(c(C(=O)N3CCOCC3)nn1-c1ccc(F)cc1)C2 32074095 LGCWCJYDZQADMN-UHFFFAOYSA-N 423.444 3.072 0 40 HGAB CC(C)OCCCNC(=O)c1csc(S(=O)(=O)N2CCc3ccccc3C2)c1 32868894 XKINMLUHGLVJMZ-UHFFFAOYSA-N 422.572 3.040 0 40 HGAB Cc1cc2cc(CN(C(=O)N3CCOCC3)C3CCCCC3)c3nnnn3c2cc1C 35310757 WQKVDIUFZPXIKN-UHFFFAOYSA-N 422.533 3.481 0 40 HGAB CCCCOc1ccc(NC(=O)C2CCN(c3cc(C)nc4ncnn34)CC2)cc1 35312000 NOBBDPHLJFZPHY-UHFFFAOYSA-N 408.506 3.467 0 40 HGAB CC[C@@H](CCNS(=O)(=O)c1c(C)nn(CC)c1C)n1nc(C(F)(F)F)cc1C 36614798 LZJIOGPDBHICKZ-AWEZNQCLSA-N 421.489 3.363 0 40 HGAB CC[C@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)c2ccc3c(c2)OCO3)C1=O 36772815 FAZXQSKNNQGTLD-HXUWFJFHSA-N 400.818 3.109 0 40 HGAB Cc1ccc(Cn2ccc3nc(N4CCN(c5ccccc5)CC4)ncc3c2=O)cc1 39404022 KSOTUMOEDGUEPT-UHFFFAOYSA-N 411.509 3.475 0 40 HGAB COc1ccc(-c2nc(CN3CCN(c4cc(C)nc(C(C)C)n4)CC3)no2)cc1 40066957 VXAUKXPGHJLKFX-UHFFFAOYSA-N 408.506 3.289 0 40 HGAB C[C@@H]1C[C@@H](C(N)=O)c2ccccc2N1C(=O)c1ccccc1I 40069773 MPJACOWFFIYZHX-BXUZGUMPSA-N 420.250 3.299 0 40 HGAB CS(=O)(=O)Cc1cccc(C(=O)NCc2cccnc2Oc2cccc(F)c2)c1 40094131 IPKUOIDUKZOXEZ-UHFFFAOYSA-N 414.458 3.488 0 40 HGAB O=C1C[C@@H](C(=O)N2CCCSc3ccccc32)CN1c1ccc2c(c1)OCCO2 40162101 AVAQPCCDQZBRNU-OAHLLOKOSA-N 410.495 3.340 0 40 HGAB COC(=O)c1cc(NC(=O)N2CCc3[nH]cnc3[C@H]2c2cccnc2)ccc1Cl 40286622 YCYGZBZYSCSREL-GOSISDBHSA-N 411.849 3.424 0 40 HGAB COc1ccc(Nc2nnc(SCc3cc(=O)n4nc(C)sc4n3)s2)cc1 44029644 JZUDWSYNNWGUCV-UHFFFAOYSA-N 418.529 3.355 0 40 HGAB CS(=O)(=O)N1C[C@H](C(=O)Nc2cccc(Cl)c2Cl)Oc2ccccc21 44845191 FMDLSTATELZXLY-CQSZACIVSA-N 401.271 3.159 0 40 HGAB CCN1CCN(c2ccc(CNC(=O)c3cc4cc(C)ccc4nc3C)cn2)CC1 48290347 GGXXMBRQGKAWKK-UHFFFAOYSA-N 403.530 3.319 0 40 HGAB CC[C@@]1(c2ccc(NC(=O)c3ccc(F)c(NC(C)=O)c3)cc2)CCC(=O)NC1=O 54199340 KKIPGSJVOIGNEM-QFIPXVFZSA-N 411.433 3.121 0 40 HGAB COc1ccccc1CNC(=O)Cn1c(C(F)(F)F)nc2cc3c(cc21)OCCO3 64814369 JNRGCFBJPQOBSH-UHFFFAOYSA-N 421.375 3.151 0 40 HGAB O=C(Nc1cccc(F)c1)[C@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1 64985364 OKUDITHGBFBJEX-HXUWFJFHSA-N 412.442 3.421 0 40 HGAB COc1ccc(/N=c2\oc3cc(O)ccc3cc2C(=O)NC[C@@H]2CCCO2)cc1F 67298870 SXUDRDQQVUEAFD-NOAXNCOGSA-N 412.417 3.427 0 40 HGAB CCc1ccccc1NC(=O)c1nnn(CC(=O)Nc2cc(OC)ccc2OC)c1C 71327425 KWUBQRUISZRJSB-UHFFFAOYSA-N 423.473 3.057 0 40 HGAB CNC(=O)c1sc2ccccc2c1C[C@@H]1CCCN1Cc1cnc(N(C)C)nc1 72370361 LTRXPEDZFLBFLH-INIZCTEOSA-N 409.559 3.324 0 40 HGAB O=C(NCCc1nc2ccccc2n1C(F)F)Nc1cccc(N2CCNC2=O)c1 79017853 ASDQQDJWBFHCSP-UHFFFAOYSA-N 414.416 3.325 0 40 HGAB C[C@H](C[C@@H](O)c1ccco1)NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 84637140 WOGLAICMAMLOPL-DNVCBOLYSA-N 414.483 3.322 0 40 HGAB C[C@@H](CNC(=O)c1ccc(=O)n(Cc2ccccc2)n1)c1nc2ccccc2s1 84638470 ZWNWHPSWPQRSBA-HNNXBMFYSA-N 404.495 3.435 0 40 HGAB Cc1nc(-c2cc(C(=O)N3CCC[C@@H](O)C3)c3ccccn23)cn1Cc1cccnc1 96266829 CPWSFACPBBTOPD-LJQANCHMSA-N 415.497 3.151 0 40 HGAB CCOC(=O)c1ccc(NC(=O)[C@H]2C(=O)N(C)[C@]3(C)C[C@@H]2c2ccccc2O3)cc1 100297156 JTACJWZZFAPPCS-FHJLPGHOSA-N 408.454 3.173 0 40 HGAB CCOc1ccccc1CN1[C@@H]2CC[C@@H]1CC(O)(Cn1nc(C3CC3)ccc1=O)C2 100738262 YTEFIBLZVKZJTH-WOJBJXKFSA-N 409.530 3.078 0 40 HGAB CC(=O)c1ccc(NC(=O)c2ccc(N3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2)cc1 105491647 AKZLMULJJAPRPS-IDPBPBMLSA-N 400.434 3.453 0 40 HGAB CCCNC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(OC)c(Cl)c1 107554459 KHZYFRRVIJPUJA-UHFFFAOYSA-N 402.944 3.198 0 40 HGAB COc1ccc(Cl)cc1N([C@H](C)C(=O)NCCSC(C)(C)C)S(C)(=O)=O 113941589 DEIFNWVTEXLXSM-GFCCVEGCSA-N 423.000 3.151 0 40 HGAB COc1ccc([C@@H](C)NC(=O)CCCN(c2ccccc2F)S(C)(=O)=O)cc1 113965933 HPOHSAQKJNHVNW-OAHLLOKOSA-N 408.495 3.258 0 40 HGAB CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OC(C)(C)C)C(=O)O)cc1 115259349 YIIIAFPKBOKZSW-OAHLLOKOSA-N 401.396 3.098 0 40 HGAB CN(CC(=O)NCCCc1ccc(F)cc1)S(=O)(=O)c1ccc2ccccc2c1 219702714 RLFNCWACPZBUHR-UHFFFAOYSA-N 414.502 3.348 0 40 HGAB COc1ccc(C)cc1N([C@@H](C)C(=O)NCc1ccccc1Cl)S(C)(=O)=O 220337774 LNEOGVKVLWECES-AWEZNQCLSA-N 410.923 3.128 0 40 HGAB CC[C@H](C(=O)NCCSCc1ccco1)N(c1cc(C)cc(C)c1)S(C)(=O)=O 220567858 YLTMNNQLGMPZFS-LJQANCHMSA-N 424.588 3.491 0 40 HGAB Cc1c(C(=O)NCCSCc2ccccc2F)cccc1N(C)S(C)(=O)=O 222438249 OBBMDYCQEIHJJY-UHFFFAOYSA-N 410.536 3.193 0 40 HGAB Cc1ccccc1[C@@H](C)NS(=O)(=O)c1nnc(NC(=O)c2ccccc2)s1 222728830 NREYYJDZOSETKH-CYBMUJFWSA-N 402.501 3.138 0 40 HGAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CN(C)S(=O)(=O)c1ccccc1 223652877 JTSWFZWFNIXKPT-SFHVURJKSA-N 402.516 3.034 0 40 HGAB Cc1cccc(OCCNC(=O)c2ccc(N(C)S(C)(=O)=O)cc2Cl)c1C 223960103 QQEDSWFNMKTLJS-UHFFFAOYSA-N 410.923 3.161 0 40 HGAB COc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCc3ccco3)cc2)cc1OC 223989922 HLACOQFXFORPQP-UHFFFAOYSA-N 416.455 3.028 0 40 HGAB CCOC(=O)c1cccc(NC(=S)NCc2ccc(CN3CCCC3=O)cc2)c1 225649509 HUUJRSZDNURMSB-UHFFFAOYSA-N 411.527 3.472 0 40 HGAB Cc1ncsc1C(=O)N1CCC2(CC1)CO[C@]1(C)CC[C@@H](C(C)(C)O)O[C@H]1C2 257205024 AXHSVLCWGMLAKR-TWOQFEAHSA-N 408.564 3.171 0 40 HGAB C[C@H]1Cc2cc(C(=O)N3CCC(c4cncc(Nc5ncccn5)n4)CC3)ccc2O1 257205049 AXKGXSWJMIGWLR-HNNXBMFYSA-N 416.485 3.353 0 40 HGAB COc1ccc(OC)c([C@@H](C)NC(=O)[C@H](C)N(c2ccc(C)cc2)S(C)(=O)=O)c1 260836971 CDBCKNJWELZUOE-CVEARBPZSA-N 420.531 3.044 0 40 HGAB O=C1CC[C@]2(c3ccccc3)CCN(S(=O)(=O)C3CC3)[C@H]2CN1C1CCCC1 306134458 NOFLISKGTOLRSA-RBBKRZOGSA-N 402.560 3.056 0 40 HGAB Cc1cc([C@@H]2c3c(n(C)c(=O)n(C)c3=O)N=C3c4ccccc4C(=O)[C@@H]32)cc(C)c1C 408733358 HGSHORQPAKOAJY-RBUKOAKNSA-N 413.477 3.088 0 40 HGAB O=C(O)CCc1ccc(-c2ccccc2)n1NC(=O)C[C@H]1Oc2ccccc2NC1=O 408969387 NAXBPGBTCBYRCD-HXUWFJFHSA-N 419.437 3.032 0 40 HGAB COCCCNC(=O)CN1C(=O)S/C(=C\c2cc(C(C)C)c(OC)cc2C)C1=O 409202468 QXCNGVAWMIURQK-WQRHYEAKSA-N 420.531 3.316 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@H](C)c3ccccc3)C2)cc1C 409380713 BNHUNKMEJGSRTQ-IEBWSBKVSA-N 416.543 3.282 0 40 HGAB CN(CC1CC1)C(=O)[C@]12CCC(=O)N1c1ccccc1C(=O)N2Cc1ccccc1 544685071 HPAWYWVBPVPRCP-DEOSSOPVSA-N 403.482 3.034 0 40 HGAB C[C@@H](Oc1ccc2c(c1)CCC2)c1nc(-c2cccc([C@]3(C)NC(=O)NC3=O)c2)no1 545655047 VXTKKKKMVAONRK-ZLOXQWCVSA-N 418.453 3.420 0 40 HGAB Cc1ccc(S(=O)(=O)N2CC3(C[C@H](OCc4cccc(C)n4)CS3)C2)cc1 575402399 CGWQXYBWRNZCJZ-SFHVURJKSA-N 404.557 3.164 0 40 HGAB C[C@H]1C[C@@H](NC(=O)N2Cc3ccccc3-c3ccccc3C2)C(=O)N1c1cnn(C)c1 608733033 JAUUXHOIOXRZIF-KSFYIVLOSA-N 415.497 3.306 0 40 HGAB CN1CCC[C@@H](c2nnc3sc(COc4ccc(Br)cc4)nn23)C1 1501040082 AEWSNCFNUPNAKR-LLVKDONJSA-N 408.325 3.337 0 40 HGAB COC(=O)[C@H](CNC(=O)[C@@H]1c2c[nH]nc2CC[C@H]1C)Cc1cccc2ccccc12 1585814294 QDLLERISIIBGGQ-QRFQSNJMSA-N 405.498 3.377 0 40 HGAB COc1ccccc1-c1ccc(=O)n(C2CN(c3ncccc3C(F)(F)F)C2)n1 1775974707 MDJCNXXYAMOMTC-UHFFFAOYSA-N 402.376 3.394 0 40 HGAB COc1cccc(N(CC(=O)NCc2ccccc2)S(=O)(=O)c2ccccc2)c1 647817 GWHCQDUEALPXCP-UHFFFAOYSA-N 410.495 3.207 0 40 HGAB CC[C@@H](OC(=O)c1nsc(Cl)c1Cl)C(=O)NCc1ccc2c(c1)OCO2 1381353 WYMVLVIYCPHVPW-SECBINFHSA-N 417.270 3.430 0 40 HGAB CCOCCCNC(=O)c1c(N)n(Cc2ccccc2)c2nc3ccccc3nc12 2315804 SPQNHYJLUSTWIK-UHFFFAOYSA-N 403.486 3.371 0 40 HGAB CCOc1ccccc1-c1cc(-c2ccc(OC)cc2)nc2c1c(=O)n(C)c(=O)n2C 3236728 LLKMXLYZACOMIE-UHFFFAOYSA-N 417.465 3.374 0 40 HGAB CC(C)(C)c1ccc(-c2nnc(SCC(=O)NCCc3ccccc3)n2N)cc1 3344415 NKFBWXKVJBVICY-UHFFFAOYSA-N 409.559 3.407 0 40 HGAB C[C@@H](OC(=O)c1cnc(Cl)c(Cl)c1)C(=O)Nc1ccc(N2CCOCC2)cc1 3347949 MKPDEXBBWREUGS-GFCCVEGCSA-N 424.284 3.409 0 40 HGAB CNC(=O)N(O)[C@H]1N(NC(=O)Nc2cccc3ccccc23)C(=S)SC1(C)C 4732493 UZCGTEYJNIWDGR-CQSZACIVSA-N 419.532 3.345 0 40 HGAB COc1cccc(C(=O)Nc2cccc(C(=O)OCC(=O)Nc3cc(C)on3)c2)c1 4986519 VMGLQSJNMKDOAQ-UHFFFAOYSA-N 409.398 3.039 0 40 HGAB CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccccc1C(=O)OC 5430324 ONJONLRTRVXOPQ-UHFFFAOYSA-N 410.499 3.406 0 40 HGAB C[C@H](Oc1ccccc1Cl)C(=O)N(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 5576761 KMTCAMHOWJJPFH-DOTOQJQBSA-N 407.919 3.323 0 40 HGAB CCCCOc1ccc(C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 5633816 YUQZNFSWXYDXSX-UHFFFAOYSA-N 418.515 3.139 0 40 HGAB Cc1cc(C(=O)OCC(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)no1 6602666 BAVJBVBCTKESGP-HNNXBMFYSA-N 407.426 3.270 0 40 HGAB CCS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1ccc(C(F)(F)F)cc1 6648017 QBLFONXBLGMKTA-KRWDZBQOSA-N 412.433 3.421 0 40 HGAB COc1ccc(NC(=O)CSc2nc3ccccc3c3nc(C)nn23)c(OC)c1 6918743 VIQJRDXFGYXFKS-UHFFFAOYSA-N 409.471 3.334 0 40 HGAB Cc1ccc(Cl)c(NC(=O)COC(=O)c2n[nH]c(=O)c3ccccc23)c1Cl 7675879 KQSAIZWBLDJJMT-UHFFFAOYSA-N 406.225 3.334 0 40 HGAB C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)NCc3ccccc3F)cc2)C1 7755266 YNBIILHLZBJKGU-HOTGVXAUSA-N 404.507 3.422 0 40 HGAB Cc1ccnn1-c1ccc(C(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)cc1 7941170 NZCGFVWQFNWMKZ-UHFFFAOYSA-N 410.499 3.218 0 40 HGAB CCN(C(=O)CSc1nc(-c2ccc(C)cc2)cs1)[C@@H]1CCS(=O)(=O)C1 8343049 JREOJHQFJJAJNY-OAHLLOKOSA-N 410.586 3.246 0 40 HGAB CC[C@@H](C)N(C(=O)CSc1nnc2n(C)c(=O)c3ccccc3n12)[C@H](C)CC 8353399 NQJLPLAJQWKLPI-ZIAGYGMSSA-N 401.536 3.099 0 40 HGAB CC[C@H](c1nnc(S[C@@H](C)C(=O)NC2CC2)n1-c1ccc(OC)cc1)N(C)C 8427805 FBTCVPVSQQZIEI-SUMWQHHRSA-N 403.552 3.048 0 40 HGAB Cc1ccc(-n2nnnc2SCC(=O)N2c3ccccc3NC(=O)C[C@H]2C)c(C)c1 8901201 VLKCDIIVEYOLDX-OAHLLOKOSA-N 422.514 3.135 0 40 HGAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NCCn1nc(-c2ccco2)ccc1=O 8954673 UCALOZJQODVVER-GFCCVEGCSA-N 422.268 3.394 0 40 HGAB CC(=O)Nc1ccc(N/C(C)=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 9089803 NLKAWBHACAURIC-GZTJUZNOSA-N 412.833 3.267 0 40 HGAB O=C(COc1ccc2c(=O)c(-c3ccccc3)coc2c1)NCCCn1ccnc1 9421194 QJISLCZLJNRQOK-UHFFFAOYSA-N 403.438 3.242 0 40 HGAB biogenic Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccc(Br)cc2F)cc1 10042419 XGVVMLUSSXPNGC-LLVKDONJSA-N 415.284 3.202 0 40 HGAB CC[C@H](C)n1c(C)c(C)n2c3c(=O)n(CCCc4ccccc4)c(=O)n(C)c3nc12 10104280 JPWFAIBPHKHKDC-HNNXBMFYSA-N 407.518 3.370 0 40 HGAB COc1ccc(N([C@H](C)C(=O)Nc2cccc(C(C)=O)c2)S(C)(=O)=O)cc1Cl 10357338 MAQGTPHATLPHKR-GFCCVEGCSA-N 424.906 3.344 0 40 HGAB C[C@@H]1C[C@@H](C)CN(CCCNC(=O)c2ccccc2I)C1 10542910 MQOZGZAUGIFGSV-ZIAGYGMSSA-N 400.304 3.389 0 40 HGAB CC(C)N1CCc2nc3cc(C(=O)N[C@H](C)c4cccs4)ccc3c(=O)n2CC1 12187100 NNLDRCISONXLBL-OAHLLOKOSA-N 410.543 3.216 0 40 HGAB COc1ccc(OC)c(CN2CCC(c3cc(O)nc(-c4cnccn4)n3)CC2)c1 12328085 QVLBHMBWECKUIA-UHFFFAOYSA-N 407.474 3.036 0 40 HGAB COc1cccc([C@H](NS(=O)(=O)c2ccc(F)c(Cl)c2)c2nccn2C)c1 12547504 HIFNXMVMNBNVPF-KRWDZBQOSA-N 409.870 3.289 0 40 HGAB COc1ccc(/N=c2\oc3cc(O)ccc3cc2C(=O)NC[C@H]2CCCO2)c(OC)c1 12706211 QMKUWGUGYOQLNT-NPPSCJOGSA-N 424.453 3.297 0 40 HGAB O=C(Cn1ccccc1=O)Nc1ncc(Cc2ccc(OC(F)(F)F)cc2)s1 12762729 HKVHPJAEJDCECB-UHFFFAOYSA-N 409.389 3.433 0 40 HGAB Cc1nn(-c2ccc(N3CCN(C(=O)Nc4ccccc4F)CC3)nn2)c(C)c1C 13009175 AASDECWSEWARHR-UHFFFAOYSA-N 409.469 3.081 0 40 HGAB COC(=O)c1ccc(NC(=S)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 13732485 GJBSNLWTZJULFD-UHFFFAOYSA-N 424.448 3.406 0 40 HGAB O=C(O[C@@H]1CCOC1=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccco1 14155634 DDQVCWZXOXLKNY-LJQANCHMSA-N 403.394 3.212 0 40 HGAB Cc1nn(CN2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)c(=O)c2ccccc12 14197261 XVJMKFMHGOUHNY-UHFFFAOYSA-N 419.481 3.029 0 40 HGAB CCCCc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCN(C)CC3)c2)cc1 14870031 QKEAEOLWFDPTGF-UHFFFAOYSA-N 415.559 3.218 0 40 HGAB NS(=O)(=O)c1cc(C(=O)Nc2ccc(Br)cc2F)ccc1Cl 15582852 SICBYHNNYRYVQN-UHFFFAOYSA-N 407.648 3.141 0 40 HGAB CCS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)c3cccc(Cl)c3)cc21 15781459 IOLCZPFPTYACBR-UHFFFAOYSA-N 414.936 3.243 0 40 HGAB Cc1cc(-n2c(C)cc(C(=O)COC(=O)c3cc(=O)[nH]c4ccccc34)c2C)no1 16046598 WVOPOLJZZDJBJX-UHFFFAOYSA-N 405.410 3.272 0 40 HGAB COc1ccc(S(=O)(=O)NCC2(c3ccccc3OC)CCOCC2)cc1C 16973054 SLJMVUVXQDKGJB-UHFFFAOYSA-N 405.516 3.039 0 40 HGAB CC(C)(C)C(=O)N1CCCc2cc([C@@H](O)CN3CCN(c4ccccn4)CC3)ccc21 19081438 NFELNRUYUUPVDU-QFIPXVFZSA-N 422.573 3.263 0 40 HGAB Cc1cc2cc(C(=O)NCc3cc(O)n4nc(C5CCOCC5)cc4n3)ccc2o1 19126493 OQEQYSDXBBWHRH-UHFFFAOYSA-N 406.442 3.314 0 40 HGAB Cn1cc(-c2ccnc(N3CCCC3)n2)c([C@H]2CCCN(C(=O)c3ccccc3)C2)n1 19290153 YCRPMPDOWMRNRM-IBGZPJMESA-N 416.529 3.497 0 40 HGAB Cn1ccnc1[C@@H](c1ccccc1)N1CCN(C(=O)CCCN2CCCCCC2)CC1 19291304 LEELCKUQNZEUOK-XMMPIXPASA-N 423.605 3.310 0 40 HGAB O=S(=O)(c1cccc(Cl)c1)N1CCC[C@H](c2nnc(-c3ccccn3)o2)C1 19403317 NLUMXWXKUUJECZ-ZDUSSCGKSA-N 404.879 3.353 0 40 HGAB CC1CCN([C@H](C)CNC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C2CC2)N3)CC1 19496791 GXFQDXKEFDSJDL-UKPHBRMFSA-N 413.488 3.431 0 40 HGAB CC1(C)C[C@@H](NC(=O)CCC(=O)N2CC(=O)Nc3ccccc32)c2ccccc2O1 19718182 OLLZWRUKYPOQJT-QGZVFWFLSA-N 407.470 3.171 0 40 HGAB Cc1cc(C)nc(N2CCC(CC(=O)N3CCN(C)C[C@@H]3c3ccccc3)CC2)n1 19748189 AJXMFWFHBUUVQK-JOCHJYFZSA-N 407.562 3.215 0 40 HGAB COc1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccc(F)cc2)C1 19862518 WXKRTAMYGNEDRR-INIZCTEOSA-N 406.479 3.015 0 40 HGAB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(OC)c(Cl)c1 20005899 IJUIIVGIXPJMSX-KBXCAEBGSA-N 424.950 3.153 0 40 HGAB COc1cc(Cl)c(C)cc1NS(=O)(=O)c1c(C)nc2sc(C)cn2c1=O 20921751 YNZYQXOGAPCWOA-UHFFFAOYSA-N 413.908 3.144 0 40 HGAB O=C(c1ccccc1N1CCCC1=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 23818158 TVALLJCIQZZQON-UHFFFAOYSA-N 418.419 3.190 0 40 HGAB Cc1cc2ccccc2n1CC(=O)O[C@@H](C)C(=O)c1ccc(NS(C)(=O)=O)cc1 25191241 WOOCGKHJVAMRAX-HNNXBMFYSA-N 414.483 3.136 0 40 HGAB COC(=O)c1cc(NC(=O)[C@H](C)Sc2ccc(OC)cc2)cc(C(=O)OC)c1 25368053 PYLGKYBMTZTMSM-LBPRGKRZSA-N 403.456 3.388 0 40 HGAB COc1cccc([C@@H](NC(=O)NCCCc2nc3ccccc3[nH]2)c2nccn2C)c1 29725691 QCEQQUMEMTYDFC-OAQYLSRUSA-N 418.501 3.326 0 40 HGAB CC(C)Cn1c(-c2ccc(O)cc2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 32668209 LHKKIGQYKXUWFO-UHFFFAOYSA-N 415.515 3.086 0 40 HGAB Cc1ccccc1NC(=O)CSc1nnc(-c2ccc3c(c2)OCCO3)c(O)n1 32836329 IHRNVAVJVZHYEX-UHFFFAOYSA-N 410.455 3.055 0 40 HGAB CCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)C1CCN(C(=O)C(C)C)CC1 32909298 MNZJQIQDWASLHU-UHFFFAOYSA-N 407.942 3.330 0 40 HGAB Cc1cccc(OCc2nnc(SCC(=O)Nc3ccc(C(=O)O)cc3)n2C)c1 33768293 QYYLCGNBDYWTQM-UHFFFAOYSA-N 412.471 3.132 0 40 HGAB Cc1cccc(-c2nnc([C@@H](C)N3CCN(S(=O)(=O)c4ccccc4)CC3)o2)c1 38270995 NWAMUPVISAWHPO-QGZVFWFLSA-N 412.515 3.113 0 40 HGAB COc1cc(I)c(Cl)cc1C(=O)NCC[C@@H]1CCCO1 40086668 UDFZGMIHQMBMNE-VIFPVBQESA-N 409.651 3.252 0 40 HGAB CC(C)(CNC(=O)Cn1c(=O)cnc2ccccc21)c1ccc(Br)cc1 40113398 NSARSUGQGUKYGK-UHFFFAOYSA-N 414.303 3.253 0 40 HGAB COC(=O)c1cc(CN(C)C(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)oc1C 48297131 KCRROUJERKDQID-CYBMUJFWSA-N 404.850 3.040 0 40 HGAB CCc1ccc(NC(=O)Cn2ncn3nc(-c4ccc(C)cc4C)cc3c2=O)cc1 51316969 DTBVQNFYTNCIBR-UHFFFAOYSA-N 401.470 3.376 0 40 HGAB CCN(C(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1)c1ccc(OC)nc1 58004510 GWLMMINGZZLHOB-UHFFFAOYSA-N 417.531 3.322 0 40 HGAB Cc1ccc(-c2csc3ncn(CCC(=O)NO[C@@H]4CCCCO4)c(=O)c23)cc1 58135829 ISDLAEGDULWBFB-GOSISDBHSA-N 413.499 3.398 0 40 HGAB COc1cc(Cl)c(C)cc1NC(=O)CN1C(=O)N[C@](C)(c2ccsc2)C1=O 58179918 DMZJSSRHYPRXAH-GOSISDBHSA-N 407.879 3.124 0 40 HGAB COc1ccccc1C[C@H]1CCCN1CC(=O)N1CCc2cc(OC)c(OC)cc2C1 58441236 KABBWVBJPYNDIN-OAQYLSRUSA-N 424.541 3.304 0 40 HGAB O=C(c1ccc2c(c1)OCCO2)C1CCN(CCOCCOc2ccccc2)CC1 59374741 NVHQMLNIMWUMRU-UHFFFAOYSA-N 411.498 3.448 0 40 HGAB CCOC(=O)c1cnn(-c2ccc(SCC(=O)Nc3ccc(C)cc3)nn2)c1C 67240374 VNWQEAVQFNWNMU-UHFFFAOYSA-N 411.487 3.187 0 40 HGAB Cc1ccc(F)c(NC(=O)c2sccc2S(=O)(=O)N2CCSCC2)c1 72042744 SEQFAWOQZROSAH-UHFFFAOYSA-N 400.522 3.185 0 40 HGAB CC(=O)N1CCN(c2ccc(NCc3cc4c(C)ccc(C)c4[nH]c3=O)cc2)CC1 72396120 IRWOIKKSQTZPLL-UHFFFAOYSA-N 404.514 3.426 0 40 HGAB O=C(Nc1cccc2c1CCCN2[C@H]1COCCC12OCCO2)c1ccc(F)cc1 96012984 GJJIBUJWQBSSNO-NRFANRHFSA-N 412.461 3.363 0 40 HGAB COc1ccc(NC(=O)C2=NO[C@@]3(CCCN(C(=O)c4sccc4C)C3)C2)cc1 96074366 RRTSANOXSAZYCW-NRFANRHFSA-N 413.499 3.455 0 40 HGAB CC(=O)Nc1ccc(C(=O)NC2CCN(c3cc(-c4cccs4)n[nH]3)CC2)cc1 98212834 WDYVDAGNGYAIEO-UHFFFAOYSA-N 409.515 3.495 0 40 HGAB CCOC(=O)Cn1/c(=N/C(=O)c2cc3ccccc3oc2=O)sc2ccccc21 100877253 XQADGJMUQOHEIY-DQRAZIAOSA-N 408.435 3.113 0 40 HGAB CC(=O)c1sc(NC(=O)CCN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)nc1-c1ccccc1 102850837 HVZSHKSPMKNOET-HOTGVXAUSA-N 423.494 3.293 0 40 HGAB COc1ccccc1N(CCCC(=O)N[C@@H](C)c1ccc(C)cc1)S(C)(=O)=O 113968017 XDYHIZOTUBPURJ-KRWDZBQOSA-N 404.532 3.427 0 40 HGAB COC(=O)[C@@H]1C[C@H](Oc2ccccc2F)CN1C(=O)COc1ccc(Cl)cc1 206797054 PAEFUSFSYQUCJP-RDJZCZTQSA-N 407.825 3.079 0 40 HGAB CC[C@H](C(=O)Nc1ccccc1C(=O)OC)N(c1cc(C)ccc1C)S(C)(=O)=O 220531912 MQTFIFCGDFLBID-GOSISDBHSA-N 418.515 3.273 0 40 HGAB COC(=O)c1ccc(C)c(NC(=O)c2cc(N(C)S(C)(=O)=O)ccc2Cl)c1 222494428 WGTAIUNJILBZAM-UHFFFAOYSA-N 410.879 3.083 0 40 HGAB COc1ccc(CN(C(=O)COc2ccccc2)[C@@H](C)C(=O)NCc2ccco2)cc1 223001498 INAIUROIKBINRR-SFHVURJKSA-N 422.481 3.401 0 40 HGAB CCCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)COc1ccccc1OC 223515362 WVAAXYMEVKDHBT-LJQANCHMSA-N 412.530 3.450 0 40 HGAB CCOc1ccc(-c2noc(CN(C)S(=O)(=O)Cc3ccc(F)cc3)n2)cc1 223634340 XYHWCIMRXCTPSZ-UHFFFAOYSA-N 405.451 3.236 0 40 HGAB Cc1ccc(C)c(N([C@@H](C)C(=O)NCCOc2ccccc2Cl)S(C)(=O)=O)c1 224041234 CCNQGZUWDRDPCG-INIZCTEOSA-N 424.950 3.307 0 40 HGAB COc1ccc(OCC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NCC(C)C)cc1 224484379 SVDLWTCYHYRCJQ-LJQANCHMSA-N 412.530 3.306 0 40 HGAB CS(=O)(=O)N(CC(=O)NCCSC1CCCCC1)Cc1ccccc1Cl 225068995 DENUNEMYDOOWKU-UHFFFAOYSA-N 419.012 3.284 0 40 HGAB COc1ccc(S(=O)(=O)N(CC(=O)O)c2cc(Cl)ccc2Cl)cc1F 225105013 JVCUOZRVPJHUMZ-UHFFFAOYSA-N 408.234 3.421 0 40 HGAB O=C(Cn1ccc(=O)c2ccc(Br)cc21)Nc1ccc2c(c1)OCO2 225740413 WYGVQNXGSWYHPB-UHFFFAOYSA-N 401.216 3.131 0 40 HGAB CN1[C@@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)CN1CCCC1=O 257255896 KJIVDQFCKQLZJH-CZLVRFMKSA-N 409.574 3.084 0 40 HGAB Cc1csc(Nc2cccc([C@@H]3CN(S(=O)(=O)C4CCCC4)CCO3)n2)n1 257286728 PMTPGTPNYVIXGW-INIZCTEOSA-N 408.549 3.236 0 40 HGAB COc1cccc([C@H]2C[C@@](C)(NC(=O)CCO)C[C@@H](c3ccc(F)cc3)O2)c1O 257330298 XNTPSJSMYQBCQZ-JQVVWYNYSA-N 403.450 3.390 0 40 HGAB Cc1cc(C)cc(CN2C[C@H](c3cccnc3)[C@]3(C2)OCCN(CC2CC2)C3=O)c1 306127648 GEBFPOKBYIOBEZ-NOZRDPDXSA-N 405.542 3.305 0 40 HGAB Cc1ccc(CN2C[C@@H]3Cc4nnc(C(=O)NCc5ccccc5)n4C[C@H]3C2)cc1C 306143426 YCBPZYXDLLLHSW-FCHUYYIVSA-N 415.541 3.129 0 40 HGAB CCN(C)C(=O)c1cccc(C(=O)N2CCCC[C@@H]2c2ccc(C(=O)OC)n2C)c1 1135175193 VOUIUPDOUWCNFZ-LJQANCHMSA-N 411.502 3.271 0 40 HGAB C[C@H]1C[C@@H]2[C@@H](CC(=O)N2C2CC2)[C@@H]1CNS(=O)(=O)c1cccc(C(F)(F)F)c1 1775963956 LLZJPQJSAUTFDC-IAOMBJDPSA-N 416.465 3.019 0 40 HGAB biogenic,in-vitro O=C([C@@H]1CN(C(=O)COc2ccc3c(c2)CCC3)c2ccccc2O1)N1CCCCC1 7825409 NCVZCLHZYXNFFQ-QHCPKHFHSA-N 420.509 3.361 0 40 HGAB COc1ccc(CN(C(=O)CCC(=O)N2CCCCC2)c2nccs2)cc1OC 877527 MXJLHIIONCLILR-UHFFFAOYSA-N 417.531 3.486 0 40 HGAB O=C1[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccccc3)N2C(=O)CN1CCCCCO 4045073 ZPAUWAJFODAXGD-XUZZJYLKSA-N 417.509 3.015 0 40 HGAB biogenic COc1ccc(S(=O)(=O)Nc2ccccc2-c2nc3ccccc3[nH]c2=O)cc1 4270528 KYDSTHYHHCIDRB-UHFFFAOYSA-N 407.451 3.400 0 40 HGAB CCOC(=O)N1CCN(C(=O)c2cc(-c3ccccc3)nn2-c2ccccc2)CC1 4927531 UMKFSFFVGHSPIP-UHFFFAOYSA-N 404.470 3.454 0 40 HGAB COc1ccc(OC)c(NC(=O)CCc2ccc(S(=O)(=O)NC(C)(C)C)cc2)c1 6321956 GYCAESQICZIWGJ-UHFFFAOYSA-N 420.531 3.352 0 40 HGAB Cc1cc(NC(=O)[C@H](C)SCC(=O)Nc2ccc(N3CCCC3=O)c(C)c2)no1 11745375 QARCVRRWQLJVMH-AWEZNQCLSA-N 416.503 3.117 0 40 HGAB COc1ccc(Cl)cc1NC(=O)CN(C)CC(=O)N[C@H](C)CCc1ccccc1 8092896 QJYUHXGPWUWHBQ-MRXNPFEDSA-N 417.937 3.356 0 40 HGAB COc1ccc(C(=O)N(CCCO)Cc2cc3c(C)ccc(C)c3[nH]c2=O)cc1OC 8582592 ACCXPLXGRFRUSR-UHFFFAOYSA-N 424.497 3.187 0 40 HGAB COc1ccc(OC)c([C@H]2CCCN2C(=O)C2CCN(C(=O)c3cccnc3)CC2)c1 29783290 XTUBRTFGOADXAC-OAQYLSRUSA-N 423.513 3.315 0 40 HGAB C[C@H]1C[C@@H](C)CN(CCCNC(=O)c2ccc(I)cc2)C1 10542900 OUVBVXAIUWEIHD-OKILXGFUSA-N 400.304 3.389 0 40 HGAB C[C@@H](Sc1ncnc2ccccc12)C(=O)NC(=O)Nc1ccc2c(c1)OCCO2 32774330 XIHYIEFNENMEKV-GFCCVEGCSA-N 410.455 3.230 0 40 HGAB Cc1ccc(C)c(NS(=O)(=O)c2ccc(OCC(=O)N3CCCCC3)cc2)c1 107701854 OFSLNYJJYYPPOW-UHFFFAOYSA-N 402.516 3.496 0 40 HGAB COc1ccccc1CN(Cc1cccs1)C(=O)Cn1nnc2ccccc2c1=O 32808699 FZPPCDZZRMHBPI-UHFFFAOYSA-N 420.494 3.091 0 40 HGAB COC(=O)c1ccc(C)c(S(=O)(=O)Nc2c(C)cccc2C(=O)N2CCCC2)c1 32833537 VLRUXTCMQMZPQX-UHFFFAOYSA-N 416.499 3.127 0 40 HGAB Cn1cc(Br)c(C(=O)NCCCn2nc(C(F)(F)F)cc2C2CC2)n1 2779579 JSFJHGBKGAVFOP-UHFFFAOYSA-N 420.233 3.095 0 40 HGAB COc1ccc([C@H]2c3sc(=O)[nH]c3S[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]23)cc1 101947708 MSTJOPBPZBIPGP-HLLBOEOZSA-N 424.503 3.241 0 40 HGAB COc1ccc(S(=O)(=O)Nc2cccc(NC(=O)C(C)(C)C)c2)cc1C(=O)O 42122909 FVSXRGTVUPGIDA-UHFFFAOYSA-N 406.460 3.179 0 40 HGAB CCOc1ccc(-c2cc3c(=O)n(CC(=O)Nc4cccc(OC)c4)ccn3n2)cc1 12414473 RYTFOAQVLOLVTA-UHFFFAOYSA-N 418.453 3.209 0 40 HGAB Cc1cccc2nc(C(=O)N(C)CC(=O)Nc3ccccc3Br)cn12 12550025 BCWFAXMFVQKTNW-UHFFFAOYSA-N 401.264 3.116 0 40 HGAB COc1ccccc1[C@@H](CNC(=O)c1cc(=O)c2cc(Cl)ccc2o1)N(C)C 23794663 INWUAVHQKSRWJQ-MRXNPFEDSA-N 400.862 3.488 0 40 HGAB O=C(Cn1nc(-c2ccccc2)ccc1=O)Nc1ccc(Br)cc1F 54658752 OSRQXGKZEORDPT-UHFFFAOYSA-N 402.223 3.451 0 40 HGAB O=C(Nc1cccc(OC[C@H]2CCCO2)c1)[C@@H]1CCCN(C(=O)N2CCCC2)C1 42726685 HOMBRYJCIAWOOI-YLJYHZDGSA-N 401.507 3.111 0 40 HGAB O=C(Nc1ccncc1)C1CCN(C(=O)c2c[nH]c(=S)n2-c2ccccc2)CC1 24702597 JODOBVIQUSMJGW-UHFFFAOYSA-N 407.499 3.421 0 40 HGAB O=C(O[C@H](C(=O)N1CCOCC1)c1ccccc1)C1=Cc2cc(Cl)ccc2OC1 16576424 RZTWJVMGRXPEQQ-FQEVSTJZSA-N 413.857 3.259 0 40 HGAB CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)OCC(=O)NCc1ccc(F)cc1 3272520 IOOPGKKJVSXMKL-IBGZPJMESA-N 420.868 3.093 0 40 HGAB O=C(NCCCc1ccccc1)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1 22518024 PXHKHHHOCIWBFJ-UHFFFAOYSA-N 418.534 3.117 0 40 HGAB CC[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(OC)cc2)C1)c1ccccc1 22515037 QXNRDVJFUSBDIC-NQIIRXRSSA-N 416.543 3.363 0 40 HGAB Cc1ccc(C)c([C@H]2NC(=O)N(CC(=O)Nc3ccccc3C)C3=C2C(=O)OC3)c1 67288682 UWKUUCKXSVSSGS-OAQYLSRUSA-N 405.454 3.128 0 40 HGAB CC[C@H](NC(=O)CN(c1ccccc1OC)S(C)(=O)=O)c1ccc(C)c(C)c1 22362755 VWXCJXZZEXDRFK-SFHVURJKSA-N 404.532 3.346 0 40 HGAB CCN1CCC(NC(=O)NC[C@@H]2CCN(c3ccc(Br)cc3)C2)CC1 57200907 IWVDXHPSKNZAGG-HNNXBMFYSA-N 409.372 3.059 0 40 HGAB CC(C)(C(=O)N1CCN(C(=O)/C=C/c2ccc3c(c2)OCO3)CC1)c1ccccc1 29370503 WIZZQWNRMCHEFF-PKNBQFBNSA-N 406.482 3.077 0 40 HGAB O=C1CCC[C@@H]1[C@H]1COCCN1S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F 108388726 CWZRPWMBHVNMEY-DGCLKSJQSA-N 411.829 3.118 0 40 HGAB NC(=O)c1cc(Cl)ccc1OCC(=O)Nc1ccccc1OCC(F)(F)F 12750377 GXLWQMCKHKULOE-UHFFFAOYSA-N 402.756 3.398 0 40 HGAB C[C@H]1C[C@@H](C)CN(Cc2ccc(CNC(=O)C3CCN(C(=O)C4CC4)CC3)cc2)C1 48310743 ORQHBCOWTMCPRX-KDURUIRLSA-N 411.590 3.429 0 40 HGAB COc1c(Br)cc(Br)cc1/C=C1/C(=O)N(C)C(=S)N1C 409043525 MVLXHMKUGRMMOY-YHYXMXQVSA-N 420.126 3.250 0 40 HGAB COc1cc2c(cc1OC)CN([C@@H]1CC(=O)N(c3ccc(F)c(Cl)c3)C1=O)CC2 22609317 XGVZDRJKQCJUDH-QGZVFWFLSA-N 418.852 3.187 0 40 HGAB Cc1sc2nc(CSCC(=O)Nc3nnc(C(C)C)s3)[nH]c(=O)c2c1C 36366104 OWTMYAMAVCGUPJ-UHFFFAOYSA-N 409.562 3.448 0 40 HGAB COC(=O)c1cc(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)ccc1Cl 12983440 MDQSRQNUECELBL-UHFFFAOYSA-N 408.863 3.054 0 40 HGAB CCCC(=O)N1CCN(c2ccc(NC(=O)c3c(OC)cccc3OC)cc2)CC1 4122996 AIGDLFSJYIFCGV-UHFFFAOYSA-N 411.502 3.405 0 40 HGAB Cc1nc2ncnn2c(O)c1CCC(=O)NCCC(c1ccccc1)c1ccccc1 13688025 ZEMGAOGYJRGYGZ-UHFFFAOYSA-N 415.497 3.409 0 40 HGAB CC[C@@H](C)NC(=O)c1ccc(NC(=O)C[C@@H]2SC(N3CCCCC3)=NC2=O)cc1 8315537 YKMSOWDHSZAFSH-PBHICJAKSA-N 416.547 3.027 0 40 HGAB CCOC(=O)NC(=O)COC(=O)c1ccccc1CSc1nc2ccccc2[nH]1 5267073 URXYQXNHJNZHKD-UHFFFAOYSA-N 413.455 3.285 0 40 HGAB Cc1ccc(N([C@H](C)C(=O)NCCSc2ccccc2)S(C)(=O)=O)cc1C 409411801 ZUVURARRDVAJHN-QGZVFWFLSA-N 406.573 3.366 0 40 HGAB CC(=O)c1ccc(S(=O)(=O)N2CCc3cc4c(cc3[C@H]2C)OCCCO4)cc1 5424060 NEAQRXTWGSALFX-CQSZACIVSA-N 401.484 3.359 0 40 HGAB O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@H]1Cc2cc(Cl)ccc2O1 14245015 RWPFVYZXNJFYKC-GOSISDBHSA-N 406.891 3.067 0 40 HGAB CN(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)NC2CCCCC2)cc1 4689008 JHHHPMLWEMWZEP-UHFFFAOYSA-N 416.543 3.335 0 40 HGAB O=C(c1ccc(S(=O)(=O)C(F)F)cc1)N1CCN(C/C=C/c2ccccc2)CC1 23763806 KLDAVZDNUWJZNE-QPJJXVBHSA-N 420.481 3.154 0 40 HGAB COc1ccccc1N1CCN(C(=O)[C@H](NC(=O)C2CCC(C)CC2)C(C)C)CC1 6722261 SQZLTHYDUZQBKT-OBFZPWGMSA-N 415.578 3.311 0 40 HGAB COCc1cc(C(C)=O)ccc1O[C@@H](C)C(=O)Nc1ccc(N2CCOCC2)cc1 6831186 AVSLJBICXWDTBY-KRWDZBQOSA-N 412.486 3.278 0 40 HGAB CSc1ccc(S(=O)(=O)N2CCC(C(=O)NCCc3ccccc3)CC2)cc1 4986192 RRHGCBPXRIPTEO-UHFFFAOYSA-N 418.584 3.168 0 40 HGAB CCOc1ccccc1N1CCN(C(=O)COc2ccc3c(C)cc(=O)oc3c2)CC1 4901467 QPWDKYDAZKYCJZ-UHFFFAOYSA-N 422.481 3.228 0 40 HGAB Cc1cc(CSc2nnc(-c3cccc(S(=O)(=O)N4CCCCC4)c3)o2)no1 8777064 XEVOPARCQVHGIG-UHFFFAOYSA-N 420.516 3.500 0 40 HGAB Cc1ccc([C@@H](CNC(=O)c2cc(=O)c3cc(Br)ccc3o2)N(C)C)o1 15860374 AXVVHFKNTKWNBK-CQSZACIVSA-N 419.275 3.490 0 40 HGAB CC(C)NC(=O)N1CCCCC[C@H]1C1CCN(c2ncc(C(N)=O)cc2Cl)CC1 69901319 QAHYPRVFDMZETE-SFHVURJKSA-N 421.973 3.413 0 40 HGAB Cc1cc(I)ccc1NC(=O)CNC(=O)Oc1ccccc1 408736380 BJAYIVFQEUQPIA-UHFFFAOYSA-N 410.211 3.327 0 40 HGAB CCN(Cc1ccccc1)C(=O)CN1N=C(c2nc(-c3ccccc3)no2)CCC1=O 71772339 GIQWDMLDEFJLNO-UHFFFAOYSA-N 417.469 3.112 0 40 HGAB CCNC(=O)N1CCc2ccc(NC(=O)[C@H]3CCc4[nH]nc(C(F)(F)F)c4C3)cc21 89977458 NDZLZAOFNIKZAU-LBPRGKRZSA-N 421.423 3.264 0 40 HGAB Cc1ccc([C@@H](C)NC(=O)Cn2c(-c3cccc(F)c3)nc(C)c(CCO)c2=O)cc1 67316942 KYEACRMLUXRANX-MRXNPFEDSA-N 423.488 3.078 0 40 HGAB CC(C)Oc1ccc(NC(=O)[C@@H](NC2=NS(=O)(=O)c3ccccc32)C(C)C)cc1 59876916 ZCKCMFFOVIBQFO-IBGZPJMESA-N 415.515 3.176 0 40 HGAB C[C@@H](C(=O)N[C@@H]1CCCc2ccccc21)N1CCN(Cc2ccc3c(c2)CCO3)CC1 23247942 FVDMGCOPSXVNMV-YADARESESA-N 419.569 3.321 0 40 HGAB CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)N[C@H](C)CC)CC1 408559764 YQWMTKLUWVTKJC-CYBMUJFWSA-N 402.944 3.054 0 40 HGAB COc1ccc(C(C)C)cc1CN1CCO[C@@]2(CCCC[C@@H]2NCC(=O)N(C)C)C1 306127000 FLGPNJHDHGKYNY-UPVQGACJSA-N 417.594 3.010 0 40 HGAB CN1CC[C@@H](COCc2ccncc2)CC12CN(C(=O)c1cc3ccccc3[nH]1)C2 306126573 DZEXMLFFIWTKHI-LJQANCHMSA-N 404.514 3.316 0 40 HGAB O=c1c(Cl)c(N2CCC(n3ccnc3)CC2)cnn1-c1ccc(C(F)(F)F)cn1 60296299 QLNPIFWBDNOGCY-UHFFFAOYSA-N 424.814 3.338 0 40 HGAB COCCNC(=O)c1cc([C@@H]2CCN(C(=O)c3scnc3C)C2)nc2ccccc12 72352669 RQSSEYDWSNMCLT-OAHLLOKOSA-N 424.526 3.006 0 40 HGAB CCOc1cc(S(=O)(=O)N2CCN=C2Cc2ccccc2)ccc1Br 32602313 JOCQRMKMTZAAJT-UHFFFAOYSA-N 423.332 3.493 0 40 HGAB COc1ccc(OC)c(S(=O)(=O)NCc2nc(-c3ccc(C(C)C)cc3)no2)c1 223621000 FMQXDPZQECTVOY-UHFFFAOYSA-N 417.487 3.356 0 40 HGAB O=C1[C@H]2[C@@H]3C=C[C@@H]([C@@H]2C(=O)N1CN(C(=O)C(F)(F)F)c1ccccc1Cl)[C@@H]1C[C@H]31 226400783 JVRDQUOEXUDOPB-WIYAMZDGSA-N 424.806 3.246 0 40 HGAB CC1CCN(c2cc(C(F)(F)F)nc(NC(=S)NC[C@H]3CCCO3)n2)CC1 225909999 YNUDJWRIESQGAX-GFCCVEGCSA-N 403.474 3.197 0 40 HGAB COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)Nc1ccccc1SC 225267144 AGIFEXRRMKFABN-UHFFFAOYSA-N 408.545 3.239 0 40 HGAB C[C@@H](C(=O)NCCCc1ccc(F)cc1)N(c1ccc(F)c(F)c1)S(C)(=O)=O 220457143 QADAQLQKIKZJFW-ZDUSSCGKSA-N 414.449 3.007 0 40 HGAB CCCCN(CC)C(=O)c1ncn2c1CN(CC1CC1)S(=O)(=O)c1ccccc1-2 96147442 RWQXFVBCBAWOID-UHFFFAOYSA-N 416.547 3.049 0 40 HGAB O=C1CCCC[C@H]2[C@@H](C[C@@H](c3cccc(C(F)(F)F)c3)N2C(=O)c2cc[nH]n2)N1 257246116 ISNYQRJNQBXMQG-IKGGRYGDSA-N 406.408 3.443 0 40 HGAB Cc1nc2cc([C@@H]3CCCN3C(=O)C3CC3)nn2c(C)c1CCC(=O)N1CCCCC1 257285365 PGTBEKPGFRVVPU-NRFANRHFSA-N 423.561 3.365 0 40 HGAB COc1ccc(NC(=O)[C@]23C[C@H]2CN(c2ccc(Cl)cc2)S3(=O)=O)c(C)c1 260828904 FHDKHKZNYHOWKP-DJJJIMSYSA-N 406.891 3.204 0 40 HGAB O=C(CSc1ccc(F)cc1)NCCn1nc(-c2cccs2)n(C2CC2)c1=O 96096643 UMQPPWSNVSKLCR-UHFFFAOYSA-N 418.519 3.156 0 40 HGAB Cc1cccc(COC[C@H]2CN(C(=O)c3cc4ccccc4[nH]3)Cc3ccnn32)n1 585095449 YGPGSQDBNOSRKW-HXUWFJFHSA-N 401.470 3.482 0 40 HGAB CCc1nnc([C@H]2C(=N)S/C(=C\c3ccc(OCC#N)c(OC)c3)C2=O)s1 6187378 KHSWCCHPXIVBPY-GNIMDGIVSA-N 400.485 3.429 0 40 HGAB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NCCCOCC3CC3)c2)cc1 12526050 GUPMLUSDYSQKCN-UHFFFAOYSA-N 402.516 3.342 0 40 HGAB CCN(CC(=O)Nc1ccc(Cl)cc1C)S(=O)(=O)c1cc(F)ccc1OC 13581186 GTNZTPSUKNQTIP-UHFFFAOYSA-N 414.886 3.445 0 40 HGAB Cc1ccc(NC(=O)c2c(N3C(=O)[C@@H]4[C@@H]5CC[C@@H](O5)[C@@H]4C3=O)sc3c2CCC3)cc1 17093110 XAOGRONEMHVGDY-DJDHSFSDSA-N 422.506 3.464 0 40 HGAB CCCc1cc(=O)[nH]c(SCC(=O)Nc2sc3c(c2C(=O)OCC)CCC3)n1 17751231 GTVYRTMJWJMCMM-UHFFFAOYSA-N 421.544 3.180 0 40 HGAB O=S(=O)(c1cccc2cccnc12)N1CCC[C@@H](c2nnc(-c3ccccn3)o2)C1 19403326 RHITXKPFHJUAFA-MRXNPFEDSA-N 421.482 3.248 0 40 HGAB Cc1c(C)c(C)c(S(=O)(=O)N[C@H]2CCS(=O)(=O)c3ccccc32)c(C)c1C 9113577 PVQGKUKAFVBIPA-SFHVURJKSA-N 407.557 3.426 0 40 HGAB Cc1nc(N2CC[C@@H]3CN(c4cc(C(F)(F)F)ccn4)C[C@@H]32)c2ccncc2n1 1889201587 OUIYUEKYNKRUMR-DYVFJYSZSA-N 400.408 3.462 0 40 HGAB CC(C)Cc1cc(C(=O)N2CCC[C@@](O)(COc3ccc(F)cc3)CC2)n(C)n1 2037909234 GGGYXIPGEWSQEP-QFIPXVFZSA-N 403.498 3.194 0 40 HGAB CCOc1ccc(-c2nnc3ccc(SCC(=O)Nc4cc(C)on4)nn23)cc1 4165101 LQMLRSBUJBLBFW-UHFFFAOYSA-N 410.459 3.217 0 40 HGAB O=C([C@@H]1COc2ccccc2O1)N1CCN(c2nc3c(Cl)cccc3s2)CC1 5181959 DDUTUHJKPYHVOB-INIZCTEOSA-N 415.902 3.438 0 40 HGAB CCOc1ccc(NC(=O)NCCS(=O)(=O)c2c(C)n(C)c3ccccc23)cc1 8808469 BSVQQLNJBSRTKL-UHFFFAOYSA-N 415.515 3.481 0 40 HGAB NC(=O)c1c(NC(=O)CCCS(=O)(=O)c2ccc(F)cc2)sc2c1CCCC2 9914800 WUWMUBPEDLQTLK-UHFFFAOYSA-N 424.519 3.058 0 40 HGAB CS(=O)(=O)N1CCC[C@H](C(=O)Nc2nc(-c3cc4ccccc4o3)cs2)C1 13790669 HCZNQLOTRBUOBZ-ZDUSSCGKSA-N 405.501 3.166 0 40 HGAB O=C(C1CCOCC1)N1CCC(c2ccc3cc(-c4cncnc4)cnc3n2)CC1 1891232916 KAIDVNVNEYUVCU-UHFFFAOYSA-N 403.486 3.219 0 40 HGAB COc1ccc(Cl)cc1S(=O)(=O)NCC1(c2cccs2)CCOCC1 38940147 HWHVXMKCWPNAKN-UHFFFAOYSA-N 401.937 3.437 0 40 HGAB Cc1ccc(C)c(NC(=O)Cn2nc(-c3nc(-c4ccccc4)no3)ccc2=O)c1 49407552 DBSQWWDKEZYZIZ-UHFFFAOYSA-N 401.426 3.216 0 40 HGAB COc1c(F)c(F)cc(C(=O)N2CCC[C@@H](n3cnc4ccccc4c3=O)C2)c1F 575617284 NFKRDTJKKSOUFA-GFCCVEGCSA-N 417.387 3.300 0 40 HGAB NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(Oc3ccccc3)cc2)s1 40105402 UCSYVFUDMZXAGK-UHFFFAOYSA-N 402.497 3.160 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2oc3c(c2C)C(=O)CCC3)cc1 40131245 OJYTXIROKDKHPP-UHFFFAOYSA-N 418.515 3.068 0 40 HGAB O=C(Cc1csc(Cc2ccccn2)n1)NC1CCN(Cc2ccccc2)CC1 40132667 RNWGQJZMTXWQKU-UHFFFAOYSA-N 406.555 3.452 0 40 HGAB CCOC(=O)C1=C(CSc2nccn2-c2ccccc2C(C)C)NC(=O)NC1 11256203 QDYMSBBOAVNVAY-UHFFFAOYSA-N 400.504 3.218 0 40 HGAB O=C(c1cn(-c2ccccc2)nc1-c1cccnc1)N1CCN(c2ccccn2)CC1 8075639 UCNVFHYSHQXDHN-UHFFFAOYSA-N 410.481 3.292 0 40 HGAB COc1ccc(C(=O)N[C@H](c2ccc(OC)c(OC)c2)n2nnc3ccccc32)cc1 885438 ODTOMHBKJWPQQV-QFIPXVFZSA-N 418.453 3.434 0 40 HGAB Cc1ccc(N(CC(=O)NCc2cccnc2)S(=O)(=O)c2ccccc2)c(C)c1 886474 VJQKRUKUVTWJCD-UHFFFAOYSA-N 409.511 3.210 0 40 HGAB Cc1cc(C)cc(OCC(=O)/N=c2/[nH]nc(-c3ccccc3Br)[nH]2)c1 8115342 UITVRAMOSCUFDE-UHFFFAOYSA-N 401.264 3.290 0 40 HGAB C[C@H]1/C(=C/C(=O)OCCN(C)C)CC[C@@H]2[C@@H]1C(=O)C[C@H]1C(C)(C)[C@@H](O)CC[C@@]21C 4804680 GMHWATCMBXIANN-URCOGRNBSA-N 405.579 3.456 0 40 HGAB COc1ccc(OC)c(N(CC(=O)NCCC(C)C)S(=O)(=O)c2ccccc2)c1 6325668 HYILLUUSBDUYCG-UHFFFAOYSA-N 420.531 3.061 0 40 HGAB COC(=O)c1c(NC(=O)CSc2nc(N)c3ccccc3n2)sc2c1CCC2 2649209 MYVJXYKSFGHUFM-UHFFFAOYSA-N 414.512 3.280 0 40 HGAB C[C@H](CNC(=O)COCc1nc2ccccc2s1)N1CCN(c2ccccc2)CC1 32724275 QFSUONFGNATXJF-GOSISDBHSA-N 424.570 3.140 0 40 HGAB Cc1cccc(C(=O)N2CCCN(CCC(=O)Nc3ccnn3C3CCCC3)CC2)c1 29851414 OHRXEDVCSBKENO-UHFFFAOYSA-N 423.561 3.483 0 40 HGAB Cc1cccc(N2C[C@@H](C(=O)OCC(=O)Nc3cccc(Cl)c3)CC2=O)c1C 9594264 XYYOEHVCADNDIN-HNNXBMFYSA-N 400.862 3.492 0 40 HGAB COc1cc(CN2[C@H]3CC[C@H]2CC(O)(c2ccc(F)cc2)C3)ccc1OCCO 100727126 SJMOLUVILMRCID-PMACEKPBSA-N 401.478 3.220 0 40 HGAB O=S(=O)(CCn1nnc2ccccc21)N[C@H](c1ccc(F)cc1)C1CCCC1 32935764 ZGNPHDVOCDLIRL-FQEVSTJZSA-N 402.495 3.421 0 40 HGAB O=C(CCSc1nccc(C(F)(F)F)n1)Nc1ccc(N2CCOCC2)cc1 32903559 RSMBYJHWGWBEHD-UHFFFAOYSA-N 412.437 3.453 0 40 HGAB O=c1c(CN2CCN(c3ccc(F)cc3)CC2)coc(O)c1CN1CCCCCC1 101409273 YXZCDHZGTMNNBT-UHFFFAOYSA-N 415.509 3.183 0 40 HGAB C[C@@H]1[C@@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)CCC[C@H]1C 104202267 TZOKBTIMPLNCKU-TYILLQQXSA-N 414.518 3.306 0 40 HGAB CN(C)[C@@H](CNC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccco1 23081045 RFKJCYBGTFITTB-IBGZPJMESA-N 413.499 3.113 0 40 HGAB Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(N(C)C)cc3)cc2)no1 947848 LDGHFXCHVBFRQE-UHFFFAOYSA-N 400.460 3.102 0 40 HGAB O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)N[C@@H]1C[C@@H]2CC[C@@H]1C2 100230778 SSPPYCLCEGWFBF-JXXFODFXSA-N 402.491 3.326 0 40 HGAB O=C(Nc1cc(C(F)(F)F)ccc1N1CCCCCC1)[C@H]1CCS(=O)(=O)C1 12522672 YPHISPXJVDNDHQ-ZDUSSCGKSA-N 404.454 3.459 0 40 HGAB O=C(NCc1ccccc1Cn1cccn1)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 24625538 WQLSWNJPCBDVAJ-NRFANRHFSA-N 420.488 3.239 0 40 HGAB COc1ccc([C@H](CC(=O)OC(C)C)NC(=O)c2cc3ccccc3[nH]c2=O)cc1 25081244 OLAPJGVJUXDLRU-FQEVSTJZSA-N 408.454 3.350 0 40 HGAB Cc1cc(OCC(=O)NC[C@H]2CC[C@H](C(=O)O)CC2)c2c(C)c(C)c(=O)oc2c1 100762576 XSZBMKCCHHTLGD-IYBDPMFKSA-N 401.459 3.104 0 40 HGAB CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](C)OC(=O)c2cccc(Cl)c2)cc1 10648453 LXATZZDAMKCGOK-ZDUSSCGKSA-N 424.906 3.211 0 40 HGAB Cc1ccc(Cn2c(=O)c3sccc3n(CC(=O)NCCC(C)C)c2=O)cc1C 57426962 BJEDUPAWPVFZKL-UHFFFAOYSA-N 413.543 3.052 0 40 HGAB CCOC(=O)[C@H]1C(=O)N=C(N2CCc3ccccc3C2)N[C@H]1c1ccccc1Cl 20801424 QNHXJVLZHMGCOR-MOPGFXCFSA-N 411.889 3.105 0 40 HGAB COc1ccc([C@@H](C)NC(=O)CN(C)S(=O)(=O)c2c(C)cc(C)cc2C)cc1 20013125 OFTXEPGHPFRJNR-QGZVFWFLSA-N 404.532 3.118 0 40 HGAB O=C(COC(=O)CNC(=O)c1ccc(Cl)cc1Cl)NCCC1=CCCCC1 3276456 DNNWEGBYNBNOKN-UHFFFAOYSA-N 413.301 3.273 0 40 HGAB CCCc1nc2c3cc(OC)c(OC)cc3n(Cc3cccc(OC)c3)c(=O)n2n1 69350509 GVEAVYKTDCTSCL-UHFFFAOYSA-N 408.458 3.071 0 40 HGAB CN(C1CCCCC1)S(=O)(=O)c1cccc(C(=O)OCC(=O)c2ccc[nH]2)c1 3311489 XMENOZWDATYUFY-UHFFFAOYSA-N 404.488 3.008 0 40 HGAB COc1ccc(OC)c(NC(=O)Cn2nnc(-c3cccc(C(F)(F)F)c3)n2)c1 3359559 JHFCSMXDINJLBY-UHFFFAOYSA-N 407.352 3.015 0 40 HGAB O=C1N(Cc2ccccc2)CCO[C@@]12CN(Cc1ccco1)C[C@@H]2c1cccnc1 306142362 WXCGURHISQFEKK-ISKFKSNPSA-N 403.482 3.072 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(C(=O)NCCCN(C)c2ccccc2F)cc1 48302366 PRCFRWCIFWNNGC-UHFFFAOYSA-N 421.538 3.113 0 40 HGAB CSc1cccc(NC(=O)[C@@H](NC2=NS(=O)(=O)c3ccccc32)C(C)C)c1 12999820 FMWYSCJAFSFRNP-KRWDZBQOSA-N 403.529 3.110 0 40 HGAB Cc1ccc([C@@H]2C[C@@H](c3ccccc3)N3NC(NC(=O)CCCC(=O)O)=NC3=N2)cc1 38161729 QFBRPESVYFHLCU-OALUTQOASA-N 419.485 3.084 0 40 HGAB COc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)c(OC)c1 3606811 LFUVAOINXULJHG-UHFFFAOYSA-N 424.906 3.394 0 40 HGAB Cc1ccccc1Cn1c(=O)c2c(nc3n2CCN3c2cccc(Cl)c2)n(C)c1=O 9123981 AMDGWIOHVJUTKD-UHFFFAOYSA-N 421.888 3.059 0 40 HGAB CCOc1ccccc1NC(=O)CN1C(=O)N[C@](C)(c2ccc(Cl)cc2)C1=O 4468488 CCHRXNMYTQCUGA-HXUWFJFHSA-N 401.850 3.144 0 40 HGAB Cc1cccc(OCC(=O)NC(=S)Nc2sc3c(c2C(N)=O)CCCC3)c1C 6504464 MTGZKFORJXYCAT-UHFFFAOYSA-N 417.556 3.235 0 40 HGAB Cc1ccc(-c2nnc(S)n2CC(=O)N[C@H](C)c2ccc3c(c2)OCCO3)cc1 18109804 BUKRZEWSEWVTGH-CQSZACIVSA-N 410.499 3.191 0 40 HGAB O=C(CCN1C(=O)NC2(CCCC2)C1=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 6657915 LDPXIJZRDVVVAC-UHFFFAOYSA-N 417.469 3.423 0 40 HGAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCCCCC3)C2)cc1C 408556586 DPDZEAKSAILINM-GOSISDBHSA-N 408.564 3.197 0 40 HGAB CCCN1CCc2nc(SCC(=O)Nc3ccccc3OCC)nc(O)c2C1 67291760 LVOMXTCDRVLVNO-UHFFFAOYSA-N 402.520 3.080 0 40 HGAB COc1ccc([C@@H](NC(=O)Cn2nnc(-c3ccc(F)cc3)n2)c2ccccc2)cc1 7490219 UNNYIQUZYQJEFA-QFIPXVFZSA-N 417.444 3.394 0 40 HGAB CC(C)Oc1ccc(NC(=O)c2ccc(N3C(=O)[C@@H](C)CS3(=O)=O)cc2)cc1 15842964 YQPACJKIUCLDNH-AWEZNQCLSA-N 402.472 3.039 0 40 HGAB O=C(CN1CCC[C@H]1c1ccc2c(c1)OCCO2)Nc1ccc(N2CCOCC2)cc1 7620696 DXBNAQODCIEVHO-NRFANRHFSA-N 423.513 3.070 0 40 HGAB COc1ccccc1[C@@H]1[C@H](C(=O)NCCN(C)C)CCC(=O)N1c1ccc(C)cc1 7987381 NNDOECCHAVBTMV-NFBKMPQASA-N 409.530 3.166 0 40 HGAB COc1ccc(N(CC(=O)N(C)Cc2ccc(C)cc2)S(C)(=O)=O)cc1Cl 20488146 CFYBVEOQBUFLPF-UHFFFAOYSA-N 410.923 3.082 0 40 HGAB C[C@]1(c2ccc3c(c2)OCCCO3)NC(=O)N(CC(=O)c2ccc(Cl)s2)C1=O 9871793 SWEQSIVKOBTRPB-LJQANCHMSA-N 420.874 3.213 0 40 HGAB COc1ccccc1[C@H](CNC(=O)c1ccc(N2CCNC2=O)c(C)c1)N1CCCC1 72272993 VSWKFGJRDXABBB-NRFANRHFSA-N 422.529 3.100 0 40 HGAB COc1ccccc1[C@@H](c1nnnn1C(C)(C)C)N1CCN(c2ccc(F)cc2)CC1 20139554 PASVXYSEVNQGPG-NRFANRHFSA-N 424.524 3.487 0 40 HGAB COc1ccc(S(=O)(=O)Nc2cnn(Cc3cccc(Cl)c3)c2)cc1OC 28220607 KUBSXWYHVAOFME-UHFFFAOYSA-N 407.879 3.403 0 40 HGAB O=C(O)CN1C(=O)S/C(=C/c2ccc(-c3ccc(C(=O)O)c(Cl)c3)o2)C1=O 409137423 VCTRVTDLYVLIBV-AWNIVKPZSA-N 407.787 3.419 0 40 HGAB Cc1ccc(NC(=O)CN2C(=O)N/C(=C\c3cccn3-c3ccc(O)cc3)C2=O)cc1 409023198 UPWARKHOLDPQFO-MOSHPQCFSA-N 416.437 3.023 0 40 HGAB COC(=O)c1ccc(Cl)c(NC(=O)CN(c2cc(C)cc(C)c2)S(C)(=O)=O)c1 409257261 RTXDZEJCFALTPP-UHFFFAOYSA-N 424.906 3.148 0 40 HGAB O=C(CN1C(=O)S/C(=C/c2ccc3c(c2)OCO3)C1=O)Nc1ccc(F)cc1F 33708801 JSUIGIFJYQWHPA-OMCISZLKSA-N 418.377 3.369 0 40 HGAB CCS(=O)(=O)N(CC(=O)Nc1ccc(C)c(Cl)c1)c1ccc2c(c1)OCCO2 408703855 ZTBCJPJABAJUTR-UHFFFAOYSA-N 424.906 3.214 0 40 HGAB c1cc2c(cc1CN1CCC[C@@H](c3nc4ccc(N5CCCC5)cn4n3)C1)OCO2 306127946 GLKKWTBSKHUKNH-GOSISDBHSA-N 405.502 3.438 0 40 HGAB Cc1cccc(-c2nnc(SCC(=O)Nc3ccc(Cl)cc3)n2CC(N)=O)c1 32741932 GLFQDOOHOXLICD-UHFFFAOYSA-N 415.906 3.123 0 40 HGAB CN1Cc2nnc(-c3ccc(F)cc3)n2C2(CCN(C(=O)c3ccccc3F)CC2)C1 306130411 JFJNNRSGCNIWAL-UHFFFAOYSA-N 423.467 3.300 0 40 HGAB CCOC(=O)[C@@H]1C(=O)N(CCCOC)c2nc3ccccc3n2[C@@H]1[C@@H]1CC=CCC1 216581371 LXQLQHPRFBRXQO-LSTHTHJFSA-N 411.502 3.496 0 40 HGAB COC(=O)c1ccc(NCN2C(=O)S/C(=C/c3ccc4c(c3)OCO4)C2=O)cc1 33908417 UXCPZVDOJJIMTC-RQZCQDPDSA-N 412.423 3.308 0 40 HGAB CN(C)C(=O)[C@]1(Cc2cccc(-c3ccncc3)c2)CN(C(=O)CC(C)(C)C)CCO1 72389075 SDBQJWPVFUHMKE-VWLOTQADSA-N 423.557 3.413 0 40 HGAB CCN(CC)S(=O)(=O)N1CCC[C@H](c2cccc(Nc3ncccc3C)n2)C1 72376011 LNWGQTHUHBHRLB-KRWDZBQOSA-N 403.552 3.295 0 40 HGAB COc1ccc(S(=O)(=O)Nc2cccc(OCCn3cccn3)c2)cc1Cl 40135043 UPEMIKWHCNXERP-UHFFFAOYSA-N 407.879 3.425 0 40 HGAB CC(C)[C@@H](CNC(=O)c1cc(Br)ccc1Cl)N1CCN(C)CC1 40092500 ZOYHVESNGDHZNA-MRXNPFEDSA-N 402.764 3.104 0 40 HGAB C[C@@H](CNC(=O)CCCN(c1ccc(F)c(F)c1)S(C)(=O)=O)c1ccccc1 224890160 WXKKJLXEFQMSSP-HNNXBMFYSA-N 410.486 3.431 0 40 HGAB CCc1cc(S(=O)(=O)N(C)Cc2nc(-c3cccc(OC)c3)no2)ccc1OC 223781508 RGWZUNBOPPLRRL-UHFFFAOYSA-N 417.487 3.137 0 40 HGAB S=C1N[C@@H](c2ccccn2)[C@H](c2ccc[nH]2)N1c1ccc(N2CCOCC2)cc1 223920842 AYVLXNQGIMOYHF-SFTDATJTSA-N 405.527 3.423 0 40 HGAB CCOc1ccc(N([C@@H](C)C(=O)NCCSC2CCCC2)S(C)(=O)=O)cc1 225603437 FSIHNELZEKQCEQ-HNNXBMFYSA-N 414.593 3.032 0 40 HGAB Cc1cccc(C)c1N(CC(=O)NCc1ccc(OC(C)C)cc1)S(C)(=O)=O 44842826 XBTUGDADDHFWOA-UHFFFAOYSA-N 404.532 3.173 0 40 HGAB CC[C@H](NS(=O)(=O)c1ccc(C)c(C(=O)OC)c1)c1ccc(OC)c(OC)c1 222624436 HCWMPNHBAPTHLD-KRWDZBQOSA-N 407.488 3.228 0 40 HGAB CCOC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 224822193 APDUHSGHLJFTIP-UHFFFAOYSA-N 419.499 3.340 0 40 HGAB CCOC(=O)CN(c1ccc(C(=O)OCC)cc1C)S(=O)(=O)c1ccc(C)cc1 224697711 CDYTWZAZGGDJAO-UHFFFAOYSA-N 419.499 3.239 0 40 HGAB COc1ccc(C(=O)N2CCCC2)cc1CN(C)S(=O)(=O)c1ccc(Cl)cc1 224793948 SNAXRGBWFLTIHH-UHFFFAOYSA-N 422.934 3.405 0 40 HGAB O=C(Nc1ccc(N2CCOCC2)cc1)[C@@H]1CC2(CCNCC2)Oc2ccccc21 96156833 RCDKJOMJEQABOA-OAQYLSRUSA-N 407.514 3.150 0 40 HGAB COc1ccccc1N1CCN(C(=O)c2c(-c3cccs3)noc2[C@H](C)O)CC1 253407998 WZXFTAJENVUDOO-AWEZNQCLSA-N 413.499 3.427 0 40 HGAB biogenic,in-vitro CC(C)CC(=O)N1CCC(Cc2cccc(-c3cncnc3)c2)(C(=O)N(C)C)CC1 257236913 HEHQTSSNHYATEE-UHFFFAOYSA-N 408.546 3.429 0 40 HGAB Cc1ccc2nc(COCC(=O)N3CCC[C@@H]3c3cccc(-n4ccnc4)n3)[nH]c2c1 257312725 UPHAGWMXPZDLGJ-HXUWFJFHSA-N 416.485 3.332 0 40 HGAB CN(C)S(=O)(=O)c1ccccc1CNC(=O)N1CC(C)(C)[C@@H]1c1ccccc1 619296612 UAZXYQOFROGJMV-IBGZPJMESA-N 401.532 3.230 0 40 HGAB COC(=O)c1cc(NC(=O)C2=Cc3ccccc3O[C@@H]2C(F)F)c(O)c(OC)c1 1179886616 NZJKUUFZFPQYTR-KRWDZBQOSA-N 405.353 3.236 0 40 HGAB O=C(N[C@H](c1ccccc1)c1nn[nH]n1)c1ccn(-c2ccc(Cl)cc2Cl)n1 678579590 POYAZMGTNVZWRC-MRXNPFEDSA-N 414.256 3.212 0 40 HGAB C[C@H]1CCCN(C[C@@H]2CC3(CCN(S(=O)(=O)Cc4ccccc4)CC3)CO2)C1 585104250 OSIPRLPMLDMORB-FPOVZHCZSA-N 406.592 3.119 0 40 HGAB Cc1nc(/C=C/C(=O)N2CCC[C@@H]2c2nccnc2Nc2ncccc2C)cs1 585291838 UFABNZWPXTZVBC-IWAYRVGRSA-N 406.515 4.065 0 40 HGAB O[C@@]1(COc2ccccc2)CCCN(Cc2cccc(OCCn3cccn3)c2)C1 585271519 AIMJEYQEHINWBN-DEOSSOPVSA-N 407.514 3.368 0 40 HGAB CN1CCN(CC(=O)N2CC3(CCOCC3)c3cc(-c4cccc(F)c4)ccc32)CC1 585105889 WQNYHGSJJVFYTD-UHFFFAOYSA-N 423.532 3.135 0 40 HGAB Cn1ccnc1SCC(=O)NC1(c2cccc(Br)c2)CCOCC1 65936169 LWPCKEKJBZGJOD-UHFFFAOYSA-N 410.337 3.097 0 40 HGAB CCOCCCNc1ncc(-c2cc(C)no2)c(-c2ccc(N3CCOCC3)nc2)n1 72337573 VHTHBLDLNPREEX-UHFFFAOYSA-N 424.505 3.177 0 40 HGAB COc1ccc2c(c1)CN(C(C)=O)C[C@@H]([C@@H]1CCCN(Cc3ccncc3C)C1)O2 12135348 NWGAKYWNWYAROQ-YKSBVNFPSA-N 409.530 3.420 0 40 HGAB Cn1ccnc1C(=O)c1ccc(NC(=O)CCCNC(=O)c2ccc(Cl)cc2)cc1 12506278 CBPBVTLXHWAXPZ-UHFFFAOYSA-N 424.888 3.453 0 40 HGAB CN(CCNC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1)c1ccccc1 12613449 ZTZWETZOZXDVKR-UHFFFAOYSA-N 409.511 3.354 0 40 HGAB COc1cc(NC(=O)[C@H](C)Sc2nnc(NC[C@H]3CCCO3)s2)cc(OC)c1 14676470 HSRIJTQQVBMGAY-WCQYABFASA-N 424.548 3.266 0 40 HGAB CC(=O)c1ccc(N2CCN(C(=O)NCCOc3ccc(Cl)cc3)CC2)cc1 17114108 WCXLJYIZRSGBJV-UHFFFAOYSA-N 401.894 3.453 0 40 HGAB C[C@@H]1CCCC[C@H]1NC(=O)CN1CC2(CCOCC2)Oc2ccc(Cl)cc2C1=O 19496191 YIJLTFNTMUWTKW-CRAIPNDOSA-N 420.937 3.419 0 40 HGAB Cc1nc(NC(=O)CCC(=O)N2CCC[C@@H](C(=O)N3CCCCCC3)C2)sc1C 19560797 FAARBRYUFCEMDA-QGZVFWFLSA-N 420.579 3.120 0 40 HGAB Clc1ccc(-c2nc(N3CCN(c4ncccn4)CC3)ncc2-c2ncc[nH]2)cc1 12221944 XBMJAEVMRFFQNF-UHFFFAOYSA-N 418.892 3.304 0 40 HGAB O=C(N[C@H](Cc1ccsc1)c1nccs1)[C@H]1CC(=O)N(Cc2cccnc2)C1 19338816 LHOYXBVKSVQAQF-DLBZAZTESA-N 412.540 3.048 0 40 HGAB C[C@H](NC(=O)CCc1nc2ccccc2[nH]1)c1cc(F)ccc1N1CCN(C)CC1 588217781 JTSXVSFHRYJULJ-INIZCTEOSA-N 409.509 3.264 0 40 HGAB CC(C)(C)c1ccc(N2C[C@@H]3CN(C(=O)Cc4noc5ccccc45)C[C@H]3C2)nn1 1889224925 JQRJMESNHUSTCN-HZPDHXFCSA-N 405.502 3.053 0 40 HGAB O=C1COC[C@]2(CCN(C3CCN(c4ccccc4)CC3)C2)CN1c1ccccc1 2037985650 QZZVKWWKTSNQSR-VWLOTQADSA-N 405.542 3.411 0 40 HGAB O=C(CCCCCn1c(=O)[nH]c2ccccc2c1=O)NCCc1c[nH]c2ccccc12 2952041 FQKWMQPOAUZANS-UHFFFAOYSA-N 418.497 3.090 0 40 HGAB CCS(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCCCC3)cc1 5241797 NVAKBQVHYBPBJB-UHFFFAOYSA-N 406.529 3.162 0 40 HGAB O=C(Nc1nc(-c2cccnc2)cs1)[C@@H]1CCCN1S(=O)(=O)c1cccs1 10186956 JBKBSLSVJLKUBJ-AWEZNQCLSA-N 420.541 3.058 0 40 HGAB Cc1ccc(-n2ncc3c(=O)n(NC(=O)c4cccc(C(F)(F)F)c4)cnc32)cc1 10251520 OSCIWPNTLXQNEM-UHFFFAOYSA-N 413.359 3.293 0 40 HGAB CC(=O)Nc1ccc(NC(=O)c2cc(=O)c(OCc3ccc(F)cc3)cn2C)cc1 12167067 WFAADMOLAWEHDM-UHFFFAOYSA-N 409.417 3.314 0 40 HGAB Cc1ccccc1-c1noc(Cn2cnc3c(nnn3-c3cccc(Cl)c3)c2=O)n1 16843157 WRDODXZMVSEWNX-UHFFFAOYSA-N 419.832 3.037 0 40 HGAB CCc1nc2sc([C@@H](c3cccc(OC)c3)N3C[C@H](C)O[C@H](C)C3)c(O)n2n1 22854389 JXXKXCCXVHPUAS-IIYDPXPESA-N 402.520 3.266 0 40 HGAB O=C1CCC(=O)N1C1C[C@@H]2CC[C@H](C1)N2C(=O)CCc1ccccc1Br 238814568 BDIFSMHAKGEQGO-XYPWUTKMSA-N 419.319 3.053 0 40 HGAB COc1ccc([C@@H](C)N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)OCc3ccccc3)[C@H]4C2=O)cc1 5163910 IWQFKCBKKFOHQE-RJNWRNKZSA-N 419.477 3.282 0 40 HGAB CCOc1ccc(N2C[C@@H](C(=O)N[C@H](c3ccccc3)c3nccn3C)CC2=O)cc1 29070908 IFQJYQVFCGKHEF-PGRDOPGGSA-N 418.497 3.078 0 40 HGAB Cc1ccc(N2C(=O)/C(=C/NN3CCCC[C@H]3c3cccnc3)C(=O)N=C2S)cc1 1245920 LYPRZQFFNFKLBW-ZSFFSCSXSA-N 421.526 3.165 0 40 HGAB C[C@@H]1CN(c2ccc(C(=O)Nc3ccc(C(=O)N4CCCC4)cc3)cn2)C[C@@H](C)O1 40087698 MAQBOVNMWCNNPE-IAGOWNOFSA-N 408.502 3.184 0 40 HGAB C[C@@]12CCC(=O)N1[C@@H](C(=O)NCCc1ccc(OCc3ccccc3)cc1)CS2 40122124 LDWGHQDDFVINDN-NFBKMPQASA-N 410.539 3.378 0 40 HGAB Cc1cc(N2CCN(C)CC2)ccc1NC(=O)N(C)CCOc1ccccc1F 40103802 SUEJPMLNDGLILL-UHFFFAOYSA-N 400.498 3.429 0 40 HGAB COc1c2c(cc3c1[C@H](CC(=O)CCc1ccc4c(c1)OCO4)N(C)CC3)OCO2 20113172 NFMATBVNUCRACD-KRWDZBQOSA-N 411.454 3.274 0 40 HGAB biogenic Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)c1ccc(C(C)C)cc1 6984038 XNCCZRXWAIIKSH-IBGZPJMESA-N 403.548 3.255 0 40 HGAB CC1CCN(C(=O)CSc2nc(N)c3c4c(sc3n2)COC(C)(C)C4)CC1 2413806 QMGKBTRWYLQDRV-UHFFFAOYSA-N 406.577 3.475 0 40 HGAB O=C(Cc1ccccc1)NN1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 825767 HTKNIUAFTGPBAF-SNDHGLFQSA-N 408.457 3.153 0 40 HGAB CC(=O)Nc1cccc(C(=O)OCC(=O)Nc2ccc(Br)cc2F)c1 3461849 QUSPIGJSAGNIEW-UHFFFAOYSA-N 409.211 3.342 0 40 HGAB COc1ccc(-c2ccc(=O)n(CC(=O)Nc3cnc4ccccc4c3)n2)cc1OC 4859030 QOIRQDOYWXMHMH-UHFFFAOYSA-N 416.437 3.114 0 40 HGAB COc1ccc(Cl)cc1N(CC(=O)Nc1c(F)cccc1F)S(C)(=O)=O 6441645 FGNCOYBJYOWNND-UHFFFAOYSA-N 404.822 3.032 0 40 HGAB CC1CCN(Cc2nc3ccccc3n2Cc2nc3ccccc3n2CC(N)=O)CC1 7467422 IDYPMEGKUVTTKL-UHFFFAOYSA-N 416.529 3.152 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCN(C(=S)Nc3ccc(Cl)cc3)CC2)cc1 7637752 CYPAYWUITUUOGE-UHFFFAOYSA-N 409.964 3.352 0 40 HGAB Cc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccccc3C)CC2=O)cc1Cl 8433767 DSFAYQYGVZHOMX-HNNXBMFYSA-N 400.862 3.492 0 40 HGAB COc1ccc(N([C@@H](C)C(=O)Nc2ccccc2F)S(C)(=O)=O)cc1Cl 10313914 UFTRDTCDOPLTIE-NSHDSACASA-N 400.859 3.281 0 40 HGAB Cc1nc(C(=O)N2CCC[C@@H](c3nnc4n3CCCCC4)C2)nn1-c1ccc(F)cc1 32760607 JUTHVPPFXDVCCI-MRXNPFEDSA-N 423.496 3.053 0 40 HGAB C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)CSc3ccccc3)cc2)C[C@H](C)O1 10646743 ILFJRJZLRVEHMR-HOTGVXAUSA-N 420.556 3.215 0 40 HGAB CCc1ccc(-c2nn(C)c(=O)c3c2CCCC3)cc1S(=O)(=O)NC1CCCC1 46027639 AOANYANKNZDHAF-UHFFFAOYSA-N 415.559 3.109 0 40 HGAB O=C1[C@@H]2[C@H](C(=O)N1c1ccc(Cl)c(F)c1)[C@H](c1ccc(F)cc1)N1CCCN21 100876367 WNFVFUSZNAITIF-SQNIBIBYSA-N 403.816 3.154 0 40 HGAB Cc1ccc(OCCNC(=O)C[C@H](NC(N)=O)c2cccc(Br)c2)cc1 32999709 MMRPTHZUDJYEMC-KRWDZBQOSA-N 420.307 3.052 0 40 HGAB Cc1cccc(NC(=O)CN(c2cc(C)on2)S(=O)(=O)c2ccc(Cl)nc2)c1 32906132 FSFLRDGUELKEDD-UHFFFAOYSA-N 420.878 3.174 0 40 HGAB COc1ccc(OCc2nnc(SCC[S@](=O)c3ccccc3)n2C)cc1 32931536 CMQIGHWQUYTOCX-HHHXNRCGSA-N 403.529 3.303 0 40 HGAB CN(CC(=O)Nc1nc2ccc(F)cc2s1)S(=O)(=O)c1ccc(Cl)cc1 2630702 NYABCCQKOLQGOX-UHFFFAOYSA-N 413.883 3.348 0 40 HGAB CSc1ccc(S(=O)(=O)NCCCOC(C)C)cc1C(=O)N1CCCCC1 26116479 APKPTQSDODJGAP-UHFFFAOYSA-N 414.593 3.128 0 40 HGAB COc1cc(C(=O)NC(=S)Nc2c(C)ccc3nsnc23)cc(OC)c1OC 59438266 CZLBEIAWQDDYIJ-UHFFFAOYSA-N 418.500 3.152 0 40 HGAB Cc1cc(C(=O)O[C@H](C)C(=O)Nc2ncnc3nc[nH]c23)c(C)n1Cc1ccccc1 22187830 BPMUEOSHEOSNFR-OAHLLOKOSA-N 418.457 3.004 0 40 HGAB O=C(c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1)N1CCC[C@H]1c1cccs1 22699942 QBNCXTFZXCKNFJ-AEFFLSMTSA-N 420.556 3.183 0 40 HGAB Cc1cccc(C(=O)N2CCN(Cc3nc4sc5c(c4c(=O)[nH]3)CCCC5)CC2)c1 15475362 RGCYVTUAJWQMRI-UHFFFAOYSA-N 422.554 3.130 0 40 HGAB CCc1ccc(N(CCCC(=O)Nc2cccc(C(=O)OC)c2)S(C)(=O)=O)cc1 113962459 DMCPJIJZTPGXSI-UHFFFAOYSA-N 418.515 3.221 0 40 HGAB COCC(=O)N[C@H]1CC[C@]2(C)CC[C@@H]([C@H](C)C(=O)NC3CCCCC3)[C@H](O)[C@H]2[C@@H]1C 20466780 AVPRHXKBNPWLFP-SICCFQPGSA-N 422.610 3.026 0 40 HGAB biogenic,in-vitro CCCCc1ccc(NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)N(C)C)cc1 20245339 UWEIEBVCVSEJMV-UHFFFAOYSA-N 407.511 3.420 0 40 HGAB Cc1oc2c3c(ccc2c(=O)c1-c1ccccc1)OCN([C@H]1CCS(=O)(=O)C1)C3 12442546 CIVUAQJCRPXSFQ-INIZCTEOSA-N 411.479 3.107 0 40 HGAB biogenic Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)[C@H]1CCCN1C(=O)c1ccco1 57464406 WMNIKOVQDGURTG-HXUWFJFHSA-N 406.486 3.345 0 40 HGAB CC(C)(C)C(=O)COC(=O)c1ccccc1NCc1ccc(N2CCOCC2)nc1 12562932 JOCIRPRJRUTART-UHFFFAOYSA-N 411.502 3.302 0 40 HGAB CC(=O)c1cc2c(cc1NC(=O)CSc1nnc(-c3ccoc3C)o1)OCO2 7196406 CWVUKLUFWNROGW-UHFFFAOYSA-N 401.400 3.300 0 40 HGAB O=C(CSc1nnc(C2CC2)n1C1CC1)N1CCN(c2ccccc2F)CC1 7105647 GPFWGGUZYGNUPZ-UHFFFAOYSA-N 401.511 3.070 0 40 HGAB COc1ccccc1[C@@H](C)NC(=O)NCc1ccc(CS(=O)(=O)NC(C)C)cc1 10213148 XFKHYVDSIRPYQQ-MRXNPFEDSA-N 419.547 3.083 0 40 HGAB CC1(C)C(=O)Nc2ccccc2N1C(=O)COC(=O)c1ccc2ccccc2c1O 10492653 BSXSRCCWQLDYNC-UHFFFAOYSA-N 404.422 3.466 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC(=O)Nn2cnc3ccccc32)cc1 10402478 YLUUZIUHFJMMRP-OAHLLOKOSA-N 415.519 3.081 0 40 HGAB COC(=O)c1ccc(CN2C(=O)N[C@](C)(c3cccc(Br)c3)C2=O)cc1 3370037 SQLCHNGVICMTBF-LJQANCHMSA-N 417.259 3.203 0 40 HGAB CCN(CC)[C@H](CNC(=O)CCCNC(=O)c1cccs1)c1cccc(OC)c1 12749485 FJGUWUSJECOTDQ-LJQANCHMSA-N 417.575 3.466 0 40 HGAB Cc1cc(C(=O)N2CCN(C(=O)Nc3cccc(Oc4cnccn4)c3)CC2)c(C)o1 48333262 JZLHTHMUYGYSFM-UHFFFAOYSA-N 421.457 3.469 0 40 HGAB Cc1cc(Br)ccc1NC(=O)CNC(=O)c1cc2c(C)nn(C)c2s1 12869490 ZQIDPORUVUEALB-UHFFFAOYSA-N 421.320 3.383 0 40 HGAB Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)NCCc1ccc(C(F)(F)F)cc1 12899937 FRBDZZNJGKQQFG-UHFFFAOYSA-N 414.449 3.237 0 40 HGAB COc1cc2c(cc1OC)CN(C(=O)Cc1c(C)c3c(O)cc(C)cc3oc1=O)CC2 12899028 XRPVGDKAMMZURW-UHFFFAOYSA-N 423.465 3.260 0 40 HGAB biogenic C[C@@]1(NC(=O)c2cc(-c3ccco3)n(-c3ccc(Cl)cc3)n2)CCS(=O)(=O)C1 12813474 NRYOXUWQFYKYHZ-LJQANCHMSA-N 419.890 3.093 0 40 HGAB C[C@@]12CCC(=O)N1[C@H](C(=O)OCC(=O)c1ccc3c(c1)-c1ccccc1C3)CS2 3441826 YFMAAIWMVWNIAG-WMZHIEFXSA-N 407.491 3.438 0 40 HGAB COc1cccc(N2C[C@H](C(=O)Nc3ccc(NC(C)=O)c(Cl)c3)CC2=O)c1 12914441 WBMOABJEAIEARL-CYBMUJFWSA-N 401.850 3.299 0 40 HGAB O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCN(CCOc2ccccc2)CC1 13057463 NBGHHYOSXNFUFI-UHFFFAOYSA-N 414.449 3.091 0 40 HGAB CC(=O)Nc1cccc(NC(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)c1 408621902 PYMZHRUBOAOTHO-UHFFFAOYSA-N 403.504 3.173 0 40 HGAB CCCOc1ccc(C(=O)O[C@@H](C)C(=O)Nc2sccc2C(N)=O)cc1OCC 7635148 HOVHUBNSGFEROA-LBPRGKRZSA-N 420.487 3.219 0 40 HGAB C[C@@H](Sc1nnc(-c2cccnc2)n1N)C(=O)Nc1cccc(C(F)(F)F)c1 6053838 HMBVUWVUQUCETQ-SNVBAGLBSA-N 408.409 3.192 0 40 HGAB COc1ccc(NC(=O)[C@@H]2CCCN2C(=O)CCCc2nc(C(C)C)no2)cc1 49748724 FYNVFAHOHWYOIY-KRWDZBQOSA-N 400.479 3.154 0 40 HGAB Cc1ccccc1CNC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1 64985323 ZQIQXVBRUDSAPR-QFIPXVFZSA-N 422.506 3.268 0 40 HGAB O=C(NS(=O)(=O)c1ccc2c(c1)OCCCO2)c1cc(F)c(Cl)cc1Cl 65552811 DLGNJOBZLFBODL-UHFFFAOYSA-N 420.245 3.413 0 40 HGAB CCOc1ccc(OC[C@H](O)CSc2nnnn2-c2cc(C)ccc2C)cc1 14238276 CHZDEFVDDSIEEM-INIZCTEOSA-N 400.504 3.210 0 40 HGAB CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccccc3)C(=O)N2C(C)C)cc1 4738723 JYUKMZJZZCREOI-LJQANCHMSA-N 423.469 3.438 0 40 HGAB CN(CC(=O)Nc1nc2ccc(F)cc2s1)S(=O)(=O)/C=C/c1ccccc1 6879695 ZJAXINUUOHPPSS-MDZDMXLPSA-N 405.476 3.306 0 40 HGAB COc1ccc(C)cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(F)cc2F)C1 409392580 RQFLRKNGLDIYBU-CQSZACIVSA-N 424.469 3.321 0 40 HGAB COc1ccc(-c2nnc(COC(=O)c3ccc(CN4CCCC4=O)cc3)o2)cc1 18339063 XCFNNVAIJIQGAX-UHFFFAOYSA-N 407.426 3.225 0 40 HGAB Cc1cc(Br)ccc1NC(=O)CN(C)C[C@@H]1COc2ccccc2O1 9052768 OKWWNTRVFDIARH-OAHLLOKOSA-N 405.292 3.468 0 40 HGAB CCCC[C@@H](C(=O)Nc1cnn(Cc2ccc(Cl)cc2)c1)N1CCCS1(=O)=O 89953277 ABTVGEPKWXYVNE-SFHVURJKSA-N 424.954 3.118 0 40 HGAB COc1ccc(Cl)cc1S(=O)(=O)N(CC(=O)N1CCCC1)Cc1ccccc1 9227535 DSIGXDYNLPITKV-UHFFFAOYSA-N 422.934 3.162 0 40 HGAB CCOc1ccccc1NC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1C 9225989 RCKFVDYGEYCISG-UHFFFAOYSA-N 418.515 3.196 0 40 HGAB CCc1oc2ccccc2c1CN(C)Cn1nc(C(=O)NC)c2ccccc2c1=O 9384555 KMPPVRCMHYVSNM-UHFFFAOYSA-N 404.470 3.154 0 40 HGAB CCOC(=O)C1CCN(C(=O)CSc2nnc(Nc3ccccc3F)s2)CC1 9403334 MSOZFXQIQCKHMO-UHFFFAOYSA-N 424.523 3.315 0 40 HGAB CCOc1cccc(N(CC(=O)NCCCc2ccccc2Cl)S(C)(=O)=O)c1 22400979 MIUFCMNDMMXNAW-UHFFFAOYSA-N 424.950 3.254 0 40 HGAB CC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1NC(=O)C=C1CN(C(=O)OC(C)(C)C)C1 95444725 MVIWNPCBGXDBEP-CVEARBPZSA-N 409.527 3.116 0 40 HGAB CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C1(CC)CCCC1 84735395 VASDYUCHZYAINA-UHFFFAOYSA-N 410.536 3.015 0 40 HGAB O=C(CCNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)NC1CCCCC1 22696495 ANWXBGDKWXLKPA-UHFFFAOYSA-N 412.861 3.476 0 40 HGAB CCOc1ccc(S(=O)(=O)N(CC(=O)NCC(C)C)Cc2ccccc2)cc1 408620848 MMEFCCUGJOQYJL-UHFFFAOYSA-N 404.532 3.048 0 40 HGAB COc1ccc([C@@H](C)NC(=O)CN(c2cccc3ccccc23)S(C)(=O)=O)cc1 30754210 XTMBYVWADJRLIY-MRXNPFEDSA-N 412.511 3.492 0 40 HGAB Cn1c(SCC(=O)NCc2ccccc2)nnc1-c1ccc2c(c1)OCCCO2 33087504 UFDLUXJZYBYRAJ-UHFFFAOYSA-N 410.499 3.052 0 40 HGAB Cc1ccc([C@@H](CNC(=O)c2cc(S(C)(=O)=O)cc(C)c2C)N2CCCC2)o1 535409284 QFEJKIDYRDQPBX-LJQANCHMSA-N 404.532 3.175 0 40 HGAB COc1ccc(-c2cnc(N)nc2[C@@H]2CCCN2C(=O)COc2ccccc2)cc1 72354706 NVOGCMURCOAMRP-FQEVSTJZSA-N 404.470 3.477 0 40 HGAB Cc1ccc(C(=O)C[C@]2(O)C(=O)N(Cc3ccc4c(c3)OCO4)c3ccccc32)o1 72193838 YPFHADIDIKDODL-HSZRJFAPSA-N 405.406 3.324 0 40 HGAB O=C(NCc1ccn(Cc2ccccc2)n1)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 556482258 TUVSSMZBQHMVBS-HXUWFJFHSA-N 417.513 3.492 0 40 HGAB Cc1ccc(CN2CCCN(C(=O)c3ccc(Cn4ccccc4=O)o3)CC2)cc1 40087008 IYYAFVPGENKKHI-UHFFFAOYSA-N 405.498 3.146 0 40 HGAB CN(C)C(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CN(C(=O)C2CCC2)CCO1 72389245 RUZUUSQGFVCLME-QHCPKHFHSA-N 412.555 3.444 0 40 HGAB O=C1[C@@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C(=O)N1CN(C(=O)C(F)(F)F)c1ccc(Cl)cc1 226400753 BMFUNSUHUHFQAF-YTQIUSBHSA-N 424.806 3.246 0 40 HGAB CC(C)(C)CNC(=O)C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 226096495 DTDHONVXURCTEA-UHFFFAOYSA-N 417.369 3.012 0 40 HGAB CN(CCNC(=O)c1cccc(N(C)S(=O)(=O)c2ccccc2)c1)c1ccccc1 222536655 NYHPWCQREAFVBO-UHFFFAOYSA-N 423.538 3.378 0 40 HGAB Cc1ccc(Cl)cc1NC(=O)COc1ccc(S(=O)(=O)NC2CC2)cc1C 223053789 BTTIVDKBCMTQGC-UHFFFAOYSA-N 408.907 3.415 0 40 HGAB Cc1ccccc1OC[C@@H](C)NC(=O)CCCN(c1ccccc1F)S(C)(=O)=O 222660868 DWRNLABKPPVCCD-QGZVFWFLSA-N 422.522 3.264 0 40 HGAB O=C(NC1CCCC1)c1c(NC(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C(=O)O)sc2c1CCC2 225764543 FNWMSRZQROUHPP-HJSHSUPBSA-N 414.527 3.371 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N2c3ccccc3C[C@@H]2C)cc1 222745743 FSGULPZQWHPIOX-INIZCTEOSA-N 402.516 3.074 0 40 HGAB CCN(c1cc(C(=O)OC)ccc1Cl)S(=O)(=O)c1ccc(OC)c(F)c1 225115341 SOALZDNHJFYNSK-UHFFFAOYSA-N 401.843 3.490 0 40 HGAB COC(=O)c1ccc(OC)c(S(=O)(=O)NCc2cncc(-c3cccs3)c2)c1 225669408 NLJVBYJRHKICJC-UHFFFAOYSA-N 418.496 3.084 0 40 HGAB Cc1cc(S(=O)(=O)NCc2nn(C)c(=O)c3ccccc23)c(Cl)cc1Cl 77099392 JCOMZNASSILDQZ-UHFFFAOYSA-N 412.298 3.027 0 40 HGAB C[C@@H](C(=O)Nc1ccc(Br)cc1)N(c1cccc(F)c1)S(C)(=O)=O 220465405 TWTSLAJQJUECHC-NSHDSACASA-N 415.284 3.381 0 40 HGAB O=C(Nc1cccc(F)c1)[C@@H]1CN(C(=O)Cc2ccsc2)CC12CCOCC2 96241090 HEWVLTCZYZWHPT-SFHVURJKSA-N 402.491 3.324 0 40 HGAB COc1ccc(CN2C(=O)N[C@@H](CCC(=O)Nc3ccc4c(ccn4C)c3)C2=O)cc1 96222939 JMMTWTVJBIJMOK-IBGZPJMESA-N 420.469 3.026 0 40 HGAB biogenic COc1cccc(CNC(=O)[C@@H]2[C@@H]3CC[C@@]4(CC(=O)c5ccccc5O4)[C@H]32)c1OC 248155773 YYNWUEYAZSSTND-IAPYZZODSA-N 407.466 3.380 0 40 HGAB O=C(CCc1nc(O)c2ccccc2n1)N1CCCN(CCCc2ccccc2)CC1 585731921 POGKKNHSKMLKGK-UHFFFAOYSA-N 418.541 3.435 0 40 HGAB CC[C@@H](C)CN1C[C@H]2C(=O)NC3(CCN(C(=O)C4(c5ccc(C)cc5)CC4)CC3)[C@H]2C1 585106077 JFTCOAYOUIRCBQ-QIJUGHKUSA-N 423.601 3.112 0 40 HGAB C[C@@H](NC(=O)c1ccccc1Cl)C(=O)NC[C@H]1CCN(c2ccc(F)cc2)C1 57064857 GBZUHCBBOFYDEP-HUUCEWRRSA-N 403.885 3.240 0 40 HGAB Cc1cccc(CN2CCC3(CC2)C[C@@]2(CO3)NC(=O)c3cc(Cl)ccc3N2)n1 72325604 HDZFWKBFWWUSNE-QFIPXVFZSA-N 412.921 3.350 0 40 HGAB O=c1c(CN2CCC3(CC2)Nc2ccccc2C2=NCCN23)coc2ccccc12 72327143 ZEJSNZBQTGRPAG-UHFFFAOYSA-N 400.482 3.273 0 40 HGAB CC(C)NC(=O)NCc1ccc(C(=O)O[C@@H](C)c2nc3ccccc3c(=O)[nH]2)cc1 5185750 LDLUIYXACSRFEI-AWEZNQCLSA-N 408.458 3.049 0 40 HGAB COc1ccccc1[C@H]1C[C@H](C(F)(F)F)n2ncc(C(=O)NC[C@@H]3CCCO3)c2N1 12848762 YBFDBWQYYDGDSB-XGWLTEMNSA-N 424.423 3.461 0 40 HGAB COc1cc(C(=O)Nc2cccc3ccccc23)ccc1OCC(=O)N1CCOCC1 14429040 BGWQRYXSUYNIPZ-UHFFFAOYSA-N 420.465 3.338 0 40 HGAB O=C(C[C@@H]1NC(=O)N(C2CCCCC2)C1=O)Nc1ccccc1CN1CCCCC1 19349072 RQGCNWJNZUOCTJ-FQEVSTJZSA-N 412.534 3.254 0 40 HGAB O=C(CCc1ccccc1)N1CCC(c2cc(C(F)(F)F)n3ncnc3n2)CC1 19370677 FVEOYOVPHAFXOO-UHFFFAOYSA-N 403.408 3.482 0 40 HGAB C[C@H](Cn1cncn1)C(=O)N[C@H](CCc1ccccc1)c1ccc2c(c1)OCCO2 19457842 XPNAKSLQOVKOLN-YLJYHZDGSA-N 406.486 3.176 0 40 HGAB CN(C)c1ncc(-c2ccc(Cl)cc2)c([C@@H]2CCCN(C(=O)Cn3cccn3)C2)n1 19694247 BMDCTZPPYKNRCE-QGZVFWFLSA-N 424.936 3.466 0 40 HGAB CCn1cc(CN(C)C(=O)C2CCC3(CC2)CN(C)C(=O)c2ccccc2O3)c(C)n1 19524496 LLWGJDYCDXSXSS-UHFFFAOYSA-N 424.545 3.263 0 40 HGAB O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)c1cc(Cl)c2c(c1)OCCO2 23561605 RNCMZRJOQABVSB-SFHVURJKSA-N 420.868 3.054 0 40 HGAB CC(C)[C@@H](NC(=O)Cc1ccccc1)C(=O)N1CCN(C/C=C/c2ccccc2)CC1 23718334 IYNFRXLKBCLIMX-FFODHNNBSA-N 419.569 3.228 0 40 HGAB O=C(/C=C/c1ccc2c(c1)CCO2)N1CCN(c2ccc(Br)cn2)CC1 28027228 XLDOBHZQZISSEG-QHHAFSJGSA-N 414.303 3.141 0 40 HGAB CCn1nc(C)c(CN2CCC[C@@]3(CC2)CN(c2cccc(F)c2)C(=O)CO3)c1C 2037989021 RSWFQLQQSVZVIM-HSZRJFAPSA-N 414.525 3.447 0 40 HGAB CC(C)c1ccc(NC(=O)c2cn(C)c3c(=O)n(-c4ccccc4)c(=O)[nH]c23)cc1 9659551 KTFMTYDSPDUGNY-UHFFFAOYSA-N 402.454 3.393 0 40 HGAB O=C(Cn1c2c(c(=O)n(C3CCCCC3)c1=O)CCC2)Nc1cccc(Cl)c1 11695867 GMWBIPGLQUOBLY-UHFFFAOYSA-N 401.894 3.296 0 40 HGAB Cc1ccc(OCC(=O)Nc2cc(-c3ccco3)nn2-c2nc(C)c(C)c(=O)[nH]2)cc1 12008325 YZGSLTUUALANKG-UHFFFAOYSA-N 419.441 3.158 0 40 HGAB CCc1cccc2sc(N(CCN3CCOCC3)C(=O)c3ccn(CC)n3)nc12 13702329 XCIRPSMJCLPRQH-UHFFFAOYSA-N 413.547 3.054 0 40 HGAB COc1ccc(/C=C/C(=O)NCC2CCN(C(=O)/C=C/c3ccco3)CC2)cc1OC 44002141 LYPMYFXSAWWJJT-KZZDLZNXSA-N 424.497 3.378 0 40 HGAB Cn1cc(-c2ncccc2CNS(=O)(=O)Cc2cccc(C(F)(F)F)c2)cn1 585150047 AXIQWLNCXMEFQS-UHFFFAOYSA-N 410.421 3.121 0 40 HGAB CCc1nc2sc([C@H](c3ccc(Cl)cc3)N3CCN(CC)CC3)c(O)n2n1 22578028 KKVMNPBABXWCIA-INIZCTEOSA-N 405.955 3.439 0 40 HGAB COc1cc(CC(=O)Nc2cccc(OCCn3cccn3)c2)cc(OC)c1OC 40134868 ZNJNVTYYQBAMCN-UHFFFAOYSA-N 411.458 3.169 0 40 HGAB COc1cc(OC)c(C(=O)Nc2ccc(NC(=O)Cn3cccn3)c(C)c2)cc1OC 40155039 LCFNOFXAOPWZFC-UHFFFAOYSA-N 424.457 3.108 0 40 HGAB CCOC(=O)c1ccc2nc(NC(=O)c3ccc(N4C(=O)CCC4=O)cc3)sc2c1 1058365 HOQOUTFOMMSUJH-UHFFFAOYSA-N 423.450 3.379 0 40 HGAB Cc1nnc2sc(-c3ccccc3NC(=S)NC(=O)Cc3ccccc3)nn12 2197374 HAOFUVWJBCKXOB-UHFFFAOYSA-N 408.512 3.217 0 40 HGAB CN(CCCn1c(=S)[nH]c2ccc(N3CCOCC3)cc2c1=O)Cc1ccccc1 2976060 KMXJQFIWLWMRQL-UHFFFAOYSA-N 424.570 3.418 0 40 HGAB C[C@H](Nc1ccc(I)cc1)C(=O)Nc1ccc2c(c1)OCO2 3377338 CFWUBGUTWVBRRP-JTQLQIEISA-N 410.211 3.459 0 40 HGAB C[C@@H]1CN(C(=O)CSc2nnc(-c3ccncc3)n2-c2ccccc2)C[C@@H](C)O1 3506055 WLQVDDZRPISVKF-HZPDHXFCSA-N 409.515 3.057 0 40 HGAB COC(=O)c1c(NC(=O)c2nc3ccccc3s2)sc2c1CCN(C(C)=O)C2 4275155 VFPONPAEUBTKFX-UHFFFAOYSA-N 415.496 3.301 0 40 HGAB CNC(=O)CSc1nc2ccccc2c(=O)n1-c1cc(C)c(Cl)cc1OC 4371382 YXXBKQGPOJLXHP-UHFFFAOYSA-N 403.891 3.194 0 40 HGAB COc1cccc(C(=O)Oc2coc(CSc3nccc(C)n3)cc2=O)c1OC 4377222 ZERBIBNERKLEPZ-UHFFFAOYSA-N 414.439 3.267 0 40 HGAB CCCCC(=O)Oc1coc(CSc2nnc(NC(=O)C3CC3)s2)cc1=O 4496110 MLPBJYHYIKLGQE-UHFFFAOYSA-N 409.489 3.228 0 40 HGAB COc1cc([C@H]2SC[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)N32)cc(OC)c1OC 4520144 GOUCEYWELNWZIR-AUUYWEPGSA-N 418.446 3.434 0 40 HGAB O=C(Cn1ccn(-c2cccc3ccccc23)c(=O)c1=O)Nc1ccc(Cl)cc1 4570058 QESFYMJEQDIVND-UHFFFAOYSA-N 405.841 3.445 0 40 HGAB COc1ccc(NC(=S)N2[C@H]3CCC[C@@H]2CC(NC(=O)C2CC2)C3)c(OC)c1 4857462 YVGKUMOHNNPYFF-MQVJKMGUSA-N 403.548 3.312 0 40 HGAB CCOC(=O)C(=O)Nc1nc(-c2ccc3c(c2)CCN3C(=O)[C@H](C)CC)cs1 4894163 YCVCZESBUSBGML-GFCCVEGCSA-N 401.488 3.247 0 40 HGAB CCn1c(CC(=O)Nc2ccccc2)nnc1SCC(=O)N[C@@H]1CCCC[C@@H]1C 6356557 UQHVRDJVTRQKEB-DOTOQJQBSA-N 415.563 3.266 0 40 HGAB CC(=O)N/C(=C/c1ccccc1)C(=O)OCC(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2 6408817 CAYHWTMJZDSYLP-JDYGIPQQSA-N 424.541 3.428 0 40 HGAB CCCOc1ccc(C(=O)N(Cc2cccc(OC)c2)[C@H]2CCS(=O)(=O)C2)cc1 6810911 FCTTXZRTSBXXSK-IBGZPJMESA-N 417.527 3.314 0 40 HGAB CCc1nnc2n1N[C@H](c1ccc(OC)cc1)[C@@H](C(=O)Nc1ccc(F)cc1)S2 6811994 XEXRJBHKAATYHG-MSOLQXFVSA-N 413.478 3.386 0 40 HGAB COc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)N[C@H](C)c2cccs2)cc1 7987706 UMXNUKDQQZKBSL-RHSMWYFYSA-N 410.561 3.327 0 40 HGAB C[C@H](OC(=O)c1cc(-c2ccccc2)c(N2CCOCC2)s1)C(=O)NC1CC1 7998545 AKMLTXQVRAVYTM-AWEZNQCLSA-N 400.500 3.076 0 40 HGAB CCC(C)(C)n1nnnc1[C@H](c1cc2ccc(OC)cc2[nH]c1=O)N1CCCCC1 8579555 XMZPAKWBFPSJPZ-IBGZPJMESA-N 410.522 3.244 0 40 HGAB Cn1nc(-c2ccco2)cc1[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)NCc1ccccc1 8635417 GEPDTGBIOYZFDX-ZCNNSNEGSA-N 419.529 3.357 0 40 HGAB biogenic,in-vitro Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1S(=O)(=O)N1CCCCC1 8710336 GQJRABRXCYFOMZ-UHFFFAOYSA-N 412.508 3.110 0 40 HGAB CN1CCN(c2ccc(NC(=O)Cc3cc(Cl)c4c(c3)OCCO4)cc2)CC1 10237663 TZJUCSLDBMEMIX-UHFFFAOYSA-N 401.894 3.044 0 40 HGAB NS(=O)(=O)c1ccc(C(=O)OCc2csc(-c3ccccc3Cl)n2)cc1 11038953 XQTGQHVSJXOPQO-UHFFFAOYSA-N 408.888 3.468 0 40 HGAB CC[C@H](C)NC(=O)CN1C(=O)[C@H](CC)Oc2ccc(C(=O)c3cccs3)cc21 12242024 OHGUNZIVYYCIOD-BBRMVZONSA-N 400.500 3.398 0 40 HGAB CCOC(=O)CN(C(=O)CSc1nnc2c(n1)[nH]c1ccccc12)c1ccccc1 12495818 RTPQZERMJDOKIW-UHFFFAOYSA-N 421.482 3.195 0 40 HGAB CCn1c(=S)n(CN2CCc3cc(S(=O)(=O)N(C)C)ccc32)c2ccccc21 12522781 WJNHYGSMECDIIZ-UHFFFAOYSA-N 416.572 3.463 0 40 HGAB O=S(=O)(c1ccccc1Cl)N1CCN(Cc2ccc(-n3ccnc3)cc2)CC1 12547409 MSCFNFDZGLIBAF-UHFFFAOYSA-N 416.934 3.032 0 40 HGAB O=C([C@H]1CC(=O)N(c2ccc(Br)cc2)C1)N1CCc2sccc2C1 12740657 SCHSZQVTJRPQCZ-ZDUSSCGKSA-N 405.317 3.448 0 40 HGAB COC(=O)c1ccc(NC(=O)[C@@H](C)NC(=O)c2ccc(Br)cc2)s1 12786062 LJOXCBPKHPUBIK-SECBINFHSA-N 411.277 3.054 0 40 HGAB O=C(Nc1ccccc1)[C@H]1CSCN1S(=O)(=O)c1cccc(C(F)(F)F)c1 12854958 SRGQNYLCSAUIID-OAHLLOKOSA-N 416.446 3.408 0 40 HGAB CCOC(=O)C1=NO[C@H](CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)C1 12859384 XDCSTGSSHSWVIM-INIZCTEOSA-N 422.890 3.243 0 40 HGAB Cc1ccccc1CC(=O)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 12907915 SXCRCEYSYGQCAQ-UHFFFAOYSA-N 422.916 3.086 0 40 HGAB COc1cc(C2=N/C(=C\c3cnn(-c4ccccc4)c3)C(=O)O2)cc(OC)c1OC 12915469 PGKHEHBTFURJKG-MFOYZWKCSA-N 405.410 3.243 0 40 HGAB O=c1c2ccccc2cnn1CCc1n[nH]c(=S)n1-c1cccc2ncccc12 13552574 CEGJAFGBLHYBSK-UHFFFAOYSA-N 400.467 3.431 0 40 HGAB Cc1ccnc(SCc2cc(=O)c3c(=O)n(-c4nc5ccccc5s4)[nH]c3[nH]2)n1 13591534 YUDMNAAQLIMKFX-UHFFFAOYSA-N 422.495 3.008 0 40 HGAB Cc1cc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)n(C(C)C)n1 13657083 YNNYPPQJOPVXHV-INIZCTEOSA-N 410.927 3.218 0 40 HGAB Cc1nc2ccccn2c(=O)c1NC(=O)COc1ccc(C(=O)c2ccccc2)cc1 13707483 JCWXCOHEASXFLT-UHFFFAOYSA-N 413.433 3.251 0 40 HGAB CCCOc1ccc(C(=O)N[C@@H](C)c2cccc(S(N)(=O)=O)c2)cc1OCC 14250239 WBBRGVUAKGNRJS-AWEZNQCLSA-N 406.504 3.013 0 40 HGAB CCOCCn1/c(=N\C(=O)c2cccc(S(C)(=O)=O)c2)sc2cccc(F)c21 16689666 KWWVDJSVEVTODQ-XUTLUUPISA-N 422.503 3.023 0 40 HGAB O=C(N[C@H]1CC(=O)N(c2ccc(F)cc2)C1)c1cc(COc2ccccc2F)on1 19663122 LPLXAMXUOOEDBI-AWEZNQCLSA-N 413.380 3.067 0 40 HGAB Cc1cnc(C(=O)N2CCC(c3nc(N(C)C)ncc3-c3cccc(F)c3)CC2)cn1 19695121 OLMOFUXZRJHSHD-UHFFFAOYSA-N 420.492 3.467 0 40 HGAB CC(=O)Nc1ccc(NC(=O)CCC(=O)N2CCc3[nH]c4ccccc4c3C2)cc1 20763537 LLMWCWJPICJZIE-UHFFFAOYSA-N 404.470 3.430 0 40 HGAB biogenic CCn1c(SCc2nc(-c3ccccc3)no2)nc2cc3c(cc2c1=O)OCO3 21708763 PXOMKYQLORDFCZ-UHFFFAOYSA-N 408.439 3.487 0 40 HGAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CN(c1ccccc1)S(C)(=O)=O 22326640 FTKBLMWTECEKGM-SFHVURJKSA-N 402.516 3.180 0 40 HGAB COC(=O)[C@H](N[C@H]1C(C)=C(C)C(=O)N1Cc1ccc(OC)cc1)c1cccc(OC)c1 23485328 LQSRVDBUUOFYMZ-FGZHOGPDSA-N 424.497 3.212 0 40 HGAB Cc1cc(C)c(OCC(=O)N(C)CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)c(C)c1 24716006 REYQFOUZXYYSTL-SFHVURJKSA-N 423.513 3.213 0 40 HGAB COc1ccc(-c2nc(CN3CCN(CN4CCSC4=O)CC3)cs2)cc1 24972675 TVRDWYTZKPYHMM-UHFFFAOYSA-N 404.561 3.063 0 40 HGAB COc1ccc(C(=O)N2CCN(C(=O)c3cc(F)c(F)cc3Cl)CC2)cc1OC 27163610 HENDFCNJZPNOOG-UHFFFAOYSA-N 424.831 3.234 0 40 HGAB COc1ccc([C@@H](CNS(=O)(=O)c2cccc3cccnc23)N2CCCC2)cc1 28249269 HIVUQFBJHZMBIR-HXUWFJFHSA-N 411.527 3.359 0 40 HGAB COc1cc(OC)c2c(C)c(CC(=O)Nc3nnc(C4CC4)s3)c(=O)oc2c1 31813391 TXOZBPOYMPPGNS-UHFFFAOYSA-N 401.444 3.029 0 40 HGAB O=C1CN([C@@H](C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c2ccccc2)CCN1 34800018 BBCGXCWFJUTQSR-QGZVFWFLSA-N 411.811 3.470 0 40 HGAB CCOC(=O)C[C@H](c1ccc(F)cc1)C1CCN(C(=O)c2cnn(C)c2C)CC1 40071981 UPEUNDQJBFNAKC-LJQANCHMSA-N 401.482 3.457 0 40 HGAB Cc1ccc2ncc(C(=O)NCc3ccc(CN4CCC[C@H](C)C4)cc3)c(=O)n2c1 40108831 NIXQNUAGQAAUDL-KRWDZBQOSA-N 404.514 3.165 0 40 HGAB COC(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(-c3cn4cccnc4n3)c2)c1 40150869 BJMCHHAPXGAZES-UHFFFAOYSA-N 422.466 3.292 0 40 HGAB O[C@@H](COCCOC12CC3CC(CC(C3)C1)C2)CN1CCN(c2ccccc2)CC1 41689846 PNPGRFIEOSNNBJ-CYPZLSGVSA-N 414.590 3.172 0 40 HGAB COc1cc(CNC(=O)C2CCN(Cc3ccc(F)cc3)CC2)cc(OC)c1OC 44917608 YDXOGENVTHPKOX-UHFFFAOYSA-N 416.493 3.380 0 40 HGAB CCOC(=O)c1ccc(NC(=O)CN2CCc3[nH]c4ccc(C)cc4c(=O)c3C2)cc1 48987778 WUNKTTHNHPZRQJ-UHFFFAOYSA-N 419.481 3.010 0 40 HGAB NC(=O)[C@@H]1CCCN(Cc2ccccc2NC(=O)c2cc(-c3ccccc3)[nH]n2)C1 58441016 LZNPGQMLAIHTNU-GOSISDBHSA-N 403.486 3.026 0 40 HGAB COC(=O)c1c(NC(=O)CN2CCN(c3ccccc3)CC2)c2c(C)cccc2n1C 59866378 VIROANVGWOZXFO-UHFFFAOYSA-N 420.513 3.034 0 40 HGAB O=C(c1ccc(F)cc1)c1ccccc1C(=O)N1CCN(C(=O)CC(F)(F)F)CC1 64069025 SIEFLNIZHAQQNE-UHFFFAOYSA-N 422.378 3.294 0 40 HGAB Cc1c(C(=O)COc2coc(CN3CCSCC3)cc2=O)c2ccccc2n1C 71284648 SBNQYZZSPVKHJZ-UHFFFAOYSA-N 412.511 3.250 0 40 HGAB O=C(COc1ccc(F)cc1)N1CCCC[C@@H]1c1ccnc(Nc2cncnc2)n1 72378069 UUWWVRAXDDENSG-LJQANCHMSA-N 408.437 3.282 0 40 HGAB Cc1ccc(CC(=O)N2CCC[C@@H]2CN2Cc3ccccc3OC[C@@H]2CN(C)C)cc1 72394955 KENWIABETVAWCT-RPWUZVMVSA-N 421.585 3.353 0 40 HGAB C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1N(C)C(=O)c1cccc(S(C)(=O)=O)c1 84705646 JFZHDBFDNUFDAW-QZTJIDSGSA-N 414.571 3.319 0 40 HGAB COC(=O)Cn1/c(=N/C(=O)COc2ccc(Cl)cc2)sc2cc(OC)ccc21 100877023 XCDGAOJHEKPOCX-VZCXRCSSSA-N 420.874 3.044 0 40 HGAB CCOC(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccc(NC(C)=O)cc1 113871763 MCBQIHUWMYSUGR-UHFFFAOYSA-N 404.488 3.020 0 40 HGAB CSc1ccccc1NC(=O)C(=O)NCc1ccc([C@H](O)c2ccco2)s1 206687749 LQKKHXWOIYQQOI-QGZVFWFLSA-N 402.497 3.400 0 40 HGAB CC[C@H](C(=O)N[C@@H]1CCCc2ccccc21)N(c1ccc(OC)cc1)S(C)(=O)=O 220656781 NXYXLVPCHHEISP-NHCUHLMSSA-N 416.543 3.434 0 40 HGAB CCc1ccc(CC)c(CNC(=O)CN(Cc2ccccc2F)S(C)(=O)=O)c1 222818024 NPXBSILKWGFSKK-UHFFFAOYSA-N 406.523 3.029 0 40 HGAB COc1ccc(C(=O)Nc2ccc3sncc3c2)cc1S(=O)(=O)NC(C)C 222899678 JNNLRXJWVIWBCQ-UHFFFAOYSA-N 405.501 3.244 0 40 HGAB C[C@H](NC(=O)[C@@H](C)N(c1cccc(F)c1)S(C)(=O)=O)c1ccc2c(c1)CCC2 223236108 RVWUNRSGOGYUSD-LSDHHAIUSA-N 404.507 3.346 0 40 HGAB CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1Cc1ccco1 223647269 SREDBERMGJLNPJ-WOJBJXKFSA-N 410.499 3.060 0 40 HGAB CCN(c1ccc(C(=O)NCCOc2cccc(C)c2C)cc1)S(=O)(=O)CC 223959575 OQQAEUNSGBGAKV-UHFFFAOYSA-N 404.532 3.288 0 40 HGAB CCOC(=O)c1cccc(N(CC)S(=O)(=O)c2ccc3c(c2)OCCO3)c1C 224843968 ZKZISLFXUGTWJQ-UHFFFAOYSA-N 405.472 3.158 0 40 HGAB COc1cccc(N(CC(=O)Nc2ccc(N3CCCCC3)cc2)S(C)(=O)=O)c1 224946477 RHVBFGMSPRHTML-UHFFFAOYSA-N 417.531 3.090 0 40 HGAB O=S(=O)(NC[C@](O)(c1ccco1)c1cccs1)c1ccc(F)c(Cl)c1 225589773 XTCOFALMHGASJZ-INIZCTEOSA-N 401.868 3.348 0 40 HGAB CC(=O)Nc1ccc(NS(=O)(=O)c2ccc3c(c2)sc(=O)n3C(C)C)cc1 225708319 DKYWHNVVFWSOET-UHFFFAOYSA-N 405.501 3.403 0 40 HGAB COc1cccc([C@H](c2ccccc2)N2[C@H]3CC[C@H]2CN(S(C)(=O)=O)CC3)c1 245227278 JHQCDOQATLUCIV-ONTIZHBOSA-N 400.544 3.283 0 40 HGAB Cc1nc(N2CCC(NC(=O)Nc3ccc4c(c3)OCO4)CC2)cc(C(F)(F)F)n1 253472566 NPXCPTQFIAHGCI-UHFFFAOYSA-N 423.395 3.323 0 40 HGAB Cc1ccc(Nc2cc(C)nc([C@H]3CCN(S(=O)(=O)c4cn(C)cn4)C3)c2)cc1 257217587 CZPBOBLGWGEHIW-KRWDZBQOSA-N 411.531 3.354 0 40 HGAB CC1(C)[C@H]2C[C@H]3Oc4c(ccc(O)c4C(=O)NCC4CCCCC4)[C@H](O)[C@@]3(O)[C@@H]1C2 257230719 GDPRPRAZCRLGTK-CTPLVJPESA-N 415.530 3.294 0 40 HGAB Cc1ncsc1C(=O)N1CCC2(CC1)CO[C@H]([C@@]1(C)CC[C@@H](C(C)(C)O)O1)C2 257310899 UHBTXAFERNLRKX-TWOQFEAHSA-N 408.564 3.171 0 40 HGAB C[C@H](Oc1cccc(F)c1)C(=O)N1CCC(c2cncc(Nc3cnccn3)n2)CC1 257311982 ULWMAQDNRCTHGM-HNNXBMFYSA-N 422.464 3.323 0 40 HGAB CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N[C@H](C)c1ccccc1C 260816685 ZAIRTUJZCYNWRW-UZLBHIALSA-N 404.532 3.426 0 40 HGAB Cn1nccc1[C@@H]1CN(C(=O)c2ccco2)C[C@]12CCCN(Cc1ccccc1)C2=O 306144374 ZDMRHCYXTUNWCI-YADARESESA-N 418.497 3.062 0 40 HGAB CN1c2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2N(C)S1(=O)=O 390832128 XMOATCMGKGHJME-UHFFFAOYSA-N 400.382 3.480 0 40 HGAB Cc1cccc(C(=O)N[C@@H](C)c2nnc(SCC(=O)Nc3ccccc3)n2C)c1 409139599 BJXOSVGLWNQAQV-HNNXBMFYSA-N 409.515 3.345 0 40 HGAB Cc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(OC(C)C)cc3)C2)cc1 409149216 ZEKOMQCEBSAHPT-KRWDZBQOSA-N 410.470 3.317 0 40 HGAB C[C@]1(c2cccc(C(=O)N3[C@H]4C=C(c5ccccc5)C[C@H]3CC4)c2)NC(=O)NC1=O 504085676 HSWWHHPNCWBCAA-YOSAUDMPSA-N 401.466 3.202 0 40 HGAB O=C(c1cnc2c(c1)c(O)nc(=O)n2C1CC1)N1CCC[C@H]1Cc1ccccc1Cl 516625811 WOTWOUCZOVRIGO-INIZCTEOSA-N 424.888 3.333 0 40 HGAB O=C(C1CCN(c2ccc3nncn3n2)CC1)N1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 553295728 PNEYXDAJBNKXOD-PWRODBHTSA-N 416.529 3.135 0 40 HGAB O=C(CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]12)Nc1ccc(Cl)nc1 604418467 QVYDXXKLKAIXEI-FQEVSTJZSA-N 418.840 3.489 0 40 HGAB c1cc(-c2cnc3nc(C4CCN(CCN5CCOCC5)CC4)ccc3c2)ccn1 1888922149 XNTYEAWKKLZYNY-UHFFFAOYSA-N 403.530 3.203 0 40 HGAB Cc1nn(C)cc1CN(C)C(=O)c1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1 918295 FRSIPLAECDZWSH-UHFFFAOYSA-N 418.379 3.322 0 40 HGAB COc1ccc(NC(=O)C(=O)NC[C@H](c2ccco2)N2CCc3ccccc32)cc1 4305237 HDRGVVDJQSIXRH-HXUWFJFHSA-N 405.454 3.147 0 40 HGAB Cc1ccc(CNC(=O)COc2coc(CN3CCc4ccccc4C3)cc2=O)cc1 4583894 DFRLTGKXDKZXPN-UHFFFAOYSA-N 418.493 3.202 0 40 HGAB CCc1nnc(NC(=O)CSc2nnc([C@H](C)Oc3ccccc3)n2C)s1 4816320 ZLGQRTHRDMJZOB-NSHDSACASA-N 404.521 3.100 0 40 HGAB Cc1ccc(C(=O)N/C(=C\c2cn(C)c3ccccc23)C(=O)N2CCOCC2)cc1 4935975 APMZFSASUGOTOC-QNGOZBTKSA-N 403.482 3.116 0 40 HGAB Cc1ccc(S(=O)(=O)N(CC(=O)NC[C@H]2CCCO2)c2ccc(C)c(C)c2)cc1 5017976 YFYQDONICWZUDL-HXUWFJFHSA-N 416.543 3.102 0 40 HGAB COc1ccc(C)cc1NC(=O)CSc1nnc2ccc(-c3cccnc3)nn12 5168463 ZBWSPIRSUBOLJG-UHFFFAOYSA-N 406.471 3.234 0 40 HGAB Cc1cc(C(=O)Cn2nnc(-c3ccccc3)n2)c(C)n1Cc1ccc2c(c1)OCO2 5325916 ZQZFDGQVSKESED-UHFFFAOYSA-N 415.453 3.418 0 40 HGAB COCCCNC(=O)c1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1 5523729 ZQOHEBXXCNMSED-UHFFFAOYSA-N 416.421 3.273 0 40 HGAB Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)N3c4ccccc4C[C@@H]3C)s2)c1 6817981 BWMDYHNBDOCHBO-ZDUSSCGKSA-N 414.512 3.239 0 40 HGAB Cc1ccc(-c2noc(-c3nnn(CC(=O)Nc4c(C)cccc4C)c3N)n2)cc1 6939224 VPNOXARJWAVTME-UHFFFAOYSA-N 403.446 3.141 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)CCC3)cc1 7055166 AZCOHNMCELMUCY-UHFFFAOYSA-N 408.545 3.007 0 40 HGAB CCOC(=O)Cn1cc(/C=C(\Sc2nnc(CC)o2)C(=O)O)c2ccccc21 7365611 VYWIEIMUFVLSGG-DHDCSXOGSA-N 401.444 3.368 0 40 HGAB COc1cc2c(cc1OC)CN(C(=O)COc1ccc3c(C)cc(=O)oc3c1C)CC2 7465287 JCFKQJRNXMXQIA-UHFFFAOYSA-N 423.465 3.391 0 40 HGAB biogenic O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1ccccc1C(=O)NC1CCCC1 7779780 TUQGIAZIRZOQTK-UHFFFAOYSA-N 419.481 3.374 0 40 HGAB CN(C)[C@@H](CNC(=O)CCCN1C(=O)c2ccccc2C1=O)c1ccccc1Cl 7797974 GYAFSFYQZSTHCZ-IBGZPJMESA-N 413.905 3.135 0 40 HGAB O=C(COC(=O)c1ccc(-n2cccc2)cc1)c1cc2c3c(c1)CC(=O)N3CCC2 7814148 IKMQGEPYNLKNJD-UHFFFAOYSA-N 400.434 3.352 0 40 HGAB CCOc1ccc(CN(C)C(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2C)cc1 8072964 FIKDALPZTOFZCH-UHFFFAOYSA-N 416.543 3.450 0 40 HGAB COc1ccc(C)cc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 8075834 SZYTWORYUAXXBC-OAHLLOKOSA-N 406.479 3.182 0 40 HGAB CCNC(=S)Nc1cccc(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1 8389763 GCGVJATXZQDJPD-UHFFFAOYSA-N 409.515 3.043 0 40 HGAB CCOC(=O)c1cnn(-c2cc(Nc3ccc(OC(F)(F)F)cc3)ncn2)c1N 8715324 INCKKJOLOQKJQX-UHFFFAOYSA-N 408.340 3.063 0 40 HGAB CCN(Cc1ccc2c(c1)OCCO2)C(=O)CSc1nc(-c2cccs2)n[nH]1 8724349 VSVGCPAWENSDPN-UHFFFAOYSA-N 416.528 3.445 0 40 HGAB CCN(CC)CCNC(=O)CN1C(=O)c2ccccc2[C@H]1c1c(C)[nH]c2ccccc12 9581844 SOTDSVKJDVQGAG-DEOSSOPVSA-N 418.541 3.480 0 40 HGAB CN(C)S(=O)(=O)N(C)c1ccc(C(=O)NCc2ccc(Cl)cc2Cl)cc1 9694888 AKPPLKBMEKEWNK-UHFFFAOYSA-N 416.330 3.166 0 40 HGAB Cn1c(=O)n(Cc2cccc(Cl)c2)c(=O)c2c1nc1oc(-c3ccccc3)cn12 9789622 ANBOUIUHFXWGJI-UHFFFAOYSA-N 406.829 3.310 0 40 HGAB Cc1cc(=O)oc2cc(OCC(=O)N3CCC(C(=O)Nc4ccccc4)CC3)ccc12 10445810 MAKHEMWFTVTKNJ-UHFFFAOYSA-N 420.465 3.358 0 40 HGAB COc1ccc(S(=O)(=O)Oc2ccc(C)c3c2C(=O)C[C@H]3C)cc1NC(C)=O 10664516 VRGLJGZVSDFCQE-GFCCVEGCSA-N 403.456 3.420 0 40 HGAB O=C(C1CCN(S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CC1)N1CCCC1 10666782 PYTUVRKGLRRQQB-UHFFFAOYSA-N 424.872 3.382 0 40 HGAB COc1cc(NC(=O)[C@H](NC(=O)c2ccccc2)C(C)C)ccc1N1CCCC1=O 11445825 QQYXDBASELZJFD-OAQYLSRUSA-N 409.486 3.215 0 40 HGAB O=C(c1cc(=O)c(OCc2ccc(F)cc2)c[nH]1)N1CCN(c2ccccc2)CC1 12069910 BHZKEQPDHNKPRA-UHFFFAOYSA-N 407.445 3.055 0 40 HGAB Cc1nc2cc([C@H]3CCCCN3S(=O)(=O)c3ccc(F)cc3)nn2c(O)c1C 12161715 QHCUNTZRRLMJKA-QGZVFWFLSA-N 404.467 3.107 0 40 HGAB CCOc1ccc(NC(=O)Cn2cnc3c(cnn3-c3cccc(Cl)c3)c2=O)cc1 12237680 YCENXNJBOATNLM-UHFFFAOYSA-N 423.860 3.273 0 40 HGAB CC(=O)N1CCCc2cc([C@@H](O)CN3CCC(O)(c4ccc(F)cc4)CC3)ccc21 12291199 FHVGMZKYAJZXLQ-QHCPKHFHSA-N 412.505 3.142 0 40 HGAB CC(C)NC(=O)Cn1cc(CN2CCC(NC(=O)C3CCCC3)CC2)c2ccccc21 12363923 RZNCMEGYQWBISD-UHFFFAOYSA-N 424.589 3.437 0 40 HGAB COc1cccc([C@H]2NC(N)=Nc3nc4cc5c(cc4n32)OCCCO5)c1OC(C)C 12506961 BNNLJPKLIRFKSY-FQEVSTJZSA-N 423.473 3.090 0 40 HGAB COc1cc(OC)cc([C@H](NC(=O)/C=C/c2ccc3c(c2)OCO3)c2nccn2C)c1 12550774 YAXUHTDATWNAMG-HVPBSWBLSA-N 421.453 3.085 0 40 HGAB O=C(Cc1csc2nc(-c3ccccc3)cn12)Nc1ccc(-n2cnnn2)cc1 12628694 COKUZCZSTKTLRN-UHFFFAOYSA-N 401.455 3.220 0 40 HGAB CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc(NC(=O)c2ccco2)s1 12748172 RBROZTLPUPZCOP-UHFFFAOYSA-N 422.466 3.492 0 40 HGAB COc1ccc(N(Cc2ccc(C(N)=O)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 12806988 MQNRFTHQUYOHPB-UHFFFAOYSA-N 410.495 3.498 0 40 HGAB CSc1ccccc1C(=O)N1CCN(Cc2nc(-c3cccs3)no2)CC1 12818270 BPQMCNGZMJQPGC-UHFFFAOYSA-N 400.529 3.478 0 40 HGAB CCOC(=O)c1cc(CC)sc1NC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 12820877 MQZBEKVMLRBNOP-UHFFFAOYSA-N 424.544 3.055 0 40 HGAB CC[C@@H](NC(=O)Cc1n[nH]c(=O)c2ccccc12)c1ccc(Br)cc1 12909947 VZBGJKRNRQHYAV-MRXNPFEDSA-N 400.276 3.496 0 40 HGAB O=C(CN1CCN(C(=O)c2ccc3ccccc3c2O)CC1)Nc1ccc(F)cc1 12925774 QASOVKCHVWMKOD-UHFFFAOYSA-N 407.445 3.081 0 40 HGAB Cc1cc(CNC(=O)N2CCN(CC(=O)Nc3cccc(C)c3C)CC2)ccc1F 13007567 JGSFTVTWNZMTIF-UHFFFAOYSA-N 412.509 3.217 0 40 HGAB CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)COc1ncnc2ccccc12 13135718 URURRCQXDBTDMB-UHFFFAOYSA-N 418.375 3.125 0 40 HGAB COc1ccc(S(=O)(=O)N(CC(=O)N2CCC[C@H](C)C2)c2ccc(F)cc2)cc1 13672635 ZAZLGVOHGKDUJL-INIZCTEOSA-N 420.506 3.288 0 40 HGAB COc1ccc(N2C[C@H](c3nnc(NC(=O)c4ccccc4F)s3)CC2=O)cc1 13944275 DWZWWNAMIBGZMP-GFCCVEGCSA-N 412.446 3.459 0 40 HGAB O=C(NCC1(N2CCCCC2)CCCCC1)C1CCN(C(=O)c2ccco2)CC1 14180999 MDWVSIJIWORHCN-UHFFFAOYSA-N 401.551 3.437 0 40 HGAB CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1cc(C(=O)OC)cc(C(=O)OC)c1 14398223 QPMRASORURXOEU-SFHVURJKSA-N 401.415 3.065 0 40 HGAB COc1cc2c(cc1OC)[C@]1(O)C(=O)c3ccc(O)c(CC=C(C)C)c3O[C@@H]1CO2 14688455 GHBZHAWROFXWAR-NFBKMPQASA-N 412.438 3.142 0 40 HGAB biogenic,in-vitro Cc1ccc(NC(=O)Cn2nc(C)c(S(=O)(=O)N3CCC(C)CC3)c2C)cc1C 15573688 XGUOHNWFNSXAAQ-UHFFFAOYSA-N 418.563 3.176 0 40 HGAB CCN(C(=O)[C@@H](C)Sc1nc2cc(Cl)ccc2s1)[C@@H]1CCS(=O)(=O)C1 15800138 LQHMLFSGPDRQCC-ZYHUDNBSSA-N 418.993 3.466 0 40 HGAB COc1ccc(-c2noc([C@H]3CC(=O)N(c4ccc5c(c4)OCO5)C3)n2)cc1OC 16960082 OUWBYBTZHSIJPU-ZDUSSCGKSA-N 409.398 3.003 0 40 HGAB CCS(=O)(=O)N1CCCc2ccc(NC(=O)COc3ccc(Cl)cc3)cc21 17316188 IWIDCQXGROINMY-UHFFFAOYSA-N 408.907 3.460 0 40 HGAB Cc1cc(C)n(CCCC(=O)N[C@@H]2C[C@@]3(CCC(=O)N(C)CC3)Oc3ccccc32)n1 19574164 LBHRSAMTNGUQFC-YKSBVNFPSA-N 424.545 3.301 0 40 HGAB Cc1nc(C(F)(F)F)ccc1C(=O)N[C@H]1CCCN(Cc2cnn(C)c2C)CC1 19749085 ZOTWUVCICGALSI-INIZCTEOSA-N 409.456 3.235 0 40 HGAB CCN(CC(=O)Nc1ccc(F)cc1)S(=O)(=O)c1ccc(OC)c(Cl)c1 19930132 PCLGPFNQOKTABI-UHFFFAOYSA-N 400.859 3.137 0 40 HGAB CN(C)S(=O)(=O)N(C)c1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1 20245802 PDCVVOJPNMMUJS-UHFFFAOYSA-N 401.410 3.200 0 40 HGAB Cc1cn2c(=O)c(S(=O)(=O)N3CCC(Cc4ccccc4)CC3)c(C)nc2s1 20921933 UFNHYADGGYNHOC-UHFFFAOYSA-N 417.556 3.016 0 40 HGAB O=C(c1ccc(Cl)cc1)N1CCN(Cc2nc3ccc(Cl)cc3c(=O)[nH]2)CC1 23004984 UZASFKKZWXVTJO-UHFFFAOYSA-N 417.296 3.188 0 40 HGAB Cc1[nH]c2ccccc2c1/C=C1\N=C(c2cccc(S(=O)(=O)N(C)C)c2)OC1=O 23109288 YGZSRPAODZBJNS-UNOMPAQXSA-N 409.467 3.071 0 40 HGAB Cc1sc2ncn(CC(=O)OCc3cc(Cl)c4c(c3)OCCO4)c(=O)c2c1C 26097031 HYBXFEBVZOMFGB-UHFFFAOYSA-N 420.874 3.243 0 40 HGAB Cn1c(=O)c2c(nc3n(-c4cccc5ccccc45)c(-c4ccccc4)cn23)n(C)c1=O 26507242 ZKSUFHUGQIRFGU-UHFFFAOYSA-N 421.460 3.496 0 40 HGAB C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)CSCc1cccc(Cl)c1 28314289 IYNKERHEKKVBMD-CYBMUJFWSA-N 412.964 3.440 0 40 HGAB CC(C)C[C@@H](NC(=O)CCN1C(=O)c2ccccc2S1(=O)=O)c1ccccc1 29107353 PCDYVJDKPHEHJQ-GOSISDBHSA-N 400.500 3.125 0 40 HGAB CCCCNC(=O)CCc1nc2cc(S(=O)(=O)N(CC)CC)ccc2n1CCC 29514394 LHWUFMDRNJOVNA-UHFFFAOYSA-N 422.595 3.326 0 40 HGAB Cc1cc(N2CCN(CC(=O)N(C)[C@H](C)c3ccc(F)cc3)CC2)nc(C(C)C)n1 29632536 FCJZYWZBZCGPNP-GOSISDBHSA-N 413.541 3.389 0 40 HGAB Cc1ccc(C)c(C(=O)[C@@H](C)Sc2ccc(S(=O)(=O)N3CCOCC3)cn2)c1 31751811 ZOGNOOFNCKWXNK-MRXNPFEDSA-N 420.556 3.083 0 40 HGAB COC(=O)c1ccc(NC(=O)N2CCc3nc[nH]c3[C@@H]2c2ccccc2OC)cc1 32124193 KCEZOGOAOKATOM-FQEVSTJZSA-N 406.442 3.385 0 40 HGAB biogenic O=C(NCc1ccc2c(c1)OCO2)c1cnn(-c2ccccc2F)c1-n1cccc1 32796368 ZARXOOHSHFFIMM-UHFFFAOYSA-N 404.401 3.461 0 40 HGAB C[S@@](=O)Cc1cccc(C(=O)NC[C@H](c2ccccc2Cl)N2CCOCC2)c1 32818223 IYPJUFCQKRWIKL-NGOKVRLYSA-N 420.962 3.022 0 40 HGAB CNC(=O)c1cccc(CNC(=O)[C@@H](C)Oc2ccc(F)cc2Br)c1 32924592 DVCZUOKULACMEY-LLVKDONJSA-N 409.255 3.032 0 40 HGAB CCOC(=O)Nc1nn(CN2CCN(c3ccccc3OCC)CC2)c(=S)s1 32935484 ZALKERBEOFRORX-UHFFFAOYSA-N 423.564 3.421 0 40 HGAB O=C(Cn1c(=O)oc2ccccc21)Nc1nc(-c2cc3ccccc3oc2=O)cs1 36646815 GFTSFHJQVHPYOS-UHFFFAOYSA-N 419.418 3.463 0 40 HGAB COc1ccc(-c2cc3c4nnc(CCC(=O)NC5CCCCC5)n4ccn3n2)cc1 38487363 XXPPHLAVDYGFNL-UHFFFAOYSA-N 418.501 3.434 0 40 HGAB COc1ccc(S(=O)(=O)N(C)Cc2ccc(Cl)cc2)cc1C(=O)NC(C)C 38772188 GVCPOQXMVCYNRL-UHFFFAOYSA-N 410.923 3.308 0 40 HGAB O=C(NC1CCN(Cc2ccccc2)CC1)c1c[nH]nc1-c1ccc2c(c1)OCCO2 40033658 YMYPVVOSJBQIJE-UHFFFAOYSA-N 418.497 3.242 0 40 HGAB FC(F)Sc1ccc(NC(=S)NC[C@H]([C@H]2CCOC2)N2CCOCC2)cc1 40050380 GYHBUUZKNHNCTJ-XJKSGUPXSA-N 417.547 3.025 0 40 HGAB O=C(NCCNC(=O)[C@@H]1CCCN(c2nc3ccccc3s2)C1)c1ccccc1 40115088 CLZZAQZWSIIDGM-QGZVFWFLSA-N 408.527 3.059 0 40 HGAB Cc1nc(-c2ccc(CCNC(=O)[C@H]3CCCN(C(=O)N(C)C)C3)cc2)cs1 40131915 TUTJXFWYHYFOJN-SFHVURJKSA-N 400.548 3.171 0 40 HGAB CCN(CC)C(=O)N1CCC[C@H](C(=O)N[C@@H](C)c2cc(OC)c(OC)cc2C)C1 40134328 ZGGIIZDIUFULGX-IRXDYDNUSA-N 405.539 3.363 0 40 HGAB CCc1ccc(OCC(=O)Nc2nn3c(-c4ccc(OC)cc4)nnc3s2)cc1 41076468 PRZJFUMNIRLICZ-UHFFFAOYSA-N 409.471 3.441 0 40 HGAB O=C(CCCOc1ccccc1Br)N1CCN(Cc2cccnc2)CC1 47799269 RUYZZIURBJJFIF-UHFFFAOYSA-N 418.335 3.348 0 40 HGAB C[C@@H]1CCCCN1S(=O)(=O)NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1 56124623 IQLULKQBKSJKGL-OAHLLOKOSA-N 419.513 3.379 0 40 HGAB Cc1ccc(-n2c(=O)c3sccc3n(CC(=O)NC3CCCCC3)c2=O)c(C)c1 57492815 KSLLPTZCJHFWNR-UHFFFAOYSA-N 411.527 3.280 0 40 HGAB CCOC(=O)c1ccc(OS(=O)(=O)c2ccc(N3CCCC3=O)cc2C)cc1 60127395 HGVOWJJCJQJJGE-UHFFFAOYSA-N 403.456 3.066 0 40 HGAB CCNC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)c2cc(C(C)(C)C)ccc2O1 64985429 BRIAKHHRDNRSHH-LJQANCHMSA-N 402.516 3.077 0 40 HGAB CSc1ccc([C@H]2NC(=O)N(CC(=O)Nc3ccc(C)cc3)C3=C2C(=O)OC3)cc1 71326797 OBBRZHKZGBRYDZ-HXUWFJFHSA-N 423.494 3.233 0 40 HGAB COC(=O)[C@H](Cc1c[nH]c2ccc(Br)cc12)NC(=O)[C@H]1CC=CCC1 72306767 UQNTXBVDFKCBID-SJCJKPOMSA-N 405.292 3.487 0 40 HGAB O=C1N[C@]2(COC3(CCN(C(=O)c4cccs4)CC3)C2)Nc2ccc(Cl)cc21 72325466 VICWKNPHWGODGW-HXUWFJFHSA-N 417.918 3.348 0 40 HGAB O=C(CCn1ccnc1)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 89788276 ARYLKYGFAHKWJG-UHFFFAOYSA-N 404.879 3.366 0 40 HGAB O=C(CCc1ccsc1)NC[C@H]1CSCCN1C(=O)CCc1ccsc1 95458451 STGVHJASDMIHRC-KRWDZBQOSA-N 408.614 3.435 0 40 HGAB CC(=O)Nc1ccc(F)c(C(=O)N2CCC(c3c[nH]c4ccc(C(N)=O)cc34)CC2)c1 95467882 QOHIUDPGKXCQSK-UHFFFAOYSA-N 422.460 3.384 0 40 HGAB Cc1cc(=O)c(OCC(=O)Nc2nc3ccc(OC(F)(F)F)cc3s2)cn1C 95473892 NGMOYAPWWJNTJH-UHFFFAOYSA-N 413.377 3.220 0 40 HGAB CCc1ccc(S(=O)(=O)N2CC[C@]3(CCCN(Cc4nccs4)C3)C2)cc1 96215803 MNBJIHHOQGHUID-FQEVSTJZSA-N 405.589 3.382 0 40 HGAB CCOC(=O)[C@@]1(N)[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218529263 FFXNCYLNVYVEDP-SOLBZPMBSA-N 414.310 3.194 0 40 HGAB CCS(=O)(=O)N1C[C@@H](C(=O)N[C@@H](C)c2ccc(C)c(C)c2)Oc2ccccc21 218794204 QWHLKNGGOFKCCZ-JXFKEZNVSA-N 402.516 3.098 0 40 HGAB COc1ccc2c(c1)[C@H](NC(=O)CCCN1C(=O)c3ccccc3C1=O)CC(C)(C)O2 219139205 CADGZTSVHNOSRW-LJQANCHMSA-N 422.481 3.490 0 40 HGAB CC[C@@H](NC(=O)c1ccc(N(C)S(C)(=O)=O)c(C)c1)c1ccc(OC)c(OC)c1 222485638 LTTWHMOVPJVRQS-QGZVFWFLSA-N 420.531 3.289 0 40 HGAB CC[C@H](C(=O)N[C@@H](C)c1ccccc1OC)N(c1ccccc1F)S(C)(=O)=O 222568913 KSCRRJJTXUEORB-WMLDXEAASA-N 408.495 3.256 0 40 HGAB CC[C@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(OC)c(OC)c1 223097419 HVSIVNWLGUEHPS-HXUWFJFHSA-N 412.530 3.498 0 40 HGAB CCOC(=O)c1ccccc1NS(=O)(=O)c1ccc(OCC)c(NC(C)=O)c1 223261303 MMVKHRBOCPOBMY-UHFFFAOYSA-N 406.460 3.021 0 40 HGAB CS(=O)(=O)N(CC(=O)NCc1cccc(C(F)(F)F)c1)c1cccc(Cl)c1 224555882 WLZFUXOVXJDRCB-UHFFFAOYSA-N 420.840 3.441 0 40 HGAB CCC1(CC)C[C@@H](NS(=O)(=O)c2ccc(S(C)(=O)=O)cc2)c2ccccc2O1 224590593 BGDRASUGIJTQAO-GOSISDBHSA-N 423.556 3.451 0 40 HGAB COC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCC(=O)N2CCOCC2)cc1 225615004 XDHGKGOVONZBRD-UHFFFAOYSA-N 420.550 3.340 0 40 HGAB COc1ccc(CCNC(=O)Cn2ccc(=O)c3ccc(Br)cc32)cc1 225738305 NNLPQRGXMKXNOZ-UHFFFAOYSA-N 415.287 3.132 0 40 HGAB COc1cccc(N([C@H](C)C(=O)N[C@H]2CCCc3ccccc32)S(C)(=O)=O)c1 260588075 FVCMKGJRQPDVES-QRWLVFNGSA-N 402.516 3.044 0 40 HGAB COc1ccc(-c2ccc3c([C@@H]4CN(Cc5nccs5)CCO4)nnn3c2)cc1 306135179 OKHSXDVDNMRAPH-IBGZPJMESA-N 407.499 3.435 0 40 HGAB Cc1ncsc1CN1C[C@@H]2c3cc(-c4ccc(F)nc4)ccc3S(=O)(=O)[C@H]2C1 306138304 RURADFDVMUUQFP-APWZRJJASA-N 415.515 3.408 0 40 HGAB CC(=O)c1cccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)c1 408650848 ADFLPTVTUQQYKU-HNNXBMFYSA-N 414.845 3.077 0 40 HGAB COc1ccc(CCNC(=O)C(=O)NCC(c2ccccc2)c2ccccc2)cc1 408708288 XHEOPQMKSWMMLQ-UHFFFAOYSA-N 402.494 3.302 0 40 HGAB Cc1cc([C@H]2c3c(n(C)c(=O)n(C)c3=O)N=C3c4ccccc4C(=O)[C@H]32)cc(C)c1C 408733356 HGSHORQPAKOAJY-MOPGFXCFSA-N 413.477 3.088 0 40 HGAB COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cccn2-c2ccccc2)C1=O 409220807 GCRHZRJDAHYXOQ-XMHGGMMESA-N 416.437 3.017 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccc(C)cc3)C2)cc1C 409377930 KQYLZFGAIBLYJL-LJQANCHMSA-N 416.543 3.029 0 40 HGAB CCn1cc(-c2noc(CNC(=O)c3c(-c4ccccc4Cl)noc3C)n2)cn1 575414490 LKPPDZGQOGNPQI-UHFFFAOYSA-N 412.837 3.500 0 40 HGAB Cc1cc(Nc2nc(C)cs2)nc([C@@H]2CCCCN2C(=O)/C=C/CN(C)C)n1 585292356 LCCHANPHASQVKZ-DYLHUKMJSA-N 400.552 3.465 0 40 HGAB CN(Cc1ccccc1)C(=O)CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]12 604419176 ASTGOQBWXHYWFJ-HSZRJFAPSA-N 411.461 3.460 0 40 HGAB O=C(CCCCCn1cccc1)N1CCN(Cc2nc(O)c3ccccc3n2)CC1 604419407 MIWGNUUUKCIZCJ-UHFFFAOYSA-N 407.518 3.042 0 40 HGAB COC(C)(C)C(=O)N1CCC[C@@]2(CCCCc3ccccc3OCCN(C)C2=O)C1 643561400 JJNRVGGLVXTKNK-DEOSSOPVSA-N 416.562 3.284 0 40 HGAB Cc1cc(Br)cc(S(=O)(=O)N2CCN(C)C[C@@H]2c2ccccc2)c1 1191271616 CQSYMRVBYWNPPP-GOSISDBHSA-N 409.349 3.435 0 40 HGAB COc1cccc(NC(=O)N2CC[C@H]3CC(=O)Nc4cccnc4OCC[C@H]3C2)c1 1534646920 WJQHYYYAZLKZED-HOTGVXAUSA-N 410.474 3.372 0 40 HGAB C=CC(=O)N1CCc2cc(C(=O)N3CCC(n4c(O)nc5ccccc54)CC3)ccc21 1615059118 VVKCFUQXENXUND-UHFFFAOYSA-N 416.481 3.294 0 40 HGAB Cc1ccc(CN2CCC3(CC2)CC(=O)N(Cc2ccncc2)c2cc(C)nn23)cn1 1772596595 XHUNFAWUVABLKY-UHFFFAOYSA-N 416.529 3.218 0 40 HGAB O=C1CC2(CCN(Cc3ccc(F)cc3)CC2)n2nccc2N1Cc1ccncc1 1772596610 YSTDZYMGCGPUIS-UHFFFAOYSA-N 405.477 3.345 0 40 HGAB O=C1COc2ccc(F)cc2CCCC[C@@H]2CN(Cc3cncc(F)c3)CC[C@@H]2N1 2037989037 SIDDYUDDYFBFAF-NQIIRXRSSA-N 415.484 3.472 0 40 HGAB Cc1nc(N2CCCN(c3ccc4nc(C(C)(C)C)cn4n3)CC2)c2ccncc2n1 2087064970 NXBDLNPNVOWXOT-UHFFFAOYSA-N 416.533 3.390 0 40 HGAB CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Oc2ccccc2C(=O)O)cc1 1681376 WTFXAFSJUJMCGW-UHFFFAOYSA-N 405.472 3.415 0 40 HGAB CCOC(=O)c1c(NC(=O)CN(C)Cc2ccccc2)sc(C(=O)N(C)C)c1C 2636905 BYZAZKIFGMSOJX-UHFFFAOYSA-N 417.531 3.006 0 40 HGAB CCOC(=O)Cc1csc(SCC(=O)Nc2ccc3c(c2)OC(F)(F)O3)n1 3421072 BPEOPEHLYFWEOT-UHFFFAOYSA-N 416.427 3.301 0 40 HGAB O=C(CSc1nnc(-c2ccccc2F)n1Cc1ccccc1)N1CCOCC1 3562937 JLINQPRJOPMXDV-UHFFFAOYSA-N 412.490 3.083 0 40 HGAB CC(=O)OCC(=O)[C@@]1(O)[C@H](C)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 4073872 UREXXQAEJYMHKC-OEJKEPOQSA-N 404.547 3.419 0 40 HGAB biogenic NC(=O)c1nc(-c2ccc(Cl)cc2)nc2c1[nH]c(=O)n2-c1ccc(Cl)cc1 4166806 IEEPSWDLSSEEEA-UHFFFAOYSA-N 400.225 3.182 0 40 HGAB CCCc1cc(=O)[nH]c2nnc(SCC(=O)Nc3ccc(C(F)(F)F)cc3)n12 4250329 RNWGQLNSYBCRHD-UHFFFAOYSA-N 411.409 3.120 0 40 HGAB CCOc1ccc(NC(=O)COc2ccc(C(=S)N3CCN(C)CC3)cc2)cc1 4680781 YLMUKOIWUVZXLX-UHFFFAOYSA-N 413.543 3.026 0 40 HGAB O=C(C1CCCCC1)N1CCC[C@@H](c2nc(O)c3nnn(Cc4ccccc4)c3n2)C1 4861999 NSXQFSNHSDJYRP-GOSISDBHSA-N 420.517 3.262 0 40 HGAB Cc1c(C(=O)O[C@H](C)C(=O)Nc2ccc(F)cc2)sc2nc3n(c(=O)c12)CCC3 5246833 YNTGMQNUQBFJEI-LLVKDONJSA-N 415.446 3.036 0 40 HGAB O=C(CSc1ccc(S(=O)(=O)N2CCCC2)cn1)c1c[nH]c2ccccc12 5261668 UILHRPPZQZUSGM-UHFFFAOYSA-N 401.513 3.322 0 40 HGAB O=C(CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O)Nc1ccc2ccccc2c1 5342600 IHRVRZVHKNCKEK-NRFANRHFSA-N 412.449 3.423 0 40 HGAB C[C@@H]1CCCC[C@@H]1NC(=O)CSc1ccc(S(=O)(=O)N2CCCCC2)cn1 5634761 ZSCJVJYEDSISEC-WBVHZDCISA-N 411.593 3.043 0 40 HGAB CCCCNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1cc(C)ccc1OC 6273599 VVYUIMODYXTNIP-UHFFFAOYSA-N 404.532 3.111 0 40 HGAB CCOC(=O)[C@H](C)Sc1nnc(CNC(=O)C23CC4CC(CC(C4)C2)C3)n1CC 6356703 ZMJRHQVMJUVRRR-JHMRYYBSSA-N 420.579 3.174 0 40 HGAB COc1cc2c(cc1NC(=O)CN1C(=O)N[C@](C)(C3CC3)C1=O)oc1ccccc12 7474970 SBJLNVVZPQWAJI-JOCHJYFZSA-N 407.426 3.254 0 40 HGAB COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)[C@@H]2COc3ccc(Cl)cc3C2)c1C 7546782 HNTYTVXEJZDYHL-OCCSQVGLSA-N 419.861 3.437 0 40 HGAB Cc1cc(C)cc(C(=O)O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)c1 7973465 SMUSHGFCNNRUTM-INIZCTEOSA-N 418.515 3.174 0 40 HGAB O=C(OCc1nc(-c2ccsc2)no1)C1CCN(C(=O)c2cccs2)CC1 8173548 DUHOULIWWYQQKI-UHFFFAOYSA-N 403.485 3.455 0 40 HGAB C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)c2ccc3c(c2)OCO3)C1=O 8193610 CMAJPRACHFJLFF-QHCPKHFHSA-N 402.406 3.218 0 40 HGAB COc1cc(NC(=O)NC[C@H]2CC(=O)N(c3ccc(C)cc3)C2)cc(OC)c1OC 9040464 NLYFBAUUFBEMGW-OAHLLOKOSA-N 413.474 3.195 0 40 HGAB CC1=Nc2ccccc2N=C(NC(=O)CSc2nnnn2C)[C@H]1c1ccccc1 9183779 NQZOSAZJRPWYLP-GOSISDBHSA-N 405.487 3.038 0 40 HGAB COc1cc(NC(=O)CSc2nccn(-c3ccc(C)cc3)c2=O)cc(OC)c1 9320470 IADDNDQTHAINJM-UHFFFAOYSA-N 411.483 3.289 0 40 HGAB Cn1c(CC(=O)Nc2ccccc2F)nnc1SCCC(=O)Nc1ccccc1 9327788 DVENVENIBWCSQK-UHFFFAOYSA-N 413.478 3.256 0 40 HGAB Cn1c(=O)c2c(-c3ccccc3)n3c(c2n(C)c1=O)[C@H](c1ccccc1Cl)OCC3 9429309 GGSPGCOGOIZUDZ-NRFANRHFSA-N 421.884 3.479 0 40 HGAB O=S(=O)(NCCc1csc2nc(-c3ccccc3F)nn12)c1cccs1 9569577 CBBQSTAVMJKKNZ-UHFFFAOYSA-N 408.505 3.179 0 40 HGAB O=C(NCCCc1ccccc1)c1csc(NS(=O)(=O)c2cccs2)n1 11693227 DPQFHOZSPCXJGV-UHFFFAOYSA-N 407.542 3.368 0 40 HGAB Cc1ncc(C(=O)N(C)C)c(-c2ccc(CNC(=O)c3sc(C)nc3C)cc2)n1 12231180 BBNWRGNXVZEBMG-UHFFFAOYSA-N 409.515 3.157 0 40 HGAB O=S1(=O)c2ccccc2[C@H](O)[C@H](Cc2c[nH]c3ccccc23)N1Cc1ccncc1 12324635 IPBXYRWZQMLCNI-GMAHTHKFSA-N 419.506 3.412 0 40 HGAB COc1ccc(OC)c([C@H]2CCCN2C(=O)CNC(=O)c2ccccc2Cl)c1 12796433 PJYCMVITRVJDKG-GOSISDBHSA-N 402.878 3.451 0 40 HGAB Cc1ccnc2nc(C(=O)O[C@H](C)C(=O)Nc3ccc(Oc4ccccc4)cc3)nn12 12804170 ZAZSLMSBVCSXPJ-OAHLLOKOSA-N 417.425 3.409 0 40 HGAB Cc1cccc(OCCC(=O)N2CCN(CC(=O)Nc3cccc(C)c3C)CC2)c1 12987145 HXXPRBQASVSRPZ-UHFFFAOYSA-N 409.530 3.164 0 40 HGAB COc1ccc(S(=O)(=O)NCC2CCC(C(=O)Nc3nc(C)cs3)CC2)cc1 13685462 AMBJEXTVJMLPHM-UHFFFAOYSA-N 423.560 3.184 0 40 HGAB COc1ccccc1/C=[N+]1\NC(=O)[C@H](NC(=O)c2ccccc2)[C@@H]1c1ccc(C)cc1 13941606 JFHMWVJWVCOBJN-AYHYUOJHSA-O 414.485 3.020 0 40 HGAB C[C@]1(c2ccccc2Br)NC(=O)N(CN2CCc3ccccc3C2)C1=O 14255291 RFNVUXMPHHEGBJ-HXUWFJFHSA-N 414.303 3.232 0 40 HGAB CC1=NN(C(=O)c2ccn(COc3ccc(F)c(Cl)c3)n2)[C@@](O)(C(F)(F)F)C1 17092430 QCRYEAQLNIRWOI-HNNXBMFYSA-N 420.750 3.185 0 40 HGAB COc1ccc(-c2nnc(S)n2CC(=O)NCCSCc2ccccc2)cc1 18150222 DBVIVUKPEFVHGI-UHFFFAOYSA-N 414.556 3.292 0 40 HGAB COc1ccc([C@H](c2nnnn2C(C)C)N2CCN(Cc3ccccc3)CC2)cc1 19454658 RPRXQRHAISHSNK-JOCHJYFZSA-N 406.534 3.170 0 40 HGAB COc1ccccc1C(=O)N1CC[C@](Cc2ccccc2-c2cccnc2)(C(N)=O)C1 19568586 JNRBBTUIFHEPIF-RUZDIDTESA-N 415.493 3.318 0 40 HGAB CNc1nc([C@H]2CCCCN2C(=O)Cc2c[nH]c3ccccc23)nc2c1CCN(C)C2 19708483 KIZZVMATNHTYRR-OAQYLSRUSA-N 418.545 3.284 0 40 HGAB COC(=O)c1[nH]c2cc(C)ccc2c1NC(=O)CN1CCN(Cc2ccccc2)CC1 20358199 XLQQPZYUFLMLCK-UHFFFAOYSA-N 420.513 3.019 0 40 HGAB CC(C)c1ccccc1N(CC(=O)NCCSc1ccccc1)S(C)(=O)=O 22384346 SKNXUBSCTHMFAY-UHFFFAOYSA-N 406.573 3.485 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N[C@H](C)c2ccc(F)cc2)c(C)c1 22537418 ZSDYCSHJXSUWAF-MRXNPFEDSA-N 422.522 3.421 0 40 HGAB Cc1cc(F)ccc1S(=O)(=O)Nc1ccccc1C(=O)N1C[C@@H](C)O[C@H](C)C1 23078170 XWJPGLXJSJZMGO-HUUCEWRRSA-N 406.479 3.184 0 40 HGAB COc1ccccc1Nc1ncccc1C(=O)N(C)Cc1nc2ccccc2c(=O)[nH]1 23606008 YQRQZRCRSATALJ-UHFFFAOYSA-N 415.453 3.343 0 40 HGAB COc1ccc(C2=N/C(=C/c3cc4ccccc4nc3N3CCOCC3)C(=O)O2)cc1 27572905 AQUPZXYTIFHBSB-RCCKNPSSSA-N 415.449 3.425 0 40 HGAB Cc1cc(N2CCN(C)CC2)ccc1NC(=O)[C@H]1CC(=O)N(c2cccc(C)c2C)C1 29369687 NTHWFDBNQCQIAK-FQEVSTJZSA-N 420.557 3.355 0 40 HGAB CC1=C(C(=O)NCCc2ccccc2)CC(C(=O)NCCc2ccccc2)=C(C)N1 31852460 VKTUFNNMMNZCFS-UHFFFAOYSA-N 403.526 3.246 0 40 HGAB CCOCc1c(C(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)oc2ccccc12 32781067 KVXYOZQBJNKAJY-UHFFFAOYSA-N 402.472 3.486 0 40 HGAB CCOc1cccc2cc([C@H](C)NC(=O)CCn3c(=O)[nH]c(=O)c4ccccc43)oc12 32845476 GSYFPJYNDZVGQF-AWEZNQCLSA-N 421.453 3.102 0 40 HGAB C/C=C/C1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)[C@H](N)[C@H]2SC1 34193990 KGHADALWBFAJHM-DJGGCSPLSA-N 406.507 3.392 0 40 HGAB CC(C)(C)NC(=O)[C@H](c1cccnc1)N(C(=O)[C@@H]1CSC(=O)C1)C1CCCC1 35313987 BPJLGLQYWWCGNK-YJBOKZPZSA-N 403.548 3.088 0 40 HGAB CCCc1nnc(S)n1CC(=O)NCc1ccccc1CN1CCCC[C@@H]1C 36391053 KRZIZIDSQWWGMX-INIZCTEOSA-N 401.580 3.210 0 40 HGAB O=C1C[C@@H](c2cc(Br)ccc2OCc2cccc(F)c2)N2N=CNC2=N1 38278529 LLWQMKAJYIFOEE-HNNXBMFYSA-N 417.238 3.343 0 40 HGAB O=C(COc1ccccc1C(F)(F)F)N1CCN(C(=O)c2ccccc2F)CC1 40074040 LITMPTLUEBPMHR-UHFFFAOYSA-N 410.367 3.208 0 40 HGAB Cc1ccc(Cn2nnc3c(=O)n(CC(=O)Nc4ccc(C(C)C)cc4)cnc32)cc1 40478023 FLFBRAFKQDEZQL-UHFFFAOYSA-N 416.485 3.107 0 40 HGAB O=C(NCCSC1CCCC1)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 43039666 QVGGFAUXHJLRHI-UHFFFAOYSA-N 410.605 3.020 0 40 HGAB CCc1ccc(CNC(=O)c2cnn(-c3ncccc3-c3nc(C)no3)c2C)cc1 49420792 CYHFSLIUQAOVFX-UHFFFAOYSA-N 402.458 3.427 0 40 HGAB O=C(NC1CCC(O)CC1)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 49909114 AESWFNDMGQXHNF-UHFFFAOYSA-N 405.848 3.390 0 40 HGAB CCSc1cc(C(=O)N2CCN(c3ccc(Br)cn3)CC2)ccn1 53057967 MRDNWJNCUXCPEK-UHFFFAOYSA-N 407.337 3.314 0 40 HGAB CN(C)C1(CNC(=O)N2CCC(NC(=O)c3cccs3)CC2)CCCCCC1 56560112 ULTOQOSFWHYWBJ-UHFFFAOYSA-N 406.596 3.307 0 40 HGAB COC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)N[C@H]2CCCc3ccccc32)cc1 58144629 CEBRZFHCMBBUIU-QRWLVFNGSA-N 417.531 3.199 0 40 HGAB CN(C)c1c(Cl)cccc1NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 58411479 GFJSUZQIJBPWCJ-LBPRGKRZSA-N 401.850 3.126 0 40 HGAB NC(=O)C1CCN(c2ccccc2NC(=O)NCCc2ccc(Cl)cc2)CC1 58423573 IGIAICZDROTQDV-UHFFFAOYSA-N 400.910 3.406 0 40 HGAB O=C(Nc1cccc2ccccc12)O[C@@H]1CO[C@@H]2[C@@H](NCc3ccccn3)CO[C@H]12 67898999 SRGSUILSIOECMU-DXBBTUNJSA-N 405.454 3.108 0 40 HGAB biogenic,in-vitro O=C(O)[C@H]1CC(=O)N(c2ccc3nc(-c4cncc(Br)c4)oc3c2)C1 70461398 WTLSTDOSBDPUJH-JTQLQIEISA-N 402.204 3.090 0 40 HGAB COc1ccc2c(ccn2CC(=O)Nc2ccc(N3CCCCS3(=O)=O)cc2)c1 71279700 DBWCRNGPCDTVMA-UHFFFAOYSA-N 413.499 3.219 0 40 HGAB CCOCCCNC(=O)[C@@H]1c2ccccc2C(=O)N(CCOC)C12CCCCC2 71284168 UXEVPSGTPJCESI-FQEVSTJZSA-N 402.535 3.118 0 40 HGAB CCCN1CCC2(CC1)OC[C@H](C(=O)O)N2C(=O)c1ccc(Cl)c(Cl)c1 71980320 JGPJHWXOMLVFFH-OAHLLOKOSA-N 401.290 3.121 0 40 HGAB C[C@H]1Cc2ccccc2N1C(=O)CN1N=C(c2nc(-c3ccccc3)no2)CCC1=O 72329645 VBKCMZSPMXXZHZ-HNNXBMFYSA-N 415.453 3.041 0 40 HGAB C[C@@H]1CN(C(=O)CN2N=C(C(C)(C)C)Cn3c(cc4sccc43)C2=O)C[C@@H](C)O1 72334885 XYDQZZYODNUTFT-ZIAGYGMSSA-N 416.547 3.197 0 40 HGAB O=C(c1ccc2c(c1)OCCO2)N1CCC[C@@H]1c1cccc(Nc2cnccn2)n1 72375172 SXMQGDIOJGZAKJ-QGZVFWFLSA-N 403.442 3.364 0 40 HGAB CN1N=C(C(=O)Nc2cc(Cl)ccc2C(=O)Nc2ccc(Cl)cn2)CCC1=O 78877714 GIMIODXHJBCOOM-UHFFFAOYSA-N 420.256 3.187 0 40 HGAB COc1ccc(C(=O)NC[C@H]2CC(=O)N(CCc3ccccc3)C2)cc1OC(F)F 79056361 RFKKEFWMBLCDJD-MRXNPFEDSA-N 418.440 3.118 0 40 HGAB CC(C)(C(=O)OCC(=O)Nc1ccnn1Cc1ccccc1Cl)c1cccnc1 95454629 GVGDRKPELJWOPZ-UHFFFAOYSA-N 412.877 3.439 0 40 HGAB CCN1C[C@H]2C3(CCN(C(=O)c4ccsc4)CC3)CC[C@@]2(C(=O)N2CCCC2)C1 96036324 LSMYNQYEOOCIMT-WMZHIEFXSA-N 415.603 3.325 0 40 HGAB Cc1cccc(NC(=O)N2CCC[C@]3(C(=O)N(C)C)CN(c4ccccn4)C[C@@H]3C2)c1 96251244 GVOJEFVVJFUSSI-CYFREDJKSA-N 421.545 3.229 0 40 HGAB O=C(COC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1)c1ccccc1 100743230 XSMIQSJYQZSIAO-USNOLKROSA-N 401.418 3.038 0 40 HGAB Cc1ccc(C(=O)COC(=O)C2CCC(N3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)CC2)cc1 101228703 RMSOVSYXAQZWFU-JTMZQCSKSA-N 421.493 3.087 0 40 HGAB CSCC[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 101402066 XOFZJQUELVWZKR-HADLTNHFSA-N 418.603 3.368 0 40 HGAB Cc1ccc(NC(=O)c2c(N3C(=O)[C@@H]4[C@H]5CC[C@@H](O5)[C@@H]4C3=O)sc3c2CCC3)cc1 102637961 XAOGRONEMHVGDY-RGCFKVTRSA-N 422.506 3.464 0 40 HGAB COC[C@]1(N)[C@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 218232259 ATAKWQYDVDUMEY-SQNIBIBYSA-N 410.333 3.041 0 40 HGAB COc1ccc2cc(S(=O)(=O)N[C@H](C)c3ccc(S(C)(=O)=O)cc3)ccc2c1 223893197 PYFCNNMTEWMMFW-CQSZACIVSA-N 419.524 3.291 0 40 HGAB CCc1ccc(OCCNS(=O)(=O)c2ccc(N3CCCC3=O)c(C)c2)cc1 224375881 XECMASPPINZGGY-UHFFFAOYSA-N 402.516 3.042 0 40 HGAB COc1ccccc1[C@H](C)NC(=O)CCCN(c1ccc(C)cc1)S(C)(=O)=O 225327240 QEFCQGPESOUSDN-KRWDZBQOSA-N 404.532 3.427 0 40 HGAB CC[C@@H](C(=O)NCCSC1CCCC1)N(c1cccc(OC)c1)S(C)(=O)=O 225425729 FEPOCJGXAXJKGI-SFHVURJKSA-N 414.593 3.032 0 40 HGAB CCOC(=O)[C@@]1(CN)[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 225661674 FYDSZLRCGNAQST-HBFSDRIKSA-N 407.919 3.096 0 40 HGAB COc1ccc(NC(=O)[C@@]23C[C@@H]2CN(c2ccc(Cl)cc2)S3(=O)=O)c(C)c1 225939160 FHDKHKZNYHOWKP-BFUOFWGJSA-N 406.891 3.204 0 40 HGAB CCCc1ncc(CN2CCC[C@H]([C@H]3CN(C(C)=O)Cc4ccccc4O3)C2)cn1 247962717 WARHGDVHAMOJPZ-NZQKXSOJSA-N 408.546 3.451 0 40 HGAB CNc1cc(C(=O)N2CCO[C@H](c3ccc(Nc4ccc(F)cn4)cn3)C2)ccn1 257203103 AOSGESBZGJYJQQ-SFHVURJKSA-N 408.437 3.010 0 40 HGAB Cn1cc(-c2ccnc(NCc3cccnc3)c2)c([C@@H]2CCN(C(=O)C3CC3)C2)n1 257286618 PMFXOWNJOJZAME-LJQANCHMSA-N 402.502 3.215 0 40 HGAB CC(C)Cn1cnc2c1C1(CCN(C(=O)c3ccn(C)n3)CC1)Oc1ccccc1-2 306139415 SWRWYMWIDMPHSC-UHFFFAOYSA-N 405.502 3.464 0 40 HGAB COc1cccc(CN2CCC[C@@]3(CN(Cc4cc(C)n[nH]4)CC(F)(F)C3)C2=O)c1 306140006 UGRFAZIKYVYWJC-OAQYLSRUSA-N 418.488 3.377 0 40 HGAB COCCN1CC[C@]2(CN(Cc3cccc(F)c3)C[C@H]2c2cn(C(C)C)cn2)C1=O 306142630 XFANLWNYGVXSAO-NZQKXSOJSA-N 414.525 3.068 0 40 HGAB COc1ccc(S(=O)(=O)N(CC(=O)N2CCCCC2)C2CCCCC2)cc1OC 409005338 VBAIWQPQJZSCJZ-UHFFFAOYSA-N 424.563 3.040 0 40 HGAB O=C(NCCC1CCN(C(=O)c2ccc3cc[nH]c3n2)CC1)c1ccc2cc[nH]c2n1 555071780 VUZYMWMWIXISKG-UHFFFAOYSA-N 416.485 3.112 0 40 HGAB Cn1ccc2cc(C(=O)N3CC4(C[C@H](OCC5CCOCC5)CS4)C3)ccc21 575404930 WCMWIUKHHRTHKJ-IBGZPJMESA-N 400.544 3.322 0 40 HGAB Cn1c(C(F)(F)F)nn(C2CCN(C(=O)/C=C/c3ccccc3Cl)CC2)c1=O 575615474 OYZSCGCWMPQVKG-VOTSOKGWSA-N 414.815 3.131 0 40 HGAB O=C(CCc1ccccc1)N[C@H]1CCC12CCN(C(=O)c1cc(F)ncc1F)CC2 1565553804 JTKPRDJDWOFWPZ-IBGZPJMESA-N 413.468 3.494 0 40 HGAB Cc1cc(N2CCC(Cn3nc(-c4ccc(F)cc4)ccc3=O)CC2)n2nccc2n1 1775972995 AXAFFJSJBHWYRB-UHFFFAOYSA-N 418.476 3.317 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCc3ccccc3)C2)cc1Cl 1363729 HCBRRTCJRVPRIL-SFHVURJKSA-N 420.962 3.408 0 40 HGAB Cc1cc(C)cc(NS(=O)(=O)CCCS(=O)(=O)Nc2cc(C)cc(C)c2)c1 1672273 MMCCWJAGBNLHCM-UHFFFAOYSA-N 410.561 3.494 0 40 HGAB Cc1c(Cc2ccccc2)c(=O)oc2cc(OCC(=O)N3CCC[C@H]3C(=O)O)ccc12 2103805 ZXKZWCICKGRYPF-FQEVSTJZSA-N 421.449 3.147 0 40 HGAB biogenic CCCc1nnc(NC(=O)C[C@H](NC(=O)C(F)(F)F)c2ccc(OC)cc2)s1 2758041 DGQSNCRTFDBNET-LBPRGKRZSA-N 416.425 3.248 0 40 HGAB CCn1c(SCC(=O)NC(=O)NCc2ccccc2)nnc1-c1cccs1 3543086 XISKNZNWVKZINS-UHFFFAOYSA-N 401.517 3.145 0 40 HGAB Cc1ccc(S(=O)(=O)NC[C@@H](c2ccco2)S(=O)(=O)c2cccs2)cc1 4519422 IZLHAQHILSYDNT-INIZCTEOSA-N 411.526 3.143 0 40 HGAB CCOC(=O)c1cc(NC(=O)COc2ccc(CC)cc2)ccc1N1CCOCC1 4711566 HZCFMFNNMTVOFH-UHFFFAOYSA-N 412.486 3.280 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=S)NC(=O)c2ccco2)c1 4934880 ZKIAZECHFPVAIU-UHFFFAOYSA-N 415.924 3.090 0 40 HGAB Cn1nc(CC(=O)Oc2ccc(C(=O)c3ccc(F)cc3)cc2)c2ccccc2c1=O 5243480 PPDRTTNXAKITES-UHFFFAOYSA-N 416.408 3.452 0 40 HGAB Cn1c(Cc2ccccc2)nnc1SCc1nc(N)nc(Nc2ccccc2)n1 5260321 BIGNGYJPLRWKRM-UHFFFAOYSA-N 404.503 3.209 0 40 HGAB COc1ccc(CNC(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)cc1 5681241 MSSJBGYQOWQFRX-UHFFFAOYSA-N 410.495 3.450 0 40 HGAB CN(C)S(=O)(=O)c1cccc(NC(=O)COc2cc(Cl)cc(Cl)c2)c1 6001212 SYQSJIQMVUTZGF-UHFFFAOYSA-N 403.287 3.261 0 40 HGAB CNC(=O)NC(=O)[C@@H](OC(=O)CCCc1nc2ccccc2s1)c1ccccc1 6141127 KREQCVFIBLYOSJ-IBGZPJMESA-N 411.483 3.359 0 40 HGAB Cc1cc(=O)n2nc(COC(=O)CCCOc3ccc(Cl)cc3C)sc2n1 6654292 NPWIUARBCADLCC-UHFFFAOYSA-N 407.879 3.324 0 40 HGAB O=C(CNC(=O)C12CC3CC(CC(C3)C1)C2)OCc1nnc(-c2cccs2)o1 6933679 KEBCUSSGVJGFRM-UHFFFAOYSA-N 401.488 3.174 0 40 HGAB O=C(COc1ccc(OCc2ccccc2)cc1)Nc1cccc(-n2cnnn2)c1 7646321 SWFSHIZNJDSSOK-UHFFFAOYSA-N 401.426 3.259 0 40 HGAB CCOC(=O)c1cccc(NS(=O)(=O)c2cc(Br)ccc2OC)c1 7709568 JTDKFEJQOMKCJO-UHFFFAOYSA-N 414.277 3.435 0 40 HGAB NS(=O)(=O)c1ccc(NC(=O)c2cccc(OCCOc3ccccc3)c2)cc1 8563466 CFTJWTBQOXDMTC-UHFFFAOYSA-N 412.467 3.044 0 40 HGAB CC(=O)Nc1cccc(NC(=O)CSc2nnc(NC(=O)c3ccco3)s2)c1 8823272 NKBWHTMLJCRGSC-UHFFFAOYSA-N 417.472 3.073 0 40 HGAB COc1ccc(-c2ccc(=O)n(CCNC(=O)c3c(F)cccc3Cl)n2)cc1 9660852 SHRRPYZEBGIHQK-UHFFFAOYSA-N 401.825 3.141 0 40 HGAB Cc1cc(N2CCCC2)ccc1NC(=O)[C@H](C)NS(=O)(=O)c1ccccc1F 11574671 WNSIDAINQCLBFT-HNNXBMFYSA-N 405.495 3.040 0 40 HGAB COc1cc(OC)c(C2=CCN(C(=O)Cc3cn4ccsc4n3)CC2)c(OC)c1 11918638 AAEGJWNFICMTAU-UHFFFAOYSA-N 413.499 3.280 0 40 HGAB O=S1(=O)N[C@H](C2CCN(Cc3cccc4cccnc34)CC2)Nc2ccccc21 12089473 PODNQHWEGPUCFY-JOCHJYFZSA-N 408.527 3.177 0 40 HGAB CC[C@@H](C)NC(=O)CN1CCC[C@@H](c2c(-c3cc(C)no3)cnc3cc(C)nn23)C1 12121228 RIAIWMRSZSTERK-RHSMWYFYSA-N 410.522 3.095 0 40 HGAB CC(C)c1cc(C(=O)N2CCC[C@@H](c3nc4ccccc4cc3C(N)=O)C2)n(C)n1 12220348 YEDZRSFWYWPUTO-MRXNPFEDSA-N 405.502 3.210 0 40 HGAB C[C@H](NC(=O)CN1c2ccc(S(N)(=O)=O)cc2C[C@H]1C)c1cccc2ccccc12 12515217 FVAZMAHGFHRCBI-CVEARBPZSA-N 423.538 3.116 0 40 HGAB C[C@H]1C[C@@H]1c1ccc(CCC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)o1 12772997 JHKHMSAZQXXEMH-RDJZCZTQSA-N 420.506 3.008 0 40 HGAB COc1ccc(OCCC(=O)N[C@@H](CCSC)c2nnc3ccccn23)cc1 12791104 HHZMDCRBOPESOM-KRWDZBQOSA-N 400.504 3.117 0 40 HGAB Cc1cc(CNC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)ccc1F 12847310 ZJGRCERGXUOCMT-GOSISDBHSA-N 410.898 3.257 0 40 HGAB CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)NCCOc1ccccc1 12903993 ZVWGMBLKCLJJEL-GOSISDBHSA-N 406.935 3.387 0 40 HGAB C[C@@H](NC(=O)c1ccc(CN2C(=O)C(=O)N(C)C2=O)cc1)c1cccc2ccccc12 13000650 MYWKYYOQXZRECF-OAHLLOKOSA-N 415.449 3.251 0 40 HGAB O=C(c1ccco1)N1CCN(Cc2nc3scc(-c4ccccc4)c3c(=O)[nH]2)CC1 13117407 JCGQTAHVSXGZRF-UHFFFAOYSA-N 420.494 3.203 0 40 HGAB Cc1ccc(-n2ncc3c(C)nn(CC(=O)N4CCc5ccccc54)c(=O)c32)cc1C 13971106 BALKEYHYZRKBSE-UHFFFAOYSA-N 413.481 3.097 0 40 HGAB C[C@@H](C(=O)NCCSCc1ccco1)N(c1ccc(Cl)cc1)S(C)(=O)=O 14155412 GGWAXWLMVOLSIA-ZDUSSCGKSA-N 416.952 3.137 0 40 HGAB C[C@@H](NC(=O)[C@H]1CC(=O)N(Cc2ccccc2Cl)C1)c1ccc(-n2cncn2)cc1 14200046 JCVIXNUXKAVLHP-QAPCUYQASA-N 423.904 3.147 0 40 HGAB Cc1cccc(OCCCNC(=O)CN2c3cccc4cccc(c34)S2(=O)=O)c1 16278654 ZWXCEYLCOLBINY-UHFFFAOYSA-N 410.495 3.242 0 40 HGAB O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccc(Br)cc2)N1CCCO 16752282 BNXBHQUPZYCHCJ-KRWDZBQOSA-N 414.255 3.483 0 40 HGAB Cc1ccc2c(c1)C(=O)N([C@@H](C)C(=O)N[C@@H](c1ccc3c(c1)OCCO3)C(C)C)C2=O 17368196 GXHQVJUXLJOIRI-YCRPNKLZSA-N 422.481 3.264 0 40 HGAB Cc1cc(-c2cnc(NC3CC3)nc2C2CCN(C(=O)c3cscn3)CC2)on1 19123183 LDYUZWRJQZBMIX-UHFFFAOYSA-N 410.503 3.491 0 40 HGAB COc1ccc(OC)c(-c2csc(NC(=O)[C@H]3CC(=O)N(CC(C)C)C3)n2)c1 19447141 SKHFLXJNUPOAFV-ZDUSSCGKSA-N 403.504 3.270 0 40 HGAB CC(C)c1ncc(CN2CCC[C@H](c3ncc(Cl)cc3S(C)(=O)=O)C2)cn1 19454042 PFDMLIXURWWVKZ-HNNXBMFYSA-N 408.955 3.432 0 40 HGAB CCNC(=O)[C@]1(Cc2ccccc2-c2cncnc2)CCCN(C(=O)[C@H]2C[C@@H]2C)C1 19528419 ZVWXITKBPUOMQV-JBUDQFAYSA-N 406.530 3.087 0 40 HGAB CNC(=O)[C@@]1(Cc2ccc(-c3cccs3)cc2)CN(C(=O)c2ccccn2)CCO1 19591870 IVTLZJUMYBYJGZ-HSZRJFAPSA-N 421.522 3.010 0 40 HGAB Cc1cccn2c(=O)c(C(=O)NCc3cccc(CN4CCCCCC4)c3)cnc12 19663163 XMZRVDSDUDFJHT-UHFFFAOYSA-N 404.514 3.309 0 40 HGAB COc1ccc2c(c1)c(C[C@@H](C)NC(=O)c1sc3nc(C)[nH]c(=O)c3c1C)cn2C 19718944 FRWDBEMAKXODIL-LLVKDONJSA-N 424.526 3.463 0 40 HGAB Cc1nc([C@H]2CCN(Cc3ccnn3C)C2)nc2c1CCC(=O)N2CC1CCCCC1 19738840 MFQOUBVBFOSGJR-IBGZPJMESA-N 422.577 3.368 0 40 HGAB Cc1nc(C2CCN(C3CCOCC3)CC2)ncc1C(=O)NCc1ccc(F)cc1 19763897 QOBQOJZGWWBIIK-UHFFFAOYSA-N 412.509 3.213 0 40 HGAB CCN1CCN(C(=O)CSc2nc(-c3cccs3)cc(C(F)(F)F)n2)CC1 19913996 UZWFWYLYIHYOKW-UHFFFAOYSA-N 416.494 3.480 0 40 HGAB COc1ccc(C)cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(F)c(F)c2)C1 20016991 WWSANDAZGDYGAQ-AWEZNQCLSA-N 424.469 3.321 0 40 HGAB O=C(Cc1ccc2c(c1)CCCC2)Nc1cc(S(=O)(=O)N2CCCC2)ccc1O 21006370 HXYYSKUWDUGFAG-UHFFFAOYSA-N 414.527 3.237 0 40 HGAB C[C@@H](O)CNCCNCc1cc(Br)ccc1OCc1ccccc1F 22075573 RZRBAHQZIVMCLK-CQSZACIVSA-N 411.315 3.227 0 40 HGAB Cc1ccc(N2C(=O)C[C@H](C(=O)NCc3nnc4n3CCC4)[C@H]2c2cccs2)cc1 22192373 XZDUADNMSFYQKE-KKSFZXQISA-N 421.526 3.005 0 40 HGAB Cc1nc2sc([C@@H](c3cccc(Cl)c3)N3CCC4(CC3)OCCO4)c(O)n2n1 23157752 BAVHPZSLOHTDQI-OAHLLOKOSA-N 420.922 3.387 0 40 HGAB COc1cc(C)c(CN2CCN(C(=O)CCOc3ccccc3C)CC2)cc1OC 23731960 NWTIPOIYKLHCBA-UHFFFAOYSA-N 412.530 3.434 0 40 HGAB C[C@@H](NC(=O)c1cccc(CN2C(=O)CNC2=O)c1)c1cccc(C(F)(F)F)c1 25446507 BYLCEKXSEKSGAS-GFCCVEGCSA-N 405.376 3.248 0 40 HGAB CC(C)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NCCc1cn2ccccc2n1 25528038 FLBRGTIWSFKEBB-KIZRYQFWSA-N 422.573 3.350 0 40 HGAB CC(C)CN1C[C@H](C(=O)N2CCc3[nH]c4ccc(Br)cc4c3C2)CC1=O 30112486 BEYANXAWHGQOJQ-CYBMUJFWSA-N 418.335 3.320 0 40 HGAB CN(Cc1ccccc1N1CCOCC1)C(=O)C1CCN(C(=O)OC(C)(C)C)CC1 31507527 ACAONCHCCUANLB-UHFFFAOYSA-N 417.550 3.129 0 40 HGAB CCN(CC)C(=O)COc1ccc(NS(=O)(=O)c2cccs2)cc1Cl 31721164 YLJHMEYCOHLYDR-UHFFFAOYSA-N 402.925 3.450 0 40 HGAB O=C(NCc1csc(Br)c1)C1CCN(c2ccc(Cl)nn2)CC1 32581522 WYCSRHCAKXHSCQ-UHFFFAOYSA-N 415.744 3.487 0 40 HGAB CN(CC(=O)Oc1ccc(Cl)c2cccnc12)S(=O)(=O)c1ccc(F)cc1 32666037 POJPVOAKZIROMX-UHFFFAOYSA-N 408.838 3.253 0 40 HGAB O=C([C@H]1CCCO1)N1CCN(c2ncnc3cc(-c4ccc(F)cc4)sc23)CC1 33010971 XRGCBHDIZFJHGI-QGZVFWFLSA-N 412.490 3.325 0 40 HGAB C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCCCn1ccc2ccccc21 33028417 QENHLCDWHRKDTC-HNNXBMFYSA-N 419.934 3.168 0 40 HGAB CSc1ccc(-c2nc(O)c3c(S(C)(=O)=O)nn(-c4ccccc4)c3n2)cc1 35066935 XUFGDRHRXCGZBK-UHFFFAOYSA-N 412.496 3.314 0 40 HGAB CN1CCN(S(=O)(=O)c2cc(Br)c3cccc4c3c2CCC4)CC1 36057237 BTQYVNXLNOXFIG-UHFFFAOYSA-N 409.349 3.027 0 40 HGAB CCN(Cc1ccccc1NC(=O)NCCc1cc(F)cc2c1OCOC2)C(C)=O 40120416 STJGVYWVBHFMJK-UHFFFAOYSA-N 415.465 3.425 0 40 HGAB Cc1cc(C)n2nc(CC(=O)Nc3nc(-c4c(F)cccc4F)cs3)nc2n1 40133865 QXNMPDJIEYYKSF-UHFFFAOYSA-N 400.414 3.324 0 40 HGAB COc1ccc(NC(=O)N2CCc3c(c(=O)c4cc(F)ccc4n3C)C2)c(OC)c1 49008144 PEYJPTQGBAJMAS-UHFFFAOYSA-N 411.433 3.285 0 40 HGAB COc1cccc(CN(c2cccc(OC)c2)S(=O)(=O)c2ccc3nncn3c2)c1 49408280 RCGZVPMSVHFAKJ-UHFFFAOYSA-N 424.482 3.142 0 40 HGAB Cc1ccccc1N(CC(=O)N1CCc2c([nH]c3ccccc23)[C@@H]1C)S(C)(=O)=O 55736483 ZRLAZQQORSDNMA-INIZCTEOSA-N 411.527 3.388 0 40 HGAB O=C(NCC1(c2ccc(Cl)cc2)CCOCC1)NC1CCN(C(=O)C2CC2)CC1 56949191 ZDUTZLRJNZSBSN-UHFFFAOYSA-N 419.953 3.088 0 40 HGAB Cc1sc2nc(CN3CCC(n4c(=O)[nH]c5ccccc54)CC3)nc(N)c2c1C 58380386 DDZNIJKSVMGUOL-UHFFFAOYSA-N 408.531 3.370 0 40 HGAB CCOc1ccccc1CNC(=O)c1cn(-c2cc(-c3nc(CC)no3)ccn2)cn1 71768516 ABODQJZRKLMMDV-UHFFFAOYSA-N 418.457 3.208 0 40 HGAB CNc1nc([C@@H]2CCCCN2C)nc2c1CCN(C(=O)CCc1ccc(OC)cc1)C2 72376550 GCTMHUFQFRBGOP-NRFANRHFSA-N 423.561 3.201 0 40 HGAB CNS(=O)(=O)c1ccc(NC[C@H](c2ccc(OC)cc2)N2CCCCC2)c(F)c1 89395790 XEYSIVKEFRGESI-OAQYLSRUSA-N 421.538 3.382 0 40 HGAB Cc1cc(C(=O)N2CC[C@@H]3[C@@H](CCC(=O)N3C3CC3)C2)c(C)n1Cc1ccccn1 89577947 AEEMXFTYNCXEOX-PGRDOPGGSA-N 406.530 3.164 0 40 HGAB O=C(c1ccc2ncccc2c1)N1CCC[C@]2(COCCN(c3cccnc3)C2)C1 96076460 MSURNKRJIDQHMJ-XMMPIXPASA-N 402.498 3.389 0 40 HGAB CCS(=O)(=O)[C@](Cl)(I)[C@H](O)c1cccc(Cl)c1 96520083 BGNQGIPTHGWQLU-NXEZZACHSA-N 409.072 3.136 0 40 HGAB COc1ccc(N2C(=O)[C@@H]3[C@@H](N=NN3Cc3ccc(Cl)cc3)C2=O)cc1Cl 101169228 GXJBAEVXEWZFHZ-CVEARBPZSA-N 405.241 3.495 0 40 HGAB CN(C)[C@@H](CNC(=O)CNC(=O)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2)c1cccs1 102375423 GXPDZWPXUYERSJ-UVQFAXKASA-N 424.010 3.161 0 40 HGAB O=C(CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)Nc1ccccc1N1CCc2ccccc21 103102995 NAORTVDTTLTIDW-ROUUACIJSA-N 401.466 3.271 0 40 HGAB Cc1cc(S(=O)(=O)N2CCCCC2)ccc1OCC(=O)N(C)c1ccc(F)cc1 222784258 XXAMVHWCZSOXQA-UHFFFAOYSA-N 420.506 3.351 0 40 HGAB Cc1cc(C(=O)NC[C@@H]2CCCO2)ccc1NS(=O)(=O)c1ccc(Cl)cc1 224004490 ZAOUXNJQYYMLSL-INIZCTEOSA-N 408.907 3.358 0 40 HGAB CCOC(=O)N1CCN(C(=O)c2ccc(OC)c(COCc3ccccc3)c2)CC1 224355465 IKDQDWVRUIWUMH-UHFFFAOYSA-N 412.486 3.326 0 40 HGAB CCN(CCNC(=O)c1cccc(N2CCCCS2(=O)=O)c1)c1ccc(C)cc1 224394769 KPXOWHUVFOGIFK-UHFFFAOYSA-N 415.559 3.181 0 40 HGAB Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)NC[C@H](C)c3ccccc3)s2)cc1 225138444 FTLSYWKSWXZALF-AWEZNQCLSA-N 416.528 3.181 0 40 HGAB CC[C@H](NC(=S)Nc1ccc2c(c1)OCCO2)c1ccc(S(C)(=O)=O)cc1 225724038 FZYZMSLTYCHOSZ-INIZCTEOSA-N 406.529 3.299 0 40 HGAB COc1ccc(S(=O)(=O)N2C[C@@H]3CCC[C@](O)(c4cccc(OC)c4)[C@H]3C2)cc1 248253037 QPMMISZFLHJFTA-SSKFGXFMSA-N 417.527 3.012 0 40 HGAB C[C@]12CCN(S(=O)(=O)Cc3ccccc3F)[C@H]1CCC(=O)N2Cc1ccccc1 257233800 GQUCNZGMZUZGRQ-UNMCSNQZSA-N 416.518 3.311 0 40 HGAB S=C1N[C@H](c2ccccn2)[C@H](c2cccn2-c2ccccn2)N1C[C@H]1CCCO1 260919730 NGKHULDQHTYIKC-HBGVWJBISA-N 405.527 3.419 0 40 HGAB Cc1ccc2c(c1)O[C@H](C(=O)N[C@H](C)c1cc(C)c(C)cc1C)CN2S(C)(=O)=O 260949413 XCBJFDUXTPYFHH-UTKZUKDTSA-N 416.543 3.325 0 40 HGAB Cc1ccccc1CC(=O)N1CCC2(CC1)CN(C)C(=O)c1cnc(C(C)(C)C)nc12 306134614 NTNZKVBRHSFSHM-UHFFFAOYSA-N 420.557 3.271 0 40 HGAB O=C(c1ccccc1Br)N1CC[C@@H](c2ccccc2)S(=O)(=O)CC1 390831975 WJZUXZQTNBWIFL-KRWDZBQOSA-N 408.317 3.451 0 40 HGAB Cc1cc(C)c(NC(=O)[C@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)c(C)c1 408702591 BXIPZEPQDBQCKH-INIZCTEOSA-N 418.515 3.176 0 40 HGAB O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CC[C@@H](Oc2ccncc2Cl)C1 575611087 TXRKJHITBNSMKR-GFCCVEGCSA-N 422.812 3.476 0 40 HGAB CCOc1cccc2c1OCCCCCNC(=O)CN(Cc1ncccc1F)C2 643574750 NWSWRTFDYKRWMU-UHFFFAOYSA-N 401.482 3.301 0 40 HGAB COCCN(C[C@H]1CCCN2CCCC[C@H]12)C(=O)Nc1ccc(C(=O)OC)cc1 1565520553 WBAKMLPKKFXQPV-UYAOXDASSA-N 403.523 3.218 0 40 HGAB biogenic O=C(COc1ccccc1OCc1ccccc1)Nc1ccccc1-c1nn[nH]n1 1631193225 KLWBDIVSVOZYSB-UHFFFAOYSA-N 401.426 3.463 0 40 HGAB NC(=O)N[C@H](CC(=O)OCC(=O)Nc1ccc2c(c1)CCC2)c1ccc(Cl)cc1 2647977 HPABKGPGLIWYBP-GOSISDBHSA-N 415.877 3.110 0 40 HGAB Cc1cc(C)c(NC(=O)COC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)c(Cl)c1 3479317 RPJMTCRGOAWYLC-CYBMUJFWSA-N 414.845 3.123 0 40 HGAB CCOC(=O)[C@H](CC)Sc1ccc2nnc(-c3ccc(OC)c(OC)c3)n2n1 4165192 DTPDZRKMGBWHTB-HNNXBMFYSA-N 402.476 3.242 0 40 HGAB CCCc1nnc(SCC(=O)Nc2ccc(OC)c(OC)c2)n1-n1cccc1 4518555 YABDMKPJOGQPAN-UHFFFAOYSA-N 401.492 3.092 0 40 HGAB O=C(C1CCCCC1)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 4520598 QGAHPUZCFLACCA-UHFFFAOYSA-N 400.910 3.115 0 40 HGAB COCCCn1c(C(=O)N[C@H]2CCCC[C@H]2C)cc2c(=O)n3cccc(C)c3nc21 5243329 BAWCCJGOXNSHNZ-QAPCUYQASA-N 410.518 3.303 0 40 HGAB CC1(C)C[C@H](n2nc(O)c3c2NC(=O)CS[C@H]3c2ccc3c(c2)OCO3)CCO1 5862061 JAQOCFQWSLJDLY-PXAZEXFGSA-N 417.487 3.222 0 40 HGAB O=C(Cc1cccc2ccccc12)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 6376037 TYYYZUCEKXCRTO-UHFFFAOYSA-N 412.486 3.055 0 40 HGAB CCOc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(CC)CC3)cc2)cc1 6517671 LXPGXFWRGKOSJW-UHFFFAOYSA-N 412.559 3.354 0 40 HGAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)CN2c3ccccc3C[C@H]2C)c1 6549660 FZJCHEFDIHSSHN-MRXNPFEDSA-N 401.532 3.107 0 40 HGAB CCC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2)cc1 6946789 YMGDFVDKBXKBHD-DLBZAZTESA-N 404.532 3.410 0 40 HGAB COc1ccccc1N1C(=O)/C(=C/C=C/c2ccc(N(C)C)cc2)C(=O)NC1=S 6948715 ZMKVVERJWDTYFX-WMAWMELHSA-N 407.495 3.149 0 40 HGAB CCCCNS(=O)(=O)c1cccc(NS(=O)(=O)c2ccccc2Cl)c1 7423556 QICVHUSBGCOJAB-UHFFFAOYSA-N 402.925 3.219 0 40 HGAB CN(C)S(=O)(=O)c1cc(NC(=O)c2ccccc2OC(F)F)ccc1Cl 8075392 MNUAHPMVJMEWGC-UHFFFAOYSA-N 404.822 3.444 0 40 HGAB COC(=O)c1ccc2c(=O)[nH]c(COC(=O)c3ccc4[nH]c(C)c(C)c4c3)nc2c1 8134490 LKRIHZXSAJTDLO-UHFFFAOYSA-N 405.410 3.165 0 40 HGAB COc1ccc(-c2nnn(C3CCN(C(=S)Nc4ccccc4)CC3)n2)cc1OC 8694572 VFOXXMPYZLCLPG-UHFFFAOYSA-N 424.530 3.391 0 40 HGAB O=C(NCc1ccccc1F)c1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1 8719062 JQXYEBCDYRXJQY-UHFFFAOYSA-N 409.442 3.317 0 40 HGAB C[C@H](NC(=O)CN1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1)c1cccs1 8943425 JFZRYBGBWQVMNT-AWEZNQCLSA-N 415.515 3.005 0 40 HGAB COc1ccc(C(=O)N[C@@H](C)c2ccccc2)cc1S(=O)(=O)N1CCCCC1 9063747 CBTGOVDZPYVZIO-INIZCTEOSA-N 402.516 3.361 0 40 HGAB COc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1ccc(Br)cc1F 9508676 MNYGMMRLWCAVDC-UHFFFAOYSA-N 417.256 3.356 0 40 HGAB CCCNS(=O)(=O)c1cc(C(=O)Nc2ccc(OC)cc2)ccc1N1CCCC1 10009893 SSBAVMMPZZDHCU-UHFFFAOYSA-N 417.531 3.236 0 40 HGAB Cc1csc(NC(=O)COC(=O)CCc2c(C)nc3c4ccccc4nn3c2C)n1 10815210 NPOROIKIVGSHCK-UHFFFAOYSA-N 423.498 3.379 0 40 HGAB CC(=O)NCCc1ccc(-c2csc(NC(=O)Cc3c(C)nn(C)c3C)n2)cc1 10822180 ZKQXYKJVHIOWRH-UHFFFAOYSA-N 411.531 3.020 0 40 HGAB COc1ccc(OCC(=O)N2CCC[C@@H](c3nc(O)cc(-c4ccccn4)n3)C2)cc1 12256823 MRHYOELOXWMZGD-MRXNPFEDSA-N 420.469 3.038 0 40 HGAB COc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N3C[C@H](C)O[C@H](C)C3)c2)cc1 12525932 INXPVAWIXOVMLZ-IYBDPMFKSA-N 418.515 3.054 0 40 HGAB Cc1cc2nc(C)c(CCC(=O)N[C@@H](C)c3ccc(-n4cncn4)cc3)c(C)n2n1 12594412 JSKHUNNEGSSIBR-HNNXBMFYSA-N 403.490 3.045 0 40 HGAB C[C@@H]1CN(C(=O)c2ccccc2NC(=O)CCc2ccc3c(c2)OCO3)C[C@@H](C)O1 12904826 KLWDENZERPOAMA-HZPDHXFCSA-N 410.470 3.236 0 40 HGAB Cc1ccc([C@@H]2[C@@H](C(=O)OCC(C)C)C(=O)C[C@](C)(O)[C@@H]2C(=O)OCC(C)C)cc1 13552793 HPCNXPUAEASMIE-XBJMDHIQSA-N 418.530 3.433 0 40 HGAB Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1cccc3ccccc13)[C@H]1C(=O)c3ccccc3C1=N2 13563623 NDPRFSHOADVYGZ-VQTJNVASSA-N 421.456 3.316 0 40 HGAB CCS(=O)(=O)N(CC(=O)Nc1cccc(Cl)c1C)c1ccc2c(c1)OCO2 14396378 BNWLWOLRBFOVDW-UHFFFAOYSA-N 410.879 3.172 0 40 HGAB NC(=O)COc1ccc([C@@H]2CC(=O)Nc3c2sc(C(=O)O)c3-c2ccccc2)cc1 15107428 CJGSOGSBHQEHMW-HNNXBMFYSA-N 422.462 3.452 0 40 HGAB COC(=O)c1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)cc1 15420344 VCNYKSZOMUCBGC-UHFFFAOYSA-N 422.890 3.163 0 40 HGAB Cc1ccc(-n2nnc3c(N4CCN(C(=O)CCC5CCCC5)CC4)ncnc32)cc1 15883974 DSWQOPLZQIFXQQ-UHFFFAOYSA-N 419.533 3.138 0 40 HGAB O=C(CNS(=O)(=O)c1ccc(NC(=O)c2cccc(F)c2)cc1)c1ccccc1 18199866 GCRFBWJTHHLRSU-UHFFFAOYSA-N 412.442 3.239 0 40 HGAB Cn1nc(-c2cccnc2)cc1CN1CCC(NC(=O)CCc2ccccc2)CC1 19288972 IKZOAGGBDXFSIX-UHFFFAOYSA-N 403.530 3.196 0 40 HGAB CCN1CCN(Cc2nccn2CC)C[C@H](Cc2ccccc2-c2cccnc2)C1=O 19578124 QDJRATZGEHZLBA-QFIPXVFZSA-N 417.557 3.488 0 40 HGAB Cc1nc2ncnn2c(C)c1CCC(=O)N1CCC[C@@H](COc2ccc(F)cc2)C1 19578518 AGZTYMRMHBWXFN-QGZVFWFLSA-N 411.481 3.130 0 40 HGAB CNC(=O)[C@]1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)Cc2ccccn2)C1 19591523 XTEHJGQZKIKJKF-SANMLTNESA-N 413.521 3.499 0 40 HGAB Cc1nn(C)cc1C(=O)N1CCCC[C@H]1c1ncccc1C(=O)NCc1ccccc1 19699008 DLIDENSSNTUPSV-NRFANRHFSA-N 417.513 3.421 0 40 HGAB CC(C)NC(=O)c1cc([C@H]2CCN(Cc3cnc(N(C)C)nc3)C2)nc2ccccc12 19761241 BGEJTGBFZKJVDJ-SFHVURJKSA-N 418.545 3.219 0 40 HGAB COc1cc(CN2CCC(N3CCN(c4ccccc4)CC3)CC2)cc(OC)c1O 20064772 GIJUQPBOQFXUQK-UHFFFAOYSA-N 411.546 3.196 0 40 HGAB CCN(Cc1ccc2c(c1)OCCO2)C(=O)c1cc(NC(C)=O)cc(NC(C)=O)c1 22189730 MZJWRRVYFVZWMQ-UHFFFAOYSA-N 411.458 3.037 0 40 HGAB COc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2cccc(Cl)c2)c1 22229781 JRHXJXMFHNQUCN-QGZVFWFLSA-N 408.907 3.449 0 40 HGAB CCOc1ccc(-c2nn(CN3CCN(Cc4ccccn4)CC3)c(=S)o2)cc1 22924737 ZGNCHNSHTGBCLK-UHFFFAOYSA-N 411.531 3.442 0 40 HGAB O=C(CCn1cnc2sccc2c1=O)NCc1ccc(OCC(F)(F)F)cc1 23055054 IJAMEWXMGPBSBN-UHFFFAOYSA-N 411.405 3.106 0 40 HGAB Cc1cc(C(=O)N(CCCN2CCOCC2)c2nc3c(F)cc(F)cc3s2)on1 23128095 CBZLVBHEJURUJB-UHFFFAOYSA-N 422.457 3.240 0 40 HGAB Cc1cccc(-c2nnc(S)n2CC(=O)NC[C@H](c2cccs2)N(C)C)c1 24829332 IZQCKDOZJNKCRW-OAHLLOKOSA-N 401.561 3.023 0 40 HGAB O=C(c1ccc(F)cc1Cl)N1CCN(Cc2nc(Cc3ccccc3)no2)CC1 25441820 SDXYMWDTLHNKPW-UHFFFAOYSA-N 414.868 3.411 0 40 HGAB COC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)CCc2cccs2)CC1 30685038 CIVRXEDPUGTOIA-LJQANCHMSA-N 406.935 3.393 0 40 HGAB CCn1c(-c2cc(Cl)c(O)c(OC)c2)nc2cc(S(=O)(=O)N(C)C)ccc21 32668212 FNASFROXLYUIQA-UHFFFAOYSA-N 409.895 3.341 0 40 HGAB COC(=O)c1cc(OC)c(OC(F)F)cc1NC(=O)CC1(C(=O)O)CCCC1 32900787 MXTOQUSHUFMYMC-UHFFFAOYSA-N 401.362 3.057 0 40 HGAB CCN(CC)C(=O)N1CCN(Cn2nc3cc(C)c4ccccc4n3c2=S)CC1 32923243 HSMJCSGIBSSTGG-UHFFFAOYSA-N 412.563 3.364 0 40 HGAB CCOC(=O)[C@H]1CSCCN1C(=O)c1nc(-c2ccccc2)n2c1CCCCC2 33016126 VNAQKJPAJSPWSP-GOSISDBHSA-N 413.543 3.397 0 40 HGAB CC(C)N1CCC(NC(=O)c2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)CC1 35268867 VTOQKBDOAOZJRI-UHFFFAOYSA-N 419.522 3.229 0 40 HGAB Cc1nnc(SCC(=O)NCc2ccc3c(c2)OCCCO3)n1-c1ccccc1 35511656 LVXPYOKQXKOPHS-UHFFFAOYSA-N 410.499 3.146 0 40 HGAB COc1ccc(-c2cc(C(=O)N[C@H](C)c3cnn(C)c3C)c3cnn(C)c3n2)cc1 36613494 CTAIJDJJGFCQAY-CYBMUJFWSA-N 404.474 3.177 0 40 HGAB CCOc1ccccc1N1CCN(C[C@H](O)c2ccc3c(c2)CCCN3C(C)=O)CC1 36741205 MZZZGUYQWVULCU-DEOSSOPVSA-N 423.557 3.240 0 40 HGAB CCOc1ccc2nc(NC(=O)c3cc(S(=O)(=O)N4CCCC4)c[nH]3)sc2c1 39995502 NOIWSZVCRXZAMH-UHFFFAOYSA-N 420.516 3.060 0 40 HGAB COc1ccc(OC)c([C@@H](C)NC(=O)C2CCN(C(=O)NCc3ccco3)CC2)c1 40131384 QLRLPKHZMOOCLI-OAHLLOKOSA-N 415.490 3.096 0 40 HGAB O=C(Nc1nc(-c2ccccn2)n[nH]1)[C@H]1CCCN(c2ncccc2C(F)(F)F)C1 40154825 IANPBEJLUPEVGR-LBPRGKRZSA-N 417.395 3.136 0 40 HGAB CN(C)[C@@H](CNS(=O)(=O)c1ccc(Br)s1)c1cccc(F)c1 47032805 PONZQJLXKHCDRY-LBPRGKRZSA-N 407.330 3.231 0 40 HGAB CSc1cccc(NC(=O)[C@@H]2CC(O)=Nc3c2c(=O)[nH]c(=O)n3CCC(C)C)c1 49551194 ZUTOKBBCEPXYAW-CQSZACIVSA-N 416.503 3.019 0 40 HGAB Cc1cccc(N2CCN(CN3C(=O)[C@@H](C)N(c4ccc(F)cc4)C3=O)CC2)c1C 49622733 BKMOMCFZDBKMJL-GOSISDBHSA-N 410.493 3.379 0 40 HGAB CCCn1c(SCC(=O)NCc2ccc3c(c2)OCO3)nc2ccsc2c1=O 57425280 OKGVLONDZIRDJN-UHFFFAOYSA-N 417.512 3.005 0 40 HGAB Cc1cccc(Cl)c1NC(=O)Cn1nc2nc(Nc3ccccc3)ccn2c1=O 57507498 KJECWZSDOHERJK-UHFFFAOYSA-N 408.849 3.235 0 40 HGAB O=C(CNc1ccccc1I)N1CCN(c2ccccc2)CC1 57816007 SUOQWHPXNDQOSW-UHFFFAOYSA-N 421.282 3.052 0 40 HGAB Cc1cc(C)cc(C(=O)N2CCN(C(=O)NCc3ccccc3CN(C)C)CC2)c1 58438530 UAVYKVKSLOEPDQ-UHFFFAOYSA-N 408.546 3.033 0 40 HGAB Cc1ccc(NC(=O)c2ccc3nnc([C@H]4CCN(C(=O)N(C)C)C4)n3c2)c(C)c1 63527517 YQPNVWKRNIDVLI-INIZCTEOSA-N 406.490 3.069 0 40 HGAB CCOc1ccccc1-n1ccn(CC(=O)Nc2cccc(C(C)C)c2)c(=O)c1=O 67256735 HQUWSFAJAPAUNX-UHFFFAOYSA-N 407.470 3.160 0 40 HGAB COc1cc(C)c2[nH]c3c(c(=O)c2c1)CN(CC(=O)Nc1cc(F)cc(F)c1)CC3 67349974 QPJCLINOOUBTNN-UHFFFAOYSA-N 413.424 3.120 0 40 HGAB O=C1N[C@@]2(COC3(CCN(C(=O)c4cc5c(s4)CCC5)CC3)C2)Nc2ccccc21 72325304 VAPWAMLRAARLQZ-QHCPKHFHSA-N 423.538 3.184 0 40 HGAB NC(=O)c1ccc(-c2cnc(N)nc2[C@H]2CCCN(Cc3ccc(F)cc3)C2)cc1 72345900 CQLGSAYMSPGHGD-SFHVURJKSA-N 405.477 3.343 0 40 HGAB CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@]12NC(=O)N(Cc1cccc(F)c1)C2=O 95405512 QVLADQDXUGMXDM-BTYIYWSLSA-N 405.470 3.331 0 40 HGAB CCN(CC)CCCNC(=O)[C@H]1c2c(ncn2C(C)C)CCN1Cc1ccccc1 96037539 XLAHITNAXYYABG-HSZRJFAPSA-N 411.594 3.412 0 40 HGAB O=S(=O)(NCCn1nc(C2CC2)cc1C1CC1)c1ccccc1Br 96121778 HSCAGUDVMKHFGD-UHFFFAOYSA-N 410.337 3.379 0 40 HGAB O=C(NCCN1C(=O)S/C(=C/c2ccc(OC(F)F)cc2)C1=O)c1ccco1 97986009 JWIKFEGJTSGFTL-GXDHUFHOSA-N 408.382 3.347 0 40 HGAB COc1ccc(S(=O)(=O)NCc2cccc(OC(C)C)c2)cc1N1CCCC1=O 113949561 LMSIPGNRQAJXNS-UHFFFAOYSA-N 418.515 3.088 0 40 HGAB O=C(/C=C/c1ccc2c(c1)OCO2)N[C@@H]1CCN(c2ccc(C(F)(F)F)cn2)C1 206786371 SCPOQCQEPUOLRT-OYLQIYHASA-N 405.376 3.237 0 40 HGAB Cc1ccccc1CNC(=O)[C@@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 216420234 KWUNEYAGYWAKFM-JOCHJYFZSA-N 414.571 3.286 0 40 HGAB Cc1ccccc1N(CCCC(=O)NCCSCc1ccco1)S(C)(=O)=O 222553937 ISELYEULMVTPQC-UHFFFAOYSA-N 410.561 3.184 0 40 HGAB 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COc1ccc(OC)c(-c2cc(-c3cccs3)nc3c2c(=O)n(C)c(=O)n3C)c1 32655436 ARQHICXKJGVEBX-UHFFFAOYSA-N 409.467 3.045 0 40 HGAB CCn1c(=O)c2ccccc2n2c(CN3CCN(c4ccccc4Cl)CC3)nnc12 32753259 HPZVWZHIDLBPHK-UHFFFAOYSA-N 422.920 3.040 0 40 HGAB C[C@H](CNC(=O)C[C@@H](NC(N)=O)c1ccc(Br)cc1)c1ccccc1 32795966 AGHMIKIRVIJGQK-CXAGYDPISA-N 404.308 3.469 0 40 HGAB COC(=O)c1ccc(OC[C@H](O)CSc2nnc(C)n2-c2cccc(C)c2)cc1 32854114 JLZAEHGMSCYTRH-SFHVURJKSA-N 413.499 3.203 0 40 HGAB O=C(/C=C/C(=O)N1CCCc2ccccc21)NCc1cccc(NC(=O)C2CC2)c1 32857519 OZGQTRVMISDSBB-OUKQBFOZSA-N 403.482 3.187 0 40 HGAB Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)N(C)[C@H]1CCS(=O)(=O)C1 32900069 OGCSPTPUPRWPCQ-ZDUSSCGKSA-N 418.462 3.396 0 40 HGAB Cc1cc2ccccc2n1CC(=O)N1CCN(c2ccc(Br)cn2)CC1 32914651 MTYFURZGUDEQOV-UHFFFAOYSA-N 413.319 3.456 0 40 HGAB Cc1noc(C)c1CN1CCN(C(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)CC1 32931380 MNPDGAPVIMCPLL-UHFFFAOYSA-N 422.533 3.452 0 40 HGAB CCc1cccc2c(/C=C3\NC(=S)N(C)C3=O)cn(CC(=O)NC3CCCCC3)c12 39556631 WTSXNCPFNOPFPM-UNOMPAQXSA-N 424.570 3.340 0 40 HGAB O=C(Nc1ccc2c(c1)OCO2)[C@H]1CC(=O)N(c2ccccc2Br)C1 40068794 PJSPUZJCGMJJOS-NSHDSACASA-N 403.232 3.169 0 40 HGAB COc1cc(OC)c(C2=CCN(C(=O)c3cnn4c(C)cc(C)nc34)CC2)c(OC)c1 40069187 DJCUGSIBLJGTQI-UHFFFAOYSA-N 422.485 3.301 0 40 HGAB CC1CCC(NC(=O)CN2C(=O)N[C@@](C)(c3cccc(C(F)(F)F)c3)C2=O)CC1 40116739 OISHMXXEDBWVAH-JBAZFKOSSA-N 411.424 3.167 0 40 HGAB O=C(/C=C/c1ccco1)N1CCC(CNS(=O)(=O)/C=C/c2ccccc2)CC1 43960441 FLZHJQYBHCSBQW-LFZNACJFSA-N 400.500 3.122 0 40 HGAB O=S(=O)(NC[C@H](c1ccco1)N1CCCC1)c1ccccc1OC(F)(F)F 48325208 GUYUCBLKZMTKDU-CYBMUJFWSA-N 404.410 3.294 0 40 HGAB Cc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)Nc1cccnc1N1CCOCC1 56163874 BFKAHEGKEUXXCL-ZHACJKMWSA-N 403.486 3.373 0 40 HGAB Cc1ccc(S(C)(=O)=O)c(NC(=O)N2CCC([C@@H](O)c3ccccc3)CC2)c1 56775590 BOERBCRKSQNWRT-FQEVSTJZSA-N 402.516 3.376 0 40 HGAB Cc1ccc(-n2c(=O)c3sccc3n(CC(=O)NC3CCCCC3)c2=O)cc1C 57490961 TYTNDVUMRGGOKK-UHFFFAOYSA-N 411.527 3.280 0 40 HGAB NC(=O)C1CCN([C@H](c2ccccc2Cl)c2nnnn2C2CCCCC2)CC1 57669535 GNDTVIRVLXJSOY-GOSISDBHSA-N 402.930 3.118 0 40 HGAB C[C@@H]1C[C@@H](C)CN(Cc2ccccc2CNC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)C1 58144109 ZTFOQFMVYLFUOG-WOIUINJBSA-N 423.557 3.422 0 40 HGAB O=C(NCc1cc(Cl)c2c(c1)OCCCO2)[C@@H]1CCCN(C(=O)N2CCCC2)C1 58342034 PVYIOASMUFPHFX-MRXNPFEDSA-N 421.925 3.045 0 40 HGAB CCc1ccc(NC(=O)CSc2nnc3c(=O)n(-c4ccccc4)ccn23)cc1 64593429 CHYYJVVEPDKOAP-UHFFFAOYSA-N 405.483 3.173 0 40 HGAB Cc1ccc(C)c2sc(N(C)CC(=O)N3CCN(c4ccccc4O)CC3)nc12 70973975 NLMDPYKNTLYTNF-UHFFFAOYSA-N 410.543 3.404 0 40 HGAB Cc1nn(C(C)C)c(C)c1NC(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1ccc(Cl)cc1 72241273 YVRJJBNOGUVVOZ-RBUKOAKNSA-N 404.898 3.271 0 40 HGAB O=C(Nc1cccnc1-n1cc(Br)cn1)c1cc(=O)c2ccccc2o1 72403892 DUAKDHDLODPIED-UHFFFAOYSA-N 411.215 3.389 0 40 HGAB O=C(Nc1ccc(Br)cc1F)c1cn(C[C@H](O)c2ccccc2)nn1 77197162 HSDKZEDJDIGHCQ-INIZCTEOSA-N 405.227 3.166 0 40 HGAB CC[C@H](NC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1)c1nnc2n1CCCCC2 78733113 ACZVECDTRDBJPF-PBHICJAKSA-N 415.925 3.278 0 40 HGAB COc1ccc([C@@H](O)[C@@H]2CCCN2C(=O)CCc2nc(-c3ccsc3)no2)cc1 95432313 MKAIXMIZJFJEBC-FXAWDEMLSA-N 413.499 3.464 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc4[nH]ccc34)CC2)cc1 95473173 UFZOCJNCLYYUAT-UHFFFAOYSA-N 413.499 3.216 0 40 HGAB COC(=O)C[C@H](c1cnn(C)c1)c1oc(CSc2ccccc2F)cc(=O)c1O 95475999 UHJSLJWJDDALKH-CQSZACIVSA-N 418.446 3.205 0 40 HGAB O=S(=O)(NCC1CCN(Cc2ccsc2)CC1)c1ccc2c(c1)OCCCO2 96025841 WGCRRTVECYMLPJ-UHFFFAOYSA-N 422.572 3.100 0 40 HGAB O=S(=O)(c1ccc(Cl)s1)N1CCC(c2nnc(C(F)(F)F)o2)CC1 96340587 HCUOLJRQYMQBTG-UHFFFAOYSA-N 401.819 3.372 0 40 HGAB CC(=O)Nc1ccc(C(=O)NCCN2C(=O)S/C(=C/c3ccccc3)C2=O)cc1 96585741 IDPUPCIFGROXRR-QGOAFFKASA-N 409.467 3.111 0 40 HGAB Cc1ccc(C(=O)C2=NO[C@H]3C(=O)N(c4cc(Cl)ccc4Cl)C(=O)[C@H]23)cc1 100354724 KVWVIBCSXXTJSX-RHSMWYFYSA-N 403.221 3.429 0 40 HGAB CCOC(=O)c1ccc(NC(=O)[C@@H](CC(C)C)N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1 100971783 JISFDOMZXOEMIN-LERVOYGESA-N 424.497 3.024 0 40 HGAB Cc1ccc(S(=O)(=O)Nc2ncc(C(=O)Nc3cccc(Cl)c3)cn2)cc1 107959041 VNHVJHVDMISDTF-UHFFFAOYSA-N 402.863 3.492 0 40 HGAB NC(=O)COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1 223299698 KXFRCSKEOAEFAJ-UHFFFAOYSA-N 408.785 3.024 0 40 HGAB Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)N(C)[C@@H]3CCCC[C@H]3O)c2)cc1 224148863 JDVODWXQUJUDQS-NHCUHLMSSA-N 416.543 3.196 0 40 HGAB COc1ccccc1OCC(=O)N(CCc1ccccc1)[C@H](C)C(=O)NCC(C)C 224484494 FCOBUUJFQAAUSI-LJQANCHMSA-N 412.530 3.306 0 40 HGAB CCOc1ccc(S(=O)(=O)N(CC(=O)O)c2cccc(Br)c2)cc1 224582857 WFRGBXDHUROVEW-UHFFFAOYSA-N 414.277 3.128 0 40 HGAB CSc1ccc(S(=O)(=O)NCCOc2ccc(C)c(C)c2)cc1NC(C)=O 225180248 NONKHLINDBZSJC-UHFFFAOYSA-N 408.545 3.341 0 40 HGAB Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)n1C 225500879 NEQVUSRWAHSROE-LEWJYISDSA-N 405.527 3.340 0 40 HGAB COc1cc(C)c(S(=O)(=O)N(C)Cc2nc(-c3ccccc3C)no2)c(C)c1 225620716 XHSFITPVTHBMMI-UHFFFAOYSA-N 401.488 3.491 0 40 HGAB O=C(Cn1ccc(=O)c2cc(Br)ccc21)Nc1ccc2c(c1)OCO2 225729113 ZCMSPUWRNNOIQY-UHFFFAOYSA-N 401.216 3.131 0 40 HGAB CCN(CC(=O)N1c2ccccc2C[C@@H]1C)S(=O)(=O)c1ccc(OC)c(Cl)c1 226070944 PZXNGODJQSEGDB-AWEZNQCLSA-N 422.934 3.337 0 40 HGAB O=C(CN1CCN(c2ccccc2)C1=O)N1CC[C@@H](Oc2ccc3ccccc3n2)C1 252482622 DLHJJFQYTMFTET-HXUWFJFHSA-N 416.481 3.157 0 40 HGAB CCC[C@@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2OC)C1 408562215 OEAGJIOGEYHWFM-KGLIPLIRSA-N 402.944 3.054 0 40 HGAB CS(=O)(=O)N(CC(=O)NC1CCCCCC1)c1cccc(Br)c1 409025649 VUIAOFKGRRLNNP-UHFFFAOYSA-N 403.342 3.054 0 40 HGAB CC(C)c1nc(C(=O)NC2(C(N)=O)CCC(C)(C)CC2)nn1-c1cccc(F)c1 534765297 ZIPQUUGIGYXEJY-UHFFFAOYSA-N 401.486 3.084 0 40 HGAB COc1cc2ncnc(N3CCC(C(=O)N4CCC(F)(F)CC4)CC3)c2cc1OC 1889149367 VFGQAYJEMGVRSF-UHFFFAOYSA-N 420.460 3.121 0 40 HGAB COC(=O)COc1ccc2c(c1)O[C@@]1(C[C@H]2c2ccccc2)CC(C)(C)NC(=O)N1 1441216 ZYXVYFSJLKFHCH-MBSDFSHPSA-N 410.470 3.331 0 40 HGAB CCOC(=O)c1ccc(/N=c2\sc(C(=O)OC)cc(=O)n2CCC(C)C)cc1 1443465 QGTHABNITXRZAT-MRCUWXFGSA-N 404.488 3.152 0 40 HGAB CCOC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H]2c3ccc(OC)c(OC)c3C(=O)N12 2092677 GCGONUUWQBSKDO-OXJNMPFZSA-N 406.438 3.218 0 40 HGAB biogenic Cc1ccc(NC(=O)CSc2nnc(-c3cnccn3)n2Cc2ccco2)cc1 2387708 SMHNPAKDOZIQEG-UHFFFAOYSA-N 406.471 3.416 0 40 HGAB CCCOc1ccc([C@H]2C(C(=O)OCCOC)=C(C)N=C3SCCC(=O)N32)cc1 2497852 VPDSQYXKYYYXNR-IBGZPJMESA-N 418.515 3.315 0 40 HGAB CCS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1nc2c(C)cccc2s1 2651592 JUAZEIBBWPALEA-INIZCTEOSA-N 415.540 3.320 0 40 HGAB COCCNC(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1Cl 3515923 NCABYRHMSSUJKS-UHFFFAOYSA-N 403.287 3.170 0 40 HGAB O=C1CN(C(=O)COC(=O)c2ccc(OCc3ccccc3)cc2)c2ccccc2N1 4512995 LRPWEJSJRBISLK-UHFFFAOYSA-N 416.433 3.408 0 40 HGAB CCOc1ccc(N2C[C@H](C(=O)Nc3cc(OC)c(OC)c(OC)c3)CC2=O)cc1 4732283 MIDLUDRZQNQVNU-CQSZACIVSA-N 414.458 3.103 0 40 HGAB COCCN(C(=O)c1csnn1)[C@H](C(=O)NC1CCCCC1)c1ccc(C)cc1 4890297 BTTQXPCQQRSIDG-IBGZPJMESA-N 416.547 3.125 0 40 HGAB O=C(Cn1c(=O)n(Cc2ccco2)c(=O)c2ccccc21)Nc1cccc(Cl)c1 4906607 UQXFDVVRRYFPGI-UHFFFAOYSA-N 409.829 3.097 0 40 HGAB aggregator CC(C)(C)N1C[C@@H](C(=O)Nc2nnc(CCCOc3ccccc3)s2)CC1=O 4975843 WAKCRUBDNNBQOB-AWEZNQCLSA-N 402.520 3.135 0 40 HGAB Cc1ccccc1C(=O)NC(=S)Nc1ncc(I)cc1C 6632570 KCIPCWHLHWZKEV-UHFFFAOYSA-N 411.268 3.430 0 40 HGAB CCN(C[C@H]1COc2ccccc2O1)C(=O)CSc1ncnc2sccc12 7329400 FPDLEYJGVZLOJO-ZDUSSCGKSA-N 401.513 3.472 0 40 HGAB CCc1nnc(S/C(=C\c2cc(Br)c(O)c(OC)c2)C(=O)O)[nH]1 7342461 HYZTWSRWSMQRDR-POHAHGRESA-N 400.254 3.062 0 40 HGAB C[C@H]1CCCCN1CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 7525200 JPPLKXBRABSHNU-HNNXBMFYSA-N 413.971 3.328 0 40 HGAB Cc1cc2oc(=O)cc(COC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)c2cc1C 8138597 JSOXQKSMSBMMMZ-UHFFFAOYSA-N 415.467 3.017 0 40 HGAB Cn1nnnc1SCC(=O)N1N=C(c2cc3ccccc3o2)C[C@H]1c1ccco1 8189881 YBTJXQNLYPEZNK-AWEZNQCLSA-N 408.443 3.019 0 40 HGAB CN(C)C1(CNC(=O)C[C@H](c2cnc3ccccc3n2)n2ccnc2)CCCCC1 8216659 UHENULNGIGUVNN-OAQYLSRUSA-N 406.534 3.187 0 40 HGAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2nnnn2-c2ccc(C)cc2)c1C 8282791 HVKGIGDRXGWYSR-AWEZNQCLSA-N 413.503 3.456 0 40 HGAB O=C(CN1C(=O)C(=O)N(CCC2=CCCCC2)C1=O)c1ccc(Br)cc1 8861730 LFNIAEBGIRHYGE-UHFFFAOYSA-N 419.275 3.313 0 40 HGAB C[C@@H]1C[C@H]1c1ccc(/C=C/C(=O)N2CCN(S(=O)(=O)c3cccs3)CC2)o1 8982438 KGKFFHNRLUAVSU-WQELODFKSA-N 406.529 3.011 0 40 HGAB O=C(C[C@@H]1C=CCC1)N1CCN(S(=O)(=O)c2cc(Cl)cnc2C2CCC2)CC1 12235691 USLFXRJGKSPODT-OAHLLOKOSA-N 423.966 3.192 0 40 HGAB O=C(CCN1CCN(c2ccccc2Cl)CC1)Nc1ccc2c(c1)OCCO2 12510243 ALZDELIKBIKAEW-UHFFFAOYSA-N 401.894 3.262 0 40 HGAB COC(=O)C1=C(C)N(c2ccccc2OC)C(=S)N[C@@H]1c1ccc(OC)c(O)c1 12515288 RMTDBYMBSFCIOH-LJQANCHMSA-N 414.483 3.292 0 40 HGAB O=C(NC[C@H]1CCCO1)c1ccccc1NS(=O)(=O)c1ccc(Cl)s1 12557276 ZWNNZRLQPXCUEV-LLVKDONJSA-N 400.909 3.111 0 40 HGAB Cc1ccc2c(c1)C(=O)N(CCCC(=O)N[C@H](c1ccccc1)c1nccn1C)C2=O 12627258 JPYJUERPHLMZGY-OAQYLSRUSA-N 416.481 3.011 0 40 HGAB CCOc1ccc(CN(C)C(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)cc1 12778137 QVTDLWWLDHQLRI-UHFFFAOYSA-N 402.516 3.070 0 40 HGAB C[C@@H](NC(=O)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1)c1ccc(Cl)cc1 12783986 LHYFDRGQCOXOGD-RDTXWAMCSA-N 422.934 3.288 0 40 HGAB Cc1nc(N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)c2c3c(sc2n1)CCCC3 12819110 PZSFOHOHWQBKQC-HXUWFJFHSA-N 421.570 3.227 0 40 HGAB CCSc1nnc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)c(C)s2)s1 13996463 LUSCVOMZIJOHIU-UHFFFAOYSA-N 418.591 3.057 0 40 HGAB C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)Nc3cccc(Cl)c3)c2)C[C@@H](C)O1 14071462 GDCGSSFGVFHRRM-OKILXGFUSA-N 408.907 3.390 0 40 HGAB CCOC(=O)c1c(C)[nH]c(C(=O)O[C@@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)c1C 14241397 ODZMAPPGBMVJHT-NSDYXAQKSA-N 416.518 3.439 0 40 HGAB COc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H](C)CCc2ccccc2)cc1Cl 16576304 QKCOGTJHYHDWJE-OAHLLOKOSA-N 424.950 3.107 0 40 HGAB Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc(I)cn2)c1 17088756 XSHRWIHFCLLLCT-UHFFFAOYSA-N 411.268 3.430 0 40 HGAB O=C(c1cncc(Br)c1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 18045551 QFFFHVAAOZSJBQ-UHFFFAOYSA-N 415.213 3.220 0 40 HGAB CCc1cc(C(F)(F)F)c2c([C@@H]3CCCN(C(=O)CCn4cncn4)C3)noc2n1 19521963 NEFHVADEDRWQET-GFCCVEGCSA-N 422.411 3.192 0 40 HGAB Cc1cc(C)nc(N2CCO[C@@H](c3nc(N(C)C)ncc3-c3cccc(F)c3)C2)n1 19692809 WNCYFIOGWCWVHK-LJQANCHMSA-N 408.481 3.333 0 40 HGAB CCc1cc(C(=O)NC[C@@H](c2ccc(C)cc2)N2CCOCC2)c2c(C)noc2n1 19714525 NDQSNSZEQMRFSZ-FQEVSTJZSA-N 408.502 3.205 0 40 HGAB CCOC(=O)[C@H]1C(=O)N(CCCOC)c2nc3ccccc3n2[C@@H]1c1ccc(C)cc1 19818316 GXIYVXYNSZYBGX-NHCUHLMSSA-N 421.497 3.497 0 40 HGAB CC[C@H](C)NS(=O)(=O)c1ccc(OCC(=O)N[C@@H](C)c2ccc(OC)cc2)cc1 20019538 NOPXBECEUFHIST-HOTGVXAUSA-N 420.531 3.028 0 40 HGAB C[C@H]1Cc2ccccc2N1C(=O)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1 20043964 HLEWXNUQCHNUES-INIZCTEOSA-N 416.518 3.345 0 40 HGAB Cc1ccc(-c2noc(CCC(=O)NCc3ccccc3CN3CCOCC3)n2)cc1 22056700 PUNTVDBZFOVBEB-UHFFFAOYSA-N 420.513 3.126 0 40 HGAB Cc1cc(CN2CCN([C@H](C)C(=O)NC(c3ccccc3)c3ccccc3)CC2)on1 22252641 LOVNMWQJIGJUMF-HXUWFJFHSA-N 418.541 3.395 0 40 HGAB O=c1c(Cl)c(NCCN2CCN(Cc3ccccc3)CC2)cnn1-c1ccccc1 22935168 SNZGENNJCQZOAP-UHFFFAOYSA-N 423.948 3.116 0 40 HGAB O=C(c1cc(=O)c(OCc2ccc(F)cc2)co1)N1CCN(Cc2ccccc2)CC1 23135399 XJQUTRXUOUPZLN-UHFFFAOYSA-N 422.456 3.316 0 40 HGAB COC(=O)C1CCN([C@H](c2ccc(Cl)cc2)c2sc3nc(C)nn3c2O)CC1 23156936 NRWWOWYCRNUWHP-OAHLLOKOSA-N 420.922 3.433 0 40 HGAB Cc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)Nc1ccc(N2CCOCC2)nc1 24083358 AGNPFIAAFXTFKD-PKNBQFBNSA-N 403.486 3.373 0 40 HGAB COC(=O)c1c(C)[nH]c(C(=O)O[C@@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)c1C 24828542 JLDOOTFSWUFSDG-QRYOHXEKSA-N 402.491 3.048 0 40 HGAB COCCN(Cc1ccco1)C(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1 25097494 GRGICWVNYSLIEQ-CQSZACIVSA-N 421.291 3.070 0 40 HGAB COc1ccccc1CN(C)C(=O)[C@H](C)N(c1ccc(C)c(C)c1)S(C)(=O)=O 30855244 LZXUGPVNKUVFMJ-KRWDZBQOSA-N 404.532 3.125 0 40 HGAB COCCNC(=O)C[C@@H]1C[C@@H](C(C)C)[C@H](CNC(=O)c2ccccc2OC)C=C1C 30880557 NENIHLRILNZXOP-ZJOUEHCJSA-N 416.562 3.432 0 40 HGAB biogenic,in-vitro COC(=O)c1cc(NC(=O)c2ccc(Cn3ccnc3C)cc2)cc(C(=O)OC)c1 30942940 SLXWOUXZMMHRKX-UHFFFAOYSA-N 407.426 3.065 0 40 HGAB COc1ccc2c(C)c(CC(=O)Nc3nnc(C(C)C)s3)c(=O)oc2c1OC 31816246 MAFCEXMJKZYKAU-UHFFFAOYSA-N 403.460 3.275 0 40 HGAB O=C(Oc1ccccc1F)c1nc(S(=O)(=O)Cc2ccccc2)ncc1Cl 32624391 UKGLDNJCVVRXHD-UHFFFAOYSA-N 406.822 3.462 0 40 HGAB Cn1ccnc1[C@@H](NC(=O)CN1C(=O)CCOc2ccccc21)c1ccc(Cl)cc1 32772765 FNCSFVKWMYZGIQ-NRFANRHFSA-N 424.888 3.095 0 40 HGAB CCOc1ccc([C@H]2CCCN2c2ccc(S(C)(=O)=O)cc2S(C)(=O)=O)cc1 32856021 NQMRXZWQVXLEGJ-GOSISDBHSA-N 423.556 3.234 0 40 HGAB COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)C[C@@H]1OC(=O)c2ccccc21 32966584 XEUUABQOCGFZKR-KRWDZBQOSA-N 402.834 3.047 0 40 HGAB CC(=O)Nc1ccc(NC(=O)CSc2nnc3c(n2)[nH]c2ccc(F)cc23)cc1 35290098 AKIFVDXIONLZTB-UHFFFAOYSA-N 410.434 3.334 0 40 HGAB CCOc1c(C(N)=O)cn(C)c1-c1nc2cc(NC(=O)C3CCCC3)ccc2n1C 36369873 QNSJQRMOJBAPLB-UHFFFAOYSA-N 409.490 3.205 0 40 HGAB biogenic COc1ccc([C@@H](CN(C)C(=O)C2(c3ccccc3F)CC2)N2CCOCC2)cc1 36741373 WUNPQLHFBCSTIL-JOCHJYFZSA-N 412.505 3.398 0 40 HGAB Cc1ccc(N2C(=O)/C(=C/c3cn(CC(N)=O)c4ccccc34)NC2=S)cc1C 39556459 FFQFQZWCVGDLHT-ZDLGFXPLSA-N 404.495 3.006 0 40 HGAB COc1cccc(-c2c3c(=O)n(Cc4cccc(F)c4)ccc3nc3ncnn23)c1 40398273 HKWYLFXKIDKGRY-UHFFFAOYSA-N 401.401 3.302 0 40 HGAB COCCNC(=O)c1ccccc1NC(=O)[C@H](C)Sc1ccc(OC)c(OC)c1 44900583 CRFUJHAKEFXBFD-AWEZNQCLSA-N 418.515 3.199 0 40 HGAB O=C([C@H]1CCCO1)N1CCN(Cc2csc(Cc3ccc(Cl)cc3)n2)CC1 48061212 NTFCSLPPBVLMPQ-GOSISDBHSA-N 405.951 3.211 0 40 HGAB Cc1ccc(Oc2nccn3c(=O)n(CC(=O)Nc4ccc(Cl)cc4)nc23)cc1 49008324 FUKXQEYFJJWQBZ-UHFFFAOYSA-N 409.833 3.284 0 40 HGAB O=C(Cn1nc(C(F)F)c2c1CCC2)Nc1ccc(N2CCN3CCC[C@@H]3C2)cc1 54992642 LGZYSMIYCRLFCD-QGZVFWFLSA-N 415.488 3.233 0 40 HGAB O=C(Nc1cccc(Cl)c1)N1CCCN(S(=O)(=O)c2ccccc2F)CC1 58153275 DAPOKLDXVOIPPQ-UHFFFAOYSA-N 411.886 3.408 0 40 HGAB CCCS(=O)(=O)Nc1ccccc1C(=O)N1CCC[C@@H](CN2CCC(C)CC2)C1 60275689 PHSHQYQZEDXECA-IBGZPJMESA-N 421.607 3.422 0 40 HGAB O=c1c(Cl)c(N[C@@H]2c3ccccc3C[C@@H]2O)cnn1-c1ccc(C(F)(F)F)cn1 64931328 HRVHIQBBONNHGG-WMLDXEAASA-N 422.794 3.370 0 40 HGAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c2c1[C@@H](c1cccc(Br)c1)CC(O)=N2 71283700 BZAPFJHCDJZBRB-ZIAGYGMSSA-N 424.320 3.437 0 40 HGAB Cc1ccc(C)c2c(C)c(C(=O)NCCS(=O)(=O)N3CCc4ccccc43)oc12 72024711 ORJYHRUCOBQZCA-UHFFFAOYSA-N 412.511 3.480 0 40 HGAB C[C@H]1C[C@H](NC(=O)c2cccc(C(=O)N3CCCC3)n2)CCN1Cc1ccccc1 79025238 NORMPTKZHRTKHA-AZUAARDMSA-N 406.530 3.101 0 40 HGAB C[C@H]1CCCC[C@H]1OCCNC(=O)CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O 95350863 MGXOEKKMSXHYIG-MEDUHNTESA-N 413.301 3.301 0 40 HGAB CC(C)OC(=O)c1c(NS(=O)(=O)c2ncn(C)c2Cl)sc2c1CCCC2 95466350 YJHANJJFDSEJEU-UHFFFAOYSA-N 417.940 3.380 0 40 HGAB CCCS(=O)(=O)N1CCC2(CC1)C[C@@H](CC(=O)N(CC)CC)c1ccccc1O2 96243286 OBFPHWQYOJIUCH-GOSISDBHSA-N 422.591 3.386 0 40 HGAB CCOC(=O)C1=C(C)N=C2SC=CN2[C@@H]1c1ccc(OCCOC)c(OC)c1 108039425 JILOUDVXZFIMAT-GOSISDBHSA-N 404.488 3.488 0 40 HGAB O=C(CCCN1C(=O)c2ccccc2C1=O)NCCSCc1ccccc1F 219136344 ATOXKDODUOKGHB-UHFFFAOYSA-N 400.475 3.252 0 40 HGAB CCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN1C(=O)c2cccc3cccc1c23 223526350 ULSOHBSCWHDXBU-QGZVFWFLSA-N 415.493 3.353 0 40 HGAB C[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCCc1ccccc1Cl 223555540 WBKVCGHMSYCAJK-HNNXBMFYSA-N 424.950 3.252 0 40 HGAB COc1ccc(S(=O)(=O)N(C)c2cc(C(=O)N3CCCCC3)ccc2C)cc1 224321406 MFKWICBDVAUOIU-UHFFFAOYSA-N 402.516 3.455 0 40 HGAB O=C(NCCSC1CCCCC1)C1CCN(S(=O)(=O)c2ccccc2)CC1 225468161 HDTBVZBTZXNINA-UHFFFAOYSA-N 410.605 3.269 0 40 HGAB Cc1ccc(CCCNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)cc1 225506713 OLHJQVDHZVFRNP-HXUWFJFHSA-N 400.544 3.145 0 40 HGAB COC(=O)c1cc(S(=O)(=O)NCCOc2ccccc2Cl)ccc1Cl 225566660 XPRBKYYEEJANDT-UHFFFAOYSA-N 404.271 3.137 0 40 HGAB CCCCc1ccc(NS(=O)(=O)c2ccc(OC)c(N3C(=O)CCC3=O)c2)cc1 225624319 KEQGDZJNCQMIKJ-UHFFFAOYSA-N 416.499 3.492 0 40 HGAB COc1cccc(-c2cnc3n2C[C@]2(CCN(Cc4ccc5c(c4)OCO5)C2)OC3)c1 306144165 YXXOJMQINNXWBE-XMMPIXPASA-N 419.481 3.462 0 40 HGAB O=C(NC1CCCCCC1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1 408598227 YFCBRPCONNIAMU-NRFANRHFSA-N 400.544 3.415 0 40 HGAB COc1ccccc1[C@H]1CCCN1S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2 524336944 PZRYDQXDGYOBSU-QGZVFWFLSA-N 404.463 3.245 0 40 HGAB CN1C(=O)C2(CCNCC2)C[C@H]1Cc1cccc(-c2cnc3ccc(Cl)cn23)n1 585263419 YTFQWJLNJAETKF-QGZVFWFLSA-N 409.921 3.193 0 40 HGAB O=C(Cc1ccc(Br)cc1)N1CCC(n2nc(C3CC3)ccc2=O)CC1 1775995385 RXFOVQYGXUMIEO-UHFFFAOYSA-N 416.319 3.289 0 40 HGAB CCN(CC)S(=O)(=O)N1CCC[C@@H](c2cccc(Nc3ncc(C)s3)n2)C1 2037834809 RSBDYMOHUUBTQN-OAHLLOKOSA-N 409.581 3.356 0 40 HGAB O=C(CCc1ccc[nH]1)N1CC[C@]2(CCc3nc(-c4ccccc4)cc(=O)n3CC2)C1 2055771496 CMUGQKMJGCLGNN-VWLOTQADSA-N 416.525 3.426 0 40 HGAB O=S(=O)(c1ccc(I)cc1)N1CCS[C@H]1c1ccco1 629218 PACKNIZYGMLQMA-ZDUSSCGKSA-N 421.281 3.321 0 40 HGAB COc1ccc(OC)c(NS(=O)(=O)c2ccc(I)cc2)c1 644820 NWODJUKJHSULQK-UHFFFAOYSA-N 419.240 3.109 0 40 HGAB COC(=O)c1c(NC(=O)COc2ccc3c(C)cc(=O)oc3c2)sc2c1CCC2 943866 HRHMKWVTNLGZLU-UHFFFAOYSA-N 413.451 3.456 0 40 HGAB C[C@H](NCCCCN[C@H](C)[C@@H]1COc2ccccc2O1)[C@H]1COc2ccccc2O1 3067708 OXRDDUYRLVIHPO-ZJYDQZTPSA-N 412.530 3.403 0 40 HGAB C[C@H](C(=O)N1CCCc2ccccc21)N1C(=O)N[C@@]2(CCCc3ccccc32)C1=O 3359313 DENLJLYFLGRLJI-VOIUYBSRSA-N 403.482 3.138 0 40 HGAB O=C(COC(=O)c1ccc(N2C(=O)c3cccc4cccc(c34)C2=O)cc1)NC1CC1 3475752 PNGJUDYFBVMEDG-UHFFFAOYSA-N 414.417 3.076 0 40 HGAB CCC(CC)NC(=O)c1cc(S(=O)(=O)N2CCc3ccccc32)ccc1OC 3549903 BHZSAHOZEHGJTR-UHFFFAOYSA-N 402.516 3.365 0 40 HGAB COc1ccc(CCNC(=O)[C@@]2(C)CC2(Br)Br)cc1OC 3668491 RLHHVFCXXRBRSI-CQSZACIVSA-N 421.129 3.259 0 40 HGAB CCOc1ccc(C(=O)N(c2ccccc2)[C@H]2C=CS(=O)(=O)C2)cc1OCC 4165386 GBFPXWLCGOKKCA-SFHVURJKSA-N 401.484 3.442 0 40 HGAB Cc1cc(NC(=O)CSc2ncnc3c2cnn3-c2cccc(Cl)c2)no1 4341707 JKJULAMRVZMLOW-UHFFFAOYSA-N 400.851 3.496 0 40 HGAB O=C(NCCOC12CC3CC(CC(C3)C1)C2)c1nc(-c2ccc3c(c2)OCO3)no1 4745665 DVGGFCPCTZIZCL-UHFFFAOYSA-N 411.458 3.181 0 40 HGAB CCOC(=O)C1CCN(C(=O)COC(=O)C2(c3ccc(Cl)cc3)CCCC2)CC1 4863559 PQWFIXOGSLWSTR-UHFFFAOYSA-N 421.921 3.497 0 40 HGAB CCCn1c(SCC(=O)NC(=O)NC2CCCCC2)nnc1-c1ccncc1 5430393 MWLUSDFYCIFBAR-UHFFFAOYSA-N 402.524 3.001 0 40 HGAB C[C@H]1CCCC[C@H]1NC(=O)CSc1ccc(S(=O)(=O)N2CCCCC2)cn1 5634792 ZSCJVJYEDSISEC-DOTOQJQBSA-N 411.593 3.043 0 40 HGAB O=S(=O)(NC1CCN(Cc2ccccc2)CC1)c1ccccc1Br 5773350 HBJSJSDSWMALQW-UHFFFAOYSA-N 409.349 3.392 0 40 HGAB C=C(C)C(=O)OCCOC(=O)C1=C(N)OC(C)=C(C#N)[C@H]1c1ccccc1Cl 5791548 COLVWJIQYJOWJE-MRXNPFEDSA-N 402.834 3.084 0 40 HGAB O=C(/C=C/c1ccc2c(c1)OCO2)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 5895389 UFPBYLYRYJJGJH-VZUCSPMQSA-N 414.483 3.242 0 40 HGAB CCc1cccc(CC)c1NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 6305686 IZDGAHRWOLKJSK-UHFFFAOYSA-N 402.516 3.085 0 40 HGAB O=C(Nc1ccc(N2CCOCC2)cc1N1CCOCC1)c1ccc2c(c1)CCC2 6605786 XUNASZPUQSVPCH-UHFFFAOYSA-N 407.514 3.101 0 40 HGAB COc1ccc(-c2cc3ccc(OCCN4CCC(C(N)=O)CC4)cc3oc2=O)cc1 6760798 KTSRYMKGWPUNPR-UHFFFAOYSA-N 422.481 3.045 0 40 HGAB biogenic Cc1ccc(-n2c(SCc3nc(N)nc(N)n3)nnc2-c2ccccc2)cc1C 6831686 ZBZVALSPWPGPSZ-UHFFFAOYSA-N 404.503 3.193 0 40 HGAB Cc1c(CC(=O)N2CCC[C@H]2C(=O)O)c(=O)oc2cc3oc4c(c3cc12)CCCC4 6921916 WRCINIAOTUHCRN-KRWDZBQOSA-N 409.438 3.345 0 40 HGAB Cc1ccc(SCCC(=O)OCCOc2ccc(S(N)(=O)=O)cc2)cc1C 7942958 VCWDDJQJZHENOB-UHFFFAOYSA-N 409.529 3.055 0 40 HGAB COc1cccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc4c(c3)OCO4)C2=O)c1 8166586 GRTKAHVVOZHUJK-CAOOACKPSA-N 412.423 3.099 0 40 HGAB O=C(COC(=O)c1cccc(N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@@H]3C2=O)c1)c1ccc(F)cc1 8722552 CRELWSXYFUAELB-YQMDMEMYSA-N 421.424 3.401 0 40 HGAB CN(CC(=O)Nc1ccccc1Cl)C(=O)COC(=O)c1ccc2ncsc2c1 8939450 DTQOKFDKOWUJSB-UHFFFAOYSA-N 417.874 3.204 0 40 HGAB COc1ccc(CCSC2=N[C@H]3CS(=O)(=O)C[C@@H]3N2c2ccccc2)cc1 8993328 UENKWNXPZXIUGT-OALUTQOASA-N 402.541 3.013 0 40 HGAB Cc1nn(C)c(C)c1CNC(=O)C(=O)Nc1c(-c2ccccc2)[nH]c2ccccc12 9047699 TUGDBFXHIJWLEZ-UHFFFAOYSA-N 401.470 3.440 0 40 HGAB CCCCOc1ccc(C(=O)NCC(=O)Nc2ccc(N3CCOCC3)cc2)cc1 9338528 HCEVCUZXHZSPJO-UHFFFAOYSA-N 411.502 3.071 0 40 HGAB COc1ccc(CNC(=O)[C@@H](NC(=O)c2ccc(Cl)cc2Cl)C(C)C)cn1 9376586 DCOWDMDWZHDHLU-KRWDZBQOSA-N 410.301 3.468 0 40 HGAB O=C(Cc1ccc(F)cc1)N(c1ccc(Br)cc1)[C@H]1C=CS(=O)(=O)C1 9416213 XFCINWZBUBBXLX-KRWDZBQOSA-N 424.291 3.475 0 40 HGAB CS(=O)(=O)c1ccc(-c2cccc(NS(=O)(=O)c3ccc(Cl)cc3)c2)nn1 9572666 GFGIOXSKMBGKMV-UHFFFAOYSA-N 423.903 3.001 0 40 HGAB C[C@@]1(c2cc(F)ccc2F)NC(=O)N(CC(=O)c2ccc(Br)cc2)C1=O 9606085 WLSWEKLNVZKICP-SFHVURJKSA-N 423.213 3.377 0 40 HGAB CCOc1ccc(N2CCn3c(SCC(=O)Nc4nc(C)cs4)nnc32)cc1 9651538 PGXGXIGBDNGIDM-UHFFFAOYSA-N 416.532 3.324 0 40 HGAB CCOC(=O)c1ccc(NC(=O)[C@@H](C)N(c2cc(C)ccc2C)S(C)(=O)=O)cc1 10434454 IJCRKWWNTWVPLU-MRXNPFEDSA-N 418.515 3.273 0 40 HGAB O=C(C[C@@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1)NCCc1ccccc1 11612924 VWVVLGFHLCYTLH-IBGZPJMESA-N 404.507 3.118 0 40 HGAB COc1ccc(NC(=O)Cn2ccn3nc(-c4ccc(C)cc4)cc3c2=O)cc1OC 12414413 ZUTSLHLPCNMVMS-UHFFFAOYSA-N 418.453 3.127 0 40 HGAB Cc1ccc(NC(=O)CCNC(=O)Cc2ccccc2)cc1I 12770853 DSMBBNXLGAFETF-UHFFFAOYSA-N 422.266 3.287 0 40 HGAB C[C@H](OC(=O)[C@@]12CCC(=O)N1c1ccccc1S2)C(=O)Nc1ccccc1F 12917380 IXHICODXETYHDD-YUNKPMOVSA-N 400.431 3.325 0 40 HGAB COc1ccc([C@H](CNC(=O)c2cc3c(s2)CCCC3)N2CCOCC2)cc1 12977527 LUHJHEYBVZADCJ-IBGZPJMESA-N 400.544 3.439 0 40 HGAB O=C(COc1ccc(-n2cnnn2)cc1)Nc1ccc2c(c1)OC1(CCCCC1)O2 13004749 NVUTXALTFNYZID-UHFFFAOYSA-N 407.430 3.111 0 40 HGAB COC(=O)c1ccc(OC(=O)[C@H](C)N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc1 13137611 XXVJYKMAJPNOSL-VIFPVBQESA-N 422.220 3.370 0 40 HGAB O=C(Nc1ccc2c(c1)N(C(=O)[C@@H]1CCCO1)CC2)c1cc2ccccc2oc1=O 13695605 IXNWSYQTAXAPLO-FQEVSTJZSA-N 404.422 3.113 0 40 HGAB CC[C@@H](C(=O)Nc1ccc(OC)cc1OC)N(c1ccc(F)cc1)S(C)(=O)=O 13715257 RQVNEJHSHKJBTM-KRWDZBQOSA-N 410.467 3.026 0 40 HGAB O=C1CC[C@H](N2CCN(c3ccccc3F)CC2)CCN1CCOc1ccccc1 15008190 UHCZYFXLYJQYEK-FQEVSTJZSA-N 411.521 3.408 0 40 HGAB COc1ccc(C)cc1NC(=O)CNC(=O)CNc1ccccc1N1CCCCC1 15357098 BSRWHEZGSJNLKX-UHFFFAOYSA-N 410.518 3.161 0 40 HGAB CCc1ccc(NC(=O)COc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 16161768 BEYLRRUSOAHHEL-UHFFFAOYSA-N 402.516 3.441 0 40 HGAB Cc1cc(N2CCN(C)CC2)nc(SCC(=O)c2ccc(Br)cc2)n1 16283880 BNYXBPMYRNVXDX-UHFFFAOYSA-N 421.364 3.274 0 40 HGAB CCOc1ccc(C(=O)n2nc(C)c(S(=O)(=O)N3CCCCCC3)c2C)cc1 17307514 RRDKLPSEWIULPW-UHFFFAOYSA-N 405.520 3.152 0 40 HGAB COc1ccc([C@@H]2CN(C(=O)C3CCC3)[C@H]3CCN(C(=O)c4ccccn4)C[C@H]32)cc1 19557268 CUGNVOBJPOVHOJ-FUDKSRODSA-N 419.525 3.347 0 40 HGAB CN(C)C(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)CN(Cc2ccncc2)CCO1 19580925 KFNQXUXILIAROE-VWLOTQADSA-N 416.525 3.046 0 40 HGAB CC(C)C(NC(=O)[C@@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1)C(C)C 20494890 JENIQZGGLZPNGV-HXUWFJFHSA-N 408.608 3.458 0 40 HGAB O=C1CCc2ccc(OCc3noc(C(=O)NCc4ccc(Cl)cc4)n3)cc2N1 20715686 CIFKESDRFJGOHS-UHFFFAOYSA-N 412.833 3.117 0 40 HGAB Cc1cccc(C)c1NC(=O)CN1CCN([C@H](C)C(=O)N(C)C2CCCCC2)CC1 22784070 SPABTXVXMBLNDW-HXUWFJFHSA-N 414.594 3.039 0 40 HGAB Cc1oc(-c2cccs2)nc1CN1CCN(CC(=O)N2CCCCCC2)CC1 22912019 LFJGGIPSTJHLFP-UHFFFAOYSA-N 402.564 3.232 0 40 HGAB Cc1cccc2sc(N(CCN3CCOCC3)C(=O)COc3ccccc3)nc12 22998217 DZNQGEIUWPVQCW-UHFFFAOYSA-N 411.527 3.349 0 40 HGAB C[C@H](NC(=O)CN1CCN(C(=O)c2ccccc2F)CC1)c1ccc2c(c1)CCCC2 24838933 LKVTXPRUFIYEEV-SFHVURJKSA-N 423.532 3.340 0 40 HGAB O=C(Nc1ccc(I)cc1)[C@H]1CCCN1C(=O)c1ccco1 24987482 LXPUSEUWIZTSBE-CYBMUJFWSA-N 410.211 3.128 0 40 HGAB C[C@H](NC(=O)CCS(=O)(=O)c1ccc2c(c1)OCCO2)c1ccccc1Cl 26679026 ABGXDLSFHPNQFC-ZDUSSCGKSA-N 409.891 3.152 0 40 HGAB O=S(=O)(NC1CCN(c2nnc(-c3ccccc3)s2)CC1)c1cccs1 26704017 COERUFJILNHLHE-UHFFFAOYSA-N 406.558 3.214 0 40 HGAB CCOC(=O)C1=C(CSc2nccn2-c2ccccc2)NC(=O)N[C@@H]1c1ccco1 27488887 MGVHDKGCYGKKQQ-GOSISDBHSA-N 424.482 3.429 0 40 HGAB CCCN1CCN(C(=O)c2ccc(Cn3nc(C)c(Br)c3C)o2)CC1 28227003 ATIMINVRHZFPDD-UHFFFAOYSA-N 409.328 3.072 0 40 HGAB COc1cc(-c2cc(-c3ccncc3)nc(N3CCOCC3)n2)cc(OC)c1OC 28342279 RKVPZRHMYDDGTA-UHFFFAOYSA-N 408.458 3.068 0 40 HGAB CSCc1nc2ccccc2n1CC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 29483849 APIXGGCHMFNUFJ-UHFFFAOYSA-N 421.526 3.336 0 40 HGAB O=C(CN1C(=O)S/C(=C\c2ccc(C(=O)O)cc2)C1=O)Nc1ccc(F)cc1F 35403726 ASYIHTDJJGXLCU-CHHVJCJISA-N 418.377 3.338 0 40 HGAB CC[C@@H](C[C@@H]1CC[C@H]([C@@H](C)C(=O)O)O1)OC(=O)[C@H](C)[C@H]1CC[C@@H](C[C@H](O)CC)O1 35455951 WGVQPPKZKAJDGR-QXKDGONPSA-N 414.539 3.311 0 40 HGAB biogenic,in-vitro CCOC(=O)c1c(NC(=O)[C@@H](C)N2C[C@H](C)O[C@H](C)C2)sc2c1CC[C@@H](C)C2 36329920 CJWNNNIRFKIZOX-APIJFGDWSA-N 408.564 3.486 0 40 HGAB C[C@H]1CN(Cc2ccc(CNC(=O)c3cncc(Br)c3)cc2)C[C@H](C)O1 40087477 ICRUAOLBKNCHLM-GJZGRUSLSA-N 418.335 3.383 0 40 HGAB CC(C)c1c(C(=O)NC2CCN(C(=O)c3ccoc3)CC2)cnn1-c1ccccn1 40088308 FBULYMDMPVTSCC-UHFFFAOYSA-N 407.474 3.018 0 40 HGAB C[C@@H](Oc1ccc(C(=O)NCc2ccnc(N3CCOCC3)c2)cn1)c1ccccc1 40133031 SOOMPCLPLBPLDL-GOSISDBHSA-N 418.497 3.383 0 40 HGAB Cc1nc(-c2cccc(NC(=O)c3cn(-c4cccc(Br)c4)nn3)c2)n[nH]1 40152540 MKVCXTZPWNOFJK-UHFFFAOYSA-N 424.262 3.376 0 40 HGAB CC[C@H](C)[C@H](NC(=O)N1CCc2[nH]cnc2[C@H]1c1cccc(Cl)c1)C(=O)OC 42731506 PJKHFXQCEFVQRK-ULFGMLNVSA-N 404.898 3.308 0 40 HGAB Cc1cc(C)nc(SCC(=O)N2CCN(Cc3c(F)cccc3Cl)CC2)n1 45600021 NOKIWQHWOWOHCP-UHFFFAOYSA-N 408.930 3.322 0 40 HGAB COc1ccc(NC(=O)[C@H]2CCCN2C(=O)Nc2cccc(-c3nnco3)c2)cc1 47487323 UZJIOPKAOJDJDG-GOSISDBHSA-N 407.430 3.380 0 40 HGAB C[C@H](CNC(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1)Cn1cccn1 48301210 IZAFKCHUNFJLJF-OAHLLOKOSA-N 422.451 3.207 0 40 HGAB O=C1CCc2cc(S(=O)(=O)/N=C(\O)Cc3ccc(-n4cccc4)cc3)ccc2N1 48644263 PDCZIPZYCJGOTH-UHFFFAOYSA-N 409.467 3.250 0 40 HGAB O=C(Cc1sc(-c2ccccc2)nc1-c1cccs1)N[C@H]1CCS(=O)(=O)C1 52602440 NPFCSLCLPSSAHX-AWEZNQCLSA-N 418.565 3.384 0 40 HGAB O=C1N[C@H](CCc2ccccc2)C(=O)N1C[C@H](O)COc1cccc2ccccc12 58007646 NSRVXZHCCWQKOX-PZJWPPBQSA-N 404.466 3.133 0 40 HGAB COc1ccc([C@H]2Nc3ccccc3C(=O)N2CC(=O)Nc2ccc(OC)nc2)cc1 61718197 BDKMMZPFOAQFEL-QFIPXVFZSA-N 418.453 3.304 0 40 HGAB COc1ccccc1CNC(=O)Nc1c(C(=O)N2CCOCC2)oc2ccccc12 65514971 SWUOUNZYJJTZDG-UHFFFAOYSA-N 409.442 3.236 0 40 HGAB CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCCN1CCCCC1 68605696 VYUQFFMPUHWSKT-HXUWFJFHSA-N 414.550 3.206 0 40 HGAB Cc1ccccc1OC[C@@H](O)CNc1c(C)c(C)nc2cc(C3CCOCC3)nn12 72337421 JGLRQOPQYJDOAJ-IBGZPJMESA-N 410.518 3.400 0 40 HGAB C[C@@H](C(=O)NC1CCN(CC2(c3cccc(F)c3)CCCC2)CC1)N1CCCC1=O 72393445 BKBXFFHRWDGOJJ-SFHVURJKSA-N 415.553 3.229 0 40 HGAB C[C@H]1[C@@H](c2ccc(Br)cc2)OCCN1C(=O)CNC(=O)C1CCCC1 95441530 IEKVMEXETGENCM-UGSOOPFHSA-N 409.324 3.044 0 40 HGAB CCN(CC)c1ccc([C@@H]2c3sc(=O)[nH]c3SC[C@@]2(CC(=O)O)C(=O)O)cc1 96318870 HHXVEHSGEPQFRP-AUUYWEPGSA-N 422.528 3.066 0 40 HGAB COc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccncc4)[C@@H]3C2=O)cc1 100558868 ZWEYECKGSIUVIR-HBMCJLEFSA-N 401.422 3.141 0 40 HGAB C[C@H](C(=O)Nc1cccc(CN2CCCCCC2)c1)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 100774053 RXUXNJCGZSDXMR-YWMIEGDOSA-N 421.541 3.197 0 40 HGAB CCOc1cccc(CNC(=O)c2cccc(S(=O)(=O)N3CCC(C)CC3)c2)c1 113956942 UEWQEAPKEMQBKQ-UHFFFAOYSA-N 416.543 3.436 0 40 HGAB CC(C)OCCCNc1ccc(S(=O)(=O)NCCc2ccccc2)cc1C(=O)O 217616978 XPMKGVGBXOSDSB-UHFFFAOYSA-N 420.531 3.133 0 40 HGAB Cc1ccc(OC[C@@H](C)NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)cc1 219986044 RZUPBLUYXIPWHW-GOSISDBHSA-N 416.543 3.367 0 40 HGAB CCN(c1ccc(C(=O)N[C@@H](C)COc2ccc(OC)cc2)cc1)S(=O)(=O)CC 222400186 SZGFWAMKWOOENT-INIZCTEOSA-N 420.531 3.069 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)NC(C)(C)Cc1ccccc1 223447720 MHRCTMUAXCRWPF-UHFFFAOYSA-N 416.543 3.231 0 40 HGAB CN(c1cccc(C(=O)N2CC(=O)Nc3ccccc32)c1)S(=O)(=O)c1ccccc1 224255547 WNVCDELLWWWBBU-UHFFFAOYSA-N 421.478 3.111 0 40 HGAB O=C(NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cccc(Cl)c1 224352734 DWTYIEQVXDPQPE-UHFFFAOYSA-N 422.934 3.323 0 40 HGAB CN(C)S(=O)(=O)c1cccc(C(=O)NCCSCc2cccc(Cl)c2)c1 225418599 IVKDSWMKIGTRQF-UHFFFAOYSA-N 412.964 3.254 0 40 HGAB CO[C@@H]1CCN(CC(=O)Nc2ncc(Cc3ccccc3F)s2)C[C@@]12CCCO2 257329625 XKTLYFYXNQXFBZ-NQIIRXRSSA-N 419.522 3.081 0 40 HGAB COCCN1CC[C@]2(CN(Cc3ccc(C)s3)C[C@@H]2c2cn(C(C)C)cn2)C1=O 306128038 GOMYVPNLMNMZHY-DENIHFKCSA-N 416.591 3.298 0 40 HGAB COc1ccc(CSCC(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)cc1 408577251 XQMMCFWTCMWJLU-SFHVURJKSA-N 414.527 3.476 0 40 HGAB CCOc1ccccc1N1C[C@H](C(=O)O[C@@H](C)C(=O)c2ccc(OC)cc2)CC1=O 408656453 SKROXGRWQFKSKZ-DOTOQJQBSA-N 411.454 3.261 0 40 HGAB Cc1ccc(SCCNC(=O)CCCN(c2ccccc2)S(C)(=O)=O)cc1 408679529 NJYXKDDXHQMNFW-UHFFFAOYSA-N 406.573 3.450 0 40 HGAB COc1nc(C)c(Br)cc1-c1noc([C@@H]2CC(=O)N(CC(C)C)C2)n1 581468023 UQLOIMAXAOXQQK-LLVKDONJSA-N 409.284 3.183 0 40 HGAB CC(C)N1CCC2(CCCCCNC(=O)c3ccccc3OC[C@H](C)NC2=O)CC1 643581150 AKWVSJAUUOCCEX-IBGZPJMESA-N 415.578 3.365 0 40 HGAB COCCN1C(=O)CC2(CCN(Cc3ccc(C(F)(F)F)cc3)CC2)n2nccc21 1772596601 XXXVDQQJULOUGA-UHFFFAOYSA-N 422.451 3.276 0 40 HGAB COc1ccccc1OCC(=O)N1CC[C@@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@@H]21 1889186354 FKQDCCAFTOUMAS-ZBFHGGJFSA-N 421.419 3.225 0 40 HGAB COc1ccccc1N1CCN(c2nc3c(S(C)(=O)=O)cccc3s2)CC1 1889253728 OVXQIZQSXOIMAA-UHFFFAOYSA-N 403.529 3.035 0 40 HGAB COc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)cc1 671470 JYWNRLGPTNQBDO-UHFFFAOYSA-N 412.471 3.155 0 40 HGAB CC[C@H](C(=O)Nc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1)c1ccccc1 691917 CVBPOAVYXGFBTK-QUCCMNQESA-N 402.516 3.276 0 40 HGAB Cc1ccc(S(=O)(=O)N(CC(=O)N2CCCCC2)Cc2ccc(F)cc2)cc1 780813 SNUNALWOMZDAEY-UHFFFAOYSA-N 404.507 3.338 0 40 HGAB CCN(CC)c1ccc(NC(=O)Cn2nnc(-c3cccc(OC)c3OC)n2)c(C)c1 1330303 SQEZCIORPPTUKC-UHFFFAOYSA-N 424.505 3.151 0 40 HGAB CCN(CC)C(=O)Cn1cc(C(=O)C(=O)NCc2ccccc2OC)c2ccccc21 3007593 HJPNYDGXWDRMIX-UHFFFAOYSA-N 421.497 3.017 0 40 HGAB O=C(CN(Cc1ccco1)S(=O)(=O)c1ccccc1F)NCc1ccc(F)cc1 3350941 OLJZVJUKKZGPEY-UHFFFAOYSA-N 420.437 3.065 0 40 HGAB COc1ccc(-n2ccnc(SCC(=O)NCc3ccccc3Cl)c2=O)cc1 4484295 CNMNPOZLLWMCJF-UHFFFAOYSA-N 415.902 3.303 0 40 HGAB COc1cc(OC)c(C(=O)NCc2nc(-c3ccc(Cl)cc3)no2)cc1OC 4512705 DNJLLFUNRRKPGG-UHFFFAOYSA-N 403.822 3.346 0 40 HGAB O=C(COc1ccc(F)cc1)N(Cc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 5119056 PRVGXOXHLGLNLH-QGZVFWFLSA-N 411.882 3.074 0 40 HGAB CCOc1cc(N2CCOCC2)c(OCC)cc1NS(=O)(=O)c1ccc(C)cc1 5126855 HVATYMAGSDFKRI-UHFFFAOYSA-N 420.531 3.430 0 40 HGAB CCOc1ccccc1C(=O)N(Cc1ccc(CC)cc1)[C@H]1CCS(=O)(=O)C1 5562831 NXCDGCQBTIWPIF-IBGZPJMESA-N 401.528 3.477 0 40 HGAB CCCOc1ccc(C(F)(F)F)cc1NC(=O)Cn1nnc2ccccc2c1=O 6580156 SAFNQWYMKBKWMP-UHFFFAOYSA-N 406.364 3.238 0 40 HGAB CSCC[C@H](NC(=O)N1CCn2c1nc1ccccc12)C(=O)NCc1ccccc1 6672416 ULJWVPPKIVDAOU-SFHVURJKSA-N 423.542 3.004 0 40 HGAB CCN(c1ccccc1)S(=O)(=O)c1nnc(NC(=O)c2ccccc2C)s1 6818269 MTJDTXIBDAUNJR-UHFFFAOYSA-N 402.501 3.314 0 40 HGAB Cc1nc2ccc(NC(=O)[C@@H]3CC(=O)N(c4ccc5c(c4)OCCO5)C3)cc2s1 6839704 IQGZJZSMCOSHOZ-CYBMUJFWSA-N 409.467 3.368 0 40 HGAB C[C@@H]1CCc2ccccc2N1S(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 7404608 KADLOXMRYXYQGK-MRXNPFEDSA-N 420.556 3.001 0 40 HGAB Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NC3CCCCC3)Oc3ccccc32)cc1 7871965 TXUGLOZRRMKWSR-NRFANRHFSA-N 414.527 3.400 0 40 HGAB COc1cc(NCC(=O)Nc2ccc(N3CCOCC3)cc2)c(OC)cc1Cl 7978810 QWDDARCMGDZSKQ-UHFFFAOYSA-N 405.882 3.244 0 40 HGAB O=C(CC[C@@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O)NC1CCCCCC1 8879166 HRPRZQZGZLSMTO-FQEVSTJZSA-N 410.518 3.250 0 40 HGAB biogenic O=C(Cc1c[nH]c2ccccc12)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 8938340 RWVMNOZPSBXDPD-UHFFFAOYSA-N 411.527 3.201 0 40 HGAB Cc1[nH]c2ccccc2c1[C@@H]1c2ccccc2C(=O)N1CCC(=O)N1CCOCC1 9095204 DXSOIFNUENYVSP-QHCPKHFHSA-N 403.482 3.270 0 40 HGAB COc1cc(C(=O)Nc2cc3c(cc2Br)OCCO3)cc(OC)c1OC 9349342 RAZSRHUMENJEJD-UHFFFAOYSA-N 424.247 3.498 0 40 HGAB CC[C@H](C)c1ccc(NC(=O)COC(=O)CCNS(=O)(=O)c2cccs2)cc1 9812423 NBEDSEDJXUXXHY-AWEZNQCLSA-N 424.544 3.112 0 40 HGAB COC(=O)[C@H](CC(C)C)NC(=O)CSc1nnc(Nc2ccc(OC)cc2)s1 10138251 FCCPJFHNUQODNH-AWEZNQCLSA-N 424.548 3.086 0 40 HGAB CC1=C(C(=O)Nc2cc(C)on2)[C@H](c2ccc(OC(F)F)cc2)NC(=S)N1C 11204551 XYLJIXDLMLSTHZ-HNNXBMFYSA-N 408.430 3.358 0 40 HGAB CCc1c(C)nc(-n2nc(-c3ccco3)cc2NC(=O)c2cc(C3CC3)on2)[nH]c1=O 12009001 HXSDBWRISMSIMH-UHFFFAOYSA-N 420.429 3.204 0 40 HGAB CCn1cc(CN2CCc3c(nc(-c4cccnc4)[nH]c3=O)C2)c2cc(OC)ccc21 12222310 PYBXZCXAIYKDQZ-UHFFFAOYSA-N 415.497 3.373 0 40 HGAB CC[C@H]1Oc2ccc(C(=O)c3ccco3)cc2N(CC(=O)N2CCC(C)CC2)C1=O 12241936 BLCJSXQOEGOWMA-GOSISDBHSA-N 410.470 3.273 0 40 HGAB O=c1[nH]c2ccc(Nc3cnn(-c4ccc(C(F)(F)F)cn4)c(=O)c3Cl)cc2[nH]1 12522075 AQBFBBVEEYGUAH-UHFFFAOYSA-N 422.754 3.213 0 40 HGAB Cc1cccc(-n2c(SCc3nc(C(C)(C)C)no3)nnc2N2CCOCC2)c1 12537806 WLMJCNLCKGEWCT-UHFFFAOYSA-N 414.535 3.385 0 40 HGAB Cc1cc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)c(C)n1C1CCCCC1 12607227 PAGNVKACWVCJQN-UHFFFAOYSA-N 403.548 3.230 0 40 HGAB CN1CCN(c2ccccc2NC(=O)Cc2cc(Cl)c3c(c2)OCCO3)CC1 12634552 HREDJMFKSPNDNP-UHFFFAOYSA-N 401.894 3.044 0 40 HGAB COc1cc(Cl)c(C)cc1NC(=O)CCNS(=O)(=O)c1ccccc1F 12800702 POSZNAWKRVGMLN-UHFFFAOYSA-N 400.859 3.103 0 40 HGAB O=C(NCc1ccccc1)C1CCN(C(=O)c2cccc(OC[C@@H]3CCCO3)c2)CC1 12983200 SZBXHIQWAWOZCP-QHCPKHFHSA-N 422.525 3.413 0 40 HGAB COc1ccc(-c2nc(CC(=O)N(C)Cc3nc4ccccc4c(=O)[nH]3)cs2)cc1 12986357 QBCCWJBMOFJXKG-UHFFFAOYSA-N 420.494 3.256 0 40 HGAB COC(=O)C1CCN(C(=O)COc2ccc3c(c2)OC2(CCCCC2)CC3=O)CC1 13719476 GZKMMOCQKVOQNH-UHFFFAOYSA-N 415.486 3.145 0 40 HGAB COc1ccc([C@H]2C(C)=Nc3ccccc3N=C2NC(=O)CN2CCOCC2)cc1 14608022 FTJQIIDCWDRAJI-JOCHJYFZSA-N 406.486 3.063 0 40 HGAB O=C(Cc1csc(-c2ccccn2)n1)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 15639224 KIRUMDLKVSUOTB-INIZCTEOSA-N 422.510 3.295 0 40 HGAB CCOC(=O)c1c(C)[nH]c(C(=O)O[C@H](C)C(=O)Nc2ccc(OC)c(OC)c2)c1C 16713906 GOMWXUSYNKGEPL-CYBMUJFWSA-N 418.446 3.009 0 40 HGAB Oc1nc(N2CCN(c3ccccn3)CC2)nnc1Cc1ccc(Cl)cc1Cl 17058840 GZRNVNFZQOIVPJ-UHFFFAOYSA-N 417.300 3.196 0 40 HGAB CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)OCC(=O)Nc1ccc(Cl)cn1 18243380 KPHGNKOSENICFF-KRWDZBQOSA-N 424.284 3.325 0 40 HGAB CCc1noc(C)c1C(=O)N1CCC[C@@H](c2cc(NC)nc(-c3cccnc3)n2)C1 19521204 ZJUZAXGSKMQXEL-MRXNPFEDSA-N 406.490 3.459 0 40 HGAB CCOc1ccccc1C(=O)N1C[C@H]2N(CC)C(=O)c3ccccc3C(=O)[C@@]2(C)C1 19528277 YWTGEMGZXIFHAC-YKSBVNFPSA-N 406.482 3.275 0 40 HGAB COc1ccc(-c2ccccc2C[C@H]2CN(C(=O)c3ccncc3)CCNC2=O)cc1 19558392 FCUXQFJKGUFUBP-NRFANRHFSA-N 415.493 3.188 0 40 HGAB CC(C)Oc1ccccc1CNc1cc(Cn2c(=O)n(C)c3ccccc32)nc(N)n1 19655693 RANSIFHUEBBPQK-UHFFFAOYSA-N 418.501 3.160 0 40 HGAB CN(C)c1ncc(-c2ccc(F)cc2)c([C@@H]2CCCN(C(=O)c3cnn(C)c3)C2)n1 19694191 DSNLUFBOOGFLDR-MRXNPFEDSA-N 408.481 3.102 0 40 HGAB COCC(=O)N1CCC[C@H](c2nc(C)c3c(n2)N(Cc2cccc(OC)c2)CCC3)C1 19706591 SHIFEOKJSXJPAY-IBGZPJMESA-N 424.545 3.099 0 40 HGAB C[C@H](NC(=O)c1ccc(C2CCN(C(=O)c3ccccn3)CC2)nc1)c1ccccn1 19708065 NBUDTUKTMNGJDJ-KRWDZBQOSA-N 415.497 3.382 0 40 HGAB CCn1nc([C@H](C)C(=O)Nc2nc(-c3cn(C)nc3C)cs2)c2ccccc2c1=O 19716953 YQCNRVLZWLEWFL-LBPRGKRZSA-N 422.514 3.324 0 40 HGAB O=C(Nc1cnn(Cc2ccccc2F)c1)[C@@H](c1ccc(F)cc1)N1CCOCC1 19717097 HOQLSNVNWQZIGG-OAQYLSRUSA-N 412.440 3.222 0 40 HGAB O=C(Cn1cc(C(=O)NC2CCCC2)ccc1=O)NC1(c2ccccc2)CCCC1 19746316 AUKHRXIAHHAXRG-UHFFFAOYSA-N 407.514 3.106 0 40 HGAB Cc1ccccc1CS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(F)c(F)c2)C1 19858213 XITURHDRBIPBRZ-HNNXBMFYSA-N 408.470 3.454 0 40 HGAB CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)CCN1CCN(C)CC1 19902717 PTCOTLJOYFZMTB-UHFFFAOYSA-N 401.532 3.168 0 40 HGAB Cc1nn(-c2ccccc2)c(C)c1CC(=O)NCC1(N2CCOCC2)CCCCC1 20937999 CHAGXNKSFFCIHV-UHFFFAOYSA-N 410.562 3.183 0 40 HGAB O=C(NCCc1ccc(S(=O)(=O)NC2CCCCC2)cc1)c1ccc(F)cc1 22227005 MQUAWZYFIHQYCR-UHFFFAOYSA-N 404.507 3.409 0 40 HGAB CC(C)[C@@H](CNC(=O)[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(C)C)N(C)C 22754483 VGXMPTSHGXICLL-IAGOWNOFSA-N 402.366 3.450 0 40 HGAB COc1ccc(O)c(C(=O)OCC(=O)Nc2ccc(OC(F)F)c(Cl)c2)c1 23597724 XDHUCJCDXIEQEO-UHFFFAOYSA-N 401.749 3.451 0 40 HGAB O=C(NCc1ccc(Cl)cc1)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1 24612661 HJNXMJLQESBOJX-UHFFFAOYSA-N 424.925 3.337 0 40 HGAB CN(CCN1C(=O)CNC1=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 24843652 QFDXTIFQUJCRPC-UHFFFAOYSA-N 423.904 3.176 0 40 HGAB Nc1nc(CN2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)nc2ccccc12 24970290 JVPSCXGSJLQUFJ-UHFFFAOYSA-N 416.312 3.477 0 40 HGAB COc1ccc2c(c1)CCCN2C(=O)CN1CCN(c2cc(C)nc(C(C)C)n2)CC1 29144195 JZLVZQUXNPXCBY-UHFFFAOYSA-N 423.561 3.018 0 40 HGAB Cc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3nnc4ccccn34)cc2)cc1 30692253 MLQCSGDAVSXUJB-UHFFFAOYSA-N 407.455 3.091 0 40 HGAB C[C@H](Sc1cc(C(F)(F)F)nc2ccccc12)C(=O)N[C@H]1CCS(=O)(=O)C1 31424224 IGEWCLFJFRBFKE-QWRGUYRKSA-N 418.462 3.038 0 40 HGAB CC(C)(C)c1cc(NC(=O)CN2C(=O)c3ccccc3C2=O)n(-c2ccccc2)n1 31677270 CLIOJLHUYQSGAF-UHFFFAOYSA-N 402.454 3.405 0 40 HGAB COC(=O)C[C@@H](NC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1)c1cccs1 32453822 LIABQPCUCDXXBV-IUODEOHRSA-N 406.891 3.175 0 40 HGAB Cc1ccc(-c2cc(C(=O)NCc3ccccc3)nn2[C@H]2CCS(=O)(=O)C2)cc1 33325522 VNPOTYQDRBGVMA-IBGZPJMESA-N 409.511 3.148 0 40 HGAB CCC(=O)Nc1nnc(SCC(=O)Nc2nnc(-c3ccccc3C)s2)s1 33747023 MJNLYOLOPMDWBU-UHFFFAOYSA-N 420.545 3.444 0 40 HGAB COc1ccccc1NC(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(C(C)(C)C)ccc2O1 38835104 ODURZGYXRASKOH-IBGZPJMESA-N 418.515 3.158 0 40 HGAB Cc1oc(C(=O)Nc2ccc(-c3cc[nH]n3)cc2)cc1S(=O)(=O)N1CCCC1 48303215 NJTIDPHTTWIZEM-UHFFFAOYSA-N 400.460 3.015 0 40 HGAB COc1ccc(S[C@@H](C)C(=O)N2CCN(C(=O)c3ccc(F)cc3)CC2)cc1 52362769 BVTRKUBBXGRMTC-HNNXBMFYSA-N 402.491 3.300 0 40 HGAB CCc1cc(=O)n(CC(=O)Nc2ccc(OC)c(OC)c2)c(-c2ccc(F)cc2)n1 57508718 KZJRBEFRKFGWFV-UHFFFAOYSA-N 411.433 3.268 0 40 HGAB Cc1cc(Br)ccc1NS(=O)(=O)c1ccc(OCC(=O)O)c(C)c1 58432506 QFXMMXHQFVNLFH-UHFFFAOYSA-N 414.277 3.330 0 40 HGAB CN(C)C(=O)N1CCC[C@H](C(=O)Nc2nnc(Cc3ccc(Cl)cc3)s2)C1 59745181 ZCPZMIRBUBAPKL-ZDUSSCGKSA-N 407.927 3.114 0 40 HGAB Cc1ccc(CNC(=O)CCc2nc(-c3cc4ccc(C)cc4[nH]c3=O)no2)cc1 64789908 RMJVEPCGYVJZGP-UHFFFAOYSA-N 402.454 3.444 0 40 HGAB Cc1ccc(CN2CCOC[C@H]2c2nc(-c3ccc(S(C)(=O)=O)cc3)c[nH]2)cc1 72322006 PTHJQMPLRZXFHI-NRFANRHFSA-N 411.527 3.362 0 40 HGAB biogenic,in-vitro C[C@@H]1C[C@@H](C(F)(F)F)n2nc(C(=O)OCC(=O)Nc3ccc(F)cc3)cc2N1 72333703 HMQWQVHAHLQJDP-RNCFNFMXSA-N 400.332 3.125 0 40 HGAB COc1ccc(NC(=O)c2nnn(-c3ccc(Br)cc3)n2)cc1Cl 77100503 AHHWFJAFQUGPHX-UHFFFAOYSA-N 408.643 3.339 0 40 HGAB COc1cc(NC2CCN(C(=O)CCc3c(C)nn(C)c3C)CC2)cc(OC)c1 79046401 FUYNMFWDNDOWGO-UHFFFAOYSA-N 400.523 3.090 0 40 HGAB Cc1cc(C)n(-c2nc(CCNS(=O)(=O)c3ccc(Cl)s3)cs2)n1 90609380 YVLXRRYJGURHMH-UHFFFAOYSA-N 402.954 3.182 0 40 HGAB COc1ccc(CNc2ccc(S(=O)(=O)NC(C)(C)C)cn2)c(OC(F)F)c1 95961996 CPOHXSLHLDCLJO-UHFFFAOYSA-N 415.462 3.381 0 40 HGAB COc1csc(C(=O)N2CCOC[C@H]2c2c(C)nn(CC(F)(F)F)c2C)c1 96002560 SZHKHTPXEQZUNZ-ZDUSSCGKSA-N 403.426 3.346 0 40 HGAB O=S(=O)(c1ccccc1)[C@H]1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)C1 96098141 XPXWNYJNHMHYKX-AWEZNQCLSA-N 420.339 3.230 0 40 HGAB O=C([C@@H]1COc2ccccc2O1)N1CCN(c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1 98211724 HKEVZTVTWPYDGW-FQEVSTJZSA-N 424.888 3.219 0 40 HGAB COc1cc(Cl)c(C)cc1N1C(=O)C[C@H](N2CCN(c3ccccc3)CC2)C1=O 102988263 LHOAEWBGXFRIQT-IBGZPJMESA-N 413.905 3.111 0 40 HGAB COc1ccc(C(=O)/C=c2/[nH]c(=O)/c(=C/c3cccc(Cl)c3Cl)s2)cc1 105630236 NXCZLBFXKPZESQ-CQRYCMKKSA-N 406.290 3.244 0 40 HGAB C[C@H](NC(=O)[C@H](C)N(c1ccc(F)c(F)c1)S(C)(=O)=O)c1ccc(F)cc1 113956785 PDPHAZUBVJTCLY-RYUDHWBXSA-N 400.422 3.136 0 40 HGAB COc1ccc([C@@H](C)NC(=O)c2ccc(CS(=O)(=O)N3CCCC3)cc2)cc1 113958358 OTMLUYHDGBGQQG-MRXNPFEDSA-N 402.516 3.112 0 40 HGAB O=C(NCc1ccc2c(c1)OCO2)[C@H]1Cc2ccccc2CN1Cc1ccc(O)cc1 199418812 OJPVUDUPYSFRIG-JOCHJYFZSA-N 416.477 3.364 0 40 HGAB Cc1csc(NS(=O)(=O)c2ccc(O[C@@H](C)C(=O)NC3CCCCC3)cc2)n1 223255604 BSSMQIOTEUKACK-AWEZNQCLSA-N 423.560 3.469 0 40 HGAB Cc1cc(C)c([C@@H](C)NC(=O)CCN2C(=O)c3ccccc3S2(=O)=O)cc1C 223474713 DFTWFCDQAJCTPE-MRXNPFEDSA-N 400.500 3.024 0 40 HGAB Cc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NCc2ccc3c(c2)OCO3)cc1 225621702 VDLYMOQCXAXWCS-UNOMPAQXSA-N 404.422 3.404 0 40 HGAB C[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1ccc(F)c(Cl)c1 225862029 NKAUQLBIKNQANI-NSHDSACASA-N 400.859 3.281 0 40 HGAB COc1cccc(CN2[C@H]3CC[C@H]2[C@]2(CC(=O)N(C4CCCCC4)C2=O)C(=O)C3)c1 247866276 AXCGONRKFKCMJZ-VAXXYWNWSA-N 410.514 3.079 0 40 HGAB Cc1ccc(CC(=O)N2CCC[C@@H]2CN2Cc3ccccc3OC[C@H]2CN(C)C)cc1 248111233 KENWIABETVAWCT-DNQXCXABSA-N 421.585 3.353 0 40 HGAB O=S(=O)(NC[C@H](c1ccco1)N1CCSCC1)c1ccc(F)c(Cl)c1 253399108 ILGZUBCJFNVRCR-OAHLLOKOSA-N 404.916 3.141 0 40 HGAB CO[C@H]1CC[C@H](C(=O)N2CCC(Cn3nc(-c4ccccc4)ccc3=O)CC2)CC1 257247182 IXVNRSRANVAZDI-MEMLXQNLSA-N 409.530 3.354 0 40 HGAB c1cnc(Oc2cccc(CN3CCOC[C@@H](Cc4ccc5nccn5n4)C3)c2)nc1 257306236 STJZQBFYBHBEMF-IBGZPJMESA-N 416.485 3.003 0 40 HGAB COc1ccccc1[C@H](C)NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 260767891 QGJTZTTVAYZLKV-KBXCAEBGSA-N 422.934 3.379 0 40 HGAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)cc1 408607100 QAMCKLHLWULCDS-LBPRGKRZSA-N 416.421 3.410 0 40 HGAB CCOC(=O)c1sc(NC(=O)c2cc(C)nnc2CC)c(C(=O)OCC)c1C 546045798 QPMXLSWBESBDBM-UHFFFAOYSA-N 405.476 3.323 0 40 HGAB Cc1cc(C)cc(S(=O)(=O)N2CC3(C[C@H](OCc4cccc(C)n4)CCO3)C2)c1 575406506 YBDBNNFDAKTKQG-HXUWFJFHSA-N 416.543 3.146 0 40 HGAB CSCC[C@@H](NC(=O)c1ccco1)C(=O)Nc1nc(-c2cccnc2)cs1 619744200 GNRAWSRMPVABNK-CYBMUJFWSA-N 402.501 3.288 0 40 HGAB O=S(=O)(c1ccccc1Br)N1CCC[C@@H](COc2ccncc2)C1 1775970297 AMYPYRQUMROBAN-CQSZACIVSA-N 411.321 3.324 0 40 HGAB CCc1nccn1-c1cncc(C2CCN(C(=O)[C@H](C)Oc3ccccc3)CC2)n1 2037838723 YEVIAOFGADWEGC-KRWDZBQOSA-N 405.502 3.398 0 40 HGAB COc1ccc(CN(CC(F)(F)F)C(=O)CCN2C(=O)c3ccccc3C2=O)cc1 10998332 XZRXKRPGCCOABY-UHFFFAOYSA-N 420.387 3.272 0 40 HGAB Cc1cc(S[C@H](C)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)nc(C(C)C)n1 16454363 WUQUXFDAILJLLM-CQSZACIVSA-N 422.576 3.278 0 40 HGAB COc1ccc(OC)c(C(=O)Cn2cnc3c(cnn3-c3ccc(C)c(C)c3)c2=O)c1 1330661 GHWIVHJUBCUGOF-UHFFFAOYSA-N 418.453 3.099 0 40 HGAB COC(=O)c1ccccc1NC(=O)CCc1ccc(S(=O)(=O)NC(C)(C)C)cc1 6322368 OYSLWJLNSBTEQT-UHFFFAOYSA-N 418.515 3.121 0 40 HGAB O=C(/C=C/c1ccc(OC(F)F)cc1)OCC(=O)N1CCC(c2ccccc2)=N1 6550802 JOICTEHTNIXHGX-DHZHZOJOSA-N 400.381 3.481 0 40 HGAB O=C(CCCNS(=O)(=O)c1ccc2ccccc2c1)NCCOc1ccccc1 6852379 BGHINFJLVUKJLM-UHFFFAOYSA-N 412.511 3.094 0 40 HGAB Cc1ccc(C)c(Oc2ccc(CNC(=O)CN3C(=O)[C@H]4CC=CC[C@H]4C3=O)cn2)c1 102792181 DBBZIHSUIUKREY-KDURUIRLSA-N 419.481 3.058 0 40 HGAB COc1ccc(OC)c(NC(=O)COC(=O)CCC(=O)Nc2c(C)cccc2C)c1 8433714 YKZJPTXJZPEIDQ-UHFFFAOYSA-N 414.458 3.221 0 40 HGAB CC(C)N(C(=O)CSc1nc(N)nc(N)n1)c1ccc(Nc2ccccc2)cc1 8710722 WQMVRJFFRAIYJT-UHFFFAOYSA-N 409.519 3.313 0 40 HGAB Cc1cccc(CNC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)c1 10447850 RDYOYSUEQZNUQY-UHFFFAOYSA-N 400.422 3.096 0 40 HGAB COc1cc(OC)c(C2=CCN(S(=O)(=O)c3cccc(F)c3)CC2)c(OC)c1 10672584 TVIYVBGMATXWNR-UHFFFAOYSA-N 407.463 3.330 0 40 HGAB CCOC(=O)N1CCN(c2cc(C)nc3nc(-c4ccc(Cl)cc4)nn23)CC1 9207090 KFWSZWLQTQAFDK-UHFFFAOYSA-N 400.870 3.032 0 40 HGAB CCCCn1c(COC(=O)c2ccc(F)cc2F)nc2cc(S(N)(=O)=O)ccc21 9724717 RKBLTJPYNZIMTB-UHFFFAOYSA-N 423.441 3.119 0 40 HGAB Cc1ccc(C(=O)N2CCC[C@@H]2c2cc3nc4c(c(O)n3n2)CCN(C(C)C)C4)cc1 100234243 HXJUBBNJTGNMBX-OAQYLSRUSA-N 419.529 3.487 0 40 HGAB CC[C@H](NC(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O)c1ccccc1 20494047 RXPRFVLZAYFXBN-SFHVURJKSA-N 418.515 3.229 0 40 HGAB O=S(=O)(Nc1ccc(S(=O)(=O)NC2CC2)cc1)c1cc(Cl)cc(Cl)c1 12561083 QYNDGIQZHWXGCL-UHFFFAOYSA-N 421.327 3.235 0 40 HGAB CCc1ccc(N2C(=O)C[C@H](c3c(C)nn(-c4nc5ccccc5[nH]4)c3O)C2=O)cc1 100069051 ZVJWIYHBBZUUQW-MRXNPFEDSA-N 415.453 3.372 0 40 HGAB CN(C[C@H]1COc2ccccc2O1)C(=O)Nc1cc(Cl)ccc1N1CCOCC1 43398241 XLFNZIUNDHSTQB-INIZCTEOSA-N 417.893 3.480 0 40 HGAB CCOc1ccc(N(CC(=O)N[C@H](C)c2cc(C)ccc2C)S(C)(=O)=O)cc1 22333161 NVEQAKAKMJNACE-QGZVFWFLSA-N 404.532 3.346 0 40 HGAB O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccs1)NCCN1CCOCC1 25336577 OOTNZPUTNMQMGW-CMDGGOBGSA-N 408.527 3.062 0 40 HGAB COC[C@H](C)NC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccccc1 27469893 NXSBODHCXSEPFJ-KRWDZBQOSA-N 404.532 3.156 0 40 HGAB C[C@H]1Cc2ccccc2N1C(=O)[C@@H](C)OC(=O)c1ccc(Cl)c(S(C)(=O)=O)c1 10241541 KGENJAKNQDHRCF-QWHCGFSZSA-N 421.902 3.267 0 40 HGAB Cc1cc(N2CCN(C(=O)Nc3ccc(N4CCCC4)nc3)CC2)nc(C(C)C)n1 48086997 CMWRYNSTYHBYEP-UHFFFAOYSA-N 409.538 3.258 0 40 HGAB COc1ccc(CN2CCCN(C(=O)c3ccc(NC(=O)C4CC4)cc3)CC2)cc1 27915118 DVBYMCDPCKIAFY-UHFFFAOYSA-N 407.514 3.392 0 40 HGAB C[C@H]1CN(C(=O)CN(C)Cc2ccc(-c3ccc(Br)cc3)o2)CCO1 10858466 QJHGNCPXDUYJGS-AWEZNQCLSA-N 407.308 3.388 0 40 HGAB CCN(Cc1ccc(Cl)s1)C(=O)CCc1c(C)nc2c(C(N)=O)ncn2c1C 12746175 BMYDWUHIQWIBIM-UHFFFAOYSA-N 419.938 3.141 0 40 HGAB C[C@H](Sc1nnc(CCC(N)=O)n1Cc1ccco1)C(=O)c1ccc2c(c1)CCC2 12794828 YSMOODQLOZSKPX-AWEZNQCLSA-N 424.526 3.190 0 40 HGAB CCCNC(=O)[C@H](C)NC(=O)c1cn(-c2ccccc2)nc1-c1ccc(OC)cc1 12918523 OBCUMGJQYNAVHK-INIZCTEOSA-N 406.486 3.192 0 40 HGAB COc1ccc(C(=O)Nc2ccccc2C(C)C)cc1S(=O)(=O)N1CCOCC1 3561270 ITFQKFYWXSXHID-UHFFFAOYSA-N 418.515 3.092 0 40 HGAB Cc1ccccc1C(=O)NCc1nnc(SCC(=O)Nc2c(C)cccc2C)n1C 409052058 GDJDMZXVAGWARI-UHFFFAOYSA-N 423.542 3.401 0 40 HGAB O=C(Nc1ccc(C(=O)N2CCN(C(=O)c3ccco3)CC2)cc1)c1cccs1 8324866 URZBSAOAQAABLH-UHFFFAOYSA-N 409.467 3.192 0 40 HGAB CS(=O)(=O)N1CCN(c2ccc(NC(=O)/C=C/c3ccc(Cl)cc3)cc2)CC1 13540702 YLZNBAQGRJVOFW-NYYWCZLTSA-N 419.934 3.074 0 40 HGAB Cc1nn(Cc2ccccc2)c(C)c1CN[C@@H](C)C(=O)N1CC(=O)Nc2ccccc21 14142377 DQZPAFRIRWFAND-KRWDZBQOSA-N 417.513 3.012 0 40 HGAB CC(=O)Nc1sc(C)c(C)c1C(=O)OCC(=O)Nc1ccc2c(c1)OCCCO2 4549923 WRGPJILXRXXKSO-UHFFFAOYSA-N 418.471 3.280 0 40 HGAB CCN1CCN(C(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2Cl)CC1 20454621 NJPJKIFPOSLREK-UHFFFAOYSA-N 421.950 3.227 0 40 HGAB Cc1cc(NC(=O)CN2C(=O)N[C@@]3(CCCC[C@@H]3C)C2=O)ccc1Br 4515431 CUXBEEBBNICWRL-KPZWWZAWSA-N 408.296 3.197 0 40 HGAB COc1ccc(CNC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)cc1 5681227 MCOXDNRNNVTKQI-UHFFFAOYSA-N 410.495 3.450 0 40 HGAB Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2 5689708 WZUYWTCRCZFXRN-OAHLLOKOSA-N 410.543 3.432 0 40 HGAB CC(C)[C@@H](NC(=O)c1ccc(CN2C(=O)CCC2=O)cc1)c1ccc2c(c1)OCCO2 15027517 BMQSQWMRPMYEQW-HSZRJFAPSA-N 422.481 3.234 0 40 HGAB O=C(Cn1cnc2c(Cl)cc(Cl)cc2c1=O)N1CCN(c2ccccc2)CC1 6923334 UURVEVHHWKGTAN-UHFFFAOYSA-N 417.296 3.052 0 40 HGAB Cc1c(C(=O)Nc2ccc(F)cc2F)nnn1CC(=O)Nc1ccc(Cl)cc1 67322470 ICFCWYLPZUEURH-UHFFFAOYSA-N 405.792 3.409 0 40 HGAB Cc1nc(-c2cccc(Cl)c2)n(CC(=O)NC2CCC(C)CC2)c(=O)c1CCO 67316581 HPZILJYIROVJHR-UHFFFAOYSA-N 417.937 3.102 0 40 HGAB COc1ccc(Cl)cc1NC(=O)c1ccc(N2C(=O)C(C)(C)CS2(=O)=O)cc1 15843218 PXJNETDIXAMJGQ-UHFFFAOYSA-N 422.890 3.304 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)Nc2cc(OC)cc(OC)c2)c1 7969826 RETZBYHIZDABFV-UHFFFAOYSA-N 406.504 3.295 0 40 HGAB Cc1nn(C)c2c(N3CCN(C(=O)/C=C/c4ccccc4)CC3)nc(C(C)C)nc12 28557781 HOHXNZKZKDMSBK-ZHACJKMWSA-N 404.518 3.157 0 40 HGAB CC1=Nc2ccccc2N=C(NC(=O)CSc2nnnn2C)[C@@H]1c1ccc(F)cc1 9614626 LYERQESKDSHLNX-SFHVURJKSA-N 423.477 3.178 0 40 HGAB Cc1cccc(C)c1N1C(=O)C[C@H](N2CCC(C(=O)Nc3ccccc3)CC2)C1=O 96924939 MDGDOIWAOLMCHL-FQEVSTJZSA-N 405.498 3.286 0 40 HGAB Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)N3CCCC[C@H]3c3nc[nH]n3)c12 95456567 NCSYMXYOJFREBL-SFHVURJKSA-N 401.474 3.429 0 40 HGAB CCN(C)[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccccc1 95446994 IYQQAHUDZBLHRI-FQEVSTJZSA-N 401.532 3.103 0 40 HGAB C[C@@H](CCc1cccn1C)NC(=O)c1cccc(-c2cnc3[nH]c(=O)n(C)c3c2)c1 95945815 KSZHSSRUWIWAAN-HNNXBMFYSA-N 403.486 3.018 0 40 HGAB CC1=C(C(N)=O)[C@@H](c2ccccc2)NC(SCC(=O)Nc2cc(C)ccc2C)=N1 408986426 CGLOTGMGFKYYSJ-HXUWFJFHSA-N 408.527 3.435 0 40 HGAB Cc1cc(C)c(NS(=O)(=O)c2ccc(C)c(C(=O)N3CCOCC3)c2)c(C)c1 408610140 VANHDDRNXVOFFN-UHFFFAOYSA-N 402.516 3.193 0 40 HGAB Cc1ccc(NC(=O)Cn2cnc3nc(N4CCC[C@@H](C)C4)sc3c2=O)c(C)c1 67226173 SRZNERMDQPRTGI-CQSZACIVSA-N 411.531 3.345 0 40 HGAB CCOC(=O)CSC1=NC(C)=C(C(N)=O)[C@H](c2cccc(Cl)c2Cl)N1 408994690 ZQCUPWBBSPVZPZ-AWEZNQCLSA-N 402.303 3.049 0 40 HGAB COc1ccc(N([C@@H](C)C(=O)N(C)Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1 38771185 OWEGDVRTOUDMSW-AWEZNQCLSA-N 410.923 3.162 0 40 HGAB COc1ccc(Cl)cc1N([C@H](C)C(=O)N(C)Cc1ccccc1)S(C)(=O)=O 408559595 WEZKSQJBTOOENO-CQSZACIVSA-N 410.923 3.162 0 40 HGAB COCCNC(=O)c1sc2ccccc2c1[C@@H]1CCN(C(=O)c2cnc(C)cn2)C1 72352421 ZTJNWTWABVEROT-OAHLLOKOSA-N 424.526 3.006 0 40 HGAB Cn1cc(C(=O)N2CCCC[C@@H]2c2nc(N)ncc2-c2cccc(Cl)c2)ccc1=O 72377207 YYNRUXURUYNQEX-GOSISDBHSA-N 423.904 3.445 0 40 HGAB Cc1ccc([C@H](C)NC(=O)[C@H]2CCN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cc1 44933594 WNHRPCBJQPFOIV-IFXJQAMLSA-N 422.934 3.443 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N(C)c3ccccc3)C2)cc1C 226084915 YJTWGTOVJZKLMJ-QGZVFWFLSA-N 402.516 3.067 0 40 HGAB Cc1ccc(CN(CC(=O)NCc2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1 224352048 UFBSEJFOJAGQFM-UHFFFAOYSA-N 414.449 3.092 0 40 HGAB Cc1ccc(-n2cc(C(=O)N3CCC(NC(=O)c4ccc(F)cc4)CC3)nn2)cc1C 49406315 WOLBBWRNVBJNGZ-UHFFFAOYSA-N 421.476 3.058 0 40 HGAB CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1Cc1ccco1 223647113 SREDBERMGJLNPJ-PMACEKPBSA-N 410.499 3.060 0 40 HGAB COc1ccccc1[C@H](C)NC(=O)c1ccc(C)c(S(=O)(=O)N2CCCC2)c1 225846578 OWVZPUDMQNBTPB-INIZCTEOSA-N 402.516 3.279 0 40 HGAB C[C@@H](C(=O)NCc1cccc2ccccc12)N(c1ccc(F)cc1)S(C)(=O)=O 222851538 ICSPMUYYYBKBAO-HNNXBMFYSA-N 400.475 3.450 0 40 HGAB O=C(NCCOCc1ccccc1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl 224103747 PHNZWROBXYNWDB-UHFFFAOYSA-N 422.934 3.071 0 40 HGAB CS(=O)(=O)C[C@H](Nc1ccc(S(=O)(=O)C(F)(F)F)cc1)c1ccccc1 95443189 IXLDPINDJYOQLY-HNNXBMFYSA-N 407.435 3.178 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCCc3cccc(C)c3)C2)cc1 260901757 NOIFYCMDANJHOO-NRFANRHFSA-N 414.571 3.453 0 40 HGAB C[C@H](NC(=O)c1n[nH]c2ccccc12)C(=O)Nc1ncc(Cc2ccccc2)s1 590495676 XDWXBWWQTBXBCN-ZDUSSCGKSA-N 405.483 3.367 0 40 HGAB CC(C)CCN1C(=O)C(C)(C)COc2cc(NS(=O)(=O)c3cnn(C)c3)ccc21 96103560 FWGBWFRVYCDSAU-UHFFFAOYSA-N 420.535 3.019 0 40 HGAB COc1cccc(S(=O)(=O)N2CC[C@@H]3[C@H](CN3C[C@@H](C)c3ccccc3)C2)c1 585107934 GQDSFXBAETZEBS-SFGWALBWSA-N 400.544 3.194 0 40 HGAB O=C1N[C@]2(COC3(CCN(C[C@H]4CCC=CO4)CC3)C2)Nc2ccc(Cl)cc21 72325622 VCYHICKOYHAHDL-IIBYNOLFSA-N 403.910 3.139 0 40 HGAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(C)cc3)CC2)cc1 5578543 GAKQCKARHYQWDO-UHFFFAOYSA-N 416.543 3.111 0 40 HGAB COc1cc([C@H]2c3cc4c(cc3O[C@@](C)(OC)[C@@H]2C(C)=O)OCO4)cc(OC)c1O 5663579 LZWQTIFDUCCYTH-TUNNFDKTSA-N 416.426 3.230 0 40 HGAB CC1(C)O[C@@H]2O[C@H](C(=O)Nc3ccccc3C(F)(F)F)[C@@H]3OC(C)(C)O[C@@H]3[C@@H]2O1 11851673 GSQCRPFGOPNVJK-BLDNINTCSA-N 417.380 3.040 0 40 HGAB CC(=O)Nc1ccc(NC(=O)Cn2cc(OCc3ccccc3)c(=O)cc2C)cc1 12450950 JBROTPNBKWSQNW-UHFFFAOYSA-N 405.454 3.333 0 40 HGAB CCOc1ccc2nc(SCC(=O)NCCc3ccc(OC)c(OC)c3)[nH]c2c1 12623582 HFWDFQAEIFPQOK-UHFFFAOYSA-N 415.515 3.430 0 40 HGAB COc1ccc(N2C[C@]34C=C[C@H](O3)[C@H](C(=O)N[C@H](C)CCCC(C)C)[C@@H]4C2=O)cc1 12892020 OLAUHODKTOCQBC-LXFFINNZSA-N 412.530 3.313 0 40 HGAB COc1ccccc1N(CC(=O)N1CCC[C@H](C)C1)S(=O)(=O)c1ccc(C)cc1 13672514 QKXZFGIJEDKPAJ-SFHVURJKSA-N 416.543 3.457 0 40 HGAB CC[C@H](C(=O)Nc1cccc(C(=O)OC)c1C)N(c1ccc(F)cc1)S(C)(=O)=O 13715689 DQXBHGVPPUNURN-GOSISDBHSA-N 422.478 3.104 0 40 HGAB Cc1ccc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccccc2C(F)(F)F)c(O)c1 14246278 AKCPQEXOPUSEHZ-LLVKDONJSA-N 402.394 3.025 0 40 HGAB C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)N(C)CC(=O)Nc1ccccc1C(F)(F)F 16634557 OJAYVHTTWDPGRH-LBPRGKRZSA-N 423.391 3.332 0 40 HGAB CC[C@@H](Oc1ccccc1F)C(=O)N1CC[C@H](c2cc(=O)[nH]c(-c3ccccn3)n2)C1 19499348 HQYIRPDQUAHCLB-HNAYVOBHSA-N 422.460 3.145 0 40 HGAB CCCC(=O)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)CN(C(=O)CC1CCCCC1)CC2 19501341 LMHJHMMHZOTSHX-IBGZPJMESA-N 414.550 3.089 0 40 HGAB Cc1cc(C)cc(N(CC(=O)Nc2ccc(Br)cc2)S(C)(=O)=O)c1 19947209 KQFQLADXTWLYGD-UHFFFAOYSA-N 411.321 3.471 0 40 HGAB CN1CCOc2ccccc2CCCCC2(CCN(Cc3cn(C)cn3)CC2)C1=O 643561840 BVIWYHWBWSDAHQ-UHFFFAOYSA-N 410.562 3.266 0 40 HGAB COc1cc([C@H]2SC(C)=Nc3c2c(=O)[nH]n3C(C)C)c(OC)c2c1OCCO2 85412241 GISKLDRQHTXVSX-QGZVFWFLSA-N 405.476 3.432 0 40 HGAB O=C(CSc1nccn(-c2ccc(Br)cc2)c1=O)NC1CCCC1 9761496 LUWOVFBCKQXQFP-UHFFFAOYSA-N 408.321 3.146 0 40 HGAB COc1ccc(-n2ccnc(SCC(=O)Nc3ccc(F)cc3F)c2=O)cc1 10272703 MFHDKUHPANRHNS-UHFFFAOYSA-N 403.410 3.250 0 40 HGAB CC(C)C(=O)Nc1ccc(C(=O)NCCNC(=O)CCSc2ccccc2)cc1 13854590 JSMFSCMCWWWKGI-UHFFFAOYSA-N 413.543 3.310 0 40 HGAB COc1ccccc1C1(CNC(=O)C(=O)Nc2ccccc2Cl)CCOCC1 16975849 DSWNFCZNINWLTF-UHFFFAOYSA-N 402.878 3.152 0 40 HGAB COC(=O)Nc1ccc(S(=O)(=O)NC[C@@H](O)c2cc(-c3ccco3)cs2)cc1 1775971969 PORRPISHEXIVFB-OAHLLOKOSA-N 422.484 3.198 0 40 HGAB Cc1ccc(S(=O)(=O)NCCCCN2CCO[C@H](c3ccccc3)C2)cc1C 36700388 OMRAWEYZIFIQRY-QFIPXVFZSA-N 402.560 3.435 0 40 HGAB O=C1NC2=C(C(=O)N(Cc3cccs3)C2)[C@@H](c2ccc(Br)cc2)N1 12879432 FELOLTVSIULLKN-OAHLLOKOSA-N 404.289 3.161 0 40 HGAB O=C1CC[C@]2(C(=O)Nc3ccc(Br)cc3)N=C(O)c3ccccc3N12 40282780 XNRRAWMECDJLIJ-SFHVURJKSA-N 400.232 3.229 0 40 HGAB O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1)NCc1ccccn1 794330 AKMQINMKYXXQDB-UHFFFAOYSA-N 421.950 3.375 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccc(Cl)cc3)C2)cc1 799989 HFJAZAPMBOEXQB-MRXNPFEDSA-N 422.934 3.066 0 40 HGAB COc1cc([C@@H]2CC(c3ccccc3OC(C)=O)=NN2C(C)=O)cc(OC)c1OC 984721 WWDWQPSMMHFFER-SFHVURJKSA-N 412.442 3.335 0 40 HGAB CCOC(=O)c1nn(-c2cccc(Cl)c2)c2nc(Nc3ccccc3)cc(=O)n12 1016706 ZPILHNXENJXDHG-UHFFFAOYSA-N 409.833 3.454 0 40 HGAB COCC(=O)N(Cc1ccc(F)cc1)Cc1cc2cc(C)c(C)cc2n2nnnc12 1367458 ILKCXQGAPABWKB-UHFFFAOYSA-N 407.449 3.209 0 40 HGAB COC(=O)[C@@](NNc1cccc(Cl)c1)(NC(=O)c1cccc(F)c1)C(F)(F)F 2050537 GERXVTZGMPNJEQ-INIZCTEOSA-N 419.762 3.257 0 40 HGAB CCc1nnc(NC(=O)c2cccc(S(=O)(=O)N(C)c3ccc(C)cc3)c2)s1 2621576 INBGMNPTPGTXEZ-UHFFFAOYSA-N 416.528 3.486 0 40 HGAB CC[C@H](OC(=O)[C@H](CC(C)C)NC(=O)c1ccccc1)C(=O)Nc1cc(C)on1 2759120 IQICGZBMGBHXCT-IRXDYDNUSA-N 401.463 3.088 0 40 HGAB O=C(NCCc1ccccc1)C(=O)c1cn(CC(=O)N2CCCCC2)c2ccccc12 3015371 RNCOSEGRGVVHRL-UHFFFAOYSA-N 417.509 3.195 0 40 HGAB C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)NCc3ccc(Cl)cc3)c2)C[C@H](C)O1 3452050 DHLZKRNKFFBUPO-GJZGRUSLSA-N 422.934 3.068 0 40 HGAB O=C(CN1C(=O)NC2(CCCCCCC2)C1=O)Nc1ccc(Br)cc1 3463303 FIJKSKJYLPBLKS-UHFFFAOYSA-N 408.296 3.423 0 40 HGAB C[C@H](CCc1ccccc1)NC(=O)COC(=O)c1cc(Br)ccc1N 4246363 WTIRPFDSZICXBP-CYBMUJFWSA-N 405.292 3.326 0 40 HGAB COC(=O)c1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ncccn2)cc1 5163965 XIERTLTXSYLDAG-SFHVURJKSA-N 413.389 3.119 0 40 HGAB CC(C)(C)NC(=O)NC(=O)CSc1nnc2c(Cl)cc(C(F)(F)F)cn12 6080638 RZNVTYRCBLIDLP-UHFFFAOYSA-N 409.821 3.118 0 40 HGAB O=C(Nc1nc(-c2ccccn2)cs1)c1ccc(S(=O)(=O)N2CCCC2)cc1 6346728 IZIYCBQBGKAEQG-UHFFFAOYSA-N 414.512 3.242 0 40 HGAB O=C(COC(=O)C(O)(c1ccccc1)c1ccccc1)c1ccc2c(c1)OCCO2 6601631 UUSZZNJLRUZRAY-UHFFFAOYSA-N 404.418 3.120 0 40 HGAB COc1ccc2[nH]cc(CCNC(=O)Cc3c(C)c4ccc(O)cc4oc3=O)c2c1 6624420 QHRTYFOZQOQFGZ-UHFFFAOYSA-N 406.438 3.198 0 40 HGAB biogenic C[C@H](NC(=O)CN1C(=O)c2ccccc2S1(=O)=O)c1ccc(Cl)cc1Cl 7605823 SBYYMVSFNJXTMJ-JTQLQIEISA-N 413.282 3.015 0 40 HGAB COc1cccc(C(=O)CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)c1 7653595 BIMFURZFEIPDSB-UHFFFAOYSA-N 400.434 3.374 0 40 HGAB Cc1ccc(C(=O)NCCSCc2ccccc2)cc1S(=O)(=O)N1CCCC1 7881086 BWLHWHVAKDOENJ-UHFFFAOYSA-N 418.584 3.443 0 40 HGAB O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1ccc(Cn2nnc3ccccc32)cc1 8748398 DUTGNIFFJWTTDD-QFIPXVFZSA-N 411.509 3.484 0 40 HGAB COC(=O)c1sccc1NC(=O)c1nn(-c2ccc(Cl)cc2)c(C)cc1=O 9049647 UBWZBMXADOICQM-UHFFFAOYSA-N 403.847 3.295 0 40 HGAB Cc1ccc2c(c1)C[C@]1(CN2C)C(=O)NC(=O)N([C@@H](C)CCc2ccccc2)C1=O 9089599 XKZHFSRLQGIMQN-XDHUDOTRSA-N 405.498 3.073 0 40 HGAB Cc1ccc(N2C(=O)N(Cc3nc(N)nc(Nc4ccccc4C)n3)C(=O)[C@@H]2C)cc1 9368381 REAZITQSMMDRNC-HNNXBMFYSA-N 417.473 3.172 0 40 HGAB CCOC(=O)c1sc2nc(NC(=O)c3cccc(S(C)(=O)=O)c3)sc2c1C 9712726 LKECOUYSMUKHMR-UHFFFAOYSA-N 424.525 3.499 0 40 HGAB O=C(c1ccc(Cl)cc1)N1CCCC[C@H](Sc2nc3ncccn3n2)C1=O 10074181 OBABSPLLSGIRJY-AWEZNQCLSA-N 401.879 3.091 0 40 HGAB COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)ccc1OCC#N 10130529 DMPYCKQWUBPSOM-LFIBNONCSA-N 421.478 3.046 0 40 HGAB C[C@H](NC(=O)[C@H](C)N1CC[C@@]2(CCC1=O)CC(=O)c1ccccc1O2)c1ccccn1 12086372 NBVMTLWGBWFSHP-UAVUOLJFSA-N 421.497 3.064 0 40 HGAB O=C(CCCOC(=O)c1sccc1S(=O)(=O)NC1CC1)c1ccc(F)cc1 12752237 AVOYGJGITFNAJT-UHFFFAOYSA-N 411.476 3.148 0 40 HGAB Cc1cc(C)c(NC(=O)CN(Cc2ccco2)[C@@H]2CCS(=O)(=O)C2)c(Cl)c1 12786373 YPVWWQWOHOAYTA-OAHLLOKOSA-N 410.923 3.178 0 40 HGAB C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)c3cc4ccccc4o3)cc2)C[C@@H](C)O1 13126684 PXICMEYWFQOIIX-GASCZTMLSA-N 414.483 3.483 0 40 HGAB Cn1c(SCC(=O)NC(=O)Nc2ccccc2F)nnc1-c1ccc(F)cc1 13135276 OHEJMSAWUYFUPB-UHFFFAOYSA-N 403.414 3.201 0 40 HGAB COc1ccc(-c2cc(NC(=O)c3cccs3)n([C@H]3CCS(=O)(=O)C3)n2)cc1 13683611 YEKMSCKOGXQFML-AWEZNQCLSA-N 417.512 3.232 0 40 HGAB COc1ccc(C(=O)[C@H](C)[C@@H]2[C@@H](C(=O)NCc3ccccc3)C(=O)OC2(C)C)cc1 15321482 KKFUILHAZBACCO-UIAACRFSSA-N 409.482 3.398 0 40 HGAB COCCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(OCc2ccccc2)cc1 16728951 UQCAPQPKSVNBJP-HXUWFJFHSA-N 412.511 3.248 0 40 HGAB O=C(CSc1n[nH]c(=O)c2cc(-c3cccs3)nn12)N1CCCc2ccccc21 16843750 OLLPRQQGENMAMF-UHFFFAOYSA-N 423.523 3.218 0 40 HGAB CC(C)(C)c1ccc(OCC(=O)N2CCO[C@@H](c3nc(-c4cccnc4)no3)C2)cc1 19084521 UNXHGBRORDFQFZ-LJQANCHMSA-N 422.485 3.408 0 40 HGAB COc1cc(C)ccc1CN1C[C@@H](c2ccc(F)c(F)c2)[C@@]2(COCCC(=O)N2)C1 19134144 DCTYXPPCLAXOKV-MBSDFSHPSA-N 416.468 3.157 0 40 HGAB COc1cc(CN2CCc3nc(-c4ccncc4)[nH]c(=O)c3C2)ccc1OC(C)C 19450772 ZVJAETCEURQHRR-UHFFFAOYSA-N 406.486 3.186 0 40 HGAB CCc1c(C)sc2ncn([C@H]3CCCN(CC(=O)NC4CCCC4)C3)c(=O)c12 19521819 GEKWSMMAPHRLRF-INIZCTEOSA-N 402.564 3.025 0 40 HGAB O=C(NCCCn1ccnc1)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl 20492062 CKHGTANYLZBMEB-UHFFFAOYSA-N 418.906 3.157 0 40 HGAB O=C1C[C@@H](NCCN2CCC(Cc3ccccc3)CC2)C(=O)N1c1ccc(F)cc1 22118189 QCPIQZBPHOPNFA-JOCHJYFZSA-N 409.505 3.002 0 40 HGAB COC(=O)c1cc(NC(=S)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)ccc1Cl 22134197 DPFBLCUYQQWZOC-QWHCGFSZSA-N 417.918 3.104 0 40 HGAB CC[C@H](OC[C@@H](O)CN1CCN(Cc2ccc3c(c2)OCO3)CC1)c1ccccc1 22870640 BURKISBUYAVOCA-VXKWHMMOSA-N 412.530 3.062 0 40 HGAB C[C@H](NC(=O)C(=O)NC[C@@H](c1ccco1)N1CCc2ccccc2C1)c1ccccc1 22907567 PTKKRAHNDJQKSV-AVRDEDQJSA-N 417.509 3.373 0 40 HGAB CC[C@H](CNC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)CC)c1ccccc1 22973491 CQJOARJDNCFTIO-UTKZUKDTSA-N 400.544 3.073 0 40 HGAB CCN1CCN(C(=O)[C@H](C)Sc2nnc(-c3cccc(Cl)c3)n2CC)CC1 23508418 KBRQPWJXKYSZCX-AWEZNQCLSA-N 407.971 3.263 0 40 HGAB COc1ccc(CN2CCN(C(=O)CCc3nnc(-c4ccccc4)o3)CC2)cc1F 24638352 ICCIAVGWQHEDOI-UHFFFAOYSA-N 424.476 3.161 0 40 HGAB CSc1ccc(N2C[C@H](C(=O)N3CCN(Cc4cccs4)CC3)CC2=O)cc1 25462858 SQQWQRYGXZIZMN-MRXNPFEDSA-N 415.584 3.167 0 40 HGAB Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)Nc1ccc(F)c(NS(C)(=O)=O)c1 25516019 XYHGXXHWWBKPRQ-UHFFFAOYSA-N 420.441 3.391 0 40 HGAB CN(C(=O)COc1ccc(CCO)cc1-n1nc2ccccc2n1)C1CCCCC1 29463082 AQNWKEOAFYIBMV-UHFFFAOYSA-N 408.502 3.125 0 40 HGAB O=C(CN1C(=O)CSc2ccccc21)OCc1cc(Cl)c2c(c1)OCCO2 32738263 RLNYAXJHUVZFJO-UHFFFAOYSA-N 405.859 3.293 0 40 HGAB C[C@@H](NC(=O)CN1C(=O)N[C@](C)(c2ccccn2)C1=O)c1ccc(Cl)cc1Cl 32915323 AOAWZCDKLWTBMS-NSPYISDASA-N 421.284 3.033 0 40 HGAB COc1cccc(S(=O)(=O)c2c(C(=O)N3CCCC3)cnc3ccc(F)cc23)c1 33249410 DNDXIYXTKYHBKE-UHFFFAOYSA-N 414.458 3.451 0 40 HGAB Cc1ccc(Cl)cc1N1CCn2c1nc1c2c(=O)n(Cc2ccccc2)c(=O)n1C 33536078 QSNKEMOIYSPXBT-UHFFFAOYSA-N 421.888 3.059 0 40 HGAB O=C(NCc1ccccc1)NC1(C(=O)NCc2ccc3c(c2)OCO3)CCCCC1 35314596 XQAKXHXECUFYGJ-UHFFFAOYSA-N 409.486 3.234 0 40 HGAB Cc1nn(C)c2nc(C3CC3)cc(C(=O)Nc3cc(-n4cnnn4)ccc3Cl)c12 36615873 UGDOIWUGCIWXPX-UHFFFAOYSA-N 408.853 3.036 0 40 HGAB CCOc1ccc(N(C)S(=O)(=O)c2ccsc2C(=O)n2nc(C)cc2C)cc1 38654844 JUECVXWTBGVRFF-UHFFFAOYSA-N 419.528 3.474 0 40 HGAB O=C1C[C@H](C(=O)N2CCC[C@H]2c2nnc3ccccn23)CN1c1cccc(Cl)c1 40069353 OKTLONZVMRUKMR-YOEHRIQHSA-N 409.877 3.099 0 40 HGAB C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc2c(cc1Br)OCCO2 40079835 LTQDHTJVZPRQOZ-SECBINFHSA-N 401.257 3.072 0 40 HGAB CNC(=O)C1CCN(C(=O)c2ccc(-c3nnc(-c4ccccc4C)o3)cc2)CC1 48252469 HHEZAULQYMEISK-UHFFFAOYSA-N 404.470 3.310 0 40 HGAB O=C([C@H]1Cc2ccccc2CN1Cc1nc(-c2ccc(F)cc2)no1)N1CCCC1 48302984 SFGIDRCGHARVPN-HXUWFJFHSA-N 406.461 3.425 0 40 HGAB COc1cccc([C@@H](CNC(=O)Cc2cc(Cl)c3c(c2)OCCCO3)N(C)C)c1 48325244 QYLHHCHSKTVUFS-LJQANCHMSA-N 418.921 3.472 0 40 HGAB COc1cccc(N2CCN(CC(=O)NCc3ccc(Cl)cc3Cl)CC2)c1 58149158 ABAAXMSMYSFXKF-UHFFFAOYSA-N 408.329 3.440 0 40 HGAB Cc1nc(-c2ccsc2)sc1C(=O)N1CCN(C(=O)c2cccc(O)c2)CC1 58312628 UZMDIUXVGJMIET-UHFFFAOYSA-N 413.524 3.484 0 40 HGAB Cc1cc(C)cc(OCCN2C(=O)N[C@@](C)(c3ccc4c(c3)OCCCO4)C2=O)c1 60751923 QSXBUTQDHMDFIM-QHCPKHFHSA-N 410.470 3.311 0 40 HGAB CCc1nc2ccccc2n1CC(=O)Nc1ccc(C(=O)NCCN(CC)CC)cc1 71839262 BNNZPEPBDFJNRN-UHFFFAOYSA-N 421.545 3.309 0 40 HGAB CC[C@@H](NC(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1)c1nnc2n1CCCCC2 72318844 WJNSBOFUHGTEGH-QZTJIDSGSA-N 411.506 3.003 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NS(=O)(=O)c1ccc(F)cc1 89646984 YSVVPSKWODYWDP-UHFFFAOYSA-N 412.508 3.110 0 40 HGAB COc1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)cc1OC 89929989 XHBPRXUDVQJLIK-UHFFFAOYSA-N 418.515 3.377 0 40 HGAB C[C@H]1CN(CCOc2ccc(CCNC(=O)Cc3ccc4c(c3)OCO4)cc2)C[C@@H]1C 95460123 QRIHZMYOWSLACY-OALUTQOASA-N 424.541 3.283 0 40 HGAB O=C(Cn1nc(-c2ccco2)n(C2CC2)c1=O)Nc1ccc(OC(F)(F)F)cc1 96119127 PEAYCUMJJBARGX-UHFFFAOYSA-N 408.336 3.177 0 40 HGAB O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O)Nc1ccc(Oc2ccccc2)cc1 100283418 BHLDCODYWYEGSQ-XPRTXTSQSA-N 414.461 3.471 0 40 HGAB Cn1c(S)nc2cc(C(=O)NCCc3ccc(Br)s3)ccc2c1=O 102692780 GEMITHOECFJYKO-UHFFFAOYSA-N 424.345 3.019 0 40 HGAB COc1cccc([C@H](O)CN(Cc2ccccc2)S(=O)(=O)N(C)[C@H](C)C2CC2)c1 108164647 UHFRZFAVSQLVTL-VGOFRKELSA-N 418.559 3.206 0 40 HGAB CCOC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccc(Br)cc1 113874647 JADZMKRVYIIQOD-UHFFFAOYSA-N 416.268 3.347 0 40 HGAB COc1ccc(-c2noc(CNC(=O)[C@H](C)Oc3cccc(C)c3C)n2)c(OC)c1 219311407 KWFWWERHJYVQJE-HNNXBMFYSA-N 411.458 3.454 0 40 HGAB COc1ccc(C)cc1S(=O)(=O)N1CCC[C@@H](C(=O)NCc2cccc(C)c2)C1 222547844 BEOCNIZRNNVTIX-LJQANCHMSA-N 416.543 3.029 0 40 HGAB CCOc1ccccc1N(CCCC(=O)N1CCc2ccccc2C1)S(C)(=O)=O 222609705 FPKNDALKIYYHAH-UHFFFAOYSA-N 416.543 3.216 0 40 HGAB CCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CCc1ccc2c(c1)OCO2 224390495 QBPIQXLWBQSLGL-LJQANCHMSA-N 414.477 3.431 0 40 HGAB COc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(C)c(C)c2)cc1N1C(=O)CCC1=O 225261239 LSCSUJSZPGECHL-HNNXBMFYSA-N 416.499 3.005 0 40 HGAB COc1cc(OC)nc(NC(=S)NCC2(c3cccc(Cl)c3)CCOCC2)n1 225997255 STXKOHIBTAVBSW-UHFFFAOYSA-N 422.938 3.182 0 40 HGAB COc1cc(CO)cc(CSC)c1OC(=O)c1cc(OC)c(OC)c(OC)c1 226289154 ZJMHMNCTXIAFKM-UHFFFAOYSA-N 408.472 3.296 0 40 HGAB Cc1nc(N2CCN(c3ccccc3F)CC2)nc2c1OC(c1ccccc1)=NN2C 257173011 ACTSKLFORKMEOC-UHFFFAOYSA-N 418.476 3.441 0 40 HGAB CCc1nnc(Nc2cc(C)nc([C@H]3CN(C(=O)c4ccccn4)CCO3)c2)s1 257277104 NWKDCRYXDUACEN-QGZVFWFLSA-N 410.503 3.156 0 40 HGAB O=C(CCCN1CCCCCC1)N1CCO[C@H](c2cccc(Nc3cnccn3)n2)C1 257335159 YIXVKYDQQGRCAN-FQEVSTJZSA-N 424.549 3.171 0 40 HGAB Cc1occc1C(=O)N1CCN(C)[C@H](c2nnn3cc(-c4ccsc4)ccc23)C1 306129117 HUZMOCQQLHABFK-IBGZPJMESA-N 407.499 3.488 0 40 HGAB CC(C)n1cnc([C@@H]2CN(C(=O)C3CCC3)C[C@@]23CCN(Cc2ccncc2)C3=O)c1 306139911 UDRSGCRZXNSLAC-RDPSFJRHSA-N 421.545 3.004 0 40 HGAB CCN1C(=O)/C(=C/c2cc(C(=O)c3ccccc3)c(OC)cc2OC)N(C)C1=S 409041631 AVGAUZZRGOLRHC-ATVHPVEESA-N 410.495 3.355 0 40 HGAB CC(C)C[C@@H]1NC(=O)C2(CCCCOCCCNC1=O)CCN(C1CCCC1)CC2 643581774 ZFWWDJIBVFAIRX-NRFANRHFSA-N 421.626 3.249 0 40 HGAB Cc1ccc(C(C)C)c(OCC(=O)N(Cc2cccnc2)[C@@H]2CCS(=O)(=O)C2)c1 680503573 KVKCLWGVNZKMPE-LJQANCHMSA-N 416.543 3.108 0 40 HGAB CS(=O)(=O)c1ccc(CCC(=O)NC[C@@H](O)c2ccc(-c3cccs3)o2)cc1 1888972900 IQRFNDUIFNJHES-MRXNPFEDSA-N 419.524 3.194 0 40 HGAB O=C1COc2ccc(F)cc2CCCC[C@@H]2CN(Cc3nccs3)CC[C@@H]2N1 2037988946 OOMCAPJAWDMADC-AEFFLSMTSA-N 403.523 3.394 0 40 HGAB O=C([C@@H]1C[C@@H]1c1ccc(Cl)cc1)N1CC[C@H]2C[C@H](CN3CCCOCC3)O[C@H]2C1 2056225569 RIYZQJUCHZKZHK-NBYDKTAJSA-N 418.965 3.172 0 40 HGAB COC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccc(OCc2ccccc2F)c(OC)c1 724945 KCSWPPCSKUHYRK-HXUWFJFHSA-N 424.432 3.467 0 40 HGAB COc1cccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)nc(C)n3)cc2)c1 913086 FRSSPIGMALONEN-UHFFFAOYSA-N 412.471 3.155 0 40 HGAB CC1=C(C(N)=O)[C@@H](c2cccc(C)c2)N2NC(SCc3ccccc3F)=NC2=N1 958597 RYQSWINVGXUBAK-GOSISDBHSA-N 409.490 3.414 0 40 HGAB C[C@H](NC(=O)CN(C)S(=O)(=O)c1cc(Cl)ccc1Cl)c1ccccc1 2093600 QMJBHTZSNQZZPM-LBPRGKRZSA-N 401.315 3.491 0 40 HGAB CCCC[C@H](NC(=O)[C@H](C)Oc1cc(C)cc2oc(=O)c3c(c12)CCC3)C(=O)O 2105366 WTWUMCLAIXHOQK-BBRMVZONSA-N 401.459 3.117 0 40 HGAB biogenic O=C(N[C@]1(C(F)(F)F)N=C(O)N(Cc2ccccc2)C1=O)c1cccc(Cl)c1 2195407 YVAGVPJEVYRFLG-KRWDZBQOSA-N 411.767 3.285 0 40 HGAB CNC(=S)N1c2ccccc2NC(=O)[C@H]1CC(=O)Nc1cccc(Cl)c1C 3358000 DOYZINWRGNBILC-MRXNPFEDSA-N 402.907 3.309 0 40 HGAB CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2c(NC(C)=O)sc(C)c2C)c1C 3421277 SEANMHJWOMVGIJ-UHFFFAOYSA-N 420.487 3.485 0 40 HGAB O=C(CSc1nc2sc3c(c2c(=O)[nH]1)CCCC3)NCc1ccc(F)cc1 4469075 LRCPGEZGZILQSE-UHFFFAOYSA-N 403.504 3.411 0 40 HGAB C[C@H](Sc1nnc(-c2ccccc2Cl)n1N)C(=O)Nc1ccc(Cl)cn1 4524076 HOCWXSQRJFVPKQ-VIFPVBQESA-N 409.302 3.480 0 40 HGAB CCCCCOC(=O)[C@@H]1[C@H]2C=C[C@]3(CN(c4ccccc4Br)C(=O)[C@H]13)O2 4555083 CKCXYQYBGQLBIQ-PDOICOKGSA-N 420.303 3.469 0 40 HGAB CCOC(=O)N1CCC(NC(=O)[C@H](CC(C)C)NC(=O)C2CCC(C)CC2)CC1 4778563 RVSMBONDXUHIKJ-TVPLGVNVSA-N 409.571 3.081 0 40 HGAB CC[C@@H]1CCCCN1C(=O)CSc1nc2ccccc2n1CC(=O)NC(C)C 4859286 DQDKNTZRJBNXAJ-MRXNPFEDSA-N 402.564 3.444 0 40 HGAB CCOC(=O)N1CCN(c2ncc3c(n2)C[C@@H](c2ccc(Cl)cc2)CC3=O)CC1 4988742 BLYUVPMQGJSDBV-OAHLLOKOSA-N 414.893 3.321 0 40 HGAB O=C(Nc1cccc(-n2cnnn2)c1)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O 5488559 IHGPOJIDLNOQFI-NRFANRHFSA-N 411.421 3.369 0 40 HGAB CC1(C)OC[C@H]([C@H]2O[C@H]3OC(C)(C)O[C@@H]3C2=C(Br)Br)O1 5741822 YKIWHTZFXBWIDR-AAQQEJRNSA-N 414.090 3.016 0 40 HGAB O=C(CN1C(=O)NC(Cc2ccccc2)(Cc2ccccc2)C1=O)N1CCCCCC1 6084369 VORIKIVXFBLJBH-UHFFFAOYSA-N 419.525 3.165 0 40 HGAB COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2c(Cl)cccc2Cl)cc1 6545420 RMDNHFCZMUAIMW-UHFFFAOYSA-N 403.287 3.261 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccc(F)cc1F 6582595 WVLBILZTSIQAHE-UHFFFAOYSA-N 410.442 3.400 0 40 HGAB CCOC(=O)C1=C(C)N=C2SC=CN2[C@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-] 6891649 ZDMZXKFEJQNACI-INIZCTEOSA-N 405.432 3.380 0 40 HGAB CCOc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)cc1 7915757 OXBSNVFOVOYEOU-HNNXBMFYSA-N 406.479 3.264 0 40 HGAB CCOc1ccccc1C(=O)N[C@H](C(=O)N(C)Cc1ccc2c(c1)OCO2)C(C)C 8072935 GDXGKDPHGCWQOL-NRFANRHFSA-N 412.486 3.227 0 40 HGAB COc1cc(Br)c(CCNC(=O)COc2ccccc2F)cc1OC 8117135 YEEWKNLFIOEHDT-UHFFFAOYSA-N 412.255 3.343 0 40 HGAB COc1ccc(Cl)cc1NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(Cl)cc1 8224127 WUVRPHWRMPIQJA-SNVBAGLBSA-N 403.287 3.308 0 40 HGAB CC[C@@H](C)NC(=O)c1cccc(NC(=O)C[C@H]2SC(N3CCCCC3)=NC2=O)c1 8402062 UDMFEWPQUVNBBE-RHSMWYFYSA-N 416.547 3.027 0 40 HGAB COc1ccc(OC)c(NC(=O)COC(=O)CCCC(=O)Nc2ccc(F)cc2)c1 8417155 NKNWNCHHLHMWLP-UHFFFAOYSA-N 418.421 3.134 0 40 HGAB C[C@@H]1C=CC[C@@H]2C(=O)N(c3ccc(C(=O)Nc4ccccc4C(=O)O)cc3)C(=O)[C@@H]21 8470327 UAPLLPHSXWRNAU-XVGQJIODSA-N 404.422 3.339 0 40 HGAB Cc1ccc(N2C[C@@H](C)Cn3c2nc2c3c(=O)n(CCC(C)C)c(=O)n2C)cc1C 8658332 PRYKKCZAMFBHMY-OAHLLOKOSA-N 409.534 3.347 0 40 HGAB Cc1csc(NC(=O)[C@H]2Cc3ccccc3CN2S(=O)(=O)c2cccs2)n1 9284278 YSWRIWHCGASLAO-OAHLLOKOSA-N 419.553 3.267 0 40 HGAB O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)c2ccc(-n3cccn3)cc2)CC1 9428805 DSYONKVJHLMBCO-UHFFFAOYSA-N 418.453 3.092 0 40 HGAB CN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)OCc1ccccc1C(F)(F)F 9963235 PWAFDVGPQWNABG-HXUWFJFHSA-N 418.371 3.358 0 40 HGAB COc1ccc(N(CC(=O)N2c3ccccc3C[C@@H]2C)S(C)(=O)=O)cc1Cl 10449789 TZMKECLCXHSYQR-ZDUSSCGKSA-N 408.907 3.092 0 40 HGAB Cn1c(=O)n(CCC(=O)Nc2ccc3c(c2)nc2n3CCCCC2)c2ccccc21 11147774 UPDTTYRHFIMPFK-UHFFFAOYSA-N 403.486 3.445 0 40 HGAB CCOc1ccc(NC(=O)c2ccc(S(=O)(=O)N[C@H](C)CC)cc2)cc1OC 11871467 GJNPVTGTEOBBMV-CQSZACIVSA-N 406.504 3.423 0 40 HGAB COc1cc2cc(N)c(C3CCN(C(=O)c4oc(C)nc4C)CC3)nc2cc1OC 12087978 LHYMKOKAYBJOCT-UHFFFAOYSA-N 410.474 3.459 0 40 HGAB Cc1cc(-c2cc(=O)n(CC(=O)NCc3ccc(C)o3)nc2-c2cccs2)on1 12155321 DMPSNNJEGMABJR-UHFFFAOYSA-N 410.455 3.153 0 40 HGAB CCn1cc(S(=O)(=O)NCC[C@H](c2ccccc2)c2ccc3c(c2)OCO3)cn1 12362161 IHXANOPLWPUCPR-LJQANCHMSA-N 413.499 3.132 0 40 HGAB CSCC[C@H](NC(=O)c1nc(-c2ccccc2)n(-c2ccc(C)cc2)n1)C(=O)O 12462103 UKBOMXRLBDDYBQ-KRWDZBQOSA-N 410.499 3.179 0 40 HGAB biogenic,in-vitro O=C(Nc1ccccc1C(=O)Nc1ccc(N2CCOCC2)cn1)c1cccs1 12537384 LWKVMGRVBJOAQC-UHFFFAOYSA-N 408.483 3.484 0 40 HGAB CCN1CCC(NC(=O)c2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2)CC1 12552622 LYLNFBVSMPYDRI-UHFFFAOYSA-N 401.532 3.010 0 40 HGAB C[C@@H]1Cc2cc(C3=NN=C(Nc4ccccc4)SC3)ccc2N1S(C)(=O)=O 12555064 SKQNFPSHJPRRJW-CYBMUJFWSA-N 400.529 3.316 0 40 HGAB Cc1csc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccccc2F)n1 12736432 RGKBCAYIYGYTHV-INIZCTEOSA-N 419.503 3.119 0 40 HGAB CCCC[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc(F)c(F)c1 12758442 NTMCJYDQJPOCEW-INIZCTEOSA-N 407.442 3.201 0 40 HGAB C[C@@H](NC(=O)CSc1nnc([C@@H]2COc3ccccc3O2)n1C)c1ccccc1 12772971 QDZFCDJNKJNCJC-KDOFPFPSSA-N 410.499 3.297 0 40 HGAB CC(C)c1cc(=O)oc2cc(OS(=O)(=O)c3ccc(S(C)(=O)=O)cc3)ccc12 12852613 WQZZDIJGPNGUHU-UHFFFAOYSA-N 422.480 3.088 0 40 HGAB Cc1cc(N2CCN([C@@H](C)C(=O)Nc3ccc(F)c(F)c3)CC2)nc(C(C)C)n1 12855954 LDRJBAKPXUAVEE-HNNXBMFYSA-N 403.477 3.336 0 40 HGAB CCNC(=O)[C@H](C)Nc1nc(CN2CCCCC2)nc2sc3c(c12)CCCC3 12885249 REUWGEPYHBFWBY-AWEZNQCLSA-N 401.580 3.493 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc([C@H](C)NCC(=O)Nc2cccc(C)c2)cc1 13039454 FXMUXOXDOGKQLM-KRWDZBQOSA-N 403.548 3.315 0 40 HGAB COCc1nn2c3c(nnc2c1-c1ccc(OC)cc1)C(=O)C[C@@H](c1ccco1)C3 13639445 KUAXIKOQKUANHZ-AWEZNQCLSA-N 404.426 3.452 0 40 HGAB CC[C@H](C)NC(=O)C1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CC1 13677989 MLTBNZJQDDFWNO-LBPRGKRZSA-N 407.363 3.450 0 40 HGAB CN(C)C(=O)c1ccc(NC(=O)COc2cccc(I)c2)cc1 14316132 HFRMKVCOFGQOGF-UHFFFAOYSA-N 424.238 3.011 0 40 HGAB C=C1c2ccccc2C(=O)N1CC(=O)OCc1cc(=O)oc2cc3c(cc12)CCC3 14706591 SWQOOAQJIJQXQS-UHFFFAOYSA-N 401.418 3.452 0 40 HGAB Cc1ccccc1Nc1nc(N)nc(CN2C(=O)N[C@]3(C[C@@H](C)CC(C)(C)C3)C2=O)n1 16097253 WKCYMKDNCMIOMG-XMHCIUCPSA-N 423.521 3.143 0 40 HGAB COc1ccc(F)cc1S(=O)(=O)N(C)CC(=O)Nc1cc(Cl)ccc1Cl 16188108 PGPFQLGMPWTTRX-UHFFFAOYSA-N 421.277 3.400 0 40 HGAB CCc1ccccc1NC(=O)CN(C)C(=O)C1=NN(c2cc(C)ccc2C)C(=O)CC1 17903909 QUHLFZXHSPARQY-UHFFFAOYSA-N 420.513 3.446 0 40 HGAB CCOc1ccc(N2C(=O)C[C@@H](N3CCC(Nc4ccc(OC)cc4)CC3)C2=O)cc1 18271434 GQVKCKLTBQDGMN-JOCHJYFZSA-N 423.513 3.302 0 40 HGAB COc1ccccc1CN1CCC[C@@](Cc2ccccc2-c2cncnc2)(C(N)=O)C1 19570200 CPIROQMMDIVEPV-VWLOTQADSA-N 416.525 3.462 0 40 HGAB COc1nn(CC(=O)N(Cc2ccncc2)C2CCCCC2)c(=O)c2ccccc12 19594883 WQWCEBZUGFZEKU-UHFFFAOYSA-N 406.486 3.162 0 40 HGAB Cc1cccc(CN2CCC[C@@H](N3C(=O)C4(CCN(CC(C)C)CC4)N=C3O)C2)c1 19699764 PKJQJJHHZLHHQJ-OAQYLSRUSA-N 412.578 3.206 0 40 HGAB O=C(NCC1CC1)c1ccc([C@H]2CCCN(C(=O)COc3ccccc3F)C2)nc1 19705571 IDSNTOAFEFRHJO-SFHVURJKSA-N 411.477 3.146 0 40 HGAB Cc1ccc([C@@H](c2nnnn2C2CCCC2)N2CCN(C(=O)c3ccco3)CC2)cc1 20121753 JYHYAWKZQAHICW-NRFANRHFSA-N 420.517 3.237 0 40 HGAB COc1ccc(NC(=S)NC(=O)COc2ccccc2)cc1-c1ccc(CO)o1 20153601 VNFRIWNZNQNHMA-UHFFFAOYSA-N 412.467 3.340 0 40 HGAB CCOCCCNc1nc2nnnn2c2sc3c(c12)CCN(Cc1ccccc1)C3 20518620 QIHMBPQJDBIIIH-UHFFFAOYSA-N 423.546 3.131 0 40 HGAB CSc1ccc(CNC(=O)COc2cc(C)nc(N3CCC[C@H](C)C3)n2)cc1 21360792 QBVVNLWZFISLQB-HNNXBMFYSA-N 400.548 3.438 0 40 HGAB CS(=O)(=O)N1CCC[C@@H](C(=O)Nc2cccc(OCc3ccc(F)cc3)c2)C1 23147018 WHNWOANBCUOOJC-MRXNPFEDSA-N 406.479 3.015 0 40 HGAB Cc1nn(-c2ccccc2)c(Cl)c1CN1c2ccc(S(N)(=O)=O)cc2C[C@H]1C 27556908 HFQSRHVGYRMGFN-CYBMUJFWSA-N 416.934 3.433 0 40 HGAB O=C(CNC(=O)Cc1ccccc1)NCc1ccc(CN2CCc3ccccc32)cc1 27587978 PNPTXAOAGQFUDA-UHFFFAOYSA-N 413.521 3.224 0 40 HGAB CC(C)c1c(C(=O)NCc2cccnc2N2CCOCC2)cnn1Cc1ccccc1 32637831 PTYHAYIOVPLUCW-UHFFFAOYSA-N 419.529 3.216 0 40 HGAB CCOc1cc2c(cc1NC(=O)[C@@H]1CC(=O)N(c3cccc(OC)c3)C1)O[C@H](C)C2 32759200 YEWAWOMXNUMUGH-GDBMZVCRSA-N 410.470 3.409 0 40 HGAB NC(=O)Nc1ccc(C(=O)N2Cc3cc4c(cc3C3(CCCC3)C2)OCCO4)cc1 32889153 RAOGFPCSHCXSJW-UHFFFAOYSA-N 407.470 3.416 0 40 HGAB O=C(NCCNC(=O)c1cc(Br)c(Br)s1)c1ccco1 32908611 FCJCXHWUMQMUJJ-UHFFFAOYSA-N 422.098 3.026 0 40 HGAB CN(C)[C@H](CNC(=O)C1CCN(C(=O)Nc2ccccc2)CC1)c1cccs1 32970897 VQOYBCGFXZINQX-GOSISDBHSA-N 400.548 3.411 0 40 HGAB COc1ccc([C@H]2CCCN2CC(=O)N2CCN(c3cccc(C)c3)CC2)cc1OC 36397102 HRKLQSMLMAHAJX-JOCHJYFZSA-N 423.557 3.498 0 40 HGAB O=S(=O)(Cc1ccc(F)cc1)NCCc1csc2nc(-c3cccs3)nn12 38669756 DJUMLEPOUYKPMA-UHFFFAOYSA-N 422.532 3.321 0 40 HGAB COc1cccc(-c2c3c(=O)n(Cc4ccccc4OC)ccc3nc3ncnn23)c1 40398265 DWFWXBLYOWWONT-UHFFFAOYSA-N 413.437 3.172 0 40 HGAB CC[C@H](Oc1ccc(F)cc1)C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 44849040 SGECUMNZFVIZJR-IBGZPJMESA-N 400.450 3.056 0 40 HGAB Cc1cccc(NC(=O)Cn2c(=O)n(-c3ccccc3C)c(=O)c3sccc32)c1 57489705 VSYNOMRPZQSACC-UHFFFAOYSA-N 405.479 3.469 0 40 HGAB CCN(C(=O)C(=O)NC1CCN(Cc2ccc(F)cc2)CC1)c1ccc(F)c(F)c1 65532766 NUZRRQVYMGLDOS-UHFFFAOYSA-N 419.447 3.238 0 40 HGAB O=C(CCn1ccn2nc(-c3ccc(F)cc3)cc2c1=O)N1CCc2ccccc2C1 67262380 DOCWDBRBQXTYDE-UHFFFAOYSA-N 416.456 3.277 0 40 HGAB CCN(C(=O)Nc1cc(C(F)(F)F)ccc1N(C)C)[C@@H](C)CS(=O)(=O)CC 72282515 ZGUGSTDFOFCWOU-LBPRGKRZSA-N 409.474 3.448 0 40 HGAB CCCN1CCN(C(=O)c2cnccn2)[C@H](Cc2cccc(-c3ccccc3)c2)C1=O 72351811 SBYCZNNSYDUXFS-HSZRJFAPSA-N 414.509 3.449 0 40 HGAB CN(CC(=O)N1CCC2(CC1)OCCO2)c1nc2c(C(F)(F)F)cccc2s1 77196794 IVUVXZLUKLPUPR-UHFFFAOYSA-N 415.437 3.117 0 40 HGAB COc1ccc(CN(C(=O)c2cc(=O)[nH]c3ccccc23)c2cnn(C)c2)c(OC)c1 84318575 MEISJVIJBLPITF-UHFFFAOYSA-N 418.453 3.126 0 40 HGAB CCOC(=O)CN(CC(=O)Nc1ccc2[nH]c(C(F)(F)F)nc2c1)C(C)(C)C 84793458 QDFNKJDNIFVGOX-UHFFFAOYSA-N 400.401 3.184 0 40 HGAB Cc1noc(CCNC(=O)Nc2c(C)c(C)nn2-c2ccc(Br)cc2)n1 89556301 RCNFLJSNDCKXIS-UHFFFAOYSA-N 419.283 3.307 0 40 HGAB C[C@H]1C[C@@H](NC(=O)COc2ccc(N3CCCC3=O)cc2)CCN1Cc1ccccc1 95408978 RIQLCABSCOHFIC-FPOVZHCZSA-N 421.541 3.362 0 40 HGAB C[C@H](C(=O)NCCCc1nnc2ccccn12)c1ccc(C[C@H]2CCCC2=O)cc1 95478585 XUGXHTRJONRJDG-FXAWDEMLSA-N 404.514 3.494 0 40 HGAB O=C(NCc1cc(Br)ccc1OC(F)F)[C@@H]1CCn2cncc2C1 95972721 IPOCUIBIMCCWMQ-SNVBAGLBSA-N 400.223 3.126 0 40 HGAB COc1cc(/C=C2/N=C3CCCCCN3C2=O)ccc1Oc1ncnc2c1cnn2C 96939910 XDVNFMHMPBKAHN-MHWRWJLKSA-N 418.457 3.320 0 40 HGAB O=C(CN1C(=O)S/C(=C/c2cccs2)C1=O)N[C@H]1CCOc2ccccc21 97996475 UZWUVROGCVDOQM-KNGSKEOJSA-N 400.481 3.424 0 40 HGAB CCc1ccc(N(CCCC(=O)NCc2ccc(OC)cc2)S(C)(=O)=O)cc1 113960903 KOCZYCVVTYGIGX-UHFFFAOYSA-N 404.532 3.120 0 40 HGAB Cn1nc(CN(Cc2ccco2)S(=O)(=O)c2ccc3c(c2)CCO3)cc1C1CC1 217898094 HDQKXBXHVJWURR-UHFFFAOYSA-N 413.499 3.217 0 40 HGAB CCOc1ccccc1N(CCCC(=O)NCCCc1ccccc1)S(C)(=O)=O 222614624 ZECGZAYITSPECA-UHFFFAOYSA-N 418.559 3.381 0 40 HGAB C[C@@H](C(=O)NCc1ccncc1)N(Cc1ccc(F)cc1)C(=O)COc1ccccc1 222929686 ZGPFIZCXGPQGEC-SFHVURJKSA-N 421.472 3.333 0 40 HGAB CCOc1ccc(N(CC(=O)OC)S(=O)(=O)c2ccc(OC)c(Cl)c2)cc1 224952511 MSOBWGHLJIPDHY-UHFFFAOYSA-N 413.879 3.116 0 40 HGAB COC(=O)[C@@H]1C[C@@H](OC)CN1C(=O)CCc1cccc(Oc2ccc(F)cc2)c1 225633544 VKNWDRYAUCHYEB-UXHICEINSA-N 401.434 3.340 0 40 HGAB C[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N[C@H](C)c1ccc2c(c1)CCC2 260951573 YMXPAPPNMBTCAX-CVEARBPZSA-N 416.543 3.216 0 40 HGAB Cc1ccc(CN2CCO[C@H](Cn3nnc4c(Nc5ccccc5)ncnc43)C2)s1 306123680 ATUZZGKOHVFZSE-KRWDZBQOSA-N 421.530 3.236 0 40 HGAB COc1cccc(CN2C[C@@H]3[C@@H](C2)n2cccc2C(=O)N3Cc2csc(C)n2)c1 306126194 DPESYCFYQLYJHI-NHCUHLMSSA-N 408.527 3.343 0 40 HGAB Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)N3CCN(C)CC3)ccc2Cl)c1 408544658 IJNYGKLDASZKKP-UHFFFAOYSA-N 421.950 3.145 0 40 HGAB COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)C(=O)N[C@H](C)CCc1ccccc1 408606905 MOKDYZQWKONWFS-CABCVRRESA-N 424.950 3.153 0 40 HGAB CCOC(=O)COc1ccc(S(=O)(=O)Nc2cccc(Br)c2)cc1 409111613 BCKWDTXGOUXZND-UHFFFAOYSA-N 414.277 3.192 0 40 HGAB C[C@H](NC(=O)COc1ccc(S(=O)(=O)NCc2ccccc2)cc1)c1ccccc1 409190372 XUPKRYOPIXWMQK-SFHVURJKSA-N 424.522 3.421 0 40 HGAB CCCC(=O)N1CCC[C@@H](C(=O)N2CCC(N3CCc4cc(F)ccc43)CC2)C1 513324106 XFROBFHDQLXWEK-GOSISDBHSA-N 401.526 3.218 0 40 HGAB CCN1CCN(C(=O)c2cnccn2)[C@H](Cc2ccc(-c3ccccc3F)cc2)C1=O 585168989 COKVKUOJGKAXCF-JOCHJYFZSA-N 418.472 3.198 0 40 HGAB CCn1nc(C(=O)N2CCCCNC(=O)c3cc(Cl)ccc3OCCC2)cc1C 643558671 TUASFTJNFZLFGM-UHFFFAOYSA-N 418.925 3.300 0 40 HGAB O=C(COc1ccccc1)NC(=S)Nc1ccc(I)cc1 671841 GQEPSUQATFXKRU-UHFFFAOYSA-N 412.252 3.183 0 40 HGAB COc1cccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(C4CC4)CC(=O)N32)c1 2156221 LKCAINTVKLHVBF-REWPJTCUSA-N 401.466 3.024 0 40 HGAB biogenic Nc1nc(CSCCOC(=O)c2cccs2)nc(Nc2ccc(F)cc2)n1 2235606 UPPAKUVOXQBVIB-UHFFFAOYSA-N 405.480 3.488 0 40 HGAB COc1ccccc1NC(=O)COC(=O)c1cccc(I)c1 3244641 QFBXGAIKWWBRND-UHFFFAOYSA-N 411.195 3.095 0 40 HGAB CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Oc2ccc3c(c2)OCO3)c1 3279735 JVJXOHCNSAQUPN-UHFFFAOYSA-N 411.435 3.460 0 40 HGAB Cc1ccccc1-n1c(SCC(=O)NC[C@H]2CCCO2)nnc1-c1ccncc1 3386128 NOOBVQXECWIDGO-QGZVFWFLSA-N 409.515 3.025 0 40 HGAB C[C@@]12CCC(=O)N1[C@H](C(=O)Nc1nc(SCc3ccccc3)ns1)CS2 3424689 SNKHHBRAYJEFRD-YVEFUNNKSA-N 406.558 3.223 0 40 HGAB COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=S)NCCCN(C)C)CC2 3458931 XDOBFRGUWQXCFV-QFIPXVFZSA-N 413.587 3.478 0 40 HGAB CCS(=O)(=O)Nc1ccc(C2=NN(C(C)=O)[C@H](c3ccc(OC)cc3)C2)cc1 4036276 DKJSTFZMNLJJNS-FQEVSTJZSA-N 401.488 3.154 0 40 HGAB COCCCNC(=S)N(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C[C@@H]1CCCO1 4132397 KLEDRZQBMQHXNC-IBGZPJMESA-N 417.575 3.037 0 40 HGAB COCCn1c(C)cc(/C=C2/SC(=O)N(CC(=O)N3CCCCCC3)C2=O)c1C 4383852 XIKVWSDANZYYLJ-QGOAFFKASA-N 419.547 3.190 0 40 HGAB CCOc1ccc(C(=O)C[C@]2(O)C(=O)N(C)c3ccc(Br)cc32)cc1 4554993 HRNJCLKSJNCBCN-LJQANCHMSA-N 404.260 3.285 0 40 HGAB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCn2c1nc1ccccc12 5488949 NKXOEALOSHRFHV-LPHOPBHVSA-N 405.502 3.092 0 40 HGAB O=C(CSc1nnnn1-c1ccccc1)Nc1cccc2cccc(C(=O)O)c12 5861713 RTYIPIAKADLESU-UHFFFAOYSA-N 405.439 3.245 0 40 HGAB O=C(CSc1nnc(-c2ccc(F)cc2)n1Cc1ccccc1)N1CCOCC1 6529757 KGMDJSMUWZGREY-UHFFFAOYSA-N 412.490 3.083 0 40 HGAB COC(=O)c1c(NC(=O)c2ccccc2NS(C)(=O)=O)sc2c1CCCC2 6706864 AOZJCOMNVNFSGZ-UHFFFAOYSA-N 408.501 3.037 0 40 HGAB CCS(=O)(=O)N1CCc2cc(C(=O)CSc3nc4ccccc4n3C)ccc21 6972461 YJMBOEXWKMWSFS-UHFFFAOYSA-N 415.540 3.261 0 40 HGAB Cc1ccc(NC(=O)[C@@H](C)Sc2n[nH]c(=O)n2CCc2ccccc2)cc1F 7301191 TYUCJDCOZPDFDE-CQSZACIVSA-N 400.479 3.381 0 40 HGAB CC(C)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NCc1ccc2c(c1)OCO2 7911830 AASLNMVZYVCENL-MHZGPWMTSA-N 412.530 3.389 0 40 HGAB CC(C)(C)n1nnnc1SCC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 8252743 GGQDNHJHVIQWPC-OAHLLOKOSA-N 417.535 3.045 0 40 HGAB O=C(CCN1C(=O)NC2(CCCC2)C1=O)Nc1cccc(/C=C/c2ccccn2)c1 8394230 QHHCPCYKIQYPOF-MDZDMXLPSA-N 404.470 3.445 0 40 HGAB CC(=O)Oc1ccc2c(C)c(CC(=O)NCCc3ccccc3F)c(=O)oc2c1C 9303955 AHWIFGLEJYTLRY-UHFFFAOYSA-N 411.429 3.376 0 40 HGAB Cc1onc(-c2ccccc2Cl)c1C(=O)NCc1nnnn1-c1ccc(F)cc1 9571054 UMKHMZSCVJSHNK-UHFFFAOYSA-N 412.812 3.348 0 40 HGAB Cc1cc(CSc2ncccc2C(=O)N(C)Cc2nc3ccccc3c(=O)[nH]2)no1 9585903 MPURJWAKCPTYTK-UHFFFAOYSA-N 421.482 3.179 0 40 HGAB NC(=O)[C@@H](NC(=O)c1cc(-c2ccccc2)c(N2CCOCC2)s1)c1ccccc1 10268437 CXGUNVNODBXWRG-FQEVSTJZSA-N 421.522 3.208 0 40 HGAB CC(=O)Nc1ccc(-c2csc(NC(=O)Cn3c(C)csc3=O)n2)c(F)c1 10994152 QLDSYCQWLZIWSB-UHFFFAOYSA-N 406.464 3.078 0 40 HGAB O=C(OCCN1C(=O)c2ccccc2S1(=O)=O)c1ccccc1Cc1ccccc1 11399077 LKXHQMCBTLTGEL-UHFFFAOYSA-N 421.474 3.279 0 40 HGAB COc1cc2cc(N)c(C3CCN(C(=O)c4cnc(C)nc4C)CC3)nc2cc1OC 12087986 SUGUIXMMVNGEKR-UHFFFAOYSA-N 421.501 3.261 0 40 HGAB O=C(NCc1cccnc1)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1 12525843 UOMOCTVTEZOYQJ-UHFFFAOYSA-N 403.410 3.091 0 40 HGAB COc1ccccc1CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)NC2CC2)c1 12754080 GYAVHCGMIIXUHH-UHFFFAOYSA-N 408.907 3.062 0 40 HGAB Cc1ccc(O[C@@H](C)C(=O)N2CCN(Cc3nc(-c4ccc(C)cc4)no3)CC2)cc1 12757421 JXLGGVQXUAKJAK-IBGZPJMESA-N 420.513 3.465 0 40 HGAB Cc1ccc(C(=O)N2CCN(c3ccc(-n4nc(C)c(C)c4C)nn3)CC2)c(C)c1 13009029 ICAFDLUAHFUGJE-UHFFFAOYSA-N 404.518 3.167 0 40 HGAB C[C@@H](C(=O)NCC(c1ccccc1)c1ccccc1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 13164017 DQPCXQOQNBWZPD-YYWHXJBOSA-N 402.494 3.274 0 40 HGAB CC[C@@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C1 13681230 BMVRKVUFLIZKFZ-OLZOCXBDSA-N 407.363 3.450 0 40 HGAB 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KMNRGKJQJGTSBU-KGLIPLIRSA-N 410.923 3.381 0 40 HGAB CC(C)C[C@H](c1nnnn1C1CCCCC1)N1CCN(C(=O)c2ccco2)CC1 20121566 UKWLLNITKURRTP-GOSISDBHSA-N 400.527 3.317 0 40 HGAB O=C1c2oc3ccccc3c(=O)c2[C@H](c2cccc(Cl)c2)N1CCN1CCOCC1 20307943 OJUKQQCKODMGEO-FQEVSTJZSA-N 424.884 3.324 0 40 HGAB COC(=O)c1sccc1S(=O)(=O)Nc1ccccc1C(=O)NC1CCCC1 22021502 HGIYHPBFAJIEAZ-UHFFFAOYSA-N 408.501 3.008 0 40 HGAB CC(C)CCNC(=O)COc1ccc(N(Cc2ccc(F)cc2)S(C)(=O)=O)cc1 22232781 NICVPEOFCZLPRD-UHFFFAOYSA-N 422.522 3.333 0 40 HGAB Cc1ccc(OCC(=O)NC(=S)Nc2ccc(CN3CCOCC3)cc2)cc1C 22438141 GWHSOYDJSZDYHJ-UHFFFAOYSA-N 413.543 3.028 0 40 HGAB O=C(NC1CC1)[C@H](c1ccccc1)N1CCN(Cc2nc3ccccc3s2)CC1 22802897 UJPHZBXCRZAXKK-QFIPXVFZSA-N 406.555 3.434 0 40 HGAB O=C(Nc1ccccc1C(F)(F)F)c1c2c(nn1[C@@H]1CCS(=O)(=O)C1)CCC2 23136969 ZVAZEILMTPRJQV-LLVKDONJSA-N 413.421 3.003 0 40 HGAB COCCCn1c(SCC(=O)N2c3ccccc3CCc3ccccc32)n[nH]c1=O 26319137 IXBXDFDLGBCYOV-UHFFFAOYSA-N 424.526 3.164 0 40 HGAB CS(=O)(=O)c1ccc2nc(NC(=O)c3ccc(CN4CCCC4)o3)sc2c1 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CCN1CCN(Cc2ccc(CNC(=O)Cc3c(F)cccc3Cl)cc2)CC1 32933061 DTXSDARKRUCSOV-UHFFFAOYSA-N 403.929 3.476 0 40 HGAB CCCn1c(SCC(=O)Nc2ccc(NC(C)=O)cc2)nnc1-c1cccnc1 35312288 KYOPACUOLAWAIW-UHFFFAOYSA-N 410.503 3.439 0 40 HGAB Cc1ccc(C)c(N2N=C(C(=O)O[C@@H](C)C(=O)N[C@H]3CCCC[C@@H]3C)CCC2=O)c1 36386144 GSGVHHVLWDPDBS-SZMVWBNQSA-N 413.518 3.413 0 40 HGAB O=S(=O)(NCCCN1CCO[C@@H](c2ccccc2)C1)c1ccc2c(c1)CCCC2 36700280 GSNSRHODZAYKDH-HSZRJFAPSA-N 414.571 3.307 0 40 HGAB COC(=O)C[C@@H](NC(=O)CCc1cccc(OC)c1OC)c1ccc(OC)cc1 40009868 SQUYAYSBGVRKTM-GOSISDBHSA-N 401.459 3.066 0 40 HGAB COc1ccc(Cn2ccc3nc4ncnn4c(-c4ccc(F)cc4)c3c2=O)cc1 40398321 HSFQWFYMKBCOHD-UHFFFAOYSA-N 401.401 3.302 0 40 HGAB O=C(CSc1nc2ccccc2o1)NCCn1nc(-c2cccs2)ccc1=O 42379640 CNENOSIHZBRGRM-UHFFFAOYSA-N 412.496 3.022 0 40 HGAB CC(=O)NCC1CCN(C(=O)c2c(-n3cccc3)sc3c2CCSC3)CC1 44637309 MJNSNXNYRLUMRW-UHFFFAOYSA-N 403.573 3.316 0 40 HGAB CCOC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3csc(C)n3)s2)C1 48044625 OPYVHQBCXVJKLU-GFCCVEGCSA-N 400.547 3.144 0 40 HGAB C[C@@H]1CCCCN1CCCNC(=O)c1ccc(F)cc1I 48159034 MYGOHTAMGUDKMN-GFCCVEGCSA-N 404.267 3.425 0 40 HGAB CCOc1cccc(CNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)c1 48376291 RUAQSADRQZNZJY-UHFFFAOYSA-N 402.516 3.190 0 40 HGAB Cc1ccc2c(=O)c(C(=O)Nc3ccccc3)cn(CC(=O)NC3CCCC3)c2n1 49002027 SMQVBLTUDVKOEO-UHFFFAOYSA-N 404.470 3.016 0 40 HGAB CCCOc1ccc(N2C(=O)C[C@@H](N3CCN(/C=C/c4ccccc4)CC3)C2=O)cc1 49606620 WRJYASKCAQIGLQ-MDRMPYQZSA-N 419.525 3.396 0 40 HGAB COc1ccc(CN2C(=O)N[C@](C)(c3ccco3)C2=O)c(Br)c1OC 54915824 SUAADWXYVVCWSD-QGZVFWFLSA-N 409.236 3.027 0 40 HGAB CC(C)[C@@H](c1nnnn1C[C@@H]1CCCO1)N1CCN(c2cccc(Cl)c2)CC1 57670350 PKSCXRDJJQPXCK-OALUTQOASA-N 404.946 3.025 0 40 HGAB COc1ccc(OC)c(S(=O)(=O)NCc2cccc(CN3CCC(C)CC3)c2)c1 58265098 DZSARUNBRAYAHY-UHFFFAOYSA-N 418.559 3.414 0 40 HGAB Cn1ccnc1SCC(=O)Nc1ccc(C(=O)NCCCOc2ccccc2)cc1 65568067 RRHANLFVRPIVTI-UHFFFAOYSA-N 424.526 3.350 0 40 HGAB CCN(C)C[C@H]1CCN(CC(=O)Nc2ccccc2C(=O)Nc2cccc(C)c2)C1 72305277 MFSCUYWPZBWDQR-LJQANCHMSA-N 408.546 3.459 0 40 HGAB Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](c2cccc(Nc3ccccn3)n2)C1 72376088 RFOCTEBIPXCMIN-MRXNPFEDSA-N 413.503 3.393 0 40 HGAB CC[C@H](C)C(=O)N1CCC(c2nc3c(c(=O)[nH]2)CN(CC2CCCCC2)CC3)CC1 72398932 HCCIAOJOUZNYRF-KRWDZBQOSA-N 414.594 3.460 0 40 HGAB COc1cc(C(=O)NS(=O)(=O)c2cc(Cl)ccc2Cl)cc(OC)c1C 89534624 VXYFZMWXWMBHKP-UHFFFAOYSA-N 404.271 3.438 0 40 HGAB CCN1CC[C@]2(CN(Cc3cccnc3)CC23CCN(Cc2ccc(C)o2)CC3)C1=O 96036464 KYAVASLBWTXPKB-VWLOTQADSA-N 422.573 3.320 0 40 HGAB COc1cccc(-c2ccc3nc(C4CCN(C(=O)c5cnccn5)CC4)nn3c2)c1 96038233 NCAHQBDSOYHVQE-UHFFFAOYSA-N 414.469 3.215 0 40 HGAB COc1ccc(-c2nn(CCCC(=O)N3C[C@@H](C)C[C@H](C)C3)c(=O)cc2OC)cc1 96100906 GYWKVTNEYPMLLG-IRXDYDNUSA-N 413.518 3.212 0 40 HGAB CC(C)CN1CC2(CCN(C(=O)CCc3ccccc3)CC2)[C@]2(CCN(C)C2=O)C1 96144199 BUYXUYVZOBKWHA-RUZDIDTESA-N 411.590 3.048 0 40 HGAB Cc1ccc(S(=O)(=O)Oc2cccc(N3C(=O)[C@H]4[C@H]5CC[C@@H](C5)[C@H]4C3=O)c2)cc1 100566976 JNTCXBPGPSVBAU-HZVDNRATSA-N 411.479 3.298 0 40 HGAB C[C@H](C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1-2)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 101420111 DKXDHAXHWXDIGD-ZECYFLSUSA-N 412.445 3.032 0 40 HGAB CCOC(=O)CN1C(=O)S/C(=C/c2cc(Cl)cc(Br)c2O)C1=O 111507864 CDIRNCVBODAQEH-ONNFQVAWSA-N 420.668 3.408 0 40 HGAB COC(=O)[C@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)COc1ccc(Cl)cc1 206797185 PAEFUSFSYQUCJP-NVXWUHKLSA-N 407.825 3.079 0 40 HGAB C[C@@H](NC(=O)[C@@H](c1ccccc1)N(C)S(C)(=O)=O)c1ccc2c(c1)CCCC2 223003183 FHVZHOZCYNMQLX-IIBYNOLFSA-N 400.544 3.375 0 40 HGAB CN([C@@H](C(=O)NCCOc1ccc(C(C)(C)C)cc1)c1ccccc1)S(C)(=O)=O 223659991 JJUKEHOFAWAVOG-HXUWFJFHSA-N 418.559 3.112 0 40 HGAB O=C1CCCN1Cc1ccc(CNS(=O)(=O)c2ccc(Br)cc2)cc1 223696642 NUHCVDPMXZYKFX-UHFFFAOYSA-N 423.332 3.050 0 40 HGAB COc1ccc(C(=O)NCCC(C)C)cc1CN(C)S(=O)(=O)c1ccccc1 224773607 ORSNZNQNHFJRSC-UHFFFAOYSA-N 404.532 3.292 0 40 HGAB CCCNC(=O)c1ccc(OCC)c(CN(C)S(=O)(=O)c2ccc(C)cc2)c1 224819897 AWLLQAPBFYPNNT-UHFFFAOYSA-N 404.532 3.354 0 40 HGAB O=C(Nc1ccc2sncc2c1)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 226081858 YPFSKAFWWDVQIT-ZDUSSCGKSA-N 419.503 3.475 0 40 HGAB COc1ccc(C2=NN(C3=NC(=O)[C@@H](CC(=O)O)S3)[C@H](c3ccccc3)C2)cc1 252493912 NGHDDHMVLIPUQN-ZWKOTPCHSA-N 409.467 3.319 0 40 HGAB CN(C)[C@H]1CC2(CCN(C(=O)c3ccc(-c4ccc(F)cc4)o3)CC2)OC[C@]1(C)O 257218748 DEHOHSADDPXJON-UNMCSNQZSA-N 416.493 3.162 0 40 HGAB O=C(NCc1ccc(F)c(F)c1)c1nc(-c2ccnn2CC2CC2)n2ccncc12 306140965 VHTGPINVNZKMTO-UHFFFAOYSA-N 408.412 3.211 0 40 HGAB CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@H](C)c3ccccc3)C2)cc1 408558693 SNRMSPPFLSGHKI-MJGOQNOKSA-N 416.543 3.363 0 40 HGAB COc1cc(OC)cc(C(=O)NC(=S)Nc2ccc(NC(=O)C(C)C)cc2)c1 408628239 RHTUFJKCQUYPPR-UHFFFAOYSA-N 401.488 3.425 0 40 HGAB Cc1cccc(CNC(=O)C(=O)Nc2ccccc2C(=O)NCc2cccc(C)c2)c1 408710264 VIBWCSLPVOEXOX-UHFFFAOYSA-N 415.493 3.488 0 40 HGAB COc1ccc(F)cc1S(=O)(=O)N1CCC[C@@H](C(=O)NC2CCCCCC2)C1 408713599 JBJALCUEZDFAJA-OAHLLOKOSA-N 412.527 3.074 0 40 HGAB COC(=O)CSc1nc2ccc(NC(=O)[C@@H]3CCCC[C@H]3C(=O)O)cc2s1 408748943 CVSRGXJEKGBDKU-VXGBXAGGSA-N 408.501 3.391 0 40 HGAB CCC[C@H](C)N1C[C@H]2C(=O)NC3(CCN(C(=O)Cc4ccccc4Cl)CC3)[C@H]2C1 585106342 XPEWNPHHBSSJNT-UHOSZYNNSA-N 417.981 3.110 0 40 HGAB CC(C)CCN1CC(=O)NCCCCCOc2cccc(C(=O)NC3CC3)c2C1 643575867 PTQJFDGPINFBLH-UHFFFAOYSA-N 401.551 3.106 0 40 HGAB Cc1nc(C)c(-c2ccc(N3CCN(c4cc(C(F)(F)F)ncn4)CC3)nn2)s1 1166765899 LLRDCJGXHNMAHV-UHFFFAOYSA-N 421.452 3.352 0 40 HGAB COc1ccc(CN2CCN(c3cc(-n4nc(C)cc4C)nc(C)n3)CC2)cc1F 1889205850 XRDABYVZGLXGJZ-UHFFFAOYSA-N 410.497 3.057 0 40 HGAB C[C@H]1CN(C(=O)c2c[nH]nc2C2CCC(CNC(=O)c3ccccc3)CC2)C[C@H](C)O1 2037834414 BGWBLXPSAFQIPZ-YXWAVELNSA-N 424.545 3.363 0 40 HGAB CCOc1cccc2sc(N3CCN(c4cncc(-c5cnn(C)c5)n4)CC3)nc12 2298247528 HGRBPCIFRNTIOS-UHFFFAOYSA-N 421.530 3.212 0 40 HGAB O=C(Cn1nnc(-c2ccccc2NC(=O)c2cccc(F)c2)n1)Nc1ccccc1 1361778 RIRXKFWFEOYZRX-UHFFFAOYSA-N 416.416 3.370 0 40 HGAB C[C@H](NC(=O)CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)c1ccccc1 2618596 WSJMAMCGVPNEKQ-SFHVURJKSA-N 413.477 3.359 0 40 HGAB CC1=C(C(N)=O)[C@H](c2cccs2)N2NC(SCc3ccccc3F)=NC2=N1 2718946 ZQDWXILIPIWWTQ-HNNXBMFYSA-N 401.492 3.167 0 40 HGAB CCOC(=O)c1ccc(S(=O)(=O)N[C@@H](CC(=O)O)c2ccccc2Cl)cc1 3285252 RRPHWCFWBWPEBC-INIZCTEOSA-N 411.863 3.011 0 40 HGAB O=C(NCCc1nc2ccccc2[nH]1)/C(=C/c1ccco1)NC(=O)c1ccccc1 4625197 MANXHDNDAAVTKB-HKWRFOASSA-N 400.438 3.286 0 40 HGAB CCOc1cccc([C@H]2NC(=O)N[C@@](O)(C(F)(F)F)[C@H]2C(=O)c2cccs2)c1 5047500 KDDJLVLQCHVUNJ-CPUCHLNUSA-N 414.405 3.251 0 40 HGAB CC[C@@H](C(=O)N1CCN(c2cccc(C)c2C)CC1)n1cnc2ccccc2c1=O 5322978 YJSIUQDWVGFRGX-NRFANRHFSA-N 404.514 3.313 0 40 HGAB CS(=O)(=O)N1CCCc2cc(NC(=O)c3ccc(Br)cc3)ccc21 5375457 ZPLGMUOOZGTRLB-UHFFFAOYSA-N 409.305 3.414 0 40 HGAB C[C@H]1CCCCN1C(=O)COC(=O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O 5569939 RZWSYKYVEBVLKJ-INIZCTEOSA-N 420.465 3.041 0 40 HGAB COc1ccc(CNC(=O)COc2ncnc3ccc(Br)cc23)cc1 5937530 ABFGGWQVGOBMLV-UHFFFAOYSA-N 402.248 3.096 0 40 HGAB Cc1cc(C)cc(-n2ncc3c(OCC(=O)N4CCc5ccccc5C4)ncnc32)c1 6589566 BMOAWLKJRRMJQE-UHFFFAOYSA-N 413.481 3.396 0 40 HGAB CCc1nnc2n1N[C@H](c1ccc(F)cc1)[C@H](C(=O)Nc1ccc(OC)cc1)S2 6812112 QJBYIZVYJKBILX-QZTJIDSGSA-N 413.478 3.386 0 40 HGAB COc1ccccc1NC(=O)[C@@H](C)OC(=O)C1CCN(C(=O)c2cccs2)CC1 7594868 GSYWPPFKANQFJS-CQSZACIVSA-N 416.499 3.179 0 40 HGAB CCOc1cc([C@H]2Nc3ccccc3C(=O)N2C2CC2)ccc1OCC(=O)N(C)C 7886236 HRRHWBFKEMFIPR-QFIPXVFZSA-N 409.486 3.281 0 40 HGAB COc1ccc([C@@H]2NC(=O)N(C)[C@@](O)(C(F)(F)F)[C@@H]2C(=O)c2ccccc2)cc1 7986600 NNPDITMUQOSOIH-BXWFABGCSA-N 408.376 3.141 0 40 HGAB CCCCCn1nc(C(=O)Nc2ncc(C(=O)OC)s2)c2ccccc2c1=O 7989580 GMBJXQFFDFZMTK-UHFFFAOYSA-N 400.460 3.082 0 40 HGAB COC(=O)COc1ccc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)cc1Cl 8092084 FTSHHHZSMAEUBM-UHFFFAOYSA-N 408.234 3.485 0 40 HGAB Cc1c(C(=O)N2C[C@@H](C(=O)N3CCOCC3)Oc3ccccc32)oc2ccccc12 8116450 KZVOZVWUQRDLJG-FQEVSTJZSA-N 406.438 3.008 0 40 HGAB Cn1c(N)c(CCCCCNC(=S)Nc2ccccc2)c(=O)n1-c1ccccc1 8132299 ITPCUCQPIFIDIL-UHFFFAOYSA-N 409.559 3.458 0 40 HGAB CCOc1ccccc1[C@@H]1C(C(=O)Nc2ccc(OC)cc2)=C(C)Nc2nnnn21 8739266 FJCFAAIOKZQOQY-LJQANCHMSA-N 406.446 3.008 0 40 HGAB COc1ccc(N2C(=O)NC(=O)[C@@]3(Cc4ccccc4N4CCCCC[C@@H]43)C2=O)cc1 8814926 SYOSDGZFNGWYFR-YKSBVNFPSA-N 419.481 3.270 0 40 HGAB O=c1c2ncccc2n(Cc2ccc(Cl)c(Cl)c2)c(=O)n1Cc1ccccn1 9001168 AXLHQVSALAYIPU-UHFFFAOYSA-N 413.264 3.357 0 40 HGAB C[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)Nc1ccc(Cl)cc1 10041443 KKTDZIGHHLBITR-JTQLQIEISA-N 417.712 3.408 0 40 HGAB CC[C@H](C)n1c(C)cn2c3c(=O)n(Cc4c(F)cccc4Cl)c(=O)n(C)c3nc12 10103905 NODWVOTXCHFKDW-NSHDSACASA-N 417.872 3.270 0 40 HGAB O=C(Nc1ccc2scnc2c1)C1CCN(S(=O)(=O)c2cccs2)CC1 10217659 NOASXQZYBPTTMW-UHFFFAOYSA-N 407.542 3.397 0 40 HGAB COc1ccc(C(=O)NC(=O)COC(=O)C2(c3ccc(Cl)cc3)CCC2)cc1 11387267 PFKCVPPAEIIERW-UHFFFAOYSA-N 401.846 3.270 0 40 HGAB CC(=O)Nc1ccc([C@@H](O)CN2CCC3(CC2)C[C@@H](O)c2cc(C)ccc2O3)cc1 12293405 BLNYQDPZICOFAH-YADHBBJMSA-N 410.514 3.338 0 40 HGAB COc1ccc(OC)c([C@@H]2CC(=O)Nc3c2cnn3Cc2ccc3c(c2)OCO3)c1 12419851 ZNXNGGBFWRCYIS-HNNXBMFYSA-N 407.426 3.151 0 40 HGAB CN(CC(=O)Nc1ccccc1S(C)(=O)=O)Cc1ccccc1N1CCCCC1 12527007 QRGCTASEFZITOK-UHFFFAOYSA-N 415.559 3.151 0 40 HGAB COc1ccc([C@@H](CNC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)N2CCCC2)cc1 12754327 UBOBNMYEBPJCJE-NFBKMPQASA-N 421.541 3.310 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)N(Cc3ccco3)C3CC3)CC2)cc1 12910989 JKEICEPZWABYIA-UHFFFAOYSA-N 402.516 3.180 0 40 HGAB O=C(CCCNC(=O)c1ccsc1)NCC(=O)Nc1cc(Cl)ccc1Cl 12926619 ZGWWQWFRMPULPY-UHFFFAOYSA-N 414.314 3.320 0 40 HGAB C[C@H](Sc1ccc(Cl)cc1)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 13008823 YOXMGMISAIUOOD-HNNXBMFYSA-N 424.975 3.354 0 40 HGAB COc1ccc(F)cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2cc(C)cc(C)c2)C1 13580621 NIVZJLAFIZBBJW-MRXNPFEDSA-N 420.506 3.491 0 40 HGAB COc1cccc(NC(=O)[C@H](C)OC(=O)[C@@H](C)NC(=O)c2ccccc2Cl)c1 14240938 PRPLHOIDVFLASV-OLZOCXBDSA-N 404.850 3.037 0 40 HGAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(F)cc2)cc1Cl 16692657 UQWBPMLPXKQKNO-UHFFFAOYSA-N 400.859 3.137 0 40 HGAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)CC(=O)NCCc1c[nH]c2ccccc12 16695538 NULPNNGKLGLRIH-KRWDZBQOSA-N 402.502 3.100 0 40 HGAB CCOC(=O)CCCCC(=O)c1[nH]c(=O)[nH]c1CSc1nc2ccccc2[nH]1 18094205 HRCGOBVLZLYNFI-UHFFFAOYSA-N 402.476 3.178 0 40 HGAB COc1ccc(CN2CCc3c(O)nc([C@@H]4CCN(C(=O)C(C)(C)C)C4)nc3C2)cc1 19081057 BKXHXTIWEHNAFO-QGZVFWFLSA-N 424.545 3.111 0 40 HGAB O=C1CCCC[C@]2(CN(Cc3ccccc3-n3cccn3)C[C@H]2c2ccccn2)N1 19349457 VFJDERJAFHWVGK-GBXCKJPGSA-N 401.514 3.296 0 40 HGAB COc1ccc(CN2CCC(O)(Cn3cnc4sc(C)c(C)c4c3=O)CC2)cc1 19561549 JGTOALNNGOBMAN-UHFFFAOYSA-N 413.543 3.111 0 40 HGAB CN(CCc1ccccc1)c1nc([C@@H]2CC(=O)N(c3ccc(F)cc3)C2)cc(=O)[nH]1 19586233 SFRLJTPHXQWCFW-QGZVFWFLSA-N 406.461 3.108 0 40 HGAB COCCNc1nc(-c2ccccn2)nc2c1CN(Cc1ccc(OC)cc1)CC2 19593590 MSKXTNXVHQQWCP-UHFFFAOYSA-N 405.502 3.164 0 40 HGAB O=C1C[C@H](c2cccc(Cl)c2)[C@@H](n2cncn2)C(=O)[C@@H]1[C@@H]1NCCc2ccccc21 20218668 YACGSFQFKLDZPH-FVTFTPSCSA-N 420.900 3.302 0 40 HGAB CC[C@@H](NC(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O)c1ccc(C)cc1 20481304 JAAQEKMHCIITPM-GOSISDBHSA-N 420.531 3.046 0 40 HGAB O=C(N1CCN(c2ccc(NC(=O)C(Cl)(Cl)Cl)cc2)CC1)C(F)(F)F 20528589 PPKJSTGPSBNERM-UHFFFAOYSA-N 418.630 3.206 0 40 HGAB COC(=O)/C=C/c1ccc(OC(=O)C[C@@H](NC(C)=O)c2ccc(C)cc2)c(OC)c1 22764940 RZVXURFHADATPG-YRVHBARZSA-N 411.454 3.363 0 40 HGAB CCOc1ccc(/C=c2\sc3nc(/C=C/c4ccccc4)nn3c2=O)cc1OC 27021627 ILFQSVHTVUQWFV-LBUQAHFMSA-N 405.479 3.276 0 40 HGAB O=C(c1cc(-c2ccccc2)on1)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 27794027 UOWBJHOYOVHBEJ-HNNXBMFYSA-N 402.497 3.233 0 40 HGAB Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)OC(=O)c1cc2c(s1)CCC2 39514624 OBBYAIAMEPPTGY-CQSZACIVSA-N 400.500 3.154 0 40 HGAB Cc1ccc([C@@H](C)NC(=O)CCCN(c2ccc3c(c2)OCO3)S(C)(=O)=O)cc1 44846590 LRZFLUXIAIMIOA-MRXNPFEDSA-N 418.515 3.147 0 40 HGAB COC(=O)c1ccc(Cl)cc1NC(=O)Cn1c(SC)nc2ccsc2c1=O 57505214 QIPBPAFYUZSMSF-UHFFFAOYSA-N 423.903 3.259 0 40 HGAB Cc1ccc(CN([C@H]2CCc3ccccc32)S(=O)(=O)c2cc(C(N)=O)n(C)c2)cc1 58004738 ZBTVFGZKJNAIGE-NRFANRHFSA-N 423.538 3.311 0 40 HGAB O=C(COc1ccccc1)N1CCC(c2nc(-c3ccc4c(c3)OCO4)no2)CC1 67205893 CVFNQJCYVFWYTC-UHFFFAOYSA-N 407.426 3.250 0 40 HGAB O=S(=O)(N1CCCCC1)N1CCC2(CC1)C[C@H]2c1nnc(-c2ccccc2)o1 71889715 JCOGTSYQBSWYMO-KRWDZBQOSA-N 402.520 3.037 0 40 HGAB O=C(COc1ccc(Cl)c(Cl)c1)NCCCC1(C2OCCO2)CCOCC1 72297914 ANEHWWJETGCZBJ-UHFFFAOYSA-N 418.317 3.438 0 40 HGAB Cc1cc(C)n(-c2cccc(C(=O)N[C@H](Cn3nc(C4CC4)ccc3=O)C(C)C)c2)n1 72324213 RAWDCLIAPISASN-JOCHJYFZSA-N 419.529 3.378 0 40 HGAB C[C@H](Cc1ccc2c(c1)OCO2)CN1CCc2nc(-c3ccncc3)nc(O)c2C1 72339816 STTZFGNGQQJLRS-OAHLLOKOSA-N 404.470 3.210 0 40 HGAB CCOc1ccccc1OCCCC(=O)NCCN1CCN(c2ccccc2)CC1 89272449 IFDWYQVRXMETCC-UHFFFAOYSA-N 411.546 3.183 0 40 HGAB CC(C)OC(=O)c1c(NS(=O)(=O)c2cn(C)c(Cl)n2)sc2c1CCCC2 95995731 NDPHKUFPEZFFGF-UHFFFAOYSA-N 417.940 3.380 0 40 HGAB CC(=O)Nc1c[nH]nc1[C@@H]1CCCN(C(=O)Cc2ccccc2Br)C1 95998633 OSXIGSRYHTWEGT-CQSZACIVSA-N 405.296 3.079 0 40 HGAB Cc1cc(NS(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)ccc1N1CCCC1=O 96098371 DWOVYYNWPMDRHE-BTYIYWSLSA-N 404.532 3.259 0 40 HGAB O=S(=O)(N[C@@H]1CCN(c2ccc(C(F)(F)F)cn2)C1)c1ccc(F)c(Cl)c1 206791126 NIOVIELODGWYCI-LLVKDONJSA-N 423.819 3.450 0 40 HGAB COC(=O)c1cn(C(=O)CN(c2ccccc2Cl)S(C)(=O)=O)c2ccccc12 222581153 DPFYKMWIQWJRMI-UHFFFAOYSA-N 420.874 3.188 0 40 HGAB CCCC(=O)N(Cc1ccc(OC)cc1)[C@@H](Cc1ccccc1)C(=O)NCCOC 223267230 WIPDGBPHJYHPPA-QFIPXVFZSA-N 412.530 3.198 0 40 HGAB COc1ccc(OC)c(S(=O)(=O)Nc2cc(C(=O)OC(C)C)ccc2OC)c1 223677982 BHRRALBRVJHEMX-UHFFFAOYSA-N 409.460 3.078 0 40 HGAB CS(=O)(=O)Nc1ccc(C(=O)NCCOc2ccc(Cl)cc2)cc1Cl 224411856 INGCJYDUHSSANP-UHFFFAOYSA-N 403.287 3.174 0 40 HGAB CCc1ccc([C@@H](C)NC(=O)[C@@H](C)N(c2cccc(OC)c2)S(C)(=O)=O)cc1 225817457 XVEXZWHFRZUXTQ-HZPDHXFCSA-N 404.532 3.290 0 40 HGAB Cc1cc(N2CCOCC2)nc(NC(=S)NCc2ccc(-c3ccccc3)o2)n1 225919136 UWKCVHXCPQHOON-UHFFFAOYSA-N 409.515 3.368 0 40 HGAB CO[C@@H]1CN(CC(=O)Nc2ncc(Cc3ccc(F)cc3)s2)CC[C@]12CCCO2 257229936 GABWMHINMSGXNI-WIYYLYMNSA-N 419.522 3.081 0 40 HGAB CCn1cc(C(=O)N2CCC(COc3cccc(Cl)c3)(CC(N)=O)CC2)c(C)n1 257277757 NZFNHGURYBNGDX-UHFFFAOYSA-N 418.925 3.042 0 40 HGAB Cc1cccc(C(=O)N2CCC3(CC2)CN(C)Cc2nnc(-c4ccc(F)cc4)n23)c1 306131713 KNPKCJBLNKOARM-UHFFFAOYSA-N 419.504 3.470 0 40 HGAB COCCN1CC[C@@]2(c3ccccc3)CCN(C(=O)c3ccc(OC)cc3)[C@@H]2CC1=O 306134023 NCAYIOCILMELLC-RDGATRHJSA-N 422.525 3.117 0 40 HGAB COc1ncccc1CN1CCN(C)[C@H](c2nnn3cc(-c4ccsc4)ccc23)C1 306140693 VBAGWVQTPOCFKT-FQEVSTJZSA-N 420.542 3.350 0 40 HGAB COc1ccc2c(c1C)CC[C@@H]([C@@]1(O)C(=O)Nc3ccc(Br)cc31)C2=O 408569393 WJXVAEMABCWXGZ-VLIAUNLRSA-N 416.271 3.351 0 40 HGAB COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)C(=O)Nc1cccc(SC)c1 408620289 JBBPSEQSHPKDFE-NSHDSACASA-N 414.936 3.376 0 40 HGAB CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(OCC)c(NC(=O)CC)c2)cc1 408697667 KUMULSHZWMCOTP-UHFFFAOYSA-N 420.487 3.411 0 40 HGAB O=C(c1ccc(Br)cc1)N1N=C(c2cccnc2)C[C@]1(O)C(F)(F)F 408751560 YHXKABVAHNCLFL-HNNXBMFYSA-N 414.181 3.345 0 40 HGAB Cc1ccc(C(=O)N2CCC(C(=O)N3CCN(c4ccc(F)cc4)CC3)CC2)cc1 409016461 JDSBXDUJXBVFKF-UHFFFAOYSA-N 409.505 3.335 0 40 HGAB COc1cc(/C=C2/NC(=O)N(C)C2=O)cc(Cl)c1OCc1cccc(C(=O)O)c1 409192965 GOSPZGYUPDRMDG-OVCLIPMQSA-N 416.817 3.148 0 40 HGAB Cc1c([C@H](C)NCc2cccc(CS(C)(=O)=O)c2)nnn1-c1ccc(F)cc1 531708751 TVVUAZZVYNWIDG-AWEZNQCLSA-N 402.495 3.110 0 40 HGAB Cn1ncc(N2CCC(c3noc4cc(F)ccc34)CC2)c(Br)c1=O 569058078 CUXUECVNNAIHED-UHFFFAOYSA-N 407.243 3.207 0 40 HGAB O=C(c1ccc2cc[nH]c2c1)N1CCC(Cn2nc(-c3ccncc3)ccc2=O)CC1 585500655 MHBGKVIQBKXKAN-UHFFFAOYSA-N 413.481 3.339 0 40 HGAB CSCC[C@H](NC(=O)COc1ccccc1-n1cnnc1)c1nc2ccccc2[nH]1 604418495 DMSOVFFFCBPZRX-KRWDZBQOSA-N 422.514 3.133 0 40 HGAB Cc1cc(C)n2nc(C(=O)N3CCC(c4ccc5cc(Cl)cnc5n4)CC3)nc2n1 1891358479 YECHLULCYOJFAL-UHFFFAOYSA-N 421.892 3.358 0 40 HGAB CCn1nc(C)c(CN2CCC[C@]3(CC2)CN(c2cccc(F)c2)C(=O)CO3)c1C 2037989022 RSWFQLQQSVZVIM-QHCPKHFHSA-N 414.525 3.447 0 40 HGAB O=C(Nc1ccc(I)cc1)[C@@H]1CC(=O)N(C2CCCCC2)C1 834636 BRLWNQDQODRALI-GFCCVEGCSA-N 412.271 3.411 0 40 HGAB COc1ccc(NC(=O)C[C@@H]2C(=O)N(C)C(=S)N2Cc2ccc(Cl)cc2)cc1 1307737 JZOJBZWVZQHKSR-QGZVFWFLSA-N 417.918 3.305 0 40 HGAB Cn1c(=O)c2c(nc(Oc3ccc(Cl)cc3)n2Cc2ccccc2F)n(C)c1=O 1425463 PNCGFYGETUVBGG-UHFFFAOYSA-N 414.824 3.067 0 40 HGAB biogenic COc1ccc([C@@H]2Nc3ccccc3C(=O)N2NS(=O)(=O)c2ccccc2)cc1 1441635 DZNWJLRKOLMYFS-HXUWFJFHSA-N 409.467 3.155 0 40 HGAB Cc1cc(OCC(=O)N[C@H](C(=O)O)c2ccccc2)c2c3c(c(=O)oc2c1)CCCC3 2099515 WYMJMBGTMYQTNC-QFIPXVFZSA-N 421.449 3.301 0 40 HGAB biogenic COCCOC(=O)c1c(C)n(C)c2ccc(OC(=O)c3ccc4c(c3)OCO4)cc12 2353184 UAXVJHDNRXDDTR-UHFFFAOYSA-N 411.410 3.238 0 40 HGAB biogenic COC(=O)c1[nH]c2cc(OC)ccc2c1NC(=O)CCN1CCc2ccccc2C1 2385605 HBHNHGKOBGIWJS-UHFFFAOYSA-N 407.470 3.350 0 40 HGAB Cc1noc(C)c1S(=O)(=O)Nc1cnn(Cc2ccc(Br)cc2)c1 2791064 YTRRFROJKBPJJL-UHFFFAOYSA-N 411.281 3.100 0 40 HGAB CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc2c(c1)OCCO2 3395988 ZIYBWVHYRIBJPN-UHFFFAOYSA-N 414.277 3.420 0 40 HGAB CCn1c(SCC(=O)NCc2ccc(OC)cc2)nnc1-c1ccccc1OC 3401465 AOECMIAUEYXECC-UHFFFAOYSA-N 412.515 3.391 0 40 HGAB O=C(c1cccc(Br)c1)N1N=C(C(F)(F)F)C[C@@]1(O)C(F)(F)F 4143241 PRSXTZUCPXNACB-SNVBAGLBSA-N 405.092 3.464 0 40 HGAB CC(C)CCn1c(=O)c2c(nc3n2C[C@H](C)CN3c2ccc(Cl)cc2)n(C)c1=O 4249280 KALMGYRXKVUFKM-CQSZACIVSA-N 415.925 3.384 0 40 HGAB COC(=O)c1ccc(C(=O)N(CCN(C)C)c2nc3c(F)cccc3s2)cc1 4359286 ACTPDZOAJFOWRL-UHFFFAOYSA-N 401.463 3.430 0 40 HGAB COc1ccc(-c2n[nH]c(SCC(=O)Nc3cc(OC)ccc3OC)n2)cc1 4816164 ORRRXURWMPPQNU-UHFFFAOYSA-N 400.460 3.228 0 40 HGAB CCOc1ccc(N2C[C@@H](NC(=O)c3ccc(Br)cc3)CC2=O)cc1 5195890 OOPHWMXFJYEUGD-HNNXBMFYSA-N 403.276 3.383 0 40 HGAB Cc1c(CC(=O)NC2CCN(Cc3ccccc3)CC2)c(=O)oc2cc(O)ccc12 5269059 QJPDIUPMSYVJNB-UHFFFAOYSA-N 406.482 3.130 0 40 HGAB CC[C@@]1(c2ccc(OC)cc2)NC(=O)N(Cc2cc(Cl)c3c(c2)OCCO3)C1=O 5320928 GIUPEQOCDCPTMX-NRFANRHFSA-N 416.861 3.477 0 40 HGAB CCOc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc3c(c2)OCCO3)cc1OC 5837874 GCDLUPOJDJSTCX-ZDUSSCGKSA-N 401.415 3.049 0 40 HGAB Cc1ccc(-n2c(SCC(=O)NCc3ccco3)nc3ccccc3c2=O)nc1 6107267 GNMNLIBGRDPVSK-UHFFFAOYSA-N 406.467 3.091 0 40 HGAB C[C@H](NC(=O)CCCCC(=O)N[C@H](C)[C@@H](O)c1ccccc1)[C@H](O)c1ccccc1 6468927 QMYJLCSSUSXHJC-LYWNTADJSA-N 412.530 3.023 0 40 HGAB Cc1ccc(N(CC(=O)NCCCOC(C)C)S(=O)(=O)c2ccc(C)cc2)cc1 6476608 LPLIQCDEAQOMBD-UHFFFAOYSA-N 418.559 3.430 0 40 HGAB CCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(OC)c(Cl)c2)cc1 6880457 FUKGXIJPKGHIEB-UHFFFAOYSA-N 412.895 3.054 0 40 HGAB Cc1cc(C(=O)OCC(=O)NCc2ccc3c(c2)OCO3)c(C)n1Cc1ccccc1 7575061 YKYPGEMBBSECLJ-UHFFFAOYSA-N 420.465 3.355 0 40 HGAB COc1cccc(/C=C/C(=O)N(Cc2nc3ccccc3c(=O)[nH]2)C[C@@H]2CCCO2)c1 7671624 GMYGTHMOZUTXMW-CVTTXWKISA-N 419.481 3.153 0 40 HGAB COC(=O)c1ccc(/C=C/C(=O)Nc2ccccc2C(=O)NCC(F)(F)F)cc1 7696897 WCNQWWQVOLTIIY-DHZHZOJOSA-N 406.360 3.417 0 40 HGAB COc1ccc(Cl)cc1C(=O)OCC(=O)N(C)CC(=O)Nc1c(C)cccc1C 7732120 UMSIQCNLSVSINB-UHFFFAOYSA-N 418.877 3.219 0 40 HGAB C[C@@H]1O[C@H](C)CN2c3ccccc3C[C@@]3(C(=O)N(c4ccccc4)C(=O)N=C3O)[C@H]12 9087906 AAXHHKHQORLYBE-YBYFIDKVSA-N 405.454 3.335 0 40 HGAB CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)N(Cc2ccc(OC)cc2)C2CC2)C1=O 9594129 FIXJEJVDOFCJLY-XMMPIXPASA-N 421.497 3.044 0 40 HGAB Cc1ccc(C(=O)NCCCN2CCCCC2)cc1S(=O)(=O)N1CCCCCC1 10279318 XJRULRMNJXWUPE-UHFFFAOYSA-N 421.607 3.166 0 40 HGAB COc1cccc(NC(=O)CSc2nnnn2-c2ccccc2C(F)(F)F)c1 10382165 NTAQKIZOJKYMKF-UHFFFAOYSA-N 409.393 3.421 0 40 HGAB CCOc1cc([C@H]2C(C(N)=O)=C(C)N=C3N=C(C)NN32)ccc1OCc1ccccc1 10434295 PNCTZPIGAMSBFF-NRFANRHFSA-N 419.485 3.073 0 40 HGAB Cc1nc(C)c(C(=O)N(C[C@H]2CCCO2)c2nc3c(s2)CCc2c-3cnn2C)o1 12146121 SZVWBDXJGMUKST-CYBMUJFWSA-N 413.503 3.073 0 40 HGAB CC(=O)N1c2ccc([C@H](O)CN3CCC(O)(c4ccccc4C)CC3)cc2C[C@H]1C 12146839 KLVMYAZBIBJBJQ-HOYKHHGWSA-N 408.542 3.310 0 40 HGAB COc1ccccc1CC(=O)N1CCC[C@@H](c2nc3ccc(F)cc3cc2C(N)=O)C1 12255490 YQIYCSNDVJDTDT-MRXNPFEDSA-N 421.472 3.430 0 40 HGAB CCOC(=O)[C@@]12CC=CCN(C(=O)[C@H](C)Sc3nc(C)cc(C)n3)[C@@H]1CCC2 12275329 SIGTZPNRZHEATQ-CSODHUTKSA-N 403.548 3.465 0 40 HGAB CCc1cc(C(F)(F)F)n2nc(C3CCN(C(=O)c4nonc4C)CC3)cc2n1 12276606 XWRABBJAJFVTSB-UHFFFAOYSA-N 408.384 3.022 0 40 HGAB COc1ccccc1CNC(=O)CNC(=O)c1ccc2nc(-n3cccc3)sc2c1 12409529 GLXVORDLOHTMCX-UHFFFAOYSA-N 420.494 3.142 0 40 HGAB CCCc1cc(=O)[nH]c(SCc2nc(-c3cc(OC)c(OC)c(OC)c3)no2)n1 12415732 VEHUOYFSHQSKEX-UHFFFAOYSA-N 418.475 3.091 0 40 HGAB CCCCC(=O)N[C@@]1(C(F)(F)F)C(=O)N(C2CCCCC2)C(C)=C1C(=O)OC 12419566 HWOMLEZUIJAFMY-GOSISDBHSA-N 404.429 3.216 0 40 HGAB Cn1c(CNC(=O)c2ccccc2SCC(=O)N2CCCC2)nc2ccccc21 12547590 YOHXNXVDWOYUMO-UHFFFAOYSA-N 408.527 3.218 0 40 HGAB Cc1cc2nc([C@H]3CCCN(Cc4ccc(N5CCCC5=O)cc4)C3)cc(N)n2n1 12667750 KCEQDMQTOCEWLE-SFHVURJKSA-N 404.518 3.126 0 40 HGAB CCCc1ccc([C@@]2(C)NC(=O)N(CC(=O)N[C@H](C)c3ccccc3OC)C2=O)cc1 12758972 RCHMUZLNWJUEEM-VOIUYBSRSA-N 423.513 3.292 0 40 HGAB COc1ccc(Cl)cc1NC(=O)CN1CCC(C(=O)N2CCCCCC2)CC1 12822369 DVGVPPBNQQHNIF-UHFFFAOYSA-N 407.942 3.402 0 40 HGAB Cc1cc(C)c(NC(=O)[C@H](C)OC(=O)c2ccc(=O)n(Cc3ccccc3)n2)c(C)c1 12869346 IADWRIJYWHYDAS-SFHVURJKSA-N 419.481 3.401 0 40 HGAB CC[C@@H](CNC(=O)c1cc(S(N)(=O)=O)ccc1Br)c1ccccc1 13003453 DOKSGVIRDHQLGI-LBPRGKRZSA-N 411.321 3.020 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCc3cccs3)CC2)cc1C 13008768 IVMAUKAQVPLBJO-UHFFFAOYSA-N 406.573 3.125 0 40 HGAB COc1ccc2nc(SCC(=O)Nc3nc(C)c4c(n3)CCCC4=O)nc(C)c2c1 13635927 ZOMYSKVUTTVRTO-UHFFFAOYSA-N 423.498 3.295 0 40 HGAB COCCCN(Cc1cc(=O)[nH]c2ccccc12)C(=S)Nc1cccc2nonc12 13684015 OLBPKDNWDFUUKG-UHFFFAOYSA-N 423.498 3.300 0 40 HGAB CC[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)N(c1ccc(F)cc1)S(C)(=O)=O 13715844 ZCQYJLGGZPLATD-IXYLRAAXSA-N 408.539 3.455 0 40 HGAB COCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)cs/c1=N\c1ccccc1 13778571 UWMVUYLIYKIAED-MRCUWXFGSA-N 417.556 3.346 0 40 HGAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H](C)c2ccccc2)cc1Cl 16692479 NOUHVMBIPKXUMD-CQSZACIVSA-N 410.923 3.237 0 40 HGAB Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1C(=O)C(=O)N1C[C@H](C)O[C@H](C)C1 17327796 ATNQQAQVMHDCED-TXEJJXNPSA-N 409.408 3.326 0 40 HGAB CC(=O)Nc1ccc(CN2CCC(c3nc(-c4nccs4)cc(=O)[nH]3)CC2)cc1 19022448 BNBMBUPYYJTNJN-UHFFFAOYSA-N 409.515 3.231 0 40 HGAB COc1ccc(CCC(=O)N2CCC[C@H]2c2nc(-c3cccnc3)cc(=O)[nH]2)cc1 19554537 SOEUMIMLGPTGKT-FQEVSTJZSA-N 404.470 3.137 0 40 HGAB COc1ccc(CNC(=O)CN2C(=O)N3CCCN=C3c3ccc(Cl)cc32)cc1 19555744 YLQBMDFFNMIZNO-UHFFFAOYSA-N 412.877 3.057 0 40 HGAB COC(C)(C)C(=O)N1CCO[C@@H](c2c(C(=O)NC(C)C)sc3ccccc23)C1 19697706 XINDRFBNUPLENS-OAHLLOKOSA-N 404.532 3.364 0 40 HGAB O=S(=O)(Cc1ccc(Cl)c(Cl)c1)N1CCCN(Cc2ccccn2)CC1 19715521 FKZASTCWFHWUNA-UHFFFAOYSA-N 414.358 3.426 0 40 HGAB CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@H](C)c2ccc(OC)cc2)ccc1OC 20025075 DKVQSERAWBGKRU-OAHLLOKOSA-N 420.531 3.225 0 40 HGAB CCOC(=O)[C@H]1C(=O)N=C(N2CCc3ccccc3C2)N[C@H]1c1ccc(Cl)cc1 20636722 BTTVJVNEYUYKJL-MOPGFXCFSA-N 411.889 3.105 0 40 HGAB COc1ccc(C2(C(=O)N3CCN(Cc4ccccc4)CC3)CCOCC2)cc1OC 20745452 RZFIVGLQXNEWAG-UHFFFAOYSA-N 424.541 3.096 0 40 HGAB CCc1ccccc1NC(=O)c1cc(OC)c(OC)cc1N(C)S(=O)(=O)CC 22252634 HIFYDUDHCVADKV-UHFFFAOYSA-N 406.504 3.304 0 40 HGAB Cc1ccc([C@H](CNC(=O)COc2ccc(Cl)cc2)N2CCN(C)CC2)cc1 22582400 PUPYQSASKOGHAN-NRFANRHFSA-N 401.938 3.132 0 40 HGAB Cc1nc2sc([C@@H](c3cccc(Br)c3)N3CCC(O)CC3)c(O)n2n1 22627605 WUBUQECRZWESAL-CQSZACIVSA-N 423.336 3.113 0 40 HGAB O=C(Nc1ccccc1O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1F 23075009 UDKUMRPTPMOWJQ-SFHVURJKSA-N 414.458 3.060 0 40 HGAB COc1cc(C(C)=O)ccc1OCC(=O)NCCOc1cccc(C(F)(F)F)c1 23142557 QBKANWMDTFTESW-UHFFFAOYSA-N 411.376 3.491 0 40 HGAB COc1cc(NC(=O)CSc2nc3nc(C)cc(C)n3n2)c(OC)cc1Cl 24771897 SKKBJYPYJGTYDH-UHFFFAOYSA-N 407.883 3.143 0 40 HGAB O=C([C@H]1CN(Cc2ccc(C(F)(F)F)cc2)c2ccccc2O1)N1CCOCC1 27374477 PBMNDWQKNHVOII-LJQANCHMSA-N 406.404 3.332 0 40 HGAB CCn1c(=O)[nH]c(=O)c2c(C(=O)Nc3ccccc3N3CCCC3)cc(C(C)C)nc21 29829937 VZJLEYAJJVJFDJ-UHFFFAOYSA-N 421.501 3.081 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)[C@@H](C)Oc1ccc(F)cc1 30868351 SCUOWMCKLDPFRB-CQSZACIVSA-N 422.478 3.025 0 40 HGAB COc1ccc([C@H]2c3cc4c(cc3O[C@H](N3CCOCC3)[C@@H]2C)OCO4)c(OC)c1 31860800 NJSSNAKBDXXDTB-ILFDSTAHSA-N 413.470 3.251 0 40 HGAB CCS(=O)(=O)N1N=C(c2ccc(F)cc2OC)C[C@@H]1c1ccc2nccnc2c1 32608429 SBCNLBWMPUQRNU-LJQANCHMSA-N 414.462 3.278 0 40 HGAB CC(C)c1ccc(NC(=O)COc2ccc(CC[C@@]3(C)NC(=O)NC3=O)cc2)cc1 32724531 IWULHPAPBBDRAM-HSZRJFAPSA-N 409.486 3.358 0 40 HGAB Cc1ccc(C)c([C@@H](C)NC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)c1 32863058 NCKJBANUKDRZLI-LJQANCHMSA-N 415.559 3.222 0 40 HGAB Cc1c(C)c(C)c(S(=O)(=O)Nc2cccc([C@@]3(C)NC(=O)NC3=O)c2)c(C)c1C 32935275 KLJIOVRPTZWSIP-OAQYLSRUSA-N 415.515 3.084 0 40 HGAB Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)OCc2c(F)c(F)c(F)c(F)c2F)cc1 32947409 RNCXIXHKBFTHLR-SECBINFHSA-N 423.359 3.101 0 40 HGAB Cc1cccc(CN2CCC(C(=O)Nc3ccccc3C(=O)N3CCOCC3)CC2)c1 39752919 DJDUCTXHZDHWTP-UHFFFAOYSA-N 421.541 3.318 0 40 HGAB COc1ccc(-c2nnc(NC(=O)c3ccc(NC(=O)C(F)(F)F)cc3)o2)cc1 39767021 SCMUBQPTXHYOFU-UHFFFAOYSA-N 406.320 3.498 0 40 HGAB Cc1noc(C)c1CC(=O)N[C@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 40107801 VQKGNUNNVKAHGM-QGZVFWFLSA-N 409.408 3.333 0 40 HGAB CC1(C)NC(=O)N(CCC(=O)N[C@@H](c2ccc(Cl)cc2)c2cccs2)C1=O 40122621 IHSZJYNOCVGBAX-INIZCTEOSA-N 405.907 3.328 0 40 HGAB COc1ccc(N2C[C@@H](C(=O)NCc3cccc(Br)c3)CC2=O)cc1 57416359 GAGXZVLUDIJVIH-AWEZNQCLSA-N 403.276 3.127 0 40 HGAB C[C@@H](CNC(=O)NC[C@H]1CCN(c2ccc(F)cc2)C1)N1CCc2ccccc2C1 58415924 JBJMMQAHGMGAEP-RBUKOAKNSA-N 410.537 3.398 0 40 HGAB COc1cc(NC(=O)c2ccc3c(c2)C(=O)N(C2CC2)C3=O)c(OC)cc1Cl 58430528 AXUFJBOCLJGFPA-UHFFFAOYSA-N 400.818 3.368 0 40 HGAB C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N1CCC(CN(C)Cc2ccccc2)CC1 60377484 BFMPROPBLIXKCV-KRWDZBQOSA-N 421.545 3.027 0 40 HGAB Cc1cc2nc(SCC(=O)NCc3ccccc3F)n(CC(C)C)c(=O)c2[nH]1 67319732 KASPSDUDRSGAIL-UHFFFAOYSA-N 402.495 3.237 0 40 HGAB O=C(O)c1ccc(S(=O)(=O)Nc2ccccc2-n2cc(Br)cn2)cc1 71976241 SOGGRIFCJYQHNP-UHFFFAOYSA-N 422.260 3.134 0 40 HGAB COC(=O)Nc1ccccc1OCC(=O)Nc1ccc(N2C[C@H](C)O[C@H](C)C2)cc1 72311132 WFAJZUXVTCHVNZ-IYBDPMFKSA-N 413.474 3.496 0 40 HGAB Cc1cnc(C(=O)N2CC[C@@H](c3cc(CCOc4cccc(Cl)c4)[nH]n3)C2)cn1 72371416 KVPCBHVDNRYJNB-OAHLLOKOSA-N 411.893 3.413 0 40 HGAB CCn1cc(S(=O)(=O)N2CCC[C@H]2c2cccc(Nc3ccccn3)n2)c(C)n1 72375590 NUAFDKHQDYWSEQ-KRWDZBQOSA-N 412.519 3.271 0 40 HGAB CC(=O)N1CCN(Cc2cccc(NC(=O)[C@H]3CCC[C@@H](C(F)(F)F)C3)n2)CC1 95444945 XRONVSUTYADNGH-JKSUJKDBSA-N 412.456 3.053 0 40 HGAB O=C(NCc1ccccc1)c1cccc(NC(=O)N2CCN(c3ccccn3)CC2)c1 95476094 ULUMNMRSIPCAKJ-UHFFFAOYSA-N 415.497 3.366 0 40 HGAB O=C(NCc1nc2ccccc2[nH]1)c1ccc(Cl)c(N2CCCCS2(=O)=O)c1 96118023 YTPPJIJXKGVECV-UHFFFAOYSA-N 418.906 3.076 0 40 HGAB COCCO[C@@H]1CCN(S(=O)(=O)c2ccc(F)c(F)c2)[C@H]1Cc1ccccc1 96261308 HAJHKMOSZYFZGD-VQTJNVASSA-N 411.470 3.002 0 40 HGAB Cc1ccc(N2C(=O)C[C@@H](N3CCC(C(N)=O)(C4CCCCC4)CC3)C2=O)c(C)c1 102959330 MVOXWOUUVQMNSL-HXUWFJFHSA-N 411.546 3.083 0 40 HGAB CN1CC2(CCN(Cc3ccccc3F)CC2)COc2ccccc2S1(=O)=O 105041387 QWTNTTMKSNKGMR-UHFFFAOYSA-N 404.507 3.121 0 40 HGAB COc1ccc([C@@H](C)NC(=O)[C@@H](C)N(c2cc(C)ccc2OC)S(C)(=O)=O)cc1 220346921 TWVSNPGFGLVWDY-HZPDHXFCSA-N 420.531 3.044 0 40 HGAB C[C@H](NC(=O)CN(c1cccc(F)c1)S(C)(=O)=O)c1ccc2c(c1)CCCC2 222927538 RRPCYVANQGZTBP-HNNXBMFYSA-N 404.507 3.348 0 40 HGAB CC[C@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)COc1ccccc1OC 223106850 IWOXADROGKWFGB-QGZVFWFLSA-N 404.894 3.281 0 40 HGAB COCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(C)=O 223119019 OPUSQIAFRIFJJS-OAQYLSRUSA-N 402.922 3.453 0 40 HGAB CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCc1ccccc1Cl 223151139 FELZDARJEHWEJG-SFHVURJKSA-N 410.923 3.210 0 40 HGAB CCC1(CC)C[C@@H](NC(=O)C2CCN(S(=O)(=O)CC)CC2)c2ccccc2O1 223208200 AUIKPBOMCDWTAD-GOSISDBHSA-N 408.564 3.247 0 40 HGAB CS(=O)(=O)N(Cc1ccc(C(=O)NCCOc2ccccc2)cc1)c1ccccc1 223796238 VOLOCKZZHQNXEO-UHFFFAOYSA-N 424.522 3.462 0 40 HGAB COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2C(C)C)cc1OC 224224094 PTLVIYOADHEHBZ-UHFFFAOYSA-N 406.504 3.086 0 40 HGAB CCOC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1Cl 224904284 UKCWLRXQXMXRQI-UHFFFAOYSA-N 410.879 3.300 0 40 HGAB CC(C)(Cc1ccccc1)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 225543528 QQBYPDRGKWJVQF-SFHVURJKSA-N 418.534 3.364 0 40 HGAB O=C(NCc1cccc2ccccc12)N[C@H](CN1C(=O)COC1=O)c1ccccc1 225637964 UTKYTORFYKUBEK-HXUWFJFHSA-N 403.438 3.359 0 40 HGAB O=C(NC1CCN(c2ncnc3c2CCCC3)CC1)c1cc(O)nc2ccccc12 225736451 GNZYQLNKCXJTQS-UHFFFAOYSA-N 403.486 3.008 0 40 HGAB COc1cc(Sc2ncccn2)nc(NC(=S)NCCCc2ccccc2)n1 225964461 ZZVKVFULJYCJHV-UHFFFAOYSA-N 412.544 3.346 0 40 HGAB CCc1nccn1-c1cccc([C@H]2CCCN2C(=O)CCN(C)Cc2cccnc2)n1 257216203 CTNVSXKSCBBIKW-OAQYLSRUSA-N 418.545 3.410 0 40 HGAB C[C@@H]1CCC[C@@H](C)N1CCNC(=O)[C@@H]1C[C@H]2CC[C@H]1C[C@@]21NC(=O)c2ccccc2N1 257255906 KJJQGAVGEXSPLV-FRRQQKHFSA-N 424.589 3.354 0 40 HGAB CCN(C(=O)CN1CC[C@H](Oc2cccc(F)c2)[C@@](C)(O)C1)c1cccc(C)c1 257297609 RIBLSYMACJYSPW-GMAHTHKFSA-N 400.494 3.391 0 40 HGAB C[C@]12C[C@@H](c3ccccc3)C[C@](CO)(CC[C@@H](NC(=O)c3ccc(F)cc3)[C@@H]1O)O2 257327409 XBEZBQDCQCBRTF-FOJUDVCRSA-N 413.489 3.163 0 40 HGAB COc1ccc(N(CC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)S(C)(=O)=O)cc1 260834591 NFIOPRQFMZHDRV-MRXNPFEDSA-N 416.543 3.217 0 40 HGAB COCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1C[C@H]1CCCO1 260916563 JMDQHMYQOQEKLZ-NSISKUIASA-N 400.548 3.071 0 40 HGAB C[C@H](NC(=O)[C@H](c1ccccc1)N(C)S(C)(=O)=O)c1ccc2c(c1)CCCC2 260920039 FHVZHOZCYNMQLX-KKSFZXQISA-N 400.544 3.375 0 40 HGAB COc1ccc(CN2C[C@@H]3[C@@H](C2)n2cccc2C(=O)N3Cc2csc(C)n2)cc1 306125859 DDYOKNMRWGNHDQ-NHCUHLMSSA-N 408.527 3.343 0 40 HGAB CCCOC(=O)c1ccc(NC(=S)NC(=O)c2ccc3c(c2)OCCO3)cc1 408624430 TXHOSOWWHVPFBU-UHFFFAOYSA-N 400.456 3.151 0 40 HGAB CC(C)N1C[C@H](C(=O)Nc2cc(C(F)(F)F)ccc2OC[C@H]2CCCO2)CC1=O 408706711 CORHFKUWPDVVKP-UKRRQHHQSA-N 414.424 3.459 0 40 HGAB CCc1ccc(OCC(=O)N(C)Cc2nnc(-c3ccc(OC)c(OC)c3)o2)cc1 408713995 FXURJBSWGGRIFA-UHFFFAOYSA-N 411.458 3.354 0 40 HGAB COC(=O)CSc1nc2ccc(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)O)cc2s1 408748939 CVSRGXJEKGBDKU-NEPJUHHUSA-N 408.501 3.391 0 40 HGAB COC(=O)CSc1nc2ccc(NC(=O)[C@@H]3[C@@H](C(=O)O)[C@H]4C=C[C@H]3C4)cc2s1 408750403 MKAACFCCUYTYSK-NXPNQGMMSA-N 418.496 3.023 0 40 HGAB COc1cccc(NC(=O)CSc2nc(O)cc(=O)n2-c2ccc(Cl)cc2)c1 408888958 DBEVHJIKHXEWMO-UHFFFAOYSA-N 417.874 3.331 0 40 HGAB COc1ccccc1/C=[N+]1\NC(=O)[C@@H](NC(=O)c2cccc(C)c2)[C@H]1c1ccccc1 409055518 CIUAMOWWHMPKBR-HFXBMHRVSA-O 414.485 3.020 0 40 HGAB CS(=O)(=O)N(CC(=O)NCc1ccc(Cl)cc1Cl)Cc1ccccc1 409107654 SUNZAGDQCHGRHD-UHFFFAOYSA-N 401.315 3.071 0 40 HGAB CC(C)[C@H](NC(=O)c1ccccc1)c1nnc(SCC(=O)Nc2ccccn2)n1C 409170660 WDMYCHXDTQWOGW-SFHVURJKSA-N 424.530 3.068 0 40 HGAB O=C(NCc1cc(F)c(C(F)(F)F)cc1F)NC[C@@H](O)COc1ccc(F)cc1 512865471 DFFRDTJYDQOXOI-GFCCVEGCSA-N 422.325 3.362 0 40 HGAB CC(C)(C)c1ccc(SCC(=O)NCC(=O)Nc2ccc(-n3cncn3)cc2)cc1 524310937 OASKUEYUUHFTTA-UHFFFAOYSA-N 423.542 3.412 0 40 HGAB Cc1nc(-c2cccc(C(F)(F)F)c2)[nH]c1C(=O)N1CCO[C@@]2(CCCOC2)C1 553018985 ZNBBSOCNHOJBLX-IBGZPJMESA-N 409.408 3.426 0 40 HGAB O=S(=O)(Cc1ccc(C(F)(F)F)cc1)NCc1nc(C2CCSCC2)no1 575615770 FYOYCRQYEUERAN-UHFFFAOYSA-N 421.466 3.319 0 40 HGAB O=C(Cn1nc(-c2ccco2)ccc1=O)Nc1ccccc1-c1cn2c(n1)CCCC2 575621546 YJLUJJJKJQZZSL-UHFFFAOYSA-N 415.453 3.342 0 40 HGAB Cc1cccc(Nc2cc(C)nc([C@@H]3CCCCN3C(=O)/C=C/c3cnc[nH]3)n2)n1 585290879 GRQBTFGMRGOTHU-BBVFFXRHSA-N 403.490 3.722 0 40 HGAB Cc1nc(Nc2ncc(C)s2)cc([C@H]2CCN(C(=O)/C=C/c3cnn(C)c3)C2)n1 585291068 JDNFSJSKYJWEMM-APHBUQMISA-N 409.519 3.056 0 40 HGAB O=C(Nc1nnc(NS(=O)(=O)c2ccccc2)s1)[C@H]1CCc2cc(F)ccc21 1182401549 VXBNSMIWYQAMHY-HNNXBMFYSA-N 418.475 3.147 0 40 HGAB Cn1ccc2cc(C(=O)N3CCC4(CC3)CC(=O)N(Cc3ccncc3)C4)ccc21 1565555920 RZFZWTWOLGLFGG-UHFFFAOYSA-N 402.498 3.228 0 40 HGAB O=C1NC(=S)N(S(=O)(=O)c2c(Cl)cccc2Cl)[C@H]1Cc1ccccc1 631307 UQQLIXXVKLXGQU-ZDUSSCGKSA-N 415.323 3.010 0 40 HGAB O=C(c1ccncc1)N(c1ccc2oc(=O)sc2c1)S(=O)(=O)c1ccccc1 2493454 WMHRJRUMNRIBMB-UHFFFAOYSA-N 412.448 3.285 0 40 HGAB CCCn1c(SCC(=O)NC(=O)NC2CCCCC2)nc2ccccc2c1=O 2623337 RVBWTWSIVKTNIR-UHFFFAOYSA-N 402.520 3.057 0 40 HGAB CCOC(=O)c1c(NC(=O)COc2ncnc3sccc23)sc2c1CCC2 2645835 FHJWLHRTUGAJGF-UHFFFAOYSA-N 403.485 3.436 0 40 HGAB O=C(CSCC(=O)N1CCOCC1)Nc1nc(-c2ccc(Cl)s2)cs1 2723396 DMQFKPBYDBVTRU-UHFFFAOYSA-N 417.965 3.056 0 40 HGAB COc1ccc(C(=O)Nc2c3c(nn2-c2ccccc2C)C[S@](=O)C3)cc1OC 2725153 HIGSVPIJWZTCDS-LJAQVGFWSA-N 411.483 3.213 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)cc1 3556634 QSQNVDLDXNCGIM-UHFFFAOYSA-N 412.433 3.161 0 40 HGAB COCCn1c(SCC(=O)Nc2ccc(C)cc2C)nc2c(c1=O)S[C@@H](C)C2 4108025 OXQKKEGRJZQWHR-AWEZNQCLSA-N 419.572 3.274 0 40 HGAB COc1ccc(-n2nnc3c(SCC(=O)Nc4cccc(F)c4)ncnc32)cc1 4166749 HTQIHBGZKUWFQO-UHFFFAOYSA-N 410.434 3.089 0 40 HGAB CCc1nc2sc([C@H](c3cccs3)N3CCC(C(=O)OC)CC3)c(O)n2n1 4584784 VLDJOIDWFZQVBW-AWEZNQCLSA-N 406.533 3.095 0 40 HGAB CCOC(=O)c1cc(NC(=O)COc2ccc(C)cc2C)ccc1N1CCOCC1 4711569 UKDBDJFMSOPXDU-UHFFFAOYSA-N 412.486 3.334 0 40 HGAB Cc1ccc(C)c(NC(=O)Cn2c(=O)n(Cc3ccco3)c(=O)c3ccccc32)c1 4906554 WGBBMFTVJSJMJQ-UHFFFAOYSA-N 403.438 3.060 0 40 HGAB O=C(CCNC(=O)/C(=C\c1ccco1)NC(=O)c1ccccc1)OCc1ccccc1 5007847 PNMAOBHGLKCMPW-LTGZKZEYSA-N 418.449 3.300 0 40 HGAB CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@@H](C)N2CCc3ccccc32)ccc1C 5897880 ZOIXWQTVJAZPNB-QGZVFWFLSA-N 415.559 3.415 0 40 HGAB Cc1[nH]c2ccccc2c1[C@H]1c2ccccc2C(=O)N1CC(=O)NC[C@H]1CCCO1 6279910 CYEARHVJOBIBGM-WAIKUNEKSA-N 403.482 3.317 0 40 HGAB O=C(Nc1ccc(OC(F)F)cc1)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 6328951 KJABCUPDAVIIOV-LBPRGKRZSA-N 404.369 3.051 0 40 HGAB C[C@@H](OC(=O)C1CCC(C(C)(C)C)CC1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 6500342 CDKJRRMCQAWJKR-WLYUNCDWSA-N 410.536 3.057 0 40 HGAB CCOc1cc([C@H]2c3c(oc4cc(C)cc(C)c4c3=O)C(=O)N2CCO)ccc1O 6743340 CGDOHLHWMQJYTF-FQEVSTJZSA-N 409.438 3.052 0 40 HGAB COC(=O)c1cccc(NS(=O)(=O)c2c(F)cc(F)cc2Br)c1 6820256 FNJWBZGJBJIOLI-UHFFFAOYSA-N 406.204 3.315 0 40 HGAB CCOc1cc2c(cc1CNC(=O)CCCn1c(=O)oc3ccccc31)O[C@H](C)C2 8271480 PXQOBSASNWRJRV-OAHLLOKOSA-N 410.470 3.413 0 40 HGAB O=C(CNC(=O)OCc1ccccc1)OCC(=O)c1ccc(Br)cc1 8306475 YDKBSVYGPDESDD-UHFFFAOYSA-N 406.232 3.101 0 40 HGAB O=C(COc1ccc(-n2cnnn2)cc1)N[C@H](c1ccc(F)cc1)c1cccs1 8327303 MNEFJBBITNDBAQ-HXUWFJFHSA-N 409.446 3.148 0 40 HGAB COc1ccc(OC)c(S(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3CC(C)C)c1 8840812 MGOYGLXRTILVLL-UHFFFAOYSA-N 418.515 3.440 0 40 HGAB CC(=O)Nc1cccc(NC(=O)[C@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)c1 9193379 NFRTZCDKXIRCJN-LBPRGKRZSA-N 409.895 3.092 0 40 HGAB Cc1ccc(C2=NC3(CCN(CC(=O)Nc4cccc(Cl)c4C)CC3)NC2=O)cc1 9526752 OFBNQDWOJFTPLW-UHFFFAOYSA-N 424.932 3.307 0 40 HGAB biogenic Cc1ccc(-c2nnc(-c3ccc(C(=O)NCCCN4CCCC4=O)cc3)o2)cc1 9585576 IMWPWXUDJYVOEP-UHFFFAOYSA-N 404.470 3.454 0 40 HGAB C[C@@H](C(=O)NCCSCc1ccccc1F)N(c1ccccc1)S(C)(=O)=O 10281032 SVFYAKIJOQEMIS-HNNXBMFYSA-N 410.536 3.030 0 40 HGAB Cc1ccc(C(=O)Nc2ccc(C(N)=O)cc2)cc1NS(=O)(=O)c1ccccc1 10315230 INQRFJYXIXTIAZ-UHFFFAOYSA-N 409.467 3.147 0 40 HGAB COc1ccccc1CNC(=O)[C@@H](C)N(c1cc(Cl)ccc1C)S(C)(=O)=O 10372088 VFVPUBBUXYGCTP-CQSZACIVSA-N 410.923 3.128 0 40 HGAB CC(C)[C@H](NC(=O)CSc1nncn1C1CC1)c1ccc2c(c1)OCCCO2 10649480 SYHVLFRMBMKTDO-IBGZPJMESA-N 402.520 3.380 0 40 HGAB Cc1cc(C)nc(Sc2ccc(NC(=O)CN3C(=O)c4ccccc4C3=O)cc2)n1 11286013 XAOFQVVRDNCUPQ-UHFFFAOYSA-N 418.478 3.479 0 40 HGAB O=C(NCCCOc1ccccc1F)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O 11355056 GXPGNSVYSUUGFY-UHFFFAOYSA-N 422.412 3.414 0 40 HGAB COc1ccc2cc(CN(Cc3ccc4c(c3)OCO4)C[C@H](C)O)c(OC)nc2c1 12118140 RDZUUGJBBKXUHR-HNNXBMFYSA-N 410.470 3.364 0 40 HGAB CC(=O)Nc1cccc(NC(=O)c2ccc(Cl)c(N3CCCCS3(=O)=O)c2)c1 12195149 CQQAPOFIYOHQGT-UHFFFAOYSA-N 421.906 3.481 0 40 HGAB COc1cc(CCC(=O)N2CCC(c3noc(-c4ccc(O)nc4)n3)CC2)ccc1C 12232108 AZSMRIPDCWGFKZ-UHFFFAOYSA-N 422.485 3.493 0 40 HGAB Cc1c(Cl)cc2c(oc(=O)n2CC(=O)c2ccc3c(c2)n(C)c(=O)n3C)c1Cl 12372428 KIXRQWRTGIZAGH-UHFFFAOYSA-N 420.252 3.283 0 40 HGAB COc1ccc(-c2csc(NC(=O)c3ccc4c(c3)C(=O)N(C)C4=O)n2)cc1OC 12774370 BQSWPIYEAACFTG-UHFFFAOYSA-N 423.450 3.305 0 40 HGAB COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)Cc2cccc3ccccc23)cc1 12857296 JYFROPMGDJNMFW-INIZCTEOSA-N 412.511 3.334 0 40 HGAB Cc1ccc(S(=O)(=O)N(CCC(=O)N2C[C@H](C)O[C@H](C)C2)c2ccccc2)cc1 12998982 GSRAMZQBSNFKQI-KDURUIRLSA-N 416.543 3.216 0 40 HGAB CSc1ncccc1C(=O)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12 13009985 YGTMJFFIQXRDCN-UHFFFAOYSA-N 401.801 3.448 0 40 HGAB Cc1c(NC(=O)c2cc(-c3cc(Cl)ccc3O)n[nH]2)c(=O)n(-c2ccccc2)n1C 13125568 SQUKZKQFGPOJOH-UHFFFAOYSA-N 423.860 3.486 0 40 HGAB COC(=O)[C@H](C)Sc1nnc2c3cnn(-c4ccc(Cl)c(Cl)c4)c3ncn12 13556926 AHRXSMPCEMECGE-QMMMGPOBSA-N 423.285 3.424 0 40 HGAB O=C(CCN1C(=O)S/C(=C\c2cccs2)C1=O)Nc1ccc(O)cc1C(=O)O 13574796 GGMJGWNITMLLIV-ZROIWOOFSA-N 418.452 3.217 0 40 HGAB CC(C)CCNC(=O)CC[C@@H]1NC(=O)N(CCc2c[nH]c3ccc(Cl)cc23)C1=O 13653593 GSMNRZFDBNIPEQ-SFHVURJKSA-N 418.925 3.227 0 40 HGAB CCOC(=O)c1cccc(NC(=O)CN(c2ccc(CC)cc2)S(C)(=O)=O)c1C 13671359 RYMWPXUZHPSULN-UHFFFAOYSA-N 418.515 3.139 0 40 HGAB CC[C@@H](C(=O)Nc1ccc(NC(C)=O)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O 13714698 ASJPIRNYFZPSRR-SFHVURJKSA-N 423.922 3.482 0 40 HGAB CN(CC(=O)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1)[C@@H]1CCCc2ccccc21 16342861 FFYAHKFABLLOFU-RBBKRZOGSA-N 412.555 3.216 0 40 HGAB O=c1c2ncccc2n(Cc2cccc(Cl)c2)c(=O)n1Cc1ccc2c(c1)OCO2 17149969 VKGMVKZULSBAFU-UHFFFAOYSA-N 421.840 3.037 0 40 HGAB Cc1cc(-c2cnn(CCO)c2[C@@H]2CCCCN2C(=O)c2sc(C)nc2C)on1 19124401 MXBZQONVOHJSBR-INIZCTEOSA-N 415.519 3.280 0 40 HGAB Fc1ccc([C@@H](c2nnnn2C2CCCC2)N2CCN(Cc3ccncc3)CC2)cc1 19332623 OKSSFSWDJNGFKE-QFIPXVFZSA-N 421.524 3.230 0 40 HGAB O=C(NC[C@H]1CCCO1)[C@@H]1CN(Cc2ccccc2)C[C@H]1C(=O)c1ccc(F)cc1 19372545 PLUMZEBNFWECHX-YPAWHYETSA-N 410.489 3.052 0 40 HGAB C[C@H]1CCCN(c2cc(C(=O)N(C[C@@H]3CCCO3)C3CCN(C)CC3)ccn2)C1 19496616 DOQWFNZBIGCUGX-RXVVDRJESA-N 400.567 3.033 0 40 HGAB COc1cccc2ccc(CN3[C@H]4CC[C@@H]3c3cnc(N5CCOCC5)nc3C4)nc12 19568404 INLDDWIUSMRWLT-GHTZIAJQSA-N 417.513 3.132 0 40 HGAB CC(C)(C)c1csc(CCNC(=O)[C@@H]2CC(=O)N(Cc3cccc(F)c3)C2)n1 19718379 PPXUUDVTKCCFLK-OAHLLOKOSA-N 403.523 3.287 0 40 HGAB COc1ccccc1CN1C(=O)Cc2c(C)nc([C@@H]3CCCN(C(=O)C(C)C)C3)nc21 19744524 DXQCAWNCDRKZDW-GOSISDBHSA-N 422.529 3.245 0 40 HGAB O=C(O)c1ccc(-n2nnnc2SCC(=O)c2ccc(Br)cc2)cc1 19853632 BFYDNBYEDYTMQY-UHFFFAOYSA-N 419.260 3.098 0 40 HGAB O=C(C[C@H]1C(=O)N(Cc2cccnc2)c2nc3ccccc3n21)NCc1ccccc1 19962139 AKYLUDJMTXBYHN-NRFANRHFSA-N 411.465 3.226 0 40 HGAB CCCCC[C@@H](C)NC(=O)CSc1nnc(COc2c(C)cccc2C)n1N 21629254 JIBIZILHAUOGEW-MRXNPFEDSA-N 405.568 3.365 0 40 HGAB CCS(=O)(=O)c1ccc(NC(=O)CCc2c(C)nc3cc(C)nn3c2C)cc1 21694344 QITZWOJGPWLFRK-UHFFFAOYSA-N 400.504 3.019 0 40 HGAB COc1ccc([C@H](CC(=O)OC(C)C)NC(=O)c2ccc3c(c2)CCC(=O)N3)cc1 21840630 ZXXUKMGQDGOCKZ-FQEVSTJZSA-N 410.470 3.393 0 40 HGAB O=C(NCCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cc(F)cc(F)c1 22227324 ORJRBJCVEXABFI-UHFFFAOYSA-N 408.470 3.112 0 40 HGAB O=C(c1cc(-c2ccc(Br)cc2)n[nH]1)N1CCN(c2nccs2)CC1 23009646 HOCUMWQQSIXVKB-UHFFFAOYSA-N 418.320 3.258 0 40 HGAB CN(C)[C@@H](CNC(=O)[C@H]1CCCN(C(=O)c2cccs2)C1)c1cccc(F)c1 23081686 MYXRTOYOYHHIIR-WMZOPIPTSA-N 403.523 3.159 0 40 HGAB O=S(=O)(c1ccccc1Cl)N1CCN(Cc2cccc3cccnc23)CC1 24258475 SKTGCRGXTBOROF-UHFFFAOYSA-N 401.919 3.395 0 40 HGAB CC(C)c1ccccc1-n1ccnc1S[C@H](C)C(=O)N1CCC[C@@H](C(N)=O)C1 25414352 FXXGWORSYPQIQW-HZPDHXFCSA-N 400.548 3.200 0 40 HGAB Cc1ccc(N2C[C@@H](C(=O)O[C@@H](C)c3nc4ccccc4c(=O)[nH]3)CC2=O)cc1F 26449565 WVSMJBLASFFQSB-KBPBESRZSA-N 409.417 3.028 0 40 HGAB O=S(=O)(c1ccccc1)N(C[C@H](O)COCc1ccccc1F)c1nccs1 28086275 VKZXMFSVHBJSQY-INIZCTEOSA-N 422.503 3.055 0 40 HGAB CCOc1ccccc1Nc1nnc(SCc2ccccc2Cl)n(N)c1=O 28536006 WDEZXXPCHLYQOK-UHFFFAOYSA-N 403.895 3.440 0 40 HGAB CC(C)C[C@@H](NC(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O)c1ccccc1 30754215 GXRWHAHJEOYYEV-GOSISDBHSA-N 418.515 3.085 0 40 HGAB CCc1cccc(C)c1NC(=O)CSc1nnc(-c2cccc(C)c2)n1CC(N)=O 32741941 IBEOURVLXFTQRO-UHFFFAOYSA-N 423.542 3.340 0 40 HGAB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)[C@H]1CCCN1C(=O)c1ccco1 32772510 DFOZLYBWFGHPDZ-HXUWFJFHSA-N 406.486 3.062 0 40 HGAB COc1ccc([C@H]2CCCN2C(=O)CN2C(=O)CCOc3ccccc32)cc1OC 32901624 VWTHSYUPMJLSSN-QGZVFWFLSA-N 410.470 3.183 0 40 HGAB CCOC(=O)c1cc(CC)sc1NC(=O)CN1C(=O)[C@@H](C)Oc2ccccc21 40024648 YQLBAIHDRHVEFV-GFCCVEGCSA-N 402.472 3.240 0 40 HGAB CCN1CCN(Cc2ccccc2CNC(=O)COc2ccccc2Cl)CC1 40089829 OSRLYJXRKDYPMJ-UHFFFAOYSA-N 401.938 3.173 0 40 HGAB COCCN(C)CCCNC(=O)C(=O)Nc1ccccc1Oc1ccccc1Cl 41923825 AQLDRVZHDMBJNO-UHFFFAOYSA-N 419.909 3.155 0 40 HGAB Cc1ccccc1CN1CCC(C(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 44857116 CECULAIUGKRMPU-GOSISDBHSA-N 414.571 3.488 0 40 HGAB O=C(NCCC(=O)N1CCOCC1)N[C@H](CCCc1ccccc1)c1ccccc1 45212346 UICNLICMINAUOI-JOCHJYFZSA-N 409.530 3.299 0 40 HGAB CCc1ccc(NC(=O)Cn2c(=O)cnc3cc(C(=O)NC4CCCC4)ccc32)cc1 49008036 XSLVIYNTYNFKQM-UHFFFAOYSA-N 418.497 3.270 0 40 HGAB O=C(C[C@@H]1NC(=O)c2ccccc2N=C1O)NCCc1ccc(Cl)cc1Cl 49545664 CLNHYLDFIIKECA-INIZCTEOSA-N 406.269 3.442 0 40 HGAB O=C(Cc1sc(-c2ccccc2)nc1-c1cccs1)N[C@@H]1CCS(=O)(=O)C1 52602438 NPFCSLCLPSSAHX-CQSZACIVSA-N 418.565 3.384 0 40 HGAB CC(=O)c1cc(C(=O)N[C@H](C)c2cc3c(cc2Br)OCCO3)n(C)c1 55784463 CUZQTBVOYIJZME-SNVBAGLBSA-N 407.264 3.252 0 40 HGAB CCOc1ccc(NC(=O)Cn2c(N3CCc4ccccc4C3)nc(C)cc2=O)cc1 57506413 FGPDZMUBYYTZIS-UHFFFAOYSA-N 418.497 3.152 0 40 HGAB COc1ccc(C(=O)Nc2ccc3c(c2)nc(CN(C)C(=O)NC(C)C)n3C)cc1 61719762 KEWMVORQLALFEE-UHFFFAOYSA-N 409.490 3.384 0 40 HGAB COc1cccc(N(Cc2ccccc2F)S(=O)(=O)c2ccc3nncn3c2)c1 67245789 OLAZHPWPYDEDRV-UHFFFAOYSA-N 412.446 3.273 0 40 HGAB Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccc(N3CCNC(=O)C3)c(Cl)c2)c1C 71894759 FKHRTMRBUCROFX-UHFFFAOYSA-N 421.950 3.311 0 40 HGAB C[C@H](C(=O)Nc1cccc(Cl)c1)N1CCC(NC(=O)Cc2ccc(O)cc2)CC1 72308356 IMTLVYGNLOCEKJ-OAHLLOKOSA-N 415.921 3.196 0 40 HGAB O=C(Nc1nncs1)[C@H]1c2ccccc2C(=O)N(C[C@@H]2CCCO2)C12CCCC2 72400393 YOQPFTGIHXJWIK-WMLDXEAASA-N 412.515 3.208 0 40 HGAB CS(=O)(=O)C[C@H](NC(=O)/C=C/c1ccccc1Br)c1ccccc1 83984498 IIURJYVHUACLON-FLVLSHQESA-N 408.317 3.364 0 40 HGAB O=C(NC1(c2ccccc2)CCC1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 84525160 JSSKJUDHACUAHZ-QGZVFWFLSA-N 416.518 3.422 0 40 HGAB COc1cccc(N2CCN(C(=O)CCSc3ccc4c(c3)OCCO4)CC2)c1 95399256 QESZFFXHWYDLOX-UHFFFAOYSA-N 414.527 3.297 0 40 HGAB CN(C)CCS(=O)(=O)c1ccccc1C(=O)Nc1ccc2nc(C3CC3)oc2c1 95453206 AQCYIEDBURXBKI-UHFFFAOYSA-N 413.499 3.293 0 40 HGAB CCN(CC)CCOCCNC(=O)Nc1cccc(C(=O)N(C)c2ccccc2)c1 95939496 QMJKKEKJVCVMIH-UHFFFAOYSA-N 412.534 3.443 0 40 HGAB COc1cc2cc(C(=O)Nc3cccc(C(=O)c4nccn4C)c3)[nH]c2cc1OC 96118472 OOQGJHADTPYXTA-UHFFFAOYSA-N 404.426 3.402 0 40 HGAB CO[C@](C)(CNS(=O)(=O)c1ccccc1Br)c1ccccc1F 96123599 CCFCSGXLKVHFLI-MRXNPFEDSA-N 402.285 3.428 0 40 HGAB Cn1cnc(S(=O)(=O)N2CCCc3cc(Br)cc(F)c32)c1Cl 97199269 UNPGKWBEJSGGFT-UHFFFAOYSA-N 408.680 3.117 0 40 HGAB COCCN1C[C@@H](c2cc(O)n3nc(C)c(-c4ccc(Cl)cc4)c3n2)CC1=O 100775815 WZCVZHNKIGBELN-AWEZNQCLSA-N 400.866 3.026 0 40 HGAB COc1ccc2c(c1)[C@@H]1C[C@@](C)(O2)N(C)C(=O)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 100894329 FYFHGMWBQDVCQU-XKGZKEIXSA-N 421.902 3.245 0 40 HGAB CCn1c(S)nc2cc(C(=O)NCc3cccc(Br)c3)ccc2c1=O 103063566 PZIKBHZKYZWSGP-UHFFFAOYSA-N 418.316 3.398 0 40 HGAB CCOc1ccccc1N(CC(=O)NCc1cccc2ccccc12)S(C)(=O)=O 222838564 OXPQSHHHWYNLBC-UHFFFAOYSA-N 412.511 3.321 0 40 HGAB COc1ccc(S(=O)(=O)Nc2ccc(C(=O)NC[C@H]3CCCO3)c(Cl)c2)cc1 224023343 YGTPJKFRCXJJHA-OAHLLOKOSA-N 424.906 3.058 0 40 HGAB COc1ccc(S(=O)(=O)NC[C@@H](C)c2ccccc2)cc1C(=O)N1CCCCC1 224032491 GAODCOCKOLHROF-QGZVFWFLSA-N 416.543 3.403 0 40 HGAB CCOC(=O)CN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccc(NC(C)=O)cc1 224895717 KNRVKYQAVYYUNK-UHFFFAOYSA-N 424.906 3.365 0 40 HGAB CC(C)Sc1nnc(NC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)s1 225749513 YEUUSQDFADJCBX-UHFFFAOYSA-N 420.969 3.097 0 40 HGAB CC(C)Sc1nnc(NC(=O)c2ccc(NS(C)(=O)=O)cc2Cl)s1 225845751 IEUIEDKNLGKSKK-UHFFFAOYSA-N 406.942 3.316 0 40 HGAB CCc1cc(Br)cc(C)c1NC(=O)[C@@H]1CCCN(S(=O)(=O)CC)C1 226048343 NLEGOMXGFJCDEI-CQSZACIVSA-N 417.369 3.320 0 40 HGAB CC(=O)N1CCC(C(=O)N2CCC[C@](C)(c3ncc(Cc4ccccc4)o3)C2)CC1 257208155 BKZBNOUPKIGCOL-DEOSSOPVSA-N 409.530 3.404 0 40 HGAB O=C(O)CN(Cc1ccc(F)cc1)C(=O)Cn1c(C(F)(F)F)nc2ccccc21 257329994 XMIDPVYEVVJVRE-UHFFFAOYSA-N 409.339 3.308 0 40 HGAB COc1cccc([C@H]2C[C@](C)(NC(=O)CCO)C[C@@H](c3ccc(F)cc3)O2)c1O 257330299 XNTPSJSMYQBCQZ-NNMXDRDESA-N 403.450 3.390 0 40 HGAB Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)N[C@H](C)C(C)C)Oc3cc(C)ccc32)cc1 260905612 RDRSJGUMTCAOQF-DYESRHJHSA-N 416.543 3.420 0 40 HGAB CN1CCN(C(=O)c2ccoc2)C[C@H]1c1nnn2cc(-c3cccc(F)c3)ccc12 306124237 BKIHZRRDALHJIM-FQEVSTJZSA-N 405.433 3.257 0 40 HGAB Cc1nc(CN2C(=O)c3cccn3[C@H]3CN(Cc4ccc5c(c4)OCO5)C[C@H]32)cs1 306141550 WAAZINDOPZWKQV-RBUKOAKNSA-N 422.510 3.063 0 40 HGAB CCC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C 408561163 GXEQZSCUJWQCTP-QGZVFWFLSA-N 416.543 3.430 0 40 HGAB CCOc1cc(/C=C2\SC(=O)N(C)C2=O)cc(I)c1OC 408820423 WBCQWENCDMTWKC-XFFZJAGNSA-N 419.240 3.365 0 40 HGAB Cn1c(-c2cc(-c3ccccc3)nc3ccccc23)nnc1N1CC[C@]2(CNC(=O)C2)C1 508523831 ZKYMZGIQEKKBEW-VWLOTQADSA-N 424.508 3.414 0 40 HGAB O=C1N[C@@H](CC(=O)N2CCC[C@H]2c2nc3ccccc3s2)C(=O)Nc2ccccc21 524733338 IUAJZZYNLKGNAM-IRXDYDNUSA-N 420.494 3.101 0 40 HGAB O=C(c1ccc(F)c(F)c1F)N1CCC[C@H](Oc2ncc(Br)cn2)C1 575611970 HQCAZUIZOVYPTN-JTQLQIEISA-N 416.197 3.340 0 40 HGAB O=C(CCS(=O)(=O)c1ccccc1)NC[C@@H](O)c1ccc(-c2cccs2)s1 606440590 DHACBUZSKLFIIR-OAHLLOKOSA-N 421.565 3.490 0 40 HGAB Cc1cc(C(=O)Nc2ccc(-n3ccccc3=O)cc2F)ccc1N1CCNC1=O 1532244087 DXNINWSKYFXMLM-UHFFFAOYSA-N 406.417 3.067 0 40 HGAB COC(=O)c1cnc(Nc2cccc([C@@H]3CN(C(=O)OC(C)(C)C)CCO3)n2)s1 2037836323 ZSHCISLALXRFNM-ZDUSSCGKSA-N 420.491 3.377 0 40 HGAB CCOC(=O)[C@@](NC(=O)N(C1=NC[C@@H](C)S1)c1ccccc1)(OC)C(F)(F)F 2271228 IUXUJAYDTRADHY-BDJLRTHQSA-N 419.425 3.162 0 40 HGAB C[C@@H](Sc1nc(-c2ccccc2)nc2c1COC(C)(C)C2)C(=O)N1CCOCC1 2349104 LDIMZXXJCUAZKH-OAHLLOKOSA-N 413.543 3.334 0 40 HGAB Cn1c(=O)c2c(-c3ccccc3)n(-c3cc4c(cc3O)CCCC4)cc2n(C)c1=O 2441137 VINRRUKOCZMJHZ-UHFFFAOYSA-N 401.466 3.279 0 40 HGAB C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3ccc4c(c3)OCO4)cc2)C1 3517717 AOHFJCUWZDLLFB-GJZGRUSLSA-N 416.499 3.334 0 40 HGAB CCOC(=O)CNC(=O)CSc1nc(C2CC2)nc2sc3c(c12)CC[C@H](C)C3 4218031 XRXATWXWMFLTKT-NSHDSACASA-N 419.572 3.465 0 40 HGAB CN(C[C@H]1CCCO1)S(=O)(=O)c1ccc(C(=O)Nc2ccc(F)cc2F)cc1 4325612 WOPDXWLKWABGQN-OAHLLOKOSA-N 410.442 3.017 0 40 HGAB CCOc1ccccc1NC(=O)CSc1ccc2nnc(-c3ccncc3)n2n1 4328062 OKAAYLHVIGPLOW-UHFFFAOYSA-N 406.471 3.316 0 40 HGAB CS(=O)(=O)c1ccccc1-c1nnc(NC(=O)Cc2cccc3ccccc23)o1 4585645 SBPZWNYWVGWJLB-UHFFFAOYSA-N 407.451 3.475 0 40 HGAB CCOC(=O)c1sc(N)c(C(=O)OCC)c1CSc1nnc2ccccn12 6114888 NJOLTAFZPBIADO-UHFFFAOYSA-N 406.489 3.019 0 40 HGAB O=C(COc1ccc(OCc2ccccc2)cc1)Nc1ccc(-n2cnnn2)cc1 6287613 IBCPYGAVJKJQML-UHFFFAOYSA-N 401.426 3.259 0 40 HGAB Cc1nc(SCC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)n(CC(C)C)c1C 6589671 MDMYBGYOYBRPNF-UHFFFAOYSA-N 418.519 3.368 0 40 HGAB Cc1noc(C)c1COc1ccc(CC(=O)Nc2cccc(-n3cnnn3)c2)cc1 6880433 GLTKNPUMHJFOOS-UHFFFAOYSA-N 404.430 3.027 0 40 HGAB CN(CC(=O)N(C)c1ccccc1C(=O)NCc1ccco1)Cc1ccc(F)cc1 6976630 GKIILVFADOJDBW-UHFFFAOYSA-N 409.461 3.444 0 40 HGAB CCc1ccccc1N1C[C@H](C(=O)O[C@@H](C(=O)NC2CC2)c2ccccc2)CC1=O 7504883 XMYCYPAMXCPYMF-XMSQKQJNSA-N 406.482 3.165 0 40 HGAB COC(=O)C1=C(C)N(CCCC(=O)O)C(=O)N[C@H]1c1ccc(Cl)cc1Cl 7551160 BIYNBGNTOSOSAC-HNNXBMFYSA-N 401.246 3.372 0 40 HGAB CCc1cccc2c(C(=O)CN3C(=O)N[C@@]4(CCOc5ccccc54)C3=O)c[nH]c12 8133150 YUJMWDHLGIVSDN-HSZRJFAPSA-N 403.438 3.143 0 40 HGAB O=C(CSc1nc2ccccc2n1S(=O)(=O)c1ccccc1)Nc1ccccn1 8399955 VIWWNDUBKIERKH-UHFFFAOYSA-N 424.507 3.399 0 40 HGAB Cc1ccc2c(=O)cc(C(=O)Nc3nc4ccc(S(C)(=O)=O)cc4s3)oc2c1 8915379 ZGXHHOOZWUGDIV-UHFFFAOYSA-N 414.464 3.367 0 40 HGAB COC(=O)c1cc(OC)c(OC)cc1NCC(=O)N1CCC[C@H]1c1cccs1 9313786 WOXRQHLFGLGPHP-HNNXBMFYSA-N 404.488 3.328 0 40 HGAB C[C@H](Sc1ccccc1)C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 9465066 JUTSOTDTIZAJDG-HNNXBMFYSA-N 424.975 3.354 0 40 HGAB O=C1CCc2cc(S(=O)(=O)Nc3ccccc3C(=O)NC3CCCC3)ccc2N1 9468198 LLYYWMQUPNHBIO-UHFFFAOYSA-N 413.499 3.045 0 40 HGAB COc1ccc(C)c2sc(N(CCCN(C)C)C(=O)c3cc(C)nn3C)nc12 12229414 AZEBIXDLOHYLBY-UHFFFAOYSA-N 401.536 3.254 0 40 HGAB CCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)N3C[C@H](C)O[C@H](C)C3)c2)cc1 12521342 FWYSUPOAQZVVLD-IYBDPMFKSA-N 418.515 3.136 0 40 HGAB CCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(-c3csc(C)n3)cc2)cc1 12615516 NJDYRDRHFKYXNP-UHFFFAOYSA-N 415.540 3.347 0 40 HGAB Cc1cc(N2CCN([C@@H](C)C(=O)N[C@H](C)c3ccc(F)cc3)CC2)nc(C(C)C)n1 12746627 QQXKWTJGMZDCJK-MSOLQXFVSA-N 413.541 3.435 0 40 HGAB O=S(=O)(c1ccc(F)cc1)N1CCN(Cc2ccc(Br)s2)CC1 12805453 XIRFTKLNUPUBPP-UHFFFAOYSA-N 419.341 3.156 0 40 HGAB C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1)c1ccco1 12854700 PDGXSDIIWZAUKN-MRXNPFEDSA-N 416.543 3.437 0 40 HGAB COc1ccc2c(C)c(CC(=O)Nc3ccc4oc(=O)ccc4c3)c(=O)oc2c1OC 12892594 UDWJNRSPZMNTST-UHFFFAOYSA-N 421.405 3.406 0 40 HGAB biogenic O=C(COc1ccc(C2SCCCS2)cc1)N1CCN(c2ncccn2)CC1 12918343 IPPXJVXUUJKNAA-UHFFFAOYSA-N 416.572 3.073 0 40 HGAB C[C@H](NS(=O)(=O)c1ccc(C2CCCCC2)cc1)c1cccc(S(N)(=O)=O)c1 12984598 DRGXTJULSYARPQ-HNNXBMFYSA-N 422.572 3.421 0 40 HGAB CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2ccnn2Cc2cccs2)c1 13041062 SIOCRMVADLYJFQ-UHFFFAOYSA-N 418.544 3.276 0 40 HGAB CC[C@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C1 13681232 BMVRKVUFLIZKFZ-STQMWFEESA-N 407.363 3.450 0 40 HGAB C[C@@H](Nc1cccc(F)c1)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 14118309 JGLNOASJYHLKBN-OAHLLOKOSA-N 405.495 3.439 0 40 HGAB COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)c2ccc(C(F)(F)F)cc2)cc1 14512936 DEKUQPIZDSGJPW-LBPRGKRZSA-N 416.421 3.271 0 40 HGAB CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)CSc1ccc(Cl)cc1 15718678 FWFOSEZPQBZMCN-UHFFFAOYSA-N 410.948 3.272 0 40 HGAB CC(C)N(Cc1ccccc1)C(=O)c1ccc(N2C(=O)C(C)(C)CS2(=O)=O)cc1 15843150 ZIBIBZIDNUPDTQ-UHFFFAOYSA-N 414.527 3.440 0 40 HGAB O=C(Nc1cccc(Cl)c1)[C@@H]1[C@@H]2C(=O)N(CCc3ccccc3)C[C@]23C=C[C@H]1O3 15905366 NXSSGYPVVHRRQW-VLVHOKLOSA-N 408.885 3.303 0 40 HGAB O=C(NC1CCCC1)[C@@H](c1cccnc1)N(C(=O)c1csnn1)c1ccccc1 15936121 UAKIZNFYLYTSQN-LJQANCHMSA-N 407.499 3.380 0 40 HGAB Cc1cccc(N2CCN([C@@H](c3ccncc3)c3nnnn3C(C)(C)C)CC2)c1C 19235632 XAEZKYMFHGGVPL-NRFANRHFSA-N 405.550 3.352 0 40 HGAB O=C(NC1CCCC1)[C@H]1CN(Cc2ccccc2)C[C@@H]1c1ccnc(N2CCCC2)n1 19372464 YJACODYMOVJAQI-VXKWHMMOSA-N 419.573 3.351 0 40 HGAB CCNC(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CCCN(C(=O)c2cc[nH]n2)C1 19528596 YTTBSQDJGOQSQW-XMMPIXPASA-N 417.513 3.073 0 40 HGAB COc1cc2c(cc1CN1C[C@@H](c3ccccc3)[C@@]3(CCCC(=O)N3)C1)OCCO2 19550610 PQWIQCKYQAKCDZ-YADARESESA-N 408.498 3.105 0 40 HGAB C[C@H](NC(=O)[C@@H]1OCCc2ccccc21)c1nc2cc(-c3ccccc3F)ncn2n1 19574506 VITPLCLMUYNIKB-LHSJRXKWSA-N 417.444 3.422 0 40 HGAB COc1ccc(CN2CCC(c3cc(N(C)C)nc(-c4cnccn4)n3)CC2)cc1 19584754 GAVTZTCUUJJHDJ-UHFFFAOYSA-N 404.518 3.388 0 40 HGAB Cc1nn(C)cc1C(=O)N1CCC[C@H](c2nc(C)c3c(n2)N(CC2CC2)CCC3)C1 19706910 GYUACURPOPNVMZ-SFHVURJKSA-N 408.550 3.009 0 40 HGAB Nc1nc(C2CCN(C(=O)Cc3ccc(F)cc3)CC2)ccc1C(=O)NC1CCCC1 19753984 DHCSQJRDLBETKX-UHFFFAOYSA-N 424.520 3.424 0 40 HGAB CNC(=O)c1cnc(C)nc1[C@@H]1CCCCN1CC(=O)N(Cc1ccccc1)C(C)C 19766498 NWORLWNPBZOXMO-NRFANRHFSA-N 423.561 3.109 0 40 HGAB Cc1ccc(C(=O)COc2ccc(NC(=O)[C@@H]3[C@@H]4C[C@@H]5OC(=O)[C@H]3[C@@H]5C4)cc2)cc1 20357418 OASUXXJVOJAEPK-WTCRCIIGSA-N 405.450 3.393 0 40 HGAB COc1ccc(S(=O)(=O)N[C@H]2CCCc3ccccc32)cc1C(=O)N1CCCC1 20453842 NRQCMJCKPFZMDC-FQEVSTJZSA-N 414.527 3.287 0 40 HGAB O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(F)(F)F)c1ccoc1 21836232 JHXFPMFNBWNOHM-UHFFFAOYSA-N 418.393 3.258 0 40 HGAB CCN(CC)S(=O)(=O)c1cc(Cl)ccc1OCC(=O)NC1CCCCC1 22248446 KJDHPBXTACXHNT-UHFFFAOYSA-N 402.944 3.198 0 40 HGAB CN(C(=O)[C@@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1)C1CCCCC1 22517649 HGRXIZOSJYCITR-HXUWFJFHSA-N 406.592 3.452 0 40 HGAB CCc1nc2sc([C@@H](c3ccc(F)cc3)N3CCC4(CC3)OCCO4)c(O)n2n1 22854083 KDBGTGKCXKCSHI-MRXNPFEDSA-N 418.494 3.126 0 40 HGAB O[C@@H](COc1cccc2ccccc12)CN1CCN(Cc2ccc3c(c2)OCO3)CC1 23118760 NTCWWRSQWYCCOP-OAQYLSRUSA-N 420.509 3.126 0 40 HGAB CCN(CC(=O)Nc1cc(Cl)ccc1OC)Cc1nc2ccccc2c(=O)[nH]1 23479846 WAQZPVUXARFFEB-UHFFFAOYSA-N 400.866 3.046 0 40 HGAB C[C@H](NC(=O)Cn1c(CS(C)(=O)=O)nc2ccccc21)c1cccc(Cl)c1 27098330 CVMWTMNPDFOZFE-ZDUSSCGKSA-N 405.907 3.112 0 40 HGAB CN1CCN(C(=O)COc2ccc(F)cc2Br)[C@@H](c2ccccc2)C1 30029380 PSUNUYPOIOGHQJ-QGZVFWFLSA-N 407.283 3.482 0 40 HGAB COc1ccc(C(=O)CCNc2ccc(N3C(=O)[C@H]4CCCN4C3=O)cc2)cc1OC 30952878 YLNDINWZBMHPGH-GOSISDBHSA-N 423.469 3.320 0 40 HGAB CCOC(=O)C(C(=O)OCC)[C@H](c1ccccc1)N1CCN(c2ccccc2)CC1 31667141 FJTWHNJVFYIULD-QFIPXVFZSA-N 410.514 3.292 0 40 HGAB CCN(CC)[C@H](CNC(=O)[C@H]1CCCN(C(=O)c2ccco2)C1)c1ccsc1 31984578 VBHHOOQOVGGJLV-FUHWJXTLSA-N 403.548 3.393 0 40 HGAB Cc1cccc(-c2nnc(SCC(=O)Nc3ccc(C)cc3C)n2CC(N)=O)c1 32741928 QNZMLOKOSVNLFE-UHFFFAOYSA-N 409.515 3.086 0 40 HGAB C[C@@H]1CCCCN1Cc1ccc(-c2nnn(CC(=O)NCc3ccc(F)cc3)n2)cc1 35290074 IHROPXHBNVHJGQ-QGZVFWFLSA-N 422.508 3.170 0 40 HGAB Cc1ccc2cccc(OS(=O)(=O)c3cc4c(cc3Cl)NC(=O)CO4)c2n1 40091310 MBIVHENXKJOXIX-UHFFFAOYSA-N 404.831 3.295 0 40 HGAB O=S(=O)(CCCc1nc(-c2ccccc2)no1)Cc1nc(-c2ccccc2)no1 40106404 DEGYKASLHDBZJI-UHFFFAOYSA-N 410.455 3.334 0 40 HGAB COc1c(Br)cc(Cl)cc1S(=O)(=O)NCc1ccc(C)nc1 40119650 NYQCGJLNQIBOHR-UHFFFAOYSA-N 405.701 3.293 0 40 HGAB COC(=O)c1c(NC(=O)c2cc(Cl)c(-n3cnnn3)cc2OC)sc(C)c1C 40140507 DADCFCSADDFRMB-UHFFFAOYSA-N 421.866 3.042 0 40 HGAB O=S1(=O)CC[C@H](NCc2ccc(Sc3ccc(Br)cc3)o2)C1 41155252 RQCUEAIAVUGFGA-LBPRGKRZSA-N 402.335 3.470 0 40 HGAB CN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)NCc2cccnc2)cc1 43453504 RPXSIFQAGLZPID-UHFFFAOYSA-N 410.499 3.224 0 40 HGAB COc1ccc(S(=O)(=O)Nc2cccc(F)c2C(=O)O)cc1Br 47202388 PGJJHPJFMFVLRE-UHFFFAOYSA-N 404.213 3.096 0 40 HGAB Cc1ccc(NC(=O)Cn2nc3c(SCc4ccccc4)nccn3c2=O)cc1C 49009231 FNZMXXNYNBFNIR-UHFFFAOYSA-N 419.510 3.439 0 40 HGAB O=C(OCc1nc(-c2ccc(Br)cc2)no1)[C@@H]1COc2ccccc2O1 51315154 ZAHIATQBUPLGMF-HNNXBMFYSA-N 417.215 3.382 0 40 HGAB COc1cc(OC)c(C2=CCN(Cc3nc4ccccc4c(=O)[nH]3)CC2)c(OC)c1 53898418 BDBGVGCZGKNSGT-UHFFFAOYSA-N 407.470 3.238 0 40 HGAB COc1ccc(S(=O)(=O)NC2CCN(Cc3ccc(F)c(F)c3)CC2)cc1F 55649707 YZKHOPSAPBECFC-UHFFFAOYSA-N 414.449 3.055 0 40 HGAB O=C(COc1ccccc1)NC[C@@H](c1ccco1)N1CCN(c2ccc(F)cc2)CC1 56945464 MCZFZEAHGGCSTD-QFIPXVFZSA-N 423.488 3.477 0 40 HGAB CCS(=O)(=O)Nc1ccccc1C1=NN(C(C)=O)[C@H](c2ccccc2OC)C1 61983953 XNZYHESERSNXLS-IBGZPJMESA-N 401.488 3.154 0 40 HGAB COc1ccc(F)cc1S(=O)(=O)N1CC(c2nc(-c3cccc(Cl)c3)no2)C1 70637146 OUCZUNUHNUZZOG-UHFFFAOYSA-N 423.853 3.326 0 40 HGAB COc1ccc(C2(C(=O)Nc3cc(OC)c(OC)c(OC)c3)CCOCC2)cc1 70666380 PYVGTRHVTSCRDC-UHFFFAOYSA-N 401.459 3.408 0 40 HGAB biogenic CN(C)CCN(C)c1nc(-c2ccccn2)nc2c1CN(Cc1ccccc1)CC2 72339918 MBBWKGYMOOZNEA-UHFFFAOYSA-N 402.546 3.095 0 40 HGAB COc1cccc(OCCc2cc([C@@H]3CCN(Cc4cccnc4N(C)C)C3)n[nH]2)c1 72371742 DXGRGVIJGGCCDJ-GOSISDBHSA-N 421.545 3.490 0 40 HGAB COc1cc(C)c(S(=O)(=O)Nc2ccc(N3CCCC3)cc2C(=O)O)cc1OC 95460458 BEBRHLRVRQXYRM-UHFFFAOYSA-N 420.487 3.111 0 40 HGAB Cc1ccc(CS(=O)(=O)N2CC[C@@]3(CC(=O)N(c4ccc(F)cc4)C3)C2)cc1 96238774 LEHMDYCRVMZFLV-OAQYLSRUSA-N 402.491 3.093 0 40 HGAB Brc1cc(OCCOCCOc2ccnc(Br)c2)ccn1 98175372 AUXJMIRMKFMYRH-UHFFFAOYSA-N 418.085 3.476 0 40 HGAB COc1ccc(OC)c(NC(=O)c2ccccc2N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 165724291 VLLFGTHUZDMEOS-MFRYECHYSA-N 418.449 3.268 0 40 HGAB COc1ccc(NC(=O)[C@@H](C)N(c2ccccc2F)S(C)(=O)=O)cc1Cl 220300712 YRKYFDAEIOANOS-LLVKDONJSA-N 400.859 3.281 0 40 HGAB CCOC(=O)c1ccc(NC(=O)[C@H](C)N(c2ccccc2F)S(C)(=O)=O)c(C)c1 220315905 IKQGKQJEGARWTO-AWEZNQCLSA-N 422.478 3.104 0 40 HGAB CNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CSCc1ccc(OC)cc1 222445824 SCQKJSJDWFQHCW-QGZVFWFLSA-N 400.544 3.400 0 40 HGAB Cc1ccc(N(CCCC(=O)NCCOc2ccccc2)S(C)(=O)=O)cc1Cl 224777109 JHJLWLPSOADQPX-UHFFFAOYSA-N 424.950 3.390 0 40 HGAB COc1ccc(N(CC(=O)Nc2ccc(N3CCCCC3)cc2)S(C)(=O)=O)cc1 224946541 ACRWCYYHVPSEMK-UHFFFAOYSA-N 417.531 3.090 0 40 HGAB O=C1CCCN1Cc1ccc(CNC(=S)Nc2cccc(N3CCCC3=O)c2)cc1 225651004 FKZFAVVZPMFWTR-UHFFFAOYSA-N 422.554 3.422 0 40 HGAB COc1ccc(NC(=O)[C@@]2(C)CCCN(c3ccccc3)S2(=O)=O)c(OC)c1 225951130 SMDMZGJNUFCKCM-HXUWFJFHSA-N 404.488 3.031 0 40 HGAB Cc1ccc(S(=O)(=O)N(CC(=O)NCC(C)(C)C)Cc2ccc(F)cc2)cc1 226067234 FRUNWVVZWJAKBQ-UHFFFAOYSA-N 406.523 3.487 0 40 HGAB CC(=O)N[C@H](C(=O)N1CC[C@@H]2O[C@@H]3c4ccccc4OC(C)(C)[C@H]3C[C@@H]2C1)C(C)C 257276390 NTMNLSARQLHVRQ-GKCFXGPNSA-N 414.546 3.313 0 40 HGAB CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NC[C@H](C)c1ccccc1 260842613 IVFYPLMDFMAONC-JXFKEZNVSA-N 404.532 3.160 0 40 HGAB CN1Cc2nnc(-c3ccc(F)cc3)n2C2(CCN(C(=O)c3ccsc3)CC2)C1 306129532 IGFPYTMPIBIHMQ-UHFFFAOYSA-N 411.506 3.223 0 40 HGAB O=C(c1ccc(Br)o1)N1CC[C@@H](c2cccs2)S(=O)(=O)CC1 390830638 MIMDEVYOIQZJFR-LBPRGKRZSA-N 404.307 3.106 0 40 HGAB O=C(CCC(=O)OCC(=O)Nc1ccc(F)cc1)Nc1ccc(Br)cc1 408665642 VDUXLFHVSJHVCJ-UHFFFAOYSA-N 423.238 3.489 0 40 HGAB COc1ccc(NC(=O)CN(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1Cl 409392221 QFNDHUUNBPMAFQ-UHFFFAOYSA-N 417.314 3.402 0 40 HGAB O=C(NCc1cccc(-n2ccnc2)c1)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 522355205 XXNRULZNNOSPOA-IBGZPJMESA-N 406.461 3.180 0 40 HGAB O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CC[C@H](Oc2ccncc2Cl)C1 575611088 TXRKJHITBNSMKR-LBPRGKRZSA-N 422.812 3.476 0 40 HGAB CN(CCN1CCCC1=O)C(=O)C(C)(C)c1csc(-c2cc(F)ccc2F)n1 582033507 HWIBVXDTBITZBR-UHFFFAOYSA-N 407.486 3.447 0 40 HGAB COCCNC(=O)CC1CCC2(CC1)CCN(C(=O)Cc1ccc(C)cc1)CC2 585101504 GFVYLKDIUKZPLJ-UHFFFAOYSA-N 400.563 3.489 0 40 HGAB C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)Cn1ccc2ccc(Cl)cc21 605138722 GFGHLHSXWLTBNA-QGZVFWFLSA-N 411.937 3.017 0 40 HGAB COc1cc([C@@H]2C3=C(CN(C(C)=O)C3=O)Nc3cccc4[nH]cc2c34)cc(OC)c1O 1547138596 NTECNFSDCVHOKE-IBGZPJMESA-N 419.437 3.091 0 40 HGAB biogenic Brc1cnc(OC[C@@H]2CCCN(Cc3cn4ccccc4n3)C2)nc1 1775969185 ANVMUDUSVIXOAY-CQSZACIVSA-N 402.296 3.178 0 40 HGAB Cc1cccc(O[C@@H](C)C(=O)N2CCC(c3nnc4ccc(C5CC5)nn34)CC2)c1 1888913100 INNOCZZQOUHDJP-INIZCTEOSA-N 405.502 3.484 0 40 HGAB O=C(Nc1ccc2nc(SCC(=O)N3CCOCC3)sc2c1)c1ccccc1 705324 JCTLLFIDLWMOMN-UHFFFAOYSA-N 413.524 3.500 0 40 HGAB Cc1c(C(=O)Nc2ccccc2)sc2ncn(CC(=O)N3CCCCC3)c(=O)c12 791219 VZMAPXCWRUMEOB-UHFFFAOYSA-N 410.499 3.031 0 40 HGAB O=C(NC1CCCCC1)[C@H](c1ccc(F)cc1)N(C(=O)c1csnn1)C1CC1 1378495 LNBFDXBWHIHYLM-SFHVURJKSA-N 402.495 3.472 0 40 HGAB Cc1ccc(CN2C[C@H](C(=O)Nc3cc(S(C)(=O)=O)ccc3Cl)CC2=O)cc1 2634934 ITGWFWMDOPAOJS-OAHLLOKOSA-N 420.918 3.039 0 40 HGAB NC(=O)Nc1ccc(C(=O)OCC(=O)Nc2ccccc2C(=O)c2ccccc2)cc1 2654214 LJPQDNBECTXKHY-UHFFFAOYSA-N 417.421 3.204 0 40 HGAB O=C(NCCc1ccc(F)cc1)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O 2657647 DCHXWEXGKFJHAB-UHFFFAOYSA-N 409.438 3.175 0 40 HGAB CC(C)N(C)S(=O)(=O)c1cccc(C(=O)OCC(=O)c2cc(F)ccc2F)c1 3451159 ZQZJKIZJFQDIFY-UHFFFAOYSA-N 411.426 3.033 0 40 HGAB Cc1cc(Cl)ccc1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C 3553999 PQZZWCZJESMNBB-UHFFFAOYSA-N 408.907 3.230 0 40 HGAB CCOC(=O)N1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(O)c(OC)c2)N3)C1 4525536 SBHPKIJIXKGGTM-MRXNPFEDSA-N 403.460 3.406 0 40 HGAB COCCNC(=O)[C@H](c1ccc(C)cc1)N(C(=O)c1csnn1)C1CCCCC1 4910833 JRWVEBYNZBUHHN-IBGZPJMESA-N 416.547 3.125 0 40 HGAB COc1ccc(/C=C/C(=O)N(Cc2ccc(F)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 5163444 HQVHWEUSPULWCW-SSGOSMAHSA-N 403.475 3.063 0 40 HGAB Cc1csc(NC(=O)CSc2nnc3ccc(-c4ccc(F)cc4)nn23)n1 5168049 KVOZZFNUTNMKEW-UHFFFAOYSA-N 400.464 3.426 0 40 HGAB Cn1c(SCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)nnc1C(F)(F)F 6025430 DMRCIQSIOYAXDX-UHFFFAOYSA-N 401.439 3.303 0 40 HGAB CCOC(=O)C1=C(COC(=O)Cc2ccc(C)c(C)c2)NC(=O)N[C@@H]1c1ccccc1 6165326 GJYLVZZZSFJFQO-JOCHJYFZSA-N 422.481 3.260 0 40 HGAB COc1ccc(-n2nnnc2S[C@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)cc1 6651359 GMOUQHIHICXNIF-LLVKDONJSA-N 414.516 3.439 0 40 HGAB Cc1ccc(C(=O)CCC(=O)OCC(=O)N2c3ccccc3NC(=O)C2(C)C)cc1 6942220 RFHNDMOIZRJUDZ-UHFFFAOYSA-N 408.454 3.265 0 40 HGAB COc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3ccc4ccccc4c3)C2=O)cc1 7652653 NYTFYAADNLDPFC-HSZRJFAPSA-N 403.438 3.254 0 40 HGAB Cc1cccc2nc(C(=O)Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)cn12 7990361 MAEPBFAHFLDSOR-UHFFFAOYSA-N 413.484 3.152 0 40 HGAB COc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCC3)C2=O)cc(Cl)c1OC 8109977 UTYCRAGTNWIQEV-ZROIWOOFSA-N 410.879 3.016 0 40 HGAB CC(C)[C@H](NC(=O)CN1C(=O)CCOc2ccccc21)c1ccc2c(c1)OCCO2 8124806 SLFHOKRLNVEZAQ-QHCPKHFHSA-N 410.470 3.087 0 40 HGAB CCOc1cc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCN(C)C)ccc1O 8254280 LOTOVNLGYVCQDH-NRFANRHFSA-N 422.481 3.394 0 40 HGAB CCOc1cc2c(cc1CNC(=O)CCCn1c(=O)oc3ccccc31)O[C@@H](C)C2 8271490 PXQOBSASNWRJRV-HNNXBMFYSA-N 410.470 3.413 0 40 HGAB CCn1c(=O)c2ccccc2n(CC(=O)N(Cc2ccc(C(C)C)cc2)C2CC2)c1=O 9513784 NGIAXBNUGNBAMV-UHFFFAOYSA-N 419.525 3.498 0 40 HGAB COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CCCC3)c(Cl)c2)cc1 9526106 VODKJOHKFCSCCT-UHFFFAOYSA-N 424.906 3.151 0 40 HGAB Cc1cc(SCC(=O)OCC(=O)N2CC(=O)Nc3ccccc32)nc2ccccc12 9631034 NXIGXXIKSAJWGA-UHFFFAOYSA-N 421.478 3.164 0 40 HGAB O=C(CCNS(=O)(=O)c1ccccc1)Nc1ccc2c(c1)OC1(CCCC1)O2 11917658 ZDMAPVQPEGHBEG-UHFFFAOYSA-N 402.472 3.035 0 40 HGAB CCn1c(SCC(=O)Nc2cccc(Cl)c2)nnc1-c1cn(C)nc1OC 12422649 WIBGMXTUFFBDRJ-UHFFFAOYSA-N 406.899 3.091 0 40 HGAB C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccccc2N2CCCCC2)C1=O 12523357 LWSTYEHKQMLCRY-QHCPKHFHSA-N 406.486 3.083 0 40 HGAB C[C@H](OC(=O)[C@]12CCC(=O)N1c1ccccc1S2)C(=O)NCC1CCCCC1 12909258 UBZQQCLBPXZHJN-LHSJRXKWSA-N 402.516 3.244 0 40 HGAB CCc1ccc2nc(NC(=O)c3cccc(S(=O)(=O)NCCOC)c3)sc2c1 12935788 ZINPDTSWVZLZSK-UHFFFAOYSA-N 419.528 3.036 0 40 HGAB Cc1noc(C)c1S(=O)(=O)N[C@H](C)C(=O)Nc1ccc(Oc2ccccc2)cc1 13005932 ILJLLARWJRRNAE-CQSZACIVSA-N 415.471 3.389 0 40 HGAB COc1ccc(C(=O)O)cc1NC(=O)/C(=C/c1cccs1)NC(=O)c1ccco1 13576031 SNKDMTQKMBKPQQ-PTNGSMBKSA-N 412.423 3.458 0 40 HGAB Cc1ccc(N(CCCC(=O)NCCCN2CCC(C)CC2)S(C)(=O)=O)cc1C 13672482 FDJXJSQCQBUVGT-UHFFFAOYSA-N 423.623 3.088 0 40 HGAB CCOc1ccc(CNC(=O)[C@H](C)N(c2cc(C)ccc2C)S(C)(=O)=O)cc1 13674093 IQLMBYITVMIXFL-KRWDZBQOSA-N 404.532 3.173 0 40 HGAB COC(=O)Cn1c(SCC(=O)c2ccc3c(c2)CCC3)nc2ccccc2c1=O 14241273 DABDRPPPIMOGBC-UHFFFAOYSA-N 408.479 3.033 0 40 HGAB COc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)COc1ccccc1C 14291361 JGDSHKZIIKWXJS-UHFFFAOYSA-N 409.471 3.496 0 40 HGAB Cc1csc2ncc(C(=O)N3CCC[C@H](COc4ccc(F)cc4)C3)c(=O)n12 19240350 TVHAAYGZNBYGBG-AWEZNQCLSA-N 401.463 3.135 0 40 HGAB O=C1CC[C@]2(CCCN(C(=O)Cc3ccc4c(c3)OCCO4)[C@@H]2c2cccc(F)c2)N1 19294314 ZDXIQOQEZAZIBU-RPWUZVMVSA-N 424.472 3.152 0 40 HGAB O=C(c1cnccn1)N1C[C@H](c2ccc(CN3CCOCC3)cc2)[C@H]2CCCC[C@H]21 19334305 CHEMORQMPPMOPU-MQSCRBSSSA-N 406.530 3.107 0 40 HGAB CC(C)n1nccc1C(=O)NCCn1c(C(F)(F)F)cc(=O)c2cccc(F)c21 19454587 GXTSTDJJYHGBEB-UHFFFAOYSA-N 410.371 3.367 0 40 HGAB Cc1cc(-c2csc(NC(=O)CCN3C(=O)NC4(CCCC4)C3=O)n2)ccc1F 19570846 DKKRTNBSQCDIGP-UHFFFAOYSA-N 416.478 3.451 0 40 HGAB Cc1n[nH]cc1C(=O)N1CCC[C@@](Cc2ccccc2-c2cccs2)(C(N)=O)C1 19582343 PXZGVEGXEFJXIB-QFIPXVFZSA-N 408.527 3.397 0 40 HGAB Cc1occc1-c1nc(N2CCN(C(=O)c3ccco3)CC2)ncc1-c1cnccn1 19583043 KQQLAFCUJSDBKS-UHFFFAOYSA-N 416.441 3.057 0 40 HGAB CC(C)(C)c1nc2cc(NC(=O)CN3C(=O)N[C@@](C)(c4ccccc4)C3=O)ccc2[nH]1 19665720 VRNPGVXKVXFSCV-QHCPKHFHSA-N 419.485 3.266 0 40 HGAB Cc1nn(C)cc1C(=O)N1CCC([C@H]2CCCCN(CCc3ccccc3)C2=O)CC1 19743934 UYTIPBAHXZTNRF-JOCHJYFZSA-N 422.573 3.452 0 40 HGAB COc1cc(OC)cc(-c2n[nH]c(SCC(=O)Nc3ccc(C(C)=O)cc3)n2)c1 19928956 AAHIRUPQIDPVHI-UHFFFAOYSA-N 412.471 3.422 0 40 HGAB O=C1C[C@@H](c2nc3ccccc3n2CCN2CCOCC2)CN1Cc1ccc(F)cc1 21172084 GEQFKVJUXDGXQR-LJQANCHMSA-N 422.504 3.024 0 40 HGAB CCS(=O)(=O)N(C)c1cc(OC)c(OC)cc1C(=O)NC1CCCCCCC1 22253059 KBHSCTQRSHJBQH-UHFFFAOYSA-N 412.552 3.332 0 40 HGAB CCOc1cccc(N(CC(=O)N[C@H](CC)c2ccc(C)cc2)S(C)(=O)=O)c1 22398155 WHXIFILXTLFZIP-HXUWFJFHSA-N 404.532 3.427 0 40 HGAB CCc1ccc(S(=O)(=O)c2cnc3ccccc3c2N2CCC(C(N)=O)CC2)cc1 23704140 VEBFGPTWYNLVDK-UHFFFAOYSA-N 423.538 3.332 0 40 HGAB O=C(CN1CCN(c2ccc(C(F)(F)F)cn2)CC1)Nc1ccnn1C1CCCC1 23762318 LGQAFAABGMXUAN-UHFFFAOYSA-N 422.455 3.173 0 40 HGAB Cc1c(C(=O)COC(=O)c2ccc(S(=O)(=O)NC(C)C)cc2)oc2ccccc12 24956172 HLPUSGPNVKHIBF-UHFFFAOYSA-N 415.467 3.468 0 40 HGAB CC(C)c1ccc(CN(C(=O)C2CCN([C@H]3CCS(=O)(=O)C3)CC2)C2CC2)cc1 25052932 LOXGOXVDOZUNIH-QFIPXVFZSA-N 418.603 3.200 0 40 HGAB CN(CC(=O)Nc1ccccc1Cl)C(=O)CN1CCCc2cc(F)cc(F)c21 26725920 FCBFBVHQYKCANC-UHFFFAOYSA-N 407.848 3.468 0 40 HGAB O=C(CN1C(=O)NC2(CCC(c3ccccc3)CC2)C1=O)N1CCc2ccccc2C1 26779133 IBPMFXINJSRZDP-UHFFFAOYSA-N 417.509 3.220 0 40 HGAB COc1cc(NC(=O)CSc2nnc(-c3ccc(C)cc3)c(O)n2)cc(OC)c1 32778608 OIKLLBPVPKGXEX-UHFFFAOYSA-N 412.471 3.301 0 40 HGAB COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2 32991034 QDYMWKWAFKTQPU-XIKOKIGWSA-N 423.494 3.115 0 40 HGAB CN(CC(=O)N(Cc1ccccc1)c1nc2c(Cl)cccc2s1)S(C)(=O)=O 36711830 QNNRBNVYHVGFTF-UHFFFAOYSA-N 423.947 3.374 0 40 HGAB Cc1ccc(-c2nc(C(=O)Nc3cccc([C@@]4(C)NC(=O)NC4=O)c3)cs2)cc1 40111128 REAXGWCAOHZYCK-OAQYLSRUSA-N 406.467 3.425 0 40 HGAB Cc1ccc(CNC(=O)C2CCN(C(=O)c3cc4ccccc4[nH]c3=O)CC2)cc1F 40113917 ZKZSOVPKGKGBFT-UHFFFAOYSA-N 421.472 3.144 0 40 HGAB Cc1cccc(N(CC(=O)N2CCC(Cc3ccccc3)CC2)S(C)(=O)=O)c1 44791165 LMPMGJOBYHAFHJ-UHFFFAOYSA-N 400.544 3.242 0 40 HGAB COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)CSc1ccc(C)cc1 44902672 LYZLMGJBVMYKGV-UHFFFAOYSA-N 408.545 3.421 0 40 HGAB Cc1cc(C)c(OCC(=O)N2CCN(c3ccc(Br)cn3)CC2)c(C)c1 48265682 CVLDBFCGLNXHAS-UHFFFAOYSA-N 418.335 3.497 0 40 HGAB COc1ccccc1OCc1nnc(SCC(=O)N2CCc3ccccc32)n1C 48513792 QWRWLYQASNYYSZ-UHFFFAOYSA-N 410.499 3.084 0 40 HGAB Cc1ccc(F)cc1NC(=O)CSc1nc2[nH]ncc2c(=O)n1-c1ccccc1 51316717 KQISDSZVWNFHIZ-UHFFFAOYSA-N 409.446 3.287 0 40 HGAB Cc1cccc(N2CCN([C@H](C)C(=O)NCC(=O)Nc3c(C)cccc3C)CC2)c1C 57577204 JREYZTXZUKCKGJ-OAQYLSRUSA-N 422.573 3.186 0 40 HGAB Cc1nc(-c2ccc(NC(=O)N(Cc3cccnc3)C[C@H]3CCCO3)cc2)cc(=O)[nH]1 58105697 WNJHGZWWMLQUIW-HXUWFJFHSA-N 419.485 3.353 0 40 HGAB Cc1noc(C2CCN(C(=O)Cn3c(-c4ccc(F)cc4)c(C)sc3=O)CC2)n1 58292330 NHSPSTQQXQXNRU-UHFFFAOYSA-N 416.478 3.122 0 40 HGAB Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)c1cccc2c1OCCO2 60135910 MYNYYRPCMGSXHU-UHFFFAOYSA-N 419.275 3.239 0 40 HGAB Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)NCCNC(=O)OC(C)(C)C)c12 71287625 YOLFUNGAOXHWAP-UHFFFAOYSA-N 409.490 3.198 0 40 HGAB CCOc1ccc(NC(=O)[C@H](C)N2CCC[C@H](C(=O)Nc3ccc(C)cn3)C2)cc1 72308192 HPRPVFJLAFAMSV-ROUUACIJSA-N 410.518 3.466 0 40 HGAB Cc1nc([C@@H]2CCCN(C(=O)c3ccncc3)C2)ncc1C(=O)NCc1ccccc1 72346316 BHQXVAAHKSDVGG-HXUWFJFHSA-N 415.497 3.130 0 40 HGAB COc1ccccc1Cc1noc(C2CN(C(=O)Nc3ccc4c(c3)OCO4)C2)n1 77191382 JLLPBLPWUOUGJK-UHFFFAOYSA-N 408.414 3.029 0 40 HGAB COc1ccc(-c2nc(C(=O)Nc3ccc4c(c3)S(=O)(=O)CC4)cs2)cc1 83952317 MEIULRJYCSXMFM-UHFFFAOYSA-N 400.481 3.401 0 40 HGAB COc1cccc([C@@H](N)c2nc(-c3ccc(I)cc3)n[nH]2)c1 95533565 YSXVPIGZTJPRIB-CQSZACIVSA-N 406.227 3.133 0 40 HGAB CC(C)(C)c1cc(C(=O)NCc2ccnc(NC(=O)c3cc(C(C)(C)C)n[nH]3)c2)[nH]n1 96011998 QEPNDIWQIJQFTM-UHFFFAOYSA-N 423.521 3.305 0 40 HGAB Cc1cc(S(=O)(=O)N2CC[C@@H](S(=O)(=O)C(C)(C)C)C2)c(Cl)cc1Cl 96103437 WRAQGHDJRKRFKK-LLVKDONJSA-N 414.376 3.278 0 40 HGAB Cc1cc2nccc([C@H]3CC[C@H](CNC(=O)CN4Cc5ccccc5C4)CC3)n2n1 100159379 YKWFLWKWFPVGNO-KDURUIRLSA-N 403.530 3.444 0 40 HGAB COC(=O)Cn1/c(=N/C(=O)c2ccc3ncsc3c2)sc2cc(F)ccc21 100876514 HKPQNUKWMKOKDL-UZYVYHOESA-N 401.444 3.366 0 40 HGAB CC(=O)N1C[C@@H](C(=O)/N=c2/sccn2Cc2ccc(C)cc2)Oc2ccccc21 101425214 SHWWDSJVBSDLCI-UTTYWZDOSA-N 407.495 3.148 0 40 HGAB Cn1c(S)nc2cc(C(=O)NCc3cc(F)ccc3Br)ccc2c1=O 103687160 HWSFWKWIJZXIMP-UHFFFAOYSA-N 422.279 3.054 0 40 HGAB COc1ccc(N([C@H](C)C(=O)Nc2c(C)cc(C)cc2C)S(C)(=O)=O)cc1OC 220234171 VUVVEBCHGDUGEI-MRXNPFEDSA-N 420.531 3.422 0 40 HGAB CC[C@@H](C(=O)Nc1ccc(C(=O)OC)cc1)N(c1cc(C)cc(C)c1)S(C)(=O)=O 220562171 FRGXIWVBJZYPAD-IBGZPJMESA-N 418.515 3.273 0 40 HGAB COc1ccc([C@@H](C)NC(=O)c2ccc(C)c(N3CCCCS3(=O)=O)c2)cc1 222574485 VXBTZXYMGUCGTH-MRXNPFEDSA-N 402.516 3.425 0 40 HGAB Cc1cc(S(=O)(=O)NC(C)C)ccc1OCC(=O)N1c2ccccc2C[C@H]1C 222768816 MCAWAXQCDKTBJG-MRXNPFEDSA-N 402.516 3.038 0 40 HGAB CC(C)OCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)COc1ccccc1 222775657 QRHQNKSQQPPDHG-FQEVSTJZSA-N 412.530 3.414 0 40 HGAB CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCc1ccccc1Cl 223151083 FELZDARJEHWEJG-GOSISDBHSA-N 410.923 3.210 0 40 HGAB COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccccc1 223696157 KQQIOOVSVPCLKP-SFTDATJTSA-N 406.511 3.408 0 40 HGAB CC(C)c1ccccc1OCCNC(=O)[C@H](C)N(c1ccccc1)S(C)(=O)=O 223758823 XUIBGQYTTJZCDN-KRWDZBQOSA-N 404.532 3.160 0 40 HGAB COc1ccccc1[C@H](C)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 225313192 QGJTZTTVAYZLKV-KSSFIOAISA-N 422.934 3.379 0 40 HGAB COc1ccc(NC(=O)Cn2ccc(=O)c3cc(Br)ccc32)cc1OC 225729071 GBOJTSKDHDKLOJ-UHFFFAOYSA-N 417.259 3.420 0 40 HGAB C[C@@H]1CCCCN1c1cc(N2CCCCC2)nc(NC(=S)NC[C@@H]2CCCO2)n1 225907227 WGWCSNZHPUSFJD-SJORKVTESA-N 418.611 3.311 0 40 HGAB Cc1ncsc1C(=O)N[C@@H]1CCCC[C@]12CN(Cc1cnn(C(C)C)c1)CCO2 306129551 IGTOVVINPFXFGV-NQIIRXRSSA-N 417.579 3.173 0 40 HGAB O=C(Nc1ccccc1)c1nnc2n1C[C@@H]1CN(Cc3ccc(Cl)cc3)C[C@H]1C2 306136574 PXHLWRKVAIHQRS-SJORKVTESA-N 407.905 3.488 0 40 HGAB Cc1ccc(CN2CCC3(CC2)COCc2nnc(C(=O)N4CCCC[C@@H]4C)n23)cc1 306137606 RBEVKVLHWIDONW-IBGZPJMESA-N 423.561 3.123 0 40 HGAB Cc1ccc(Cl)cc1NC(=O)[C@@H](C)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 408704513 OTVYHUOFTCHLDP-CYBMUJFWSA-N 424.906 3.213 0 40 HGAB Cc1ccc(C(=O)COC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1 408857339 UJCPRXGMYFOLKX-GOSISDBHSA-N 421.902 3.228 0 40 HGAB COC(=O)[C@H](C)N1C(=O)S/C(=C\c2cc(Br)cc(Cl)c2O)C1=O 409076019 WONQVGOYPHLSGM-DZTYSLMWSA-N 420.668 3.406 0 40 HGAB O=C1N(C[C@@H]2CCCOC2)c2ccccc2S(=O)(=O)N1Cc1ccc(F)cc1 1888929338 KMIPXWFQVZKEPF-INIZCTEOSA-N 404.463 3.383 0 40 HGAB Cc1cnc(C(=O)N2CCC(c3ccc4cc(-c5cncnc5)cnc4n3)CC2)cn1 1891489600 KTNBFMVSLYCFCL-UHFFFAOYSA-N 411.469 3.205 0 40 HGAB CC(C)NC(=O)[C@@H](C)N1CCN(c2ccc3ccc(Br)cc3n2)CC1 2086868865 SSLPIOGYTOXRHZ-CQSZACIVSA-N 405.340 3.032 0 40 HGAB O=C(Nc1ccc(Br)cc1)[C@H]1C[C@H](O)CN1C(=O)Oc1ccccc1 862002 MGKGRYYZYHUJIB-GOEBONIOSA-N 405.248 3.022 0 40 HGAB COc1cc(-c2cc(=O)c3cc(O)ccc3o2)cc(I)c1O 1106322 KLQBDBAZDWSLEW-UHFFFAOYSA-N 410.163 3.484 0 40 HGAB biogenic Cc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1 1106721 MMJKGQXPQUREEH-UHFFFAOYSA-N 408.545 3.361 0 40 HGAB CCCn1c(SCC(=O)Nc2cccc(NC(C)=O)c2)nnc1-c1ccccn1 1362822 UTPOCTKFUPUWFU-UHFFFAOYSA-N 410.503 3.439 0 40 HGAB CCCC[C@@H](NC(=O)[C@@H](C)Oc1cc(C)cc2oc(=O)c3c(c12)CCC3)C(=O)O 2105365 WTWUMCLAIXHOQK-CZUORRHYSA-N 401.459 3.117 0 40 HGAB biogenic Cc1cc(C)n(-c2nc3ccccc3c(=O)n2OCCOc2ccc(Cl)cc2)n1 2336393 VGZNBMRVHCQHRQ-UHFFFAOYSA-N 410.861 3.360 0 40 HGAB CCOC(=O)c1ccccc1C(=O)c1cccc(CN2CCC3(CC2)OCCO3)c1 2515223 VEZBUNDOAZDLJS-UHFFFAOYSA-N 409.482 3.433 0 40 HGAB Cc1cc(C(C)(C)C)ccc1OC[C@H](O)CN[C@@H](C)c1ccc(S(N)(=O)=O)cc1 2631280 ODDFIUJTAGTZCI-QFBILLFUSA-N 420.575 3.030 0 40 HGAB CC1CCN(C(=O)CSc2nc3c(c(=O)n2-c2ccccc2)SCC3)CC1 2719663 NYTKEOIKEDJXTJ-UHFFFAOYSA-N 401.557 3.231 0 40 HGAB COc1cc(/C=C2\C(=O)Nc3ccccc32)c(Br)cc1OCC(=O)O 2752529 VOHWIRBZDBYESO-SDQBBNPISA-N 404.216 3.414 0 40 HGAB C[C@@H](OC(=O)Cc1ccc2c(c1)OCCO2)C(=O)Nc1ncc(Cl)cc1Cl 3450874 PWZZIXVYFLKYJX-SNVBAGLBSA-N 411.241 3.273 0 40 HGAB O=C(NCCc1ccccc1)[C@H](c1cccs1)N(C(=O)c1csnn1)C1CC1 4356348 NNIXVUGBUAOGKJ-SFHVURJKSA-N 412.540 3.304 0 40 HGAB COc1cc(/C=C/C(=O)OCC(=O)NCc2ccc(F)cc2)ccc1OC(F)F 4550207 DXOJIAAHZDUCLA-WEVVVXLNSA-N 409.360 3.309 0 40 HGAB Cc1ccc(N(CC(=O)NC(C)C)C(=O)CCC(=O)Nc2nccs2)cc1C 4848333 MLJRPPXSCCXVOU-UHFFFAOYSA-N 402.520 3.036 0 40 HGAB CC(C)(C)NC(=O)[C@H](c1ccccn1)N(C(=O)c1csnn1)c1ccccc1F 4858780 HKMDGSTVQUDCFP-KRWDZBQOSA-N 413.478 3.375 0 40 HGAB O=S(=O)(c1cnc(Cl)c(Cl)c1)N1CCc2cc3c(cc2C1)OCCCO3 5347211 GIQBRLJRQGSFRZ-UHFFFAOYSA-N 415.298 3.297 0 40 HGAB COC(=O)[C@@](NC(=O)c1ccccc1Cl)(Nc1ncccc1C)C(F)(F)F 6090737 LGOAIOVYQZUCSH-INIZCTEOSA-N 401.772 3.317 0 40 HGAB CCc1ccc(OCc2nnc(SCC(=O)NCCc3ccccc3)n2C)cc1 6225370 QUQGRQOSRATOAA-UHFFFAOYSA-N 410.543 3.408 0 40 HGAB COc1ccc(COC(=O)[C@H]2CS[C@@]3(c4ccccc4)CCC(=O)N23)cc1F 6450394 UTVADMXXLGRNCX-DYESRHJHSA-N 401.459 3.468 0 40 HGAB CCOC(=O)c1sc2ncn(CC(=O)N(c3ccccc3)C(C)C)c(=O)c2c1C 6497607 KZLMHWSCOAMUFT-UHFFFAOYSA-N 413.499 3.385 0 40 HGAB CC(=O)NC(=S)Nc1ccc(NC(=S)NC(=O)c2ccc(C)cc2C)cc1 6964504 XKDCDORHIZULIR-UHFFFAOYSA-N 400.529 3.263 0 40 HGAB CCCCOC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)cc1 7323308 XDNGPJXSBNULFB-UHFFFAOYSA-N 416.499 3.353 0 40 HGAB O=C(CN1CCN(c2ccccn2)CC1)Nc1ccccc1C(=O)Nc1ccccc1 7448567 DIZQGSDQCZZMKG-UHFFFAOYSA-N 415.497 3.095 0 40 HGAB COc1cc(/C=C/C(=O)O[C@@H](C)C(=O)Nc2ccc(C)c(F)c2)cc2c1OCCO2 7872948 BOKGBMPMWXVKIH-DYLGSBMWSA-N 415.417 3.498 0 40 HGAB Cc1ccc(N2C[C@H](C(=O)OCC(=O)N[C@@H](C)c3ccccc3)CC2=O)cc1Cl 7940056 LOAUWRQCTQLGGH-DOTOQJQBSA-N 414.889 3.422 0 40 HGAB C[C@@H]1CCC[C@H](NC(=O)CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)[C@@H]1C 7976621 ZBKUHMZZMFGGLW-OPYAIIAOSA-N 419.525 3.423 0 40 HGAB O=S(=O)(NC[C@@H](c1ccccc1)S(=O)(=O)c1cccs1)c1cccs1 8038096 ZDJFVZPHBKPSMD-AWEZNQCLSA-N 413.567 3.303 0 40 HGAB C[C@H](Sc1nnnn1C1CCCC1)C(=O)N1c2ccccc2NC(=O)C1(C)C 8314949 GYPMYOYVWPQKPL-LBPRGKRZSA-N 400.508 3.033 0 40 HGAB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3nnc(C)s3)cc2)cc1 8391290 QCKBINPBNCKPCP-UHFFFAOYSA-N 402.501 3.232 0 40 HGAB COc1cc2c(cc1OC)CN(C(=O)NCCC(=O)NC1CCCCCC1)CC2 9305631 ACHFLKCICCHBKQ-UHFFFAOYSA-N 403.523 3.001 0 40 HGAB C[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(=O)Nc1ccccc1C(=O)N1CCCC1 9477200 DMYNITUEKWQSJT-MRXNPFEDSA-N 418.497 3.090 0 40 HGAB COc1cc(NC(=O)CSc2nnc(-c3ccccc3Cl)n2N)cc(OC)c1 9509104 BMTFSQJVYFZGHR-UHFFFAOYSA-N 419.894 3.060 0 40 HGAB Cc1cccc(-n2ncc3c(=O)[nH]c(SCC(=O)N4CCc5ccccc54)nc32)c1 9522386 MHFLEHNIKJSNDN-UHFFFAOYSA-N 417.494 3.099 0 40 HGAB COc1ccc(C(=O)NCc2ccc(C)cc2)cc1S(=O)(=O)NCc1ccccc1 9668041 KCGZHWOOMZZUMW-UHFFFAOYSA-N 424.522 3.412 0 40 HGAB COC(=O)c1ccsc1NC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 9722531 ZTEGFHJMCCLRMH-UHFFFAOYSA-N 422.528 3.352 0 40 HGAB Cc1ccc(C)c(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(Br)cc2)c1 10041138 ATUVSECZTRHNAH-ZDUSSCGKSA-N 411.321 3.371 0 40 HGAB COc1ccccc1NC(=O)N1CCN(c2ccc(Nc3cc(C)ccn3)nn2)CC1 11696941 CJYGOEQICIBFSJ-UHFFFAOYSA-N 419.489 3.286 0 40 HGAB Cc1ccc(-c2cc(C(=O)N(Cc3ccccc3)[C@H]3CCS(=O)(=O)C3)no2)cc1 11917536 JWUJGQFTHIFSSV-IBGZPJMESA-N 410.495 3.480 0 40 HGAB COc1ccc(CC(=O)N[C@@H]2C[C@]3(CCC(=O)N(C)CC3)Oc3ccccc32)cc1 12086411 ZRHXGLWBQUVRFW-HYBUGGRVSA-N 408.498 3.259 0 40 HGAB CCCCc1nc(CN2CCc3c(nc(N4CCC[C@@H](C)C4)[nH]c3=O)C2)c(Cl)[nH]1 12087381 OFXBUKIVVBFMIY-CQSZACIVSA-N 418.973 3.284 0 40 HGAB CCn1c(SCc2nc(-c3ccc4c(c3)OCO4)no2)nc2ccccc2c1=O 12415711 UBCCWTJPOVJOGC-UHFFFAOYSA-N 408.439 3.487 0 40 HGAB COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)c1cncn1-c1ccc(F)cc1 12603203 IQYVBYGYRUXJDU-UHFFFAOYSA-N 416.840 3.384 0 40 HGAB Cn1cc(C(=O)Nc2ccc(N3CCCC3)nc2)c(-c2ccc3c(c2)OCCCO3)n1 12776992 QICNBVMHAIEXRT-UHFFFAOYSA-N 419.485 3.496 0 40 HGAB O=C(Nc1ccc(C(=O)NC2CC2)cc1)c1cccc(I)c1 12906301 ORAMNFXMMLAOLF-UHFFFAOYSA-N 406.223 3.436 0 40 HGAB COc1cc(OC)c(NC(=O)CSc2nc3ccccc3c(=O)n2C)cc1Cl 12915537 NASTWLURXFCYDE-UHFFFAOYSA-N 419.890 3.335 0 40 HGAB CCc1cccc2c(C3=CCN(S(=O)(=O)N4C[C@H](C)O[C@@H](C)C4)CC3)c[nH]c12 12933650 HOXFHMDZUQRRQX-HOTGVXAUSA-N 403.548 3.173 0 40 HGAB C[C@H]1CCc2[nH]c3ccc(C(=O)N[C@H](C)c4ccc(S(N)(=O)=O)cc4)cc3c2C1 12974250 SJNXVNQXATWRDI-UONOGXRCSA-N 411.527 3.431 0 40 HGAB CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1(c2cccc(Cl)c2)CC1 12980315 JIEWGOFJAHKGDD-UHFFFAOYSA-N 404.919 3.211 0 40 HGAB O=C(NC[C@H](c1cccs1)N1CCOCC1)c1nn(-c2ccccc2)c2c1CCC2 13005679 ZHTZZKYGNUVQMY-HXUWFJFHSA-N 422.554 3.226 0 40 HGAB Cc1ccc(C(=O)NCC(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)cc1 13097685 NJZVLDBRUSHAGK-UHFFFAOYSA-N 403.486 3.348 0 40 HGAB COc1cccc(Nc2nc(N)nc(CSc3nnc4[nH]c5ccccc5n34)n2)c1 13638546 MQXFBGHSUHMBDV-UHFFFAOYSA-N 419.474 3.022 0 40 HGAB Cc1cccc(CNC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)c3ccccc3O2)c1 13674950 IZBVPENUXPNRDJ-JOCHJYFZSA-N 422.506 3.268 0 40 HGAB CC[C@@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1 13681512 ZZWBSFYVGCVFBM-OCCSQVGLSA-N 407.363 3.450 0 40 HGAB NC(=O)c1ccc(NC(=O)c2cccn(Cc3ccc(C(F)(F)F)cc3)c2=O)cc1 15882870 CSAKFPKMOMSACZ-UHFFFAOYSA-N 415.371 3.267 0 40 HGAB CCOC(=O)c1c(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nc(=O)[nH]c1C 15883385 RZYUNYKTNRVDAD-UHFFFAOYSA-N 416.286 3.293 0 40 HGAB Cc1nc(-c2cccc(F)c2)sc1CCNC(=O)CN1C(=O)c2ccccc2C1=O 16992215 SWDQVOKKDYBVQG-UHFFFAOYSA-N 423.469 3.213 0 40 HGAB CCOC(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CCCN(C(=O)[C@H]2CCCO2)C1 19529922 BNVHCVBUCPPHEX-NFBKMPQASA-N 412.486 3.235 0 40 HGAB COc1cc(CC(=O)N2CCC[C@@H]2c2n[nH]cc2-c2ccncc2)cc(OC)c1OC 19549637 KHDNZDVRMBLTFR-GOSISDBHSA-N 422.485 3.404 0 40 HGAB COc1ccc(CNC(=O)c2cc([C@H]3CCCN(Cc4cnn(C)c4C)C3)no2)cc1 19553687 KGDJDXXQODPCAN-SFHVURJKSA-N 423.517 3.035 0 40 HGAB COc1ccc(Cn2nnnc2[C@H](c2ccccn2)N2CCc3ccccc3C2)cc1 19556149 ODUKHJRSORAGIY-QHCPKHFHSA-N 412.497 3.273 0 40 HGAB Cc1ncsc1-c1nnc(C2CCN(C(=O)Cc3ccc4c(c3)OCO4)CC2)o1 19563140 MHTYTDJFWSSNOO-UHFFFAOYSA-N 412.471 3.179 0 40 HGAB CCn1cnc2sc(C(=O)NC[C@H](c3cccc(Cl)c3)N(C)C)c(C)c2c1=O 19660305 ZNNVSZYHKLEFAS-OAHLLOKOSA-N 418.950 3.472 0 40 HGAB COc1ccc(-n2c(=O)[nH]c3sc4c(c3c2=O)CCN(Cc2ccccc2)C4)cc1 19819688 AEWZJCZZFZEGGF-UHFFFAOYSA-N 419.506 3.307 0 40 HGAB COc1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccc(F)cc3)C2)c1 19862439 KYESHCNXDUFBDK-INIZCTEOSA-N 406.479 3.015 0 40 HGAB Cc1ccc(N([C@H](C)C(=O)NCc2ccc(OC(C)C)cc2)S(C)(=O)=O)cc1 20110337 ROTCFBIDAFUBIU-QGZVFWFLSA-N 404.532 3.253 0 40 HGAB CN(C)S(=O)(=O)N(C)c1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1 20245643 FOXDVVAHESZJKK-UHFFFAOYSA-N 401.410 3.200 0 40 HGAB O=c1[nH]c(=O)n(Cc2ccccc2Cl)c2c1CN(Cc1ccccc1Cl)CN2 20573571 TWOQMPDVFBVWOR-UHFFFAOYSA-N 417.296 3.277 0 40 HGAB COc1ccc([C@H]2N=C3NCN(C(C)C)CN3c3nc4ccccc4n32)cc1OC 20638606 CKHZVRFPNZQSAA-FQEVSTJZSA-N 406.490 3.005 0 40 HGAB O=C(CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)Nc1ccccc1-c1ccccc1 22198817 RUGLSSWHZLWJJF-QFIPXVFZSA-N 407.514 3.005 0 40 HGAB CCS(=O)(=O)N(C)c1cc(OC)c(OC)cc1C(=O)Nc1cc(F)ccc1F 22253179 TYNIDMCJHZMIIH-UHFFFAOYSA-N 414.430 3.020 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@@H](C)c3ccc(F)cc3)C2)cc1 22539841 CKMDWUUIJKVABG-FUHWJXTLSA-N 404.507 3.412 0 40 HGAB CNC(=O)[C@@H]1CN(Cc2nc(-c3cccc(C(F)(F)F)c3)no2)c2ccccc2O1 24954593 HEHHWZJTELNYOX-INIZCTEOSA-N 418.375 3.269 0 40 HGAB C[C@@H](C(=O)NCC(C)(c1ccccc1)c1ccccc1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 26455599 GDXPUSCZEHSYES-YUXAGFNASA-N 416.521 3.449 0 40 HGAB CSCC[C@H](NC(=O)c1ccccc1Br)C(=O)NCc1cccnc1 28200324 LBYCFOUVMGWKFU-INIZCTEOSA-N 422.348 3.012 0 40 HGAB CCOC(=O)N1CCC(NC(=O)c2ccccc2N(C)C(=O)c2cccs2)CC1 28433955 JYIPHSIWUTZENF-UHFFFAOYSA-N 415.515 3.375 0 40 HGAB Cc1cc(C)n2ncc(C(=O)Nc3cc4c(cc3Br)OCCO4)c2n1 30112049 QHUYTKMHWGVMHG-UHFFFAOYSA-N 403.236 3.132 0 40 HGAB Cc1cc(N2CCN(C(=O)Cc3csc(-c4ccccn4)n3)CC2)nc(C(C)C)n1 31493879 ZQXCPLCOOJUSHK-UHFFFAOYSA-N 422.558 3.318 0 40 HGAB CNC(=O)c1ccc(CN(C)C(=O)[C@@H]2CC(=O)N(c3cccc(C(C)C)c3)C2)cc1 31526802 GTFZVNYBRBPESQ-HXUWFJFHSA-N 407.514 3.181 0 40 HGAB Cc1nn(-c2ncnc3[nH]cnc23)c2c1[C@H](c1ccccc1C(F)(F)F)CC(=O)N2 31808056 LTYIMAYNKCSBRC-NSHDSACASA-N 413.363 3.340 0 40 HGAB CCN(CC)C(=O)CCCNC(=O)c1nn(-c2ccc(F)cc2)c2c1CCCC2 32931698 BMTIGJFLAFSRIH-UHFFFAOYSA-N 400.498 3.269 0 40 HGAB CC(=O)N/C(=C/c1ccccc1)C(=O)OCC(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2 34713588 CAYHWTMJZDSYLP-KYIRISFYSA-N 424.541 3.428 0 40 HGAB O=S(=O)(c1cccnc1)N1CCC[C@@H](c2nnc(Cc3ccccc3)s2)C1 36705278 IKDFAUCJHQOURJ-MRXNPFEDSA-N 400.529 3.092 0 40 HGAB Cc1cccc(NC(=O)CN2C(=O)N[C@@](C)(c3cccc(C(F)(F)F)c3)C2=O)c1 40116879 MWYFKKGKFRENRT-IBGZPJMESA-N 405.376 3.420 0 40 HGAB O=C(CCc1nnc(-c2ccsc2)o1)NCCC(=O)N1CCCc2ccccc21 40122556 RUQFMQDHIFELBS-UHFFFAOYSA-N 410.499 3.216 0 40 HGAB CC(C)CNC(=O)[C@H]1CCCN(C(=O)c2cnc(OCC(F)(F)F)c(Cl)c2)C1 48342706 DBXIYGQEUDFXEG-LBPRGKRZSA-N 421.847 3.301 0 40 HGAB O=C(c1ccc(O)cc1)C1CCN(C(=O)Nc2cccc(N3CCOC3=O)c2)CC1 58106285 RKUOLHJDBPDULN-UHFFFAOYSA-N 409.442 3.476 0 40 HGAB COc1ccc(/C=C2\CC(=O)N(c3ccc(NC(C)=O)cc3)C2=O)c(OC)c1OC 71280775 HLXWVTZORMRBEY-RVDMUPIBSA-N 410.426 3.018 0 40 HGAB COCc1nnc(NC(=O)c2cn(Cc3ccccc3)c(=O)c3ccccc23)s1 71285550 FYUFDIFWDIZRPT-UHFFFAOYSA-N 406.467 3.300 0 40 HGAB O=S(=O)(c1ccc(NCc2ccnc(OCc3ccccc3)c2)nc1)N1CCCC1 71954521 NITFLDBCAHAGCJ-UHFFFAOYSA-N 424.526 3.452 0 40 HGAB COc1ccccc1CN(CCO)C(=O)Nc1ccc([S@@](=O)C(F)(F)F)cc1 72314265 AHMPNTBGCAKQOJ-NDEPHWFRSA-N 416.421 3.349 0 40 HGAB O=S(=O)(c1cn[nH]c1)N1CCC[C@H](c2cccc(Cc3ccccc3F)n2)C1 72350425 KVIYRHODZDFYEH-INIZCTEOSA-N 400.479 3.103 0 40 HGAB O=C(Nc1cc(Cl)ccc1O)c1ccc(Cn2nnc3ccccc3c2=O)cc1 72404349 NQMDSWJLFIXXRI-UHFFFAOYSA-N 406.829 3.451 0 40 HGAB O=C(NCC1(c2cccc(C(F)(F)F)c2)CCCC1)N[C@H]1CCS(=O)(=O)C1 84364343 HBBDGTPJPBNOGG-HNNXBMFYSA-N 404.454 3.004 0 40 HGAB CC[C@@H](NC(=O)Cn1nnc(-c2cccc(C(=O)OC)c2)n1)c1ccc(Cl)cc1 84734053 XXFHTCQGCNQLOV-QGZVFWFLSA-N 413.865 3.048 0 40 HGAB Cc1ccnc(-n2cc(S(=O)(=O)Nc3ccc(Br)c(C)c3)cn2)c1 89701864 JVFICMMDAOBPCO-UHFFFAOYSA-N 407.293 3.447 0 40 HGAB CCCCS(=O)(=O)NCC(=O)N(C)c1nc2c(s1)C[C@@H](c1ccccc1)CC2 89954832 XFFQHJURGLYPTL-INIZCTEOSA-N 421.588 3.098 0 40 HGAB C[C@H](NS(C)(=O)=O)C(=O)Nc1nc(-c2ccc3c(c2)Cc2ccccc2-3)cs1 95373577 GHNCFDCSXDXBTB-LBPRGKRZSA-N 413.524 3.258 0 40 HGAB CCN(CCC1CCN(C(=O)CNC(=O)NCc2ccc(F)cc2)CC1)CC(C)C 95459636 VTNAIGNMCSBYMS-UHFFFAOYSA-N 420.573 3.232 0 40 HGAB COc1cccc([C@H](N)c2nc(-c3ccc(I)cc3)n[nH]2)c1 95533564 YSXVPIGZTJPRIB-AWEZNQCLSA-N 406.227 3.133 0 40 HGAB CCS(=O)(=O)NC1CCN(c2nc(C(F)(F)F)nc3sc(C)c(C)c23)CC1 95949008 DKKSBLFOBZNTFM-UHFFFAOYSA-N 422.498 3.235 0 40 HGAB O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C(=O)N1CN(C(=O)C(F)(F)F)c1cccc(Cl)c1 100395257 PKABERWKDXAODB-SJJUBHFPSA-N 424.806 3.246 0 40 HGAB COc1ccc(-c2noc(CNC(=O)COc3ccc(Cl)c(C)c3)n2)c(OC)c1 218941998 ITSXHIQIDIEJHH-UHFFFAOYSA-N 417.849 3.411 0 40 HGAB Cc1[nH]c(C)c([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C)c1I 222725942 MZZLWNPJJZKVMS-ZIAGYGMSSA-N 412.300 3.233 0 40 HGAB COc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCCc3ccco3)cc2)cc1 223987807 OVOBNUQCUNZNBV-UHFFFAOYSA-N 414.483 3.452 0 40 HGAB CCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CCc1ccc2c(c1)OCO2 224390544 QBPIQXLWBQSLGL-IBGZPJMESA-N 414.477 3.431 0 40 HGAB CCn1c2ccccc2c2cc(NS(=O)(=O)c3nnc(NC(C)=O)s3)ccc21 224779376 WTDLBVXBVCWPJB-UHFFFAOYSA-N 415.500 3.425 0 40 HGAB CCn1c(=O)sc2cc(S(=O)(=O)Nc3nnc(SC(C)C)s3)ccc21 225700489 IKMLJDFDWXFITP-UHFFFAOYSA-N 416.575 3.236 0 40 HGAB CCOc1ccc(NC(=O)[C@]2(C)CCN(c3ccc(OC)cc3)S2(=O)=O)cc1 225950041 ORECKGMLJRKUBF-FQEVSTJZSA-N 404.488 3.031 0 40 HGAB COc1cc(C)nc(NC(=S)NCC2(c3cccc(Cl)c3)CCOCC2)n1 225999080 ZJSDJWSYVZBOBB-UHFFFAOYSA-N 406.939 3.482 0 40 HGAB Cc1c(Cl)cccc1S(=O)(=O)NC[C@@H](c1ccco1)N1CCSCC1 244950788 FLSMQLKXKGXIEE-HNNXBMFYSA-N 400.953 3.310 0 40 HGAB CSc1ccccc1NC(=O)C(=O)NC[C@](O)(c1ccoc1)c1cccs1 244983919 IXOXUKINCVPNLB-IBGZPJMESA-N 402.497 3.054 0 40 HGAB O=C(COc1ccc2c(c1)OCO2)N1CCCC2=C[C@H]3C[C@H](CN4CCCC[C@@H]34)[C@@H]21 257199158 VBSIUGOTPKTTKF-KTXJPYHWSA-N 410.514 3.216 0 40 HGAB CC(=O)N1CCN(Cc2ccnc(N3CCCC3)n2)[C@H](c2ccc(OC(C)C)cc2)C1 257271785 MZTKRNKWFQMRDU-QHCPKHFHSA-N 423.561 3.269 0 40 HGAB Cc1nn(C)cc1S(=O)(=O)N1CCC[C@@H](c2ncc(Cc3ccc(F)cc3)o2)C1 257292823 QNCDTAQYLNEDGH-MRXNPFEDSA-N 418.494 3.015 0 40 HGAB Cn1nccc1[C@@H]1CN(Cc2ccncc2)C[C@]12CCCN(Cc1ccccc1)C2=O 306133429 MLAUJOGDVSJVBV-WIOPSUGQSA-N 415.541 3.224 0 40 HGAB O=C(c1ccccn1)N1CCN(c2cnn3ccc(-c4ccc(F)cc4)cc23)CC1 306141260 VQANCCNXSPROMX-UHFFFAOYSA-N 401.445 3.498 0 40 HGAB CC[C@H](C)NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1cc(C)ccc1OC 408585179 CGJVWOSEYTUUNN-HNNXBMFYSA-N 408.495 3.253 0 40 HGAB CCS(=O)(=O)N(C)c1ccc(C(=O)Nc2ccc(Cl)c(C(=O)OC)c2)cc1 408705260 AQPGKEWMZHXUSB-UHFFFAOYSA-N 410.879 3.165 0 40 HGAB CC(C)N1C(=O)S/C(=C/c2ccc(OCC(=O)O)c(Br)c2)C1=O 409024855 YARWYTFUDCIADS-WUXMJOGZSA-N 400.250 3.357 0 40 HGAB COc1ccc(CN2C(=O)Cc3c(C)nc([C@H]4CCN(C(=O)CC(C)C)C4)nc32)cc1 607854659 CDLVAEJFWDLKRY-SFHVURJKSA-N 422.529 3.245 0 40 HGAB CCc1c(C(=O)Nc2cc(NC(=O)CN3CCCC[C@H]3C)ccc2F)cnn1C 614671603 SSGYSPLXZADTNH-CQSZACIVSA-N 401.486 3.187 0 40 HGAB Cc1cccc(CN2CCCCCc3cc(F)ccc3OC[C@@H](O)[C@@H](O)CC2)n1 1615155993 ATAXEMLLKQRMTM-FCHUYYIVSA-N 402.510 3.248 0 40 HGAB O=C(c1ccc(OC(F)(F)F)cc1Br)N1C[C@@H](O)CC(F)(F)C1 1615610886 PYURTRVPHYMIAL-ZETCQYMHSA-N 404.129 3.190 0 40 HGAB CC1(C)[C@H](c2cc(F)c(F)c(F)c2)CCN1C(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 1646181644 IJIAHZBTUJUENW-LBPRGKRZSA-N 417.387 3.042 0 40 HGAB Cc1nc2c(c(N3CCCN(c4ccc5nc(C(C)(C)C)cn5n4)CC3)n1)CCC2 2298091165 HNMLOAIFMVTVIE-UHFFFAOYSA-N 405.550 3.331 0 40 HGAB CS(=O)(=O)N1CCN(c2ccc(NC(=O)c3cccc4ccccc34)cc2)CC1 725013 SSMNHDJEVVWMQT-UHFFFAOYSA-N 409.511 3.174 0 40 HGAB COc1ccc([C@@H]2C(C(=O)Nc3ccccc3OC)=C(C)Nc3ncnn32)c(OC)c1 807878 NHGBKPMVWGKYJP-HXUWFJFHSA-N 421.457 3.232 0 40 HGAB CN(C)c1ccc(C(=O)CCCN2CCC3(CC2)C(=O)NCN3c2ccccc2)cc1 1688516 ANJCAQHRFDMAEC-UHFFFAOYSA-N 420.557 3.144 0 40 HGAB COc1ccc(NC(=O)CSc2nnc(-c3cccc(OC(C)C)c3)n2N)cc1 2445611 CSDJRSFNUFAKKG-UHFFFAOYSA-N 413.503 3.186 0 40 HGAB CCOc1ccccc1-n1nnnc1SCC(=O)NCc1ccc(Cl)cc1 3497030 QXTXGJHKXQXINF-UHFFFAOYSA-N 403.895 3.123 0 40 HGAB COc1ccc2[nH]c3c(c2c1)CCN1C(=O)CN(CCc2ccccc2F)C(=O)[C@]31C 4062255 MNVRBQFUILJAPI-DEOSSOPVSA-N 421.472 3.000 0 40 HGAB biogenic Cc1cccc2cc(CN(Cc3cccnc3)C(=S)NCCCN(C)C)c(=O)[nH]c12 4127155 ZSIAZVSWMSWJIF-UHFFFAOYSA-N 423.586 3.060 0 40 HGAB CCOc1ccc([C@@H]2[C@@H](C(=O)OC(C)C)C(=O)C[C@@](C)(O)[C@@H]2C(=O)OC(C)C)cc1 4142666 UMLFZCYFMXRADE-QTDGGUCWSA-N 420.502 3.028 0 40 HGAB COc1ccc([C@H]2c3c([nH]c(=O)[nH]c3=O)Nc3ccc4ccccc4c32)cc1OC 4459141 PGUDQFZDQCLXMT-GOSISDBHSA-N 401.422 3.471 0 40 HGAB CCOC(=O)/C=C/C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1 4599243 IIYUIYLVLKSQDM-VAWYXSNFSA-N 402.472 3.162 0 40 HGAB Cc1cc(I)ccc1NC(=O)COC(=O)c1ccc(O)cc1 5061186 JFMBBILWHJWYPN-UHFFFAOYSA-N 411.195 3.101 0 40 HGAB CCOc1ccc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCOC)cc1OC 6752803 DGZHMSSCMBVOAT-QFIPXVFZSA-N 423.469 3.381 0 40 HGAB CC(C)Cn1c(=O)c2ccccc2n2c(CCC(=O)NCc3ccc(F)cc3)nnc12 6803136 XXVWFAZTDPUHBL-UHFFFAOYSA-N 421.476 3.088 0 40 HGAB Cc1cc(C)cc(O[C@H](C)C(=O)N(Cc2ccc(C)o2)[C@@H]2CCS(=O)(=O)C2)c1 6810330 NXQCNQQBQSZOFD-QZTJIDSGSA-N 405.516 3.188 0 40 HGAB COc1cccc(CNC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc2)c1 7155589 WHWALPAZGQIDQZ-IAGOWNOFSA-N 416.543 3.292 0 40 HGAB CCN(CC)c1nc2ccccc2n(CC(=O)Nc2ccc3c(c2)OCCCO3)c1=O 7984448 FZDWROLSDXRZLT-UHFFFAOYSA-N 422.485 3.043 0 40 HGAB Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)c(C)n1C(C)C 8109349 RVMSHAZGPNJADV-UHFFFAOYSA-N 423.966 3.486 0 40 HGAB CS(=O)(=O)N(CCc1ccccc1)CC(=O)Nc1cc(Cl)ccc1Cl 8169474 OKGBSBFXGQYGED-UHFFFAOYSA-N 401.315 3.436 0 40 HGAB CCCn1c(SCC(=O)Nc2ccc(NC(C)=O)cc2)nc2ccccc2c1=O 8195403 ZDBBKLXNQZIBQJ-UHFFFAOYSA-N 410.499 3.496 0 40 HGAB Cc1ccc(-n2nnnc2SCC(=O)c2cccc(N3CCCC3=O)c2)cc1C 8255588 YNPYHIVQKHSPAB-UHFFFAOYSA-N 407.499 3.381 0 40 HGAB CC(C)[C@@H](NC(=O)CSc1nnc(C2CC2)n1C)c1ccc2c(c1)OCCCO2 8323875 FTGIKSBBJVJGIV-LJQANCHMSA-N 416.547 3.459 0 40 HGAB COc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3ccc(Cl)cc3)n2N)cc1 8754061 QDMGMTASHMJTEA-NSHDSACASA-N 403.895 3.440 0 40 HGAB C[C@@H](Cc1nnc(NC(=O)CS(=O)(=O)c2ccccc2)s1)c1ccccc1 9095513 QIVNFAYPUUJIPU-AWEZNQCLSA-N 401.513 3.297 0 40 HGAB Cc1ccc(OCCNC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)cc1 9377965 ISDUEUNMWRAKCS-UHFFFAOYSA-N 416.543 3.369 0 40 HGAB Cc1ccc(Cn2c(=O)c3c(nc4n3CCN4c3ccc(C)cc3C)n(C)c2=O)cc1 10104797 LIUKZTSAHIKKGG-UHFFFAOYSA-N 415.497 3.022 0 40 HGAB COc1ccc(N([C@@H](C)C(=O)Nc2cccc(C(C)=O)c2)S(C)(=O)=O)cc1Cl 10357331 MAQGTPHATLPHKR-LBPRGKRZSA-N 424.906 3.344 0 40 HGAB O=C(CCC(=O)N1CCN(c2nccs2)CC1)c1ccc(Br)cc1 10672219 BVWFKFXKYZFUIR-UHFFFAOYSA-N 408.321 3.217 0 40 HGAB CCCCNC(=O)C1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CC1 10693527 YKPDZJUZSFUZHJ-UHFFFAOYSA-N 407.363 3.452 0 40 HGAB CCOc1ccc(NC(=O)c2ccc3c(c2)C[C@@H](C)N3S(C)(=O)=O)cc1OCC 11655661 ZPULJRPHPJVSRK-CQSZACIVSA-N 418.515 3.447 0 40 HGAB O=C(c1cc(-c2ccc(Cl)cc2)on1)N(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 11914681 WVPMWCMTJBIEQT-OAHLLOKOSA-N 420.874 3.418 0 40 HGAB Cc1ccc(Oc2ccc(NC(=O)Cn3c(=O)[nH]c(=O)c4ccccc43)cc2)cc1 11987476 LAMGTHWDJUXZFM-UHFFFAOYSA-N 401.422 3.429 0 40 HGAB COc1ccccc1C1=NO[C@H](CC2(C(=O)NCc3ccncc3)CCOCC2)C1 12132226 MEVIZZKOTLOZTK-SFHVURJKSA-N 409.486 3.087 0 40 HGAB Cc1cccc(C)c1NC(=O)Cn1c(C)nc2c(c1=O)CCN(Cc1ccccc1)C2 12186296 FHIHKZXDSNOYOC-UHFFFAOYSA-N 416.525 3.366 0 40 HGAB O=C(CCc1ncc(-c2ccccc2)o1)Nc1ccc(N2CCCS2(=O)=O)cc1 12264304 YYSVPRPQOIZCNH-UHFFFAOYSA-N 411.483 3.453 0 40 HGAB Cc1sc2nc(SCC(=O)Nc3ccc(C(=O)N(C)C)cc3)nc(N)c2c1C 12539259 REXZCHIBFBFDND-UHFFFAOYSA-N 415.544 3.323 0 40 HGAB Cc1nc2c(cnn2C(C)C)cc1C(=O)NC[C@@H](c1cccs1)N1CCOCC1 12778127 SIWNVYRGOPIFDZ-SFHVURJKSA-N 413.547 3.185 0 40 HGAB COc1ccc(NC(=O)NC(=O)CN(Cc2cccs2)C[C@@H]2CCCO2)cc1 12786442 JZTSODDVHGUAGB-KRWDZBQOSA-N 403.504 3.086 0 40 HGAB Cc1nn(Cc2ccccc2)c(C)c1C(=O)NC[C@H](c1cccs1)N1CCOCC1 12882719 MDGARJUTAGXJKD-HXUWFJFHSA-N 424.570 3.413 0 40 HGAB O=C(NCc1ccccc1)[C@@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1 13680633 VWOUMUSNNPHWDC-QFIPXVFZSA-N 422.506 3.100 0 40 HGAB CCS(=O)(=O)N(C)c1ccc(C(=O)Nc2cc(C(=O)OC)ccc2Cl)cc1 14400914 QUDKHXXVWVRPDG-UHFFFAOYSA-N 410.879 3.165 0 40 HGAB CCOC(=O)c1c(NC(=O)CN2C(=O)[C@H](C)Oc3ccccc32)sc(C)c1C 14711297 MDTUTPGPBDELPH-LBPRGKRZSA-N 402.472 3.294 0 40 HGAB Cc1cc(C)c(NC(=O)CNC(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)c(C)c1 17960666 YNQHGWZBZYCEFW-MRXNPFEDSA-N 413.905 3.373 0 40 HGAB C[C@@H](Oc1ccc(F)cc1)C(=O)N1CC[C@@H](c2cc(O)nc(-c3ccccn3)n2)C1 19077616 PQQNKYRHBYOVDM-HUUCEWRRSA-N 408.433 3.167 0 40 HGAB Cc1ccccc1-c1ncc(CN2C[C@@H]3CCC[C@H](C2)C3(O)c2nccn2C)cn1 19237539 JLFVCAHAMYSPCK-VXMMSVGHSA-N 403.530 3.305 0 40 HGAB COCCC(=O)N1CCC[C@H](c2nc(C)c3c(n2)N(Cc2ccccc2)CCC3)C1 19706637 ULZQJNPBUFDFKP-FQEVSTJZSA-N 408.546 3.480 0 40 HGAB CN(Cc1nc([C@H]2CCCNC2)cc(N(C)C)n1)C(=O)CCCc1ccc(F)cc1 19710036 NCWILLCRSYXQOW-SFHVURJKSA-N 413.541 3.130 0 40 HGAB COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)C[C@@H]1C(=O)Nc1ccccc1OC 19819158 SWSZYGVCDIFTHE-INIZCTEOSA-N 412.417 3.273 0 40 HGAB CCCOc1nnnc2c1sc1nc(N3CCOCC3)c3c(c12)CC(C)(C)OC3 19940227 ZFTSEAGGMSEVKM-UHFFFAOYSA-N 415.519 3.111 0 40 HGAB Cc1cccc(C)c1N(CC(=O)NCCSCc1ccccc1)S(C)(=O)=O 20237596 LEWJFELFZBRMHM-UHFFFAOYSA-N 406.573 3.119 0 40 HGAB CC[C@@H](Oc1ccccc1C)C(=O)Nc1cc(S(=O)(=O)NC(C)C)ccc1OC 20487389 ZTDXRVDJBFMCML-GOSISDBHSA-N 420.531 3.486 0 40 HGAB O=C(Nc1ccc(S(=O)(=O)NCc2ccco2)cc1)c1ccc(-n2cccn2)cc1 22591308 DAKFJRALAOTWGT-UHFFFAOYSA-N 422.466 3.196 0 40 HGAB NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(C3SCCCS3)cc2)cc1 22874776 SEEJSFMHNPSWAM-UHFFFAOYSA-N 422.597 3.175 0 40 HGAB COc1cc(OC)c(OC)cc1CNS(=O)(=O)c1ccccc1OC(F)(F)F 23401670 BPWZUCOAHMPMDS-UHFFFAOYSA-N 421.393 3.090 0 40 HGAB COC(=O)C[C@@H](NC(=O)CCn1c(=O)oc2cc(Cl)ccc21)c1ccc(C)cc1 23873604 ZQOARFDKDPFBHG-MRXNPFEDSA-N 416.861 3.367 0 40 HGAB O=C(O)CCc1ccc(S(=O)(=O)Nc2ccccc2-c2nc(C3CC3)n[nH]2)cc1 26541412 MNZMFMBEPUWERV-UHFFFAOYSA-N 412.471 3.167 0 40 HGAB Cc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N[C@@H](C)[C@H]3CCCO3)c2)cc1 27913270 RQZJFQZEZJOUIN-OXJNMPFZSA-N 402.516 3.402 0 40 HGAB CC[C@H](NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1)C12CC3CC(CC(C3)C1)C2 28323904 VQUJIWMVXAMCFA-BTCBHJBXSA-N 411.589 3.363 0 40 HGAB CCN1CCN([C@H](C(=O)O)c2c[nH]c3cc(NC(=O)c4ccccc4)ccc23)CC1 32096286 HIPPLIFOQXPMBC-NRFANRHFSA-N 406.486 3.183 0 40 HGAB O=C(CCN1C(=O)S/C(=C\c2cccs2)C1=O)Nc1ccc(O)c(C(=O)O)c1 33588378 UYNADHMRVGQHNM-ZROIWOOFSA-N 418.452 3.217 0 40 HGAB NC(=O)[C@H]1Cc2ccccc2CN1Cc1nc2scc(-c3cccs3)c2c(=O)[nH]1 35286874 NYKCGQPPVNSSHD-OAHLLOKOSA-N 422.535 3.125 0 40 HGAB Cc1ccc(NC(=O)CN2CCC3(CC2)N=C(c2ccc(C)c(C)c2)C(=O)N3)c(C)c1 35430745 OUTFOYHTWPNNIR-UHFFFAOYSA-N 418.541 3.270 0 40 HGAB biogenic FC(F)(F)c1cc(NC(=S)NCCN2CCOCC2)cc(C(F)(F)F)c1 35622983 ZBPRKUCHPUJKCB-UHFFFAOYSA-N 401.376 3.343 0 40 HGAB Cc1ncc(CN2CCC([C@@H]3C[C@@H](C(=O)Nc4ccc(F)cc4)CN3C)CC2)cn1 36734293 SSIKNOMZEAAOPT-KNQAVFIVSA-N 411.525 3.095 0 40 HGAB CCc1ccccc1NC(=O)[C@H]1CC(=O)Nc2nc(Nc3ccc(C)cc3)[nH]c(=O)c21 40400393 QBZCKIPQSXEXLL-INIZCTEOSA-N 417.469 3.449 0 40 HGAB CC(C)CNC(=O)[C@H]1CCCN(Cc2cc(=O)n3c(-c4ccccc4)csc3n2)C1 48289565 VVQLPMWCDDBMBL-SFHVURJKSA-N 424.570 3.407 0 40 HGAB Cc1cc2nc(SCC(=O)Nc3cccc(Br)c3)n(C)c(=O)c2[nH]1 57521492 CLLPYRCPCLVSKI-UHFFFAOYSA-N 407.293 3.063 0 40 HGAB Cc1nn([C@H]2CCS(=O)(=O)C2)c2c1[C@H](c1cccc(Br)c1)CC(O)=N2 71283703 BZAPFJHCDJZBRB-KBPBESRZSA-N 424.320 3.437 0 40 HGAB COc1cc(CN2C[C@@H](N(C)C)[C@H](c3cn(C)c4ccccc34)C2)ccc1OCCO 72395151 HNSVWGBQRZDNPU-JTHBVZDNSA-N 423.557 3.088 0 40 HGAB COc1cc(NC(=O)Cc2nn(C(C)C)c(=O)c3ccccc23)cc(OC)c1OC 79486378 ZSWOSONXRLSOMT-UHFFFAOYSA-N 411.458 3.184 0 40 HGAB Nc1ncncc1CNC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C1CC1 84383349 QTTVYLXBSHXPGA-UHFFFAOYSA-N 402.380 3.071 0 40 HGAB C[C@@H]1CCCC[C@H]1OCCNC(=O)CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O 95350862 MGXOEKKMSXHYIG-BDJLRTHQSA-N 413.301 3.301 0 40 HGAB O=C(NCCn1nc(-c2ccccn2)cc1C1CC1)c1cc2ccccc2oc1=O 96121728 QMWSOECSTGGOFB-UHFFFAOYSA-N 400.438 3.359 0 40 HGAB O=C(NCc1ccc(F)cc1F)c1nnn2c1CO[C@@H](c1ccc(Cl)cc1)C2 97943944 LFJUSZKSCCPXPB-QGZVFWFLSA-N 404.804 3.411 0 40 HGAB COCCCn1c(CN2CCN(C(C)=O)CC2)cs/c1=N/c1cccc(Cl)c1 101445512 GDDLMXJURLPMJQ-LSDHQDQOSA-N 422.982 3.136 0 40 HGAB CC1=C(CC(=O)NCC(=O)O)c2cc(F)ccc2/C1=C/c1ccc([S@@](C)=O)cc1 102674490 YHIPTYHDOZQZLO-RTXIIXAVSA-N 413.470 3.482 0 40 HGAB COc1cccc(C2=NO[C@@]3(C(=O)Nc4ccccc43)[C@H]2C(=O)c2ccco2)c1OC 102870822 FIIIYFZIQSCGIP-WZONZLPQSA-N 418.405 3.378 0 40 HGAB CCOc1cccc(NC(=O)[C@H](C)N(c2cc(C)ccc2OC)S(C)(=O)=O)c1 220344348 REXPRXZEODODTR-HNNXBMFYSA-N 406.504 3.196 0 40 HGAB CCCOc1ccccc1CCCNC(=O)c1cccc(N(C)S(C)(=O)=O)c1 222421827 LCXVNRKGINRZBJ-UHFFFAOYSA-N 404.532 3.234 0 40 HGAB CNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)COc1ccc(Br)cc1 222429023 BKVWNTYJTQSDDT-OAHLLOKOSA-N 419.319 3.300 0 40 HGAB COc1ccc(CN(C(C)=O)[C@@H](Cc2ccccc2)C(=O)NCc2ccccn2)cc1 223260276 FPPOYWKIERXYDK-DEOSSOPVSA-N 417.509 3.366 0 40 HGAB COc1ccc(NS(=O)(=O)c2cc3oc(=O)[nH]c3cc2Cl)c2cccnc12 223330914 OCLGKADNOCDYTH-UHFFFAOYSA-N 405.819 3.132 0 40 HGAB CCOc1ccc(-c2noc(CN(C)S(=O)(=O)c3ccc(OCC)cc3)n2)cc1 223576680 KFVLNBJDKCEKIE-UHFFFAOYSA-N 417.487 3.355 0 40 HGAB CC[C@H](C(=O)NCCOc1ccccc1C)N(c1ccc(Cl)cc1)S(C)(=O)=O 224306880 ZBURIZJFCYEVBQ-GOSISDBHSA-N 424.950 3.388 0 40 HGAB O=C(Nc1nnc(S(=O)(=O)Nc2ccccc2F)s1)c1ccc(Cl)cc1 224623606 FKAKKNHQQKJBLS-UHFFFAOYSA-N 412.855 3.384 0 40 HGAB Cc1ccc(N(CCCC(=O)NCCOc2ccc(F)cc2)S(C)(=O)=O)c(C)c1 224647649 AUKPCGYYMZYECE-UHFFFAOYSA-N 422.522 3.184 0 40 HGAB CC(C)[C@@H](C)NC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1 225209883 QYBRJRLOHIMRAP-KUHUBIRLSA-N 422.934 3.457 0 40 HGAB COCCN(C)C[C@@H]1CO[C@@]2(CCCN(C(=O)c3ccc(-n4cccc4)cc3)C2)C1 247995131 MMBOYRGCCJLLQY-YKSBVNFPSA-N 411.546 3.067 0 40 HGAB CC1CCC(N2CCc3nc([C@@H]4CCCN(C(=O)[C@@H]5C[C@H]5C)C4)nc(O)c3C2)CC1 248106450 LRJJRJGCDCTXNE-ZKJCDFIUSA-N 412.578 3.481 0 40 HGAB CCn1nc(C)c(NC(=O)[C@@H]2C[C@H]3CC[C@H]2C[C@@]32NC(=O)c3ccccc3O2)c1C 249697482 UUURFQVKLVZAMA-JAOIYPECSA-N 408.502 3.413 0 40 HGAB COc1cccc(O[C@H]2CCN(C(=O)COc3cc(C)ccc3Cl)CC[C@@H]2O)c1 257311477 UJQHLEYGZCRYBM-PMACEKPBSA-N 419.905 3.467 0 40 HGAB CC(C)(C)C(=O)N1[C@H]2c3ccc4c(c3[C@H]1[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@H]12)OCO4 261828367 KOVBLSKSOKLBAW-YRXWBPOGSA-N 418.449 3.205 0 40 HGAB CCCNS(=O)(=O)c1ccc(CCC(=O)N[C@@H](C)CCc2ccccc2)cc1 408583240 GOWIUJLNHJEHSR-SFHVURJKSA-N 402.560 3.445 0 40 HGAB Cc1ccccc1CSCCNC(=O)CN(c1ccccc1C)S(C)(=O)=O 409027913 INMCKAKLAAQFFU-UHFFFAOYSA-N 406.573 3.119 0 40 HGAB O=C(NC[C@@H](c1cccc(Cl)c1)N1CCOCC1)c1cccc(Cn2ccnc2)c1 537245943 OTMCJZMFQNPBSX-QFIPXVFZSA-N 424.932 3.388 0 40 HGAB COc1ccccc1C1(C(=O)N2CC[C@H](c3cccs3)S(=O)(=O)CC2)CC1 575414912 PVMJOBPXHKOSKX-GOSISDBHSA-N 405.541 3.177 0 40 HGAB O=C(NC[C@@H](c1ccsc1)n1cccn1)C(=O)Nc1ccc(OC(F)(F)F)cc1 575614146 OUEWQSIYNDQJGG-HNNXBMFYSA-N 424.404 3.188 0 40 HGAB Cc1ccc(N2C[C@@H](C(=O)NCc3nccnc3-c3cccs3)CC2=O)cc1C 575620950 RYLSXOJLJXERQC-INIZCTEOSA-N 406.511 3.491 0 40 HGAB CC(C)c1ccc(CN2CCC[C@]3(CCC(=O)N3CCS(C)(=O)=O)CC2)cc1 585100077 FAESMUOLYQFHKT-QFIPXVFZSA-N 406.592 3.202 0 40 HGAB Cn1nccc1-c1ccc(CCNC(=O)C(=O)Nc2ccccc2C(F)(F)F)cc1 1889277375 KKDXSBGEDHCZBJ-UHFFFAOYSA-N 416.403 3.403 0 40 HGAB O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cc(Cl)ccc1Cl 917357 UMUNCEUMZZZVAW-UHFFFAOYSA-N 415.298 3.267 0 40 HGAB Cc1ccccc1Cn1c(N[C@H]2C[C@H](C)CC(C)(C)C2)nc2c1c(=O)[nH]c(=O)n2C 1271449 KHANHDCQXWGYIQ-YOEHRIQHSA-N 409.534 3.407 0 40 HGAB COC(=O)c1ccc(S(=O)(=O)N2CCC(c3nc4ccccc4o3)CC2)cc1 1327529 JROHFZZZEXDUIJ-UHFFFAOYSA-N 400.456 3.183 0 40 HGAB CCCNC(=O)/C(=C/c1cn(C)c2ccccc12)NC(=O)c1ccc(OC)c(OC)c1 2331259 PINKWXQFWJSDAR-UYRXBGFRSA-N 421.497 3.493 0 40 HGAB O=C1c2oc3ccc(Br)cc3c(=O)c2[C@H](c2ccccc2F)N1CCO 2419535 GNTFJZRWBHIRIY-INIZCTEOSA-N 418.218 3.232 0 40 HGAB Cc1cc(-c2nnc(C(F)(F)F)o2)ccc1NC(=O)CSc1cccc[n+]1[O-] 2568754 KELDPWLXGUZJRH-UHFFFAOYSA-N 410.377 3.428 0 40 HGAB COc1ccc([C@@H]2CN3C(=O)CN(C4CC4)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)cc1 4083647 QRNKNSHIVHXWFE-DFBJGRDBSA-N 415.493 3.370 0 40 HGAB biogenic Cc1cccc(-n2nc3c(c2NC(=O)c2ccc4c(c2)OCO4)C[S@](=O)C3)c1C 4105706 SMGZXEJLNCDYAE-GDLZYMKVSA-N 409.467 3.232 0 40 HGAB O=C(Cc1n[nH]c(=O)c2ccccc12)OCC(=O)c1ccc2c(c1)-c1ccccc1C2 4493039 WNTFDLPTTJPYQE-UHFFFAOYSA-N 410.429 3.463 0 40 HGAB CCCn1c(SCC(=O)Nc2cc(OC)ccc2OC)nnc1-c1ccncc1 4860965 UBGRQOLWZLWZHP-UHFFFAOYSA-N 413.503 3.498 0 40 HGAB COC(=O)CCn1c(C)cc(C(=O)COC(=O)Cc2coc3cc(O)ccc23)c1C 4921030 CRCGCNVUKBHPMC-UHFFFAOYSA-N 413.426 3.088 0 40 HGAB CCOC(=O)c1ccccc1NC(=O)Cn1nc(-c2ccc(C)c(C)c2)ccc1=O 5401661 WLAGTTIWNKMSQF-UHFFFAOYSA-N 405.454 3.343 0 40 HGAB COc1cc(-c2ccc(SCC(=O)NCc3ccco3)nn2)cc(OC)c1OC 5411503 ANMXSLUGEWCRJS-UHFFFAOYSA-N 415.471 3.171 0 40 HGAB Cc1cn([C@@H]2C[C@@H](O)[C@H](CO)O2)c(=O)nc1NC1CCCCCCCCCCC1 5496609 NLXIYELCOAXGBJ-AABGKKOBSA-N 407.555 3.278 0 40 HGAB CC(C)CNC(=S)N(Cc1cccnc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 6015129 CLENQXATAMUCOU-UHFFFAOYSA-N 424.526 3.185 0 40 HGAB COc1cc(CCC(=O)Nc2ccccc2N2CCOCC2)cc(OC)c1OC 6320042 XIBOTFONJQYZSP-UHFFFAOYSA-N 400.475 3.120 0 40 HGAB CNC(=O)NC(=O)[C@@H](C)Sc1nnc(-c2ccc(F)cc2)n1Cc1ccccc1 6531625 GNEXOXNVJVLKBS-CYBMUJFWSA-N 413.478 3.069 0 40 HGAB CCN(c1ccccc1)S(=O)(=O)c1nnc(NC(=O)c2ccccc2F)s1 6818270 UUDQANQHKJGZPJ-UHFFFAOYSA-N 406.464 3.145 0 40 HGAB COc1cccc(CNC(=O)c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)c1 6862272 BOFIXEVCZHHQFH-UHFFFAOYSA-N 402.516 3.046 0 40 HGAB COc1ccc([C@@H](NC(=O)Cn2nnc(-c3ccsc3)n2)c2ccccc2)cc1 8000411 ZJPZTFZFJJGZSL-FQEVSTJZSA-N 405.483 3.316 0 40 HGAB CC(=O)c1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3cc(C)cc(C)c3)C2)cc1 8037805 GVMAEVPQIKIXGM-SFHVURJKSA-N 408.454 3.041 0 40 HGAB CCCN(Cc1nnc(-c2ccco2)o1)C(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 8074851 CZCMGAYQPXPOAU-KRWDZBQOSA-N 408.458 3.117 0 40 HGAB O=C(C[C@H]1Oc2ccccc2NC1=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1 8144240 JSXJNWORJRVGNI-LJQANCHMSA-N 417.469 3.400 0 40 HGAB NS(=O)(=O)c1ccc(OCCOC(=O)c2ccccc2Cc2ccccc2)cc1 8154597 NDNWARHTKDMBNH-UHFFFAOYSA-N 411.479 3.161 0 40 HGAB CCOC(=O)C1=C(COC(=O)CCC2CCCC2)NC(=O)N[C@H]1c1cccs1 8754155 TWGMMEOKVVNQOS-SFHVURJKSA-N 406.504 3.433 0 40 HGAB COc1ccc(-c2nonc2NC(=O)c2nn(-c3cccc(Cl)c3)ccc2=O)cc1 9134856 QJKPALCYKLZOQM-UHFFFAOYSA-N 423.816 3.197 0 40 HGAB CCOC(=O)N1CCC(NC(=O)[C@H](NC(=O)C2CCC(C(C)C)CC2)C(C)C)CC1 9195224 IBYMQGNJROZKGQ-AFMYVXGZSA-N 423.598 3.327 0 40 HGAB Cc1nnc(SCC(=O)Nc2ccccc2N2CCOCC2)n1Cc1ccccc1 9368140 QPOISUITPNUYJF-UHFFFAOYSA-N 423.542 3.202 0 40 HGAB COc1ccc(F)cc1S(=O)(=O)Nc1ccc(I)cc1 10301916 MKEWHIAAEOSHKP-UHFFFAOYSA-N 407.204 3.240 0 40 HGAB Cc1cc(S(=O)(=O)N(C)C)cc(NC(=O)CN2CCC[C@H]2c2ccccc2)c1C 10340840 RLFKQWDHYBJPOT-NRFANRHFSA-N 415.559 3.329 0 40 HGAB CCOC(=O)c1ccccc1NC(=O)CSc1nnc(-c2ccccc2OC)[nH]1 10475514 IPUUYHQMMQDPMV-UHFFFAOYSA-N 412.471 3.388 0 40 HGAB CN(c1ccccc1C(=O)OCc1c(F)c(F)c(F)c(F)c1F)S(C)(=O)=O 11604317 XIFVJEBGHNBHAM-UHFFFAOYSA-N 409.332 3.135 0 40 HGAB COc1cccc(NC(=O)CNC(=O)c2ccc3nc(-n4cccc4)sc3c2)c1 12322506 OJQFFFDZUBYGSY-UHFFFAOYSA-N 406.467 3.464 0 40 HGAB Cc1ccc2c(c1)[C@H](O)CC1(CCN(C[C@@H](O)c3ccc4c(c3)OCCO4)CC1)O2 12329331 ZUOGIJIWJSTVCM-WOJBJXKFSA-N 411.498 3.150 0 40 HGAB CCOc1ccccc1N1C[C@H](C(=O)Nc2cnc3c(cnn3C(C)C)c2)CC1=O 12781842 PODNEWNSMUKWGZ-MRXNPFEDSA-N 407.474 3.403 0 40 HGAB Cc1nc2c(cnn2C(C)C)cc1C(=O)OCC(=O)NC(=O)c1ccc(Cl)cc1 12935482 RJYJXBOCBDMZMP-UHFFFAOYSA-N 414.849 3.087 0 40 HGAB Cc1ccc(S(=O)(=O)N(C)CC(=O)N2CCC(c3ccc(O)cc3)CC2)cc1C 12983701 ZTTKLCMUKUIFLI-UHFFFAOYSA-N 416.543 3.036 0 40 HGAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)Oc1cccc(Cl)c1 13005537 DPWOCCOUXWGQJV-LBPRGKRZSA-N 412.895 3.005 0 40 HGAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)COc1ccc2c(C)cc(=O)oc2c1 13070862 ZTFMRFPJFVSYRN-UHFFFAOYSA-N 408.454 3.194 0 40 HGAB COc1ccc(Cl)cc1N([C@@H](C)C(=O)NCCCc1ccccc1)S(C)(=O)=O 13632501 GIDAVDGOQUVTMM-HNNXBMFYSA-N 424.950 3.252 0 40 HGAB CC[C@H](C(=O)Nc1ccc(C(=O)O)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O 13715036 LJKLTNPEDVEPPT-MRXNPFEDSA-N 410.879 3.222 0 40 HGAB CC[C@H](C(=O)Nc1ccc2c(c1)OCCO2)N(c1ccc(C)c(C)c1)S(C)(=O)=O 13716496 YNZFPLNCMNLYFO-GOSISDBHSA-N 418.515 3.258 0 40 HGAB CCn1c(SCC(=O)N2CCc3ccccc32)nnc1-c1ccc2c(c1)OCCO2 13941870 XHUZWQCLXJZHCW-UHFFFAOYSA-N 422.510 3.418 0 40 HGAB C[C@@H]1C(=O)N(c2ccc(Br)cc2)C(=O)[C@@H]2C(=O)Oc3ccccc3[C@H]12 15305720 MWCBFVAZHWOBHI-CIISACIHSA-N 400.228 3.277 0 40 HGAB C[C@]1(CN2CCOCC2)COc2c(Br)cc(Br)cc2C1=O 16578162 SHIQWDKVCDDWOV-HNNXBMFYSA-N 419.113 3.125 0 40 HGAB O=C(OCc1nnnn1-c1ccccc1)c1ccccc1OCCOc1ccccc1 17533905 CBMGWJRCBGLYOI-UHFFFAOYSA-N 416.437 3.477 0 40 HGAB COc1ccccc1OCCc1nnc(NC(=O)c2cn3cc(C)ccc3n2)s1 19234361 VJZVFMWCXUJHQF-UHFFFAOYSA-N 409.471 3.377 0 40 HGAB O=C(c1cnccn1)N1CCCC[C@@H]1c1nc(O)c2c(n1)CN(C1CCCCC1)CC2 19403705 ATKQOGBBJPNXJG-HXUWFJFHSA-N 422.533 3.030 0 40 HGAB C[C@H]1CC(=O)N(c2cccc(C(=O)N3CCCC[C@H]3CN3CCCCCC3)c2)C1=O 19462366 JAHWVVIIDSJTOM-RXVVDRJESA-N 411.546 3.457 0 40 HGAB CCc1noc(C)c1C(=O)N1CCC[C@H](c2cc(NC)nc(-c3ccncc3)n2)C1 19521209 DSUISQUMCUPSAD-INIZCTEOSA-N 406.490 3.459 0 40 HGAB COc1ccc(-c2ccc(C[C@@]3(C(N)=O)CCCN(C(=O)[C@@H]4CCCO4)C3)cc2)cc1 19558208 GHEACVKCPGDPAK-DHLKQENFSA-N 422.525 3.178 0 40 HGAB CN(C)CCN(C)c1nc(-c2cccnc2)nc2c1CN(Cc1ccc(F)cc1)CC2 19582485 LRWAWWNSYNGDRU-UHFFFAOYSA-N 420.536 3.234 0 40 HGAB COC(=O)C1CCN(C(=O)C2(Cc3ccccc3-c3cccnc3)CCOCC2)CC1 19592471 KPJYBNDDDKXGHZ-UHFFFAOYSA-N 422.525 3.500 0 40 HGAB COc1ccc2nc(N3CCOCC3)c(/C=C3\N=C(c4ccccc4)OC3=O)cc2c1 19995490 CTCINZSNNXEYJG-QNGOZBTKSA-N 415.449 3.425 0 40 HGAB COc1ccc([C@H](C)NC(=O)[C@H](C)N(c2ccc(C)cc2)S(C)(=O)=O)cc1OC 20037540 LRUQZEWHQQQZBA-HOTGVXAUSA-N 420.531 3.044 0 40 HGAB C[C@@H]1Cc2cc(C(=O)NCc3ccco3)ccc2N1S(=O)(=O)c1ccc(F)cc1 20449398 CRKIPXBEWDNXEV-CQSZACIVSA-N 414.458 3.489 0 40 HGAB O=C1CCC(=O)N1c1c(Cl)c(N2CCOCC2)nc2c1Oc1ccccc1O2 20713717 ZLDBDHPLDKQVLP-UHFFFAOYSA-N 401.806 3.123 0 40 HGAB COc1c(F)cc2c(=O)c(C(=O)N3CCc4ccccc4C3)cn(CCF)c2c1F 20745263 XHSTUNWSCHFMDM-UHFFFAOYSA-N 416.399 3.456 0 40 HGAB O=C(c1ccc(-n2cnc3ccccc3c2=O)cc1)N1CCN(Cc2ccccc2)CC1 21706773 KYALXGHVRLBZNP-UHFFFAOYSA-N 424.504 3.344 0 40 HGAB COc1ccc([C@@H]2CCCN2S(=O)(=O)c2cccc3nsnc23)cc1OC 22405713 VJZMSMCLVWRTQK-AWEZNQCLSA-N 405.501 3.234 0 40 HGAB CC[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(OC)cc2)C1)c1ccccc1 22515032 QXNRDVJFUSBDIC-WIYYLYMNSA-N 416.543 3.363 0 40 HGAB Cc1ccccc1CSCCNS(=O)(=O)c1ccc(N2CCCC2=O)cc1 22523455 SVPQWSRYXJPRIL-UHFFFAOYSA-N 404.557 3.334 0 40 HGAB CCOc1ccc(C(=O)NC[C@@H](c2ccc(F)cc2)N2CCOCC2)cc1OCC 23106240 ZBJXGSUYWWAJRM-FQEVSTJZSA-N 416.493 3.426 0 40 HGAB Cc1[nH]c(C(=O)N(C)Cc2ccccc2N2CCOCC2)c(C)c1C(=O)OC(C)C 24191654 KBHDXHZDMBKZCS-UHFFFAOYSA-N 413.518 3.306 0 40 HGAB COc1ccc(NC(=O)c2cc(C)no2)cc1NS(=O)(=O)c1ccc(F)cc1 24400571 XDJKPKZWMFJEHP-UHFFFAOYSA-N 405.407 3.184 0 40 HGAB O=C(CN1c2ccc(F)cc2-c2ccccc2S1(=O)=O)NCCc1ccccc1 24607932 SHPKWJPQPUVDEE-UHFFFAOYSA-N 410.470 3.360 0 40 HGAB CCNC(=O)COc1ccc(C(=O)OCc2ccc(OC(F)F)c(OC)c2)cc1 24759029 HEKGLUGJOLMBSS-UHFFFAOYSA-N 409.385 3.169 0 40 HGAB CC(=O)c1cccc(OC[C@@H](O)Cn2cnc3c(Cl)cc(Cl)cc3c2=O)c1 24973698 SFKJSPCYRLKIMK-AWEZNQCLSA-N 407.253 3.346 0 40 HGAB O=C(Cc1ccc(Cl)cc1Cl)N(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 25814772 JJKAPJBGZIUASD-CQSZACIVSA-N 402.299 3.345 0 40 HGAB O=C(CCNC(=O)c1cc2cc(Cl)c(O)cc2oc1=O)OCc1ccccc1 26522537 DYZAFNIFUJNRGY-UHFFFAOYSA-N 401.802 3.015 0 40 HGAB CC[C@@H](C)c1ccccc1N1C[C@H](C(=O)N2CCN(C(=O)c3ccco3)CC2)CC1=O 27155791 ACBWCWMWKKCMRE-QZTJIDSGSA-N 423.513 3.131 0 40 HGAB Cc1cc(N2CCN([C@@H](C)C(=O)NCc3ccccc3Cl)CC2)nc(C(C)C)n1 27545799 NDSHPVLXKVMCDH-KRWDZBQOSA-N 415.969 3.389 0 40 HGAB Cc1nc(COc2ccccc2C(=O)OCc2nnnn2-c2ccccc2)cs1 28033383 DRFYXYKANMEZLB-UHFFFAOYSA-N 407.455 3.363 0 40 HGAB O=C(OCc1cc(Cl)c2c(c1)OCCCO2)[C@@H]1CCCCN1c1ncccn1 31272581 WJQXZNJGRXRLDH-INIZCTEOSA-N 403.866 3.394 0 40 HGAB COc1ccc(CN2CCN(C(=O)c3ccc4c(c3)NC(=O)[C@H](C)S4)CC2)cc1 32747634 RVBVSPBPERGDPR-HNNXBMFYSA-N 411.527 3.086 0 40 HGAB COc1ccc(O)c(C(=O)N2CCN(C(=O)c3cc(Cl)cc(Cl)c3)CC2)c1 32760790 MGNATCSINJAMKA-UHFFFAOYSA-N 409.269 3.306 0 40 HGAB COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc2c(c1)NC(=O)CCS2 32991054 GGTRGBZBCMTNOA-SFHVURJKSA-N 423.494 3.116 0 40 HGAB COc1ccc(-c2cnn(CC(=O)Nc3cc(Cl)ccc3Cl)c(=O)n2)cc1 33324692 VNVWQYYYGNRFPT-UHFFFAOYSA-N 405.241 3.259 0 40 HGAB CCOc1ccc2[nH]c(=O)c([C@@H]3c4cc(OC)c(OC)cc4CCN3C(C)=O)cc2c1 35313406 MYQCUVKGIYHDFS-QHCPKHFHSA-N 422.481 3.438 0 40 HGAB C/C=C/C=C/C=C/C(=O)O[C@@H]1C=C(CO)[C@@](O)(C(=O)OC)[C@@]2(C)CCCC(C)(C)[C@@H]12 35464062 QIDMCIFFMHMTBT-VXPWRVSCSA-N 418.530 3.256 0 40 HGAB biogenic,in-vitro COc1ccc2[nH]c3c(c2c1)CCN([C@@H]1CC(=O)N(c2ccc(C(C)=O)cc2)C1=O)C3 36370104 ZMJNRGSORAVWRD-JOCHJYFZSA-N 417.465 3.069 0 40 HGAB biogenic COc1ccc(NC(=O)[C@@H]2CCCN2C(=O)Nc2cccnc2N2CCCC2)cc1 47540581 ZATWFKJWVOYCHW-IBGZPJMESA-N 409.490 3.325 0 40 HGAB CCOc1ccccc1N1CCN(C(=O)c2cc(-c3cccc(OC)c3)[nH]n2)CC1 51315783 ONFKDOUZYASRMW-UHFFFAOYSA-N 406.486 3.446 0 40 HGAB COc1ccc(F)cc1CS(=O)(=O)[C@H](C)C(=O)Nc1ccc(F)c(F)c1F 52435592 BQFODRVPBZCEIR-SECBINFHSA-N 405.369 3.194 0 40 HGAB O=C(CCn1ccn2nc(-c3ccc(F)cc3)cc2c1=O)NCCc1cccs1 67261137 BUTBYOXLQHEMDT-UHFFFAOYSA-N 410.474 3.113 0 40 HGAB O=S(=O)(NC[C@@](O)(c1ccccc1)C1CC1)c1ccc(OC(F)(F)F)cc1 70968284 BNFJHMBQJPPUDE-QGZVFWFLSA-N 401.406 3.161 0 40 HGAB CC(C)C[C@@H](NC(=O)c1cc2ccc(Br)cc2[nH]1)C(=O)Nc1cc[nH]n1 72272120 JXKLLDXUUMOSMQ-CQSZACIVSA-N 418.295 3.437 0 40 HGAB Cc1ccc2nc([C@@H]3CCCCN3C(=O)Cc3ccc(-n4nnnc4C)cc3)[nH]c2c1 72389456 HLXRWFBQICNGEG-NRFANRHFSA-N 415.501 3.452 0 40 HGAB CCN(CC)C(=O)C[C@@H]1CC2(CCN(C(=O)N3CCOCC3)CC2)c2ccccc21 96079515 XVZWLQSMEZTIBQ-LJQANCHMSA-N 413.562 3.218 0 40 HGAB CC(C)CN1CC2(CCN(C(=O)CCc3ccccc3)CC2)[C@@]2(CCN(C)C2=O)C1 96144200 BUYXUYVZOBKWHA-VWLOTQADSA-N 411.590 3.048 0 40 HGAB COc1ccc(NC(=O)C2=NO[C@@]3(CCCN(C(=O)Cc4cccs4)C3)C2)cc1 96225159 UKNPZGLJQXDFME-NRFANRHFSA-N 413.499 3.075 0 40 HGAB Cc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)N3CC[C@@H](C)[C@@H]4CCCC[C@@H]43)=C2)cc1 169682044 FGFFGUWDGCADLG-KPFFTGBYSA-N 415.559 3.285 0 40 HGAB CCOC(=O)c1cccc(NC(=O)[C@@H](CC)N(c2ccccc2)S(C)(=O)=O)c1C 219082865 OFFXCJNJAVUIKE-LJQANCHMSA-N 418.515 3.355 0 40 HGAB CC[C@@H](C(=O)NCc1ccccc1OC)N(c1cc(C)cc(C)c1)S(C)(=O)=O 220564521 WEPPXSVPDCKGBG-IBGZPJMESA-N 404.532 3.173 0 40 HGAB COc1ccc(S(=O)(=O)NCCOc2ccccc2C)cc1Br 223978135 WOKGJOCRSUPAOY-UHFFFAOYSA-N 400.294 3.123 0 40 HGAB CCc1ccc(OCCNC(=O)c2ccc(C)c(S(=O)(=O)N3CCCC3)c2)cc1 224023562 NZRIHQGLCTVBNX-UHFFFAOYSA-N 416.543 3.151 0 40 HGAB CSc1ccc(S(=O)(=O)N(C)CC(=O)NCCCc2cccc(C)c2)cc1 224837986 IAZDPIIFWYMMTJ-UHFFFAOYSA-N 406.573 3.086 0 40 HGAB CSc1ccc(S(=O)(=O)NCCOc2ccc(C)cc2C)cc1NC(C)=O 225170884 LIMJAQZKFIUXNQ-UHFFFAOYSA-N 408.545 3.341 0 40 HGAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1nnc(SCC(=O)OC)s1 225331094 KQGWNRCACNMNJW-OAHLLOKOSA-N 421.544 3.478 0 40 HGAB CCOc1ccc(-c2noc(CN(C)S(=O)(=O)c3ccc(F)c(C)c3)n2)cc1 225610833 PZXQIYRIHREZTK-UHFFFAOYSA-N 405.451 3.404 0 40 HGAB CC(C)NC(=S)Nc1nc(Sc2ncccn2)cc(N2CCCC[C@@H]2C)n1 225889076 BMEFWWCWCKKBIJ-ZDUSSCGKSA-N 403.581 3.491 0 40 HGAB C[C@H]1CCCCN1c1cc(N2CCCC2)nc(NC(=S)NCc2cccnc2)n1 225939436 CLWSXEHLQUIIEU-INIZCTEOSA-N 411.579 3.337 0 40 HGAB O=C(O)c1ccc(-c2ccc(/C=N/N3C(=O)[C@H]4[C@H]5C=C[C@@H]([C@H]6C[C@H]65)[C@H]4C3=O)o2)cc1 253577851 XOMOWQNKHCBBLX-SVPHIWEVSA-N 402.406 3.032 0 40 HGAB CN(C)C(=O)c1sc2nccnc2c1[C@@H]1CCN(C(=O)c2cc(F)cc(F)c2)C1 257276750 NUYQBCXMVRNYET-LLVKDONJSA-N 416.453 3.301 0 40 HGAB Cc1nc(C[C@@H]2CCCN(C(=O)c3cnc4ccccc4c3)C2)cc(C(=O)N(C)C)n1 257287841 PRSJOEDQBDRBFJ-KRWDZBQOSA-N 417.513 3.130 0 40 HGAB CC[C@H]1CCCCN1CCCNC(=O)c1ccc(N2CCCCS2(=O)=O)cc1 260565658 RPIAWLPQGYHSMK-IBGZPJMESA-N 407.580 3.001 0 40 HGAB CCCCOC(=O)c1ccc(NC(=O)[C@@H](C)N(c2ccccc2)S(C)(=O)=O)cc1 408629489 BWNWNSXRLYRHIG-MRXNPFEDSA-N 418.515 3.437 0 40 HGAB COC(=O)c1ccccc1-c1ccc(/C=C2/SC(=O)N([C@H](C)C(=O)OC)C2=O)o1 409064494 CYBKYTWMONAKKW-HPUUJOOBSA-N 415.423 3.331 0 40 HGAB COc1ccccc1OCc1nnc(SCC(=O)N[C@H]2CCCC[C@H]2C)n1C 409341452 AYQLJEWJDRZMOY-CABCVRRESA-N 404.536 3.190 0 40 HGAB O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cccc(Cn2ccnc2)c1 556382867 FFTCXZQGUDQZHO-UHFFFAOYSA-N 424.526 3.358 0 40 HGAB O=C(COc1ccc(F)cc1)N1CC[C@H](c2ccccc2Cl)S(=O)(=O)CC1 575414713 LFIKBWSZLGFVFA-GOSISDBHSA-N 411.882 3.246 0 40 HGAB CC(=O)N1CCCN(Cc2cccnc2)CCCN(C(=O)C2CC2)Cc2ccccc21 643579464 AHJHJXKUMXYUMG-UHFFFAOYSA-N 420.557 3.469 0 40 HGAB C[C@H](NC(=O)N[C@@H]1COc2c(F)cc(F)cc2C1)c1ccc2c(c1)CCC(=O)N2 1521205494 GDUOQYZETKUIEG-ZBEGNZNMSA-N 401.413 3.213 0 40 HGAB O=C(COC(=O)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1)c1ccccc1 712420 IUOKSGQUWROIKU-CQSZACIVSA-N 402.244 3.228 0 40 HGAB CCC(C)(C)n1nnnc1[C@@H](c1cc2ccc(OC)cc2[nH]c1=O)N1CCCCC1 911306 XMZPAKWBFPSJPZ-LJQANCHMSA-N 410.522 3.244 0 40 HGAB COc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)s3)cc2)ncn1 945101 VSQKPGBGHWUEFC-UHFFFAOYSA-N 424.891 3.253 0 40 HGAB CC(C)CC(=O)N[C@H](N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2)C(Cl)(Cl)Cl 2137343 MFGUWGFMUWXDMB-GDZNZVCISA-N 420.768 3.126 0 40 HGAB COCCOC(=O)C1=C(C)N=C2S[C@H](C)C(=O)N2[C@@H]1c1ccc(SC)cc1 2247879 SBKARQONJQJSBQ-MLGOLLRUSA-N 406.529 3.247 0 40 HGAB Cc1ccc(C)c(-n2nnnc2SCC(=O)OCC(=O)c2c[nH]c3ccccc23)c1 2665197 WFDOUDFVDVVRMX-UHFFFAOYSA-N 421.482 3.279 0 40 HGAB COc1ccc(OC)c(/C=C/C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)c1 3374769 XNWGTXRMJTVDNJ-LFYBBSHMSA-N 416.499 3.140 0 40 HGAB O=C(COC(=O)c1ccccc1Br)Nc1ccc(N2CCOCC2)cc1 3506959 HFFKPOOPNBKWCY-UHFFFAOYSA-N 419.275 3.081 0 40 HGAB COc1ccccc1[C@H]1CN2C(=O)CN(C3CC3)C(=O)[C@]2(C)c2[nH]c3ccccc3c21 4082859 VVTHISBCHDXPHR-CJAUYULYSA-N 415.493 3.370 0 40 HGAB biogenic C[C@@H]1CCN(C(=O)CN2C(=O)N[C@](C)(c3ccccc3)C2=O)c2ccccc2S1 4288952 CALIHJWWQATEOJ-IVZQSRNASA-N 409.511 3.371 0 40 HGAB CC1(C)CC(=O)c2cnc(NC(=O)CSCC(=O)Nc3cccc(F)c3)nc2C1 4436905 HWOFETBESNVSJN-UHFFFAOYSA-N 416.478 3.081 0 40 HGAB COc1ccccc1NC(=O)COC(=O)[C@H]1CC(=O)N(c2ccc(C)c(Cl)c2)C1 4512408 FJGRWBDSNXRATC-AWEZNQCLSA-N 416.861 3.192 0 40 HGAB C[C@H](C(=O)N(C)Cc1ccccc1)n1nnc(-c2ccc(Br)cc2)n1 5088120 XXOPEMULUFUCNN-CYBMUJFWSA-N 400.280 3.322 0 40 HGAB O=C(COC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)Nc1ccccc1 5570181 IVHDZYXWEYLJIV-UHFFFAOYSA-N 406.438 3.411 0 40 HGAB CCOC(=O)C1=C(C)N=C2SCC(=O)N2[C@@H]1c1ccc(OCC)c(OCC)c1 5713793 VSLFYIOQKRDLPD-GOSISDBHSA-N 404.488 3.307 0 40 HGAB O=C(CCS(=O)(=O)c1ccccc1)O[C@H](C(=O)N1CCCCC1)c1ccccc1 7082774 YNTLCVHAGGTXFM-NRFANRHFSA-N 415.511 3.147 0 40 HGAB CN1CCN(c2ccc(NS(=O)(=O)c3ccc(Br)s3)cc2)CC1 7109229 DJRJZFXMITXKPP-UHFFFAOYSA-N 416.366 3.063 0 40 HGAB COc1ccc(Br)cc1S(=O)(=O)NCCOc1ccc(C)cc1 7215801 NEIZRSQBFPXNCT-UHFFFAOYSA-N 400.294 3.123 0 40 HGAB COc1cccc(NC(=O)CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)c1 7698953 MHPKJTMYNFGUTF-UHFFFAOYSA-N 415.449 3.129 0 40 HGAB COC(=O)c1ccc(Cl)c(NC(=O)CCCN2C(=O)c3ccccc3C2=O)c1 7792352 XOAJIOOWSCDTSS-UHFFFAOYSA-N 400.818 3.142 0 40 HGAB CCCNC(=O)CSc1nnc(S[C@H](C)C(=O)N2CCCC[C@@H]2CC)s1 8130068 IEIUDLFLQZLRFO-OLZOCXBDSA-N 416.638 3.428 0 40 HGAB Nc1nc(N)nc(COC(=O)c2ccccc2Nc2cccc(C(F)(F)F)c2)n1 8486949 XIIWKPYRFBVPID-UHFFFAOYSA-N 404.352 3.155 0 40 HGAB COc1ccc(OC)c2sc(N(C[C@@H]3CCCO3)C(=O)c3cc(C)on3)nc12 9206935 TYDDUHLIXVTAJS-LBPRGKRZSA-N 403.460 3.436 0 40 HGAB O=C(Nc1nc(-c2ccc3c(c2)OCO3)cs1)c1cccc(N2C(=O)CCC2=O)c1 9404083 IDDMTVPSGDVXPV-UHFFFAOYSA-N 421.434 3.445 0 40 HGAB CC(C)C[C@@H]1NC(=O)N(CC(=O)N(CCc2ccccc2)Cc2ccccc2)C1=O 9538042 ORFVDLSCXNRGCN-NRFANRHFSA-N 407.514 3.224 0 40 HGAB CCn1cc(C(=O)NCc2ccccc2OC)c2nn(-c3ccccc3)c(=O)c-2c1 9661417 YUFHNNBNOYUMLW-UHFFFAOYSA-N 402.454 3.097 0 40 HGAB O=C(NCCSCc1ccco1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 9958181 FXNOTJWEVYVCDQ-UHFFFAOYSA-N 420.512 3.014 0 40 HGAB Cc1cccc2c1N(C(=O)[C@@H]1CCCN(C3=NS(=O)(=O)c4ccccc43)C1)CCC2 10971573 YBDSVNQTKVALSO-GOSISDBHSA-N 423.538 3.135 0 40 HGAB O=c1n(Cc2cccs2)c2cccnc2n1CN1CCC(N2CCCCC2)CC1 12117754 XPKPEZYINZCGIN-UHFFFAOYSA-N 411.575 3.216 0 40 HGAB Cc1ccc2c(c1)C(=O)C[C@H]([C@@H]1CCCN(C(=O)c3cc(-c4cnn(C)c4)on3)C1)O2 12237128 BZUBXCWZJVNMSE-QVKFZJNVSA-N 420.469 3.270 0 40 HGAB Cc1ccc(Nc2nnc(SCC(=O)NCCCN3CCCC3=O)s2)cc1C 12536692 UZYDUHDLXGCISA-UHFFFAOYSA-N 419.576 3.119 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(Cn2c(=S)[nH]c3ccccc3c2=O)s1 12540881 JUZXCJOFSPMPAT-UHFFFAOYSA-N 409.558 3.199 0 40 HGAB C[C@H](Oc1ccc(Br)cc1)C(=O)N(C)Cc1nc2ccsc2c(=O)[nH]1 12745450 VCMIGJCZJVKNRF-JTQLQIEISA-N 422.304 3.173 0 40 HGAB COc1ccc(C)cc1N1C[C@H](C(=O)O[C@@H](C)C(=O)N(C)C2CCCCC2)CC1=O 12804009 PFBILDULXJYONO-DLBZAZTESA-N 416.518 3.079 0 40 HGAB CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@@H]2CCCc3ccccc32)c1 13012769 CXKRIBXBXOZTNZ-HNNXBMFYSA-N 406.935 3.440 0 40 HGAB COc1cccc([C@H]2C(C(=O)OCc3ccccc3)=C(C)Nc3ncnn32)c1OC 13132116 UMQUMRNAIIRWQF-IBGZPJMESA-N 406.442 3.328 0 40 HGAB CCOc1ccccc1CCCNC(=O)[C@@H](C)N(c1ccc(C)cc1)S(C)(=O)=O 13613345 OKAIEPHXKVVWHL-GOSISDBHSA-N 418.559 3.297 0 40 HGAB COC(=O)c1cccc(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)c1 13674435 QSHOBIWZPUTCDH-UHFFFAOYSA-N 424.478 3.307 0 40 HGAB O=C(OC1CCCCC1)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 14464607 FKYIBAVEWQMPML-UHFFFAOYSA-N 423.531 3.125 0 40 HGAB CCC(=O)NC(=S)Nc1c(Br)cc(Br)cc1C(=O)O 16609813 RILLGLFECQIAPB-UHFFFAOYSA-N 410.087 3.133 0 40 HGAB Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(F)c(Cl)c2)C1 18230564 VHVYSOBVHVERAQ-GFCCVEGCSA-N 415.874 3.123 0 40 HGAB Cc1nc(C)n(C[C@@H](C)C(=O)N[C@@H](Cc2ccccc2)c2ccc3c(c2)OCCO3)n1 19285902 CTPZMWAFHZSNHL-IERDGZPVSA-N 420.513 3.402 0 40 HGAB Cc1nccn1CCCC(=O)N1CCC[C@H](c2nc(-c3cccs3)cc(=O)[nH]2)C1 19288090 YVNWBQKBAOJUKE-INIZCTEOSA-N 411.531 3.190 0 40 HGAB NC(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CCCN(C(=O)c2cnccn2)C1 19344556 SFXZLBKASRUUQK-QFIPXVFZSA-N 406.511 3.156 0 40 HGAB O=C(COC[C@H]1COc2ccccc2O1)N1CCC[C@@H](COc2ccccc2F)C1 19375737 LTLLCSSJFBFCHA-MSOLQXFVSA-N 415.461 3.300 0 40 HGAB CCn1cc(S(=O)(=O)N2CCCC[C@@H]2c2nnc(-c3ccsc3)o2)c(C)n1 19524657 PLODPZGZWMIHHT-CQSZACIVSA-N 407.521 3.239 0 40 HGAB Cc1cc(C)n([C@@H](C)CC(=O)N2CCN([C@@H](c3ccccc3)c3nccn3C)CC2)n1 19572915 FTTYGMQIQRFWHG-REWPJTCUSA-N 420.561 3.118 0 40 HGAB COCCN1CC=CCC2(CCN(C(=O)CCc3c[nH]c4ccccc34)CC2)C1=O 19742670 UHKARQVGJRMAQU-UHFFFAOYSA-N 409.530 3.144 0 40 HGAB CNc1cc(CN(C)C(C)=O)nc([C@@H]2CCCN2Cc2ccccc2N2CCCC2)n1 19760574 JICWWEQMVHVNRV-QFIPXVFZSA-N 422.577 3.434 0 40 HGAB C[C@H]1CCC=C2C[C@H]3OC(=O)[C@H](CN4CCN(Cc5ccccc5)CC4)[C@H]3[C@@H](O)[C@@]21C 20411331 WRMKBSBJQCLVBI-PHJBHIMUSA-N 424.585 3.089 0 40 HGAB COc1ccc(C)cc1N(CC(=O)N[C@H](C)c1ccc(C)cc1C)S(C)(=O)=O 20458375 SRWCATSDFWQPCR-QGZVFWFLSA-N 404.532 3.264 0 40 HGAB COCCN1CCN([C@H](C(=O)Nc2ccc(OC)c(Cl)c2)c2ccccc2)CC1 22929760 VZWHDXKVNHHUBS-NRFANRHFSA-N 417.937 3.292 0 40 HGAB Cc1nn(CC(C)C)c(C)c1CCC(=O)Nc1ccc(F)c(NS(C)(=O)=O)c1 25670258 FVPFZPXDBMRDRN-UHFFFAOYSA-N 410.515 3.238 0 40 HGAB O=C(COc1ccccc1)Nc1sc2c(c1C(=O)NC[C@@H]1CCCO1)CCC2 27663173 VOEKDILEULZIRJ-HNNXBMFYSA-N 400.500 3.163 0 40 HGAB O=C(Nc1ccccc1Br)C1=C(c2ccccc2)S(=O)(=O)CCO1 32106136 QWKJKRDJWIBGAH-UHFFFAOYSA-N 408.273 3.201 0 40 HGAB O=C(O)[C@H]1Sc2[nH]c(=O)sc2[C@H](c2ccco2)[C@@H]1C(=O)c1ccc(F)cc1 32597849 VLJQADBFDVUVNF-JMSVASOKSA-N 405.428 3.358 0 40 HGAB O=C1COc2ccccc2N1CC(=O)N(Cc1ccc2c(c1)OCO2)C1CCCC1 32678932 PQNHXQWQPWFQSO-UHFFFAOYSA-N 408.454 3.112 0 40 HGAB O=C(Nc1ccccc1)[C@@H]1CSCN1S(=O)(=O)C1=Cc2ccccc2CC1 32825700 SOQRYMRKWJQGIH-IBGZPJMESA-N 400.525 3.317 0 40 HGAB CSCC[C@H](C(=O)Nc1ccnn1C1CCCC1)N1C(=O)c2ccccc2C1=O 32983076 QCAOCGANVYGSAC-QGZVFWFLSA-N 412.515 3.355 0 40 HGAB COc1ccc(-c2noc(COc3ccccc3C(=O)NC[C@H]3CCCO3)n2)cc1 33012970 ZKNQMWLDOCYWBE-QGZVFWFLSA-N 409.442 3.233 0 40 HGAB COc1ccc2c(c1)c1nc(SCC(=O)Nc3ccccc3C)n(C)c(=O)c1n2C 33287622 VFTYYJYWLFXMIF-UHFFFAOYSA-N 422.510 3.473 0 40 HGAB COc1ccc(-c2cc(C(=O)NC3CCN(Cc4ccccc4)CC3)n(C)n2)cc1 35276893 DNBUEXMFYCZAMW-UHFFFAOYSA-N 404.514 3.490 0 40 HGAB COCc1nnc(NC(=O)[C@@H]2c3ccccc3C(=O)N(C)[C@H]2c2ccccc2)s1 36360108 HIYOPYUBLHYXPV-MSOLQXFVSA-N 408.483 3.234 0 40 HGAB Cc1cccc(N2CCN(CCCCNS(=O)(=O)c3c(F)cccc3F)CC2)c1 36397762 CGQJWVLZCVXRNI-UHFFFAOYSA-N 423.529 3.154 0 40 HGAB CC[C@@H](C)[C@@H](NC(=O)N1CCc2[nH]cnc2[C@@H]1c1cccc(Cl)c1)C(=O)OC 36585743 PJKHFXQCEFVQRK-NJAPINKUSA-N 404.898 3.308 0 40 HGAB CC(C)NC(=O)Nc1cccc(NC(=O)c2ccc(=O)n(Cc3ccccc3)n2)c1 40081763 RMIZOVMFYGNESR-UHFFFAOYSA-N 405.458 3.074 0 40 HGAB NC(=O)COc1ccc([C@H]2CC(O)=Nc3c(C(=O)O)cn(-c4ccccc4)c32)cc1 40267229 URLVQRMMFIHXFA-MRXNPFEDSA-N 405.410 3.163 0 40 HGAB CCCCn1c(=O)c2ccccc2n(CC(=O)Nc2cc(F)ccc2Cl)c1=O 40478552 QLSDZVIQONDKFT-UHFFFAOYSA-N 403.841 3.395 0 40 HGAB COc1cccc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)NCc2cccnc2)c1 44948894 GTXFTMIXWARYAE-INIZCTEOSA-N 405.454 3.426 0 40 HGAB Cc1nc(-c2cccc(NC(=O)C3CCC(CNS(C)(=O)=O)CC3)c2)cs1 49026037 MNCMWJJCQMLKKH-UHFFFAOYSA-N 407.561 3.413 0 40 HGAB Cc1ccc(NC(=O)Cn2c(C)nc(-c3ccccn3)cc2=O)c(Br)c1 49404812 BYRDJWOXOXBQAP-UHFFFAOYSA-N 413.275 3.323 0 40 HGAB COc1ccc(OCc2nc(C)cc(=O)n2CC(=O)Nc2cc(C)ccc2C)cc1 51319390 FXKLKQYKUMHPIF-UHFFFAOYSA-N 407.470 3.395 0 40 HGAB Cc1cc(=O)n(CC(=O)Nc2c(C)cccc2C)c(N2CCc3ccccc3C2)n1 57506519 BOXUPWIHHZATLH-UHFFFAOYSA-N 402.498 3.370 0 40 HGAB O=S(=O)(c1ccc(Br)cc1Cl)N1CCCC[C@H]1C1OCCO1 60348816 MBYWQZHWQBNOSQ-LBPRGKRZSA-N 410.717 3.019 0 40 HGAB Cc1ccc(Sc2nccn3c(=O)n(CC(=O)NC4CCCCC4)nc23)c(C)c1 67255541 URYFYWOEXUNKPG-UHFFFAOYSA-N 411.531 3.108 0 40 HGAB CCOC(=O)C[C@H](c1ccc(OC2CCCC2)cc1)c1oc(CO)cc(=O)c1O 71283603 KMLVNXGPAMOIMA-GOSISDBHSA-N 402.443 3.244 0 40 HGAB O=C(Cn1cc(OCc2ccccc2)c(=O)cc1CO)Nc1ccc2cc[nH]c2c1 71288694 UHWJOSJPLLIJPE-UHFFFAOYSA-N 403.438 3.040 0 40 HGAB C[C@@H](NC(=O)c1cccc(NS(C)(=O)=O)c1)c1nc(-c2ccc(Cl)cc2)no1 72303652 XYYLDQWTDHHWGV-LLVKDONJSA-N 420.878 3.253 0 40 HGAB Cc1cc2c(cc1CN1CCc3onc(Nc4ccccc4)c3C1)n(C)c(=O)n2C 72351381 VUZYXOBNCPCBIM-UHFFFAOYSA-N 403.486 3.475 0 40 HGAB O=C(c1ccccn1)N1CC[C@@H](c2c(C(=O)N3CCOCC3)sc3ccccc23)C1 72352216 XKRCZMKKXLHUKE-MRXNPFEDSA-N 421.522 3.398 0 40 HGAB COc1ccc(/C=C/C(=O)N2CCOC[C@@H]2C[C@H](O)c2cccs2)cc1OC 79057227 VBZFHVYJVDAWDK-IWDGFTLQSA-N 403.500 3.130 0 40 HGAB COc1cccc(/C=C/C(=O)Nc2ccc(Cc3nnn[nH]3)cc2)c1OC(F)F 79110730 UXCJVTQYRPUURE-JXMROGBWSA-N 401.373 3.052 0 40 HGAB COC(=O)[C@@H](CCSC)NC(=O)c1cn(Cc2ccccc2)c(=O)c2ccccc12 80332566 AGWYCTHSNGSSCU-HXUWFJFHSA-N 424.522 3.074 0 40 HGAB COc1ccccc1[C@H](c1nnnn1C(C)(C)C)N1CCN(Cc2ccccc2)CC1 84923867 SRGGYEFLVHOMED-JOCHJYFZSA-N 420.561 3.344 0 40 HGAB COC(=O)Cn1nc(C)c(CNC(=O)[C@H]2C[C@H]2c2cccc(C(F)(F)F)c2)c1C 89512632 LFPCMSGPUKCERZ-HOTGVXAUSA-N 409.408 3.112 0 40 HGAB C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)COc1ccc(N2CCCC2=O)cc1 89937329 XBHQIULKOZHLCJ-CVDCTZTESA-N 421.541 3.219 0 40 HGAB CC(C)C[C@H](NS(=O)(=O)c1ccc(C(C)C)cc1)c1nc(-c2nc[nH]n2)no1 95449600 QDRKFZFYSVUOEP-HNNXBMFYSA-N 404.496 3.044 0 40 HGAB CCOc1ccc(CC(=O)NC[C@H]2CC[C@H](c3nn(C)c4nccnc43)CC2)cc1 100213951 UWRGVVWOUUNYSJ-HDICACEKSA-N 407.518 3.395 0 40 HGAB COC(=O)[C@H]1C[C@H](Oc2ccccc2F)CN1C(=O)c1ccc(-n2cccc2)cc1 206800725 XFDNWWXOVCALPV-AZUAARDMSA-N 408.429 3.452 0 40 HGAB CCOC(=O)[C@]1(N)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(CC)cc1 218566628 GSQPJTPCJRDGDB-CMKODMSKSA-N 407.919 3.103 0 40 HGAB COCCCN(Cc1ccc(C(=O)O)o1)C(=O)c1ccc2nc(Cl)n(C)c2c1 222553108 ROGYGKDZLYJUNB-UHFFFAOYSA-N 405.838 3.197 0 40 HGAB COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccn(-c2ccccc2)c1 223706535 KQVHYEASUBAKEB-SFTDATJTSA-N 406.511 3.408 0 40 HGAB CC(=O)N1CCc2cc(S(=O)(=O)NCCOc3ccccc3C(C)(C)C)ccc21 223733879 VWYWYNKFAPNZHI-UHFFFAOYSA-N 416.543 3.250 0 40 HGAB CCc1ccc(OCCNC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2C)cc1 224098311 MGMDHUJHGNPXGP-UHFFFAOYSA-N 416.543 3.151 0 40 HGAB COc1ccc(S(=O)(=O)NCc2cccc(CN3CCCCC3)c2)cc1OC 224664280 OJMHKJNBOANTDS-UHFFFAOYSA-N 404.532 3.168 0 40 HGAB O=C(O)CN(c1ccc(Br)cc1F)S(=O)(=O)c1ccc(F)cc1 224920142 AAGADCWXEGMXPZ-UHFFFAOYSA-N 406.204 3.007 0 40 HGAB CCNC(=S)Nc1nc(N2CCN(c3ccccc3)CC2)cc(C(F)(F)F)n1 225883888 VMLDDCOAFBELGW-UHFFFAOYSA-N 410.469 3.128 0 40 HGAB COc1ccccc1CNC(=O)COc1nn(-c2ccccc2)cc1Br 227151448 RQDGWCAPRQMOTK-UHFFFAOYSA-N 416.275 3.339 0 40 HGAB CO[C@@H](CNC(=O)CCc1ccc(S(C)(=O)=O)cc1)c1cc2ccccc2o1 253473706 XKWRSCPQUBUHCE-FQEVSTJZSA-N 401.484 3.273 0 40 HGAB Cc1nc2cc([C@@H]3CCCN3C(=O)C3CC3)nn2c(C)c1CCC(=O)NC1CCCC1 257223354 DWYVINIETVGREP-NRFANRHFSA-N 423.561 3.411 0 40 HGAB COCCNC(=O)CN1CCC[C@@H](c2cc(Nc3cccc(F)c3)cc(C)n2)C1 257252297 JUGTWUKLINTLRZ-QGZVFWFLSA-N 400.498 3.215 0 40 HGAB COc1ccccc1C(=O)N1CC[C@H](Oc2ccc(Cl)cc2)[C@@H](CC(N)=O)C1 257260855 LESXCEAEBXYCJU-KSSFIOAISA-N 402.878 3.134 0 40 HGAB COc1ccc(Cl)cc1N([C@H](C)C(=O)NCC1CCCCC1)S(C)(=O)=O 260846156 IUIPHRYACWTLSJ-CYBMUJFWSA-N 402.944 3.200 0 40 HGAB Cc1cccc(N(CC(=O)N[C@H](C)c2ccc3c(c2)CCC3)S(C)(=O)=O)c1C 260943094 TVDJLTXVFYKRJF-QGZVFWFLSA-N 400.544 3.436 0 40 HGAB O=C(COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1)N1CCCCC1 408533008 PDXNRLKNRUSHCK-UHFFFAOYSA-N 414.527 3.219 0 40 HGAB COc1ccc(NS(=O)(=O)c2ccc(NC(=O)N3CCCC3)cc2)cc1OC 408593907 QOPZVGVMIGZUOA-UHFFFAOYSA-N 405.476 3.132 0 40 HGAB CCn1c(COc2ccccc2Cl)nnc1SCC(=O)Nc1ncccn1 409158353 YDQARGSXOWGNGS-UHFFFAOYSA-N 404.883 3.051 0 40 HGAB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NCCC(C)C)cc1 409388312 LKAZLNWGEQIVEP-UHFFFAOYSA-N 418.559 3.091 0 40 HGAB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N1CCCC1)c1ccc(C)c(C)c1 409390148 JRJSYCJWKRHJKC-UHFFFAOYSA-N 416.543 3.438 0 40 HGAB Cc1cc(C)nc(Nc2cc(C)nc([C@@H]3CCCCN3C(=O)/C=C/CN(C)C)n2)n1 585292971 VBGJHRAKXXTUQE-LNENJAERSA-N 409.538 3.107 0 40 HGAB CCOc1ccc(-c2n[nH]cc2CNC(=O)[C@@H]2CC(=O)N(Cc3cccs3)C2)cc1 1775968816 MCHXSURQVFSGAY-MRXNPFEDSA-N 424.526 3.202 0 40 HGAB O=C(NN1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)c1ccccc1F 840299 CCHBPDYHEKCDOC-LIKPIUCQSA-N 412.420 3.363 0 40 HGAB COc1cc(C(=O)N[C@H](c2ccccc2)n2nnc3ccccc32)cc(OC)c1OC 885452 JHJWTRLYVQVGBA-QFIPXVFZSA-N 418.453 3.434 0 40 HGAB O=C(NC(=S)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1cccs1 1298553 KOIGDZXOHOYRFQ-UHFFFAOYSA-N 423.585 3.440 0 40 HGAB aggregator Cc1nn2c(CN(C(=O)CN3CCCC3)c3ccccc3)nnc2c2ccccc12 2365418 YGFRWBSOESETTH-UHFFFAOYSA-N 400.486 3.215 0 40 HGAB O=C(CSc1nc(O)c2cnn(-c3ccccc3)c2n1)N1CCc2ccccc21 2717756 XWJFEWFRYJODJL-UHFFFAOYSA-N 403.467 3.203 0 40 HGAB COc1ccc(-c2nnc(SCC(=O)c3c(C)[nH]c4ccccc34)n2N)cc1OC 3373854 GBBJUNLNTLGWLH-UHFFFAOYSA-N 423.498 3.441 0 40 HGAB CSCC[C@@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)NCc1ccccc1 3376763 OKBRFXVCPKYYJM-OCKXMSAZSA-N 404.557 3.015 0 40 HGAB CCc1ccc(-n2c(SCC(=O)NC[C@@H]3CCCO3)nnc2-c2ccncc2)cc1 3426093 MTOKXSXMSZDWDM-IBGZPJMESA-N 423.542 3.279 0 40 HGAB CCOc1ccccc1NC(=O)CSc1nnc(-c2cccc(Cl)c2)n1N 3472350 DCFHXMAQFFOWII-UHFFFAOYSA-N 403.895 3.442 0 40 HGAB C[C@H](OC(=O)c1ccc(-c2ccccc2)cc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 3521027 ZGLJJJKXROHNAW-HNNXBMFYSA-N 424.478 3.185 0 40 HGAB CCn1c(SCC(=O)Nc2cc(OC)ccc2OC)nc2c(c1=O)S[C@H](C)C2 4107956 ASPNZMXIMRUSMX-LLVKDONJSA-N 421.544 3.048 0 40 HGAB COc1cccc([C@H]2NC(=O)NC(C)=C2C(=O)OCCOC(C)C)c1OC(C)C 4986964 AISTUFOOWRPPHG-GOSISDBHSA-N 406.479 3.079 0 40 HGAB CN(CC(=O)Nc1ccccc1Cl)C(=O)COC(=O)c1ccc2ccccc2n1 5079781 FYBWBOOSGNIWTO-UHFFFAOYSA-N 411.845 3.142 0 40 HGAB CC(C)[C@H](NC(=O)N1CCn2c1nc1ccccc12)C(=O)N[C@H](C)Cc1ccccc1 5451538 NHVKNMSVVTVQEV-UTKZUKDTSA-N 419.529 3.338 0 40 HGAB C[C@@H](OC(=O)CCCc1c[nH]c2ccccc12)C(=O)NCc1ccc2c(c1)OCO2 6376099 MXPUHTLBDFFFFQ-OAHLLOKOSA-N 408.454 3.467 0 40 HGAB CCN(CC)S(=O)(=O)c1cc(C(=O)NCC2(N(C)C)CCCCC2)ccc1C 6654326 KGORDUDFSWGFIZ-UHFFFAOYSA-N 409.596 3.020 0 40 HGAB CC(C)Cn1c(=O)c2ccccc2n2c(CCC(=O)Nc3ccc(F)cc3)nnc12 6803124 WDRZZFZEBSXZBW-UHFFFAOYSA-N 407.449 3.411 0 40 HGAB Cc1cc(C)c(NC(=O)CNC(=O)COC(=O)c2ccc(OC(F)F)cc2)c(C)c1 6944487 TYDXZEPTBQGEBN-UHFFFAOYSA-N 420.412 3.125 0 40 HGAB C[C@@]1(c2ccc3c(c2)OCCO3)NC(=O)N(Cc2ncc(-c3ccccc3)o2)C1=O 7394345 SYONCFIXDLINIO-QFIPXVFZSA-N 405.410 3.080 0 40 HGAB Cc1cc(C(=O)CSc2nnnn2Cc2cccs2)c(C)n1C[C@H]1CCCO1 8341572 YYBXALSDELTNET-OAHLLOKOSA-N 417.560 3.355 0 40 HGAB Cc1ccc(S(=O)(=O)[C@H](CCC(=O)c2ccc(Br)cc2)C(N)=O)cc1 8762133 KHYSSQPPDCCGSF-QGZVFWFLSA-N 424.316 3.048 0 40 HGAB Cc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 9281898 VOPLWFGSMDFFHN-QYUDBREXSA-N 421.884 3.080 0 40 HGAB Cc1cccc(C)c1NC(=O)CSc1nnc(-c2cc(-c3ccccc3)n[nH]2)n1N 9363596 UHWUEOKRDFJGRA-UHFFFAOYSA-N 419.514 3.397 0 40 HGAB CS(=O)(=O)c1ccc(-c2cccc(NS(=O)(=O)c3ccccc3Cl)c2)nn1 9572685 IMRLFWDRZGHJMX-UHFFFAOYSA-N 423.903 3.001 0 40 HGAB Cc1ccc2nc(NC(=O)CSC3=NS(=O)(=O)c4ccccc4N3)sc2c1 9708794 AACFQRSXNRRBLP-UHFFFAOYSA-N 418.525 3.447 0 40 HGAB Cc1ccc(-n2c(=O)[nH]c3c(C(=O)Nc4ccc(Cl)cc4)cn(C)c3c2=O)cc1 9820743 LJIAFGSHRFYQRN-UHFFFAOYSA-N 408.845 3.232 0 40 HGAB COc1cccc(CNC(=O)CSc2nnc3ccc(-c4ccc(F)cc4)nn23)c1 9829134 IYLAYDZTBPVRBL-UHFFFAOYSA-N 423.473 3.348 0 40 HGAB CCS(=O)(=O)N1CCc2cc(C(=O)CSc3nnc(-c4ccco4)o3)ccc21 9949973 ZKGRRIGVBSXBLV-UHFFFAOYSA-N 419.484 3.017 0 40 HGAB COc1ccc(N([C@@H](C)C(=O)NCc2ccc(C)cc2)S(C)(=O)=O)cc1Cl 10366039 KEFBJLPRJWWRCW-AWEZNQCLSA-N 410.923 3.128 0 40 HGAB COC(=O)[C@@H](C)Sc1nc2ccc(Br)cc2c(=O)n1Cc1ccco1 11389667 WOYZDNYOYVZBQM-SNVBAGLBSA-N 423.288 3.454 0 40 HGAB O=C(c1cc(=O)c(OCc2ccccc2)co1)N1CCN(c2ccccc2F)CC1 11856500 YSVIRKMVTKVSDJ-UHFFFAOYSA-N 408.429 3.320 0 40 HGAB CCCc1cc(=O)oc2c(C)c(O[C@@H](C)C(=O)N[C@H](C(=O)O)[C@H](C)CC)ccc12 11866789 FYRDRWHCLLNEML-UHYGZKCKSA-N 403.475 3.437 0 40 HGAB O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)Nc1ccc(N2CCCCCC2)cc1 12515334 ZLXBMQKJIBDHNS-UHFFFAOYSA-N 406.486 3.099 0 40 HGAB COC[C@@H](C)NC(=O)[C@@H](C)SCc1nc2scc(-c3ccccc3)c2c(=O)[nH]1 12778358 XGENUBGDCTYUFB-CHWSQXEVSA-N 417.556 3.424 0 40 HGAB Cc1cc(C)nc(SCC(=O)N(C)CC(=O)Nc2ccccc2Br)n1 13004775 VFHJCDJKIFIEGJ-UHFFFAOYSA-N 423.336 3.045 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)N1CCCc2ccccc21 13596281 YUWPFUPRYFQXDF-UHFFFAOYSA-N 400.500 3.073 0 40 HGAB CCc1nnc2ccc(N3CCN(C(=O)Nc4ccc(C(F)(F)F)cc4)CC3)nn12 13700610 WQCRQYDIRZNHLS-UHFFFAOYSA-N 419.411 3.060 0 40 HGAB CC[C@H](C(=O)NCc1ccc(OC)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O 13714364 DMJFFQNJUYWELV-GOSISDBHSA-N 410.923 3.210 0 40 HGAB O=S(=O)(c1cccc(Br)c1)N1CCC[C@@H]1c1nnc2ccccn12 14187704 DHXWXGTZRFSFOZ-CQSZACIVSA-N 407.293 3.018 0 40 HGAB COc1cc([C@H]2CC(=O)c3c(cc(OC)c(OC)c3OC)O2)cc(OC)c1OC 14436431 CYJWWPSCJSSHJX-CYBMUJFWSA-N 404.415 3.445 0 40 HGAB biogenic,in-vitro C[C@@H](NC(=O)COc1ccccc1Cc1ccccc1)c1ccc(S(N)(=O)=O)cc1 16045422 LPUKZVCDRPDGLR-QGZVFWFLSA-N 424.522 3.181 0 40 HGAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](C)c2ccccc2)cc1Cl 16692476 NOUHVMBIPKXUMD-AWEZNQCLSA-N 410.923 3.237 0 40 HGAB O=C(CN1CCN(C(=O)c2ccccc2C(F)(F)F)CC1)Nc1cccc(F)c1 18133624 LDSIUCGHKIVYHE-UHFFFAOYSA-N 409.383 3.241 0 40 HGAB Cc1cc2n(n1)[C@@H](C(F)F)C[C@@H]([C@H]1CCCN(C(=O)CN3CCC(C)CC3)C1)N2 19127858 RNRYKAWQZKHYPL-OKZBNKHCSA-N 409.525 3.152 0 40 HGAB c1ccc(Cn2nnnc2[C@H](c2ccccc2)N2CCN(C3CCCC3)CC2)cc1 19372836 OEFNWPHOLYOALC-QHCPKHFHSA-N 402.546 3.371 0 40 HGAB CC[C@@H](C)C(=O)N1CCC[C@H]1c1cc2nc3c(c(O)n2n1)CN(C1CCCC1)CC3 19499834 GBKUTRMBFMWRMB-QRWLVFNGSA-N 411.550 3.445 0 40 HGAB CCC(CC)C(=O)N1CCO[C@](Cc2cccc(-c3cccnc3)c2)(C(=O)NC)C1 19500220 UWLABKMBBRVKKA-DEOSSOPVSA-N 409.530 3.071 0 40 HGAB CCc1nn(C)c(C(=O)N[C@H](Cc2cc(=O)[nH]c(C3CCC3)n2)c2ccccc2)c1C 19521042 NZSSHTFFEXZMFY-HXUWFJFHSA-N 419.529 3.356 0 40 HGAB COc1cccc(N2C[C@H](NC(=O)CCc3nc4cc(Cl)ccc4[nH]3)CC2=O)c1 19565769 UBRRGQSLEKKJDN-CQSZACIVSA-N 412.877 3.079 0 40 HGAB Cc1[nH]c2c(C)ccc(C)c2c1CC(=O)NCCS(=O)(=O)c1ccc(F)cc1 19716818 YLIYNNSXHMCMTA-UHFFFAOYSA-N 402.491 3.365 0 40 HGAB CNc1cc(CN(C)C(=O)c2cccc3cccnc23)nc([C@@H]2CCCN2C(C)=O)n1 19759843 ZQTDSPWDRMOPPM-IBGZPJMESA-N 418.501 3.022 0 40 HGAB Cc1ccc(NC(=O)CSc2nnc(CN3CCOCC3)n2-c2ccccc2)cc1 19798760 RVNHBAMWBFOVRS-UHFFFAOYSA-N 423.542 3.139 0 40 HGAB CCC(=O)Nc1cc(S(=O)(=O)N[C@@H](C)c2ccc(OC)c(OC)c2)ccc1OC 20025231 OFZUNBUKGXXJTN-ZDUSSCGKSA-N 422.503 3.100 0 40 HGAB COc1ccc([C@H](C)NC(=O)[C@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)cc1 20450466 QZUNOUCDUJXVFQ-KBPBESRZSA-N 410.923 3.381 0 40 HGAB CC(C)c1nnc2ccc(N3CCC(C(=O)NCc4ccccc4Cl)CC3)nn12 20723362 JTADLNATBRJPIO-UHFFFAOYSA-N 412.925 3.434 0 40 HGAB CC(C)N(CCNC(=O)Cn1cnc2scc(-c3cccs3)c2c1=O)C(C)C 22623209 NVFDJSSVIUTBPR-UHFFFAOYSA-N 418.588 3.422 0 40 HGAB C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)NCCSCc1ccc(Cl)cc1)C2=O 22983654 NFCBSBRTALTJKA-XOBRGWDASA-N 423.966 3.190 0 40 HGAB CCOC(=O)C1CCN([C@H](c2ccc(C)cc2)c2sc3nc(C)nn3c2O)CC1 23156855 BHTDGXWXZUQEON-QGZVFWFLSA-N 414.531 3.478 0 40 HGAB O=C(Nc1ccc(CNC(=O)N2CCC[C@@H]2C(=O)Nc2ccccc2)cc1)C1CC1 23174411 DXSZSLFOJLLPPW-HXUWFJFHSA-N 406.486 3.348 0 40 HGAB COc1cccc(NC(=O)COc2ccc(C(=O)NCc3ccc(C)n3C)cc2)c1 23574909 MUVKZPAIYXUOGR-UHFFFAOYSA-N 407.470 3.290 0 40 HGAB Cc1cc2n(C[C@H](O)COc3ccc(Oc4ccccc4)cc3)c(C)cc(=O)n2n1 24757129 BQSFZXRIOHVSIK-SFHVURJKSA-N 405.454 3.345 0 40 HGAB CCc1cc2c(=O)n(C[C@@H](O)COc3ccc(Br)cc3)cnc2s1 24988758 MOCQWMLDKFYJGA-GFCCVEGCSA-N 409.305 3.223 0 40 HGAB CNC(=O)c1cccc(CNS(=O)(=O)c2ccc(OC(C)C)c3ccccc23)c1 30335142 GVAMJALDSNVYJL-UHFFFAOYSA-N 412.511 3.465 0 40 HGAB COc1cccc(C(=O)N2CCN(C(=O)Cc3cccc(C(F)(F)F)c3)CC2)c1 30898616 BLKFCRZCINLABG-UHFFFAOYSA-N 406.404 3.241 0 40 HGAB COc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)cc1Cl 31491016 UYEVMJZJDSEZEQ-AWEZNQCLSA-N 408.907 3.388 0 40 HGAB O=c1c2ccccc2c(-c2ccc(Br)cc2)nn1CN1CCOCC1 31732398 USDYXKYZOLOBIG-UHFFFAOYSA-N 400.276 3.116 0 40 HGAB COC(=O)CCCNC(=O)N1CCc2[nH]cnc2[C@@H]1c1cccc(Cl)c1Cl 31808502 QUGWFIQBOWLMTB-KRWDZBQOSA-N 411.289 3.327 0 40 HGAB CCOc1ccc(N2C[C@H](C(=O)N[C@H](CC(=O)OC)c3ccc(C)cc3)CC2=O)cc1 32821070 LICTZCIQWDIRQX-WIYYLYMNSA-N 424.497 3.167 0 40 HGAB Cc1ccc2nc(COC(=O)c3ccccc3S(=O)(=O)N3CCCCC3)cn2c1 32829934 LSUBEMFADGDLCX-UHFFFAOYSA-N 413.499 3.174 0 40 HGAB C#CCn1cc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)c2ccccc21 34882805 RYROCGHZDJYCLA-UYRXBGFRSA-N 407.495 3.323 0 40 HGAB COc1ccc(CCNC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)cc1OC 38848989 ZZALJISUWMLLLJ-LJQANCHMSA-N 400.494 3.414 0 40 HGAB CCN(CC(=O)Nc1cccc(F)c1)S(=O)(=O)c1ccc(Br)cc1 39985330 SWSJEZGSYFKBFC-UHFFFAOYSA-N 415.284 3.238 0 40 HGAB Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(Nc4ccc(F)cc4)[nH]c(=O)c32)cc1 40399603 ZQVJHBPYEOJEFU-OAHLLOKOSA-N 407.405 3.026 0 40 HGAB Cc1cc(C)cc(NC(=O)[C@@H]2CC(=O)Nc3nc(Nc4ccc(F)cc4)[nH]c(=O)c32)c1 40399619 DELLEZCTXOWFCX-MRXNPFEDSA-N 421.432 3.334 0 40 HGAB CC(=O)Nc1ccc(NC(=O)CSCc2nc3sc(C)cc3c(=O)[nH]2)cc1 44918552 RVWCCYCWPWSEOM-UHFFFAOYSA-N 402.501 3.123 0 40 HGAB CN(Cc1cc(Br)cs1)C(=O)CCn1c(=O)n(C)c2ccccc21 48327839 YRRQNPUNVGIOCE-UHFFFAOYSA-N 408.321 3.213 0 40 HGAB O=C(CCCNC(=O)NC1CCCCC1)NC1CCN(Cc2ccccc2)CC1 48332932 SUTZTQUOTTXODS-UHFFFAOYSA-N 400.567 3.179 0 40 HGAB CCNC(=O)COc1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1OC 48337981 PPAFOIJLNOBANE-UHFFFAOYSA-N 400.519 3.043 0 40 HGAB COc1ccc(CNC(=O)CN2C(=O)COc3cc(C(C)(C)C)ccc32)cc1OC 51316217 KOQVVSPUMVQKPH-UHFFFAOYSA-N 412.486 3.043 0 40 HGAB NC(=O)c1cccc(OC(=O)C[C@@H]2Sc3ccc(C(F)(F)F)cc3NC2=O)c1 51829205 PXWSZAVAFAORES-AWEZNQCLSA-N 410.373 3.213 0 40 HGAB Cc1ccc(C)c([C@H]2NC(=O)N(CC(=O)Nc3cccc(C)c3C)C3=C2C(=O)OC3)c1 67288851 DRGNJQVGEMUMJZ-JOCHJYFZSA-N 419.481 3.436 0 40 HGAB Cc1ccc(N2CCN(c3ncc(C(=O)Nc4ccccc4)c(N)n3)CC2)c(C)c1 67336576 AFGXSOKRCHGNMQ-UHFFFAOYSA-N 402.502 3.255 0 40 HGAB O=C(Cn1nc(-c2ccccc2F)ccc1=O)N1CCc2[nH]c3ccccc3c2C1 72401376 BJGZPHZXXDLKFK-UHFFFAOYSA-N 402.429 3.116 0 40 HGAB CCOC(=O)C1=C(C)N=c2s/c(=C/C=C/c3ccco3)c(=O)n2[C@H]1c1ccccc1 84792369 LXDSXHRYVSDJGD-DSEXIVOBSA-N 420.490 3.056 0 40 HGAB CC(C)(C)OC(=O)[C@@H](NC(=O)C1CCN(C(=O)C(C)(C)C)CC1)c1ccccc1 89621239 KLWRYACHBYSEPV-SFHVURJKSA-N 402.535 3.470 0 40 HGAB CC(C)C(=O)Nc1nc(CC(=O)N2CCC[C@@H]2Cn2cnc3ccccc32)cs1 89775731 HOQSNRYBTVHHGT-MRXNPFEDSA-N 411.531 3.321 0 40 HGAB O=C(OC1CCN(c2ccc(Cl)cn2)CC1)c1ccc(N2CCNC2=O)cc1 95960081 HBMBUSCXYKAZAE-UHFFFAOYSA-N 400.866 3.090 0 40 HGAB CN(C)C1CCN(C(=O)c2ccnn2-c2ccc3ccc(-c4cccnc4)cn23)CC1 96155250 WQPZULOZAJDEBS-UHFFFAOYSA-N 414.513 3.353 0 40 HGAB COc1ccc(CNC(=O)[C@H]2[C@@H](c3nc4ccccc4c(=O)[nH]3)[C@H]3C=C[C@H]2C3)cc1 100453944 VRPOFNYIMQADJP-SNHGZMDHSA-N 401.466 3.154 0 40 HGAB CC(C)COC(=O)[C@@H]1C(=O)C[C@@](C)(O)[C@H](C(=O)OCC(C)C)[C@@H]1c1ccc(F)cc1 102006703 XPJNTNUMQIGRLO-ISHFTEKXSA-N 422.493 3.264 0 40 HGAB CS(=O)(=O)N(CC(=O)N1CCC(Cc2ccccc2)CC1)c1ccc(F)cc1F 220083966 FNSGUMKRHGPDOU-UHFFFAOYSA-N 422.497 3.212 0 40 HGAB CCc1ccccc1NC(=O)[C@H](C)N(c1cc(OC)ccc1OC)S(C)(=O)=O 220206408 LNYQOPTVFRBBTP-AWEZNQCLSA-N 406.504 3.059 0 40 HGAB C[C@@H](C(=O)NCCCc1ccccc1Cl)N(c1ccccc1F)S(C)(=O)=O 220312959 ZBRVFRPIGXCTFN-AWEZNQCLSA-N 412.914 3.383 0 40 HGAB CC[C@@H](C(=O)N[C@H](C)CCc1ccccc1)N(c1ccc(OC)cc1)S(C)(=O)=O 220650526 PCAHSXNSWBKPPS-UTKZUKDTSA-N 418.559 3.377 0 40 HGAB CS(=O)(=O)N(CC(=O)NCc1ccc2ccccc2c1)Cc1ccccc1F 222820185 RHGGLOZXRLZBDU-UHFFFAOYSA-N 400.475 3.057 0 40 HGAB C[C@H](C(=O)NC[C@H]1CCCO1)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1 222921404 ZFIOEKIDEGUPML-XMSQKQJNSA-N 412.505 3.471 0 40 HGAB C[C@H](NC(=O)c1ccc(N(C)S(=O)(=O)N(C)C)cc1)c1ccc2c(c1)CCCC2 222952101 NWVLGIVJKMCTGI-INIZCTEOSA-N 415.559 3.299 0 40 HGAB CC[C@@H](C(=O)NC)N(Cc1ccccc1)C(=O)COc1ccc(Br)cc1 222952166 FTJFHWYBOPMEQI-SFHVURJKSA-N 419.319 3.381 0 40 HGAB COCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1cccc(OC)c1 223021411 KTFSRIBYCHPAHL-LEWJYISDSA-N 408.527 3.500 0 40 HGAB COC(=O)c1cccc(S(=O)(=O)N[C@@H]2CC(C)(C)Oc3cc(OC)ccc32)c1 223664856 YHSDHUMXGYAEHP-QGZVFWFLSA-N 405.472 3.063 0 40 HGAB Cc1ccc(C)c(OCCNC(=O)CN(c2ccc(C)c(Cl)c2)S(C)(=O)=O)c1 223992141 AYXJNCQQSLXIEY-UHFFFAOYSA-N 424.950 3.226 0 40 HGAB CC(C)Sc1nnc(NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)s1 224170972 ROSAMNYQHUFUOD-UHFFFAOYSA-N 412.562 3.075 0 40 HGAB COC(=O)c1cc(S(=O)(=O)NCCOc2ccc(Cl)cc2)ccc1Cl 225113368 CXBGTRUAPTYCQV-UHFFFAOYSA-N 404.271 3.137 0 40 HGAB COc1ccc(CCNS(=O)(=O)c2ccc3c(c2)sc(=O)n3C(C)C)cc1 225705122 SQIHMNNHHNBRSQ-UHFFFAOYSA-N 406.529 3.174 0 40 HGAB Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccco2)N2CCSCC2)cc1Cl 245170791 XGQWUBJYVVPWJZ-MRXNPFEDSA-N 407.923 3.086 0 40 HGAB CO[C@@H]1CCC[C@@H](C(=O)N2CCC[C@H]2c2n[nH]cc2-c2ccnc(N3CCCC3)n2)C1 248125812 HHHITXXSELALQV-HLIPFELVSA-N 424.549 3.336 0 40 HGAB C[C@@H](CCC(=O)O)[C@@H]1CC[C@@H]2[C@H]3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@@H]3C[C@@H](O)[C@@]12C 253609808 NKRVAQNWPRPQDK-PQNHBOFQSA-N 406.563 3.369 0 40 HGAB CC1(C)Cc2cc(CN3CCO[C@@H](c4ncncc4-c4ccnc(N)c4)C3)ccc2O1 257234028 GRUPGLJLNSAURR-OAQYLSRUSA-N 417.513 3.408 0 40 HGAB CCN(CC(=O)N[C@H](C)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC)cc1 260625095 ZDCHKQGNMALOSC-CQSZACIVSA-N 410.923 3.237 0 40 HGAB Cc1cc(C)cc(N(CCCC(=O)N[C@H](C)COc2ccccc2)S(C)(=O)=O)c1 260767879 PUIOPXAJIVIWRZ-LJQANCHMSA-N 418.559 3.433 0 40 HGAB CC[C@@H](C(=O)N[C@H](C)c1ccccc1OC)N(c1ccc(F)cc1)S(C)(=O)=O 260808257 HXXMCPNWZJOZSN-KDOFPFPSSA-N 408.495 3.256 0 40 HGAB Cc1ncsc1CN1CCC2(CC1)CN(C)Cc1nnc(-c3ccc(F)cc3)n12 306133601 MQOVKYVZBWQWTI-UHFFFAOYSA-N 412.538 3.286 0 40 HGAB COc1c(F)c(F)cc(C(=O)N2CC[C@@H](c3ccccc3)S(=O)(=O)CC2)c1F 390831892 VSZLHSCIKSUUQR-HNNXBMFYSA-N 413.417 3.115 0 40 HGAB CCOc1ccccc1N1C[C@@H](C(=O)O[C@H](C)C(=O)c2ccc(OC)cc2)CC1=O 408656456 SKROXGRWQFKSKZ-WBVHZDCISA-N 411.454 3.261 0 40 HGAB CCCNC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1 409129865 MLMLJMQEGXPLMI-UHFFFAOYSA-N 411.321 3.171 0 40 HGAB CC1=NN(C(=O)COc2ccc(F)cc2)[C@@](O)(c2ccc(Br)cc2)C1 409361925 RGQAKSYHALIRBY-SFHVURJKSA-N 407.239 3.421 0 40 HGAB Cc1cc(C)cc(N([C@@H](C)C(=O)NCCSc2ccccc2)S(C)(=O)=O)c1 409412406 WEALTDDUYCFATK-KRWDZBQOSA-N 406.573 3.366 0 40 HGAB CCN(CCNC(=O)c1cccc(S(=O)(=O)N(C)c2ccc(C)cc2)c1)C1CC1 523610700 LMCBDFLMOXVLEE-UHFFFAOYSA-N 415.559 3.034 0 40 HGAB COc1c[nH]c(C(=O)Nc2ccc3c(c2)nc(CCc2ccccc2)n3C)cc1=O 524734075 UEJSJZFXAIJLGH-UHFFFAOYSA-N 402.454 3.308 0 40 HGAB CC(=O)c1cccc(OCc2cc(C(=O)Nc3ccn(Cc4ccncc4)n3)no2)c1 539938896 UVPDAKANONMDNG-UHFFFAOYSA-N 417.425 3.348 0 40 HGAB COc1ccc(S(=O)(=O)NC[C@H]2CCN(c3ccccc3OC)C2)c(Cl)c1 583255787 ZXHWHYPKNRADOY-CQSZACIVSA-N 410.923 3.162 0 40 HGAB COC(=O)Cc1ccc(S(=O)(=O)Nc2cc(C)nn2-c2ccc(Cl)cc2)cc1 609588430 VJKMSFYCNYYVEL-UHFFFAOYSA-N 419.890 3.350 0 40 HGAB O=C(Cc1cn2c(n1)CCCC2)N[C@@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1 1615613082 OZWZKKKFVNFYLI-OAHLLOKOSA-N 411.456 3.035 0 40 HGAB COC(OC)C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(C(C)(C)C)C(=O)[C@@H]12 712319 SKWPXXIGEJKHRT-RAOJWKPXSA-N 405.494 3.450 0 40 HGAB O=C(CCNC(=O)/C(=C/c1ccccc1)NC(=O)c1ccco1)OCc1ccccc1 2275859 YENLMVOZOQMYGI-SILNSSARSA-N 418.449 3.300 0 40 HGAB Cc1nn(C)cc1[C@H](C)NC(=O)[C@@H](C)n1nc(C(F)F)c(Br)c1C 2780447 LYIUBPPBLUSKCC-OIBJUYFYSA-N 404.259 3.372 0 40 HGAB COc1cc(C(=O)OCC(=O)Nc2ncc(Cl)cc2Cl)cc(OC)c1OC 3260839 LAXQELQJZYFZMX-UHFFFAOYSA-N 415.229 3.210 0 40 HGAB O=C(CNS(=O)(=O)c1cccc(Cl)c1)OCc1csc(-c2ccccc2)n1 3350813 SURMNANHKVKCJO-UHFFFAOYSA-N 422.915 3.485 0 40 HGAB O=C(CSc1nnc(COc2ccccc2Cl)o1)NC(=O)c1ccccc1 3364744 KUDIFPLFVBXOTN-UHFFFAOYSA-N 403.847 3.351 0 40 HGAB COc1ccc(NC(=O)CSc2ncnc3c2nnn3-c2ccc(F)cc2)cc1 4166685 KBFNEFWNKQUUOJ-UHFFFAOYSA-N 410.434 3.089 0 40 HGAB COc1cccc(N2C[C@@H](NC(=O)NCCn3c(C)cc4ccccc43)CC2=O)c1 5087810 JKEQAOPSHROEAE-SFHVURJKSA-N 406.486 3.063 0 40 HGAB CCOC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1cc2c(cn1)[nH]c1ccccc12 5833071 ALFWRCXPSNBSKH-FQEVSTJZSA-N 403.438 3.326 0 40 HGAB Cc1nc(Cc2nnc(S[C@H](C)C(=O)Nc3ccc4c(c3)OCO4)o2)cs1 5833332 XGQNMSLZYWSFEW-SECBINFHSA-N 404.473 3.273 0 40 HGAB O=C(N[C@@H]1CCCc2ccccc21)[C@@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1 7547765 SFWIWSVYOZFWRW-YLJYHZDGSA-N 423.538 3.041 0 40 HGAB C[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)c1ccc(F)cc1 8303265 MZTMSWOFHKNOKR-HOCLYGCPSA-N 408.470 3.243 0 40 HGAB C[C@H]1Cc2ccccc2N1C(=O)CN1C(=O)N[C@@]2(CCCCc3ccccc32)C1=O 8703861 IKVBSKCCMNFRBM-UPCLLVRISA-N 403.482 3.138 0 40 HGAB Cc1ccc(NC(=O)CN2C(=O)S/C(=C\C(=O)Nc3ccc(F)cc3)C2=O)cc1 9971238 COVCRGKMNKMRBF-YBEGLDIGSA-N 413.430 3.291 0 40 HGAB CC(=O)N1CCN(C(=O)CSc2nc3ccccc3n2C2CCCCC2)CC1 10398353 RGTDNLPYMJMTMZ-UHFFFAOYSA-N 400.548 3.324 0 40 HGAB Cc1cc(=O)oc2cc(OCC(=O)N(C)Cc3cnn(-c4ccccc4)c3)ccc12 10897773 IXFSKNWXMWUKAB-UHFFFAOYSA-N 403.438 3.325 0 40 HGAB CCOC(=O)c1cc(O[C@@H](C)C(=O)N2CCc3ccccc32)cc(C(=O)OCC)c1 11211828 MRNNFGAXDHQNRH-HNNXBMFYSA-N 411.454 3.397 0 40 HGAB CCOc1cc(CCC(=O)N2CCCC[C@H]2c2cc3nc(CC)cc(O)n3n2)on1 12161366 PPORSUSYHXOENH-KRWDZBQOSA-N 413.478 3.070 0 40 HGAB COc1cccc([C@@H]2CC(=O)Nc3c2cnn3Cc2ccc3c(c2)OCO3)c1OC 12371639 DOANCFZDXUVEAJ-HNNXBMFYSA-N 407.426 3.151 0 40 HGAB Cc1ccc(NC(=O)CSc2nc3c(=O)[nH]cnc3n2-c2ccccc2)c(C)c1 12447106 JKTCWQHDDUNPIN-UHFFFAOYSA-N 405.483 3.456 0 40 HGAB biogenic,in-vitro O=C(COC(=O)/C=C/c1cccc(Br)c1)Nc1ccc2c(c1)OCCO2 13146498 UDUZMFNWNSNCCL-QPJJXVBHSA-N 418.243 3.415 0 40 HGAB O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)c1ccc(N2CCCCC2=O)cc1 13260071 CSVOIBJVOKKLLW-FQEVSTJZSA-N 405.454 3.111 0 40 HGAB COc1ccc(S(=O)(=O)N(CC(=O)N2CCC[C@H](C)C2)c2ccccc2)cc1 13674105 OQWJKIPZWYIEMV-KRWDZBQOSA-N 402.516 3.149 0 40 HGAB COc1cccc(/C=C2\NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)c1OC(C)C 13897282 PBHMKWMDSNNVBD-PDGQHHTCSA-N 423.469 3.322 0 40 HGAB COC(=O)C[C@H](NC(=O)c1ccccc1C(=O)O)c1ccc(Br)cc1C 13943079 NQRZSTDRGCPYEI-INIZCTEOSA-N 420.259 3.490 0 40 HGAB COc1ccc(N2C[C@H](c3nnc(NC(=O)c4ccc(F)cc4)s3)CC2=O)cc1 13944281 HAAKJVPKQUOYNZ-CYBMUJFWSA-N 412.446 3.459 0 40 HGAB COc1ccc(Cn2nnnc2SCC(=O)N2CCC[C@H]3CCCC[C@H]32)cc1 14139218 ZHUOJRQWUHLDLU-SJLPKXTDSA-N 401.536 3.003 0 40 HGAB Cn1c(-c2ccc(C(C)(C)C)cc2)nn(CN2CCN(c3cnccn3)CC2)c1=S 14200347 SNSJIVAYZGNKRU-UHFFFAOYSA-N 423.590 3.485 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cc(F)ccc3F)CC2)cc1 15004975 ZZTVHBSUUOQYQP-UHFFFAOYSA-N 410.442 3.013 0 40 HGAB COc1ccc(C2=NO[C@@H]3C(=O)N(c4ccc5ccccc5c4)C(=O)[C@@H]23)cc1OC 16013205 FKCWRXQHFQSHKJ-FPOVZHCZSA-N 402.406 3.150 0 40 HGAB O=c1c(-c2ccc(Br)cc2)[n+]([O-])c2ccccc2n1OCc1ccco1 16957317 YVBRVQVJPXPECP-UHFFFAOYSA-N 413.227 3.286 0 40 HGAB CN(C)C(=O)[C@@]1(Cc2ccc(-c3ccsc3)cc2)CCN(C(=O)c2ccnn2C)C1 19289076 PYHWCZLSYHNFMH-HSZRJFAPSA-N 422.554 3.312 0 40 HGAB Cc1cc(OCC(=O)N2CCO[C@H](c3nc(-c4ccccn4)no3)C2)ccc1Cl 19570738 ITNKOXXETURJAK-KRWDZBQOSA-N 414.849 3.072 0 40 HGAB COCCC(=O)N1CCC[C@](Cc2ccc(-c3ccc(OC)cc3)cc2)(C(N)=O)C1 19593115 DPDINFBEKFRPLK-XMMPIXPASA-N 410.514 3.035 0 40 HGAB COc1ccc2c(c1)C=C(CN1CCO[C@H](c3ccc(-c4cc[nH]n4)cn3)C1)CO2 19692467 NBYQHRLHZIIQBM-QHCPKHFHSA-N 404.470 3.330 0 40 HGAB CN1CCN(c2c(S(=O)(=O)c3ccc(Cl)cc3)cnc3ccccc23)CC1 20381873 QBJYRAKLSRNKNZ-UHFFFAOYSA-N 401.919 3.473 0 40 HGAB CCCCNC(=O)c1ccccc1NC(=O)c1ccc(NS(C)(=O)=O)cc1Cl 20460608 FMRFCVKYDNRPJC-UHFFFAOYSA-N 423.922 3.494 0 40 HGAB Cc1cc(C)cc(OCc2nnc(S[C@H](C)C(=O)N(C(C)C)C(C)C)n2N)c1 21628556 UTUIIMBCHOOBSQ-MRXNPFEDSA-N 405.568 3.314 0 40 HGAB C[C@@H](NC(=O)CN1CCN(Cc2ccc3c(c2)CCO3)CC1)c1cc2ccccc2o1 22807185 IJFJFBVKLBJBTM-GOSISDBHSA-N 419.525 3.363 0 40 HGAB O=C(c1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCO2)N1CCCCCC1 22965365 JJEAVZQTMGWICP-UHFFFAOYSA-N 416.499 3.275 0 40 HGAB COC(=O)[C@@H](N[C@@H]1C(C)=C(C)C(=O)N1Cc1ccc(OC)cc1)c1cccc(OC)c1 23485331 LQSRVDBUUOFYMZ-VXKWHMMOSA-N 424.497 3.212 0 40 HGAB O=c1n(CCSc2nnc(-c3ccccc3Br)o2)nc2ccccn12 32815455 DBKRRXCBGOZOMI-UHFFFAOYSA-N 418.276 3.101 0 40 HGAB COc1ccc(OC)c([C@@H]2CCCN2Cc2ccc(S(=O)(=O)N3CCCC3)o2)c1 32932819 MLWDTIGOUAYDFE-IBGZPJMESA-N 420.531 3.418 0 40 HGAB O=C(c1csc(-c2cc3ccccc3[nH]2)n1)N1CCN(C(=O)c2ccco2)CC1 35598434 XRYNSGBCGWRSQZ-UHFFFAOYSA-N 406.467 3.483 0 40 HGAB C[C@@H](CNC(=O)c1cc(C2CC2)nc2c1cnn2C)Cn1ccc(C(F)(F)F)n1 36616067 BMDCTRPTLNHOGG-NSHDSACASA-N 406.412 3.127 0 40 HGAB O=C(CN1CCC(CCc2ccc(O)cc2)CC1)N[C@@H]1CCN(Cc2ccccc2)C1 40050463 POKNJVITGNFJOY-XMMPIXPASA-N 421.585 3.428 0 40 HGAB CCOC(=O)CSc1nnc(NC(=O)COc2ccc(C(F)(F)F)cc2)s1 40140445 GAFPIHUQBAIFQB-UHFFFAOYSA-N 421.422 3.230 0 40 HGAB Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1CC(=O)NCCNc1cnccn1 48309658 IEYXSZLVDFRBIA-UHFFFAOYSA-N 418.423 3.069 0 40 HGAB C[C@@H](Sc1nnc(C2CC2)n1Cc1ccco1)C(=O)Nc1sccc1C(N)=O 48342528 XSUBKBSOYPAZPE-SNVBAGLBSA-N 417.516 3.077 0 40 HGAB COCCn1cnc2c(-c3ccccc3)cn(CC(=O)Nc3ccccc3C)c2c1=O 48987173 LRIYXOPKSVINRZ-UHFFFAOYSA-N 416.481 3.459 0 40 HGAB O=C(CN1CCN(c2nccs2)CC1)Nc1ccc(Br)cc1Cl 54635485 BZRVTYIZEHUKBE-UHFFFAOYSA-N 415.744 3.320 0 40 HGAB Cc1[nH]c2ccc(C(=O)N3CCC(C(=O)NCC(C)(C)CN(C)C)CC3)cc2c1C 57984651 OCJGSOVZEUFVAW-UHFFFAOYSA-N 412.578 3.341 0 40 HGAB C[C@@]12CC[C@@H](C[C@@H]1C(=O)NCCc1ccncc1)[C@@]1(C2)NC(=O)c2ccccc2O1 72339093 NCVKOCNEDUKGLS-GOMRNUEMSA-N 405.498 3.085 0 40 HGAB Cc1cc(Cc2ccccc2)cc([C@@H]2CCCN(S(=O)(=O)c3cn(C)cn3)C2)n1 72354242 DGBMOZCGYNMTEI-HXUWFJFHSA-N 410.543 3.283 0 40 HGAB CCOc1ncc([C@]2(O)CC[C@H]3CN(Cc4ccccc4F)C[C@H]32)c(OCC)n1 72392641 UKMMTCYXDJMTON-QXATTWAWSA-N 401.482 3.143 0 40 HGAB O=C(Cn1c(=O)oc2ccccc21)N[C@@H]1CCC[C@@H](OC(=O)Nc2ccccc2)C1 77200205 IPUCYSVTNBELHA-IAGOWNOFSA-N 409.442 3.271 0 40 HGAB COc1ccc(C(=O)CNC(=O)CCc2c(C)c3ccc(OC)c(C)c3oc2=O)cc1 85879841 JCZYTDBFXCFVEB-UHFFFAOYSA-N 423.465 3.359 0 40 HGAB biogenic COc1cc(OC)cc(-c2nnc(SCC(=O)Nc3cccc(Cl)c3)n2N)c1 89424040 IHSOZXCIQSQJRZ-UHFFFAOYSA-N 419.894 3.060 0 40 HGAB O=C(C[C@H](Cn1cnnn1)c1ccc(Cl)cc1)NCCCc1nc2ccccc2[nH]1 95473023 WNLFOCKDBAWGQT-MRXNPFEDSA-N 423.908 3.126 0 40 HGAB Cc1ccc(CN2Cc3ccccc3C3(CCN(S(=O)(=O)N(C)C)CC3)C2)s1 96242501 FCYDHWHTKFRZRF-UHFFFAOYSA-N 419.616 3.212 0 40 HGAB O=C(COc1ccc2c3c(c(=O)oc2c1)CCC3)NC[C@H]1CCCN2CCCC[C@H]12 96343562 FSFQLCYXLPWMPS-IIBYNOLFSA-N 410.514 3.041 0 40 HGAB CCOc1ccc2c(c1)[C@@H](NC(C)=O)C(=O)N2Cc1cc2c(cc1Cl)OCO2 101401945 YETQFPJIRSSNFW-LJQANCHMSA-N 402.834 3.191 0 40 HGAB C[C@@H](C(=O)Nc1cccc(NC(=O)c2ccco2)c1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 102708712 CPCCSNBQINACSN-RRQGHBQHSA-N 409.442 3.034 0 40 HGAB O=C1N[C@H](c2c(F)cccc2Cl)[C@@H](C(=O)C(F)(F)F)[C@@](O)(c2ccccc2)N1 103401241 GLDVABPFDZZKSU-VBQJREDUSA-N 416.758 3.426 0 40 HGAB CCOc1ccc(CNC(=O)[C@H](CC)N(c2ccccc2F)S(C)(=O)=O)cc1 113967357 ZLENWUBEUKTJLG-SFHVURJKSA-N 408.495 3.085 0 40 HGAB CCc1ccc(N([C@H](C)C(=O)Nc2cccc(C(=O)OC)c2C)S(C)(=O)=O)cc1 220275893 TUHHOMMQLZZYDV-OAHLLOKOSA-N 418.515 3.137 0 40 HGAB CC[C@@H](C(=O)N1CCc2ccccc21)N(c1cc(Cl)ccc1OC)S(C)(=O)=O 222496235 JNGOVMAIBKXXSV-INIZCTEOSA-N 422.934 3.483 0 40 HGAB CCc1ccccc1N(CC(=O)n1cc(C(=O)OC)c2ccccc21)S(C)(=O)=O 222580979 UGQJTBIIPAPVNW-UHFFFAOYSA-N 414.483 3.097 0 40 HGAB O=C(Nc1nnc(S(=O)(=O)NC2CCCC2)s1)c1ccc(Cl)cc1Cl 222822232 NCAJGQTXBJJTRA-UHFFFAOYSA-N 421.331 3.318 0 40 HGAB C[C@H](C(=O)NC[C@@H]1CCCO1)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1 222921271 ZFIOEKIDEGUPML-GCJKJVERSA-N 412.505 3.471 0 40 HGAB CCOc1ccccc1N(CC(=O)N[C@@H](C)c1ccc(CC)cc1)S(C)(=O)=O 223173155 GFBLYHUEKXPCMN-INIZCTEOSA-N 404.532 3.291 0 40 HGAB CCc1ccc([C@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1 223238301 HRSBEDJOOOXUON-KRWDZBQOSA-N 416.543 3.069 0 40 HGAB OCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1nc2ccccc2s1 223566767 ZAJLAHDIDYDFRP-MOPGFXCFSA-N 421.551 3.447 0 40 HGAB CCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CCc1ccc2c(c1)OCCO2 223589416 QTFDFMSFYHWVTR-SFHVURJKSA-N 410.514 3.252 0 40 HGAB Cc1ccccc1OCCNC(=O)CN(c1cccc2ccccc12)S(C)(=O)=O 223699248 OKHLVXRIWSEZKK-UHFFFAOYSA-N 412.511 3.109 0 40 HGAB COCCNC(=O)c1cc(NS(=O)(=O)c2ccc(Cl)cc2)ccc1Cl 224065290 MDZGRNZJIOYCBR-UHFFFAOYSA-N 403.287 3.170 0 40 HGAB Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)NCc3ccc(Cl)cc3)s2)c1 224939303 IDSXIUPWTDQFFK-UHFFFAOYSA-N 422.919 3.231 0 40 HGAB CC[C@@H](C(=O)Nc1nnc(-c2ccccc2)s1)N(c1ccccc1)S(C)(=O)=O 225885364 YCSVOCHBUSRNCU-INIZCTEOSA-N 416.528 3.388 0 40 HGAB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N1CCCC1)c1ccc(Cl)cc1 408556774 KKQCARHBSCKGRB-UHFFFAOYSA-N 422.934 3.475 0 40 HGAB CCOCCCNC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 409123106 DUMIRMZNOVWGQW-UHFFFAOYSA-N 410.923 3.078 0 40 HGAB COc1cccc(C[C@H]2CCCN2C(=O)Nc2ccc(N3CCOCC3)nc2C)c1 532722260 HDPNPOVQJODAIP-LJQANCHMSA-N 410.518 3.474 0 40 HGAB C[C@@H](CC(=O)N1CCOc2ncc(Br)cc21)NC(=O)C1CCCCC1 542571051 DQPPETIKFZWLAG-LBPRGKRZSA-N 410.312 3.045 0 40 HGAB Cc1cccc2cc([C@@H](c3nnnn3Cc3ccccc3)N3CCCC3)c(=O)[nH]c12 889366 GMHJUPYGGXVEOS-NRFANRHFSA-N 400.486 3.057 0 40 HGAB Cc1cccc2cc(CN(Cc3cccnc3)C(=S)NC[C@@H]3CCCO3)c(=O)[nH]c12 1224290 JHTQGPUSKUNTNE-FQEVSTJZSA-N 422.554 3.287 0 40 HGAB O=c1c([C@H]2NCCc3c2[nH]c2ccccc32)c(O)nc(S)n1Cc1ccc(F)cc1 1318991 ZJHUDWNYBZVQFU-LJQANCHMSA-N 422.485 3.141 0 40 HGAB biogenic Cc1cc(C)n2nc(C(=O)Nc3nnc(SCc4ccc(F)cc4)s3)nc2n1 2630646 SQXMBUJGLQLXLH-UHFFFAOYSA-N 415.479 3.276 0 40 HGAB Cc1cc(Cl)ccc1NC(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 3554001 LAOIYFFXLVCAKY-UHFFFAOYSA-N 408.907 3.230 0 40 HGAB Cc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1S(=O)(=O)N1CCOCC1 3565873 LRWQCDAPXVSNLC-UHFFFAOYSA-N 412.870 3.061 0 40 HGAB O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NCc1ccco1 4525699 YBWZSTQQOVEGJN-UHFFFAOYSA-N 418.902 3.440 0 40 HGAB CCOC(=O)c1[nH]nc(-c2cc(CC)c(O)cc2O)c1-c1nncn1-c1ccccc1 6648603 IDNMSYALMDLWDL-UHFFFAOYSA-N 419.441 3.475 0 40 HGAB Cc1cc(C)c(OCC(=O)N(Cc2ccc(C)o2)[C@H]2CCS(=O)(=O)C2)c(C)c1 6810315 LXZAMKOMEOXDJC-SFHVURJKSA-N 405.516 3.108 0 40 HGAB Cc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccc(F)c(Cl)c3)CC2=O)cc1 6929794 WAMWXBWHTPXYNP-CYBMUJFWSA-N 404.825 3.322 0 40 HGAB CCC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2)cc1 6946776 YMGDFVDKBXKBHD-IRXDYDNUSA-N 404.532 3.410 0 40 HGAB O=C(Cn1nc(-c2cccs2)c2ccccc2c1=O)Nc1ccc2c(c1)OCO2 7023792 DWDSELOADWAOIU-UHFFFAOYSA-N 405.435 3.492 0 40 HGAB Cc1cccc(OC[C@@H](O)CN2C(=O)N[C@@](C)(c3cccc4ccccc34)C2=O)c1 7201321 MIDVIKXXJHAEOZ-UUOWRZLLSA-N 404.466 3.355 0 40 HGAB COc1ccc(OC)c(C(=O)COC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)c1 7805272 NBRSCUKQEJPUMQ-UHFFFAOYSA-N 407.463 3.077 0 40 HGAB CN(CC(=O)Nc1cc(Cl)ccc1Oc1ccccc1)[C@H]1CCS(=O)(=O)C1 7986991 GVOJWNORMYZQIN-HNNXBMFYSA-N 408.907 3.190 0 40 HGAB O=C(C[C@H]1C=CCC1)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 8050740 CBUSXVJLVONEKQ-ZDUSSCGKSA-N 403.331 3.183 0 40 HGAB CC(C)c1ccc([C@@]2(C)NC(=O)N(CC(=O)NCCCc3ccccc3)C2=O)cc1 8312405 HQGGDJBHASQSLH-XMMPIXPASA-N 407.514 3.326 0 40 HGAB C[C@H]1Cc2ccccc2N1C(=O)[C@@H](C)N1C(=O)N[C@](C)(c2ccc3c(c2)CCC3)C1=O 8428846 KXLDGFJIPBETNP-JAUXOLPYSA-N 417.509 3.309 0 40 HGAB Cc1ccc(C(=O)O)cc1NC(=O)c1ccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1 8470438 IHHAIUWFBBXXFH-QZTJIDSGSA-N 404.422 3.401 0 40 HGAB O=C(NCc1ccccc1Cl)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 8587437 BUZWHDXQEIDONN-UHFFFAOYSA-N 406.935 3.198 0 40 HGAB Cn1c(=O)c2c(nc3n(-c4ccc(Cl)cc4)c(-c4cccs4)cn23)n(C)c1=O 8642853 XMOSKMWRQVZHJK-UHFFFAOYSA-N 411.874 3.058 0 40 HGAB Cc1cc(C(=O)CN2C(=O)N[C@@](C)(c3ccco3)C2=O)c(C)n1Cc1cccs1 9218823 RBBVYUUYXULXEO-NRFANRHFSA-N 411.483 3.458 0 40 HGAB O=c1c2ccccc2[nH]c(=S)n1Cc1ccccc1S(=O)(=O)N1CCCCC1 10352650 QVSCMPNBOXSRMX-UHFFFAOYSA-N 415.540 3.282 0 40 HGAB C[C@H]1CN(C(=O)c2ccc(Cl)c(NS(=O)(=O)c3ccc(F)cc3)c2)CCO1 11502593 GKVNGEXNSBVREU-LBPRGKRZSA-N 412.870 3.141 0 40 HGAB COCCCNC(=O)c1nn(-c2ccc(F)cc2)cc1OCc1ccc(F)cc1 11694449 CDJQLEOABGZCBH-UHFFFAOYSA-N 401.413 3.496 0 40 HGAB Cc1cc(NC(=O)[C@@H](C)SCC(=O)Nc2ccc(N3CCCC3=O)c(C)c2)no1 11745379 QARCVRRWQLJVMH-CQSZACIVSA-N 416.503 3.117 0 40 HGAB Cc1cc(NC(=O)c2ccc(CN3C(=O)CCC3=O)cc2)ccc1N1CCCC1=O 11746661 VMFNPAHPBQVANB-UHFFFAOYSA-N 405.454 3.023 0 40 HGAB Cc1ccc(O[C@@H](C)C(=O)N2CCC(c3noc(-c4cnc(C)cn4)n3)CC2)cc1 12187565 DDEJOZQKTHCJFZ-INIZCTEOSA-N 407.474 3.317 0 40 HGAB COc1cc(C(=O)NCc2ccc3c(c2)OCO3)c(Br)c(OC)c1OC 12418089 BTLGECQNWBWUCT-UHFFFAOYSA-N 424.247 3.134 0 40 HGAB biogenic,in-vitro Cc1cc(C)c2c(=O)nc(SCc3cc(=O)n4ccccc4n3)n(C3CC3)c2n1 12446476 QWIOYCSLNAMPFD-UHFFFAOYSA-N 405.483 3.043 0 40 HGAB CCCNc1nnc(S[C@H](C)C(=O)c2ccc(NS(C)(=O)=O)cc2)s1 12548576 DTTSMVYKTSNCDA-SNVBAGLBSA-N 400.551 3.095 0 40 HGAB COCCNc1nnc(SCc2nc3scc(-c4ccco4)c3c(=O)[nH]2)s1 12614114 BMMHPAGWKWOYKG-UHFFFAOYSA-N 421.529 3.447 0 40 HGAB COc1cccc(-n2c(S[C@H]3CCOC3=O)nc3sc4c(c3c2=O)CCC4)c1 12788136 ZFPYWMRVVYHPRN-HNNXBMFYSA-N 414.508 3.352 0 40 HGAB O=C(CN1CCN(C(=O)c2ccc3ccccc3c2O)CC1)Nc1cccc(F)c1 12938815 NLOCZLWRGCZJTQ-UHFFFAOYSA-N 407.445 3.081 0 40 HGAB CC[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccn(C)c2)CC1)c1ccc(C)cc1 12997998 FEQOOVCERIEBAR-HXUWFJFHSA-N 403.548 3.002 0 40 HGAB CCC(=O)NCCc1nc2cc(NC(=O)COc3ccc(Cl)cc3)ccc2n1C 13483472 AVFSPOIQFIMKQX-UHFFFAOYSA-N 414.893 3.313 0 40 HGAB CN(C)c1oc(-c2ccccc2F)nc1S(=O)(=O)c1ccc2c(c1)OCCO2 13691380 OQQQNUBYXIIQOO-UHFFFAOYSA-N 404.419 3.151 0 40 HGAB Cc1cc(Br)ccc1NC(=O)CN(C)[C@H](C)C(=O)NCc1cccs1 14922358 JZTNARWIBQFLRL-CYBMUJFWSA-N 424.364 3.394 0 40 HGAB COC(=O)c1ccc(NC(=O)CSc2nccn2Cc2ccccc2OC)cc1 15825646 OIVLSSUFHVWFTJ-UHFFFAOYSA-N 411.483 3.457 0 40 HGAB COc1cc(=O)n(-c2ccccc2)nc1C(=O)Nc1ccc(Br)cc1 15881263 OFUFOBMEEYCYIF-UHFFFAOYSA-N 400.232 3.256 0 40 HGAB C[C@@H](NC(=O)Nc1cccc(C(F)(F)F)c1)C(=O)N[C@H](Cc1ccccc1)C(=O)O 16322282 QYGCMQGAKLYZEY-MLGOLLRUSA-N 423.391 3.028 0 40 HGAB COc1ccc(NC(=O)CCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1OC 16960667 LRDUYNIMXSDESC-UHFFFAOYSA-N 418.515 3.060 0 40 HGAB CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCc3ccccc3)c2)cc1 17093589 SFUWEPXUSAZBJY-UHFFFAOYSA-N 423.494 3.376 0 40 HGAB NC(=O)[C@@]1(Cc2ccc(-c3ccccc3F)cc2)CCCN(C(=O)[C@@H]2CCCO2)C1 19368359 IGNIRTPOCZWKLS-XUZZJYLKSA-N 410.489 3.308 0 40 HGAB CCCC(=O)N1CCC[C@@H](c2nc(O)c3c(n2)CCN(Cc2cccs2)C3)C1 19501318 BURUEWBWZCTNMV-OAHLLOKOSA-N 400.548 3.308 0 40 HGAB CN(C)C(=O)[C@@]1(Cc2cccc(-c3cccnc3)c2)CCN(CC2=CCCOC2)C1 19580270 CGQWOMVSPJXHCR-RUZDIDTESA-N 405.542 3.418 0 40 HGAB COc1ccc(S(=O)(=O)CCC(=O)N[C@H]2CC(C)(C)Oc3ccccc32)cc1 19661705 OXRUZBOHVINRNS-SFHVURJKSA-N 403.500 3.278 0 40 HGAB COCCN1CCC[C@@H]1c1nc(C)c2c(n1)N(Cc1ccccc1OC)C(=O)CC2 19695758 PSLOJNKKWKVPOQ-LJQANCHMSA-N 410.518 3.056 0 40 HGAB Cc1nc([C@H]2CCN(C(=O)c3cnn(C)c3)C2)ncc1C(=O)Nc1ccc(Cl)cc1 19753174 MGTIRTWSMDPRKT-AWEZNQCLSA-N 424.892 3.054 0 40 HGAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cc(F)ccc2F)cc1Cl 20016265 RVBNWZLUHJHIKH-JTQLQIEISA-N 418.849 3.322 0 40 HGAB O=C(c1cc(-c2ccc(Cl)cc2)[nH]n1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 21216500 XAGITWPCPVKHPM-UHFFFAOYSA-N 424.888 3.417 0 40 HGAB Cc1cccc(N(CC(=O)N[C@@H]2CC(C)(C)Oc3cc(C)ccc32)S(C)(=O)=O)c1 22327557 FDKOSXLWDRLPIU-LJQANCHMSA-N 416.543 3.488 0 40 HGAB CCCOc1ccc(N(CC(=O)NCc2ccc(Cl)cc2)S(C)(=O)=O)cc1 22385177 ZKBCRNSMYSBETK-UHFFFAOYSA-N 410.923 3.211 0 40 HGAB CC(=O)Nc1cccc(-n2cnnc2SCc2nc3c(C)cccc3c(=O)[nH]2)c1 23076594 YJJOQKNAQSQOTN-UHFFFAOYSA-N 406.471 3.063 0 40 HGAB COc1ccc(S(=O)(=O)Cc2nc(-c3ccccc3Br)no2)cc1 23126285 ZYPOKSBFYUVODR-UHFFFAOYSA-N 409.261 3.482 0 40 HGAB Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)N[C@@H]1CCOc2ccccc21 23646672 JUIUVYNGBSKBMO-GOSISDBHSA-N 402.516 3.325 0 40 HGAB CCc1c(C(=O)N(C)Cc2ccc(OC(F)F)cc2)cnn1-c1ccc(OC)nn1 24563810 VYDOELFQEYNDAX-UHFFFAOYSA-N 417.416 3.107 0 40 HGAB CC(=O)c1ccc(N2CCN([C@H](C)C(=O)NCCc3ccc(F)cc3)CC2)c(F)c1 24836419 JYKNAGWGPMRIIW-MRXNPFEDSA-N 415.484 3.037 0 40 HGAB CS(=O)(=O)Nc1ccccc1C(=O)Nc1ncc(Cc2ccc(F)cc2)s1 24924893 IOALXEYPHRUYMF-UHFFFAOYSA-N 405.476 3.497 0 40 HGAB Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)c12 26330579 XXMBGLAFIPVDQI-UHFFFAOYSA-N 404.455 3.427 0 40 HGAB CCCOc1ccc(/C=c2/sc3nc([C@@H]4COc5ccccc5O4)nn3c2=O)cc1 26532188 SFQZSZNBLFCVKA-LPGQDOADSA-N 421.478 3.000 0 40 HGAB CC(C)OCCCNS(=O)(=O)c1ccc2c(c1)C[C@H](C)N2C(=O)c1ccccc1 28207089 TZCBSQCWYCCDIF-KRWDZBQOSA-N 416.543 3.371 0 40 HGAB CS(=O)(=O)N[C@@H]1CCCN(C(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)C1 29190934 NZPPNIQNYCRGRF-CQSZACIVSA-N 416.421 3.119 0 40 HGAB Cc1ccccc1C(=O)N1CCC(C(=O)N2CCN(C)C[C@@H]2c2ccccc2)CC1 30029474 VRDVPNZMNPXSPW-HSZRJFAPSA-N 405.542 3.363 0 40 HGAB O=c1n(CCSc2nnc(-c3cccc(Br)c3)o2)nc2ccccn12 32815466 LPHJMNRXGPBGPQ-UHFFFAOYSA-N 418.276 3.101 0 40 HGAB Cc1ccc(Nc2ccc(NC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)cc2)nn1 38670548 TZUBTKIUWNCDEW-UHFFFAOYSA-N 411.487 3.031 0 40 HGAB COc1cccc(/C=c2/sc3nc(/C=C/c4ccc(C)cc4)nn3c2=O)c1OC 39835422 CFNZARHXASTLTQ-RZMWGWOTSA-N 405.479 3.195 0 40 HGAB Cc1nc(NC(=O)Cc2csc(-c3ccco3)n2)sc1-c1nnc(S)n1C 40059523 HZLIEUNXLPZLJJ-UHFFFAOYSA-N 418.529 3.433 0 40 HGAB Cc1ccccc1-c1noc(-c2cccn(CC(=O)NCc3ccccc3)c2=O)n1 49002599 UESSHSNIVRUQMO-UHFFFAOYSA-N 400.438 3.190 0 40 HGAB CSc1ccc(-c2noc(Cn3ncn4nc(-c5cccs5)cc4c3=O)n2)cc1 49004372 LCWNTTGTTDZPCU-UHFFFAOYSA-N 422.495 3.440 0 40 HGAB CC(C)[C@H](c1nnnn1C[C@H]1CCCO1)N1CCN(c2cccc(Cl)c2)CC1 57670361 PKSCXRDJJQPXCK-RTBURBONSA-N 404.946 3.025 0 40 HGAB O=C(c1cccc(I)c1)N1CCN(CCc2ccccc2)CC1 57766469 UVNMUVASNQMJSI-UHFFFAOYSA-N 420.294 3.292 0 40 HGAB COC(=O)c1cc(S(=O)(=O)N[C@@H]2CCc3ccccc32)ccc1Br 58392695 WIXFCJULMYZOBD-MRXNPFEDSA-N 410.289 3.202 0 40 HGAB CCC(CC)[C@H](CNC(=O)COc1ccc(C(F)(F)F)cc1)N1CCOCC1 59010033 URWUUCLCQBKMSF-SFHVURJKSA-N 402.457 3.337 0 40 HGAB C[C@]1(c2cccc(C(N)=O)c2)NC(=O)N(Cc2csc(-c3ccc(F)cc3)n2)C1=O 69455247 WEYVEJYAXFKLJZ-OAQYLSRUSA-N 424.457 3.015 0 40 HGAB CCOC(=O)c1csc(NC(=O)[C@H]2CC(=O)N(c3ccc(F)c(Cl)c3)C2)n1 71281945 YKJPIACFNTYXLF-VIFPVBQESA-N 411.842 3.104 0 40 HGAB Cc1ccc(NC(=O)CN2N=C(c3nc(-c4ccccc4)no3)CCC2=O)c(F)c1 71328321 MGCXJHPJXPPWNX-UHFFFAOYSA-N 407.405 3.149 0 40 HGAB CC1CCN(S(=O)(=O)N2CCC3(CC2)C[C@@H]3c2nnc(-c3ccccc3)o2)CC1 71889719 PNOBNLBZGHHOEB-GOSISDBHSA-N 416.547 3.283 0 40 HGAB Cc1nn(C(C)C)c(C)c1NC(=O)[C@H]1OCC(=O)N(C)[C@H]1c1ccc(Cl)cc1 72241272 YVRJJBNOGUVVOZ-OALUTQOASA-N 404.898 3.271 0 40 HGAB Cc1ccc([C@H](C)C(=O)N2CCC3(CC2)C[C@]2(CO3)NC(=O)c3ccccc3N2)cc1 72325257 XCRSDXIHWQAWLH-AVRWGWEMSA-N 419.525 3.432 0 40 HGAB O=C(COc1coc(CN2CCCCCC2)cc1=O)NCc1ccc(Cl)cc1 72406412 AYWUYABGJQTVNP-UHFFFAOYSA-N 404.894 3.364 0 40 HGAB Cn1nc(-c2ccc(F)cc2)cc1C(=O)NC[C@](O)(c1ccccc1)C(F)(F)F 77200855 BSBLFNVKRWFGGJ-IBGZPJMESA-N 407.367 3.406 0 40 HGAB Cc1cccc(C(C)C)c1NS(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 89688855 NXTCDGUJLSVHSV-UHFFFAOYSA-N 408.545 3.360 0 40 HGAB COC(=O)c1nnn2c1CN(C(=O)OC(C)(C)C)[C@H](CSCc1ccccc1)C2 91690010 KNFLUSLOZAJXSG-HNNXBMFYSA-N 418.519 3.117 0 40 HGAB O=C(CCC(=O)N1CCN(C(=O)c2c[nH]c3ccccc23)CC1)Nc1ccccc1F 94993005 TZMBLMYIGOSJEN-UHFFFAOYSA-N 422.460 3.010 0 40 HGAB CC(C)C(=O)Nc1cccc(NC(=O)N2CCN(C3C[C@@H]4CC[C@H](C3)N4C)CC2)c1 95975224 LDNKKWUOHKUKQX-WCRBZPEASA-N 413.566 3.056 0 40 HGAB Cc1[nH]c(-c2cccc(C(F)(F)F)c2)nc1C(=O)N1CCSC[C@@H]1CC(=O)O 95989445 GEYWUCAXHNODJI-ZDUSSCGKSA-N 413.421 3.436 0 40 HGAB Cc1ccc(Cn2cc(NC(=O)c3cc(C(C)C)nc(N4CCOCC4)n3)cn2)cc1 96100951 PCCQVVFRQMBPOU-UHFFFAOYSA-N 420.517 3.242 0 40 HGAB CCOc1cc(/C=C2/N=C(c3ccccc3)OC2=O)ccc1O[C@@H](C)C(=O)N(C)C 96634894 YFGUBVKNFYNXKT-VUODPORTSA-N 408.454 3.285 0 40 HGAB Cc1ccc(C(=O)NCCc2nnc3n2CCCC3)cc1NC(=O)c1ccccc1F 97109003 WOCSXVYMJCXHFI-UHFFFAOYSA-N 421.476 3.287 0 40 HGAB COc1ccc(-c2cc(N3CCN(C(=O)c4cc(OC)cc(OC)c4)CC3)[nH]n2)cc1 98212515 MLFDVYMWOIHCBL-UHFFFAOYSA-N 422.485 3.065 0 40 HGAB COC(=O)Cn1/c(=N/C(=O)c2coc3ccccc3c2=O)sc2c(C)cc(C)cc21 100910664 PSCKNLHCMDECFE-FCQUAONHSA-N 422.462 3.340 0 40 HGAB COc1cc2ncn(CCCC(=O)N[C@@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)c(=O)c2cc1OC 105634070 XTFPCMDVSGJDLF-QAETUUGQSA-N 413.518 3.135 0 40 HGAB CSc1ccccc1NC(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O 113943708 YTLOSQZRZWFXJU-UHFFFAOYSA-N 422.528 3.322 0 40 HGAB COC(=O)C(NC(=O)OCc1ccccc1)=C1CCN(C(=O)OC(C)(C)C)CC1 114814496 DLVDNMYKNPGCHJ-UHFFFAOYSA-N 404.463 3.371 0 40 HGAB COc1ccccc1CCCNS(=O)(=O)c1ccc(N2CCCC2=O)c(C)c1 216397162 UUIDURIEOUYRPD-UHFFFAOYSA-N 402.516 3.042 0 40 HGAB O=C(O)c1cc(S(=O)(=O)N2CCS[C@@H](c3cccs3)CC2)ccc1F 219557000 VMYUDMOHOZDYPA-OAHLLOKOSA-N 401.506 3.454 0 40 HGAB Cc1ccc(SCCNC(=O)[C@H](C)N(c2ccccc2F)S(C)(=O)=O)cc1 220297573 IORYBRMHPKIJTC-HNNXBMFYSA-N 410.536 3.197 0 40 HGAB CC[C@@H](C(=O)NCCc1ccccc1)N(c1ccc(F)c(Cl)c1)S(C)(=O)=O 222497855 KUFOMGHJULPSFH-SFHVURJKSA-N 412.914 3.383 0 40 HGAB COc1ccc(-c2noc(CNC(=O)[C@H]3CCCN(Cc4ccc(F)cc4)C3)n2)cc1 222600037 SQFSTPULXBZMAZ-SFHVURJKSA-N 424.476 3.413 0 40 HGAB CCc1ccc([C@@H](C)NC(=O)[C@@H]2CCN(S(C)(=O)=O)c3ccccc3O2)cc1 223632984 MYKAKDSVOMKFIS-QRWLVFNGSA-N 402.516 3.044 0 40 HGAB COC(=O)c1cccc(N(C)S(=O)(=O)c2ccc(OC)c(Br)c2)c1 224886677 GBMQCTLKGRKUPR-UHFFFAOYSA-N 414.277 3.069 0 40 HGAB CCOc1cc(CNS(=O)(=O)c2ccc(SC)c(NC(C)=O)c2)ccc1OC 225220880 IUYZNQOZCFJGGL-UHFFFAOYSA-N 424.544 3.253 0 40 HGAB COc1ccc(CNC(=S)Nc2nc(OC)cc(N3CCCCCC3)n2)cc1 225930088 UXXGOHNNJCWVHH-UHFFFAOYSA-N 401.536 3.361 0 40 HGAB O=C1CN(C2CCN(C(=O)C3(c4ccc(F)cc4)CC3)CC2)C(=O)N1c1ccccc1 244909787 AVLCKCFHVGZCEU-UHFFFAOYSA-N 421.472 3.317 0 40 HGAB O=C(CCS(=O)(=O)c1ccccc1)N1CCC(Oc2cccc3cccnc23)CC1 245015318 LVUIUYVCJQNSMP-UHFFFAOYSA-N 424.522 3.469 0 40 HGAB O=C(CCOc1cccc(F)c1)N1CCC(c2cncc(Nc3ncccn3)n2)CC1 257219570 DHGSMYNZEOQJAF-UHFFFAOYSA-N 422.464 3.324 0 40 HGAB CC(=O)N1CCC(Cc2ccccc2)(C(=O)N2CCC(c3cnccn3)CC2)CC1 257308239 TVYQIITUNISGBB-UHFFFAOYSA-N 406.530 3.054 0 40 HGAB Cc1ccc(S(=O)(=O)N2CC3(C2)OCC[C@H]3CCOCc2csc(C)n2)cc1 306127418 FYHIBBWRHNQYSL-QGZVFWFLSA-N 422.572 3.146 0 40 HGAB Cc1ccc([C@H](CCC(=O)O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 408613593 YPHDGSYZYAWKJJ-NRFANRHFSA-N 416.543 3.216 0 40 HGAB CCc1ccc(N(CC(=O)Nc2ccccc2Br)S(C)(=O)=O)cc1 409025480 RRKRJUVDXPLFTH-UHFFFAOYSA-N 411.321 3.416 0 40 HGAB O=C(N[C@H]1C(=O)N/[N+](=C\c2ccccc2Cl)[C@@H]1c1ccccc1)c1ccc(F)cc1 409059905 YKNAWCUOBNXHSF-MAEDJNRBSA-O 422.867 3.495 0 40 HGAB Cc1ccc([C@H]2[C@@H](NC(=O)c3ccc(F)cc3)C(=O)N/[N+]2=C\c2ccccc2C)cc1 409061577 FXJSUONEGDLKHO-WSBKAMHLSA-O 416.476 3.459 0 40 HGAB CC1(C)CC[C@@H]2C[C@H](NC(=O)NC3CCC4(CC3)NC(=O)NC4=O)c3cccc1c32 501568944 RYZJYQFRHQURFI-FOCCTPDWSA-N 410.518 3.106 0 40 HGAB Cc1cc(C)nc(-n2nc(C)c(CC(=O)NCc3cnc4ccccc4c3)c2C)n1 508955033 ZIDKKRVGNXKHRX-UHFFFAOYSA-N 400.486 3.303 0 40 HGAB COC(=O)C[C@@H](c1ccco1)c1oc(CN2CCc3ccccc3C2)cc(=O)c1O 524731863 MVEBLBOJZXTKFF-SFHVURJKSA-N 409.438 3.192 0 40 HGAB biogenic CN(C)S(=O)(=O)c1cc(-c2nc(-c3ccccc3OC(F)(F)F)no2)co1 545026435 RFHMJFAHKIUVGT-UHFFFAOYSA-N 403.338 3.146 0 40 HGAB Cc1cc(CN2CCC3(CC2)[C@@H](C(=O)N(C)C)c2ccccc2C(=O)N3C(C)C)no1 1549168315 UVGCFSWOUVDLQG-OAQYLSRUSA-N 424.545 3.054 0 40 HGAB CC(C)(C)c1ccc(N2C[C@H]3CN(C(=O)c4cc(-c5cccnc5)on4)C[C@H]3C2)nn1 1888897206 PWUVNPVUHWXLGA-CALCHBBNSA-N 418.501 3.033 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(C)c(C)c3)CC2)cc1 784025 ZTKDWGBSXIRPSM-UHFFFAOYSA-N 402.516 3.351 0 40 HGAB COc1ccc(NC(=O)COC(=O)COc2cccc(C(F)(F)F)c2)cc1OC 2660136 GTLDIDMAVBEWNO-UHFFFAOYSA-N 413.348 3.283 0 40 HGAB COc1ccccc1N(C)S(=O)(=O)c1ccc(C)c(C(=O)NCc2ccco2)c1 3225634 ZIMUOGOIZCXXCD-UHFFFAOYSA-N 414.483 3.352 0 40 HGAB O=C(Nc1ccc2cn[nH]c2c1)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O 3234409 LMZSSDIIIVDDSF-UHFFFAOYSA-N 403.419 3.192 0 40 HGAB COCc1c(C(=O)OCC(=O)N2c3ccccc3NC(=O)C2(C)C)oc2ccccc12 3450509 SXCYZDOFYBPQGS-UHFFFAOYSA-N 422.437 3.500 0 40 HGAB CCOC(=O)[C@](NC(=O)c1ccc(OC)cc1)(Nc1ccc(O)cc1)C(F)(F)F 4047840 SLCOAEIZJYZGIH-GOSISDBHSA-N 412.364 3.064 0 40 HGAB C[C@@H]1Cc2nc(SCC(=O)N3CCCCC3)n(Cc3ccccc3)c(=O)c2S1 4108103 XQESKDUOTONEAS-OAHLLOKOSA-N 415.584 3.433 0 40 HGAB COc1cc(C(=O)Nc2nc3cc4c(cc3s2)OCCO4)cc(OC)c1OC 4325772 GPHISUGZOXHMQF-UHFFFAOYSA-N 402.428 3.346 0 40 HGAB CC(=O)c1ccc(NC(=O)CSc2nnc3ccc(-c4ccncc4)nn23)cc1 4377035 LLGVZRXMLGPWEI-UHFFFAOYSA-N 404.455 3.120 0 40 HGAB COc1ccc(-n2c(=O)c3c(C)c(C)sc3n(Cc3cccnc3)c2=O)c(OC)c1 4789444 CSQUJRGXWZESEU-UHFFFAOYSA-N 423.494 3.291 0 40 HGAB Cc1nnc(S[C@@H](C)C(=O)NCc2ccc3c(c2)OCO3)n1Cc1ccccc1 4985060 ATDBORYQOTTWLK-AWEZNQCLSA-N 410.499 3.161 0 40 HGAB O=C(CN1C(=O)NC2(CCCC2)C1=O)N(CCc1ccccc1)Cc1ccccc1 5293315 XGQINZXNGIMWMQ-UHFFFAOYSA-N 405.498 3.123 0 40 HGAB O=C(Nc1cc(Cl)ccc1Cl)c1cccc(S(=O)(=O)N2CCOCC2)c1 5559875 MPPZZXGWQQIMSV-UHFFFAOYSA-N 415.298 3.267 0 40 HGAB CCCCOc1ccc(C(=O)Nc2cc(C)nn2-c2nc3c(c(=O)[nH]2)CCC3)cc1 7422649 GQVAPJXYYNEHPN-UHFFFAOYSA-N 407.474 3.184 0 40 HGAB Cc1cc(C)cc(C(=O)O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)c1 7973467 SMUSHGFCNNRUTM-MRXNPFEDSA-N 418.515 3.174 0 40 HGAB COc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(C(=O)O)cc3)C2=O)cc1 8117643 POEXSMVIGRXWJU-YBEGLDIGSA-N 412.423 3.068 0 40 HGAB C[C@@]1(c2ccc3c(c2)OCCCO3)NC(=O)N(CCOc2ccccc2Cl)C1=O 8193526 ZQNJQZYLFCZJTP-NRFANRHFSA-N 416.861 3.347 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC[C@H]4CCCC[C@H]4C3)CC2)cc1 9482204 IYLMKUVHAOZETR-MJGOQNOKSA-N 420.575 3.135 0 40 HGAB C[C@@H](Oc1ccc2c(c1)[nH]c1ccccc12)C(=O)Nc1ccc(S(N)(=O)=O)cc1 9545032 QNGDONSWVJEIJA-CYBMUJFWSA-N 409.467 3.375 0 40 HGAB COc1ccc(S(=O)(=O)Nc2nc(CC(=O)NCC3CCCCC3)cs2)cc1 9828673 WLHSTAWQBMGGEJ-UHFFFAOYSA-N 423.560 3.192 0 40 HGAB COc1ccc([C@@H]2CCCN2C(=O)c2cccc(N3CCCS3(=O)=O)c2)cc1 9962025 SHRBGPOILLDSOL-FQEVSTJZSA-N 400.500 3.212 0 40 HGAB O=C(CCn1cnc2sccc2c1=O)Nc1ccccc1C(=O)NC1CCCC1 10136734 JXHOBUCGMHNAFF-UHFFFAOYSA-N 410.499 3.159 0 40 HGAB COc1cc([C@H]2[C@@H](C(=O)Nc3ccc(Cl)cc3)[C@@H](C)Nc3ncnn32)ccc1O 11694871 AXBUNIMTJDZABI-VQTKTOELSA-N 413.865 3.304 0 40 HGAB COc1ccc(C2(C(=O)N3CCC[C@H]3Cn3nc4c(cc3=O)CCCCC4)CC2)cc1 12084892 UJCKRKBJWNRIKM-FQEVSTJZSA-N 421.541 3.244 0 40 HGAB C[C@H](NC(=O)[C@@H](C)N1CC[C@@]2(CCC1=O)CC(=O)c1ccccc1O2)c1ccccn1 12086370 NBVMTLWGBWFSHP-SRGWNRLKSA-N 421.497 3.064 0 40 HGAB Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccc(S(=O)(=O)NC3CC3)cc2)c1C 12605131 RBHQXCIRMBTOKX-UHFFFAOYSA-N 408.545 3.162 0 40 HGAB CS(=O)(=O)N1CCCc2cc(C(=O)COc3c(F)c(F)cc(F)c3F)ccc21 12920123 NBBIMBFDTLBGCF-UHFFFAOYSA-N 417.380 3.217 0 40 HGAB CSCC[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CCCCCCC1 12974417 YMMUTCRSARGFJR-MRXNPFEDSA-N 402.557 3.018 0 40 HGAB COc1ccc(F)cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(C)cc2C)C1 13580605 DXAKLMCMUTYQLX-MRXNPFEDSA-N 420.506 3.491 0 40 HGAB C[C@@H]1Cc2ccccc2N1C(=O)CN(c1ccccc1Br)S(C)(=O)=O 13645994 OIEVRSAIZUJPKG-CYBMUJFWSA-N 423.332 3.193 0 40 HGAB COc1ccc(OC[C@H](C)NS(=O)(=O)c2ccc(Br)s2)cc1 13670524 HVVYJUJUHNCZNP-JTQLQIEISA-N 406.323 3.265 0 40 HGAB CC1(C)Cc2nc3ncn(Cc4ccc(Br)cc4)c(=O)c3cc2CO1 13692550 PSKPJNRSOTULTA-UHFFFAOYSA-N 400.276 3.454 0 40 HGAB C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)Nc3ccc(Cl)cc3)c2)C[C@@H](C)O1 14429366 ROKJBFOOKGOGCU-ZIAGYGMSSA-N 408.907 3.390 0 40 HGAB COc1c(F)c(F)c(C(=O)NC(=S)Nc2cc(C(=O)O)ccc2C)c(F)c1F 17090525 ACCFEMZUWFNKDX-UHFFFAOYSA-N 416.352 3.385 0 40 HGAB C[C@H]1C=CC[C@H]2C(=O)N(c3ccc(C(=O)OCC(=O)c4ccccc4)cc3)C(=O)[C@H]12 17976308 VWSMYSSTIUFCTD-NYSBEXSLSA-N 403.434 3.428 0 40 HGAB COc1ccc(Cc2cnc(NC(=O)Cc3ccc(-n4nnnc4C)cc3)s2)cc1 19288462 FBNOVBREDKZJIP-UHFFFAOYSA-N 420.498 3.208 0 40 HGAB COc1cccc([C@]2(O)CCC[C@H]3CN(C(=O)c4ccc(-n5cnnc5)cc4)C[C@@H]32)c1 19565023 LHIGPQKPJOLXIY-JKFKMHIGSA-N 418.497 3.036 0 40 HGAB COc1ccc(OCC2CCN(S(=O)(=O)c3cn(C(F)F)nc3C)CC2)cc1 19583352 UIMBGAVJNPGKGP-UHFFFAOYSA-N 415.462 3.075 0 40 HGAB CN(C)c1cc(CCNCc2ccc(N3CCCC3=O)cc2)nc(-c2ccccn2)n1 19584309 OWKGINYOUWMYEF-UHFFFAOYSA-N 416.529 3.064 0 40 HGAB COCCC(=O)N1CCC[C@@](Cc2ccc(-c3ccc(OC)cc3)cc2)(C(N)=O)C1 19593114 DPDINFBEKFRPLK-DEOSSOPVSA-N 410.514 3.035 0 40 HGAB COc1cccc(-c2cnc(N(C)C)nc2[C@H]2CCN(Cc3cnn(C)c3C)C2)c1 19694807 XLIOXHQELHQURR-SFHVURJKSA-N 406.534 3.250 0 40 HGAB CC(C)Nc1n[nH]c2nc([C@@H]3CCCN(CC(=O)N(C)C)C3)cc(C(F)(F)F)c12 19695772 VVMHIXSLESMFOP-GFCCVEGCSA-N 412.460 3.065 0 40 HGAB COCCC(=O)N1CCC(Cc2ccc(-c3cccnc3)cc2)(C(=O)N(C)C)CC1 19700115 USAVNXOOXIYIHK-UHFFFAOYSA-N 409.530 3.025 0 40 HGAB COc1ccc(NC(=O)c2cn(C)nc2CC2CCN(C(=O)C3CCC3)CC2)cc1 19759296 SZPNRMAPNPUUNF-UHFFFAOYSA-N 410.518 3.262 0 40 HGAB O=C(NC[C@@H](c1ccc(Cl)cc1)N1CCOCC1)c1cc2ccccc2oc1=O 19901858 DENGBDIENMQWFV-IBGZPJMESA-N 412.873 3.250 0 40 HGAB CCc1nnc(NC(=O)CSc2nnc(COc3cc(C)cc(C)c3)o2)s1 19928377 SXXJMDSTLUWFDN-UHFFFAOYSA-N 405.505 3.410 0 40 HGAB CC[C@@H]1CCCCN1CCCNC(=O)c1ccc(NS(C)(=O)=O)c(Cl)c1 20048389 OGEGGCUQFAVZSY-OAHLLOKOSA-N 401.960 3.096 0 40 HGAB CCOc1cccc(CNC(=O)[C@@H](CC)N(c2ccc(C)cc2)S(C)(=O)=O)c1 20106907 MQYKSEYTRHYUPK-HXUWFJFHSA-N 404.532 3.255 0 40 HGAB COc1ccc(S(=O)(=O)N[C@@H](C)c2cc(C)ccc2C)cc1N1CCCC1=O 20494172 HVQLGTIMTCTDIY-INIZCTEOSA-N 402.516 3.478 0 40 HGAB COc1ccc(NC(=O)C2CCN(c3ccc4nnc(C(C)C)n4n3)CC2)c(OC)c1 20745444 YNHPIEXBKYGION-UHFFFAOYSA-N 424.505 3.120 0 40 HGAB CCOc1cccc(N(CC(=O)N[C@H](C)c2ccc(C)cc2C)S(C)(=O)=O)c1 22397934 PQSUQDOWLACJTQ-QGZVFWFLSA-N 404.532 3.346 0 40 HGAB COc1ccc([C@@H](C)NC(=O)[C@H](C)N(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 22528425 RUJOFFJBHFYQEN-SJORKVTESA-N 404.532 3.344 0 40 HGAB Oc1c([C@H](c2ccc(F)cc2)N2CCOCC2)sc2nc(-c3ccco3)nn12 22852234 AXJLYNUJYQLCLG-HNNXBMFYSA-N 400.435 3.317 0 40 HGAB O=C([C@H]1CC(=O)N(c2cccc(Cl)c2)C1)N1CCC[C@@H](c2nnc3ccccn23)C1 24457758 STWDHILRIKMIMZ-CVEARBPZSA-N 423.904 3.142 0 40 HGAB CN(C)[C@@H](CNC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1)c1ccsc1 25332143 FCLXCFTWIVVZSP-SHBDEGQCSA-N 411.571 3.419 0 40 HGAB COc1cc(S(=O)(=O)N[C@H]2CCCC[C@H]2C)ccc1I 27530689 JDYUTEXKOSCGSI-MFKMUULPSA-N 409.289 3.157 0 40 HGAB COc1ccc(OCC(=O)N2CCCC[C@H]2CCS(=O)(=O)c2ccccc2)cc1 27580365 OHQLCYBHXYBKBS-SFHVURJKSA-N 417.527 3.319 0 40 HGAB CCc1ccc2oc(C(=O)NC[C@@H](c3ccccc3)N3CCOCC3)cc(=O)c2c1 28289814 CBCVDZPJIWIIAC-FQEVSTJZSA-N 406.482 3.159 0 40 HGAB C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)CSCc1cccc(Cl)c1 28314292 IYNKERHEKKVBMD-ZDUSSCGKSA-N 412.964 3.440 0 40 HGAB COc1ccc(C(=O)Nc2ccccc2C(=O)N2CCN(c3nccs3)CC2)cc1 28785628 NJPVJMHOJRDLRK-UHFFFAOYSA-N 422.510 3.366 0 40 HGAB O=C(CCc1ccccc1Cl)N1CCN(Cc2ccc3c(c2)OCCO3)CC1 29706874 MPANWZNLXCUMTK-UHFFFAOYSA-N 400.906 3.388 0 40 HGAB CCSc1ccccc1NC(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C 30752883 ZRATXNAXHLWSHA-UHFFFAOYSA-N 411.524 3.189 0 40 HGAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)CSc2ccc(OC)c(OC)c2)c1 30864487 GCLARDSCWFGTAX-UHFFFAOYSA-N 419.455 3.008 0 40 HGAB C[C@H]1CCc2nc(NC(=O)[C@H]3CCCN3S(=O)(=O)c3ccccc3)sc2C1 32795870 DVUNFCAQMZRPBK-XJKSGUPXSA-N 405.545 3.060 0 40 HGAB Cc1ccc(CCC2CCN(CC(=O)N3CCN(c4ccccn4)CC3)CC2)cc1 32858133 MCZCQLIMQJVDEN-UHFFFAOYSA-N 406.574 3.383 0 40 HGAB Cc1cccc(NC(=O)COC(=O)C2CCN(C(=O)c3cc(C)ccc3O)CC2)c1 32913732 VSXGXIQUHGXEIM-UHFFFAOYSA-N 410.470 3.043 0 40 HGAB Cc1ccc(S(=O)(=O)N[C@@H](C)CCN2CCN(c3ccccc3)CC2)c(C)c1 32916441 AEZVDLMPPGONLY-FQEVSTJZSA-N 401.576 3.183 0 40 HGAB Cc1cc(N2CCN(C(=O)c3ccc(-n4ccc(C)n4)cc3)CC2)nc(C(C)C)n1 36397258 WDPFOCILJVTNFA-UHFFFAOYSA-N 404.518 3.365 0 40 HGAB CCn1cc2c(C(F)(F)F)cc(=O)n(CCC(=O)Nc3cccnc3Cl)c2n1 36621465 VHCYAJKCDXHCGG-UHFFFAOYSA-N 413.787 3.314 0 40 HGAB CC[C@@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)NCc1ccc(C(=O)N2CCCC2)cc1 36661148 AHXLTGLICDMGCB-XMSQKQJNSA-N 421.541 3.384 0 40 HGAB Cc1ccc(NC(=O)CN(C)C(=O)COc2ncnc3sc4c(c23)CCCC4)cc1 39561641 NNFUZGWHROLMKA-UHFFFAOYSA-N 424.526 3.354 0 40 HGAB CCN1CCN(c2ccccc2NC(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 40024685 JHWMHZFSSALMGJ-GOSISDBHSA-N 416.566 3.414 0 40 HGAB Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)NC[C@H](c1ccc(F)cc1)N(C)C 40157497 ULHQWPFYUULQNQ-HXUWFJFHSA-N 408.477 3.230 0 40 HGAB COc1cccc(-c2c3c(=O)n(CCc4cccs4)ccc3nc3ncnn23)c1 40398260 ZKMBNOXJIFRGJD-UHFFFAOYSA-N 403.467 3.419 0 40 HGAB Cc1cc(NC(=O)CSCC(=O)NCC2(c3ccc(F)cc3)CCCC2)no1 48332351 RHGYZSNWQXSXSZ-UHFFFAOYSA-N 405.495 3.422 0 40 HGAB CN1c2ccc(Cl)cc2C(=O)NC12CCN(C(=O)c1cc(F)cc(F)c1)CC2 49410069 BVCHQCHKSUIJBI-UHFFFAOYSA-N 405.832 3.430 0 40 HGAB Cc1cc2nn(CC(=O)Nc3ccc(F)cc3C)c(=O)n2c(Nc2ccc(F)cc2)n1 49410649 DEGMCPBXTPCEBS-UHFFFAOYSA-N 424.411 3.168 0 40 HGAB C[C@H](CNC(=O)NC[C@@H]1CCN(c2ccc(F)cc2)C1)N1CCc2ccccc2C1 58415921 JBJMMQAHGMGAEP-MOPGFXCFSA-N 410.537 3.398 0 40 HGAB Cc1ccc(-n2nc(C)c(CC(=O)N3c4ccccc4C[C@H]3C(N)=O)c2C)cc1Cl 65474488 CLLSUXJZKINXFG-NRFANRHFSA-N 422.916 3.437 0 40 HGAB Cc1cccc(-c2nc(CN(Cc3cccs3)[C@H]3CCS(=O)(=O)C3)no2)c1 69842953 VIYPGZAIQDLCAC-INIZCTEOSA-N 403.529 3.296 0 40 HGAB CC[C@@H](C)N1C(=O)c2ccccc2[C@@H](C(=O)NCCC(=O)OC)C12CCCCC2 79474374 VYUULQKCPSFQPF-UZLBHIALSA-N 400.519 3.407 0 40 HGAB CSCC[C@@H](NC(=O)c1cccc(C)c1)C(=O)N[C@H](CCO)c1cccs1 89669032 KHYPDSYUJXGVDT-IAGOWNOFSA-N 406.573 3.148 0 40 HGAB CN1C(=O)[C@@H](NC(=O)NCc2cccc(F)c2)N=C(c2ccccc2)c2ccccc21 95929331 FMCXTMUUZKWNAK-JOCHJYFZSA-N 416.456 3.465 0 40 HGAB O=C(O)CN1C(=O)/C(=C/c2cc(Cl)c3c(c2)OCCCO3)c2ccccc2C1=O 96884123 JGFDOUHAQUDSAU-OVCLIPMQSA-N 413.813 3.109 0 40 HGAB COc1ccc(CC(=O)NC[C@H]2CC[C@H](c3nc(C)ncc3C(=O)N(C)C)CC2)cc1 100205672 XSRMXEHKDJZEDS-KDURUIRLSA-N 424.545 3.128 0 40 HGAB CCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)sc2cccc(Cl)c21 100821300 RBEIVXWSSBQDKP-ZZEZOPTASA-N 423.947 3.368 0 40 HGAB C[C@H](CCc1ccccc1)Nc1c(N2CCN(c3ccc(F)cc3)CC2)c(=O)c1=O 101703176 FABZZALBVDJZET-QGZVFWFLSA-N 407.489 3.182 0 40 HGAB CN1C(=O)N(C)C(=O)C2(Cc3cccc(F)c3N3[C@H]4CC(C)(C)C[C@](C)(C4)[C@@H]32)C1=O 102797119 DQPHCGCUOUCMGY-ORHBMQHOSA-N 413.493 3.192 0 40 HGAB COc1ccc(N(CCCC(=O)NCc2ccccc2Cl)S(C)(=O)=O)cc1 113961947 GZFCRNLIIXHOJK-UHFFFAOYSA-N 410.923 3.211 0 40 HGAB CCOC[C@@]1(N)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(Br)cc1 218221084 JWRTZKAFAOVYFU-BZSNNMDCSA-N 410.333 3.123 0 40 HGAB C[C@H](C(=O)N[C@H]1CC(C)(C)Oc2ccccc21)N(c1cccc(F)c1)S(C)(=O)=O 220486272 PREHPGWTEYYIHH-KDOFPFPSSA-N 420.506 3.399 0 40 HGAB COc1cccc(-c2noc(CN(C)C(=O)CCc3ccc4c(c3)OCCO4)n2)c1 222647477 DDDIUQOEWJKKBT-UHFFFAOYSA-N 409.442 3.108 0 40 HGAB O=S(=O)(Nc1nnc(-c2ccc(Cl)cc2)s1)c1ccc2c(c1)OCCO2 223087180 SRACVCNAFOYTSK-UHFFFAOYSA-N 409.876 3.431 0 40 HGAB CSc1ccccc1NS(=O)(=O)c1nnc(NC(=O)c2ccccc2)s1 223329183 VGWXSDUUHPYOAO-UHFFFAOYSA-N 406.514 3.313 0 40 HGAB Cc1ccc(C(=O)N2CCc3cc(S(=O)(=O)NCc4cccnc4)ccc32)cc1 223373634 YBUOJRXPKLPVLE-UHFFFAOYSA-N 407.495 3.071 0 40 HGAB CCS(=O)(=O)N1C[C@@H](C(=O)N[C@@H](C)c2cc(C)c(C)cc2C)Oc2ccccc21 223449061 SXSSBMUQPCOVIH-UWJYYQICSA-N 416.543 3.406 0 40 HGAB Cc1ccc(C)c(OCCNC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2C)c1 224008522 YEFJKYQYISUGRQ-UHFFFAOYSA-N 416.543 3.205 0 40 HGAB CC[C@@H](C(=O)NCCc1ccc(F)cc1)N(c1ccc(C)c(C)c1)S(C)(=O)=O 224312555 QADMPJNCUJCTTI-FQEVSTJZSA-N 406.523 3.346 0 40 HGAB CCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)COc1ccccc1OC 224516712 JEQMYSWLCRDYCT-LJQANCHMSA-N 414.502 3.026 0 40 HGAB COc1cccc(CNC(=O)c2ccc(CN(C)S(=O)(=O)c3ccccc3)cc2)c1 224517554 GPCJTHWSJNBFFB-UHFFFAOYSA-N 424.522 3.446 0 40 HGAB CCc1ccc(N(CC(=O)Nc2ccc(N3CCCC3)cc2)S(C)(=O)=O)cc1 224908086 HXKCTEIDUXKSSJ-UHFFFAOYSA-N 401.532 3.254 0 40 HGAB Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)NC[C@@H](C)c2ccccc2)s1 225138309 ACMBRVZQQWZDQL-CQSZACIVSA-N 416.528 3.181 0 40 HGAB COc1ccc(CCC(=O)N[C@@H](c2cccnc2)C2CCOCC2)c(OC)c1OC 225619718 WSHJIYDIKKYJAO-OAQYLSRUSA-N 414.502 3.324 0 40 HGAB CCOC(=O)C1(c2ccc(NC(=O)c3cccc(NS(=O)(=O)CC)c3)cc2)CC1 225969224 OLHWRABTCBUABA-UHFFFAOYSA-N 416.499 3.295 0 40 HGAB CCn1nc(C)c(S(=O)(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)c1F 252501728 UIPUMOAQECKYMW-UHFFFAOYSA-N 421.325 3.168 0 40 HGAB Cc1ccc(C(=O)NC[C@@H]2CCCO2)cc1S(=O)(=O)Nc1cccc(C)c1C 408546865 GYFXFOPQHCBJKJ-SFHVURJKSA-N 402.516 3.321 0 40 HGAB COc1ccc2c(c1)C(=O)[C@@H]([C@]1(O)C(=O)Nc3ccc(Br)cc31)CC2 408570218 ZWXIETYBABAFEM-IFXJQAMLSA-N 402.244 3.043 0 40 HGAB CCOc1ccc(C(=O)Nc2cccc(OC)c2)cc1S(=O)(=O)N1CCCC1 408697325 JAIFBJGQRVPNGN-UHFFFAOYSA-N 404.488 3.131 0 40 HGAB Cc1ccc(NC(=O)[C@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1Cl 408704451 NPLWZSIYQYDRPR-ZDUSSCGKSA-N 424.906 3.213 0 40 HGAB COc1cccc(OC)c1C(=O)N1CCC(C(=O)Nc2ccc(F)cc2F)CC1 409014264 IDANDEKLWSUKKL-UHFFFAOYSA-N 404.413 3.473 0 40 HGAB COc1ccccc1NC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1Cl 409391314 MWVYIERZVYAHBW-UHFFFAOYSA-N 424.906 3.151 0 40 HGAB C[C@H](C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21)N(C)Cc1cccc(O)c1 533447659 NTZNPOJSSFMFDB-GFCCVEGCSA-N 407.392 3.217 0 40 HGAB CC1(C)C(=O)Nc2cc(C(=O)NCc3cccc(NC(=O)c4ccncc4)c3)ccc21 559146970 ISBBATICOJIZFB-UHFFFAOYSA-N 414.465 3.494 0 40 HGAB CC(C)CCN1C[C@H]2C(=O)NC3(CCN(C(=O)c4ccc(Cl)c(F)c4)CC3)[C@H]2C1 585106263 ZYWANFCSTFJHQT-SJORKVTESA-N 421.944 3.178 0 40 HGAB CC[C@H](C)[C@@H](C(=O)Nc1nc(-c2ccc3c(c2)OCCCO3)cs1)n1cnnn1 604418904 TYTHDDJWPOZAFS-SJCJKPOMSA-N 414.491 3.184 0 40 HGAB O=C(CN1CCC[C@H]1C[C@@H]1C[C@H]2CC[C@H]1C2)NCC(=O)Nc1ccc(F)c(F)c1 1190741326 FGJBJDBKFFOUKL-OVWQWFNUSA-N 405.489 3.310 0 40 HGAB COc1cc(C(=O)N2CCC[C@@H](COc3cccc(C)n3)C2)cc(OC)c1OC 1775970186 FWKQFYQAEDIDNF-MRXNPFEDSA-N 400.475 3.347 0 40 HGAB CSc1nc(N2CCN(Cc3nnc(C(F)(F)F)o3)CC2)cc(C(C)(C)C)n1 1888875760 FOQWGCZWLIFABS-UHFFFAOYSA-N 416.473 3.220 0 40 HGAB O=C1COc2ccccc2CCCCO[C@H]2CN(Cc3c(F)cccc3F)C[C@@H]2N1 2037980804 JDOOENVFQBWIHA-UNMCSNQZSA-N 416.468 3.066 0 40 HGAB C[C@@H](C(=O)OCC(=O)Nc1cccc(Cl)c1Cl)N1C(=O)c2ccccc2C1=O 941662 PPUFEPVJZDPNBW-JTQLQIEISA-N 421.236 3.160 0 40 HGAB Cn1c2c(c(=O)n(C)c1=O)[C@H](c1cccc(Br)c1)Nc1ccccc1O2 1275860 JLSNGXBZSUADQK-INIZCTEOSA-N 414.259 3.154 0 40 HGAB Cc1ccc(-n2ncc(-c3nnc(SCC(=O)NC4CCCC4)o3)c2N)cc1C 1352423 QLAGVUHXLMHSTI-UHFFFAOYSA-N 412.519 3.272 0 40 HGAB NCc1ccc(S(=O)(=O)Nc2cc(Br)cc(Br)c2)cc1 1620753 ARJHFGHOLXSOOR-UHFFFAOYSA-N 420.126 3.471 0 40 HGAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C)cc3)c(=O)n2[C@@H]1c1ccccc1 2314805 ZSUUDOCVKDRNIP-LUDQZLGDSA-N 418.518 3.107 0 40 HGAB O=C1CN(C(=O)CSc2nnc(C3CC3)n2-c2ccccc2)c2ccccc2N1 2628555 YNRSOUVHBRSENB-UHFFFAOYSA-N 405.483 3.222 0 40 HGAB Cc1cc(C)n(CCCNC[C@H](O)COc2ccc(C(=O)c3ccccc3)cc2)n1 2662637 VXHJFVNXLDLQBY-QFIPXVFZSA-N 407.514 3.151 0 40 HGAB CC[C@H](c1nnc(SCC(=O)NCC(F)(F)F)n1-c1ccccc1)N(C)C 2726062 UXNVGCPERNSBJZ-CYBMUJFWSA-N 401.458 3.051 0 40 HGAB O=C(CSc1nnc(-c2ccc(F)cc2)n1-c1ccc(F)cc1)N1CCOCC1 3370271 QIQNUFRNGCPQLJ-UHFFFAOYSA-N 416.453 3.163 0 40 HGAB CCOc1ccc(-c2nnc(NC(=O)CCCN3C(=O)c4ccccc4C3=O)o2)cc1 3428250 WSMBRUUPOSYLAQ-UHFFFAOYSA-N 420.425 3.150 0 40 HGAB COC(=O)c1c(NC(=O)COC(=O)c2[nH]c(C)c(C(C)=O)c2C)sc(C)c1C 3479861 VLLLWZYDGIEUBJ-UHFFFAOYSA-N 406.460 3.095 0 40 HGAB CC(=O)Nc1ccc(-c2ccc3n(c2=O)C[C@H]2C[C@@H]3CN(C(=O)NC(C)C)C2)cc1 4237271 IUBYJPCZDQHJLD-FUHWJXTLSA-N 408.502 3.011 0 40 HGAB biogenic,in-vitro COc1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@H]2c2ccccc2OC)c(OC)c1 4383862 JSXYEGJBGOMPHV-FQEVSTJZSA-N 421.457 3.232 0 40 HGAB Cn1c(=O)[nH]c(=O)c2c1nc(SCc1ccc(Cl)cc1)n2Cc1ccccc1 4416111 OJAIHSIZRJDAKH-UHFFFAOYSA-N 412.902 3.417 0 40 HGAB COC(=O)c1ccc(NC(=O)CCCC(=O)OCC(=O)c2cccc(OC)c2)cc1 4543956 SFHRVRQROGKNQR-UHFFFAOYSA-N 413.426 3.017 0 40 HGAB COC(=O)c1ccc([C@H]2SC[C@H]3C(=O)N(c4ccc(OC)cc4)C(=S)N32)cc1 4594062 QXYOBJWULSZLHS-FUHWJXTLSA-N 414.508 3.230 0 40 HGAB COc1cc(/C=C/C(=O)OCC(=O)N2CCC(Cc3ccccc3)CC2)ccc1O 4836109 NLGGOXYNCSGTOH-CSKARUKUSA-N 409.482 3.439 0 40 HGAB CCC(C)(C)NC(=O)CN(C(=O)CCC(=O)Nc1ccccn1)C1CCCCC1 4848243 QXQSGCOIYRJHBR-UHFFFAOYSA-N 402.539 3.266 0 40 HGAB O=C(CSc1ccc2c(c1)OCCO2)NC(=O)NC12CC3CC(CC(C3)C1)C2 5018547 MRYCPDYLWQUIDC-UHFFFAOYSA-N 402.516 3.345 0 40 HGAB CC1CCN([C@@]2(O)C(=O)Nc3c(Br)cc(Br)cc32)CC1 5482699 ALSNQBPHHRTIKN-AWEZNQCLSA-N 404.102 3.041 0 40 HGAB O=C(CSc1nnc(-c2ccc3c(c2)OCO3)o1)N1CCC(c2ccccc2)=N1 6035630 XMTIYTHKBFAEAY-UHFFFAOYSA-N 408.439 3.194 0 40 HGAB CCc1cccc2c(C(=O)CSc3nnc(C[C@@H]4CCS(=O)(=O)C4)o3)c[nH]c12 7045985 XXLQNGDNMOELBC-LBPRGKRZSA-N 419.528 3.066 0 40 HGAB Cc1ccc(CN(C)C(=O)CN(C)CC(=O)Nc2ccc(Br)cc2C)o1 7680471 WLFDBHAAVXNKPL-UHFFFAOYSA-N 422.323 3.188 0 40 HGAB CCNC(=O)[C@H](C)OC(=O)c1ccccc1NS(=O)(=O)c1c(C)cc(C)cc1C 7940672 AFORKOKKJUJNDI-INIZCTEOSA-N 418.515 3.094 0 40 HGAB CCCCN1C[C@@H](C(=O)Nc2nnc(COc3ccc(Cl)cc3)s2)CC1=O 8271444 OXJDGOBUJNDLMW-LBPRGKRZSA-N 408.911 3.358 0 40 HGAB COc1ccc(S(=O)(=O)Nc2ccc3c(c2)CN(C(=O)C(C)C)CC3)c(C)c1 8977116 JVONGLIZPDRYIW-UHFFFAOYSA-N 402.516 3.345 0 40 HGAB COc1ccc(OC)c(NC(=O)Cc2c(C)c3c(OC)cc(OC)cc3oc2=O)c1 9253394 MNFBIPOVUYNJOY-UHFFFAOYSA-N 413.426 3.317 0 40 HGAB O=C(NCCCn1nc(-c2ccncc2)ccc1=O)c1ccccc1C(F)(F)F 11746467 HHZHSHDPYNPUIS-UHFFFAOYSA-N 402.376 3.144 0 40 HGAB Cc1cccnc1C1(O)CCN(C(=O)Cn2c(C(F)(F)F)nc3ccccc32)CC1 12116013 XBPWUIPGDCQEHM-UHFFFAOYSA-N 418.419 3.269 0 40 HGAB COc1cccc(CC(=O)N2CCC[C@H](Cn3nc(-c4cccs4)ccc3=O)C2)c1 12145201 CUOIKNNWGCYJHA-SFHVURJKSA-N 423.538 3.462 0 40 HGAB CN(C)c1ncc(-c2ccncc2)c(-c2ccc(CNC(=O)[C@@H]3CCCO3)cc2)n1 12222389 NZDJNTKUXRNGCH-FQEVSTJZSA-N 403.486 3.067 0 40 HGAB Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)c3c(C)[nH]c4ccccc34)CC2)c1 12802838 BJWYSEPELVIROL-UHFFFAOYSA-N 411.527 3.240 0 40 HGAB COc1cc(OC)cc(C(=O)N(C)Cc2ccc(C(=O)NCC(F)(F)F)cc2)c1 12928527 HHCVEZKKPMAOGP-UHFFFAOYSA-N 410.392 3.268 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCc3cccs3)CC2)c(C)c1 12995315 LMXKFIZOBZVXMN-UHFFFAOYSA-N 406.573 3.125 0 40 HGAB COc1ccc(NC(=S)N(CCO)Cc2cc3c(C)cc(C)cc3[nH]c2=O)cc1 13554972 XSWBWNFIBGDHBC-UHFFFAOYSA-N 411.527 3.345 0 40 HGAB CC(C)[C@H](NC(=O)NCCc1cccc(F)c1)C(=O)NCCc1cccc(F)c1 13624293 UXABHXVGUWCYEU-FQEVSTJZSA-N 403.473 3.190 0 40 HGAB CC[C@H](C(=O)N(C)Cc1ccc(OC)cc1)N(c1ccc(F)cc1)S(C)(=O)=O 13715956 XXHMNLLBQPFRRA-LJQANCHMSA-N 408.495 3.038 0 40 HGAB CC[C@H](C(=O)Nc1ccc(C(=O)OC)cc1)N(c1ccc(C)c(C)c1)S(C)(=O)=O 13716207 JFJSTMCUSIPPGW-LJQANCHMSA-N 418.515 3.273 0 40 HGAB O=C(CSc1nc(COc2ccc(Cl)cc2)n[nH]1)NC(=O)C1CCCCC1 14190714 LRUFKVVKUPPSIT-UHFFFAOYSA-N 408.911 3.352 0 40 HGAB C[C@@H](SCc1ccc(Br)cc1)C(=O)Nc1nc(CC(N)=O)cs1 14200689 AAKPBUZYHNPBGT-SECBINFHSA-N 414.350 3.194 0 40 HGAB CCOC(=O)C1=C(N)Oc2c(c(=O)[nH]c3ccccc23)[C@H]1c1cccc(OCC)c1 14608296 RNGXJQWOYQGVQB-QGZVFWFLSA-N 406.438 3.185 0 40 HGAB COc1cccc(CN(C)C(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)c1 14864037 NEQPWXUKJSEYQR-UHFFFAOYSA-N 416.543 3.450 0 40 HGAB CCOc1ccc(Br)cc1S(=O)(=O)N1CCN=C1Cc1ccccc1 16780278 GRRVUWYHPBYJSD-UHFFFAOYSA-N 423.332 3.493 0 40 HGAB Cc1ccc(Cn2nnc3c(=O)[nH]c(C4CCN(C(=O)CC(C)(C)C)CC4)nc32)cc1 18189438 UCFAPGIWKPGYAV-UHFFFAOYSA-N 422.533 3.014 0 40 HGAB COc1ccc(-c2noc([C@@H]3CN(C(=O)CCOc4ccccc4C)CCO3)n2)cc1 19237388 IMMHNLSGUVWLJA-FQEVSTJZSA-N 423.469 3.423 0 40 HGAB CCn1cncc1CN1CCC(O)(Cn2c(C(F)(F)F)cc3cccnc32)CC1 19578589 YJWDAFNCOMLECW-UHFFFAOYSA-N 407.440 3.299 0 40 HGAB O=C(Nc1ccc(N2CCCC2)c2nonc12)c1cccc(CN2CCCC2=O)c1 19660468 LBEDIJFGOOJBTE-UHFFFAOYSA-N 405.458 3.198 0 40 HGAB NC(=O)c1cccc(-c2ccc([C@H]3CN(C(=O)Cc4ccc(F)cc4)CCO3)nc2)c1 19692527 LOJWNFOXEDIPEV-JOCHJYFZSA-N 419.456 3.129 0 40 HGAB O=C1c2oc3ccccc3c(=O)c2[C@@H](c2ccccc2)N1CCCN1CCOCC1 20219645 VHFXXZCXQLECSF-OAQYLSRUSA-N 404.466 3.061 0 40 HGAB Cc1cccc(N2C(=O)/C(=C/NCCCN3CCOCC3)c3ccccc3C2=O)c1C 20533369 KPCXFUWOSAKRJA-OQKWZONESA-N 419.525 3.143 0 40 HGAB CCOc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccc(Cl)cc3)CC2=O)cc1 21094696 PLQKQJDWVREFLX-CQSZACIVSA-N 416.861 3.274 0 40 HGAB NC(=O)c1ccc(NC(=O)c2nc(-c3cccs3)n(-c3cccc(F)c3)n2)cc1 22475005 DUICHFFIDQWEFW-UHFFFAOYSA-N 407.430 3.486 0 40 HGAB O=C(COc1ccccc1)N(CCN1CCOCC1)c1nc2ccc(F)cc2s1 22998545 ZZLYNKLTDUDEMZ-UHFFFAOYSA-N 415.490 3.180 0 40 HGAB COc1cccc(N2C(=O)[C@@H]3[C@@H](N=NN3c3ccc(Br)c(C)c3)C2=O)c1 23125737 QIUYJCCOYOOSHH-CVEARBPZSA-N 415.247 3.264 0 40 HGAB CCOc1ccc([C@@H](CNC(=O)Cc2ccc(C)cc2)N2CCOCC2)cc1OC 24838416 VEGVELBFBCCBES-OAQYLSRUSA-N 412.530 3.135 0 40 HGAB CC(C)CC(=O)Nc1ccc(-c2csc(NC(=O)c3ccc(=O)n(C)n3)n2)cc1 25736741 SAMVMKNQHWXWGG-UHFFFAOYSA-N 411.487 3.141 0 40 HGAB Cc1ccccc1NC(=O)CSc1nnc(Cc2ccc(C(C)C)cc2)c(=O)n1N 27546275 USXIXZARAHHJON-UHFFFAOYSA-N 423.542 3.106 0 40 HGAB COc1ccc(NC(=O)C[C@H](C)NC[C@H](c2cccs2)N2CCOCC2)cc1 32740373 LGGVVJFQBVNWIW-QFBILLFUSA-N 403.548 3.137 0 40 HGAB CC(C)N(C(=O)C[S@](=O)Cc1cc2c(cc1Br)OCCO2)C(C)C 32765094 DGRYXIVBMZUTMW-DEOSSOPVSA-N 418.353 3.114 0 40 HGAB CC(=O)c1ccc(NC(=O)[C@H](C)N2CCCN(C(=O)c3ccc(F)cc3)CC2)cc1 32776811 SYFDEIOSHKOKBN-INIZCTEOSA-N 411.477 3.203 0 40 HGAB O=C(NCCCOC1CCCCC1)c1ccccc1S(=O)(=O)N1CCCCC1 32904311 ZBQFGXSURWFLRX-UHFFFAOYSA-N 408.564 3.330 0 40 HGAB O=C(c1ccco1)N1CCN(c2ncnc3c2ncn3Cc2ccccc2Cl)CC1 36357744 LIMMAHUWYVNVMT-UHFFFAOYSA-N 422.876 3.083 0 40 HGAB COc1cc(-c2nc(C)c(C(C)=O)n2O)ccc1OCC(=O)Nc1ccc(F)cc1 37868537 IFLJEGCCPIXXRI-UHFFFAOYSA-N 413.405 3.464 0 40 HGAB C[C@@H](c1ncnc(Cl)c1F)[C@](O)(Cn1cnc(Cl)n1)c1ccc(F)cc1F 38339125 OSKASUIBSJCIHI-ZKANADHPSA-N 418.206 3.484 0 40 HGAB COc1ccc(OC)c([C@@H](C)NC(=O)CCNC(=O)c2ccc(F)cc2Cl)c1 40131412 IDBLUBPXGHGOBG-GFCCVEGCSA-N 408.857 3.494 0 40 HGAB O=C(NCc1ccccc1)C(=Cc1cccc2c1OCO2)C(=O)NCc1ccccc1 40139588 XZICOKJYDLXRIM-UHFFFAOYSA-N 414.461 3.432 0 40 HGAB COc1ccc(S(=O)(=O)N[C@@H]2CCCc3ccccc32)cc1C(=O)NC(C)C 44904728 JCNKEOBMXVXMJP-LJQANCHMSA-N 402.516 3.189 0 40 HGAB CCOc1ccc(CCCNC(=O)c2cccc(CN3CCOCC3)c2)cc1OC 44945832 FAQMLIOLPHOYIK-UHFFFAOYSA-N 412.530 3.289 0 40 HGAB O=C(COC(=O)c1ccc(C(=O)OCC(=O)c2ccccc2)nc1)c1ccccc1 47080665 YATYEMHOUOEVJA-UHFFFAOYSA-N 403.390 3.161 0 40 HGAB Cc1cccc([C@@H](CNS(=O)(=O)c2ccc(C)c(Cl)c2)N2CCOCC2)c1 48302581 ALKMEEYGSIWBIT-HXUWFJFHSA-N 408.951 3.309 0 40 HGAB CC(=O)Nc1ccc2c(CSc3nc4sccc4c(=O)n3C)cc(=O)oc2c1 49574096 LGXOLRDJNFCYAH-UHFFFAOYSA-N 413.480 3.352 0 40 HGAB CC(=O)NC1CCN(C(=O)COc2ccc3cc(Br)ccc3c2)CC1 50415664 AVJAPKSUPOZOOW-UHFFFAOYSA-N 405.292 3.108 0 40 HGAB Cc1ccc(NC(=O)CSc2nc3[nH]ncc3c(=O)n2-c2ccccc2)cc1C 51316652 IFWBZZUUHMFYJT-UHFFFAOYSA-N 405.483 3.456 0 40 HGAB C[C@@H]1CN(Cc2ccc(C(=O)NC[C@@H]3CCN(c4ccc(F)cc4)C3)cc2)CCO1 57276025 XENKPUXFDKZHFZ-QUCCMNQESA-N 411.521 3.303 0 40 HGAB Cc1sc(=O)n(CC(=O)NCc2nc3ccccc3n2C)c1-c1ccc(F)cc1 58434376 QRNMDMTZHXJDDS-UHFFFAOYSA-N 410.474 3.227 0 40 HGAB CCN1CCc2nc(-c3ccccc3)n(CC(=O)Nc3ccc(C)c(F)c3)c(=O)c2C1 62007131 IECIWYDGKOSZRM-UHFFFAOYSA-N 420.488 3.375 0 40 HGAB COc1ccc(Cl)cc1NC(=O)CN(C)S(=O)(=O)c1ccc(SC)cc1 64572675 ZFGXZJIUTKBSPC-UHFFFAOYSA-N 414.936 3.330 0 40 HGAB CCc1ccccc1NC(=O)c1nnn(CC(=O)Nc2ccc(OC)cc2OC)c1C 71327033 PWRSCOPWWUKKLU-UHFFFAOYSA-N 423.473 3.057 0 40 HGAB CN1CC[C@]2(CCC1=O)C[C@@H](NC(=O)c1ccc3c(c1)OCO3)c1ccccc1O2 72327754 VRPJOPBZRYVUOD-UZUQRXQVSA-N 408.454 3.050 0 40 HGAB CC(=O)Nc1cccc(-c2nccnc2[C@H]2CCCN(C(=O)Cc3cccnc3)C2)c1 72358828 HVVSPGWUZVILNQ-FQEVSTJZSA-N 415.497 3.446 0 40 HGAB CCNC(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CN(C(=O)C(C)C)CCO1 72389251 JDXLOCLRHGFGKY-QFIPXVFZSA-N 400.544 3.347 0 40 HGAB Cc1csc(CN2CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)n1 78802951 JXPDYLQTTWBZCR-UHFFFAOYSA-N 406.360 3.265 0 40 HGAB COc1ccc(C(=O)N2CCCC2)cc1NC(=O)NCc1ccnc(NC2CC2)c1 96013197 IHANXVVBPOJYBN-UHFFFAOYSA-N 409.490 3.222 0 40 HGAB COc1ccc([C@H]2SCC(=O)Nc3c2c(O)nn3[C@@H]2CCOC(C)(C)C2)cc1O 96232203 CLHUUXOTLYYHHH-SJKOYZFVSA-N 419.503 3.208 0 40 HGAB O=C(COC(=O)c1ccccc1N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1ccc(F)cc1 101020497 TXPQXEINYGSLCV-LATRNWQMSA-N 419.408 3.177 0 40 HGAB O=c1[nH]c2nc(NCc3cccc(C(F)(F)F)c3)ncc2c(=O)n1C1CCCC1 101462606 KYKZOXRQBRSKSE-UHFFFAOYSA-N 405.380 3.226 0 40 HGAB COc1ccc(S(=O)(=O)N(C)c2ccc(OC)c(OC)c2)cc1Br 141045557 BWZBKDOXCGIIFG-UHFFFAOYSA-N 416.293 3.300 0 40 HGAB CC[C@H](C(=O)N[C@H](C)c1ccc(OC)c(OC)c1)N(c1ccccc1)S(C)(=O)=O 216272426 HMTNCPMWEFSMHS-CRAIPNDOSA-N 420.531 3.126 0 40 HGAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21 216466366 WOQBLIHICBRZKM-LJQANCHMSA-N 422.934 3.337 0 40 HGAB CCOC(=O)[C@@]1(CN)[C@@H](S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1ccc(CC)cc1 218565487 FCGSADDHOIRCQG-JAXLGGSGSA-N 401.528 3.005 0 40 HGAB CC[C@H](C(=O)N1CCCc2ccccc21)N(c1ccc(OC)cc1)S(C)(=O)=O 220651641 DWERKXADRYNNSY-LJQANCHMSA-N 402.516 3.219 0 40 HGAB Cc1ccc(CSCCNC(=O)c2cccc(N(C)S(C)(=O)=O)c2C)cc1 222428774 DFRZLXNFKHIAQX-UHFFFAOYSA-N 406.573 3.362 0 40 HGAB C[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCCc1ccccc1Cl 223555482 WBKVCGHMSYCAJK-OAHLLOKOSA-N 424.950 3.252 0 40 HGAB Cc1ccc(N(CCCC(=O)NCCc2ccc(F)cc2)S(C)(=O)=O)cc1C 224053955 CQMZQVNRQZUABW-UHFFFAOYSA-N 406.523 3.348 0 40 HGAB CCc1ccccc1N(CN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C1=O)C(=O)C(F)(F)F 226401250 MRYOEHRLOWYCCK-UGMMYLGUSA-N 418.415 3.155 0 40 HGAB O=C(c1cn2cccnc2n1)N1CCO[C@@H](c2cccc(-c3cccc(F)c3)n2)C1 257232091 GJJHIWYDPYHQCV-HXUWFJFHSA-N 403.417 3.144 0 40 HGAB Cn1cnc(S(=O)(=O)N2CCC[C@@H](c3ncc(Cc4ccccc4Cl)o3)C2)c1 257343721 ZUDIUOMHLLLJGE-OAHLLOKOSA-N 420.922 3.221 0 40 HGAB Cc1csc(CN2CCO[C@@]3(CCCC[C@@H]3NC(=O)c3scnc3C)C2)n1 306126768 FETFAZODBLIRHB-KXBFYZLASA-N 406.577 3.160 0 40 HGAB COc1ncccc1CN1CCN(c2nccn3c(-c4cccc(F)c4)cnc23)CC1 306138533 RZYGVNMFVUPPBL-UHFFFAOYSA-N 418.476 3.261 0 40 HGAB O=C(NC1CC1)c1c2c(n3ncc(-c4ccccc4)nc13)CN(Cc1cccnc1)CC2 306142623 XETKNERUABRJMW-UHFFFAOYSA-N 424.508 3.242 0 40 HGAB CCc1ccc(CN2C[C@H](c3cn(C(C)C)cn3)[C@]3(CCN(CCOC)C3=O)C2)cc1 306143081 XSRUACVSRXWUKU-RDGATRHJSA-N 424.589 3.491 0 40 HGAB COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H](C(=O)N2CCC(C)CC2)C1 408590753 KVCZYNHSZOEGAF-HNNXBMFYSA-N 414.955 3.008 0 40 HGAB Cc1cc(/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)c(C)n1C 409216997 QMSWGCYXNONYSD-ODLFYWEKSA-N 409.511 3.263 0 40 HGAB O=C(NCc1nnc(-c2ccccc2)s1)[C@@H](O)c1cccc(Br)c1 1622781997 WLGHRYVSLUUTOA-HNNXBMFYSA-N 404.289 3.317 0 40 HGAB Cc1nc2ccccc2n1C1CN(S(=O)(=O)c2ccccc2OC(F)(F)F)C1 1775973473 DIILHIHWMOQYRT-UHFFFAOYSA-N 411.405 3.489 0 40 HGAB CCn1cc(CN2CC[C@@H]3[C@@H](CCCCc4ccccc4OCC(=O)N3C)C2)cn1 2037988917 NJNKYTWHGFVHPG-FCHUYYIVSA-N 410.562 3.357 0 40 HGAB COC(=O)C1=C(C)N(C)C(=S)N[C@H]1c1ccccc1OC(=O)c1cccs1 956337 OXQWIGQCNVXMIQ-INIZCTEOSA-N 402.497 3.275 0 40 HGAB O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 1506114 JBBMPRZFFGKZAC-UHFFFAOYSA-N 415.298 3.267 0 40 HGAB COc1ccc(CNC(=O)[C@@H](C)Sc2nnc(-c3ccc4c(c3)OCO4)o2)cc1 2622983 OVYQAAZZTBWLAE-GFCCVEGCSA-N 413.455 3.271 0 40 HGAB Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(=O)Nc3nccs3)CC2)c1C 3532831 PKTRYDZNACFWSR-UHFFFAOYSA-N 407.561 3.416 0 40 HGAB CC(C)C[C@H](NC(=O)[C@H](C)Oc1ccc2c3c(c(=O)oc2c1)CCCC3)C(=O)O 4029920 MPLPGXPNFRRIQN-UGSOOPFHSA-N 401.459 3.055 0 40 HGAB biogenic CCOC(=O)CNc1ccccc1OCCOc1ccccc1NCC(=O)OCC 4054688 XPXCZNFGTOAMLX-UHFFFAOYSA-N 416.474 3.094 0 40 HGAB COc1cccc(NC(=O)COc2coc(CN3CCc4ccccc4C3)cc2=O)c1 4583874 XRPWCYMOZPGNQQ-UHFFFAOYSA-N 420.465 3.224 0 40 HGAB CCN(Cc1nc(-c2ccc(OC)cc2)no1)C(=O)Cc1ccc(OC)c(OC)c1 4943607 RBLTWWMNPDHULU-UHFFFAOYSA-N 411.458 3.354 0 40 HGAB COc1ccccc1OCCSc1nnc([C@@H](C)NC(=O)c2ccccc2)n1C 4998642 KMXMHRBWIXPJME-OAHLLOKOSA-N 412.515 3.486 0 40 HGAB O=C(CNc1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCCc2ccccc21 5638228 DYEKTMBJNZSUKM-UHFFFAOYSA-N 413.543 3.253 0 40 HGAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)cc1 6176054 FEQBVLOXIIZISQ-SNVBAGLBSA-N 403.287 3.308 0 40 HGAB COc1ccc(CNC(=O)CCc2ccc(S(=O)(=O)NC(C)(C)C)cc2)cc1 6321706 XQKZICIXWBPQRQ-UHFFFAOYSA-N 404.532 3.021 0 40 HGAB COc1cccc(NC(=O)c2nnn(Cc3ccc(Br)cc3F)c2N)c1 6577917 FFTDENXSAXUNNN-UHFFFAOYSA-N 420.242 3.071 0 40 HGAB CCc1cc(=O)oc2cc(C)cc(OCC(=O)NC3CC(C)(C)NC(C)(C)C3)c12 6659851 JYKZWIAWTWATNY-UHFFFAOYSA-N 400.519 3.468 0 40 HGAB C[C@H]1CCc2c(sc(NC(=O)CSc3ccc4c(c3)OCCO4)c2C(N)=O)C1 6916335 QATUIIRTSAUCHX-NSHDSACASA-N 418.540 3.474 0 40 HGAB COC(=O)c1cc(OC(=O)CCCOc2ccc(OC)cc2)cc(C(=O)OC)c1 7007337 KRFJLRFJBXKHDV-UHFFFAOYSA-N 402.399 3.033 0 40 HGAB O=C(CN1C(=O)NC2(CCCC2)C1=O)N(CCc1ccccc1)Cc1cccs1 7287749 QGTWWUWNTMJPAD-UHFFFAOYSA-N 411.527 3.184 0 40 HGAB Cc1cccc(C)c1NC(=O)COC(=O)CCS(=O)(=O)c1ccc(Cl)cc1 7758818 JUAKWHABYSLVMF-UHFFFAOYSA-N 409.891 3.303 0 40 HGAB Cc1ccc(-c2nnc(SCC(=O)NC(=O)Nc3ccc(C)cc3C)n2N)cc1 7787366 WDFNHZBZZHFSSB-UHFFFAOYSA-N 410.503 3.025 0 40 HGAB Cc1cc(C(=O)COC(=O)CNC(=O)c2ccc(Br)cc2)c(C)s1 7820385 KKMMKPVOHUBQLQ-UHFFFAOYSA-N 410.289 3.283 0 40 HGAB CCc1cccc(CC)c1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 8036803 NIDRUJLCIVNJBI-QGZVFWFLSA-N 412.461 3.485 0 40 HGAB CS(=O)(=O)N1CCc2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)ccc21 8230655 ZHJRGLKPPLAAPI-UHFFFAOYSA-N 400.378 3.160 0 40 HGAB O=C(CSc1nnnn1C1CCCCC1)Nc1cc(Cl)ccc1-n1cncn1 8324061 FPIYAPWSNIFVNB-UHFFFAOYSA-N 418.914 3.143 0 40 HGAB COc1ccc(OC)c(-c2csc(NC(=O)[C@@H](NC(C)=O)C3CCCC3)n2)c1 8727942 GUICWIYAEBTXNL-SFHVURJKSA-N 403.504 3.461 0 40 HGAB CC(C)c1ccc(OCC(=O)NC[C@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)cc1 8987444 WPFIDQABLQSFIZ-MRXNPFEDSA-N 410.470 3.087 0 40 HGAB CCCCOc1ccc2nc(N[C@](NC(C)=O)(C(=O)OC)C(F)(F)F)sc2c1 9087587 KEQIANABCXTKQE-MRXNPFEDSA-N 419.425 3.455 0 40 HGAB CC(=O)N[C@@]1(CC(=O)Nc2c(Cl)cccc2Cl)C(=O)N(C)c2ccccc21 9302780 MCQXJHQHQXHFML-LJQANCHMSA-N 406.269 3.330 0 40 HGAB CC[C@H](NC(=O)CNC(=O)c1ccc2c(c1)OCO2)c1ccc(Br)cc1 9670799 AIWNCYIGKAQVHM-HNNXBMFYSA-N 419.275 3.175 0 40 HGAB CCn1c(SCC(=O)N2CCOCC2)nnc1-c1ccc(Cl)cc1Cl 9848685 VAMAZQQEUGDMGW-UHFFFAOYSA-N 401.319 3.223 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)NCCc1c[nH]c2ccccc12 10214186 IHJOLVKYZLNYTQ-UHFFFAOYSA-N 411.527 3.233 0 40 HGAB COc1ccc(N([C@H](C)C(=O)Nc2c(F)cccc2F)S(C)(=O)=O)cc1Cl 10372271 QFFRFHZRSRBHND-SNVBAGLBSA-N 418.849 3.420 0 40 HGAB O=C(CNC(=O)c1ccc2c(c1)OCO2)Nc1ccc(SCc2cccnc2)cc1 11598998 JSVOGYOQLBFPDT-UHFFFAOYSA-N 421.478 3.471 0 40 HGAB Cc1cc(-c2cnc(C)nc2C2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)on1 12118342 SKSWXZJMNJBCQF-UHFFFAOYSA-N 406.442 3.497 0 40 HGAB COc1cccc(CC(=O)N2CCC[C@@H](Cn3nc(-c4cccs4)ccc3=O)C2)c1 12145182 CUOIKNNWGCYJHA-GOSISDBHSA-N 423.538 3.462 0 40 HGAB Cc1ccc2c(c1)C(=O)C[C@H](C1CCN(C(=O)c3cc(-c4cnn(C)c4)no3)CC1)O2 12154167 CUAVBUYCCCWFQA-OAQYLSRUSA-N 420.469 3.270 0 40 HGAB O=C(COc1ccc(CN2CCC(O)(c3ccccc3F)CC2)cc1)N1CCCC1 12363522 IPDJWWFUMIRRHD-UHFFFAOYSA-N 412.505 3.311 0 40 HGAB CCOC(=O)c1ccc(-n2cc3c(c2-c2ccc(F)cc2)c(=O)n(C)c(=O)n3C)cc1 12411123 HLWOQBRIFXMXTR-UHFFFAOYSA-N 421.428 3.011 0 40 HGAB COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N2CCC[C@@H](C(=O)Nc3ccccc3)C2)c1C 12599664 VIBBHCIGAAZPIA-IAGOWNOFSA-N 411.502 3.340 0 40 HGAB COc1c(Br)cc(F)cc1NS(=O)(=O)c1ccc(C)c(C(=O)O)c1 12875752 PKKUGXDNSSUWGF-UHFFFAOYSA-N 418.240 3.404 0 40 HGAB COc1cc(NC(=O)[C@@H]2CCCCN2C(=O)c2cccs2)cc(OC)c1OC 12908464 TUDPJSQFHUMQNZ-AWEZNQCLSA-N 404.488 3.407 0 40 HGAB CC[C@@H](C)c1ccc(S(=O)(=O)N2CCN(C(=O)c3cccnc3S)CC2)cc1 14045649 LZXWNSYFSZHFRZ-OAHLLOKOSA-N 419.572 3.031 0 40 HGAB CCCCNC(=O)CN1CCN(c2ncnc3sc(-c4ccccc4)cc23)CC1 14235828 BAZVGAXWMQVXFW-UHFFFAOYSA-N 409.559 3.397 0 40 HGAB CC(=O)Nc1ccc(NC(=O)[C@H](C)Sc2nnc(NC[C@@H]3CCCO3)s2)cc1 14246735 OIZDVRIGKSPAIY-NHYWBVRUSA-N 421.548 3.207 0 40 HGAB CCn1c(SCC(=O)N2c3ccccc3NC(=O)C2(C)C)nnc1-c1ccncc1 16699410 FHOIFYMYPLWSEJ-UHFFFAOYSA-N 422.514 3.216 0 40 HGAB COC(=O)c1cc(C(C)C)nc2c1c(-c1cccs1)nn2[C@H]1CCS(=O)(=O)C1 16850663 YWXFXPHSQQNDLF-LBPRGKRZSA-N 419.528 3.429 0 40 HGAB NC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCN(C(=O)c2cccc(F)c2)C1 19348439 NYYJYYXQQPOYAJ-DEOSSOPVSA-N 403.457 3.448 0 40 HGAB COc1ccc(CN2CCO[C@@H](c3nc(-c4ccccc4)no3)C2)c(OC)c1OC 19552864 YJIGUKPCPNNAEZ-GOSISDBHSA-N 411.458 3.336 0 40 HGAB Cc1nn(C)cc1CN(C)Cc1nc(C)c2c(n1)N(Cc1ccc(F)cc1)C(=O)CC2 19698616 IUMOTENIPILHKK-UHFFFAOYSA-N 422.508 3.077 0 40 HGAB Cc1ccc2nc(NC(=O)CN3CCN(Cc4ccc5c(c4)OCO5)CC3)sc2c1 19921536 DXKFZGVSCPRTBY-UHFFFAOYSA-N 424.526 3.090 0 40 HGAB CCCS(=O)(=O)c1ncc(Cl)c(C(=O)Oc2cccc(Br)c2)n1 32623372 KIMWUFMTSJYPJS-UHFFFAOYSA-N 419.684 3.295 0 40 HGAB Cc1cccc(N2C[C@@H](C(=O)N3CCN(C(=O)Nc4ccccc4)CC3)CC2=O)c1C 32784250 IMLQIFUORJHNKI-IBGZPJMESA-N 420.513 3.033 0 40 HGAB C[C@H](C(=O)N(C)c1ccccc1)S(=O)(=O)Cc1cc(Cl)c2c(c1)OCCO2 36396422 WJKNAGQIBLYPRJ-CYBMUJFWSA-N 409.891 3.078 0 40 HGAB COc1ccc(Cl)cc1N(CC(=O)N[C@H](C)c1ccc(C)cc1)S(C)(=O)=O 38753262 PIYKROLYXIQMPD-CQSZACIVSA-N 410.923 3.300 0 40 HGAB CS(=O)(=O)N1CC[C@H](C(=O)Nc2ccccc2C(F)(F)F)Oc2ccccc21 38849830 JNSIYCWCHFTSTN-MRXNPFEDSA-N 414.405 3.261 0 40 HGAB CCN1C(=O)/C(=C/c2cn(CC(=O)N3CCCCCC3)c3ccccc23)NC1=S 39556607 YSVSWCPZKANILZ-AQTBWJFISA-N 410.543 3.121 0 40 HGAB CS(=O)(=O)N(CC(=O)Nc1ccccc1OC(F)F)c1cccc(Cl)c1 39977909 SKVPTOVONNWGFK-UHFFFAOYSA-N 404.822 3.346 0 40 HGAB COc1ccc(Cc2nnc(NC(=O)[C@@H]3CC(=O)N(C)[C@@H]3c3ccccc3)s2)cc1 40268913 PSWZRQGUYVEBAF-YLJYHZDGSA-N 422.510 3.296 0 40 HGAB CCCC(=O)Nc1cccc(CNC(=O)[C@H]2CC(=O)N(CCc3ccccc3)C2)c1 44663509 RDQBXDPHIUWUAE-FQEVSTJZSA-N 407.514 3.133 0 40 HGAB C[C@H]1C[C@H](C)CN(Cc2ccccc2CNC(=O)Cn2ncc3ccccc3c2=O)C1 48342585 GVVFWOHXPSSHQV-OALUTQOASA-N 418.541 3.191 0 40 HGAB Cn1cnnc1Sc1ccc(NC(=O)c2ccc(CN3CCCC3=O)cc2)cc1 54732179 DYBUBPQBKWZVQY-UHFFFAOYSA-N 407.499 3.341 0 40 HGAB COc1ccc(N2C[C@H](C(=O)N3CCN(c4ccc(Cl)cc4)CC3)CC2=O)cc1 57416701 JFEUXSIBFWDXMG-MRXNPFEDSA-N 413.905 3.050 0 40 HGAB CC(C)CCNC(=O)Cn1c(=O)n(Cc2cccc(Cl)c2)c(=O)c2ccccc21 57472857 AWTNKOTWFZIUOC-UHFFFAOYSA-N 413.905 3.027 0 40 HGAB COc1cc(N2C[C@H](C(=O)N3CCCc4cccc(C)c43)CC2=O)cc(OC)c1OC 58690691 OHCOFSNTAZRQSK-QGZVFWFLSA-N 424.497 3.353 0 40 HGAB CCOc1ccc(NC(=O)c2nnn(CC(=O)Nc3ccc(F)cc3F)c2C)cc1 71327129 YNKUJBCBULUZFV-UHFFFAOYSA-N 415.400 3.154 0 40 HGAB CS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1cc(Cl)c2c(c1)OCCCO2 71817373 QJSQHUQLFFTVOO-UHFFFAOYSA-N 421.902 3.498 0 40 HGAB CCOC(=O)c1sc(NC(=O)N2CCSC[C@@H]2C)c(C(=O)OCC)c1C 72291889 JMJULUFGOXHJFE-JTQLQIEISA-N 400.522 3.379 0 40 HGAB O=C(CN1N=C(c2ccc(F)cc2)Cn2c(cc3ccccc32)C1=O)N1CCCC1 72334569 LSFIVUVLADIKIS-UHFFFAOYSA-N 404.445 3.263 0 40 HGAB Cn1cc(-c2ccncc2)c(-c2cccc(CNC(=O)COC[C@@H]3CCCCO3)c2)n1 72344991 YLCKUCBTUOPATR-NRFANRHFSA-N 420.513 3.351 0 40 HGAB CCn1c(C)nc2cc(NS(=O)(=O)c3ccc4c(c3)[C@H](NC(C)=O)CC4)ccc21 72345815 UDGMVPMEGFGSSJ-LJQANCHMSA-N 412.515 3.289 0 40 HGAB O=C(CN1CCOCC1)N1CCC[C@@H](c2cccc(Cc3ccccc3Cl)n2)C1 72349717 LYZYHQLCJHSIDG-LJQANCHMSA-N 413.949 3.364 0 40 HGAB Cc1cc(Nc2nc(C)cs2)cc([C@H]2CCCN2C(=O)Cn2nc(C)ccc2=O)n1 72372606 ZPSOJIQPHBXSAZ-GOSISDBHSA-N 424.530 3.127 0 40 HGAB O=C(Nc1ccccc1C(F)(F)F)N1CCN(C(=O)c2cnn3ccccc23)CC1 77101303 QVCSPXNZMKYZHS-UHFFFAOYSA-N 417.391 3.343 0 40 HGAB COC(=O)COc1ccc([C@H]2SC(C)=Nc3c2c(=O)[nH]n3C(C)C)cc1OC 85412318 XYBPPWURJFFEJC-QGZVFWFLSA-N 405.476 3.204 0 40 HGAB O=C([C@@H](c1ccccc1)S(=O)(=O)Cc1cc(Cl)c2c(c1)OCO2)N1CCCC1 89823204 REAPLGPYTAUMCA-LJQANCHMSA-N 421.902 3.347 0 40 HGAB COc1cccc(-c2ccc3ccc(-n4ccc(C(=O)NCCN(C)C)n4)n3c2)c1 96155441 NMFDAXQRKUQMKC-UHFFFAOYSA-N 403.486 3.092 0 40 HGAB CCS(=O)(=O)[C@](Cl)(Br)[C@H](O)c1ccc(Br)cc1 96519821 GFXQIBCSXKGWKL-ZJUUUORDSA-N 406.523 3.205 0 40 HGAB Cc1ccc(NC(=O)CN2N=N[C@@H]3C(=O)N(c4ccc(C(C)C)cc4)C(=O)[C@H]32)cc1 101168458 LNSJSJPJXKGNAU-PMACEKPBSA-N 405.458 3.050 0 40 HGAB COc1ccc(-c2noc(CNC(=O)COc3ccccc3Cl)n2)c(OC)c1 218851778 FWAUDQWQIKOKMZ-UHFFFAOYSA-N 403.822 3.102 0 40 HGAB CSc1cccc(N(CC(=O)N[C@@H](C)CCc2ccccc2)S(C)(=O)=O)c1 220068965 JFGZENFHXDJXPM-INIZCTEOSA-N 406.573 3.312 0 40 HGAB COc1ccc(S(=O)(=O)NCc2cccc3ccccc23)cc1N1CCCC1=O 222867921 BAQPBSSNSVKYJG-UHFFFAOYSA-N 410.495 3.454 0 40 HGAB COCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(C(=O)O)cc1 223023105 URQXDIIDKGYQJY-WOJBJXKFSA-N 422.510 3.189 0 40 HGAB S=C1N[C@@H](c2ccccn2)[C@@H](c2ccc(Cl)s2)N1CCCN1CCOCC1 223168358 AGPJBCYIJMZNCQ-ZWKOTPCHSA-N 423.007 3.491 0 40 HGAB CCOCCCNC(=O)c1ccc(CN(c2cc(C)ccc2C)S(C)(=O)=O)cc1 223477883 SLAGAZJDGCCEOX-UHFFFAOYSA-N 418.559 3.426 0 40 HGAB C[C@@H](NC(=O)CN1C(=O)c2cccc3cccc1c23)c1ccc(S(C)(=O)=O)cc1 223844456 ZJYOIZGBCPFLMW-CQSZACIVSA-N 408.479 3.081 0 40 HGAB O=S(=O)(NCC1CCN([C@@H]2CCSC2)CC1)c1ccc(C(F)(F)F)cc1 225573947 KPDAXHPJXSDGOO-OAHLLOKOSA-N 408.511 3.201 0 40 HGAB O=C1CCCN1c1ccc(NC(=S)NCc2ccccc2CN2CCOCC2)cc1 225778544 GLDZTPLJQMSJRR-UHFFFAOYSA-N 424.570 3.132 0 40 HGAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)NCc2cccc(C)c2)cc1C 226065184 KYVPYAQJEQBDTC-UHFFFAOYSA-N 404.532 3.029 0 40 HGAB O=C(COc1ccc2c(c1)OCO2)N1CCCC2=C[C@H]3C[C@H](CN4CCCC[C@@H]34)[C@H]21 257199157 VBSIUGOTPKTTKF-KBVWPGPTSA-N 410.514 3.216 0 40 HGAB CCn1c(C)nc2cc(C(=O)NS(=O)(=O)c3cccc(Br)c3)ccc21 257300896 RWCPMROEIKHISE-UHFFFAOYSA-N 422.304 3.246 0 40 HGAB O=C(NCCc1ccncc1)C1=NO[C@H]2CCC3(CCN(CC4CCCC4)CC3)[C@@H]12 306125808 DCWCOZWQQOLXBP-LEWJYISDSA-N 410.562 3.178 0 40 HGAB CC1CCN(S(=O)(=O)c2ccc(OCC(=O)NC3CCCCCC3)cc2)CC1 408606168 NZCSFPXHEKJADN-UHFFFAOYSA-N 408.564 3.325 0 40 HGAB C[C@H](CCc1ccccc1)NC(=O)CN(Cc1ccc(Cl)cc1)S(C)(=O)=O 408612660 UBPNLTYSQXCTDY-MRXNPFEDSA-N 408.951 3.239 0 40 HGAB COc1cccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3cccc(C)c3)[C@@H]2c2ccccc2)c1 409058911 ZKIXRYUOJCKGJP-LIFFMEMSSA-O 414.485 3.020 0 40 HGAB Cc1ccc(C(=O)N[C@@H]2C(=O)N/[N+](=C\c3ccc(F)cc3)[C@@H]2c2ccc(C)cc2)cc1 409071071 OHFARTPJQPCRIF-LMOLPZMTSA-O 416.476 3.459 0 40 HGAB O=C(NCCN1CCN(Cc2ccccc2)CC1)c1ccn(Cc2ccccc2)c1 514170996 WYUOUKBLAJXPMC-UHFFFAOYSA-N 402.542 3.084 0 40 HGAB COc1ccc([C@H]2C3=C(CN(C(C)=O)C3=O)Nc3cccc4c3c2cn4C)c(OC)c1 604406297 FMCFELMZLDADAO-OAQYLSRUSA-N 417.465 3.396 0 40 HGAB biogenic COCC(=O)N1CCC[C@@](O)(c2nc(C)c(CCOc3ccccc3F)s2)CC1 607854119 QVMWIPOJNJOGKG-NRFANRHFSA-N 422.522 3.059 0 40 HGAB CC(C)COc1ncc(C(=O)N2CCN(c3cccc(F)c3)C(=O)C2)cc1Cl 622513174 IBNWVQXIYIGGEZ-UHFFFAOYSA-N 405.857 3.398 0 40 HGAB CC1(C)CC(NC(=O)CC2(N3Cc4ccccc4C3=O)CCOCC2)CC(C)(C)N1 1081814717 ZFRFKKWMZFPVQF-UHFFFAOYSA-N 413.562 3.007 0 40 HGAB Cc1ccc(F)c(-c2cc(NC(=O)Cc3csc(S[C@@H](C)C(N)=O)n3)n[nH]2)c1 1570098647 LTOVDKFMFUVHFH-JTQLQIEISA-N 419.507 3.128 0 40 HGAB Fc1cccc(-c2ccc(N3CCN(Cc4nnc(C(F)(F)F)o4)CC3)nn2)c1 1775975664 LXPIQHHVGKIGNO-UHFFFAOYSA-N 408.359 3.007 0 40 HGAB O=C(CN1CCC[C@@](O)(COc2ccc(F)cc2)C1)Nc1ccc(F)c(Cl)c1 2037916252 ZOEHKHGSXCXYKH-FQEVSTJZSA-N 410.848 3.463 0 40 HGAB COc1ccc2cc(CN(CCO)C(=O)Nc3cccc(Cl)c3)c(=O)[nH]c2c1 1327486 PHMNYYBMOAAOIU-UHFFFAOYSA-N 401.850 3.217 0 40 HGAB O=C(CSc1nn(-c2ccccc2)c(=S)s1)NC(=O)NCc1ccco1 3366782 UAOAPAXCSHPEPG-UHFFFAOYSA-N 406.514 3.374 0 40 HGAB aggregator COc1ccc(CN(C)C(=O)COc2ccc3c4c(c(=O)oc3c2)CCC4)cc1OC 3420759 AEUVQRPAPDSABL-UHFFFAOYSA-N 423.465 3.336 0 40 HGAB Cc1ccc2[nH]c(=O)c(CN(Cc3cccnc3)C(=S)NCCCN(C)C)cc2c1 4126981 MXQPLYGHYGSJQP-UHFFFAOYSA-N 423.586 3.060 0 40 HGAB COc1cc2c(cc1OC)CN(CC(=O)N1CCc3[nH]c4ccc(C)cc4c3C1)CC2 4888986 ADSZXYRFVWCQMB-UHFFFAOYSA-N 419.525 3.437 0 40 HGAB biogenic O=C(CN1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O)NCCc1ccc(O)cc1 5349196 XKGZRPJLHXDRBW-BOPFTXTBSA-N 416.886 3.441 0 40 HGAB CCc1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 5616389 DNXANAMCBAWBEN-UHFFFAOYSA-N 408.907 3.176 0 40 HGAB Cn1c(CC(=O)Nc2ccccc2)nnc1SCC(=O)Nc1ccccc1Cl 6479981 MUZAPSGYTIHJRF-UHFFFAOYSA-N 415.906 3.381 0 40 HGAB COc1ccccc1OCCC(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 6584534 DBCNPOWGWYDZJI-UHFFFAOYSA-N 418.515 3.277 0 40 HGAB COc1ccc(-c2noc(CN(C)C(=O)COc3ccccc3Cl)n2)cc1OC 6760185 PAVCUWKVSPHWIT-UHFFFAOYSA-N 417.849 3.445 0 40 HGAB CCN(Cc1ccccc1)C(=O)COC(=O)c1ccc(CNC(=O)NC(C)C)cc1 6849898 UMPLIRMEHLYTHU-UHFFFAOYSA-N 411.502 3.100 0 40 HGAB CC(C)[C@@H](C)NC(=O)CSc1nc2cc(Cl)ccc2c(=O)n1C[C@@H]1CCCO1 6882120 ZKBDWDZVIZCVEG-HIFRSBDPSA-N 423.966 3.482 0 40 HGAB COc1ccccc1C(=O)N[C@H](CCSC)C(=O)NCCSCc1ccco1 7007568 XJICGCMOGJAYCR-QGZVFWFLSA-N 422.572 3.189 0 40 HGAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)CSc2nnc3n2CCCCC3)c1 7280547 QZLMUILCRBWIHL-KRWDZBQOSA-N 416.547 3.478 0 40 HGAB COc1ccc(OC)c([C@@H]2CCCN2CC(=O)NC(=O)Nc2ccccc2F)c1 7718666 MUVLVNRTHNXWGO-SFHVURJKSA-N 401.438 3.328 0 40 HGAB C[C@@H]1CCCC[C@H]1NC(=O)CN(C)CC(=O)Nc1ccc(OC(F)(F)F)cc1 8238463 PCHIXJBXDZUETJ-CZUORRHYSA-N 401.429 3.150 0 40 HGAB COc1ccc(Cl)cc1NC(=O)CCCNS(=O)(=O)c1ccc(F)cc1 8288713 SYPPMXRYBRELKR-UHFFFAOYSA-N 400.859 3.185 0 40 HGAB COc1ccccc1NC(=O)Nc1cccc(S(=O)(=O)NCc2ccco2)c1 8312753 PNRJPHDOIFVODD-UHFFFAOYSA-N 401.444 3.411 0 40 HGAB COc1ccc([C@@H]2NC(=S)N[C@@](O)(C(F)(F)F)[C@H]2C(=O)c2cccs2)cc1 8385989 GSFXSFLLWNKGBG-WWGRRREGSA-N 416.446 3.026 0 40 HGAB Cc1ccc(-n2nc(C(=O)NCCO)nc2-c2ccc(Br)cc2)c(C)c1 8476469 PMEFTYKUNWQPOP-UHFFFAOYSA-N 415.291 3.036 0 40 HGAB COc1ccc([C@H](CNC(=O)Cc2ccc(N3CCCC3=O)cc2)N2CCCC2)cc1 8777436 JNYFSUJXBMZNNS-QHCPKHFHSA-N 421.541 3.318 0 40 HGAB Cn1cnnc1SCC(=O)Nc1ccc(C(=O)N2CCC[C@@H]3CCCC[C@H]32)cc1 8879505 AGFYWEQNZQVXMV-MAUKXSAKSA-N 413.547 3.341 0 40 HGAB CN(CC(=O)Nc1ccc(N2CCCC2=O)cc1)Cc1cnn(-c2ccccc2)c1 8939551 VRUDNQACNRASCV-UHFFFAOYSA-N 403.486 3.070 0 40 HGAB O=C1N[C@]2(CCOc3ccccc32)C(=O)N1Cc1cc(Cl)c2c(c1)OCCCO2 9500583 YPIVPXXWKXVJEA-NRFANRHFSA-N 414.845 3.231 0 40 HGAB CC(=O)N[C@@H](CC(=O)N1CCCN(C)c2nc3ccccc3nc21)c1ccc(C)cc1 10934852 MZHROUXAIWSIGH-NRFANRHFSA-N 417.513 3.379 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCCN(C(=O)c3ccc4ccccc4c3O)CC2)cc1 11001682 GUSAQMJCJSKHKW-UHFFFAOYSA-N 424.522 3.391 0 40 HGAB COc1ccc(C2=NN(CC(=O)NC(C)(C)C)C(=O)c3cc4ccccc4n3C2)cc1 12113629 DDRAIEAPZJVTLI-UHFFFAOYSA-N 418.497 3.425 0 40 HGAB Cc1cc(-c2cnc(C)nc2[C@H]2CCCN(CC(=O)Nc3nc(C)cs3)C2)on1 12118498 JSFRIKFIZSXMST-HNNXBMFYSA-N 412.519 3.331 0 40 HGAB Cn1cc(Cl)c([C@@H]2CCCCCN2S(=O)(=O)c2ccc3c(c2)OCCO3)n1 12159681 WPPAYKLFTDOLOL-HNNXBMFYSA-N 411.911 3.151 0 40 HGAB CC(C)c1nc2ccccc2c2nn(CC(=O)NC34CC5CC(CC(C5)C3)C4)c(=O)n12 12181928 LFAOGBFUIGEJQK-UHFFFAOYSA-N 419.529 3.253 0 40 HGAB COc1ccccc1OCC(=O)N[C@@H]1CC(C)(C)Cc2nc(N3CCCC3)ncc21 12221033 SAOWCSDKDWKBIM-QGZVFWFLSA-N 410.518 3.294 0 40 HGAB COc1ccccc1CCC(=O)N1CCC([C@H](NC(C)=O)c2nccs2)CC1 12365729 LZOHQLUQLJFNFK-FQEVSTJZSA-N 401.532 3.200 0 40 HGAB O=C(COC(=O)CCC(=O)c1cccs1)COC(=O)CCC(=O)c1cccs1 12549755 HGMMEUGGHSDSPR-UHFFFAOYSA-N 422.480 3.091 0 40 HGAB Cn1cc(C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)c2ccccc21 12610130 LWULWGCRIUBUSP-UHFFFAOYSA-N 411.527 3.283 0 40 HGAB Cc1nc(-c2ccsc2)sc1C(=O)NCc1ccccc1S(=O)(=O)N(C)C 12756969 XPDHSRWGZNDKBW-UHFFFAOYSA-N 421.569 3.360 0 40 HGAB COc1cc(OC)c(NC(=O)Cc2c(C)nc3nc(SC)nn3c2C)cc1Cl 12770261 NFZKOBBEUXASDP-UHFFFAOYSA-N 421.910 3.315 0 40 HGAB Cc1cc(NC(=O)[C@H](C)NS(=O)(=O)c2ccccc2F)ccc1Br 12776061 AJOBXRCREDRYQP-NSHDSACASA-N 415.284 3.202 0 40 HGAB COc1cccc(CC(=O)Nc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)c1 12823919 VVBGJVGJDJGWLC-UHFFFAOYSA-N 402.516 3.297 0 40 HGAB COc1ccc(NC(=O)CN(C)C(=O)[C@@H](C)Oc2ccc(Br)cc2)cc1 12850886 FBOJTHFGVGSUSW-CYBMUJFWSA-N 421.291 3.322 0 40 HGAB O=C(NCCc1ccc(-n2cccn2)cc1)c1ccccc1I 12920880 CCTNPKMKVHIMIA-UHFFFAOYSA-N 417.250 3.449 0 40 HGAB CNC(=O)c1ccc(CN(C)C(=O)CCn2c(-c3ccc(C)cc3)n[nH]c2=S)cc1 12932497 DYICCBWLCSYULI-UHFFFAOYSA-N 423.542 3.324 0 40 HGAB O=C(Cc1ccc(Br)cc1)Nc1ccc(C(=O)N2CCOCC2)cc1 13329690 SMVGUMKHCRQBLP-UHFFFAOYSA-N 403.276 3.103 0 40 HGAB COc1ccc(-c2cc(C(=O)N(CC(N)=O)C(C)C)c3ccccc3n2)cc1OC 14237544 JSVWUCBTWNXHCM-UHFFFAOYSA-N 407.470 3.255 0 40 HGAB CCOC(=O)C1=C(COC(=O)C2(c3ccccc3)CCC2)NC(=O)N[C@@H]1c1ccco1 16377108 GELALOMGDRJOTM-LJQANCHMSA-N 424.453 3.116 0 40 HGAB COc1cccc(NC(=O)[C@@H](Cc2ccccc2)n2c(=O)[nH]c3ccccc3c2=O)c1 17028805 ZGIMNRPSFIFVCV-OAQYLSRUSA-N 415.449 3.121 0 40 HGAB COc1ccc(CC(=O)N2CC[C@@H](c3nc(C)ncc3-c3ccccn3)C2)cc1OC 19286887 GVLIYRCUAXYBKI-GOSISDBHSA-N 418.497 3.423 0 40 HGAB O=c1[nH]cc(-c2ccccc2)cc1CNC[C@H](c1ccc(F)cc1)N1CCOCC1 19373983 JIVNTABFJAHNAZ-HSZRJFAPSA-N 407.489 3.344 0 40 HGAB COc1cc(C)c(CN2CCC[C@@H](c3ncccc3S(C)(=O)=O)C2)cc1OC 19567070 AAKDNJOXBDQGLQ-MRXNPFEDSA-N 404.532 3.190 0 40 HGAB CCN(CC)C(=O)CN1CCC[C@@H](c2nc(N(C)C)ncc2-c2ccc(F)cc2)C1 19694673 GNDNBASDGTZEEG-GOSISDBHSA-N 413.541 3.397 0 40 HGAB Cc1cc2ncc(CN(C)C)c([C@H]3CCCN3C(=O)Cc3c[nH]c4ccccc34)n2n1 19743552 DYVTZAUXPHMFDX-OAQYLSRUSA-N 416.529 3.487 0 40 HGAB Cc1cc(N(CC(=O)N(C)C2CCCCC2)S(C)(=O)=O)ccc1Br 20459962 AHJMWMCTTSEALE-UHFFFAOYSA-N 417.369 3.315 0 40 HGAB Cc1c(Cl)cccc1NC(=O)[C@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1 20483284 QYYGLGXPDRMTII-MRXNPFEDSA-N 415.298 3.468 0 40 HGAB Cc1nccn1-c1ccc(CNC(=O)c2ccc(NS(C)(=O)=O)cc2Cl)cc1 20489734 CFLHAOQOMYHBBS-UHFFFAOYSA-N 418.906 3.136 0 40 HGAB CC(=O)NC12C[C@H]3C[C@@H](C1)CC(C(=O)OCC(=O)N[C@H](C)c1ccc(F)cc1)(C3)C2 21178889 WLEAFJWIUTUUNB-PSUPBEEBSA-N 416.493 3.021 0 40 HGAB O=C(CN1N=C(c2ccccc2)c2cc(Cl)ccc2S1(=O)=O)NC1CCCC1 21942585 WDHFAXBYNRNENC-UHFFFAOYSA-N 417.918 3.156 0 40 HGAB CCC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(OCC)cc1 22247765 SQBVKDRHWUPHBD-LAUBAEHRSA-N 418.559 3.280 0 40 HGAB COc1ccc2oc(C(=O)OCC(=O)Nc3ccc(N4CCOCC4)cc3)c(C)c2c1 23080616 SCKPFVKMKKAOQL-UHFFFAOYSA-N 424.453 3.382 0 40 HGAB O=C(/C=C/c1cnn(-c2ccccc2)c1)NC[C@@H](c1cccs1)N1CCOCC1 23199780 KEQUEHPFHBFNPP-IBDYFIJFSA-N 408.527 3.137 0 40 HGAB C[C@@H](NC(=O)c1ccc(S(=O)(=O)NCCc2cccs2)cc1)c1ccncc1 24541919 ZAXBEHFYCMDSCE-OAHLLOKOSA-N 415.540 3.155 0 40 HGAB CS(=O)(=O)N[C@@H]1CCCN(C(=O)C2(c3cccc(C(F)(F)F)c3)CCCC2)C1 29200296 NTSBXVAGQFVKKD-MRXNPFEDSA-N 418.481 3.057 0 40 HGAB COC(=O)C[C@@H](NC(=O)c1ccc2c(c1)CCN2C(C)=O)c1ccc(Cl)cc1 30992353 AYJLWMJADGJZPZ-GOSISDBHSA-N 400.862 3.283 0 40 HGAB O=C(CCc1ccc2c(c1)OCO2)N1CCC(C(=O)N2CCc3ccccc3C2)CC1 31191054 IWPJIDCUKYAWIO-UHFFFAOYSA-N 420.509 3.171 0 40 HGAB CC(C)[C@@H](NC(=O)c1ccc(F)cc1)C(=O)NCc1ccc(N2CCCC2=O)cc1 32769068 ZDRQFBHCXGHXHJ-OAQYLSRUSA-N 411.477 3.023 0 40 HGAB C[C@@H](NC(=O)CSc1nc2ncccc2c(=O)n1-c1ccccc1)c1ccco1 32885489 HFWQPETYAKITDB-CQSZACIVSA-N 406.467 3.343 0 40 HGAB C[C@]1(c2cccc(C(F)(F)F)c2)NC(=O)N(CN2CCc3ccccc3C2)C1=O 32935482 HILSUAWVHBGUEM-HXUWFJFHSA-N 403.404 3.488 0 40 HGAB Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)N3CCOCC3)ccc2Cl)c1 33608295 JRQQOEPMYDVVAA-UHFFFAOYSA-N 408.907 3.230 0 40 HGAB Cc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)N4CCN(C)CC4)cc3N2)cc1 33927164 HNWWNDJRBHIJHJ-RDJZCZTQSA-N 407.440 3.239 0 40 HGAB Cc1ccccc1CNC(=O)[C@H]1CN(S(C)(=O)=O)c2cc(C(C)(C)C)ccc2O1 38848748 UIGKGTMJLZYYHY-HXUWFJFHSA-N 416.543 3.136 0 40 HGAB Cc1nc(S)sc1CC(=O)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 40037727 YLDUZORSXISJIB-UHFFFAOYSA-N 418.540 3.175 0 40 HGAB Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(Nc4ccc(C)cc4)[nH]c(=O)c32)cc1 40400359 VUDDODLSCOCDNI-INIZCTEOSA-N 403.442 3.195 0 40 HGAB CCOc1ccc([C@H](C)NC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)cc1 44847358 MKDPCTQYZMNDHA-AWEZNQCLSA-N 410.923 3.382 0 40 HGAB Cn1nc(CC(=O)NCc2ccc(Oc3ccc(F)cc3)nc2)c2ccccc2c1=O 46308394 LXQVZWOKWFJVGD-UHFFFAOYSA-N 418.428 3.119 0 40 HGAB CCn1nnc2cc(C(=O)N[C@H]3CC4(CCN(C)CC4)Oc4ccccc43)ccc21 48303911 PRZRWTZZCDARMY-IBGZPJMESA-N 405.502 3.169 0 40 HGAB CC(=O)Nc1c(-c2ccccn2)nsc1C(=O)N1CCN(c2ccccc2)CC1 49007673 STXYJRIEQFWBCC-UHFFFAOYSA-N 407.499 3.126 0 40 HGAB C[C@@H](NCc1ccccc1CN1CCCCC1)C(=O)N1CC(=O)Nc2ccccc21 57273614 UIPWPTLDCAHDFO-GOSISDBHSA-N 406.530 3.136 0 40 HGAB CCOc1ccc(OCC)c(NC(=O)CN2CCN(c3ccccc3F)CC2)c1 57711549 PYKGUWFGIWOPGC-UHFFFAOYSA-N 401.482 3.384 0 40 HGAB Cc1nccc(-c2cccc(NC(=O)CNS(=O)(=O)c3ccc(Cl)s3)c2)n1 58210734 AMTBSOOKCUNMKC-UHFFFAOYSA-N 422.919 3.084 0 40 HGAB C[C@@H](Sc1nc2ccc(NS(C)(=O)=O)cc2s1)C(=O)Nc1nccs1 59489646 NSWHLZOQDWMUFV-MRVPVSSYSA-N 414.559 3.244 0 40 HGAB O=C(Nc1ccc(F)c(Cl)c1)C1CCN(c2ccc(-n3cccn3)nn2)CC1 62022685 HAKCQSWLDKNBET-UHFFFAOYSA-N 400.845 3.310 0 40 HGAB C[C@@H](NC(=O)CCC[S@](=O)c1ccc(Br)cc1)C(C)(C)CN(C)C 72297869 ZVSYDZKYKYZOBF-JBEBIEQOSA-N 417.413 3.429 0 40 HGAB Cc1oc(C2CC2)cc1C(=O)N1CCC2(CC1)C[C@]1(CO2)NC(=O)c2ccccc2N1 72325330 WFNVXFCSRWZFJQ-XMMPIXPASA-N 421.497 3.412 0 40 HGAB NC(=O)c1ccc(-c2cnc(N)nc2[C@H]2CCCN(CCc3ccccc3)C2)cc1 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HGAB O=C(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 102327804 YVIHJDKZQNSBST-BETUJISGSA-N 417.437 3.368 0 40 HGAB COc1ccccc1[C@@H]1C=C(C(=O)O)Nc2c(C(=O)Nc3cccc(F)c3)cnn21 102810803 MMXRPTMZHRTURM-KRWDZBQOSA-N 408.389 3.267 0 40 HGAB COc1ccc(CCN2C(=O)C[C@@H](Nc3ccc(SC)cc3)C2=O)cc1OC 103022431 XPEHQALGEZHHFP-QGZVFWFLSA-N 400.500 3.208 0 40 HGAB COc1cc2ncn(CCCC(=O)N[C@@H](C)[C@H]3C[C@H]4CC[C@H]3C4)c(=O)c2cc1OC 105634078 XTFPCMDVSGJDLF-LUKYLMHMSA-N 413.518 3.135 0 40 HGAB Cc1cc(C)c([C@H](C)NC(=O)c2ccc(N(C)S(=O)(=O)N(C)C)cc2)cc1C 223446741 DORNGUQBXPQFSX-KRWDZBQOSA-N 403.548 3.345 0 40 HGAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1nccs1 223606740 VAPMVJUBBRUSJO-MSOLQXFVSA-N 413.572 3.301 0 40 HGAB O=C(NCc1ccc2c(c1)OCCO2)c1cccc(S(=O)(=O)Nc2ccccc2)c1 224073784 YRWPVTIMMYOFTA-UHFFFAOYSA-N 424.478 3.189 0 40 HGAB CCc1ccccc1N(CC(=O)NCCOc1ccc(C)c(Cl)c1)S(C)(=O)=O 224129374 DDNXHEUWWIZAJA-UHFFFAOYSA-N 424.950 3.172 0 40 HGAB COc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NCCC(C)C)cc2)cc1 224440090 LPSZMRJJAFGQNO-UHFFFAOYSA-N 404.532 3.292 0 40 HGAB O=C(c1cc2n(n1)CCCC2)N1CCN(C(=O)c2cc(Cl)sc2Cl)CC1 225603123 CNCUCKGOJWJBSU-UHFFFAOYSA-N 413.330 3.186 0 40 HGAB COCCNC(=S)Nc1nc(N2CCCCCC2)cc(N2CCC[C@@H](C)C2)n1 225898475 BJZPVMJKAPOSCX-MRXNPFEDSA-N 406.600 3.026 0 40 HGAB CCOC(=O)Cc1ccc(NC(=O)c2ccc(Cl)c(N(C)S(C)(=O)=O)c2)cc1 225971818 BJHTUDZFMFIURM-UHFFFAOYSA-N 424.906 3.094 0 40 HGAB CN(C(=O)CN(Cc1ccc(Cl)c(Cl)c1)S(C)(=O)=O)c1ccccc1 226063471 NWUXAGUJGXEDSJ-UHFFFAOYSA-N 401.315 3.418 0 40 HGAB CNC(=O)c1sc2nc(C3(C)CCN(CC4CCOCC4)CC3)ccc2c1N 257294622 QUYVEFDMAWHNLB-UHFFFAOYSA-N 402.564 3.018 0 40 HGAB Cc1cccnc1Nc1cccc(C2CCN(C(=O)[C@@H](C)CN3CCOCC3)CC2)n1 257332423 XXGWFLICHIXMKD-IBGZPJMESA-N 423.561 3.203 0 40 HGAB COCCCNC(=S)Nc1nc(N2CCC[C@@H](C)C2)cc(N2CCCC[C@H]2C)n1 260737650 MUFXBVBFHVLSFA-IAGOWNOFSA-N 420.627 3.415 0 40 HGAB CCc1ccc([C@@H](C)NC(=O)[C@H]2CN(S(=O)(=O)CC)c3ccccc3O2)cc1 260762237 HBCPWIUOCMADQU-FOIQADDNSA-N 402.516 3.044 0 40 HGAB CCOC(=O)N1CCN(C(=O)C(=O)c2c(-c3ccc(F)cc3)cc3ccccn23)CC1 408676881 ORXXQXBNQJFEMX-UHFFFAOYSA-N 423.444 3.229 0 40 HGAB CS(=O)(=O)N(Cc1ccccc1)c1ccccc1C(=O)NC[C@@H](O)c1ccccc1 408727706 RQVWMAYOTOHGTJ-JOCHJYFZSA-N 424.522 3.116 0 40 HGAB CS(=O)(=O)N(CC(=O)NCCSC1CCCCC1)c1ccccc1Cl 409026784 YDGVHSBGQPLSAC-UHFFFAOYSA-N 404.985 3.288 0 40 HGAB COCCCN1C(=O)S/C(=C/c2ccc(O)c(I)c2)C1=O 409252557 SQTYRYKLXVZANQ-XYOKQWHBSA-N 419.240 3.070 0 40 HGAB O=C(NCc1nc(C2CCC(F)(F)CC2)no1)c1cncc(Br)c1 575605254 BZDJYJXUCSIGGX-UHFFFAOYSA-N 401.211 3.450 0 40 HGAB COC1(c2nc(C3CC3)no2)CCN(CC(=O)Nc2cccc(Cl)c2C)CC1 583615901 MCWUQKFWTUVMJA-UHFFFAOYSA-N 404.898 3.485 0 40 HGAB O[C@]1(COc2ccccc2)COCCN(C[C@]2(O)CC[C@@H](c3ccccc3)CC2)C1 585288058 VGERBERSWOBOID-CAOCKLPOSA-N 411.542 3.218 0 40 HGAB COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)C(=O)NCCCC1CC1)CC2 673089719 IHUPOLJMOFURDA-HSZRJFAPSA-N 422.525 3.484 0 40 HGAB COC(=O)c1cc(NC(=S)NC(=O)c2cc3ccccc3o2)cc(C(=O)OC)c1 679014 WGDHXGSOCZQZFX-UHFFFAOYSA-N 412.423 3.133 0 40 HGAB CCCn1c(=O)c2ccccc2n2c(SCC(=O)N3[C@H](C)CCC[C@H]3C)nnc12 1331783 MZYXWZQNQSIKPN-HUUCEWRRSA-N 413.547 3.336 0 40 HGAB CC[C@@H](C)C(=O)Nc1ncc2c(n1)C[C@@H](c1cc(OC)c(OC)c(OC)c1)CC2=O 2217000 RPCFHTWQSUMJDC-CHWSQXEVSA-N 413.474 3.400 0 40 HGAB CCCCCn1c(Sc2nc3ccccc3s2)nc2c1c(=O)[nH]c(=O)n2C 2429464 IRSCSUYQQBSTMS-UHFFFAOYSA-N 401.517 3.374 0 40 HGAB O=C(COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccco1)Nc1ccc(F)cc1 2653445 DDOJZXLVKWLIBI-IBGZPJMESA-N 422.412 3.168 0 40 HGAB O=C(NCc1ccccc1)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccccc1F 2657084 ZWNDHLFWBJELKI-OAQYLSRUSA-N 424.497 3.258 0 40 HGAB Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)Nc2ccc3c(c2)OCO3)cc1 3398620 MOQUMZXQAQDRMN-KRWDZBQOSA-N 404.488 3.055 0 40 HGAB C[C@@H](OC(=O)Cc1coc2cc3c(cc12)CCC3)C(=O)NCc1ccc2c(c1)OCO2 3449329 WZMSJTDJWBRFPR-CQSZACIVSA-N 421.449 3.441 0 40 HGAB COc1ccc2[nH]c(=O)c(CN(CCCO)C(=S)Nc3ccc(F)cc3)cc2c1 4133230 FYYDNFRFKNXIHS-UHFFFAOYSA-N 415.490 3.257 0 40 HGAB COc1ccc(OC)c(NC(=O)c2cccc(N3C(=O)[C@H]4[C@H]5CC[C@H](C5)[C@H]4C3=O)c2)c1 4145910 GFNWUJUEMOZKQF-BAEXCKCRSA-N 420.465 3.492 0 40 HGAB CCc1ccccc1N(C(=O)c1ccc(OC)c(OC)c1)[C@@H]1C=CS(=O)(=O)C1 4165566 KQOLXMYLPQZMRJ-QGZVFWFLSA-N 401.484 3.224 0 40 HGAB CC(C)Nc1nnc(S[C@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)s1 4500644 KKSHGXMUWGNQNJ-CYBMUJFWSA-N 407.565 3.314 0 40 HGAB O=C(NCCNC(=O)c1ccc(-c2cccc(Cl)c2Cl)o1)c1cnccn1 4985328 OSPMNGWNUODIEG-UHFFFAOYSA-N 405.241 3.203 0 40 HGAB Cc1ccc(C(=O)CSc2nnc3[nH]c(=O)c(-c4ccc(Cl)cc4)nn23)cc1 5144158 DJHAPKWHDZCKFP-UHFFFAOYSA-N 411.874 3.416 0 40 HGAB Cc1ccc(-n2c(C)c(C)n3c4c(=O)n(CC(C)C)c(=O)n(C)c4nc23)cc1Cl 5251805 XKCQTBDWFXILIL-UHFFFAOYSA-N 413.909 3.373 0 40 HGAB O=C(CN1C(=O)S/C(=C\c2ccccc2)C1=O)Nc1ccc2oc(=O)ccc2c1 5347281 KPUAUIUZVQIPOY-YVLHZVERSA-N 406.419 3.468 0 40 HGAB Cc1c(NC(=O)[C@H](C)OC(=O)c2ccc(Cl)cc2)c(=O)n(-c2ccccc2)n1C 5782581 XJJHPQPXNLRJRS-AWEZNQCLSA-N 413.861 3.322 0 40 HGAB CCOC(=O)c1c(NC(=O)[C@@H]2COc3ccccc3O2)sc2c1CCN(CC)C2 6325993 RCJSIHMNXKPNJZ-INIZCTEOSA-N 416.499 3.081 0 40 HGAB COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cc(F)c(F)cc1Cl 6657726 ZZOMSAPVZZBUGC-UHFFFAOYSA-N 407.804 3.144 0 40 HGAB Cc1c(CCC(=O)N2CCN(c3ccc(F)cc3)CC2)c(=O)oc2cc(O)ccc12 6661014 RRUMQUXFYYVJSI-UHFFFAOYSA-N 410.445 3.228 0 40 HGAB CC1=C(C(N)=O)[C@H](c2ccc(Cl)cc2)n2nc(-c3ccc(N(C)C)cc3)nc2N1 6732429 RRAFCZXBOZMANT-SFHVURJKSA-N 408.893 3.439 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCCc3cccs3)CC2)cc1C 6928320 IBQPOPSSHZLDBA-UHFFFAOYSA-N 406.573 3.221 0 40 HGAB CC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)NCc2ccccc2)cc1Cl 7070321 OXNNMIUKRFTDQR-CQSZACIVSA-N 410.923 3.112 0 40 HGAB CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](C)Nc2ccc3c(c2)CCC3)cc1 7279324 OLJOFHCHMZNOEC-HNNXBMFYSA-N 401.532 3.301 0 40 HGAB CC[C@@H](C)Cc1c(C)sc2nc(SCC(=O)NC[C@@H]3CCCO3)[nH]c(=O)c12 7672479 BTXNQMPLPUOTSP-YPMHNXCESA-N 409.577 3.269 0 40 HGAB COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)Cn1ccccc1=O)CC2 7735243 TVDZSINLLINSBR-QFIPXVFZSA-N 410.495 3.101 0 40 HGAB CCN(c1ccccc1)S(=O)(=O)c1nnc(NC(=O)c2ccccc2OC)s1 8587903 YGTJGTVRGHXCQN-UHFFFAOYSA-N 418.500 3.014 0 40 HGAB O=C1COc2ccc(C(=O)c3ccccc3C(=O)NCc3ccc(F)cc3)cc2N1 8782162 GNSAHOKITHXRCA-UHFFFAOYSA-N 404.397 3.318 0 40 HGAB CC(C)(C)c1ccc([C@]2(C)NC(=O)N(CC(=O)c3ccc4c(c3)OCO4)C2=O)cc1 8947347 DNDMPBIZDNXCAG-QHCPKHFHSA-N 408.454 3.363 0 40 HGAB Cc1ccc(NC(=O)c2ccc(=O)[nH]c2)cc1S(=O)(=O)Nc1ccc(Cl)cc1 9217055 HYQYOXOVPNEEGU-UHFFFAOYSA-N 417.874 3.390 0 40 HGAB Cc1ccc(N2C[C@H](C)Cn3c2nc2c3c(=O)n(Cc3ccccc3)c(=O)n2C)cc1 9282150 CAISBEHPCCMGOH-KRWDZBQOSA-N 415.497 3.041 0 40 HGAB Cc1nnc(NC(=O)CSc2nnc(NC(=O)CCc3ccccc3)s2)s1 9391099 PNCWEPCGACJUDT-UHFFFAOYSA-N 420.545 3.000 0 40 HGAB C[C@H]1CCCN(c2ccc(NC(=O)Cn3nc(-c4cccs4)cc(N)c3=O)cc2)C1 12118016 NXUSNPHYXZUVLQ-HNNXBMFYSA-N 423.542 3.429 0 40 HGAB Cc1nn(-c2ccc(F)cc2)c2[nH]c(=O)c(CNCCc3ccc4c(c3)OCO4)cc12 12186187 FPANEKGSLJLXHX-UHFFFAOYSA-N 420.444 3.222 0 40 HGAB COc1cc(C(=O)N[C@@H]2CCCc3nc(-c4ccncc4)ncc32)cc(OC)c1OC 12327724 BCFKKSQTLYSZFF-GOSISDBHSA-N 420.469 3.372 0 40 HGAB COc1ccc(CC(=O)N2CCC(c3noc(-c4ccc(O)nc4)n3)CC2)cc1C 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COc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 12985979 HUGMRBRZZBJAFR-UHFFFAOYSA-N 414.527 3.223 0 40 HGAB Cc1ccc(S(=O)(=O)N(C)Cc2cc3c(cc2Br)OCCO3)cc1 12998373 QPXKAYQFVPIFOS-UHFFFAOYSA-N 412.305 3.349 0 40 HGAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(OC)c(Cl)c2)cc1 13633181 GSQYNSIOUVRMGS-UHFFFAOYSA-N 412.895 3.007 0 40 HGAB Cc1ccc(C(=O)NCCCN2CCCCC2)cc1NS(=O)(=O)c1ccccc1 13648005 MAYUHDAQOCAUSB-UHFFFAOYSA-N 415.559 3.402 0 40 HGAB CC[C@@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C1 13681226 BMVRKVUFLIZKFZ-CHWSQXEVSA-N 407.363 3.450 0 40 HGAB CC(C)C(NC(=O)C1CCN(S(=O)(=O)CCCc2ccccc2)CC1)C(C)C 13681870 WAMBSBHPZUFSBE-UHFFFAOYSA-N 408.608 3.458 0 40 HGAB COc1cccc(CCC(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1OC 14242580 CCQWZAUWCLNKGP-UHFFFAOYSA-N 423.435 3.399 0 40 HGAB CCS(=O)(=O)N(CC(=O)Nc1ccc(C)c(Cl)c1)c1ccc2c(c1)OCO2 14400475 XURILNMNBSFCFX-UHFFFAOYSA-N 410.879 3.172 0 40 HGAB CCOC(=O)c1cc(NC(=O)COc2ccc(OCC)cc2)cc(C(=O)OCC)c1 15944128 NVMPAZBEOADEGS-UHFFFAOYSA-N 415.442 3.456 0 40 HGAB CC(=O)NC(=S)Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(Cl)c1 17090914 LWOFHYTUTKAIEG-UHFFFAOYSA-N 416.934 3.135 0 40 HGAB O=C(c1ccncc1)N1CCC[C@H](c2cc3nc(C(F)(F)F)ccc3c(=O)[nH]2)C1 19341801 MPWLLDSUVCBHGK-ZDUSSCGKSA-N 402.376 3.357 0 40 HGAB C[C@@H](Cn1cncn1)C(=O)N[C@H](CCc1ccccc1)c1ccc2c(c1)OCCO2 19457840 XPNAKSLQOVKOLN-FXAWDEMLSA-N 406.486 3.176 0 40 HGAB NC(=O)C1(Cc2ccc(-c3ccccc3F)cc2)CCN(C(=O)[C@@H]2CCCO2)CC1 19700502 YGBOHHNWJAHODD-NRFANRHFSA-N 410.489 3.308 0 40 HGAB Nc1nc(-c2ccccc2)nc2nc([C@H]3CCCN(CC(=O)N4CCCC4)C3)ccc12 19743307 ILYGRFHCXLWRDU-SFHVURJKSA-N 416.529 3.076 0 40 HGAB Cc1ccc2c(=O)c(CN3CCN(Cc4ccc5c(c4)OCO5)CC3)c(C)[nH]c2c1C 19793695 JBLNIUZMVUVVAJ-UHFFFAOYSA-N 419.525 3.500 0 40 HGAB CCOc1ccc(CN2CCN(Cc3cc(OC)c(OC)c(OC)c3)CC2)cc1 19868050 KWZWMUYZCAERRB-UHFFFAOYSA-N 400.519 3.429 0 40 HGAB Cc1ccc(N(CC(=O)Nc2ccccc2Br)S(C)(=O)=O)cc1C 19946746 KCRSAZDVUXOFJT-UHFFFAOYSA-N 411.321 3.471 0 40 HGAB Cc1cc(S(=O)(=O)Nc2ccccc2C(=O)NC(C)C)ccc1N1CCCC1=O 20455554 SVFQNPSVTXAHTO-UHFFFAOYSA-N 415.515 3.061 0 40 HGAB Cc1nccn1-c1ccccc1CNC(=O)c1cc(NS(C)(=O)=O)ccc1Cl 20488509 FWKQQYKUHLMKMG-UHFFFAOYSA-N 418.906 3.136 0 40 HGAB COc1ccc(Cl)cc1C(=O)NCCc1ccc(S(=O)(=O)N2CCCC2)cc1 22227083 RCNOKJDVQNKIHJ-UHFFFAOYSA-N 422.934 3.106 0 40 HGAB Cc1ccc(N(CC(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)S(C)(=O)=O)cc1C 22329509 AIQPOZKLRNMFDC-LJQANCHMSA-N 416.543 3.488 0 40 HGAB CN(C)S(=O)(=O)c1ccc(NC(=O)Cc2csc(-c3cccc(F)c3)n2)cc1 23055437 PKMMOEGUEGBUCW-UHFFFAOYSA-N 419.503 3.381 0 40 HGAB COc1ccc(-c2cc(NC(=O)c3ccc(=O)n(C)n3)ccc2OC(F)F)cc1 23269449 ZHWUHVBKZXRYQO-UHFFFAOYSA-N 401.369 3.310 0 40 HGAB CN(C[C@H]1COc2ccccc2O1)C(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1 24663603 KAULWXNBGBPHFG-VIOKTNGOSA-N 420.509 3.237 0 40 HGAB CC(C)CCn1c(S[C@H](C)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)nc2ccccc21 25760123 ALWRDDDTECEJFA-HZPDHXFCSA-N 423.604 3.209 0 40 HGAB CCN(Cc1cccs1)S(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)cc1 32724493 BKQPLRANKBCLPR-UHFFFAOYSA-N 406.451 3.251 0 40 HGAB O=C(CSc1nnc2c(=O)n(-c3ccc(F)cc3)ccn12)c1c[nH]c2ccccc12 35447912 ABDICEFONQRYLY-UHFFFAOYSA-N 419.441 3.476 0 40 HGAB C[C@@H](C(=O)NC1CCCCCC1)N1CCN(C(=O)N(C)Cc2ccccc2)CC1 40135407 YTNHFZZXJIVBIP-IBGZPJMESA-N 400.567 3.084 0 40 HGAB COc1ccccc1C(=O)Nc1c(F)c(C(=O)N2CCc3ccccc3C2)nn1C 41070608 NZLQKAGPLIRWJV-UHFFFAOYSA-N 408.433 3.019 0 40 HGAB Cc1ccc(NC(=O)C(=O)NCC2CCN(C(=O)Oc3ccccc3)CC2)cc1F 43941915 PGQXFKZZHHNKEA-UHFFFAOYSA-N 413.449 3.100 0 40 HGAB CS(=O)(=O)N1C[C@H](C(=O)Nc2ccc(OC3CCCC3)cc2)Oc2ccccc21 44917336 IYABRCGXHUJHAO-HXUWFJFHSA-N 416.499 3.174 0 40 HGAB COc1ccc(NC(=O)[C@H](C)n2nc(-c3ccccc3)cc(NC(C)=O)c2=O)cc1 46079160 WLXOTIWZGFNJOX-AWEZNQCLSA-N 406.442 3.077 0 40 HGAB O=C(CCc1ccccc1)NC1CCN(c2ccc(S(=O)(=O)C(F)F)cc2)CC1 48300058 KMQATWTVGLIDEX-UHFFFAOYSA-N 422.497 3.401 0 40 HGAB C[C@H]1C[C@H](C)CN(Cc2ccccc2CNC(=O)c2ccc3c(c2)OCC(=O)N3)C1 48333003 OUXLBUFJDKKVCT-IRXDYDNUSA-N 407.514 3.425 0 40 HGAB COCCn1c(SCC(=O)Nc2ccc(C)c(C)c2)nc2ccsc2c1=O 57425885 SFAXYGSZEYSPRG-UHFFFAOYSA-N 403.529 3.452 0 40 HGAB CN1C(=O)[C@]2(Nc3ccccc3C(=O)N2c2ccc3c(c2)OCCO3)c2ccccc21 58185340 LTWXXPQDFSIDQE-DEOSSOPVSA-N 413.433 3.360 0 40 HGAB COc1ccccc1NC(=O)Cn1ccn2nc(-c3ccc(Cl)cc3)cc2c1=O 64591299 XSMQCTOTHWDOSR-UHFFFAOYSA-N 408.845 3.464 0 40 HGAB Cc1ccc(N2CN(CC(=O)Nc3ccccc3)S(=O)(=O)c3cccnc32)cc1 65240172 NXQOTJVPNVLZJR-UHFFFAOYSA-N 408.483 3.129 0 40 HGAB O=C(NCCn1cnc(-c2ccc(F)cc2)cc1=O)c1cc(-c2ccc(F)cc2)n[nH]1 70637555 PUYSVBGKAHUXLL-UHFFFAOYSA-N 421.407 3.009 0 40 HGAB CCN(CC)c1ccc2cc(S(=O)(=O)c3ccc(OC)c(OC)c3)c(=O)oc2c1 71775255 LMGLLWBWRBCXHC-UHFFFAOYSA-N 417.483 3.489 0 40 HGAB CCCN1CCC2(CC1)OC[C@@H](C(=O)O)N2C(=O)c1ccc(-c2ccccc2)cc1 71980325 VGOKGGJEMONONW-NRFANRHFSA-N 408.498 3.481 0 40 HGAB CCN1C(=O)[C@](O)([C@H]2CCc3ccccc3C2=O)c2cc(Br)ccc21 72193814 PBYBVYXKGRMOFY-YWZLYKJASA-N 400.272 3.449 0 40 HGAB NC(=O)CCCOC(=O)c1ccc(F)cc1NC(=O)c1cccc(Br)c1 72310832 RVVKGRNWBXSYAT-UHFFFAOYSA-N 423.238 3.263 0 40 HGAB Cc1cc(C)n(C[C@H](C)C(=O)Nc2ccc([C@@H]3NC(=O)c4cccnc4N3C)cc2)n1 72347415 UDQSTYWCRPBKAB-VBKZILBWSA-N 418.501 3.048 0 40 HGAB CNS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(C)c(-c3nc(C)co3)c2)cc1 84190235 FOCVQNHSXJUQAJ-UHFFFAOYSA-N 413.499 3.438 0 40 HGAB CC[C@H](NC(=O)c1ccc2c(c1)nc(C)n2C)[C@@H]1CN(Cc2ccccc2)CCO1 84727085 KVDNYOUQVVIMOU-REWPJTCUSA-N 406.530 3.291 0 40 HGAB C[C@H](NC(=O)[C@@H]1CCCCN1C(=O)c1ccco1)[C@H](O)c1c(F)cccc1Cl 89598461 MHYIRIXGIKETMY-QITLCBANSA-N 408.857 3.305 0 40 HGAB CCC1(O)CCN(C[C@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)CC1 95452713 BAXCPKDIYGKLCO-NRFANRHFSA-N 402.560 3.252 0 40 HGAB CCOC(=O)c1cnc(C)c(C(=O)N[C@H](c2nc(-c3cccnc3)no2)C(C)C)c1 95453125 JXDMVYUEEDBZGM-KRWDZBQOSA-N 409.446 3.139 0 40 HGAB O=C(CN1CCC[C@H](c2ncc[nH]2)C1)NCc1cccc(COCc2ccco2)c1 95962941 FDIWBQRVDSFBEW-FQEVSTJZSA-N 408.502 3.215 0 40 HGAB O=C(NCCc1nc(C(F)(F)F)cs1)c1nn(-c2ccc(F)cc2)cc1O 95964484 KQMPDOOIQNPGNX-UHFFFAOYSA-N 400.357 3.165 0 40 HGAB COc1ccc([C@H]2SCC(=O)Nc3c2c(O)nn3[C@H]2CCOC(C)(C)C2)cc1O 96232204 CLHUUXOTLYYHHH-YVEFUNNKSA-N 419.503 3.208 0 40 HGAB COc1ccc(C(=O)C2=NO[C@H]3C(=O)N(c4cc(Cl)ccc4Cl)C(=O)[C@H]23)cc1 100355425 UTVVXPCCLMBEDA-RHSMWYFYSA-N 419.220 3.129 0 40 HGAB CC1(C)[C@H]2CC[C@@]1(C)C(=O)N(CCCCN1C(=O)[C@@H]3CC[C@@](C)(C1=O)C3(C)C)C2=O 100737464 FTDYMXHCUFFFRQ-TWJSWXTQSA-N 416.562 3.389 0 40 HGAB Cc1cc(NC(=O)[C@@H](C)N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)c(C)cc1Br 102090259 ISXWINLQHYMTPR-BCBCSNLJSA-N 417.303 3.200 0 40 HGAB CCOc1ccc(C(F)(F)F)cc1NC(=O)N1CCN(C[C@H](C)O)[C@@H](CC)C1 107514324 KXPVXTLLUPVLAV-ZFWWWQNUSA-N 403.445 3.413 0 40 HGAB COc1ccccc1CCC1CCN(C(=O)[C@]2(C)CC(=O)N3C=CC=CC3=N2)CC1 141549370 JAKVFAJXRGIUGK-DEOSSOPVSA-N 407.514 3.339 0 40 HGAB COc1ccc2cc(C(=O)Nc3cnn(C[C@@H]4COc5ccccc5O4)c3)[nH]c2c1 206842776 LJDAECNAKNIBOT-QGZVFWFLSA-N 404.426 3.465 0 40 HGAB Cc1ccc(N2CCC(C(=O)Nc3ccccc3C(=O)N3CCOCC3)CC2)cc1 219858133 AYUVINHEYQDODT-UHFFFAOYSA-N 407.514 3.323 0 40 HGAB CCc1ccc(N([C@H](C)C(=O)Nc2ccc(OC)c(OC)c2)S(C)(=O)=O)cc1 220264941 VGEWUADBIWXQTB-CQSZACIVSA-N 406.504 3.059 0 40 HGAB Cc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(=O)N1c2ccccc2C[C@H]1C 222772081 ZPOLEPUIKUMNDR-QGZVFWFLSA-N 414.527 3.136 0 40 HGAB COc1ccc(S(=O)(=O)NCc2ccc3ccccc3c2)cc1C(=O)NC(C)C 222785521 VFOBGIOBADNUDC-UHFFFAOYSA-N 412.511 3.465 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)N[C@@H](C)c1ccccc1 223434981 XZPFIDJOQVLKOW-KRWDZBQOSA-N 416.543 3.290 0 40 HGAB CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccccc1 223661476 FMOUTBOPARBGRK-SFTDATJTSA-N 406.511 3.408 0 40 HGAB Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4[C@H](C)CCC[C@H]4C)nc(O)c32)cc1 253566869 JMCYZXCSIDKDDH-IIAWOOMASA-N 409.490 3.322 0 40 HGAB O=C(CC1(O)CCCCC1)N1CCO[C@@H](c2cccc(Nc3ccc(F)cn3)n2)C1 257212363 CDAYZKUGKDVFRX-GOSISDBHSA-N 414.481 3.345 0 40 HGAB O=C(NS(=O)(=O)c1cccc(Br)c1)c1cccc(-n2cccc2)c1 257316426 VFNQUHPGHAWILS-UHFFFAOYSA-N 405.273 3.359 0 40 HGAB S=C1N[C@H](c2ccccn2)[C@H](c2cccn2C[C@H]2CCCO2)N1C[C@@H]1CCCO1 260922719 RHNMNDDUBMMESE-OVQGTLEDSA-N 412.559 3.214 0 40 HGAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccccc2SC)cc1Cl 408556454 CSBZRIIQCMUGCB-NSHDSACASA-N 414.936 3.376 0 40 HGAB CCCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(OCC)c(Cl)c2)C1 408627252 YVHUWFDIKLQETO-AWEZNQCLSA-N 402.944 3.056 0 40 HGAB COc1ccc(C)cc1N[C]1NC(=O)/C(=C/c2ccc(N3CCOCC3)o2)S1 408803921 UTTPQLKVZVVYOA-UHFFFAOYSA-N 400.480 3.196 0 40 HGAB COC(=O)c1ccc(NC(=O)Nc2ccc3nc(N4C(=O)CCC4=O)sc3c2)cc1 409137320 XCOZUARKSRQJKI-UHFFFAOYSA-N 424.438 3.380 0 40 HGAB COc1ccc(-c2nnc(SCCCCC(=O)N(C)C)n2C[C@@H]2CCCO2)cc1 521604606 NBHILKUOUZKVCU-SFHVURJKSA-N 418.563 3.483 0 40 HGAB O=C(c1cnc2nc(O)nc(O)c2c1)N1CCc2ccccc2[C@@H]1Cc1ccccc1 534205880 FMJNEHCPHBOSCB-FQEVSTJZSA-N 412.449 3.418 0 40 HGAB O=C(c1cnc(OCc2ccccc2)cn1)N1C[C@H](O)C[C@@H]1c1ccc(F)c(F)c1 557212409 XGRMUHRWMOJXDJ-OXQOHEQNSA-N 411.408 3.282 0 40 HGAB Cc1nc(Nc2nc(C)c(C)s2)cc([C@@H]2CCN(C(=O)/C=C/c3cnc[nH]3)C2)n1 585291174 LHFUXIABCNWGRU-MBVDDHJVSA-N 409.519 3.354 0 40 HGAB Cc1ccc(F)c(-c2cc(NC(=O)Cc3csc(S[C@H](C)C(N)=O)n3)n[nH]2)c1 1570098648 LTOVDKFMFUVHFH-SNVBAGLBSA-N 419.507 3.128 0 40 HGAB O=C(CN1CCC[C@@H](NC(=O)C2CC2)C1)Nc1cc(C(F)(F)F)ccc1Cl 2086875336 AUTBVLYEBIADAA-CYBMUJFWSA-N 403.832 3.288 0 40 HGAB Cc1ccc(OCc2nnc(SCC(=O)Nc3cccnc3Cl)n2C)cc1 17082768 KTVUYPOYAPRKPX-UHFFFAOYSA-N 403.895 3.482 0 40 HGAB CC(=O)c1ccc(NC(=O)C2CCC(Cn3c(=O)[nH]c4ccccc4c3=O)CC2)cc1 17044180 ILYJPPLEEQEAEX-UHFFFAOYSA-N 419.481 3.338 0 40 HGAB CNC(=S)N(Cc1ccc2c(c1)OCO2)Cc1cc2c(C)ccc(C)c2[nH]c1=O 878705 UBGVYTAMSUOHDP-UHFFFAOYSA-N 409.511 3.380 0 40 HGAB CCNC(=S)N(Cc1ccco1)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O 895128 QWXWQBBEVFSSNU-UHFFFAOYSA-N 401.488 3.035 0 40 HGAB C[C@H]1Cc2ccccc2N1C(=O)[C@@H](C)OC(=O)c1cc(S(C)(=O)=O)ccc1Cl 11311698 ZYCDWMLYXLUUBK-QWHCGFSZSA-N 421.902 3.267 0 40 HGAB COc1ccc(C(=O)Nc2nc(-c3nnn(-c4ccccc4OC)c3C)ns2)cc1 20597798 WTIHVOXOOMDPOZ-UHFFFAOYSA-N 422.470 3.364 0 40 HGAB CCOc1ccccc1OCC(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1 3549849 NQODLRJSIWEZMX-UHFFFAOYSA-N 406.485 3.116 0 40 HGAB Cc1sc(C(=O)Nc2cccc(Br)c2)cc1S(=O)(=O)N(C)C 6679437 FSJOCFRUSGCFDE-UHFFFAOYSA-N 403.323 3.322 0 40 HGAB CCOc1ccccc1NC(=O)COC(=O)[C@@H]1CC(=O)N([C@@H](C)c2ccccc2)C1 7232330 YNENSLMZKFQZNK-FUHWJXTLSA-N 410.470 3.177 0 40 HGAB O=C(Cn1ncn2nc(-c3ccccc3)cc2c1=O)Nc1ccccc1C(F)(F)F 11666357 PGWMKNMXGPEBOI-UHFFFAOYSA-N 413.359 3.216 0 40 HGAB C[C@H]1CCCN(Cc2csc(NC(=O)C3=NN(c4ccccc4)C(=O)CC3)n2)C1 32869029 RNHSMLJTUCPDLL-HNNXBMFYSA-N 411.531 3.497 0 40 HGAB CN(Cc1ccccc1)C(=O)CSc1ccc(S(=O)(=O)N2CCCCC2)cn1 8721354 MDTJTMCJNBSGND-UHFFFAOYSA-N 419.572 3.007 0 40 HGAB COC(=O)C1=C(C(=O)c2cccs2)[C@@H](c2ccc(C(C)(C)C)cc2)n2nnnc2N1 10232421 XEBICBKBMDAJHA-QGZVFWFLSA-N 423.498 3.357 0 40 HGAB CCN(CC(=O)NCc1ccc(F)cc1)C[C@H](O)COc1ccccc1C(C)C 2641606 AWEZXIWWULFRIG-FQEVSTJZSA-N 402.510 3.327 0 40 HGAB COc1ccccc1N1C(=O)[C@H]2[C@@H](c3ccc(O)cc3)N(c3ccccc3)O[C@H]2C1=O 102709900 CAUKAGFZMJWBNQ-BHDDXSALSA-N 416.433 3.452 0 40 HGAB Cc1ccc(NC(=O)CS[C@H](C)C(=O)N2CCN(c3ccccc3O)CC2)cc1 21873608 HHHYNYDKWDQNAA-QGZVFWFLSA-N 413.543 3.110 0 40 HGAB O=c1c2cnc3nc(-c4ccc(Cl)cc4)nn3c2ccn1CCN1CCCCC1 20674486 NKFOVIVPXAMJLQ-UHFFFAOYSA-N 408.893 3.246 0 40 HGAB Cc1cc(-c2cn(C)nc2[C@H]2CC[C@H](CNC(=O)COc3cccnc3)CC2)on1 100744075 PIFFZRNRPHHUNF-CALCHBBNSA-N 409.490 3.248 0 40 HGAB CC(C)c1ccc(C(=O)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)cc2)cc1 805009 PQXHGBVTBJBJEN-UHFFFAOYSA-N 401.532 3.144 0 40 HGAB COc1cccc(CN(C)C(=O)CNC(=O)Cc2cccc3ccccc23)c1OC 23043593 AWSOKERMCIIZTP-UHFFFAOYSA-N 406.482 3.174 0 40 HGAB O=C(c1ccc(Cn2nnc3ccccc32)cc1)N1CCN(Cc2cccs2)CC1 23737013 IRQKAXMEWUDZIQ-UHFFFAOYSA-N 417.538 3.499 0 40 HGAB CC(C)C[C@@H](c1nnnn1C[C@H]1CCCO1)N1CCN(c2cccc(Cl)c2)CC1 57670496 SFCFQBZJMFLIJW-UXHICEINSA-N 418.973 3.415 0 40 HGAB COc1ccc(C(=O)N2CCN(C(=O)CCc3c[nH]c4ccccc34)CC2)cc1OC 12408646 DYSXSVQIJJQLPL-UHFFFAOYSA-N 421.497 3.102 0 40 HGAB COc1ccccc1NC(=O)COC(=O)CCCCCN1C(=O)c2ccccc2C1=O 111886797 OZGWHDWGMQTAPX-UHFFFAOYSA-N 424.453 3.034 0 40 HGAB Cc1ccc(-c2noc([C@H](C)N3CCN([C@H](C)C(=O)Nc4cc(C)no4)CC3)n2)cc1 26601170 LNRPYPOJAYMYJM-SJORKVTESA-N 424.505 3.047 0 40 HGAB Cc1nnc2c(=O)n(CC(=O)Nc3cccc(C(F)(F)F)c3)c3ccccc3n12 57522885 ADRFXIKBAIHNHP-UHFFFAOYSA-N 401.348 3.010 0 40 HGAB CCOc1ccccc1N1CCN(CC(=O)Nc2ccc(OC(F)F)cc2)CC1 57884493 VZFIUCMPMWTBRF-UHFFFAOYSA-N 405.445 3.447 0 40 HGAB CSc1ncc(Cl)c(C(=O)NCCc2cc(Cl)c3c(c2)OCCO3)n1 12552447 YRJLTPNNLGBNAF-UHFFFAOYSA-N 400.287 3.249 0 40 HGAB COCCn1cnnc1SCC(=O)N1CCc2sccc2[C@H]1c1cccs1 58051707 IGVIGZLVMHJULE-KRWDZBQOSA-N 420.585 3.314 0 40 HGAB Cc1nn(C)c(C)c1[C@H](C)NC(=O)N1CCN(C(=O)CCC2CCCCC2)CC1 58183520 FCIJBXKVLLYWTN-INIZCTEOSA-N 403.571 3.312 0 40 HGAB CN(C)S(=O)(=O)c1ccc(OCC(=O)NC2CCCCCCC2)c(Cl)c1 28208063 IIVWHSCBSCENPY-UHFFFAOYSA-N 402.944 3.198 0 40 HGAB Cc1cnc2c(S(=O)(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)cccc2c1 12526085 IBBGWABAPJGZBP-UHFFFAOYSA-N 408.483 3.142 0 40 HGAB CCc1cccc(C)c1NC(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1 20492832 YJOFGZPAOXXKEH-KRWDZBQOSA-N 408.907 3.377 0 40 HGAB Cc1ccc(S(=O)(=O)c2nc(NCCCN3CCCC3=O)sc2Cl)cc1 3236326 CQOKZOZRYUWGHX-UHFFFAOYSA-N 413.952 3.362 0 40 HGAB O=C(COC(=O)/C=C/c1ccc(C(F)(F)F)cc1)Nc1ccc2[nH]c(=O)[nH]c2c1 23080136 KWGZTOWDAPSMHD-FPYGCLRLSA-N 405.332 3.070 0 40 HGAB CS(=O)(=O)N(Cc1ccccc1)c1ccccc1C(=O)NC[C@H](O)c1ccccc1 408727718 RQVWMAYOTOHGTJ-QFIPXVFZSA-N 424.522 3.116 0 40 HGAB CN(Cc1ccc(Cl)cc1Cl)C(=O)CCn1c(=O)[nH]c(=O)c2ccccc21 12788143 BMFYTYAOXQKXAO-UHFFFAOYSA-N 406.269 3.045 0 40 HGAB Cc1ccc2c(COC(=O)CCN3C(=O)c4ccccc4C3=O)cc(=O)oc2c1C 3427552 FKIYIRZTECKELN-UHFFFAOYSA-N 405.406 3.139 0 40 HGAB C[C@H](C(=O)NCc1ccccc1Cl)N1CCC(C(=O)Nc2ccccc2O)CC1 12910520 BIGXDZNUFPUCKL-OAHLLOKOSA-N 415.921 3.401 0 40 HGAB C[C@H](CCc1ccccc1)NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 12974516 OAAPDYVBIMKUBZ-GOSISDBHSA-N 400.544 3.225 0 40 HGAB O=C(NCC(c1ccccc1)c1ccccc1)c1nn(-c2ccccc2F)nc1CO 8613502 IVIJYSOZMNSTOM-UHFFFAOYSA-N 416.456 3.461 0 40 HGAB CCOC(=O)c1sc(C)c2c(=O)n(CC(=O)C34CC5CC(CC(C5)C3)C4)nnc12 4844151 WZONCJWXEYOUOA-UHFFFAOYSA-N 415.515 3.124 0 40 HGAB CCn1c(COc2ccccc2OC)nnc1S[C@H](C)C(=O)Nc1nccs1 4814644 PBKXNEQUHRACSL-GFCCVEGCSA-N 419.532 3.461 0 40 HGAB COC(=O)COc1cccc(NC(=O)CCNC(=O)c2ccc3ccccc3c2)c1 24953203 CGFPYDZPFHRALB-UHFFFAOYSA-N 406.438 3.150 0 40 HGAB NS(=O)(=O)c1ccc(NC(=O)c2ccc3c(c2)C[C@@H](c2ccccc2)OC3=O)cc1 8951719 SDJHXQXNHOXKIQ-FQEVSTJZSA-N 422.462 3.041 0 40 HGAB CNC(=O)c1ccc(NC(=O)[C@H](NC(=O)C23CC4CC(CC(C4)C2)C3)C(C)C)cc1 8028468 UZUQEEKTKZZABF-XOQVKLMPSA-N 411.546 3.342 0 40 HGAB O=C([C@@H]1CN(C(=O)C2=Cc3ccccc3OC2)c2ccccc2O1)N1CCCCC1 8266178 KWPABVKNLRCBEM-QFIPXVFZSA-N 404.466 3.269 0 40 HGAB CCOc1ccc([C@@H]2c3c(oc4cc(OC)ccc4c3=O)C(=O)N2CCN(C)C)cc1 9328358 ZYFLZKYVSUGSCD-OAQYLSRUSA-N 422.481 3.307 0 40 HGAB COc1ccc(OCC(=O)N2CCN(Cc3ccccc3C(F)(F)F)CC2)cc1 19889425 XPPMSLNXVNOWSA-UHFFFAOYSA-N 408.420 3.437 0 40 HGAB O=C(NC1CC1)[C@@H]1CCCN(C(=O)[C@@H]2CC(c3ccc(Cl)cc3Cl)=NO2)C1 71847833 VRBAYTWDBNRWEL-DIFFPNOSSA-N 410.301 3.004 0 40 HGAB C[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)NC1CCCCCCC1 26537815 CBBQCUHHBUUUOQ-ZDUSSCGKSA-N 417.369 3.345 0 40 HGAB Cc1csc([C@@](O)(CC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)C(F)(F)F)n1 84268123 XKQAFJWPPUPPEW-PBHICJAKSA-N 418.412 3.331 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)NCCC2=CCCCC2)c(C)c1 28207609 BJQISYQRUWLRAQ-UHFFFAOYSA-N 408.564 3.411 0 40 HGAB Cn1cc(NC(=O)C(=O)N[C@@H](c2ccc(Cl)cc2)C2CC2)c(-c2ccncc2)n1 84314224 FRPQUOZHJUBEPB-GOSISDBHSA-N 409.877 3.342 0 40 HGAB Cc1cc(=O)oc2cc(OCC(=O)Nc3ccc(Cn4cncn4)cc3)c(Cl)cc12 72402019 NMACFOYXRWRCQQ-UHFFFAOYSA-N 424.844 3.412 0 40 HGAB Cc1ccc(N(C(=O)Cc2ccc(-n3cccn3)cc2)[C@H]2C=CS(=O)(=O)C2)cc1 79052912 GTKYSVVGMCFASR-NRFANRHFSA-N 407.495 3.067 0 40 HGAB O=S(=O)(c1ccc2c(c1)OCCCO2)N1CC(c2nc3ccccc3s2)C1 79112637 BTYZLDMILYBGOY-UHFFFAOYSA-N 402.497 3.246 0 40 HGAB CC[C@H](C)NC(=O)COc1ccc(N(Cc2ccc(C)cc2)S(C)(=O)=O)cc1 22231485 ZDFHJMCSKNLFND-KRWDZBQOSA-N 404.532 3.255 0 40 HGAB COC(=O)c1ccc(OC(=O)Cc2cc(Cl)c3c(c2)OCCCO3)c(OC)c1 27450044 SXZBUHMAQZPDOX-UHFFFAOYSA-N 406.818 3.445 0 40 HGAB COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)N1CCC2(CCCN2C)CC1 544942625 BLVDYJKZLCQSHY-GOSISDBHSA-N 419.953 3.040 0 40 HGAB CCOC(=O)COc1ccc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)cc1OC 409245496 URSLKJKAXIWAHN-WOJGMQOQSA-N 424.453 3.038 0 40 HGAB Cc1ccc([C@H]2[C@H]3C=C[C@@]4(O3)[C@@H](C(=O)NC3CCCC3)N(C(C)(C)C)C(=O)[C@H]24)cc1 35311182 DXOLGWOCJNTKGM-ZJTKBAOVSA-N 408.542 3.470 0 40 HGAB Cc1ccccc1C(=O)N1CCC(C(=O)NC[C@H](c2cccc(F)c2)N(C)C)CC1 32728641 WUGFIVQLFCDCRB-JOCHJYFZSA-N 411.521 3.405 0 40 HGAB COc1ccc([C@H]2c3cc4c(cc3O[C@H](N3CCOCC3)[C@@H]2C)OCO4)cc1OC 31860828 ZPZCSHSXNVEFPP-ILFDSTAHSA-N 413.470 3.251 0 40 HGAB Cn1cc(C(=O)NC2CCN(CC3(c4cccc(F)c4)CCCC3)CC2)ccc1=O 72393476 NBGXLCCTYHHNIP-UHFFFAOYSA-N 411.521 3.231 0 40 HGAB CCn1c(=O)sc2cc(S(=O)(=O)NCCSc3ccc(C)cc3)ccc21 225687898 PKIQVQNBSDBNNM-UHFFFAOYSA-N 408.570 3.462 0 40 HGAB CC[C@@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)CSCc1ccccc1 223373882 OLQJTCRHLAXSDY-FQEVSTJZSA-N 400.544 3.482 0 40 HGAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(N(C)S(C)(=O)=O)c(C)c1 222474316 ZGXVKMOKHDPFRI-OAHLLOKOSA-N 417.531 3.171 0 40 HGAB CCOC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccc(OC)c(OC)c1 224795588 HJMSTOIVJKVQNW-UHFFFAOYSA-N 413.879 3.116 0 40 HGAB O=C(Cn1cnc2ccc(F)cc2c1=O)Nc1ccc2oc(C(F)(F)F)nc2c1 48367487 AJHLBVUWCCJEDZ-UHFFFAOYSA-N 406.295 3.334 0 40 HGAB COc1ccc(CCNC(=O)CCCN(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1 222567216 LNXFECLYBHDVGY-UHFFFAOYSA-N 418.559 3.217 0 40 HGAB CCOC(=O)CN(c1cccc(C(=O)OCC)c1C)S(=O)(=O)c1ccc(C)cc1 224697032 IWSLIHXQMYTWQD-UHFFFAOYSA-N 419.499 3.239 0 40 HGAB COc1ccccc1[C@H](C)NC(=O)CCCN(c1cccc(C)c1)S(C)(=O)=O 223249907 SWOFFJVAMKXJJP-KRWDZBQOSA-N 404.532 3.427 0 40 HGAB Cc1ccc(Nc2nc3c(c(=O)[nH]2)[C@@H](C(=O)Nc2ccccc2C)CC(=O)N3)cc1 40400367 XXRWOOLWIXWLAH-HNNXBMFYSA-N 403.442 3.195 0 40 HGAB COc1ccc(Cl)cc1NC(=O)Cc1nnc(O)c2cc(-c3cccs3)nn12 96398033 QNLJXNWWLLMHEJ-UHFFFAOYSA-N 415.862 3.402 0 40 HGAB O=C(c1cc2ccccc2oc1=O)N1CCCC[C@H]1c1nnc(C2CCOCC2)o1 583621115 PXVKZFBCELGWHX-KRWDZBQOSA-N 409.442 3.437 0 40 HGAB COc1cccc(C(=O)N2CC[C@H](Oc3ccc(Cl)cc3)[C@@H](CC(N)=O)C2)c1 257287298 PPJDIGARLIFZGZ-KXBFYZLASA-N 402.878 3.134 0 40 HGAB CCN(c1ccc(C(=O)N[C@H](C)c2cc(OC)ccc2OC)cc1)S(=O)(=O)CC 260770443 SOMCTJJEODPINO-OAHLLOKOSA-N 420.531 3.371 0 40 HGAB O=C(N[C@H]1COc2cc(F)cc(F)c21)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1 680307669 XIQTXMZMRJRLHV-AWEZNQCLSA-N 413.829 3.174 0 40 HGAB Cc1ccc(S(=O)(=O)N2CC3(C[C@H](OCc4csc(C)n4)CS3)C2)cc1 575404821 VNPBXWOZCYHGJW-INIZCTEOSA-N 410.586 3.225 0 40 HGAB CN1C(=O)[C@H](S(=O)(=O)c2ccc(F)cc2)[C@H]2C[C@@]1(C)Oc1ccc(Cl)cc12 585148668 WEYDCBFTDCRQKT-KVSKMBFKSA-N 409.866 3.376 0 40 HGAB Cc1cc(C)nc(Nc2nccnc2[C@H]2CCCN2C(=O)/C=C/c2ccccc2)n1 585291412 CJJYBPGWBFDDIL-GNISGLHKSA-N 400.486 4.004 0 40 HGAB COc1ccc2[nH]c3c(c2c1)CCN1C(=O)N(c2cccc4c2OCCO4)C(=O)[C@@]31C 11692304 ZYGLZFGWRIHOGN-HSZRJFAPSA-N 419.437 3.188 0 40 HGAB Cc1nn(-c2ccccc2)c2[nH]c(=O)c(CNc3ccccc3N3CCOCC3)cc12 12118159 XHPROPSLWCYLRO-UHFFFAOYSA-N 415.497 3.471 0 40 HGAB CC(=O)c1c(C)n(CC(=O)N[C@@H](C)Cn2c(=O)oc3ccccc32)c2ccccc12 12142055 HWKGOGYLYJYPRX-AWEZNQCLSA-N 405.454 3.265 0 40 HGAB CCn1c(=S)n(CN2CCN(S(=O)(=O)c3ccccc3)CC2)c2ccccc21 13070365 CPXBXCNUKXGEIP-UHFFFAOYSA-N 416.572 3.156 0 40 HGAB O=C1C[C@H](Sc2nnc3sc4ccccc4n23)C(=O)N1CCc1ccccc1 13638534 LDULXFDVLYBAGG-INIZCTEOSA-N 408.508 3.406 0 40 HGAB CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1nc(-c2ccc(F)cc2)no1 15356843 LFXYWBWAWXGFRZ-UHFFFAOYSA-N 411.437 3.295 0 40 HGAB C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)NCCOc2ccccc2)cc1 16009444 JUEZILMTVYBQFW-QGZVFWFLSA-N 402.516 3.059 0 40 HGAB Cc1cc(C(F)(F)F)c2c([C@@H]3CCCN(C(=O)Cn4nc(C)nc4C)C3)noc2n1 19568730 XVWBDVFVSYRDMO-CYBMUJFWSA-N 422.411 3.165 0 40 HGAB CN(C)C(=O)[C@@]1(Cc2cccc(-c3cccnc3)c2)CN(Cc2cccnc2)CCO1 19580910 ZWOZENGNSJIBPD-RUZDIDTESA-N 416.525 3.046 0 40 HGAB CCOc1ccccc1-c1nnc(NC(=O)c2ccnc(N3CCN(C)CC3)c2)s1 19654675 GGOADTZYBKRYEU-UHFFFAOYSA-N 424.530 3.003 0 40 HGAB Cc1ncc(C(=O)NCc2ccccc2)c([C@H]2CCCCN2C(=O)COC(C)C)n1 19766911 IRGAYCHNKZPRAX-HXUWFJFHSA-N 410.518 3.194 0 40 HGAB Cc1cc(O)n2nc([C@H]3CCCN(C(=O)c4c(-c5cccnc5)noc4C)C3)cc2n1 12134534 ACORFANUMQBNFR-INIZCTEOSA-N 418.457 3.122 0 40 HGAB COC(=O)c1ccc([C@H]2SCC(=O)N2CCc2ccc(OC)c(OC)c2)cc1 19898671 MXSPNMSJBFXPFP-HXUWFJFHSA-N 401.484 3.307 0 40 HGAB Cc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N[C@H](C)[C@H]3CCCO3)c2)cc1 27913263 RQZJFQZEZJOUIN-OXQOHEQNSA-N 402.516 3.402 0 40 HGAB CC(=O)N1CCC[C@@]2(C)[C@@H]1CCCCN2CC1(O)CCN(c2ccccc2F)CC1 2037846745 WYNVCGIRCHQXLP-GOTSBHOMSA-N 417.569 3.413 0 40 HGAB COc1ccc([C@H]2Nc3ccccc3C(=O)N2NS(=O)(=O)c2ccccc2)cc1 1441634 DZNWJLRKOLMYFS-FQEVSTJZSA-N 409.467 3.155 0 40 HGAB COc1ccc(CCNC(=O)CN2C(=O)C[C@@H](C)Sc3ccccc32)cc1OC 4162756 OEFDZEMADFTVIV-OAHLLOKOSA-N 414.527 3.280 0 40 HGAB COc1cc(OC)cc(C(=O)Oc2coc(CSc3nccc(C)n3)cc2=O)c1 4377225 BSSHVNGLSNVOIO-UHFFFAOYSA-N 414.439 3.267 0 40 HGAB Cc1cc(C)nc(SCc2c(C(=O)NCc3ccco3)nnn2-c2ccccc2)n1 35590709 FHPPKWXINSQBGT-UHFFFAOYSA-N 420.498 3.489 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)NCCc1ccccc1 20062444 FFRSHLIOMDPQHB-UHFFFAOYSA-N 416.543 3.232 0 40 HGAB C[C@@H](Cc1ccccc1Cl)NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 40112125 LYZSCPJVUFDPIW-INIZCTEOSA-N 420.962 3.488 0 40 HGAB C[C@@](O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C(F)(F)F)cc1 1391964 RGKMNDJXEGGASY-MRXNPFEDSA-N 405.369 3.008 0 40 HGAB CC[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)Nc2ccccc2C(C)=O)C1=O 3595288 AOKFQNXMQWZWSF-NRFANRHFSA-N 413.861 3.338 0 40 HGAB C[C@H]1C[C@H](C)CN(C(=O)CSc2nc3sc4c(c3c(=O)n2C)CCCC4)C1 3601091 XENMPQYIRCWZAU-STQMWFEESA-N 405.589 3.470 0 40 HGAB CCOC(=O)c1ccc(CN2C(=O)S[C@@H](Nc3ccccc3C(=O)O)C2=O)cc1 4271903 QQJYRTPQEOQLDR-MRXNPFEDSA-N 414.439 3.195 0 40 HGAB CC(C)CC(=O)Nc1ccc(C(=O)CN2C(=O)N[C@](C)(c3ccccc3)C2=O)cc1 4288990 KMOQIKDABCHZFE-HSZRJFAPSA-N 407.470 3.321 0 40 HGAB Cc1ccc([C@H](C(=O)NCc2ccc(F)cc2)N(C(=O)c2csnn2)C2CC2)o1 4411610 VJBIGPZFKNZMHK-GOSISDBHSA-N 414.462 3.241 0 40 HGAB CCOC(=O)C1=NN[C@@H](C(=O)c2ccc(Br)cc2)[C@@H]1c1ccccc1 4954720 JBQOKHWOJIVBDI-JKSUJKDBSA-N 401.260 3.307 0 40 HGAB CC(C)CSc1nc2ccccc2c(=O)n1CCc1ccc(S(N)(=O)=O)cc1 5130120 XJWNCWQQIZFXEV-UHFFFAOYSA-N 417.556 3.035 0 40 HGAB CC[C@H](C(=O)N1CCN(c2cccc(C)c2C)CC1)n1cnc2ccccc2c1=O 5322979 YJSIUQDWVGFRGX-OAQYLSRUSA-N 404.514 3.313 0 40 HGAB COc1ccc(-c2nnc(SCCN3C(=O)c4ccccc4C3=O)o2)c(OC)c1 5391971 JZXXECBJWIRWIB-UHFFFAOYSA-N 411.439 3.142 0 40 HGAB Cc1cc2oc(=O)cc(COC(=O)c3ccccc3NS(C)(=O)=O)c2cc1C 5574316 KLBWIAGOXZQIKV-UHFFFAOYSA-N 401.440 3.138 0 40 HGAB CCOc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc(OC)cc2)cc1OC 6052627 CJXBVCMKPAYJND-HXUWFJFHSA-N 411.458 3.369 0 40 HGAB C[C@@H](NC(=O)c1ccccc1NC(=O)COc1ccc(C(N)=O)cc1)c1ccccc1 6127104 GESIWZBBKKIUEN-MRXNPFEDSA-N 417.465 3.294 0 40 HGAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cccc3ccccc23)cc1OC 6260131 VMFHLJZVNSOZLJ-AWEZNQCLSA-N 414.483 3.163 0 40 HGAB Cc1ccc(S(=O)(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)cc1C 6317104 LHHIQPIIKNFHHP-UHFFFAOYSA-N 408.545 3.279 0 40 HGAB Cc1ccc(Cn2c(SCC(=O)Nc3ccccc3)nc3nccnc3c2=O)cc1 6818709 MATFUZDBIJUSTI-UHFFFAOYSA-N 417.494 3.274 0 40 HGAB O=C(CSc1nccn(-c2ccc(F)cc2)c1=O)NCc1ccccc1Cl 6915259 FVOMDGOSPUOJSA-UHFFFAOYSA-N 403.866 3.434 0 40 HGAB Cc1nc(-c2ccc(NC(=O)Cn3nnc(COc4ccccc4)n3)cc2)cs1 7445110 WHPKYLZYCFODFX-UHFFFAOYSA-N 406.471 3.323 0 40 HGAB COc1ccc(OC)c(C(=O)N(C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)c1 7525584 RKXKUWURJODSPK-UHFFFAOYSA-N 412.364 3.313 0 40 HGAB CC(C)NC(=O)NC(=O)[C@H](C)Sc1nnc(-c2c[nH]c3ccccc23)n1C1CC1 7872861 REHKJRZRPXLZQS-LBPRGKRZSA-N 412.519 3.476 0 40 HGAB CC[C@H](OC(=O)[C@@H]1CC(=O)N(c2cc(OC)ccc2OC)C1)C(=O)c1ccccc1 7881563 XVEQFVIUTFWMKX-APWZRJJASA-N 411.454 3.261 0 40 HGAB CCOc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3c(C)cccc3C)C2)cc1 8040037 UZUHRYUWBHYWQN-KRWDZBQOSA-N 410.470 3.237 0 40 HGAB NC(=O)NC(=O)[C@H](Sc1nnc(C2CC2)n1Cc1ccccc1)c1ccccc1 8156779 ZUPHHIPFFFGYEA-QGZVFWFLSA-N 407.499 3.232 0 40 HGAB O=C(Nc1nccs1)[C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(CC2CCCCC2)nn1 8298403 SNHSIGAJKVHDOP-QRQLOZEOSA-N 414.579 3.207 0 40 HGAB biogenic,in-vitro CCCCNC(=O)Cc1csc(SCC(=O)Nc2ccc(NC(C)=O)cc2)n1 8850380 XOTZASIDCPOFGL-UHFFFAOYSA-N 420.560 3.291 0 40 HGAB CC(C)(C)C(=O)[C@H]1[C@H]2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]2[C@H]2C=CC=NN21 9012692 VGVXLUAWOCBZCS-LVQVYYBASA-N 420.296 3.323 0 40 HGAB CC(=O)NCc1ccc(-c2csc(NC(=O)Cc3ccc4c(c3)OCCO4)n2)cc1 9114098 YTWGLGPXIOAKLK-UHFFFAOYSA-N 423.494 3.399 0 40 HGAB O=C(NCc1ccc(CN2CCOCC2)cc1)c1ccc(CN2CCCCC2)cc1 9887216 UBWSOIHNJYBUGI-UHFFFAOYSA-N 407.558 3.435 0 40 HGAB O=C(c1ccc(Br)cc1)N(CCc1ccccc1)[C@H]1CCS(=O)(=O)C1 10212909 GRNMMOFTTLIKNN-SFHVURJKSA-N 422.344 3.321 0 40 HGAB CN(C)[C@H](CNC(=O)c1ccc(Cn2nnc3ccccc32)cc1)Cc1ccccc1 11603652 RRBTVUPDKDIOOS-QFIPXVFZSA-N 413.525 3.382 0 40 HGAB Cc1csc([C@H](Cc2ccsc2)NC(=O)CCCN2C(=O)NC(C)(C)C2=O)n1 12227786 XKXAFOSORSBPBX-AWEZNQCLSA-N 420.560 3.024 0 40 HGAB COC(=O)c1c(N[C@@]2(C(F)(F)F)N=C3SCCN3C2=O)sc2c1CCCC2 12417738 ZRFZGVOZDGBFLP-OAHLLOKOSA-N 419.450 3.029 0 40 HGAB COc1ccc(C2=NN(C(=O)CCC(=O)O)[C@@H](c3ccc4nccnc4c3)C2)cc1 12420874 FNPSQJCTYUWJFH-HXUWFJFHSA-N 404.426 3.181 0 40 HGAB Cc1cc(NC(=O)COc2ccc(Cl)c(S(=O)(=O)Nc3ccccc3)c2)no1 12446697 IQYYJZURJRSOPP-UHFFFAOYSA-N 421.862 3.455 0 40 HGAB C[C@H](Sc1nc2ccccc2n1C1CCCCC1)C(=O)N[C@H]1CCS(=O)(=O)C1 12506943 YIHYAQTVVZOWFW-GJZGRUSLSA-N 421.588 3.325 0 40 HGAB O=C(Nn1cnc2ccccc21)c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 12548247 FUFSFJCZJKVVKL-UHFFFAOYSA-N 410.430 3.360 0 40 HGAB CNC(=O)c1ccc(NC(=O)[C@@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)cc1 12806078 NUFFKUTVPGVUDA-ZDCBYCKXSA-N 409.530 3.192 0 40 HGAB CC(C)[C@H](NS(=O)(=O)c1cccs1)C(=O)Nc1cnc2c(cnn2C(C)C)c1 12977168 NHRPJTQHLJFVRN-INIZCTEOSA-N 421.548 3.015 0 40 HGAB O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)NCc1ccc2c(c1)OCO2 13108675 UCIUAMPSQUFEFR-UHFFFAOYSA-N 419.462 3.170 0 40 HGAB CC[C@@H](C(=O)Nc1ccc(NC(C)=O)cc1)N(c1ccc(C)c(C)c1)S(C)(=O)=O 13716572 ZPGYIUMJMVVWOZ-FQEVSTJZSA-N 417.531 3.445 0 40 HGAB COc1ccc([C@H](CNC(=O)C(=O)Nc2cccnc2)c2c[nH]c3ccccc23)cc1 13731935 YTHDBDWWLWRVMD-FQEVSTJZSA-N 414.465 3.458 0 40 HGAB Cc1cc2nc(COC(=O)c3ccc(NC(=O)c4cccs4)cc3)cc(=O)n2o1 15772148 UFCFGLQHPIQQIF-UHFFFAOYSA-N 409.423 3.267 0 40 HGAB CC(=O)Nc1nnc(SCc2cc(=O)c(OC(=O)c3ccc(F)cc3)co2)s1 16047734 KCSOGEXSGQMUMT-UHFFFAOYSA-N 421.431 3.100 0 40 HGAB CC(=O)NCCc1ccc(C(=O)COC(=O)c2ccc(Br)s2)s1 16810969 QZWADMBOVMHXCY-UHFFFAOYSA-N 416.318 3.290 0 40 HGAB COc1ccc2c(c1)OC1(CCN(C(=O)[C@H](C)n3nnc4ccccc43)CC1)CC2=O 19078137 IVISTCCVOWPWCV-HNNXBMFYSA-N 420.469 3.028 0 40 HGAB Cc1nnnn1-c1ccc(CC(=O)N[C@H](c2ccc3c(c2)OCCCO3)C(C)C)cc1 19288435 KITDMDRQXUXSCQ-QHCPKHFHSA-N 421.501 3.188 0 40 HGAB FC(F)(F)c1cccc(CN2CCC[C@@H](Cn3nnc(-c4cnccn4)n3)C2)c1 19293311 AEMMKQMNTVMEPL-OAHLLOKOSA-N 403.412 3.061 0 40 HGAB O=S(=O)(CCOc1ccccc1)N1CCC[C@@H]1c1nnc(-c2ccsc2)o1 19373544 SWSCPEBVVPDXFZ-MRXNPFEDSA-N 405.501 3.344 0 40 HGAB COc1ccccc1CN(Cc1cccnc1)S(=O)(=O)c1cnn(C(F)F)c1C 19553041 RNDQGKHJLSICBX-UHFFFAOYSA-N 422.457 3.381 0 40 HGAB Cc1c(C)n(C)c2ccc(C(=O)N3CCO[C@@H](c4nc(-c5cccnc5)no4)C3)cc12 19554613 SMENOKJNRCMYNS-HXUWFJFHSA-N 417.469 3.454 0 40 HGAB Cc1nc([C@H]2CCCN2C(=O)c2cccnc2)ncc1C(=O)NCc1ccccc1 19754470 WGEKIUXDDGENOM-HXUWFJFHSA-N 401.470 3.087 0 40 HGAB CNc1cc(CN(C)C(=O)c2cccc3cccnc23)nc([C@H]2CCCN2C(C)=O)n1 19759847 ZQTDSPWDRMOPPM-LJQANCHMSA-N 418.501 3.022 0 40 HGAB CS(=O)(=O)N(CC(=O)N[C@H]1CCCc2ccccc21)Cc1ccc(Cl)cc1 20014243 DLEOPRQKHXXBIU-IBGZPJMESA-N 406.935 3.295 0 40 HGAB COc1ccc([C@@H](C)NC(=O)c2cnc3sc4c(n3c2=O)CCCC4)cc1OC 20030120 DESCYAOZLDAXLH-GFCCVEGCSA-N 413.499 3.143 0 40 HGAB CS(=O)(=O)N(CC(=O)NCc1ccc(F)cc1)c1cc(Cl)cc(Cl)c1 20110984 FEKQDCRPMSFGNX-UHFFFAOYSA-N 405.278 3.215 0 40 HGAB CC[C@@H](NC(=O)[C@H](C)N(c1ccc(OC)cc1)S(C)(=O)=O)c1ccc(OC)cc1 20457954 MCXDHTOIROCRDI-MGPUTAFESA-N 420.531 3.126 0 40 HGAB COc1ccc([C@@H]2N=C3NCN(C(C)C)CN3c3nc4ccccc4n32)cc1OC 20638603 CKHZVRFPNZQSAA-HXUWFJFHSA-N 406.490 3.005 0 40 HGAB Cc1ccccc1OC[C@H](C)NC(=O)CN(c1ccc(C(C)C)cc1)S(C)(=O)=O 22330276 YTYJQCQKBYQTHK-SFHVURJKSA-N 418.559 3.468 0 40 HGAB COc1ccc(N(CC(=O)NCCC(C)C)S(=O)(=O)c2ccc(F)cc2)cc1 22349702 KYTFUNSOOAHHLB-UHFFFAOYSA-N 408.495 3.192 0 40 HGAB CCOc1cccc(CNC(=O)CCCN(c2ccc(F)cc2)S(C)(=O)=O)c1 22532235 PDZOPMBTLCMFOU-UHFFFAOYSA-N 408.495 3.087 0 40 HGAB NC(=O)[C@H]1Cc2ccccc2CN1Cc1nc(-c2cccc(C(F)(F)F)c2)no1 23078218 QCBOFUKPJXAHFL-MRXNPFEDSA-N 402.376 3.168 0 40 HGAB CCOc1ccc(Oc2ccc(NC(=O)[C@H]3CCCN(S(C)(=O)=O)C3)cc2)cc1 24764536 PAGVOUPEOAERLY-INIZCTEOSA-N 418.515 3.488 0 40 HGAB O=C(c1ccccc1C(F)(F)F)N1CCN(c2nccc(C(F)(F)F)n2)CC1 25571860 JDYLQFCGUJXGPY-UHFFFAOYSA-N 404.314 3.477 0 40 HGAB C[C@H](OC(=O)c1cc2sc3ccccc3c2s1)C(=O)N1CCC[C@@H](C(N)=O)C1 27514790 LRZTVUVMTZGANT-NWDGAFQWSA-N 416.524 3.385 0 40 HGAB COc1ccc([C@H](CNC(=O)[C@@H](C)Sc2ccccc2)N2CCOCC2)cc1 27669957 JDUHDFYUQRGNQL-UTKZUKDTSA-N 400.544 3.366 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCSc3ccccc3)C2)s1 27806104 IXYQDQBHXBDMPW-MRXNPFEDSA-N 424.613 3.366 0 40 HGAB Cc1cc(C(=O)N2CCN(Cc3nc(N)c4ccccc4n3)CC2)c2ccccc2n1 29863999 DVUTVIKIOURXDB-UHFFFAOYSA-N 412.497 3.027 0 40 HGAB COc1ccc(Nc2nc(N3CCN(c4ccccc4)CC3)c3cnn(C)c3n2)cc1 32093431 VSZBNWQABZFXBX-UHFFFAOYSA-N 415.501 3.442 0 40 HGAB CS(=O)(=O)Nc1nc2ccc(C(=O)Nc3cc(F)c(F)c(F)c3)cc2s1 32101885 LAMRTTPQJYKCOO-UHFFFAOYSA-N 401.391 3.337 0 40 HGAB CSc1cccc(N2C[C@H](C(=O)NCCCN3CCc4ccccc4C3)CC2=O)c1 32400608 XASKRNFEZXDLOV-HXUWFJFHSA-N 423.582 3.326 0 40 HGAB COc1cc(C(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)ccc1OC(C)C 32748276 IXRRALZYWMZVSL-UHFFFAOYSA-N 410.514 3.375 0 40 HGAB CCN(Cc1ccccc1)C(=O)[C@@H](C)N1CCN(c2cc(C)nc(C(C)C)n2)CC1 32797353 JNNLAMDZSZLIAR-HXUWFJFHSA-N 409.578 3.468 0 40 HGAB COc1cccc(NC(=O)c2nnn(Cc3nc(-c4ccc(C)cc4)oc3C)c2N)c1 33291769 PUYUSKKXTNGLES-UHFFFAOYSA-N 418.457 3.441 0 40 HGAB O=C(CN(C(=O)c1csnn1)c1cccc(Cl)c1)NCc1ccc(F)cc1 35312142 ACZWFYYCYWWIHF-UHFFFAOYSA-N 404.854 3.294 0 40 HGAB C[C@H](c1ccccc1)N1C(=O)[C@@H](CCC(=O)Nc2ccc3c(c2)OCCO3)N=C1O 36593296 MNNANYTVBNVIPD-RHSMWYFYSA-N 409.442 3.063 0 40 HGAB CC(C)Cn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(Cl)cc2F)c1=O 40478590 HPIXFELIGVCNCD-UHFFFAOYSA-N 403.841 3.250 0 40 HGAB C[C@H]1Oc2ccc(NC(=O)COc3ccc(Br)cc3)cc2N(C)C1=O 41014359 BOBJRXBYDKOTIJ-LLVKDONJSA-N 405.248 3.210 0 40 HGAB Cc1ccccc1CN(CCCn1ccnc1)Cc1ccc2c(c1)n(C)c(=O)n2C 43277699 KIEKGYIOMHWPFV-UHFFFAOYSA-N 403.530 3.474 0 40 HGAB O=S(=O)(NCc1cccc(CN2CCOCC2)c1)c1cc(Cl)ccc1Cl 47266653 DOBFYWGSIXWLKD-UHFFFAOYSA-N 415.342 3.304 0 40 HGAB CN1CCN(CCNC(=O)c2cc(C3CC3)nn2C(C)(C)C)[C@@H](c2ccccc2)C1 48276461 TWMKFUHKFHXIIA-JOCHJYFZSA-N 409.578 3.234 0 40 HGAB COc1cccc(-c2nnc(S(=O)(=O)Cc3csc(C(C)(C)C)n3)n2C)c1 48365646 RMSMDVIGHILYCK-UHFFFAOYSA-N 406.533 3.219 0 40 HGAB COc1cccc(N2CCN(C(=O)c3nnn(-c4ccc(Cl)cc4)c3C)CC2)c1 51317498 RLLYIDHXEMBBDF-UHFFFAOYSA-N 411.893 3.200 0 40 HGAB CCOc1ccc([C@H]2NC(=O)NC(CN(CC)Cc3ccccc3)=C2C(=O)OC)cc1 57415325 FXXYCVHHYBWJRP-JOCHJYFZSA-N 423.513 3.388 0 40 HGAB O=C(CCCn1nnc(-c2ccccc2)n1)NC[C@@H](c1ccccc1)N1CCCC1 58017670 KZMNGVAMVCDTNW-NRFANRHFSA-N 404.518 3.074 0 40 HGAB Cc1cccc(N2CCN(CC(=O)Nc3ccc4c(c3)OC(F)(F)O4)CC2)c1C 58160427 YWSMWKZRCHEYBS-UHFFFAOYSA-N 403.429 3.386 0 40 HGAB Cc1nc([C@@H]2CCCN(C(=O)C3CCC3)C2)ncc1C(=O)NCc1ccc(F)cc1 72348367 DSNHHXMLMHDXRZ-GOSISDBHSA-N 410.493 3.360 0 40 HGAB Cc1nc2c(c(Nc3cnccn3)n1)CCN(CC(=O)N(C(C)C)C1CCCCC1)C2 72380784 IKRXPMAJBHWPIB-UHFFFAOYSA-N 423.565 3.246 0 40 HGAB COc1ncc([C@]2(O)CC[C@H]3CN(Cc4ccc(OC(C)C)cc4)C[C@H]32)c(OC)n1 72392607 VSHLWBGZRRDRIU-XTQVGHSUSA-N 413.518 3.011 0 40 HGAB CC(=O)NCc1ccc(C(=O)N[C@H]2CCCC[C@H]2CNC(=O)OC(C)(C)C)s1 78877538 PRDUFIOQCZGXDB-HOCLYGCPSA-N 409.552 3.198 0 40 HGAB COC(=O)CCN(C[C@@H]1CCCO1)c1cc(C(F)(F)F)nc(-c2cccnc2)n1 83891234 ZXGNTPUMMYLFIA-AWEZNQCLSA-N 410.396 3.106 0 40 HGAB CC(C)OC(=O)[C@H](C)CNC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl 84621813 ONOMAMABXUBCMP-WBMJQRKESA-N 415.317 3.302 0 40 HGAB NC(=O)[C@H]1CCCN1C1CCN(Cc2cc(Br)ccc2Cl)CC1 89768232 HGLHRJRYZNSWIB-MRXNPFEDSA-N 400.748 3.017 0 40 HGAB CN1CCCN(C(=O)c2nc(-c3cn(Cc4ccccc4)cn3)n3ccccc23)CC1 96155008 QWMRWZJXZQNLJB-UHFFFAOYSA-N 414.513 3.024 0 40 HGAB O=C1CCc2ccc(OCC(=O)N3CCC(O)(c4ccc(Cl)cc4)CC3)cc2N1 96223598 XITWSWMMZIVKHG-UHFFFAOYSA-N 414.889 3.114 0 40 HGAB Cc1ccc([C@@H](CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)OCCO)cc1 96338096 GUINIGLVHWNFRC-QGZVFWFLSA-N 403.422 3.042 0 40 HGAB Cc1nn(-c2nc3ccccc3o2)c(O)c1[C@H]1CC(=O)N(CCc2ccccc2)C1=O 101983849 BNQWBLIAYUDBTE-MRXNPFEDSA-N 416.437 3.113 0 40 HGAB O=C(c1cnn(-c2ccccc2)n1)N1CCS[C@H](c2ccc3c(c2)OCO3)CC1 219168185 FSUQCLGMCZBJGK-FQEVSTJZSA-N 408.483 3.316 0 40 HGAB CC[C@@H](C(=O)N1CCc2ccccc2C1)N(c1cc(C)ccc1C)S(C)(=O)=O 220533789 SOTRYIYWJLPVRD-FQEVSTJZSA-N 400.544 3.433 0 40 HGAB CC[C@H](C(=O)NCCOc1ccc(C)cc1)N(c1cc(C)ccc1C)S(C)(=O)=O 220549053 URHCWAIDYOXQAZ-HXUWFJFHSA-N 418.559 3.352 0 40 HGAB CC[C@@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(OC)c(OC)c1 223097356 HVSIVNWLGUEHPS-FQEVSTJZSA-N 412.530 3.498 0 40 HGAB COC(=O)c1ccc(NC[C@H]2CCCO2)c(S(=O)(=O)Nc2ccc(C)cc2)c1 223411292 IDEDNTAYRNENDC-QGZVFWFLSA-N 404.488 3.173 0 40 HGAB CCCC[C@@H](CC)CNC(=O)CN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 223685398 FYPOLFYYTYUEDD-CQSZACIVSA-N 404.960 3.447 0 40 HGAB S=C1N[C@H](c2ccccn2)[C@H](c2ccc[nH]2)N1c1ccc(N2CCOCC2)cc1 223920893 AYVLXNQGIMOYHF-RTWAWAEBSA-N 405.527 3.423 0 40 HGAB O=C(c1cnn(-c2ccc(Cl)cc2)c1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 224057814 DDANIZZHMUVFQP-UHFFFAOYSA-N 424.888 3.212 0 40 HGAB CN(Cc1ccc(C(=O)NC[C@@H]2CCCO2)cc1)S(=O)(=O)c1ccc(Cl)cc1 224432363 RCEVLRJXJVHISC-SFHVURJKSA-N 422.934 3.070 0 40 HGAB CS(=O)(=O)N(CC(=O)Nc1ccc(N2CCCCC2)cc1)c1ccccc1F 224947048 ZKMSIHDLSVQHSZ-UHFFFAOYSA-N 405.495 3.221 0 40 HGAB Cc1ccc(NC(=O)CCc2ccc(S(C)(=O)=O)cc2)cc1N1CCCCC1=O 225615192 UXKWHRJLCFJABW-UHFFFAOYSA-N 414.527 3.487 0 40 HGAB CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2-c2ccc(C(=O)O)o2)cc1 226353473 WLVUIBOXXNPULL-UHFFFAOYSA-N 400.412 3.404 0 40 HGAB O=C(CCCN1CCCC1=O)NC[C@H]1CC[C@H](c2ncncc2-c2ccccn2)CC1 257255731 KIQTUPMARTYEPB-WGSAOQKQSA-N 421.545 3.331 0 40 HGAB Cc1ccc(C)c(N(CC(=O)N[C@H](C)c2ccc3c(c2)CCC3)S(C)(=O)=O)c1 260937268 PVPSDHVFARBORZ-QGZVFWFLSA-N 400.544 3.436 0 40 HGAB Cc1nc(C(=O)N2CCO[C@H](c3nnn4cc(-c5cccs5)ccc34)C2)cs1 306129408 ICDZSSYAODSROD-INIZCTEOSA-N 411.512 3.436 0 40 HGAB Cc1cc(Cl)ccc1N(CC(=O)NC12CC3CC(CC(C3)C1)C2)S(C)(=O)=O 408623735 YTZNNVIBAONBNN-UHFFFAOYSA-N 410.967 3.499 0 40 HGAB CC(C)c1ccc(NC(=O)[C@@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1 408702222 AGYNJYXFOPHKNY-OAHLLOKOSA-N 418.515 3.374 0 40 HGAB COc1cc(OC)cc(C(=O)N(C)Cc2nnc(-c3ccc(OC)c(OC)c3)o2)c1 408714942 YXUDHJOIPCRALU-UHFFFAOYSA-N 413.430 3.043 0 40 HGAB Cn1nc(-c2ccc(F)cc2)cc1C(=O)NC[C@](O)(c1ccccc1)C1CCOCC1 575611315 DVDHWZZECUFGFT-DEOSSOPVSA-N 423.488 3.270 0 40 HGAB Cc1ccc2c(c1)CC[C@@H](C(=O)NCCCNC(=O)[C@@H]1CCc3cc(C)ccc3O1)O2 581658936 SWVPLIXDZOLUMQ-GOTSBHOMSA-N 422.525 3.013 0 40 HGAB FC(F)(F)c1cccnc1N1CC[C@@H](COc2ccc3nnc(C4CC4)n3n2)C1 1888890264 XZNXWZGHSADVIM-GFCCVEGCSA-N 404.396 3.321 0 40 HGAB CCCCC(=O)N1CCC(COc2ccc(F)cc2)(CC(=O)N2CCOCC2)CC1 2037905366 QEBHQISSFUHMAF-UHFFFAOYSA-N 420.525 3.252 0 40 HGAB CCC(=O)N1N=C(c2ccc(NS(C)(=O)=O)cc2)C[C@@H]1c1ccc2nccnc2c1 814420 UMPDKFIVMKTJJE-HXUWFJFHSA-N 423.498 3.089 0 40 HGAB CCCC[C@@H](NC(=O)COc1ccc2c3c(c(=O)oc2c1C)CCCC3)C(=O)O 2419276 UGQNKKSFSAAQPD-QGZVFWFLSA-N 401.459 3.119 0 40 HGAB O=C(OCc1nnc(-c2ccc(Cl)cc2)o1)c1ccc(=O)n(Cc2ccccc2)n1 2643024 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6364208 YMIQUYOTSNERSH-UHFFFAOYSA-N 410.543 3.118 0 40 HGAB Cc1cccc(C)c1NC(=O)CNC(=O)C1CCN(C(=O)Nc2ccccc2)CC1 6541266 HENAYKFULAOBRE-UHFFFAOYSA-N 408.502 3.302 0 40 HGAB Cc1nn(Cc2ccccc2Cl)c(C)c1NC(=O)[C@@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C(=O)O 6576671 ZGVJDVGMFDKWHA-HZMVEIRTSA-N 403.866 3.018 0 40 HGAB O=C(CSc1nnc(NCc2ccco2)s1)N1CCN(c2ccccc2)CC1 7161780 RMGQTCFWSJXFMR-UHFFFAOYSA-N 415.544 3.184 0 40 HGAB COC(=O)c1sc2ccccc2c1S(=O)(=O)Nc1ccc(NC(C)=O)cc1 7428364 XYDUJBUIBDTYMB-UHFFFAOYSA-N 404.469 3.447 0 40 HGAB CC(C)(C)OC(=O)NCc1ccc(C(=O)Nc2cccc(S(C)(=O)=O)c2)cc1 7945511 QFTAHTAPZDADIY-UHFFFAOYSA-N 404.488 3.367 0 40 HGAB Cc1cc(=O)c(C(=O)NCc2ccccc2CN2CCCC2)nn1-c1ccccc1 8013106 KKJDEMOTPVIPQO-UHFFFAOYSA-N 402.498 3.067 0 40 HGAB CCOc1ccccc1N1C[C@H](C(=O)OCC(=O)Nc2cc(C)cc(C)c2)CC1=O 8039801 RNQWJRXQCNDFQE-QGZVFWFLSA-N 410.470 3.237 0 40 HGAB Cc1nn(C)c2nc(-c3ccc(Cl)cc3)cc(-c3nc4cnn(C)c4c(=O)[nH]3)c12 8782497 LCYDZDLOELWKTD-UHFFFAOYSA-N 405.849 3.234 0 40 HGAB CCOc1ccc(N([C@@H](C)C(=O)NCCCc2cccc(C)c2)S(C)(=O)=O)cc1 10110706 DCJBVZVKHQUZIE-SFHVURJKSA-N 418.559 3.297 0 40 HGAB COc1cc2c(cc1OC)CN(C(=O)COC(=O)Cn1c(C)cc3ccccc31)CC2 10622200 OSVZXSJRPUNHIC-UHFFFAOYSA-N 422.481 3.095 0 40 HGAB C[C@H]1CCC[C@H](C)N1C(=O)CN1C(=O)COc2ccc(C(=O)c3cccs3)cc21 12239741 DFKGQMLCNDEFJS-GJZGRUSLSA-N 412.511 3.494 0 40 HGAB O=C(O)c1sccc1S(=O)(=O)N(Cc1ccc2c(c1)OCO2)C1CCCC1 12751063 VSFUUBMVMUZMRI-UHFFFAOYSA-N 409.485 3.309 0 40 HGAB Cc1ccc(CNC(=O)[C@@H](C)N2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)cc1 12808786 KLOXEBPFVDWTKZ-GOSISDBHSA-N 422.525 3.366 0 40 HGAB CN(CC(=O)Nc1ccc(Cl)cn1)CC(=O)Nc1ccccc1C(F)(F)F 12873391 MJYJUNCYYOTZLM-UHFFFAOYSA-N 400.788 3.263 0 40 HGAB COc1ccc([C@H](CNC(=O)c2cccc3c2O[C@H](C)[C@H]3C)N2CCOCC2)cc1 12896269 ASOAMRLFVVVEDX-YVHKJVDXSA-N 410.514 3.383 0 40 HGAB Cc1nc2nc(N)nn2c(C)c1CCC(=O)N(C)Cc1ccc(Cl)c(Cl)c1 12905272 WRYPQLXPEKXDDL-UHFFFAOYSA-N 407.305 3.221 0 40 HGAB O=C(Nc1ccccc1)c1ccccc1OCC(=O)N1CCN(c2ccccn2)CC1 12917095 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420.962 3.022 0 40 HGAB COC(=O)c1cc(CNC(=O)c2ccc(NC(=O)c3ccco3)s2)ccc1OC 32895749 ABOAJWBPIZCVKU-UHFFFAOYSA-N 414.439 3.319 0 40 HGAB CC(C)c1noc(CCCC(=O)N2CCN(C(=O)c3ccc(Cl)cc3)CC2)n1 32922039 UMWJYSDOQSNZIY-UHFFFAOYSA-N 404.898 3.154 0 40 HGAB O=C1S/C(=C\C=C\c2ccccc2)C(=O)N1CCC(=O)N1CCCC[C@H]1CCO 33545677 AULLKTWRLLYRKB-JGFFECLZSA-N 414.527 3.433 0 40 HGAB CCc1nnc(NC(=O)[C@H](CC)Sc2nnc(-c3ccncc3)n2CC)s1 35655242 HDAHNXXFIFWBLI-LBPRGKRZSA-N 403.537 3.283 0 40 HGAB COCCNC(=O)c1ccccc1NC(=O)C1CCN(Cc2ccc(F)cc2)CC1 39741719 WHWUBEQNWYHRFR-UHFFFAOYSA-N 413.493 3.053 0 40 HGAB COC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)c2cc(C)n(C3CC3)c2C)cc1 39978236 BJEAZPXAOJYDDG-CYBMUJFWSA-N 405.520 3.005 0 40 HGAB O=C(NCCNS(=O)(=O)c1ccccc1Cl)c1ccc(C(F)(F)F)cc1 40051343 YMUYAMFOBYSQBQ-UHFFFAOYSA-N 406.813 3.067 0 40 HGAB C[C@H](OC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1Cl)c1nc(C(C)(C)C)no1 40086336 KJNWXCGVTSKDCZ-ZETCQYMHSA-N 422.290 3.239 0 40 HGAB O=C1COc2cc(Br)ccc2N1CC(=O)N1CCC[C@@H]2CCCC[C@H]21 40093426 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COc1cccc2c1OC1(CCN(C(=O)c3ccnc(C)n3)CC1)[C@H]1CCCO[C@H]21 257342109 ZNDAUKDVTUCADU-FXAWDEMLSA-N 409.486 3.329 0 40 HGAB O=C(CNC(=O)C(=O)Nc1cccc(Cl)c1)Nc1cccc(Cl)c1Cl 408552689 MYZOFHXZPBXKPC-UHFFFAOYSA-N 400.649 3.340 0 40 HGAB Cc1c(Cl)cccc1N1C[C@H](C(=O)OCC(=O)N[C@@H](C)c2ccccc2)CC1=O 408672719 ZPUMATOAQZDCQF-DOTOQJQBSA-N 414.889 3.422 0 40 HGAB COc1ccc(C)cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2cccc(F)c2)C1 409387644 ATJQPWPLRDSHET-OAHLLOKOSA-N 406.479 3.182 0 40 HGAB C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)CC(=O)N[C@H](c1cccs1)C(C)(C)C 531902087 REPQMUFQNYYUQA-IFXJQAMLSA-N 423.604 3.292 0 40 HGAB C[C@H](Oc1ccccc1)C(=O)N1CC[C@@H](c2ccccc2Cl)S(=O)(=O)CC1 575415086 ZNLIMVMJHJCAQY-KXBFYZLASA-N 407.919 3.496 0 40 HGAB CCn1nc(C)c(CNC(=O)NC[C@@]2(Cc3ccc(F)cc3)CCC[C@@H]2O)c1C 583417755 OILDBBFRHHLKBC-UNMCSNQZSA-N 402.514 3.232 0 40 HGAB COCCN1c2cccnc2-n2cccc2[C@@]12CCN(C(=O)c1cccc(C)c1O)C2 585106571 BKVHBLQYAKDWSP-DEOSSOPVSA-N 418.497 3.094 0 40 HGAB Cn1nccc1C(=O)N[C@@H]1c2ccccc2[C@@H]2CN(c3ncnc4ccsc34)C[C@H]12 585109764 QTTYIMNDKLWJCY-TXPKVOOTSA-N 416.510 3.130 0 40 HGAB CCc1cc(C(=O)N2CCCCNC(=O)c3cc(Cl)ccc3OCCC2)on1 643558392 MTJKPHPZHWXTRU-UHFFFAOYSA-N 405.882 3.325 0 40 HGAB Cc1ccc(Oc2ccccc2)c(NC(=O)N2CCC3(CC2)C[C@@H](O)CNC3=O)c1 1667750784 NDFAAEYKVHXPGD-QGZVFWFLSA-N 409.486 3.282 0 40 HGAB CC(C)(C)c1ccc(OCC2CCN([C@@H]3CCN(CC(F)(F)F)C3=O)CC2)nn1 1775965990 OSBOFKOSQJGGAT-OAHLLOKOSA-N 414.472 3.028 0 40 HGAB CC[C@]1(C)Cc2c(sc3nnn(CC(=O)Nc4ccc(Cl)cc4)c(=O)c23)CO1 658390 BBDUPHZCNIOKDQ-LJQANCHMSA-N 418.906 3.387 0 40 HGAB COc1ccc(CC(=O)N2N=C(c3ccc(OC)cc3)C[C@]2(O)C(F)(F)F)cc1 910704 NKEHKCMAQZSBAX-IBGZPJMESA-N 408.376 3.134 0 40 HGAB CCOC(=O)[C@H](NC(=O)/C(=C/c1ccccc1F)NC(=O)c1ccccc1)C(C)C 2227896 GTNIEOIAVYITJV-GRTQGXPSSA-N 412.461 3.301 0 40 HGAB CCOc1cc([C@@H]2c3c(oc4c(C)cc(C)cc4c3=O)C(=O)N2CCCO)ccc1O 2438329 UIWYISFIAZNTBL-HXUWFJFHSA-N 423.465 3.442 0 40 HGAB O=c1cc(CSc2nnc(-c3ccccc3)n2-c2ccc(Cl)cc2)[nH]c(=O)[nH]1 3340090 UZSXEETUAZRFGB-UHFFFAOYSA-N 411.874 3.257 0 40 HGAB C[C@@H](Nc1ccc(I)cc1)C(=O)NC(=O)NC1CCCCC1 3371822 HLDUNUDEMUDOMR-LLVKDONJSA-N 415.275 3.250 0 40 HGAB O=C(O)C[C@@H](CNC(=O)[C@H]1CCCN1C(=O)OCc1ccccc1)c1ccccc1 4029190 YWCMVBHNMHKDLX-VQTJNVASSA-N 410.470 3.162 0 40 HGAB biogenic CCCCOc1ccccc1NC(=O)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@@H]12 4029459 BJOWVTJTTOMHCO-ZMIKWESLSA-N 421.490 3.201 0 40 HGAB biogenic Cc1ccc(C(=O)CN2C(=O)C(=O)N(Cc3cccc(C(F)(F)F)c3)C2=O)cc1 4042280 BOFBFXDHXOKVSB-UHFFFAOYSA-N 404.344 3.188 0 40 HGAB COc1ccccc1NC(=O)CSc1ncnc2c1nnn2Cc1ccccc1 4166334 PNYVAWDGDVHCEG-UHFFFAOYSA-N 406.471 3.009 0 40 HGAB Cn1c(=O)c2c(nc(Oc3ccccc3F)n2Cc2ccccc2Cl)n(C)c1=O 4734462 IBBCVMRHNPYPSZ-UHFFFAOYSA-N 414.824 3.067 0 40 HGAB Cc1cccc(NC(=O)Cn2c(=O)n(CCc3ccccc3)c(=O)c3ccccc32)c1 4906931 JMLBEABDANSQEU-UHFFFAOYSA-N 413.477 3.353 0 40 HGAB COc1ccc(NC(C)=O)cc1NC(=O)c1cccn(Cc2ccc(F)cc2)c1=O 5269100 WNGQJCFZOGGIOM-UHFFFAOYSA-N 409.417 3.255 0 40 HGAB O=C(OCc1cn2cc(Cl)ccc2n1)c1ccc(S(=O)(=O)C(F)F)cc1 5310609 BROSPTIJZNVROJ-UHFFFAOYSA-N 400.790 3.341 0 40 HGAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCCc3ccccn3)c2)cc1F 6507432 DXVWMAQNKQLDGO-UHFFFAOYSA-N 413.474 3.302 0 40 HGAB C[C@@H](Sc1nnnn1-c1ccc(O)cc1)C(=O)c1ccc(Br)cc1 6609410 LKQYYSBAXQNHMQ-SNVBAGLBSA-N 405.277 3.494 0 40 HGAB CCC(=O)N1CCN(c2ccc(Cl)cc2NC(=S)NC(=O)C(C)(C)C)CC1 6831726 QRGOSQMAJDHNIY-UHFFFAOYSA-N 410.971 3.258 0 40 HGAB Cc1ccc(-c2nnn(CC(=O)N3CCC[C@H]3c3ccc4c(c3)OCCCO4)n2)cc1 6849209 OKRLTYSTDARXCB-IBGZPJMESA-N 419.485 3.174 0 40 HGAB CN(CC(=O)NCCSc1ccccc1)S(=O)(=O)c1ccc2ccccc2c1 8361348 XEAPDKIXZJLCSU-UHFFFAOYSA-N 414.552 3.369 0 40 HGAB Cn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc(Cl)c(C(=O)O)c1 8391130 QBMFZKNYQDRMRC-UHFFFAOYSA-N 416.890 3.488 0 40 HGAB Cc1ccc(C)c(N2C[C@H](C(=O)OCC(=O)Nc3ccc(Cl)cc3)CC2=O)c1 8433774 KRODRTBMFJEHCI-OAHLLOKOSA-N 400.862 3.492 0 40 HGAB O=C(Nc1cccc(C(=O)NC2CC2)c1)c1cccc(I)c1 8723941 CXKNFEDJDYVIHF-UHFFFAOYSA-N 406.223 3.436 0 40 HGAB CN1CCN(c2oc(-c3ccccc3F)nc2S(=O)(=O)c2ccccc2)CC1 8844646 JCRAUSRVUTXYDK-UHFFFAOYSA-N 401.463 3.065 0 40 HGAB COc1cc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCO)ccc1OCC(C)C 8869371 SITYMPDZVKSBTP-OAQYLSRUSA-N 423.465 3.374 0 40 HGAB COC(=O)c1ccc(NC(=O)CSc2nc3cc(Br)cnc3[nH]2)cc1 9210903 CZQJAACLCQYAKM-UHFFFAOYSA-N 421.276 3.238 0 40 HGAB Cc1cccc(N2CCn3c2nc2c3c(=O)n(Cc3ccccc3Cl)c(=O)n2C)c1 9406711 ZZEICJAPWPRSIV-UHFFFAOYSA-N 421.888 3.059 0 40 HGAB O=C(Cn1nnc2ccccc21)Nc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1 9513201 HUYFJQKYQDJXPS-UHFFFAOYSA-N 404.455 3.078 0 40 HGAB CCOc1ccc(/C=C/C(=O)OCC(=O)Nc2nnc(-c3ccccc3)o2)cc1OC 9594059 IJCVIBZATNGAEI-ZRDIBKRKSA-N 423.425 3.339 0 40 HGAB CCCn1c(SCc2csc(CC(=O)Nc3ccccc3C)n2)n[nH]c1=O 9635108 FEZKATXZGKGUSY-UHFFFAOYSA-N 403.533 3.220 0 40 HGAB COc1ccc([C@@H](NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c2ccccc2)cc1 9952201 QEWSTWRSUNOLFJ-QFIPXVFZSA-N 424.522 3.465 0 40 HGAB COc1ccccc1CNC(=O)CN(c1ccc(C(C)(C)C)cc1)S(C)(=O)=O 10330496 NWOLSHWZNFYIOA-UHFFFAOYSA-N 404.532 3.075 0 40 HGAB O=C(COC(=O)c1ccc(Cl)nc1)Nc1ccccc1C(=O)NC1CCCC1 10804348 XJLZJVDAZONSRJ-UHFFFAOYSA-N 401.850 3.203 0 40 HGAB O=C(NCCOc1ccc2nnc(-c3ccc(F)cc3)n2n1)c1ccc(F)c(F)c1 11027413 FSGFKHSIFVOEDO-UHFFFAOYSA-N 413.359 3.017 0 40 HGAB CS(=O)(=O)c1ccc(NC(=O)CN2CCC(CCc3ccccc3)CC2)cc1 11155967 DTZNKCKVVOKLRH-UHFFFAOYSA-N 400.544 3.373 0 40 HGAB C[C@@H](OC(=O)CN1C(=O)c2ccccc2C1=O)C(=O)Nc1ccc(Cl)cc1Cl 11482398 JWDGJEFJLPASKG-SNVBAGLBSA-N 421.236 3.160 0 40 HGAB CCOc1ccc(NC(=O)CN2CCN(c3nccn3-c3ccc(C)cc3)CC2)cc1 11695761 QVRFZZYGRXZBIV-UHFFFAOYSA-N 419.529 3.340 0 40 HGAB CCS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)Cc3cccc(C)c3)cc21 12180672 MUXZMVZQHAQPRQ-UHFFFAOYSA-N 408.545 3.039 0 40 HGAB O=C(NCC(=O)N1CCc2ccccc21)N1CCc2c([nH]c3ccc(Cl)cc23)C1 12391445 NUEGJEQDRWRVCJ-UHFFFAOYSA-N 408.889 3.478 0 40 HGAB Cc1c(Cl)cccc1NC(=O)Cc1csc(NC(=O)c2ccc(=O)[nH]c2)n1 12440063 WHVQNFKDCQZHCL-UHFFFAOYSA-N 402.863 3.227 0 40 HGAB CC(C)(C)n1ncc2c(=O)n(CCC(=O)Nc3cccc(C(F)(F)F)c3)cnc21 12440128 WYUZCSUNBDBSHK-UHFFFAOYSA-N 407.396 3.396 0 40 HGAB CCOC(=O)c1cnc(S[C@H](C)c2nnc(-c3ccc(OC)cc3)o2)nc1N 12633554 NMEBXTXBAXSWNI-SNVBAGLBSA-N 401.448 3.147 0 40 HGAB CC(=O)N1CCN(c2nc(CN3CCC(C)CC3)nc3sc(C)c(C)c23)CC1 12750523 VJGNWKRWUICQOE-UHFFFAOYSA-N 401.580 3.209 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)cc1C 12763059 DUXWYDOVGAZESW-UHFFFAOYSA-N 416.587 3.353 0 40 HGAB O=C(Cc1coc2cc3c(cc12)CCC3)NC[C@@H]1CN(Cc2ccccc2)CCO1 12780171 PJQUDPYBCHBEFE-JOCHJYFZSA-N 404.510 3.481 0 40 HGAB C[C@H](CC(=O)NCC(=O)Nc1cc(Cl)ccc1Cl)NC(=O)c1ccccc1 12854309 URRIKBOFVIWLDR-GFCCVEGCSA-N 408.285 3.257 0 40 HGAB CCCOc1ccc(OCC(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)cc1 12922010 SURSMWJVNNODLY-UHFFFAOYSA-N 406.504 3.052 0 40 HGAB CCCc1nnc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3Br)C2)s1 12973274 USKTYBVNHWAMQB-SNVBAGLBSA-N 409.309 3.245 0 40 HGAB Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)N1CCC(Cc2ccccc2)CC1 13583258 NNOJDTBIVVQNDR-UHFFFAOYSA-N 400.544 3.340 0 40 HGAB COc1ccc(S(=O)(=O)NCc2cccc(C)c2)cc1I 13670234 BGNKRKCCHIIJQJ-UHFFFAOYSA-N 417.268 3.087 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 14183190 BNNORGNBZUJPQK-UHFFFAOYSA-N 415.437 3.010 0 40 HGAB Cc1ccc(-n2c(-c3cccs3)cn3c4c(=O)n(C)c(=O)n(C)c4nc23)cc1C 15081435 KBCPGLRCWXBART-UHFFFAOYSA-N 405.483 3.021 0 40 HGAB O=C(Cn1cnc2c(oc3ccccc32)c1=O)N1CCN(c2ccccc2Cl)CC1 15658070 XJOIFHMDTKVIOB-UHFFFAOYSA-N 422.872 3.145 0 40 HGAB CCCc1cc(=O)[nH]c(SCC(=O)Nc2ccc(Br)cc2F)n1 15980920 BRUAHMOSNKHHCV-UHFFFAOYSA-N 400.273 3.355 0 40 HGAB COc1ccc(C(=O)N[C@@H](C)c2ccc(F)cc2)cc1S(=O)(=O)N1CCCC1 17916171 YLWHMEGTLXPADF-AWEZNQCLSA-N 406.479 3.110 0 40 HGAB Cc1nccn1CC1(O)CCN(Cc2cccc(OCCN3CCCCC3)c2)CC1 19287991 DIVYDFGAKUBQIS-UHFFFAOYSA-N 412.578 3.083 0 40 HGAB CC[C@H](Oc1ccccc1F)C(=O)N1CC[C@H](c2cc(=O)[nH]c(-c3ccccn3)n2)C1 19499349 HQYIRPDQUAHCLB-KXBFYZLASA-N 422.460 3.145 0 40 HGAB Cc1c(C(=O)N2CCO[C@@H](c3nc(-c4ccncc4)no3)C2)c2ccccc2n1C 19581755 BRSHSABYGJTHAT-GOSISDBHSA-N 403.442 3.145 0 40 HGAB CNC(=O)[C@@]1(Cc2cccc(-c3ccncc3)c2)CCCN(C(=O)c2ccccn2)C1 19591216 DEHRYUKUXRIVFZ-RUZDIDTESA-N 414.509 3.355 0 40 HGAB COc1ccc(F)cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2cc(F)ccc2C)C1 20017719 CFFLIFWFNTWDJI-CQSZACIVSA-N 424.469 3.321 0 40 HGAB CCOc1ccc([C@@H](C)NC(=O)CN(c2cc(C)ccc2OC)S(C)(=O)=O)cc1 20037900 WUDBZTFZYKKGIK-MRXNPFEDSA-N 420.531 3.046 0 40 HGAB CCn1cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c(=O)c2cc(OC)ccc21 22235917 DLXLMFIBTYNUPZ-UHFFFAOYSA-N 409.461 3.132 0 40 HGAB CCOc1ccccc1NC(=O)c1cc(OC)c(OC)cc1N(C)S(=O)(=O)CC 22252776 KZVXKUQPGCPCTK-UHFFFAOYSA-N 422.503 3.141 0 40 HGAB Cc1ccc2c(c1)C(=O)N(CCC(=O)OCc1cc(Cl)c3c(c1)OCCO3)C2=O 22586819 DJXSPQZENWMPFU-UHFFFAOYSA-N 415.829 3.149 0 40 HGAB CCC(CC)[C@@H](CNC(=O)c1ccc(OC)c(Br)c1)N1CCOCC1 22898833 PMINKLDUGQOPRC-QGZVFWFLSA-N 413.356 3.325 0 40 HGAB C[C@@H]1C[C@@H](OC[C@@H](O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)CC(C)(C)C1 22912784 DTSWGECSRZRXQY-HLAWJBBLSA-N 418.578 3.125 0 40 HGAB O=C1O[C@H](CC(=O)N2CCN(CCOc3ccc(Cl)cc3)CC2)c2ccccc21 23732094 HPRAFFYTVQHYBD-HXUWFJFHSA-N 414.889 3.165 0 40 HGAB CCOC(=O)[C@H]1CSCCN1Cn1nc(C2CC2)n(-c2ccccc2)c1=S 24611564 CXHXFHMVXYZPGJ-MRXNPFEDSA-N 404.561 3.219 0 40 HGAB CN(CC(=O)Nc1ccc(F)c(F)c1F)Cc1nc2cc(Cl)ccc2c(=O)[nH]1 25461978 ZRKQJZWWJLMRKH-UHFFFAOYSA-N 410.783 3.064 0 40 HGAB CSc1ccc(S(=O)(=O)Nc2cc(C)ccc2C)cc1C(=O)N1CCOCC1 26116973 VTZCCDFQYTYKIQ-UHFFFAOYSA-N 420.556 3.299 0 40 HGAB CCN(CCC(=O)Nc1ccc(C(N)=O)cc1)C(=O)CCc1ccccc1Cl 27506924 PFHSCDQOUYQUAY-UHFFFAOYSA-N 401.894 3.249 0 40 HGAB O=C(CCC(=O)c1ccccc1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 27589789 RVWBLDWMEUKWSR-UHFFFAOYSA-N 400.500 3.463 0 40 HGAB CN(C)[C@@H](CNC(=O)C1CCN(C(=O)c2cccnc2)CC1)c1ccccc1Cl 32778273 VCWQHESAHYKIRM-FQEVSTJZSA-N 414.937 3.006 0 40 HGAB O=C(CN1C(=O)C(=O)N(Cc2cccs2)C1=O)Nc1ccccc1-c1ccccc1 32814427 FHPJSTNQGOOANB-UHFFFAOYSA-N 419.462 3.345 0 40 HGAB Cc1noc(C(C)C)c1C(=O)N1CCN(C(=O)c2ccccc2OC(F)F)CC1 32909928 PMNDBMPGPZNKPU-UHFFFAOYSA-N 407.417 3.306 0 40 HGAB COc1ccc(CNC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2c2nc3ccccc3c(=O)[nH]2)cc1 35313952 VRPOFNYIMQADJP-GQSCTRQFSA-N 401.466 3.154 0 40 HGAB COC(=O)c1ccc(COc2ccc(N3C(=O)[C@H]4[C@H]5C=C[C@H](C5)[C@H]4C3=O)cc2)cc1 36092267 XFMPZXUNUMAGRX-ALFLXDJESA-N 403.434 3.364 0 40 HGAB CC[C@H](C)[C@H](NC(=O)N1CCc2[nH]cnc2[C@@H]1c1cccc(Cl)c1)C(=O)OC 36585741 PJKHFXQCEFVQRK-IWEFOYFVSA-N 404.898 3.308 0 40 HGAB COc1ccc(NC(=O)CC[C@@H]2N=C(O)N([C@H](C)c3ccccc3)C2=O)c(OC)c1 36601929 ZWCLRDJCDVKYAZ-KDOFPFPSSA-N 411.458 3.309 0 40 HGAB O=C(c1ccc(Cn2ccnc2)cc1)N1CCN(C(=O)[C@@H]2C[C@@H]2c2cccs2)CC1 38732542 LEGWOVZUUFLSEP-VQTJNVASSA-N 420.538 3.081 0 40 HGAB COc1cc(/C=C/C(=O)N2CCC[C@H]2C(=O)Nc2nccs2)cc(Cl)c1OC 40068522 XYKMZTYDZPGOKQ-GJBLVYBDSA-N 421.906 3.457 0 40 HGAB O=C(NCCNC(=O)[C@H]1CCCN(c2nc3ccccc3s2)C1)c1ccccc1 40115091 CLZZAQZWSIIDGM-KRWDZBQOSA-N 408.527 3.059 0 40 HGAB Cc1nc(NC(=O)CCCC(=O)N2CCN(c3ccc(F)cc3)CC2)sc1C 40287002 SLSANQLMQRFXHN-UHFFFAOYSA-N 404.511 3.357 0 40 HGAB Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)c2cccc(-n3cccc3)c2)CC1 57380684 QKIZIKHADSGUJV-UHFFFAOYSA-N 416.525 3.491 0 40 HGAB CC(C)CCn1c(=O)c2sccc2n(CC(=O)Nc2cc(F)cc(F)c2)c1=O 57426691 IBIFXAKOOMEJMZ-UHFFFAOYSA-N 407.442 3.188 0 40 HGAB CCN1CCN(C(=O)c2cn(-c3ccc(F)cc3)nc2-c2cccc(OC)c2)CC1 58148877 FJIXWKGCTVSQCS-UHFFFAOYSA-N 408.477 3.465 0 40 HGAB CCOc1ccc(NC(=O)CN2CCc3[nH]c4c(C)cc(OC)cc4c(=O)c3C2)cc1 67349862 BJPNPXJUBHONOI-UHFFFAOYSA-N 421.497 3.241 0 40 HGAB O=C(Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2Cc2ccc(F)cc2)cc1)c1ccco1 67896573 ZOQIZRJQKYLUQH-DENIHFKCSA-N 424.428 3.132 0 40 HGAB biogenic,in-vitro O=C(O)[C@@H]1CC(=O)N(c2ccc3nc(-c4cncc(Br)c4)oc3c2)C1 70461397 WTLSTDOSBDPUJH-SNVBAGLBSA-N 402.204 3.090 0 40 HGAB O=C(CNC(=O)N1CCN(c2ccccc2)CC1)Nc1cccc(OC(F)(F)F)c1 72402008 ZOZFXWRDSMEKBK-UHFFFAOYSA-N 422.407 3.056 0 40 HGAB COc1cc(C(=O)N2CCCC[C@@H]2CNC(=O)OC(C)(C)C)cc(OC)c1OC 78714544 JFWGMQWUPASPMQ-OAHLLOKOSA-N 408.495 3.232 0 40 HGAB CCOC(=O)[C@H]1Oc2c(c(=O)oc3ccccc23)[C@@H]1c1cc(OC)c2c(c1)OCCO2 79192916 BZOJOKWSOPEFOE-UWJYYQICSA-N 424.405 3.029 0 40 HGAB biogenic CC[C@H](C)N(CC(=O)OC(C)(C)C)C(=O)CS[C@H](C)C(=O)Nc1cc(C)on1 84721877 JYLMQDJAUBQLBB-GXTWGEPZSA-N 413.540 3.012 0 40 HGAB C[C@@H](OC[C@H]1CCCCO1)C(=O)Nc1cc2c(cc1Br)OCCO2 95377662 HTFXSKYDGSLXEM-VXGBXAGGSA-N 400.269 3.133 0 40 HGAB COc1ccccc1OCCN1C[C@@H](C(=O)Nc2cccc3ncccc23)CC1=O 96230696 CTYWVZCVUIDNGQ-INIZCTEOSA-N 405.454 3.109 0 40 HGAB CC(=O)N1CCc2nc3cc([C@H]4CCCCN4CC4CCCCC4)nn3c(O)c2C1 100242972 RGEIZWJQKIZESS-OAQYLSRUSA-N 411.550 3.447 0 40 HGAB Cc1ccc(OCCNC(=O)CCCN(c2cccc(C)c2)S(C)(=O)=O)cc1 219619512 GGJMUXDLOKOWPJ-UHFFFAOYSA-N 404.532 3.045 0 40 HGAB COC(=O)c1cc(NC(=O)[C@H](C)N(c2cccc(C)c2)S(C)(=O)=O)ccc1Cl 220135155 BYXGILDHGMXIHB-ZDUSSCGKSA-N 424.906 3.228 0 40 HGAB CC[C@@H](C(=O)NCc1ccc(OC)cc1)N(c1cc(C)cc(C)c1)S(C)(=O)=O 220564670 GUZXEVPTVMWDBA-FQEVSTJZSA-N 404.532 3.173 0 40 HGAB CCC(=O)Nc1nnc(S(=O)(=O)N[C@H](c2ccccc2)c2ccccc2C)s1 223329280 HHSUWMMQCXUOFF-QGZVFWFLSA-N 416.528 3.263 0 40 HGAB CCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CCc1ccc(OC)c(OC)c1 223585377 XXCMPQUHLLOQNR-GOSISDBHSA-N 412.530 3.498 0 40 HGAB CCCn1c(=O)sc2cc(S(=O)(=O)Nc3ccc(NC(C)=O)cc3)ccc21 225726029 OHRAHZLMHRBYCN-UHFFFAOYSA-N 405.501 3.232 0 40 HGAB CC(=O)c1cccc(S(=O)(=O)N2CC[C@H](Oc3cc(C(F)(F)F)ccn3)C2)c1 225736637 VIKMKRGAQUDQTN-HNNXBMFYSA-N 414.405 3.145 0 40 HGAB COc1ccc(CNC(=O)[C@H]2[C@@H]3[C@H]2CC[C@]32CC(=O)c3ccccc3O2)c(OC)c1 248139610 PHXGGWLKETVAGS-RVTRJAIUSA-N 407.466 3.380 0 40 HGAB CC(=O)N1[C@@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)c1ccncn1 257237605 HHGFIQRLPPWWME-LYVDORBWSA-N 418.541 3.482 0 40 HGAB CC(=O)N1[C@@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)c1ccnn1C 257302776 SEIVHCNKDDQBMI-LYVDORBWSA-N 420.557 3.426 0 40 HGAB CCCNC(=O)COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1Cl 408561311 HPKZFNALVAPPPA-UHFFFAOYSA-N 400.859 3.185 0 40 HGAB COc1ccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccc(C)cc3)[C@H]2c2ccccc2)cc1 409057897 MTRKSCGQRZOFPK-HFXBMHRVSA-O 414.485 3.020 0 40 HGAB COc1ccc([C@H]2[C@@H](NC(=O)c3ccc(C)cc3)C(=O)N/[N+]2=C\c2ccccc2)cc1 409060438 VEUWPXRMHZBIRG-AYHYUOJHSA-O 414.485 3.020 0 40 HGAB COc1cccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccccc3)[C@@H]2c2ccc(C)cc2)c1 409060729 UNYMVJHZNZAQAA-AYHYUOJHSA-O 414.485 3.020 0 40 HGAB Cc1oc(-c2cnn(C)c2)nc1C(=O)N[C@@H]1COc2cc(F)c(Br)cc21 500349373 QUMQOFVHPXCEPQ-CYBMUJFWSA-N 421.226 3.149 0 40 HGAB Cn1c([C@@H]2CCCN2C(=O)c2c(-n3cnnn3)sc3c2CCC3)nc2ccccc21 524734007 MQEIPHNKSLOEBD-INIZCTEOSA-N 419.514 3.077 0 40 HGAB Cc1nc(Nc2ncc(C)s2)cc([C@H]2CCCCN2C(=O)/C=C/CN(C)C)n1 585292514 NUKGLWYIAGPDIM-UGAXZCSASA-N 400.552 3.465 0 40 HGAB O=C(NCC1(c2cccc(Br)c2)CC1)NC1CCN(C(=O)C2CC2)CC1 604576728 XRUKFZLDXPMHDB-UHFFFAOYSA-N 420.351 3.181 0 40 HGAB COC(=O)c1ccc(S(=O)(=O)NC[C@H](O)c2ccc(-c3ccsc3)s2)cc1 618255326 AUOYAVWUOVACHJ-HNNXBMFYSA-N 423.537 3.275 0 40 HGAB COC(=O)c1cccc(NC(=O)N2CCC(S(=O)(=O)c3ccc(F)cc3)CC2)c1 886024607 OUGBKNDODAFGJV-UHFFFAOYSA-N 420.462 3.083 0 40 HGAB Cc1nc(N2C[C@H]3CN(c4ncccc4C(F)(F)F)C[C@@H]3C2)c2ccncc2n1 1888913720 NAOONHQIONKVNN-KBPBESRZSA-N 400.408 3.320 0 40 HGAB COc1ccc(C(=O)NCC(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)cc1OC 11072255 KTHYQQDUOJHBMG-UHFFFAOYSA-N 419.481 3.231 0 40 HGAB COc1cccc(NC(=O)CSc2nc(N)c3c4c(sc3n2)CN(C)CC4)c1 20394770 CPLKRMIWOXRNRP-UHFFFAOYSA-N 415.544 3.001 0 40 HGAB COc1cc(OC)cc(-c2nc(SCC(=O)Nc3ccccc3OC)n[nH]2)c1 6259480 QIJHTSKWWIXSRF-UHFFFAOYSA-N 400.460 3.228 0 40 HGAB Cc1ccc(NC(=O)COC(=O)[C@H](CC(C)C)N2C(=O)c3ccccc3C2=O)cc1C 6842311 DATCIWADVAZZGA-FQEVSTJZSA-N 422.481 3.496 0 40 HGAB NC(=O)c1c(NC(=O)c2cccc(I)c2)sc2c1CCC2 6882580 DOETYGJSSKKGLH-UHFFFAOYSA-N 412.252 3.193 0 40 HGAB CCC[C@H](C)NC(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccccc1 6946326 SWHGLXUDWRFGQM-INIZCTEOSA-N 420.531 3.204 0 40 HGAB COC(=O)[C@@H]1[C@@H](C(=O)O)[C@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl 102911242 QKWFVUXZTLJYQY-JPVBTGMGSA-N 402.872 3.322 0 40 HGAB CC(C)Cn1c(=O)c2sccc2n(CC(=O)Nc2ccc(F)c(Cl)c2)c1=O 57486067 WBWGYNSIXLZIRA-UHFFFAOYSA-N 409.870 3.312 0 40 HGAB Cc1ccc(C)n1NC(=O)c1cccc(NC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)c1 8475606 OZHUSSWHALOMFD-SFHVURJKSA-N 420.469 3.069 0 40 HGAB O=C(NCc1ccccc1)C1CCN(S(=O)(=O)C2=Cc3ccccc3CC2)CC1 32811096 CKFASMBJPFIJKX-UHFFFAOYSA-N 410.539 3.332 0 40 HGAB CN(C)S(=O)(=O)c1ccc(C(=O)N2CCC(c3nc4ccccc4o3)CC2)cc1 2633354 QUBKMKRWYTUZRZ-UHFFFAOYSA-N 413.499 3.098 0 40 HGAB O=C(CN1CCC[C@H]1c1ccc2c(c1)OCCO2)NCCc1c[nH]c2ccccc12 7362582 QKBDTZNIYNNSGD-NRFANRHFSA-N 405.498 3.435 0 40 HGAB CCOC(=O)C1CCN(C(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)CC1 15721637 GWGMJNAMSYEDBH-UHFFFAOYSA-N 406.280 3.255 0 40 HGAB O=C1C[C@H](Sc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2)[C@@H]2CO[C@@H]1O2 101066388 PBCOBQHRAKETTK-KCQAQPDRSA-N 400.353 3.477 0 40 HGAB CN(C)c1nc2cc(NC(=O)c3ccc(Cl)c(S(=O)(=O)N(C)C)c3)ccc2o1 83855438 RWZRHJZQANWKDA-UHFFFAOYSA-N 422.894 3.050 0 40 HGAB CCOC(=O)CSC1=Nc2c(cnn2-c2ccc(Cl)cc2)C2=NCCCN12 12323120 SOSVEMRXWVHOFF-UHFFFAOYSA-N 403.895 3.275 0 40 HGAB O=C(O)CC12C[C@@H]3C[C@@H](C1)CC(n1ncc(NC[C@@H]4CCCO4)c(Cl)c1=O)(C3)C2 101094870 DVBMTEUIDSJCBO-DYDXAHRQSA-N 421.925 3.258 0 40 HGAB COc1cccc(NC(=O)[C@H](C)NC(=O)N2CCN(c3cccc(Cl)c3)CC2)c1 61720369 KMADNWCMDXDBSE-HNNXBMFYSA-N 416.909 3.207 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(CCC(=O)NCCc2cccc(F)c2)cc1 24116627 WMLGTXRPNCIPKQ-UHFFFAOYSA-N 406.523 3.148 0 40 HGAB Nc1nc(CN2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)nc2ccccc12 25060187 DVBVDOGKXLCALZ-UHFFFAOYSA-N 415.419 3.189 0 40 HGAB COc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)s3)C2)cc1C 56038500 TVKPRLUJFBMJBZ-OAHLLOKOSA-N 408.545 3.413 0 40 HGAB CCc1cccc(N2C[C@@H](C(=O)Nc3ccc(C(=O)c4nccn4C)cc3)CC2=O)c1 25675462 CIZILWHCYRXLEV-SFHVURJKSA-N 416.481 3.205 0 40 HGAB Cc1ccc(CN2C[C@@H](C(=O)OCC(=O)Nc3c(C)cc(C)cc3C)CC2=O)cc1 28609570 OPSWAQSJVQEHHY-FQEVSTJZSA-N 408.498 3.451 0 40 HGAB CCc1nnc(SCC(=O)Nc2ccccc2I)n1CC 20034256 RFBLTWWXVNLWRB-UHFFFAOYSA-N 416.288 3.196 0 40 HGAB COc1ccc(CN(C)CC(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)cc1 7653000 XFUDBUPBMDKKFU-UHFFFAOYSA-N 419.407 3.365 0 40 HGAB CN(CC(=O)Nc1cccc(F)c1)C(=O)Nc1cc(Cl)ccc1N1CCOCC1 58045973 UYJFANKLFIYDCZ-UHFFFAOYSA-N 420.872 3.418 0 40 HGAB C[C@@]1(C(=O)Nc2ccc(I)cc2)Cc2ccccc2C(=O)O1 3360018 DGLIRABHPQEWLB-KRWDZBQOSA-N 407.207 3.402 0 40 HGAB CC(=O)Nc1ccc(NC(=O)CCCN(c2cccc(C)c2)S(C)(=O)=O)cc1 408678073 FAXUTQUXCIFNBE-UHFFFAOYSA-N 403.504 3.138 0 40 HGAB CCc1ccc(O[C@@H](C)C(=O)N(Cc2cccc(F)c2)[C@H]2CCS(=O)(=O)C2)cc1 28228669 AJMZAQCWXWOELT-JXFKEZNVSA-N 419.518 3.371 0 40 HGAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccccc2C(F)(F)F)cc1C 408559834 NAWLJGMQWIRFRT-GFCCVEGCSA-N 416.421 3.328 0 40 HGAB Cc1cc(S(=O)(=O)NCc2ccc(Cn3cccn3)cc2)ccc1Br 12848694 IGKFERJSHMPXMS-UHFFFAOYSA-N 420.332 3.481 0 40 HGAB COc1ccc(C)cc1[C@@H](C)NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl 7922824 PERZDMXLFWQBTI-CYBMUJFWSA-N 410.923 3.398 0 40 HGAB C[C@@H](Sc1nnnn1C1CCCC1)C(=O)N(C)CCOc1ccc(Cl)cc1 28146704 PXOFYYMOJVIBNX-CYBMUJFWSA-N 409.943 3.460 0 40 HGAB O=C(COC(=O)c1ccccc1Cc1ccccc1)NCc1ccc2c(c1)OCO2 3621869 HJPQFIFDQLNFSQ-UHFFFAOYSA-N 403.434 3.479 0 40 HGAB O=C(Nc1ccc(N2CCc3sccc3C2)nc1)C1CCN(C(=O)C2CC2)CC1 13021424 IVUWRRIFPQQZSC-UHFFFAOYSA-N 410.543 3.293 0 40 HGAB COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1 13096582 ZWBSEGYFRYSPHZ-UHFFFAOYSA-N 424.544 3.061 0 40 HGAB COc1ccccc1CN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)C2(C)C)C1=O 4029400 SLSNOOHRUPNMQP-IBGZPJMESA-N 403.482 3.207 0 40 HGAB biogenic COCCn1c(S[C@@H](C)C(=O)NCC2CCCCC2)nc2ccccc2c1=O 8229948 MYHRDKXVIMWPPP-HNNXBMFYSA-N 403.548 3.220 0 40 HGAB O=C(O)[C@H]1CCCC[C@H]1C(=O)Nc1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)cc1 4522565 IKAOYKBYSTULCQ-BDXSIMOUSA-N 416.474 3.346 0 40 HGAB Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)OCc2c(F)c(F)c(F)c(F)c2F)cc1 14642296 RNCXIXHKBFTHLR-VIFPVBQESA-N 423.359 3.101 0 40 HGAB CCOc1ccc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCO)cc1OCC 6753049 TZQWDFJGGWNPFN-JOCHJYFZSA-N 423.469 3.117 0 40 HGAB CCOc1cc([C@@H]2c3c(-c4c(C)cc(C)cc4O)n[nH]c3C(=O)N2CCO)ccc1O 6743236 KBMQJOYFJZHNJU-JOCHJYFZSA-N 423.469 3.041 0 40 HGAB COc1ccc(C(=O)Nc2cc(F)ccc2F)cc1S(=O)(=O)NC1CCCC1 15004839 VOFNXXFIYSVLBW-UHFFFAOYSA-N 410.442 3.447 0 40 HGAB COc1cccc(/C=C/C(=O)Nc2cccc(S(=O)(=O)NCc3ccco3)c2)c1 15432654 LACABJAODAANST-ZHACJKMWSA-N 412.467 3.419 0 40 HGAB CCCCn1nc(C(=O)O[C@H](C(=O)NC2CC2)c2ccccc2)c2ccccc2c1=O 7142931 KABGVZAGCJQWNM-NRFANRHFSA-N 419.481 3.373 0 40 HGAB CSCC[C@@H](CO)NC(=O)COc1ccc2c(-c3ccccc3)cc(=O)oc2c1 8879187 UZLVXUGWEDHGIO-INIZCTEOSA-N 413.495 3.069 0 40 HGAB biogenic Cc1ccccc1N1C[C@H](C(=O)OCC(=O)Nc2cccc(Cl)c2C)CC1=O 111882422 LYGVDXGITXFDHR-OAHLLOKOSA-N 400.862 3.492 0 40 HGAB COc1ccc2c(C)c(CC(=O)N3CCN(c4ccccc4OC)CC3)c(=O)oc2c1 9306704 RMIDULLDOKVSKF-UHFFFAOYSA-N 422.481 3.010 0 40 HGAB COc1cc2oc(=O)c(CC(=O)Nc3ccccc3C(N)=O)c(C)c2cc1Cl 9348725 BCLGCXPSRKMGLO-UHFFFAOYSA-N 400.818 3.044 0 40 HGAB C[C@@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccccc2)C1=O)c1ccc2ccccc2c1 89905128 AUHCPOMPVWDQQI-GYCJOSAFSA-N 401.466 3.484 0 40 HGAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccccc2OCC)cc1C 408620391 JJUSFKZUJHQCIY-HNNXBMFYSA-N 406.504 3.098 0 40 HGAB CCc1nnc(-c2ccc(NC(=O)NC[C@@H](CC(C)C)N3CCOCC3)cc2)o1 78975085 MPWQEVNQEQQMTE-GOSISDBHSA-N 401.511 3.167 0 40 HGAB CC[C@](C)(CCCNC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O)C1OCCO1 79015094 UKQJVGSEWIWMLM-JOCHJYFZSA-N 416.522 3.175 0 40 HGAB Cc1cc(C)cc(CN2C[C@@H](c3cccnc3)[C@@]3(C2)OCCN(CC2CC2)C3=O)c1 306127649 GEBFPOKBYIOBEZ-UKILVPOCSA-N 405.542 3.305 0 40 HGAB COc1ccc(OC(=O)c2ccc3c(c2)S(=O)(=O)N=C2CCCCCN23)cc1 23708346 OYRPPWXPDSDNHZ-UHFFFAOYSA-N 400.456 3.396 0 40 HGAB CCOc1ccc(C(=O)Nc2cc(OC)ccc2OC)cc1S(=O)(=O)NC(C)C 408700353 DPCGUBRTUXMMTC-UHFFFAOYSA-N 422.503 3.042 0 40 HGAB O=S(=O)(c1cn[nH]c1)N1CCC[C@@H](c2cccc(Cc3cccc(F)c3)n2)C1 72350430 IZEBZSGOWFBRDF-MRXNPFEDSA-N 400.479 3.103 0 40 HGAB CSc1nc(N2CCCC2)c2cc(C(=O)Nc3ccc(C(N)=O)cc3)sc2n1 408619572 JIPNTGBPYZVMNS-UHFFFAOYSA-N 413.528 3.365 0 40 HGAB CC(C)[C@H](NC(=O)[C@H](C)Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1)C(=O)O 2097412 DFGVBCRALAMJNR-QKKBWIMNSA-N 409.438 3.453 0 40 HGAB biogenic CN(C)Cc1ccnc(NC(=O)c2ccn(-c3ccc(Br)cc3)n2)c1 556510158 XPJMAELGMNHTPL-UHFFFAOYSA-N 400.280 3.344 0 40 HGAB CC(C)C(NC(=O)[C@@H]1CCN(S(C)(=O)=O)c2cc(Cl)ccc2O1)C(C)C 38849212 JLARQFVVTSSNHT-INIZCTEOSA-N 402.944 3.054 0 40 HGAB Cc1nn(C)c2ncc(NC(=O)c3ccc(-n4cc(Br)cn4)cc3)cc12 36391576 DBOFIZYLUYMWCD-UHFFFAOYSA-N 411.263 3.477 0 40 HGAB Cc1cc(C)n(C[C@@H](C)C(=O)Nc2ccccc2[C@H]2NC(=O)c3cccnc3N2C)n1 72347390 SZGVEVOTDPJVLF-SZNDQCEHSA-N 418.501 3.048 0 40 HGAB COC(=O)c1cc(OCC(=O)Nc2ccccc2F)c2cc(OC)c(OC)cc2n1 65033474 RMOWCHKATMAXKM-UHFFFAOYSA-N 414.389 3.195 0 40 HGAB COCCN1C(=O)c2ccccc2[C@H](C(=O)Nc2nncs2)C12CCCCC2 49549947 KUZNEHJOFYWZEN-MRXNPFEDSA-N 400.504 3.066 0 40 HGAB COCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(OC)cc1 223021715 JHKUWMHQNWRDQV-LEWJYISDSA-N 408.527 3.500 0 40 HGAB O=C(Nc1ccc2c(c1)OCO2)[C@H]1C[C@]12CCN(C(=O)NCc1cccc(F)c1)C2 96075122 ZFACLROXHNIPQG-VGSWGCGISA-N 411.433 3.115 0 40 HGAB COCCN1C(=O)c2ccccc2[C@H](C(=O)Nc2nnc(C)s2)C12CCCCC2 95481570 RSRAQAUSMHFZKB-QGZVFWFLSA-N 414.531 3.374 0 40 HGAB Cc1ncsc1C(=O)N1CCC(COc2ccc(Cl)cc2)(CC(N)=O)CC1 257216580 CVDHWILHCNIDJM-UHFFFAOYSA-N 407.923 3.282 0 40 HGAB Cc1cc(-c2cnc(N(C)C)nc2[C@H]2CC[C@H](CNC(=O)[C@@H]3CCCO3)CC2)on1 257304751 SNAHWHTVSPPFKU-BQFCYCMXSA-N 413.522 3.075 0 40 HGAB CN(C(=O)c1cccnc1)[C@H]1CC[C@@]2(CCO)C[C@H](c3ccccc3)C[C@](C)(O2)[C@@H]1O 257340732 ZHIHNSRXXGZEKK-SBSLQGDRSA-N 424.541 3.151 0 40 HGAB CC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3N(C(=O)c1ccncn1)[C@H]2Cc1ccccc1 257229758 FZJZLQFKLGBFRI-WHGMEAMLSA-N 418.541 3.482 0 40 HGAB O=C(NCc1ccncc1)c1ccc(CS(=O)(=O)Cc2ccccc2Cl)o1 96097185 QWDQGUCDEZZWJV-UHFFFAOYSA-N 404.875 3.373 0 40 HGAB Cc1ccc(OC[C@@]2(O)CCCN(CC(=O)NCc3ccc(F)cc3)CC2)cc1 585272273 HKRXKUCLMRRRRC-HSZRJFAPSA-N 400.494 3.046 0 40 HGAB Cc1cccc(Nc2cc(C[C@@H]3CCCN(C(=O)/C=C/c4ccnn4C)C3)ncn2)n1 585291408 CIGOVDFKHWTIKE-BLGFXRMMSA-N 417.517 3.152 0 40 HGAB CCN1CCN(C(=O)CCC(=O)O)C[C@H](Cc2ccccc2-c2ccc(C)cc2)C1=O 585183585 FENMPLGYVNOWKL-NRFANRHFSA-N 422.525 3.376 0 40 HGAB Cc1cc(C)nc(C(=O)N2CCc3[nH]nc(-c4cccc5c4CN(C)C5)c3CC2)c1 585110469 ZTBJKKZMNBKJLV-UHFFFAOYSA-N 401.514 3.275 0 40 HGAB O=C1c2cccc3c(N4CCNCC4)ccc(c23)C(=O)N1c1cc(Cl)ccc1O 5344596 FQBZQPXSOQTUEY-UHFFFAOYSA-N 407.857 3.409 0 40 HGAB CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)OCc1ccccc1 5733018 AXXCQAWGCJGDKN-ROUUACIJSA-N 404.507 3.270 0 40 HGAB CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@H](C)CCc2ccccc2)ccc1OC 13581488 RCBKFCDPBTTYSZ-QGZVFWFLSA-N 418.559 3.477 0 40 HGAB CN(C(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1)c1ccccc1 13674848 NOVCMFAHZUGJRC-NRFANRHFSA-N 408.479 3.306 0 40 HGAB CCn1c(SCC(=O)Nc2ccccc2C(=O)NC2CC2)nc2ccccc2c1=O 14198531 ZHRDQSGIOBNBNX-UHFFFAOYSA-N 422.510 3.039 0 40 HGAB CCCC(=O)Nc1ccccc1C(=O)OCc1cc(=O)n2nc(C3CC3)sc2n1 15772023 AEOZSUSUZNJDQF-UHFFFAOYSA-N 412.471 3.124 0 40 HGAB CCc1cc(C(F)(F)F)n2nc([C@@H]3CCCN3C(=O)c3cnc(C)cn3)cc2n1 19522311 RDKWEBNOWQYPRT-HNNXBMFYSA-N 404.396 3.386 0 40 HGAB Cc1cc(C)c2c(CC(=O)N3CC[C@H](c4nc(-c5ncccn5)no4)C3)coc2c1 19568414 YBDWKFNQMZVVGA-HNNXBMFYSA-N 403.442 3.448 0 40 HGAB CN(C)C(=O)[C@]1(Cc2cc(-c3ccccc3)no2)CCCN(C(=O)c2ccncc2)C1 19579402 YJKDXLKPTFVMNH-DEOSSOPVSA-N 418.497 3.290 0 40 HGAB CNc1nc([C@H]2CCCN2C(C)=O)nc2c1CCN(Cc1cn(C)c3ccccc13)C2 19707451 IINYEQBENXFVGS-JOCHJYFZSA-N 418.545 3.252 0 40 HGAB COc1ccc([C@@H](CNS(=O)(=O)c2cn(C)nc2C)c2c[nH]c3ccccc23)cc1 12239049 IAOPITUAIXPDKQ-LJQANCHMSA-N 424.526 3.329 0 40 HGAB COc1cc(C(=O)OCC(=O)N(Cc2ccccc2)C(C)C)cc(OC)c1OC 3251245 UGDBSQBAJWRUAB-UHFFFAOYSA-N 401.459 3.306 0 40 HGAB Cc1cc(C)cc(NC(=O)Cn2cnc3c(cnn3-c3ccc(Cl)cc3)c2=O)c1 4165894 UFXRVRQSNPVJQO-UHFFFAOYSA-N 407.861 3.491 0 40 HGAB Cc1ccc(NC(=O)CSc2nc(=O)n(Cc3ccncc3)c3c2CCC3)cc1 4330067 DONWUWHHHHWVOK-UHFFFAOYSA-N 406.511 3.215 0 40 HGAB Cc1ccc(NC(=O)Cn2cnc3c(cnn3-c3cccc(Cl)c3)c2=O)c(C)c1 4479111 LDBMJYLVOVVCGC-UHFFFAOYSA-N 407.861 3.491 0 40 HGAB COc1ccc(CNC(=O)CSc2nnc(-c3ccccc3)n2-n2cccc2)cc1 4518580 FBUHKFFKGGWDME-UHFFFAOYSA-N 419.510 3.475 0 40 HGAB Cc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2CNC(=O)c2c(F)cccc2F)c1 4569680 NRUOEPKVYXJVJR-HNNXBMFYSA-N 408.470 3.165 0 40 HGAB Cc1cc(Nc2ccccc2)nc(N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)n1 7450843 GZFAUBCKYGVLSS-UHFFFAOYSA-N 417.469 3.220 0 40 HGAB Cc1cccc(-n2c(-c3ccc(F)cc3)cn3c4c(=O)[nH]c(=O)n(C)c4nc23)c1C 10104528 JLTIJYCEHDNTKB-UHFFFAOYSA-N 403.417 3.088 0 40 HGAB O=C(c1cc(=O)c(OCc2ccccc2)c[nH]1)N1CCN(c2ccc(F)cc2)CC1 12069899 SPCLHXACBWGACY-UHFFFAOYSA-N 407.445 3.055 0 40 HGAB O=C(CCc1ccccc1Br)N1CCC(N2C(=O)CSC2=O)CC1 206980993 UHSDMGJVCHLOOA-UHFFFAOYSA-N 411.321 3.068 0 40 HGAB Cc1ccc(NC(=O)Cn2c(C)nc3c(c2=O)CN(Cc2ccccc2)CC3)cc1F 49400788 NZBVZXKXPBBGHR-UHFFFAOYSA-N 420.488 3.196 0 40 HGAB CCOC(=O)Cc1csc(NC(=O)c2cccn(Cc3ccccc3C)c2=O)n1 5269252 MBPGMXVUIXYIPQ-UHFFFAOYSA-N 411.483 3.019 0 40 HGAB CN(Cc1ccccc1)Cc1c(O)c(CN2CCN(c3ccccc3)CC2)coc1=O 79479697 GYJMHZZMUCQBRT-UHFFFAOYSA-N 419.525 3.300 0 40 HGAB C[C@H](NC(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1)c1cccc(Br)c1 31286254 GJMPOSBZOKGPDC-DZGCQCFKSA-N 402.292 3.070 0 40 HGAB CN(C)[C@H](CNC(=O)[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1)c1cccs1 40120000 NHVYILMJRIJWMW-IEBWSBKVSA-N 417.550 3.087 0 40 HGAB CSc1nccn1-c1ccc(C(=O)N(C)Cc2nc3ccccc3c(=O)[nH]2)cc1 40135734 QLXOAUCHYMSVMM-UHFFFAOYSA-N 405.483 3.103 0 40 HGAB CCOc1ccccc1N1C[C@H](C(=O)OCC(=O)Nc2ccc(Cl)cc2)CC1=O 1289474 LSBRMDPZTNGCNI-CQSZACIVSA-N 416.861 3.274 0 40 HGAB O=C(c1nn(Cc2ccccc2)c(=O)c2ccccc12)N1CCN(c2ccccc2)CC1 3378185 RDMOSRYCTNVKKS-UHFFFAOYSA-N 424.504 3.407 0 40 HGAB Nn1c(SCC(=O)N2CCC(Cc3ccccc3)CC2)nnc1-c1ccccc1 3449741 JEPLHBRAVZFRNJ-UHFFFAOYSA-N 407.543 3.232 0 40 HGAB O=C(Cn1cnc2c(cnn2-c2ccccc2)c1=O)Nc1ccccc1C(F)(F)F 4165702 BBHWNBHXEGODEG-UHFFFAOYSA-N 413.359 3.240 0 40 HGAB Cc1cccc([C@H](c2sc3nc(C)nn3c2O)N2CCC3(CC2)OCCO3)c1 4341008 ZHICFMWVCYQIGE-MRXNPFEDSA-N 400.504 3.042 0 40 HGAB O=C(Cc1n[nH]c(=O)c2ccccc12)OCC(=O)N(c1ccccc1)C1CCCCC1 4493007 NJMQMXSKPTXAIG-UHFFFAOYSA-N 419.481 3.375 0 40 HGAB CC(C)COC(=O)[C@H]1[C@H](c2ccccc2)[C@@H](C(=O)OCC(C)C)C(=O)C[C@]1(C)O 4615372 BRGRVHJIWQXPQK-AWWSKVOZSA-N 404.503 3.125 0 40 HGAB CCOC(=O)c1nn(-c2ccccc2C)c(=O)cc1OCC(=O)Nc1cccc(C)c1 4853579 HLKMOHSHBNANLW-UHFFFAOYSA-N 421.453 3.044 0 40 HGAB Cc1ccc(NC(=O)CSc2nc(=O)n(Cc3ccccn3)c3c2CCC3)cc1 5263853 PCJVEBBQGNHFLK-UHFFFAOYSA-N 406.511 3.215 0 40 HGAB CCOC(=O)c1c(C)[nH]c(C2=NN=C(NCc3ccc(OC)cc3)SC2)c1C 5864340 NANPKSZFTOXMGT-UHFFFAOYSA-N 400.504 3.414 0 40 HGAB CCCn1c(S[C@@H](C)c2nc3sc4c(c3c(=O)[nH]2)CC[C@H](C)C4)n[nH]c1=O 5983444 OQUDRUAGJPTALS-UWVGGRQHSA-N 405.549 3.258 0 40 HGAB COc1ccc(OC)c(COc2ccc([C@H]3N[C@H](C(=O)O)CS3)cc2OC)c1 6230075 POBPVKYBYXQROA-KXBFYZLASA-N 405.472 3.080 0 40 HGAB Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3ccccc3Br)C2=O)cc1 6479241 RIPKKRLDKXDJEW-MHWRWJLKSA-N 414.259 3.289 0 40 HGAB Cc1cc(-n2c(C)cc(/C=C(/C#N)C(=O)NC(N)=O)c2C)ccc1Br 6963723 NKBFHFUMUPRYEF-ZSOIEALJSA-N 401.264 3.267 0 40 HGAB C[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1)C1CC1 8183761 WULBQISWKNSLPA-CQSZACIVSA-N 416.499 3.177 0 40 HGAB COC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N2CC[C@@H](C)Sc3ccccc32)c1C 8275147 QLAKXXLKKPYOSH-GFCCVEGCSA-N 416.499 3.492 0 40 HGAB Cc1cc(C)cc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)N3CCOCC3)cc2)c1 8335610 PSZWGRXTSKNEIJ-ZHZULCJRSA-N 419.481 3.087 0 40 HGAB COCCn1c(Cc2ccccc2)nnc1SCc1nc2ccccc2c(=O)[nH]1 8666921 FENQYRYNNIMBPR-UHFFFAOYSA-N 407.499 3.044 0 40 HGAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(C)o3)c(=O)n2[C@H]1c1ccc(C)cc1 9030783 RCQZVRSRGCHSKE-YWFITGJYSA-N 422.506 3.008 0 40 HGAB COC(=O)c1cc(OC)c(OC)cc1NCC(=O)Nc1ccccc1Br 9220372 LCEDDDNOYLXMEO-UHFFFAOYSA-N 423.263 3.304 0 40 HGAB O=C(COCC(=O)Nc1ccccn1)Nc1ccc(OCCc2ccccc2)cc1 9805735 JSEIOESEYUYKHY-UHFFFAOYSA-N 405.454 3.297 0 40 HGAB CC[C@@H](C)c1ccc(NC(=O)COC(=O)CCNS(=O)(=O)c2cccs2)cc1 9812416 NBEDSEDJXUXXHY-CQSZACIVSA-N 424.544 3.112 0 40 HGAB CCc1ccccc1NC(=O)c1cn(C)c2c(=O)n(-c3ccc(C)cc3)c(=O)[nH]c12 9820716 FRXBLCIAQRGJCN-UHFFFAOYSA-N 402.454 3.141 0 40 HGAB Cc1csc(NC(=O)COC(=O)c2nn(-c3ccc(F)cc3)c3c2CCCC3)n1 10650392 NIDGRDWQCZRZAH-UHFFFAOYSA-N 414.462 3.451 0 40 HGAB O=C(N[C@H](c1ccccc1)C1CC1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 11213746 CCJHWWJEBZZMCE-OAQYLSRUSA-N 416.518 3.494 0 40 HGAB Cc1c(CN2CCn3c(CO)nnc3C2)c2ccccc2n1Cc1ccccc1F 12222765 ZEIBIISROPHURW-UHFFFAOYSA-N 405.477 3.237 0 40 HGAB COc1ccc(-c2cc3c(=O)n(CC(=O)Nc4cccc(C)c4)ccn3n2)cc1OC 12414491 IOSOPGZPTSFCQJ-UHFFFAOYSA-N 418.453 3.127 0 40 HGAB COc1ccccc1NC(=O)Cn1c(C2CC2)nc2c(cnn2-c2ccccc2)c1=O 12441660 FDRCYVKAGLMQPK-UHFFFAOYSA-N 415.453 3.107 0 40 HGAB CC(C)NS(=O)(=O)c1ccc(NS(=O)(=O)c2cccc(Cl)c2Cl)cc1 12548688 AJSUCFJFBUPOGL-UHFFFAOYSA-N 423.343 3.481 0 40 HGAB CCOc1cc2c(cc1NS(=O)(=O)c1ccc(OC)c(NC(C)=O)c1)O[C@H](C)C2 12560916 IHKNYGQNQLOQDZ-GFCCVEGCSA-N 420.487 3.177 0 40 HGAB Nc1ncnc2sc3c(c12)CCN(C(=O)[C@@H]1COc2ccc(Cl)cc2C1)C3 12739017 LHJOJTKSCZSIFL-NSHDSACASA-N 400.891 3.063 0 40 HGAB CCOc1ccc([C@@H](CNC(=O)c2ccc(F)c(F)c2)N2CCOCC2)cc1OC 12798848 IRWFFBPWWQUILL-LJQANCHMSA-N 420.456 3.175 0 40 HGAB O=C(CN1C(=O)NC2(CCCC2)C1=O)Nc1nc(-c2ccccc2Cl)cs1 12801359 NOSNSECHIHCHNN-UHFFFAOYSA-N 404.879 3.267 0 40 HGAB COc1ccc(Br)cc1S(=O)(=O)Oc1ccc2c(c1)CCC(=O)N2 12821015 GKUHDIHJKHDVOX-UHFFFAOYSA-N 412.261 3.110 0 40 HGAB CC(=O)N(c1ccccc1)c1nc(CSc2nnnn2C[C@H]2CCCO2)cs1 14197304 VPROKVQQRHHTMD-MRXNPFEDSA-N 416.532 3.286 0 40 HGAB CC1CCC2(CC1)NC(=O)N(NC(=O)c1cc(Br)ccc1Cl)C2=O 16000020 RXBSGZVQFMRJBO-UHFFFAOYSA-N 414.687 3.248 0 40 HGAB Cc1nn(C)c(C)c1NC(=O)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 16237055 JDPSOVLTSCJROD-UHFFFAOYSA-N 424.526 3.431 0 40 HGAB CCc1cc2c(COC(=O)C[C@H](C)NC(=O)c3ccccc3)cc(=O)oc2cc1O 17602542 JDSOUZOXIBGRSN-AWEZNQCLSA-N 409.438 3.313 0 40 HGAB Cc1ccc(-c2cc(-c3ccc(F)cc3)nn2CCNC(=O)CCn2cccn2)nc1 19216177 ISMWXDMWCJTWCG-UHFFFAOYSA-N 418.476 3.463 0 40 HGAB C[C@@H](OC(=O)C1CCN(C(=O)c2ccco2)CC1)C(=O)N[C@H]1CCCc2ccccc21 19483100 KLSQZCDJAIKHFJ-UZLBHIALSA-N 424.497 3.257 0 40 HGAB COC[C@@H](C)N(Cc1ccccc1F)S(=O)(=O)c1c(C)nn(C(F)F)c1C 19577584 ICHSPKWNIHXXMU-LLVKDONJSA-N 405.442 3.260 0 40 HGAB CCc1cc2c(=O)n(CC(=O)NCCc3nc(C(C)(C)C)cs3)cnc2s1 19714953 YSYOBOQCPPCARK-UHFFFAOYSA-N 404.561 3.133 0 40 HGAB Cc1nc([C@@H]2CCCN2C(=O)c2cccnc2)ncc1C(=O)NCc1ccccc1 19754468 WGEKIUXDDGENOM-FQEVSTJZSA-N 401.470 3.087 0 40 HGAB COc1ccc(NC(=O)c2cnc([C@@H]3CCN(C(=O)c4cccnc4)C3)nc2C)cc1 19759018 FXCDQMDSDVOMCB-QGZVFWFLSA-N 417.469 3.071 0 40 HGAB Cc1ccc(-c2cc(C(=O)NCCC(C)C)nn2[C@@H]2CCS(=O)(=O)C2)cc1C 20397450 NKIWDVYJZAXCRZ-GOSISDBHSA-N 403.548 3.302 0 40 HGAB CC[C@@H](NC(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O)c1ccc(C)cc1 20461958 HDCLIVUQCDGHMJ-GOSISDBHSA-N 420.531 3.046 0 40 HGAB COC(=O)c1ccc(NC(=O)N2CCc3nc[nH]c3[C@H]2c2ccc3c(c2)OCO3)cc1 20760634 HTMQNXKFVOHCKH-HXUWFJFHSA-N 420.425 3.105 0 40 HGAB biogenic CCOc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3cccc(Cl)c3)CC2=O)cc1 21094510 BDOASHFVLKFZFP-CQSZACIVSA-N 416.861 3.274 0 40 HGAB COCC(=O)N1CCCc2ccc(NS(=O)(=O)c3cc(Cl)ccc3C)cc21 21756889 LADBNONDWBBTLG-UHFFFAOYSA-N 408.907 3.375 0 40 HGAB CC[C@H](Sc1nnc(CN2CCCCCC2=O)n1CC)C(=O)Nc1cc(C)on1 22133909 ROWRSHBSBBNUEV-AWEZNQCLSA-N 420.539 3.006 0 40 HGAB CCOC(=O)[C@@H]1CCCN(CC(=O)N2CCc3cc(-c4csc(C)n4)ccc32)C1 27343677 IURRJXNFGBYMIQ-GOSISDBHSA-N 413.543 3.283 0 40 HGAB COc1ccccc1-n1cnc2cc(C(=O)NCc3ccccc3F)ccc2c1=O 32070757 NZYMIPQYXBCPAI-UHFFFAOYSA-N 403.413 3.463 0 40 HGAB O=S1(=O)C[C@H]2N=C(SCc3cccc(F)c3)N(c3ccc(F)cc3F)[C@@H]2C1 32639875 STMQTLQGKSBTPU-NVXWUHKLSA-N 412.458 3.379 0 40 HGAB CC(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCCN(C)c1ccccc1 32822719 LSTBOVWHZXIJSG-JOCHJYFZSA-N 406.530 3.104 0 40 HGAB CSCC[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NC[C@@H]1CCCO1 32975814 NTCINOXWIBQOAD-SWLSCSKDSA-N 405.347 3.140 0 40 HGAB CCCCc1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(OC)c(OC)c2)cc1 33730320 ODQDRWYLMZRFGE-HNNXBMFYSA-N 420.531 3.352 0 40 HGAB NC(=O)Cn1cc(/C=C2/C(=O)N(c3cccc(Cl)c3)C(=O)N=C2O)c2ccccc21 33860669 ATIZTELNFXGLKU-LZYBPNLTSA-N 422.828 3.287 0 40 HGAB C[C@]12CCC(=O)C[C@@H]1CC[C@H]1[C@@H]3CC[C@@]4(OCO[C@]45COCO5)[C@@]3(C)CC(=O)[C@H]12 34781676 ZQDVAXPMAQYWLD-OKQNBDQFSA-N 404.503 3.221 0 40 HGAB biogenic CCc1ccccc1NC(=O)CN1CCN(C(=O)COc2cccc(C)c2C)CC1 35287188 AUZDQEXUYYFYJK-UHFFFAOYSA-N 409.530 3.028 0 40 HGAB CCOC(=O)[C@H]1CCCN([C@@H](c2ccccc2F)c2sc3nc(C)nn3c2O)C1 36066081 VCNFHAROFXRDBR-BBRMVZONSA-N 418.494 3.308 0 40 HGAB COc1ccc(C(=O)N(C)Cc2ccco2)cc1S(=O)(=O)N1CCCCCC1 36620216 MUHHVXNIMSUYKX-UHFFFAOYSA-N 406.504 3.125 0 40 HGAB C[C@H](CCc1ccccc1)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 38279782 JQTWVGNQOVBIEA-UYAOXDASSA-N 400.544 3.225 0 40 HGAB O=C(/C=C/c1ccco1)NCC(=O)Nc1cccc(-c2nnc3n2CCCCC3)c1 40086616 KJFCUYTXHPYFBK-ZHACJKMWSA-N 405.458 3.033 0 40 HGAB CSc1ccccc1C(=O)N1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc3c(c2)OCO3)CC1 42382352 LHDKVFBFIFUNDA-QZTJIDSGSA-N 424.522 3.225 0 40 HGAB C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(NC(=O)NCc3cccnc3)cc2)C1 43398084 OMUPWKJHYKDHIR-HOTGVXAUSA-N 402.520 3.070 0 40 HGAB COc1ccc(OCc2noc(CNC(=O)C3(c4ccccc4)CCOCC3)n2)cc1 49027332 VURYSANTBODWEZ-UHFFFAOYSA-N 423.469 3.022 0 40 HGAB COc1ccc(OCc2noc(CNC(=O)c3cnn(-c4ccccc4)c3C)n2)cc1 49027359 UENIOBZJWYLOPK-UHFFFAOYSA-N 419.441 3.081 0 40 HGAB COc1ccc(-c2nc(Cn3nnc(C(=O)Nc4cccc(C)c4)c3N)c(C)o2)cc1 57511776 BGUUMDKSMNXTER-UHFFFAOYSA-N 418.457 3.441 0 40 HGAB CCOc1ccc(NC(=O)Cn2nc3c4c5c(sc4ncn3c2=O)CCCC5)cc1 64945639 IIBNPFBQRDRZMZ-UHFFFAOYSA-N 423.498 3.022 0 40 HGAB Cc1cc(C)nc(-n2nc(C)c(CC(=O)NC(C)(C)c3ccc4c(c3)OCO4)c2C)n1 65492983 PNYGFVFOJUVHSR-UHFFFAOYSA-N 421.501 3.219 0 40 HGAB Cc1oc(C(=O)N2CC=C(c3ccccc3)CC2)cc1S(=O)(=O)N1CCCC1 71184970 UMEYCECPRCQIMY-UHFFFAOYSA-N 400.500 3.302 0 40 HGAB Cc1cc(-c2cnc(N3CCN(C)CC3)nc2[C@@H]2CCCN(Cc3ccco3)C2)on1 72348044 IBONBLTUBXLEGU-GOSISDBHSA-N 422.533 3.164 0 40 HGAB CNC(=O)c1ccc(-c2cc(C)nc([C@H]3CCCN(Cc4cnn(C)c4C)C3)c2)cn1 72353656 CDCGJMZTTBZIKR-IBGZPJMESA-N 418.545 3.233 0 40 HGAB O=C(C[C@H](CN1CCN(c2ccccc2)CC1)C(=O)O)Nc1cccc2ncccc12 72405405 WDSQAEKDFOMGIO-GOSISDBHSA-N 418.497 3.086 0 40 HGAB COCC(=O)N1CCCc2ccc(NS(=O)(=O)/C=C/c3ccc(C)cc3)cc21 77200716 DPPFVXWMWYKHDJ-ACCUITESSA-N 400.500 3.333 0 40 HGAB C[C@H]1CC(=O)N(Cc2ccccc2)c2ccccc2N1C(=O)[C@H]1CC(=O)N(C2CC2)C1 79025265 ZRNKRUIDIJTTNC-HKUYNNGSSA-N 417.509 3.356 0 40 HGAB COC(=O)C[C@H](c1ccc(OC)c(O)c1)c1c(O)n[nH]c1Cc1ccc(OC)cc1 96114219 IFMKPPQAOITXTE-MRXNPFEDSA-N 412.442 3.124 0 40 HGAB biogenic O=C(Nc1nnc([C@H]2CCCO2)s1)c1cc(=O)c(OCc2ccccc2F)co1 96231795 MYAYNOASJBVXML-CQSZACIVSA-N 417.418 3.313 0 40 HGAB CC(C)CS(=O)(=O)N1CCC2(CC1)C[C@H](CC(=O)NC(C)C)c1ccccc12 96241979 IUHKBBTWEPIJID-SFHVURJKSA-N 406.592 3.408 0 40 HGAB COc1cc(/C=C2/N=C(c3ccc(Cl)cc3)OC2=O)cc(Cl)c1OCC(N)=O 97995902 XBPREXSDSIFRBQ-VGOFMYFVSA-N 421.236 3.211 0 40 HGAB CCOc1ccc(N2C(=O)[C@@H]3C(C(C)=O)=NN(c4ccc(Cl)cc4)[C@@H]3C2=O)cc1 100982833 XPFUFHULHQBIPD-MJGOQNOKSA-N 411.845 3.062 0 40 HGAB O=C1C[C@H](n2nc(COc3ccccc3)n(-c3ccccc3)c2=S)[C@@H]2CO[C@@H]1O2 101029570 FBIOLMDPKYLULT-XKGZKEIXSA-N 409.467 3.238 0 40 HGAB c1nnn(C23C[C@H]4C[C@@H](CC(c5nc6c7c8c(sc7ncn6n5)CCC8)(C4)C2)C3)n1 101183190 YLCBZEUBLFMIFF-VRTLLEBXSA-N 418.530 3.061 0 40 HGAB CCCOc1ccc(N2C(=O)C[C@H](Nc3ccc4c(c3)CCN4C(C)=O)C2=O)cc1 103022403 VGFNTNPFQIRFSX-FQEVSTJZSA-N 407.470 3.128 0 40 HGAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)cc1 107538926 YQESQIYWRNPBNF-JTQLQIEISA-N 403.287 3.308 0 40 HGAB Cc1ccccc1NS(=O)(=O)c1ccc(OCC(=O)NCCCOC(C)C)cc1 107715335 BVJATRHWOIFDID-UHFFFAOYSA-N 420.531 3.106 0 40 HGAB CN(c1cccc(C(=O)NCCSCc2ccccc2Cl)c1)S(C)(=O)=O 222408109 QDASCGHWHHDEMN-UHFFFAOYSA-N 412.964 3.399 0 40 HGAB CCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1ccc2c(c1)OCO2 223829699 VIQZWJFAYBRMSP-OAHLLOKOSA-N 400.450 3.040 0 40 HGAB COC(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccc(OC)c(Cl)c1 224958682 MWTGDFJHDNDJNR-UHFFFAOYSA-N 413.879 3.034 0 40 HGAB COc1ccc(C)cc1N([C@@H](C)C(=O)NC(C)(C)Cc1ccccc1)S(C)(=O)=O 225797727 FMNPTEKXUIZKPY-KRWDZBQOSA-N 418.559 3.296 0 40 HGAB CC(=O)N1[C@H]2CCCCCN(C(=O)c3cnccn3)[C@@]2(C)C[C@H]1Cc1ccccc1 257226977 FNBIXLVLJWPKSH-SFLYRZDNSA-N 406.530 3.484 0 40 HGAB Cc1nc([C@H]2CCN(C(=O)CCc3ccccc3)C2)nc(C)c1CC(=O)N1CCCC1 257318568 VOMPJXMMOSDPOR-NRFANRHFSA-N 420.557 3.207 0 40 HGAB CCOCCCNC(=O)c1nc([C@@H]2CCCN2C(=O)c2ccccc2)n2ccccc12 306134099 NDMGTQBTVULKTE-FQEVSTJZSA-N 420.513 3.468 0 40 HGAB CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NC(C)C)c2)cc1 408591762 JLCOEPPDUNMHLS-UHFFFAOYSA-N 404.488 3.111 0 40 HGAB CCC[C@@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(OCC)c(Cl)c2)C1 408617399 CUCKPOGMAGXJDZ-HUUCEWRRSA-N 416.971 3.444 0 40 HGAB Cc1ccc(C(=O)O)c(NC(=O)c2cccc(N3C(=O)[C@@H]4[C@H]5CC[C@@H](C5)[C@H]4C3=O)c2)c1 408674358 ZGQMJQVGKLUJCY-AFHBHXEDSA-N 418.449 3.481 0 40 HGAB COc1cc([C@@H]2NC(SCC(N)=O)=NC(C)=C2C(=O)Nc2ccccc2)ccc1C 408992965 VHIWDVWLNWRRNJ-FQEVSTJZSA-N 424.526 3.135 0 40 HGAB CC[C@H](C)NS(=O)(=O)c1ccc(OCC(=O)Nc2cc(C)ccc2OC)cc1 409206921 RGSBQUXFTKVAKP-HNNXBMFYSA-N 406.504 3.098 0 40 HGAB O=C1CCC(=O)N(c2ccc(C(=O)N3CC4(CCCC4)c4c(F)cccc43)cc2)N1 501851403 DBVPWDGNOYGZLX-UHFFFAOYSA-N 407.445 3.456 0 40 HGAB Cc1sc(-n2cnnn2)c(C(=O)NCCCCCc2nc3ccccc3[nH]2)c1C 524734276 PDLNVNDCAQARSE-UHFFFAOYSA-N 409.519 3.360 0 40 HGAB Cc1nc(Nc2ccccn2)cc([C@@H]2CCN(C(=O)/C=C/c3c(C)nn(C)c3C)C2)n1 585291747 FLYMWDUFTLISJA-GFOMBABLSA-N 417.517 3.303 0 40 HGAB NCCCCC(=O)N1CCC2(CCCCc3ccccc3OCCCNC2=O)CC1 643556442 KLJNDOFJLKTMEV-UHFFFAOYSA-N 415.578 3.036 0 40 HGAB C=CC(=O)N1CCC(C(=O)N2CCC(OC)(C(F)(F)F)CC2)(c2ccccc2)CC1 1630252917 AOWNICCHXHUVHA-UHFFFAOYSA-N 424.463 3.303 0 40 HGAB Cc1c(Cl)cccc1S(=O)(=O)N1CCC(N(c2ccncn2)C2CC2)CC1 1775975633 LGXFFSVKQOOUNQ-UHFFFAOYSA-N 406.939 3.261 0 40 HGAB CC[C@@H](C(=O)Nc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1)c1ccccc1 691923 CVBPOAVYXGFBTK-AZUAARDMSA-N 402.516 3.276 0 40 HGAB O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)NCc1ccncc1 832094 SRQWAAHTZIIPHJ-UHFFFAOYSA-N 415.902 3.247 0 40 HGAB COc1cc([C@H]2CC(=O)c3cnc(NC(=O)c4ccco4)nc3C2)cc(OC)c1OC 2130183 COCYGUZOAHALGF-GFCCVEGCSA-N 423.425 3.260 0 40 HGAB biogenic COc1ccc(O)cc1OCCNC[C@H](O)COc1cccc2[nH]c3ccccc3c12 2528510 PVUVZUBTCLBJMT-KRWDZBQOSA-N 422.481 3.444 0 40 HGAB endogenous,world CCOC(=O)C1=C(C)N=C2S[C@@H](CC)C(=O)N2[C@H]1c1ccc(OC(C)=O)cc1 2702462 KYVGNUXANDEZKD-RDJZCZTQSA-N 402.472 3.214 0 40 HGAB COc1ccc(CN2C(=O)[C@@](O)(CC(=O)c3ccccn3)c3ccccc32)cc1OC 2855470 LZEPMVNVWIJLJS-XMMPIXPASA-N 418.449 3.106 0 40 HGAB COc1ccccc1[C@@H](CNC(=S)NCc1ccc2c(c1)OCO2)N1CCCC1 3418076 UMKUBUNQHQMFOK-GOSISDBHSA-N 413.543 3.225 0 40 HGAB O=C(COC(=O)c1cccc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)c1)c1ccccc1 4008876 GFAYBRPCWVTBHP-LPTDTENNSA-N 401.418 3.038 0 40 HGAB CC(C)[C@@H](C(=O)NC1CCCC1)N1C(=O)N2CCc3c([nH]c4ccccc34)[C@@]2(C)C1=O 4082838 TWWDUCZHWZOWLK-CYFREDJKSA-N 422.529 3.287 0 40 HGAB biogenic COCCN(C(=O)c1csnn1)[C@@H](C(=O)NC1CCCCC1)c1sccc1C 4374628 ZFVPWKVBSDMENT-MRXNPFEDSA-N 422.576 3.187 0 40 HGAB Cc1cccc(-c2cc3nc4c(c(N5CCN(c6ncccn6)CC5)n3n2)CCC4)c1 4966856 CGUBFVQXHQMMBW-UHFFFAOYSA-N 411.513 3.310 0 40 HGAB C[C@]12CC[C@@]3(C)OCC(COC(=O)[C@@](O)(c4ccccc4)C4CCCCC4)(CO1)N23 5385213 XZQPPAAMBUJAJS-CQOQZXRMSA-N 415.530 3.325 0 40 HGAB CC1CCN([C@]2(O)C(=O)Nc3c(Br)cc(Br)cc32)CC1 5482700 ALSNQBPHHRTIKN-CQSZACIVSA-N 404.102 3.041 0 40 HGAB Cc1cc(-c2ccc(/C=C3/C(=O)NC(=S)N(C)C3=O)o2)ccc1Br 8336207 CWNJOCXUOMIIJQ-WQLSENKSSA-N 405.273 3.274 0 40 HGAB CCS(=O)(=O)N(Cc1ccc(Cl)cc1)c1c(C)n(C)n(-c2ccccc2)c1=O 8500071 HPRASLHHRJULLA-UHFFFAOYSA-N 419.934 3.494 0 40 HGAB O=C(CSc1nnc(NC(=O)c2ccc3c(c2)OCO3)s1)Nc1ccccc1 9391069 RPEFLOVJWKOSIR-UHFFFAOYSA-N 414.468 3.250 0 40 HGAB CCCN1C(=S)N[C@H](c2ccc([N+](=O)[O-])cc2)C(C(=O)Nc2cc(C)on2)=C1C 11202712 QNXSMADIOUPUBB-QGZVFWFLSA-N 415.475 3.445 0 40 HGAB COc1ccc(NC(=O)CSc2nnc(N3CCCC3)n2Cc2ccco2)cc1 11428219 MHOXHAYMULZVQO-UHFFFAOYSA-N 413.503 3.259 0 40 HGAB Cc1c(C(=O)N2CCC(NS(=O)(=O)c3cccs3)CC2)oc2ccccc12 11449705 LMGZLBATITZEBR-UHFFFAOYSA-N 404.513 3.386 0 40 HGAB COc1ccc(-n2nnc(-c3nc(-c4ccc(Br)cc4)no3)c2N)cc1 11691838 MRSOFRFPHMGCAZ-UHFFFAOYSA-N 413.235 3.338 0 40 HGAB CN(CCCC(=O)N1CCC(c2ccc(O)cc2)CC1)S(=O)(=O)c1cccs1 12903258 UFEBGTIOHQVMDT-UHFFFAOYSA-N 422.572 3.261 0 40 HGAB O=c1/c(=C\c2ccc(O)cc2)sc2n1[C@H](c1ccccc1)C(c1ccccc1)=NN=2 13147134 CTHGCMCEROPAJR-GFCAVMEOSA-N 411.486 3.071 0 40 HGAB Cc1ccc2c(c1)CCCN2CC(=O)N[C@@H](C)[C@H](c1ccccc1)N1CCOCC1 14086081 JIHGGXHJWGMNAV-NBGIEHNGSA-N 407.558 3.326 0 40 HGAB CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)CN1CCN(C(=O)C2CC2)CC1 14109126 VBLHAYGLLFVVJB-UHFFFAOYSA-N 415.921 3.113 0 40 HGAB CC(=O)c1ccccc1NC(=O)[C@@H](C)OC(=O)[C@@]12CCC(=O)N1c1ccccc1S2 14197898 OFTNUTKKTCYZHW-PEBXRYMYSA-N 424.478 3.388 0 40 HGAB O=S(=O)(Cc1nc2ccccc2n1C[C@@H](O)COc1ccccc1)c1ccccc1 14289929 NPGNGPMSRZNUBP-GOSISDBHSA-N 422.506 3.450 0 40 HGAB Cc1c(Cl)cccc1NC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 14495201 ODBTZAFCYIEULD-UHFFFAOYSA-N 422.934 3.241 0 40 HGAB O=C(Nc1ccccc1N1CCOCC1)c1ccc(I)cc1 14870582 MIDFLEDQSAWLJF-UHFFFAOYSA-N 408.239 3.380 0 40 HGAB C[C@@]12CCC(=O)N1[C@H](C(=O)Nc1nnc(SCc3ccc(F)cc3)s1)CS2 15940779 HLVGEXCXFRWNFC-YVEFUNNKSA-N 424.548 3.362 0 40 HGAB Cc1cc(N2C(=O)[C@H]3[C@@H]4CC[C@@H](O4)[C@@H]3C2=O)nn1Cc1ccc(Cl)c(Cl)c1 17083314 ZQSKJYWXOITBTQ-FSDCSDTHSA-N 406.269 3.213 0 40 HGAB Nc1nc(SCC(=O)N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2ccco2)n[nH]1 17885412 SZXYQZOFHAITDO-CYBMUJFWSA-N 402.867 3.103 0 40 HGAB CCc1ccccc1NC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c1 18067093 VHAZVICAYYIQBD-IYBDPMFKSA-N 402.516 3.299 0 40 HGAB COc1ccc(CC(=O)N2CC[C@H](C(=O)c3cnn(-c4ccc(C)cc4)c3N)C2)cc1 19213269 FZXCOIRUUXQNGJ-SFHVURJKSA-N 418.497 3.045 0 40 HGAB Cc1nccn1CC1(O)CCN(C(=O)Cc2csc(-c3cccc(F)c3)n2)CC1 19287880 SFXVUIQEDMNEQE-UHFFFAOYSA-N 414.506 3.050 0 40 HGAB Cc1ccccc1OC1CCN(CC(=O)Nc2sc3c(c2C(N)=O)CCC3)CC1 19664373 URJDTIOSFDRWRP-UHFFFAOYSA-N 413.543 3.126 0 40 HGAB Cn1cc(C(=O)N2CCO[C@@H](c3ccc(-c4cccc(Cl)c4)cn3)C2)ccc1=O 19692482 YVLFYGZLPFZBOV-HXUWFJFHSA-N 409.873 3.314 0 40 HGAB Nc1n[nH]c2nc([C@@H]3CCCN3CC(=O)Nc3ccccc3F)cc(C(F)(F)F)c12 19742527 JAODCSUIAVGYKJ-AWEZNQCLSA-N 422.386 3.474 0 40 HGAB CCn1ccnc1CN1CCC(Cc2nn(C)cc2C(=O)Nc2ccc(F)cc2)CC1 19756392 LAJIACJKIAFENS-UHFFFAOYSA-N 424.524 3.483 0 40 HGAB O=S(=O)(NCCc1csc(-c2ccccn2)n1)c1ccc(Br)cc1 19942363 RFDCCOXMONKOBO-UHFFFAOYSA-N 424.345 3.489 0 40 HGAB CC(C)(C)OC(=O)N(CCNc1ncc(C(F)(F)F)cc1Cl)S(C)(=O)=O 20405322 UFEVDLPZKGOQBA-UHFFFAOYSA-N 417.837 3.362 0 40 HGAB COc1ccc([C@H](C)NC(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)cc1 20493525 NYKSNXXKLSWBTD-INIZCTEOSA-N 404.532 3.462 0 40 HGAB CCOc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccccc3Cl)CC2=O)cc1 21094220 CTLVXPRBLNRIBY-CQSZACIVSA-N 416.861 3.274 0 40 HGAB COc1cc(C(=O)NC(C)(C)C)c(N(Cc2ccccc2)S(C)(=O)=O)cc1OC 22253235 VTLVDNGXYACUFT-UHFFFAOYSA-N 420.531 3.198 0 40 HGAB COCCCNC(=O)CN(c1cccc(Cl)c1C)S(=O)(=O)c1ccc(C)cc1 22277746 GRPNFNZHWUUTCM-UHFFFAOYSA-N 424.950 3.305 0 40 HGAB O=C(c1c[nH]c2ccccc12)[C@@H](c1ccccc1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 23882595 KACHAZHWXLYSEA-XZOQPEGZSA-N 417.509 3.415 0 40 HGAB O=C(c1ccc(-n2cncn2)cc1)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 25139852 SBYOFSJKOOYFEJ-UHFFFAOYSA-N 416.407 3.034 0 40 HGAB CC(C)[C@@H](CNC(=O)COc1ccc2c(c1)CCC(=O)N2)N1CCc2ccccc2C1 25919240 XIQBCAATYUFTMC-HSZRJFAPSA-N 421.541 3.149 0 40 HGAB C[C@@H](OC(=O)c1ccc(C2SCCS2)cc1)C(=O)Nc1ncnc2nc[nH]c12 26236091 AATXBRBVGSAWRN-SNVBAGLBSA-N 415.500 3.016 0 40 HGAB O=C(Nc1ccccc1)C1CCN(CCS(=O)(=O)c2ccc(Cl)cc2)CC1 32764859 HAUULILESJDINK-UHFFFAOYSA-N 406.935 3.464 0 40 HGAB COc1ccc(S(=O)(=O)Nc2c(C)nn(-c3ccccc3)c2C)cc1NC(C)=O 32855679 DIXCDLUYRCWRCN-UHFFFAOYSA-N 414.487 3.257 0 40 HGAB CCn1c(SCC(=O)Nc2ccccc2OC(F)F)nc2ncccc2c1=O 32885481 FWFOKVUMLCPQIL-UHFFFAOYSA-N 406.414 3.144 0 40 HGAB COc1cccc(NC(=O)NCc2cc(=O)n3nc(-c4ccc(C)cc4)sc3n2)c1 32996039 PFROIUIIMVKYMO-UHFFFAOYSA-N 421.482 3.457 0 40 HGAB CCn1c(SCC(=O)NC2CCCC2)nc2c3cc(OC)ccc3n(C)c2c1=O 33287489 XXCWMGLACSNQED-UHFFFAOYSA-N 414.531 3.068 0 40 HGAB C[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)Nc1c(F)cccc1F 33826358 DHMAAMIJXVVQPU-SECBINFHSA-N 419.247 3.033 0 40 HGAB Cc1cnc(NC(=O)CCC(=O)N2CCN(c3nsc4ccccc34)CC2)s1 36358692 JSVHEKKEVOSPOL-UHFFFAOYSA-N 415.544 3.129 0 40 HGAB CS(=O)(=O)c1ccc([C@@H](C[C@@H]2CCC(=O)C2)C(=O)Nc2cnccn2)cc1Cl 38939677 XEANIURBPHCHMG-IUODEOHRSA-N 421.906 3.015 0 40 HGAB biogenic Cc1nn2c(nnc3c(=O)n(CCc4cnc[nH]4)ccc32)c1-c1ccc(Cl)cc1 40396014 XCGQEOSCGRIKAL-UHFFFAOYSA-N 405.849 3.034 0 40 HGAB CSc1ccccc1NC(=O)C(=O)NCC1CCN(Cc2ccsc2)CC1 43941003 SRROGIWZFOFPCK-UHFFFAOYSA-N 403.573 3.437 0 40 HGAB CCNC(=O)c1cc2cc(N(C)S(=O)(=O)c3ccc(OC)cc3)ccc2s1 46058914 DIKPRWBRUIAOMI-UHFFFAOYSA-N 404.513 3.485 0 40 HGAB COc1cccc(CO[C@H](C)C(=O)NCCNC(=O)c2ccc(C(F)(F)F)cc2)c1 48361455 YSBLLLRYZFCQDH-CQSZACIVSA-N 424.419 3.165 0 40 HGAB O=C(Cn1nc2c(SC3CCCCC3)nccn2c1=O)Nc1ccccc1F 49008962 AVVGWCCTWUVGLN-UHFFFAOYSA-N 401.467 3.094 0 40 HGAB Cc1ccc(N2CCCS2(=O)=O)cc1NC(=O)c1cnn(-c2ccccc2)c1C 49504043 BFEZKSRKRBLONS-UHFFFAOYSA-N 410.499 3.281 0 40 HGAB CN(c1ccc(Br)cc1F)S(=O)(=O)c1ccc2c(c1)OCCO2 57014536 PMOMUTYDTMKPLK-UHFFFAOYSA-N 402.241 3.185 0 40 HGAB O=C(CCc1ccc2c(c1)OCO2)Nc1ccccc1C(=O)NCc1cccnc1 61238825 OLVVQDZEVLYLSI-UHFFFAOYSA-N 403.438 3.312 0 40 HGAB COc1ccc(OC)c(C(=O)Cn2nc3ccc(-c4ccc(Cl)cc4)nn3c2=O)c1 67206968 DYKSFXOXDXKFSU-UHFFFAOYSA-N 424.844 3.112 0 40 HGAB Cc1ccc2c(c1)C(=O)C[C@]1(CCC(=O)N([C@@H](C)C(=O)Nc3nccs3)CC1)O2 72328043 RZTDMDQTBPZNMN-LHSJRXKWSA-N 413.499 3.195 0 40 HGAB CN1C(=O)C[C@@H](C(=O)Nc2nnc(CCc3ccccc3)s2)[C@H]1c1ccccc1 72400606 AKAYBRCWMJZOKZ-YLJYHZDGSA-N 406.511 3.481 0 40 HGAB CCc1cccc2c(C3=CCN(C(=O)CS[C@H]4CCS(=O)(=O)C4)CC3)c[nH]c12 83827721 XCQZRUZXEYCNHG-KRWDZBQOSA-N 418.584 3.266 0 40 HGAB Cc1oc(-c2ccsc2)nc1CC(=O)N1CCN(c2ccc(Cl)nn2)CC1 89548255 PVVQDDRYSDDXDQ-UHFFFAOYSA-N 403.895 3.046 0 40 HGAB COc1ccc(CN(C)c2ccc3ccc(C(=O)N4CC[C@@H](N(C)C)C4)cn23)cc1 96146170 PCTPUQRVULCSEL-OAQYLSRUSA-N 406.530 3.360 0 40 HGAB CC(=O)c1cccc(NC(=O)CCCCCN2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@H]3C2=O)c1 100394887 AQIZKCBRIYLJCU-XWOVPUAZSA-N 420.509 3.441 0 40 HGAB COc1cccc(N2C(=O)[C@H]3N=NN(c4ccc(Br)c(C)c4)[C@@H]3C2=O)c1 101260712 QIUYJCCOYOOSHH-HOTGVXAUSA-N 415.247 3.264 0 40 HGAB O=C(CN1C(=O)[C@H]2CCCC[C@H]2C1=O)OCC(=O)c1ccc2c(c1)-c1ccccc1C2 102271680 WHKFZWGASKFOIV-BGYRXZFFSA-N 417.461 3.159 0 40 HGAB CCOc1ccccc1CNC(=O)c1cccc(S(=O)(=O)N2CCC(C)CC2)c1 113957039 KDRXOPGTKBMNJH-UHFFFAOYSA-N 416.543 3.436 0 40 HGAB Cc1cccc(-c2noc(CN(C)C(=O)c3ccc(CN4CCCC4=O)cc3)n2)c1 219233932 XRXCVTBNJWDASP-UHFFFAOYSA-N 404.470 3.440 0 40 HGAB COC(=O)c1sccc1S(=O)(=O)N1CCS[C@H](c2cccs2)CC1 219551239 ZFQNJNWWPSZDFD-LBPRGKRZSA-N 403.572 3.465 0 40 HGAB Cc1ccc(OC[C@H](C)NC(=O)c2ccc(C)c(N3CCCCS3(=O)=O)c2)cc1 222576537 FTWNXBAARRIIBJ-SFHVURJKSA-N 416.543 3.431 0 40 HGAB CN(C(=O)COc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccc(F)cc1 222751297 WUYIWYVWHSZXII-UHFFFAOYSA-N 420.506 3.432 0 40 HGAB COCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)COc1ccccc1Cl 222878528 VYOKAFJAMNUBNP-OAHLLOKOSA-N 422.884 3.038 0 40 HGAB CCSc1nnc(NC(=O)[C@H](CC)N(c2cccc(C)c2)S(C)(=O)=O)s1 225826541 KJUXFCHDFKYIFQ-ZDUSSCGKSA-N 414.578 3.142 0 40 HGAB COCCCNC(=S)Nc1nc(N2CCC[C@@H](C)C2)cc(N2CCC[C@@H](C)C2)n1 225901175 FPJRKAINOIAYPO-IAGOWNOFSA-N 420.627 3.272 0 40 HGAB CCN(CC(=O)N(C)c1ccccc1)S(=O)(=O)c1ccc(Br)cc1 226054551 JRQJLGRQNPHZIX-UHFFFAOYSA-N 411.321 3.123 0 40 HGAB COc1ccc(Cl)cc1C(=O)N1CCC(n2c(O)nc3ccsc3c2=O)CC1 253537734 USPXKVADYRXCPT-UHFFFAOYSA-N 419.890 3.303 0 40 HGAB O=C(c1sc2ncccc2c1[C@@H]1CCN(C(=O)C2CCCC2)C1)N1CCOCC1 257253731 KAAVSGKCTICGAX-MRXNPFEDSA-N 413.543 3.275 0 40 HGAB CC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3N(C(=O)c1ccncn1)[C@H]2Cc1ccccc1 257272221 NBMUPMPMHURNAH-CHSSDKTLSA-N 404.514 3.092 0 40 HGAB CN(C)CCNC(=O)c1sc2ncccc2c1[C@H]1CCN(C(=O)C2CCCC2)C1 257273541 NHBDFCKGXIWMRE-INIZCTEOSA-N 414.575 3.094 0 40 HGAB CN(CCC(=O)N1CCC[C@H]1c1nc(Cc2ccc(F)cc2)n[nH]1)Cc1cccnc1 257303444 SHGVTTGNAFRUSG-FQEVSTJZSA-N 422.508 3.115 0 40 HGAB COCCN1CC[C@@]2(CN(Cc3sccc3C)C[C@@H]2c2cn(C(C)C)cn2)C1=O 306136873 QFJZHKJMBUTWRL-GCJKJVERSA-N 416.591 3.298 0 40 HGAB CC(C)CN1CCC2(CC1)Cc1nc3c(c(=O)n1C2)CN(Cc1ccccc1)CC3 306141816 WHCPQEATYXGFHI-UHFFFAOYSA-N 406.574 3.096 0 40 HGAB COC(=O)c1cc(NC(=O)CN(c2cc(C)ccc2C)S(C)(=O)=O)ccc1Cl 409272894 UCZUDXHRRMALHX-UHFFFAOYSA-N 424.906 3.148 0 40 HGAB CN(C)CCNC(=O)c1cccc(CNC(=O)N2CC(C)(C)[C@@H]2c2ccccc2)c1 589675684 YQKCUWLBUYZCQQ-NRFANRHFSA-N 408.546 3.271 0 40 HGAB CCn1ccnc1CN1CCCN([C@@H](C)C(=O)N2c3ccccc3CC[C@H]2C)CC1 592190252 WQXYGSZKUQDHSD-UXHICEINSA-N 409.578 3.167 0 40 HGAB CC(C)CCN1CCC2(CCCCNC(=O)c3ccccc3OCCNC2=O)CC1 643565614 KEPQNKILGYLCAO-UHFFFAOYSA-N 415.578 3.224 0 40 HGAB Cn1cc(-c2ccc(CCNC(=O)C(=O)Nc3ccccc3C(F)(F)F)cc2)cn1 1889277231 PQVPQLIRYQERRM-UHFFFAOYSA-N 416.403 3.403 0 40 HGAB CCOC(=O)c1nn(-c2ccc(Cl)cc2)c2nnc(Cc3ccc(C)cc3)c(=O)n12 624458 ARYSKNSBXPCLHL-UHFFFAOYSA-N 423.860 3.005 0 40 HGAB COc1ccc(/N=c2\oc3cc(O)ccc3cc2C(=O)NC[C@@H]2CCCO2)cc1OC 876868 HWOLKTOIZQDVQX-KZIRDTCISA-N 424.453 3.297 0 40 HGAB COc1cccc(-c2cc3nc4c(c(N5CCC6(CC5)OCCO6)n3n2)CCC4)c1 1341023 DJFWGCOGGYDSTE-UHFFFAOYSA-N 406.486 3.237 0 40 HGAB COc1cccc2sc(NC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)nc12 1505438 AXFDNXGLYPEPGI-UHFFFAOYSA-N 417.512 3.342 0 40 HGAB CCCCc1cc(=O)oc2c(C)c(OCC(=O)N[C@@H](CCSC)C(=O)O)ccc12 2107971 HAIQLUYVHORVIA-INIZCTEOSA-N 421.515 3.145 0 40 HGAB biogenic CN(C)S(=O)(=O)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 2640280 XZEFMKDUVUFGDQ-UHFFFAOYSA-N 409.316 3.045 0 40 HGAB Cc1ccc(-c2csc(NC(=O)COC(=O)c3ccc(NC(N)=O)cc3)n2)cc1 2650887 UIXPDZIEFJVIFK-UHFFFAOYSA-N 410.455 3.405 0 40 HGAB CN(C(=O)COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)c1ccccc1 3221153 RHLLWBSIPNZJAO-QFIPXVFZSA-N 416.477 3.234 0 40 HGAB O=C(Cc1ccc(F)cc1)Nc1nnc(SCC(=O)NC2CCCCC2)s1 4328785 VXMUDCAFHIPGMQ-UHFFFAOYSA-N 408.524 3.399 0 40 HGAB CCCNC(=O)COC(=O)c1ccc(COc2ccc3c(C)cc(=O)oc3c2)cc1 4371464 ZDKGBDBSSJDSGE-UHFFFAOYSA-N 409.438 3.363 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)/C=C/c2ccc3c(c2)OCO3)cc1 4696190 NCJVIPKUEMKZSR-WUXMJOGZSA-N 402.472 3.098 0 40 HGAB COc1ccc([C@H]2C(C(=O)Nc3ccc(C)cc3C)=C(C)Nc3nnnn32)c(OC)c1 4878811 DXOUNPMRROMNTI-FQEVSTJZSA-N 420.473 3.235 0 40 HGAB Cc1ccc2nc3c(cc(C(=O)N4COCC4(C)C)n3Cc3ccccc3)c(=O)n2c1 5244768 IHKQKCMMHCYOQC-UHFFFAOYSA-N 416.481 3.214 0 40 HGAB Cc1ccccc1-n1nc2c(c1NC(=O)C(=O)NCc1ccc(F)cc1)CSC2 5437748 NXHBCHXCLNTTNM-UHFFFAOYSA-N 410.474 3.322 0 40 HGAB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OC(=O)c2ccccc2)c(OC)c1 5795916 HFPQQCDXCPOZSA-IBGZPJMESA-N 410.426 3.105 0 40 HGAB COc1ccc(C)cc1S(=O)(=O)N1CCC(C(=O)Nc2ccc(F)cc2)CC1 6282173 ISFUWOHCFHOHBK-UHFFFAOYSA-N 406.479 3.182 0 40 HGAB Cc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)c(C)c1 6340325 HCQKCEXBRGEMDP-UHFFFAOYSA-N 408.907 3.230 0 40 HGAB CCn1c(CC(=O)Nc2ccccc2)nnc1SCC(=O)NC1CCCCC1 6356540 IKSKCBXFJWCYCV-UHFFFAOYSA-N 401.536 3.020 0 40 HGAB CN(C)S(=O)(=O)c1ccc(NCC(=O)Nc2ccc(SC(F)F)cc2)cc1 6830872 LWEOLGTZVJUAPF-UHFFFAOYSA-N 415.487 3.302 0 40 HGAB CCC[C@@H](C)NC(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccccc1 6944864 SWHGLXUDWRFGQM-MRXNPFEDSA-N 420.531 3.204 0 40 HGAB Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)c3cc4c(s3)CCCC4)CC2)c1 6968965 SETVCTIOPRPGGN-UHFFFAOYSA-N 418.584 3.390 0 40 HGAB CCc1ccccc1NC(=O)CNC(=O)CSc1nnc(C)n1-c1cccc(C)c1 7095138 PICBELZPESRXFY-UHFFFAOYSA-N 423.542 3.294 0 40 HGAB COc1ccc(C(=O)N(C)Cc2ccc(Cl)s2)cc1S(=O)(=O)NC1CC1 7285148 WIFLHUFSPGHNDQ-UHFFFAOYSA-N 414.936 3.123 0 40 HGAB Cc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccc(Cl)cc3)CC2=O)c(C)c1 8039045 MPZJZRGEXGXXPM-OAHLLOKOSA-N 400.862 3.492 0 40 HGAB COC(=O)c1ccc(C)c(NC(=O)CCCN(c2ccc(C)cc2)S(C)(=O)=O)c1 8049274 OXFBGEXKDMTGKT-UHFFFAOYSA-N 418.515 3.275 0 40 HGAB C[C@H](Sc1nnc(Cc2cccs2)n1C1CCCCC1)C(=O)N1CCNC1=O 8313150 MAJOUSGKURKEGG-ZDUSSCGKSA-N 419.576 3.468 0 40 HGAB COc1ccc2cc(CN(C)C(=O)CCc3c(C)nc4ncnn4c3C)ccc2c1 8360952 LHNWMKBBRNNHBB-UHFFFAOYSA-N 403.486 3.494 0 40 HGAB Cc1ccc(C)c(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(Cl)cc3)CC2=O)c1 8433775 KRODRTBMFJEHCI-HNNXBMFYSA-N 400.862 3.492 0 40 HGAB Cc1cccc(N(CCCC(=O)NCCSCc2ccco2)S(C)(=O)=O)c1 8493361 SIMXIRBSURICDJ-UHFFFAOYSA-N 410.561 3.184 0 40 HGAB CCOc1ccc(N2C[C@H](CNS(=O)(=O)c3ccc(C)cc3C)CC2=O)cc1 9036240 BTJZJDBRBYFJMM-KRWDZBQOSA-N 402.516 3.034 0 40 HGAB CSCC[C@@H](NC(=O)c1ccccc1)C(=O)Nc1ccc(N2CCOCC2)cc1 9379147 DXCPREYLRLRVAE-HXUWFJFHSA-N 413.543 3.013 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCCN(Cc3nc(-c4ccsc4)no3)CC2)cc1 9861479 VEERUJAGOUSRHZ-UHFFFAOYSA-N 418.544 3.003 0 40 HGAB CCN(Cc1ccc2c(c1)OCO2)C(=O)CSc1nc(-c2cccs2)n[nH]1 10030532 SGAXXHFERLZXMW-UHFFFAOYSA-N 402.501 3.403 0 40 HGAB CC1=C(C(=O)N2CCOCC2)[C@@H](c2cccc(Oc3ccccc3)c2)n2ncnc2N1 10157063 FUBJMGCCPZASLZ-OAQYLSRUSA-N 417.469 3.218 0 40 HGAB O=C(COC(=O)C1=C(Cl)CCCC1)Nc1ccc(S(=O)(=O)C(F)F)cc1 10568427 CXCPYYOBARGRGG-UHFFFAOYSA-N 407.822 3.232 0 40 HGAB CS(=O)(=O)c1cccc(NC(=O)CN2CCC(CCc3ccccc3)CC2)c1 11155730 IBBPTLYIYDXFNH-UHFFFAOYSA-N 400.544 3.373 0 40 HGAB CC(C)c1ccc(NC(=O)c2ccc(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)cc2)cc1 12029695 YVQORVXLRMXIBC-IBGZPJMESA-N 421.540 3.023 0 40 HGAB COc1ccc(OC)c(CN(Cc2ccnc(N3CCCC3)n2)C[C@H]2CCCO2)c1 12187509 WOVWJGLUPYJIJF-OAQYLSRUSA-N 412.534 3.275 0 40 HGAB O=C(Nc1ccc2c(c1)OCCO2)c1cc(N2CCCCS2(=O)=O)ccc1Cl 12195912 VDDVKEFKZGDDNF-UHFFFAOYSA-N 422.890 3.294 0 40 HGAB COCc1ccc(C(=O)N2CCC[C@@H](c3cc(C(F)F)n4ncnc4n3)C2)cc1 12327482 KJFDLYGQSDSSTE-OAHLLOKOSA-N 401.417 3.228 0 40 HGAB COc1ccccc1N1C(=O)c2ccccc2N[C@H]1c1ccc(OCC(N)=O)cc1 12552077 HNARNIFRLPUYKM-JOCHJYFZSA-N 403.438 3.330 0 40 HGAB CN(C)c1ccc(NC(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 12561349 IFRBZHFJHMIWLM-UHFFFAOYSA-N 415.559 3.499 0 40 HGAB O=C(N[C@@H]1CCN(Cc2ccccc2)C1)c1cnc2c(cnn2Cc2ccccc2)c1 12789129 XJVOGKMTXGPHAM-HSZRJFAPSA-N 411.509 3.484 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCC(NC(=O)C(C)(C)c3ccccc3)CC2)cc1 12972523 BCXBFCOUVOITMT-UHFFFAOYSA-N 400.544 3.242 0 40 HGAB CC(=O)c1cccc(NC(=O)c2cccc(NC(=O)CSc3nncn3C)c2)c1 13068997 RFFFVZFUDHPWHR-UHFFFAOYSA-N 409.471 3.001 0 40 HGAB Cc1cc(C)n(CCC(=O)N2CCC[C@H](c3nc4ccc(F)cc4cc3C(N)=O)C2)n1 13225387 NRSPSKMQTLZKMB-INIZCTEOSA-N 423.492 3.082 0 40 HGAB Cc1cc2c(cc1C(=O)c1ccco1)N(CC(=O)NCc1ccco1)C(=O)C(C)(C)O2 13226764 SWZJHUMYHPFNLN-UHFFFAOYSA-N 422.437 3.232 0 40 HGAB O=C(CSC(=S)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O)c1ccc(F)cc1 13572433 IFCJACWAGYCTHQ-HIFRSBDPSA-N 402.516 3.308 0 40 HGAB COCCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccc2c(c1)C(=O)N(C)C2=O 14596294 OPUGZENNKUBZHM-UHFFFAOYSA-N 422.359 3.209 0 40 HGAB COc1ccccc1CCNC(=O)C[C@H]1CCCCN1S(=O)(=O)c1cccs1 16838134 CEISCBHEPHAFJE-QGZVFWFLSA-N 422.572 3.049 0 40 HGAB Cc1cc(-c2cccs2)nc([C@@H]2CCCN(C(=O)c3cnc(N(C)C)nc3)C2)n1 19117877 CBGSNIQCFKXLTN-OAHLLOKOSA-N 408.531 3.389 0 40 HGAB Cc1cc(-c2cnc(N3CCOCC3)nc2C2CCN(C(=O)C(C)(C)C)CC2)on1 19122726 JAJFENUUDXFJAD-UHFFFAOYSA-N 413.522 3.029 0 40 HGAB Cc1ccc(-n2ncc(C(=O)[C@@H]3CCN(C(=O)CCCc4ccccn4)C3)c2N)cc1 19213171 MHQFBDKCOWCMPR-GOSISDBHSA-N 417.513 3.212 0 40 HGAB Cc1ncc(CN2CCC([C@H]3C[C@H](C(=O)Nc4ccc(F)cc4)CN3C)CC2)cn1 19287204 SSIKNOMZEAAOPT-SIKLNZKXSA-N 411.525 3.095 0 40 HGAB O=C(NCc1noc(-c2ccc(Cl)cc2)n1)c1ccccc1CN1CCOCC1 19349191 QZUOLLWHZBJCQV-UHFFFAOYSA-N 412.877 3.152 0 40 HGAB NC(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CN(C(=O)c2ccccc2)CCO1 19368896 YVWZSVZRZMXTDD-QHCPKHFHSA-N 406.507 3.354 0 40 HGAB CC[C@@H](C)NC(=O)CN1C(=O)C(C)(C)Oc2ccc(C(=O)c3cccs3)cc21 19499969 GWOQBVIHUZVUAX-CYBMUJFWSA-N 400.500 3.398 0 40 HGAB Cc1cccc(-c2noc(CCC(=O)N[C@H]3CC(=O)N(c4ccc(F)cc4)C3)n2)c1 19656237 XGHCXQPNSHJPLW-KRWDZBQOSA-N 408.433 3.038 0 40 HGAB Cc1nc(CC(=O)N2CCC(c3ccc(C(=O)N4CCCCC4)cn3)CC2)cs1 19705874 RFTOGAWVJLUQKO-UHFFFAOYSA-N 412.559 3.421 0 40 HGAB C[C@@H](CN(C)C(=O)c1cccn(CC(=O)NC2CCCCC2)c1=O)c1ccccc1 19751416 UOQGZUZMFGXCCU-SFHVURJKSA-N 409.530 3.173 0 40 HGAB COc1ccc(NC(=O)CCc2ccc(S(=O)(=O)NC3CC3)cc2)cc1Cl 19930622 WUIJPBQNECEJHB-UHFFFAOYSA-N 408.907 3.361 0 40 HGAB CS(=O)(=O)N1C[C@H](C(=O)NC(c2ccccc2)c2ccccc2)Oc2ccccc21 19932914 OEIBBTPGUWCZJV-OAQYLSRUSA-N 422.506 3.119 0 40 HGAB CCOCCCNS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(F)cc1 20766947 WKXZEOKPQAJNFZ-UHFFFAOYSA-N 420.506 3.124 0 40 HGAB CCOC(=O)[C@H]1C(=O)N=C(N2CCc3ccccc3C2)N[C@@H]1c1ccccc1Cl 20801417 QNHXJVLZHMGCOR-RTBURBONSA-N 411.889 3.105 0 40 HGAB COc1ccc(NC(=O)CSC2=Nc3ccccc3C3=N[C@H](C)C(=O)N23)cc1OC 21643595 KNVIKFNDVKLRJM-GFCCVEGCSA-N 424.482 3.054 0 40 HGAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@H](C)N1CCN(C)CC1 22038812 YPTWRGJDQKNHPC-HNNXBMFYSA-N 401.532 3.166 0 40 HGAB CN(c1ccc(OCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1)S(C)(=O)=O 22230565 XHRHPFKRHIYPKI-UHFFFAOYSA-N 403.287 3.407 0 40 HGAB CC(=O)N(c1ccccc1)c1nc(CN2CCN(Cc3cc(C)on3)CC2)cs1 22800285 PTROTTINPQPJMO-UHFFFAOYSA-N 411.531 3.442 0 40 HGAB CC(=O)NCc1ccc(S(=O)(=O)N[C@@H](C)c2cccc(C(F)(F)F)c2)s1 23261256 LMSMBCHDXFQWOF-JTQLQIEISA-N 406.451 3.443 0 40 HGAB CSc1ccc(C)c(C(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)c1 25346346 BQSHETWBPCCKOE-UHFFFAOYSA-N 404.557 3.005 0 40 HGAB COC(=O)C[C@H](NC(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1)c1ccc(C)cc1 25601621 MMOYPMRVTPHVSF-PMACEKPBSA-N 410.470 3.147 0 40 HGAB CCCNC(=O)CN1CCN(c2ncnc3cc(-c4ccc(F)cc4)sc23)CC1 32735909 SLYOFVWBSVFGPX-UHFFFAOYSA-N 413.522 3.146 0 40 HGAB CCN(Cc1ccc(OC)c(F)c1)S(=O)(=O)c1ccc(N2CCCC2=O)cc1 32811090 AZCVJLNEYVJCPQ-UHFFFAOYSA-N 406.479 3.172 0 40 HGAB O=C(Nc1ccc(F)cc1)c1cc(-c2cccs2)n([C@H]2CCS(=O)(=O)C2)n1 33325442 CIDYNZIEVXKZQO-AWEZNQCLSA-N 405.476 3.363 0 40 HGAB CC(C)(C)NC(=O)[C@H](c1cccnc1)N(C(=O)c1csnn1)c1ccc(F)cc1 35311362 GBLVPXNVUGNQRP-KRWDZBQOSA-N 413.478 3.375 0 40 HGAB COc1c(C(=O)NCC(C)C)cn(C)c1-c1nc2cc(NC(=O)C3CC3)ccc2n1C 36369891 FREQUUNRZOLABM-UHFFFAOYSA-N 423.517 3.322 0 40 HGAB biogenic CNC(=O)c1cccc(CNC(=O)/C=C/c2ccc(OCc3ccccn3)cc2)c1 36397340 FASBDDVLIOLJKT-JLHYYAGUSA-N 401.466 3.350 0 40 HGAB COC(=O)[C@@H](CC(C)C)NC(=O)N1CCc2[nH]cnc2[C@@H]1c1cccc(Cl)c1 36593884 VGYTZWTZRHEZAQ-AEFFLSMTSA-N 404.898 3.308 0 40 HGAB Cc1cc(CN2CCN(Cc3nc(-c4ccc(C(F)(F)F)cc4)no3)CC2)no1 40040711 SPTVJSIXPZKYGV-UHFFFAOYSA-N 407.396 3.370 0 40 HGAB CN(Cc1nc2ccccc2s1)C(=O)[C@H]1CCCN1S(=O)(=O)c1ccccc1 40069117 HIAITAAGWKMLTR-QGZVFWFLSA-N 415.540 3.108 0 40 HGAB CN(C)[C@@H](CNS(=O)(=O)c1ccc2c(c1)OCCCO2)c1ccccc1Cl 47213431 DGRAEIRXRDKORM-KRWDZBQOSA-N 410.923 3.083 0 40 HGAB O=C(CN1CCN(CCOc2ccc(Cl)cc2Cl)CC1)N1CCCCCC1 52685053 MBRSXMRXWPJKEW-UHFFFAOYSA-N 414.377 3.392 0 40 HGAB O=S(=O)(NC1CCN(Cc2cc(-c3ccccc3)no2)CC1)c1cccs1 54146922 QCMVIVLIANQCBK-UHFFFAOYSA-N 403.529 3.346 0 40 HGAB CCSc1ccccc1NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 55703737 NNZZWMDGGVXFLN-UHFFFAOYSA-N 406.529 3.072 0 40 HGAB COC(=O)c1cc(OC)ccc1NS(=O)(=O)c1cc(Br)ccc1C 58004326 KXRFDGRSQKWXAU-UHFFFAOYSA-N 414.277 3.354 0 40 HGAB COc1cc(OC)cc(C(=O)NCCCN(C)CCCN(C)Cc2ccccc2)c1 59181912 MBWADNOWIMRHFY-UHFFFAOYSA-N 413.562 3.278 0 40 HGAB CC(C)(C)NC(=O)[C@H]1CSCN1C(=O)/C=C/c1ccccc1OC(F)(F)F 60348041 UKVNAJWVZNEUSS-MMQHEFTJSA-N 402.438 3.415 0 40 HGAB C[C@@](O)(CCc1ccccc1)CNC(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1 62021516 PKIYZPXIKWQPPY-LJQANCHMSA-N 410.392 3.024 0 40 HGAB O[C@@H](COc1ccc2ccccc2c1)Cn1nc(N2CCOCC2)sc1=S 65565707 VYNCXBCYBZKXFM-MRXNPFEDSA-N 403.529 3.104 0 40 HGAB COc1cc2nc(Cl)nc(N3CCN(C(=O)OC(C)(C)C)CC3)c2cc1OC 67172789 VMZLDXMPFRNQKQ-UHFFFAOYSA-N 408.886 3.358 0 40 HGAB Cc1nc(-c2ccc(Cl)cc2)n(CC(=O)Nc2cccc(F)c2)c(=O)c1CCO 67300647 UQEVSEUWXDLOBV-UHFFFAOYSA-N 415.852 3.185 0 40 HGAB COc1ccccc1OC[C@H](O)CN1CCN(c2cc(C)c3ccccc3n2)CC1 71280227 DOZWXDIISNJMNI-LJQANCHMSA-N 407.514 3.114 0 40 HGAB CCN1C(=O)[C@](O)([C@@H]2CCc3ccccc3C2=O)c2cc(Br)ccc21 72193812 PBYBVYXKGRMOFY-QRWLVFNGSA-N 400.272 3.449 0 40 HGAB COc1cc2c(cc1OC)CN(C(=O)c1cc3c(OC)ccc(OC)c3n1C)CC2 72324589 PJLJTHCPVHHXCR-UHFFFAOYSA-N 410.470 3.411 0 40 HGAB biogenic CC(C)(C)C[C@@H](NC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)c1ccc(Cl)cc1 78870165 GLWJWCOHSGLUPV-QGZVFWFLSA-N 421.950 3.431 0 40 HGAB C[C@H]1CN(CCCCNC(=O)C2(c3ccc(Br)cc3)CC2)C[C@@H](C)O1 79050756 KKBNLXVHYOBVHM-IYBDPMFKSA-N 409.368 3.486 0 40 HGAB C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)OCC(=O)c1cnc(N2CCCCC2)s1 84678453 ZFMLVBMABOIBSD-UGSOOPFHSA-N 402.472 3.088 0 40 HGAB CCNC(=O)N1CCc2ccc(NC(=O)[C@@H]3CCc4[nH]nc(C(F)(F)F)c4C3)cc21 89977457 NDZLZAOFNIKZAU-GFCCVEGCSA-N 421.423 3.264 0 40 HGAB O=C(C[C@@H]1NC(=O)N(Cc2ccccc2)C1=O)Nc1nc(-c2cccs2)cs1 96224320 PXGHBMSTDZATOK-ZDUSSCGKSA-N 412.496 3.321 0 40 HGAB CS(=O)(=O)c1ccccc1S(=O)(=O)N1CCCc2c(Cl)ccc(F)c21 97212433 XJWFJHAWWCCLIQ-UHFFFAOYSA-N 403.884 3.024 0 40 HGAB CCOC(=O)C(=CNc1cc(-c2cccc(Br)c2)n[nH]1)C(=O)OCC 100091022 ZJSASPKNTLVVFH-UHFFFAOYSA-N 408.252 3.261 0 40 HGAB Cc1cc(C)n(CCCC(=O)N2CCC[C@@H]2c2cc3nc4c(c(O)n3n2)CCCC4)n1 100139335 BXBQJBOPIPSNDH-HXUWFJFHSA-N 422.533 3.271 0 40 HGAB COC(=O)[C@H]1C[C@H](Oc2ccccc2F)CN1C(=O)c1nc2ccccc2s1 206795947 DBWMUPCLPANOOU-SWLSCSKDSA-N 400.431 3.271 0 40 HGAB CC(C)(C)OC(=O)N1Cc2ccccc2C[C@H]1C(=O)NC[C@H]1CC[C@H](C(=O)O)CC1 217589793 DANDKJUNCIVIIX-FCEWJHQRSA-N 416.518 3.356 0 40 HGAB C[C@@H](C(=O)NCCSCc1ccccc1)N(c1cccc(F)c1)S(C)(=O)=O 220468351 CXLXKYPKBKBBTQ-HNNXBMFYSA-N 410.536 3.030 0 40 HGAB CCOC(=O)c1cccc(NC(=O)c2ccc(N(CC)S(=O)(=O)CC)cc2)c1 222400888 MWGAAVDISJNDHN-UHFFFAOYSA-N 404.488 3.292 0 40 HGAB CCOC(=O)c1ccc(C)c(NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2Cl)c1 222520358 HLTJRVRDINQEJE-UHFFFAOYSA-N 424.906 3.473 0 40 HGAB CC(C)C(=O)N(Cc1ccc(F)cc1)[C@H](C)C(=O)NCc1ccc2c(c1)OCO2 222913880 LSHIUGUBEGLUSK-OAHLLOKOSA-N 400.450 3.244 0 40 HGAB COCc1cccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccc(F)cc3)CC2)c1 224356797 NRTVPSKWDURDJF-UHFFFAOYSA-N 420.506 3.153 0 40 HGAB COC(=O)c1cc(S(=O)(=O)NCc2ccc(CN3CCCC3)cc2)ccc1Cl 224516120 ACDNNDQZXGDGLI-UHFFFAOYSA-N 422.934 3.201 0 40 HGAB Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)Nc2ccc(F)c(F)c2)s1 224630295 MIIBNKAKNIIXNZ-UHFFFAOYSA-N 410.427 3.178 0 40 HGAB CC[C@@H](C(=O)Nc1ccc(N2CCCC2)cc1)N(c1ccccc1)S(C)(=O)=O 224920118 YQQCEBVDPDTTRE-FQEVSTJZSA-N 401.532 3.470 0 40 HGAB CSc1ccc(S(=O)(=O)NCCOCc2ccccc2)cc1NC(=O)C(C)C 225146791 IXMPSCKTRAJTKL-UHFFFAOYSA-N 422.572 3.498 0 40 HGAB CCOC(=O)c1cnc(NC(=S)N[C@@H](CC(=O)O)c2cccc(Cl)c2)nc1C 225226050 IQIGKYOHPWKLNX-AWEZNQCLSA-N 422.894 3.118 0 40 HGAB O=C(c1ccc(OCCN2CCCC2)cc1)N1C[C@@H](c2ccccc2)[C@@H]2CNCC[C@@H]21 257209665 BRJMTIIRCLLIDT-SDHOMARFSA-N 419.569 3.379 0 40 HGAB COc1cc(CN(C)C[C@H](O)Cn2c(C)c(C)c3ccccc32)ccc1OCCO 257281938 OROJXPXWYWZJHP-FQEVSTJZSA-N 412.530 3.131 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cccc(C)c3)C2)cc1OC 408554349 RQQWWSLPQUMDPH-MRXNPFEDSA-N 418.515 3.052 0 40 HGAB CCCCCC(=O)NC(=S)NCc1ccc(-c2nn3c(C)nnc3s2)cc1 408625703 YYZIUPOPGKVIOH-UHFFFAOYSA-N 402.549 3.232 0 40 HGAB Cc1cc(S(=O)(=O)NCc2ccc3c(c2)OCO3)ccc1NC(=O)c1ccccc1 408626246 VHWRZTFJNKTOBX-UHFFFAOYSA-N 424.478 3.455 0 40 HGAB COC(=O)c1c(C)nc(O)nc1S[C@@H](C)c1nc(N)c2c(C)c(C)sc2n1 591358353 JJNXWGWSLSAYQZ-VIFPVBQESA-N 405.505 3.334 0 40 HGAB CN1CCOc2ccccc2CCCC[C@@]2(CN(C(=O)c3ccccc3)CCO2)C1=O 643557549 XSUYJSYEOOPHFT-RUZDIDTESA-N 422.525 3.162 0 40 HGAB O=S(=O)(c1cccc2nsnc12)N1CCC(c2ccc3cccnc3n2)CC1 1889073851 PCIJINXRAMHRAJ-UHFFFAOYSA-N 411.512 3.203 0 40 HGAB Cc1cnn(CC(=O)N2CCC[C@@](O)(COc3cc(C)c(Cl)c(C)c3)CC2)c1 2037912501 MFXZMCDMKNBUHF-NRFANRHFSA-N 405.926 3.284 0 40 HGAB Cc1ccc(CNC(=O)CSc2nnc(N3C(=O)c4ccccc4C3=O)s2)cc1 709451 XQPQLMYNZILFGM-UHFFFAOYSA-N 424.507 3.056 0 40 HGAB O=C(CN(Cc1ccc(Cl)cc1)C(=O)c1csnn1)NCc1ccccc1 1346782 HQCWFYAJPSKGKN-UHFFFAOYSA-N 400.891 3.150 0 40 HGAB CSCC[C@H](NC(=O)/C(=C/c1ccc(Cl)cc1)NC(=O)c1ccco1)C(=O)O 2949444 JZNHBMVRHOSNRJ-XFNCEPBJSA-N 422.890 3.026 0 40 HGAB O=C(CCSc1ccccc1)NC(=O)COC(=O)c1ccc(OC(F)F)cc1 3285907 FLXFUHLJSIPNBP-UHFFFAOYSA-N 409.410 3.270 0 40 HGAB COC(=O)C1=C(C(=O)OC)[C@@H]2C[C@H]1[C@H]1[C@@H](c3ccccc3)N(c3ccccc3)O[C@H]21 4350244 NEDBHIHBGHFCBX-HWHBRISVSA-N 405.450 3.457 0 40 HGAB Cc1cccc(-n2ncc3c(=O)n(CC(=O)N4CCCc5ccccc54)cnc32)c1C 4479181 FKSUMMIOZXJVMZ-UHFFFAOYSA-N 413.481 3.178 0 40 HGAB CCCn1ccc2c(OCC(=O)NCCc3ccc(OC)c(OC)c3)cccc2c1=O 4584168 GJVSBURONRSVCV-UHFFFAOYSA-N 424.497 3.166 0 40 HGAB Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccco3)c(C)c2)cc1 4742103 AJPQTFSNUZCUAU-UHFFFAOYSA-N 414.483 3.392 0 40 HGAB CCOc1cccc(C(=O)Nc2cc(C(=O)OC)ccc2N2CCN(CC)CC2)c1 4749095 ZAXAJRRCVLLZRO-UHFFFAOYSA-N 411.502 3.266 0 40 HGAB CCOc1ccc(NC(=O)CSc2nnc(Cc3ccc(C)cc3)c(=O)[nH]2)cc1 5154693 ZOAGMKLWXDFPQH-UHFFFAOYSA-N 410.499 3.194 0 40 HGAB COCCCN1C(=O)c2n[nH]c(-c3ccccc3O)c2[C@H]1c1ccc(O)c(OC)c1 5343738 IXUMDSXAQBBWHO-OAQYLSRUSA-N 409.442 3.078 0 40 HGAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)Cc1coc2cc(C)ccc12 5615558 BNTCFVTVZFLOFB-UHFFFAOYSA-N 402.472 3.181 0 40 HGAB 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400.577 3.378 0 40 HGAB CNc1nc([C@H]2CCCN(CCCc3ccccc3)C2)nc2c1CN(C(C)=O)CC2 19707183 ZBXKMAJMQRGHNX-FQEVSTJZSA-N 407.562 3.235 0 40 HGAB O=C(Nc1ccc(F)cc1F)[C@H]1CCCN(S(=O)(=O)Cc2ccc(F)cc2)C1 19862885 FBWHKIKRQFPKOI-AWEZNQCLSA-N 412.433 3.284 0 40 HGAB COc1ccc(NC(=O)Cn2c(=O)cc(C(=O)N3CCCCC3)c3ccccc32)cc1 20249344 ABWHAFBBBPPKIM-UHFFFAOYSA-N 419.481 3.275 0 40 HGAB CCOC(=O)c1ccc(NC(=O)c2ccccc2N(C)S(C)(=O)=O)c(Cl)c1 20453585 RFDCSQYRNFPLOJ-UHFFFAOYSA-N 410.879 3.165 0 40 HGAB Cn1ccnc1[C@H](NC(=O)c1cccc(N2C(=O)CCC2=O)c1)c1ccc(Cl)cc1 21600958 VWGDDWVTXWKZNX-HXUWFJFHSA-N 422.872 3.246 0 40 HGAB COc1ccc([C@@H](CNC(=O)c2cc(Cl)ccc2OC)N2CCN(C)CC2)cc1 22794390 NTWROXFYBKQPBK-HXUWFJFHSA-N 417.937 3.076 0 40 HGAB CNC(=O)c1ccc(NC(=O)CN2CCN(Cc3csc4ccccc34)CC2)cc1 22933710 AKPQUAWGCFNOMA-UHFFFAOYSA-N 422.554 3.017 0 40 HGAB O=C(Nn1cnc2scc(-c3ccccc3)c2c1=O)c1cc2ccccc2c(=O)[nH]1 23007210 ORPMSBYAYOVHSJ-UHFFFAOYSA-N 414.446 3.350 0 40 HGAB CCn1c(=O)c(C)nc2cc(C(=O)N(C)Cc3cnn(Cc4ccccc4)c3)ccc21 24395791 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CCn1cnnc1-c1cccc(NC(=O)NC[C@@H](c2cccc(OC)c2)N(C)C)c1 58265359 ZCQULNFZEGIWIU-FQEVSTJZSA-N 408.506 3.398 0 40 HGAB CC(=O)Nc1cccc([C@H](C)OC(=O)c2ccc(CN3CCN(C(C)=O)CC3)cc2)c1 60770088 ABHSYJXXLBSRNG-KRWDZBQOSA-N 423.513 3.227 0 40 HGAB Cc1noc([C@H]2CCCN(C(=O)NCc3c(C)nn(Cc4ccccc4)c3C)C2)n1 61856034 KTQYAOIIKIXIIR-IBGZPJMESA-N 408.506 3.329 0 40 HGAB Cc1ccc(C)c2sc(N(C)CC(=O)Nc3ccc(S(C)(=O)=O)cc3)nc12 70974008 BQJBJNQKJFHYFI-UHFFFAOYSA-N 403.529 3.392 0 40 HGAB CN1CC[C@H](NC(=O)C2CCN(CC(F)(F)F)CC2)[C@@H]1c1ccc(Cl)cc1 89375119 MLCKUKIHEVTQGA-IRXDYDNUSA-N 403.876 3.476 0 40 HGAB Cc1nc(-c2cccs2)sc1CNC(=O)Cn1nc(-c2ccco2)ccc1=O 90592764 UVBOKXYHEWJYEO-UHFFFAOYSA-N 412.496 3.313 0 40 HGAB CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H](CO)N(C(=O)OCc1ccccc1)C2 95829413 CLKBRXCPWVLHTE-SFHVURJKSA-N 404.507 3.407 0 40 HGAB in-vitro O=C(COc1ccccc1C(=O)N1CCCO1)Nc1ccc(Br)cc1 96013633 GDZZCRMSABOMOH-UHFFFAOYSA-N 405.248 3.244 0 40 HGAB COC(=O)C[C@H](c1oc(C)cc(=O)c1O)c1cc2ccccc2n(CC(C)C)c1=O 96114762 NBYVANABBFVCOX-INIZCTEOSA-N 411.454 3.320 0 40 HGAB biogenic COC1(CNC(=O)Cc2ccc(S(=O)(=O)C(C)C)cc2)C2CC3CC(C2)CC1C3 96123868 BPRZZLGNEXSCKS-UHFFFAOYSA-N 419.587 3.369 0 40 HGAB CCCCCn1c(=O)c(C2=Nc3ccccc3S(=O)(=O)N2)c(O)c2ccccc21 100504349 APCOFTXIYFPDTP-UHFFFAOYSA-N 411.483 3.268 0 40 HGAB CNC(=O)c1sc2ncccc2c1[C@H]1CC[C@H](CNC(=O)c2cnc(C)cn2)CC1 100688414 OORPZFDUXDYVEA-GASCZTMLSA-N 423.542 3.458 0 40 HGAB C[C@H](NC(=O)c1cc2ccc(F)cc2[nH]1)c1cc(O)n2nc(C3CCOCC3)cc2n1 100769402 HCILIJMHKNZHMC-LBPRGKRZSA-N 423.448 3.440 0 40 HGAB CN1C(=O)/C(=C/c2cn(CC(=O)NCc3cccs3)c3ccccc23)N(C)C1=S 111672620 YYMSYAVINFNMSB-ZDLGFXPLSA-N 424.551 3.049 0 40 HGAB C[C@]12CC[C@H](O)C[C@@]1(O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](c3ccc(=O)oc3)CC[C@@]12O 118916758 PBSOJKPTQWWJJD-KVAOYNKTSA-N 402.531 3.357 0 40 HGAB Cc1ccc(N(CCCC(=O)NCCCN(C)c2ccccc2)S(C)(=O)=O)cc1 219631051 DZWNSVHGHCJUAJ-UHFFFAOYSA-N 417.575 3.184 0 40 HGAB CC[C@@H](C(=O)N[C@H]1CCCc2ccccc21)N(c1cccc(OC)c1)S(C)(=O)=O 220630520 YGJSZLBOLPOFAW-SFTDATJTSA-N 416.543 3.434 0 40 HGAB CCOC(=O)c1cccc(NC(=O)c2cccc(N3CCCCS3(=O)=O)c2)c1C 222557985 WCZCFQLYIFETDZ-UHFFFAOYSA-N 416.499 3.354 0 40 HGAB CCc1ccc([C@@H](C)NC(=O)CN(c2ccc3c(c2)OCO3)S(=O)(=O)CC)cc1 223059252 KZWHPFDRCSCWLV-OAHLLOKOSA-N 418.515 3.011 0 40 HGAB COC(=O)CSc1nnc(NC(=O)CSCc2ccc(Cl)cc2)s1 223137941 FGPJPYHYCXJZDR-UHFFFAOYSA-N 403.938 3.329 0 40 HGAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-c1cccnc1 223258192 ULYZDXXEGJGLPX-FGZHOGPDSA-N 420.586 3.418 0 40 HGAB COC(=O)c1cc2cc(NS(=O)(=O)c3cc4oc(=O)[nH]c4cc3C)ccc2s1 223321822 YCMGWTZWBBGNMU-UHFFFAOYSA-N 418.452 3.232 0 40 HGAB CS(=O)(=O)N(CCCC(=O)NCCc1ccc(F)cc1)c1cccc(Cl)c1 224630415 BPTOXYFKVJRATQ-UHFFFAOYSA-N 412.914 3.384 0 40 HGAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-n1cnnc1 225009209 CMULRYQQNSUKIV-PMACEKPBSA-N 407.547 3.318 0 40 HGAB CC(=O)N[C@@H]1c2ccccc2CC[C@@]12CN(Cc1ccccc1)C[C@@H]2C(=O)NC(C)C 247960599 VJMXMHSFPSMDPT-MZKUHISZSA-N 419.569 3.453 0 40 HGAB COc1ccccc1[C@@H]1CN(C(C)=O)CCN1C(=O)c1ccccc1CN1CCCC1 257252024 JTGNSTVDBCQFNW-QHCPKHFHSA-N 421.541 3.337 0 40 HGAB COc1cc(C)ccc1OCC(=O)N1[C@@H]2CN(C(C)=O)[C@@H]3CCCC[C@H]1[C@]3(C)C2 257267899 MJILGJOTQKEVCF-XKPYVIEYSA-N 400.519 3.163 0 40 HGAB C[C@H]1CCCCN1CCNC(=O)[C@@H]1C[C@H]2CC[C@@]1(C)C[C@]21NC(=O)c2ccccc2N1 257294284 QTKGBJSIUXKRNT-FYHNJHMJSA-N 424.589 3.355 0 40 HGAB COc1ccc(-c2cccc([C@H]3CN(C(=O)CCN4CCC(C)=N4)CCO3)n2)cc1 257321122 WAEDXQVQHIXCIY-JOCHJYFZSA-N 408.502 3.129 0 40 HGAB CNC(=O)c1sc2ncccc2c1[C@H]1CC[C@H](CNC(=O)C(C)(C)OC)CC1 257367354 HCYCEUCTZLEHNS-HDJSIYSDSA-N 403.548 3.471 0 40 HGAB Cc1cccc(N([C@@H](C)C(=O)N[C@H](C)COc2ccccc2C)S(C)(=O)=O)c1 260593118 WUMSUVHYPKFRKQ-MSOLQXFVSA-N 404.532 3.042 0 40 HGAB COc1ccc(OC)c(NC(=O)c2ccc(N3C(=O)[C@@H]4[C@H]5CC[C@@H](C5)[C@H]4C3=O)cc2)c1 408671809 LFYXXXIUAYOBPF-VUEDXXQZSA-N 420.465 3.492 0 40 HGAB O=C(CN[C@H](C1CC1)[C@]1(CO)CCCO1)N1c2ccccc2CCc2ccccc21 550503486 NZCZZPLCRYFAJX-JWQCQUIFSA-N 406.526 3.360 0 40 HGAB O=C(O)CCC(=O)c1cccc(NS(=O)(=O)CCC2Cc3ccccc3C2)c1 574986836 FTPNPAWDJCLSGA-UHFFFAOYSA-N 401.484 3.281 0 40 HGAB COC1(c2nc(C3CCOCC3)no2)CCN(Cc2csc(C3CC3)n2)CC1 576842790 FATPHZZMBPGLDK-UHFFFAOYSA-N 404.536 3.435 0 40 HGAB CC(C)(C)c1cn(C2C[C@@H]3CC[C@H](C2)N3S(=O)(=O)CCc2ccccc2)nn1 1888882028 UXKAPZAIPIDLBL-DFNIBXOVSA-N 402.564 3.316 0 40 HGAB COc1ccccc1S(=O)(=O)N1CCC[C@H](N(C)c2ncnc(C(C)C)c2F)C1 1888897197 LTNUPJZLXLNGJP-HNNXBMFYSA-N 422.526 3.037 0 40 HGAB Brc1ccc2nc(N3CCN(c4ccc5nccn5n4)CC3)sc2c1 1888942787 NTHKZEOUCWSFQX-UHFFFAOYSA-N 415.320 3.428 0 40 HGAB Brc1ccc2ncnc(N3CCC[C@@H](COc4cnccn4)C3)c2c1 2298229058 VPGXOATVAQIVPJ-CYBMUJFWSA-N 400.280 3.478 0 40 HGAB Cc1ccc2cc([C@H](c3nnnn3Cc3ccc(F)cc3)N3CCCC3)c(=O)[nH]c2c1 908891 IYWAEUYDSUXXHT-OAQYLSRUSA-N 418.476 3.196 0 40 HGAB COc1cccc(NC(=S)N(CCO)Cc2cc3cc(C)c(C)cc3[nH]c2=O)c1 920091 ANZIHXJDZSQUFB-UHFFFAOYSA-N 411.527 3.345 0 40 HGAB in-vitro Cc1cc(C)nc(SC2=C(N3CCCCC3)C(=O)N(Cc3ccccc3)C2=O)n1 959906 VIROAZVLGGOPFM-UHFFFAOYSA-N 408.527 3.452 0 40 HGAB O=C(c1ccc(C(F)(F)F)n(Cc2ccc(Cl)cc2)c1=O)N1CCOCC1 1394298 UOEDZBVXLDYOEV-UHFFFAOYSA-N 400.784 3.041 0 40 HGAB Cc1c(C(=O)OC(C)C)sc2ncn(CC(=O)OCCc3ccccc3)c(=O)c12 1784814 YVENEUFAWOPPBG-UHFFFAOYSA-N 414.483 3.118 0 40 HGAB COc1cc2oc(=O)c(CC(=O)N[C@H](C(=O)O)c3ccccc3)c(C)c2cc1Cl 2116998 HZRJBYGCMKVULA-IBGZPJMESA-N 415.829 3.248 0 40 HGAB biogenic COCCOC(=O)c1c(C)n(C)c2ccc(OS(=O)(=O)c3ccc(F)cc3)cc12 2324345 NTRMABWRHZKVJI-UHFFFAOYSA-N 421.446 3.197 0 40 HGAB biogenic CCCCNC(=O)c1ccc(Cn2c(=S)[nH]c3cc4c(cc3c2=O)OCO4)cc1 2975391 AWGBLYMFCIJAMR-UHFFFAOYSA-N 411.483 3.366 0 40 HGAB COc1ccc(C)cc1-n1nnnc1SCC(=O)NCCc1ccc(Cl)cc1 3491405 VGLKJCOIXBZSNM-UHFFFAOYSA-N 417.922 3.084 0 40 HGAB O=C(Cn1cnc2c(nnn2-c2cccc(Cl)c2)c1=O)c1ccc(Cl)cc1 4266851 CNMFVWADUGACPU-UHFFFAOYSA-N 400.225 3.167 0 40 HGAB CCCNC(=O)COc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2)cc1Cl 6138666 CROOCHPCCXWEFP-AWEZNQCLSA-N 410.923 3.285 0 40 HGAB CCCC(=O)NC(=S)Nc1ccccc1N1CCN(C(=O)c2ccccc2)CC1 6515991 AXSFPMZZUUHMLG-UHFFFAOYSA-N 410.543 3.262 0 40 HGAB CCCNS(=O)(=O)c1cccc(C(=O)N[C@H](C)c2ccc(-n3ccnc3)cc2)c1 6647934 ZDQCSSWZOBKYNC-MRXNPFEDSA-N 412.515 3.052 0 40 HGAB CCC[C@@H](C)NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(OC)c1 6945236 BIXHPKHZYLJIRO-MRXNPFEDSA-N 420.531 3.204 0 40 HGAB C[C@H](CNC(=O)Nc1ccc(S(N)(=O)=O)cc1)c1nc2ccccc2n1C(F)F 9112681 WCNFEJRUJGIMPY-LLVKDONJSA-N 423.445 3.004 0 40 HGAB Cc1cccc(NC(=O)CNC(=O)CSc2nnc(NCC(C)C)s2)c1C 9256097 FYVBIDITUKLGFL-UHFFFAOYSA-N 407.565 3.070 0 40 HGAB CCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(N3CCCCCC3)cc2)c1=O 9379432 LDKLIFUBNNHCJW-UHFFFAOYSA-N 420.513 3.202 0 40 HGAB Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NCc3ccccc3)Oc3ccccc32)cc1 9699485 KSFZXIKAUYZHKG-QFIPXVFZSA-N 422.506 3.268 0 40 HGAB CCOC(=O)c1ccccc1NC(=O)[C@H](C)N(c1cc(C)ccc1C)S(C)(=O)=O 10332827 JROLQBGCAUSEAM-INIZCTEOSA-N 418.515 3.273 0 40 HGAB CCOC(=O)c1ccc(NC(=O)CN(c2c(C)cccc2C)S(C)(=O)=O)c(C)c1 10446847 VDPUOHFGGMGHHG-UHFFFAOYSA-N 418.515 3.193 0 40 HGAB Cc1cc(C)c(C)c(S(=O)(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)c1C 10516721 TUUQDSDCMBFPOW-UHFFFAOYSA-N 408.545 3.162 0 40 HGAB COCCNC(=O)c1ccccc1NC(=O)COc1ccc(Br)c(C)c1 10673104 LOUGTNOYRKNDQZ-UHFFFAOYSA-N 421.291 3.151 0 40 HGAB CCn1c(=O)n(CCC(=O)Nc2ccc(N3CCCC3=O)c(C)c2)c2ccccc21 11760110 UYEUMQCBECOQGA-UHFFFAOYSA-N 406.486 3.287 0 40 HGAB O=C(CCc1c[nH]c2ccccc12)NCCNC(=O)CCc1c[nH]c2ccccc12 12296361 WMEMGRVMDKPQMM-UHFFFAOYSA-N 402.498 3.447 0 40 HGAB biogenic O=C(CN(C(=O)c1csnn1)c1ccccc1Cl)NCCc1ccccc1 12472238 CCELCNPZKDLPJG-UHFFFAOYSA-N 400.891 3.197 0 40 HGAB Nc1nc(COC(=O)c2c[nH]nc2-c2ccccc2)nc(Nc2ccc(F)cc2)n1 12556723 HCZXUCJSYSVOPJ-UHFFFAOYSA-N 405.393 3.084 0 40 HGAB O=C(Nc1ccc2c(c1)OCCCO2)[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1 12567710 XUJIZXLUHZKBCB-OAHLLOKOSA-N 400.862 3.489 0 40 HGAB O=C(CN1CCN(c2ccccc2O)CC1)N(Cc1ccccc1)Cc1ccco1 12597953 WHTUDIVRLJIZFU-UHFFFAOYSA-N 405.498 3.336 0 40 HGAB CCc1ccc([C@H](NC(=O)Cn2nc3n(c2=O)CCCCC3)c2cccc(F)c2)cc1 12739345 MPLOUAPHQPAYDN-QHCPKHFHSA-N 422.504 3.379 0 40 HGAB Cc1nc2c(cnn2C(C)C)c(C)c1CCC(=O)Nc1cccc(-n2cnnn2)c1C 12933909 CJOQPQJFHQWVDZ-UHFFFAOYSA-N 418.505 3.484 0 40 HGAB CCOC(=O)C1=C(CN(Cc2ccccc2)C2CC2)NC(=O)N[C@H]1c1ccc(C)o1 13003232 ABPKTVFCLFXQGW-NRFANRHFSA-N 409.486 3.424 0 40 HGAB COc1ccc(CCc2nnc(NC(=O)COc3ccc4c(c3)OCO4)s2)cc1 13847904 WMCKIXXWOCHFQR-UHFFFAOYSA-N 413.455 3.078 0 40 HGAB Cc1nc(-c2ccc(CNC(=O)CCn3c(=O)n(C)c4ccccc43)cc2)cs1 14250929 DVLPANSAVDUWFL-UHFFFAOYSA-N 406.511 3.478 0 40 HGAB NS(=O)(=O)c1cc(C(=O)NCCCSc2ccc(F)cc2)ccc1Cl 15497152 HXAWNKJWMBKGMP-UHFFFAOYSA-N 402.900 3.039 0 40 HGAB O=C(NCCSc1ccccc1)c1ccccc1S[C@@H]1CCS(=O)(=O)C1 15833488 FXQNWEFPUSVTDX-MRXNPFEDSA-N 407.582 3.488 0 40 HGAB Cc1cccc(NC(=O)C(=O)NC[C@H](c2cccnc2)N2CCc3ccccc3C2)c1 15882583 UCNQYPNMHCMEPQ-HSZRJFAPSA-N 414.509 3.244 0 40 HGAB Cc1cc(N2CCCC2)nc(N2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)n1 17012445 HMUQLVCBSPVLCJ-UHFFFAOYSA-N 419.451 3.366 0 40 HGAB O=C(c1ccc(F)cc1)[C@@H]1CN(Cc2ccccc2)C[C@H]1C(=O)N1CCCOCC1 19372509 MCDFXQGYZIOSCK-FGZHOGPDSA-N 410.489 3.006 0 40 HGAB CC1CCC(CNC(=O)C2CCN(c3ncnc4ccccc34)CC2)(N(C)C)CC1 19495939 ZREYZZGJIPVZJA-UHFFFAOYSA-N 409.578 3.473 0 40 HGAB CCOc1cc(CN2CC[C@H](c3nc(-c4cccnc4)cc(=O)[nH]3)C2)ccc1OC 19531924 JXUYLRWETJXQMT-SFHVURJKSA-N 406.486 3.229 0 40 HGAB Cc1cn2c(=O)c(C(=O)NCC3(N4CCCCC4)CCC(C)CC3)cnc2s1 19660224 WZIDHJYBFDSZEE-UHFFFAOYSA-N 402.564 3.229 0 40 HGAB Cc1nc2ccccc2c(=O)n1CC(=O)NC[C@H](c1ccccc1)N1CCCCC1 19664976 ZTBCNGNIMACOOT-JOCHJYFZSA-N 404.514 3.048 0 40 HGAB C[C@@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(c2ccc(C(N)=O)c(N)n2)CC1 19765767 RGGXKDLMGMNQCL-ZDUSSCGKSA-N 400.910 3.001 0 40 HGAB CCN(c1ccc(OCC(=O)NC2CCCC2)cc1)S(=O)(=O)c1ccccc1 19937894 QLIRGXTYLNJRKI-UHFFFAOYSA-N 402.516 3.339 0 40 HGAB O=C(N[C@@]1(C(F)(F)F)N=C(c2ccccc2)N(Cc2ccccc2)C1=O)C1CC1 19939454 GXUAJGQXGDUDSA-FQEVSTJZSA-N 401.388 3.260 0 40 HGAB COc1cc2ncn(CC(=O)c3ccc(Br)cc3)c(=O)c2cc1OC 20738936 QQKBSKZTUTXPFD-UHFFFAOYSA-N 403.232 3.059 0 40 HGAB CCS(=O)(=O)c1ccc(O)c(NC(=O)CCc2ncc(-c3ccccc3)o2)c1 21399538 UJIFLCXZDDJURS-UHFFFAOYSA-N 400.456 3.412 0 40 HGAB CCCC(=O)N1CCN(c2ccc(Cl)cc2NC(=S)NC(=O)C(C)C)CC1 21577564 FWEUZSKZQUAZJJ-UHFFFAOYSA-N 410.971 3.258 0 40 HGAB C[C@H]1C[C@@H](C)CN(Cc2csc(NC(=O)c3ccc(N4CCOCC4)nc3)n2)C1 22296759 FBXXHBVNUYDIFB-IYBDPMFKSA-N 415.563 3.105 0 40 HGAB CCOC(=O)C1CCN([C@@H](c2ccc(F)cc2)c2sc3nc(C)nn3c2O)CC1 23157466 PHNHPXURGLYWDY-INIZCTEOSA-N 418.494 3.308 0 40 HGAB COc1cccc(CN(C)C(=O)CCn2c(=O)oc3cc(Cl)ccc32)c1OC 23528294 DDYZCWCWLYNYFC-UHFFFAOYSA-N 404.850 3.314 0 40 HGAB Cc1nn(-c2ccccc2)c2sc(C(=O)N3CCN(C[C@H]4CCCO4)CC3)cc12 23907991 XFRDRJIZUXJOCG-GOSISDBHSA-N 410.543 3.332 0 40 HGAB CN1C(=O)c2ccc(NC(=O)/C=C/c3cc(Br)ccc3F)cc2C1=O 24020859 OIYFXFKRPRKBIS-FARCUNLSSA-N 403.207 3.466 0 40 HGAB CCOc1ccc(NC(=O)c2cc(C3CC3)on2)cc1S(=O)(=O)N1CCCCC1 25938484 GYGPQBLQZHOVBC-UHFFFAOYSA-N 419.503 3.378 0 40 HGAB O=C(CCCNC(=O)C12CC3CC(CC(C3)C1)C2)NC[C@@H]1COc2ccccc2O1 25984921 SZBBWDIITTXADN-LAHWMRIESA-N 412.530 3.055 0 40 HGAB COc1ccc(NC(C)=O)cc1NC(=O)[C@@H](C)Nc1ccc2c(c1)OC(F)(F)O2 30006000 RFJHMRYBUANMCK-SNVBAGLBSA-N 407.373 3.414 0 40 HGAB O=C(NCc1ccccc1CN1CCCCC1)c1ccc(=O)n(Cc2ccccc2)n1 30551794 AKUJDBGQTGUTKE-UHFFFAOYSA-N 416.525 3.208 0 40 HGAB CCOc1cc2c(cc1NC(=O)[C@H]1CC(=O)N(c3cccc(OC)c3)C1)O[C@@H](C)C2 32759199 YEWAWOMXNUMUGH-HOCLYGCPSA-N 410.470 3.409 0 40 HGAB COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)C1CCN(C(C)=O)CC1)CC2 32970869 AAGSFBSYEJCSAU-DEOSSOPVSA-N 422.525 3.436 0 40 HGAB O=C(CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)Nc1cc(F)ccc1F 33430363 CTEQZOXUTNWSEA-UHFFFAOYSA-N 421.403 3.399 0 40 HGAB CCN(CC)C(=O)[C@@H]1CCCN(C(=S)Oc2ccc3nc(C)c(C)nc3c2)C1 33623088 XBRPLJUNIHKHKN-MRXNPFEDSA-N 400.548 3.491 0 40 HGAB O=C1N=C(O)/C(=C\NN2CCCC[C@H]2c2cccnc2)C(=O)N1Cc1ccccc1 36023040 YVIMYHFZDADHDL-ZSFFSCSXSA-N 405.458 3.116 0 40 HGAB biogenic O=C(CN1CCN(C(=O)COc2ccc(Cl)cc2Cl)CC1)c1cccs1 36708304 IXIJRDGEHSPBMS-UHFFFAOYSA-N 413.326 3.461 0 40 HGAB Cc1noc(C)c1S(=O)(=O)N1CCN(Cc2csc(C3CCCCC3)n2)CC1 40105733 VGOWAAAYSHDJOY-UHFFFAOYSA-N 424.592 3.302 0 40 HGAB O=C(CCS(=O)(=O)C1CCCC1)NCc1cccnc1Oc1cccc(F)c1 40134195 SRTRJAVBTPIQFL-UHFFFAOYSA-N 406.479 3.377 0 40 HGAB CCc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(Nc4ccccc4)[nH]c(=O)c32)cc1 40399175 QRJVASPVDVWMLT-MRXNPFEDSA-N 403.442 3.140 0 40 HGAB Cc1ccc([C@H](C)NC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(C)ccc3O2)c(C)c1 44935084 JRCVXYOWOQXHPI-OXJNMPFZSA-N 402.516 3.016 0 40 HGAB COCCNC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1Cl 55637358 CXMWKHGZVSPNCE-UHFFFAOYSA-N 403.287 3.170 0 40 HGAB CC(C)(C)OC(=O)NC1CCN(C(=O)c2cn(-c3ccc(Cl)cc3)nn2)CC1 57509237 QMCRMVIGTQLKPU-UHFFFAOYSA-N 405.886 3.050 0 40 HGAB C[C@@H](OC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1)C(=O)c1ccc(F)cc1 58030106 UWTVGJMBGLALCK-BEFAXECRSA-N 419.474 3.184 0 40 HGAB O=C(Nc1cccc(N2CCOC2=O)c1)N[C@H](Cc1ccccc1)[C@@H](O)C(F)F 58345561 SJFVZAPIUOGPKU-IAGOWNOFSA-N 405.401 3.002 0 40 HGAB CCCCCNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(OC)cc1 60510128 WQBLNSBURCTSOC-UHFFFAOYSA-N 404.532 3.193 0 40 HGAB CCc1cccc(C)c1NC(=O)[C@@H]1CCN(S(C)(=O)=O)c2cc(C)ccc2O1 64988655 MACSROLHQXOIFB-IBGZPJMESA-N 402.516 3.422 0 40 HGAB Cc1noc(CN2CCC([C@@H]3CCCCCN3S(=O)(=O)c3ccccc3)CC2)n1 69876569 IAHGOUUDPLSFQO-FQEVSTJZSA-N 418.563 3.224 0 40 HGAB COc1ccc([C@@H]2[C@@H](C(=O)NCCc3ccccn3)c3ccccc3C(=O)N2C)cc1 79479273 UEMFGIURFUIYFD-XZOQPEGZSA-N 415.493 3.360 0 40 HGAB CC1=CCN(C(=O)c2cccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)c2)CC1 89919766 LJYFEACGGTVKRQ-UHFFFAOYSA-N 414.483 3.051 0 40 HGAB COCCOc1ccccc1C(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C 95408757 UFHCVKVXCCPFBB-SJORKVTESA-N 404.507 3.326 0 40 HGAB CC(=O)N1CCN(Cc2ccc(NC(=O)N(C)CCOc3ccc(C)cc3)cc2)CC1 95992689 OGMGBZGSLNFFSM-UHFFFAOYSA-N 424.545 3.202 0 40 HGAB COC(=O)CCSc1ncccc1NS(=O)(=O)c1cc(C)ccc1Cl 96013530 HCHLXFNVSJMYOF-UHFFFAOYSA-N 400.909 3.499 0 40 HGAB CCc1ccc(S(=O)(=O)N2CC[C@]3(C[C@@H]3C(=O)Nc3cccc(F)c3)C2)cc1 96227266 QZQJKKDRPXXYTJ-CTNGQTDRSA-N 402.491 3.428 0 40 HGAB CNC(=O)C[C@@H]1CC2(CCN(S(=O)(=O)c3cccs3)CC2)c2ccccc21 96241903 WQBGNRIIRWTQJA-OAHLLOKOSA-N 404.557 3.094 0 40 HGAB CCC[C@@H](c1nnnn1C[C@@H]1CCCO1)N1CCN(c2cccc(Cl)c2)CC1 96299530 DLOHUQLFLSYEHQ-OALUTQOASA-N 404.946 3.169 0 40 HGAB COc1ccc(/C=C2/SC(=O)N(CCNC(=O)Cc3ccc(C)cc3)C2=O)cc1 96878918 KDFFNGHFLNYUAK-CPNJWEJPSA-N 410.495 3.399 0 40 HGAB CCc1sc(C2=N/C(=C/c3ccc(OCC(=O)O)c(OC)c3)C(=O)O2)cc1C 96997856 QTCPNWJNGQUPBT-MDWZMJQESA-N 401.440 3.435 0 40 HGAB COc1cc(CNCC2(N[C@H](C)c3ccccc3)CCOCC2)cc2c1OCCO2 97002587 DSWFZCRDDVWXDO-GOSISDBHSA-N 412.530 3.456 0 40 HGAB O=C1N[C@@]2(C[C@@H]3CC[C@@H]2C[C@@H]3C(=O)N2CCC(=O)[C@H]3CCCC[C@@H]32)Oc2ccccc21 100181159 PTQZIMJJUTXQOV-YTFMKJNFSA-N 422.525 3.302 0 40 HGAB O=C(COC(=O)c1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1)c1ccc(F)cc1 101226707 HQTZQRBVOIYZHP-SNHGZMDHSA-N 419.408 3.177 0 40 HGAB O=C1[C@H]2C(c3ccccc3Cl)=NO[C@H]2C(=O)N1c1ccc(Br)cc1 101359372 KJXVBINEFMPFBK-DZGCQCFKSA-N 405.635 3.395 0 40 HGAB CC(C)(C)OC(=O)[C@@H]1C(=O)C[C@@](C)(O)[C@H](C(=O)OC(C)(C)C)[C@@H]1c1cccc(O)c1 101998755 AGQCMGOCQVNZSM-PRHHBONVSA-N 420.502 3.115 0 40 HGAB CCOc1ccc(CCC2CCN(C(=O)CN3C(=O)[C@H]4CC=CC[C@H]4C3=O)CC2)cc1 102588251 OTLZTLZZIRUJFP-SZPZYZBQSA-N 424.541 3.208 0 40 HGAB CCn1[nH]cc/c1=N\C(=O)c1ccc(Cl)c(S(=O)(=O)N(C)c2ccccc2)c1 105073577 MVIYKPOAZSCPNE-RELWKKBWSA-N 418.906 3.056 0 40 HGAB CN1CC[C@H](NC(=O)C2CCN(CC(F)(F)F)CC2)[C@H]1c1ccc(Cl)cc1 107541944 MLCKUKIHEVTQGA-DLBZAZTESA-N 403.876 3.476 0 40 HGAB Cc1ccccc1CSCCNC(=O)[C@@H](C)N(c1cccc(F)c1)S(C)(=O)=O 220473398 IZLSETTYVNXFIY-MRXNPFEDSA-N 424.563 3.338 0 40 HGAB C[C@H](C(=O)NCCCc1ccccc1Cl)N(c1cccc(F)c1)S(C)(=O)=O 220482076 BZMBXIRAYXQSIP-CQSZACIVSA-N 412.914 3.383 0 40 HGAB COC(=O)c1cn(S(=O)(=O)c2cc(Br)ccc2OC)c2ccccc12 222649094 QZHFOTFXVDEXJB-UHFFFAOYSA-N 424.272 3.436 0 40 HGAB Cc1ccc(CN(C)S(=O)(=O)c2nnc(NC(=O)c3ccc(C)cc3)s2)cc1 223778550 FUNUXHTUIIXGMT-UHFFFAOYSA-N 416.528 3.228 0 40 HGAB CS(=O)(=O)N(CC(=O)Nc1ccc(Cc2ccncc2)cc1)c1cccc(F)c1 223836219 QGFYULBOKWZGIQ-UHFFFAOYSA-N 413.474 3.216 0 40 HGAB CCC[C@@H](C)NC(=O)c1ccc(NS(=O)(=O)c2ccc(OC)c(OC)c2)cc1 223991189 SIPYDDFDLGFREU-CQSZACIVSA-N 406.504 3.423 0 40 HGAB CC(=O)N1CCCc2cc(S(=O)(=O)NCCOc3ccc(C)c(Cl)c3)ccc21 224185291 JNTDAGOJEPCFMG-UHFFFAOYSA-N 422.934 3.305 0 40 HGAB COc1cc(N2CCN(c3ccccc3)CC2)nc(NC(=S)NC2CCCC2)n1 226005019 IFYMKCBPEBFSIK-UHFFFAOYSA-N 412.563 3.041 0 40 HGAB COc1ccc(-c2nc3sc(=Cc4c(F)cccc4Cl)c(=O)n3n2)cc1OC 254798714 ZMUQJTOIHMWIIB-UHFFFAOYSA-N 417.849 3.175 0 40 HGAB CCC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccc(OCCO)c(OC)c4)OCC[C@@]31C2 257286122 PKKBBXDWFBHOSH-URWILZMRSA-N 417.546 3.475 0 40 HGAB O=C([C@@H]1C[C@H]2C=C[C@H]1C21CC1)N1CCC[C@H]([C@@H]2C[C@H](C(F)F)n3ncnc3N2)C1 257298025 RJUQHNSGOGRRGE-MHKQFDIHSA-N 403.477 3.109 0 40 HGAB Cc1ccc(S(=O)(=O)Nc2cccc3ccccc23)cc1C(=O)N1CCOCC1 408605558 NAESDCFAFYMOSV-UHFFFAOYSA-N 410.495 3.421 0 40 HGAB CCCCNS(=O)(=O)c1ccc(OCC(=O)NCc2ccccc2)c(Cl)c1 408625402 SQXVIHMBEPBCPD-UHFFFAOYSA-N 410.923 3.114 0 40 HGAB CCOc1ccc(NC(=O)COc2ccc(S(=O)(=O)NCC(C)C)cc2)cc1 409196354 UDVVQJQKRVFCEU-UHFFFAOYSA-N 406.504 3.037 0 40 HGAB C[C@H](c1ccc(C(F)(F)F)cc1)n1c(=O)oc2cc(S(=O)(=O)N(C)C)ccc21 502643636 WJUPCLBVJMZQAV-LLVKDONJSA-N 414.405 3.473 0 40 HGAB COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N[C@H](C)C(=O)N(C)C)c(OC)c1 513022668 XDOKAOYUVBCQRA-OAHLLOKOSA-N 423.513 3.378 0 40 HGAB COc1cccc(-c2ccc3c(c2)O[C@H]2CN(C4CCOCC4)C[C@H]2N(C)C3=O)c1 514288848 CKIHQRRSMIZEDF-GGAORHGYSA-N 408.498 3.058 0 40 HGAB biogenic,in-vitro CCc1nnnn1-c1ccccc1NC(=O)C1(c2cncc(Br)c2)CC1 542140771 NGDLQOURXXAZSJ-UHFFFAOYSA-N 413.279 3.053 0 40 HGAB O=S(=O)(NC[C@@H](O)c1ccc(-c2cccs2)s1)c1ccc2c(c1)CCO2 585147901 GUGPDMNFEYYEQZ-CQSZACIVSA-N 407.538 3.423 0 40 HGAB NC(=O)C[C@@]1(COc2cccc(Cl)c2)CN(Cc2cccc3[nH]ccc23)CCO1 585272266 MQNHLCSXEOJGBT-QFIPXVFZSA-N 413.905 3.347 0 40 HGAB Cc1ccccc1OC[C@]1(O)COCCN(C[C@]2(O)CC[C@@H](C(C)(C)C)CC2)C1 585287600 PLEPWSABVDIVHH-FGCOXFRFSA-N 405.579 3.405 0 40 HGAB Cc1cc(C)nc(Nc2cccc([C@H]3CCCN(C(=O)/C=C/c4ccnn4C)C3)n2)n1 585292744 SDVGTJGZFKSASW-BBVFFXRHSA-N 417.517 3.385 0 40 HGAB O=C1NCC2(CCCCCCOc3ccccc31)CCN(C(=O)Cn1ccnc1)CC2 643558134 JUHCBRXXWMZXSC-UHFFFAOYSA-N 424.545 3.265 0 40 HGAB Cn1c(OC[C@H]2CC[C@H](C(F)(F)F)CC2)nn2c(C3CCOCC3)ncc2c1=O 1857523569 LNELWUPBSLZUIQ-MQMHXKEQSA-N 414.428 3.070 0 40 HGAB O=C(Nc1ccccn1)C1=C(c2ccccc2)NC(=S)N[C@H]1c1ccc(O)cc1 956720 GCDLTYOEOXGXSI-FQEVSTJZSA-N 402.479 3.356 0 40 HGAB COc1ccc(C(=O)N[C@H]2CCCc3ccccc32)cc1S(=O)(=O)N1CCCC1 3435272 YUXMFPLOBSCQRZ-IBGZPJMESA-N 414.527 3.287 0 40 HGAB CCOC(=O)c1ccc(NC(=O)CSc2nnc(NC(=O)C(C)C)s2)cc1 4077860 AJISIPLFPXLZTO-UHFFFAOYSA-N 408.505 3.040 0 40 HGAB Cc1cc(C)c(OCC(=O)N(Cc2ccccc2)[C@@H]2CCS(=O)(=O)C2)c(C)c1 4164009 UVEHCIGDMBAROE-HXUWFJFHSA-N 401.528 3.207 0 40 HGAB O=C(CSc1ncnc2c1nnn2Cc1ccc(F)cc1)Nc1ccccc1F 4166431 RVBOOPZJVMTLEX-UHFFFAOYSA-N 412.425 3.279 0 40 HGAB O=C(NCc1ccc(F)cc1)[C@H](c1cccs1)N(C(=O)c1csnn1)C1CC1 4411477 LBILJZJNXRCWAT-KRWDZBQOSA-N 416.503 3.401 0 40 HGAB CC(C)Oc1ccc(C(=O)Oc2coc(CSc3nncn3C)cc2=O)cc1 4518859 RCJVXFVWYNCMQK-UHFFFAOYSA-N 401.444 3.067 0 40 HGAB O=C(CN1C(=O)C2(CCCC2)N=C1O)NCCC(c1ccccc1)c1ccccc1 4547959 DCTJOSKNMSWHCY-UHFFFAOYSA-N 405.498 3.394 0 40 HGAB CCOCCn1ccc2c(OCC(=O)Nc3ccccc3OCC)cccc2c1=O 4584365 MVOCECLJWDKUPN-UHFFFAOYSA-N 410.470 3.454 0 40 HGAB O=C1Oc2ccc(Br)cc2[C@@H]2CC(=O)N(Cc3ccccc3)C(=O)[C@H]12 4653739 PIOOFNUGFUFAHD-WMLDXEAASA-N 400.228 3.027 0 40 HGAB CCN(CC)C(=O)CSc1nnc(CNC(=O)c2ccc(C(C)(C)C)cc2)o1 5107360 FHILERXXQIKRTA-UHFFFAOYSA-N 404.536 3.258 0 40 HGAB CC(C)Oc1cccc(C(=O)NC(=S)Nc2sc3c(c2C(N)=O)CCC3)c1 6263070 HGONCDFXXXLDTR-UHFFFAOYSA-N 403.529 3.250 0 40 HGAB CCOC(=O)[C@H](C(=O)CSc1nncn1-c1ccccc1)c1nc(C)cs1 6550941 WGGGDHKLLIMILQ-OAHLLOKOSA-N 402.501 3.040 0 40 HGAB CCOC(=O)C1CCN(C(=S)Nc2nc3ccc(C(=O)OC)cc3s2)CC1 6891694 FXAGSKCIFRRRTF-UHFFFAOYSA-N 407.517 3.055 0 40 HGAB C[C@@H]1Cc2cc(C(=O)CSc3ccc4c(c3)OCCO4)ccc2N1S(C)(=O)=O 7439247 WBWXTEFUXDVTDK-CYBMUJFWSA-N 419.524 3.143 0 40 HGAB COc1ccc(OCc2nnc(SCC(=O)Nc3cccc(OC)c3)o2)cc1 7604947 MCUABQQTSMTZQR-UHFFFAOYSA-N 401.444 3.397 0 40 HGAB COc1ccc(-c2noc(CN3C(=O)N[C@](C)(c4ccc(Cl)cc4)C3=O)n2)cc1 7989142 UDOQWXDKFRNZTH-HXUWFJFHSA-N 412.833 3.366 0 40 HGAB O=C(c1cc2cc(Cl)ccc2o1)N1CCN(S(=O)(=O)c2cccs2)CC1 8191585 ZOHMUCRMULYYGN-UHFFFAOYSA-N 410.904 3.294 0 40 HGAB CCOC(=O)c1c(C)oc2ncn(Cc3nc(-c4cccc(Cl)c4)no3)c(=O)c12 8252427 ZJDQMEKZATUJSR-UHFFFAOYSA-N 414.805 3.226 0 40 HGAB C[C@@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O)c1ccc2c(c1)CCCC2 9058096 BFSUAXQRAAFZME-MYYSRTQBSA-N 423.488 3.349 0 40 HGAB C[C@H](Sc1nnc(C2CC2)n1-c1ccccc1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 9205974 HVOWKGOZXFXILY-LBPRGKRZSA-N 420.498 3.434 0 40 HGAB COc1ccc2c(c1)[C@H]1C[C@@](C)(O2)N(C)C(=O)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 9407622 FYFHGMWBQDVCQU-IMFGXOCKSA-N 421.902 3.245 0 40 HGAB COc1cccc(-c2nnn(CC(=O)Nc3ccc4c(c3)OC3(CCCCC3)O4)n2)c1 9578291 WNYOSGKAOHZOKP-UHFFFAOYSA-N 421.457 3.419 0 40 HGAB Cc1cccc(C)c1NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(Br)cc1 10041428 BHVPGMHCVVYZNS-CYBMUJFWSA-N 411.321 3.371 0 40 HGAB Cc1ccc2nc(-c3ccc(NC(=O)COC(=O)c4nccnc4N)cc3)sc2c1 10141221 OMKRFRFHKOGIMR-UHFFFAOYSA-N 419.466 3.439 0 40 HGAB COc1ccc2cnc(C3CCN(CC(=O)Cn4nc(C)nc4C)CC3)cc2c1C 12188162 INUKGNRYOKEDTH-UHFFFAOYSA-N 407.518 3.209 0 40 HGAB CC[C@H]1Oc2ccc(C(=O)c3ccco3)cc2N(CC(=O)N2CCCC[C@@H]2C)C1=O 12241943 BYFYLJVGHKQBMM-MAUKXSAKSA-N 410.470 3.416 0 40 HGAB O=C(c1nc(-c2ccc(F)cc2)no1)N1CCN(c2nsc3ccccc23)CC1 12391761 GQYSRZMQJRBCQT-UHFFFAOYSA-N 409.446 3.448 0 40 HGAB Cc1cc(C)c(S(=O)(=O)N2CCN(c3ccc(-c4ccco4)nn3)CC2)c(C)c1 12443520 UONQWKAFCSPODG-UHFFFAOYSA-N 412.515 3.173 0 40 HGAB O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1cccc2cccnc12 12560649 WLLFKYJGXCIUMK-UHFFFAOYSA-N 405.439 3.078 0 40 HGAB Cc1ccccc1CN1CCN(C(=O)CN(C)Cc2ccccc2N2CCCC2)CC1 12613277 KIFZLNIERRSULH-UHFFFAOYSA-N 420.601 3.371 0 40 HGAB CCc1noc(CSc2nc3cc(Cl)ccc3c(=O)n2C[C@H]2CCCO2)n1 12781051 YFIISIOOIJPVCY-GFCCVEGCSA-N 406.895 3.467 0 40 HGAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 12781426 WVDVYFJSKRPXQK-QVKFZJNVSA-N 412.511 3.232 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)CCc2ccc(F)cc2)c1 12798910 VERZCUUSKBPWGE-UHFFFAOYSA-N 408.495 3.436 0 40 HGAB CC(C)CN(C(=O)CN(Cc1ccco1)Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 12846458 YQXVXZMOSWBBAF-QGZVFWFLSA-N 424.588 3.015 0 40 HGAB O=C1CCCN1c1ccc(CNS(=O)(=O)c2ccc(Br)s2)cc1 12917712 SBLVNURCMFPHKW-UHFFFAOYSA-N 415.334 3.116 0 40 HGAB CN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1cccc(S(=O)(=O)NC2CC2)c1 12925457 ZQGDXWYRDZSFSL-UHFFFAOYSA-N 412.433 3.418 0 40 HGAB CCN(CC(=O)NCc1ccc(F)cc1)C(=O)c1ccc(OC(C)C)c(OC)c1 12982641 PLRDLBHXWPTRGN-UHFFFAOYSA-N 402.466 3.400 0 40 HGAB CCCc1ccc([C@H](NC(=O)C2CCN(c3ccc4nnnn4n3)CC2)C(C)C)cc1 12985948 SNVBDRBQBUUYNQ-JOCHJYFZSA-N 421.549 3.202 0 40 HGAB COc1ccc([C@@H]2CCCN2S(=O)(=O)c2ccc(NC(C)=O)cc2)c(OC)c1 13007072 BNVPZRPYQPLDCD-IBGZPJMESA-N 404.488 3.188 0 40 HGAB CN(C)[C@H](CNC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)c1cccc(F)c1 14252640 IRAIFQMCNSUAFQ-OAQYLSRUSA-N 415.484 3.236 0 40 HGAB Cc1ccc2nc(NC(=O)N[C@H]3CC(=O)N(c4ccc5c(c4)OCCO5)C3)sc2c1 17122155 OJABDYWXXIZQCR-ZDUSSCGKSA-N 424.482 3.303 0 40 HGAB CCc1nccn1CC1(O)CCN(Cc2ccc(OC)c(Cn3ccnc3C)c2)CC1 19523623 IZEZCGLXVKTWGY-UHFFFAOYSA-N 423.561 3.034 0 40 HGAB CCCc1ncc(CN2CCC[C@H](c3ncc(Cl)cc3S(C)(=O)=O)C2)cn1 19525745 XBDORXSUEQIGAM-HNNXBMFYSA-N 408.955 3.261 0 40 HGAB COCCC(=O)N[C@@H](c1ccccn1)[C@H]1CCCN(Cc2ccc(F)c(F)c2)C1 19593234 XPHCJWWZTDRUJM-HTAPYJJXSA-N 403.473 3.466 0 40 HGAB COc1nn(CC(=O)Nc2cccc(CCc3ccncc3)c2)c(=O)c2ccccc12 19594902 BNDKXWHPOOUKDR-UHFFFAOYSA-N 414.465 3.224 0 40 HGAB CCn1cnc2sc(C(=O)Nc3cnn(Cc4cccc(OC)c4)c3)c(C)c2c1=O 19717386 YPUOTIKGMXTAIU-UHFFFAOYSA-N 423.498 3.292 0 40 HGAB O=C(C[C@H]1C(=O)N(Cc2ccco2)c2nc3ccccc3n21)NCCc1ccccc1 19817642 PHNSGDRVXUTSMT-NRFANRHFSA-N 414.465 3.466 0 40 HGAB CC[C@@H](C)[C@H](NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccccc1Cl)C(=O)OC 20723524 WAIWNQSLJFUOKC-PUECVXPYSA-N 404.898 3.308 0 40 HGAB CCOC(=O)c1c(C)c(C)n(Cc2cccs2)c1NC(=O)CN1CCO[C@H](C)C1 21380777 ZWEIWNLIRWXFHS-CQSZACIVSA-N 419.547 3.051 0 40 HGAB CC(C)(C)[C@H]1CCc2sc(C(=O)N3CCN(CC(=O)N4CCCC4)CC3)cc2C1 21557560 YJGYXOMCACCNNJ-SFHVURJKSA-N 417.619 3.279 0 40 HGAB O=S(=O)(/C=C/c1ccccc1)NC[C@H](c1ccccc1Cl)N1CCOCC1 24681108 XOXKCLOPYMGHDK-XMUSRXTASA-N 406.935 3.304 0 40 HGAB C[C@H](SCC(=O)Nc1ccc(F)cc1)C(=O)OCC(=O)N[C@H](C)c1cccs1 24790676 LKNVCAZCWQIHDG-OLZOCXBDSA-N 424.519 3.368 0 40 HGAB Cc1ccc(NC(=O)CN(C)C(=O)CN2CCn3cccc3[C@H]2c2ccccc2)cc1 26163306 UBGXVHWQIUXREF-RUZDIDTESA-N 416.525 3.299 0 40 HGAB Nc1nc(Cn2cnc3sc4c(c3c2=O)CCCC4)nc(Nc2ccc(F)cc2)n1 31627246 OXJNZUNQQIONCB-UHFFFAOYSA-N 423.477 3.035 0 40 HGAB Cc1ccc(C(=O)[C@H](C)OC(=O)c2cc(S(=O)(=O)NC3CC3)ccc2C)cc1 32868741 QQXGYCLTSPOBAX-HNNXBMFYSA-N 401.484 3.172 0 40 HGAB Cc1ncc(CN2CCC([C@@H]3C[C@H](C(=O)Nc4ccc(F)cc4)CN3C)CC2)cn1 36734291 SSIKNOMZEAAOPT-UGKGYDQZSA-N 411.525 3.095 0 40 HGAB CN(C(=O)NCc1ccc(N2CCOCC2)nc1)[C@H](c1ccccc1)c1ccccn1 40135598 NBTFDWZKHTYPNY-HSZRJFAPSA-N 417.513 3.244 0 40 HGAB CC(C)(C)C(=O)N1CCC[C@H]1C(=O)NCCCNc1ccc(C(F)(F)F)cn1 40151833 XXMVFLOVSMNINB-AWEZNQCLSA-N 400.445 3.056 0 40 HGAB 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CCOC(=O)[C@@]12CC=CCN(C(=O)c3ccc([C@@H](C)N4CCOCC4)o3)[C@@H]1CCC2 19530659 IBHAARNTRYWILY-HCLVMJGWSA-N 416.518 3.177 0 40 HGAB Cc1cc(C)c2c(CC(=O)N3CC[C@@H](c4nc(-c5ncccn5)no4)C3)coc2c1 19568411 YBDWKFNQMZVVGA-OAHLLOKOSA-N 403.442 3.448 0 40 HGAB Cc1nc2ccc(F)cc2cc1C(=O)Nc1cccc(NC(=O)CN2CCOCC2)c1 19666885 YPSNPWLIZJVSAW-UHFFFAOYSA-N 422.460 3.205 0 40 HGAB CC(=O)N1CCc2nc(C3CCN(C)CC3)nc(N3CCC(C(C)(C)C)CC3)c2C1 19710506 BANRCDLCCLQYTE-UHFFFAOYSA-N 413.610 3.453 0 40 HGAB C[C@H]1C[C@@H](C)CN(Cc2csc(NC(=O)c3ccc4c(c3)OCC(=O)N4)n2)C1 22296696 BGSVFLARCJCLSQ-BETUJISGSA-N 400.504 3.204 0 40 HGAB O=C(NCc1ccc2c(c1)OCCO2)c1ccc(NS(=O)(=O)c2ccccc2)cc1 23711824 KFXVJYDZUAQJRN-UHFFFAOYSA-N 424.478 3.189 0 40 HGAB O=C(NCc1ccccc1)C1CCN(C(=O)/C=C/c2ccc3c(c2)OCCCO3)CC1 24285954 ZWGIOXOYLNMGSN-CSKARUKUSA-N 420.509 3.416 0 40 HGAB c1ccc(-n2ncc3c(NCc4ccccc4CN4CCOCC4)ncnc32)cc1 24528341 KUXIAYFVGPDVQU-UHFFFAOYSA-N 400.486 3.260 0 40 HGAB CS(=O)(=O)c1ccc(C(=O)N[C@H]2CCCc3c2cnn3Cc2ccccc2)cc1 24932962 CPBHRQLKLGRKQG-FQEVSTJZSA-N 409.511 3.142 0 40 HGAB O=C(CCc1nc(-c2ccc(F)cc2)no1)OCCCN1C(=O)c2ccccc2C1=O 25134096 LQEXZUGPHNSOQK-UHFFFAOYSA-N 423.400 3.038 0 40 HGAB Cc1ccc(CN(C)C(=O)[C@@H](NC2=NS(=O)(=O)c3ccccc32)C(C)C)c(C)c1 25597103 LWBCGRQBOCMXMJ-FQEVSTJZSA-N 413.543 3.025 0 40 HGAB CC(=O)N1CCc2cc(C(=O)[C@H](C)Sc3nc4ccsc4c(=O)n3C)ccc21 26112624 UPSYBQZIWZYHNC-NSHDSACASA-N 413.524 3.268 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N2CCCCCC2)c(Cl)c1 28208232 CFIIWZSWJOVBGD-UHFFFAOYSA-N 402.944 3.152 0 40 HGAB CCc1ccc([C@@H](CNC(=O)COc2ccc(N3CCCC3=O)cc2)N(C)C)cc1 32733938 VLDHYTYMSHMQSM-JOCHJYFZSA-N 409.530 3.174 0 40 HGAB Cc1cc(NC(=O)c2ccco2)sc1C(=O)NCc1ccc(-n2ccnc2)nc1 32876135 NCXGKHRZKUFINH-UHFFFAOYSA-N 407.455 3.413 0 40 HGAB Cc1cc(C)c(S(=O)(=O)Nc2ccccc2C(=O)O[C@H]2C[C@H](C)OC2=O)c(C)c1 32879581 KZASZQMIJKSXFD-YJBOKZPZSA-N 417.483 3.273 0 40 HGAB O=C(COc1ccc(/C=C2/C(=O)NC(=O)N=C2O)cc1Cl)Nc1ccc(F)cc1 33796859 BZCIXXPTISMBEQ-UHFFFAOYSA-N 417.780 3.086 0 40 HGAB COc1ccc(NC(=O)CC[C@H]2N=C(O)N([C@@H](C)c3ccccc3)C2=O)c(OC)c1 36601930 ZWCLRDJCDVKYAZ-KBXCAEBGSA-N 411.458 3.309 0 40 HGAB O=C(CSc1ccc2c(c1)OCCO2)NCc1ccc(C(=O)N2CCCC2)cc1 36661131 CDIYAGNXODUEOC-UHFFFAOYSA-N 412.511 3.102 0 40 HGAB CCCOc1ccc(S(=O)(=O)NCCN2CCO[C@H](c3ccccc3)C2)cc1C 36700198 AIEVFCDUPMOFTH-QFIPXVFZSA-N 418.559 3.136 0 40 HGAB COc1ccc(S[C@H](C)C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)cc1OC 38755024 APYBQQQQWRAADL-GFCCVEGCSA-N 401.488 3.014 0 40 HGAB Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)Nc3cccc(OCC(N)=O)c3)c12 40132583 GVZHSYYNVVWEOU-UHFFFAOYSA-N 421.501 3.489 0 40 HGAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(N3CCOCC3)nc2)c(Br)c1 48333947 BFYJLNCPTBUWLE-AWEZNQCLSA-N 420.307 3.395 0 40 HGAB COC(=O)c1ccc(CN2CN(c3ccc(C)cc3)c3ncccc3S2(=O)=O)o1 49411473 QPNNAHAGTYATEE-UHFFFAOYSA-N 413.455 3.070 0 40 HGAB O=C(NC1CC1)C1CCN(CCOc2ccc(Cl)cc2Br)CC1 55914616 YYHWMWDPPJMOHP-UHFFFAOYSA-N 401.732 3.472 0 40 HGAB COC(=O)c1[nH]c2cc(C)ccc2c1NC(=O)CN1CCN(c2ccccc2)CC1 61932205 TVDKFCDREKTKKC-UHFFFAOYSA-N 406.486 3.024 0 40 HGAB COc1ccccc1NC(=O)Cn1cc(-c2ccc(C)cc2)c(N2CCOCC2)n1 62006889 ILOCJEFYXLXWCC-UHFFFAOYSA-N 406.486 3.342 0 40 HGAB COC(=O)c1cc(OCC(=O)Nc2cccc(F)c2)c2cc(OC)c(OC)cc2n1 65033497 LTQXBZUMOAIMNU-UHFFFAOYSA-N 414.389 3.195 0 40 HGAB O=C(c1cc(-c2ccccc2)n[nH]1)N1CCN(c2cc(-c3ccccc3)ncn2)CC1 70655864 KVZVLGABAIYYHI-UHFFFAOYSA-N 410.481 3.496 0 40 HGAB COc1ccc(-c2cnc(N)nc2[C@H]2CCCN2C(=O)COc2ccccc2)cc1 72354707 NVOGCMURCOAMRP-HXUWFJFHSA-N 404.470 3.477 0 40 HGAB CC(=O)Nc1cccc(-c2nccnc2[C@@H]2CCCN(C(=O)Cc3cccnc3)C2)c1 72358827 HVVSPGWUZVILNQ-HXUWFJFHSA-N 415.497 3.446 0 40 HGAB COc1ncc([C@]2(O)CC[C@H]3CN(Cc4ccc(Cl)c(F)c4)C[C@H]32)c(OC)n1 72392622 FJOMHCCIHQYBNG-XBHMSOGKSA-N 407.873 3.016 0 40 HGAB Cc1nn(-c2ccccc2)c(C)c1[C@@H]1C(=O)NCCN1C(=O)/C=C/c1cccc(F)c1 96872994 BCMNOTPEEUCJBO-HRBBJJPOSA-N 418.472 3.341 0 40 HGAB COC(=O)/C(=C/Nc1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(Cl)cc1 100025835 HZWAVHIWPQWKCW-BOPFTXTBSA-N 411.863 3.257 0 40 HGAB C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O 102085690 YZYSJMTZZRNQAC-QHUBWKJDSA-N 405.281 3.374 0 40 HGAB Cc1cc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)nn1Cc1ccc(Cl)cc1Cl 102631937 VNQCGRGVWMGPII-MUIFIZLQSA-N 406.269 3.213 0 40 HGAB CCOC(=O)c1ccc(NC(=O)[C@@H]2C(=O)N(C)[C@@]3(C)C[C@H]2c2ccccc2O3)cc1 136215816 JTACJWZZFAPPCS-GEQKSPFYSA-N 408.454 3.173 0 40 HGAB O=C(COC(=O)c1ccc(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1)Nc1ccccc1 165704664 QZGCHFZYRRCDJU-SNHGZMDHSA-N 418.449 3.018 0 40 HGAB CC(C)OCCCNS(=O)(=O)c1cc(C(=O)O)ccc1NCc1ccccc1 217511898 DXKUPGMFHJCYTE-UHFFFAOYSA-N 406.504 3.090 0 40 HGAB Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3ccccc3)[C@@]2(CN)NC(=O)OC(C)(C)C)cc1 218048533 FDKSSCHDQAEKOZ-NNMXDRDESA-N 416.543 3.157 0 40 HGAB CCOC(=O)c1ccc(C)c(NC(=O)c2ccc(C)c(N(C)S(C)(=O)=O)c2)c1 222460267 IPMHYBAVWCZBLW-UHFFFAOYSA-N 404.488 3.128 0 40 HGAB COC(=O)c1cn(C(=O)[C@@H](C)N(c2cccc(F)c2)S(C)(=O)=O)c2ccccc12 222633398 LEEKQYDGLVYYHZ-CYBMUJFWSA-N 418.446 3.062 0 40 HGAB CNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CSCc1ccccc1C 222779602 PTPZWMNRFLUUJA-KRWDZBQOSA-N 400.544 3.400 0 40 HGAB CCn1c(=O)oc2cc(S(=O)(=O)Nc3cccc(Br)c3)c(C)cc21 223354095 QBWBHMKIEUUNGM-UHFFFAOYSA-N 411.277 3.486 0 40 HGAB CCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)COc1ccc(OC)cc1 224516637 ZPFUQMSCTXYBKP-NRFANRHFSA-N 414.502 3.026 0 40 HGAB COc1cc(/C=C/C(N)=O)cc(I)c1OCc1ccccc1 226335138 BHCGVKRWQFICPG-BQYQJAHWSA-N 409.223 3.377 0 40 HGAB Cc1cc2sc(NC(=O)[C@H](C)N3C(=O)[C@@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)nc2cc1Cl 248328919 CHBGUNFSPXSJKF-SQXIKUFJSA-N 415.902 3.392 0 40 HGAB CN(C)c1cccc(OCC(=O)N2CCC[C@H]2c2nc(Cc3ccc(F)cc3)n[nH]2)c1 257242161 IBJFLHGAFQECCD-FQEVSTJZSA-N 423.492 3.343 0 40 HGAB CC(=O)Nc1ncc(-c2cnc(C[C@@H]3CCCN(C(=O)C(C)(C)C)C3)cn2)s1 257308865 TYNRCDLXEDFSBY-AWEZNQCLSA-N 401.536 3.386 0 40 HGAB O=C(Cn1cc(C(=O)C(=O)N2CCCCC2)c2ccccc21)NCc1ccc(F)cc1 408575982 XCOSMMRWZZXLEF-UHFFFAOYSA-N 421.472 3.292 0 40 HGAB Cc1ccc(-c2c3c(nc4c2c(=O)n(C)c(=O)n4C)-c2ccccc2[C@@H]3O)c(C)c1C 408979048 BOQCJPIIFXMBBD-QFIPXVFZSA-N 413.477 3.287 0 40 HGAB Cc1ccccc1/C=C1/SC(=O)N(CC(=O)Nc2ccc3c(c2)OCCO3)C1=O 409206968 RRDHYYNZAGASNI-VCHYOVAHSA-N 410.451 3.441 0 40 HGAB O=C(C[C@H](c1ccsc1)n1cccc1)Nc1ccc(N2CCN(CCO)CC2)cc1 524735462 DFACRVVIZSABDD-JOCHJYFZSA-N 424.570 3.282 0 40 HGAB O=C(NCc1cccc(C(=O)N2CCOCC2)c1)c1ccc2c3c(cccc13)CC2 547428014 AEJHUZQIOPZGKV-UHFFFAOYSA-N 400.478 3.341 0 40 HGAB Cc1cc2n(n1)C1(CCN(C(=O)c3cc(F)cc(F)c3)CC1)CC(=O)N2CC1CC1 1772596624 ZXJIYXWAQKXITB-UHFFFAOYSA-N 414.456 3.248 0 40 HGAB Cc1cc(N2CCC(CN(C)c3cc(C(F)(F)F)ccn3)CC2)n2ncnc2n1 1889149393 ISNFSHXBSVIYCP-UHFFFAOYSA-N 405.428 3.199 0 40 HGAB C[C@H](NS(=O)(=O)c1ccc(CCC(=O)NCc2ccncc2)cc1)c1ccccc1 665952 PBWOAEZUZPQPKW-SFHVURJKSA-N 423.538 3.370 0 40 HGAB CC(=O)N(c1ccc2oc(=O)sc2c1)S(=O)(=O)c1cccc2cccnc12 816418 PZMNPTITLTWWBC-UHFFFAOYSA-N 400.437 3.145 0 40 HGAB CCn1cc(CNC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@H](c2ccco2)N3)cn1 919684 JDVZBKZKNBQURD-DOMZBBRYSA-N 408.384 3.283 0 40 HGAB COc1ccccc1NC(=O)CC(=O)CSc1nnc(-c2ccc(C)cc2)n1C 1221452 XACQDQUVOYWZKS-UHFFFAOYSA-N 410.499 3.489 0 40 HGAB aggregator CCCCOC(=O)n1c(=O)oc2cc(S(=O)(=O)Nc3cccc(C)c3)ccc21 1829659 GZQDJHPQDOLZDF-UHFFFAOYSA-N 404.444 3.489 0 40 HGAB O=C1[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccccc3)N2C(=O)CN1C[C@@H]1CCCO1 2091992 FEFBOIZHIIZPLT-CODAWKSHSA-N 415.493 3.032 0 40 HGAB biogenic Cc1ncc2c(c1O)[C@H](c1c(O)n(-c3ccccc3Cl)c(=S)[nH]c1=O)OC2 2146267 DQWWBZGSPQPTDP-OAHLLOKOSA-N 403.847 3.283 0 40 HGAB biogenic Cc1c(CC(=O)N2CCC[C@@H]2C(=O)O)c(=O)oc2cc3oc4c(c3cc12)CCCC4 2153854 WRCINIAOTUHCRN-QGZVFWFLSA-N 409.438 3.345 0 40 HGAB O=C(N[C@]1(C(F)(F)F)NC(=O)N(c2ccc(Cl)cc2)C1=O)c1ccc(F)cc1 2264381 PGADGGZNLZIIQO-INIZCTEOSA-N 415.730 3.224 0 40 HGAB COCCNC(=O)c1c(NC(=O)COc2cccc(C)c2)sc2c1CCCC2 2323575 FYUKVLVJCHTXFR-UHFFFAOYSA-N 402.516 3.329 0 40 HGAB CCN(CC)C[C@@H](C)NC(=O)[C@H](C)n1nc(C(F)(F)F)c(Br)c1C 2780823 RXYGVGZLPDFBPQ-KOLCDFICSA-N 413.282 3.380 0 40 HGAB CC[C@H](C(=O)OCC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O)c1ccccc1 3226762 QCMJOVYBQNZMHO-IBGZPJMESA-N 407.470 3.160 0 40 HGAB Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)c3ccc4ncsc4c3)CC2)c1 3311952 BOGYYCWLYLWGLC-UHFFFAOYSA-N 415.540 3.060 0 40 HGAB CCOC(=O)CCCNC(=O)COC(=O)c1cc(-c2ccco2)nc2ccccc12 3390151 ZVPKHESNGQKSPR-UHFFFAOYSA-N 410.426 3.111 0 40 HGAB Cc1occc1-c1nnc(SCC(=O)NC(=O)NC(C)C)n1Cc1ccccc1 3534515 YHEDKASCFSXHBL-UHFFFAOYSA-N 413.503 3.221 0 40 HGAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)CSc1nnnn1-c1ccccc1 3545267 PIJICLGPJOYIIJ-UHFFFAOYSA-N 405.487 3.196 0 40 HGAB COC(=O)c1cc(NC(=O)CCCOc2ccc(OC)cc2)cc(C(=O)OC)c1 3611666 FMXKQKWCQRYAHW-UHFFFAOYSA-N 401.415 3.066 0 40 HGAB O=C(c1cccnc1)N(c1ccc2oc(=O)sc2c1)S(=O)(=O)c1ccccc1 3654015 WHHYZUURBYCSJK-UHFFFAOYSA-N 412.448 3.285 0 40 HGAB CC(=O)N[C@H](CC(=O)OCC(=O)N1CCC(Cc2ccccc2)CC1)c1ccccc1 4220240 MXCVSQRDQNTZIR-HSZRJFAPSA-N 422.525 3.278 0 40 HGAB O=S(=O)(Nc1cccc(-c2ccc3nncn3n2)c1)c1ccc2c(c1)CCCC2 4270254 CMBJJXPWYYWZJI-UHFFFAOYSA-N 405.483 3.471 0 40 HGAB COc1cccc([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2ccccc2F)c1OC 4276392 WRZXHNWIDNXJOK-KRWDZBQOSA-N 401.463 3.274 0 40 HGAB COc1cc([C@H]2SC[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)N32)cc(OC)c1OC 4520142 GOUCEYWELNWZIR-IFXJQAMLSA-N 418.446 3.434 0 40 HGAB Cc1nnc(NC(=O)[C@H](C)Sc2nc3sc4c(c3c(=O)[nH]2)CCCC4)s1 4736425 PLSIQXJOJDAZOZ-ZETCQYMHSA-N 407.546 3.143 0 40 HGAB COCCn1c(SCC(=O)Nc2cc(C)ccc2OC)nnc1-c1ccco1 4861202 RBJATEKYNFQCLA-UHFFFAOYSA-N 402.476 3.232 0 40 HGAB CCCCOC(=O)[C@H](C)OC(=O)c1cccc(C(=O)O[C@@H](C)C(=O)OCCCC)c1 4896096 ONQBNAZNJBHXIL-HOTGVXAUSA-N 422.474 3.464 0 40 HGAB COc1cccc(NC(=O)CSc2nc(=O)n(Cc3ccco3)c3c2CCC3)c1 4940047 YSBIVZLQPXFDBU-UHFFFAOYSA-N 411.483 3.113 0 40 HGAB CC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)c2nc(-c3ccc(C)cc3)no2)cc1 4998266 HCHBEVKEWNTFAJ-CYBMUJFWSA-N 400.460 3.043 0 40 HGAB COc1ccccc1-n1cnnc1SCc1nc(N)nc(Nc2ccccc2)n1 5702411 GGDCIUQDWMCXJO-UHFFFAOYSA-N 406.475 3.079 0 40 HGAB C[C@H](Sc1nnnn1-c1ccc(OC(F)(F)F)cc1)C(=O)NC1CCCCC1 5797125 FLDALBRILSJIGY-NSHDSACASA-N 415.441 3.490 0 40 HGAB C[C@@H](C(=O)O[C@H](C)C(=O)Nc1ccc2ccccc2c1)N1C(=O)c2ccccc2C1=O 5936428 VKCBJPUFEXBECR-LSDHHAIUSA-N 416.433 3.395 0 40 HGAB CCCCCNC(=O)CN1CC[C@@]2(O)CCCC[C@@H]2[C@@H]1c1ccc2c(c1)OCO2 6264169 XFEVYGOFGKAHNI-LEOXJPRUSA-N 402.535 3.390 0 40 HGAB biogenic COc1cc(CNC(=O)c2ccc(Cl)cc2N2CCCC2=O)cc(OC)c1OC 7434886 LOQFCPIVSFVQSL-UHFFFAOYSA-N 418.877 3.423 0 40 HGAB C[C@H](Sc1nc(C2CC2)n(-c2ccccc2)n1)C(=O)Nc1sccc1C(N)=O 7538347 ZYQYPPYPVPAMAT-NSHDSACASA-N 413.528 3.424 0 40 HGAB CCc1ccc(-c2nnn(CC(=O)N3CCC[C@@H]3c3ccc4c(c3)OCCO4)n2)cc1 8324826 KPQPALGJPAEOSW-LJQANCHMSA-N 419.485 3.037 0 40 HGAB COC(=O)c1ccc(NC(=O)COC(=O)CCCC(=O)Nc2ccccc2C)cc1 8412501 YQEPXCSGMGOZRC-UHFFFAOYSA-N 412.442 3.072 0 40 HGAB CC(=O)c1ccc(NC(=O)CCCC(=O)OCC(=O)N[C@H](C)c2ccccc2)cc1 8412669 UOVJGGVSDGIEHO-MRXNPFEDSA-N 410.470 3.419 0 40 HGAB COc1cccc(C(=O)C[C@@]2(O)C(=O)N(CN3CCCCCC3)c3ccccc32)c1 8569931 OTKWGJMRQMGFFW-DEOSSOPVSA-N 408.498 3.336 0 40 HGAB O=C(CCn1cnc2sccc2c1=O)Nc1cc2c(cc1Cl)OCCCO2 9810783 NUKJCYKZIZJESR-UHFFFAOYSA-N 405.863 3.302 0 40 HGAB Cc1ccc(S(=O)(=O)Nc2c(C(=O)N3CCOCC3)oc3ccccc23)cc1C 9881829 FFWHEBPJWCLEEC-UHFFFAOYSA-N 414.483 3.323 0 40 HGAB CC(=O)Nc1cccc(NC(=O)[C@H](C)N(c2cc(C)ccc2C)S(C)(=O)=O)c1 10331987 MKJMQJLNEHAEQB-HNNXBMFYSA-N 403.504 3.055 0 40 HGAB COCCCNC(=O)CN1c2ccc(C(C)C)cc2-c2ccccc2S1(=O)=O 11120169 DPXJEPWLGCJCDF-UHFFFAOYSA-N 402.516 3.138 0 40 HGAB Cc1ccc(OCc2nc(CC(=O)N3CCN(c4nccs4)CC3)cs2)cc1 11187926 ZXOTVTKQAJPJQQ-UHFFFAOYSA-N 414.556 3.378 0 40 HGAB COc1ccc(Cl)cc1NC(=O)NCCn1nc(-c2cccs2)ccc1=O 11694490 GSYGGJXGAYJZFQ-UHFFFAOYSA-N 404.879 3.456 0 40 HGAB COc1ccc(CN2CCN(c3ccccc3[C@@H](O)c3nccn3C)CC2)c(C)c1C 12143379 WBTISFLNWCZEPW-XMMPIXPASA-N 420.557 3.449 0 40 HGAB Cc1ccc(N2CCCC2=O)cc1S(=O)(=O)N1CCCCC[C@@H]1c1ccn(C)n1 12159648 FOASRJXEUBFWHN-LJQANCHMSA-N 416.547 3.161 0 40 HGAB COc1ccccc1CCC(=O)N1CCC[C@H]([C@@H]2C[C@H](C(F)F)n3ncnc3N2)C1 12182042 NPALEUMRDBIORD-YESZJQIVSA-N 419.476 3.149 0 40 HGAB Cc1cc(C)cc(N2C[C@@H](C(=O)N3CCC[C@@H](c4nnc5ccccn45)C3)CC2=O)c1 12409857 KUKSPAPPKZPDBX-MOPGFXCFSA-N 417.513 3.105 0 40 HGAB COc1ccc(NC(=O)c2csc(NS(=O)(=O)c3ccccc3)n2)cc1OC 12628084 HUIDPFQAXQNCEN-UHFFFAOYSA-N 419.484 3.213 0 40 HGAB CS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc(OC(F)F)c(Cl)c2)cc1 12735719 QXFMFSUUSDLXBX-UHFFFAOYSA-N 411.835 3.146 0 40 HGAB C[C@H](NC(=O)Cc1cccc2ccccc12)C(=O)Nc1ccccc1N1CCOCC1 12801954 YEYRCNPPOXCGGG-SFHVURJKSA-N 417.509 3.362 0 40 HGAB COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)/C=C/c1ccc([C@H]2C[C@@H]2C)o1 12927426 MQOBEBPEQRMDQR-HZTSREPPSA-N 407.470 3.328 0 40 HGAB Cc1cc(-c2cnn(CCNC(=O)CCn3ccc(C)n3)c2-c2cccs2)on1 13227745 INJARKAAWVLDNK-UHFFFAOYSA-N 410.503 3.286 0 40 HGAB O=C(COc1cccc(Cl)c1)NCCCn1nc(-c2ccc(F)cc2)ccc1=O 13802287 GNQLGTOMHGYJMQ-UHFFFAOYSA-N 415.852 3.288 0 40 HGAB O=C(NCCC(=O)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1)c1ccccc1 14198855 ZVDRPORAAMFWFG-UHFFFAOYSA-N 419.447 3.170 0 40 HGAB CC(C)Cc1nn2c(=O)cc(COC(=O)COc3ccc(Cl)cc3)nc2s1 15734047 AXSRJLRAQMHNMA-UHFFFAOYSA-N 407.879 3.125 0 40 HGAB CC(C)(CNC(=O)CCn1cnc2sc3c(c2c1=O)CCCC3)N1CCCCC1 16224462 MGRWYGSBISEEFP-UHFFFAOYSA-N 416.591 3.108 0 40 HGAB COc1ccc(-c2nc(N3CCN(C)CC3)nc3c2C(=O)c2ccccc2-3)cc1OC 17090633 UVDSPVZYYOORTK-UHFFFAOYSA-N 416.481 3.124 0 40 HGAB C[C@@H](Oc1ccccc1F)C(=O)N1CCN([C@H](c2ccccc2)c2nccn2C)CC1 19079095 UZIBAIJZACQJMX-XMSQKQJNSA-N 422.504 3.260 0 40 HGAB Cc1cc(C)n(-c2nc(C(=O)NCc3cccc(OC[C@@H]4CCCO4)c3)cs2)n1 19116471 HKNNLARTDXCFIP-SFHVURJKSA-N 412.515 3.433 0 40 HGAB Cc1nccn1[C@@H](C)CC(=O)N1[C@H]2CC[C@@H]1CC(O)(Cn1ccc3ccncc31)C2 19287609 GDFBIKVFAVZOJU-SRSMGXFPSA-N 407.518 3.077 0 40 HGAB CCn1ncc(S(=O)(=O)N2CCC[C@@H](c3nc(C)n4c(C)csc34)C2)c1C 19524005 CUHIERRZNBTRDK-OAHLLOKOSA-N 407.565 3.106 0 40 HGAB COc1ccc(CC(=O)N[C@@H](C)c2nc3cc(-c4ccc(F)cc4)ncn3n2)cc1 19574325 QKOMXTRROJKPQF-AWEZNQCLSA-N 405.433 3.359 0 40 HGAB O=C(c1n[nH]c2c1CCC2)N1CC[C@H](c2cc(COc3cccc(Cl)c3)[nH]n2)C1 19704678 DLDKHHGUBIZZFB-ZDUSSCGKSA-N 411.893 3.484 0 40 HGAB Cc1nc([C@H]2CCCN(CC(=O)N3CCCCC3)C2)nc2c1CCCN2CC1CC1 19707023 DQKSTTYYGOYJQP-FQEVSTJZSA-N 411.594 3.140 0 40 HGAB COc1ccc(NC(=O)CSCc2nc(Nc3nc(C)cc(C)n3)no2)cc1 19819639 KNTLXFCXWMPGHK-UHFFFAOYSA-N 400.464 3.101 0 40 HGAB O=C(NCc1ccc(F)cc1)C1CCN(S(=O)(=O)CCCc2ccccc2)CC1 20454199 AHGGLMXMOSTPFU-UHFFFAOYSA-N 418.534 3.117 0 40 HGAB CCOc1ccccc1CNC(=O)c1ccc(C)c(S(=O)(=O)N2CCCC2)c1 20460485 RRSZEVSZPDJDLB-UHFFFAOYSA-N 402.516 3.108 0 40 HGAB CC[C@H](NC(=O)[C@@H]1CN(S(=O)(=O)CC)c2ccccc2O1)c1ccc(C)cc1 20490344 WYKDVTIWLPARSO-PXNSSMCTSA-N 402.516 3.180 0 40 HGAB Cc1noc(C)c1CC(=O)Nc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1 20815449 GQLXMWOUQJLDAH-UHFFFAOYSA-N 413.499 3.293 0 40 HGAB CCN1CCN([C@H](c2cccs2)[C@H](C)NS(=O)(=O)c2ccc(C)cc2)CC1 22460441 MWEJUUKVXXTAEO-PXNSSMCTSA-N 407.605 3.102 0 40 HGAB O=C(N[C@H]1CCSc2ccc(F)cc21)[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 24634473 UZOQOQBRPTUJOJ-LRDDRELGSA-N 414.458 3.261 0 40 HGAB Cc1sc2ncn(CCC(=O)NCc3ccc(Cn4cccn4)cc3)c(=O)c2c1C 29231105 NYKZZJHYDVFEAK-UHFFFAOYSA-N 421.526 3.026 0 40 HGAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3cccc(C)c3)CC2)cc1 31108377 XVIWPSDUKQTITO-UHFFFAOYSA-N 416.543 3.111 0 40 HGAB COc1ccc(C)cc1NC(=O)C[C@H]1C(=O)Nc2nc(-c3ccc(Cl)cc3)nn21 31814250 ZRBMVUAFQFDORV-HNNXBMFYSA-N 411.849 3.438 0 40 HGAB COC(=O)c1ccc(NC(=O)c2cn(-c3ccccc3Br)nn2)s1 31892702 BJBFQOBFOYIPBM-UHFFFAOYSA-N 407.249 3.130 0 40 HGAB Cc1ccc(SCCNC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)cc1 32740644 VTRBNRLRFVGYFX-INIZCTEOSA-N 412.511 3.028 0 40 HGAB COC(=O)[C@H](c1ccccc1Cl)N1CCN(C(=O)/C=C/c2csc(C)n2)CC1 36391809 OGWKUPCNXHGLSK-UCFODXPJSA-N 419.934 3.177 0 40 HGAB CCN(CC)CCOc1ccccc1NC(=O)N1CCN(C(=O)c2ccccc2)CC1 40104521 CBOMLKCALRARMQ-UHFFFAOYSA-N 424.545 3.397 0 40 HGAB Cc1ccn2c(=O)c(C(=O)NCc3ccccc3CN3CCCC[C@H]3C)cnc2c1 40112387 MTMVIXWUJMOLRX-GOSISDBHSA-N 404.514 3.307 0 40 HGAB C[C@H]1C[C@H](C)CN(CCCNC(=O)CCNC(=O)c2ccc(Br)cc2)C1 40118843 UWQBFPCCFVXFSN-HOTGVXAUSA-N 424.383 3.053 0 40 HGAB CN(C)S(=O)(=O)c1ccc(C(=O)N2CCCc3cc(OC(F)(F)F)ccc32)o1 41867126 UIBVGJFJLHRZBE-UHFFFAOYSA-N 418.393 3.022 0 40 HGAB CC(C)NC(=O)N1CCC[C@@H](C(=O)Oc2ccc(I)cc2)C1 42227680 OEGJBPDCLUNCMX-GFCCVEGCSA-N 416.259 3.027 0 40 HGAB COc1cc(CNC(=O)c2cc(-c3cccnc3)on2)ccc1OC[C@H]1CCCO1 44525790 UHVUHHAOZSUJLU-QGZVFWFLSA-N 409.442 3.233 0 40 HGAB Cc1cc(N2CCN([C@H](C)C(=O)N3c4ccccc4C[C@H]3C)CC2)nc(C(C)C)n1 48236336 OZJWRVQGYYCTTL-RTBURBONSA-N 407.562 3.397 0 40 HGAB O=C(Nc1ccc2cc[nH]c2c1)[C@H](Cc1ccccc1)NC(=O)N1CCSCC1 49551640 ANIONZAHRXFXRX-FQEVSTJZSA-N 408.527 3.476 0 40 HGAB Cc1cccc(NC(=O)CSc2nc3[nH]ncc3c(=O)n2-c2ccccc2)c1C 51316674 GVWPEXUJXDUXIN-UHFFFAOYSA-N 405.483 3.456 0 40 HGAB CCC(C)(C)n1nnnc1CN(Cc1cc2cc(C)ccc2[nH]c1=O)C[C@@H]1CCCO1 57595275 GSYRAKCFUIQZRT-IBGZPJMESA-N 424.549 3.149 0 40 HGAB O=C1N[C@@H](Cc2ccccc2)C(=O)N1CN1CCC[C@@H]1c1ccc2c(c1)OCCCO2 58169707 MQGMAMITYMZION-VQTJNVASSA-N 421.497 3.105 0 40 HGAB Cc1cccc(NC(=O)c2cc(S(=O)(=O)NCCN3CCCC3)ccc2Cl)c1 58198276 JTPIEVJDJVJBGK-UHFFFAOYSA-N 421.950 3.275 0 40 HGAB COc1cccc(-c2nnc(SCC(=O)c3ccc(OC)c(O)c3OC)n2C)c1 72191455 JEYQANRBCRBDOY-UHFFFAOYSA-N 415.471 3.189 0 40 HGAB O=C(c1cc([C@@H]2CN(Cc3ccccc3)CCO2)nc2ccccc12)N1CCOCC1 72352710 LFRGRXHPWGXTQK-DEOSSOPVSA-N 417.509 3.281 0 40 HGAB Cc1ncc(C(=O)N2CC[C@@H](c3cc(CCOc4ccc(F)cc4)[nH]n3)C2)c(C)n1 72371654 OQLILDVBRQDFHY-MRXNPFEDSA-N 409.465 3.207 0 40 HGAB CNC(=O)Cc1nc(CS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cs1 79024218 JZIZUAJGDHMYLO-UHFFFAOYSA-N 412.842 3.078 0 40 HGAB Cc1ccc([C@@H](CNS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)N(C)C)cc1 95431115 NEJYIXPEJSZHDY-LLVKDONJSA-N 408.392 3.272 0 40 HGAB CCCC(=O)N1CCCC[C@H]1C(=O)N(C)CCC1CCN(c2ccncc2)CC1 95457781 PLMKWKXCCKJDKL-NRFANRHFSA-N 400.567 3.328 0 40 HGAB CN(C)Cc1cccc(C(=O)N[C@H](c2cccc(C(F)(F)F)c2)c2nc[nH]n2)c1 97108898 FVOCOFRAZXWDQQ-QGZVFWFLSA-N 403.408 3.405 0 40 HGAB Cc1cccc(NC(=O)CN2N=N[C@H]3C(=O)N(c4ccc(C(C)C)cc4)C(=O)[C@@H]32)c1 100036871 YNXOMGWSCCGCTE-WOJBJXKFSA-N 405.458 3.050 0 40 HGAB CCC(=O)N1CCC[C@@H]1c1cc2nc3c(c(O)n2n1)CCN(C[C@H]1CC=CCC1)C3 100234314 HSLSPXZAKUIGGW-OXJNMPFZSA-N 409.534 3.223 0 40 HGAB CCOC(=O)C(=CNc1ccc2c(c1)nnn2-c1ccc(Cl)cc1)C(=O)OCC 100585806 MWSARRPUHBPVAQ-UHFFFAOYSA-N 414.849 3.496 0 40 HGAB COC(=O)CN(c1ccccc1Br)S(=O)(=O)c1ccc(Cl)cc1 113877599 GPJKMCUMYILETA-UHFFFAOYSA-N 418.696 3.471 0 40 HGAB CC[C@@H](C(=O)N[C@@H](C)COc1ccc(C)cc1)N(c1ccccc1)S(C)(=O)=O 219085810 JXPGPEOXCLGPRQ-PXNSSMCTSA-N 404.532 3.123 0 40 HGAB CCOc1ccc(N([C@H](CC)C(=O)NCCSC(C)(C)C)S(C)(=O)=O)cc1 220670256 VSYNPIWFWGIOOP-QGZVFWFLSA-N 416.609 3.278 0 40 HGAB CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NC12CC3CC(CC(C3)C1)C2 224444545 AJJUDQGDNUKXRQ-FQYNAJQUSA-N 420.575 3.325 0 40 HGAB CCOC(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccc(OC)c(OC)c1 224793215 WGWWJBXNAODIJQ-UHFFFAOYSA-N 407.488 3.079 0 40 HGAB CS(=O)(=O)N(CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccccc1F 225865895 BQPBQFGNDNDCDD-UHFFFAOYSA-N 404.385 3.245 0 40 HGAB CN(C)CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)cn1 225932777 UZPUNNPFOOHQOS-UHFFFAOYSA-N 403.910 3.362 0 40 HGAB COc1ccc([C@H]2OCC[C@@]34C[C@@H](C[C@H]23)C(C)(C)[C@H]4NC(=O)CCO)cc1OC 257201170 AGPMARYDLQBKJB-UALQTUHCSA-N 403.519 3.085 0 40 HGAB O=C(Cc1ccccn1)N1CCC[C@]2(CC=CCN(Cc3ccc(F)cc3)C2=O)C1 257215356 CPSXVSJRPAAVMB-XMMPIXPASA-N 407.489 3.361 0 40 HGAB COc1cc2c(cc1CN1CCO[C@@H](c3cccc(-c4cnc(N)nc4)n3)C1)CCC2 257241744 HZLLFWIVZRIXKZ-HSZRJFAPSA-N 417.513 3.192 0 40 HGAB CCc1ccc(C(=O)NC[C@@]2(c3ccccc3)CC[C@H](O)[C@@H](NC(C)=O)CC2)cc1 257248245 JCUKBDYWLWIZLM-LSQMVHIFSA-N 408.542 3.356 0 40 HGAB Cc1ccc(C)c(NC(=O)CN2CCC3(CC2)CCC(C)(C)N(S(C)(=O)=O)C3)c1 257275906 NRLRBNBBKDOFLV-UHFFFAOYSA-N 421.607 3.158 0 40 HGAB Cc1nn(C)cc1CN1CCO[C@H](c2cc(CCOc3ccc(Cl)cc3)[nH]n2)C1 257316081 VEAKVSAODOIHQA-NRFANRHFSA-N 415.925 3.300 0 40 HGAB CC(C)n1cnc([C@H]2CN(Cc3ccccc3)C[C@]23OCCN(CC2CCC2)C3=O)c1 306126031 DKBHTDLNPCYXGE-RDGATRHJSA-N 422.573 3.461 0 40 HGAB CC(C)N1CC2(CCN(Cc3nccs3)CC2)COc2ccccc2S1(=O)=O 306133021 LZDRSJQRJDGOBR-UHFFFAOYSA-N 421.588 3.217 0 40 HGAB O=S(=O)(c1cccc(F)c1)N1CCC[C@]2(CC1)CN(Cc1cccs1)CCO2 306144501 ZGSNTGNSUKFYQE-FQEVSTJZSA-N 424.563 3.333 0 40 HGAB CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(F)cc3F)C2)cc1 408557332 GOLHCFMKZOWGCX-AWEZNQCLSA-N 424.469 3.403 0 40 HGAB Cc1ccc(NC(=O)COc2ccc(S(=O)(=O)N3CCCCC3)cc2C)cc1 408562873 SCIGIQDMCOAJQQ-UHFFFAOYSA-N 402.516 3.496 0 40 HGAB CCOc1ccc(N(CC(=O)Nc2ccc(OC(C)C)cc2)S(C)(=O)=O)cc1 408620371 JJCPKTSAEZKRLA-UHFFFAOYSA-N 406.504 3.277 0 40 HGAB CCc1nc(S/C(=C\c2cc(Cl)c(OCC(=O)O)c(Cl)c2)C(=O)O)n[nH]1 408632220 OUCOBILTFYSELD-YHYXMXQVSA-N 418.258 3.355 0 40 HGAB CCn1c(CNC(=O)c2ccc(C)cc2)nnc1SCC(=O)NC1CCCCC1 409342743 CJJZEOGPQZLXIZ-UHFFFAOYSA-N 415.563 3.077 0 40 HGAB O=C(NCC1CCC(c2ccccc2)CC1)c1cccc(CN2C(=O)CNC2=O)c1 517436327 FZNYFUZDRVBMOK-UHFFFAOYSA-N 405.498 3.442 0 40 HGAB Fc1ccc(Br)cc1-c1noc(Cn2nnc(-c3ccccc3)n2)n1 560005631 GHQLTKLFXUQRHA-UHFFFAOYSA-N 401.199 3.340 0 40 HGAB Cc1cncc(OCC[C@H]2CCOC3(C2)CN(C(=O)c2cc4ccccc4[nH]2)C3)n1 575402443 AMNJFFFADHMIFA-KRWDZBQOSA-N 406.486 3.357 0 40 HGAB CCCN1CCN(C(=O)CCN)C[C@H](Cc2ccc(-c3ccccc3F)cc2)C1=O 585183647 YWNWDCFXDPUFAV-FQEVSTJZSA-N 411.521 3.081 0 40 HGAB CN(C1=NS(=O)(=O)c2ccccc21)C1CCN(Cc2cccc(Cl)c2)CC1 1888926489 IUFUCBPZTUVYNM-UHFFFAOYSA-N 403.935 3.385 0 40 HGAB O=C([C@@H]1CCCN(c2ncc(Br)cc2F)C1)N1CCC(F)(F)CC1 2298047676 MPKDZJYJIDODFL-LLVKDONJSA-N 406.246 3.457 0 40 HGAB CCOc1ccc(-n2c(N)c(C(=O)OCCOC)c3nc4ccccc4nc32)cc1 2297231 AZQSRJCDRDJENJ-UHFFFAOYSA-N 406.442 3.358 0 40 HGAB COc1cc2c(cc1OC)CN(S(=O)(=O)c1ccccc1C(F)(F)F)CC2 2356922 BHNUVSGFRWXWFG-UHFFFAOYSA-N 401.406 3.470 0 40 HGAB Cc1cccc(OCCC(=O)Nc2ccc(S(=O)(=O)NCc3ccco3)cc2)c1 3459135 UAFGCZOBFWJYGU-UHFFFAOYSA-N 414.483 3.474 0 40 HGAB COc1ccc(CCNC(=O)[C@]2(C)CC2(Br)Br)cc1OC 3668490 RLHHVFCXXRBRSI-AWEZNQCLSA-N 421.129 3.259 0 40 HGAB CC1(C)O[C@@H]2O[C@@H](C(=O)Oc3ccc4ccccc4c3)[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O1 4303715 ZDCHMLLJWMHZBP-LYYGHALDSA-N 400.427 3.142 0 40 HGAB CCn1c(COc2c(C)cccc2C)nnc1SCC(=O)Nc1nnc(C)s1 4519809 ORVQUIWHIBVWTE-UHFFFAOYSA-N 418.548 3.385 0 40 HGAB Cc1ccc2sc(N3CCN(C(=O)[C@H]4COc5ccccc5O4)CC3)nc2c1C 4585356 GYWQSUKVJLYYML-GOSISDBHSA-N 409.511 3.402 0 40 HGAB COc1ccc(CCNC(=O)N[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1OC 5195896 DFWAJAOGXQREDE-MRXNPFEDSA-N 417.893 3.004 0 40 HGAB CCn1c(SCC(=O)NC(=O)Nc2ccc(C)cc2C)nc2ccccc2c1=O 5213591 XWGZPSRKOYVBRZ-UHFFFAOYSA-N 410.499 3.474 0 40 HGAB Cc1nc2sc(C(=O)OCC(=O)Nc3cccc(Cl)c3C)c(C)c2c(=O)[nH]1 5311662 HJCSAVCMEAGRSE-UHFFFAOYSA-N 405.863 3.359 0 40 HGAB Cc1ccccc1-n1nnnc1SCC(=O)Nc1nc2ccc(F)cc2s1 5353654 GBGDAYCNHQKYQP-UHFFFAOYSA-N 400.464 3.450 0 40 HGAB COc1ccc(CNC(=O)CN2C(=O)S/C(=C\c3ccc(F)cc3)C2=O)cc1 8117223 XBSIVVXJQLYLMI-YVLHZVERSA-N 400.431 3.187 0 40 HGAB C[C@H](C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)N1CCCc2ccccc21 8119089 HYEMZCDEFNLJKZ-CQSZACIVSA-N 421.950 3.370 0 40 HGAB Cc1cc(C(=O)CN2C(=O)N[C@](C)(c3ccc(F)c(F)c3)C2=O)c(C)n1C1CC1 8133115 WOGKDQWYGCAUFY-OAQYLSRUSA-N 401.413 3.368 0 40 HGAB O=c1cc(CSc2nnc(-c3cccnc3)o2)nc2ccc(Br)cn12 9125893 UPMPDGGHFSEHOU-UHFFFAOYSA-N 416.260 3.194 0 40 HGAB C[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)NCCC1=CCCCC1 9227680 GZOGIVURKSXYOL-CYBMUJFWSA-N 415.353 3.123 0 40 HGAB O=C(CNC(=O)c1ccc(Br)cc1)OCC(=O)c1c[nH]c2ccccc12 9284503 QWEHKTPBSQPIEV-UHFFFAOYSA-N 415.243 3.086 0 40 HGAB COc1ccc(Cl)cc1N1C(=O)[C@H]2[C@@H](C(=O)c3ccccc3)N3CCC[C@@H]3[C@@H]2C1=O 9450430 DGCKMEPKTUBWJY-NMLACTOBSA-N 424.884 3.184 0 40 HGAB Cc1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(Br)cc2)c(C)c1 10041489 CGTGGSWWKMXLOW-ZDUSSCGKSA-N 411.321 3.371 0 40 HGAB C[C@@H](Sc1nnc(-c2ccncc2)n1Cc1ccccc1)C(=O)NC[C@@H]1CCCO1 10213486 DFGGNMPKDSSYKF-APWZRJJASA-N 423.542 3.164 0 40 HGAB COc1ccc(N(CCCC(=O)N2CCC[C@H](C)C2)S(C)(=O)=O)cc1Cl 10541693 CAULLZKQSZROBC-AWEZNQCLSA-N 402.944 3.153 0 40 HGAB CNC(=O)c1ccc(S(=O)(=O)N2CCC(CCc3ccc(C)cc3)CC2)cc1 10672225 WAXCKFCEJZCQIX-UHFFFAOYSA-N 400.544 3.388 0 40 HGAB C[C@H](Oc1ccc(Br)cc1)C(=O)N[C@H]1CCS(=O)(=O)c2ccccc21 11003804 UMIJRGPYTBRYGN-LRDDRELGSA-N 424.316 3.251 0 40 HGAB CCCOc1ccc(C(=O)N(C)CC(=O)N2c3ccccc3NC(=O)C[C@H]2C)cc1 11919139 OANQCMAAMQODDY-MRXNPFEDSA-N 409.486 3.311 0 40 HGAB CCCS(=O)(=O)Nc1cccc(C(=O)Nc2ccc(N3CCCCC3)nc2)c1 12536136 SYEXKYKAKGQSTL-UHFFFAOYSA-N 402.520 3.476 0 40 HGAB O=C(NCCCc1ccccc1)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 12762702 LSFVZWCOCRQGKU-UHFFFAOYSA-N 422.497 3.115 0 40 HGAB O=C1C[C@@H](C(=O)NC2CCN(C(=O)Nc3ccccc3)CC2)c2ccc(F)cc2N1 12812160 MTMDSSFIOOKUAP-GOSISDBHSA-N 410.449 3.064 0 40 HGAB Cc1cc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)ccc1F 12847307 ZJGRCERGXUOCMT-SFHVURJKSA-N 410.898 3.257 0 40 HGAB O=C(CCNS(=O)(=O)/C=C/c1ccccc1)Nc1ccc(Br)cc1 13000559 URZRMMGDISLHQJ-ACCUITESSA-N 409.305 3.368 0 40 HGAB C[C@H](OC(=O)c1ccccc1OCc1ccc(Cl)cc1)C(=O)N1CCNC1=O 13003747 DNMOEPYZGZRNSU-ZDUSSCGKSA-N 402.834 3.016 0 40 HGAB O=C(COc1ccc(Cl)cc1)NCCCn1nc(-c2ccc(F)cc2)ccc1=O 13797356 NODUOOLJRIBYAZ-UHFFFAOYSA-N 415.852 3.288 0 40 HGAB CCN(Cc1ccccc1)C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 14241199 ROEZXQINZQCFPX-GOSISDBHSA-N 404.507 3.275 0 40 HGAB CCOCCCNC(=O)CCCN(c1cc(Cl)ccc1Cl)S(C)(=O)=O 14398371 SWAZFPITLOCYPJ-UHFFFAOYSA-N 411.351 3.082 0 40 HGAB O=C(CCn1nc(C(F)(F)F)c(Cl)c1C1CC1)N1N=CC[C@]1(O)C(F)(F)F 17091659 WRNCKWSGWHKDHV-LBPRGKRZSA-N 418.725 3.292 0 40 HGAB COc1ccc2cc(C(=O)NC[C@H](c3ccc(F)cc3)N3CCOCC3)c(C)nc2c1 18047325 YASIBJLXMRFGHK-HSZRJFAPSA-N 423.488 3.494 0 40 HGAB Cc1cc(-c2cnc(N3CCCC3)nc2[C@H]2CCCN(C(=O)c3ccncc3)C2)on1 19122201 IRZQDPVDLGWNMW-SFHVURJKSA-N 418.501 3.455 0 40 HGAB COc1ccc(-c2nnc3n2[C@H]2CCCC[C@H]2N(C(=O)c2cnc(C)cn2)C3)cc1 19238958 NPWKZCVQLJQFEE-MOPGFXCFSA-N 404.474 3.192 0 40 HGAB O=C(NCCc1nc(-c2ccccc2)cs1)c1ccc(N2C(=O)CCC2=O)cc1 19374334 PRPJVGUZSCBAFB-UHFFFAOYSA-N 405.479 3.436 0 40 HGAB Cc1sc2ncnc(NCCC(=O)Nc3ccc4c(c3)NC(=O)[C@@H](C)O4)c2c1C 19561674 YDOPOKLTADPESH-LLVKDONJSA-N 411.487 3.468 0 40 HGAB CC1(C)C[C@@H](NC(=O)CN2C(=O)COc3c(Cl)cccc32)c2ccccc2O1 19660954 ALUTXZDFRNLTRY-OAHLLOKOSA-N 400.862 3.484 0 40 HGAB O=C(c1sc2ccccc2c1[C@@H]1CN(Cc2ccccn2)CCO1)N1CCOCC1 19695696 WKRJEOJJUDDXLG-IBGZPJMESA-N 423.538 3.342 0 40 HGAB Cc1nc2ccccc2c(=O)n1CC(=O)Nc1nnc([C@@H](C)Oc2ccccc2)s1 19715248 RRMVBHILUOZHQX-CYBMUJFWSA-N 421.482 3.335 0 40 HGAB COc1ccc(-c2cc(C(=O)N3CC[C@](O)(c4ccc(C)cc4)C3)[nH]n2)c(OC)c1 19716247 PDGUFMGZHZSFGP-HSZRJFAPSA-N 407.470 3.136 0 40 HGAB COc1ccc(CN2CCN(C3CCN(Cc4ccccc4)CC3)CC2)cc1OC 19880269 QUFCNGNHCKGMCY-UHFFFAOYSA-N 409.574 3.486 0 40 HGAB CCOC(=O)N1CCN(Cc2nnc3c4ccccc4c(-c4ccccc4)nn23)CC1 20412940 NRBGUQIWAIWTDS-UHFFFAOYSA-N 416.485 3.219 0 40 HGAB COC(=O)c1ccccc1NC(=O)N1CCc2nc[nH]c2[C@@H]1c1cccc(OC)c1 20761688 MHPBQVUKTLZWFT-FQEVSTJZSA-N 406.442 3.385 0 40 HGAB biogenic CC(C)[C@@H](NCC(=O)N[C@H]1CCS(=O)(=O)C1)c1ccc(C2CCCCC2)cc1 21584312 VYPVGPUBAVECHM-RBBKRZOGSA-N 406.592 3.324 0 40 HGAB CCOc1ccc(CCCNC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)cc1 22331292 XDFUNLPDNYAILX-UHFFFAOYSA-N 424.950 3.254 0 40 HGAB O=C(NC[C@H](c1ccco1)N1CCc2ccccc2C1)C(=O)Nc1ccccc1F 22907429 KJXFKWWLXQCJBJ-HXUWFJFHSA-N 407.445 3.273 0 40 HGAB CC(=O)CCc1ccc(OC[C@@H](O)Cn2cnc3sc(C)c(C)c3c2=O)cc1 23383187 RKYMUBQMSURQOJ-KRWDZBQOSA-N 400.500 3.036 0 40 HGAB Cc1ccc(C(=O)C2CCN(C(=O)c3cccc(NS(C)(=O)=O)c3)CC2)c(C)c1 24452350 URLWLGDOLSRCGK-UHFFFAOYSA-N 414.527 3.410 0 40 HGAB Cc1cc(C)c(NC(=O)CNC(=O)[C@@H](NC(=O)Cc2ccccc2)C(C)C)c(C)c1 24865986 LYMAQZPJKYLNGT-QFIPXVFZSA-N 409.530 3.050 0 40 HGAB CC(C)(CNC(=O)c1ccc(SCc2cn3ccccc3n2)cc1)N1CCOCC1 24987624 GLPJCDXWTPPKSZ-UHFFFAOYSA-N 424.570 3.467 0 40 HGAB COc1ccc(NC(=O)c2cc3ccc(F)cc3nc2C)cc1NS(C)(=O)=O 25599763 GOPNFEPTGIRFQT-UHFFFAOYSA-N 403.435 3.315 0 40 HGAB O=C(Cc1cnn(-c2ccccc2)c1)OCCCCN1C(=O)c2ccccc2C1=O 25643013 NRLWVIAOKXXLNC-UHFFFAOYSA-N 403.438 3.034 0 40 HGAB O=C(NCc1ccc(OC(F)(F)F)cc1)c1ccc(CN2C(=O)CCC2=O)cc1 26063966 LERRNMRMGXDZKS-UHFFFAOYSA-N 406.360 3.164 0 40 HGAB COC[C@@H](C)NC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccccc1 27469886 NXSBODHCXSEPFJ-QGZVFWFLSA-N 404.532 3.156 0 40 HGAB CC(=O)c1ccc(Nc2nnc(SCc3ccc(Cl)cc3)n(N)c2=O)cc1 28535551 QUXPKKUIHWVLAG-UHFFFAOYSA-N 401.879 3.244 0 40 HGAB Cc1sc2ncn(CCC(=O)NCc3ccc(Cn4ccnc4)cc3)c(=O)c2c1C 30217633 AELRDBHLOQYHHQ-UHFFFAOYSA-N 421.526 3.026 0 40 HGAB COC(=O)c1cc(NC(=O)c2ccc(NS(C)(=O)=O)c(Cl)c2)ccc1Cl 30753208 BJCSMDQYQSNKNS-UHFFFAOYSA-N 417.270 3.404 0 40 HGAB C[C@@H](NC(=O)CCN1C(=O)COc2ccccc21)c1cccc(Br)c1 36393427 PPSUDSWFMNRRQY-CYBMUJFWSA-N 403.276 3.442 0 40 HGAB Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)Nc1ccc(-n2cnnn2)cc1 40129649 JBPAOLIBIQSVFX-UHFFFAOYSA-N 407.865 3.299 0 40 HGAB CCOc1ccccc1CCCNS(=O)(=O)c1ccc(N2CCCC2=O)c(C)c1 44903969 FWIFVGUOSWTOIJ-UHFFFAOYSA-N 416.543 3.432 0 40 HGAB O=C(NCCN1C(=O)S/C(=C/c2ccccc2)C1=O)c1ccccc1-n1cccn1 47242500 HDROZDVHTPARAK-XDJHFCHBSA-N 418.478 3.339 0 40 HGAB Cc1cccc(NC(=O)Cn2nc3c(SCc4ccccc4)nccn3c2=O)c1C 49009238 UAZSIOMZWHGKMX-UHFFFAOYSA-N 419.510 3.439 0 40 HGAB COC(=O)c1cc(Cl)ccc1NC(=O)CSc1nc2ccccc2c(=O)n1C 57472387 IMAOXFZXPDRFRO-UHFFFAOYSA-N 417.874 3.104 0 40 HGAB COC(=O)/C=C/c1cc(OC)c(OC)c(S(=O)(=O)Oc2ccc3c(c2)CCC3)c1 58003485 SUXHAJFWNQHQQS-JXMROGBWSA-N 418.467 3.146 0 40 HGAB O=C(NCCCN1CCc2ccccc2C1)NC[C@@H]1CCN(c2ccc(F)cc2)C1 58420989 AJCXIVMPVNOVMF-IBGZPJMESA-N 410.537 3.400 0 40 HGAB Cc1ccc(N2N=C(C(=O)Nc3ccc4c(c3)CN(CCC(C)C)C4)NCC2=O)cc1 69533549 PTYLRUPPLPARTJ-UHFFFAOYSA-N 419.529 3.245 0 40 HGAB O=C(CN1CC(=O)Oc2ccc(Cl)cc21)Nc1nc(-c2ccccn2)cs1 71287700 NYOHDFYMCZPNPG-UHFFFAOYSA-N 400.847 3.223 0 40 HGAB O=S(=O)(CC1CCCCC1)NC[C@@H](c1ccccc1Cl)N1CCOCC1 72230503 IDIHLTXNBNEHBE-IBGZPJMESA-N 400.972 3.213 0 40 HGAB C[C@H](C(=O)N1CCC2(CC1)C[C@@]1(CO2)NC(=O)c2ccccc2N1)c1ccccc1 72325237 ZAOPVGLSKIYUJD-XDHUDOTRSA-N 405.498 3.123 0 40 HGAB Cc1ccn(CCC(=O)N2CCC(c3cc(C(F)(F)F)n4nc(C)cc4n3)CC2)n1 72340813 KWCGEBZWIWVAOS-UHFFFAOYSA-N 420.439 3.358 0 40 HGAB CC(=O)Nc1cccc(-c2nccnc2[C@H]2CCCN(C3CCN(C(C)=O)CC3)C2)c1 72359110 GESONMXEORMHGU-FQEVSTJZSA-N 421.545 3.292 0 40 HGAB CC(=O)N1N=C(c2ccnn2C)C[C@@H]1c1cc2cc3c(cc2nc1Cl)OCCO3 79047358 ZKWZPSVQMKYPIE-QGZVFWFLSA-N 411.849 3.091 0 40 HGAB CCCCCCNC(=O)c1ncn2c1CN(CC(C)C)S(=O)(=O)c1ccccc1-2 96266168 HZPXOKVLMNKYAR-UHFFFAOYSA-N 418.563 3.343 0 40 HGAB COc1ccc2c(c1)O[C@]1(C[C@H]3CC[C@H]1C[C@H]3C(=O)N[C@H](C)c1ccccn1)NC2=O 100181882 QGCPTJCQAHVQQH-KYUWJVDXSA-N 421.497 3.222 0 40 HGAB O=C1[C@@H]2[C@@H](c3ccc(F)cc3)N3CCCN3[C@H]2C(=O)N1c1ccc(Cl)c(F)c1 102697614 WNFVFUSZNAITIF-KZNAEPCWSA-N 403.816 3.154 0 40 HGAB O=C(CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)NCCC(c1ccccc1)c1ccccc1 103066419 LKFSCDRJXKBJKB-FGZHOGPDSA-N 402.494 3.276 0 40 HGAB COc1ccc([C@@H]2CCCN2CN2C(=O)N[C@]3(CCCC[C@@H]3C)C2=O)c(OC)c1 103437201 XVRDAHOIFCIAKM-VPKVUBIPSA-N 401.507 3.299 0 40 HGAB CCn1c(CN[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)nc2cc(S(=O)(=O)N(C)C)ccc21 104811551 AARBYCJMFDHJKU-NBOOPKSLSA-N 404.580 3.221 0 40 HGAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N(C)c3ccc(F)cc3)CC2)cc1 222576967 UJANHSPSKOURSU-UHFFFAOYSA-N 420.506 3.288 0 40 HGAB COc1cccc(-c2noc(CNC(=O)[C@@H]3CCCN(Cc4ccc(F)cc4)C3)n2)c1 222599791 SOGPNFKEDWBNRL-GOSISDBHSA-N 424.476 3.413 0 40 HGAB COc1ccc(C)cc1N(CCCC(=O)NCCc1ccc(F)cc1)S(C)(=O)=O 224763962 RCURIYKNBLLACG-UHFFFAOYSA-N 422.522 3.048 0 40 HGAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-n1cnnc1 225009167 CMULRYQQNSUKIV-VQTJNVASSA-N 407.547 3.318 0 40 HGAB CCn1c(=O)sc2cc(S(=O)(=O)N[C@@H]3CCCc4cc(OC)ccc43)ccc21 225697698 MBHWOHFFAVGDRE-QGZVFWFLSA-N 418.540 3.447 0 40 HGAB COCCNC(=S)Nc1nc(N2CCCCCC2)cc(N2CCCC[C@@H]2C)n1 225898572 OIPXWQIPMKOLRO-INIZCTEOSA-N 406.600 3.169 0 40 HGAB FC(F)(F)c1ccc(N2CCN(C3CCN([C@H]4CCSC4)CC3)CC2)nc1 244998799 KTYCUWORLHQRTK-KRWDZBQOSA-N 400.514 3.192 0 40 HGAB O=C(NCC[C@H]1CCCCN1C(=O)c1ccccc1Cn1cncn1)c1ccccc1 257214102 CKNABYXRFPAAQJ-OAQYLSRUSA-N 417.513 3.141 0 40 HGAB CN(C)C(=O)c1sc2nc([C@@H]3CCCCN3C(=O)C3CCOCC3)ccc2c1N 257286889 PNMRGYRGJGTCQV-INIZCTEOSA-N 416.547 3.061 0 40 HGAB COc1ccc(CC(=O)NC[C@H]2CC[C@H](c3nc(C)ncc3C(=O)N(C)C)CC2)cc1 257331397 XSRMXEHKDJZEDS-WGSAOQKQSA-N 424.545 3.128 0 40 HGAB COc1ccccc1CCNC(=O)[C@@H]1C[C@H]2CC[C@H]1C[C@@]21NC(=O)c2ccccc2N1 257336480 YOQTVNUMHCYTED-LWTKMMONSA-N 419.525 3.342 0 40 HGAB CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3c(F)cccc3F)C2)cc1 408561831 VTXOKJXGWDWGGJ-AWEZNQCLSA-N 424.469 3.403 0 40 HGAB CCCCCCNC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccccc1OC 408710276 VNVQXATYLBASDB-UHFFFAOYSA-N 411.502 3.260 0 40 HGAB Cc1sc(-n2cnnn2)c(C(=O)N[C@H](c2nc3ccccc3n2C)C(C)C)c1C 524732682 WGIOFRZJUGVMDM-KRWDZBQOSA-N 409.519 3.354 0 40 HGAB Cc1c(NC(=O)N2CC(=O)N(C)[C@@H]2c2ccccc2)cccc1C(=O)N1CCCC1 554428390 MKDGTNSLKXCXFO-NRFANRHFSA-N 406.486 3.236 0 40 HGAB O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@@H]1C[C@H]1c1ccc(Cl)cc1 1530943770 AUVNUHYTGHUHPD-RBUKOAKNSA-N 420.918 3.103 0 40 HGAB COc1ccc([C@@H](CC(=O)NCCc2ccc(O)cc2)c2oc(C)cc(=O)c2O)cc1 1547139026 YUQQEBCGFAADBX-HXUWFJFHSA-N 423.465 3.249 0 40 HGAB biogenic O=C(N[C@@H]1CCCN(c2ccccc2Cl)C1=O)[C@@H]1CCO[C@@H](c2ccccc2)O1 1634293008 NASQEXKVMMHPIP-ZWCUEREDSA-N 414.889 3.456 0 40 HGAB COc1cc(N(CC(=O)N(C)c2ccccc2)S(C)(=O)=O)c(Cl)cc1Cl 1394062 KAIHBXYQAUFXFG-UHFFFAOYSA-N 417.314 3.431 0 40 HGAB C/C(NCc1cccc(F)c1)=C1/C(=O)NC(=O)N(c2ccc(C(F)(F)F)cc2)C1=O 1407376 KEALQJQEYDXMFY-LFIBNONCSA-N 421.350 3.491 0 40 HGAB Cc1c(Cl)cccc1NC(=O)COC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 1985853 XKIUJYWHVBFHMC-INIZCTEOSA-N 400.862 3.179 0 40 HGAB COC(=O)c1c(NC(=O)CSc2nnc3ccccn23)sc2c1CCCC2 2886895 KISGRRCDHJXJMB-UHFFFAOYSA-N 402.501 3.187 0 40 HGAB O=C(Nc1ccccc1C(=O)OCC(=O)N1CCc2ccccc2C1)c1ccco1 3244742 SCKARRVQEUKWMA-UHFFFAOYSA-N 404.422 3.274 0 40 HGAB Cc1ccc(N2C(=O)N(CC(=O)Nc3ccccc3OC(F)F)C(=O)[C@H]2C)cc1 3353733 QLNYFOUCVAOSHP-CYBMUJFWSA-N 403.385 3.392 0 40 HGAB CCOC(=O)N1CCN(C(=O)/C=C/c2c(C)nn(-c3ccc(F)cc3)c2Cl)CC1 3362022 KZUOLEDMGFKECT-CMDGGOBGSA-N 420.872 3.287 0 40 HGAB CCOc1ccccc1-n1nnnc1SCC(=O)N[C@@H](C)CCc1ccccc1 3497072 ZJMKYUDMLFFFRK-INIZCTEOSA-N 411.531 3.291 0 40 HGAB CCOC(=O)Cn1cc(/C=C2\NC(=S)N(c3ccccc3)C2=O)c2ccccc21 3641996 CCMWRDMZSSOJEI-PDGQHHTCSA-N 405.479 3.467 0 40 HGAB O=C1Cc2cc(NS(=O)(=O)c3ccc(Br)cc3)cc3c2N1CCC3 4270416 QYOMDPFJJKMWRS-UHFFFAOYSA-N 407.289 3.085 0 40 HGAB COC(=O)c1ccc(NC(=O)COc2ccc(I)cc2)cc1 5050554 LAKAZOJLHJARDL-UHFFFAOYSA-N 411.195 3.095 0 40 HGAB NC(=O)c1ccc(NC(=O)c2cccn(Cc3cccc(C(F)(F)F)c3)c2=O)cc1 5270325 IAGZYAIDKSPCRR-UHFFFAOYSA-N 415.371 3.267 0 40 HGAB CCOC(=O)Cc1cs/c(=N\c2cccc(Cl)c2)n1CCCN1CCOCC1 5299015 MMHSLTPYADIHBF-XDOYNYLZSA-N 423.966 3.263 0 40 HGAB COc1ccc(Cl)cc1NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 5575646 ZFKHMKPCHZCBHB-LBPRGKRZSA-N 402.834 3.111 0 40 HGAB CCCNC(=O)CN(CCc1ccccc1)S(=O)(=O)c1c(C)cc(C)cc1C 6430433 VOAFQCQLVLBHGX-UHFFFAOYSA-N 402.560 3.371 0 40 HGAB CCOC(=O)[C@H]1CCCCN1C(=O)CN1CCC(c2nc3ccccc3s2)CC1 6978591 JLKLQDBLNBTYND-GOSISDBHSA-N 415.559 3.420 0 40 HGAB CCn1c(SCC(=O)NCc2cc(OC)c(OC)cc2OC)nc2ccccc21 7153968 BPQTZSXOHPNJTB-UHFFFAOYSA-N 415.515 3.491 0 40 HGAB CCCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2ccc(Br)cc2)n1 7420269 FCQSXKRUDKJIOT-UHFFFAOYSA-N 416.279 3.231 0 40 HGAB CCc1nnc(S/C(=C\c2ccc(I)cc2)C(=O)O)o1 7508232 DPGCYAWHIDBVJI-YFHOEESVSA-N 402.213 3.454 0 40 HGAB 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414.535 3.445 0 40 HGAB Cc1cc(N2CCN(C)CC2)ccc1NC(=O)[C@@H]1CCCN1C(=O)c1cccs1 12542110 YCHDPIOGZBQRQP-IBGZPJMESA-N 412.559 3.052 0 40 HGAB Cc1ccc(NC(=O)CN2CCN(C(=O)CCC(=O)c3ccc(C)cc3)CC2)cc1 12764164 PELDNVRGYVDCRE-UHFFFAOYSA-N 407.514 3.049 0 40 HGAB CCN(CC)C(=O)c1cccc(NC(=O)[C@@H](NC(=O)Cc2ccccc2)C(C)C)c1 12780582 XQIUCEFRIVTSIX-QFIPXVFZSA-N 409.530 3.491 0 40 HGAB COc1cc(/C=C/C(=O)NCc2ccc(Cn3cccn3)cc2)cc(OC)c1OC 12795285 HBAKPNLIBWNUAA-MDZDMXLPSA-N 407.470 3.287 0 40 HGAB O=S(=O)(NCc1ccc(CN2CCOCC2)cc1)c1cccc(Cl)c1Cl 12994631 SWGLYPGLGQZFCX-UHFFFAOYSA-N 415.342 3.304 0 40 HGAB Cc1cc(C)n(CCC(=O)N2CCc3onc(Nc4c(C)cccc4C)c3C2)c(=O)n1 19235775 WNJLVNLQRSSLHY-UHFFFAOYSA-N 421.501 3.184 0 40 HGAB O=C(NCc1ccncc1)[C@@H]1CN(Cc2ccccc2)C[C@H]1C(=O)c1ccc(F)cc1 19372584 GBHQMGOSHAUMHN-DHIUTWEWSA-N 417.484 3.468 0 40 HGAB Cc1nc([C@@H]2CCCN2Cc2cnn(C)c2C)nc2c1CCC(=O)N2CCC(C)C 19740576 LUERWTDTQSMRJD-FQEVSTJZSA-N 410.566 3.489 0 40 HGAB CCn1cc(CN2CCO[C@@H](c3cc(C(=O)NCC(C)C)c4ccccc4n3)C2)cn1 19762899 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Cc1cc(C)cc(N([C@@H](C)C(=O)NCCOc2ccc(C)c(C)c2)S(C)(=O)=O)c1 223895077 PBXSXSCAGJZESY-IBGZPJMESA-N 418.559 3.270 0 40 HGAB O=S(=O)(NCc1nccc(N2CCCC2)n1)c1ccc(Oc2ccccc2)cc1 224155668 FPIDIDIGZUJYPU-UHFFFAOYSA-N 410.499 3.348 0 40 HGAB Cc1ccc(-c2nnc(NC(=O)[C@H](C)N(c3ccccc3)S(C)(=O)=O)s2)cc1 224327738 GKGISLJAKCVMCN-AWEZNQCLSA-N 416.528 3.307 0 40 HGAB Cc1ccc(N(CCCC(=O)NCCOc2ccc(Cl)cc2)S(C)(=O)=O)cc1 224628289 ANZOZOARYOOLAO-UHFFFAOYSA-N 424.950 3.390 0 40 HGAB Cc1cc(NC(=O)C(C)(C)Oc2nn(-c3ccccc3)cc2Br)n(C)n1 227159765 RIYAXBMCBZBUOJ-UHFFFAOYSA-N 418.295 3.473 0 40 HGAB COCCC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccc(C(=O)O)cc4)OCC[C@@]31C2 257263095 LOIZTRMEKQDUQQ-ZIVVNCDHSA-N 401.503 3.420 0 40 HGAB COc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)C(C)C)c2ccc(C)cc2)cc1 260900016 RPUNVDSTVQNFPP-QGZVFWFLSA-N 404.532 3.360 0 40 HGAB COc1ncccc1CN1C[C@@H]2[C@@H](C1)n1cccc1C(=O)N2Cc1ccc(F)cc1 306133408 MKKOHVIZIFSATR-NHCUHLMSSA-N 406.461 3.112 0 40 HGAB CCCc1onc(C)c1C(=O)N1CC2(C[C@@H](COCc3cccnc3)CCN2C)C1 306135650 OWUOZSKPZQWDAK-SFHVURJKSA-N 412.534 3.084 0 40 HGAB CCOc1ccc(S(=O)(=O)NCCCOC(C)C)cc1NC(=O)c1ccccc1 408558134 INPIIUUFSZUOSI-UHFFFAOYSA-N 420.531 3.431 0 40 HGAB Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)N1[C@@H](C)Cc2cc(F)ccc2[C@@H]1C 537696502 HMHKPXOCWKTVFN-JSGCOSHPSA-N 423.492 3.051 0 40 HGAB O=C(c1ccc2nccnc2c1)N1CC[C@H](c2ccccc2Cl)S(=O)(=O)CC1 575616969 LVSBCAXEIIVKNV-LJQANCHMSA-N 415.902 3.285 0 40 HGAB Cc1cc(OC[C@]2(O)CCCN(CC(=O)NCc3ccccc3)C2)cc(C)c1Cl 585271540 ALPPHXRRKANGLU-QHCPKHFHSA-N 416.949 3.479 0 40 HGAB Cn1cc(/C=C/C(=O)N2CCC[C@H](Cc3cccc(Nc4ccccn4)n3)C2)cn1 585291110 KQACIVCMGAFQAF-DOJUMQAQSA-N 402.502 3.448 0 40 HGAB CCc1nnc(Nc2cc([C@H]3CCCN3C(=O)/C=C/c3ccco3)nc(C)n2)s1 585291652 DWIYPUQOBQRYJE-ROJDOSBLSA-N 410.503 3.912 0 40 HGAB COc1ccc2c(c1)CCCN(S(=O)(=O)c1cc3c(cc1Cl)OCCO3)C2 590795777 SFTVYBNBMLFBLZ-UHFFFAOYSA-N 409.891 3.257 0 40 HGAB CC(C)CCNC(=O)c1ccc2c(c1)Cc1cccc(c1)C(=O)NCCOCCO2 643573045 OGYFJYAWSOATNZ-UHFFFAOYSA-N 410.514 3.192 0 40 HGAB CC(C)N1C(=O)c2ccccc2[C@@H](C(=O)N(C)C)C12CCN(Cc1cccnc1)CC2 1549166813 IUUKIIPGKWNYSA-QFIPXVFZSA-N 420.557 3.152 0 40 HGAB Cn1c(C(=O)NCc2cccs2)nc2c1CCN(C(=O)[C@H]1CC[C@H](C)CC1)CC2 1565556123 NPTDWSCYPKLWMQ-WKILWMFISA-N 414.575 3.165 0 40 HGAB CC(C)(C)c1ccc(OCC2CCN([C@H]3CCN(CC(F)(F)F)C3=O)CC2)nn1 1775965989 OSBOFKOSQJGGAT-HNNXBMFYSA-N 414.472 3.028 0 40 HGAB O=C([C@H]1CN(Cc2ccc(OC(F)(F)F)cc2)CCO1)N1CCC(F)(F)CC1 2087142522 HXQXJWJPNYQWCW-OAHLLOKOSA-N 408.367 3.044 0 40 HGAB COc1ccc(NC(=S)N(CCO)Cc2cc3c(C)ccc(C)c3[nH]c2=O)cc1 878474 MDPAAFOSOQMKPK-UHFFFAOYSA-N 411.527 3.345 0 40 HGAB O=c1cccc2n1C[C@@H]1C[C@@H]2CN(C[C@@H](O)COc2ccc(Cl)cc2Cl)C1 2096476 RJIRXXZCCHBEJI-IIAWOOMASA-N 409.313 3.014 0 40 HGAB biogenic Cc1ccc(S(=O)(=O)N(C[C@H](O)CN(C)C)c2cc(Cl)ccc2Cl)cc1 2202325 QSWBEPXPPKTGDS-OAHLLOKOSA-N 417.358 3.420 0 40 HGAB Cc1ccc(N2CN=c3s/c(=C\c4cccc(Cl)c4)c(=O)n3C2)cc1Cl 2258260 MPYFRAWNGGHZCC-IUXPMGMMSA-N 404.322 3.409 0 40 HGAB CC(C)c1nnc(NC(=O)CCC(=O)N2CCN(c3cccc(Cl)c3)CC2)s1 2368275 KJYLYTJTAKYMGT-UHFFFAOYSA-N 421.954 3.382 0 40 HGAB COc1ccc2oc(C(=O)OCC(=O)NCc3ccc(OC)c(OC)c3)c(C)c2c1 3340183 PDLVJXYHNUWVAU-UHFFFAOYSA-N 413.426 3.240 0 40 HGAB COc1cc(Cl)c(C)cc1NC(=O)COC(=O)c1cc(OC)c(OC)cc1OC 3446193 WBUPXBNDBYPAFN-UHFFFAOYSA-N 423.849 3.478 0 40 HGAB Cc1ccc([C@]2(C)NC(=O)N(CC(=O)c3ccc(Br)cc3)C2=O)cc1 3610523 BZBOKBPVAWJGGN-IBGZPJMESA-N 401.260 3.407 0 40 HGAB O=C(C[S@](=O)Cc1ccco1)NCCCOc1cccc(CN2CCCCC2)c1 3781665 IWLUMUDDKHJJPB-LJAQVGFWSA-N 418.559 3.100 0 40 HGAB investigational CCn1c(=O)c2c(nc3n(-c4ccc(C)c(C)c4)c(-c4ccccc4)cn23)n(C)c1=O 4304047 KBKLBUPLSATPQQ-UHFFFAOYSA-N 413.481 3.442 0 40 HGAB Cc1ccc(OCC(=O)N(Cc2cccc(Cl)c2)[C@H]2CCS(=O)(=O)C2)cc1 4318683 JRYLTGLSMPIZMV-SFHVURJKSA-N 407.919 3.243 0 40 HGAB Cc1ccc(-n2ncc3c(=O)n(CC(=O)N4CCCc5ccccc54)cnc32)c(C)c1 4479250 MMMFSLNQKWYOFQ-UHFFFAOYSA-N 413.481 3.178 0 40 HGAB CC1(C)CC(=O)c2sc(NC(=O)CCS(=O)(=O)c3ccc(F)cc3)nc2C1 4496261 IXBRXZPVGINKOK-UHFFFAOYSA-N 410.492 3.240 0 40 HGAB O=c1/c(=C/c2ccc(O)cc2)sc2n1[C@@H](c1ccccc1)C(c1ccccc1)=NN=2 4537623 CTHGCMCEROPAJR-BARSGRSVSA-N 411.486 3.071 0 40 HGAB Cc1cc(C(=O)COC(=O)Cn2c(=O)oc3ccccc32)c(C)n1Cc1ccco1 4884010 BOEUTJLNNPIZSD-UHFFFAOYSA-N 408.410 3.080 0 40 HGAB O=C(C[C@@H]1OCCN(Cc2ccccc2)C1=O)Nc1ccc(Br)cc1 5773506 YIEVLGXLVZLTJH-KRWDZBQOSA-N 403.276 3.205 0 40 HGAB CCC1CCC2(CC1)NC(=O)N(CC(=O)Nc1ccc(Br)cc1)C2=O 6397245 NCEVULFPZVHJQW-UHFFFAOYSA-N 408.296 3.278 0 40 HGAB COc1ccc(NC(=O)Cn2cnc3scc(-c4ccc(F)cc4)c3c2=O)cn1 6647156 NMMLCMUISQNZNG-UHFFFAOYSA-N 410.430 3.306 0 40 HGAB CN(CCc1ccccc1)S(=O)(=O)c1csc(C(=O)Nc2ccccn2)c1 6681052 YLRUQMLXXHCSRD-UHFFFAOYSA-N 401.513 3.259 0 40 HGAB COc1cc(C(=O)COCC(=O)c2cc(OC)c(C)cc2OC)c(OC)cc1C 7078423 VHEDYJLUHIJHSL-UHFFFAOYSA-N 402.443 3.420 0 40 HGAB COC(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1-c1ccc(OC)c(OC)c1 7734856 UQBRMVAJFVNZRP-LBPRGKRZSA-N 400.456 3.057 0 40 HGAB C[C@@H](NC(=O)CSc1nnnn1-c1ccc(O)cc1)c1ccc2c(c1)CCCC2 7834062 UCQNNBXEFALWEU-CQSZACIVSA-N 409.515 3.216 0 40 HGAB CC(=O)NC1=NN(C(C)=O)[C@]2(S1)C(=O)N(Cc1ccc(C)cc1)c1c(C)cccc12 8843709 WQOJXKGMFWOWHN-JOCHJYFZSA-N 422.510 3.005 0 40 HGAB O=C(CCc1nc2ccccc2n(CCc2ccccc2)c1=O)NCc1cccnc1 9118106 JBNAZEDDUOJYLR-UHFFFAOYSA-N 412.493 3.283 0 40 HGAB Cc1c(Cl)cccc1NC(=O)CSc1nnc(CNC(=O)c2ccco2)n1C 9305374 BYYPOLCHMXGAEX-UHFFFAOYSA-N 419.894 3.031 0 40 HGAB Cc1ccc2nc(CSCC(=O)N3c4ccccc4NC(=O)C3(C)C)cc(=O)n2c1 9376261 BDGPXPHBLSGTMF-UHFFFAOYSA-N 422.510 3.000 0 40 HGAB Cc1cccc(NC(=O)CNC(=O)CSc2nnc(NC(C)(C)C)s2)c1C 9449449 VXYCMUUXBKYNIQ-UHFFFAOYSA-N 407.565 3.212 0 40 HGAB COc1ccc(C(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C2)cc1 9590759 KNFZBBMICVLDMJ-HNNXBMFYSA-N 401.846 3.436 0 40 HGAB COc1cn(CC(=O)NCc2ccccc2Cl)c(CN2CCCCCC2)cc1=O 9622146 GNJLHVPRHBKQPI-UHFFFAOYSA-N 417.937 3.203 0 40 HGAB CCOc1ccc(-c2nnc(O)c3c2[C@H](c2cccc(F)c2)n2nnnc2N3)cc1 10295860 MOLBUAJNHUYWMR-SFHVURJKSA-N 405.393 3.068 0 40 HGAB O=C(c1cccc(Br)c1)N1CCC(NS(=O)(=O)c2ccccc2)CC1 10375253 HBRBESNCXRNEHQ-UHFFFAOYSA-N 423.332 3.032 0 40 HGAB CCn1cc(C(=O)N2CCC[C@H](n3nnc4cc(C(F)(F)F)ccc43)C2)c(C)n1 12184898 VSPAQKAWJWTGPD-AWEZNQCLSA-N 406.412 3.452 0 40 HGAB CC(=O)NC1(c2ccccc2)CCN(C[C@H](O)c2ccc3c(c2)OCCCO3)CC1 12228221 KIDBZEUXQPZUSX-NRFANRHFSA-N 410.514 3.009 0 40 HGAB COc1cc(CNC(=O)[C@H]2[C@@H]3[C@H]2CC[C@@]32CC(=O)c3ccccc3O2)cc(OC)c1 12327670 CMVHSIXDJRAZPD-STCFVSJZSA-N 407.466 3.380 0 40 HGAB O=C(CNC(=O)c1ccc2nc(-n3cccc3)sc2c1)NCCc1cccs1 12408640 VUJBEOANCODXFE-UHFFFAOYSA-N 410.524 3.237 0 40 HGAB CCN(C(=O)CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)C1=CCCC1 12857305 GZMRPYYHMNDODT-UHFFFAOYSA-N 403.482 3.398 0 40 HGAB COc1cc(C(=O)N[C@@H](C)c2cc3ccccc3o2)cc(Cl)c1OCC(N)=O 12906651 JJBUTJDLFUGTLF-NSHDSACASA-N 402.834 3.450 0 40 HGAB Cc1ccc(CNC(=O)c2ccccc2NS(=O)(=O)c2ccc(C(=O)O)cc2)cc1 13059088 VUJBSUSIWVRVMA-UHFFFAOYSA-N 424.478 3.424 0 40 HGAB O=C(O)CCc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N2CCCCC2)cc1 13079281 UOTJFNUHACIQQF-UHFFFAOYSA-N 416.499 3.131 0 40 HGAB CC[C@@H](C(=O)Nc1cccc(NC(C)=O)c1)N(c1ccc(C)c(C)c1)S(C)(=O)=O 13716770 IWKKEMVQFACCDK-FQEVSTJZSA-N 417.531 3.445 0 40 HGAB COc1cc(/C=C2/NC(=S)NC2=O)ccc1OC(=O)C12CC3CC(CC(C3)C1)C2 13943817 KNVDZKUARCPDPN-FRKPEAEDSA-N 412.511 3.162 0 40 HGAB COc1ccc(CN(C)C[C@H](O)COc2cccc(Br)c2)cc1OC 14245978 MTBPKQILBWFYII-INIZCTEOSA-N 410.308 3.338 0 40 HGAB O=C(C[C@@H]1Sc2ccc(Cl)cc2NC1=O)NC[C@@H]1COc2ccccc2O1 14254732 PDTOROJZEQMHMY-PXAZEXFGSA-N 404.875 3.099 0 40 HGAB CN(Cc1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1)S(C)(=O)=O 14397797 SXZZESDHNLZFMD-UHFFFAOYSA-N 416.421 3.114 0 40 HGAB O=C1C[C@@H](C(=O)Nc2ccccc2C(F)(F)F)n2nc(-c3ccccc3)nc2N1 14607320 MCKJHPPORYEMJU-AWEZNQCLSA-N 401.348 3.486 0 40 HGAB CC(=O)c1sc(NC(=O)CN2C(=O)[C@H]3CCCC[C@H]3C2=O)nc1-c1ccccc1 14658318 XPNIFURXMCMSAV-GASCZTMLSA-N 411.483 3.126 0 40 HGAB O=C(Cc1csc(N2CCCC2=O)n1)Nc1ccccc1C(=O)NC1CCCC1 18085731 YWCRXZPYZAEKMS-UHFFFAOYSA-N 412.515 3.124 0 40 HGAB CC(=O)NC12C[C@H]3C[C@@H](C1)CC(C(=O)N[C@@H](c1ccc(F)cc1)c1nccn1C)(C3)C2 19021196 DCEDRGAKYBGYDT-UWKQIBKCSA-N 424.520 3.240 0 40 HGAB Cc1ccccc1NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccc2nsnc12 19077889 ZRVGEWDPTHQDAN-INIZCTEOSA-N 416.528 3.182 0 40 HGAB O=C(c1nc[nH]n1)N1CCC[C@H](c2nc(-c3cccs3)cc(C(F)(F)F)n2)C1 19344401 LNRQYQUTEAQAAO-JTQLQIEISA-N 408.409 3.362 0 40 HGAB O=S(=O)(c1ccccc1F)N1CCc2cc3c(cc2[C@H]1C1CCOCC1)OCO3 19349840 RPXHLYOKKHNZBU-OAQYLSRUSA-N 419.474 3.269 0 40 HGAB CCc1n[nH]c(C(=O)NC2CCN(Cc3cc(-c4ccccc4F)nn3C)CC2)c1C 19520984 YGRIDPSIWFQCBT-UHFFFAOYSA-N 424.524 3.215 0 40 HGAB CCN1CCN(C(=O)Cn2cccn2)C[C@@H](Cc2ccccc2-c2ccccc2)C1=O 19527644 RQGKCEOCERTNTO-JOCHJYFZSA-N 416.525 3.100 0 40 HGAB COc1cccc(CN2CC=CC[C@H](C3CCN(Cc4ccnn4C)CC3)C2=O)c1 19698538 KYZMNXLBBABEGK-HSZRJFAPSA-N 408.546 3.246 0 40 HGAB COCCN1CCCC[C@H](C2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)C1=O 19744982 TZUUNVNJCBVXDF-OAQYLSRUSA-N 411.546 3.224 0 40 HGAB Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1C 19790593 IUBMMBZGYYIJNH-UHFFFAOYSA-N 416.543 3.155 0 40 HGAB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1cc(Cl)ccc1OC 20009330 QSTWBWRHQWTXPZ-RHSMWYFYSA-N 424.950 3.153 0 40 HGAB Cc1cc(C)c(C(=O)[C@H](C)Sc2nnc(C[C@@H]3CCS(=O)(=O)C3)o2)cc1C 21624513 FHKGSADFPZVNAP-GJZGRUSLSA-N 408.545 3.336 0 40 HGAB COc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccccc2Cl)c1 22229779 FPUZALCFZCSWCG-KRWDZBQOSA-N 408.907 3.449 0 40 HGAB COc1ccc(CCNC(=O)Nc2ccc(Cl)c(N3CCCS3(=O)=O)c2)cc1 22506339 BWXNFKCGNJXPTH-UHFFFAOYSA-N 423.922 3.253 0 40 HGAB O=C(CN1CCN(Cc2ccc(Cl)s2)CC1)NCCc1c[nH]c2ccccc12 22777346 IKVXISVZGDKRFS-UHFFFAOYSA-N 416.978 3.359 0 40 HGAB Cc1ccc(C(=O)[C@H](C)OC(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)cc1C 23062417 BPWADRKXTFJLPD-HNNXBMFYSA-N 401.484 3.172 0 40 HGAB COc1ccc([C@@H](CNC(=O)CCc2nnc(-c3ccsc3)o2)N(C)C)cc1 23178149 NYYOSVUNJLESAM-QGZVFWFLSA-N 400.504 3.158 0 40 HGAB COc1ccccc1[C@@H](CNc1ccc2nnc(C(F)(F)F)n2n1)N1CCCC1 24893372 UIFZKTJNSIGSMV-CQSZACIVSA-N 406.412 3.401 0 40 HGAB CCCOc1ccc2ccccc2c1CN(C)C(=O)Cn1nc2n(c1=O)CCCCC2 24974400 OMMBMANHOVIADW-UHFFFAOYSA-N 422.529 3.372 0 40 HGAB CCOC(=O)C1(c2ccccc2)CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 25047929 IHWXVYKNKCZVGN-UHFFFAOYSA-N 409.454 3.250 0 40 HGAB Cn1cc(/C=C/C(=O)Nc2cc(NC(=O)c3ccc4c(c3)OCO4)ccc2F)cn1 27719683 RDTBZVKWTNMXHT-FARCUNLSSA-N 408.389 3.192 0 40 HGAB CCn1c(SCC(=O)Nc2cccc(NC(C)=O)c2)nc2ccsc2c1=O 27820209 OIYXUCIYMCZDQH-UHFFFAOYSA-N 402.501 3.167 0 40 HGAB CCN(CC)S(=O)(=O)c1cccc(C(=O)OCc2nc3ccccc3nc2C)c1 32744881 FZJRSWSJQXJGNA-UHFFFAOYSA-N 413.499 3.326 0 40 HGAB O=C(CCC(=O)c1ccc(Cl)s1)NCc1ccc(C(=O)N2CCOCC2)cc1 32901196 JRCDKTHJLQTFIL-UHFFFAOYSA-N 420.918 3.153 0 40 HGAB CCc1cccc(CC)c1NC(=O)[C@H](C)NS(=O)(=O)c1ccc(OC)c(C)c1 33807119 FPEBSGRJDCJIPQ-HNNXBMFYSA-N 404.532 3.434 0 40 HGAB O=C(CN1CCN(C(=O)c2cc3c(s2)CCC3)CC1)Nc1ccccc1Cl 34895960 QOBCUHVKQSUPOF-UHFFFAOYSA-N 403.935 3.287 0 40 HGAB O=C(c1csc(Nc2cccc(Cl)c2)n1)N1CCN(c2ncccn2)CC1 35596748 CUSJQLJTDZIHOX-UHFFFAOYSA-N 400.895 3.293 0 40 HGAB COc1ccccc1Cc1nnc(NC(=O)[C@H](c2ccccc2)N2CCOCC2)s1 36752280 RLQKDPJEAOQCNH-FQEVSTJZSA-N 424.526 3.150 0 40 HGAB COc1cccc2cc(C(=O)Nc3ccc4c(c3)N(S(C)(=O)=O)CCC4)oc12 38692696 OWHJKJAIOQSSKA-UHFFFAOYSA-N 400.456 3.406 0 40 HGAB O=C(NCCC1=CCCCC1)C(=O)NCC1CCN(C(=O)Oc2ccccc2)CC1 43941916 GRULTFXGEQNWHU-UHFFFAOYSA-N 413.518 3.020 0 40 HGAB Cc1ccc(-c2nc(CC(=O)Nc3ccc(N4CCCS4(=O)=O)cc3)cs2)o1 48279173 DEFNYIVXJWGXJI-UHFFFAOYSA-N 417.512 3.433 0 40 HGAB COc1cccc(CN(c2ccc(F)cc2)S(=O)(=O)c2cccn3cnnc23)c1 49404902 YIZKODQZVGNPRB-UHFFFAOYSA-N 412.446 3.273 0 40 HGAB Cc1ccc(-n2cc(C(=O)N3CCC(NC(=O)c4ccccc4F)CC3)nn2)cc1C 49406320 IFSFFULONZBXQH-UHFFFAOYSA-N 421.476 3.058 0 40 HGAB COc1ccc(N(Cc2ccc(F)cc2)S(=O)(=O)c2ccc3nncn3c2)cc1 49408305 AGGAFXUKNJHFRB-UHFFFAOYSA-N 412.446 3.273 0 40 HGAB COc1ccccc1N1CCN(CC(=O)Nc2c3c(nc4c2CCC4)CCCC3)CC1 57297190 VETJFZJHMKNJBC-UHFFFAOYSA-N 420.557 3.218 0 40 HGAB biogenic Cc1c(NC(=O)NCCOc2ccc(Cl)cc2)c(=O)n(-c2ccccc2)n1C 62579989 UNGBHSMHUOMSTK-UHFFFAOYSA-N 400.866 3.338 0 40 HGAB CSc1nc2cc(C)n(CC(=O)NCc3ccc(F)cc3)c2c(=O)n1CC(C)C 67319999 YVRKOBCJCUIEEP-UHFFFAOYSA-N 416.522 3.340 0 40 HGAB O=C(CC[C@H]1NC(=O)c2ccccc2N=C1O)Nc1nnc(Cc2ccccc2)s1 71286779 VRIDCBSHRTXTAE-MRXNPFEDSA-N 421.482 3.248 0 40 HGAB Cc1cccc(S(=O)(=O)c2cnc(N3CC=C(c4ccccc4)CC3)nc2N)c1 71772136 CCEYLRKUCIUVFE-UHFFFAOYSA-N 406.511 3.494 0 40 HGAB COc1cc(CNC(=O)CCOCC(F)(F)F)cc(Br)c1OC 72056202 ZJCOUAWKCQSPBB-UHFFFAOYSA-N 400.191 3.052 0 40 HGAB Cc1c(C(=O)OC[C@H](C)NC(=O)OC(C)(C)C)nnn1-c1cccc2cccnc12 72310773 COBXUZBRKOMLQZ-ZDUSSCGKSA-N 411.462 3.194 0 40 HGAB O=C(c1ccc(CN2CCOCC2)o1)N1CCCC[C@H]1c1nc2ccc(F)cc2[nH]1 72347489 JIXQWHLHPNZVSE-IBGZPJMESA-N 412.465 3.495 0 40 HGAB Nc1ncccc1C(=O)N1CC[C@H](c2cc(CCOc3ccc(Cl)cc3)[nH]n2)C1 72371683 SDIATSOIIWOJEF-AWEZNQCLSA-N 411.893 3.292 0 40 HGAB CCc1cccc(NC(=O)Nc2cnc(N3CCN(c4ccccn4)CC3)nc2)c1 77196672 MXMAKXAIWMDUGN-UHFFFAOYSA-N 403.490 3.405 0 40 HGAB CCC[C@@H](NC(=O)[C@@H](C)OC(=O)c1c[nH]c(=O)c(Br)c1)c1ccccc1 79052515 GJTFGFNDUMKLTN-MLGOLLRUSA-N 421.291 3.340 0 40 HGAB COc1cccc(N2CCN(S(=O)(=O)c3cc(F)c(F)cc3F)C[C@H]2C)c1 89939401 UTCUNZMVDCLCMG-GFCCVEGCSA-N 400.422 3.012 0 40 HGAB CC(C)c1cc(C(=O)N2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)cc(=O)[nH]1 95461117 WEAKCRVMXSISMQ-CYBMUJFWSA-N 402.882 3.038 0 40 HGAB CC(C)(C)CN(C[C@@H](O)c1ccccc1)S(=O)(=O)c1cccc2c1COC2=O 95461966 IYZWMHYNWIEZBO-GOSISDBHSA-N 403.500 3.127 0 40 HGAB CC[C@](CNC(=O)Cc1ccc(S(=O)(=O)C(C)C)cc1)(OC)c1ccccc1 96123729 XCVLKPCHXFODAL-JOCHJYFZSA-N 403.544 3.479 0 40 HGAB C[C@@H]1[C@@H](NC(=O)CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)CCC[C@H]1C 103251391 ZBKUHMZZMFGGLW-LQWHRVPQSA-N 419.525 3.423 0 40 HGAB COc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCCCC3)C2=O)cc(Cl)c1O 107775426 NENHBQRILJWXAJ-GDNBJRDFSA-N 424.906 3.493 0 40 HGAB COC[C@@]1(CN)[C@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 218228835 FZKUGDLVSLHEID-QYZOEREBSA-N 424.360 3.289 0 40 HGAB CCN(c1ccc(C(=O)NCCCN(C)c2ccccc2)cc1)S(=O)(=O)CC 222404915 QGZAEDOBUDPMRZ-UHFFFAOYSA-N 403.548 3.119 0 40 HGAB CN([C@@H](C(=O)N1CCC(Cc2ccccc2)CC1)c1ccccc1)S(C)(=O)=O 222744050 BYVLSKGPIZEYMR-OAQYLSRUSA-N 400.544 3.100 0 40 HGAB CN(C)CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1Cc1ccco1 223220089 NZQPCMQPODGIQO-NHCUHLMSSA-N 409.559 3.449 0 40 HGAB O=C(Nc1nnc(S(=O)(=O)N[C@@H]2CCCc3ccccc32)s1)c1ccccc1 223607162 HPWYGZVBBILLGK-MRXNPFEDSA-N 414.512 3.146 0 40 HGAB Cc1ccc(N(CC(=O)NCCOc2ccccc2C(C)(C)C)S(C)(=O)=O)cc1 223677770 NFKKXEXWMWANAT-UHFFFAOYSA-N 418.559 3.254 0 40 HGAB Cc1ccc(OCCNC(=O)c2cccc(N(C)S(C)(=O)=O)c2C)cc1Cl 224180481 NQOAIHOFUGKXLE-UHFFFAOYSA-N 410.923 3.161 0 40 HGAB CSc1cccc(N(CCCC(=O)NCCc2ccc(F)cc2)S(C)(=O)=O)c1 224803448 GVSFNZUPNAWPKG-UHFFFAOYSA-N 424.563 3.453 0 40 HGAB COc1ccc(-c2noc([C@H](C)O)c2C(=O)N2CCN(c3ccccc3)CC2)cc1 225431983 YCNNKMCAHQGVEG-INIZCTEOSA-N 407.470 3.366 0 40 HGAB biogenic,in-vitro Cc1nn(-c2ccccn2)c(C)c1CCNC(=O)C1(c2ccccc2)CCOCC1 225582601 GBRDVOPLWORRNS-UHFFFAOYSA-N 404.514 3.291 0 40 HGAB Cc1cc(F)ccc1S(=O)(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 225592545 ZSCYVMALXUMUIS-UHFFFAOYSA-N 412.508 3.110 0 40 HGAB COc1ccccc1CNC(=O)[C@H]1C[C@H]2CC[C@H]1C[C@@]21NC(=O)c2ccccc2O1 248116657 BOIGXBXCILJVCI-LOFUIXATSA-N 406.482 3.266 0 40 HGAB O=C(c1cc(-c2ccco2)on1)N1CCC(N2CC(=O)N(c3ccccc3)C2=O)CC1 253395034 WLEYSTALGSHKPI-UHFFFAOYSA-N 420.425 3.008 0 40 HGAB CC(=O)N1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)CN1CCCC1 257331044 XREISCPVLQAKGO-CAIUVPPLSA-N 423.601 3.474 0 40 HGAB COc1ccc(NC(=O)c2nnc3n2C[C@H]2CN(Cc4sccc4C)C[C@H]2C3)cc1 306129322 IAPYCKYCWPMVEG-HZPDHXFCSA-N 423.542 3.213 0 40 HGAB COC(=O)c1ccc(S(=O)(=O)NC[C@H](O)c2ccc(-c3ccsc3)cc2)cc1 618255564 FLROLBAITODVOL-IBGZPJMESA-N 417.508 3.214 0 40 HGAB COCc1c(C(=O)Nc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2C)oc2ccccc12 1116136344 YMMYVAQYTFYOLW-AWEZNQCLSA-N 417.487 3.004 0 40 HGAB Cc1ccc(OCC2CCN(C(=O)[C@H]3CC(=O)N(c4ccc(C)c(C)c4)C3)CC2)nn1 1775965950 MOPJQHPBSKCPNP-FQEVSTJZSA-N 422.529 3.072 0 40 HGAB Cc1nc(N)cc([C@@]2(C)CCCN(Cc3ccccc3OCCN3CCCC3)C2)n1 1848355928 UTXCCUXDXBRPRU-DEOSSOPVSA-N 409.578 3.396 0 40 HGAB Cc1ccc(OCC2(O)CCN(C(=O)CCn3cnc4ccccc43)CC2)cc1C 2037916031 IXQXLMMEUYONNZ-UHFFFAOYSA-N 407.514 3.476 0 40 HGAB Cc1n[nH]c(C)c1CN1CC[C@@H]2NC(=O)COc3ccc(F)cc3CCCC[C@@H]2C1 2037988726 GCKOVRXDTFXKHR-NQIIRXRSSA-N 414.525 3.278 0 40 HGAB CC(C)(C)OC(=O)[C@@H]1C(=O)C[C@@](C)(O)[C@@H](C(=O)OC(C)(C)C)[C@H]1c1cccc(O)c1 4112462 AGQCMGOCQVNZSM-PMECCGAFSA-N 420.502 3.115 0 40 HGAB C[C@@H](Sc1nc(-c2ccccc2)cn1N)C(=O)Nc1ccc(N2CCOCC2)cc1 4246919 HJNFVJYMYIYKCF-MRXNPFEDSA-N 423.542 3.220 0 40 HGAB COc1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@H]2c2ccccc2F)c(OC)c1 4383858 VTNYIVYPKDPRCE-IBGZPJMESA-N 409.421 3.362 0 40 HGAB Cc1c([C@H]2c3ccccc3C(=O)N2CC(=O)NC[C@H]2CCCO2)c2ccccc2n1C 4739554 XARLHGBDKXZUMZ-MZNJEOGPSA-N 417.509 3.327 0 40 HGAB O=C(Nc1ccc(N2CCOCC2)cc1)C1CCN(C(=O)c2ccc(F)cc2)CC1 6248748 GURRPUWPAWKYCS-UHFFFAOYSA-N 411.477 3.153 0 40 HGAB CCCCc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 6557997 DNBNZTYJSXWVPE-UHFFFAOYSA-N 418.515 3.060 0 40 HGAB COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CCCCCC3)cc2)cc1 6706896 LIVDYPKLEXHEBB-UHFFFAOYSA-N 418.515 3.277 0 40 HGAB Cc1ccc(CN(C(=O)c2ccccc2Br)[C@H]2CCS(=O)(=O)C2)o1 6810283 XHDINIRDYCVNMN-ZDUSSCGKSA-N 412.305 3.180 0 40 HGAB O=C([C@@H]1Cc2ccccc2CN1C(=O)c1ccco1)N1CCN(c2ccccc2)CC1 6831511 TZVLLHJVGHCLIA-QFIPXVFZSA-N 415.493 3.196 0 40 HGAB CCN(CC)C(=O)CSc1nc2cc(Cl)ccc2c(=O)n1C[C@H]1CCCO1 6881476 UERMTNUIRBCNIP-CQSZACIVSA-N 409.939 3.189 0 40 HGAB O=C([C@H]1CC(=O)N(C2CCCC2)C1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 7451454 JYPLYHZQJWMJPQ-HNNXBMFYSA-N 409.452 3.145 0 40 HGAB CCN(CC(=O)Nc1ccccc1OC)C(=O)[C@@H]1CC(=O)N([C@@H](C)c2ccccc2)C1 7735541 PMOOBPKOCZGAEU-PKOBYXMFSA-N 423.513 3.092 0 40 HGAB Cc1c(C(=O)N2CCN(S(=O)(=O)c3cccs3)CC2)sc2ccccc12 7959145 RECQHYBWGNRECL-UHFFFAOYSA-N 406.554 3.418 0 40 HGAB CN(C)[C@@H](CNC(=O)[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1)c1ccccc1 8343742 QCTZGXAMRXUDJU-LPHOPBHVSA-N 419.447 3.477 0 40 HGAB CC(=O)Nc1ccc(NC(=O)COC(=O)CCCC(=O)Nc2ccc(F)cc2)cc1 8417206 XSUKPFRCKDVXAQ-UHFFFAOYSA-N 415.421 3.075 0 40 HGAB COc1ccc(NC(C)=O)cc1NC(=O)CSc1nc(-c2cccs2)n[nH]1 8528280 WHGWBHHMEISTKJ-UHFFFAOYSA-N 403.489 3.231 0 40 HGAB COc1ccc2cc([C@@]3(C)NC(=O)N(Cc4cn5ccccc5n4)C3=O)ccc2c1 8710073 JQWRNYMCSHYOCJ-HSZRJFAPSA-N 400.438 3.463 0 40 HGAB Cn1nnnc1SCC(=O)Nc1ccc(C(=O)Nc2cccc3ccccc23)cc1 9663285 ROTONHVIPHWDGU-UHFFFAOYSA-N 418.482 3.346 0 40 HGAB O=C(Cn1nnc2ccccc2c1=O)NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12 10697650 MLWMEJRNRSFMCK-FQEVSTJZSA-N 423.476 3.221 0 40 HGAB COCCNC(=O)CSc1nnc(Cc2ccccc2)n1-c1ccc(Cl)cc1 11023499 PXCCKTNTMVCAMS-UHFFFAOYSA-N 416.934 3.366 0 40 HGAB CCCn1c(SCC(=O)N2C[C@H](C)O[C@@H](C)C2)nc2sc(CC)cc2c1=O 11065063 VOSLIQRBXASQSE-STQMWFEESA-N 409.577 3.158 0 40 HGAB C[C@@H]1CCCC[C@H]1NC(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 11776909 NLAIUKQSPTZQFY-TZMCWYRMSA-N 410.444 3.054 0 40 HGAB CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2cccc(N3CCCC3=O)c2)c1 11916451 XTVDVOKSVOHSHH-UHFFFAOYSA-N 415.515 3.096 0 40 HGAB Cc1ccc(/C=C/S(=O)(=O)N2CCN(c3ccc(-c4ccco4)nn3)CC2)cc1 12443551 PNHZAPBSORMNEM-MHWRWJLKSA-N 410.499 3.168 0 40 HGAB C[C@@H](Oc1ccc(Br)cc1)C(=O)Nc1ccc(N2CCN(C)CC2)nc1 12747004 YIZHHEMHOQAJDG-CQSZACIVSA-N 419.323 3.002 0 40 HGAB O=C(CCn1nnc(-c2cccc(F)c2)n1)Nc1ccc(Br)cc1F 12768876 CEZULFLBIWXXOQ-UHFFFAOYSA-N 408.206 3.410 0 40 HGAB Cc1nn(-c2ccccc2)c(C)c1CNC(=O)[C@@H]1CCCN(C(=O)c2ccco2)C1 12882548 SAPSHUFYMOVRJU-GOSISDBHSA-N 406.486 3.251 0 40 HGAB CCC[C@H](NC(=O)Cc1c(C)c2cc3c(cc2oc1=O)OC(C)(C)CC3)C(=O)O 12901676 RKAINKLEGYCBEY-INIZCTEOSA-N 401.459 3.117 0 40 HGAB biogenic Cc1nc(-c2ccc(CCNC(=O)Cn3c(C)nc4ccccc4c3=O)cc2)cs1 12981130 PFUIBJSTJBTKIS-UHFFFAOYSA-N 418.522 3.496 0 40 HGAB CCCCC(=O)N1CCC[C@H](c2nc(O)c3nnn(Cc4ccc(C)cc4)c3n2)C1 13083403 YEBCZVAZCYIFNI-KRWDZBQOSA-N 408.506 3.180 0 40 HGAB O=C(NCCc1c[nH]c2ccccc12)[C@@H]1CCCN(c2nc(Cl)nc3[nH]cnc23)C1 13570084 ZJAITGHWWSHAQW-CQSZACIVSA-N 423.908 3.063 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)NC12CC3CC(CC(C3)C1)C2 16022401 NOKTYSQMWVBKRC-UHFFFAOYSA-N 402.560 3.478 0 40 HGAB COc1ccc(C2(C(=O)NCCn3nc(-c4ccco4)ccc3=O)CCCC2)cc1 19553749 JFHWDLMQWHAWED-UHFFFAOYSA-N 407.470 3.140 0 40 HGAB Cc1cc(S(=O)(=O)N2CCCCC2)ccc1OCC(=O)Nc1cc(F)ccc1F 20022077 NFHMJSQMSYZHRO-UHFFFAOYSA-N 424.469 3.465 0 40 HGAB Cc1nc(-c2cc3ccc(OCC(=O)NCCCn4ccnc4)cc3oc2=O)cs1 20722106 GLVYVMQSLNQJPC-UHFFFAOYSA-N 424.482 3.007 0 40 HGAB COc1ccc(OCC(=O)NC[C@@H](c2cccn2C)N2CCc3ccccc3C2)cc1 21151947 LHXLIRQDSCOYBM-DEOSSOPVSA-N 419.525 3.328 0 40 HGAB CN(Cc1cccs1)C(=O)COC(=O)CCC(=O)c1ccc2c(c1)OCCCO2 21332563 SEHKYRLCCHNEOY-UHFFFAOYSA-N 417.483 3.074 0 40 HGAB C[C@H](OC(=O)c1cc(Cl)c2c(c1)OCCO2)C(=O)Nc1ccc2c(c1)OCO2 21498888 SKJBVXDRCSSUBS-JTQLQIEISA-N 405.790 3.024 0 40 HGAB O=C(OCc1cc(Cl)cc2c1OCOC2)c1cccc(S(=O)(=O)NC2CC2)c1 22847898 DDAZUFUFRTUELP-UHFFFAOYSA-N 423.874 3.004 0 40 HGAB O=C(CN1CCN(Cc2c(F)cccc2Cl)CC1)Nc1cccc2nsnc12 22923273 BRMVIKLUGVKGII-UHFFFAOYSA-N 419.913 3.240 0 40 HGAB O=C1c2ccc(C(=O)N(Cc3ccccc3F)C3CC3)cc2C(=O)N1C[C@@H]1CCCO1 23955296 IFPZDHRODGNOAL-SFHVURJKSA-N 422.456 3.406 0 40 HGAB CC(=O)N1CCc2cc(NS(=O)(=O)c3cccc(OC(F)(F)F)c3)ccc21 24372179 RKXCTJYZEOKXFH-UHFFFAOYSA-N 400.378 3.295 0 40 HGAB COc1ccc(Cl)cc1NC(=O)CN(C)Cc1nc2cc(Cl)ccc2c(=O)[nH]1 24527388 XHRSKHMBJNQQPF-UHFFFAOYSA-N 421.284 3.309 0 40 HGAB Cc1nn(-c2ccccc2)c(C)c1C(=O)OCCCN1C(=O)c2ccccc2C1=O 24730243 DJIKPNFFXHZNNO-UHFFFAOYSA-N 403.438 3.332 0 40 HGAB O=C(Oc1ccc(Br)cc1F)c1ccc2c(=O)n3c(nc2c1)CCC3 24766992 QRTRPHCLKYTZBD-UHFFFAOYSA-N 403.207 3.464 0 40 HGAB C[C@H]1CCN(C(=O)CN2C(=O)N[C@H](CCc3ccccc3)C2=O)c2ccccc2S1 24993596 RNJIOAJMQNGIBT-FUHWJXTLSA-N 423.538 3.457 0 40 HGAB COc1ccc(-c2nn3c(c2C)NC(=O)C[C@H]3C(=O)Nc2ccc3c(c2)OCO3)cc1 32092595 NDHXBHWFYPRRJK-INIZCTEOSA-N 420.425 3.118 0 40 HGAB Cc1cc(I)cnc1NC(=S)NC(=O)c1ccccc1F 32125435 DGQMACIRYWDLBL-UHFFFAOYSA-N 415.231 3.261 0 40 HGAB COc1ccc2[nH]c3c(c2c1)CN(C(=O)CCC(=O)Nc1ccccc1OC)CC3 36370122 BXSHCPNGUSLWCS-UHFFFAOYSA-N 407.470 3.489 0 40 HGAB biogenic C[C@@H](NC(=O)CN1C[C@H](C(=O)N2CCCCC2)Oc2ccccc21)c1cccs1 36386116 PLGYUYOEOSKLCC-VQIMIIECSA-N 413.543 3.205 0 40 HGAB COc1cc(NC(=O)CC[C@@H]2N=C(O)N([C@H](C)c3ccccc3)C2=O)cc(OC)c1 36596821 FQESKGVYLMGXBS-KUHUBIRLSA-N 411.458 3.309 0 40 HGAB Cc1ccc(Cl)cc1S(=O)(=O)NCCCN1CCO[C@H](c2ccccc2)C1 36700321 FYQVBNMEVAJXEG-IBGZPJMESA-N 408.951 3.390 0 40 HGAB CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)CCC(=O)c1ccc(C)s1 39973513 LJRSGOWFPGVDDL-UHFFFAOYSA-N 416.499 3.278 0 40 HGAB CC(C)c1ccc(CNC(=O)CCn2nc(-c3ccc4c(c3)OCO4)ccc2=O)cc1 41253836 IHUMTVPBFHEMCX-UHFFFAOYSA-N 419.481 3.469 0 40 HGAB O=C(NCC1CCN(C(=O)COc2ccccc2)CC1)c1nc2ccccc2s1 43981162 DLAFGRHNONABRZ-UHFFFAOYSA-N 409.511 3.344 0 40 HGAB Cc1nccn1-c1ccccc1CNC(=O)c1ccc(NS(C)(=O)=O)cc1Cl 44886602 RMQUCBROEKKLPR-UHFFFAOYSA-N 418.906 3.136 0 40 HGAB COc1ccc(C(=O)NC[C@@H](c2ccc(F)cc2)N2CCOCC2)cc1OC(F)F 48325809 ZKUBLCXZNLDWHR-KRWDZBQOSA-N 424.419 3.239 0 40 HGAB COCCNC(=O)[C@@H]1Cc2cn(Cc3ccccn3)c3cccc(c23)[C@H](CC(C)C)N1 49171677 XTIFRUNZLGKOGF-VXKWHMMOSA-N 420.557 3.449 0 40 HGAB biogenic,in-vitro Cc1cc(C(=O)NC2CCN(S(=O)(=O)c3c(C)c(C)c(C)c(C)c3C)CC2)no1 58356854 CDNLQNJBZIZHCN-UHFFFAOYSA-N 419.547 3.108 0 40 HGAB COc1cc2c(cc1CNC(=O)Cn1c(C)c(C=O)c3ccccc31)OCCCO2 64987001 HNBPOVGLVAMNFK-UHFFFAOYSA-N 408.454 3.249 0 40 HGAB C[C@H]1CN(C(=O)CN2C(=O)COc3ccc(Cl)cc32)C[C@H](c2ccccc2)O1 65514521 MYLUISHLWSRZMW-IFXJQAMLSA-N 400.862 3.054 0 40 HGAB CC[C@H](C)N1C(=O)c2ccccc2[C@H](C(=O)N2CCC(C(N)=O)CC2)C12CCCC2 71279356 LLXXEBZGIOCXHX-OXJNMPFZSA-N 411.546 3.061 0 40 HGAB COCCn1nc([C@H]2CCCN(C(=O)Nc3ccccc3Cl)C2)n(C2CC2)c1=O 77151284 SCMHCDYEHIXUTF-AWEZNQCLSA-N 419.913 3.091 0 40 HGAB CCn1cnnc1C1CCN(CC(=O)N[C@H](C)c2ccc(Br)cc2)CC1 83843652 VTALGHHRBMRFAH-CQSZACIVSA-N 420.355 3.117 0 40 HGAB Cc1oc(C)c(C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)c1Br 89505512 AOQXOZUOTHLRFC-UHFFFAOYSA-N 405.170 3.445 0 40 HGAB Cc1noc(-c2ccc(N3CC[C@@H](NC(=O)c4ccc(F)c(Cl)c4)C3)nc2)n1 90591959 XWUTYOIOWMTNAT-CQSZACIVSA-N 401.829 3.241 0 40 HGAB O=C(CN1CCN(c2nc3ccccc3[nH]2)CC1)Nc1ccccc1C(F)(F)F 95348943 ILWXPEAXTMQDFO-UHFFFAOYSA-N 403.408 3.342 0 40 HGAB COC(=O)C[C@H](c1cc(OC)c2c(c1)OCO2)c1c(O)n[nH]c1Cc1ccccc1 96114787 KYZKJTKGVMTQOB-OAHLLOKOSA-N 410.426 3.138 0 40 HGAB biogenic CN1CC(=O)N(c2ccccc2)C[C@]12CCN(C(=O)c1cccc(C(F)(F)F)c1)C2 96237787 CMNYNJYDTOZYSS-OAQYLSRUSA-N 417.431 3.269 0 40 HGAB Cc1ccc(NC(=O)c2ccc3nnc4nc(C)n(C[C@@H]5CCCO5)c4c3c2)cn1 96264331 ZNOCIUHTPWOIIV-KRWDZBQOSA-N 402.458 3.423 0 40 HGAB Cc1ccc(S(=O)(=O)Oc2ccccc2N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1 100566982 MSLRWRSKBBTZPK-HZVDNRATSA-N 411.479 3.298 0 40 HGAB COc1ccc(C(=O)/C=c2/[nH]c(=O)/c(=C/c3c(Cl)cccc3Cl)s2)cc1 102971186 DJANUODUQCEVIE-XFQWXJFMSA-N 406.290 3.244 0 40 HGAB Cc1ccc(C(=O)Nc2ccccc2C(=O)NCC(C)C)cc1N(C)S(C)(=O)=O 222453328 LDFYAKUCSSVMMJ-UHFFFAOYSA-N 417.531 3.029 0 40 HGAB CCc1cccc(C)c1NC(=O)COc1ccc(S(=O)(=O)NC2CC2)cc1C 223052520 FPMLKZKEHFDSTF-UHFFFAOYSA-N 402.516 3.324 0 40 HGAB CC(C)C(=O)N(Cc1ccc(Cl)cc1)[C@H](Cc1ccccc1)C(=O)NCCO 223130953 LMBBKSVUHUYFLS-HXUWFJFHSA-N 402.922 3.044 0 40 HGAB Cc1ccc(C(=O)NCc2cccc(CN3CCCCC3)c2)cc1NS(C)(=O)=O 224668433 REKDDQPZWGNCNN-UHFFFAOYSA-N 415.559 3.282 0 40 HGAB Cc1ccc(C)c(N(CC(=O)NCc2cccc(C(F)(F)F)c2)S(C)(=O)=O)c1 225058476 JETQNJMRGSNDIK-UHFFFAOYSA-N 414.449 3.405 0 40 HGAB Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccccc3C(=O)N3CCOCC3)cc2)n1 225288296 JVHUIHNZANONMS-UHFFFAOYSA-N 418.497 3.273 0 40 HGAB CNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)COc1ccccc1F 225469074 TZZKQDLASOTTII-ZDUSSCGKSA-N 423.282 3.130 0 40 HGAB COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NCCCOC(C)C)cc1 225704213 SBZXTZWEUZHFRF-RGEXLXHISA-N 402.516 3.459 0 40 HGAB O=C1[C@@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C(=O)N1CN(C(=O)C(F)(F)F)c1cccc(Cl)c1 226400882 PKABERWKDXAODB-YTQIUSBHSA-N 424.806 3.246 0 40 HGAB Cc1ccc(N(CN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@H]3C2=O)C(=O)C(F)(F)F)c(C)c1 226408816 LVXFLKUWBMVGIP-UGMMYLGUSA-N 418.415 3.209 0 40 HGAB CC(C)NC(=S)Nc1nc(Sc2ncccn2)cc(N2CCC[C@H](C)C2)n1 260739944 QTZBPAFETGFYRK-ZDUSSCGKSA-N 403.581 3.349 0 40 HGAB CN1CCN(C(=O)c2ccncc2)C[C@H]1c1nnn2cc(-c3cccc(F)c3)ccc12 306124336 BMXGMJDUPOWSCJ-NRFANRHFSA-N 416.460 3.059 0 40 HGAB Cc1cc(C)cc(NC(=O)CSc2nnc(CNC(=O)c3ccccc3)n2C)c1 409164910 PNCOMOGZUIFMLD-UHFFFAOYSA-N 409.515 3.093 0 40 HGAB COc1ccc(CN2CCOC[C@@]3(CC(=O)N(c4ccc(F)cc4)C3)C2)c(F)c1 585104743 SPSHQMIWYMDZDE-QFIPXVFZSA-N 402.441 3.229 0 40 HGAB COC(=O)Nc1ccc(S(=O)(=O)NC[C@H](O)c2ccc(-c3ccco3)cc2)cc1 585148021 MEKQUCCVWQDIST-SFHVURJKSA-N 416.455 3.137 0 40 HGAB CN(C1=NS(=O)(=O)c2ccccc21)C1CCN(Cc2ccc(F)c(F)c2)CC1 1888922094 OPYDWOYFQMEKNK-UHFFFAOYSA-N 405.470 3.010 0 40 HGAB O=C(CSc1nnc(-c2cccnc2)n1Cc1ccco1)Nc1cccc(O)c1 896597 DYYSCUHIGKSXCV-UHFFFAOYSA-N 407.455 3.418 0 40 HGAB CCOc1ccc([C@@H]2C(C(=O)OCCOC)=C(C)N=C3S[C@@H](CC)C(=O)N32)cc1 2487368 UJTKJIPUZHKVAK-FUHWJXTLSA-N 418.515 3.314 0 40 HGAB O=C(Nn1c(S)nc2ccccc2c1=O)c1cccc(OC(F)(F)C(F)F)c1 2730680 AALNBVSBAMICGF-UHFFFAOYSA-N 413.352 3.306 0 40 HGAB CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)NC[C@H](c1ccccc1)N(C)C 3290525 JTVNYAMWDNPQQZ-QUCCMNQESA-N 403.473 3.138 0 40 HGAB Cc1ccc(-n2c(SCC(=O)NC(=O)NC(C)C)nnc2-c2cccnc2)c(C)c1 3430058 BPNFKJJVPHIODY-UHFFFAOYSA-N 424.530 3.272 0 40 HGAB O=C(CSc1nc(-c2ccccc2)cs1)N1CCN(C(=O)c2ccco2)CC1 3454020 UZNOOTQQVFKTDP-UHFFFAOYSA-N 413.524 3.480 0 40 HGAB COc1cc(Cl)c(C)cc1-n1c(S[C@H](C)C(N)=O)nc2ccccc2c1=O 3489962 UWFYYMUAWIZGBE-LLVKDONJSA-N 403.891 3.322 0 40 HGAB COC(=O)c1cccc(Cn2cnc3sc(C(=O)OC(C)C)c(C)c3c2=O)c1 4071601 TWVWMTKNFZHJJV-UHFFFAOYSA-N 400.456 3.167 0 40 HGAB COc1ccc(CCNC(=O)Cc2c(C)c3ccc(OC)c(OC)c3oc2=O)cc1 4089655 RFGSSMNTOYIKDA-UHFFFAOYSA-N 411.454 3.029 0 40 HGAB biogenic Cc1ccc(NC(=O)CN2C(=O)N[C@]3(CCCC[C@H]3C)C2=O)c(Br)c1 4515824 NNKAXVBVTIEUMU-XIKOKIGWSA-N 408.296 3.197 0 40 HGAB CCOC(=O)c1nn(-c2ccc(C)cc2)c(=O)cc1OCC(=O)Nc1ccc(C)cc1 4853586 LJRNTCCTTWIGQW-UHFFFAOYSA-N 421.453 3.044 0 40 HGAB COCCNC(=O)[C@@H](c1ccc(C)cc1)N(C(=O)c1csnn1)C1CCCCC1 4910840 JRWVEBYNZBUHHN-LJQANCHMSA-N 416.547 3.125 0 40 HGAB CCOC(=O)c1[nH]c(C)c(C(=O)OCC(=O)N(C)Cc2ccc(C)cc2C)c1C 5313429 LSDYQAONOHAJJS-UHFFFAOYSA-N 400.475 3.240 0 40 HGAB C[C@@H](CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)c1ccccc1 5612074 FDVYKXNGJPFVDT-INIZCTEOSA-N 406.935 3.367 0 40 HGAB COc1ccc(NC(=O)c2cc(F)cc(F)c2)cc1S(=O)(=O)N1CCCCC1 6052264 DRYROURYXPMRDY-UHFFFAOYSA-N 410.442 3.400 0 40 HGAB Cn1c(SCC(=O)N2CCC(Cc3ccccc3)CC2)nnc1-c1ccncc1 6139417 JSRYIEFAIVMOFE-UHFFFAOYSA-N 407.543 3.451 0 40 HGAB Cc1ccc2c(=O)cc(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)oc2c1C 6811354 JTFLVSPFPDGCRJ-UHFFFAOYSA-N 403.438 3.460 0 40 HGAB CCOC(=O)c1sc(NC(=O)[C@H](NC(=O)c2ccc(F)cc2)C(C)C)nc1C 7813970 BHLDRHJAUCVNIO-CQSZACIVSA-N 407.467 3.160 0 40 HGAB C[C@H]1CCCC[C@@H]1NC(=O)CN(C)CC(=O)Nc1ccc(OC(F)(F)F)cc1 8238457 PCHIXJBXDZUETJ-BBRMVZONSA-N 401.429 3.150 0 40 HGAB CCN1CCC[C@@H]1CNC(=O)COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1 8879708 QPFQUDVKEBEAJM-QGZVFWFLSA-N 422.481 3.145 0 40 HGAB biogenic CC[C@H](C(=O)NCCn1ncc2c(N3CCCC3)nc(SC)nc21)c1ccccc1 8946811 OBDUNTLLVLIZTJ-KRWDZBQOSA-N 424.574 3.458 0 40 HGAB COc1ccc(CNC(=O)NC[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1OC 9040308 HARHWCISTBDNCK-OAHLLOKOSA-N 417.893 3.210 0 40 HGAB COc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCC(C)(C)C(=O)N3C)cc1C 9165589 UPDBJVPWQZPGSI-UHFFFAOYSA-N 404.488 3.186 0 40 HGAB O=S(=O)(Nc1nccs1)c1ccc(NC(=S)NCCc2ccccc2)cc1 9373605 DQAJNARSWRNARY-UHFFFAOYSA-N 418.569 3.473 0 40 HGAB CN(C)c1ncc(-c2ccccn2)c(CN(Cc2ccccc2)C(=O)[C@H]2CCCO2)n1 12089212 RYQCUTGJUCIQPH-JOCHJYFZSA-N 417.513 3.312 0 40 HGAB Cc1cccnc1[C@H](Cc1ccsc1)NC(=O)Cc1ccc(S(C)(=O)=O)cc1 12229449 NJGPAHYGRYQPJE-IBGZPJMESA-N 414.552 3.498 0 40 HGAB COc1ccc([C@H]2CN(C)C[C@@H]2CNc2nc(C)c(C(C)C)c(O)n2)cc1OC 12235247 BJZBPLFWPFWMEY-DLBZAZTESA-N 400.523 3.389 0 40 HGAB O=C(CCCNC(=O)N1CCc2c([nH]c3ccccc23)C1)Nc1ccc2c(c1)OCO2 12296339 SQEMIRAKMBPSPI-UHFFFAOYSA-N 420.469 3.383 0 40 HGAB biogenic COc1cc([C@H]2Nc3ccccc3C(=O)N2c2ccc(F)cc2)ccc1OCC(N)=O 12561834 QOAOXNZPGWLNSU-QFIPXVFZSA-N 421.428 3.470 0 40 HGAB COC(=O)CNC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccccc1 12754654 REVYMKZAWZBTCN-UHFFFAOYSA-N 400.438 3.049 0 40 HGAB COc1ccc(NC(=O)C2(c3cccc(F)c3)CCC2)cc1S(=O)(=O)N(C)C 12764399 PPWMYTOGPZVULR-UHFFFAOYSA-N 406.479 3.145 0 40 HGAB COC(=O)c1sccc1S(=O)(=O)N1CCC[C@H]1c1ccc(OC)c(OC)c1 12825559 ISJIBHFSAUPKDD-ZDUSSCGKSA-N 411.501 3.078 0 40 HGAB O=C(Nc1ccc(Br)cc1)c1ccc(=O)n(CCOc2ccccc2)n1 12928971 ALDJSMRUXZAKJR-UHFFFAOYSA-N 414.259 3.337 0 40 HGAB COc1ccc2cc([C@H](C)C(=O)NCc3ccc(N4CCOCC4)nc3)ccc2c1 13004873 RIPGDCAXQRMPBK-KRWDZBQOSA-N 405.498 3.500 0 40 HGAB CN(C)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1cc(F)c(F)cc1Cl 13020756 GDGVQJDAHYCTKI-UHFFFAOYSA-N 414.861 3.462 0 40 HGAB CC[C@@H](C(=O)NCCSCc1ccco1)N(c1ccc(C)c(C)c1)S(C)(=O)=O 13716454 OWNFYYKYFCKNMH-IBGZPJMESA-N 424.588 3.491 0 40 HGAB COC(=O)[C@](NC(=O)c1ccc(Cl)cc1)(Nc1cccc(C)n1)C(F)(F)F 13786000 MQYMDCHFUWBKBU-MRXNPFEDSA-N 401.772 3.317 0 40 HGAB O=c1ccc(-c2ccc(F)cc2)nn1CCCNS(=O)(=O)/C=C/c1ccccc1 13799598 HSFQGNKBWFESOC-DTQAZKPQSA-N 413.474 3.030 0 40 HGAB O=C(c1cc2cc(F)ccc2s1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 14253604 VTGPIHSLLYGQCG-UHFFFAOYSA-N 422.478 3.326 0 40 HGAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1ccc(OCC(F)(F)F)nc1 14526478 ZGABDGXEBFOKPX-ZDUSSCGKSA-N 405.380 3.437 0 40 HGAB CCCC(=O)NC(=S)Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)cc1 17088601 GIJKPEICSLQMAV-UHFFFAOYSA-N 410.543 3.262 0 40 HGAB O=C(Cn1c(CO)cnc1SCc1cccc(F)c1)NCc1ccc(F)cc1 17155083 GEUSAVDNNDXHGG-UHFFFAOYSA-N 403.454 3.262 0 40 HGAB Cc1ccc(C2(CNS(=O)(=O)c3c(C)nn(C(F)F)c3C)CCOCC2)cc1 19208759 TXUYQZVXWJOMMA-UHFFFAOYSA-N 413.490 3.230 0 40 HGAB FC(F)(F)c1cccc(N2CCN(/C=C/c3nnnn3-c3ccccc3)CC2)c1 19682971 LPYIXKQEUAAUIK-MDZDMXLPSA-N 400.408 3.474 0 40 HGAB Cn1c(C(F)(F)F)nc2cc(NC(=O)c3nc4ccccc4n(C)c3=O)ccc21 19715019 GEGXFEXPEHFVOD-UHFFFAOYSA-N 401.348 3.091 0 40 HGAB COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(F)c(F)c2F)cc1Cl 20013986 AYUAKYAVULWUJF-UHFFFAOYSA-N 422.812 3.025 0 40 HGAB O=C(C[C@H]1C(=O)Nc2nc(-c3ccccc3)nn21)Nc1ccccc1C(F)(F)F 20735942 HRZTWFZJDUQRCW-AWEZNQCLSA-N 401.348 3.486 0 40 HGAB CC(C)n1cnc2nc(COc3ccc(NC(=O)c4cccc(F)c4)cc3)cc(=O)n21 21797037 NGYBONLTEWEKNS-UHFFFAOYSA-N 421.432 3.442 0 40 HGAB Cc1cc(C)cc(N(CC(=O)NCc2cccc(OC(C)C)c2)S(C)(=O)=O)c1 22329086 LIENMHNOFJTZBU-UHFFFAOYSA-N 404.532 3.173 0 40 HGAB Cc1csc2nc(CN3CCN(Cc4cccc(C(F)(F)F)c4)CC3)cc(=O)n12 22800080 QEDNREZQZIOGRF-UHFFFAOYSA-N 422.476 3.401 0 40 HGAB CCc1ccc(Cn2nccc2NC(=O)[C@H]2CC(=O)N(c3ccc(OC)cc3)C2)cc1 23056161 PYMVLUYHDXJHPJ-IBGZPJMESA-N 418.497 3.494 0 40 HGAB COC(=O)[C@@H]1Cc2ccccc2CN1CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O 25285827 LAAWAQVAQXZKLI-KRWDZBQOSA-N 419.264 3.147 0 40 HGAB Cc1cccc(OCCC(=O)N2CCN(CC(=O)Nc3ccccc3Cl)CC2)c1 35287185 NSNWSQQSUWYYBU-UHFFFAOYSA-N 415.921 3.200 0 40 HGAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)N[C@@H](C)CCc2ccccc2)cc1 39986148 OIQXWLQJCDCSIU-SFHVURJKSA-N 418.559 3.233 0 40 HGAB Cc1cc(C(=O)N[C@@H]2CCCc3c2cnn3Cc2ccccc2)ccc1-n1cnnn1 40081853 KFAWDGIMGBFZSS-HXUWFJFHSA-N 413.485 3.023 0 40 HGAB O=C(Cn1c(=O)n(C2=CCCCC2)c2ccccc21)Nc1ccc2[nH]c(=O)[nH]c2c1 40128732 ZCJXCMXMHDXBIG-UHFFFAOYSA-N 403.442 3.026 0 40 HGAB COc1cccc(COCC(=O)Nc2cc3c(cc2Br)OCCO3)c1 40129920 DNYALXCJAMUECE-UHFFFAOYSA-N 408.248 3.384 0 40 HGAB O=C(CCCOc1ccccc1)N1CCN(C(=O)COc2ccc(Cl)cc2)CC1 40155991 APFTXWNGEAKHFK-UHFFFAOYSA-N 416.905 3.249 0 40 HGAB COc1ccc(OC)c([C@@H]2c3[nH]cnc3CCN2C(=O)Nc2ccc(C(=O)O)cc2)c1 40310111 UCDLBQQWYIIOBV-HXUWFJFHSA-N 422.441 3.305 0 40 HGAB biogenic COc1cc(C)c(S(=O)(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)cc1C 55576502 NKQLEMWGSUKGEY-MRXNPFEDSA-N 418.515 3.022 0 40 HGAB CCOC(=O)C[C@H](NS(=O)(=O)c1cccc2cnccc12)c1cccc(OC)c1 56113149 ZKHQPJKDOBAIAH-IBGZPJMESA-N 414.483 3.216 0 40 HGAB CC(=O)N1CCCc2cc(C(=O)CN3CCC(O)(c4ccc(F)cc4)CC3)ccc21 57822672 LPOVVYOCGWFKBK-UHFFFAOYSA-N 410.489 3.291 0 40 HGAB Cc1sc2ncn(CCC(=O)N3C[C@H](c4ccccc4)O[C@H](C)C3)c(=O)c2c1C 58429061 ATNOICPPEDLUII-RDTXWAMCSA-N 411.527 3.454 0 40 HGAB O=C1CCC(=O)N(c2ccc(C(=O)OCc3csc(Br)c3)cc2)N1 64224514 VUATZPWLCFRNQM-UHFFFAOYSA-N 409.261 3.026 0 40 HGAB Cc1cccc(-n2c(O)nc3nc(NCc4cc(F)cc(F)c4)ncc3c2=O)c1C 67263625 VUVRODXBOQWPFT-UHFFFAOYSA-N 409.396 3.388 0 40 HGAB CC(C)[C@@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1Br)C(=O)N(C)C 78413848 QQRVUKUXQDXDAS-IINYFYTJSA-N 405.720 3.099 0 40 HGAB Cc1ccc(N2CCCN(c3cc(C(F)(F)F)nc(-c4ccccn4)n3)CC2)nn1 89652356 XNLCAJXAAGEMIT-UHFFFAOYSA-N 415.423 3.373 0 40 HGAB COc1cccc2sc(OC3CN(S(=O)(=O)Cc4ccc(F)cc4)C3)nc12 90594425 XHEAUJXDCFQXBH-UHFFFAOYSA-N 408.476 3.037 0 40 HGAB O=C([C@H]1Cc2ccccc2CN1Cc1ccc(O)cc1)N(CCO)Cc1ccccc1 199424698 UMPKCSBBNYDHIG-RUZDIDTESA-N 416.521 3.340 0 40 HGAB CC[C@H](NC(=O)[C@H]1CN(S(=O)(=O)CC)c2ccccc2O1)c1ccc(C)c(C)c1 218794606 HFMDPWRUHLMTDK-GHTZIAJQSA-N 416.543 3.488 0 40 HGAB COCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)C(C)C 223201568 RKUXHURCLTVJKA-NRFANRHFSA-N 400.494 3.184 0 40 HGAB CC[C@@H](C(=O)NCCOc1cc(C)cc(C)c1)N(c1ccc(F)cc1)S(C)(=O)=O 224087078 LKLHEEJRZGBQSP-FQEVSTJZSA-N 422.522 3.182 0 40 HGAB Cc1ccccc1N(CCCC(=O)NCCOc1ccccc1Cl)S(C)(=O)=O 224310830 NYRMJDKWYNVOBX-UHFFFAOYSA-N 424.950 3.390 0 40 HGAB COc1ccc(C(=O)NC2CCCC2)cc1CN(C)S(=O)(=O)c1ccc(C)cc1 224776823 HEYVZAJYJWMGPO-UHFFFAOYSA-N 416.543 3.497 0 40 HGAB Cc1ccccc1CNS(=O)(=O)c1nnc(NC(=O)c2ccccc2Cl)s1 225119194 LXOIMPUSBYZCEW-UHFFFAOYSA-N 422.919 3.231 0 40 HGAB CC(C)(C)CNC(=O)COc1ccc(S(=O)(=O)N2CCCCC2)cc1Cl 226082686 LKEMSOULMRXNGM-UHFFFAOYSA-N 402.944 3.056 0 40 HGAB Cn1ccc(NC(=O)C(C)(C)Oc2nn(-c3ccccc3)cc2Br)n1 227159827 IZXBUXOEOSQDGP-UHFFFAOYSA-N 404.268 3.164 0 40 HGAB CCOC(=O)[C@]1(C[C@@H]2CC(c3ccc(F)cc3)=NO2)CCCN(C[C@H]2CCOC2)C1 248341471 ZFGKKZFWXMIMPI-MONBJTKQSA-N 418.509 3.391 0 40 HGAB Cc1nc([C@@H]2CCN(C(=O)C3CCC3)C2)nc(C)c1CC(=O)NCc1ccc(F)cc1 257204322 ATYXDFQKEADPHA-LJQANCHMSA-N 424.520 3.207 0 40 HGAB NC(=O)CC1(COc2ccc(F)cc2)CCN(C(=O)c2c(F)cccc2F)CC1 257268674 MMSBEVYGCZWEBF-UHFFFAOYSA-N 406.404 3.281 0 40 HGAB CC(C)CN1CCC2(CCCN(Cc3nccs3)[C@H]2CNC(=O)C2CC2)CC1 306127631 GDXJSFRYOADKRI-IBGZPJMESA-N 404.624 3.372 0 40 HGAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC2CCCCCCC2)cc1Cl 408584474 QFKAGKOXRYBWSO-ZDUSSCGKSA-N 402.944 3.245 0 40 HGAB CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCC(C)CC3)C2=O)ccc1O 409342602 GRKVZIMUJFIPKK-GZTJUZNOSA-N 404.488 3.086 0 40 HGAB CC(C)(C)c1ccc2nnc(C3CCN(C(=O)c4c[nH]c5ncccc45)CC3)n2n1 585581125 MLALJONIWWWAEK-UHFFFAOYSA-N 403.490 3.318 0 40 HGAB Cc1cc(C)nc(N2CCC(Cn3nc(-c4sc(C)nc4C)ccc3=O)CC2)n1 1888897662 SVYSBQMVKBGYDR-UHFFFAOYSA-N 410.547 3.307 0 40 HGAB CC(C)c1ncnc(N2CCN(c3ccc(NC(=O)C(C)(C)C)nc3)CC2)c1F 2298052397 DLHJXSKMOFFDSU-UHFFFAOYSA-N 400.502 3.445 0 40 HGAB COc1ccc(NC(=O)C2=C(C)NC(=S)N[C@H]2c2ccc(OC)cc2OC)cc1 862588 JIJGMWLPPQKPMD-IBGZPJMESA-N 413.499 3.144 0 40 HGAB COc1ccc(CN2C(=O)[C@](O)(CC(=O)c3ccncc3)c3ccccc32)cc1OC 2218470 MJOBMLDVIHWSGN-DEOSSOPVSA-N 418.449 3.106 0 40 HGAB COc1ccc(NC(=O)CSc2nnc(-c3cnccn3)n2Cc2ccco2)cc1 2386710 ONCZDMCEWZTFBN-UHFFFAOYSA-N 422.470 3.116 0 40 HGAB COc1ccc(CCNC(=O)C(=O)c2c[nH]c3ccc(Br)cc23)cc1 2570390 HYLGBUMAKNXFKG-UHFFFAOYSA-N 401.260 3.481 0 40 HGAB CN1[C@H]2CC[C@@H]1CC(NC(=O)c1ccc(Cn3cc(Br)cn3)cc1)C2 2793726 HCFISLPMHJLTBY-AYHJJNSGSA-N 403.324 3.049 0 40 HGAB COc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2ccc(C)cc2)n1N 3278683 XZHIGVBLMBWTAT-UHFFFAOYSA-N 403.895 3.360 0 40 HGAB CC(C)CCNC(=O)NC(=O)COc1ccc(Br)cc1Br 3515701 MKAXSUFRYDDPQM-UHFFFAOYSA-N 422.117 3.462 0 40 HGAB CCOC(=O)c1cc(CC)sc1NC(=O)CSc1nnnn1-c1ccccc1 3530700 CNDTWKQOBCVPAB-UHFFFAOYSA-N 417.516 3.194 0 40 HGAB COc1cc(OC)cc(C(=O)OCC(=O)c2cc(C)n(C[C@H]3CCCO3)c2C)c1 3542583 CGIUPBGBWWAVLV-QGZVFWFLSA-N 401.459 3.341 0 40 HGAB C[C@H](Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1)C(=O)N1CCC[C@@H]1C(=O)O 4026865 CMBDKCKWKSHDKO-IFXJQAMLSA-N 407.422 3.303 0 40 HGAB biogenic CCOC(=O)N1CCc2c(sc(NC(=O)c3cccc(Cl)c3)c2C(N)=O)C1 4274511 FCUCEHLCCUBULF-UHFFFAOYSA-N 407.879 3.267 0 40 HGAB Cc1cc(Cl)ccc1NC(=O)COC(=O)c1ccc(N2C(=O)CCC2=O)cc1 4351403 WDILKVDRSLONMA-UHFFFAOYSA-N 400.818 3.097 0 40 HGAB COc1ccc(N2C[C@@H](C(=O)Nc3nnc(Cc4ccccc4)s3)CC2=O)cc1 4815861 UQUIKVBWXCCSAU-HNNXBMFYSA-N 408.483 3.129 0 40 HGAB CNC(=O)NC(=O)[C@@H](C)Sc1nc2cc(Cl)ccc2c(=O)n1C1CCCCC1 4985708 DMOKODKWSPSDOT-LLVKDONJSA-N 422.938 3.491 0 40 HGAB CCOC(=O)Cc1cs/c(=N\c2c(C)cccc2C)n1CCCN1CCOCC1 5299011 STQJDFLVIBHZFU-FCQUAONHSA-N 417.575 3.227 0 40 HGAB Cc1nn(C)c(C)c1NC(=O)COC(=O)c1ccccc1NC(=O)c1ccccc1 5506013 JDWCTBAOPHHBRC-UHFFFAOYSA-N 406.442 3.085 0 40 HGAB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3nc4ccccc4[nH]3)cc2)C1 6153680 CHOCVVHZIWSERO-HUUCEWRRSA-N 412.515 3.482 0 40 HGAB CN(C)c1cccc(C(=O)NCCN2C(=O)S/C(=C/c3ccc(F)cc3)C2=O)c1 6180788 VEDSEDBSXZSGMR-LDADJPATSA-N 413.474 3.358 0 40 HGAB Cc1c(O[C@@H](C)C(=O)NCCCn2ccnc2)ccc2c3c(c(=O)oc12)CCCC3 6659750 KXNRZZWQUAATAL-INIZCTEOSA-N 409.486 3.151 0 40 HGAB CCSc1nnc(NC(=O)[C@H](CC(C)C)N2C(=O)c3ccccc3C2=O)s1 6833673 SAKMQFAFWDISQQ-ZDUSSCGKSA-N 404.517 3.300 0 40 HGAB Cc1ccc(S(=O)(=O)NCCC(=O)Nc2ccc(Br)cc2C)cc1 8285951 GCKTYJJFCYLLIE-UHFFFAOYSA-N 411.321 3.373 0 40 HGAB CCOc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3[C@@H](C=C(C)C)C3(C)C)CC2)cc1 8993953 UQEHBFXHMLSYEX-UXHICEINSA-N 420.575 3.157 0 40 HGAB O=C(O[C@H]1CCCCC1=O)c1ccc(Cl)c(S(=O)(=O)NCc2ccccc2)c1 9491566 PIOTXHVFMREGAJ-SFHVURJKSA-N 421.902 3.487 0 40 HGAB C[C@H](OC(=O)c1ccc(Cl)c(S(C)(=O)=O)c1)C(=O)N1c2ccccc2C[C@H]1C 10241543 KGENJAKNQDHRCF-OLZOCXBDSA-N 421.902 3.267 0 40 HGAB Cc1ccc(-n2ncc3c(=O)n(NC(=O)c4ccc(OC(C)C)cc4)cnc32)cc1C 10251993 GPBPBWWKVWXSTJ-UHFFFAOYSA-N 417.469 3.370 0 40 HGAB CCOC(=O)C1CCN(C(=O)CSc2nccn2-c2cccc(C)c2C)CC1 10347879 NTTAREFDSOBQMI-UHFFFAOYSA-N 401.532 3.383 0 40 HGAB CCCOc1ccc(OCCOC(=O)c2ccccc2N(C)S(C)(=O)=O)cc1 11604142 XXYILXXEPYYHAR-UHFFFAOYSA-N 407.488 3.107 0 40 HGAB CCS(=O)(=O)c1ccc(C(=O)Nc2nnc(Cc3ccc(Cl)s3)o2)cc1 11694688 XHBPYPBVDUXLBG-UHFFFAOYSA-N 411.892 3.421 0 40 HGAB CC(C)[C@@H](NC(=O)c1ccco1)C(=O)Nc1nc2cc3c(cc2s1)OCCO3 11751639 COLYGMWTBICZHA-MRXNPFEDSA-N 401.444 3.054 0 40 HGAB Cc1cc([C@@H]2CCCCCN2S(=O)(=O)c2ccc(N3CCCC3=O)cc2)on1 12159370 PKMUJJFYYZGTKQ-SFHVURJKSA-N 403.504 3.416 0 40 HGAB O=C(c1cccs1)N1CCC[C@H]1Cn1nc(-c2ccc3c(c2)OCO3)ccc1=O 12182238 NKGJSRZRGMJNMF-HNNXBMFYSA-N 409.467 3.005 0 40 HGAB CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)C12CC3CC(CC(C3)C1)C2 12521647 LIPJGVAURPXHBQ-UHFFFAOYSA-N 411.546 3.137 0 40 HGAB Cc1ccccc1C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)Nc1ccc(F)c(F)c1 12804580 LAUTUMXFCSNPGD-IBGZPJMESA-N 417.456 3.173 0 40 HGAB CCOc1ccc(NC(=O)CN(C)C(=O)c2cccnc2SC)cc1OCC 12815932 KOUFJJRQZFHEIB-UHFFFAOYSA-N 403.504 3.312 0 40 HGAB CC[C@H](C(=O)NCCSc1ccc(C)cc1)N(c1ccccc1)S(C)(=O)=O 13711154 REJZSEUTQIYSSP-LJQANCHMSA-N 406.573 3.448 0 40 HGAB O=C(Nc1ccc(F)cc1)[C@@H](c1ccccc1)N1CCN(C(=O)c2ccncc2)CC1 14164421 CRPPWQOUYOHIIP-JOCHJYFZSA-N 418.472 3.359 0 40 HGAB COc1cc(C(=O)NCC(=O)N[C@@H](C)c2cc3ccccc3o2)cc(OC)c1OC 14182164 HDIOPHCAZJWCDG-ZDUSSCGKSA-N 412.442 3.066 0 40 HGAB COC(=O)c1c(NC(=O)CSc2nc(C)cc(=O)[nH]2)sc2c1CCCCCC2 15022368 CICTYRJQAYSBLK-UHFFFAOYSA-N 421.544 3.316 0 40 HGAB COC(=O)c1ccc(NC(=O)c2nn(-c3ccccc3Cl)c(C)cc2=O)s1 15194759 XTOWVWAQJOLSFM-UHFFFAOYSA-N 403.847 3.295 0 40 HGAB CCOC(=O)Cc1csc(SCC(=O)c2ccc(N3CCCC3=O)cc2)n1 15332889 WFBKMTLYYUAWTM-UHFFFAOYSA-N 404.513 3.351 0 40 HGAB COc1ccc(Nc2nc(N3CCOCC3)nc3c2cnn3-c2ccccc2)cc1 16954244 XYZDJJIFWCVFCY-UHFFFAOYSA-N 402.458 3.404 0 40 HGAB C[C@H](NC(=O)CCC(=O)c1ccc2c(c1)OCCCO2)c1ccc(-n2cncn2)cc1 18159918 PGRXCZGEBFLUCX-INIZCTEOSA-N 420.469 3.269 0 40 HGAB COCCn1c(C)cc2cc(NC(=O)[C@@H](C)Sc3nc(=O)c(C)c(C)[nH]3)ccc21 19126255 XKDWIVRFLFRGCT-OAHLLOKOSA-N 414.531 3.416 0 40 HGAB COc1ccc([C@H](CN(C)C(=O)Cc2ccc(OC)c(C)c2)N2CCOCC2)cc1 19571003 LSAUKYAYBDADIT-QFIPXVFZSA-N 412.530 3.087 0 40 HGAB CCCn1nc(C)c(-c2cc(C(=O)N3CC[C@](O)(c4ccc(C)cc4)C3)[nH]n2)c1C 19719290 FJUXZZCPMSUNQT-HSZRJFAPSA-N 407.518 3.342 0 40 HGAB COc1ccccc1[C@H](CNC(=O)c1cccc(N2CCCC2=O)c1)N1CCCC1 22680283 VYUZMRDGLPPQKP-NRFANRHFSA-N 407.514 3.389 0 40 HGAB COc1ccc(Cl)cc1NC(=O)C(=O)NCC1CCN(Cc2cccs2)CC1 23127546 KNEROUDAYFLRJO-UHFFFAOYSA-N 421.950 3.377 0 40 HGAB C[C@H]1Cc2cc(C(=O)OCc3nc4ccccc4s3)ccc2N1S(C)(=O)=O 24423043 PDGPNSDQYQQMHD-LBPRGKRZSA-N 402.497 3.364 0 40 HGAB CNS(=O)(=O)c1ccc(C(=O)N2CCc3sccc3[C@H]2c2ccccc2)cc1 25899543 FWVUDXSTEGQUCX-HXUWFJFHSA-N 412.536 3.444 0 40 HGAB Cc1nn(Cn2ccc(C(=O)N[C@@H](C)c3ccccc3)n2)c(C)c1Br 27973361 CJJNJWPYAPEBHN-LBPRGKRZSA-N 402.296 3.456 0 40 HGAB O=C(NCC(F)(F)F)c1ccc(CN(C(=O)[C@@H]2Cc3ccccc3O2)C2CC2)cc1 29078912 ZDQBWCLNDNUKJO-IBGZPJMESA-N 418.415 3.473 0 40 HGAB NC(=O)CCn1c(-c2ccco2)nn(CN2CCC[C@H]2Cc2ccccc2)c1=S 29503045 ZLFQZEYNOWNBMO-KRWDZBQOSA-N 411.531 3.214 0 40 HGAB Cc1c([C@H](C)NC(=O)[C@H](C)NC(=O)c2cccs2)cnn1-c1ccc(F)cc1 32818210 LQKFJPJUWSMJEP-STQMWFEESA-N 400.479 3.377 0 40 HGAB CCCCn1c(-c2ccc(OC)cc2)nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 32834121 LYLBUPPKWJYTRO-UHFFFAOYSA-N 404.470 3.410 0 40 HGAB O=C(Oc1ccc(-n2cnnn2)cc1)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O 39969514 DGSNTKXNHQDRJX-NRFANRHFSA-N 412.405 3.336 0 40 HGAB CCCn1nc(C(=O)NC[C@H](c2ccccc2)N2CCc3sccc3C2)ccc1=O 40107179 QNMRGGQESAZUQE-HXUWFJFHSA-N 422.554 3.244 0 40 HGAB CC(C)(CNC(=O)Cc1n[nH]c(=O)c2ccccc12)c1ccc(Br)cc1 40113441 UPDLGONDYREMMF-UHFFFAOYSA-N 414.303 3.322 0 40 HGAB CN(C)[C@H](CNC(=O)C(=O)Nc1ccc(F)cc1Br)C1CCCCC1 41642193 PQEIPINNSBALMH-MRXNPFEDSA-N 414.319 3.153 0 40 HGAB CCCc1noc(-c2cc(S(=O)(=O)NCCc3ccccc3)ccc2OC)n1 46020207 GGDQFAMGZPBXHO-UHFFFAOYSA-N 401.488 3.219 0 40 HGAB CCN(CC)CCn1/c(=N/C(=O)c2c(Cl)nc3ccccn23)[nH]c2ccccc21 47297366 COVVYAWTIOITTL-UHFFFAOYSA-N 410.909 3.353 0 40 HGAB O=C(C1=NN(Cc2ccccc2Cl)c2ccccc2S1(=O)=O)N1CCCC1 49402499 KDKVPDDMXDCBLM-UHFFFAOYSA-N 403.891 3.070 0 40 HGAB CCCN(CCC)C(=O)Cn1c(=O)n(-c2ccccc2F)c(=O)c2sccc21 57490383 RWEUWXUHDUDBAK-UHFFFAOYSA-N 403.479 3.002 0 40 HGAB CN(C(=O)Cn1c(=O)n(-c2ccccc2F)c(=O)c2sccc21)C1CCCCC1 57490476 DKENXEUWQJHLHS-UHFFFAOYSA-N 415.490 3.144 0 40 HGAB O=C(CN(C[C@@H]1CCOC1)C1CC1)NC[C@@H](c1ccccc1Cl)N1CCCC1 58147604 CXIZJYGEFJRNDW-UWJYYQICSA-N 405.970 3.094 0 40 HGAB CCC(CC)(CNC(=O)NCCC(=O)Nc1ccc(Br)cc1)N(C)C 58162128 ZCZYXYILGHVHEG-UHFFFAOYSA-N 413.360 3.197 0 40 HGAB Cc1c[nH]c(=O)n1-c1ccccc1NS(=O)(=O)c1ccccc1OC(F)(F)F 58245677 NPIWQRXIHYJVDG-UHFFFAOYSA-N 413.377 3.173 0 40 HGAB COc1ccccc1NC(=O)[C@@H](C)N1CCC(c2nc(-c3ccccn3)no2)CC1 58305414 NEDBFUIGVSDYFU-OAHLLOKOSA-N 407.474 3.347 0 40 HGAB COc1cccc(-c2ccc(=O)n(CC(=O)Nc3nc4c(s3)CCCCC4)n2)c1 61719938 OKJKVLVMMQIAIR-UHFFFAOYSA-N 410.499 3.283 0 40 HGAB Cc1nc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)N2CCSCC2)sc1C 71334203 GKEYIIIOOKFOAV-MRXNPFEDSA-N 404.561 3.068 0 40 HGAB O=C(CSc1ccc(F)c(F)c1)N[C@@H]1CC(=O)N([C@H]2C[C@H]2c2ccccc2)C1 72303280 GJXSLVIYNBDVTB-ALKREAHSSA-N 402.466 3.330 0 40 HGAB COc1ccc(CN2C[C@@H](C(=O)N(C)c3nnc(-c4ccccc4)s3)CC2=O)cc1 79019222 WFKRPVILYBLYPS-KRWDZBQOSA-N 422.510 3.225 0 40 HGAB COc1ccc(Cl)cc1C(=O)N1CCC(C(=O)N[C@@H]2[C@H](C)[C@@H](OC)C2(C)C)CC1 95987278 FJNRAHKVZOHSGJ-MJXNMMHHSA-N 422.953 3.377 0 40 HGAB CC(C)CNC(=O)C[C@@H]1CC2(CCN(Cc3cnn(C)c3)CC2)Oc2ccccc21 96053512 PUEZNTPSZAASHP-HXUWFJFHSA-N 410.562 3.483 0 40 HGAB O=C(COc1ccccc1F)N1CCC(Oc2ncccc2Br)CC1 96096956 VPFGURCANNCHFQ-UHFFFAOYSA-N 409.255 3.432 0 40 HGAB CC(C)n1c2ccccc2c2c1cc(C(=O)NCCc1ccncc1)n2S(C)(=O)=O 96146385 LFKPALGEYJBVKH-UHFFFAOYSA-N 424.526 3.352 0 40 HGAB CCOc1ccc(C2=N/C(=C/c3ccc(OCC(=O)O)cc3)C(=O)O2)cc1OCC 96634983 NZNSOUOAKNKFNX-GZTJUZNOSA-N 411.410 3.292 0 40 HGAB O=c1cccc2n1C[C@@H]1C[C@@H]2CN(C(=S)Nc2ccc(Br)cc2)C1 100628893 FQOFHQPANZZZDH-CHWSQXEVSA-N 404.333 3.427 0 40 HGAB C[C@@H](CCc1ccccc1)NC(=O)[C@@H]1[C@@H]2C=C[C@]3(CN(c4ccccc4)C(=O)[C@H]13)O2 100788236 DOQJCMSPVWOHSQ-JKEOVDNKSA-N 402.494 3.111 0 40 HGAB COc1cc(OC)cc(N2C(=O)[C@H]3N=NN(c4ccc(C)c(Cl)c4)[C@@H]3C2=O)c1 101260844 SQHSTPRZBMRPDB-IRXDYDNUSA-N 400.822 3.163 0 40 HGAB O=C(Nc1ccc(F)cc1)[C@H](Cc1ccccc1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 102087336 REJQFAZLCHIQCS-NHUSPQTBSA-N 404.441 3.183 0 40 HGAB Cc1ccc(OC[C@H](C)NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)cc1 219258790 JROHUNXEZDSURG-DLBZAZTESA-N 422.572 3.041 0 40 HGAB O=C(CCCN1C(=O)c2ccccc2S1(=O)=O)Nc1cccc(Br)c1 219428778 PLXKCMHUMPSKSP-UHFFFAOYSA-N 423.288 3.013 0 40 HGAB Cc1ccc(OCCNC(=O)c2ccc(C)c(N3CCCCS3(=O)=O)c2)cc1 222571907 MZKPUFMMYJEGTJ-UHFFFAOYSA-N 402.516 3.042 0 40 HGAB COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)N(c1ccc(C)c(C)c1)S(C)(=O)=O 222673921 BQKUZNLJIQGADU-IAGOWNOFSA-N 404.532 3.344 0 40 HGAB CCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CCc1ccc2c(c1)OCO2 222980812 XMNOXGKFIGXQFU-HNNXBMFYSA-N 400.450 3.040 0 40 HGAB CCc1ccc([C@H](C)NC(=O)CN(c2ccc3c(c2)OCO3)S(=O)(=O)CC)cc1 223059309 KZWHPFDRCSCWLV-HNNXBMFYSA-N 418.515 3.011 0 40 HGAB CC[C@@H](C)NC(=O)c1ccc(CN(CC)S(=O)(=O)c2ccc(OC)cc2)cc1 224463388 PTIWGJQEXHJTIE-MRXNPFEDSA-N 404.532 3.434 0 40 HGAB CCc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2ccc(N(C)S(C)(=O)=O)cc2)cc1 224691664 SPLQXLKYBVVKHL-JKSUJKDBSA-N 404.532 3.290 0 40 HGAB COC(=O)CN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccc(OC)c(F)c1 225107173 DYIWZKKGMCMKMT-UHFFFAOYSA-N 401.843 3.164 0 40 HGAB O=C(NCc1nncn1-c1ccc(Cl)cc1)c1ccc(O[C@H]2CCSC2)nc1 225717567 UKZGIXIVTZOEHK-INIZCTEOSA-N 415.906 3.130 0 40 HGAB CCCOc1ccc(N(CC(=O)NCCSC2CCCC2)S(C)(=O)=O)cc1 225750907 UHPKRGBOMRIHJL-UHFFFAOYSA-N 414.593 3.033 0 40 HGAB C[C@H]1CCCN(c2cc(N3CCCCC3)nc(NC(=S)NC[C@@H]3CCCO3)n2)C1 225907206 LKOGFPNCJAAYQB-IRXDYDNUSA-N 418.611 3.169 0 40 HGAB O=Cc1ccccc1OC(=O)c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@@H]45)[C@H]3C2=O)c1 226405143 RFLWIOWPGUENSI-UAOWYBJRSA-N 413.429 3.276 0 40 HGAB Cc1c(Cl)cccc1S(=O)(=O)NCCn1nc(-c2cnccn2)cc1C1CC1 238927911 UUWPDWJCIHJSRT-UHFFFAOYSA-N 417.922 3.158 0 40 HGAB CCc1onc(C)c1-c1cccc([C@@H]2CN(C(=O)c3cnc(C4CC4)nc3)CCO2)n1 257203515 AQKPUPOVUAYXHR-FQEVSTJZSA-N 419.485 3.489 0 40 HGAB CC(=O)N1[C@@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)N2C(=O)c1ccncn1 257239496 HPNAXGTZDOGDTD-QMDPOKHVSA-N 404.514 3.092 0 40 HGAB Cc1ccc(=O)n(CC(=O)N2CCC[C@@H]2c2ncc(Cc3ccccc3Cl)o2)n1 257298343 RLHAKOHETHFAMV-GOSISDBHSA-N 412.877 3.148 0 40 HGAB Cc1cncc(C(=O)N2CCC[C@@](COc3cccc(Cl)c3)(CC(N)=O)C2)c1 257340407 ZFXVXMPFIISXCY-OAQYLSRUSA-N 401.894 3.220 0 40 HGAB COCCCNC(=S)Nc1nc(N2CCCCC2)cc(N2CCC[C@H](C)C2)n1 260737717 NMWRPVRAQFCFBZ-INIZCTEOSA-N 406.600 3.026 0 40 HGAB Cc1ccc(N2C[C@H]3C[C@@]3(C(=O)Nc3ccc(OC(C)C)cc3)S2(=O)=O)cc1 260828952 GIDMQAWFWGSZPV-IIBYNOLFSA-N 400.500 3.329 0 40 HGAB Cc1cc(C)cc(CN2CC[C@@]3(COCc4cnc(NCc5cncn5C)nc43)C2)c1 306132618 LNXAELIPEHSISL-DEOSSOPVSA-N 418.545 3.113 0 40 HGAB CN1Cc2nnc(-c3cccs3)n2C2(CCN(C(=O)Cc3ccccc3)CC2)C1 306137403 QVLJOOCSBDNAQW-UHFFFAOYSA-N 407.543 3.012 0 40 HGAB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NC(C)(C)C)cc1C 408527687 FGBSPRSXUDQGSM-UHFFFAOYSA-N 418.559 3.152 0 40 HGAB Cc1ccc(CNC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccccc2)cc1 408596282 RXIURPVPHUAERY-QFIPXVFZSA-N 408.523 3.201 0 40 HGAB CCNC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(OC(C)C)cc2)C1 408615245 NYMXUZBRTAUNGD-MRXNPFEDSA-N 409.486 3.215 0 40 HGAB CCNS(=O)(=O)[C@H]1CCN(C(=O)Nc2ccnc(Oc3ccccc3Cl)c2)C1 537845847 XPLVBQUWDZFYJB-AWEZNQCLSA-N 424.910 3.073 0 40 HGAB Cc1c(C(=O)Nc2ccnn2[C@H]2CCCc3ccccc32)cnn1-c1ccc(O)nn1 589497311 SDZOWKFDVIHUNA-SFHVURJKSA-N 415.457 3.051 0 40 HGAB Cc1cccc(C[C@@H](CO)NC(=O)NCc2cc(-c3ccc(F)cc3F)on2)c1 1687484687 INFOYBKNZJFBGF-KRWDZBQOSA-N 401.413 3.331 0 40 HGAB CSc1ccccc1C(=O)N1CCC(Oc2ncc(-c3cnn(C)c3)cn2)CC1 1889226149 SJTOIQCVLKODQX-UHFFFAOYSA-N 409.515 3.283 0 40 HGAB CCOc1ccc(-c2nnc(SCC(=O)Nc3cc(C)ccc3OC)n2N)cc1 2335194 YJRUTGXBPHZKLH-UHFFFAOYSA-N 413.503 3.105 0 40 HGAB Cc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1C 2726545 BKEUUBJWPIQHHV-UHFFFAOYSA-N 423.541 3.362 0 40 HGAB O=C(COC(=O)COc1ccc(Cl)cc1Br)NCc1cccs1 3280086 RBIFDYWRQFWSEL-UHFFFAOYSA-N 418.696 3.402 0 40 HGAB CCOC(=O)c1c(NC(=O)COC(=O)c2cccnc2OCC)sc(C)c1C 3290919 OGVNJUNTABUDEA-UHFFFAOYSA-N 406.460 3.131 0 40 HGAB Cc1cc(NC(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)ccc1Br 3458007 YXBFIDCSXPFZBP-UHFFFAOYSA-N 408.296 3.197 0 40 HGAB O=C(COc1ccc(F)c(Cl)c1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 3524784 KQZZIAZDQRTYLV-UHFFFAOYSA-N 412.870 3.281 0 40 HGAB O=C(CN1CC[C@@]2(O)CCCC[C@H]2[C@@H]1c1ccc2c(c1)OCO2)NCc1ccccc1 4061508 OAPSQBRBZODEOZ-OPXMRZJTSA-N 422.525 3.400 0 40 HGAB biogenic Cc1ccccc1NC(=O)CSc1ncnc2c1nnn2Cc1ccc(F)cc1 4166425 DTTCLQJEMUVYAB-UHFFFAOYSA-N 408.462 3.448 0 40 HGAB CCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(F)c(Cl)c2)cc1 4689045 URGSOKASICEDMF-UHFFFAOYSA-N 400.859 3.185 0 40 HGAB Cc1ccccc1N(CC(=O)NCCC(C)C)C(=O)CCC(=O)Nc1ccccn1 4848263 AWBPGDYFNNNDAG-UHFFFAOYSA-N 410.518 3.304 0 40 HGAB CC(C)(C)NC(=O)[C@H](c1ccccn1)N(Cc1ccccc1)C(=O)c1csnn1 4858784 XXZRYKOYSMSZPG-SFHVURJKSA-N 409.515 3.232 0 40 HGAB COc1ccc(-c2noc(CNC(=O)[C@H](C)Oc3cccc(Cl)c3)n2)cc1OC 4943832 RNCFKYOFENDTBH-LBPRGKRZSA-N 417.849 3.491 0 40 HGAB COc1cc(/C=C2/N=C(c3ccc4c(c3)OCO4)OC2=O)ccc1OC(=O)C(C)C 5000722 IZOCINCQYIAIIZ-OVCLIPMQSA-N 409.394 3.330 0 40 HGAB CCc1ccccc1N1C[C@@H](C(=O)OCC(=O)Nc2ccc3c(c2)CCC3)CC1=O 5037363 VELJDTXTAZFCFT-IBGZPJMESA-N 406.482 3.273 0 40 HGAB CN(C1CCCC1)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)CCC3)cc1 5373279 WLCVRZNAKZNGBD-UHFFFAOYSA-N 405.545 3.447 0 40 HGAB COc1c(O)cc2c(c1OC)-c1ccc(SC)c(=O)cc1[C@H](NC(C)=O)CC2 5520495 PKYOHQGXPPVIGD-OAHLLOKOSA-N 401.484 3.282 0 40 HGAB biogenic C[C@@H](NC(=O)Nc1cccc2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)O 5920463 JYEBKNONUNVENG-QRWLVFNGSA-N 405.454 3.162 0 40 HGAB O=C(COC(=O)Cc1ccc(-c2ccccc2)cc1)NC(=O)NCc1ccccc1 6085647 PXBBGDJMWWDFCT-UHFFFAOYSA-N 402.450 3.465 0 40 HGAB CCc1nnc(SCc2ccccc2)n1NC(=S)NC(=O)/C=C/c1ccco1 6605197 CNCRCAFVZJITGR-ZHACJKMWSA-N 413.528 3.384 0 40 HGAB O=C(CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O)N[C@H]1CCSc2ccccc21 7988402 XLUVFOHOUKUQCW-FDDCHVKYSA-N 421.522 3.123 0 40 HGAB Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(c3ncnc4ccccc34)CC2)c1C 8071236 XYDRUUJTHATIDX-UHFFFAOYSA-N 410.543 3.374 0 40 HGAB O=C1N[C@]2(CCOc3ccccc32)C(=O)N1Cc1nc(-c2ccccc2Cl)no1 8185373 PUOSYESEZNBKAV-FQEVSTJZSA-N 410.817 3.120 0 40 HGAB COc1ccc(CC[C@@]2(C)NC(=O)N([C@@H](C)C(=O)Nc3ccccc3F)C2=O)cc1 8389252 WQMCFMVBFRABTE-RCDICMHDSA-N 413.449 3.105 0 40 HGAB CCCC[C@@H](C(=O)OCC(=O)Nc1ccc(F)cc1)N1C(=O)c2ccccc2C1=O 8411241 IGRQLYVGKMIPMR-SFHVURJKSA-N 412.417 3.162 0 40 HGAB COc1ccccc1C(=O)C[C@]1(O)C(=O)N(CN2CCCCCC2)c2ccccc21 8569930 XDUZUOPSVLWNSU-XMMPIXPASA-N 408.498 3.336 0 40 HGAB CCNC(=O)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccc(Br)cc1 8677799 UIULJVGMQCHPNS-OQLLNIDSSA-N 417.259 3.085 0 40 HGAB CNC(=S)N(Cc1cccs1)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O 8829208 SJRLELBWVYHFNK-UHFFFAOYSA-N 403.529 3.113 0 40 HGAB CCc1nn2c(=O)cc(COC(=O)c3c4c(nc5ccccc35)CCCC4)nc2s1 9222102 WHQGNCSGKMFQGT-UHFFFAOYSA-N 420.494 3.497 0 40 HGAB O=C(COc1ccc2ccc(=O)oc2c1)N1CCC(O)(c2ccc(Cl)cc2)CC1 9341489 YGCZCEKAWOHOJO-UHFFFAOYSA-N 413.857 3.335 0 40 HGAB Cc1nn(C)c(C)c1C(=O)OCC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1 10953342 RHXUPOZXIIHGLY-UHFFFAOYSA-N 409.490 3.316 0 40 HGAB Cc1cccc(NC(=O)CN2CCN(c3nccn3-c3ccccc3F)CC2)c1C 11695769 KGGHAPZTJAKLFJ-UHFFFAOYSA-N 407.493 3.389 0 40 HGAB O=C(CNC(=O)c1ccc(Cl)cc1)Nc1nc2cc3c(cc2s1)OCCO3 11752008 AHLANECELXTVJK-UHFFFAOYSA-N 403.847 3.089 0 40 HGAB CCCCn1c(C(=O)Nc2cccc(C(F)(F)F)c2)cc2c(=O)n(C)c(=O)n(C)c21 11845452 DEVHXUJILNOKPJ-UHFFFAOYSA-N 422.407 3.110 0 40 HGAB CNS(=O)(=O)c1cccc(C(=O)Nc2ccc(OC)c(Cc3ccccc3)c2)c1 12042714 NIQSWNSAMBGEHK-UHFFFAOYSA-N 410.495 3.446 0 40 HGAB CCOC(=O)C1(C[C@@H]2CC(c3ccc(F)cc3)=NO2)CCN(C[C@H]2CCOC2)CC1 12156690 BDJJGWUCPMHXPT-XLIONFOSSA-N 418.509 3.391 0 40 HGAB Cn1cnnc1Sc1ccccc1NS(=O)(=O)c1ccc(F)c(F)c1F 12650678 YWOVVVVRMOJSFZ-UHFFFAOYSA-N 400.407 3.184 0 40 HGAB O=S(=O)(c1ccc(Cl)c(C(F)(F)F)c1)N1CCN(c2ccccn2)CC1 12661139 CSHALCZIFCWARH-UHFFFAOYSA-N 405.829 3.265 0 40 HGAB COc1cc2nc(NC(=O)CCNC(=O)NC3CCCCC3)sc2cc1OC 12758208 PUIAYBZGVGVHCI-UHFFFAOYSA-N 406.508 3.274 0 40 HGAB CCOc1cc(COC(=O)c2nn(C)c(=O)c3ccccc23)ccc1OC(F)F 12774212 GOTFIBRUQBWHOV-UHFFFAOYSA-N 404.369 3.291 0 40 HGAB C[C@@]12CCC(=O)N1[C@H](C(=O)Nc1nnc(SCc3ccccc3)s1)CS2 12853157 RWZSLAAUUDTXRH-YVEFUNNKSA-N 406.558 3.223 0 40 HGAB O=C(CN1C(=O)CC2(CCCC2)C1=O)N1CCC(c2nc3ccccc3s2)CC1 12908519 JLKPBLJBRHXNBB-UHFFFAOYSA-N 411.527 3.322 0 40 HGAB CCCc1ccc([C@@H](NC(=O)C2CCN(c3ccc4nnnn4n3)CC2)C(C)C)cc1 12985946 SNVBDRBQBUUYNQ-QFIPXVFZSA-N 421.549 3.202 0 40 HGAB COc1cccc(NS(=O)(=O)c2cc(C)n(S(=O)(=O)c3ccccc3)c2C)c1 13585949 PZSDINNRCLNNJN-UHFFFAOYSA-N 420.512 3.151 0 40 HGAB C[C@H](SCc1nc(N)nc(Nc2ccccc2)n1)C(=O)NCCc1ccccc1 15495197 VITYEKWZDZWMBH-HNNXBMFYSA-N 408.531 3.178 0 40 HGAB CCCC(=O)Nc1ccc(C(=O)OCc2cc(=O)n3nc(C(C)C)sc3n2)cc1 15771486 QKSHNMQWZGAPEE-UHFFFAOYSA-N 414.487 3.370 0 40 HGAB CCCN1C(C)=NS(=O)(=O)c2cc(C(=O)Nc3ccccc3C(=O)OC)ccc21 15867585 VLINFTBJUKKJEJ-UHFFFAOYSA-N 415.471 3.063 0 40 HGAB CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCc2c[nH]c3ccccc23)c1 17294858 YYUJKCIVXKYOBI-UHFFFAOYSA-N 405.907 3.044 0 40 HGAB CC(C)(C)C(=O)N1CCC[C@@H](c2cc(O)nc(C3CCN(C(=O)C4CC4)CC3)n2)C1 19081206 BBUYTGZTVKWBJK-QGZVFWFLSA-N 414.550 3.050 0 40 HGAB CCCCCOc1ccc(C(=O)OCCOc2ccc(S(N)(=O)=O)cc2)cc1 19312744 TVMITOWPZWUOOQ-UHFFFAOYSA-N 407.488 3.139 0 40 HGAB CCNC(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)CCCN(C(=O)[C@@H]2CCCO2)C1 19528472 PNUHHILIPQBDKG-WIOPSUGQSA-N 421.541 3.215 0 40 HGAB COc1cccc(CC(=O)N(C)Cc2nc(N3CCCC3)ncc2-c2ccncc2)c1 19586351 TWXMKIGVAHGZBX-UHFFFAOYSA-N 417.513 3.349 0 40 HGAB CN1CCCC[C@H]1CC(=O)NCCn1ncc(-c2cnccn2)c1-c1cccs1 19588869 NWLKHWWXTZAKQC-INIZCTEOSA-N 410.547 3.059 0 40 HGAB Cc1cc(C)c2c(=O)n(Cc3nc(-c4ccc(Cl)cc4)oc3C)c(=O)n(C)c2n1 19625509 PMKREIAKIMUNQU-UHFFFAOYSA-N 410.861 3.377 0 40 HGAB Cc1cc(NC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)c2ncccc2c1 19654849 BIXBLAGMYMXIKX-MRXNPFEDSA-N 403.438 3.306 0 40 HGAB CCOc1cccc2sc(NC(=O)CN3C(=O)N[C@@](C)(c4ccccc4)C3=O)nc12 19715296 SONNLMPRXUAGMG-NRFANRHFSA-N 424.482 3.101 0 40 HGAB CCc1cccc2c(=O)c(CN3CCN(Cc4ccc5c(c4)OCO5)CC3)c(C)[nH]c12 19793694 SIEHQASIAVRPQS-UHFFFAOYSA-N 419.525 3.445 0 40 HGAB CCCCCCc1c(O)nc(SCCN2CCOCC2)n(-c2ccccc2)c1=O 20100556 QIFFGJNJFBUGMB-UHFFFAOYSA-N 417.575 3.485 0 40 HGAB CN(c1ccc(OCC(=O)Nc2ccc(C(F)(F)F)cc2)cc1)S(C)(=O)=O 22230586 FGNBKGRLTANZOF-UHFFFAOYSA-N 402.394 3.119 0 40 HGAB CCOc1ccc2c(c1)c(=O)c(C(=O)N[C@@H](C)c1ccc(OC)c(OC)c1)cn2C 22237428 WRWWMESPHYQTLL-AWEZNQCLSA-N 410.470 3.445 0 40 HGAB O=C(NCc1ccc(OCC(F)(F)F)cc1)[C@H]1CCCN(C(=O)c2ccco2)C1 22509492 LPGMGBYQFABFQP-HNNXBMFYSA-N 410.392 3.389 0 40 HGAB Cc1ccc(N2C(=O)C[C@H](N3CCN(Cc4ccc(Cl)s4)CC3)C2=O)c(C)c1 22932968 GLIVECXQDOKBGN-SFHVURJKSA-N 417.962 3.468 0 40 HGAB Cc1ccccc1[C@H](OC[C@@H](O)CN1C(=O)NC2(CCCC2)C1=O)c1ccccc1 24094627 RVBAJRSJRVRAJT-PZJWPPBQSA-N 408.498 3.327 0 40 HGAB O=C(c1cc(F)ccc1Br)N1CCN(Cc2ccc3c(c2)CCO3)CC1 24137248 CLDHUJZGOKUYBA-UHFFFAOYSA-N 419.294 3.481 0 40 HGAB CCOc1ncccc1NC(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 27586074 ZEZKBZXZZZZZIM-GFCCVEGCSA-N 404.264 3.234 0 40 HGAB CCn1c(SCC(=O)Nc2cc(OC)ccc2OC)nc2ccsc2c1=O 27818462 CBQJHUDCSPPHBS-UHFFFAOYSA-N 405.501 3.226 0 40 HGAB CCc1ccc2oc(C(=O)N[C@H]3CCCC[C@@H]3N3C(=O)CSC3=O)cc(=O)c2c1 28284130 UNAFUCGLRVUYRN-GJZGRUSLSA-N 414.483 3.092 0 40 HGAB COC(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N(Cc2ccccc2)C12CCCC2 32091145 NEXZGTPVUWIIDX-NRFANRHFSA-N 406.482 3.028 0 40 HGAB C[C@@H](NC(=O)c1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1)c1cccnc1 32901553 HDABFGDLUKDOBE-CQSZACIVSA-N 406.467 3.134 0 40 HGAB O=c1c2cn[nH]c2nc(SCc2nc(-c3ccccc3)no2)n1-c1ccccc1 33292191 FQLBKCJEXDTMOP-UHFFFAOYSA-N 402.439 3.451 0 40 HGAB CCCNS(=O)(=O)c1ccc(OCC(=O)Nc2cccc(C(C)=O)c2)c(Cl)c1 33659881 UECTXMCPEHHTRT-UHFFFAOYSA-N 424.906 3.248 0 40 HGAB CC[C@@H](C)NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 33739544 RBOPCVYNIHFSIV-CQSZACIVSA-N 406.504 3.057 0 40 HGAB Cc1ccc(-c2nn3c(c2C)NC(=O)C[C@H]3C(=O)Nc2cccc(C(=O)O)c2)cc1 35684471 ONZCJCBQGGBLPR-KRWDZBQOSA-N 404.426 3.387 0 40 HGAB Cc1cc(C(=O)Nc2nnc(SCC(=O)N3CCCc4ccccc43)s2)no1 42379163 HWEYQYQWAUUUOH-UHFFFAOYSA-N 415.500 3.158 0 40 HGAB COC(=O)c1cn(Cc2ccccc2Cl)nc1S(=O)(=O)N(C)c1ccccc1 49402290 AMFLGDWCJCUSIW-UHFFFAOYSA-N 419.890 3.197 0 40 HGAB C[C@H]1CCCCN1S(=O)(=O)NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1 56124624 IQLULKQBKSJKGL-HNNXBMFYSA-N 419.513 3.379 0 40 HGAB CN1CCN(Cc2cccc(NC(=O)CCc3nnc(-c4ccccc4)o3)c2)CC1 57055032 WHVWSPFNXAOUKZ-UHFFFAOYSA-N 405.502 3.055 0 40 HGAB O=C1C[C@H](c2ccccc2)N(S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)CCN1 57482642 REZDWZIFHBYJOE-MRXNPFEDSA-N 416.396 3.096 0 40 HGAB CC1(C)Cc2cccc(OS(=O)(=O)c3cc4c(cc3Cl)NC(=O)CO4)c2O1 58791009 PPIAHOJGWFIVKY-UHFFFAOYSA-N 409.847 3.152 0 40 HGAB Cc1cc(F)ccc1S(=O)(=O)NCC1CCN(c2nc3ccccc3o2)CC1 70923870 GULXVPPPKGLKOR-UHFFFAOYSA-N 403.479 3.470 0 40 HGAB COc1cc2c(cc1OC)[C@@H]1c3ccccc3N(CC(=O)N3CCCC3)C(=O)N1CC2 72342036 PHGUCBMKXQXDGV-QHCPKHFHSA-N 421.497 3.214 0 40 HGAB CCOc1ccc(CC(=O)N2CCN(CCn3ccnc3-c3ccccc3)CC2)cc1 77159036 XJRFHWVRLXKXOW-UHFFFAOYSA-N 418.541 3.336 0 40 HGAB COc1ccc(C)cc1N1C[C@@H](C(=O)N(C[C@@H](O)c2ccccc2)C2CC2)CC1=O 84144647 VIQDXTWEKOFWEP-GHTZIAJQSA-N 408.498 3.081 0 40 HGAB Cc1cc(N2CCOCC2)nc(CNC(=O)C(c2ccccc2)c2ccccc2)n1 96120911 BBVAOBGTGUGBMO-UHFFFAOYSA-N 402.498 3.070 0 40 HGAB CCc1ccc(NC(=O)N2CC[C@]3(C2)CN(c2cccc(F)c2)C(=O)CN3C)cc1 96237973 BKJZZIYSPPPYCQ-QHCPKHFHSA-N 410.493 3.343 0 40 HGAB O=C(NCc1cccs1)[C@@H]1CN(C(=O)CCc2ccccc2)CC12CCOCC2 96241162 XEKZDJYEQMCVJE-FQEVSTJZSA-N 412.555 3.252 0 40 HGAB Cc1cc(Br)oc1C(=O)N1CCCN(C(=O)c2ccccc2F)CC1 97476728 FEXNAFYEFGYOEZ-UHFFFAOYSA-N 409.255 3.478 0 40 HGAB CC1(C)[C@H]2CC[C@@]1(C)c1nc(SCC(=O)c3ccc4c(c3)NC(=O)CO4)nnc12 100476970 JLJFHXCGHOWWQV-QKVFXAPYSA-N 410.499 3.352 0 40 HGAB O=c1cccc2n1C[C@@H]1C[C@@H]2CN([C@H](c2ccccc2)c2nnnn2-c2ccccc2)C1 100744299 MTAIYTIOQSSQHB-DRMXPCRNSA-N 424.508 3.033 0 40 HGAB Cc1ccccc1NC(=O)CN1N=N[C@@H]2C(=O)N(c3ccc(C(C)C)cc3)C(=O)[C@@H]21 101417090 LMUKJIPTFKIWLY-VQTJNVASSA-N 405.458 3.050 0 40 HGAB Cc1nn(Cc2ccc(F)cc2Cl)c(C)c1N1C(=O)[C@@H]2[C@@H]3CC[C@H](O3)[C@@H]2C1=O 102014538 MNNBMQCYKDQJSJ-LUKYLMHMSA-N 403.841 3.008 0 40 HGAB O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)Nc1nc(-c2ccccc2Cl)cs1 102399809 PZCKNHGITSZSEF-NXKWAJLKSA-N 413.886 3.209 0 40 HGAB CCOc1cc(/C=C2\SC(=N)[C@H](c3nccs3)C2=O)ccc1OCC(=O)O 136781952 LOBZKJGASGFCFC-AQBXLNQDSA-N 404.469 3.423 0 40 HGAB CCSc1ccccc1NC(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O 216313168 OORREVWXWRPGGV-UHFFFAOYSA-N 424.544 3.221 0 40 HGAB CC[C@@H](C(=O)Nc1ccc(OC)cc1OC)N(c1cccc(C)c1)S(C)(=O)=O 220496987 ARWMQFLGMDPAMJ-SFHVURJKSA-N 406.504 3.196 0 40 HGAB CC[C@@H](C(=O)NCc1ccccc1OC)N(c1cc(C)ccc1C)S(C)(=O)=O 220535577 RJVXXSKTDASDSO-SFHVURJKSA-N 404.532 3.173 0 40 HGAB COC(=O)c1ccc(Cl)c(NC(=O)c2ccc(N(C)S(C)(=O)=O)c(C)c2)c1 222476480 GNWWTRATGOQIOF-UHFFFAOYSA-N 410.879 3.083 0 40 HGAB CCc1ccc(N(CCCC(=O)N(C)Cc2ccc(OC)cc2)S(C)(=O)=O)cc1 222638387 PFQUGACPBMVPMY-UHFFFAOYSA-N 418.559 3.462 0 40 HGAB CCSc1nnc(NC(=O)[C@@H](CC)N(c2ccc(C)cc2)S(C)(=O)=O)s1 222648020 ZIFHSUSLKBVQEF-CYBMUJFWSA-N 414.578 3.142 0 40 HGAB O=C(NCCc1ccccc1)[C@@H]1CN(C(=O)Cc2cccs2)c2ccccc2O1 222959044 HTVCPBZXMVQIME-NRFANRHFSA-N 406.507 3.444 0 40 HGAB COCCn1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc2c(c1)OCO2 224007887 CXBWXBBZESRGHE-RTWAWAEBSA-N 422.510 3.435 0 40 HGAB COc1ccc(N(C)S(=O)(=O)c2ccc(OC)c(Br)c2)c(OC)c1 224878585 RTCGYDHGCCLBQH-UHFFFAOYSA-N 416.293 3.300 0 40 HGAB COc1ccc(OC)c([C@@H](C)NC(=O)c2cc(NS(C)(=O)=O)ccc2Cl)c1 225632213 VYTCTXYAWLRULJ-LLVKDONJSA-N 412.895 3.220 0 40 HGAB COc1cccc(-c2noc(CNC(=S)Nc3ccc(OC)cc3OC)n2)c1 225822006 FSHGCDJJGQFFCV-UHFFFAOYSA-N 400.460 3.249 0 40 HGAB O=C(NCCC1=CCCCC1)C(=O)NC[C@@](O)(c1ccsc1)c1cccs1 244983779 IQWUDHRJDGMDFH-HXUWFJFHSA-N 404.557 3.168 0 40 HGAB O=C([C@@H]1C[C@H]2C=C[C@H]1C21CC1)N1CCC(N2CCN(Cc3ccccc3)CC2)CC1 247832340 LNDGNLVQHRSQSL-GMKZXUHWSA-N 405.586 3.398 0 40 HGAB CCCN1CCN(Cc2c[nH]cn2)C[C@H](Cc2ccccc2-c2cccnc2)C1=O 257286513 PLWPXHDTBHJMDL-NRFANRHFSA-N 403.530 3.385 0 40 HGAB CCc1onc(C)c1-c1cccc([C@H]2CN(C(=O)CCCn3cccn3)CCO2)n1 257294449 QUFHGAGEEFKNCH-HXUWFJFHSA-N 409.490 3.184 0 40 HGAB Cc1nc([C@@H]2CCN(C(=O)c3ccccc3)C2)nc(C)c1CC(=O)N1CCCCC1 257315866 VDAXNZMNLTURCU-HXUWFJFHSA-N 406.530 3.278 0 40 HGAB Cc1nccc(C[C@H]2CC[C@@H]3CN(CC(=O)Nc4ccc5c(c4)nc(C)n5C)C[C@@H]32)n1 257319846 VUGYORQJBKCCGJ-DBXWQHBBSA-N 418.545 3.119 0 40 HGAB Cc1cccc(C)c1OCC(=O)N1CCC(c2n[nH]cc2C(=O)N2CCCC2)CC1 257322597 WGPXDZPWGGZKRQ-UHFFFAOYSA-N 410.518 3.048 0 40 HGAB Cc1ccc(CN2C[C@H]3Cc4nnc(C(=O)NCc5ccccc5)n4C[C@@H]3C2)cc1C 306143429 YCBPZYXDLLLHSW-YADHBBJMSA-N 415.541 3.129 0 40 HGAB COc1ccc(S(=O)(=O)NCc2ccncc2)cc1NC(=O)c1ccc(C)cc1 408560445 PADBTJUOZRENKM-UHFFFAOYSA-N 411.483 3.129 0 40 HGAB CCOCCCNC(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc(C)cc1 409128272 DKNYKYNJBANWAT-UHFFFAOYSA-N 404.532 3.042 0 40 HGAB COCCN1C(=O)S/C(=C/c2cc(Br)cc(OC)c2OC)C1=O 409148580 ZJWXBGMGZLFBAW-KPKJPENVSA-N 402.266 3.149 0 40 HGAB COc1cc(/C=C2\SC(=O)N(CC(=O)NCc3ccc(C)cc3)C2=O)ccc1O 409216142 IDGDLRPAKBAAQC-ZDLGFXPLSA-N 412.467 3.062 0 40 HGAB COc1ccc2nc(C[C@H]3CN(C(=O)CC(C)(C)C)CC[C@H]3CC(=O)O)[nH]c2c1 514289566 VEYHPOOZXONIBQ-GJZGRUSLSA-N 401.507 3.490 0 40 HGAB biogenic,in-vitro CCCc1onc(C)c1C(=O)N1CC2(CC[C@@H](CN(C)Cc3cccnc3)CO2)C1 575402525 CACGUGMMQKQAQO-IBGZPJMESA-N 412.534 3.084 0 40 HGAB O=C(CCN1C(=O)NC2(CCCC2)C1=O)N[C@@H](Cc1ccccc1)c1cccs1 604850529 ZEHMORHWEOHIHP-KRWDZBQOSA-N 411.527 3.403 0 40 HGAB O=C(NCC(=O)N1CCC[C@H]1c1ncc(Cc2ccccc2F)o1)c1ccccc1 1848353974 KQLHAQFPQJUSQT-FQEVSTJZSA-N 407.445 3.498 0 40 HGAB O=C(c1ccc2nccnc2c1)N1CC[C@H]2CN(c3cc(C(F)(F)F)ccn3)C[C@@H]21 2087158704 LZYYNHPHLWQCJL-KSSFIOAISA-N 413.403 3.395 0 40 HGAB CC(=O)c1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)c1 792330 CMSIHLPKHBPYQL-SFHVURJKSA-N 400.500 3.237 0 40 HGAB COc1cc(OC)cc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1 1008352 CWHYJFLALZXOBG-UHFFFAOYSA-N 404.488 3.131 0 40 HGAB CC[C@]1(c2cccc(Cl)c2)NC(=O)N(CC(=O)N2c3ccccc3C[C@@H]2C)C1=O 2632899 KJSJDEFWYDKYJZ-RCDICMHDSA-N 411.889 3.475 0 40 HGAB COc1ccc(-c2nc3s/c(=C\C4=Cc5ccccc5O[C@@H]4C)c(=O)n3n2)cc1 2700952 PCERYEQJVYOBBK-CQLSMYGBSA-N 403.463 3.191 0 40 HGAB CCOC(=O)c1sc(NC(=O)c2nn(C(C)C)c(=O)c3ccccc23)nc1C 3432025 NDDOLRJAAWUBLV-UHFFFAOYSA-N 400.460 3.171 0 40 HGAB Cc1[nH]c2ccc(C(=O)OCC(=O)NC(=O)Nc3ccc4c(c3)OCCO4)cc2c1C 3432345 DTPCLWUAIBYNBD-UHFFFAOYSA-N 423.425 3.061 0 40 HGAB O=C(NCc1ccc2c(c1)OCO2)c1cc(Br)c(Br)[nH]1 4038177 DVTMJKLEQPNBIP-UHFFFAOYSA-N 402.042 3.198 0 40 HGAB COc1ccc(C2=NN(C(C)=O)[C@@H](c3cc(OC)c(OC)c(OC)c3)C2)cc1OC 4511405 JPOWBMDKZKQAEG-QGZVFWFLSA-N 414.458 3.427 0 40 HGAB CSCC[C@@H](NC(=O)c1ccccc1)C(=O)NCCOc1ccc(C)c(C)c1 4619169 GVSRJCCCPXQTHG-HXUWFJFHSA-N 400.544 3.350 0 40 HGAB CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NC3CCCCCC3)C2)cc1 4813780 GZRDOEVWMUMTBT-KRWDZBQOSA-N 408.564 3.325 0 40 HGAB COc1ccc(CCCc2nnc(SCC(=O)Nc3nccs3)n2C)cc1 4814919 PQMOOGBHYFCBLI-UHFFFAOYSA-N 403.533 3.186 0 40 HGAB C[C@H](OC(=O)CNC(=O)c1cccs1)C(=O)Nc1nc(-c2ccccc2)cs1 6942427 ZFMSMHFNGFFGHA-LBPRGKRZSA-N 415.496 3.172 0 40 HGAB Cc1ccc(-n2nnnc2SCC(=O)NCCCN(C)c2ccccc2)cc1C 7105426 VMRJJKBNYOBALN-UHFFFAOYSA-N 410.547 3.014 0 40 HGAB CCOC(=O)c1oc2ccccc2c1COC(=O)CNC(=O)c1cccc(OC)c1 7426641 IIMJJGQWBUJWNQ-UHFFFAOYSA-N 411.410 3.091 0 40 HGAB Cc1ccccc1N(CC(=O)Nc1ccc(OC(F)(F)F)cc1)S(C)(=O)=O 7524072 ACQKKIFTAXQIAO-UHFFFAOYSA-N 402.394 3.298 0 40 HGAB O=C(CCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)N[C@@H]1CCCc2ccccc21 8281470 OFAOGMLVASSKRI-HXUWFJFHSA-N 413.481 3.235 0 40 HGAB O=C(Cn1c(=O)n(S(=O)(=O)c2ccccc2)c2ccccc21)c1ccc(F)cc1 8295456 ZNYWSHFTZMDOLD-UHFFFAOYSA-N 410.426 3.062 0 40 HGAB COc1ccc(-n2nnnc2SCc2cc3c(cc2Br)OCO3)cc1 8860718 VXWJLIFMSTZVGB-UHFFFAOYSA-N 421.276 3.454 0 40 HGAB CC(C)(C)C(=O)[C@@H]1[C@H]2C(=O)N=C(O)[C@@H]2[C@H]2C=Cc3cc(Br)ccc3N12 9061337 SQIIDXZKTKKGEG-KBXIAJHMSA-N 403.276 3.377 0 40 HGAB O=C(Nn1cnc2c(cnn2-c2ccc(F)cc2)c1=O)c1cccc(C(F)(F)F)c1 9562995 PYKZJMPLEJNRNN-UHFFFAOYSA-N 417.322 3.124 0 40 HGAB O=C(Nc1nnc(Cc2ccccc2)s1)[C@H]1CC(=O)N(CCc2ccc(F)cc2)C1 9698765 FALKKLFYXCEWRE-KRWDZBQOSA-N 424.501 3.298 0 40 HGAB Cc1ccc(Cl)cc1N([C@H](C)C(=O)Nc1ccc(C(=O)O)cc1)S(C)(=O)=O 10333549 IKHKNPWKVSWHGM-GFCCVEGCSA-N 410.879 3.140 0 40 HGAB CCOc1ccc(CNC(=O)[C@@H](C)N(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 10448757 VOIDQPPRCBVXMI-QGZVFWFLSA-N 404.532 3.173 0 40 HGAB COc1ccc(NC(C)=O)cc1NC(=O)Cc1n[nH]c(=S)n1Cc1ccccc1 11659088 BSIIPGBXXVUOLD-UHFFFAOYSA-N 411.487 3.137 0 40 HGAB O=C(CCn1nnc2ccccc21)N1CCC(c2[nH]ncc2-c2ccncc2)CC1 12115961 XWYXWWKKXKZJPS-UHFFFAOYSA-N 401.474 3.013 0 40 HGAB CN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1 12140074 LVZOSJLYWPJKKS-UHFFFAOYSA-N 424.478 3.488 0 40 HGAB COCc1ccc(C(=O)N2CCC[C@H](c3nc4ccccc4cc3C(N)=O)C2)cc1 12255952 JUXVKLOCWIMNCF-IBGZPJMESA-N 403.482 3.500 0 40 HGAB COc1ccc(NC(=O)CCNC(=O)N2CCc3c([nH]c4ccccc34)C2)c(OC)c1 12297050 UIRFPLKCTHUBNV-UHFFFAOYSA-N 422.485 3.282 0 40 HGAB biogenic CCn1cc(S(=O)(=O)NCC[C@@]2(c3ccccc3OC)CCOC(C)(C)C2)cn1 12362153 MBOKYCMFHAMLPA-OAQYLSRUSA-N 421.563 3.107 0 40 HGAB O=C(NCc1cn2ccccc2n1)c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 12541458 JIFZIDAQPMYHJT-UHFFFAOYSA-N 424.457 3.204 0 40 HGAB C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(C(=O)Oc3ccc4c(c3)OCO4)c2)C1 12598883 VDCGYDDOQOVRPN-GASCZTMLSA-N 417.483 3.301 0 40 HGAB O=S(=O)(Nc1ccc(N2CCCS2(=O)=O)cc1)c1c(Cl)cccc1Cl 12604520 JMHKRCUJEAUWJV-UHFFFAOYSA-N 421.327 3.334 0 40 HGAB CC(C)(C)NC(=O)CN1CCN(C(=O)c2cc3c(s2)-c2ccccc2CC3)CC1 12730496 UNABKCHCXNHBOL-UHFFFAOYSA-N 411.571 3.186 0 40 HGAB Cc1ccc(C)c(OCCC(=O)N2CCN(CC(=O)Nc3c(C)cccc3C)CC2)c1 12803151 KUCYAKIOPQYGOR-UHFFFAOYSA-N 423.557 3.472 0 40 HGAB Cc1nn(-c2ccccc2)c(C)c1CNC(=O)[C@H]1CCCN(C(=O)c2ccco2)C1 12882556 SAPSHUFYMOVRJU-SFHVURJKSA-N 406.486 3.251 0 40 HGAB COCCn1c(SCC(=O)NCCc2ccc(F)cc2)nnc1-c1ccccc1 12885130 DYURKPCOGJYDJP-UHFFFAOYSA-N 414.506 3.182 0 40 HGAB COc1ccccc1C(=O)Nc1cccc(OCc2cc(=O)n3nc(C)sc3n2)c1 13367882 AWPRBMVCFRVDJK-UHFFFAOYSA-N 422.466 3.299 0 40 HGAB Cc1cc(C)cc(OCC(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)c1 14246265 HXVKTEOOWYGBOU-UHFFFAOYSA-N 410.470 3.288 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCC[C@H]2CC(=O)NCc2cccs2)cc1 15391123 ZNUUMPYWEMNBEW-HNNXBMFYSA-N 408.545 3.006 0 40 HGAB O=C(CCN1C(=O)c2ccc(Br)cc2C1=O)N[C@H]1CCc2ccccc21 16472275 WNAHGHIEMAQFHU-KRWDZBQOSA-N 413.271 3.239 0 40 HGAB COC(=O)C1=C(C)N(c2ccc3c(c2)OCO3)C(=O)N[C@@H]1c1ccc(F)cc1F 16517564 AFROJBFYWCUMNL-GOSISDBHSA-N 402.353 3.411 0 40 HGAB Cc1[nH]c2ccccc2c1C(=O)COC(=O)CCNC(=O)CCC(=O)c1ccccc1 16695668 KVXYTHSICYEXGW-UHFFFAOYSA-N 420.465 3.372 0 40 HGAB C[C@H]1C[C@@H]1C(=O)N1CCCC[C@@H]1c1nc(=O)c2c([nH]1)CN(Cc1cccs1)CC2 19463385 KGTBTABUXNEZMY-UCLAIMLFSA-N 412.559 3.099 0 40 HGAB C[C@H](OC(=O)C1CCN(C(=O)c2ccco2)CC1)C(=O)N[C@@H]1CCCc2ccccc21 19483098 KLSQZCDJAIKHFJ-OXJNMPFZSA-N 424.497 3.257 0 40 HGAB C[C@@H]1CCCN(CCC(=O)N2C[C@@H](c3ccc(F)c(F)c3)[C@@]3(CCCC(=O)N3)C2)C1 19496558 VKRCUIRKCUECQX-WLENULPWSA-N 419.516 3.052 0 40 HGAB CN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1cc(Cl)c2c(c1)OCO2 19599711 WENGXURJHKMAQA-UHFFFAOYSA-N 400.740 3.197 0 40 HGAB Cc1ccc([C@H](NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)c2ccccc2)cc1 20039435 RMAJXEJIMAPQAP-JOCHJYFZSA-N 420.490 3.045 0 40 HGAB CC(C)Oc1ccc(CNC(=O)CCCN(c2ccc(F)cc2)S(C)(=O)=O)cc1 20107963 FIUJBXOJBBMKNZ-UHFFFAOYSA-N 422.522 3.476 0 40 HGAB O=S(=O)(c1ccc(Cl)cc1)N1CCN(c2ncccc2C(F)(F)F)CC1 20405018 GGTXCUVLRKFBHT-UHFFFAOYSA-N 405.829 3.265 0 40 HGAB COc1ccc(N2C(=O)/C(=C\NC[C@H]3CCCO3)c3ccccc3C2=O)cc1OC 20815678 JJLLPLGAFNZXBM-BAACNHRGSA-N 408.454 3.000 0 40 HGAB CCc1nnc(NC(=O)Cc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)s1 21288968 JNUXBPOVZGWWNK-UHFFFAOYSA-N 420.491 3.222 0 40 HGAB Cc1nc(CC(=O)Nc2cccc(S(=O)(=O)N(C)c3ccccc3)c2)cs1 21359899 PFCOAEKQVJKOFX-UHFFFAOYSA-N 401.513 3.458 0 40 HGAB COc1ccc(-c2nnc(SCC(=O)Nc3c(C)cccc3C)n2N)c(OC)c1 21576043 NJCYEKDYSDHARZ-UHFFFAOYSA-N 413.503 3.024 0 40 HGAB Cc1nn(-c2ccccc2)nc1C(=O)N(CC(=O)Nc1ccccc1)Cc1ccco1 21711901 CMBYXVQGWCFYFX-UHFFFAOYSA-N 415.453 3.450 0 40 HGAB Cc1cc(S(=O)(=O)NCC(C)C)ccc1OCC(=O)N[C@@H](C)c1ccc(F)cc1 22537171 MESAGHDMBQAYCC-INIZCTEOSA-N 422.522 3.325 0 40 HGAB C/C=C/c1ccc(OC[C@H](O)CN2CCN(c3ccccc3F)CC2)c(OC)c1 23115561 AQMOEIIUHGUZAU-MTGFJVSHSA-N 400.494 3.429 0 40 HGAB NC(=O)c1ccc(NC(=O)[C@H]2CCCN(c3ccc(-c4ccc(F)cc4)nn3)C2)cc1 23142819 WUXWXWBPESKNAZ-KRWDZBQOSA-N 419.460 3.237 0 40 HGAB CCCC1(CCC)NC(=O)N(CC(=O)NCCSc2ccc(Cl)cc2)C1=O 23642346 QLVBTJAONOPAMI-UHFFFAOYSA-N 411.955 3.439 0 40 HGAB NC(=O)[C@H](Sc1nc(O)c2cnn(-c3cccc(Cl)c3)c2n1)c1ccccc1 26430584 HLFIQRAWHWYWPD-OAHLLOKOSA-N 411.874 3.493 0 40 HGAB CC(=O)N1CCc2cc(NC(=O)c3nn(-c4ccc(Cl)cc4)c(C)cc3=O)ccc21 26901772 NGQUDTVAQIEWBU-UHFFFAOYSA-N 422.872 3.356 0 40 HGAB COc1ccc(CN(C(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)[C@H]2CCS(=O)(=O)C2)cc1 28251012 GCPAZEFEFVJBNE-SXLOBPIMSA-N 405.560 3.449 0 40 HGAB COc1ccc(C(=O)N(C)Cc2ccc([C@@H]3C[C@@H]3C)o2)cc1S(=O)(=O)NC(C)C 29885161 YRLBZYUWXYUWMI-WMLDXEAASA-N 420.531 3.371 0 40 HGAB C[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N1CCN(C)C[C@@H]1c1ccccc1 30029707 POGNYJALLLGSEA-OZSDXALVSA-N 409.574 3.223 0 40 HGAB COc1ccc([C@@H](NC(=O)CCc2nnc(-c3ccsc3)o2)c2nccn2C)cc1 30973091 ZQDCGLNNVCJRPV-LJQANCHMSA-N 423.498 3.379 0 40 HGAB CCS(=O)(=O)N1CCC(C(=O)NCc2cccc(Oc3ccccc3)c2)CC1 32362343 HNHOPVMFGSMLHN-UHFFFAOYSA-N 402.516 3.157 0 40 HGAB Cc1nn(-c2ccccc2)c(C)c1COC(=O)Cc1csc(N2CCCC2=O)n1 32744564 FLBRINQBUAEVEY-UHFFFAOYSA-N 410.499 3.358 0 40 HGAB CCOc1ccc(C(=O)CCC(=O)NCc2nnc3ccc(C(F)(F)F)cn23)cc1 32842999 QEFOVMTZTSIGCU-UHFFFAOYSA-N 420.391 3.426 0 40 HGAB Cc1ccc(CN(CCc2ccccc2)S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)s1 32895700 MONWDMCOIPLJGM-CALCHBBNSA-N 408.589 3.455 0 40 HGAB C[C@@H](Sc1ccc(C(=O)N2CCCC2)cn1)C(=O)N1CCN(c2ccccc2)CC1 32907209 PGRJKAKTPJTDRE-GOSISDBHSA-N 424.570 3.147 0 40 HGAB COc1ccc(N2CN(Cc3ccc4c(c3)OCO4)Cn3c2nc(C)c(C)c3=O)cc1 35572511 NGZWFKFOADRVEB-UHFFFAOYSA-N 420.469 3.166 0 40 HGAB COc1ccc(Cc2nnc(NC(=O)[C@@H]3CC(=O)N(C)[C@H]3c3ccccc3)s2)cc1 40268915 PSWZRQGUYVEBAF-XLIONFOSSA-N 422.510 3.296 0 40 HGAB Cc1cc(C)cc(OC[C@@H](O)CN2CCC(NC(=O)c3ccc(F)cc3)CC2)c1 45822013 RPHPMMQMCWUPMM-NRFANRHFSA-N 400.494 3.077 0 40 HGAB O=C(Cn1cccc(-c2nc(-c3ccc(F)cc3)no2)c1=O)NCc1ccccc1 49002479 KOQSIJKUVRNWSH-UHFFFAOYSA-N 404.401 3.021 0 40 HGAB COc1cccc(NC(=O)CN(C)C(=O)CNC(c2ccccc2)c2ccccc2)c1 57854327 KLAKZXKQWPVILU-UHFFFAOYSA-N 417.509 3.471 0 40 HGAB CCN1CCN(c2ccc(NC(=O)N(C)Cc3ccc(C(=O)NC)cc3)cc2C)CC1 57861446 JTKJASUGGPPTNN-UHFFFAOYSA-N 423.561 3.160 0 40 HGAB COc1cc(NC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2C(C)C)cc(OC)c1 67236015 QAUHMOJIJGEWHW-UHFFFAOYSA-N 416.503 3.362 0 40 HGAB CC(C)NC(=O)N1CCCCC[C@H]1C1CCN(Cc2ccc(C(N)=O)cc2)CC1 69815844 PBSPASNKZASZGX-NRFANRHFSA-N 400.567 3.360 0 40 HGAB COc1cccc(-c2noc(NC3CCN(CC(=O)Nc4ccccc4)CC3)n2)c1 72301800 DKBPKEOCKQGKDU-UHFFFAOYSA-N 407.474 3.260 0 40 HGAB Cc1cc(Oc2ccc(NS(=O)(=O)c3cc(C(=O)O)cc4c3CCC4)cc2)n[nH]1 79103102 OLSRJULOEVXYKL-UHFFFAOYSA-N 413.455 3.498 0 40 HGAB CC(C)n1ncc2c(-c3cccc(Cl)c3)c3sc(=O)n(CC(N)=O)c3nc21 79480173 UEDSIXQVGFEDCW-UHFFFAOYSA-N 401.879 3.194 0 40 HGAB NC(=O)[C@@H]1CCCN1C1CCN(Cc2cc(Br)ccc2Cl)CC1 89768233 HGLHRJRYZNSWIB-INIZCTEOSA-N 400.748 3.017 0 40 HGAB Cc1nn(C)c(C)c1S(=O)(=O)Nc1ccc2c(c1)CCCN2C(=O)c1ccccc1 96025631 IMFHOBBPACOMND-UHFFFAOYSA-N 424.526 3.431 0 40 HGAB CC(=O)N[C@@H]1CC2(CCN(C(=O)Cc3ccc(N(C)C)cc3)CC2)Oc2ccccc21 96156914 JUUBSSRQPHAHMC-JOCHJYFZSA-N 421.541 3.316 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cnn(C(F)F)c2)c1 96999877 ZRQSEQOHPOYBRD-UHFFFAOYSA-N 406.842 3.214 0 40 HGAB Cc1ccc(N2C(=O)[C@H]3C(c4ccc(F)cc4)=NO[C@H]3C2=O)c(Br)c1 101359126 JFBRZAOPWSNAJU-GOEBONIOSA-N 403.207 3.189 0 40 HGAB CC(C)Cn1c(SCC(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)nc2ncccc2c1=O 109003045 HLXMVEOMXPHCIT-CVYDXHPNSA-N 414.575 3.481 0 40 HGAB CS(=O)(=O)N(CCCC(=O)Nc1ccc(F)c(F)c1)c1ccc(F)c(F)c1 113965875 LGYHSSKXCDUXML-UHFFFAOYSA-N 404.385 3.428 0 40 HGAB O=C(c1cnn(-c2ccccc2)n1)N1CCC[C@H](Cc2nc(-c3ccsc3)no2)C1 220891112 RSJUQLHTIFSEKA-OAHLLOKOSA-N 420.498 3.474 0 40 HGAB CCOC(=O)c1ccc(C)c(NC(=O)c2cccc(N3CCCCS3(=O)=O)c2)c1 222558080 VESHPCFPLVWAQI-UHFFFAOYSA-N 416.499 3.354 0 40 HGAB COc1cccc(N(CCCC(=O)N2CCCc3ccccc32)S(C)(=O)=O)c1 222593971 MCKDWTOTLVHPGI-UHFFFAOYSA-N 402.516 3.221 0 40 HGAB COCCn1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCN(C)C)c1C 223222834 CWQPCVQWJQXCKH-LEWJYISDSA-N 415.607 3.071 0 40 HGAB COc1ccc(NS(=O)(=O)c2cc3oc(=O)n(C)c3cc2Cl)c2cccnc12 223349435 YIWOZQKHAUZCQA-UHFFFAOYSA-N 419.846 3.143 0 40 HGAB CSc1cccc(N(CC(=O)NC(C)(C)Cc2ccccc2)S(C)(=O)=O)c1 224341198 DANKELZFGQSJAP-UHFFFAOYSA-N 406.573 3.312 0 40 HGAB CC(C)CNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)COc1ccc(F)cc1 224514424 XZEOQDGUWSOBCV-GOSISDBHSA-N 400.494 3.437 0 40 HGAB CCc1ccc(N(CCCC(=O)NCCOCc2ccccc2)S(C)(=O)=O)cc1 224747332 FNKSGSANIDMNLO-UHFFFAOYSA-N 418.559 3.128 0 40 HGAB O=C(c1ccc(O[C@@H]2CCOC2)nc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 225709616 MLSXUZRMCYIWDD-GOSISDBHSA-N 421.419 3.231 0 40 HGAB Cc1nc(N2CCC(NC(=O)Cc3noc4ccccc34)CC2)cc(C(F)(F)F)n1 225725140 GRANRASUMXUQTN-UHFFFAOYSA-N 419.407 3.273 0 40 HGAB C[C@@H](CCC(=O)O)[C@@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3C[C@H](O)[C@]12C 252479567 BHQCQFFYRZLCQQ-HVKHEOPSSA-N 408.579 3.449 0 40 HGAB Cc1nccn1-c1cccc([C@H]2CCCN2C(=O)c2ccccc2OCCN(C)C)n1 257249157 JHAKNGWPGAMZAV-OAQYLSRUSA-N 419.529 3.493 0 40 HGAB COc1cccc(CNC(=O)[C@@H]2C[C@H]3CC[C@H]2C[C@@]32NC(=O)c3ccccc3N2)c1 257253199 JXXRWKOEMMKPSW-AQWIKTBWSA-N 405.498 3.299 0 40 HGAB COc1ccc2c(c1)C=C(CN1CCO[C@H](c3cccc(-c4cncnc4)n3)C1)CO2 257315145 VABNIUBKFIMTMH-DEOSSOPVSA-N 416.481 3.397 0 40 HGAB O=C(NCC1CCCCC1)C1CCN(C2=NO[C@@H]3CN(Cc4ccccc4)C[C@@H]23)CC1 306125827 DDDYMHSPRXAZRJ-DHIUTWEWSA-N 424.589 3.239 0 40 HGAB COc1ncccc1CN1CCN(C)[C@H](c2cn3c(-c4ccncc4)cccc3n2)C1 306129199 HXHYXCIZJLGZMO-QFIPXVFZSA-N 414.513 3.289 0 40 HGAB CC(C)n1cc(CN2C[C@H]3c4cc(-c5cccnc5)ccc4S(=O)(=O)[C@H]3C2)cn1 306131181 JYFAAZOPCFRDAU-UNMCSNQZSA-N 408.527 3.281 0 40 HGAB CCn1cc(CN2C[C@@H]3c4cc(-c5ccc(F)cc5)ccc4S(=O)(=O)[C@@H]3C2)cn1 306140391 USEGVXDPURBOES-IFMALSPDSA-N 411.502 3.464 0 40 HGAB CCCNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(OC)c(Cl)c1 408583972 KYPVSLPUBFZZIN-UHFFFAOYSA-N 410.923 3.066 0 40 HGAB CCn1c(SCC(=O)N[C@H]2C[C@H]3CC[C@H]2C3)nnc1-c1ccc(NC(C)=O)cc1 408637626 LZHJBYYXZHRTPB-ZVZYQTTQSA-N 413.547 3.320 0 40 HGAB O=C(COC(=O)[C@H]1[C@H]2C(=O)O[C@H]3C[C@H]1C[C@@H]32)Nc1ccc(Oc2ccccc2)cc1 408645565 ACFDMYMSKKOQBJ-RXNNYVOMSA-N 407.422 3.158 0 40 HGAB CS(=O)(=O)N(CC(=O)NCCSC1CCCCC1)c1cccc(Cl)c1 409027504 JESCRPBORYXDTH-UHFFFAOYSA-N 404.985 3.288 0 40 HGAB CC1(C)Cc2cccc(OCC(=O)N3CCC[C@@H](Oc4ncc(Cl)cn4)C3)c2O1 575613789 UFIHNBHTAKFVSR-MRXNPFEDSA-N 417.893 3.292 0 40 HGAB COc1ccc(S(=O)(=O)N2Cc3ccccc3[C@H](c3cnn(C)c3)C2)cc1Cl 575618084 DRVYWENWQRDLMQ-SFHVURJKSA-N 417.918 3.419 0 40 HGAB O=C(CN1C(=O)CC[C@]12CCCN(Cc1ccc3c(c1)CCC3)CC2)N1CCCC1 585100763 VSNGHWDNTFUBME-VWLOTQADSA-N 409.574 3.145 0 40 HGAB O=C(Nc1ccccc1)c1nnc2n1CC[C@@]1(CC2)CCN(C(=O)c2ccsc2)C1 585106917 LGQHNSPQWDMHAO-JOCHJYFZSA-N 421.526 3.461 0 40 HGAB C[C@H]1CN(C(=O)c2c[nH]nc2C2CCC(CNC(=O)c3ccccc3)CC2)C[C@@H](C)O1 2037834413 BGWBLXPSAFQIPZ-LPOKXYRGSA-N 424.545 3.363 0 40 HGAB Cc1ccccc1-n1c(S)nc(O)c([C@H]2NCCc3c2[nH]c2ccccc32)c1=O 1850076 URJSDWPFBDPTKH-LJQANCHMSA-N 404.495 3.252 0 40 HGAB biogenic CC(C)C[C@@H](C(=O)OCC(=O)Nc1ccccc1F)N1C(=O)c2ccccc2C1=O 1916956 PHSSYXUQIVGPSL-SFHVURJKSA-N 412.417 3.018 0 40 HGAB CSCC[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)N[C@H](C)c1ccccc1 3334066 KLNVVBSXKMPMQB-RHSMWYFYSA-N 410.536 3.103 0 40 HGAB COC[C@H](C)n1c(SCC(=O)NCC2CCCCC2)nc2ccccc2c1=O 3403366 YSJRIAXONNZFQS-HNNXBMFYSA-N 403.548 3.393 0 40 HGAB CN(C(=O)COC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1)c1ccccc1 3482451 YVJZSJRFUVDGTJ-UHFFFAOYSA-N 414.417 3.307 0 40 HGAB CCOC(=O)c1ccccc1NS(=O)(=O)c1ccc(OC)c(Br)c1 3581370 VZSUJSIFEZYEBD-UHFFFAOYSA-N 414.277 3.435 0 40 HGAB CC(C)(C)CC(=O)N1C[C@@H]2C[C@H](C1)c1ccc(NC(=O)c3ccccc3)c(=O)n1C2 4236316 RMPJGHWIQLTLHZ-FUHWJXTLSA-N 407.514 3.483 0 40 HGAB biogenic,in-vitro Cc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)CCC3=O)c2)cc1Cl 4352347 HQCVGPNZMAFYFE-UHFFFAOYSA-N 400.818 3.097 0 40 HGAB CCCn1c(C)cn2c3c(=O)n(Cc4cccc5ccccc45)c(=O)n(C)c3nc12 4386398 KRGGWKDPGCKXSS-UHFFFAOYSA-N 401.470 3.069 0 40 HGAB COc1cc2nc(NC(=O)CCS(=O)(=O)c3ccccc3)sc2cc1OC 4479924 YDKJFLDSBHMQLA-UHFFFAOYSA-N 406.485 3.116 0 40 HGAB O=C1OCC2=C1[C@@H](c1ccc(O)cc1)CC(=O)N2c1ccc(Br)cc1 4519950 NPPPTPACHJIVHE-OAHLLOKOSA-N 400.228 3.486 0 40 HGAB Cc1cc(C)cc(NC(=O)CN(C)S(=O)(=O)c2ccc(Br)cc2)c1 4550616 XOSQFUIZDVOWBJ-UHFFFAOYSA-N 411.321 3.325 0 40 HGAB CCOC(=O)C1CCN(C(=O)CCC(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)CC1 4696096 HCBAURWCWBZVNY-NXTQRVMMSA-N 418.578 3.289 0 40 HGAB COc1ccc(NC(=O)CSc2nnc(-c3cccc(F)c3)n2C)c(OC)c1 4736287 RJCHTISYTPJSEE-UHFFFAOYSA-N 402.451 3.369 0 40 HGAB Cc1cccc(NC(=O)CSc2ccc(S(=O)(=O)N3CCCC3)cn2)c1C 5703909 QLANRTRBCBNQFD-UHFFFAOYSA-N 405.545 3.214 0 40 HGAB CCNC(=O)NC(=O)[C@H](Sc1nnc(Cc2csc(C)n2)o1)c1ccccc1 5834955 IUYUDIDWNXIHTG-OAHLLOKOSA-N 417.516 3.104 0 40 HGAB Cc1cc(C)c(S(=O)(=O)N(CCc2ccccc2)CC(=O)NC2CC2)c(C)c1 6456206 JGKCKWTTYBKUER-UHFFFAOYSA-N 400.544 3.124 0 40 HGAB CN(C)[C@@H](CNC(=O)c1oc2ccccc2c1CSc1nnc[nH]1)c1ccco1 6497302 AVFUIHYAOQWGBP-HNNXBMFYSA-N 411.487 3.469 0 40 HGAB COc1cc(CCC(=O)OCC(=O)N2CCCc3ccccc32)cc(OC)c1OC 6548986 PLHUKKPCPRNIMT-UHFFFAOYSA-N 413.470 3.168 0 40 HGAB O=C(COC(=O)c1ccc(Oc2ccccc2)cc1)Nc1ccc2[nH]c(=O)[nH]c2c1 6590632 DORGERCGSNXZPK-UHFFFAOYSA-N 403.394 3.444 0 40 HGAB CC(C)Oc1ccc(C(=O)N(Cc2cccc(F)c2)[C@H]2CCS(=O)(=O)C2)cc1 6810983 SDDOKFMWFSSVDX-IBGZPJMESA-N 405.491 3.442 0 40 HGAB COc1ccc(CN(C)C(=O)CN(c2cccc(Cl)c2C)S(C)(=O)=O)cc1 7871815 FNDMUABHRMFPOT-UHFFFAOYSA-N 410.923 3.082 0 40 HGAB Cc1csc(=O)n1CC(=O)OCC(=O)Nc1c(Cl)cccc1C(F)(F)F 7975233 NSMPUJWAAPNHHX-UHFFFAOYSA-N 408.785 3.072 0 40 HGAB COc1ccc(Cl)cc1NC(=O)CN(C)CC(=O)N[C@@H](C)CCc1ccccc1 8092895 QJYUHXGPWUWHBQ-INIZCTEOSA-N 417.937 3.356 0 40 HGAB COc1ccc2[nH]c3c(c2c1)CCN1C(=O)CN(Cc2cccc(Cl)c2)C(=O)[C@]31C 8918462 XZTPXMUCHBDBCT-QHCPKHFHSA-N 423.900 3.472 0 40 HGAB biogenic Cc1ccc(NC(=O)CSc2nnc(CNC(=O)c3ccco3)n2C)cc1Cl 9305377 HXIMXBPRIXGZHQ-UHFFFAOYSA-N 419.894 3.031 0 40 HGAB O=C(CSc1nc2nccnc2c(=O)n1Cc1ccc(F)cc1)Nc1ccccc1 9405342 GGVTYDFIJDYUTR-UHFFFAOYSA-N 421.457 3.105 0 40 HGAB Cc1ccc(Nc2nc(N3CCN(c4ncccn4)CC3)nc3c2C(=O)CCC3)cc1 9423520 LDTUGPYWGVLAQM-UHFFFAOYSA-N 415.501 3.164 0 40 HGAB Cc1cccc(C)c1NC(=O)[C@H](C)NS(=O)(=O)c1ccc(Br)cc1 10041430 BHVPGMHCVVYZNS-ZDUSSCGKSA-N 411.321 3.371 0 40 HGAB CC[C@@H](C)[C@H](NC(=O)[C@@H](C)Oc1ccc2c3c(c(=O)oc2c1)CCCC3)C(=O)O 11866830 MGHCIGMRLGCRMV-VPZZIHKRSA-N 401.459 3.055 0 40 HGAB CC(C)Oc1ccc(NC(=O)c2cccc(N3C(=O)C(C)(C)CS3(=O)=O)c2)cc1 12005866 ZLFNHQBDOZJNIU-UHFFFAOYSA-N 416.499 3.429 0 40 HGAB O=C(N1CCc2nc(N3CCCC3)[nH]c(=O)c2C1)C1(c2ccc(Cl)cc2)CCC1 12144581 BYVAVNQTLZBHKY-UHFFFAOYSA-N 412.921 3.030 0 40 HGAB CCCS(=O)(=O)N1CCCc2cc(NS(=O)(=O)Cc3ccc(C)cc3)ccc21 12180469 HZCWEEJSWTYAFC-UHFFFAOYSA-N 422.572 3.429 0 40 HGAB CC(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCCN3C(=O)Cn3cccn3)cc2N1 12181283 ORWNAMZFXYUVAB-CWRNSKLLSA-N 410.444 3.387 0 40 HGAB CCCNS(=O)(=O)c1ccc(NS(=O)(=O)c2cccc3cc(C)cnc23)cc1 12525905 ZQKSPFDKDCJYIO-UHFFFAOYSA-N 419.528 3.032 0 40 HGAB NC(=O)[C@H]1CN(CCOc2ccc(Cl)cc2Br)c2ccccc2O1 12636894 ZODQZCKQKWLXRG-MRXNPFEDSA-N 411.683 3.234 0 40 HGAB C[C@H](NC(=O)CSc1nnc([C@H]2COc3ccccc3O2)n1C)c1ccccc1 12772986 QDZFCDJNKJNCJC-KBXCAEBGSA-N 410.499 3.297 0 40 HGAB Cc1nc2sc(C(=O)O[C@H](C)C(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)c(C)c2c(=O)[nH]1 12782459 PIIVBFTXKBFOLH-BGOOENEXSA-N 405.520 3.088 0 40 HGAB CCCn1c(=O)n(C[C@@H](O)COc2ccc(Br)cc2)c2ccccc21 12816640 AEGRENDWQHRFDL-OAHLLOKOSA-N 405.292 3.415 0 40 HGAB COc1ccc(NC(=O)c2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)cc1Cl 12820691 ZHGAPKNWHCABCZ-OAHLLOKOSA-N 424.906 3.058 0 40 HGAB CCOC(=O)c1ccsc1NC(=O)CN1CCC[C@@H]1c1ccc2c(c1)OCCO2 12824997 MJVMARJWLGGASO-MRXNPFEDSA-N 416.499 3.472 0 40 HGAB CCN(CC)Cc1ccc(CNC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)cc1 12844913 SFIBMQSVJOTCSF-UHFFFAOYSA-N 410.486 3.455 0 40 HGAB Cc1cccc(-c2nnc(S)n2CC(=O)NC[C@H](c2cccc(F)c2)N(C)C)c1 12920857 VTGQVEDDACNYHK-GOSISDBHSA-N 413.522 3.100 0 40 HGAB Cc1cc(C)c(NC(=O)CNC(=O)[C@@H]2CC(=O)N([C@H](C)c3ccccc3)C2)c(C)c1 12945643 TVBLNXSUHKFQCM-UYAOXDASSA-N 407.514 3.276 0 40 HGAB CC[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)N(c1ccc(C)c(C)c1)S(C)(=O)=O 13716498 YNZFPLNCMNLYFO-SFHVURJKSA-N 418.515 3.258 0 40 HGAB CCCOc1ccc(C(=O)N[C@H](C)c2cccc(S(N)(=O)=O)c2)cc1OCC 14250241 WBBRGVUAKGNRJS-CQSZACIVSA-N 406.504 3.013 0 40 HGAB CN(C)[C@@H](CNC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)c1cccc(F)c1 14252637 IRAIFQMCNSUAFQ-NRFANRHFSA-N 415.484 3.236 0 40 HGAB O=C(NCCC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccco1 15344437 WWNJDWGXHGESPJ-UHFFFAOYSA-N 417.509 3.333 0 40 HGAB CN(CC(=O)N(C)Cc1ccc(Cl)s1)Cc1ccccc1N1CCOCC1 16425159 JOPJCGXNUCAJDT-UHFFFAOYSA-N 407.967 3.329 0 40 HGAB CCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)C(C)(C)C)cc2Cl)CC1 17088738 YUOGVEIVOUGKTJ-UHFFFAOYSA-N 410.971 3.258 0 40 HGAB CCOC(=O)c1c(NC(=S)NC(=O)c2cccs2)sc(C(=O)OC)c1C 17089233 VYHKEBZLLPJRQZ-UHFFFAOYSA-N 412.514 3.208 0 40 HGAB Cc1ccc(C)c(NC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)cc2)c1 17836253 GIDLCFZMDXATJT-CALCHBBNSA-N 402.516 3.354 0 40 HGAB COc1cc(NC(=O)CCCN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c(OC)cc1Cl 18149097 MSRRYBIYCVHKDJ-STQMWFEESA-N 406.866 3.027 0 40 HGAB CN1CCC(N(C[C@H]2CCCO2)C(=O)c2n[nH]c3c2C[C@H](C(C)(C)C)CC3)CC1 19082374 FSYYZQNTUZPECY-SJLPKXTDSA-N 402.583 3.276 0 40 HGAB Cc1ccc(Cc2cc(C)nc(C3CCN(C(=O)CCn4cnnn4)CC3)c2)cc1 19691564 HEJSRDOKIPYMMF-UHFFFAOYSA-N 404.518 3.072 0 40 HGAB CCc1cc2c(=O)n(CC(=O)Nc3ncc(-c4ccc(F)cc4)n3C)cnc2s1 19714823 IPPGORBTCAZWLT-UHFFFAOYSA-N 411.462 3.199 0 40 HGAB CCN(CC)Cc1ccc(NC(=O)c2ccc(N(C)S(=O)(=O)N(C)C)cc2)cc1 20244434 MNWUGRPQBZYZQH-UHFFFAOYSA-N 418.563 3.023 0 40 HGAB Cc1ccc(SCCNC(=O)c2ccc(CS(=O)(=O)N3CCCC3)cc2)cc1 20458401 NJVZHIDBHHQVKT-UHFFFAOYSA-N 418.584 3.443 0 40 HGAB COc1ccc(-c2nnc(SCC(=O)Nc3ccc(Cl)cc3)n2N)c(OC)c1 21576194 ROYREUBZZIPTFF-UHFFFAOYSA-N 419.894 3.060 0 40 HGAB CC(C)c1ccccc1OC[C@H](O)CN1CCN(Cc2ccc3c(c2)OCO3)CC1 22027090 YNCUVRNFXIVMQE-HXUWFJFHSA-N 412.530 3.096 0 40 HGAB COC(=O)c1sccc1S(=O)(=O)Nc1cccc(NC(=O)c2ccco2)c1 22411656 BXQGOLYLGBHTSB-UHFFFAOYSA-N 406.441 3.181 0 40 HGAB Cc1ccc(NC(=O)CN2CCN([C@@H](C)C(=O)Nc3cccc(Cl)c3)CC2)cc1 22799035 ZORJKPVXPCMGMZ-KRWDZBQOSA-N 414.937 3.232 0 40 HGAB C[C@H]1Cc2ccccc2N1C(=O)[C@@H](C)Sc1nc2ccccc2c(=O)n1CCCO 23885244 ZLBPIKKIJUBGQD-JKSUJKDBSA-N 423.538 3.237 0 40 HGAB CCCn1c(SCc2nc(C(C)(C)C)no2)nc2cc(S(N)(=O)=O)ccc21 24046701 LSTCMXXVJBTPLU-UHFFFAOYSA-N 409.537 3.067 0 40 HGAB Nc1nc(CN2CCN(C(=O)c3cccc(Cl)c3Cl)CC2)nc2ccccc12 24922902 XAWZKZQVCHTBDO-UHFFFAOYSA-N 416.312 3.477 0 40 HGAB CC1CCN(C[C@H](O)COCCOc2c(F)cc(Br)cc2F)CC1 27530945 XABQBRUVYASWIR-AWEZNQCLSA-N 408.283 3.216 0 40 HGAB CSc1cccc(N2C[C@H](C(=O)N[C@H](C)c3ccc(-n4cncn4)cc3)CC2=O)c1 28668727 CHJUCMRIVNMECP-NVXWUHKLSA-N 421.526 3.220 0 40 HGAB C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)c1ccc(Br)cc1F 29474112 AHYFNKBQEUIIOC-SNVBAGLBSA-N 415.284 3.069 0 40 HGAB CSc1nc(C)c(CCC(=O)Nc2ccc(N3CCN(C)CC3)cc2C)c(C)n1 32740841 XRBUEASACQRNSW-UHFFFAOYSA-N 413.591 3.447 0 40 HGAB Cc1cc(=O)c(C(=O)N[C@@H](CN(C)C)c2ccccc2)nn1-c1ccccc1Cl 32781294 WSHBSQRXMDDHNV-SFHVURJKSA-N 410.905 3.227 0 40 HGAB Cc1cc(C(=O)CSc2ncnc3ccsc23)c(C)n1[C@H]1CCS(=O)(=O)C1 32850651 PWEWLWAUTNGRAM-ZDUSSCGKSA-N 421.569 3.444 0 40 HGAB C[C@@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)N1CCN(C(=O)C2CC2)CC1 35286810 ZXRPUZGCWCKUED-SFHVURJKSA-N 407.514 3.147 0 40 HGAB O=C(NCc1ccc(F)cc1)c1ccc(S(=O)(=O)N(Cc2ccco2)C2CC2)o1 35597585 QACANAWXFHFNPL-UHFFFAOYSA-N 418.446 3.295 0 40 HGAB COc1cc(OC)c(NC(=O)CC[C@H]2NC(=O)c3ccccc3N=C2O)cc1Cl 36594851 SIAKGGFAGRJIAP-CQSZACIVSA-N 417.849 3.476 0 40 HGAB CCCCn1c(N)c(N(CCOc2ccccc2C)CCC(C)C)c(=O)[nH]c1=O 40050844 USUBVMFYTVCBEP-UHFFFAOYSA-N 402.539 3.159 0 40 HGAB C[C@@]1(c2cccc(NC(=O)CCCc3nc4ccccc4s3)c2)NC(=O)NC1=O 40111035 CBOFUIUNGBBFFF-NRFANRHFSA-N 408.483 3.312 0 40 HGAB O=C(CCNC(=O)Nc1ccc(Br)cc1)Nc1ccc2c(c1)OCCO2 40134459 BWWCXQULKOPUNV-UHFFFAOYSA-N 420.263 3.371 0 40 HGAB CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)Nc1ccc(Cn2ccccc2=O)cc1 40134831 VBABLGQTIRHIPH-QFIPXVFZSA-N 421.472 3.429 0 40 HGAB COC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(C)cc1 41157286 YNZIMCUIVOUNKM-LEWJYISDSA-N 410.514 3.040 0 40 HGAB O=C(CCc1ccccc1)NC1CCN(Cn2c(=O)oc3ccc(Cl)cc32)CC1 48288676 QFTAEGJOPYWTIY-UHFFFAOYSA-N 413.905 3.419 0 40 HGAB COc1cc(/C=C/C(=O)Oc2ccc(N3CC(=O)NC3=O)cc2)ccc1OC(C)C 48290493 PVACARFDFAIDCM-VZUCSPMQSA-N 410.426 3.157 0 40 HGAB CC(=O)NCCc1ccc(S(=O)(=O)NCc2ccc(Cl)cc2Cl)cc1 55948706 JWXQDOKERIZKHU-UHFFFAOYSA-N 401.315 3.151 0 40 HGAB COCCn1c(SCC(=O)Nc2c(C)cccc2C)nc2ccsc2c1=O 57425762 UPJVCDATKNWWTB-UHFFFAOYSA-N 403.529 3.452 0 40 HGAB O=C(COC(=O)c1ccccc1I)N[C@@H]1CCc2ccccc21 72330003 RYURYEXXYADJLU-MRXNPFEDSA-N 421.234 3.252 0 40 HGAB CCn1nc(C)c(NC(=O)CN2C(=O)N3CCCN=C3c3ccc(Cl)cc32)c1C 72335744 AHFNAXHFXYRJPD-UHFFFAOYSA-N 414.897 3.204 0 40 HGAB O=C(CN1CCC[C@H]1c1ccc2c(NCc3ccccc3)n[nH]c2n1)N1CCCC1 72374495 NGLOGTKKMYASEQ-FQEVSTJZSA-N 404.518 3.329 0 40 HGAB COc1ccc2[nH]c(C)c(-c3csc(NC(=O)[C@@H](C)N4CCOCC4)n3)c2c1 72390417 KIMHXTBTUVAICU-CYBMUJFWSA-N 400.504 3.268 0 40 HGAB O=C(NCc1ccccc1)c1cc(N2CCN(c3ccc(Cl)cn3)CC2)ccn1 79002429 BEACIJDRHPBWNZ-UHFFFAOYSA-N 407.905 3.387 0 40 HGAB O=C(Cn1ncc(Br)c1C1CC1)Nc1ccccc1N1CCCC1=O 89814137 QQYMKPWXOXXWGQ-UHFFFAOYSA-N 403.280 3.289 0 40 HGAB O=S(=O)(NCc1nc(-c2ccc(C(F)(F)F)cn2)no1)c1ccc(Cl)cc1 91694963 FNAYXZDIFMKLBX-UHFFFAOYSA-N 418.784 3.282 0 40 HGAB C[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C)CN1C(=O)c1cccc(N2CCOC2=O)c1 95459275 HSOHQRAESMJWDZ-LSDHHAIUSA-N 403.479 3.113 0 40 HGAB CCOc1ccc([C@H](N)c2n[nH]c(CCNc3cccc(OC)c3)n2)cc1OCC 95534552 DFBFGFIDTSQIPX-NRFANRHFSA-N 411.506 3.313 0 40 HGAB CN(CC(=O)Nc1ccccc1Cl)C(=O)CN[C@H]1CCCC[C@@H]1C(F)(F)F 95941232 SSZRIIYEEQRPCW-JSGCOSHPSA-N 405.848 3.448 0 40 HGAB CCCS(=O)(=O)N1CCC2(CC1)C[C@H](CC(=O)N(CC)CC)c1ccccc1O2 96243285 OBFPHWQYOJIUCH-SFHVURJKSA-N 422.591 3.386 0 40 HGAB Cc1cccc(C)c1NC(=O)CN1N=N[C@@H]2C(=O)N(c3ccc(C(C)C)cc3)C(=O)[C@H]21 101170570 PRWPHYKMELVVDO-SFTDATJTSA-N 419.485 3.359 0 40 HGAB CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)OC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)cc1 102445662 RHNVDIDQZIJJOC-LTIDMASMSA-N 422.547 3.070 0 40 HGAB COc1ccc(CCN2C[C@H](C(=O)N[C@@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)CC2=O)cc1OC 105762654 VZRNCUCRNDYAFF-XCZFOBESSA-N 414.546 3.036 0 40 HGAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)cc1 107858468 MHEYCAWDAQGYBJ-LLVKDONJSA-N 402.394 3.020 0 40 HGAB C[C@@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@H](O)C[C@@H]1C[C@H]3O 118912550 BHQCQFFYRZLCQQ-AEALUMOBSA-N 408.579 3.449 0 40 HGAB in-vitro,metabolite O=C(COc1ccc(I)cc1)NCCSCc1ccco1 219831903 NNRPRWKRQQTRFV-UHFFFAOYSA-N 417.268 3.313 0 40 HGAB COc1ccc(S(=O)(=O)NCc2ccc(OC)c(OC)c2OC)cc1C(C)C 223702757 UWPMHICFVWWERW-UHFFFAOYSA-N 409.504 3.323 0 40 HGAB COc1ccc(S(=O)(=O)N(C)c2ccc(I)cc2)cc1C 224641071 DFZGJEAIXFPWAY-UHFFFAOYSA-N 417.268 3.433 0 40 HGAB CCOC(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccc(SC)cc1 224983416 VPHKACKWXBQUDN-UHFFFAOYSA-N 409.529 3.484 0 40 HGAB CC(C)CSc1nnc(NS(=O)(=O)c2ccc3c(c2)sc(=O)n3C)s1 225685143 CJZWJIYFTPAYED-UHFFFAOYSA-N 416.575 3.000 0 40 HGAB C[C@H](NS(=O)(=O)c1nnc(NC(=O)c2ccccc2Cl)s1)c1ccccc1 225848105 ULDAKJXXNRFSSA-NSHDSACASA-N 422.919 3.483 0 40 HGAB CCOc1cccc(NS(=O)(=O)c2nnc(NC(=O)c3ccc(C)cc3)s2)c1 225852429 LZJQNFIBGOWGTD-UHFFFAOYSA-N 418.500 3.298 0 40 HGAB COc1ccc(CN2C[C@H]3[C@H](C2)n2cccc2C(=O)N3Cc2csc(C)n2)cc1 306125861 DDYOKNMRWGNHDQ-SFTDATJTSA-N 408.527 3.343 0 40 HGAB CC[C@H](Oc1ccccc1OC)C(=O)Nc1ccccc1C(=O)NCCCOC 408681198 PXCVJTJELBYNTJ-SFHVURJKSA-N 400.475 3.258 0 40 HGAB O=C(Cc1cc(Cl)cc2c1OCC2)N[C@@H](CO)c1cccc(Br)c1 541710176 YUHPSCOJBOXHBR-INIZCTEOSA-N 410.695 3.430 0 40 HGAB NS(=O)(=O)C[C@H]1CCCN(C(=O)c2ccc(-c3nc4ccccc4s3)s2)C1 553822875 UELAMPZCRAIDQI-LBPRGKRZSA-N 421.569 3.166 0 40 HGAB C[C@@H]1c2nc(C(=O)NCc3ccco3)cn2CCN1C(=O)c1cc2ccccc2[nH]1 585096561 SXPZHXQXWMZSMF-CQSZACIVSA-N 403.442 3.104 0 40 HGAB COc1cc(OC)cc(C(=O)N2CCC3(CC2)CO[C@H](CN2CCC[C@@H](C)C2)C3)c1 585104886 VVCICVFJPCKLQH-GCJKJVERSA-N 416.562 3.447 0 40 HGAB CCN1CCO[C@@H](CN[C@@H](C(=O)Nc2ccc(OC)c(Cl)c2)c2ccccc2)C1 602589767 FWQFIVXWFADHHN-GHTZIAJQSA-N 417.937 3.339 0 40 HGAB Cc1cn2nc(OCC3CCN(C(=O)c4ccc(C(F)(F)F)nc4)CC3)ccc2n1 1888885474 KZAZXVMBWCREFU-UHFFFAOYSA-N 419.407 3.383 0 40 HGAB CC(C)c1ccc(-n2nnnc2S[C@H](C(=O)N2CCOCC2)c2ccccc2)cc1 6850236 VMHCUAYRTUZLAS-FQEVSTJZSA-N 423.542 3.478 0 40 HGAB O=c1cccc2n1C[C@@H]1C[C@@H]2CN(C(=S)Nc2cccc(Br)c2)C1 100628888 LYYZVNZSUONOEC-CHWSQXEVSA-N 404.333 3.427 0 40 HGAB O=C(CSc1nnc(-c2cc(Br)ccc2O)[nH]1)Nc1ccccc1O 105942236 WFZLEMBQACLASI-UHFFFAOYSA-N 421.276 3.376 0 40 HGAB CCn1c(=O)c2ccccc2n2c(CSc3nnc(-c4cccs4)n3C)nnc12 29536167 ZYBYKNVHQPRKSI-UHFFFAOYSA-N 423.527 3.213 0 40 HGAB COC(=O)c1ccc(NC(=O)CCCC(=O)OCC(=O)Nc2ccccc2C)cc1 8417571 MXRUFSLHMDMUFP-UHFFFAOYSA-N 412.442 3.072 0 40 HGAB CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)c2ccc(N3C(=O)c4cncnc4C3=O)cc2)C1 102763516 LIGDLRMUSKXWJZ-QMHKHESXSA-N 404.470 3.318 0 40 HGAB NS(=O)(=O)c1cccc(NC(=O)CSc2nc(-c3ccc(F)cc3)cs2)c1 9127492 ZBXFBJYATPTTIZ-UHFFFAOYSA-N 423.516 3.327 0 40 HGAB CNS(=O)(=O)c1ccc(C(=O)N(Cc2cccs2)Cc2ccccc2OC)o1 33045101 BQJJEAGGXUYGTN-UHFFFAOYSA-N 420.512 3.100 0 40 HGAB CC1(C)CC(=O)c2c(nc(N3CCN(C=O)CC3)nc2Nc2ccc(Cl)cc2)C1 9937671 LBINPQBNRPEICL-UHFFFAOYSA-N 413.909 3.307 0 40 HGAB O=C(NCC(=O)N1CCN(Cc2c(F)cccc2Cl)CC1)c1cccc(Cl)c1 22069746 ZMKHRJQRTMIWCL-UHFFFAOYSA-N 424.303 3.207 0 40 HGAB CCOC(=O)C1CCN([C@@H](c2ccc(F)cc2)c2sc3ncnn3c2O)CC1 22609642 MDZGLNWHIMPXDE-HNNXBMFYSA-N 404.467 3.000 0 40 HGAB CCOc1ccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2cc(OC)ccc2C)cc1 22229917 AUHYGWYIAHOCGH-LJQANCHMSA-N 418.515 3.194 0 40 HGAB C[C@@H](C(=O)NC[C@H]1CCCO1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 22802934 PEJQQWSGFYYBAL-NZQKXSOJSA-N 407.558 3.077 0 40 HGAB COc1ccccc1CNC(=O)[C@@H](C)N1CCN(Cc2ccc(Cl)s2)CC1 22932457 SBKAVQFJUWUHIA-OAHLLOKOSA-N 407.967 3.233 0 40 HGAB O=S1(=O)c2ccccc2[C@H](O)[C@H](Cc2cccc3[nH]ccc23)N1Cc1ccncc1 12324393 HZAFWFNMXRZYHZ-GMAHTHKFSA-N 419.506 3.412 0 40 HGAB COc1ccc(CCNC(=O)CN2c3ccccc3-c3ccccc3S2(=O)=O)cc1 20063015 XYPWGXPOVBDURJ-UHFFFAOYSA-N 422.506 3.230 0 40 HGAB O=C(Cn1ncc2ccccc2c1=O)/N=c1\sccn1Cc1ccccc1Cl 24828781 ISOZUNIIRFKSBG-ATJXCDBQSA-N 410.886 3.089 0 40 HGAB CN(C)S(=O)(=O)c1ccc(NC(=O)CNc2cccc(Cl)c2Cl)cc1 25894919 BTEWWQNCXUHMQB-UHFFFAOYSA-N 402.303 3.294 0 40 HGAB O=C(Cn1cnc2c(cnn2-c2ccc(F)cc2)c1=O)Nc1cc(F)ccc1Cl 57486555 YRILTYKYPUVYBV-UHFFFAOYSA-N 415.787 3.153 0 40 HGAB Cc1cc(=O)oc2cc(OCc3ccc(C(=O)OCC(=O)NC(C)C)cc3)ccc12 3260269 RAPAWGCYTXLIIB-UHFFFAOYSA-N 409.438 3.362 0 40 HGAB CCc1ccc([C@@H]2c3c(-c4ccc(OC)cc4)nnc(O)c3Nc3nnnn32)cc1 10295446 LTUOONNTGJSVDL-LJQANCHMSA-N 401.430 3.101 0 40 HGAB CCN(c1ccccc1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 12756567 FWBHWOXPMYBFIE-UHFFFAOYSA-N 408.545 3.076 0 40 HGAB O=C(OCc1nc2ccccc2o1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 8527704 SWKTWAJSXRUTAP-UHFFFAOYSA-N 412.423 3.256 0 40 HGAB CN1CCN(C(=O)CNC(=O)Cc2cccc3ccccc23)[C@@H](c2ccccc2)C1 48300875 MLSOYWLGDOENTN-HSZRJFAPSA-N 401.510 3.014 0 40 HGAB O=C(CSc1nnnn1C1CC1)N1CCc2sccc2[C@@H]1c1cccs1 12849959 RGRJNWIVFAHHLH-MRXNPFEDSA-N 403.558 3.397 0 40 HGAB COc1ccc(CCNC(=O)[C@@H](C)[S@](=O)CCOc2cc(C)ccc2C)cc1 12857852 DGQAHHCLPHSYAO-WRHNGFHOSA-N 403.544 3.187 0 40 HGAB O=C(c1ccco1)N1CCC(NS(=O)(=O)c2c(Cl)cccc2Cl)CC1 12984414 RUBKVBBOKHJLIF-UHFFFAOYSA-N 403.287 3.170 0 40 HGAB NC(=O)c1ccc(NC(=O)CSCc2cc(Cl)c3c(c2)OCCCO3)cc1 7851071 OUCBKYXAVUCTHG-UHFFFAOYSA-N 406.891 3.472 0 40 HGAB CCCN(Cc1nnc(-c2ccco2)o1)C(=O)[C@@H]1CCCN1C(=O)c1cccs1 7979622 HCCJSANGZPOPAZ-AWEZNQCLSA-N 414.487 3.435 0 40 HGAB C[C@H]1CCc2ccccc2N1CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 7989767 MQHSPJXVVLDTAH-AWEZNQCLSA-N 421.950 3.370 0 40 HGAB CCn1c(SCC(=O)N2c3ccccc3NC(=O)C[C@H]2C)nnc1-c1ccco1 5168160 SGJOJOXZIUGPHR-CYBMUJFWSA-N 411.487 3.414 0 40 HGAB CCOc1ccc([C@@H](C)NC(=O)[C@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)cc1 20108821 DNRYZVSUZCLWFA-CABCVRRESA-N 408.495 3.256 0 40 HGAB O=S(=O)(c1cc(NCc2ccccc2C(F)(F)F)ccc1F)N1CCOCC1 14188065 WCYCZLFMCNCVJX-UHFFFAOYSA-N 418.412 3.478 0 40 HGAB NNc1nc2sc3c(c2c(=O)n1C1CCCCC1)CCN(C(=O)c1ccccc1)C3 4599740 KICRDBDYNBHZOS-UHFFFAOYSA-N 423.542 3.447 0 40 HGAB COc1ccc(OC)c(NC(=O)[C@H]2C[C@H](C(C)C)N[C@]23C(=O)Nc2ccc(C)cc23)c1 5484056 GDXJQZFJTRLPIA-YJLYGGOZSA-N 423.513 3.432 0 40 HGAB C[C@H]1C[C@H](C)CN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)C1 14239400 YVVTUDJVUHHLHA-IRXDYDNUSA-N 404.576 3.081 0 40 HGAB O=C(O)/C=C/c1ccc(S(=O)(=O)NCc2csc(-c3ccccc3)n2)cc1 14201944 TVTAPBXGDXPYMB-DHZHZOJOSA-N 400.481 3.386 0 40 HGAB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)c1cccc(N2C(=O)CCC2=O)c1 14200655 CVEGGPGDACADEM-UHFFFAOYSA-N 416.481 3.132 0 40 HGAB CN(C)S(=O)(=O)c1ccc(C(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)cc1 14349236 NYQSUFUNFOLFMP-UHFFFAOYSA-N 409.511 3.348 0 40 HGAB CC1=CC(=C2C(=O)NC(=S)NC2=O)C=C(C(F)(F)F)N1CCCc1ccccc1 16756478 SXFHQLSNJKGTFX-UHFFFAOYSA-N 421.444 3.112 0 40 HGAB CCOC(=O)c1c(C)[nH]c(C(=O)CN2c3cccc4cccc(c34)S2(=O)=O)c1C 4806886 UAWYJYMEFHNRNC-UHFFFAOYSA-N 412.467 3.353 0 40 HGAB COc1cc(-c2oc3c(O)c(OC)cc(OC)c3c(=O)c2OC)cc(OC)c1OC 15271731 VZZSHWGQMLXLPF-UHFFFAOYSA-N 418.398 3.217 0 40 HGAB biogenic,in-vitro O=C(CSc1nc(C2CC2)n(-c2ccccc2)n1)NC[C@H]1COc2ccccc2O1 9666870 WTVRNAOPRXNESC-KRWDZBQOSA-N 422.510 3.193 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc4[nH]ccc4c3)C2)cc1 9184423 SMFVQUCWEKCGMS-INIZCTEOSA-N 413.499 3.216 0 40 HGAB CCOc1ccc(-c2n[nH]c(=S)n2CCC(=O)N(CCC(=O)OC)C(C)C)cc1 72310174 CVXHDTGPZIKOGE-UHFFFAOYSA-N 420.535 3.197 0 40 HGAB C[C@H](OC[C@@H]1CCCCO1)C(=O)Nc1cc2c(cc1Br)OCCO2 95377659 HTFXSKYDGSLXEM-RYUDHWBXSA-N 400.269 3.133 0 40 HGAB COc1ccc(Cl)cc1S(=O)(=O)N(CC(=O)NC(C)C)Cc1ccccc1 408624980 UZKVWJCLRYUULY-UHFFFAOYSA-N 410.923 3.064 0 40 HGAB CC1=CC[C@@H]2C(=O)N(c3cccc(C(=O)Nc4ccc(C(=O)O)cc4)c3)C(=O)[C@@H]2C1 408684290 OQKFZJVGZYSRKJ-RBUKOAKNSA-N 404.422 3.483 0 40 HGAB COCCCN1C(=O)S/C(=C\c2cc3c(cc2Br)OCO3)C1=O 409235787 BPRNKRXAISPAIZ-MLPAPPSSSA-N 400.250 3.251 0 40 HGAB CCn1c(=O)n(CC)c2cc(NC(=O)CSc3ncn(-c4ccccc4)n3)ccc21 408542146 HBCKTYWWYAYLHX-UHFFFAOYSA-N 422.514 3.154 0 40 HGAB COc1ccc2cnn(CC(=O)Nc3cccc(C(F)(F)F)c3)c(=O)c2c1OC 32103929 NUKNHNKYDJIJNS-UHFFFAOYSA-N 407.348 3.071 0 40 HGAB COC[C@]1(C(N)=S)[C@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 217925744 YWMSUMHBLYVBPE-RYRKJORJSA-N 413.923 3.338 0 40 HGAB O=C(CN[C@@H](C1CC1)[C@]1(CO)CCCO1)N1c2ccccc2CCc2ccccc21 550503487 NZCZZPLCRYFAJX-LOSJGSFVSA-N 406.526 3.360 0 40 HGAB COc1ccc2nc(C[C@@H]3C[C@@H](C(C)C)[C@H](CNC(=O)CN(C)C)C=C3C)[nH]c2n1 72320898 XKADECPHJUWIAJ-BZSNNMDCSA-N 413.566 3.041 0 40 HGAB biogenic,in-vitro O=C(NC1CCN(c2ncc(-c3cnccn3)c(-c3ccco3)n2)CC1)C1CCCC1 72338661 PHVPKNVUSCZGIT-UHFFFAOYSA-N 418.501 3.469 0 40 HGAB COC(=O)c1ccc(NC(=O)c2c(C)oc3ncn(Cc4ccccc4)c(=O)c23)cc1 35672023 NLZLZMPDGMBEPL-UHFFFAOYSA-N 417.421 3.385 0 40 HGAB COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1cccnc1 223711939 FWCIBEVDOBUQJV-SFTDATJTSA-N 421.526 3.193 0 40 HGAB CC[C@H](C)[C@H](CO)NC(=O)[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(C)C 229709885 DQVCUIMSLAVQPE-HARLFGEKSA-N 410.558 3.483 0 40 HGAB C[C@@H](NC(=S)Nc1nc(N2CCOCC2)cc(C(F)(F)F)n1)c1ccccc1 225963423 GGDDMTPPCORYKO-GFCCVEGCSA-N 411.453 3.380 0 40 HGAB CCOc1ccc(N(CCCC(=O)Nc2cccc(C(C)=O)c2)S(C)(=O)=O)cc1 222620415 LQZYEHDVQNEMPD-UHFFFAOYSA-N 418.515 3.473 0 40 HGAB CS(=O)(=O)N(CC(=O)Nc1nnc(-c2ccc(Cl)cc2)s1)c1ccccc1 224822611 VWBRYJCTIHVUEW-UHFFFAOYSA-N 422.919 3.263 0 40 HGAB CN(CC(=O)NCc1ccc2ccccc2c1)S(=O)(=O)c1ccc(Cl)cc1 222803041 ZQHHVSKZYKNAAV-UHFFFAOYSA-N 402.903 3.430 0 40 HGAB COc1ccc(-c2noc(CN(C)S(=O)(=O)Cc3cccc(Cl)c3)n2)cc1 223644251 BOULPWRZGACUDU-UHFFFAOYSA-N 407.879 3.360 0 40 HGAB COc1ccc(N(CCCC(=O)N(C)Cc2ccc(C)cc2)S(C)(=O)=O)cc1 225535871 LMFIBQPNKPUIHT-UHFFFAOYSA-N 404.532 3.208 0 40 HGAB CCc1ccc([C@H](C)NC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cc1 225362237 CZTOQDOPMMDYOR-DJJJIMSYSA-N 422.934 3.307 0 40 HGAB O=C(O)c1cccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCCO)o2)c1 223631571 XJGOBEMPWVNIIS-PMACEKPBSA-N 423.494 3.395 0 40 HGAB O=C(Cc1cccc(Br)c1)Nc1ccccc1C(=O)N1CCOCC1 225616567 SOXPQGCODYKLTA-UHFFFAOYSA-N 403.276 3.103 0 40 HGAB CC(C)CNC(=O)C[C@H]1CC2(CCN(S(=O)(=O)C3CC3)CC2)Oc2ccccc21 96243348 RLKKCIBFTONPSW-KRWDZBQOSA-N 420.575 3.042 0 40 HGAB CCN1CCC(N[C@@H]2C[C@@H](C(=O)NC(C)C)N(Cc3cccc4ccccc34)C2)CC1 23362914 NEBKXUILVUADMW-NOZRDPDXSA-N 422.617 3.381 0 40 HGAB CN1CCN(C(=O)c2cc3c(c4ccccc4n3CC3CC3)n2-c2ncccn2)CC1 96146546 AIIACMWKIDJQHI-UHFFFAOYSA-N 414.513 3.173 0 40 HGAB O=C(O)c1nn(-c2cccc(C(F)(F)F)c2)nc1N1CCN(c2ccccc2)CC1 256046585 GXDBWJVUOCMXJL-UHFFFAOYSA-N 417.391 3.311 0 40 HGAB CC(=O)N1CCC(N2CCC(O)(COc3ccc(Cl)c(Cl)c3)CC2)CC1 585281706 PPZBFDCVQDUMPS-UHFFFAOYSA-N 401.334 3.210 0 40 HGAB CCN1CCN(C(=O)Cc2ccc(NC(=O)/C=C(\C)c3ccccc3OC)cc2)CC1 98056340 QEAHOGGSULNMCL-HTXNQAPBSA-N 421.541 3.444 0 40 HGAB O=C1[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)N1Cc1ccc(-c2nc3c4ccccc4ncn3n2)cc1 1615054507 ACJOUVCEPSAYLH-IDPBPBMLSA-N 423.476 3.476 0 40 HGAB CC(=O)N1c2ccc([C@H](O)CN3CCC(O)(c4ccc(F)cc4)CC3)cc2C[C@H]1C 12146833 VLOYFEDSIKUYRS-WAIKUNEKSA-N 412.505 3.140 0 40 HGAB CCn1cc(S(=O)(=O)NCC[C@@H](c2ccccc2)c2ccc3c(c2)OCO3)cn1 12362159 IHXANOPLWPUCPR-IBGZPJMESA-N 413.499 3.132 0 40 HGAB O=C(O)c1ccc(COc2ccc(/C=c3\sc4nc5ccccc5n4c3=O)cc2)o1 13564662 SKNURRWXCSLHNH-ODLFYWEKSA-N 418.430 3.327 0 40 HGAB COc1ccccc1[C@H]1CC(=O)c2cnc3[nH]n(-c4nc(C)cc(C)n4)c(=O)c3c2C1 13639663 WEAGUKWXPMTPEN-CQSZACIVSA-N 415.453 3.042 0 40 HGAB Cc1ccc(C)c(N(CCCC(=O)NCCCN2CCCCCC2)S(C)(=O)=O)c1 13669351 NRKQBICZCSFBMV-UHFFFAOYSA-N 423.623 3.232 0 40 HGAB Cc1cccnc1[C@@H](Cc1ccsc1)NS(=O)(=O)c1ccc2[nH]c(=O)oc2c1 19237672 XCUQGZTXJGGSNH-MRXNPFEDSA-N 415.496 3.148 0 40 HGAB Cc1ccccc1-c1nnc(SCC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)n1C 19316924 ZPMIWKSCESBFNY-LJQANCHMSA-N 421.570 3.273 0 40 HGAB COc1cc(CC(=O)N2CCC[C@@H](c3ccnc(-c4ccncc4)n3)C2)ccc1O 19550038 GNQYAIASZVWPNP-GOSISDBHSA-N 404.470 3.202 0 40 HGAB Cc1noc2nc([C@H]3CCCN(C(=O)c4cnc(N(C)C)nc4)C3)cc(C(F)F)c12 19564242 XQWJQSLKIDXGQE-LBPRGKRZSA-N 416.432 3.345 0 40 HGAB Cc1cc(C(F)(F)F)c2c([C@H]3CCCN(C(=O)Cn4nc(C)nc4C)C3)noc2n1 19568733 XVWBDVFVSYRDMO-ZDUSSCGKSA-N 422.411 3.165 0 40 HGAB c1coc(-c2nc(N3CCN4CCC[C@H]4C3)ncc2-c2ccnc(N3CCCC3)n2)c1 257219850 DILXUJNSPYUSKI-KRWDZBQOSA-N 417.517 3.078 0 40 HGAB Cc1csc(C(=O)N2CCC3(CC2)OCCn2c(CN(C)CC4CC4)cnc23)c1 1565556493 VDYSTEGPNXOXEV-UHFFFAOYSA-N 414.575 3.257 0 40 HGAB COc1ccc(N2CCCS2(=O)=O)cc1NC(=O)NCc1ccc(Cl)cc1 22506143 DXUIFVMDSGGHGC-UHFFFAOYSA-N 409.895 3.210 0 40 HGAB CN1CCc2c(sc(NC(=O)c3ccc(C(=O)c4ccccc4)cc3)c2C(N)=O)C1 4087092 MZHJRXSUBOAJNM-UHFFFAOYSA-N 419.506 3.318 0 40 HGAB Oc1c([C@H](c2ccc(F)cc2)N2CCC(O)CC2)sc2nc(-c3ccco3)nn12 22852279 YYYAVTGXSSJOQF-INIZCTEOSA-N 414.462 3.442 0 40 HGAB CCCNC(=O)[C@@H](C)NC(=O)Nc1ccc(Br)cc1Br 40098230 JFBOSTFJUCXZCI-MRVPVSSYSA-N 407.106 3.248 0 40 HGAB COC(=O)c1ccc(CN(C)C(=O)[C@@H]2CCCN(C(=O)c3cccs3)C2)cc1 30204690 DLXPVNCSOOKBND-QGZVFWFLSA-N 400.500 3.046 0 40 HGAB COC(=O)c1cccc(C(=O)Nc2ccc(OC)c(NC(=O)OC(C)(C)C)c2)n1 40133757 SLBJRDGVLBMHMX-UHFFFAOYSA-N 401.419 3.476 0 40 HGAB COc1ccc(Cn2nccc2NC(=O)CCc2nc(Cc3ccccc3)no2)cc1 40133823 XEUQPFPVPHZTQV-UHFFFAOYSA-N 417.469 3.485 0 40 HGAB CC(C)NC(=O)c1ccccc1NS(=O)(=O)c1ccc(Br)s1 983072 QHDXSUUQVKEEOP-UHFFFAOYSA-N 403.323 3.450 0 40 HGAB CC(C)N1C[C@@H](C(=O)Nc2ccc(Br)cc2Br)CC1=O 1105283 UGHGLFIGUFTSSU-VIFPVBQESA-N 404.102 3.407 0 40 HGAB Nc1c(C(=O)NC[C@@H]2CCCO2)c2nc3ccccc3nc2n1Cc1ccc(F)cc1 2354493 DMFSCORTTPROTD-INIZCTEOSA-N 419.460 3.263 0 40 HGAB CCOC(=O)C1CCN(C(=O)CSc2nnc(-c3c[nH]c4ccccc34)o2)CC1 3231352 GGSFCHJGYCPYMF-UHFFFAOYSA-N 414.487 3.112 0 40 HGAB CCOc1ccccc1NC(=O)CSc1nnc(-c2ccncc2)n1CCOC 3245459 VEEWBBKTHWWVFS-UHFFFAOYSA-N 413.503 3.116 0 40 HGAB O=C(CNC(=O)c1ccccc1)OCCCC(=O)c1ccc(Br)cc1 3285903 ZEHSANSGTOMVRY-UHFFFAOYSA-N 404.260 3.385 0 40 HGAB CSc1ccc(-c2ccc3n(c2=O)C[C@H]2C[C@@H]3CN(C(=O)CCC(=O)O)C2)cc1 4237200 FRPKWOVOEPXGEX-GOEBONIOSA-N 412.511 3.048 0 40 HGAB biogenic,in-vitro O=C(CCC(=O)N(CC(=O)NC1CCCC1)c1cccc(F)c1)Nc1nccs1 4848322 UYAFLUGBHXUGLC-UHFFFAOYSA-N 418.494 3.093 0 40 HGAB Cc1cc(=O)oc2cc(OCC(=O)N3CCN(c4ccccc4)CC3)c(Cl)cc12 5345646 KGWMHUXRAZTPSQ-UHFFFAOYSA-N 412.873 3.482 0 40 HGAB COc1ccc(-c2csc(NC(=O)c3cccc(S(=O)(=O)N(C)C)c3)n2)cc1 5559029 BBZSCFCNEBRIGQ-UHFFFAOYSA-N 417.512 3.321 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN1CCc2ccccc21 7600918 GQQWFBCMUSYVNQ-UHFFFAOYSA-N 413.543 3.171 0 40 HGAB O=C(OCCOc1cccc(Cl)c1)c1cccc(S(=O)(=O)N2CCCC2)c1 7979764 HJJTXQPLQOGEDF-UHFFFAOYSA-N 409.891 3.360 0 40 HGAB CCCCn1nc(C(=O)Nc2cccc(C(=O)NC3CC3)c2)c2ccccc2c1=O 8232714 QTUUHVJSUGAFNA-UHFFFAOYSA-N 404.470 3.341 0 40 HGAB O=C(COc1ccc2c(-c3ccccc3)cc(=O)oc2c1)N1CCc2[nH]cnc2C1 8765475 HCCGXNVIYFTNLL-UHFFFAOYSA-N 401.422 3.147 0 40 HGAB biogenic CCOc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccc(F)c(F)c4)ccn3n2)cc1 9321195 FIWHXNODKNRDTH-UHFFFAOYSA-N 424.407 3.479 0 40 HGAB CS(=O)(=O)Nc1ccc(C(=O)Nc2ccccc2C(=O)N2CCCCCC2)cc1 9356015 OJHRAFOOVMOQKL-UHFFFAOYSA-N 415.515 3.327 0 40 HGAB O=C(CSc1nc2c(c(=O)n1Cc1ccccc1)SCC2)Nc1nccs1 9602662 GTDQVCNFISFMMB-UHFFFAOYSA-N 416.553 3.127 0 40 HGAB COc1ccc(N([C@@H](C)C(=O)Nc2ccccc2OC)S(C)(=O)=O)cc1Cl 10331825 OAJXVWNSNVIVSO-LBPRGKRZSA-N 412.895 3.150 0 40 HGAB CCn1c(=O)n(CCC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)c2ccccc21 10447308 ZDHSWMKJJLZJNC-UHFFFAOYSA-N 420.513 3.090 0 40 HGAB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)C1CCN(C(=O)C(C)(C)C)CC1 10905684 DEIWDAJLYNPPBC-UHFFFAOYSA-N 410.562 3.449 0 40 HGAB C[C@@H](OC(=O)c1cc(=O)[nH]c2ccccc12)C(=O)Nc1ncc(Cl)cc1Cl 11459945 CYRKBZJMCWOKIT-SECBINFHSA-N 406.225 3.414 0 40 HGAB CC(C)c1nccn1CC(=O)N1CCC[C@H](c2nc3ccccc3cc2C(N)=O)C1 12220565 DCGUQVMWXYLFFY-KRWDZBQOSA-N 405.502 3.060 0 40 HGAB COc1ccc2c(c1)cc(C(=O)N[C@@H](C)C(=O)NCCc1c[nH]c3ccccc13)n2C 12664558 UCSQOJPDTXFJCE-HNNXBMFYSA-N 418.497 3.145 0 40 HGAB biogenic O=C(CN(c1nc2ccccc2s1)S(=O)(=O)c1ccccc1)Nc1ccon1 12873491 RPXDWWRSLXODSM-UHFFFAOYSA-N 414.468 3.118 0 40 HGAB COc1ccccc1-c1nn(CN2CCN(C(=O)c3ccccc3)CC2)c(=S)n1C 12880615 GQVCHWYTJOWLGJ-UHFFFAOYSA-N 423.542 3.042 0 40 HGAB COc1ccc(NC(=O)[C@H](C)N2CCN(C(=O)c3cccs3)CC2)cc1Cl 12916125 AMXKHBPUFTZSAF-ZDUSSCGKSA-N 407.923 3.195 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cc(C)nn3C(C)C)C2)cc1 13657103 HIRJMKPMSFSOAV-QGZVFWFLSA-N 404.536 3.120 0 40 HGAB COc1ccc(NC(=O)c2cnn(C)c2)cc1S(=O)(=O)Nc1ccccc1Cl 14843154 NOVIXJNRFBAGIL-UHFFFAOYSA-N 420.878 3.135 0 40 HGAB O=C(COc1ccc(Cl)cc1)Nc1cccc(S(=O)(=O)NCc2ccco2)c1 15913162 QWKNLDXBOBHXIC-UHFFFAOYSA-N 420.874 3.429 0 40 HGAB CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)CNC(=O)C1CCCCC1 15940570 VRZMARCMDFBMPU-UHFFFAOYSA-N 400.306 3.087 0 40 HGAB CC(=O)NC(=S)Nc1ccc(NC(=S)NC(=O)Cc2ccc(Cl)cc2)cc1 16320867 IAFNTIHASOFZBO-UHFFFAOYSA-N 420.947 3.229 0 40 HGAB COc1ccc2c(COC(=O)[C@H]3CCCN(C(=O)OC(C)(C)C)C3)cc(=O)oc2c1 16329723 QDYMIIJHLNGTHH-AWEZNQCLSA-N 417.458 3.492 0 40 HGAB C[C@H]1CCCC[C@H]1NC(=S)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 17083247 BVPYLFVLTHYVQT-XJKSGUPXSA-N 405.549 3.143 0 40 HGAB CCc1nc(C)cc(N2CCN(C(=O)c3c(-c4ccccc4OC)noc3C)CC2)n1 19523138 LIKNFOMFOZSMPB-UHFFFAOYSA-N 421.501 3.282 0 40 HGAB Cc1nn(C)cc1C(=O)N1CC[C@@H](c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C(C)C)N3)C1 19583446 LISYYDJIKGWJDU-UKPHBRMFSA-N 424.471 3.498 0 40 HGAB CCOc1ccccc1Cc1ccc([C@H]2CCCN(C(=O)CN3CCOCC3)C2)nc1 19687304 MJXBVHCABDAWBJ-QFIPXVFZSA-N 423.557 3.109 0 40 HGAB CN(C)c1ncc(-c2ccc(N)nc2)c(C2CCN(C(=O)c3ccc(F)cc3)CC2)n1 19695318 FASOIZDRDKFNFJ-UHFFFAOYSA-N 420.492 3.346 0 40 HGAB Cc1nc([C@@H]2CCCCN2S(C)(=O)=O)nc2c1CCCN2CCc1ccccc1 19706888 QSNOYTDSOSXGNT-FQEVSTJZSA-N 414.575 3.267 0 40 HGAB O=C1CCCC[C@@H]2[C@H](C[C@@H](Cc3ccccc3)N2S(=O)(=O)Cc2ccccc2)N1 19713904 DVFKCHQLOVSSLL-BHIFYINESA-N 412.555 3.261 0 40 HGAB CC(C)[C@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)N1CCN(Cc2ccccc2)CC1 20714223 YSYXTVVVSQVOCF-QHCPKHFHSA-N 418.541 3.267 0 40 HGAB Cc1ccc(C)c(S(=O)(=O)Oc2ccccc2C(=O)OCC(=O)c2ccc[nH]2)c1 20897550 HMGLPRDTBYOHEY-UHFFFAOYSA-N 413.451 3.439 0 40 HGAB COc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2cccc(C)c2C)c1 22229718 GBPZUQJQSAGWEY-IBGZPJMESA-N 402.516 3.412 0 40 HGAB CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](C)CC)cc1C 22247307 KALBZPCNEYABHX-XLIONFOSSA-N 418.559 3.198 0 40 HGAB CCOc1ccc(N(CC(=O)N[C@@H](C)c2cc(C)ccc2C)S(C)(=O)=O)cc1 22333158 NVEQAKAKMJNACE-KRWDZBQOSA-N 404.532 3.346 0 40 HGAB NC(=O)N[C@@H](CC(=O)N1CCc2sccc2C1)c1cccc(Br)c1 22597259 WHLYVLZTPUJRET-AWEZNQCLSA-N 408.321 3.195 0 40 HGAB Cn1c(=O)n(C)c2cc(NS(=O)(=O)Cc3c(Cl)cccc3Cl)ccc21 26111029 ROURXGPPARWWGC-UHFFFAOYSA-N 400.287 3.126 0 40 HGAB CN(Cc1cnn(-c2ccccc2)c1)C(=O)COC(=O)C1(c2ccccc2)CCC1 29519704 LSCMULXCLVZDBL-UHFFFAOYSA-N 403.482 3.496 0 40 HGAB CCSc1ccccc1NC(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O 30756571 FPPRKZNGCPFCDR-UHFFFAOYSA-N 424.544 3.221 0 40 HGAB Cc1ccc(C)c(NC(=O)[C@@H](C)N2CCC(NS(=O)(=O)c3cccs3)CC2)c1 32865332 HFCXTDIVFCPQGA-MRXNPFEDSA-N 421.588 3.135 0 40 HGAB COc1ccc(COC[C@@H](O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 32907319 QVZHMZQOIQXHDQ-HOCLYGCPSA-N 414.527 3.169 0 40 HGAB Cc1ccc(-c2nn3c(c2C)N=C(O)C[C@@H]3C(=O)Nc2ccc(C(N)=O)cc2)cc1 35684976 QNWFNKGIJPXZJR-QGZVFWFLSA-N 403.442 3.437 0 40 HGAB CN1CCN(C(=O)Nc2ccc(C(=O)NCC(F)(F)F)cc2)[C@H](c2ccccc2)C1 40104965 PZVUDGXJTOANRM-SFHVURJKSA-N 420.435 3.499 0 40 HGAB O=C(CCCn1cnc2ccccc2c1=O)Nc1nnc(CCc2ccccc2)s1 40287978 JXDYLYFYYUJUHG-UHFFFAOYSA-N 419.510 3.452 0 40 HGAB Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(Nc4ccc(F)cc4)[nH]c(=O)c32)cc1C 40399617 CHBWCLVXTCLHMA-INIZCTEOSA-N 421.432 3.334 0 40 HGAB NC(=O)N[C@H](CC(=O)N1CCC[C@@H]1c1ccncc1)c1cccc(Br)c1 42794638 DCNIEXGQNDWFOT-IAGOWNOFSA-N 417.307 3.307 0 40 HGAB COc1ccccc1N1C[C@H](C(=O)N[C@@H](c2nc3ccccc3[nH]2)C(C)C)CC1=O 45673444 IDYMZSULGKPDBR-QVKFZJNVSA-N 406.486 3.438 0 40 HGAB CCCSc1ncc(Br)c(C(=O)NCC(=O)Nc2cccc(C)c2)n1 46086994 UGUQWFUAWBIGHZ-UHFFFAOYSA-N 423.336 3.418 0 40 HGAB Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3ccc(-c4nc(C)no4)cc3)C2)nc1 46821543 HOHYJQGJXFTIRK-SFHVURJKSA-N 405.458 3.239 0 40 HGAB CSc1nnc(CCCNC(=O)c2oc3c(c2C)C(=O)CCC3)n1CC(C)C 48261314 KWETWLFGAAKTDK-UHFFFAOYSA-N 404.536 3.439 0 40 HGAB CCOc1cc(CN(C)Cn2cc(C)n(-c3cc(C)on3)c2=O)ccc1OC(F)F 48289550 ILJVEQZMTPALGQ-UHFFFAOYSA-N 422.432 3.333 0 40 HGAB Cc1nc(N2CCC[C@@H]2C(=O)N2CCN(C)CC2)c2cc(-c3ccccc3)sc2n1 48324054 QUBQSJIVWJHPBF-LJQANCHMSA-N 421.570 3.410 0 40 HGAB Cc1ccc(-c2noc(Cn3ncn4nc(-c5ccc(F)cc5)cc4c3=O)n2)cc1 49004300 IDQYPGAWONZVSO-UHFFFAOYSA-N 402.389 3.104 0 40 HGAB Cc1ccc(C)c(-c2cc3c(=O)n(CC(=O)Nc4ccc(F)c(F)c4)ncn3n2)c1 51317052 SXQWAYZHEWGDPH-UHFFFAOYSA-N 409.396 3.092 0 40 HGAB CCN1CCC[C@@H](CNc2cnn(-c3ccc(C(F)(F)F)cn3)c(=O)c2Cl)C1 58060278 CJLSHKZPIFHVJV-LBPRGKRZSA-N 415.847 3.444 0 40 HGAB COc1cc(/C=C/C(=O)NCCc2nc3c(s2)CCCC3)cc2c1OCCO2 58323551 HJPVJZBGTZMMTB-VOTSOKGWSA-N 400.500 3.174 0 40 HGAB CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)Cc1cn2ccccc2n1 60367733 YYKVDSYYZPNKBO-UHFFFAOYSA-N 404.436 3.486 0 40 HGAB CCc1nc2cc3c(cc2n1CC(=O)Nc1ccc2c(c1)OCCCO2)OCCO3 64795066 CZRVUOPXNJIDTF-UHFFFAOYSA-N 409.442 3.170 0 40 HGAB O=S(=O)(Nc1ccc(F)c(C(F)(F)F)c1)c1ccc(Cl)c(-c2nnn[nH]2)c1 72301309 BDCFRTLGMWXWEN-UHFFFAOYSA-N 421.763 3.479 0 40 HGAB Cc1c(C(=O)NC[C@](C)(O)CCC(C)C)sc2nc3n(c(=O)c12)CCCCC3 72304323 KDPKCOASGPUHCP-OAQYLSRUSA-N 405.564 3.410 0 40 HGAB Cc1cc(-c2ccc(=O)n(C3CCN(C(=O)c4ccc5c(c4)OCO5)CC3)n2)c(C)o1 72342426 SVTMJYSETIQPDB-UHFFFAOYSA-N 421.453 3.326 0 40 HGAB O=S(=O)(c1cn[nH]c1)N1CCC(c2cccc(Cc3cccc(F)c3)n2)CC1 72350429 DQJPPRZATYGFKX-UHFFFAOYSA-N 400.479 3.103 0 40 HGAB COc1ccc2sc(NC(=O)c3cccc(OCCN4CCOCC4)c3)nc2c1 72392156 ZNFRXWOBDBWHLN-UHFFFAOYSA-N 413.499 3.268 0 40 HGAB O=C(NCCc1nc2c(c(C(F)(F)F)n1)CCCC2)c1cc(=O)c2ccccc2o1 77101217 VBLYLSBSCDBIMH-UHFFFAOYSA-N 417.387 3.453 0 40 HGAB C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1ccc(-c2nc(C3CC3)n[nH]2)cc1 79014302 BXCURKLKNDXLIZ-CQSZACIVSA-N 411.506 3.431 0 40 HGAB Cc1nc(-c2ccc(I)cc2)nn1CC(=O)N1CCC(C)CC1 89718045 KIRHKMNAXRVJNB-UHFFFAOYSA-N 424.286 3.117 0 40 HGAB COc1cccc2[nH]cc([C@@H](CC(=O)N[C@H]3CCS(=O)(=O)C3)c3ccccc3)c12 95475464 FXXRUKHTLRVEPL-IRXDYDNUSA-N 412.511 3.002 0 40 HGAB CCN(CC)C(=O)C[C@H]1CC2(CCN(C(=O)c3ccnnc3)CC2)c2ccccc21 96053060 LNILDGRPWXXQJZ-IBGZPJMESA-N 406.530 3.396 0 40 HGAB CCc1ccc(N2C(=O)[C@@H]3[C@@H](N=NN3CC(=O)Nc3ccc(C(C)C)cc3)C2=O)cc1 101166066 WFOWWIKOAMPKDP-RTWAWAEBSA-N 419.485 3.304 0 40 HGAB COC(=O)c1ccc(CS(=O)(=O)NCCSCc2ccccc2Cl)cc1 216280634 GEEXXGFGBOSSHL-UHFFFAOYSA-N 413.948 3.479 0 40 HGAB Cc1ccc(OC[C@@H](C)NC(=O)CCCN(c2ccc(C)cc2)S(C)(=O)=O)cc1 219629144 FVCIFYHYQHORAJ-LJQANCHMSA-N 418.559 3.433 0 40 HGAB C[C@@H](C(=O)N[C@H]1CC(C)(C)Oc2ccccc21)N(c1ccccc1F)S(C)(=O)=O 220317309 AIVPLJCXBJUHGE-YOEHRIQHSA-N 420.506 3.399 0 40 HGAB COc1cc(CNC(=O)c2cccc(N(C)S(C)(=O)=O)c2C)ccc1OC(C)C 222437060 BPWHDEHPQRVLJK-UHFFFAOYSA-N 420.531 3.117 0 40 HGAB Cc1ccc(OC[C@H](C)NC(=O)CCCN(c2ccccc2F)S(C)(=O)=O)cc1 222661121 MDWOQOHDYSWSLK-KRWDZBQOSA-N 422.522 3.264 0 40 HGAB CNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CSCc1cccc(C)c1 222869153 VGLILQNIWNNARB-KRWDZBQOSA-N 400.544 3.400 0 40 HGAB CCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(F)cc1 224591626 DYOVDGRHMWGXIK-FQEVSTJZSA-N 402.466 3.157 0 40 HGAB CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1nnc(SCC(=O)OC)s1 225822385 OCYZRRJYCLDMQD-NSHDSACASA-N 401.897 3.253 0 40 HGAB CSc1nnc(NC(=O)[C@@H](C)N(c2cc(Cl)ccc2C)S(C)(=O)=O)s1 225823356 VCENQRDNBWOYNT-SECBINFHSA-N 420.969 3.015 0 40 HGAB CNC(=O)c1sc2nc([C@@]3(C)CCCN(C(=O)C4CCCC4)C3)ccc2c1N 257238591 HLSKANVPNGVXDC-NRFANRHFSA-N 400.548 3.308 0 40 HGAB Cn1cc(CN2CCC[C@@H](c3nc4ccc(NCc5ccccc5)cn4n3)C2)cn1 306136293 PPAOJJOCTQWQIC-HXUWFJFHSA-N 401.518 3.455 0 40 HGAB O=C([C@@H]1CCc2[nH]nc(-c3cccc(F)c3)c2C1)N1CCN(c2ccccn2)CC1 306137355 QUDHYGRNJCQQJH-QGZVFWFLSA-N 405.477 3.065 0 40 HGAB COc1ccc(CN2C(=O)c3cccn3[C@H]3CN(Cc4scnc4C)C[C@H]32)cc1 306144654 ZKZCNVVPSJHILW-VQTJNVASSA-N 408.527 3.343 0 40 HGAB COc1ccccc1NC(=O)CN(Cc1ccc(Cl)c(Cl)c1)S(C)(=O)=O 408622624 PUSYNOOIOSQZKK-UHFFFAOYSA-N 417.314 3.402 0 40 HGAB CC[C@H](Oc1ccccc1OC)C(=O)Nc1cc(C(=O)OC)ccc1C(=O)OC 408677271 AYWTWLNSVYJQBI-INIZCTEOSA-N 401.415 3.065 0 40 HGAB COC(=O)c1cccc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2C)c1C 408700991 PRKFSWPYHLZOBJ-UHFFFAOYSA-N 416.499 3.127 0 40 HGAB Cc1ccc(C(=O)N[C@@H](C)c2nnc(SCC(=O)NCc3ccccc3)n2C)cc1 409128294 SBJPEQHCEGNBPW-INIZCTEOSA-N 423.542 3.023 0 40 HGAB O=C(C1=NO[C@]2(CCCN(Cc3ccc(F)cc3F)C2)C1)N1CC(F)(C2CC2)C1 2056226527 TWIAWUSSDKYQTJ-HXUWFJFHSA-N 407.436 3.036 0 40 HGAB COc1ccc(S(=O)(=O)N2CCN(c3c(C)cc(C)cc3C)CC2)cc1OC 807550 JWJYQWABDKLOLA-UHFFFAOYSA-N 404.532 3.140 0 40 HGAB CCn1c(COc2ccc(OC)cc2)nnc1SCC(=O)NC1CCCCC1 813709 IKJRLLXIYXTWDH-UHFFFAOYSA-N 404.536 3.427 0 40 HGAB Cc1cccc(S(=O)(=O)c2c(N)n(C[C@@H]3CCCO3)c3nc4ccccc4nc23)c1 2404362 NUIGMGMPPDPRGD-HNNXBMFYSA-N 422.510 3.487 0 40 HGAB Cc1cccc(NC(=O)c2cccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)c2)c1C 2619581 BTNNBAUXRJSSRE-HZPDHXFCSA-N 402.516 3.354 0 40 HGAB Cn1c(=O)c2c(SCc3ccccc3Cl)nc(-c3ccco3)nc2n(C)c1=O 4139166 IXBPTPGGQGETKP-UHFFFAOYSA-N 414.874 3.233 0 40 HGAB COC(=O)C1=CN(Cc2ccc3c(c2)OCO3)C=C(C(=O)OC)C1c1ccccc1 4614283 DEZKAJLHEMTKOV-UHFFFAOYSA-N 407.422 3.129 0 40 HGAB O=C(COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)NC1CCCCC1 4928613 ZBRPMUWICLIWNF-NRFANRHFSA-N 408.498 3.020 0 40 HGAB CCOC(=O)C1=NN[C@@H](C(=O)c2ccc(Br)cc2)[C@H]1c1ccccc1 4954727 JBQOKHWOJIVBDI-HZPDHXFCSA-N 401.260 3.307 0 40 HGAB Cc1ccc2c(COC(=O)CCCN3C(=O)c4ccccc4C3=O)cc(=O)oc2c1 5020686 ZACAGTYGHJFCRT-UHFFFAOYSA-N 405.406 3.221 0 40 HGAB CCCOc1ccc(CN(C(=O)c2cccc(OC)c2)[C@H]2CCS(=O)(=O)C2)cc1 5186776 NLHKOZIJNFDPJS-IBGZPJMESA-N 417.527 3.314 0 40 HGAB CCCOC(=O)c1ccc(NC(=O)COC(=O)c2cc(OC)cc(OC)c2)cc1 5538404 XVSCERQVCBBHJF-UHFFFAOYSA-N 401.415 3.066 0 40 HGAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)Cc1cccc(C(F)(F)F)c1 5615784 CSSKSLZTBBWMKK-UHFFFAOYSA-N 416.421 3.146 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NS(=O)(=O)c1ccccc1F 5881802 UKRUPNSNVMQQOZ-UHFFFAOYSA-N 412.508 3.110 0 40 HGAB Cc1nnc(SCC(=O)N2CCN(c3ccccc3)CC2)n1Cc1ccccc1 5968346 CIUAZWBGGXVLCF-UHFFFAOYSA-N 407.543 3.076 0 40 HGAB Cc1cc(OCC(=O)N2CCN(c3ccc(F)cc3)CC2)c2c(C)cc(=O)oc2c1 6660754 USGQNOCHOHWLNL-UHFFFAOYSA-N 410.445 3.277 0 40 HGAB Cc1ccc(CN(C(=O)[C@@H](C)Oc2ccccc2Cl)[C@H]2CCS(=O)(=O)C2)o1 6810351 ZGTCBMQTCZURDR-CABCVRRESA-N 411.907 3.225 0 40 HGAB CCCN1C(=O)/C(=C\Nc2cc(C(C)(C)C)nn2-c2ccccc2)C(=O)NC1=S 6907438 OXXLOPGURDSQJO-SQFISAMPSA-N 411.531 3.119 0 40 HGAB Cc1cccc(C)c1NC(=O)Cn1nc(C)c(S(=O)(=O)N2CCC(C)CC2)c1C 7025419 NMGNZAGMCMMEJC-UHFFFAOYSA-N 418.563 3.176 0 40 HGAB O=C(Cc1cccc(C(F)(F)F)c1)N(Cc1ccco1)[C@H]1CCS(=O)(=O)C1 7406007 NJGQGVVMZLESSA-HNNXBMFYSA-N 401.406 3.057 0 40 HGAB O=C(COC(=O)CSc1ccc(Br)cc1)NCCc1ccccc1 7431828 LYZOHOATKARLSX-UHFFFAOYSA-N 408.317 3.443 0 40 HGAB CCn1c(SCC(=O)Nc2ccc(C(=O)NC)cc2)nnc1-c1cccs1 7477768 VSRLSKQXNQMXHU-UHFFFAOYSA-N 401.517 3.117 0 40 HGAB O=C(CN1CCC[C@H]1c1cccs1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 7990855 XAVMREMYRPAAFT-SFHVURJKSA-N 419.572 3.308 0 40 HGAB CC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)cc1 8038884 CDWVUBUUERPFJH-GOSISDBHSA-N 408.454 3.041 0 40 HGAB C[C@@H](NC(=O)COC(=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1)c1ccccc1 8039996 XSCMBYVYKKAFMT-ZBFHGGJFSA-N 400.862 3.114 0 40 HGAB COCCn1c(S[C@H](C)C(=O)N[C@H]2CCCC[C@H]2C)nc2ccccc2c1=O 8229959 SZMJAXCCUBQPFL-INMHGKMJSA-N 403.548 3.218 0 40 HGAB CCOc1cc2c(cc1OCC)CN(C(=O)CCN1C(=O)COc3ccccc31)CC2 8388613 BXDIQNWLJCECMT-UHFFFAOYSA-N 424.497 3.184 0 40 HGAB CC(=O)Nc1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccccc2Cl)cc1 8413853 SHLOSEPSJVLYKQ-UHFFFAOYSA-N 417.849 3.199 0 40 HGAB O=C(Nc1ccc2c(c1)OCO2)C1CCN(Cc2nc(-c3cccs3)no2)CC1 8723694 FLVLGFDABIJLBS-UHFFFAOYSA-N 412.471 3.378 0 40 HGAB C[C@H](OC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)C(=O)Nc1ccc(F)cc1Cl 8760388 HCHQPDLVYBXROM-ZFWWWQNUSA-N 418.852 3.398 0 40 HGAB CCCCCC[C@@]1(C)NC(=O)N(Cc2nc(N)nc(Nc3ccccc3C)n2)C1=O 9206807 LXYMHSOFHTYTIT-OAQYLSRUSA-N 411.510 3.287 0 40 HGAB COc1ccc(OC)c([C@H]2CCCN2C(=O)CSc2nnnn2C2CCCC2)c1 9454386 WJVZPWCHBCWPMJ-QGZVFWFLSA-N 417.535 3.261 0 40 HGAB O=C(COC(=O)[C@H]1[C@H]2C(=O)O[C@@H]3C[C@H]1C[C@H]23)Nc1cc(C(F)(F)F)ccc1Cl 9525747 YISJDWXIOAZCNV-FKFWPICOSA-N 417.767 3.038 0 40 HGAB COc1ccc(CCC(=O)Nc2cc(C3CC3)nn2-c2nc(C)c(C)c(=O)[nH]2)cc1 12127402 JQJPTACIYSBEBL-UHFFFAOYSA-N 407.474 3.030 0 40 HGAB NC(=O)c1cc2ccccc2nc1[C@@H]1CCCN(C(=O)COc2ccccc2F)C1 12255816 PUFMJZJAVGKJDQ-MRXNPFEDSA-N 407.445 3.258 0 40 HGAB COc1cccc(-c2noc([C@@H]3CC(=O)N(c4ccc5c(c4)OCO5)C3)n2)c1OC 12416024 QOLMQORDLAOBMB-GFCCVEGCSA-N 409.398 3.003 0 40 HGAB CC(C)(C)C(=O)COC(=O)c1ccccc1NC(=O)c1cccc(S(C)(=O)=O)c1 12779133 KOKCFDWNHJKXNN-UHFFFAOYSA-N 417.483 3.114 0 40 HGAB CC(=O)c1ccc(NC(=O)CCSc2nnnn2CCc2cccs2)cc1 12799249 DPMRFTXFRRKVHR-UHFFFAOYSA-N 401.517 3.301 0 40 HGAB COc1cc2c(c3oc(=O)c(CC(=O)NC[C@@H]4CCCO4)c(C)c13)CCC(C)(C)O2 12899013 XGQWNEBECMZOTN-AWEZNQCLSA-N 415.486 3.051 0 40 HGAB biogenic COc1ccccc1Oc1ccc(NC(=O)[C@H]2CCCCN2S(C)(=O)=O)cc1 12941999 NIYRHEFPWYACIC-QGZVFWFLSA-N 404.488 3.240 0 40 HGAB CCOc1ccc(/C=c2\sc3nnc(-c4ccc(Cl)cc4)n3c2=O)cc1OC 13547092 NGWQNSDJCDZJCH-BOPFTXTBSA-N 413.886 3.426 0 40 HGAB Cc1ccccc1-c1ccc(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)nn1 13663883 TUTOFVUTLPOGDZ-UHFFFAOYSA-N 408.527 3.104 0 40 HGAB Cc1ccc(N(CCCC(=O)N2CCc3ccccc3C2)S(C)(=O)=O)cc1C 13681447 RDVCRJNWVATDDP-UHFFFAOYSA-N 400.544 3.435 0 40 HGAB COC(=O)c1ccccc1NC(=S)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 13692212 KTSVRRUDSMBYRX-UHFFFAOYSA-N 424.448 3.406 0 40 HGAB O=C(CN1C(=O)N[C@@H](CCc2ccccc2)C1=O)N1CCC(Cc2ccccc2)CC1 14067998 WTAZQTYEIVQLKQ-QFIPXVFZSA-N 419.525 3.021 0 40 HGAB C[C@@H]1CCC[C@H](NC(=O)CSc2nnc([C@@H]3COc4ccccc4O3)n2C)[C@@H]1C 14249568 ZXUWKZYXTVDXLD-BSXFFOKHSA-N 416.547 3.361 0 40 HGAB COc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1C(=O)N1CCC(C)CC1 14398332 SGGWRXIFCINOJA-UHFFFAOYSA-N 416.543 3.388 0 40 HGAB O=C1C[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)n2nc(-c3ccccc3)nc2N1 14607319 ZQXVEIRDHXOXTA-CQSZACIVSA-N 401.348 3.486 0 40 HGAB CNc1sc(S(=O)(=O)c2ccccc2)nc1S(=O)(=O)c1ccc(C)cc1 15831676 IBKDDKMKDGYRRJ-UHFFFAOYSA-N 408.526 3.159 0 40 HGAB CCOc1ccc(CCNC(=O)COC(=O)/C=C/c2ccc(C)o2)cc1OCC 15951972 HNKZABJRKLATRC-PKNBQFBNSA-N 401.459 3.301 0 40 HGAB Cc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(Br)cc2)c(C)c1 16284939 XGDATMLTVFEDBN-UHFFFAOYSA-N 411.321 3.325 0 40 HGAB COc1cccc(CN2CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)CC2)c1 17082530 YPPOEFASZPMPTJ-UHFFFAOYSA-N 402.560 3.499 0 40 HGAB NC(=O)C1CCN(c2ccc3cccc(OCC(=O)Nc4ccc(F)cc4)c3n2)CC1 17170585 BFWBYISWPXBBAS-UHFFFAOYSA-N 422.460 3.093 0 40 HGAB O=c1c2ncccc2n(Cc2ccccc2Cl)c(=O)n1Cc1ccc2c(c1)OCO2 17177838 UAQZZMWKLNPMRF-UHFFFAOYSA-N 421.840 3.037 0 40 HGAB Brc1cc(CNCc2ccc(CN3CCOCC3)cc2)cc2c1OCO2 17318276 MEIIRWZVECFARV-UHFFFAOYSA-N 419.319 3.300 0 40 HGAB COc1ccc(CN2CCc3c(O)nc([C@H]4CCN(C(=O)C(C)(C)C)C4)nc3C2)cc1 19081060 BKXHXTIWEHNAFO-KRWDZBQOSA-N 424.545 3.111 0 40 HGAB Cn1cc(-c2ccnc(N3CCCC3)n2)c([C@@H]2CCCN2C(=O)c2ccccc2)n1 19290234 RDIBEUVMNBVZDB-FQEVSTJZSA-N 402.502 3.455 0 40 HGAB O=C(CN1C(=O)NC2(CCCCC2)C1=O)Nc1ncc(Cc2ccccc2F)s1 19349663 RPOGXLFWWKFQHP-UHFFFAOYSA-N 416.478 3.066 0 40 HGAB CCc1n[nH]c(C(=O)NC2CCN(Cc3cc(-c4ccc(F)cc4)nn3C)CC2)c1C 19520983 MCUQAGGBKHYLRU-UHFFFAOYSA-N 424.524 3.215 0 40 HGAB COc1ccc(OCCN2CCC[C@@H]([C@@H]3C[C@H](C(F)F)n4ncnc4N3)C2)cc1 19556855 UDWVVUKKNOGQSJ-FHLIZLRMSA-N 407.465 3.068 0 40 HGAB CN(C)c1ncc(-c2cccc(C(N)=O)c2)c([C@@H]2CN(CC3CCCCC3)CCO2)n1 19692778 HXICYYGRDNGUGS-NRFANRHFSA-N 423.561 3.262 0 40 HGAB Cc1[nH]c2c(C)ccc(C)c2c1CC(=O)NC[C@@H](c1cccnc1)N1CCOCC1 19716821 GYRQFCBDCXGMHE-NRFANRHFSA-N 406.530 3.220 0 40 HGAB COc1cccc(C(=O)N2CCCN(c3ccc(C(F)(F)F)cn3)CC2)c1OC 21532857 FZIPKVDEQRDAGC-UHFFFAOYSA-N 409.408 3.470 0 40 HGAB COc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2cc(C)ccc2OC)c1 22229949 UJAKOGPWWUWNAB-GOSISDBHSA-N 418.515 3.112 0 40 HGAB CC[C@H](NC(=O)CN(c1ccc(C)cc1)S(C)(=O)=O)c1ccc(OC)c(OC)c1 22328116 LQYFFHIIJPGZMO-SFHVURJKSA-N 420.531 3.046 0 40 HGAB Cc1cc(C)c([C@@H](C)NC(=O)COc2ccc(S(=O)(=O)N(C)C)cc2)cc1C 22537164 PTAPIIQQKKGBNX-QGZVFWFLSA-N 404.532 3.118 0 40 HGAB Cc1cc(C)c([C@@H](C)NC(=O)COc2ccc(S(=O)(=O)N(C)C)cc2C)cc1C 22537409 WUCXQJBOLKAQBL-GOSISDBHSA-N 418.559 3.427 0 40 HGAB CN1CCN([C@H](CNS(=O)(=O)c2ccc3ccccc3c2)c2ccsc2)CC1 22767122 CMQRJUUBADRIGU-OAQYLSRUSA-N 415.584 3.168 0 40 HGAB C[C@H](C(=O)NCCc1ccccc1)N1CCN(Cc2nc3ccccc3s2)CC1 22810864 VFEHBKRMRYYUKN-GOSISDBHSA-N 408.571 3.161 0 40 HGAB O=C(NC[C@H](c1ccco1)N1CCc2ccccc2C1)C(=O)Nc1ccc(F)cc1 22907441 ZULJTSLWBBEOTM-HXUWFJFHSA-N 407.445 3.273 0 40 HGAB C[C@@]1(C2CC2)NC(=O)N(CC(=O)Nc2nc(-c3ccc(Cl)s3)cs2)C1=O 23227128 HJXQIKATHMFVGB-INIZCTEOSA-N 410.908 3.184 0 40 HGAB CC(C)[C@H](NC(=O)C1CCN(C(=O)c2ccco2)CC1)c1ccc2c(c1)OCCO2 23918410 DJOFPIDLLOXHQL-NRFANRHFSA-N 412.486 3.417 0 40 HGAB O=C(NCc1ccc(CN2CCOCC2)cc1)c1ccc(Br)cc1F 24193337 SWCJIWBTOVQCPD-UHFFFAOYSA-N 407.283 3.350 0 40 HGAB C[C@H](NC(=O)C1CCN(C(=O)OCC(F)(F)F)CC1)c1ccc2c(c1)OCCO2 25394432 WNHLTTZGGXMRFM-LBPRGKRZSA-N 416.396 3.046 0 40 HGAB Cc1cc2occ(CC(=O)NCc3ccc(C(=O)N4CCOCC4)cc3)c2cc1C 25558964 YCTYEEPDPXKBHM-UHFFFAOYSA-N 406.482 3.381 0 40 HGAB NS(=O)(=O)Cc1ccc(NC(=O)c2cc(-c3ccco3)nn2-c2ccccc2)cc1 25584036 IFQKLCYFPKUYGL-UHFFFAOYSA-N 422.466 3.173 0 40 HGAB O=C1N[C@H](C(=O)NC23CC4CC(CC(C4)C2)C3)CS[C@H]1Cc1ccc(F)cc1 25594081 JDIQFYSLEXJIDB-XJPUKHNYSA-N 402.535 3.053 0 40 HGAB CN(C)C1(CNC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)CCCCCC1 32719938 MCUZNLKRTUISGP-UHFFFAOYSA-N 403.542 3.449 0 40 HGAB CCOC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2cc(Cl)c[nH]2)CC1 32850860 WKPMYTSVPVSZIM-QGZVFWFLSA-N 410.301 3.384 0 40 HGAB C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1c(C(=O)N2CCOCC2)oc2ccccc12 32857727 CCOVVBFUYFLBCY-XOBRGWDASA-N 422.437 3.072 0 40 HGAB C[C@H]1Oc2ccccc2O[C@H]1C(=O)Nc1c(C(=O)N2CCOCC2)oc2ccccc12 32857732 CCOVVBFUYFLBCY-JLTOFOAXSA-N 422.437 3.072 0 40 HGAB O=C(NCCCN1CCOCC1)c1cc2occc2n1Cc1ccccc1Cl 35475375 JJTVOJVOENGEMR-UHFFFAOYSA-N 401.894 3.388 0 40 HGAB Cc1nn(-c2ccc(=O)[nH]n2)c2c1[C@H](c1ccc(-c3ccc(F)cc3)o1)CC(=O)N2 36358241 KMGVCIADADEPCC-AWEZNQCLSA-N 405.389 3.137 0 40 HGAB COC(=O)[C@@H](CCSC)NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc(Cl)cc1 36584963 PUPYAGPYOHNTNW-WBVHZDCISA-N 422.938 3.015 0 40 HGAB CN(Cc1ccccc1)C(=O)[C@H]1CN(S(C)(=O)=O)c2cc(C(C)(C)C)ccc2O1 38832925 AYNRAONGYRTTML-HXUWFJFHSA-N 416.543 3.170 0 40 HGAB C[C@H](NC(=O)c1cn(-c2cccc(Br)c2)nn1)c1nc2ccccc2[nH]1 40073784 FOVUAMZWFJJNBI-NSHDSACASA-N 411.263 3.397 0 40 HGAB O=C(CCN1CCSC1=O)Nc1cccc(COc2ccc3c(c2)OCO3)c1 40145791 VTVNHXAGDGPKIW-UHFFFAOYSA-N 400.456 3.492 0 40 HGAB Cn1c(SCC(=O)NC(=O)NCCc2cccs2)nc2cc(Cl)ccc21 44050185 SRLSRFFQBMEVGH-UHFFFAOYSA-N 408.936 3.449 0 40 HGAB CC[C@H](NC(=O)[C@H]1CCN(S(C)(=O)=O)c2ccccc2O1)c1ccc(C)cc1C 44856747 SOFRKOKZSNSEJQ-GHTZIAJQSA-N 416.543 3.488 0 40 HGAB CCn1nc(-c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)c2c(c1=O)CCCC2 46027617 VAEXYFDDJIKCIB-UHFFFAOYSA-N 415.559 3.292 0 40 HGAB Cc1ccc(NC(=O)Cn2nc3c(SC4CCCCC4)nccn3c2=O)cc1F 49008989 MBQZWSROQAPNIL-UHFFFAOYSA-N 415.494 3.402 0 40 HGAB CC(C)CN1C[C@H](C(=O)N[C@H](Cc2ccccc2)c2nc3ccccc3[nH]2)CC1=O 50941872 WVGFFIMHIJYJTK-WIYYLYMNSA-N 404.514 3.467 0 40 HGAB O=C(Cn1nc(-c2ccccc2)ccc1=O)NCCn1ccc2ccc(Cl)cc21 71280004 QXGUNZXFEGXNQH-UHFFFAOYSA-N 406.873 3.335 0 40 HGAB CCOc1ccccc1C(=O)N1[C@@H](C(=O)O)COC12CCN(Cc1ccccc1)CC2 71980693 VZWLQMRAGAWAEA-HXUWFJFHSA-N 424.497 3.003 0 40 HGAB COCC(=O)N1CCC(Oc2ncnc3c2c(C)c(C)n3Cc2ccccc2)CC1 72335993 AVECZTLTKBLVIM-UHFFFAOYSA-N 408.502 3.113 0 40 HGAB CN1CCN(c2ncc(-c3cccnc3)c([C@H]3CCCN(C(=O)C(C)(C)C)C3)n2)CC1 72347984 XJNGRWMKAPKBBT-IBGZPJMESA-N 422.577 3.043 0 40 HGAB O=C(NCCCc1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc2c(c1)OCCO2 78808937 WYOVVZCPNXXAKW-IBGZPJMESA-N 409.486 3.203 0 40 HGAB COc1cc(OC)cc(C(=O)N(C)CC2CCN(C[C@H](O)c3ccccc3)CC2)c1 79026015 WLFWSHBEPLDWJJ-QHCPKHFHSA-N 412.530 3.221 0 40 HGAB O=C(NC1CCN(Cc2cn(-c3ccc(Cl)cc3)nn2)CC1)c1ccc(F)cc1 79059172 CPIZSJAKQLYGRN-UHFFFAOYSA-N 413.884 3.454 0 40 HGAB C[C@@H](CS(C)(=O)=O)N(C(=O)CCSc1ccccc1Br)C1CC1 79093755 WGTXOFCDEBTNGO-LBPRGKRZSA-N 420.394 3.355 0 40 HGAB CN(C(=O)COc1ccccc1Cl)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 89335251 ZSGHSAPCPXFDTG-AWEZNQCLSA-N 400.283 3.359 0 40 HGAB CN(C)S(=O)(=O)c1ccc(C(=O)NCc2cc(C3CC3)n(C3CCCC3)n2)cc1 96104091 LFDNRJUDFYTVAT-UHFFFAOYSA-N 416.547 3.056 0 40 HGAB COc1ccc(Br)cc1CS(=O)(=O)c1ncn(-c2ccccc2)n1 97164776 PXZLVSOWIJBYJR-UHFFFAOYSA-N 408.277 3.012 0 40 HGAB CCOc1ccc2nc(N3C(=O)/C(=C4\C(=O)Nc5ccccc54)NC3=S)sc2c1 100122294 FPBIBWPGOKPLOF-FOCLMDBBSA-N 422.491 3.280 0 40 HGAB O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C(=O)N1CN(C(=O)C(F)(F)F)c1ccc(Cl)cc1 100395203 BMFUNSUHUHFQAF-SJJUBHFPSA-N 424.806 3.246 0 40 HGAB CC(C)c1nc2cc(NC(=O)C[C@@H]3NC(=O)c4ccccc4N=C3O)ccc2n1C 101413656 SXPOBZWNTZPLQI-KRWDZBQOSA-N 405.458 3.426 0 40 HGAB CC[C@H](C(=O)NCc1ccc(OC(C)C)cc1)N(c1ccccc1F)S(C)(=O)=O 113967661 DEYDRVOPRHWUDW-LJQANCHMSA-N 422.522 3.474 0 40 HGAB CC[C@@H](C(=O)NCCc1ccccc1)N(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 220743633 YEEZJDPCHABPHX-SFHVURJKSA-N 424.950 3.252 0 40 HGAB CCC(=O)N(Cc1ccc(F)cc1)[C@@H](Cc1ccccc1)C(=O)NCCCOC 223193339 NLJOGYZSNZUVRC-NRFANRHFSA-N 400.494 3.328 0 40 HGAB S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2-c2cccnc2)N1C[C@@H]1CCCO1 223295778 FXVDEKYEZVWBBT-DZFGPLHGSA-N 405.527 3.419 0 40 HGAB Cc1ccc(N([C@@H](C)C(=O)NCc2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1 223441371 YHIGWKQQGDOOGW-AWEZNQCLSA-N 414.449 3.485 0 40 HGAB CCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CCc1ccc2c(c1)OCCO2 225068655 BGOXNJPYPSBKBN-LJQANCHMSA-N 424.541 3.376 0 40 HGAB COCCNC(=S)Nc1nc(N2CCCCCC2)cc(N2CCCCCC2)n1 225898983 ZQZCMDINUSINDU-UHFFFAOYSA-N 406.600 3.170 0 40 HGAB CCN(CC(=O)N(C)Cc1ccc(OC)cc1)S(=O)(=O)c1ccc(Cl)cc1 226048346 SERJTUYGQWXXFG-UHFFFAOYSA-N 410.923 3.018 0 40 HGAB C[C@]12CC[C@](O)(CN3CC3)C[C@@H]1CC[C@H]1[C@H]2CC[C@@]2(C)[C@@H]1CC[C@@]2(O)CN1CC1 253530044 KDZDNXAVYMXPKT-HPMWAKNQSA-N 402.623 3.123 0 40 HGAB C[C@@]12C[C@H](c3ccccc3)N(S(=O)(=O)c3ccc(F)cc3)[C@@H]1CCC[C@@H](O)[C@@H]2O 257239903 HRHPGLDRMBZOJU-CSEOROSGSA-N 419.518 3.242 0 40 HGAB Cc1nc([C@@H]2CCN(C(=O)c3ccccc3)C2)nc(C)c1CC(=O)NC1CCCC1 257299536 RQLLDOJRQYLEGB-LJQANCHMSA-N 406.530 3.324 0 40 HGAB O=C1c2cccn2[C@@H]2CN(Cc3ccc4c(c3)OCO4)C[C@@H]2N1Cc1ccc(F)cc1 306123990 BCMFGUKFQMKVQU-RTWAWAEBSA-N 419.456 3.437 0 40 HGAB CN1CC2(CCN(Cc3ccc4c(c3)OCO4)CC2)c2nn(CC3CCC3)cc2C1=O 306125457 CRQUOHWFNINJQR-UHFFFAOYSA-N 422.529 3.031 0 40 HGAB CC1=C(C(N)=O)[C@H](c2ccccc2)NC(SCC(=O)Nc2cc(C)ccc2C)=N1 408986425 CGLOTGMGFKYYSJ-FQEVSTJZSA-N 408.527 3.435 0 40 HGAB O=S1(=O)CCc2cc(CNS(=O)(=O)c3ccc(-c4ccccc4)cc3)ccc21 531555924 AOVZGLQLCCCDJO-UHFFFAOYSA-N 413.520 3.162 0 40 HGAB O=C(CN1CCCC[C@@H]1c1nnc(C2CCOCC2)o1)Nc1cccnc1Cl 583621801 TUSKTUFTPGRAIX-OAHLLOKOSA-N 405.886 3.178 0 40 HGAB CC1CCN(Cc2ccc(NC(=O)[C@H]3CC(=O)N(C)[C@H]3c3cccnc3)cc2)CC1 605401464 UZLQPTFLRNASLT-GMAHTHKFSA-N 406.530 3.472 0 40 HGAB CCCn1nc(C)c(C(=O)N[C@@H](C)[C@H](C)NC(=O)c2c(C)nn(CCC)c2C)c1C 683364182 STGZZZGLMMHJCW-KBPBESRZSA-N 416.570 3.070 0 40 HGAB O=S(=O)(c1cccnc1)N1CCC(CNc2ncnc3ccc(Cl)cc23)CC1 1775972831 XWXKVNSDXNQEEO-UHFFFAOYSA-N 417.922 3.191 0 40 HGAB O=C(CC[C@@H]1CCC(=O)N1)Nc1cscc1S(=O)(=O)c1ccc(Cl)cc1 2037845761 KPKFJHLTQHRSGY-LBPRGKRZSA-N 412.920 3.232 0 40 HGAB COc1cc(C(=O)N2CC(O)C2)cc2c1O[C@](C)(Cc1ccc(Cl)c(F)c1)C2 2037875308 OINUBYLZLDWDFU-OAQYLSRUSA-N 405.853 3.241 0 40 HGAB CC(=O)Oc1ccc(N(C(C)=O)S(=O)(=O)c2ccccc2)cc1Br 822140 JUIMKEYTKLWYFF-UHFFFAOYSA-N 412.261 3.116 0 40 HGAB CC(C)(C)NC(=O)CSc1nnc(CNc2ccc(F)cc2)n1C[C@H]1CCCO1 905087 UUAVHXNOKYQCDS-MRXNPFEDSA-N 421.542 3.215 0 40 HGAB COc1cc2[nH]c3c(N4CCN(c5ccccc5OC)CC4)ncnc3c2cc1OC 2245770 AVORXZZGUMNJFE-UHFFFAOYSA-N 419.485 3.464 0 40 HGAB COC(=O)[C@](NC(=O)c1cccc(Cl)c1)(Nc1ncc(C)s1)C(F)(F)F 2348313 MBPOIUHGUCSIEF-AWEZNQCLSA-N 407.801 3.378 0 40 HGAB CCOc1cc(/C=C2\N=C(c3cccc(OC(C)=O)c3)OC2=O)ccc1OC(C)=O 3087786 HNLPUTYWMYVPTP-ZDLGFXPLSA-N 409.394 3.280 0 40 HGAB Cc1ccc(N2C(=O)N(CC(=O)Nc3ccc(OC(F)F)cc3)C(=O)[C@@H]2C)cc1 3337489 PIESKFYADYXQKK-ZDUSSCGKSA-N 403.385 3.392 0 40 HGAB Cc1cccc(C)c1Nc1nnc(SCC(=O)NC(=O)c2cccn2C)s1 3361462 NNXSCTQCMDCHNG-UHFFFAOYSA-N 401.517 3.286 0 40 HGAB CC(C)C[C@]1(C)NC(=O)N(Cc2nnc(-c3ccccc3Br)o2)C1=O 3363638 GWFRPWQCPGUILA-KRWDZBQOSA-N 407.268 3.356 0 40 HGAB CCOc1ccc(NC(=O)CSc2nnnn2-c2ccccc2C)cc1OCC 3445126 PSXCQWWUGLHCBE-UHFFFAOYSA-N 413.503 3.499 0 40 HGAB Cc1cc2nnc(SCC(=O)NC(=O)NCc3ccccc3)n2c2ccccc12 3495892 SJNFXOZUZYMJMW-UHFFFAOYSA-N 405.483 3.309 0 40 HGAB O=C(COC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(Cl)cc1 3530551 BEKFMEOPRWCLSX-UHFFFAOYSA-N 407.875 3.164 0 40 HGAB Cc1ccc(C)c(NC(=O)Cn2cnc3c(cnn3-c3ccc(C)c(C)c3)c2=O)c1 4166083 LMQHCJUPGGWWCQ-UHFFFAOYSA-N 401.470 3.455 0 40 HGAB COc1cccc(NC(=O)CCc2nc(-c3cc(OC)c(OC)c(OC)c3)no2)c1 4384110 YWSPDYLXIAMOLO-UHFFFAOYSA-N 413.430 3.342 0 40 HGAB Cc1ccc(NC(=O)CN2C(=O)N[C@]3(CCCC[C@@H]3C)C2=O)c(Br)c1 4515818 NNKAXVBVTIEUMU-SGTLLEGYSA-N 408.296 3.197 0 40 HGAB CC(C)=C1[C@H]2CC[C@@H]1[C@@H]1C(=O)N(NC(=O)COc3ccc(Cl)c(C)c3)C(=O)[C@@H]21 4651179 YDCNKOPFLPYAPU-FTUNRGFVSA-N 402.878 3.036 0 40 HGAB CC(=O)Nc1ccc(N2C(=O)c3cccc4c(N5CCNCC5)ccc(c34)C2=O)cc1 4713022 HGCOKCBOFHPBDS-UHFFFAOYSA-N 414.465 3.008 0 40 HGAB CCOC(=O)Cc1csc(NC(=O)[C@@H](NC(=O)C2CCC(C)CC2)C(C)C)n1 4778493 OTIWYRBODFPVNC-KVULBXGLSA-N 409.552 3.154 0 40 HGAB CC(C)(C)NC(=O)[C@@H](c1cccnc1)N(C(=O)c1csnn1)c1ccccc1F 4858781 BSYUYPRYAVASPT-QGZVFWFLSA-N 413.478 3.375 0 40 HGAB Cc1ccccc1-c1nc(C(N)=O)c2[nH]c(=O)n(-c3ccc(C(C)(C)C)cc3)c2n1 5143483 JYBPQRXMLDZTNX-UHFFFAOYSA-N 401.470 3.481 0 40 HGAB COc1ccc(CCN[C@@H](CC(=O)Nc2cccc3ccccc23)C(=O)O)cc1OC 5258057 NWPNPXPRXQMNJA-FQEVSTJZSA-N 422.481 3.471 0 40 HGAB Cc1nc2cc(NC(=O)[C@@H]3CCCN3S(=O)(=O)c3cccs3)ccc2s1 5298753 LRJLRPHRXVQPAH-AWEZNQCLSA-N 407.542 3.458 0 40 HGAB Cc1ccc(S(=O)(=O)CCc2nnc(NC(=O)c3ccccc3)s2)cc1C 6215790 XNZDYLWSAVTUSA-UHFFFAOYSA-N 401.513 3.424 0 40 HGAB CCOc1ccc(-c2nnc(NC(=O)Cc3cc(OC)c(OC)c(OC)c3)o2)cc1 6507773 IWQFPLGEWXPDGT-UHFFFAOYSA-N 413.430 3.342 0 40 HGAB COc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2cc(C)on2)sc1C 6680171 DCNFAVJZQZCUFU-UHFFFAOYSA-N 407.473 3.415 0 40 HGAB Cc1ccc(S(=O)(=O)[C@@H](CNC(=O)COc2ccccc2)c2cccnc2)cc1 7997286 UNOSITWBBDNSLG-NRFANRHFSA-N 410.495 3.100 0 40 HGAB CC(=O)Nc1cccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1 8290703 LUDSICIGJHHGCF-UHFFFAOYSA-N 401.488 3.072 0 40 HGAB CC(=O)c1csc(NC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)n1 8769080 LBWYCYSXXXEQFM-UHFFFAOYSA-N 404.451 3.356 0 40 HGAB CC(C)c1ccc(C(=O)Cn2c(=O)n(Cc3ccccn3)c(=O)c3ncccc32)cc1 9000940 AEBQHOFTAFBKDI-UHFFFAOYSA-N 414.465 3.008 0 40 HGAB Cc1c(C)c(C)c(S(=O)(=O)N[C@@H]2CCS(=O)(=O)c3ccccc32)c(C)c1C 9113574 PVQGKUKAFVBIPA-GOSISDBHSA-N 407.557 3.426 0 40 HGAB O=C(COc1ccc2ccccc2c1)NC[C@@H]1CN(c2ccc3c(c2)OCO3)C(=O)O1 9120982 MLHMYGSPTMYTHR-LJQANCHMSA-N 420.421 3.089 0 40 HGAB CN(C)S(=O)(=O)c1cccc(CSc2nnc(-c3ccc4c(c3)OCO4)o2)c1 9254966 LVHBEPQFMJQKST-UHFFFAOYSA-N 419.484 3.008 0 40 HGAB C[C@H](Sc1nnc(CN2CCCC2)n1-c1ccccc1)C(=O)NCc1ccco1 9339390 GVGSHYCFBGURIK-INIZCTEOSA-N 411.531 3.253 0 40 HGAB Cc1cccc(CCCNC(=O)CN(c2cc(Cl)ccc2C)S(C)(=O)=O)c1 10110695 XCFLWWIJGKBXAW-UHFFFAOYSA-N 408.951 3.472 0 40 HGAB O=C([C@@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1)N1CCc2ccccc21 10449357 XHDHCZTXYPEVTG-QFIPXVFZSA-N 420.490 3.232 0 40 HGAB CCCCN(C(=O)CSc1nccn1-c1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 11197459 CHVVFRACKKEMMG-GOSISDBHSA-N 421.588 3.089 0 40 HGAB C[C@@H](NC(=O)c1ccc2c(c1)OCCO2)c1nc2cc(-c3ccccc3F)ncn2n1 12085069 PTMAXBIDVCLXIM-CYBMUJFWSA-N 419.416 3.193 0 40 HGAB CCCCCn1c(=O)c2c(nc3n2C[C@H](C)CN3c2cc(C)cc(C)c2)n(C)c1=O 12374058 ZSDYRLQGJXXBOC-QGZVFWFLSA-N 409.534 3.492 0 40 HGAB O=S(=O)(c1ccc(Cl)c(C(F)(F)F)c1)N1CCN(Cc2ccccn2)CC1 12553223 KBYFEGDQUMODOH-UHFFFAOYSA-N 419.856 3.260 0 40 HGAB C[C@@H]1C[C@@H](C)CN(Cc2csc(NC(=O)CNC(=O)c3ccccc3F)n2)C1 12783510 LAFDFCSACUHLBD-ZIAGYGMSSA-N 404.511 3.129 0 40 HGAB CN(C)[C@@H](CNC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)c1cccs1 12981011 UVAAEBLVSTTZSL-SFHVURJKSA-N 403.523 3.159 0 40 HGAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCN(C)C)ccc2Cl)cc1C 13646181 JESYWMBBAHTRDJ-UHFFFAOYSA-N 409.939 3.049 0 40 HGAB O=S1(=O)c2ccccc2[C@@H](O)[C@@H](Cc2ccncc2)N1CCCc1ccccc1 13725465 JVRQXALBGHTMJD-FYYLOGMGSA-N 408.523 3.363 0 40 HGAB Cc1c(-c2ccccc2)sc(NC(=O)[C@@H]2CCCO2)c1C(=O)N1CCOCC1 14199427 KLWMATPAZPYRMK-INIZCTEOSA-N 400.500 3.313 0 40 HGAB Cc1cc(=O)oc2cc(OCC(=O)N3CC[C@]4(O)CCCC[C@H]4C3)c(Cl)cc12 16032501 BTQSOPJJNTXHCY-LHSJRXKWSA-N 405.878 3.287 0 40 HGAB biogenic O=C(c1ccccc1)[C@H]1[C@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@H]2[C@H]2C=CC=NN12 16038773 YXRUDXHMUQYGIL-WZYRSQIMSA-N 421.456 3.437 0 40 HGAB CC(C)OC(=O)C[C@@H](NC(=O)c1cccc(CS(C)(=O)=O)c1)c1ccccc1 16140107 XKEBNCGTHSIXPK-LJQANCHMSA-N 403.500 3.044 0 40 HGAB O=c1cc2c(nn1Cc1ccccc1Cl)-c1cnc(N3CCCCC3)nc1CC2 19349741 DTPGMYBLDZNOOC-UHFFFAOYSA-N 407.905 3.491 0 40 HGAB CC(C)CC(=O)N1CCO[C@@](Cc2ccc(-c3cccnc3)cc2)(C(=O)N(C)C)C1 19446497 UXPVEEPJBIBTKT-XMMPIXPASA-N 409.530 3.023 0 40 HGAB CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCCN3C(=O)c3ccn(C)c(=O)c3)cc2N1 19520749 YWVVIISDHIUHOG-VNQPRFMTSA-N 423.439 3.257 0 40 HGAB COc1ccc(OC)c([C@@H]2CN(Cc3ccccc3)C[C@H]2NC(=O)c2cccnc2)c1 19552633 FQZFWQNLHMHZQN-XZOQPEGZSA-N 417.509 3.497 0 40 HGAB COc1ccc(-n2ncc(C(=O)[C@@H]3CCCN(C(=O)c4ccccc4)C3)c2N)cc1 19558687 DIRJXORAWUWUGD-QGZVFWFLSA-N 404.470 3.198 0 40 HGAB NC(=O)c1[nH]c([C@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)nc1-c1ccccc1 19698918 RTPNRUXMQMWSSR-KRWDZBQOSA-N 406.461 3.263 0 40 HGAB O=C1NCCc2nc(C3CCN(C(=O)Cc4ccccc4)CC3)cc(C(F)(F)F)c21 19703795 JIRFLHZHUHONDR-UHFFFAOYSA-N 417.431 3.335 0 40 HGAB COCCC(=O)N1CCC(c2nc(C)c3c(n2)N(Cc2ccccc2)CCC3)CC1 19705665 RISHFYLEQXFHOV-UHFFFAOYSA-N 408.546 3.480 0 40 HGAB Cn1cc(CCn2ccc3c(cnc4nc(-c5cccnc5)nn43)c2=O)c2ccccc21 20803204 XGAWDYPPLNQWGC-UHFFFAOYSA-N 421.464 3.236 0 40 HGAB CC(C)[C@@H](NS(=O)(=O)c1cccs1)C(=O)Nc1ccc2c(c1)OC(F)(F)O2 22469068 KKUJEQNZWKPCRN-CQSZACIVSA-N 418.443 3.011 0 40 HGAB CC(C)C[C@H](NC(=O)CN(c1ccccc1)S(=O)(=O)N(C)C)c1ccccc1 22533578 NSBBMQNGQVOFCZ-FQEVSTJZSA-N 403.548 3.203 0 40 HGAB COC(=O)[C@H](N[C@@H]1C(C)=C(C)C(=O)N1Cc1ccc(OC)cc1)c1cccc(OC)c1 23485336 LQSRVDBUUOFYMZ-YADHBBJMSA-N 424.497 3.212 0 40 HGAB C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)S(=O)(=O)c1ccc2c(c1)CCCC2 24776450 WRVWKVNVTJGZOY-OAHLLOKOSA-N 407.557 3.351 0 40 HGAB COc1ccc(-c2cc(NC(=O)[C@@H]3CCCCN3S(C)(=O)=O)ccc2OC)cc1 25766868 GSOKKBDVALELQR-IBGZPJMESA-N 418.515 3.123 0 40 HGAB Cn1c(SCC(=O)Nc2ccc(Br)cc2)nc2ccsc2c1=O 26098751 PVJFGOYIBFKBJA-UHFFFAOYSA-N 410.318 3.488 0 40 HGAB CCOC(=O)Cc1csc(NC(=O)c2cccc(NC(=O)c3cccnc3)c2)n1 29029092 DHOWYNNXAXCEIF-UHFFFAOYSA-N 410.455 3.148 0 40 HGAB CCOc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3)C2)cc1 30953403 UKLZQSUHYBLKLJ-AWEZNQCLSA-N 416.861 3.274 0 40 HGAB COc1ccc(OCCN(C)C(=O)c2c[nH]nc2-c2ccc3c(c2)OCCO3)cc1 32779919 VHPIHXCSTSGBCC-UHFFFAOYSA-N 409.442 3.008 0 40 HGAB O=C(c1nnsc1NC(=O)N1CCCC[C@H]1c1cccnc1)N1CCCCC1 33436069 HLSSHLAMVHUCDA-HNNXBMFYSA-N 400.508 3.318 0 40 HGAB CCN(CCCNC(=O)Cn1cnc2c([nH]c3ccccc32)c1=O)c1cccc(C)c1 35423725 QKVATSHWSHEBQE-UHFFFAOYSA-N 417.513 3.219 0 40 HGAB COc1ccc([C@@H]2[C@@H](C(=O)Nc3nnc(C)s3)c3ccccc3C(=O)N2C)cc1 36352606 OLNYFBWQNDSHJB-ZWKOTPCHSA-N 408.483 3.404 0 40 HGAB Nc1nonc1-c1nc2ccccc2n1CC(=O)Nc1ccc(N2CCCCC2)cc1 39389345 OHDUCASTVIJUFB-UHFFFAOYSA-N 417.473 3.298 0 40 HGAB CC[C@H](NC(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1)c1ccc(C)cc1 44935946 NUHDKIIOZAGXPM-LPHOPBHVSA-N 422.934 3.443 0 40 HGAB CCCN(CCC)C(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1Cc1ccccc1 48279656 GOPRIVQNVDVFIH-JOCHJYFZSA-N 407.514 3.149 0 40 HGAB O=C(NCCc1ccc(F)cc1)[C@@H]1Cc2ccccc2CN1Cc1nc(C2CC2)no1 48289124 DKAVKHLIJYOAIA-NRFANRHFSA-N 420.488 3.372 0 40 HGAB NC(=O)[C@H]1CCCN(Cc2ccc(NC(=O)COc3ccccc3Cl)cc2)C1 58326802 HOKAXCTUVWSATM-INIZCTEOSA-N 401.894 3.055 0 40 HGAB COCCC(=O)N1CC[C@@H](c2cc(CCOc3ccc(C(F)(F)F)cc3)[nH]n2)C1 72371354 NAYVVZNYXDPUCF-CQSZACIVSA-N 411.424 3.402 0 40 HGAB Cc1cc2c(cc1CN1CCC[C@H](c3cc(=O)[nH]c(-c4ccncc4)n3)C1)OCO2 72393004 XIYKCLIISBVPPN-KRWDZBQOSA-N 404.470 3.249 0 40 HGAB CC(C)Oc1ccc(F)cc1NC(=O)N(CC(=O)N1CCCC1)C[C@H]1CCCO1 78936980 LHFMNBDENNMISX-QGZVFWFLSA-N 407.486 3.248 0 40 HGAB O=S(=O)(c1cccnc1)N1CCC[C@@H](c2nnc(-c3ccccc3F)s2)C1 90557757 LBKSWLLQAHCFLC-CYBMUJFWSA-N 404.492 3.308 0 40 HGAB O=S(=O)(NC[C@H]1Cn2cc(-c3ccccc3)nc2CO1)c1ccc(Cl)cc1 96269303 VIKUJURWOALIRL-INIZCTEOSA-N 403.891 3.081 0 40 HGAB biogenic,in-vitro CCc1cc(O)n2nc([C@H]3CCCN(C(=O)c4ccc(OC)c(OC)c4)C3)cc2n1 100138063 UKYQZCQCZCUVIC-HNNXBMFYSA-N 410.474 3.034 0 40 HGAB COC(=O)c1c(C)nc(C2CC2)nc1SCC(=O)N[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 104679432 LANAIHVRDUBMLC-XTBFLFJDSA-N 403.548 3.482 0 40 HGAB CC[C@H](C(=O)Nc1cc(OC)ccc1OC)N(c1ccccc1F)S(C)(=O)=O 220587622 FXVJLPFUVMFMIB-MRXNPFEDSA-N 410.467 3.026 0 40 HGAB CS(=O)(=O)Nc1ccc(Cl)c(C(=O)NCCOc2ccc(Cl)cc2)c1 224396409 OZORVWMTECMPJN-UHFFFAOYSA-N 403.287 3.174 0 40 HGAB Cc1cccc(N([C@@H](C)C(=O)NCc2cccc(C(F)(F)F)c2)S(C)(=O)=O)c1 225511783 CQCYLFPYJSODGX-AWEZNQCLSA-N 414.449 3.485 0 40 HGAB O=C(NCc1cccnc1-c1ccco1)c1ccc(S(=O)(=O)N2CCCC2)cc1 225661723 KOUHJRNTQNFXPQ-UHFFFAOYSA-N 411.483 3.056 0 40 HGAB Cc1nc(N2CCC(NC(=O)c3ccc4nsnc4c3)CC2)cc(C(F)(F)F)n1 225725539 ZHYNJMNYWZTCRJ-UHFFFAOYSA-N 422.436 3.207 0 40 HGAB Cc1nc2c(c(N3CCC(NC(=O)c4cnc5ccccc5n4)CC3)n1)CCCC2 225738693 IJFIKRJNFJQPOF-UHFFFAOYSA-N 402.502 3.006 0 40 HGAB CN(CC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3N[C@@H]2Cc1ccccc1)Cc1ccccn1 257259812 LAECHXGSPBECOW-CAIUVPPLSA-N 418.585 3.256 0 40 HGAB O=C([C@@H]1C[C@H]2C=C[C@H]1C21CC1)N1CCC[C@@H]([C@@H]2C[C@H](C(F)F)n3ncnc3N2)C1 257298024 RJUQHNSGOGRRGE-FFWIBEFTSA-N 403.477 3.109 0 40 HGAB CCCC[C@H](CC)CNC(=O)[C@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1 260844151 FTIGXUTXMSLCIZ-SUMWQHHRSA-N 402.944 3.200 0 40 HGAB CC(C)CC(=O)N1C[C@@H](c2cn(C(C)C)cn2)[C@]2(CCN(Cc3ccncc3)C2=O)C1 306129271 HZCUCEYLVHKSJJ-RDPSFJRHSA-N 423.561 3.250 0 40 HGAB COC(=O)c1ccc(C)c(NC(=O)CN(c2cc(Cl)ccc2C)S(C)(=O)=O)c1 408920207 BFUWTHOMXLXDNY-UHFFFAOYSA-N 424.906 3.148 0 40 HGAB COc1cc2c(cc1/C=C1\SC(=O)N(CC(=O)N(C(C)C)C(C)C)C1=O)OCO2 409199943 FXNSYYXUEZDPQC-IDUWFGFVSA-N 420.487 3.106 0 40 HGAB COc1ccc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)c(OC)c1C 409215322 XMIXHNADSNUCOY-WJDWOHSUSA-N 404.488 3.061 0 40 HGAB O=C(NC1CCN(c2cnsn2)CC1)c1cc(Br)ccc1Cl 575617046 WAZPSTDVWXAIIH-UHFFFAOYSA-N 401.717 3.353 0 40 HGAB C[C@@H](c1ccccc1)N1C[C@]2(COCCN(c3ncnc4ccccc34)C2)CC1=O 585103874 GJDBJNHMNSSANE-UUOWRZLLSA-N 402.498 3.446 0 40 HGAB COCCN1c2cccnc2-n2cccc2[C@@]12CCN(C(=O)Cc1ccsc1)C2 585107169 QKLVJZDFZBTPHZ-QFIPXVFZSA-N 408.527 3.071 0 40 HGAB O=C(c1ccc(C(F)(F)F)nc1)N1CCC(Cn2nc(C3CC3)ccc2=O)CC1 585502923 QRCWJVVQVRDSSF-UHFFFAOYSA-N 406.408 3.087 0 40 HGAB CC(=O)Nc1ccc(S(=O)(=O)Nc2ccn(Cc3ccccc3Cl)n2)cc1 680064 QYWUNXCHRWFYTI-UHFFFAOYSA-N 404.879 3.344 0 40 HGAB CC1CCN(C(=O)COc2ccc(S(=O)(=O)N[C@@H](C)c3ccccc3)cc2)CC1 802388 QITFTAXFGVNDKV-SFHVURJKSA-N 416.543 3.363 0 40 HGAB CC(C)c1nnc(NC(=O)CCC(=O)N2CCN(c3ccc(Cl)cc3)CC2)s1 2367289 IZOQOSBWSAZXOQ-UHFFFAOYSA-N 421.954 3.382 0 40 HGAB COc1ccc(OCC(=O)OCC(=O)Nc2ncc(C(F)(F)F)cc2Cl)cc1 3269072 YOFKMFYOTKCIFD-UHFFFAOYSA-N 418.755 3.323 0 40 HGAB CC1(C)C(=O)Nc2ccccc2N1C(=O)COC(=O)CCC(=O)c1cccs1 3348036 YYDMCIZAMIUSER-UHFFFAOYSA-N 400.456 3.018 0 40 HGAB C[C@@H](C(=O)N1CCCc2ccccc21)N1C(=O)N[C@]2(CCCc3ccccc32)C1=O 3359314 DENLJLYFLGRLJI-FYSMJZIKSA-N 403.482 3.138 0 40 HGAB COc1ccc(OC)c(-c2csc(NC(=O)Cn3cnc4ccccc4c3=O)n2)c1 3559280 XSRJYOACVACPBQ-UHFFFAOYSA-N 422.466 3.176 0 40 HGAB O=C(COC(=O)c1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)cc1)c1ccccc1 4157214 XSMIQSJYQZSIAO-ALFLXDJESA-N 401.418 3.038 0 40 HGAB CC(C)CCn1c(=O)c2c(nc3n2C[C@@H](C)CN3c2ccc(Cl)cc2)n(C)c1=O 4249279 KALMGYRXKVUFKM-AWEZNQCLSA-N 415.925 3.384 0 40 HGAB CCc1cccc(C)c1NC(=O)Cn1nnc(-c2nc(-c3ccccc3)no2)c1N 4313405 IXDDXMXJCJIQHI-UHFFFAOYSA-N 403.446 3.087 0 40 HGAB CCOC(=O)c1cc(NC(=O)COc2cccc(C)c2C)ccc1N1CCOCC1 4705153 DQJKQYPAHDTSPF-UHFFFAOYSA-N 412.486 3.334 0 40 HGAB CCn1c(S[C@@H](C)C(=O)Nc2nnc(C)s2)nnc1-c1ccc(OC)cc1 4736442 BBGQAUYJINMGHJ-JTQLQIEISA-N 404.521 3.253 0 40 HGAB Cc1ccc(N(CC(=O)NC(C)(C)C)C(=O)CCC(=O)Nc2nccs2)cc1C 4848350 VPMXLCOQOKWYPQ-UHFFFAOYSA-N 416.547 3.427 0 40 HGAB CCCn1c(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)nc2ccccc21 4900700 IUKVADZJUBZCGT-UHFFFAOYSA-N 412.515 3.483 0 40 HGAB CCn1c(SCC(=O)Nc2cc(C)ccc2C)nc2cc(S(N)(=O)=O)ccc21 5071583 XRDGGEKHWQSPEA-UHFFFAOYSA-N 418.544 3.051 0 40 HGAB Cc1cc(Br)ccc1NC(=O)CN(C)[C@H](C)C(=O)NCc1ccccc1 7268083 AKWMIUHADNNZNE-OAHLLOKOSA-N 418.335 3.333 0 40 HGAB CCn1c(CN(C)Cc2ccco2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 7487939 IINOAFNNEMCZII-UHFFFAOYSA-N 416.547 3.456 0 40 HGAB COc1ccc(C(=O)CN(C(=O)c2ccccc2Cl)N2C(=O)CCCC2=O)cc1 7881772 BCGJJQWXFAWPQF-UHFFFAOYSA-N 414.845 3.128 0 40 HGAB COc1ccc(CCNC(=S)NN2C(=O)c3cccc4cccc(c34)C2=O)cc1 7985875 RURCMMYFBHJOHM-UHFFFAOYSA-N 405.479 3.066 0 40 HGAB Cc1cc(C)nc(SCC(=O)OCC(=O)NCC23CC4CC(CC(C4)C2)C3)n1 7990875 QRMANEQOVUTEMD-UHFFFAOYSA-N 403.548 3.061 0 40 HGAB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)/C=C/c1cn(Cc2ccccc2)nn1 8189722 GOKVKSREPATDPC-OUKQBFOZSA-N 412.497 3.243 0 40 HGAB COc1cccc(N2C[C@@H](C(=O)Nc3nnc(Cc4ccccc4)s3)CC2=O)c1 8261380 AHBMFKYFDCEAEU-HNNXBMFYSA-N 408.483 3.129 0 40 HGAB CCc1ccc(N2C[C@@H](C(=O)Nc3c(C)n(-c4ccccc4)n(C)c3=O)CC2=O)cc1 8475323 WOHADTIXKCKVOF-SFHVURJKSA-N 418.497 3.038 0 40 HGAB CCc1nc2ccccc2n1CC(=O)Nc1cccc(S(=O)(=O)N(CC)CC)c1 8719766 RJOHNDALWVSKFA-UHFFFAOYSA-N 414.531 3.268 0 40 HGAB C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 8928970 BSZNSQKJJPHZPZ-YWZLYKJASA-N 420.465 3.339 0 40 HGAB O=S1(=O)C[C@H]2N=C(SCCCOc3ccccc3)N(c3ccccc3)[C@H]2C1 9304134 RCCPSMRDFIORKB-MOPGFXCFSA-N 402.541 3.231 0 40 HGAB COc1ccc(-c2coc3cc(OCC(=O)NC[C@@H]4CCCO4)ccc3c2=O)cc1 9485147 MCDJZGNWKNUDGX-SFHVURJKSA-N 409.438 3.143 0 40 HGAB biogenic O=C(Nc1cccc(-c2nnnn2C2CC2)c1)c1ccc(OCC(F)(F)F)nc1 9893573 DNMSEHYZNYJISK-UHFFFAOYSA-N 404.352 3.263 0 40 HGAB COC(=O)c1cc(NC(=O)c2cccc(Br)c2)ccc1N1CCOCC1 9907761 MIPPNVWMGIFBJJ-UHFFFAOYSA-N 419.275 3.325 0 40 HGAB CCOC(=O)c1ccc(NC(=O)[C@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)c(C)c1 10447198 UKCLNXKAIGQEDG-AWEZNQCLSA-N 422.478 3.104 0 40 HGAB O=C(c1cccs1)N1CCC2(CC1)NC(=O)N(Cc1ccc(Cl)cc1)C2=O 11694090 QJDAWWISOJQAKR-UHFFFAOYSA-N 403.891 3.128 0 40 HGAB COc1cccc(OC)c1CNC(=O)[C@@H]1[C@@H]2[C@H]1CC[C@@]21CC(=O)c2ccccc2O1 12122385 RDIRINWVFVEDCU-BLVZXNIKSA-N 407.466 3.380 0 40 HGAB CCc1nc2ccccc2c(=O)n1CC1(O)CCN(Cc2cccc(C)c2OC)CC1 12187310 IMYMVZKAKBTARB-UHFFFAOYSA-N 421.541 3.303 0 40 HGAB O=C1Nc2cc(Cl)ccc2S[C@@H]1CC(=O)N1CCN(c2ccccc2)CC1 12556268 CJGDMIQMXODSKT-GOSISDBHSA-N 401.919 3.492 0 40 HGAB CCc1ccc(OCC(=O)N2CCN(Cc3nc(-c4ccc(C)cc4)no3)CC2)cc1 12760283 ZCKTULLXOGXROJ-UHFFFAOYSA-N 420.513 3.331 0 40 HGAB CCn1c(=O)n(CCC(=O)NCc2ccc(OC(F)(F)F)cc2)c2ccccc21 12861720 BKMQNSAWQXGJCJ-UHFFFAOYSA-N 407.392 3.428 0 40 HGAB CC(C)c1cccc(N2C[C@@H](C(=O)Nc3cc(S(C)(=O)=O)ccc3F)CC2=O)c1 12916283 NWMVZFNZKCLRNH-HNNXBMFYSA-N 418.490 3.344 0 40 HGAB Cc1sc2nc(-c3cccs3)nc(N3CCN(C(=O)CN(C)C)CC3)c2c1C 12949266 MFILGCSTSBZICC-UHFFFAOYSA-N 415.588 3.247 0 40 HGAB C[C@H](NC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O)c1ccccc1Br 12994732 YFDVAAKNFDCMDM-LBPRGKRZSA-N 423.332 3.262 0 40 HGAB COc1ccc(F)cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc2cc(C)cc(C)c2)C1 13580623 NIVZJLAFIZBBJW-INIZCTEOSA-N 420.506 3.491 0 40 HGAB CC(C)(C)OC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OC(C)(C)C)[C@H]1c1cccc(O)c1 13583861 AGQCMGOCQVNZSM-FXKZBUDASA-N 420.502 3.115 0 40 HGAB O=C(CN1CCN(C(=O)c2csc3c2CCCC3)CC1)Nc1ccc(F)cc1 14169085 YMIFCKJQNJKSKP-UHFFFAOYSA-N 401.507 3.163 0 40 HGAB Cc1cc(=O)[nH]c(-n2nc(C)c(CCC(=O)Nc3ccc(F)c(Cl)c3)c2C)n1 16849687 RHRLRQLKBYHFKC-UHFFFAOYSA-N 403.845 3.245 0 40 HGAB O=C(CN1C(=O)S/C(=C\C=C\c2ccccc2)C1=O)Nc1ccc(O)c(C(=O)O)c1 16921285 FAVSJBUAJJUUSP-GUSDSWBTSA-N 424.434 3.322 0 40 HGAB CCS(=O)(=O)N1CCCc2cc(NC(=O)c3ccc(Br)o3)ccc21 17316455 UKNJIOPHJJAHBF-UHFFFAOYSA-N 413.293 3.397 0 40 HGAB O=C(CC[C@]1(c2ccccc2)NC(=O)NC1=O)Nc1ccc(N2CCCCC2)c(F)c1 19369695 PBOGBHXZEAKKQL-HSZRJFAPSA-N 424.476 3.270 0 40 HGAB O=C1CCC[C@]2(CN(Cc3ccc(N4CCCC4=O)cc3)C[C@H]2c2ccccc2)N1 19373751 ZSUWCCNTFYCMST-WIOPSUGQSA-N 403.526 3.452 0 40 HGAB O=C(COc1ccc(Cl)cc1)Nc1nc2ccccc2n1CCN1CCOCC1 19376642 SPUVHWAYNUHHFN-UHFFFAOYSA-N 414.893 3.039 0 40 HGAB C[C@@H](Cc1ccc2c(c1)OCO2)CN1CCc2c(O)nc(-c3ccncc3)nc2C1 19456865 MMOYCWPLYGEOSU-HNNXBMFYSA-N 404.470 3.210 0 40 HGAB CC1(C)Cc2nc(-c3ccncc3)ncc2[C@H](NC(=O)CCCN2CCCC2=O)C1 19461510 GGGIMSNFRPODCG-GOSISDBHSA-N 407.518 3.071 0 40 HGAB Cc1ccc(OCCNc2cc(Cn3ncc4ccccc4c3=O)nc(C)n2)cc1 19655553 QGDXDZHHZXKQTP-UHFFFAOYSA-N 401.470 3.343 0 40 HGAB O=C(NC[C@@H](c1cccnc1)N1CCOCC1)c1cc(-c2ccc(Cl)cc2)on1 19661858 GOBAGSBAFMJHNY-IBGZPJMESA-N 412.877 3.193 0 40 HGAB Cc1nc2cc3c(cc2n1CC(=O)NCCc1cn(C)c2ccc(F)cc12)OCCO3 19718238 QOYUFDZTWDONNA-UHFFFAOYSA-N 422.460 3.106 0 40 HGAB O=C(NCCc1ccc(Cl)cc1)[C@@H]1CCN(C(=O)c2ccc3nsnc3c2)C1 19748085 SPRCVRVEFYXPES-OAHLLOKOSA-N 414.918 3.166 0 40 HGAB CC(C)NS(=O)(=O)c1ccc(OCC(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1 20018824 HIMZLLUVOUTARO-AWEZNQCLSA-N 410.923 3.283 0 40 HGAB COc1ccc(Cl)cc1N([C@@H](C)C(=O)N(C)Cc1ccc(C)cc1)S(C)(=O)=O 20458495 BLGRNTCTJVYLRS-HNNXBMFYSA-N 424.950 3.470 0 40 HGAB O=C([C@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1)N1CCN(Cc2ccccc2)CC1 20613610 XTNHMHYHBQLPRY-KRWDZBQOSA-N 415.896 3.176 0 40 HGAB COc1ccc(C(=O)NCCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1C 22227197 QKIAEQJGIWNXHB-UHFFFAOYSA-N 416.543 3.151 0 40 HGAB CCOC(=O)Cn1c(N2CCC(C)CC2)nc2nccc(-c3ccccc3)c2c1=O 22606891 LLRGRSIMWWNAEF-UHFFFAOYSA-N 406.486 3.258 0 40 HGAB COc1ccc([C@@H](CNC(=O)Cc2ccc3c(c2)CCCC3)N2CCOCC2)cc1 23762991 VHHJORMEZSFBTF-XMMPIXPASA-N 408.542 3.306 0 40 HGAB COc1ccc2c(-c3cccnc3)cc(SCC(=O)N3CCN(C)CC3)nc2c1 23908240 WKPJXGQLGVOVGZ-UHFFFAOYSA-N 408.527 3.172 0 40 HGAB O=S(=O)(c1ccc(F)c(F)c1)N1CCN(Cc2nc3ccccc3s2)CC1 24168873 OFSSZZQBHUKQBQ-UHFFFAOYSA-N 409.483 3.081 0 40 HGAB COCCn1c(SC[C@H](O)COc2ccc(F)cc2)nnc1-c1ccccc1 24838093 YGPRNRRMNHZEIH-QGZVFWFLSA-N 403.479 3.263 0 40 HGAB COCc1ccccc1CNC(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1 25308372 HUTJLYQMJPBFKK-MRXNPFEDSA-N 417.303 3.265 0 40 HGAB COc1cc(/C=c2\sc3nc(-c4cccnc4)nn3c2=O)ccc1OCCC(C)C 26687246 PXSJJSFKBDEQHK-UNOMPAQXSA-N 422.510 3.194 0 40 HGAB CCS(=O)(=O)c1ccc(O)c(NC(=O)c2nn(-c3ccccc3)c3c2CCC3)c1 28837985 AVWQPAQSFUTGKN-UHFFFAOYSA-N 411.483 3.113 0 40 HGAB COc1ccc(CN(C)C(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)cc1 30554969 KBOMJBRCDDZXSR-UHFFFAOYSA-N 422.934 3.405 0 40 HGAB CCOC(=O)c1ccsc1NC(=O)CN(CC)C[C@H]1COc2ccccc2O1 31174537 HFASGUQOQLVSLS-AWEZNQCLSA-N 404.488 3.025 0 40 HGAB CC[C@H](C(=O)NCCn1c(C)nc2ccccc21)n1nnc(-c2ccc(Cl)cc2)n1 31497963 MDIKJSKEQLUJBN-GOSISDBHSA-N 423.908 3.419 0 40 HGAB Cc1nc(C2(NC(=O)[C@H]3CC(=O)N(c4ccc5c(c4)CCC5)C3)CCCCC2)no1 32449419 SRQYUGDVMWDTRE-SFHVURJKSA-N 408.502 3.195 0 40 HGAB CCCn1nc(C(=O)Nc2cc(C)nn2-c2cccc(Br)c2)ccc1=O 32832106 FMIBTACKAHLIEN-UHFFFAOYSA-N 416.279 3.162 0 40 HGAB CCOC(=O)c1ccc(OC[C@H](O)CSc2nncn2-c2ccccc2F)cc1 32854168 JMBJCZQIXOXFIN-HNNXBMFYSA-N 417.462 3.115 0 40 HGAB CCOc1ccccc1[C@@H]1CCC[C@]2(O)CCN(CC(=O)NCc3ccco3)C[C@H]12 36641888 ZXFHIKYBELAUEJ-LEEZEASISA-N 412.530 3.315 0 40 HGAB biogenic,in-vitro Cc1ccc(N2C(=O)[C@@H]3N=NN(Cc4nc(-c5ccccc5Cl)no4)[C@H]3C2=O)cc1 38487266 GNRGZWFXBXOTDN-IAGOWNOFSA-N 422.832 3.192 0 40 HGAB CC[C@H](NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1OC)c1ccccc1 38772825 BGRGXXSZVKYGCP-IBGZPJMESA-N 402.516 3.361 0 40 HGAB O=C(Nc1cccc(NC(=O)[C@H]2CCCN(C(=O)N3CCCC3)C2)c1)c1ccncc1 40133457 WLWBAJGRAVFGHV-SFHVURJKSA-N 421.501 3.200 0 40 HGAB CCc1ccccc1NC(=O)[C@H]1CC(=O)Nc2nc(Nc3ccccc3)[nH]c(=O)c21 40399178 CWRWNECQOAMANT-HNNXBMFYSA-N 403.442 3.140 0 40 HGAB CC[C@@H](NC(=O)[C@H](C)N(c1ccc(F)cc1)S(C)(=O)=O)c1ccc(OC)cc1 44901292 MNZOOKQEZDFTIT-IFXJQAMLSA-N 408.495 3.256 0 40 HGAB CCOC(=O)c1ccc(NC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)nc2)cc1 48012735 DFXVPUKHLQGEMF-IYBDPMFKSA-N 412.490 3.194 0 40 HGAB CC(C)[C@@H](CNC(=O)CCCOc1ccccc1Br)N1CCOCC1 48111369 GRMTWEXFILUXHM-QGZVFWFLSA-N 413.356 3.081 0 40 HGAB Cc1cccc(C(=O)NC2CCN(C(=O)c3cn(-c4cc(C)cc(C)c4)nn3)CC2)c1 49406415 LJPHZAHXFHEFPR-UHFFFAOYSA-N 417.513 3.227 0 40 HGAB COC(=O)c1cc(NC(=O)[C@H](C)N2CCC[C@@H]2c2ccsc2)cc(C(=O)OC)c1 52803880 YAULYIOEAXKKCI-SCLBCKFNSA-N 416.499 3.485 0 40 HGAB COc1ccc(N2C[C@H](C(=O)NCc3ccc(Br)cc3)CC2=O)cc1 57416362 VCMZMJHIOUSMCA-CQSZACIVSA-N 403.276 3.127 0 40 HGAB C[C@H](c1nc(N)nc(Nc2ccccc2)n1)N1CCC(NC(=O)c2ccccc2)CC1 57703946 GCDYBJVUQVYABO-MRXNPFEDSA-N 417.517 3.153 0 40 HGAB O=C(CN1CCN(c2cccc(C(F)(F)F)c2)CC1)N[C@@H]1CCOc2ccccc21 58369853 KLCXFQDVIAJPLQ-LJQANCHMSA-N 419.447 3.467 0 40 HGAB O=C(O)c1cc(NS(=O)(=O)c2c(F)cccc2F)ccc1N1CCSCC1 58404387 URIUFGXPPDSPFX-UHFFFAOYSA-N 414.455 3.017 0 40 HGAB CCCCn1c(SCC(=O)NCc2cccc(OC)c2)nc2cc(C)[nH]c2c1=O 67238492 JNNFGCJRFFDIDA-UHFFFAOYSA-N 414.531 3.250 0 40 HGAB CSc1nc2cc(C)n(CC(=O)N3CCc4ccccc43)c2c(=O)n1CC(C)C 67320084 GCCDTSJGSGEHEU-UHFFFAOYSA-N 410.543 3.474 0 40 HGAB C[C@H](Oc1ccccc1)c1nnc(SCC(=O)Nc2cccc(C(=O)O)c2)n1C 72191513 BCCGEHZWYPVMJB-ZDUSSCGKSA-N 412.471 3.384 0 40 HGAB O=C(Cc1ccc(F)cc1)N1CCN(c2ccccc2)C[C@H](Cc2cnccn2)C1 72353560 CFOVHUQZKHURSB-FQEVSTJZSA-N 404.489 3.366 0 40 HGAB CN(CC(=O)N1CCCC[C@H]1c1n[nH]cc1-c1ccnc(N)c1)Cc1ccccc1F 72360810 OLAYBDHIHVOJGD-FQEVSTJZSA-N 422.508 3.379 0 40 HGAB C[C@H](CNC(=O)/C=C(/c1ccc(Cl)cc1)C(F)(F)F)CN1CCN(C)CC1 79110319 RGNKTEVLEBRZTF-RQNDZEIBSA-N 403.876 3.285 0 40 HGAB Cc1ccc2c(O)c(C(=O)N3CC[C@H]4CC[C@@H](C3)N4C(=O)OC(C)(C)C)cnc2n1 89657308 ZMYPWSMTTMXCBP-CABCVRRESA-N 412.490 3.258 0 40 HGAB COCc1ncc(-c2noc([C@H](C)Oc3ccc(C)cc3Br)n2)c(N)n1 95942980 SQALJEOOGMEONN-JTQLQIEISA-N 420.267 3.466 0 40 HGAB Cn1cc(C(=O)NCCCCCCC(=O)O)c(-c2ccc3c(c2)OCCCO3)n1 95956955 WXFILEXZOQKHDY-UHFFFAOYSA-N 401.463 3.013 0 40 HGAB O=C(Nc1nc(C(=O)NCc2ccc(OC(F)(F)F)cc2)co1)c1ccncc1 96124305 MBWZOTIPCOJLPL-UHFFFAOYSA-N 406.320 3.151 0 40 HGAB O=S(=O)(c1ccccc1)N1C[C@@H]2CN(Cc3ccc(C(F)(F)F)cc3)C[C@H]2C1 96245398 AMROHVSSEUFAAR-IRXDYDNUSA-N 410.461 3.458 0 40 HGAB Fc1ccc(CNC[C@H]2Cn3c(-c4ccc5c(c4)OCCO5)cnc3CO2)cc1F 96269369 OCHNJTBBXNZCHI-INIZCTEOSA-N 413.424 3.288 0 40 HGAB biogenic,in-vitro CC(C)[C@@H](NC(=O)C[C@@H]1NC(=O)c2ccccc2N=C1O)c1nc2ccccc2[nH]1 101413343 TVBRQSPAAOAJJL-PKOBYXMFSA-N 405.458 3.167 0 40 HGAB O=C(COC(=O)c1ccccc1N1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)c1ccc(F)cc1 102081205 UKKQFLFUYMUOOZ-VUEDXXQZSA-N 421.424 3.401 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)CC2)cc1 105871065 OLIFGTDZBJVJSZ-STHPQGGCSA-N 420.575 3.037 0 40 HGAB CCOC(=O)CN(c1c(C)cc(C)cc1C)S(=O)(=O)c1ccc(NC(C)=O)cc1 113871845 KUOURUFSSAYJNL-UHFFFAOYSA-N 418.515 3.329 0 40 HGAB CCOc1cccc(NC(=O)CCCN(c2cccc(OC)c2)S(C)(=O)=O)c1 113966589 CNWPZUGYMGGFTQ-UHFFFAOYSA-N 406.504 3.279 0 40 HGAB CC(C)S(=O)(=O)c1ccc(CC(=O)NC[C@@H]2CCCN2c2ccccc2)cc1 207988708 HMODVIUXVXYIPL-FQEVSTJZSA-N 400.544 3.196 0 40 HGAB Cc1ccc(OC[C@@H](C)NC(=O)CCCN(c2ccccc2C)S(C)(=O)=O)cc1 222562614 YGJHHOJHFPPISM-LJQANCHMSA-N 418.559 3.433 0 40 HGAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CN(C)S(=O)(=O)c1ccccc1 223652940 JTSWFZWFNIXKPT-GOSISDBHSA-N 402.516 3.034 0 40 HGAB CCSc1nnc(NC(=O)CCCN(c2cccc(C)c2)S(C)(=O)=O)s1 225193394 JHVGVYLVAIOSDZ-UHFFFAOYSA-N 414.578 3.143 0 40 HGAB Cc1cc(Nc2cccc(F)c2)cc([C@@H]2CCN(C(=O)Cn3nc(C)nc3C)C2)n1 257206781 BEWITKCXUHVWPS-QGZVFWFLSA-N 408.481 3.497 0 40 HGAB O=C(c1cc(O)nc(O)n1)N1CCCC[C@H]1c1ncc(Cc2cccc(Cl)c2)o1 257210741 BVZCASZRHGPCRE-INIZCTEOSA-N 414.849 3.487 0 40 HGAB O=C(c1cc(-c2ccccc2)n[nH]1)N1CCC[C@@](O)(CN2CCC(F)(F)CC2)CC1 257262278 LKUNWAMUQXQQDK-NRFANRHFSA-N 418.488 3.165 0 40 HGAB C[C@@]12C[C@H](c3ccccc3)N(C(=O)c3ccc4c(c3)OCO4)[C@@H]1CCC[C@@H](O)[C@H]2O 257288981 PWMKPKJKRLKPLF-RUGFMQOOSA-N 409.482 3.283 0 40 HGAB COc1cccc(CN2CCC[C@@]3(CN(C(=O)C4(F)CC4)CC(F)(F)C3)C2=O)c1 306138994 SMPNVPHIDKTJRE-LJQANCHMSA-N 410.436 3.174 0 40 HGAB COc1ccc(-c2nnc3n(c2=O)CC[C@]32CCN(Cc3ccc(F)cc3)C2)cc1 306140771 VDNAUZCCLSMEPK-QHCPKHFHSA-N 406.461 3.000 0 40 HGAB O=C(Nc1cccc(F)c1)c1nnc2n1C[C@@H]1CN(Cc3cccc(F)c3)C[C@@H]1C2 306141264 VQFYQXBJXIYXFF-HOTGVXAUSA-N 409.440 3.113 0 40 HGAB COC[C@H](C)NC(=O)c1ccc(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1 408622188 UWSVVMGIIBCPLH-AWEZNQCLSA-N 410.923 3.071 0 40 HGAB COc1ccc([C@@H]2[C@@H](NC(=O)c3cccc(C)c3)C(=O)N/[N+]2=C\c2ccccc2)cc1 409055339 DVIADEMLQWEBPA-WFZBXURCSA-O 414.485 3.020 0 40 HGAB COc1cc(NC(C)=O)c(Cl)cc1C(=O)OCC(=O)c1ccc(OC(C)=O)cc1 409183525 VCGXPICKDZMBLS-UHFFFAOYSA-N 419.817 3.272 0 40 HGAB O=S(=O)(c1ccc2c(c1)Cc1ccccc1-2)N1CCn2c(nnc2C(F)(F)F)C1 523517949 CLSGKBLRHVYRQK-UHFFFAOYSA-N 420.416 3.073 0 40 HGAB Cc1cc(C)cc(C2(c3nc(-c4cccc([C@]5(C)NC(=O)NC5=O)c4)no3)CC2)c1 546366502 VFZMSUVFSLNFNT-QFIPXVFZSA-N 402.454 3.488 0 40 HGAB Cc1c(C(=O)N2CC(Oc3cccc(C(F)(F)F)n3)C2)cnn1-c1ccccc1 575605784 DLPAEKKSBNZXIY-UHFFFAOYSA-N 402.376 3.498 0 40 HGAB Cc1cccc(C(=O)N2Cc3ccnn3[C@@H](CC(=O)N3CCC(F)(F)CC3)C2)c1 585096073 ZDWLWAGZLMGUTK-SFHVURJKSA-N 402.445 3.036 0 40 HGAB Cn1ccc(CN2CCC(c3ccc4cc(-c5cncnc5)cnc4n3)CC2)cc1=O 1889010334 JOYNWYDWEJGMRZ-UHFFFAOYSA-N 412.497 3.165 0 40 HGAB O=C1c2oc3ccc(Br)cc3c(=O)c2[C@@H](c2ccccc2F)N1CCO 2419536 GNTFJZRWBHIRIY-MRXNPFEDSA-N 418.218 3.232 0 40 HGAB COCCn1cc(NC(=O)[C@H]2CCCN(C(=O)c3cccc4ccccc34)C2)cn1 59257023 GWCDHQGYLZWTDX-SFHVURJKSA-N 406.486 3.174 0 40 HGAB COCC(=O)N1CCN(c2nc(C)nc3sc4c(c23)CC[C@@H](C(C)(C)C)C4)CC1 1357315 JCCMHNGYFJDYEP-OAHLLOKOSA-N 416.591 3.446 0 40 HGAB CCOC(=O)C1=C(CN2CCc3ccccc3C2)NC(=O)N[C@@H]1c1ccc(C)cc1 51318467 YDVYEGBLSOQILM-JOCHJYFZSA-N 405.498 3.224 0 40 HGAB CCCCCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(F)cc2F)c1=O 51357702 PPGRTLQYCNIEFK-UHFFFAOYSA-N 401.413 3.270 0 40 HGAB COc1ccc(NCc2nnc(SCC(=O)Nc3ccc(OC)cc3)o2)cc1 4125481 VPWUCXGRIDTSSC-UHFFFAOYSA-N 400.460 3.430 0 40 HGAB C[C@@H](Sc1nnc(-c2cccc(F)c2)n1N)C(=O)N[C@H]1CCCc2ccccc21 4876726 OVXOMOWHRKDCKF-ACJLOTCBSA-N 411.506 3.472 0 40 HGAB Cc1ccc2nc(CSc3ncnc4c3cnn4-c3ccccc3)cc(=O)n2c1 7976746 NQEICKCIMBAQDL-UHFFFAOYSA-N 400.467 3.424 0 40 HGAB COc1ccc(CCNC(=O)NC2(C(F)(F)F)Oc3ccccc3O2)cc1OC 2649249 GVPYEXIXGROYOZ-UHFFFAOYSA-N 412.364 3.233 0 40 HGAB COc1cc(-c2nnc(SCC(=O)NCc3ccccc3)o2)cc(OC)c1OC 2616897 RUSCCEXXWWSWLO-UHFFFAOYSA-N 415.471 3.171 0 40 HGAB CC(C)Oc1ccc(CC2(CCc3ccncc3)C(=O)N(C)C(=O)N(C)C2=O)cc1 59417328 UGFRECMNDJIAMK-UHFFFAOYSA-N 409.486 3.081 0 40 HGAB CN(Cc1ccccc1F)C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 8026722 LZMFXDVHODVGRK-MRXNPFEDSA-N 408.470 3.024 0 40 HGAB Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)NCCc3ccccc3)CC2)c(C)c1 8333550 FTGIVFWKWJEKAE-UHFFFAOYSA-N 414.571 3.371 0 40 HGAB O=C(COC(=O)CCc1nc2ccccc2c(=O)[nH]1)Nc1ccc(C(F)(F)F)cc1 8953889 FTXANSGGQBZSKH-UHFFFAOYSA-N 419.359 3.056 0 40 HGAB CCOc1ccc(NC(=O)c2cccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)c2)cc1 8985489 QCKJKKAEWUQUQC-HOTGVXAUSA-N 418.515 3.136 0 40 HGAB COc1ccc([C@@H](NC(=O)CCc2c(C)c3c(C)nn(C)c3[nH]c2=O)C2CC2)cc1 32827330 BBXDIKRCWNAABP-NRFANRHFSA-N 408.502 3.087 0 40 HGAB NS(=O)(=O)c1cccc(C(=O)NCc2nc(-c3ccc(Cl)cc3)cs2)c1 32932990 GSUMIZRFVMFDAV-UHFFFAOYSA-N 407.904 3.041 0 40 HGAB COc1ccc(C)cc1/C=C/C(=O)NCCN1C(=O)S/C(=C\c2cccnc2)C1=O 9125440 BXJQAHPJZWILFB-OSWYIVKVSA-N 423.494 3.265 0 40 HGAB COC(=O)c1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccco4)[C@H]3C2=O)cc1 101130166 AIRJRZRRFRLGKT-AQNXPRMDSA-N 418.405 3.117 0 40 HGAB COc1ccc(C(=O)NN2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@@H]3C2=O)cc1 666232 SZTYXYJBGHLXAC-BBITVKMKSA-N 424.456 3.232 0 40 HGAB CCOc1ccc([C@H](C)NC(=O)[C@H]2CCCN(S(=O)(=O)c3cccs3)C2)cc1 22513882 ACSFVGYWLJPZQK-RDJZCZTQSA-N 422.572 3.425 0 40 HGAB COc1cccc([C@@H](CNS(=O)(=O)c2ccccc2Br)N(C)C)c1 47032901 XITQXXCGGRYNHV-MRXNPFEDSA-N 413.337 3.039 0 40 HGAB COc1ccc(C2=NO[C@@H]3C(=O)N(c4ccc(Cl)cc4Cl)C(=O)[C@H]23)cc1OC 100900562 PUCGRZPAZAVCTK-WBVHZDCISA-N 421.236 3.303 0 40 HGAB CCN1CCN(C(=O)[C@H](C)Sc2nnc(-c3ccco3)n2-c2ccccc2)CC1 23243489 WBOMYBATRSRSSP-INIZCTEOSA-N 411.531 3.172 0 40 HGAB O=C(NC1CCN(C(=O)CCc2nnc(-c3ccccc3)o2)CC1)c1ccccc1 29776583 HVOSUKJFHBJYOS-UHFFFAOYSA-N 404.470 3.090 0 40 HGAB C#CCOc1ccc(/C=C2\C(=O)N(c3ccc(O)cc3)C(=O)N=C2O)cc1OCC 33932340 PRUZJBBBBDOMOB-ATVHPVEESA-N 406.394 3.310 0 40 HGAB COc1ccc(-n2ncc3c(N4CCN(c5ccccc5OC)CC4)ncnc32)cc1 1240788 HXRCCVXGXJOFHE-UHFFFAOYSA-N 416.485 3.159 0 40 HGAB COC(=O)C1=C(CN2CCc3ccccc32)N(C2CC2)C(=O)N[C@@H]1c1ccccc1 25049754 IXCQQMGPLGUQIZ-JOCHJYFZSA-N 403.482 3.405 0 40 HGAB CCN1C(=O)[C@@H](CC(=O)Nc2ccc(OC)cc2)N(CCc2ccccc2)C1=S 1431191 QIFXBPPGNZOYQI-LJQANCHMSA-N 411.527 3.084 0 40 HGAB O=C(CN1CCN(C(=O)c2ccco2)CC1)N[C@H](c1ccccc1)c1cccs1 35344236 XHSHJJRIIXMPGB-OAQYLSRUSA-N 409.511 3.005 0 40 HGAB CCc1cccc(NC(=O)Cn2c(=O)n(-c3ccccc3)c(=O)c3sccc32)c1 57489532 BVONERIURIJONM-UHFFFAOYSA-N 405.479 3.415 0 40 HGAB COc1ncccc1CN1CCO[C@H](c2cn3c(-c4ccncc4)cccc3n2)C1 306136253 POEDAVZIIZTKSW-NRFANRHFSA-N 401.470 3.373 0 40 HGAB O=C(COC(=O)c1cc2ccccc2cc1O)Nc1ccc(N2CCOCC2)cc1 3334898 CALVXLYEQYZUQA-UHFFFAOYSA-N 406.438 3.178 0 40 HGAB O=C(Nn1cnc2ccccc21)c1ccccc1NS(=O)(=O)c1ccc(F)cc1 12773566 ZCULUEXXQALOSQ-UHFFFAOYSA-N 410.430 3.360 0 40 HGAB Cc1cc(C)cc(C(=O)NCC(=O)N(C)Cc2c(C)nn(-c3ccccc3)c2C)c1 12787446 ZXFSDVDTFNRLIH-UHFFFAOYSA-N 404.514 3.494 0 40 HGAB Cn1ccnc1[C@H](NC(=O)CNC(=O)c1ccc(C(C)(C)C)cc1)c1ccc(F)cc1 10656586 KQPFYQKJKNPLRU-OAQYLSRUSA-N 422.504 3.492 0 40 HGAB COc1ccc([C@H]2CC(O)=Nc3c2ncn3-c2ccc(F)cc2)cc1OCC(N)=O 36359321 QNRBMXQMNZVNRB-OAHLLOKOSA-N 410.405 3.008 0 40 HGAB COc1ccc2cc(C(=O)O[C@@H](C(=O)N3CCOCC3)c3ccccc3)c(C)nc2c1 10726430 HICUMFWYNSZAKJ-JOCHJYFZSA-N 420.465 3.309 0 40 HGAB COc1ccc([C@H](CNC(=O)COc2ccc(C(C)C)cc2)N2CCOCC2)cc1 25450446 KDPSAOCIHOCWTL-QHCPKHFHSA-N 412.530 3.387 0 40 HGAB Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc(F)c(NS(C)(=O)=O)c3)cc2)n1 12850755 FLYOPKIYPFEFRU-UHFFFAOYSA-N 402.451 3.252 0 40 HGAB CCOc1cccc(NC(=O)CCCN(c2ccccc2OC)S(C)(=O)=O)c1 113967269 VNEAULKXLOFHEW-UHFFFAOYSA-N 406.504 3.279 0 40 HGAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@@H](C)c3ccccc3)C2)cc1 408558695 SNRMSPPFLSGHKI-PKOBYXMFSA-N 416.543 3.363 0 40 HGAB Cn1c(CNC(=O)c2ccc3c(c2)OCO3)nnc1SCc1cccc(Cl)c1 7871092 CEPLMBQGZKGISP-UHFFFAOYSA-N 416.890 3.420 0 40 HGAB O=C(CSc1nc2ccccc2o1)c1ccc(CC(=O)N2CCOCC2)s1 6086391 GLXBHNKSFQXEGS-UHFFFAOYSA-N 402.497 3.266 0 40 HGAB Cc1cccc(NC(=O)CCCN(c2ccc3c(c2)OCO3)S(C)(=O)=O)c1C 113943867 ZZUHETAQDYKJPL-UHFFFAOYSA-N 404.488 3.217 0 40 HGAB CC(=O)Nc1ccc(NC(=O)CN2C(=O)[C@@H](C)N(c3ccc(Cl)cc3)C2=O)cc1 14123131 ZUCXPEUUWBQFHV-GFCCVEGCSA-N 414.849 3.094 0 40 HGAB NS(=O)(=O)c1ccc(Cl)c(C(=O)OCc2csc(-c3ccccc3)n2)c1 6542369 BRBPCDJCSBXSRW-UHFFFAOYSA-N 408.888 3.468 0 40 HGAB COc1cc(OC)c(N2C[C@H](C(=O)NCCc3ccccc3F)CC2=O)cc1Cl 8341771 FXHLJRHPABROFB-CQSZACIVSA-N 420.868 3.208 0 40 HGAB O=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1cc2ccccc2oc1=O 7063022 OSAOGWFUYKJBKC-UHFFFAOYSA-N 412.467 3.220 0 40 HGAB COc1cccc(C(=O)COC(=O)c2ccccc2N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 17988390 IWFUYMIHNZXSKU-ROUUACIJSA-N 419.433 3.191 0 40 HGAB COc1ccc(-c2nnc(NC(=O)c3cc(OC)c(OC)c(OC)c3)s2)cc1 18005042 MZGHVETXBUQKBB-UHFFFAOYSA-N 401.444 3.492 0 40 HGAB CC1CCC2(CC1)NC(=O)N(Cc1cc3c(cc1Br)OCCO3)C2=O 9646482 UEZAMNQQCUMGRO-UHFFFAOYSA-N 409.280 3.221 0 40 HGAB COc1ccc(OC)c(NC(=O)c2nnn(CC(=O)Nc3cc(C)ccc3C)c2C)c1 71327320 ZODWZTXAPSOMOM-UHFFFAOYSA-N 423.473 3.112 0 40 HGAB O=C(c1ccc(-c2ccc(F)cc2)s1)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 9223820 SRNWILJKVZBSSP-IRXDYDNUSA-N 423.531 3.363 0 40 HGAB CCC(=O)NCc1cc(S(=O)(=O)N[C@H](c2ccccc2)C(C)C)ccc1OC 89941767 MOMFZPDBQKNUGX-NRFANRHFSA-N 404.532 3.397 0 40 HGAB COCc1cccc(NC(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)c1 83914723 ZYIYWUACBVKIFI-UHFFFAOYSA-N 403.485 3.343 0 40 HGAB C[C@@]1(Cc2ccc3c(c2)OCO3)NC(=O)N(Cc2ccc(Br)cc2)C1=O 9799076 REGFJZUKHOLUDH-IBGZPJMESA-N 417.259 3.231 0 40 HGAB CC(C)[C@@H](NC(=O)c1ccc(F)cc1)C(=O)Nc1cccc(-c2nnnn2C2CC2)c1 9710060 PXTYUFOKAIMICQ-LJQANCHMSA-N 422.464 3.207 0 40 HGAB O=C(CCCOc1ccccc1Br)N[C@@H]1CS(=O)(=O)c2ccccc21 72288627 HLDSLOSSRJDIEP-OAHLLOKOSA-N 424.316 3.253 0 40 HGAB O=C(CCNC(=O)c1cc(F)ccc1Br)Nc1cccc2c1OCO2 97082866 AVCKKMKMCMUDRI-UHFFFAOYSA-N 409.211 3.076 0 40 HGAB CCOC(=O)c1cc(NC(=O)[C@H]2CC(=O)N(c3cccc4ccccc34)C2)cn1C 72304389 YNLQYMJDRUDLOR-INIZCTEOSA-N 405.454 3.347 0 40 HGAB COc1cccc(CCNC(=O)CCc2ccc(OCC(F)(F)F)c(OC)c2)n1 79056953 CNOUGGDJZZLZLQ-UHFFFAOYSA-N 412.408 3.331 0 40 HGAB CCOc1ccc(/C=C2\SC(=O)N(CC(=O)N(CC)CC)C2=O)c(OCC)c1 409217696 FJTSSRIQPZYJRH-BOPFTXTBSA-N 406.504 3.389 0 40 HGAB COc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H](C(=O)c2ccc(Cl)cc2)N2CCC[C@H]32)cc1 35848487 USJLSKUJLJCMPX-WTGUMLROSA-N 424.884 3.184 0 40 HGAB Cc1cc2nc([C@@H]3CCCN3C(=O)[C@@H]3C[C@H](O)CN3Cc3ccccc3)[nH]c2cc1C 36714045 UBBCHHRFFWUMLM-VJBMBRPKSA-N 418.541 3.479 0 40 HGAB CC[C@H](C)NC(=O)CCc1c(C)nc2cc([C@@H]3CCCN3C(=O)C3CC3)nn2c1C 72351310 HPAPVIVIOOEZMP-XOBRGWDASA-N 411.550 3.267 0 40 HGAB CN(C)c1ncc(-c2ccccc2F)c(C2CCN(C(=O)c3ccnn3C)CC2)n1 72376679 YYPNHMGMCHHPLM-UHFFFAOYSA-N 408.481 3.102 0 40 HGAB CCC(=O)N1CCC[C@H](c2nc(C)c3c(n2)N(Cc2ccc(OC)cc2)C(=O)CC3)C1 72371140 YQXRLCNGYFKNOQ-SFHVURJKSA-N 422.529 3.389 0 40 HGAB NC(=O)C1(NS(=O)(=O)c2ccc(-c3ccc(Br)cc3)cc2)CCCC1 73633193 SQGJCWLCSIKQJU-UHFFFAOYSA-N 423.332 3.193 0 40 HGAB Cc1cc(C(=O)NCc2ccccc2CN2CCCCC2)ccc1NS(C)(=O)=O 224826413 YPDDJQRKXLOYTR-UHFFFAOYSA-N 415.559 3.282 0 40 HGAB CCOC(=O)CN(c1ccc(C(=O)OCC)cc1C)S(=O)(=O)c1ccc(F)cc1 224924142 RTVBHHXGIXWVCB-UHFFFAOYSA-N 423.462 3.069 0 40 HGAB CCc1ccccc1NC(=O)[C@H]1CC(=O)Nc2nc(N3CCCC[C@@H]3CC)[nH]c(=O)c21 40390570 UIRUGOZPXRSKLF-HOTGVXAUSA-N 423.517 3.166 0 40 HGAB CC(C)(C)SCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 225545289 XORKVSWUBBWENE-AWEZNQCLSA-N 419.012 3.389 0 40 HGAB C[C@@H](CNC(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O)c1ccccc1 223661840 KKFXYOZYYOLWDW-AWEZNQCLSA-N 414.449 3.391 0 40 HGAB COC(=O)c1cccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3Br)C2)c1 40069363 XBVSNHYMQTZVML-CYBMUJFWSA-N 417.259 3.227 0 40 HGAB Cc1cccc(NC(=O)N2CCC3(CC2)CN(CC(C)C)C[C@@]32CCN(C)C2=O)c1 96144213 LJVFBUFUTVNVIH-XMMPIXPASA-N 412.578 3.429 0 40 HGAB C[C@@]1(C(=O)NCCOc2ccc(-c3ccccc3)cc2)CC(=O)N2C=CC=CC2=N1 141550109 NIGUKIUKQDFIJN-DEOSSOPVSA-N 401.466 3.322 0 40 HGAB O=C(Nc1cccc(F)c1)[C@H]1CN(C(=O)Cc2ccsc2)CC12CCOCC2 96241091 HEWVLTCZYZWHPT-GOSISDBHSA-N 402.491 3.324 0 40 HGAB NC(=O)c1cccc(-c2cccc([C@H]3CN(C(=O)Cc4ccc(F)cc4)CCO3)n2)c1 257302981 SFHCFXRPGRQQBG-JOCHJYFZSA-N 419.456 3.129 0 40 HGAB Cc1nc2c(c(N3CCC(NC(=O)c4cc(-c5cccnc5)on4)CC3)n1)CCCC2 252507963 WYQLUNOFUSSNJW-UHFFFAOYSA-N 418.501 3.113 0 40 HGAB O=C(c1cnccn1)N1CC[C@@H](c2ccnc(Nc3cc(C(F)(F)F)ccn3)n2)C1 257314725 UYFGFCPBCJMHLH-GFCCVEGCSA-N 415.379 3.054 0 40 HGAB O=S(=O)(NCC1(Sc2ccccc2)CCOCC1)c1ccc2c(c1)OCCO2 96331216 JVUAZMHVNFNHBK-UHFFFAOYSA-N 421.540 3.078 0 40 HGAB C[C@H]1CN(C(=O)Nc2cccc(S(=O)(=O)N3CCCCCC3)c2)C[C@H](C2CC2)O1 1665571103 ZULXBDMYBQEWKD-OXJNMPFZSA-N 421.563 3.283 0 40 HGAB CC1=C2CC(=O)OC(C)(C)C2=CC[C@]2(C)C3=C(COC3=O)[C@](C)(C(=O)[C@H](C)O)C[C@H]12 1772592105 ZUTWSWQKZGMWHN-HAUAAXNUSA-N 414.498 3.194 0 40 HGAB CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CC=C4C[C@H](OS(=O)(=O)O)CC[C@]4(C)[C@H]3CC[C@@]21C 5167249 OMOKWYAQVYBHMG-OGNRNXDYSA-N 412.548 3.457 0 40 HGAB endogenous,world Nn1c(SCC(=O)NCCCc2ccccc2)nnc1-c1ccccc1Cl 5861192 VAYXQGLAQOSACE-UHFFFAOYSA-N 401.923 3.153 0 40 HGAB CCS(=O)(=O)N1CCc2cc(C(=O)N3CCC(Cc4ccccc4)CC3)ccc21 13610283 QKRJAOQKLJSZHH-UHFFFAOYSA-N 412.555 3.494 0 40 HGAB CCN(CC)C(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1 13679840 OKGCHDGVBCIBMJ-AWEZNQCLSA-N 407.363 3.404 0 40 HGAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1ccccc1C(=O)NCCCOC 14397286 MLBZITJQMVQQMV-HXUWFJFHSA-N 400.475 3.258 0 40 HGAB CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1cc(OC)c(OC)cc1C(=O)OC 14398651 FEHPFRFCUILCQP-KRWDZBQOSA-N 403.431 3.295 0 40 HGAB Cc1cc(C(=O)N2CCC(c3nc(N4CCCC4)ncc3-c3cc(C)no3)CC2)on1 19123006 BPYMELCGIWALAS-UHFFFAOYSA-N 422.489 3.356 0 40 HGAB Cc1ncn(C23C[C@H]4C[C@H](CC(C(=O)N5CCCN(c6ccccn6)CC5)(C4)C2)C3)n1 19288280 JSPGROHRUYXWAX-TUUBTQOTSA-N 420.561 3.016 0 40 HGAB CNc1cc([C@@H]2CCCN(C(=O)c3ccn(C(F)F)n3)C2)nc(-c2cccnc2)n1 19592193 SNBWYSXUGGASIJ-CQSZACIVSA-N 413.432 3.192 0 40 HGAB CO[C@@H]1CCC[C@@H](NC(=O)Cn2cc(C(=O)c3ccc(F)cc3)c3ccncc32)C1 19592675 WJCUCAPMUANWMK-QZTJIDSGSA-N 409.461 3.480 0 40 HGAB O=C(NC1(c2ccccc2)CCCC1)c1ccc(=O)n(CC(=O)N2CCCCC2)c1 19749351 WGRNRWXQNRKFOY-UHFFFAOYSA-N 407.514 3.060 0 40 HGAB COc1ccc(NC(=O)c2ccccc2N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)c(OC)c1 165718947 XMONYLZSVZIQMT-FJAKRLOMSA-N 420.465 3.492 0 40 HGAB c1csc(-c2nc(N3CCN(Cc4ccncc4)CC3)ncc2-c2cnccn2)c1 105743984 JLNSGGUIQYPKBI-UHFFFAOYSA-N 415.526 3.379 0 40 HGAB COc1ccc(OC)c2sc(N(C[C@H]3CCCO3)C(=O)c3cc(C)nn3C)nc12 9201139 GXIWCIKAPJFHNG-CYBMUJFWSA-N 416.503 3.181 0 40 HGAB O=C(c1ccc2ncn(-c3ccc(Cl)cc3)c2c1)N1CCC[C@H](N2CCNC2=O)C1 558448865 IOSNAGFTIGOQPS-SFHVURJKSA-N 423.904 3.309 0 40 HGAB CCn1c(SCC(=O)NC(=O)NC2CCCC2)nnc1-c1ccc(Cl)cc1 5309189 CKCMPSPHSRISMB-UHFFFAOYSA-N 407.927 3.479 0 40 HGAB CC(=O)N1CCC[C@@]1(Cc1ccccc1-c1ccccc1)C(=O)N1CCN(C)CC1 2037834578 RWMRGMDTORVZQO-RUZDIDTESA-N 405.542 3.051 0 40 HGAB COc1ccc(NC(=O)CSc2nccn(-c3cccc(C)c3)c2=O)c(OC)c1 7615762 CKLGVLYGNYAUAM-UHFFFAOYSA-N 411.483 3.289 0 40 HGAB CCn1c(=O)c2c(nc3n(-c4ccc(Cl)cc4)c(-c4ccccc4)cn23)n(C)c1=O 9713369 SZMDDUKONXDPOH-UHFFFAOYSA-N 419.872 3.479 0 40 HGAB Cc1ncc(CO)c2cc(-c3nc(O)c4c5c(sc4n3)C[C@@H](C)CC5)c(=O)oc12 1775968967 PRYPFJONCSNHBW-VIFPVBQESA-N 409.467 3.491 0 40 HGAB CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)N2CCC[C@H](Cc3nc(C4CC4)no3)C2)C1 220755642 ZRHFTGZLENKVTH-NVXWUHKLSA-N 418.538 3.375 0 40 HGAB O=C(c1cccc(OC[C@@H]2CCCO2)c1)N1CCC[C@@H](c2nnc3ccccn23)C1 40049205 RSUYQYIUIAZDPN-QUCCMNQESA-N 406.486 3.307 0 40 HGAB Cc1ccc(-c2nc(C)c(C(=O)NN3C(=O)NC4(CCC(C)CC4)C3=O)s2)o1 31211417 TTZYJYSOXGFVCS-UHFFFAOYSA-N 402.476 3.165 0 40 HGAB O=C(CSc1ncnc2c1cnn2-c1ccccc1)Nc1ccc2c(c1)OCO2 904727 XHOWQCGJQWKRTR-UHFFFAOYSA-N 405.439 3.275 0 40 HGAB CCC(C)(C)n1nnnc1[C@H](c1cc2cc(OC)ccc2[nH]c1=O)N1CCC(C)CC1 910865 LETANXVINWAUPG-FQEVSTJZSA-N 424.549 3.490 0 40 HGAB c1ccc(Cn2nnc3c(NCc4ccc5c(c4)OCO5)nc(C4CC4)nc32)cc1 1351292 AMPIJBJKDGEQDS-UHFFFAOYSA-N 400.442 3.488 0 40 HGAB CC(=O)c1cccc(NC(=O)C(=O)c2cn(CC(=O)N3CCCC3)c3ccccc23)c1 3007644 HZIGSNDDLKDYLY-UHFFFAOYSA-N 417.465 3.288 0 40 HGAB O=C(NCc1ccc2c(c1)OCO2)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 3425333 LGWHSGCXGVRRCU-INIZCTEOSA-N 400.862 3.237 0 40 HGAB O=C(COC(=O)C1c2ccccc2Oc2ccccc21)NC(=O)NCc1ccco1 3453444 SGRKVFZVDPQNMJ-UHFFFAOYSA-N 406.394 3.086 0 40 HGAB COc1ccc(/C=C2\N=C(S[C@H]3CCOC3=O)N(c3cccc(OC)c3)C2=O)cc1 3502609 YOIAKAGZABNQGK-OVCORXIESA-N 424.478 3.496 0 40 HGAB Cc1ccc2cc(CN(CCCO)C(=S)NCc3ccccc3)c(=O)[nH]c2c1C 4132307 ILYFEXMAQKTXBO-UHFFFAOYSA-N 409.555 3.404 0 40 HGAB O=C(COC(=O)c1cccc(N2C(=O)CCC2=O)c1)Nc1cccc2ccccc12 4352348 QFZDJHMPOQSHRI-UHFFFAOYSA-N 402.406 3.289 0 40 HGAB Cn1c(COc2ccccc2Cl)nnc1SCC(=O)NCCc1ccccc1 4947446 JWEBEWZWAJVKLS-UHFFFAOYSA-N 416.934 3.499 0 40 HGAB Cc1cc(OCC(=O)N(Cc2ccccc2)[C@H]2CCS(=O)(=O)C2)ccc1Cl 5118974 GALXKLKNHFFSLM-KRWDZBQOSA-N 407.919 3.243 0 40 HGAB CCOc1ccccc1NC(=O)CSc1nnc(Cc2ccc(C)cc2)c(=O)[nH]1 5154706 WGJXMSRNSYXFAF-UHFFFAOYSA-N 410.499 3.194 0 40 HGAB COc1ccc([C@@H](C)N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)OCc3ccccc3)[C@H]4C2=O)cc1 5163906 IWQFKCBKKFOHQE-ZZEWGHAASA-N 419.477 3.282 0 40 HGAB Cc1ccc(SCC(=O)Nc2nnc(-c3cccc(S(C)(=O)=O)c3)o2)cc1 5240577 OCNDDAFXDGPLAH-UHFFFAOYSA-N 403.485 3.179 0 40 HGAB Cc1ccc(OCc2nnc(SCC(=O)N(C)C3CCCCC3)n2N)c(C)c1 5321037 GLSCPVGMEXWMKZ-UHFFFAOYSA-N 403.552 3.071 0 40 HGAB Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1ccc2c(c1)NC(=O)[C@H](C)S2 5689707 WZUYWTCRCZFXRN-HNNXBMFYSA-N 410.543 3.432 0 40 HGAB C[C@@H](Oc1ccc(NC(=O)c2ccco2)cc1)C(=O)NCc1ccc2c(c1)OCO2 5959932 WUKDFNWEBVNHDG-CQSZACIVSA-N 408.410 3.344 0 40 HGAB O=C(COc1ccc2c3c(c(=O)oc2c1)CCC3)N1CCN(c2ccccc2)CC1 6124669 MCJSGHHFKCRZKI-UHFFFAOYSA-N 404.466 3.009 0 40 HGAB COc1cc(C)c(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OC 6280517 OIIRQRLVCRRUJX-OQLLNIDSSA-N 400.818 3.332 0 40 HGAB CCc1ccc(OCC(=O)OCC(=O)Nc2sc(C)c(C)c2C(=O)OC)cc1 6653415 NSGYKUBLXCUVPX-UHFFFAOYSA-N 405.472 3.275 0 40 HGAB NC(=O)NC(=O)CSc1nnc(Nc2ccc(Oc3ccccc3)cc2)s1 6788475 LTLNSPSQXCIDAJ-UHFFFAOYSA-N 401.473 3.361 0 40 HGAB O=C(CN1CCC[C@@H]1c1ccc2c(c1)OCCO2)NCCc1c[nH]c2ccccc12 7362576 QKBDTZNIYNNSGD-OAQYLSRUSA-N 405.498 3.435 0 40 HGAB CN(C)c1ccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1 7367037 WPKFTWRRJCROFI-GOSISDBHSA-N 407.923 3.198 0 40 HGAB COc1ccc(OCCNC(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1 7815675 NFTPEXUWEOEJAV-UHFFFAOYSA-N 416.905 3.396 0 40 HGAB COC(=O)CN1C(=O)S/C(=C/c2cccc(OCCOc3ccccc3)c2)C1=O 8092040 ZQWUJRZVGRRWRP-QGOAFFKASA-N 413.451 3.354 0 40 HGAB CN(CC(=O)NC(=O)Nc1ccc2c(c1)OCCO2)Cc1ccc2ccccc2c1 8231734 CWZUTPKJGFDAST-UHFFFAOYSA-N 405.454 3.391 0 40 HGAB Cc1cc(C)cc(N(CC(=O)NCCCOC(C)C)S(=O)(=O)c2ccccc2)c1 8335596 ZEHTWPNXPUHHBD-UHFFFAOYSA-N 418.559 3.430 0 40 HGAB COc1ccc(S(=O)(=O)NCc2ccccc2C)cc1C(=O)N1CCCCC1 8560517 DHOGXUDYTFSORK-UHFFFAOYSA-N 402.516 3.108 0 40 HGAB COc1ccccc1-n1cnnc1SCC(=O)NCCc1c[nH]c2ccccc12 8565832 XWIZZPLFDUPRFQ-UHFFFAOYSA-N 407.499 3.208 0 40 HGAB Cc1cccc2c(=O)n(CCC(=O)OCc3cc(Cl)c4c(c3)OCO4)cnc12 8748267 PBWKOINFVFHGMV-UHFFFAOYSA-N 400.818 3.221 0 40 HGAB O=S(=O)(c1cccs1)N1CCN(c2nc3c(F)cc(F)cc3s2)CC1 8967136 GQMIKHVFAOPTLV-UHFFFAOYSA-N 401.485 3.147 0 40 HGAB CCc1nnc(NC(=O)[C@H]2CC(=O)N(CCc3c[nH]c4ccc(Cl)cc34)C2)s1 9199152 XLOYSFQVJNHPIP-LBPRGKRZSA-N 417.922 3.265 0 40 HGAB COC(=O)c1cc(OC)c(OC)cc1NCC(=O)N[C@H](C)c1ccc(Cl)cc1 9322948 VKHITBWSXHELIN-GFCCVEGCSA-N 406.866 3.433 0 40 HGAB C[C@]1(c2ccco2)NC(=O)N(CC(=O)Nc2ccc(N3CCCCCC3)cc2)C1=O 9549986 UPVJYAFCBVMRHM-JOCHJYFZSA-N 410.474 3.066 0 40 HGAB Cc1ccc(N2CCn3c(SCC(=O)Nc4ccc5c(c4)OCCO5)nnc32)cc1 9651595 AZSMHQULSAQXBJ-UHFFFAOYSA-N 423.498 3.240 0 40 HGAB CCS(=O)(=O)c1ccc(CC(=O)Nc2sc3c(c2C(N)=O)CCCCC3)cc1 10253123 BNPMPEVSCBDYDX-UHFFFAOYSA-N 420.556 3.091 0 40 HGAB CC(C)(Oc1ccc(Cl)cc1)C(=O)NCCS(=O)(=O)N1CCc2ccccc21 10876023 SIVQCMADOJLJBU-UHFFFAOYSA-N 422.934 3.006 0 40 HGAB CC(C)[C@H](NC(=O)c1ccccc1)C(=O)Nc1nc2cc3c(cc2s1)OCCO3 11751800 ZXSIFHUQQDITCV-SFHVURJKSA-N 411.483 3.461 0 40 HGAB Cc1cc(C)cc(OCC(=O)N(Cc2cccc(F)c2)[C@@H]2CCS(=O)(=O)C2)c1 12062688 SFJOFOYUGHTRQG-LJQANCHMSA-N 405.491 3.037 0 40 HGAB CC(C)(C)c1cc(C(=O)N2CCC[C@H](c3nc4ccccc4cc3C(N)=O)C2)[nH]n1 12088388 OBTITSJTTYOKFH-HNNXBMFYSA-N 405.502 3.374 0 40 HGAB CC(=O)Nc1ccc(OCC(=O)N2CCC[C@@H](c3nn(C)c4ncccc34)C2)cc1C 12253772 QMHASQYYSGSLJM-QGZVFWFLSA-N 421.501 3.020 0 40 HGAB NC(=O)c1ccccc1NC(=O)CCCn1nc(-c2ccc(Cl)cc2)ccc1=O 12440908 AXLQBFLVVISQFE-UHFFFAOYSA-N 410.861 3.082 0 40 HGAB Cn1c(=O)c2ccccc2n2c(COc3ccc(Br)cc3F)nnc12 12563503 POQOEJZCJLUGJP-UHFFFAOYSA-N 403.211 3.062 0 40 HGAB Cc1ccc(NC(=O)CN2CCN(C(=O)CCC(=O)c3ccc(C)c(C)c3)CC2)cc1 12754145 MIISFARCFVJCRZ-UHFFFAOYSA-N 421.541 3.358 0 40 HGAB COc1cc(OC)c(OC)cc1CNC(=O)c1nn(-c2ccccc2)c2c1CCC2 12920828 ZXCDIUYAFGYRHF-UHFFFAOYSA-N 407.470 3.317 0 40 HGAB NC(=O)CCn1c(C2CC2)nn(CN2CCC(CCc3ccccc3)CC2)c1=S 12924527 DNHRFCHXCJWLQZ-UHFFFAOYSA-N 413.591 3.469 0 40 HGAB Cc1cc(C)c(NC(=O)CN(C)C(=O)CCNC(=O)NC2CCCCC2)c(C)c1 12934496 KDBKWSNQDTYKDB-UHFFFAOYSA-N 402.539 3.031 0 40 HGAB Cc1nn(C)c2ncc(C(=O)N3CCN(C(=O)c4cccc5ccccc45)CC3)cc12 12981315 QDIBCEPTWMIPTI-UHFFFAOYSA-N 413.481 3.028 0 40 HGAB Cc1ccc(C)n1-c1nc2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc2s1 13548555 YXLQQFZYTYNFFR-UHFFFAOYSA-N 418.526 3.456 0 40 HGAB CCOC(=O)c1c(NC(=O)c2ccccc2N(C)S(C)(=O)=O)sc2c1CCC2 13566689 IQRKOOIWKDKLFY-UHFFFAOYSA-N 422.528 3.062 0 40 HGAB CN(c1ccc2sc(C(=O)N3CCc4ccccc4C3)cc2c1)S(C)(=O)=O 13609827 BLZASIYMRDAFFW-UHFFFAOYSA-N 400.525 3.496 0 40 HGAB CCOC(=O)c1cccc(NC(=O)CN(c2ccc(C)c(C)c2)S(C)(=O)=O)c1C 13613720 GIRTWIZXRQQXCU-UHFFFAOYSA-N 418.515 3.193 0 40 HGAB Cc1nc(NC(=O)CN2CCC(Cc3ccccc3)CC2)nc2c1C(=O)C[C@H](C)C2 13636288 BBVMVOPXMHUQJO-MRXNPFEDSA-N 406.530 3.443 0 40 HGAB CC(C)C(=O)Nc1ccc(C(=O)NCCNC(=O)c2ccc(C(F)(F)F)cc2)cc1 13854445 OEBNLPXXAGJMBP-UHFFFAOYSA-N 421.419 3.460 0 40 HGAB CCCCOCCCNC(=O)[C@@H](C(=O)c1ccccc1)n1cc(Cl)ccc1=O 13940194 BCWJSSNUQRWEGP-LJQANCHMSA-N 404.894 3.249 0 40 HGAB COc1cc(/C=C/C(=O)N2CCN(C)c3nc4ccccc4nc32)cc(OC)c1OC 14900981 DYLWKLOIHXKJHF-MDZDMXLPSA-N 420.469 3.152 0 40 HGAB Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCCCOC(C)C)cc2)cc1 16293349 JDGAVBXIWBXBGZ-UHFFFAOYSA-N 420.531 3.106 0 40 HGAB COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2c(C)cccc2C(C)C)cc1OC 16362248 KWCIMVOZEYBVOP-UHFFFAOYSA-N 420.531 3.395 0 40 HGAB Cc1nc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)Cc2cc(F)ccc2F)cc(=O)[nH]1 19240982 OWOOSSXGHPTMIJ-HXUWFJFHSA-N 422.435 3.481 0 40 HGAB CN(C)C(=O)c1sc2ncccc2c1[C@@H]1CCN(CC(=O)NC2CCCCC2)C1 19702000 GIYNELGZXBIVNY-OAHLLOKOSA-N 414.575 3.236 0 40 HGAB COCC(=O)N1CCC[C@@H]1c1nc(C)c2c(n1)N(CCCc1ccccc1)C(=O)CC2 19740394 JYSZPHGOWOAJEB-HXUWFJFHSA-N 422.529 3.007 0 40 HGAB Cc1nc([C@H]2CCCN(Cc3c(C)nn(-c4ccc(F)cc4)c3C)C2)ncc1C(N)=O 19763440 YCHQEGKQKWTAAF-KRWDZBQOSA-N 422.508 3.205 0 40 HGAB O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](c2ccccc2)N1CCN1CCOCC1 19882251 MLMOQVYKZMPGNP-HXUWFJFHSA-N 424.884 3.324 0 40 HGAB CCCNS(=O)(=O)c1ccc(OCC(=O)N[C@H](C)c2ccc(Cl)cc2)cc1 20019675 ARRBMDQQOSFKDE-CQSZACIVSA-N 410.923 3.285 0 40 HGAB CC[C@H](NC(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O)c1ccc(C)cc1 20481307 JAAQEKMHCIITPM-SFHVURJKSA-N 420.531 3.046 0 40 HGAB COc1ccc(-c2nc3n(n2)[C@@H](CC(=O)Nc2ccc(C)c(Cl)c2)C(=O)N3)cc1 20745698 XYMTUWVJEYCNKJ-INIZCTEOSA-N 411.849 3.438 0 40 HGAB COc1cccc(Nc2nc(N3CCN(c4ccccc4)CC3)nc3c2cnn3C)c1 21873694 WXHRVESFSYVSOQ-UHFFFAOYSA-N 415.501 3.442 0 40 HGAB CCOc1ccccc1-c1noc(Cn2c(=O)n(CC(C)C)c(=O)c3ccccc32)n1 23126760 DSFRKAUOENTRKW-UHFFFAOYSA-N 420.469 3.316 0 40 HGAB C[C@H](SCC(=O)Nc1ccc(F)cc1)C(=O)OCC(=O)N[C@@H](C)c1cccs1 24790683 LKNVCAZCWQIHDG-STQMWFEESA-N 424.519 3.368 0 40 HGAB Cc1nc2ccccn2c1CN1CCN(C(=O)CCc2nc3ccccc3o2)CC1 25065320 ZMEXNUWGDLURSR-UHFFFAOYSA-N 403.486 3.061 0 40 HGAB COc1ccc(CCNC(=O)N(C)Cc2cnn(Cc3ccccc3)c2)cc1OC 25086838 ANVTWTZHOWDMCU-UHFFFAOYSA-N 408.502 3.333 0 40 HGAB CNS(=O)(=O)c1cccc(C(=O)Nc2ccccc2N2CCc3ccccc3C2)c1 25798554 DFAAZLQKEJJREY-UHFFFAOYSA-N 421.522 3.410 0 40 HGAB COc1ccccc1NC(=O)[C@@H](C)N(C)Cc1ccc(C(=O)NCC(F)(F)F)cc1 27297474 AUCXXVJASFWDCP-CQSZACIVSA-N 423.435 3.446 0 40 HGAB Cc1cc(NC(=O)[C@H](OC(=O)c2ccc(-n3cncn3)cc2)c2ccccc2)no1 30022947 OVBRLPUJEKMILW-LJQANCHMSA-N 403.398 3.101 0 40 HGAB COc1ccc(/C=C/C(=O)N[C@H](CN2CCOCC2)c2ccc(C)cc2)cc1OC 30536320 IZANPCWTLXGLLB-FTUXVVSKSA-N 410.514 3.215 0 40 HGAB C[C@H](NC(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1)c1cccc(Br)c1 31286250 GJMPOSBZOKGPDC-ZFWWWQNUSA-N 402.292 3.070 0 40 HGAB C[C@H]1CN(Cc2ccc(C(=O)N3CCN(c4ccc(F)cc4)CC3)cc2)C[C@@H](C)O1 32824518 PAZYSRJQVVYRPR-KDURUIRLSA-N 411.521 3.397 0 40 HGAB Cc1ccc(OCCNC(=O)C[C@@H](NC(N)=O)c2cccc(Br)c2)cc1 32999708 MMRPTHZUDJYEMC-QGZVFWFLSA-N 420.307 3.052 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@H](C)c3ccc(F)cc3)C2)cc1 36092696 VXLDKUPTQULLKH-NVXWUHKLSA-N 420.506 3.112 0 40 HGAB COc1cc(NC(=O)COc2ccc(F)cc2)c(C(=O)N2CCCCC2)cc1OC 40087626 ASZPQYKEGGKLDR-UHFFFAOYSA-N 416.449 3.487 0 40 HGAB COc1cccc([C@@H](CNC(=O)CSCc2ccccc2)N2CCOCC2)c1 42381951 LRFYCSCJGFMOAH-OAQYLSRUSA-N 400.544 3.118 0 40 HGAB CCc1ccccc1O[C@H](C)C(=O)Nc1cc(S(=O)(=O)NC(C)C)ccc1OC 44842714 HHNBODRKLDMZRM-OAHLLOKOSA-N 420.531 3.350 0 40 HGAB O=C(NCC1CC1)[C@@H]1CCCN(Cc2cc(=O)n3c(-c4ccccc4)csc3n2)C1 48303172 HEGBMSRZWOAUGS-GOSISDBHSA-N 422.554 3.161 0 40 HGAB Cc1ccc(NC(=O)Cn2nc3c(Oc4ccccc4C)nccn3c2=O)c(C)c1 49008579 GGFSUUKTEHPZGD-UHFFFAOYSA-N 403.442 3.247 0 40 HGAB CCCCCn1c(=O)c2ccccc2n(CC(=O)Nc2cc(C)ccc2OC)c1=O 51357747 DYYRDOCGTKALFT-UHFFFAOYSA-N 409.486 3.309 0 40 HGAB O=S(=O)(N[C@@H]1Cc2ccccc2[C@@H]1NCc1ccc2c(c1)OCO2)c1ccccc1 58166938 AMPRDAWANTZJSG-OFNKIYASSA-N 422.506 3.149 0 40 HGAB CC(C)(C)NS(=O)(=O)c1ccc(N2CCC[C@@H]2c2ccc3c(c2)OCCO3)nc1 58177866 KSABPUKQRVTSOO-QGZVFWFLSA-N 417.531 3.271 0 40 HGAB CCCn1c(=O)sc2cc(S(=O)(=O)Nc3ccc(OC)c(OC)c3)ccc21 64947113 GAPFTDCUWKPZMT-UHFFFAOYSA-N 408.501 3.291 0 40 HGAB CCc1ccc(-c2cc3c(=O)n(CC(=O)Nc4cc(C)ccc4C)ncn3n2)cc1 67208850 ISHLVYCITXHUAU-UHFFFAOYSA-N 401.470 3.376 0 40 HGAB CC(C)[C@H](Cn1nc(-c2cccs2)ccc1=O)NC(=O)Cn1cnc2ccccc21 72324283 QEKXGSOKRCXTLC-SFHVURJKSA-N 421.526 3.163 0 40 HGAB CCN(C(=O)CN1N=C(c2nc(-c3ccccc3)no2)CCC1=O)c1cccc(C)c1 72329642 HDZKDNIGERPVAE-UHFFFAOYSA-N 417.469 3.425 0 40 HGAB O=C(NCCN1CCCC1)C1(Cc2cc(-c3ccc(F)cc3F)no2)CCOCC1 72394554 DLNACLLPBGRRSX-UHFFFAOYSA-N 419.472 3.171 0 40 HGAB CNC(=O)c1ccc(CN(C)C(=O)c2nn(-c3ccc(C(C)C)cc3)cc2O)cc1 78939033 PYRYKAYHUOFADH-UHFFFAOYSA-N 406.486 3.333 0 40 HGAB CCCC[C@H](C)C[C@H](O)/C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CC(=O)CCCCC(=O)OC 81174731 BBRBUTFBTUFFBU-DMUWJGCQSA-N 410.551 3.379 0 40 HGAB Cc1cc(OC[C@H](O)CN2C(=O)C[C@@]3(CCSC3)C2=O)c(C(C)C)cc1Cl 84077158 QMECXDIEICFUGZ-JLTOFOAXSA-N 411.951 3.394 0 40 HGAB CSCC[C@@H](NC(=O)c1cccc(C)c1)C(=O)N[C@@H](CCO)c1cccs1 89669028 KHYPDSYUJXGVDT-DLBZAZTESA-N 406.573 3.148 0 40 HGAB CC(=O)N1CCC(CN[C@@H](Cc2ccccc2)[C@H](C)NC(=O)OC(C)(C)C)CC1 95432505 SUWVARXENIZMGT-UWJYYQICSA-N 403.567 3.359 0 40 HGAB COc1ccc([C@@H](N)c2n[nH]c(-c3ccc(I)cc3)n2)cc1 95533707 BWSLLLHWEDZYPJ-CQSZACIVSA-N 406.227 3.133 0 40 HGAB CCN(CC)C(=O)C[C@@H]1CC2(CCN(C(=O)c3ccnnc3)CC2)c2ccccc21 96053059 LNILDGRPWXXQJZ-LJQANCHMSA-N 406.530 3.396 0 40 HGAB O=S(=O)(NCCn1ccc(-c2cccs2)n1)c1ccc(OC(F)(F)F)cc1 96103876 CRFRLIKZMDDWRU-UHFFFAOYSA-N 417.434 3.489 0 40 HGAB COC(=O)C[C@@H](c1cc(OC)c(O)c(OC)c1)c1c(O)n[nH]c1Cc1ccccc1 96114286 GWWVCJSJVWLJIB-HNNXBMFYSA-N 412.442 3.124 0 40 HGAB biogenic Cc1sc(C(N)=O)cc1S(=O)(=O)Nc1nc2c(F)c(Cl)ccc2s1 97135124 BLRDHRIKPHAZPW-UHFFFAOYSA-N 405.885 3.358 0 40 HGAB O=C(NCc1ccc(F)cc1F)c1c(O)c2cccnc2n(-c2ccccc2)c1=O 101301788 IVHWYZUSXORSAG-UHFFFAOYSA-N 407.376 3.300 0 40 HGAB COc1ccc(C(=O)OC[C@@H]2CCCN2[C@H](C)C(=O)OC(C)(C)C)c(OC)c1OC 107073127 KNULHXRVYDYISX-CABCVRRESA-N 423.506 3.064 0 40 HGAB COc1ccc(S(=O)(=O)N[C@H](C)c2ccc(C)cc2C)cc1N1C(=O)CCC1=O 222953062 YFJXNJAUFWNWIJ-OAHLLOKOSA-N 416.499 3.005 0 40 HGAB COc1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)c1 223626918 JTRJRHKQMLULCB-NHCUHLMSSA-N 408.527 3.236 0 40 HGAB COc1ccc(N(CC(=O)Nc2ccc3c4c(cccc24)CC3)S(C)(=O)=O)cc1 223649146 OANBAPHXFANVKS-UHFFFAOYSA-N 410.495 3.352 0 40 HGAB CCCC[C@H](CC)CNC(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O 223670798 AUNKPGOECSSAES-AWEZNQCLSA-N 404.960 3.447 0 40 HGAB Cc1ccc(OCCNC(=O)CCCN(c2cccc(F)c2)S(C)(=O)=O)c(C)c1 224800281 CGAGJCRKSGZRMN-UHFFFAOYSA-N 422.522 3.184 0 40 HGAB O=C(Nc1nnc(S(=O)(=O)NC2CCCCCC2)s1)c1ccc(Cl)cc1 225588076 FXFIOHXLCSPRPX-UHFFFAOYSA-N 414.940 3.445 0 40 HGAB O=C(c1nc2ccccc2s1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 226751849 ZTPAVRGGOOBSNR-UHFFFAOYSA-N 421.931 3.096 0 40 HGAB CCCn1c(=O)c(C(=O)Nc2nc(C)c(C(=O)OCC)s2)c(O)c2ccccc21 227163082 MZMQDRJISZKHFU-UHFFFAOYSA-N 415.471 3.311 0 40 HGAB CCOc1cc(CN2[C@H]3CC[C@H]2c2cnc(N4CCCC4)nc2C3)ccc1OCCO 253380850 BWKDWAGFTUJZPT-RXVVDRJESA-N 424.545 3.108 0 40 HGAB O=S(=O)(c1cccnc1)N1CCC[C@H](c2ncc(Cc3ccc(F)cc3)o2)C1 257212977 CFQUWUNXZGVMGU-INIZCTEOSA-N 401.463 3.368 0 40 HGAB CCCc1cc(C(=O)N2CC[C@H](Oc3ccc(Cl)cc3)[C@@H](CC(N)=O)C2)no1 257344376 ZWYMRKDUFUJJFI-UGSOOPFHSA-N 405.882 3.066 0 40 HGAB Cc1nc(CN2C(=O)c3cccn3[C@@H]3CN(Cc4ccc5c(c4)OCO5)C[C@@H]32)cs1 306141548 WAAZINDOPZWKQV-MOPGFXCFSA-N 422.510 3.063 0 40 HGAB COCCCNC(=O)c1ccccc1NC(=O)CSCc1ccc(OC)cc1 408563805 QSVASDNFQNSRNI-UHFFFAOYSA-N 402.516 3.333 0 40 HGAB CCc1cccc(C)c1NC(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC 408703850 ZQHVVSKOXYXSTI-UHFFFAOYSA-N 418.515 3.123 0 40 HGAB FC(F)(F)c1cc(N2CCC(Nc3ncc(Br)cn3)CC2)ncn1 575615254 CRVLFUONQLHIIO-UHFFFAOYSA-N 403.206 3.129 0 40 HGAB O=C(NC[C@@H]1OCCc2cn(Cc3ccccc3)nc21)c1ccc(C(F)(F)F)cn1 585112378 OZCIMCWKXNMMQH-SFHVURJKSA-N 416.403 3.389 0 40 HGAB Cc1nccn1CC(=O)N1CCC[C@@]2(CCCCCOc3ccccc3C(=O)NC2)C1 643559546 RAFASBIZAVYLDM-XMMPIXPASA-N 424.545 3.183 0 40 HGAB COc1ccc2c(c1)CC[C@@H](NC(=O)C1(S(=O)(=O)c3ccc(Cl)cc3)CC1)C2 680240845 CMCBKTMOTFDRPN-QGZVFWFLSA-N 419.930 3.329 0 40 HGAB C=CC(=O)N1CCC(C(=O)NCc2nnc(C(C)(C)C)s2)(c2ccccc2)CC1 1150870511 IRMFWDQUWXSOSD-UHFFFAOYSA-N 412.559 3.198 0 40 HGAB CC(C)n1nc(-c2ccccc2)nc1[C@H]1CC[C@@H](O)[C@H](NC(=O)c2cccnc2)C1 2332241453 OWTOLNGQJDLIAA-DFQSSKMNSA-N 405.502 3.348 0 40 HGAB C[C@@H]1Cc2ccccc2N1C(=O)CSc1nnc2cc(-c3ccccc3)nc(N)n12 1331496 FDAIHFRWYPTYLH-CQSZACIVSA-N 416.510 3.443 0 40 HGAB COc1cccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)c1 1361926 KWPGNHGSTFXJJT-MRXNPFEDSA-N 422.934 3.066 0 40 HGAB COc1ccc(CC(=O)NCCc2ccc(OC)c(OC)c2)cc1Br 1624021 JVRIZFKXHFRQER-UHFFFAOYSA-N 408.292 3.376 0 40 HGAB COc1ccc(CCNc2cc3n(c(=O)n2)CCc2cc(OC)c(OC)cc2-3)cc1 2123041 GICFNTVMIFASKC-UHFFFAOYSA-N 407.470 3.147 0 40 HGAB biogenic COc1ccc(/C=C/C(=O)OCCCCN2C(=O)c3ccccc3C2=O)cc1OC 2630424 AFQIKSPYIGZULW-ZRDIBKRKSA-N 409.438 3.337 0 40 HGAB O=C1CN(C(=O)COc2ccc(C(=O)c3ccc(F)cc3)cc2)c2ccccc2N1 3415363 FRIJIRCUKWJXGI-UHFFFAOYSA-N 404.397 3.421 0 40 HGAB COc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C2)cc1 4512403 LDJGTJHIYBDETH-CQSZACIVSA-N 416.861 3.192 0 40 HGAB COc1ccccc1CCNC(=O)Cc1c(C)c2cc(Cl)c(O)cc2oc1=O 4743001 SZBVZIIVTCYCTM-UHFFFAOYSA-N 401.846 3.370 0 40 HGAB COc1cc(CCC(=O)OCC(=O)Nc2ccc3c(c2)CCC3)cc(OC)c1OC 4806409 OKRKAXKXIMINMH-UHFFFAOYSA-N 413.470 3.316 0 40 HGAB CC(C)(C)NC(=O)[C@@H](c1ccccn1)N(C(=O)c1csnn1)C1CCCCC1 4858845 ASSFMRINIHAUTE-QGZVFWFLSA-N 401.536 3.364 0 40 HGAB c1csc(-c2ccnc(N[C@H]3CO[C@@H]4[C@@H](NCC5CCCCC5)CO[C@H]34)n2)c1 5433879 BTRBQBJILDTZOX-RAUXBKROSA-N 400.548 3.322 0 40 HGAB biogenic,in-vitro COC(=O)COc1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)cc1C 6234994 XPTFHVHBOMXGCD-UHFFFAOYSA-N 403.378 3.366 0 40 HGAB CNC(=O)c1ccc(NS(=O)(=O)c2ccc(Br)cc2Cl)cc1 6316196 PVBJSPGOIMBVGF-UHFFFAOYSA-N 403.685 3.263 0 40 HGAB Cc1ccc(CN(C(=O)c2ccc(Br)cc2)[C@@H]2CCS(=O)(=O)C2)o1 6810284 BRKYYSOMOWNDLG-OAHLLOKOSA-N 412.305 3.180 0 40 HGAB O=C(COc1cc(Cl)ccc1Cl)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 6842722 HWMUCAFECMGCRZ-AWEZNQCLSA-N 406.331 3.331 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(F)c(F)c3)C2)cc1 8077472 VLSKSLYJSVCWGR-ZDUSSCGKSA-N 410.442 3.013 0 40 HGAB CC(C)NC(=O)NC[C@H]1C[C@@H]2CCN1C[C@@H]2c1cc(-c2ccc(N(C)C)cc2)nn1C 8635361 BMKMVLWITVGGTB-TYPHKJRUSA-N 424.593 3.039 0 40 HGAB biogenic,in-vitro Cc1ccc(S(=O)(=O)c2cn(CC(=O)NCc3ccncc3)c3ccccc23)cc1 8865410 OVNAACZHWWDDHF-UHFFFAOYSA-N 419.506 3.494 0 40 HGAB O=C(NCc1ccc(F)cc1)C(=O)NC[C@@H](c1ccsc1)N1CCCCCC1 8893083 FCEDSNTXBGROMK-IBGZPJMESA-N 403.523 3.237 0 40 HGAB CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)Nc2c(C)cccc2C(C)C)cc1 9155003 RLAXPHMMRNWDQJ-UHFFFAOYSA-N 417.531 3.384 0 40 HGAB CNS(=O)(=O)c1ccc(NC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)cc1 9155881 AXODSWPYHYAURG-UHFFFAOYSA-N 413.503 3.050 0 40 HGAB CC[C@@H](CNC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1)c1ccccc1 9806221 BWMMKXCHONOCFS-KRWDZBQOSA-N 419.522 3.035 0 40 HGAB CC[C@H](C)n1c(C)c(C)n2c3c(=O)n(Cc4ccc(Cl)cc4)c(=O)n(C)c3nc12 10104248 NWBRTDFQLIZBEQ-LBPRGKRZSA-N 413.909 3.439 0 40 HGAB CCOc1ccc([C@@H]2c3c(-c4ccc(F)cc4)nnc(O)c3Nc3nnnn32)cc1 10232661 HFMUBUNHZYUYDG-GOSISDBHSA-N 405.393 3.068 0 40 HGAB C[C@H](NC(=O)CCCc1nc2ccccc2c(=O)[nH]1)c1ccc(-n2ccnc2)cc1 12544723 CKBUYNOZRUTMSB-INIZCTEOSA-N 401.470 3.309 0 40 HGAB Cc1cc(N2CCN([C@H](C)C(=O)N[C@H](C)c3ccc(F)cc3)CC2)nc(C(C)C)n1 12746636 QQXKWTJGMZDCJK-QZTJIDSGSA-N 413.541 3.435 0 40 HGAB C[C@@H](Sc1ccc(Cl)cc1)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 13008822 YOXMGMISAIUOOD-OAHLLOKOSA-N 424.975 3.354 0 40 HGAB O=C(Nc1ccc(F)cc1)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)c1 13070232 DZPBVUCSTKKIDT-HNNXBMFYSA-N 412.870 3.189 0 40 HGAB O=C(CSc1ncnc2sccc12)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O 13416611 HYGHBLNECXVOTN-HNNXBMFYSA-N 412.496 3.077 0 40 HGAB Cc1cccc(NC(=O)Cn2c(=O)n(Cc3ccc(F)cc3)c(=O)c3sccc32)c1 13533365 JMTFWZZNHLYSCC-UHFFFAOYSA-N 423.469 3.359 0 40 HGAB C[C@H]1Oc2ccc(NC(=O)C3CCN(C(=O)c4ccc(F)cc4)CC3)cc2NC1=O 14197631 ZOGFJYHTBUBTNK-CYBMUJFWSA-N 411.433 3.036 0 40 HGAB CCOc1ccc(OC[C@@H](O)CSc2nnnn2-c2cccc(C)c2C)cc1 14238311 HWYYZPPYZQDEBZ-MRXNPFEDSA-N 400.504 3.210 0 40 HGAB Cc1cccc(NC(=O)CSc2nnc3nc(O)c(Cc4ccccc4)nn23)c1C 15882049 UOOWHLRUIDANIT-UHFFFAOYSA-N 420.498 3.163 0 40 HGAB Cc1ccc(S(=O)(=O)NNc2nc3ccccc3nc2-n2nc(C)cc2C)cc1 16310401 GVYWIGNNHBUMCT-UHFFFAOYSA-N 408.487 3.046 0 40 HGAB CC(C)C(=O)Nc1ccc(S(=O)(=O)NCCc2ccc(N3CCCC3)cc2)cc1 16847296 GCWOCHYPTBBBSR-UHFFFAOYSA-N 415.559 3.402 0 40 HGAB Cc1ccc(NC(=O)C(=O)NCCCCN2CCO[C@@H](c3ccccc3)C2)cc1F 17120971 DQACSSAWCJIFCV-OAQYLSRUSA-N 413.493 3.043 0 40 HGAB CCc1cccc2c(C(=O)CN3C(=O)C(=O)N(CCc4cccs4)C3=O)c[nH]c12 17225212 BZYQTSAZBWARPE-UHFFFAOYSA-N 409.467 3.008 0 40 HGAB CC(C)CN1CCO[C@H](CSC2=NN/C(=C3\C=Nc4ccccc43)N2C2CC2)C1 18114602 GIFWBCYCFYBIPE-UFVMTTLYSA-N 411.575 3.500 0 40 HGAB Cc1cc(C(=O)N2CCC[C@H](c3nc(N4CCCC4)ncc3-c3cc(C)no3)C2)on1 19122103 FKQIGVQVVRRSME-INIZCTEOSA-N 422.489 3.356 0 40 HGAB COc1ncc(C2(O)[C@H]3CCC[C@@H]2CN(Cc2cn(C)c4ccccc24)C3)c(OC)n1 19290440 FLQMGEYOBBVKKC-QLCVBSLISA-N 422.529 3.105 0 40 HGAB O=C([C@@H]1CCCN(c2ccccn2)C1)N1CCC(c2nnc3n2CCCCC3)CC1 19402029 WWINTBHUAPYVQH-LJQANCHMSA-N 408.550 3.022 0 40 HGAB CC1(C)C[C@@H](N(Cc2ccccc2)C(=O)c2ccc(Cn3cnnn3)cc2)CCO1 19665686 OLLIQKXXFGCCDE-NRFANRHFSA-N 405.502 3.321 0 40 HGAB CCOc1ccc([C@@H]2Nn3c(C)nnc3S[C@@H]2C(=O)N2CCCCCC2)cc1 20068843 IJCUGNBVKCFMJU-ROUUACIJSA-N 401.536 3.147 0 40 HGAB CCOc1ccccc1CNC(=O)CN(c1cccc2ccccc12)S(C)(=O)=O 20459778 JNQISQVKAOMHEA-UHFFFAOYSA-N 412.511 3.321 0 40 HGAB CCOC(=O)[C@](NC(=O)c1ccccc1OCC)(Nc1ccccn1)C(F)(F)F 20792309 OZQIYYDYCHPQEH-GOSISDBHSA-N 411.380 3.144 0 40 HGAB CC(=O)N/C(=C/c1ccccc1)C(=O)OCC(=O)c1ccc(Br)s1 20861151 FCOOZVONQZWLMX-UKTHLTGXSA-N 408.273 3.414 0 40 HGAB O[C@H](COc1ccc(-c2ccccc2)cc1)CN1CCN(Cc2ccccn2)CC1 22242580 HBEFQHWJTDPXAJ-DEOSSOPVSA-N 403.526 3.306 0 40 HGAB CS(=O)(=O)N(CC(=O)NCCCc1ccc(F)cc1)c1ccc(F)c(Cl)c1 22365555 KTXKKZOCTIECBG-UHFFFAOYSA-N 416.877 3.133 0 40 HGAB Cc1cccc(C)c1NC(=O)CN1CCN(Cc2nnc(-c3ccc(F)cc3)o2)CC1 22929837 IHOPDDHBIWPZAC-UHFFFAOYSA-N 423.492 3.249 0 40 HGAB C[C@@H](Sc1nccn1-c1ccc(Br)cc1)c1nc(N)nc(N(C)C)n1 25034723 YGYQLLRBVGHXFB-SNVBAGLBSA-N 420.340 3.321 0 40 HGAB O=C(NC12CC3CC(CC(C3)C1)C2)[C@@H]1CS[C@H](Cc2ccc(F)cc2)C(=O)N1 25594086 JDIQFYSLEXJIDB-WJEFAGDFSA-N 402.535 3.053 0 40 HGAB Cc1cccc(C)c1OCC(=O)NC[C@@H](c1ccc(Cl)cc1)N1CCN(C)CC1 27793246 VSDNSRRDXDESDD-NRFANRHFSA-N 415.965 3.441 0 40 HGAB O=C(Nc1ccc(F)cc1F)Nc1nc2ccccc2n1CCN1CCOCC1 32501876 AMQZISHLOVGBBF-UHFFFAOYSA-N 401.417 3.291 0 40 HGAB COc1ccc(CNC(=O)N(Cc2ccccc2)S(=O)(=O)c2cccnc2)cc1 32642677 AKMKWQASELTZBL-UHFFFAOYSA-N 411.483 3.191 0 40 HGAB COc1ccc([C@H](NC(=O)CCc2c(C)c3c(C)nn(C)c3[nH]c2=O)C2CC2)cc1 32827332 BBXDIKRCWNAABP-OAQYLSRUSA-N 408.502 3.087 0 40 HGAB CCCCn1nc(C(=O)N(C)C[C@H]2COc3ccccc3O2)c2ccccc2c1=O 32966895 NOQJIMLYLPDAOX-INIZCTEOSA-N 407.470 3.109 0 40 HGAB CCOc1cc(C(=O)Nc2ccc(C)c(-n3cnnn3)c2)cc(OCC)c1OCC 33081948 QBBJQARBLAYDMB-UHFFFAOYSA-N 411.462 3.419 0 40 HGAB COc1cc(CS(=O)(=O)CC(=O)Nc2ccc(F)cc2F)ccc1OC(F)F 40106110 ABRTYDHORZPLLU-UHFFFAOYSA-N 421.368 3.128 0 40 HGAB CCC(=O)N1CCC[C@@H](C(=O)OCC(=O)Nc2ccccc2SC(F)F)C1 40150452 LYQPFAQHIYKXSW-GFCCVEGCSA-N 400.447 3.132 0 40 HGAB C[C@H]1C[C@@H](C)CN(Cc2ccc(CNC(=O)c3ccc(S(C)(=O)=O)cc3)cc2)C1 48310879 DWGDDUAHLDNZPL-HDICACEKSA-N 414.571 3.498 0 40 HGAB CC[C@H](C)C(=O)Nc1cccc(CNC(=O)C2CCN(C(=O)c3ccco3)CC2)c1 48343555 AVMJDIPKLVLVSG-INIZCTEOSA-N 411.502 3.433 0 40 HGAB COc1ccc([C@@H](C)NC(=O)Cn2cc(-c3ccccc3)c(N3CCOCC3)n2)cc1 62006884 MNOAUACEXRSETF-GOSISDBHSA-N 420.513 3.273 0 40 HGAB Cc1cc(=O)[nH]c(SCC(=O)Nc2nc3cccc(OC(F)(F)F)c3s2)n1 67350726 UGFWPJGOUXBLBN-UHFFFAOYSA-N 416.406 3.317 0 40 HGAB Cc1ccccc1OCCNC(=O)C(=O)Nc1ccc(C(=O)Nc2ccccc2)cc1 69596698 MPWLAFWUZSLQKW-UHFFFAOYSA-N 417.465 3.381 0 40 HGAB CS(=O)(=O)c1cccc(-c2nnc(C3(c4cccc(F)c4)CCOCC3)o2)c1 71889935 XTWRSFMZEBYDCS-UHFFFAOYSA-N 402.447 3.376 0 40 HGAB O=C([C@H]1CCCO1)N1CCC[C@H](c2nc(N3CCCC3)ncc2-c2cccnc2)C1 72347995 MFLQWYOOOHOELX-AZUAARDMSA-N 407.518 3.024 0 40 HGAB CO[C@H](C)c1noc(CCC(=O)Nc2cc(F)ccc2Sc2nccn2C)n1 79015654 QEFGRYFMNUIRCC-LLVKDONJSA-N 405.455 3.372 0 40 HGAB C[C@@H](CNC(=O)/C=C(/c1ccc(Cl)cc1)C(F)(F)F)CN1CCN(C)CC1 79110317 RGNKTEVLEBRZTF-FMNVXAMXSA-N 403.876 3.285 0 40 HGAB COCCN(C)CC[C@H](NC(=O)C(=O)Nc1ccc(Cl)cc1F)c1ccccc1 83859401 WTGNMFGTFPEIHA-SFHVURJKSA-N 421.900 3.243 0 40 HGAB CCOC(=O)c1cccc(C(=O)c2ccccc2CN2CCC3(CC2)OCCO3)c1 85651547 PHMPDDNUHSGARH-UHFFFAOYSA-N 409.482 3.433 0 40 HGAB CC(C)(C)CN(C[C@@H](O)c1ccccc1)S(=O)(=O)c1ccc2c(c1)OCCO2 95461972 ZHPGQDCXHOEXFU-GOSISDBHSA-N 405.516 3.228 0 40 HGAB CC[C@H]1CCc2ccccc2N1S(=O)(=O)c1ccc(OCc2ncnn2C)cc1 95972385 OXGBJBPQPXHPLS-KRWDZBQOSA-N 412.515 3.314 0 40 HGAB CCOc1cc(CCC(=O)NC[C@H]2CC[C@H](c3ccnc4cc(C)nn43)CC2)on1 100159404 VJWVCLKZOPRAGD-CALCHBBNSA-N 411.506 3.447 0 40 HGAB O=C(NCCCn1ccnc1)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccco1)N2 100619423 KEOOPWCVXLHHMW-DOMZBBRYSA-N 408.384 3.153 0 40 HGAB C[C@@H](C(=O)Nc1ccc(Br)c(Cl)c1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 101066292 WLLBJVPIVFZLBR-QMMYFYAZSA-N 423.694 3.237 0 40 HGAB Cc1ccc(N2C(=O)[C@H]3NN=C(C(=O)C(c4ccccc4)c4ccccc4)[C@@H]3C2=O)cc1 101363390 UPGCEOUJBIHTMY-GMAHTHKFSA-N 423.472 3.213 0 40 HGAB Cn1ccs/c1=N\C(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1 102785631 RTSBPLSLFNBRFO-MNDPQUGUSA-N 406.261 3.436 0 40 HGAB COc1cccc(NC(=O)c2cnn3c2NC(C(=O)O)=C[C@@H]3c2ccccc2OC)c1 102810736 IGMXFSZMLRRHJX-GOSISDBHSA-N 420.425 3.136 0 40 HGAB CC(C)(C)c1ccc(OCCNC(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1 102913053 IPDYUAUCNDBCLA-OALUTQOASA-N 400.519 3.044 0 40 HGAB COc1cccc(N([C@H](C)C(=O)N[C@@H](C)c2cc(C)ccc2C)S(C)(=O)=O)c1 220176403 ASCMNIRHSOKVBL-DLBZAZTESA-N 404.532 3.344 0 40 HGAB COc1ccc(OC)c(N(C)S(=O)(=O)c2ccc(OC)c(Br)c2)c1 224878935 ZTWZXDWSVGXONI-UHFFFAOYSA-N 416.293 3.300 0 40 HGAB O=C(NCc1nncn1-c1ccc(Cl)cc1)c1ccc(O[C@@H]2CCSC2)nc1 225717583 UKZGIXIVTZOEHK-MRXNPFEDSA-N 415.906 3.130 0 40 HGAB COc1ccc2c(c1)C(=O)CC1(CCN(S(=O)(=O)Cc3ccc(F)cc3)CC1)O2 225821492 VKKZLIVVJZXETG-UHFFFAOYSA-N 419.474 3.164 0 40 HGAB COc1ccc2c(c1)O[C@@]1(C[C@H]3CC[C@H]1C[C@H]3C(=O)NCCc1ccccc1)NC2=O 247965770 SCGUHDRBLOOLMO-ONFALJKLSA-N 420.509 3.309 0 40 HGAB C[C@H](CCC(=O)O)[C@@H]1CC[C@@H]2[C@@H]3[C@H](C[C@H](O)[C@]12C)[C@]1(C)CC[C@H](O)C[C@H]1C[C@H]3O 253609708 BHQCQFFYRZLCQQ-CJKPGQEWSA-N 408.579 3.449 0 40 HGAB CC(=O)N[C@H]1CC[C@](CNC(=O)c2c(F)cccc2F)(c2ccccc2)CC[C@@H]1O 257223356 DWYXMCRNPNRWCA-JTAQYXEDSA-N 416.468 3.072 0 40 HGAB CC(C)n1cnc([C@@H]2CN(Cc3ccco3)C[C@@]23CCN(Cc2cccnc2)C3=O)c1 306125588 CVBLCHSCFSZWEY-URXFXBBRSA-N 419.529 3.470 0 40 HGAB CCOC(=O)c1ccc(-c2ccc(/C=c3/sc4nc5cccnc5n4c3=O)o2)cc1 408990473 WFMQCZMYEXTMQP-LDADJPATSA-N 417.446 3.289 0 40 HGAB Cc1cccc(C(=O)N[C@@H](C)c2nnc(SCC(=O)NC3CCCCC3)n2C)c1 409142271 XMNYMTATKBLZBS-HNNXBMFYSA-N 415.563 3.156 0 40 HGAB C[C@@H]1C[C@@H](C)CN(C(=O)c2nc3c(o2)CCN(C(=O)c2ccc(N(C)C)cc2)C3)C1 585112129 MJVUNYAVJUZHBI-HZPDHXFCSA-N 410.518 3.057 0 40 HGAB CSCC[C@@H](N)C(=O)N1CCC(c2nc(C)cc(Nc3ncc(C)s3)n2)CC1 585263570 QCJSWBMQUZEOSB-OAHLLOKOSA-N 420.608 3.080 0 40 HGAB O=C(CN1CCC[C@H]1C[C@H]1C[C@H]2CC[C@H]1C2)NCC(=O)Nc1ccc(F)c(F)c1 1190741323 FGJBJDBKFFOUKL-CUSZFKRNSA-N 405.489 3.310 0 40 HGAB C[C@@H](NC(=O)c1cc2c(cc1Cl)NC(=O)CO2)c1cccc(N2CCOC2=O)c1 1633909402 DKOYYTDQSYDQLK-LLVKDONJSA-N 415.833 3.119 0 40 HGAB O=S(=O)(c1cccc2cccnc12)N1CCC(COc2ccc(C3CC3)nn2)CC1 1775965654 INJKRJMGZZQGRX-UHFFFAOYSA-N 424.526 3.382 0 40 HGAB CN1C(=O)COc2ccccc2CCCCO[C@H]2CN(Cc3ccc(F)cc3)C[C@@H]21 2037981172 XVKOZTFMAVBBHF-GMAHTHKFSA-N 412.505 3.269 0 40 HGAB O=S(=O)(c1ccc(I)cc1)N1CCS[C@@H]1c1ccco1 629220 PACKNIZYGMLQMA-CYBMUJFWSA-N 421.281 3.321 0 40 HGAB CCOc1ccccc1NC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OC)c(OC)c1 641233 HGXCQTDESVAZSJ-HXUWFJFHSA-N 411.458 3.369 0 40 HGAB C[C@@H]1CCc2c(sc3nnn(CC(=O)Nc4ccc(F)c(Cl)c4)c(=O)c23)C1 941416 UXALLKYGOYSWDS-SECBINFHSA-N 406.870 3.409 0 40 HGAB COc1cccc(N(CC(=O)NC2CCCC2)S(=O)(=O)c2ccc(C)cc2)c1 979029 MAJYGEKPZICOSU-UHFFFAOYSA-N 402.516 3.258 0 40 HGAB CCCC(=O)N(c1ccc2oc(=O)sc2c1)S(=O)(=O)c1ccc(C(=O)O)cc1 1926404 SPLJRXWDYFIMNP-UHFFFAOYSA-N 421.452 3.075 0 40 HGAB COCCn1c(N)c(S(=O)(=O)c2ccc(Cl)cc2)c2nc3ccccc3nc21 2429280 QUWNIDXTYCYYGI-UHFFFAOYSA-N 416.890 3.299 0 40 HGAB COc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)cc1OC 2658280 OSXNIOOSMREYKQ-UHFFFAOYSA-N 418.515 3.439 0 40 HGAB Cc1ccc2nc(NC(=O)c3ccn(Cn4nnc(-c5ccccc5)n4)n3)sc2c1 2793684 UYCIMUSQBAAXID-UHFFFAOYSA-N 416.470 3.213 0 40 HGAB CCOc1ccc(N2C[C@H](C(=O)Oc3ccc4c(C)cc(=O)oc4c3)CC2=O)cc1 3345319 MNRAEQUGYWONJR-OAHLLOKOSA-N 407.422 3.459 0 40 HGAB O=C1Nc2ccc(-c3ccccc3)cc2C(=O)N2CCN(C(=O)c3cccs3)C[C@H]12 4235900 RJSJLGLZEUJCDZ-LJQANCHMSA-N 417.490 3.334 0 40 HGAB biogenic,in-vitro CCCCn1c(=O)c2c(nc3n2C[C@H](C)CN3c2ccc(Cl)cc2)n(C)c1=O 4249273 XAXJKYVUHIXDPD-CYBMUJFWSA-N 401.898 3.138 0 40 HGAB Cc1cc(S(=O)(=O)NCC(c2ccccc2)c2ccccc2)ccc1-n1cnnn1 4847958 WJWUVMOEHKNWMA-UHFFFAOYSA-N 419.510 3.081 0 40 HGAB O=C(N[C@@]1(C(F)(F)F)N=C(O)N(c2ccccc2F)C1=O)c1ccccc1Cl 5942083 RHAWPMSMAOKCGE-MRXNPFEDSA-N 415.730 3.428 0 40 HGAB CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCC(C)C)cc2)cc1 6207642 IFQLBGBRYPVLDB-UHFFFAOYSA-N 406.504 3.037 0 40 HGAB COc1ccc(Nc2nc(Nc3ccc(OC)cc3)nc(N[C@@H](C)C(=O)O)n2)cc1 7498917 ADSZBQJHJGFLEB-LBPRGKRZSA-N 410.434 3.261 0 40 HGAB CCOc1ccccc1N1C[C@@H](C(=O)OCC(=O)Nc2ccccc2CC)CC1=O 8039823 JEMMHLREESNWAX-KRWDZBQOSA-N 410.470 3.183 0 40 HGAB Cc1ccc(-c2nc(S(=O)(=O)c3ccc(F)cc3)c(N3CCOCC3)o2)cc1 8844562 GGCRDPOARGJZTN-UHFFFAOYSA-N 402.447 3.459 0 40 HGAB CC(=O)NCc1ccc(-c2csc(NC(=O)c3cc(C(C)=O)cn3C)n2)s1 8848205 QYDPYMVXAFGLCY-UHFFFAOYSA-N 402.501 3.301 0 40 HGAB CCn1c(CC(=O)Nc2cccc(C)c2C)nnc1SCC(=O)NC1CCCC1 9614947 LHTBZVNZNGEXRU-UHFFFAOYSA-N 415.563 3.247 0 40 HGAB COc1ccc([C@H]2c3c(-c4ccc(Cl)cc4)nnc(O)c3Nc3nnnn32)cc1 10232682 UTYMYETXRPGUCO-KRWDZBQOSA-N 407.821 3.192 0 40 HGAB CC(C)Oc1ccc(C(=O)NCC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)cc1 10446473 QBVUSFBIAWUYOB-UHFFFAOYSA-N 423.513 3.081 0 40 HGAB C[C@H]1C[C@@H](C)CN(CCCNC(=O)c2ccccc2I)C1 10542907 MQOZGZAUGIFGSV-OKILXGFUSA-N 400.304 3.389 0 40 HGAB COc1ccc(-c2cc3nc([C@@H](C)NC(=O)c4ccc5c(c4)OCO5)nn3cn2)cc1 12085079 BBIJGSNPOVRIDF-CYBMUJFWSA-N 417.425 3.020 0 40 HGAB COc1ccc(CN2CC=C(n3c(C)nc(=O)c4ccccc43)CC2)c(OC)c1OC 12143920 ZVQBWSJBAMIUJR-UHFFFAOYSA-N 421.497 3.478 0 40 HGAB CC1(C)Cc2nc(-c3ccncc3)ncc2[C@H](NC(=O)C[C@H]2CC(C)(C)OC2=O)C1 12221161 ZPHJXZPTTLSIJH-DOTOQJQBSA-N 408.502 3.400 0 40 HGAB CCCc1ncc(CN2CCC[C@@H]([C@@H]3CN(C(C)=O)Cc4ccccc4O3)C2)cn1 12235570 WARHGDVHAMOJPZ-OFNKIYASSA-N 408.546 3.451 0 40 HGAB O=C(Cc1coc(-c2ccccc2)n1)NCC(=O)Nc1ccccc1Br 12599012 ABUHUCOOWXUFPT-UHFFFAOYSA-N 414.259 3.402 0 40 HGAB C[C@H](NC(=O)CCNS(=O)(=O)c1ccc(Cl)cc1)c1ccc(F)c(F)c1 12764321 NXAYORGKQSJLNL-NSHDSACASA-N 402.850 3.164 0 40 HGAB COc1ccc(CNC(=O)[C@H](c2ccccc2)N(C(=O)c2csnn2)C2CC2)cc1 12872904 KCVNTYFHVFRRFG-FQEVSTJZSA-N 422.510 3.209 0 40 HGAB O=C(NCC(=O)N1Cc2cc3c(cc2C2(CCCC2)C1)OCCO3)C1CCCCC1 12984988 ZCVFUSZUICNXNP-UHFFFAOYSA-N 412.530 3.308 0 40 HGAB CC(C)(C)NC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C1 13677991 RDFRJJYDVHUUDE-GFCCVEGCSA-N 407.363 3.450 0 40 HGAB CCOc1ccc(NC(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)cc1OC 14093227 YXUXAUGUDFJASM-UHFFFAOYSA-N 406.504 3.377 0 40 HGAB CN1C(=O)Cc2cc(C(=O)CSc3nnc([C@@H]4COc5ccccc5O4)o3)ccc21 14141928 WVURIJSPPQRRBF-SFHVURJKSA-N 423.450 3.076 0 40 HGAB C/C=C/c1ccc(OC[C@H](O)CN2C(=O)NC3(CCCCCC3)C2=O)c(OC)c1 14234680 RUOBHIFICMPCBY-DLGAGEGBSA-N 402.491 3.113 0 40 HGAB CN1CCN(C(=O)COc2cccc(Br)c2)c2nc3ccccc3nc21 14900945 XNDKFJKGNDMQBS-UHFFFAOYSA-N 413.275 3.254 0 40 HGAB CC(=O)Nc1ccc(S(=O)(=O)N(C)Cc2ccccc2N2CCCCC2)cc1 15364931 VOAHVSINLLXKIH-UHFFFAOYSA-N 401.532 3.456 0 40 HGAB O=C(CCOc1ccccc1)Nc1ccc(S(=O)(=O)NCc2ccco2)cc1 15438082 NKQMDZHPYVMWHK-UHFFFAOYSA-N 400.456 3.166 0 40 HGAB Cc1[nH]nc2c1[C@H](c1cnn(C)c1)c1c(ncn3nc(-c4ccccc4Cl)nc13)O2 17091670 ASMQHNSLUTZJIY-HNNXBMFYSA-N 418.848 3.496 0 40 HGAB COc1ccc(S(=O)(=O)CCC(=O)N2CCc3[nH]c4c(C)cccc4c3C2)cc1 19236561 OMDNYRFYLXSZRI-UHFFFAOYSA-N 412.511 3.234 0 40 HGAB Fc1ccc([C@H](c2nnnn2Cc2ccco2)N2CCN(c3ccccc3)CC2)cc1 19372954 CZBFSUKUAABUAD-JOCHJYFZSA-N 418.476 3.365 0 40 HGAB Cc1[nH]c2c(C(=O)N3CCO[C@@H](c4nc(-c5ccncc5)no4)C3)cccc2c1C 19576908 ATPOKBRDJQBLDF-GOSISDBHSA-N 403.442 3.443 0 40 HGAB COCC(=O)N1CCC[C@@](Cc2cccc(-c3cccs3)c2)(C(=O)N(C)C)C1 19579118 FCHDULQRPDKVCU-QFIPXVFZSA-N 400.544 3.301 0 40 HGAB COc1ccccc1CN(Cc1cnc(N2CCOCC2)s1)C1CCN(C)CC1 19664458 AXHBPVIHVPQRFV-UHFFFAOYSA-N 416.591 3.085 0 40 HGAB O=C(CCN1CCC(c2ccc(Cc3ccccc3F)cn2)CC1)N1CCOCC1 19690271 LIALWKAXDMOLEM-UHFFFAOYSA-N 411.521 3.240 0 40 HGAB COc1ccc(-c2cc(C)nc([C@@H]3CCCN3S(=O)(=O)c3cn(C)cn3)c2)cc1 19690751 JJJWZVZFLFWSQE-FQEVSTJZSA-N 412.515 3.325 0 40 HGAB COc1ccc(-c2nc([C@@H]3CCCN(C(=O)CC4CCCC4)C3)[nH]c2C(N)=O)cc1 19698961 GWGOPEOSULZGMT-QGZVFWFLSA-N 410.518 3.471 0 40 HGAB Cc1nc2c(C)cccn2c1C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 19717028 KTSDMZAGJDGPHG-UHFFFAOYSA-N 412.515 3.378 0 40 HGAB Cc1ccccc1[C@H](NC(=O)CN1C(=O)c2ccccc2S1(=O)=O)c1ccccc1 20111952 YATIHNVMUYPTJV-JOCHJYFZSA-N 420.490 3.045 0 40 HGAB CCOC(=O)C1CCN(CCC(=O)Nc2ccc(Br)cc2F)CC1 22197923 YLTCXBYMTYCEPR-UHFFFAOYSA-N 401.276 3.192 0 40 HGAB CC(C)N(C(=O)CN1Cc2ccccc2C[C@@H]1C(=O)N1CCCC1)c1ccccc1 22406648 NTLNKDDIMUPGNS-HSZRJFAPSA-N 405.542 3.477 0 40 HGAB COc1ccc(CN(C)C(=O)C23C[C@@H]4C[C@@H](CC(NC(C)=O)(C4)C2)C3)c(OC)c1 23494657 ZQCCCWRVGFYXAV-WDXRGRCHSA-N 400.519 3.137 0 40 HGAB COc1ccc(CN2CCN(C(=O)CNC(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1 24119059 JTGYRLHKRUVKET-UHFFFAOYSA-N 423.557 3.067 0 40 HGAB O=C(NCCC1=CCCCC1)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1 24609656 FMQJGGHDOVEWIQ-UHFFFAOYSA-N 408.539 3.374 0 40 HGAB CCc1ccc(Cl)c(CC)c1NC(=O)CSc1nnnn1C[C@H]1CCCO1 25055377 JAMATFXQOPCPIV-CYBMUJFWSA-N 409.943 3.361 0 40 HGAB Cc1cccc(C)c1OCC(=O)NC[C@H](c1ccc(Cl)cc1)N1CCN(C)CC1 27793249 VSDNSRRDXDESDD-OAQYLSRUSA-N 415.965 3.441 0 40 HGAB Cc1oc(-c2cccs2)nc1CC(=O)Nc1ccc(S(=O)(=O)NC2CC2)cc1 29411270 IWDYUHWLYBAJDJ-UHFFFAOYSA-N 417.512 3.333 0 40 HGAB COc1cc(NC(=O)CSc2nc(CN(C)C)nc3ccccc23)cc(OC)c1 31619073 POMWBHGBNFGEJO-UHFFFAOYSA-N 412.515 3.439 0 40 HGAB O=C(CCS(=O)(=O)c1ccc(Cl)cc1)NCc1ccc(-c2ccn[nH]2)cc1 32933238 VTGPZVRPNPLCCH-UHFFFAOYSA-N 403.891 3.210 0 40 HGAB Cc1ccccc1C(=O)N[C@H](CC(C)C)c1n[nH]c(=S)n1CCN1CCOCC1 32934882 UMQSXVXAEDPHMU-GOSISDBHSA-N 417.579 3.099 0 40 HGAB O=C1CN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)C[C@@H]2c3ccccc3CCN12 36108735 WMJGVIQYBFGLTN-QGZVFWFLSA-N 411.310 3.124 0 40 HGAB Cc1ccc(NS(=O)(=O)CCNC(=O)c2ccc(Br)cc2)cc1F 36392280 CJOSMYTWIBGINT-UHFFFAOYSA-N 415.284 3.068 0 40 HGAB CC(C)c1ccccc1OC[C@@H](O)Cn1cnc2c(cnn2-c2ccc(F)cc2)c1=O 40050623 UVQMNISEDIIFSV-SFHVURJKSA-N 422.460 3.285 0 40 HGAB Cc1ccc(CCCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2C)cc1 40140254 KRRDMRIVDCCSCN-UHFFFAOYSA-N 416.543 3.286 0 40 HGAB COc1cc(C(=O)N2CCN(C(=O)COc3ccc(Cl)cc3C)CC2)ccc1C 40145820 IRWNHMQFSGRALX-UHFFFAOYSA-N 416.905 3.329 0 40 HGAB CC[C@@H]1CCCCN1c1nc2c(c(=O)[nH]1)[C@@H](C(=O)Nc1ccc(C)c(C)c1)CC(=O)N2 40390576 YTAPRQJTJUGENL-SJORKVTESA-N 423.517 3.220 0 40 HGAB CC(C)Oc1cccc(CNC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)c1 44847061 OHIBNEUCHZCYTF-UHFFFAOYSA-N 422.572 3.252 0 40 HGAB O[C@H](CN1CCCN(c2ncccn2)CC1)Cn1c2ccccc2c2ccccc21 61721956 JNAKPEFQAFTWNI-LJQANCHMSA-N 401.514 3.158 0 40 HGAB CC1(C)CN=C(N2CCN(c3ncnc4ccc(Br)cc34)CC2)S1 79064101 RZLKHJQGAFZKID-UHFFFAOYSA-N 406.353 3.396 0 40 HGAB CC[C@H](C)N1C(=O)c2ccccc2[C@H](C(=O)NCCC(=O)OC)C12CCCCC2 79474369 VYUULQKCPSFQPF-OXJNMPFZSA-N 400.519 3.407 0 40 HGAB O=C(c1cccc(=O)n1CCOc1ccccc1Cl)N1CCO[C@H]2CCCC[C@H]21 89814512 ZHAURTIEAFQFMT-XLIONFOSSA-N 416.905 3.364 0 40 HGAB CCN(C(=O)c1cc(C2CC2)nc2ccc(OC)cc12)[C@@H](C)CS(=O)(=O)CC 89960776 XYMNQPQPLBMYPW-AWEZNQCLSA-N 404.532 3.406 0 40 HGAB CCOc1ccc([C@H](N)c2nc(-c3cc(Br)ccc3O)n[nH]2)cc1OC 95534278 VMZJXZVMIXGGHU-INIZCTEOSA-N 419.279 3.395 0 40 HGAB O=C(O)c1cnn([C@H]2CCCN(C(=O)C3(c4cccc(Cl)c4)CCOCC3)C2)c1 95982558 OKVPLRUTRSEKMN-SFHVURJKSA-N 417.893 3.147 0 40 HGAB CCN(C)C(=O)c1ncn2c(C3CCN(Cc4ccc(OC)cc4)CC3)ccnc12 96155733 PVRIJMMZDNDSKV-UHFFFAOYSA-N 407.518 3.209 0 40 HGAB CC(C)(C)c1cc2nccc([C@H]3CC[C@H](CNS(=O)(=O)N4CCCC4)CC3)n2n1 100159320 ICEVWFKNTMCVEO-CALCHBBNSA-N 419.595 3.231 0 40 HGAB COc1ccc(-c2cc(C(F)(F)F)nc(S[C@H]3CC(=O)[C@@H]4OC[C@@H]3O4)n2)cc1 101066107 FVQZTNDUBJENLU-OFQRWUPVSA-N 412.389 3.346 0 40 HGAB Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(C)c(C)c3)C(=O)[C@@H]2[C@H]2CCCN21 101341862 ZZFPRVRWYARAIA-NAZDKBRTSA-N 415.493 3.043 0 40 HGAB O=C(CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 102327808 YVIHJDKZQNSBST-CHWSQXEVSA-N 417.437 3.368 0 40 HGAB Cc1nnc(N2C(=O)c3ccc(C(=O)O[C@H](C)C(=O)c4ccccc4)cc3C2=O)s1 138552294 LIPDYUZBWDGSCF-LLVKDONJSA-N 421.434 3.075 0 40 HGAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(C)c(N(C)S(C)(=O)=O)c1 222453475 FNBDIMJUOZLSCX-HNNXBMFYSA-N 417.531 3.171 0 40 HGAB COc1cc(C)c(S(=O)(=O)N(C)Cc2nc(-c3cccc(C)c3)no2)c(C)c1 223142310 OACVKZRDHYWLEJ-UHFFFAOYSA-N 401.488 3.491 0 40 HGAB Cn1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c1 223953968 KLHXSDOBWRELEC-FGZHOGPDSA-N 419.554 3.434 0 40 HGAB CS(=O)(=O)N[C@H](CC(=O)N1CCC(Cc2ccccc2)CC1)c1ccc(F)cc1 225947032 DQSCMRIIIGOVPG-OAQYLSRUSA-N 418.534 3.287 0 40 HGAB O=C(c1ccc(N2CCOCC2)cc1)N1CC[C@H](Oc2ccc3ccccc3n2)C1 252498971 RRZCLVHBYUDZQZ-NRFANRHFSA-N 403.482 3.365 0 40 HGAB CCc1ccc(S(=O)(=O)N2CC[C@]3(C[C@H]3C(=O)Nc3cccc(F)c3)C2)cc1 253605950 QZQJKKDRPXXYTJ-FPOVZHCZSA-N 402.491 3.428 0 40 HGAB CN(C)C(=O)c1sc2nc([C@H]3CCCCN3C(=O)C3CCOCC3)ccc2c1N 257286890 PNMRGYRGJGTCQV-MRXNPFEDSA-N 416.547 3.061 0 40 HGAB COc1ccc(-c2csc(NC(=O)CN3CC[C@@]4(CCCO4)[C@@H](OC)C3)n2)cc1 257289001 PWOSLNNRMBGAGK-RXVVDRJESA-N 417.531 3.027 0 40 HGAB Cc1ncccc1C(=O)NC[C@H]1CC[C@H](C(=O)NCCN2CCc3ccccc32)CC1 257290763 QEFNIBCXVNGMFS-XUTJKUGGSA-N 420.557 3.105 0 40 HGAB Cc1cc(Nc2ccc(F)cc2)cc([C@H]2CCN(S(=O)(=O)N3CCCC3)C2)n1 257291332 QGNCKFLGCJYBCZ-INIZCTEOSA-N 404.511 3.403 0 40 HGAB CC(C)n1cnc([C@@H]2CN(C(=O)c3ccccc3)C[C@@]23CCN(CC2CC2)C3=O)c1 306132690 LPHXGAULCPHTHW-RDPSFJRHSA-N 406.530 3.332 0 40 HGAB O=C1N(Cc2ccccc2)CCO[C@]12CN(Cc1ccco1)C[C@H]2c1cccnc1 306142364 WXCGURHISQFEKK-UPVQGACJSA-N 403.482 3.072 0 40 HGAB CN1CCN(c2cc3[nH]c(O)nc3cc2NC(=O)Cc2cccc3ccccc23)CC1 408527162 CWLLORZSOXTJJQ-UHFFFAOYSA-N 415.497 3.355 0 40 HGAB CCOc1ccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccccc3)[C@@H]2c2ccccc2)cc1 409061676 ZQUPPOGHRLIVBJ-KHYLXTRXSA-O 414.485 3.101 0 40 HGAB O=C(O)c1cccc(NC(=O)c2ccc(N3C(=O)[C@H]4[C@H]5CC[C@@H](C5)[C@@H]4C3=O)cc2)c1 409198597 IHJCHGSZQWLYGM-LSOMNZGLSA-N 404.422 3.173 0 40 HGAB CCC(CC)C(=O)N1CC[C@@H](CC(=O)O)[C@@H](Cc2nc3ccc(OC)cc3[nH]2)C1 514288477 FQXFINZCJDJWBI-HOTGVXAUSA-N 401.507 3.490 0 40 HGAB biogenic,in-vitro O=S(=O)(NC[C@@](O)(c1ccccc1)C1CCOCC1)c1cccc2ccccc12 575612026 JXEUMUFSGWLSLN-HSZRJFAPSA-N 411.523 3.433 0 40 HGAB O=C(N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O)c1cc2ccccc2nc1O 603703317 GMQREBZNYJYFDT-KRWDZBQOSA-N 415.371 3.495 0 40 HGAB O=C(CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]12)NC[C@H]1C[C@H]2C=C[C@H]1C2 604418901 SVCIPIHHLHRWRI-JHQQDIAJSA-N 413.477 3.130 0 40 HGAB CC1(c2cccc(Br)c2)CCN(Cc2nnc3n2CCOCC3)CC1 1614994690 BOUFQSZTJVRVHS-UHFFFAOYSA-N 405.340 3.167 0 40 HGAB Cc1ccccc1C(=O)N1CCCCCc2cc(F)ccc2OC[C@@H](O)[C@@H](O)CC1 1615157130 BXXFQASVYFMPCJ-FCHUYYIVSA-N 415.505 3.494 0 40 HGAB O=C(c1cncc(Br)c1)N1CCC(COc2ccc(C3CC3)nn2)CC1 1775965530 BRKPGUQCTSBZQF-UHFFFAOYSA-N 417.307 3.443 0 40 HGAB CC(C)S(=O)(=O)c1ccc(CC(=O)NC[C@@H](O)c2ccc(-c3ccco3)o2)cc1 1775965684 JUCYMTABTHPVMU-QGZVFWFLSA-N 417.483 3.114 0 40 HGAB COc1cc(C)ccc1OCC(=O)N1CCC(n2nc(C(C)(C)C)ccc2=O)CC1 1775968323 YVJWLYJUYGPMJQ-UHFFFAOYSA-N 413.518 3.100 0 40 HGAB O=C(N1CCOC[C@@H](Cc2ccc3nccn3c2)C1)C1(c2ccccc2)CCOCC1 1848352691 PWKFMRPQCOPCOS-NRFANRHFSA-N 419.525 3.100 0 40 HGAB COc1ccc(CNC(=O)N2CCC(Nc3cc(C(F)(F)F)ncn3)CC2)cc1 1888882010 NGBUJIGPEPQZIW-UHFFFAOYSA-N 409.412 3.290 0 40 HGAB Cn1cc(C(=O)N2C[C@H]3CN(c4ccc(-c5ccccc5)nn4)C[C@@H]3C2)c(C(F)F)n1 1888904121 VSAOCHCOYYXRBC-HZPDHXFCSA-N 424.455 3.023 0 40 HGAB Cc1cc(N2C[C@@H]3CN(c4ncccc4C(F)(F)F)C[C@H]3C2)n2nc(C)cc2n1 1888906638 WPBPCCPDAMPCHN-HUUCEWRRSA-N 402.424 3.333 0 40 HGAB CC(=O)N1CCC[C@@]1(Cc1ccccc1-c1ccccc1)C(=O)N1CCCN(C)CC1 2037834489 KIEGZLZNTJCFOC-AREMUKBSSA-N 419.569 3.441 0 40 HGAB CCOc1ccc2[nH]c(=O)c(CN(CCO)C(=S)Nc3ccc(C)cc3)cc2c1 879352 DEDQVQBDTIZHKP-UHFFFAOYSA-N 411.527 3.427 0 40 HGAB CCn1c(Cc2ccc3c(c2)OCO3)nnc1SCC(=O)N1[C@H](C)CCC[C@H]1C 1325521 AMGNBMRUKUPDEO-HUUCEWRRSA-N 416.547 3.499 0 40 HGAB COc1ccc(-n2c(SCC(=O)NC3CCCC3)nnc2-c2ccccn2)cc1 1362797 OHIIMIBUTMPDHB-UHFFFAOYSA-N 409.515 3.489 0 40 HGAB Cc1cc(C(=O)OCC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)c(C)o1 3536483 YKVWEAGUJWKOSX-UHFFFAOYSA-N 405.472 3.111 0 40 HGAB CCCOc1ccc(C(=O)OCC(=O)Nc2ccc3c(c2)OCO3)cc1OCC 3550569 XJGCQVULCPWURU-UHFFFAOYSA-N 401.415 3.398 0 40 HGAB CC(C)C[C@@H](NC(=O)COc1ccc2c(-c3ccccc3)cc(=O)oc2c1)C(=O)O 4024219 NXIQQCXHXSVYNY-LJQANCHMSA-N 409.438 3.454 0 40 HGAB biogenic COc1ccccc1OCC(=O)Oc1coc(CSc2nccc(C)n2)cc1=O 4377314 YRRSHHBIPMVNFO-UHFFFAOYSA-N 414.439 3.024 0 40 HGAB CCc1nc2sc([C@@H](c3cccc(C)c3)N3CCC4(CC3)OCCO4)c(O)n2n1 4584885 UEEQKIKYSPIFOC-QGZVFWFLSA-N 414.531 3.296 0 40 HGAB CCN(CC(=O)Nc1ccc(C)cc1)S(=O)(=O)c1ccc(Br)cc1 6274456 IEHVTZHEPYYRNF-UHFFFAOYSA-N 411.321 3.407 0 40 HGAB COC(=O)C1CCN(CC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)CC1 6509070 QZXIBZISOHSZRY-UHFFFAOYSA-N 414.889 3.395 0 40 HGAB CCOC(=O)Cn1c(C)c(/C=C(\Sc2nnc(C)[nH]2)C(=O)O)c2ccccc21 6630315 VBHQAUAQCXDWLU-SXGWCWSVSA-N 400.460 3.157 0 40 HGAB C[C@H](NC(=O)COC(=O)Cn1c(C(F)(F)F)nc2ccccc21)c1ccccc1 6650256 VQVNAAHFFHUUON-ZDUSSCGKSA-N 405.376 3.476 0 40 HGAB CCc1nnc(NC(=O)CSc2nnc3c(n2)[nH]c2ccc(Cl)cc23)s1 6860887 KFSPMQLGUBGCSC-UHFFFAOYSA-N 405.896 3.304 0 40 HGAB CC(C)[C@H](C(=O)NC1CCN(Cc2ccccc2)CC1)N1Cc2ccccc2C1=O 6872165 NKTSRGFUFVXXRU-HSZRJFAPSA-N 405.542 3.448 0 40 HGAB COC(=O)c1ccc(CSc2nc3cc(S(=O)(=O)N(C)C)ccc3o2)cc1 7254556 YVOQFUIXBJKZOU-UHFFFAOYSA-N 406.485 3.157 0 40 HGAB Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)N1CCN(C(=O)c2ccco2)CC1 8719344 XVXZOTCENCTEAK-UHFFFAOYSA-N 416.840 3.164 0 40 HGAB COc1ccc(C)cc1S(=O)(=O)Nc1ccc2c(c1)N(C)C(=O)C(C)(C)CO2 9169980 GHFNXNOJPLXYEN-UHFFFAOYSA-N 404.488 3.186 0 40 HGAB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C1/C[C@@H](c2ccc(Cl)cc2)NN1 9332369 MHSMXSBKJXKKQY-DQHOPXMZSA-N 417.252 3.070 0 40 HGAB O=C(Nc1nnc(SCC(=O)N2CCCCCC2)s1)c1ccc2c(c1)OCO2 9391048 WKAIMFYMVOEUFM-UHFFFAOYSA-N 420.516 3.014 0 40 HGAB O=C(CSc1nnc(NC(=O)c2cccs2)s1)Nc1ccc2c(c1)OCO2 9600100 ZKHGOPCSXKVXPK-UHFFFAOYSA-N 420.497 3.311 0 40 HGAB CC(C)c1ccc(OCC(=O)N2CCC(NS(=O)(=O)c3cccs3)CC2)cc1 11451423 ZUFQYTPZIABAAF-UHFFFAOYSA-N 422.572 3.220 0 40 HGAB Cc1cc(OCC(=O)N(C(=O)NC(C)C)C(C)C)c2c3c(c(=O)oc2c1)CCC3 11866857 IRUUWIPKOIQJOZ-UHFFFAOYSA-N 400.475 3.324 0 40 HGAB CCN(CC)C(=O)CN1CCN(C(=O)c2ccc(Oc3ccc(F)cc3)cc2)CC1 12397340 NSPWNDPOSNIPIS-UHFFFAOYSA-N 413.493 3.244 0 40 HGAB O=C(Cc1cc(F)ccc1F)N1CCC([C@@H]2C[C@H](C(F)F)n3ncnc3N2)CC1 12407890 VOULIMJFJRNTEO-JKSUJKDBSA-N 411.403 3.028 0 40 HGAB O=C(NCCC(=O)N1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc(Cl)cc1 12799468 WGSQXXFLNXSYDG-UHFFFAOYSA-N 420.340 3.458 0 40 HGAB Cc1ccccc1[C@@H](C)NC(=O)[C@@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1 12851918 OXWDALIEFGSKCQ-IAGOWNOFSA-N 411.527 3.033 0 40 HGAB O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCN(Cn2ccccc2=S)CC1 12925079 VCEYDSAOSWUHIA-UHFFFAOYSA-N 418.371 3.488 0 40 HGAB C[C@@H](OC(=O)c1ccccc1OCc1ccc(Cl)cc1)C(=O)N1CCNC1=O 13003746 DNMOEPYZGZRNSU-CYBMUJFWSA-N 402.834 3.016 0 40 HGAB CCCOC(=O)c1ccc(NC(=O)COC(=O)C2C[C@@H]3CCC[C@H](C2)C3=O)cc1 13004180 IUTODOSFPFNPSW-SJPCQFCGSA-N 401.459 3.131 0 40 HGAB O=C(c1ccc(Cl)cc1)[C@H]1[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@H]2CCCN21 13557122 UPVXRZXAZJOAQF-AKHDSKFASA-N 412.848 3.314 0 40 HGAB CC[C@H](C(=O)Nc1cc(OC)ccc1OC)N(c1ccc(F)cc1)S(C)(=O)=O 13715262 XEWKOBPSRXKWNL-QGZVFWFLSA-N 410.467 3.026 0 40 HGAB CC[C@@H](C(=O)N1CCc2ccccc2C1)N(c1ccc(C)c(C)c1)S(C)(=O)=O 13716232 FSNYOBLHQWCREL-NRFANRHFSA-N 400.544 3.433 0 40 HGAB O=C(COC(=O)c1cc(=O)[nH]c2ccccc12)Nc1nc(-c2ccccc2)cs1 13878669 QTDYZFRRVQATQA-UHFFFAOYSA-N 405.435 3.447 0 40 HGAB COc1ccccc1OCCNC(=O)c1ccc(Cn2nnc3ccccc32)cc1 14240146 WAQCPNYJFCXVFY-UHFFFAOYSA-N 402.454 3.297 0 40 HGAB Cc1ccc2nc(NC(=O)CCS(=O)(=O)c3ccc4c(c3)OCCO4)sc2c1 14739772 SPAXKUAVUKPKAS-UHFFFAOYSA-N 418.496 3.178 0 40 HGAB Cc1ccc(C(=O)NC(=S)NCc2ccc(-c3nn4c(C)nnc4s3)cc2)cc1 17093203 BMARVUNRJYFARX-UHFFFAOYSA-N 422.539 3.274 0 40 HGAB Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)N[C@H](c1ccc3c(c1)OCCO3)C(C)C)C2=O 17368195 GXHQVJUXLJOIRI-VFNWGFHPSA-N 422.481 3.264 0 40 HGAB Cc1sc2nc(CSCC(=O)Nc3ccc4c(c3)OCCO4)[nH]c(=O)c2c1C 17823550 KVHDWNFPCCESFU-UHFFFAOYSA-N 417.512 3.245 0 40 HGAB Cc1cc(-c2cnc(N(C)C)nc2[C@@H]2CCCCN2C(=O)Cc2ccccn2)on1 19121891 ZIKJODRSAONGFR-SFHVURJKSA-N 406.490 3.197 0 40 HGAB COc1cccc(Cn2cc(NC(=O)[C@H]3CC(=O)N(c4ccccc4C)C3)cn2)c1 19661591 PUHDPPQXESSXCX-SFHVURJKSA-N 404.470 3.240 0 40 HGAB O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(CS(=O)(=O)N2CCCC2)cc1 20486655 SIKXGOXHXFHTOG-UHFFFAOYSA-N 402.560 3.311 0 40 HGAB CN(c1ccc(OCC(=O)Nc2cc(Cl)ccc2Cl)cc1)S(C)(=O)=O 22230559 PQYNBHFBWNWISN-UHFFFAOYSA-N 403.287 3.407 0 40 HGAB COc1ccc([C@@H](CNCc2ccc(OC(F)F)c(OC)c2)N2CCOCC2)cc1 22789497 UCCUDYXXDBBGLU-LJQANCHMSA-N 422.472 3.468 0 40 HGAB Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)CCNC(=O)NC1CCCCC1 23113047 RLPANEUHDXRJOY-UHFFFAOYSA-N 411.550 3.470 0 40 HGAB O=C(c1cnc2ccccc2n1)N1CCN(Cc2csc(-c3ccco3)n2)CC1 24798039 HTWHUYMGBWDMNC-UHFFFAOYSA-N 405.483 3.304 0 40 HGAB CCN(Cc1nonc1C)C(=O)c1ccc(Cn2nc(C)c(Br)c2C)o1 28231241 XVCRILJGDBVUCZ-UHFFFAOYSA-N 422.283 3.257 0 40 HGAB O=C(/C=C/c1ccccc1OC(F)F)NCc1ccc(CN2CCOCC2)cc1 29882191 WPBVWTUBVCPZEW-MDZDMXLPSA-N 402.441 3.450 0 40 HGAB Cc1c(C(=O)Nc2ccc(-n3cccn3)nc2)sc2nc3n(c(=O)c12)CCCCC3 32754770 KYPDUUGBELRINQ-UHFFFAOYSA-N 420.498 3.326 0 40 HGAB CC(C)Cn1c(SCC(=O)NCCc2ccc(F)cc2)nc2ncccc2c1=O 32893366 XKZBKCYADRWIKP-UHFFFAOYSA-N 414.506 3.038 0 40 HGAB Cc1ccc(-c2cc(C(=O)NC3CCCCC3)nn2[C@H]2CCS(=O)(=O)C2)cc1 33325508 VJQUECFQYOOYNL-SFHVURJKSA-N 401.532 3.281 0 40 HGAB COc1ccc(C)cc1S(=O)(=O)N1CCC(C(=O)Nc2ccc(F)cc2F)CC1 35044198 VUVWFOZBPICGTR-UHFFFAOYSA-N 424.469 3.321 0 40 HGAB COc1ccc(CNC(=O)CN(C(=O)c2csnn2)c2cc(C)cc(C)c2)cc1 35314015 GQBKKXKHFGCMSC-UHFFFAOYSA-N 410.499 3.127 0 40 HGAB CCOC(=O)[C@H]1CCCN([C@H](c2ccccc2)c2sc3nc(CC)nn3c2O)C1 36104784 QUXMOPZEVORLNA-DOTOQJQBSA-N 414.531 3.423 0 40 HGAB O=C(COc1ccc(Br)cc1Cl)NCc1nncn1-c1ccccc1 40088230 IGUVQRQUVGTFBJ-UHFFFAOYSA-N 421.682 3.378 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)N(C[C@@H]1CCOC1)C1CC1 40098530 DBQRJOWPOGPCFK-KRWDZBQOSA-N 421.563 3.202 0 40 HGAB COc1ccc(N2C[C@H](C(=O)Nc3cccc(-c4cnco4)c3)CC2=O)cc1OC 40152464 DTSUBBKPOLMAGF-OAHLLOKOSA-N 407.426 3.350 0 40 HGAB CCOc1ccc(-c2ccc(=O)n(CCC(=O)NCc3ccccc3OCC)n2)cc1 41254348 PBGPNULKJZGJAN-UHFFFAOYSA-N 421.497 3.414 0 40 HGAB CNC(=O)Cc1ccc(NS(=O)(=O)c2cc3ccc(Cl)nc3cc2F)cc1 72301196 WDLHRSYYOFLTNA-UHFFFAOYSA-N 407.854 3.117 0 40 HGAB COc1cccc(CCNC(=O)[C@H]2C[C@H]3CC[C@@H]2C[C@@]32NC(=O)c3ccccc3N2)c1 72327064 IOZBHVINFLTJKN-FOUAFEINSA-N 419.525 3.342 0 40 HGAB CO[C@H]1CCC[C@@H](C(=O)N[C@H](Cc2c[nH]c3ccccc23)c2cc(=O)[nH]c(C)n2)C1 72341462 WMHKQPFECQSXQT-OXFYSEKESA-N 408.502 3.165 0 40 HGAB COc1ccc(CC(=O)N2CCCC[C@@H]2c2ccnc(Nc3cnccn3)n2)cc1 72377930 VNWUYGSCMYQTDA-LJQANCHMSA-N 404.474 3.315 0 40 HGAB CC(=O)Nc1ccc(CN2CCC[C@H](c3cc(=O)[nH]c(-c4cccnc4)n3)C2)cc1 72393092 UQCOTVNRPGBILS-IBGZPJMESA-N 403.486 3.170 0 40 HGAB CN(C)CCCOC1CCN(C(=O)Nc2nnc(Cc3cccc(F)c3)s2)CC1 79068031 NBHIPCFCPBBGOW-UHFFFAOYSA-N 421.542 3.233 0 40 HGAB O=C(COc1ccc(Br)cc1F)N1CC(c2nc3ccccc3[nH]2)C1 79095273 HFPQEDZGNCFHAX-UHFFFAOYSA-N 404.239 3.469 0 40 HGAB COc1ccc(OC)c(-c2cc(C(=O)NCC[C@H](O)c3cc(C)oc3C)n(C)n2)c1 90613430 JKXSBYQTJCHLAP-FQEVSTJZSA-N 413.474 3.168 0 40 HGAB O=C(CCc1ccccc1)N1CCC[C@@]12CCCN(S(=O)(=O)c1ccccc1)C2 96214540 ZSQQGMSRWQJXIV-HSZRJFAPSA-N 412.555 3.465 0 40 HGAB O=C(C1=NN(c2ccccc2)[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]12)c1ccccc1 100354648 LOOKZQOQPJDIAB-FPOVZHCZSA-N 413.408 3.443 0 40 HGAB Cc1ccc(NC(=O)[C@@H](Cc2ccccc2)N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 101420826 BDOCNUMZBHEEEX-QHGDMDKLSA-N 400.478 3.352 0 40 HGAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)COC(=O)c1cnn(-c2ccccn2)c1C(F)(F)F 104877522 UKDPJAXYOUAWPR-VNHYZAJKSA-N 424.423 3.384 0 40 HGAB COc1cccc(N(CCCC(=O)N[C@@H]2CCCc3ccccc32)S(C)(=O)=O)c1 113967136 BRUZBFKSTZENIH-OAQYLSRUSA-N 416.543 3.435 0 40 HGAB CS(=O)(=O)c1ccc2c(c1)sc1nc(=O)c(/C=C3\C=Nc4ccccc43)c(N)n12 136619981 MWPLYWPZZDGRSM-DHZHZOJOSA-N 422.491 3.151 0 40 HGAB Cc1cc(C(=O)NCCOc2cccc3ccccc23)ccc1N(C)S(C)(=O)=O 223568786 HKILIDBQPRFQGT-UHFFFAOYSA-N 412.511 3.353 0 40 HGAB CCCSc1nnc(NC(=O)CCCN(C)S(=O)(=O)c2ccccc2)s1 223614942 HTIAODHUAOYTAS-UHFFFAOYSA-N 414.578 3.080 0 40 HGAB CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1Cc1ccco1 223647216 SREDBERMGJLNPJ-VQTJNVASSA-N 410.499 3.060 0 40 HGAB CCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)COc1cc(OC)cc(OC)c1 224124190 INYVYEMXNLJCHL-NRFANRHFSA-N 414.502 3.026 0 40 HGAB Cc1cc(S(=O)(=O)NCC2CCN(C3CCOCC3)CC2)c(Cl)cc1Cl 225564863 KFISWRIFSDBNSV-UHFFFAOYSA-N 421.390 3.471 0 40 HGAB COc1cc(NS(=O)(=O)c2ccc3c(c2)sc(=O)n3C)c(OC)cc1Cl 225679435 RTVTYCCQQCGQHP-UHFFFAOYSA-N 414.892 3.071 0 40 HGAB C[C@@H](Oc1nn(-c2ccccc2)cc1Br)C(=O)NCCc1ccco1 227160012 AEXZJHSEUAFWSY-CYBMUJFWSA-N 404.264 3.354 0 40 HGAB CC(C)C(=O)N1CCc2c(nc3cc([C@H]4CCCN4C[C@@H]4CC=CCC4)nn3c2O)C1 248176984 WJOGFGUCTNGPGA-DYESRHJHSA-N 423.561 3.469 0 40 HGAB COc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)C(C)C)c2ccc(F)cc2)cc1 260903956 YPIIBIQMMSSBPG-OAHLLOKOSA-N 408.495 3.190 0 40 HGAB COc1ccccc1-c1ccc2c([C@H]3CN(Cc4ccoc4)CCN3C)nnn2c1 306124729 BXWDRXTYFIQBIX-OAQYLSRUSA-N 403.486 3.487 0 40 HGAB Cc1nc2c(n1C(C)C)CN(Cc1nccs1)CC21CCN(C(=O)N(C)C)CC1 306124887 CBMWCNLCWXSJDP-UHFFFAOYSA-N 416.595 3.260 0 40 HGAB Cc1ccc(S(=O)(=O)N(CC(=O)N2CCC(C)CC2)Cc2ccccc2)cc1 409002774 AGANCARNLRMZRU-UHFFFAOYSA-N 400.544 3.444 0 40 HGAB Cn1ccc2c(NC(=O)NCCN3CCc4c(Cl)cccc4C3)cccc2c1=O 505058748 ZUHNTTZELXKSMY-UHFFFAOYSA-N 410.905 3.372 0 40 HGAB Cc1ccc2nc(C[C@H]3CN(C(=O)COc4ccccc4)CC[C@H]3CC(=O)O)[nH]c2c1 514288388 CCSCJUHGMVZNNI-ROUUACIJSA-N 421.497 3.432 0 40 HGAB biogenic,in-vitro O=C(C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)NCc1cccc(CO)n1 549716700 PNASFUPJSZHJEV-NRFANRHFSA-N 423.900 3.405 0 40 HGAB Cc1noc2nc(-c3cccc(C(F)(F)F)c3)cc(C(=O)N3CC[C@H](C(N)=O)C3)c12 606366277 BKZOWXFYQVUURR-LBPRGKRZSA-N 418.375 3.164 0 40 HGAB C[C@H](Cc1csc2ccccc12)NS(=O)(=O)c1ccc2oc(=O)n(C)c2c1 618257579 YHWUHJQUADRMQJ-GFCCVEGCSA-N 402.497 3.256 0 40 HGAB CCS(=O)(=O)N1CCC[C@@H](C(=O)N[C@H](c2cccc(C(F)(F)F)c2)C2CC2)C1 678327724 SAQXEUPQEHXZDD-WBVHZDCISA-N 418.481 3.334 0 40 HGAB CC(C)(C)c1nc2c(c(N3CCN(c4ncc(Br)cn4)CC3)n1)CCC2 1888870208 CEAQXTNXMZMEQZ-UHFFFAOYSA-N 417.355 3.142 0 40 HGAB CN1C(=O)COc2ccccc2CCCCO[C@@H]2CN(Cc3cccc(F)c3)C[C@@H]21 2037985473 LECVWTPDIAKDHK-JTHBVZDNSA-N 412.505 3.269 0 40 HGAB CCOC(=O)Cn1c(=O)n(-c2cccc(Cl)c2)c(=O)c2c3c(sc21)CCCC3 2385866 LAQAFPRZEQRQLL-UHFFFAOYSA-N 418.902 3.309 0 40 HGAB O=C(CSc1nc(O)c(Cc2ccccc2)c(=O)[nH]1)Nc1ccccc1Cl 2783472 YPSCIOLFCUPFBF-UHFFFAOYSA-N 401.875 3.451 0 40 HGAB Cc1nn(CCC(=O)NCCCn2nc(C)c(Cl)c2C)cc1Br 2805136 RYUHPZJGJMKIDU-UHFFFAOYSA-N 402.724 3.017 0 40 HGAB CN(C)CCN(C(=O)CCS(=O)(=O)c1ccccc1)c1nc2ccccc2s1 4585297 UHXMQKYOTBYMJY-UHFFFAOYSA-N 417.556 3.055 0 40 HGAB CCOC(=O)c1ccc(N2C[C@H](C(=O)O[C@@H](CC)C(=O)c3ccccc3)CC2=O)cc1 4610598 YSPDOFUYTAKYDS-QUCCMNQESA-N 423.465 3.421 0 40 HGAB O=C1N[C@@]2(Nc3sc4c(c31)CCCC4)C(=O)Nc1ccc(Br)cc12 4694724 OSYSDHWPPCJXSS-KRWDZBQOSA-N 404.289 3.350 0 40 HGAB Cc1ccc(C(=O)[C@H]2[C@@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@@H]3[C@H]3CCCN32)cc1 5243548 CEAHITVAIUOWIK-UAFMIMERSA-N 408.885 3.484 0 40 HGAB C[C@@H](CCc1ccccc1)NC(=O)C(=O)Nc1c2c(nn1C(C)(C)C)CSC2 5438279 VTFMVBCPFSBECZ-AWEZNQCLSA-N 400.548 3.461 0 40 HGAB COc1cc([C@@H]2SCC(=O)N2c2nnc(C(F)(F)F)s2)cc(OC)c1OC 5759452 VRBREZSWOIOWQB-LBPRGKRZSA-N 421.422 3.361 0 40 HGAB CCCNC(=O)[C@H]1CC(=O)N(c2ccc(OCC(=O)Nc3c(C)cccc3C)cc2)C1 5864244 FDFUPDHPBFIJMQ-SFHVURJKSA-N 423.513 3.200 0 40 HGAB CCCN(CC(=O)NCc1ccc(OC)cc1)S(=O)(=O)c1ccc(Cl)cc1 6558623 BFYVOMUCZUYBAW-UHFFFAOYSA-N 410.923 3.066 0 40 HGAB Cc1cc(C(=O)Cn2cnc3ccccc3c2=O)c(C)n1Cc1ccc2c(c1)OCO2 7268734 JMQSBOCMAXYXBY-UHFFFAOYSA-N 415.449 3.475 0 40 HGAB CN(C)S(=O)(=O)c1ccc(S[C@@H](C(=O)N2CCCCC2)c2ccccc2)nc1 7356910 CTGSKWVMKGYKKK-LJQANCHMSA-N 419.572 3.178 0 40 HGAB COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc4c(c3)OCCO4)on2)CC1 7572342 YJLMAVKXPWWLFO-UHFFFAOYSA-N 421.453 3.084 0 40 HGAB COc1ccc(S(=O)(=O)NCCSc2ccccc2)cc1C(=O)N1CCCC1 8560332 VTCDUXBDLZPESM-UHFFFAOYSA-N 420.556 3.002 0 40 HGAB CCc1ccccc1-n1c(-c2ccc(C)cc2)cn2c3c(=O)n(C)c(=O)n(C)c3nc12 8654318 LIHWIRQROOVVQK-UHFFFAOYSA-N 413.481 3.213 0 40 HGAB C[C@@H]1CCc2nc(NC(=O)[C@@H]3CCCN3S(=O)(=O)c3ccc(F)cc3)sc2C1 8895241 WEXMRRORIFHSMF-WBMJQRKESA-N 423.535 3.199 0 40 HGAB Cc1nc2c(=O)n(CC(=O)Nc3ccc4c(c3)OCO4)nc(-c3ccccc3)c2s1 8955001 BQLFRAVAXFYWOL-UHFFFAOYSA-N 420.450 3.196 0 40 HGAB CCN(CC)[C@H](CNS(=O)(=O)c1ccc2c(c1)OCCO2)c1ccccc1Cl 8982163 GTVSYZOCBMHLAP-GOSISDBHSA-N 424.950 3.473 0 40 HGAB CCOC(=O)Cc1csc(NC(=O)COc2ccc(C)cc2Br)n1 9108932 AOPLMTHKMRYDEJ-UHFFFAOYSA-N 413.293 3.337 0 40 HGAB COc1cc(NC(=O)CSc2nc3cc(Br)cnc3[nH]2)cc(OC)c1 9308539 WDGGJBYXARMDHQ-UHFFFAOYSA-N 423.292 3.468 0 40 HGAB O=C1NC2(CCCC2)C(=O)N1CC(=O)N1CCc2sccc2[C@@H]1c1cccs1 9337005 OTKYNSJARNSORN-QGZVFWFLSA-N 415.540 3.148 0 40 HGAB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)CCc1nc2ccccc2c(=O)[nH]1 10901662 WLXXNXZCCLOBPQ-UHFFFAOYSA-N 415.497 3.034 0 40 HGAB COc1ccccc1CNC(=O)c1cc(N2CCCCS2(=O)=O)ccc1Cl 12195390 QUKAZTOXQDZSRR-UHFFFAOYSA-N 408.907 3.209 0 40 HGAB Cc1ccc(-c2noc(CN3CCN(C(=O)[C@H](C)Oc4ccc(F)cc4)CC3)n2)cc1 12758374 CHKWRLGLRQESIQ-KRWDZBQOSA-N 424.476 3.296 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3csc4c3CCCC4)CC2)cc1 12939274 BURIKDBXERJPFE-UHFFFAOYSA-N 404.557 3.082 0 40 HGAB O=C(O)c1ccc(NC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)cc1 13678137 DLSFUHIOSLORLR-UHFFFAOYSA-N 402.453 3.499 0 40 HGAB COCCN(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)c1ccc(OC)c(OC)c1 13817163 BXRATGGBDPGJOK-UHFFFAOYSA-N 410.470 3.143 0 40 HGAB CC1CCC2(CC1)NC(=O)N(CC(=O)N[C@@H](C)c1ccccc1Br)C2=O 14187146 FJQLRZBRTIIZDT-MLZJXEJWSA-N 422.323 3.127 0 40 HGAB COc1ccc(C(=O)NC[C@@H](c2ccco2)S(=O)(=O)c2ccc(OC)cc2)cc1 15781077 WEHXWLZKRCPXOV-FQEVSTJZSA-N 415.467 3.242 0 40 HGAB Cc1ccccc1-n1nc(C)c(CC(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)c1O 19237571 NQNHQTWFTDXEFI-CQSZACIVSA-N 406.442 3.095 0 40 HGAB O=c1[nH]c(-c2ccncc2)nc2c1CCN(Cc1c[nH]nc1-c1ccc(Cl)cc1)C2 19336421 UJPLGQANGHMUJH-UHFFFAOYSA-N 418.888 3.434 0 40 HGAB O=C(c1ccc2c(c1)OCO2)N1CCC(c2nc(-c3ccsc3)cc(=O)[nH]2)CC1 19345491 TVDBBHWMNWJLDC-UHFFFAOYSA-N 409.467 3.247 0 40 HGAB c1ccc(Cn2nnnc2[C@@H](c2ccccn2)N2CCN(c3ccccc3)CC2)cc1 19372850 CLBYMDGEISBJCB-HSZRJFAPSA-N 411.513 3.028 0 40 HGAB COc1ccc(OCC(=O)N[C@H]2CC(C)(C)Cc3nc(N4CCCC4)ncc32)cc1 19461401 KWJFBKLJPLMMES-IBGZPJMESA-N 410.518 3.294 0 40 HGAB Cc1cc(CN2CCN(c3ccccc3[C@H](O)c3nccn3C)CC2)cc(C)c1O 19570020 KQNGZJRHTBITBB-QHCPKHFHSA-N 406.530 3.146 0 40 HGAB CS(=O)(=O)c1cccnc1[C@@H]1CCCN(Cc2cc3c(cc2Cl)OCO3)C1 19573528 RERWHHKAIQEVJY-CYBMUJFWSA-N 408.907 3.247 0 40 HGAB CC(=O)Nc1ccc(NC(=O)c2ccc(CS(=O)(=O)N3CCCCC3)cc2)cc1 20107674 RQXYZRNHGAPJBW-UHFFFAOYSA-N 415.515 3.213 0 40 HGAB O=C(N[C@@]1(C(F)(F)F)N=C(c2ccccc2)N(Cc2ccco2)C1=O)c1ccco1 20590906 DLADGSINDYNDAF-IBGZPJMESA-N 417.343 3.350 0 40 HGAB O=C(O)[C@H](c1c[nH]c2cc(Br)ccc12)N1CCN(c2ccccn2)CC1 20726285 CJNVYKLVQPXYCS-SFHVURJKSA-N 415.291 3.273 0 40 HGAB COc1ccc(N(C)S(C)(=O)=O)cc1C(=O)Nc1ccc(C(F)(F)F)cc1 22251553 XEFOPWPTNNLVPX-UHFFFAOYSA-N 402.394 3.362 0 40 HGAB Cc1cc(C)c([C@H](C)NC(=O)COc2ccc(S(=O)(=O)N(C)C)cc2C)cc1C 22537413 WUCXQJBOLKAQBL-SFHVURJKSA-N 418.559 3.427 0 40 HGAB Cc1nn(Cc2ccccc2)c(C)c1C(=O)OCC(=O)Nc1cccc2nsnc12 22869073 VRWROGGGKFHGKX-UHFFFAOYSA-N 421.482 3.348 0 40 HGAB O=C(CCC(=O)c1ccc2c(c1)CCC2)NC[C@@H](c1cccs1)N1CCOCC1 23436648 XKHLQFLQDDEWKP-FQEVSTJZSA-N 412.555 3.389 0 40 HGAB O=C(NCCCN1CCCCC1)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1 29546797 ZUVGFXQTGRSFMH-UHFFFAOYSA-N 405.498 3.089 0 40 HGAB CCOc1ccc([C@H](C)NC(=O)CNC(=O)c2cccc(Br)c2)cc1 29774141 UFOLPEOLUCZOEC-ZDUSSCGKSA-N 405.292 3.455 0 40 HGAB O=C(Nc1nc(-c2ccc3c(c2)OCCO3)cs1)[C@@H]1CCCN(c2cnccn2)C1 29777437 GBVVGAAMMAJZRF-OAHLLOKOSA-N 423.498 3.226 0 40 HGAB CCc1ccc(NC(=O)CSc2nnc(-c3ccc4c(c3)OCCO4)c(O)n2)cc1 32836341 JVRCHTIPAGRWPL-UHFFFAOYSA-N 424.482 3.309 0 40 HGAB COc1ccc(CCC(=O)NC[C@H](O)c2ccccc2OC)cc1Br 32915267 CBXVUBBTIKZPCF-INIZCTEOSA-N 408.292 3.249 0 40 HGAB CCCCc1nc(C)c(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)s1 40093821 OPZZQRXIWOTBJP-UHFFFAOYSA-N 401.532 3.481 0 40 HGAB Cc1nn(C)c(C)c1NC(=O)[C@H](C)N1CCC(C(=O)c2cc(F)ccc2F)CC1 40120204 ISNITIAUDVVCRQ-AWEZNQCLSA-N 404.461 3.237 0 40 HGAB O=C(CN1C(=O)COc2ccc(Cl)cc21)N1CCC(c2c[nH]c3ncccc23)CC1 40151753 FBVHTQYFFXGKCW-UHFFFAOYSA-N 424.888 3.348 0 40 HGAB CS(=O)(=O)N1CC[C@H](C(=O)NCCCc2ccccc2)Oc2ccc(Cl)cc21 44909359 VOKOANYAFJHUFF-LJQANCHMSA-N 422.934 3.006 0 40 HGAB Cc1cccc(N2CCN(C(=O)C[C@@](O)(c3nc(C)cs3)C(F)(F)F)CC2)c1 48299014 LOMXZJQEBDCJKJ-GOSISDBHSA-N 413.465 3.249 0 40 HGAB CCCCn1c(=O)c2sccc2n(CC(=O)N[C@H](C)CCc2ccccc2)c1=O 57427239 OQNBHVGKYJCCAC-MRXNPFEDSA-N 413.543 3.162 0 40 HGAB CCCc1nnc2c(=O)n(CC(=O)Nc3ccc(OCC)cc3)c3ccccc3n12 57522780 HECFZTUYFHYSHF-UHFFFAOYSA-N 405.458 3.034 0 40 HGAB Cc1cc(NC(=O)NCc2cccc(NS(C)(=O)=O)c2)ccc1N1CCCC1 57981462 CFAWVQVDWPHVQP-UHFFFAOYSA-N 402.520 3.288 0 40 HGAB COc1ccc([C@H]2CC(=O)c3cc(C(=O)Nc4ccc(O)cc4)c(=O)[nH]c3C2)cc1 64959153 YWQNTMYAHVJFLH-CQSZACIVSA-N 404.422 3.254 0 40 HGAB CC[C@H]1Oc2ccc([C@H](O)c3ccco3)cc2N(CC(=O)N2CCC(C)CC2)C1=O 72343099 HGQWXJBEKCQPOV-GCJKJVERSA-N 412.486 3.124 0 40 HGAB Cc1nn(C)cc1S(=O)(=O)N1CCC[C@@H](c2cccc(-c3cccc(F)c3)n2)C1 72350140 SBAKBNVDIYJCHL-QGZVFWFLSA-N 414.506 3.498 0 40 HGAB CCOC(=O)CCC(=O)N1CCN(c2nc3c(C(F)(F)F)cccc3s2)CC1 77101064 NIIBWZZAZCVGPJ-UHFFFAOYSA-N 415.437 3.307 0 40 HGAB C[C@H](Cc1nc2ccccc2s1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 79023355 ILPPILBAVASDKO-OAHLLOKOSA-N 419.547 3.373 0 40 HGAB COc1ccc(C2(C(=O)NCCCCCc3nnc4ccccn34)CCOCC2)cc1 95480725 WPURLXRSDARRDA-UHFFFAOYSA-N 422.529 3.315 0 40 HGAB Cc1ccc(C)c(S(=O)(=O)Nc2ccccc2C(=O)N2CCC(C(=O)O)CC2)c1 95969438 GJOTYHJSHOYCSS-UHFFFAOYSA-N 416.499 3.041 0 40 HGAB Cc1nc(Cn2cnc(-c3nc(C(=O)N4CCCCO4)c4ccccn34)c2)cs1 96037969 QPKFISJUWKOLQI-UHFFFAOYSA-N 408.487 3.179 0 40 HGAB CCOc1ccc2c(c1)s/c(=N\C(=O)c1ccc3c(c1)OCCO3)n2CCOC 100873233 FHTQOANIIVVYBL-DQRAZIAOSA-N 414.483 3.260 0 40 HGAB Cc1nc(Cc2nnc(SCC(=O)c3ccc4c(c3)[C@@H](C)C(=O)N4)o2)cs1 103500354 SAYJEHYOTUSHIZ-SECBINFHSA-N 400.485 3.456 0 40 HGAB CC[C@@H](NC(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C)c1ccc(C)c(C)c1 219244512 CFPFJBNKWGJQLR-LJQANCHMSA-N 421.538 3.323 0 40 HGAB COc1ccc(C)cc1NC(=O)CN(c1cccc(OC(C)C)c1)S(C)(=O)=O 220104137 CARUFOSBGXZABR-UHFFFAOYSA-N 406.504 3.196 0 40 HGAB COc1ccc(N([C@@H](C)C(=O)Nc2c(C)cc(C)cc2C)S(C)(=O)=O)cc1OC 220234108 VUVVEBCHGDUGEI-INIZCTEOSA-N 420.531 3.422 0 40 HGAB CC(C)c1ccc(CCCNC(=O)CN(Cc2ccccc2F)S(C)(=O)=O)cc1 223153872 ONBVUCHLQBIFEB-UHFFFAOYSA-N 420.550 3.460 0 40 HGAB CC[C@H](C(=O)NCCOc1cccc(C)c1C)N(c1cccc(C)c1)S(C)(=O)=O 223955211 WXWHVDKFZQTJCU-HXUWFJFHSA-N 418.559 3.352 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)NC(C(C)C)C(C)C 224084243 LEQXVDFGKJLDIP-UHFFFAOYSA-N 410.580 3.209 0 40 HGAB O=C(NCCSC1CCCC1)c1ccc(CS(=O)(=O)N2CCCCC2)cc1 224248735 BSXJHYFGBOWWPV-UHFFFAOYSA-N 410.605 3.408 0 40 HGAB CC(C)Oc1cccc(CNS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)c1 225382939 BNHPSRRVIPKGAQ-UHFFFAOYSA-N 414.527 3.251 0 40 HGAB CCOC(=O)c1ccc(NC(=O)CN(CC)S(=O)(=O)c2cc(C)ccc2C)cc1 225934207 BJZAFVZUUJLPCO-UHFFFAOYSA-N 418.515 3.129 0 40 HGAB CCOc1ccc(NC(=O)[C@@]23C[C@@H]2CN(c2ccc(Cl)cc2)S3(=O)=O)cc1 225938726 FXYUSNDHUGKKAX-BFUOFWGJSA-N 406.891 3.286 0 40 HGAB CO[C@H]1CCN(CC(=O)Nc2ncc(Cc3ccccc3F)s2)C[C@@]12CCCO2 257329626 XKTLYFYXNQXFBZ-RXVVDRJESA-N 419.522 3.081 0 40 HGAB CC(C)n1cnc([C@@H]2CN(Cc3ccoc3)C[C@@]23CCN(Cc2cccnc2)C3=O)c1 306139498 SYUOOOSTIYWNKI-URXFXBBRSA-N 419.529 3.470 0 40 HGAB O=C(c1ccccc1OC(F)(F)F)N1CCC(n2nnc3ccsc3c2=O)CC1 390831970 WIVSDSCZHVNNEC-UHFFFAOYSA-N 424.404 3.229 0 40 HGAB COc1ccc(Cl)cc1N([C@@H](C)C(=O)N(C)Cc1ccccc1)S(C)(=O)=O 408559592 WEZKSQJBTOOENO-AWEZNQCLSA-N 410.923 3.162 0 40 HGAB CCCNS(=O)(=O)c1ccc(OCC(=O)N[C@H](C)CCc2ccccc2)c(C)c1 408620462 JUYSDFFIHOFJKX-GOSISDBHSA-N 418.559 3.200 0 40 HGAB Cc1cc(S(=O)(=O)NC[C@H]2CCCO2)ccc1NC(=O)c1ccc(Cl)cc1 408622293 NEAAIGABPPAVSP-MRXNPFEDSA-N 408.907 3.358 0 40 HGAB CCOc1cc(/C=C2\SC(=O)N(C)C2=O)cc(I)c1O 408820950 AUTPCNLKHCYEJF-POHAHGRESA-N 405.213 3.062 0 40 HGAB Cn1cc(CNCc2ncc(I)s2)c(-c2ccccc2)n1 511938596 BFONLGGQVYHILT-UHFFFAOYSA-N 410.284 3.438 0 40 HGAB COC(=O)COc1ccc2c(c1)O[C@]1(C[C@@H]2c2ccccc2)CC(C)(C)NC(=O)N1 1441217 ZYXVYFSJLKFHCH-WZONZLPQSA-N 410.470 3.331 0 40 HGAB O=C(COC(=O)c1ccc(-c2nc3ccccc3s2)s1)NC[C@@H]1CCCO1 2664705 XAOMHSIGNVUHCT-LBPRGKRZSA-N 402.497 3.477 0 40 HGAB Cc1cc(C)n(-c2ccc(C(=O)O[C@@H](C)C(=O)Nc3ccc4c(c3)OCCO4)cc2)n1 3367494 GZGGQQMUOGSOFT-INIZCTEOSA-N 421.453 3.444 0 40 HGAB O=C(CSc1nnc(SCc2ccc(Cl)cc2)s1)N1CCOCC1 3565150 CSLOXHWEWVCGJC-UHFFFAOYSA-N 401.966 3.435 0 40 HGAB COc1ccc(OCCCC(=O)OCC(=O)Nc2nnc(-c3ccccc3)o2)cc1 4243115 VOIWRQSZVJHTPV-UHFFFAOYSA-N 411.414 3.086 0 40 HGAB COc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCC3)c2)c(OC)c1 4393891 QYFFIVKLXDECTR-UHFFFAOYSA-N 404.488 3.049 0 40 HGAB CCc1ccc2[nH]c(=O)c(CN(Cc3nnnn3CCOC)C3CCCCC3)cc2c1 4847429 DTQDHWWICIQZKF-UHFFFAOYSA-N 424.549 3.058 0 40 HGAB COc1ccc([C@@H]2C(C(=O)Nc3ccc(C)cc3C)=C(C)Nc3nnnn32)c(OC)c1 4878809 DXOUNPMRROMNTI-HXUWFJFHSA-N 420.473 3.235 0 40 HGAB CCCOC(=O)c1c(N)n(-c2ccc3c(c2)OCCO3)c2nc3ccccc3nc12 5155938 VGAXDMQYLPMADI-UHFFFAOYSA-N 404.426 3.494 0 40 HGAB Cc1cccc2sc(N(CCN(C)C)C(=O)c3ccccc3S(C)(=O)=O)nc12 5242610 FMFQWTPNWHTNKU-UHFFFAOYSA-N 417.556 3.217 0 40 HGAB C[C@H](O)c1ccc2c(c1)OCCOCCOc1ccccc1OCCOCCO2 5747317 CAUMTIVGIDFKDS-KRWDZBQOSA-N 404.459 3.002 0 40 HGAB Cc1cc(OCC(=O)OCC(=O)N2c3ccccc3NC(=O)C2(C)C)ccc1Cl 5994241 PJKPJCXHMCYPAT-UHFFFAOYSA-N 416.861 3.334 0 40 HGAB CCOc1ccc(C(=O)N[C@H](C(=O)N2CCN(c3ccccc3)CC2)C(C)C)cc1 6623619 LQUHUOPWSDGYCI-QFIPXVFZSA-N 409.530 3.189 0 40 HGAB O=C(Cn1c(=O)n(Cc2ccco2)c(=O)c2ccccc21)Nc1ccc(Cl)cc1 6819056 ZNRIUIGXQKJKJY-UHFFFAOYSA-N 409.829 3.097 0 40 HGAB Cc1cc(N2C(=O)[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2=O)nn1Cc1ccc(Cl)cc1Cl 6922269 VNQCGRGVWMGPII-MDBPOYHNSA-N 406.269 3.213 0 40 HGAB Cc1cc(=O)c(C(=O)NCc2ccccc2CN2CCCCC2)nn1-c1ccccc1 7941485 DEBQRTMICGWOPR-UHFFFAOYSA-N 416.525 3.457 0 40 HGAB O=C(Nc1ccc(F)c(Cl)c1)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 8035596 WTYHNRTZCSVMDU-AWEZNQCLSA-N 412.870 3.189 0 40 HGAB Cc1cc(C)cc(N2C[C@H](C(=O)OCC(=O)Nc3cccc(Cl)c3)CC2=O)c1 8037936 SUGFXSIHIXTSKY-OAHLLOKOSA-N 400.862 3.492 0 40 HGAB CCOc1ccccc1NC(=O)COC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 8039932 PTXGTYRNGCUVJZ-AWEZNQCLSA-N 416.861 3.274 0 40 HGAB Cc1nc(SCC(=O)NC(=O)Nc2ccc3c(c2)OCO3)n(CC(C)C)c1C 8483893 DVVJRXUUJSUQLU-UHFFFAOYSA-N 404.492 3.325 0 40 HGAB CCCC(=O)NC(=S)Nc1cccc(Cl)c1N1CCN(C(=O)C(C)C)CC1 8904527 LJICGVNSBLGPGI-UHFFFAOYSA-N 410.971 3.258 0 40 HGAB O=C(CCC(=O)c1ccc2c(c1)OCCCO2)OCCCn1c(=O)[nH]c2ccccc21 8945989 MNAWEWWARMHBFO-UHFFFAOYSA-N 424.453 3.087 0 40 HGAB COc1ccc(Br)cc1CNCCSc1nnnn1-c1ccccc1 9249986 DVSBSJRUGADLHB-UHFFFAOYSA-N 420.336 3.315 0 40 HGAB O=C1CN(C(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)c2ccccc2N1 9464171 LQXNTKDELWDHTR-UHFFFAOYSA-N 416.462 3.110 0 40 HGAB O=C(COc1ccccc1C(=O)Nc1ccccc1)Nc1ccc2[nH]c(=O)[nH]c2c1 9514862 KVUBAMDPLBLVFP-UHFFFAOYSA-N 402.410 3.126 0 40 HGAB CCOc1ccc(CCNC(=O)c2cccc(N3C(=O)CCC3=O)c2)cc1OCC 9516815 XPSGMHTXLASVJV-UHFFFAOYSA-N 410.470 3.110 0 40 HGAB O=C(CCNS(=O)(=O)c1cccs1)Nc1ccc2c(c1)OC1(CCCC1)O2 9834469 YZYXVCHTDLTNGJ-UHFFFAOYSA-N 408.501 3.097 0 40 HGAB Cc1ccnc(SCc2cc(=O)[nH]c(Nc3nc(C)c4cccc(C)c4n3)n2)n1 9939122 IOHKONLTZGWTQG-UHFFFAOYSA-N 405.487 3.464 0 40 HGAB CCOC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccccc3OC)[nH]2)cc1 10475512 RICUKFXOHJEKGR-UHFFFAOYSA-N 412.471 3.388 0 40 HGAB Cc1ccc(N2N=C(C(=O)O[C@H](C)C(=O)N3CCC(C)CC3)CCC2=O)cc1Cl 11954977 BCMGVIJZISNNRY-OAHLLOKOSA-N 419.909 3.321 0 40 HGAB CC(C)c1cc(C(F)(F)F)n2nc(C3CCN(C(=O)Cn4cccn4)CC3)cc2n1 12160413 GHRNERAFOVRBCY-UHFFFAOYSA-N 420.439 3.474 0 40 HGAB Cc1nc(C)c(C(=O)N2CCC(c3ncc(Cl)cc3S(C)(=O)=O)CC2)s1 12186880 MAHZVGDNMQHTFR-UHFFFAOYSA-N 413.952 3.232 0 40 HGAB CC(=O)N1CCCc2cc(S(=O)(=O)NCc3ccc(OC(F)F)cc3)ccc21 12759084 UCQOGEOWRNEMBB-UHFFFAOYSA-N 410.442 3.066 0 40 HGAB CCOC(=O)[C@H]1CSCCN1S(=O)(=O)c1c(C)c(Cl)cc(C)c1Cl 12855087 IQWJFDIFJTZCLB-GFCCVEGCSA-N 412.360 3.279 0 40 HGAB C[C@@H](OC(=O)[C@@]12CCC(=O)N1c1ccccc1S2)C(=O)NCC1CCCCC1 12909248 UBZQQCLBPXZHJN-SZNDQCEHSA-N 402.516 3.244 0 40 HGAB COc1cc(Br)c(OC)c(C(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)c1 13008231 KFFNSYKIMHQPRN-VIFPVBQESA-N 421.247 3.438 0 40 HGAB CCOc1ccc(/C=c2\sc3nc(-c4ccc(C)cc4)nn3c2=O)cc1OCC 13618511 ZZEMQIJLPMMGEW-UYRXBGFRSA-N 407.495 3.472 0 40 HGAB Cc1ccccc1CNC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 13688468 YYBNVSQONHDSCO-UHFFFAOYSA-N 406.935 3.366 0 40 HGAB O=C(Cn1nnc(-c2ccccc2Cl)n1)Nc1ccccc1C(=O)NC1CCCC1 14253246 BIZINSWXHUNFGU-UHFFFAOYSA-N 424.892 3.305 0 40 HGAB COC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 15327358 DDSDHSFNXXSNHX-HNNXBMFYSA-N 421.824 3.421 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCC[C@H]2CC(=O)NC2CCCCCC2)cc1 15391172 NEZAVIYRFOEBOK-SFHVURJKSA-N 408.564 3.468 0 40 HGAB Cc1ccn2c(=O)cc(COc3ccccc3NS(=O)(=O)c3ccccc3)nc2c1 15865432 HASFLLKLZXEHCV-UHFFFAOYSA-N 421.478 3.383 0 40 HGAB Cc1ccc(OCCNC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc1 15934908 FXGSYOXTOYZFCL-UHFFFAOYSA-N 411.527 3.300 0 40 HGAB Cn1c(=O)n(C)c2cc([C@H](O)COc3ccc(CNCc4ccccc4)cc3)ccc21 16363944 KIGAGINDZIJYTA-XMMPIXPASA-N 417.509 3.279 0 40 HGAB CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc(Br)cc1F 18099413 QNAILJSKPZDCCK-UHFFFAOYSA-N 404.239 3.487 0 40 HGAB O=C(CCCC(=O)N1CCN(c2ccccn2)CC1)Nc1ccc(N2CCCC2)cc1 18179704 KOHKRNTVKPAPFE-UHFFFAOYSA-N 421.545 3.139 0 40 HGAB Cc1ccc(O[C@H](C)C(=O)NCc2ccc(-c3ccnc4ncnn34)cc2)cc1C 19214234 ZZOFHNHQRLTKGL-QGZVFWFLSA-N 401.470 3.492 0 40 HGAB COc1ccc(CC(=O)N[C@@H](Cc2cc(=O)[nH]c(C)n2)c2ccc(Cl)cc2)cc1 19285297 GRFCWMWNUJDKPI-FQEVSTJZSA-N 411.889 3.383 0 40 HGAB O=C(Cc1cccnc1)N1CC[C@@H]2[C@H](C1)[C@@H](c1ccc(F)cc1)CN2C(=O)C1CC1 19338449 AXRLXPVUAOUOGZ-YPAWHYETSA-N 407.489 3.016 0 40 HGAB CC(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCN(S(=O)(=O)C(C)C)C3)cc2N1 19451385 RHIOSNUKLDLTOU-VNHYZAJKSA-N 408.490 3.354 0 40 HGAB Cc1noc2nc(C3CCN(C(=O)[C@@H](C)N4CCCC4=O)CC3)cc(C(F)(F)F)c12 19564446 PYSVADJWIFWCKL-GFCCVEGCSA-N 424.423 3.267 0 40 HGAB COc1ccc(CC(=O)N[C@@H](Cc2cc(=O)[nH]c(C)n2)c2ccc(F)cc2)cc1C 19571230 UFVITAWAXAJDNW-FQEVSTJZSA-N 409.461 3.177 0 40 HGAB CN(C(=O)CN1C(=O)N2CCCN=C2c2cnn(-c3ccccc3)c21)C1CCCCC1 19585837 LCXFXWDWCPDQKZ-UHFFFAOYSA-N 420.517 3.056 0 40 HGAB Cc1nc([C@@H]2CCCN(C(=O)Cc3ccccc3)C2)ncc1C(=O)N1CCCCC1 19763022 ZWZQAORTEUFTSX-HXUWFJFHSA-N 406.530 3.360 0 40 HGAB COc1ccc([C@@H](C)NC(=O)CCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 20024515 OXJZMLICBBWXCR-QGZVFWFLSA-N 416.543 3.290 0 40 HGAB O=C(/C=C/c1ccc2c(c1)OCO2)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 20045098 ANVDKTFMXUVNBB-VZUCSPMQSA-N 423.450 3.263 0 40 HGAB Cc1ccc(C)c(N(CC(=O)Nc2ccc(OC(C)C)cc2)S(=O)(=O)N(C)C)c1 20244895 VZDKWTQOLSDTKK-UHFFFAOYSA-N 419.547 3.342 0 40 HGAB COc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccc(F)cc2F)c1 22229864 WMTHZCAJZWLAOE-KRWDZBQOSA-N 410.442 3.074 0 40 HGAB CCN(CC)C(=O)COc1ccc(N(Cc2ccc(F)cc2)S(C)(=O)=O)cc1 22232709 MVEAFZBYUVTINX-UHFFFAOYSA-N 408.495 3.039 0 40 HGAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)cc1Cl 22539388 IMPVZTOWFFBNBF-NEPJUHHUSA-N 414.886 3.032 0 40 HGAB CS(=O)(=O)c1ccc(Nc2nc(CC(=O)NCc3cccs3)cs2)cc1 23236800 OOKYJCQZMDVCTF-UHFFFAOYSA-N 407.542 3.211 0 40 HGAB COc1ccc(C(=O)c2cnc3ccc(F)cc3c2N2CCC(C(N)=O)CC2)cc1 23643505 MFJRFBNSDYKFMA-UHFFFAOYSA-N 407.445 3.315 0 40 HGAB O=C(CN1c2cccc3cccc(c23)S1(=O)=O)OCc1ccc(-n2cccn2)cc1 24418942 ZWCXPJXVJOHWLV-UHFFFAOYSA-N 419.462 3.278 0 40 HGAB CCOC(=O)c1sc2ncnc(NCC(C)(C)N3C[C@@H](C)O[C@H](C)C3)c2c1C 24528294 JWKGELGXBMFBEC-CHWSQXEVSA-N 406.552 3.476 0 40 HGAB CSc1ccc(S(=O)(=O)NCc2ccccn2)cc1C(=O)N1CCC(C)CC1 26118647 VBBWENWLHVYCPM-UHFFFAOYSA-N 419.572 3.154 0 40 HGAB CS(=O)(=O)N1C[C@H](C(=O)Nc2ccc(Cl)c(Cl)c2)Oc2ccccc21 30938770 RKUKAORYVHVUJG-OAHLLOKOSA-N 401.271 3.159 0 40 HGAB O=C(COc1ccc(Br)cc1F)Nc1ccc(C(=O)NC2CC2)cc1 32869248 FIKSFNZRJFRUFW-UHFFFAOYSA-N 407.239 3.498 0 40 HGAB COc1cc(OC)c(N2C[C@@H](C(=O)N3CCc4sccc4C3)CC2=O)cc1Cl 32883733 QHCYZHPPVGRPJT-ZDUSSCGKSA-N 420.918 3.357 0 40 HGAB CCOC(=O)c1ccn(-c2cccc(NC(=O)CSc3nc(C)cc(C)n3)c2)n1 32926580 MQBJAYASHDOSPU-UHFFFAOYSA-N 411.487 3.187 0 40 HGAB CSCC[C@@H](NC(=O)COc1ccccc1)C(=O)N(C)Cc1ccc(F)cc1 32967335 MWAHLTYQWQOEMY-LJQANCHMSA-N 404.507 3.101 0 40 HGAB O=C1C[C@H](C(=O)N2CCN(Cc3ccccc3)CC2)CN1Cc1ccc(Cl)cc1 35686367 BARVRAOINCPKQW-FQEVSTJZSA-N 411.933 3.033 0 40 HGAB CCn1ncc(CNC(=O)c2cc(-c3cccc(OC)c3)nc3c2c(C)nn3C)c1C 36616960 LZIIKYOHSLDCCV-UHFFFAOYSA-N 418.501 3.407 0 40 HGAB O=C(c1cn(-c2cccc(Br)c2)nn1)N1CCC[C@@H](C(F)(F)F)C1 40073881 SWAGSEXXIIDHBG-SNVBAGLBSA-N 403.202 3.444 0 40 HGAB O=C(NCCCCN1CCOCC1)Nc1cccc(C(=O)Nc2cccc(F)c2)c1 40152308 GHONLWFHJAYMIO-UHFFFAOYSA-N 414.481 3.312 0 40 HGAB Cc1ccc([C@H]2NC(=O)N(CC(=O)Nc3c(C)cc(C)cc3C)C3=C2C(=O)OC3)cc1 49402842 VGTGSYGUOAIVHO-JOCHJYFZSA-N 419.481 3.436 0 40 HGAB Cc1noc([C@H]2CCCN(C(=O)[C@@H](NC(=O)c3ccc(Cl)cc3)C(C)C)C2)n1 54661344 BOPOCRZARUYTFY-RDJZCZTQSA-N 404.898 3.192 0 40 HGAB O=C1CCc2cc(S(=O)(=O)N3CCC[C@H]3Cc3ccc(F)cc3)c(F)cc2N1 55298789 OWSRKBSRTATSHV-INIZCTEOSA-N 406.454 3.245 0 40 HGAB CC[C@@H](c1nnnn1C1CCCC1)N(CCCO)Cc1cc2cccc(C)c2[nH]c1=O 57645739 HLZTVBMDAGJJFA-FQEVSTJZSA-N 424.549 3.274 0 40 HGAB O=C(NCc1cc(Cl)c2c(c1)OCCCO2)[C@H]1CCCN(C(=O)N2CCCC2)C1 58342035 PVYIOASMUFPHFX-INIZCTEOSA-N 421.925 3.045 0 40 HGAB Cc1nc2cc(NC(=O)[C@H]3CCCN(c4cc(-n5cccn5)ncn4)C3)ccc2s1 70638115 YVMMSDYPZRTEQW-HNNXBMFYSA-N 419.514 3.436 0 40 HGAB CNc1cc([C@H]2CC(=O)N(Cc3ccccc3)C2)nc(CN(C)C(=O)C(C)(C)C)n1 72391857 PUSHHGUKGTWKFY-KRWDZBQOSA-N 409.534 3.039 0 40 HGAB Cc1cc(C)n(CC2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)n1 77099455 AGCABULDYHNEHT-UHFFFAOYSA-N 418.382 3.425 0 40 HGAB Cc1ccc(-c2ccc(C(=O)N3CCN(c4ncccc4C(N)=O)CC3)c(F)c2)cc1 78610078 DONJCLYIJWVEKB-UHFFFAOYSA-N 418.472 3.257 0 40 HGAB CC(=O)c1ccc(N2CCN(CC(=O)Nc3cccc(Br)c3)CC2)cc1 89292251 KDRMPIPJMLCXDP-UHFFFAOYSA-N 416.319 3.412 0 40 HGAB O=C(N[C@H](Cc1ccccc1)Cc1c[nH]cn1)c1cccc(OCC(F)(F)F)n1 89830166 NGEPGICWHZZWRW-OAHLLOKOSA-N 404.392 3.330 0 40 HGAB COc1ccc2c(c1)O[C@]1(C[C@@H]3CC[C@@H]1C[C@@H]3C(=O)NCc1ccccc1F)NC2=O 100181636 BQMNYYYNDCZDBI-ZKNAWHEASA-N 424.472 3.405 0 40 HGAB COc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(C)c(Cl)c4)C(=O)[C@H]3N3CCCN23)cc1 100807789 ZWKGDCTXNBEQDU-UFYCRDLUSA-N 411.889 3.193 0 40 HGAB O=C1C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)C(=O)C1c1nc2ccccc2s1 102979000 XNYJESMBSPZZFV-UHFFFAOYSA-N 419.245 3.398 0 40 HGAB COc1ccc([C@H](C)NC(=O)[C@@H](C)N(c2ccc(F)c(F)c2)S(C)(=O)=O)cc1 113956655 BFZMCNRFFQGLAX-QWHCGFSZSA-N 412.458 3.005 0 40 HGAB COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)[C@@H](C)Oc1cc(C)ccc1C 216440045 TZSSGGYEWYGBBG-MRXNPFEDSA-N 420.531 3.405 0 40 HGAB CCOC[C@@]1(CN)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(OC)cc1 218121857 ZJNJMNNUEPNQEG-SLFFLAALSA-N 409.935 3.270 0 40 HGAB CCOC(=O)c1cccc(NC(=O)[C@H](CC)N(c2ccccc2)S(C)(=O)=O)c1 219082771 FIZDHLQEJIDQEB-SFHVURJKSA-N 404.488 3.047 0 40 HGAB COC(=O)c1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCO)o2)cc1 223601298 BYWBINNCJHLXOD-VQTJNVASSA-N 423.494 3.093 0 40 HGAB OCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(Cl)cn1 223629086 QFZRCJUSJJJKIB-RBUKOAKNSA-N 413.934 3.276 0 40 HGAB CC[C@H](C(=O)NCCOc1cc(C)cc(C)c1)N(c1cccc(C)c1)S(C)(=O)=O 224101206 ZLNJFSAYEDCYSL-OAQYLSRUSA-N 418.559 3.352 0 40 HGAB O=C1CCC(=O)N1c1ccc(S(=O)(=O)NCc2ccc(Cl)cc2Cl)cc1 225077943 CNSFORQMUIGKKU-UHFFFAOYSA-N 413.282 3.125 0 40 HGAB O=c1c(=Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)sc2ncnn12 254568382 AWUQOKZUWMPXDS-UHFFFAOYSA-N 405.870 3.205 0 40 HGAB CCOC(=O)[C@@H]1[C@H](c2ccc(Cl)cc2Cl)NC(=O)N(C)[C@@]1(O)C(F)(F)F 257173227 HCTJVFJACMCBSF-MJVIPROJSA-N 415.195 3.120 0 40 HGAB Cc1cnc(-c2nnc([C@H]3CCCCN3S(=O)(=O)c3ccc(F)c(F)c3)o2)cn1 257249121 JGWUQOCBATVDQD-MRXNPFEDSA-N 421.429 3.029 0 40 HGAB Cc1cc(Cc2ccccc2F)cc([C@H]2CN(C(=O)c3ccc(N)nc3)CCO2)n1 257254920 KFFTYTBSKYDHBT-OAQYLSRUSA-N 406.461 3.311 0 40 HGAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccccc2SC)cc1C 408620437 JRDKXOXLHVNGAV-AWEZNQCLSA-N 408.545 3.421 0 40 HGAB O=C(c1cc2cc(NS(=O)(=O)c3ccccc3)ccc2s1)N1CCOCC1 408712898 AFOCNIMMFJSRHR-UHFFFAOYSA-N 402.497 3.175 0 40 HGAB COc1cc([C@@H]2CC(=O)N=C3N=CNN32)cc(Cl)c1OCc1cccc(F)c1 409376017 SGLBIXAEQWXEIQ-HNNXBMFYSA-N 402.813 3.243 0 40 HGAB Cc1c([C@@H](C)NCc2cccc(CS(C)(=O)=O)c2)nnn1-c1ccc(F)cc1 531708752 TVVUAZZVYNWIDG-CQSZACIVSA-N 402.495 3.110 0 40 HGAB Cc1cc(C)cc(S(=O)(=O)N2CC3(C[C@H](OCc4ccncc4)CS3)C2)c1 575405043 QUGHKXBRPKYWMM-SFHVURJKSA-N 404.557 3.164 0 40 HGAB O=C(CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]12)NC[C@H]1C[C@H]2C=C[C@H]1C2 604418903 SVCIPIHHLHRWRI-ZDPRRSKRSA-N 413.477 3.130 0 40 HGAB CS(=O)(=O)c1ccc(N2CC[C@]3(C2)C(=O)Nc2ccccc23)c(C(F)(F)F)c1 672254815 LGAJQTOCBAZWID-GOSISDBHSA-N 410.417 3.209 0 40 HGAB CN1CCC[C@H](c2nnc3sc(COc4ccc(Br)cc4)nn23)C1 1501040096 AEWSNCFNUPNAKR-NSHDSACASA-N 408.325 3.337 0 40 HGAB Cc1cnc(OC[C@]23CCC[C@@H]2CN(C(=O)c2cc(-c4cccnc4)on2)C3)nc1 1888904138 AIWLGOOPWYUHDH-VGOFRKELSA-N 405.458 3.156 0 40 HGAB O=C([C@@H]1CN(c2ncc(Br)cc2C(F)(F)F)CCO1)N1CCCCC1 2086861103 IATPXKXFVLHJNW-ZDUSSCGKSA-N 422.245 3.081 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccccc3Cl)C2)cc1 791723 HNIKCXWLHRXTNP-QGZVFWFLSA-N 406.935 3.366 0 40 HGAB CCn1c(SCC(=O)Nc2ccc3c(c2)OCO3)nnc1-c1ccccc1OC 2453408 DZQGMQARANWSPB-UHFFFAOYSA-N 412.471 3.433 0 40 HGAB COc1ccc(OCc2nnc(SCC(=O)N(C)Cc3ccccc3)n2C)cc1 2644657 JWCVGWGHBSMWDF-UHFFFAOYSA-N 412.515 3.153 0 40 HGAB CCOC(=O)[C@H]1[C@@H](c2ccc(C(C)(C)C)cc2)[C@@H](C(=O)OCC)C(=O)C[C@]1(C)O 4112395 WQOSIFNKORDPQG-XWQURZDVSA-N 404.503 3.150 0 40 HGAB CCc1ccc(CN(C(=O)COc2ccc(CC)cc2)[C@H]2CCS(=O)(=O)C2)cc1 4183204 SVASUHRBDZQFGW-NRFANRHFSA-N 415.555 3.406 0 40 HGAB COc1cccc(CN2C(=O)N(C(C)C)[C@H](N(O)C(=O)NC(C)C)C2(C)C)c1OC 4811365 SVMDYBIOWDRWOZ-GOSISDBHSA-N 422.526 3.264 0 40 HGAB NC(=O)c1c(NC(=O)CSc2nccn2-c2cccc(F)c2)sc2c1CCC2 5117914 MRYVQEPLLZFGNZ-UHFFFAOYSA-N 416.503 3.391 0 40 HGAB COC(=O)Cn1cc(/C=C2\NC(=O)N(Cc3ccc(C)cc3)C2=O)c2ccccc21 5149551 JAWYNHWFGUQYHD-ODLFYWEKSA-N 403.438 3.216 0 40 HGAB Cc1nc(SCC(=O)N(C)CC(=O)Nc2ccc(F)cc2)n(CC(C)C)c1C 5262901 JTOYGLFXCRGGQN-UHFFFAOYSA-N 406.527 3.484 0 40 HGAB COc1ccccc1CNC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cc1 5975308 GRPKSFKQAVYUAV-IAGOWNOFSA-N 416.543 3.292 0 40 HGAB O=C1c2ccccc2C(=O)N1CCn1cnc2sc(-c3ccccc3)cc2c1=O 6111736 SUEYSAVAFYJUGS-UHFFFAOYSA-N 401.447 3.421 0 40 HGAB COc1ccc(S(=O)(=O)NCc2ccc(Cl)cc2Cl)cc1NC(C)=O 6158788 RSXYMAUADCIUSX-UHFFFAOYSA-N 403.287 3.439 0 40 HGAB CCn1c(SCC(=O)OCC(=O)NC2CCCCC2)nnc1-c1ccccc1C 6548782 ULGLKPZWHFNJHG-UHFFFAOYSA-N 416.547 3.358 0 40 HGAB CCOC(=O)Cn1c(C)c(/C=C(\Sc2nnc(C)o2)C(=O)O)c2ccccc21 7365736 NKEGZLRYHVKBKF-SXGWCWSVSA-N 401.444 3.422 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)NC2CCCCCCC2)cc1 7375676 KLIBXMCNPNOJQX-UHFFFAOYSA-N 402.582 3.108 0 40 HGAB O=C(CSc1nc(-c2ccccc2)n[nH]1)Nc1cc(Cl)ccc1-n1cncn1 7471761 VFEONHMPODPLPC-UHFFFAOYSA-N 411.878 3.437 0 40 HGAB C[C@H](Sc1nnc(C2CC2)n1C1CC1)C(=O)c1ccc(NS(C)(=O)=O)cc1 8036093 XJBCKJIGJRGJMU-NSHDSACASA-N 406.533 3.225 0 40 HGAB CCc1ccccc1NC(=O)COc1ccc(C(=S)N2CCOCC2)cc1OC 8088391 XWNNDFJDYJJCFO-UHFFFAOYSA-N 414.527 3.283 0 40 HGAB O=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)Nc1cccc2cccnc12 8344903 HKSPQVTWCLKMFB-UHFFFAOYSA-N 401.513 3.262 0 40 HGAB CCOC(=O)[C@@](NC(=O)c1cccnc1)(Nc1nc2ccccc2s1)C(F)(F)F 8974280 WDFLPZGRUIEFJD-QGZVFWFLSA-N 424.404 3.355 0 40 HGAB COc1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccccc3Cl)C2=O)cc1Cl 9452036 VAVPJOSVFCXTRT-IBGZPJMESA-N 422.268 3.408 0 40 HGAB COc1ccc(-c2nnn(Cc3cc(Cl)c4c(c3)OCCCO4)n2)cc1OC 10032301 IPSDQPCIHQAIQT-UHFFFAOYSA-N 402.838 3.220 0 40 HGAB COc1cc(C(=O)N[C@@H]2CCSc3ccc(F)cc32)cc(Cl)c1OCC(N)=O 10309625 LVGUMZDXMVXMPE-CQSZACIVSA-N 424.881 3.319 0 40 HGAB CC(C)C(=O)Nc1ccc(NC(=O)c2ccc3c(c2)C[C@H](C)N3S(C)(=O)=O)cc1 11717888 MZISYAITDFGVTM-AWEZNQCLSA-N 415.515 3.244 0 40 HGAB Cc1ccc2c(c1)C(=O)C[C@H]([C@@H]1CCCN(C(=O)c3cc(-c4cnn(C)c4)no3)C1)O2 12237142 KDJOFUQHVKTZMU-QVKFZJNVSA-N 420.469 3.270 0 40 HGAB COc1ccc(CC(=O)N[C@@H]2CCCc3nc(-c4ccncc4)ncc32)cc1OC 12329153 DMOUJSCZEQJJKP-GOSISDBHSA-N 404.470 3.292 0 40 HGAB CSc1nc2nc(C)c(CCC(=O)N3CCN(c4cccc(C)c4)CC3)c(C)n2n1 12596838 XKMPTPJPLPTLLS-UHFFFAOYSA-N 424.574 3.053 0 40 HGAB Cc1cccc2c(=O)n(CC(=O)N[C@@H](C)c3cccc(Br)c3)cnc12 12948213 HYOHDBDUQIUJQO-ZDUSSCGKSA-N 400.276 3.345 0 40 HGAB COc1cc(N2C[C@H](C(=O)Nc3ccc(Cl)cc3)CC2=O)cc(OC)c1OC 12986703 XUELIYSISCBCGA-GFCCVEGCSA-N 404.850 3.357 0 40 HGAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)CN2CCCc3cc(C)ccc32)c1 13056282 QGIJRQQHHCAUMX-UHFFFAOYSA-N 415.559 3.417 0 40 HGAB C[C@H]1C[C@@H](C)CN([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)C1 13062938 WOVUWEXTIHITJF-KSZLIROESA-N 407.580 3.166 0 40 HGAB CCCCC(=O)N1CCC(c2nc(O)c3nnn(Cc4ccc(C)cc4)c3n2)CC1 13083124 LIKBCTISZVQOHG-UHFFFAOYSA-N 408.506 3.180 0 40 HGAB Cc1cc(-c2snnc2[C@H]2CCCN(C(=O)[C@@H](C)Cn3nc(C)cc3C)C2)on1 13225373 JMKTUCOJIARYIR-LRDDRELGSA-N 414.535 3.357 0 40 HGAB C[C@@H](C(=O)Nc1sc2c(c1C(N)=O)CCC2)N(C)Cc1nc2ccccc2s1 14197881 FGAJZCCKMBRIBK-NSHDSACASA-N 414.556 3.404 0 40 HGAB Cc1c(-c2ccccc2)sc(NC(=O)[C@H]2CCCO2)c1C(=O)N1CCOCC1 14199428 KLWMATPAZPYRMK-MRXNPFEDSA-N 400.500 3.313 0 40 HGAB COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(NC(=O)C2CC2)cc1 14234752 PPDUDMIYVFUAIO-FQEVSTJZSA-N 405.454 3.031 0 40 HGAB O=C(CN1C(=O)c2ccccc2S1(=O)=O)Nc1ccc(Cl)cc1C(F)(F)F 15019365 DXSQTXCOMURBKT-UHFFFAOYSA-N 418.780 3.142 0 40 HGAB O=C(Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1)c1cccc2cccnc12 15100473 BIWNEGGTGSZRQN-UHFFFAOYSA-N 409.389 3.328 0 40 HGAB C[C@@H](OC(=O)c1cc(Cl)cc(Cl)c1N)C(=O)N1CC(=O)Nc2ccccc21 15642763 JCDDXMFMYCOSOR-SECBINFHSA-N 408.241 3.106 0 40 HGAB CCOc1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 15657420 UCYQXVRWEZBLGG-UHFFFAOYSA-N 424.906 3.012 0 40 HGAB Cc1cccc(OCc2nnc(S[C@@H](C)C(=O)N3CC(=O)Nc4ccccc43)o2)c1 16765636 BUKKUTSABCQOSG-AWEZNQCLSA-N 424.482 3.423 0 40 HGAB CC(C)(C)c1ccc(C(=O)N2[C@H]3CC[C@@H]2CC(O)(c2ccc4c(c2)OCO4)C3)c(=O)[nH]1 19084379 ZJNYTRLBDJONBX-LZFXEFOOSA-N 424.497 3.056 0 40 HGAB Cc1cccc([C@H]2CN(C(=O)C3CCCC3)[C@@H]3CCN(C(=O)Cn4ccnc4)C[C@H]23)c1 19235235 YCJXNOPUMBRSFC-DNVJHFABSA-N 420.557 3.225 0 40 HGAB Cn1cc(-c2ccnc(N3CCCC3)n2)c([C@@H]2CCCN2C(=O)[C@H]2CC=CCC2)n1 19290189 JWVHYTZPXYHBFE-PXNSSMCTSA-N 406.534 3.497 0 40 HGAB O=C(COC[C@@H]1COc2ccccc2O1)N1CCC[C@@H](COc2ccccc2F)C1 19375734 LTLLCSSJFBFCHA-QZTJIDSGSA-N 415.461 3.300 0 40 HGAB O=C(CCOc1ccc(Cl)cc1)N1CCO[C@H](c2nc(-c3ccccn3)no2)C1 19403038 UIPBCIGAQOFNLW-KRWDZBQOSA-N 414.849 3.154 0 40 HGAB COc1cccc(CNC(=O)c2cc([C@H]3CCCN(Cc4cccnc4)C3)no2)c1 19565644 ALTMLUWURLRLNJ-IBGZPJMESA-N 406.486 3.388 0 40 HGAB Cc1cc(Cc2cccc(F)c2)cc(C2CCN(C(=O)[C@@H]3CC(=O)N(C)C3)CC2)n1 19691561 LEPKUVMKQXGPLI-HXUWFJFHSA-N 409.505 3.304 0 40 HGAB Cc1nnnn1-c1ccc(C(=O)N(Cc2ccccc2Cl)C2CCN(C)CC2)cc1 19716993 MRJTUJVUIMJRIL-UHFFFAOYSA-N 424.936 3.361 0 40 HGAB CC(=O)N[C@@H]1CCc2ccc(S(=O)(=O)N(C)Cc3ccc4ncccc4c3)cc21 19749560 YXJFLIAOHGENLW-JOCHJYFZSA-N 409.511 3.179 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)/C=C/c1ccc(C)cc1 20458152 MOZPCPFDHNIDBI-FMIVXFBMSA-N 400.500 3.440 0 40 HGAB Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1C(=O)C(=O)NCCc1ccccn1 21899921 USIHWEVLNOPMCV-UHFFFAOYSA-N 416.403 3.445 0 40 HGAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@@H](C)N1CCN(C)CC1 22038808 YPTWRGJDQKNHPC-OAHLLOKOSA-N 401.532 3.166 0 40 HGAB CC[C@@H](C)NC(=O)COc1ccc(N(Cc2ccccc2F)S(C)(=O)=O)cc1 22233385 KEXMKCXPYADCSO-OAHLLOKOSA-N 408.495 3.085 0 40 HGAB Cc1ccc(N(CC(=O)N[C@H]2CC(C)(C)Oc3ccccc32)S(C)(=O)=O)c(C)c1 22328245 HYKUQAWRUQHUTG-SFHVURJKSA-N 416.543 3.488 0 40 HGAB Clc1ccc(CN2CCN(Cn3nnc(-c4ccccc4Cl)n3)CC2)s1 22357515 KNMPNIUYVHYMLL-UHFFFAOYSA-N 409.346 3.484 0 40 HGAB COc1ccc([C@@H](CNC(=O)CN2CCc3sccc3C2)N2CCCCC2)cc1 22550066 STSIHLAXIMNJTC-OAQYLSRUSA-N 413.587 3.458 0 40 HGAB O=C(Nc1ccc(F)cc1)c1nnc(CN2CCN(Cc3ccccc3)CC2)s1 22892719 OZGLPVMQTKQQNG-UHFFFAOYSA-N 411.506 3.247 0 40 HGAB COc1ccc([C@@H](CNC(=O)c2ccccc2Br)N2CCOCC2)cc1 23106350 KYXDTGWFQPJAQP-LJQANCHMSA-N 419.319 3.261 0 40 HGAB COc1cccc(-c2nnc(S[C@H](C)C(=O)Nc3ccnn3C(C)C)n2C)c1 23468524 ZQFOANYSZNVQHB-CYBMUJFWSA-N 400.508 3.387 0 40 HGAB CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCN(c2ccccc2)CC1 24363195 XXWSCKBBQNGONR-OAQYLSRUSA-N 409.530 3.471 0 40 HGAB O=C(NCCC(c1ccccc1)c1ccccc1)N1CCN(C(=O)[C@H]2CCCO2)CC1 24561096 HBJAXRAKFJPJQJ-HSZRJFAPSA-N 421.541 3.241 0 40 HGAB CCOc1ccc(NC(=O)CN(C)Cc2nc(-c3ccco3)no2)cc1OCC 24833762 GIHBUMAYPOPQPF-UHFFFAOYSA-N 400.435 3.198 0 40 HGAB COc1ccc(-c2nn(CN3C[C@H](C)O[C@@H](C)C3)c(=S)n2C[C@@H]2CCCO2)cc1 25157336 GDHNBGQRAPLEDW-BXWFABGCSA-N 418.563 3.335 0 40 HGAB CCOC(=O)c1cnn(-c2cccc(NC(=O)c3cc(=O)[nH]c4ccccc34)c2)c1C 25993529 RGGTUTAJZAYPAO-UHFFFAOYSA-N 416.437 3.451 0 40 HGAB COc1ccc(C(=O)NCc2cccc(C)c2)cc1S(=O)(=O)N1CCCCCC1 26020560 KXJGHPQDURADBR-UHFFFAOYSA-N 416.543 3.498 0 40 HGAB CC(C)[C@@H](NC(=O)c1c(F)cccc1F)C(=O)NC[C@@H](c1cccs1)N(C)C 27676189 ZCDKMYSGXMHQPD-MAUKXSAKSA-N 409.502 3.200 0 40 HGAB CCOC(=O)c1c(C)oc2nc(CN(C)CCOc3ccccc3Cl)[nH]c(=O)c12 29154214 QNRXTOLOALSHMV-UHFFFAOYSA-N 419.865 3.165 0 40 HGAB CNC(=O)[C@H]1CCCCN1Cn1nc(-c2ccc(C(C)(C)C)cc2)n(C)c1=S 32823917 RDHUDDZHSBVCTD-QGZVFWFLSA-N 401.580 3.474 0 40 HGAB NC(=O)[C@H](c1ccccc1)N1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 34890407 PNESZVCNXRBPFR-KRWDZBQOSA-N 407.301 3.370 0 40 HGAB CN(C)C(=O)CSc1ccccc1C(=O)N(C)Cc1cnn(-c2ccccc2)c1 36874566 TUNGWGSJJFIKLE-UHFFFAOYSA-N 408.527 3.325 0 40 HGAB O=C(CCOCC(F)(F)F)N(Cc1ccccc1)Cc1nc2ccccc2c(=O)[nH]1 40070186 LJIZYBBQUGOUFB-UHFFFAOYSA-N 419.403 3.421 0 40 HGAB O=C(CCCC(=O)N1CCN(c2nsc3ccccc23)CC1)Nc1nccs1 40285309 XOWXXJGSABWMIK-UHFFFAOYSA-N 415.544 3.210 0 40 HGAB Cc1cc(NC(=O)[C@H](C)OC(=O)c2c(Br)c3ccccc3n2C)no1 46410707 BDYJUMIWZLXXOL-JTQLQIEISA-N 406.236 3.421 0 40 HGAB Cc1c(C(=O)Nc2cc(C(C)(C)C)nn2[C@@H]2CCS(=O)(=O)C2)cnn1C(C)(C)C 58088281 JRYIFVOXPWIEDI-CQSZACIVSA-N 421.567 3.052 0 40 HGAB Cc1ccc(SCCNC(=O)NCCS(=O)(=O)Nc2ccccc2)cc1C 58161211 RGIYEYWACKFZRS-UHFFFAOYSA-N 407.561 3.137 0 40 HGAB Cc1ccc(C)c([C@H]2NC(=O)N(CC(=O)Nc3c(C)cccc3C)C3=C2C(=O)OC3)c1 67288743 SVJLQJNQWRINRJ-JOCHJYFZSA-N 419.481 3.436 0 40 HGAB COc1ccccc1NC(=O)c1nnn(CC(=O)Nc2cccc(SC)c2)c1C 67322640 BGYVIHGXHXCYIF-UHFFFAOYSA-N 411.487 3.208 0 40 HGAB CC[C@H](NC(=O)CN1C(=O)N[C@@]2(C[C@H](C)CC(C)(C)C2)C1=O)c1ccc(OC)cc1 69712843 PLGAXPSLGFUTGT-KFCXZAFISA-N 415.534 3.399 0 40 HGAB CCc1ccc([C@@H](C)NC(=O)[C@H](C)N2CCC(OCCN3CCCC3)CC2)cc1 72305622 FZVQBVBSEZYQMJ-UXHICEINSA-N 401.595 3.392 0 40 HGAB Cc1ccc(C)c(S(=O)(=O)NCCC(=O)N2CCCC[C@H]2c2cccn2C)c1 72309337 XHQWOMOQNOXVJI-IBGZPJMESA-N 403.548 3.064 0 40 HGAB Brc1ccnc2c1c(I)nn2[C@H]1CCCCO1 95630970 LZBHMFYFUWVMQW-MRVPVSSYSA-N 408.037 3.498 0 40 HGAB COc1cc(NC(=O)[C@H]2CC[C@H](Cn3nnc4ccccc4c3=O)CC2)cc(OC)c1 102433545 YNMIQFLVWBGUGU-IYBDPMFKSA-N 422.485 3.254 0 40 HGAB COc1cc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3ON2c2ccccc2)ccc1O 102724581 RSIDXQXEVZMSGK-YPAWHYETSA-N 416.433 3.452 0 40 HGAB COC(=O)C1=C(c2ccc(Cl)cc2)NC(=S)N[C@@H]1c1cccc(OC)c1OC 105093889 GASRBNZAUSFRAS-QGZVFWFLSA-N 418.902 3.460 0 40 HGAB COC(=O)[C@H]1C[C@H](Oc2ccccc2F)CN1C(=O)CSCc1ccccc1 206796528 GSTUHQVWLAHPDT-FUHWJXTLSA-N 403.475 3.280 0 40 HGAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N(C)c3ccccc3)CC2)cc1C 222580385 PGIZHFHWLAAQOS-UHFFFAOYSA-N 416.543 3.457 0 40 HGAB COc1ccccc1N(CCCC(=O)N[C@@H](C)CCc1ccccc1)S(C)(=O)=O 222582847 ZESFAJJBIQLMOV-SFHVURJKSA-N 418.559 3.379 0 40 HGAB COC(=O)c1cn(C(=O)c2ccc(NS(C)(=O)=O)cc2Cl)c2ccccc12 222618919 SPXCMOJJYAHHJN-UHFFFAOYSA-N 406.847 3.141 0 40 HGAB C[C@@H](NC(=O)CCCN(C)S(=O)(=O)c1ccccc1)c1ccc2c(c1)CCC2 223230470 KKWFGZJXQOUDRL-QGZVFWFLSA-N 400.544 3.453 0 40 HGAB CCc1ccc(OCCNC(=O)[C@H](C)N(c2cc(C)ccc2C)S(C)(=O)=O)cc1 224042429 SCYRWTNJYSQOFL-SFHVURJKSA-N 418.559 3.216 0 40 HGAB Cc1ccc(C(=O)NC[C@@H]2CCCO2)cc1NS(=O)(=O)c1ccc(Cl)cc1 224051227 NFEJUDQDYWYXFR-INIZCTEOSA-N 408.907 3.358 0 40 HGAB CC[C@H]1CCCCN1CCCNC(=O)CCCN(c1ccccc1C)S(C)(=O)=O 260841205 KOEUNTSXNAIACR-FQEVSTJZSA-N 423.623 3.312 0 40 HGAB CN1C[C@H](C(=O)N(C)Cc2ccccc2)OC2(CCN(Cc3ccsc3)CC2)C1 306142885 XNEVTIWUYVHCAQ-OAQYLSRUSA-N 413.587 3.072 0 40 HGAB CNC(=O)c1cc(S(=O)(=O)Nc2ccc(Br)cc2F)ccc1C 408607784 QLBUFTFCHPKTFQ-UHFFFAOYSA-N 401.257 3.057 0 40 HGAB COc1ccc(-c2nnc(CN(C)C(=O)[C@H](C)Oc3ccc(C)cc3)o2)cc1OC 408714133 JNDMSGMOYNRXHA-HNNXBMFYSA-N 411.458 3.488 0 40 HGAB CN1C(=O)c2ccc(-c3cnn(C)c3)cc2O[C@H]2CN(Cc3ccccc3Cl)C[C@H]21 514290367 YSWPYBOWPUKGAM-IRLDBZIGSA-N 422.916 3.458 0 40 HGAB biogenic,in-vitro O=C(Cc1c(F)cc(F)cc1F)NC[C@H]1OCCc2cn(Cc3ccccc3)nc21 585112329 OQPKMILUXGEIER-HXUWFJFHSA-N 415.415 3.321 0 40 HGAB CN1C(=O)COc2ccc(NC(=O)c3cc4c(C(F)(F)F)cc(O)nc4o3)cc21 608487670 FTXDJPGOGYCSDW-UHFFFAOYSA-N 407.304 3.160 0 40 HGAB O=C1NCC2(CCCCCOc3ccccc31)CCN(C(=O)CCn1ccnc1)CC2 643558017 GGXVNDFOLXLQSM-UHFFFAOYSA-N 424.545 3.265 0 40 HGAB COC(=O)C1=CC(C(=O)c2cccs2)=NN(c2cccc(Cl)c2)[C@H]1C(=O)OC 1022027 DOJVQYXDXQIGNC-MRXNPFEDSA-N 418.858 3.101 0 40 HGAB C[C@@](O)(CS(=O)(=O)Cc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1 1388610 RYXPMVVFTVNCTN-QGZVFWFLSA-N 402.299 3.298 0 40 HGAB Cc1cc(C(F)F)nn1CC(=O)Nn1c(C)nc2sc3c(c2c1=O)CC[C@H](C)C3 2779061 NBJPLPVABHFIAZ-VIFPVBQESA-N 421.473 3.104 0 40 HGAB CCS(=O)(=O)c1ccc2oc(SCC(=O)NCCc3ccccc3)nc2c1 3267352 TVRFWXLRIGPFMV-UHFFFAOYSA-N 404.513 3.072 0 40 HGAB Cc1ccc(NC(=O)COC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccco2)cc1F 3319359 GBMNLTMAMQOAMU-IBGZPJMESA-N 424.428 3.250 0 40 HGAB COc1ccc(NC(=O)[C@H]2Cc3ccccc3CN2S(=O)(=O)c2ccccc2)cc1 3406466 BMOXXJBKSWPTCK-JOCHJYFZSA-N 422.506 3.450 0 40 HGAB Cc1cc(Br)ccc1SCC(=O)OCn1nnc2ccccc2c1=O 3438217 YMGDREKLNMCKDE-UHFFFAOYSA-N 420.288 3.155 0 40 HGAB COc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)cc1OC 3565538 AGQZHWBQLOACPK-UHFFFAOYSA-N 424.906 3.394 0 40 HGAB CC(=O)c1ccc(S(=O)(=O)N[C@H](C)c2nc(-c3ccc(Cl)cc3)n[nH]2)cc1 5001900 VSBGNBNYMQHUMJ-LLVKDONJSA-N 404.879 3.367 0 40 HGAB CC[C@H](C(=O)Nc1ccc(Br)cc1F)n1nnc2ccccc2c1=O 5324104 GZAHLVBCKRXORB-OAHLLOKOSA-N 405.227 3.283 0 40 HGAB CS(=O)(=O)N1CCCc2cc(NC(=O)c3ccccc3Br)ccc21 5375492 HBVZAKHARXPGNZ-UHFFFAOYSA-N 409.305 3.414 0 40 HGAB C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3ccc4c(c3)CCC4)cc2)C[C@@H](C)O1 6236232 SPKXZZJBMSNUBH-IYBDPMFKSA-N 414.527 3.226 0 40 HGAB CCCCCNC(=O)CCc1ccc(S(=O)(=O)NCCc2ccccc2)cc1 6596815 VTFZFVRNEMKLKC-UHFFFAOYSA-N 402.560 3.447 0 40 HGAB Cc1c(OCC(=O)NC2CC(C)(C)NC(C)(C)C2)ccc2c3c(c(=O)oc12)CCC3 6658895 AUMBWGSAIDFFMX-UHFFFAOYSA-N 412.530 3.394 0 40 HGAB COc1ccc(-c2nc3n(n2)[C@@H](c2cccc(C)c2)C(C(N)=O)=C(C)N3)cc1OC 6732417 NJHREVLGEWZZKU-IBGZPJMESA-N 405.458 3.045 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(Oc2ccc(C)cc2)c(N[C@@H](C)C(N)=O)c1 6831668 TUKOFBXLJKBWTP-HNNXBMFYSA-N 405.520 3.104 0 40 HGAB CCN(CC)C(=S)S[C@@H](C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 8393972 GNWZEMBUJGNPJL-AWEZNQCLSA-N 406.577 3.171 0 40 HGAB CCOC(=O)c1ccccc1NC(=O)CCCN(c1ccc(C)cc1)S(C)(=O)=O 8477989 ZIMURNAVYPBRRZ-UHFFFAOYSA-N 418.515 3.357 0 40 HGAB CC(=O)Nc1ccc(NC(=O)CCCN(c2ccc(Cl)cc2)S(C)(=O)=O)cc1 9194695 OAGZPIPERLVHNZ-UHFFFAOYSA-N 423.922 3.483 0 40 HGAB COc1cc(C(=O)N[C@H]2CCSc3ccc(F)cc32)cc(Cl)c1OCC(N)=O 10309627 LVGUMZDXMVXMPE-AWEZNQCLSA-N 424.881 3.319 0 40 HGAB C[C@H](CNC(=O)Cn1cnc2sccc2c1=O)c1nc2ccccc2n1C(F)F 10638584 FHCJAKQHDJYADF-LLVKDONJSA-N 417.441 3.123 0 40 HGAB COc1ccc(-c2ccc(=O)n(CCCC(=O)NCc3ccccc3)n2)cc1OC 11693344 ZUXSUTSDNIHXLZ-UHFFFAOYSA-N 407.470 3.024 0 40 HGAB Cc1nccn1[C@@H](C)CC(=O)N1CCC[C@H](c2nc3ccccc3cc2C(N)=O)C1 12221638 GGEHCOGTQONVSV-YJBOKZPZSA-N 405.502 3.196 0 40 HGAB O=C(NCc1nc2ccccc2[nH]1)c1ccc2c(=O)n3c(nc2c1)CCCCCC3 12530383 KJASFLYSPPRXHG-UHFFFAOYSA-N 401.470 3.319 0 40 HGAB CCc1ccccc1NC(=O)CN(C)C(=O)[C@@H]1CC(=O)N(Cc2ccc(C)cc2)C1 12762593 NSCPQXCCDHUOAS-HXUWFJFHSA-N 407.514 3.003 0 40 HGAB COc1ccc(F)cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc2c(C)cccc2C)C1 13580615 BTOMSSRXWRJPGS-INIZCTEOSA-N 420.506 3.491 0 40 HGAB CCOc1ccc(CNC(=O)[C@@H](C)N(c2cc(C)ccc2C)S(C)(=O)=O)cc1 13674091 IQLMBYITVMIXFL-QGZVFWFLSA-N 404.532 3.173 0 40 HGAB COc1ccc(C)cc1[C@H](C)NC(=O)[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(C)C 14183532 LZSNDQQHAYWWRQ-UWJYYQICSA-N 418.559 3.492 0 40 HGAB Cc1sc(NC(=O)CN2C(=O)NC3(CCCC3)C2=O)nc1-c1ccc(F)cc1 14911080 LYLAARODDIQKPI-UHFFFAOYSA-N 402.451 3.061 0 40 HGAB COc1cc(CNC(=O)c2cnc3sccn3c2=O)ccc1OCc1ccccc1 15537533 CYAPFORGAJSKNL-UHFFFAOYSA-N 421.478 3.274 0 40 HGAB Cc1ccc(NC(=O)N2Cc3nc[nH]c3C[C@H]2c2nc(-c3ccncc3)no2)cc1 15675914 CTAIHYNDJUBDIN-SFHVURJKSA-N 401.430 3.495 0 40 HGAB biogenic,in-vitro O=C(Nc1cccc(C(F)(F)F)c1)c1c2c(nn1[C@H]1CCS(=O)(=O)C1)CCC2 16850882 XQTQGTCDDRYJQO-ZDUSSCGKSA-N 413.421 3.003 0 40 HGAB Cc1nc2cc(C(=O)OCC(=O)N3C[C@H](C)O[C@H](C)C3)ccc2n1-c1ccccc1 17995990 AAYQSLAFZPFUSM-IYBDPMFKSA-N 407.470 3.127 0 40 HGAB CCCC(=O)N1CCC[C@@H](c2nc(O)c3nnn(Cc4cccc(Cl)c4)c3n2)C1 18203865 QPDWATRSXJUVIP-CQSZACIVSA-N 414.897 3.135 0 40 HGAB CC1(C)Cc2nc(N3CCCC3)ncc2[C@@H](NC(=O)Cc2ccc3c(c2)OCO3)C1 19461405 GTKGQIMICSCWID-KRWDZBQOSA-N 408.502 3.178 0 40 HGAB CCOC(=O)[C@]1(Cc2cc(-c3ccccc3)no2)CCCN(C(=O)[C@H]2CCCO2)C1 19529924 BNVHCVBUCPPHEX-OFNKIYASSA-N 412.486 3.235 0 40 HGAB Cc1nn(C)cc1NC(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1C(=O)c1ccc(F)cc1 19583940 OTEONDLJQSYLTC-NHCUHLMSSA-N 420.488 3.437 0 40 HGAB O=C(N[C@H]1C[C@H]2CC[C@@H]1C2)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1 19868352 MBHKQEIKCNJZJO-WDYCEAGBSA-N 410.967 3.187 0 40 HGAB COc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)Nc1cc(F)ccc1C 20015734 KNRRDVVOPQSNBA-UHFFFAOYSA-N 400.859 3.055 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@@H](C)c3ccc(F)cc3)C2)cc1 20041527 VXLDKUPTQULLKH-RDJZCZTQSA-N 420.506 3.112 0 40 HGAB CC[C@H](NC(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O)c1ccc(OC)cc1 20462520 MNTIPUXHIBJEHN-IBGZPJMESA-N 404.532 3.346 0 40 HGAB COc1ccc(CN2C(=O)c3ccc(C(=O)Nc4cccc(O)c4)cc3C2=O)cc1 20737686 YWJFFQZCGSKNLW-UHFFFAOYSA-N 402.406 3.449 0 40 HGAB Cc1c(NC(=O)CCCc2nc(-c3ccco3)no2)c(=O)n(-c2ccccc2)n1C 21524097 BPGHTCZXEAUIRU-UHFFFAOYSA-N 407.430 3.089 0 40 HGAB CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1 22246199 MRTIOBSSTABDNV-QFIPXVFZSA-N 408.523 3.235 0 40 HGAB CCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ncccc3O)c2)cc1 22265209 IZAYDFUAKNJGHW-UHFFFAOYSA-N 413.455 3.239 0 40 HGAB CC(C)c1ccccc1N(CC(=O)NCCCc1ccc(F)cc1)S(C)(=O)=O 22401087 YUXRLHCOXVOLPC-UHFFFAOYSA-N 406.523 3.464 0 40 HGAB Cc1ccc(-c2noc(CN3CCN(Cc4nnc(-c5ccco5)o4)CC3)n2)cc1 22840999 LUIBHJOPCKMHBB-UHFFFAOYSA-N 406.446 3.006 0 40 HGAB CC(C)C(=O)NC[C@@H](c1ccc2c(c1)OCO2)N1CCN(c2ccc(F)cc2)CC1 22851503 IPNFEQRKQLVKIS-FQEVSTJZSA-N 413.493 3.190 0 40 HGAB CNC(=O)NC(=O)[C@@H](c1ccccc1)N(C)Cc1cc(Br)ccc1OC 23995959 DQLPDZZDPIRGNO-QGZVFWFLSA-N 420.307 3.086 0 40 HGAB COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2C(=O)NCC(C)C)c1 26533726 NBQVFYCHHLDFLZ-UHFFFAOYSA-N 424.906 3.313 0 40 HGAB O=S(=O)(N[C@@H](CN1CCOCC1)c1ccccc1)c1cccc(C(F)(F)F)c1 26959199 NRDRTCXVQWTPPH-SFHVURJKSA-N 414.449 3.057 0 40 HGAB COc1ccccc1CN(C)C(=O)CN(c1cccc2ccccc12)S(C)(=O)=O 30848933 DVHNTIHKCFJDMT-UHFFFAOYSA-N 412.511 3.273 0 40 HGAB CN(C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)[C@H]1CCc2ccccc21 32905671 UFCMFZQNDTWADX-UTKZUKDTSA-N 416.518 3.372 0 40 HGAB CC(C)c1ccc([C@@H](C)NS(=O)(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1 32909112 VZVBZWZXMGGMDZ-OAHLLOKOSA-N 410.561 3.100 0 40 HGAB O=C1N=C(O)[C@@]2(Cc3cccc(F)c3N3CCSC[C@H]32)C(=O)N1c1ccccc1 33429123 QAAVQFGXSNZOPE-KKSFZXQISA-N 411.458 3.413 0 40 HGAB CCOc1ccc(Oc2ccc(NC(=O)CN3CCN(C(=O)C4CC4)CC3)cc2)cc1 35267868 KJMAKJBIUKCKJP-UHFFFAOYSA-N 423.513 3.370 0 40 HGAB CC(C)(C)c1nnc(NC(=O)CCCCCn2nnc3ccccc3c2=O)s1 36360839 ZFKUWIAQMXLZJX-UHFFFAOYSA-N 400.508 3.140 0 40 HGAB Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)N[C@@H](C)c1cc2ccccc2o1 36390900 XGAZSUAKAYVLNF-ZDUSSCGKSA-N 405.458 3.001 0 40 HGAB Cc1cc(C(=O)N[C@@H](C)Cc2cn(C)nc2C)c2c(C)nn(-c3ccccc3)c2n1 36614281 REHADNBIPNEXRW-AWEZNQCLSA-N 402.502 3.440 0 40 HGAB C[C@@H](C(=O)NCc1ccccc1)S(=O)(=O)Cc1cc(Cl)c2c(c1)OCCCO2 40106130 XAXALAIQOPGIAH-AWEZNQCLSA-N 423.918 3.121 0 40 HGAB O=C(COC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl)NC1CCCC1 47770321 CTYCQLSUPFNDPR-MRXNPFEDSA-N 413.301 3.200 0 40 HGAB CCOCc1ccccc1CNC(=O)C[C@@](O)(c1nc(C)cs1)C(F)(F)F 48339777 ZMSCPSDACKYMJS-QGZVFWFLSA-N 402.438 3.444 0 40 HGAB O=C(CC1CCCCC1)NC1CCN(C(=O)c2cn(-c3ccc(F)cc3)nn2)CC1 49406067 CUPMXZGKQRGXTL-UHFFFAOYSA-N 413.497 3.098 0 40 HGAB O=C1C[C@H](c2cccc(Cl)c2)[C@H](n2cncn2)C(=O)[C@@H]1[C@H]1NCCc2ccccc21 49772130 YACGSFQFKLDZPH-GBAJDQEWSA-N 420.900 3.302 0 40 HGAB O=C(CN1CCCN(CC2CCCCC2)CC1)NCc1ccc(OC(F)F)cc1 54319100 CPRUZNXLSKYLBW-UHFFFAOYSA-N 409.521 3.492 0 40 HGAB Cc1ccc(NC(=O)Cn2c(=O)n(-c3ccccc3)c(=O)c3sccc32)cc1F 57428825 QECYVOVSAIVJBW-UHFFFAOYSA-N 409.442 3.300 0 40 HGAB COC(=O)c1cc(OCC(=O)Nc2cccc(C)c2)c2cc(OC)c(OC)cc2n1 65033465 PDXGPTVQPXUEHR-UHFFFAOYSA-N 410.426 3.365 0 40 HGAB O=C(CN1CCCC1)N1CCC[C@H](c2nc(O)c3c4c(sc3n2)CCCC4)C1 72334892 FCGPSUBELNDWPR-AWEZNQCLSA-N 400.548 3.078 0 40 HGAB CNc1nc([C@@H]2CCCCN2C(=O)c2cccc3cccnc23)nc2c1CCN(C)C2 72376560 UZCZPCRZXIQKPW-FQEVSTJZSA-N 416.529 3.422 0 40 HGAB NC(=O)c1ccc(-c2cnc(N)nc2[C@H]2CCCCN2C(=O)CC2CCCC2)cc1 72377086 MBOURFBXSOKVKE-LJQANCHMSA-N 407.518 3.459 0 40 HGAB COc1cccc(C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)c1OC 89471474 SXDYGQZVKPTHOK-UHFFFAOYSA-N 404.488 3.131 0 40 HGAB O=C(COc1ccc(Cl)cc1Cl)N1CCCSC[C@H]1CN1CCOCC1 90609076 MGTOETBDWVFOBZ-OAHLLOKOSA-N 419.374 3.039 0 40 HGAB CC(C)(C)OC(=O)c1cccc(CNC(=O)CCNC(=O)NC2CCCCC2)c1 95463131 CWEVTMKPSWKTAE-UHFFFAOYSA-N 403.523 3.280 0 40 HGAB COCCCOc1cccc(CNC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3F)C2)c1 97020871 SSFWWNGZGBHUSU-INIZCTEOSA-N 418.440 3.049 0 40 HGAB Cn1cc(-c2nnc(NS(=O)(=O)c3ccc4nc(C(C)(C)C)sc4c3)o2)cn1 97117132 PFLMPKRDLFETCU-UHFFFAOYSA-N 418.504 3.178 0 40 HGAB CO[C@H]1CC[C@H](C(=O)N2CCC[C@H]2c2n[nH]cc2-c2ccnc(N3CCCC3)n2)CC1 100739903 YZOQZTAWFASFFU-QKLQHJQFSA-N 424.549 3.336 0 40 HGAB CNc1cc([C@H]2CCCN(C(=O)[C@H]3CC[C@H](OC)CC3)C2)nc(-c2cccnc2)n1 100745426 XVJCQLNKJUOSCW-YTQUADARSA-N 409.534 3.492 0 40 HGAB CC(C)(C)C(=O)[C@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]2[C@H]2C=CC=NN21 104130102 VGVXLUAWOCBZCS-KLHDSHLOSA-N 420.296 3.323 0 40 HGAB Cc1ccc(NC(=O)CCCN(c2ccc3c(c2)OCO3)S(C)(=O)=O)cc1C 113943634 OJNODYYWUFDMFK-UHFFFAOYSA-N 404.488 3.217 0 40 HGAB CCOC(=O)[C@H]1C(=O)N(CCCOC)c2nc3ccccc3n2[C@H]1[C@@H]1CC=CCC1 216581507 LXQLQHPRFBRXQO-AHRSYUTCSA-N 411.502 3.496 0 40 HGAB CCOC(=O)C1(C(=O)OCC)[C@H](c2ccc(C)cc2)[C@H]1S(=O)(=O)c1ccccc1 218333399 XEHTXIXENUYGDE-RTBURBONSA-N 416.495 3.047 0 40 HGAB COc1ccc(C(=O)N(C)c2ccccc2)cc1S(=O)(=O)NCc1ccccc1 222908676 JIDMYYQOXLDCAY-UHFFFAOYSA-N 410.495 3.450 0 40 HGAB CC(C)[C@H](C)NC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O 225192973 WHTBKRSDTWEKPT-JTQLQIEISA-N 400.850 3.286 0 40 HGAB O=C1CCCN1CCOc1cccc(C(=O)N2CCC[C@H]2CCc2ccncc2)c1 257284945 PEYWAXDLFFJURJ-NRFANRHFSA-N 407.514 3.320 0 40 HGAB c1ccc(N2CCCCC2)c(CN2CCOC[C@H](Cc3ccc4nccn4n3)C2)c1 257298875 RNPOFLFCOLWVJO-HXUWFJFHSA-N 405.546 3.411 0 40 HGAB Cc1nc2cc([C@H]3CCCN3Cc3cccnc3)nn2c(C)c1CCC(=O)NC1CC1 257339089 ZADYLDOXBNKUCU-JOCHJYFZSA-N 418.545 3.289 0 40 HGAB Cc1csc(CN2CCO[C@]3(CCCC[C@H]3NC(=O)c3scnc3C)C2)n1 306126766 FETFAZODBLIRHB-DNVCBOLYSA-N 406.577 3.160 0 40 HGAB CCCCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(OCC)c(Cl)c2)C1 408620265 IZINKLRYMBEOSJ-OAHLLOKOSA-N 416.971 3.446 0 40 HGAB O=C(NCCO)c1nc(-c2ccc(Br)cc2)n(-c2ccc(Cl)cc2)n1 408691970 ADGHHTMKSOFKMI-UHFFFAOYSA-N 421.682 3.072 0 40 HGAB Cc1cccc(N(CC(=O)NCCCOC(C)C)S(=O)(=O)c2ccccc2)c1C 409266576 PWQRXIUUSIWMMW-UHFFFAOYSA-N 418.559 3.430 0 40 HGAB CCc1cc(C(=O)N2CCOC[C@H]2c2c(C)nn(Cc3ccccc3)c2C)cc(O)n1 501185798 WABVDAAVKQUMBJ-NRFANRHFSA-N 420.513 3.425 0 40 HGAB C[C@@](NC(=O)c1ncccc1C(F)(F)F)(C(N)=O)c1cccc(C(F)(F)F)c1 537757160 SBHMULXGOZHFQT-HNNXBMFYSA-N 405.298 3.250 0 40 HGAB Cc1onc(-c2ccccc2Cl)c1C(=O)NCCn1ccnc1-c1cnccn1 575610677 XHANDGGBKFVIBU-UHFFFAOYSA-N 408.849 3.387 0 40 HGAB C[C@@H](C(=O)NCc1csc(-c2ccccc2)n1)n1nc(-c2cccnc2)ccc1=O 585219237 CQRVURGVEJIKHD-HNNXBMFYSA-N 417.494 3.306 0 40 HGAB CCOc1ccc(S(=O)(=O)N2CC[C@@H](Oc3cnc4ccccc4n3)C2)cc1F 618255173 MXAGDZOMZPMMAS-CQSZACIVSA-N 417.462 3.010 0 40 HGAB Cc1cc(OCC2CCN(C(=O)Cc3ccccc3Br)CC2)ncn1 1565523470 OERYSQNVPOSRQB-UHFFFAOYSA-N 404.308 3.408 0 40 HGAB CCCN1CCN(CCC(N)=O)C[C@H](Cc2ccc(-c3cccc(C)c3)cc2)C1=O 1848353475 OJCDJAVBPYESOU-QHCPKHFHSA-N 407.558 3.250 0 40 HGAB CC1=C(C(N)=O)[C@H](c2ccc(Cl)cc2)N2NC(c3ccccc3Cl)=NC2=N1 940692 UQWHAKFQCODVQG-INIZCTEOSA-N 400.269 3.430 0 40 HGAB COC(=O)C1=CC(C(=O)c2cccs2)=NN(c2cccc(Cl)c2)[C@@H]1C(=O)OC 1022028 DOJVQYXDXQIGNC-INIZCTEOSA-N 418.858 3.101 0 40 HGAB Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccc(Cc3ccncc3)cc2)cc1 1346223 SEZLWMDLORXSBN-QGZVFWFLSA-N 409.511 3.286 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCc3ccccc3C)C2)cc1 1361883 NLUBNFVLJAQIQG-FQEVSTJZSA-N 400.544 3.063 0 40 HGAB COc1ccc(CCNC(=O)CSc2nc3ccc(N)cc3s2)cc1OC 1445509 AQVBJMJJQMPSLH-UHFFFAOYSA-N 403.529 3.347 0 40 HGAB O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1(c2ccccc2)CCCC1 2665015 KYZISTCGFFXSQN-UHFFFAOYSA-N 414.527 3.158 0 40 HGAB CCOC(=O)CSc1nc2cc(S(=O)(=O)Nc3ccccc3OC)ccc2o1 3219969 XTWZQCAARXQWPR-UHFFFAOYSA-N 422.484 3.292 0 40 HGAB O=C(COC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1)Nc1ccccc1 3338931 BORDARGBPXXCAN-UHFFFAOYSA-N 400.390 3.283 0 40 HGAB CC[C@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)Nc2ccc(C(C)=O)cc2)C1=O 3464412 FOYFNIYDMHUIAD-OAQYLSRUSA-N 413.861 3.338 0 40 HGAB CCOC(=O)c1ccc(N2C(=O)C[C@@H](NCC34CC5CC(CC(C5)C3)C4)C2=O)cc1 4451906 ISNMVAZRFKSKNY-XOQVKLMPSA-N 410.514 3.301 0 40 HGAB CCOc1ccccc1N1C[C@@H](C(=O)OCC(=O)Nc2ccccc2Cl)CC1=O 4512518 XRECHRNTONEULR-AWEZNQCLSA-N 416.861 3.274 0 40 HGAB CCCc1nnc(NC(=O)CSc2nnc(Cc3ccccc3)n2CC)s1 4814769 AUVCNVCHOGZONN-UHFFFAOYSA-N 402.549 3.424 0 40 HGAB Cc1ccc(Nc2nc(N)nc(COC(=O)CCC(=O)c3ccc(F)cc3)n2)cc1 5321132 WADLATFRMHHFLW-UHFFFAOYSA-N 409.421 3.351 0 40 HGAB CCc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2)cc1 5877585 VIGZLZNSBMKQHH-OAHLLOKOSA-N 400.862 3.437 0 40 HGAB O=C(NC(=S)Nc1ccc(NC(=O)c2ccco2)cc1)c1ccc2c(c1)OCO2 6896423 VFBNKEQFBGCEFG-UHFFFAOYSA-N 409.423 3.387 0 40 HGAB CCC[C@@H](C)NC(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(OC)cc1 6945333 BJQOYQIBCJMCHZ-MRXNPFEDSA-N 420.531 3.204 0 40 HGAB O=C(N[C@@H](c1ccccc1)c1ccncc1)c1cccc(S(=O)(=O)N2CCCC2)c1 6978535 UQRLELRLNBFJOA-QFIPXVFZSA-N 421.522 3.386 0 40 HGAB O=C(COc1ccc(Cl)c(Cl)c1)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 7016380 SWZIKHOVTKPQGD-ZDUSSCGKSA-N 406.331 3.331 0 40 HGAB O=C1N[C@](Cc2ccccc2)(c2ccccc2)C(=O)N1C[C@H](O)COc1ccccc1 7203803 CNAOPQQNMXITBN-SQJMNOBHSA-N 416.477 3.116 0 40 HGAB CS(=O)(=O)c1ccc(Cl)c(NC(=O)CCCn2c(=O)oc3ccccc32)c1 7989489 YJXYXXIWLWFSLU-UHFFFAOYSA-N 408.863 3.070 0 40 HGAB COc1ccc(-c2cn(C[C@H]3C[C@@H]4CCN3C[C@@H]4C(=O)NC3CCCCC3)nn2)cc1 8298877 UBQJNWXNFCQJRL-DWLFOUALSA-N 423.561 3.113 0 40 HGAB biogenic,in-vitro COc1ccccc1N1CCN(c2nc(Nc3ccccc3)c3cnn(C)c3n2)CC1 9212214 QAPLIXUJSBSLLT-UHFFFAOYSA-N 415.501 3.442 0 40 HGAB CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)c(Cl)cc1OC 9259506 IFFOIKXAHQZQJB-CXUHLZMHSA-N 424.906 3.406 0 40 HGAB COc1ccccc1-n1nnnc1SCC(=O)Nc1cccc(Br)c1 9500308 KYUSLGQIOSAVLQ-UHFFFAOYSA-N 420.292 3.164 0 40 HGAB Cc1nc2ccc(NC(=O)[C@@H]3CCCN3S(=O)(=O)c3c(C)noc3C)cc2s1 9619131 IRFCYHAJEHHYPS-HNNXBMFYSA-N 420.516 3.001 0 40 HGAB Cc1cc(N2CCN(C/C=C/c3ccccc3)CC2)n2nc(C(F)(F)F)nc2n1 12421729 RUUFSSJYRGWTEL-VMPITWQZSA-N 402.424 3.287 0 40 HGAB O=C(CCN1C(=O)c2ccc(Br)cc2C1=O)N1CCc2ccccc2C1 12746414 AGHBUJDMIJVISF-UHFFFAOYSA-N 413.271 3.020 0 40 HGAB COc1ccc(N2C[C@H](C(=O)Nc3cccc(Br)c3)CC2=O)c(OC)c1 12784701 KAFCQEYZNMQXLQ-GFCCVEGCSA-N 419.275 3.458 0 40 HGAB CCOc1ccc(C(=O)NCC(=O)OCC(=O)O[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)cc1 12801299 JOLMTLQZNNAWJM-PWIZWCRZSA-N 419.518 3.362 0 40 HGAB Cn1c(CCC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)nc2ccccc2c1=O 12932878 UIPDFCAWCDRGOK-LJQANCHMSA-N 419.481 3.001 0 40 HGAB O=C(O)Cc1csc(NC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)n1 12941110 KURNANZXKOCHQW-UHFFFAOYSA-N 414.409 3.039 0 40 HGAB CCOc1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1S(=O)(=O)N(C)C 12941542 PSYKREPRYZFXDM-UHFFFAOYSA-N 406.548 3.491 0 40 HGAB COc1cc(C2=N/C(=C\c3ccc(OCC(=O)O)cc3)C(=O)O2)ccc1OC(F)F 12995672 ZPNAMBQYYJEJCG-ZSOIEALJSA-N 419.336 3.105 0 40 HGAB Cc1oncc1C(=O)N1CCN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1 14220290 NNDXIQSDWKDARI-UHFFFAOYSA-N 417.531 3.177 0 40 HGAB O=c1[nH]ncc(N2CCCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c1Cl 15141854 VQRJBFQSKGCDGQ-UHFFFAOYSA-N 408.211 3.207 0 40 HGAB CN(C)S(=O)(=O)c1cccc(COC(=O)c2cc(Cl)cc(Cl)c2N)c1 16208739 LDLIDMYWSOZXPU-UHFFFAOYSA-N 403.287 3.183 0 40 HGAB CS(=O)(=O)N(CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1C2)c1cc(C(F)(F)F)ccc1Cl 16248323 MPUBQGNRMOSGFI-MISXGVKJSA-N 424.872 3.430 0 40 HGAB COc1ccc(Cl)cc1C(=O)N1CCN(c2nc(C)cc(N3CCCC3)n2)CC1 17012236 ZGXBVQDZUJIHOI-UHFFFAOYSA-N 415.925 3.010 0 40 HGAB COc1cc(NC(=S)NC(=O)C(C)(C)C)ccc1N1C(=O)c2ccccc2C1=O 17088892 BLGBAEHCARCRSU-UHFFFAOYSA-N 411.483 3.355 0 40 HGAB C[C@H](NC(=O)c1cccc(S(=O)(=O)NC2CC2)c1)C12CC3CC(CC(C3)C1)C2 17355790 OJMOKFVWHREOSO-HIGJEIRPSA-N 402.560 3.462 0 40 HGAB Cc1ccc2c(c1)C(=O)N(CC(=O)N1[C@@H](C)CCC[C@@H]1C)CC1(CCN(C)CC1)O2 19218473 SHTBAZSEAGKXML-OALUTQOASA-N 413.562 3.084 0 40 HGAB COCCC(=O)N1CCC[C@H](c2ccc3c(NCc4ccc(F)cc4)n[nH]c3n2)C1 19742764 WUIIIUBQFSOFBN-INIZCTEOSA-N 411.481 3.452 0 40 HGAB Cc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCN2CCOCC2)cc1 19897789 HSYKLCUASSQWHL-QFIPXVFZSA-N 418.493 3.369 0 40 HGAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](C)c2ccc(SC)cc2)cc1 20013640 HNOPCDTYKQOPOD-HNNXBMFYSA-N 422.572 3.305 0 40 HGAB COc1ccc([C@@H](C)NC(=O)CN(c2ccc(Cl)cc2C)S(C)(=O)=O)cc1 20485177 KNYXVJPBYPUDON-CQSZACIVSA-N 410.923 3.300 0 40 HGAB COc1ccc(-c2nc3n(n2)[C@@H](CC(=O)Nc2cc(Cl)ccc2C)C(=O)N3)cc1 20724080 CKWOLQCDEPSEGA-INIZCTEOSA-N 411.849 3.438 0 40 HGAB CCOC(=O)[C@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@H]1c1ccc(C)cc1 20802025 FRQKGLUJGKDIED-UXHICEINSA-N 407.470 3.106 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)[C@@]1(C)CC1(Cl)Cl 22192033 GYUXEEGMMJJKQL-MRXNPFEDSA-N 405.347 3.190 0 40 HGAB O=c1[nH]c(CN2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)nc2ccccc12 22788930 KVORTXWXJBQVCX-UHFFFAOYSA-N 402.420 3.260 0 40 HGAB CCC(CC)[C@@H](CNC(=O)c1c[nH]c(=S)n1-c1ccccc1)N1CCOCC1 22898987 OTXBWYZHUGLUEH-GOSISDBHSA-N 402.564 3.402 0 40 HGAB CCOC(=O)[C@@H]1CCCN(C(=O)c2cnn(-c3ccc(Br)cc3)c2C)C1 24602464 BBYTUFUHKCVOTI-CQSZACIVSA-N 420.307 3.359 0 40 HGAB O=C(NCc1nnc2ccc(C(F)(F)F)cn12)c1cccc(OC[C@@H]2CCCO2)c1 26358290 QFMBUEVPMWWFGL-INIZCTEOSA-N 420.391 3.236 0 40 HGAB Cc1cccc(OCC(=O)NC[C@H](c2ccc(Cl)cc2)N2CCN(C)CC2)c1C 27793275 JQFSPRWYTLCTQD-OAQYLSRUSA-N 415.965 3.441 0 40 HGAB O=C(NCCc1ccc(O)cc1)c1ccn(COc2ccc(Br)cc2)n1 27972896 AIVNKHXKPMOWQZ-UHFFFAOYSA-N 416.275 3.360 0 40 HGAB Cc1ccccc1NC(=O)N1CCN(c2nc(C(C)C)nc3c(C)nn(C)c23)CC1 28557747 RQEKAPXCEGHHMW-UHFFFAOYSA-N 407.522 3.458 0 40 HGAB COc1ccc(NC(=O)c2cc(F)ccc2Br)cc1NS(C)(=O)=O 29817787 FYZCGXPXLHGGJU-UHFFFAOYSA-N 417.256 3.221 0 40 HGAB O=C(NCCCSc1ccccc1)[C@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 31553367 STULBKCWGKWDSE-RTBURBONSA-N 418.559 3.267 0 40 HGAB COc1cccc([C@H]2c3cc4c(cc3O[C@H](N3CCOCC3)[C@@H]2C)OCO4)c1OC 31860793 HDTMGYJCRVULBM-ZGFCVWDJSA-N 413.470 3.251 0 40 HGAB Cc1c(CC(=O)N2CCC[C@H]2C(N)=O)c(=O)oc2cc3occ(C(C)(C)C)c3cc12 32646469 ZKOLWXWDALTSJC-KRWDZBQOSA-N 410.470 3.164 0 40 HGAB COC(=O)c1cccc(S(=O)(=O)N[C@H](C)c2cnn(-c3ccc(F)cc3)c2C)c1 32808807 ATDNMTPRRPSJGC-CYBMUJFWSA-N 417.462 3.146 0 40 HGAB CCN(CC)C(=O)N1CCC[C@H](C(=O)Nc2cccc(N3CCCCC3=O)c2)C1 40133642 ZMURXNSHEIEJFK-KRWDZBQOSA-N 400.523 3.316 0 40 HGAB COCCOC(=O)C1=C(C)N(CCCCCC(=O)O)C(=O)N[C@H]1c1cccc(F)c1 40152342 ZLETUJJXLHPQHF-IBGZPJMESA-N 422.453 3.001 0 40 HGAB CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)c1cc(F)c(F)cc1Cl 45825953 MVNQVPRTCLPWCH-UHFFFAOYSA-N 410.804 3.490 0 40 HGAB O=C(Nc1cccc(N2CCN(CC3CC3)CC2)c1)[C@@H]1CC(=O)N(c2ccccc2)C1 56479465 GAAOUYSITZOJOK-HXUWFJFHSA-N 418.541 3.210 0 40 HGAB Cc1cc(C)cc(-n2c(=O)c3sccc3n(CC(=O)Nc3ccccc3)c2=O)c1 57492217 MLTRGGKCFFVNHP-UHFFFAOYSA-N 405.479 3.469 0 40 HGAB COc1cn(-c2ccccc2)nc1C(=O)NCc1cccc(CN2CCO[C@@H](C)C2)c1 58158885 TWLCJDXGEBWQMF-SFHVURJKSA-N 420.513 3.032 0 40 HGAB CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)c2sc(C(C)(C)C)nc2C)C1=O 58429288 SFQRLDXGYQHXSL-HXUWFJFHSA-N 400.504 3.251 0 40 HGAB O=C(CN1CCC[C@H](c2cccc(Cc3ccc(Cl)cc3)n2)C1)N1CCOCC1 72348743 VAXAHPSNTNXEQP-IBGZPJMESA-N 413.949 3.364 0 40 HGAB CC(=O)Nc1ccc(CN2CCC[C@H](c3cc(=O)[nH]c(-c4ccncc4)n3)C2)cc1 72392930 NANXDBHNDPYMGS-IBGZPJMESA-N 403.486 3.170 0 40 HGAB CC[C@@H](NC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1)c1nnc2n1CCCCC2 78733134 ACZVECDTRDBJPF-WMLDXEAASA-N 415.925 3.278 0 40 HGAB CS[C@@H]1CN(C(=O)Cc2csc(COc3ccc(C)cc3)n2)C[C@H]1N(C)C 89637007 JBAUFOGDFHFJDL-QZTJIDSGSA-N 405.589 3.077 0 40 HGAB Cn1ncc2c(SCCNC(=O)c3cccnc3Oc3ccccc3)ncnc21 95971873 GVNPEWKTGUXVEH-UHFFFAOYSA-N 406.471 3.073 0 40 HGAB C[C@@H](CNC(=O)C1=NO[C@@]2(CCN(Cc3ccc4c(c3)OCO4)C2)C1)c1ccccc1 96225730 FDVNYAVAXFCJSU-XDHUDOTRSA-N 421.497 3.056 0 40 HGAB COc1ccc(CC(=O)NCc2nc(-c3cccc(Br)c3)no2)cc1 96234471 DBTGPRMMMNJGDR-UHFFFAOYSA-N 402.248 3.367 0 40 HGAB CCc1ccccc1N1CCN(S(=O)(=O)C[C@@]23CC[C@H](CC2=O)C3(C)C)CC1 101031444 DWKVGZBHYAUYAJ-GCJKJVERSA-N 404.576 3.096 0 40 HGAB O=C1C[C@H](N2CCc3c([nH]c4ccc(Cl)cc34)C2)C(=O)N1c1ccc2c(c1)OCO2 101449165 KPQHIINAESLNPY-SFHVURJKSA-N 423.856 3.240 0 40 HGAB CCOc1ccc(-c2nn3c(nc2=O)-c2ccccc2NC32CCN(C)CC2)cc1 101931930 MRYKRRUSITWZQQ-UHFFFAOYSA-N 403.486 3.175 0 40 HGAB COc1ccc(CN(C)C(=O)c2cccc(S(=O)(=O)N3CCC(C)CC3)c2)cc1 219992941 PUDPZRVKRHGSCE-UHFFFAOYSA-N 416.543 3.388 0 40 HGAB COc1ccc(N([C@@H](C)C(=O)Nc2ccc(Cl)cc2)S(C)(=O)=O)cc1OC 220226190 AZQCRSJAFUMEEO-LBPRGKRZSA-N 412.895 3.150 0 40 HGAB COc1cc(CNC(=O)c2ccc(C)c(N(C)S(C)(=O)=O)c2)ccc1OC(C)C 222458437 NTCMBFYBNQZXLA-UHFFFAOYSA-N 420.531 3.117 0 40 HGAB COC(=O)c1cccc(S(=O)(=O)N[C@H]2CC(C)(C)Oc3cc(OC)ccc32)c1 223664896 YHSDHUMXGYAEHP-KRWDZBQOSA-N 405.472 3.063 0 40 HGAB COc1ccccc1CC(=O)N1CCC[C@@H](c2cc(-c3nccn3C)nc(C)n2)C1 257337727 YUCZEKJAYLMNGG-GOSISDBHSA-N 405.502 3.143 0 40 HGAB Cc1cc(Nc2cccc(F)c2)cc([C@@H]2CCN(S(=O)(=O)c3cn(C)cn3)C2)n1 257344362 ZWWUKKOSORFXNB-OAHLLOKOSA-N 415.494 3.184 0 40 HGAB COC(=O)c1cc(OC)c(OC)cc1NS(=O)(=O)c1cc(C(C)C)ccc1OC 408701107 RNHJPJNWJXKMEJ-UHFFFAOYSA-N 423.487 3.423 0 40 HGAB COc1cccc(CNC(=O)c2ccccc2NC(=O)C(=O)NC2CCCCC2)c1 408710283 VZDDAGZFZWAKHG-UHFFFAOYSA-N 409.486 3.013 0 40 HGAB CCOCCCNC(=O)[C@H](C)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 409111112 AWJVIGZLQDAOBG-KRWDZBQOSA-N 420.531 3.176 0 40 HGAB O=C(N[C@H](c1ccccc1)c1nc2ccccc2[nH]1)C1(n2cnnn2)CCCCC1 526052417 DTFWFIDNWHLDRV-LJQANCHMSA-N 401.474 3.115 0 40 HGAB CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)c1nc(N)c2ccccc2n1 548759660 QZZXICUZSBWSQC-UHFFFAOYSA-N 404.301 3.662 0 40 HGAB COc1ccc(CN2CCOC[C@]3(CC(=O)N(c4ccc(F)cc4)C3)C2)c(F)c1 585104739 SPSHQMIWYMDZDE-JOCHJYFZSA-N 402.441 3.229 0 40 HGAB O=C(C1CCOCC1)N1CCC[C@H](c2cccc(-c3noc(C(F)(F)F)n3)n2)C1 585289861 LGCFTDLCRXAICD-ZDUSSCGKSA-N 410.396 3.283 0 40 HGAB O=C(N1CC[C@@H](c2ccccc2F)S(=O)(=O)CC1)C1(c2ccc(F)cc2)CC1 585396025 UCJFMUOBPWMLDF-IBGZPJMESA-N 405.466 3.385 0 40 HGAB O=C1C[C@@H](c2cccc(Br)c2)c2c(O)nc(N3CCCCC3)nc2N1 585655801 PVBHHPOBLCRQQS-ZDUSSCGKSA-N 403.280 3.409 0 40 HGAB O=C(C[C@H]1CCc2ccccc21)N1CCC(NS(=O)(=O)c2cccs2)CC1 604275717 ZDABKFLQBSCTQK-MRXNPFEDSA-N 404.557 3.138 0 40 HGAB Cc1cc(OC[C@]2(O)CCCN(C(=O)c3cccnc3O)CC2)cc(C)c1Cl 2037912714 WQMCSBDWGKNQGM-NRFANRHFSA-N 404.894 3.494 0 40 HGAB O=C(CCc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)NCc1ccco1 666058 NZRBXNOUPDCKPQ-UHFFFAOYSA-N 412.511 3.050 0 40 HGAB CCn1c(CSc2nc(C)cc(C)n2)nnc1SCC(=O)N1CCCC[C@@H]1C 908273 MPODIFUUMOCVSJ-HNNXBMFYSA-N 420.608 3.490 0 40 HGAB CCC(=O)Nc1cc(NC(=O)CSc2nnnn2-c2ccc(F)cc2)ccc1C 932390 CCGICEDQBBCBHD-UHFFFAOYSA-N 414.466 3.189 0 40 HGAB CC(=O)c1cccc(NC(=O)Cn2nnc(-c3ccccc3NC(=O)CC(C)C)n2)c1 1339751 NJJBNBLDTHEBDU-UHFFFAOYSA-N 420.473 3.166 0 40 HGAB COC(=O)COc1ccc2c(c1)O[C@@]1(C[C@@H]2c2ccccc2)CC(C)(C)NC(=O)N1 1441218 ZYXVYFSJLKFHCH-JPYJTQIMSA-N 410.470 3.331 0 40 HGAB CCOc1ccc2nc(COC(=O)c3ccccc3OCC)c(C(C)=O)[n+]([O-])c2c1 2450698 XEIPZCAYAZVVHT-UHFFFAOYSA-N 410.426 3.225 0 40 HGAB O=C(COC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1)NC[C@H]1CCCO1 3276421 HCTFLOQIFKQPCS-MRXNPFEDSA-N 401.846 3.023 0 40 HGAB COc1cc(/C=C/C(=O)OCC(=O)NCc2ccccc2Cl)cc(OC)c1OC 3415348 JDNGNEYHWOEKPU-CMDGGOBGSA-N 419.861 3.239 0 40 HGAB C[C@]12CCC(=O)N1[C@@H](C(=O)OCC(=O)c1ccc3c(c1)-c1ccccc1C3)CS2 3441829 YFMAAIWMVWNIAG-XXBNENTESA-N 407.491 3.438 0 40 HGAB O=C(CSc1nnc(-c2ccc(OC(F)F)cc2)o1)NC(=O)NCc1ccco1 3563978 RJALOEQNIKPQJB-UHFFFAOYSA-N 424.385 3.049 0 40 HGAB COCCCn1c(SCC(=O)N2CCCc3ccccc32)nnc1-c1ccncc1 4169283 ARLGZWHVNZUMFL-UHFFFAOYSA-N 423.542 3.448 0 40 HGAB Cc1ccc(N(CC(=O)NCc2ccco2)C(=O)CCC(=O)Nc2ccccn2)cc1 4848305 ZJUYSJBULKBUDS-UHFFFAOYSA-N 420.469 3.051 0 40 HGAB O=C(CSc1nnc(NC(=O)C23CC4CC(CC(C4)C2)C3)s1)N1CCCC1 4903578 PCTCAZRVOGTUAU-UHFFFAOYSA-N 406.577 3.408 0 40 HGAB CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)CSc1nncn1C 5126393 IMRFTLOKDIUHQE-UHFFFAOYSA-N 402.501 3.451 0 40 HGAB COCCCn1c(C(=O)N[C@H](C)c2ccccc2)cc2c(=O)n3ccccc3nc21 5267256 CXSVKKGXOLTXNR-MRXNPFEDSA-N 404.470 3.177 0 40 HGAB COc1cccc(NC(=O)Cn2nc(-c3cccc(Br)c3)ccc2=O)c1 5388366 XSJOODRNVPYNMB-UHFFFAOYSA-N 414.259 3.320 0 40 HGAB CC(C)N(C(=O)COC(=O)c1ccc(S(=O)(=O)C(F)F)cc1)c1ccccc1 5428389 YQUHKDWLDGISHO-UHFFFAOYSA-N 411.426 3.281 0 40 HGAB CCCn1c(S[C@H](C)c2nc3sc4c(c3c(=O)[nH]2)CC[C@@H](C)C4)n[nH]c1=O 5983443 OQUDRUAGJPTALS-NXEZZACHSA-N 405.549 3.258 0 40 HGAB Cc1cc(NC(=O)CSc2nc(N)cc(N)n2)ccc1NC(=O)c1ccccc1C 6443926 BHDTVKYJUCDLMW-UHFFFAOYSA-N 422.514 3.241 0 40 HGAB COc1cccc(/C=C/C(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)c1OC 6581169 IDAAWXBYZPMOKO-VAWYXSNFSA-N 416.499 3.140 0 40 HGAB COc1ccccc1N1CCN(C(=O)[C@@H](NC(=O)C2CCC(C)CC2)C(C)C)CC1 6722258 SQZLTHYDUZQBKT-AJTFCVKESA-N 415.578 3.311 0 40 HGAB CCN(c1ccccc1)S(=O)(=O)c1nnc(NC(=O)c2ccc(F)cc2)s1 6818265 KSGTUMKKGMADJQ-UHFFFAOYSA-N 406.464 3.145 0 40 HGAB CCOc1ccc(S(=O)(=O)N2CCN(c3ccccc3F)CC2)cc1OCC 7495651 BIMGNRQUZKIEMF-UHFFFAOYSA-N 408.495 3.134 0 40 HGAB CN1CCN(c2ccc(NC(=O)CNC(=O)c3ccc(C(C)(C)C)cc3)cc2)CC1 7984775 CSAJEXHOLIXTDG-UHFFFAOYSA-N 408.546 3.104 0 40 HGAB O=S(=O)(c1ccc2c(c1)OCCO2)N(Cc1ccc2c(c1)OCO2)C1CCCC1 7987070 YLIPVHDOLBXRFL-UHFFFAOYSA-N 417.483 3.320 0 40 HGAB COc1ccc(NC(=O)CN(C)C(=O)c2c(C)nn(Cc3ccccc3)c2C)cc1 8193356 JKUTZQUKPZKVBO-UHFFFAOYSA-N 406.486 3.268 0 40 HGAB Cc1ccc(Cn2c(=O)c3c(nc4n3CCCN4c3cccc(C)c3)n(C)c2=O)cc1 8656861 DLTGSQYNIRESNC-UHFFFAOYSA-N 415.497 3.104 0 40 HGAB Cc1ccc(N2C(=O)N(c3ccc(Br)cc3)[C@H]3CS(=O)(=O)C[C@@H]32)cc1 8768075 OKHWAVVJEYVCQF-IRXDYDNUSA-N 421.316 3.370 0 40 HGAB CCCN1C(=O)CCc2cc(NS(=O)(=O)c3ccc(OC)c(OC)c3)ccc21 8840538 FSPSXOFUPFSZFY-UHFFFAOYSA-N 404.488 3.194 0 40 HGAB COc1ccc(Nc2nc(N3CCN(c4ccccc4)CC3)nc3nccnc23)cc1 9074330 BNHFGAVYUOTXGO-UHFFFAOYSA-N 413.485 3.499 0 40 HGAB COc1ccc(CNC2=N[C@@H](c3ccc(Cl)cc3)n3c(nc(C)cc3=O)N2)cc1 9225426 BKSZUOMDHSRIAN-LJQANCHMSA-N 409.877 3.332 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)N(C)c1ccccc1 10287221 POMKYBAQBXYBPQ-UHFFFAOYSA-N 402.516 3.392 0 40 HGAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1cc2cnn(C(C)C)c2nc1C 10411238 RDCDZGPIXSRRAN-UHFFFAOYSA-N 415.519 3.132 0 40 HGAB O=C(COc1ccc(-n2cnnn2)cc1)N1N=C(c2cccs2)C[C@H]1c1ccco1 11683507 GUMHCLDQOUPCOD-KRWDZBQOSA-N 420.454 3.074 0 40 HGAB Cc1cc(C)cc(OCC(=O)N(Cc2cccc(F)c2)[C@H]2CCS(=O)(=O)C2)c1 12062689 SFJOFOYUGHTRQG-IBGZPJMESA-N 405.491 3.037 0 40 HGAB CCc1nccn1C[C@H](C)C(=O)N1CCC[C@@H](c2nc3ccccc3cc2C(N)=O)C1 12088400 KROCYYWVXFYOFQ-FUHWJXTLSA-N 419.529 3.135 0 40 HGAB Cc1nc2c(c(N3CCN(c4ccc(O)cc4)CC3)n1)CN(Cc1ccccc1)CC2 12143867 OQOPIFPVZZMISW-UHFFFAOYSA-N 415.541 3.376 0 40 HGAB Cc1cc2nc([C@@H]3CCCN(C[C@H](C)Cc4ccc5c(c4)OCO5)C3)cc(N)n2n1 12185924 CSUSDDAYRNWWRA-CRAIPNDOSA-N 407.518 3.407 0 40 HGAB CCN(CCc1ccncc1)C(=O)c1ccc(Cl)c(N2CCCCS2(=O)=O)c1 12194931 TUPUZZUAOAMRHC-UHFFFAOYSA-N 421.950 3.370 0 40 HGAB CC1(C)Cc2nc(-c3ccncc3)ncc2[C@H](NC(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)C1 12221115 LHQXRPCVKRCOSF-QFBILLFUSA-N 421.545 3.315 0 40 HGAB CCc1cccc(-n2c(SCc3nnsc3Cl)nnc2N2CCOCC2)c1 12527809 LUEMDZNPXGTFOV-UHFFFAOYSA-N 422.967 3.464 0 40 HGAB C[C@H](NC(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1)c1cccc(Cl)c1 12800615 DOCVHFAOTDLWIB-KSSFIOAISA-N 422.934 3.288 0 40 HGAB Fc1ccc(N2CCN(c3ncnc4c3nnn4Cc3ccccc3Cl)CC2)cc1 12881056 IHWKQAMUKPZYRI-UHFFFAOYSA-N 423.883 3.389 0 40 HGAB CC[C@@H]1CCc2sc(-c3nnc(SCC(=O)NCCCOC)n3C)cc2C1 12913147 SSPHOAZUWRMMJL-CYBMUJFWSA-N 408.593 3.303 0 40 HGAB CCOc1ccc2nc(NC(=O)c3ccccc3N(C)S(C)(=O)=O)sc2c1 12984309 DXEVHXRBWZYVSB-UHFFFAOYSA-N 405.501 3.343 0 40 HGAB O=C(C[C@@H](C(=O)O)c1ccccc1)Nc1cc(C(F)(F)F)ccc1-n1cncn1 13467058 MDYSKOKEVHRAAM-CQSZACIVSA-N 404.348 3.483 0 40 HGAB CC[C@@H](C(=O)NCCc1ccc(OC)cc1)N(c1ccc(C)c(C)c1)S(C)(=O)=O 13716302 NYUOMQOLBADHDO-NRFANRHFSA-N 418.559 3.216 0 40 HGAB O=C(/C=C/c1cccc(Oc2ccccc2)c1)N1CCN(CC(=O)N2CCCC2)CC1 14251154 CLYNFDUXWHMTHA-VAWYXSNFSA-N 419.525 3.259 0 40 HGAB O=S1(=O)CC[C@H](Nc2nc(-c3cccnc3)nc3sc4c(c23)CCCC4)C1 15356835 ALIDUFXJSAQBAL-ZDUSSCGKSA-N 400.529 3.231 0 40 HGAB COc1ccccc1NS(=O)(=O)c1cc(C(=O)NCc2cccnc2)ccc1C 15434434 IKNDPYJXHREXPQ-UHFFFAOYSA-N 411.483 3.129 0 40 HGAB Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)N1CCc2ccccc2C1 17322077 VNXVXFIQSDEZCG-UHFFFAOYSA-N 403.408 3.277 0 40 HGAB COc1ccc(/C=C\C(=O)NCCCCNC(=O)/C=C\c2ccc(OC)cc2)cc1 17421544 CZVBBBUACNWLIG-VULZFCBJSA-N 408.498 3.443 0 40 HGAB Cc1ccc(-c2nnc([C@@H](C)OC(=O)c3ccc(Cl)c(S(N)(=O)=O)c3)o2)cc1 17536516 NJDCDPXMEHYKMJ-LLVKDONJSA-N 421.862 3.264 0 40 HGAB COc1cccc(N2CCN(CC(=O)Nc3nc4c(s3)C[C@H](C)CC4)CC2)c1 18249578 DDJGQQSLFPBJAP-OAHLLOKOSA-N 400.548 3.037 0 40 HGAB COc1ccc2[nH]c3c(c2c1)CN(C[C@@H](O)c1ccc(OC)c(NC(C)=O)c1)CC3 19022187 HHHKOTTYTBLEPC-JOCHJYFZSA-N 409.486 3.235 0 40 HGAB Cc1cc(-c2cccs2)nc([C@H]2CCCN(C(=O)C[C@H]3CCS(=O)(=O)C3)C2)n1 19117662 SAHYNVIIEWKDNG-CVEARBPZSA-N 419.572 3.044 0 40 HGAB Cc1ccc2cc([C@H](c3nnnn3C3CCCCC3)N3CCOCC3)c(=O)[nH]c2c1C 19234213 APISYXYYCLWRCP-OAQYLSRUSA-N 422.533 3.058 0 40 HGAB CC(C)N1CCC[C@@H](c2cc(=O)[nH]c(C3CCN(C(=O)Cc4ccccc4)CC3)n2)C1 19447930 OZAKETUIVUDSGL-OAQYLSRUSA-N 422.573 3.306 0 40 HGAB CC(C)N1CCc2nc3cc([C@H]4CCCCN4C(=O)C4CCCC4)nn3c(O)c2C1 19448047 TTXZVKFYQZFYOY-HXUWFJFHSA-N 411.550 3.445 0 40 HGAB CC[C@H](C)C(=O)N1CCc2cc([C@@H](O)CN3CCCN(c4ccccn4)CC3)ccc21 19499895 ZJHLLYIYFSJPRX-CVDCTZTESA-N 422.573 3.263 0 40 HGAB COc1ccc(-c2nnc3n2[C@@H]2CCCC[C@@H]2N(C(=O)c2ccccn2)C3)cc1OC 19561687 WEMZQSXEYMKMQH-ZWKOTPCHSA-N 419.485 3.497 0 40 HGAB COc1cccc(CC(=O)NCCc2c[nH]c3cccc(C4(O)CCOCC4)c23)c1 19564491 GEQDPNBVZSWOJW-UHFFFAOYSA-N 408.498 3.076 0 40 HGAB Cc1cc(C)n(CC(=O)Nc2cccc(CCc3nc4ccccc4[nH]3)c2)c(=O)n1 19572420 ZEXVWSWYUULTNB-UHFFFAOYSA-N 401.470 3.160 0 40 HGAB NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1cc(-c2ccccn2)nc2ccccc12 19666571 APQSRLJBECNGCO-QHCPKHFHSA-N 408.461 3.349 0 40 HGAB Cc1nc([C@H]2CCCN(S(=O)(=O)C3CCCC3)C2)nc2c1CCCN2CC1CC1 19706660 VINKNGZPBOOBJZ-SFHVURJKSA-N 418.607 3.399 0 40 HGAB CCCCCNC(=O)c1ccc2c(c1)C(=O)N(c1ccc(Cn3cncn3)cc1)C2=O 20728912 DKKDFPSKRGXHGA-UHFFFAOYSA-N 417.469 3.047 0 40 HGAB O=C(NCCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(Cl)cc1 22226959 HIAMCUCVVXQLMV-UHFFFAOYSA-N 406.935 3.487 0 40 HGAB O=C(NCCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(F)cc1F 22227384 QEZXDIDDFWUKJX-UHFFFAOYSA-N 408.470 3.112 0 40 HGAB CCOc1ccc2c(c1)c(=O)c(C(=O)N[C@H](C)c1ccc(OC)c(OC)c1)cn2C 22237430 WRWWMESPHYQTLL-CQSZACIVSA-N 410.470 3.445 0 40 HGAB CN1CCN([C@@H](c2ccccc2F)c2sc3nc(-c4ccco4)nn3c2O)CC1 22577363 ADAJVMBHULSIGP-INIZCTEOSA-N 413.478 3.232 0 40 HGAB O=C(C[C@@H]1C(=O)N(C[C@@H]2CCCO2)c2nc3ccccc3n21)Nc1cccc(F)c1 23382153 YUBFEJKUTKNPGE-QFBILLFUSA-N 408.433 3.271 0 40 HGAB COc1cc(C(=O)N[C@H](C(=O)N(C)Cc2ccsc2)C(C)C)cc(OC)c1OC 24384107 AZQWSIIFZNFZFT-SFHVURJKSA-N 420.531 3.187 0 40 HGAB C[C@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)N(C)Cc1ccsc1 24384117 BXKHWSQZUVIOTC-JTQLQIEISA-N 407.344 3.380 0 40 HGAB CC(C)c1ccc(COC(=O)CCS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 24809411 DGWAEYXOLYDUIN-UHFFFAOYSA-N 404.484 3.488 0 40 HGAB COc1ccc(CCC(=O)N2CCC(NC(=O)c3ccc(F)cc3)CC2)cc1OC 25211047 RENATTARZZHNND-UHFFFAOYSA-N 414.477 3.197 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)N2CCC[C@H]2c2cccnc2)cc1 27163406 PQNMITXKTHVLOC-KVDXNUTJSA-N 413.543 3.489 0 40 HGAB COc1cc(I)c(Cl)cc1C(=O)N[C@@H](C)[C@@H]1CCCO1 27907149 ZHQUFHFOSMGGQA-UFBFGSQYSA-N 409.651 3.251 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(CCC(=O)Nc2ccc3c(c2)OCCO3)cc1 28648053 KZXCTOABCKNZQT-UHFFFAOYSA-N 418.515 3.060 0 40 HGAB COc1cc(CCNC(=O)[C@H]2CCCN(C(=O)c3ccco3)C2)ccc1OC(F)F 28690350 NMZJRQTUNAVTNF-HNNXBMFYSA-N 422.428 3.101 0 40 HGAB CC(C)Oc1cccc(NC(=O)[C@@H]2CCN(S(C)(=O)=O)c3ccccc3O2)c1 30940455 BYUMVNNXSAPYHZ-IBGZPJMESA-N 404.488 3.030 0 40 HGAB COC(=O)c1cc(O)cc(O)c1C(=O)c1c(O)c(Cl)c(C)c(Cl)c1OC 31158131 IPUONOHBPFSQMA-UHFFFAOYSA-N 401.198 3.445 0 40 HGAB biogenic,in-vitro COC(=O)c1ccc2c(c1)CCN2C(=O)c1cn(-c2ccccc2C(F)(F)F)nn1 32817013 FOOKQPUFVORMTQ-UHFFFAOYSA-N 416.359 3.276 0 40 HGAB Cc1cc(C(=O)CSc2ncnc3ccsc23)c(C)n1[C@@H]1CCS(=O)(=O)C1 32850650 PWEWLWAUTNGRAM-CYBMUJFWSA-N 421.569 3.444 0 40 HGAB C[C@@H](Sc1nnc(C2CC2)n1CCC(N)=O)C(=O)C12CC3CC(CC(C3)C1)C2 32895012 NXRHFQZTEKHSEQ-CSNVJCEJSA-N 402.564 3.297 0 40 HGAB CCN(CC)c1nc2ccsc2c(=O)n1CCC(=O)NCc1ccccc1OC 33308878 RCCVHFHVPRWPCG-UHFFFAOYSA-N 414.531 3.019 0 40 HGAB O=C(c1ccc(F)cc1)[C@H]1[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@H]2CCCN21 35388005 IPYORVPWOXDUSZ-AKHDSKFASA-N 412.848 3.314 0 40 HGAB O=C(NCCN1CCOCC1)c1cc2sccc2n1Cc1ccccc1Cl 35811076 MVGPPTAYNJTRNZ-UHFFFAOYSA-N 403.935 3.467 0 40 HGAB COc1ccc(CN2CCN(CCOc3cccc(F)c3)CC2)c(OC)c1OC 36396715 FGBRCHUVGVJZPY-UHFFFAOYSA-N 404.482 3.048 0 40 HGAB O=C(c1cc(Cl)c2c(c1)OCCO2)N1CCC[C@H]1c1nnc2n1CCCCC2 40080230 KOLVUOCSDKKHBP-HNNXBMFYSA-N 402.882 3.406 0 40 HGAB COc1ccc(OC)c(-c2csc(NC(=O)[C@H]3CCCN(C(=O)N(C)C)C3)n2)c1 40129422 ZODJRRYYAKODAC-ZDUSSCGKSA-N 418.519 3.159 0 40 HGAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(NS(C)(=O)=O)cc1Cl 44885785 HMOOZWJNZWAZIZ-LBPRGKRZSA-N 423.922 3.492 0 40 HGAB CC[C@H](NC(=O)[C@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1)c1ccc(C)cc1 44935954 NUHDKIIOZAGXPM-QFBILLFUSA-N 422.934 3.443 0 40 HGAB COc1ccc2c(c1)CCCN2C(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 45594055 WIWJZFQJYHUHRT-NRFANRHFSA-N 414.527 3.218 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)NCc2ccoc2)c1 48332990 VRDXHAOHPGUMOL-UHFFFAOYSA-N 420.535 3.232 0 40 HGAB O=C(Cn1ncn2nc(-c3ccc(F)cc3)cc2c1=O)Nc1ccc(F)cc1Cl 51316916 CZBLLVORJRFZJG-UHFFFAOYSA-N 415.787 3.128 0 40 HGAB CCc1ccccc1NC(=O)Cn1c(COc2ccc(OC)cc2)nc(C)cc1=O 51319363 SVFYVWYQVIJLER-UHFFFAOYSA-N 407.470 3.340 0 40 HGAB CCCCN(C)C(=O)Cn1c(=O)n(Cc2ccc(Cl)cc2)c(=O)c2ccccc21 57473083 KPIOKGHNZSNISB-UHFFFAOYSA-N 413.905 3.123 0 40 HGAB O=C(NCc1cccnc1N1CCOCC1)Nc1cccc(NC(=O)c2ccco2)c1 58102774 SFAUHHOMDFZKIE-UHFFFAOYSA-N 421.457 3.085 0 40 HGAB Cc1cc2nc(SCC(=O)N(C)c3ccccc3)n(Cc3ccco3)c(=O)c2[nH]1 67236359 CJDYLCGKURNRIP-UHFFFAOYSA-N 408.483 3.429 0 40 HGAB COc1ccc(CN2CCC[C@@H](c3cc(=O)[nH]c(-c4cccnc4)n3)C2)cc1OC 72393067 GSSDKRYZVJYVFM-GOSISDBHSA-N 406.486 3.229 0 40 HGAB COC(=O)CCNC(=O)[C@H]1c2ccccc2C(=O)N(Cc2ccco2)C12CCCCC2 79474479 XVWBFFFXWZHKCG-OAQYLSRUSA-N 424.497 3.401 0 40 HGAB Cc1ocnc1CNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 89556275 CSFMIVBTJVPYFB-UHFFFAOYSA-N 411.911 3.131 0 40 HGAB CCC[C@H](c1nnnn1C[C@@H]1CCCO1)N1CCN(c2cccc(Cl)c2)CC1 96299531 DLOHUQLFLSYEHQ-RBUKOAKNSA-N 404.946 3.169 0 40 HGAB CCS(=O)(=O)[C@@](Cl)(I)[C@@H](O)c1cccc(Cl)c1 96520085 BGNQGIPTHGWQLU-UWVGGRQHSA-N 409.072 3.136 0 40 HGAB COc1cc2c(cc1CNC(=O)CN(CC1CC1)C(=O)OC(C)(C)C)O[C@H](C)C2 97020309 SLRIXTHXAACXFZ-CQSZACIVSA-N 404.507 3.282 0 40 HGAB COC(=O)Cc1ccc(OCC(=O)N(C)Cc2ccccc2Br)cc1 97603362 WKBCGVAUWNHCLK-UHFFFAOYSA-N 406.276 3.202 0 40 HGAB Cc1ccc(Oc2ccc(NC(=O)CN3C(=O)[C@@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cn2)cc1C 105660314 HETDWUWXLCTSQT-RZTYQLBFSA-N 417.465 3.236 0 40 HGAB Cc1c(Cl)cccc1NC(=O)CSc1nc2ccsc2c(=O)n1CCO 206598168 HFLGIAROIUGTPN-UHFFFAOYSA-N 409.920 3.143 0 40 HGAB COCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1Cc1cccnc1 223046107 KXICSNAWCRUTQQ-LEWJYISDSA-N 407.543 3.335 0 40 HGAB CCOc1ccc(CCCNS(=O)(=O)c2ccc3c(c2)CCN3C(=O)CC)cc1 223335683 XAMXGYDWKWWPJQ-UHFFFAOYSA-N 416.543 3.296 0 40 HGAB CCn1c(=O)oc2cc(S(=O)(=O)NCc3ccccc3Cl)c(Cl)cc21 223360379 PDJVPJUGWSANBH-UHFFFAOYSA-N 401.271 3.400 0 40 HGAB CC(C)(C)c1ccc(N(CC(=O)NCCOc2ccc(F)cc2)S(C)(=O)=O)cc1 224057194 OVWPXQPIQKWVSF-UHFFFAOYSA-N 422.522 3.084 0 40 HGAB CCN1c2cc(OC)c(OC)cc2C(C)=C(C(=O)NCC2CCCCC2)S1(=O)=O 224584069 HFDJVDLNAQNEND-UHFFFAOYSA-N 422.547 3.301 0 40 HGAB CC(C)C(=O)Nc1nnc(S(=O)(=O)Nc2ccc(OC3CCCC3)cc2)s1 224714963 GFIUUIFBAJRRIT-UHFFFAOYSA-N 410.521 3.255 0 40 HGAB CSc1ccc(S(=O)(=O)NCCOc2ccccc2)cc1NC(=O)C(C)C 225105045 JQHLWSUSLSFMDT-UHFFFAOYSA-N 408.545 3.360 0 40 HGAB CC(C)Oc1ccccc1NS(=O)(=O)c1nnc(NC(=O)c2ccccc2)s1 225121647 GFBZGQBUEAIKLI-UHFFFAOYSA-N 418.500 3.378 0 40 HGAB CC(C)(C)CNC(=O)CCc1nc(-c2ccc(I)cc2)no1 225840594 WXYINOWHNUUQEM-UHFFFAOYSA-N 413.259 3.436 0 40 HGAB COc1ccccc1N1CCN(C[C@H](O)CO[C@H]2C(C)(C)[C@H]3CC[C@@]2(C)C3)CC1 253478448 LBAQYJOJTNEFOU-MWYJAUPDSA-N 402.579 3.410 0 40 HGAB CCn1ccc(C(=O)N2CCC[C@H](CC(=O)N(C)Cc3ccccc3Cl)C2)n1 257246896 IWJHNXWBPATZRT-MRXNPFEDSA-N 402.926 3.457 0 40 HGAB CCOc1cc(-c2cc(-c3ccc(N4CCCC4=O)cc3)nn2CCO)ccc1O 257277313 NXLPNOFWQRFEFT-UHFFFAOYSA-N 407.470 3.441 0 40 HGAB O=C(NCC(=O)N1CCC[C@H]1c1ncc(Cc2cccc(F)c2)o1)c1ccccc1 257299819 RRRYVURBZUFTNG-FQEVSTJZSA-N 407.445 3.498 0 40 HGAB CSCC[C@@H](N)C(=O)N1CC[C@H]2O[C@H]3c4ccccc4OC(C)(C)[C@@H]3C[C@H]2C1 257300751 RVOQANXPSPPFAD-FXTJJVCJSA-N 404.576 3.233 0 40 HGAB c1cnc(Oc2cccc(CN3CCOC[C@@H](Cc4cn5ccnc5cn4)C3)c2)nc1 257317193 VISSXHDNKPTHGB-IBGZPJMESA-N 416.485 3.003 0 40 HGAB COCc1cccc(C(=O)N2CC[C@H](Oc3cccc(Cl)c3)[C@@H](CC(N)=O)C2)c1 257343232 ZSADTVNYPXJHNX-PXNSSMCTSA-N 416.905 3.272 0 40 HGAB COc1cccc(CN2C[C@H]3[C@@H](C2)n2cccc2C(=O)N3Cc2csc(C)n2)c1 306126195 DPESYCFYQLYJHI-RTWAWAEBSA-N 408.527 3.343 0 40 HGAB COc1cccc(-c2cnc3c(N4CCN(Cc5nccs5)CC4)nccn23)c1 306138650 SDNXJAJLXDOLSW-UHFFFAOYSA-N 406.515 3.184 0 40 HGAB CCC(CC)C(=O)N1CC(F)(F)C[C@@]2(CCCN(Cc3cc(C)nn3C)C2=O)C1 306141978 WLTQOMOAIAPHGT-FQEVSTJZSA-N 410.509 3.141 0 40 HGAB CC(=O)Nc1cccc(NS(=O)(=O)c2ccc(NC(=O)N3CCCCC3)cc2)c1 408585243 YAUDDTOJFDMWGV-UHFFFAOYSA-N 416.503 3.464 0 40 HGAB O=C(CN1C(=O)S/C(=C\c2ccc3c(c2)OCO3)C1=O)Nc1ccc(F)cc1 408879913 HRNXLCMTSSXSTJ-PXNMLYILSA-N 400.387 3.229 0 40 HGAB COc1ccc(C(=O)N[C@@H]2C(=O)N/[N+](=C\c3ccccc3C)[C@H]2c2ccccc2)cc1 409058881 LXTDSIBAAOJGBD-LIFFMEMSSA-O 414.485 3.020 0 40 HGAB CCc1ccccc1NC(=O)CSc1nnc(CNC(=O)c2ccccc2C)n1C 409062174 OZWCAPIJCUEPOD-UHFFFAOYSA-N 423.542 3.347 0 40 HGAB C[C@H](NC(=O)CSc1nnc([C@@H](C)NC(=O)c2ccccc2)n1C)c1ccccc1 409138366 APECUFRFZMWBLP-JKSUJKDBSA-N 423.542 3.276 0 40 HGAB Cc1nn(Cc2ccccc2)c(N)c1C(=O)N(C)CC(=O)Nc1cccc(Cl)c1 505283400 NBKYWDCXKXUGSN-UHFFFAOYSA-N 411.893 3.186 0 40 HGAB CN(Cc1ccc2c(c1)OCCO2)C(=O)c1c[nH]cc1-c1ccc2c(c1)OCCO2 525669739 XKOHRPVUICYCMV-UHFFFAOYSA-N 406.438 3.496 0 40 HGAB CC(C)N1C[C@@H](c2ccccc2)[C@@]2(CN(C(=O)Cc3cccc(F)c3)CCO2)C1=O 585107187 QWYNUXUHAYHALF-URXFXBBRSA-N 410.489 3.000 0 40 HGAB C[C@H]1C[C@H](C)CN(C(=O)c2nc3c(o2)CCN(C(=O)c2ccc(N(C)C)cc2)C3)C1 585112128 MJVUNYAVJUZHBI-HOTGVXAUSA-N 410.518 3.057 0 40 HGAB Cc1c(N2C[C@H](C)O[C@](C)(C(F)F)C2)ncnc1N1C[C@H](C)O[C@](C)(C(F)F)C1 630094781 KVHDKGMUWFFJDQ-KFMSBCHRSA-N 420.451 3.283 0 40 HGAB CC(=O)N1CCCCCCCCN(CC(=O)N2CCC[C@H](O)C2)Cc2ccccc21 643576242 YQUKCACFURVKPH-QFIPXVFZSA-N 415.578 3.179 0 40 HGAB CCc1cc(N2CCN(c3ncc(Br)cn3)CC2)nc(C(C)(C)C)n1 1888869677 NZINIEIAMDAOCI-UHFFFAOYSA-N 405.344 3.216 0 40 HGAB Cc1cc(C)n(-c2ccc(N3CCN(c4ncc(C(F)(F)F)cc4F)CC3)nn2)n1 1889151934 LRSNMNAMQKBPFO-UHFFFAOYSA-N 421.402 3.159 0 40 HGAB COc1ccc([C@H]2SCCN2S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1OC 800834 SVBWCCAUULIXQZ-LJQANCHMSA-N 422.528 3.099 0 40 HGAB COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)N3CCCCC3)cc2c1 892804 SEHXXKRVAIZRMN-FQEVSTJZSA-N 408.506 3.214 0 40 HGAB COc1cc(C(=O)Nc2sc3c(c2C(N)=O)C[C@H](C)CC3)cc(OC)c1OC 2475289 MMLLLURXHAOAEV-SNVBAGLBSA-N 404.488 3.250 0 40 HGAB CN(C)S(=O)(=O)Oc1ccccc1C(=O)Nc1ccc(OC(F)(F)F)cc1 3052226 OUCQJQKSZUOTBZ-UHFFFAOYSA-N 404.366 3.023 0 40 HGAB O=C(COC(=O)c1ccccc1I)Nc1ccc(F)cc1F 3391486 KQTGJNSRHSFKDX-UHFFFAOYSA-N 417.149 3.365 0 40 HGAB CN(CC(=O)Nc1ccccc1OC(F)F)S(=O)(=O)c1ccc(Cl)cc1 3607061 XHDIOJORYGVBJD-UHFFFAOYSA-N 404.822 3.201 0 40 HGAB C[C@@H]1C(=O)O[C@H]2[C@H]1CC[C@@]1(C)Cc3sc(NC(=O)c4cnccn4)nc3[C@@H](C)[C@H]21 3840006 HGNVIZMLVTVIPZ-GWDMFLPMSA-N 412.515 3.439 0 40 HGAB biogenic,in-vitro Cc1ccc2[nH]c(=O)c(CN(CCCO)C(=S)NCCc3ccccc3)cc2c1 4131249 HUPIKFCYMUUUBL-UHFFFAOYSA-N 409.555 3.138 0 40 HGAB COCCCn1c(SCC(=O)N[C@@H]2CCCC[C@H]2C)nc2ccccc2c1=O 4160940 AEZYZLDUWSEESN-NVXWUHKLSA-N 403.548 3.220 0 40 HGAB COc1ccccc1N1C(=O)N(c2ccc(C)c(Cl)c2)[C@@H]2CS(=O)(=O)C[C@@H]21 4387447 RTQBKCNQXHHLSI-SJORKVTESA-N 406.891 3.269 0 40 HGAB Cc1ccc(NC(=O)Cn2cnc3c(cnn3-c3ccc(C)cc3C)c2=O)c(C)c1 4479259 IFPXNUPLWXZFBZ-UHFFFAOYSA-N 401.470 3.455 0 40 HGAB O=C(COC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)Nc1ccc2c(c1)CCC2 5572329 KSWZWFVOAZRFGK-UHFFFAOYSA-N 424.472 3.349 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)OCCOc2ccc(C)cc2)c1 5801843 IYFDGVFQJWJHMC-UHFFFAOYSA-N 409.479 3.400 0 40 HGAB COc1ccccc1OCCNC[C@H](O)COc1c(O)ccc2[nH]c3ccccc3c12 6019299 RWDSIYCVHJZURY-INIZCTEOSA-N 422.481 3.444 0 40 HGAB in-vitro O=C(OCc1cccc(S(=O)(=O)N2CCOCC2)c1)c1cc2ccccc2s1 6113397 ZLIWLKCBZJWMSV-UHFFFAOYSA-N 417.508 3.279 0 40 HGAB O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)Nc1ccccc1C(=O)NC1CC1 7313758 YEPQODDCSLLLOJ-UHFFFAOYSA-N 413.783 3.051 0 40 HGAB C[C@H]1CCc2ccccc2N1S(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 7404610 KADLOXMRYXYQGK-INIZCTEOSA-N 420.556 3.001 0 40 HGAB O=C(CSc1nnc(-c2ccc(F)cc2)o1)Nc1cccc(C(=O)NC2CC2)c1 8341795 JDZWCYHHPCENJS-UHFFFAOYSA-N 412.446 3.499 0 40 HGAB C[C@H]1CCCCN1CC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl 8490093 SJJFKTGCZXCJHM-HNNXBMFYSA-N 413.971 3.328 0 40 HGAB Cc1sc2ncnc(N[C@@H](C)C(=O)N(C)Cc3nc4ccccc4c(=O)[nH]3)c2c1C 8709531 OWDXLUSMFKAXAH-LBPRGKRZSA-N 422.514 3.004 0 40 HGAB CC(C)[C@H](C(=O)N[C@H](C)Cc1c[nH]c2ccccc12)n1nnc2ccccc2c1=O 9051523 XUQSQLGCHHVREM-QVKFZJNVSA-N 403.486 3.217 0 40 HGAB C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)c2cccc(-n3cccc3)c2)C1=O 9216927 YBJITXWRMBKSIC-HSZRJFAPSA-N 402.454 3.065 0 40 HGAB O=C(c1ccccc1C(F)(F)F)N1CCC(NS(=O)(=O)c2ccccc2)CC1 10375236 CXMLAGBNWFNLGA-UHFFFAOYSA-N 412.433 3.289 0 40 HGAB C[C@@H](NC(=O)Cc1c(F)c(F)c(F)c(F)c1F)c1ccc(S(C)(=O)=O)cc1 10517821 DTMIHHSKOHKVLC-MRVPVSSYSA-N 407.360 3.206 0 40 HGAB O=C(CC12CC3CC(CC(C3)C1)C2)NCC(=O)Nc1cccc(N2CCCC2=O)c1 11916916 DLLVQGJWFIVMSW-UHFFFAOYSA-N 409.530 3.475 0 40 HGAB Cc1ccc2c(c1)C(=O)C[C@H]([C@H]1CCCN(C(=O)c3cc(-c4cnn(C)c4)on3)C1)O2 12237132 BZUBXCWZJVNMSE-YCRPNKLZSA-N 420.469 3.270 0 40 HGAB COc1ccccc1CC(=O)N1CCC[C@H](c2nc3ccccc3cc2C(N)=O)C1 12330218 HFNZZHFBQCFOFS-SFHVURJKSA-N 403.482 3.291 0 40 HGAB O=C(COn1nnc2ccccc21)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 12800653 GUYOYTWNCRNSOX-LJQANCHMSA-N 421.844 3.484 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)CCC(=O)c2cccs2)c1 12886612 USJBZJWUKFMNAZ-UHFFFAOYSA-N 410.517 3.086 0 40 HGAB Cc1cc(C)n(CCC(=O)N2CCC[C@@H](c3nc4ccc(F)cc4cc3C(N)=O)C2)n1 13225385 NRSPSKMQTLZKMB-MRXNPFEDSA-N 423.492 3.082 0 40 HGAB COC(=O)[C@@H]1CCCN1c1ccc(NCc2cc3ccc(OC)cc3[nH]c2=O)cc1 13562974 IOEIFCFRJXCXSN-NRFANRHFSA-N 407.470 3.291 0 40 HGAB Cn1c(CCNC(=O)[C@@H]2CCCO2)nc2cc(NC(=O)Nc3ccccc3)ccc21 13734698 ZNXJYZZUVPSLAH-IBGZPJMESA-N 407.474 3.055 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)Cc2ccc3c(c2)CCC3)c1 14198765 VAFZODDXYOAFBR-UHFFFAOYSA-N 416.543 3.396 0 40 HGAB Cc1ccc(N(CC(=O)Nc2ccc(Br)cc2F)S(C)(=O)=O)cc1 14412617 UTOCGPDUXWQWKT-UHFFFAOYSA-N 415.284 3.301 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCC[C@H]2CC(=O)NCc2ccc(F)cc2)cc1 15391096 UJTADBIXNOLAPY-SFHVURJKSA-N 420.506 3.084 0 40 HGAB Cc1ccc(-n2nnnc2-c2cnc(N3[C@@H](C)COC[C@H]3C)nc2C(F)(F)F)cc1 16311516 ABCKBUWIUXWQCV-BETUJISGSA-N 419.411 3.060 0 40 HGAB CNc1snc(C)c1C(=O)OCC(=O)c1c(C(=O)OC)c(C)n(C2CC2)c1C 16554279 YKFIIUZPOCUTMI-UHFFFAOYSA-N 405.476 3.073 0 40 HGAB O=C1N=C(O)/C(=C2\C[C@@H](c3c[nH]c4ccccc34)NN2)C(=O)N1Cc1ccccc1 17029373 KTEFISUVHHAOMX-NSURYPBFSA-N 401.426 3.080 0 40 HGAB Cc1ccc(-n2c(SCC(=O)N3C[C@H](C)O[C@H](C)C3)nc3ccccc3c2=O)cc1 18087763 OKTHXGLWISMXRX-CALCHBBNSA-N 423.538 3.422 0 40 HGAB O=C(Nc1ccc2c(c1)COC2=O)c1cc(C2CCN(C(=O)C3CCCC3)CC2)no1 19346218 OOYJAGRGGUMYCH-UHFFFAOYSA-N 423.469 3.494 0 40 HGAB COCC(=O)N1CCC[C@](Cc2ccccc2-c2cccnc2)(C(=O)NC(C)C)C1 19448813 OEBYJIBSXBTUQB-XMMPIXPASA-N 409.530 3.071 0 40 HGAB CCn1cc(CN2CC[C@@](Cc3ccc(-c4ccccc4OC)cc3)(C(N)=O)C2)cn1 19524893 MPGKWVCCMLPMNB-VWLOTQADSA-N 418.541 3.499 0 40 HGAB CCNC(=O)[C@@]1(Cc2ccccc2-c2cncnc2)CCCN(C(=O)CC(C)C)C1 19528504 QYONKVSKODFLQK-XMMPIXPASA-N 408.546 3.477 0 40 HGAB Cc1nn(C(F)F)cc1S(=O)(=O)Nc1ccccc1OC[C@@H]1CCCCO1 19583408 VWBRGSKLSBHMEA-ZDUSSCGKSA-N 401.435 3.335 0 40 HGAB COc1nn(CC(=O)N2CCCC[C@H]2CCc2ccccc2)c(=O)c2ccccc12 19594889 KSKWVLAIVNTONO-IBGZPJMESA-N 405.498 3.419 0 40 HGAB Cc1noc(CCC(=O)N2CCC[C@H](N(C)C(=O)c3nccc4ccccc34)CC2)n1 19749892 XGDUEWMFDBFXTA-SFHVURJKSA-N 421.501 3.012 0 40 HGAB C[C@H](CCc1ccccc1)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 19868921 SQJPYTNAWSLDGG-SJLPKXTDSA-N 406.573 3.286 0 40 HGAB Cc1cc(S(=O)(=O)NCC(C)C)ccc1OCC(=O)Nc1cc(F)ccc1F 20021557 XEMAZRGWCGGKCV-UHFFFAOYSA-N 412.458 3.225 0 40 HGAB CCOC(=O)[C@@H]1C(=O)N=C(N2CCc3ccccc3C2)N[C@H]1c1ccc(Cl)cc1 20636724 BTTVJVNEYUYKJL-OALUTQOASA-N 411.889 3.105 0 40 HGAB CC(=O)N[C@H](CC(=O)Nc1cccc(S(=O)(=O)NC(C)(C)C)c1)c1cccs1 22232076 SKDBCEQGMNYCOP-MRXNPFEDSA-N 423.560 3.031 0 40 HGAB CCOc1ccccc1N(CC(=O)N[C@@H](C)c1cc(C)ccc1C)S(C)(=O)=O 22332833 XAAFYOQNINOURA-KRWDZBQOSA-N 404.532 3.346 0 40 HGAB COC(=O)c1ccc(C)c(NC(=O)CN(c2ccccc2C(C)C)S(C)(=O)=O)c1 22388827 ZPPROYAYAMPQIQ-UHFFFAOYSA-N 418.515 3.310 0 40 HGAB O=C([C@@H]1CCCN1C(=O)c1cccs1)N1CCN(C/C=C/c2ccccc2)CC1 23760919 WUQBIQOKEWGIAV-ZTJJKMQJSA-N 409.555 3.210 0 40 HGAB CC(C)=C[C@@H]1[C@H](C(=O)N2CCCN(S(=O)(=O)c3ccc(C)cc3)CC2)C1(C)C 25917964 OPNLNGKTVGYHEN-WOJBJXKFSA-N 404.576 3.456 0 40 HGAB Cc1ccccc1Cn1ccc(NC(=O)[C@@H](C)Cn2cc(Br)cn2)n1 28229943 BQCKTPNQJCGRHZ-AWEZNQCLSA-N 402.296 3.474 0 40 HGAB COc1ccc(N(Cc2nnnn2C2CC2)S(=O)(=O)c2cc(C)ccc2C)cc1 29370522 XEVYYKNHUOVTMJ-UHFFFAOYSA-N 413.503 3.029 0 40 HGAB O=c1oc2ccccc2n1CCSc1nnnn1-c1ccc(OC(F)(F)F)cc1 32777200 QXIARVCGCKCTKT-UHFFFAOYSA-N 423.376 3.261 0 40 HGAB CN(Cc1ccc(Br)s1)C(=O)COc1ccc2c(c1)CCC(=O)N2 32902081 KWTUDRDMXQBDGE-UHFFFAOYSA-N 409.305 3.433 0 40 HGAB CC[C@H](C)[C@@H](NC(=O)N1CCc2[nH]cnc2[C@@H]1c1ccc(F)c(F)c1F)C(=O)OC 36601720 NAJNDDFNMZKUJN-HIIUDZQISA-N 424.423 3.072 0 40 HGAB O=C(Cc1ccc(NC(=O)[C@H]2COc3ccccc3O2)cc1)NCc1cccs1 38678448 QLYGTMNOMGBGJC-HXUWFJFHSA-N 408.479 3.386 0 40 HGAB COc1cccc(NC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(C(C)(C)C)ccc3O2)c1 38834212 FWPBVFGUUNADRC-IBGZPJMESA-N 418.515 3.158 0 40 HGAB C[C@@H](NC(=O)OCc1ccccc1)C(=O)NC[C@H](c1ccccc1Cl)N(C)C 39976132 WOCMOECVIBGTKX-DNVCBOLYSA-N 403.910 3.374 0 40 HGAB O=C(CN1Cc2ccccc2[C@@H](c2ccccc2)C1)N1CCN(c2ccccn2)CC1 40051485 QEZUQRBADUYNDU-XMMPIXPASA-N 412.537 3.378 0 40 HGAB O=C(NCc1ccc(N2CCCC[C@@H]2CCO)nc1)c1ccccc1OC(F)F 40150255 GAZXYRVDPXHDFN-MRXNPFEDSA-N 405.445 3.354 0 40 HGAB O=C(NC[C@@H](c1ccccc1)N1CCCC1)Nc1cccc(Cn2cccnc2=O)c1 47732879 BILYUNOSQRWUNV-QFIPXVFZSA-N 417.513 3.250 0 40 HGAB COc1ccc(N(Cc2cccc(F)c2)S(=O)(=O)c2ccc3nncn3c2)cc1 49408302 OGSXBRZGGWTKGZ-UHFFFAOYSA-N 412.446 3.273 0 40 HGAB C[C@H](NC(=O)N1CCN(c2ccc(F)cc2)CC1)C(=O)Nc1ccc2[nH]ccc2c1 49544709 WFKXRBJKAXXEDX-HNNXBMFYSA-N 409.465 3.166 0 40 HGAB C[C@H](Oc1ccc(C(=O)N[C@@H]2CCCN(c3ncccn3)C2)cn1)c1ccccc1 65587913 AGTVNXXYQFUDHS-FXAWDEMLSA-N 403.486 3.410 0 40 HGAB C[C@@H]1CCCN(c2nc3ncn(CC(=O)Nc4ccc(F)cc4F)c(=O)c3s2)C1 67226184 KMHTXLGJKDWEJK-LLVKDONJSA-N 419.457 3.006 0 40 HGAB CCc1ccc(-n2c(O)nc3nc(NCc4ccccc4OC)ncc3c2=O)cc1 67263566 XRMPVXKLFJJUIG-UHFFFAOYSA-N 403.442 3.064 0 40 HGAB CC(=O)c1cccc(NC(=O)Cn2nnc(C(=O)Nc3ccccc3Cl)c2C)c1 67322992 RCWHMMCOPAJBRT-UHFFFAOYSA-N 411.849 3.334 0 40 HGAB COc1cc(C)c2[nH]c3c(c(=O)c2c1)CN(CC(=O)Nc1ccc(F)cc1F)CC3 67349910 OSUJMLZDAIDHSJ-UHFFFAOYSA-N 413.424 3.120 0 40 HGAB O=C(CN1CCN(c2ccc(Cl)cc2)CC1)NC[C@H]1CCN(c2ccccc2)C1 69419519 YJAKXHITOVYFDM-LJQANCHMSA-N 412.965 3.105 0 40 HGAB Cc1cc(S(=O)(=O)Nc2cc(-c3ccncc3)nn2C)ccc1Br 72301885 DBVZSTARJKXSCZ-UHFFFAOYSA-N 407.293 3.354 0 40 HGAB Cc1ccc(NC(=O)CN(CC(C)C)c2cccc(O)c2)cc1S(=O)(=O)N(C)C 72308467 VFBBRRXCTFIVCZ-UHFFFAOYSA-N 419.547 3.052 0 40 HGAB Cc1noc(-c2cc(=O)n(CC(=O)NCc3ccco3)nc2-c2cccs2)c1C 72337652 KPUUTLQVDSTZJI-UHFFFAOYSA-N 410.455 3.153 0 40 HGAB Nc1ncc(-c2cccc(F)c2)c([C@H]2CCCCN2CC(=O)Nc2ccccn2)n1 72377019 USYZIGVFVOCCBW-GOSISDBHSA-N 406.465 3.426 0 40 HGAB O=C(CCc1ccc(F)cc1)N1CCC[C@@H](c2ccnc(Nc3ncccn3)n2)C1 72378099 LDLINGLFZBNJKU-QGZVFWFLSA-N 406.465 3.488 0 40 HGAB O=S(=O)(c1cccc2cccnc12)N1CCC[C@H](c2nnc(-c3cccnc3)o2)C1 72389999 VKRNNCAZABWCCG-KRWDZBQOSA-N 421.482 3.248 0 40 HGAB Fc1ccc(-c2cc(CNc3ccc(N4CCOCC4)cc3)c3nnnn3c2)cc1 72392340 ZJRBCWLFGVYHMA-UHFFFAOYSA-N 404.449 3.379 0 40 HGAB Cc1cc(-c2cccc(F)c2)nnc1N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 78903751 IUDITPQJBHJQGE-UHFFFAOYSA-N 420.444 3.282 0 40 HGAB O=C(c1cccc(=O)n1CCOc1ccccc1Cl)N1CCO[C@H]2CCCC[C@@H]21 89814508 ZHAURTIEAFQFMT-PXNSSMCTSA-N 416.905 3.364 0 40 HGAB CNC(=O)c1ccc(S(=O)(=O)Nc2cnn(-c3ccccc3)c2C(F)(F)F)cc1 95469147 MDJRGQNJYANXJM-UHFFFAOYSA-N 424.404 3.052 0 40 HGAB O=C(NCc1ccccc1CN1CCC[C@@H]1CO)c1cc(F)cc(Br)c1 96007077 MNVYPNMOGNDWQV-LJQANCHMSA-N 421.310 3.475 0 40 HGAB NS(=O)(=O)c1cc(C(=O)Nc2ccc(Br)c(F)c2)ccc1Cl 96171168 FMCGSESHXPFDIK-UHFFFAOYSA-N 407.648 3.141 0 40 HGAB O=C(COC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1)c1ccccc1 102066168 XSMIQSJYQZSIAO-ZCLUNYJNSA-N 401.418 3.038 0 40 HGAB COc1ccc(NC(=O)c2cnn3c2NC(C(=O)O)=C[C@H]3c2ccc(F)cc2)cc1 102820670 ZOYDOHVKDYCSRG-SFHVURJKSA-N 408.389 3.267 0 40 HGAB CCOC(=O)[C@H](C(=O)CSc1nnc(-c2ccco2)n1CC)c1nc(C)cs1 103032611 NRDXVBXTXLEYQG-CQSZACIVSA-N 420.516 3.331 0 40 HGAB COc1ccc2c(c1)[C@@H](NC(=O)CCCN1C(=O)c3ccccc3C1=O)CC(C)(C)O2 219139125 CADGZTSVHNOSRW-IBGZPJMESA-N 422.481 3.490 0 40 HGAB Cc1cccc(N([C@@H](C)C(=O)NCc2cccc(OC(C)C)c2)S(C)(=O)=O)c1 220139148 YUXJPECGEDTZFE-KRWDZBQOSA-N 404.532 3.253 0 40 HGAB Cc1ccc(N([C@@H](C)C(=O)NCCSC(C)(C)C)S(C)(=O)=O)cc1Cl 220360753 SUUIOTJVBBKEFY-ZDUSSCGKSA-N 407.001 3.451 0 40 HGAB CC[C@H](C(=O)N[C@@H](C)COc1ccc(C)cc1)N(c1cccc(C)c1)S(C)(=O)=O 220524880 RMJPKGYYHNUIBW-GHTZIAJQSA-N 418.559 3.432 0 40 HGAB O=C(O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)N1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 222421183 KZRCQJRZZOWBOO-IHETXDGRSA-N 409.313 3.161 0 40 HGAB C[C@@H](NC(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O)c1ccc2c(c1)CCC2 223167179 OTBBGTADUUTOPD-CQSZACIVSA-N 406.935 3.472 0 40 HGAB OCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(Cl)cn1 223629003 QFZRCJUSJJJKIB-OALUTQOASA-N 413.934 3.276 0 40 HGAB CCCc1ccc(OCCNC(=O)CN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 223629334 MYHOBZNSYARCNU-UHFFFAOYSA-N 418.559 3.217 0 40 HGAB CCCC[C@H](CC)CNC(=O)CN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 223685457 FYPOLFYYTYUEDD-AWEZNQCLSA-N 404.960 3.447 0 40 HGAB C[C@H](NS(=O)(=O)Cc1c(F)cccc1Cl)c1ccc(S(C)(=O)=O)cc1 223857841 RFHBHQQZYCJSAJ-NSHDSACASA-N 405.900 3.063 0 40 HGAB CC[C@H](C(=O)Nc1ccc(N2CCCC2)cc1)N(c1ccccc1)S(C)(=O)=O 224920161 YQQCEBVDPDTTRE-HXUWFJFHSA-N 401.532 3.470 0 40 HGAB C[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCSC1CCCCC1 224966825 HPDPNRQKDCXLFM-HNNXBMFYSA-N 414.593 3.032 0 40 HGAB COc1ccc2cc(S(=O)(=O)NCc3ccc(CN4CCCC4=O)cc3)ccc2c1 225374930 DNZDAKGPQZNCJV-UHFFFAOYSA-N 424.522 3.449 0 40 HGAB COC(=O)c1ccccc1NC(=O)Cn1ccc(=O)c2cc(Br)ccc21 225729360 KQRWRDATDUPBKU-UHFFFAOYSA-N 415.243 3.189 0 40 HGAB Cc1ccc(N2C[C@@H]3C[C@@]3(C(=O)Nc3ccc(OC(C)C)cc3)S2(=O)=O)cc1 225941276 GIDMQAWFWGSZPV-HRAATJIYSA-N 400.500 3.329 0 40 HGAB CO[C@@H]1CN(CC(=O)Nc2nc(-c3ccccc3)c(C)s2)CC[C@]12CCCO2 257226665 FLPXQMMSBXEOTM-DYESRHJHSA-N 401.532 3.327 0 40 HGAB COc1ccc(CCN(CC(=O)O)C2CCN(c3ccc(F)cc3)CC2)cc1OC 257256813 KNADVQCTTWRKLI-UHFFFAOYSA-N 416.493 3.441 0 40 HGAB CCN(Cc1ccc(C(=O)NC[C@H]2CCCO2)cc1)S(=O)(=O)c1ccc(C)cc1 260565416 NWTXCNKTTXPMOZ-HXUWFJFHSA-N 416.543 3.115 0 40 HGAB CCc1ccc(CNC(=O)c2ccccc2NC(=O)C(=O)NCc2ccccc2)cc1 408710018 LNCIXUJBGOKRHJ-UHFFFAOYSA-N 415.493 3.434 0 40 HGAB Cc1ccc(CC(=O)N2C[C@]3(CCCN(CC4CC4)C3=O)C[C@@H]2c2cn(C)cn2)cc1 585106492 VZEWFIMWZYXMHE-RDGATRHJSA-N 420.557 3.263 0 40 HGAB Cc1ccc(CC(=O)N2CCO[C@]3(C2)C(=O)N(C(C)C)C[C@@H]3c2ccccc2)cc1 585106753 HMYJIYOVPTUEGT-RDGATRHJSA-N 406.526 3.170 0 40 HGAB COc1cc2c(cc1OC)[C@H](CC(=O)O)N(C(=O)c1cccc3cccnc13)CC2 621539206 BRAGLBKOSYKYPC-SFHVURJKSA-N 406.438 3.466 0 40 HGAB C[C@@H]1CCCCN1CC(=O)Nc1ccc(F)c(NC(=O)c2cnn(C(F)F)c2)c1 1526736400 CTRVOIRTPIMMBZ-GFCCVEGCSA-N 409.412 3.483 0 40 HGAB CCCn1ccnc1CN1CCCCCc2ccccc2OC[C@@H](O)[C@@H](O)CC1 1615158777 FJUUAPJSOSHJDP-LEWJYISDSA-N 401.551 3.012 0 40 HGAB O=C1CCCC[C@]2(CN(S(=O)(=O)c3ccccc3)C[C@H]2c2ccc(F)cc2)N1 1848355901 RRRHGIIRJCKAAN-PZJWPPBQSA-N 402.491 3.043 0 40 HGAB COc1cc(C)c(C)cc1S(=O)(=O)NCCc1ccc(-c2cnn(C)c2)s1 1889236425 WXVJIRFAHOPSEU-UHFFFAOYSA-N 405.545 3.295 0 40 HGAB CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1cn(C2CCCCC2)nn1 2087137400 LAHABKTZSJAUJE-UHFFFAOYSA-N 402.495 3.144 0 40 HGAB Cc1cccc(N2C[C@@H](C(=O)N[C@H](c3cccc(F)c3)c3nccn3C)CC2=O)c1C 29080387 DKFYOEMWLYPQJX-PGRDOPGGSA-N 420.488 3.435 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)c3ccc(F)cc3)CC2)cc1 1365485 RYNGCKPFKBPRHJ-HNNXBMFYSA-N 420.506 3.112 0 40 HGAB CCOC(=O)N1CCN(c2nc(C)c3c(n2)C[C@H](c2ccc(C)cc2)CC3=O)CC1 20671336 JBISMKONVNHPNX-SFHVURJKSA-N 408.502 3.285 0 40 HGAB O=C(COC(=O)CC1CCCCC1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 6085172 BJCWSLYGJQCZBE-UHFFFAOYSA-N 422.547 3.313 0 40 HGAB CC[C@H](C)NC(=O)c1ccccc1NS(=O)(=O)c1ccc(N2CCCC2=O)cc1 7709162 HPTRDVHZLZAWTA-HNNXBMFYSA-N 415.515 3.143 0 40 HGAB Cc1ccc(CSCCNC(=O)[C@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)cc1 7872006 KPFYLCCTCBYLLE-INIZCTEOSA-N 424.563 3.338 0 40 HGAB O=S(=O)(c1ccc(Cl)c(C(F)(F)F)c1)N1CCN(Cc2ccncc2)CC1 21182127 HOXVTKNVPCJTIY-UHFFFAOYSA-N 419.856 3.260 0 40 HGAB O=C1[C@@H]2Cc3c([nH]c4ccccc34)[C@H](c3ccccc3)N2C(=O)CN1Cc1ccncc1 8964903 PSQRHEOLMCGTGS-DHLKQENFSA-N 422.488 3.448 0 40 HGAB biogenic Cc1ccccc1N(CC(=O)NCCOc1ccc2ccccc2c1)S(C)(=O)=O 10995860 GFFLGFDHFSIUTG-UHFFFAOYSA-N 412.511 3.109 0 40 HGAB Cc1ccc(S(=O)(=O)N2/C=C/CN(S(=O)(=O)c3ccc(C)cc3)/C=C/C2)cc1 104085470 BELQCFGSYUDSBR-NFQXEVFFSA-N 418.540 3.026 0 40 HGAB Cc1ccc(N2C(=O)C[C@H](c3c(C)nn(-c4nc5ccccc5o4)c3O)C2=O)cc1 101983787 AGTGCANQARZQDR-OAHLLOKOSA-N 402.410 3.383 0 40 HGAB O=C(NCCS(=O)(=O)NCc1ccccc1)c1ccccc1Oc1ccccc1 32931930 GYZKZKWSIFGMAF-UHFFFAOYSA-N 410.495 3.328 0 40 HGAB CCCCN(CC(F)(F)F)C(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 32915542 AVDKOBYEBTZDMF-CYBMUJFWSA-N 400.397 3.002 0 40 HGAB CCC(=O)c1ccc(OCC(=O)NCC(=O)Nc2ccccc2Br)cc1 9639319 SPYWSSUCDKUZEX-UHFFFAOYSA-N 419.275 3.176 0 40 HGAB COc1ccc(CNC(=O)c2ccc(Cl)c(I)c2)cn1 32924266 QYORQPCRAHADFR-UHFFFAOYSA-N 402.619 3.278 0 40 HGAB O=C(Cn1nnc2ccccc2c1=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1 7990733 OOBHYXXOQSUCAE-OAQYLSRUSA-N 404.857 3.351 0 40 HGAB C[C@]12CC[C@@H](O)C[C@H]1CC[C@@H]1[C@@H]2[C@H](O)C[C@]2(C)[C@@H](c3ccc(=O)oc3)C[C@@H](O)[C@@H]12 118928240 BOZCCNBSFTVVSL-KRQXBRAQSA-N 402.531 3.069 0 40 HGAB C[C@@H](NC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1Cl)c1ccccc1 110217081 XBOIGBKFXPZPHI-OAHLLOKOSA-N 422.934 3.381 0 40 HGAB O=C(c1cccnc1N1CCOCC1)N1CCCc2cc(OC(F)(F)F)ccc21 41866954 HCBZYYMXINXWEN-UHFFFAOYSA-N 407.392 3.410 0 40 HGAB COc1ccc2[nH]c3c(c2c1)CN(C(=O)Cn1nc(-c2cccs2)ccc1=O)CC3 61718161 ZQOMSEBMDRXIMQ-UHFFFAOYSA-N 420.494 3.047 0 40 HGAB CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CCN2CCCc3ccccc32)c1 16442588 OMWQBOUDDUCSBT-UHFFFAOYSA-N 421.950 3.372 0 40 HGAB COc1ccc(Cn2nnnc2S[C@H](C)C(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)cc1 104802640 HVIOVIXPHHQRFD-CMASPNFDSA-N 415.563 3.152 0 40 HGAB CC(C)[C@@H](CNC(=O)Cc1ccc(NC(=O)OC(C)(C)C)cc1)N1CCOCC1 24770709 CZIBOYHBCUCTHA-LJQANCHMSA-N 405.539 3.049 0 40 HGAB COC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)N2C2CC2)cc1 1443728 XWRQKQSXBQXPLO-IBGZPJMESA-N 421.453 3.110 0 40 HGAB CC(C)n1ncc2cc(C(=O)Nc3cc(C(N)=O)ccc3N3CCCCC3)cnc21 25249965 PWCFPRFMJQVOSN-UHFFFAOYSA-N 406.490 3.354 0 40 HGAB COCCCNC(=O)CN(C)Cc1cn(-c2ccccc2)nc1-c1ccc(OC)cc1 58099719 YHPIUKGZFYULLL-UHFFFAOYSA-N 422.529 3.132 0 40 HGAB CC(=O)N1CCC[C@H](C(=O)OCc2nnc(-c3c(-c4ccccc4)noc3C)o2)C1 16554526 SMORLXIALLPFNC-INIZCTEOSA-N 410.430 3.002 0 40 HGAB Cc1c(Cc2ccccc2)c(=O)oc2c(C)c(O[C@H](C)C(=O)N[C@@H](C)C(=O)O)ccc12 2156235 QNQORKPXIPGGOB-JKSUJKDBSA-N 423.465 3.357 0 40 HGAB biogenic COc1cc(/C=C/C(=O)OCC(=O)Nc2ccc3c(c2)OCO3)cc(Cl)c1OC 3375158 FPPYSRWWNGSYGI-ZZXKWVIFSA-N 419.817 3.281 0 40 HGAB Cc1cccc(O[C@H](C)C(=O)N(Cc2ccccc2)[C@@H]2CCS(=O)(=O)C2)c1C 2337004 LBQLKJCVCZHZNJ-UYAOXDASSA-N 401.528 3.287 0 40 HGAB C[C@H](NC(=O)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1)c1cccc(Cl)c1 12800633 DOCVHFAOTDLWIB-KBXCAEBGSA-N 422.934 3.288 0 40 HGAB CCN(CC)S(=O)(=O)c1cccc(C(=O)OCc2cnn(-c3ccccc3)c2)c1 16718434 ZWOXBCKUPOCZBP-UHFFFAOYSA-N 413.499 3.260 0 40 HGAB Cc1cc(C)n(-c2ccc(C(=O)O[C@H](C)C(=O)Nc3ccc4c(c3)OCO4)cc2)n1 3469118 JSTNRDBPISXMCQ-OAHLLOKOSA-N 407.426 3.402 0 40 HGAB O=C(NCc1ccccc1S(=O)(=O)N1CCCCC1)c1ccccc1OC(F)F 12921158 SRCSJJRZUPRUIK-UHFFFAOYSA-N 424.469 3.393 0 40 HGAB O=c1[nH]c(O)c([C@H]2NCCc3c2[nH]c2ccccc32)c(=O)n1-c1cccc2ccccc12 16972176 FDQKEPIVTIKFEE-JOCHJYFZSA-N 424.460 3.101 0 40 HGAB biogenic COC(=O)CN1C(=O)N(c2ccccc2)[C@@H](N(O)C(=O)Nc2ccccc2)C1(C)C 13116118 DOOWTBWLAJPLCO-SFHVURJKSA-N 412.446 3.130 0 40 HGAB O=C(CN1CCC[C@@H]1c1ccc2c(c1)OCCCO2)NC(=O)NC1CCCCC1 8310456 IGUSXKUKOYDCFT-GOSISDBHSA-N 401.507 3.143 0 40 HGAB CCOc1ccc(NC(=O)[C@H]2CCN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cc1 38834386 VOPOYEOKGGRURR-GOSISDBHSA-N 424.906 3.295 0 40 HGAB Cc1cc(C)c2cc(C(=O)OCC(=O)N3CCN(c4ccc(F)cc4)CC3)[nH]c2c1 39536136 JZLBDLYKPAFVDC-UHFFFAOYSA-N 409.461 3.429 0 40 HGAB CN(CC(=O)NCCc1c[nH]c2ccccc12)S(=O)(=O)c1ccc2ccccc2c1 14199724 UMLLSVIDCMJHEC-UHFFFAOYSA-N 421.522 3.301 0 40 HGAB COc1cc(CSc2nnc(-c3ccco3)n2N)c(OC)cc1Br 14180791 GKMXPBGSKPULPE-UHFFFAOYSA-N 411.281 3.324 0 40 HGAB COCCN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@H]1c1ccc(C(=O)OC)cc1 6732792 NFZFAUHEMGNSTQ-LJQANCHMSA-N 407.422 3.080 0 40 HGAB CCN1C[C@H](CN(C)CC(=O)Nc2ccc(N3CCCC3)cc2)Oc2ccccc21 8727691 ZXWHJKKGONTDEO-NRFANRHFSA-N 408.546 3.445 0 40 HGAB Cc1ccc(NC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)cc1 27642637 ODWQLGLFETYSFF-UHFFFAOYSA-N 409.895 3.313 0 40 HGAB CCOc1ccc(C(=O)Nc2ccc(OC)cc2OC)cc1S(=O)(=O)NC(C)C 408700299 CUJVLCMAVLSXNE-UHFFFAOYSA-N 422.503 3.042 0 40 HGAB COc1cccc(NC(=O)Cn2cc(C(=O)C(=O)N3CCCCC3)c3ccccc32)c1 408575959 XBZGICGGMJLTIL-UHFFFAOYSA-N 419.481 3.484 0 40 HGAB Cc1cc(SCC(=O)N(C2CC2)[C@@H]2CC(O)=NC2=O)c(C)cc1Br 96402215 ATNGOUGCVXPFTI-CYBMUJFWSA-N 411.321 3.404 0 40 HGAB Cc1cc(C(=O)CSc2nnnn2C[C@@H]2CCCO2)c(C)n1Cc1ccccc1 9862320 VPSBAXGDGNGHJA-SFHVURJKSA-N 411.531 3.294 0 40 HGAB CC(C)NC(=O)CCc1nnc2n(Cc3ccccc3Cl)c(=O)c3ccccc3n12 9831523 ZLWBABPDKJSASB-UHFFFAOYSA-N 423.904 3.203 0 40 HGAB C[C@@H](c1cnn(C)c1)N(C)C(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1 95464531 YWXHPUXCERPYIB-ZDUSSCGKSA-N 404.517 3.116 0 40 HGAB CCOc1ccc(CC(=O)N2CCN(c3cc(-c4ccc(OC)cc4)n[nH]3)CC2)cc1 98212555 REFAFSUTRHLCPC-UHFFFAOYSA-N 420.513 3.375 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)OCc3nc4ccccc4o3)CC2)cc1 21340620 GATZDVWWQJRGAL-UHFFFAOYSA-N 414.483 3.280 0 40 HGAB COc1cccc(CN2C[C@H]3CCn4c(C(=O)Nc5ccccc5)nnc4[C@H]3C2)c1 306125156 CICUWIYXMVFZOV-XLIONFOSSA-N 403.486 3.158 0 40 HGAB Cc1ccc(C(=O)NCc2nnc(SCC(=O)Nc3ccc(C)cc3C)n2C)cc1 409349906 WKSYXDXNJXJYTQ-UHFFFAOYSA-N 423.542 3.401 0 40 HGAB CCOc1ccc(S(=O)(=O)Nc2ccc(N3CCN(CC)CC3)c(C)c2)cc1 36397155 XQTTURMVYOLLCY-UHFFFAOYSA-N 403.548 3.336 0 40 HGAB CSCC[C@@H](NC(=O)[C@@H]1CCCN(c2ncccn2)C1)c1nc2ccccc2n1C 504698913 NRGCJIKFNRXEMU-SJLPKXTDSA-N 424.574 3.190 0 40 HGAB O=C(COCc1nc2ccccc2c(=O)[nH]1)N[C@@H]1CC2(CCCC2)Oc2ccccc21 72346640 HPBISALBENKRNV-LJQANCHMSA-N 419.481 3.393 0 40 HGAB Cn1cc(-c2cc(C(=O)N3CCC([C@H]4CC(=O)c5cc(F)ccc5O4)CC3)no2)cn1 72336694 AVQJTRCGRTUCPA-HXUWFJFHSA-N 424.432 3.100 0 40 HGAB CCN1C(=O)/C(=C/c2cn(CC(=O)NC3CCCC3)c3ccccc23)N(C)C1=S 39556335 FZLDAYJUWAEFKR-UNOMPAQXSA-N 410.543 3.120 0 40 HGAB CC[C@H](NC(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C)c1ccc(C)cc1C 219244723 KBPIZAAICGOJTH-IBGZPJMESA-N 421.538 3.323 0 40 HGAB COc1cccc([C@@H](c2nnnn2C(C)C)N2CCN(c3ccccc3)CC2)c1OC 35310716 FLMXVMBAIVJBRS-NRFANRHFSA-N 422.533 3.183 0 40 HGAB COc1cc2c(cc1OC)N(C)S(=O)(=O)C(C(=O)NC1CCCCCCC1)=C2C 219190644 YTPLVZXIFONLBI-UHFFFAOYSA-N 422.547 3.444 0 40 HGAB O=C(NC[C@@H](c1ccccc1Cl)N1CCCC1)[C@H]1CCCN(c2cnccn2)C1 40063322 LZLJJZFGRVTUKL-PXNSSMCTSA-N 413.953 3.300 0 40 HGAB CC[C@H](NC(=O)[C@H]1CCN(S(C)(=O)=O)c2ccccc2O1)c1ccc(C)cc1 44935985 JLBXWXWVIAKLMG-FXAWDEMLSA-N 402.516 3.180 0 40 HGAB C[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1 40112186 QXAICYGBTJMMIH-KXBFYZLASA-N 406.935 3.241 0 40 HGAB CC[C@H](C(=O)N[C@H]1CCCc2ccccc21)N(c1ccc(OC)cc1)S(C)(=O)=O 220656913 NXYXLVPCHHEISP-LEWJYISDSA-N 416.543 3.434 0 40 HGAB O=C(NCC1(c2cccs2)CCOCC1)c1ccccc1S(=O)(=O)C(F)F 96120234 VNJPVFMZOWIBER-UHFFFAOYSA-N 415.483 3.223 0 40 HGAB O=C(O)c1ccccc1C(=O)NC[C@H]1Cn2c(-c3ccc(Cl)cc3)cnc2CO1 96296319 OFOJAPRYWKCXKX-HNNXBMFYSA-N 411.845 3.231 0 40 HGAB biogenic,in-vitro O=C(CCCN1C(=O)c2ccccc2S1(=O)=O)Nc1ccc(Br)cc1 95481771 NKWGIUCSTBUHQN-UHFFFAOYSA-N 423.288 3.013 0 40 HGAB COC(=O)c1nc(NC(=O)[C@@H](C)N2Cc3ccccc3C2=O)sc1CC(C)C 95477326 KDTNTWWEHYQEHY-GFCCVEGCSA-N 401.488 3.111 0 40 HGAB CN(C)c1ncc(I)c([C@H]2CCCN2C(=O)OC(C)(C)C)n1 95627295 RCHGEHVOIUNLLB-LLVKDONJSA-N 418.279 3.219 0 40 HGAB Cc1nn(C)cc1NC(=O)CN1CCC(c2cccc(Nc3ccccn3)n2)CC1 257298579 RMIWYFLHZWYWCR-UHFFFAOYSA-N 405.506 3.080 0 40 HGAB COc1cccc(Cc2cnc([C@@]3(C)CCCN(C(=O)C4CCN(C)CC4)C3)o2)c1 257296869 RESDSWHVHCZSOD-DEOSSOPVSA-N 411.546 3.496 0 40 HGAB COCC(=O)N[C@H]1[C@H](c2ccccc2)N(Cc2ccccc2Cl)CC[C@@]1(C)O 604383305 UKNNTDHWAXBCBP-FDFHNCONSA-N 402.922 3.169 0 40 HGAB biogenic,in-vitro Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)N[C@H](C)C(C)C)Oc3ccc(C)cc32)cc1 260908004 VYHICGBWFIZNGV-DYESRHJHSA-N 416.543 3.420 0 40 HGAB Cc1cc(C(=O)N(CC2CC2)C[C@@H]2CN(C)CCO2)nn1-c1ccccc1Cl 622535606 ALLOPLUXYDVZPD-KRWDZBQOSA-N 402.926 3.017 0 40 HGAB CCC[C@H](C)N1C[C@H]2C(=O)NC3(CCN(C(=O)C4(c5ccc(C)cc5)CC4)CC3)[C@H]2C1 585106197 BNAUKOGZFBJDKF-NNWRFLSQSA-N 423.601 3.254 0 40 HGAB Cc1cc(C)nc(Nc2ccc([C@H]3CCCN(C(=O)/C=C/c4cnn(C)c4)C3)nc2)n1 585291045 IJNQTAPPMHXDNQ-AIADIJKESA-N 417.517 3.385 0 40 HGAB O=C(N1CC[C@H](c2ccccc2F)S(=O)(=O)CC1)C1(c2ccc(F)cc2)CC1 585396027 UCJFMUOBPWMLDF-LJQANCHMSA-N 405.466 3.385 0 40 HGAB COC(=O)c1ccccc1C(=O)N1[C@H]2CC[C@H]1CC(S(=O)(=O)c1ccccc1)C2 101119837 RDFAFIUHLSTXRF-HOTGVXAUSA-N 413.495 3.083 0 40 HGAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C)o3)c(=O)n2[C@H]1c1ccc(C)cc1 665022 RCQZVRSRGCHSKE-SQWSFHKJSA-N 422.506 3.008 0 40 HGAB CCc1nc2ccccc2n1[C@@H](C)C(=O)N1CCC2(CC1)NC(=O)c1ccccc1N2 12116288 WOAMOOJPVFSDOL-INIZCTEOSA-N 417.513 3.334 0 40 HGAB Cc1cc(-c2cncnc2C2CCN(C(=O)c3ccc(Cn4cccn4)o3)CC2)on1 12127699 ANMOTDRCUNPPSM-UHFFFAOYSA-N 418.457 3.298 0 40 HGAB O=C(CN1CCN(c2ccccc2)CC1)Nc1ccnn1Cc1cccc(Cl)c1 12561986 BCZDNQAQCNLOEX-UHFFFAOYSA-N 409.921 3.346 0 40 HGAB COC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)CN1CCC(O)CC1 12877035 KYCCSGWQMWDQEO-UHFFFAOYSA-N 408.907 3.250 0 40 HGAB CC[C@@H](C)NC(=O)[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1 13680137 REKWDLHBLWRKMX-FZKQIMNGSA-N 408.907 3.211 0 40 HGAB CC[C@H](C(=O)Nc1cccc(C(=O)OC)c1)N(c1ccc(Cl)cc1)S(C)(=O)=O 13715020 SXTYXOHNWLEDKQ-QGZVFWFLSA-N 424.906 3.310 0 40 HGAB Cc1cccn2c(=O)cc(COc3ccc(NS(=O)(=O)c4ccccc4)cc3)nc12 15865431 MHKPWTUPWBUWGR-UHFFFAOYSA-N 421.478 3.383 0 40 HGAB CNC(=O)c1cc([C@H]2CCN(C(=O)Cc3cc(C)ccc3OC)C2)nc2ccccc12 19761543 TXWXIVJJTHBQGY-KRWDZBQOSA-N 417.509 3.470 0 40 HGAB CCOc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NCCO)c2ccccc12 3009796 NRCBURQLCRHHDI-PGMHBOJBSA-N 404.466 3.118 0 40 HGAB Cc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)c(C)n1-c1ccc(C#N)cc1 7495249 HDLZQQGOIGMIPY-UDWIEESQSA-N 402.454 3.370 0 40 HGAB CCCn1cc(C(=O)Nc2cc(NC(=O)CN3CCCC[C@@H]3C)ccc2F)cn1 513710096 OOGHHHXFZFMXPG-HNNXBMFYSA-N 401.486 3.497 0 40 HGAB Cn1cc(CN2CCC([C@@H]3Nc4ccccc4S(=O)(=O)N3)CC2)c2ccccc21 12089482 UPHNNMSMLDHJFO-JOCHJYFZSA-N 410.543 3.120 0 40 HGAB COc1ccccc1C1=NO[C@H](CC2(C(=O)NCCc3ccccn3)CCOCC2)C1 12088834 PPSIYVHIYFRMEX-IBGZPJMESA-N 423.513 3.129 0 40 HGAB NC(=O)c1cc2cc(F)ccc2nc1[C@H]1CCCN(C(=O)CCc2cccnc2)C1 12256258 QHIKPGDZMIKQOK-INIZCTEOSA-N 406.461 3.207 0 40 HGAB CCC[C@@]1(CO)CCN(S(=O)(=O)c2cnc3onc(-c4ccccc4)c3c2)C1 562070143 KLODYKSNRPTSHO-HXUWFJFHSA-N 401.488 3.063 0 40 HGAB CS(=O)(=O)Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)cc1 9253660 COTHTFADXRVAKL-UHFFFAOYSA-N 424.404 3.083 0 40 HGAB O=C(COc1ccc(Cl)cc1)N1CCC(Cn2nc3c(cc2=O)CCCC3)CC1 1775985845 BSCFZBPFGYDLDQ-UHFFFAOYSA-N 415.921 3.093 0 40 HGAB COCc1ccc(C(=O)N2CCCn3ncc(C(=O)Nc4cccc(F)c4)c3C2)cc1 1565556675 PLDFEZNPRJDDMI-UHFFFAOYSA-N 422.460 3.467 0 40 HGAB O=C(CCn1c(=S)[nH]c2cc3c(cc2c1=O)OCO3)NCCC1=CCCCC1 2975355 QECXRSQJJUHHEA-UHFFFAOYSA-N 401.488 3.185 0 40 HGAB COc1cccc(C(=O)Nc2c3c(nn2-c2ccc(C)cc2)C[S@@](=O)C3)c1OC 4106214 WGPUEUCSVMXMRN-GDLZYMKVSA-N 411.483 3.213 0 40 HGAB O=C(CSc1nnc(NC(=O)NC2CCCCC2)s1)NCCc1ccccc1 4851409 YEKSGKAAKOOALR-UHFFFAOYSA-N 419.576 3.443 0 40 HGAB COc1ccc(OC)c2sc(N(C[C@@H]3CCCO3)C(=O)c3cc(C)nn3C)nc12 9201133 GXIWCIKAPJFHNG-ZDUSSCGKSA-N 416.503 3.181 0 40 HGAB COc1ccc(S(=O)(=O)Nc2nc(C(=O)Nc3ccc(F)cc3)cs2)cc1 11693247 URGQIMHYCSJKFX-UHFFFAOYSA-N 407.448 3.344 0 40 HGAB CCOc1ccc(NC(=O)CSC2=NS(=O)(=O)c3ccccc3N2CC)cc1 12414836 VDNQUBFBZADONL-UHFFFAOYSA-N 419.528 3.342 0 40 HGAB COc1ccc(NC(=O)C[C@H]2CCCCN2S(=O)(=O)c2ccc(OC)cc2)cc1 15391078 XFEQKGAOYYLEQG-QGZVFWFLSA-N 418.515 3.276 0 40 HGAB CCOC(=O)C1CCN([C@H](c2ccccc2)c2sc3nc(CC)nn3c2O)CC1 22853452 GJQHTKMMZXBUHY-QGZVFWFLSA-N 414.531 3.423 0 40 HGAB O=S(=O)(c1cccnc1)N1CCC(COc2cc(-c3ccccc3)ncn2)CC1 1775972495 IGDZOBJRWPGMMJ-UHFFFAOYSA-N 410.499 3.018 0 40 HGAB O=C(Nc1ccc(F)cc1C(=O)N1CCN(Cc2ccccc2)CC1)N1CCCC1 1083103406 RRMSHVGMARDLPV-UHFFFAOYSA-N 410.493 3.411 0 40 HGAB C[C@@H](NC(=O)OC(C)(C)C)c1nnc(S(=O)(=O)Cc2cccc(Cl)c2)o1 16012771 XISJHPPLFPACMZ-SNVBAGLBSA-N 401.872 3.283 0 40 HGAB Cc1ccc(-c2nn(CC(=O)Nc3ccc4c(c3)OCO4)c(=O)c3c2CCCC3)cc1 20095785 VYUUPQBMZGWNOD-UHFFFAOYSA-N 417.465 3.465 0 40 HGAB COc1ccc(C2=CCN(C(=O)CCn3cnc4c(C)cccc4c3=O)CC2)cc1 40122420 SDCCGNHQWMXDEZ-UHFFFAOYSA-N 403.482 3.420 0 40 HGAB CC(=O)N1CCN(C(=O)[C@@](C)(Cc2nc3ccccc3s2)c2ccccc2)CC1 30822245 YUWVCHFFCJNLTM-QHCPKHFHSA-N 407.539 3.487 0 40 HGAB COc1ccccc1NC(=S)N(CCO)Cc1cc2cc(C)cc(C)c2[nH]c1=O 875473 AMGLNGAEEIWJOU-UHFFFAOYSA-N 411.527 3.345 0 40 HGAB CCc1ccc2[nH]c(=O)c(CN(Cc3cccnc3)C(=S)NCCCOC)cc2c1 4127284 ODWXENIFMITWTH-UHFFFAOYSA-N 424.570 3.399 0 40 HGAB CCOc1ccc(NC(=O)CCC2CCCCC2)cc1S(=O)(=O)N1CCOCC1 6988744 FJOISSDRBIAXBA-UHFFFAOYSA-N 424.563 3.405 0 40 HGAB COc1cc(NS(=O)(=O)c2cc(C(=O)O)sc2Br)cc(OC)c1 32586193 LBNRDSQRBPZWQG-UHFFFAOYSA-N 422.278 3.027 0 40 HGAB CCc1ccc(NC(=O)COc2ccc(C(=S)N3CCOCC3)cc2OC)cc1 8086132 FBXXZZSDKVZZPH-UHFFFAOYSA-N 414.527 3.283 0 40 HGAB C[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)c1ccc(F)cc1 8303264 MZTMSWOFHKNOKR-GDBMZVCRSA-N 408.470 3.243 0 40 HGAB COC(=O)c1cccc(S(=O)(=O)NCc2ccc(CN3CCC(C)CC3)cc2)c1 32771346 ZCKRAPVAAFORHW-UHFFFAOYSA-N 416.543 3.184 0 40 HGAB Cc1cc(NC(=O)COC(=O)c2ccc3c(c2)C[C@H](c2ccccc2)OC3=O)no1 21543433 DKBMFQVQLOHOAC-GOSISDBHSA-N 406.394 3.233 0 40 HGAB COC(=O)COc1ccc(S(=O)(=O)NC(c2ccccc2)c2ccccc2)cc1 52411986 PTUMGALFBLCPHG-UHFFFAOYSA-N 411.479 3.306 0 40 HGAB CCOc1ccc(Br)cc1S(=O)(=O)N1CCC(N(CC)CC)CC1 55262738 PFXFGPVTEBBDEA-UHFFFAOYSA-N 419.385 3.343 0 40 HGAB NC(=O)CCc1nnc(SCc2cc(Cl)c3c(c2)OCCCO3)n1C1CC1 32895034 DDIMUVDWWVWQSH-UHFFFAOYSA-N 408.911 3.138 0 40 HGAB Cc1ccc2c(C)c(CCC(=O)OCc3cc(=O)n4ccc(C)cc4n3)c(=O)oc2c1 17266170 GYNWZWRMDQGGEC-UHFFFAOYSA-N 418.449 3.402 0 40 HGAB Cc1ccccc1NC(=O)COC(=O)c1ccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1 8410674 PXOAQXGMWJZMOH-RTBURBONSA-N 418.449 3.246 0 40 HGAB CC1=CC[C@H]2C(=O)N(c3cccc(C(=O)Nc4cccc(C(=O)O)c4)c3)C(=O)[C@H]2C1 8472472 MURAMHVSNUFCMY-MOPGFXCFSA-N 404.422 3.483 0 40 HGAB COc1ccc([C@@H](NC(=O)Cc2c(C)nc(-c3ccncc3)[nH]c2=O)C(C)C)cc1 56326841 NGOYDCHMFWJASJ-NRFANRHFSA-N 406.486 3.205 0 40 HGAB O=C(N[C@H]1CCCC[C@@H]1N1C(=O)CSC1=O)c1cc(=O)c2cc(Cl)ccc2o1 28284138 JGTMYBZPWUTASX-STQMWFEESA-N 420.874 3.183 0 40 HGAB CCOc1cccc(CNC(=O)COc2ccc(I)cc2)c1 57669850 KANLYGYXWHYQSY-UHFFFAOYSA-N 411.239 3.385 0 40 HGAB CC1CCN([C@@H](CNC(=O)[C@H]2CCCN(c3cnccn3)C2)c2cccs2)CC1 29754324 FZIWYLRRDCLRKB-OALUTQOASA-N 413.591 3.344 0 40 HGAB CCOC(=O)[C@@H]1C(=O)[C@H](C(=O)OCC)[C@H]2c3ccccc3-c3ccccc3[C@H]1N2C 104100718 ZQGFVKUARQIOBY-PLACYPQZSA-N 407.466 3.323 0 40 HGAB O=C(Cn1c2c(c(=O)n(C3CCCCC3)c1=O)CCC2)Nc1ccc(Cl)cc1 23216101 SWXIBHMBDHLOGR-UHFFFAOYSA-N 401.894 3.296 0 40 HGAB COc1cccc(N2CCN([C@H]3CC(=O)N(c4ccc(C)c(Cl)c4)C3=O)CC2)c1 986374 ARKHFMQWNSLVGD-FQEVSTJZSA-N 413.905 3.111 0 40 HGAB O=C(CN(C[C@H]1CCOC1)C1CC1)NC[C@@H](c1ccccc1Cl)N1CCCC1 106075428 CXIZJYGEFJRNDW-UTKZUKDTSA-N 405.970 3.094 0 40 HGAB O=C(Cn1cnc2sccc2c1=O)N1CCC(c2nc3ccccc3s2)CC1 8395229 MVUUOGALYLWLOH-UHFFFAOYSA-N 410.524 3.474 0 40 HGAB CCCCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)OCCN2Cc2ccccc2)cc1 54672201 UXPFNCBVKQHRSD-OAQYLSRUSA-N 424.497 3.400 0 40 HGAB COc1cccc(-n2ccnc2S[C@H](C)C(=O)Nc2sccc2C(N)=O)c1 12520198 AHDTUVRARSSRDT-LLVKDONJSA-N 402.501 3.161 0 40 HGAB C[C@H](OC(=O)c1sc2ccccc2c1Cl)C(=O)Nc1ncnc2nc[nH]c12 26245126 GHKMURYEACMUNN-QMMMGPOBSA-N 401.835 3.405 0 40 HGAB CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)CN1CCN(C)CC1 20449529 VKQIWIFQIGJHKJ-UHFFFAOYSA-N 401.532 3.086 0 40 HGAB COc1ccc(-c2nn3cnnc3s2)cc1NC(=O)COc1cccc(C)c1C 10119970 ULTQRJNYBGKYOV-UHFFFAOYSA-N 409.471 3.496 0 40 HGAB COC(=O)[C@@H](CCSC)NC(=O)c1cc(-c2ccc(OC)c(OC)c2)oc1C 10127493 GAEKHYLDFQGQFS-OAHLLOKOSA-N 407.488 3.297 0 40 HGAB CC1(C)Cc2cccc(OCCNC(=O)C3CCN(C(=O)c4ccco4)CC3)c2O1 24450012 LBEIJJNIHFTVPD-UHFFFAOYSA-N 412.486 3.041 0 40 HGAB COc1cccc(OC)c1C(=O)OCc1nc2sc3c(c2c(=O)[nH]1)CC[C@H](C)C3 3305706 WDHIPCSPVIFCNI-NSHDSACASA-N 414.483 3.484 0 40 HGAB C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)O[C@H](C)c3ccccc3)cc2)C[C@@H](C)O1 12737549 PDXHVQOLGUTOIG-BRWVUGGUSA-N 403.500 3.403 0 40 HGAB Cn1nnnc1-c1cccc(NC(=O)[C@H]2CC(=O)N(c3cccc4ccccc34)C2)c1 12734366 YEFKHAYYCCEDAS-KRWDZBQOSA-N 412.453 3.022 0 40 HGAB COC(=O)c1ccc2c(O)nc(CN3CCC[C@H]3c3ccc(OC)cc3OC)nc2c1 12740897 GNCZMKDAMRPSDN-IBGZPJMESA-N 423.469 3.476 0 40 HGAB CCc1ccccc1NC(=O)CN(C)C(=O)Cn1c(S)nnc1-c1ccc(C)cc1 12992166 JLRIKUWQKHJQTI-UHFFFAOYSA-N 423.542 3.202 0 40 HGAB CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(s/c(=C\c3cccc(C)c3)c2=O)=N1 409043139 ZSBPZKOCJUQDNZ-LUDQZLGDSA-N 418.518 3.107 0 40 HGAB COc1ccccc1Nc1nc(N)nc(COC(=O)C2(c3ccccc3)CCC2)n1 8545497 IMYPPQMOZREXPC-UHFFFAOYSA-N 405.458 3.371 0 40 HGAB COc1ccc(NC(=O)Cn2cnc3c(oc4nc5c(cc43)CCCC5)c2=O)cc1 13207239 AZYYUQMFYNDCEC-UHFFFAOYSA-N 404.426 3.064 0 40 HGAB O=C(Nc1nnc(COc2ccccc2)s1)[C@H]1CC(=O)N(Cc2ccccc2)C1 49550918 NUWOJXMXRWKQTO-INIZCTEOSA-N 408.483 3.104 0 40 HGAB COc1cccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3cccc(C)c3)[C@H]2c2ccccc2)c1 409058910 ZKIXRYUOJCKGJP-HFXBMHRVSA-O 414.485 3.020 0 40 HGAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)NC[C@H]3CCCO3)ccc2C)cc1C 409411174 FCPYRBUAFXMHFL-LJQANCHMSA-N 402.516 3.321 0 40 HGAB COc1ccc(C2(c3nc(-c4ccc(S(C)(=O)=O)cc4)no3)CCOCC2)cc1 69979665 FPHYKZVIJSNPIZ-UHFFFAOYSA-N 414.483 3.245 0 40 HGAB C[C@H](Nc1ccc(NC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)cc1)c1ccccc1 65489957 MMCQMMDZJPSPKW-INIZCTEOSA-N 422.510 3.296 0 40 HGAB COc1cccc(-c2nnn(CC(=O)N[C@@H](c3ccccc3)c3cccs3)n2)c1 14094830 GTHLKCXBKASURD-FQEVSTJZSA-N 405.483 3.316 0 40 HGAB COCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@H]1c1ccc(OC)c(OC)c1 5339890 CYCYBAQVPDJTTI-JOCHJYFZSA-N 423.469 3.381 0 40 HGAB C[C@@]1(c2ccccc2Br)NC(=O)N(CN2CCc3ccccc3C2)C1=O 14255289 RFNVUXMPHHEGBJ-FQEVSTJZSA-N 414.303 3.232 0 40 HGAB Cc1ccc(NC(=O)CSc2nc(C)c(C)n2C2CCCC2)cc1S(N)(=O)=O 8724987 FFVNOSZAXKSQIS-UHFFFAOYSA-N 422.576 3.302 0 40 HGAB Cc1cccc(-n2c(=O)c3sccc3n(CC(=O)NCc3ccccc3)c2=O)c1C 67218295 MTPGDVAZIPEZDI-UHFFFAOYSA-N 419.506 3.147 0 40 HGAB O=C(COC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1)Nc1cccc(F)c1 9055342 IQOCREWINURVDT-UHFFFAOYSA-N 418.380 3.422 0 40 HGAB CCOc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2C)cc1OC 8039580 MALHPAUQQBZYNA-UHFFFAOYSA-N 418.515 3.439 0 40 HGAB COc1ccccc1C(=O)Nc1nc(-c2nnn(-c3cccc(F)c3)c2C)ns1 9638888 ODRMPFRVXLGXTA-UHFFFAOYSA-N 410.434 3.494 0 40 HGAB Cc1ccc(-n2cnnc2SCC(=O)Nc2cn(C)nc2-c2ccncc2)cc1 78963731 JVJCKTWENRDRNR-UHFFFAOYSA-N 405.487 3.102 0 40 HGAB C[C@H](CNC(=O)c1nnn(-c2ccc(Br)cc2)c1N)c1ccccc1 9575537 KJKOIOOIMDVQKD-GFCCVEGCSA-N 400.280 3.146 0 40 HGAB CCc1c(C(=O)Nc2ccc(C(=O)OC)cc2)nnn1-c1ccc(OC(F)F)cc1 19911074 ZTSWJHWWTXBUEU-UHFFFAOYSA-N 416.384 3.470 0 40 HGAB CCN(CC(F)(F)F)C(=O)[C@H]1CCCN([C@@H](C)C(=O)NCc2ccc(C)cc2)C1 72304915 YAYOMZWHQGTVCH-WMZOPIPTSA-N 413.484 3.123 0 40 HGAB CC(C)(C)c1ccc(C(=O)NCCC(=O)N2CCN(Cc3cccc(O)c3)CC2)cc1 95393803 QRJJFDFKSVPFCH-UHFFFAOYSA-N 423.557 3.154 0 40 HGAB COc1ccc(S(=O)(=O)N(CC(=O)NC(C)(C)C)c2cccc(Cl)c2)cc1 113937915 JBQFJCFLYVCMGP-UHFFFAOYSA-N 410.923 3.459 0 40 HGAB COCCNC(=O)CNC(=O)c1oc2ccccc2c1CSC1CCCCC1 9953848 IKUMBQDQCVOSOV-UHFFFAOYSA-N 404.532 3.491 0 40 HGAB Cc1ccc(C(=O)NC[C@@H]2CC[C@]3(COCCN(Cc4cccs4)C3)O2)cc1 306137490 QXRIRPBAVVWQMS-UGKGYDQZSA-N 400.544 3.237 0 40 HGAB COc1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2OC)cc1F 22897350 SIDCYTVCAVAVNN-UHFFFAOYSA-N 422.478 3.270 0 40 HGAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccccc3)C2)cc1C 408558613 SDWUESSIDZCMOI-LJQANCHMSA-N 416.543 3.111 0 40 HGAB O=C(c1ccc(N2C(=O)c3nc4ccccc4nc3C2=O)cc1)N1CCCCCC1 408977118 UHAKWNXFSMHFCO-UHFFFAOYSA-N 400.438 3.447 0 40 HGAB O=C(NC(=S)Nc1nc2ccc(N3CCOCC3)cc2s1)c1cccc(F)c1 32127624 ILXGFEMIAKPTFA-UHFFFAOYSA-N 416.503 3.399 0 40 HGAB COc1ccc(-c2nn3c(=O)cc(CNC(=O)Nc4ccc(C)cc4)nc3s2)cc1 32996060 CZYSWTYZWWTQEC-UHFFFAOYSA-N 421.482 3.457 0 40 HGAB CCn1c(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)nc2ccccc21 30683264 NPMUGKVUFFGNIW-INIZCTEOSA-N 412.515 3.096 0 40 HGAB O=C(CC1(Cn2cnnn2)CCCCC1)N1CCC(O)(c2ccc(Cl)cc2)CC1 36358712 AFHWKLHKXJBBTQ-UHFFFAOYSA-N 417.941 3.177 0 40 HGAB COC(=O)CN1C(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(OC)cc1 409057419 PRLZRRCSORDFAB-BOPFTXTBSA-N 416.886 3.496 0 40 HGAB CCOc1ccccc1NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(OC)c(Cl)c1 408557258 GBLMASUSASTDND-GFCCVEGCSA-N 412.895 3.053 0 40 HGAB Cc1ccc(S(=O)(=O)N(C)CC(=O)NCCCc2cccc(OC(C)C)c2)cc1 219011644 GIHHPYPRQJTPCY-UHFFFAOYSA-N 418.559 3.152 0 40 HGAB COc1ccc(CNC(=O)Cn2ccc3ccn(Cc4ccccc4C)c3c2=O)cc1 62007355 OZWAQAQIMXQEEW-UHFFFAOYSA-N 415.493 3.485 0 40 HGAB C[C@H](NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1)c1ccc2c(c1)CCC2 223230263 QXIAKKIQELEEBM-AWEZNQCLSA-N 406.935 3.327 0 40 HGAB C[C@H]1C[C@H](C)CN(c2cc(C(F)(F)F)nc(NC(=S)NC[C@@H]3CCCO3)n2)C1 225910154 LRMACFDQZBIZHG-AVGNSLFASA-N 417.501 3.443 0 40 HGAB COc1ccc(CCNC(=O)Nc2cccc(-c3nnnn3C3CC3)c2)cc1OC 40104389 LNCXIEKYPWIQOW-UHFFFAOYSA-N 408.462 3.056 0 40 HGAB CCN1CCN(C(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)c(Cl)c2)CC1 44905122 KGVPEBYJPKWQFM-UHFFFAOYSA-N 421.950 3.227 0 40 HGAB CCCNS(=O)(=O)c1ccc(OCC(=O)NCc2cccc3ccccc23)cc1 222665194 FEBBJYSQHDGEHT-UHFFFAOYSA-N 412.511 3.223 0 40 HGAB O=C1c2ccccc2C(=O)N1CCc1nn2c(-c3cc4ccccc4o3)nnc2s1 96194041 XZTZMZGMZRFDOV-UHFFFAOYSA-N 415.434 3.438 0 40 HGAB C[C@H](CNC(=O)C1=NO[C@@]2(CCN(C(=O)Nc3ccccc3)C2)C1)c1ccccc1 96225761 HAOZTKDBSILLLB-HXOBKFHXSA-N 406.486 3.359 0 40 HGAB COc1ccc(-c2nn([C@H](C)C(=O)N(C)Cc3cccs3)c(=O)cc2OC)cc1 96101197 LMXPNEILIFYVCS-CQSZACIVSA-N 413.499 3.209 0 40 HGAB O=C(Nc1ccncc1)c1nc2c(s1)CCN(C(=O)NCc1ccccc1)CC2 96146913 YDVCSGXAQUOKJX-UHFFFAOYSA-N 407.499 3.101 0 40 HGAB CC(=O)CC(=O)N[C@H]1CC[C@@H](C[C@H]2CC[C@@H](NC(=O)CC(C)=O)[C@@H](C)C2)C[C@@H]1C 248265506 DLAADOGEGQKDFC-XNRDYXSJSA-N 406.567 3.177 0 40 HGAB COCCN(C)C[C@H]1CO[C@@]2(CCCN(C(=O)c3ccc(-n4cccc4)cc3)C2)C1 247995118 MMBOYRGCCJLLQY-RDPSFJRHSA-N 411.546 3.067 0 40 HGAB CC(=O)c1ccc(NC(=O)c2ccc(N3C(=O)[C@@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2)cc1 253560147 AKZLMULJJAPRPS-ZCLUNYJNSA-N 400.434 3.453 0 40 HGAB COc1ccccc1N(CC(=O)N[C@H]1C[C@H]2CC[C@H]1C2)S(=O)(=O)c1ccccc1 250405819 RWSZNZRXIABBSB-LNLFQRSKSA-N 414.527 3.195 0 40 HGAB O=C(NCCn1nc([C@@H]2CCCN(Cc3ccccc3F)C2)c2cccnc21)C1CC1 257296283 RCBGQMXKHKOPFI-LJQANCHMSA-N 421.520 3.476 0 40 HGAB CCN(CC(=O)N1c2ccccc2C[C@H]1C)S(=O)(=O)c1ccc(OC)c(Cl)c1 260746085 PZXNGODJQSEGDB-CQSZACIVSA-N 422.934 3.337 0 40 HGAB S=C1N[C@H](c2ccccn2)[C@H](c2cccn2-c2ccncc2)N1C[C@H]1CCCO1 260925527 VAWSLDHIIGMQII-UIFIKXQLSA-N 405.527 3.419 0 40 HGAB CCS(=O)(=O)N1CCC[C@H](C(=O)N[C@@H](C)c2cc(C(C)C)c(OC)cc2C)C1 260928672 KJAAMQGGQIEIJX-IRXDYDNUSA-N 410.580 3.366 0 40 HGAB COc1ccc2cc(C(=O)N[C@H](CCSC)C(=O)Nc3nccs3)[nH]c2c1 35686255 WDLFXOTXPHEZRD-CYBMUJFWSA-N 404.517 3.123 0 40 HGAB biogenic Cc1cccnc1Nc1cc(C[C@@H]2CCCN(C(=O)/C=C/c3cnc[nH]3)C2)ncn1 585292284 ZSVOSDUUUKEDMN-LXXRFIIISA-N 403.490 3.141 0 40 HGAB C[C@@H]1CN(C)CC[C@@H]1CCc1ccc(NC(=O)Cc2ccc(-n3cnnn3)cc2)cc1 12182148 TWMURSCRWCSUNG-NQIIRXRSSA-N 418.545 3.364 0 40 HGAB CC(C)c1cc(C(F)(F)F)n2nc([C@H]3CCN(S(=O)(=O)C(C)C)C3)cc2n1 12220435 IPPDWIZPTNFXHW-LBPRGKRZSA-N 404.458 3.399 0 40 HGAB Cc1cccc(C(C)C)c1NC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1 12882391 VIVBLVLDAYNWBE-UHFFFAOYSA-N 422.572 3.382 0 40 HGAB CCOCCCNC(=S)N1CCC(NC(=O)C23CC4CC(CC(C4)C2)C3)CC1 13555734 YHAPKVYJSALZLQ-UHFFFAOYSA-N 407.624 3.085 0 40 HGAB CC(C)COC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OCC(C)C)[C@@H]1c1ccccc1 13582666 BRGRVHJIWQXPQK-UGTOYMOASA-N 404.503 3.125 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCC[C@@H]2CC(=O)NCc2cccs2)cc1 15391121 ZNUUMPYWEMNBEW-OAHLLOKOSA-N 408.545 3.006 0 40 HGAB Cc1ccc(S(=O)(=O)Cc2csc(NC(=O)C[C@@H](C)n3cccn3)n2)cc1 19211139 CLMGVHPQRYAKBT-CQSZACIVSA-N 404.517 3.212 0 40 HGAB O=C(NC[C@@H]1CCCO1)[C@@H]1CN(Cc2ccccc2)C[C@H]1C(=O)c1ccc(F)cc1 19372542 PLUMZEBNFWECHX-BHDDXSALSA-N 410.489 3.052 0 40 HGAB O=C(COC[C@H]1COc2ccccc2O1)N1CCc2onc(-c3cccc(F)c3)c2C1 19375751 SIFCNHJWJIMRJS-KRWDZBQOSA-N 424.428 3.222 0 40 HGAB C[C@H]1C[C@H](C)CN(C(=O)CN2C(=O)COc3ccc(C(=O)c4cccs4)cc32)C1 12239322 FJYULSXMAVBYIA-GJZGRUSLSA-N 412.511 3.209 0 40 HGAB CCCSc1ncc(CN2CCC[C@@H](c3ncccc3S(C)(=O)=O)C2)cn1 19525208 QFSQXUSQMKXHKB-MRXNPFEDSA-N 406.577 3.157 0 40 HGAB C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)N(C)Cc1ccc(F)cc1 6786851 TYZBRDJWHVWPTI-INIZCTEOSA-N 419.522 3.069 0 40 HGAB COc1cc(-c2nnc(SCC(=O)N3CCC[C@@H](C)C3)o2)cc(OC)c1OC 2720416 WHBQUZNGKYXOSA-GFCCVEGCSA-N 407.492 3.113 0 40 HGAB COc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccco1)N1CCc2ccccc21 4305316 GCBWZGKCVZUGNR-IBGZPJMESA-N 405.454 3.147 0 40 HGAB COc1cccc(CNC(=O)CSc2nnc3ccc(-c4cccs4)nn23)c1 5168306 LICNLFAUNJPEHT-UHFFFAOYSA-N 411.512 3.270 0 40 HGAB CCCCN1C(SCC(=O)N2CCC(C)CC2)=NS(=O)(=O)c2ccccc21 7572317 JXTODROFBPYNRL-UHFFFAOYSA-N 409.577 3.343 0 40 HGAB CCc1ccc(NC(=O)CS(=O)(=O)c2ncc(-c3ccc(OC)cc3)n2C)cc1 9828774 ZRUNTMVGIULSCM-UHFFFAOYSA-N 413.499 3.071 0 40 HGAB Cc1ccc(C)c(N2CCn3c2nc2c3c(=O)n(Cc3ccccc3C)c(=O)n2C)c1 10104768 XTGLMPZZEBINBH-UHFFFAOYSA-N 415.497 3.022 0 40 HGAB CCCc1nnc(-c2cc3ccccc3n2CC(=O)Nc2ccc(C(N)=O)cc2)o1 15881469 BEZHCKRKJPLDPJ-UHFFFAOYSA-N 403.442 3.381 0 40 HGAB COC(=O)[C@@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)c1nc2ccccc2s1 206795989 DBWMUPCLPANOOU-DOMZBBRYSA-N 400.431 3.271 0 40 HGAB COC(=O)c1sccc1S(=O)(=O)NC[C@@H](c1csc2ccccc12)N(C)C 575621425 OEDZZAKGIXBTCD-AWEZNQCLSA-N 424.569 3.331 0 40 HGAB COc1ccc(Cl)cc1NC(=O)[C@@H]1CC(=O)N(c2ccc(OC)c(OC)c2)C1 28193092 ZUFTWDHSLBUJBR-GFCCVEGCSA-N 404.850 3.357 0 40 HGAB CCn1c(SCC(=O)NCCc2cn3ccccc3n2)nnc1-c1cccc(C)c1 40039642 ILFJUYCEACXCID-UHFFFAOYSA-N 420.542 3.372 0 40 HGAB COC(=O)c1ccccc1NC(=O)CSc1nnc(-c2ccccc2OC)n1C 899398 RNQHOPLBZPQTBD-UHFFFAOYSA-N 412.471 3.008 0 40 HGAB O=C(O)[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2cccc(I)c2)N1 3173951 PUGCTTMHYQKTNT-CVEARBPZSA-N 418.234 3.461 0 40 HGAB Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(Br)c(C)c2)cc1 3573565 DTNUULLWCRBNAS-UHFFFAOYSA-N 411.321 3.325 0 40 HGAB O=C(O)CCCC(=O)N1C[C@@H]2C[C@H](C1)c1ccc(-c3ccc(Cl)cc3)c(=O)n1C2 4237122 WVQNNMBDGGWDJT-GOEBONIOSA-N 414.889 3.369 0 40 HGAB biogenic,in-vitro COc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N3CCCCC3)c2)c(OC)c1 7360384 TVWZOOSLICBSMY-UHFFFAOYSA-N 418.515 3.439 0 40 HGAB Cc1cc(NC(=O)[C@@H](C)N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc(C)c1Br 102088175 OMNLLCIIGKQJNP-GADBESIXSA-N 417.303 3.200 0 40 HGAB O=C(Cn1nnc(-c2ccc(F)cc2)n1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 32719090 SDHFOIVSBSIQGY-SFHVURJKSA-N 423.448 3.004 0 40 HGAB CN(CC(=O)NCc1ccccc1Cl)S(=O)(=O)c1ccc2ccccc2c1 8304065 XZGNDPVHHQCDCK-UHFFFAOYSA-N 402.903 3.430 0 40 HGAB CN(C[C@@H]1COc2ccccc2O1)S(=O)(=O)c1ccccc1OC(F)(F)F 32895555 BUAUVEMLRACVLK-GFCCVEGCSA-N 403.378 3.046 0 40 HGAB O=C(NCCCNC(=O)N1CCC(CN2CCCCCC2)CC1)c1ccccc1F 58173973 CGPIWVUELCZDHY-UHFFFAOYSA-N 418.557 3.243 0 40 HGAB CC(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@H](c2ccccc2)N(C)C)c1 33028906 XLMIKBBKDPILFR-LJQANCHMSA-N 423.966 3.059 0 40 HGAB CCc1nc2ccc(C(=O)N(C)Cc3nc4ccsc4c(=O)[nH]3)cc2nc1CC 22321743 TVEFIYOWFLGYQG-UHFFFAOYSA-N 407.499 3.325 0 40 HGAB CC(C)NC(=O)CSC1=Nc2c(cnn2-c2cccc(Cl)c2)C2=NCCCN12 12322549 HCCJVMLMKVDGCW-UHFFFAOYSA-N 416.938 3.237 0 40 HGAB Cc1nnc(NC(=O)CN2CCN(C(c3ccccc3)c3ccccc3)CC2)s1 22580362 MUBGMMLPDKUKRU-UHFFFAOYSA-N 407.543 3.192 0 40 HGAB CC(C)Cc1csc2c1c(=O)n(C)c(=O)n2CC(=O)Nc1ccc(Cl)cc1 12322701 PUYKFZLOKUZNCT-UHFFFAOYSA-N 405.907 3.252 0 40 HGAB Cc1noc(COC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccc(F)cc2)n1 22742088 ZDEBKJPFSIITQF-IBGZPJMESA-N 422.416 3.083 0 40 HGAB CCOc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(OC)cc3)[nH]n2)CC1 51315748 UXUYWBRDMLWXQU-UHFFFAOYSA-N 406.486 3.446 0 40 HGAB CN1CCN([C@H](CNC(=O)c2cc(-c3ccc(Cl)cc3)on2)c2ccco2)CC1 22938350 BZHROFVIGRQNMB-GOSISDBHSA-N 414.893 3.307 0 40 HGAB Cc1nn(-c2nc3ccccc3[nH]2)c(O)c1[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1=O 100069093 IJKMHKFEESUUPS-AWEZNQCLSA-N 421.844 3.463 0 40 HGAB COC(=O)c1ccc([C@@H]2SC[C@H]3C(=O)N(c4ccc(F)cc4)C(=S)N23)cc1 1443715 MXCCWLLEKAKIBA-RDJZCZTQSA-N 402.472 3.360 0 40 HGAB Cc1cc(N2C(=O)[C@H]3[C@@H]4CC[C@H](O4)[C@@H]3C2=O)nn1Cc1ccc(Cl)cc1Cl 102014455 VNQCGRGVWMGPII-OTRWWLKZSA-N 406.269 3.213 0 40 HGAB O=C(Cc1c[nH]c2ccccc12)N1CCN(C(=O)c2cccc(OC(F)F)c2)CC1 25713966 FJMIDRJNNZWNMD-UHFFFAOYSA-N 413.424 3.296 0 40 HGAB O=C(Cc1coc(-c2ccccc2)n1)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 26414328 ZJISHSYFBZOCED-SFHVURJKSA-N 405.454 3.432 0 40 HGAB COc1ccccc1NC(=O)Cn1c(=O)n(-c2cccc(C)c2)c(=O)c2sccc21 57489955 ZHESZJBRUYWWTE-UHFFFAOYSA-N 421.478 3.170 0 40 HGAB O=C(NCCCc1ccccc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 23683965 ISVPZQUULTXDRB-GOSISDBHSA-N 420.962 3.490 0 40 HGAB Cc1ccc([C@H](CNC(=O)c2cc(-c3ccccc3)on2)N2CCN(C)CC2)cc1 28296056 OQLPJCBZXXJACO-QFIPXVFZSA-N 404.514 3.369 0 40 HGAB O=C(NCC1(c2ccc(F)cc2)CC1)C1CCN(C(=O)COc2ccccc2)CC1 57985045 CCSGQQXEAQTMNN-UHFFFAOYSA-N 410.489 3.291 0 40 HGAB C[C@H](OC(=O)[C@@]12CCC(=O)N1c1ccccc1S2)C(=O)Nc1ccc(Cl)cn1 12789759 LJBDXADRBVTVMS-WLRWDXFRSA-N 417.874 3.234 0 40 HGAB Cc1cccc(N(C)S(=O)(=O)c2nnc(NC(=O)c3ccccc3F)s2)c1 20902175 PLRKWIWBBKFTBY-UHFFFAOYSA-N 406.464 3.063 0 40 HGAB COc1cccc(/C=C/C(=O)Nc2cccc(-n3cnnn3)c2C)c1OC(F)F 12733660 VAQCIPKGMUGPBD-MDZDMXLPSA-N 401.373 3.233 0 40 HGAB Cc1cc(=O)c(C(=O)N[C@H](C)c2ccc3c(c2)CCC(=O)N3)nn1-c1ccccc1F 58413248 GZSLBRIMGMPNLT-CQSZACIVSA-N 420.444 3.056 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1cccc(OC(C)C)c1 408702215 LPKQJIRCBAHNFG-UHFFFAOYSA-N 418.515 3.055 0 40 HGAB O=C(O)[C@@H]1CCCN(C(=O)COc2ccc3c(-c4ccccc4)cc(=O)oc3c2)C1 12896603 AERPIHMEUNXTLY-MRXNPFEDSA-N 407.422 3.162 0 40 HGAB biogenic CCCn1c(=O)c2ccccc2n2c(SCC(=O)N(C)c3ccccc3)nnc12 3449826 BLKNUFLOJIXDSZ-UHFFFAOYSA-N 407.499 3.209 0 40 HGAB C[C@@H](CCc1ccccc1)NC(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O 408623662 YNQMDZQHSDXRKJ-AWEZNQCLSA-N 412.914 3.383 0 40 HGAB CCc1ccc(C(=O)Nc2cccc(Cl)c2)cc1S(=O)(=O)N1CCOCC1 12989570 VVYNVEWRNMRUOW-UHFFFAOYSA-N 408.907 3.176 0 40 HGAB COc1cc(N2C[C@H](C(=O)Nc3cc(F)ccc3C)CC2=O)cc(OC)c1OC 12980623 JAFFAZDSVKUCMQ-CYBMUJFWSA-N 402.422 3.152 0 40 HGAB CC(C)[C@H](CNC(=O)c1cccc(NC(=O)c2cccs2)c1)N1CCOCC1 12936001 IJWYTXKCCKHQIB-SFHVURJKSA-N 401.532 3.087 0 40 HGAB O=C(Oc1ccc2c(c1)OCO2)c1cccc(S(=O)(=O)N2CCCCCC2)c1 3552314 RLKMPBCULICYHJ-UHFFFAOYSA-N 403.456 3.199 0 40 HGAB O=C(/C=C/c1ccccc1)Nc1nnc(S(=O)(=O)Cc2ccccc2F)s1 13628048 VDQJQBFICVRONM-ZHACJKMWSA-N 403.460 3.303 0 40 HGAB CCOc1ccc(C(=O)Nc2c(F)cccc2F)cc1S(=O)(=O)N1CCCC1 408696850 FHXNTTLTCNPCBF-UHFFFAOYSA-N 410.442 3.400 0 40 HGAB O=S(=O)(c1ccc(F)cc1)N1CCCN(Cc2cc(-c3ccccc3)on2)CC1 14019720 NKWUONKEINOKFQ-UHFFFAOYSA-N 415.490 3.377 0 40 HGAB C[C@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccccc1S(=O)(=O)N(C)C 14199545 GELXGMFQPYCACU-ZDUSSCGKSA-N 412.964 3.387 0 40 HGAB COc1ccc(CCC2CCN(CN3C(=O)C(=O)N(C4CCCC4)C3=O)CC2)cc1 14184736 PCBZIESRNADSCR-UHFFFAOYSA-N 413.518 3.031 0 40 HGAB O=C1C(=O)N(C2CCCC2)C(=O)N1CCOc1ccc(Cl)cc1Br 14241930 XLAFOFYXRLAQLM-UHFFFAOYSA-N 415.671 3.215 0 40 HGAB CS(=O)(=O)c1ccc(NC(=O)COc2ccc(C(=O)c3ccccc3)cc2)cc1 6602378 CGNBXUAACUSWEO-UHFFFAOYSA-N 409.463 3.339 0 40 HGAB CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)CC(=O)Nc1ccc(F)c(Cl)c1 6862446 UGASGRKDEMMREQ-UHFFFAOYSA-N 420.872 3.337 0 40 HGAB Cc1cccc(N2CCN3c4ccccc4CC4(C(=O)OC(C)(C)OC4=O)[C@@H]3C2)c1C 4914133 DPKHIZVWJFFYTG-NRFANRHFSA-N 420.509 3.377 0 40 HGAB COc1ccc(S(=O)(=O)N(CC(=O)NC(C)(C)C)c2ccc(C)cc2)cc1OC 4974037 BZKLNYROKKIAMA-UHFFFAOYSA-N 420.531 3.122 0 40 HGAB Cc1cc2nc(SCC(=O)N3CCc4ccccc43)n(Cc3ccco3)c(=O)c2[nH]1 67236525 VDHYHWYXJNKVNJ-UHFFFAOYSA-N 420.494 3.356 0 40 HGAB O=S(=O)(c1ccc(Cl)cc1)c1nnn2c1nc(N1CCCC1)c1sccc12 67264187 WJIVCAPKRJSMPN-UHFFFAOYSA-N 419.919 3.425 0 40 HGAB CC/C(Nc1ccc(OC)cc1OC)=C1/C(=O)NC(=O)N(c2ccccc2C)C1=O 9089850 BHGYQDSMUFBYGZ-XDJHFCHBSA-N 409.442 3.371 0 40 HGAB COc1ccc(OC)c(C2=NO[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C(=O)c2ccco2)c1 9043551 TWQSYBDEUGQNEV-WMZHIEFXSA-N 418.405 3.378 0 40 HGAB O=C(CSc1nnc(NC[C@H]2CCCO2)s1)N[C@@H]1CCCc2ccccc21 8157047 IIDNIYNCVDJUSV-GDBMZVCRSA-N 404.561 3.415 0 40 HGAB Cn1c(SCC(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)nnc1C1CC1 9536034 IMXKVXSCVBOHKK-UHFFFAOYSA-N 423.424 3.023 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)CCC(=O)c2cccs2)c1 9884171 PVRCAUFDHPBCSF-UHFFFAOYSA-N 424.544 3.389 0 40 HGAB COCc1nc(N2CCN(c3ccc(Cl)cc3)CC2)[nH]c(=O)c1CCC(C)C 22448881 BYXIDXWJFPKZFY-UHFFFAOYSA-N 404.942 3.485 0 40 HGAB Cc1nc(SCc2ccccc2F)[nH]c(=O)c1CC(=O)NCc1cccs1 23138604 FQKVQLQFBSENRU-UHFFFAOYSA-N 403.504 3.430 0 40 HGAB CN(Cc1ccccc1F)C(=O)C[C@H](NC(N)=O)c1ccc(Br)cc1 36391090 VSHUVBTZYTZZLA-INIZCTEOSA-N 408.271 3.346 0 40 HGAB O=C(CSc1nnc2c(n1)[nH]c1ccc(Br)cc12)NCc1ccco1 35312620 PHJOEUVOVONKLG-UHFFFAOYSA-N 418.276 3.270 0 40 HGAB COc1ccc(CN2CCN(C(=O)c3cc(C4CC4)nc4c3c(C)nn4C)CC2)cc1 36615839 MESXJIFERCPFPC-UHFFFAOYSA-N 419.529 3.121 0 40 HGAB Cn1ccnc1C(=O)c1ccc(NC(=O)[C@@H]2CCCCN2C(=O)c2cccs2)cc1 32905860 QGMWLKMOZZQDRY-KRWDZBQOSA-N 422.510 3.346 0 40 HGAB Cc1ccccc1CNC(=O)CCn1ccn2nc(-c3ccc(F)cc3)cc2c1=O 67261142 DXLHCOBYLVFUQR-UHFFFAOYSA-N 404.445 3.317 0 40 HGAB CC(=O)Nc1ccc(S(=O)(=O)N[C@H](C(=O)Nc2ccccc2)c2ccccc2)cc1 32932929 NVSHICWXNXZWQX-NRFANRHFSA-N 423.494 3.303 0 40 HGAB CCOCC(=O)Nc1cc(-c2nc(-c3ccc(OC)c(OC)c3)cs2)nn1C 35683137 NWKHLBQLQNEERP-UHFFFAOYSA-N 402.476 3.203 0 40 HGAB COc1cc(CNC(=O)CCc2c(C)nc(SC)nc2C)cc(OC)c1OC 8361761 NMRKVDGSAVPZSE-UHFFFAOYSA-N 405.520 3.090 0 40 HGAB CCNC(=O)c1cc(S(=O)(=O)N[C@H](C)c2cc(C)c(C)cc2C)ccc1OC 223448844 KBKCVSDSWGYLMN-MRXNPFEDSA-N 404.532 3.410 0 40 HGAB CCc1ccc([C@H](C)NC(=O)[C@@H](C)N(c2cccc(OC)c2)S(C)(=O)=O)cc1 225817477 XVEXZWHFRZUXTQ-JKSUJKDBSA-N 404.532 3.290 0 40 HGAB CCc1ccccc1N(CCCC(=O)NCCOCc1ccccc1)S(C)(=O)=O 224660931 ZMNJZYQASLXABD-UHFFFAOYSA-N 418.559 3.128 0 40 HGAB CC(C)(Cc1ccccc1)NC(=O)CN(Cc1ccccc1Cl)S(C)(=O)=O 225301542 XHTVAHHXRCGDFY-UHFFFAOYSA-N 408.951 3.239 0 40 HGAB COc1ccc2c(c1)CCC[C@]2(O)CNS(=O)(=O)c1cccc(C(F)(F)F)c1 225712567 DGNRTNWJTAAIRM-SFHVURJKSA-N 415.433 3.216 0 40 HGAB COC(=O)c1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCO)o2)cc1 223601362 BYWBINNCJHLXOD-PMACEKPBSA-N 423.494 3.093 0 40 HGAB CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCc1ccc(Cl)cc1 225095483 XPHWWCZJOLCRJK-IBGZPJMESA-N 424.950 3.252 0 40 HGAB COc1ccc(S(=O)(=O)N(C)c2cc(C(=O)NCc3ccco3)ccc2C)cc1 224323828 XSURBJYWPRSWHV-UHFFFAOYSA-N 414.483 3.352 0 40 HGAB CCc1ccc(NC(=O)N2CC[C@@]3(C2)CN(c2cccc(F)c2)C(=O)CN3C)cc1 96237972 BKJZZIYSPPPYCQ-HSZRJFAPSA-N 410.493 3.343 0 40 HGAB CC(=O)N[C@H]1CC2(CCN(C(=O)Cc3ccc(N(C)C)cc3)CC2)Oc2ccccc21 96156915 JUUBSSRQPHAHMC-QFIPXVFZSA-N 421.541 3.316 0 40 HGAB O=C(C[C@H]1CC2(CCN(Cc3ccccn3)CC2)c2ccccc21)N1CCOCC1 96052816 QTVFLOQYCBZKDN-FQEVSTJZSA-N 405.542 3.352 0 40 HGAB Cc1ccc(CC(=O)N2CC[C@]3(CC[C@H](C(=O)Nc4cccnc4)O3)[C@H](C)C2)cc1 96261070 PTIHIDJQLUQKFD-MEKIYTOJSA-N 407.514 3.357 0 40 HGAB COc1ccccc1N1CN(Cc2ccc3c(c2)OCO3)Cn2c1nc(C)c(C)c2=O 95481447 GSKXXAGAUALLJJ-UHFFFAOYSA-N 420.469 3.166 0 40 HGAB COc1cc(C(=O)N(C)CC(=O)O)cc2c1O[C@@](C)(Cc1ccc(Cl)cc1)C2 257296000 RAUNLANGFQLIQR-NRFANRHFSA-N 403.862 3.442 0 40 HGAB CO[C@H]1CC[C@H](C(=O)NC[C@H]2CC[C@H](c3nnc(-c4cnc(C)cn4)o3)CC2)CC1 257307367 SYHZYGWECQDALG-OPMHRUBESA-N 413.522 3.430 0 40 HGAB Cc1c(C)c(C)c(S(=O)(=O)NC[C@@H](O)c2ccc3c(c2)CCN3C)c(C)c1C 96362765 ZSIITVDNOLUGNB-OAQYLSRUSA-N 402.560 3.233 0 40 HGAB CN(C)[C@@H](CNC(=O)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1)c1cccs1 44118143 WVRRFTGFNPVVCE-DLBZAZTESA-N 402.520 3.290 0 40 HGAB O=S(=O)(c1ccc(Cl)s1)N1CCC[C@H](c2nnc(C(F)(F)F)o2)C1 77198115 ADBBCHDVNXEMBA-ZETCQYMHSA-N 401.819 3.372 0 40 HGAB CCOc1cccc(-c2nnc(SCC(=O)Nc3ccc(F)c(F)c3)n2N)c1 5047210 JIWYEGAKPAQQRR-UHFFFAOYSA-N 405.430 3.067 0 40 HGAB COc1ccc(S(=O)(=O)NCc2ccco2)cc1NC(=O)c1ccccc1F 5059446 YNIGFLDQPXHMKD-UHFFFAOYSA-N 404.419 3.158 0 40 HGAB COc1ccc(CNC(=O)[C@H]2[C@@H]3[C@H]2CC[C@@]32CC(=O)c3ccccc3O2)cc1OC 12122236 NJSSWXZFUOZIBC-JNTAVDMJSA-N 407.466 3.380 0 40 HGAB CCOc1ccc(N2C[C@@H](C(=O)NCCCc3nc4ccccc4[nH]3)CC2=O)cc1 12770991 HTOKIAKIZPBMNN-INIZCTEOSA-N 406.486 3.064 0 40 HGAB CS(=O)(=O)N(CCCC(=O)NCCSCc1ccco1)c1ccc(F)cc1 14396424 RAUXWIPBPDOSMS-UHFFFAOYSA-N 414.524 3.015 0 40 HGAB CNc1c(NS(=O)(=O)c2ccc(Br)s2)c(=O)oc2ccccc12 15951923 OHKPEFIFRQBZAL-UHFFFAOYSA-N 415.290 3.460 0 40 HGAB COc1ccc(-c2noc([C@H]3CN(C(=O)c4cnc(C(C)(C)C)nc4)CCO3)n2)cc1 19084793 WFNKPSIMHLGQAQ-QGZVFWFLSA-N 423.473 3.046 0 40 HGAB Cc1ccccc1-c1noc([C@H]2CN(S(=O)(=O)c3ccc(F)c(F)c3)CCO2)n1 19237523 DSAPNIHNQFCKKB-QGZVFWFLSA-N 421.425 3.085 0 40 HGAB COc1ccccc1-c1cc2ncc3c(n2n1)C[C@@H]1CC[C@H]3N1C(=O)c1ccnn1C 19289074 NHHHCYGYBYBNDX-KBXCAEBGSA-N 414.469 3.040 0 40 HGAB CCOc1ccc2nc3c(cc2c1)CN(Cc1nnnn1Cc1ccccc1)CCO3 19519978 GBOCBHLWSWUSRS-UHFFFAOYSA-N 416.485 3.063 0 40 HGAB O=C(NC[C@H](c1cccnc1)N1CCc2ccccc2C1)C(=O)NC1CCCCCC1 15882579 OTVVZNABSABRMH-HSZRJFAPSA-N 420.557 3.136 0 40 HGAB Cc1cc(N2C[C@H](C(=O)Nc3c(C)nn(C)c3C)CC2=O)ccc1Br 32455741 SUKHMQPESSQETB-CYBMUJFWSA-N 405.296 3.099 0 40 HGAB CNC(=O)c1ccc(/C=C/C(=O)Nc2ccc(I)cc2)cc1 36392365 CWOCZZRFRQUATC-NYYWCZLTSA-N 406.223 3.303 0 40 HGAB Cc1ccc([C@@H]2[C@@H](C(=O)OCC(C)C)C(=O)C[C@@](C)(O)[C@@H]2C(=O)OCC(C)C)cc1 4127308 HPCNXPUAEASMIE-MDAIXWLXSA-N 418.530 3.433 0 40 HGAB Cc1cc(C)n(-c2nc(C)c(C)c(=O)n2CC(=O)Nc2cccc3ccccc23)n1 4853402 XDNHPYRPTIRJLT-UHFFFAOYSA-N 401.470 3.455 0 40 HGAB COc1ccc(-n2nc3c(c2NC(=O)C(=O)NC2CCCCCC2)CSC3)cc1 4941675 LEZGGNWQKSMTRS-UHFFFAOYSA-N 414.531 3.405 0 40 HGAB COc1ccc(CN2CNc3c(c(=O)nc(S)n3CCc3ccccc3)C2)cc1 9058964 UUYUTZIRSYPMIT-UHFFFAOYSA-N 408.527 3.169 0 40 HGAB CCn1c(C)cc(O)c([C@H](c2ccncc2)N2CCN(c3ccc(F)cc3)CC2)c1=O 22697520 AOMNRYCKUKOPOB-QHCPKHFHSA-N 422.504 3.328 0 40 HGAB Cc1cc(C)c2nc(N3CCN(c4cncc(-c5cnn(C)c5)n4)CC3)sc2c1 2298241802 AGRBXJWFMDGCQF-UHFFFAOYSA-N 405.531 3.430 0 40 HGAB Cc1nc(NCCNC(=O)c2c(-c3ccccc3Cl)noc2C)cc(N(C)C)n1 36708046 DIBSCELXHFIIJO-UHFFFAOYSA-N 414.897 3.310 0 40 HGAB C[C@]1(c2ccccc2)NC(=O)N(NC(=O)c2cc(-c3cccc(Cl)c3)on2)C1=O 30036100 SRQJDWSBDBCRCA-HXUWFJFHSA-N 410.817 3.107 0 40 HGAB CCOC(=O)CNC(=O)CSc1ncnc2scc(-c3ccc(C)cc3)c12 2437538 ZXDJKUZBPKOMSE-UHFFFAOYSA-N 401.513 3.438 0 40 HGAB COc1ccc(OC)c(NC(=O)Cn2nnc(-c3ccc(OCC(C)C)cc3)n2)c1 878242 IEDRZXKZZUBENO-UHFFFAOYSA-N 411.462 3.031 0 40 HGAB COc1ccc(Cl)cc1NC(=O)CSc1nc2c(c(=O)n1C)S[C@H](C)C2 4107770 SDTJANRQRPBDGT-SECBINFHSA-N 411.936 3.210 0 40 HGAB COc1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2-n2cccc2)cc1 4586058 ZUQPZTLMVUJWGZ-UHFFFAOYSA-N 406.471 3.192 0 40 HGAB CC1=C([C@@H]2CC(=O)N(c3ccccc3)C2=O)CC[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]12 101670467 ALCZTTLSWRLVRM-JAXLGGSGSA-N 414.461 3.482 0 40 HGAB O=C(Cn1cnc2cc(-c3ccc(Br)cc3)sc2c1=O)NC1CC1 7024514 JHSJPAUEROPKMQ-UHFFFAOYSA-N 404.289 3.166 0 40 HGAB CCCn1c(COC(=O)c2cc(Cl)c[nH]2)nc2cc(S(=O)(=O)N(C)C)ccc21 32777182 ZYNFJTBTCHIBFR-UHFFFAOYSA-N 424.910 3.035 0 40 HGAB O=C(Nc1ccc(N2CCCC2)nc1)c1sccc1S(=O)(=O)N1CCCCC1 32883670 DSOXJSSMNJXUAN-UHFFFAOYSA-N 420.560 3.170 0 40 HGAB C[C@H](Sc1nnc(C[C@@H]2CCS(=O)(=O)C2)o1)C(=O)c1cccc(Cl)c1 21623858 PEHOVBIOFLSJDJ-QWRGUYRKSA-N 400.909 3.064 0 40 HGAB CC1(C)[C@@H]2CC[C@]1(C)c1nc(SCC(=O)c3ccc4c(c3)NC(=O)CO4)nnc12 100476968 JLJFHXCGHOWWQV-XUSGNXJCSA-N 410.499 3.352 0 40 HGAB Nc1c(Cl)c(Cl)nc(C(=O)OCC(=O)N2CCc3ccccc32)c1Cl 33654071 AVTVAZBCUSQXEE-UHFFFAOYSA-N 400.649 3.370 0 40 HGAB CCOC(=O)c1c(C)oc2ncn(CC(=O)N(C)[C@H]3CCCc4ccccc43)c(=O)c12 7554263 QRCUNLRGRJUEII-KRWDZBQOSA-N 423.469 3.011 0 40 HGAB COc1ccc(CCN2CC3=C(C2=O)[C@H](c2ccc(SC)cc2)NC(=O)N3)cc1 12347226 YKQTYTHELOYYBD-FQEVSTJZSA-N 409.511 3.110 0 40 HGAB COc1ccc(N(CC(=O)N2CCC(C)CC2)S(=O)(=O)c2ccc(C)cc2)cc1 20235637 SUVXTLSKKNBIHY-UHFFFAOYSA-N 416.543 3.457 0 40 HGAB CCn1c(C)cc(O)c([C@@H](c2cccnc2)N2CCN(c3ccc(F)cc3)CC2)c1=O 22697476 YJAVGQLCWXPTAB-HSZRJFAPSA-N 422.504 3.328 0 40 HGAB O=C(CN1CC=C(c2ccccc2)CC1)N(C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 8516383 CPHYBZOVNFFNQD-JOCHJYFZSA-N 416.587 3.124 0 40 HGAB COc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(C)c(Cl)c4)C(=O)[C@@H]3N3CCCN23)cc1 102686112 ZWKGDCTXNBEQDU-HSALFYBXSA-N 411.889 3.193 0 40 HGAB C[C@@H](NS(=O)(=O)c1ccsc1C(=O)O)c1nc2ccccc2n1C(F)F 12559768 FJDDCKBXDSELDZ-MRVPVSSYSA-N 401.416 3.231 0 40 HGAB CC[C@H](C(=O)N1CCN(c2ccccc2)CC1)n1nnc(-c2ccc(Cl)cc2)n1 12527585 VTQKOBYNJJUQPL-LJQANCHMSA-N 410.909 3.293 0 40 HGAB CC(=O)c1ccc(N2CCN(CCC(=O)NCCc3c[nH]c4ccccc34)CC2)cc1 12587243 MQDQUBQVHDWJDP-UHFFFAOYSA-N 418.541 3.242 0 40 HGAB Cc1ccccc1-c1ncc(CN2C[C@@H]3CCC[C@@H](C2)C3(O)c2nccn2C)cn1 100728559 JLFVCAHAMYSPCK-PMACEKPBSA-N 403.530 3.305 0 40 HGAB COc1ccc(OCCN2CCN(c3nn4cc(C(C)(C)C)nc4s3)CC2)cc1 12520572 VGBPYVSGWJCYPU-UHFFFAOYSA-N 415.563 3.298 0 40 HGAB Cc1ccc([C@](O)(CCNC(=O)N2CCN(c3ccccc3)CC2)C(F)(F)F)o1 26289209 KUQAZKRAOZJQIG-LJQANCHMSA-N 411.424 3.260 0 40 HGAB Cc1cc(C)nc(-n2nc(C)c(CC(=O)Oc3cccnc3Br)c2C)n1 57360173 LHZIPQYKFKRAEE-UHFFFAOYSA-N 416.279 3.202 0 40 HGAB CCCN(CC(=O)Nc1ccc(F)c(F)c1F)S(=O)(=O)c1ccc(F)cc1 3278728 VOYQZWBQVISRCK-UHFFFAOYSA-N 404.385 3.282 0 40 HGAB C[C@H](NCC(=O)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1)c1ccccc1Cl 57650873 PJCSYQZAURAILA-RDJZCZTQSA-N 406.935 3.211 0 40 HGAB O=C(CCCN1c2cccc3cccc(c23)S1(=O)=O)Nc1ccc(C(=O)O)cc1 408703071 DMGMKDKOBRFBHD-UHFFFAOYSA-N 410.451 3.466 0 40 HGAB CCc1ccc(S(=O)(=O)Nc2cc(-c3n[nH]c(=O)[nH]3)cc(C(F)(F)F)c2)cc1 58392636 UKAQAQXDRRMFHE-UHFFFAOYSA-N 412.393 3.147 0 40 HGAB CCNC(=O)c1ccc(C)c(S(=O)(=O)Nc2cc(Cl)c(OC)cc2OC)c1 3361478 RVUTYDNLYLVXPQ-UHFFFAOYSA-N 412.895 3.216 0 40 HGAB O=S(=O)(NC1CC1)c1cccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c1 10518234 HRQWCZNCDCXRQL-UHFFFAOYSA-N 421.327 3.235 0 40 HGAB CCOCCCNC(=O)c1c(N)n(-c2ccc(OC)cc2)c2nc3ccccc3nc12 2314670 XLTIZXGAYVEYEB-UHFFFAOYSA-N 419.485 3.321 0 40 HGAB Cc1cc(NC(=O)Cc2ccc(Cl)c(Cl)c2)n([C@H]2CCS(=O)(=O)C2)n1 12856365 BAKDZWGFUQADIO-LBPRGKRZSA-N 402.303 3.039 0 40 HGAB COc1ccc(OC)c([C@@H]2CCCN2S(=O)(=O)c2ccc(CCC(=O)O)cc2)c1 12806387 IBVCOAYLSMTJCS-IBGZPJMESA-N 419.499 3.247 0 40 HGAB CC(C)N(C(=O)[C@@H](C)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1)C(C)C 12855978 MRASICOROVLSON-QGZVFWFLSA-N 402.535 3.386 0 40 HGAB CCC(=O)c1ccc(OCC(=O)N(C)CC(=O)Nc2ccccc2SC)cc1 3459334 NZUYVQVCAGBYAG-UHFFFAOYSA-N 400.500 3.477 0 40 HGAB COc1ccccc1-c1nc2s/c(=C/c3ccccc3Br)c(=O)n2n1 26534078 DORSVZOXHSMNDU-XNTDXEJSSA-N 414.284 3.137 0 40 HGAB CCOc1ccc(NC(=O)Cn2ccn3nc(-c4ccc(OC)cc4)cc3c2=O)cc1 7615967 IWJYIINECMQHQZ-UHFFFAOYSA-N 418.453 3.209 0 40 HGAB COc1ccc(C(=O)NCC(=O)Nc2nc(-c3cccs3)cs2)cc1OC 12933849 FXTHJRJMXGDMGO-UHFFFAOYSA-N 403.485 3.257 0 40 HGAB CC(C)C[C@@H]1N[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]12 16042051 ZYLKFGNREPUGAC-QPXQOZNCSA-N 423.900 3.311 0 40 HGAB biogenic CCN1C(=O)S/C(=C/c2cc(Br)ccc2OCC(=O)OC)C1=O 409074264 YXAPCOLDPFGCDG-KPKJPENVSA-N 400.250 3.057 0 40 HGAB Cc1ccc(SCCNC(=O)c2cc(C)c(C)c(S(=O)(=O)N(C)C)c2)cc1 13022310 MQUJULSDRSCLCS-UHFFFAOYSA-N 406.573 3.384 0 40 HGAB Cc1ccc(NS(=O)(=O)c2n[nH]c(C)c2C(=O)Nc2ccc(F)c(F)c2)cc1 49003343 RXOBBTKWVSXCAI-UHFFFAOYSA-N 406.414 3.358 0 40 HGAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)OC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O 7807195 HGABNJDRKFXVND-KBPBESRZSA-N 404.422 3.275 0 40 HGAB Cc1cc(S(=O)(=O)N2CCC[C@@H]2c2nnc3ccccn23)ccc1Br 14188809 ZTRYBEOUYPISFT-OAHLLOKOSA-N 421.320 3.326 0 40 HGAB COc1cc(-c2nnc(COC(=O)c3ccc(N(C)C)cc3)o2)cc(OC)c1OC 5403487 AFMAYLFQHSSWBR-UHFFFAOYSA-N 413.430 3.185 0 40 HGAB COc1ccc([C@H]2C(C(=O)Nc3ccc(C)cc3C)=C(C)Nc3nnnn32)cc1OC 4878781 OWXQKFFMUILLMX-FQEVSTJZSA-N 420.473 3.235 0 40 HGAB Cc1ccc(NC(=O)c2nnn(Cc3cccc(Br)c3)c2N)cc1F 4852506 JUWMZRBVQAKUSN-UHFFFAOYSA-N 404.243 3.371 0 40 HGAB CCOc1ncccc1C(=O)N1CCCc2cc(S(=O)(=O)N(CC)CC)ccc21 15201908 TYWCBXWGSBIRSW-UHFFFAOYSA-N 417.531 3.104 0 40 HGAB Cc1ccc([C@@H](C)NC(=O)Cn2c(-c3ccc(F)cc3)nc(C)c(CCO)c2=O)cc1 67301138 AWNDDMGWHIOJQL-MRXNPFEDSA-N 423.488 3.078 0 40 HGAB Cc1[nH]c(SCC(=O)N2CCN(c3ccccn3)CC2)nc1Cc1ccccc1 7246280 UYOKBGVIMWKFOG-UHFFFAOYSA-N 407.543 3.145 0 40 HGAB COC(=O)c1c(COC(=O)CCn2c(=O)oc3ccccc32)nc2ccccc2c1C 17991968 SFOQFFSMJAFZFN-UHFFFAOYSA-N 420.421 3.371 0 40 HGAB C[C@]1(c2cc(F)ccc2F)NC(=O)N(CC(=O)c2ccc(Br)cc2)C1=O 9606089 WLSWEKLNVZKICP-GOSISDBHSA-N 423.213 3.377 0 40 HGAB COc1cc(OC)cc(C(=O)NCc2nnc3c(Cl)cc(C(F)(F)F)cn23)c1 9639346 IUVURHFOZGOMPB-UHFFFAOYSA-N 414.771 3.349 0 40 HGAB COc1cc2[nH]c(O)c(C(=O)Nc3cccc(Br)c3)c(=O)c2cc1OC 9088543 PXNWQDPISJUOCT-UHFFFAOYSA-N 419.231 3.266 0 40 HGAB COc1ccc(NC(=O)[C@@H](C)NC(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1 71335715 HKIOJQOXBQYTGT-OAHLLOKOSA-N 416.909 3.207 0 40 HGAB COc1ccccc1Nc1nc(N)nc(COC(=O)[C@H]2SCCc3ccccc32)n1 72305579 BOQXGGDHJQZUFB-SFHVURJKSA-N 423.498 3.280 0 40 HGAB CCc1ccc([C@@H]2CCCCN2S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)o1 95402896 JIHIMNLBGRKMIL-KRWDZBQOSA-N 411.545 3.470 0 40 HGAB COc1ccc(C2=NN(C(=O)CCC(=O)O)[C@H](c3ccccc3F)C2)c(OC)c1 95945205 QCKLFLCFVYQTLL-SFHVURJKSA-N 400.406 3.385 0 40 HGAB COc1cccc(-c2nc(C(=O)NS(=O)(=O)c3cc(F)c(C)cc3F)c(C)[nH]2)c1 89570497 MMIUHKWKWBYXQD-UHFFFAOYSA-N 421.425 3.099 0 40 HGAB COc1ccc(NC(=O)Cn2cc(C(=O)C(=O)N3CCCCC3)c3ccccc32)cc1 408571925 PXDBJAMCTCZCRK-UHFFFAOYSA-N 419.481 3.484 0 40 HGAB Cc1ccccc1OC[C@@H](C)NC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 65720054 HOUGESRSCKFFHJ-GOSISDBHSA-N 416.543 3.367 0 40 HGAB COC(=O)c1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)N2CCCCC2)c1 408618464 GKSMDXTXPCJICY-UHFFFAOYSA-N 416.499 3.209 0 40 HGAB Cc1cccc(C(=O)N[C@@H]2C(=O)N/[N+](=C\c3ccc(F)cc3)[C@@H]2c2ccccc2)c1 409056274 GOKDFCIEXDHKQE-DCFWFYTKSA-O 402.449 3.150 0 40 HGAB COc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cc(C)ccc3OC)C2)cc1 409393467 WWHBNMARMUXIFM-INIZCTEOSA-N 418.515 3.052 0 40 HGAB CC(=O)c1cccc(N2C(SCc3ccccc3F)=N[C@H]3CS(=O)(=O)C[C@@H]32)c1 32641162 UCMLZEAZFDYAFO-OALUTQOASA-N 418.515 3.303 0 40 HGAB CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCSCc1ccccc1 218993541 MPKLFXFHLYVZFU-UHFFFAOYSA-N 404.557 3.150 0 40 HGAB COc1cc2c(cc1OC)[C@@H](NC(=O)[C@@H]1CCCN(c3nc(C)cc(C)n3)C1)CC2 524734018 NWEYKBDZPHWNDE-MJGOQNOKSA-N 410.518 3.131 0 40 HGAB CC(C)CN1C(=O)CO[C@H](c2ccc(NC(=O)Nc3cccc(F)c3)cc2)[C@H]1CO 72321152 WZCWEZVLJKXKPZ-TZIWHRDSSA-N 415.465 3.387 0 40 HGAB biogenic,in-vitro COC(=O)C1=CO[C@@H](C)[C@@H]2CN3CCc4c([nH]c5cc(OC)c(OC)cc45)[C@@H]3C[C@H]12 59796449 FGWJRZQNNZVCHR-HAHWVIBASA-N 412.486 3.196 0 40 HGAB biogenic COC(=O)C[C@@H]1CCCCN1C(=O)CCCN1C(=O)c2cccc3cccc(c23)C1=O 48231975 LJRDZXHHQAHPML-KRWDZBQOSA-N 422.481 3.160 0 40 HGAB CC(C)(C)c1cc(C(=O)N2CCC[C@@H](c3cc(C(F)(F)F)n4ncnc4n3)C2)[nH]n1 72393656 CQMUDHIKTWUNDO-LLVKDONJSA-N 421.427 3.184 0 40 HGAB COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)N[C@H]2C[C@@H]3CC[C@@H]2C3)cc1OC 223693494 SEVVNTCANDCEPN-IMWSTINSSA-N 410.470 3.373 0 40 HGAB CCN(Cc1ccc(C(=O)NCCCOC(C)C)cc1)S(=O)(=O)c1ccccc1 224448498 AYXDMMMWGYQMSK-UHFFFAOYSA-N 418.559 3.442 0 40 HGAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(-n3cnnn3)cc2)c(Br)c1 40140786 NSMNBNFIKAUSPN-LBPRGKRZSA-N 402.252 3.139 0 40 HGAB COc1cccc(CNC(=O)c2cccc(N(C)S(=O)(=O)c3ccccc3)c2)c1 224499900 ZNVZBQFYCROAQJ-UHFFFAOYSA-N 410.495 3.450 0 40 HGAB COc1ccc(N([C@@H](C)C(=O)NCc2cccc3ccccc23)S(C)(=O)=O)cc1 222840424 HUFFLIGQHUWARL-INIZCTEOSA-N 412.511 3.319 0 40 HGAB CC[C@@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)CSCc1ccccc1 223418046 QSHCKMMCYZYUIV-FQEVSTJZSA-N 400.544 3.482 0 40 HGAB COc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)N3CCC[C@@H](C)C3)c2)cc1 224284581 XYTYYWAULSPWEZ-MRXNPFEDSA-N 402.516 3.392 0 40 HGAB CCN(c1ccc(C(=O)NCCCN2CCCC2)cc1)S(=O)(=O)c1ccccc1 224363057 ZIJOMEXLTOROSB-UHFFFAOYSA-N 415.559 3.118 0 40 HGAB Cc1ccc2c(c1)O[C@@H](C(=O)N[C@@H](C)C(C)C)CN2S(=O)(=O)c1ccccc1 225218885 WHOWSNVBTDQYOO-OXJNMPFZSA-N 402.516 3.112 0 40 HGAB C[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCc1cccc2ccccc12 222895136 FTZWRSGSBHBQLG-INIZCTEOSA-N 412.511 3.319 0 40 HGAB CN(c1ccc(C(=O)NCCCN2CCCCC2)cc1)S(=O)(=O)c1cccs1 224184472 ACVJCCSHHZNKFD-UHFFFAOYSA-N 421.588 3.179 0 40 HGAB COc1cc(OC)c(NC(=O)NCc2ccnc(N3CCCCC3)n2)cc1Cl 224209904 OJDXCWXXSSXRNR-UHFFFAOYSA-N 405.886 3.459 0 40 HGAB COC(=O)CN(c1ccc(OC2CCCC2)cc1)S(=O)(=O)c1ccc(OC)cc1 224872880 ASSZPFRACULPJW-UHFFFAOYSA-N 419.499 3.385 0 40 HGAB Cc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)nc1 223257320 VSOVMBPFTUPYMW-LEWJYISDSA-N 406.559 3.110 0 40 HGAB CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]2[C@@H]2C=CC=NN21 230016036 VGVXLUAWOCBZCS-JJXSEGSLSA-N 420.296 3.323 0 40 HGAB CC(C)N1CCN(C(=O)c2cc(-c3cnc(N4CCCC4)nc3)cn2CC2CC2)CC1 96037697 YKZZIJMMJIOMPZ-UHFFFAOYSA-N 422.577 3.122 0 40 HGAB COc1ccc([C@H]2SCC(=O)Nc3c2c(O)nn3C2CCSCC2)cc1O 96118319 AQQQLILPLRSATO-MRXNPFEDSA-N 407.517 3.146 0 40 HGAB COc1ccc2c(c1)C(=O)N[C@@]1(CC2)CCN([C@H](C)Cc2ccc(OC)c(OC)c2)C1 248197042 QTGUMDXHONAXJW-NSYGIPOTSA-N 424.541 3.464 0 40 HGAB CCc1ccccc1NC(=O)CN1CCC2(CC1)CCC(C)(C)N(S(C)(=O)=O)C2 257320253 VVYCCDBVAMMJLB-UHFFFAOYSA-N 421.607 3.104 0 40 HGAB COCCNC(=O)CN1CCC[C@H](c2cc(Nc3cccc(F)c3)cc(C)n2)C1 257252296 JUGTWUKLINTLRZ-KRWDZBQOSA-N 400.498 3.215 0 40 HGAB CO[C@@H]1CCN(CC(=O)Nc2ncc(Cc3ccccc3F)s2)C[C@]12CCCO2 257329627 XKTLYFYXNQXFBZ-WIYYLYMNSA-N 419.522 3.081 0 40 HGAB O=C(Nc1ccc(C(F)(F)F)cc1)N1CCCSC[C@@H]1CN1CCOCC1 90609195 VSRCVTIPHCBWBF-INIZCTEOSA-N 403.470 3.377 0 40 HGAB O=C(Cc1c[nH]c2ccc(F)cc12)N[C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O 682552050 GOJZHXIRYMMVRR-HXUWFJFHSA-N 415.415 3.435 0 40 HGAB CCCN1CCN(C(=O)C(C)(C)N)C[C@H](Cc2ccccc2-c2ccccc2)C1=O 585183574 BZDSDJFPSZYUFI-NRFANRHFSA-N 407.558 3.330 0 40 HGAB O[C@H]1[C@H](NCc2ccc(Cl)c(Cl)c2)[C@H]2CO[C@H](O2)[C@@H]1n1cnc2ccccc21 952844649 FDYJKOJHFZFGNO-LTFPLMDUSA-N 420.296 3.159 0 40 HGAB biogenic,in-vitro CC[C@@H]1CN(C(=O)Nc2ccc(F)cc2F)[C@H](CO)[C@@H]1CN1CCC(F)(F)C1 1772594939 IMVKNMFCZSMOQC-SUYBPPKGSA-N 403.420 3.157 0 40 HGAB O=C(COc1ccc(I)cc1)Nc1ccc2c(c1)OCCO2 5050388 FMCURQGHAQYXFR-UHFFFAOYSA-N 411.195 3.080 0 40 HGAB O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cccc(OC(F)F)c1 12907196 WAWACMDANABSJP-UHFFFAOYSA-N 424.469 3.393 0 40 HGAB Cc1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H]([C@H]1CCCN(C(=O)CCc3ccno3)C1)N2 19127817 AVUTYTSQTABJNC-CWRNSKLLSA-N 411.428 3.339 0 40 HGAB COc1ccc(-c2noc([C@@H]3CN(C(=O)COc4c(C)cccc4C)CCO3)n2)cc1 19236062 SAUFPGJXEZRJRG-IBGZPJMESA-N 423.469 3.341 0 40 HGAB COCC(=O)N1CCC[C@](Cc2ccccc2-c2ccncc2)(C(=O)NC(C)C)C1 19448817 HYLKTLHESXWTPE-XMMPIXPASA-N 409.530 3.071 0 40 HGAB CC[C@@H](C)C(=O)N1CCC[C@@H]1c1cc2nc3c(c(O)n2n1)CN(C1CCCC1)CC3 19499832 GBKUTRMBFMWRMB-FOIQADDNSA-N 411.550 3.445 0 40 HGAB Cc1noc(C)c1CCC(=O)N1CCC(C(=O)c2cnn(-c3ccccc3)c2N)CC1 19580589 LKLBZNCKHWTYFU-UHFFFAOYSA-N 421.501 3.113 0 40 HGAB CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)ccc1O 6439515 IWUKRHGZNWZUJH-CXUHLZMHSA-N 403.412 3.407 0 40 HGAB COc1cc(C(=O)N2CCC(c3noc(-c4cccnc4)n3)CC2)cc(OC)c1OC 12186929 VBZMTIICKLCRNQ-UHFFFAOYSA-N 424.457 3.177 0 40 HGAB Cc1cn2nc(OCC3CCN(C(=O)[C@H]4CCc5ccccc5O4)CC3)ccc2n1 1888913441 GPPSJXLGYZEAIY-HXUWFJFHSA-N 406.486 3.049 0 40 HGAB CCS(=O)(=O)c1ccc(C(=O)Nc2nc3ccc(NC(C)=O)cc3s2)cc1 5241725 LEXHGDAQGSLXLW-UHFFFAOYSA-N 403.485 3.301 0 40 HGAB O=C(Nc1nnc(-c2cccs2)o1)[C@H]1CCCCN1S(=O)(=O)c1cccs1 10785205 YWOAEHQCWWTQQZ-LLVKDONJSA-N 424.529 3.042 0 40 HGAB CCCS(=O)(=O)N1CCCc2cc(NS(=O)(=O)c3cccc(F)c3)ccc21 12180443 BJHBSMKIJFQVJY-UHFFFAOYSA-N 412.508 3.119 0 40 HGAB CCN(CC)C(=O)c1sc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)c(C(=O)OC)c1C 2767192 HRCJAIVIUFVPCU-OLZOCXBDSA-N 424.519 3.155 0 40 HGAB COC(=O)c1ccc(NC(=O)C[C@@H](NC(=O)C(F)(F)F)c2cccs2)cc1 4092817 MRSRRGWWMKCDQV-GFCCVEGCSA-N 400.378 3.283 0 40 HGAB CCOc1ccc(NC(=O)NC2CCN(CC(=O)N[C@@H]3CCCC[C@H]3C)CC2)cc1 4909365 XAKRQMQQJBGDEX-DYESRHJHSA-N 416.566 3.366 0 40 HGAB COc1ccc(CCNC(=O)c2sc3nc(CSC)[nH]c(=O)c3c2C)cc1 5266105 CHDCWHJJJFWKLD-UHFFFAOYSA-N 403.529 3.137 0 40 HGAB CC(C)C[C@@H]1OCCn2c(-c3ccc(Cl)cc3)c3c(=O)n(C)c(=O)n(C)c3c21 6660885 SNTUHRSTGCVULF-HNNXBMFYSA-N 401.894 3.477 0 40 HGAB O=C(COC(=O)c1oc2ccccc2c1COc1ccccc1)NC[C@H]1CCCO1 7779678 QCPUMTNVPAKHRD-QGZVFWFLSA-N 409.438 3.464 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)OCc2cn3cc(C)ccc3n2)c1 8483555 KINKVCPYCMOYEZ-UHFFFAOYSA-N 419.478 3.169 0 40 HGAB Cc1cc(C)n2nc(SCC(=O)N[C@@H](C)c3ccc(Br)cc3)nc2n1 8769550 DUKMZPWCSQVYFQ-LBPRGKRZSA-N 420.336 3.473 0 40 HGAB CCOC(=O)c1nn(-c2ccccc2)c(=O)cc1NC(=O)c1ccccc1OCC 8770350 SDQQYZFXQIOKGQ-UHFFFAOYSA-N 407.426 3.060 0 40 HGAB CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)cc(Cl)c1OC 9259503 QLXKVNOUBBVZAD-XNTDXEJSSA-N 424.906 3.406 0 40 HGAB C[C@@H](Sc1nnc(COc2ccccc2F)n1N)C(=O)Nc1ccc(Cl)cc1 9500589 MQYJFJINMALJQT-LLVKDONJSA-N 421.885 3.483 0 40 HGAB NC(=O)c1ccsc1NC(=O)c1cccc(NS(=O)(=O)c2ccc(F)cc2)c1 9714800 VGGONRUHHXGEQY-UHFFFAOYSA-N 419.459 3.039 0 40 HGAB CCc1ccc(OCC(=O)OCC(=O)Nc2cc(C)nn2-c2ccc(F)cc2)cc1 9802031 ZSIIAVOQHLFIGF-UHFFFAOYSA-N 411.433 3.443 0 40 HGAB CC(C)(CNC(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)N1CCCCC1 11594663 QOXPPYAASUPVJU-UHFFFAOYSA-N 416.591 3.177 0 40 HGAB O=C(c1ccc(Cn2cccn2)o1)N1CCC[C@H](c2ncncc2-c2ccncc2)C1 12088577 QDSROYHSMAMZTL-SFHVURJKSA-N 414.469 3.396 0 40 HGAB CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCCN3C(=O)Cn3cc(C)cn3)cc2N1 12181379 UPPQAEJDGRBQAG-VNQPRFMTSA-N 410.444 3.449 0 40 HGAB COC(=O)C[C@H](NC(=O)C1=C(C(=O)O)CCCC1)c1ccc(Br)cc1C 12464347 JVWDQUNRXNWURP-INIZCTEOSA-N 424.291 3.433 0 40 HGAB C[C@@H]1CCC[C@@H](C)C12NC(=O)N(CN1CCN(c3cccc(Cl)c3)CC1)C2=O 12538331 NDDPQEZSSRYSTK-HZPDHXFCSA-N 404.942 3.166 0 40 HGAB COc1ccc(CCNC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)cc1 12584834 YMJVQLISGKXSOE-UHFFFAOYSA-N 410.495 3.469 0 40 HGAB S=c1n(Cc2ccccc2)nnn1CN1CCN(c2cccc(Cl)c2)CC1 12734560 LWEPVOGEAQDJRA-UHFFFAOYSA-N 400.939 3.290 0 40 HGAB CCn1cc(C(=O)NCc2ccc(NC(=O)C3CC3)cc2)c(=O)c2ccc(C)nc21 12797349 CPMDKAOTLOZMJP-UHFFFAOYSA-N 404.470 3.003 0 40 HGAB Cc1nn(-c2ccccc2Cl)c2sc(C(=O)NCCN3CCOCC3)cc12 12807122 SAKONGNDQDKPEC-UHFFFAOYSA-N 404.923 3.111 0 40 HGAB COC[C@H](C)NC(=O)CSc1nc2sc(C)c(C)c2c(=O)n1C1CCCC1 12893816 TWYOCJFVNLMHNU-NSHDSACASA-N 409.577 3.433 0 40 HGAB CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)[C@H](C)Oc1cccc(Cl)c1 12910482 GQLSHLUBFWBDCV-AWEZNQCLSA-N 418.877 3.366 0 40 HGAB O=C(Cc1csc(NC(=O)C2CC2)n1)Nc1nc2cc3c(cc2s1)OCCO3 12922127 ZEXJXMMFNIDMSG-UHFFFAOYSA-N 416.484 3.054 0 40 HGAB CCOc1ccc(N2C[C@H](C(=O)Nc3ccc(N4CCCC4=O)cc3)CC2=O)cc1 12977958 ZNASKEYJCOGBAN-MRXNPFEDSA-N 407.470 3.204 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCCc3cc(C(=O)NC[C@H]4CCCO4)ccc32)cc1 13583642 JKVYNUBNFMZSSI-LJQANCHMSA-N 414.527 3.045 0 40 HGAB O=C(CSc1nnc(NC[C@@H]2CCCO2)s1)c1cccc(N2CCCC2=O)c1 14141961 YIOVNQUVPJKANP-HNNXBMFYSA-N 418.544 3.231 0 40 HGAB COc1ccc(OCCCN2C(=O)N[C@]3(CCCc4cc(OC)ccc43)C2=O)cc1 14253440 LQVNPKQGOACOTB-QHCPKHFHSA-N 410.470 3.256 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)c2ccc(NC(C)=O)s2)c1 14272735 DYNJSSZZYQSZNE-UHFFFAOYSA-N 409.533 3.298 0 40 HGAB COc1cc(OC)cc(C(=O)Nc2nc(CC(=O)NCc3ccccc3)cs2)c1 15881023 SGQAKMGNGMELKH-UHFFFAOYSA-N 411.483 3.272 0 40 HGAB CCc1cccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C(C)=O)cc3)CC2)c1 16640051 YHPXRBLPWDPSRT-UHFFFAOYSA-N 414.527 3.491 0 40 HGAB CCc1ccccc1Nc1noc2c1CN(C(=O)CCc1c(C)nc(C)[nH]c1=O)CC2 19523054 PBZZHKSMGLOKPP-UHFFFAOYSA-N 421.501 3.198 0 40 HGAB Cc1nc(N)c2ccc([C@H]3CCCN(CC(=O)N4CCCc5ccccc54)C3)nc2n1 19743313 JUGHZDNJINGKTA-SFHVURJKSA-N 416.529 3.074 0 40 HGAB O=C([C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1)N1CCc2ccccc21 19861165 LQJBPFXLCQZZMU-GOSISDBHSA-N 418.946 3.471 0 40 HGAB CN1CCN(CCCNC(=O)c2ccc(OCCSc3ccccc3)cc2)CC1 20106211 VGZQRYHTJAEOKY-UHFFFAOYSA-N 413.587 3.225 0 40 HGAB Fc1ccc([C@H](c2nnnn2-c2cccc(C(F)(F)F)c2)N2CCOCC2)cc1 20169419 BTEFLJIYTLWOMC-QGZVFWFLSA-N 407.371 3.242 0 40 HGAB CCc1cccc(C)c1NC(=O)[C@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1 20492833 YJOFGZPAOXXKEH-QGZVFWFLSA-N 408.907 3.377 0 40 HGAB O=C1CCc2ccc(OCc3noc(C(=O)NCc4ccccc4Cl)n3)cc2N1 20716074 TZZQUNOGKXDRAR-UHFFFAOYSA-N 412.833 3.117 0 40 HGAB CCOC(=O)Nc1cccc(OCC(=O)Nc2cc(OC)c(OC)c(OC)c2)c1 21288047 ZTJLIFAPIJHDHY-UHFFFAOYSA-N 404.419 3.298 0 40 HGAB CCN(c1cc(OC)c(OC)cc1C(=O)Nc1cc(C)cc(C)c1)S(C)(=O)=O 22251886 LAAIAVSKSSTHMW-UHFFFAOYSA-N 406.504 3.359 0 40 HGAB Cc1ccc(C)c(N(CC(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)S(C)(=O)=O)c1 22328718 GUBGOCVMYCOMIW-GOSISDBHSA-N 416.543 3.488 0 40 HGAB CCc1ccccc1N(CC(=O)N[C@H]1CC(C)(C)Oc2ccccc21)S(C)(=O)=O 22329850 XXCZCDAJBMGQEU-SFHVURJKSA-N 416.543 3.434 0 40 HGAB Cc1ccc(-c2csc(=S)n2CC(=O)NCCNC(=O)c2ccco2)cc1 22901774 FBVRDXLUUXITLY-UHFFFAOYSA-N 401.513 3.394 0 40 HGAB CCCNC(=O)Cn1nc2c(c1NC(=O)COc1ccc(C(C)C)cc1)CSC2 23138766 FLWUSFZGHFSEHR-UHFFFAOYSA-N 416.547 3.297 0 40 HGAB CN(C[C@@H]1COc2ccccc2O1)C(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1 24663597 KAULWXNBGBPHFG-RJRNSMGGSA-N 420.509 3.237 0 40 HGAB Cc1cc(N2CCN([C@@H](C)C(=O)Nc3ccc(Cl)cn3)CC2)nc(C(C)C)n1 24980371 WBQVMJHLIHYWPO-HNNXBMFYSA-N 402.930 3.106 0 40 HGAB COc1ccc([C@H]2CC(=O)Nc3c(-c4ccccc4)nsc32)cc1OCC(N)=O 35316399 SCJNSGRTKFWQNG-CQSZACIVSA-N 409.467 3.157 0 40 HGAB Cc1nccn1Cc1ccc(C(=O)NCc2cccc(CN3CCOCC3)c2)cc1 38831792 MMEPSOCMGDYPFK-UHFFFAOYSA-N 404.514 3.002 0 40 HGAB CN(C)[C@@H](CNC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1)c1cccs1 40103701 KNNCLEPVEIXMSL-ZDUSSCGKSA-N 403.476 3.169 0 40 HGAB Cc1nc(NC(=O)[C@]23CCC(=O)N2c2ccccc2C(=O)N3CC(C)C)sc1C 40266762 XSAVVWOHMIKHKV-NRFANRHFSA-N 412.515 3.334 0 40 HGAB CC[C@@H](NC(=O)[C@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1)c1ccc(C)cc1 44935958 NUHDKIIOZAGXPM-VQIMIIECSA-N 422.934 3.443 0 40 HGAB CN(C)[C@H](CNC(=O)[C@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1)c1ccsc1 48249081 QQTZSUVRGRUIJQ-FXAWDEMLSA-N 417.550 3.087 0 40 HGAB Cc1ccc2c(c1)N(Cc1ccc(Cl)cc1)N=C(C(=O)N1CCCC1)S2(=O)=O 49402676 GJEFORSSUPSYKR-UHFFFAOYSA-N 417.918 3.378 0 40 HGAB COc1ccc(N2C[C@H](C(=O)Nc3nnc(COc4ccccc4)s3)CC2=O)cc1 49551027 SAHPNTJPJQEDCB-CQSZACIVSA-N 424.482 3.117 0 40 HGAB Cc1ccccc1N1CCN([C@@H]2CCCN(C(=O)c3cn4ccsc4n3)C2)CC1 55342039 VQOOCOWMZXSSRS-GOSISDBHSA-N 409.559 3.131 0 40 HGAB COc1ccc(C(=O)NC(=S)Nc2ccc(Br)c(C)n2)c(OC)c1 57313780 OHDNSMIJTDSIHD-UHFFFAOYSA-N 410.293 3.297 0 40 HGAB Cc1ccc(-c2ccc(=O)n(CC(=O)N3CCN(c4ccc(F)cc4)CC3)n2)cc1C 57427507 OYZDJQBEODIYHH-UHFFFAOYSA-N 420.488 3.015 0 40 HGAB O=C(CN1CCN(C(=O)/C=C/c2ccc(F)c(Cl)c2)CC1)Nc1cccc(F)c1 57672242 FSFYUDLCXTYHSP-FNORWQNLSA-N 419.859 3.414 0 40 HGAB COc1ccc(OC)c(NC(=O)NC[C@@H](O)COc2cccc(C(F)(F)F)c2)c1 58304492 HBTOJUOHRCUAII-CYBMUJFWSA-N 414.380 3.284 0 40 HGAB C[C@@H](NC(=O)CN(C)C(=O)c1ccc(Br)s1)c1nc2ccccc2[nH]1 59368434 XGZDHTMEVMUNQA-SNVBAGLBSA-N 421.320 3.336 0 40 HGAB Cc1ccc(Sc2nccn3c(=O)n(CC(=O)Nc4ccccc4)nc23)c(C)c1 67255629 NMXORXTVUCUYRE-UHFFFAOYSA-N 405.483 3.298 0 40 HGAB CCCCN1C(=O)c2ccccc2[C@@H](C(=O)N2CCC(C(N)=O)CC2)C12CCCC2 71281588 QRJAVTUSKVAKPT-FQEVSTJZSA-N 411.546 3.063 0 40 HGAB CC(=O)Nc1ccc([C@H](O)CN2CC=C(c3cc4nc(C)cc(C)n4n3)CC2)cc1 72342780 WEVJDQVWBUVYIA-JOCHJYFZSA-N 405.502 3.127 0 40 HGAB Cn1cnc(S(=O)(=O)N2CCC[C@@H](c3cccc(-c4ccc(F)cc4)n3)C2)c1 72350311 JYDPPZKCWAWNOM-MRXNPFEDSA-N 400.479 3.190 0 40 HGAB O=C(c1cc([C@H]2CN(Cc3ccccc3)CCO2)nc2ccccc12)N1CCOCC1 72352711 LFRGRXHPWGXTQK-XMMPIXPASA-N 417.509 3.281 0 40 HGAB Cc1ccsc1CN1CCc2nc([C@@H]3CCCN3C(=O)[C@@H]3C[C@@H]3C)[nH]c(=O)c2C1 72398805 KPUFZVQSVZKBBN-DAYGRLMNSA-N 412.559 3.018 0 40 HGAB O=C(COc1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCC[C@H]2CCCC[C@H]21 78714049 HHQNYRHEEQODLX-WIYYLYMNSA-N 420.575 3.421 0 40 HGAB C[C@H](O)C[C@@H](CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)c1ccccc1 79105752 CZYUJOCTJSEQQN-ZFWWWQNUSA-N 403.422 3.418 0 40 HGAB CC(C)c1cc(C(=O)N2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)cc(=O)[nH]1 95461116 WEAKCRVMXSISMQ-ZDUSSCGKSA-N 402.882 3.038 0 40 HGAB COc1ccc2c(ccn2CCC(=O)N2CCC(c3nnc4ccccn34)CC2)c1 95478789 URYIQOPHIJZGCI-UHFFFAOYSA-N 403.486 3.489 0 40 HGAB CN(C)CCCn1cnc2cc(NC(=O)CCc3nc(-c4ccncc4)no3)ccc21 96117578 INWRLXBBEWRQOC-UHFFFAOYSA-N 419.489 3.004 0 40 HGAB C[C@H](NC(=O)CCCCCn1nnc2ccccc2c1=O)c1nc2ccccc2n1C 96230922 BYWHCTQSGHLOAY-INIZCTEOSA-N 418.501 3.116 0 40 HGAB C[C@@H](NC(=O)c1cc2cc(F)ccc2[nH]1)c1cc(O)n2nc(C3CCOCC3)cc2n1 100769415 XETOPASCTVUSGO-GFCCVEGCSA-N 423.448 3.440 0 40 HGAB COC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccc(Cl)cc1 113876727 ASRBLNSUPIVNTF-UHFFFAOYSA-N 418.696 3.471 0 40 HGAB COc1cccc(N(CCCC(=O)N[C@@H](C)c2ccc(F)cc2)S(C)(=O)=O)c1 113967290 SPYYXNKSAHFCQQ-HNNXBMFYSA-N 408.495 3.258 0 40 HGAB CC[C@H]1CCCCN1c1nc(=O)c2c([nH]1)NC(=O)C[C@H]2C(=O)Nc1ccc(C)cc1C 139120416 DCJCPKWMUWTVKI-JKSUJKDBSA-N 423.517 3.220 0 40 HGAB CCOC(=O)[C@@]1(N)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1cccc(Cl)c1 218529508 FFXNCYLNVYVEDP-BQFCYCMXSA-N 414.310 3.194 0 40 HGAB CC[C@H](C(=O)NCCN(C)c1ccccc1)N(c1cccc(Cl)c1)S(C)(=O)=O 219093797 XRPWPTVJJXIXOE-LJQANCHMSA-N 423.966 3.137 0 40 HGAB COc1ccccc1[C@H](C)NC(=O)[C@@H](C)N(c1ccc(C)c(C)c1)S(C)(=O)=O 222673983 BQKUZNLJIQGADU-DLBZAZTESA-N 404.532 3.344 0 40 HGAB CCc1ccc(OCCNC(=O)CN(c2cccc(Cl)c2C)S(C)(=O)=O)cc1 223681664 JWBKGBWMHGRZAF-UHFFFAOYSA-N 424.950 3.172 0 40 HGAB Cc1ccc(C)c(OCCNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)c1 224032363 ZYDRNOIXHUNBPT-UHFFFAOYSA-N 416.543 3.287 0 40 HGAB CCOc1ccccc1CN(C)C(=O)c1cccc(N2CCCCS2(=O)=O)c1 224513631 SUVUTJAFERMIMA-UHFFFAOYSA-N 402.516 3.288 0 40 HGAB C[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)N(c1ccccc1)S(C)(=O)=O 224863196 CAASQMUKQUHGGA-GFCCVEGCSA-N 402.394 3.378 0 40 HGAB CCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(OC)cc1 225008950 SRMKDZVIFQBSKD-QGZVFWFLSA-N 414.502 3.026 0 40 HGAB Cc1cc(O)n2nc([C@@H]3CCCN3C(=O)CC34C[C@H]5C[C@@H](CC(O)(C5)C3)C4)cc2n1 253600497 RKIQTYRKYJGIMP-BNLHITBZSA-N 410.518 3.128 0 40 HGAB CO[C@@H]1CN(CC(=O)Nc2cccc(-c3csc(C)n3)c2)CC[C@@]12CCCO2 257222673 DUGWAVPNCVMBHJ-CTNGQTDRSA-N 401.532 3.327 0 40 HGAB COc1ccc(-c2cnc3n2C[C@@]2(CCN(C(=O)c4csc(C)n4)C2)OC3)cc1 306123921 BALNDZYCKJCXSK-NRFANRHFSA-N 410.499 3.139 0 40 HGAB COCCNC(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)ccc1C 408601023 DQMADADMAHQNIB-UHFFFAOYSA-N 417.314 3.479 0 40 HGAB CC(=O)Nc1ccc(NC(=O)CCCN(c2cccc(Cl)c2)S(C)(=O)=O)cc1 408679159 ITKOJOSOXYWANW-UHFFFAOYSA-N 423.922 3.483 0 40 HGAB Cc1cccc(C(=O)N[C@H]2C(=O)N/[N+](=C\c3ccc(F)cc3)[C@H]2c2ccccc2)c1 409056449 GOKDFCIEXDHKQE-WXUIRWOTSA-O 402.449 3.150 0 40 HGAB O=C(CNS(=O)(=O)c1ccc(Cl)cc1)N1CCC(Cc2ccccc2)CC1 409145839 QFPYHPUGUFSUJQ-UHFFFAOYSA-N 406.935 3.100 0 40 HGAB COc1cccc(CN2C[C@@H]3CN(S(=O)(=O)Cc4cccc(C)c4)CC[C@H]32)c1 585107993 SMAUHBPXDGGIEU-IFMALSPDSA-N 400.544 3.040 0 40 HGAB O=C(NC[C@@H](c1ccco1)c1cccs1)C(=O)Nc1cccc(N2CCCC2=O)c1 585146682 BPHSOUMXMSRJTA-KRWDZBQOSA-N 423.494 3.355 0 40 HGAB Cc1cc(-n2c(C)cc(/C=C/C(=O)Nc3ccc(NS(C)(=O)=O)cc3)c2C)no1 11144449 WFYLGWBPPNYMGA-BJMVGYQFSA-N 414.487 3.414 0 40 HGAB CCOC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(=O)CN1CCOCC1 20449478 IJTWSVBXLTULQV-UHFFFAOYSA-N 402.516 3.479 0 40 HGAB O=S(=O)(c1ccc(Br)cc1)N1CCC(n2nnc3ccccc32)CC1 1380467 DXJKBDOKZRNHRD-UHFFFAOYSA-N 421.320 3.220 0 40 HGAB CCCNC(=O)NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1C 3468994 GFXWURZBZMISMV-UHFFFAOYSA-N 410.499 3.022 0 40 HGAB COc1cc(/C=C/C(O)=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)ccc1O 101367270 ONKSQDOZSQUXRP-MRASAHJLSA-N 414.801 3.163 0 40 HGAB Cc1occc1-c1nnc(SCC(=O)NCc2ccco2)n1C[C@@H]1CCCO1 4860670 DRXAVBSBDAWSRX-HNNXBMFYSA-N 402.476 3.027 0 40 HGAB CCNC(=O)c1cc(S(=O)(=O)Nc2cc(OC)c(Cl)cc2OC)c(C)s1 6680108 PUCXMUPUYYWASU-UHFFFAOYSA-N 418.924 3.278 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)CNc2ccc(C(C)=O)cc2)c1 7953040 IDDLDSJPZLURHW-UHFFFAOYSA-N 417.531 3.279 0 40 HGAB Cc1ccc(C(=O)NCCCN(C)C)cc1S(=O)(=O)Nc1cccc(C)c1C 10111455 VEXHLEADNOSUAT-UHFFFAOYSA-N 403.548 3.094 0 40 HGAB Cc1c(NS(C)(=O)=O)cccc1C(=O)Nc1ccccc1C(=O)N1CCCCC1 10112802 QYIVZXZMNPBHCY-UHFFFAOYSA-N 415.515 3.245 0 40 HGAB O=C(NC1Cc2ccccc2C1)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1 101621262 FHEXMMLNMOHPQU-HDICACEKSA-N 412.555 3.055 0 40 HGAB COc1ccc(C(=O)N[C@@H](C)CCc2ccccc2)cc1S(=O)(=O)N1CCCC1 8476170 ILTARPPEEKSCQO-KRWDZBQOSA-N 416.543 3.231 0 40 HGAB CSC[C@@H](C(=O)Nc1c(F)c(F)cc(F)c1F)N1C(=O)[C@H]2CCCC[C@H]2C1=O 102319291 XJARPZRUZVDKMN-SBMIAAHKSA-N 418.412 3.088 0 40 HGAB O=C(NCCOc1cccc2ccccc12)[C@H]1CCCN1S(=O)(=O)c1ccccc1 59461219 MJBLRRRWGRLBMO-OAQYLSRUSA-N 424.522 3.188 0 40 HGAB COc1ccc(CCN2CN(c3nccs3)CN(c3nccs3)C2)cc1OC 21122997 IMFGGAKZGDHEBT-UHFFFAOYSA-N 417.560 3.361 0 40 HGAB C[C@H](Sc1nc(CN2CCOCC2)nc2ccccc12)C(=O)NCc1ccccc1 23074494 UHWDZJXYHYJSLM-KRWDZBQOSA-N 422.554 3.259 0 40 HGAB O=C(NCCC(=O)N1CCN(Cc2ccccc2F)CC1)c1ccc2ccccc2c1 24479074 IRYZHUCZONNRIB-UHFFFAOYSA-N 419.500 3.443 0 40 HGAB COc1ccc(CN(CC(F)(F)F)C(=O)CN2C(=O)COc3ccccc32)cc1 25061596 FCKUVNSVQRMCSN-UHFFFAOYSA-N 408.376 3.012 0 40 HGAB O=C(NCCc1ccncc1)[C@@H]1C[C@@]2(CO1)CN(Cc1ccccc1)c1ccccc12 107275485 SBDXPRNKMLQPJC-AHWVRZQESA-N 413.521 3.487 0 40 HGAB O=C(c1cc(S(=O)(=O)Nc2ccc(Cl)c3cccnc23)c[nH]1)N1CCCC1 26538125 OTMBSLHOVATOQX-UHFFFAOYSA-N 404.879 3.253 0 40 HGAB NS(=O)(=O)c1ccc(NC(=O)c2ccc(COc3ccc4c(c3)CCC4)o2)cc1 27982748 UPHWGANFXFCNEV-UHFFFAOYSA-N 412.467 3.247 0 40 HGAB Cc1cc(I)ccc1NC(=O)[C@@H](C)NC(=O)OC(C)(C)C 3666666 ORXZKUYNBQXTGO-SNVBAGLBSA-N 404.248 3.451 0 40 HGAB COCCn1c(SCC(=O)N2CCN(c3ccccc3)CC2)nc2ccccc21 12550537 MKTNWTLMNPIJFI-UHFFFAOYSA-N 410.543 3.124 0 40 HGAB Cc1ncsc1CN1CCO[C@@]2(CCCC[C@@H]2NC(=O)Cc2cccs2)C1 306143407 YBRFTXFXZHVXIY-ICSRJNTNSA-N 405.589 3.386 0 40 HGAB COc1ccccc1NC(=O)N1CCN(CC(=O)Nc2ccccc2Cl)CC1 58158044 CHESZCAMCYRLKJ-UHFFFAOYSA-N 402.882 3.137 0 40 HGAB O=C(NCCS(=O)(=O)c1ccc(Cl)cc1)c1cccc(CN2CCCC2)c1 58411401 KJQHVNHZRXIGAZ-UHFFFAOYSA-N 406.935 3.140 0 40 HGAB COc1cc(OC)c(NC(=O)Cn2cnc3ccc(Cl)cc3c2=O)cc1Cl 10569153 QFJCEVRPNOBOPK-UHFFFAOYSA-N 408.241 3.359 0 40 HGAB O=C(COC(=O)c1ccccc1C(=O)c1ccccc1)NC(=O)NCc1ccccc1 3294025 OBMGFQVSMURXBS-UHFFFAOYSA-N 416.433 3.100 0 40 HGAB O=C(Cn1ncc(=O)c2ccccc21)N1CCC(c2nc3ccccc3s2)CC1 8280187 ZFSBPAAKCFZNKD-UHFFFAOYSA-N 404.495 3.412 0 40 HGAB NC(=O)N[C@@H](CC(=O)NC1CCN(Cc2ccccc2)CC1)c1ccc(Cl)cc1 12851989 DPKWGPFQVUYMIA-FQEVSTJZSA-N 414.937 3.220 0 40 HGAB O=C(Cc1csc(COc2ccc(F)cc2)n1)NC[C@H]1COc2ccccc2O1 12902047 YAYMQDXMHRIXIG-KRWDZBQOSA-N 414.458 3.360 0 40 HGAB Cc1ccc2oc(C(=O)Nc3ccccc3C(=O)NC[C@H]3CCCO3)cc(=O)c2c1 12917621 ZUUAVOBYATVNGL-OAHLLOKOSA-N 406.438 3.263 0 40 HGAB CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@H]2COc3ccccc3C2)ccc1C 12973408 LWLOMVDVRKTOHA-QGZVFWFLSA-N 402.516 3.215 0 40 HGAB Cc1ccc(C(NCCc2c[nH]c3ccccc23)=C2C(=O)N(C)C(=O)N(C)C2=O)cc1 6009032 AUZCBSLSGOJWBD-UHFFFAOYSA-N 416.481 3.070 0 40 HGAB CC(C)c1ccc(OCC(=O)N(Cc2ccccc2)[C@H]2CCS(=O)(=O)C2)cc1 5046850 LDTNBMGSKDFRCL-FQEVSTJZSA-N 401.528 3.405 0 40 HGAB Cc1noc(-c2ccnc(-n3cnc(C(=O)NCCc4ccc(Cl)cc4)c3)c2)n1 65250877 NAZUUBWXEUDJEW-UHFFFAOYSA-N 408.849 3.252 0 40 HGAB COCC(=O)N[C@H]1CCCC[C@@]12CN(Cc1cccc(-c3ccncc3)c1)CCO2 306125308 CMFDUUOJNKVWAL-LADGPHEKSA-N 409.530 3.025 0 40 HGAB O=C(CCCCCNC(=O)N1CCn2c1nc1ccccc12)NCc1ccccc1 6672388 AIUHCXQGVGBSPE-UHFFFAOYSA-N 405.502 3.443 0 40 HGAB O=C(c1ccc(OC(F)F)cc1)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 14693558 LISWFACGOGZSRJ-XNTDXEJSSA-N 422.453 3.047 0 40 HGAB COc1ccccc1CNc1ncc2c(=O)n(-c3ccc(C)cc3C)c(O)nc2n1 67263924 JFYNSSDPJXMXEZ-UHFFFAOYSA-N 403.442 3.119 0 40 HGAB O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1C[C@H](O)COc1ccccc1F 7195859 AWRYUBGQFVBZIP-IBGZPJMESA-N 420.440 3.061 0 40 HGAB O=C(N[C@]1(C(F)(F)F)N=C(c2ccccc2)N(CCc2ccccc2)C1=O)C1CC1 19939456 RIMPKLDZJGPOIL-OAQYLSRUSA-N 415.415 3.303 0 40 HGAB CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)NC[C@@H]1CCCN1Cc1ccccc1 89791046 IXXGBLUGLVDKAX-VXKWHMMOSA-N 411.521 3.361 0 40 HGAB CC(C)(C)OC(=O)CN1CCC[C@H]1COC(=O)c1cc(C2CC2)nn1C(C)(C)C 72310835 XYPJHVFJJOYACL-INIZCTEOSA-N 405.539 3.478 0 40 HGAB COC(=O)c1nc(NC(=O)[C@@H]2CCCN(c3ncccn3)C2)sc1-c1ccccc1 79485502 XCJNASXAWLXMCZ-OAHLLOKOSA-N 423.498 3.242 0 40 HGAB COCCn1nnnc1[C@H](c1ccc(C)cc1)N1CCN(c2cccc(C)c2C)CC1 20140230 QBIHITIMWCLEGF-QHCPKHFHSA-N 420.561 3.156 0 40 HGAB COc1ccc(NC(=O)COc2ccc(S(=O)(=O)N3CCCC3)cc2Cl)cc1 409390273 KKPAQLWBRFWGSY-UHFFFAOYSA-N 424.906 3.151 0 40 HGAB Cc1nc(N2CCC(C)CC2)ncc1-c1cc(=O)[nH]c(NCCc2ccccc2)n1 39383710 MMNVODPUMLUOPB-UHFFFAOYSA-N 404.518 3.426 0 40 HGAB O=C(CCC1CCCC1)N1CCN(C(=O)c2cc(Cl)c3c(c2)OCCO3)CC1 30393438 YTPORZQSMMILDX-UHFFFAOYSA-N 406.910 3.366 0 40 HGAB Cc1cc(I)cnc1NC(=S)NC(=O)c1ccc(F)cc1 32125200 DFDYSFDVWDLKSR-UHFFFAOYSA-N 415.231 3.261 0 40 HGAB CCCN1CCN(C(=O)COC)[C@H](Cc2ccccc2-c2ccccc2OC)C1=O 72351495 PKZWWQWEVAPASG-OAQYLSRUSA-N 410.514 3.001 0 40 HGAB O=C1C[C@H](c2ccccc2)Cc2[nH]c(=O)c(C(=O)Nc3ccc4c(c3)OCCO4)cc21 35506365 CUVGZWQXUQACGV-OAHLLOKOSA-N 416.433 3.311 0 40 HGAB CCNCc1ccc(OCC(=O)Nc2ccc(C(=O)OCC)cc2)c(OCC)c1 36611754 RCIUISHPEGFEJN-UHFFFAOYSA-N 400.475 3.389 0 40 HGAB CCOC[C@@]1(N)[C@@H](S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1ccc(Br)cc1 218232750 QTBIGFUQEKULKR-FHWLQOOXSA-N 424.360 3.431 0 40 HGAB COc1ccc(Cl)cc1C(=O)NC(=S)Nc1ccccc1N1CCN(C)CC1 33778157 XCPQQNWRDFRROJ-UHFFFAOYSA-N 418.950 3.227 0 40 HGAB Cc1ccc(CN2CCC(C(=O)Nc3cccc(N(C)S(C)(=O)=O)c3)CC2)cc1 39745631 GFTLJIFVJQYGIN-UHFFFAOYSA-N 415.559 3.242 0 40 HGAB CCc1nccn1CCC(=O)N1CC[C@@H](c2cc(-c3ccc(N)nc3)cc(C)n2)C1 72374672 CWZXDOZYGXIYNG-GOSISDBHSA-N 404.518 3.199 0 40 HGAB CCCc1ccc(OCCNC(=O)[C@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)cc1 224007358 PKVZIRXKMXBENH-INIZCTEOSA-N 422.522 3.128 0 40 HGAB COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)N[C@@H](C)c1ccccc1C 224512912 WMIPXGKMBDDJKA-INIZCTEOSA-N 404.532 3.064 0 40 HGAB CC[C@@H](NC(=O)[C@@H](C)Oc1ccc(N(C)S(C)(=O)=O)cc1)c1ccc(C)cc1 224749836 GPTXEZMHRJNCLE-OXQOHEQNSA-N 404.532 3.426 0 40 HGAB CCc1ccc(N(CCCC(=O)NCCc2ccc(OC)cc2)S(C)(=O)=O)cc1 222641164 ZWZGBOUGHAMQSJ-UHFFFAOYSA-N 418.559 3.163 0 40 HGAB CS(=O)(=O)Nc1ccc(C(=O)NCCOc2ccccc2Cl)cc1Cl 224411950 NINVNZGONQFHLC-UHFFFAOYSA-N 403.287 3.174 0 40 HGAB Cc1cc(NC(=O)[C@@H]2CC(=O)N(CCc3ccccc3)C2)ncc1Br 40400632 XWECYFZOAUWDFG-OAHLLOKOSA-N 402.292 3.182 0 40 HGAB CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(O)cc1 223664016 MKARHNAGBCBCPG-RTWAWAEBSA-N 422.510 3.114 0 40 HGAB S=C1N[C@@H](c2ccccn2)[C@@H](c2ccc[nH]2)N1c1ccc(N2CCOCC2)cc1 223920763 AYVLXNQGIMOYHF-LEWJYISDSA-N 405.527 3.423 0 40 HGAB CCN(c1ccc(C(=O)NCCOc2cccc3ccccc23)cc1)S(C)(=O)=O 223542047 GQRASSKTFXOOAL-UHFFFAOYSA-N 412.511 3.435 0 40 HGAB COc1ccc(C(=O)N2C[C@@H](C(=O)NCc3ccccc3)Oc3ccccc32)cc1 222947808 LUSYVZMZHIADOU-QFIPXVFZSA-N 402.450 3.419 0 40 HGAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1Cc1cccnc1 223606362 WSOZLGTVHXNQEQ-VXKWHMMOSA-N 421.570 3.298 0 40 HGAB CC[C@@H](NC(=O)[C@@H]1CCN(S(C)(=O)=O)c2ccccc2O1)c1ccc(C)cc1 44935981 JLBXWXWVIAKLMG-XLIONFOSSA-N 402.516 3.180 0 40 HGAB COCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)COc1ccccc1Cl 222724481 ODMLLTJRIHSHDL-KRWDZBQOSA-N 418.921 3.289 0 40 HGAB CCc1ccc(CC)c(CNC(=O)[C@@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)c1 223118976 WTTRQVFMPQFEKI-OAHLLOKOSA-N 406.523 3.421 0 40 HGAB CCCOC1(C(=O)Nc2ccc(OCC(=O)N3CCOCC3)cc2)CCC(C)CC1 225668320 UZYIKRHARBKXPS-UHFFFAOYSA-N 418.534 3.238 0 40 HGAB CCC(CC)C(=O)N1CC[C@H](c2nc(C)c(CC(=O)N3CCCCC3)c(C)n2)C1 257267541 MHSHYYCNTXTHHY-IBGZPJMESA-N 400.567 3.401 0 40 HGAB O=S(=O)(c1ccc2c(c1)OCCO2)N1CCC(CSc2ccccn2)CC1 90608069 VVQHCNKKTAKVES-UHFFFAOYSA-N 406.529 3.046 0 40 HGAB COC(=O)c1ccccc1NC(=O)CSc1nccc(N2C[C@@H](C)C[C@@H](C)C2)n1 90610135 WHIOSBFBVHPGIB-GASCZTMLSA-N 414.531 3.476 0 40 HGAB Cn1c(C2CCN(C(=O)NC[C@H]3COc4ccccc4O3)CC2)nc2ccccc21 604418712 OLTIXIIQZCMFJH-KRWDZBQOSA-N 406.486 3.302 0 40 HGAB Cc1ccc2ncc(CN3CCC4(CC3)CC(NS(=O)(=O)c3ccccc3)C4)n2c1 585103017 KXVIGNJSHAKWIC-UHFFFAOYSA-N 424.570 3.366 0 40 HGAB C[C@H]([C@@H](O)CC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 97978943 IPSHXEXQGICLQN-DAZIQIMGSA-N 408.579 3.449 0 40 HGAB in-vitro C[C@@H](C(=O)NC1CCN(CC2(c3ccccc3F)CCCC2)CC1)N1CCCC1=O 72393485 LAKIIKGERHQENS-SFHVURJKSA-N 415.553 3.229 0 40 HGAB O=C1N[C@@]2(COC3(CCN(C(=O)C4CCCC4)CC3)C2)Nc2ccc(Cl)cc21 72325497 ZYWHRFYUYTYFKG-NRFANRHFSA-N 403.910 3.163 0 40 HGAB C[C@H]1CCc2nc(C(=O)N[C@@H]3CCc4nc(-c5ccc(F)cc5F)cn4C3)cn2C1 1615613457 VWMIRMQEBUATKD-DZGCQCFKSA-N 411.456 3.352 0 40 HGAB CC[C@@H]1CN(C(=O)Nc2cccc(Cl)c2)[C@H](CO)[C@@H]1CN1CCC[C@@H]1COC 1772595121 ZOGOYPXCEQNXHD-HUYLIWGRSA-N 409.958 3.302 0 40 HGAB Cc1ccc(C)c(C(=O)N2CCN(c3ccc(-n4nc(C)c(C)c4C)nn3)CC2)c1 13009026 COKLTFHHJWXXNK-UHFFFAOYSA-N 404.518 3.167 0 40 HGAB O=c1ccc(-c2cccs2)nn1CC1(O)CCN(Cc2cccc(F)c2F)CC1 13265736 UOWZHUSEFUMORN-UHFFFAOYSA-N 417.481 3.277 0 40 HGAB CC[C@@H](C(=O)Nc1cc(C(=O)OC)ccc1C)N(c1ccc(C)cc1)S(C)(=O)=O 13713473 LMVIJTCDXUHIGM-IBGZPJMESA-N 418.515 3.273 0 40 HGAB Cc1ccc(C(=O)Nc2ccc(C(C)C)cc2)cc1S(=O)(=O)N1CCOCC1 15509434 OQGKLXYEZHBETC-UHFFFAOYSA-N 402.516 3.392 0 40 HGAB CC(C)NC(=O)N1Cc2nc[nH]c2C[C@H]1c1nc(-c2ccc(F)c(Cl)c2)no1 15707314 HALVGEPXWPMBOJ-HNNXBMFYSA-N 404.833 3.470 0 40 HGAB biogenic,in-vitro O=C(Nc1ccccc1)[C@@H]1[C@@H]2C=C[C@@]3(CN(CCc4c[nH]c5ccccc45)C(=O)[C@@H]13)O2 15894262 YEVPHJIBDVTKJC-OUMCCJGNSA-N 413.477 3.131 0 40 HGAB biogenic C[C@H](NC(=O)Nc1cccc(C(F)(F)F)c1)C(=O)N[C@H](Cc1ccccc1)C(=O)O 16322284 QYGCMQGAKLYZEY-BLLLJJGKSA-N 423.391 3.028 0 40 HGAB Cc1cc(-c2cnc(N3CCCC3)nc2[C@@H]2CCCN(C(=O)c3ccccn3)C2)on1 19122151 CGWNZHFKWXJTOT-QGZVFWFLSA-N 418.501 3.455 0 40 HGAB O=C(N[C@H]1CCCOC1)c1cc(C2CCN(Cc3ccc(F)c(F)c3)CC2)no1 19292874 NHJWJHJETXGPMU-INIZCTEOSA-N 405.445 3.241 0 40 HGAB CCN1CCN(C(=O)c2nccn2C)C[C@H](Cc2ccc(-c3ccccc3)cc2)C1=O 19527337 VREMVAMPBJXYHY-QFIPXVFZSA-N 416.525 3.250 0 40 HGAB Cc1cc(C(=O)NCc2ccc(CN3CCOCC3)cc2)c2cnn(C(C)C)c2n1 19569494 WXIMTJSGHDEQKQ-UHFFFAOYSA-N 407.518 3.083 0 40 HGAB Cc1nnsc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2scnc2C)CC1 19746359 CVLXYTAUFBOBMW-OAHLLOKOSA-N 419.576 3.159 0 40 HGAB Cc1nc([C@H]2CCCN2C(=O)C2CCN(C)CC2)ncc1C(=O)Nc1ccccc1 19765851 XRDQDRSKENOXLH-HXUWFJFHSA-N 407.518 3.043 0 40 HGAB O=C(Cn1cncn1)N1CCCCCCOc2ccccc2Oc2ncccc2C1 643575862 MGUNPXDXGWCYFU-UHFFFAOYSA-N 407.474 3.447 0 40 HGAB COc1ccccc1N1C(=O)N(c2ccc(C)c(Cl)c2)[C@H]2CS(=O)(=O)C[C@@H]21 4387448 RTQBKCNQXHHLSI-IRXDYDNUSA-N 406.891 3.269 0 40 HGAB O=C(COc1ccc(Cl)cc1)Nc1ccc2c(c1)N(C(=O)[C@@H]1CCCO1)CC2 13695509 PVQMGAZJLKLLDY-IBGZPJMESA-N 400.862 3.426 0 40 HGAB COC(=O)Nc1ccc(S(=O)(=O)NC[C@@H](O)c2ccc(-c3ccco3)cc2)cc1 585148015 MEKQUCCVWQDIST-GOSISDBHSA-N 416.455 3.137 0 40 HGAB Cc1ccc(N2C(=O)[C@@H]3[C@H]4c5ccccc5C=NN4[C@@H](C(=O)C(C)(C)C)[C@@H]3C2=O)cc1 248085653 FFSUGNKQQRZUEM-DOIPELPJSA-N 415.493 3.489 0 40 HGAB Cc1ccc(-c2cnc(-c3ccccc3C(=O)NC[C@H]3CCS(=O)(=O)C3)o2)cc1 40072279 AMYYQCPJNCRBLM-MRXNPFEDSA-N 410.495 3.482 0 40 HGAB Cc1nc(NC2CCN(CC(=O)N3CCCC3)CC2)c2c3c(sc2n1)CCCC3 40135244 CDDNJFNGTDSJTR-UHFFFAOYSA-N 413.591 3.377 0 40 HGAB COc1ccc([C@@H]2CC(=O)c3cnc4[nH]n(-c5nc(C)cc(C)n5)c(=O)c4c3C2)cc1 100137671 LANIAKUPFZZNJA-HNNXBMFYSA-N 415.453 3.042 0 40 HGAB COc1ccc(NC(=O)CN(C)S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 664441 PLUZDVFMTAGCGX-UHFFFAOYSA-N 403.287 3.261 0 40 HGAB CCc1ccc(CN(C(=O)/C=C/c2ccc(OC)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 2234239 TWBQEHXITKHGPX-QYFOZDBKSA-N 413.539 3.487 0 40 HGAB O=C1CN(C(=O)COC(=O)c2cccc(OCc3ccccc3)c2)c2ccccc2N1 2635256 KBVNFOTZBYVYFB-UHFFFAOYSA-N 416.433 3.408 0 40 HGAB O=S(=O)(Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1cccc(F)c1 3334834 OQPYYPRQEGSRGD-UHFFFAOYSA-N 412.508 3.191 0 40 HGAB COc1ccc(-c2nnc(SCC(=O)NC(=O)NC(C)(C)C)n2CC(C)C)cc1 3494743 HEYZHKONYGXPMV-UHFFFAOYSA-N 419.551 3.326 0 40 HGAB C[C@@H](CCc1ccccc1)NC(=O)[C@H](C)Sc1nnc(-c2cccs2)n1N 4537050 BPMKYVXPMGAZBW-KBPBESRZSA-N 401.561 3.339 0 40 HGAB O=C(c1cccs1)N1CCC(NC2=CC(=O)N(c3ccc(Cl)cc3)C2=O)CC1 4632298 MXBWHMCWDVKHEO-UHFFFAOYSA-N 415.902 3.053 0 40 HGAB COc1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@H]2c2cc(OC)ccc2OC)cc1 4716115 FHXAJTXELMGKQO-FQEVSTJZSA-N 421.457 3.232 0 40 HGAB Cc1ccc(NC(=O)CNC(=O)[C@@H]2Cc3ccccc3CN2C(=O)OC(C)(C)C)cc1 5302631 ZREGNZVNWACHHI-FQEVSTJZSA-N 423.513 3.412 0 40 HGAB CCCn1c(S[C@H](C)c2nc3sc4c(c3c(=O)[nH]2)CC[C@H](C)C4)n[nH]c1=O 5983445 OQUDRUAGJPTALS-VHSXEESVSA-N 405.549 3.258 0 40 HGAB CCOc1cc([C@H]2[C@H]3CCCC[C@]3(O)CCN2CC(=O)N2CCCCC2)ccc1O 6553950 NHZZGNAMAAEEJA-YGOYIFOWSA-N 416.562 3.472 0 40 HGAB CC1CCN(S(=O)(=O)c2ccc(C(=O)NCCSCc3ccco3)cc2)CC1 6946414 DCARDAQNWIVLDU-UHFFFAOYSA-N 422.572 3.363 0 40 HGAB CN(CC(=O)NC1CC1)C(=O)CSc1ncnc2sc(-c3ccccc3)cc12 7111339 DAGVPIQZXZWDOF-UHFFFAOYSA-N 412.540 3.187 0 40 HGAB CC(C)CNC(=O)NC(=O)CSc1nnc(-c2cc3c(s2)CC[C@@H](C)C3)o1 7130616 SIOHECKLFBYBOA-LLVKDONJSA-N 408.549 3.497 0 40 HGAB CC[C@H](C)Cc1c(C)sc2nc(SCC(=O)NC[C@H]3CCCO3)[nH]c(=O)c12 7672482 BTXNQMPLPUOTSP-WCQYABFASA-N 409.577 3.269 0 40 HGAB COc1ccc([C@]2(C)NC(=O)N(CC(=O)c3ccc(Cl)s3)C2=O)cc1OC 7814412 UYHZHDOBJFNASI-SFHVURJKSA-N 408.863 3.069 0 40 HGAB Cc1cc(C(=O)CSc2nnnn2C2CC2)c(C)n1Cc1ccc2c(c1)OCO2 8232144 PUPOSWRLFDXHAZ-UHFFFAOYSA-N 411.487 3.178 0 40 HGAB CCCCn1nnnc1CSc1nnc(-c2ccncc2)n1-c1ccc(OC)cc1 9377653 JQOYBFQKCBMODA-UHFFFAOYSA-N 422.518 3.417 0 40 HGAB Cn1ccnc1SCC(=O)Nc1ccc(C(=O)N[C@H]2CCOc3ccccc32)cc1 9377863 SYXZNULBXJCAOL-SFHVURJKSA-N 422.510 3.405 0 40 HGAB Cc1ccc(-c2ccc(N3CCN(C(=O)c4ccc5c(c4)OCO5)CC3)nn2)c(C)c1 11695303 UOJGDJIPMCMELB-UHFFFAOYSA-N 416.481 3.452 0 40 HGAB CCN(CC)C(=O)Cn1c([C@@H]2CC(=O)N(c3ccccc3OC)C2)nc2ccccc21 12062138 ISARWXUTAGOFAF-QGZVFWFLSA-N 420.513 3.434 0 40 HGAB O=C(N[C@@H]1CCCc2c1cnn2-c1ccc(F)cc1)[C@H]1CCCN1C(=O)C(F)(F)F 12146039 DRKWQLPTHGXUNL-NVXWUHKLSA-N 424.398 3.058 0 40 HGAB COc1ccc(C2(NC(=O)Cn3ncn4c(cc5ccsc54)c3=O)CCCC2)cc1 12146461 QEPOKJJGWBQTPP-UHFFFAOYSA-N 422.510 3.305 0 40 HGAB COc1ccc(OC)c([C@@H]2c3cccn3CCN2S(=O)(=O)c2ccc(F)cc2)c1 12361717 PYMHRENPALEEOY-OAQYLSRUSA-N 416.474 3.438 0 40 HGAB C[C@H](NC(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1)c1ccc(-n2ccnc2)cc1 12535094 BQFCFTZINNWRMY-GHTZIAJQSA-N 402.498 3.141 0 40 HGAB CCN(CC)S(=O)(=O)c1cc(C(=O)NCc2ccc(Cl)cc2Cl)n(C)c1 12736531 CNLAOCAZDWFXPE-UHFFFAOYSA-N 418.346 3.292 0 40 HGAB CC(C)CCN(C(=O)CC1CCCC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 12754838 DVIQWAIDYUEUFC-UHFFFAOYSA-N 412.534 3.127 0 40 HGAB O=C(O)[C@H]1CCCN(C(=O)COc2ccc3c(-c4ccccc4)cc(=O)oc3c2)C1 12896610 AERPIHMEUNXTLY-INIZCTEOSA-N 407.422 3.162 0 40 HGAB biogenic COc1ccc(F)cc1COC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1 12920119 YWRUXAGDZVDPAK-UHFFFAOYSA-N 419.430 3.263 0 40 HGAB CNC(=O)c1ccc(CN(C(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)C2CC2)cc1 13012625 RYDYKJYVSUISGK-KPKJPENVSA-N 424.497 3.276 0 40 HGAB COc1cc(NC(=O)CCN2C(=O)CSc3ccccc32)cc(OC)c1OC 13019386 VTPLRMRWWHPGNY-UHFFFAOYSA-N 402.472 3.180 0 40 HGAB CCN(c1ccc(OCC(=O)N2CCCCC2)cc1)S(=O)(=O)c1ccccc1 13585004 JVJDWSAJESHYIY-UHFFFAOYSA-N 402.516 3.293 0 40 HGAB C[C@H](OC[C@H](O)CN(C)Cc1nc(=O)c2ccccc2[nH]1)c1ccc(Cl)cc1 13683055 KTOLXAREESXCQJ-WMLDXEAASA-N 401.894 3.147 0 40 HGAB O=C(NCc1ccccn1)c1ccc2nc(NS(=O)(=O)c3ccccc3)sc2c1 13692602 HGQCUPRQAOBYEX-UHFFFAOYSA-N 424.507 3.422 0 40 HGAB C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(OC(F)F)cc1 14230901 DFFFYGPEZZKCQZ-SNVBAGLBSA-N 404.822 3.247 0 40 HGAB Cc1c(Cl)cccc1NC(=O)CNC(=O)[C@H](C)NC(=O)OCc1ccccc1 14246141 SGVZEVCBSGORRY-AWEZNQCLSA-N 403.866 3.018 0 40 HGAB CCCS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2nc3ccc(F)cc3s2)n1 16753808 MSLLCIXSOIPRMD-UHFFFAOYSA-N 414.871 3.315 0 40 HGAB CCCCOC(=O)[C@H](C)OC(=O)c1cccc(C(=O)O[C@H](C)C(=O)OCCCC)c1 17353453 ONQBNAZNJBHXIL-IYBDPMFKSA-N 422.474 3.464 0 40 HGAB CCn1c(CNC(=O)[C@@H]2CCCN2c2ncnc3ccccc23)nc2ccccc21 19524341 BKKYJANKRSTCAI-FQEVSTJZSA-N 400.486 3.285 0 40 HGAB COc1cc(CN2CCC(N3CCN(C)CC3)CC2)ccc1OCc1ccccc1 19889861 RCBGFIYSSQBLJL-UHFFFAOYSA-N 409.574 3.486 0 40 HGAB COc1cccc(OC)c1C(=O)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1 20049213 GOCCXBJJFGHJDU-UHFFFAOYSA-N 413.455 3.152 0 40 HGAB Cc1nc(-c2cccnc2)sc1C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 22237546 SXFPXBVAHKUPRH-UHFFFAOYSA-N 422.510 3.200 0 40 HGAB O=C(/C=C/c1nc2ccccc2s1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 23873093 IWGVWNMCPWDEBW-BQYQJAHWSA-N 407.495 3.383 0 40 HGAB COC(=O)c1cc(NS(=O)(=O)c2ccc(Br)s2)c(F)cc1F 24428341 JTAMZBPSGVOZAH-UHFFFAOYSA-N 412.233 3.376 0 40 HGAB CC(=O)c1ccc(N2CCN(Cn3nnn(C4CCCCC4)c3=S)CC2)cc1 24716336 AULTZOWZINIEAK-UHFFFAOYSA-N 400.552 3.297 0 40 HGAB Cc1ccc(NC(=O)[C@H](C)N(C)CC(=O)N2c3ccccc3NC(=O)C[C@H]2C)cc1 24763350 TXEINPWGEWCKEY-SJORKVTESA-N 408.502 3.018 0 40 HGAB O=C1c2ccccc2C(=O)N1C[C@H]1CN(Cc2ccc(Cl)c(Cl)c2)CCO1 26522440 GYQBANNDJUCMNR-CQSZACIVSA-N 405.281 3.490 0 40 HGAB Cc1cc(C(=O)Nc2cc(C(N)=O)ccc2N2CCCC2)c(C)n1-c1cccnc1 30587011 WLWLQXXMGHIBMC-UHFFFAOYSA-N 403.486 3.441 0 40 HGAB CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)c(C)c1 30858607 RKRMFOPIBWHVKB-UHFFFAOYSA-N 402.472 3.099 0 40 HGAB O=C(Nc1cc(Cl)ccc1C(=O)NCCC(=O)N1CCCC1)c1ccc(F)cc1 32721351 PFTDFCSNHRBEFN-UHFFFAOYSA-N 417.868 3.474 0 40 HGAB COc1ccc(OC)c(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(C)cc3)C2)c1 33546325 XWEPZDJUEKOVJN-MRXNPFEDSA-N 418.515 3.052 0 40 HGAB COc1ccc([C@@H]2CC(O)=Nc3nc(N4CCCCC4)sc32)cc1OCC(N)=O 36366874 AJNHIFUURWIGLZ-ZDUSSCGKSA-N 416.503 3.130 0 40 HGAB O=C(CN1C(=O)NC2(CCCC2)C1=O)Nc1cc(C2CCCC2)nn1-c1ccccc1 40020089 KKPZNBCUUWAFPR-UHFFFAOYSA-N 421.501 3.333 0 40 HGAB CC(=O)Nc1cc(C)nn1-c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2F)cc1 40088143 GVWIQNQDQQZOSA-UHFFFAOYSA-N 424.404 3.357 0 40 HGAB CC(=O)c1cccc(NC(=O)[C@@]23CCC(=O)N2c2ccccc2C(=O)N3CC(C)C)c1 40313163 PNRNUGILPZZERK-XMMPIXPASA-N 419.481 3.463 0 40 HGAB biogenic CC[C@@H](NC(=O)[C@H](C)N(c1ccc(OC)cc1)S(C)(=O)=O)c1ccc(C)cc1 44848381 HGZVEXJTTADSLK-OXJNMPFZSA-N 404.532 3.426 0 40 HGAB COc1ccc([C@@H](C)NC(=O)c2ccc(NS(C)(=O)=O)c(Cl)c2)cc1OC 44880041 WVHBSUAJTDOXBY-LLVKDONJSA-N 412.895 3.220 0 40 HGAB CC(C)N(Cc1nnc(-c2ccccc2)o1)C(=O)CCN1C(=O)COc2ccccc21 48302804 DKYLJYSZZJPCNR-UHFFFAOYSA-N 420.469 3.289 0 40 HGAB C[C@@H](C(=O)N1CCCCC1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 48811575 PTUMNGXYLUPYOQ-ZDUSSCGKSA-N 404.864 3.277 0 40 HGAB CCc1cccc(NC(=O)Cn2nc3c(Oc4ccccc4C)nccn3c2=O)c1 49008572 ZQBVHUIZNNWBQQ-UHFFFAOYSA-N 403.442 3.193 0 40 HGAB O=S(=O)(c1cccn2cnnc12)N(Cc1ccc(F)cc1)c1ccc(F)cc1 49404911 FYIIGPMZBPDIIU-UHFFFAOYSA-N 400.410 3.403 0 40 HGAB COc1ccc(-c2ccc(=O)n(CC(=O)Nc3cc(F)c(F)c(F)c3)n2)c(F)c1 49551750 XDUGKZIHKZAEHI-UHFFFAOYSA-N 407.323 3.114 0 40 HGAB COc1ccc(-n2ccc(C(=O)N3CCC(C(=O)c4ccc(O)cc4)CC3)n2)cc1 55166548 NAOVMWOPUSVBJG-UHFFFAOYSA-N 405.454 3.322 0 40 HGAB COCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)c2[nH]c3ccc(Cl)cc3c2Cl)C1 57322663 IEYIZXJCQYKZGT-NEPJUHHUSA-N 412.317 3.478 0 40 HGAB Cc1ccc(-c2noc(-c3cccn(CC(=O)NCc4ccc(F)cc4)c3=O)n2)cc1 57511272 WEYHWVHTKFWHBB-UHFFFAOYSA-N 418.428 3.329 0 40 HGAB COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)N[C@H]2CCCc3ccccc32)cc1 58144618 CEBRZFHCMBBUIU-YWZLYKJASA-N 417.531 3.199 0 40 HGAB Cc1ccc(NC(=O)Cn2ccn(-c3cc(F)ccc3C)c(=O)c2=O)cc1Cl 67320221 VNDFMACPUFJZGA-UHFFFAOYSA-N 401.825 3.047 0 40 HGAB Cn1cc([C@@H](C(=O)Nc2cccc(OCc3ccc(F)cc3)c2)N2CCOCC2)cn1 72312746 FDFISJDZWVZKFF-QFIPXVFZSA-N 424.476 3.150 0 40 HGAB CCn1ncc(C(=O)N2CC[C@H](n3nc(-c4cccs4)ccc3=O)[C@H](C)C2)c1C 72335401 YXGPZHRVOLNYCW-KDOFPFPSSA-N 411.531 3.220 0 40 HGAB COc1ccccc1CN1C[C@@H](C(=O)Nc2nnc(C3CCCC3)s2)CC1=O 72406288 ARZVQHMPZSTSDS-HNNXBMFYSA-N 400.504 3.192 0 40 HGAB Cc1cc(O)cc(=O)n1[C@@H](C)C(=O)N[C@H](c1ccccc1)c1nc2ccccc2n1C 79056537 YJAOABVOGUSBBE-KSFYIVLOSA-N 416.481 3.216 0 40 HGAB O=c1occ(CN2CCCCC2)c(O)c1CN1CCN(C/C=C/c2ccccc2)CC1 79502109 YMIDTNJAMKLKTB-JXMROGBWSA-N 423.557 3.162 0 40 HGAB CS(=O)(=O)Cc1ccc(NC(=O)C[C@@H]2Sc3ccc(Cl)cc3NC2=O)cc1 83984715 HAHQPUKRAYKIJL-INIZCTEOSA-N 424.931 3.326 0 40 HGAB Cc1cc(C(=O)N2CC[C@H]3[C@@H](CCC(=O)N3C3CC3)C2)c(C)n1Cc1ccccn1 89577949 AEEMXFTYNCXEOX-AVRDEDQJSA-N 406.530 3.164 0 40 HGAB Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)N3CCCC[C@@H]3c3nc[nH]n3)c12 95456566 NCSYMXYOJFREBL-GOSISDBHSA-N 401.474 3.429 0 40 HGAB Nc1cc(=O)nc(SCC(=O)Nc2cccc(Cl)c2)n1CCc1ccccc1 95545637 VCHOLFBDTNNTQV-UHFFFAOYSA-N 414.918 3.452 0 40 HGAB CCOC(=O)C1CCN(C(=O)CCCN2C(=O)CC(C)(C)c3ccccc32)CC1 96183663 MNWBOYRPURVRRQ-UHFFFAOYSA-N 400.519 3.283 0 40 HGAB O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)N[C@H]1C[C@@H]2CC[C@@H]1C2 100412283 YEUOBCOAYKVNPR-QINHECLXSA-N 402.491 3.326 0 40 HGAB COc1ccc(NC(=O)[C@H](CC(C)C)N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c(OC)c1 102813882 REUGZLWCFKOKGM-BQFCYCMXSA-N 400.475 3.008 0 40 HGAB Cc1ccc(S(=O)(=O)N(CC(=O)N2CCCC2)Cc2cccc(Cl)c2)cc1 144594778 JBMKDHVTRYNEIY-UHFFFAOYSA-N 406.935 3.462 0 40 HGAB CN(Cc1ccccc1)C(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O 165947480 ZBBCIEPIDUCMRS-UHFFFAOYSA-N 401.315 3.418 0 40 HGAB CCOc1ccc(NC(=O)CN(c2cccc(OC(C)C)c2)S(C)(=O)=O)cc1 220101119 WUEGQCDLCTYSDL-UHFFFAOYSA-N 406.504 3.277 0 40 HGAB COc1ccccc1CCCNC(=O)CCCN(c1ccccc1C)S(C)(=O)=O 222559181 UEKCVUHIOFLCGV-UHFFFAOYSA-N 418.559 3.299 0 40 HGAB Cc1csc(NS(=O)(=O)c2ccc(O[C@H](C)C(=O)NC3CCCCC3)cc2)n1 223255659 BSSMQIOTEUKACK-CQSZACIVSA-N 423.560 3.469 0 40 HGAB O=C(O)c1ccccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCO)o1 223593171 RHHOOODGKJRMNF-RBUKOAKNSA-N 409.467 3.005 0 40 HGAB COc1cccc(-c2noc(CNC(=O)c3ccc(Cn4ccnc4C)cc3)n2)c1 225299925 YTNVMAXVIRVLRW-UHFFFAOYSA-N 403.442 3.228 0 40 HGAB COc1ccc2c(c1)C(=O)CC1(CCN(S(=O)(=O)Cc3ccccc3F)CC1)O2 225821459 YJZUOAUGTXVIMK-UHFFFAOYSA-N 419.474 3.164 0 40 HGAB O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]12)NC1(c2ccc(F)cc2)CCCC1 247852344 HQOVSXMDUKMUBF-JENIJYKNSA-N 405.539 3.437 0 40 HGAB O=C1NC2(CCN(CCc3ccccc3)CC2)C(=O)N1C1CCN(C2CCCC2)CC1 257237766 HIBPRPHXSNSUTE-UHFFFAOYSA-N 424.589 3.023 0 40 HGAB Cc1nn(C)cc1S(=O)(=O)N1CCCC[C@@H]1c1ncc(Cc2ccccc2)o1 257249645 JJFCYNYBQCTORW-GOSISDBHSA-N 400.504 3.223 0 40 HGAB COc1ccc(F)cc1-c1ccc(CC2(C(=O)NC[C@@H](C)O)CCOCC2)cc1 257257719 KQUYHNHVXBNKEO-MRXNPFEDSA-N 401.478 3.338 0 40 HGAB Cc1ccc(C)c(NC(=O)CN2CC[C@@]3(CCCN3Cc3ccccc3)[C@@H](O)C2)c1 257290636 QDRWPFAYKVCEGT-ZCYQVOJMSA-N 407.558 3.343 0 40 HGAB Cc1ccn(-c2ccc(N3CCN(c4ncc(C(F)(F)F)cc4Cl)CC3)nn2)n1 301176999 MHLGYKCALYMWOD-UHFFFAOYSA-N 423.830 3.365 0 40 HGAB CC(C)n1cnc([C@@H]2CN(Cc3ccoc3)C[C@@]23CCN(Cc2ccncc2)C3=O)c1 306141154 VMRUAEYDKAPYQI-URXFXBBRSA-N 419.529 3.470 0 40 HGAB Cc1ccc(C(=O)O)c(NC(=O)c2ccc(N3C(=O)[C@@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2)c1 408673429 SBUCHUBPUNXKFH-IQGAEYHTSA-N 416.433 3.257 0 40 HGAB Cc1cnc(Nc2cccc([C@@H]3CN(S(=O)(=O)c4ccccc4)CCO3)n2)s1 643550536 JPMLOENDVXDHFT-KRWDZBQOSA-N 416.528 3.352 0 40 HGAB Cc1ccc(C(C)C)c(OCC(=O)N(Cc2cccnc2)[C@H]2CCS(=O)(=O)C2)c1 680503570 KVKCLWGVNZKMPE-IBGZPJMESA-N 416.543 3.108 0 40 HGAB Cc1ccc(NC(=O)COC(=O)[C@H]2CCC(=O)N2Cc2ccc(Cl)cc2)cc1 1775966463 GARGUVVLLAWGNH-GOSISDBHSA-N 400.862 3.321 0 40 HGAB Brc1cnc(OCC2CCN(c3cnc4ccccc4n3)CC2)nc1 1888897990 UDLYSOCYSFPPTG-UHFFFAOYSA-N 400.280 3.478 0 40 HGAB Cn1c(=O)oc2ccc(S(=O)(=O)NCCc3ccc(-c4cccs4)s3)cc21 1889296622 GRPUAXMJLFGLTP-UHFFFAOYSA-N 420.537 3.443 0 40 HGAB CCOc1ccc(NC(=O)Cn2cnc3c(cnn3-c3ccccc3Cl)c2=O)cc1 1330897 GGMQNOOGDIRQAB-UHFFFAOYSA-N 423.860 3.273 0 40 HGAB CCN1C(=O)c2cccc3c(S(=O)(=O)N4CCN(c5ccccc5)CC4)ccc1c23 1463019 XTPGQEVZIZVRLL-UHFFFAOYSA-N 421.522 3.331 0 40 HGAB CCCCN1C(=O)[C@@](O)(CC(=O)c2ccncc2)c2cc(Br)ccc21 2493102 ZBWUGLSKZKMPMV-LJQANCHMSA-N 403.276 3.451 0 40 HGAB Cc1ccc(C)c(-n2c(SCC(=O)NC(N)=O)nnc2-c2cccc(Cl)c2)c1 3430362 YVBVPKOCAPAGFQ-UHFFFAOYSA-N 415.906 3.492 0 40 HGAB COc1ccc(OCCC(=O)OCC(=O)NC(=O)c2ccc(C(C)(C)C)cc2)cc1 3448732 ZSCQVUZRZAVLRL-UHFFFAOYSA-N 413.470 3.261 0 40 HGAB CCCN(CCC)S(=O)(=O)c1cccc(C(=O)Nc2ccc3c(c2)OCO3)c1 3461998 KMSMTPMVYHDGGK-UHFFFAOYSA-N 404.488 3.478 0 40 HGAB C[C@H]1CCN(C(=O)CN2C(=O)N[C@]3(CCCC[C@@H]3C)C2=O)c2ccccc2S1 4514801 GGFKATDCBPMOHP-GXZWQRSESA-N 401.532 3.405 0 40 HGAB O=C(c1ccc(Br)cc1)[C@@H](C(=O)N1CCCCC1)n1ccccc1=O 4690328 YVGMSFASRYOKQS-KRWDZBQOSA-N 403.276 3.047 0 40 HGAB COC(=O)c1ccc(C)c(NC(=O)[C@H](C)N(c2ccc(C)c(C)c2)S(C)(=O)=O)c1 4816392 ARJACTBILIIQNF-INIZCTEOSA-N 418.515 3.192 0 40 HGAB CCN(Cc1nc(-c2ccc(OC)c(OC)c2)no1)C(=O)COc1cccc(C)c1 4943625 GDAFKMBFZZKJGF-UHFFFAOYSA-N 411.458 3.490 0 40 HGAB CCOc1ccc(N(C(=O)[C@@H](C)Oc2ccccc2)[C@H]2C=CS(=O)(=O)C2)cc1 5070933 ZJDPFBYMXUWDTH-AEFFLSMTSA-N 401.484 3.197 0 40 HGAB CCc1ccccc1NC(=O)Cn1c(=O)n(Cc2ccco2)c(=O)c2sccc21 6678736 IZRGYEKDLXKEDN-UHFFFAOYSA-N 409.467 3.067 0 40 HGAB O=C(COC(=O)c1ccc(-n2cccc2)cc1)Nc1ccccc1C(=O)NC1CC1 7373133 XUSFZCANSDOVLT-UHFFFAOYSA-N 403.438 3.165 0 40 HGAB CC(=O)Nc1ccc(NC(=O)c2c[nH]c3c(c(C)nn3-c3ccccc3)c2=O)cc1 7424109 WZYQIXXHKFRACR-UHFFFAOYSA-N 401.426 3.233 0 40 HGAB COc1cccc(CNCCCSc2nnnn2C)c1OCc1ccccc1F 7541470 UYDMEYIKTSPVBK-UHFFFAOYSA-N 417.510 3.209 0 40 HGAB CCN(CC)C(=O)c1ccc(NC(=O)CSc2nncn2-c2ccccc2)cc1 7677933 ZVQMHWWCCKARBR-UHFFFAOYSA-N 409.515 3.480 0 40 HGAB CS(=O)(=O)N(CC(=O)NCCSc1ccc(Cl)cc1)c1cccc(F)c1 8169431 NBYLWLSYCZLLRE-UHFFFAOYSA-N 416.927 3.154 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3oc4ccc(F)cc4c3C)CC2)cc1 8210617 GJHRXVNSKSIYEC-UHFFFAOYSA-N 416.474 3.335 0 40 HGAB CCOc1ccc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc1Br 8477249 SXPMBBWPZABECQ-UKTHLTGXSA-N 407.264 3.252 0 40 HGAB Cc1ccc(NC(=O)CSc2nnc(-c3cc(-c4ccccc4)n[nH]3)n2N)cc1 9011837 SQKLAHZMNXNGHX-UHFFFAOYSA-N 405.487 3.088 0 40 HGAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)CSc2nnnn2C2CCCC2)c1 9454379 WJVZPWCHBCWPMJ-KRWDZBQOSA-N 417.535 3.261 0 40 HGAB C[C@]1(c2cc3ccccc3o2)NC(=O)N(CC(=O)N2CCC[C@H]3CCCC[C@@H]32)C1=O 9549281 VZQUFYNMEQTFCH-LPXYKDPNSA-N 409.486 3.381 0 40 HGAB CC(=O)Nc1ccc(NC(=O)CSc2nnc3ccc(-c4ccccc4)nn23)cc1 9829040 KVRUCXFACYYDSY-UHFFFAOYSA-N 418.482 3.481 0 40 HGAB Cc1ccc(-c2csc3ncn(CC(=O)NCCCN4CCCCC4)c(=O)c23)cc1 10086813 AUELWMPPZDPQPD-UHFFFAOYSA-N 424.570 3.426 0 40 HGAB COc1ccc(C(=O)NCc2ccc(F)c(C)c2)cc1S(=O)(=O)NC1CCCC1 11003314 ZKRZMUBDBPVPAN-UHFFFAOYSA-N 420.506 3.294 0 40 HGAB CCCc1cc(=O)oc2c(C)c(O[C@H](C)C(=O)N[C@H](C(=O)O)[C@H](C)CC)ccc12 11866790 FYRDRWHCLLNEML-TVZGQMOCSA-N 403.475 3.437 0 40 HGAB biogenic CCC(=O)N1N=C(c2ccccc2NS(C)(=O)=O)C[C@H]1c1ccc2nccnc2c1 12323426 JDNKZUFRVSOEES-FQEVSTJZSA-N 423.498 3.089 0 40 HGAB COc1cccc(C(=O)N2CCN(C(=O)CCCc3c[nH]c4ccccc34)CC2)c1 12409934 XJRPLSQYGFNFOQ-UHFFFAOYSA-N 405.498 3.484 0 40 HGAB CC(=O)N[C@@H](CC(=O)Nc1ccc(C(=O)c2nccn2C)cc1)c1ccc(C)cc1 12627449 ABXGNDKFQMDHNL-FQEVSTJZSA-N 404.470 3.166 0 40 HGAB CCCCN(Cn1nc(-c2ccccc2F)n(C)c1=S)[C@H]1CCS(=O)(=O)C1 12921605 NCCMVZHIWHMFMH-AWEZNQCLSA-N 412.556 3.004 0 40 HGAB C[C@@H](OC(=O)/C=C/c1cccc2ccccc12)C(=O)Nc1cccc(S(N)(=O)=O)c1 12928190 WXFKESRUZNLWBH-RDRICISKSA-N 424.478 3.071 0 40 HGAB CCOc1cc2c(cc1NC(=O)c1cccc(S(=O)(=O)NC(C)C)c1)O[C@H](C)C2 12937899 DISBDYJLVYDXTM-CQSZACIVSA-N 418.515 3.348 0 40 HGAB CCOC(=O)c1c(C)[nH]c(C(=O)CN2CCN(c3cccc(Cl)c3)CC2)c1C 13038438 BRTAILUZNIBKAZ-UHFFFAOYSA-N 403.910 3.467 0 40 HGAB COc1ccccc1CC(=O)N1CCC(c2nnc(O)cc2-c2cc(C)no2)CC1 13226314 ZYMSUAOBPKLQCR-UHFFFAOYSA-N 408.458 3.103 0 40 HGAB O=C(Nc1cccc(C(=O)N2CCN(C(=O)c3ccco3)CC2)c1)c1cccs1 14185207 ZFZLERTUTDGUDO-UHFFFAOYSA-N 409.467 3.192 0 40 HGAB COc1cc([C@H]2CC(=O)Nc3c2c(C)nn3-c2nc3ccccc3[nH]2)cc(OC)c1O 15084854 ACWBFENTBWWKBK-CYBMUJFWSA-N 419.441 3.254 0 40 HGAB COc1cc([C@H]2[C@H]3CCCC[C@@]3(O)CCN2CC(=O)NCc2ccccc2)ccc1O 16043059 VRIZZBHMPMVZAN-DCEDVJGZSA-N 424.541 3.385 0 40 HGAB biogenic COc1cccc(Nc2nc(N3CCN(C)CC3)nc3c2cnn3-c2ccccc2)c1 16916083 LBDYYXDLHYAFIA-UHFFFAOYSA-N 415.501 3.320 0 40 HGAB CCS(=O)(=O)N1CCCc2cc(NC(=O)c3cc(OC)cc(OC)c3)ccc21 17316417 NSGNELHJTJSHKQ-UHFFFAOYSA-N 404.488 3.058 0 40 HGAB Cc1ccc(-c2noc(CCC(=O)Nc3ccc(N4CCN(C)CC4)cc3)n2)cc1 18948042 YJBISQNJRFUQCL-UHFFFAOYSA-N 405.502 3.368 0 40 HGAB O=C(NCCN1CCN2Cc3[nH]c4ccccc4c3C[C@H]2C1)c1ccc(Cl)cc1 19367424 GFJPWEIFNJEGLO-SFHVURJKSA-N 408.933 3.294 0 40 HGAB CCc1nc(-c2cncnc2[C@@H]2CCN(C(=O)CCOc3cccc(F)c3)C2)no1 19693842 RMIIJTXLSGSZQO-CQSZACIVSA-N 411.437 3.013 0 40 HGAB Cc1ccc(NC(=O)c2cn3cc(Cl)ccc3n2)cc1S(=O)(=O)N1CCCC1 19716766 STCAOHQYPCMRCX-UHFFFAOYSA-N 418.906 3.333 0 40 HGAB CCOc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccc(F)cc3)C2)cc1 19862453 VGWKNOFBAZJCAB-KRWDZBQOSA-N 420.506 3.405 0 40 HGAB CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1cc(S(=O)(=O)NC(C)C)ccc1OC 20481407 OMQHVOXZHPONNA-GOSISDBHSA-N 424.494 3.317 0 40 HGAB CCOC(=O)N1CCC(NC(=O)Cn2ccc3cc(Br)ccc32)CC1 20729289 FBJQRSASWKHANB-UHFFFAOYSA-N 408.296 3.141 0 40 HGAB COc1ccc(OCCN2CCN(C(=O)/C=C/c3ccc(OC)c(F)c3)CC2)cc1 20907777 FNBQRKXGCKEMDJ-ONNFQVAWSA-N 414.477 3.079 0 40 HGAB CCCN(CC(=O)N1CCC(c2ccccc2)=N1)S(=O)(=O)c1ccc(Cl)cc1 22090072 JNHZCSVUMHMZGD-UHFFFAOYSA-N 419.934 3.377 0 40 HGAB CCOc1cccc(CNC(=O)CN(c2cccc(Cl)c2C)S(C)(=O)=O)c1 22515196 LRARREOYLIOVJQ-UHFFFAOYSA-N 410.923 3.130 0 40 HGAB COc1cccc(NC(=O)C[C@H]2CCCCN2S(=O)(=O)c2ccc(F)cc2)c1 22732559 VQGRZRXTBQDANX-QGZVFWFLSA-N 406.479 3.406 0 40 HGAB COc1ccc([C@H]2CCCN2C(=O)c2cccc(NS(C)(=O)=O)c2)c(OC)c1 23313135 ADPLFMYNVTVZRC-GOSISDBHSA-N 404.488 3.053 0 40 HGAB Cn1c(=O)c2ccccc2n2c(COc3ccc(F)cc3Br)nnc12 24725434 COJSCMSYIRWJTF-UHFFFAOYSA-N 403.211 3.062 0 40 HGAB Cc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc4C3)c2)nc1 24746123 ZVJHQXFEUNTNNU-UHFFFAOYSA-N 407.495 3.389 0 40 HGAB CCn1nnc2cc(C(=O)Nc3cc4c(cc3Br)OCCO4)ccc21 24945990 FZQQHTVFZHLCQJ-UHFFFAOYSA-N 403.236 3.237 0 40 HGAB COC(=O)[C@H]1[C@@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN21 26817388 BXXHLOUIOGUWCB-WJFTUGDTSA-N 408.841 3.028 0 40 HGAB CCOc1ccccc1NC(=O)COc1ccc(S(=O)(=O)N(C)C)cc1Cl 28207964 IAUVRLIUHHYDOM-UHFFFAOYSA-N 412.895 3.007 0 40 HGAB C[n+]1cn(C[C@@H](O)COc2ccccc2C(=O)Nc2ccccc2)c2ccccc21 28462691 DTPZNJMXBWOOQC-LJQANCHMSA-O 402.474 3.158 0 40 HGAB CC(C)N(C(=O)CSc1nn2c(C(C)(C)C)nc(=O)nc2s1)c1ccccc1 28526979 FGSYTIWBQHOFAT-UHFFFAOYSA-N 417.560 3.377 0 40 HGAB CSc1cccc(N2C[C@@H](C(=O)N[C@@H](C)c3ccc(-n4cncn4)cc3)CC2=O)c1 28668722 CHJUCMRIVNMECP-RDJZCZTQSA-N 421.526 3.220 0 40 HGAB O=C(Nc1nc2c(s1)CCCC2)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 31303610 XBGMYEXXABNQKM-INIZCTEOSA-N 405.545 3.204 0 40 HGAB C[C@H](Oc1ccc(F)cc1Br)C(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O 31695118 GTMQCNLGXAUSBE-VIFPVBQESA-N 421.222 3.220 0 40 HGAB CCOC(=O)C1=C(COC(=O)c2cc(C(C)C)nc3ccccc23)NC(=O)N[C@H]1C 32741961 JCQFDQAWHTWNRI-ZDUSSCGKSA-N 411.458 3.034 0 40 HGAB O=C(O)c1ccc(-n2cccc2/C=C2/C(=O)N(Cc3ccco3)C(=O)N=C2O)cc1 33663465 ODWFNBWRKHHVSQ-GZTJUZNOSA-N 405.366 3.271 0 40 HGAB C[C@H]1CCCN(Cc2ccccc2CNC(=O)Cn2cc(C(F)(F)F)ccc2=O)C1 36390796 ZEBMNDAKVHSODC-INIZCTEOSA-N 421.463 3.415 0 40 HGAB Cc1ccc(-c2cnc(NC(=O)CCc3c(C)nn4cnnc4c3C)n2C)cc1C 36752682 KAZDZHANVAIMOE-UHFFFAOYSA-N 403.490 3.330 0 40 HGAB CCOC(=O)c1c(NC(=O)c2cccc(OCC(=O)N(C)C)c2)sc(C)c1C 40140370 HHBXHTHQZXCNRT-UHFFFAOYSA-N 404.488 3.261 0 40 HGAB CCOc1ccc(NCC(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2C)cc1 40162264 MUVIDXVAMBJBOK-UHFFFAOYSA-N 419.547 3.475 0 40 HGAB COC(=O)c1cc(NC(=O)N2CCc3[nH]cnc3[C@H]2c2ccccn2)ccc1Cl 40266231 FRMOZJCQHXDZGG-GOSISDBHSA-N 411.849 3.424 0 40 HGAB O=C(CN1CCC(C(=O)NCCc2ccccc2F)CC1)Nc1cc(F)ccc1F 47937375 DCJXVHXQKOFQQF-UHFFFAOYSA-N 419.447 3.113 0 40 HGAB O=C(NC[C@H]([C@@H]1CCOC1)N1CCOCC1)Nc1ccc(Cl)c(C(F)(F)F)c1 48287091 XUHRLTPEVOGWRX-MLGOLLRUSA-N 421.847 3.218 0 40 HGAB Cc1ccc(C)c(NC(=O)CSc2nc3[nH]ncc3c(=O)n2-c2ccccc2)c1 51316678 NYEUQEXICRQHOQ-UHFFFAOYSA-N 405.483 3.456 0 40 HGAB COc1ccccc1N1CCN(CCNC(=O)COc2ccc3ccccc3c2)CC1 56997298 JHTBJQHYFNGBTQ-UHFFFAOYSA-N 419.525 3.166 0 40 HGAB O=C(/C=C/c1c(Cl)nc2sccn12)NCCc1cc(F)cc2c1OCOC2 57266411 REJNMPCDAJUBCC-OWOJBTEDSA-N 407.854 3.427 0 40 HGAB CCCCn1nccc1NC(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 58215116 GIQAGOMLZSESLU-ZDUSSCGKSA-N 405.296 3.437 0 40 HGAB CC(C)(C)NC(=O)CSc1nnc(-c2ccc3c(c2)OCCCO3)n1C1CC1 64987159 HHQZGDPCCBKUST-UHFFFAOYSA-N 402.520 3.448 0 40 HGAB O=C(NCCc1nnc2n1CCC2)Nc1ccc(OCc2ccccn2)c(Cl)c1 79019634 INXFHMRDARQXFR-UHFFFAOYSA-N 412.881 3.216 0 40 HGAB COC(=O)Cn1nc(C)c(CNC(=O)[C@@H]2C[C@H]2c2cccc(C(F)(F)F)c2)c1C 89512626 LFPCMSGPUKCERZ-JKSUJKDBSA-N 409.408 3.112 0 40 HGAB O=C(C[C@@H]1CC2(CCN(Cc3ccccn3)CC2)c2ccccc21)N1CCOCC1 96052815 QTVFLOQYCBZKDN-HXUWFJFHSA-N 405.542 3.352 0 40 HGAB Cc1ccccc1CN1CCN(C(=O)CN2C(=O)CC(C)(C)c3ccccc32)CC1 96183182 WEKFSQSLXOZLHQ-UHFFFAOYSA-N 405.542 3.354 0 40 HGAB Cn1c(CCCCCNC(=O)[C@@H]2CCCN(c3ncccn3)C2)nc2ccccc21 96231620 ZMDOIBYLRGUPSQ-GOSISDBHSA-N 406.534 3.109 0 40 HGAB COc1cc([C@@H]2C=C(c3ccc4c(c3)OCO4)Nc3ncnn32)cc(OC)c1OC 100284227 GAKDQWHQAFLWFN-HNNXBMFYSA-N 408.414 3.089 0 40 HGAB O=C(N[C@@H]1C[C@@H]2CC[C@@H]1C2)C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1 113949522 OAEYOIFYYGQVGM-LSBZLQRGSA-N 410.967 3.187 0 40 HGAB COc1cccc(N([C@H](C)C(=O)Nc2cc(Cl)ccc2OC)S(C)(=O)=O)c1 220163475 RNEJBUGJZLNPMA-GFCCVEGCSA-N 412.895 3.150 0 40 HGAB CCOC(=O)c1cccc(NC(=O)[C@H](C)N(c2cccc(F)c2)S(C)(=O)=O)c1C 220484500 IXDIHJJROANEOQ-AWEZNQCLSA-N 422.478 3.104 0 40 HGAB COc1ccccc1CNC(=O)c1cccc(N(C)S(=O)(=O)c2ccccc2)c1 222530045 ZJGZGGXYLRHPCZ-UHFFFAOYSA-N 410.495 3.450 0 40 HGAB COc1cccc(N(CCCC(=O)Nc2cc(C)ccc2OC)S(C)(=O)=O)c1 222589640 FBOKQRNKCULQQH-UHFFFAOYSA-N 406.504 3.197 0 40 HGAB CS(=O)(=O)N(CCCC(=O)Nc1ccccc1Cl)c1ccc2c(c1)OCCO2 222669687 DBVRNHHRLUPEGM-UHFFFAOYSA-N 424.906 3.296 0 40 HGAB CC[C@@H](NS(=O)(=O)c1cc(Cl)ccc1OC)c1ccc(S(C)(=O)=O)cc1 223256592 BLNAFYXCMHZHDY-OAHLLOKOSA-N 417.936 3.182 0 40 HGAB CCOC(=O)c1ccc(C)c(N(CC)S(=O)(=O)c2ccc3c(c2)OCCO3)c1 224844232 BKBZOXIKQRCJQF-UHFFFAOYSA-N 405.472 3.158 0 40 HGAB COC(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(OC)c(F)c1 225101863 GVXLSARFDPPBPF-UHFFFAOYSA-N 421.368 3.221 0 40 HGAB COC(=O)c1cccc(S(=O)(=O)Nc2nnc(SCc3ccccc3)s2)c1 225614552 CVWHOKPLZDFBRU-UHFFFAOYSA-N 421.525 3.418 0 40 HGAB CCOc1ccc2c(c1)OC1(CCN(C(=O)c3ccc4c(c3)OCCO4)CC1)CC2=O 225820688 NGWSKBPBAVNVTB-UHFFFAOYSA-N 423.465 3.497 0 40 HGAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)NCc2cccc3ccccc23)cc1 226044218 WGJABCPKXYKCPJ-UHFFFAOYSA-N 412.511 3.175 0 40 HGAB CCc1onc(C)c1-c1cccc([C@H]2CN(C(=O)CN3CCC(C)CC3)CCO2)n1 257298775 RNGIPCPMYWGLIF-OAQYLSRUSA-N 412.534 3.239 0 40 HGAB COC(=O)CNC(=O)C1(Cc2ccc(-c3cc(F)ccc3OC)cc2)CCOCC1 257325422 WSWWMASIADJUTJ-UHFFFAOYSA-N 415.461 3.130 0 40 HGAB CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)cc1 408601760 HDKQJJNYEXPFPZ-NSHDSACASA-N 402.394 3.020 0 40 HGAB Cc1ccc(NC(=O)CN(Cc2ccc(Br)cc2)S(C)(=O)=O)cc1 408602603 ADTAXMKNMRQNEB-UHFFFAOYSA-N 411.321 3.158 0 40 HGAB COc1ccc([C@@H]2[C@@H](NC(=O)c3ccccc3)C(=O)N/[N+]2=C\c2ccc(C)cc2)cc1 409059610 SMHAFNGUVCRNNG-WFZBXURCSA-O 414.485 3.020 0 40 HGAB COC(=O)CN1C(=O)/C(=C/c2cn(Cc3ccccc3)c3ccccc23)N(C)C1=S 409210809 MNWSLHSDYHDUQR-NDENLUEZSA-N 419.506 3.262 0 40 HGAB CCc1ccc(NC(=O)COc2ccc(S(=O)(=O)N3CCCC3)cc2C)cc1 409389052 GCLOWUREVMTSIK-UHFFFAOYSA-N 402.516 3.359 0 40 HGAB Cc1c(C(=O)N2CC3(C[C@@H](OCC(=O)N4CCCC4)CS3)C2)oc2ccccc12 575402943 FWIABXGIMWLMRH-MRXNPFEDSA-N 414.527 3.080 0 40 HGAB Cc1nc(N2CCC(NC(=O)[C@@H]3CCc4ccccc4O3)CC2)cc(C(F)(F)F)n1 575615788 GPUHGPPIXAOXBI-KRWDZBQOSA-N 420.435 3.283 0 40 HGAB O=C(Nc1nc(-c2cccnc2)cs1)[C@@H]1CCCN(c2cc3c(nn2)CCC3)C1 585150292 JTRFQEYOYBRDOQ-MRXNPFEDSA-N 406.515 3.339 0 40 HGAB C[C@@H]1CCN(CCNC(=O)Nc2cccc(C(=O)Nc3ccc(Cl)cn3)c2)C1 1666832829 SRHUBAYMXBEETN-CQSZACIVSA-N 401.898 3.451 0 40 HGAB CC(C)(C)N1C[C@@H](NC(=O)Nc2ccn(-c3ccc(Br)cc3)n2)CC1=O 1677868615 YSZUQLPRJSARFY-ZDUSSCGKSA-N 420.311 3.156 0 40 HGAB O=C(c1cncc(Br)c1)N1C[C@H]2CCC[C@@]2(COc2ncc(F)cn2)C1 1888879080 XSYVCKINZZNBNP-ACJLOTCBSA-N 421.270 3.095 0 40 HGAB COCc1nc([C@H]2CC[C@@H](O)[C@H](NC(=O)Nc3ccc(F)c(F)c3)C2)n(C(C)C)n1 2332241654 SKOOVSGQAFLUKT-JCURWCKSSA-N 423.464 3.102 0 40 HGAB Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccco2)Cc2ccccc2F)cc1 780780 HBIBQWZCFISHMD-UHFFFAOYSA-N 416.474 3.234 0 40 HGAB CCCn1c(=O)c2ccccc2n2c(SCC(=O)N3[C@@H](C)CCC[C@@H]3C)nnc12 1331781 MZYXWZQNQSIKPN-GJZGRUSLSA-N 413.547 3.336 0 40 HGAB Nn1c(SCC(=O)Nc2ccccc2-c2ccccc2)nnc1-c1ccncc1 2264326 BXSUGGRHCMXHBT-UHFFFAOYSA-N 402.483 3.452 0 40 HGAB O=C1c2ccccc2C(=O)N1Oc1cnn(-c2cccc(Cl)c2)c(=O)c1Cl 3104680 UEZAQOMSDCDFRZ-UHFFFAOYSA-N 402.193 3.129 0 40 HGAB N#C[C@@H](C(=O)CSc1nnc(Nc2ccccc2)s1)C(=O)NCc1ccccc1 3325337 QZKOXMATPWMVEQ-INIZCTEOSA-N 423.523 3.399 0 40 HGAB O=C(OCn1nnc2ccccc2c1=O)c1ccccc1OCCOc1ccccc1 3372072 CVVXETYPIZKOIS-UHFFFAOYSA-N 417.421 3.064 0 40 HGAB C[C@@H]1CCc2c(sc3ncnc(NCCc4ccc(S(N)(=O)=O)cc4)c23)C1 3453479 XRAZRTDVSLDPPK-GFCCVEGCSA-N 402.545 3.118 0 40 HGAB CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)c2cc(C)n(C[C@H]3CCCO3)c2C)c1C 3543095 ZULILXPEFSMRDN-QGZVFWFLSA-N 400.475 3.471 0 40 HGAB C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1ccc(Br)cc1F)C2=O 3595851 KWIWVVMCCXLFGP-BMLIUANNSA-N 412.259 3.027 0 40 HGAB CCC1CCC2(CC1)NC(=O)N(CC(=O)Nc1ccc(OC(F)(F)F)cc1)C2=O 4308133 BDZBIORAADPNMQ-UHFFFAOYSA-N 413.396 3.415 0 40 HGAB CCOc1ccc(N2C[C@@H](NS(=O)(=O)c3ccc4ccccc4c3)CC2=O)cc1 4497750 VPFRXHJKDCALMR-SFHVURJKSA-N 410.495 3.322 0 40 HGAB COc1ccccc1NC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1=O 4554314 RBMCLHXVZKWHQE-OYPHABEOSA-N 418.493 3.276 0 40 HGAB CCOC(=O)N1CCN(c2ncc3c(n2)C[C@@H](/C=C/c2ccccc2)CC3=O)CC1 4988739 BJIDUBMJJZTWNV-GFOMBABLSA-N 406.486 3.214 0 40 HGAB CCOC(=O)C1=C(COC(=O)C2(c3ccc(F)cc3)CCCC2)NC(=O)N[C@@H]1CC 6063019 RLOLSPAWBFMDSX-MRXNPFEDSA-N 418.465 3.089 0 40 HGAB O=C(COc1ccccc1C(=O)NCc1ccccc1)Nc1ccc2c(c1)OCCO2 6462342 WZUGUHUIBMKWMT-UHFFFAOYSA-N 418.449 3.405 0 40 HGAB COc1cc(OC)cc(C(=O)N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)c1 6624851 HMJVADWLTHKTTL-UHFFFAOYSA-N 416.346 3.362 0 40 HGAB CCn1c(Cc2ccc(OC)c(OC)c2)nnc1SCC(=O)Nc1ccccn1 7365849 QMSWBRKGQLDTKO-UHFFFAOYSA-N 413.503 3.032 0 40 HGAB COc1cccc(NC(=O)CSc2nnc(-c3cc(OC)cc(OC)c3)[nH]2)c1 7604941 NANUBILJWOQAJI-UHFFFAOYSA-N 400.460 3.228 0 40 HGAB O=C(Nc1ccccc1)C1CCN(C(=O)/C=C/c2cn(Cc3ccccc3)nn2)CC1 7955019 KZTCRLDTRUEPNE-VAWYXSNFSA-N 415.497 3.217 0 40 HGAB COc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3C)C2)cc1 8039498 PMSBQHGZPXOSGL-CQSZACIVSA-N 416.861 3.192 0 40 HGAB Cc1ccc(OCCNC(=O)CCNS(=O)(=O)c2ccc3ccccc3c2)cc1 8192817 JMLOJVROHQLSOI-UHFFFAOYSA-N 412.511 3.012 0 40 HGAB Cc1nn(CC(C)C)c(Cl)c1/C=C1\C(=O)N(CC(=O)O)C(=O)c2ccccc21 8848670 JSKIFMCALFWYKO-PXNMLYILSA-N 401.850 3.109 0 40 HGAB CC[C@]1(C)Oc2ccc(NS(=O)(=O)c3cc4oc(=O)n(C)c4cc3Cl)cc2O1 8973610 FQWUSWDBTHUJEA-GOSISDBHSA-N 424.862 3.483 0 40 HGAB O=C(CCNc1nc(Cl)nc2[nH]cnc12)Nc1ccc(OC(F)(F)F)cc1 9054062 IRWUPCIQZCLDEL-UHFFFAOYSA-N 400.748 3.346 0 40 HGAB CCOc1ccc(C2=NN=C(Nc3cccc(S(=O)(=O)N(C)C)c3)SC2)cc1 9379030 GKDRTJAVIMKXCD-UHFFFAOYSA-N 418.544 3.255 0 40 HGAB Cc1c(C(=O)CN2C(=O)N[C@@](C)(c3ccc4c(c3)OCO4)C2=O)oc2ccccc12 9494119 QAHFQLKMOLEXBO-QFIPXVFZSA-N 406.394 3.120 0 40 HGAB CCc1c(C)sc2nc(S[C@H]3CCCCNC3=O)n(C[C@@H]3CCCO3)c(=O)c12 10260475 KPSTZQIIJFGXMB-ZFWWWQNUSA-N 421.588 3.269 0 40 HGAB O=C(CCN1C(=O)NC2(CCCC2)C1=O)N[C@@H](c1ccc(F)cc1)c1cccs1 10291466 FAKLPQKRTJWMCC-SFHVURJKSA-N 415.490 3.348 0 40 HGAB Cc1cccc2c1N(C(=O)[C@H]1CCCN(C3=NS(=O)(=O)c4ccccc43)C1)CCC2 10971577 YBDSVNQTKVALSO-SFHVURJKSA-N 423.538 3.135 0 40 HGAB Cc1ccc(-c2ccc(=O)n(CCCNC(=O)c3cc4ccccc4oc3=O)n2)cc1 11738370 RDHIIKNDAJUFKP-UHFFFAOYSA-N 415.449 3.145 0 40 HGAB CCOc1ccc(S(=O)(=O)NC[C@H](c2cccn2C)N2CCCCCC2)cc1 11897755 DMBZFIOOCHAEQT-OAQYLSRUSA-N 405.564 3.319 0 40 HGAB COc1ccc(CC(=O)NC(=S)Nc2ccccc2C(=O)N2CCCCC2)cc1 12137934 ZDLBZAIDTGIRKD-UHFFFAOYSA-N 411.527 3.377 0 40 HGAB CC[C@H]1Oc2ccc([C@@H](O)c3ccco3)cc2N(CC(=O)NCc2ccccc2)C1=O 12233501 PQUMFDRRMWJFBX-AUSIDOKSSA-N 420.465 3.182 0 40 HGAB O=C(Cn1c(C2CC2)nc2c(cnn2-c2ccccc2)c1=O)Nc1ccccc1F 12441657 BWFFYYAXSGXXES-UHFFFAOYSA-N 403.417 3.237 0 40 HGAB CC1(C)Cc2cccc(OCC(=O)O[C@@H](C(=O)NC3CC3)c3ccc(F)cc3)c2O1 12470688 QXYBKTVNVIIKAO-OAQYLSRUSA-N 413.445 3.481 0 40 HGAB Cc1nc(-c2ccco2)nc2sc(C(=O)NCCCN3CCOCC3)c(C)c12 12738922 QCMZXLKEPSEISI-UHFFFAOYSA-N 400.504 3.020 0 40 HGAB CCc1ccc([C@@H](CNC(=O)CNC(=O)Cc2cccc3ccccc23)N(C)C)cc1 12753410 KXGZIQNCVYBYCS-XMMPIXPASA-N 417.553 3.480 0 40 HGAB CCCOc1ccc(N2C(=O)C[C@@H](N(C)CCOc3ccc(OC)cc3)C2=O)cc1 12761401 ANYZULVYHULYRC-OAQYLSRUSA-N 412.486 3.127 0 40 HGAB CS(=O)(=O)c1ccc2nc(NC(=O)[C@@H]3Cc4cc(Cl)ccc4O3)sc2c1 12771306 MJJRZTIAUJSWJN-AWEZNQCLSA-N 408.888 3.295 0 40 HGAB O=S(=O)(c1ccc(F)cc1F)N1CCN(Cc2nc3ccccc3s2)CC1 12783341 GMEMRHIMJVWQKX-UHFFFAOYSA-N 409.483 3.081 0 40 HGAB CN(C)[C@@H](CNC(=O)c1ccccc1I)c1cccc(F)c1 12807823 FXLXVSXKJHREDJ-INIZCTEOSA-N 412.246 3.463 0 40 HGAB CS(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccc4c(c3)CCO4)cs2)cc1 12809296 NFOVMWKALJKVKA-UHFFFAOYSA-N 400.481 3.401 0 40 HGAB C/C=C/c1ccc(OC[C@@H](O)CN2C(=O)N[C@](C)(C3CCCCC3)C2=O)c(OC)c1 12853470 BEBYHBBRXFZBAL-MFHKZMAWSA-N 416.518 3.359 0 40 HGAB COc1ccc(N2C[C@H](C(=O)Nc3cc(C)nn3Cc3ccccc3)CC2=O)cc1 12908968 NIZAWSUOQLGSED-GOSISDBHSA-N 404.470 3.240 0 40 HGAB CCN(c1ccc(C(=O)NCCSCc2cccc(C)c2)cc1)S(C)(=O)=O 13676736 AMFZVSCRWFNCEG-UHFFFAOYSA-N 406.573 3.444 0 40 HGAB Cc1ccc(NC(=O)NCCOc2ccc3nnc(-c4ccccc4)n3n2)cc1F 13705786 ZNFZZICXRBLYKP-UHFFFAOYSA-N 406.421 3.439 0 40 HGAB CC[C@H](C(=O)Nc1cc(C(=O)OC)ccc1C)N(c1ccc(F)cc1)S(C)(=O)=O 13715538 QBQBYELIVCFBBW-GOSISDBHSA-N 422.478 3.104 0 40 HGAB C[C@H]1Sc2ccc(C(=O)N3CCC(C(=O)N4CCCCCC4)CC3)cc2NC1=O 13987237 GBQADJVOZUENQE-OAHLLOKOSA-N 415.559 3.374 0 40 HGAB Cc1ccc(NC(=O)CN(C)C(=O)[C@H](CC(C)C)N2C(=O)c3ccccc3C2=O)cc1 14651047 YMKKORONWXXRRL-FQEVSTJZSA-N 421.497 3.103 0 40 HGAB O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]21)NCCOc1ccc2ccccc2c1 15517313 IDFIBLKLCXOTRY-DYXWJJEUSA-N 413.543 3.061 0 40 HGAB CN(CC(=O)NCc1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(Cl)cc1 15976982 CNBWMILPNPXEBF-UHFFFAOYSA-N 420.840 3.296 0 40 HGAB COc1ccc(C)cc1CCNC(=O)CN1c2cccc3cccc(c23)S1(=O)=O 16103741 UXVWADYRQBLHNM-UHFFFAOYSA-N 410.495 3.024 0 40 HGAB O=C(c1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCCO2)N1CCCCC1 16121594 HJKMNLNEIBMZTP-UHFFFAOYSA-N 416.499 3.275 0 40 HGAB Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(C4CCCCC4)cc3)CC2)on1 17845189 NFJOMVGFSVUVMH-UHFFFAOYSA-N 417.531 3.177 0 40 HGAB O=C(CS(=O)(=O)Cc1ccccc1)N[C@@H](Cc1ccsc1)c1nccs1 19372725 ZYENTCUZIMQMIL-INIZCTEOSA-N 406.554 3.220 0 40 HGAB Cc1ccc(OCCN2CCCC2)c(NC(=O)c2cnc3c(C)cccn3c2=O)c1 19714709 ZYZUGCBUVVENNH-UHFFFAOYSA-N 406.486 3.038 0 40 HGAB COc1ccc([C@@H](C)NC(=O)CCc2ccc(S(=O)(=O)NC(C)C)cc2)cc1 20023598 WHZTVNFRHMWIMB-MRXNPFEDSA-N 404.532 3.192 0 40 HGAB COc1cccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1 20043606 BCEJLVWIIBKEJI-MRXNPFEDSA-N 418.515 3.276 0 40 HGAB CCOc1ccc(-c2cc3c(=O)n(CC(=O)Nc4cccc(Cl)c4)ncn3n2)cc1 21027406 VBXODBLVWYXBSW-UHFFFAOYSA-N 423.860 3.249 0 40 HGAB CC(C)(C)C(=O)/C=c1\s/c(=C\c2ccc(F)cc2)c(=O)n1Cc1ccccc1F 21852729 NTEFEUYTPDCCSC-FEQHTUGKSA-N 413.489 3.461 0 40 HGAB Cn1c(=O)c2ccccc2n2c(COc3ccc(C(=O)c4ccccc4)cc3)nnc12 21946414 ISMGEMFZYUJEQR-UHFFFAOYSA-N 410.433 3.391 0 40 HGAB COc1ccc(N(C)S(C)(=O)=O)cc1C(=O)NCc1ccc(Cl)cc1Cl 22251488 SQGQKIWLJCDKCJ-UHFFFAOYSA-N 417.314 3.328 0 40 HGAB CCc1nc2sc([C@H](c3ccccc3)N3CCC(C(=O)OC)CC3)c(O)n2n1 22853579 LIXFGNXNBVCYMM-INIZCTEOSA-N 400.504 3.033 0 40 HGAB COc1ccc(CN2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)cc1F 23039104 OVGBJJQKMBSCID-UHFFFAOYSA-N 404.916 3.056 0 40 HGAB CCCNC(=O)Cn1nc2c(c1NC(=O)c1cc(Cl)ccc1OC)CSC2 23138843 MJCILBDNUKPEEH-UHFFFAOYSA-N 408.911 3.070 0 40 HGAB O=C(c1ccc(Br)s1)N1CCN(Cc2ccc3c(c2)OCCO3)CC1 23786964 ICGULZHXWAAJIA-UHFFFAOYSA-N 423.332 3.240 0 40 HGAB COC(=O)c1ccoc1COC(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1 24107397 QGWLZICWPPCBDC-UHFFFAOYSA-N 401.802 3.287 0 40 HGAB COc1cc(CCC(=O)N2CCN(C(=O)c3cc(C)cc(C)c3)CC2)cc(OC)c1 25222714 OPSGIHMCPMQLQL-UHFFFAOYSA-N 410.514 3.238 0 40 HGAB COc1ccc([C@@H]2CCCCCN2C[C@@H](O)CN2C(=O)c3ccccc3C2=O)cc1 25231751 DHLQMQQQQLGETD-GCJKJVERSA-N 408.498 3.269 0 40 HGAB Cc1ccccc1[C@H](OC[C@@H](O)Cn1nnc2ccccc2c1=O)c1ccccc1 32854262 KUOSGMFIVABBON-WMZHIEFXSA-N 401.466 3.267 0 40 HGAB CS(=O)(=O)c1ccccc1C(=O)NC[C@H](c1ccccc1Cl)N1CCCC1 32902478 APKNBXKVKJADHJ-GOSISDBHSA-N 406.935 3.310 0 40 HGAB CN(C)[C@@H](CNC(=O)c1c[nH]nc1-c1ccc2c(c1)OCCO2)c1cccc(F)c1 32905791 QMSKBUFPPKUFPX-SFHVURJKSA-N 410.449 3.020 0 40 HGAB Cc1cc2nc3s/c(=C/c4cn(CC(=O)O)c5ccccc45)c(=O)n3c2cc1C 33343379 IGDVCFMKZINLGR-DJKKODMXSA-N 403.463 3.113 0 40 HGAB Cn1c(-c2ccc(Cl)cc2Cl)c(-c2cn3ccccc3n2)c(=O)n(C)c1=O 36354435 CJVAARGFSCTUIG-UHFFFAOYSA-N 401.253 3.373 0 40 HGAB COC(=O)c1ccc(S(=O)(=O)NCc2ccc(CN3CCC(C)CC3)cc2)cc1 36396043 SDWXLMXSQJLQCX-UHFFFAOYSA-N 416.543 3.184 0 40 HGAB COc1ccc(CC(=O)Nc2ccc(N3CCCN(C(=O)C4CC4)CC3)cc2)cc1 38679171 YPGUGDDRYXRUEW-UHFFFAOYSA-N 407.514 3.325 0 40 HGAB O=C(Cc1csc(NC(=O)c2ccco2)n1)NCCOc1cccc(Cl)c1 40113625 VSDAUGYMTULONX-UHFFFAOYSA-N 405.863 3.380 0 40 HGAB CN(C(=O)NCc1ccc(N2CCOCC2)nc1)[C@@H](c1ccccc1)c1ccccn1 40135597 NBTFDWZKHTYPNY-QHCPKHFHSA-N 417.513 3.244 0 40 HGAB COc1ccc(N2C[C@H](c3noc(-c4ccc5c(c4)OCO5)n3)CC2=O)cc1OC 44417895 NECSZJCRAUAMFA-CYBMUJFWSA-N 409.398 3.003 0 40 HGAB COc1ccc(C(=O)N2CCN(c3cc(-c4ccccc4)nc(C)n3)CC2)cc1OC 49597425 LFZYLLMWCHPWQQ-UHFFFAOYSA-N 418.497 3.432 0 40 HGAB O=C(Cn1c(=O)cc(-c2nc(C3CC3)no2)c2ccccc21)NCc1cccs1 65154450 IFRYYEFIOPVWRY-UHFFFAOYSA-N 406.467 3.307 0 40 HGAB COc1cccc(CNC(=O)Cn2c(Nc3cc(C)cc(C)c3)nc(C)cc2=O)c1 67246420 OCKDFUFCIZGVFS-UHFFFAOYSA-N 406.486 3.237 0 40 HGAB COc1ccc(-c2csc(NC(=O)[C@H](CC(=O)O)NCc3ccccc3)n2)cc1 72334058 DMCVVQPDWRQPLJ-KRWDZBQOSA-N 411.483 3.390 0 40 HGAB O=C(NC[C@H]1O[C@H](Cc2cc(-c3ccc(F)cc3)on2)CC[C@@H]1O)C1CCCC1 77262544 CCLZDLMNOUIKPY-IRFCIJBXSA-N 402.466 3.238 0 40 HGAB biogenic,in-vitro CCOC(=O)c1cnc(N2CCN(C(=O)CCCOc3ccccc3C)CC2)s1 78934451 ALFAVGNNZTYLQD-UHFFFAOYSA-N 417.531 3.136 0 40 HGAB COc1ccc(Cl)c(S(=O)(=O)NCCc2nc(-c3ccc(F)cc3)c[nH]2)c1 79012903 CUTMXVLQFLLWHJ-UHFFFAOYSA-N 409.870 3.399 0 40 HGAB CCN(CC)CCN(CCC(F)(F)F)CC(=O)Nc1cc(OC)ccc1OC 79053519 FXWOYUBXABFRRE-UHFFFAOYSA-N 405.461 3.239 0 40 HGAB O=C(NCC(F)(F)F)C1CCN(c2cc(-n3ccc4ccccc43)ncn2)CC1 96124046 URHHHLMULJETHV-UHFFFAOYSA-N 403.408 3.315 0 40 HGAB CCn1cc(CN2[C@H]3CC[C@H]2CC(O)(Cn2nc(C)ccc2=O)C3)c2ccc(F)cc21 100737925 NDJCREJKNMEMCJ-PMACEKPBSA-N 424.520 3.224 0 40 HGAB CN1C(=O)N(C)C(=O)C2(Cc3cccc(F)c3N3[C@H]4CC(C)(C)C[C@@](C)(C4)[C@H]32)C1=O 101331448 DQPHCGCUOUCMGY-ICSGCJEQSA-N 413.493 3.192 0 40 HGAB COC(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1cc(Cl)ccc1Cl 113879369 PODAJTXWEWBLTF-UHFFFAOYSA-N 404.271 3.370 0 40 HGAB COC(=O)C[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@H](O)C[C@@H]1C[C@H]3O 118932386 KLXPQIAGNBJJFR-OJGXVJBCSA-N 408.579 3.147 0 40 HGAB CCOc1ccccc1CCCNC(=O)[C@@H](CC)N(c1ccccc1)S(C)(=O)=O 219082318 DGGZFVYXSVQRHV-HXUWFJFHSA-N 418.559 3.379 0 40 HGAB C[C@H](NC(=O)CN(c1ccc(C(F)(F)F)cc1)S(C)(=O)=O)c1ccccc1 220038417 KYORBXQEKIPCGH-ZDUSSCGKSA-N 400.422 3.349 0 40 HGAB CCOc1ccc(CNC(=O)c2ccc(N(C)S(C)(=O)=O)c(C)c2)cc1OCC 222478794 CAGDJIGGRIGTTL-UHFFFAOYSA-N 420.531 3.118 0 40 HGAB COc1cccc(N([C@@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)CCC3)S(C)(=O)=O)c1 223234424 PFXRVKOEEJXBLT-HOTGVXAUSA-N 416.543 3.216 0 40 HGAB COc1ccc(C(=O)NCCCOC(=O)c2snnc2-c2cccs2)cc1 223848852 FNNRBCQXKKTXRN-UHFFFAOYSA-N 403.485 3.252 0 40 HGAB Cc1cc(C)cc(OCCNC(=O)CCCN(c2cccc(C)c2)S(C)(=O)=O)c1 224096467 XZBRDTXYGNMUTO-UHFFFAOYSA-N 418.559 3.353 0 40 HGAB CCOc1ccc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1COCC(C)C 224739654 CHIDDOCCFCKHSF-UHFFFAOYSA-N 406.504 3.158 0 40 HGAB C[C@H](C(=O)NCCSC1CCCC1)N(c1ccc(Cl)cc1)S(C)(=O)=O 225270507 JRKGIHOTDIDXBG-CYBMUJFWSA-N 404.985 3.287 0 40 HGAB C[C@@H](Oc1cccc2c1CCCC2)C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 225650022 XSTCSVUSEOSDIB-GOSISDBHSA-N 422.525 3.406 0 40 HGAB CCCNC(=S)Nc1nc(Sc2ncccn2)cc(N2CCCC[C@@H]2C)n1 225886094 QBMLRHRVPBWTGA-ZDUSSCGKSA-N 403.581 3.493 0 40 HGAB CC1(C)Cc2cccc(OCC(=O)NC[C@H](c3ccco3)N3CCSCC3)c2O1 239846240 KZUBPHCJOBQDEU-QGZVFWFLSA-N 416.543 3.278 0 40 HGAB O=C(CN1c2ccc(F)cc2-c2ccccc2S1(=O)=O)N[C@@H]1C[C@H]2CC[C@H]1C2 260408767 LOBUYTFHSKPYSQ-SUNYJGFJSA-N 400.475 3.306 0 40 HGAB COc1ccc(NC(=O)[C@@]23C[C@H]2CN(c2ccc(Cl)cc2)S3(=O)=O)c(C)c1 260828906 FHDKHKZNYHOWKP-ORAYPTAESA-N 406.891 3.204 0 40 HGAB COc1ccc(N2C[C@H]3C[C@]3(C(=O)Nc3ccc(OC(C)C)cc3)S2(=O)=O)cc1 260840439 VADQABAWXNXXJL-VFNWGFHPSA-N 416.499 3.030 0 40 HGAB COc1cc(OC(F)(F)F)ccc1CN1CCO[C@@]2(CCCC[C@H]2NC(C)=O)C1 306126217 DPUZVKWEINYENO-MOPGFXCFSA-N 416.440 3.244 0 40 HGAB Cn1nccc1C(=O)N1CCC[C@@H](c2nc3ccc(-c4cccc(F)c4)cn3n2)C1 306131779 KPKJKLLUWCSMCE-QGZVFWFLSA-N 404.449 3.289 0 40 HGAB O=C(Nc1cccc(F)c1)c1nnc2n1C[C@H]1CN(Cc3cccc(F)c3)C[C@H]1C2 306141265 VQFYQXBJXIYXFF-HZPDHXFCSA-N 409.440 3.113 0 40 HGAB Cc1cccc(NC(=O)COC(=O)CCS(=O)(=O)c2ccc3ccccc3c2)c1 408647939 VMSIXFOJHAHKJY-UHFFFAOYSA-N 411.479 3.494 0 40 HGAB CCOc1ccc(C(=O)N[C@@H](C)c2ccccc2)cc1S(=O)(=O)N1CCCC1 408696628 CRMVNUZOJLFKBX-INIZCTEOSA-N 402.516 3.361 0 40 HGAB COC(=O)C1(c2ccc(S(=O)(=O)N3CCC[C@H]3Cc3ccc(F)cc3)cc2)CC1 539552424 JBCRLPPJIDDPGI-IBGZPJMESA-N 417.502 3.426 0 40 HGAB CCN1CCN(C(=O)CCOC)[C@H](Cc2ccccc2-c2ccccc2OC)C1=O 585168871 VVJHIKAEIHDBOW-OAQYLSRUSA-N 410.514 3.001 0 40 HGAB O=C(c1ccc(C(F)(F)F)nc1)N1CCC(Cn2cnc(C3CC3)cc2=O)CC1 585632516 ULIRGEYPKYCURT-UHFFFAOYSA-N 406.408 3.087 0 40 HGAB C[C@@H]1CCc2nc(C(=O)N[C@H]3CCc4nc(-c5ccc(F)cc5F)cn4C3)cn2C1 1615613459 VWMIRMQEBUATKD-HIFRSBDPSA-N 411.456 3.352 0 40 HGAB COC(=O)[C@H]1CN(C(=O)NCc2cccc(Br)c2)Cc2ccccc21 1630495917 ALWHITIJQDBGBL-KRWDZBQOSA-N 403.276 3.431 0 40 HGAB CC(C)Oc1cccc(C(=O)N2CCc3nn4ccc(N5CCCC5)nc4c3C2)c1 2055713423 NLDOEXUGIFJJAB-UHFFFAOYSA-N 405.502 3.315 0 40 HGAB Cc1cc(C)c(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)c(C)c1 3547901 WEWDBRNYMBDAAD-UHFFFAOYSA-N 402.516 3.193 0 40 HGAB CC(C)(C)c1ccc(C(=O)N(CCO)Cc2cc3cc4c(cc3[nH]c2=O)OCO4)cc1 4231130 LLLFHLMIXISCJG-UHFFFAOYSA-N 422.481 3.189 0 40 HGAB CC(C)(C)NC(=O)[C@@H](c1ccccn1)N(CCc1ccccc1)C(=O)c1csnn1 4858797 PZIHGPPXWZPHIV-LJQANCHMSA-N 423.542 3.274 0 40 HGAB COC(=O)c1ccc(NC(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)cc1 6346554 ACVVIZBDZBAAIM-UHFFFAOYSA-N 404.488 3.001 0 40 HGAB COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cc(Cl)ccc2Cl)cc1 6545437 LFPVCDLYTQVOBB-UHFFFAOYSA-N 403.287 3.261 0 40 HGAB O=C(NC[C@H]1CCCO1)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(Cl)cc1 6767070 MPRYCFNNPDPECX-QGZVFWFLSA-N 420.918 3.000 0 40 HGAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2C(F)(F)F)cc1 7249420 XXLCRXHJDBXFBC-UHFFFAOYSA-N 416.421 3.363 0 40 HGAB CC(=O)Nc1ccc(NC(=O)CN(c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)cc1 10362953 QMBVQHMWLDLAIJ-UHFFFAOYSA-N 417.531 3.347 0 40 HGAB CS(=O)(=O)Nc1cccc(CNC(=O)c2ccc(COc3ccccc3)o2)c1 10548346 YGPMDHBKHVJRLZ-UHFFFAOYSA-N 400.456 3.160 0 40 HGAB O=C(Nc1nnc(S(=O)(=O)N2CCc3ccccc32)s1)c1cccc(Cl)c1 8588016 QDTANURCCOFUJE-UHFFFAOYSA-N 420.903 3.195 0 40 HGAB Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)OCc2coc(-c3cccs3)n2)cc1 32947387 QIPYHMHOHQYVTR-CYBMUJFWSA-N 406.485 3.122 0 40 HGAB Nc1nc(COC(=O)Cn2c(=O)oc3ccccc32)nc2sc3c(c12)CCCCC3 21976366 LKFRJPRAFHDKSR-UHFFFAOYSA-N 424.482 3.194 0 40 HGAB COc1ccc([C@H]2CCCN2C(=O)CNC(=O)NCc2ccc(F)cc2)c(OC)c1 22386605 SDCZAHJMKVDLPE-LJQANCHMSA-N 415.465 3.006 0 40 HGAB COc1ccc(OCCn2cnc3sc(C(=O)OC(C)C)c(C)c3c2=O)cc1 2890245 LGFTZCZKSCPKHE-UHFFFAOYSA-N 402.472 3.419 0 40 HGAB CN(CC(=O)Nc1ccc(CN2CCOCC2)cc1)Cc1ccccc1N1CCCC1 23762582 RUTDHHRIWQKSGI-UHFFFAOYSA-N 422.573 3.190 0 40 HGAB CCCn1nc(C(=O)NCc2cn(-c3ccccc3)nc2-c2ccccc2)ccc1=O 23751974 HUADNGQHEBXDGZ-UHFFFAOYSA-N 413.481 3.436 0 40 HGAB CCOC(=O)C1=C(CNCc2cccs2)NC(=O)N[C@H]1c1ccccc1Cl 23805682 YRLCJHRCTQXCRZ-KRWDZBQOSA-N 405.907 3.362 0 40 HGAB COc1cc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2C)ccc1I 27530686 JDYUTEXKOSCGSI-GXFFZTMASA-N 409.289 3.157 0 40 HGAB CN1CCN(S(=O)(=O)c2ccc(Sc3cccc(C(F)(F)F)c3)nc2)CC1 12516547 IMHVJTYXUIAASD-UHFFFAOYSA-N 417.478 3.188 0 40 HGAB CCc1c(C(=O)Nc2ccc(OCC(=O)N(C)C)cc2)cnn1-c1ccc(F)cc1 25659564 HJDQCXSEMKVBAR-UHFFFAOYSA-N 410.449 3.293 0 40 HGAB CCOc1ccc(CNC(=O)CN(c2c(C)cc(C)cc2C)S(C)(=O)=O)cc1 22396050 XTRAWXUDQUPFOY-UHFFFAOYSA-N 404.532 3.093 0 40 HGAB CCS(=O)(=O)N(C)c1cc(OC)c(OC)cc1C(=O)Nc1cccc(C)c1C 22252609 ZVRCQSPOXMYTTQ-UHFFFAOYSA-N 406.504 3.359 0 40 HGAB Cc1c(C)c2ccc(O[C@@H](C)C(=O)N[C@@H](Cc3ccccc3)C(=O)O)c(C)c2oc1=O 2098511 XZWXSOOCPGIRQF-LPHOPBHVSA-N 423.465 3.298 0 40 HGAB biogenic CCCOc1ccc(N(CC(=O)N[C@@H](C)c2ccc(F)cc2)S(C)(=O)=O)cc1 22397766 CFFSXUVWIXGKKM-HNNXBMFYSA-N 408.495 3.258 0 40 HGAB CC(C)CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2)cc1 408586451 AGEMMNNWJSESMA-DLBZAZTESA-N 404.532 3.266 0 40 HGAB CC1(C)Cc2c(sc3ncn4nc(C(=O)NCCc5ccccc5)nc4c23)CO1 2221734 MJRKMTJSHPJETK-UHFFFAOYSA-N 407.499 3.163 0 40 HGAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3)c(=O)n2[C@H]1[C@H]1CC=CCC1 26770663 TVNQDCYEUAARGH-HATZQVIFSA-N 408.523 3.106 0 40 HGAB CCS(=O)(=O)c1ccccc1C(=O)NCc1cccc(OCC(F)(F)F)c1 58954207 SOPLCTBEEKBXLI-UHFFFAOYSA-N 401.406 3.351 0 40 HGAB CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)Nc2cc(Cl)ccc2OC)c1C 3307414 WVQJIHRLWFJOLK-UHFFFAOYSA-N 408.838 3.266 0 40 HGAB CC(C)[C@@H](NC(=O)CCN1C(=O)c2ccccc2C1=O)c1ccc2c(c1)OCCCO2 12944902 UZEDUVDWJXMXPI-JOCHJYFZSA-N 422.481 3.348 0 40 HGAB O=C(COc1ccc(C(=O)O[C@@H]2CCOC2=O)cc1)Nc1cccc(C(F)(F)F)c1 3500628 JUTNTBOHPYZXKS-MRXNPFEDSA-N 423.343 3.195 0 40 HGAB O=C(c1ccc(Br)cc1)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 4183410 GUPGJHABOCPSFV-CQSZACIVSA-N 414.346 3.340 0 40 HGAB COc1ccc2cc(C(=O)N[C@@H](Cc3ccccc3)C(=O)NCc3ccco3)[nH]c2c1 13722423 SNEAHXVJWJDZQP-NRFANRHFSA-N 417.465 3.427 0 40 HGAB CCN(CC)c1nc2sc(C(=O)NC[C@H](C)N3C[C@H](C)O[C@H](C)C3)cc2s1 39563682 XOTMPPLPIUVYMK-MELADBBJSA-N 410.609 3.432 0 40 HGAB COc1ccc(OC)c(C[C@H](C(=O)Nc2cccc3ccccc23)c2nn[nH]n2)c1 5483498 LPJLKLIEXZSNMS-SFHVURJKSA-N 403.442 3.335 0 40 HGAB COc1cc(NC(=O)COc2cc(O)c3c(c2)OC(C)(C)CC3=O)cc(OC)c1 6624146 FBZHLBKQISORMN-UHFFFAOYSA-N 401.415 3.171 0 40 HGAB biogenic Cc1ccc(NC(=O)NC(=O)CN(C)CC(=O)Nc2ccccc2Cl)c(C)c1 6606196 XOMUJTRLWDBIII-UHFFFAOYSA-N 402.882 3.175 0 40 HGAB COC(=O)CCNC(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccc(F)cc1 6760492 XHZRIDORBLYTQN-NRFANRHFSA-N 416.449 3.063 0 40 HGAB O=C(Nc1ccsc1C(=O)NC1CCN(Cc2ccccc2)CC1)c1cnccn1 67335679 SJKRDHSTRRSHIB-UHFFFAOYSA-N 421.526 3.185 0 40 HGAB COCCCNC(=O)CSc1nnc(CCc2ccccc2)n1-c1ccccc1 409202391 SGVPMIHFOUBUEC-UHFFFAOYSA-N 410.543 3.297 0 40 HGAB CS(=O)(=O)c1ccc2nc(NC(=O)c3cc(-c4ccccc4O)[nH]n3)sc2c1 9243103 XLZQBPKFXFMASA-UHFFFAOYSA-N 414.468 3.048 0 40 HGAB Cc1noc(C)c1S(=O)(=O)N1CCC2(CC1)C[C@@H]2c1nnc(-c2ccccc2)o1 71889634 ZVNYBURLXHTZOE-MRXNPFEDSA-N 414.487 3.300 0 40 HGAB CCOC(=O)c1cnn(-c2ccc(NC(=O)N[C@H]3CCN4CCCC[C@H]34)cc2)c1C 72282588 JXBGZMMNONHKPX-VQTJNVASSA-N 411.506 3.106 0 40 HGAB CSc1ccc([C@@H]2NC(=O)N(CC(=O)Nc3cccc(C)c3)C3=C2C(=O)OC3)cc1 67288935 OTRNSSDJIFODQM-FQEVSTJZSA-N 423.494 3.233 0 40 HGAB C[C@@H]1CC(=O)N(Cc2ccccc2)c2ccccc2N1C(=O)[C@@H]1CC(=O)N(C2CC2)C1 79025252 ZRNKRUIDIJTTNC-IEBWSBKVSA-N 417.509 3.356 0 40 HGAB Cc1nc2n(c1CN1CCN(C(=O)c3ccc(OCC4CC4)cc3)CC1)CCCC2 95456602 FXLHCNXSEKUWDD-UHFFFAOYSA-N 408.546 3.275 0 40 HGAB O=C(NCc1ccc(F)cc1F)c1nc(-c2ccnn2CC2CC2)n2ccncc12 306140924 VGXAVBBROSYGOE-UHFFFAOYSA-N 408.412 3.211 0 40 HGAB CCNC(=O)CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1 408937767 OPUOAWZWPYELMF-UHFFFAOYSA-N 401.315 3.320 0 40 HGAB Cc1ccc(C(=O)O)cc1NC(=O)c1cccc(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1 408673779 VGMXOALPPZAPQF-HDICACEKSA-N 404.422 3.401 0 40 HGAB Cc1ccc([C@@H](C)NC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)c(C)c1 30756038 UQXLNOQMPLTUFI-KUHUBIRLSA-N 422.934 3.361 0 40 HGAB CC[C@H](C(=O)NCCCc1ccc(OC)cc1)N(c1ccc(F)cc1)S(C)(=O)=O 219111628 NQKULBFUPIIUNP-HXUWFJFHSA-N 422.522 3.128 0 40 HGAB CC(C)(C)c1nnc(NC(=O)c2cnc3sc4c(n3c2=O)CCCCC4)s1 72401313 CAUWQLOVRGRCSI-UHFFFAOYSA-N 403.533 3.426 0 40 HGAB Cc1cnc(NC(=O)[C@@]23CCC(=O)N2c2ccccc2C(=O)N3CCC(C)C)s1 40310363 BVWWSXZHPKAGCA-OAQYLSRUSA-N 412.515 3.415 0 40 HGAB biogenic CN(C)[C@H](CNS(=O)(=O)c1ccccc1Br)c1cccc(F)c1 47032810 WVZUAHJZSVLOKI-OAHLLOKOSA-N 401.301 3.169 0 40 HGAB CS(=O)(=O)Nc1ccc(Cl)c(C(=O)NCC2(c3ccccc3)CCOCC2)c1 223026642 HQUZOTYMRDJNFG-UHFFFAOYSA-N 422.934 3.190 0 40 HGAB CC[C@H](NC(=O)CCN1C(=O)c2ccccc2C1=O)c1nc(-c2ccccc2)c[nH]1 48302590 MLTXAWKEYGURKT-SFHVURJKSA-N 402.454 3.330 0 40 HGAB CCOc1ccc(NC(=O)COC2CCCCC2)cc1S(=O)(=O)N1CCCC1 40141319 NUYDVJPNSSQHJV-UHFFFAOYSA-N 410.536 3.158 0 40 HGAB CCCSc1nnc(NC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)s1 223860866 LWRSCURDQNUTGE-UHFFFAOYSA-N 420.969 3.098 0 40 HGAB CCc1ccccc1N(CCCC(=O)NCCc1ccc(F)cc1)S(C)(=O)=O 224660625 YDDVFNSQHHGJND-UHFFFAOYSA-N 406.523 3.293 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCc3cc(C(=O)NCc4cccnc4)ccc32)cc1 225846832 AAZBMTIGWZOUER-UHFFFAOYSA-N 407.495 3.071 0 40 HGAB O=C(O)c1cccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCO)o2)c1 223593386 NMGGAEQRYSCUNS-RBUKOAKNSA-N 409.467 3.005 0 40 HGAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1Cc1cccnc1 223606205 WSOZLGTVHXNQEQ-FGZHOGPDSA-N 421.570 3.298 0 40 HGAB COc1ccc(-c2nn(CCCC(=O)Nc3ncc(C)s3)c(=O)cc2OC)cc1 96100919 QWVDITANGVULPP-UHFFFAOYSA-N 414.487 3.111 0 40 HGAB C[C@H](NCCCCN[C@H](C)[C@H]1COc2ccccc2O1)[C@H]1COc2ccccc2O1 248257065 OXRDDUYRLVIHPO-GRJZNYKUSA-N 412.530 3.403 0 40 HGAB CC(C)(C)C(=O)N1CCC(c2cccc(N3CC4(CCOCC4)OC3=O)n2)CC1 257279792 OIETYWFARIHQSN-UHFFFAOYSA-N 401.507 3.340 0 40 HGAB Cc1nc([C@H]2CCN(C(=O)C(C)C)C2)nc2c1CC(=O)N2CCc1ccccc1F 257319140 VQYHBKGPGZLRPW-KRWDZBQOSA-N 410.493 3.028 0 40 HGAB CCc1ncnc(O[C@@H]2CCN(C(=O)CSc3c[nH]c4ccccc34)C2)c1F 390827255 FWZULUMAXYKEME-CYBMUJFWSA-N 400.479 3.431 0 40 HGAB COc1ccc(Cl)cc1NC(=O)C1CCN(c2ccc(-n3cccn3)nn2)CC1 62163326 XIOOFZSWKZLWLZ-UHFFFAOYSA-N 412.881 3.179 0 40 HGAB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C\c2cccn2-c2ccc(OC)cc2)C1=O 1163710 UYECYOKDLDAAGM-KAECEXQPSA-N 400.456 3.474 0 40 HGAB CCOc1ccc([C@@H](O)CN2CCC3(CC2)C[C@H](O)c2ccc(OC)cc2O3)cc1 12329554 KZNDCZVLIGJBAR-VXKWHMMOSA-N 413.514 3.478 0 40 HGAB CCOC(=O)C1=C(CN(Cc2ccccc2)C2CC2)NC(=O)N[C@@H]1c1ccc(C)o1 13003231 ABPKTVFCLFXQGW-OAQYLSRUSA-N 409.486 3.424 0 40 HGAB CCOC(=O)c1cccc(NC(=O)CN(c2ccc(C)cc2C)S(C)(=O)=O)c1C 13669378 JUAVTRRZTDXNQM-UHFFFAOYSA-N 418.515 3.193 0 40 HGAB CC(C)CNC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1 13680143 OXJMGYOKZSIUDU-SFHVURJKSA-N 408.907 3.069 0 40 HGAB C[C@@H](Oc1ccccc1F)C(=O)N1CC[C@@H](c2cc(O)nc(-c3ccccn3)n2)C1 19077646 ZGSSUQIKRBYDCN-HUUCEWRRSA-N 408.433 3.167 0 40 HGAB Cc1ccsc1CN1CCc2nc([C@@H]3CCCN3C(=O)C3CCC3)[nH]c(=O)c2C1 19238662 MZERMQURYIAMIX-SFHVURJKSA-N 412.559 3.162 0 40 HGAB O=C1NCCN(C(=O)CCc2ccccc2)C[C@H]1Cc1ccccc1-c1ccncc1 19370829 KGYZAHFPJZVPSY-HSZRJFAPSA-N 413.521 3.499 0 40 HGAB O=C(N[C@@H]1CCCOC1)[C@@H]1CN(Cc2ccccc2)C[C@H]1C(=O)c1ccc(F)cc1 19372522 JKWUOYGZXWWJRX-YPAWHYETSA-N 410.489 3.052 0 40 HGAB COc1ccccc1N1C[C@H](c2cc(=O)[nH]c(N[C@@H]3CCc4ccccc43)n2)CC1=O 19571069 MJPUJDFQDJVRDP-SJLPKXTDSA-N 416.481 3.398 0 40 HGAB Cc1nn(C[C@H](C)C(=O)N2CC[C@@H](c3cc4ncccc4c(=O)[nH]3)C2)c(C)c1Cl 19578038 UTVVOJQVJXNTPQ-SWLSCSKDSA-N 413.909 3.042 0 40 HGAB Cc1nn(C)cc1-c1cc(C(=O)N2CCc3onc(-c4cccc(F)c4)c3C2)on1 19584057 OBJVIZUNUOTQKU-UHFFFAOYSA-N 407.405 3.376 0 40 HGAB CN1C[C@@H](C(=O)Nc2cccc(F)c2)C[C@@H]1C1CCN(C(=O)c2cccnc2)CC1 19587615 IBLPGNRRSLZDQO-GHTZIAJQSA-N 410.493 3.032 0 40 HGAB CO[C@@H]1CCC[C@H](C(=O)N2CCC[C@@H]2c2n[nH]cc2-c2ccnc(N3CCCC3)n2)C1 19592621 HHHITXXSELALQV-SQGPQFPESA-N 424.549 3.336 0 40 HGAB CN1CCc2nc(NC(=O)c3cc(-c4ccnn4C)nc4ccccc34)sc2C1 19664271 RCQPTENPIYZDSD-UHFFFAOYSA-N 404.499 3.332 0 40 HGAB CNc1cc(CN(C)C(=O)CCCc2ccc(F)c(C)c2)nc(C2CCNCC2)n1 19710172 KAAPTSCLDYJGNJ-UHFFFAOYSA-N 413.541 3.414 0 40 HGAB Cc1nc([C@H]2CCCN(C(=O)COc3ccccc3)C2)ncc1C(=O)N1CCCCC1 19763033 SAXCFXOYZGXYLJ-IBGZPJMESA-N 422.529 3.196 0 40 HGAB CCOc1ccc(CN2CCC[C@@H](c3cc(=O)[nH]c(-c4cnccn4)n3)C2)cc1OC 19533802 WCDCKROTKHINAC-QGZVFWFLSA-N 421.501 3.014 0 40 HGAB Cc1ccc(C2=NN(C(=O)COc3ccccc3C(N)=O)[C@H](c3ccco3)C2)cc1 4550303 VHGOBUNHSOWCKM-IBGZPJMESA-N 403.438 3.444 0 40 HGAB Cc1cc(C)n(-c2nc(-c3ccccc3)cc(=O)n2CC(=O)NCc2ccccc2)n1 5254844 HJSPKAKPKONBIC-UHFFFAOYSA-N 413.481 3.029 0 40 HGAB Cc1cc2ncnc(N3CCCN(c4ccc5nc(C(C)(C)C)cn5n4)CC3)c2[nH]1 2298108068 PBCCMAAROALGLQ-UHFFFAOYSA-N 404.522 3.323 0 40 HGAB COC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3)c(=O)n2[C@H]1c1ccc(Cl)cc1 2278448 UPROUBUGGMPZSI-GTVARFKMSA-N 424.909 3.062 0 40 HGAB O=C(Nc1cnc(-c2ccccc2)nc1)[C@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 40091061 UEAUGNWWTHAXKZ-RTBURBONSA-N 422.485 3.064 0 40 HGAB CCCN(CCC)S(=O)(=O)c1c(C)nn(CC(=O)N[C@@H]2CCCC[C@@H]2C)c1C 40155631 UXRKAUBWJLDKRE-MAUKXSAKSA-N 412.600 3.006 0 40 HGAB O=C(O)c1cccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)OCC(F)(F)C(F)F)c1 1446329 ZFLJYPCTGLQGNP-OLZOCXBDSA-N 403.328 3.349 0 40 HGAB COc1ccccc1NC(=O)c1ccc(NC(=O)CSC(=S)N(C)C)cc1 2647319 NRCZGFOWGYVZMO-UHFFFAOYSA-N 403.529 3.466 0 40 HGAB CC(C)(C)C(=O)COC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 3291681 HDAQAYQDJOFKLH-UHFFFAOYSA-N 401.484 3.210 0 40 HGAB CCOC(=O)c1c(NC(=O)COC(=O)/C=C/c2ccco2)sc(C(C)=O)c1C 3388108 KZCJBICNEJIOPE-BQYQJAHWSA-N 405.428 3.224 0 40 HGAB CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)OCC(=O)Nc1c(F)cccc1F 3525841 BYFPHOLSMSPLOE-SFHVURJKSA-N 420.412 3.398 0 40 HGAB aggregator CNc1nc2c(s1)C[C@]1(C)CC[C@H]([C@H](C)C(=O)N3CCSCC3)[C@H](O)[C@H]1[C@@H]2C 3840516 HQSUAJHCASOPJY-DIYSIFBESA-N 423.648 3.449 0 40 HGAB biogenic,in-vitro Cc1oc2c(c(C)cc3oc(=O)c(CC(=O)NCCCN4CCCC4=O)c(C)c32)c1C 4089695 HQJXKRZUFONNQA-UHFFFAOYSA-N 424.497 3.444 0 40 HGAB biogenic COc1ccc(C(=O)NC(=S)Nc2ccc(NC(=O)C(C)C)c(OC)c2)cc1 4122661 UXLMKCMXCUZHGS-UHFFFAOYSA-N 401.488 3.425 0 40 HGAB CC1(C)O[C@H]2[C@H](O1)[C@H]1OC(C)(C)O[C@@H]1O[C@H]2C(=O)Oc1ccc2ccccc2c1 4303718 ZDCHMLLJWMHZBP-IPLXSBJHSA-N 400.427 3.142 0 40 HGAB CCn1c(CC(=O)Nc2ccccc2)nnc1SCC(=O)N1CCc2ccccc21 4816108 IQXQVWBUFZMGMS-UHFFFAOYSA-N 421.526 3.161 0 40 HGAB Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)OCc3c(C)noc3C)CC2)c(C)c1 5936295 UCWJAHNIVLOYGR-UHFFFAOYSA-N 420.531 3.361 0 40 HGAB CN1CCC(N(C)C[C@@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 6083735 QNHZXTRGJXXAGI-JOCHJYFZSA-N 404.501 3.458 0 40 HGAB Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccccc2)cc1 6426924 ZVKLVNGLXQRBIM-QFIPXVFZSA-N 408.523 3.201 0 40 HGAB COc1ccc(-n2nnnc2SCC(=O)c2cccc(Br)c2)cc1 8283806 XGXLWYSYZJZDAJ-UHFFFAOYSA-N 405.277 3.408 0 40 HGAB Cc1ccc(C)c(NC(=O)Cn2nc(CNC(=O)c3ccccc3C)n(C)c2=S)c1 8370020 QDJXOWZLIKUZIR-UHFFFAOYSA-N 423.542 3.445 0 40 HGAB Cc1cccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccccc3C)c(=O)n2C)c1 8656889 WCUBFCIPEVLPBX-UHFFFAOYSA-N 415.497 3.104 0 40 HGAB COc1ccc(OCc2nnc(SCC(=O)c3cc(C)n(C)c3C)n2C)cc1 8941989 YXZQBAJCAHSPPP-UHFFFAOYSA-N 400.504 3.333 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCCN(C(=O)c3cc(C)nc4ccccc34)CC2)cc1 9337781 UCLJGVQYVRSLKP-UHFFFAOYSA-N 423.538 3.388 0 40 HGAB O=C(CCN1C(=O)S/C(=C\c2cccc(F)c2)C1=O)Nc1cccc2nonc12 9348223 MEGMBXOLGFRALP-GDNBJRDFSA-N 412.402 3.427 0 40 HGAB Cc1ccc(S(=O)(=O)CC(=O)Nc2nnc(CCCc3ccccc3)s2)cc1 9426523 OOEVXSNIUUOPOM-UHFFFAOYSA-N 415.540 3.434 0 40 HGAB O=C(CCN1C(=O)c2ccccc2S1(=O)=O)Nc1ccc(F)c(C(F)(F)F)c1 10188049 OOFRDEQVONEMSJ-UHFFFAOYSA-N 416.352 3.018 0 40 HGAB COc1ccc(C(=O)N2C[C@H]3CCCN(Cc4ccc(OC)cc4OC)[C@H]3C2)cc1 12188377 MNEVJVCDJDKOOC-GCJKJVERSA-N 410.514 3.449 0 40 HGAB O=C(Nc1ccccc1)c1cc2ccccc2o/c1=N\NS(=O)(=O)c1ccccc1 12437862 ROLRCKHLUXCSGO-GYHWCHFESA-N 419.462 3.479 0 40 HGAB COc1cc(NC(=O)Cc2c(C)nc3nc(SC)nn3c2C)c(OC)cc1Cl 12871645 OAUREWRWFJMIIN-UHFFFAOYSA-N 421.910 3.315 0 40 HGAB O=C(Nc1cccc(F)c1)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 12903737 HMWNNDXIHGYBLG-UHFFFAOYSA-N 402.491 3.354 0 40 HGAB O=C(N[C@@H]1CCN(Cc2ccccc2)C1)C1CCN(C(=O)/C=C/c2ccccc2)CC1 12908436 RPCISKDIXFTZNH-UWHSVAFCSA-N 417.553 3.329 0 40 HGAB CNC(=O)c1nn(CC(=O)Nc2ccccc2-c2ccccc2)c(=O)c2ccccc12 12976970 SIRGYZWGIVDEOY-UHFFFAOYSA-N 412.449 3.062 0 40 HGAB CCCCn1c(N)c(N(Cc2ccccc2)C(=O)c2cc(C)cc(C)c2)c(=O)[nH]c1=O 13040129 IYZSGAOQQCUCOL-UHFFFAOYSA-N 420.513 3.383 0 40 HGAB CCOC(=O)c1ccc(NC(=O)[C@@H](C)N(c2ccc(C)cc2)S(C)(=O)=O)c(C)c1 13632235 DJTSGMVGFZVKHN-MRXNPFEDSA-N 418.515 3.273 0 40 HGAB Cc1ccc(S(=O)(=O)N(C)CC(=O)NCCSc2ccc(Cl)cc2)cc1 13688580 GGFUJAUCECUASS-UHFFFAOYSA-N 412.964 3.177 0 40 HGAB CCn1c(CC(=O)Nc2ccc(C)cc2)nnc1S[C@H](C)C(=O)NC1CCCC1 13956624 CEBBNHBSUPYAHW-OAHLLOKOSA-N 415.563 3.327 0 40 HGAB CC1(C)CS(=O)(=O)N(c2ccc(C(=O)NCCc3ccc(Cl)cc3)cc2)C1=O 15843127 QZKBAGLDYFADCT-UHFFFAOYSA-N 420.918 3.015 0 40 HGAB CCN(Cc1ccccc1)C(=O)c1cccc(N2C(=O)C(C)(C)CS2(=O)=O)c1 15858593 GXAGBUTZXQSBHU-UHFFFAOYSA-N 400.500 3.052 0 40 HGAB Cc1cc(Cl)cc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@@H]2CCCN21 16033794 MLICOSSRVQCELY-DDOIHHOZSA-N 421.884 3.080 0 40 HGAB Cn1c(=O)n(C)c2cc([C@@H](O)COc3ccc(CNCc4ccccc4)cc3)ccc21 16363942 KIGAGINDZIJYTA-DEOSSOPVSA-N 417.509 3.279 0 40 HGAB O=C(COc1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1c(F)cccc1F 16384120 UMTWRUFFDWQMIV-UHFFFAOYSA-N 410.442 3.157 0 40 HGAB Cc1ccc([C@@H](NC(=O)[C@@H](C)Oc2ccc(-n3cnnn3)cc2)c2cccnc2)cc1 19136581 MZHDMAUHNGSPDR-VGOFRKELSA-N 414.469 3.039 0 40 HGAB O=C(CCCc1nc(-c2ccc(F)cc2)no1)N1CCN(c2nccs2)CC1 19336952 GXLUKTMJRUUJNB-UHFFFAOYSA-N 401.467 3.004 0 40 HGAB CCOc1ncccc1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)c1cc(=O)[nH]c(C)n1 19531528 FCYDMLGTWCPLSJ-IBGZPJMESA-N 417.469 3.067 0 40 HGAB COc1nn(CC(=O)Nc2ccccc2CN2CCCCC2)c(=O)c2ccccc12 19594904 ZSLOBFRZQDKVJQ-UHFFFAOYSA-N 406.486 3.030 0 40 HGAB Cc1cc(Cl)ccc1OCC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 19877521 LZLOSXLJJRPWRZ-UHFFFAOYSA-N 402.878 3.100 0 40 HGAB COc1ccccc1[C@H](c1nnnn1C(C)(C)C)N1CCN(c2ccccc2)CC1 20139540 YXYJSVXRFQHHCS-OAQYLSRUSA-N 406.534 3.348 0 40 HGAB COc1ccc(NC(=O)c2cccnc2N2CCN(C(=O)OC(C)(C)C)CC2)cc1 20388364 KUNZMTHLGIEOFD-UHFFFAOYSA-N 412.490 3.400 0 40 HGAB CCc1ccc(NC(=O)CN2CCCN(Cc3ccccc3Cl)S2(=O)=O)cc1 21531311 KGMAYAMKIUHFGR-UHFFFAOYSA-N 421.950 3.294 0 40 HGAB CN1CCN([C@H](c2cccs2)c2sc3nc(-c4ccco4)nn3c2O)CC1 22577402 YDJJCEWSISCMHU-CQSZACIVSA-N 401.517 3.155 0 40 HGAB CC[C@@H](CNC(=O)CN(C)S(=O)(=O)c1ccc(Cl)s1)c1ccccc1 23747731 ALSVZAKSDNSYPW-ZDUSSCGKSA-N 400.953 3.332 0 40 HGAB CCCN(CC(=O)Nc1ccccc1C)C(=O)c1nn(CC)c(=O)c2ccccc12 24650768 CXFODZRDZNQTQH-UHFFFAOYSA-N 406.486 3.216 0 40 HGAB CCOC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(C[C@@H](O)c2ccc(F)cc2)CC1 25225668 MSRZXJQDVOYUCA-RTWAWAEBSA-N 420.912 3.435 0 40 HGAB CCOC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2Cl)CC1 27823671 GMNIYBLDQUSIJX-UHFFFAOYSA-N 401.699 3.110 0 40 HGAB CCOC(=O)c1cc(Cl)c(OS(=O)(=O)c2ncn(C)c2Cl)c(Cl)c1 27945867 DENWWUCFJRNJIX-UHFFFAOYSA-N 413.666 3.325 0 40 HGAB COc1ccccc1N1C(SCc2ccccc2F)=N[C@@H]2CS(=O)(=O)C[C@H]21 32641131 LDCBWAKGCFJNAC-NVXWUHKLSA-N 406.504 3.109 0 40 HGAB O=C(COc1cccc(C(F)(F)F)c1)NCCOc1cc(N2CCCCC2)ncn1 35598386 UWJXFZPJEXSHNB-UHFFFAOYSA-N 424.423 3.060 0 40 HGAB O=C(NCc1cccc(NC(=O)C2CC2)c1)c1nc(N2CCCCC2)ncc1Cl 36392652 QDKGFBWFBYFNJY-UHFFFAOYSA-N 413.909 3.399 0 40 HGAB CCOC(=O)N1CCC(NC(=O)Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)CC1 40119786 MVFPGJINCWEEAG-UHFFFAOYSA-N 418.925 3.422 0 40 HGAB CCOc1cccc(NC(=O)[C@@H]2CCN(S(C)(=O)=O)c3cc(Cl)ccc3O2)c1 44911345 PBZFEWLOOZFNMF-SFHVURJKSA-N 424.906 3.295 0 40 HGAB COC(=O)c1cc(CN(C)C(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)oc1C 48297134 KCRROUJERKDQID-ZDUSSCGKSA-N 404.850 3.040 0 40 HGAB COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1Cc1noc(C(C)(C)C)n1 51532074 OMLITRWQTHYTQY-OAHLLOKOSA-N 403.479 3.047 0 40 HGAB CCOC(=O)C1=C(CN2CCc3ccccc3C2)NC(=O)N[C@@H]1c1cccc(F)c1 57415607 USWSVZMABZNFPY-OAQYLSRUSA-N 409.461 3.055 0 40 HGAB CCOc1ccccc1N1CCN(CC(=O)Nc2ccc3c(c2)OCCCO3)CC1 57688624 RFJWPVXXWJAGRY-UHFFFAOYSA-N 411.502 3.007 0 40 HGAB O=C(Nc1ccc[nH]c1=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 58433098 HZZNVXBESMGLFJ-UHFFFAOYSA-N 400.788 3.297 0 40 HGAB CNC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 61446128 JCEHIZHODMICNP-GFCCVEGCSA-N 405.376 3.057 0 40 HGAB CCOC(=O)c1cnn(-c2ccc(SCC(=O)Nc3ccc(F)cc3)nn2)c1C 67240341 ICPJATQIZXHVHD-UHFFFAOYSA-N 415.450 3.017 0 40 HGAB Cc1nc2sccn2c1CN1CCC[C@@H](c2cc(=O)[nH]c(-c3ccncc3)n2)C1 72392985 RPMOTQMZFSBBCU-MRXNPFEDSA-N 406.515 3.229 0 40 HGAB Cc1cc(C)nc(Nc2ccc(C(=O)N3CCn4c(nnc4C(F)(F)F)C3)cc2)n1 79464370 ZCISCCXNVWJESM-UHFFFAOYSA-N 417.395 3.103 0 40 HGAB Cc1ccccc1CN1CCN(C(=O)c2ccc(S[C@@H]3CCOC3=O)cc2)CC1 84243918 ZZDQKCUOPFEDEA-OAQYLSRUSA-N 410.539 3.361 0 40 HGAB Cc1cnccc1CCNC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1 89702450 FCFFNMHECKDUAL-UHFFFAOYSA-N 409.511 3.188 0 40 HGAB C[C@H](NC(=O)CN1C(=O)N[C@](C)(c2ccccc2)C1=O)c1ccc2ccccc2c1 89905125 AUHCPOMPVWDQQI-UPCLLVRISA-N 401.466 3.484 0 40 HGAB CCOc1cc(/C=C2/N=C(c3ccccc3)OC2=O)ccc1O[C@H](C)C(=O)N(C)C 96634895 YFGUBVKNFYNXKT-COYFKBPASA-N 408.454 3.285 0 40 HGAB COc1ccc(N2C(=O)[C@@H]3[C@@H](ON(c4ccccc4C)[C@H]3c3cccnc3)C2=O)cc1 102873093 PWQSEFAZOVLDGP-FDFHNCONSA-N 415.449 3.450 0 40 HGAB O=C(Nc1cccc(CNC(=O)[C@H]2CCCCN2C(=O)c2ccco2)c1)c1ccco1 108619367 YJBLDPMXVSLLJH-GOSISDBHSA-N 421.453 3.436 0 40 HGAB CCOC(=O)c1ccc(NC(=O)CCCN(C)S(=O)(=O)c2ccccc2)c(C)c1 219722928 SRIDFOXHSQHZEA-UHFFFAOYSA-N 418.515 3.211 0 40 HGAB O=C(c1cnn(-c2ccccc2)n1)N1CCC[C@@H](Cc2nc(-c3ccsc3)no2)C1 220891173 RSJUQLHTIFSEKA-HNNXBMFYSA-N 420.498 3.474 0 40 HGAB CS(=O)(=O)N(CCCC(=O)Nc1cccc(Cl)c1)c1ccc2c(c1)OCCO2 222669785 YWKXAEOYLVGDIB-UHFFFAOYSA-N 424.906 3.296 0 40 HGAB CS(=O)(=O)N(CC(=O)NCCSC1CCCC1)c1cccc(C(F)(F)F)c1 222881208 XBKFUPHIRPSOQP-UHFFFAOYSA-N 424.510 3.263 0 40 HGAB CCOc1ccc(C(=O)N2CCC(C(N)=O)CC2)cc1COc1ccccc1OC 224580120 NJQIOKXGERIWLA-UHFFFAOYSA-N 412.486 3.010 0 40 HGAB O=C(Cn1ccc(=O)c2cc(Br)ccc21)Nc1ccc2c(c1)OCCO2 225729154 KFGBBZSGGUPFGL-UHFFFAOYSA-N 415.243 3.174 0 40 HGAB CCSc1nnc(NC(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)s1 225764889 QLLQFJALFUBTHP-UHFFFAOYSA-N 414.578 3.178 0 40 HGAB Cc1cc(C)cc(N(CN2C(=O)[C@@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@H]3C2=O)C(=O)C(F)(F)F)c1 226401017 GEIPTPIPTRNSCC-PDCGBLAGSA-N 418.415 3.209 0 40 HGAB Cc1nn(CCNC(=O)c2ccc(N3C(=O)CCC3=O)cc2)c(C)c1-c1ccccc1 238885849 PZNMCEZPAJRQQM-UHFFFAOYSA-N 416.481 3.250 0 40 HGAB Cn1nc(C(=O)N2CC[C@H](Oc3ccccc3)[C@@](C)(O)C2)cc1-c1ccc(F)cc1 257271207 MXHVGBUJDVMBAE-GMAHTHKFSA-N 409.461 3.271 0 40 HGAB CCn1cc(C(=O)N2CCC(COc3ccc(Cl)cc3)(CC(N)=O)CC2)c(C)n1 257290363 QCQYQZXGDJIYTO-UHFFFAOYSA-N 418.925 3.042 0 40 HGAB O=C(Nc1ccc(OC(F)(F)F)cc1)[C@]12C[C@H]1CN(c1ccccc1)S2(=O)=O 260836418 PEHBJVKGFWOSRV-SJCJKPOMSA-N 412.389 3.132 0 40 HGAB Cc1ccc(CNC(=O)c2ccccc2NC(=O)C(=O)NCc2cccc(C)c2)cc1 408710326 XKDHIWLPLNHRSY-UHFFFAOYSA-N 415.493 3.488 0 40 HGAB Cc1cccc(CSCCNC(=O)CN(c2ccc(C)cc2C)S(C)(=O)=O)c1 408925550 USOQDCJFWMZJGK-UHFFFAOYSA-N 420.600 3.427 0 40 HGAB COc1ccc(NC(=O)C2=NO[C@@]3(CCCN(Cc4cccc(OC)c4)C3)C2)cc1 1203821845 XIXLAESLFOMIGK-QHCPKHFHSA-N 409.486 3.453 0 40 HGAB COCCN(C[C@H]1CCCN2CCCC[C@@H]12)C(=O)NCCc1ccc(OC)cc1 1565519478 ASLISZIYQIFXFJ-IRLDBZIGSA-N 403.567 3.160 0 40 HGAB biogenic O=C1NCC2(CC=CCCOc3ccccc31)CCN(C(=O)C1CCOCC1)CC2 2037818726 UOOZUHAKVRNCQD-UHFFFAOYSA-N 412.530 3.181 0 40 HGAB CC1CCN(C(=O)COc2ccc(S(=O)(=O)N[C@H](C)c3ccccc3)cc2)CC1 802390 QITFTAXFGVNDKV-GOSISDBHSA-N 416.543 3.363 0 40 HGAB CCOc1ccc2[nH]c(=O)c(CN(CCO)C(=S)Nc3cccc(C)c3)cc2c1 884854 PWPUHQXLCGAZHN-UHFFFAOYSA-N 411.527 3.427 0 40 HGAB C[C@@](O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 1388636 CLZXGTNYJRVOQO-MRXNPFEDSA-N 405.369 3.008 0 40 HGAB C/C(NCc1ccccc1C(F)(F)F)=C1/C(=O)NC(=O)N(c2ccccc2F)C1=O 1407320 OVFVMRAUKDJNMD-LFIBNONCSA-N 421.350 3.491 0 40 HGAB O=C(COC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)Nc1cccc(C(F)(F)F)c1 1985858 VUGGXMJWFJQLRT-OAHLLOKOSA-N 420.387 3.236 0 40 HGAB Cn1nc(C(F)(F)F)c(Cl)c1C(=O)Nc1sc2c(c1C(N)=O)CCCC2 2780329 RLMJSMUTLOEEFN-UHFFFAOYSA-N 406.817 3.384 0 40 HGAB COc1cc(OC)cc(C(=O)OCc2nc3sc4c(c3c(=O)[nH]2)CC[C@@H](C)C4)c1 3271299 OCFLPVNOAOBEHY-LLVKDONJSA-N 414.483 3.484 0 40 HGAB COCCn1c(C)cc(C(=O)COC(=O)/C=C/c2cc3ccccc3[nH]c2=O)c1C 3303566 TXKQUMUVIAAFQU-CMDGGOBGSA-N 408.454 3.032 0 40 HGAB C[C@]12C(=O)N(CCc3c[nH]c4ccccc34)CC(=O)N1CCc1c2[nH]c2ccccc12 4029670 QEQKVPZEYRDXOW-VWLOTQADSA-N 412.493 3.334 0 40 HGAB biogenic CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)COc2ccc(C)cc2)c1 4070978 HBRJUSXFTNPSFP-UHFFFAOYSA-N 406.504 3.052 0 40 HGAB CCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccc(C)c(C)c3)cc2)CC1 4121624 CGAAMYOVHCHBPV-UHFFFAOYSA-N 424.570 3.489 0 40 HGAB CCOC(=O)c1sc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)nc1C 4998949 SKLNXJZZFAYPCW-CQSZACIVSA-N 401.488 3.237 0 40 HGAB CCn1c(SCC(=O)Nc2ccc3c(c2)OCO3)nnc1-c1cccc(OC)c1 5499042 FIHIPHXSILLDDT-UHFFFAOYSA-N 412.471 3.433 0 40 HGAB CCn1c(SCC(=O)NC2CCCC2)nnc1[C@@H](C)NC(=O)c1ccccc1C 6226051 ODINHRNPGMPUOX-OAHLLOKOSA-N 415.563 3.248 0 40 HGAB Cc1cccc(N2C(=O)/C(=C/c3cn(CC#N)c4ccccc34)C(=O)NC2=S)c1 6267969 IECHBQQVFHWRLX-LDADJPATSA-N 400.463 3.305 0 40 HGAB CCOC(=O)N1CCC(NC(=O)CN(C)Cc2cccc(Cl)c2Cl)CC1 7292789 PGGWQCXHTSRFQO-UHFFFAOYSA-N 402.322 3.162 0 40 HGAB COc1cc(OC)c(OC)cc1CNC(=O)c1ccc(Cl)cc1N1CCCC1=O 7437088 VLHDNNDRMSXYES-UHFFFAOYSA-N 418.877 3.423 0 40 HGAB Cc1ccc(-n2nnnc2SCc2nc3ccc(Cl)cc3n2CCO)cc1 7487028 MDRJNTCFJQBEDM-UHFFFAOYSA-N 400.895 3.258 0 40 HGAB CCC(=O)N(c1nnc(SCc2cc(=O)n3c(C)cccc3n2)s1)C1CC1 7672840 FHOIKMQZYMVEDT-UHFFFAOYSA-N 401.517 3.052 0 40 HGAB COc1ccc(OC)c(-c2csc(NC(=O)[C@H]3CS[C@]4(C)CCC(=O)N34)n2)c1 7757659 OCQAGXPYYYTJRZ-AUUYWEPGSA-N 419.528 3.220 0 40 HGAB CC(C)Cn1c(CCC(N)=O)nnc1S[C@H](C)C(=O)Nc1ccc(Cl)cc1 7845396 JJAIGWHIKLLEEZ-GFCCVEGCSA-N 409.943 3.125 0 40 HGAB Cc1ccc(C)c(-n2nnnc2SCC(=O)Nc2ccnn2Cc2ccccc2)c1 7988986 JVYBZWQNMLBLEN-UHFFFAOYSA-N 419.514 3.255 0 40 HGAB C[C@H](c1nc2ccccc2s1)N(C)C(=O)CCN1C(=O)NC2(CCCC2)C1=O 8347829 KURCIWDMPMYTCK-CYBMUJFWSA-N 400.504 3.070 0 40 HGAB COc1ccc(N(Cc2cc3cc(OC)ccc3[nH]c2=O)C(=O)[C@H]2CCCO2)cc1 8606826 PHWQCNTXIZBRAY-OAQYLSRUSA-N 408.454 3.258 0 40 HGAB Cc1ccc(Cn2c(NCc3ccc(Cl)cc3)nc3c2c(=O)n(C)c(=O)n3C)cc1 8774831 MZZMBWZRKPQRNG-UHFFFAOYSA-N 423.904 3.056 0 40 HGAB O=C(Cn1c(=O)cnc2ccccc21)N1CCC[C@@H](c2nc3ccccc3s2)C1 8777415 JQGJHPXCCFKHJI-OAHLLOKOSA-N 404.495 3.412 0 40 HGAB COc1ccc(OC)c(N2C(=O)N=C(O)[C@@]3(Cc4cc(C)ccc4N(C)C3)C2=O)c1 9015678 GRYSOAFXYIUDCT-QFIPXVFZSA-N 409.442 3.114 0 40 HGAB CCOc1ccc(N2C[C@H](CNS(=O)(=O)c3c(C)cc(C)cc3C)CC2=O)cc1 9036042 XMGPYXTUTGYDFX-SFHVURJKSA-N 416.543 3.342 0 40 HGAB Cc1ccc(-n2nnnc2SCC(=O)N2CCS[C@@H]2c2ccccc2F)cc1 9366587 XDYZTKXOQUPUQQ-GOSISDBHSA-N 415.519 3.476 0 40 HGAB CCc1nnc2sc(-c3ccc(OC)c(NC(=O)c4ccc5c(c4)OCO5)c3)nn12 9484839 LXBHTVKIBYBNEL-UHFFFAOYSA-N 423.454 3.405 0 40 HGAB C[C@H](OC(=O)c1ccc(Cl)c(S(C)(=O)=O)c1)C(=O)N1c2ccccc2C[C@@H]1C 10241545 KGENJAKNQDHRCF-STQMWFEESA-N 421.902 3.267 0 40 HGAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(F)c(Cl)c2)cc1C 10301269 MJVLMNJDVGLPND-UHFFFAOYSA-N 414.886 3.445 0 40 HGAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccccc3C(N)=O)cc2C)cc1 10365979 YZKMUWRUISJPHS-UHFFFAOYSA-N 423.494 3.455 0 40 HGAB Cc1ccccc1C(=O)N1CCC2(CC1)NC(=O)N(Cc1ccc(Cl)cc1)C2=O 11694081 YKSILQQHGOJYNV-UHFFFAOYSA-N 411.889 3.375 0 40 HGAB O=C(Cn1nc(C(=O)N2CCOCC2)cc1C1CC1)Nc1ccc(Cl)c(Cl)c1 11929947 BCHXWBSBVHADTK-UHFFFAOYSA-N 423.300 3.178 0 40 HGAB Cn1cc(Cl)c([C@@H]2CCCCCN2S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)n1 12159721 NPTHHIBKGHCHPK-KRWDZBQOSA-N 422.938 3.264 0 40 HGAB CC(C)c1cc(C(F)(F)F)n2nc([C@@H]3CCCN3C(=O)[C@H]3CC(=O)N(C)C3)cc2n1 12230385 LYHQFBOLNJUQRN-WFASDCNBSA-N 423.439 3.013 0 40 HGAB COc1c(Br)cc(F)cc1NS(=O)(=O)c1ccc2c(c1)OCCO2 12752669 WZWYGZGBEXHTCT-UHFFFAOYSA-N 418.240 3.169 0 40 HGAB Cc1cccc(O[C@@H](C)C(=O)N(Cc2nc3ccccc3c(=O)[nH]2)C[C@H]2CCCO2)c1 12765497 FSZVJKORMXTIRN-PKOBYXMFSA-N 421.497 3.207 0 40 HGAB Cc1ccc(NCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1Cl 12793376 HUJKTEUNWZEJTE-UHFFFAOYSA-N 407.923 3.484 0 40 HGAB COc1ccc(Cl)cc1-c1n[nH]c(SCN2C(=O)c3ccccc3C2=O)n1 12803129 IWZDHSTZXMYFML-UHFFFAOYSA-N 400.847 3.480 0 40 HGAB CCOC(=O)N1CCC(NS(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CC1 12896417 AJVVRPPGCDHRRA-UHFFFAOYSA-N 414.833 3.258 0 40 HGAB C[C@@H](c1nc(C(C)(C)C)no1)N1CCN(C(=O)c2ccccc2OC(F)F)CC1 12904465 OLIKSFOETLGJSW-ZDUSSCGKSA-N 408.449 3.488 0 40 HGAB O=C(NC1CCCC1)c1ccccc1NC(=O)[C@H]1CCCN(C(=O)c2ccoc2)C1 12923775 MUEQDJSRWNZJIZ-INIZCTEOSA-N 409.486 3.443 0 40 HGAB CSCC[C@H](NC(=O)COc1ccccc1)C(=O)N1CCC[C@@H](C(F)(F)F)C1 12974478 DTULPOYLPDWUFC-ZBFHGGJFSA-N 418.481 3.104 0 40 HGAB CSCC[C@H](NC(=O)COc1ccccc1)C(=O)OCCOc1ccc(F)cc1 12988762 SCTAMTUCDKFUHS-IBGZPJMESA-N 421.490 3.065 0 40 HGAB C[C@H](NCC(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1cccc(F)c1 13038723 BEVSCLIXBHGXTD-INIZCTEOSA-N 419.522 3.290 0 40 HGAB O=C(COc1ccc2nc3n(c(=O)c2c1)CCC3)Nc1cccc(C(F)(F)F)c1 13689654 NJUXPIDWTPUYDG-UHFFFAOYSA-N 403.360 3.379 0 40 HGAB CC[C@H](C(=O)Nc1ccccc1C(=O)OC)N(c1ccc(Cl)cc1)S(C)(=O)=O 13714207 VXJTXKQULUDSPV-QGZVFWFLSA-N 424.906 3.310 0 40 HGAB COc1cc(C(=O)Nc2ccccc2C(=O)NCc2ccco2)cc(OC)c1OC 14003311 OUYHOKGOLRERPT-UHFFFAOYSA-N 410.426 3.488 0 40 HGAB Cn1c(=O)n(CCC(=O)NCCCCOc2ccc(Cl)cc2)c2ccccc21 14846089 OEAXOQZYZIZPRF-UHFFFAOYSA-N 401.894 3.359 0 40 HGAB COC(=O)[C@](NC(=O)c1cccc(Cl)c1)(Nc1cc(C)ccn1)C(F)(F)F 17241666 IZJFYSZBCGPAFK-MRXNPFEDSA-N 401.772 3.317 0 40 HGAB O=C(CN1Cc2ccccc2C1)N1CCC[C@H](n2c(=O)oc3ccc(Cl)cc32)C1 19375535 XJXKMVYDWCKZGB-SFHVURJKSA-N 411.889 3.427 0 40 HGAB COc1ccc(CN2CCC[C@H](c3nc(-c4ccncc4)cc(=O)[nH]3)C2)c(OC)c1 19552309 PPCYKROBTPPCPH-SFHVURJKSA-N 406.486 3.229 0 40 HGAB Cc1nc2ccccc2c(=O)n1CC(=O)NC[C@@H](c1ccc(F)cc1)N1CCCCC1 19664924 CDRIFTHTEYDSFJ-QFIPXVFZSA-N 422.504 3.187 0 40 HGAB COc1c(C)cccc1C(=O)NCCc1nc(C)ncc1C(=O)Nc1ccccc1F 19697192 XROKDILMHLDVPI-UHFFFAOYSA-N 422.460 3.466 0 40 HGAB O=C(NCCc1ccccc1)[C@H]1CCCN(S(=O)(=O)Cc2cccc(Cl)c2)C1 19860102 ZOMBWFUYXHQDHK-IBGZPJMESA-N 420.962 3.241 0 40 HGAB Cc1ccc([C@@H](NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)c2ccccc2)cc1 20039432 RMAJXEJIMAPQAP-QFIPXVFZSA-N 420.490 3.045 0 40 HGAB CCOC(=O)c1cnc2c(-c3ccc(Br)cc3)c(COC)nn2c1N 20635994 HKVRQMGUKKLUQY-UHFFFAOYSA-N 405.252 3.064 0 40 HGAB CCOC(=O)C1CCN([C@@H](c2cccs2)c2c(O)cc(C)n(CC)c2=O)CC1 22697537 ZCIUTGBITYEVIZ-IBGZPJMESA-N 404.532 3.308 0 40 HGAB O=C(CCN1C(=O)NC2(CCCC2)C1=O)Nc1nc(-c2ccc3c(c2)CCC3)cs1 23845629 JAADGCNRRNIBEX-UHFFFAOYSA-N 424.526 3.492 0 40 HGAB COc1cc(OC)cc([C@@H](NC(=O)NCCc2cccs2)c2nccn2C)c1 29324549 TXNSYPSUIFDMQE-GOSISDBHSA-N 400.504 3.130 0 40 HGAB COc1cccc([C@H](NS(=O)(=O)c2cccc3cc(C)cnc23)c2nccn2C)c1 29352857 PRKNBUAKPNRZPK-NRFANRHFSA-N 422.510 3.353 0 40 HGAB Cc1ccc(Nc2nc(Nc3ccc4c(c3)OCCO4)nc(N3CCOCC3)n2)cc1 32604230 LHIFCABMGUQJGI-UHFFFAOYSA-N 420.473 3.275 0 40 HGAB COc1cccc(-c2nc(/C=C3/C(=O)N(CC(=O)O)C(=O)c4ccccc43)cs2)c1 32741443 NGAJXBVVEWUSJV-VCHYOVAHSA-N 420.446 3.426 0 40 HGAB Cc1ccc(-c2cc(C(=O)N(C)Cc3ccccc3)nn2[C@H]2CCS(=O)(=O)C2)cc1 33325530 UFJOXTOOSLEWLP-FQEVSTJZSA-N 423.538 3.490 0 40 HGAB CCn1c(Cc2ccc(OC)c(OC)c2)nnc1SCC(=O)NC1CCCCC1 39762696 PUUZGVMZUNMWCO-UHFFFAOYSA-N 418.563 3.447 0 40 HGAB CCOC(=O)N1CCN(C(=O)c2cc(C3CC3)nc3c2c(C)nn3C(C)(C)C)CC1 40128413 QZNALFNQZKBHOV-UHFFFAOYSA-N 413.522 3.286 0 40 HGAB CSc1nccn1-c1cccc(C(=O)N(C)Cc2nc3ccccc3c(=O)[nH]2)c1 40135733 YPXLZKXLGNNHJS-UHFFFAOYSA-N 405.483 3.103 0 40 HGAB Cc1cccc(-c2nn3c(=O)cc(CNC(=O)COc4ccccc4C)nc3s2)c1 41078162 NNUJUUBVUSTBAC-UHFFFAOYSA-N 420.494 3.130 0 40 HGAB Cc1cc(C)cc(N(CC(=O)NCc2ccc(OC(C)C)cc2)S(C)(=O)=O)c1 44946891 PKMZTFFRDSGUDQ-UHFFFAOYSA-N 404.532 3.173 0 40 HGAB Cc1cc(O)c(C(=O)O)cc1S(=O)(=O)Nc1ccc(F)cc1Br 46056010 RJABWPYMKBQFQZ-UHFFFAOYSA-N 404.213 3.101 0 40 HGAB CSc1cccc(NC(=O)Cn2c(N3CCc4ccccc4C3)nc(C)cc2=O)c1 57506547 GVSNPRUYUDOPJM-UHFFFAOYSA-N 420.538 3.475 0 40 HGAB Cc1cc(NC(=O)CN2C(=O)NC3(C2=O)[C@@H](C)CCC[C@H]3C)ccc1N1CCCC1 57854310 QWCZNQHKNHSWKE-NWMVZANLSA-N 412.534 3.280 0 40 HGAB C[C@@H](NC(=O)CN1C(=O)Cn2c(cc3ccccc32)C1=O)c1cc2ccccc2o1 58159175 AKDYMLVKUYPVTC-CQSZACIVSA-N 401.422 3.247 0 40 HGAB CCC(CC)[C@@H](CNC(=O)COc1ccc(C(F)(F)F)cc1)N1CCOCC1 59010031 URWUUCLCQBKMSF-GOSISDBHSA-N 402.457 3.337 0 40 HGAB CC(C)c1nccn1CCC(=O)Nc1ccccc1[C@H]1NC(=O)c2cccnc2N1C 72347379 KNQSJYLUZRHHFP-QFIPXVFZSA-N 418.501 3.309 0 40 HGAB COCCC(=O)N1CCCC[C@H]1c1nc(C)c2c(n1)N(CC1CCCCC1)C(=O)C2 72371860 HLHVIBQTWZJELD-IBGZPJMESA-N 414.550 3.345 0 40 HGAB C[C@]1(c2cccc(C(=O)N3CCc4[nH]c5ccc(Cl)cc5c4C3)c2)NC(=O)NC1=O 84668187 NPSUSFMSLVJMBE-JOCHJYFZSA-N 422.872 3.074 0 40 HGAB C[C@H](COCC(F)(F)F)NC(=O)[C@@]12CCC(=O)N1c1cc(Cl)ccc1S2 95385602 KNFSTNWCRKMBCQ-PSLIRLAXSA-N 408.829 3.352 0 40 HGAB Cc1ccc(-c2noc([C@H](C)N3CCN(C(=O)Cc4ccccn4)CC3)n2)cc1F 95941272 WZDSAYHPLPDJOC-INIZCTEOSA-N 409.465 3.027 0 40 HGAB O=C(C[C@@H]1CC2(CCN(C(=O)c3ccco3)CC2)c2ccccc21)N1CCOCC1 96052823 CUCWAEJTWPZIPZ-GOSISDBHSA-N 408.498 3.190 0 40 HGAB O=C(COc1ccc2occ(-c3ccc(Cl)cc3)c2c1)N[C@@H]1CCS(=O)(=O)C1 96118701 RKOMWLMTRFVXQL-OAHLLOKOSA-N 419.886 3.435 0 40 HGAB Cc1cccc(CN2CCC[C@@]3(CCN(S(=O)(=O)c4cccc(F)c4)C3)C2)n1 96216220 NSIASIFOYNHOHM-OAQYLSRUSA-N 403.523 3.206 0 40 HGAB COc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC(=O)Cn1nc2c(cc1=O)CCCCC2 96231454 HZABAWMWYDMPQY-OAQYLSRUSA-N 420.513 3.196 0 40 HGAB C[C@H](C(=O)NCc1ccc2ccccc2c1)N(c1cccc(F)c1)S(C)(=O)=O 222807663 HZSLYKKMEROGGL-OAHLLOKOSA-N 400.475 3.450 0 40 HGAB CCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(OC)c(OC)c1 222882323 UHUDWZUIZWLPRN-MRXNPFEDSA-N 416.493 3.329 0 40 HGAB CC[C@@H](NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1)c1ccc2c(c1)CCCC2 223129537 VEGNZIGYEUCNPS-HXUWFJFHSA-N 407.557 3.399 0 40 HGAB COCCn1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c1C 223306382 WRNFINVZKZZPCA-WMQCIHAUSA-N 414.575 3.298 0 40 HGAB COc1ccc(S(=O)(=O)Nc2ccccc2C(C)C)cc1N1C(=O)CCC1=O 223541600 LSDMPLYAIOBKIF-UHFFFAOYSA-N 402.472 3.273 0 40 HGAB COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccn(-c2ccccc2)c1 223706682 KQVHYEASUBAKEB-NHCUHLMSSA-N 406.511 3.408 0 40 HGAB Fc1ccc(CNC(=S)Nc2nc(N3CCCC3)cc(N3CCCC3)n2)cc1 225947018 ADORUVPBDMHRBR-UHFFFAOYSA-N 400.527 3.303 0 40 HGAB COc1ccccc1CNC(=O)[C@H]1C[C@H]2CC[C@H]1C[C@]21NC(=O)c2ccccc2O1 248116669 BOIGXBXCILJVCI-YVMJFWTCSA-N 406.482 3.266 0 40 HGAB Cc1cc(C)cc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCCC[C@H]4C)nc(O)c32)c1 253578406 YHFAZMJRHXMLJW-ZBFHGGJFSA-N 409.490 3.242 0 40 HGAB Cc1ccc2c(c1)N(S(=O)(=O)c1ccccc1)C[C@H](C(=O)N[C@H](C)C(C)C)O2 260912925 YZKUYIILFZNUNX-OXQOHEQNSA-N 402.516 3.112 0 40 HGAB CCS(=O)(=O)N(CC(=O)Nc1ccc(F)c(Cl)c1)c1ccc2c(c1)OCO2 408703661 VXZMHYOXGPZUQD-UHFFFAOYSA-N 414.842 3.003 0 40 HGAB Cc1cc(C)cc(NC(=O)CSc2nnc(CNC(=O)c3ccccc3C)n2C)c1 409055287 DPVVWUQGMGFGBT-UHFFFAOYSA-N 423.542 3.401 0 40 HGAB O=C(N[C@H]1C(=O)N/[N+](=C\c2ccc(Cl)cc2)[C@H]1c1ccccc1)c1ccc(F)cc1 409061016 BMOJUHRJCJKIAF-CIPQKONYSA-O 422.867 3.495 0 40 HGAB OCCN(Cc1cnn(Cc2ccccc2)c1)Cc1cnn(Cc2ccccc2)c1 539830336 LXAAUCWSRJWWGA-UHFFFAOYSA-N 401.514 3.171 0 40 HGAB Cc1nc(/C=C/C(=O)N2CCC[C@H]2c2nccnc2Nc2ncccc2C)cs1 585291839 UFABNZWPXTZVBC-OZSKJFCKSA-N 406.515 4.065 0 40 HGAB CN(CC(=O)NC(c1ccccc1)c1ccccc1)C(=O)N[C@H]1CCN(CC2CC2)C1 644895096 JQHRHBZBCQWLBI-QFIPXVFZSA-N 420.557 3.018 0 40 HGAB Cc1ccc(Oc2ccccc2)c(NC(=O)N2CCC3(CC2)C[C@H](O)CNC3=O)c1 1667750783 NDFAAEYKVHXPGD-KRWDZBQOSA-N 409.486 3.282 0 40 HGAB O=S(=O)(NC[C@@H](O)c1ccc(-c2ccco2)o1)c1ccccc1Br 1775965622 GXLKGWLGOTUATE-GFCCVEGCSA-N 412.261 3.314 0 40 HGAB COc1ccc(C(=O)N2CCC[C@@H](COc3cccc(C)n3)C2)c(OC)c1OC 1775971721 UEHUKAYTMBGWIL-MRXNPFEDSA-N 400.475 3.347 0 40 HGAB CN1CC[C@@]2(C(=O)Nc3cccnc3)CCN(C(=O)/C=C/c3cccs3)CC[C@@H]12 2055795839 GJCYWPSNCBEHCM-FTAHBHFESA-N 410.543 3.108 0 40 HGAB COc1ccc(CN2C(=O)[C@@](O)(CC(=O)c3ccncc3)c3ccccc32)cc1OC 2218472 MJOBMLDVIHWSGN-XMMPIXPASA-N 418.449 3.106 0 40 HGAB COc1cccc(-n2c(CN3C(=O)c4ccccc4C3=O)nc3ccccc3c2=O)c1 2366834 DEUYMSSUXHGFGN-UHFFFAOYSA-N 411.417 3.191 0 40 HGAB Cc1ccc2c(c1)[nH]c1c(N3CCN(Cc4ccc5c(c4)OCO5)CC3)ncnc12 2416430 DJCTYLIRWHIXJR-UHFFFAOYSA-N 401.470 3.470 0 40 HGAB COc1cc(C(=O)OCC(=O)N2CCCC2=O)ccc1OCc1ccc(Cl)cc1 3367418 HKWZIHQYOJYXPD-UHFFFAOYSA-N 417.845 3.233 0 40 HGAB O=C(CSc1nnc2ccccn12)Nc1ccc(I)cc1 3505672 QIRITWOMYXHCCD-UHFFFAOYSA-N 410.240 3.065 0 40 HGAB CCOc1ccc(C(C)=O)cc1COC(=O)c1ccc2c(=O)n3c(nc2c1)CCC3 3532359 YKALLJPKRRXXKE-UHFFFAOYSA-N 406.438 3.301 0 40 HGAB CN(C)CCCN1C(=O)c2[nH]nc(-c3ccc([N+](=O)[O-])cc3)c2[C@H]1c1ccccc1 4576450 CQQGIIZEUJHMSH-OAQYLSRUSA-N 405.458 3.482 0 40 HGAB Cc1cc(F)ccc1NC(=O)c1nnn(Cc2ccc(Br)cc2)c1N 4852363 JYUXUDAWKIMVKF-UHFFFAOYSA-N 404.243 3.371 0 40 HGAB COCCCn1c(SCC(=O)Nc2nc(C)cs2)nnc1-c1ccoc1C 4860697 NFSBUGOURAVWJT-UHFFFAOYSA-N 407.521 3.379 0 40 HGAB Cc1cc(C)c(NC(=O)C[S@@](=O)CC(=O)NCCCc2ccccc2)c(C)c1 4895736 SKHOWWDVGDFHCV-MUUNZHRXSA-N 400.544 3.048 0 40 HGAB NS(=O)(=O)c1ccc(-n2c(-c3ccccc3)nc3nc4ccccc4nc32)cc1 4901800 GELNEBWCSRACJE-UHFFFAOYSA-N 401.451 3.283 0 40 HGAB CCC(C)(C)NC(=O)CN(C(=O)c1csnn1)c1ccc(Br)cc1 4964787 RORAEISUTCDRKT-UHFFFAOYSA-N 411.325 3.252 0 40 HGAB CCc1ccc(CN(C(=O)COc2cccc(C)c2C)[C@@H]2CCS(=O)(=O)C2)cc1 5100036 MKJOWRQRGPFNOR-OAQYLSRUSA-N 415.555 3.461 0 40 HGAB O=C(CCCn1nnc2ccccc2c1=O)Nc1ccc(Br)cc1F 5205401 JZIAPKWWJDQAFX-UHFFFAOYSA-N 405.227 3.112 0 40 HGAB CCc1ccccc1NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(Br)cc1 6451183 YVGCDSBLTWEDOZ-GFCCVEGCSA-N 411.321 3.317 0 40 HGAB Cc1cc(C)c(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)c(C)s2)c(C)c1 6679807 ZUBUATAGZIIPPN-UHFFFAOYSA-N 408.545 3.255 0 40 HGAB CCCc1nnc(SCC(=O)Nc2ccc(I)cc2)o1 7605503 YYXFTACYVQZVPJ-UHFFFAOYSA-N 403.245 3.358 0 40 HGAB Cc1cc(C(=O)COC(=O)CN2CCSC2=O)c(C)n1Cc1ccc(F)cc1 7881039 MPSFCRQNZDIPBT-UHFFFAOYSA-N 404.463 3.187 0 40 HGAB Cc1nc(Nc2cccc(S(=O)(=O)N3CCOCC3)c2)c2c(C)c(C)sc2n1 8231598 XYINFXRMZHQIEY-UHFFFAOYSA-N 418.544 3.381 0 40 HGAB C[C@@H]1C=CC[C@@H]2C(=O)N(c3cccc(C(=O)Nc4ccc(C(=O)O)cc4)c3)C(=O)[C@@H]21 8470379 PCVMGCAVISCKDN-ZNZDAUKMSA-N 404.422 3.339 0 40 HGAB CC(=O)Nc1cccc(NC(=O)CSc2nc(CC(=O)NCC(C)C)cs2)c1 8849954 DULBYIBDTJBMBM-UHFFFAOYSA-N 420.560 3.147 0 40 HGAB COCCCNC(=O)NC(=O)CSc1ncc(-c2ccccc2)n1-c1ccccc1 9126279 VCMFJPBSMZTCKY-UHFFFAOYSA-N 424.526 3.494 0 40 HGAB Cc1cc(=O)n2c(n1)NC(N1CCC(N3CCCCC3)CC1)=N[C@H]2[C@@H]1CC=CCC1 9289510 GSIKTTRSOHBPIU-WIYYLYMNSA-N 410.566 3.138 0 40 HGAB Cn1cc(C(=O)NCCc2c[nH]c3ccccc23)c2nn(-c3ccccc3)c(=O)c-2c1 9661377 XHHOORCFUZIUAV-UHFFFAOYSA-N 411.465 3.130 0 40 HGAB Cc1c(C)n2c3c(=O)n(CCC(C)C)c(=O)n(C)c3nc2n1[C@H](C)c1ccccc1 10104143 JAIYVJHVCCIGGN-QGZVFWFLSA-N 407.518 3.422 0 40 HGAB O=C(NCc1ccccc1)C(=O)NC[C@@H](c1cccc2ccccc12)N1CCCC1 10333862 VXHVEPSMQYJVGE-QHCPKHFHSA-N 401.510 3.409 0 40 HGAB Cc1ccc(C(=O)NCC(=O)Nc2nc3c(s2)CN(Cc2ccccc2)CC3)cc1 11766289 LIGAMXVVVUYINP-UHFFFAOYSA-N 420.538 3.378 0 40 HGAB O=C(NCCc1ccc2c(c1)OCO2)C1CCN(C(=O)/C=C/c2ccccc2)CC1 12987289 PQHQYJREGHVGNF-VQHVLOKHSA-N 406.482 3.026 0 40 HGAB O=C(NCC(=O)N1CCN(Cc2cccc3ccccc23)CC1)c1ccccc1F 12992576 MCEDGXQMDGATQS-UHFFFAOYSA-N 405.473 3.053 0 40 HGAB CC(C)n1ncc2cc(NC(=O)CCS(=O)(=O)c3ccc(Cl)cc3)cnc21 13017817 SMGYYQBVYUIYHY-UHFFFAOYSA-N 406.895 3.468 0 40 HGAB O=c1/c(=C\c2ccc(O)cc2)sc2n1[C@@H](c1ccccc1)C(c1ccccc1)=NN=2 13147135 CTHGCMCEROPAJR-QDUHJBTASA-N 411.486 3.071 0 40 HGAB O=S1(=O)c2ccccc2[C@@H](O)[C@H](Cc2c[nH]c3ccccc23)N1Cc1cccnc1 13691150 NAVBAMNTAPFPOO-JTHBVZDNSA-N 419.506 3.412 0 40 HGAB CC[C@@H](C(=O)Nc1ccc(NC(C)=O)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O 13712531 DIDPXAUEICZROR-SFHVURJKSA-N 423.922 3.482 0 40 HGAB O=S1(=O)c2ccccc2[C@H](O)[C@@H](Cc2ccncc2)N1CCCc1ccccc1 13725461 JVRQXALBGHTMJD-GGAORHGYSA-N 408.523 3.363 0 40 HGAB Cc1ccc(-c2ccc(=O)n(CCCNC(=O)COc3ccc(Cl)cc3)n2)cc1 13796619 DBXWHXQRNRMFID-UHFFFAOYSA-N 411.889 3.457 0 40 HGAB Cc1ccc(-n2ncc3c(C)nn(CC(=O)N4CCc5ccccc54)c(=O)c32)c(C)c1 13970978 PZGCMIRMJIEEEX-UHFFFAOYSA-N 413.481 3.097 0 40 HGAB COC(=O)CSc1nc2c(c(-c3cc(OC)c(OC)c(OC)c3)n1)CCCC2 16195290 DOMFKCWTGAQEPK-UHFFFAOYSA-N 404.488 3.313 0 40 HGAB CC(C)CNS(=O)(=O)c1ccc2nc(NC(=O)CN3CCCCCC3)sc2c1 16740528 SUHOJFSUEYYPIW-UHFFFAOYSA-N 424.592 3.045 0 40 HGAB Cc1ccc(N2CCN(c3ccc(S(=O)(=O)c4ccccc4)nn3)CC2)c(C)c1 16847062 MVLFZZGLRQDSMO-UHFFFAOYSA-N 408.527 3.253 0 40 HGAB Cc1ccc([C@@H](NC(=O)[C@H](C)Oc2ccc(-n3cnnn3)cc2)c2cccnc2)cc1 19136585 MZHDMAUHNGSPDR-HTAPYJJXSA-N 414.469 3.039 0 40 HGAB CC(C)N1CCc2nc3cc([C@@H]4CCCN4C(=O)Cc4ccccc4)nn3c(O)c2C1 19448113 HMQGHZORNSSWLJ-NRFANRHFSA-N 419.529 3.108 0 40 HGAB CCc1nc2cc(NC(=O)CN3C(=O)N[C@]4(CCCC[C@@H]4C)C3=O)ccc2n1CC 19523208 UFBUIQHBZUKTMV-FPTDNZKUSA-N 411.506 3.058 0 40 HGAB CC1CCC2(CC1)NC(=O)N(CC(=O)Nc1ccc3[nH]c(C(C)(C)C)nc3c1)C2=O 19664942 DLBPAUVUHOKOHB-UHFFFAOYSA-N 411.506 3.300 0 40 HGAB Cc1nc([C@@H]2CCN(C(=O)c3cc(C4CC4)on3)C2)nc2c1CCC(=O)N2CC(C)C 19738795 WTOBJSICRDNKIC-MRXNPFEDSA-N 423.517 3.215 0 40 HGAB COc1ccc(OC)c(-n2ccc3c(nnc4c(-c5ccccc5)c(C)nn43)c2=O)c1 19818930 LIRULDQTKPKAMU-UHFFFAOYSA-N 413.437 3.421 0 40 HGAB COc1ccccc1CN(C)C(=O)[C@@H](C)N(c1cc(C)ccc1C)S(C)(=O)=O 20105123 KSXFHKMFZRHREZ-QGZVFWFLSA-N 404.532 3.125 0 40 HGAB CCN(c1cc(OC)c(OC)cc1C(=O)Nc1ccccc1SC)S(C)(=O)=O 22252235 CUFRNQFZQHOGKM-UHFFFAOYSA-N 424.544 3.464 0 40 HGAB c1ccc(CN2CCO[C@@H](CNc3ncnc4c3cnn4-c3ccccc3)C2)cc1 24528333 WJHFYIVROHMRLP-FQEVSTJZSA-N 400.486 3.128 0 40 HGAB O=C(COC(=O)/C=C/c1cccc(Cl)c1Cl)Nc1ccc2[nH]c(=O)[nH]c2c1 24746528 XHOQARLPBYPBJL-QPJJXVBHSA-N 406.225 3.358 0 40 HGAB Cc1nc(COc2ccc(/C=C/C(=O)N3CCN(C(=O)C4CC4)CC3)cc2)cs1 25589691 SBWHSISJVSGAOA-RUDMXATFSA-N 411.527 3.125 0 40 HGAB Nn1c(NCCc2c[nH]c3ccc(Cl)cc23)nnc(-c2ccc(Cl)cc2)c1=O 27526454 RACSFJRTSWLBBX-UHFFFAOYSA-N 415.284 3.462 0 40 HGAB COc1cc(OC)cc([C@H](NC(=O)NCCc2cccs2)c2nccn2C)c1 29324554 TXNSYPSUIFDMQE-SFHVURJKSA-N 400.504 3.130 0 40 HGAB Cc1ccc([C@@H](C)NC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)c(C)c1 30756045 UQXLNOQMPLTUFI-AUUYWEPGSA-N 422.934 3.361 0 40 HGAB CC[C@H](NC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C)c1ccccc1 30859602 SHZUDRZBHPLJNC-IBGZPJMESA-N 403.548 3.184 0 40 HGAB COc1ccc(CNC(=O)C2CCN(Cc3nc(-c4ccccc4)no3)CC2)cc1 30955208 HBCNZYSGMNTHJA-UHFFFAOYSA-N 406.486 3.274 0 40 HGAB COc1ccc(NC(=O)[C@H]2CC(=O)Nc3c(-c4ccccc4OC)cnn32)c(OC)c1 32096779 RQSFQWDGEFLJKK-QGZVFWFLSA-N 422.441 3.098 0 40 HGAB CN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)NCc1ccc(OC(F)(F)F)cc1 32795103 NKVGBGMCCYMZKV-UHFFFAOYSA-N 412.393 3.225 0 40 HGAB CCOc1ccc(CCC2CCN(C(=O)c3ccc4[nH]c(=O)c(=O)[nH]c4c3)CC2)cc1 32865079 YWHPYRBQSCCQEV-UHFFFAOYSA-N 421.497 3.100 0 40 HGAB COc1ccc(S(=O)(=O)N(C2=NCCCS2)c2ccccc2OC)cc1OC 35314224 UZPVQOXRGRGCNU-UHFFFAOYSA-N 422.528 3.401 0 40 HGAB COc1ccc([C@H](CC(=O)NC2CCN(Cc3ccccc3C)CC2)NC(C)=O)cc1 36392204 URNRWIOFXOELHI-DEOSSOPVSA-N 423.557 3.352 0 40 HGAB O=C1C[C@H](c2cc(Br)ccc2OCc2cccc(F)c2)N2N=CNC2=N1 38278531 LLWQMKAJYIFOEE-OAHLLOKOSA-N 417.238 3.343 0 40 HGAB C[C@H]1C[C@H]1c1ccc(CN(C)S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)o1 40091319 NBYVAOPCLJIXFV-CMPLNLGQSA-N 410.879 3.208 0 40 HGAB CC(C)c1c(C(=O)NC2CCN(c3ncccn3)CC2)cnn1Cc1ccccc1 40108852 CVHFUJDMOMWGGN-UHFFFAOYSA-N 404.518 3.244 0 40 HGAB CC(C)(C)OC(=O)Nc1cccc(C(=O)Nc2cccc([C@@]3(C)NC(=O)NC3=O)c2)c1 40111126 KQQINETXMCKTCJ-JOCHJYFZSA-N 424.457 3.341 0 40 HGAB COc1cccc([C@H](CNC(=O)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)N(C)C)c1 41950310 LFQWHDCOMMFZTH-HKUYNNGSSA-N 405.539 3.061 0 40 HGAB Cc1ccc(Cl)cc1NC(=O)c1ccc(CS(=O)(=O)N2CCOCC2)cc1 44902456 LCGGYBXCCPLRME-UHFFFAOYSA-N 408.907 3.063 0 40 HGAB Cc1ccc([C@H](C)NC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(C)ccc3O2)c(C)c1 44935078 JRCVXYOWOQXHPI-JXFKEZNVSA-N 402.516 3.016 0 40 HGAB O=C(CN1CCN(c2cccc(Cl)c2)CC1)NC[C@@H]1CCN(c2ccccc2)C1 51185270 PCCLDLWVDVDKNS-IBGZPJMESA-N 412.965 3.105 0 40 HGAB COC(=O)C1=C(CN2CC=C(c3ccccc3)CC2)NC(=O)N[C@H]1c1ccccc1 57414216 WHYIASOAHLZIEP-QFIPXVFZSA-N 403.482 3.257 0 40 HGAB CN(C)C(=O)N1CCC[C@@H](C(=O)Nc2nnc(COc3ccc(Cl)cc3)s2)C1 59745297 WLKDBNRZDZPNAS-GFCCVEGCSA-N 423.926 3.103 0 40 HGAB CC(=O)c1cccc(NC(=O)Cn2nnc(C(=O)Nc3c(C)cccc3C)c2C)c1 67323012 VGWUDSBKORKJKY-UHFFFAOYSA-N 405.458 3.297 0 40 HGAB CC(C)OCCOC[C@H](O)CN(C)C(=O)CCc1ncc(-c2ccccc2Cl)o1 72310424 CKFJTSXWHITNNJ-MRXNPFEDSA-N 424.925 3.189 0 40 HGAB O=C(c1cn[nH]c1-c1cccc(Br)c1)N1CCN(c2ccccn2)CC1 72328698 TVAAQYUGFUHSNX-UHFFFAOYSA-N 412.291 3.197 0 40 HGAB CN(C)c1ncc(C(=O)N2CCC([C@H]3CC(=O)c4cc(Cl)ccc4O3)CC2)cn1 72336698 CLSITFUFUJHCKH-LJQANCHMSA-N 414.893 3.082 0 40 HGAB O=C(NC1CCCC1)c1cc([C@@H]2CCCCN2S(=O)(=O)c2ccc(F)cc2)n[nH]1 72380661 PAHBZNFMLSCMNG-IBGZPJMESA-N 420.510 3.137 0 40 HGAB Cc1cc(S(=O)(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)ccc1Cl 72414561 SKVGTBMNBWPWRI-UHFFFAOYSA-N 416.933 3.462 0 40 HGAB CCC(CC)(CNC(=O)[C@@H]1CCCN1C(=O)c1ccco1)NC(=O)OC(C)(C)C 78950793 AMAPTEMVDHHKNM-HNNXBMFYSA-N 407.511 3.084 0 40 HGAB CC(C)(C)OC(=O)Nc1cccc(OCC(=O)NCc2ccc3c(c2)OCO3)c1 78991195 JXBSKSRENNJEGT-UHFFFAOYSA-N 400.431 3.458 0 40 HGAB O=C(Nc1cccc(S(=O)(=O)Nc2nccs2)c1)c1cc(-c2ccco2)on1 79016030 XVADHPUCCKILAE-UHFFFAOYSA-N 416.440 3.444 0 40 HGAB COc1ccc([C@@H]2[C@H](C(=O)NCCc3ccccn3)c3ccccc3C(=O)N2C)cc1 79479267 UEMFGIURFUIYFD-DHIUTWEWSA-N 415.493 3.360 0 40 HGAB Cc1ccc(CN(C)C(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 89632249 ZIGKPHWMXRSUIJ-UHFFFAOYSA-N 404.507 3.193 0 40 HGAB CC(C)CCO[C@@H]1CCCC[C@@H]1Nc1ccc(S(C)(=O)=O)cc1S(C)(=O)=O 89821168 NUDFZANDQRZLIO-FUHWJXTLSA-N 417.593 3.279 0 40 HGAB O=C(NCc1nc(-c2cccs2)no1)c1ccccc1I 95482243 ILLIFGYEQSQBBO-UHFFFAOYSA-N 411.224 3.333 0 40 HGAB CCN1CCn2c(-c3cnn(C)c3)cnc2C12CCN(Cc1ccc(C)s1)CC2 96037018 KUVILDOUGOWBMR-UHFFFAOYSA-N 410.591 3.480 0 40 HGAB COCCn1ccc2c(NC(=O)Cn3c(C)nc4ccc(F)cc4c3=O)cccc21 96117847 RWWLDWFQRZLKKZ-UHFFFAOYSA-N 408.433 3.084 0 40 HGAB CCCCS(=O)(=O)N1Cc2ccccc2C2(CCN(C(=O)c3ccco3)CC2)C1 96242541 UIRXPYJZJVELPB-UHFFFAOYSA-N 416.543 3.399 0 40 HGAB COC(=O)c1ccc(NC(=O)[C@H]2CC[C@H](Cn3nnc4ccccc4c3=O)CC2)cc1 101032475 MTAIXENQSLOYBW-IYBDPMFKSA-N 420.469 3.023 0 40 HGAB CCOc1ccccc1CNC(=O)CCCN(c1cccc(C)c1)S(C)(=O)=O 113956352 IDWMOOBDTJLNGL-UHFFFAOYSA-N 404.532 3.256 0 40 HGAB CCOC[C@@]1(CN)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(Br)cc1 218217647 OTWBSRSMBMOJHH-GBESFXJTSA-N 424.360 3.370 0 40 HGAB Cc1cc(S(=O)(=O)NC2CC2)ccc1OCC(=O)Nc1cccc(Cl)c1C 223053609 LOPYKNWNHBZIHJ-UHFFFAOYSA-N 408.907 3.415 0 40 HGAB CCOc1ccc(NC(=O)[C@@H](CC)Oc2ccc(N(C)S(C)(=O)=O)cc2)cc1 223139933 QUUJPECJYKCKJI-LJQANCHMSA-N 406.504 3.277 0 40 HGAB CCOC(=O)N1CCN(C(=O)c2ccc(OC)c(COc3cccc(C)c3)c2)CC1 224115155 XLQGLLRLRPOPTA-UHFFFAOYSA-N 412.486 3.497 0 40 HGAB COc1ccc(OCC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NCC(C)C)cc1 224279559 DMPSDYMDHAOXJI-QGZVFWFLSA-N 416.493 3.403 0 40 HGAB CCN(Cc1ccc(C(=O)N2CCCC2)cc1)S(=O)(=O)c1ccc(OC)cc1 224463959 RSLREVBTIDKTFM-UHFFFAOYSA-N 402.516 3.142 0 40 HGAB CCc1ccccc1N(CCCC(=O)NCCOc1ccc(F)cc1)S(C)(=O)=O 224661759 WNSXHEQQRAOMHZ-UHFFFAOYSA-N 422.522 3.130 0 40 HGAB CCOC(=O)c1ccccc1NS(=O)(=O)c1ccc(SC)c(NC(C)=O)c1 225277443 ZFNCYJZFXATOGX-UHFFFAOYSA-N 408.501 3.344 0 40 HGAB CCOC[C@]1(CN)[C@@H](c2ccc(OC)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 242750276 ZJNJMNNUEPNQEG-XUVXKRRUSA-N 409.935 3.270 0 40 HGAB CO[C@H]1CCN(CC(=O)Nc2nc(-c3ccccc3)c(C)s2)C[C@@]12CCCO2 257230192 GBGANOVHMJIOLU-UWJYYQICSA-N 401.532 3.327 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCC(c3cncc(Nc4ncccn4)n3)CC2)cc1C 257275896 NRKYJXMEHXSMMU-UHFFFAOYSA-N 424.530 3.195 0 40 HGAB Cc1ccc(N([C@H](C)C(=O)Nc2nnc(-c3ccccc3)s2)S(C)(=O)=O)cc1 260764755 MCMNSECDKWQGPU-CQSZACIVSA-N 416.528 3.307 0 40 HGAB CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)OC)cc2)cc1NC(=O)CC 408698462 PTAPQMFEQABCSU-UHFFFAOYSA-N 406.460 3.021 0 40 HGAB Cc1cccc(CNC(=O)c2ccccc2NC(=O)C(=O)NCCc2ccccc2)c1 408709730 GWISMZOVRFBUST-UHFFFAOYSA-N 415.493 3.222 0 40 HGAB COc1ccc(-c2nnc(CN(C)C(=O)c3c(OC)cccc3OC)o2)cc1OC 408714619 SUSAWGPUUFZFSZ-UHFFFAOYSA-N 413.430 3.043 0 40 HGAB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cccn2-c2ccc(C(=O)O)cc2)C1=O 409009194 BXQFGQHTWWCZCL-PILJQMSFSA-N 414.439 3.163 0 40 HGAB Cc1ccc(C(=O)N[C@@H](C)c2nnc(SCC(=O)Nc3ncccc3C)n2C)cc1 409144785 PBWJYIXCMUGFCO-HNNXBMFYSA-N 424.530 3.049 0 40 HGAB O=C(CN1C(=O)S/C(=C\c2cc3c(cc2Cl)OCO3)C1=O)N1CCCCC1 409378185 NJTVKZDFYOJMTD-CHHVJCJISA-N 408.863 3.118 0 40 HGAB CCOC1(CNC(=O)[C@@H]2CCC[C@H]2C(=O)NCC2(OCC)CCCC2)CCCC1 506412625 YMRGOQKAPZHJPD-RTBURBONSA-N 408.583 3.334 0 40 HGAB COc1cccc(NC(=O)N2CCC(Oc3ncc(Br)cn3)CC2)c1 1202276694 LYCAKEDDBFIVET-UHFFFAOYSA-N 407.268 3.323 0 40 HGAB CC(C)c1ccc(C[C@]2(C)Cc3cc(CC(=O)NCCOCCO)ccc3O2)cc1 2037875309 OIPJWGGGINHUKA-RUZDIDTESA-N 411.542 3.414 0 40 HGAB CC(C)c1ncc([C@@H]2[C@H](O)[C@@H](C(=O)N3CCCC3)C[C@H]2NC2CCC(F)(F)CC2)[nH]1 2332241801 KTGPPUYPTIWVIG-QFHJOOASSA-N 424.536 3.156 0 40 HGAB COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Cl)cc3)c(=O)n2[C@@H]1c1ccccc1 631717 QGTWFGLBLAQMFT-LYPXWFNGSA-N 424.909 3.062 0 40 HGAB O=C(Cn1nnc2sc3c(c2c1=O)CCCC3)Nc1ccccc1C(F)(F)F 958510 BAQXGHNBNZFBRM-UHFFFAOYSA-N 408.405 3.389 0 40 HGAB O=C(Nc1ccc(I)cc1)[C@H]1CC(=O)N(c2ccccc2)C1 1107895 DZTZCBCOILIFEN-LBPRGKRZSA-N 406.223 3.283 0 40 HGAB O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)C(Cl)(Cl)Cl 1218761 PVQHNWCILHBQND-UHFFFAOYSA-N 400.696 3.253 0 40 HGAB Cc1ccccc1Cn1c(N[C@@H]2C[C@@H](C)CC(C)(C)C2)nc2c1c(=O)[nH]c(=O)n2C 1271448 KHANHDCQXWGYIQ-RHSMWYFYSA-N 409.534 3.407 0 40 HGAB CC(=O)Nc1ccc(NC(=O)[C@H]2CCCN2C(=O)Nc2cccc(C(C)=O)c2)cc1 1343696 JDRYTWJTICSUTL-HXUWFJFHSA-N 408.458 3.483 0 40 HGAB O=C1c2oc3ccccc3c(=O)c2[C@H](c2cccc(Br)c2)N1CCCO 2395285 DSKLLKVKCKTJFV-KRWDZBQOSA-N 414.255 3.483 0 40 HGAB O=C(CSc1nnc(-c2ccc3c(c2)OCO3)o1)NCCc1ccc(F)cc1 2627868 IVRDQJKFJLACGG-UHFFFAOYSA-N 401.419 3.055 0 40 HGAB CC(C)(C)c1ccc(COC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 2656502 LVFBRFJPNJITRQ-UHFFFAOYSA-N 417.527 3.362 0 40 HGAB CCOc1cccc2sc(NC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)nc12 2716621 YSBLBAHNCKNPPI-UHFFFAOYSA-N 405.501 3.198 0 40 HGAB O=S(=O)(NNc1c(F)c(F)c(F)c(F)c1F)c1ccc(Br)cc1 3208846 YDQCBDGEAPGIAY-UHFFFAOYSA-N 417.153 3.450 0 40 HGAB Cc1ccc(-c2nnc(SCC(=O)Nc3ccccc3OC(F)F)n2N)cc1 3271776 MHDAVCWQPXTQCT-UHFFFAOYSA-N 405.430 3.300 0 40 HGAB CCc1ccccc1NC(=O)CN(C)C(=O)COC(=O)c1cc(C)nc2ccccc12 3366931 AOJNSCDSBQESIF-UHFFFAOYSA-N 419.481 3.360 0 40 HGAB CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)C(=O)NCc1ccccc1 3388559 HREJPAPHHUMWQA-GOSISDBHSA-N 406.573 3.020 0 40 HGAB COCCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc(Cl)cn1 3404347 FKGZYHWVQVYFGB-UHFFFAOYSA-N 417.922 3.295 0 40 HGAB C[C@H]1CCc2sc(C(=O)N3CCN(S(=O)(=O)c4cccs4)CC3)cc2C1 3431723 NSCNIYFZCXDUMZ-ZDUSSCGKSA-N 410.586 3.081 0 40 HGAB COc1ccccc1-n1c(=O)[nH]c2c(C(N)=O)nc(-c3ccc(C(C)C)cc3)nc21 4338359 ISSILMHOWPRROK-UHFFFAOYSA-N 403.442 3.007 0 40 HGAB CCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)COc2ccccc2)CC1 4385376 ZBAUPCSYCKCMEL-UHFFFAOYSA-N 401.894 3.416 0 40 HGAB Cc1ccc(-c2nnc(NC(=O)CCS(=O)(=O)c3ccc(F)cc3)o2)c(C)c1 4496284 WXGOYQMIZIWYQE-UHFFFAOYSA-N 403.435 3.295 0 40 HGAB COc1cccc(/C=C2\NC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)c1OC(C)C 4698970 SBGIQDZKGHKYGA-PDGQHHTCSA-N 423.469 3.322 0 40 HGAB CC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)c2nc(-c3cccc(C)c3)no2)cc1 4998306 QOHINLXLOGUXIE-CYBMUJFWSA-N 400.460 3.043 0 40 HGAB O=C(NCCc1csc2nc(-c3cccc(F)c3)nn12)c1ccc2c(c1)OCO2 5166988 HQGMRMSSNPMOIG-UHFFFAOYSA-N 410.430 3.298 0 40 HGAB C[C@H](OC(=O)c1ccccc1NCCO)C(=O)Nc1ccc(N2CCCCC2)cc1 5278732 NNVJFVVNFPWXOX-KRWDZBQOSA-N 411.502 3.265 0 40 HGAB CCOc1ccc(CCNC(=O)COC(=O)COc2ccccc2C)cc1OCC 5668991 RJGYKLPFYYLUEN-UHFFFAOYSA-N 415.486 3.073 0 40 HGAB CCOc1ccc(Br)cc1S(=O)(=O)Nc1cccc(C(=O)O)c1 7053721 ZZBTYTFOWUXGBL-UHFFFAOYSA-N 400.250 3.347 0 40 HGAB COC(=O)c1ccc(NC(=O)CCc2nc(-c3ccc(OC)c(OC)c3)no2)cc1 7946064 GYJINGHYNDDGCF-UHFFFAOYSA-N 411.414 3.112 0 40 HGAB COc1ccc(N2C(=O)CC[C@H](C(=O)NC3=NCCS3)[C@@H]2c2ccccc2)cc1 7986886 JTVGMGJYYXJIIX-ICSRJNTNSA-N 409.511 3.399 0 40 HGAB COc1ccc(C(=O)NCCc2ccco2)cc1S(=O)(=O)Nc1ccc(C)cc1 8033518 OWLGHYKGBBEESI-UHFFFAOYSA-N 414.483 3.370 0 40 HGAB O=C(Nc1ccc(=O)n2c1[C@@H]1C[C@@H](CN(C(=O)NC3CCCCC3)C1)C2)c1ccco1 8296467 AKPABOISBVHFKF-JKSUJKDBSA-N 424.501 3.155 0 40 HGAB biogenic,in-vitro COc1ccc(C(=O)N[C@@H](C)CCc2ccco2)cc1S(=O)(=O)NC1CCCC1 8313410 HQAPJVXDBDULPJ-HNNXBMFYSA-N 420.531 3.260 0 40 HGAB CCc1cccc(CC)c1N1C[C@@H](C(=O)OCC(=O)Nc2cccc(OC)c2)CC1=O 8433807 YRCDHLTYALKKRR-SFHVURJKSA-N 424.497 3.355 0 40 HGAB COCCNC(=O)c1nc(-c2ccc(Br)cc2)n(-c2ccccc2)n1 8476514 MEAHTOWPXFQFFT-UHFFFAOYSA-N 401.264 3.073 0 40 HGAB Cc1ccc(C(=O)O)cc1-c1ccc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)o1 8477273 CLAYUNKMXQSXEU-GZTJUZNOSA-N 408.410 3.358 0 40 HGAB COc1ccc(CCNC(=O)CCCN(c2cccc(Cl)c2)S(C)(=O)=O)cc1 8493320 CUINPKUTUNDZDS-UHFFFAOYSA-N 424.950 3.254 0 40 HGAB C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)CCn2ccc3ccccc32)C1=O 8707991 IBEUNHIOXVFAFX-HSZRJFAPSA-N 404.470 3.006 0 40 HGAB COC(=O)c1cc(OC)c(OC)cc1NCC(=O)Nc1ccc(Br)cc1 8745196 YULAFYGECDESEW-UHFFFAOYSA-N 423.263 3.304 0 40 HGAB O=C1S/C(=C\c2cccc(F)c2)C(=O)N1CCC(=O)N1CCCC[C@H]1CCO 9252973 PKDPXOQBAXLAQU-MUBYSKIDSA-N 406.479 3.016 0 40 HGAB O=C(Nc1ccc(F)c(Cl)c1)C(=O)Nc1cc2c3c(c1)CCC(=O)N3CCC2 9738370 MJFPRGRSZUJLGU-UHFFFAOYSA-N 401.825 3.282 0 40 HGAB COc1ccc(C(=O)CN2C(=O)N[C@@](C)(c3ccc(OC(F)F)cc3)C2=O)cc1F 9871304 PSKXDXVPCQPNCZ-FQEVSTJZSA-N 422.359 3.086 0 40 HGAB O=c1cc(Cn2ncc(Cl)c(Cl)c2=O)c2ccc(Br)cc2o1 10284722 KOXCOGMITNPDBW-UHFFFAOYSA-N 402.031 3.467 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc(OC)cc2)cc1 11609195 ODSCNJIHPZBJBR-HNNXBMFYSA-N 406.504 3.132 0 40 HGAB CCN1C[C@@H](C(=O)N2CCC(c3nc4ccccn4c3NC(C)(C)C)CC2)CC1=O 12087466 UXLWVLWVAVYGMP-KRWDZBQOSA-N 411.550 3.119 0 40 HGAB CC(C)COC(=O)Nc1nc(CC(=O)N2CCN(c3ccccc3)CC2)cs1 12440526 UHKTZEXVCHNIAT-UHFFFAOYSA-N 402.520 3.239 0 40 HGAB CCOC(=O)c1c(C)[nH]c(-c2nc(NCCCN3CCOCC3)sc2C)c1C 12771536 NXAWRAFBGFBVOC-UHFFFAOYSA-N 406.552 3.374 0 40 HGAB CCNS(=O)(=O)c1ccc(NS(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)cc1 12773087 SXJOWZFBXGZDFV-UHFFFAOYSA-N 410.561 3.328 0 40 HGAB COc1cccc(NC(=O)C2CCN(S(=O)(=O)CCCc3ccccc3)CC2)c1 12854621 QSACACJYBHSJKK-UHFFFAOYSA-N 416.543 3.308 0 40 HGAB Cc1nc(-c2ccc(CCNS(=O)(=O)c3ccsc3C(=O)O)s2)cs1 12923708 IWMATSVNUPJGFY-UHFFFAOYSA-N 414.555 3.461 0 40 HGAB CCOc1ccc([C@@H]2CCCN2C(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)cc1 12997148 LMNABKHLXJZBLJ-FQEVSTJZSA-N 414.527 3.385 0 40 HGAB Cc1ccc(NC(=O)CN(C)C(=O)[C@H](C)OC(=O)c2cc(C)nc3ccccc23)cc1 13069394 BWGNGUWKQSFVGT-KRWDZBQOSA-N 419.481 3.494 0 40 HGAB CCCCC(=O)N1CCC[C@H](c2nc(O)c3nnn(Cc4ccc(F)cc4)c3n2)C1 13083509 QVEPCQVEVCRMQF-HNNXBMFYSA-N 412.469 3.011 0 40 HGAB O=C(NCc1cc(-c2ccccc2)on1)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O 13236995 MWFYZXDQGIRVPC-IBGZPJMESA-N 404.426 3.318 0 40 HGAB COc1ccc(F)cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2cc(C)ccc2C)C1 13580609 RNZOPPLYDSRDEE-MRXNPFEDSA-N 420.506 3.491 0 40 HGAB COc1ccccc1C(=O)NC1=C(C)N=C2NC=NN2[C@@H]1c1c[nH]c2ccccc12 13655885 ZCZMVAKXIRZTJJ-HXUWFJFHSA-N 400.442 3.097 0 40 HGAB COc1ccc(CCNC(=O)Cn2cc(-c3ccc(C)cc3)[n+]3c2CCC3)cc1OC 13759249 NHRAENHKSWAHKR-UHFFFAOYSA-O 420.533 3.073 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)Nc1cccc(C)n1 14683653 BVARJIGGBCTFCZ-UHFFFAOYSA-N 403.504 3.216 0 40 HGAB CCCCc1ccc(C(=O)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)cc1 16180013 KGBHHRMBLAEJER-UHFFFAOYSA-N 410.543 3.057 0 40 HGAB CCOC(=O)N1CCN([C@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 16478362 NRIUTMVGOFBZMS-LLVKDONJSA-N 407.820 3.460 0 40 HGAB O=S(=O)(NCC1(c2ccccc2)CCOCC1)c1ccc(Br)cc1 16971859 ZYIANNLVIIEDDS-UHFFFAOYSA-N 410.333 3.476 0 40 HGAB CCOc1ccc(CN(C)C(=O)CNC(=O)c2cccc(Br)c2)cc1 18074187 HXKGMCCNZPKKOK-UHFFFAOYSA-N 405.292 3.236 0 40 HGAB O=C(COC(=O)c1ccc(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1)c1ccc(F)cc1 18148954 BXXDWNDAWGFSBM-KDURUIRLSA-N 407.397 3.321 0 40 HGAB O=C(OCC(=O)N1CCN(c2ccccc2F)CC1)c1ccccc1Br 18170538 WUZLPRLYBGJKNV-UHFFFAOYSA-N 421.266 3.094 0 40 HGAB CCCn1nc(C)c(CN2CCC[C@H](c3cc(=O)[nH]c(N4CCCCC4)n3)C2)c1C 19525844 CEADHEHUARNUGH-IBGZPJMESA-N 412.582 3.363 0 40 HGAB COc1ccc(-c2ccnc3cc(C(=O)N[C@@H](C)Cc4c(C)nn(C)c4C)nn23)cc1 19716655 XGJRNLCTMHTGBF-AWEZNQCLSA-N 418.501 3.116 0 40 HGAB COc1ccc(CCC(=O)N2CCCC[C@H]2c2ncc(C(=O)N(C)C)c(C)n2)cc1 19754239 DWQJANHEINPSGO-FQEVSTJZSA-N 410.518 3.182 0 40 HGAB CCOC(=O)[C@](NC(=O)c1ccccc1Cl)(Nc1ccccn1)C(F)(F)F 19938833 XIDCOIQJGXVSGM-MRXNPFEDSA-N 401.772 3.399 0 40 HGAB C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCN(C(=O)c5ccco5)CC4)[C@H]3C=C12 20112920 MQSZZIBOTGMDJA-SGCRDVRDSA-N 412.530 3.352 0 40 HGAB biogenic O=C(CCC(=O)N1CCN(C2CCCC2)CC1)Nc1nnc(C2CCCCC2)s1 20392842 SOOPAUMCGZKYOS-UHFFFAOYSA-N 419.595 3.391 0 40 HGAB COc1ccccc1CN(C)C(=O)CN(c1ccc(C(C)C)cc1)S(C)(=O)=O 20460031 LAJZJZCXDOKLGG-UHFFFAOYSA-N 404.532 3.243 0 40 HGAB COc1ccc2c(C)c(CC(=O)Nc3ccc(CN4CCOCC4)cc3)c(=O)oc2c1 20624194 JRGSYWVPRHKBFU-UHFFFAOYSA-N 422.481 3.123 0 40 HGAB Cc1cccc(OCc2nnc(SCC(=O)Nc3ccc(CC(=O)O)cc3)o2)c1 20760073 PRAQNTRJKCKPQR-UHFFFAOYSA-N 413.455 3.315 0 40 HGAB COC(=O)CSc1nc2sc3c(c2c(=O)n1C1CCCCC1)CCN(C)C3 20827081 CFDVFPSGKPFPOY-UHFFFAOYSA-N 407.561 3.216 0 40 HGAB Cc1cc2nc(CSc3nnc(NC(=O)c4cccs4)s3)cc(=O)n2o1 20984482 CKBMZOABTTUZFX-UHFFFAOYSA-N 405.486 3.054 0 40 HGAB CCOC(=O)c1nnc2c(-c3ccc(Br)cc3)c(COC)nn2c1C 21006134 YAIGTBYKYFFXDM-UHFFFAOYSA-N 405.252 3.185 0 40 HGAB CCOc1ccc(CCCNC(=O)CN(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1 22329229 BZOPNYSUXXETRC-UHFFFAOYSA-N 418.559 3.217 0 40 HGAB CCOC(=O)C1CCN([C@H](c2ccc(C)cc2)c2sc3ncnn3c2O)CC1 22609239 NBSNAAIPIWRFCU-MRXNPFEDSA-N 400.504 3.169 0 40 HGAB Cc1noc(CSc2ccccc2C(=O)OCc2cc(=O)n3cccc(C)c3n2)n1 22765423 SEQZNGAMCRBJQJ-UHFFFAOYSA-N 422.466 3.344 0 40 HGAB CC(=O)c1cccc(S(=O)(=O)Nc2c(C(C)C)n(C)n(-c3ccccc3)c2=O)c1 23053304 CXEZHUZZPQWFGM-UHFFFAOYSA-N 413.499 3.303 0 40 HGAB CS(=O)(=O)N(CC(=O)NCCc1cccc(Cl)c1)c1cccc(Cl)c1 23296747 RDZVYYFFFLRMPF-UHFFFAOYSA-N 401.315 3.118 0 40 HGAB COc1ccc(Cl)cc1C(=O)N1CCN(Cc2nc(-c3cccs3)no2)CC1 25060019 MBEZQAGCNWJONH-UHFFFAOYSA-N 418.906 3.418 0 40 HGAB CC(C)c1cc(C(=O)OCC(=O)Nc2ccc(C(N)=O)cc2)c2cnn(C(C)C)c2n1 25694395 HMTYGAKZVGBIRT-UHFFFAOYSA-N 423.473 3.030 0 40 HGAB CC(C)[C@H](NC(=O)c1cccs1)C(=O)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 27031585 MFMXUTPAVFYSCV-APWZRJJASA-N 413.543 3.380 0 40 HGAB Cc1c([C@@H](C)NC(=O)c2ccc(NS(C)(=O)=O)cc2)cnn1-c1ccc(F)cc1 29282217 VUMDUBDKNBBBBQ-CYBMUJFWSA-N 416.478 3.182 0 40 HGAB COc1ccc(-c2n[nH]c(=S)n2CC(=O)N2CCn3c2nc2ccccc23)cc1 29376800 NGANKOFSLJWQOB-UHFFFAOYSA-N 406.471 3.013 0 40 HGAB CCOC(=O)c1sc2cccc(F)c2c1CN1C(=O)C(=O)N(C2CCCC2)C1=O 31645688 OHIKNOPHPXAYMM-UHFFFAOYSA-N 418.446 3.451 0 40 HGAB Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N(C)Cc3ccc(Cl)s3)C2=O)cc1 32835396 LBKHTMJPAZUXAI-IBGZPJMESA-N 405.907 3.136 0 40 HGAB COc1ccccc1N1C[C@@H](c2nc3ccccc3n2CC(=O)NC(C)C)CC1=O 33004225 XFNLECPPNRZIAL-INIZCTEOSA-N 406.486 3.090 0 40 HGAB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NCC(C)C)c1ccc(F)cc1 33634464 KMPQWVHWHXLVND-UHFFFAOYSA-N 408.495 3.110 0 40 HGAB CCOC(=O)CN1CCc2cc(OC)c(OC)cc2[C@H]1c1cc(Cl)ccc1N 34835606 NWPUCMXGRVFJSU-NRFANRHFSA-N 404.894 3.450 0 40 HGAB C[C@@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(C[C@H](O)COCc1ccccc1Cl)C2=O 37197422 QYDFZAAUKOPNDZ-IVZHQMGZSA-N 408.926 3.354 0 40 HGAB C[C@H](SCc1ccccc1)C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1O 40144806 WGJCNGKTRLJNMZ-HNNXBMFYSA-N 420.556 3.437 0 40 HGAB Cc1sc2nc(-c3cccs3)nc(N3CCC(C(=O)NCCO)CC3)c2c1C 48325033 ZWDYVQXMSZJEBU-UHFFFAOYSA-N 416.572 3.362 0 40 HGAB CCc1nc2ccccc2n1CC(=O)N1CCC(C(=O)NCc2ccccc2)CC1 49590066 OWXHJWGWEXAYMJ-UHFFFAOYSA-N 404.514 3.154 0 40 HGAB CN1CCC(N(C)C[C@@H](NC(=O)N(C)Cc2cccc(O)c2)c2ccccc2)CC1 50135140 KYQZYZJAIAKRQN-HSZRJFAPSA-N 410.562 3.301 0 40 HGAB Cc1ccccc1C(=O)NCCN1C(=O)S/C(=C/c2ccc3c(c2)OCO3)C1=O 57328832 NRKZTQBOSRVWPU-WOJGMQOQSA-N 410.451 3.190 0 40 HGAB CCOc1ccccc1[C@H]1NC(=O)NC(CN(CC)Cc2ccccc2)=C1C(=O)OC 57415677 MFZMAPJGDZWLLK-JOCHJYFZSA-N 423.513 3.388 0 40 HGAB CCS(=O)(=O)c1ccccc1N1CCC(NC(=O)c2cc3c(s2)CCC3)CC1 58295868 MMOALMPGPUAWQP-UHFFFAOYSA-N 418.584 3.429 0 40 HGAB NC(=O)c1oc2ccccc2c1NS(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 63911626 TVWNSTQTSIKAOI-UHFFFAOYSA-N 402.325 3.490 0 40 HGAB O=C(NCCCN1CCCC1)NC[C@@H]1CCN(c2cccc(Br)c2)C1 65512328 QFLFLFONEAJZCS-INIZCTEOSA-N 409.372 3.061 0 40 HGAB Cc1nc(C(C)C)[nH]c(=O)c1C(=O)Nc1cccc(CS(=O)(=O)C(C)(C)C)c1 72310169 WTUWISXJKWVNFV-UHFFFAOYSA-N 405.520 3.167 0 40 HGAB Cc1ncsc1C(=O)N1CCO[C@H](c2cc(C(=O)NC(C)C)c3ccccc3n2)C1 72352728 DJBDNRFVLWPDJQ-IBGZPJMESA-N 424.526 3.352 0 40 HGAB O=C(COc1ccc2c3c(c(=O)oc2c1)CCC3)NC[C@@H]1CCCN2CCCC[C@H]12 79192868 FSFQLCYXLPWMPS-HRAATJIYSA-N 410.514 3.041 0 40 HGAB biogenic Cc1ccc(C(=O)Cn2c(=O)c(Br)cn(Cc3ccccc3)c2=O)s1 89656244 MIKVJEVYKBFZNH-UHFFFAOYSA-N 419.300 3.074 0 40 HGAB Fc1cccc(F)c1C1=NO[C@@H](CN2CCN(c3ncnc4ccsc34)CC2)C1 95456077 QIHBBUCZEQERLG-CYBMUJFWSA-N 415.469 3.285 0 40 HGAB CC(=O)N(C)c1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)c2ccccc2)cc1 95461919 GZDCXRBMRUIPPG-OAQYLSRUSA-N 404.532 3.050 0 40 HGAB O=C(COc1ccccc1F)N1[C@H]2CC[C@@H]1CC(S(=O)(=O)c1ccccc1)C2 96099574 RKELPPNPZGQLDM-BYICEURKSA-N 403.475 3.200 0 40 HGAB COCCN(C)c1nc(C2CCN(Cc3ccc(OC)cc3)CC2)cc2c1ncn2C 96099964 XDMOJHHUFJSNFR-UHFFFAOYSA-N 423.561 3.439 0 40 HGAB Cc1ccc(N2CCN(CC(C)C)C3(CCN(Cc4ccccn4)CC3)C2=O)cn1 96230373 YAZWNIQTEVZEKR-UHFFFAOYSA-N 407.562 3.124 0 40 HGAB O=C(CN1CCN(Cc2ccccc2Cl)CC1)Nc1ccc2nsnc2c1 96465813 GAHRSLJLFBXLIJ-UHFFFAOYSA-N 401.923 3.101 0 40 HGAB CC[C@](Br)([C@@H](O)c1ccc(Br)cc1)S(=O)(=O)CC 96521613 YUUZMRMXLITBQE-NWDGAFQWSA-N 400.132 3.418 0 40 HGAB Cc1cc(=O)oc2c(C)c(O[C@@H](C)C(=O)NC[C@H]3CC[C@H](C(=O)O)CC3)ccc12 100765381 LZHDYJKVUJPAAS-HRCADAONSA-N 401.459 3.184 0 40 HGAB Cc1ccc(N2C(=O)[C@H]3N=NN(Cc4nc(-c5ccc(C)c(C)c5)no4)[C@@H]3C2=O)cc1 101272264 WQBWYPVUBVVEAL-OALUTQOASA-N 416.441 3.155 0 40 HGAB COc1cc([C@H](C)NC(=O)CN2C(=O)[C@H]3CCCC[C@H]3C2=O)ccc1OCC(C)C 102800803 NGZPIZPCNJLJRB-RYQLBKOJSA-N 416.518 3.082 0 40 HGAB COC(=O)c1cccc(NC(=O)CCCN(c2cc(C)cc(C)c2)S(C)(=O)=O)c1 113967990 RWZHPYRZJJLITI-UHFFFAOYSA-N 418.515 3.275 0 40 HGAB Nc1cc2nn(-c3cccc(I)c3)nc2cc1Br 216871578 PLDOIBOMHVASJI-UHFFFAOYSA-N 415.032 3.370 0 40 HGAB COc1ccc(CCNc2ccc(C(=O)O)cc2S(=O)(=O)NCCC(C)C)cc1 217519794 DQOBAASUSXLXKS-UHFFFAOYSA-N 420.531 3.372 0 40 HGAB O=C(O)[C@@H](Cc1c[nH]c2ccccc12)NCc1cnc(NCc2ccccc2)nc1 218762482 JAPDHYFFPBDDGT-OAQYLSRUSA-N 401.470 3.356 0 40 HGAB COc1ccc(N([C@H](C)C(=O)N[C@@H](C)c2ccc(C)cc2)S(C)(=O)=O)cc1OC 220241281 MQKNFRIFMGHFPX-JKSUJKDBSA-N 420.531 3.044 0 40 HGAB CCn1c(=O)oc2cc(S(=O)(=O)Nc3cccc(NC(C)=O)c3)c(Cl)cc21 223366504 BMTDKIAXCMEUFQ-UHFFFAOYSA-N 409.851 3.027 0 40 HGAB CN1CCN(c2ccc(NS(=O)(=O)c3ccc4c(c3)CCC(C)(C)O4)cc2)CC1 223668527 ZGRKEAFUBOXKRL-UHFFFAOYSA-N 415.559 3.343 0 40 HGAB Cc1ccc(C)c(OCCNC(=O)[C@H](C)N(c2ccc(C)c(C)c2)S(C)(=O)=O)c1 223999427 GOUSEVUJWFQAPV-IBGZPJMESA-N 418.559 3.270 0 40 HGAB Cc1ccc(C(=O)NCc2cccc(C(F)(F)F)c2)cc1N(C)S(C)(=O)=O 225527668 BVTNLFPEXKRGMJ-UHFFFAOYSA-N 400.422 3.340 0 40 HGAB CC(C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1ccc2c(c1)OCO2 225592959 QPEHCRNRKCXEOV-INIZCTEOSA-N 414.477 3.429 0 40 HGAB Cc1nn(C)cc1S(=O)(=O)N1CCC[C@H](c2ncc(Cc3ccc(F)cc3)o2)C1 257292822 QNCDTAQYLNEDGH-INIZCTEOSA-N 418.494 3.015 0 40 HGAB O=C(Nc1cc2nc(O)[nH]c2cc1N1CCN(c2ccccc2)CC1)C(F)(F)F 408532491 MWIIJDVPNNPKTG-UHFFFAOYSA-N 405.380 3.096 0 40 HGAB COc1cccc(OC)c1C(=O)N1CCC(C(=O)Nc2cccc(C(C)=O)c2)CC1 409021960 AYMIOVPFLKFPQK-UHFFFAOYSA-N 410.470 3.397 0 40 HGAB FC(F)(F)c1ccc(-n2cc(CN[C@H]3CCCN(c4ncccn4)C3)cn2)cc1 512105273 LGIMWSJSROCVCM-KRWDZBQOSA-N 402.424 3.440 0 40 HGAB Cc1cccc(C(=O)N2Cc3ccnn3[C@@H](CC(=O)NCCc3cccs3)C2)c1 585095995 XPARYGQYKPWRHI-IBGZPJMESA-N 408.527 3.199 0 40 HGAB CCS(=O)(=O)N(C)C1CCN(C(=O)c2nc(-c3ccccc3)oc2C2CC2)CC1 1116011713 XPUNHNVDBGPKRF-UHFFFAOYSA-N 417.531 3.105 0 40 HGAB CC(C)(C)OC(=O)C[C@H]1C[C@H](CCNC(=O)CCCn2cccc2)OC(C)(C)O1 1565519898 LJLWLEKPWCBNGR-ZWKOTPCHSA-N 408.539 3.417 0 40 HGAB biogenic O=C(NCc1cc(-c2ccco2)cs1)C(=O)Nc1cccc(N2CCCC2=O)c1 1775968645 IYKHROLWEHQIQE-UHFFFAOYSA-N 409.467 3.390 0 40 HGAB Cc1nc([C@H]2CC[C@@H](O)[C@H](NC(=O)CC(C)(C)C)C2)n(-c2nc3ccccc3[nH]2)n1 2332241631 PMBLPPIXHUEJES-BMGDILEWSA-N 410.522 3.001 0 40 HGAB COc1cc(CN(C)S(=O)(=O)c2ccc(NC(C)=O)cc2)ccc1OC(F)F 7218740 WDSNPFWPUWXWDI-UHFFFAOYSA-N 414.430 3.076 0 40 HGAB Cc1ccc(S(=O)(=O)N[C@H](C(=O)NCCCOc2ccccc2F)C(C)C)cc1 11355495 MNBHMTNBWRWQCU-FQEVSTJZSA-N 422.522 3.022 0 40 HGAB Cc1cc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2Cc2ccccc2)no1 20546783 ORYNMSOURWQSHB-UHFFFAOYSA-N 411.439 3.053 0 40 HGAB Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)CN[C@H](C)c1ccc(S(N)(=O)=O)cc1 2631283 ODDFIUJTAGTZCI-APWZRJJASA-N 420.575 3.030 0 40 HGAB Cc1sc2c(c1C)c1nc(-c3ccccc3)nn1c(=O)n2CC(=O)N1CCCC1 32096757 RFLILBFGTBYARC-UHFFFAOYSA-N 407.499 3.012 0 40 HGAB O=C(NC1CCCCC1)[C@H](c1ccncc1)N(C[C@@H]1CCCO1)C(=O)C(F)(F)F 4083288 ROHLIKBQEIZFMU-IRXDYDNUSA-N 413.440 3.142 0 40 HGAB COc1ccc(NC(=O)CSc2nnc3c(n2)[nH]c2ccc(F)cc23)c(OC)c1 4130147 QBGXLZXSQDBZJL-UHFFFAOYSA-N 413.434 3.393 0 40 HGAB CC(=O)c1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3C)C2)cc1 8039060 BWRNFUROGJDCCU-SFHVURJKSA-N 408.454 3.041 0 40 HGAB CCOc1ccccc1N1C[C@H](C(=O)OCC(=O)Nc2ccc(CC)cc2)CC1=O 8039859 RJBIORUUKMBVIR-QGZVFWFLSA-N 410.470 3.183 0 40 HGAB Cc1ccc(-c2cc(C(=O)N(Cc3ccc(C)o3)[C@@H]3CCS(=O)(=O)C3)no2)cc1 12062473 MWLJRQLNEYWWCE-QGZVFWFLSA-N 414.483 3.381 0 40 HGAB Nc1nc(CSc2nnnn2C[C@H]2CCCO2)nc2sc3c(c12)CCCCC3 22283682 HPWGHZUAFGCYCN-LLVKDONJSA-N 417.564 3.000 0 40 HGAB O=C(CSC1=Nc2c(cnn2-c2ccccc2)C2=NCCCN12)N1CCCCC1 12409296 XJAMLVWLLSHVEC-UHFFFAOYSA-N 408.531 3.071 0 40 HGAB Cc1nc(CN(C)c2nc(NC3CC3)nc(N(C)Cc3csc(C)n3)n2)cs1 89712414 YZHJJFIJIHWINR-UHFFFAOYSA-N 416.580 3.249 0 40 HGAB C[C@@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]21C 118913358 NKRVAQNWPRPQDK-HONKKMKCSA-N 406.563 3.369 0 40 HGAB COc1ccc(NC(=O)C(=O)c2ccc(C(C)(C)C)cc2)cc1NS(C)(=O)=O 60095021 OQQJDAZMQHZRIC-UHFFFAOYSA-N 404.488 3.186 0 40 HGAB CC(C)CCn1c(=O)c2sccc2n(CC(=O)Nc2cc(F)ccc2F)c1=O 57426666 ILWIIUGWBOCQBE-UHFFFAOYSA-N 407.442 3.188 0 40 HGAB COc1cc(Cl)c(C)cc1NC(=O)CN1C(=O)N[C@@](C)(c2ccsc2)C1=O 58179919 DMZJSSRHYPRXAH-SFHVURJKSA-N 407.879 3.124 0 40 HGAB NC(=O)c1cc(Cl)ccc1OCC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 27566138 CPRGOLARDCFGJA-UHFFFAOYSA-N 402.834 3.498 0 40 HGAB C[C@@H](NC(=O)c1ccccc1S[C@@H]1CCS(=O)(=O)C1)c1ccc2c(c1)OCO2 27687758 GRFYFSRQGXYZNJ-UKRRQHHQSA-N 419.524 3.186 0 40 HGAB CC1CCN(C(=O)[C@H](NC(=O)NC2CCN(CC3CC3)CC2)c2ccccc2)CC1 58225215 SXBNXQFAVVYGIF-JOCHJYFZSA-N 412.578 3.160 0 40 HGAB Cc1cc(C(=O)N2CCC(c3n[nH]c(C4CC4)n3)CC2)c2nc3n(c2n1)CCCCC3 58265433 BPCRCTCQWPLVRO-UHFFFAOYSA-N 419.533 3.481 0 40 HGAB CCCCc1cc(=O)oc2cc(OCC(=O)N[C@H](C(=O)O)c3ccccc3)ccc12 2154896 MVGUOVWPUJBEPZ-QFIPXVFZSA-N 409.438 3.457 0 40 HGAB biogenic Cc1cc(C(=O)N2CCN(C(=O)Nc3ccccc3Cn3cccn3)CC2)c(C)o1 48076208 CGGYYAMNUVWBKL-UHFFFAOYSA-N 407.474 3.131 0 40 HGAB COc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccc(F)c(F)c4)ccn3n2)cc1 7615968 WMWBIZBCHHERLX-UHFFFAOYSA-N 410.380 3.089 0 40 HGAB CCN1C(=O)[C@@H](CC(=O)Nc2ccc(OC)cc2)N(Cc2ccc(F)cc2)C1=S 2233602 WQSXKPHSXHMDMP-GOSISDBHSA-N 415.490 3.181 0 40 HGAB CSCC[C@@H](NC(=O)c1ccccc1Br)C(=O)NCc1ccccn1 28200054 QAVKUOXIDGORHR-MRXNPFEDSA-N 422.348 3.012 0 40 HGAB Cc1nn(-c2ccccc2)c(C)c1C(=O)OCc1cccc(S(=O)(=O)N(C)C)c1 3375919 GRXPDQSVKCWPJB-UHFFFAOYSA-N 413.499 3.096 0 40 HGAB Cc1cc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3F)CC2)nc(C(C)C)n1 12788468 DZTZNHZHKGCLHS-UHFFFAOYSA-N 412.918 3.212 0 40 HGAB Cc1nc2ccc(NC(=O)NCc3ccc(N4CCCN(C)CC4)nc3)cc2s1 48237633 BXAALYZOXHIJBW-UHFFFAOYSA-N 410.547 3.463 0 40 HGAB Cc1nn(-c2ccc(C(=O)NC3CCN(C(=O)C4CC4)CC3)cc2)c(C)c1Cl 48285805 ZGFXOLIVEIYHJD-UHFFFAOYSA-N 400.910 3.273 0 40 HGAB CCC(=O)c1ccc(O[C@@H](C)C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)cc1 12801494 VYTBWMAXBCULJT-NSHDSACASA-N 408.376 3.219 0 40 HGAB NC(=O)[C@@H](CCC(=O)c1cccs1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 4040498 GBWSCUCBRGDEKH-CQSZACIVSA-N 406.312 3.346 0 40 HGAB CC(C)(C)c1ccc(O)c(NC(=O)c2cccc(CN3CCS(=O)(=O)CC3)c2)c1 64354375 DWXOUDXMYXVGGS-UHFFFAOYSA-N 416.543 3.172 0 40 HGAB O=C(Nc1cccc(CO)c1)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 8033484 RQUBQNVWSFICAG-UHFFFAOYSA-N 400.431 3.371 0 40 HGAB COc1ccc(C)cc1COC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1 5282073 QAZLZQXKVHGPSH-UHFFFAOYSA-N 415.467 3.432 0 40 HGAB CCCNS(=O)(=O)c1ccc(OCC(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1 20019672 ARRBMDQQOSFKDE-AWEZNQCLSA-N 410.923 3.285 0 40 HGAB CC(C)[C@@H](C(=O)N1CCC(Cc2ccccc2)CC1)n1nnc2ccccc2c1=O 5322544 CPCAZMJEGJLCSV-QFIPXVFZSA-N 404.514 3.470 0 40 HGAB COc1ccccc1CCNC(=O)Cn1c(S)nnc1-c1ccc(Cl)cc1 17845858 FMTBCNFYUPOSHV-UHFFFAOYSA-N 402.907 3.255 0 40 HGAB O=C1C[C@H](C(=O)NCc2cccc(C(F)(F)F)c2)[C@H](c2ccc3c(c2)OCCO3)O1 66088454 WSWIYSMTSMKDLQ-KXBFYZLASA-N 421.371 3.397 0 40 HGAB CC(C)(C)c1ccc(OCCNC(=O)c2ccc(N3CCCS3(=O)=O)cc2)cc1 8368956 AVOATWKDNDFRNR-UHFFFAOYSA-N 416.543 3.333 0 40 HGAB O=C(CSc1nnnn1C[C@H]1CCCO1)N(c1ccccc1)C1CCCCC1 8327081 DECUNYGVKWAITG-GOSISDBHSA-N 401.536 3.310 0 40 HGAB Cc1cc(Br)ccc1NC(=O)CN1C(=O)N[C@@](C)(CCC(C)C)C1=O 6851350 WIIDBHSXGDCZAR-SFHVURJKSA-N 410.312 3.443 0 40 HGAB COc1ccc(S(=O)(=O)Nc2cccc(S(=O)(=O)N3CCCCCC3)c2)cc1 8686715 GBTXRDVQCUXLHO-UHFFFAOYSA-N 424.544 3.061 0 40 HGAB CC[C@@H](C)n1c(SCC(=O)Nc2ccc3c(c2)OCO3)nc2cc(C)[nH]c2c1=O 67239068 UIUHFHNKSVCVHC-GFCCVEGCSA-N 414.487 3.464 0 40 HGAB CCNC(=O)NC(=O)[C@@H](C)N(C)Cc1ccc(-c2ccc(Br)cc2)o1 15481070 LZEWOXNBEDJCJU-GFCCVEGCSA-N 408.296 3.375 0 40 HGAB O=C(NC[C@@H](c1ccco1)N1CCCC1)C1CCN(C(=O)c2ccc(F)cc2)CC1 9217441 CNGGCLQFRVPLDK-FQEVSTJZSA-N 413.493 3.224 0 40 HGAB Cc1csc(CC(=O)N2CCN(C(=O)c3cc4c(s3)CCCCC4)CC2)n1 9336534 CWNZGEPMWWHFDG-UHFFFAOYSA-N 403.573 3.309 0 40 HGAB CCOC(=O)C1CCN(C(=O)COCC(=O)N(c2ccccc2)c2ccccc2)CC1 9355452 VRTGPTJTVXDBCX-UHFFFAOYSA-N 424.497 3.170 0 40 HGAB COc1cccc(-n2nc(C)c([C@@H]3COCCN3Cc3nnc(C4CC4)o3)c2C)c1 95999874 ILNOLNYEMFXJBB-IBGZPJMESA-N 409.490 3.332 0 40 HGAB COC(=O)c1nc(NC(=O)COc2cc3oc(=O)cc(C)c3cc2Cl)sc1C 79490638 QPBDJBVOXXFNDS-UHFFFAOYSA-N 422.846 3.324 0 40 HGAB CCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(F)c(F)c2F)c(C)c1 20022204 OOOTVGGQNFXHHG-UHFFFAOYSA-N 416.421 3.118 0 40 HGAB CCn1cc(C(=O)N2CCN(c3ccccc3F)CC2)c(=O)c2cc(OC)ccc21 22235915 DFOUUXHLNXDEFW-UHFFFAOYSA-N 409.461 3.132 0 40 HGAB COc1ccc(C)cc1N(CC(=O)Nc1cccc(OC(C)C)c1)S(C)(=O)=O 408626784 WZPBYCLERJMNMW-UHFFFAOYSA-N 406.504 3.196 0 40 HGAB CN(c1ccccc1C(=O)NCCSCc1ccccc1Cl)S(C)(=O)=O 409332328 QEDZDCPZNPATNZ-UHFFFAOYSA-N 412.964 3.399 0 40 HGAB COc1ccc(OC)c(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccccc3C)C2)c1 408552719 NDLCVQXCINVNFQ-MRXNPFEDSA-N 418.515 3.052 0 40 HGAB C[C@H]1CCc2c(sc3nc(CCN4CCN(c5ccccc5O)CC4)nc(N)c23)C1 32850908 SLGCWWDFWBLUPO-HNNXBMFYSA-N 423.586 3.469 0 40 HGAB CCOC(=O)C1=C(C)N=C(SCC(N)=O)N[C@H]1c1cccc(Cl)c1Cl 408991606 QRZVTVHVFIJLDF-AWEZNQCLSA-N 402.303 3.049 0 40 HGAB COc1cccc(-n2nc(C)c([C@@H]3COCCN3C(=O)CC3(O)CCCC3)c2C)c1 501158947 GFKIPOBSGXPQER-FQEVSTJZSA-N 413.518 3.093 0 40 HGAB CC(C)(C)c1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)Nc1ccc(F)cc1F)O2 38853641 QRHJEIZQMXEXSM-SFHVURJKSA-N 424.469 3.428 0 40 HGAB CCC(CC)[C@@H](CNC(=O)CCCNC(=O)c1ccc(Cl)cc1)N1CCOCC1 30941376 IFVBNKNTAJHNQH-HXUWFJFHSA-N 423.985 3.103 0 40 HGAB O=C(CNC(=O)c1ccccc1)Nc1cccc(NC(=O)c2ccc3c(c2)OCO3)c1 32796112 XCKKUUPHKRXHBN-UHFFFAOYSA-N 417.421 3.036 0 40 HGAB COc1cccc(COCC(=O)Nc2c(C(=O)N3CCOCC3)oc3ccccc23)c1 40131746 SUKFUJCMPXOCTI-UHFFFAOYSA-N 424.453 3.069 0 40 HGAB CCCCOC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)sc(=O)n3C)cc1 225679587 PDSZVHRVBLKRGY-UHFFFAOYSA-N 420.512 3.358 0 40 HGAB CCN(Cc1ccccc1)C(=O)CCCN(c1cccc(OC)c1)S(C)(=O)=O 225823610 DYBOMLWVUKHUJZ-UHFFFAOYSA-N 404.532 3.290 0 40 HGAB COc1cccc([C@@H](NC(=O)NCCCCN2CCC[C@@H](C)C2)c2nccn2C)c1 195529346 KUVNYZCDZPGCQN-WIYYLYMNSA-N 413.566 3.329 0 40 HGAB COCc1cccc(C(=O)N2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)c1 40122007 ZXCQXKAAEAYCQH-UHFFFAOYSA-N 406.404 3.450 0 40 HGAB COc1ccc(C(=O)NC(C)C)cc1CN(C)S(=O)(=O)c1ccc(Cl)cc1 224787102 DAMDQSMNWDRDHA-UHFFFAOYSA-N 410.923 3.308 0 40 HGAB C[C@@H](CC(C)(C)c1ccccc1)NC(=O)CN(Cc1ccccc1)S(C)(=O)=O 223729780 SSMFSLNITZHSDI-SFHVURJKSA-N 402.560 3.321 0 40 HGAB CCCN1CCN(Cc2c[nH]cn2)C[C@@H](Cc2ccccc2-c2ccncc2)C1=O 257242874 IEOOAWPIOKCIOP-OAQYLSRUSA-N 403.530 3.385 0 40 HGAB O=C(c1nccc2ccccc12)N1CCC2(CC1)C[C@@H](O)[C@H](c1ccccc1)NC2=O 257323820 WLYRERVNFWEGIV-RTWAWAEBSA-N 415.493 3.079 0 40 HGAB COc1ccc(CN(C)C[C@]2(O)CCN(Cc3ccc(OCCF)cc3)C2)cc1 585269633 DRTISZXPVMHAJE-HSZRJFAPSA-N 402.510 3.112 0 40 HGAB NS(=O)(=O)c1cccc(NC(=O)CCCOc2ccc(Cl)cc2Cl)c1 5975883 BSEHTVOTVAJYKE-UHFFFAOYSA-N 403.287 3.439 0 40 HGAB CCN(CC)c1ncc(CN2CCC[C@H]2c2nc(-c3ccccn3)cc(=O)[nH]2)s1 19526519 JPCGJWRSPYGNBK-SFHVURJKSA-N 410.547 3.472 0 40 HGAB COc1ccc(CC(=O)NCCn2ncc(-c3cnccn3)c2-c2cccs2)cc1 19554390 IEZMWEBHQUDGQS-UHFFFAOYSA-N 419.510 3.436 0 40 HGAB Cc1nn(C)c(C)c1NC(=O)CCN1CCC[C@@H](Cc2nc3ccc(F)cc3[nH]2)C1 19716001 GWLAPOYRETUPDP-INIZCTEOSA-N 412.513 3.336 0 40 HGAB Cc1nc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)COc2ccccc2F)cc(=O)[nH]1 19240978 CTSZYZNLNQUNID-LJQANCHMSA-N 420.444 3.178 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc2oc(Nc3ccc4c(c3)OCCO4)nc2c1 5656584 KFKSXENXQRCQML-UHFFFAOYSA-N 403.460 3.373 0 40 HGAB Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccc(N3CCCC3)cc2C)cc1 11575182 WATYEPGETIDDNZ-KRWDZBQOSA-N 401.532 3.209 0 40 HGAB COc1ccc(-n2nnc3c(SCC(=O)Nc4cccc(C)c4)ncnc32)cc1 4166743 DSYYOVZZHKAHLV-UHFFFAOYSA-N 406.471 3.258 0 40 HGAB COc1cccc(-n2nnc3c(=O)n(Cc4ccc(Cl)c(Cl)c4)cnc32)c1 4266865 XRIBSKJJIKOGCM-UHFFFAOYSA-N 402.241 3.341 0 40 HGAB COc1ccc(NC(=O)NCCS(=O)(=O)c2c(C)[nH]c3ccccc23)cc1OC 8923872 SVQFGTVBFSECQI-UHFFFAOYSA-N 417.487 3.089 0 40 HGAB COc1ccc(CCNC(=O)NC[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1 9040311 RZDQAXWKWXOOSK-INIZCTEOSA-N 401.894 3.243 0 40 HGAB CCc1ccc(OC)c(S(=O)(=O)Nc2ccc3c(c2)OCC(C)(C)C(=O)N3C)c1 9165916 BSRHIUFZZXLPBY-UHFFFAOYSA-N 418.515 3.440 0 40 HGAB O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1cccnc1)N1CCc2ccccc21 11696073 SQOAULLYMNMTIB-UHFFFAOYSA-N 411.458 3.005 0 40 HGAB COc1cc([C@@H]2[C@@H](C(=O)Nc3ccc(Cl)cc3)[C@H](C)Nc3ncnn32)ccc1O 247926684 AXBUNIMTJDZABI-FJNPEDAXSA-N 413.865 3.304 0 40 HGAB COC(=O)C1CCN([C@H](c2cccc(Cl)c2)c2sc3nc(C)nn3c2O)CC1 23157724 QCUUVFYELSVAFH-OAHLLOKOSA-N 420.922 3.433 0 40 HGAB CCn1c(O)c(C(=O)NNC(=O)c2ccc(Cl)cc2Cl)c(=O)c2ccccc21 15994183 HVKGOQJWSLXEGO-UHFFFAOYSA-N 420.252 3.109 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)c3ccccc3)CC2)cc1C 813983 UTSMZOYQTNKKOO-KRWDZBQOSA-N 416.543 3.282 0 40 HGAB CCOC(=O)[C@@H]1S[C@]2(C(F)F)C[C@@]1(O)c1c(c(OC)c3occc3c1OC)O2 1294581 UVSRNJPOKWRXBT-QGTPRVQTSA-N 416.398 3.060 0 40 HGAB COc1cc(C)nc(N2CCC[C@H](C(=O)Nc3ccc(Br)cc3)C2)n1 1344069 NICJLMOVZITBPE-ZDUSSCGKSA-N 405.296 3.411 0 40 HGAB CNS(=O)(=O)c1cc(-c2nn3c(-c4ccco4)nnc3c3ccccc23)ccc1C 2205460 RIURJWXCTYZZRJ-UHFFFAOYSA-N 419.466 3.421 0 40 HGAB CCOC(=O)c1ccc(-n2c(N)c(C(=O)NC3CC3)c3nc4ccccc4nc32)cc1 2206075 TXRMBXZWLYRZSY-UHFFFAOYSA-N 415.453 3.225 0 40 HGAB CC(C)N(C(=O)NC(=O)Nc1ccc(OCc2ccccc2)cc1)S(C)(=O)=O 3187748 UGIMNMKCKMMTQT-UHFFFAOYSA-N 405.476 3.177 0 40 HGAB O=C(COC(=O)CNC(=O)c1ccccc1)Nc1ccc(Cl)cc1C(F)(F)F 3224798 YMENLLPQHQEKRQ-UHFFFAOYSA-N 414.767 3.271 0 40 HGAB aggregator Cc1cc(O[C@@H](C)C(=O)N[C@H](C(=O)O)c2ccccc2)c2c3c(c(=O)oc2c1)CCC3 4037430 DSAGYHKERFGOOJ-QKKBWIMNSA-N 421.449 3.300 0 40 HGAB biogenic Cc1ccc(-n2ncc3c(=O)n(CC(=O)Nc4c(C)cc(C)cc4C)cnc32)cc1 4165795 RGOWVSROPNNXGD-UHFFFAOYSA-N 401.470 3.455 0 40 HGAB CCOC(=O)C1(c2ccccc2)CCN(CC(=O)Nc2ccc(C(=O)OC)cc2)CC1 4491801 RBVUXISKQXTHAN-UHFFFAOYSA-N 424.497 3.009 0 40 HGAB CC[C@@H](c1nnc(S[C@@H](C)C(=O)N2CCCC2)n1Cc1ccccc1)N(C)C 4494505 OXQFZWUCANOXEM-WMZOPIPTSA-N 401.580 3.442 0 40 HGAB Cc1ccc(NC(=O)CSc2nn3c(=O)c(C(C)(C)C)nnc3s2)c(C)c1 4569855 DJRVOASKWTUBMV-UHFFFAOYSA-N 403.533 3.191 0 40 HGAB Cc1c([C@@H]2c3ccccc3C(=O)N2CC(=O)NC[C@H]2CCCO2)c2ccccc2n1C 4739553 XARLHGBDKXZUMZ-OSPHWJPCSA-N 417.509 3.327 0 40 HGAB COCCn1c(SCC(=O)Nc2ccc(C(C)=O)cc2)nnc1-c1ccco1 4861150 WPDQPKWMTRRSEF-UHFFFAOYSA-N 400.460 3.118 0 40 HGAB Cc1ccc(C2=NN(C(=O)CSc3nc(N)cc(N)n3)[C@@H](c3ccco3)C2)cc1 4894180 UPKMWUIJOYVDIR-OAHLLOKOSA-N 408.487 3.012 0 40 HGAB COc1ccc([C@H]2C(C(=O)OCCOC(C)C)=C(C)Nc3ncnn32)cc1Cl 4987200 LAVWGJKOMDLTDF-KRWDZBQOSA-N 406.870 3.197 0 40 HGAB CC(=O)N/C(=C\c1ccccc1)C(=O)OCC(=O)Nc1ncc(Cl)cc1Cl 5206229 JDWSOEPGCHBLIQ-CHHVJCJISA-N 408.241 3.047 0 40 HGAB CC(C)Oc1ccc(C(=O)Nc2nnc(-c3ccc(S(C)(=O)=O)cc3)o2)cc1 5240649 PJMACCPVVIMWGO-UHFFFAOYSA-N 401.444 3.180 0 40 HGAB Cc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)c(C)c1 5558620 WWYUWYDGBLRALT-UHFFFAOYSA-N 408.907 3.230 0 40 HGAB CCOC(=O)c1cnc(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nc1N 5969491 NWZONONWMZVYMY-UHFFFAOYSA-N 401.275 3.273 0 40 HGAB CCOC(=O)C1=C(COC(=O)C2(c3ccc(F)cc3)CCCC2)NC(=O)N[C@H]1CC 6063021 RLOLSPAWBFMDSX-INIZCTEOSA-N 418.465 3.089 0 40 HGAB Cc1ccccc1C(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 6787888 HUZANIYQRMMNJW-UHFFFAOYSA-N 413.326 3.449 0 40 HGAB CCN(CC)C(=O)COc1ccc(N(C)S(=O)(=O)c2ccc(C)c(C)c2)cc1 6787968 ZFGHUHDMYWRPBI-UHFFFAOYSA-N 404.532 3.376 0 40 HGAB O=C(Cn1cnc2scc(-c3ccccc3)c2c1=O)Nc1ccc2c(c1)OCO2 7313347 RBTZODBCJKGOOX-UHFFFAOYSA-N 405.435 3.492 0 40 HGAB CCOC(=O)c1oc2ccccc2c1COC(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12 7433716 ZDTNDMCEEBQJPS-VLIAUNLRSA-N 403.456 3.107 0 40 HGAB COc1cccc(CN(C(=O)c2ccc(OC)c(Cl)c2)[C@H]2CCS(=O)(=O)C2)c1 8917194 OXQJDVCVXWYAHB-INIZCTEOSA-N 423.918 3.187 0 40 HGAB Cc1nc(N2CCN(C(=O)c3ccco3)CC2)nc2c1C(=O)C[C@@H](c1cccs1)C2 8995770 COLBHDIWKLSVSH-HNNXBMFYSA-N 422.510 3.315 0 40 HGAB O=C(NC[C@H]1CN(c2ccc3c(c2)OCO3)C(=O)O1)c1ccccc1C(F)(F)F 9120951 GNFZOQTXYDWBHA-LBPRGKRZSA-N 408.332 3.189 0 40 HGAB CCOc1ccc([C@H]2Nn3c(C)nnc3S[C@@H]2C(=O)NCc2ccccc2)cc1 9239011 LRDWCRGANODPNO-MOPGFXCFSA-N 409.515 3.061 0 40 HGAB O=C(Cn1c(C(F)(F)F)nc2ccccc21)OCCCn1c(=O)[nH]c2ccccc21 9988420 WUVVEGSQXHIBPF-UHFFFAOYSA-N 418.375 3.332 0 40 HGAB COC(=O)c1cccc(NC(=O)[C@H](C)N2c3cccc4cccc(c34)S2(=O)=O)c1 10296308 WKPUKBRNUOYWOJ-ZDUSSCGKSA-N 410.451 3.162 0 40 HGAB CCOc1ccc([C@@H]2c3c(/C=C/c4ccccc4)nnc(O)c3Nc3nnnn32)cc1 10298033 OQERFZAQUKTQJD-ZTVSIKPCSA-N 413.441 3.433 0 40 HGAB COc1cc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc(OC)c1OC 10342388 SQJRUTJWGLNTFF-UHFFFAOYSA-N 407.366 3.412 0 40 HGAB CCc1nc2ccccc2n1CC(=O)N1CCC[C@@H](c2nc(-c3cccnc3)n[nH]2)C1 12087316 ZUELJVSLZUWBJH-QGZVFWFLSA-N 415.501 3.185 0 40 HGAB Cc1ccc(N2C(=O)N[C@](NC(=O)c3ccccc3F)(C(F)(F)F)C2=O)cc1C 12462214 KTOYLMVPGMMNBR-SFHVURJKSA-N 409.339 3.187 0 40 HGAB Cc1nc(-c2ccc(CNC(=O)c3cc(S(N)(=O)=O)ccc3C)cc2)cs1 12615506 GFRIZNHAFJKRAN-UHFFFAOYSA-N 401.513 3.004 0 40 HGAB C[C@@H](NC(=O)CN1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1)c1ccccc1 12807547 WULNJUJZQGHQPE-QGZVFWFLSA-N 408.498 3.230 0 40 HGAB COC(=O)CN1CCN(c2ncnc3cc(-c4ccc(Cl)cc4)sc23)CC1 12912498 KEKRXUYXWVMJFU-UHFFFAOYSA-N 402.907 3.307 0 40 HGAB CCOc1ccc(OC[C@@H](O)Cn2cnc3sc4c(c3c2=O)CCCC4)cc1 12974912 LFHZQDUVBFKCKV-AWEZNQCLSA-N 400.500 3.175 0 40 HGAB Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCCN2CCOCC2)c(C)c1 13005412 OJSOQGWOWYUDPV-UHFFFAOYSA-N 404.514 3.218 0 40 HGAB Cc1cc(-c2snnc2[C@@H]2CCCN(C(=O)CCc3c(C)nn(C)c3C)C2)on1 13225978 IYAPJTIMGYMFHD-OAHLLOKOSA-N 414.535 3.191 0 40 HGAB COc1ccc(C(=O)O)cc1S(=O)(=O)Nc1cc2c(cc1Cl)OCCCO2 13278750 PWONGPVYXISYKA-UHFFFAOYSA-N 413.835 3.009 0 40 HGAB CCOc1ccc(CNC(=O)[C@@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)cc1 13632685 JCCBEUSNEVWLIR-CQSZACIVSA-N 410.923 3.210 0 40 HGAB O=C(Nn1cnnc1)c1ccc(NC(=O)c2ccccc2C(=O)c2ccccc2)cc1 14405754 XDDVJPJSRQVODF-UHFFFAOYSA-N 411.421 3.145 0 40 HGAB COc1cc2oc(=O)c(CC(=O)N[C@@H](C(=O)O)c3ccccc3)c(C)c2cc1Cl 15955687 HZRJBYGCMKVULA-LJQANCHMSA-N 415.829 3.248 0 40 HGAB biogenic COc1ccc(S(=O)(=O)N(C)CC(=O)NC(c2ccccc2)c2ccccc2)cc1 16187713 YKVHBRODAARRIP-UHFFFAOYSA-N 424.522 3.222 0 40 HGAB Brc1cc(-c2nc3c4cn[nH]c4ncn3n2)sc1Br 17081802 KBJASYSJBJEMLE-UHFFFAOYSA-N 400.059 3.254 0 40 HGAB Cc1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H]([C@@H]1CCCN(C(=O)C[C@H]3CCCO3)C1)N2 19127677 PZBZPFUKEYBMTQ-LVQVYYBASA-N 400.445 3.287 0 40 HGAB Cc1ccc(S(=O)(=O)N2C[C@H]3C[C@H](NC(=O)c4oc5ccccc5c4C)[C@H]3C2)cc1 19211776 LTPQLZMOEHGHCQ-UXPWSPDFSA-N 424.522 3.489 0 40 HGAB O=C(OC[C@H]1CCCN(Cc2nc(-c3ccc(-c4ccncn4)cc3)no2)C1)C1CC1 19336836 TVNUPIWQUKDKET-INIZCTEOSA-N 419.485 3.359 0 40 HGAB Cc1ncc(C(=O)N2CCO[C@H](c3nccnc3-c3cccc(Cl)c3)C2)c(C)n1 19693369 NIVDRMUUYRGIEN-SFHVURJKSA-N 409.877 3.418 0 40 HGAB CC(=O)N1CCc2nc([C@H]3CCCN(C)C3)nc(N3CCC(C(C)(C)C)CC3)c2C1 19711297 MXRUXZBWFUYBGO-SFHVURJKSA-N 413.610 3.453 0 40 HGAB COC(C)(C)C(=O)N1CCC[C@@H](c2nc(C)c3c(n2)N(Cc2ccccc2)C(=O)C3)C1 19743791 ARXINPRUBIVANZ-GOSISDBHSA-N 422.529 3.005 0 40 HGAB CCN1CCN([C@@H](CNC(=O)c2cc(-c3ccccc3)on2)c2ccccc2)CC1 19796744 JMKIYTCTMAAOGK-QFIPXVFZSA-N 404.514 3.450 0 40 HGAB CC1CCN(C(=O)COc2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)CC1 19937847 XUELKZFRGPFOQD-UHFFFAOYSA-N 402.516 3.149 0 40 HGAB CC[C@H](NC(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O)c1ccccc1 20490882 PLHCQOFNHXKWRZ-INIZCTEOSA-N 410.923 3.382 0 40 HGAB CCCn1c(=O)n(CCC(=O)N2CCN(Cc3cccs3)CC2)c2ccccc21 21929913 MAHUIWYSIFGMOU-UHFFFAOYSA-N 412.559 3.009 0 40 HGAB O=C(Nc1cccc(-c2nnnn2C2CC2)c1)c1ccccc1OC[C@H]1CCCO1 22181389 KDIXNGXALHTODW-GOSISDBHSA-N 405.458 3.485 0 40 HGAB COc1cc(OC)cc(C(=O)N[C@H](C(=O)N2CCC[C@H](C(F)(F)F)C2)C(C)C)c1 24183625 NVXRGOPLBCIBCY-YOEHRIQHSA-N 416.440 3.259 0 40 HGAB CCOC(=O)Cc1csc(NC(=O)CCC(=O)c2ccc3c(c2)OCCCO3)n1 25045228 IOJKZVMNMWOFSH-UHFFFAOYSA-N 418.471 3.012 0 40 HGAB CSCC[C@H](NC(=O)CN1C(=O)[C@H](C)Oc2ccccc21)c1nc2ccccc2[nH]1 30911590 QJVNAIPJXPXGGH-YOEHRIQHSA-N 424.526 3.287 0 40 HGAB COCc1nnc(NC(=O)c2ccc3c(c2)C(=O)N(C2CCCCCC2)C3=O)s1 31811284 SIJRPLGQKKUIEV-UHFFFAOYSA-N 414.487 3.256 0 40 HGAB COc1ccc(COC[C@H](O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 32907322 QVZHMZQOIQXHDQ-GDBMZVCRSA-N 414.527 3.169 0 40 HGAB O=C(CN1C(=O)c2ccccc2C1=O)NCc1ccc(COCc2ccccc2)cc1 32925791 IAJKGYPJTGEKDC-UHFFFAOYSA-N 414.461 3.316 0 40 HGAB Cc1cc(C)cc(NC(=O)CN2CCC3(CC2)N=C(c2ccc(C)c(C)c2)C(=O)N3)c1 35430798 BUBAEWNSWSBXPS-UHFFFAOYSA-N 418.541 3.270 0 40 HGAB biogenic C[C@H]1CCc2c(sc(NC(=O)[C@@H]3CCS(=O)(=O)C3)c2C(=O)c2ccccc2)C1 40072360 RTNSHIYPAHXRNM-DZGCQCFKSA-N 417.552 3.477 0 40 HGAB Cc1ccc(-n2c(SCC(=O)N[C@H]3CCCCNC3=O)nc3ccccc32)cc1 40127186 FFPPIXKBUGUFPR-SFHVURJKSA-N 408.527 3.211 0 40 HGAB COc1cc(C(=O)NCCCc2nc(-c3cccs3)no2)cc(OC)c1OC 41097285 QKMHACUTYRWIPK-UHFFFAOYSA-N 403.460 3.187 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)c3ccc(C)cc3)CC2)cc1 45174102 LNJKJJRFVVCYAE-KRWDZBQOSA-N 416.543 3.282 0 40 HGAB CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(-n2cc[nH]c2=O)cc1 48230191 RHYAATFILOQQEO-LJQANCHMSA-N 422.485 3.240 0 40 HGAB CCc1ccc(-n2cc(C(=O)N3CCC(NC(=O)c4cccc(F)c4)CC3)nn2)cc1 49406450 NDXZXZRXVUSPHN-UHFFFAOYSA-N 421.476 3.003 0 40 HGAB Cc1cc(C)cc(Nc2nc(C)cc3nn(CC(=O)Nc4ccccc4F)c(=O)n23)c1 49410692 CNXWEIMZCKSIBG-UHFFFAOYSA-N 420.448 3.338 0 40 HGAB COc1ccccc1[C@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1 52957401 LZRJFPKNCXYCCO-ROUUACIJSA-N 416.543 3.282 0 40 HGAB Cc1cc(=O)c(C(=O)NCc2ccccc2N2CCCC2)nn1-c1ccccc1F 60409337 QEUGHQJODCYMLM-UHFFFAOYSA-N 406.461 3.210 0 40 HGAB CN(Cc1ccccc1)C[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=S)NCc1ccco1 67870701 IOBTTYGUGWLYFO-PCCBWWKXSA-N 412.603 3.086 0 40 HGAB biogenic,in-vitro CCNC(=O)N1CCc2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc21 72301080 SPNRVAUGHXFMTQ-UHFFFAOYSA-N 424.320 3.342 0 40 HGAB NC(=O)c1cccc(CNC(=O)[C@@H](c2cccc(Br)c2)N2CCCC2)c1 72306933 YOTGMNDYPXTVRZ-GOSISDBHSA-N 416.319 3.001 0 40 HGAB O=C(CN1CCC[C@@H]1CN1CCC[C@@H]1CO)Nc1ccc(Cl)cc1C(F)(F)F 72313482 XTVBQGINVZTBSJ-HUUCEWRRSA-N 419.875 3.218 0 40 HGAB CC(=O)c1ccc(NC(=O)COC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@H](C)N3)cc1 80338686 KHWQWPVOKANOHX-ZUZCIYMTSA-N 424.379 3.189 0 40 HGAB CCNC(=O)c1cccc(NC(=O)COc2ccc([C@@](C)(O)C(F)(F)F)cc2)c1 84791105 KXLAQBDHHPNKES-LJQANCHMSA-N 410.392 3.224 0 40 HGAB O=C(CC12CC3CC(CC(C3)C1)C2)NCC(=O)N1C[C@@H](O)C[C@H]1c1ccc(F)cc1 95455869 LCIMDQYPDFANBO-ITFPMBOLSA-N 414.521 3.183 0 40 HGAB Cc1ccc(CNC(=O)c2nc3c(NCc4ccccn4)nc4ccccc4n3n2)o1 96146565 CXRQZICVYQKYDR-UHFFFAOYSA-N 413.441 3.116 0 40 HGAB Cc1noc(C)c1CN1CCC[C@@]2(CCN(S(=O)(=O)c3ccc(F)cc3)C2)C1 96216022 RWDRVXBKEZEZGL-HXUWFJFHSA-N 407.511 3.107 0 40 HGAB Cc1ccc(S(=O)(=O)N2CC[C@@]3(C[C@@H]3C(=O)Nc3cccc(F)c3)C2)cc1F 96227269 FDNZPUABTONHLN-YLJYHZDGSA-N 406.454 3.313 0 40 HGAB C[C@H](N[C@H]1CN(Cc2ccccc2)CC[C@@H]1C)c1ccc(S(=O)(=O)N(C)C)cc1 97034452 SXKQPZSVQNNKSE-YDHSSHFGSA-N 415.603 3.498 0 40 HGAB C[C@@H](C[C@H]1COCCN1C(=O)OC(C)(C)C)NCc1ccccc1-n1ccnc1 97162373 LPPXRIXULZMQGG-HKUYNNGSSA-N 400.523 3.376 0 40 HGAB CCOC(=O)c1ccc(N2C(=O)C[C@@H](SCCc3nc4ccccc4[nH]3)C2=O)cc1 100159441 CGOQNMVYAPOTLF-GOSISDBHSA-N 423.494 3.347 0 40 HGAB CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1cc2ccc(C)cc2[nH]c1=O 100255867 LAJVASZPIWUIAP-UHFFFAOYSA-N 410.470 3.198 0 40 HGAB O=C(CCCN1CCCC1=O)NC[C@H]1CC[C@H](c2ncncc2-c2ccccn2)CC1 100727880 KIQTUPMARTYEPB-KDURUIRLSA-N 421.545 3.331 0 40 HGAB COC(=O)C1=C(c2ccc(Cl)cc2)NC(=S)N[C@@H]1c1cc(OC)ccc1OC 105093877 HTIZUQVATXJIOH-GOSISDBHSA-N 418.902 3.460 0 40 HGAB COc1cccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C2)c1 138859037 UCRFSWMQAMEUPN-AWEZNQCLSA-N 416.861 3.192 0 40 HGAB COC(=O)[C@@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)CSc1ccc(F)cc1 206796947 WAKMHLBHXNKGMU-PBHICJAKSA-N 407.438 3.278 0 40 HGAB COc1ccc(-c2noc(CNC(=O)C3CCN(Cc4ccccc4F)CC3)n2)cc1 219424502 RCYVKNVCVGOCRK-UHFFFAOYSA-N 424.476 3.413 0 40 HGAB CC(C)Oc1ccc(CNC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)cc1 219697103 SJTBRCZTIUWIFK-UHFFFAOYSA-N 410.923 3.064 0 40 HGAB CCOC(=O)c1ccc(NC(=O)c2ccc(C)c(N(C)S(C)(=O)=O)c2)cc1Cl 222463252 XIFPQWFOALVRNI-UHFFFAOYSA-N 424.906 3.473 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N(C)c3ccc(F)cc3)C2)cc1C 222533032 HYTMPQLMYHSMAA-INIZCTEOSA-N 420.506 3.206 0 40 HGAB CCC(=O)N(Cc1ccc(F)cc1)[C@H](C)C(=O)NCCc1ccc(OC)c(OC)c1 222903735 RPBXGRRJYKXYDS-MRXNPFEDSA-N 416.493 3.329 0 40 HGAB C[C@H](CNC(=O)CCCN(c1ccc(F)c(F)c1)S(C)(=O)=O)c1ccccc1 224890200 WXKKJLXEFQMSSP-OAHLLOKOSA-N 410.486 3.431 0 40 HGAB O=C(C1CC1)N1CCc2cc(S(=O)(=O)NCCSc3ccccc3)ccc21 225105094 LFVMZYUJOJYBAK-UHFFFAOYSA-N 402.541 3.056 0 40 HGAB CNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)Cc1ccccc1F 225496187 ZPISFUPXSWWJME-CYBMUJFWSA-N 407.283 3.294 0 40 HGAB COc1ccc(-c2noc(CNC(=S)Nc3ccc(OC)cc3OC)n2)cc1 225823598 OFJXSEDPGQCHCV-UHFFFAOYSA-N 400.460 3.249 0 40 HGAB CSc1ccc(S(=O)(=O)NCCOc2ccccc2Cl)cc1NC(C)=O 225845398 KSZPSAKUXVFXIZ-UHFFFAOYSA-N 414.936 3.378 0 40 HGAB C[C@H]1Cc2cc(Br)ccc2N1C(=O)CCN1C(=O)c2ccccc2C1=O 225874745 HOZYDGBVLMKOPE-LBPRGKRZSA-N 413.271 3.413 0 40 HGAB O=C(Cn1ccc2ccccc21)N1CCC(n2c(O)nc3ccc(F)cc3c2=O)CC1 253537724 QNQCZHNJKPBDEP-UHFFFAOYSA-N 420.444 3.060 0 40 HGAB COc1ccccc1C(=O)N1CCC[C@](COc2ccc(F)cc2)(CC(N)=O)C1 257290220 QCBKEPRMTHWKBI-QFIPXVFZSA-N 400.450 3.011 0 40 HGAB O=C(COc1cccnc1)N1CCC[C@@]2(C[C@@H](Oc3ccccc3Cl)CO2)C1 257303879 SJDSGDFSSSKWDG-DYESRHJHSA-N 402.878 3.343 0 40 HGAB Cc1cc(Nc2nc(C)c(C)s2)cc([C@H]2CN(C(=O)Cn3cccn3)CCO2)n1 257309421 UAWKXLKPHIJUAI-GOSISDBHSA-N 412.519 3.004 0 40 HGAB COCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1C[C@H]1CCCO1 260916559 JMDQHMYQOQEKLZ-AHRSYUTCSA-N 400.548 3.071 0 40 HGAB Cc1nc(CN2CC[C@@]3(CN(CC4CC4)C[C@@H]3c3cn(C(C)C)cn3)C2=O)cs1 306124836 CARBMIHRZCCRHW-KNQAVFIVSA-N 413.591 3.457 0 40 HGAB CC(C)CCNC(=O)c1nnc2n1CC1(CC2)CCN(Cc2ccc(F)cc2)CC1 306141848 WHZLDKKLLXKXSB-UHFFFAOYSA-N 413.541 3.422 0 40 HGAB CCOc1ccccc1NC(=O)[C@H](C)NS(=O)(=O)c1ccc(OC)c(Cl)c1 408557259 GBLMASUSASTDND-LBPRGKRZSA-N 412.895 3.053 0 40 HGAB CCOC(=O)c1ccccc1NC(=O)[C@H](C)N(c1cccc(Cl)c1)S(C)(=O)=O 408558454 RGWCSYXFLGWDJK-ZDUSSCGKSA-N 424.906 3.310 0 40 HGAB CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NC3CC3)c(Cl)c2)cc1 408636697 TUDXWTHDEHDPCD-UHFFFAOYSA-N 424.906 3.197 0 40 HGAB CCN(C)Cc1cccc(CNC(=O)Nc2cc(C(N)=O)ccc2-n2cc(C)cn2)c1 538248945 LPJVZCMDNGBPBR-UHFFFAOYSA-N 420.517 3.053 0 40 HGAB O=C(NC[C@@H](c1cccs1)n1cccn1)C(=O)Nc1ccc(OC(F)(F)F)cc1 575612657 BUPLWANNUHCVGR-AWEZNQCLSA-N 424.404 3.188 0 40 HGAB Cc1cccnc1Nc1cc(C[C@H]2CCCN(C(=O)/C=C/c3cnc[nH]3)C2)ncn1 585292280 ZSVOSDUUUKEDMN-DKRLNXSXSA-N 403.490 3.141 0 40 HGAB O=C(CN1CCCCCOc2ccccc2Oc2ncccc2C1)N1CCOCC1 643575113 BMALIEVZKXMMSW-UHFFFAOYSA-N 411.502 3.097 0 40 HGAB Cc1cnn(CC(=O)N2CCOCCOc3ccc(F)cc3Cc3cccc(c3)C2)c1 643581905 BWDGKKXOMMHJCA-UHFFFAOYSA-N 423.488 3.359 0 40 HGAB C[C@@H](NC(=O)c1cc(-c2c[nH]c3nccc-3c2)ccn1)c1noc(C(F)(F)F)n1 1638686172 FULMKIQUTUMBPE-SECBINFHSA-N 402.336 3.469 0 40 HGAB O=C(c1onc2c1CCCC2)N1C[C@@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@@H]2C1 1888854328 ZACXQMGUUKJOKA-BETUJISGSA-N 406.408 3.176 0 40 HGAB COc1cccc(OC)c1CN1CCO[C@]2(CCCCN(c3ccccc3)C2=O)C1 2037984020 NKMSMNGVSCEEBL-XMMPIXPASA-N 410.514 3.492 0 40 HGAB OCCN(CCO)c1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CCC3 2442307 PMOLWOZFRSGWEU-UHFFFAOYSA-N 406.511 3.186 0 40 HGAB Cc1cccc(-n2c(=O)c3cc4c(=O)n(-c5cccc(C)c5C)c(=O)c4cc3c2=O)c1C 828988 QSLMQZXEWWVFSE-UHFFFAOYSA-N 424.456 3.124 0 40 HGAB CCCn1c(SCC(=O)Nc2ccc(NC(C)=O)cc2)nnc1-c1ccccn1 1362617 PGUUTFWERIKMIU-UHFFFAOYSA-N 410.503 3.439 0 40 HGAB COc1ccc(NC(=O)CCCN2C(=O)c3ccccc3N3C(=O)CC[C@]23C)cc1 31872764 JWARTQPYNRBVGJ-HSZRJFAPSA-N 407.470 3.413 0 40 HGAB Cc1ccc(C)c(-c2cc3c(=O)n(CC(=O)N[C@H](C)c4ccc(F)cc4)ncn3n2)c1 51317108 MOIOQQYJKDKZDI-MRXNPFEDSA-N 419.460 3.191 0 40 HGAB Cc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3ccc(N4CCCCC4)cc3)C2=O)cc1 4297086 CQGAODMKAPZJTK-DEOSSOPVSA-N 420.513 3.391 0 40 HGAB CCCNC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(OC)c(Cl)c1 6274141 BYWSLNKBCXWYBO-UHFFFAOYSA-N 424.950 3.108 0 40 HGAB CN1CCN(c2ccc(NC(=O)c3ccccc3I)cc2)CC1 6287902 MFGURZCCYIRNOG-UHFFFAOYSA-N 421.282 3.295 0 40 HGAB CC(C)(C)c1ccc(C(=O)NCC(=O)OCC(=O)NCCC2=CCCCC2)cc1 7801580 RNPLEYLCTADHCV-UHFFFAOYSA-N 400.519 3.264 0 40 HGAB CC(=O)Nc1ccc(NC(=O)COC(=O)CCCC(=O)Nc2ccccc2C)cc1 8412629 WRGASZDPQPVLTQ-UHFFFAOYSA-N 411.458 3.244 0 40 HGAB O=C(CCCc1ncc(-c2ccccc2)o1)NCc1ccnc(N2CCOCC2)c1 32638180 ISOHYMLMQPFJIF-UHFFFAOYSA-N 406.486 3.212 0 40 HGAB Cn1ccnc1[C@H](NC(=O)CN1C(=O)CCOc2ccccc21)c1ccc(Cl)cc1 32772767 FNCSFVKWMYZGIQ-OAQYLSRUSA-N 424.888 3.095 0 40 HGAB CC(C)[C@@H](NC(=O)CCn1ncc(=O)c2ccccc21)c1ccc2c(c1)OCCO2 32820225 QUFQMCNLRNMVTQ-HSZRJFAPSA-N 407.470 3.071 0 40 HGAB Cc1nc(SCC(=O)Nc2ccc(Br)cc2F)sc1CC(N)=O 32860250 CPTVGVKLWOUKIR-UHFFFAOYSA-N 418.313 3.112 0 40 HGAB CCN1C[C@@H](CN(C)C(=O)NCCc2ccc(OC)c(OC)c2)Oc2ccccc21 32843779 MRUVEALYFOHVTH-GOSISDBHSA-N 413.518 3.175 0 40 HGAB O=C(NCC1(N2CCOCC2)CCCCC1)c1ccc(OC[C@H]2CCCO2)cc1 29992222 YABUQPVSBFVIRL-OAQYLSRUSA-N 402.535 3.009 0 40 HGAB CC(C)n1ncc2c(C(=O)N(C)CCN3CCOCC3)cc(-c3ccccc3)nc21 69463139 NLWOWISIAZYODQ-UHFFFAOYSA-N 407.518 3.083 0 40 HGAB O=C(NC1CC1)c1c(NC(=O)[C@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)O)sc2c1CCCC2 102635221 UNFDFCNSHHFYHV-MWDDYTRKSA-N 414.527 3.371 0 40 HGAB Cc1nn(Cn2ccc(C(=O)Nc3ccc(Br)cn3)n2)c(C)c1Cl 28230946 KRGVKCIULFHXAZ-UHFFFAOYSA-N 409.675 3.265 0 40 HGAB NC(=O)N[C@H](CC(=O)N1CCc2sccc2C1)c1cccc(Br)c1 22597263 WHLYVLZTPUJRET-CQSZACIVSA-N 408.321 3.195 0 40 HGAB C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3cccc(Cl)c3)cc2)C[C@H](C)O1 3183203 JBVQKDKVUSOXHH-KBPBESRZSA-N 408.907 3.390 0 40 HGAB CCOC(=O)N1CCC(NC(=O)[C@H](C)OC(=O)c2cc(Cl)cc(Cl)c2)CC1 42932364 NTXCVRXDSJIUHV-NSHDSACASA-N 417.289 3.276 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cc(F)ccc3F)CC2)cc1C 20016688 JQSYWTTVKXQEBZ-UHFFFAOYSA-N 424.469 3.321 0 40 HGAB CCCCNC(=O)CCc1nc2cc(S(=O)(=O)N3CCCC3)ccc2n1CCC 21874630 DCDJVLXIJRRPTO-UHFFFAOYSA-N 420.579 3.080 0 40 HGAB COc1ccc2sc(NC(=O)Cn3cnc4ccc(Cl)cc4c3=O)nc2c1 57520075 FRGFABDCMBHDBG-UHFFFAOYSA-N 400.847 3.307 0 40 HGAB COc1ccccc1CNC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1 3297461 CXZDWDRAIPKNDT-UHFFFAOYSA-N 402.516 3.190 0 40 HGAB CCCCCOc1ccc(/C=c2\sc3nc(-c4cccnc4)nn3c2=O)cc1OC 12601799 RAENRJWQXYWFRH-UYRXBGFRSA-N 422.510 3.338 0 40 HGAB Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)N3CCOCC3)c2)cc1C 12604823 AKYZKBWYHPTSJQ-UHFFFAOYSA-N 408.907 3.230 0 40 HGAB Cc1c(O[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)O)ccc2c3c(c(=O)oc12)CCCC3 2104378 GMCPAQUBAJWWSS-KSSFIOAISA-N 415.486 3.363 0 40 HGAB biogenic COC(=O)CNC(=O)Cc1ccc(NC(=O)N[C@H](C)c2cc3ccccc3o2)cc1 48158548 VQZOQTGKGUQEHD-CQSZACIVSA-N 409.442 3.147 0 40 HGAB CNC(=O)NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1 3399790 XQPGDBPWCLBAEW-UHFFFAOYSA-N 401.879 3.135 0 40 HGAB Cc1cc(C(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)c2cnn(C(C)C)c2n1 10968482 CZYPRJKTXKJJLE-CQSZACIVSA-N 400.504 3.215 0 40 HGAB CSc1ccc(CN(C)C(=O)c2cc(S(=O)(=O)NC3CC3)ccc2C)cc1 12774814 XAHCUYCJTJKWBH-UHFFFAOYSA-N 404.557 3.430 0 40 HGAB Cc1ccc(/C=C/C(=O)N2CCN(C(=O)c3ccco3)CC2)c(Br)c1 12779306 GNFFQNOYQQDNHA-VOTSOKGWSA-N 403.276 3.348 0 40 HGAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)CN2C(=O)CCOc3ccccc32)c1 12791616 KXMNDQZPPXSYBU-SFHVURJKSA-N 410.470 3.183 0 40 HGAB C[C@H](Oc1ccc(Br)cc1)C(=O)Nc1ccc(N2CCN(C)CC2)nc1 12747009 YIZHHEMHOQAJDG-AWEZNQCLSA-N 419.323 3.002 0 40 HGAB C[C@H]1CN(C(=O)c2cccc(S(=O)(=O)Nc3ccccc3Cl)c2)C[C@H](C)O1 12851059 XOPCLHJVZUKJRI-KBPBESRZSA-N 408.907 3.390 0 40 HGAB C[C@]12CCC(=O)N1[C@@H](C(=O)Nc1nc(SCc3ccccc3)ns1)CS2 3424693 SNKHHBRAYJEFRD-PXAZEXFGSA-N 406.558 3.223 0 40 HGAB COc1ccc(-c2csc(NC(=O)[C@@H]3CS[C@@]4(C)CCC(=O)N34)n2)cc1OC 23079062 CKWBXOPSALPQDJ-DJJJIMSYSA-N 419.528 3.220 0 40 HGAB CCCCn1c(SCC(=O)c2ccccc2)nc2cc(S(N)(=O)=O)ccc21 6143894 OZQCMBSPWWCORU-UHFFFAOYSA-N 403.529 3.459 0 40 HGAB COc1ccc(C(=O)NN2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)cc1 18255667 SZTYXYJBGHLXAC-MYNGYRLFSA-N 424.456 3.232 0 40 HGAB CCn1c(SCC(=O)N[C@@H](C)c2ccc(-n3cncn3)cc2)nnc1-c1ccco1 14114803 ONEYNQJXKWOVPP-AWEZNQCLSA-N 423.502 3.108 0 40 HGAB O=C(CSc1nnnn1Cc1cccs1)N1CCS[C@@H]1c1ccccc1F 14129143 SKUQTWPFGLSCJH-MRXNPFEDSA-N 421.548 3.288 0 40 HGAB C[C@]1(c2ccc3c(c2)OCCCO3)NC(=O)N(Cc2nc3ccccc3s2)C1=O 6589931 YORNSNKOXXWBPI-OAQYLSRUSA-N 409.467 3.425 0 40 HGAB COc1ccc(Cc2nc(P(=O)(OC)OC)c(NCc3cccnc3)o2)cc1 8846284 IXEKSQDTOAOGGY-UHFFFAOYSA-N 403.375 3.392 0 40 HGAB Cn1cc(-c2cnc3c(N4CCN(Cc5ccccc5Cl)CC4)nccn23)cn1 306135726 OYYYZGMICUCBBH-UHFFFAOYSA-N 407.909 3.105 0 40 HGAB CCCCn1c(=O)[nH]c(=O)c2c1nc(COC(=O)c1ccccc1)n2CCC(C)C 6653464 DZZYBVFJOBRZMY-UHFFFAOYSA-N 412.490 3.090 0 40 HGAB CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(Br)c(F)c2)C[C@H]1C(=O)O 14632537 VNKPQJNCRQHDIB-GWCFXTLKSA-N 404.232 3.430 0 40 HGAB in-vitro COc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)N3CCCCC3)c2)cc1OC 6835950 CYTKQUFFYMZKLV-UHFFFAOYSA-N 422.478 3.270 0 40 HGAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)c1ccc(C(C)C)cc1 6984035 XNCCZRXWAIIKSH-LJQANCHMSA-N 403.548 3.255 0 40 HGAB O=C(COC(=O)c1ccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1)Nc1ccc(F)cc1 408656232 IOYKEYJGAGLQDG-OALUTQOASA-N 422.412 3.077 0 40 HGAB O=C(Cn1ncn2nc(-c3cccc4ccccc34)cc2c1=O)Nc1ccc(F)cc1 67208436 NNIMZLKEKUETDQ-UHFFFAOYSA-N 413.412 3.489 0 40 HGAB Cc1cc(C(=O)OCC(=O)Nc2sccc2C(N)=O)c(C)n1Cc1ccccc1 7575155 QLMJZKDYFWLNKR-UHFFFAOYSA-N 411.483 3.109 0 40 HGAB Cn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc(N2CCCC2=O)cc1 7502032 MTUAVNPLXSJNPO-UHFFFAOYSA-N 421.526 3.264 0 40 HGAB Cc1ccc([C@@H]2[C@@H](NC(=O)c3ccc(F)cc3)C(=O)N/[N+]2=C\c2ccc(F)cc2)cc1 8396283 JVGTXDGBNVBUIS-MYPDDRRYSA-O 420.439 3.289 0 40 HGAB CCOCCc1nnc(NC(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)s1 9426658 SLEFHMCCXAXZEN-UHFFFAOYSA-N 422.938 3.261 0 40 HGAB CC(C)C[C@@H]1NC(=O)N(CC(=O)NCCC(c2ccccc2)c2ccccc2)C1=O 9537246 GFJWNQXILZWESH-NRFANRHFSA-N 407.514 3.291 0 40 HGAB O=C(NCC1([C@H](O)c2ccccc2)CC1)[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 89825934 LWBSKLMSPXABGZ-NFBKMPQASA-N 424.516 3.237 0 40 HGAB O=C(NC1(c2ccc(Br)cc2)CC1)[C@H]1CN(Cc2ccccc2)CCO1 72294646 DGYBLYHWXUBKOE-LJQANCHMSA-N 415.331 3.455 0 40 HGAB COc1ccc(-c2noc(COC(=O)[C@@H]3CCc4[nH]nc(C(F)(F)F)c4C3)n2)cc1 95466477 LFUOZKYOYOCJKH-LLVKDONJSA-N 422.363 3.335 0 40 HGAB CCOC(=O)c1sc(N(Cc2ccccc2)C(=O)COC(=O)[C@@H]2C[C@@H]2C)nc1C 23514810 QDGWGYDAENGDOE-XJKSGUPXSA-N 416.499 3.361 0 40 HGAB CCOc1ccc(Oc2ccc(NC(=S)NCCN3CCOCC3)cc2)cc1 20921879 VOMCYOCMLCRAGK-UHFFFAOYSA-N 401.532 3.496 0 40 HGAB CCOc1ccc([C@@H](C)NC(=O)CN(c2ccc(OCC)cc2)S(C)(=O)=O)cc1 20104919 BSKJHWRRTFZSLR-MRXNPFEDSA-N 420.531 3.127 0 40 HGAB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NCCC(C)C)c1ccccc1 409390949 YURWJJOPOWGREI-UHFFFAOYSA-N 404.532 3.361 0 40 HGAB COc1cc2c(cc1OC)[C@H](CC(=O)O)N(C(=O)c1cccc3ncccc13)CC2 554286769 SGEJJVNHYHTPEA-IBGZPJMESA-N 406.438 3.466 0 40 HGAB Cc1cc(C)n2ncc(C(=O)N(C)CC(=O)Nc3ccc(Cl)c(Cl)c3)c2n1 32761016 JXOOBDSMVOWBJK-UHFFFAOYSA-N 406.273 3.364 0 40 HGAB O=C(Nc1ccccc1C(=O)N1CCCCC1)c1ccc(CN2CCOCC2)cc1 408562661 DZFJXCBPFCSEMQ-UHFFFAOYSA-N 407.514 3.397 0 40 HGAB Cc1ncsc1C(=O)N[C@@H]1CCCC[C@@]12CN(Cc1ccc(O)c(F)c1)CCO2 306142698 XGPAYDPXDQCLND-WIYYLYMNSA-N 419.522 3.240 0 40 HGAB COc1ccc(CN2CCCN(C(=O)c3ccc(N4CCCC4=O)cc3)CC2)cc1 32879992 XZGUJOLNZQDZNH-UHFFFAOYSA-N 407.514 3.170 0 40 HGAB COc1ccc(-n2nc(C)c3c(C(=O)NCCCn4nccc4C)cc(C)nc32)cc1 36616686 BSLKYXPWEYVWDW-UHFFFAOYSA-N 418.501 3.371 0 40 HGAB CC(C)c1nc(S(=O)(=O)NC[C@@H](O)c2ccc(-c3ccsc3)s2)cn1C 675008397 VWWOMQFLWXRUJS-CYBMUJFWSA-N 411.574 3.345 0 40 HGAB Cn1cnc(S(=O)(=O)N2CCC[C@H](c3cccc(Cc4ccccc4F)n3)C2)c1 72350337 METUIAQDNSSYEI-KRWDZBQOSA-N 414.506 3.113 0 40 HGAB COc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(OC(C)C)cc2)cc1Cl 224969551 KJFBZHXASPEWQK-UHFFFAOYSA-N 413.879 3.416 0 40 HGAB CC[C@H](C(=O)NCCc1ccc(OC)cc1)N(c1cc(C)ccc1C)S(C)(=O)=O 220535941 LOJPQHDERRTEPK-HXUWFJFHSA-N 418.559 3.216 0 40 HGAB CCOc1cccc(CN(C)S(=O)(=O)c2ccc(OC)c(C(=O)NC(C)C)c2)c1 223882261 QGKBJFDTUGUFKU-UHFFFAOYSA-N 420.531 3.053 0 40 HGAB Cc1c(C(=O)N2CCN(CCC(C)C)CC2)sc2nc3n(c(=O)c12)CCCCC3 40158047 IYCQIDCPVQBZFC-UHFFFAOYSA-N 416.591 3.297 0 40 HGAB CC[C@@H](C(=O)NCCOc1cc(C)cc(C)c1)N(c1cccc(C)c1)S(C)(=O)=O 224101152 ZLNJFSAYEDCYSL-NRFANRHFSA-N 418.559 3.352 0 40 HGAB Cn1c(=O)sc2cc(S(=O)(=O)NCCOc3cccc4ccccc34)ccc21 223579434 ZJOOGVNVWDPOCW-UHFFFAOYSA-N 414.508 3.111 0 40 HGAB Cc1cccc(CS(=O)(=O)NCc2nc(-c3cccc(Br)c3)no2)c1 223640218 DOVIMVBCOKDYCL-UHFFFAOYSA-N 422.304 3.427 0 40 HGAB CCn1c(=O)n(CC(=O)N[C@@H](C)Cc2ccc(Br)cc2)c2ccccc21 48290823 JKCZMBOYCBPDKU-AWEZNQCLSA-N 416.319 3.333 0 40 HGAB Cc1ccc2c(c1)[C@H](NC(=O)c1cccc(S(=O)(=O)N(C)C)c1)CC(C)(C)O2 225423623 DTFYLOQBBVVSOY-GOSISDBHSA-N 402.516 3.278 0 40 HGAB CCCS(=O)(=O)N1CCC2(CC1)C[C@@H](CC(=O)NCC1CC1)c1ccccc12 96242006 SXDPOPGBBPDYQH-GOSISDBHSA-N 404.576 3.164 0 40 HGAB Cc1cccc(NC(=O)c2c3c(N4CCN(C)CC4)ncnc3n3ccccc23)c1 96146737 DKZNXIANWVHZEN-UHFFFAOYSA-N 400.486 3.195 0 40 HGAB CN1CCN(C(=O)C[C@H]2CC3(CCN(Cc4ccoc4)CC3)c3ccccc32)CC1 96052926 UUIFXWNEIAITLX-NRFANRHFSA-N 407.558 3.465 0 40 HGAB CCOC[C@]1(CN)[C@H](c2ccc(Br)cc2)[C@H]1S(=O)(=O)c1ccccc1 242592419 OTWBSRSMBMOJHH-GUDVDZBRSA-N 424.360 3.370 0 40 HGAB CC(C)(C)OC(=O)N1[C@@H](CNC(=O)CC2CCOCC2)C[C@@]2(C)[C@@H](O)CCCC[C@@H]12 257321191 WANRZECOLMIDAM-CROMWVBPSA-N 424.582 3.239 0 40 HGAB O=C(O)Cn1cc(CN2CCC[C@@H](c3nccnc3-c3ncc[nH]3)C2)c2ccccc21 257334162 YEUJDXXPWOSQNG-MRXNPFEDSA-N 416.485 3.286 0 40 HGAB CO[C@H]1CN(CC(=O)Nc2ccc(OCc3ccccc3)cc2)CC[C@@]12CCCO2 257325898 WUXSBSRMGCLFMR-UPVQGACJSA-N 410.514 3.474 0 40 HGAB COc1ccc(OC)c(N([C@@H](C)C(=O)N[C@H](C)c2ccc(C)cc2)S(C)(=O)=O)c1 260588276 HVUXYQNQOWKDSN-CVEARBPZSA-N 420.531 3.044 0 40 HGAB CC[C@@H](Cc1ccc(F)cc1)NS(=O)(=O)C1CN(C(=O)OCc2ccccc2)C1 1655983574 PSDKBTSPJHAZBG-IBGZPJMESA-N 420.506 3.087 0 40 HGAB CC(C)(C)OC(=O)N1CC(n2cnc3c(Sc4ccc(CO)cc4)ncnc32)C1 1162900774 YLJUIDJPUCHEOW-UHFFFAOYSA-N 413.503 3.262 0 40 HGAB CCOC(=O)c1cnc(SCC(=O)Nc2cc(Cl)ccc2Cl)nc1N 5969532 BIELEQAALLMKKY-UHFFFAOYSA-N 401.275 3.273 0 40 HGAB COCCNC(=O)CSc1nc2sc(C)c(C)c2c(=O)n1-c1cccc(C)c1 11515587 NCIZSZARNZBPFG-UHFFFAOYSA-N 417.556 3.227 0 40 HGAB O=C1N[C@]2(CC[C@@H]3CN(Cc4cc5c(cc4Cl)OCO5)C[C@@H]32)Nc2ccccc21 12086060 XAZNYOLONYIPKZ-DHZVRSILSA-N 411.889 3.462 0 40 HGAB COc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N3C[C@@H](C)O[C@H](C)C3)c2)cc1 12525931 INXPVAWIXOVMLZ-HZPDHXFCSA-N 418.515 3.054 0 40 HGAB CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)NCCOc1ccccc1 12903999 ZVWGMBLKCLJJEL-SFHVURJKSA-N 406.935 3.387 0 40 HGAB COc1ccc2[nH]cc([C@@H]3C(NC(=O)c4ccccc4)=C(C)N=C4NC=NN43)c2c1 13551884 LASUKLZTKBZUCY-HXUWFJFHSA-N 400.442 3.097 0 40 HGAB COc1ccc(F)cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccccc2F)C1 13580641 XAROQYUSKBOHRS-CYBMUJFWSA-N 410.442 3.013 0 40 HGAB Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)N3CCN(C)CC3)ccc2Cl)c1 14153362 DPJXWXVHAIDVBQ-UHFFFAOYSA-N 421.950 3.145 0 40 HGAB CCOc1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 15582201 HXRWVGVPJXISGR-OAHLLOKOSA-N 406.479 3.264 0 40 HGAB Cn1c(SCC(=O)NCCc2ccccc2)nc2c(-c3ccccc3)c[nH]c2c1=O 16841354 YUBQESDQSRPZBO-UHFFFAOYSA-N 418.522 3.380 0 40 HGAB CNS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(C)cc2Br)cc1 19174132 FNGBKCKSQCUOBW-UHFFFAOYSA-N 411.321 3.237 0 40 HGAB O=C(CN1CCCCC1)N1CCO[C@H](c2nc(-c3cccc(C(F)(F)F)c3)no2)C1 19293334 JYBASJHBUHWNAU-INIZCTEOSA-N 424.423 3.141 0 40 HGAB CC(C)NC(=O)[C@@]1(Cc2cccc(-c3ccncc3)c2)CCN(C(=O)c2cc[nH]n2)C1 19449356 BUMHPYAEVSKURT-XMMPIXPASA-N 417.513 3.071 0 40 HGAB CCn1cc(S(=O)(=O)N2CCC[C@@H]2c2nnc(-c3nccc4ccccc34)o2)cn1 19525043 ROBDPVXOPXQZKM-QGZVFWFLSA-N 424.486 3.027 0 40 HGAB CCCc1cc(C(=O)N2CCC[C@@H]2c2nc(N(C)C)ncc2-c2cc(C)no2)no1 19525321 MEEUMSKKDYKBMJ-QGZVFWFLSA-N 410.478 3.424 0 40 HGAB COc1ccc(-n2ncc(C(=O)[C@H]3CCCN(C(=O)c4ccccc4)C3)c2N)cc1 19558690 DIRJXORAWUWUGD-KRWDZBQOSA-N 404.470 3.198 0 40 HGAB COc1ccc(Cc2nnc(NC(=O)Cc3sc(C)nc3C)s2)cc1OC 19560559 IOYVCJVEIRITIV-UHFFFAOYSA-N 404.517 3.401 0 40 HGAB COCC(=O)N1CCC[C@](Cc2ccc(-c3cccs3)cc2)(C(=O)N(C)C)C1 19579109 DAPLSQUNZFZIIV-JOCHJYFZSA-N 400.544 3.301 0 40 HGAB CN(C)c1cc(C2CCN(C(=O)Cc3ccccc3F)CC2)nc(-c2cnccn2)n1 19584718 FAXZWYGWRCOENY-UHFFFAOYSA-N 420.492 3.087 0 40 HGAB CN(C)[C@H](C(=O)Nc1ccc2c(c1)N(S(C)(=O)=O)CCC2)c1ccc(Cl)cc1 19664596 IZTUQOTURTVGAA-IBGZPJMESA-N 421.950 3.294 0 40 HGAB COc1ccc2[nH]c3c(c2c1)CCN1C(=O)c2cnc(N4CCCCC4)nc2C[C@@H]31 19960757 IDLDYDJXXUHQBI-FQEVSTJZSA-N 403.486 3.253 0 40 HGAB CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)Nc2ccccc2C(C)(C)C)cc1 9155004 ASYOXOJXWGVUDC-UHFFFAOYSA-N 417.531 3.250 0 40 HGAB CNS(=O)(=O)c1ccc(C(=O)NCCc2ccc(-c3csc(C)n3)s2)cc1 12397188 ZEHBMFNSNLQVQG-UHFFFAOYSA-N 421.569 3.061 0 40 HGAB O=C(OCc1ccccc1)N1CCN(c2cc(-c3ccccc3)nc3ncnn23)CC1 23444134 LHKPZQCRTJSJBZ-UHFFFAOYSA-N 414.469 3.250 0 40 HGAB CCCN1C(=O)CCc2cc(NS(=O)(=O)c3ccc(OC)cc3OC)ccc21 8840569 AVNXYJLFCFCQPB-UHFFFAOYSA-N 404.488 3.194 0 40 HGAB CCCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N(CC)CCO3)cc1C 8961642 QMJFHAGBZLQJGB-UHFFFAOYSA-N 418.515 3.439 0 40 HGAB COc1ccc(-c2nnc3ccc(OCCNC(=O)c4ccc(C)c(C)c4)nn23)cc1 11693883 IBRZLBWMHPHZDB-UHFFFAOYSA-N 417.469 3.226 0 40 HGAB O=c1oc2ccc(Br)cc2cc1S(=O)(=O)N1CCc2ccccc2C1 15862224 XDNHHEYWHFVLQD-UHFFFAOYSA-N 420.284 3.303 0 40 HGAB Cc1nc2sc([C@H](c3cccc(Br)c3)N3CCC(O)CC3)c(O)n2n1 22627601 WUBUQECRZWESAL-AWEZNQCLSA-N 423.336 3.113 0 40 HGAB O=c1c2c3c(sc2n2nnnc2n1-c1ccccc1)CN(Cc1ccccc1)CC3 20130077 ZATSMHHJMIEHMD-UHFFFAOYSA-N 414.494 3.048 0 40 HGAB COc1ccccc1N(C[C@@H](O)COc1ccccc1)S(=O)(=O)c1ccccc1 2483270 GLFLSKOPBIHZOT-GOSISDBHSA-N 413.495 3.330 0 40 HGAB C[C@H](OC(=O)CCC(=O)c1cccs1)C(=O)Nc1ccc(N2CCOCC2)cc1 2641047 QCBNMDBJIITZAM-HNNXBMFYSA-N 416.499 3.118 0 40 HGAB Cc1c(NC(=S)NC(=O)c2ccc(Cl)cc2)c(=O)n(-c2ccccc2)n1C 2726949 CTXIVQGCXFTTEO-UHFFFAOYSA-N 400.891 3.265 0 40 HGAB COC(=O)c1ccc2nc(NC(=O)c3cc(OC)c(OC)c(OC)c3)sc2c1 3193050 BLBOKXHGGXGOAA-UHFFFAOYSA-N 402.428 3.361 0 40 HGAB O=C(Nc1nnc(-c2ccccc2)o1)c1ccc2c(=O)n3c(nc2c1)CCCCC3 3314293 NYSOTZMYJRXGII-UHFFFAOYSA-N 401.426 3.425 0 40 HGAB CCOC(=O)Cc1csc(S[C@H](C)C(=O)Nc2ccc(NC(C)=O)cc2)n1 3333566 YWGOFHSHGDFTFY-LLVKDONJSA-N 407.517 3.326 0 40 HGAB CCOc1ccccc1N1C[C@@H](C(=O)Oc2ccc3c(C)cc(=O)oc3c2)CC1=O 3349159 GKTQCQZAYNTGPX-HNNXBMFYSA-N 407.422 3.459 0 40 HGAB Cc1ccc2nc(SCC(=O)Nc3ccc(OC(F)(F)F)cc3)nc(=O)n2c1 4503621 GGKIVKRBNASEQC-UHFFFAOYSA-N 410.377 3.027 0 40 HGAB CC1(C)CC(=O)c2sc(NC(=O)[C@H]3CC(=O)N(c4ccc(F)cc4)C3)nc2C1 4511084 ZYHNDMZZDJYOEM-NSHDSACASA-N 401.463 3.429 0 40 HGAB COc1ccc([C@@H]2CC(=O)N(c3ccc(F)cc3)C3=C2C(=O)OC3)c(OC)c1OC 4519964 XFLGDZMSHUBGKH-HNNXBMFYSA-N 413.401 3.183 0 40 HGAB Cn1cc([C@@H]2c3ccccc3C(=O)N2CC(=O)NCc2ccccn2)c2ccccc21 4734517 GWKZPHPNJZTIOU-DEOSSOPVSA-N 410.477 3.435 0 40 HGAB Cc1ccc2[nH]c(=O)c(CN(Cc3nnnn3Cc3ccco3)C3CCCC3)cc2c1 4847546 YCKYQJNZUXRPAG-UHFFFAOYSA-N 418.501 3.409 0 40 HGAB COc1ccc2nc(NC(=O)[C@@H]3CC(=O)N(CCc4ccc(F)cc4)C3)sc2c1 4976132 CMANEKSDQZLXTC-CQSZACIVSA-N 413.474 3.474 0 40 HGAB Cc1cn2c3c(=O)n(CCCc4ccccc4)c(=O)n(C)c3nc2n1C1CCCC1 5252172 CZBVPAFBWZLPBR-UHFFFAOYSA-N 405.502 3.206 0 40 HGAB CCOc1ccc(-c2nnc(SCC(=O)Nc3cc(C(C)(C)C)no3)n2N)cc1 5349712 UFHCWWJNAIHCED-UHFFFAOYSA-N 416.507 3.074 0 40 HGAB Cc1ccc(NC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1Cl 5560336 GXXNPHSYNOSTEZ-UHFFFAOYSA-N 422.934 3.241 0 40 HGAB CCO[C@@H]1C[C@@H](n2cnc3c(Nc4ccc(Cl)cc4)nc(C)nc32)[C@H](O)CO1 5812290 OEEHBHGFJYAGQG-OAGGEKHMSA-N 403.870 3.217 0 40 HGAB CC(C)CCNC(=O)CCc1ccc(S(=O)(=O)NCCc2ccccc2)cc1 6325634 ZFCWLQPORXZYRP-UHFFFAOYSA-N 402.560 3.303 0 40 HGAB C[C@H](CCc1ccccc1)NC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1 6654426 DGOSJBYPTVHTRF-MRXNPFEDSA-N 406.573 3.286 0 40 HGAB Cc1cc(NC(=O)c2cc(S(=O)(=O)N(C)CCc3ccccc3)cs2)no1 6681029 JAKGMOBEHYSJLK-UHFFFAOYSA-N 405.501 3.160 0 40 HGAB C[C@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)NCCCc2ccccc2)C1=O 6784333 UIHJZRXDCMMLSC-RUZDIDTESA-N 415.493 3.356 0 40 HGAB O=C(CCc1nc(-c2ccc(F)cc2)no1)NCc1ccc(N2CCCC2=O)cc1 7491837 XAPJBNYGIMUOBH-UHFFFAOYSA-N 408.433 3.252 0 40 HGAB CCc1ccccc1NC(=O)CCC(=O)OCC(=O)Nc1ccc(NC(C)=O)cc1 7939835 SCNQLWXKFGXFFZ-UHFFFAOYSA-N 411.458 3.108 0 40 HGAB CC(=O)c1ccc(O[C@@H](C)C(=O)OCc2nc(N)nc(Nc3ccccc3C)n2)cc1 8390603 IXYLHOIRXIWNLC-HNNXBMFYSA-N 421.457 3.219 0 40 HGAB COC(=O)C1=C(C)N=c2s/c(=C/C=C/c3ccccc3)c(=O)n2[C@@H]1c1cccs1 8809369 DOXFZFMZOSOEDP-LFXZHUCZSA-N 422.531 3.135 0 40 HGAB O=C1S/C(=C\c2cccc(F)c2)C(=O)N1CCC(=O)N1CCCC[C@@H]1CCO 9252971 PKDPXOQBAXLAQU-UDLNKVAWSA-N 406.479 3.016 0 40 HGAB C[C@H](Sc1nc(C2CC2)n(-c2ccccc2)n1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 9257352 GFBXAVRUWMWQQD-LBPRGKRZSA-N 420.498 3.434 0 40 HGAB Cc1ccc(C(=O)n2nc(C)c(S(=O)(=O)N3CCc4ccccc4C3)c2C)cc1 9569697 NZMVGSUSGITZBN-UHFFFAOYSA-N 409.511 3.244 0 40 HGAB COc1cccc(NC(=O)Cc2csc(NS(=O)(=O)c3ccc(C)cc3)n2)c1 9828586 JKFDZOKDYFZZQH-UHFFFAOYSA-N 417.512 3.442 0 40 HGAB COc1ccc(F)cc1S(=O)(=O)N1CCC(C(=O)Nc2cc(C)ccc2C)CC1 10302902 QAOPVDRHIOHPQZ-UHFFFAOYSA-N 420.506 3.491 0 40 HGAB COc1cccc(-c2ccc(=O)n(CCCC(=O)Nc3ccc(OC)cc3OC)n2)c1 11693324 AVMBMAXWSDDPLF-UHFFFAOYSA-N 423.469 3.355 0 40 HGAB Cc1nn(CC(=O)Nc2ccccc2Br)c(=O)c2cc3sccc3n12 12115219 XNJIOEXXAMPYGS-UHFFFAOYSA-N 417.288 3.420 0 40 HGAB Nc1cc(-c2cccs2)nn(CC(=O)NC(c2ccccc2)c2ccccc2)c1=O 12146732 PYJMEVVLIKPHGO-UHFFFAOYSA-N 416.506 3.460 0 40 HGAB COc1ccc(S(=O)(=O)CC(=O)N[C@H](Cc2ccsc2)c2nccs2)cc1 12227050 JJQNCAYQFZVCMK-MRXNPFEDSA-N 422.553 3.087 0 40 HGAB COCC(=O)Nc1c(S(=O)(=O)c2ccc(OC)cc2)c(C)c(C)n1CC(C)C 12321550 LXNBFUMRTXXQSZ-UHFFFAOYSA-N 408.520 3.187 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)c2cccc(C)n2)c1 12539099 ZFAWAUSHIVEFDT-UHFFFAOYSA-N 416.547 3.273 0 40 HGAB CCC(C)(C)n1nnnc1[C@@H](c1cc2ccc(OC)cc2[nH]c1=O)N1CCC[C@@H](C)C1 12712711 NRXFMFVUBVTOIA-FOIQADDNSA-N 424.549 3.490 0 40 HGAB COc1ccc([C@H](CNC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)N2CCCC2)cc1 12754321 UBOBNMYEBPJCJE-REWPJTCUSA-N 421.541 3.310 0 40 HGAB COCCOc1ccc(C(F)(F)F)cc1NC(=O)CCc1c(C)nc(C)[nH]c1=O 12776860 HUQZOASSCPVKSM-UHFFFAOYSA-N 413.396 3.002 0 40 HGAB O=C(Cc1csc(NC(=O)c2ccccc2)n1)NCc1cnn(-c2ccccc2)c1 12899011 VRFXBDDQCDYJGI-UHFFFAOYSA-N 417.494 3.440 0 40 HGAB Cc1noc2nc(-c3ccccc3)cc(C(=O)NC3CCN(C(=O)C4CC4)CC3)c12 12902693 POQRKDJWSRLUSN-UHFFFAOYSA-N 404.470 3.329 0 40 HGAB C[C@H](OC(=O)[C@]12CCC(=O)N1c1ccccc1S2)C(=O)Nc1ccccc1F 12917388 IXHICODXETYHDD-FKIZINRSSA-N 400.431 3.325 0 40 HGAB O=C(NCCOc1ccc2nnc(-c3cccc(F)c3)n2n1)c1ccccc1Cl 13524881 ODTUHWIUORJCMF-UHFFFAOYSA-N 411.824 3.393 0 40 HGAB CC[C@]1(C)NC(=O)N(CC(=O)N2N=C(c3cccs3)C[C@@H]2c2cccs2)C1=O 14067864 VAJROAJVRFRKNB-YJYMSZOUSA-N 416.528 3.208 0 40 HGAB Cc1ccc(S(=O)(=O)NCCC(=O)Nc2ccc(CN3CCCC3)cc2)c(C)c1 14095058 QRXKRTHDQXAVOF-UHFFFAOYSA-N 415.559 3.206 0 40 HGAB CCOC(=O)c1cc(NC(=O)c2cnn(-c3ccccc3)c2)cc(C(=O)OCC)c1 14889515 ZLGOPWPOPZUHDS-UHFFFAOYSA-N 407.426 3.478 0 40 HGAB CCS(=O)(=O)N1CCCc2ccc(NC(=O)c3cc4ccccc4oc3=O)cc21 15781318 QGXJKBWGKRTQJM-UHFFFAOYSA-N 412.467 3.148 0 40 HGAB COc1ccc(S(=O)(=O)NCCc2csc3nc(-c4cccs4)nn23)cc1 15783839 NWMSCKFAHCYNIV-UHFFFAOYSA-N 420.541 3.049 0 40 HGAB CCOC(=O)[C@@H]1C(=O)[C@H](C(=O)OCC)[C@@H](c2ccccc2)N(C)[C@H]1c1ccccc1 16990720 SMOICQRJIQLAGP-FXELSEDVSA-N 409.482 3.342 0 40 HGAB COc1cccc(CC(=O)N2CCC[C@@H](c3ccc(-c4cnc(N)nc4)cn3)C2)c1 19688763 RIEDOLIXCJYVJT-GOSISDBHSA-N 403.486 3.078 0 40 HGAB COc1ccc(-c2cnc(N(C)C)nc2C2CCN(C(=O)CN3CCCC3)CC2)cc1 19695096 BHUOIJDYRVCIMN-UHFFFAOYSA-N 423.561 3.020 0 40 HGAB Cc1nc([C@@H]2CCCN(C(=O)c3cc[nH]n3)C2)nc2c1CCCN2Cc1ccccc1 19707882 BPAICVHEFSCZOZ-LJQANCHMSA-N 416.529 3.481 0 40 HGAB CCOc1ccc([C@@H]2CCCN2CC(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)cc1 19715509 KBYNGFUTQISJQC-IBGZPJMESA-N 408.502 3.051 0 40 HGAB O=C(NC[C@H](c1ccc(Cl)cc1)N1CCOCC1)c1cc2ccccc2oc1=O 19901856 DENGBDIENMQWFV-LJQANCHMSA-N 412.873 3.250 0 40 HGAB CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)N2CCN(C)CC2)[C@@H]1c1cccs1 20508290 RKGILORZWVCPSG-SFTDATJTSA-N 411.571 3.459 0 40 HGAB C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)N1CCN(C[C@@H]2CCCO2)CC1 22056401 NHDGPRQUKLTQJY-REWPJTCUSA-N 407.558 3.077 0 40 HGAB COc1ccc(Cl)cc1C(=O)NCCc1ccc(S(=O)(=O)NC(C)C)cc1 22227102 GWODLUADLDJGRE-UHFFFAOYSA-N 410.923 3.008 0 40 HGAB CCOc1ccc(CCCNC(=O)CN(c2cc(C)ccc2C)S(C)(=O)=O)cc1 22328818 YLBXDDRFVYNCGF-UHFFFAOYSA-N 418.559 3.217 0 40 HGAB Cc1ccc(C(=O)CCC(=O)N2CCN(Cc3ccc4c(c3)OCCO4)CC2)cc1C 23787256 MCSATABMEDWNDU-UHFFFAOYSA-N 422.525 3.382 0 40 HGAB Cc1nn(-c2ccccc2)c2sc(C(=O)N3CCN(C[C@@H]4CCCO4)CC3)cc12 23907987 XFRDRJIZUXJOCG-SFHVURJKSA-N 410.543 3.332 0 40 HGAB CCOC(=O)c1cnn(-c2ccc(C(=O)NCCN(C(C)C)C(C)C)cc2)c1C 24823714 PJMUQRGLYAGZND-UHFFFAOYSA-N 400.523 3.206 0 40 HGAB O=C(Cn1ncc2ccccc2c1=O)N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1 28997096 AOXQBLGCHSVOGT-QFIPXVFZSA-N 423.476 3.373 0 40 HGAB O=C(NC1CCCCCC1)[C@@H]1CCCN(c2ccc3nnc(C(F)(F)F)n3n2)C1 32088445 NEUVEGGNVAYOGA-CYBMUJFWSA-N 410.444 3.199 0 40 HGAB O=C(NCCc1nc(-c2ccccc2)no1)c1cc(-c2ccc3c(c2)OCCO3)on1 32593864 YAPBULHRENYBJF-UHFFFAOYSA-N 418.409 3.135 0 40 HGAB Cc1ccc(N2C(SCCOc3ccccc3)=N[C@H]3CS(=O)(=O)C[C@H]32)cc1 32640649 VRBIWHJVJRHGOH-RBUKOAKNSA-N 402.541 3.149 0 40 HGAB Cc1ccc(C)c(N2N=C(C(=O)O[C@H](C)C(=O)N[C@@H]3CCCC[C@@H]3C)CCC2=O)c1 32670060 GSGVHHVLWDPDBS-CGTJXYLNSA-N 413.518 3.413 0 40 HGAB O=C(Nc1ccccc1N1CCCCCC1)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1 32908522 RAIVYVIDERTGLC-UHFFFAOYSA-N 419.485 3.052 0 40 HGAB Cc1ccc(Cl)cc1N1CCN(S(=O)(=O)c2c(C)nn(C(F)F)c2C)CC1 36614773 XGPYLBDXORJLLE-UHFFFAOYSA-N 418.897 3.368 0 40 HGAB COc1cc(/C=C2\SC(=N)N(c3ccc4c(c3)OCO4)C2=O)cc(OC)c1OC 38206368 ORCIXLQAJGXJFL-BZHUWPAPSA-N 414.439 3.497 0 40 HGAB CCn1c(=O)c2ccccc2n(Cc2nc(-c3ccc(OC(C)C)cc3)no2)c1=O 38652662 OPJMEKSXVYIPFO-UHFFFAOYSA-N 406.442 3.069 0 40 HGAB COc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccc(F)c(Cl)c3)n2)cc1OC 38790870 MTJSHDYDROSSCC-UHFFFAOYSA-N 417.824 3.359 0 40 HGAB COc1cc(CNC(=O)[C@@H]2CCCN(c3cnccn3)C2)ccc1OCCC(C)C 40112714 LGICPLFXCLIOAE-LJQANCHMSA-N 412.534 3.443 0 40 HGAB COc1cccc(C(=O)NC2CCN(C(=O)c3ccc(N4CCC(C)=N4)cc3)CC2)c1 40134188 GFFWGEHZXSIGSC-UHFFFAOYSA-N 420.513 3.316 0 40 HGAB COc1ccc(C(C)=O)cc1CS(=O)(=O)c1nnc2c(Cl)cc(Cl)cn12 40152195 VOTMLWREGJBSNJ-UHFFFAOYSA-N 414.270 3.221 0 40 HGAB CN(c1ccccc1)S(=O)(=O)c1nnc(NC(=O)/C=C/c2ccccc2)s1 41085470 FFVKLRNYVYEISJ-OUKQBFOZSA-N 400.485 3.015 0 40 HGAB Cc1cc(C(=O)Nc2nnc(SCC(=O)NCc3ccccc3Cl)s2)no1 42379184 HGMASZIHXQRPOM-UHFFFAOYSA-N 423.907 3.149 0 40 HGAB C[C@H]1Oc2ccccc2N(CCC(=O)NCc2cccc(Br)c2)C1=O 45173490 DCSMFMKUSSEUOH-CYBMUJFWSA-N 403.276 3.270 0 40 HGAB C[C@H](Cc1cccc(Cl)c1)NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccccc1 48363126 SDBFDDUQBPQVIE-DNVCBOLYSA-N 406.935 3.241 0 40 HGAB Cc1ccc2c(=O)c(C(=O)Nc3ccccc3)cn(CC(=O)NC3CCCCC3)c2n1 49002025 MEMMUGUDRBPTAX-UHFFFAOYSA-N 418.497 3.406 0 40 HGAB CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)N1CCN(c2ccccc2F)CC1 57670932 TWGLXDUVTWQMPE-FQEVSTJZSA-N 410.497 3.142 0 40 HGAB COc1cc(OC)c2[nH]c(C(=O)O[C@@H](C)C(=O)Nc3ccc4c(c3)OCO4)cc2c1 58154503 QYAYHPVEZROJPS-NSHDSACASA-N 412.398 3.098 0 40 HGAB O=C(Nc1ccc(OC[C@@H]2CCCO2)cc1)N(C[C@@H]1CCCO1)C[C@@H]1CCCO1 58202316 SIERRZVIFIMSEX-ACRUOGEOSA-N 404.507 3.436 0 40 HGAB Cc1ccc([C@H](OC[C@@H](O)Cn2nc(C)c3c(C)onc3c2=O)c2ccccc2)cc1 60358264 CAYVIHOYTPZRCY-NZQKXSOJSA-N 419.481 3.477 0 40 HGAB CCCN1CCc2nc(SCC(=O)Nc3ccc(F)cc3Cl)nc(O)c2C1 67291904 CIEFVDNCKSODGF-UHFFFAOYSA-N 410.902 3.474 0 40 HGAB O=C1N[C@@]2(COC3(CCN(CC4=Cc5ccccc5OC4)CC3)C2)Nc2ccccc21 72325448 SGJGSQYOISOLHA-VWLOTQADSA-N 417.509 3.269 0 40 HGAB Cc1c(CN2CCC([C@@H]3Nc4ccccc4S(=O)(=O)N3)CC2)c2ccccc2n1C 72338964 UCDPEJKCAMFMOJ-HSZRJFAPSA-N 424.570 3.429 0 40 HGAB N[C@H](C(=O)NCC1CCC(c2ccnc(Nc3cncnc3)n2)CC1)c1ccccc1 72379938 DDQOCAOLNDFPTE-BPZDKFOGSA-N 417.517 3.100 0 40 HGAB CC(C)c1nc([C@@H](C)Nc2ccc(S(C)(=O)=O)cc2S(C)(=O)=O)cs1 84630954 MOLLIPOGZNESGE-LLVKDONJSA-N 402.563 3.247 0 40 HGAB CN(CCCNS(=O)(=O)c1csc(-c2ccc(F)cc2)n1)CC(F)(F)F 95402538 QJXCJEXIOIULJX-UHFFFAOYSA-N 411.446 3.112 0 40 HGAB Cn1cc(N2CCN(CCSc3ccnc4cc(Cl)ccc34)CC2=O)cn1 95454779 BNOSDNSHCUMGKF-UHFFFAOYSA-N 401.923 3.063 0 40 HGAB CC(C)CCn1ccc2c(NC(=O)CCCN3C(=O)c4nccnc4C3=O)cccc21 95478227 QSDPCJZKSWFSML-UHFFFAOYSA-N 419.485 3.492 0 40 HGAB Cc1nc(N2CCOCC2)nc(C)c1NS(=O)(=O)c1cc(Cl)ccc1Cl 96098626 NWSUVKDWTGSZAT-UHFFFAOYSA-N 417.318 3.038 0 40 HGAB Cc1ccc(CN2CCC3(CC2)O[C@@H](C(=O)N2CCCC2)Cn2ccnc23)cc1C 96243697 SHGDJBWWWZPDFK-OAQYLSRUSA-N 408.546 3.012 0 40 HGAB O=C(Nc1nc2c(s1)CN(CC(=O)N1CCc3ccccc31)CC2)c1ccsc1 96334076 WESOLPMGUPWHKV-UHFFFAOYSA-N 424.551 3.404 0 40 HGAB COC(=O)/C=C1\N=C(Nc2nc(C)cc(C)n2)N(c2ccc(Cl)c(Cl)c2)C1=O 100751248 IIBKMBZUENMQNX-ZSOIEALJSA-N 420.256 3.272 0 40 HGAB O=C(NC[C@H]1C[C@H]2C=C[C@H]1C21CC1)c1cc(COc2ccc(-n3cncn3)cc2)on1 102065397 CPBSVLHGYCEXNT-JXXFODFXSA-N 417.469 3.166 0 40 HGAB COc1ccc(-c2csc(C3=C(O)CN(CCCN4CCCC4=O)C3=N)n2)cc1 102726076 PTJPZMCAZMBERY-UHFFFAOYSA-N 412.515 3.393 0 40 HGAB COc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCC(C)CC3)c2)cc1OC 113957032 VDAJVFPFYXXKRW-UHFFFAOYSA-N 418.515 3.377 0 40 HGAB COc1ccc(N(CCCC(=O)N[C@@H](C)c2ccc(C)cc2)S(C)(=O)=O)cc1 113961059 SMYBCAZDVZVHGO-KRWDZBQOSA-N 404.532 3.427 0 40 HGAB O=C(c1cc(Br)ccc1Cl)N1CCC(N2C(=O)CSC2=O)CC1 206982258 IVZXXKZOYKGZRZ-UHFFFAOYSA-N 417.712 3.403 0 40 HGAB Cc1ccc(OC[C@@H](C)NC(=O)CCCN(c2ccccc2F)S(C)(=O)=O)cc1 222661037 MDWOQOHDYSWSLK-QGZVFWFLSA-N 422.522 3.264 0 40 HGAB COc1ccc(-c2noc(CN(C)S(=O)(=O)Cc3ccc(C)cc3)n2)cc1OC 223627273 WDRGJHSJCIHXLT-UHFFFAOYSA-N 417.487 3.024 0 40 HGAB O=C(Nc1ccc(OC(F)(F)F)cc1)[C@@]12C[C@@H]1CN(c1ccccc1)S2(=O)=O 225938129 PEHBJVKGFWOSRV-SJKOYZFVSA-N 412.389 3.132 0 40 HGAB CCOCCCNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1cc(C)ccc1C 225938309 PBXWHXCAULTQOZ-UHFFFAOYSA-N 418.559 3.037 0 40 HGAB O=C(Cn1cccnc1=O)N1CCCC[C@@H]1c1ncc(Cc2ccccc2Cl)o1 257259990 LAXTWWZZRTUYSL-GOSISDBHSA-N 412.877 3.229 0 40 HGAB Cc1ncc(-c2nccnc2C2CCN(C(=O)c3n[nH]c4ccccc34)CC2)n1C 257301944 SARSXGIAMZHPOE-UHFFFAOYSA-N 401.474 3.082 0 40 HGAB Cc1cc(C(=O)N2CCC[C@](COc3ccc(Cl)c(C)c3)(CC(N)=O)C2)no1 257331893 XUSPVCKRCCJMAB-FQEVSTJZSA-N 405.882 3.122 0 40 HGAB COc1ccc(F)cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2cccc(F)c2)C1 408713524 FVXLGYOBSXNWGL-CYBMUJFWSA-N 410.442 3.013 0 40 HGAB Cc1cccc(NC(=O)COc2ccc(S(=O)(=O)NCc3ccccc3)cc2)c1 409193394 JVTKPCMPWSVMJE-UHFFFAOYSA-N 410.495 3.491 0 40 HGAB COC(=O)CN1C(=O)/C(=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)NC1=S 409203468 YDXOXJCAMIENDA-GDNBJRDFSA-N 404.532 3.218 0 40 HGAB CCCCCC1=NN(C(=O)C(=O)Nc2ccccc2OC)[C@@](O)(C(F)(F)F)C1 409344651 GEKONXXQOVBOFR-KRWDZBQOSA-N 401.385 3.053 0 40 HGAB Cc1ccc(-n2nc(C(C)C)cc2NC(=O)Cc2ccc(S(N)(=O)=O)s2)cc1 523513487 HGVBOAGFKQXOEW-UHFFFAOYSA-N 418.544 3.194 0 40 HGAB C[C@](NC(=O)c1ncccc1C(F)(F)F)(C(N)=O)c1cccc(C(F)(F)F)c1 537757161 SBHMULXGOZHFQT-OAHLLOKOSA-N 405.298 3.250 0 40 HGAB CCOC(=O)COc1ccc(CCNC(=O)N2CCC[C@@H]2c2c(C)n[nH]c2C)cc1 538212959 DRGPAIYSIIWIFO-LJQANCHMSA-N 414.506 3.058 0 40 HGAB O=S(=O)(c1ccc2nc(O)nc(O)c2c1)N1CC=C(c2cccc3ccccc23)C1 543686519 SMDSUKAITLVGLL-UHFFFAOYSA-N 419.462 3.282 0 40 HGAB C[C@@]12C[C@H](c3ccccc3)N(C(=O)c3cccc4c3OCCO4)[C@@H]1CCC[C@@H](O)[C@@H]2O 585262166 USHJTBLZDHYSJM-BRJBDWDBSA-N 423.509 3.326 0 40 HGAB CNC(=O)NC1CCN(C(=O)NCc2ccccc2Oc2cccc(F)c2)CC1 1631491946 DZCVYOLEQQRCEQ-UHFFFAOYSA-N 400.454 3.221 0 40 HGAB CN(C(=O)c1cnc2ccccc2n1)C1CN(Cc2noc3ccc(Cl)cc23)C1 1775972946 FKVGVGSCSLDTRB-UHFFFAOYSA-N 407.861 3.381 0 40 HGAB O=C1COc2ccccc2CC=CC[C@@]2(CCCN(C(=O)c3ccccn3)C2)CN1 2037819025 GMQRTNDNCNNZIE-XMMPIXPASA-N 405.498 3.002 0 40 HGAB CC(=O)N[C@@H](Cc1cccc(F)c1)C(=O)Oc1ccc2c3c(c(=O)oc2c1)CCC3 627699 IEKCOQPRTAJUMI-FQEVSTJZSA-N 409.413 3.074 0 40 HGAB biogenic CCOC(=O)[C@H](C)n1cnc2sc(C(=O)Nc3ccccc3OC)c(C)c2c1=O 791241 OFGFPOOKVXLTDL-LBPRGKRZSA-N 415.471 3.151 0 40 HGAB COc1ccc(-c2nnc(SCC(=O)Nc3cc(OC)ccc3OC)o2)cc1 857427 ARUYSZMDPMSBOE-UHFFFAOYSA-N 401.444 3.493 0 40 HGAB COc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)on3)cc2)cc1 955938 QAKSOIOWTMETSI-LFYBBSHMSA-N 413.455 3.444 0 40 HGAB CCOC(=O)c1ccc(NC(=O)COC(=O)c2ccccc2Br)cc1 1962041 ZZSLYQRUQXLTOA-UHFFFAOYSA-N 406.232 3.421 0 40 HGAB Cc1cccc(-n2c(N)c(C(=O)NC[C@@H]3CCCO3)c3nc4ccccc4nc32)c1 2290972 AZSXGOBVKCQYLT-INIZCTEOSA-N 401.470 3.373 0 40 HGAB CCS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1ccc(OC)c(Cl)c1 2652132 JLQROKISYIWUDW-KRWDZBQOSA-N 408.907 3.064 0 40 HGAB CCOC(=O)COc1cccc2c(=O)n(CC(=O)Nc3ccc(CC)cc3)ccc12 2712213 PXCWUWIRZPQGPX-UHFFFAOYSA-N 408.454 3.145 0 40 HGAB O=C(CSc1nnc(NC2CCCCC2)s1)Nc1ccc2[nH]c(=O)[nH]c2c1 3317854 ABBYMYPKDZYRAZ-UHFFFAOYSA-N 404.521 3.183 0 40 HGAB C[C@H](Sc1cccc(C(F)(F)F)c1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 3343917 KDANAPKHNXNSFC-JTQLQIEISA-N 404.435 3.472 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccccc1C(C)C 3561255 GEFPGWAUAXCWAS-UHFFFAOYSA-N 402.516 3.392 0 40 HGAB O=C(Nc1cccn(Cc2ccc3c(c2)OC(F)(F)O3)c1=O)Oc1cccnc1 4052902 GVGAYTRUOLDALN-UHFFFAOYSA-N 401.325 3.224 0 40 HGAB CC(=O)N1CCc2c(sc(NC(=O)c3cccc(C(F)(F)F)c3)c2C(N)=O)C1 4280386 HXIYVFMOEVBVAL-UHFFFAOYSA-N 411.405 3.023 0 40 HGAB Cc1ccc(S(=O)(=O)Nc2n[nH]nc2C(=O)Nc2cccc3ccccc23)cc1 4497830 HHOBMAWCYOMWGV-UHFFFAOYSA-N 407.455 3.319 0 40 HGAB CC(C)(C)NC(=O)[C@H](c1ccncc1)N(C(=O)c1csnn1)c1ccc(F)cc1 4857827 VTERCIMRZGDNAU-KRWDZBQOSA-N 413.478 3.375 0 40 HGAB Cc1ccc2c(c1)CCCN2CC(=O)N(C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 6510235 FITKZOSOZWQDNR-HXUWFJFHSA-N 404.576 3.096 0 40 HGAB Cc1ccc(NC(=O)c2c(F)cccc2Cl)cc1S(=O)(=O)N1CCOCC1 6939940 JRIPHBCRNIDDCO-UHFFFAOYSA-N 412.870 3.061 0 40 HGAB CN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)CN2CCCCCC2)cc1 7339614 YWTFGNNUMMUMTO-UHFFFAOYSA-N 415.559 3.322 0 40 HGAB C[C@H](OC(=O)CCC1CCCCC1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 7701787 QJLWVUQVWVYZRZ-HNNXBMFYSA-N 410.536 3.168 0 40 HGAB CCOc1ccc(NC(=O)c2ccc(C)c(OC)c2)cc1S(=O)(=O)N1CCCC1 7964646 CTRKNXJSCDRRBW-UHFFFAOYSA-N 418.515 3.439 0 40 HGAB Cc1ccc(NC(=O)CCNS(=O)(=O)c2cccc(Br)c2)cc1F 8083125 MRYIIZGAFKLNAK-UHFFFAOYSA-N 415.284 3.204 0 40 HGAB COc1ccc(Br)cc1CN(C)C(=O)c1ccc(S(C)(=O)=O)cc1 8763072 RYLXQYMKXMTAPR-UHFFFAOYSA-N 412.305 3.133 0 40 HGAB CCC(CC)C(=O)NCCn1ncc2c(=O)n(Cc3cccc4ccccc34)cnc21 9016489 VDXYMAAFLHITGS-UHFFFAOYSA-N 417.513 3.347 0 40 HGAB COc1ccccc1N1C(=S)N(Cc2ccc(Cl)cc2)[C@H]2CS(=O)(=O)C[C@@H]21 9343894 GQGTXPKSRXOYPX-IRXDYDNUSA-N 422.959 3.121 0 40 HGAB COc1ccc(-c2nnc3ccc(SCC(=O)NCc4ccc(F)cc4)nn23)cc1 9415201 LBTLBFCPJUUSLG-UHFFFAOYSA-N 423.473 3.348 0 40 HGAB COc1cccc(C(=O)N2CCN(c3ccc(-c4cccs4)nn3)CC2)c1OC 9824942 GFLTUEDORFGALA-UHFFFAOYSA-N 410.499 3.185 0 40 HGAB CCOc1ccc(NC(C)=O)cc1S(=O)(=O)NCCc1c[nH]c2ccccc12 11615628 WMNXOTFZSBCTAL-UHFFFAOYSA-N 401.488 3.046 0 40 HGAB COc1cccc(CC(=O)N[C@H]2CC(C)(C)Cc3nc(-c4cnccn4)ncc32)c1 12239099 UXABSHLHJPSANW-SFHVURJKSA-N 403.486 3.315 0 40 HGAB O=C(CS[C@H]1CCc2ccccc2NC1=O)NC1CCN(Cc2ccccc2)CC1 12323298 OHHKDFVGJYKEAI-QFIPXVFZSA-N 423.582 3.454 0 40 HGAB O=C(CNc1ccc(S(=O)(=O)N2CCCCCC2)cc1)NCc1cccs1 12534509 YNNYDLJQUCURMT-UHFFFAOYSA-N 407.561 3.041 0 40 HGAB CCc1ccc(-c2noc(CN3C(=O)N[C@H](Cc4c[nH]c5ccccc45)C3=O)n2)cc1 12752705 KLWDQDDXDOBVSJ-LJQANCHMSA-N 415.453 3.443 0 40 HGAB O=C(COc1ccc(Br)cc1)Nc1ccc(-c2nnnn2C2CC2)cc1 12765488 FLHRVTBHOMXBKM-UHFFFAOYSA-N 414.263 3.455 0 40 HGAB CN1CCCN(C(=O)CCCn2c(=O)oc3ccccc32)c2nc3ccccc3nc21 12810603 JAOHUHZFBIBUQB-UHFFFAOYSA-N 417.469 3.191 0 40 HGAB O=C(CN1C(=O)c2ccccc2C1=O)Nc1ccc(C2=CSC3=NCCCN23)cc1 12855034 LLLVAZKIRRZLBV-UHFFFAOYSA-N 418.478 3.028 0 40 HGAB CCc1ccccc1NC(=O)NCCn1nc(-c2cc(OC)ccc2OC)ccc1=O 13602266 SXQUOQIBBYFKTN-UHFFFAOYSA-N 422.485 3.312 0 40 HGAB Nc1nc(N2CCCCC2)nc2c1[C@@H](C(=O)Nc1ccc(Cl)cc1)CC(O)=N2 13637521 AZIDRVNTPDKCQN-ZDUSSCGKSA-N 400.870 3.417 0 40 HGAB O=C(Nc1nc2ccccc2s1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 14015804 YQHUOHVOPPLBMG-CYBMUJFWSA-N 419.503 3.475 0 40 HGAB Nc1nc(COC(=O)c2cc3ccccc3c(=O)[nH]2)nc(Nc2ccc(Cl)cc2)n1 14123117 OCRLICGEWHCECA-UHFFFAOYSA-N 422.832 3.049 0 40 HGAB CC[C@]1(c2ccc(F)cc2)NC(=O)N(C[C@@H](O)COc2ccc(C)cc2C)C1=O 14252279 ZSENTGPXRCSJDA-XMSQKQJNSA-N 400.450 3.040 0 40 HGAB O=C(Cc1csc2nc(-c3ccccc3)cn12)N1CCN(C(=O)c2ccoc2)CC1 16838849 XJNRUUCOLXMIGK-UHFFFAOYSA-N 420.494 3.183 0 40 HGAB COc1ccc(-c2ccc(=O)n(Cc3nc(-c4ccc(C)cc4)no3)n2)cc1OC 16845644 WHLFWTKXSAUFSV-UHFFFAOYSA-N 404.426 3.334 0 40 HGAB C[C@H](O)c1cccc(NC(=S)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)c1 17083237 HGXZYEMGLUZFQN-AWEZNQCLSA-N 405.545 3.333 0 40 HGAB O=C(c1ccco1)N1CCN([C@H](c2ccc(F)cc2)c2nnnn2C2CCCC2)CC1 19342067 ROZAIXSGNGAXSX-HXUWFJFHSA-N 424.480 3.068 0 40 HGAB O=C1CC[C@]2(CCCN(C(=O)C[C@@H]3NC(=O)c4ccccc43)[C@@H]2c2cccc(F)c2)N1 19375045 REBYDLXTRCAECG-KWOQKUFVSA-N 421.472 3.013 0 40 HGAB CN1CCC2(CC1)CN(S(=O)(=O)c1ccc(Cl)cc1)Cc1ccccc1O2 19588439 BTMYPHQWFPOHSD-UHFFFAOYSA-N 406.935 3.388 0 40 HGAB COc1ccc(-c2nccnc2[C@H]2CN(C(=O)C3CCN(C(C)C)CC3)CCO2)cc1 19693443 NECRYJMMKFJNIR-OAQYLSRUSA-N 424.545 3.173 0 40 HGAB COc1cc2c(cc1OC)CN(CC(=O)N[C@@H]1CC(C)(C)Oc3ccccc31)CC2 19716665 ZDJPVVMRCBDHKM-LJQANCHMSA-N 410.514 3.481 0 40 HGAB Nc1n[nH]c2nc([C@H]3CCCCN3CC(=O)N3CCCCC3)cc(C(F)(F)F)c12 19743398 BSGAWTYCPJMXOO-CQSZACIVSA-N 410.444 3.098 0 40 HGAB Cc1nn(C(C)C)c(C)c1CN1CCO[C@H](c2cc(C(N)=O)c3ccccc3n2)C1 19762389 GNDSKHGXIQXXGZ-QFIPXVFZSA-N 407.518 3.301 0 40 HGAB CCOC(=O)[C@@](NCc1cccnc1)(NC(=O)c1ccccc1Cl)C(F)(F)F 19938835 FPRJVWCQWZATMY-QGZVFWFLSA-N 415.799 3.076 0 40 HGAB COc1ccc([C@H](C)NC(=O)[C@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)cc1 20107687 KMNRGKJQJGTSBU-KBPBESRZSA-N 410.923 3.381 0 40 HGAB CCCn1cnc2c(sc3nc(N4CCOCC4)c4c(c32)CC(C)(C)OC4)c1=O 20291872 CIBVBONUUCATJY-UHFFFAOYSA-N 414.531 3.104 0 40 HGAB CC(=O)c1ccc(NC(=O)CN2CCN(Cc3nc(C(C)(C)C)cs3)CC2)cc1 22630521 STZVZBMYYAGHPV-UHFFFAOYSA-N 414.575 3.400 0 40 HGAB COc1ccc(OCCN2CCN(c3nc4cc(C)nn4c4ccccc34)CC2)cc1 26761509 MJWZAXLDXKNYKE-UHFFFAOYSA-N 417.513 3.401 0 40 HGAB Cc1cccc2c(=O)n(CCCC(=O)O[C@@H](C)C(=O)N3CCc4ccccc43)cnc12 26948036 ZLCUXAJKCXDTMR-KRWDZBQOSA-N 419.481 3.006 0 40 HGAB CNC(=O)c1cc(S(=O)(=O)N[C@H](c2ccccc2)c2ccc(C)cc2)ccc1OC 30756502 FHJSWKZKNAEPJO-JOCHJYFZSA-N 424.522 3.431 0 40 HGAB O=C(CSc1ccc(S(=O)(=O)N2CCCC2)cn1)c1ccc2c(c1)CCC2 31754497 ANKFPRIDQMDIAI-UHFFFAOYSA-N 402.541 3.330 0 40 HGAB Cc1noc(C)c1CN1CCN(S(=O)(=O)c2ccccc2-c2ccccc2)CC1 32916585 FOOLAOMLCXHMDT-UHFFFAOYSA-N 411.527 3.465 0 40 HGAB CO[C@]1(C)NC(=S)N[C@@H](c2ccc(OC(F)F)cc2)[C@H]1C(=O)Nc1ccccc1 36011473 PQZNVBQHTQSSSF-FTRWYGJKSA-N 421.469 3.424 0 40 HGAB COc1cc(CN(C)CN2C(=O)N[C@]3(CCCC[C@H]3C)C2=O)ccc1OC(F)F 36391766 GWGJUOPCWDUCRJ-XCLFUZPHSA-N 411.449 3.187 0 40 HGAB CC(C)CC[C@H](C)N(C[C@H](O)COCc1ccco1)C[C@H](O)COCc1ccco1 37474975 GMVQJAPQQYZGFA-ACRUOGEOSA-N 423.550 3.455 0 40 HGAB CCOc1cc(CNC(=O)CCn2nc(-c3ccc(C)cc3)ccc2=O)ccc1OC 41254536 QWZGCCHEZCOXAK-UHFFFAOYSA-N 421.497 3.333 0 40 HGAB COC(=O)c1ccc(C(=O)Nc2ccc(N3CCCN(C(=O)C4CC4)CC3)cc2)cc1 42382805 BIUUQDWJQPAFBK-UHFFFAOYSA-N 421.497 3.174 0 40 HGAB Cc1ccc(CN2CCC(C(=O)N[C@H](C)c3ccc(S(C)(=O)=O)cc3)CC2)cc1 44857120 XGFPOQYJKMCLND-GOSISDBHSA-N 414.571 3.488 0 40 HGAB Cc1cccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)CCCc3ccccc3)C2)c1 44884294 BTYNUWFOVVSLNO-QFIPXVFZSA-N 414.571 3.286 0 40 HGAB COc1ccc2c(c1)CCC[C@@]21NC(=O)N(CN(C)CCOc2ccc(C)cc2)C1=O 49612960 OVVBFTOCFNINIY-XMMPIXPASA-N 423.513 3.055 0 40 HGAB O=C1CN(CCC2=CCCCC2)[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Cl)cc1 55408526 VSQVLQZZWDLQOC-RBUKOAKNSA-N 408.951 3.045 0 40 HGAB C[C@]12CCC(=O)N1[C@@H](C(=O)Nc1ccc(C(=O)N3CCCCCC3)cc1)CS2 55741610 UDRWPQGBANLPGL-UTKZUKDTSA-N 401.532 3.095 0 40 HGAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c2c1[C@@H](c1ccc(OC(C)C)cc1)CC(O)=N2 71282799 CSXLVEPSRQOPCF-NVXWUHKLSA-N 403.504 3.462 0 40 HGAB O=C(CC1(Cn2cnnn2)CCCCC1)N1CCN(c2cccc(Cl)c2)CC1 79480768 YQZWSPNFBDNKBU-UHFFFAOYSA-N 402.930 3.016 0 40 HGAB O=c1/c(=C/c2cccc(O)c2)sc2n1[C@@H](c1ccccc1)C(c1ccccc1)=NN=2 85984313 ZSFGMKJRLRUHMR-BARSGRSVSA-N 411.486 3.071 0 40 HGAB CCN(C)[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccccc1 95446995 IYQQAHUDZBLHRI-HXUWFJFHSA-N 401.532 3.103 0 40 HGAB C[C@H]1CN(C(=O)C2CCN(CC(F)(F)F)CC2)[C@H](C)CN1C(=O)OC(C)(C)C 95458814 WDHGYCBRDHLEEW-KGLIPLIRSA-N 407.477 3.117 0 40 HGAB O=S(=O)(Nc1ccncc1N1CCCCC1)c1cnn(-c2ccccc2F)c1 96013527 AIOYAOILVHCEHD-UHFFFAOYSA-N 401.467 3.198 0 40 HGAB CCN1[C@H]2CCN(Cc3ccccc3F)CC[C@@H]2Oc2ccccc2S1(=O)=O 96145735 MMCVLANMHOZYOF-OALUTQOASA-N 404.507 3.262 0 40 HGAB Cc1nn(-c2nc3ccccc3o2)c(O)c1[C@@H]1CC(=O)N(c2ccccc2F)C1=O 100068965 RUICPTNFNTWHFM-LBPRGKRZSA-N 406.373 3.214 0 40 HGAB COc1ncc(C2(O)[C@@H]3CCC[C@@H]2CN(Cc2cn(C)c4ccccc24)C3)c(OC)n1 100149544 FLQMGEYOBBVKKC-QZTJIDSGSA-N 422.529 3.105 0 40 HGAB COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N[C@H]3C[C@@H]4CC[C@@H]3C4)cc2)cc1 100403292 HTLSCWWREKRKKF-CEQIKUNHSA-N 414.527 3.439 0 40 HGAB O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Nc1ccc(SCc2cccnc2)cc1 102535944 CMHDEDAQULZMDE-RTBURBONSA-N 409.511 3.488 0 40 HGAB O=C(CN1C(=O)[C@H]2CCCC[C@H]2C1=O)NC1(c2cccc(Br)c2)CCC1 103702481 QRSSPPKTXYCECL-IYBDPMFKSA-N 419.319 3.120 0 40 HGAB COc1cccc(N(CCCC(=O)N[C@@H](C)c2ccccc2OC)S(C)(=O)=O)c1 223331225 FSNIOXFHWGYVSF-INIZCTEOSA-N 420.531 3.127 0 40 HGAB COc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)cc1 223627194 GBVOTLWDMFGRGC-RTWAWAEBSA-N 408.527 3.236 0 40 HGAB COC(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc3c(c2)CCCN3C(C)=O)c1 223847095 IMGKBROJXDCXFF-UHFFFAOYSA-N 422.890 3.227 0 40 HGAB CCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCCOc1ccc(OC)cc1 224079306 RIMSFJQUHXPALA-IBGZPJMESA-N 412.530 3.450 0 40 HGAB Cc1cc(C)cc(OCCNC(=O)CCCN(c2ccc(F)cc2)S(C)(=O)=O)c1 224081193 OQGOMDPEEDVXTQ-UHFFFAOYSA-N 422.522 3.184 0 40 HGAB COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)Nc1c(C)cc(C)cc1C 224482137 MWKXAJUVJMGJRJ-UHFFFAOYSA-N 404.532 3.442 0 40 HGAB COC(=O)c1ccc(CS(=O)(=O)Nc2nnc(SCC(C)C)s2)cc1 225083712 NCRIICCWQVRJSE-UHFFFAOYSA-N 401.535 3.015 0 40 HGAB CCc1ccc(CC)c(CNC(=O)[C@@H](C)N(c2cccc(F)c2)S(C)(=O)=O)c1 225438502 DDUKCRVPMAIMSA-OAHLLOKOSA-N 406.523 3.421 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)Cc1ccc(C)cc1C 225730776 JJHJXOCAHOEULP-UHFFFAOYSA-N 402.516 3.278 0 40 HGAB Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)Nc2ccc(F)cc2F)s1 225846864 BJLQZCTWUXCXFP-UHFFFAOYSA-N 410.427 3.178 0 40 HGAB COc1ccc(OC)c(NC(=O)[C@@H]2C[C@@H](C(C)C)N[C@]23C(=O)Nc2ccc(C)cc23)c1 229659110 GDXJQZFJTRLPIA-KDLAUNOPSA-N 423.513 3.432 0 40 HGAB CCc1ncc(CN2CCC[C@@H](Cc3cc(Nc4cc(C)n[nH]4)nc(C)n3)C2)cn1 257233426 GPFFRJXSLFSBDQ-KRWDZBQOSA-N 406.538 3.367 0 40 HGAB COc1ncccc1CN1CCC2(CC1)c1ccccc1N(CC(C)C)S2(=O)=O 306126870 FHOWNLXEBGPMPT-UHFFFAOYSA-N 415.559 3.387 0 40 HGAB CSc1ccc(CC(=O)N2CC[C@@]3(COCc4cnc(NC5CC5)nc43)C2)cc1 306134795 NYHPFXMTIGNPIJ-QFIPXVFZSA-N 410.543 3.016 0 40 HGAB Cc1cccc(NC(=O)COc2ccc(S(=O)(=O)N3CCCCC3)cc2C)c1 408560633 DRINEESETNMRAP-UHFFFAOYSA-N 402.516 3.496 0 40 HGAB CC1=C(C(N)=O)[C@H](c2ccccc2)NC(SCC(=O)Nc2ccc(C)c(C)c2)=N1 408991869 RHZGDYZASXNSHZ-FQEVSTJZSA-N 408.527 3.435 0 40 HGAB CNC(=O)c1cccc(CN2C(=O)N[C@@](Cc3ccccc3)(c3ccccc3)C2=O)c1 504570602 LXIWWSLEMFIHHU-VWLOTQADSA-N 413.477 3.236 0 40 HGAB O=C(Cc1cccc(F)c1)N1CCC2(CCC(=O)N(CC3CCOCC3)C2)CC1 585102170 ILKBUKKDGKOPNJ-UHFFFAOYSA-N 402.510 3.026 0 40 HGAB Cc1ccc(-c2ccc3c(c2)C2(CCOCC2)CN3C(=O)CN2CCN(C)CC2)cc1 585105784 LVXNONQDOLNIEH-UHFFFAOYSA-N 419.569 3.304 0 40 HGAB CC(C)C[C@@H]1NC(=O)C2(CCCCCOC[C@@H](C)NC1=O)CCN(CC(C)C)CC2 643581474 DXUMNYAXKJOUNX-RTWAWAEBSA-N 423.642 3.351 0 40 HGAB COC1=C(C)C(=O)O/C1=C1/O[C@@H]2CCCN3/C(=C4/C[C@H](C)C(=O)O4)CC[C@H]3[C@H]2[C@@H]1C 1560411828 ILSVLZCWCWOWCR-QCAVTEHTSA-N 415.486 3.379 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccccc3)C2)cc1Cl 1363983 NKMZQAKQMWPBJG-AWEZNQCLSA-N 408.907 3.388 0 40 HGAB O=C(O)c1ccc(C(S(=O)(=O)c2ccccc2)S(=O)(=O)c2ccccc2)cc1 1718184 UFPUTNQOGDHLEU-UHFFFAOYSA-N 416.476 3.331 0 40 HGAB Cc1c(C)c2ccc(O[C@H](C)C(=O)N[C@H](C(=O)O)c3ccccc3)c(C)c2oc1=O 2156128 PXQIAAFAJDPCNT-BEFAXECRSA-N 409.438 3.428 0 40 HGAB biogenic COC(=O)[C@](NNc1ccccc1)(c1c(C)[nH]n(-c2ccccc2)c1=O)C(F)(F)F 2270434 MDZJHQJVHAAVDT-LJQANCHMSA-N 420.391 3.021 0 40 HGAB O=c1c2ccccc2nnn1CSc1nnc(COc2ccccc2Cl)o1 3345868 YQXBHAKBYNNILM-UHFFFAOYSA-N 401.835 3.157 0 40 HGAB COc1ccc2cc(CCNC(=O)c3ccc(Br)cc3)c(=O)[nH]c2c1 4032873 SXGVMLSAGLKDRG-UHFFFAOYSA-N 401.260 3.272 0 40 HGAB COc1ccc(NC(=O)CSc2nnc(Cc3ccc(OC)c(OC)c3)o2)cc1 4943093 DPJJULUJFZTKNB-UHFFFAOYSA-N 415.471 3.417 0 40 HGAB CC(C)(C)NC(=O)CSc1nnc(CNC(=O)c2cccc(C(F)(F)F)c2)o1 5107520 XCKMIMUEBNADJJ-UHFFFAOYSA-N 416.425 3.025 0 40 HGAB O=C(COC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)Nc1cccc(Cl)c1Cl 5241752 QZMDWQIHAWBHRY-NSHDSACASA-N 411.241 3.117 0 40 HGAB Cc1cc(C)c(NC(=O)[C@H](C)OC(=O)CCN2C(=O)c3ccccc3C2=O)c(C)c1 5484285 DWZUHETZYNZJFW-INIZCTEOSA-N 408.454 3.168 0 40 HGAB O=C(Nc1nc2ccccc2[nH]1)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 6589611 VXJUDPGXRKFRLZ-NTCAYCPXSA-N 410.499 3.214 0 40 HGAB COCCCn1cnnc1SCC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 6610808 BRSVTQGBGOUNCP-UHFFFAOYSA-N 418.519 3.477 0 40 HGAB Cc1ccc(C)c(NC(=O)CN(C)C(=O)CSc2nnc(-c3ccoc3C)o2)c1 7193709 MWVIBYDPBALHGA-UHFFFAOYSA-N 414.487 3.444 0 40 HGAB CCOc1ccccc1NS(=O)(=O)c1ccc(OC)c(C(=O)N2CCCC2)c1 7361309 LQASXIGUGCYPJJ-UHFFFAOYSA-N 404.488 3.131 0 40 HGAB Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)c3cc4c(s3)CCC4)CC2)c(C)c1 7805550 NYKNDJPBBAMCRR-UHFFFAOYSA-N 418.584 3.309 0 40 HGAB COc1ccc(C(=O)[C@@H](C)N(C(=O)c2ccccc2Cl)N2C(=O)CCC2=O)cc1 7881760 CPZCHLLVPUTBBU-CYBMUJFWSA-N 414.845 3.126 0 40 HGAB CCOC(=O)c1sc2nc(CN3CCCCC3)nc(NCCC(=O)OC)c2c1C 7976539 XXTQJICRVLELLP-UHFFFAOYSA-N 420.535 3.137 0 40 HGAB Cc1sc2nc(CN3CCCC3)nc(N3CCN(c4ncccn4)CC3)c2c1C 7985808 LLXBPYQMMDCORY-UHFFFAOYSA-N 409.563 3.021 0 40 HGAB O=C1Nc2ccccc2S[C@H]1CC(=O)N1CCN(c2ccccc2Cl)CC1 8014781 KZLYLXZPFUDWIR-SFHVURJKSA-N 401.919 3.492 0 40 HGAB COc1ccc(NC(=O)CCCN(c2ccc(C)cc2)S(C)(=O)=O)c(OC)c1 8050885 DPPRQHUCTSTGCK-UHFFFAOYSA-N 406.504 3.197 0 40 HGAB COc1ccc(S(=O)(=O)NCc2ccc(C)cc2)cc1C(=O)N1CCCCC1 8560519 SZGVOAQGOGTDDH-UHFFFAOYSA-N 402.516 3.108 0 40 HGAB C[C@@H]1CCc2nc(NC(=O)[C@H]3CCCN3S(=O)(=O)c3ccc(F)cc3)sc2C1 8895255 WEXMRRORIFHSMF-MLGOLLRUSA-N 423.535 3.199 0 40 HGAB CSc1nc(NCC(C)C)c2cnn(CCNC(=O)c3ccc(F)c(F)c3)c2n1 8942520 OFEQHANACFMDDL-UHFFFAOYSA-N 420.489 3.324 0 40 HGAB CC(=O)Nc1ccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1 9303869 GZJOKYRWQNYRCH-GOSISDBHSA-N 421.906 3.090 0 40 HGAB C[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)c1ccc(-n2ccnc2)cc1 9909555 PJAHFQPLIYZDIF-KRWDZBQOSA-N 424.526 3.148 0 40 HGAB CCOC(=O)CN(C(=O)CN1CCC[C@@H]1c1ccc2c(c1)OCCO2)c1ccccc1 10053943 XDTFZOSJVYFGDK-HXUWFJFHSA-N 424.497 3.191 0 40 HGAB COc1ccc(N([C@H](C)C(=O)NC(C(C)C)C(C)C)S(C)(=O)=O)cc1Cl 10364413 IZMDUCHJVDEWDG-CYBMUJFWSA-N 404.960 3.300 0 40 HGAB Cc1ccn(C(=O)c2cccc(N3CCCS3(=O)=O)c2)/c(=N/C2CCCCC2)c1 10800691 PUBSUBWTCOTBDB-XTQSDGFTSA-N 413.543 3.258 0 40 HGAB O=C(C[C@@H]1CCS(=O)(=O)C1)Nc1nc(-c2ccc(Br)cc2)cs1 11990897 FCBHXDULPSKYAA-JTQLQIEISA-N 415.334 3.336 0 40 HGAB CSCC[C@@H](NC(=O)CCc1nc2ccccc2c(=O)[nH]1)c1nc2ccccc2[nH]1 12534946 JRXRGIDAXMVORB-GOSISDBHSA-N 421.526 3.343 0 40 HGAB Cn1c(=O)c2ccccc2n2c(COC(=O)C3(c4ccc(F)cc4)CCCC3)nnc12 12636656 BNRBTEZSTGSUJN-UHFFFAOYSA-N 420.444 3.276 0 40 HGAB CCOc1ccccc1N1C[C@H](C(=O)N[C@H](c2ccccc2)c2nccn2C)CC1=O 12741328 UWFLCJOJDAMUGQ-XMSQKQJNSA-N 418.497 3.078 0 40 HGAB Cc1ccc(CN(C)C(=O)CN2CCC(C(=O)Nc3ccccc3O)CC2)c(C)c1 12770307 GJEQXZYAPSZYAN-UHFFFAOYSA-N 409.530 3.318 0 40 HGAB O=C([C@H]1CN(C(=O)c2ccc(Cl)c(Cl)c2)c2ccccc2O1)N1CCOCC1 12975944 LNSKHYIKTBVIGI-GOSISDBHSA-N 421.280 3.260 0 40 HGAB O=c1c2ccsc2ncn1Cc1cccc(Cn2cnc3sccc3c2=O)c1 12985786 NNBYQRFHKKXFGN-UHFFFAOYSA-N 406.492 3.326 0 40 HGAB COc1cc(OC)c(OC)cc1CNS(=O)(=O)c1cc(Cl)cc(Cl)c1 13004934 FYLNUZVOXPHIKC-UHFFFAOYSA-N 406.287 3.498 0 40 HGAB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C1/C[C@H](c2ccc(Cl)cc2)NN1 13572388 MHSMXSBKJXKKQY-PQDJCJPTSA-N 417.252 3.070 0 40 HGAB COc1cc(/C=C2\NC(=O)NC2=O)ccc1OCc1ccc(Br)cc1 15012691 DYWMUHUJXZYYSC-ZSOIEALJSA-N 403.232 3.217 0 40 HGAB COc1cc2nc(NN)n(-c3ccc(Nc4ccccc4)cc3)c(=O)c2cc1OC 15424573 ITRMXMGEGZRZJL-UHFFFAOYSA-N 403.442 3.432 0 40 HGAB CCOC(=O)C1=C(N)Oc2c(c(=O)oc3ccccc23)[C@H]1c1ccc(O)c(OCC)c1 17093513 SSSGVRPEYIOQTI-QGZVFWFLSA-N 423.421 3.155 0 40 HGAB COc1cccc(C(=O)COC(=O)c2cccc(N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)c2)c1 17988318 KQAVIIFIVIXWQK-PMACEKPBSA-N 419.433 3.191 0 40 HGAB C[C@@H](Cn1cnc2ccccc21)C(=O)Nc1ccnn1Cc1ccc2c(c1)OCO2 19457778 WLLWNVHMISAMJX-HNNXBMFYSA-N 403.442 3.285 0 40 HGAB CCC(=O)N1CC[C@@](Cc2ccc(-c3ccccc3)cc2)(C(=O)N2CCOCC2)C1 19498402 YPZQZPBEXHMJFE-VWLOTQADSA-N 406.526 3.384 0 40 HGAB COc1ccc(S(=O)(=O)NCc2ccc3[nH]c(C)c(C)c3c2)cc1NC(C)=O 19576862 IFMFFPHUBBAQCG-UHFFFAOYSA-N 401.488 3.230 0 40 HGAB COCCC(=O)N1CCC[C@@](Cc2ccccc2-c2cccnc2)(C(=O)N(C)C)C1 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22840228 VNBCGDKVSNQAKK-UHFFFAOYSA-N 405.502 3.110 0 40 HGAB C[C@]1(c2ccco2)NC(=O)N(CN2CCC(c3nc4ccccc4s3)CC2)C1=O 23881094 HPGPVAUHVSQRLU-OAQYLSRUSA-N 410.499 3.493 0 40 HGAB CCc1ccc(Nc2nn(CN(CC)[C@H]3CCS(=O)(=O)C3)c(=S)s2)cc1 24178819 SSKXXKRFHKIGMD-HNNXBMFYSA-N 412.606 3.447 0 40 HGAB Cc1cccc(OCCN(C)C(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCC4)c1 24958409 MSSYUGYLGYFJKI-UHFFFAOYSA-N 411.527 3.252 0 40 HGAB C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N(C)Cc1ccccc1OC(F)(F)F 25534122 GWQJHTDQHBOTCJ-LLVKDONJSA-N 408.380 3.214 0 40 HGAB CNC(=O)[C@@H]1Cc2ccccc2CN1Cc1nc(-c2ccc(C(F)(F)F)cc2)no1 26917843 OHUQNCUMOHCOHR-KRWDZBQOSA-N 416.403 3.428 0 40 HGAB Cc1cc(C)cc(O[C@@H](C)C(=O)N(Cc2ccccc2F)[C@H]2CCS(=O)(=O)C2)c1 28228688 KLLSZAHJMXQKSL-HKUYNNGSSA-N 419.518 3.426 0 40 HGAB CS(=O)(=O)N1CCCC[C@@H]1C(=O)Nc1cccc(OCc2ccc(F)cc2)c1 30391748 PBCWNIJBSHCLBF-LJQANCHMSA-N 406.479 3.157 0 40 HGAB CCn1c(=O)[nH]c(=O)c2c(C(=O)N[C@H](C)c3ccccc3Cl)cc(C3CC3)nc21 32078840 PKLLOHPXWHHLEH-LLVKDONJSA-N 412.877 3.127 0 40 HGAB CCOc1cc2c(cc1NC(=O)[C@@H]1CC(=O)N(c3cccc(OC)c3)C1)O[C@@H](C)C2 32759202 YEWAWOMXNUMUGH-GOEBONIOSA-N 410.470 3.409 0 40 HGAB Cc1ccc(-c2nc(CS(=O)(=O)Cc3cc(=O)n4c(C)csc4n3)co2)cc1 40070133 KTPZEELADPYQET-UHFFFAOYSA-N 415.496 3.143 0 40 HGAB O=C(CN1C(=O)COc2ccccc21)N1CCCc2cc(OC(F)(F)F)ccc21 40090422 QPAYKQAARDUFKL-UHFFFAOYSA-N 406.360 3.290 0 40 HGAB CN(C)CC(C)(C)CNC(=O)C1CCN(c2ncnc3c2oc2ccccc23)CC1 40158223 SNUCKTZASIRWAE-UHFFFAOYSA-N 409.534 3.296 0 40 HGAB CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)Nc2cc(-n3cnnn3)ccc2C)c1 47926517 SNQNSUHAEWSJQO-CQSZACIVSA-N 407.478 3.277 0 40 HGAB C[C@@H](Cc1c(F)cccc1F)NC(=O)c1sccc1S(=O)(=O)N1CCCC1 54576728 PYRIJMFJTNEQQY-LBPRGKRZSA-N 414.499 3.172 0 40 HGAB CCOC(=O)Cn1ncc2ccc(NC(=O)c3ccc4c(c3)NC(=O)[C@H](C)S4)cc21 58115386 LUYKZQCDNBNHCO-LBPRGKRZSA-N 424.482 3.284 0 40 HGAB CCN1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2ccc(OC)c(OC)c2)CC1 58148790 LBGFNEYBZICZEX-UHFFFAOYSA-N 420.513 3.334 0 40 HGAB COc1ccc(NC(=O)CSc2nc3ccccc3n3c(C)nnc23)c(OC)c1 64948999 OJNFUYCFMLOILD-UHFFFAOYSA-N 409.471 3.334 0 40 HGAB Cc1cc(Sc2ncccn2)ccc1NC(=O)CN1C(=O)COc2ccccc21 65476980 DXPFRBBNSYTUJV-UHFFFAOYSA-N 406.467 3.300 0 40 HGAB COc1ccc(CNC(=O)c2cc(Cc3noc(-c4cccc(F)c4)n3)on2)cc1 66089188 RXERXIDYHPLUCZ-UHFFFAOYSA-N 408.389 3.393 0 40 HGAB COc1ccc(S(=O)(=O)N(C)C)cc1NCc1cc(=O)oc2c(C)c(C)ccc12 69579841 RFFZEAHXJVQLIR-UHFFFAOYSA-N 416.499 3.281 0 40 HGAB COc1cc(CSc2nnc(NC(=O)c3snnc3C)s2)cc(OC)c1 70634965 ZLEGYGFEEPBQNP-UHFFFAOYSA-N 409.518 3.260 0 40 HGAB Cc1nc2cc(-c3ccoc3C)nn2c(N2CCN(C(=O)c3ccncc3)CC2)c1C 72336848 PCMRCLFCVMCOKY-UHFFFAOYSA-N 416.485 3.272 0 40 HGAB COc1ccc(N2C[C@H](C(=O)Nc3ccc(-n4cccn4)c(F)c3)CC2=O)cc1OC 95951282 NPGZKVMRFJIGTL-CQSZACIVSA-N 424.432 3.020 0 40 HGAB CN1CCCN(C(=O)c2cc3c(c4ccccc4n3CC3CC3)n2C(=O)N(C)C)CC1 96146518 VORGWDYHGRYOGK-UHFFFAOYSA-N 421.545 3.313 0 40 HGAB CN1C[C@H]2C3(CCN(C(=O)Nc4cccc(Cl)c4)CC3)CC[C@@]2(C(=O)N(C)C)C1 96262426 QHSXCZVBRVOXPB-PGRDOPGGSA-N 418.969 3.384 0 40 HGAB COc1ccc(-c2ncc(CN3C[C@H]4CCC[C@H](C3)C4(O)c3nccn3C)cn2)cc1 100150121 UMOMKFSCMBIINW-WOJBJXKFSA-N 419.529 3.005 0 40 HGAB COc1ccccc1N1CCN([C@@H]2CC(=O)N(c3ccc(C)cc3Cl)C2=O)CC1 100865186 PCZNQPBGSRLAKP-LJQANCHMSA-N 413.905 3.111 0 40 HGAB COc1cccc(Cn2c(=O)[nH]c3ccccc3/c2=N\C(=O)NCc2ccccc2)c1 101113935 YXPJHFRUJNOCPZ-HPNDGRJYSA-N 414.465 3.197 0 40 HGAB O=C(CCCCCN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@@H]2C1=O)OCC(=O)c1ccccc1 102085118 QXLNTHOSHAVDCY-LXNNMKQJSA-N 421.493 3.026 0 40 HGAB Cc1ccccc1NC(=O)COC(=O)c1cccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 135682435 MYAOFNDOQHGKAF-OALUTQOASA-N 418.449 3.246 0 40 HGAB COc1cc(CN2Cc3ccccc3C[C@H]2C(=O)NCCCOC(C)C)ccc1O 199407342 QDYOVYNSRBWLFB-NRFANRHFSA-N 412.530 3.259 0 40 HGAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21 219602551 CBDJPYMZKRSNQW-LJQANCHMSA-N 422.934 3.337 0 40 HGAB COCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1cccc(OC)c1 223021487 KTFSRIBYCHPAHL-NHCUHLMSSA-N 408.527 3.500 0 40 HGAB CCOc1ccc(S(=O)(=O)Nc2ccc(OC)c3ncccc23)cc1NC(C)=O 223261527 MQNRYEFSCJTSIA-UHFFFAOYSA-N 415.471 3.401 0 40 HGAB CCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)COc1ccccc1F 224552571 LXWXBRYNOYQEDF-LJQANCHMSA-N 402.466 3.157 0 40 HGAB CCc1ccc([C@@H](C)NC(=O)CN(C)S(=O)(=O)c2ccc(SC)cc2)cc1 224915494 KHYGZMSRIINLHS-OAHLLOKOSA-N 406.573 3.469 0 40 HGAB Cc1c(Cl)cccc1NC(=O)C(=O)NC[C@@](O)(c1ccsc1)c1ccco1 253473430 UWGKPOAOSGXSBX-LJQANCHMSA-N 404.875 3.294 0 40 HGAB Cc1ccccc1NC(=O)COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1 408605108 MOXDCADUXUCBTH-UHFFFAOYSA-N 402.516 3.433 0 40 HGAB C[C@@H]1C=CC[C@@H]2C(=O)N(c3cccc(C(=O)Nc4ccc(C(=O)O)cc4)c3)C(=O)[C@H]21 408672905 PCVMGCAVISCKDN-VMDGZTHMSA-N 404.422 3.339 0 40 HGAB CCOc1ccc(CNC(=O)C(=O)Nc2ccccc2C(=O)NC2CCCC2)cc1 408709256 QXAOGMRENSQMQI-UHFFFAOYSA-N 409.486 3.013 0 40 HGAB O=C(COC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)Nc1cccc(C(F)(F)F)c1 409128704 KRDYCSBIBXTOOQ-CYBMUJFWSA-N 406.360 3.240 0 40 HGAB CN1C(=O)N/C(=C/c2cn(CC(=O)Nc3ccc(Cl)cc3)c3ccccc23)C1=O 409193849 MHOCTTWDCDLELW-LICLKQGHSA-N 408.845 3.456 0 40 HGAB O=C(CN1C(=O)S/C(=C\c2cccc(Br)c2)C1=O)NCc1ccco1 409200934 KMLXFQDFAQCVAF-ZSOIEALJSA-N 421.272 3.395 0 40 HGAB C[C@]12C[C@@H](c3ccccc3)C[C@](CO)(CC[C@@H](NC(=O)c3cccc(F)c3)[C@@H]1O)O2 585262184 PSDAIBWLOQWOAH-FOJUDVCRSA-N 413.489 3.163 0 40 HGAB Cc1cc(NC(=O)c2nccc3c(S(N)(=O)=O)cccc23)ccc1C(F)(F)F 678146548 FSUWXQHCRQUYMD-UHFFFAOYSA-N 409.389 3.462 0 40 HGAB C[C@@H]1CN(C(=O)Nc2cccc(S(=O)(=O)N3CCCCCC3)c2)C[C@H](C2CC2)O1 1665571104 ZULXBDMYBQEWKD-OXQOHEQNSA-N 421.563 3.283 0 40 HGAB COc1ccc(C2=NN(C(=O)c3ccc(N(C)C)cc3)[C@](O)(C(F)(F)F)C2)cc1 910699 FDOVNVFYWBEARR-LJQANCHMSA-N 407.392 3.262 0 40 HGAB CCCC(=O)Nc1cccc(NC(=O)CSc2nnc(-c3ccncc3)n2C)c1 1338817 QIBHKCIRLUHJPC-UHFFFAOYSA-N 410.503 3.347 0 40 HGAB CCS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1nc2ccc(C)cc2s1 2639336 MUKBPRBVDLIBBP-QGZVFWFLSA-N 415.540 3.320 0 40 HGAB COc1cc(NC(=O)CSCc2nc3sc(C)c(C)c3c(=O)[nH]2)cc(OC)c1 3455388 VZLQIOSAHRKPIC-UHFFFAOYSA-N 419.528 3.491 0 40 HGAB CCOc1ccc2ccccc2c1[C@@H]1NC(=S)NC(C)=C1C(=O)OCCOC 4070117 ZEPYIVVRWJEUJR-LJQANCHMSA-N 400.500 3.221 0 40 HGAB COc1ccc(C(=O)Nc2c3c(nn2-c2ccc(C)cc2)C[S@@](=O)C3)cc1OC 4106300 SZIQKMHUGFDPDV-GDLZYMKVSA-N 411.483 3.213 0 40 HGAB Cc1ccc(-n2ncc3c(=O)n(CC(=O)Nc4cccc(C)c4C)cnc32)cc1C 4166082 UQNLVGBMNGQXRJ-UHFFFAOYSA-N 401.470 3.455 0 40 HGAB Cc1ccc(Cn2nnc3c(SCC(=O)N4CCc5ccccc54)ncnc32)cc1 4268818 TUQQJFNYNGBIPN-UHFFFAOYSA-N 416.510 3.259 0 40 HGAB O=C(Nc1nnc(SCc2ccccn2)s1)[C@H]1CC(=O)N(c2ccccc2)C1 4271781 YRENSKJNKPLNPY-ZDUSSCGKSA-N 411.512 3.217 0 40 HGAB Cc1occc1-c1nnc(S[C@@H](C)C(=O)Nc2ccc3c(c2)OCCO3)n1C 4947810 VQNBRGOIURXDHO-LBPRGKRZSA-N 400.460 3.274 0 40 HGAB O=C(NC12CC3CC(CC(C3)C1)C2)[C@@H]1CCCN(S(=O)(=O)c2cccc(F)c2)C1 4982754 FENQABCFFQTYBU-DQYWGJDHSA-N 420.550 3.311 0 40 HGAB COC(=O)C1=C(CSc2nc3ccccc3[nH]2)NC(=O)N[C@@H]1c1ccc(F)cc1 5072525 KDGVLGXPKYFKCR-QGZVFWFLSA-N 412.446 3.275 0 40 HGAB CSc1ccc(/C=C/C(=O)OCC(=O)Nc2ccccc2C(=O)NC2CC2)cc1 6362997 JULBLYRSYBAACV-MDWZMJQESA-N 410.495 3.496 0 40 HGAB Cc1cc(=O)oc2cc(O[C@@H](C)C(=O)NC[C@@H](O)c3ccccc3)c(Cl)cc12 6659529 SRLHQVPRZXJXJR-SUMWQHHRSA-N 401.846 3.372 0 40 HGAB COc1ccc([C@H]2Nn3c(nnc3-c3ccccc3)S[C@H]2C(=O)N2CCCC2)cc1 6721058 KAWKQZWZZDWTHL-RTBURBONSA-N 421.526 3.335 0 40 HGAB COc1ccc2c(C)c(CCC(=O)Nc3ccc(Cn4cncn4)cc3)c(=O)oc2c1 6764500 YLAXXWGPBQGFSC-UHFFFAOYSA-N 418.453 3.321 0 40 HGAB CCCCn1nc(C(=O)O[C@@H](C(=O)NC2CC2)c2ccccc2)c2ccccc2c1=O 7142937 KABGVZAGCJQWNM-OAQYLSRUSA-N 419.481 3.373 0 40 HGAB Cc1c(C)c(C)c(S(=O)(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)c(C)c1C 7505448 RSHNOAOTYIZWHS-UHFFFAOYSA-N 410.561 3.280 0 40 HGAB COc1cc(S(=O)(=O)NCC2(N3CCCCC3)CCCCC2)ccc1NC(C)=O 8190432 RKJGXEKVJBLCKI-UHFFFAOYSA-N 423.579 3.121 0 40 HGAB Cc1cc(C)n2nc(SCc3nnc(-c4ccc(Br)o4)o3)nc2n1 8621625 AHLSSVGOUKHSBW-UHFFFAOYSA-N 407.253 3.439 0 40 HGAB C[C@H]1C[C@H]1c1ccc(CN(C)C(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)o1 8750070 RSZGKKCQWAGIHC-HNAYVOBHSA-N 402.516 3.460 0 40 HGAB O=C(Cc1csc(NS(=O)(=O)c2ccc(Cl)cc2)n1)NCc1ccco1 9828513 KIYPUUWMSLECQJ-UHFFFAOYSA-N 411.892 3.049 0 40 HGAB O=C(c1ccccc1-n1cnnn1)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1 9882377 ZLPIVUPQZCYNRU-UHFFFAOYSA-N 421.848 3.171 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cccc(C)c3)C2)cc1C 9973994 XZCRABFPXOGADQ-QGZVFWFLSA-N 402.516 3.351 0 40 HGAB CCc1[nH]c(C(=O)NC2CCN(C(=O)Nc3ccccc3)CC2)c(C)c1C(=O)OC 10028861 LSTWZHQLVMUJPU-UHFFFAOYSA-N 412.490 3.098 0 40 HGAB COc1cn(CC(=O)NC2CCCCC2)c(CSc2nc(C)cc(C)n2)cc1=O 10255010 XPXQVANQZMTJKU-UHFFFAOYSA-N 416.547 3.005 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCC(NC(=O)CSCc3ccccc3)CC2)cc1 10566522 MGJKBQCIRLITLQ-UHFFFAOYSA-N 418.584 3.198 0 40 HGAB O=C(OCc1nnnn1-c1ccccc1)c1cc(-c2ccco2)nn1-c1ccccc1 10887596 MEJWFGWLBHUDPC-UHFFFAOYSA-N 412.409 3.465 0 40 HGAB CC1(C)Cc2nc(-c3ccncc3)ncc2[C@@H](NC(=O)C2Oc3ccccc3O2)C1 12221154 GLNLUOMIKMWULQ-KRWDZBQOSA-N 402.454 3.466 0 40 HGAB COc1ccccc1[C@]1(O)CCCN(CC(=O)c2ccc3c(c2)CCCN3C(C)=O)C1 12327858 RKRCFSOQIYRFBS-VWLOTQADSA-N 422.525 3.161 0 40 HGAB COc1cc2oc(=O)cc(C)c2cc1CCC(=O)NCc1noc(-c2ccccc2)n1 12389251 AXYQZDRQQFCSFW-UHFFFAOYSA-N 419.437 3.409 0 40 HGAB biogenic C[C@H](OC(=O)c1cc(S(N)(=O)=O)ccc1Cl)C(=O)c1cccc(Cl)c1 12553371 UXOUVKBJRWPAFG-VIFPVBQESA-N 402.255 3.069 0 40 HGAB COc1ccc(CN(C)S(=O)(=O)c2cccc3cc(C)cnc23)c(OC)c1OC 12645687 JJNAPBQBNNLLBM-UHFFFAOYSA-N 416.499 3.390 0 40 HGAB O=C(CCC(=O)N1CCC(c2ccccc2)=N1)OCc1nc(-c2ccccc2)no1 12746742 IBUYTZXPUAJTTD-UHFFFAOYSA-N 404.426 3.197 0 40 HGAB CCn1c(C)cc(C(=O)N2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)c1C 12753154 IBKMWVDVGPLOHQ-UHFFFAOYSA-N 417.575 3.395 0 40 HGAB CC(=O)N1C[C@@H](C(=O)Nc2ccc(I)cc2)Oc2ccccc21 12994189 OEPVCOVXFDOMRZ-INIZCTEOSA-N 422.222 3.044 0 40 HGAB CN(Cc1nc2ccccc2s1)C(=O)CNC(=O)c1ccc(OC(F)F)cc1 12995798 FWZLZQDHVYSLDX-UHFFFAOYSA-N 405.426 3.286 0 40 HGAB CSCC[C@@H](NC(=O)c1ccccc1)C(=O)N[C@H](C)c1ccc2c(c1)OCCO2 13018933 XQZSCXBMENBFQC-CRAIPNDOSA-N 414.527 3.187 0 40 HGAB Cc1ccccc1NC(=O)Cn1cnc2c(oc3nc4c(cc32)COC(C)(C)C4)c1=O 13135683 WTBRDNABGOHCQO-UHFFFAOYSA-N 418.453 3.336 0 40 HGAB CCN1CCC2(CC1)OCCN2C(=O)c1cc(-c2ccc(Br)cc2)on1 13730095 GTUGITYQUQSYPW-UHFFFAOYSA-N 420.307 3.389 0 40 HGAB CCn1c(CC(=O)Nc2ccc(C)cc2)nnc1S[C@@H](C)C(=O)NC1CCCC1 13956621 CEBBNHBSUPYAHW-HNNXBMFYSA-N 415.563 3.327 0 40 HGAB Cc1cc(N2C(=O)[C@H]3[C@@H]4CC[C@@H](O4)[C@@H]3C2=O)nn1Cc1ccc(Cl)cc1Cl 13960196 VNQCGRGVWMGPII-FSDCSDTHSA-N 406.269 3.213 0 40 HGAB COc1ccc(NC(=O)c2ccncc2)cc1NS(=O)(=O)c1ccc(F)cc1 15900846 JZKNDFHGSFMXAD-UHFFFAOYSA-N 401.419 3.282 0 40 HGAB CCC(=O)N1CCN(c2ccccc2NC(=S)NC(=O)c2ccccc2C)CC1 17088587 FEZMHFMWMIJFLN-UHFFFAOYSA-N 410.543 3.180 0 40 HGAB COc1ccccc1[C@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 17793409 WIQIWEWFZIXPOM-KRWDZBQOSA-N 416.543 3.282 0 40 HGAB Cc1cc2nccc([C@@H]3CCCN3C(=O)CCn3nc(C(F)(F)F)cc3C)n2n1 19130700 NEJXXEFBJPHPFX-AWEZNQCLSA-N 406.412 3.315 0 40 HGAB O=C(COc1ccc2c(c1)OCO2)N1CCC[C@H](c2nnc(-c3ccsc3)o2)C1 19346240 VPGAELSSIFPILW-ZDUSSCGKSA-N 413.455 3.312 0 40 HGAB CC(C)OCCN1CCN(C(=O)c2cc(-c3ccncc3)nc3ccccc23)CC1 19450450 CGIQLYUXPWLRNA-UHFFFAOYSA-N 404.514 3.480 0 40 HGAB CC1(C)NC(=O)N(Cc2ccc(NC(=O)c3ccc(N4CCCC4)cc3)cc2)C1=O 19460188 HWKKNZBPUZOSPH-UHFFFAOYSA-N 406.486 3.370 0 40 HGAB COc1ccccc1C(=O)N1CCC[C@H](c2cc(N(C)C)nc(-c3cnccn3)n2)C1 19584674 BHAWXLUJZWIERB-INIZCTEOSA-N 418.501 3.028 0 40 HGAB COc1ccc(CCC(=O)N2CCO[C@@H](c3ccc(-c4cncnc4)cn3)C2)cc1 19692534 ZLKWBBAQGFHTTJ-JOCHJYFZSA-N 404.470 3.080 0 40 HGAB CNc1nc([C@H]2CCCN2C(=O)CCc2c[nH]c3ccccc23)nc2c1CCN(C)C2 19707511 PBCZJVKJSOKYCT-OAQYLSRUSA-N 418.545 3.284 0 40 HGAB CCOC(=O)c1c(NC(=O)CN2CCN(Cc3ccccc3)CC2)sc(C)c1C 20027097 GGVOXCMJJBEUOG-UHFFFAOYSA-N 415.559 3.298 0 40 HGAB Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1cccs1)N(CCCN1CCOCC1)C3=O 20308244 XGOVHHYCQCDRQE-HXUWFJFHSA-N 424.522 3.430 0 40 HGAB Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCCCC4)nc(N)c32)c(Cl)c1 20799985 OLPTZZVZLAJYGG-GFCCVEGCSA-N 414.897 3.075 0 40 HGAB Cc1csc(CNC(=O)c2ccccc2NS(=O)(=O)c2ccc(F)cc2)n1 21022119 OYOPEVNFJHLPQP-UHFFFAOYSA-N 405.476 3.321 0 40 HGAB CC(=O)c1c(C)[nH]c(C(=O)CN2CCN(Cc3nc4ccccc4s3)CC2)c1C 22780008 FAOAJPWDHJORMB-UHFFFAOYSA-N 410.543 3.444 0 40 HGAB Cc1ccc([C@@H](CNC(=O)COc2ccc(Cl)c(C)c2)N2CCN(C)CC2)o1 22938384 CTLRSUYJRJLORX-LJQANCHMSA-N 405.926 3.034 0 40 HGAB CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NCCCN2CCCCC2)c1 23416676 SYRCMHIBWORRKL-UHFFFAOYSA-N 415.559 3.118 0 40 HGAB COc1ccc(C(=O)N[C@H](CN2CCOCC2)c2ccccc2)cc1Br 24178041 LZIITFOJVBXAOV-GOSISDBHSA-N 419.319 3.261 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)Nc2ccc(N3CCCC3)nc2)c1 24259482 BCMPJBOYXZMHOR-UHFFFAOYSA-N 416.547 3.273 0 40 HGAB Cc1cccc(NC(=O)CN(C)S(=O)(=O)c2cccc(OC(F)(F)F)c2)c1C 24751465 MUZSQQOAMPREBW-UHFFFAOYSA-N 416.421 3.461 0 40 HGAB Cc1cc(N2CCN([C@H](C)C(=O)Nc3cc(F)ccc3F)CC2)nc(C(C)C)n1 24830055 QADYMBOQPGQINC-OAHLLOKOSA-N 403.477 3.336 0 40 HGAB COc1ccc([C@H]2CCCN2C(=O)c2ccc(CS(C)(=O)=O)cc2)cc1OC 25878485 ZULGEQBZXBCNNO-GOSISDBHSA-N 403.500 3.226 0 40 HGAB Cc1ccc2c(C)c(CCC(=O)Nc3ccc4c(c3)C(=O)N(C)C4=O)c(=O)oc2c1 27450826 PLLOIZQUVJJJDO-UHFFFAOYSA-N 404.422 3.207 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)Nc2cccc(C(C)=O)c2)c(C)c1 28207737 RMUVECIYUWTJOU-UHFFFAOYSA-N 418.515 3.246 0 40 HGAB CN1C(=O)c2ccc(C(=O)Nc3nc(-c4ccc5c(c4)OCCO5)cs3)cc2C1=O 28641527 QBEGGDUUIQAXLO-UHFFFAOYSA-N 421.434 3.059 0 40 HGAB O=C(Nc1cccc(C(=O)N2CCCC2)c1)[C@H]1CCCN(C(=O)c2cccs2)C1 29281142 YIXXXEFHFMEUAV-KRWDZBQOSA-N 411.527 3.475 0 40 HGAB Cc1ccc(CCC2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)cc1 29372936 AJHHJNJKYWGMKP-UHFFFAOYSA-N 414.527 3.359 0 40 HGAB COc1ccc(C(=O)OCC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)c(O)c1 30022230 HUNUBMGBAKZFHE-UHFFFAOYSA-N 407.426 3.259 0 40 HGAB CCOc1ccc(-c2noc(CCC(=O)NCc3ccnc(N4CCCC4)c3)n2)cc1 30610273 WSXGVSJUUOIDME-UHFFFAOYSA-N 421.501 3.380 0 40 HGAB NC(=O)CCN(Cc1ccccc1)C(=O)CN1CCCc2cc(C(F)(F)F)ccc21 32810002 GPKDGAHTWSQLBD-UHFFFAOYSA-N 419.447 3.362 0 40 HGAB CCN(Cc1nc(COc2ccc(OC)cc2)no1)C[C@H]1COc2ccccc2O1 32868771 UQXUYLSCIHIGHQ-SFHVURJKSA-N 411.458 3.319 0 40 HGAB Cn1ncc2c(SCC(=O)N3CCC(c4nc5ccccc5s4)CC3)ncnc21 32883941 PJHOEOSMMDDXGB-UHFFFAOYSA-N 424.555 3.471 0 40 HGAB COC(=O)c1ccc(CN2C(=O)S/C(=C/c3cc(OC)c(O)c(OC)c3)C2=O)o1 33499333 PKMQYYLVMAWNNA-OVCLIPMQSA-N 419.411 3.026 0 40 HGAB CCc1ccc2[nH]c3nc(SCC(=O)NCc4ccc(OC)cc4)nnc3c2c1 35289267 HKNSQSQYRCFACV-UHFFFAOYSA-N 407.499 3.486 0 40 HGAB COc1ccc(C)cc1NC(=O)[C@H](c1ccccc1)N1CCN(C(=O)C2CC2)CC1 35307265 WTNXVNQHIKVPPN-QFIPXVFZSA-N 407.514 3.238 0 40 HGAB Cc1ccc(N2C[C@H](C(=O)NCCc3cnn(-c4ccccc4)c3)CC2=O)cc1F 36392658 XUTYPGBOELFLJH-GOSISDBHSA-N 406.461 3.032 0 40 HGAB Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)OC(=O)c1ccc2ncsc2c1 39640223 BDURTNOEBZURDS-AWEZNQCLSA-N 411.483 3.213 0 40 HGAB CCN(CC(=O)Nc1cccc(SC)c1)S(=O)(=O)c1cc(C)ccc1OC 39985690 NZBPRPGLJBUIGK-UHFFFAOYSA-N 408.545 3.375 0 40 HGAB O=C(Nc1cnc(-c2ccccc2)nc1)[C@@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 40091060 UEAUGNWWTHAXKZ-RBUKOAKNSA-N 422.485 3.064 0 40 HGAB CC(C)Cn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(C(F)(F)F)cc2)c1=O 40478633 WBKVYKYMVWALBG-UHFFFAOYSA-N 419.403 3.477 0 40 HGAB COCc1nn2c(=O)cc(COC(=O)C(c3ccccc3)c3ccccc3)nc2s1 41078218 IFCSYILLERVUAU-UHFFFAOYSA-N 421.478 3.173 0 40 HGAB NC(=O)[C@H](OC(=O)c1ccc(Cl)c(I)c1)c1ccccc1 46466397 PTWXAPXIIJIYSG-CYBMUJFWSA-N 415.614 3.328 0 40 HGAB CN(C)S(=O)(=O)c1ccc(C(=O)NCc2ccccc2OCc2ccccc2)o1 46500409 VBVLRYCGCIMBSG-UHFFFAOYSA-N 414.483 3.039 0 40 HGAB COc1ccc(S(=O)(=O)N(C)c2ccc(Br)cc2F)cc1OC 57014555 YKRVQMYVVFCUIR-UHFFFAOYSA-N 404.257 3.431 0 40 HGAB CCCCn1c(=O)c2sccc2n(CC(=O)Nc2ccc(OCC)cc2)c1=O 57427105 HCDLZIPCKOQLTM-UHFFFAOYSA-N 401.488 3.062 0 40 HGAB Cn1cnc(S(=O)(=O)N2CCC[C@H](c3cccc(-c4ccc(F)cc4)n3)C2)c1 72350310 JYDPPZKCWAWNOM-INIZCTEOSA-N 400.479 3.190 0 40 HGAB CCc1nnsc1C(=O)N1CCC[C@@H](c2cc(-c3ccc(N)nc3)cc(C)n2)C1 72353696 PAKSJTYAXWCPFC-OAHLLOKOSA-N 408.531 3.468 0 40 HGAB CC(C)(O)C(=O)N1CC[C@@H](c2cc(CCOc3cccc(C(F)(F)F)c3)[nH]n2)C1 72371618 SNJXFXCOMBDIKZ-CYBMUJFWSA-N 411.424 3.137 0 40 HGAB CC(C)C(=O)Nc1nc(CC(=O)Nc2ccccc2N2CCC(CO)CC2)cs1 89775736 DEEPJIOZPFOSRF-UHFFFAOYSA-N 416.547 3.128 0 40 HGAB CN1CCN(c2ccc(C(=O)OCC3CCN(CC(F)(F)F)CC3)cc2F)CC1 95456268 XGQOQGDWLDVJDG-UHFFFAOYSA-N 417.447 3.009 0 40 HGAB O=C(Nc1cccc2[nH]ccc12)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 95475133 ITBBBVPOMITDCI-UHFFFAOYSA-N 401.463 3.346 0 40 HGAB COC(=O)[C@@H](NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(F)c(Cl)c1)C(C)C 96791778 GOURJLVEOCLTSZ-DOTOQJQBSA-N 408.861 3.057 0 40 HGAB C[C@@H](OC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1)C(=O)c1ccccc1 100603682 CLBCBECJYCOTRF-WFUUAIFHSA-N 415.445 3.426 0 40 HGAB COCCCn1c(C)cc(C(=O)COC(=O)C23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)c1C 102258335 WVNLLLCWCPDQPW-YUOVDFJASA-N 403.519 3.199 0 40 HGAB CSCC[C@H](C(=O)N[C@@H](C)[C@@H]1C[C@H]2CC[C@H]1C2)N1C(=O)c2ccccc2C1=O 102261347 OOYIRTLAQXDRPN-UNTXSKPGSA-N 400.544 3.345 0 40 HGAB CC[C@@H](NC(=O)COc1ccc(N(C)S(C)(=O)=O)cc1)c1ccc(C)cc1C 222732985 HTWPROYRVNXIGH-HXUWFJFHSA-N 404.532 3.346 0 40 HGAB CCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)COc1ccccc1OC 222887222 LBVJEYQSLUEKTH-OAHLLOKOSA-N 404.894 3.281 0 40 HGAB CN(C)S(=O)(=O)c1ccc(CCC(=O)NCc2ccc(Cl)cc2Cl)cc1 223043621 FODPZXINGVDGLN-UHFFFAOYSA-N 415.342 3.493 0 40 HGAB Cc1ccc(N(CC(=O)N[C@@H](C)c2ccc3c(c2)CCC3)S(C)(=O)=O)cc1C 223166615 ZGKUMVPEFFSQKG-KRWDZBQOSA-N 400.544 3.436 0 40 HGAB CS(=O)(=O)N(CC(=O)NCCSC1CCCC1)c1ccc(F)c(Cl)c1 223745384 BWKGOVCZZLZPFT-UHFFFAOYSA-N 408.948 3.037 0 40 HGAB Cc1ccc(S(=O)(=O)N(C)c2cc(C(=O)NCc3cccnc3)ccc2C)cc1 224307923 AYOJKNYAECFYAO-UHFFFAOYSA-N 409.511 3.454 0 40 HGAB O[C@H](CN1CCC[C@](O)(c2ccc(F)cc2)CC1)c1ccc2c(c1)OCCCO2 247758498 FXGUBIVSHDAYFI-NFBKMPQASA-N 401.478 3.394 0 40 HGAB CCN(CC)C(=O)c1c[nH]nc1[C@@H]1CCCN(C(=O)CCc2ccccc2F)C1 257291974 QJLVPLWMYZAQOU-QGZVFWFLSA-N 400.498 3.370 0 40 HGAB Cc1ccc(OC[C@@H](O)CN(C)Cc2ccc(OCc3nccn3C)cc2)c(C)c1 257315015 UZNKRNMOOGIIAT-NRFANRHFSA-N 409.530 3.488 0 40 HGAB CN1CCC(n2ncc3c2-c2ccccc2OC32CCN(C(=O)C3CC3)CC2)CC1 306123666 ATJILSVECRKUOV-UHFFFAOYSA-N 406.530 3.437 0 40 HGAB O=C(O)CCN1C(=O)[C@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 408661516 QSEBJCNCFBLPRS-FBIZOPLVSA-N 416.260 3.054 0 40 HGAB O=C(Nc1ccccc1N1CCc2ccccc21)NC1CCC2(CC1)NC(=O)NC2=O 562088775 HZDJVKRCAKIQIP-UHFFFAOYSA-N 419.485 3.023 0 40 HGAB Cn1cc([C@H]2[C@H](CNC(=O)[C@H]3C[C@H]3c3ccc(F)cc3)CC(=O)N2C(C)(C)C)cn1 583621880 KEFSVENYZIEBAN-LDBRAYGESA-N 412.509 3.167 0 40 HGAB COCC(=O)N1CCC[C@](O)(c2nc(C)c(CCOc3ccccc3F)s2)CC1 607854128 QVMWIPOJNJOGKG-OAQYLSRUSA-N 422.522 3.059 0 40 HGAB CCCn1c(=O)c2ccccc2n(Cc2nc(-c3cccc(OCC)c3)no2)c1=O 823391923 UCRUAHRKUPFPJA-UHFFFAOYSA-N 406.442 3.070 0 40 HGAB Cc1nn(Cc2ccccc2Cl)c(C)c1NC(=O)[C@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C(=O)O 2764600 ZGVJDVGMFDKWHA-YVSFHVDLSA-N 403.866 3.018 0 40 HGAB COC(=O)c1c(NC(=O)COC(=O)c2ccc(O)cc2)sc2c1CCCCC2 3249951 UXBDJKKPRKBRLL-UHFFFAOYSA-N 403.456 3.305 0 40 HGAB COc1ccc(CCN2C[C@H](C(=O)N[C@@H]3CCCc4ccccc43)CC2=O)cc1OC 3413778 ONCHBCXBLZWPMI-TZIWHRDSSA-N 422.525 3.289 0 40 HGAB CC1CCN(CC(=O)NCCN2C(=O)S/C(=C\c3ccccc3Cl)C2=O)CC1 3538735 GWFBQCGMTDVKBY-ATVHPVEESA-N 421.950 3.224 0 40 HGAB O=C(c1cccs1)[C@H]1[C@H](c2ccc(F)cc2)NC(=S)N[C@]1(O)C(F)(F)F 4387920 STEYOCFEPKCBKG-TYNCELHUSA-N 404.410 3.156 0 40 HGAB O=C(C[C@@]1(O)C(=O)N(CCc2ccccc2)c2ccccc21)c1ccc2c(c1)OCO2 4553481 WECLRVHTLBFMSO-VWLOTQADSA-N 415.445 3.465 0 40 HGAB CCOc1ccc([C@@H](C(=O)NC(C)(C)C)N(C(=O)c2csnn2)C2CC2)cc1 4965046 KXNZTFDVUYUDOZ-KRWDZBQOSA-N 402.520 3.197 0 40 HGAB CC[C@H]1CN(S(=O)(=O)c2ccc(OC)cc2)CC[C@H]1CC(=O)Nc1nccs1 5415197 RZULTOIBDAEGPK-GJZGRUSLSA-N 423.560 3.217 0 40 HGAB biogenic,in-vitro COc1ccc(S(=O)(=O)N2CCc3cc4c(cc3[C@H]2C)OCCCO4)cc1OC 5428040 VQHWTRMLBYHCQJ-CQSZACIVSA-N 419.499 3.173 0 40 HGAB C[C@@H](Sc1nc(-c2cccs2)n[nH]1)C(=O)Nc1ccc(N2CCOCC2)cc1 6035447 HUEHXYBNPOTYKM-CYBMUJFWSA-N 415.544 3.489 0 40 HGAB COc1cc(=O)oc(/C=C/C=C/C=C\C(C)=C/[C@@]2(C)O[C@@H](C)[C@](C)(O)[C@H]2O)c1C 6483587 JLSVDPQAIKFBTO-JKGZBEHFSA-N 402.487 3.318 0 40 HGAB Cc1ccccc1NC(=O)COC(=O)c1ccccc1SCC(=O)NC(C)C 6881415 ALUVIVUNFZACEL-UHFFFAOYSA-N 400.500 3.407 0 40 HGAB O=C([C@@H]1CC(=O)N(c2ccccc2F)C1)N1CCN(c2cccc(Cl)c2)CC1 7106205 ADFOHRUKKUMHJX-OAHLLOKOSA-N 401.869 3.181 0 40 HGAB Cn1c(COc2ccccc2Cl)nnc1SCC(=O)NCc1ccccc1 7236123 FCFYEWCPKMNIMT-UHFFFAOYSA-N 402.907 3.456 0 40 HGAB COc1ccccc1NC(=O)[C@H](C)OC(=O)C1CCN(C(=O)c2cccs2)CC1 7594863 GSYWPPFKANQFJS-AWEZNQCLSA-N 416.499 3.179 0 40 HGAB O=C1CCc2cc(S(=O)(=O)NCCSCc3ccc(Cl)cc3)ccc2N1 7700193 KHVQHYZVESIGFH-UHFFFAOYSA-N 410.948 3.436 0 40 HGAB Cc1cc(N2CCN(C(=O)/C=C/c3ccc4c(c3)OCCCO4)CC2)nc(C(C)C)n1 8312224 SKYSCEKRRBJXQQ-SOFGYWHQSA-N 422.529 3.432 0 40 HGAB O=C(CC[C@H]1N=C2c3ccccc3NC(=S)N2C1=O)NCc1cccc(Cl)c1 8381987 LULSTIQEAHVZKF-MRXNPFEDSA-N 412.902 3.104 0 40 HGAB CC(=O)c1cccc(NC(=O)COC(=O)CCC(=O)Nc2ccc(Cl)cc2)c1 8414642 NSYDYUABVNLTCE-UHFFFAOYSA-N 402.834 3.443 0 40 HGAB CCCn1nnnc1CSc1nnc(-c2ccc3c(c2)OCO3)n1-c1ccccc1 9206387 YEUCSFHBFKMFHN-UHFFFAOYSA-N 421.486 3.352 0 40 HGAB O=C(COC(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1)NC[C@@H]1CCCO1 9597119 MVEPIBJLYUDXQF-HNNXBMFYSA-N 423.391 3.296 0 40 HGAB CCn1cc(C(=O)Nc2nnc(C(C)C)s2)c2nn(-c3ccccc3)c(=O)c-2c1 9661404 IEUUKIZVBSUENW-UHFFFAOYSA-N 408.487 3.386 0 40 HGAB COc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(OC)c(C)c3)C2)cc1 9974543 IXFGYHGDVDCLSO-MRXNPFEDSA-N 418.515 3.052 0 40 HGAB Cc1ccc(S(C)(=O)=O)cc1NC(=O)C1CCN(c2nc3ccccc3o2)CC1 10365841 WRIANLHVRHQULT-UHFFFAOYSA-N 413.499 3.395 0 40 HGAB COc1ccc(OC[C@@H](C)NC(=O)c2ccccc2I)cc1 10542562 JNBSPFYTWWRINW-GFCCVEGCSA-N 411.239 3.497 0 40 HGAB Cc1cccc(N2N=C(C(=O)Nc3nc4cc5c(cc4s3)OCCO5)CCC2=O)c1 11751226 NNKGOEVNKRQBEZ-UHFFFAOYSA-N 422.466 3.497 0 40 HGAB O=C(CSc1ncnc2c1nnn2Cc1ccc(F)cc1)N1CCc2ccccc21 11758464 CDHQGNCTWPMHLQ-UHFFFAOYSA-N 420.473 3.090 0 40 HGAB CCc1ccccc1N1C[C@H](C(=O)O[C@H](C)C(=O)N(C)C2CCCCC2)CC1=O 12095883 MYRVXSXDHQOSBW-SJLPKXTDSA-N 400.519 3.325 0 40 HGAB Cc1ccsc1CN(C(=O)COc1c(C)cccc1C)[C@H]1CCS(=O)(=O)C1 12111570 YXIHNQHVDQZTIZ-KRWDZBQOSA-N 407.557 3.268 0 40 HGAB O=C(N[C@H]1CCCc2c1cnn2-c1ccc(F)cc1)[C@@H]1CCCN1C(=O)C(F)(F)F 12146036 DRKWQLPTHGXUNL-RDJZCZTQSA-N 424.398 3.058 0 40 HGAB O=c1c2ccccc2nc(CS[C@H]2CCS(=O)(=O)C2)n1-c1ccccc1Cl 12360121 PSLOLAKUHDDNHH-ZDUSSCGKSA-N 420.943 3.459 0 40 HGAB Cc1ccc(CNC(=O)N2CCN(CC(=O)Nc3cccc(C)c3C)CC2)cc1F 12809955 XPIPBBBVVIXAGY-UHFFFAOYSA-N 412.509 3.217 0 40 HGAB Cc1ccc(OCc2ccc(C(=O)NN3C(=O)N[C@@](C)(c4ccccc4)C3=O)o2)cc1 12923090 DWBRSGSAGDJQKA-QHCPKHFHSA-N 419.437 3.279 0 40 HGAB C[C@@H](OC(=O)c1ccc(Cl)c(S(C)(=O)=O)c1)C(=O)NC1CCCCCC1 12954362 PCWOVAAAQMOHSY-GFCCVEGCSA-N 401.912 3.128 0 40 HGAB C[C@]1(c2ccccc2)NC(=O)N(CC(=O)N(Cc2ccco2)Cc2cccs2)C1=O 13017659 WIOQWLCYRXDOGE-JOCHJYFZSA-N 423.494 3.337 0 40 HGAB CC(=O)c1sc2nc(CN(C)CC(=O)Nc3ccc(Cl)cc3)[nH]c(=O)c2c1C 13061843 KZWGTRKQLSITSR-UHFFFAOYSA-N 418.906 3.220 0 40 HGAB COC(=O)c1ccc(S(=O)(=O)NCc2ccc(COCC(F)(F)F)cc2)cc1 14099704 DKCAWZKVHLILTE-UHFFFAOYSA-N 417.405 3.031 0 40 HGAB C[C@@H](NC(=O)CSc1nnc(-c2ccncc2)n1C1CC1)c1ccc2c(c1)OCO2 14126046 IDGHZEFMFVCMLV-CYBMUJFWSA-N 423.498 3.373 0 40 HGAB CN(Cc1nc2ccccc2s1)C(=O)CCn1nc(-c2cccs2)oc1=O 14170671 BGFSABLAZDRLSM-UHFFFAOYSA-N 400.485 3.223 0 40 HGAB COc1ccccc1C(=O)N1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1 14245342 INDSXRPFBPXVOM-UHFFFAOYSA-N 421.419 3.111 0 40 HGAB C[C@H](NC(=O)CN1C(=O)c2ccccc2S1(=O)=O)c1ccc(-c2ccccc2)cc1 15186844 UPIKULHVGUKNRU-INIZCTEOSA-N 420.490 3.376 0 40 HGAB O=C(C[C@@H]1CCNC[C@@H]1Cc1cc(COc2ccccc2)on1)NCc1cccnc1 15673605 GUASAMPWIAKIBX-PMACEKPBSA-N 420.513 3.123 0 40 HGAB biogenic,in-vitro Cc1cccc(C)c1OC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c1 18007891 DPKWAMFWGODMNM-CALCHBBNSA-N 403.500 3.321 0 40 HGAB Cc1ccc2c(c1)C(=O)N([C@@H](C)C(=O)N1CCCC[C@H]1C)CC1(CCN(C)CC1)O2 19218372 XYFMLXJANBFNIQ-MOPGFXCFSA-N 413.562 3.084 0 40 HGAB CCc1c(C)sc2ncn([C@@H]3CCCN(CC(=O)NC4CCCC4)C3)c(=O)c12 19521818 GEKWSMMAPHRLRF-MRXNPFEDSA-N 402.564 3.025 0 40 HGAB COc1ccccc1N1C[C@@H](c2cc(=O)[nH]c(NCc3ccc(F)cc3)n2)CC1=O 19571103 LNVRALVJRHNCHA-HNNXBMFYSA-N 408.433 3.050 0 40 HGAB COc1ccc(CN2CCC(C(=O)N3CC[C@](O)(c4ccc(C)cc4)C3)CC2)cc1 19661228 HAXXZNQEEAXHPA-RUZDIDTESA-N 408.542 3.336 0 40 HGAB CNC(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CCN(C(=O)Cc2ccc(F)cc2)C1 19696026 WIOVIGXOHUXRHF-XMMPIXPASA-N 421.472 3.231 0 40 HGAB Cc1nc([C@H]2CCN(C(=O)c3cc[nH]n3)C2)ncc1C(=O)Nc1ccc(Cl)cc1 19754108 DQUCRIXPRJJAHU-ZDUSSCGKSA-N 410.865 3.044 0 40 HGAB O=C(N[C@@]1(C(F)(F)F)N=C(c2ccccc2)N(C2CCCC2)C1=O)c1ccco1 19938867 YTGOATMIIFEOCC-IBGZPJMESA-N 405.376 3.500 0 40 HGAB Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1ccccc1)N(CCN1CCOCC1)C3=O 20308706 XTADHBKGXDNSIR-QFIPXVFZSA-N 418.493 3.287 0 40 HGAB C[C@@H]1[C@@H](NC(=O)C2CC2)CC[C@]2(C)CC[C@H]([C@H](C)C(=O)N3CCCCC3)[C@H](O)[C@@H]12 20466686 ZJCRABAUDFNZHR-ILRDCQBQSA-N 404.595 3.353 0 40 HGAB biogenic,in-vitro COc1ccccc1CN(C)C(=O)[C@H](C)N(c1cccc(Cl)c1)S(C)(=O)=O 20493276 FNNTWVGWOACYMP-AWEZNQCLSA-N 410.923 3.162 0 40 HGAB Cc1ccc(N2C(=O)/C(=C/NCCCN3CCOCC3)c3ccccc3C2=O)c(C)c1 20518826 SVFIMMMFDKRZEG-OQKWZONESA-N 419.525 3.143 0 40 HGAB COCc1c(-c2nnc(-c3cccnc3)o2)nnn1-c1ccc(Br)cc1 20745675 HSWDNRYNPYLJJB-UHFFFAOYSA-N 413.235 3.288 0 40 HGAB CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)c2cncn2-c2ccc(F)cc2)cc1 21653651 YQMTVKXKZDOKJA-UHFFFAOYSA-N 416.478 3.293 0 40 HGAB C[C@H]1C[C@@H](C)CN(Cc2csc(NC(=O)c3cccc(CS(C)(=O)=O)c3)n2)C1 22295078 IFFXFOMOZVGDEG-GASCZTMLSA-N 421.588 3.418 0 40 HGAB CCCOc1ccc(N(CC(=O)N[C@H](C)c2ccc(OC)cc2)S(C)(=O)=O)cc1 22397430 IAOMGWVWMGGROR-MRXNPFEDSA-N 420.531 3.127 0 40 HGAB O=C(COc1ccc(Cl)cc1Cl)N1CCN(Cc2ccc3c(c2)OCO3)CC1 24081650 JRHFUGQGMSBDAM-UHFFFAOYSA-N 423.296 3.445 0 40 HGAB CCOc1ccc(C(=O)CCC(=O)Nc2cc(S(=O)(=O)CC)ccc2O)cc1 24153003 CEASVKWSPTWCHJ-UHFFFAOYSA-N 405.472 3.186 0 40 HGAB O=C(CCCn1c(=O)oc2ccccc21)N1CCN(Cc2cccc(Cl)c2)CC1 24715810 YQTPEYVUCMISIB-UHFFFAOYSA-N 413.905 3.373 0 40 HGAB Cc1cc(C)c2oc(C(=O)NC[C@H](c3ccccc3)N3CCOCC3)cc(=O)c2c1 28289793 QDXKQCSXYCCYKN-HXUWFJFHSA-N 406.482 3.213 0 40 HGAB CC(C)[C@@H](CNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)Nc1ccccc1 32902236 VFIQJPZFVUWWRA-OAQYLSRUSA-N 415.559 3.338 0 40 HGAB CC(C)(C)NC(=O)[C@@H](c1cccnc1)N(C(=O)[C@H]1CSC(=O)C1)C1CCCC1 35313983 BPJLGLQYWWCGNK-CRAIPNDOSA-N 403.548 3.088 0 40 HGAB O=C(Cn1c2ccccc2n2c(=O)cc(-c3ccc(F)cc3)nc12)NCc1ccco1 40485241 UHOJXHNSAPHESX-UHFFFAOYSA-N 416.412 3.365 0 40 HGAB CS(=O)(=O)N1CC[C@@H](C(=O)NCCCc2ccccc2Cl)Oc2ccccc21 44906314 JAPDLIGBDOMMIV-IBGZPJMESA-N 422.934 3.006 0 40 HGAB COCCN1C(=O)c2ccccc2[C@@H](C(=O)Nc2nncs2)C12CCCCC2 49549949 KUZNEHJOFYWZEN-INIZCTEOSA-N 400.504 3.066 0 40 HGAB NC(=O)CC[C@@H]1CCCN(C(=O)c2ccc(Cl)c(I)c2)C1 60373797 HNJPIQIYVQMMDF-JTQLQIEISA-N 420.678 3.062 0 40 HGAB NC(=O)CC[C@@H]1CCCN(C(=O)c2cc(Cl)ccc2I)C1 60373799 IRTVIHUQXQCGBA-JTQLQIEISA-N 420.678 3.062 0 40 HGAB O=C(NC1CCCC1)[C@@H]1CN(S(=O)(=O)c2ccccc2)c2cc(Cl)ccc2O1 64985644 VXOXIFXUIAVSJP-IBGZPJMESA-N 420.918 3.355 0 40 HGAB CCCc1cc(N2CCC3(CC2)C[C@H]3c2nc(-c3cccnc3)no2)n2ncnc2n1 69949828 ZZJGQQMHBLQMAC-KRWDZBQOSA-N 416.489 3.296 0 40 HGAB Cc1nn([C@H]2CCS(=O)(=O)C2)c2c1[C@H](c1cccc(OC(C)C)c1)CC(O)=N2 71281722 QPLFKMISAPXYEK-RDJZCZTQSA-N 403.504 3.462 0 40 HGAB Cc1ccc(NC(=O)Cc2nnc(S[C@@H](C)C(=O)Nc3cccnc3)n2C)cc1C 72191628 JJUXAUZBRKABKI-HNNXBMFYSA-N 424.530 3.127 0 40 HGAB COc1ccccc1C1=NN(C(=O)CCC(=O)O)[C@@H](c2cccc3nccnc23)C1 72314689 FJLSNVJDQNQOAO-GOSISDBHSA-N 404.426 3.181 0 40 HGAB CC[C@@H]1Oc2ccc([C@@H](O)c3ccco3)cc2N(CC(=O)N2CCC(C)CC2)C1=O 72343102 HGQWXJBEKCQPOV-PGRDOPGGSA-N 412.486 3.124 0 40 HGAB Cc1ccc2nc([C@@H]3CCCCN3C(=O)Cc3nc4nc(C)cc(C)n4n3)[nH]c2c1 72346791 JKDAXEZXVUMGSD-SFHVURJKSA-N 403.490 3.222 0 40 HGAB COc1ccc2nnc(CCC(=O)NCCC(c3ccccc3)c3ccccc3)n2n1 79492268 CJJUDFSXPWAVIC-UHFFFAOYSA-N 415.497 3.404 0 40 HGAB CC(C)c1ccc(-c2noc(CCC(=O)NCCCCN3CCC[C@H]3CO)n2)cc1 95447916 IQUFVPOPSDAEKJ-FQEVSTJZSA-N 414.550 3.146 0 40 HGAB CSCC[C@@H](Nc1nc(C)cc(C)n1)C(=O)N1CCN(c2ccc(F)cc2)CC1 95472761 AFLLBUOLTDZDOX-LJQANCHMSA-N 417.554 3.115 0 40 HGAB CCOc1cc([C@H](N)c2nc(-c3cc(Br)ccc3O)n[nH]2)ccc1OC 95534422 LEAMCMLSQLKFQQ-INIZCTEOSA-N 419.279 3.395 0 40 HGAB C/C=C/c1ccc(OC[C@@H](O)CNC[C@H](c2ccc(OC)cc2)N(C)C)c(OC)c1 96311017 YSQGJSKNXKXPMX-OLZGAQIHSA-N 414.546 3.369 0 40 HGAB CCCCCCNc1nc(OCC)nc(N2C[C@@H]3C[C@@H](C2)c2cccc(=O)n2C3)n1 100146491 AEXCLJJJWZXATB-IRXDYDNUSA-N 412.538 3.048 0 40 HGAB CCOCCn1/c(=N/C(=O)c2ccc(S(C)(=O)=O)cc2)sc2cc(F)ccc21 101042142 GRGCJEYZXRZLGC-VZCXRCSSSA-N 422.503 3.023 0 40 HGAB COc1ccc(NC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1 101420856 CJRBEPKBGJUMOY-NXQKYAITSA-N 416.477 3.052 0 40 HGAB Cc1nn(-c2nc3ccccc3o2)c(O)c1[C@@H]1CC(=O)N(c2ccc(F)cc2)C1=O 101983796 FYVLLCHRIGBYKP-AWEZNQCLSA-N 406.373 3.214 0 40 HGAB Cc1ccccc1N1C(=O)C[C@H](c2c(C)nn(-c3nc4ccccc4o3)c2O)C1=O 101983814 YCBZXBTZHAFZTG-CQSZACIVSA-N 402.410 3.383 0 40 HGAB CCOC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccc(F)cc1 113876589 YRCDJMFQOMSAJD-UHFFFAOYSA-N 416.268 3.347 0 40 HGAB CC[C@@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)COc1ccccc1Cl 223403908 JTVBHOBOSBHFBU-SFHVURJKSA-N 404.894 3.281 0 40 HGAB Cc1ccc(OCCNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cc1Cl 224172815 NZWNDDFKWPSVLH-UHFFFAOYSA-N 422.934 3.242 0 40 HGAB CC[C@H](C(=O)NCCOCc1ccccc1)N(c1cccc(Cl)c1)S(C)(=O)=O 224301503 ZAZKDLQIKVAXAR-LJQANCHMSA-N 424.950 3.218 0 40 HGAB CCN(Cc1ccc(C(=O)NC[C@@H]2CCCO2)cc1)S(=O)(=O)c1ccc(C)cc1 224455562 NWTXCNKTTXPMOZ-FQEVSTJZSA-N 416.543 3.115 0 40 HGAB CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N[C@@H](C)c1ccc(OC)cc1 224813669 KUQWVKADOIWXEF-MGPUTAFESA-N 420.531 3.126 0 40 HGAB COC(=O)[C@@H]1C[C@H](OC)CN1C(=O)CCc1cccc(Oc2ccc(F)cc2)c1 225633571 VKNWDRYAUCHYEB-PMACEKPBSA-N 401.434 3.340 0 40 HGAB Cc1c(CN2CCC[C@](C[C@H]3CC(c4ccc(F)cc4)=NO3)(C(=O)O)C2)cnn1C 248077114 ZFBVVSZQJNIHHX-DENIHFKCSA-N 414.481 3.118 0 40 HGAB Cc1ccccc1Cc1cccc([C@H]2CN(CC(=O)Nc3cnn(C)c3C)CCO2)n1 257219131 DFSPCHOHHZKEIQ-HSZRJFAPSA-N 419.529 3.035 0 40 HGAB O=C(Cn1cccnc1=O)N1CCCC[C@H]1c1ncc(Cc2ccccc2Cl)o1 257259991 LAXTWWZZRTUYSL-SFHVURJKSA-N 412.877 3.229 0 40 HGAB Cc1nc(C[C@H]2CCCN(C(=O)c3nccc4ccccc34)C2)cc(C(=O)N(C)C)n1 257280335 OKLHXIOKANQWCD-QGZVFWFLSA-N 417.513 3.130 0 40 HGAB COc1cc(OC)cc(-c2nc(S/C(C(=O)O)=C3/C(=O)Nc4ccccc43)n[nH]2)c1 408632274 IGXLOIPVDQXEEG-FOCLMDBBSA-N 424.438 3.029 0 40 HGAB O=C(N[C@H]1C(=O)N/[N+](=C\c2ccc(F)cc2)[C@@H]1c1ccc(Cl)cc1)c1ccccc1 409054750 BHBCFOGLJUCSFE-MAEDJNRBSA-O 422.867 3.495 0 40 HGAB COC(=O)c1cccc(NC(=O)CN(c2cc(Cl)ccc2C)S(C)(=O)=O)c1C 409254756 IOZPZGNILQNAPS-UHFFFAOYSA-N 424.906 3.148 0 40 HGAB COc1cc2c(N3CCC[C@H]4[C@H]3C(C)(C)[C@@H]4NC(=O)C(F)F)ncnc2cc1F 585137899 ZJAJDTJEDNYDRU-GTTSAUCSSA-N 408.424 3.152 0 40 HGAB Cc1cc(O[C@@H](C)C(=O)N[C@@H]2CC(=O)N(C(C)(C)C)C2)c2c(C)c(C)c(=O)oc2c1 1565524530 JTPQVMXTDQPOHK-JKSUJKDBSA-N 414.502 3.001 0 40 HGAB C[C@H](C(=O)N1CCC(COc2ccc3nc(C(C)(C)C)cn3n2)CC1)n1cccn1 1888892712 PXZIKPFVTDNBSO-MRXNPFEDSA-N 410.522 3.102 0 40 HGAB CS(=O)(=O)N(CC(=O)NCc1ccc(Cl)cc1Cl)c1cccc(F)c1 665902 SPNKLRNAGQZTIB-UHFFFAOYSA-N 405.278 3.215 0 40 HGAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NC(=S)Nc1ccc(C(N)=O)cc1 675709 LZVNIWUTRBKAAB-SECBINFHSA-N 412.298 3.373 0 40 HGAB CC(C)CN1C(=O)N(c2ccccc2)[C@@H](n2oc(=O)n(-c3ccccc3)c2=O)C1(C)C 1054931 ASUFWXDONXBGOH-IBGZPJMESA-N 422.485 3.468 0 40 HGAB Nc1c(C(=O)NCc2ccco2)c2nc3ccccc3nc2n1CCN1CCCCC1 2291595 XSKKWZTWZQFYNU-UHFFFAOYSA-N 418.501 3.176 0 40 HGAB Cc1ccc(NC(=O)CN2C(=O)N[C@H](Cc3c[nH]c4ccccc34)C2=O)cc1Cl 2628237 XPXATSXZKOQLOV-GOSISDBHSA-N 410.861 3.231 0 40 HGAB COc1ccc(-c2nnc(SCC(=O)Nc3ccc4c(c3)OCO4)o2)cc1OC 5019568 JYGIQTUYLWKQRT-UHFFFAOYSA-N 415.427 3.213 0 40 HGAB CC(C)c1ccc(S(=O)(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)cc1 5126636 PUFMIKDMHJSAHU-UHFFFAOYSA-N 408.545 3.395 0 40 HGAB Cc1ccc(-n2c(-c3ccccc3)cn3c4c(=O)[nH]c(=O)n(C)c4nc23)cc1Cl 5251829 BQSBYIAZGXNSTR-UHFFFAOYSA-N 405.845 3.294 0 40 HGAB NC(=O)c1c(NC(=O)CSc2ncnc3sccc23)sc2c1CCCC2 6115386 DRILUTOCCCUYRQ-UHFFFAOYSA-N 404.542 3.461 0 40 HGAB COc1cccc(CN(C)C(=O)[C@@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)c1 6602926 CSQVDQDWCDNKQZ-OAQYLSRUSA-N 418.559 3.355 0 40 HGAB CCn1c(=O)c2sccc2n2c(CCCC(=O)NCc3ccc(C)cc3)nnc12 6868414 IAYGWSPFUUQEGH-UHFFFAOYSA-N 409.515 3.073 0 40 HGAB COc1ccc(Br)c(C(=O)OCC(=O)c2ccc(NC(C)=O)cc2)c1 7203589 DNKHBGJYQIMKCJ-UHFFFAOYSA-N 406.232 3.456 0 40 HGAB CCc1nnc(S/C(=C\c2cc(Br)cc(OC)c2O)C(=O)O)o1 7342652 KJVITGPCBNVKMP-YHYXMXQVSA-N 401.238 3.327 0 40 HGAB CCOC(=O)c1c(C)[nH]c(C)c1C(=O)CSc1nnc(-c2ccccc2C)n1N 7652637 VCTRXPOTCUWGTF-UHFFFAOYSA-N 413.503 3.064 0 40 HGAB CC(=O)Nc1ccc(NC(=O)CCCN(c2ccc(C)cc2)S(C)(=O)=O)cc1 8040837 QPECSZJHYNDACM-UHFFFAOYSA-N 403.504 3.138 0 40 HGAB COc1cc(/C=C(/C#N)C(=O)NC(N)=O)cc(Cl)c1OCc1ccc(F)cc1 8111120 UPSOAGFSVZUZAF-MLPAPPSSSA-N 403.797 3.169 0 40 HGAB O=C(CNc1ccccc1N1CCCC1=O)Nc1cc(Cl)ccc1-n1cncn1 8194640 UPXNDIXWKVASOP-UHFFFAOYSA-N 410.865 3.098 0 40 HGAB COc1ccc([C@]2(C)NC(=O)N(Cc3c(F)c(F)c(F)c(F)c3F)C2=O)cc1 8327387 MORPBXCRUDGAKY-SFHVURJKSA-N 400.303 3.358 0 40 HGAB O=C1CCCN1c1ccc(S(=O)(=O)N[C@@H](c2ccccc2)c2ccncc2)cc1 8745733 QWWBHKDYHWVBRY-QFIPXVFZSA-N 407.495 3.276 0 40 HGAB O=C(Nc1nc2c(s1)CCC[C@@H]2C(=O)N1CCOCC1)c1ccc(Cl)cc1 9072844 UNEOHEBVYGOJEJ-AWEZNQCLSA-N 405.907 3.328 0 40 HGAB CCN1C(=O)C(C)(C)COc2ccc(NS(=O)(=O)CCc3ccccc3)cc21 9170693 FFJHYFFZRYNMMY-UHFFFAOYSA-N 402.516 3.443 0 40 HGAB C[C@H](c1nnc(SCc2nnnn2-c2ccccc2)n1-c1ccc(F)cc1)N(C)C 9338726 KTMRQQQPJICBEX-CQSZACIVSA-N 424.509 3.297 0 40 HGAB C[C@H](OC(=O)c1cn(-c2ccccc2)nc1-c1cccs1)C(=O)N1CCOCC1 10152166 BTSNFYQHLXJJGT-HNNXBMFYSA-N 411.483 3.005 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)NCCCN1CCCCC1 10279615 PUBPRFFKZFRCQI-UHFFFAOYSA-N 421.607 3.166 0 40 HGAB C[C@H](CCc1ccccc1)NC(=O)[C@@H](C)Sc1n[nH]c(=O)n1CCc1ccccc1 10414261 BOECYPVZLIVGIN-QZTJIDSGSA-N 424.570 3.432 0 40 HGAB NC1=Nc2nc3cc4c(cc3n2[C@@H](c2ccccc2C(F)(F)F)N1)OCCCO4 12507728 FIWUNTLRDXBNFV-INIZCTEOSA-N 403.364 3.313 0 40 HGAB Cc1ccc(C(=O)Nc2nc(CN3CCCCCC3)cs2)cc1NS(C)(=O)=O 12526049 VZVYWMHPEOBNNG-UHFFFAOYSA-N 422.576 3.451 0 40 HGAB Cc1nn(-c2ccccc2Cl)c2sc(C(=O)N(C)[C@@H]3CCS(=O)(=O)C3)cc12 12686101 PZRDRMVQSZRGFN-GFCCVEGCSA-N 423.947 3.308 0 40 HGAB COc1ccccc1[C@@H](C(=O)NCc1ccccc1)N(C(=O)c1csnn1)C1CC1 12873351 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CCN1CCC[C@H]1CN(Cc1ccccc1F)C(=O)c1nc2ccccc2n(C)c1=O 19714967 FQHIMFYBOWTLNQ-SFHVURJKSA-N 422.504 3.199 0 40 HGAB COc1ccc(-c2cc(C(=O)Nc3nc4ccc(C(N)=O)cc4s3)nn2C)cc1 19716171 IJFKTVXRECQAPZ-UHFFFAOYSA-N 407.455 3.057 0 40 HGAB Cc1nc(N)c2c(C(F)(F)F)cc(C3CCN(C(=O)c4ccncc4)CC3)nc2n1 19743283 NKMZXOUOTIVDNK-UHFFFAOYSA-N 416.407 3.349 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)Nc2ccc(F)c(F)c2F)cc1 20021234 OVYFWMWZHXRTKQ-UHFFFAOYSA-N 416.421 3.152 0 40 HGAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1cc(NS(C)(=O)=O)ccc1Cl 20457131 XVIQOUBJSZXBAO-GFCCVEGCSA-N 423.922 3.492 0 40 HGAB CC(C)n1cnc2nc(COc3cccc(NC(=O)c4ccccc4)c3)cc(=O)n21 21796815 CXTMSBFAWCTKDK-UHFFFAOYSA-N 403.442 3.303 0 40 HGAB CCc1ccc(NC(=O)c2cc(OC)c(OC)cc2N(CC)S(C)(=O)=O)cc1 22251893 JOLDYXQFFLENLT-UHFFFAOYSA-N 406.504 3.304 0 40 HGAB Cc1ccc(S(=O)(=O)N(CC(=O)NC2CC2)Cc2ccccc2Cl)cc1C 22352082 GXETUESBFBYNNN-UHFFFAOYSA-N 406.935 3.426 0 40 HGAB C[C@@H](c1nc2ccccc2s1)N1CCN(Cn2ncc3ccccc3c2=O)CC1 22932657 HRLCDRPSNCPISK-INIZCTEOSA-N 405.527 3.343 0 40 HGAB C/C=C/c1ccc(OC[C@@H](O)CN2CCN(c3ccc(F)cc3)CC2)c(OC)c1 23115556 FVXJIABGXOOMQB-SHTLVRLNSA-N 400.494 3.429 0 40 HGAB CC(=O)Oc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)cc1 23117770 QMWOIXBDAIVHMH-HNNXBMFYSA-N 416.499 3.285 0 40 HGAB COC(=O)C1CCN([C@@H](c2ccc(C)cc2)c2sc3nc(C)nn3c2O)CC1 23156857 UMFWORAVHKSVQX-INIZCTEOSA-N 400.504 3.088 0 40 HGAB O=C1C[C@@H](C(=O)N2CCN(Cc3cccs3)CC2)CN1Cc1ccccc1Cl 23735591 LGEDUQSSZGYYFU-QGZVFWFLSA-N 417.962 3.094 0 40 HGAB Cc1c(C(=O)Nc2ccccc2C(=O)NCCCN2CCOCC2)oc2ccccc12 23873287 SHSDRYIVMIVFCG-UHFFFAOYSA-N 421.497 3.446 0 40 HGAB NC(=O)[C@H]1C[C@H](O)CN1c1nc(/C=C/c2ccccc2)nc2sc3c(c12)CCCC3 24770375 LOLRJOYQBCWZJL-ALZIZJOTSA-N 420.538 3.165 0 40 HGAB COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)c1nc(Cl)ccc1Cl 25186326 KNKNSZKPKBDRBY-UHFFFAOYSA-N 410.257 3.264 0 40 HGAB C[C@@H](c1nc(Cc2ccccc2)no1)N1CCN(c2nccc(C(F)(F)F)n2)CC1 25575970 MLVWAUNDDKBTEU-AWEZNQCLSA-N 418.423 3.352 0 40 HGAB O=C(CC[C@@H]1NC(=O)NC1=O)NC[C@@H](c1ccccc1Cl)c1c[nH]c2ccccc12 33029189 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CCCCN(CC(=O)Nc1ccc(F)cc1F)Cc1nc2ccccc2c(=O)[nH]1 58146590 DVPAHDPQHIWFGR-UHFFFAOYSA-N 400.429 3.442 0 40 HGAB NC(=O)c1cccc(-c2cnc(N)nc2[C@@H]2CCCN2C(=O)c2ccc(Cl)cc2)c1 72354632 KXDVUOHVIUEANY-SFHVURJKSA-N 421.888 3.455 0 40 HGAB COc1cc2ncn(CCCC(=O)N(CC(F)F)CC3CCC3)c(=O)c2cc1OC 95445438 WYGRRAWBGBOJKT-UHFFFAOYSA-N 423.460 3.088 0 40 HGAB NC(=O)c1ccc(/C=C/C(=O)NC[C@H](Cc2ccc3ccccc3c2)C(=O)O)cc1 95989526 PZJGWMFRMXCLRK-HSRJRILOSA-N 402.450 3.012 0 40 HGAB CN(c1ccccc1)c1ccccc1NC(=O)CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 102791879 UKDYLMDGGYRWCM-QDGJQWLKSA-N 401.466 3.200 0 40 HGAB COc1cc(Cn2c(=S)ss/c2=N/C(=S)N(C)C)cc(OC)c1OC 104294251 MWJKBPKYUGROES-JQIJEIRASA-N 417.603 3.162 0 40 HGAB CC[C@H](C(=O)NCCSCc1ccccc1F)N(c1ccccc1)S(C)(=O)=O 219081666 ZSNQJYPTLPCNHD-LJQANCHMSA-N 424.563 3.420 0 40 HGAB COCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc(C(=O)O)c1 223022638 VYYIHEKARVCQKW-PMACEKPBSA-N 422.510 3.189 0 40 HGAB CCC(=O)N(Cc1ccc(OC)cc1)[C@H](Cc1ccccc1)C(=O)NC[C@@H]1CCCO1 223264451 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CS(=O)(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccco2)cc1 225384638 FILZJBHJMQWLLW-MSOLQXFVSA-N 414.512 3.223 0 40 HGAB NC(=O)c1ccc(NC(=O)CCc2nc(-c3ccc(Br)cc3)no2)cc1 225819853 DQTSJWLOVDWPLE-UHFFFAOYSA-N 415.247 3.169 0 40 HGAB C[C@H](CCC(=O)O)[C@@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)C[C@@H](O)[C@]4(C)[C@H]3C[C@H](O)[C@@]21C 256285937 DAKYVYUAVGJDRK-AJGYZIQBSA-N 408.579 3.449 0 40 HGAB in-vitro Cc1nc(CN2CC[C@]3(CN(CC4CC4)C[C@H]3c3cn(C(C)C)cn3)C2=O)cs1 306124837 CARBMIHRZCCRHW-SIKLNZKXSA-N 413.591 3.457 0 40 HGAB O=C(NCc1ccccc1)c1nnc2n1C[C@@H]1CN(Cc3ccccc3Cl)C[C@@H]1C2 306143185 XVHSNHPSXLPTOW-OALUTQOASA-N 421.932 3.166 0 40 HGAB COc1cccc(C2=NN(C(=O)CCc3ccccc3O)[C@@](O)(C(F)(F)F)C2)c1 408563369 LJUVEFNXABFMDA-IBGZPJMESA-N 408.376 3.221 0 40 HGAB C[C@H](NC(=O)Cn1cc(C(=O)C(=O)N2CCCC2)c2ccccc21)c1ccccc1 408572467 RFMWKSXBBSGRRE-KRWDZBQOSA-N 403.482 3.324 0 40 HGAB CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N3CCCC3)c2)cc1 408593786 NLOQYPUNWRPGNC-UHFFFAOYSA-N 416.499 3.209 0 40 HGAB COc1ccccc1/C=[N+]1\NC(=O)[C@@H](NC(=O)c2cccc(C)c2)[C@@H]1c1ccccc1 409055521 CIUAMOWWHMPKBR-LIFFMEMSSA-O 414.485 3.020 0 40 HGAB CCCCNC(=O)CN1C(=O)S/C(=C\c2cc(Cl)c(OC)cc2OC)C1=O 409199264 AXIFKXRSBBZREJ-NVNXTCNLSA-N 412.895 3.310 0 40 HGAB COc1ccc(OC)c(/C=C2\SC(=O)N(CC(=O)N(C(C)C)C(C)C)C2=O)c1 409209798 HGAXXHXKIFRHHT-YVLHZVERSA-N 406.504 3.386 0 40 HGAB O=C(Cc1ccc2c(c1)CCCO2)N1CC2(C[C@H](OCc3ccncc3)CS2)C1 575404690 UMAXCJQWDWIXNT-FQEVSTJZSA-N 410.539 3.252 0 40 HGAB Cn1nc(-c2ccc(F)cc2)cc1C(=O)NC[C@@](O)(c1ccccc1)C1CCOCC1 575611317 DVDHWZZECUFGFT-XMMPIXPASA-N 423.488 3.270 0 40 HGAB O=C(c1ccc2nccnc2c1)N1CC[C@@H](c2ccccc2Cl)S(=O)(=O)CC1 575616968 LVSBCAXEIIVKNV-IBGZPJMESA-N 415.902 3.285 0 40 HGAB CS(=O)(=O)c1ccc(N2CCO[C@@H](c3ccc(OC(F)F)cc3)C2)c(F)c1 578572611 TULRJOCICBGXGJ-QGZVFWFLSA-N 401.406 3.409 0 40 HGAB COc1ccc(Cl)cc1N1C[C@@H](C(=O)N2CCOc3ccccc3C2)CC1=O 617222994 HOCUWYLDQHCGQI-HNNXBMFYSA-N 400.862 3.123 0 40 HGAB Brc1cnc(OC[C@H]2CCCN(Cc3cn4ccccc4n3)C2)nc1 1775969184 ANVMUDUSVIXOAY-AWEZNQCLSA-N 402.296 3.178 0 40 HGAB CC(C)Oc1ccc(C(=O)N2CCN(c3ccnc(C(F)(F)F)c3)C(=O)C2)cc1 1775973000 BGEXKKFLRXEBBZ-UHFFFAOYSA-N 407.392 3.377 0 40 HGAB Cc1nc(N2C[C@H]3CN(c4ccc(C(F)(F)F)cn4)C[C@@H]3C2)c2ccncc2n1 1888897389 YWSKPEXHROISSS-ZIAGYGMSSA-N 400.408 3.320 0 40 HGAB COc1ccccc1CC(=O)N1CCC(Cn2c(C)nc3cc(F)ccc3c2=O)CC1 1888958135 KOBREGWEIRPUBK-UHFFFAOYSA-N 423.488 3.334 0 40 HGAB CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)c1ccc(COC(C)C)cc1 7737642 MSTHHESFXRSJID-UHFFFAOYSA-N 412.486 3.484 0 40 HGAB Cn1ccnc1[C@H](NC(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O)c1ccccc1 29070206 LNUHTRGUDRBSGE-MRXNPFEDSA-N 424.810 3.160 0 40 HGAB C[C@H](NC(=O)CSc1nc2ncc(Cl)cc2[nH]1)c1ccc2c(c1)OCCO2 7735467 HPUHCZQTJZGSRF-JTQLQIEISA-N 404.879 3.352 0 40 HGAB COc1cc(O)ccc1OCCNC[C@@H](O)COc1cccc2[nH]c3ccccc3c12 2526388 ZCJHEORDHXCJNB-QGZVFWFLSA-N 422.481 3.444 0 40 HGAB endogenous,world O=C(c1ccc(F)cc1)C1CCN(CCCCn2c(=O)[nH]c3ccccc3c2=O)CC1 2019989 MLDQSYUQSLUEPG-UHFFFAOYSA-N 423.488 3.204 0 40 HGAB in-man CC(C)Cn1c(=O)[nH]c(=O)c2c(C(=O)Nc3ccc(F)cc3F)cc(C(C)C)nc21 32059661 YTBUWBHOUZJVJV-UHFFFAOYSA-N 416.428 3.395 0 40 HGAB O=C1C[C@@H](N2CCN(c3ccccc3)CC2)C(=O)N1c1ccc(SC(F)F)cc1 101130736 JNWOWSHTSCIBQW-GOSISDBHSA-N 417.481 3.455 0 40 HGAB COc1ccc2cc(CN(CCCO)C(=S)Nc3ccc(C)cc3)c(=O)[nH]c2c1 4127714 UTFFFYNMFKVPRS-UHFFFAOYSA-N 411.527 3.427 0 40 HGAB O=C(COC(=O)c1cc(S(=O)(=O)N2CCCCCC2)cs1)c1ccccc1 6680723 TZGHWZOVCDEJLU-UHFFFAOYSA-N 407.513 3.353 0 40 HGAB Cn1c(SCc2cc(=O)oc3cc(O)ccc23)nnc1[C@@H]1COc2ccccc2O1 21184335 HCDFHMLLTUTXGJ-SFHVURJKSA-N 423.450 3.432 0 40 HGAB CCc1ccccc1NC(=O)Cn1nc(CNC(=O)c2ccccc2C)n(C)c1=S 8088462 GTCKZQLWKVBDEV-UHFFFAOYSA-N 423.542 3.391 0 40 HGAB COc1cc(C(=S)N2CCC(C(N)=O)CC2)ccc1OCc1ccc(F)cc1 8113541 BGQSYWSUUVHSOY-UHFFFAOYSA-N 402.491 3.286 0 40 HGAB C/C=C/c1ccc(OCC(=O)N(CC)Cc2nc3ccccc3c(=O)[nH]2)c(OC)c1 7810897 WZHUYISHIASOPP-XBXARRHUSA-N 407.470 3.392 0 40 HGAB Cc1ccc(C(=O)[C@@H](C)OC(=O)c2cc(S(=O)(=O)NC3CC3)ccc2C)cc1 32868740 QQXGYCLTSPOBAX-OAHLLOKOSA-N 401.484 3.172 0 40 HGAB Cc1ccc(OCC(=O)n2nc(C)c(S(=O)(=O)N3CCCCCC3)c2C)c(C)c1 9569780 CYSPMTYHZBXGPC-UHFFFAOYSA-N 419.547 3.401 0 40 HGAB O=C(/C=C/c1ccccc1)N1CCC(C(=O)N2CCN(Cc3cccs3)CC2)CC1 21867544 IZDFXCYIBCBJIR-CMDGGOBGSA-N 423.582 3.344 0 40 HGAB COc1ccc(OC)c(C2=NO[C@H]3C(=O)N(c4cccc5ccccc45)C(=O)[C@@H]23)c1 102896567 WGXAYLOIOLKDDP-PZJWPPBQSA-N 402.406 3.150 0 40 HGAB COC(=O)C1=CN(Cc2ccccc2)C=C(C(=O)OC)C1c1ccc(OC)c(OC)c1 781163 LKLSIINERPDGHO-UHFFFAOYSA-N 423.465 3.417 0 40 HGAB Cc1ccc(C)c(C(=O)CCC(=O)Nc2ccc(S(=O)(=O)NC3CC3)cc2)c1 12109698 JETPKUAGNQAGTN-UHFFFAOYSA-N 400.500 3.346 0 40 HGAB Cc1cc(CN2CCN(CC(=O)N[C@H](c3ccccc3)c3cccs3)CC2)no1 22800070 RAGATZPYVRHEQJ-JOCHJYFZSA-N 410.543 3.068 0 40 HGAB Cc1ccc(N(CC(=O)NCc2ccccn2)S(=O)(=O)c2ccccc2)c(C)c1 886740 HNGWOYNPEZRBMS-UHFFFAOYSA-N 409.511 3.210 0 40 HGAB CC(C)(C)OC(=O)[C@H]1C(=O)C[C@@](C)(O)[C@H](C(=O)OC(C)(C)C)[C@@H]1c1ccc(O)cc1 101998738 IAIPIVRRJFSQNH-SCYDXJQRSA-N 420.502 3.115 0 40 HGAB Cc1cc(S(=O)(=O)N(C)C)cc(NC(=O)Cc2csc(-c3ccco3)n2)c1C 22966819 UBXDOCTWOHAWAI-UHFFFAOYSA-N 419.528 3.451 0 40 HGAB COc1ccc(NC(=O)c2cc(S(=O)(=O)NC3CC3)c(Cl)cc2Cl)cn1 23143458 ZRMMQFZZWXKIFK-UHFFFAOYSA-N 416.286 3.090 0 40 HGAB CC[C@H](C)NS(=O)(=O)c1ccc(OCC(=O)N[C@@H](C)c2ccc(F)cc2)cc1 22536787 KOPCQUNEKALEEZ-GJZGRUSLSA-N 408.495 3.159 0 40 HGAB COc1ccc(CN2C(=O)/C(=C\NCC(C)(C)CN(C)C)c3ccccc3C2=O)cc1 24074222 SUAXFGMORNQOKH-HMAPJEAMSA-N 421.541 3.396 0 40 HGAB COC(=O)[C@H](NC(=O)c1ccc(-n2cccn2)cc1)c1ccc(Br)cc1 58142185 KVORQZOIIHDAGS-QGZVFWFLSA-N 414.259 3.279 0 40 HGAB CC(C)C[C@H](C(=O)OCC(=O)Nc1ccc(F)cc1)N1C(=O)c2ccccc2C1=O 1916954 XRVSAJHJFFDNEM-GOSISDBHSA-N 412.417 3.018 0 40 HGAB COc1ccc(OCCCC(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)cc1 10024561 ICNWVVMPKYLUOQ-UHFFFAOYSA-N 409.486 3.361 0 40 HGAB COc1cccnc1NC(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1 58424822 IOCAUEAOIJYUSR-UHFFFAOYSA-N 418.291 3.344 0 40 HGAB O=C(Nc1nnc(Cc2ccc(F)cc2)s1)[C@@H]1CC(=O)N(c2ccccc2F)C1 36360389 JMXOWRSJHDJMKR-CYBMUJFWSA-N 414.437 3.399 0 40 HGAB Cc1cccc(N2C[C@@H](C(=O)N3CCC(NC(=O)c4ccccc4)CC3)CC2=O)c1C 10776994 PNLZGHKRLGYZND-FQEVSTJZSA-N 419.525 3.077 0 40 HGAB C[C@@H](C(=O)OCC(=O)Nc1ccc(C(C)(C)C)cc1)N1C(=O)c2ccccc2C1=O 3337716 ASROIXORQAADKM-AWEZNQCLSA-N 408.454 3.151 0 40 HGAB O=C(Cn1nnc(-c2cccs2)n1)N1CCC[C@H](c2nc3ccccc3s2)C1 12779926 PERMYIYRXVXYEO-ZDUSSCGKSA-N 410.528 3.418 0 40 HGAB Cc1nc(-c2ccc(CCNC(=O)Cn3c(=O)cnc4ccccc43)cc2)cs1 12736246 DAWDNAIBWYGCMD-UHFFFAOYSA-N 404.495 3.187 0 40 HGAB CC(C)CCNC(=O)C1CCN(C(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)CC1 48302793 OKUBLIRUCSFRJG-OAQYLSRUSA-N 417.569 3.439 0 40 HGAB COc1cc(C(=O)Nc2nc3c(s2)CCCCC3)cc(Cl)c1OCC(N)=O 12821818 POTIBPPBMCCKRE-UHFFFAOYSA-N 409.895 3.190 0 40 HGAB COC(=O)COC(=O)c1nc(-c2cccs2)n(-c2cccc(C(F)(F)F)c2)n1 12883936 JPNZSXKSXXLFOI-UHFFFAOYSA-N 411.361 3.344 0 40 HGAB COc1ccc2oc(C(=O)NCCN3CCN(Cc4ccccc4)CC3)c(C)c2c1 69249493 ONYHDZSSDKLDDQ-UHFFFAOYSA-N 407.514 3.297 0 40 HGAB C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)NC(c2ccccc2)c2ccccc2)C1=O 3460407 FMMXOUYABKENDO-VWLOTQADSA-N 413.477 3.359 0 40 HGAB CCc1ccc(-n2c(SCC(=O)NC[C@H]3CCCO3)nc3ccccc3c2=O)cc1 3487743 ZGSDDCJEJGRQCS-GOSISDBHSA-N 423.538 3.335 0 40 HGAB Cc1ccccc1-n1c(SCC(=O)NC(=O)NC(C)C)nc2ccccc2c1=O 3468839 MJXVOKHOFNFZJZ-UHFFFAOYSA-N 410.499 3.020 0 40 HGAB C[C@H](NS(=O)(=O)c1c(Cl)cccc1Cl)C(=O)Nc1ccc2c(c1)OCO2 13149424 MPXSHNDHBAVVIB-VIFPVBQESA-N 417.270 3.028 0 40 HGAB CCC(=O)N1N=C(c2cccc(NS(C)(=O)=O)c2)C[C@H]1c1ccccc1OC 4036308 RBAANQATZWEKKP-SFHVURJKSA-N 401.488 3.154 0 40 HGAB CCOC(=O)c1c(NC(=O)COC(=O)c2cccnc2OCC)sc(C)c1CC 6083776 OILKUFDVSNFTNS-UHFFFAOYSA-N 420.487 3.385 0 40 HGAB C[C@@H](NC(=O)CN(C)S(=O)(=O)c1cccs1)c1ccc(Br)cc1 14198450 YBWKVTLZYGAMBP-LLVKDONJSA-N 417.350 3.009 0 40 HGAB Cc1nc2c(sc(=S)n2Cc2ccco2)c(=O)n1CC(=O)NC1CCCCC1 6757408 NOXRJQHNRHWRKJ-UHFFFAOYSA-N 418.544 3.388 0 40 HGAB CCOCCCNC(=O)c1c(NC(=O)c2snnc2CC)sc2c1CCCC2 4941923 BWLPPEPVBMHSGB-UHFFFAOYSA-N 422.576 3.450 0 40 HGAB CCCCN(CC)C(=O)Cn1c(-c2cccc(Cl)c2)nc(C)c(CCO)c1=O 67301572 VTEDCOTYZDQADP-UHFFFAOYSA-N 405.926 3.056 0 40 HGAB Cc1ccc2nc(CSCc3nc(N)nc(Nc4ccc(F)cc4)n3)cc(=O)n2c1 15496073 HIRWIWOVCPZVRJ-UHFFFAOYSA-N 423.477 3.086 0 40 HGAB COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(C(F)(F)F)cc2)C1=O 409235199 BJVOAEXMMLMDFU-XNTDXEJSSA-N 419.359 3.245 0 40 HGAB O=C(CNC(=O)c1ccc(Br)o1)NCc1ccc(Cl)cc1Cl 15933808 LZHRSCZBUPTJIA-UHFFFAOYSA-N 406.063 3.395 0 40 HGAB CC[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1)c1ccc(OC)cc1 20493499 BWXYZSOBENZNNW-SJLPKXTDSA-N 422.572 3.425 0 40 HGAB CS(=O)(=O)N1CCC[C@H](NCc2ccc(-c3ccc(C(F)(F)F)cc3)o2)C1 83984842 GSXNHWRIOCFHAI-HNNXBMFYSA-N 402.438 3.479 0 40 HGAB C[C@@H]1CN(c2ccc(S(N)(=O)=O)cc2C(F)(F)F)C[C@H](c2ccccc2)O1 78873953 VQHKVZHXSXFGNA-SJKOYZFVSA-N 400.422 3.319 0 40 HGAB CCOCCCNC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(C)cc1 409115378 MFPBBMWGWPWIKQ-UHFFFAOYSA-N 424.950 3.387 0 40 HGAB CCN1CCN(c2cccc(NC(=O)[C@H]3CCCN(Cc4cccnc4)C3)c2)CC1 547463419 VFOVWLGYBSCNRS-NRFANRHFSA-N 407.562 3.074 0 40 HGAB CCC[C@H](NC(=O)c1cc(S(N)(=O)=O)ccc1Br)c1ccccc1 32903858 HQEJVHKOMHCBST-INIZCTEOSA-N 411.321 3.368 0 40 HGAB C[C@H]1CCCCN1CC(=O)Nc1ccc(F)c(NC(=O)c2cnn(C(F)F)c2)c1 1526736401 CTRVOIRTPIMMBZ-LBPRGKRZSA-N 409.412 3.483 0 40 HGAB CCC(C)(C)NC(=O)c1ccc2c(=O)n3c(nc2c1)CCN(Cc1ccccc1)CC3 72389658 YBAFBWUCGAOREB-UHFFFAOYSA-N 418.541 3.373 0 40 HGAB Cc1nc(C(=O)N2CCN(c3ccc(F)cn3)CC2)nn1-c1ccccc1C(C)C 537147949 RRAVIOWDNZYTRC-UHFFFAOYSA-N 408.481 3.196 0 40 HGAB C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)N1CCN(C(=O)c2ccco2)CC1 35267884 HIYIHADDNKFGNC-IBGZPJMESA-N 417.509 3.332 0 40 HGAB O=C1N[C@H](C(=O)NCCCSc2ccccc2)CS[C@H]1Cc1ccccc1F 31553360 STULBKCWGKWDSE-OALUTQOASA-N 418.559 3.267 0 40 HGAB CCOC(=O)c1c(NC(=O)CN2CCCN(C)CC2)sc(C)c1-c1ccccc1 39944607 ROPSPHLSJTWPEA-UHFFFAOYSA-N 415.559 3.476 0 40 HGAB CS(=O)(=O)N(CC(=O)Nc1ccc(C(F)(F)F)cc1)c1ccc(F)cc1F 220087598 XGWHLANVTACFHN-UHFFFAOYSA-N 408.348 3.388 0 40 HGAB COC(=O)c1cccc2c1N(C(=O)c1ccc(CN3CCCCC3)o1)[C@H](C)C(=O)N2 1584152022 JTVIREYSSNHJPF-CQSZACIVSA-N 411.458 3.040 0 40 HGAB CCOC(=O)CN(c1cc(OC)c(Cl)cc1OC)S(=O)(=O)c1cccs1 225143322 CXSZEUQLUHQNFU-UHFFFAOYSA-N 419.908 3.177 0 40 HGAB CC(C)OC(=O)c1ccc(NC(=O)[C@@]23CCC(=O)N2c2ccccc2C(O)=N3)cc1 40313074 ICWHLPWOEHASHO-JOCHJYFZSA-N 407.426 3.032 0 40 HGAB biogenic CS(=O)(=O)N(CC(=O)NCc1ccc2ccccc2c1)c1ccc(F)c(F)c1 222773442 HZEDHRVYZZSRRV-UHFFFAOYSA-N 404.438 3.200 0 40 HGAB CC(=O)Nc1ccc(NC(=O)Cn2ccc(=O)c3cc(Br)ccc32)cc1 225729614 KVDFAUGDXHLUMS-UHFFFAOYSA-N 414.259 3.361 0 40 HGAB CCOc1cccc(N(CC(=O)N[C@@H](C)c2ccc(CC)cc2)S(C)(=O)=O)c1 225775250 FJCRYKFPZWUAFH-INIZCTEOSA-N 404.532 3.291 0 40 HGAB CC(C)Cn1nc(CC(=O)NCCn2ccc3ccccc32)c2ccccc2c1=O 95479601 BOKQTAJUHSXGIT-UHFFFAOYSA-N 402.498 3.366 0 40 HGAB CCN1C[C@]2(CC1=O)CN(Cc1ccc(F)cc1)CCN(C(=O)Nc1ccccc1)C2 97952818 QRHTXASPLSSFCJ-DEOSSOPVSA-N 424.520 3.414 0 40 HGAB O=C(O)c1ccc(=O)n(CCn2ncc(-c3ccncc3)c2-c2ccc(F)cc2)c1 257245711 IQSJVEPGAHCQML-UHFFFAOYSA-N 404.401 3.311 0 40 HGAB O=C1CCCCN1C[C@H]1CCC2(CN(C(=O)C34CC5CC(CC(C5)C3)C4)C2)OC1 575403086 INPFWXNSXHTLEJ-HYMXPIOVSA-N 400.563 3.223 0 40 HGAB O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)c2c[nH]nc2-c2ccccc2)CC1 12531150 LUJLWTYTDFUTAZ-UHFFFAOYSA-N 418.453 3.296 0 40 HGAB CN(C)S(=O)(=O)c1cccc(Cn2cnc3c(Cl)cc(Cl)cc3c2=O)c1 14138738 UHXQEDGDRWHBRL-UHFFFAOYSA-N 412.298 3.002 0 40 HGAB CN(c1ccc(OC(=O)c2cnccn2)cc1)S(=O)(=O)c1ccc(Cl)cc1 14689304 CKUSJANMVFULDE-UHFFFAOYSA-N 403.847 3.174 0 40 HGAB O=C(c1ccco1)N1CCN([C@@H](c2ccc(F)cc2)c2nnnn2C2CCCC2)CC1 19342071 ROZAIXSGNGAXSX-FQEVSTJZSA-N 424.480 3.068 0 40 HGAB COc1cccc(OC)c1CN1CCc2c(nc(C(C)C)nc2N2CCOCC2)C1 19453667 LPVXSKCMWJVPKH-UHFFFAOYSA-N 412.534 3.012 0 40 HGAB CCN(CC)C(=O)c1sc2nc3n(c(=O)c2c1C)CCN(Cc1ccccc1)CC3 19526253 XPPPWVZNZJITTK-UHFFFAOYSA-N 424.570 3.307 0 40 HGAB CCOc1cc2c(cc1CN[C@@H]1CCC(=O)N[C@H]1c1cc(F)cc(F)c1)OCO2 19532551 HILLMBKVZCDXPI-IERDGZPVSA-N 404.413 3.202 0 40 HGAB CCS(=O)(=O)Nc1ccc(C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)cc1 19886500 WBAIEBAFBYYUSH-UHFFFAOYSA-N 421.950 3.372 0 40 HGAB C[C@H](CCc1ccccc1)NC(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 19930750 CVVWDVXXLCYWTM-QGZVFWFLSA-N 400.544 3.197 0 40 HGAB CCc1onc(C)c1C(=O)N1CCC[C@H](c2nc3ccc(F)cc3cc2C(N)=O)C1 12256221 WOIWUFADMNLZTF-ZDUSSCGKSA-N 410.449 3.351 0 40 HGAB CC(C)Cn1c(=O)[nH]c(=O)c2c(C(=O)N(C)Cc3ccccc3)cc(C(C)C)nc21 32032099 LJPGAKLYOJVNBT-UHFFFAOYSA-N 408.502 3.136 0 40 HGAB CC(=O)N1CCC[C@]1(Cc1ccccc1-c1ccccc1)C(=O)NCc1noc(C)n1 2037834436 DQYQQUQWHGIHCY-DEOSSOPVSA-N 418.497 3.285 0 40 HGAB O=C([C@H]1CN(c2ncc(C(F)(F)F)cc2Cl)CCO1)N1CCC(F)(F)CC1 2086945936 GOJJNVLZNUWQFB-GFCCVEGCSA-N 413.774 3.217 0 40 HGAB O=C(c1ccc2nccnc2c1)N1CC[C@H]2CN(c3cc(C(F)(F)F)ccn3)C[C@H]21 2087158702 LZYYNHPHLWQCJL-KBXCAEBGSA-N 413.403 3.395 0 40 HGAB CCOc1ccc(C(=O)Nc2ccc3c(c2)CCCN3S(C)(=O)=O)cc1OCC 5375441 ODWWEFLMPCSRLP-UHFFFAOYSA-N 418.515 3.449 0 40 HGAB O=C(NCc1ccco1)C(=O)Nc1ccc2c(c1)CCCN2C(=O)c1cccs1 5374833 LUPMBKGQALNUIT-UHFFFAOYSA-N 409.467 3.189 0 40 HGAB COc1cccc2cc(-c3nnc(NC(=O)c4cccc(S(C)(=O)=O)c4)o3)oc12 9167586 NYKMAMPEEAPFQO-UHFFFAOYSA-N 413.411 3.147 0 40 HGAB Cc1ccc(-c2csc(NC(=O)CSc3nnc(-c4ccccn4)n3N)n2)cc1 9707797 OUDBIYXZYIASLX-UHFFFAOYSA-N 423.527 3.217 0 40 HGAB O=C(c1cc2cc(Cl)cc(Cl)c2oc1=O)N1CCN(c2ccccn2)CC1 10384435 FVVQGYZWNHKYTN-UHFFFAOYSA-N 404.253 3.457 0 40 HGAB CCCc1nnc(NC(=O)CSc2ccc(NC(=O)c3cccs3)nn2)s1 11739515 LRURGQWSOUTOBU-UHFFFAOYSA-N 420.545 3.325 0 40 HGAB CCOc1ccc2nc(N(CCCN3CCOCC3)C(=O)c3ccno3)sc2c1 12443826 KSNVIZDSVNFBOU-UHFFFAOYSA-N 416.503 3.052 0 40 HGAB Cc1ccc(-c2ccc(=O)n(CCCNC(=O)[C@@H](C)Oc3ccccc3F)n2)cc1 13801260 ZKCVJHZVUYKYBI-QGZVFWFLSA-N 409.461 3.332 0 40 HGAB COc1cc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2F)cc(OC)c1OC 17243031 AOHQSRUPLSZKCU-GOSISDBHSA-N 415.421 3.118 0 40 HGAB CCn1c(C)cc(O)c([C@@H](c2cccnc2)N2CCN(c3ccccc3F)CC2)c1=O 22697470 QVVQKPQTPRAGBU-HSZRJFAPSA-N 422.504 3.328 0 40 HGAB Cc1cc(C)n(-c2cc(NCCNC(=O)c3ccccc3C(F)(F)F)nc(C)n2)n1 23144382 FBOHPBTUUFNSGY-UHFFFAOYSA-N 418.423 3.448 0 40 HGAB C[C@H](Nc1ccc2c(c1)OC(F)(F)O2)C(=O)Nc1ccc(N2CCOCC2)cc1 30005813 JWGZNXRFUOSJEI-ZDUSSCGKSA-N 405.401 3.284 0 40 HGAB C[C@H]1CN(c2ccc(C(=O)Nc3ccc(C(=O)N4CCCC4)cc3)cn2)C[C@@H](C)O1 40087696 MAQBOVNMWCNNPE-CALCHBBNSA-N 408.502 3.184 0 40 HGAB O=C(Nc1ccc(Cl)cn1)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)s2)C1 40149853 RHSPPQRQVPWTDC-SNVBAGLBSA-N 420.343 3.489 0 40 HGAB COc1ccc(C(=O)CSc2nnc(C[C@H](C)c3ccccc3)n2N)c(OC)c1 2651481 QWEMEAKWVWHVHR-AWEZNQCLSA-N 412.515 3.330 0 40 HGAB CCOC(=O)c1c(C2CC2)csc1NC(=O)COC(=O)c1ccc(CO)cc1 3418772 MDTNLAJXUCMTTQ-UHFFFAOYSA-N 403.456 3.090 0 40 HGAB O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)Nc1ccc(Cl)cc1Cl 3594922 GOEFJVYWKZPKJO-IBGZPJMESA-N 404.253 3.325 0 40 HGAB CC(C)C[C@H](NC(=O)c1cc2cc(Cl)ccc2n1C)C(=O)N1CCC[C@H]1C(=O)O 4000364 OPHAWRYOHOYBLZ-RDJZCZTQSA-N 419.909 3.052 0 40 HGAB biogenic O=C(COC(=O)c1ccc(N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2=O)cc1)c1ccccc1 4157408 CPXQAYGTKQBKRT-ALFLXDJESA-N 403.434 3.262 0 40 HGAB COc1ccc2cc([C@@H](c3nnnn3C(C)(C)C)N3CCC[C@H](C)C3)c(=O)[nH]c2c1 4212483 YLUAFORFLJFDMP-LIRRHRJNSA-N 410.522 3.100 0 40 HGAB O=C(CSc1ccc2nnc(-c3cccnc3)n2n1)NCc1ccccc1Cl 4327741 IZTNEOKODUGJEL-UHFFFAOYSA-N 410.890 3.248 0 40 HGAB COc1ccc2nc(N3CCN(C(=O)c4ccc5c(c4)OCCO5)CC3)sc2c1 4583424 CIJIQHHEDQXPFH-UHFFFAOYSA-N 411.483 3.039 0 40 HGAB COc1ccccc1NC(=O)COc1coc(CN2CCc3ccccc3C2)cc1=O 4583873 CACWBJSJHNVSNJ-UHFFFAOYSA-N 420.465 3.224 0 40 HGAB O=C(OCc1nnc(-c2ccccc2)o1)C1CCN(C(=O)c2ccc(F)cc2)CC1 4790327 KPWWSNNJZOANKF-UHFFFAOYSA-N 409.417 3.471 0 40 HGAB C[C@@H]1/C(=C/C(=O)OCCN(C)C)CC[C@@H]2[C@@H]1C(=O)C[C@H]1C(C)(C)[C@@H](O)CC[C@@]21C 4804681 GMHWATCMBXIANN-ZLMGYVEHSA-N 405.579 3.456 0 40 HGAB COc1ccc(-c2nnc(SCC(=O)NC(C)(C)C)n2C[C@@H]2CCCO2)cc1 5021252 YONWFHHPOLGAFA-INIZCTEOSA-N 404.536 3.140 0 40 HGAB CC(C)[C@@H](C(=O)Nc1cccc(Br)c1)n1nnc2ccccc2c1=O 5205427 OUYORECUHOTCCY-INIZCTEOSA-N 401.264 3.390 0 40 HGAB Cc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1N1CCCCC1=O 5330116 URQYYDFVTGWXBF-UHFFFAOYSA-N 402.472 3.084 0 40 HGAB C[C@@H](Oc1ccccc1Cl)C(=O)N(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 5576762 KMTCAMHOWJJPFH-NVXWUHKLSA-N 407.919 3.323 0 40 HGAB CCCCn1c(O)c(C(=O)NCc2ccc(OC)c(OC)c2)c(=O)c2ccccc21 5737689 HNSFHUZWXRIMJT-UHFFFAOYSA-N 410.470 3.454 0 40 HGAB COc1ccc(-c2nnc(S[C@H](C)C(=O)NCCC3=CCCCC3)n2N)cc1 6100620 ZHSCRDSFBAZZNS-CQSZACIVSA-N 401.536 3.155 0 40 HGAB COc1ccc(OC)c(S(=O)(=O)Nc2ccccc2C(=O)N2CCCCC2)c1 6553549 RCVUOQXSHIHODT-UHFFFAOYSA-N 404.488 3.131 0 40 HGAB CCc1nnc2n1N[C@H](c1ccc(OC)cc1)[C@@H](C(=O)Nc1ccccc1F)S2 6811998 ZZZOONKREHEHRT-MSOLQXFVSA-N 413.478 3.386 0 40 HGAB COc1ccc(CCN(C)C(=O)C2CCN(C(=O)OC(C)(C)C)CC2)cc1OC 8144317 HZHXISKLPXHALI-UHFFFAOYSA-N 406.523 3.352 0 40 HGAB CSc1nc(NC(C)C)c2cnn(CCNC(=O)c3ccc(F)cc3F)c2n1 8942087 MYDROLWYMFUCLQ-UHFFFAOYSA-N 406.462 3.077 0 40 HGAB CCOc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3[C@H](C=C(C)C)C3(C)C)CC2)cc1 8993952 UQEHBFXHMLSYEX-VQTJNVASSA-N 420.575 3.157 0 40 HGAB COCCNC(=O)Nc1c(C(=O)OC)sc2nc(-c3ccccc3)nc(C)c12 9302554 WJHSZMXTCUUQMZ-UHFFFAOYSA-N 400.460 3.221 0 40 HGAB CC(C)c1cc(C(=O)N2CCN(C(=O)c3ccco3)CC2)c2cnn(C(C)C)c2n1 9531288 BFPXWZYCYHXLRP-UHFFFAOYSA-N 409.490 3.327 0 40 HGAB CN(C[C@@H]1COc2ccccc2O1)C(=O)Cn1c(-c2cscn2)nc2ccccc21 9548401 BTQHZYFOPYOAAT-OAHLLOKOSA-N 420.494 3.458 0 40 HGAB NS(=O)(=O)c1ccc(CCC(=O)N[C@@H](c2ccc(F)cc2)c2cccs2)cc1 10291379 FXFDAQGPNXSOGS-FQEVSTJZSA-N 418.515 3.373 0 40 HGAB COc1ccc(C)cc1NC(=O)NCCNc1ccc(Nc2cc(C)ccn2)nn1 11696800 HMCLZNYLFZMBDJ-UHFFFAOYSA-N 407.478 3.474 0 40 HGAB Cn1c(N2CCC[C@H](C(=O)Nc3ccc(N4CCOCC4)cc3)C2)nc2ccccc21 12116429 BKOZEIAPVFIOIV-SFHVURJKSA-N 419.529 3.265 0 40 HGAB Cc1nc(Oc2ccccc2)cc(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)n1 12225107 CSXYLIHTGNRRKV-UHFFFAOYSA-N 424.526 3.229 0 40 HGAB CCC(CC)[C@@H](CNC(=O)c1ccc(F)cc1Br)N1CCOCC1 12733827 PZZJRDZGNGSRDV-QGZVFWFLSA-N 401.320 3.455 0 40 HGAB CCn1nnc2cc(C(=O)N(C)CC(=O)Nc3ccc(OC(F)(F)F)cc3)ccc21 12799400 QNPWCYVYIRIMHQ-UHFFFAOYSA-N 421.379 3.061 0 40 HGAB COC(=O)CC[C@H](NC(=O)[C@@H](Sc1ccccc1)c1ccccc1)C(=O)OC 12804131 HBVXVZIOZGLCKJ-HKUYNNGSSA-N 401.484 3.131 0 40 HGAB CCCCC(=O)N1CCC[C@@H](c2nc(O)c3nnn(Cc4ccc(F)cc4)c3n2)C1 13083507 QVEPCQVEVCRMQF-OAHLLOKOSA-N 412.469 3.011 0 40 HGAB CC(C)CNC(=O)C1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CC1 13679146 LAYRUDGQIJYDED-UHFFFAOYSA-N 407.363 3.307 0 40 HGAB CCOC(=O)C1=C(C)n2c(s/c(=C/c3ccc(F)cc3)c2=O)=N[C@@H]1c1ccccc1 13739480 AQVUDAOWGNGFOP-ITICKHJUSA-N 422.481 3.046 0 40 HGAB O=C(CCC(=O)N1CCN(Cc2ccc3c(c2)CCO3)CC1)c1ccc2c(c1)CCC2 14022990 PAGTUSLOWQZUFV-UHFFFAOYSA-N 418.537 3.418 0 40 HGAB CC[C@]1(C)NC(=O)N(CC(=O)N2N=C(c3cccs3)C[C@H]2c2cccs2)C1=O 14067870 VAJROAJVRFRKNB-DJJJIMSYSA-N 416.528 3.208 0 40 HGAB Cc1cc(S(=O)(=O)[C@@H](CNC(=O)COc2ccccc2)c2ccco2)ccc1F 15781246 NLZUGXSFRNHDOX-FQEVSTJZSA-N 417.458 3.437 0 40 HGAB COc1ccc(NC(=O)c2ccc(N3C(=O)C(C)(C)CS3(=O)=O)cc2)cc1Cl 15843216 SFAXUYKMKPQSEX-UHFFFAOYSA-N 422.890 3.304 0 40 HGAB CCCNc1c(NS(=O)(=O)c2cccc3nsnc23)c(=O)oc2ccccc12 15862879 SQWOFDFILGPWTD-UHFFFAOYSA-N 416.484 3.420 0 40 HGAB COc1cc(=O)n(-c2ccccc2)nc1C(=O)Nc1cccc(Br)c1 15881266 RIFRPWZVMXAFFL-UHFFFAOYSA-N 400.232 3.256 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCCN(CCOc3ccccc3Cl)CC2)cc1 16427148 DHVXSHDEESZIFU-UHFFFAOYSA-N 408.951 3.424 0 40 HGAB COc1ccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CCCN(C)C)cc1 16752959 AEDICOFGHJTWSP-FQEVSTJZSA-N 410.445 3.438 0 40 HGAB O=C(Cc1ccccc1F)N[C@H](Cc1cc(=O)[nH]c(N2CCCC2)n1)c1ccccc1 19369359 ZHFYEEJBNQNCOC-OAQYLSRUSA-N 420.488 3.152 0 40 HGAB O=C(c1occ2ccccc12)N1CCC([C@@H]2Nc3ccccc3S(=O)(=O)N2)CC1 19376618 ULSKCMSEQBASGC-HXUWFJFHSA-N 411.483 3.015 0 40 HGAB CC(C)N1CCc2nc3cc([C@@H]4CCCN4C(=O)C4CCCCC4)nn3c(O)c2C1 19448109 XWSYJDGUXKRLHF-FQEVSTJZSA-N 411.550 3.445 0 40 HGAB COc1cccc(-c2noc(CCC(=O)Nc3ccc4c(c3)NC(=O)[C@H](C)O4)n2)c1 19462151 MQIFRFARAWUMRC-LBPRGKRZSA-N 408.414 3.036 0 40 HGAB COc1cccc(CNC(=O)c2cc([C@H]3CCCN(Cc4cnn(C)c4C)C3)no2)c1 19553699 ZBFDUMZCRGZRER-SFHVURJKSA-N 423.517 3.035 0 40 HGAB COc1ccc2nc(CN3[C@H]4CC[C@@H]3c3cnc(N5CCOCC5)nc3C4)ccc2c1 19563657 LVJOOLAQNQCXEY-FDDCHVKYSA-N 417.513 3.132 0 40 HGAB CN(C)C(=O)[C@]1(Cc2ccccc2-c2cncnc2)CCCN(C(=O)C2CCC2)C1 19578887 YJZZJYVLZCOBSJ-DEOSSOPVSA-N 406.530 3.183 0 40 HGAB C[C@@H](c1cc(=O)[nH]c(NCc2ccccc2Cl)n1)n1ncc2ccccc2c1=O 19717502 QLPMOEXKJXQBGQ-ZDUSSCGKSA-N 407.861 3.355 0 40 HGAB CC(C)(C)c1csc(CCNC(=O)[C@H]2CC(=O)N(Cc3cccc(F)c3)C2)n1 19718378 PPXUUDVTKCCFLK-HNNXBMFYSA-N 403.523 3.287 0 40 HGAB Cc1nc([C@@H]2CCN(Cc3ccnn3C)C2)nc2c1CCC(=O)N2CC1CCCCC1 19738839 MFQOUBVBFOSGJR-LJQANCHMSA-N 422.577 3.368 0 40 HGAB Cc1ccccc1CS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(F)cc2F)C1 19858074 WFPMPBANXMWPRM-OAHLLOKOSA-N 408.470 3.454 0 40 HGAB CCOc1ccc([C@@H](C)NC(=O)CN(c2ccc(F)c(F)c2)S(C)(=O)=O)cc1 20485541 HUAZNCVSNYAAES-CYBMUJFWSA-N 412.458 3.007 0 40 HGAB COCCN1CNC2=N[C@H](c3ccc(Cl)cc3F)n3c(nc4ccccc43)N2C1 20715144 XXQONOYOMLLMOO-SFHVURJKSA-N 414.872 3.018 0 40 HGAB O=C(Nc1nnc(S(=O)(=O)N2CCCCCC2)s1)c1cccc(Cl)c1 20902115 YOEPJIJAAIWCSB-UHFFFAOYSA-N 400.913 3.009 0 40 HGAB CCOc1ccc(Cn2c(=O)c3sccc3n3c(S)nnc23)cc1OCC 21729893 MQILGCVJCPSKQI-UHFFFAOYSA-N 402.501 3.240 0 40 HGAB CS(=O)(=O)N(CC(=O)N[C@@H]1CCCc2ccccc21)c1ccc(F)c(Cl)c1 22365891 MAZPUKNLYLQTQG-GOSISDBHSA-N 410.898 3.439 0 40 HGAB Oc1c([C@@H](c2ccc(F)cc2)N2CCC(O)CC2)sc2nc(-c3ccco3)nn12 22852281 YYYAVTGXSSJOQF-MRXNPFEDSA-N 414.462 3.442 0 40 HGAB C[C@@H]1CN(C(=O)[C@@H](C)N2CCN(C(c3ccccc3)c3ccccc3)CC2)C[C@@H](C)O1 22916874 XBFRELWUKAWEQY-YPAWHYETSA-N 421.585 3.418 0 40 HGAB O=C1COc2cc(C(=O)N[C@@H]3CCCc4c3cnn4Cc3ccccc3)ccc2N1 24561984 XWIRFQLQADBINW-GOSISDBHSA-N 402.454 3.070 0 40 HGAB O=C(NCCOc1ccccc1F)[C@@H]1CC(=O)N(c2ccccc2Br)C1 29979730 UOVQXXUHSMJESC-CYBMUJFWSA-N 421.266 3.136 0 40 HGAB CC(=O)c1ccc(-c2ccc(C(=O)N3CCN(C(=O)c4ccc(O)cc4)CC3)o2)cc1 30661482 KIVZYXOUAROVLO-UHFFFAOYSA-N 418.449 3.453 0 40 HGAB COc1ccc(/C=C/C(=O)N[C@H](C)C(=O)Nc2ccc3c(c2)OC(F)(F)O3)cc1 32747618 RQFAZZRXRNTEIY-SBKJXLNCSA-N 404.369 3.173 0 40 HGAB COc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)NCc2cccnc2)c1 33023912 WDEZTYJCHUUVHC-UHFFFAOYSA-N 411.483 3.129 0 40 HGAB COCc1nnc(NC(=O)[C@H]2c3ccccc3C(=O)N(C)[C@H]2c2ccccc2)s1 36360110 HIYOPYUBLHYXPV-ROUUACIJSA-N 408.483 3.234 0 40 HGAB O=C(Cc1ccc(F)cc1)NCCN1C(=O)S/C(=C/c2ccc(F)cc2)C1=O 39199104 TYTLDYSHPCKGCJ-GZTJUZNOSA-N 402.422 3.360 0 40 HGAB COc1cc2c(cc1NC(=O)N1CCN(C(=O)[C@@H]3CCCO3)CC1)oc1ccccc12 40097955 HYBSCXPDUPTBMW-IBGZPJMESA-N 423.469 3.450 0 40 HGAB O=C(c1cnn(-c2ccccc2)n1)N1CCC[C@@H](c2nnc(-c3cccs3)o2)C1 42379892 PJXBROULANBJGW-CQSZACIVSA-N 406.471 3.399 0 40 HGAB COC(=O)c1[nH]c2ccccc2c1NC(=O)CN1CCN(c2cccc(C)c2)[C@@H](C)C1 57054143 PCQFRRDDNLOOAU-KRWDZBQOSA-N 420.513 3.412 0 40 HGAB Cc1cccc(N2CCN(C(=O)[C@H]3CC(=O)N(c4ccc(F)c(Cl)c4)C3)CC2)c1 57416592 RUURYVOQDZYMFD-INIZCTEOSA-N 415.896 3.489 0 40 HGAB Cc1ccc(C(=O)N2CCN(CC(=O)NCc3ccc(F)c(Cl)c3)CC2)cc1C 57486200 BWQUEOZUYQVTPL-UHFFFAOYSA-N 417.912 3.170 0 40 HGAB Cc1ccc(C)c(NC(=O)Cn2c(-c3ccc(F)cc3)nc(C)c(CCO)c2=O)c1 67300971 XOVWAMSBNIWBAJ-UHFFFAOYSA-N 409.461 3.148 0 40 HGAB Cc1ccc(NC(=O)CN2N=C(c3nc(-c4ccccc4)no3)CCC2=O)cc1C 71328261 GGBWDBKTQCVLDU-UHFFFAOYSA-N 403.442 3.319 0 40 HGAB COc1cc(CCC(=O)NCc2ccc(-c3nn(C)cc3-c3ccncc3)cc2)on1 72344957 DHWDDYJTLQGJSE-UHFFFAOYSA-N 417.469 3.395 0 40 HGAB COc1cccc(-c2cncc([C@H]3CCCN(CC(=O)Nc4nccs4)C3)n2)c1 72359418 RITPDLLERZFTLR-INIZCTEOSA-N 409.515 3.427 0 40 HGAB Cn1nc(N2CCC[C@@H](C(=O)Nc3ccc4c(c3)Cc3ccccc3-4)C2)ccc1=O 77100958 KWZXPEIRXVEGFW-QGZVFWFLSA-N 400.482 3.207 0 40 HGAB CCN(CC)CCN(Cc1ccccc1)c1ncnc2c1c(Br)nn2C 79076444 JGMPCKAORQPAOG-UHFFFAOYSA-N 417.355 3.474 0 40 HGAB CCc1ccccc1NC(=O)N1CC[C@@]2(C1)CN(c1cccc(F)c1)C(=O)CN2C 96237968 BUXHHMDRUVIBAK-HSZRJFAPSA-N 410.493 3.343 0 40 HGAB COc1cc(/C=C2/SC(=S)N(CCCCCC(=O)O)C2=O)cc(OC)c1O 96663447 RUMQMFVBWUZHHW-GXDHUFHOSA-N 411.501 3.256 0 40 HGAB COc1ccc(-c2cc(N3CCC(NC(=O)c4ccc5c(c4)OCO5)CC3)[nH]n2)cc1 98212748 KCZYXHVKTGPFSX-UHFFFAOYSA-N 420.469 3.213 0 40 HGAB Cc1c(-c2cccs2)nn2c(O)cc([C@H]3CC(=O)N(Cc4ccncc4)C3)nc12 100776378 COCQZLISGQCFIW-HNNXBMFYSA-N 405.483 3.383 0 40 HGAB O=c1c(CN2CCCCC2)coc(O)c1CN1CCN(c2cccc(Cl)c2)CC1 101374469 YHXICRYXXRZDSQ-UHFFFAOYSA-N 417.937 3.307 0 40 HGAB C[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O 102085695 NULPPYSPHVETMP-MACSQQGQSA-N 405.281 3.374 0 40 HGAB O=C1C[C@H](Sc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2)[C@H]2CO[C@H]1O2 102998760 PBCOBQHRAKETTK-IPYPFGDCSA-N 400.353 3.477 0 40 HGAB COc1cccc(N(CCCC(=O)NCc2ccc(Cl)cc2)S(C)(=O)=O)c1 113966995 YVUSWTDWPARLLN-UHFFFAOYSA-N 410.923 3.211 0 40 HGAB Cc1ccc(OCCNC(=O)c2cccc(S(=O)(=O)N3CCC(C)CC3)c2)cc1 220001330 KILQOHODYQXQSO-UHFFFAOYSA-N 416.543 3.224 0 40 HGAB CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2cc(C(=O)O)cc(C(=O)O)c2)o1 222760020 QJIQZEGMWIWZOD-ZWKOTPCHSA-N 423.450 3.340 0 40 HGAB CN(C)CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccncc1 223215594 DQHAHPRVTWLOBC-NHCUHLMSSA-N 406.559 3.192 0 40 HGAB COc1ccc(NS(=O)(=O)c2ccc3c(c2)sc(=O)n3C(C)C)cc1OC 225703237 KEGLTGFVCFOXEI-UHFFFAOYSA-N 408.501 3.462 0 40 HGAB Cc1nc([C@@H]2CCCN(C(=O)C(C)C)C2)nc(C)c1CC(=O)NC1CCCCC1 257206705 BEPZNLKAHHTWPO-GOSISDBHSA-N 400.567 3.447 0 40 HGAB CCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccccc2OC)c(Cl)c1 408558905 SZMOUYGYLCRXAV-UHFFFAOYSA-N 412.895 3.054 0 40 HGAB CC(C)CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)NCc2ccccc2Cl)cc1 408591074 IHKWIYKBDCBJPU-HNNXBMFYSA-N 424.950 3.358 0 40 HGAB COC(=O)c1ccc(/C=C2\SC(=O)N(CC(=O)N(C(C)C)C(C)C)C2=O)cc1 409211250 MRPDBYYAWAABSC-YBEGLDIGSA-N 404.488 3.155 0 40 HGAB O=C(CSCC(=O)N[C@@H]1C[C@@H]1Cc1ccccc1)N[C@@H]1C[C@@H]1Cc1ccccc1 534527743 QYUUSKJCZAPHFQ-FNAHDJPLSA-N 408.567 3.214 0 40 HGAB C1CO[C@H]([C@@H]2N(CCOCCN3CC4(CCC4)[C@@H]3[C@H]3CCCO3)CC23CCC3)C1 562907380 GQIISTRZWIYEDC-LRSLUSHPSA-N 404.595 3.070 0 40 HGAB COC(=O)c1ccc(OC)c(S(=O)(=O)NCc2ccc(-c3ccoc3)cc2)c1 575414202 PFSPIBYAWKEXND-UHFFFAOYSA-N 401.440 3.220 0 40 HGAB Cn1cnc([C@H]2C[C@]3(CCCN(CC4CC4)C3=O)CN2C(=O)c2cccc(F)c2)c1 585106422 FPPYNMLGBJTDKF-NFBKMPQASA-N 410.493 3.165 0 40 HGAB CCN1CCN(Cc2cccn2-c2ncccc2C)CCOc2ccccc2CC1=O 643568802 FZTDUULKWSORGJ-UHFFFAOYSA-N 418.541 3.466 0 40 HGAB CCc1ccc(C(=O)N2CCC3(CC2)C[C@@H](COC)N(Cc2cccnc2)C3)cn1 1614930152 TTWVYCGIUKZRHT-QFIPXVFZSA-N 408.546 3.182 0 40 HGAB CCc1nccn1-c1cncc(C2CCN(C(=O)[C@@H](C)Oc3ccccc3)CC2)n1 2037838724 YEVIAOFGADWEGC-QGZVFWFLSA-N 405.502 3.398 0 40 HGAB O=C1N(c2ccccc2)CCCC[C@@]12CN(Cc1ccc3c(c1)OCCO3)CCO2 2037983881 JTWZZFQVLFOMDE-XMMPIXPASA-N 408.498 3.246 0 40 HGAB CCOC(=O)[C@@H](Sc1nc(N)c2c3c(sc2n1)CO[C@@](C)(CC)C3)C(C)=O 2405092 GNJHQNOXQGXBGD-UGSOOPFHSA-N 409.533 3.128 0 40 HGAB COc1cccc(-c2cc(C(=O)N[C@@H](C)c3ccn(C)n3)c3c(C)nn(C)c3n2)c1 36616910 DLBLAUYOOCUVKR-ZDUSSCGKSA-N 404.474 3.177 0 40 HGAB CCOc1ccc2[nH]c(=O)c(CN(Cc3ccccc3)C(=O)N3CCOCC3)cc2c1 1367137 OVCFYAMAWBCZTL-UHFFFAOYSA-N 421.497 3.381 0 40 HGAB Cc1cc2c(cc1Cl)SC(NNc1cnc3ccccc3n1)=NS2(=O)=O 1645196 DTEIQDMTAPBWNV-UHFFFAOYSA-N 405.892 3.359 0 40 HGAB CCOc1ccccc1NC(=O)Cn1ncn2nc(-c3cc(C)ccc3C)cc2c1=O 51317036 IPLXUMGEEWTHPJ-UHFFFAOYSA-N 417.469 3.212 0 40 HGAB CCCCOC(=O)[C@@H]1[C@H]2C=C[C@]3(CN(c4ccccc4Br)C(=O)[C@H]13)O2 4555081 MHDKNIXLWMBFDU-OAFZBRQQSA-N 406.276 3.079 0 40 HGAB COc1ccc(-c2c3c(=O)n(Cc4ccccc4OC)ccc3nc3ncnn23)cc1 32101966 TXKMKXQVFSUQIE-UHFFFAOYSA-N 413.437 3.172 0 40 HGAB CCOC(=O)c1cccc(NC(=O)[C@@H](C)N(c2cc(C)cc(C)c2)S(C)(=O)=O)c1 10441269 CNPYYXPTGBYPFW-MRXNPFEDSA-N 418.515 3.273 0 40 HGAB C[C@H](NCc1cccs1)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 7780422 XYSVEYIZQRITKE-HNNXBMFYSA-N 407.561 3.040 0 40 HGAB Cc1ccc2cc(CN(Cc3ccco3)Cc3nnnn3C(C)(C)C)c(=O)[nH]c2c1 57607122 VLVIVVSFHYOAES-UHFFFAOYSA-N 406.490 3.373 0 40 HGAB Cc1cc(C(=O)COC(=O)CN2CSCC2=O)c(C)n1Cc1ccccc1Cl 32945476 IZJDEWQYOHEGNC-UHFFFAOYSA-N 420.918 3.065 0 40 HGAB Cc1cc(S(=O)(=O)NC2CCCCC2)ccc1OCC(=O)N1CCC(C)CC1 107723359 LTWBDOMZFKWOQR-UHFFFAOYSA-N 408.564 3.243 0 40 HGAB COc1ccc([C@H](C)NC(=O)[C@@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)cc1 20107684 KMNRGKJQJGTSBU-UONOGXRCSA-N 410.923 3.381 0 40 HGAB CC(=O)NCCC(=O)NC[C@H](c1ccc(Cl)cc1)N1CCc2sccc2C1 46721055 MNVVAZSBEGFOES-GOSISDBHSA-N 405.951 3.143 0 40 HGAB CC(C)NC(=O)CSC1=Nc2c(cnn2-c2ccc(Cl)cc2)C2=NCCCN12 12389372 FGAJTLTWERTUHZ-UHFFFAOYSA-N 416.938 3.237 0 40 HGAB C[C@H](Sc1nc2ccc(NS(C)(=O)=O)cc2s1)C(=O)Nc1nccs1 59489645 NSWHLZOQDWMUFV-QMMMGPOBSA-N 414.559 3.244 0 40 HGAB CO[C@H]1CC[C@H](C(=O)N2CCC[C@H]2C(=O)c2cnn(-c3ccc(C)cc3)c2N)CC1 100745337 OIOGGBCIBMICTG-HQRMLTQVSA-N 410.518 3.142 0 40 HGAB O[C@H]1C(c2ccccc2OCc2ccccc2)=NN[C@@H]1c1ccc2c(c1)OCCO2 940965 QWROANHOKQANMU-ISKFKSNPSA-N 402.450 3.446 0 40 HGAB O=C(NCc1cn2ccccc2n1)c1ccc(NS(=O)(=O)c2cccs2)cc1 23754399 BXWNLVIHHIEZOX-UHFFFAOYSA-N 412.496 3.127 0 40 HGAB COc1ccc(NCC(=O)Nc2ccc(N3CCOCC3)cc2)cc1OC(F)F 23902523 IPSOLZBZYWROOP-UHFFFAOYSA-N 407.417 3.184 0 40 HGAB CCCn1c(C)cc(C(=O)CN2C(=O)N[C@H](Cc3c[nH]c4ccccc34)C2=O)c1C 12567935 KIUICRZZWAAMFB-HXUWFJFHSA-N 406.486 3.342 0 40 HGAB CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NC(=O)c1cnc3ccc(Br)cn3c1=O)C2 107340503 JGTMBBKYOPBWMX-KLRAXDNASA-N 404.308 3.402 0 40 HGAB COc1ccc(C(=O)NCc2ccccc2C)cc1S(=O)(=O)NC1CCCC1 8131999 NLENRCYFGKBCHC-UHFFFAOYSA-N 402.516 3.155 0 40 HGAB Cc1cc(C(=O)COC(=O)c2cc3ccccc3oc2=O)c(C)n1C[C@H]1CCCO1 3298112 PHQKYKBUZFQBNV-QGZVFWFLSA-N 409.438 3.430 0 40 HGAB CCc1nnc(NC(=O)CCc2ccc(S(=O)(=O)N3CCCCCC3)cc2)s1 8189456 ZQIUDHCLKVMLOR-UHFFFAOYSA-N 422.576 3.237 0 40 HGAB COc1ccc(CN2CC(=O)N3[C@@H](Cc4c([nH]c5ccccc45)[C@H]3C)C2=O)cc1OC 2098490 TWFPAKJBNFOJBG-KUHUBIRLSA-N 419.481 3.042 0 40 HGAB biogenic O=C(CSc1nc2ncccn2n1)N(CC(F)(F)F)c1ccc(Cl)cc1 10079237 CJKHOONYUYUHQH-UHFFFAOYSA-N 401.801 3.465 0 40 HGAB Cc1ccc(CNC(=O)C2CCN(C(=O)c3cc(-c4cccnc4)on3)CC2)cc1F 58166765 IQSFGQOIFQACSH-UHFFFAOYSA-N 422.460 3.353 0 40 HGAB Cc1cc2nc(C)c(CCC(=O)N(C)Cc3ccccc3N3CCOCC3)c(C)n2n1 8133761 WKLRYMZMZNLMLI-UHFFFAOYSA-N 421.545 3.082 0 40 HGAB O=C(N[C@@H]1CCCc2ccccc21)C1CCN(S(=O)(=O)c2cccs2)CC1 3341468 UYAUOBKGHNAAAO-GOSISDBHSA-N 404.557 3.343 0 40 HGAB Cc1nc2sc3c(c2c2nc(C(=O)NCCCOC(C)C)nn12)CC(C)(C)OC3 2242019 GVAHRZVLNUJGIF-UHFFFAOYSA-N 417.535 3.044 0 40 HGAB Cc1ccccc1CN(C)C(=O)CN1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 12792348 VKIHNNSKLOYLND-UHFFFAOYSA-N 422.525 3.320 0 40 HGAB COc1ccc([C@H]2CCCN2C(=O)CNC(=O)c2ccc(OC(F)F)cc2)cc1 12747368 UMXJBKYRRNOFKV-GOSISDBHSA-N 404.413 3.390 0 40 HGAB O=C(c1cc(N2CCN(c3ccc(F)cc3)CC2)nc2ccccc12)N1CCOCC1 48332428 ROPGCXZPVMTMMU-UHFFFAOYSA-N 420.488 3.173 0 40 HGAB CC(C)c1ccc([C@]2(C)NC(=O)N(CC(=O)N(C)Cc3ccc(F)cc3)C2=O)cc1 12811426 NAEHFLYEMHTTDN-QHCPKHFHSA-N 411.477 3.375 0 40 HGAB O=C1CCCN1c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)cc1 12942547 AJJHQMCXBCXTMM-UHFFFAOYSA-N 409.305 3.054 0 40 HGAB O=C(c1cccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1)N1CCOCC1 3620993 ONXLIPMHKVHDDK-UHFFFAOYSA-N 415.298 3.267 0 40 HGAB CN(C(=O)c1ccccn1)[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)c1ccccc1 3615056 NYBWYBFKYPGZTP-OAQYLSRUSA-N 403.438 3.305 0 40 HGAB CS(=O)(=O)N(CC(=O)Nc1ccc2c(c1)OCO2)c1ccc(Cl)cc1Cl 13565834 SYUFXEJCLDKPAQ-UHFFFAOYSA-N 417.270 3.127 0 40 HGAB COc1ccc2[nH]cc([C@H]3C(NC(=O)c4ccccc4)=C(C)N=C4NC=NN43)c2c1 13551888 LASUKLZTKBZUCY-FQEVSTJZSA-N 400.442 3.097 0 40 HGAB COc1ccc(CSC2=N[C@@H]3CS(=O)(=O)C[C@@H]3N2CCc2ccccc2)cc1 13692141 FKHKGDFJKYSBFG-UXHICEINSA-N 416.568 3.008 0 40 HGAB CCc1cccc(C)c1NC(=O)Cn1c(=O)c(N(CC)C(C)=O)nc2ccccc21 64987640 OKSJCXHKYJTTRI-UHFFFAOYSA-N 406.486 3.279 0 40 HGAB CCOC(=O)Nc1cccc(C(=O)N(C)CC(=O)Nc2ccc(F)c(F)c2F)c1 17968450 OXNOPKSBDHYXPD-UHFFFAOYSA-N 409.364 3.383 0 40 HGAB Oc1ccc(N2CCN(Cc3cc4c(cc3Br)OCCO4)CC2)cc1 21364938 TZIQMTSSJHXEQL-UHFFFAOYSA-N 405.292 3.248 0 40 HGAB CCOc1ccc(NC(=O)c2cc3c(=O)n4ccccc4nc3n2CCCOC)cc1 5325409 XMDJUIHNFSEKEI-UHFFFAOYSA-N 420.469 3.337 0 40 HGAB O=C(COC(=O)c1ccccc1NC(=O)c1ccccc1)NC(=O)C1CCCCC1 14198515 YUYHZWAYVBKYLT-UHFFFAOYSA-N 408.454 3.319 0 40 HGAB C/C(NCc1ccccc1)=C1/C(=O)NC(=O)N(c2ccc(C(F)(F)F)cc2)C1=O 6691215 NTYLLMGYKYRMNP-FOWTUZBSSA-N 403.360 3.352 0 40 HGAB O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1cc(Cl)ccc1Cl 5633621 MMNJXHSFQPQTNH-UHFFFAOYSA-N 415.298 3.267 0 40 HGAB COc1ccc(CCNC(=O)CCn2c(=O)oc3ccc(Cl)cc32)cc1OC 6764434 CFNDPUWLPBCDTJ-UHFFFAOYSA-N 404.850 3.014 0 40 HGAB c1ccc(-n2ncc3c(N4CCN(Cc5nc6ccccc6[nH]5)CC4)ncnc32)cc1 27178631 HJEKPBMCQSTCMO-UHFFFAOYSA-N 410.485 3.014 0 40 HGAB O=C(Nc1nc2ccccc2s1)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 8895224 UZEQLJWIRJSVFS-OAHLLOKOSA-N 405.476 3.227 0 40 HGAB C[C@H](OC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)C(=O)NC1CCCCC1 9011407 BZMXVHMOEQJFEM-AWEZNQCLSA-N 424.453 3.070 0 40 HGAB CN(Cc1nc2ccccc2s1)C(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 9512571 JGSGMISVMYSCCL-AWEZNQCLSA-N 423.494 3.079 0 40 HGAB Cc1ccc(-c2noc([C@H]3CCCN(S(=O)(=O)c4c(C)n[nH]c4C)C3)n2)cc1F 97001961 QYPKFNZJBHDOAR-HNNXBMFYSA-N 419.482 3.092 0 40 HGAB O=C(c1ccc(O)cc1)C1CCN(C(=O)COc2ccc(N3CCCC3=O)cc2)CC1 84387550 CAVIZHGPTPBQMK-UHFFFAOYSA-N 422.481 3.019 0 40 HGAB CC(C)[C@H](NC(=O)Nc1cccc(S(=O)(=O)C(F)F)c1)C(=O)OC(C)(C)C 95965908 BEGMJWCOBMZBNG-ZDUSSCGKSA-N 406.451 3.171 0 40 HGAB COC(=O)CN1C(=O)N/C(=C/c2ccccc2OCc2cccc3ccccc23)C1=O 408547902 AQUKCVPARHMMNP-DEDYPNTBSA-N 416.433 3.485 0 40 HGAB CN(CC(=O)Nc1ccccc1Cl)C(=O)CN[C@@H]1CCCC[C@@H]1C(F)(F)F 95941231 SSZRIIYEEQRPCW-GXTWGEPZSA-N 405.848 3.448 0 40 HGAB CC(C)Oc1ccc(N(CC(=O)NCCCc2ccc(F)cc2)S(C)(=O)=O)cc1 22401090 CJGRXUGPGRJZJK-UHFFFAOYSA-N 422.522 3.128 0 40 HGAB COCC(=O)N[C@@H]1CCCC[C@@]12CN(Cc1cccc(-c3ccncc3)c1)CCO2 306125307 CMFDUUOJNKVWAL-ISKFKSNPSA-N 409.530 3.025 0 40 HGAB CCN(CC)C(=O)Nc1ccc(S(=O)(=O)Nc2cccc(NC(C)=O)c2)cc1 408584640 SIVJCPMOSOIAOK-UHFFFAOYSA-N 404.492 3.320 0 40 HGAB COCCNC(=O)CCCCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]12 524731763 JWSPEZWWERQLTG-JOCHJYFZSA-N 421.497 3.124 0 40 HGAB biogenic CC(C)(C)OC(=O)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(N)=O 213682112 PBMBMXLGDKBTSS-LJQANCHMSA-N 410.470 3.111 0 40 HGAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCN(C)C)ccc2Cl)c(C)c1 37020528 QPAZTEAZBWIQLF-UHFFFAOYSA-N 409.939 3.049 0 40 HGAB O=C(Nc1nc(-c2ccco2)cs1)[C@@H]1CCCN(c2ccc(-n3ccnc3)nn2)C1 62022884 GHUDJPZLMUPWGS-CQSZACIVSA-N 421.486 3.234 0 40 HGAB COc1cc(NC(=O)CSc2ccc3nnc(C(C)C)n3n2)cc(OC)c1OC 44922247 VWRFIKGLUFHZBI-UHFFFAOYSA-N 417.491 3.004 0 40 HGAB CC(C)c1nnc(NC(=O)c2ccc(Cl)c(N3CCCCS3(=O)=O)c2)s1 71279889 GHCXVROJEBXXFS-UHFFFAOYSA-N 414.940 3.497 0 40 HGAB CCc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(Nc4ccc(C)cc4)[nH]c(=O)c32)cc1 40400387 DAUAGSKGULVRSI-QGZVFWFLSA-N 417.469 3.449 0 40 HGAB CC(C)[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N[C@H](C)c1ccc(Cl)cc1 40157444 IJTUQSIDAREXBH-ACJLOTCBSA-N 419.934 3.281 0 40 HGAB CN(C)[C@@H](CNC(=O)[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1)c1ccco1 44514951 HIYYAWKLQNEKLU-BBRMVZONSA-N 409.408 3.070 0 40 HGAB C[C@@H]1CN(C(=O)Cc2ccc(F)cc2)CC[C@@]12CC[C@H](C(=O)Nc1cccnc1)O2 96261099 AMBFRLPUGKWREO-LQNXUBFPSA-N 411.477 3.188 0 40 HGAB CCc1ccc(NC(=O)N2CCC[C@@]3(CC(C(=O)NCc4cccnc4)=NO3)C2)cc1 96225115 SPFJRLZONGJEDE-HSZRJFAPSA-N 421.501 3.103 0 40 HGAB COc1ccc(CN2CCC(NC(=O)CCc3c(C)noc3C)CC2)cc1OC 96118483 QUCITBMKJADLFX-UHFFFAOYSA-N 401.507 3.022 0 40 HGAB COc1cccc([C@]2(O)CCC[C@H]3CN(C(=O)c4ccc(Cn5ccnc5)o4)C[C@H]32)c1 248251760 PUOVVUAOMKNVBT-XVWGUNQUSA-N 421.497 3.293 0 40 HGAB CS(=O)(=O)N1C[C@@H](C(=O)N[C@H]2CCCc3ccccc32)Oc2ccc(Cl)cc21 250937004 GQIUBHDVAPYQJN-LPHOPBHVSA-N 420.918 3.061 0 40 HGAB CC(=O)N[C@@H](C(=O)N1CC[C@@H]2O[C@@H]3c4ccccc4OC(C)(C)[C@H]3C[C@@H]2C1)C(C)C 257276391 NTMNLSARQLHVRQ-ZLJPILQHSA-N 414.546 3.313 0 40 HGAB COc1ccc(Cc2cnc([C@H]3CCCN(C(=O)c4cc(C)nc(O)n4)C3)o2)cc1 257289611 PZKUQAKCXWYGIM-INIZCTEOSA-N 408.458 3.098 0 40 HGAB CN([C@H](C(=O)N[C@H]1CC(C)(C)Oc2ccccc21)c1ccccc1)S(C)(=O)=O 260815146 SRSXGYBVAWUADZ-HKUYNNGSSA-N 402.516 3.038 0 40 HGAB COCCN(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)Nc1ccc(C(=O)OC)cc1 604405084 WBAKMLPKKFXQPV-AZUAARDMSA-N 403.523 3.218 0 40 HGAB biogenic CC(C)CCOc1cccc(NC(=O)N2CCN([C@H](C(N)=O)c3ccccc3)CC2)c1 620287921 GFHZEKRYCZCEQD-QFIPXVFZSA-N 424.545 3.488 0 40 HGAB COc1cc(CN(C)C[C@@H](O)COC2CCCCC2)ccc1OCCCN(C)C 585272420 KQMVXTIGSBCUOE-HXUWFJFHSA-N 408.583 3.168 0 40 HGAB Cc1cccc(N(C)C(=O)C2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)c1C 55896793 OEVPYPPGDWBSGU-UHFFFAOYSA-N 411.527 3.127 0 40 HGAB O=C(NCCCNc1ccc(C(F)(F)F)cn1)Nc1ccccc1-n1cncn1 58086186 AUTHGEHELLSLKZ-UHFFFAOYSA-N 405.384 3.305 0 40 HGAB COC(=O)CN1C(=O)N/C(=C/c2cc(C)n(-c3cc(Cl)ccc3C)c2C)C1=O 6044541 RMAUGALYFRKGNZ-LZYBPNLTSA-N 401.850 3.122 0 40 HGAB O=c1[nH]c(-c2ccc(S(=O)(=O)N3CCCC3)cc2)nc2sc3c(c12)CCCC3 5009115 UYFYVXGLHCWRKZ-UHFFFAOYSA-N 415.540 3.315 0 40 HGAB O=S(=O)(c1ccc(-c2nnc(S)[nH]2)cc1)c1ccc(-c2n[nH]c(=S)[nH]2)cc1 16429321 ZMRKIMKHEODFFF-UHFFFAOYSA-N 416.513 3.041 0 40 HGAB CN1CCN(c2ccc(NC(=S)NC(=O)c3ccccc3F)cc2Cl)CC1 17087574 STJUNHQYMLFYDB-UHFFFAOYSA-N 406.914 3.358 0 40 HGAB O=C(CN1CCC(Oc2cnccn2)CC1)Nc1ccc(N2CCCCCC2)cc1 19658610 FHMUYWXNFIQNJD-UHFFFAOYSA-N 409.534 3.339 0 40 HGAB O=C(Cc1ccc(F)cc1)N1CCC(c2cc(C(F)(F)F)n3ncnc3n2)CC1 12188514 RIKNXLRQIXTQMC-UHFFFAOYSA-N 407.371 3.231 0 40 HGAB O=C(CSCC(=O)N1CCCCC1)Nc1nc(-c2ccc3c(c2)OCO3)cs1 2723402 IPWJBIBXKXBFET-UHFFFAOYSA-N 419.528 3.223 0 40 HGAB COc1ccc(-c2nc(C(N)=O)c3[nH]c(=O)n(-c4ccc(C(C)(C)C)cc4)c3n2)cc1 5143492 POQVKVYKHNVWLB-UHFFFAOYSA-N 417.469 3.181 0 40 HGAB O=S(=O)(c1ccc(F)cc1)c1nc(-c2ccc(F)cc2)oc1N1CCOCC1 8844563 MJFGXCNBYSVOJF-UHFFFAOYSA-N 406.410 3.289 0 40 HGAB CCS(=O)(=O)c1ccc(-c2cccc(NC(=O)c3ccc(F)cc3F)c2)nn1 9626906 LWWVFBOGYHZCGQ-UHFFFAOYSA-N 403.410 3.468 0 40 HGAB Cn1c(=O)n(Cc2ccc(F)cc2)c(=O)c2c1nc1oc(-c3ccc(Cl)cc3)cn12 9789770 PGQZNWANXWJLRC-UHFFFAOYSA-N 424.819 3.449 0 40 HGAB O=C(Nc1ccccc1F)N1CCC2(CC1)NC(=O)N(Cc1ccc(F)cc1)C2=O 17177968 HPJJVOKLPGOTFU-UHFFFAOYSA-N 414.412 3.083 0 40 HGAB COc1cccc(CSc2nc(O)cc(CC(=O)NCCc3ccccc3)n2)c1 23138114 NSATZLWBRGYQAS-UHFFFAOYSA-N 409.511 3.385 0 40 HGAB CCOc1ccc(NC2CCN([C@@H]3CC(=O)N(c4cccc(OC)c4)C3=O)CC2)cc1 100209925 RAVROXPFZZFPRP-JOCHJYFZSA-N 423.513 3.302 0 40 HGAB Cc1c(C(=O)N2CCN(C(=O)[C@H]3C[C@H]3c3cccs3)CC2)cnn1-c1ccccc1 38730943 CZTTYFULWOGXSJ-MOPGFXCFSA-N 420.538 3.330 0 40 HGAB O=C(CSCc1cc(=O)n2ccsc2n1)N(Cc1ccco1)Cc1ccco1 30469903 WQRTXLZIXOWBTR-UHFFFAOYSA-N 415.496 3.404 0 40 HGAB COc1ccc(N2C(=O)CC[C@H](C(=O)N(C)C)[C@H]2c2ccc(OC)c(OC)c2)cc1 30806154 YEVKAUSDXJIQRJ-PGRDOPGGSA-N 412.486 3.285 0 40 HGAB CC(=O)c1cccc(NC(=O)[C@]23CCC(=O)N2c2ccccc2C(=O)N3C(C)C)c1 40309107 CARZWSKECHDFLE-QHCPKHFHSA-N 405.454 3.215 0 40 HGAB biogenic COc1ccccc1OC[C@H](O)Cn1c(=N)n(Cc2ccccc2)c2ccccc21 20324855 QSARQDDLCZSVDS-LJQANCHMSA-N 403.482 3.419 0 40 HGAB aggregator CC[C@H]1CCCCN1S(=O)(=O)c1ccc(S(=O)(=O)N2CCC(C)CC2)cc1 920946 OXTUWWLMLROBLC-KRWDZBQOSA-N 414.593 3.060 0 40 HGAB CCn1c(COc2cccc(OC)c2)nnc1SCC(=O)NC1CCCCC1 929014 IVLMVEUPGZUEFZ-UHFFFAOYSA-N 404.536 3.427 0 40 HGAB CC(=O)Oc1cccc(N2C(=O)c3ccc(C(=O)Nc4cccnc4)cc3C2=O)c1 1058296 PTIXKNRWSPTHGF-UHFFFAOYSA-N 401.378 3.060 0 40 HGAB CCOc1ccccc1CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1 3048433 MNMHKYBPBABQKA-LJQANCHMSA-N 416.543 3.111 0 40 HGAB CN1C(=O)N[C@H](c2ccc(F)cc2)[C@H](C(=O)c2cccs2)[C@]1(O)C(F)(F)F 4162519 LWGIRDKQTGACFI-IOASZLSFSA-N 402.369 3.333 0 40 HGAB CCc1nnc(NC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)s1 4162614 VVBKWGCXTDLOEN-UHFFFAOYSA-N 414.512 3.104 0 40 HGAB COc1ccccc1NC(=O)COc1coc(CN2CCc3ccccc32)cc1=O 4304383 DRNMINOZDCZQOO-UHFFFAOYSA-N 406.438 3.229 0 40 HGAB COC(=O)CN1C(=O)S/C(=C/c2ccc(OC(C)C)c(Br)c2)C1=O 4694761 LNADEXVMGSYKEM-NTUHNPAUSA-N 414.277 3.446 0 40 HGAB Cc1ccc(O[C@@H](C)C(=O)N(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)cc1C 5025708 UHCCNVAJOSCQAE-IRXDYDNUSA-N 407.557 3.348 0 40 HGAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CSc1nnc(Cc2ccccc2)n1C 5169850 GJWQABODACYCHB-OAHLLOKOSA-N 421.526 3.262 0 40 HGAB COC(=O)CN1C(=O)S/C(=C/c2cc(Br)cc(Cl)c2O)C1=O 6007884 BVGUJKJDIWVWAO-YCRREMRBSA-N 406.641 3.017 0 40 HGAB C[C@H](NC(=O)c1ccccc1Cl)c1nnc(SCC(=O)NC2CCCC2)n1C 6260589 OFBGHWULMMUNCT-LBPRGKRZSA-N 421.954 3.110 0 40 HGAB COc1ccccc1CNC(=O)CSCc1nc2sc(C)c(C)c2c(=O)[nH]1 6618844 FTDRSGCWLKVUOK-UHFFFAOYSA-N 403.529 3.160 0 40 HGAB C[C@@H](Oc1ccc2c3c(c(=O)oc2c1)CCCC3)C(=O)NC[C@H](O)c1ccccc1 6660051 YBPCEWKQGBHPHP-VFNWGFHPSA-N 407.466 3.289 0 40 HGAB Cc1ccc(OCC(=O)N(Cc2ccccc2F)[C@H]2CCS(=O)(=O)C2)cc1C 6811071 WUELOKFDTYZHIR-SFHVURJKSA-N 405.491 3.037 0 40 HGAB O=C(CSc1nc2ncc(Cl)cc2[nH]1)Nc1ccc(N2CCCC2=O)cc1 6932703 GSTKAHFOFUTFIK-UHFFFAOYSA-N 401.879 3.469 0 40 HGAB O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1C[C@@H](O)COc1ccccc1F 7195867 AWRYUBGQFVBZIP-LJQANCHMSA-N 420.440 3.061 0 40 HGAB COc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccc(Cl)cc4)ccn3n2)cc1 7615956 FMGAOYDUTGCYQL-UHFFFAOYSA-N 408.845 3.464 0 40 HGAB CCc1ccc(N(CC(=O)NCCCOC(C)C)S(=O)(=O)c2ccccc2)cc1 8085523 AXDQMYUIIHULOA-UHFFFAOYSA-N 418.559 3.376 0 40 HGAB Cc1ccc(C)c(N2C[C@@H](C(=O)OCC(=O)Nc3cccc(Cl)c3)CC2=O)c1 8433779 ZGFJSUARYHLBRZ-HNNXBMFYSA-N 400.862 3.492 0 40 HGAB COc1ccc(CCN(Cc2nc3ccccc3c(=O)[nH]2)C(=O)c2ccco2)cc1 8667223 CYORYTBEBZCOCF-UHFFFAOYSA-N 403.438 3.410 0 40 HGAB CN(C(=O)COC(=O)c1ccccc1SCC(=O)N1CCCC1)c1ccccc1 9351218 FTAMKCMQBWEYER-UHFFFAOYSA-N 412.511 3.221 0 40 HGAB COc1cc(C(=O)Nc2cccc(-c3nn4cnnc4s3)c2)cc(OC)c1OC 10128291 ZFUGEMFEYOFIIL-UHFFFAOYSA-N 411.443 3.131 0 40 HGAB CCS(=O)(=O)c1ccc(NC(=O)[C@H](NC(=O)c2cccc(C)c2)C(C)C)cc1 11541826 XLLOOHDICSXXFP-LJQANCHMSA-N 402.516 3.182 0 40 HGAB C[C@H](NC(=O)Cc1cccc2ccccc12)C(=O)NCc1cnn(-c2ccccc2)c1 11563662 MIUASWIQGMDATB-SFHVURJKSA-N 412.493 3.389 0 40 HGAB CN(C)[C@@H](CNC(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O)Cc1ccccc1 11603673 VRYDKPWOVSCXOR-VQIMIIECSA-N 417.962 3.432 0 40 HGAB Cc1ccnc(-n2cccc2CN2CCc3c(nc(N4CCC[C@@H](C)C4)[nH]c3=O)C2)c1 12088717 GNAZTAOUNDEVMZ-GOSISDBHSA-N 418.545 3.059 0 40 HGAB CO[C@H]1CCC[C@@H](C(=O)N2CCC[C@H]2Cn2nc(-c3cccs3)ccc2=O)C1 12144960 TZXPOYGTKBUSBE-IKGGRYGDSA-N 401.532 3.168 0 40 HGAB CS(=O)(=O)c1ccc(CC(=O)Nc2sc(-c3ccccc3)cc2C(N)=O)cc1 12232724 FXJPOFRYAALMQO-UHFFFAOYSA-N 414.508 3.099 0 40 HGAB C[C@H]1CCCC[C@H]1NC(=O)CN1C(=O)COc2ccc(C(=O)c3cccs3)cc21 12239778 ILHUGTYVEJJBND-GOEBONIOSA-N 412.511 3.399 0 40 HGAB Cc1ccc(-c2n[nH]c(=S)n2CC(=O)N2CCN(c3ccccc3F)CC2)cc1 12589012 XUZIYLHWHQAHPR-UHFFFAOYSA-N 411.506 3.404 0 40 HGAB CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)cc1 12653198 ISDZIFAAPCWBTQ-UHFFFAOYSA-N 408.545 3.325 0 40 HGAB COc1ccc2c(c1OC)C(=O)O[C@@H]2N1C(=O)CC[C@H]1C(=O)Nc1cc(C)ccc1C 12662106 HLGXCWYPDZVPGK-AOMKIAJQSA-N 424.453 3.119 0 40 HGAB biogenic COc1ccc(C(=O)N2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)c(OC)c1 12749824 YHGWUTQSNZKGSR-UHFFFAOYSA-N 411.454 3.210 0 40 HGAB CCCCN1C(=O)c2ccc(C(=O)NCC(=O)Nc3cccc(C)c3C)cc2C1=O 12757694 LMICRHHXGTWROV-UHFFFAOYSA-N 407.470 3.068 0 40 HGAB Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)NCCCN3CCCC3=O)cc12 12848351 AYRQMCGDPXXURQ-UHFFFAOYSA-N 414.506 3.336 0 40 HGAB C[C@H]1CN(C(=O)c2ccccc2NC(=O)CCc2ccc3c(c2)OCO3)C[C@H](C)O1 12904840 KLWDENZERPOAMA-HOTGVXAUSA-N 410.470 3.236 0 40 HGAB COc1ccc([C@@H](CNC(=O)c2cc3c(s2)CCCC3)N2CCOCC2)cc1 12977526 LUHJHEYBVZADCJ-LJQANCHMSA-N 400.544 3.439 0 40 HGAB CCOc1ccccc1N1C[C@H](C(=O)Nc2ccc(N3CCCC3=O)cc2)CC1=O 12994206 RYLNADZNWHMITG-MRXNPFEDSA-N 407.470 3.204 0 40 HGAB COC(=O)c1ccc(N2CCOCC2)c(NC(=O)c2cc(Cl)ccc2OC)c1 13946257 KNQGBZIFBPJPNW-UHFFFAOYSA-N 404.850 3.224 0 40 HGAB COc1cc(/C=C2\CCn3c2nc2cc(C(=O)O)ccc2c3=O)cc(OC)c1OC 14139110 PQTGBNHHFRBVSU-MDWZMJQESA-N 408.410 3.065 0 40 HGAB Cc1cc(C)n(CCCNC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)n1 14141841 DFIFBGMMXVLMPL-UHFFFAOYSA-N 409.456 3.337 0 40 HGAB NS(=O)(=O)c1cccc(NC(=O)c2ccc3c(c2)C[C@H](c2ccccc2)OC3=O)c1 15630060 SUOCKTUZKYKOBZ-HXUWFJFHSA-N 422.462 3.041 0 40 HGAB CCCc1nn(CC(=O)Nc2cc(OC)ccc2OC)c(=S)n1-n1cccc1 16777280 IREYZXHEHGWYRE-UHFFFAOYSA-N 401.492 3.135 0 40 HGAB CNC(=O)[C@@]1(Cc2ccc(-c3ccccc3F)cc2)CCCN(C(=O)CCOC)C1 19591076 GWOMXNPNEOFAJQ-XMMPIXPASA-N 412.505 3.427 0 40 HGAB CCc1nc2ccccc2n1[C@H](C)C(=O)Nc1ccc(N2CCCS2(=O)=O)cc1 19666287 HFCPPSFIWJSNIE-OAHLLOKOSA-N 412.515 3.338 0 40 HGAB CCOC(=O)[C@H]1CCc2sc3ncn(CC(=O)c4ccc(F)cc4)c(=O)c3c21 19797237 RUGPCVLFKHUQJY-ZDUSSCGKSA-N 400.431 3.073 0 40 HGAB C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@H](CN4CCN(Cc5ccccc5)CC4)[C@H]3[C@@H](O)[C@@]21C 20411328 WRMKBSBJQCLVBI-ZKNOEPHOSA-N 424.585 3.089 0 40 HGAB biogenic O=C1NC2(CCCCC2)C(=O)N1CN1CCN(Cc2cccc3ccccc23)CC1 22775573 XUNXKXQDJPXAMB-UHFFFAOYSA-N 406.530 3.170 0 40 HGAB CCOc1ccc(-n2ncc(C(=O)OCc3cn4cc(Cl)ccc4n3)c2C)nn1 23572015 IXLJFAQVQMVZGR-UHFFFAOYSA-N 412.837 3.028 0 40 HGAB O=S(=O)(N1CCCCCC1)N1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 24244796 VMDCTFUVMZLCHI-UHFFFAOYSA-N 406.379 3.232 0 40 HGAB CC1CCC(NC(=O)C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)CC1 25056846 RHAZMQGDXVLUKE-UHFFFAOYSA-N 410.444 3.054 0 40 HGAB Cc1c(N2C[C@@](O)(c3ccccc3)[N+]3=C2CCCCC3)c(=O)n(-c2ccccc2)n1C 27525039 NMMZSHYZHJBPGE-RUZDIDTESA-N 417.533 3.135 0 40 HGAB Cc1ccc([C@@H](CNC(=O)c2nn(-c3ccc(C)c(C)c3)ccc2=O)N(C)C)cc1 28292775 LJYHHWDNSHUPMP-OAQYLSRUSA-N 404.514 3.190 0 40 HGAB CCOC(=O)[C@@H]1[C@H](C)NC(=O)N[C@@H]1c1cn(-c2ccccc2)nc1-c1ccc(C)o1 28465753 UQFWCLJBQCFTQK-BOUXLOLZSA-N 408.458 3.362 0 40 HGAB COc1ccc(CSc2nnc(Nc3ccc(Cl)cc3)c(=O)n2N)cc1OC 28535898 FGUWUBNLVQVQRY-UHFFFAOYSA-N 419.894 3.059 0 40 HGAB CCOC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(C[C@H](O)c2ccccc2)CC1 28693626 HSGTZIBYSYCMMA-SFTDATJTSA-N 402.922 3.295 0 40 HGAB CC(=O)c1cc2c(cc1NC(=O)c1cn(-c3ccccc3C(F)(F)F)nn1)OCO2 31948665 MNVSQAGHWKCSGG-UHFFFAOYSA-N 418.331 3.470 0 40 HGAB Cc1noc(C)c1CN1CCN([C@H](C(=O)O)c2c[nH]c3cc(Cl)ccc23)CC1 32103119 BWGVYXOZCGKWIK-IBGZPJMESA-N 402.882 3.370 0 40 HGAB CCN(CC)C(=O)c1cc(S(=O)(=O)N2CCCC[C@H]2C)ccc1Br 36047953 IPQYEEJGAMFYLT-CYBMUJFWSA-N 417.369 3.494 0 40 HGAB O=C(CCCNC(=O)c1ccco1)Nc1ccc(N2CCc3sccc3C2)nc1 40052611 IEBPKUSAYHOQCV-UHFFFAOYSA-N 410.499 3.448 0 40 HGAB O=C(CCCn1c(=O)oc2ccccc21)NCc1ccc(N2CCCCCC2)nc1 40122063 VJECTMJFEUJRAB-UHFFFAOYSA-N 408.502 3.467 0 40 HGAB O=C(c1[nH]c2ccccc2c1Cl)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 40144127 FOUFEMXGRHIZGA-UHFFFAOYSA-N 421.881 3.107 0 40 HGAB C[C@H]1Oc2ccccc2N(CC(=O)N2CCCC[C@@H]2c2nc3ccccc3n2C)C1=O 40156275 WEEBCMGVPRVTEN-OXQOHEQNSA-N 418.497 3.441 0 40 HGAB O=C(Oc1ccc(Br)cc1)C1=C(c2ccccc2)S(=O)(=O)CCO1 40287653 VOKBAWBPZQDMSA-UHFFFAOYSA-N 409.257 3.168 0 40 HGAB COc1ccc2c(c1)CCCN2C(=O)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 44843710 VYMUYLPRZHFKNC-CQSZACIVSA-N 413.405 3.075 0 40 HGAB COc1ccc2nc(C)c(C(=O)NCc3ccc(N4CCO[C@@H](C)C4)nc3)cc2c1 46717389 DYEWLINVUKBKGN-HNNXBMFYSA-N 406.486 3.102 0 40 HGAB O=C([C@@H]1CCCO1)N1CCN(Cc2csc(Cc3ccc(Cl)cc3)n2)CC1 48061209 NTFCSLPPBVLMPQ-SFHVURJKSA-N 405.951 3.211 0 40 HGAB O=C(NCC1CC1)[C@H]1CCCN(c2nc3c(-c4ccccc4)csc3c(=O)[nH]2)C1 49421206 GMCIKKVSXJMLHA-INIZCTEOSA-N 408.527 3.394 0 40 HGAB O=C(c1cc(F)ccc1F)C1CCN(C(=O)c2ccc(N3CCNC3=O)cc2)CC1 53555496 FXQCSBVNLFOZIM-UHFFFAOYSA-N 413.424 3.230 0 40 HGAB COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)CN1CCN(c2ccccc2)CC1 57050824 QPRAMEDGVAMCER-UHFFFAOYSA-N 406.486 3.024 0 40 HGAB O=C(Cn1c(=O)n(CCc2cccs2)c(=O)c2ccccc21)Nc1ccccc1 57473273 ZKEGEDHUWIRYAT-UHFFFAOYSA-N 405.479 3.106 0 40 HGAB CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)N1CCN(c2ccccc2OC)CC1 57670948 DDVDPPSOEXYEIM-FQEVSTJZSA-N 422.533 3.012 0 40 HGAB CCOCCCNS(=O)(=O)c1ccc(NC(=O)c2ccccc2OCC)cc1 59241541 LQHZGIIMQSHHKR-UHFFFAOYSA-N 406.504 3.043 0 40 HGAB COc1ccc(NC(=O)CSCc2nc3sc(C(C)C)cc3c(=O)[nH]2)cn1 61721188 JMQXXGBFVBRMTE-UHFFFAOYSA-N 404.517 3.384 0 40 HGAB O=C(Nc1ncn(Cc2ccc(Br)cc2)n1)c1cc(=O)[nH]c2ccccc12 64463981 HOKNMIUDEAMBMQ-UHFFFAOYSA-N 424.258 3.183 0 40 HGAB COc1cccc(C(=O)CSc2nnc3c(=O)n(-c4ccc(F)cc4)ccn23)c1 64593274 WKSUTZFIQVFSEQ-UHFFFAOYSA-N 410.430 3.003 0 40 HGAB COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)CNC(=O)C1CCC1)CC2 72280524 LDLIDHIVLZJMDG-OAQYLSRUSA-N 414.527 3.156 0 40 HGAB COc1ccc(Br)c(C(=O)NCCc2csc(-n3cccn3)n2)c1 90703356 ALQKPELHYVCBKW-UHFFFAOYSA-N 407.293 3.072 0 40 HGAB CC(C)C(=O)Nc1nc(CC(=O)N[C@@H](CC(=O)O)c2ccc(Cl)s2)cs1 95463974 XVKVFYMTJWEJIA-JTQLQIEISA-N 415.924 3.327 0 40 HGAB COc1ccc2c(C)c(CCC(=O)N[C@H](C)c3nnc4ccccn34)c(=O)oc2c1C 95479879 ASIHMSKBCUDQOU-OAHLLOKOSA-N 420.469 3.271 0 40 HGAB Cc1cc(C)n(-c2ccc(NC(=O)Cn3c(C)nc4ccc(F)cc4c3=O)cc2)n1 95480969 GWJNSYSFJAKAFF-UHFFFAOYSA-N 405.433 3.285 0 40 HGAB Cc1cc(=O)c(O)c([C@H](CC(=O)N2CCOCC2)c2ccc(-c3ccccc3)o2)o1 96222707 MASFYCOFMSOBNG-QGZVFWFLSA-N 409.438 3.295 0 40 HGAB biogenic Cc1cccc(NC(=O)CN2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)c1C 96888430 CCDRWQKVSOBKHK-UHFFFAOYSA-N 404.514 3.110 0 40 HGAB COc1ccc(N2C(=O)C[C@H](c3c(C)nn(-c4nc5ccccc5o4)c3O)C2=O)cc1 100068935 PGSJLHRWEIXJMJ-OAHLLOKOSA-N 418.409 3.083 0 40 HGAB COc1ccc([C@@H]2[C@H]3C(=O)N(c4c(C)cc(C)cc4C)C(=O)[C@H]3N3CCCN23)cc1 100774198 DPVCZYOJVPHRRJ-FCEUIQTBSA-N 405.498 3.156 0 40 HGAB CNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN1C(=O)c2cccc3cccc1c23 222421184 UYAYNIJAIOHASJ-KRWDZBQOSA-N 415.493 3.272 0 40 HGAB CCOC(=O)c1ccccc1NC(=O)CCCN(c1ccccc1C)S(C)(=O)=O 222550341 SPFKDYNGDURAGE-UHFFFAOYSA-N 418.515 3.357 0 40 HGAB CCCCNS(=O)(=O)c1ccc(OCC(=O)N(C)c2ccc(C)c(C)c2)cc1 222723808 ITJXMMIANZPKKB-UHFFFAOYSA-N 404.532 3.424 0 40 HGAB COC(=O)CSc1nnc(NC(=O)CSCc2cccc(Cl)c2)s1 223180152 YPLIIYGLMKJVQX-UHFFFAOYSA-N 403.938 3.329 0 40 HGAB Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)Nc2c(F)cccc2F)s1 223392788 JXVPJOQKTLRNJZ-UHFFFAOYSA-N 410.427 3.178 0 40 HGAB COc1ccc(-c2noc(CN(C)S(=O)(=O)c3cc(C)c(OC)cc3C)n2)cc1 223594058 MLBBWJFZPIOYJB-UHFFFAOYSA-N 417.487 3.191 0 40 HGAB CN(C)c1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)cc1 223625397 WUKFGCFRORPLFZ-VXKWHMMOSA-N 421.570 3.293 0 40 HGAB COc1ccccc1N(CCCC(=O)NC12CC3CC(CC(C3)C1)C2)S(C)(=O)=O 223793028 FQUYBCDFHIFXEV-UHFFFAOYSA-N 420.575 3.326 0 40 HGAB CS(=O)(=O)N(CC(=O)Nc1ccc2c3c(cccc13)CC2)Cc1ccccc1F 225200842 JQBURYIXIAUKLE-UHFFFAOYSA-N 412.486 3.478 0 40 HGAB CC1(C)Cc2cccc(OCC(=O)NCC3CCN([C@@H]4CCSC4)CC3)c2O1 225571300 IKNDGAMZNWLFKI-GOSISDBHSA-N 404.576 3.113 0 40 HGAB Cc1ccccc1OC[C@H](C)NC(=S)Nc1cccc(N(C)S(C)(=O)=O)c1 225635764 OEIPKIYPJSMVAE-HNNXBMFYSA-N 407.561 3.145 0 40 HGAB CCOC(=O)[C@@H]1[C@@H](C)NC(=O)N[C@H]1c1cn(-c2ccccc2)nc1-c1ccc(C)o1 252444410 UQFWCLJBQCFTQK-DJKXOVBDSA-N 408.458 3.362 0 40 HGAB Cc1cc(-c2ccc(N)nc2)cc([C@@H]2CN(C(=O)COc3ccc(F)cc3)CCO2)n1 257205780 BANNWTUBJLIXGU-NRFANRHFSA-N 422.460 3.152 0 40 HGAB Cc1nccn1CCCC(=O)N1CCO[C@@H](c2ccc(Nc3ccccn3)cn2)C1 257208791 BNPCYYJKEIIWNQ-HXUWFJFHSA-N 406.490 3.105 0 40 HGAB COc1cccc(OC)c1C(=O)N1CCO[C@H](c2cccc(Nc3ccccn3)n2)C1 257301568 RZAAHZGFCZKBDW-IBGZPJMESA-N 420.469 3.451 0 40 HGAB Cc1ccccc1CC(=O)N1CCC2(CC1)CN(C)Cc1nnc(-c3ccccc3)n12 306130266 JALPRRPXHWTSFV-UHFFFAOYSA-N 415.541 3.259 0 40 HGAB COc1ccc(C)cc1NC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1C 408526659 BRBPSLRJQYEMLE-UHFFFAOYSA-N 418.515 3.114 0 40 HGAB CCS(=O)(=O)N(CC(=O)Nc1cc(Cl)ccc1C)c1ccc2c(c1)OCO2 408706261 YVMXZSIFJGVZBB-UHFFFAOYSA-N 410.879 3.172 0 40 HGAB Cc1noc(C)c1CN1CCC[C@]2(CCCN2C(=O)CNC(=O)c2ccccc2)CC1 585100467 KZGANLZVVDFTFF-DEOSSOPVSA-N 424.545 3.069 0 40 HGAB COC(=O)c1ccc(S(=O)(=O)NC[C@@H](O)c2ccc(-c3ccsc3)cc2)cc1 618255565 FLROLBAITODVOL-LJQANCHMSA-N 417.508 3.214 0 40 HGAB CC(=O)N1CCC(CC(=O)Nc2ccc(C)cc2)(N2Cc3ccccc3C2=O)CC1 1565524400 LXNSMDHLPDYDIP-UHFFFAOYSA-N 405.498 3.361 0 40 HGAB CC(C)N1CCC(N2CCOC[C@]3(CN(c4ccc(Cl)cc4)C(=O)O3)C2)CC1 1615154940 JXEBGLZOYIWVSE-OAQYLSRUSA-N 407.942 3.240 0 40 HGAB CC(C)n1cc(Br)c(C(=O)N2CC3(CN(Cc4ccccc4)C3)C2)n1 1615610823 OCDNBXFORDMJFX-UHFFFAOYSA-N 403.324 3.185 0 40 HGAB CC(C)(C)OC(=O)N1CCO[C@@H](c2cccc(Nc3ncc(C(=O)O)s3)n2)C1 2037835838 BIQCUYBXAHUVAP-GFCCVEGCSA-N 406.464 3.288 0 40 HGAB CN1C(=O)COc2ccccc2CCCCO[C@H]2CN(Cc3cccc(F)c3)C[C@@H]21 2037980878 LECVWTPDIAKDHK-GMAHTHKFSA-N 412.505 3.269 0 40 HGAB CSc1ncc(Br)c(N2CCC[C@@H](N(C)C(=O)C(C)(C)C)C2)n1 2087137593 MHSGRNHXFUUROV-LLVKDONJSA-N 401.374 3.434 0 40 HGAB Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccc(Cc3ccncc3)cc2)cc1 1346218 SEZLWMDLORXSBN-KRWDZBQOSA-N 409.511 3.286 0 40 HGAB CCCn1c(SCC(=O)Nc2ccc(C(=O)OC)cc2)nnc1-c1cccnc1 1361264 WSNOYCAZSGNUEL-UHFFFAOYSA-N 411.487 3.268 0 40 HGAB COc1ccc(NC(=O)CS[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 1435450 KFRPLSLEJJAKLM-MRXNPFEDSA-N 404.875 3.352 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCN(c3ncnc4sc(C)c(C)c34)CC2)c(C)c1 3332562 OTRWRATYVPCANO-UHFFFAOYSA-N 416.572 3.436 0 40 HGAB COc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3cccc4ccccc34)C2=O)cc1 3457420 ZIKFXHYFCPBCKP-HSZRJFAPSA-N 403.438 3.254 0 40 HGAB CC(C)[C@H](OC(=O)C[C@H]1Sc2ccccc2NC1=O)C(=O)NCc1ccccc1 4967079 KVCKDYJGCAHISW-QUCCMNQESA-N 412.511 3.374 0 40 HGAB CCOC(=O)c1sc(NC(=O)[C@H]2CC(=O)N(c3ccc(CC)cc3)C2)nc1C 4976688 BVFFEJDXWMGZDU-AWEZNQCLSA-N 401.488 3.182 0 40 HGAB O=C(COC(=O)c1ccccc1OCc1ccc(Cl)cc1)NC[C@@H]1CCCO1 4979799 GBYNVCCXZOMNHV-KRWDZBQOSA-N 403.862 3.371 0 40 HGAB CS(=O)(=O)N(CC(=O)N1CCC(Cc2ccccc2)CC1)c1ccc(F)c(F)c1 4988590 XXYUIBDGHHAGKM-UHFFFAOYSA-N 422.497 3.212 0 40 HGAB CC(C)NS(=O)(=O)c1cccc(C(=O)OCC(=O)c2ccc(Cl)s2)c1 5672658 HDFWBVHLYAVPOA-UHFFFAOYSA-N 401.893 3.128 0 40 HGAB O=C(NCc1cccnc1)c1ccccc1NS(=O)(=O)c1ccc(F)cc1F 6167948 LCZOHVIOAGKGAD-UHFFFAOYSA-N 403.410 3.091 0 40 HGAB CC(C)CNS(=O)(=O)c1ccc(OCC(=O)Nc2ccccc2F)c(Cl)c1 6326655 PASPBEFFTZKDBW-UHFFFAOYSA-N 414.886 3.431 0 40 HGAB NC(=O)c1c(NC(=O)CSc2nnc(C3CC3)n2C2CC2)sc2c1CCCC2 7191909 OIMCHOMKCWAEIL-UHFFFAOYSA-N 417.560 3.260 0 40 HGAB Cc1nc2ccccc2c(C)c1CC(=O)N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 7734974 GLPZVFCVEUGWAF-INIZCTEOSA-N 411.527 3.261 0 40 HGAB CN(CC(=O)Nc1cccc(F)c1)Cc1cc2c(cc1Br)OCCO2 8119548 SANFYMOKQGKFPC-UHFFFAOYSA-N 409.255 3.430 0 40 HGAB CCOC(=O)C1CCN(C(=O)[C@H](C)Sc2nnc(C)n2-c2cccc(C)c2)CC1 8131807 GOPKWXBDQRHOFQ-HNNXBMFYSA-N 416.547 3.166 0 40 HGAB Cc1cc(=O)n2nc(CSc3nnc(Cc4cccs4)n3C3CC3)sc2n1 9821607 MAODYDZUTLGOBY-UHFFFAOYSA-N 416.557 3.330 0 40 HGAB Cc1cc(C)c(NC(=O)Cn2c(-n3nc(C)cc3C)nc3c(c2=O)CCCC3)c(C)c1 9828793 JXDQFTZXWVYNQZ-UHFFFAOYSA-N 419.529 3.489 0 40 HGAB CNc1nn(-c2nc(C)cc(C)n2)c2c1C(=O)C[C@@H](c1ccc(OC)cc1OC)C2 10157220 XGNCQQQFQOYCND-AWEZNQCLSA-N 407.474 3.251 0 40 HGAB Cc1ccc(NC(=O)CSc2ncc(-c3ccc(F)cc3)o2)cc1S(N)(=O)=O 10842826 BXVHLLPWDUYAGY-UHFFFAOYSA-N 421.475 3.167 0 40 HGAB COc1cc(C(=O)NCCSc2ccc(C)cc2)cc(Cl)c1OCC(N)=O 11683134 KMBPDYUHKBPLPF-UHFFFAOYSA-N 408.907 3.043 0 40 HGAB Cc1csc([C@@H](Cc2ccsc2)NC(=O)CCn2c(C)cc(C)nc2=O)n1 12227754 MFZGWLDJOLDHEK-MRXNPFEDSA-N 402.545 3.177 0 40 HGAB O=C(Nc1cc(C(F)(F)F)ccc1N1CCCCCC1)[C@@H]1CCS(=O)(=O)C1 12522671 YPHISPXJVDNDHQ-CYBMUJFWSA-N 404.454 3.459 0 40 HGAB O=C(c1ccc(Cn2nnc3ccccc32)cc1)N1CCN(c2ccccc2O)CC1 12554789 HPEUDMZWCGTXMB-UHFFFAOYSA-N 413.481 3.148 0 40 HGAB O=C1CN(C(=O)CNc2ccccc2C(=O)NCc2ccccc2)c2ccccc2N1 12597458 APFQIBZJZZFSEC-UHFFFAOYSA-N 414.465 3.014 0 40 HGAB O=C(NCCCc1ccccc1)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 12875562 IKGFLJCXWFHTDW-UHFFFAOYSA-N 422.497 3.115 0 40 HGAB COc1ccc(C(=O)Cn2nc(-c3ccc(F)cc3)oc2=O)cc1Br 12888303 TZHYOANRGUKOOI-UHFFFAOYSA-N 407.195 3.296 0 40 HGAB Cc1c(Cl)cccc1NC(=O)CNC(=O)[C@H]1CC(=O)N([C@H](C)c2ccccc2)C1 12919667 MLDUSTUFMLXWPM-WBVHZDCISA-N 413.905 3.313 0 40 HGAB CCCCn1c(N)c(N(CC(C)C)C(=O)CSc2ccccc2C)c(=O)[nH]c1=O 12944361 QMYVXOFMJBUXKX-UHFFFAOYSA-N 418.563 3.009 0 40 HGAB Cc1ccc(NS(=O)(=O)c2ccccc2)cc1S(=O)(=O)N1CCCCCC1 13042339 BVNOFCUAWDDURG-UHFFFAOYSA-N 408.545 3.361 0 40 HGAB CC(C)Cc1nc2oc3c(N(C[C@H](C)O)C[C@@H](C)O)ncnc3c2c2c1CCCC2 13813639 JQSTUMKTULWGSB-GASCZTMLSA-N 412.534 3.416 0 40 HGAB COc1cc([C@@H]2CC(=O)c3c(cc(OC)c(OC)c3OC)O2)cc(OC)c1OC 14436433 CYJWWPSCJSSHJX-ZDUSSCGKSA-N 404.415 3.445 0 40 HGAB biogenic,in-vitro C[C@@H](C(=O)NC(=O)Nc1ccc2c(c1)OCCO2)N1CC=C(c2ccccc2)CC1 14920481 QTINJAIYWKBGCX-INIZCTEOSA-N 407.470 3.284 0 40 HGAB O=C(NCc1ccccc1)C1CCN(C(=O)COc2ccc(F)cc2Cl)CC1 15175403 OHFDGXIENXNEHV-UHFFFAOYSA-N 404.869 3.413 0 40 HGAB CCOC(=O)c1sc(NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cc1C 16003408 LTFVQNQWEONSBY-UHFFFAOYSA-N 422.528 3.270 0 40 HGAB Cc1ccc([C@@H]2CCCN2C(=O)[C@H](C)N2C(=O)c3ccccc3S2(=O)=O)cc1C 19213667 MGNCUTDXKNTOQF-LPHOPBHVSA-N 412.511 3.200 0 40 HGAB O=C([C@@H]1CCCO1)N1CCc2nc(N3CCCC3)nc(Oc3ccc(F)cc3)c2C1 19336025 PKQUHEGZKRZPIV-IBGZPJMESA-N 412.465 3.072 0 40 HGAB CCc1cc(C(F)(F)F)n2nc([C@H]3CCCN3C(=O)CCn3cccn3)cc2n1 19522276 ZIOKQDZCQHIHFI-OAHLLOKOSA-N 406.412 3.261 0 40 HGAB CCOc1ccc(CN2CC[C@H](c3nc(-c4cccnc4)cc(=O)[nH]3)C2)cc1OC 19533735 AKRMOPBYDQUOBY-SFHVURJKSA-N 406.486 3.229 0 40 HGAB Cc1cc(C)cc(O[C@@H](C)C(=O)N2CC[C@@H](c3cc(=O)[nH]c(-c4ccccn4)n3)C2)c1 19569655 LGVNOOYKBYGHLF-ZWKOTPCHSA-N 418.497 3.232 0 40 HGAB Cn1c(=O)c(C(=O)Nc2ccc(OCCN3CCCCC3)cc2)nc2ccccc21 19714970 ZFYAROXXHLLOJS-UHFFFAOYSA-N 406.486 3.051 0 40 HGAB O=C(Nc1ccc(F)c(F)c1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1 19931154 CCZRGDHCAOOSPL-HXUWFJFHSA-N 416.449 3.493 0 40 HGAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cc(F)ccc2F)cc1Cl 20015310 KRWAYPWCZUFGNG-UHFFFAOYSA-N 418.849 3.276 0 40 HGAB COc1ccccc1N1CCN([C@@H](c2ccc(C)cc2)c2nnnn2C(C)C)CC1 20140434 HTDBSXZYBAPPEH-QFIPXVFZSA-N 406.534 3.483 0 40 HGAB COc1cc(OC)cc(C(=O)NC(=S)Nc2cc(C(=O)O)cc(Cl)c2OC)c1 20153503 ICHQMOGRKHNLSN-UHFFFAOYSA-N 424.862 3.191 0 40 HGAB NNc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCN(Cc1ccccc1)C3 20169262 ZBNCVZKVVDXBDL-UHFFFAOYSA-N 417.538 3.350 0 40 HGAB CCn1c(SCC(=O)Nc2ccc(F)cc2F)nc(=O)c2c(C)cc(C)nc21 20214938 CSAUXZDGYYWJHU-UHFFFAOYSA-N 404.442 3.437 0 40 HGAB Cc1cc(C)c([C@@H](C)NC(=O)/C=C/c2ccc(CN(C)S(C)(=O)=O)o2)cc1C 22606213 QYEUAPDWNGYGMM-OAGJVSPASA-N 404.532 3.487 0 40 HGAB C[C@@H](C(=O)N1C[C@@H](C)O[C@H](C)C1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 22916884 XBFRELWUKAWEQY-VSKRKVRLSA-N 421.585 3.418 0 40 HGAB O=C(Cn1nc2c(c1NC(=O)c1ccc(F)c(F)c1)CSC2)NCc1ccco1 23139297 NIIMIZBMKVOPSD-UHFFFAOYSA-N 418.425 3.070 0 40 HGAB CCN(CC)S(=O)(=O)c1cc(C(=O)N(C)Cc2ccccc2F)ccc1OC 23653500 OWNWDIXYGADFDO-UHFFFAOYSA-N 408.495 3.137 0 40 HGAB O=C(Nc1ccccc1-n1cncn1)c1nn(Cc2ccccc2)c(=O)c2ccccc12 25000271 WMVWJNCWOYNOLQ-UHFFFAOYSA-N 422.448 3.278 0 40 HGAB C[C@]1(c2cc3ccccc3o2)NC(=O)N(CC(=O)Nc2ccnn2C2CCCC2)C1=O 31767260 DZPVCGPOFNEIIG-JOCHJYFZSA-N 421.457 3.150 0 40 HGAB CC(=O)c1cccc(N2C(SCc3ccc(C)cc3)=N[C@@H]3CS(=O)(=O)C[C@@H]32)c1 32640768 UYYNHENIARTZJS-UXHICEINSA-N 414.552 3.473 0 40 HGAB CCOC(=O)c1ccc(S(=O)(=O)Oc2ccc(OC)cc2)c(Br)c1 32770539 HZVDYFRMCWZDRN-UHFFFAOYSA-N 415.261 3.402 0 40 HGAB COC(=O)c1ccc(CCNC(=O)Cc2cc(Cl)c3c(c2)OCCCO3)cc1 32900532 UIPHJBDEFRULRY-UHFFFAOYSA-N 403.862 3.189 0 40 HGAB COc1ccccc1[C@H](NC(=O)C[C@@H]1Sc2ccccc2NC1=O)c1nccn1C 32905113 LYEYNHSCAQLIST-ICSRJNTNSA-N 422.510 3.137 0 40 HGAB COc1ccc(CNC(=O)CCc2c(C)nc3c4ccccc4nn3c2C)cc1O 32933064 OIESGONYUAUXOK-UHFFFAOYSA-N 404.470 3.463 0 40 HGAB Cc1ccc(C)c(S(=O)(=O)NCCC(=O)Nc2nc(-c3cccnc3)cs2)c1 32991071 SXHSUNDDGPQPHR-UHFFFAOYSA-N 416.528 3.129 0 40 HGAB COc1ccc(CCNC(=O)CC[C@@H]2N=C(O)N([C@H](C)c3ccccc3)C2=O)cc1 36589985 ZODZSWWMELADRT-UZLBHIALSA-N 409.486 3.020 0 40 HGAB biogenic O=C(NC[C@H](c1ccco1)N1CCCC1)[C@@H]1CCCN(C(=O)Cc2ccccc2)C1 40073662 VZYAGPDZRUHWAF-NHCUHLMSSA-N 409.530 3.014 0 40 HGAB Cc1ccc2c(c1)C(=O)N(CCC(=O)Nc1ccc(Oc3cnccn3)cc1)C2=O 40112597 IKVRCDVTERRVOY-UHFFFAOYSA-N 402.410 3.202 0 40 HGAB O=C(NCc1ccc(N2CCCCCC2)nc1)Nc1ccc(N2CCNC2=O)cc1 48248228 YADGWAOTLXMPMV-UHFFFAOYSA-N 408.506 3.313 0 40 HGAB Cc1ccc(-n2cc(C(=O)N3CCC(NC(=O)CC4CCCCC4)CC3)nn2)cc1 49405917 SNLPGGYIGHVTOS-UHFFFAOYSA-N 409.534 3.267 0 40 HGAB O=S1(=O)CC[C@@H](Cc2nc3ccccc3n2C[C@@H](O)c2ccc(F)cc2F)C1 51290499 ZXBXRSVDKULKSZ-ORAYPTAESA-N 406.454 3.025 0 40 HGAB CCOC(=O)Nc1cccc(NC(=O)NC[C@@H](O)COc2cccc(C)c2)c1C 58061603 XTGPTGYRYCPRNI-MRXNPFEDSA-N 401.463 3.433 0 40 HGAB Cc1cccc(S(=O)(=O)Nc2cc(S(=O)(=O)NC(C)(C)C)c(F)cc2F)c1 72301060 LLUFAAYROVCOOB-UHFFFAOYSA-N 418.487 3.151 0 40 HGAB O=C(c1sc2ccccc2c1[C@H]1CN(Cc2ccncc2)CCO1)N1CCOCC1 72354985 AOGODYYTYNKMLF-LJQANCHMSA-N 423.538 3.342 0 40 HGAB Cc1ccc(CCN(CC(=O)NCc2ccc3c(c2)OCO3)CC(F)(F)F)cc1 78950356 CYODAMGWXYYQRG-UHFFFAOYSA-N 408.420 3.447 0 40 HGAB CCN(CC)C(=O)c1ccc(S(=O)(=O)NC[C@H](C[C@@H](C)O)c2ccccc2)cc1 84771017 SROHYENHVGFKTM-XLIONFOSSA-N 418.559 3.002 0 40 HGAB Cc1ccc(-c2ocnc2C(=O)OC[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)cc1 96013320 NNLHUHGLHLFIKB-INIZCTEOSA-N 402.447 3.443 0 40 HGAB O=C(O)c1ccc(NC(=O)c2ccc(N3C(=O)[C@H]4[C@H]5CC[C@@H](C5)[C@H]4C3=O)cc2)cc1 100570980 QHMURBWBLKGBSR-STEAMIEHSA-N 404.422 3.173 0 40 HGAB Cc1cc(-c2cnc(C)nc2[C@H]2CC[C@H](CNC(=O)c3ccc(C)[nH]c3=O)CC2)on1 100743744 LNRNDUYYBGAHQA-CALCHBBNSA-N 421.501 3.449 0 40 HGAB CC(C)(C)C(=O)[C@H]1[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=NN21 103532039 YWTQOLURXZNQEK-MTQWCTHYSA-N 419.456 3.320 0 40 HGAB CC[C@@H](NC(=O)[C@@H](C)N(c1cccc(F)c1)S(C)(=O)=O)c1ccc(OC)cc1 113967619 KCUUXAVSPQPJRT-AUUYWEPGSA-N 408.495 3.256 0 40 HGAB COc1ccccc1N(CCCC(=O)N[C@@H]1CCCc2ccccc21)S(C)(=O)=O 113967866 AHUNXMSQUZHVPN-LJQANCHMSA-N 416.543 3.435 0 40 HGAB C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2[C@H](O)C[C@]2(C)[C@@H](c3ccc(=O)oc3)CC[C@@]12O 118916536 FMTLOAVOGWSPEF-HBGVNZSGSA-N 402.531 3.213 0 40 HGAB Cc1cc(=O)oc2cc(NC(=O)[C@H](N)CCCCNC(=O)OC(C)(C)C)ccc12 137438132 OAWGDHIIFDVFOW-MRXNPFEDSA-N 403.479 3.062 0 40 HGAB CCOC(=O)c1c(COCC(=O)O)nc(C)c(C(=O)OC)c1-c1ccccc1Cl 139705799 WYLSEDHKQJBUIA-UHFFFAOYSA-N 421.833 3.275 0 40 HGAB in-vitro O=C1C[C@@H](N2CCC(O)CC2)C(=O)N1c1ccc(Oc2ccc(Cl)cc2)cc1 215705012 VVDWVOVSBPNMCV-LJQANCHMSA-N 400.862 3.221 0 40 HGAB CCOC(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c(C)c1 219977500 FNRDMVDHGJGQGU-UHFFFAOYSA-N 416.499 3.209 0 40 HGAB COc1cccc(N([C@@H](C)C(=O)N[C@@H](C)c2cc(C)ccc2C)S(C)(=O)=O)c1 220176350 ASCMNIRHSOKVBL-IRXDYDNUSA-N 404.532 3.344 0 40 HGAB COc1ccc(NC(=O)[C@H](C)N(c2ccc(F)c(F)c2)S(C)(=O)=O)cc1Cl 220448589 BHZPIBVWVZYOGZ-JTQLQIEISA-N 418.849 3.420 0 40 HGAB CCC[C@@H]1CCc2c(sc(NC(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C(=O)O)c2C(N)=O)C1 222478690 BEJPIHKVXGDYOT-SEQRPAEDSA-N 402.516 3.213 0 40 HGAB CNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(Cl)c(C)c1 222859795 UZWMEWHMQQIRLP-OAHLLOKOSA-N 404.894 3.199 0 40 HGAB CCC(C)(C)NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 224183489 SDMQCLKISRYZOQ-UHFFFAOYSA-N 420.531 3.447 0 40 HGAB Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)N[C@@H](C)c3ccccc3C)s2)cc1 224257178 ZOZHRBZZGIXPOL-AWEZNQCLSA-N 416.528 3.447 0 40 HGAB CCOC(=O)c1cc(N(C)S(=O)(=O)c2ccc3c(c2)OCCO3)ccc1Cl 224844692 RWIQTRAFDJZMKW-UHFFFAOYSA-N 411.863 3.113 0 40 HGAB CNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)Cc1cccc(C)c1 225496030 JWHUITOLYNLPFI-OAHLLOKOSA-N 403.320 3.463 0 40 HGAB Cn1c(=O)sc2cc(S(=O)(=O)NCc3cccc(C(F)(F)F)c3)ccc21 225685390 FWPKXGUUNIJABX-UHFFFAOYSA-N 402.419 3.097 0 40 HGAB O=C(N[C@@H]1C[C@H]2CC[C@H]1C2)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1 249992232 MBHKQEIKCNJZJO-VDZJLULYSA-N 410.967 3.187 0 40 HGAB Cc1c(Cl)cccc1NC(=O)C(=O)NC[C@](O)(c1ccsc1)c1ccco1 253473429 UWGKPOAOSGXSBX-IBGZPJMESA-N 404.875 3.294 0 40 HGAB CNCCOc1cccc(C(=O)N2C[C@@H](c3ccccc3)[C@@H]3NCCCCC[C@@H]32)c1 257206862 BFEXCOMNJBVKRK-HJOGWXRNSA-N 407.558 3.425 0 40 HGAB O=C(CCCn1ccnc1)NC[C@@]1(c2ccccc2)CC[C@H](O)[C@@H](N2CCCC2)CC1 257243239 IFZZQLDTMZHMKK-LSQMVHIFSA-N 424.589 3.117 0 40 HGAB COc1cccc(CN2CCN(C)[C@@H](c3cn4c(N5CCCC5)cccc4n3)C2)c1 306137561 QZXGLYSXACKIHK-JOCHJYFZSA-N 405.546 3.432 0 40 HGAB COc1ccc(CN2CCO[C@H](c3nnn4cc(-c5ccncc5)ccc34)C2)cc1 306139402 SWNFSIKUCZLGQX-QFIPXVFZSA-N 401.470 3.373 0 40 HGAB COc1cccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(C)c(Cl)c3)CC2=O)c1 408643614 AYOOJWXRZRILLG-AWEZNQCLSA-N 416.861 3.192 0 40 HGAB COc1cc(C(=O)N2CCC(C(=O)NC3CCCCCC3)CC2)cc(OC)c1OC 409015575 CIHYOOZFWVYZCL-UHFFFAOYSA-N 418.534 3.404 0 40 HGAB Cc1nc2c(s1)[C@@H](N(C)S(=O)(=O)c1cccc(C(=O)NC3CC3)c1)CCC2 521169296 OLHSMBMQXSIESY-KRWDZBQOSA-N 405.545 3.042 0 40 HGAB O=C(CCC(=O)N1CCC[C@H](Oc2ncc(Br)cn2)C1)c1ccccc1 575614084 WLUQVQLLVJPJPL-INIZCTEOSA-N 418.291 3.272 0 40 HGAB COC(=O)c1ccc(OC)c(S(=O)(=O)NC[C@H](c2ccco2)c2cccs2)c1 585147760 YTJFVTKOAATBAF-CQSZACIVSA-N 421.496 3.247 0 40 HGAB O=C1CCN(C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccc(Cl)cc2)CC1 641996105 DAUIIAITRKQHDD-NRFANRHFSA-N 423.900 3.354 0 40 HGAB CC(C)CCN1CC(=O)NCCCCCOc2cccc(C(=O)NCC3CC3)c2C1 643571012 RDCSDZKSBURFBP-UHFFFAOYSA-N 415.578 3.353 0 40 HGAB C[C@H]1CCN(C(=O)c2ccc3c(=O)n(-c4ccccc4F)c(S)nc3c2)CCO1 1161850109 XHYBOVQFZQFEEV-ZDUSSCGKSA-N 413.474 3.065 0 40 HGAB COc1cc2c(cc1OC)[C@H](CNC(=O)/C=C/c1cc(OC)c(OC)c(OC)c1)C2 1559675 KWCVJXFIJROWLR-MOEXGYKKSA-N 413.470 3.199 0 40 HGAB COc1cc([C@H]2c3c(oc4cc(C)c(Cl)cc4c3=O)C(=O)N2CCO)ccc1O 2341355 DEPXYMMWCYNJHD-SFHVURJKSA-N 415.829 3.007 0 40 HGAB CCSc1nnc(NC(=O)[C@H]2Cc3ccccc3CN2C(=O)c2ccco2)s1 2624447 QBGVPYUGNGPTQZ-CQSZACIVSA-N 414.512 3.449 0 40 HGAB Cc1cc(C)c2nc(SCC(=O)Nc3cc(C(N)=O)cc(C(N)=O)c3)cc(C)c2c1 3332779 UXBYMCDNWFIVRY-UHFFFAOYSA-N 422.510 3.089 0 40 HGAB Cc1cc2oc(=O)cc(CN3C(=O)N[C@@]4(CCOc5ccccc54)C3=O)c2cc1Cl 3450374 JWCYUFDRYVONHL-JOCHJYFZSA-N 424.840 3.485 0 40 HGAB CC(C)[C@H](C(=O)OCC(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@@H]2C1=O 4155950 QVYDPTHOKUMAHH-AQQQZIQISA-N 417.889 3.122 0 40 HGAB COc1ccc(C(=O)N(c2cccc(Cl)c2)[C@H]2C=CS(=O)(=O)C2)c(OC)c1 4165240 WONRXIJCWHFTPO-HNNXBMFYSA-N 407.875 3.315 0 40 HGAB Cc1cc(C(=O)COC(=O)/C=C/c2ccc3c(c2)OCO3)c(C)n1C[C@H]1CCCO1 4836408 PBAUGQWVMUJCNL-JHTBKMLMSA-N 411.454 3.452 0 40 HGAB O=C(NCc1nc2ccccc2[nH]1)c1ccccc1NS(=O)(=O)c1ccc(F)cc1 6135169 WDRGYIYKVLYAFN-UHFFFAOYSA-N 424.457 3.433 0 40 HGAB CC[C@@H](C)NC(=O)CCc1nnc2n(Cc3ccc(C)cc3)c(=O)c3ccccc3n12 6803097 HAAQYFXZIRGSLW-QGZVFWFLSA-N 417.513 3.248 0 40 HGAB C[C@@H](NC(=O)CN1C(=O)N[C@@](Cc2ccccc2)(c2ccccc2)C1=O)c1ccco1 7329357 ZITKQZCJBAEOCY-OSPHWJPCSA-N 417.465 3.147 0 40 HGAB CCOc1ccc(NC(=O)COC(=O)CCS(=O)(=O)c2ccc(C)c(C)c2)cc1 7940035 VHDOELFLDAQBNQ-UHFFFAOYSA-N 419.499 3.048 0 40 HGAB COc1ccc(-c2nnn(CC(=O)N[C@@H](C)c3ccc(CC(C)C)cc3)n2)cc1OC 7977642 TVXSJMKSGKRIBB-INIZCTEOSA-N 423.517 3.433 0 40 HGAB Cc1ccccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2C)C1 8039438 MLRIPOIRMHTRKT-OAHLLOKOSA-N 400.862 3.492 0 40 HGAB Cc1c(NC(=O)c2cccc(NC(=O)C3CCC3)c2)c(=O)n(-c2ccccc2)n1C 8076409 IDUIBXAJSDLOJI-UHFFFAOYSA-N 404.470 3.475 0 40 HGAB CN(Cc1ccccc1F)C(=O)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 8244487 SYNQOTVKQXNTDR-DTQAZKPQSA-N 416.518 3.497 0 40 HGAB O=C(CCC(=O)OCC(=O)Nc1cccc(C(F)(F)F)c1)NCc1ccccc1 8433592 NGRJVKYLRRBXOT-UHFFFAOYSA-N 408.376 3.284 0 40 HGAB CN(Cc1nc2ccccc2s1)C(=O)CSc1nnnn1Cc1ccccc1 8709217 BJJXEHGCLPXTNY-UHFFFAOYSA-N 410.528 3.082 0 40 HGAB CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1nnc(NC(=O)c2ccccc2)s1 9224663 CSUUDSUZJDKOSV-UHFFFAOYSA-N 422.919 3.265 0 40 HGAB COc1cc(-c2noc([C@@H]3CC(=O)N(c4ccc(F)cc4)C3)n2)cc(OC)c1OC 9320886 QKDIITQHUBALSU-CYBMUJFWSA-N 413.405 3.422 0 40 HGAB COc1ccc(N(C(=O)c2ccc(Br)cc2)[C@@H]2C=CS(=O)(=O)C2)cc1 9833887 JRZDLSVGWCITMP-MRXNPFEDSA-N 422.300 3.415 0 40 HGAB C[C@H](NC(=O)CN1C(=O)c2ccccc2S1(=O)=O)c1ccc(C(C)(C)C)cc1 10111947 LRHHBPYLXSLEPR-AWEZNQCLSA-N 400.500 3.006 0 40 HGAB O=C(CCCS(=O)(=O)c1ccccc1)Nc1nc2cc3c(cc2s1)OCO3 10218385 BOKILQKJITXMIR-UHFFFAOYSA-N 404.469 3.218 0 40 HGAB CC(C)NC(=O)Cn1c([C@@H]2CC(=O)N(Cc3ccc(F)cc3)C2)nc2ccccc21 12062194 ZXIDCDIEFPOSEF-QGZVFWFLSA-N 408.477 3.216 0 40 HGAB COc1ccc(Cl)cc1NC(=O)c1cc(Br)ccc1-n1cnnn1 12391061 HDGWDTCUHADNSE-UHFFFAOYSA-N 408.643 3.339 0 40 HGAB CCc1sc(C(=O)NCC(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1C 12545351 TWEGHBAEZSWNHJ-UHFFFAOYSA-N 405.951 3.351 0 40 HGAB NC1=Nc2nc3cc4c(cc3n2[C@H](c2cccc(Br)c2)N1)OCCCO4 12630165 PCTKVFPJHVUVNW-MRXNPFEDSA-N 414.263 3.056 0 40 HGAB O=C(NCCN1CCOCC1)c1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1 12741389 QVHWOMKJQGTTPE-UHFFFAOYSA-N 424.932 3.314 0 40 HGAB C/C=C/c1ccc(OCC(=O)NCC(=O)Nc2ccc(F)c(F)c2F)c(OC)c1 12760538 YBOKTINIJMIARQ-ONEGZZNKSA-N 408.376 3.279 0 40 HGAB CC[C@@H](C)[C@H](C(=O)OCc1cccc(C(=O)OC)c1)N1C(=O)c2ccccc2C1=O 12764778 KFGAQDSOZDQRLU-AUUYWEPGSA-N 409.438 3.227 0 40 HGAB C[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2CCC(Cc3ccccc3)CC2)C1=O 12906595 FHOYQYAMVQJGHQ-XMMPIXPASA-N 423.488 3.074 0 40 HGAB COc1ccc(C(=O)Nc2ccc(OCc3cc(=O)n4nc(C)sc4n3)cc2)cc1 13367943 KJLMAZLEROEXTL-UHFFFAOYSA-N 422.466 3.299 0 40 HGAB COc1ccc(C(=O)O)cc1NC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1 13575729 COUDXHGOZNEYRP-AQTBWJFISA-N 406.394 3.396 0 40 HGAB CCCCNC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C1 13677868 BURVJWBADZYIIL-CYBMUJFWSA-N 407.363 3.452 0 40 HGAB CC[C@@H](C)NC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1 13680133 REKWDLHBLWRKMX-ACJLOTCBSA-N 408.907 3.211 0 40 HGAB COc1ccc(OC)c(S(=O)(=O)NCc2ccc(CN3CCCCC3)cc2)c1 15357213 FDBCRBAZGDZUFN-UHFFFAOYSA-N 404.532 3.168 0 40 HGAB COC(=O)[C@@H]1Cc2ncn(Cc3ccc(OC)cc3)c2CN1Cc1ccc(OC)cc1 15707060 AUQJEBNBAAWNHC-QFIPXVFZSA-N 421.497 3.049 0 40 HGAB biogenic,in-vitro C[C@H](C(=O)Nc1ccc2c(c1)OCO2)N(C)CC(=O)Nc1ccccc1C(F)(F)F 16634556 OJAYVHTTWDPGRH-GFCCVEGCSA-N 423.391 3.332 0 40 HGAB Cn1cc(CN2CCC([C@@H](NC(=O)c3cccc(F)c3)c3ccccn3)CC2)cn1 19290647 ZJENLBLFPAZOOI-JOCHJYFZSA-N 407.493 3.338 0 40 HGAB Cc1n[nH]cc1C(=O)N1CCC[C@](Cc2ccccc2-c2cccs2)(C(N)=O)C1 19582346 PXZGVEGXEFJXIB-JOCHJYFZSA-N 408.527 3.397 0 40 HGAB CN(C)c1ncc(-c2ccncc2)c([C@H]2CCCN2C(=O)COc2ccccc2)n1 19585284 MYDKHMTWKYATCC-HXUWFJFHSA-N 403.486 3.347 0 40 HGAB O=C(NCCc1ccccc1)[C@@H]1CCCN(S(=O)(=O)Cc2cccc(Cl)c2)C1 19860101 ZOMBWFUYXHQDHK-LJQANCHMSA-N 420.962 3.241 0 40 HGAB CCOC(=O)[C@@H]1CCCN(C(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)C1 20529257 RREWUZWDQIMEGT-GOSISDBHSA-N 404.470 3.350 0 40 HGAB CCCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)COC)CCC3)cc1 21756898 RPVACOMENNPHKX-UHFFFAOYSA-N 418.515 3.202 0 40 HGAB Cc1cccc(NC(=O)CN2CCN([C@H](C)C(=O)N(C)C3CCCCC3)CC2)c1C 22783487 UZQLZEALWPFMKQ-HXUWFJFHSA-N 414.594 3.039 0 40 HGAB CC[C@@H](OC[C@H](O)CN1CCN(Cc2ccc3c(c2)OCO3)CC1)c1ccccc1 22870651 BURKISBUYAVOCA-FGZHOGPDSA-N 412.530 3.062 0 40 HGAB O=C(Cc1ccc2c(c1)CCCC2)Nc1ccc(NC(=O)CN2CCOCC2)cc1 23012062 YWTGNPVSTWYFID-UHFFFAOYSA-N 407.514 3.017 0 40 HGAB CCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 24435617 QRGSEOZXDSPBPT-HZPDHXFCSA-N 418.515 3.136 0 40 HGAB CCCc1nnc(S)n1CC(=O)NCCc1ccc(-c2csc(C)n2)cc1 24658152 KVYCURFJKCHQQM-UHFFFAOYSA-N 401.561 3.310 0 40 HGAB CC(=O)c1ccc(C)cc1OS(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)cc1 24713082 UUFJMWUAYVWPNJ-UHFFFAOYSA-N 415.389 3.257 0 40 HGAB Cc1ccc(Cc2cnc(NC(=O)CN3C(=O)[C@H]4CC=CC[C@@H]4C3=O)s2)cc1F 29878924 LRQGSDQUOPTAJH-HOTGVXAUSA-N 413.474 3.071 0 40 HGAB COc1cccc([C@H](CNC(=O)c2cc(-c3ccccc3)on2)N2CCOCC2)c1 42381961 WRJWTFFMDAUDSG-NRFANRHFSA-N 407.470 3.154 0 40 HGAB O=C(C1CCN(Cc2nc3ccccc3[nH]2)CC1)N1CCN(c2ccc(F)cc2)CC1 44443493 YIMYQXSMIVKNHG-UHFFFAOYSA-N 421.520 3.263 0 40 HGAB COc1ccc(-c2cc(C(=O)Nc3sc4c(c3C(N)=O)CCC4)no2)cc1OC 46086089 NGCHXXZHIYBNNX-UHFFFAOYSA-N 413.455 3.260 0 40 HGAB Cc1cc(NC(=O)[C@@H](C)OC(=O)c2c(Br)c3ccccc3n2C)on1 46410694 LDJKGHNMIUQLFJ-SNVBAGLBSA-N 406.236 3.421 0 40 HGAB O=C(C1=NN(Cc2cccc(Cl)c2)c2ccccc2S1(=O)=O)N1CCCCC1 49402521 GTAZLRJKPLKTGL-UHFFFAOYSA-N 417.918 3.460 0 40 HGAB O=C(NC1CCN(C(=O)c2cc(-c3ccccc3)n[nH]2)CC1)c1ccc(F)c(F)c1 49406750 OTCMILZZVBKWJI-UHFFFAOYSA-N 410.424 3.390 0 40 HGAB COc1cccc(N2CCN(Cc3nnnn3-c3ccc(C(F)(F)F)cc3)CC2)c1 54152793 CXKLTGLOPVNQNQ-UHFFFAOYSA-N 418.423 3.012 0 40 HGAB COc1ccc(C(=O)N2CCN(CC(=O)N3CCCCCC3)CC2)c2ccccc12 57347684 UBDBGBFVVIEJIE-UHFFFAOYSA-N 409.530 3.009 0 40 HGAB O=C(Cn1c(=O)n(-c2ccccc2)c(=O)c2sccc21)Nc1cc(F)ccc1F 57489542 AAWGAEAENNAYOT-UHFFFAOYSA-N 413.405 3.131 0 40 HGAB Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NCC(C)C)Oc3ccc(Cl)cc32)cc1 64986097 WSQRBNXAVUYVPZ-IBGZPJMESA-N 422.934 3.377 0 40 HGAB CC1(C)[C@H](Cc2cc(CN3CCOCC3)on2)C[C@@H]1NC(=O)Nc1ccc(F)cc1 67890326 LCNREQXTWNATSY-QRWLVFNGSA-N 416.497 3.425 0 40 HGAB biogenic,in-vitro COc1ccccc1OC[C@@H](O)CN1CCN(c2cc(C)c3ccccc3n2)CC1 71280226 DOZWXDIISNJMNI-IBGZPJMESA-N 407.514 3.114 0 40 HGAB CCN(C[C@@H]1CCN(C(=O)Cc2cc(C(C)=O)ccc2OC)C1)CC(F)(F)F 72311401 PPVFGDOLIVALCP-HNNXBMFYSA-N 400.441 3.173 0 40 HGAB COc1ccc2[nH]c(CN3CCc4c(nc(N5CCC[C@H](C)C5)[nH]c4=O)C3)c(C)c2c1 72335628 CXEFOKXNHMPYKK-HNNXBMFYSA-N 421.545 3.363 0 40 HGAB Cc1nccn1CCNC(=O)C1(Cc2cccc([C@H]3CCCN(C)C3)c2)CCOCC1 72372228 PXRPVMGNJULMHG-QHCPKHFHSA-N 424.589 3.156 0 40 HGAB O=C(NCCc1c[nH]c2ccccc12)c1nnn(-c2ccc(OC(F)(F)F)cc2)n1 77100439 JKGZJQDLMHISJI-UHFFFAOYSA-N 416.363 3.015 0 40 HGAB O=S(=O)(c1ccc2c(c1)CCCC2)N1CC(c2nc(Cc3cccs3)no2)C1 77190821 HVDHOQBRJJICQR-UHFFFAOYSA-N 415.540 3.389 0 40 HGAB Cc1sc2nc(CN3CCOCC3)nc(N3CCC[C@@]3(C)CCCO)c2c1C 95982865 VKFMDIXCELVCPI-NRFANRHFSA-N 404.580 3.272 0 40 HGAB CCOc1ccccc1CN1[C@H]2CC[C@H]1CC(O)(Cn1nc(C3CC3)ccc1=O)C2 100738266 YTEFIBLZVKZJTH-PMACEKPBSA-N 409.530 3.078 0 40 HGAB CCOC(=O)c1c(NC(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O)sc(C)c1C 102336785 UDJAGRFLWOCPFI-ZIAGYGMSSA-N 406.504 3.045 0 40 HGAB CCOC(=O)[C@@H](C(=O)CSc1nnc(-c2ccco2)n1CC)c1nc(C)cs1 103032609 NRDXVBXTXLEYQG-AWEZNQCLSA-N 420.516 3.331 0 40 HGAB COCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc(OC)c1 223021298 KTFSRIBYCHPAHL-SFTDATJTSA-N 408.527 3.500 0 40 HGAB Cc1ccsc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1CCCN1CCOCC1 223167922 ZJWCHUVMAFWNGV-MSOLQXFVSA-N 402.589 3.146 0 40 HGAB Cc1ccc(-c2nnc(NC(=O)c3cccc(N(C)S(C)(=O)=O)c3C)s2)cc1 224581349 JRJFJFHYWJIREQ-UHFFFAOYSA-N 416.528 3.470 0 40 HGAB COC(=O)c1ccc(C)c(S(=O)(=O)NCc2cccc(CN3CCCCC3)c2)c1 224698054 PUVVKHZLDKEZGL-UHFFFAOYSA-N 416.543 3.246 0 40 HGAB CC(C)(C)C(=O)Nc1nnc(S(=O)(=O)Nc2cccc(Br)c2)s1 224789182 WYNVAIGENDYGRN-UHFFFAOYSA-N 419.326 3.086 0 40 HGAB Cc1ccc(OCCNC(=O)CCCN(c2cccc(F)c2)S(C)(=O)=O)cc1C 224800421 NZLWFZOYKQKECL-UHFFFAOYSA-N 422.522 3.184 0 40 HGAB COc1cccc([C@]2(O)CC[C@H]3CN(S(=O)(=O)c4ccc(Cl)s4)C[C@H]32)c1 248265103 YSGLBGUKGVQADZ-WBHUJUFNSA-N 413.948 3.328 0 40 HGAB Cc1ncc2c(n1)C1(CCN(c3ncccn3)CC1)CN(C(=O)Nc1ccccc1)C2 306124922 CCFRLGYCKLFFMR-UHFFFAOYSA-N 415.501 3.161 0 40 HGAB CC(C)CC(=O)N1C[C@H](c2cn(C(C)C)cn2)[C@@]2(CCN(Cc3ccncc3)C2=O)C1 306129270 HZCUCEYLVHKSJJ-HYBUGGRVSA-N 423.561 3.250 0 40 HGAB Cn1cc(-c2ccc3c(c2)[C@H]2CN(Cc4ccc(Cl)cc4)C[C@H]2S3(=O)=O)cn1 306140462 UUIWNSXPINNJPF-TZIWHRDSSA-N 413.930 3.496 0 40 HGAB Cc1cc(S(=O)(=O)N2CCCCC2)ccc1OCC(=O)Nc1ccccc1F 408586783 BVJDWJPABCRTSL-UHFFFAOYSA-N 406.479 3.326 0 40 HGAB COc1ccccc1N1CC[C@@H](NC(=O)c2cccc(CNc3ccncn3)c2)C1 542653434 NUGIQVFWTBXJKS-LJQANCHMSA-N 403.486 3.106 0 40 HGAB CC1(C)CC[C@@H]2C[C@@H](NC(=O)N3CCC([C@@]4(C)NC(=O)NC4=O)CC3)c3cccc1c32 553708404 GNKCBXYNEQXTON-CLNHLTTHSA-N 424.545 3.306 0 40 HGAB Cc1nc(-c2ccc(S(=O)(=O)N3CC[C@@H](COc4ccc(F)cn4)C3)cc2)co1 1889255070 KTFFEPDWTIYRGQ-OAHLLOKOSA-N 417.462 3.274 0 40 HGAB Cc1cc(C)nc(NS(=O)(=O)c2ccc(N[C@H]3OC(=O)c4ccccc43)cc2)n1 2205238 CCPOZYQUVMQFMJ-SFHVURJKSA-N 410.455 3.175 0 40 HGAB O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1F)N1CCCC1 2615879 NOEIIYNWNHDOHI-UHFFFAOYSA-N 401.438 3.378 0 40 HGAB COc1ccccc1NS(=O)(=O)c1cc(C(=O)NCc2ccco2)ccc1C 3515893 QBXFDEGWOVDLFY-UHFFFAOYSA-N 400.456 3.327 0 40 HGAB Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)c3ccc(Br)cc3)C2=O)cc1 3610524 BZBOKBPVAWJGGN-LJQANCHMSA-N 401.260 3.407 0 40 HGAB CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2sccc2C(=O)NC)cc1 4281751 JKMJNULMOCXLDV-UHFFFAOYSA-N 423.560 3.171 0 40 HGAB O=C(Nc1ccc(S(=O)(=O)Nc2ccnn2-c2ccccc2)cc1)C(F)(F)F 4722451 GHVXUDHRVLIKTJ-UHFFFAOYSA-N 410.377 3.174 0 40 HGAB CCn1c(CC(=O)Nc2ccc(OC)cc2)nnc1SCC(=O)c1ccccc1 4814659 ZKSWJBYOICRBDH-UHFFFAOYSA-N 410.499 3.463 0 40 HGAB CC[C@]1(c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)CCC(=O)NC1=O 5260008 PIJIBHCYWSHPGD-LJQANCHMSA-N 406.891 3.225 0 40 HGAB COc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCCN(C)C)[C@H]3c1ccccc1F 5345694 ADOXXQRJSCSICC-FQEVSTJZSA-N 410.445 3.438 0 40 HGAB CC(=O)Cc1nsc(NC(=O)c2ccc3c(c2)C[C@@H](c2ccccc2)OC3=O)n1 5959837 YFOFMXDZSHPTBM-KRWDZBQOSA-N 407.451 3.376 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(C)cc3)C2)cc1C 6300393 GRYHEKOICYWNHW-QGZVFWFLSA-N 402.516 3.351 0 40 HGAB Cc1cccc(C)c1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 6328680 KXRRMXOIADXULD-UHFFFAOYSA-N 408.907 3.230 0 40 HGAB CCOC(=O)c1ccc(NC(=O)CSc2nnc3c(n2)[nH]c2ccccc23)cc1 6599870 UBCFYRFGPVJJAR-UHFFFAOYSA-N 407.455 3.414 0 40 HGAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CSCCCc1ccccc1 7148553 PLQWBIBVZDSGBE-UHFFFAOYSA-N 422.572 3.250 0 40 HGAB CCc1ccc2c(COC(=O)Cc3csc(N4CCCC4=O)n3)cc(=O)oc2c1 7569577 KULIQXYBRWUECG-UHFFFAOYSA-N 412.467 3.225 0 40 HGAB Cn1cccc1[C@@H]1CCCN1CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1 7854841 GKDDWKHOCGDESI-SFHVURJKSA-N 418.423 3.400 0 40 HGAB CCOc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)cc1 7915753 OXBSNVFOVOYEOU-OAHLLOKOSA-N 406.479 3.264 0 40 HGAB COC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)N[C@@H]1c1ccc(C(=O)OC)cc1 8323453 JIUJNVZSMIOWDF-LJQANCHMSA-N 410.426 3.200 0 40 HGAB CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)Nc2ccc(C(C)(C)C)cc2)cc1 8405972 SUBNYVHAZNYBQP-UHFFFAOYSA-N 417.531 3.250 0 40 HGAB CC(=O)c1ccc(NC(=O)COC(=O)CCC(=O)Nc2cccc(Cl)c2)cc1 8413889 ZVLJFUJIAHVKDD-UHFFFAOYSA-N 402.834 3.443 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc1OC 8514435 CDEBFGSCBOBVEJ-QGZVFWFLSA-N 419.499 3.391 0 40 HGAB CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)CSc2nncs2)c1 8694059 WKGKHUHPTIXGTK-UHFFFAOYSA-N 420.541 3.094 0 40 HGAB C[C@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O)c1cc2ccccc2o1 8981410 BNIMKMMENMFBPL-XMHCIUCPSA-N 409.417 3.216 0 40 HGAB Cn1c(SCC(=O)Nc2ccc(Br)cc2F)nnc1C(F)(F)F 9507509 FSRQUAQUWKDPGJ-UHFFFAOYSA-N 413.194 3.466 0 40 HGAB COc1ccc(N2C[C@H](C(=O)N3CCc4[nH]c5ccccc5c4C3)CC2=O)c(OC)c1 9955946 SBYCQUVZVYXHOO-OAHLLOKOSA-N 419.481 3.123 0 40 HGAB biogenic COc1ccc(Cl)cc1CN(C)C(=O)c1ccc2c(c1)C[C@@H](C)N2S(C)(=O)=O 10279523 ULJVHRUUKBUWDY-CYBMUJFWSA-N 422.934 3.331 0 40 HGAB CCOC(=O)C1CCN(C(=O)[C@@H](C)Sc2nccn2-c2ccccc2C)CC1 10883160 ZRKUQAZFQBWWAK-MRXNPFEDSA-N 401.532 3.463 0 40 HGAB COc1cc(-c2nc(C(=O)NCCCn3ccnc3)c(C)s2)cc(OC)c1OC 11691878 WZLUZLNEERWBMR-UHFFFAOYSA-N 416.503 3.161 0 40 HGAB O=C(O)c1ccc(Nc2ncnc3ccc(I)cc23)cc1O 11906970 RWMWLLLYWNWXJK-UHFFFAOYSA-N 407.167 3.382 0 40 HGAB Cc1cc(-c2cnc(NC3CC3)nc2C2CCN(C(=O)c3cnn(C)c3C)CC2)on1 12156553 MXLWPFNFIZTMOX-UHFFFAOYSA-N 421.505 3.076 0 40 HGAB CS(=O)(=O)c1ccc(CC(=O)N[C@H](Cc2ccsc2)c2cccnc2)cc1 12228496 DPSPDEDJHKXNBA-LJQANCHMSA-N 400.525 3.189 0 40 HGAB CN(CC(=O)Nc1cccc(F)c1)C(=O)CCSCc1cn2ccccc2n1 12544565 UPECROZCXGYWEA-UHFFFAOYSA-N 400.479 3.194 0 40 HGAB COc1ccc2cc(C(=O)N3CCN(CC(=O)Nc4cccc(F)c4)CC3)ccc2c1 12770719 OTPCMUJQAWRCJZ-UHFFFAOYSA-N 421.472 3.384 0 40 HGAB CCOC(=O)c1[nH]c(C)c(C(=O)O[C@@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)c1C 12925190 AHKAAGQSXPRUDJ-NSDYXAQKSA-N 416.518 3.439 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc4ccccc4c3)CC2)s1 12996755 QXKPBYVRNITNQC-UHFFFAOYSA-N 400.525 3.356 0 40 HGAB O=C(Nc1ccccc1C(=O)O)c1cc(S(=O)(=O)NCc2ccccc2)cs1 13996914 CAPSPUUPEKEJFG-UHFFFAOYSA-N 416.480 3.177 0 40 HGAB CCOC(=O)c1ccc(NC(=O)CCCN(c2ccc(F)cc2)S(C)(=O)=O)cc1 14396360 VYDDHLBGYHIKHG-UHFFFAOYSA-N 422.478 3.187 0 40 HGAB C[C@@H](NC(=O)CN1C(=O)c2ccccc2S1(=O)=O)c1ccc(-c2ccccc2)cc1 15186843 UPIKULHVGUKNRU-MRXNPFEDSA-N 420.490 3.376 0 40 HGAB Cc1ccc(-c2nnc([C@@H]3CCCN3S(=O)(=O)c3ccc(F)c(F)c3)o2)cn1 19215124 WJDJHCYYQYSTGO-INIZCTEOSA-N 406.414 3.244 0 40 HGAB Cc1ccc2c(c1)C(=O)CC1(CCN(C(=O)Cn3nc(C(F)F)cc3C)CC1)O2 19218231 IYIRBUQWBYZWBD-UHFFFAOYSA-N 403.429 3.464 0 40 HGAB O=C(c1cc(C2CCN(Cc3ccccc3Cl)CC2)no1)N1CCC[C@H](O)C1 19348889 TWTKSXJCSDBQCT-KRWDZBQOSA-N 403.910 3.305 0 40 HGAB CCOc1ccc(CN2CCC[C@H](c3cc(=O)[nH]c(-c4cnccn4)n3)C2)cc1OC 19533804 WCDCKROTKHINAC-KRWDZBQOSA-N 421.501 3.014 0 40 HGAB COc1ccccc1CC(=O)N1CCC(c2cc(C(F)(F)F)n3ncnc3n2)CC1 19569502 KTYDARSDCZPBMZ-UHFFFAOYSA-N 419.407 3.100 0 40 HGAB O=C(C[C@H]1C(=O)N(C[C@H]2CCCO2)c2nc3ccccc3n21)Nc1ccc(F)cc1 20103485 AEJFEVDVBWPYAD-APWZRJJASA-N 408.433 3.271 0 40 HGAB O=C(NCCCN1CCCC1)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl 20105285 DXROZGHHOMGHAK-UHFFFAOYSA-N 421.950 3.357 0 40 HGAB CSc1ccccc1NC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C 20244871 DUWIVITYWUJUNU-UHFFFAOYSA-N 407.561 3.277 0 40 HGAB CC(=O)N[C@H]1CC[C@]2(C)CC[C@H]([C@H](C)C(=O)NCc3ccc(F)cc3)[C@H](O)[C@H]2[C@@H]1C 20466097 HHVXTHDWGRNAJO-DIANJTMYSA-N 418.553 3.406 0 40 HGAB biogenic,in-vitro CCOC(=O)c1cc(NC(=O)c2cncn2-c2ccccc2)cc(C(=O)OCC)c1 20676724 UWWSFCHIJLUACD-UHFFFAOYSA-N 407.426 3.478 0 40 HGAB CCOc1ccc(NC(=O)CN(c2ccc(OC(C)C)cc2)S(C)(=O)=O)cc1 22381290 MOPVQOIAXHTPHN-UHFFFAOYSA-N 406.504 3.277 0 40 HGAB CCC(CC)[C@H](CNC(=O)c1cc(F)ccc1Br)N1CCOCC1 22755756 OBQMJIBEJIXEOK-KRWDZBQOSA-N 401.320 3.455 0 40 HGAB COc1ccccc1[C@@H](C)NC(=O)CN1CCN(Cc2ccc(Cl)s2)CC1 22929461 UWBAXZJPOVISAS-OAHLLOKOSA-N 407.967 3.405 0 40 HGAB COc1cccc(CNC(=O)Cc2cc(O)nc(SCc3ccccc3F)n2)c1 23138443 OQAKYXXRWOIEED-UHFFFAOYSA-N 413.474 3.481 0 40 HGAB COc1ccc(OC)c(CN2CCN([C@@H](C(=O)N3CCCC3)c3ccccc3)CC2)c1 23257367 JVGWETOQUKWQNW-XMMPIXPASA-N 423.557 3.185 0 40 HGAB COc1ccc([C@@H]2CCCN2C(=O)C2CCN(C(=O)c3ccncc3)CC2)cc1OC 24434185 VVHWICUNLFFVPF-FQEVSTJZSA-N 423.513 3.315 0 40 HGAB CN1CCN(S(=O)(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)CC1 26786564 SKAWHXIQKIJULG-UHFFFAOYSA-N 415.559 3.173 0 40 HGAB CC(=O)Nc1ccc(S(=O)(=O)N(C#N)c2nc(C)cc(Oc3ccccc3)n2)cc1 27644412 DKPVWYGJJRZTKJ-UHFFFAOYSA-N 423.454 3.212 0 40 HGAB COc1ccc(CN2CCN(C(=O)/C=C/c3cnn(-c4ccccc4)c3)CC2)cc1F 30226403 WAEJTIVHSSYSPK-CSKARUKUSA-N 420.488 3.378 0 40 HGAB O=C(N[C@@H](CN1CCOCC1)c1ccccc1)c1cc(Cl)c2c(c1)OCCCO2 30540185 ONFRTDYNEZUUDJ-IBGZPJMESA-N 416.905 3.305 0 40 HGAB Cn1ncc2c(N3CCN(c4ccccc4)CC3)nc(NCCc3ccccc3)nc21 32095241 INTUBVZEPRNNKU-UHFFFAOYSA-N 413.529 3.345 0 40 HGAB O=S(=O)(c1ccc(F)c(F)c1)N1CCN(CCOc2cccc(Cl)c2)CC1 32652434 HGWYQBGRDYQPEI-UHFFFAOYSA-N 416.877 3.004 0 40 HGAB CC(C)n1cnnc1SCC(=O)N(C)CCOc1ccc(Br)cc1 32745337 FUHFQMWWZPBWPL-UHFFFAOYSA-N 413.341 3.251 0 40 HGAB COc1ccc(CC(=O)N2CCCN(c3ccc(C(F)(F)F)cn3)CC2)cc1OC 32768987 FMUCAIRGYLDZHX-UHFFFAOYSA-N 423.435 3.399 0 40 HGAB COc1ccc(CCNC(=O)c2c3c(nc4c2cnn4C(C)C)CCC3)cc1OC 36360188 MAVNXOJUMUBLMN-UHFFFAOYSA-N 408.502 3.491 0 40 HGAB Cc1ccc(NCC(=O)N[C@H](C)c2cc3ccccc3o2)cc1S(=O)(=O)N(C)C 39987701 JOOLVXFTVYJKKP-OAHLLOKOSA-N 415.515 3.281 0 40 HGAB CCc1noc(-c2ccc(NC(=O)[C@H]3CC(=O)N(c4ccc(OC)cc4)C3)cc2)n1 46018811 BRAKTYKJPBJWSO-HNNXBMFYSA-N 406.442 3.299 0 40 HGAB CCOC(=O)C1CCN(C(=O)CN2CCC[C@@H]2Cc2c(F)cccc2Cl)CC1 48289700 JKONTYOLLWFNOD-MRXNPFEDSA-N 410.917 3.288 0 40 HGAB COc1cc(C)c2[nH]c3c(c(=O)c2c1)CN(CC(=O)Nc1ccccc1Cl)CC3 67349871 IGYJYFCHCOOWBA-UHFFFAOYSA-N 411.889 3.495 0 40 HGAB CN(C)C(=O)CN1CCC[C@@H](c2nc(N)ncc2-c2ccc(C(F)(F)F)cc2)C1 72346065 MHOFRWBSXMRXDK-CQSZACIVSA-N 407.440 3.012 0 40 HGAB Cc1nccn1CCNC(=O)C1(Cc2cccc([C@@H]3CCCN(C)C3)c2)CCOCC1 72372227 PXRPVMGNJULMHG-HSZRJFAPSA-N 424.589 3.156 0 40 HGAB Cc1cc(NC(=O)CN2CC(c3nc(-c4cccc(C(F)(F)F)c4)no3)C2)no1 77191096 ABWGGCSVOBUKPN-UHFFFAOYSA-N 407.352 3.090 0 40 HGAB C[C@H](OC(=O)CCn1c(=O)oc2ccccc21)[C@H]1CCCN1C(=O)OC(C)(C)C 84636474 HNPJULNIDANCJT-LSDHHAIUSA-N 404.463 3.316 0 40 HGAB Cn1cc(-c2ccccc2CNC(=O)CCCOc2ccc3c(c2)CCC(=O)N3)cn1 95443890 WEPROSSPPYLQES-UHFFFAOYSA-N 418.497 3.447 0 40 HGAB COCc1cccc(OCC2(CN3C(=O)N[C@@]4(CCc5ccccc5C4)C3=O)CC2)c1 95448420 CYLLSWURQRMMER-RUZDIDTESA-N 420.509 3.472 0 40 HGAB COc1ccc(CN2CCN(C(=O)c3ccc4c(ccn4C)c3)CC2)c(OC)c1OC 95480386 AVRZEYYNKDWOKL-UHFFFAOYSA-N 423.513 3.162 0 40 HGAB CNC(=O)[C@@]12CCC3(CCN(C(=O)Nc4ccc(Cl)cc4)CC3)[C@@H]1CN(C)C2 96143836 YYTKANNJWRWJAL-LAUBAEHRSA-N 404.942 3.042 0 40 HGAB CN(Cc1ccccc1)[C@H]1COC2(CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1 96221006 BXNCVVLFISVFAA-HXUWFJFHSA-N 418.534 3.270 0 40 HGAB CC(C)C[C@@H](C(=O)NCCc1nc2ccccc2n1C)N1Cc2ccccc2C1=O 96224340 FWSSHHPOGATTOW-NRFANRHFSA-N 404.514 3.303 0 40 HGAB CCOc1ccc(NC2CCN([C@@H]3CC(=O)N(c4ccc(F)cc4)C3=O)CC2)cc1 100209928 LTAVZZWYYZPJAC-OAQYLSRUSA-N 411.477 3.433 0 40 HGAB NC(=O)c1cc(Cc2ccccc2)sc1NC(=O)[C@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1CC2 102334423 DIBMWTRICLPVDY-ZZCKCESHSA-N 410.495 3.289 0 40 HGAB Cc1ccccc1C(=O)N[C@H](C)c1nnc(SCC(=O)NCc2ccccc2)n1C 107647752 ZQISEQVHMYHXGW-MRXNPFEDSA-N 423.542 3.023 0 40 HGAB CC(C)Oc1cccc(NC(=O)CCCN2C(=O)c3ccccc3S2(=O)=O)c1 219438881 TYAYYCRIJQOEAF-UHFFFAOYSA-N 402.472 3.037 0 40 HGAB COC(=O)c1cccc(S(=O)(=O)NCc2nc(-c3ccc(C(C)C)cc3)no2)c1 223613364 CHTJLIJZSLWWMR-UHFFFAOYSA-N 415.471 3.125 0 40 HGAB COC(=O)CN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccc(OC)c(F)c1 225106840 VSQGSKMLDIXKFY-UHFFFAOYSA-N 401.843 3.164 0 40 HGAB COC(=O)CSc1nnc(NC(=O)CCCOc2ccc(Cl)cc2)s1 225229672 NSEMEAHZHLSPID-UHFFFAOYSA-N 401.897 3.254 0 40 HGAB COC(=O)Cc1ccc(NC(=S)NC2CCN(Cc3cccs3)CC2)cc1 225230574 MKERNSSKQDVIPX-UHFFFAOYSA-N 403.573 3.415 0 40 HGAB COc1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cc(C)ccc3C)C2)c1 225922525 QLSIDXZUZGKXBS-QGZVFWFLSA-N 402.516 3.351 0 40 HGAB COc1cc(OC)nc(NC(=S)NCC2(c3ccc(Cl)cc3)CCOCC2)n1 225994804 HIILXVBZHXIWMB-UHFFFAOYSA-N 422.938 3.182 0 40 HGAB COc1cccc(N(C)C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)c1 226077177 JTCLAQYZBALFNA-KRWDZBQOSA-N 402.516 3.067 0 40 HGAB COc1cc(/C=C/C(N)=O)ccc1OCc1ccc(I)cc1 226360946 QMBVMQQNWDSFAL-WEVVVXLNSA-N 409.223 3.377 0 40 HGAB O=C(c1cc(-c2cccs2)on1)N1CC(n2cc(COc3ccccc3)nn2)C1 238873914 NOLVGMGUGJBLDI-UHFFFAOYSA-N 407.455 3.271 0 40 HGAB C[C@@]12CC[C@@H](C[C@@H]1C(=O)NCCc1ccncc1)[C@]1(C2)NC(=O)c2ccccc2O1 253596099 NCVKOCNEDUKGLS-PZVOEZMOSA-N 405.498 3.085 0 40 HGAB O=C(NS(=O)(=O)c1ccccc1Br)c1ccc(N2CCCC2)cc1 257269530 MQJKGPIYDRNPRX-UHFFFAOYSA-N 409.305 3.168 0 40 HGAB Cc1ncoc1C(=O)NCC[C@H]1OCC[C@@]23C[C@@H](C[C@H]12)C(C)(C)[C@@H]3NC(=O)C(C)C 257312547 UOLSJCGMYRQTID-UUXHKQJFSA-N 417.550 3.085 0 40 HGAB O[C@]1(COc2ccccc2)CCCN(Cc2cccc(OCCn3ccnc3)c2)C1 257328652 XGOPGAGAHXOODP-XMMPIXPASA-N 407.514 3.368 0 40 HGAB Cc1cccc(CN2C[C@@H]3c4cc(-c5ccc(F)nc5)ccc4S(=O)(=O)[C@H]3C2)n1 306142564 XDIUEFNZKNEEFT-CTNGQTDRSA-N 409.486 3.346 0 40 HGAB CCC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)NC2CCCC2)cc1Cl 408584108 LQIZTILQDKANRK-ZDUSSCGKSA-N 402.944 3.245 0 40 HGAB Cc1ccc(OCC(=O)N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)cc1 408627992 PDEZNNGRGLGTSM-UHFFFAOYSA-N 400.347 3.418 0 40 HGAB CCOc1ccc(S(=O)(=O)Nc2ccc(NC(C)=O)cc2)cc1NC(=O)CC 408698481 QBZZNMIIQBGNEG-UHFFFAOYSA-N 405.476 3.193 0 40 HGAB CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(s/c(=C\c3cccc(C)c3)c2=O)=N1 409043141 ZSBPZKOCJUQDNZ-PHJXOXRPSA-N 418.518 3.107 0 40 HGAB CCCN1C(=O)N/C(=C/c2ccc(OCc3cccc(C(=O)O)c3)c(OC)c2)C1=O 409231303 BTNYXEPWJSUMJR-GZTJUZNOSA-N 410.426 3.275 0 40 HGAB O=C1COC[C@H](C[C@H]2CN(C(=O)CCn3ccc4ccccc43)c3ccccc32)N1 519656758 BYPVFNUCFNOHQS-OALUTQOASA-N 403.482 3.067 0 40 HGAB Cc1cnn([C@H]2CCCc3ccccc32)c1NC(=O)c1cnc2nc(O)nc(O)c2c1 524419297 BDFHLPVSXWCRPS-KRWDZBQOSA-N 416.441 3.119 0 40 HGAB Cc1nc(CO[C@@H]2CCN(C(=O)C3CC(O)C3)C[C@H]2Cc2ccccc2)cs1 585113497 REXDSKFAHDHOTA-APDGNVHQSA-N 400.544 3.199 0 40 HGAB CCCc1cnc(Nc2cc(C)nc(C3CCN(C(=O)C(C)(C)N)CC3)n2)s1 585263632 XAMHVCFHZZYLLB-UHFFFAOYSA-N 402.568 3.381 0 40 HGAB Cc1cc(C)nc(Nc2ccc([C@H]3CCCN(C(=O)/C=C/c4cnc[nH]4)C3)nc2)n1 585291097 KCHNNULMXDWJOO-JKNJVXJCSA-N 403.490 3.375 0 40 HGAB O=C(Cc1c[nH]c2ccc(F)cc12)N[C@H]1CCCN(Cc2ccc(F)cc2F)C1=O 682552049 GOJZHXIRYMMVRR-FQEVSTJZSA-N 415.415 3.435 0 40 HGAB O=C1CCCC[C@]2(CN(S(=O)(=O)c3ccccc3)C[C@H]2c2cccc(F)c2)N1 1848355873 OSKPGLXGGDIGJJ-PZJWPPBQSA-N 402.491 3.043 0 40 HGAB Cc1cnc(C(=O)N2CCC(COc3ccc4nc(C(C)(C)C)cn4n3)CC2)cn1 1888890510 UHMPLCCTPWWTLF-UHFFFAOYSA-N 408.506 3.056 0 40 HGAB O=C(N1CCOCC1)N1CCC(c2ccc3cc(-c4ccncc4)cnc3n2)CC1 1888921824 WWOTZKLINDBGHL-UHFFFAOYSA-N 403.486 3.323 0 40 HGAB Cc1cc(N2CCCN(c3ccc4nc(C(C)(C)C)cn4n3)CC2)n2nccc2n1 2087063092 GLAXEAREPUSUGP-UHFFFAOYSA-N 404.522 3.095 0 40 HGAB COc1cc(C(=O)N[C@@H](c2ccccc2)n2nnc3ccccc32)cc(OC)c1OC 885450 JHJWTRLYVQVGBA-JOCHJYFZSA-N 418.453 3.434 0 40 HGAB Nc1c(S(=O)(=O)c2cccs2)c2nc3ccccc3nc2n1C[C@H]1CCCO1 2412138 BGRMFHLCLVIADV-GFCCVEGCSA-N 414.512 3.240 0 40 HGAB O=C(CSc1ccccc1C(=O)NC[C@H]1CCCO1)Nc1ccc2c(c1)OCO2 3417364 YTUXTOGVOXSZTM-OAHLLOKOSA-N 414.483 3.055 0 40 HGAB CNc1ccc(C(=O)N[C@H](CCCCNC(=O)OCc2ccccc2)C(=O)O)cc1 4830555 NNILTJHYOHFXJI-LJQANCHMSA-N 413.474 3.008 0 40 HGAB Cc1cc(OCC(=O)N2CCN(c3ccccc3)CC2)c2c(C)c(C)c(=O)oc2c1 5348178 VXTBNTFUKMKCIQ-UHFFFAOYSA-N 406.482 3.446 0 40 HGAB CCn1nnc2cc(C(=O)O[C@@H](C)C(=O)Nc3cc(Cl)ccc3OC)ccc21 5805106 VNHRBBSFEUDTQM-NSHDSACASA-N 402.838 3.297 0 40 HGAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)COc2ccccc2OC)c1C 6027741 LZTSSIXRHUSSGJ-AWEZNQCLSA-N 403.431 3.010 0 40 HGAB COc1cccc(CN(C(=O)c2ccc(OC(C)C)cc2)[C@@H]2CCS(=O)(=O)C2)c1 6810912 UGRBZSJIIYCLPY-LJQANCHMSA-N 417.527 3.312 0 40 HGAB CC[C@@H](C)N(C(=O)COc1ccccc1Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 6839450 LXUADJYAHISQBQ-NQIIRXRSSA-N 415.555 3.470 0 40 HGAB COc1ccccc1NC(=O)[C@@H](C)OC(=O)CCc1c(C)nc(SC)nc1C 7437652 AQSPTLHRMTUBGE-CQSZACIVSA-N 403.504 3.327 0 40 HGAB CC[C@]1(c2ccc(C)cc2)NC(=O)N([C@@H](C)C(=O)Nc2ccc(NC(C)=O)cc2)C1=O 8157393 SMTCETWMXIQQBF-NPMXOYFQSA-N 422.485 3.138 0 40 HGAB Cc1ccc(N2C(=O)N(c3ccc(Br)cc3)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 9254250 OKHWAVVJEYVCQF-DLBZAZTESA-N 421.316 3.370 0 40 HGAB O=C(CSc1nnc(C2CC2)n1-c1ccccc1)NC[C@@H]1COc2ccccc2O1 9353529 ALTRPFAPCKXNBG-QGZVFWFLSA-N 422.510 3.193 0 40 HGAB CCNC(=O)c1c(NC(=O)c2nn(-c3ccccc3)ccc2=O)sc2c1CCCC2 9484278 GCCKVXCYBSNNQQ-UHFFFAOYSA-N 422.510 3.175 0 40 HGAB Cc1cc(C)c(NC(=O)Cn2c(-n3nc(C)cc3C)nc3c(c2=O)CCC3)c(C)c1 9520785 GVGWSKBFOAYOBP-UHFFFAOYSA-N 405.502 3.099 0 40 HGAB O=S(=O)(NCCOc1ccc(-c2ccc(F)cc2)nn1)c1ccc(Cl)cc1 9852888 DKODKCGYIWXKLZ-UHFFFAOYSA-N 407.854 3.293 0 40 HGAB O=C(COc1cccc2c1CCC2=O)Nc1cccc(I)c1 10197864 DVPBUFKPDKMBSZ-UHFFFAOYSA-N 407.207 3.438 0 40 HGAB CCc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(C(=O)OC)Nc3nnnn32)cc1 10231945 LSKRSXAERWUAPF-GOSISDBHSA-N 423.860 3.214 0 40 HGAB CCOC(=O)c1c(C)nn(-c2nc(C)cc(C)n2)c1NC(=O)CCc1ccccc1 10382169 HVCZKTUPFGJIOG-UHFFFAOYSA-N 407.474 3.336 0 40 HGAB O=C(Nc1ccc(N2CCOCC2)cc1)C1(S(=O)(=O)c2ccccc2)CCCC1 11328538 RMGWMZXMERBWMJ-UHFFFAOYSA-N 414.527 3.248 0 40 HGAB Cc1cc(C(=O)N2CCOCC2)nn1CC(=O)Nc1ccc(Oc2ccccc2)cc1 11927668 YSOPPWWDSINHDW-UHFFFAOYSA-N 420.469 3.095 0 40 HGAB CCCc1cc(=O)[nH]c(-n2nc(-c3ccco3)cc2NC(=O)c2cc(C3CC3)on2)n1 12007590 AKJQJVNGTXYXIX-UHFFFAOYSA-N 420.429 3.286 0 40 HGAB CC(C)(C)c1cc(C(=O)N2CCC[C@@H](c3nc4ccccc4cc3C(N)=O)C2)[nH]n1 12088387 OBTITSJTTYOKFH-OAHLLOKOSA-N 405.502 3.374 0 40 HGAB CCS(=O)(=O)N1CCC(c2cc3nc(C(C)C)cc(C(F)(F)F)n3n2)CC1 12276081 MMFTWBUVNWZHHC-UHFFFAOYSA-N 404.458 3.401 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCN(c3ccc(-c4cccs4)nn3)CC2)s1 12443585 JGUVJXHPLDKRSN-UHFFFAOYSA-N 406.558 3.086 0 40 HGAB C[C@H](NC(=O)Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)c1cccnc1 12541774 BVCCPUMPSFRDHS-HNNXBMFYSA-N 413.474 3.441 0 40 HGAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccc(N2CCN(C)CC2)cc1 12557716 JCWAYUSCMVZWHA-HSZRJFAPSA-N 404.514 3.341 0 40 HGAB C[C@H](NC(=O)COC(=O)c1cc(=O)[nH]c2ccccc12)C12CC3CC(CC(C3)C1)C2 12566454 CTFPEYOJRTUGPJ-IOAHRDFVSA-N 408.498 3.406 0 40 HGAB O=C(Cn1nnc(-c2ccc(Br)cc2)n1)NCCc1ccc(Cl)cc1 12575692 SAGCXQLGCZRQSN-UHFFFAOYSA-N 420.698 3.115 0 40 HGAB COc1cc2c(c3oc(=O)c(CC(=O)NCc4ccccn4)c(C)c13)CCC(C)(C)O2 12664639 HYMYVGJNZJPLJE-UHFFFAOYSA-N 422.481 3.468 0 40 HGAB biogenic CCc1onc(C)c1C(=O)N1CCCC[C@H]1c1c(-c2cc(C)no2)cnn1CCO 19521125 MMMXLTFCMYONQV-INIZCTEOSA-N 413.478 3.065 0 40 HGAB CC(C)c1cc(C(=O)N2CCN(c3ccccc3C(F)(F)F)CC2)nn2cnnc12 19716275 XNWIGFGDRVGBJR-UHFFFAOYSA-N 418.423 3.229 0 40 HGAB CC(C)(C)OC(=O)N1CCN(Cc2cccc(I)c2)CC1 19850910 JLVMTCLEBCUNPU-UHFFFAOYSA-N 402.276 3.344 0 40 HGAB CCN(c1cccc(C)c1)S(=O)(=O)c1nnc(NC(=O)c2ccc(F)cc2)s1 20486711 HJCYEWVJGZRMFS-UHFFFAOYSA-N 420.491 3.453 0 40 HGAB COc1cc(CNCCc2nnc3ccccn23)ccc1OCc1csc(C)n1 21866282 GTZFNRWXVMLCGU-UHFFFAOYSA-N 409.515 3.414 0 40 HGAB Cc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(=O)N[C@@H](C)c1ccc(F)cc1 22537233 CTQDBZAHKLSPES-INIZCTEOSA-N 420.506 3.175 0 40 HGAB O=C(c1ccsc1)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 22650530 VSEVPRQGLWQICA-UHFFFAOYSA-N 405.328 3.202 0 40 HGAB CCn1c(C)cc(O)c([C@@H](c2ccc(F)cc2)N2CCN(c3ccccn3)CC2)c1=O 22697195 MLJKRYXUERMMDU-HSZRJFAPSA-N 422.504 3.328 0 40 HGAB O=C(NCCCN1CCCC1=O)c1cnn(-c2cccc(Cl)c2)c1C(F)(F)F 23187035 QPIGXQOYKKGCFH-UHFFFAOYSA-N 414.815 3.287 0 40 HGAB Cc1noc2nc(-c3cccs3)cc(C(=O)NCCCN3C[C@H](C)O[C@@H](C)C3)c12 23509681 CISDEXNLVBRHEI-KBPBESRZSA-N 414.531 3.489 0 40 HGAB CC[C@H](NC(=O)CN1C(=O)N[C@@]2(C[C@@H](C)CC(C)(C)C2)C1=O)c1ccc(OC)cc1 23649659 PLGAXPSLGFUTGT-FMKFIRIRSA-N 415.534 3.399 0 40 HGAB C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)NCCC3=CCCCC3)c2)C[C@@H](C)O1 24751109 NOKASNUKCXZVPP-CALCHBBNSA-N 406.548 3.105 0 40 HGAB CCN(CC)S(=O)(=O)c1cc(C(=O)OCC(=O)c2cccc(OC)c2)ccc1C 25023483 LVOPNGOPZZWGQP-UHFFFAOYSA-N 419.499 3.074 0 40 HGAB CC(C)=C[C@@H]1[C@@H](C(=O)N2CCCN(S(=O)(=O)c3ccc(C)cc3)CC2)C1(C)C 25917954 OPNLNGKTVGYHEN-UXHICEINSA-N 404.576 3.456 0 40 HGAB CCOc1cc(C(=O)NC[C@@H](CC(C)C)N2CCOCC2)ccc1OC(F)F 26061985 LNBRGYQSJVLAHE-MRXNPFEDSA-N 400.466 3.163 0 40 HGAB CC(C)(C)[C@H]1CCc2sc(C(=O)Nc3ccc(N4CCNC(=O)C4)nc3)cc2C1 27262647 AQXRZIBVKPBHKY-HNNXBMFYSA-N 412.559 3.483 0 40 HGAB O=C(c1ccccc1Cl)N1CCN(c2ncnc3cc4c(cc23)OCCO4)CC1 28556156 HIDZRIGSQDSOHM-UHFFFAOYSA-N 410.861 3.017 0 40 HGAB COc1ccc(CSC2=N[C@H]3CS(=O)(=O)C[C@H]3N2c2ccc(F)cc2F)cc1 32639749 SQDKUXDZMUXXKI-FUHWJXTLSA-N 424.494 3.248 0 40 HGAB COC(=O)[C@H](C)CN(C)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 32927682 PYMRZPKSHMDHSJ-SSDOTTSWSA-N 419.124 3.186 0 40 HGAB CC(=O)N1CCOc2cc(S(=O)(=O)N3CCC[C@H]3c3cccc(F)c3)ccc21 36620942 HRVGNYQMMPIXME-SFHVURJKSA-N 404.463 3.097 0 40 HGAB CCN1CCN(Cc2ccc(CNC(=O)c3ccc(Br)o3)cc2)CC1 40115679 ZPDVLHWLJAJNAJ-UHFFFAOYSA-N 406.324 3.110 0 40 HGAB CCCNC(=O)c1cccc(NC(=O)[C@@H](CC(C)C)N2C(=O)c3ccccc3C2=O)c1 40134396 LYRDCCRCNOXDTP-HXUWFJFHSA-N 421.497 3.476 0 40 HGAB COc1ccccc1-c1c2c(=O)n(CCc3cccs3)ccc2nc2ncnn12 40398183 AQPDNNWKJQAZCV-UHFFFAOYSA-N 403.467 3.419 0 40 HGAB C[C@@H]1CN(c2ccc(CNC(=O)c3cc(-c4ccccc4Cl)[nH]n3)cn2)CCO1 46720655 GAQVEJLQCMEGGS-CQSZACIVSA-N 411.893 3.280 0 40 HGAB CN(C)S(=O)(=O)c1ccc(CNC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 47700248 JWHLSFQHRCZDBV-UHFFFAOYSA-N 417.409 3.157 0 40 HGAB Cc1cccc2c(=O)n(CCC(=O)NCCc3ccc(OC(F)(F)F)cc3)cnc12 48344330 QYORQPZUYUPCHP-UHFFFAOYSA-N 419.403 3.353 0 40 HGAB CCn1ncc2ccc(NS(=O)(=O)c3ccc(NC(=O)C(F)(F)F)cc3)cc21 58005288 XKGVMXUYUJEAOH-UHFFFAOYSA-N 412.393 3.358 0 40 HGAB O=C(COC(=O)c1cncc(Br)c1)NCc1ccc(F)c(Cl)c1 67208206 SZFVCSNNNQJNDT-UHFFFAOYSA-N 401.619 3.110 0 40 HGAB COc1ccccc1N1CCN(C(=O)c2n[nH]nc2Nc2cccc(Cl)c2)CC1 67284678 GPULQJLNDVWAKI-UHFFFAOYSA-N 412.881 3.173 0 40 HGAB CCc1ccc(NC(=O)Cn2c(-c3ccc(F)cc3)nc(C)c(CCO)c2=O)cc1 67300840 NFJXRJCGHOULOO-UHFFFAOYSA-N 409.461 3.094 0 40 HGAB COC(=O)c1ccc(CSc2nnc(NC(=O)c3snnc3C)s2)cc1 70634967 PSLHFYXYTYVAHE-UHFFFAOYSA-N 407.502 3.029 0 40 HGAB Cc1nc(C)c(C(=O)N2CCC(c3nc(C)c(C)c(N4CCOCC4)n3)CC2)s1 72337163 UVPMSZOYSVIHRE-UHFFFAOYSA-N 415.563 3.023 0 40 HGAB COc1cccc(OC)c1CN1CCC[C@@H](c2cc(=O)[nH]c(-c3ccncc3)n2)C1 72392907 IIVYWXJKJIUODX-QGZVFWFLSA-N 406.486 3.229 0 40 HGAB CCn1c(=O)n(CC(=O)Nc2c(SC)cnn2-c2ccccc2)c2ccccc21 79096421 RAUPXGGXCUGIEZ-UHFFFAOYSA-N 407.499 3.369 0 40 HGAB CC(C)(C)OC(=O)N[C@@H]1CCCCCC[C@H]1C(=O)NCCCNc1ncccn1 79098853 PXADLSXYRAIJGM-IAGOWNOFSA-N 405.543 3.259 0 40 HGAB CCC(CC)(CNCc1nc(-c2ccc(OC(F)F)c(OC)c2)no1)C(=O)OC 84727279 WUEHUCYFDHUYHB-UHFFFAOYSA-N 413.421 3.416 0 40 HGAB O=C(C[C@H]1NC(=O)c2ccccc2NC1=O)NCc1cccc(Oc2ccccc2)c1 85878826 ZIKWGZYSCYPYSI-OAQYLSRUSA-N 415.449 3.236 0 40 HGAB biogenic C[C@@H](CO)NC(=O)[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1 95471327 BXCUNTJJGJDHPO-MBSDFSHPSA-N 402.494 3.173 0 40 HGAB CC[C@@H](NS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O)c1ccc(Cl)cc1 95942001 JFNLSGXHHBLHOJ-GOSISDBHSA-N 420.918 3.397 0 40 HGAB CCCS(=O)(=O)NC1CCN(c2nc(C(F)(F)F)nc3ccc(F)cc23)CC1 95948808 CPSSWXQGIVBXFH-UHFFFAOYSA-N 420.432 3.086 0 40 HGAB CN1CC(=O)N(c2ccsc2)C[C@]12CCN(C(=O)c1ccc(C(F)(F)F)cc1)C2 96238147 VSUUJVSOTXAUKA-LJQANCHMSA-N 423.460 3.330 0 40 HGAB COC(=O)[C@@]1(Cc2ccc(OC)cc2)C(=O)C[C@H]2CC[C@H]1N2Cc1cccc(OC)c1 100186365 XAAJGQSXNFAOIO-OPJGWUQDSA-N 423.509 3.412 0 40 HGAB O=C(CC12C[C@H]3C[C@H](C1)CC(n1cncn1)(C3)C2)N1CCC(Oc2cccnc2)CC1 100731167 KQJXAQBMNRPSHC-UOYQGRGCSA-N 421.545 3.429 0 40 HGAB COC(=O)C1=C(C)Nc2nc(SCc3ccccc3)[nH]c(=O)c2[C@H]1c1ccncc1 100821751 YONUZQQWDGFRMF-KRWDZBQOSA-N 420.494 3.462 0 40 HGAB COCCn1/c(=N/C(=O)c2c[nH]c3ccccc23)sc2cc(C(=O)OC)ccc21 100873798 SLYUOGCTBPNVJB-LNVKXUELSA-N 409.467 3.358 0 40 HGAB Cc1cc(N2C(=O)[C@@H]3[C@@H]4CC[C@H](O4)[C@@H]3C2=O)nn1Cc1ccc(Cl)cc1Cl 102014451 VNQCGRGVWMGPII-NXNVCVFFSA-N 406.269 3.213 0 40 HGAB O=C1[C@H]2[C@H](C(=O)N1c1cccc(C(F)(F)F)c1)N1CCCN1[C@H]2c1ccc(F)cc1 102695346 RASNOJDOUWQTMT-FGTMMUONSA-N 419.378 3.380 0 40 HGAB COC(=O)[C@H]1CC[C@@]2(O)[C@@H]3CC[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC(=O)[C@]12C 118923315 HPLLIRHYKNUAJM-WMYYWEBASA-N 406.519 3.044 0 40 HGAB CS(=O)(=O)Nc1ccc(C(=O)NCCCN2CCCc3ccccc32)c(Cl)c1 219287857 AZGDAVVIDVNBJB-UHFFFAOYSA-N 421.950 3.284 0 40 HGAB O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@@H]2C1=O)[C@@H]1C[C@H]31)Nc1ccc(Oc2ccccc2)cc1 222464531 BHLDCODYWYEGSQ-NFOZHWPDSA-N 414.461 3.471 0 40 HGAB COc1ccccc1CN1C(=O)CC[C@H]1C(=O)Nc1ccc2c(c1)C(C)(C)C(=O)N2 223409906 AQCKSDRKHJLGTO-SFHVURJKSA-N 407.470 3.055 0 40 HGAB Cc1ccc([C@@H](C)NS(=O)(=O)c2nnc(NC(=O)c3ccccc3C)s2)cc1 223950956 FYZIZMYPJIPSNV-CQSZACIVSA-N 416.528 3.447 0 40 HGAB Cc1ccc(OCCNC(=O)[C@@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)c(C)c1 224009903 FJKDTHAHWBZWOO-MRXNPFEDSA-N 424.950 3.307 0 40 HGAB O=C1CCCN1c1cccc(CNC(=S)Nc2cccc(N3CCCC3=O)c2)c1 225647359 UAOYAGIBXLCWRM-UHFFFAOYSA-N 408.527 3.427 0 40 HGAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NCC(C)(C)C)CC2)cc1Cl 226047344 DIJAAJIZWBPDSF-UHFFFAOYSA-N 416.971 3.302 0 40 HGAB Cc1ccc(O[C@H]2CCN(S(=O)(=O)c3ccccc3OC(F)(F)F)C2)nc1 238863730 LGUUGNRABBMLRB-ZDUSSCGKSA-N 402.394 3.131 0 40 HGAB CC1(C)Oc2cc(O)ccc2[C@H]2OCC3(CCN(C(=O)CN4CCCC4)CC3)C[C@@H]21 257207776 BJEMNLCVVCVVKT-SIKLNZKXSA-N 414.546 3.345 0 40 HGAB C[C@@H]1CN(C(=O)NCc2ccccc2)CC[C@]12CC[C@@H](C(=O)Nc1cccnc1)O2 306124513 BSFZYYBQXFAIEY-DHJUGAMNSA-N 408.502 3.190 0 40 HGAB CCOC(=O)Nc1cc(S(=O)(=O)N(C)Cc2ccc(OC)cc2)ccc1OC 408588078 XHOBCBSQPKMZDV-UHFFFAOYSA-N 408.476 3.093 0 40 HGAB CC1CCN(C(=O)COc2ccc(S(=O)(=O)NC3CCCC3)cc2Cl)CC1 408591479 JDGSBLGTWMDAJE-UHFFFAOYSA-N 414.955 3.198 0 40 HGAB COc1ccc(C(=O)OCC(=O)Nc2ccc(C(=O)OCC(C)C)cc2)cc1OC 408645518 KZSZHOOCRUVHSO-UHFFFAOYSA-N 415.442 3.312 0 40 HGAB CS(=O)(=O)c1ccc(C(=O)Nc2cc(C3CCCC3)[nH]n2)cc1Br 537658916 HNIPXJYSOGJROW-UHFFFAOYSA-N 412.309 3.486 0 40 HGAB O=C(CN1CCN(C(=O)c2cccc(Cl)c2Cl)CC1)NCC1CCCCC1 642651331 BXNJTDAYTQPWEL-UHFFFAOYSA-N 412.361 3.448 0 40 HGAB FC(F)(F)c1ccc(N2CC[C@@H](COc3ccc4nnc(C5CC5)n4n3)C2)cn1 1888890977 CPSKOINLZSBGAO-GFCCVEGCSA-N 404.396 3.321 0 40 HGAB O=C([C@@H]1CCCN(c2ncc(Br)cc2Cl)C1)N1CCSCC1 2086868910 AOWOJVDFEIAGDK-LLVKDONJSA-N 404.761 3.289 0 40 HGAB CCN1CCN(c2ccc(NC(=O)C3CCN(C(=O)C(C)(C)C)CC3)cc2C)CC1 36632505 URPWJTFHSAITPE-UHFFFAOYSA-N 414.594 3.360 0 40 HGAB CCCn1nnc(NC(=S)NC(=O)COc2ccc(C3CCCCC3)cc2)n1 1267359 QLXVEGYZCVBWPW-UHFFFAOYSA-N 402.524 3.023 0 40 HGAB C[C@@H]1Oc2ccccc2N(CC(=O)N(Cc2ccccc2)Cc2ccccn2)C1=O 1361853 HKCIEYIYZFKDLL-SFHVURJKSA-N 401.466 3.425 0 40 HGAB COC(=O)C[C@@H]1SC(=O)N[C@]12Oc1ccccc1[C@@H]1CC(c3ccccc3)=NN12 1470548 CEHBDOODFBGBGJ-DJPFJPOOSA-N 409.467 3.272 0 40 HGAB COc1cc([C@H]2c3cc4c(cc3O[C@H](OC(C)=O)[C@@H]2C)OCO4)cc(OC)c1OC 1608019 MNYOZBKWYSFDMB-UDGLNKMVSA-N 416.426 3.491 0 40 HGAB Cc1c(N2C3=[N+](CCCCC3)C[C@]2(O)c2ccccc2)c(=O)n(-c2ccccc2)n1C 3196403 UVEKHWYHXJFFLR-VWLOTQADSA-N 417.533 3.135 0 40 HGAB Cc1cc(C)c2[nH]c(=O)c(CN(CCO)C(=S)NCCc3ccccc3)cc2c1 4132702 PQEKOELANBMMQJ-UHFFFAOYSA-N 409.555 3.056 0 40 HGAB CCC(=O)N(c1nnc(SCc2cc(=O)n3c(C)csc3n2)s1)C1CC1 6604774 UCYJBXNFWAIACY-UHFFFAOYSA-N 407.546 3.114 0 40 HGAB CC(C)NC(=O)CSc1ccccc1C(=O)OCC(=O)N[C@H](C)c1ccccc1 6881056 SLSKKRLVZGVSIH-MRXNPFEDSA-N 414.527 3.338 0 40 HGAB CN(CCOc1ccccc1F)C(=O)c1cccc(S(=O)(=O)NC(C)(C)C)c1 32787942 RUNSFGIGQQDTOY-UHFFFAOYSA-N 408.495 3.054 0 40 HGAB O=C(CC1(C(=O)O)CCCC1)Nc1ccccc1C(=O)NCc1ccc2c(c1)OCO2 32739802 RSUKLPXKOAQFJG-UHFFFAOYSA-N 424.453 3.319 0 40 HGAB Cc1cc(NC(=O)Cn2cnc3c(C)cccc3c2=O)n(-c2cccc(Cl)c2)n1 32859960 LWGZBNIKNOLKJN-UHFFFAOYSA-N 407.861 3.491 0 40 HGAB COc1ccc2cc([C@@]3(C)NC(=O)N(CC(=O)c4cc(C)n(C)c4C)C3=O)ccc2c1 2628131 ZONSVNUDUIEMLI-XMMPIXPASA-N 419.481 3.454 0 40 HGAB O=C(CSc1nc(CCC2CCCC2)n[nH]1)N[C@H]1CCN(Cc2ccccc2)C1 23080921 BJTJTHUFKMANSM-IBGZPJMESA-N 413.591 3.410 0 40 HGAB CC[C@H](Oc1cc(Cl)ccc1Cl)C(=O)NN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O 104562493 GXXDUYNDEJDOHA-VGFDRUHJSA-N 411.285 3.213 0 40 HGAB Cc1cc(Br)c2c(c1)[C@@H](O)C(CN1CCCC1)(CN1CCCC1)CO2 55120893 PDXQJJMYQWQJPI-LJQANCHMSA-N 409.368 3.361 0 40 HGAB CCc1ccc([C@@H]2[C@@H](C(=O)OC(C)C)C(=O)C[C@@](C)(O)[C@@H]2C(=O)OC(C)C)cc1 1019481 VBEOCZTYICTUGT-QTDGGUCWSA-N 404.503 3.192 0 40 HGAB O=C(COC(=O)c1cccc(I)c1)NCCC1=CCCCC1 3250007 AQEPSXCTIIIZKW-UHFFFAOYSA-N 413.255 3.455 0 40 HGAB COc1ccc([C@H](C)NC(=O)CN(c2ccc(C)c(Cl)c2)S(C)(=O)=O)cc1 20450229 VSUHRNYHDFUSNY-AWEZNQCLSA-N 410.923 3.300 0 40 HGAB COc1cc(/C=C/C(=O)OCC(=O)NCCC2=CCCCC2)cc(OC)c1OC 3300346 QBSJGEFCHURMER-MDZDMXLPSA-N 403.475 3.276 0 40 HGAB O=C(CCc1ccccc1F)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@@H]1CCCO1 12765525 AZUWUAHMIWNLLO-KRWDZBQOSA-N 409.461 3.203 0 40 HGAB CCOC(=O)c1[nH]c(C)c(C(=O)OCC(=O)N(Cc2ccccc2)C(C)C)c1C 3483715 JTFLKBUKFNVGGZ-UHFFFAOYSA-N 400.475 3.402 0 40 HGAB O=C(Nc1nnc(SCc2cc(=O)n3ccsc3n2)s1)c1ccccc1F 20984099 FARQMKIAYPJVIK-UHFFFAOYSA-N 419.488 3.291 0 40 HGAB Cc1noc(C)c1COC(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1 4163293 KCSIADTXTARWNM-UHFFFAOYSA-N 406.504 3.142 0 40 HGAB Cc1ccc(C(=O)COC(=O)[C@H](C(C)C)N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@@H]3C2=O)cc1C 4181988 FGLSBANXJAAJQN-ZZEDZQHJSA-N 411.498 3.085 0 40 HGAB CN(CC(=O)Nc1ccc(N2CCCCCC2)cc1)Cc1nc2ccccc2c(=O)[nH]1 49611721 WNSKEUMZFLGZSH-UHFFFAOYSA-N 419.529 3.374 0 40 HGAB C[C@@H](Sc1nnc(-c2cccnc2)n1C1CC1)C(=O)N1CC(=O)Nc2ccccc21 14129387 LFWOLESDGGMZBW-CYBMUJFWSA-N 420.498 3.141 0 40 HGAB CCCc1cc(=O)oc2cc(OCC(=O)N(C)C[C@H]3COc4ccccc4O3)ccc12 27273553 RDVHZNQTFLHLAO-SFHVURJKSA-N 423.465 3.423 0 40 HGAB CCOCCCNC(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccc(C)cc1 409117917 PMSSZAQTZCAAPI-UHFFFAOYSA-N 418.559 3.350 0 40 HGAB CCS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1ccc(C(F)(F)F)cc1 6648014 QBLFONXBLGMKTA-QGZVFWFLSA-N 412.433 3.421 0 40 HGAB C[C@H]1CCc2sc(C(=O)Nc3cccc(S(=O)(=O)N4CCOCC4)c3)cc2C1 6625808 ZSZKRYLYMYKSOU-AWEZNQCLSA-N 420.556 3.146 0 40 HGAB CC(C)(C)c1ccc(C(=O)CN2C(=O)N[C@@](C)(c3ccc4c(c3)OCO4)C2=O)cc1 5937748 OXXFGMNWIQVHDK-QHCPKHFHSA-N 408.454 3.363 0 40 HGAB Cc1c(CC(=O)Nn2cnnc2)c(=O)oc2cc3occ(-c4ccccc4)c3cc12 8990381 NFAAOODKCUCRNQ-UHFFFAOYSA-N 400.394 3.419 0 40 HGAB O=S(=O)(Nc1ccc2nc(N3CCOCC3)sc2c1)c1ccc2c(c1)CCC2 9882115 CSQOLEMVFOCIKE-UHFFFAOYSA-N 415.540 3.422 0 40 HGAB COc1ccc(CN2C(=O)N[C@@H](CCC(=O)Nc3cc(Cl)ccc3C)C2=O)cc1 9419138 OTUFBDUXSQWLKF-KRWDZBQOSA-N 415.877 3.496 0 40 HGAB CN(C(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O)C1CCCCC1 20451856 KUMXULRLJJYLCH-UHFFFAOYSA-N 403.342 3.006 0 40 HGAB CC(C)(C)c1ncc(NC(=O)[C@H]2CCCN(C(=O)CCOc3ccccc3)C2)cn1 71830042 IPUUGUFVDGEOBR-KRWDZBQOSA-N 410.518 3.420 0 40 HGAB Cc1cccc(CN2CCC(NC(=O)c3ccnc(N4CCO[C@H](C)C4)c3)CC2)c1 72305405 BAQYFNPUWXTZMJ-LJQANCHMSA-N 408.546 3.010 0 40 HGAB CCOc1ccc(CC(=O)OCC(=O)Nc2cc(Cl)c(OC)cc2OC)cc1 72333714 SJSQAMTWMMUKMZ-UHFFFAOYSA-N 407.850 3.480 0 40 HGAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(OC)cc3)CC2)cc1 23652141 CBOUHGWWARMTPI-UHFFFAOYSA-N 418.515 3.133 0 40 HGAB C[C@H](OC(=O)CCn1c(=O)oc2ccccc21)[C@@H]1CCCN1C(=O)OC(C)(C)C 84636469 HNPJULNIDANCJT-GJZGRUSLSA-N 404.463 3.316 0 40 HGAB COc1ccc(CN2CCN([C@@H](C(=O)N3CCCC3)c3ccccc3)CC2)cc1OC 95347363 TUWNTWNPAAKTGJ-XMMPIXPASA-N 423.557 3.185 0 40 HGAB CN(C)CCCC1CCN(C(=O)CNC(=O)CC23CC4CC(CC(C4)C2)C3)CC1 95452774 ZPGIOYSKOTWKTF-UHFFFAOYSA-N 403.611 3.290 0 40 HGAB CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)CN2CCCCCc3ccccc32)C1=O 78950312 LTJYDZDOMJQJHT-XMMPIXPASA-N 420.513 3.108 0 40 HGAB COC(=O)C1(NC(=O)COc2c(C)cccc2C)CCN(Cc2ccccc2)CC1 95995436 RNIUBDVEZPHVEN-UHFFFAOYSA-N 410.514 3.006 0 40 HGAB CC(C)(C)OC(=O)NCCSc1nc2ccccc2c(=O)n1C[C@H]1CCCO1 95959610 CJGXUWQNKZLYJO-CQSZACIVSA-N 405.520 3.192 0 40 HGAB Cc1nc(CN(C)Cc2cnn(C)c2C)nc2c1CCC(=O)N2Cc1ccc(F)cc1 72371018 KMAOESYSUXQLPN-UHFFFAOYSA-N 422.508 3.077 0 40 HGAB COC(=O)CN1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3)cc2)NC1=S 409216766 OIWRZZKOVVMNBR-YVLHZVERSA-N 416.886 3.150 0 40 HGAB COc1cc2c(cc1C)C(=O)[C@H]([C@]1(O)C(=O)Nc3ccc(Br)cc31)CC2 408567139 PVNHVTGUMIIHAG-JLTOFOAXSA-N 416.271 3.351 0 40 HGAB COCC(=O)Nc1ccc(-c2noc([C@@H]3CCCN3Cc3ccc(F)cc3)n2)cn1 35425649 MHRJEMWYQXFRCS-KRWDZBQOSA-N 411.437 3.193 0 40 HGAB biogenic,in-vitro COc1ccc2c(c1)CC[C@H]([C@@]1(O)C(=O)Nc3ccc(Br)cc31)C2=O 408569729 XGBICLBBSXZZKA-LIRRHRJNSA-N 402.244 3.043 0 40 HGAB O=C(Cn1cccc2c(=O)n(Cc3cccs3)c(=O)nc1-2)c1ccc(Cl)cc1 32616600 LPFCMWQVNNSMFG-UHFFFAOYSA-N 411.870 3.156 0 40 HGAB COc1ccccc1CCC1CCN(C(=O)C[C@@]2(C)C(=O)N=C3C=CC=CN32)CC1 35316973 STKNWFUCUWTDTN-DEOSSOPVSA-N 407.514 3.339 0 40 HGAB O=S(=O)(c1ccc(F)cc1)N1CCC[C@@H]1c1ccnc(Nc2nccs2)n1 72377728 HQGJVFNBKSFWBQ-OAHLLOKOSA-N 405.480 3.342 0 40 HGAB CCOc1cccc(CN(C)C(=O)c2cccc(N3CCCCS3(=O)=O)c2)c1 224513707 RBIFAPDNQKWGNL-UHFFFAOYSA-N 402.516 3.288 0 40 HGAB COC(=O)CSc1nnc(NC(=O)COc2cc(C)c(Cl)c(C)c2)s1 222903541 PIWURQBKCCKOJM-UHFFFAOYSA-N 401.897 3.091 0 40 HGAB Cc1ccc(C(=O)NCCCN2C[C@@H](C)C[C@@H](C)C2)cc1N1CCCCS1(=O)=O 224400370 BUUPZTQAUZDDOH-HDICACEKSA-N 421.607 3.023 0 40 HGAB CCCn1c(=O)sc2cc(S(=O)(=O)Nc3cccc(C(=O)OCC)c3)ccc21 225728200 NUVHJPIMPCDOTL-UHFFFAOYSA-N 420.512 3.451 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC3(CC2)CC(=O)c2ccc(C)cc2O3)cc1 225816794 PFYLKTCRNUYHBP-UHFFFAOYSA-N 401.484 3.192 0 40 HGAB CSc1ccc(S(=O)(=O)N(C)CC(=O)N(C)Cc2ccc(Cl)cc2)cc1 223318500 OBLAEMUBCMGHNO-UHFFFAOYSA-N 412.964 3.341 0 40 HGAB CC(C)C(NS(=O)(=O)c1nnc(NC(=O)c2ccccc2Cl)s1)C(C)C 223194151 JHEXBUCDOOCHCI-UHFFFAOYSA-N 416.956 3.403 0 40 HGAB CC[C@@H](C(=O)NCCOc1ccc(C)c(C)c1)N(c1ccc(C)cc1)S(C)(=O)=O 224305096 JRRQETIZQQPWIM-NRFANRHFSA-N 418.559 3.352 0 40 HGAB Cc1ccc(CN(C)S(=O)(=O)c2nnc(NC(=O)c3ccccc3C)s2)cc1 225400998 FTSWCLOBVBOERS-UHFFFAOYSA-N 416.528 3.228 0 40 HGAB CCn1c(CCCC(=O)N[C@@H]2CCC[C@@H](n3ccnc3C)[C@@H]2O)nc2ccccc21 257256179 KKJQINSNVKMQBC-KKLQWCBXSA-N 409.534 3.155 0 40 HGAB Cc1nc(C(=O)N2CCC3(CC2)CO[C@@H]([C@@]2(C)CC[C@H](O)C(C)(C)O2)C3)c(C)s1 257209051 BOTLNOCFCNKBOA-CSODHUTKSA-N 422.591 3.480 0 40 HGAB CCCN1CCN(Cc2cc[nH]n2)C[C@@H](Cc2ccccc2-c2cccnc2)C1=O 257226261 FJWUYEPGLCWTBR-OAQYLSRUSA-N 403.530 3.385 0 40 HGAB CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N[C@H](C)c1ccccc1OC 260841332 NVTJHYMQPRLEEI-DNVCBOLYSA-N 420.531 3.126 0 40 HGAB COc1ccc(S(=O)(=O)Nc2cccc(C(=O)N[C@H]3C[C@H]4CC[C@H]3C4)c2)cc1 260572763 UBSJMQGBAHJMOV-AVYPCKFXSA-N 400.500 3.414 0 40 HGAB C[C@@]1(N(CCNCc2cccc(F)c2)Cc2cccc(F)c2)CCS(=O)(=O)C1 575421176 NGUKZTMSSZSAEJ-OAQYLSRUSA-N 408.514 3.134 0 40 HGAB Cc1cccnc1Nc1nccnc1[C@@H]1CCCN1C(=O)/C=C/c1c(C)nn(C)c1C 585292679 QOAJWKXCWHUYAO-YXBWYFRISA-N 417.517 3.651 0 40 HGAB COc1ccc(-c2cc(CNC(=O)c3cc4ccccc4oc3=O)no2)cc1OC 12639153 ISURGNDADASELW-UHFFFAOYSA-N 406.394 3.395 0 40 HGAB Cc1cc(C)cc(NC(=O)Cn2nc(C)c(S(=O)(=O)N3CCC(C)CC3)c2C)c1 12794102 KOVFPRYCFMVQFU-UHFFFAOYSA-N 418.563 3.176 0 40 HGAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)cc1 15568641 MHEYCAWDAQGYBJ-NSHDSACASA-N 402.394 3.020 0 40 HGAB CCCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)C(C)C)cc2Cl)CC1 17088739 DYKNIKAKAQWUAH-UHFFFAOYSA-N 410.971 3.258 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)NCCc1ccc(Cl)cc1 17297475 ACICNQANCYBICD-UHFFFAOYSA-N 406.935 3.405 0 40 HGAB CCOc1ccc(NC(=O)[C@@H](CC(C)C)N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1OC 18833356 UDXLSOKDQGPVSA-OKZBNKHCSA-N 414.502 3.398 0 40 HGAB C[C@@H](C(=O)N1CCC[C@H](c2nc(-c3cccnc3)no2)C1)n1cnc2ccccc21 19078450 TUZFPDAVGVNNJF-RDJZCZTQSA-N 402.458 3.449 0 40 HGAB Cc1cc2nc([C@@H]3CCCN3C(=O)[C@@H]3C[C@@H](O)CN3Cc3ccccc3)[nH]c2cc1C 19125304 UBBCHHRFFWUMLM-OIBXWCBGSA-N 418.541 3.479 0 40 HGAB O=C(N[C@H]1CCCOC1)[C@@H]1CN(Cc2ccccc2)C[C@H]1C(=O)c1ccc(F)cc1 19372525 JKWUOYGZXWWJRX-BHDDXSALSA-N 410.489 3.052 0 40 HGAB CC(C)NC(=O)[C@]1(Cc2cccc(-c3ccncc3)c2)CCN(C(=O)[C@H]2CCCO2)C1 19449189 JHXALNKORUGAPV-RDGATRHJSA-N 421.541 3.213 0 40 HGAB COc1ccccc1-c1cc(NC(=O)Cn2c(=O)cc(C)c3ccccc32)n(C)n1 19566526 ZTIKBMMBVPUKPT-UHFFFAOYSA-N 402.454 3.358 0 40 HGAB Cc1nn(C(F)F)cc1S(=O)(=O)Nc1ccccc1OC[C@H]1CCCCO1 19583411 VWBRGSKLSBHMEA-CYBMUJFWSA-N 401.435 3.335 0 40 HGAB Cc1nc2ccccn2c1CC(=O)N1CCC(c2ccc3c(C)nn(C)c3n2)CC1 19744799 LMHAPWHOSSQNGE-UHFFFAOYSA-N 402.502 3.182 0 40 HGAB Cc1cc2cc([C@H](c3nnnn3C3CCCCC3)N3CCOCC3)c(=O)[nH]c2cc1C 19940770 XGQKUHPNVOEEJF-OAQYLSRUSA-N 422.533 3.058 0 40 HGAB COc1ccc([C@@]2(O)CC[C@@H]3CN(C(=O)c4cc(-c5ccccc5)n[nH]4)C[C@@H]32)cc1 12087674 QNHLLLSVKORYJC-YQOVMPOYSA-N 403.482 3.455 0 40 HGAB COc1ccc(Cl)c2sc(N3CCN(c4ccc5nccn5n4)CC3)nc12 1888940406 ATNKVZDTCHCQOB-UHFFFAOYSA-N 400.895 3.328 0 40 HGAB CN(CC1CCN(C(=O)NC2CCOCC2)CC1)c1cc(C(F)(F)F)ccn1 1889134482 VKNNTPGKLOBBQD-UHFFFAOYSA-N 400.445 3.137 0 40 HGAB CCN1CCN(C(=O)c2cnc[nH]2)C[C@@H](Cc2ccc(-c3ccccc3F)cc2)C1=O 1848354129 LSRWPPRHPPNTFI-LJQANCHMSA-N 420.488 3.379 0 40 HGAB Cc1ccc(Cn2c(=O)c3c(nc4n(C5CCCC5)c(C)c(C)n34)n(C)c2=O)cc1 4945216 SXRAFQPRQQLFNJ-UHFFFAOYSA-N 405.502 3.238 0 40 HGAB O=c1c2ncccc2n(Cc2ccc(Cl)cc2Cl)c(=O)n1Cc1cccnc1 9001465 AGQBDMVZSDAHNM-UHFFFAOYSA-N 413.264 3.357 0 40 HGAB Cc1cccc(NC(=O)C(=O)NC[C@@H](c2cccnc2)N2CCc3ccccc3C2)c1 15882584 UCNQYPNMHCMEPQ-QHCPKHFHSA-N 414.509 3.244 0 40 HGAB CC(=O)Nc1nnc(SCc2cc(=O)c(OC(=O)c3ccccc3C)co2)s1 16047713 LJCGVZPCSKYNFJ-UHFFFAOYSA-N 417.468 3.270 0 40 HGAB CCn1c(C)cc(O)c([C@@H](c2ccncc2)N2CCN(c3ccc(F)cc3)CC2)c1=O 22697523 AOMNRYCKUKOPOB-HSZRJFAPSA-N 422.504 3.328 0 40 HGAB COc1cccc(CSc2nc(CC(=O)Nc3cccc(C(C)=O)c3)cc(=O)[nH]2)c1 23138181 OWHVNQGERXBIJE-UHFFFAOYSA-N 423.494 3.455 0 40 HGAB COc1ccc(C2=NO[C@@H]3[C@H]4C[C@H]([C@@H]23)[C@H]2C(=O)N(c3c(C)cccc3C)C(=O)[C@@H]42)cc1 100204597 DEBBZXPRNSMGBS-RXZDQTCVSA-N 416.477 3.487 0 40 HGAB O=C(CCc1ccc(Cl)c(C(F)(F)F)c1)NCCCc1cnc2ncnn2c1 225643746 NURUZAFIKJPSFD-UHFFFAOYSA-N 411.815 3.478 0 40 HGAB Cc1ccccc1-n1cc(C(=O)N2CCC(NC(=O)CC3CCCCC3)CC2)nn1 49405881 AAEAZJPXUSUTSD-UHFFFAOYSA-N 409.534 3.267 0 40 HGAB CC(C)(C)c1ccc(-n2c(=O)[nH]c3c(C(N)=O)nc(-c4ccc(F)cc4)nc32)cc1 5143479 DLGHIPWVFDGQKO-UHFFFAOYSA-N 405.433 3.311 0 40 HGAB COc1ccc(NS(C)(=O)=O)c(NC(=O)c2nc(-c3ccco3)sc2C)c1 40146189 KWLYCOFOKZCAMC-UHFFFAOYSA-N 407.473 3.344 0 40 HGAB C[C@H](Cc1ccccc1Cl)NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 40112127 LYZSCPJVUFDPIW-MRXNPFEDSA-N 420.962 3.488 0 40 HGAB CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(F)c(NC(=O)C2CC2)c1 31141527 PBQDQIOPPYLKQY-NRFANRHFSA-N 422.460 3.341 0 40 HGAB COc1ccc(NC(=O)Cn2c(=O)n(CC(C)C)c(=O)c3ccccc32)cc1Cl 40478581 VOLPVPCVSBQQLB-UHFFFAOYSA-N 415.877 3.120 0 40 HGAB Cc1ccc(S(=O)(=O)CCc2nnc(NC(=O)CCc3ccccc3)s2)cc1 1340294 OHHXRRYMBUZERK-UHFFFAOYSA-N 415.540 3.434 0 40 HGAB CC(C)(C)OC(=O)[C@@H]1C(=O)C[C@@](C)(O)[C@H](C(=O)OC(C)(C)C)[C@H]1c1ccc(O)cc1 2336737 IAIPIVRRJFSQNH-DDOIHHOZSA-N 420.502 3.115 0 40 HGAB COc1ccc(OC)c(/C=C/C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)c1 3549807 AILFDXQQEWPRLO-RUDMXATFSA-N 418.496 3.369 0 40 HGAB CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(NC(=O)Cc3ccccc3)C(=O)[C@H]12 3669296 WYLLJUJZUTXHPC-ZCOIRKDISA-N 422.484 3.327 0 40 HGAB O=c1[nH]c2cc3c(cc2cc1CNC1CCN(Cc2ccccc2)CC1)OCCO3 4132802 CBJBQUFBOTXHPI-UHFFFAOYSA-N 405.498 3.054 0 40 HGAB CSc1cccc(NC(=O)CCCc2nnc3n(C)c(=O)c4sccc4n23)c1 4315772 JXYKGQOLPDLPMC-UHFFFAOYSA-N 413.528 3.326 0 40 HGAB C[C@H](OC(=O)c1ccc(C(=O)c2ccccc2)cc1)C(=O)Nc1ccc(C(N)=O)cc1 4350939 WESIZAWJRWTFIB-HNNXBMFYSA-N 416.433 3.201 0 40 HGAB CC(C)n1c(C(=O)OCC(=O)NCc2ccc3c(c2)OCO3)cc2sccc21 4356021 QIUUCAWOLNCVPG-UHFFFAOYSA-N 400.456 3.486 0 40 HGAB CCOC(=O)C1CCN(C(=O)CCC(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)CC1 4696095 HCBAURWCWBZVNY-RNXZQOMOSA-N 418.578 3.289 0 40 HGAB COc1cc(C(=O)N2c3ncnn3[C@H](c3ccccc3)C[C@@H]2C)cc(OC)c1OC 4732656 FZKZGIHHMZRLGZ-YOEHRIQHSA-N 408.458 3.332 0 40 HGAB Cn1c(CC(=O)Nc2ccccc2)nnc1SCC(=O)N1CCCc2ccccc21 4814702 FHAIHPDOAIILIL-UHFFFAOYSA-N 421.526 3.068 0 40 HGAB O=C(NC1C[C@@H]2CCC[C@H](C1)N2S(=O)(=O)c1ccccc1F)c1ccc(F)cc1 4888401 BDDBUHTZEWEZOW-AYHJJNSGSA-N 420.481 3.469 0 40 HGAB CS(=O)(=O)N1CCCc2cc(NC(=O)c3cccc(Br)c3)ccc21 5375453 NJFSQYSPMHYKTC-UHFFFAOYSA-N 409.305 3.414 0 40 HGAB COc1ccc(Cl)cc1N1C[C@@H](C(=O)OCC(=O)Nc2ccc(C)cc2)CC1=O 7537119 AEFLQJBXPCDRHB-AWEZNQCLSA-N 416.861 3.192 0 40 HGAB CCN(CC)CCN(C(=O)c1ccco1)c1nc2c(S(C)(=O)=O)cccc2s1 7599619 YLBGYXGLHUSYPM-UHFFFAOYSA-N 421.544 3.281 0 40 HGAB O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 7651691 IMPORUYFYHNAON-UHFFFAOYSA-N 415.298 3.267 0 40 HGAB CSc1nc2nc(C)c(CCC(=O)O[C@H](C)C(=O)c3ccc(F)cc3)c(C)n2n1 7743844 DGZTXEJOCLNHEL-CYBMUJFWSA-N 416.478 3.349 0 40 HGAB Cc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3cccc(Cl)c3)CC2=O)c(C)c1 8039182 DIFGYWFLPKHKAU-HNNXBMFYSA-N 400.862 3.492 0 40 HGAB COc1ccc([C@H]2NC(=S)N[C@@](O)(C(F)(F)F)[C@H]2C(=O)c2cccs2)cc1 8385987 GSFXSFLLWNKGBG-IOASZLSFSA-N 416.446 3.026 0 40 HGAB O=C(COc1ccccc1F)OCc1cc(=O)n2nc(-c3cccs3)sc2n1 8605645 GBXOHUASILVULM-UHFFFAOYSA-N 417.443 3.141 0 40 HGAB O=C(CSc1nc(-c2cc(Br)ccc2O)n[nH]1)NC1CCCCC1 9226050 AAQPSZHRLODREE-UHFFFAOYSA-N 411.325 3.481 0 40 HGAB COC(=O)c1ccc(NC(=O)CSc2nnc(-c3c[nH]c4ccccc34)n2C)cc1 9382282 SMRGOHUFXILWNB-UHFFFAOYSA-N 421.482 3.481 0 40 HGAB COc1ccccc1NC1=NN=C(c2ccc(N(C)S(C)(=O)=O)cc2)CS1 9469466 JXDVFQHKMBZCLN-UHFFFAOYSA-N 404.517 3.010 0 40 HGAB Cn1cc(C(=O)Nc2ccccc2Cl)c2[nH]c(=O)n(-c3ccc(F)cc3)c(=O)c21 9659648 XZHCJGZMIWUEBK-UHFFFAOYSA-N 412.808 3.062 0 40 HGAB Cc1ccc(-n2ncc3c(=O)n(NC(=O)Cc4cccc5ccccc45)cnc32)cc1 10251645 NFVIKBFHAHGBEE-UHFFFAOYSA-N 409.449 3.357 0 40 HGAB Cc1ccc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)Nc2ccccc2)cc1Cl 10384344 FRPYRFNLJIWXSH-KRWDZBQOSA-N 400.866 3.010 0 40 HGAB CC(=O)c1ccc(N2CCN(C(=O)c3ccc(NC(=O)C4CC4)cc3)CC2)c(F)c1 11006551 NGDBTMHRROEVEC-UHFFFAOYSA-N 409.461 3.339 0 40 HGAB CCCc1cc(O)nc(SCCS(=O)(=O)c2ccc(Br)cc2)n1 11220330 OYNCMQVRFBBPFM-UHFFFAOYSA-N 417.350 3.463 0 40 HGAB O=C(Cn1cnc2sccc2c1=O)N1N=C(c2cccs2)C[C@@H]1c1ccco1 11505564 FMHBGUPRMIZSES-CQSZACIVSA-N 410.480 3.490 0 40 HGAB C[C@@H](NC(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1)c1ccccc1 11763273 RJKVIIDTBAEERV-CYBMUJFWSA-N 418.423 3.237 0 40 HGAB CC(=O)N1c2ccc([C@@H](O)CN3CCC(O)(c4ccccc4C)CC3)cc2C[C@@H]1C 12146838 KLVMYAZBIBJBJQ-UUOWRZLLSA-N 408.542 3.310 0 40 HGAB COc1ccc(C)c2sc(N(CCCN(C)C)C(=O)c3cc(C)n(C)n3)nc12 12229272 GQAKSTQUDIFSMQ-UHFFFAOYSA-N 401.536 3.254 0 40 HGAB COc1ccc(CC(=O)N2CCC(c3nc4ccc(F)cc4cc3C(N)=O)CC2)cc1 12254468 JCQCYWHRTBNOJN-UHFFFAOYSA-N 421.472 3.430 0 40 HGAB COc1cc(NC(=O)Cn2cnc3c(sc4nc(C)cc(C)c43)c2=O)cc(OC)c1 12414942 KIAZTDHLZBAJEI-UHFFFAOYSA-N 424.482 3.279 0 40 HGAB Cc1cc(NC(=O)c2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)n(C)n1 12443973 NGMXNDMDVXJPCZ-UHFFFAOYSA-N 410.499 3.122 0 40 HGAB Cc1cccc(-n2c(SC[C@@H]3COc4ccccc4O3)nnc2N2CCOCC2)c1 12554110 BAPQVDUFIZPXPC-SFHVURJKSA-N 424.526 3.344 0 40 HGAB O=C(COC(=O)CCCNC(=O)c1ccc(Cl)cc1)NCc1cccc(Cl)c1 12931792 QUOIQRKEHATODF-UHFFFAOYSA-N 423.296 3.363 0 40 HGAB CC[C@H]1CCCCN1S(=O)(=O)c1ccc(-n2ncc(Cl)c(Cl)c2=O)cc1 12971431 RIBPUAPBKLNVBT-LBPRGKRZSA-N 416.330 3.493 0 40 HGAB CCN(CC(=O)Nc1cc(Cl)c(OC)cc1OC)C[C@@H]1COc2ccccc2O1 12996269 WCEODEPYWZMYSY-CQSZACIVSA-N 420.893 3.458 0 40 HGAB COc1ccc(CN(C)CCS(=O)(=O)c2ccc(Cl)cc2)c(OC)c1OC 13072767 MUMWXIGGYNDJMC-UHFFFAOYSA-N 413.923 3.272 0 40 HGAB Cc1ccc(C)c(N(CC(=O)NCCSCc2ccccc2F)S(C)(=O)=O)c1 13671301 BFHAMQBWDXRHCR-UHFFFAOYSA-N 424.563 3.258 0 40 HGAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCCCN3CCCCC3)c2)cc1 13674708 ICDOBGQJXJCMHG-UHFFFAOYSA-N 415.559 3.402 0 40 HGAB CNC(=S)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccc(OC)c(OC)c1 13721608 MHROUWRUXFIQBB-FQEVSTJZSA-N 402.516 3.173 0 40 HGAB biogenic Cc1nn(-c2ccc(F)cc2)c2nc3c(cc12)CN(C[C@H]1COC(C)(C)O1)C(=O)O3 13993036 JSLTZHJZOFISPH-INIZCTEOSA-N 412.421 3.334 0 40 HGAB COc1cc(Br)c(CNC[C@H]2CN(Cc3ccccc3)CCO2)cc1O 14157535 DLQWLZYFWFVULA-KRWDZBQOSA-N 421.335 3.154 0 40 HGAB Cc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)NCCN3CCOCC3)cc12 14181731 ZMJYKOUUMPMUMT-UHFFFAOYSA-N 418.950 3.170 0 40 HGAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)N(C)Cc2ccccc2)cc1Cl 16692395 ULDBUZVISLVEQW-UHFFFAOYSA-N 410.923 3.018 0 40 HGAB COc1ccccc1[C@H](C)NC(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 16962850 SRHRXQCTEJCUIE-KRWDZBQOSA-N 416.543 3.290 0 40 HGAB O=C(CN1CCN(C(=O)Cc2ccccc2F)CC1)Nc1ccccc1C(F)(F)F 18125455 HUNKTTKYGBXWFP-UHFFFAOYSA-N 423.410 3.170 0 40 HGAB O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(Cl)c(F)c1)N1CCCN1[C@H]2c1ccc(F)cc1 19169731 WNFVFUSZNAITIF-BZSNNMDCSA-N 403.816 3.154 0 40 HGAB Cc1nc([C@H](Cc2c[nH]c3ccccc23)NC(=O)c2cc(C(C)C)no2)cc(=O)[nH]1 19285144 KCDWENOOFLCCOE-SFHVURJKSA-N 405.458 3.385 0 40 HGAB COc1ccc(C2(C(=O)N3CC(n4nc(-c5cccs5)ccc4=O)C3)CC2)cc1 19553613 OUHJINBJQMRTEA-UHFFFAOYSA-N 407.495 3.096 0 40 HGAB COc1ccc([C@@H]2c3nc[nH]c3CCN2C(=O)[C@H]2COc3c(cccc3OC)C2)cc1 19553987 CISXSQPTQPKMJL-VGOFRKELSA-N 419.481 3.152 0 40 HGAB Cc1c(C)n(C)c2ccc(C(=O)N3CCO[C@@H](c4nc(-c5ccccn5)no4)C3)cc12 19554607 JPYHQFQPHZABGY-HXUWFJFHSA-N 417.469 3.454 0 40 HGAB CNC(=O)[C@]1(Cc2ccccc2-c2ccccc2)CCN(C(=O)Cc2cccnc2)C1 19591531 CYRPSFPQQSSNHD-SANMLTNESA-N 413.521 3.499 0 40 HGAB CN(C)c1ncc(-c2ccc(F)cc2)c([C@@H]2CCCCN2C(=O)c2cnn(C)c2)n1 19694641 YBEUZUQHCMGNIH-IBGZPJMESA-N 408.481 3.450 0 40 HGAB C[C@@H](CN(C)C(=O)c1ccc(=O)n(CC(=O)NC2CCCCC2)c1)c1ccccc1 19749215 VHXVYQXVAAKSES-SFHVURJKSA-N 409.530 3.173 0 40 HGAB CC(C)(C)NC(=O)c1ccccc1NC(=O)c1ccc(NS(C)(=O)=O)cc1Cl 20106667 RDIYUCMHZUYYGY-UHFFFAOYSA-N 423.922 3.492 0 40 HGAB Cc1ccc(N(C)S(=O)(=O)c2nnc(NC(=O)/C=C/c3ccccc3)s2)cc1 20486756 YUQDPRASWJBEGC-JLHYYAGUSA-N 414.512 3.324 0 40 HGAB Cn1c(SCC(=O)NC2CCCCCC2)nnc1[C@H]1COc2ccccc2O1 21138056 PCXKKMREKNORSN-QGZVFWFLSA-N 402.520 3.259 0 40 HGAB CCn1cc(C(=O)Nc2cc(OC)c(OC)cc2C(=O)OC)c(=O)c2ccccc21 22234498 XLGOETWHDFITDI-UHFFFAOYSA-N 410.426 3.078 0 40 HGAB COc1ccc(CN2CCN(C(=O)NCc3ccccc3OC(F)F)CC2)cc1F 22435864 NEWORKOJKFULAJ-UHFFFAOYSA-N 423.435 3.463 0 40 HGAB O=C(NCc1ccc(CN2CCOCC2)cc1)c1ccccc1OC[C@H]1CCCO1 22872177 BHTJXZJMLFCOBM-OAQYLSRUSA-N 410.514 3.007 0 40 HGAB Cc1nc2sc([C@@H](c3ccco3)N3CCN(c4ccc(F)cc4)CC3)c(O)n2n1 23158146 DFWFTQWBUBMXID-QGZVFWFLSA-N 413.478 3.449 0 40 HGAB CCCn1nc(C(=O)NC[C@@H](c2cccs2)N2CCCC2)c2ccccc2c1=O 23554679 VJQBEARVPCWGRE-SFHVURJKSA-N 410.543 3.435 0 40 HGAB Cc1ccc([C@@H](OC[C@H](O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)c2ccccc2)cc1 24095459 PROMCBIJMAITKX-LUKWVAJMSA-N 405.494 3.413 0 40 HGAB COc1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccc(F)cc3)CC2)cc1 24610047 SYEFYYIUUAKXPU-UHFFFAOYSA-N 406.479 3.015 0 40 HGAB O=C(CCCCCNC1=NS(=O)(=O)c2ccccc21)NCCCc1ccccc1 28645117 KFNCGLMRYUXDSN-UHFFFAOYSA-N 413.543 3.035 0 40 HGAB Cc1cc(F)ccc1S(=O)(=O)Nc1ccccc1C(=O)/N=c1/sccn1C 29650168 MXNCIXVWKXVADL-CZIZESTLSA-N 405.476 3.076 0 40 HGAB Cc1cccnc1NC(=O)c1cccc(S(=O)(=O)N2CCc3sccc3C2)c1 30557271 AGQLSNVULMCEIF-UHFFFAOYSA-N 413.524 3.451 0 40 HGAB Cc1nn(COc2ccc(F)cc2F)c(C)c1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)O 32610394 VXORVLAZXAUUGN-GJZGRUSLSA-N 405.401 3.420 0 40 HGAB Cc1cc(C)c(NC(=O)CNC(=O)[C@@H]2CCCCN2C(=O)c2cccs2)c(C)c1 32908314 ISNMDIHVHOQVNT-KRWDZBQOSA-N 413.543 3.423 0 40 HGAB CCCc1nnc(S)n1CC(=O)NCc1ccc(CN2CCc3ccccc32)cc1 32914593 AMVBELILIXWNKO-UHFFFAOYSA-N 421.570 3.398 0 40 HGAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cccn3-c3ccc(C)cc3)C2=O)o1 33726491 CCHIMYOMJNDIMR-PDGQHHTCSA-N 405.410 3.258 0 40 HGAB CCOC(=O)c1sc2nc([C@@H](C)NCc3ccc4c(c3)OCO4)[nH]c(=O)c2c1C 34866244 NNHRUDJXYMAGOO-LLVKDONJSA-N 415.471 3.049 0 40 HGAB CC(=O)Nc1ccc2c(c1)nc(-c1c(O)c(C(=O)N3CCCCCC3)cn1C)n2C 36370089 FWDIWEZLRCOIBM-UHFFFAOYSA-N 409.490 3.259 0 40 HGAB biogenic O=C(Nc1nc(CC(=O)N2CCC(Cc3ccccc3)CC2)cs1)c1cnccn1 38740148 POQGNWJUACBTLE-UHFFFAOYSA-N 421.526 3.209 0 40 HGAB NC(=O)CCc1nnc(SCc2ccc(Br)cc2)n1Cc1ccco1 40039748 NSXRGDKEULGNIL-UHFFFAOYSA-N 421.320 3.392 0 40 HGAB COC[C@@H](C)n1c(S[C@H](C)c2nnnn2-c2ccccc2)nc2ccccc2c1=O 40127257 CMDUUTFLHTZKSB-HUUCEWRRSA-N 422.514 3.433 0 40 HGAB COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)[C@H](C)Oc1ccccc1C 44900928 GTBLJLXQQMTVMA-HNNXBMFYSA-N 406.504 3.096 0 40 HGAB C[C@@H]1C[C@@H](C)CN(Cc2ccc(CNC(=O)C3CCN(C(=O)C4CC4)CC3)cc2)C1 48310748 ORQHBCOWTMCPRX-RTBURBONSA-N 411.590 3.429 0 40 HGAB O=C(NCCc1ccc(OC(F)F)cc1)[C@H]1CCCN1C(=O)Cc1cccs1 55131913 YGIPDTOIXGAOIL-QGZVFWFLSA-N 408.470 3.242 0 40 HGAB O=C1CCc2cc(S(=O)(=O)N3CCC[C@@H]3Cc3ccc(F)cc3)c(F)cc2N1 55298790 OWSRKBSRTATSHV-MRXNPFEDSA-N 406.454 3.245 0 40 HGAB CCOC(=O)C1=C(CN(C)Cc2ccccc2)NC(=O)N[C@@H]1c1ccccc1OCC 57415801 JGENPMUCKBFAIP-JOCHJYFZSA-N 423.513 3.388 0 40 HGAB CCCCN(CC)C(=O)Cn1c(=O)n(-c2cc(C)cc(C)c2)c(=O)c2sccc21 57492132 YVQNPEXBDLJTFP-UHFFFAOYSA-N 413.543 3.479 0 40 HGAB COC(=O)c1ccc(/N=c2\oc3cc(O)ccc3cc2C(=O)NC[C@H]2CCCO2)cc1 67298575 OXJSPOHSQSDZPP-UEAMBXKFSA-N 422.437 3.066 0 40 HGAB CCc1ccccc1NC(=O)Cn1c(-c2cccc(F)c2)nc(C)c(CCO)c1=O 67316715 SDNWSEOYRMGHIS-UHFFFAOYSA-N 409.461 3.094 0 40 HGAB O=C(CCc1ccc(F)cc1)N1CCC[C@H](c2ccnc(Nc3ncccn3)n2)C1 72378100 LDLINGLFZBNJKU-KRWDZBQOSA-N 406.465 3.488 0 40 HGAB Cc1cc(=O)c(OCc2ccccc2)cn1CC(=O)N1CCO[C@H](c2ccccc2)C1 72404209 KFTLUHCBJHNDMP-QHCPKHFHSA-N 418.493 3.336 0 40 HGAB O=C1CN(C(=O)COC(=O)c2ccccc2C(=O)c2ccccc2)c2ccccc2N1 89823124 LPIVEKICFVJECP-UHFFFAOYSA-N 414.417 3.060 0 40 HGAB C[C@H](NCCCOCc1ccco1)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 96013613 NOUXIHQKFFJZKE-RXVVDRJESA-N 402.491 3.202 0 40 HGAB COc1ccc(-c2ncnc3c2c(C(=O)N2CC[C@@H](N(C)C)C2)c2ccccn23)cc1 96146690 NUARHEZTOSVPNR-QGZVFWFLSA-N 415.497 3.334 0 40 HGAB CSCC[C@@H]1C[C@@H](C(=O)Nc2ccc(F)cc2)[C@@]2(N1)C(=O)N(C)c1ccccc12 106808000 APWAKIVXOCBAOL-TVTNDZMWSA-N 413.518 3.367 0 40 HGAB COc1ccc(OC)c(NC(=O)c2ccccc2N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)c1 207516742 NHIKPVRIEWBGAW-FJAKRLOMSA-N 420.465 3.492 0 40 HGAB CC[C@@H](NC(=O)CCCN1C(=O)c2ccccc2S1(=O)=O)c1ccc(C)cc1C 219448301 UBWPAUNVXLYWFH-LJQANCHMSA-N 414.527 3.496 0 40 HGAB CC(C)CSc1nnc(NC(=O)[C@@H](C)N(c2ccccc2)S(C)(=O)=O)s1 223308042 LGBZYGLCSZIQOO-GFCCVEGCSA-N 414.578 3.079 0 40 HGAB Cc1cc(N(CC(=O)NCC2=CCCCC2)S(C)(=O)=O)ccc1Br 223867873 RMMZINSDMUPAJY-UHFFFAOYSA-N 415.353 3.140 0 40 HGAB CCCCOc1ccc(S(=O)(=O)NCc2nccc(N3CCCCC3)n2)cc1 224164940 OPOWIQUXROBVCT-UHFFFAOYSA-N 404.536 3.124 0 40 HGAB CCN(c1ccc(C(=O)Nc2nnc(SCC(C)C)s2)cc1)S(C)(=O)=O 225227880 YTHUSPOIFRHTGP-UHFFFAOYSA-N 414.578 3.324 0 40 HGAB CC(C)(C)C(=O)Nc1nnc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)s1 225278767 UXWVCWHEZJCJTM-UHFFFAOYSA-N 408.427 3.342 0 40 HGAB CCOC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)sc(=O)n3CC)cc1 225687256 LQTXUAPPSKZVSO-UHFFFAOYSA-N 406.485 3.060 0 40 HGAB CCS(=O)(=O)N(C)c1cccc(C(=O)N2CCc3cc(Br)ccc32)c1 225965374 DUIUOYGANPYXBI-UHFFFAOYSA-N 423.332 3.438 0 40 HGAB COc1ccc2c(c1)O[C@@]1(C[C@H]3CC[C@H]1C[C@H]3C(=O)NCc1cccs1)NC2=O 247968571 TWBQDQTVERPRNQ-BTNSONSNSA-N 412.511 3.328 0 40 HGAB Cc1ccsc1CN1CCc2nc([C@@H]3CCCN3C(=O)[C@H]3C[C@H]3C)nc(O)c2C1 253599079 KPUFZVQSVZKBBN-VKJFTORMSA-N 412.559 3.430 0 40 HGAB O=C(COc1ccc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc1)N1CCOCC1 409231814 MMNSUNNGKGPSPH-RGEXLXHISA-N 424.478 3.165 0 40 HGAB Cc1cc(N2CCN(C(=O)NC[C@H]3CCOc4ccccc43)CC2)nc(C(C)C)n1 517505676 CKEXCZFUWYMREG-GOSISDBHSA-N 409.534 3.306 0 40 HGAB CO[C@@]1(COc2ccccc2F)CCCN(CC(=O)NCc2ccccc2)CC1 585272067 FJUGKHQNJMPUAO-QHCPKHFHSA-N 400.494 3.392 0 40 HGAB COc1cc2cc(C)c3nnc(SCC(=O)Nc4cc(C)on4)n3c2cc1OC 877368 SPJGJBQHXBUXPC-UHFFFAOYSA-N 413.459 3.235 0 40 HGAB O=C(CN(Cc1ccc(F)cc1)C(=O)Cn1nnc2ccccc21)NC1CCCCC1 922404 GMEHENCBBVUGDA-UHFFFAOYSA-N 423.492 3.048 0 40 HGAB COc1ccccc1-c1nnc(SCC(=O)Nc2ccc(Cl)cc2C)n1N 2265408 MHDHUKBIIURRRN-UHFFFAOYSA-N 403.895 3.360 0 40 HGAB CCN(c1ccccc1)S(=O)(=O)c1ccc(OCC(=O)Nc2cc(C)on2)cc1 2627942 UYBPAVPOYSPUPZ-UHFFFAOYSA-N 415.471 3.216 0 40 HGAB Cc1cc(Br)c(NC(=O)CSc2ncn[nH]2)c(Br)c1 2745899 KOYPRJADFIKZLC-UHFFFAOYSA-N 406.103 3.369 0 40 HGAB CN(C)Cc1ccccc1-c1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(C(=O)c2ccco2)C1 4237216 QRJNAJVMNHPQNL-PKOBYXMFSA-N 417.509 3.429 0 40 HGAB biogenic,in-vitro S=C(Nc1ccc(Cl)cc1)N[C@H]1CO[C@@H]2[C@H](OCc3ccccc3)CO[C@H]12 4260458 VEUCMKWRHQRYRZ-WJFTUGDTSA-N 404.919 3.378 0 40 HGAB biogenic,in-vitro Cc1cccc(NC(=O)CSc2nc(=O)n(Cc3ccncc3)c3c2CCC3)c1 4330058 IBBMVHYQJPWOMH-UHFFFAOYSA-N 406.511 3.215 0 40 HGAB CCOC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C 4905219 VUKOENYOYRYAMX-ROUUACIJSA-N 406.523 3.216 0 40 HGAB CCOc1cc(CNC(=O)N[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)ccc1OC 5188643 POKWMQOEJICINZ-GOSISDBHSA-N 411.502 3.315 0 40 HGAB O=C(CCCn1cnc2ccccc2c1=O)N1CCN(c2cccc(Cl)c2)CC1 5245562 IWQDIVSATFRIRD-UHFFFAOYSA-N 410.905 3.179 0 40 HGAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)OC(=O)c1ccccc1NS(C)(=O)=O 5574722 NAOVLHJKEQBILW-ZDUSSCGKSA-N 400.456 3.276 0 40 HGAB CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)O 5706799 JSYRZPPVWOULMZ-PMACEKPBSA-N 412.486 3.284 0 40 HGAB CC(=O)Nc1ccc(S(=O)(=O)Nc2sc(-c3ccccc3)cc2C(N)=O)cc1 6623408 WIJLEEMZNVOTRF-UHFFFAOYSA-N 415.496 3.273 0 40 HGAB Cc1c(O[C@H](C)C(=O)NC[C@@H](O)c2ccccc2)ccc2c3c(c(=O)oc12)CCC3 6658909 LNXDCMZZQZKINP-FOIQADDNSA-N 407.466 3.207 0 40 HGAB CC[C@@H](C)NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(OC)c(C)c1 6678212 MCGWCWVKHNMTMC-QGZVFWFLSA-N 404.532 3.109 0 40 HGAB C[C@H]1CCCN(S(=O)(=O)c2csc(C(=O)OCC(=O)c3ccccc3)c2)C1 6680869 CSROJIUMIJLYFS-AWEZNQCLSA-N 407.513 3.208 0 40 HGAB CCOc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccc(C)cc3C)CC2=O)cc1 6962969 UTVBDWRGNIRGAD-QGZVFWFLSA-N 410.470 3.237 0 40 HGAB Oc1ccc(-n2nnnc2SCc2cc3c(cc2Br)OCO3)cc1 7293816 VVDIJWSGEHNPCL-UHFFFAOYSA-N 407.249 3.151 0 40 HGAB O=C(Cn1nnc(-c2ccc(Br)cc2)n1)N1CC[C@H]2CCCC[C@H]2C1 7337137 WONAKPJRMKTXNM-HIFRSBDPSA-N 404.312 3.141 0 40 HGAB COC(=O)COc1ccccc1/C=C1/SC(=O)N(Cc2ccccc2C#N)C1=O 8092096 QSZQZKDMUITGKL-VCHYOVAHSA-N 408.435 3.347 0 40 HGAB CCN(CC)CCCn1c(S[C@H](C)C(=O)NC(C)C)nc2ccccc2c1=O 8247135 KELXTSJOFIXTRQ-MRXNPFEDSA-N 404.580 3.134 0 40 HGAB COC(=O)Cn1c(SCc2ccc(-n3cccn3)cc2)nc2ccccc2c1=O 8251696 JRFVNUWVGKZQNY-UHFFFAOYSA-N 406.467 3.048 0 40 HGAB CC1=C(C(=O)N2CCOCC2)[C@H](c2ccccc2F)NC(=O)N1Cc1ccccc1 8263831 RJNSJQSPZMJPBJ-NRFANRHFSA-N 409.461 3.225 0 40 HGAB COc1ccc([C@H]2CCCCCN2C(=O)CCN2C(=O)NC3(CCCC3)C2=O)cc1 8341007 GPLPTLDTOLYCOC-LJQANCHMSA-N 413.518 3.394 0 40 HGAB NC(=O)c1c(NC(=O)COC(=O)C2(c3ccccc3)CCC2)sc2c1CCCC2 8545531 UEASKPKDABDCHC-UHFFFAOYSA-N 412.511 3.329 0 40 HGAB COc1ccc(C)cc1NC(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1 8709244 DYKLCFKOXWQLPQ-HZPDHXFCSA-N 418.515 3.054 0 40 HGAB CCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCC(C)(C)C(=O)N3C)cc1 9165641 MOSAWPXLQJRDAD-UHFFFAOYSA-N 404.488 3.268 0 40 HGAB O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1c[nH]c(=O)n(-c2ccc(F)cc2)c1=O 9404001 ZMQKFENPRIQNEL-UHFFFAOYSA-N 411.286 3.075 0 40 HGAB Cc1oc(-c2ccccc2)nc1C(=O)Nc1nc2ccc(S(N)(=O)=O)cc2s1 9516837 GGWPUFROYPWRAS-UHFFFAOYSA-N 414.468 3.159 0 40 HGAB O=C(NCCCN1CCCC1)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1 10112489 HNAFPJTUHQUKJS-UHFFFAOYSA-N 421.950 3.357 0 40 HGAB COc1ccc(NC(=O)[C@@H](C)N(c2cc(C)ccc2C)S(C)(=O)=O)c(OC)c1 10313781 KMXVKWMCSATVHW-OAHLLOKOSA-N 406.504 3.114 0 40 HGAB COc1ccc(-c2cc(C(=O)Nc3ccccc3)nn2[C@H]2CCS(=O)(=O)C2)cc1 11996835 FXVLQPXRFWLELC-KRWDZBQOSA-N 411.483 3.171 0 40 HGAB COC(=O)C1=C(C)N(C2CCCC2)C(=O)[C@]1(NC(=O)C1CCCCC1)C(F)(F)F 12402654 RULMPIUGBZYMQE-IBGZPJMESA-N 416.440 3.216 0 40 HGAB COc1cc2c(cc1OC)CN(C[C@H](O)COc1cccc(Br)c1)CC2 12904130 PZGSHTMOUJEEIE-KRWDZBQOSA-N 422.319 3.264 0 40 HGAB Cc1ccc(C)c(N([C@@H](C)C(=O)NCCSCc2ccco2)S(C)(=O)=O)c1 13682846 WITFWUXCEZPPRV-INIZCTEOSA-N 410.561 3.101 0 40 HGAB O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@@H]1Cc2cc(Cl)ccc2O1 14245016 RWPFVYZXNJFYKC-SFHVURJKSA-N 406.891 3.067 0 40 HGAB COc1ccc2cc(C(=O)NC[C@@H](c3ccc(F)cc3)N3CCOCC3)c(C)nc2c1 18047326 YASIBJLXMRFGHK-QHCPKHFHSA-N 423.488 3.494 0 40 HGAB C[C@H](C(=O)N1CCC[C@@H](c2nc(-c3cccnc3)no2)C1)n1cnc2ccccc21 19078446 TUZFPDAVGVNNJF-NVXWUHKLSA-N 402.458 3.449 0 40 HGAB Cc1ccc(C(=O)N2CCC[C@H]2c2nnc(-c3nccc4ccccc34)o2)c(=O)n1C 19131636 PJPSHRUXJTYFAS-SFHVURJKSA-N 415.453 3.269 0 40 HGAB Cc1cccc(N2C[C@H](c3cc(=O)[nH]c(N[C@@H](C)c4ccccn4)n3)CC2=O)c1C 19235567 VGYPDBKCIBRWRJ-DLBZAZTESA-N 403.486 3.475 0 40 HGAB O=C1c2cccc3cccc(c23)C(=O)N1c1ccc([C@@H](O)CN2CCOCC2)cc1 19418458 ZMVWVFJWADLCHC-NRFANRHFSA-N 402.450 3.006 0 40 HGAB COc1ccc(NC(=O)CN2CCC[C@H]2c2cc(-c3cnc(N)nc3)cc(C)n2)cc1 19690954 LFTKZJGGIDWQOK-NRFANRHFSA-N 418.501 3.213 0 40 HGAB CCC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(OC)c(C)c1 20009063 WAINHJOGCVZNPG-XLIONFOSSA-N 418.559 3.198 0 40 HGAB Cc1ccccc1[C@@H](NC(=O)CN1C(=O)c2ccccc2S1(=O)=O)c1ccccc1 20111950 YATIHNVMUYPTJV-QFIPXVFZSA-N 420.490 3.045 0 40 HGAB COc1ccc([C@@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCC3)c2)cc1 20490888 DCJYKHZOOBFQQW-MRXNPFEDSA-N 402.516 3.279 0 40 HGAB CCOC(=O)[C@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@H]1c1ccccc1C 20802297 OTUGDHOEYBEFJI-UXHICEINSA-N 407.470 3.106 0 40 HGAB O=C(Cn1cnc2scc(-c3cccs3)c2c1=O)OCc1nnsc1Cl 20986744 BBEXULNPXSZGAZ-UHFFFAOYSA-N 424.916 3.435 0 40 HGAB Cc1ccc(NS(=O)(=O)c2cc(NC(=O)C3=COCCO3)ccc2C)c(C)c1 21344503 CDWODQJRXWHNDP-UHFFFAOYSA-N 402.472 3.239 0 40 HGAB CCOC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(C[C@H](O)c2ccc(F)cc2)CC1 25225679 MSRZXJQDVOYUCA-SFTDATJTSA-N 420.912 3.435 0 40 HGAB O=C(Nc1ccccc1Br)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 28223450 YYLPXCNPYWKXHN-CQSZACIVSA-N 423.332 3.489 0 40 HGAB CCOc1ccccc1C(=O)NC[C@H](c1ccc(Cl)cc1)N1CCN(C)CC1 28287460 RDVSZDJWEQGXAO-HXUWFJFHSA-N 401.938 3.457 0 40 HGAB O=C(NCCOc1ccccc1F)[C@H]1CC(=O)N(c2ccccc2Br)C1 29979728 UOVQXXUHSMJESC-ZDUSSCGKSA-N 421.266 3.136 0 40 HGAB COc1cc(Br)c(OC)c(C(=O)NCc2cccc(NC(C)=O)c2)c1 32360444 SHODUQSJRGYHNY-UHFFFAOYSA-N 407.264 3.355 0 40 HGAB CC(=O)N[C@H](C)c1ccc(C(=O)CSc2ccc(C(=O)N3CCCC3)cn2)cc1 32789470 ZJCPXEPRDCSGAO-OAHLLOKOSA-N 411.527 3.490 0 40 HGAB Cc1ccccc1-c1noc(CSc2nc3cc4c(cc3c(=O)n2C)OCO4)n1 33279698 JRKFHDGXBIROQP-UHFFFAOYSA-N 408.439 3.313 0 40 HGAB COc1ccc(OC)c(NC(=O)CN2CCC(n3cnc4cc(F)ccc43)CC2)c1 35314256 CKWUEGBMJVKBFK-UHFFFAOYSA-N 412.465 3.468 0 40 HGAB COc1cc(CNC(=O)C[C@H](NC(N)=O)c2cccc(C)c2)ccc1OC(F)F 40069381 RGTLOULQLDUTDR-HNNXBMFYSA-N 407.417 3.021 0 40 HGAB CC(=O)c1ccccc1NC(=O)COC(=O)c1cnn(-c2ccccn2)c1C(C)C 40072813 LNYOZRBSGKQFGT-UHFFFAOYSA-N 406.442 3.389 0 40 HGAB CCN(CC)C(=O)N1CCC[C@H](C(=O)Nc2cc(Cl)ccc2N2CCOCC2)C1 40129259 GIQKFCPIOKLEHS-INIZCTEOSA-N 422.957 3.289 0 40 HGAB Cc1ccc(-c2nn(CN3CCC(C(=O)Nc4nncs4)CC3)c(=S)o2)cc1 40155506 WXOQSUXYTVMIGP-UHFFFAOYSA-N 416.532 3.341 0 40 HGAB COc1ccc(CN(c2ccc(F)cc2)S(=O)(=O)c2cccn3cnnc23)cc1 49404905 AFRBLTLBDSAHMB-UHFFFAOYSA-N 412.446 3.273 0 40 HGAB Cc1cnc2c(S(=O)(=O)NC3CCN(C(=O)OC(C)(C)C)CC3)cccc2c1 49983415 QTRJPUTUXFPOES-UHFFFAOYSA-N 405.520 3.221 0 40 HGAB COC(=O)[C@@H](NC(=O)Cc1ccc(OC)cc1OC)c1ccc(Br)cc1 58063215 AIHPRTBHHHWOIP-SFHVURJKSA-N 422.275 3.039 0 40 HGAB COc1ccc(NC(=O)NC[C@H]([C@H]2CCOC2)N2CCCC2)c(C(F)(F)F)c1 58268947 CHJKYUKYUUWCNN-SUMWQHHRSA-N 401.429 3.336 0 40 HGAB Cc1ccc2nc(NC(=O)[C@@H]3CCCN(c4ccc(-n5cccn5)nn4)C3)sc2c1 62022778 FDLRSZHUUUPKLB-OAHLLOKOSA-N 419.514 3.436 0 40 HGAB Cc1ccccc1-c1csc2c(=O)n(Cc3cc(=O)n4ccccc4n3)cnc12 67246000 WTEUCQXUSJRJSX-UHFFFAOYSA-N 400.463 3.490 0 40 HGAB CS(=O)(=O)c1ccc(-c2noc(C3(c4ccc(F)cc4)CCOCC3)n2)cc1 70015920 KOLXPYXAHFPMCW-UHFFFAOYSA-N 402.447 3.376 0 40 HGAB Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)[C@H](C)c2c(C)nn(C)c2C)cc1C 72096570 RNSWQQRGJQMWAX-RDTXWAMCSA-N 400.548 3.297 0 40 HGAB CCS(=O)(=O)N1CCCC[C@@H]1c1nnc(C2CCN(Cc3cccs3)CC2)o1 72344893 BHCQGSOXEBPDOD-QGZVFWFLSA-N 424.592 3.387 0 40 HGAB Cc1ccc(OCCNc2cc(-c3ccnc(N4CCOCC4)c3)nc(C)n2)cc1 72373254 OARPCMKPCSDNHW-UHFFFAOYSA-N 405.502 3.483 0 40 HGAB O=C(N[C@@H]1CCN(c2ccc(-c3ccccc3F)nn2)C1)c1ccc2c(c1)OCO2 90591827 MGOFVMDMSBIFTC-OAHLLOKOSA-N 406.417 3.020 0 40 HGAB Cc1csc(NC(=O)[C@@H]2CC(=O)N(c3n[nH]c4cc(Br)ccc34)C2)n1 95473018 MNXRQMHIIGCSHU-SECBINFHSA-N 420.292 3.082 0 40 HGAB CCN1CCn2c(-c3cnn(C)c3)cnc2C12CCN(Cc1ccc(F)cc1)CC2 96037019 WZXOBMCSDHBDCO-UHFFFAOYSA-N 408.525 3.250 0 40 HGAB O=C1[C@H]2ON(c3ccccc3)[C@H](c3ccc(O)cc3)[C@@H]2C(=O)N1Cc1ccccc1 97466280 POBYBTAFLPYBDN-BDTNDASRSA-N 400.434 3.439 0 40 HGAB COc1ccc(S(=O)(=O)N[C@H]2C[C@@H]3CC[C@@H]2C3)cc1C(=O)N1CCCCCC1 100444401 ABMUKSQNQMBGAN-MDZRGWNJSA-N 406.548 3.178 0 40 HGAB COCCn1/c(=N/C(=O)c2c(F)cccc2F)sc2cc(C(=O)OC)ccc21 100872439 KMAXZVDGXMTFOI-QOCHGBHMSA-N 406.410 3.155 0 40 HGAB CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NC[C@H]1CC[C@H](C(=O)O)CC1 101260659 NECSGQGRHZUDDS-KSZLIROESA-N 404.507 3.130 0 40 HGAB O=C(c1ccccc1)N1C[C@@H](CNCc2cc(F)cc3cccnc23)N2CC[C@H]1C2 108367024 UHSOGWXCDGWBTE-FCHUYYIVSA-N 404.489 3.062 0 40 HGAB C[C@@H](NC(=O)[C@@H](C)N(c1ccc(F)c(F)c1)S(C)(=O)=O)c1ccc(F)cc1 113956782 PDPHAZUBVJTCLY-VXGBXAGGSA-N 400.422 3.136 0 40 HGAB Cc1ccc(C(=O)Nc2ccccc2C(=O)NC(C)(C)C)cc1N(C)S(C)(=O)=O 222457145 TVBRREYPDFOFLI-UHFFFAOYSA-N 417.531 3.171 0 40 HGAB COc1ccc(C(=O)N(C)c2ccc(C)c(C)c2)cc1S(=O)(=O)N1CCCC1 222905845 FNXPVTNJFSVAEZ-UHFFFAOYSA-N 402.516 3.373 0 40 HGAB COc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)NCCc3ccccc3)c2)cc1 224276504 BBILCBNLBINQNA-UHFFFAOYSA-N 424.522 3.493 0 40 HGAB CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NC(C)(C)Cc1ccccc1 224527302 CPIAHECKRQLWLS-FQEVSTJZSA-N 418.559 3.377 0 40 HGAB CSc1nnc(NS(=O)(=O)c2ccc(SC)c(NC(=O)C(C)C)c2)s1 224662626 RWHNANDHICMGTO-UHFFFAOYSA-N 418.591 3.377 0 40 HGAB COC[C@H]1CCCN1Cc1nc(C2(O)CCN(Cc3ccc(F)cc3)CC2)cs1 225422848 OXMMBUXJSIFUDP-LJQANCHMSA-N 419.566 3.377 0 40 HGAB biogenic,in-vitro O=C(c1cc(-c2ccc(Cl)cc2)n[nH]1)N1CCc2nc3ccc(F)cn3c(=O)c2C1 225783997 RPNCCKSIEWSCIY-UHFFFAOYSA-N 423.835 3.076 0 40 HGAB COc1ccc(NC(=O)[C@@]2(C)CCN(c3ccc(Cl)cc3)S2(=O)=O)cc1OC 225946529 PLMQAZIYIKNDBV-LJQANCHMSA-N 424.906 3.295 0 40 HGAB C[C@H]1[C@H](C)CCC[C@H]1n1c(SCc2nc(N)nc(N)n2)nc2ccccc2c1=O 245263857 BGYZKAIYYUALGU-TYNCELHUSA-N 411.535 3.035 0 40 HGAB CC(=O)CC(=O)N[C@H]1CC[C@@H](C[C@H]2CC[C@@H](NC(=O)CC(C)=O)[C@H](C)C2)C[C@@H]1C 248265503 DLAADOGEGQKDFC-SKWAMZSJSA-N 406.567 3.177 0 40 HGAB CNC(=O)[C@@]1(Cc2cc(-c3ccccc3C)no2)CCN(C(=O)c2ccccc2)C1 257218161 DCBLAKLJWCCBGF-XMMPIXPASA-N 403.482 3.471 0 40 HGAB Cc1nccn1[C@@H]1CCC[C@@H](N(C)C(=O)CCc2nc3ccc(Cl)cc3[nH]2)[C@H]1O 257237673 HHOHOSJCJHYPPA-DBXWQHBBSA-N 415.925 3.267 0 40 HGAB O=C(N[C@H]1C(=O)N/[N+](=C\c2ccccc2)[C@@H]1c1ccc(Cl)cc1)c1ccccc1 409061244 YKQRUXYMWNLIAA-MKTJXXHISA-O 404.877 3.356 0 40 HGAB Cc1cccc(C(=O)NCc2nnc(SCC(=O)Nc3ccccc3C)n2C)c1 409062077 NAYZPFOYBHUYTR-UHFFFAOYSA-N 409.515 3.093 0 40 HGAB COc1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccccc3)[C@H]2c2ccc(C)cc2)cc1 409066946 IBAUOPOGWKTMBV-WFZBXURCSA-O 414.485 3.020 0 40 HGAB O=C(COc1ccc(S(=O)(=O)NCc2ccccc2)cc1)Nc1cccc(F)c1 409195367 IBRDWIWMUXLPLQ-UHFFFAOYSA-N 414.458 3.322 0 40 HGAB CCC[C@@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(Cl)c2)CC1 409352872 FITVIROXRPWNSO-CYBMUJFWSA-N 402.944 3.054 0 40 HGAB Cc1sc(NC(=O)c2nccn3ccnc23)nc1-c1ccc2c(c1)CCC(=O)N2 512294338 XDFWDMSWEIEWNJ-UHFFFAOYSA-N 404.455 3.298 0 40 HGAB O=C1CC[C@]2(C(=O)NC[C@H](c3ccccc3)c3c[nH]c4ccccc34)SCCN12 515008980 ZZELDPIFIBAFKD-WZONZLPQSA-N 405.523 3.482 0 40 HGAB CCN(CC)[C@H](CNC(=O)c1ccc2c(c1)NC(=O)CCN2C)Cc1ccccc1 525619725 FNCLZEPTGHPSHH-FQEVSTJZSA-N 408.546 3.148 0 40 HGAB CC(=O)Nc1cc(C(=O)N[C@@H](c2cnn(C)c2)C2(CO)CCC2)cc(C(F)(F)F)c1 557002288 OTZZECXHMCVVLN-KRWDZBQOSA-N 424.423 3.031 0 40 HGAB Cc1cccc(OC[C@H]2CCCN(C(=O)CCc3ccc(S(C)(=O)=O)cc3)C2)n1 1775969599 ZVARROFQBQFJQN-IBGZPJMESA-N 416.543 3.044 0 40 HGAB Cc1cnc(OC[C@]23CCC[C@@H]2CN(C(=O)c2cncc(Br)c2)C3)nc1 1888879317 NVUNGHHIWBQJTJ-DNVCBOLYSA-N 417.307 3.264 0 40 HGAB Cn1cc(-c2cnc(OC3CCN(Cc4ccnc5ccccc45)CC3)nc2)cn1 1889232838 KWWPUDCVXACKBC-UHFFFAOYSA-N 400.486 3.469 0 40 HGAB CC(C)c1nccn1CCC(=O)N1CCC[C@](O)(COc2ccc(F)cc2)CC1 2037909379 ZHYAPOGTPOJTCV-JOCHJYFZSA-N 403.498 3.358 0 40 HGAB Cc1ccsc1S(=O)(=O)N1C[C@H]2[C@@H](N(C)Cc3ccncc3)CCC[C@H]2C1 2055746507 PRDYSQBZBYIOJO-OTWHNJEPSA-N 405.589 3.373 0 40 HGAB CN(C)CCCn1c(=N)n(C[C@@H](O)c2ccc(Br)cc2)c2ccccc21 1237076 ZOXORTFDXCFOKL-LJQANCHMSA-N 417.351 3.370 0 40 HGAB O=C(COC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)Nc1ccccc1C(F)(F)F 1985889 GVLTZZPQBHNLAN-HNNXBMFYSA-N 420.387 3.236 0 40 HGAB CN(C)c1ccc(NC(=O)COC(=O)c2ccccc2I)cc1 2630106 SOZWWXKRGVBBOM-UHFFFAOYSA-N 424.238 3.153 0 40 HGAB CCOC(=O)C1=C2N3CCCCCC3=NN2C(=O)N[C@]1(c1ccccc1)C(F)(F)F 3249263 MXDGSMOCFGGJKN-IBGZPJMESA-N 422.407 3.447 0 40 HGAB O=C(COC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccc(F)cc1 3269352 AATFAHMCJPEYEE-UHFFFAOYSA-N 419.474 3.430 0 40 HGAB Cc1cccc(C(C)C)c1NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 3592072 RFLKOYKCXFRPPA-UHFFFAOYSA-N 402.516 3.392 0 40 HGAB COc1ccc(OC)c([C@@H](O)C[C@H]2c3c(cc4c(c3OC)OCO4)CCN2C)c1 4029245 GREBKDKZYPDUEK-IRXDYDNUSA-N 401.459 3.094 0 40 HGAB biogenic O[C@@H](COCCOc1ccc(Br)cc1)CN1CCc2ccccc2C1 4305293 NNJFKJJMJUZTET-LJQANCHMSA-N 406.320 3.264 0 40 HGAB CCOc1ccccc1NC(=O)CN1C(=O)N[C@@](C)(c2ccc(Cl)cc2)C1=O 4468490 CCHRXNMYTQCUGA-FQEVSTJZSA-N 401.850 3.144 0 40 HGAB C[C@@H](C(=O)N[C@H](C(=O)NC1CCCCC1)c1ccc(F)cc1)n1nc2ccccc2n1 4966812 YFSOGJAWEFJJBH-BTYIYWSLSA-N 423.492 3.438 0 40 HGAB Cc1cc(OCC(=O)N(Cc2ccco2)[C@H]2CCS(=O)(=O)C2)cc(C)c1Cl 5163563 DMFOGQSFMMAYJO-HNNXBMFYSA-N 411.907 3.145 0 40 HGAB Cn1/c(=N/C(=O)/C=C/c2ccccc2Cl)sc2cc(S(C)(=O)=O)ccc21 6422796 BQUPJPPLWRUMLH-PECCUKLLSA-N 406.916 3.437 0 40 HGAB CCCOc1ccc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCCO)cc1 6752893 QZKREPPYWNACRR-JOCHJYFZSA-N 407.470 3.499 0 40 HGAB CCN(CC)C(=O)[C@@H](Sc1nnc(-c2ccc(OC)cc2)n1N)c1ccccc1 7112383 WAANBTIZEABZLP-SFHVURJKSA-N 411.531 3.369 0 40 HGAB O=C(OCc1cccc(COC(=O)c2ccc(CO)cc2)c1)c1ccc(CO)cc1 7430011 OZLVQZMIFUTDAL-UHFFFAOYSA-N 406.434 3.385 0 40 HGAB Cc1c(C(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)sc2ccccc12 7466579 WCSJTGRAQPRSTF-UHFFFAOYSA-N 418.515 3.496 0 40 HGAB COc1cc(OC)c([N+](=O)[O-])cc1/C=C1/NC(=O)N(c2ccc(Cl)cc2)C1=O 8106588 ISHJHQCYFCMBCJ-NTUHNPAUSA-N 403.778 3.363 0 40 HGAB O=C(CN1CCc2sccc2[C@H]1c1ccccc1)N1CCN(c2ccccn2)CC1 8327924 UZBCMBLGMORPQU-XMMPIXPASA-N 418.566 3.439 0 40 HGAB CCCN(Cc1nnc(-c2cccs2)o1)C(=O)CSc1nnc(C2CC2)n1C 8474017 RBPRSCHKXRKPRK-UHFFFAOYSA-N 418.548 3.335 0 40 HGAB COC(=O)c1ccc2nc(NC(=S)NC(=O)c3cccc(OC)c3)sc2c1 8904316 BUNOPIHVDQEOQK-UHFFFAOYSA-N 401.469 3.218 0 40 HGAB CS(=O)(=O)c1ccc2nc(NC(=O)c3cc(=O)c4ccccc4o3)sc2c1 9109927 QYUXHINZLSLACU-UHFFFAOYSA-N 400.437 3.059 0 40 HGAB CCOc1ccc(-c2ccc(=O)n(CCNC(=O)Cc3ccc(Cl)cc3)n2)cc1 9844318 DLHWWBUIKVMNSX-UHFFFAOYSA-N 411.889 3.321 0 40 HGAB COc1ccc(N([C@H](C)C(=O)NCc2ccc(C)cc2)S(C)(=O)=O)cc1Cl 10366034 KEFBJLPRJWWRCW-CQSZACIVSA-N 410.923 3.128 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(Nc2ccccc2OC)c(NCC(=O)OC)c1 11625016 QZKNNPIJFOWONX-UHFFFAOYSA-N 421.519 3.054 0 40 HGAB COc1ccc(C2=NN(C(=O)CCC(=O)O)[C@H](c3ccc4nccnc4c3)C2)c(F)c1 12321709 JYDOYDAJSLJECG-FQEVSTJZSA-N 422.416 3.320 0 40 HGAB CCCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)c1 12627990 UIZWIGAZDBVOQZ-IBGZPJMESA-N 412.515 3.229 0 40 HGAB Cc1nn(-c2ccc(N3CCN(C(=O)Nc4cccc(F)c4)CC3)nn2)c(C)c1C 13009173 VLQBNRJRELXQSR-UHFFFAOYSA-N 409.469 3.081 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)N1CCc2ccccc21 13596245 NMFZNNRQYCYBRZ-UHFFFAOYSA-N 414.527 3.319 0 40 HGAB O=C(C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)N1CCC[C@@H]2CCCC[C@H]21 14014546 LKFZGCUFIVKYIM-OXJNMPFZSA-N 408.539 3.408 0 40 HGAB COc1ccc2cc([C@H](C)C(=O)NN3C(=O)NC4(CCC(C)CC4)C3=O)ccc2c1 14129344 UGAZXGRYKGZGQE-VZSHHBOJSA-N 409.486 3.484 0 40 HGAB CCC1(CC)CC(=O)N(CN2CCCN(c3ccc(C(F)(F)F)cn3)CC2)C1=O 14215231 BBVAEOUOVUCWGT-UHFFFAOYSA-N 412.456 3.135 0 40 HGAB Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N[C@H](C)c2ccc(F)c(F)c2)C(C)C)cc1 14229253 BPHIJUIEABEOAI-AUUYWEPGSA-N 410.486 3.454 0 40 HGAB COc1cc(CN(C)CN2C(=O)N[C@]3(CCCC[C@@H]3C)C2=O)ccc1OC(F)F 14229586 GWGJUOPCWDUCRJ-RBZFPXEDSA-N 411.449 3.187 0 40 HGAB CC(C)Oc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)cc1 14240507 HHKKUOVVNQGJGS-UHFFFAOYSA-N 422.934 3.274 0 40 HGAB Cc1cc(C)c(-c2csc(NC(=O)CN3CCN(c4ncccn4)CC3)n2)cc1C 14787721 MJSNPELSZFKLMI-UHFFFAOYSA-N 422.558 3.286 0 40 HGAB C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)OCCCc2cccnc2)cc1 15566300 BTOPWKZCNAVGGI-KRWDZBQOSA-N 402.516 3.434 0 40 HGAB COc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)N[C@@H](C)CCc1ccccc1 16576294 UEJNZMXCEZDWAR-HNNXBMFYSA-N 424.950 3.107 0 40 HGAB CCOC(=O)CN1C(=O)S/C(=C\c2ccc(-c3ccc(C(=O)OC)cc3)o2)C1=O 16682803 SXADYAUMXYQJFM-YBEGLDIGSA-N 415.423 3.333 0 40 HGAB CCc1nn(CC(=O)Nc2cccc(Br)c2)c(=S)n1-n1cccc1 16777900 NURFOZMGBDXFDW-UHFFFAOYSA-N 406.309 3.491 0 40 HGAB Cc1nc(COc2ccc(C(=O)OCc3cc(=O)n4ccccc4n3)cc2)cs1 18960157 UNBVXDQNGDVNEK-UHFFFAOYSA-N 407.451 3.395 0 40 HGAB Cc1ccc(-c2ccc(C[C@@]3(C(N)=O)CCCN(C(=O)[C@@H]4CCCO4)C3)cc2)cc1 19212345 OPZVYEKBQSWESK-DHLKQENFSA-N 406.526 3.478 0 40 HGAB CCC(=O)N1CCO[C@@](Cc2ccccc2-c2ccsc2)(C(=O)NC(C)C)C1 19499010 YCNQLYXLIHEHGY-JOCHJYFZSA-N 400.544 3.490 0 40 HGAB CC[C@H](CN1CCN(C)CC1)NC(=O)Cc1sc(C)nc1-c1ccc(C)cc1C 19500315 LQUUGRQEBAXURO-LJQANCHMSA-N 414.619 3.420 0 40 HGAB CCCC(=O)N1CCc2nc([C@H]3CCCN(Cc4ccc(CC)cc4)C3)[nH]c(=O)c2C1 19501587 IIYNSSCRFDIYBE-FQEVSTJZSA-N 422.573 3.397 0 40 HGAB COc1ccc(N2C[C@@H](C(=O)N3CCC[C@H]3c3ccc(OC)c(OC)c3)CC2=O)cc1 19556317 KADQEFYOVGACOQ-PXNSSMCTSA-N 424.497 3.429 0 40 HGAB CN1C[C@H](C(=O)Nc2cccc(F)c2)C[C@@H]1C1CCN(C(=O)c2cccnc2)CC1 19587617 IBLPGNRRSLZDQO-WIYYLYMNSA-N 410.493 3.032 0 40 HGAB Cc1ccc(C)c(-c2nc(Cn3c(=O)c4c(C)cc(C)nc4n(C)c3=O)c(C)o2)c1 19625574 DWHNUBUVONIBAA-UHFFFAOYSA-N 404.470 3.341 0 40 HGAB CNc1nc([C@H]2CCCCN2C(=O)CC2CCCCC2)nc2c1CN(C(C)=O)CC2 19752446 PJJRQPJGVDPYGH-HXUWFJFHSA-N 413.566 3.447 0 40 HGAB COC(=O)[C@@H](N[C@@H]1C(C)=C(C)C(=O)N1Cc1ccc(OC)cc1)c1ccccc1OC 20058055 SQEYVWQLCGFYLQ-VXKWHMMOSA-N 424.497 3.212 0 40 HGAB Cc1ccc(N(CC(=O)NCCCc2ccccc2Cl)S(C)(=O)=O)cc1C 22329463 OSHGLAFCRASFIA-UHFFFAOYSA-N 408.951 3.472 0 40 HGAB O=C(CN1CCN(Cc2ccc(Cl)s2)CC1)Nc1ccnn1C1CCCC1 22777175 FWWWKQYYIOHYET-UHFFFAOYSA-N 407.971 3.469 0 40 HGAB Cc1cccc(C)c1NC(=O)CN1CCN(CCC(=O)Nc2cccc(F)c2)CC1 22930522 VTOMGHLYYBHBOF-UHFFFAOYSA-N 412.509 3.027 0 40 HGAB CCOc1ccc(C(=O)N[C@@H](C(=O)NC[C@H](c2cccs2)N(C)C)C(C)C)cc1 23238399 AIOGJFNBFFFSMM-UYAOXDASSA-N 417.575 3.320 0 40 HGAB CC(C)N(CCNC(=O)c1ccc(C(=O)NCCN(C(C)C)C(C)C)cc1)C(C)C 24926840 DPKDONOZCMFNRY-UHFFFAOYSA-N 418.626 3.384 0 40 HGAB O=C(Nc1nc(CN2CCOCC2)cs1)c1ccccc1C(=O)c1ccccc1 24927668 RVZPWLMNASCZDK-UHFFFAOYSA-N 407.495 3.459 0 40 HGAB CSCC[C@@H](NC(=O)Cc1c(C)c2cc3c(C)coc3cc2oc1=O)C(=O)O 26771636 QVQHRPAJURWGDK-OAHLLOKOSA-N 403.456 3.021 0 40 HGAB biogenic Cc1ccc(SCCNCc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2C)cc1C 32740421 SGPVLTJHTWJPRE-GOSISDBHSA-N 407.605 3.358 0 40 HGAB COc1ccc(NC(=O)CNc2ccccc2C(C)(C)C)cc1S(=O)(=O)N(C)C 32819318 DLPFUBMMMPNEHR-UHFFFAOYSA-N 419.547 3.294 0 40 HGAB COc1ncccc1CNC(=O)c1ccc(Cl)c(I)c1 32924558 PSZFEACDORNHGR-UHFFFAOYSA-N 402.619 3.278 0 40 HGAB CCCN(CC(=O)Nc1ccccc1OC)C(=O)c1ccc(N2CCCC2=O)cc1 32964071 LDWWQINFCKQQMY-UHFFFAOYSA-N 409.486 3.313 0 40 HGAB CCOC(=O)N(CC(OC)OC)[C@@H](c1cccc(OC)c1)P(=O)(OC)OC 38601512 JBFXJMFNAWBGGD-MRXNPFEDSA-N 405.384 3.257 0 40 HGAB in-vitro CCc1cccc(CC)c1NC(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(C)ccc2O1 38856260 LYPXAULVIJVKJB-IBGZPJMESA-N 402.516 3.286 0 40 HGAB O=C(CCn1nnc(-c2ccc(Br)cc2)n1)NCc1ccccc1Cl 40025055 BVIMISFZDCHCDM-UHFFFAOYSA-N 420.698 3.463 0 40 HGAB Cc1ccc([C@@H](CNC(=O)c2csc(Cc3ccccc3)n2)N2CCOCC2)o1 40088856 KRMIKONMKCPVIK-LJQANCHMSA-N 411.527 3.439 0 40 HGAB CC(C)n1nc(C(=O)O[C@H](C)c2nc3ccccc3c(=O)[nH]2)c2ccccc2c1=O 40159271 VPUADZATHOVTMC-CYBMUJFWSA-N 404.426 3.132 0 40 HGAB CCOc1ccccc1NC(=O)Cn1nc2c(Sc3ccccc3)nccn2c1=O 49008777 DZGUDYYPPPISOZ-UHFFFAOYSA-N 421.482 3.080 0 40 HGAB CN(C)S(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](COCc3ccccc3)C2)cc1 49031523 CUWCSPKGXNMPRI-LJQANCHMSA-N 416.543 3.006 0 40 HGAB COC(=O)Cn1c2c(sc1=O)[C@@H](c1ccccc1)CC(=O)N2c1ccc(OC)cc1 49548259 YGDSOWBEFSWGIM-QGZVFWFLSA-N 424.478 3.292 0 40 HGAB CS(=O)(=O)c1ccc(NC(=O)C2(c3ccc(Br)cc3)CCC2)cn1 55367044 RELWIJTYTXAZOD-UHFFFAOYSA-N 409.305 3.308 0 40 HGAB CCOc1ccccc1N1C[C@@H](C(=O)Nc2ccc(Br)cn2)CC1=O 57625933 SRNBAFYWAJFRPS-LBPRGKRZSA-N 404.264 3.234 0 40 HGAB O=C(Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2Cc2ccccn2)cc1)C1CCCCC1 67896725 YCWGUNCOZLYLDS-FYYLOGMGSA-N 423.513 3.061 0 40 HGAB biogenic,in-vitro Cc1cc(C)cc(NC(=O)CN2N=C(c3nc(-c4ccccc4)no3)CCC2=O)c1 71328262 PGGBJZQMSZIFTD-UHFFFAOYSA-N 403.442 3.319 0 40 HGAB COCCn1c(=O)[nH]c2cc(C(=O)N3CCCC[C@@H]3c3nc4ccccc4[nH]3)ccc21 72346779 ZZIVMDHMIJTSGX-HXUWFJFHSA-N 419.485 3.220 0 40 HGAB Cn1nc([C@H]2CCCN(C(=O)c3nc4ccccc4s3)C2)n(-c2ccccc2)c1=O 77100582 GXWZBHWFOOHJFC-HNNXBMFYSA-N 419.510 3.201 0 40 HGAB O=C(OCc1ccccc1)N1CCC[C@H](S(=O)(=O)N[C@H]2CCc3ccccc32)C1 78876416 YBMKDDYMCUSUAF-FPOVZHCZSA-N 414.527 3.395 0 40 HGAB Cc1nc(CN(C)CC(=O)N2N=C(c3cccs3)C[C@@H]2c2cccs2)n[nH]1 79051934 GRPUSWCTPUYLEM-CQSZACIVSA-N 400.533 3.046 0 40 HGAB COC(=O)N1CCc2ccc(NS(=O)(=O)c3cc(C)c(OC)c(C)c3)cc2C1 96096309 QKGWVNFCWFEOMI-UHFFFAOYSA-N 404.488 3.237 0 40 HGAB COc1ccc(CN2C[C@@H]3C[C@H]2C(=O)N(Cc2cccnc2)c2ccccc2O3)cn1 96111839 VYUIHMWFCAXVJR-FPOVZHCZSA-N 416.481 3.054 0 40 HGAB biogenic,in-vitro O=C(NCc1cccnc1)c1ccc2nnc([C@H]3CCN(Cc4ccccc4)C3)n2c1 96156152 YYGFYJWSTMDCIC-FQEVSTJZSA-N 412.497 3.044 0 40 HGAB CCS(=O)(=O)C(Br)(Br)[C@@H](O)c1cccc(Cl)c1 96520872 FCIJUIZKECUAQN-VIFPVBQESA-N 406.523 3.252 0 40 HGAB Cc1cc(N2C[C@]34C=C[C@@H](O3)[C@@H](C(=O)Nc3ccc(Cl)c(Cl)c3)[C@@H]4C2=O)no1 101451494 NYEDVTVEGVOBGG-ZIGSKRJUSA-N 420.252 3.215 0 40 HGAB O=C(O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)Nc1ccn(Cc2ccc(Br)cc2)n1 102023130 DRWYMIFCSGWFGX-CLROSIBMSA-N 416.275 3.155 0 40 HGAB COc1ccc(OC)c(N([C@H](C)C(=O)Nc2ccccc2SC)S(C)(=O)=O)c1 220216825 KEVVRLTZTCLADE-CYBMUJFWSA-N 424.544 3.219 0 40 HGAB C[C@H](C(=O)NCc1cccc(C(F)(F)F)c1)N(c1ccc(F)cc1)S(C)(=O)=O 222865669 WVSBMVMVLDZQOT-GFCCVEGCSA-N 418.412 3.315 0 40 HGAB C[C@H](C(=O)NCc1ccccn1)N(Cc1ccc(F)cc1)C(=O)COc1ccccc1 222929477 WKTRDCUZPRHCIE-GOSISDBHSA-N 421.472 3.333 0 40 HGAB CC[C@@H](C(=O)Nc1nnc(SC)s1)N(c1cccc(Cl)c1)S(C)(=O)=O 223062083 WKKXWPDTECSDPB-NSHDSACASA-N 420.969 3.097 0 40 HGAB C[C@@H]1Cc2cc(S(=O)(=O)NCc3ccncc3)ccc2N1C(=O)c1ccccc1 223267139 FXIICCYCNVWORS-MRXNPFEDSA-N 407.495 3.152 0 40 HGAB COc1cc2c(cc1S(=O)(=O)NCc1nc(-c3cccc(C)c3)no1)CCCC2 223877584 RWAGFCPAGBMBOY-UHFFFAOYSA-N 413.499 3.411 0 40 HGAB Cc1ccccc1OCCNC(=O)CCCN(c1ccc(Cl)cc1)S(C)(=O)=O 224632526 OTKSVLKSKWSWGG-UHFFFAOYSA-N 424.950 3.390 0 40 HGAB COc1ccc2cc(S(=O)(=O)N3CCN(c4ccccc4OC)CC3)ccc2c1 225628301 DALNCMOCZBTRFB-UHFFFAOYSA-N 412.511 3.368 0 40 HGAB COc1cccc(CNC(=O)[C@H]2C[C@H]3CC[C@H]2C[C@@]32NC(=O)c3ccccc3N2)c1 257253200 JXXRWKOEMMKPSW-SKYHNFRHSA-N 405.498 3.299 0 40 HGAB CCCCC(=O)N1CCC[C@@](COc2ccccc2)(CC(=O)N2CCN(C)CC2)C1 257296563 RDIRYIPFHSEXRY-XMMPIXPASA-N 415.578 3.029 0 40 HGAB O=C([C@H]1C[C@H]2C=C[C@H]1C21CC1)N1CCC[C@@H]([C@@H]2C[C@H](C(F)F)n3ncnc3N2)C1 257298027 RJUQHNSGOGRRGE-RGGMIXCSSA-N 403.477 3.109 0 40 HGAB Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3cccn3-c3ccc(F)cc3)C2=O)c1 409106713 SWQYDQGOOUJCGM-DEDYPNTBSA-N 418.428 3.456 0 40 HGAB CCCC(=O)[C@H](CCc1ccccc1)N[C@H](C)C(=O)N1[C@H](C(=O)O)C[C@H]2CCC[C@@H]21 504304258 UJRWOTKNFKYDQM-TZMRYXNNSA-N 414.546 3.189 0 40 HGAB CC(=O)Nc1cc(S(=O)(=O)N(C)[C@H]2CCCN(c3ccccc3)C2)ccc1C 605591449 RHTGWOWOFQQPNW-IBGZPJMESA-N 401.532 3.243 0 40 HGAB CCN(CC)S(=O)(=O)N1CCC[C@H](c2cccc(Nc3ncc(C)s3)n2)C1 2037834808 RSBDYMOHUUBTQN-HNNXBMFYSA-N 409.581 3.356 0 40 HGAB CNCC(=O)N1CCC(c2cccc(Nc3ncc(-c4cccnc4)s3)n2)CC1 2037845734 IRFKPYYIBDEKPN-UHFFFAOYSA-N 408.531 3.269 0 40 HGAB O=C(C[C@]12COC[C@H]1CN(C(=O)c1cccc(Cl)c1)C2)NCCc1cccs1 2055759281 GHWOLGNSHXVITR-IERDGZPVSA-N 418.946 3.239 0 40 HGAB O=C(O)c1ccc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)OCC(F)(F)C(F)F)cc1 969110 WXCHDETYVQEOEU-STQMWFEESA-N 403.328 3.349 0 40 HGAB Cc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1Cl 1985908 BDPJCGHHKNDPMK-MRXNPFEDSA-N 400.862 3.179 0 40 HGAB COc1ccc(CCn2cnc3c([nH]c4cc(OC)c(OC)cc43)c2=O)cc1OC 2091311 OHUAOVMAONSVMU-UHFFFAOYSA-N 409.442 3.155 0 40 HGAB biogenic CC(C)(C)OC(=O)NCCCCCc1nnc(S(=O)(=O)Cc2ccccc2)o1 2213584 QGAMNPYALBPQKH-UHFFFAOYSA-N 409.508 3.281 0 40 HGAB Cc1cc(C(=O)OCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)c2ccccc2n1 3365250 LQKLMEXEXIFAIR-UHFFFAOYSA-N 423.494 3.378 0 40 HGAB COc1ccc(-c2nnc(SCC(=O)Nc3ccc(F)c(Cl)c3)n2N)cc1 3406125 MQPNXDWMXOUBSF-UHFFFAOYSA-N 407.858 3.191 0 40 HGAB COc1cccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c1 4217967 YXLUVZHFBUJWBN-UHFFFAOYSA-N 422.934 3.066 0 40 HGAB CC(C)(C)CC(=O)N1CCN2C(=O)c3cc(-c4ccccc4)ccc3NC(=O)[C@H]2C1 4235842 DTSCAWIUHXQEPP-HXUWFJFHSA-N 405.498 3.395 0 40 HGAB biogenic,in-vitro CCN(CC)C(=O)Cn1cc(C(=O)C(=O)Nc2ccc(OC)cc2)c2ccccc21 5086991 CUFMASDWGJZOGV-UHFFFAOYSA-N 407.470 3.340 0 40 HGAB COC(=O)c1c(C(=O)OC)c(-c2ccc(Cl)c(Cl)c2)n2c1C[S@](=O)C2 5320272 LCCAHCFTYHJVPG-RUZDIDTESA-N 402.255 3.255 0 40 HGAB O=C(NCCc1ccccc1)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 5603054 IRMNZMAHMYZDFD-UHFFFAOYSA-N 406.935 3.487 0 40 HGAB CCN(C(=O)CSc1cc(C)c2cc(C)cc(C)c2n1)[C@@H]1CCS(=O)(=O)C1 5979257 SZDODCRKYPINDO-MRXNPFEDSA-N 406.573 3.288 0 40 HGAB CN(C)S(=O)(=O)c1cc(NC(=O)CSc2ccc(F)cc2)ccc1Cl 6078719 PPEVNOIQGVXVCC-UHFFFAOYSA-N 402.900 3.460 0 40 HGAB C[C@H](OC(=O)C1CCC(C(C)(C)C)CC1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 6500341 CDKJRRMCQAWJKR-NFOMZHRRSA-N 410.536 3.057 0 40 HGAB O=C1O[C@H](C(=O)Nc2nc(SCc3ccc(Cl)cc3)n[nH]2)Cc2ccccc21 6648516 RPFLHAOLGQAYAB-HNNXBMFYSA-N 414.874 3.471 0 40 HGAB CCc1nnc2n1N[C@@H](c1ccc(OC)cc1)[C@H](C(=O)Nc1ccc(F)cc1)S2 6811993 XEXRJBHKAATYHG-ZWKOTPCHSA-N 413.478 3.386 0 40 HGAB CCOC(=O)c1oc2ccccc2c1COC(=O)c1ccccc1NS(C)(=O)=O 6975399 NLRDPCCBTRBUAE-UHFFFAOYSA-N 417.439 3.338 0 40 HGAB COc1cccc(/C=C/C(=O)N(Cc2nc3ccccc3c(=O)[nH]2)C[C@H]2CCCO2)c1 7671625 GMYGTHMOZUTXMW-TZZQJPOUSA-N 419.481 3.153 0 40 HGAB C[C@@H](NC(=O)CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)c1cccs1 8036348 GFENTKILMREEEO-MRXNPFEDSA-N 419.506 3.421 0 40 HGAB Cc1ccc(C(=O)N(C)Cc2nc3ccccc3c(=O)[nH]2)cc1NC(=O)c1ccco1 8131990 DMVXOJSVZNYYHP-UHFFFAOYSA-N 416.437 3.349 0 40 HGAB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccc([N+](=O)[O-])c3)C2=O)cc1 8157496 BBQRXEHUQUEQBK-MHWRWJLKSA-N 413.411 3.278 0 40 HGAB COc1ccc([C@@]2(C)NC(=O)N(Cc3cc(Cl)c4c(c3)OCCO4)C2=O)cc1 8315508 SPHBISWSLSQJQT-HXUWFJFHSA-N 402.834 3.087 0 40 HGAB COc1ccc(C(=O)Nc2nc3c(s2)CC[C@H]3C(=O)NCc2ccccn2)cc1 8979845 HURXTZIMUUGVEU-MRXNPFEDSA-N 408.483 3.145 0 40 HGAB CCSc1ncc(Cl)c(C(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)n1 9134934 FHEABWVVLPVBFA-UHFFFAOYSA-N 409.851 3.068 0 40 HGAB CC(C)(C)C(=O)[C@H]1[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]2[C@@H]2c3ccccc3C=NN12 9461881 YWTQOLURXZNQEK-FUMNGEBKSA-N 419.456 3.320 0 40 HGAB O=C(c1ccccc1C(F)(F)F)N1CCC(NS(=O)(=O)c2cccs2)CC1 11450523 DBFZXFOLQWSBJL-UHFFFAOYSA-N 418.462 3.350 0 40 HGAB C[C@H](OC(=O)CN1C(=O)c2ccccc2C1=O)C(=O)Nc1ccc(Cl)cc1Cl 11482397 JWDGJEFJLPASKG-JTQLQIEISA-N 421.236 3.160 0 40 HGAB COc1ccc(C2(C(=O)N3CCC[C@@H]3Cn3nnc(-c4cccs4)n3)CC2)cc1 12084975 BBIAQFDTYLAFJS-MRXNPFEDSA-N 409.515 3.133 0 40 HGAB O=C(N[C@H]1CCCc2c1cnn2-c1ccc(F)cc1)[C@H]1CCCN1C(=O)C(F)(F)F 12146038 DRKWQLPTHGXUNL-DOTOQJQBSA-N 424.398 3.058 0 40 HGAB CCn1cc(CN2CCc3c(nc(-c4ccncc4)[nH]c3=O)C2)c2cc(OC)ccc21 12222311 ONLYTNSOMQKRDP-UHFFFAOYSA-N 415.497 3.373 0 40 HGAB Cc1cc(NCCNS(=O)(=O)c2ccc(N3CCCC3=O)cc2)c2ccccc2n1 12362480 FIMXZIHHIJVIJS-UHFFFAOYSA-N 424.526 3.060 0 40 HGAB COC(=O)c1sc(S(=O)(=O)Nc2ccccc2SC)c(C(=O)OC)c1C 12552228 MGZZGEHIPFBJGT-UHFFFAOYSA-N 415.514 3.152 0 40 HGAB O=S(=O)(Nc1cccc(-c2nnnn2C2CC2)c1)c1ccccc1C(F)(F)F 12630702 VKRLUTQSUOOLFV-UHFFFAOYSA-N 409.393 3.495 0 40 HGAB O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1C[C@H](O)COc1ccc(F)cc1 12847923 XMZGMIFZJWNUIH-FQEVSTJZSA-N 420.440 3.061 0 40 HGAB Cc1cc(C)c(NC(=O)Cn2c(=O)n(Cc3ccco3)c(=O)c3sccc32)c(C)c1 13533082 XCFVZNPOUDEIEB-UHFFFAOYSA-N 423.494 3.430 0 40 HGAB O=C(CCN1C(=O)S/C(=C\c2cccs2)C1=O)NCCc1ccc(O)cc1 13572834 UJTKEMHHBLZNJX-VBKFSLOCSA-N 402.497 3.239 0 40 HGAB CC[C@@H](C)NC(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1 13680969 RAACQJKTSIURRM-GFCCVEGCSA-N 407.363 3.450 0 40 HGAB COc1cccc2ccc([C@H]3C(NC(=O)c4ccccc4)=C(C)N=C4NC=NN43)nc12 13720101 ZLRJLHKSFGDANA-NRFANRHFSA-N 412.453 3.164 0 40 HGAB C[C@@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)C(=O)Nc1ccccc1F 14094584 LOKPCNKVQAFFCL-GFCCVEGCSA-N 409.446 3.367 0 40 HGAB CCOC(=O)c1ccc(/N=c2\sc(C(=O)OC)cc(=O)n2Cc2ccccc2)cc1 15307348 MEBSLRDXUXGNQE-FCQUAONHSA-N 424.478 3.154 0 40 HGAB COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(CC(=O)Nc1cc(C)nn1C)CC2 15593997 YMGSUIHAVXIWEJ-XMMPIXPASA-N 420.513 3.332 0 40 HGAB CN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)[C@@H]2Cc3ccccc3O2)cc1 15611029 GPFLUNFPXFYULW-QFIPXVFZSA-N 422.506 3.450 0 40 HGAB Cc1cccc(N(C)S(=O)(=O)c2nnc(NC(=O)c3ccccc3C)s2)c1 15674593 GFDHFKBKMWBPHS-UHFFFAOYSA-N 402.501 3.232 0 40 HGAB COc1ccccc1[C@@H](C)NC(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1 17970952 UUYWSMBBKIRZCK-MRXNPFEDSA-N 412.511 3.346 0 40 HGAB CN1CCC(N(C[C@@H]2CCCO2)C(=O)c2n[nH]c3c2C[C@@H](C(C)(C)C)CC3)CC1 19082376 FSYYZQNTUZPECY-WMZOPIPTSA-N 402.583 3.276 0 40 HGAB Cc1c(C(=O)Nc2ccc(N3CCCC3)c3nonc23)cccc1N1CCOCC1 19664145 FJUBVBKZQSOYDT-UHFFFAOYSA-N 407.474 3.220 0 40 HGAB Cc1oc2c3c(ccc2c(=O)c1-c1ccccc1)OCN(CCN1CCOCC1)C3 20648046 GOTRWURFJBIIQD-UHFFFAOYSA-N 406.482 3.253 0 40 HGAB biogenic CCc1nn2c(=O)cc(CSc3nnc4c5ccccc5n(CC)c4n3)nc2s1 21605216 NJYTWMDUQPUFID-UHFFFAOYSA-N 423.527 3.319 0 40 HGAB CCc1ccc2nc(NC(=O)CCNS(=O)(=O)c3ccc(F)cc3)sc2c1 22024643 PSEWXHWQHPZULZ-UHFFFAOYSA-N 407.492 3.305 0 40 HGAB CCOC(=O)c1ccsc1NC(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O 22060257 VLCVRKIHNAXPJS-UHFFFAOYSA-N 408.785 3.397 0 40 HGAB COC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)c1C 22122895 PILQCOBGIFQWKS-KRWDZBQOSA-N 415.442 3.016 0 40 HGAB COC(=O)c1ccc(Cn2nc(C3CC3)c3cnn(-c4ccc(F)cc4)c3c2=O)cc1 22768086 SYDJCFGSWJBWRO-UHFFFAOYSA-N 418.428 3.434 0 40 HGAB CC[C@@H](NC(=O)CN1CCN(Cc2ccc3c(c2)OCO3)CC1)c1ccc(C)cc1 22773040 RRHOSJSTYMENRT-OAQYLSRUSA-N 409.530 3.109 0 40 HGAB CC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)OCc1ccc(Cl)nc1)C2=O 22973317 AGGMULXLDLPZIC-UHFFFAOYSA-N 407.898 3.305 0 40 HGAB O=C(NCCCSc1ccc(F)cc1)c1ccc(S(=O)(=O)NC2CC2)cc1 22975046 UBKFYCHRNXOQER-UHFFFAOYSA-N 408.520 3.179 0 40 HGAB O=S(=O)(c1cc(F)ccc1F)N1CCN(Cc2cccc3cccnc23)CC1 24259763 IJXKHLPBRDOEJM-UHFFFAOYSA-N 403.454 3.020 0 40 HGAB O=C(C1CC1)N1CCN(C(=O)C2(c3ccc(Br)cc3)CCCC2)CC1 25590770 LCJCTKYIVWKFSV-UHFFFAOYSA-N 405.336 3.342 0 40 HGAB CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC[C@H](c1ccco1)N1CCCCC1 27498441 PJWWVYFGFMHCKH-FCHUYYIVSA-N 422.529 3.152 0 40 HGAB COc1ccc(NC(C)=O)cc1NC(=O)[C@H](C)Nc1ccc2c(c1)OC(F)(F)O2 30006002 RFJHMRYBUANMCK-JTQLQIEISA-N 407.373 3.414 0 40 HGAB COc1ccc(CCNC(=O)c2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)cc1OC 32824550 IZEKTTQUGGOHAA-ROUUACIJSA-N 412.530 3.286 0 40 HGAB O=C1COc2ccc(Sc3cc(C(=O)N4CCOCC4)c4ccccc4n3)cc2N1 32829278 XGYRVDGMSHPJTL-UHFFFAOYSA-N 421.478 3.189 0 40 HGAB Cc1ccc(N2C[C@H](C(=O)N3CCC[C@H]3c3ccc4c(c3)OCCO4)CC2=O)cc1 32987975 NQKHHBFXVAALJZ-QUCCMNQESA-N 406.482 3.483 0 40 HGAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)N[C@H](C)CCc2ccccc2)cc1 39986149 OIQXWLQJCDCSIU-GOSISDBHSA-N 418.559 3.233 0 40 HGAB Cc1ccc(-n2ncc(C(=O)N3CCN(c4cnccn4)CC3)c2C2CC2)cc1Cl 40079917 MJCMACWJSFATOQ-UHFFFAOYSA-N 422.920 3.464 0 40 HGAB CC(=O)N(C)Cc1ccccc1NC(=O)NCCc1cc(F)cc2c1OCOC2 40120413 CLYZBPOJJPLEGZ-UHFFFAOYSA-N 401.438 3.035 0 40 HGAB C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)C(F)(F)c3ccccc3)cc2)C[C@@H](C)O1 40140497 ZMAHGEBTSUPTHJ-HUUCEWRRSA-N 424.469 3.215 0 40 HGAB Cc1ccc(NC(=O)C[C@@H]2C(=O)N(C[C@H]3CCCO3)c3nc4ccccc4n32)cc1 40372457 AYXACZFYUCLBKI-YLJYHZDGSA-N 404.470 3.440 0 40 HGAB CN(C)[C@@H](CNS(=O)(=O)c1ccccc1OC(F)(F)F)c1cccc(F)c1 48314950 ICMRNXCOUQZEOQ-AWEZNQCLSA-N 406.401 3.306 0 40 HGAB O=C(NCc1ccnc(N2CCOCC2)c1)Nc1cccc(OCc2ccccn2)c1 48355882 OFCJLTGSKKYSSM-UHFFFAOYSA-N 419.485 3.214 0 40 HGAB CCn1c(CN(C)Cc2ccc(C)cc2)nc2cc(S(=O)(=O)N(C)C)ccc21 57553990 KICODNXWRMJAAI-UHFFFAOYSA-N 400.548 3.247 0 40 HGAB CC(C)(C)c1ccc2c(c1)N(S(=O)(=O)c1ccccc1)C[C@@H](C(=O)NC1CC1)O2 64985586 WRHDPIDJXKFERQ-FQEVSTJZSA-N 414.527 3.219 0 40 HGAB COc1ccccc1-n1c(SCC(=O)NC(C)(C)C)nc2ccsc2c1=O 67216350 LWJHJKRIHJQSBI-UHFFFAOYSA-N 403.529 3.463 0 40 HGAB O=C(Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2Cc2ccc(F)cc2)cc1)C1CCC1 67896584 UJANUNQGCPJENH-IFMALSPDSA-N 412.461 3.025 0 40 HGAB biogenic,in-vitro Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2ccc(N3CCOCC3)nc2)cc1 72216201 MRIYTYMADSTKNZ-FQEVSTJZSA-N 401.532 3.143 0 40 HGAB C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCC(n3c(=O)oc4ccc(Cl)cc43)CC2)C1 72347896 ZGAFNPPHHRUPKE-HUUCEWRRSA-N 405.926 3.389 0 40 HGAB CC[C@@H](C(=O)N1CCC(c2ccc(Nc3ncccc3C)cn2)CC1)N1CCOCC1 72374357 VDNGANSQENJPCF-QFIPXVFZSA-N 423.561 3.345 0 40 HGAB C[C@H](Oc1ccccc1Br)C(=O)N1CC(=O)N(Cc2ccccc2)C1 89420048 NDYPECIGOHEYRX-AWEZNQCLSA-N 403.276 3.045 0 40 HGAB CN(C)CCNC(=O)c1cc2c(c3ccccc3n2CC2CC2)n1-c1ncccn1 96146531 WCURYKXOZURISR-UHFFFAOYSA-N 402.502 3.077 0 40 HGAB CCN(CC)C(=O)C[C@H]1CC2(CCN(S(=O)(=O)C3CC3)CC2)Oc2ccccc21 96243288 BMCPMDWSFJIXRA-KRWDZBQOSA-N 420.575 3.138 0 40 HGAB C[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2nc3ccccc3s2)CC1 96311020 OBLRILILZJFGIK-QGZVFWFLSA-N 406.555 3.392 0 40 HGAB COc1ccc(CNC(=O)[C@@H]2[C@H]3CC[C@@]4(CC(=O)c5ccccc5O4)[C@@H]32)c(OC)c1 100124470 PHXGGWLKETVAGS-RSZNVJGZSA-N 407.466 3.380 0 40 HGAB COc1cc([C@H]2C=C(c3ccc4c(c3)OCO4)Nc3ncnn32)cc(OC)c1OC 100284228 GAKDQWHQAFLWFN-OAHLLOKOSA-N 408.414 3.089 0 40 HGAB O=C(O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 101641488 YTZQVNLKYKSHMT-BJESRGMDSA-N 416.521 3.443 0 40 HGAB COc1ccc(C)cc1S(=O)(=O)N1CCC(C(=O)N(C)Cc2ccccc2)CC1 107646369 OJFCTBSYLYTILC-UHFFFAOYSA-N 416.543 3.063 0 40 HGAB COc1ccc(-c2noc(CN(C)C(=O)[C@@H](C)Oc3ccc(C)cc3)n2)c(OC)c1 218975100 ATUZITLQTUVDFZ-OAHLLOKOSA-N 411.458 3.488 0 40 HGAB COc1ccccc1CCCNC(=O)CCCN(c1ccc(C)cc1)S(C)(=O)=O 219625679 FUWJYMBHPWTLEP-UHFFFAOYSA-N 418.559 3.299 0 40 HGAB CC(C)CNS(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2Cl)s1 223355545 DUHHHZHWYZXCFW-UHFFFAOYSA-N 409.320 3.032 0 40 HGAB COc1ccc(-c2noc(CN(C)S(=O)(=O)Cc3ccc(Cl)cc3)n2)cc1 223645203 BNOZVLJACAXPBL-UHFFFAOYSA-N 407.879 3.360 0 40 HGAB Cc1cnc(C(=O)N2CCO[C@H](c3cc(Cc4cccc(F)c4)cc(C)n3)C2)cn1 257222769 DUQMAUHUZQWOQB-QFIPXVFZSA-N 406.461 3.432 0 40 HGAB CNC(=O)[C@@]1(c2ccccn2)CCCN(Cc2ccccc2OCc2ccccn2)C1 257306414 SUEUSIVAUHZOJG-VWLOTQADSA-N 416.525 3.335 0 40 HGAB CSc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H]2CCCc3ccccc32)cc1 260843180 OUAALFTWTFDKMM-IBGZPJMESA-N 404.557 3.223 0 40 HGAB Cc1cc(C)cc(S(=O)(=O)N2CC3(C2)OCC[C@H]3CCOCc2ccccn2)c1 306137076 QKYKEDDJEULNJI-LJQANCHMSA-N 416.543 3.085 0 40 HGAB Cc1ccc(S(=O)(=O)N2CC3(C2)OCC[C@H]3CCOCc2cccc(C)n2)cc1 306137419 QVVQCEQPJCZGHF-LJQANCHMSA-N 416.543 3.085 0 40 HGAB Cn1cc(CN2CCC3(CC2)c2ccccc2N(Cc2ccccc2)S3(=O)=O)cn1 306139022 SNHFSWRFWCNHQG-UHFFFAOYSA-N 422.554 3.261 0 40 HGAB CCOc1ccc(N([C@@H](C)C(=O)N[C@@H](C)CCc2ccccc2)S(C)(=O)=O)cc1 408629788 HXPJPIYDZJEIEW-ROUUACIJSA-N 418.559 3.377 0 40 HGAB COc1ccc(C(=O)N[C@H]2C(=O)N/[N+](=C\c3ccccc3C)[C@@H]2c2ccccc2)cc1 409058883 LXTDSIBAAOJGBD-WFZBXURCSA-O 414.485 3.020 0 40 HGAB CCCCNC(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(C)cc1 409122236 ZICRJWLAHOWOQJ-UHFFFAOYSA-N 420.531 3.124 0 40 HGAB FC(F)(F)c1ccc(-n2cc(CN[C@@H]3CCCN(c4ncccn4)C3)cn2)cc1 512105274 LGIMWSJSROCVCM-QGZVFWFLSA-N 402.424 3.440 0 40 HGAB O=C(c1ccc2ccccc2n1)N1CCC[C@H](Oc2ncc(Br)cn2)C1 575611119 AMQHHYQZXOTXCV-HNNXBMFYSA-N 413.275 3.471 0 40 HGAB O=S(=O)(Cc1ccc(C(F)(F)F)cc1)NCCn1cc(-c2ccncc2)cn1 575612879 OTDSLLVUACSTCU-UHFFFAOYSA-N 410.421 3.084 0 40 HGAB Cc1nc(N2CC[C@H]3CN(c4cc(C(F)(F)F)ccn4)C[C@@H]32)c2ccncc2n1 1889201588 OUIYUEKYNKRUMR-GUYCJALGSA-N 400.408 3.462 0 40 HGAB CC(=O)N1CCC[C@]1(Cc1ccccc1-c1ccccc1)C(=O)N1CCN(C)CC1 2037834579 RWMRGMDTORVZQO-VWLOTQADSA-N 405.542 3.051 0 40 HGAB O=C(Oc1ccc2c(=O)c(-c3ccc4c(c3)OCCO4)coc2c1)N1CCOCC1 631366 PJHWTGAQPWKFSY-UHFFFAOYSA-N 409.394 3.062 0 40 HGAB biogenic COc1ncncc1NS(=O)(=O)c1ccc(NC(=O)c2ccccc2Cl)cc1 1099849 MPXOPRCFQLIQCI-UHFFFAOYSA-N 418.862 3.192 0 40 HGAB O=C1[C@@H]2CCCCN2C(=O)N1CCCCN1CCN(c2cccc(Cl)c2)CC1 2183636 HVAZFJRSXVFBPC-IBGZPJMESA-N 404.942 3.059 0 40 HGAB CCCNC(=O)c1c(N)n(-c2ccc(C(=O)OCC)cc2)c2nc3ccccc3nc12 2396903 VKBCHAIVBCKCPO-UHFFFAOYSA-N 417.469 3.472 0 40 HGAB C[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)Nc2ccc(F)c(F)c2F)C1=O 2619727 LTGNUBCYQNZAHX-SFHVURJKSA-N 411.767 3.163 0 40 HGAB CCOC(=O)c1ccccc1NC(=O)COC(=O)Cc1ccc(Br)cc1 3309469 GBZFPPBJPVVSTM-UHFFFAOYSA-N 420.259 3.350 0 40 HGAB CCC(C)(C)NC(=O)[C@@H](c1cccnc1)N(C(=O)c1csnn1)C1CCCC1 4858837 GVCYUNAHFMYKHV-QGZVFWFLSA-N 401.536 3.364 0 40 HGAB COc1cccc([C@@H]2c3c(n[nH]c3-c3cc(C)cc(C)c3O)C(=O)N2CCCO)c1 5343666 ZHGXLCWBZKEUKW-OAQYLSRUSA-N 407.470 3.335 0 40 HGAB CC(C)(C)c1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3ccc4c(c3)OCO4)C2=O)cc1 5517477 MYAYEWKGGRZMTI-HSZRJFAPSA-N 423.469 3.119 0 40 HGAB CCCCC(=O)NC(=S)Nc1cc(Cl)ccc1N1CCN(C(=O)CC)CC1 6386449 RHEOYORVLNKHLO-UHFFFAOYSA-N 410.971 3.402 0 40 HGAB O=C1CN(C(=O)COC(=O)Cc2ccc(-c3ccccc3)cc2)c2ccccc2N1 6604952 UWUNBSLQVNTGMM-UHFFFAOYSA-N 400.434 3.425 0 40 HGAB COc1ccc(S(=O)(=O)Nc2ccccc2C(C)C)cc1C(=O)N1CCOCC1 7360805 MNIPLGWXHZZPDV-UHFFFAOYSA-N 418.515 3.092 0 40 HGAB CCOC(=O)CCCNC(=O)COC(=O)/C(=C/c1cccs1)c1cccs1 7777790 XNKKVOMTDGUVQK-NTCAYCPXSA-N 407.513 3.353 0 40 HGAB CN(CC(=O)Nc1ccc2c(c1)OCCCO2)CC(=O)Nc1ccccc1Cl 7912872 KEYXWNQPNAHYAW-UHFFFAOYSA-N 403.866 3.010 0 40 HGAB COc1cc(/C=C(/C#N)C(=O)NC(N)=O)cc(Cl)c1OCc1cccc(F)c1 8111157 QAACUWFQHNDZPZ-ACAGNQJTSA-N 403.797 3.169 0 40 HGAB O=C(CN1CCC[C@H]2CCCC[C@@H]21)Nc1cccc(S(=O)(=O)N2CCCC2)c1 8156371 ZQZFAMGYCSJFQO-XLIONFOSSA-N 405.564 3.064 0 40 HGAB O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)CCCOc2ccccc2)CC1 8157067 MXZMOOXLBVIBTI-UHFFFAOYSA-N 410.470 3.452 0 40 HGAB NC(=O)c1c(NC(=O)CCNC(=O)c2ccc(Cl)cc2)sc2c1CCCC2 8395240 XRVXAJXVMURZBR-UHFFFAOYSA-N 405.907 3.138 0 40 HGAB CCOC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)Nc2ccccc2C)cc1 8416781 FHSDOHFZXZNCPW-UHFFFAOYSA-N 412.442 3.072 0 40 HGAB CC(C)Oc1ccc(N2C[C@@H](C(=O)N3CCN(c4ccccc4)CC3)CC2=O)cc1 9234921 AUINTAMCRPADJW-IBGZPJMESA-N 407.514 3.176 0 40 HGAB CCOC(=O)c1c(NC(=O)CNc2ccccc2CC)sc(C(=O)NC)c1C 9336745 KTLUROSFSVDPGH-UHFFFAOYSA-N 403.504 3.206 0 40 HGAB Cn1cnnc1SCC(=O)Nc1ccc(C(=O)Nc2cccc3cccnc23)cc1 9481965 QXNPYJKNLHNOBT-UHFFFAOYSA-N 418.482 3.346 0 40 HGAB O=C(c1ccc(Br)cc1)N(CCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 10212908 GRNMMOFTTLIKNN-GOSISDBHSA-N 422.344 3.321 0 40 HGAB CCn1nnc2cc(C(=O)OCC(=O)Nc3cc(C)c(Cl)cc3OC)ccc21 10856785 CELWUEKWVJWOEX-UHFFFAOYSA-N 402.838 3.217 0 40 HGAB CCCCCCn1c(SCC(=O)N[C@@]2(C)CCS(=O)(=O)C2)nc2ccccc21 11489767 WJSGETRCZACVJP-FQEVSTJZSA-N 423.604 3.402 0 40 HGAB COc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3ccccc3F)n2)cc1OC 11693349 OOISNUSCRFSFQC-UHFFFAOYSA-N 411.433 3.486 0 40 HGAB O=C(c1cccc(N2CCCCS2(=O)=O)c1)N1CCC[C@@H]1c1nc2ccccc2[nH]1 12116089 ARHRFXFTZBUNJG-HXUWFJFHSA-N 424.526 3.470 0 40 HGAB O=C(CSc1nnc(Cc2ccccc2)c(=O)[nH]1)Nc1ccc(OC(F)F)cc1 12348368 CPRPOYRJJOXCGI-UHFFFAOYSA-N 418.425 3.088 0 40 HGAB C[C@H]1CN(C[C@@H](O)COc2ccc(Br)cc2Br)C[C@@H](C)O1 12420333 ZNGPEHWUSWLOND-NTZNESFSSA-N 423.145 3.061 0 40 HGAB Cc1cc(C(=O)O)cc(S(=O)(=O)Nc2ccccc2C(=O)N2CCCCC2)c1C 12548690 UYLJTJZYKKJDFE-UHFFFAOYSA-N 416.499 3.429 0 40 HGAB COc1cc(CNC(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)cc(OC)c1OC 12879336 KRJNGKBIJFEKLL-ZDUSSCGKSA-N 402.447 3.044 0 40 HGAB Cc1nn(-c2ccccc2)c2sc(C(=O)N(C)CC(=O)NCc3ccco3)cc12 12934716 PEAHBESDLQPSPE-UHFFFAOYSA-N 408.483 3.377 0 40 HGAB COc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)NC2=NCCS2)cc1OC 13114642 KUHMXBJIQKXART-UHFFFAOYSA-N 422.510 3.448 0 40 HGAB CC[C@H](C(=O)Nc1cccc(NC(C)=O)c1)N(c1ccc(Cl)cc1)S(C)(=O)=O 13714940 FXZPIAKXNIRJQV-GOSISDBHSA-N 423.922 3.482 0 40 HGAB O=C1N[C@]2(CCCc3sccc32)C(=O)N1C[C@H](O)COCc1ccccc1Cl 14188243 YOXJLNBKATXQDU-XOBRGWDASA-N 420.918 3.063 0 40 HGAB CCOc1ccc(OC[C@H](O)CSc2nnnn2-c2cccc(C)c2C)cc1 14238313 HWYYZPPYZQDEBZ-INIZCTEOSA-N 400.504 3.210 0 40 HGAB COc1ccc(CNC(=O)CCc2c(C)nc3nc(C(F)(F)F)nn3c2C)cc1 15190992 IUBNVESUQFBEJY-UHFFFAOYSA-N 407.396 3.018 0 40 HGAB CC(C)CCC[C@H](C)NC(=O)COC(=O)Cn1cnc2c(oc3ccccc32)c1=O 19197029 HHGBCEDGRUQZMK-HNNXBMFYSA-N 413.474 3.017 0 40 HGAB Cc1ccc(S(=O)(=O)Cc2csc(NC(=O)C[C@H](C)n3cccn3)n2)cc1 19211137 CLMGVHPQRYAKBT-AWEZNQCLSA-N 404.517 3.212 0 40 HGAB CC[C@H](Oc1ccccc1F)C(=O)N1CC[C@@H](c2cc(=O)[nH]c(-c3ccncc3)n2)C1 19499351 HHLRSVRRZKMUMK-APWZRJJASA-N 422.460 3.145 0 40 HGAB Cc1ncsc1C(=O)N1CCC[C@H](C(=O)c2cnn(-c3ccc(F)cc3)c2N)C1 19562087 WHIKBHZPOOAURE-ZDUSSCGKSA-N 413.478 3.094 0 40 HGAB COCC(=O)N1CCC[C@](Cc2cccc(-c3cccs3)c2)(C(=O)N(C)C)C1 19579121 FCHDULQRPDKVCU-JOCHJYFZSA-N 400.544 3.301 0 40 HGAB Cc1nc([C@@H]2CCN(C(=O)c3ccnn3C)C2)ncc1C(=O)Nc1ccc(Cl)cc1 19753224 FDAIGNGNJVYONI-CQSZACIVSA-N 424.892 3.054 0 40 HGAB COC(=O)C1=C(C)N(c2ccccc2)C(=O)C[C@H]1C(=O)Nc1ccc(OC)cc1OC 19819077 YZACVFKFEBHNPP-QGZVFWFLSA-N 424.453 3.142 0 40 HGAB COc1ccc(NC(=O)CSc2nnc(COc3ccccc3OC)o2)cc1 19928399 UGSJXJUNUIIOGE-UHFFFAOYSA-N 401.444 3.397 0 40 HGAB CCCN1C(=O)[C@](NC(=O)c2cccc(OC)c2)(C(F)(F)F)N=C1c1ccccc1 19939568 ONKMCZQNMVHVKA-FQEVSTJZSA-N 419.403 3.383 0 40 HGAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2cc(F)ccc2F)cc1C 20015655 JCYMTXKCAPAPAM-UHFFFAOYSA-N 412.458 3.321 0 40 HGAB COc1c(Cl)cc(C(=O)O)cc1NC(=S)NC(=O)COc1ccc(C)cc1 20153642 MXUWUUQIUQQKMQ-UHFFFAOYSA-N 408.863 3.247 0 40 HGAB CN(CCO)c1ncnc2c1sc1nc(N3CCCC3)c3c(c12)CC(C)(C)OC3 20358052 SWJFRNFJCCCXFM-UHFFFAOYSA-N 413.547 3.120 0 40 HGAB CC[C@@H](NC(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O)c1ccccc1 20494045 RXPRFVLZAYFXBN-GOSISDBHSA-N 418.515 3.229 0 40 HGAB Cc1ccc(C(=O)CCC(=O)OCC(=O)N[C@@H](c2ccccc2)c2nccn2C)cc1 22201727 UJBYREHFJJSZSS-QHCPKHFHSA-N 419.481 3.140 0 40 HGAB CN(Cc1ccccc1)C(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O 22273454 AMPNUOJCCIEMDD-UHFFFAOYSA-N 401.315 3.418 0 40 HGAB C[C@H]1CN(Cc2csc(NC(=O)c3ccc(NC(=O)C4CC4)s3)n2)C[C@@H](C)O1 22305064 IZLYCPTZYCRGRU-TXEJJXNPSA-N 420.560 3.415 0 40 HGAB CN1CCN([C@@H](CNC(=O)Nc2ccc(Cl)cc2)c2ccc3c(c2)OCO3)CC1 22577223 UAEOGHCOSFQSMR-SFHVURJKSA-N 416.909 3.179 0 40 HGAB CC(=O)c1c(C)cc(C)c(CN2CCN(S(=O)(=O)N3CCCCCC3)CC2)c1C 24244909 ROMBVVUBGABGHT-UHFFFAOYSA-N 421.607 3.053 0 40 HGAB O=C1NCc2cccc(NS(=O)(=O)c3ccc(Br)cc3Cl)c21 25044434 DTQYFLOJDNTOBQ-UHFFFAOYSA-N 401.669 3.147 0 40 HGAB Cc1cccc(NC(=O)CSCC(=O)N(C)Cc2ccc3c(c2)OCCO3)c1 25222594 PMCWVLOKKFSWPB-UHFFFAOYSA-N 400.500 3.097 0 40 HGAB COc1ccc(Br)cc1S(=O)(=O)NCCCN1CCCCCC1 31559938 DGJTVHNFCXEYMJ-UHFFFAOYSA-N 405.358 3.002 0 40 HGAB Cc1ccc(CNC(=O)N2CCNC(=O)[C@@H]2c2c(C)nn(-c3ccccc3)c2C)cc1 32754905 APKAEKMMHZEEKL-QFIPXVFZSA-N 417.513 3.180 0 40 HGAB CN(Cc1ccc(OC(F)F)cc1)C(=O)COc1cccc(N2CCCC2=O)c1 32768401 RMFNDHHARYAYGH-UHFFFAOYSA-N 404.413 3.452 0 40 HGAB CS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1cccc(OC2CCCC2)c1 32769550 ZYYANTDIIVMGED-OAQYLSRUSA-N 414.527 3.333 0 40 HGAB CCOC(=O)Cc1csc(SC[C@H]2CSc3nnc(-c4ccncc4)n32)n1 32777112 FKDUDHITVKEUKC-CYBMUJFWSA-N 419.557 3.341 0 40 HGAB O=C1C[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(OC(F)F)c(Cc2ccccc2)c1 32912744 VWGSRQVXKWYZON-DOTOQJQBSA-N 407.438 3.029 0 40 HGAB C[C@@H]1CCN(C(=O)COC(=O)CN(C)c2ccc(Cl)nn2)c2ccccc2S1 32913736 FPYIMUDLBNVHHF-CYBMUJFWSA-N 420.922 3.027 0 40 HGAB COc1ccccc1CNC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1c1nc2ccccc2c(=O)[nH]1 35313961 SWIKHZHVYJATFY-XSRQCEPYSA-N 401.466 3.154 0 40 HGAB CCc1ccccc1NC(=O)CN1CCN(C(=O)CCc2c[nH]c3ccccc23)CC1 35414339 KXLYLJPDIIKOMZ-UHFFFAOYSA-N 418.541 3.446 0 40 HGAB CCCc1nnc(S)n1CC(=O)NCc1ccccc1CN1CCCC[C@H]1C 36391054 KRZIZIDSQWWGMX-MRXNPFEDSA-N 401.580 3.210 0 40 HGAB CCOC(=O)N1CCC(NC(=O)c2nn(-c3ccccc3)c3c2CCCCC3)CC1 40144703 OHGUPVQOEUCBCN-UHFFFAOYSA-N 410.518 3.492 0 40 HGAB COc1cccc(-n2nnc(C(=O)NCc3ccccc3F)c2-c2cccnc2)c1 49003635 BEACGFUDACTYCW-UHFFFAOYSA-N 403.417 3.407 0 40 HGAB O=C(CN1CCc2sccc2[C@@H]1c1cccs1)N1CCC2(CC1)OCCO2 52073064 RRSRXKNRBATNEH-LJQANCHMSA-N 404.557 3.123 0 40 HGAB Cc1noc([C@@H]2CCCN(C(=O)[C@@H](NC(=O)c3ccc(Cl)cc3)C(C)C)C2)n1 54661343 BOPOCRZARUYTFY-WBVHZDCISA-N 404.898 3.192 0 40 HGAB CC(C)[C@@H](CNC(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1)N(C)C 65538583 VGTBERZBTPZUQR-CRAIPNDOSA-N 411.388 3.161 0 40 HGAB COc1ccc(NC(=O)c2nnn(CC(=O)Nc3ccc(C)cc3Cl)c2C)cc1 67323285 GYRCYSRXWDUANK-UHFFFAOYSA-N 413.865 3.448 0 40 HGAB O=C(NC[C@@]1(N2CCOCC2)CCSC1)Nc1ccccc1N1CCCCC1 70009091 OYTIPUPGAVMOPZ-NRFANRHFSA-N 404.580 3.006 0 40 HGAB CN(C)c1cc(CNC(=O)C[C@H]2Sc3ccccc3NC2=O)c2ccccc2n1 72304641 IALKHTQRVYVSGS-LJQANCHMSA-N 406.511 3.420 0 40 HGAB O=C(COC(=O)c1cncc(Br)c1)NCc1ccccc1C(F)(F)F 72328254 MOGIXHJOMXQASG-UHFFFAOYSA-N 417.181 3.336 0 40 HGAB CN1c2ncccc2C(=O)N[C@H]1c1ccccc1NC(=O)c1cc(C(C)(C)C)nn1C 72347380 WFAXQPNTHFOOTE-HXUWFJFHSA-N 418.501 3.243 0 40 HGAB Cc1nc(CN(C)C(=O)Cc2ccc(F)cc2)nc2c1CCC(=O)N2CCC(C)C 72370986 YQPZFHBANOIZNM-UHFFFAOYSA-N 412.509 3.451 0 40 HGAB COc1cccc(-c2nc(COC(=O)CN3CC(=O)Nc4ccccc43)cs2)c1 78808716 QIHIBLQNZJMPRW-UHFFFAOYSA-N 409.467 3.321 0 40 HGAB CC(=O)CCc1ccc(OCC(=O)NC2CCN(C(=O)c3ccc(C)cc3)CC2)cc1 95348544 INERVYUYLPOOJK-UHFFFAOYSA-N 422.525 3.316 0 40 HGAB CCCOc1c(Br)cc(C(=O)N(CCC(=O)O)C2CC2)cc1OC 95969857 GVNPQCKIVSDQHJ-UHFFFAOYSA-N 400.269 3.326 0 40 HGAB CCOc1cc(CNC[C@H]2CCCN2CC)ccc1Oc1nnnn1-c1ccccc1 96319052 LOGLACYTPGZRNM-HXUWFJFHSA-N 422.533 3.427 0 40 HGAB O=C(NC1CCN(c2cc(-c3ccc(F)cc3)n[nH]2)CC1)[C@H]1COc2ccccc2O1 98212902 IRHIYRVCPTYODO-OAQYLSRUSA-N 422.460 3.141 0 40 HGAB O=C(CCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)Nc1ccc2c(c1)C(=O)c1ccccc1-2 103171936 IPFAYVVKSVPDHP-HCIHMXRSSA-N 412.445 3.034 0 40 HGAB CC[C@@H]1CCCCN1c1nc(=O)c2c([nH]1)NC(=O)C[C@H]2C(=O)Nc1cc(C)cc(C)c1 139117692 LCRJBCJETRQKHI-IAGOWNOFSA-N 423.517 3.220 0 40 HGAB CCOC(=O)[C@]1(N)[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218534973 SUKOTUMNTYNMIY-RYRKJORJSA-N 414.310 3.194 0 40 HGAB COc1ccc(N(CCCC(=O)NCCCc2ccc(F)cc2)S(C)(=O)=O)cc1 222605119 RJCSKUTWRNXNCG-UHFFFAOYSA-N 422.522 3.130 0 40 HGAB CCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)COc1ccccc1OC 225009046 MUTFEGGLYPMLGC-QGZVFWFLSA-N 414.502 3.026 0 40 HGAB CC1CCN(c2cc(C(F)(F)F)nc(NC(=S)NC[C@@H]3CCCO3)n2)CC1 225909986 YNUDJWRIESQGAX-LBPRGKRZSA-N 403.474 3.197 0 40 HGAB C[C@@H]1CCCN(CC(=O)Nc2ccc(S(=O)(=O)N3[C@H](C)CCC[C@H]3C)cc2)C1 245227290 KBGUYTKESWMCLC-KZNAEPCWSA-N 407.580 3.309 0 40 HGAB CO[C@H]1CCN(CC(=O)Nc2cccc(-c3csc(C)n3)c2)C[C@]12CCCO2 257199996 ABOHWWWRQNUZOM-PZJWPPBQSA-N 401.532 3.327 0 40 HGAB COc1ccc(NC(=O)CN2CCC(c3cccc(Nc4ncccn4)n3)CC2)cc1 257218511 DDJVYQPMPXFWAU-UHFFFAOYSA-N 418.501 3.442 0 40 HGAB O=C(Cc1ccc(F)cc1)N1CCC[C@]2(CC1)CN(Cc1ccccc1)C(=O)CO2 257315125 UZZTZLJEBXIHAL-DEOSSOPVSA-N 410.489 3.179 0 40 HGAB O=S(=O)(Nc1cnn(C[C@@H]2CCCCO2)c1)c1ccc(OC(F)(F)F)cc1 390827805 KIWSIDKZJRQHFH-AWEZNQCLSA-N 405.398 3.152 0 40 HGAB CCOC(=O)Nc1cc(S(=O)(=O)Nc2cc(OC)ccc2OC)ccc1OC 408588832 ZHQJLXUVRPAOTC-UHFFFAOYSA-N 410.448 3.082 0 40 HGAB CCCCOC(=O)c1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NC)c2)cc1 408598284 YSSLJDJLDSBJPC-UHFFFAOYSA-N 404.488 3.112 0 40 HGAB COc1ccc(C)cc1N(CC(=O)Nc1ccc(OC(C)C)cc1)S(C)(=O)=O 408617917 FDBPRNVJYKGEQQ-UHFFFAOYSA-N 406.504 3.196 0 40 HGAB COc1cccc(NC(=O)[C@@H](C)NS(=O)(=O)c2cc(Cl)ccc2Cl)c1 409389677 IGOKMWKCSQYQTD-SNVBAGLBSA-N 403.287 3.308 0 40 HGAB O=C1CNC(=O)c2ccc(C(=O)N3C[C@H](c4ccccc4)[C@@H]4CCCC[C@H]43)cc2N1 501393558 BJIDSJNYSWLHIG-FBBABVLZSA-N 403.482 3.167 0 40 HGAB CSCC[C@@H](C(=O)Nc1cc(Cl)ccn1)n1c(O)nc2ccccc2c1=O 524732607 DPJJIGBKQACCQZ-AWEZNQCLSA-N 404.879 3.083 0 40 HGAB COCCC1(C(=O)N[C@H]2CCC[C@H]2NC(=O)C2(CCOC)CCCC2)CCCC1 683370120 UCJURQPVXRCIKD-KDURUIRLSA-N 408.583 3.334 0 40 HGAB Cc1noc(C)c1CN1CC[C@H]2[C@H](CC(=O)NCc3cc(F)cc(F)c3)OC[C@H]2C1 1565548676 HUIMMTBPRNIROP-BSIFCXSSSA-N 419.472 3.113 0 40 HGAB O=S(=O)(NCc1ccc(Cn2cccn2)cc1)c1ccccc1Br 16736745 OCWORPFBDLSNKS-UHFFFAOYSA-N 406.305 3.172 0 40 HGAB NC(=O)N[C@@H](CC(=O)Nc1ccc(N2CCCC2=O)cc1)c1ccccc1Cl 8269738 DBHPGHIEVAIYBC-KRWDZBQOSA-N 400.866 3.205 0 40 HGAB CS(=O)(=O)N1CCc2cc(C(=O)Nc3ccc4c(c3)OC3(CCCC3)O4)ccc21 8270980 KMQFBUUENUNXQV-UHFFFAOYSA-N 414.483 3.303 0 40 HGAB O=C(c1cc(-c2ccc(Br)cc2)n[nH]1)N1CCCC[C@@H]1C1OCCO1 69283246 CQAWZSCOSVOGCB-MRXNPFEDSA-N 406.280 3.207 0 40 HGAB CCCOc1ccc(C(=O)N2CCC(NS(=O)(=O)c3cccs3)CC2)cc1 11450467 NCQTXAJQZCACHU-UHFFFAOYSA-N 408.545 3.120 0 40 HGAB CCOc1ccc(NCc2nnc(SCC(=O)O)n2-c2ccc(OC)cc2)cc1 900430 GNOQERGCFUFIBB-UHFFFAOYSA-N 414.487 3.463 0 40 HGAB CC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1 900852 AFNKMYTYFUQRTQ-CYBMUJFWSA-N 400.456 3.122 0 40 HGAB COCCN1C(c2ccccc2)=CC(=C2C(=O)N(C)C(=O)N(C)C2=O)C2=C1CCCC2 2692972 WXVRVSPLZPMBJZ-UHFFFAOYSA-N 421.497 3.165 0 40 HGAB CC[C@@H](OC(=O)[C@H](CC(C)C)NC(=O)c1ccccc1)C(=O)Nc1cc(C)on1 2759121 IQICGZBMGBHXCT-DLBZAZTESA-N 401.463 3.088 0 40 HGAB COCCNC(=S)N(Cc1ccccc1)Cc1cc2cc(OC)ccc2[nH]c1=O 4133200 VDOHDTLSVQQBFC-UHFFFAOYSA-N 411.527 3.060 0 40 HGAB CSc1ccc(-c2ccc(=O)n3c2[C@@H]2C[C@@H](CN(C(=O)c4cnccn4)C2)C3)cc1 4237473 OCJVDZRBPAFDNY-DOTOQJQBSA-N 418.522 3.287 0 40 HGAB biogenic,in-vitro CCOc1ccc(NC(=O)NC2CCN(CC(=O)N[C@H]3CCCC[C@H]3C)CC2)cc1 4909372 XAKRQMQQJBGDEX-UTKZUKDTSA-N 416.566 3.366 0 40 HGAB CC(C)OCCCNC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 6307100 FUPVLRVCHJYRSS-UHFFFAOYSA-N 424.950 3.467 0 40 HGAB CN(CC(=O)NCc1ccc(F)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl 7717364 VRDBVLXJAAAGGH-UHFFFAOYSA-N 405.278 3.069 0 40 HGAB CCOC(=O)c1[nH]c(C[n+]2ccc(C(=O)c3ccccc3)cc2)c(C(=O)OCC)c1C 21224253 CUJZNLOHZDDJPP-UHFFFAOYSA-O 421.473 3.243 0 40 HGAB NC(=O)[C@@H]1CC(C(=O)Nc2ccc(Cl)c3ncccc23)=NN1c1ccc(F)cc1 32770928 OIRSENXBTKRWRC-KRWDZBQOSA-N 411.824 3.086 0 40 HGAB Cc1c(C(=O)O)sc2nc(S)n(NC(=O)c3ccc(C(C)C)cc3)c(=O)c12 102236244 WESDVOHPJIIVBX-UHFFFAOYSA-N 403.485 3.261 0 40 HGAB COc1ccc(OC)c(NC(=O)COC(=O)CCCC(=O)Nc2ccccc2C)c1 8412594 PEIYRWJDPDIFDL-UHFFFAOYSA-N 414.458 3.303 0 40 HGAB O=C(CN1C(=O)N[C@]2(CCCCc3ccccc32)C1=O)Nc1ccc2c(c1)CCC2 8772453 FSEKTLJWYKGVAL-DEOSSOPVSA-N 403.482 3.288 0 40 HGAB CC(C)CC(=O)N[C@@H](N1C[C@H]2C[C@H](C1)c1cccc(=O)n1C2)C(Cl)(Cl)Cl 102472460 MFGUWGFMUWXDMB-XNJGSVPQSA-N 420.768 3.126 0 40 HGAB Cc1csc(NC(=O)c2cccc(S(=O)(=O)Nc3ccc4c(c3)OCO4)c2)n1 10555176 ZRWSNJZAABFGFO-UHFFFAOYSA-N 417.468 3.233 0 40 HGAB Cc1nn(CC(=O)Nn2c(C)nc3sc4c(c3c2=O)CCCCCC4)cc1Cl 2780510 NVMJCVWKQJJYKP-UHFFFAOYSA-N 419.938 3.354 0 40 HGAB O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCN(CCc2cccs2)CC1 58159179 GTWMTENCKBIKRT-UHFFFAOYSA-N 404.479 3.316 0 40 HGAB CCOC(=O)c1cc2cc(NC(=O)N3CCN(C(=O)OCC)CC3)ccc2s1 57991250 CCRFLVFMXKFCES-UHFFFAOYSA-N 405.476 3.384 0 40 HGAB COC(=O)c1c(C)nc(C2CC2)nc1SCC(=O)N[C@@H](C)[C@H]1C[C@H]2CC[C@H]1C2 104679445 LANAIHVRDUBMLC-DLKVLKDVSA-N 403.548 3.482 0 40 HGAB COc1cc(C(=O)Nc2ccc(F)c(Cl)c2)c(N(C)S(C)(=O)=O)cc1OC 22251300 SAFVHKNMTUUONE-UHFFFAOYSA-N 416.858 3.144 0 40 HGAB O=C(NCc1cn2ccccc2n1)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 24601425 ZGXSYKWMTSXSRE-UHFFFAOYSA-N 403.408 3.281 0 40 HGAB CCOC(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccc(NC(C)=O)cc1 113871621 DKQMHHGTYCUHNP-UHFFFAOYSA-N 404.488 3.020 0 40 HGAB CCOc1ccccc1/C=c1\sc2nc(/C=C/c3ccc(OC)cc3)nn2c1=O 27022228 VAZBCZINXYWVER-ANMLQGLPSA-N 405.479 3.276 0 40 HGAB Cn1c(=S)n(CN(Cc2ccccc2)[C@@H]2CCS(=O)(=O)C2)c2ccccc21 12515183 JSVBEASCKYIEOZ-QGZVFWFLSA-N 401.557 3.356 0 40 HGAB COC(=O)[C@H](NC(=O)c1cc(OC)ccc1OC)c1ccc(Br)cc1 58019179 GVFJUKGQEPODGV-MRXNPFEDSA-N 408.248 3.110 0 40 HGAB Cc1cc(NC(=O)Cn2cc(C(N)=O)c(-c3ccccc3)n2)ccc1Br 58179921 KZNOZKYEVLDJBT-UHFFFAOYSA-N 413.275 3.359 0 40 HGAB C[C@@H](NC(=O)Nc1cccc(Cn2cccnc2=O)c1)c1ccc2c(c1)CCC(=O)N2 47734458 HCPKOJULEOWEHG-OAHLLOKOSA-N 417.469 3.059 0 40 HGAB COc1ccc([C@H]2CCCN2S(=O)(=O)CCn2cnc3ccccc32)c(OC)c1 10517077 ZLMAJQFIPLBBMJ-LJQANCHMSA-N 415.515 3.220 0 40 HGAB Cc1cc(-n2c(C)cc(C(=O)COC(=O)c3ccc(Cn4cncn4)cc3)c2C)no1 10655715 VXYVOUDRMXAGIC-UHFFFAOYSA-N 419.441 3.070 0 40 HGAB O=C(CN1CCN(C(=O)c2ccc(-c3ccc(Cl)cc3)s2)CC1)NC1CC1 36384702 JBSXKBQFJGDYMF-UHFFFAOYSA-N 403.935 3.105 0 40 HGAB Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 28436741 YRXSXRNDGVZNFQ-GOSISDBHSA-N 406.486 3.089 0 40 HGAB COCCn1c(SCC(=O)Nc2ccc3c(c2)CCC3)nc2ccccc2c1=O 3363037 DIWWBOAICJANEN-UHFFFAOYSA-N 409.511 3.262 0 40 HGAB O=C(NC1CC1)c1cccc(NC(=O)c2ccccc2I)c1 12767963 QZLYROLAURXFRO-UHFFFAOYSA-N 406.223 3.436 0 40 HGAB CCc1ccccc1NC(=O)CN1CCN(C(=O)COc2c(C)cccc2C)CC1 12798726 WBDLBUCFBDXGMG-UHFFFAOYSA-N 409.530 3.028 0 40 HGAB Cc1c(-c2ccccc2)oc2c(C(=O)OCC(=O)NC(=O)NC(C)C)cccc2c1=O 3437470 XSEVIQXHUDIHGI-UHFFFAOYSA-N 422.437 3.159 0 40 HGAB Cc1csc(S[C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)n1 3450046 ICQBOIZEMDTLOJ-CYBMUJFWSA-N 411.574 3.355 0 40 HGAB O=C(CSc1nnc(C[C@@H]2CCS(=O)(=O)C2)o1)c1cccc2ccccc12 12987596 JTFOOUZRZSNHER-ZDUSSCGKSA-N 402.497 3.175 0 40 HGAB Cc1nn(C)c2nc(C3CC3)cc(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)c12 12977537 LHXIOIILGDYUKQ-UHFFFAOYSA-N 416.485 3.204 0 40 HGAB COc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(SC)cc3)C2)cc1NC(C)=O 13015004 GGZQAPIGVFEDDN-CQSZACIVSA-N 413.499 3.367 0 40 HGAB Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)Nc1ccc(Oc2ccccc2)cc1 13005933 ILJLLARWJRRNAE-AWEZNQCLSA-N 415.471 3.389 0 40 HGAB COc1ccc(NC(=O)CSc2nnnn2-c2ccccc2C(F)(F)F)cc1 5015308 AYGNMVRXYGSIED-UHFFFAOYSA-N 409.393 3.421 0 40 HGAB C[C@H]1CN(c2ccc(NC(=O)c3ccc(CS(C)(=O)=O)cc3)cc2F)C[C@H](C)O1 65576615 TVGGTBGRBLZGSG-GJZGRUSLSA-N 420.506 3.236 0 40 HGAB CC(=O)N/C(=C\c1ccccc1)C(=O)Nc1ccc(I)cc1 4511108 RDGLZHVXGPKTQB-WJDWOHSUSA-N 406.223 3.407 0 40 HGAB Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(F)c(Cl)c2)C1 18230565 VHVYSOBVHVERAQ-LBPRGKRZSA-N 415.874 3.123 0 40 HGAB C[C@H](C(=O)NC(=O)Nc1ccc2c(c1)OCCO2)N1CC=C(c2ccccc2)CC1 14920479 QTINJAIYWKBGCX-MRXNPFEDSA-N 407.470 3.284 0 40 HGAB C[C@H](c1nnc(SCC(=O)c2ccccc2)n1C)N1C(=O)COc2ccccc21 15019124 PUZLHIQXGZYJMF-CQSZACIVSA-N 408.483 3.277 0 40 HGAB CCN(CC)S(=O)(=O)c1cc(NC(=O)COC(=O)c2sccc2C)ccc1C 9438547 PVIQUESNIWCRLY-UHFFFAOYSA-N 424.544 3.191 0 40 HGAB C[C@]1(C2CCN(c3nc(-c4ccccc4)nc4ccccc34)CC2)NC(=O)NC1=O 72312266 FWIYLOIUYLMOMW-HSZRJFAPSA-N 401.470 3.111 0 40 HGAB Cc1cc(C)n(-c2ccc(CNC(=O)Nc3ccc([S@@](C)=O)c(F)c3)cn2)n1 78974750 GHLBCZBYVUPQJR-NDEPHWFRSA-N 401.467 3.082 0 40 HGAB COc1ccc(C(=O)N2CCC(c3nc(-c4ccc5c(c4)OCO5)no3)CC2)cc1 23319973 FVWYDVOVRFWFIY-UHFFFAOYSA-N 407.426 3.494 0 40 HGAB Cc1nn(C)c2c(N3CCN(C(=O)c4ccccc4Cl)CC3)nc(C(C)C)nc12 28557683 MQSMAXPXZFJCHC-UHFFFAOYSA-N 412.925 3.411 0 40 HGAB COc1ccc(CCC(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)cc1OC 22513536 HJQGQBYSVWZSBU-KRWDZBQOSA-N 412.486 3.184 0 40 HGAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)cc1C 22539453 DEFGZDNGXJDFGP-LSDHHAIUSA-N 408.495 3.077 0 40 HGAB COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)NCC(C)C)cc2)c1 408598247 YKQPSQHCVHENOR-UHFFFAOYSA-N 407.492 3.282 0 40 HGAB CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1 408592444 KMNSGCPBZRUGDM-JTQLQIEISA-N 403.287 3.308 0 40 HGAB COc1ccc([C@H](CNC(=O)CN2CCOCC23CC3)c2c[nH]c3ccccc23)cc1 549074595 LHPUHUXRGZLUTD-NRFANRHFSA-N 419.525 3.289 0 40 HGAB CC[C@@H](C(=O)N[C@H](C)c1ccc(OC)cc1)N(c1ccc(F)cc1)S(C)(=O)=O 36124351 CUIXJJLLBXAQRX-KUHUBIRLSA-N 408.495 3.256 0 40 HGAB CC(C)(C)c1ccc(C(=O)N2CCN(c3ccc(-n4cnnc4)cc3N)CC2)cc1 70461880 YSJLJJJNUYDUBK-UHFFFAOYSA-N 404.518 3.109 0 40 HGAB CCN1CCC2(CC1)CN(C(=O)[C@@H](N)Cc1ccccc1)Cc1cc(C)ccc1O2 72394730 OGDXNIRRJPAGPZ-QFIPXVFZSA-N 407.558 3.141 0 40 HGAB COc1ccc(C(=O)CCC(=O)N2CCC[C@H](c3nn(C)c4nccnc34)C2)c(C)c1 72393912 PHBVPONKMPTDEL-INIZCTEOSA-N 421.501 3.049 0 40 HGAB CCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CCCOc1ccc(OC)cc1 224079248 RIMSFJQUHXPALA-LJQANCHMSA-N 412.530 3.450 0 40 HGAB Cc1ccc(C(=O)N[C@@H](C)COc2ccccc2)cc1N1CCCCS1(=O)=O 224402207 GUBQTMGQJNPEBO-KRWDZBQOSA-N 402.516 3.122 0 40 HGAB Cc1ccc(OCCNC(=O)[C@H](C)N(c2ccc(C)c(Cl)c2)S(C)(=O)=O)cc1 220368739 GZZJGAIPCAGSQX-INIZCTEOSA-N 424.950 3.307 0 40 HGAB CCCOC(=O)c1ccc(NC(=O)[C@]23CCC(=O)N2c2ccccc2C(O)=N3)cc1 40313284 CGJNUDGZNVSNJF-QFIPXVFZSA-N 407.426 3.033 0 40 HGAB biogenic COc1ccc(S(=O)(=O)NCc2ccc3ccccc3c2)cc1N1CCCC1=O 222791337 CFXFLYGWGHDLTO-UHFFFAOYSA-N 410.495 3.454 0 40 HGAB COc1ccc2cc(S(=O)(=O)Nc3ccc(N4CCN(C)CC4)cc3)ccc2c1 225713952 XTOJVXJUONCHRP-UHFFFAOYSA-N 411.527 3.401 0 40 HGAB COc1cc(NC(=S)NCCCNc2ccnc3cc(Cl)ccc23)ncn1 225219809 NQSYOKGMKVFGGI-UHFFFAOYSA-N 402.911 3.475 0 40 HGAB CCCNC(=O)c1ccccc1NC(=O)c1cccc(N2CCCCS2(=O)=O)c1 222554297 LKYLVRGPLHRUBQ-UHFFFAOYSA-N 415.515 3.009 0 40 HGAB CCOC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1cccs1 225123711 MJOVXGPUXSBXOZ-UHFFFAOYSA-N 404.307 3.269 0 40 HGAB CC[C@H](C(=O)Nc1cccc(C(=O)OC)c1C)N(c1cccc(C)c1)S(C)(=O)=O 220508760 QPSNWZZUSISMLO-LJQANCHMSA-N 418.515 3.273 0 40 HGAB C[C@H](NC(=O)CN(c1ccccc1Cl)S(C)(=O)=O)c1ccc2c(c1)CCC2 223166949 YJKWATGQUOEBDK-AWEZNQCLSA-N 406.935 3.472 0 40 HGAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H]1CCCN(Cc2ccccc2)C1 225902062 JOYKHAQFMSMNLT-LJQANCHMSA-N 415.559 3.096 0 40 HGAB CCOC(=O)N1CCC(NC(=O)CN(C)c2nc3c(Cl)cccc3s2)CC1 77196776 IYZVXFMITZIWJQ-UHFFFAOYSA-N 410.927 3.123 0 40 HGAB O=C1[C@@H]2C[C@@H](CN2C(=O)C2CCOCC2)Oc2ccccc2N1Cc1ccccc1 96111968 GONNMMAZSNIXQO-FPOVZHCZSA-N 406.482 3.008 0 40 HGAB biogenic,in-vitro O=C(NC[C@H]1Cn2c(-c3ccc4c(c3)OCO4)cnc2CO1)Nc1ccc(F)cc1 96296355 HFOGZTLVPYUWMD-INIZCTEOSA-N 410.405 3.138 0 40 HGAB biogenic,in-vitro Nc1cc(/C=C/C(=O)N2CCN(Cc3ccccc3)CC2)ccc1Br 256051030 HLEUHCXNDIZPAQ-VQHVLOKHSA-N 400.320 3.389 0 40 HGAB CNC(=O)c1[nH]c([C@H]2CC[C@H](CNC(=O)C(C)C)CC2)nc1-c1ccc(OC)cc1 257274875 NMYYBTLSKDHPQV-JCNLHEQBSA-N 412.534 3.491 0 40 HGAB CO[C@H]1CC[C@H](C(=O)N2CCC[C@@H](Cn3nc(-c4cccs4)ccc3=O)C2)CC1 257314389 UWTARQCMGPDIPD-KZNAEPCWSA-N 415.559 3.416 0 40 HGAB S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2-c2ccncc2)N1C[C@H]1CCCO1 260925526 VAWSLDHIIGMQII-DUXKGJEZSA-N 405.527 3.419 0 40 HGAB CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N(C)c3ccccc3)C2)cc1 260737234 KMZZOIPNVBXZNJ-KRWDZBQOSA-N 402.516 3.149 0 40 HGAB Cc1c(N2C[C@H](C)O[C@](C)(C(F)F)C2)ncnc1N1C[C@@H](C)O[C@@](C)(C(F)F)C1 630094778 KVHDKGMUWFFJDQ-ALICBKBLSA-N 420.451 3.283 0 40 HGAB O=C1C[C@H](Sc2nnc3sc4ccccc4n23)C(=O)N1c1ccc2c(c1)OCO2 13638520 TYEMCMSXTNFOCU-HNNXBMFYSA-N 424.463 3.097 0 40 HGAB COc1ccc(NCC(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)c(OC)c1 15318885 QHPQAYNCAPKIIF-UHFFFAOYSA-N 421.379 3.354 0 40 HGAB Cc1ccc(S(=O)(=O)Cc2csc(NC(=O)c3ccn(C(F)F)n3)n2)cc1 19211156 AIENUZDZJJQGOJ-UHFFFAOYSA-N 412.443 3.269 0 40 HGAB CCN1CCN(C(=O)c2ccncc2)C[C@@H](Cc2cccc(-c3cccnc3)c2)C1=O 19527564 HARKLDMUCDZMFD-HSZRJFAPSA-N 414.509 3.307 0 40 HGAB COc1ccc(N2C[C@H](NC(=O)Cc3csc(-c4ccccc4)n3)CC2=O)cc1 19715105 DDUGPQHORDQLRB-MRXNPFEDSA-N 407.495 3.283 0 40 HGAB CC(=O)N(C)Cc1cc(N(C)C)nc([C@@H]2CCCCN2C(=O)CCc2ccccc2)n1 19753862 NAKSEVMCSRGDNV-NRFANRHFSA-N 423.561 3.207 0 40 HGAB CC(C)c1cc(C(F)(F)F)n2nc([C@H]3CCCN3C(=O)[C@@H]3CC(=O)N(C)C3)cc2n1 12230398 LYHQFBOLNJUQRN-IUODEOHRSA-N 423.439 3.013 0 40 HGAB Cc1cc(CN2CCc3c(nc(-c4ccncc4)[nH]c3=O)C2)c(C)n1-c1cccnc1 19567665 HAROTMMLVMDMBY-UHFFFAOYSA-N 412.497 3.193 0 40 HGAB CCOC(=O)c1ccc(N2CCN(C(=O)c3ccc(Br)s3)CC2)nc1 30436908 GAGIFQFIPJETNJ-UHFFFAOYSA-N 424.320 3.045 0 40 HGAB Cc1cccc(O[C@H](C)C(=O)N2CCC(Cn3nc4c(cc3=O)CCCC4)CC2)c1 1775986181 ZRKQZYVVEWUBHC-GOSISDBHSA-N 409.530 3.137 0 40 HGAB CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(NC(=O)c3ccccc3)C(=O)[C@@H]12 1064214 GLSORGRTUNRMGT-LMGFAJPXSA-N 408.457 3.398 0 40 HGAB O=C(Nc1c2c(nn1-c1ccccc1)C[S@@](=O)C2)c1ccc(Br)o1 4224640 NAYNJUCRLPNSDM-XMMPIXPASA-N 406.261 3.242 0 40 HGAB COc1ccc(CCN2C(=O)[C@@H](C(=O)O)[C@H]3C[C@]2(C)Oc2ccccc23)cc1OC 4770682 HROGDGHGXBIPPD-GRWTVWFQSA-N 411.454 3.072 0 40 HGAB COc1ccccc1NC(=O)CSc1nccn(-c2ccc(F)c(F)c2)c1=O 4853326 TXEKDKTYROSVPU-UHFFFAOYSA-N 403.410 3.250 0 40 HGAB COc1ccc(S(=O)(=O)NC[C@H](c2cccc3ccccc23)N(C)C)cc1OC 10335631 OKSRYIOXZRWGHE-HXUWFJFHSA-N 414.527 3.438 0 40 HGAB COc1ccc(CCC(=O)N2CCN(c3nccn3-c3ccc(C)cc3)CC2)cc1 11695672 RHHZCSGJIRMVAO-UHFFFAOYSA-N 404.514 3.471 0 40 HGAB CCCS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)c3cccs3)cc21 15781357 XKPZJPNEGCGXNZ-UHFFFAOYSA-N 400.547 3.041 0 40 HGAB COC(=O)c1ccc(C(=O)N2[C@H]3CC[C@H]2CC(S(=O)(=O)c2ccccc2)C3)cc1 101323089 CILXXCFVXYIHLN-ROUUACIJSA-N 413.495 3.083 0 40 HGAB Cc1nc2sc([C@@H](c3ccccc3Cl)N3CCC4(CC3)OCCO4)c(O)n2n1 36066091 AIFSJPIVKHAYBH-OAHLLOKOSA-N 420.922 3.387 0 40 HGAB CCN(CC)CCn1c(NC(=O)[C@@H]2CCCN(c3cnccn3)C2)nc2ccccc21 40071334 LKGJBBNLUPCPFN-GOSISDBHSA-N 421.549 3.023 0 40 HGAB CCN(CC)Cc1ccc(C(=O)N2CCN(c3ccc(Br)cn3)CC2)o1 40121950 GENUNYQBVABLEN-UHFFFAOYSA-N 421.339 3.241 0 40 HGAB Cn1c(SCC(=O)Nc2nccs2)nnc1-c1ccc(Br)cc1 686662 XQBGZDDADYAFCC-UHFFFAOYSA-N 410.322 3.432 0 40 HGAB Cc1cc(Br)ccc1NC(=O)CSc1nnc(-c2ccco2)n1N 2422007 HXUBXRRBZDGVDR-UHFFFAOYSA-N 408.281 3.054 0 40 HGAB CCOC(=O)c1ccc(NC(=O)COC(=O)c2ccc(OC(C)C)c(OC)c2)cc1 3296226 OKGMOTCIPSLZIV-UHFFFAOYSA-N 415.442 3.455 0 40 HGAB COC(CN/C=C1/C(=O)N(c2cccc(C(F)(F)F)c2)C(=O)c2ccccc21)OC 3342971 FCDZRSBZLAAGOT-GZTJUZNOSA-N 420.387 3.442 0 40 HGAB COc1ccc(-c2nnc(SCC(=O)Nc3ccc(OC)c(OC)c3)o2)cc1 3593032 MSWGRZCBJRIYDG-UHFFFAOYSA-N 401.444 3.493 0 40 HGAB CC(C)(C)N1C(=O)c2ccccc2NC(=O)N1CCCN1C(=O)c2ccccc2C1=O 4109980 ZLPWQRXJWWLPJZ-UHFFFAOYSA-N 420.469 3.376 0 40 HGAB CCn1c(SCC(=O)N2CCN(c3ccccc3)CC2)nnc1-c1ccccc1 4269227 SJXBHQLOIDBWJK-UHFFFAOYSA-N 407.543 3.406 0 40 HGAB CC(=O)c1cccc(NC(=O)[C@@H](C)OC(=O)C[C@H]2Sc3ccccc3NC2=O)c1 4539805 XNJHLOJFCMQTTR-FZKQIMNGSA-N 412.467 3.263 0 40 HGAB O=C(CS(=O)(=O)c1ccccc1)Nc1nnc(Cc2ccc(Cl)cc2)s1 4777216 ARCRUDLXTRDHTC-UHFFFAOYSA-N 407.904 3.195 0 40 HGAB CC(C)(C)NC(=O)[C@@H](c1ccccn1)N(C(=O)c1csnn1)c1ccccc1F 4858779 HKMDGSTVQUDCFP-QGZVFWFLSA-N 413.478 3.375 0 40 HGAB COc1ccc(OC)c(NC(=O)c2ccc(C)c(N3CCCCS3(=O)=O)c2)c1 5135876 XLIIJCRCGUMDOM-UHFFFAOYSA-N 404.488 3.195 0 40 HGAB COc1ccc(OC)c(NC(=O)C2=C(C)NC(=S)N[C@H]2c2ccc(F)cc2)c1 5500297 QORIWTCAZOHNFG-SFHVURJKSA-N 401.463 3.274 0 40 HGAB CCCCCNC(=O)CN1CC[C@@]2(O)CCCC[C@@H]2[C@@H]1c1ccc(O)c(OC)c1 6264167 COYIMEITIZUVMK-LEOXJPRUSA-N 404.551 3.375 0 40 HGAB biogenic CC[C@@H](Oc1ccccc1)C(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 6928248 OGIPZPALCHIIRC-LJQANCHMSA-N 422.934 3.031 0 40 HGAB CCCCNC(=O)CSc1nc2ccccc2c(=O)n1CCCN(CC)CC 8343047 WYJZHNAQRWDNIZ-UHFFFAOYSA-N 404.580 3.137 0 40 HGAB C[C@@H]1C=CC[C@@H]2C(=O)N(c3cccc(C(=O)Nc4ccccc4C(=O)O)c3)C(=O)[C@@H]21 8470309 LRNPJAWJMANISB-XVGQJIODSA-N 404.422 3.339 0 40 HGAB COc1ccc(NC(=O)CSc2nnc(NC(=O)c3ccco3)s2)cc1OC 8823265 JZIFNXOOGJBCIS-UHFFFAOYSA-N 420.472 3.131 0 40 HGAB CN(C)[C@H](CNC(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1)c1ccsc1 8863671 BCCFFJCXRXMGPK-CQSZACIVSA-N 401.410 3.004 0 40 HGAB COc1ccc(OC)c(NC(=O)[C@@H]2C[C@H](C(C)C)N[C@@]23C(=O)Nc2ccc(C)cc23)c1 9042710 GDXJQZFJTRLPIA-RGZWJVDOSA-N 423.513 3.432 0 40 HGAB O=C(CN1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O)Nc1ccc(O)cc1 9371600 KJZLZDFVQJXCQL-MXXWWZHRSA-N 424.456 3.223 0 40 HGAB Cc1ccc(-n2nc3c(c2NC(=O)c2c(F)cccc2F)CS(=O)(=O)C3)cc1C 9391560 QXHIPKAKGLINAH-UHFFFAOYSA-N 417.437 3.448 0 40 HGAB COC(=O)c1sccc1NC(=O)COCc1cc(-c2ccc3c(c2)OCO3)on1 9436173 CNHVVBXTVIVULV-UHFFFAOYSA-N 416.411 3.074 0 40 HGAB COc1ccc(Cn2nnnc2SCC(=O)Nc2ccccc2N2CCCC2)cc1 9847319 AHZKOXHIIHWWCJ-UHFFFAOYSA-N 424.530 3.061 0 40 HGAB NC(=O)c1cc(Cl)ccc1OCC(=O)Nc1ccnn1Cc1cccc(Cl)c1 11190223 NCBHXLRPQVPIER-UHFFFAOYSA-N 419.268 3.355 0 40 HGAB O=C(COc1ccccc1)Nc1ccc2c(c1)CN(S(=O)(=O)c1ccccc1)CC2 11613120 QOUHOSSFJDSYPM-UHFFFAOYSA-N 422.506 3.451 0 40 HGAB CCCc1ccc(C(=O)N2CCC3(CC2)C[C@@]2(CO3)NC(=O)c3ccccc3N2)o1 12085489 OVAHPEFMKZKWEZ-QHCPKHFHSA-N 409.486 3.179 0 40 HGAB CCCOc1ccc([C@H]2NC(=O)NC3=C2C(=O)N(Cc2ccc(OC)cc2)C3)cc1 12347086 CLBMDJSOCIJZHW-OAQYLSRUSA-N 407.470 3.134 0 40 HGAB O=C(CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1 12522322 WSSCDLCUFWYAEO-GJZGRUSLSA-N 421.419 3.195 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)OCCCc1cccnc1 12543957 WMMKSIHKZRACMN-UHFFFAOYSA-N 402.516 3.354 0 40 HGAB O=C1O[C@@H](N2C(=O)CC[C@H]2C(=O)Nc2cccc(Br)c2)c2ccccc21 12661815 QIKOPFVPNXXYQU-MAUKXSAKSA-N 415.243 3.248 0 40 HGAB biogenic Cc1nn(-c2ccccc2)c(C)c1C(=O)NC[C@@H](c1cccs1)N1CCOCC1 12783657 JIGFQUHWPQBSMB-IBGZPJMESA-N 410.543 3.354 0 40 HGAB COc1cc(/C=C/C(=O)NC2(c3noc(C)n3)CCCCC2)cc(OC)c1OC 12884967 BDGMNKRYTYFKKH-CMDGGOBGSA-N 401.463 3.393 0 40 HGAB CON(C)S(=O)(=O)c1cc(C(=O)Nc2cccc3ncccc23)ccc1Cl 14184502 PCYQBSYXOFEVML-UHFFFAOYSA-N 405.863 3.322 0 40 HGAB O=C(CSCC(=O)Nc1cccc(C(=O)NC2CC2)c1)Nc1ccc(F)cc1 14198802 XULYPZDYVRTXES-UHFFFAOYSA-N 401.463 3.028 0 40 HGAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2F)cc1Cl 16692749 PPDLPNUFQCOWTK-UHFFFAOYSA-N 400.859 3.137 0 40 HGAB COC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)CN1C[C@H](C)O[C@@H](C)C1 17087341 OAPSLAYULSKYOI-STQMWFEESA-N 406.479 3.389 0 40 HGAB C[C@H](NC(=O)C1CCN(C(=O)c2cccs2)CC1)c1ccc(-n2cncn2)cc1 18159356 PXHWEQSLDYRDMP-HNNXBMFYSA-N 409.515 3.058 0 40 HGAB CC(C)C(=O)N1CCC[C@@H](c2cc3nc4c(c(O)n3n2)CN(C2CCCC2)CC4)C1 19085502 YSXNOAKFEUXACK-MRXNPFEDSA-N 411.550 3.098 0 40 HGAB COc1cc(C(=O)NCCn2c(C(F)(F)F)cc(=O)c3cc(C)ccc32)ccn1 19219989 GHDBHWISUKQAIF-UHFFFAOYSA-N 405.376 3.162 0 40 HGAB Cc1csc2ncc(C(=O)N3CCC[C@@H](COc4ccc(F)cc4)C3)c(=O)n12 19240349 TVHAAYGZNBYGBG-CQSZACIVSA-N 401.463 3.135 0 40 HGAB NC(=O)[C@]1(Cc2cccc(-c3cccc(F)c3)c2)CCCN(C(=O)[C@@H]2CCCO2)C1 19331294 YBAKTSRBAJDWGF-URXFXBBRSA-N 410.489 3.308 0 40 HGAB CCCN1CCN(Cc2ncc[nH]2)C[C@@H](Cc2ccccc2-c2ccncc2)C1=O 19503338 WXCQSQPRXWMRFS-OAQYLSRUSA-N 403.530 3.385 0 40 HGAB COC(C)(C)C(=O)N1CCC[C@@H]1c1nc(C)c2c(n1)N(Cc1ccccc1)C(=O)CC2 19742015 PCNBFRTZGRHXQQ-LJQANCHMSA-N 422.529 3.353 0 40 HGAB COc1ccc(NC(=O)c2cnc([C@H]3CCN(Cc4cccnc4)C3)nc2C)cc1 19759162 DJZIYKYZVHFVCX-SFHVURJKSA-N 403.486 3.430 0 40 HGAB CCOC(=O)c1ccc2[nH]c(C)c(CN3CCN(c4ccccc4)CC3)c(=O)c2c1 19793725 ZHMLGPOEMLSGSS-UHFFFAOYSA-N 405.498 3.335 0 40 HGAB CCOC(=O)[C@@](NC(=O)c1ccc(OC)cc1)(NC1CCCCC1)C(F)(F)F 20032623 MJDFMQGFFHUTDK-SFHVURJKSA-N 402.413 3.169 0 40 HGAB CCOC(=O)[C@@](NCCc1ccccc1)(NC(=O)c1ccc(OC)cc1)C(F)(F)F 20609065 OWYHNKSYRBIRFR-HXUWFJFHSA-N 424.419 3.079 0 40 HGAB biogenic COc1cc2c(cc1OC)C(=O)[C@@H](S(=O)(=O)c1ccc(Br)cc1)C2 20725076 ZOGRZAKAJBITJN-INIZCTEOSA-N 411.273 3.048 0 40 HGAB C[C@@H](OC(=O)c1cccnc1SC(F)F)C(=O)Nc1ccc2c(c1)OCCO2 22900446 AVFHNDIOCXSVIC-SNVBAGLBSA-N 410.398 3.352 0 40 HGAB Cc1cc(NC(=O)[C@@H](Nc2ccc(NS(C)(=O)=O)cc2)c2ccccc2)no1 23628548 UQGHIJFQAQZRGU-SFHVURJKSA-N 400.460 3.146 0 40 HGAB O=C(O)c1cc2c(cc1NS(=O)(=O)c1ccccc1C(F)(F)F)OCCCO2 23873089 UPWFDRFUSCYXRZ-UHFFFAOYSA-N 417.361 3.366 0 40 HGAB CC(C)(C)OC(=O)NC1(CNC(=O)c2cccc(S(C)(=O)=O)c2)CCCCCC1 24494346 IKGCHKDTJGGUDK-UHFFFAOYSA-N 424.563 3.438 0 40 HGAB C[C@H](C(=O)Nc1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1)n1cncn1 24576488 HVBPRLULGKRYOA-OAHLLOKOSA-N 421.482 3.432 0 40 HGAB C[C@@H](NC(=O)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1)c1ccccc1 24610238 LJILZLZBGWPMFI-MRXNPFEDSA-N 404.507 3.245 0 40 HGAB CC(C)(C)SCCNC(=O)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1 24612723 XICPEAGPOUZTRP-UHFFFAOYSA-N 416.584 3.015 0 40 HGAB CC(C)N1CCC(NC(=O)c2ccc(CN3C(=O)c4ccccc4C3=O)cc2)CC1 24750963 FUTMDBFOEAGSPU-UHFFFAOYSA-N 405.498 3.085 0 40 HGAB C[C@H](OC(=O)CCC(=O)c1ccc2c(c1)OCCO2)C(=O)N(C)Cc1ccccc1 24984412 XUKSIAUZSQKFIQ-INIZCTEOSA-N 411.454 3.011 0 40 HGAB COc1ccc([C@@H]2CCCN2C(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)cc1 27153713 YBMWPQWTLSHKOM-JPLJXNOCSA-N 403.548 3.085 0 40 HGAB CC(=O)N[C@H](C(=O)Nc1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1)C(C)C 27736712 HWWNFTRLRNOGEX-SFHVURJKSA-N 423.922 3.240 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)CN(C)[C@H]2CCc3ccccc32)cc1 29482828 HHUMPMTVYBLUSV-NRFANRHFSA-N 415.559 3.275 0 40 HGAB CCOC(=O)[C@@H]1CCCN(C(=O)Cn2c(COc3ccccc3)nc3ccccc32)C1 29900091 FVLRTHNGOQIGOG-GOSISDBHSA-N 421.497 3.417 0 40 HGAB O=C1c2ccccc2C(=O)N1CCC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 32721394 LFHZLQPQMCTMOU-LJQANCHMSA-N 420.465 3.198 0 40 HGAB COC(=O)c1c(C)nc(C2CC2)nc1SCC(=O)NCCc1ccc(F)cc1 32752953 RHGAMZNZDPWHSL-UHFFFAOYSA-N 403.479 3.039 0 40 HGAB CC(C)c1ccc(C(=O)N2CCN(C[C@@H](O)COCc3cccs3)CC2)cc1 32772175 PCHFEYRGGLOZNU-HXUWFJFHSA-N 402.560 3.207 0 40 HGAB COc1cc(N2C[C@H](C(=O)Nc3ccc(F)c(F)c3F)CC2=O)cc(OC)c1OC 32796407 WAAHCGPFPGBCOQ-SNVBAGLBSA-N 424.375 3.121 0 40 HGAB Cc1ccc(-c2noc(COC(=O)c3ccc(CS(C)(=O)=O)cc3)n2)cc1F 32895861 LUZPNPZXFJYZOJ-UHFFFAOYSA-N 404.419 3.086 0 40 HGAB CCCN1CCC(NC(=O)[C@@H]2CC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)CC1 40120290 KPCPFFGCUKCMBH-MRXNPFEDSA-N 411.468 3.045 0 40 HGAB O=C(NCc1ccc(N2CCCCCC2)nc1)c1ccc(N2C(=O)CCC2=O)cc1 40122098 XCJDVCQQTVUEFX-UHFFFAOYSA-N 406.486 3.045 0 40 HGAB Cc1nccn1Cc1ccc(C(=O)NCc2ccccc2CN2CCCC2=O)cc1 44853831 JEGWLFNKRSGICI-UHFFFAOYSA-N 402.498 3.292 0 40 HGAB O=C(NCCc1ccc(OC(F)(F)F)cc1)C1CCN(C(=O)c2ccco2)CC1 48342464 JEFBVRSCQAHHMW-UHFFFAOYSA-N 410.392 3.389 0 40 HGAB CC(=O)Nc1ccc2c(COC(=O)[C@H]3Cc4cc(Cl)ccc4O3)cc(=O)oc2c1 52476095 WSRSNDAPVROGQD-LJQANCHMSA-N 413.813 3.452 0 40 HGAB Cc1c(NC(=O)c2cc(Cl)c3c(c2)OCO3)cccc1C(=O)N1CCOCC1 54262520 JERFYAYDELKJMD-UHFFFAOYSA-N 402.834 3.102 0 40 HGAB COc1cc(C)ccc1S(=O)(=O)Nc1ccc(I)cc1 54363343 DAPJZABKESVDLT-UHFFFAOYSA-N 403.241 3.409 0 40 HGAB O=C(N[C@H]1CCS(=O)(=O)C1)c1cccnc1Nc1ccc(Cl)c(Cl)c1 56389358 HNPPLKXTDQSSDI-NSHDSACASA-N 400.287 3.049 0 40 HGAB O=C1CN(CCC2=CCCCC2)[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Cl)cc1 56998226 VSQVLQZZWDLQOC-RTBURBONSA-N 408.951 3.045 0 40 HGAB CCN(Cc1nc2ccccc2c(=O)[nH]1)Cc1nc2sccn2c1Br 58281807 VVGQCSBMULZAJT-UHFFFAOYSA-N 418.320 3.417 0 40 HGAB O=C(O)Cc1ccc(NC(=O)c2cc3c([nH]c2=O)C[C@@H](c2ccccc2)CC3=O)cc1 64775545 BRJHQVOQDFMSSH-MRXNPFEDSA-N 416.433 3.167 0 40 HGAB COc1cc2c(cc1CNC(=O)Cn1cc(C(C)=O)c3ccccc31)OCCCO2 64987047 LHNYYCOIPHYYBZ-UHFFFAOYSA-N 408.454 3.330 0 40 HGAB O=C(c1n[nH]nc1Nc1ccccc1F)N1CCN(c2ccccc2Cl)CC1 67284444 GMJPCWZZJIOPGX-UHFFFAOYSA-N 400.845 3.303 0 40 HGAB CC(=O)N[C@@H]1CCCN(C(=O)c2cc3c(C)nn(Cc4ccc(F)cc4)c3s2)C1 71805001 AIUROLGEIMOVFW-QGZVFWFLSA-N 414.506 3.334 0 40 HGAB COC(=O)C[C@H](NC(=O)Nc1cccc(-c2nnc3n2CCC3)c1)c1cccs1 72280752 UYPBJMTUCVXCRH-HNNXBMFYSA-N 411.487 3.379 0 40 HGAB CC(C)CNC(=O)c1cc([C@@H]2CN(C(=O)c3ccccn3)CCO2)nc2ccccc12 72352686 HUJPZIOUSPEGME-QFIPXVFZSA-N 418.497 3.229 0 40 HGAB COc1ccccc1[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(C)C2=O)c1ccccc1 78667050 XHABLDVEGDUVEZ-NRFANRHFSA-N 400.434 3.440 0 40 HGAB CCCN1CCC(C(=O)N2CCC(C(=O)NCc3ccc(C)c(F)c3)CC2)CC1 78702643 GJLYBTJXXCCELD-UHFFFAOYSA-N 403.542 3.111 0 40 HGAB CCc1cc2oc(=O)cc(CN3CCC[C@H](C(=O)N4CCOCC4)C3)c2cc1Cl 95947238 LLGSYLLCXDLXIH-INIZCTEOSA-N 418.921 3.080 0 40 HGAB Cc1cc(C)cc(C(=O)N2CCC[C@@]3(CC(C(=O)N(C)Cc4ccccn4)=NO3)C2)c1 96225241 VPYHMPCJVLRJKM-XMMPIXPASA-N 420.513 3.108 0 40 HGAB CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCc1cc(Cl)c2c(c1)OCCO2 97000876 KYSPJGHWWUMJEY-HNNXBMFYSA-N 412.914 3.463 0 40 HGAB OC1(c2cccc(F)c2)C[C@@H]2CC[C@@H](C1)N2Cc1nnnn1CCc1ccccc1 100457211 UNFBKVWUKAUHCT-SFTDATJTSA-N 407.493 3.070 0 40 HGAB COc1cccc(C(=O)Oc2ccc(N3C(=O)[C@H]4[C@@H]5C=C[C@H]([C@H]6C[C@H]56)[C@H]4C3=O)cc2)c1 101000301 SLTBMMZTCUCZOM-ILHTXMRTSA-N 415.445 3.472 0 40 HGAB COc1cccc(NC(=O)c2cccc(NC(=O)[C@H]3[C@@H]4C[C@H]5OC(=O)[C@H]3[C@H]5C4)c2)c1 101181092 KUJQXIDRWVCJCT-WUTPFUBCSA-N 406.438 3.084 0 40 HGAB Cc1ccc(N2C(=O)[C@H]3N=NN(Cc4nc(-c5ccccc5Cl)no4)[C@H]3C2=O)cc1 101271693 GNRGZWFXBXOTDN-DLBZAZTESA-N 422.832 3.192 0 40 HGAB COc1ccc([C@@H](C)NC(=O)c2ccc3c(c2)C[C@@H](C)N3S(C)(=O)=O)cc1F 103935224 RRPGQVMQCHHQKT-CHWSQXEVSA-N 406.479 3.036 0 40 HGAB COc1ccc(S(=O)(=O)NCc2ccc(F)cc2)cc1C(=O)N1CCCCCC1 113939676 NGWAASDLIYWOPS-UHFFFAOYSA-N 420.506 3.329 0 40 HGAB COc1ccc(Cl)cc1N([C@@H](C)C(=O)NCCSC(C)(C)C)S(C)(=O)=O 113941586 DEIFNWVTEXLXSM-LBPRGKRZSA-N 423.000 3.151 0 40 HGAB CNC(=O)c1ccnc2c([C@H](C)CNc3cc(-c4cnc(C)nc4)ncn3)cccc12 205263293 PEACIOGDEQRHFA-CQSZACIVSA-N 413.485 3.365 0 40 HGAB COC[C@]1(N)[C@@H](S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1ccc(Br)cc1 218232334 ATAKWQYDVDUMEY-OKZBNKHCSA-N 410.333 3.041 0 40 HGAB CC(=O)N1CCCc2cc(S(=O)(=O)NCCOc3cccc4ccccc34)ccc21 223572292 NLMANILXJJIEDR-UHFFFAOYSA-N 424.522 3.496 0 40 HGAB C[C@H](Oc1cccc2c1CCCC2)C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 225650044 XSTCSVUSEOSDIB-SFHVURJKSA-N 422.525 3.406 0 40 HGAB COc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc[nH]1 225660054 BCZKCKGNIZNFDN-RTWAWAEBSA-N 421.526 3.420 0 40 HGAB CCOC(=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)sc(=O)n3CC)c1C 225692783 RKNOSURZIQSTAM-UHFFFAOYSA-N 420.512 3.369 0 40 HGAB CC[C@@H](NS(=O)(=O)c1ccc2c(c1)CCN2C(C)=O)c1ccc(OC)c(C)c1 225742811 OGKZCEJZGJFNNV-LJQANCHMSA-N 402.516 3.342 0 40 HGAB O=C(c1ccc(F)c(Cl)c1)N1CCN(c2nccn3nc4c(c23)CCCC4)CC1 225743269 WVIMLUBFRSEXRF-UHFFFAOYSA-N 413.884 3.363 0 40 HGAB COC(=O)c1cccc(NC(=S)NCc2ccc(OC3CCN(C)CC3)cc2)c1 225773138 VUEYAWBOEMXYEH-UHFFFAOYSA-N 413.543 3.433 0 40 HGAB COC[C@]1(C(=O)O)[C@H](c2ccc(OC)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 242548096 LCJXROGQBPWZLQ-LMMKCTJWSA-N 410.875 3.006 0 40 HGAB CCc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)[C@]2(COC)C(N)=S)cc1 252514834 FARKNSCSKHTFEJ-SVFBPWRDSA-N 403.569 3.416 0 40 HGAB CN(C)c1ccc(NS(=O)(=O)c2cccc(N3C(=O)c4ccccc4C3=O)c2)cc1 408722197 RHTYDDKLTUNLIP-UHFFFAOYSA-N 421.478 3.354 0 40 HGAB Cc1cc(C)c(C)c([C@H]2c3c(n(C)c(=O)n(C)c3=O)N=C3c4ccccc4C(=O)[C@H]32)c1 408733435 JGGJSPHOYSXGJJ-MOPGFXCFSA-N 413.477 3.088 0 40 HGAB CCOC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1cc(OC)ccc1OC 408997296 DXCRFQBFBGXYSX-LJQANCHMSA-N 411.458 3.481 0 40 HGAB COc1ccccc1NC(=O)/C=C/c1ccc(CNS(=O)(=O)c2ccccc2)o1 409196212 XPMCVUYNKHDUIZ-BUHFOSPRSA-N 412.467 3.419 0 40 HGAB COc1ccc(CC(=O)NCc2nnc(SCc3ccc(F)cc3)n2C)cc1 409340352 VRVSFJNJLZLBPD-UHFFFAOYSA-N 400.479 3.114 0 40 HGAB Cc1ccc(CNC(=O)C(=O)NC[C@@H]2CCN(C3CC3)C2)c(O[C@H](C)CC(C)C)c1 551280432 NTOXYSFDCDBGND-MOPGFXCFSA-N 415.578 3.025 0 40 HGAB Cc1ccccc1S(=O)(=O)N1CCC2(CC1)CO[C@@H](CN1CCC[C@H](C)C1)C2 585103133 DNEQXRQMXJZJHX-AZUAARDMSA-N 406.592 3.287 0 40 HGAB O=C(/C=C/c1cccs1)N1CCC2(CC1)CN(C(=O)c1ccsc1)CCO2 1565555808 PSPBGZIWGCCQET-ONEGZZNKSA-N 402.541 3.357 0 40 HGAB Cc1ccn(CCC(=O)N2CCO[C@H](c3cccc(Nc4ncc(C)s4)n3)C2)n1 2037834645 YODYCIBYFNUPEG-KRWDZBQOSA-N 412.519 3.085 0 40 HGAB Cc1nc(CN2CCC[C@@]3(CCCN(C(=O)c4c(C)nn(C)c4C)C3)C2)cs1 2056224551 UZKBQFIOSKMOQY-OAQYLSRUSA-N 401.580 3.320 0 40 HGAB COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1OC 802976 IJJLPVXUMKUWGW-UHFFFAOYSA-N 416.455 3.028 0 40 HGAB CC(C)(C)C(=O)N(CC(=O)Nc1sc2c(c1C(N)=O)CCCC2)C1CCCC1 1368312 FNACHFNMOQUYPW-UHFFFAOYSA-N 405.564 3.482 0 40 HGAB C[C@@H](OC(=O)/C=C/c1ccc(Br)o1)C(=O)Nc1ccc2c(c1)OCCO2 3335677 RSGDTCNWBAIICD-TZOMUSMUSA-N 422.231 3.397 0 40 HGAB C[C@@H](NC(=O)c1ccco1)C(=O)Nc1nnc(SCc2ccc(F)cc2)s1 3345153 JLAIPZJDXUHMMI-SNVBAGLBSA-N 406.464 3.320 0 40 HGAB Cc1cccc(C(=O)Nc2ccccc2C(=O)OCC(=O)N2C[C@H](C)O[C@@H](C)C2)c1 3488836 VDRGKTIGRBAZAG-IRXDYDNUSA-N 410.470 3.040 0 40 HGAB COCCn1c(SCC(=O)NCc2ccc(OC)c(OC)c2)nc2ccccc21 3499074 BDHGRKFKEIVUTG-UHFFFAOYSA-N 415.515 3.108 0 40 HGAB Cc1c(C(=O)OCC(=O)NC(=O)NC(C)(C)C)oc2ccc(Br)cc12 3533054 FUZGTOXVUXKKNH-UHFFFAOYSA-N 411.252 3.285 0 40 HGAB COCCn1c(SCC(=O)N2CCC[C@H](C)C2)nc2sc(C)c(C)c2c1=O 4188124 BQLOODQRDGDXEH-LBPRGKRZSA-N 409.577 3.072 0 40 HGAB CCN(CC)c1ccc(NC(=O)CCN2C(=O)c3ccccc3S2(=O)=O)c(C)c1 4330260 DPNSWMRDXMTNAY-UHFFFAOYSA-N 415.515 3.015 0 40 HGAB O=C1CC2(CCN(C(=O)[C@H]3CC(=O)N(c4ccc(F)cc4)C3)CC2)Oc2ccccc21 4505646 XFYVBHYJDBKUTB-INIZCTEOSA-N 422.456 3.205 0 40 HGAB CCOC(=O)c1nn(-c2ccccc2)c(=O)cc1OCC(=O)Nc1cccc(C)c1C 4853588 KQTQARPWJVIATH-UHFFFAOYSA-N 421.453 3.044 0 40 HGAB O=S(=O)(NCCc1csc2ncnn12)c1ccc(Oc2ccccc2)cc1 5452074 XKBNUMGIFGKLOH-UHFFFAOYSA-N 400.485 3.104 0 40 HGAB Cc1ccc(-c2cc(C(F)(F)F)nc(SCC(=O)N3CCN(C)CC3)n2)cc1 6032605 WMBQMJGCFAQLNS-UHFFFAOYSA-N 410.465 3.337 0 40 HGAB COc1ccc(/C=C2/SC(=O)N(CCNC(=O)CCc3ccccc3)C2=O)cc1 6457578 KCBLVZZMAWVSBP-XDJHFCHBSA-N 410.495 3.481 0 40 HGAB C[C@H](CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)c1ccccc1 7016123 QXAPWJIDMMHYCM-OAHLLOKOSA-N 422.934 3.493 0 40 HGAB C[C@@H](C(=O)Nc1ccc(Br)cc1)N(C)CC(=O)Nc1cccc(F)c1 7267274 BVLSHSSQQCUNIU-LBPRGKRZSA-N 408.271 3.486 0 40 HGAB O=C(NCCSCc1ccccc1)c1cccc(S(=O)(=O)N2CCCC2)c1 7281010 WOYBQWKAJJYUON-UHFFFAOYSA-N 404.557 3.134 0 40 HGAB Cc1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc4ccccc4c3)C2=O)c(O)c1 8378552 OLXZVLAMTGDOJI-QHCPKHFHSA-N 403.438 3.260 0 40 HGAB CC(C)[C@H](NC(=O)CSc1nnc2ccccn12)c1ccc2c(c1)OCCCO2 8528580 OKDYWEFECPTOFY-FQEVSTJZSA-N 412.515 3.496 0 40 HGAB CCSc1nc(NCC(C)C)c2cnn(CCNC(=O)Cc3cccs3)c2n1 8948995 MUGHWKNROLOVCD-UHFFFAOYSA-N 418.592 3.427 0 40 HGAB COc1cccc(NC(=O)Cn2c3ccccc3c3nc4n(c(=O)c32)CCCS4)c1 8974947 AJFWAQWWMYFGPI-UHFFFAOYSA-N 420.494 3.494 0 40 HGAB Cc1cccc(CN2CCC(C(=O)Nc3cccc(N(C)S(C)(=O)=O)c3)CC2)c1 9063043 QXTZOWZBYWHVMK-UHFFFAOYSA-N 415.559 3.242 0 40 HGAB COc1ccccc1N1CCN(C(=O)C2CCN(Cc3ccc(F)cc3)CC2)CC1 9063573 KSFLHGUPGACEJF-UHFFFAOYSA-N 411.521 3.395 0 40 HGAB CCNC(=O)NC(=O)[C@H](C)Sc1nc2ccc(Cl)cc2c(=O)n1CC(C)C 9091477 IBMSTZNETWVLGK-NSHDSACASA-N 410.927 3.032 0 40 HGAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CNc1cccc2c1CCCC2 9220510 FWWQAZHHRNZUDH-UHFFFAOYSA-N 401.532 3.175 0 40 HGAB COC(=O)N1CCc2c(sc(NC(=O)Cc3cccc4ccccc34)c2C(N)=O)C1 9325328 VCDBEAWTAVHQFC-UHFFFAOYSA-N 423.494 3.306 0 40 HGAB Cc1c(Cl)cccc1N1C(=O)[C@H]2[C@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 9358147 QYKFPSKFNDXJHN-GKAYAJSDSA-N 421.884 3.080 0 40 HGAB CCc1ccc(S(=O)(=O)NCCn2nc(-c3ccc(Cl)cc3)ccc2=O)s1 9661061 QPRCWNYKMWHAAF-UHFFFAOYSA-N 423.947 3.166 0 40 HGAB CCOC(=O)c1c(NC(=O)CNc2ccc(C)cc2F)sc(C(=O)NC)c1C 9836621 KDZGCPREAVCIOP-UHFFFAOYSA-N 407.467 3.091 0 40 HGAB CCOC(=O)c1cccc(NC(=O)CN(c2ccc(C)c(Cl)c2)S(C)(=O)=O)c1 10441080 WPNCZPWNIPBKSW-UHFFFAOYSA-N 424.906 3.230 0 40 HGAB COc1cc(NC(=O)[C@@H](C)OC(=O)c2nc(SC)ncc2Cl)cc(OC)c1 11573260 JRTUMHVJARIIHG-SECBINFHSA-N 411.867 3.053 0 40 HGAB Cc1ccc(-c2cc3c(=O)n(CC(=O)N4CCCc5ccccc54)ncn3n2)cc1C 11666407 LVCVJZOMSXMWQI-UHFFFAOYSA-N 413.481 3.154 0 40 HGAB CCS(=O)(=O)N1CCCc2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc21 12180489 WAGCQVSMJKYLLQ-UHFFFAOYSA-N 414.936 3.243 0 40 HGAB Cc1cnc(-c2nc([C@H]3CCCN(C(=O)[C@H](C)Oc4ccc(F)cc4)C3)no2)cn1 12187800 UIEMIIQDSYPBAN-GJZGRUSLSA-N 411.437 3.148 0 40 HGAB CCCn1cc(C(=O)N2CCC[C@H](c3nc4ccccc4cc3C(N)=O)C2)c(C)n1 12242270 BHWLTAFMXKQCCT-KRWDZBQOSA-N 405.502 3.268 0 40 HGAB COc1cccc(CN2CCC(c3cc(O)nc(-c4cnccn4)n3)CC2)c1OC 12329991 CSTYEMOBNOIDPJ-UHFFFAOYSA-N 407.474 3.036 0 40 HGAB CC(=O)N1Cc2ccccc2OC2(CCN(CC(=O)N3[C@@H](C)CCC[C@H]3C)CC2)C1 12365542 FBFUYRSMRPPPEN-KDURUIRLSA-N 413.562 3.052 0 40 HGAB CCOc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccc(F)cc4F)ccn3n2)cc1 12414479 GQIDCTNDVSFBEJ-UHFFFAOYSA-N 424.407 3.479 0 40 HGAB O=C(C[S@@](=O)CC(=O)Nc1cnc2ccccc2c1)Nc1ccc(Cl)cc1 12470778 GZVOBGFAOGEKOW-MHZLTWQESA-N 401.875 3.214 0 40 HGAB CC(C)c1cccc(N2C[C@H](C(=O)Nc3ccc(NS(C)(=O)=O)cc3)CC2=O)c1 12526459 QRSCFWQAYVGQLC-MRXNPFEDSA-N 415.515 3.173 0 40 HGAB CCOC(=O)C1=C(CN(C)Cc2ccccc2N2CCCCC2)NC(=O)N[C@@H]1CC 12637114 AZKYCFYVAZYGNW-GOSISDBHSA-N 414.550 3.017 0 40 HGAB Cc1ccc(C(=O)NCC(=O)Nc2nc(CN3CCC[C@@H](C)C3)cs2)cc1C 12792846 ZZTFOGNBWOGQDU-CQSZACIVSA-N 400.548 3.360 0 40 HGAB O=C(NC1CCN(C(=O)/C=C/c2cnn(-c3ccccc3)c2)CC1)c1ccccc1 12993866 NWETYGQYOLVECD-VAWYXSNFSA-N 400.482 3.307 0 40 HGAB COc1ccc(-c2nnc(S)n2CC(=O)NCCc2ccc(Cl)cc2)cc1 12999487 MINGMKCGKLCGKB-UHFFFAOYSA-N 402.907 3.255 0 40 HGAB O=C1CSc2ccc(C(=O)N3CCN(Cc4ccc(Cl)cc4)CC3)cc2N1 13039763 QKPCIOFVKLCJFG-UHFFFAOYSA-N 401.919 3.342 0 40 HGAB COCCNC(=S)N(Cc1cccs1)Cc1cc2cccc(C)c2[nH]c1=O 13555017 LNXARVBHNZSENW-UHFFFAOYSA-N 401.557 3.421 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)N1CCc2ccccc21 13671080 JZKAIBDMKPNGMJ-UHFFFAOYSA-N 414.527 3.463 0 40 HGAB C[C@H](NC(=O)CCc1nc(-c2ccsc2)no1)c1ccc(S(C)(=O)=O)cc1 14198371 CIFXREGTYXMGOH-LBPRGKRZSA-N 405.501 3.012 0 40 HGAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccc(Br)s1 14697198 SEQBEOPRGGTFAD-UHFFFAOYSA-N 419.322 3.022 0 40 HGAB CCCCCC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1 14912786 OCHCOMHBBYIASU-UHFFFAOYSA-N 423.579 3.217 0 40 HGAB Fc1ccc([C@H](c2nnnn2C2CCCC2)N2CCN(Cc3ccncc3)CC2)cc1 19332619 OKSSFSWDJNGFKE-JOCHJYFZSA-N 421.524 3.230 0 40 HGAB COc1ccc(CN(Cc2cccnc2)S(=O)(=O)c2cnn(C(F)F)c2C)cc1 19553039 ITYHTULCYVOQIX-UHFFFAOYSA-N 422.457 3.381 0 40 HGAB COc1ccc2c(c1)OC1(CCN(C[C@@H](O)c3ccc(F)c(F)c3)CC1)C[C@H]2O 19563020 BAGWHZIHWFDRKW-WOJBJXKFSA-N 405.441 3.358 0 40 HGAB CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(F)c(F)c3)C2)cc1 20017337 LAMYSQMPLTVWDV-AWEZNQCLSA-N 424.469 3.403 0 40 HGAB CCOc1ccc(OCCNC(=O)CCc2cc(OC)c(OC)c(OC)c2)cc1 21928256 VGEQIEHHVRAZCB-UHFFFAOYSA-N 403.475 3.239 0 40 HGAB CCN(Cc1ccc(OC)c(OC)c1)C(=O)CCC(=O)N1CCC(c2ccccc2)=N1 21934523 WFCHNXBKEMXTJZ-UHFFFAOYSA-N 423.513 3.469 0 40 HGAB O=S(=O)(c1ccc2c(c1)OCCCO2)N(Cc1cccnc1)Cc1ccco1 22834355 ASLVBWBUMPDFPE-UHFFFAOYSA-N 400.456 3.227 0 40 HGAB COc1ccc2sc(N(CCN3CCOCC3)C(=O)c3cccc(F)c3)nc2c1 22998342 KMEVWGSVGFXQCS-UHFFFAOYSA-N 415.490 3.423 0 40 HGAB Cc1nc(C2(NC(=O)CCn3cnc4sc(C)c(C)c4c3=O)CCCCC2)no1 23508763 LVWCOQYBUPAADT-UHFFFAOYSA-N 415.519 3.132 0 40 HGAB CCOC(=O)C1=C(CNCc2cccs2)NC(=O)N[C@@H]1c1ccccc1Cl 23805680 YRLCJHRCTQXCRZ-QGZVFWFLSA-N 405.907 3.362 0 40 HGAB O=C1O[C@@H](CC(=O)N2CCN(Cc3nc4ccccc4s3)CC2)c2ccccc21 23873361 GEAZFTFZCFFIOZ-SFHVURJKSA-N 407.495 3.242 0 40 HGAB COCCOc1cc(NC(=O)Cn2c(-c3cccs3)n[nH]c2=S)ccc1OC 25225739 XEDTYACRIXSFNE-UHFFFAOYSA-N 420.516 3.342 0 40 HGAB Cc1noc2nc(C3CC3)cc(C(=O)NCc3ccc(CN4CCOCC4)cc3)c12 29717200 STMMAMCGDHUNQR-UHFFFAOYSA-N 406.486 3.171 0 40 HGAB CC[C@@H](NC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C)c1ccccc1 30859595 SHZUDRZBHPLJNC-LJQANCHMSA-N 403.548 3.184 0 40 HGAB CC(C)NC(=O)NCc1ccc(C(=O)N(C)CC(=O)Nc2ccc(Cl)cc2)cc1 31568495 GTXSOTAIZPZNGQ-UHFFFAOYSA-N 416.909 3.258 0 40 HGAB O=C(Nc1nnc(CCc2ccccc2)s1)[C@H]1CC(=O)N(Cc2ccc(F)cc2)C1 31816351 XLTCWMBJEFKRNT-KRWDZBQOSA-N 424.501 3.450 0 40 HGAB Cc1ccc(Cn2c(=O)nc(-c3ccco3)c3nc(N4CCOCC4)sc32)cc1 32615647 SASNZFWQLDHMPN-UHFFFAOYSA-N 408.483 3.306 0 40 HGAB CC(=O)c1cccc(N2C(SCc3ccc(F)cc3)=N[C@@H]3CS(=O)(=O)C[C@H]32)c1 32639943 YOTXVGJLEHRKLA-RTBURBONSA-N 418.515 3.303 0 40 HGAB O=C(NC[C@@H](c1ccccc1Cl)N1CCCC1)[C@H]1CCCN(c2ncccn2)C1 32761048 HEEBDMZPIRANIR-PXNSSMCTSA-N 413.953 3.300 0 40 HGAB CCNc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)[C@H]1Cc2ccccc2O1 32764771 RLGZJRPGZDXOTQ-HXUWFJFHSA-N 417.531 3.091 0 40 HGAB Cc1sc2ncn(CCC(=O)Nc3ccc4c(c3)OC(F)(F)O4)c(=O)c2c1C 32896003 NSOJEWOZTPWQFG-UHFFFAOYSA-N 407.398 3.425 0 40 HGAB O=C(CN1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)c1cccs1 36392860 XXUXZJOOIYIREO-UHFFFAOYSA-N 400.525 3.091 0 40 HGAB O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCN(CCc2cccs2)CC1 36553510 UWGUKKXCPRZCBJ-UHFFFAOYSA-N 420.478 3.196 0 40 HGAB CCN(CC(=O)NCCc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl 39985254 HVORQVSKEZNHFN-UHFFFAOYSA-N 415.342 3.363 0 40 HGAB Cc1ccc2c(c1)C(=O)N(CCC(=O)NCc1ccnc(Oc3ccccc3)c1)C2=O 40110657 KJRFCSAVLXFHAW-UHFFFAOYSA-N 415.449 3.485 0 40 HGAB C[C@@]1(c2ccccc2C(F)(F)F)NC(=O)N(CC(=O)N2CCc3ccccc32)C1=O 40116680 HZWBJKSYZPJXDA-FQEVSTJZSA-N 417.387 3.062 0 40 HGAB O=C(CCC(=O)N1CCC(c2noc3ccc(F)cc23)CC1)NCc1ccccn1 40267687 LIDVYZIWTBJJDP-UHFFFAOYSA-N 410.449 3.165 0 40 HGAB O=C(NCc1ccc2c(c1)OCCO2)Nc1cc(Cl)ccc1N1CCOCC1 43398239 ZLDSZBGBGSTTHF-UHFFFAOYSA-N 403.866 3.270 0 40 HGAB COc1cc(OC)c(NC(=O)CN2C(=O)COc3cc(Cl)ccc32)cc1Cl 44841824 WLFAWNPCYIFSPT-UHFFFAOYSA-N 411.241 3.375 0 40 HGAB CC(C)(C)OC(=O)N1CCN(C(=O)Nc2cc(Cl)ccc2N2CCOCC2)CC1 48354733 VJQAWPOINUVUDC-UHFFFAOYSA-N 424.929 3.261 0 40 HGAB COc1cccc(C(=O)NC2CCN(C(=O)Cc3ccc(-n4cccc4)cc3)CC2)c1 58342227 KEFNNRWTYUTGPL-UHFFFAOYSA-N 417.509 3.449 0 40 HGAB COc1ccc(-c2cn(CC(=O)Nc3cccc(OC)c3)nc2N2CCOCC2)cc1 62006908 GQOSZZVGAPIKSR-UHFFFAOYSA-N 422.485 3.043 0 40 HGAB O=C(CSc1ccc(F)cc1)Nc1nnc([C@@H]2CC(=O)N(c3ccccc3)C2)o1 62022970 HUHGXBDERPZSEH-CYBMUJFWSA-N 412.446 3.460 0 40 HGAB O=C(CSc1nncn1-c1cccc(Cl)c1)O[C@H]1C(=O)Nc2ccccc21 69433151 RBKIBYLJGVMCJB-MRXNPFEDSA-N 400.847 3.249 0 40 HGAB Cc1noc(-c2ccnc(-n3cnc(C(=O)NCc4ccc(OC(C)C)cc4)c3)c2)n1 71768383 XYCJKEPCFPPUFP-UHFFFAOYSA-N 418.457 3.343 0 40 HGAB CCCCOc1cccc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)c1 71850243 XEUQFRVOHNLNBY-SFHVURJKSA-N 422.572 3.397 0 40 HGAB CC[C@@H](NC(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1)c1nnc2n1CCCCC2 72318842 WJNSBOFUHGTEGH-MSOLQXFVSA-N 411.506 3.003 0 40 HGAB Cn1cnc(S(=O)(=O)N2CCC[C@@H](c3cccc(Cc4ccc(F)cc4)n3)C2)c1 72350341 NSBZGZYTPXJMRL-QGZVFWFLSA-N 414.506 3.113 0 40 HGAB COc1ccc2[nH]c(C(=O)N3CCC(n4cnc5cccnc54)CC3)cc2c1OC 72366011 CXLLMKACEAOXTI-UHFFFAOYSA-N 405.458 3.407 0 40 HGAB CC(=O)Nc1ccc(CN2CCC[C@@H](c3cc(=O)[nH]c(-c4ccccn4)n3)C2)cc1 72393219 GGTUJZOISMIHCK-GOSISDBHSA-N 403.486 3.170 0 40 HGAB Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)N1CCNC(=O)[C@H]1C(C)C 78453509 BZEKECLAVJALTG-MRXNPFEDSA-N 407.923 3.281 0 40 HGAB O=C(CCn1c(S)nnc1-c1cccs1)NCc1nc2c(s1)CCCC2 78733261 CXQWJZPKUHWYIN-UHFFFAOYSA-N 405.574 3.337 0 40 HGAB CCc1nnc(-c2ccc(NC(=O)NC[C@H](CC(C)C)N3CCOCC3)cc2)o1 78975089 MPWQEVNQEQQMTE-SFHVURJKSA-N 401.511 3.167 0 40 HGAB CNC(=O)[C@@H](NC(=O)CN1CCCSc2ccc(Cl)cc21)c1ccccc1 83881781 SZYYMQGLCPMBML-IBGZPJMESA-N 403.935 3.246 0 40 HGAB Cc1ccc(NC(=O)N2CCOCC[C@@H]2C)cc1NC(=O)N1CCOCC[C@H]1C 95459965 ITAZBQWOZXOUCK-DLBZAZTESA-N 404.511 3.280 0 40 HGAB Cc1cc(C)n(C)c(=O)c1C(=O)Nc1ccc2c(c1)C(=O)N(C)c1cccnc1O2 95476777 UXQRPWYYKSBPHC-UHFFFAOYSA-N 404.426 3.032 0 40 HGAB CCN1CC2(CCN(Cc3ccsc3)CC2)COc2ccccc2S1(=O)=O 96037142 ZYYJIURVDSCLTM-UHFFFAOYSA-N 406.573 3.434 0 40 HGAB O=C(Nc1ccc(Cl)c(Cl)c1)C1CCN(c2cc(-n3cncn3)ncn2)CC1 96105220 UGVBTQDBBBITQG-UHFFFAOYSA-N 418.288 3.219 0 40 HGAB Cc1cccc(CN2CCC[C@]3(CCN(S(=O)(=O)c4cccc(F)c4)C3)C2)n1 96216216 NSIASIFOYNHOHM-NRFANRHFSA-N 403.523 3.206 0 40 HGAB C[C@H](Sc1n[nH]c(=O)n1CCc1ccccc1)C(=O)N[C@@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 103136331 GQHQJKRXCZAKPA-FQQAFBJJSA-N 414.575 3.236 0 40 HGAB CCOc1ccc(N([C@@H](C)C(=O)N[C@@H]2CCCc3ccccc32)S(C)(=O)=O)cc1 216471066 ZLQMSTIEXXBSJW-HRAATJIYSA-N 416.543 3.434 0 40 HGAB C[C@@H](C(=O)NCc1ccccn1)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1 222917436 AFMXPDBGMVFNMO-SFHVURJKSA-N 405.473 3.497 0 40 HGAB C[C@H]1Cc2cc(Br)ccc2N1S(=O)(=O)c1ccc2c(c1)oc(=O)n2C 223029456 IKOWLEZWYKLGRJ-JTQLQIEISA-N 423.288 3.034 0 40 HGAB Cc1ccc(S(=O)(=O)N(C)Cc2ncc(C(=O)Nc3ccc(C)c(C)c3)cn2)cc1 223381974 RBQZPJAFUPOULR-UHFFFAOYSA-N 424.526 3.475 0 40 HGAB CCOc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)cc1 223588458 DTJKZCNAORQRNV-RTWAWAEBSA-N 408.527 3.236 0 40 HGAB CCc1ccc(OCCNS(=O)(=O)c2ccc(OC)c(Br)c2)cc1 223978454 ARXVLLXRMNFXQO-UHFFFAOYSA-N 414.321 3.377 0 40 HGAB CC[C@@H]1CCCCN1CCCNC(=O)c1cccc(N2CCCCS2(=O)=O)c1 224390224 BJPFERNUBDOHBV-LJQANCHMSA-N 407.580 3.001 0 40 HGAB COc1ccc(S(=O)(=O)N(CC(=O)O)c2ccccc2F)c(Cl)c1Cl 224621144 MTDQJZKHWDRZDC-UHFFFAOYSA-N 408.234 3.421 0 40 HGAB CCOc1ccc(C(=O)N2CCCC2)cc1CN(C)S(=O)(=O)c1ccc(C)cc1 224826205 IAMDESXFVRFFQM-UHFFFAOYSA-N 416.543 3.450 0 40 HGAB Cc1cccc(S(=O)(=O)NCCC(=O)NCc2cccnc2-c2ccsc2)c1 225645772 IATLJASJEOLKBK-UHFFFAOYSA-N 415.540 3.103 0 40 HGAB COCCNC(=S)Nc1nc(Oc2ccccc2)cc(N2CCC(C)CC2)n1 225898306 YSLTXQLTDFLKOE-UHFFFAOYSA-N 401.536 3.438 0 40 HGAB COc1ccc(NC(=O)C2(C)COC(c3ccc(OC)c(OC)c3)OC2)c(OC)c1 225918202 LUMVSFTXGRIGDZ-UHFFFAOYSA-N 417.458 3.411 0 40 HGAB Cc1nc([C@H]2CCN(C(=O)[C@H](C)c3ccccc3)C2)nc(C)c1CC(=O)N1CCCC1 257311831 ULEOWPJLROFOCY-UTKZUKDTSA-N 420.557 3.378 0 40 HGAB Cn1cc(-c2ccc3c(c2)[C@@H]2CN(Cc4ccc(Cl)cc4)C[C@H]2S3(=O)=O)cn1 306140461 UUIWNSXPINNJPF-PZJWPPBQSA-N 413.930 3.496 0 40 HGAB COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3OC)C2=O)ccc1O 409211503 NNBWUZGGKFLMCX-YVLHZVERSA-N 414.439 3.084 0 40 HGAB O=C1c2ccccc2CN1CC(=O)N1CCCC2=C[C@H]3C[C@@H](CN4CCCC[C@@H]34)[C@@H]21 583647647 YANKGUFDQNGLKJ-CGCKEFBRSA-N 405.542 3.064 0 40 HGAB biogenic CCOc1ccc(Br)c(C(=O)NCCc2csc(N(C)C)n2)c1F 1542745603 ZHTUSGLTHPAIHU-UHFFFAOYSA-N 416.316 3.482 0 40 HGAB Cc1ccc(S(=O)(=O)N2CC[C@@H](Oc3ccncc3Br)C2)s1 1776001810 MNTLOTWSKQMHDV-LLVKDONJSA-N 403.323 3.056 0 40 HGAB CN(C)c1cccc(C(=O)N2C[C@H]3CN(c4ccc(C(F)(F)F)cn4)C[C@@H]3C2)c1 1888866321 ZDEIGADUCXFLTF-HZPDHXFCSA-N 404.436 3.375 0 40 HGAB Cc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)cc1 671197 MDNUBOYYWLQASM-UHFFFAOYSA-N 402.516 3.433 0 40 HGAB CC[C@@H](C)c1ccc(-n2c(=O)c3ccccc3n3c(SCC(=O)NC)nnc23)cc1 2652072 LMSKHAQBQIRJTH-CQSZACIVSA-N 421.526 3.385 0 40 HGAB Cc1cc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)C3CCCCC3)cc2)no1 3313599 MPCDESRVSXRVCQ-UHFFFAOYSA-N 422.532 3.177 0 40 HGAB CC(C)[C@@H](Sc1nnc(-c2cccs2)n1-c1ccccc1)C(=O)NC(N)=O 3325449 VDQXVQSZRXSSTC-CQSZACIVSA-N 401.517 3.307 0 40 HGAB Cc1ccc(Cn2nnc3c(SCC(=O)OCc4ccccc4)ncnc32)cc1 4166401 AGLPTFFOQNVRJO-UHFFFAOYSA-N 405.483 3.414 0 40 HGAB O=C(Nc1ccccc1)NC1(C(=O)Nc2ccc(-n3cnnn3)cc2)CCCCC1 4965419 SFTJLDAWUUMYCV-UHFFFAOYSA-N 405.462 3.125 0 40 HGAB Cc1ccc(Cc2nn3c(=O)/c(=C\c4ccc(C(C)C)cc4)sc3nc2=O)cc1 5006694 FGCYRZNPTZZOFQ-DEDYPNTBSA-N 403.507 3.082 0 40 HGAB Cc1cc(OCC(=O)N(Cc2ccco2)[C@@H]2CCS(=O)(=O)C2)cc(C)c1Cl 5163560 DMFOGQSFMMAYJO-OAHLLOKOSA-N 411.907 3.145 0 40 HGAB CC[C@]1(c2ccc(OC)cc2)NC(=O)N(Cc2cc(Cl)c3c(c2)OCCO3)C1=O 5320929 GIUPEQOCDCPTMX-OAQYLSRUSA-N 416.861 3.477 0 40 HGAB CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc(C)s2)c2c([nH]c(=O)[nH]c2=O)N1 5867027 ZWOUFMHGJQDCLL-INIZCTEOSA-N 409.467 3.008 0 40 HGAB COc1ccc(OCCCC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)cc1 6271335 VLBOLDMPOUQBES-UHFFFAOYSA-N 418.515 3.277 0 40 HGAB COc1ccc(Cl)cc1-c1n[nH]c(SCC(=O)NC(=O)c2ccccc2)n1 6463911 DKXJEPVNGTZWNV-UHFFFAOYSA-N 402.863 3.182 0 40 HGAB CC(C)(C)c1ccc(C(=O)NC(=O)COC(=O)/C=C/c2ccc3c(c2)OCO3)cc1 6560903 TXMXSJLLEKZGNG-VZUCSPMQSA-N 409.438 3.226 0 40 HGAB Cc1ccc(CN(C(=O)[C@@H](C)Oc2ccc(C)c(C)c2)[C@H]2CCS(=O)(=O)C2)o1 6810337 QNNUMDXHEFUMHX-MSOLQXFVSA-N 405.516 3.188 0 40 HGAB Cc1cccc(N2CCN(C(=O)CNC(=O)C34CC5CC(CC(C5)C3)C4)CC2)c1C 6814906 XKFQPQXDGJLSGV-UHFFFAOYSA-N 409.574 3.285 0 40 HGAB CCn1c(CN2CC[C@H]3CCCC[C@@H]3C2)nc2cc(S(=O)(=O)N(C)C)ccc21 8424951 VJUALCDTAIBMKL-IAGOWNOFSA-N 404.580 3.319 0 40 HGAB COc1ccc(S(=O)(=O)NCCSC(C)(C)C)cc1C(=O)N1CCCCC1 8560541 JBCMWWPAQHXVGE-UHFFFAOYSA-N 414.593 3.131 0 40 HGAB CC(C)[C@@H](C(=O)N[C@H](C)Cc1c[nH]c2ccccc12)n1nnc2ccccc2c1=O 9051518 XUQSQLGCHHVREM-VFNWGFHPSA-N 403.486 3.217 0 40 HGAB COc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C)C(=O)C(C)(C)CO3)cc1C 9169938 SBXUDKQQGWTBTK-UHFFFAOYSA-N 404.488 3.186 0 40 HGAB COc1ccc(C(C)=O)cc1CC(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1 9253760 SNILHTYRSBDULL-UHFFFAOYSA-N 418.496 3.092 0 40 HGAB CCCn1cc(C(=O)NCc2ccc(OC)cc2)c2nn(-c3ccccc3)c(=O)c-2c1 9661508 WECDCPMXNCMWPJ-UHFFFAOYSA-N 416.481 3.487 0 40 HGAB Cc1cccc(CCCNC(=O)CN(c2cccc(Cl)c2C)S(C)(=O)=O)c1 10110696 SICNJPSDOGIBLB-UHFFFAOYSA-N 408.951 3.472 0 40 HGAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1cccc(N2CCCS2(=O)=O)c1 10777416 GIAMDDVZGZSXBJ-UHFFFAOYSA-N 410.499 3.281 0 40 HGAB O=C(CCc1nc2ccccc2c(=O)[nH]1)NCCc1ccc(Br)s1 10821372 AIMLOTLZVJIZCV-UHFFFAOYSA-N 406.305 3.039 0 40 HGAB CCOC(=O)c1cc(O[C@H](C)C(=O)N2CCc3ccccc32)cc(C(=O)OCC)c1 11211848 MRNNFGAXDHQNRH-OAHLLOKOSA-N 411.454 3.397 0 40 HGAB O=C(CSc1nnc(N2CCCC2)n1Cc1ccco1)Nc1cccnc1Cl 11428897 OVPSHPMJGJYYNO-UHFFFAOYSA-N 418.910 3.299 0 40 HGAB CC(C)N1C(=O)c2ccccc2N2C(=O)CC[C@@]21C(=O)OC[C@H]1CC1(Cl)Cl 11447628 QZYMQOWVMNHHTO-BLVKFPJESA-N 411.285 3.111 0 40 HGAB CC(C)N(CCNC(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)C(C)C 11595284 LXJQYIRTODMVDT-UHFFFAOYSA-N 404.580 3.031 0 40 HGAB O=C(C[C@@H]1CSc2nc3c(cnn3-c3ccccc3)c(=O)n21)Nc1ccccc1F 11613354 AHGMHILIIBREBJ-CQSZACIVSA-N 421.457 3.397 0 40 HGAB COC(=O)c1sc(NC(=O)CSc2cc(-c3ccccc3)ncn2)nc1C 11903079 VULDJFFNSFJGLL-UHFFFAOYSA-N 400.485 3.426 0 40 HGAB C[C@@H]1CCCC[C@H]1NC(=O)CN1C(=O)COc2ccc(C(=O)c3cccs3)cc21 12239774 ILHUGTYVEJJBND-GDBMZVCRSA-N 412.511 3.399 0 40 HGAB CN(C)S(=O)(=O)c1ccc(SC[C@@H](O)COc2ccccc2C(C)(C)C)nc1 12550756 FIKJFFOPAPVZIB-HNNXBMFYSA-N 424.588 3.161 0 40 HGAB O=C1Nc2cc(Cl)ccc2S[C@H]1CC(=O)N1CCN(c2ccccc2O)CC1 12555891 ARIDZMBYYIURQG-SFHVURJKSA-N 417.918 3.197 0 40 HGAB CCN(CC)[C@@H](CNC(=O)Nc1ccc(S(N)(=O)=O)cc1)c1ccccc1Cl 12765462 PZTUMEPKCZPJGJ-SFHVURJKSA-N 424.954 3.192 0 40 HGAB COc1ccc(CCNC(=O)Cn2c(S)nnc2-c2ccc(Cl)cc2)cc1 12801673 LAONOLAZBDWRLG-UHFFFAOYSA-N 402.907 3.255 0 40 HGAB C[C@@H]1CCC[C@@H](NC2=NN=C(c3ccc(N(C)S(C)(=O)=O)cc3)CS2)[C@@H]1C 12807092 DBABIXUQUCKBPO-CKEIUWERSA-N 408.593 3.304 0 40 HGAB C[C@@H]1C[C@@H](C)CN(CC(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2Cl)C1 13057180 HRHJJMMCAAUVBS-HUUCEWRRSA-N 413.971 3.041 0 40 HGAB COc1cc(OC)c(OC)cc1CNC(=O)COc1ccc(C)cc1Br 13115074 FKDAFEZLRJAPSH-UHFFFAOYSA-N 424.291 3.479 0 40 HGAB O=C(CCSc1nc(Cl)nc2nc[nH]c12)NCCc1c[nH]c2ccc(F)cc12 13552137 SDIOGTATBVRVGS-UHFFFAOYSA-N 418.885 3.468 0 40 HGAB CC(=O)Nc1cccc(NC(=O)COc2ccc3nc4n(c(=O)c3c2)CCCCC4)c1 13693167 OSKBIIJEGCENJH-UHFFFAOYSA-N 420.469 3.099 0 40 HGAB CCn1nc(C(=O)Nc2cc(Cl)ccc2N2CCOCC2)c2ccccc2c1=O 14707517 USETVWQFYPQUQR-UHFFFAOYSA-N 412.877 3.159 0 40 HGAB O=C(OCCOc1cccc(Cl)c1)C1CCN(S(=O)(=O)c2ccccc2)CC1 15951973 GKYDZYBPKJCUSC-UHFFFAOYSA-N 423.918 3.363 0 40 HGAB C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)N3CCCc4ccccc43)c2)C[C@@H](C)O1 16023057 CATFOOCTHYCEEG-IAGOWNOFSA-N 414.527 3.078 0 40 HGAB COc1ccc(NS(=O)(=O)c2cc(Br)ccc2OC)c(OC)c1 16147566 CTIJHTBYKVQXCZ-UHFFFAOYSA-N 402.266 3.276 0 40 HGAB C[C@H]1CN(S(=O)(=O)c2cc(C(=O)N3CCCC[C@H]3C)ccc2Cl)C[C@@H](C)O1 18154610 RSJVNOKDKJPXAP-KFWWJZLASA-N 414.955 3.153 0 40 HGAB Nc1cc(-c2cccs2)nn(CC(=O)Nc2ccc(OC(F)(F)F)cc2)c1=O 19344138 WDUHJZFJPGNGAC-UHFFFAOYSA-N 410.377 3.091 0 40 HGAB CN1CCC(N(CCc2ccccc2)C(=O)c2ccc(Cn3cncn3)cc2)CC1 19588129 QJQUGCKKZHBAPJ-UHFFFAOYSA-N 403.530 3.106 0 40 HGAB O=C(NCCN1CCN(C(=O)c2ccccc2Cl)CC1)c1ccccc1Cl 19596371 AZXYVQAAVSYJSY-UHFFFAOYSA-N 406.313 3.181 0 40 HGAB O=C(NC[C@H](c1cccnc1)N1CCOCC1)c1cc(C2CC2)nc2ccccc12 19714768 FWFDAERUPGHCRC-HSZRJFAPSA-N 402.498 3.311 0 40 HGAB COC(C)(C)C(=O)N1CC[C@H](c2nc(C)c3c(n2)N(Cc2ccccc2)C(=O)CC3)C1 19739011 PAOWYFOKLZZPAL-SFHVURJKSA-N 422.529 3.005 0 40 HGAB COc1cccc(CNC(=O)c2cnc([C@H]3CCN(Cc4cccnc4)C3)nc2C)c1 19759007 ZCTKYTHWIYTGLA-FQEVSTJZSA-N 417.513 3.108 0 40 HGAB COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)cc1Cl 20005908 XNYAEPKDAZBWAY-KRWDZBQOSA-N 424.950 3.153 0 40 HGAB COc1ccc(Br)cc1C(=O)NC(=S)Nc1ccc(CC(=O)O)cc1 20152601 OYOHUUWDQSBFCK-UHFFFAOYSA-N 423.288 3.212 0 40 HGAB Cc1ccc(N2C(=O)C[C@@H](C(=O)NCc3nnc4n3CCC4)[C@H]2c2cccs2)cc1 22192379 XZDUADNMSFYQKE-IERDGZPVSA-N 421.526 3.005 0 40 HGAB Cc1cc(C)n2ncc(C(=O)NCCNc3ncc(C(F)(F)F)cc3Cl)c2n1 25339914 NQPFOVKRTWODON-UHFFFAOYSA-N 412.803 3.255 0 40 HGAB Cc1cc2oc(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)c(C)c2cc1Cl 27991781 KHMRFOZEIYELTO-UHFFFAOYSA-N 406.891 3.323 0 40 HGAB CCn1c(=O)c2ccccc2n2c(CNc3cc4c(cc3Cl)OCCO4)nnc12 29691556 NTVDLHSKOPCUQZ-UHFFFAOYSA-N 411.849 3.101 0 40 HGAB COC(=O)c1ccc(NC(=O)c2cn(-c3cccc(Br)c3)nn2)s1 31892698 XLFTXVCARJLEOX-UHFFFAOYSA-N 407.249 3.130 0 40 HGAB CSCC[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N1C[C@@H](C)O[C@H](C)C1 34863422 WGAAIXPZHBSAAV-XHBSWPGZSA-N 419.374 3.481 0 40 HGAB CC(C)[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N[C@@H](C)c1ccc(Cl)cc1 40157443 IJTUQSIDAREXBH-UGSOOPFHSA-N 419.934 3.281 0 40 HGAB Cc1c(O)ccc2c(COC(=O)c3nn(C(C)C)c(=O)c4ccccc34)cc(=O)oc12 40159267 AOPCMQQAQYSFSH-UHFFFAOYSA-N 420.421 3.455 0 40 HGAB CN(c1ccc(Oc2cc(Cl)nc(N)n2)cc1)S(=O)(=O)c1ccc(F)cc1 45023603 ZGFITALBJHEXLI-UHFFFAOYSA-N 408.842 3.469 0 40 HGAB COc1cccc([C@H](NC(=O)NCCCCN2CCC[C@H](C)C2)c2nccn2C)c1 45304480 KUVNYZCDZPGCQN-RXVVDRJESA-N 413.566 3.329 0 40 HGAB C[C@H](NC(=O)Cc1ccc(OC(F)(F)F)cc1)c1ccc(S(C)(=O)=O)cc1 48332967 ZWUSAFABLVRZKQ-LBPRGKRZSA-N 401.406 3.409 0 40 HGAB Cc1ccc(-c2ccc3nn(CC(=O)Nc4ccc(Cl)cc4F)c(=O)n3n2)cc1 49009345 ZCZZEOMMEGQWTG-UHFFFAOYSA-N 411.824 3.298 0 40 HGAB O=C(C1=NN(CCc2ccccc2)c2ccccc2S1(=O)=O)N1CCCCCC1 49402562 WPXRUGJYHBDGDB-UHFFFAOYSA-N 411.527 3.239 0 40 HGAB CCOC(=O)C1=C(CN(CC)Cc2ccccc2)NC(=O)N[C@H]1c1ccc(OC)cc1 57478328 RUTTZCABZYUCRO-QFIPXVFZSA-N 423.513 3.388 0 40 HGAB COc1ccc(S(=O)(=O)N(C)c2ccsc2C(=O)n2nc(C)cc2C)cc1 67172398 JANYZMALQRQDFG-UHFFFAOYSA-N 405.501 3.084 0 40 HGAB CCOC(=O)C1CCN(S(=O)(=O)c2cccc(COc3ccccc3)c2)CC1 72264771 HQWOGQVWNKDDCD-UHFFFAOYSA-N 403.500 3.229 0 40 HGAB CN(C[C@@H](O)COc1ccc(C(F)(F)F)cc1)C(=O)[C@@H]1CCOc2ccccc21 72310399 SUAMSCJAPPSFHR-CRAIPNDOSA-N 409.404 3.470 0 40 HGAB COCCn1cc(C(=O)NCCn2ccc3cc(OC)ccc32)c2ccccc2c1=O 72401220 LZQPYAYMPQJUIJ-UHFFFAOYSA-N 419.481 3.041 0 40 HGAB Cc1ccc(S(=O)(=O)NCCC(=O)OC[C@@H]2CCN(c3ccccc3)C2)cc1C 84180890 RHZFQXRZTVIEOW-LJQANCHMSA-N 416.543 3.042 0 40 HGAB CCc1cc(C(=O)NC[C@@H]2CN(C(=O)Nc3ccccc3)[C@H]3CCN2C3)sc1C 95981225 DPRWKTPLXZIUEA-RBUKOAKNSA-N 412.559 3.339 0 40 HGAB O=C(/N=c1\c2ccccc2[nH]c(=O)n1Cc1ccc(F)cc1)NCc1ccccc1 101113893 IYXDNAAKWFGSEJ-SZXQPVLSSA-N 402.429 3.328 0 40 HGAB C[C@H](C(=O)NCC(C)(c1ccccc1)c1ccccc1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 102240306 GDXPUSCZEHSYES-QIJUGHKUSA-N 416.521 3.449 0 40 HGAB Cc1cccc(CCCNC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)c1 216399288 DEQOHUJOJURCOM-UHFFFAOYSA-N 406.573 3.206 0 40 HGAB CCOC(=O)c1ccc(NC(=O)c2ccc(N(C)S(C)(=O)=O)c(C)c2)cc1Cl 222483674 ARBZPSYDRMLROG-UHFFFAOYSA-N 424.906 3.473 0 40 HGAB CC(C)CNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc3sncc3c2)cc1 222655872 CDOLZVZSZACBJM-UHFFFAOYSA-N 419.528 3.248 0 40 HGAB COc1cc2c(cc1S(=O)(=O)NCc1nc(-c3ccc(C)cc3)no1)CCCC2 223363844 ZNEFZKDPFRKVNN-UHFFFAOYSA-N 413.499 3.411 0 40 HGAB CC[C@@H]1CCCCN1CCCNS(=O)(=O)c1ccc(SC)c(NC(C)=O)c1 223521745 ZBXLDAAZLFNNNX-MRXNPFEDSA-N 413.609 3.300 0 40 HGAB Cc1ccc(CCCNS(=O)(=O)c2nnc(NC(=O)c3ccccc3)s2)cc1 224740393 NFLGKRRZGINNNQ-UHFFFAOYSA-N 416.528 3.010 0 40 HGAB COC(=O)CSc1nnc(NC(=O)CSCc2ccc(Cl)cc2F)s1 224931213 UTGPWRXFEGROAY-UHFFFAOYSA-N 421.928 3.468 0 40 HGAB CCCSc1nnc(NC(=O)c2ccc(N(CC)S(=O)(=O)CC)cc2)s1 224943950 RHNXPTTVGHUFSM-UHFFFAOYSA-N 414.578 3.469 0 40 HGAB CS(=O)(=O)N[C@@H](CC(=O)NCc1cccc2ccccc12)c1ccc(F)cc1 225943102 ITSLOCMVSFQZFL-FQEVSTJZSA-N 400.475 3.276 0 40 HGAB Cc1cc(N2CCC[C@@H](C)C2)nc(NC(=S)NCc2ccc3c(c2)OCCO3)n1 226015594 CWQLBXKWHULXGS-CQSZACIVSA-N 413.547 3.279 0 40 HGAB CN1CCN(C[C@H](O)COCCOc2ccc(C(C)(C)CC(C)(C)C)cc2)CC1 226069750 XDQAOYDICZGYIY-NRFANRHFSA-N 406.611 3.404 0 40 HGAB CN1CCN([C@H]2CC[C@](CNC(=O)CC(C)(C)C)(c3ccccc3)CC[C@@H]2O)CC1 257267189 MGHIDEQBOGDQJF-HWBMXIPRSA-N 415.622 3.028 0 40 HGAB COc1ccc(-c2cncc([C@@H]3CN(C(=O)Cc4ccc(F)cc4)CCO3)n2)cc1 257287786 PRNGSWURSXFJSG-QFIPXVFZSA-N 407.445 3.434 0 40 HGAB COc1ccc(C)cc1N([C@H](C)C(=O)NC(C)(C)Cc1ccccc1)S(C)(=O)=O 260761120 FMNPTEKXUIZKPY-QGZVFWFLSA-N 418.559 3.296 0 40 HGAB Cc1cc(C(=O)N2CCC3(CC2)CN(C)Cc2nnc(-c4ccc(F)cc4)n23)c(C)o1 306137571 RADWNGNXDVKTGD-UHFFFAOYSA-N 423.492 3.371 0 40 HGAB CCCN(Cc1ccccc1)C(=O)c1ccc(N2C(=O)c3cncnc3C2=O)cc1 408977244 WCZBZJOUJKKSHU-UHFFFAOYSA-N 400.438 3.330 0 40 HGAB COc1cccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccccc3)[C@H]2c2ccc(C)cc2)c1 409060730 UNYMVJHZNZAQAA-HFXBMHRVSA-O 414.485 3.020 0 40 HGAB CCCNC(=O)CN1C(=O)S/C(=C\c2cc(Br)ccc2OC)C1=O 409211912 OQPQFEQAKOUUIU-JYRVWZFOSA-N 413.293 3.020 0 40 HGAB CC[C@H]1CO[C@@H](C)CN1C(=O)CC1(CC(=O)N2C[C@@H](C)OC[C@H]2CC)CCCC1 517189119 HKLQSKJOOWEXFM-FGYAAKKASA-N 408.583 3.379 0 40 HGAB O=C(Cc1ccc2c(c1)CCCO2)N1CC2(C[C@H](OCc3cccnc3)CS2)C1 575403228 GWIVAXCDIRPMES-FQEVSTJZSA-N 410.539 3.252 0 40 HGAB O=C(c1cnc2ccccn2c1=O)N1CCCC[C@H]1c1nnc(-c2ccccc2F)o1 583622196 WWAATMHPJLPBQM-KRWDZBQOSA-N 419.416 3.251 0 40 HGAB OC[C@H]1[C@H](O)C[C@@H](NCc2cccc(Cl)c2)[C@@H]1Cc1ccnc(-c2ccccc2)n1 604382107 DRPJVSIOMQTNPS-SSGKUCQKSA-N 423.944 3.487 0 40 HGAB biogenic,in-vitro COC(=O)c1ccc(OC)c(S(=O)(=O)NC[C@@H](c2ccsc2)c2ccco2)c1 670359505 TXERQIBLCABTPX-HNNXBMFYSA-N 421.496 3.247 0 40 HGAB Cc1nnc2c(N3CCC(CN(C)c4cc(C(F)(F)F)ccn4)CC3)nccn12 1888941689 QSNWSILUKRSURN-UHFFFAOYSA-N 405.428 3.199 0 40 HGAB O=S(=O)(c1ccc(F)cc1F)N1CCC[C@](O)(COc2ccc(F)cc2)CC1 2037912645 SJSNUKTYJKBPPU-LJQANCHMSA-N 415.433 3.089 0 40 HGAB CC(C)(C)[C@H]1CCc2c(sc3nc(SCC(=O)N4CCOCC4)[nH]c(=O)c23)C1 1368188 SISRVHCEBVHTNW-LBPRGKRZSA-N 421.588 3.087 0 40 HGAB C[C@H]1CCC[C@H](C)N1S(=O)(=O)c1ccc(S(=O)(=O)NC2CCCCC2)cc1 1368267 AHKLCXNHNREFKM-HOTGVXAUSA-N 414.593 3.249 0 40 HGAB COC(=O)[C@](NC(=O)c1ccc(Cl)cc1)(Nc1ncc(C)s1)C(F)(F)F 2050294 ZGPGVUGARCFZOG-AWEZNQCLSA-N 407.801 3.378 0 40 HGAB Cc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2N)c(Br)c1 2367624 AMLLENIAFZFZNW-UHFFFAOYSA-N 408.281 3.054 0 40 HGAB COCCn1c(SCC(=O)c2[nH]c(C)c(C(C)=O)c2C)nc2ccccc2c1=O 2627911 JOBDXBQNXIDBEL-UHFFFAOYSA-N 413.499 3.165 0 40 HGAB CCOC(=O)c1c(NC(=O)COC(=O)c2ccc(C=O)cc2)sc2c1CCCC2 3386014 QKYIIXDOGLPQGQ-UHFFFAOYSA-N 415.467 3.412 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccc(F)c(Cl)c1 3565871 FHQWEYQJZDQGML-UHFFFAOYSA-N 412.870 3.061 0 40 HGAB Cc1c(NC(=O)CCC(=O)NCCC2=CCCCC2)c(=O)n(-c2ccccc2)n1C 4549540 UVBSAQKYEJWYQE-UHFFFAOYSA-N 410.518 3.210 0 40 HGAB COc1ccccc1NC(=O)[C@@H](Cc1ccccc1)N1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1=O 4554312 RBMCLHXVZKWHQE-VVMYPULBSA-N 418.493 3.276 0 40 HGAB COc1ccc(-n2c(=O)c3ccccc3n(Cc3ccccc3F)c2=O)cc1OC 4905250 KJJYXWAOCHOXSO-UHFFFAOYSA-N 406.413 3.357 0 40 HGAB CCOC(=O)C1=C(CSc2nnc(C)s2)NC(=O)N[C@@H]1c1ccc(C)cc1C 5018345 RTWMIDNJTFXOSU-MRXNPFEDSA-N 418.544 3.427 0 40 HGAB C[C@@H](OC(=O)c1ccccc1NCCO)C(=O)Nc1ccc(N2CCCCC2)cc1 5278746 NNVJFVVNFPWXOX-QGZVFWFLSA-N 411.502 3.265 0 40 HGAB COCCCn1c(C(=O)N[C@H](C)c2ccccc2)cc2c(=O)n3cccc(C)c3nc21 5325113 ACBCRTALYLUCGT-QGZVFWFLSA-N 418.497 3.485 0 40 HGAB CCN(CC)S(=O)(=O)c1cc(NC(=O)c2ccc(OC)cc2OC)ccc1C 6114168 APUBFBRYODRPHZ-UHFFFAOYSA-N 406.504 3.295 0 40 HGAB Cc1nn(-c2ccccc2)c(C)c1COC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 6541796 DYVAJBHLGBCESN-UHFFFAOYSA-N 413.499 3.096 0 40 HGAB Cc1ccc(CNC(=O)c2ccccc2NC(=O)CSc2cccc[n+]2[O-])cc1 7719088 CGDSLUJSNJLKQR-UHFFFAOYSA-N 407.495 3.289 0 40 HGAB COc1cccc(N2C[C@H](C(=O)OCC(=O)Nc3cc(Cl)ccc3C)CC2=O)c1 7940148 HUYZLRKXLYGVTP-CQSZACIVSA-N 416.861 3.192 0 40 HGAB CCCCc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)cc1 7959287 VRJPTWGJQVTKSH-UHFFFAOYSA-N 404.507 3.315 0 40 HGAB C[C@@H](Sc1nnc(C2CC2)n1C1CC1)C(=O)c1ccc(NS(C)(=O)=O)cc1 8036094 XJBCKJIGJRGJMU-LLVKDONJSA-N 406.533 3.225 0 40 HGAB C[C@@H](Sc1nnc(NCc2ccco2)s1)C(=O)N1CC(=O)Nc2ccccc21 8177042 SGRNTWIQNSSUME-LLVKDONJSA-N 415.500 3.209 0 40 HGAB C[C@@]1(c2cccc3ccccc23)NC(=O)N(CC(=O)c2ccc3c(c2)OCO3)C1=O 8193731 UBCHIBOWNDMRAP-QHCPKHFHSA-N 402.406 3.218 0 40 HGAB O=C1CCCN1Cc1nnc(Sc2nc(-c3cccnc3)nc3ccccc23)o1 8201430 GITFSUQPJCKMMC-UHFFFAOYSA-N 404.455 3.348 0 40 HGAB CC1(C)CC(=O)c2c(O)cc(OCC(=O)Nc3ccc4oc(=O)ccc4c3)cc2O1 8764274 UHIKYPZYSBGZTG-UHFFFAOYSA-N 409.394 3.260 0 40 HGAB biogenic Cc1cc(SCC(=O)N2CC(=O)NC(=O)C23CCCCC3)nc2c(C)cccc12 8848253 RSIAXMGAOQZBLN-UHFFFAOYSA-N 411.527 3.132 0 40 HGAB C[C@H]1Cc2ccccc2N1Cc1cc(=O)c(OCC(=O)NCCc2ccccc2)co1 9716563 AFNZIVKRLNXSBG-SFHVURJKSA-N 418.493 3.329 0 40 HGAB CCCCn1nc(C(=O)NCc2ccc(Cn3cccn3)cc2)c2ccccc2c1=O 10026129 LUNBNJOIHKGBLO-UHFFFAOYSA-N 415.497 3.371 0 40 HGAB C[C@H](OC(=O)C1CCCCC1)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 10627374 ADCXCQPAAHHVKI-INIZCTEOSA-N 422.547 3.312 0 40 HGAB Cc1ccc(-n2c(SCC(=O)NC[C@@H]3CCCO3)nnc2-c2ccncc2)cc1 10730095 CTAXQGIRUWEIDZ-SFHVURJKSA-N 409.515 3.025 0 40 HGAB COc1cc(/C=C/C(=O)NCc2ccc(N3CCOCC3)nc2)ccc1OC(C)C 11129680 UMNGNDDEZOCORL-RMKNXTFCSA-N 411.502 3.044 0 40 HGAB CCS(=O)(=O)c1ccc(NC(=O)[C@@H](NC(=O)c2cccc(C)c2)C(C)C)cc1 11541828 XLLOOHDICSXXFP-IBGZPJMESA-N 402.516 3.182 0 40 HGAB CCS(=O)(=O)N1CCCc2cc(NS(=O)(=O)Cc3ccc(C)cc3)ccc21 12180527 ZSFHTCWSOBMMJZ-UHFFFAOYSA-N 408.545 3.039 0 40 HGAB O=C(c1cc(C2CC2)on1)N1CCC[C@@H](c2cc(C(F)(F)F)n3ncnc3n2)C1 12226990 WOAYZYKMTKMMMG-LLVKDONJSA-N 406.368 3.028 0 40 HGAB CCOC(=O)[C@@](NC(=O)CC)(Nc1cc(C(F)(F)F)ccc1OC)C(F)(F)F 12418325 YAMBZRYJSFHIAQ-AWEZNQCLSA-N 416.318 3.474 0 40 HGAB O=C(NCCCn1cnc2ccccc21)c1ccc(I)cc1 12490162 HRBISVNFDFBCQV-UHFFFAOYSA-N 405.239 3.461 0 40 HGAB COc1ccccc1NC(=O)COc1ccc(C(=O)Nc2cccnc2)cc1OC 12550666 PINGCFKSBVSYIB-UHFFFAOYSA-N 407.426 3.369 0 40 HGAB CS(=O)(=O)N1CCc2cc(C3=NN=C(Nc4ccccc4F)SC3)ccc21 12747728 PGDGLZCNBGMHLO-UHFFFAOYSA-N 404.492 3.067 0 40 HGAB COc1ccc(Cl)cc1NC(=O)CN(C)[C@H](C)C(=O)Nc1ccc(Cl)cn1 12752812 FZSJYXHHDALHAD-LLVKDONJSA-N 411.289 3.295 0 40 HGAB CCC(=O)c1ccc(O[C@H](C)C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)cc1 12801499 VYTBWMAXBCULJT-LLVKDONJSA-N 408.376 3.219 0 40 HGAB COc1cc(Cl)c(NC(=O)c2ccc(N3CCCS3(=O)=O)cc2)cc1OC 12822382 OKKGLKOEFMFKGV-UHFFFAOYSA-N 410.879 3.149 0 40 HGAB COc1ccc2c(c1OC)C(=O)N1[C@H](C(=O)NCc3ccc(Cl)cc3)CS[C@H]21 12870491 XXYSZSYKYJVDPL-VBKZILBWSA-N 418.902 3.243 0 40 HGAB biogenic Cc1c(CC(=O)N2CCC[C@@H](C(=O)O)C2)c(=O)oc2cc3c(cc12)CCC(C)(C)O3 12892394 UATUAMLHWHSNGX-OAHLLOKOSA-N 413.470 3.071 0 40 HGAB biogenic CSCC[C@H](NC(=O)c1ccccc1)C(=O)N[C@H](C)c1ccc2c(c1)OCCO2 13018935 XQZSCXBMENBFQC-QAPCUYQASA-N 414.527 3.187 0 40 HGAB CCS(=O)(=O)N1CCc2cc(C(=O)CSc3ncnc4sccc34)ccc21 13117727 IAXGCBMFQHFGEO-UHFFFAOYSA-N 419.553 3.379 0 40 HGAB CCS(=O)(=O)N1CCCc2cc(NC(=O)c3ccc(OC)cc3OC)ccc21 17316452 UPFLJAMEKLRZAB-UHFFFAOYSA-N 404.488 3.058 0 40 HGAB COc1ccccc1CCC(=O)N1CCC[C@H]1c1nc(-c2ccncc2)cc(=O)[nH]1 19569855 IOMLVGMPUSOXND-IBGZPJMESA-N 404.470 3.137 0 40 HGAB COc1ccccc1C1=NO[C@@](C)(C(=O)N(C)Cc2ccccc2N2CCOCC2)C1 19660997 MFPRVCHOYRBAOY-XMMPIXPASA-N 423.513 3.074 0 40 HGAB COc1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(F)cc2)C1 19862516 WXKRTAMYGNEDRR-MRXNPFEDSA-N 406.479 3.015 0 40 HGAB COc1ccccc1[C@@H]1N=C2NCN(Cc3ccco3)CN2c2nc3ccccc3n21 20638546 DSSVWEUQQXYIOS-OAQYLSRUSA-N 414.469 3.381 0 40 HGAB CCc1nc2sc([C@@H](c3ccccc3F)N3CCC4(CC3)OCCO4)c(O)n2n1 22854069 LEZDCEBGKDOQIH-MRXNPFEDSA-N 418.494 3.126 0 40 HGAB O=C(Nc1cccc(C(F)(F)F)c1)[C@H](NCCN1CCOCC1)c1ccccc1 23426126 SXDRCZWGAGEVLE-LJQANCHMSA-N 407.436 3.307 0 40 HGAB CCOc1ccc(S(=O)(=O)Nc2ccc(OC)c(NC(C)=O)c2)cc1OCC 24437810 NZQUSPRGZCGZGG-UHFFFAOYSA-N 408.476 3.252 0 40 HGAB COc1cc(C)c(CN2CCN(C(=O)CN3CCCc4ccccc43)CC2)cc1OC 25376799 IFZJFHWZOKFKND-UHFFFAOYSA-N 423.557 3.109 0 40 HGAB Cc1c(NC(=O)c2cccc(Nc3ncccn3)c2)c(=O)n(-c2ccccc2)n1C 28026437 SFZYQDOWCXNBMS-UHFFFAOYSA-N 400.442 3.270 0 40 HGAB CCCc1ccc(OCC(=O)Nc2nnc(COC)s2)c(Br)c1 28232664 JMIYFFLYGQNVNC-UHFFFAOYSA-N 400.298 3.417 0 40 HGAB CC[C@H](C)NC(=O)c1ccccc1NS(=O)(=O)c1cc(C(=O)OC)ccc1C 28237712 PSEMLDPOCWNYMG-AWEZNQCLSA-N 404.488 3.111 0 40 HGAB COc1ccc(C)cc1Nc1nnc(SCc2ccc(Cl)cc2)n(N)c1=O 28535907 SYXRHROAUBXIEQ-UHFFFAOYSA-N 403.895 3.358 0 40 HGAB O=C(NCCC(=O)N1CCCN(Cc2ccc(F)cc2)CC1)c1ccc(Cl)cc1 29773158 CUJYKVRYYFQWLD-UHFFFAOYSA-N 417.912 3.334 0 40 HGAB Cc1ccc(-c2cc(C(=O)NCc3cccc(S(=O)(=O)NC(C)C)c3)on2)cc1 31286106 ACGDLNVDDPDICI-UHFFFAOYSA-N 413.499 3.267 0 40 HGAB COc1ccc(CSC2=N[C@@H]3CS(=O)(=O)C[C@H]3N2c2ccc(F)cc2F)cc1 32639748 SQDKUXDZMUXXKI-SJLPKXTDSA-N 424.494 3.248 0 40 HGAB COc1ccc(CSC2=N[C@H]3CS(=O)(=O)C[C@@H]3N2c2ccccc2F)cc1 32639751 KHDIKJODFGVUNK-WMZOPIPTSA-N 406.504 3.109 0 40 HGAB Cc1ccc(-n2ncc([C@@H](C)NS(=O)(=O)c3ccc4c(c3)OCCO4)c2C)cc1 32808837 FAORAZVNHCKMGK-OAHLLOKOSA-N 413.499 3.300 0 40 HGAB NC(=O)N1CCC[C@@H](C(=O)NCc2cn(Cc3ccccc3)nc2-c2ccccc2)C1 32893693 GAQCPYBCMSSHMC-HXUWFJFHSA-N 417.513 3.005 0 40 HGAB COCCn1c(S[C@H](C)C(=O)NC(=O)NC2CCCCC2)nc2ccccc21 32911127 ZHHGPZZNTUPPNT-CQSZACIVSA-N 404.536 3.322 0 40 HGAB CC(C)Cc1nnc(NC(=O)CSc2nnc(-c3ccc4c(c3)OCO4)o2)s1 33004678 XFWLVNQQPDKSRC-UHFFFAOYSA-N 419.488 3.246 0 40 HGAB Cc1ccc2[nH]c(=O)c([C@@H]3CC(c4ccccc4)=NN3C(=O)CCC(=O)O)cc2c1 34138342 KKPZCWONBIGSAG-FQEVSTJZSA-N 403.438 3.379 0 40 HGAB Cc1cc(C)c(S(=O)(=O)NCCCN2CCO[C@@H](c3ccccc3)C2)cc1C 36700267 FBWLSNKCVWKCRT-OAQYLSRUSA-N 402.560 3.354 0 40 HGAB Cc1ccc(CS(=O)(=O)N2CCC(C(=O)NCc3cccc(C)c3)CC2)cc1 44880703 RXUXOVDUNDPPND-UHFFFAOYSA-N 400.544 3.162 0 40 HGAB C[C@@H](SCc1cccc(S(=O)(=O)N(C)C)c1)C(=O)N1CCc2ccccc21 45090047 AVQAZKHAELBVOG-OAHLLOKOSA-N 404.557 3.148 0 40 HGAB COc1ccc(C(=O)N2CCN(Cc3cc(=O)oc4cc(C)ccc34)CC2)c(OC)c1 55044019 YBILDMIMCUBBKW-UHFFFAOYSA-N 422.481 3.077 0 40 HGAB biogenic,in-vitro CCOC(=O)C1CCN([C@@H](C)c2nc3sc4c(c3c(=O)[nH]2)CC[C@H](C)C4)CC1 57369258 NRFLKKBLTASPPX-STQMWFEESA-N 403.548 3.446 0 40 HGAB Cc1ccc(C)c(N2CCN([C@H](CC(C)C)c3nnnn3C[C@H]3CCCO3)CC2)c1 57670511 NEQLBBBDOZNFGI-IFMALSPDSA-N 412.582 3.378 0 40 HGAB C[C@H](C(=O)Nc1nc2ccccc2n1-c1ccccc1)N1C(=O)NC2(CCCC2)C1=O 58246239 ADWVFUXRZKEQSQ-OAHLLOKOSA-N 417.469 3.217 0 40 HGAB O=C(NCc1ccccc1N1CCOCC1)[C@H]1CC(c2ccc(Cl)s2)=NO1 65881657 FXTHAHWURJYEPG-MRXNPFEDSA-N 405.907 3.048 0 40 HGAB NC(=O)c1cccc(-c2cnc(N)nc2[C@H]2CCCN2C(=O)CCc2ccccc2)c1 72354702 ZOENOVDOZTZATP-HXUWFJFHSA-N 415.497 3.121 0 40 HGAB O=S(=O)(c1cn[nH]c1)N1CCC(c2cncc(-c3cccc(Cl)c3)n2)CC1 72359861 LMNDKOWRYUKFJH-UHFFFAOYSA-N 403.895 3.088 0 40 HGAB O=C(Nc1ccc(Cl)cn1)[C@@H]1CCCN(S(=O)(=O)c2ccc3c(c2)CCC3)C1 78535222 HVGQBNZVOJVHSG-MRXNPFEDSA-N 419.934 3.263 0 40 HGAB Cc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)NC[C@H](C)C[C@H](C)O)c2)c1 78869589 MADAOQCEZKWKJE-WBVHZDCISA-N 404.532 3.241 0 40 HGAB CCCOc1ccc(C(=O)O)cc1NS(=O)(=O)c1ccc2c(c1)OCCCO2 79061846 VTLCDLBKHGOPFH-UHFFFAOYSA-N 407.444 3.136 0 40 HGAB COc1ccc([C@H]2[C@H](C(=O)NCCc3ccccn3)c3ccccc3C(=O)N2C)cc1 79479270 UEMFGIURFUIYFD-PKTZIBPZSA-N 415.493 3.360 0 40 HGAB C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@@H]1C[C@H]3O 85603116 BHQCQFFYRZLCQQ-GBVVVNTCSA-N 408.579 3.449 0 40 HGAB biogenic O=C(Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1)c1cccc(OCC(F)(F)F)n1 89794143 HCXQKLMARKBURY-HNNXBMFYSA-N 409.364 3.393 0 40 HGAB COc1ccc(-c2cc(C(=O)NCCCc3nc4ccccc4n3C)[nH]n2)cc1OC 96232444 UFOSLHUUFHAVDI-UHFFFAOYSA-N 419.485 3.343 0 40 HGAB Cc1cc(=O)oc2cc(NC(=O)[C@@H](N)CCCCNC(=O)OC(C)(C)C)ccc12 96295590 OAWGDHIIFDVFOW-INIZCTEOSA-N 403.479 3.062 0 40 HGAB COc1ccc(Cc2noc([C@H]3CCCN3C(=O)c3ccccc3O)n2)cc1OC 97102686 GYZAYVXPVFEEHP-MRXNPFEDSA-N 409.442 3.361 0 40 HGAB CC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H]5ON=C(c6ccc(C)cc6)[C@@H]45)[C@H]3C2=O)cc1 100204641 LIHHUAIRASNQRP-UCTHVYFCSA-N 414.461 3.372 0 40 HGAB COc1cccc(-c2cc(C(F)(F)F)nc(S[C@@H]3CC(=O)[C@@H]4OC[C@@H]3O4)n2)c1 101066404 BOIQZGSNLVRFNN-SQWLQELKSA-N 412.389 3.346 0 40 HGAB O=C(CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)Nc1ccc(-c2cn3ccsc3n2)cc1 102905035 HAPZZXOZCIPPCB-IRXDYDNUSA-N 420.494 3.343 0 40 HGAB CCc1ccc(NC(=O)CCCN(c2ccc3c(c2)OCO3)S(C)(=O)=O)cc1 113943074 RRGNFIQBWOKEIP-UHFFFAOYSA-N 404.488 3.163 0 40 HGAB CCCc1c(C(=O)NCc2cncn2C)cnn1-c1ncc(C)c(-c2cccs2)n1 118801887 CCIGHGGCWSBIPS-UHFFFAOYSA-N 421.530 3.315 0 40 HGAB COc1ccc2c(C)c(CCC(=O)NC[C@H]3CC[C@@H](C(=O)O)CC3)c(=O)oc2c1 217443741 XCZUEXMXPCXDMO-SHTZXODSSA-N 401.459 3.050 0 40 HGAB COc1ccc(C)cc1N([C@@H](C)C(=O)N[C@@H](C)CCc1ccccc1)S(C)(=O)=O 220340533 VPWHIGYBXAFMAH-ROUUACIJSA-N 418.559 3.296 0 40 HGAB Cc1ccc(CN(CC(=O)Nc2ccccc2Br)S(C)(=O)=O)cc1 223312208 RFLOAKXBGCNWNR-UHFFFAOYSA-N 411.321 3.158 0 40 HGAB CC[C@@H](C(=O)Nc1nnc(SC(C)C)s1)N(c1ccccc1)S(C)(=O)=O 223431762 BJQSNVCHVYQMDW-ZDUSSCGKSA-N 414.578 3.222 0 40 HGAB CCC1(CC)C[C@@H](NC(=O)c2cccc(S(=O)(=O)NC)c2)c2ccccc2O1 225407046 RCPMRYXDLYUEMU-GOSISDBHSA-N 402.516 3.407 0 40 HGAB CNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)COc1ccccc1C 225441669 XZRWHJMWEBOGRZ-OAHLLOKOSA-N 419.319 3.300 0 40 HGAB COc1cccc(-n2c(=O)[nH]c3cc(-c4nc(-c5ccccc5)no4)ccc3c2=O)c1 225547526 QHXIXDGOLBUTEE-UHFFFAOYSA-N 412.405 3.405 0 40 HGAB COc1ccc(CC(=O)NC2CCN(c3ncnc4c3CCCC4)CC2)cc1Cl 225737422 KBSUPMWISHWLEE-UHFFFAOYSA-N 414.937 3.345 0 40 HGAB CCOC(=O)COc1ccc(NC(=O)C2(C)COC(c3ccc(F)cc3)OC2)cc1 225919655 QDQFXFDGFOLEDH-UHFFFAOYSA-N 417.433 3.458 0 40 HGAB CC(C)Oc1ccc(NC(=O)C2(NS(=O)(=O)Cc3ccc(F)cc3F)CC2)cc1 225927964 UTKXZWNHCWQYTI-UHFFFAOYSA-N 424.469 3.343 0 40 HGAB Cc1cc(N2CCOCC2)nc(NC(=S)NCC2(c3ccccc3)CCCC2)n1 225972096 WAABEOFYAXAODO-UHFFFAOYSA-N 411.575 3.420 0 40 HGAB COc1ccc(CN2C[C@@H]3CN(C(=O)c4ccc(C)cc4)CCN3C(C)(C)C2)cc1 253401301 MSLQUXBDKXZFBN-JOCHJYFZSA-N 407.558 3.424 0 40 HGAB biogenic,in-vitro CC(=O)N1CCC(Cc2cccc(F)c2)(C(=O)N2CCC[C@H](c3ccn[nH]3)C2)CC1 257275278 NOQXFYRLRPNXEL-IBGZPJMESA-N 412.509 3.126 0 40 HGAB CCOc1ccc(NC(=O)COc2ccc(S(=O)(=O)NC(C)C)cc2C)cc1 408528909 HMUKMCZTBVFAIZ-UHFFFAOYSA-N 406.504 3.098 0 40 HGAB Cc1ccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccc(F)cc3)[C@H]2c2ccc(C)cc2)cc1 409051823 BUUYJMCNORFJNI-LMOLPZMTSA-O 416.476 3.459 0 40 HGAB O=C(NC[C@@H](Oc1ccc(F)cc1)C(=O)O)c1ccc(COc2ccc(F)cc2)o1 537366652 VOGXCTIEZLQWOM-LJQANCHMSA-N 417.364 3.399 0 40 HGAB Cn1cc([C@H]2[C@H](CNC(=O)[C@H]3C[C@@H]3c3ccc(F)cc3)CC(=O)N2C(C)(C)C)cn1 583621879 KEFSVENYZIEBAN-DZJZLKLXSA-N 412.509 3.167 0 40 HGAB O=C(NCc1ccc(Cl)cc1)N1CC[C@H](Oc2ncc(Br)cn2)C1 585147076 CRZLQOBTQMIYOJ-AWEZNQCLSA-N 411.687 3.255 0 40 HGAB C[C@@H]1C[C@H](NS(=O)(=O)c2ccc3nc(O)nc(O)c3c2)C[C@@H](c2ccccc2)C1 1561648623 PIYDSALBVHQZOR-BPUTZDHNSA-N 413.499 3.292 0 40 HGAB CNS(=O)(=O)c1cccc(NC(=O)Nc2cc(-c3ccc(C)s3)[nH]n2)c1C 1562489713 GGQACGUHZQIKJN-UHFFFAOYSA-N 405.505 3.307 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccccc3Cl)C2)cc1 791726 HNIKCXWLHRXTNP-KRWDZBQOSA-N 406.935 3.366 0 40 HGAB CCOc1ccccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccc(C)cc2C)C1 1289396 GZULCEJYNFRMTQ-QGZVFWFLSA-N 410.470 3.237 0 40 HGAB CCOC(=O)c1ccc(S(=O)(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1 1327536 NZBKLQIEVIHHFI-UHFFFAOYSA-N 413.499 3.308 0 40 HGAB COc1cccc(-c2noc([C@@H]3CCCN(S(=O)(=O)c4cccc(F)c4)C3)n2)c1 1360271 ULYPWMURQVDFFL-OAHLLOKOSA-N 417.462 3.453 0 40 HGAB CCCn1c(SCC(=O)Nc2ccc(OC)cc2OC)nnc1-c1cccnc1 1362303 FJWIOVVQMABTGT-UHFFFAOYSA-N 413.503 3.498 0 40 HGAB Cc1cccc(C(C)(C)C)c1NC(=O)C[C@H]1C(=O)Nc2ccccc2S1(=O)=O 1623962 FKSNZQTVRAYJFA-KRWDZBQOSA-N 400.500 3.416 0 40 HGAB CCCCc1cc(=O)oc2c(C)c(O[C@H](C)C(=O)N[C@H](C(=O)O)C(C)C)ccc12 2106529 WUXNPQVTAAWSGM-KUHUBIRLSA-N 403.475 3.437 0 40 HGAB biogenic Cc1cccc(-c2nnc(SCC(=O)Nc3cccc(Br)c3)n2N)c1 2388855 XQVBHMGGNOWDDM-UHFFFAOYSA-N 418.320 3.461 0 40 HGAB CCOC(=O)CSc1nnc(CNC(=O)c2cccs2)n1-c1ccc(F)cc1 2498410 AISWPZOMPWMZRF-UHFFFAOYSA-N 420.491 3.053 0 40 HGAB Cc1ccc(-n2c(SCc3cc(=O)[nH]c(=O)[nH]3)nnc2-c2ccccc2)cc1C 3340033 MXNKIVAGKDUGSO-UHFFFAOYSA-N 405.483 3.220 0 40 HGAB Cc1ccc([C@H]2[C@H](C(=O)OCC(C)C)C(=O)C[C@@](C)(O)[C@@H]2C(=O)OCC(C)C)cc1 4127307 HPCNXPUAEASMIE-SEDAZVQISA-N 418.530 3.433 0 40 HGAB C[C@H]1CN(C(=O)CSc2ncnc3c2cnn3-c2ccc(Cl)cc2)C[C@H](C)O1 4341684 AWQJXMQKFDXELH-STQMWFEESA-N 417.922 3.197 0 40 HGAB Cc1cc(C)n(-c2nc(-c3ccccc3)cc(=O)n2CC(=O)N2CCCCCC2)n1 4853492 RUSFAIIVGCIGTO-UHFFFAOYSA-N 405.502 3.115 0 40 HGAB COc1ccc(-c2noc(CNC(=O)COc3ccc(Cl)cc3)n2)cc1OC 4943721 KEBVFIDIXPXLHD-UHFFFAOYSA-N 403.822 3.102 0 40 HGAB O=C(COC(=O)Cc1ccc2ccccc2c1)Nc1ccccc1C(=O)NC1CC1 5917631 LZXMTXCMOQONGV-UHFFFAOYSA-N 402.450 3.456 0 40 HGAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COC(=O)CCC1CCCCC1 5987376 IUZCULDMNFLLIX-UHFFFAOYSA-N 410.536 3.088 0 40 HGAB O=C1CN(C(=O)CSc2nc(C3CC3)n(-c3ccccc3)n2)c2ccccc2N1 6549475 IPNJVCAZDKQAHO-UHFFFAOYSA-N 405.483 3.222 0 40 HGAB CCOc1ccc([C@@H]2c3c(C)nn(C)c3NC(=O)[C@H]2NC(=O)c2cccc(C)c2)cc1 6779695 FKICZILSLSTSPS-RTWAWAEBSA-N 418.497 3.318 0 40 HGAB COc1ccc(C(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1S(=O)(=O)NC1CC1 7313063 WGTBDQLCSUILFY-LBPRGKRZSA-N 408.907 3.280 0 40 HGAB CN(C)c1ccc(C(F)(F)F)cc1NC(=O)CCN1C(=O)c2ccccc2C1=O 7794100 QZPZDWWTTUHPIM-UHFFFAOYSA-N 405.376 3.396 0 40 HGAB COc1ccc(N2C(=O)CC[C@@H](C(=O)NC3=NCCS3)[C@H]2c2ccccc2)cc1 7986883 JTVGMGJYYXJIIX-UYAOXDASSA-N 409.511 3.399 0 40 HGAB Cc1ccc(C)c(N2N=C(C(=O)N[C@H](C)c3ccc4c(c3)OCCO4)CCC2=O)c1 8072951 VXNPJXMLGHIOEK-MRXNPFEDSA-N 407.470 3.435 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)[C@H]1COc2ccccc2C1 8114551 IHDRNYLJMVHPIN-GOSISDBHSA-N 414.527 3.359 0 40 HGAB O=C(CSc1nnnn1-c1ccccc1)N1CCS[C@H]1c1ccccc1F 8141948 WGZFIJPEJZAURM-KRWDZBQOSA-N 401.492 3.168 0 40 HGAB COc1ccc(OC)c(NC(=O)[C@H]2C[C@H](C(C)C)N[C@@]23C(=O)Nc2ccc(C)cc23)c1 9042716 GDXJQZFJTRLPIA-ROMRWMGNSA-N 423.513 3.432 0 40 HGAB COc1ccc(C(=O)NCCc2nnc(SCC(=O)c3ccc(C)cc3)n2C)cc1 9615004 YMSYBMYZIQEKOW-UHFFFAOYSA-N 424.526 3.080 0 40 HGAB CCOC(=O)c1cc(NC(=O)COC(=O)c2ccc3c(c2)OCO3)ccc1Cl 10040707 YPQFCTBUAIHONV-UHFFFAOYSA-N 405.790 3.041 0 40 HGAB COC(=O)c1ccc(-c2c(Nc3ccccc3C)oc3c2c(=O)n(C)c(=O)n3C)cc1 11614581 LCXDJSXLDVFKKN-UHFFFAOYSA-N 419.437 3.336 0 40 HGAB O=C(CSc1nnc(Cc2ccccc2)n1-c1ccccc1)NC[C@@H]1CCCO1 12105336 GWLILFSAWGVWLO-IBGZPJMESA-N 408.527 3.245 0 40 HGAB COc1ccc(-c2ccc(=O)n(CC3CCN(C(=O)c4ccco4)CC3)n2)cc1OC 12155998 AMRIVGSAIVWNNB-UHFFFAOYSA-N 423.469 3.073 0 40 HGAB O=C(CCNC(=O)N1CCc2c([nH]c3ccccc23)C1)Nc1ccc2c(c1)OCCO2 12297065 FDOURNVMYCIPLX-UHFFFAOYSA-N 420.469 3.036 0 40 HGAB biogenic COc1ccc(CN2CCC3(CC2)CN(C(C)=O)Cc2ccccc2O3)c(OC)c1 12365520 NOBIMRGBDLAYMR-UHFFFAOYSA-N 410.514 3.480 0 40 HGAB C[C@@H](Cc1cccs1)C(=O)N1CCC([C@@H]2C[C@H](C(F)F)n3ncnc3N2)CC1 12407897 RMWMXIFOFAMJRA-VBNZEHGJSA-N 409.506 3.447 0 40 HGAB CCOC(=O)c1ccc(N2CC3=C(C2=O)[C@H](c2ccc(C)cc2)NC(=O)N3C)cc1 12411012 UXXKGDZXEQIAGA-FQEVSTJZSA-N 405.454 3.169 0 40 HGAB CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2cnc(-c3ccccc3)nc2)c1 12754967 WPMNWSSCXHHLCE-UHFFFAOYSA-N 410.499 3.426 0 40 HGAB O=C(Nc1nnc(CCc2ccccc2)s1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 12857898 YGLIVUOZFFZHGZ-HNNXBMFYSA-N 410.474 3.454 0 40 HGAB O=C(Nc1ccc(F)c(F)c1)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 12911403 XCTZVDQAHYNNLC-UHFFFAOYSA-N 420.481 3.493 0 40 HGAB CCN(CC(=O)Nc1cc2c(cc1Cl)OCO2)C[C@@H]1COc2ccccc2O1 12971938 QLSTYQCVMOMCBL-CYBMUJFWSA-N 404.850 3.169 0 40 HGAB Cc1ccc(NC(=O)CN2CCN(C(=O)COc3ccc(Cl)c(C)c3)CC2)cc1 12974077 BOUVIWZKYIIDNS-UHFFFAOYSA-N 415.921 3.119 0 40 HGAB C[C@@H](NC(=O)c1cccc(S(=O)(=O)NC2CC2)c1)c1ccccc1Br 12989321 PQAMOKIOCSJGRL-GFCCVEGCSA-N 423.332 3.381 0 40 HGAB Cc1nn(-c2ccc(N3CCN(C(=O)Nc4ccc(F)cc4)CC3)nn2)c(C)c1C 13009170 OVWBDTBIISBFJU-UHFFFAOYSA-N 409.469 3.081 0 40 HGAB COc1ccc(C(=O)NCc2ccc(C)cc2)cc1S(=O)(=O)NC1CCCC1 13059558 MUXNANULYSOUHL-UHFFFAOYSA-N 402.516 3.155 0 40 HGAB CCN(CC(=O)Nc1ccc2c(c1)OCO2)CC(=O)Nc1ccccc1C(F)(F)F 13146053 WQAGIMXIMDYMLY-UHFFFAOYSA-N 423.391 3.333 0 40 HGAB CC(=O)Nc1ccc(S(=O)(=O)NCc2ccc(COCC(F)(F)F)cc2)cc1 14099659 PCCYVTSQIRZVME-UHFFFAOYSA-N 416.421 3.202 0 40 HGAB CCn1c(SCC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)nnc1C1CC1 14142102 GCRPTTHJSCLPPO-INIZCTEOSA-N 414.531 3.402 0 40 HGAB C[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)NCCc1ccc(Cl)cc1Cl 14201512 ZQUCKEQNFDNPRJ-LLVKDONJSA-N 419.305 3.158 0 40 HGAB CCOc1ccc(NC(=O)c2cccc(N3C(=O)C(C)(C)CS3(=O)=O)c2)cc1 15858664 AWVHNEZGLCUESH-UHFFFAOYSA-N 402.472 3.040 0 40 HGAB COc1ccc(/C=C/C(=O)N(Cc2ccccc2F)[C@@H]2CCS(=O)(=O)C2)cc1 16750017 UZGKJRZWLITLOR-VEGGFIAOSA-N 403.475 3.063 0 40 HGAB CCS(=O)(=O)N1CCc2ccc(NC(=O)c3ccc(Br)o3)cc2C1 17316671 WJXYMZGXHIJLGA-UHFFFAOYSA-N 413.293 3.002 0 40 HGAB COc1cc(C(=O)N2CCc3onc(Nc4c(C)cccc4C)c3C2)nc(OC)n1 19235794 AJRYRCBJUXLOCR-UHFFFAOYSA-N 409.446 3.041 0 40 HGAB Cn1cc(CN2CCC([C@H](NC(=O)Cc3ccccc3)c3ccccn3)CC2)cn1 19290646 HCRBDQOGQAKXDQ-DEOSSOPVSA-N 403.530 3.127 0 40 HGAB CCCn1ncc(C)c1NC(=O)CN1C(=O)N2CCCN=C2c2ccc(Cl)cc21 19525917 LCOIVHSXCDKHHA-UHFFFAOYSA-N 414.897 3.286 0 40 HGAB COc1cc(C)ccc1CN1CCO[C@H](c2nccnc2-c2ccc(C(N)=O)cc2)C1 19693279 MTUXBEJAXOOFBU-NRFANRHFSA-N 418.497 3.133 0 40 HGAB COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(F)c(C(F)(F)F)c2)cc1 20012946 NXMOTGNGLNONHX-UHFFFAOYSA-N 420.384 3.112 0 40 HGAB Cc1c(CCC(=O)N2CCN(C)CC2)c(=O)oc2cc3oc4c(c3cc12)CCCC4 20592254 CIOZLVBGJSINPP-UHFFFAOYSA-N 408.498 3.433 0 40 HGAB CC(=O)Nc1cccc(NC(=O)CN2CCN(Cc3nc4ccccc4s3)CC2)c1 22777250 ZGBYHJYXVWNFBX-UHFFFAOYSA-N 423.542 3.011 0 40 HGAB COc1ccc(CN(C)C(=O)c2ccccc2S[C@H]2CCS(=O)(=O)C2)cc1 24400239 XQPGCGBHQFNPDU-KRWDZBQOSA-N 405.541 3.247 0 40 HGAB CNS(=O)(=O)c1cc(C(=O)N(Cc2ccco2)Cc2cccs2)ccc1OC 24459787 VIQNMOXTORXVHP-UHFFFAOYSA-N 420.512 3.100 0 40 HGAB C[C@H](Sc1nnnn1C1CCCC1)C(=O)N(C)CCOc1ccc(Cl)cc1 28146710 PXOFYYMOJVIBNX-ZDUSSCGKSA-N 409.943 3.460 0 40 HGAB CC[C@@H](C)NC(=O)c1ccccc1NS(=O)(=O)c1cc(C(=O)OC)ccc1C 28237706 PSEMLDPOCWNYMG-CQSZACIVSA-N 404.488 3.111 0 40 HGAB CS(=O)(=O)Nc1nc(CC(=O)Nc2ccccc2Cc2ccccc2)cs1 29975248 WCSSZECRQPUSPO-UHFFFAOYSA-N 401.513 3.287 0 40 HGAB COc1ccc(CCCN(C)C(=O)c2ccc(=O)n(Cc3ccccc3)n2)cc1OC 31496186 FOIAHKILLRIRFL-UHFFFAOYSA-N 421.497 3.014 0 40 HGAB O=C(Cn1nnc(-c2ccc(Br)cc2)n1)Nc1ccnn1C1CCCC1 31731663 ADKWUXJLIYZORT-UHFFFAOYSA-N 416.283 3.053 0 40 HGAB COc1cccc([C@H](c2nnnn2C(C)C)N2CCN(c3ccccc3)CC2)c1OC 35310715 FLMXVMBAIVJBRS-OAQYLSRUSA-N 422.533 3.183 0 40 HGAB COc1cc(-c2noc(-c3ccc(S(=O)(=O)NC4CC4)o3)n2)ccc1OC(C)C 36359277 CCGAKDKXAMWIKL-UHFFFAOYSA-N 419.459 3.233 0 40 HGAB C[C@@H](NC(=O)CN1CCN(c2ncccn2)CC1)c1ccc(-c2ccccc2)cc1 36387045 VMAQMAXBNZKXBP-LJQANCHMSA-N 401.514 3.143 0 40 HGAB CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)N1CCN(c3cccc(Cl)c3)CC1)C(=O)C2 36636378 VFVJBXOIGABCAW-YWZLYKJASA-N 410.967 3.187 0 40 HGAB CCn1c(=O)c2ccccc2n(Cc2nc(-c3cccc(C(F)(F)F)c3)no2)c1=O 38652701 VFWLTHFHPAYPST-UHFFFAOYSA-N 416.359 3.300 0 40 HGAB Cc1ccc(C)c(-c2cc3c(=O)n(CC(=O)Nc4cccc(C)c4C)ncn3n2)c1 51317019 BBOAXWGFMVJKRZ-UHFFFAOYSA-N 401.470 3.430 0 40 HGAB Cc1ccc(CNC(=O)Cn2c(=O)n(-c3cccc(C)c3)c(=O)c3sccc32)cc1 57490021 OYUCSUKYJROUMY-UHFFFAOYSA-N 419.506 3.147 0 40 HGAB CC1CCC(NS(=O)(=O)CC(=O)N2CCC[C@@H]2Cc2ccccc2Cl)CC1 60379155 NREHKEKSOCHTMA-VMWRSERWSA-N 412.983 3.372 0 40 HGAB O=C(Nc1ccc(I)cc1)c1ccc2c(=O)[nH]c(S)nc2c1 60614356 GHEGIUSEHDAUEK-UHFFFAOYSA-N 423.235 3.069 0 40 HGAB COc1ccccc1CNC(=O)CCc1nc(-c2cc3cc(C)ccc3[nH]c2=O)no1 64789977 UFFUTVWFLINPJC-UHFFFAOYSA-N 418.453 3.144 0 40 HGAB NC(=O)[C@@H](NC(=O)CSc1nc2ccccc2o1)c1ccc(Br)cc1 65474433 KVTDWAXXWPKCST-HNNXBMFYSA-N 420.288 3.025 0 40 HGAB COc1ccc(CN2CCN(S(=O)(=O)c3ccc(C(C)=O)cc3)CC2)c(Cl)c1 72309075 KFPYQDNOINWCLP-UHFFFAOYSA-N 422.934 3.058 0 40 HGAB Cc1ccc2[nH]nc(C(=O)N(C)C[C@@H](O)COc3ccccc3C(F)(F)F)c2c1 72310417 SFZGETWXNGDRBA-CYBMUJFWSA-N 407.392 3.402 0 40 HGAB CN(C)C(=O)CN1CCC[C@H](c2nc(N)ncc2-c2ccc(C(F)(F)F)cc2)C1 72346064 MHOFRWBSXMRXDK-AWEZNQCLSA-N 407.440 3.012 0 40 HGAB O=C(CN1CC[C@@H](c2cc(CCOc3ccc(F)cc3)[nH]n2)C1)NC1CCCCC1 72371247 IRZFROVPHVAEGK-QGZVFWFLSA-N 414.525 3.409 0 40 HGAB COCCOc1ccc(CN2CCC[C@H](c3cc(C(F)F)n4ncnc4n3)C2)cc1 72395325 VNYLCXRKCRLXON-INIZCTEOSA-N 417.460 3.467 0 40 HGAB Cc1noc(-c2ccc(N3CCC[C@H](C(=O)Nc4ccc5c(c4)OCCO5)C3)nc2)n1 77100759 BVLKVPVCFNFXAZ-INIZCTEOSA-N 421.457 3.066 0 40 HGAB CN(C[C@H]1CCCN1C(=O)C[C@H]1Sc2ccccc2NC1=O)C(=O)OC(C)(C)C 78935044 QNUMKCKNARZSMU-RHSMWYFYSA-N 419.547 3.347 0 40 HGAB Cc1ccc(N2C[C@H](C(=O)N(c3ccc(C)cc3)[C@H]3C=CS(=O)(=O)C3)CC2=O)cc1 79052889 KWXKMJJVKJKTNS-NQIIRXRSSA-N 424.522 3.000 0 40 HGAB O=C(Nc1cccc(-c2nnco2)c1)N[C@@H]1CCS(=O)(=O)c2ccc(Cl)cc21 79107233 KWGMATALNPRQRG-OAHLLOKOSA-N 418.862 3.430 0 40 HGAB COc1cc(Br)c(S(=O)(=O)Nc2ccc(Cl)nc2)cc1C(=O)O 83915578 RTDXMUMPMWZZCG-UHFFFAOYSA-N 421.656 3.005 0 40 HGAB CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NC[C@H]1CCCN(C(=O)c2cccs2)C1 89661989 YBHVRCIUSFTNIF-CVEARBPZSA-N 421.563 3.116 0 40 HGAB CCC(=O)N1N=C(c2ccc(NS(C)(=O)=O)cc2)C[C@H]1c1cccc2nccnc12 95115950 NBMNQPRBNHKWIX-IBGZPJMESA-N 423.498 3.089 0 40 HGAB CCOc1ccccc1[C@H](CC(=O)NCCCCNC(=O)OC(C)(C)C)NC(C)=O 96004677 QPNAAZMJUGLIQU-SFHVURJKSA-N 421.538 3.074 0 40 HGAB CCOc1ccc([C@H]2CC(c3cccc(NS(C)(=O)=O)c3)=NN2C(C)=O)cc1 96012502 SGHJOFCWRPMISY-HXUWFJFHSA-N 401.488 3.154 0 40 HGAB CC(=O)Nc1ccc(CN2C[C@H](OCc3nc4ccc(F)cc4[nH]3)[C@H](F)C2)cc1 96112231 TUFXRJPDLMMYDJ-XLIONFOSSA-N 400.429 3.400 0 40 HGAB biogenic,in-vitro COc1cccc2c1ccn2CC(=O)N[C@@H](CCSC)c1nnc2ccccn12 96117911 LJWQSGFESLXBAI-INIZCTEOSA-N 409.515 3.303 0 40 HGAB COc1ccc(CCS(=O)(=O)NCc2ccc(C(=O)c3ccco3)s2)cc1 96119819 WHOWAONQVVZXNC-UHFFFAOYSA-N 405.497 3.243 0 40 HGAB COc1cccc(CC(=O)N2CC[C@H]3N(C)CC[C@@]3(C(=O)Nc3ccccc3)CC2)c1 96145277 RXVRKMZKUYPCJN-RCZVLFRGSA-N 421.541 3.189 0 40 HGAB COc1ccc(CN2CC[C@]3(CCN(S(=O)(=O)Cc4ccccc4)C3)C2)cc1F 96203122 JQKYKOYPLJFBCR-QFIPXVFZSA-N 418.534 3.262 0 40 HGAB CC(=O)c1ccc(N2C(=O)[C@H]3ON=C(c4ccc(Cl)cc4Cl)[C@H]3C2=O)cc1 101053993 BFTUPFFENDEOTF-WBVHZDCISA-N 403.221 3.489 0 40 HGAB CCS(=O)(=O)c1ccc(CC(=O)/N=c2/sc3cc(C)cc(C)c3n2C)cc1 101120066 SAHGXJVFYVVLCJ-QZQOTICOSA-N 402.541 3.320 0 40 HGAB COc1ccc(C2=NO[C@H]3C(=O)N(c4cccc(C(F)(F)F)c4)C(=O)[C@@H]23)cc1OC 102894835 FIZFELCGKLUBJV-DOTOQJQBSA-N 420.343 3.015 0 40 HGAB CSc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3cccc(C)c3)CC2)cc1 113955764 ASLKRJLRCSLTPN-UHFFFAOYSA-N 418.584 3.434 0 40 HGAB C[C@]12CC[C@@H](O)C[C@H]1CC[C@@H]1[C@@H]2[C@H](O)C[C@]2(C)[C@@H](c3ccc(=O)oc3)CC[C@@]12O 118916770 FMTLOAVOGWSPEF-WUPSTIONSA-N 402.531 3.213 0 40 HGAB CC[C@@H](C(=O)NCCCc1ccccc1OC)N(c1cccc(C)c1)S(C)(=O)=O 220515962 CVBBJKQJCHLIFH-FQEVSTJZSA-N 418.559 3.297 0 40 HGAB O=C(NCCOC(=O)c1snnc1-c1cccnc1)c1cccc(C(F)(F)F)c1 223853126 MIUMBZTVIGALDR-UHFFFAOYSA-N 422.388 3.206 0 40 HGAB COC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2ccccc2-n2ccnc2C)c1 223865680 OFSBCKPVEQTXBN-UHFFFAOYSA-N 419.890 3.099 0 40 HGAB CCOc1cccc(N(CC(=O)O)S(=O)(=O)c2ccc(Br)cc2)c1 224738640 BKGFOBOXWRFEOW-UHFFFAOYSA-N 414.277 3.128 0 40 HGAB COCc1cccc(NC(=O)CCCN(c2cccc(C(C)=O)c2)S(C)(=O)=O)c1 224851482 YDMHCNXCGFTDMC-UHFFFAOYSA-N 418.515 3.221 0 40 HGAB Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)Nc3ccc(F)cc3F)s2)c1 225160914 BOVCDLCUTTVFKH-UHFFFAOYSA-N 410.427 3.178 0 40 HGAB C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 225457532 TXYHPRATCRGAGI-SFHVURJKSA-N 422.525 3.406 0 40 HGAB O=C(CSCc1ccccc1)NCCc1nc2c(c(C(F)(F)F)n1)COCC2 225580675 RBRHHDRSAJYDBH-UHFFFAOYSA-N 411.449 3.160 0 40 HGAB COc1ccc(F)cc1-c1cc(C(F)(F)F)nn1-c1ccc(S(N)(=O)=O)cc1 225793705 MDWOZJWBUAGRTF-UHFFFAOYSA-N 415.368 3.353 0 40 HGAB FC(F)(F)c1ccc(N2CCN(C3CCN(C[C@@H]4CCCCO4)CC3)CC2)nc1 239611809 FEUBOZMNKVHPDJ-IBGZPJMESA-N 412.500 3.256 0 40 HGAB O=S(=O)(NC[C@H](c1ccco1)N1CCSCC1)c1cccc(C(F)(F)F)c1 245026679 NFVXKCMWGJUPEJ-OAHLLOKOSA-N 420.478 3.367 0 40 HGAB CN(CCc1ccccn1)C(=O)[C@@H]1C[C@H]2CC[C@@]1(C)C[C@@]21NC(=O)c2ccccc2O1 253597058 ZPFSEKJMBPOXEM-NZLNSGGTSA-N 419.525 3.428 0 40 HGAB COc1ccc(N([C@@H](C)C(=O)N[C@H](C)c2cc(C)ccc2C)S(C)(=O)=O)cc1 260452964 BEGIJHOYLVAVPA-SJORKVTESA-N 404.532 3.344 0 40 HGAB Cc1ccc(CNC(=O)c2nc([C@H]3CCCN3C(=O)N(C)C)n3ccccc23)cc1 306131947 KTSJXWDVRINUFX-LJQANCHMSA-N 405.502 3.391 0 40 HGAB COc1ccccc1NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1 408603458 KDMCCMASDKUACA-FQEVSTJZSA-N 410.495 3.224 0 40 HGAB COC(=O)c1ccc(-c2ccc([C@@H]3NC(=S)NC(C)=C3C(=O)OC(C)C)o2)cc1 408606115 OEHKEQJDTPVIRY-SFHVURJKSA-N 414.483 3.478 0 40 HGAB CCOc1ccc(N([C@H](C)C(=O)N[C@H](C)CCc2ccccc2)S(C)(=O)=O)cc1 408629787 HXPJPIYDZJEIEW-QZTJIDSGSA-N 418.559 3.377 0 40 HGAB C[C@@H]1C=CC[C@H]2C(=O)N(c3ccc(C(=O)Nc4ccccc4C(=O)O)cc3)C(=O)[C@H]12 408673588 UAPLLPHSXWRNAU-OMWUSAIZSA-N 404.422 3.339 0 40 HGAB O=C(O)c1cc2c(c(S(=O)(=O)Nc3ccc(N4CCCC4=O)cc3)c1)CCCC2 515626509 LOUDJCSVGFLOGC-UHFFFAOYSA-N 414.483 3.191 0 40 HGAB Cc1sc(-n2cnnn2)c(C(=O)NCCCCCc2nc3ccccc3n2C)c1C 524734664 ACVAWAIZDIBBCZ-UHFFFAOYSA-N 423.546 3.370 0 40 HGAB O=C(NCCc1ccc(F)c(F)c1)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 526045437 NZUYNPBQNWZSES-UHFFFAOYSA-N 412.440 3.156 0 40 HGAB Cc1cc(C)n([C@@H](CNC(=O)C(=O)NCCC2=CCCCC2)c2ccsc2)n1 575614524 VURSQRXLOOEGOO-IBGZPJMESA-N 400.548 3.274 0 40 HGAB COC(=O)c1ccc(S(=O)(=O)NCC2(c3ccc([C@@H](C)O)s3)CCCC2)cc1 585371206 OTGRKCRYYDYZBN-CQSZACIVSA-N 423.556 3.378 0 40 HGAB CN1CCOc2ccccc2CCCC[C@]2(CN(C(=O)c3ccccc3)CCO2)C1=O 643557550 XSUYJSYEOOPHFT-VWLOTQADSA-N 422.525 3.162 0 40 HGAB C[C@@H](Cc1cn(C)c2ccc(F)cc12)NC(=O)Nc1ccc(-c2cnn(C)c2)nn1 1669437365 OLIRGAPZVCFBRZ-ZDUSSCGKSA-N 407.453 3.261 0 40 HGAB CC[C@@H]1CN(C(=O)c2ccc(OC)cc2)[C@H](CO)[C@@H]1CN(C)CCc1ccccc1 1772594900 FEJFQOSMLPAWKO-AGILITTLSA-N 410.558 3.329 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CC[C@@H]4CCCC[C@@H]4C3)C2)cc1 953278 ZOHPBAKJKWPQEB-XUVXKRRUSA-N 404.576 3.434 0 40 HGAB O=C(Cn1nnc(-c2ccccc2NC(=O)c2cccs2)n1)Nc1ccccc1 1361794 QIRXFCOKGJAYTH-UHFFFAOYSA-N 404.455 3.293 0 40 HGAB Nn1c(SCC(=O)Nc2ccccc2Br)nnc1-c1ccccc1 2220185 LZWFURJIGIUQLY-UHFFFAOYSA-N 404.293 3.152 0 40 HGAB COc1cc(-c2nc3c4cnn(-c5ccc(C)cc5)c4ncn3n2)cc(OC)c1OC 2424017 LLQAFWHXFJYWIJ-UHFFFAOYSA-N 416.441 3.464 0 40 HGAB COC(=O)c1ccc(CN2C(=O)NC(Cc3ccccc3)(Cc3ccccc3)C2=O)o1 2646736 OQMNGGZAIBLPBP-UHFFFAOYSA-N 418.449 3.342 0 40 HGAB Cc1ccc(-n2ncc3c(O)nc(SCC(=O)Nc4nccs4)nc32)cc1C 2718076 NSWOXITXSFSQDE-UHFFFAOYSA-N 412.500 3.325 0 40 HGAB CCc1ccc2c(COC(=O)CCS(=O)(=O)c3ccccc3)cc(=O)oc2c1 3308644 HRPMNAYSCXPRNS-UHFFFAOYSA-N 400.452 3.263 0 40 HGAB COc1ccc(NC(=O)CSc2nnc(-c3cccc(Cl)c3)n2N)cc1OC 3472523 VEDFNKWIJXNWTF-UHFFFAOYSA-N 419.894 3.060 0 40 HGAB Cc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)Nc2ccc(C(N)=O)cc2)cc1 3488276 UAYQIPQSMJAZPB-UHFFFAOYSA-N 416.433 3.120 0 40 HGAB CC(C)CNC(=O)COC(=O)c1ccc2c(c1)C(=O)N(c1ccc(Cl)cc1)C2=O 3499329 FGJMPGQONBUGLS-UHFFFAOYSA-N 414.845 3.070 0 40 HGAB CCOC(=O)CSc1nnc(NC(=O)c2cccc(Br)c2)s1 4078357 WVDCUNSCCHNORR-UHFFFAOYSA-N 402.295 3.208 0 40 HGAB NC(=O)c1oc2ccccc2c1NC(=O)c1ccccc1I 4135105 OPYDHMVGVHSYGE-UHFFFAOYSA-N 406.179 3.389 0 40 HGAB O=C(COc1coc(CN2CCc3ccccc32)cc1=O)NCc1ccc(F)cc1 4304645 UTXOVKRZPBYRJD-UHFFFAOYSA-N 408.429 3.037 0 40 HGAB CCn1c(CNC(=O)c2ccco2)nnc1SCC(=O)Nc1c(C)cccc1C 4816418 KZKAXNSWFCZJGS-UHFFFAOYSA-N 413.503 3.169 0 40 HGAB COc1ccc(NC(=O)c2ccc(C)c(N3CCCCS3(=O)=O)c2)c(OC)c1 5135885 YVCXQTQHOMLGTF-UHFFFAOYSA-N 404.488 3.195 0 40 HGAB CCS(=O)(=O)c1cccc(C(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C)C3)c1 5241361 WWIJITVOSJNVBT-NSHDSACASA-N 406.529 3.018 0 40 HGAB COc1ccc(CNC(=O)[C@H](C)Sc2nc3cc(Cl)cnc3[nH]2)cc1OC 7175749 AOUUMOGXOYHAGF-JTQLQIEISA-N 406.895 3.426 0 40 HGAB CC(=O)c1ccccc1NC(=O)CN1C[C@@H](C(=O)N2CCCCC2)Oc2ccccc21 7252028 QNMBHTJHMZXKAA-QFIPXVFZSA-N 421.497 3.108 0 40 HGAB CC(=O)c1cc2c(cc1NC(=O)CN(Cc1cccs1)C[C@@H]1CCCO1)OCO2 7927451 ZJYWWMQZOHGZRQ-HNNXBMFYSA-N 416.499 3.299 0 40 HGAB C[C@H]1Oc2ccc(NC(=O)c3ccc(Cn4nnc5ccccc54)cc3)cc2NC1=O 8017132 HMAIDETZHUZXFT-CQSZACIVSA-N 413.437 3.451 0 40 HGAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CSc1nnnn1C1CCCCC1 8324931 SWBYJACTGKMPRJ-CYBMUJFWSA-N 400.508 3.034 0 40 HGAB CN(C)S(=O)(=O)c1ccc(C(=O)NCc2cc(-c3ccc(Cl)cc3)on2)cc1 11613430 MDOAKPKKLYEKJD-UHFFFAOYSA-N 419.890 3.175 0 40 HGAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)C(=O)c1ccc2ccccc2n1 11919162 MYXMMAKSMOTTGX-OAHLLOKOSA-N 402.454 3.071 0 40 HGAB Cc1sc2nc(C)n(C3CCN(CC(=O)NC4CCCC4)CC3)c(=O)c2c1C 12145421 WUSFLSHZDJCOAX-UHFFFAOYSA-N 402.564 3.079 0 40 HGAB CCS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)Cc3ccc(C)cc3)cc21 12180673 ZXAHJADVTKIXOU-UHFFFAOYSA-N 408.545 3.039 0 40 HGAB CCOC(=O)[C@](NC(=O)CC)(Nc1cc(C(F)(F)F)ccc1OC)C(F)(F)F 12418328 YAMBZRYJSFHIAQ-CQSZACIVSA-N 416.318 3.474 0 40 HGAB Cn1c(=O)c2cc(C(=O)Nc3ccc(Oc4ccccc4)cc3)sc2n(C)c1=O 12422759 FGNOJUHNHTUINN-UHFFFAOYSA-N 407.451 3.343 0 40 HGAB C[C@H]1CN(C(=O)c2ccc(NS(=O)(=O)c3ccc(F)c(F)c3)cc2)C[C@H](C)O1 12508063 IMLITECMWGNXRA-STQMWFEESA-N 410.442 3.015 0 40 HGAB COc1ccc(COC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2C)cc1OC 12756720 HITSIFVLBPFTTL-UHFFFAOYSA-N 419.499 3.154 0 40 HGAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1O 12784199 RRUATGFZNAAORQ-CYBMUJFWSA-N 424.906 3.236 0 40 HGAB CCn1c(=O)c(C)nc2cc(C(=O)N3CCC([C@H](O)c4ccccc4)CC3)ccc21 12978449 URRDIZXSMYTDOX-JOCHJYFZSA-N 405.498 3.311 0 40 HGAB O=C(/C=C/c1c(F)cccc1Cl)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 12995791 YLTAMVXXPIBADA-MDZDMXLPSA-N 422.909 3.167 0 40 HGAB Cc1ccccc1CN(C)[C@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 13040382 AIHXSZXTMAGJLH-GOSISDBHSA-N 415.559 3.239 0 40 HGAB CC[C@]1(c2ccc(Cl)cc2)NC(=O)N(CN2CCN(c3ccccc3)CC2)C1=O 13098106 ZRALWAXIBSWZIP-JOCHJYFZSA-N 412.921 3.277 0 40 HGAB Cc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4C)C(=O)[C@@H]3[C@@H]3CCCN32)cc1 13556802 OFZSRVMXIITFEV-CBPXPLCBSA-N 402.494 3.447 0 40 HGAB CCCNC(=O)CN1CCN(c2ncnc3scc(-c4ccc(C)cc4)c23)CC1 14201655 XPGDCRASYMHABW-UHFFFAOYSA-N 409.559 3.315 0 40 HGAB O=C(c1ccncc1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)CN(CC1CCCCC1)CC2 19404845 GXQNUPWCNVUXDK-NRFANRHFSA-N 421.545 3.081 0 40 HGAB Cc1cc(C(=O)Nc2ccccc2NC(=O)CN2CCOCC2)nc2ccccc12 19716867 QYDLIZDENPYIIE-UHFFFAOYSA-N 404.470 3.066 0 40 HGAB COc1ccc(CN2C(=O)Cc3c(C)nc([C@@H]4CCCN4C(=O)C(C)C)nc32)cc1 19739908 GTTYBWSJKMNPKV-IBGZPJMESA-N 408.502 3.202 0 40 HGAB CCOC(=O)Cc1c(C(=O)OCC)nnc2c(-c3cccc4ccccc34)cnn12 19817053 RTCXOXKJDKJJQB-UHFFFAOYSA-N 404.426 3.227 0 40 HGAB CCOC(=O)[C@@H]1C(=O)N(CCCOC)c2nc3ccccc3n2[C@H]1c1ccccc1C 19818453 HZVDMBJOQHTCBF-SFTDATJTSA-N 421.497 3.497 0 40 HGAB CC(C)Oc1cccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)c1 20107983 AASIUEOEYOWSTP-QGZVFWFLSA-N 422.572 3.252 0 40 HGAB CCc1cccc(CC)c1NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C 20245273 MRBJTJCHXSELDD-UHFFFAOYSA-N 407.511 3.202 0 40 HGAB CCc1ccc(-c2c3c(nc4nc(N5CCOCC5)nc(N)c24)CCCC3=O)cc1 20673545 ZSPSRGWFYYVQFA-UHFFFAOYSA-N 403.486 3.192 0 40 HGAB O=C(CCN1CCN(CC(=O)Nc2ccccc2Cl)CC1)Nc1ccccc1F 20767360 YEJIUTBLWPCKCR-UHFFFAOYSA-N 418.900 3.064 0 40 HGAB CCc1nc(C)c2c(C)c(C(=O)Nc3ccc(N4CCN(C)CC4)nc3)sc2n1 22611595 ZGJBLSSKFOFIGF-UHFFFAOYSA-N 410.547 3.270 0 40 HGAB COCCCNC(=O)c1cc(-c2ccc3c(c2)OCCO3)nc2c1cnn2C(C)C 22688456 IYBXGIBQWNUBDV-UHFFFAOYSA-N 410.474 3.217 0 40 HGAB O=C(NC[C@@H](c1cccs1)N1CCOCC1)[C@H]1COc2ccc(Cl)cc2C1 22767283 PYFQRYSGFXKWHF-WBVHZDCISA-N 406.935 3.142 0 40 HGAB COc1ccc([C@H](CNCc2ccc(OC)c(OC(F)F)c2)N2CCOCC2)cc1 22789514 DBXYBWASSMUFAY-IBGZPJMESA-N 422.472 3.468 0 40 HGAB O=C(CCN1CCN(CC(=O)Nc2cccc(F)c2)CC1)Nc1cccc(Cl)c1 22912674 UKXQHMLRYJNFKH-UHFFFAOYSA-N 418.900 3.064 0 40 HGAB COc1ccc([C@@H](CC(=O)OC(C)C)NC(=O)c2cc3ccccc3c(=O)[nH]2)cc1 23007825 IPLALFNRJSBLEH-LJQANCHMSA-N 408.454 3.350 0 40 HGAB CC(=O)c1cccc(OC[C@H](O)CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 23387390 CIRVJOXRIAAPON-HXUWFJFHSA-N 422.447 3.470 0 40 HGAB O=S(=O)(c1ccc(Cl)cc1)N1CCN(Cc2nc3ccccc3s2)CC1 23753220 BZJUEYORGUTCNE-UHFFFAOYSA-N 407.948 3.456 0 40 HGAB CCN1CCN(C(=O)[C@H](C)NC[C@@H](c2ccccc2)c2c[nH]c3ccccc23)CC1 24177950 VAXIYHFGOSSRCP-UGKGYDQZSA-N 404.558 3.442 0 40 HGAB NC(=O)Cc1nc2ccccc2n1C[C@@H](O)COc1ccc(Oc2ccccc2)cc1 24829227 GKFZUHJLPLJUPT-QGZVFWFLSA-N 417.465 3.296 0 40 HGAB CNC(=O)c1ccccc1NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 27398879 YBEXDLBZBTXSSN-UHFFFAOYSA-N 409.467 3.099 0 40 HGAB O=S(=O)(NC1C[C@@H]2CC[C@H](C1)N2Cc1ccc2c(c1)OCO2)c1ccc(F)cc1 27698340 WRNDFAXKIYFZBL-AYHJJNSGSA-N 418.490 3.028 0 40 HGAB C[C@H](NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1)c1ccc(C(F)(F)F)cc1 28328104 SXMSOEQQHRNWJG-NSHDSACASA-N 407.435 3.148 0 40 HGAB CCc1ccccc1NS(=O)(=O)c1cc2c(cc1Br)NC(=O)CO2 31666464 KYLUSZWJWLPECX-UHFFFAOYSA-N 411.277 3.143 0 40 HGAB CN(C)C(=O)c1ccc(Cl)c(NC(=O)c2cc(S(C)(=O)=O)ccc2Cl)c1 31734062 RBZLQKADOZRBCF-UHFFFAOYSA-N 415.298 3.351 0 40 HGAB COc1ccc(OC)c(-n2cnc3cc(C(=O)NCc4ccccc4)ccc3c2=O)c1 32073451 PQSZANXEUDGJDZ-UHFFFAOYSA-N 415.449 3.333 0 40 HGAB Cn1cc(C(=O)NCCNC(=O)c2ccccc2Br)c2ccccc21 32095428 JEGOHKQSXYYDIV-UHFFFAOYSA-N 400.276 3.101 0 40 HGAB CC(C)C(=O)Nc1ccc2c(c1)nc1n2CC(=O)N(C[C@@H]2CCCN3CCCC[C@H]23)C1 32124054 NIIOKZHEXBIWMP-FXAWDEMLSA-N 423.561 3.238 0 40 HGAB biogenic Cc1cccc(-c2nnc(SCC(=O)Nc3cccc(C)c3C)n2CC(N)=O)c1 32741914 UIXWEBPZPJPTBP-UHFFFAOYSA-N 409.515 3.086 0 40 HGAB COc1cc(N2C[C@@H](C(=O)Nc3ccc(F)cc3C)CC2=O)cc(OC)c1OC 32796048 SMNDSYJHAWRSAL-ZDUSSCGKSA-N 402.422 3.152 0 40 HGAB CCc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H](C(=O)c2ccc(C)cc2)N2CCC[C@H]32)cc1 35876946 ONUBWOOSJJPPIG-YSFYHYPLSA-N 402.494 3.393 0 40 HGAB C[C@@]12CCC(=O)N1[C@H](C(=O)NCCc1ccc(OCc3ccccc3)cc1)CS2 40122122 LDWGHQDDFVINDN-NZQKXSOJSA-N 410.539 3.378 0 40 HGAB CN1C(=O)c2ccccc2[C@H](C(=O)NCc2cccnc2)[C@H]1c1ccc2c(c1)OCO2 40267923 LGFDVHZETKFAGF-FCHUYYIVSA-N 415.449 3.037 0 40 HGAB COc1cc(OC)cc([C@@H]2CC(O)=Nc3c2c(C)nn3-c2ccc3nnc(C)n3n2)c1 40283219 DXGXATKBNLNZNS-INIZCTEOSA-N 419.445 3.068 0 40 HGAB Cc1ccc(Nc2nc3c(c(=O)[nH]2)[C@@H](C(=O)Nc2ccc(C)cc2F)CC(=O)N3)cc1 40400535 YVZBYSOZARQMRX-AWEZNQCLSA-N 421.432 3.334 0 40 HGAB CCOC(=O)C1CCN([C@H](C)c2nc3sc4c(c3c(=O)[nH]2)CC[C@@H](C)C4)CC1 57369256 NRFLKKBLTASPPX-CHWSQXEVSA-N 403.548 3.446 0 40 HGAB Cc1c(C(=O)OCC2CCN(C(=O)OC(C)(C)C)CC2)nnn1-c1ccccc1 58129985 RWSIMHCTSPWTKL-UHFFFAOYSA-N 400.479 3.380 0 40 HGAB COc1ccc(NC(=O)NC[C@@H]([C@H]2CCOC2)N2CCCC2)c(C(F)(F)F)c1 58268945 CHJKYUKYUUWCNN-GUYCJALGSA-N 401.429 3.336 0 40 HGAB C[C@H]1CN(c2ccc(NC(=O)NCc3cccnc3-n3cccn3)cc2F)C[C@H](C)O1 58342856 INFCJSMNEWQGBL-HOTGVXAUSA-N 424.480 3.342 0 40 HGAB CCCCOc1ccc(-c2cc(C(=O)N3CCN(C(=O)c4ccco4)CC3)[nH]n2)cc1 72331255 NGIIPXYVGMFEQY-UHFFFAOYSA-N 422.485 3.447 0 40 HGAB CC[C@H](C)NC(=O)CCc1c(C)nc2cc([C@H]3CCCN3C(=O)C3CC3)nn2c1C 72351312 HPAPVIVIOOEZMP-VBKZILBWSA-N 411.550 3.267 0 40 HGAB CCc1nccn1-c1cccc([C@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)n1 72379165 MXHHELVADIXIEF-GOSISDBHSA-N 400.479 3.495 0 40 HGAB CCOC(=O)c1sc(NC(=O)Cc2nn(C(C)C)c(=O)c3ccccc23)nc1C 72401341 NUKGENLABCFFQX-UHFFFAOYSA-N 414.487 3.100 0 40 HGAB CCc1c(C(=O)N(Cc2ccccc2)[C@@H](C)CN2CCOCC2)[nH]c(C)c1C(C)=O 78743458 UKCGEFFUQVOQKD-KRWDZBQOSA-N 411.546 3.451 0 40 HGAB CN(CC(=O)OCc1nc(-c2ccc(Br)s2)no1)[C@H]1CCSC1 89340038 DUYMUEOMVWMSBW-VIFPVBQESA-N 418.338 3.041 0 40 HGAB COc1ccccc1CNC(=O)c1ccc2c(=O)n(-c3ccc(F)cc3)cnc2c1 94993039 NTNWDDQMXZXKPI-UHFFFAOYSA-N 403.413 3.463 0 40 HGAB CN(Cc1ccc(C(=O)O)cc1)C(=O)c1ccc(Cn2cc(Br)cn2)o1 95425161 YRQDBMHNGONAEN-UHFFFAOYSA-N 418.247 3.257 0 40 HGAB O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Nc1nc2ccc(Br)cc2s1 95948007 WNHYKGJJHFJRKM-GHMZBOCLSA-N 422.304 3.173 0 40 HGAB C[C@@H]1CCCCN1CCNC(=O)[C@@H]1C[C@@H]2CC[C@]1(C)C[C@]21NC(=O)c2ccccc2N1 100116244 QTKGBJSIUXKRNT-MRDUCEFSSA-N 424.589 3.355 0 40 HGAB Cc1ccccc1-c1ncc(CN2C[C@H]3CCC[C@H](C2)C3(O)c2nccn2C)cn1 100728563 JLFVCAHAMYSPCK-WOJBJXKFSA-N 403.530 3.305 0 40 HGAB CCc1cc(=O)oc2cc(O[C@H](C)C(=O)NC[C@H]3CC[C@H](C(=O)O)CC3)ccc12 100766670 PFJDIEDFCSXTMD-FMKPAKJESA-N 401.459 3.130 0 40 HGAB O=Cc1ccc(OC(=O)c2ccc(N3C(=O)[C@H]4[C@@H]5C=C[C@H]([C@H]6C[C@H]56)[C@H]4C3=O)cc2)cc1 102076052 VFBIPGBKNXVZSJ-ILHTXMRTSA-N 413.429 3.276 0 40 HGAB Cc1ccccc1C(=O)N[C@H](C(=O)OCC(=O)N[C@H](C)[C@H]1C[C@H]2CC[C@H]1C2)C(C)C 105285661 ZQXAZUYHXVDOJH-CVZAHLFVSA-N 414.546 3.234 0 40 HGAB CCOC(=O)c1ccccc1NC(=O)[C@@H](CC)N(c1cccc(C)c1)S(C)(=O)=O 220496812 BALWMKWJDFRIEC-LJQANCHMSA-N 418.515 3.355 0 40 HGAB CC[C@@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(Cl)cc1 223417059 ORRYRLSADVXQBB-IBGZPJMESA-N 404.894 3.281 0 40 HGAB Cc1ccccc1OCCNC(=O)CCCN(c1cccc(C)c1C)S(C)(=O)=O 224743192 HCHILGRTKXSGLC-UHFFFAOYSA-N 418.559 3.353 0 40 HGAB COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2nnc(SC(C)C)s2)c1 225195890 VJRISHQGXTXJRS-UHFFFAOYSA-N 407.926 3.279 0 40 HGAB CCCc1ccc(OCCNS(=O)(=O)c2ccc(Cl)c(C(=O)OC)c2)cc1 225197089 QDMHMSBZFGZGBP-UHFFFAOYSA-N 411.907 3.436 0 40 HGAB CCN(CC(=O)N(C)c1ccc(C)c(C)c1)S(=O)(=O)c1cc(F)ccc1OC 226070042 CGLNMVUOGKRULD-UHFFFAOYSA-N 408.495 3.125 0 40 HGAB CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCC(C)(C)C)cc2)cc1 226084067 LYBOMWVWVOZMGF-UHFFFAOYSA-N 420.531 3.427 0 40 HGAB CN1CCN(C(=O)Cc2cccc(F)c2)[C@@H](Cc2ccc(-c3cccnc3)cc2)C1=O 257295591 QZAQXVRMGOBIOG-QHCPKHFHSA-N 417.484 3.342 0 40 HGAB COc1ccccc1[C@H]1CN(C(=O)c2ccccc2CN2CCCC2)CCN1C(C)=O 257303588 SHWBNDMSDDCDQX-HSZRJFAPSA-N 421.541 3.337 0 40 HGAB C[C@@H](NC(=O)[C@H](c1ccccc1)N(C)S(C)(=O)=O)c1ccc2c(c1)CCCC2 260920036 FHVZHOZCYNMQLX-IERDGZPVSA-N 400.544 3.375 0 40 HGAB CC1CCN(C(=O)COc2ccc(S(=O)(=O)N3CCc4ccccc43)cc2)CC1 408556939 LBBLRYOJEGBMPJ-UHFFFAOYSA-N 414.527 3.075 0 40 HGAB Cc1cc(S(=O)(=O)Nc2ccc(C(N)=O)cc2)ccc1NC(=O)c1ccccc1 408605043 JNTWKZQNBMHPLS-UHFFFAOYSA-N 409.467 3.147 0 40 HGAB COC[C@H](C)NC(=O)CN(C1CCCCC1)S(=O)(=O)c1c(C)cc(C)cc1C 408626514 ZEWXDBCLXVGINH-SFHVURJKSA-N 410.580 3.086 0 40 HGAB O=C(NCCc1c[nH]c2ccccc12)C(=O)Nc1ccccc1C(=O)NC1CCCC1 408709574 UHWXQWZGWIAIFZ-UHFFFAOYSA-N 418.497 3.138 0 40 HGAB O=C(O)CCc1ccc(-c2ccccc2)n1NC(=O)C[C@@H]1Oc2ccccc2NC1=O 408969386 NAXBPGBTCBYRCD-FQEVSTJZSA-N 419.437 3.032 0 40 HGAB CC[C@@H](C)NS(=O)(=O)c1ccc(OCC(=O)Nc2cc(C)ccc2OC)cc1 409206923 RGSBQUXFTKVAKP-OAHLLOKOSA-N 406.504 3.098 0 40 HGAB CCOC1(CNC(=O)[C@H]2CCC[C@H]2C(=O)NCC2(OCC)CCCC2)CCCC1 506412621 YMRGOQKAPZHJPD-KDURUIRLSA-N 408.583 3.334 0 40 HGAB O=C1C[C@H](C(=O)N2CCCC3=C[C@H]4C[C@@H](CN5CCCC[C@H]45)[C@@H]32)CN1Cc1ccco1 583647635 WJXXWLHUWHORMV-YBKYHCMSSA-N 423.557 3.050 0 40 HGAB biogenic Cc1csc(NC(=O)CN2C(=O)c3ccccc3N3C(=O)c4ccccc4[C@H]23)n1 604419688 SKBVAIZGGFVHNY-GOSISDBHSA-N 404.451 3.205 0 40 HGAB CC(=O)N1CCC(N2CCC(c3c(C(=O)N(C)C)sc4ncccc34)CC2)CC1 1615155779 QGRPSROPORULFU-UHFFFAOYSA-N 414.575 3.188 0 40 HGAB CCN1CCN(C(=O)C(C)(C)N)C[C@H](Cc2ccc(-c3ccccc3F)cc2)C1=O 1848354120 JQNFKAWHUSCPRT-IBGZPJMESA-N 411.521 3.079 0 40 HGAB CCO[P@@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1cc(OC)c(OC)c(OC)c1 2371667 QNJGCBSAJXWUHN-MMTVBGGISA-N 409.419 3.409 0 40 HGAB CCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(F)c(F)c2F)C1=O 2627115 CBTZGBWFTUCOLK-HXUWFJFHSA-N 405.376 3.290 0 40 HGAB Cc1ccc2c(COC(=O)c3ccc4c(=O)n5c(nc4c3)CCC5)cc(=O)oc2c1 3312204 GHUAYSWBRRYULV-UHFFFAOYSA-N 402.406 3.115 0 40 HGAB CC[C@H](C)N(C(=O)COc1ccccc1Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 3405979 LXUADJYAHISQBQ-RXVVDRJESA-N 415.555 3.470 0 40 HGAB CNS(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2ccccc2-c2ccccc2)c1 3468585 UPWNHVNPZIWJGX-UHFFFAOYSA-N 424.478 3.057 0 40 HGAB O=C(COC(=O)c1ccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)cc1)c1ccccc1 4133977 NYSTXURAOWURQL-MOPGFXCFSA-N 407.422 3.332 0 40 HGAB Cc1cc(C)c(NC(=O)[C@@H](C)OC(=O)c2ccc(N3C(=O)CCC3=O)cc2)c(C)c1 4351846 WVHMUHSGOYZEFH-MRXNPFEDSA-N 408.454 3.449 0 40 HGAB COc1ccc(OC)c(NC(=O)C2=C(C)Nc3ncnn3[C@H]2c2ccccc2OC)c1 4384718 HDBYDLUEBOAVOF-FQEVSTJZSA-N 421.457 3.232 0 40 HGAB COc1ccccc1N1C(=O)[C@H]2C3c4ccccc4C(CO)(c4ccccc43)[C@H]2C1=O 4832675 HDYVRKSBVJNQPV-FGEXJBCWSA-N 411.457 3.238 0 40 HGAB O=C(OCc1cc(=O)n2c(n1)sc1ccccc12)c1cc(=O)c2ccccc2o1 6602888 ITHIUFSRZGAOOS-UHFFFAOYSA-N 404.403 3.373 0 40 HGAB COCCN1C(=O)c2oc3cc(C)cc(C)c3c(=O)c2[C@H]1c1ccc(O)c(OC)c1 6743336 JYNZHOXEHUWEIR-HXUWFJFHSA-N 409.438 3.316 0 40 HGAB COc1ccc(CCNC(=O)Cn2nc(-c3cccs3)c3ccccc3c2=O)cc1 7023777 YLGWKKJMQZXVTD-UHFFFAOYSA-N 419.506 3.493 0 40 HGAB Cc1ccccc1CSCCNC(=O)[C@H](C)N(c1ccc(F)cc1)S(C)(=O)=O 7872052 LIVUFSRBWQIEPB-INIZCTEOSA-N 424.563 3.338 0 40 HGAB COc1ccc(Cc2nnc(SCc3cc(Cl)c4c(c3)OCCO4)n2N)cc1 8315503 NGWWOPHLZOBOKC-UHFFFAOYSA-N 418.906 3.308 0 40 HGAB O=C(CSc1nnnn1Cc1ccccc1)Nc1ccc(CN2CCCC2)cc1 9503367 GRDBWCUMSDKSEV-UHFFFAOYSA-N 408.531 3.048 0 40 HGAB CCOc1ccc(CC(=O)Nc2cccc(-c3ccc(S(C)(=O)=O)nn3)c2)cc1 9626726 PSCUYFZQLXQXNK-UHFFFAOYSA-N 411.483 3.127 0 40 HGAB CN(Cc1ccc(Cl)s1)C(=O)CSc1n[nH]c(=O)n1CCc1ccccc1 10414587 CDPGRPWWRVBKEH-UHFFFAOYSA-N 422.963 3.280 0 40 HGAB Cc1cc(-c2cc(=O)n(CC(=O)NCc3ccco3)nc2-c2ccc(C)s2)on1 12156225 FXHSBRUACXHHBH-UHFFFAOYSA-N 410.455 3.153 0 40 HGAB CC(=O)N1c2ccc(S(=O)(=O)N[C@H]3CCSc4ccccc43)cc2C[C@H]1C 12969889 PWDGKTWEYSQSPA-ACJLOTCBSA-N 402.541 3.500 0 40 HGAB CCc1ccccc1NC(=O)CN(C)C(=O)CN1CCN(c2cccc(C)c2C)CC1 13038311 GMLMKSSEIRJCOV-UHFFFAOYSA-N 422.573 3.085 0 40 HGAB COc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1NC(=O)c1ccc(Cl)cc1 13566419 MNGXWRWXSZRAQF-HNNXBMFYSA-N 424.906 3.058 0 40 HGAB CSCC[C@H](NC(=O)N1CC(=O)Nc2ccccc21)C(=O)Nc1ccccc1F 13623866 IHSCYZNIMZQSNJ-INIZCTEOSA-N 416.478 3.054 0 40 HGAB COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccccc2)cc1 13682582 OGXXFBMODBLXCL-NRFANRHFSA-N 410.495 3.224 0 40 HGAB C[C@@H](Oc1ccccc1F)C(=O)N1CCC[C@H]([C@@H]2C[C@H](C(F)F)n3ncnc3N2)C1 19078308 YHXIIMTXBUUORZ-BFJAYTPKSA-N 423.439 3.114 0 40 HGAB Cc1nc2ccccc2c(C)c1C(=O)OCC(=O)NC(=O)NCCc1cccs1 19356693 KOFHKEZJGNAWDN-UHFFFAOYSA-N 411.483 3.138 0 40 HGAB O=C1N[C@]2(CCc3ccccc31)CCN(S(=O)(=O)c1cccc(C(F)(F)F)c1)C2 19375286 LTBGWWIKYLOPFT-LJQANCHMSA-N 424.444 3.215 0 40 HGAB COc1cccc(CNC(=O)c2cc([C@@H]3CCCN(Cc4ccccn4)C3)no2)c1 19565635 ADFZAJZXSAQZON-GOSISDBHSA-N 406.486 3.388 0 40 HGAB COC(=O)C1=C(C)N(c2ccccc2)C(=O)C[C@H]1C(=O)Nc1cc(OC)ccc1OC 19819069 NOJZBJBNKYXWEK-QGZVFWFLSA-N 424.453 3.142 0 40 HGAB Cc1nc2sc([C@H](c3cccc(Cl)c3)N3CCC4(CC3)OCCO4)c(O)n2n1 23157749 BAVHPZSLOHTDQI-HNNXBMFYSA-N 420.922 3.387 0 40 HGAB CCCCn1c(N)c(N(CC)C(=O)/C=C/c2ccc(C(C)(C)C)cc2)c(=O)[nH]c1=O 24828743 UMOLOGXDANNDGC-SDNWHVSQSA-N 412.534 3.283 0 40 HGAB CC[C@H](C)C(=O)O[C@H]1CCC=C2C=C[C@H](C)[C@H](CC[C@H](O)C[C@@H](O)CC(=O)O)[C@@H]21 29571159 BOZILQFLQYBIIY-LPGBAMFFSA-N 408.535 3.470 0 40 HGAB in-vitro COC(=O)C[C@H](NC(=O)NCCc1ccc2c(c1)OCCO2)c1ccccc1Cl 29727765 SYBUTKOMIZWUQW-KRWDZBQOSA-N 418.877 3.257 0 40 HGAB Cc1c(C(=O)NCc2ccc(CN3CCC(C)CC3)cc2)sc2ncn(C)c(=O)c12 31201548 TUIGDHROBVTXBD-UHFFFAOYSA-N 424.570 3.465 0 40 HGAB Cc1nc(NC(=O)Cc2c(C)nc3ccccc3c2C)sc1SCC(N)=O 31800272 RASXIKRHSZJLDQ-UHFFFAOYSA-N 400.529 3.375 0 40 HGAB Cc1cc(Sc2nnc(CN3CCCCCC3=O)n2-c2cccnc2)nc(C)n1 32769904 ZGRQFGQTBADZBY-UHFFFAOYSA-N 409.519 3.123 0 40 HGAB CSCC[C@@H](NC(=O)C[C@@H](NC(N)=O)c1cccs1)c1nc2ccccc2[nH]1 32879161 AKQUOFOQNCSZQY-HUUCEWRRSA-N 417.560 3.335 0 40 HGAB Cc1ccc(CNC(=O)c2snc(C(=O)NCc3ccccc3Cl)c2N)o1 33171885 QMILAYAXWALYQI-UHFFFAOYSA-N 404.879 3.140 0 40 HGAB Cn1c(SCC(=O)N2CCCc3ccccc32)nnc1-c1ccc2c(c1)OCO2 35313333 APXLSOWHPRJCQX-UHFFFAOYSA-N 408.483 3.282 0 40 HGAB Cc1ccc(-c2nc(C)cc(OCC(=O)N3CCN(c4ccccc4)CC3)n2)cc1 35537571 MSQJCVWTCRJPJQ-UHFFFAOYSA-N 402.498 3.488 0 40 HGAB COc1ccc(-c2cc(C(=O)NC[C@@H](C)Cn3cccn3)c3c(C)nn(C)c3n2)cc1 36613445 NBNWFRQACYCTHA-OAHLLOKOSA-N 418.501 3.215 0 40 HGAB CC[C@H](CCNS(=O)(=O)c1ccc(NC(=O)OC)cc1)n1cc(Cl)cn1 36615073 MJEDUZKKNCUOSN-CQSZACIVSA-N 400.888 3.035 0 40 HGAB C[C@@H]1CCCC[C@]12NC(=O)N(C[C@H](O)COc1ccc(Cl)cc1Cl)C2=O 37207248 AXVIALSWJUFTQA-YNKQFZHNSA-N 401.290 3.234 0 40 HGAB Cc1cc2ncn(CC3CCN(S(=O)(=O)c4c(C)noc4C)CC3)c2cc1C 38488532 JPLPXZDWDOYTCI-UHFFFAOYSA-N 402.520 3.359 0 40 HGAB CS(=O)(=O)c1ccc([C@H](C[C@@H]2CCC(=O)C2)C(=O)Nc2cnccn2)cc1Cl 38939678 XEANIURBPHCHMG-DOMZBBRYSA-N 421.906 3.015 0 40 HGAB biogenic CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Nc1nc(C)c(C)s1 40023488 HARJYOZQMCSYBY-OAHLLOKOSA-N 413.590 3.107 0 40 HGAB O=C(Nc1cc(F)ccc1C(=O)NCc1ccc(-n2cccn2)nc1)c1ccoc1 40153387 FMRAKXWHXWWLLE-UHFFFAOYSA-N 405.389 3.182 0 40 HGAB O=C(Nc1nc(-c2ccccn2)n[nH]1)[C@@H]1CCCN(c2ncccc2C(F)(F)F)C1 40154824 IANPBEJLUPEVGR-GFCCVEGCSA-N 417.395 3.136 0 40 HGAB O=C1C[C@H](C(=O)NC2CCCCC2)c2c(nc(Nc3cccc(Cl)c3)[nH]c2=O)N1 40399429 NSFDZYRHRNFSEQ-AWEZNQCLSA-N 415.881 3.042 0 40 HGAB CC(C)[C@H](NC(=O)Cc1nn(C)c(=O)c2ccccc12)c1ccc2c(c1)OCCCO2 48375275 IUHDUNMGDMJSPW-QHCPKHFHSA-N 421.497 3.151 0 40 HGAB COc1ccc(Cl)cc1NC(=O)CN1CC(c2nc(-c3cccs3)no2)C1 49484533 CQJAZUVXJPYNSV-UHFFFAOYSA-N 404.879 3.498 0 40 HGAB O=C(C[C@@H]1Sc2ccccc2NC1=O)Nc1cccnc1N1CCSCC1 52078574 CPJDMXUMSAOMGK-INIZCTEOSA-N 400.529 3.076 0 40 HGAB Cc1ccc(S(=O)(=O)N(CCN(C)C)Cc2ccc(C)o2)c(Br)c1 55278905 CLYVBKIDHHTGJO-UHFFFAOYSA-N 415.353 3.411 0 40 HGAB COc1ccc(NC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)c3ccccc3O2)cc1 64985279 YBNJTRBDKGPYIW-OAQYLSRUSA-N 424.478 3.290 0 40 HGAB O=S(=O)(NC[C@@](O)(c1ccccc1)C(F)(F)F)c1ccccc1Br 70762883 UCVKJFJDSUCZKW-CQSZACIVSA-N 424.238 3.178 0 40 HGAB Cn1cc(-c2cc(C(=O)N3CCC([C@@H]4CC(=O)c5cc(F)ccc5O4)CC3)no2)cn1 72336693 AVQJTRCGRTUCPA-FQEVSTJZSA-N 424.432 3.100 0 40 HGAB O=C(c1nn(-c2ccccc2F)cc1O)N1CCN(c2cccc(Cl)c2)CC1 78752443 NRJVPHZUCUAIMZ-UHFFFAOYSA-N 400.841 3.333 0 40 HGAB CCn1nc(C)c(S(=O)(=O)/N=c2\[nH]cccc2O[C@H](C)c2ccccc2)c1C 83836744 MSVNMDZNOSAWSI-MRXNPFEDSA-N 400.504 3.278 0 40 HGAB Cc1cc(=O)[nH]c([C@@H](C)Sc2nnc3n(CCC(C)C)c(=O)c4ccccc4n23)n1 84114343 SDZKHIYNCDZOTJ-CQSZACIVSA-N 424.530 3.335 0 40 HGAB CN1CCN(C(=O)c2c3c(nc4ccccc24)CCN(Cc2ccccc2)C3)CC1 91297421 YUBUBFDDDIAKEB-UHFFFAOYSA-N 400.526 3.181 0 40 HGAB CCOC(=O)Nc1ccc2c(CN3CC(=O)Nc4c(F)cccc43)cc(=O)oc2c1 96012819 TXAFQMWANWZNKR-UHFFFAOYSA-N 411.389 3.459 0 40 HGAB O=C(NCc1cccnc1)[C@H]1CCCN(c2cc(-n3ccc4ccccc43)ncn2)C1 96124054 BHQUEEBMNLPTOZ-FQEVSTJZSA-N 412.497 3.348 0 40 HGAB CN1CCN(C(=O)C[C@@H]2CC3(CCN(C(=O)C4CCCC4)CC3)c3ccccc32)CC1 96242273 GTYRKPOKFJSKFM-OAQYLSRUSA-N 423.601 3.388 0 40 HGAB COc1ccc(CN2CCC(c3ccnc4c(C(=O)N5CCCC5)ncn34)CC2)cc1 96267255 VHXOXRSHKHVCIO-UHFFFAOYSA-N 419.529 3.354 0 40 HGAB CCOc1ccc(CC(=O)N2CCC(S(=O)(=O)c3ccc(OC)cc3)CC2)cc1 96376171 LFMUVJSHOBSJQZ-UHFFFAOYSA-N 417.527 3.101 0 40 HGAB CC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H]5ON=C(c6ccc(C)cc6)[C@H]45)[C@H]3C2=O)cc1 100204648 LIHHUAIRASNQRP-CCFUMPMWSA-N 414.461 3.372 0 40 HGAB CC[C@@H](C(=O)NCCCc1cccc(OC)c1)N(c1ccc(C)cc1)S(C)(=O)=O 219097245 DHTJMKFKUMNOMK-NRFANRHFSA-N 418.559 3.297 0 40 HGAB COc1ccc(N([C@H](C)C(=O)Nc2cccc(Cl)c2)S(C)(=O)=O)cc1OC 220226093 IFCMBXYZJPJUPQ-GFCCVEGCSA-N 412.895 3.150 0 40 HGAB CC[C@H](C(=O)N[C@H](C)COc1ccccc1C)N(c1cccc(C)c1)S(C)(=O)=O 220524723 FXGVWDIJVKKYFP-UYAOXDASSA-N 418.559 3.432 0 40 HGAB COC(=O)c1cc(NC(=O)c2ccc(C)c(N(C)S(C)(=O)=O)c2)ccc1Cl 222455738 UGBKNYGSRSTDEB-UHFFFAOYSA-N 410.879 3.083 0 40 HGAB CCCc1ccc(OCCNC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)cc1 223636087 SZBDOMVANVHBCQ-UHFFFAOYSA-N 424.950 3.254 0 40 HGAB COc1ccc(OCC(=O)N(Cc2cccc(OC)c2)[C@@H](C)C(=O)NC(C)C)cc1 225650989 YFMUHLJTNJFWHN-KRWDZBQOSA-N 414.502 3.025 0 40 HGAB S=C(NC[C@H]1CCCO1)Nc1nc(N2CCCC2)cc(N2Cc3ccccc3C2)n1 225906968 WHUSZEDLMXSZKH-GOSISDBHSA-N 424.574 3.062 0 40 HGAB COc1ccc([C@H](CC(=O)N[C@@H](C)c2ccc(Cl)cc2)NS(C)(=O)=O)cc1 225954201 NRHGYKFWSBQGAZ-UGSOOPFHSA-N 410.923 3.206 0 40 HGAB Cc1nccc(C(=O)N(C)[C@@H]2CC[C@@]3(C)C[C@H](c4ccccc4)C[C@](C)(O3)[C@H]2O)n1 257292850 QNEQZTFQXPTHMP-OQCQCTNUSA-N 409.530 3.492 0 40 HGAB CCOc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)CC)Cc2ccccc2)cc1 408621694 NUCLHWRCEFDIEH-QGZVFWFLSA-N 404.532 3.191 0 40 HGAB Cc1ccc(C)n1NC(=O)c1cccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)c1 408683255 KXIMOPNXNKABQN-LEZSPFLNSA-N 401.466 3.046 0 40 HGAB O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1ccc2c(c1)CCCO2)c1cccnc1 506006365 CRIDNJRNLQBAOY-NRFANRHFSA-N 401.466 3.386 0 40 HGAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)C1CN(c2cc(-n3ccnc3)ncn2)C1 575610658 WYLQNSLPVGKALB-UHFFFAOYSA-N 422.798 3.409 0 40 HGAB O=C(CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]12)Nc1ccc(Cl)cn1 604419617 PBCXJNWGKXTFGV-FQEVSTJZSA-N 418.840 3.489 0 40 HGAB COc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)N3CCCC3)cc2c1 892908 XWXJQOHCVPXFRR-HXUWFJFHSA-N 408.506 3.214 0 40 HGAB Cc1c(NC(=O)NC(C)(C(F)(F)F)C(F)(F)F)c(=O)n(-c2ccccc2)n1C 2217015 HZEVXFAZUAVAPT-UHFFFAOYSA-N 410.318 3.489 0 40 HGAB biogenic COCCn1c(C)cc(C(=O)CSc2nnnn2-c2cc(C)ccc2OC)c1C 2642464 VSEWWKHVCOOGIZ-UHFFFAOYSA-N 415.519 3.019 0 40 HGAB CCSc1nnc(C(F)F)n1NC(=O)CCn1nc(C)c(Br)c1C 2792099 XTRZOHHNTRZLGR-UHFFFAOYSA-N 423.287 3.064 0 40 HGAB Cc1cc2ccccn2c1C(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1 3203414 OPPYMRDZZJWNSV-IRXDYDNUSA-N 412.511 3.277 0 40 HGAB Cc1c(NC(=O)[C@@H](C)OC(=O)/C=C/c2ccccc2)c(=O)n(-c2ccccc2)n1C 3261839 MGUJAMWZKRKTGF-IAOULYHDSA-N 405.454 3.068 0 40 HGAB CCOc1ccc(C(=O)OCC(=O)Nc2ccc(OC)c(OC)c2)cc1OCC 3441861 WEUJKJPZYLRLIR-UHFFFAOYSA-N 403.431 3.297 0 40 HGAB Cc1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1 3610203 OPCMIJOGNNTXAM-INIZCTEOSA-N 402.516 3.433 0 40 HGAB C[C@H](Oc1ccc2c3c(c(=O)oc2c1)CCC3)C(=O)NCC1CCC(C(=O)O)CC1 4023171 CIPDGAJKNINTBP-NFOMZHRRSA-N 413.470 3.056 0 40 HGAB biogenic CCOC(=O)c1csc(N2N=C(c3ccccc3OC)C[C@]2(O)C(F)(F)F)n1 4478273 NLVBNOBRXKSYNG-INIZCTEOSA-N 415.393 3.194 0 40 HGAB CCOC(=O)Cc1cs/c(=N\c2ccc(Cl)cc2)n1CCCN1CCOCC1 4614643 LMSFYPCEZDHGKC-XDOYNYLZSA-N 423.966 3.263 0 40 HGAB CCn1c(SCc2nc3ccccc3c(=O)[nH]2)nnc1-c1ccc2c(c1)OCO2 4736403 RXJIZFAGLCUXRX-UHFFFAOYSA-N 407.455 3.223 0 40 HGAB C[C@@H](Sc1nncn1-c1ccccc1)C(=O)Nc1ccc(N2CCOCC2)cc1 4835205 GPFPVSGOUQLNRT-MRXNPFEDSA-N 409.515 3.223 0 40 HGAB Cc1nc(NCCNS(=O)(=O)c2ccccc2)c2c3c(sc2n1)CCCC3 4848571 ZPBWDGZSWCZBPD-UHFFFAOYSA-N 402.545 3.269 0 40 HGAB O=C(NCc1ccco1)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 6786659 UYHHFWRSIDBFHA-UHFFFAOYSA-N 416.421 3.016 0 40 HGAB Cc1ccc([C@@]2(C)NC(=O)N(C[C@@H](O)COc3cccc4ccccc34)C2=O)cc1 7201123 ARMMEFOMPPSBKE-NTKDMRAZSA-N 404.466 3.355 0 40 HGAB CCOC(=O)c1oc2ccccc2c1COC(=O)[C@H]1CS[C@]2(C)CCC(=O)N12 7433724 ZDTNDMCEEBQJPS-JLTOFOAXSA-N 403.456 3.107 0 40 HGAB CCOc1cc(CNn2nnnc2N)cc(Cl)c1OCc1ccc(Cl)cc1 7602486 TVLOEZRUIJXGHZ-UHFFFAOYSA-N 409.277 3.284 0 40 HGAB Cc1cc(C)n(-c2ccc(C(=O)OCC(=O)Nc3ccc4c(c3)OCCO4)cc2)n1 7654474 ZQVMTAREYPWPLR-UHFFFAOYSA-N 407.426 3.056 0 40 HGAB Cc1ccc(N2C[C@@H](C(=O)OCC(=O)N[C@@H](C)c3ccccc3)CC2=O)cc1Cl 7940057 LOAUWRQCTQLGGH-RDJZCZTQSA-N 414.889 3.422 0 40 HGAB COc1ccc(S(=O)(=O)[C@@H](CNC(=O)c2cccs2)c2cccnc2)cc1 8026832 JALMCEDMHPDGRD-SFHVURJKSA-N 402.497 3.097 0 40 HGAB O=C(c1cc2c(s1)CCC2)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 8095766 XJMSAGCNFJDTQV-UHFFFAOYSA-N 410.948 3.037 0 40 HGAB COc1ccc(N(CC(=O)Nc2cc(Cl)ccc2Cl)S(C)(=O)=O)cc1 8117454 JAJMFVXLVNMNDO-UHFFFAOYSA-N 403.287 3.407 0 40 HGAB Cc1ccc(-n2nnnc2-c2cnc(N3CCOCC3)nc2-c2ccccc2F)cc1 8702062 SHKVPFZLBIPKSY-UHFFFAOYSA-N 417.448 3.070 0 40 HGAB Cc1ccc(OCC(=O)N(C)C[C@H]2COc3ccccc3O2)c(Br)c1 8708422 JQJBVZHPTLDRAM-AWEZNQCLSA-N 406.276 3.435 0 40 HGAB C[C@H]1C[C@@H]1c1ccc(CN(C)C(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)o1 8750061 RSZGKKCQWAGIHC-KXBFYZLASA-N 402.516 3.460 0 40 HGAB O=C(Nc1nc(-c2ccc3c(c2)OCCO3)cs1)c1ccc(-n2cncn2)cc1 9375862 DQDYPDCQUQMRGB-UHFFFAOYSA-N 405.439 3.414 0 40 HGAB CC[C@@H](C)n1c(C)c(C)n2c3c(=O)n(Cc4cccc(Cl)c4)c(=O)n(C)c3nc12 10104250 CJFRWXZBBDDVPL-GFCCVEGCSA-N 413.909 3.439 0 40 HGAB COc1ccc(Cl)cc1CN(C)C(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O 10279471 QWQDQBAHAHKIID-UHFFFAOYSA-N 422.934 3.333 0 40 HGAB O=C(NC1CCN(C(=O)CCc2nc(-c3ccsc3)no2)CC1)c1ccccc1 10782781 UVZVDUHYCRGNDF-UHFFFAOYSA-N 410.499 3.152 0 40 HGAB O=C(Cn1c2c(c(=O)n(C3CCCCC3)c1=O)CCC2)Nc1ccc2ncccc2c1 11695874 GMVOUSVRNDPZOM-UHFFFAOYSA-N 418.497 3.191 0 40 HGAB CC[C@@H]1Oc2ccc(C(=O)c3ccco3)cc2N(CC(=O)NCc2cccs2)C1=O 12241979 SHXCLXARAWHQNW-KRWDZBQOSA-N 424.478 3.393 0 40 HGAB COc1cccc2[nH]c(C(=O)N3CCC([C@H](NC(C)=O)c4nccs4)CC3)cc12 12365769 GNNLGDSHDBGEGY-IBGZPJMESA-N 412.515 3.363 0 40 HGAB O=C(CCCn1nc(-c2ccccc2)ccc1=O)N1CCN(c2ccccc2F)CC1 12440841 TVHSMHLINKEQPU-UHFFFAOYSA-N 420.488 3.178 0 40 HGAB CCOc1cc(C(=O)Nn2cnc3ccccc3c2=O)ccc1OCc1ccncc1 12552633 XPPUYSFRQCKVPI-UHFFFAOYSA-N 416.437 3.153 0 40 HGAB C[C@@H](Sc1nc2cc(Cl)cnc2[nH]1)C(=O)Nc1sc2c(c1C(N)=O)CCC2 12579394 CQIDUPGDVGLQBS-SSDOTTSWSA-N 421.935 3.380 0 40 HGAB CCOc1ccc(NCC(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)cc1 12735216 LMBWURXVBZQCSN-UHFFFAOYSA-N 417.531 3.311 0 40 HGAB COc1ccc(N2C(=O)C(=O)N(Cc3cc(Cl)c4c(c3)OCCCO4)C2=O)cc1 12736672 PLJUQAPWZRCGKV-UHFFFAOYSA-N 416.817 3.005 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccc(OC(F)F)cc2)cc1 12758400 ISYJYQROQKRZNN-KRWDZBQOSA-N 410.442 3.388 0 40 HGAB C[C@@H]1CCc2nc(NC(=O)c3cccc(S(=O)(=O)N4CCCC4)c3)sc2C1 12852808 MRYTYZXMTSWOOJ-CYBMUJFWSA-N 405.545 3.305 0 40 HGAB CSc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3c(C)noc3C)C2)cc1 12873944 YTEIWLDLDFLPDZ-AWEZNQCLSA-N 409.533 3.053 0 40 HGAB CC(=O)CCc1ccc(OS(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(C)=O)cc1 12968800 ZKVCNGDZJYVQEF-AWEZNQCLSA-N 401.484 3.273 0 40 HGAB COc1ccc(C(=O)NCCc2ccccc2)cc1S(=O)(=O)N1CCCCCC1 13096170 DMHBJDFIWJEKKK-UHFFFAOYSA-N 416.543 3.232 0 40 HGAB CCOc1ccc(CNC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)cc1 13676472 QBCQCDZIGNOZFY-UHFFFAOYSA-N 416.543 3.498 0 40 HGAB COc1ccccc1-c1noc(CN2C(=O)N[C@@]3(CCCc4ccccc43)C2=O)n1 14128936 WNJBYBKZKMJXRM-JOCHJYFZSA-N 404.426 3.029 0 40 HGAB O=C(c1cc2ccccc2o1)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 15933247 AEDIRDHQUBLQSA-UHFFFAOYSA-N 404.875 3.233 0 40 HGAB COc1cc([C@H]2CC(=O)Nc3nc(C)[nH]c(=O)c32)ccc1OCc1ccc(C)cc1 17043282 HXAXOIBEXFQAJM-QGZVFWFLSA-N 405.454 3.448 0 40 HGAB CS(=O)(=O)NCCc1ccc(C(=O)OCc2ccc(C(F)(F)F)cc2)cc1 17261993 RXINYGUFBVTRNV-UHFFFAOYSA-N 401.406 3.154 0 40 HGAB Cn1cc(CCC(=O)N2CCO[C@H](c3nc(-c4cccnc4)no3)C2)c2ccccc21 19290421 JSWSCHXAGJUYLN-FQEVSTJZSA-N 417.469 3.156 0 40 HGAB C[C@H](NC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(Cl)cc1 20018998 KMWOXDFCPNCWNH-HNNXBMFYSA-N 422.934 3.381 0 40 HGAB CC(C)NC(=O)[C@@H](C)[C@H]1CC[C@@]2(C)CC[C@H](NC(=O)c3ccccn3)[C@@H](C)[C@@H]2[C@H]1O 20467181 WYRZWRYAGNWBII-IHFZFUTHSA-N 415.578 3.164 0 40 HGAB biogenic,in-vitro CCCN(CC(=O)NCCc1ccc(F)cc1)S(=O)(=O)/C=C/c1ccccc1 21325848 XXZQHKXJBISZRO-DTQAZKPQSA-N 404.507 3.197 0 40 HGAB COc1ccccc1CCCNC(=O)CN(c1cc(Cl)ccc1C)S(C)(=O)=O 22336878 PNXOJYXTEBSDLV-UHFFFAOYSA-N 424.950 3.172 0 40 HGAB CCOc1ccccc1-n1ccn(CC(=O)Nc2ccc(C(C)C)cc2)c(=O)c1=O 22725070 XFIKTZSHXKZBMK-UHFFFAOYSA-N 407.470 3.160 0 40 HGAB CCS(=O)(=O)c1ncc(Br)c(C(=O)Nc2cc(Cl)ccc2C)n1 27748598 MSSVZTHEJDBJAQ-UHFFFAOYSA-N 418.700 3.247 0 40 HGAB CC1=NS(=O)(=O)NC(C)=C1CCC(=O)N(C)Cc1cccc(Cl)c1Cl 30019347 CLPFNCLLONOICY-UHFFFAOYSA-N 404.319 3.315 0 40 HGAB COc1cc(OC)c(OC)cc1/C=C/C(=O)Nc1ccc(N2CCN(C)CC2)cc1 32675927 FSSGAWAEHITPTF-BJMVGYQFSA-N 411.502 3.116 0 40 HGAB COc1cc(C(=O)N2CCN(C(=O)Nc3ccccc3)CC2)ccc1OC(F)F 32841771 IGIZVAIRMWSOTM-UHFFFAOYSA-N 405.401 3.287 0 40 HGAB COc1cc(OC)c(C2=CCN(Cc3cc(=O)n4ccc(C)cc4n3)CC2)c(OC)c1 32860123 LWUGEYDPGOWRLM-UHFFFAOYSA-N 421.497 3.318 0 40 HGAB NC(=O)COc1c(Br)cc(CNC2CCCCC2)cc1Br 36612926 NWYAWCLWZQEWMR-UHFFFAOYSA-N 420.145 3.498 0 40 HGAB CCCn1ncc2c(C(=O)N3CCN(Cc4ccccn4)CC3)cc(C3CC3)nc21 36615842 VDURWCPIOQEPPI-UHFFFAOYSA-N 404.518 3.072 0 40 HGAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)O2 38835578 MZAZNRRGOPJOQD-INIZCTEOSA-N 415.298 3.468 0 40 HGAB CC[C@H](NC(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC)c1ccc(C)cc1 44899982 MVJFKZDIHQXPLA-SFHVURJKSA-N 418.515 3.147 0 40 HGAB O=C(Cn1cnc2nc(N3CCCCC3)sc2c1=O)Nc1ccc(Cl)cc1 45970143 PIXRCWDTAQBAGL-UHFFFAOYSA-N 403.895 3.135 0 40 HGAB O=c1[nH]c(N2CCCCCC2)nc2c1CN(Cc1cn[nH]c1-c1cccs1)CC2 57731416 SZHULIZZBUDHTR-UHFFFAOYSA-N 410.547 3.160 0 40 HGAB CN(C[C@H](O)COCc1ccc2c(c1)OCO2)c1ncc(C(F)(F)F)cc1Cl 57994824 ZNLOAXGOJSEOFU-ZDUSSCGKSA-N 418.799 3.496 0 40 HGAB O=C1CCc2cc(OCC(=O)Nc3c4c(nn3-c3ccccc3)CCC4)ccc2N1 58006715 LAEOWOWNCCQFHG-UHFFFAOYSA-N 402.454 3.263 0 40 HGAB CCn1c(CN(C)Cc2ccccc2C)nc2cc(S(=O)(=O)N(C)C)ccc21 58158058 SREDCBWWZKFDLD-UHFFFAOYSA-N 400.548 3.247 0 40 HGAB O=C(CCc1nc(-c2cccnc2)no1)Nc1cccc(-c2nc(C3CC3)n[nH]2)c1 58222926 HMPVCFPKHOYETN-UHFFFAOYSA-N 401.430 3.365 0 40 HGAB CCCCOCCCNC(=O)Nc1c(C(=O)N2CCOCC2)oc2ccccc12 58356266 SVGFUNVRSPTKCH-UHFFFAOYSA-N 403.479 3.234 0 40 HGAB O=C(Cn1nc2c(cc1=O)CCCC2)NCCC(c1ccccc1)c1ccccc1 61720187 AWYLIJCCULMHDL-UHFFFAOYSA-N 401.510 3.461 0 40 HGAB O=C(Cn1ncn2nc(-c3cccc4ccccc34)cc2c1=O)Nc1cccc(F)c1 67208577 VCPWGWXIWLMRTC-UHFFFAOYSA-N 413.412 3.489 0 40 HGAB Cc1ccc(NC(=O)CN2C(=O)N[C@H](c3cc(C)ccc3C)C3=C2COC3=O)cc1 67288605 FXPWKTJQTMQKQP-OAQYLSRUSA-N 405.454 3.128 0 40 HGAB CCOc1ccc(CNC(=O)c2cn(-c3ncccc3-c3nc(CC)no3)cn2)cc1 71768558 UORPQYYKHKCQOC-UHFFFAOYSA-N 418.457 3.208 0 40 HGAB COc1ccc(CC(=O)N2CCC[C@@H](c3cc(C(F)F)n4ncnc4n3)C2)cc1C 72395388 PIHSXZGDOIUSPT-OAHLLOKOSA-N 415.444 3.328 0 40 HGAB CCC(CC)(CNC(=O)[C@H]1CCCN1C(=O)c1ccco1)NC(=O)OC(C)(C)C 78950803 AMAPTEMVDHHKNM-OAHLLOKOSA-N 407.511 3.084 0 40 HGAB COc1ccc(NC(=O)[C@H]2Oc3cc(C)oc(=O)c3[C@@H]2c2ccc3c(c2)OCO3)cc1 96336035 IPWCWSMWHNEKSN-FPOVZHCZSA-N 421.405 3.217 0 40 HGAB CCS(=O)(=O)[C@](Cl)(Br)C(=O)c1ccc(Br)cc1 96518184 RQWPJAIGJXQNCB-JTQLQIEISA-N 404.507 3.354 0 40 HGAB CC(=O)C1C(=O)[C@@H]2[C@H](C1=O)[C@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 100709129 XNWBXIRIABZIIO-ICOQWIASSA-N 410.895 3.421 0 40 HGAB O=c1c([C@H]2NCCc3c2[nH]c2ccccc32)c(O)[nH]c(=S)n1-c1ccccc1F 100755812 GDKSMCSVPZODQG-GOSISDBHSA-N 408.458 3.456 0 40 HGAB biogenic C[C@@H](NC(=O)c1cc2ccc(F)cc2[nH]1)c1cc(O)n2nc(C3CCOCC3)cc2n1 100769405 HCILIJMHKNZHMC-GFCCVEGCSA-N 423.448 3.440 0 40 HGAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccccc3C(N)=O)cc2)cc1 113936122 VQQRELLLXKMBCZ-UHFFFAOYSA-N 409.467 3.147 0 40 HGAB CCc1ccc(N(CCCC(=O)Nc2ccc(OC)c(OC)c2)S(C)(=O)=O)cc1 113962450 JTBUPWRESGXYPU-UHFFFAOYSA-N 420.531 3.451 0 40 HGAB c1ccc([Sn](c2ccccc2)(c2ccccc2)n2cccc2)cc1 195774382 UTQMIXVRHBOAHI-UHFFFAOYSA-N 416.112 3.003 0 40 HGAB O=C(CCc1ccc(C(F)(F)F)cc1)N1CC[C@H](S(=O)(=O)Cc2ccco2)C1 206692196 OBRQJJFCSLXURF-KRWDZBQOSA-N 415.433 3.447 0 40 HGAB COC(=O)[C@@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)c1cc(Cl)ccc1OC 206797336 RGDKIUWWSOXZGY-CJNGLKHVSA-N 407.825 3.323 0 40 HGAB CCOc1cccc(NC(=O)CN(c2cccc(OC(C)C)c2)S(C)(=O)=O)c1 220110695 GDRYASJEZRYNRO-UHFFFAOYSA-N 406.504 3.277 0 40 HGAB CS(=O)(=O)N(CCCC(=O)NCCSCc1ccco1)c1ccccc1F 222654120 KGNBICIFXXBYDO-UHFFFAOYSA-N 414.524 3.015 0 40 HGAB O=C(Nc1nnc(S(=O)(=O)Nc2ccc(F)cc2)s1)c1ccccc1Cl 223331474 NPZUYULEPJAQME-UHFFFAOYSA-N 412.855 3.384 0 40 HGAB COC(=O)c1ccc(C)c(S(=O)(=O)NCCOc2ccc(C(C)(C)C)cc2)c1 223659576 IWMXPODBJIZLLL-UHFFFAOYSA-N 405.516 3.436 0 40 HGAB COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(C)n1-c1cccnc1 223683380 MGZZYJQCHDQEDD-LEWJYISDSA-N 421.526 3.111 0 40 HGAB COc1cc2c(cc1S(=O)(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1)CCCC2 223893478 UFUBYBAEKDSIJW-CQSZACIVSA-N 423.556 3.017 0 40 HGAB Cc1ccc(OC[C@H](C)NC(=O)c2cccc(N3CCCCS3(=O)=O)c2)cc1C 224394713 BAHSAWMVEPHRGM-SFHVURJKSA-N 416.543 3.431 0 40 HGAB COc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)N3CCC[C@@H](C)C3)cc2)cc1 224440893 SKWXWYIYFSYXJH-QGZVFWFLSA-N 416.543 3.388 0 40 HGAB CC1(C)Cc2cccc(OCC(=O)NC[C@](O)(c3ccsc3)c3ccco3)c2O1 244975160 IEIGHBNVIFOJOD-QFIPXVFZSA-N 413.495 3.486 0 40 HGAB CS(=O)(=O)N(c1ccc(F)cc1)[C@H](Cc1ccc(Br)cc1)C(=O)O 260679437 NDNHNHDMJIQKOO-OAHLLOKOSA-N 416.268 3.050 0 40 HGAB O=C1CCCN1c1ncc2c(n1)[C@]1(CCN(Cc3cccc4ccccc34)C1)COC2 306139337 SUWFXDMRYQBIPM-VWLOTQADSA-N 414.509 3.431 0 40 HGAB CCOC(=O)Nc1cc(S(=O)(=O)N2CCc3ccccc3C2)ccc1OCC 408585374 FUDRFHDAFRQYPV-UHFFFAOYSA-N 404.488 3.401 0 40 HGAB Cc1cccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C2)c1 408644091 CXWMSQGNCXPTSH-HNNXBMFYSA-N 400.862 3.492 0 40 HGAB O=C(COC(=O)c1cccc(N2C(=O)C=CC2=O)c1)Nc1ccc(Cl)cc1Cl 409227715 VNOVXKNOQIPITQ-UHFFFAOYSA-N 419.220 3.218 0 40 HGAB CC1(C)[C@@H]2C[C@@H]1CC=C2COC[C@@H](O)CN[C@H](CO)c1ccc(Br)cc1 542911230 YKKDKPDLCCHKMH-IJXRJRJASA-N 424.379 3.442 0 40 HGAB COCCN1c2cccnc2-n2cccc2[C@]12CCN(C(=O)c1ccc(C)c(O)c1)C2 585107454 WGRVWWDSGZPNAX-XMMPIXPASA-N 418.497 3.094 0 40 HGAB COc1ccc2c(c1)OC(C)(C)[C@H]1C[C@@H]3CN(C(=O)[C@H](N)C(C)C)CC[C@@H]3O[C@H]21 585261629 GTMTVRUSDCHBBM-AYBQMASMSA-N 402.535 3.144 0 40 HGAB NC(=O)C[C@@]1(COc2ccc(Cl)cc2)CN(C(=O)CCC2CCCC2)CCO1 585286633 PRAKNQGRFZGXSN-NRFANRHFSA-N 408.926 3.162 0 40 HGAB CC(C)Cc1nnc(NC(=O)CC2(N3Cc4ccccc4C3=O)CCOCC2)s1 1548348285 KFGSILSZDKCENX-UHFFFAOYSA-N 414.531 3.270 0 40 HGAB COCCN1C(=O)Cc2c(C)nc([C@]3(C)CCCN3Cc3cccc4[nH]ccc34)nc21 1848353179 LHXUKBSDFLBGKU-DEOSSOPVSA-N 419.529 3.313 0 40 HGAB COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)N3CCC(C)CC3)cc2c1 892807 GCEKWTCOCJINQG-NRFANRHFSA-N 422.533 3.460 0 40 HGAB COc1ccccc1NC(=O)Cn1c(CN2CCCCC2)nc2ccccc2c1=O 920445 WZUWBVRKNROCSV-UHFFFAOYSA-N 406.486 3.030 0 40 HGAB CCOc1ccc(OCCNC(=O)[C@@H](NC(=O)c2c(F)cccc2F)C(C)C)cc1 7814849 AOODWGAXKJKODZ-FQEVSTJZSA-N 420.456 3.313 0 40 HGAB Cc1c2c(cc3c(-c4ccccc4)cc(=O)oc13)CN(CCN1CCOCC1)CO2 20648330 NFKKUMZOYICFSU-UHFFFAOYSA-N 406.482 3.253 0 40 HGAB biogenic O=C(CSc1nnc2c(Cl)cc(Cl)cn12)NCc1ccc2c(c1)OCO2 3413118 YNYNPVCRQASKOL-UHFFFAOYSA-N 411.270 3.173 0 40 HGAB CC[C@@H](OC(=O)C[C@H]1Sc2ccccc2NC1=O)C(=O)NCCc1ccccc1 4967093 ABUCKDJISNOVCX-IEBWSBKVSA-N 412.511 3.170 0 40 HGAB COc1cc(OC)c(C(=O)Nc2ccc(Oc3cccc(C(N)=O)c3)nc2)cc1OC 60365239 DMOKCKXDLJLOHF-UHFFFAOYSA-N 423.425 3.251 0 40 HGAB CCCCNC(=O)c1ccccc1NC(=O)c1ccc(NS(C)(=O)=O)c(C)c1 10314918 GWBIGDXVEMOPOU-UHFFFAOYSA-N 403.504 3.149 0 40 HGAB O=C(NCCC(=O)N1CCN(Cc2csc3ccccc23)CC1)c1ccsc1 32757236 OFDRBIRKIZFKBN-UHFFFAOYSA-N 413.568 3.427 0 40 HGAB CCc1sc(C(=O)NCC(=O)NCc2c(C)nn(-c3ccccc3)c2C)cc1C 32753149 MSZKCMCXHQUHRF-UHFFFAOYSA-N 410.543 3.468 0 40 HGAB Cc1nn(Cc2ccccc2)c(Cl)c1/C=C/C(=O)O[C@@H](C)C(=O)N1CCCC1 2621847 RVFWPJKVAIYSRI-OFAQMXQXSA-N 401.894 3.461 0 40 HGAB COc1ccc([C@@H](CNC(=O)CCc2nc(-c3ccsc3)no2)N(C)C)cc1 21635672 LBOCPYXRPQHJNK-QGZVFWFLSA-N 400.504 3.158 0 40 HGAB CCN([C@H](C)c1cccc(OC)c1)S(=O)(=O)c1ccc(OC)c(NC(C)=O)c1 32927447 XITLURPKNHSBTF-CQSZACIVSA-N 406.504 3.434 0 40 HGAB COc1ccccc1[C@H]1C=C(C(=O)O)Nc2c(C(=O)Nc3ccccc3C)cnn21 102820862 IQRPARCHXUJWPS-GOSISDBHSA-N 404.426 3.436 0 40 HGAB COc1ccccc1N1C(=O)[C@H]2ON(c3ccccc3)[C@H](c3ccc(O)cc3)[C@@H]2C1=O 100969863 CAUKAGFZMJWBNQ-BDTNDASRSA-N 416.433 3.452 0 40 HGAB CCn1c(SCC(=O)Nc2ccc3c(c2)OC(F)(F)O3)nc2ccccc2c1=O 23585719 LHZBNIPYRMHUKY-UHFFFAOYSA-N 419.409 3.469 0 40 HGAB O=C(Nc1cccc2cccnc12)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 8190485 VJVUUGKTUYBAJI-HNNXBMFYSA-N 401.513 3.336 0 40 HGAB Cc1ccc(S(=O)(=O)CCC(=O)N[C@@H](c2ccc3c(c2)OCCO3)C(C)C)cc1 8124478 KPHFRWWJXMKZDB-JOCHJYFZSA-N 417.527 3.444 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(F)c(F)c3F)C2)cc1 20016555 CWOKWXIRESFMLU-ZDUSSCGKSA-N 412.433 3.452 0 40 HGAB Cc1cc2n(C[C@@H](O)COc3ccc(Oc4ccccc4)cc3)c(C)cc(=O)n2n1 24757124 BQSFZXRIOHVSIK-GOSISDBHSA-N 405.454 3.345 0 40 HGAB Cc1cc(N2CCN([C@H](C)C(=O)Nc3ccc(Cl)cn3)CC2)nc(C(C)C)n1 24980375 WBQVMJHLIHYWPO-OAHLLOKOSA-N 402.930 3.106 0 40 HGAB CCOC(=O)c1cccc(OC[C@H](O)CN(C)Cc2nc3ccccc3s2)c1 25233640 VMIKLJFXRFKUNR-MRXNPFEDSA-N 400.500 3.345 0 40 HGAB COc1ccc(NC(=O)Cn2c(=O)n(CC(C)C)c(=O)c3sccc32)cc1Cl 57486049 ROISDUUSZJFJRO-UHFFFAOYSA-N 421.906 3.181 0 40 HGAB Cc1c(O[C@H](C)C(=O)N[C@H](C(=O)O)c2ccccc2)ccc2c3c(c(=O)oc12)CCC3 2097943 HBHXXYDBAVCIIQ-VLIAUNLRSA-N 421.449 3.300 0 40 HGAB biogenic O=C(Nc1c2c(nn1-c1ccccc1)CCC2)c1ccc2c(c1)C(=O)N(C1CC1)C2=O 58004804 JEMATSMTESCREG-UHFFFAOYSA-N 412.449 3.372 0 40 HGAB COc1ccc2c(c1)CCCN2C(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 10542407 IEJVYNZXUZZLQD-UHFFFAOYSA-N 414.527 3.075 0 40 HGAB O[C@H](COc1ccc(Oc2ccccc2)cc1)CN1CCN(c2nccs2)CC1 12787697 QVPACWIKQHIEJF-SFHVURJKSA-N 411.527 3.497 0 40 HGAB COc1cc(/C=C/C(=O)N2CCC[C@H](c3nnc4n3CCCCC4)C2)cc(OC)c1 36397901 SETPBMYGAMGCKR-BBVFFXRHSA-N 410.518 3.441 0 40 HGAB O=S(=O)(NCc1nnc2c3ccccc3c(-c3ccccc3)nn12)c1ccccc1 2338089 OZKUMAPARRRXDW-UHFFFAOYSA-N 415.478 3.423 0 40 HGAB CCOc1ccc(CN(C)C(=O)c2ccc3c(=O)n4c(nc3c2)CCC4)cc1OC 12902262 DNPZCPFVSFPNPQ-UHFFFAOYSA-N 407.470 3.022 0 40 HGAB C[C@]1(c2cc3ccccc3o2)NC(=O)N(CC(=O)N2CC[C@@H]3CCCC[C@@H]3C2)C1=O 8328692 XSOTUYNKPZRQEI-XSSDXNQZSA-N 409.486 3.239 0 40 HGAB COc1ccccc1-c1nnc(SCC(=O)NCCc2ccc(F)cc2)n1C 5130575 LTYYFGNOTCFINA-UHFFFAOYSA-N 400.479 3.081 0 40 HGAB C[C@@H](NC(=O)COC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCC3)c1ccccc1 4524631 ZHHGWQYKVCINTF-MRXNPFEDSA-N 419.481 3.157 0 40 HGAB Cc1nn(CC(C)C)c2sc(C(=O)NN3C(=O)NC4(CCC(C)CC4)C3=O)cc12 14200057 AMWPAPKNMORRRZ-UHFFFAOYSA-N 417.535 3.208 0 40 HGAB COc1cccc(-c2ccc(=O)n(CC(=O)Nc3ccc(Br)cc3)n2)c1 5400126 MROCUVCUIGJOOM-UHFFFAOYSA-N 414.259 3.320 0 40 HGAB COc1cc2c(cc1OC)[C@H](C)N(Cc1nc(N)nc(Nc3ccccc3)n1)CC2 5450998 GWTXAGLABABMNE-AWEZNQCLSA-N 406.490 3.334 0 40 HGAB C[C@@H](Oc1cc2oc(=O)c3c(c2cc1Cl)CCC3)C(=O)NCCCn1ccnc1 6660028 TZWDQBJQUINVNF-CYBMUJFWSA-N 415.877 3.105 0 40 HGAB O=C1S/C(=C\c2cccc(Cl)c2)C(=O)N1CC(=O)N1CCCC[C@@H]1CCO 6660498 BCAHHIADUAEYGO-DFSFMLJYSA-N 408.907 3.140 0 40 HGAB CCOC(=O)c1ccc(-c2ccc(-c3nc4cc(S(N)(=O)=O)ccc4[nH]3)o2)cc1 6907905 PBQUXNTWAAPABP-UHFFFAOYSA-N 411.439 3.314 0 40 HGAB O=c1[nH]c(CSc2nnnn2-c2cccc(Cl)c2)nc2cc(Cl)ccc12 6998736 PWGNYUDMHHVDPJ-UHFFFAOYSA-N 405.270 3.498 0 40 HGAB COc1cccc(NC(=O)c2ccc(N3C(=O)c4ccc(C(=O)O)cc4C3=O)cc2)c1 408672626 ODXQDNBIIMIYBL-UHFFFAOYSA-N 416.389 3.446 0 40 HGAB COc1ccc(-c2cc(C(F)(F)F)nc(S[C@H]3C[C@H](O)[C@@H]4OC[C@H]3O4)n2)cc1 15240726 VTGVURHSGJTLAM-KNCOVGOOSA-N 414.405 3.138 0 40 HGAB COc1cc(CNCc2ccco2)ccc1OCc1nnnn1-c1ccc(C)cc1 7540447 UNGJFOHUTGMHQE-UHFFFAOYSA-N 405.458 3.441 0 40 HGAB CC[C@H](C(=O)Nc1cc(=O)[nH]c2nc(CCc3ccccc3)nn12)c1ccccc1 9318540 BELVPDMYGDBLTR-SFHVURJKSA-N 401.470 3.335 0 40 HGAB CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N(Cc2ccc(OC)cc2)C2CC2)C1=O 9594124 FIXJEJVDOFCJLY-DEOSSOPVSA-N 421.497 3.044 0 40 HGAB COc1ccc(C(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C2)cc1 9590755 KNFZBBMICVLDMJ-OAHLLOKOSA-N 401.846 3.436 0 40 HGAB COCCN(C)CC[C@@H](NC(=O)C(=O)Nc1ccc(Cl)cc1F)c1ccccc1 83859402 WTGNMFGTFPEIHA-GOSISDBHSA-N 421.900 3.243 0 40 HGAB CCOCCCNS(=O)(=O)c1ccc(NC(=O)/C=C/c2ccc(OC)cc2)cc1 9614672 IRRJQDKYPSSPGT-VGOFMYFVSA-N 418.515 3.052 0 40 HGAB C[C@@H](Oc1ccccc1F)C(=O)Nc1nnc([S@](=O)Cc2ccccc2)s1 72238657 LKBOWFJTDPDXJO-MUDIAHQHSA-N 405.476 3.391 0 40 HGAB Cc1ccc(CN2CCOC[C@@]3(CC[C@H](CNC(=O)c4ccc(C)cc4)O3)C2)cc1 306135787 PAXKMWPDJXWEKB-ILBGXUMGSA-N 408.542 3.483 0 40 HGAB COc1ccc2c(c1)CCCN2C(=O)CN1CCN(CC(F)(F)F)C[C@H]1C(C)C 95468500 RZQFOSXBQFKAFV-IBGZPJMESA-N 413.484 3.179 0 40 HGAB CCCCN1C(=O)c2ccccc2[C@@H](C(=O)NCCC(=O)OC)C12CCCCC2 79476427 HQQUDAOUDDWITI-FQEVSTJZSA-N 400.519 3.408 0 40 HGAB CC(=O)Nc1ccc(NC(=O)CNS(=O)(=O)/C=C/c2ccc(C)cc2)cc1Cl 9962597 NHHUXBFCYOKOSX-MDZDMXLPSA-N 421.906 3.136 0 40 HGAB O=C(CSc1nc2ccc(N3C(=O)[C@@H]4CCCC[C@H]4C3=O)cc2s1)NC1CC1 408981656 IMQUOUCRQWEUFS-ZIAGYGMSSA-N 415.540 3.347 0 40 HGAB COc1cc(Br)c(S(=O)(=O)N(C2CC2)[C@@H](C)C2CC2)cc1OC 30337098 YXNBVUPXPATXNF-JTQLQIEISA-N 404.326 3.418 0 40 HGAB COc1ccccc1CNC(=O)CCCN(c1cc(C)ccc1C)S(C)(=O)=O 408703646 VTAWKLDVBCJPGI-UHFFFAOYSA-N 404.532 3.175 0 40 HGAB O=C(N[C@H](Cn1ccccc1=O)c1ccccc1)N1CCO[C@H](Cc2ccccc2)C1 508784672 PVZMHNIGQGJTSD-DHIUTWEWSA-N 417.509 3.243 0 40 HGAB Cc1sc2nc(C(C)C)n([C@@H]3CCCN(CC(=O)NC(C)C)C3)c(=O)c2c1C 72347710 MBTPQZQMPWDIOY-MRXNPFEDSA-N 404.580 3.360 0 40 HGAB CCOc1ccc(CCCNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cc1 219978469 LCEMAKKFYUSVSH-UHFFFAOYSA-N 416.543 3.232 0 40 HGAB COc1ccc(NC(=O)CC[C@H]2N=C(O)N([C@H](C)c3ccccc3)C2=O)c(OC)c1 36601932 ZWCLRDJCDVKYAZ-RDTXWAMCSA-N 411.458 3.309 0 40 HGAB COc1ccc(CNC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)c(OC)c1OC 44882815 FGYRJSKBHPDIRE-GOSISDBHSA-N 416.493 3.380 0 40 HGAB COc1cccc(N([C@H](C)C(=O)NCCCc2ccc(Cl)cc2)S(C)(=O)=O)c1 220176918 FWJBPKXZPZUBPO-OAHLLOKOSA-N 424.950 3.252 0 40 HGAB O=C(CN1CC[C@]2(O)CCCC[C@H]2[C@H]1c1ccc2c(c1)OCO2)NCc1ccccc1 16043212 OAPSQBRBZODEOZ-BUUDZMLXSA-N 422.525 3.400 0 40 HGAB biogenic CSc1ccc(S(=O)(=O)Nc2ccc3c(c2)sc(=O)n3C)cc1NC(C)=O 225070939 ZLUKGNRKVYPGGV-UHFFFAOYSA-N 423.541 3.081 0 40 HGAB Cc1c(C(=O)NCc2cccc(C(F)(F)F)c2)cccc1N(C)S(C)(=O)=O 225211513 YWNDFFVGKULKMT-UHFFFAOYSA-N 400.422 3.340 0 40 HGAB CCCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCC(=O)N2CCOCC2)cc1 225702649 ZAEDFTWAUAYCDF-JOCHJYFZSA-N 406.523 3.238 0 40 HGAB Cc1cc(C)cc(N(CCCC(=O)NCCCN2CCC[C@@H](C)C2)S(C)(=O)=O)c1 225528565 WVSMOCUNTQZXTM-GOSISDBHSA-N 423.623 3.088 0 40 HGAB COCCC(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4cc(OC)ccc4O)OCC[C@@]31C2 257281310 OOOMEAHMTNTKSJ-SVRPTRLLSA-N 403.519 3.436 0 40 HGAB Cc1nc([C@H]2CCCN(C(=O)C3CC3)C2)nc(C)c1CC(=O)NCc1ccc(F)cc1 257334635 YGSXLPWJOPUGDQ-IBGZPJMESA-N 424.520 3.207 0 40 HGAB CCC(=O)N1CCC[C@H]1c1cc2nc3c(c(O)n2n1)CCN(C[C@@H]1CC=CCC1)C3 253373123 HSLSPXZAKUIGGW-UZLBHIALSA-N 409.534 3.223 0 40 HGAB Cc1cc(Cc2cccc(F)c2)cc([C@@H]2CN(CC(=O)Nc3cc(C)on3)CCO2)n1 257268799 MNGFQUFXCRESOP-NRFANRHFSA-N 424.476 3.428 0 40 HGAB Cc1nc(/C=C/C(=O)N2CCC[C@H](Cc3cnc(Nc4ccccn4)cn3)C2)cs1 585291387 OQADJQKDMVGZPK-IWAYRVGRSA-N 420.542 3.875 0 40 HGAB COc1ccc2c(c1)N[C@@]1(COC3(CCN(C(=O)[C@@H]4CCCO4)CC3)C1)c1cccn1-2 72327297 DHJIVAIQYIHOOT-RDPSFJRHSA-N 423.513 3.067 0 40 HGAB O=C(NCCc1ccc(F)cc1)c1ccnc(C(=O)NCCc2ccc(F)cc2)c1 97002756 KYDVDGCIWOYRDY-UHFFFAOYSA-N 409.436 3.305 0 40 HGAB C[C@@]1(c2cccc(C(=O)N3CCc4[nH]c5ccc(Cl)cc5c4C3)c2)NC(=O)NC1=O 84668186 NPSUSFMSLVJMBE-QFIPXVFZSA-N 422.872 3.074 0 40 HGAB COc1ccc(S(=O)(=O)Nc2ccc(C)c(N3CCCCC3=O)c2)c(OC)c1 5330147 IKDQXIQKAKQTII-UHFFFAOYSA-N 404.488 3.330 0 40 HGAB CC(=O)CCc1ccc(OC[C@@H](O)CNC2CCN(Cc3ccccc3)CC2)cc1 13145613 HPVICPOFRQRDQQ-DEOSSOPVSA-N 410.558 3.202 0 40 HGAB O=C(Cn1nnc2c(cnn2-c2ccccc2)c1=O)N(c1ccccc1)c1ccccc1 13563167 ITWBJYNCMVLAPR-UHFFFAOYSA-N 422.448 3.342 0 40 HGAB CCC[C@@H](C)NC(=O)[C@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1 13682296 WIBBEVGMMATGCI-OXQOHEQNSA-N 402.516 3.089 0 40 HGAB CC[C@@H](C(=O)Nc1ccc(OC)c(OC)c1)N(c1ccc(C)cc1)S(C)(=O)=O 13713163 KNAWKBVBRBJECX-KRWDZBQOSA-N 406.504 3.196 0 40 HGAB Cc1cc(N2C(=O)[C@H]3[C@@H]4CC[C@@H](O4)[C@@H]3C2=O)nn1Cc1c(Cl)cccc1Cl 13960417 OGYJEMNQVVWGSK-FSDCSDTHSA-N 406.269 3.213 0 40 HGAB O=C(NCCOc1ccc2ccccc2c1)c1ccc(S(=O)(=O)N2CCCC2)cc1 16142163 DDUGDEQIELZFJD-UHFFFAOYSA-N 424.522 3.433 0 40 HGAB CN1CCN(c2ccc(NC(=S)NC(=O)c3cccc(F)c3)cc2Cl)CC1 17087572 XKRQTPHTWVSPQW-UHFFFAOYSA-N 406.914 3.358 0 40 HGAB COc1ccc(-c2ccc(C[C@@H]3CN(C(=O)c4ccncc4)CCNC3=O)cc2)cc1 19558351 XDIAIVARUMEDOI-JOCHJYFZSA-N 415.493 3.188 0 40 HGAB CN(C[C@H]1OCCc2ccccc21)C(=O)C12C[C@@H]3C[C@H](C1)CC(n1cncn1)(C3)C2 19585984 LBAWXNWZSBGWCQ-NWLMGIFWSA-N 406.530 3.346 0 40 HGAB CNC(=O)[C@@]1(Cc2ccccc2-c2ccncc2)CCCN(C(=O)c2cccnc2)C1 19591238 JQWHJYLPGQKITR-RUZDIDTESA-N 414.509 3.355 0 40 HGAB CCC(=O)N1CCCN(Cc2cccnc2)CCCN(C(C)=O)c2ccccc2C1 643579550 GBKYXEVTWOPMLW-UHFFFAOYSA-N 408.546 3.469 0 40 HGAB CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@@H]2COc3ccccc3O2)ccc1Cl 9545460 YVVRZJVUEJLZEE-KRWDZBQOSA-N 424.906 3.149 0 40 HGAB Cc1cc(C(=O)CN2CCN(CC(=O)Nc3ccc(F)cc3)CC2)c(C)n1C1CC1 22790930 QQKAEYHFFIAMMC-UHFFFAOYSA-N 412.509 3.018 0 40 HGAB C[C@@H](CO)NC(=O)c1cc(-c2ccc(OC(F)(F)F)cc2)nc(-c2cccnc2)n1 1857524009 CSSGBPKFVJOAIZ-LBPRGKRZSA-N 418.375 3.215 0 40 HGAB O=C1N(CC2CC2)[C@@H](c2ccccc2)[C@H](O)C[C@@]12CCCN(Cc1nccs1)C2 2037879063 MBQDLXFEUQPDJG-UNWVZKJWSA-N 411.571 3.470 0 40 HGAB O=C(c1ccc(F)c(Cl)c1)N1CCC(F)(CNCCOc2ccccn2)CC1 1903860551 ZMEGJWWPDKBOER-UHFFFAOYSA-N 409.864 3.487 0 40 HGAB CCOc1ccc(C(=O)Nc2cccc(N3CCCS3(=O)=O)c2)cc1OCC 5075875 YYTRFZZHBOYNDM-UHFFFAOYSA-N 404.488 3.276 0 40 HGAB COc1cccc(NC(=O)CSc2ncnc3c2nnn3Cc2ccccc2F)c1 11758525 GNXBITRDUXUCOT-UHFFFAOYSA-N 424.461 3.148 0 40 HGAB CCOc1ccc2ncc(S(=O)(=O)c3ccccc3)c(N3CCN(C)CC3)c2c1 20381831 AMRAAFUYUWPOGA-UHFFFAOYSA-N 411.527 3.218 0 40 HGAB CN1CCN([C@@H](c2ccc(F)cc2)c2sc3nc(-c4ccco4)nn3c2O)CC1 22577375 CAFJOBYJAIIIHT-INIZCTEOSA-N 413.478 3.232 0 40 HGAB COc1ccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H]5ON=C(c6ccc(C)cc6)[C@@H]45)[C@H]3C2=O)cc1 100204517 QUTVFXKBAUWMRT-MWDFQMAHSA-N 402.450 3.178 0 40 HGAB O=C(Cn1c(=O)oc2ccccc21)N1CCC(c2nnc(-c3ccco3)s2)CC1 49363106 PGZDWDLQAOMHAO-UHFFFAOYSA-N 410.455 3.112 0 40 HGAB O=S(=O)(NC[C@](O)(c1ccsc1)c1ccco1)c1ccc(F)c(Cl)c1 244975151 IDLDWDOQYALYND-INIZCTEOSA-N 401.868 3.348 0 40 HGAB CC[C@H](C)[C@H](NC(=O)N1C=C(O)Nc2ccccc21)C(=O)N[C@H](C(=O)O)[C@H](C)CC 9046046 CSSJVRRJMBZJLL-GGNLRSJOSA-N 418.494 3.015 0 40 HGAB COc1cc(C(=O)N[C@@H](C)C(=O)N[C@@H](C)c2cc(C)sc2C)cc(OC)c1OC 40074224 CDGRZRZXKZVESJ-STQMWFEESA-N 420.531 3.386 0 40 HGAB COc1ccc(C(=O)N(C)[C@@H]2CCCc3ccccc32)cc1S(=O)(=O)NC1CC1 40057976 ZKAABIPCXYALOK-LJQANCHMSA-N 414.527 3.286 0 40 HGAB O=C(CS[C@@H]1CCS(=O)(=O)C1)Nc1cccc(OCc2ccc(F)cc2)c1 30391953 VXBWRGPWZWDGNH-GOSISDBHSA-N 409.504 3.264 0 40 HGAB NC(=O)[C@H](OC(=O)CCc1nc(-c2ccc(Cl)cc2)no1)c1ccc(F)cc1 11259995 RIJXTFYORLWHCX-QGZVFWFLSA-N 403.797 3.232 0 40 HGAB CCCc1nc(CN2CCN(S(=O)(=O)c3c(C)c(C)c(C)c(C)c3C)CC2)no1 59993284 ZSTDPTKJSLYSCD-UHFFFAOYSA-N 420.579 3.071 0 40 HGAB COc1ccccc1CN(Cc1cc2cc(C)ccc2n2nnnc12)C(=O)N(C)C 1367210 XYBFKHIUAOUABQ-UHFFFAOYSA-N 404.474 3.278 0 40 HGAB O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1)NC[C@@H]1CCCO1 3465776 JAWNIPXQBONAHH-SFHVURJKSA-N 412.490 3.461 0 40 HGAB O=C(COC(=O)c1cccc(N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2=O)c1)c1ccccc1 4157376 GFAYCKKQCVIIGB-LPTDTENNSA-N 403.434 3.262 0 40 HGAB CC(C)OCCCNC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(F)cc1 6344161 QDWQYTGAUQLOTH-UHFFFAOYSA-N 414.543 3.080 0 40 HGAB C[C@H]1CN(CCCNC(=O)Cc2ccc(NC(=O)OC(C)(C)C)cc2)C[C@H](C)O1 32755418 FOZSRWAARUVPNY-IRXDYDNUSA-N 405.539 3.192 0 40 HGAB CCCN(CCC)S(=O)(=O)c1cccc(C(=O)NCc2ccc(OC)cc2)c1 8986861 LEIVRKLEPFCHRE-UHFFFAOYSA-N 404.532 3.436 0 40 HGAB Cc1ccccc1N1CCN(C(=O)NCCc2cc(Cl)c3c(c2)OCCO3)CC1 32863237 WNYHMDVZSMRBPL-UHFFFAOYSA-N 415.921 3.494 0 40 HGAB CC(C)Cc1noc(CN2C(=O)N[C@@](Cc3ccccc3)(c3ccccc3)C2=O)n1 32905384 GBKHMBPGHBJGMQ-QHCPKHFHSA-N 404.470 3.458 0 40 HGAB COc1ccc(C(=O)N(C)Cc2ccc([C@H]3C[C@H]3C)o2)cc1S(=O)(=O)NC(C)C 29885164 YRLBZYUWXYUWMI-PBHICJAKSA-N 420.531 3.371 0 40 HGAB CCOC(=O)[C@@H](C(=O)CSc1nnc(-c2ccoc2C)n1C)c1nc(C)cs1 103034791 QYNFGKVGGYLKIW-AWEZNQCLSA-N 420.516 3.157 0 40 HGAB COc1cccc(N2CCN(C[C@@H](O)COCC3=CC[C@H]4C[C@H]3C4(C)C)CC2)c1 103002997 USOHZXUXXDAEQE-XKCSPQBFSA-N 400.563 3.187 0 40 HGAB COc1ccc(C)cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2cc(F)ccc2C)C1 20016994 BHRXSIDKIRHOJG-MRXNPFEDSA-N 420.506 3.491 0 40 HGAB COc1ccc([C@H]2C(C(=O)OCc3ccccc3)=C(C)Nc3ncnn32)cc1OC 949740 JAEMYOOHALNREH-FQEVSTJZSA-N 406.442 3.328 0 40 HGAB O=C(NCCC(=O)N1CCN(Cc2cccc(Cl)c2)CC1)c1ccc(Cl)cc1 23639173 FZIINRICBQCYCG-UHFFFAOYSA-N 420.340 3.458 0 40 HGAB COc1ccc([C@@H](NC(=O)c2ccc3c(c2)NC(=O)CCS3)c2nccn2C)cc1 24025742 DBRHCONGGSRRTR-HXUWFJFHSA-N 422.510 3.382 0 40 HGAB O=C(O)c1[nH]c2ccc(Br)cc2c1CCN1C(=O)c2ccccc2C1=O 1471032 HDHVLFPFHNXWKF-UHFFFAOYSA-N 413.227 3.467 0 40 HGAB CCOC(=O)c1[nH]c(CN2CCN(c3ccc(F)cc3)CC2)c(C(=O)OCC)c1C 57315503 GUTJFZWKOCSHHZ-UHFFFAOYSA-N 417.481 3.138 0 40 HGAB Cc1cccc(-n2c(=O)c3sccc3n(CC(=O)Nc3ccccc3F)c2=O)c1 57490093 YPFRFLMNGWCSLQ-UHFFFAOYSA-N 409.442 3.300 0 40 HGAB CCn1c(CN2CCOCC2)nnc1SCC(=O)c1ccc(Cl)cc1Cl 57411609 SFXBESYNQXJUMB-UHFFFAOYSA-N 415.346 3.412 0 40 HGAB C[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O 102085703 NULPPYSPHVETMP-OGBFVYCISA-N 405.281 3.374 0 40 HGAB Cc1ccc2c(c1)[C@@H](NC(=O)CN(c1ccccc1)S(C)(=O)=O)CC(C)(C)O2 22326636 OKTHTBKFQVBXGP-SFHVURJKSA-N 402.516 3.180 0 40 HGAB O=C(CNC(=O)c1cccc(Br)c1)OCC(=O)c1ccc(Cl)cc1 2052609 PRGQWXHCHWJEKQ-UHFFFAOYSA-N 410.651 3.258 0 40 HGAB C[C@@H](NC(=O)Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)c1cccnc1 12541773 BVCCPUMPSFRDHS-OAHLLOKOSA-N 413.474 3.441 0 40 HGAB O=C1c2ccccc2S(=O)(=O)N1CCSc1nccn1-c1ccc(Cl)cc1 10270745 JNCIUJLUTGTCJF-UHFFFAOYSA-N 419.915 3.463 0 40 HGAB COc1cccc([C@H](CNC(=O)c2ccc(N3CCCC3=O)cc2)N2CCCC2)c1 12599704 IAEWETLJMTWDAK-QFIPXVFZSA-N 407.514 3.389 0 40 HGAB CCc1ccc(N2C[C@@H](C(=O)Nc3ccc(N4CCN(C)CC4)cc3C)CC2=O)cc1 12514847 BNDSAOBMWZSDAU-FQEVSTJZSA-N 420.557 3.301 0 40 HGAB CC[C@H]1CCCCN1C(=O)COC(=O)c1ccc(I)cc1 3249160 IEUTYBGSNLRHHM-AWEZNQCLSA-N 401.244 3.239 0 40 HGAB CN(C)S(=O)(=O)c1ccc(C(=O)Oc2ccc(C(=O)c3ccccc3)cc2)cc1 3288860 YQOHCGJTNHPBOF-UHFFFAOYSA-N 409.463 3.387 0 40 HGAB COc1ccc(NC(=O)c2ccc(CN3CCN(C[C@H]4CCCO4)CC3)cc2)cc1 23761757 GSINNJPYHCFING-HSZRJFAPSA-N 409.530 3.244 0 40 HGAB Cn1c(SCC(=O)Nc2ccccc2Br)nnc1-c1ccccn1 2381181 YQFKAWYCPNBBPO-UHFFFAOYSA-N 404.293 3.370 0 40 HGAB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)COc1ccc(N2CCCC2=O)cc1 11084044 YVFIQGRRRQQBAE-UHFFFAOYSA-N 418.497 3.096 0 40 HGAB C[C@H](NC(=O)OC(C)(C)C)c1nnc(S(=O)(=O)Cc2c(F)cccc2Cl)o1 2417495 FQOQCGKNGUIILU-VIFPVBQESA-N 419.862 3.422 0 40 HGAB Cc1ccc(N2CCN(S(=O)(=O)c3ccc(N4CCCC4=O)cc3)C[C@@H]2C)cc1 36614463 OEQNIIWYGKTGIA-SFHVURJKSA-N 413.543 3.021 0 40 HGAB COc1cc(OC)cc([C@H](NC(=O)CCc2nc3ccccc3o2)c2nccn2C)c1 12628835 DKPXHHUSVUSNAN-QFIPXVFZSA-N 420.469 3.417 0 40 HGAB O=C(c1cn(-c2ccccc2)nc1-c1ccccc1)N1CCN(c2ncccn2)CC1 3358386 BBCKYQSGWKTFHD-UHFFFAOYSA-N 410.481 3.292 0 40 HGAB Cc1ccccc1[C@H](OC[C@@H](O)CN1C(=O)N[C@@](C)(C2CC2)C1=O)c1ccccc1 12798547 XSNWZOVAXKKCKE-LEEZEASISA-N 408.498 3.182 0 40 HGAB CN(C)C(=O)COC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccccc1 12757017 DQOZBGDUFFUYSY-UHFFFAOYSA-N 414.465 3.392 0 40 HGAB C[C@H](NC(=O)Cn1nnc(COc2ccccc2)n1)c1cccc(C(F)(F)F)c1 48326021 XHUDHHCCUSCFCA-ZDUSSCGKSA-N 405.380 3.148 0 40 HGAB O=C(NC[C@@H]1CCCO1)c1ccc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1 3417361 CWDYRFODLYVLRF-AWEZNQCLSA-N 412.870 3.189 0 40 HGAB O=C(C1CCN(c2ccc3nncn3n2)CC1)N1CCC(CCc2ccccc2)CC1 12915657 DOIJQOZIAVBQBT-UHFFFAOYSA-N 418.545 3.212 0 40 HGAB Cc1nc(C)c2c(C)c(C(=O)NC[C@@H](c3ccc(C)o3)N3CCOCC3)sc2n1 12929939 DRLBQPZOEUZTTF-INIZCTEOSA-N 414.531 3.321 0 40 HGAB CCOc1ccc(N2C[C@@H](C(=O)Nc3ccc(N4CCCC4=O)cc3)CC2=O)cc1 12977956 ZNASKEYJCOGBAN-INIZCTEOSA-N 407.470 3.204 0 40 HGAB Cc1nn(C)c(C)c1S(=O)(=O)N(Cc1cccs1)c1ccc2c(c1)OCCO2 8156338 UXAZTSUYOFCQLR-UHFFFAOYSA-N 419.528 3.265 0 40 HGAB COC(=O)c1ccc(NC(=O)C[C@H](NC(=O)C(F)(F)F)c2cccs2)cc1 4092815 MRSRRGWWMKCDQV-LBPRGKRZSA-N 400.378 3.283 0 40 HGAB COc1ccc(C(=O)N2CCC[C@@H](C(=O)N(C)Cc3nccn3C)C2)c2ccccc12 49604844 AJXFYBRQLOKVAO-QGZVFWFLSA-N 420.513 3.093 0 40 HGAB C[C@H]1Cc2ccccc2N1C(=O)CN1C(=O)N[C@@](C)(c2cc3ccccc3o2)C1=O 8316412 IJEKWKVJLIFUDP-PSLXWICFSA-N 403.438 3.178 0 40 HGAB COC(=O)c1ccc(COC(=O)CNC(=O)c2sc3ccccc3c2Cl)o1 8326215 WKNZNWDJYGKPBO-UHFFFAOYSA-N 407.831 3.408 0 40 HGAB CN(C)S(=O)(=O)n1nc(/C=C/c2ccc(Cl)cc2)nc1-c1ccccc1O 5274344 VJAMKCKDZIDDMV-FMIVXFBMSA-N 404.879 3.129 0 40 HGAB CCOCCCn1c(SCC(=O)N2CCc3ccccc32)nnc1-c1ccncc1 5358540 YNEUXRMLLKSKMS-UHFFFAOYSA-N 423.542 3.448 0 40 HGAB COCCn1c(S[C@@H](C)C(=O)Nc2ccc(Cl)cn2)nc2ccccc2c1=O 6507548 JKIBGROVYLAQFO-LBPRGKRZSA-N 418.906 3.211 0 40 HGAB O=C(OCC(=O)N1CCCCC1)c1cn(Cc2ccccc2)nc1-c1cccnc1 6559091 JRTBSOYDJPWFEI-UHFFFAOYSA-N 404.470 3.163 0 40 HGAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)N[C@H]2CCCc3ccccc32)cc1 20013894 XWCYGFHBNZTHKA-NRFANRHFSA-N 416.543 3.290 0 40 HGAB CCc1cccc(NC(=O)c2nnn(Cc3ccc(Br)cc3)c2N)c1 4852373 YWPMOEODUIRJAZ-UHFFFAOYSA-N 400.280 3.486 0 40 HGAB Cc1cc2nc(SCC(=O)Nc3ccc4c(c3)OCCO4)n(C(C)C)c(=O)c2[nH]1 67236098 YCWWXYLSHPHNOS-UHFFFAOYSA-N 414.487 3.116 0 40 HGAB COc1ccc2cc(/C=C/C(=O)N3CCN(CC(=O)N4CCCCC4)CC3)ccc2c1 16180891 ILWAOGHDAPTRCO-UXBLZVDNSA-N 421.541 3.018 0 40 HGAB O=C(Cc1csc(-c2ccccn2)n1)Nc1cccc(-c2nnnn2C2CC2)c1 9710173 YIXOAPZUBWDZFK-UHFFFAOYSA-N 403.471 3.375 0 40 HGAB CCc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2[C@@H]2CCS(=O)(=O)C2)cc1 8917066 RKDUWBXRFDRQCQ-UZLBHIALSA-N 423.490 3.088 0 40 HGAB COc1ccc(C(=O)NCc2nnc3c(C(F)(F)F)cc(Cl)cn23)cc1OC 9041956 NQCNWPPDWRGPHN-UHFFFAOYSA-N 414.771 3.349 0 40 HGAB COc1ccc(Cl)cc1NC(=O)CSc1nc(O)cc(=O)n1C1CCCC1 9283154 MZDDWALFUKWJGS-UHFFFAOYSA-N 409.895 3.457 0 40 HGAB O=C(CSc1nccn1Cc1ccccc1)NC(=O)Nc1ccc2c(c1)OCCO2 9349842 ZNKRETQONKMFDW-UHFFFAOYSA-N 424.482 3.143 0 40 HGAB O=C(Cc1csc(NS(=O)(=O)c2ccc(Cl)cc2)n1)NCc1ccccc1 9828507 MLFKODZOHCOCII-UHFFFAOYSA-N 421.931 3.456 0 40 HGAB CC(=O)N[C@H](C)CCc1ccc(-c2csc(NC(=O)c3ccc(=O)[nH]c3)n2)cc1 9864306 BPOSKVNLQMMAFO-CYBMUJFWSA-N 410.499 3.208 0 40 HGAB CN1CCN(C(=O)Nc2ccc(C(F)(F)F)cc2)[C@H](CNC(=O)OC(C)(C)C)C1 84240573 LGWUPBNTZCZTEK-OAHLLOKOSA-N 416.444 3.378 0 40 HGAB O=C(Nc1nncs1)[C@H]1c2ccccc2C(=O)N(C[C@H]2CCCO2)C12CCCC2 72400396 YOQPFTGIHXJWIK-RHSMWYFYSA-N 412.515 3.208 0 40 HGAB O=C1C[C@H](C(=O)N2CCN(c3ccc(F)cc3)CC2)CN1Cc1ccccc1Cl 95948261 ZLGRUNHSCFXGRS-KRWDZBQOSA-N 415.896 3.176 0 40 HGAB COc1cc(C(=O)Nc2cc(C(N)=O)ccc2N2CCCC2)ccc1OC(F)F 9904271 UPFUHASHOHORQN-UHFFFAOYSA-N 405.401 3.248 0 40 HGAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)NCc2ccc(Cl)cc2)cc1C 30319671 UXKRSJWBGQUMFU-UHFFFAOYSA-N 424.950 3.374 0 40 HGAB O=S(=O)(Cc1cccc(F)c1)N1CCC[C@H]1c1cncc(Nc2ccccn2)n1 72376387 RLMCILMPOPPCLA-SFHVURJKSA-N 413.478 3.421 0 40 HGAB CC(=O)Nc1cccc(NC(=O)CC2(N3Cc4ccccc4C3=O)CCOCC2)c1 1565524464 NHOIVUZGSRNXQV-UHFFFAOYSA-N 407.470 3.179 0 40 HGAB COc1ccc(N2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N[C@@H](C)CCCC(C)C)[C@H]4C2=O)cc1 36369699 OLAUHODKTOCQBC-YPEAGQFRSA-N 412.530 3.313 0 40 HGAB CCOc1ccc(CNC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1 219755493 SZUJZMYVYMBSRV-LJQANCHMSA-N 422.934 3.208 0 40 HGAB O=C(c1ccc(Cl)cc1)[C@H]1[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]2[C@H]2CCCN21 138738098 UPVXRZXAZJOAQF-FCGDIQPGSA-N 412.848 3.314 0 40 HGAB CC[C@H](C(=O)n1cc(C(=O)OC)c2ccccc21)N(c1ccccc1)S(C)(=O)=O 222612417 XJAUDNTYMNJQCB-GOSISDBHSA-N 414.483 3.313 0 40 HGAB O=C1C[C@H](c2cccc(Cl)c2)[C@H](n2cncn2)C(=O)[C@H]1[C@@H]1NCCc2ccccc21 49772133 YACGSFQFKLDZPH-NMIHRBCNSA-N 420.900 3.302 0 40 HGAB COc1cccc(-c2noc(CCC(=O)N3CCN(c4ccccc4F)CC3)n2)c1 225824671 ANAITTIVGDRRTN-UHFFFAOYSA-N 410.449 3.166 0 40 HGAB CC[C@H](C(=O)NCCCc1ccccc1OC)N(c1ccccc1F)S(C)(=O)=O 220601344 AMLZZVQWSKHNRW-GOSISDBHSA-N 422.522 3.128 0 40 HGAB O=c1/c(=C/c2cccc(O)c2)sc2n1[C@H](c1ccccc1)C(c1ccccc1)=NN=2 85984310 ZSFGMKJRLRUHMR-MNJKBJKMSA-N 411.486 3.071 0 40 HGAB COc1cccc(-c2noc(CN(C)S(=O)(=O)Cc3cccc(Cl)c3)n2)c1 223644171 PYEDGXFYDKPBJO-UHFFFAOYSA-N 407.879 3.360 0 40 HGAB CSc1cccc(NS(=O)(=O)c2nnc(NC(=O)c3ccccc3)s2)c1 223351736 GLEZNDAAEKYWAK-UHFFFAOYSA-N 406.514 3.313 0 40 HGAB CS(=O)(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccco2)cc1 225384673 FILZJBHJMQWLLW-ZWKOTPCHSA-N 414.512 3.223 0 40 HGAB CSc1ccc(S(=O)(=O)NCCOc2cc(C)ccc2C)cc1NC(C)=O 224049282 JMNTXECJCZUKQF-UHFFFAOYSA-N 408.545 3.341 0 40 HGAB CC(C)CCN1[C@]2(CCN(C(=O)NC3CCCC3)C2)c2ccccc2S1(=O)=O 96143262 JQAQPUGVQAJFLA-NRFANRHFSA-N 405.564 3.290 0 40 HGAB CCc1ccc(NC(=O)N2CCC[C@]3(CC(C(=O)NCc4ccncc4)=NO3)C2)cc1 96225332 RFISRFGEDPWLOB-QHCPKHFHSA-N 421.501 3.103 0 40 HGAB c1cnc(Oc2cccc(CN3CCOC[C@H](Cc4ccc5nccn5n4)C3)c2)nc1 257306237 STJZQBFYBHBEMF-LJQANCHMSA-N 416.485 3.003 0 40 HGAB Cc1cc(-c2nccn2C)nc([C@H]2CCCN(C(=O)c3ccc4[nH]cnc4c3)C2)n1 257240064 HRXGUBTWRMPCDG-INIZCTEOSA-N 401.474 3.082 0 40 HGAB CC(=O)N1CC2=C(C1=O)[C@@H](c1ccc3c(c1)OCO3)c1cn(C)c3cccc(c13)N2 604404796 LFOHTKGNFCTYLX-FQEVSTJZSA-N 401.422 3.107 0 40 HGAB biogenic Cc1cc(C)nc(Nc2nccnc2[C@@H]2CCCN(C(=O)/C=C/c3ccccc3)C2)n1 585292891 UBZXFVZGYWGAHL-CTDFXDFQSA-N 414.513 4.046 0 40 HGAB COc1ccc([C@@H]2CCCN2C(=O)C2CCN(C(=O)N3CCCC3)CC2)c(OC)c1 69930330 HWDUTGLFIODHMG-FQEVSTJZSA-N 415.534 3.295 0 40 HGAB Cc1cn([C@H]2C[C@H](O)[C@H](CO)O2)c(=O)nc1NC1CCCCCCCCCCC1 5496608 NLXIYELCOAXGBJ-SLFFLAALSA-N 407.555 3.278 0 40 HGAB COc1cccc(CNC(=O)[C@@H]2[C@@H]3[C@H]2CC[C@@]32CC(=O)c3ccccc3O2)c1OC 12330051 YYNWUEYAZSSTND-IEUDEEBGSA-N 407.466 3.380 0 40 HGAB COc1ccccc1-n1c(=O)n(Cc2ccc(F)cc2Cl)c(=O)c2cccnc21 12371812 WLTDYWAYKCTCOH-UHFFFAOYSA-N 411.820 3.397 0 40 HGAB CC[C@H](C)C(=O)O[C@H]1CCC=C2C=C[C@H](C)[C@H](CC[C@H](O)C[C@@H](O)CC(=O)O)[C@H]21 14806786 BOZILQFLQYBIIY-VSFGXXFPSA-N 408.535 3.470 0 40 HGAB in-vitro O[C@@H]1C[C@@H](c2nc(-c3ccc(OC(F)(F)F)cc3)no2)N(Cc2cccnc2)C1 15674263 DOHVFMLYDMPSPF-ZBFHGGJFSA-N 406.364 3.338 0 40 HGAB biogenic,in-vitro Cc1ccn2cc(C(=O)N3CCC[C@]4(CCC(=O)N4)[C@H]3c3ccc(F)cc3)nc2c1 19238173 CLSXYBKKGNUGQE-GGAORHGYSA-N 406.461 3.408 0 40 HGAB O=C(c1cccnc1)N1CCC[C@H]1c1nc(O)c2c(n1)CN(CC1CCCCC1)CC2 19337520 KNSJETDJLREJPW-NRFANRHFSA-N 421.545 3.493 0 40 HGAB COc1ccc([C@H](NC(=O)C[C@H]2C(=O)NCCN2C2CCCC2)c2ccccc2)cc1 19553324 JDQHNFAGRDFFBK-LADGPHEKSA-N 421.541 3.034 0 40 HGAB CN(C)c1ncc(-c2ccc(C(N)=O)cc2)c([C@H]2CCCN2C(=O)c2ccccc2)n1 19690441 WGOXAMRLZFRDEM-HXUWFJFHSA-N 415.497 3.286 0 40 HGAB CNC(=O)c1sc2ccccc2c1[C@@H]1CN(Cc2cccnc2N(C)C)CCO1 19697632 NSBJWUOWWHJRBX-KRWDZBQOSA-N 410.543 3.295 0 40 HGAB CCN(CC(=O)Nc1cccc(C(C)=O)c1)S(=O)(=O)c1ccc(OC)c(Cl)c1 19930235 KULNOROXTXFEMS-UHFFFAOYSA-N 424.906 3.201 0 40 HGAB Cc1ccc([C@H]2CC(=O)c3cnc(N4CCN(C(=O)c5ccco5)CC4)nc3C2)cc1 19973872 VAHJFEPEQVNXNS-GOSISDBHSA-N 416.481 3.253 0 40 HGAB C[C@@H](Oc1ccc(Br)cc1)C(=O)OCc1cc(=O)n2ccsc2n1 5580755 CHRYYXWGQVJEER-SNVBAGLBSA-N 409.261 3.029 0 40 HGAB Cc1cc2c(N3CCC(Cn4c(C)nc5cc(F)ccc5c4=O)CC3)nccn2n1 1888913827 OISPUOPQZWPXEO-UHFFFAOYSA-N 406.465 3.112 0 40 HGAB CSc1ccccc1-c1nnc(NC(=O)CS(=O)(=O)c2ccc(C)cc2)o1 5240233 ZGKWLIQOEMFWSH-UHFFFAOYSA-N 403.485 3.179 0 40 HGAB Cc1ccc(-n2nc3c(c2NC(=O)C(=O)NCCCOC(C)C)CSC3)c(C)c1 5437857 OIXMJFBZIZCTHR-UHFFFAOYSA-N 416.547 3.106 0 40 HGAB CCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N(CC)CCO3)cc1C 8961628 QDQPSAPXMHDDDL-UHFFFAOYSA-N 404.488 3.049 0 40 HGAB CC(=O)N1CCc2c(sc(NC(=O)CCCSc3ccccc3)c2C(N)=O)C1 10217830 OUAPYCYIPRIJPE-UHFFFAOYSA-N 417.556 3.263 0 40 HGAB CCN1C(=O)c2cccc3c(NC(=O)CS(=O)(=O)Cc4ccccc4)ccc1c23 10619030 XXAVFPNMYJPZML-UHFFFAOYSA-N 408.479 3.373 0 40 HGAB COc1ccc(NC(=O)C[C@H]2CCCCN2S(=O)(=O)c2cccs2)c(OC)c1 11027646 YNRBLCHDEPOJNQ-CQSZACIVSA-N 424.544 3.337 0 40 HGAB COC(=O)c1ccccc1NC(=O)CCCn1nc(-c2ccc(F)cc2)ccc1=O 12440935 LIHDGLOHVAQVBO-UHFFFAOYSA-N 409.417 3.255 0 40 HGAB Cc1c(C(=O)N2CCN(C(=O)[C@@H]3C[C@H]3c3cccs3)CC2)cnn1-c1ccccc1 38730940 CZTTYFULWOGXSJ-RTBURBONSA-N 420.538 3.330 0 40 HGAB O=S(=O)(Cc1ccccc1Cl)NC[C@](O)(c1ccccc1)C1CCOCC1 575610790 APDFNSCSWWUTMY-FQEVSTJZSA-N 409.935 3.074 0 40 HGAB O=S(=O)(NCCCn1ccnc1)c1c(Cl)cc(Br)cc1Cl 37383364 ILWAUKRBJRNPRA-UHFFFAOYSA-N 413.124 3.321 0 40 HGAB COC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@H]2[C@@H]2c3ccccc3C=CN12 247809937 BXXHLOUIOGUWCB-YRXWBPOGSA-N 408.841 3.028 0 40 HGAB CNS(=O)(=O)c1ccc(C(=O)Nc2cc(Cl)ccc2N2CCCCC2)cc1 31487061 IXDHZEMNDTVUGG-UHFFFAOYSA-N 407.923 3.491 0 40 HGAB CCOC(=O)c1ccc(NC(=O)CSc2nnnn2-c2cccc(Cl)c2)cc1 669963 KVXPAVMNDPGUKU-UHFFFAOYSA-N 417.878 3.223 0 40 HGAB O=C(CSc1nnc(NCc2ccccc2)s1)NCc1ccc2c(c1)OCO2 2658300 NJTSYJXBXKRPJV-UHFFFAOYSA-N 414.512 3.287 0 40 HGAB CCOc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OCC(F)(F)C(F)(F)F)cc1 3098591 GCKVCCCQEVFIII-CYBMUJFWSA-N 408.323 3.454 0 40 HGAB COc1ccccc1NC(=O)CSc1nnc(Cc2cccc3ccccc23)n1N 3320537 GRDRHLUOAYEDLV-UHFFFAOYSA-N 419.510 3.475 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2c(C)cccc2C)cc1 3343247 VEBXDIBHONDWGZ-UHFFFAOYSA-N 418.515 3.129 0 40 HGAB CC(C)[C@H](NC(=O)c1ccco1)C(=O)OCC(=O)c1ccc(Br)s1 3371045 AQVDJHJNYFEOSI-AWEZNQCLSA-N 414.277 3.284 0 40 HGAB CSc1ccccc1NC(=O)CN(C)CC(=O)Nc1ccc2c(c1)OC(F)(F)O2 3455619 OTELRJLBMLQWIH-UHFFFAOYSA-N 423.441 3.239 0 40 HGAB C[C@H](C(=O)OCC(=O)Nc1cccc(Cl)c1Cl)N1C(=O)c2ccccc2C1=O 3480202 PPUFEPVJZDPNBW-SNVBAGLBSA-N 421.236 3.160 0 40 HGAB O=C(COC(=O)C[C@H]1Sc2ccccc2NC1=O)N[C@H]1CCCc2ccccc21 3504607 UBONZWRHXYWMSI-QFBILLFUSA-N 410.495 3.227 0 40 HGAB CCOc1ccccc1[C@H]1C(C(N)=O)=C(C)N=C2N=C(c3cccc(Cl)c3)NN21 4279818 WVHNXOGCBIKEGJ-SFHVURJKSA-N 409.877 3.176 0 40 HGAB O=c1c2ccccc2cnn1Cc1nc2c3c4c(sc3ncn2n1)CCCCC4 4772681 BASOXDVMOCLNQD-UHFFFAOYSA-N 402.483 3.366 0 40 HGAB CS(=O)(=O)N(CC(=O)NCCSCc1ccccc1)c1ccccc1Cl 4957230 LVWBKKRCOLFAIJ-UHFFFAOYSA-N 412.964 3.156 0 40 HGAB Cc1c(N(Cc2ccccc2Cl)S(C)(=O)=O)c(=O)n(-c2ccccc2)n1C 4999223 JGRLTBFHUDFBTE-UHFFFAOYSA-N 405.907 3.104 0 40 HGAB O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc(Cl)c(Cl)c1 5633543 BKPNNQJYAQVMGI-UHFFFAOYSA-N 415.298 3.267 0 40 HGAB Cc1c(NC(=O)[C@@H](C)OC(=O)c2ccc(Cl)cc2)c(=O)n(-c2ccccc2)n1C 5782577 XJJHPQPXNLRJRS-CQSZACIVSA-N 413.861 3.322 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)CN2c3ccccc3C[C@H]2C)c1 6026358 LDYPUUWLCJDEGN-QGZVFWFLSA-N 415.559 3.415 0 40 HGAB Cc1ccc(O[C@H](C)C(=O)N(Cc2ccccc2F)[C@@H]2CCS(=O)(=O)C2)cc1C 6811067 WXWRXNHWVLWEQU-IEBWSBKVSA-N 419.518 3.426 0 40 HGAB CCNS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(Br)cc2)cc1 6891551 RNPGKMIMURQMSY-UHFFFAOYSA-N 411.321 3.319 0 40 HGAB CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@@H]2COc3ccc(Cl)cc3C2)cc1 7966296 PXSBEJQBJJNYGH-AWEZNQCLSA-N 408.907 3.217 0 40 HGAB C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCC(Cc2ccccc2)CC1 8223236 CBWYEKZPHXHRJK-MRXNPFEDSA-N 420.962 3.488 0 40 HGAB COc1ccc([C@@]2(C)NC(=O)N(Cc3c(F)c(F)c(F)c(F)c3F)C2=O)cc1 8327388 MORPBXCRUDGAKY-GOSISDBHSA-N 400.303 3.358 0 40 HGAB O=C(N[C@@H]1CCN(Cc2ccccc2)C1)c1ccc(Cn2nnc3ccccc32)cc1 8748401 DUTGNIFFJWTTDD-JOCHJYFZSA-N 411.509 3.484 0 40 HGAB CSc1nc(NCC(C)C)c2cnn(CCNC(=O)c3c(F)cccc3F)c2n1 8942512 FXJSQANBOLWWDX-UHFFFAOYSA-N 420.489 3.324 0 40 HGAB CCn1c(SCC(=O)Nc2ccccc2N2CCCC2=O)nnc1-c1ccco1 9376805 DDZGVSNKOFXBKG-UHFFFAOYSA-N 411.487 3.416 0 40 HGAB CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN1CCC[C@@H]1c1ccc2c(c1)OCCCO2 9579247 RXDYZRXTYFRVEF-FGZHOGPDSA-N 422.525 3.301 0 40 HGAB Cc1ccc(N(CCCC(=O)NCCSCc2ccco2)S(C)(=O)=O)cc1C 10687569 KBYVAWIMJFCQJT-UHFFFAOYSA-N 424.588 3.492 0 40 HGAB CC(C)c1cc(C(=O)N2CCC[C@@H](c3cc(C(F)(F)F)n4ncnc4n3)C2)[nH]n1 12126586 QAJTXMFHPHHYQD-LLVKDONJSA-N 407.400 3.009 0 40 HGAB CCC(=O)N1CCCc2cc(NS(=O)(=O)c3ccc(NC(C)=O)cc3C)ccc21 12180387 BMXNFHJJUUILRE-UHFFFAOYSA-N 415.515 3.443 0 40 HGAB O=S(=O)(Nc1ccc(N2CCCS2(=O)=O)cc1)c1cccc(Cl)c1Cl 12653190 VDXBUGIRAUUETB-UHFFFAOYSA-N 421.327 3.334 0 40 HGAB COC(=O)CC[C@@H](NC(=O)[C@@H](Sc1ccccc1)c1ccccc1)C(=O)OC 12804124 HBVXVZIOZGLCKJ-MJGOQNOKSA-N 401.484 3.131 0 40 HGAB O=C(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)NCCSCc1ccccc1Cl 13688744 HKVKYKLRPNWTCY-IYBDPMFKSA-N 406.935 3.031 0 40 HGAB COC(=O)c1ccc(NC(=O)[C@H]2CCCN(C(=O)c3ccc4cc[nH]c4c3)C2)cc1 13691254 SJZQBCYYEXVSCP-SFHVURJKSA-N 405.454 3.445 0 40 HGAB C[C@H](Oc1ccccc1Cl)C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 13709827 FNQLVKJIDXDDRH-HNNXBMFYSA-N 402.878 3.180 0 40 HGAB COc1ccc(OC)c([C@H]2CCCN2[C@@H](C(=O)N2CCOCC2)c2ccccc2)c1 14066625 AMTVJXRHFUKFRC-FYYLOGMGSA-N 410.514 3.441 0 40 HGAB COc1ccccc1-c1noc(CSc2nnc(Cc3ccccc3F)n2N)n1 14076945 VBEKGANDYZYEIW-UHFFFAOYSA-N 412.450 3.073 0 40 HGAB CCOc1ccc(NC(=O)CN2C(=O)[C@H](C)N(c3ccc(C)cc3)C2=O)cc1OC 15137954 CFSXRDXCBKZJRM-HNNXBMFYSA-N 411.458 3.198 0 40 HGAB COc1cccc(CNC(=O)C[C@H]2CCCCN2S(=O)(=O)c2cccs2)c1 15391340 QNRFFZLBZIELIF-MRXNPFEDSA-N 408.545 3.006 0 40 HGAB Cc1ccc(N2C(=O)[C@@H](C)NC2=S)cc1S(=O)(=O)Nc1ccccc1Cl 15569900 UIABAWXKQVYLJS-LLVKDONJSA-N 409.920 3.059 0 40 HGAB O=C(CCS(=O)(=O)c1ccc(Cl)cc1)Nc1ccccc1C(=O)NC1CC1 16015674 ZAMABFHZOSKRFX-UHFFFAOYSA-N 406.891 3.035 0 40 HGAB O=C(/C=C/c1ccc(Cl)cc1)NC(=S)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 16031128 HLARKQDFTHYYRL-VKFONMJVSA-N 413.930 3.035 0 40 HGAB biogenic CCn1c(SCC(=O)NCCc2ccccc2)nnc1-c1cccc(N(C)C)c1 17088338 MOVPEFBHUJWQDG-UHFFFAOYSA-N 409.559 3.482 0 40 HGAB COc1ccc(O)c(NC(=S)NC(=O)c2ccc(OC)c(Br)c2)c1 17088761 SFGZAHUQCLZYNW-UHFFFAOYSA-N 411.277 3.299 0 40 HGAB CC(=O)c1cccc(NC(=O)C[C@H]2SC(c3cc4ccccc4oc3=O)=NC2=O)c1 18992454 JBDZTHUJFPEIGC-GOSISDBHSA-N 420.446 3.413 0 40 HGAB Cc1nc(C)n(C[C@H](C)C(=O)N2CCc3onc(Nc4c(C)cccc4C)c3C2)n1 19235747 HFAXNVOTWGEZMH-HNNXBMFYSA-N 408.506 3.464 0 40 HGAB CCc1nc2ccccc2c(=O)n1CC1(O)CCN(Cc2cc(C)ccc2OC)CC1 19523234 UROYNDRMAVFSKV-UHFFFAOYSA-N 421.541 3.303 0 40 HGAB O=C(Nc1ccc(N2CCCS2(=O)=O)cc1)c1ccc2[nH]c(C(F)(F)F)nc2c1 19654753 GPKYSRBLEDLAHB-UHFFFAOYSA-N 424.404 3.374 0 40 HGAB Cc1cn2c(=O)c(C(=O)NCc3cccc(CN4CCCCCC4)c3)cnc2s1 19660218 CZTQEMAKHFTTDP-UHFFFAOYSA-N 410.543 3.370 0 40 HGAB Cc1nn(C)cc1C(=O)N1CCC[C@@H](c2nc(N(C)C)ncc2-c2ccccc2F)C1 19694061 GBPVUXCQYJTJFV-MRXNPFEDSA-N 422.508 3.410 0 40 HGAB CNc1nc([C@@H]2CCCN2)nc2c1CN(C(=O)CCc1nc3ccccc3s1)CC2 19710814 VUUPYZBTVPWHHV-KRWDZBQOSA-N 422.558 3.070 0 40 HGAB C[C@@H]1Cc2ccccc2N1C(=O)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1 20043961 HLEWXNUQCHNUES-MRXNPFEDSA-N 416.518 3.345 0 40 HGAB O=C(COc1ccc2ccccc2c1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 21959846 RWDIUALZDRMYHU-UHFFFAOYSA-N 402.494 3.498 0 40 HGAB CCS(=O)(=O)N(C)c1cc(OC)c(OC)cc1C(=O)Nc1cc(C)ccc1OC 22252809 XKSHHWSWRFWBSV-UHFFFAOYSA-N 422.503 3.059 0 40 HGAB COc1cccc(CCCNC(=O)CN(c2ccccc2C(C)C)S(C)(=O)=O)c1 22401199 AEIJPTUXAHNYCW-UHFFFAOYSA-N 418.559 3.334 0 40 HGAB Cc1cccc(NC(=O)C[C@@H]2C(=O)N(C[C@H]3CCCO3)c3nc4ccccc4n32)c1 23382127 SNZBZXDODVTAOT-YLJYHZDGSA-N 404.470 3.440 0 40 HGAB COc1ccc([C@@H]2CCCN2CC(=O)N2CCN(Cc3ccccc3)CC2)c(OC)c1 24241685 NBOKOZFDVXBYLH-QHCPKHFHSA-N 423.557 3.185 0 40 HGAB Cc1cc(=O)c(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)nn1-c1ccc(Cl)cc1 24974618 KMLBGWLQIIRVPB-LJQANCHMSA-N 422.916 3.199 0 40 HGAB O=C(NCCCN1CCOCC1)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1 24986801 ATEWMLIXFRAERC-UHFFFAOYSA-N 414.893 3.238 0 40 HGAB CN(Cc1ccc(C(=O)NCC(F)(F)F)cc1)C(=O)CCc1ccc2c(c1)OCO2 29074512 KABUWFBEWKISBQ-UHFFFAOYSA-N 422.403 3.299 0 40 HGAB COC(=O)c1c(NC(=O)CN(C)S(=O)(=O)c2ccc(C)c(C)c2)sc(C)c1C 30865686 QHIDEWKKFFAJHG-UHFFFAOYSA-N 424.544 3.028 0 40 HGAB COc1c2c(c(NC(=O)c3cccc(Br)c3)c3c1OCO3)CCN(C)C2 32123870 GLIRLXUPXDNJOK-UHFFFAOYSA-N 419.275 3.427 0 40 HGAB biogenic O=C(NCc1ccccc1S(=O)(=O)N1CCCCC1)N[C@H]1CCCc2occc21 32803503 MBKFLNGCSZNDDX-SFHVURJKSA-N 417.531 3.331 0 40 HGAB COc1cc(NS(=O)(=O)c2ccc(F)cc2)ccc1NC(=O)c1cccnc1 32833727 BIIXUERGENSTCO-UHFFFAOYSA-N 401.419 3.282 0 40 HGAB CCOc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3cccc(CC)c3)[nH]n2)cc1 32984967 WMGMQAPKPIJJKT-UHFFFAOYSA-N 414.487 3.424 0 40 HGAB CCOc1cc(/C=C2/N=C(C)OC2=O)cc(I)c1OCC 33784308 RCGVQPHDWIHASB-KPKJPENVSA-N 401.200 3.405 0 40 HGAB CCCn1c(CCC(=O)N[C@@H](C)CC)nc2cc(S(=O)(=O)N3CCCC3)ccc21 36264178 UNUANWZSEDCHEL-INIZCTEOSA-N 420.579 3.078 0 40 HGAB O=C(NCCC(=O)N1CCC(CN2CCCCCC2)CC1)c1ccc(F)cc1F 45832498 HPQSGTNGJFBTHV-UHFFFAOYSA-N 407.505 3.199 0 40 HGAB COc1cc(S(=O)(=O)n2c(C)nc3ccccc32)c(OC)cc1Br 48044456 RSBQKAGPSGFVGN-UHFFFAOYSA-N 411.277 3.361 0 40 HGAB O=c1c(=O)n(-c2ccccc2)ccn1Cc1nc(-c2cccc(C(F)(F)F)c2)no1 49407686 QJGXJMQBPXHLMC-UHFFFAOYSA-N 414.343 3.116 0 40 HGAB COc1ccc(OC)c(-n2cc(C(=O)O)c3c2[C@@H](c2ccc(O)cc2)CC(=O)N3)c1 49543410 FQFPKNVRCAWAOP-OAHLLOKOSA-N 408.410 3.372 0 40 HGAB biogenic COc1ccccc1CNC(=O)c1nnn(-c2ccc(Br)cc2)c1C 51317973 XWZSYBPMTOHZRG-UHFFFAOYSA-N 401.264 3.277 0 40 HGAB C[C@H]1C[C@@H](C)CN(Cc2ccccc2CNC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)C1 58144085 ZTFOQFMVYLFUOG-XQBPLPMBSA-N 423.557 3.422 0 40 HGAB CCc1ccc(-n2c(O)nc3nc(NCc4ccc(F)cc4F)ncc3c2=O)cc1 67263578 FUTGSRYIYUNGOR-UHFFFAOYSA-N 409.396 3.334 0 40 HGAB CC(C)OCCOC[C@@H](O)CN(C)C(=O)CCc1ncc(-c2ccccc2Cl)o1 72310425 CKFJTSXWHITNNJ-INIZCTEOSA-N 424.925 3.189 0 40 HGAB CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)OC(=O)c1cc(=O)c2c(C)nn(C)c2[nH]1 72312532 GPAJIFLDZGKZDF-OCCSQVGLSA-N 410.474 3.268 0 40 HGAB CCn1c(=O)c(=O)[nH]c2cc(C(=O)Nc3cccc(CCC(F)(F)F)c3)ccc21 79057114 KIEKOLXHCCEXKP-UHFFFAOYSA-N 405.376 3.457 0 40 HGAB Cc1cc(C(=O)CN2CCC(NC(=O)c3ccccc3)CC2)c(C)n1C[C@H]1CCCO1 84079634 AUIKJZXWOUUSMP-JOCHJYFZSA-N 423.557 3.361 0 40 HGAB Cc1ccc(C(=O)NCCC(=O)N2CCN(C(=O)c3ccc(C)cc3C)CC2)c(C)c1 95451339 HAEHXDBQBWEVDH-UHFFFAOYSA-N 421.541 3.025 0 40 HGAB Cc1ccccc1Oc1ccc(S(=O)(=O)N2CCC(N3CC[C@@H](O)C3)CC2)cc1 96099731 VZHLSWBFNZQAMU-LJQANCHMSA-N 416.543 3.007 0 40 HGAB COc1ccc(-c2nnc(S[C@H](C)C(=O)NC(N)=O)n2[C@H]2CCCC[C@H]2C)cc1 102301278 UKMCIDOUMJMTMF-IOASZLSFSA-N 417.535 3.380 0 40 HGAB CCOc1ccccc1CNC(=O)[C@@H](CC)N(c1ccccc1F)S(C)(=O)=O 113967514 URZADHLARZNSQN-QGZVFWFLSA-N 408.495 3.085 0 40 HGAB CC(C)Oc1cccc(CNC(=O)CCCN(c2ccccc2)S(C)(=O)=O)c1 219166249 HDBHGIWKYMCVDT-UHFFFAOYSA-N 404.532 3.336 0 40 HGAB CCOC(=O)c1ccc(C)c(NC(=O)CCCN(C)S(=O)(=O)c2ccccc2)c1 219722820 JNRAYJCWNLMNBQ-UHFFFAOYSA-N 418.515 3.211 0 40 HGAB CS(=O)(=O)N(CC(=O)NCc1ccc2ccccc2c1)c1ccc(F)cc1F 222805616 BGZIBCVVRXCZDG-UHFFFAOYSA-N 404.438 3.200 0 40 HGAB CCn1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCC(=O)OC)c1C 223719415 XTIKFCBTIVOSRR-UXHICEINSA-N 400.548 3.446 0 40 HGAB COC(=O)c1cc(S(=O)(=O)Nc2cc(C(=O)OC(C)C)ccc2OC)ccc1C 223825290 QSFIPVPUMAXLEW-UHFFFAOYSA-N 421.471 3.156 0 40 HGAB O=C(O)CSc1nnc(COc2ccc(Cl)cc2)n1-c1ccc2c(c1)OCO2 226819482 KXPOAHFFIMBHJC-UHFFFAOYSA-N 419.846 3.405 0 40 HGAB COc1ccc(F)cc1COC(=O)[C@H](CC(C)C)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 245228278 MVXLQTOTPAETMK-KURKYZTESA-N 403.450 3.243 0 40 HGAB COc1cccc([C@]2(O)CCC[C@H]3CN(C(=O)c4ccc(-n5cnnc5)cc4)C[C@H]32)c1 248244719 LHIGPQKPJOLXIY-KUWBRRTOSA-N 418.497 3.036 0 40 HGAB CC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3N(C(=O)Cn1cc(C)cn1)[C@H]2Cc1ccccc1 257204485 AUVDURKALVGBBM-WHGMEAMLSA-N 420.557 3.193 0 40 HGAB NC(=O)C[C@]1(COc2cccc(Cl)c2)CN(Cc2ccc3cc[nH]c3c2)CCO1 257314199 UVTCQEGJFPKFPU-JOCHJYFZSA-N 413.905 3.347 0 40 HGAB COc1ccc(NC(=O)[C@]23C[C@H]2CN(c2ccccc2)S3(=O)=O)c2ccccc12 260830678 GSXIBFMYZBZCGK-NYHFZMIOSA-N 408.479 3.396 0 40 HGAB CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@@H](C)CC)C2)cc1Cl 408626228 VDCJBQGYIJGMEN-KBPBESRZSA-N 402.944 3.054 0 40 HGAB CN(Cc1ccccc1)S(=O)(=O)c1ccc(OCC(=O)NCc2ccccc2)cc1 409324066 QVLGMUWSBGXNSK-UHFFFAOYSA-N 424.522 3.203 0 40 HGAB CCc1ccccc1NC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1C 409393362 VVFKADSVPROLJM-UHFFFAOYSA-N 402.516 3.359 0 40 HGAB O=C(c1noc2c1CCCC2)N1CC[C@H](c2ccccc2Cl)S(=O)(=O)CC1 575414702 JLHRHVCIODSVOM-QGZVFWFLSA-N 408.907 3.209 0 40 HGAB COc1ccc(N2C[C@@H](C(=O)NCc3nc4ccccc4n3C(C)C)CC2=O)cc1 605394869 KOEXPJKLCFPXBZ-INIZCTEOSA-N 406.486 3.295 0 40 HGAB COc1ccc([C@@H](C)NC(=O)Nc2ccc(-n3nccn3)nc2)c(Br)c1 1562207286 JGZPGWRVFWWROJ-LLVKDONJSA-N 417.267 3.316 0 40 HGAB Cn1cc(CNC2CCN([C@H]3CCCC[C@@H]3O)CC2)c(-c2cc(F)ccc2F)n1 1650762996 ASENRJGGZFNDNR-SFTDATJTSA-N 404.505 3.223 0 40 HGAB Cc1cccc(C[C@H](CO)NC(=O)NCc2cc(-c3ccc(F)cc3F)on2)c1 1687484688 INFOYBKNZJFBGF-QGZVFWFLSA-N 401.413 3.331 0 40 HGAB Cc1ncn(CC(=O)N2CCC(c3ccc4cc(C5CC5)cnc4n3)CC2)c(=O)c1C 1890411824 UNWQMNGWDSLQAK-UHFFFAOYSA-N 417.513 3.087 0 40 HGAB Cc1cc(S(=O)(=O)N2CC3(C[C@@H](N4CCCC4)CS3)C2)c(C)cc1Cl 2056224705 QLPGGTXJMBONDU-OAHLLOKOSA-N 400.997 3.301 0 40 HGAB CO[C@@H](C)C(=O)Oc1ccc(-c2ccc(F)cc2F)cc1C(=O)O[C@@H](C)C(=O)O 2060993544 JXBUFIOIVJRDJD-QWRGUYRKSA-N 408.353 3.202 0 40 HGAB CCc1c(-c2ccccc2)n(-c2ccc(C)cc2)c2nc3c(c(=O)n(C)c(=O)n3C)n12 719717 XUYYIZMDKIKTHW-UHFFFAOYSA-N 413.481 3.213 0 40 HGAB COc1ccc(NC(=O)C[C@H]2C(=O)N(C)C(=S)N2Cc2ccc(Cl)cc2)cc1 1307738 JZOJBZWVZQHKSR-KRWDZBQOSA-N 417.918 3.305 0 40 HGAB CCCCc1cc(=O)oc2cc(C)cc(OCC(=O)N3CCC(C(=O)O)CC3)c12 2123226 AOSOHBROROWIHR-UHFFFAOYSA-N 401.459 3.146 0 40 HGAB biogenic O=C(COC(=O)CCc1nc2ccccc2s1)NC(=O)c1ccc(Cl)cc1 2637792 LAXIKFQGWZEUBR-UHFFFAOYSA-N 402.859 3.382 0 40 HGAB Cc1ccc(-n2c(SCC(=O)N3CCCCC3)nc3c(c2=O)SCC3)cc1 2719730 WYLIEBNUYRDUMQ-UHFFFAOYSA-N 401.557 3.294 0 40 HGAB COc1ccc(Cn2c(SCC(=O)N3CCCC3)nc3ccsc3c2=O)cc1 2908671 KUPOPDGKBSGTDF-UHFFFAOYSA-N 415.540 3.229 0 40 HGAB Cc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)NCCC(C)C)cc1 3190306 SWEJOQYAAPIFHD-NRFANRHFSA-N 400.544 3.273 0 40 HGAB O=C1c2ccccc2C(=O)N1CSc1nc2ccccc2c(=O)n1Cc1ccco1 3372233 KLCQANSERSZLCT-UHFFFAOYSA-N 417.446 3.384 0 40 HGAB CCCCn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccc(OC)cc1)N1CCCCCC1=N2 3426066 RYDLVLYZMASOMD-HXUWFJFHSA-N 410.518 3.365 0 40 HGAB CCOc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCOC)cc1 3493644 PGTLPFOKFSWDDV-UHFFFAOYSA-N 413.499 3.172 0 40 HGAB CCCCOc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCN(C(C)=O)C3)cc1 4280379 FPYMIVADKDALBT-UHFFFAOYSA-N 415.515 3.183 0 40 HGAB COc1ccccc1NC(=O)Cn1nc(-c2ccc(Br)cc2)ccc1=O 5398013 RBHYGALOQREVQI-UHFFFAOYSA-N 414.259 3.320 0 40 HGAB Cc1nn(-c2ccccc2)c(C)c1C(=O)OCc1nc(N)nc(Nc2ccccc2)n1 5702384 FAYVXHKSAHRIGI-UHFFFAOYSA-N 415.457 3.357 0 40 HGAB CCOc1ccc(CCN2CN(CCO)c3nc4ccccc4n3C2)cc1OCC 6590338 AGSJYKNNCTVOAZ-UHFFFAOYSA-N 410.518 3.106 0 40 HGAB COc1ccccc1[C@H](C)NC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1 6602519 QOKDYDAUXLGLQN-HNNXBMFYSA-N 414.483 3.258 0 40 HGAB Cc1ccc(OCC(=O)Nc2ccc3c(c2)nc(CCn2ccccc2=O)n3C)cc1 6665220 KYTORDMFJMIXFW-UHFFFAOYSA-N 416.481 3.304 0 40 HGAB Cc1cc(C)cc(C(=O)N(CC(C)C)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)c1 6788780 BPYPJVLSIAVNTQ-UHFFFAOYSA-N 420.513 3.087 0 40 HGAB CN(C)C(=O)[C@@H](OC(=O)Cn1c(C(F)(F)F)nc2ccccc21)c1ccccc1 6931992 IIDUYVMLWCPHNU-KRWDZBQOSA-N 405.376 3.428 0 40 HGAB CCNC(=O)[C@H](C)OC(=O)c1ccc(COc2ccc3c(C)cc(=O)oc3c2)cc1 7088528 AZSDJYLZTBMZET-HNNXBMFYSA-N 409.438 3.362 0 40 HGAB COc1ccc(-n2ccnc2S[C@@H](C)C(=O)Nc2sccc2C(N)=O)cc1 7178421 PCIYDQUUHKXNSO-NSHDSACASA-N 402.501 3.161 0 40 HGAB COc1ccc(CCNC(=O)Cn2cnc3scc(-c4ccccc4)c3c2=O)cc1 7313345 LLNBEROIEJEHOG-UHFFFAOYSA-N 419.506 3.493 0 40 HGAB O=C(Nc1ccc2nc(N3CCOCC3)sc2c1)c1cc(=O)[nH]c2ccccc12 8345451 LRBFXAHXTZKROM-UHFFFAOYSA-N 406.467 3.227 0 40 HGAB CCOc1ccc(OCCCC(=O)N(CCC(N)=O)c2ccccc2OC)cc1 8769734 NDEMHUFSGWANSA-UHFFFAOYSA-N 400.475 3.162 0 40 HGAB CNC(=O)[C@@H]1CN(C(=O)C2c3ccccc3Oc3ccccc32)c2ccccc2O1 8882030 NIMPJZYWBDAWEY-NRFANRHFSA-N 400.434 3.464 0 40 HGAB Cc1cccc(N2C[C@H](C(=O)OCC(=O)Nc3cccc(Cl)c3)CC2=O)c1C 9594259 XYYOEHVCADNDIN-OAHLLOKOSA-N 400.862 3.492 0 40 HGAB Cc1ccc(CCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)cc1 10744216 GEDOVQIDIYNMRZ-UHFFFAOYSA-N 412.964 3.176 0 40 HGAB COc1ccc2[nH]c3c(c2c1)CCN1C(=O)N(c2cccc4c2OCCO4)C(=O)[C@]31C 11692303 ZYGLZFGWRIHOGN-QHCPKHFHSA-N 419.437 3.188 0 40 HGAB CCN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)Nc2cc(C)nn2C)cc1 11694287 FJZIMASBOVETPF-UHFFFAOYSA-N 404.536 3.324 0 40 HGAB COc1ccc(Cl)cc1C(=O)NCCNc1ccc(Nc2cc(C)ccn2)nn1 11696767 PBFALDKTFAKKBA-UHFFFAOYSA-N 412.881 3.428 0 40 HGAB Cc1ccc(OCC(=O)Nc2ccc3c(c2)COC3=O)c(-n2nc3ccccc3n2)c1 12447396 JREDEVAFDOTUTJ-UHFFFAOYSA-N 414.421 3.417 0 40 HGAB Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2)nc(C)n1 12604816 WMOCWYLYUUWDMU-UHFFFAOYSA-N 418.425 3.425 0 40 HGAB O=C1O[C@@H](N2C(=O)CC[C@H]2C(=O)Nc2ccc(OC(F)(F)F)cc2)c2ccccc21 12661800 HYVKOTHXSVXPKJ-MAUKXSAKSA-N 420.343 3.384 0 40 HGAB biogenic COC(=O)C1=C(C)N(c2ccc(C(=O)O)cc2)C(=O)N[C@@H]1c1ccc(F)cc1F 12851913 QJCPEJDNSSUEKC-QGZVFWFLSA-N 402.353 3.381 0 40 HGAB COC(=O)c1ccc(OC(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)cc1 13141552 SDJJDTNNYDDODE-UHFFFAOYSA-N 405.362 3.082 0 40 HGAB O=C(COc1ccc2c(c1)OCO2)Nc1ccc(-c2ccc(N3CCCC3)nn2)cc1 13608327 MEYPXCJDMRWNLM-UHFFFAOYSA-N 418.453 3.490 0 40 HGAB C[C@@H](Oc1ccc(Br)cc1)C(=O)NCCc1ccc2c(c1)OCCO2 14226459 FEXYQEXFTMZUAM-CYBMUJFWSA-N 406.276 3.347 0 40 HGAB Cc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cc1 14235269 VAAAASAZRWBEHZ-HXUWFJFHSA-N 423.538 3.166 0 40 HGAB C[C@H]1CS(=O)(=O)N(c2ccc(C(=O)Nc3ccccc3Br)cc2)C1=O 15843037 BRYDMDIFEZORLL-NSHDSACASA-N 423.288 3.014 0 40 HGAB Cc1cc(N2CCCC2)ccc1NC(=O)CN1C(=O)N[C@](C)(c2ccccc2)C1=O 15951967 AXXJWAAIEXKHRJ-HSZRJFAPSA-N 406.486 3.001 0 40 HGAB CCOC(=O)c1c(NC(=O)Cn2nc(-c3cccs3)oc2=O)sc(C)c1CC 16461936 DVTZOHOIEJGDML-UHFFFAOYSA-N 421.500 3.313 0 40 HGAB COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)Nc2ccc(C(C)C)cc2)c1 16575895 KTKZKMANNFTGIS-UHFFFAOYSA-N 406.504 3.086 0 40 HGAB Cc1cc(CNC(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2C(=O)c2ccc(F)cc2)on1 19120422 VQJAQLOZIVHVNT-FGZHOGPDSA-N 421.472 3.369 0 40 HGAB Cc1cccc2cc3c(nc12)OCCN(CCCN1C(=O)c2ccccc2C1=O)C3 19236730 FTRIRJBSIMLTBR-UHFFFAOYSA-N 401.466 3.424 0 40 HGAB Cn1ccnc1-c1nn(CCNC(=O)[C@@H]2CCCCO2)cc1-c1ccc(Cl)cc1 19291539 ARMVZPDQHVDYJB-SFHVURJKSA-N 413.909 3.289 0 40 HGAB CCc1cc(C(F)(F)F)n2nc([C@H]3CCCN3C(=O)COc3cccnc3)cc2n1 19522278 VJLHFJYSJJLYRA-MRXNPFEDSA-N 419.407 3.448 0 40 HGAB CCOc1ncccc1C(=O)N1CCC[C@@H](c2nc(-c3cccs3)cc(=O)[nH]2)C1 19531413 HWFDLFBZHPLVCZ-CQSZACIVSA-N 410.499 3.312 0 40 HGAB COc1ccc(C)cc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)NCCC(C)C 20007282 SZMDLMZHDKKNIT-IBGZPJMESA-N 418.559 3.056 0 40 HGAB CCOc1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1 20898314 IQUJKZJETGRABH-UHFFFAOYSA-N 402.516 3.266 0 40 HGAB COc1ccc([C@@H]2CCCN2Cc2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 21581077 XUNFPXXHAOYLGK-QFIPXVFZSA-N 416.543 3.053 0 40 HGAB Cc1ccc(Cl)cc1NC(=O)[C@@H](C)OC(=O)c1ccc(N2CCOCC2)nc1 21592000 IHJNNHUOCWECCP-CQSZACIVSA-N 403.866 3.064 0 40 HGAB Cc1nc(C)c(CCC(=O)N[C@H](CC(=O)OC(C)C)c2ccccc2Cl)c(=O)[nH]1 22311655 LIBNEFZBSOVSHB-GOSISDBHSA-N 419.909 3.172 0 40 HGAB CCOc1cccc(N(CC(=O)N[C@H](C)c2cc(C)ccc2C)S(C)(=O)=O)c1 22400899 ODZTUSMPUSASFZ-QGZVFWFLSA-N 404.532 3.346 0 40 HGAB O=S1(=O)CC[C@@H](Cc2nnc(SCc3ccc(F)cc3Br)o2)C1 22479118 AFEWOHYKDIKHOM-VIFPVBQESA-N 421.313 3.241 0 40 HGAB COc1cccc([C@H](c2sc3ncnn3c2O)N2CCN(c3ccccc3)CC2)c1 22609873 FONXXRSVQTYLHR-LJQANCHMSA-N 421.526 3.417 0 40 HGAB Cc1ccc([C@H](CNS(=O)(=O)c2cc(C)c(C)cc2C)N2CCOCC2)cc1 23108000 YMMJEUNFYQQRLO-NRFANRHFSA-N 402.560 3.272 0 40 HGAB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)[C@H]1CCCN(C(=O)c2ccco2)C1 25322238 FNCVQGMFSNKEJD-FQEVSTJZSA-N 420.513 3.310 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCCc4ccccc43)C2)cc1 26111380 BUXMTSRUHCRASM-SFHVURJKSA-N 414.527 3.075 0 40 HGAB CC1CCN([C@@H](CNC(=O)CCn2cnc3ccccc3c2=O)c2cccs2)CC1 27574896 WKFUDRNZGGTMMH-FQEVSTJZSA-N 424.570 3.438 0 40 HGAB CC(=O)N[C@@H](C(=O)Nc1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1)C(C)C 27736706 HWWNFTRLRNOGEX-GOSISDBHSA-N 423.922 3.240 0 40 HGAB O=S1(=O)C[C@H]2N=C(SCCOc3ccccc3)N(c3ccc(F)cc3F)[C@H]2C1 32640644 ZAEHPXWIIWFJTB-AEFFLSMTSA-N 424.494 3.119 0 40 HGAB O=c1c(Cl)c(NCCc2ccc3c(c2)OCCO3)cnn1-c1nc2ccccc2[nH]1 32735900 GGUHHELEDRUDDC-UHFFFAOYSA-N 423.860 3.188 0 40 HGAB O=C([C@H]1CCCO1)N1CCN(Cc2nc(-c3ccccc3)c3ccccc3n2)CC1 32754337 AFYWGBFXNSDDPT-OAQYLSRUSA-N 402.498 3.120 0 40 HGAB C/C=C/c1ccc(OCC(=O)Nc2cccc(-n3ccc(C(N)=O)n3)c2)c(OC)c1 32931909 AGIBOCCYSSBTGG-HWKANZROSA-N 406.442 3.030 0 40 HGAB COCCOc1ccnc(-c2noc([C@@H]3CCCN3Cc3ccc4c(c3)OCO4)n2)c1 35425089 KRCPFFCTSOAUEI-SFHVURJKSA-N 424.457 3.223 0 40 HGAB biogenic,in-vitro COc1ccccc1Nc1nnc(SCc2cc(=O)n3nc(C)sc3n2)s1 40119289 ITCGJTNIGHFBFO-UHFFFAOYSA-N 418.529 3.355 0 40 HGAB CCOc1ccc(C(=O)NCc2cc(=O)n3nc(-c4ccccc4)sc3n2)cc1 41089838 XGUFYLWAGKYCCW-UHFFFAOYSA-N 406.467 3.147 0 40 HGAB COc1ccc(OC)c2c1CN(C(=O)Nc1ccc3c(c1)OC(F)(F)O3)C[C@H]2O 43851128 MDFBVDGXDQSWDH-GFCCVEGCSA-N 408.357 3.106 0 40 HGAB CN(C)[C@H](CNS(=O)(=O)c1ccc2c(c1)OCCCO2)c1ccccc1Cl 47213434 DGRAEIRXRDKORM-QGZVFWFLSA-N 410.923 3.083 0 40 HGAB Cn1c(SCCOc2ccc3ccccc3c2)nnc1[C@H]1CCS(=O)(=O)C1 47438935 INHFSHCYPOUTPD-INIZCTEOSA-N 403.529 3.042 0 40 HGAB O=C(NCc1ccc(F)cc1)C1CCN(Cn2c(=O)oc3ccc(Cl)cc32)CC1 48279335 QYLIPAPXYAFHAK-UHFFFAOYSA-N 417.868 3.373 0 40 HGAB COC(=O)c1cn(Cc2ccc(C)cc2)nc1S(=O)(=O)N(C)c1ccc(C)cc1 49402307 AUDVLBHUBWWCBU-UHFFFAOYSA-N 413.499 3.160 0 40 HGAB COc1cccc(-c2csc3c(=O)[nH]c(N4CCC[C@@H](C(=O)NC5CC5)C4)nc23)c1 49421333 KJCDLJZFEBYDTM-CQSZACIVSA-N 424.526 3.155 0 40 HGAB CCCS(=O)(=O)N1CCc2ccc(NS(=O)(=O)/C=C/c3ccccc3)cc2C1 49511602 CKRUJCBHUQDZHL-SDNWHVSQSA-N 420.556 3.197 0 40 HGAB CS(=O)(=O)c1ccc(NC(=O)c2nn(-c3ccccc3)c3c2CCCCC3)cn1 55367580 JHMMTCDCISPMBO-UHFFFAOYSA-N 410.499 3.192 0 40 HGAB CC1CCN(CC2CCN(C(=O)CCNC(=O)c3ccc(F)cc3F)CC2)CC1 58419914 JHRZPUAIDXFXJO-UHFFFAOYSA-N 407.505 3.055 0 40 HGAB Nc1nc(SCC(=O)N2N=C3/C(=C\c4ccco4)CCC[C@H]3[C@@H]2c2ccco2)n[nH]1 61945291 MVXYVZRYAOLSFW-OUCXFHLZSA-N 424.486 3.488 0 40 HGAB Cc1nc(-c2ccccc2)n(CC(=O)Nc2cc(F)ccc2Cl)c(=O)c1CCO 67300346 PJFCYKRXMWUIJP-UHFFFAOYSA-N 415.852 3.185 0 40 HGAB CCN(CC)Cc1nnc2sc(-c3ccccc3I)nn12 71260540 NRKHNNAEJAOZKQ-UHFFFAOYSA-N 413.288 3.299 0 40 HGAB C[C@H](NCc1cnn([C@]2(C)CCS(=O)(=O)C2)c1)c1ccccc1Br 79108801 HYNKILQJRBXKIG-SUMWQHHRSA-N 412.353 3.030 0 40 HGAB CC[C@H](C)N1C(=O)c2ccccc2[C@@H](C(=O)NCCC(=O)OC)C12CCCCC2 79474378 VYUULQKCPSFQPF-JXFKEZNVSA-N 400.519 3.407 0 40 HGAB CS(=O)(=O)C[C@@H](Nc1ccc(S(=O)(=O)C(F)(F)F)cc1)c1ccccc1 95443190 IXLDPINDJYOQLY-OAHLLOKOSA-N 407.435 3.178 0 40 HGAB O=C(NCc1cccnc1)[C@H]1c2ccccc2C(=O)N(C[C@H]2CCCO2)C12CCCC2 95472560 FDSOWTJJLYPGRC-DENIHFKCSA-N 419.525 3.429 0 40 HGAB Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)c1cc(S(=O)(=O)N2CCCC2)c(C)o1 95944638 HBWMDLYBPUYTDP-CYBMUJFWSA-N 422.551 3.123 0 40 HGAB COC(=O)C[C@@H](C1=Cc2ccccc2OC1)c1c(O)nc2ccc(Cl)cn2c1=O 96115088 QEMJJXOSXGNHAS-HNNXBMFYSA-N 412.829 3.176 0 40 HGAB biogenic Cc1nc(-n2cccc2)sc1C(=O)N1CCC(S(=O)(=O)Cc2ccco2)CC1 96121825 QCTPADMVBAIXBP-UHFFFAOYSA-N 419.528 3.055 0 40 HGAB Cc1ccc(S(=O)(=O)N2CC[C@@]3(CCCN(Cc4c(C)noc4C)C3)C2)cc1 96216043 IPNUHFHEZQWMNE-OAQYLSRUSA-N 403.548 3.277 0 40 HGAB CO[C@@](C)(CNS(=O)(=O)c1ccc2c(c1)OCCCO2)c1cccc(Cl)c1 96392987 NWNRJSLBHCQISM-IBGZPJMESA-N 411.907 3.341 0 40 HGAB Cc1nn(-c2nc3ccccc3o2)c(O)c1[C@@H]1CC(=O)N(Cc2ccccc2)C1=O 101983835 HGJCWWROXOWBDR-HNNXBMFYSA-N 402.410 3.070 0 40 HGAB COc1ccc(NC(=O)C2CCC(N3C(=O)[C@H]4[C@@H]5C=C[C@H]([C@H]6C[C@H]56)[C@@H]4C3=O)CC2)cc1 102080524 WGQUNETUWVJFID-QEFXGJABSA-N 420.509 3.246 0 40 HGAB COc1cc(NC(=O)[C@@H]2[C@@H]3C=C[C@H]([C@H]4C[C@@H]43)[C@@H]2C(=O)O)c(OC)cc1Br 102093499 HNOWGZJYQOAROQ-YYZUFBCPSA-N 422.275 3.174 0 40 HGAB Cc1ccc(Cc2cnc(NC(=O)CN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)s2)cc1F 102805233 LRQGSDQUOPTAJH-HZPDHXFCSA-N 413.474 3.071 0 40 HGAB CCOC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccc(NC(C)=O)cc1 113871942 XPQOOVQRFXJZMS-UHFFFAOYSA-N 404.488 3.020 0 40 HGAB CCOc1ccccc1CNC(=O)CCCN(c1ccccc1C)S(C)(=O)=O 113966681 QXCRZTVZHBHDAS-UHFFFAOYSA-N 404.532 3.256 0 40 HGAB CC(=O)O[C@H]1C[C@H]2CCCC[C@]2(C)[C@H]2C[C@H](OC(C)=O)[C@]3(C)CCC(=O)[C@@]3(O)[C@H]12 123380667 OCASYMYIISJFFR-OAKDEQCOSA-N 406.519 3.186 0 40 HGAB COc1ccc(CCNC(=O)[C@@H](C)N(Cc2ccc(Cl)cc2)C(C)=O)cc1OC 222822588 NCAJFDLOTSPPTK-OAHLLOKOSA-N 418.921 3.453 0 40 HGAB CN([C@@H](C(=O)NCCOc1ccccc1C(C)(C)C)c1ccccc1)S(C)(=O)=O 223737195 UETHHFVYQCOIQV-HXUWFJFHSA-N 418.559 3.112 0 40 HGAB CS(=O)(=O)N(CC(=O)NCc1ccc(Cl)cc1)Cc1ccccc1Cl 224090457 NPQCCOHRDBRMLX-UHFFFAOYSA-N 401.315 3.071 0 40 HGAB Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)NCCC3=CCCCC3)s2)c1 224961751 LNBUOHHZXJIVDR-UHFFFAOYSA-N 406.533 3.268 0 40 HGAB O=C(NCCSc1ncn[nH]1)[C@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 225906965 XMSXEIOKCSFTIH-ZDUSSCGKSA-N 414.362 3.232 0 40 HGAB CCOC[C@]1(C(N)=S)[C@H](c2ccc(F)cc2)[C@H]1S(=O)(=O)c1ccc(C)cc1 252514296 BUUMHSSGLPSRSN-GGPKGHCWSA-N 407.532 3.383 0 40 HGAB CNc1ncc(CN2CC3(CO[C@@H]4c5cccc(OC)c5OC(C)(C)[C@H]4C3)C2)cn1 257312251 UNAOEAIHRWYKRE-PKOBYXMFSA-N 410.518 3.278 0 40 HGAB CC(C)n1cnc([C@@H]2CN(C(=O)c3ccc(F)cc3)C[C@]23CCN(CC2CC2)C3=O)c1 306134784 NYELOIWEQSIPDP-GBXCKJPGSA-N 424.520 3.471 0 40 HGAB CC(C)S(=O)(=O)c1ccc(CC(=O)NC2(c3cccs3)CCOCC2)cc1 390827655 IOAHQAZGTHNFGE-UHFFFAOYSA-N 407.557 3.295 0 40 HGAB COc1ccc(NC(=O)c2cccc(NC(=O)[C@H]3[C@H]4C(=O)O[C@H]5C[C@H]3C[C@@H]54)c2)cc1 408667989 QQXBZRVBWSHJNM-KHSUIZDFSA-N 406.438 3.084 0 40 HGAB CCOc1ccc(S(=O)(=O)Nc2cccc(NC(C)=O)c2)cc1NC(=O)CC 408697338 JDQXUNLPURQFGJ-UHFFFAOYSA-N 405.476 3.193 0 40 HGAB O=C(N[C@@H]1C(=O)N/[N+](=C\c2ccc(F)cc2)[C@H]1c1ccccc1)c1ccc(Cl)cc1 409071085 OINGYPGZOSFFRG-ZCEBDVNOSA-O 422.867 3.495 0 40 HGAB Cc1occc1C(=O)NCC(=O)N1CCC(c2nc(-c3ccncc3)cs2)CC1 548108125 WMNUQMXXINRPCY-UHFFFAOYSA-N 410.499 3.243 0 40 HGAB CN(C)S(=O)(=O)[C@H]1CCCN(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C1 583101744 NMODYCZPTHDFSF-NSHDSACASA-N 413.849 3.247 0 40 HGAB CCN1C(=O)[C@H]2CN(c3ccc4cc(Br)cc(Cl)c4n3)CCN2C1=O 678942614 VQHXHFFAZBSGON-CYBMUJFWSA-N 423.698 3.123 0 40 HGAB COc1ccc(Br)cc1C1(NC(=O)c2nccn3cc(C)nc23)CC1 1615610108 AZVHNXXXKUSOBO-UHFFFAOYSA-N 401.264 3.228 0 40 HGAB COc1ccc(CN2CCO[C@@]3(CCCCN(c4ccccc4)C3=O)C2)c(OC)c1 2037984240 VHYCTIYRBSOTPY-DEOSSOPVSA-N 410.514 3.492 0 40 HGAB O=C([C@@H]1C[C@H]1c1ccc(Cl)cc1)N1CC[C@H]2C[C@H](CN3CCCOCC3)O[C@H]2C1 2056225570 RIYZQJUCHZKZHK-NDYOWHOSSA-N 418.965 3.172 0 40 HGAB C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1nc2cc3c(cc2s1)OCCO3 11751770 JWVHXDKFJDXUAC-JTQLQIEISA-N 417.874 3.478 0 40 HGAB COc1ccc(CCNC(=O)CSc2nncn2-c2ccccc2C)cc1OC 4510304 MYGDMOQQQMULFF-UHFFFAOYSA-N 412.515 3.044 0 40 HGAB O=C(/C=C/c1ccc2c(c1)OCCCO2)NCc1ccc(CN2CCOCC2)cc1 29716242 LTWRWQFGDIXRSA-VQHVLOKHSA-N 408.498 3.010 0 40 HGAB Cc1ccc(NC(=O)[C@H]2CCCN(c3c4c(nc5ncnn35)CCC4)C2)cc1Cl 4898179 JQQJXWNJHPHVSH-AWEZNQCLSA-N 410.909 3.430 0 40 HGAB O=C(COC(=O)CCS(=O)(=O)c1ccc2ccccc2c1)Nc1ccc(F)cc1 7940028 VYVBKYBKEKQCHL-UHFFFAOYSA-N 415.442 3.325 0 40 HGAB COC(=O)C1=C(c2ccc(Cl)cc2)NC(=S)N[C@H]1c1ccc(OC)cc1OC 105093885 PPDCTWPJADPPCK-SFHVURJKSA-N 418.902 3.460 0 40 HGAB Cc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1ccc(C(=O)NCCC(=O)O)cc1 7779686 RAJCZANEIZCEBN-UHFFFAOYSA-N 418.515 3.298 0 40 HGAB C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O 102085710 VWTCBLWPVIYTNJ-NROUSUPJSA-N 405.281 3.374 0 40 HGAB COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)NCCC(C)C 2644639 FQIZPKDYONOBLA-UHFFFAOYSA-N 402.516 3.223 0 40 HGAB COC(=O)C1=C(C(=O)OC)[C@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl 100661130 CPPKNFYFWOVESS-UWVGGRQHSA-N 414.883 3.475 0 40 HGAB COc1ccc(NC(=O)c2nc(-n3ccnc3)ncc2Br)cc1Cl 41157980 QTBMQYCCKIFIJQ-UHFFFAOYSA-N 408.643 3.339 0 40 HGAB C[C@@H](NC(=O)N[C@H](CN1CCOCC1)c1ccccc1)c1ccc(-n2ccnc2)cc1 32802245 RVJJUHRMYACAOM-AUSIDOKSSA-N 419.529 3.306 0 40 HGAB Cc1ccc(CNC(=O)c2nc(S(=O)(=O)Cc3ccccc3)ncc2Cl)cc1 12062586 SMJIFKXKJGYVSZ-UHFFFAOYSA-N 415.902 3.342 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1C(=O)N1CCCCC1 10449615 XULWCEGGJPQYIW-UHFFFAOYSA-N 414.527 3.463 0 40 HGAB CCOc1cc([C@H]2N=C(Nc3ccc(F)cc3)Nc3nc(C)cc(=O)n32)ccc1O 8570268 MWKZBZDWLOANKB-IBGZPJMESA-N 409.421 3.236 0 40 HGAB Cc1nn(C)cc1[C@H](C)NC(=O)[C@H](C)n1nc(C(F)F)c(Br)c1C 2780449 LYIUBPPBLUSKCC-XVKPBYJWSA-N 404.259 3.372 0 40 HGAB Cc1c(Br)c(C(F)F)nn1[C@@H](C)C(=O)NCCn1cc(Cl)cn1 2782280 TWUGUKNHJJNRCR-QMMMGPOBSA-N 410.650 3.119 0 40 HGAB CC[C@H](OC[C@H](O)CN1CCN(Cc2ccc3c(c2)OCO3)CC1)c1ccccc1 22870633 BURKISBUYAVOCA-YADHBBJMSA-N 412.530 3.062 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCCN(C)c1ccccc1 53207836 JAGZAXQYEMXOJD-UHFFFAOYSA-N 415.559 3.036 0 40 HGAB O=C(NC1CCCCCC1)c1cc(-c2cccs2)n([C@H]2CCS(=O)(=O)C2)n1 33325418 CMTUWYATOHWMHN-HNNXBMFYSA-N 407.561 3.424 0 40 HGAB COc1ccc(N([C@H](C)C(=O)N(C)C2CCCCC2)S(C)(=O)=O)cc1Cl 20046378 AOTIWHBHNUQVHR-CYBMUJFWSA-N 402.944 3.294 0 40 HGAB CCOc1cccc([C@@H]2C(C(=O)Nc3ccccc3OC)=C(C)Nc3nnnn32)c1 936930 OPHDCHDDKUAZBC-LJQANCHMSA-N 406.446 3.008 0 40 HGAB Cc1cccc2nc(C(=O)N(C)CC(=O)Nc3ccc(OC(F)(F)F)cc3)cn12 23538688 BWXGDMXWFLSJHN-UHFFFAOYSA-N 406.364 3.252 0 40 HGAB COc1ccc(OC)c(N2C[C@@H](C(=O)Nc3cnc(-c4ccccc4)nc3)CC2=O)c1 58154084 DYXIYMZRLIOTEX-INIZCTEOSA-N 418.453 3.152 0 40 HGAB O=C(CN1C(=O)S/C(=C\c2ccccc2F)C1=O)Nc1ccc(C(=O)O)cc1 1286747 OJIITUYAUKOAHA-DHDCSXOGSA-N 400.387 3.199 0 40 HGAB CCn1c(C)cc(C(=O)Cn2c(C[C@@H]3CCS(=O)(=O)C3)nc3ccccc32)c1C 12525120 MWOKWQLJLNPIMD-KRWDZBQOSA-N 413.543 3.335 0 40 HGAB CC(C)c1ccc(-n2ncc3c(=O)n(CC(=O)Nc4ccccc4F)cnc32)cc1 57486505 JZHNSWJPWIGVLM-UHFFFAOYSA-N 405.433 3.483 0 40 HGAB Cc1ccc(N2CCN(C(=O)[C@H]3CC(=O)N(c4ccc(F)c(Cl)c4)C3)CC2)cc1 57416664 QLWGLZRKMPKSCB-INIZCTEOSA-N 415.896 3.489 0 40 HGAB CC(=O)N1N=C(c2ccc(NS(C)(=O)=O)cc2)C[C@@H]1c1ccc2ncccc2c1 58161650 DXBLMVGPLPHUAZ-OAQYLSRUSA-N 408.483 3.304 0 40 HGAB O=C(c1ccc(C[S@](=O)Cc2nc(Cc3ccccc3)no2)cc1)N1CCCC1 58157323 IBCLKYQADZTJLZ-GDLZYMKVSA-N 409.511 3.345 0 40 HGAB COc1ccc(NC(=O)[C@H](C)OC(=O)c2csc(-c3ccccn3)n2)cc1OC 58161269 LUYIAVUKCNJZDD-LBPRGKRZSA-N 413.455 3.406 0 40 HGAB Cc1c(CC(=O)N2CCC(C(N)=O)CC2)c(=O)oc2cc3occ(C(C)(C)C)c3cc12 2117806 DKPLKRRIIUSSJI-UHFFFAOYSA-N 424.497 3.412 0 40 HGAB biogenic Cc1c(CCC(=O)NCC2CCC(C(=O)O)CC2)c(=O)oc2cc(O)c(Cl)cc12 2114030 HZVGPXGUCCXZIQ-UHFFFAOYSA-N 421.877 3.400 0 40 HGAB biogenic Cc1ccc(N2CCN([C@H](C(=O)O)c3cn(C)c4ccc(C(=O)O)cc34)CC2)c(C)c1 36360900 JMWIKORZJCBYCP-QFIPXVFZSA-N 421.497 3.441 0 40 HGAB C[C@@H]1CCCN(Cc2ccccc2CNC(=O)Cn2cccc(C(F)(F)F)c2=O)C1 36390729 IMRUZDXJRLHIMC-MRXNPFEDSA-N 421.463 3.415 0 40 HGAB CC(C)OCCCN1CN(S(=O)(=O)c2ccccc2)c2nc3ccccc3nc21 2367205 IPCOBFCCYGVYGO-UHFFFAOYSA-N 412.515 3.418 0 40 HGAB CC[C@H](NC(=O)c1cc(S(N)(=O)=O)ccc1C)c1ccc(Br)cc1 12793047 SSPUHQRCISVACL-INIZCTEOSA-N 411.321 3.286 0 40 HGAB COc1ccc(C(=O)N2c3ccccc3CC[C@@H]2C)cc1S(=O)(=O)N1CCCC1 12771535 QOEVUOCLENLYJY-INIZCTEOSA-N 414.527 3.461 0 40 HGAB Cc1ccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)Nc2cccc(Cl)c2)cc1 8559850 MTMJTUOYVJAKET-QGZVFWFLSA-N 400.866 3.010 0 40 HGAB O=C(OCCSc1nc(CN2CCOCC2)nc2ccccc12)c1ccccc1 12865011 AQKAKRRRPCQCOQ-UHFFFAOYSA-N 409.511 3.411 0 40 HGAB COc1ccccc1[C@@H](CNC(=O)c1ccc(N2CCCC2=O)cc1)N1CCCC1 8134023 BTCMKZGIULGOEG-OAQYLSRUSA-N 407.514 3.389 0 40 HGAB C[C@H](C(=O)Nc1ccc(NC(=O)c2cccnc2N2CCCCC2)cc1)n1cncn1 49682588 DSNPADJMRXTTSD-MRXNPFEDSA-N 419.489 3.115 0 40 HGAB COC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)C1=O 409068416 AMNBPJJCTFTSEN-CNOAHFENSA-N 401.396 3.243 0 40 HGAB C[C@@H](Sc1nnc(-c2ccco2)n1C)C(=O)Nc1ccc(N2CCOCC2)cc1 5364001 CNUDXNWBWHCTAU-CQSZACIVSA-N 413.503 3.031 0 40 HGAB COc1ccc(Br)cc1S(=O)(=O)N(C)CCOc1ccccc1F 14185936 AQGNZZWCKFRNJK-UHFFFAOYSA-N 418.284 3.296 0 40 HGAB COc1ccc(OC)c(S(=O)(=O)NCc2ccccc2CN2CCCCC2)c1 14189629 AVUVSEFUFATMAL-UHFFFAOYSA-N 404.532 3.168 0 40 HGAB COc1ccc(Nc2nc(COC(=O)c3ccc(-n4cnnn4)cc3)cs2)cc1 6534581 MNKLUNROQMXREY-UHFFFAOYSA-N 408.443 3.228 0 40 HGAB CSCC[C@H](NC(=O)Cc1c(C)c2c(cc(C)c3c(C)coc32)oc1=O)C(=O)O 6624055 XMKPUMJOGOYBAJ-AWEZNQCLSA-N 417.483 3.329 0 40 HGAB biogenic COC(=O)c1ccc(-c2ccc(/C=C3/SC(=O)N([C@H](C)C(=O)OC)C3=O)o2)cc1 409096255 CZNINCSMGJVSMX-HPUUJOOBSA-N 415.423 3.331 0 40 HGAB CCc1ccc(N2C[C@@H](C)Cn3c2nc2c3c(=O)n(CCC(C)C)c(=O)n2C)cc1 8654149 ZNYXTGJCEUGMOQ-MRXNPFEDSA-N 409.534 3.293 0 40 HGAB CN(C)S(=O)(=O)c1ccc(C(=O)OCc2csc(-c3ccccc3)n2)cc1 4995898 NTXCATUGXUSSTN-UHFFFAOYSA-N 402.497 3.417 0 40 HGAB CN(C)C(=O)[C@H](Sc1nc(O)c2cnn(-c3ccccc3)c2n1)c1ccccc1 6930407 WCFNGSPYJNETNS-QGZVFWFLSA-N 405.483 3.443 0 40 HGAB O=C(CN1C[C@@H](C(=O)N2CCCCC2)Oc2ccccc21)Nc1ccc(F)cc1F 7251803 GEXZYFVHWYHXFJ-FQEVSTJZSA-N 415.440 3.183 0 40 HGAB O=C(CCn1cnc2ccccc2c1=O)N1CCC(c2nc3ccccc3[nH]2)CC1 9060098 LMQPCAHWKZXSQE-UHFFFAOYSA-N 401.470 3.069 0 40 HGAB Cc1c(-c2ccccc2)oc2c(C(=O)N(C)[C@@H]3CCS(=O)(=O)C3)cccc2c1=O 9183956 KQVUGKQXXICLMY-MRXNPFEDSA-N 411.479 3.028 0 40 HGAB COC(=O)CN1C(=O)/C(=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)NC1=S 409203366 WSGKGXLGMLGZLN-JYRVWZFOSA-N 410.373 3.196 0 40 HGAB CCOC(=O)COc1ccccc1[C@H]1C(C(=O)OCC)=CSc2[nH]c(=O)sc21 96318936 HNBBLXRQMATNFD-HNNXBMFYSA-N 421.496 3.063 0 40 HGAB Cc1cc(C(=O)CSc2ncnc3sccc23)c(C)n1[C@@H]1CCS(=O)(=O)C1 9643323 CIOGFNABPCTGHB-CYBMUJFWSA-N 421.569 3.444 0 40 HGAB CC(=O)N1CCC(CN[C@H](Cc2ccccc2)[C@@H](C)NC(=O)OC(C)(C)C)CC1 95432504 SUWVARXENIZMGT-DYESRHJHSA-N 403.567 3.359 0 40 HGAB Cc1ccc(NC(=O)N2CCOCC[C@H]2C)cc1NC(=O)N1CCOCC[C@@H]1C 95459966 ITAZBQWOZXOUCK-SJORKVTESA-N 404.511 3.280 0 40 HGAB COc1ccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3cccc(C)c3)[C@H]2c2ccccc2)cc1 409059433 NFZLFGAHROXXHS-HFXBMHRVSA-O 414.485 3.020 0 40 HGAB CCCn1nccc1CNC(=O)c1cc(-c2ccc(OC)cc2)nc2c1c(C)nn2C 36615830 BVVNMIDPXHVDTK-UHFFFAOYSA-N 418.501 3.489 0 40 HGAB CCN(CC)[C@H]1CCN(c2nc(C3CC3)cc(N3CC[C@@H](N(CC)CC)C3)n2)C1 553398513 FLNQPJMGHOFIHL-UXHICEINSA-N 400.615 3.195 0 40 HGAB CCS(=O)(=O)N1CCC[C@H](c2nc3ccc(-c4cc(F)ccc4OC)cn3n2)C1 306131495 KGMVPBOSPKHBPX-HNNXBMFYSA-N 418.494 3.073 0 40 HGAB O=C(NCCN1CCCS1(=O)=O)c1ccccc1-c1ccc(C(F)(F)F)cc1 72049240 LGCQWJDMBVJPFR-UHFFFAOYSA-N 412.433 3.138 0 40 HGAB COc1cc(C(=O)N2CC(=O)Nc3cc(C(F)(F)F)ccc32)cc(OC)c1OC 32735957 MCMCOMHDTIRQJM-UHFFFAOYSA-N 410.348 3.330 0 40 HGAB CCC(CC)CN(CC(=O)OC)S(=O)(=O)c1cc(Br)ccc1OC 32916522 FXRHDENTRYAUTG-UHFFFAOYSA-N 422.341 3.058 0 40 HGAB COc1ccc([C@@H](CNC(=O)c2ccccc2I)N(C)C)cc1 32960896 JIOSFFWLMJHMTF-QGZVFWFLSA-N 424.282 3.333 0 40 HGAB C[C@H]1CN(Cc2ccc(C(=O)N3CCN(c4ccc(F)cc4)CC3)cc2)C[C@H](C)O1 32824521 PAZYSRJQVVYRPR-OALUTQOASA-N 411.521 3.397 0 40 HGAB O=C(NCC1CCN(S(=O)(=O)c2cccnc2)CC1)c1cc2ccccc2s1 225620812 BFGBVHOFABPRPD-UHFFFAOYSA-N 415.540 3.127 0 40 HGAB COCc1nn2c(ncc3c(=O)n([C@@H](C(=O)O)C(C)C)ccc32)c1-c1ccccc1 40396456 WZPGEEGNJRNXIR-LJQANCHMSA-N 406.442 3.139 0 40 HGAB CCSc1nnc(NS(=O)(=O)c2ccc(SC)c(NC(C)=O)c2)s1 225071532 MXDUFIZJJSUERX-UHFFFAOYSA-N 404.564 3.131 0 40 HGAB CS(=O)(=O)N(CCCC(=O)NCCc1ccc(F)cc1)c1ccc(Cl)cc1 224632458 BYBIJUGTHMKOMB-UHFFFAOYSA-N 412.914 3.384 0 40 HGAB COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccn(C)c2)cc1 225229231 WWJMLVXVAHPILW-NHCUHLMSSA-N 421.526 3.182 0 40 HGAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2ccc(Cn3ccnc3C)cc2)c1 225297137 VXFPMIZAUUEAPH-UHFFFAOYSA-N 407.426 3.065 0 40 HGAB CCOC(=O)c1ccc(NC(=O)CCCN(c2ccccc2F)S(C)(=O)=O)cc1 222650738 LTXWKPHWJMVSLF-UHFFFAOYSA-N 422.478 3.187 0 40 HGAB COC(=O)c1ccc(-c2c(NC3CCCCC3)oc3c2c(=O)n(C)c(=O)n3C)cc1 95115654 PFUMXXAWPAHWPJ-UHFFFAOYSA-N 411.458 3.028 0 40 HGAB Cc1nn(C)cc1S(=O)(=O)N1CCCC[C@H]1c1ncc(Cc2ccccc2)o1 257249646 JJFCYNYBQCTORW-SFHVURJKSA-N 400.504 3.223 0 40 HGAB Cc1sc2ncnc(N3CCC(C(=O)NCCCN(C)C(C)C)CC3)c2c1C 41318806 UKHXUWGWLUFGES-UHFFFAOYSA-N 403.596 3.371 0 40 HGAB CNc1cc([C@@H]2CCCN(C(=O)[C@H]3CC[C@H](OC)CC3)C2)nc(-c2cccnc2)n1 257332013 XVJCQLNKJUOSCW-BHIYHBOVSA-N 409.534 3.492 0 40 HGAB CCc1ccc([C@@H](C)NC(=O)[C@H](C)N(c2ccc(OC)cc2)S(C)(=O)=O)cc1 260740990 CJBOVHLMLYFMAY-CVEARBPZSA-N 404.532 3.290 0 40 HGAB Cc1ccc(OC[C@@]2(O)CCCN(CC(=O)NCc3cccc(F)c3)CC2)c(C)c1 585272434 ITLIASLVQGIYGD-XMMPIXPASA-N 414.521 3.355 0 40 HGAB Cc1nn(C)cc1NC(=O)CN1CCC[C@H]1c1csc(NC(=O)c2ccccc2)n1 585272293 MWTBGWROSBRBTO-SFHVURJKSA-N 424.530 3.213 0 40 HGAB Cc1cccc(N2CCN([C@@H](C)C(=O)NCC(=O)Nc3c(C)cccc3C)CC2)c1C 57577200 JREYZTXZUKCKGJ-NRFANRHFSA-N 422.573 3.186 0 40 HGAB CCOC(=O)C(CCC(C)(C)SCc1ccccc1)(NC(C)=O)C(=O)OCC 5663698 OOAGLGSWFWDLKZ-UHFFFAOYSA-N 409.548 3.480 0 40 HGAB COc1ccc2c(c1)O[C@]1(C[C@H]3CC[C@@H]1C[C@@H]3C(=O)NCCc1ccccc1)NC2=O 12185241 SCGUHDRBLOOLMO-OTAOWNHYSA-N 420.509 3.309 0 40 HGAB O=C(NC[C@H]1CCCO1)c1ccccc1NS(=O)(=O)Cc1ccc(Cl)cc1 14291509 NLTKGEDASCJNFU-MRXNPFEDSA-N 408.907 3.191 0 40 HGAB CN(C)C(=O)[C@@]1(Cc2ccccc2-c2ccccc2)CCN(C(=O)[C@H]2CCCO2)C1 19579891 BOPXUIINDMAGTK-RCZVLFRGSA-N 406.526 3.382 0 40 HGAB Cc1cnc(C(=O)N2CCC[C@@H](c3nc(N(C)C)ncc3-c3ccccc3)C2)cn1 19694027 HFMUYHNPVCSGNL-GOSISDBHSA-N 402.502 3.328 0 40 HGAB CN(C)c1ncc(-c2ccc(F)cc2)c([C@H]2CCCN(C(=O)c3ccc(N)nc3)C2)n1 19694266 ZHFIRPTYAQTEDH-KRWDZBQOSA-N 420.492 3.346 0 40 HGAB CCc1ncc(CN2CCC(c3nc(-c4ccc(F)cc4)c(C(=O)NC)[nH]3)CC2)cn1 19696986 XJFRJPBPDIOEMT-UHFFFAOYSA-N 422.508 3.307 0 40 HGAB COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)C[C@H]1C(=O)Nc1ccccc1F 19819164 IBFIGENJHPBGRI-OAHLLOKOSA-N 400.381 3.403 0 40 HGAB Cc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)N3CC[C@H](C)[C@@H]4CCCC[C@@H]43)=C2)cc1 169682045 FGFFGUWDGCADLG-QRFRQXIXSA-N 415.559 3.285 0 40 HGAB Cc1cnn(CC(=O)N2CCC[C@@]3(CCCCCOc4ccccc4C(=O)NC3)C2)c1 643559266 AALLKSGKMVFJJL-XMMPIXPASA-N 424.545 3.183 0 40 HGAB COc1cc(OC)nc(O[C@H](C(=O)O)[C@](C)(Oc2ccccc2)c2ccccc2)n1 34526366 ZEIQFLAUJKHOLJ-DENIHFKCSA-N 410.426 3.320 0 40 HGAB in-vitro CCN(CC)C(=O)c1cc(S(=O)(=O)N2CCCC[C@@H]2C)ccc1Br 36047952 IPQYEEJGAMFYLT-ZDUSSCGKSA-N 417.369 3.494 0 40 HGAB Cc1nc2ccc3nc(NC(=O)CN4C(=O)c5ccccc5C4=O)sc3c2s1 4079200 NQXBHXXDGCVMFP-UHFFFAOYSA-N 408.464 3.449 0 40 HGAB CCc1ccc(S(=O)(=O)Nc2ccc(N3CCCCS3(=O)=O)cc2)s1 5250706 XEQCQRYCRRLEIN-UHFFFAOYSA-N 400.547 3.041 0 40 HGAB Cc1ccc(-c2ccc(=O)n(CCCNC(=O)Nc3ccc4c(c3)OCCO4)n2)cc1 13801302 AFEQATSTQKUZGT-UHFFFAOYSA-N 420.469 3.202 0 40 HGAB CCS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)c3ccc(C)c(C)c3)cc21 15781492 RFBOGUFDNCFBOR-UHFFFAOYSA-N 408.545 3.207 0 40 HGAB COc1cccc([C@@H](c2sc3nc(-c4ccco4)nn3c2O)N2CCOCC2)c1 22852459 PLPHCHGFTUGUTK-INIZCTEOSA-N 412.471 3.187 0 40 HGAB O=C(Nc1cccc(C(F)(F)F)c1)c1cn(C[C@@H]2CCCO2)cc2c(=O)[nH]nc1-2 36705885 WGXIKJINVMDICZ-ZDUSSCGKSA-N 406.364 3.126 0 40 HGAB Cc1ccn(-c2ccc(C(=O)N(Cc3cccs3)[C@H]3CCS(=O)(=O)C3)cc2)n1 40131043 MUWDHECYEZGYED-SFHVURJKSA-N 415.540 3.072 0 40 HGAB CCn1c(=O)[nH]c(=O)c2cc(C(=O)Nc3ccc(Oc4ccccc4)cc3)cnc21 29107775 LAOMMJZFOZARHJ-UHFFFAOYSA-N 402.410 3.149 0 40 HGAB COc1ccc([C@@H](NC(=O)COCc2nc3ccccc3s2)c2nccn2C)cc1 29132801 GXENZOXKBHTHAM-OAQYLSRUSA-N 422.510 3.461 0 40 HGAB COc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3cc(Cl)ccc3C)CC2=O)cc1 800626 SMZFYZSPCBFJHB-CQSZACIVSA-N 416.861 3.192 0 40 HGAB Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)NCCC(=O)N3CCCC3)cc12 7988147 ZMYHNGFSIQPKDZ-UHFFFAOYSA-N 414.506 3.336 0 40 HGAB NC(=O)C1CCN(C(=O)c2ccccc2C(=O)c2ccc(Br)cc2)CC1 29410999 DRDCPRBSKNCZOI-UHFFFAOYSA-N 415.287 3.018 0 40 HGAB O=c1cccc2n1C[C@H]1C[C@@H]2CN(C(=S)Nc2cccc(Br)c2)C1 4135125 LYYZVNZSUONOEC-QWHCGFSZSA-N 404.333 3.427 0 40 HGAB O=C(COC(=O)c1cccc(O)c1)/N=c1\sccn1Cc1ccccc1Cl 6662511 WCWANMUVNZNROV-VZCXRCSSSA-N 402.859 3.241 0 40 HGAB CCc1nc2ccccc2c(C(=O)OCC(=O)N2CC(=O)Nc3ccccc32)c1C 2640018 MFKGHJSXKMYXTI-UHFFFAOYSA-N 403.438 3.248 0 40 HGAB CCCn1nc(C(=O)Nc2sc3c(c2C(N)=O)CCCC3)c2ccccc2c1=O 2616647 QFUXDYFXXWBIFH-UHFFFAOYSA-N 410.499 3.098 0 40 HGAB Cc1cc(NC(=O)COC(=O)CCC(=O)Nc2cccc(Cl)c2Cl)no1 8415416 RYLVRKXXGSXUTL-UHFFFAOYSA-N 400.218 3.190 0 40 HGAB COc1ccc(S(=O)(=O)Nc2ccc(F)c(F)c2)cc1C(=O)N1CCCCC1 8560574 FONLLHSWILOGKD-UHFFFAOYSA-N 410.442 3.400 0 40 HGAB CC(C)CN1C[C@H](C(=O)N[C@@H](Cc2ccccc2)c2nc3ccccc3[nH]2)CC1=O 29823106 WVGFFIMHIJYJTK-NQIIRXRSSA-N 404.514 3.467 0 40 HGAB COC(=O)c1sccc1NC(=O)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1 32906895 NYQMVZIFFYGQDW-JTQLQIEISA-N 423.288 3.289 0 40 HGAB COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)[C@H](C)Oc1cccc(Cl)c1 32900769 GRILDYMWJHLZTF-AWEZNQCLSA-N 418.877 3.369 0 40 HGAB CCOC(=O)c1sc2ncn3nc(-c4cc(C(F)(F)F)n(C)n4)nc3c2c1C 2791048 ADTNKWXORWHFNH-UHFFFAOYSA-N 410.381 3.243 0 40 HGAB COc1ccc([C@H](C)NC(=O)CN(c2ccc(OC(C)C)cc2)S(C)(=O)=O)cc1 22397400 DWTONHWZJGRHMG-INIZCTEOSA-N 420.531 3.126 0 40 HGAB COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)c(C(=O)OC)c2)c1 26541144 GQFSFXZAHNWUDR-UHFFFAOYSA-N 418.254 3.367 0 40 HGAB O=C(O)c1ccccc1C(=O)Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1 676467 YLJPUURLVFSJEK-UHFFFAOYSA-N 402.472 3.248 0 40 HGAB CC[C@@H](C(=O)N(C)Cc1ccccc1OC)N(c1ccc(C)cc1)S(C)(=O)=O 22515370 ROWRGXDVOBXQEX-IBGZPJMESA-N 404.532 3.207 0 40 HGAB CCc1ccc(NC(=O)Cn2ccn3nc(-c4ccc(OC)cc4)cc3c2=O)cc1 12414438 FQIQSCGGRJHXIM-UHFFFAOYSA-N 402.454 3.373 0 40 HGAB CN(C)S(=O)(=O)c1ccc(CNC(=O)Nc2ccc(C(F)(F)F)cc2)cc1 47702165 KPUIYLPEFZGQFB-UHFFFAOYSA-N 401.410 3.277 0 40 HGAB CC[C@H](NS(=O)(=O)c1ccc(OC)c(C(=O)N2CCCC2)c1)c1ccccc1 22513734 ZAROZZSVNHBXBT-IBGZPJMESA-N 402.516 3.361 0 40 HGAB C[C@H]1CN(C(=O)CSc2nnc(Cc3cccs3)n2-c2ccccc2)CCO1 12588696 VZDRTPJKDOJKMY-HNNXBMFYSA-N 414.556 3.259 0 40 HGAB COc1ccc(OC)c(CN2CCN(C(=O)CCc3c[nH]c4ccccc34)CC2)c1 24602149 RMRQNKCWOTZAMV-UHFFFAOYSA-N 407.514 3.462 0 40 HGAB Cc1cc(C)c(NC(=O)CNC(=O)[C@H](NC(=O)Cc2ccccc2)C(C)C)c(C)c1 24865982 LYMAQZPJKYLNGT-JOCHJYFZSA-N 409.530 3.050 0 40 HGAB COc1cc(C(=O)O)c(NS(=O)(=O)c2ccc(F)c(Cl)c2)c(OC)c1OC 12583172 BVSXRRIDKMZGMO-UHFFFAOYSA-N 419.814 3.004 0 40 HGAB C[C@H](NC(=O)NC1CCN(CC(=O)Nc2ccccc2)CC1)c1ccc(F)c(F)c1 26283823 LRRSJVLBUPLCIW-HNNXBMFYSA-N 416.472 3.428 0 40 HGAB Cc1cc(C)cc(N(CC(=O)NCCCc2ccccc2Cl)S(C)(=O)=O)c1 22329108 UDECXWPONVFAQI-UHFFFAOYSA-N 408.951 3.472 0 40 HGAB COC(=O)CNC(=O)Cc1sc(Nc2ccccc2OC)nc1-c1ccccc1 12633590 YNTJZISVMFJYLC-UHFFFAOYSA-N 411.483 3.394 0 40 HGAB COc1cccc(NC(=O)CN(C)CC(=O)Nc2ccc(C)cc2Br)c1 8036892 KJHOTPBZLSZBOC-UHFFFAOYSA-N 420.307 3.275 0 40 HGAB Cc1ccc(OCC(=O)NC[C@H](c2ccc(Cl)cc2)N2CCN(C)CC2)cc1 27662234 UYQZVFNPIRFJIS-OAQYLSRUSA-N 401.938 3.132 0 40 HGAB O=C(CNC(=O)c1ccccc1Br)Nc1ccc(N2CCCC2)cc1 10430254 NQHGNDZXGPYXOB-UHFFFAOYSA-N 402.292 3.418 0 40 HGAB Fc1ccc2[nH]c3c(N4CCN(Cc5ccc6c(c5)OCO6)CC4)ncnc3c2c1 2262469 HBVIUQRSDMYKQV-UHFFFAOYSA-N 405.433 3.301 0 40 HGAB CC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc(Cl)c2Cl)cc1 12771012 CQCVWUUUENACSU-UHFFFAOYSA-N 415.298 3.455 0 40 HGAB O=C(CSc1nnc(N2CCCC2)n1Cc1ccco1)N1CCc2ccccc2C1 25947000 QVIJYAPKSWANGG-UHFFFAOYSA-N 423.542 3.197 0 40 HGAB CCCn1nccc1CNC(=O)c1cc(-c2c(C)nn(CC)c2C)nc2c1cnn2C 36616513 SFPTVNCWCDJVGI-UHFFFAOYSA-N 420.521 3.005 0 40 HGAB C[C@@H](NC(=O)CNC(=O)c1ccc(Cl)cc1Cl)c1ccc2c(c1)OCCO2 12995691 XQMKHFMFMGLQND-LLVKDONJSA-N 409.269 3.372 0 40 HGAB O=C(NC[C@@H](c1cccs1)N1CCOCC1)c1nn(-c2ccccc2)c2c1CCC2 13005680 ZHTZZKYGNUVQMY-FQEVSTJZSA-N 422.554 3.226 0 40 HGAB COc1ccccc1NC(=O)Cn1c(C(F)(F)F)nc2cc3c(cc21)OCCO3 64814492 PUOPQUOTKJTVLW-UHFFFAOYSA-N 407.348 3.474 0 40 HGAB CCOc1ccc(C(=O)NCC(=O)OCC(=O)c2c[nH]c3c(CC)cccc23)cc1 6109161 JZICEUWBFBUNGQ-UHFFFAOYSA-N 408.454 3.285 0 40 HGAB Cc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1S(=O)(=O)N1CCCCC1 6234207 ATWGXRXTXQKZSS-UHFFFAOYSA-N 416.499 3.193 0 40 HGAB O=C(COC(=O)c1cc(-c2ccccc2)c(N2CCOCC2)s1)NC1CCCC1 5231516 CECMNLNBPNXKGQ-UHFFFAOYSA-N 414.527 3.467 0 40 HGAB COC(=O)c1cc(C(=O)c2ccccc2O)cn2c(=O)c3c(C)c(C)sc3nc12 6602687 NSIQHEBJGSZXEP-UHFFFAOYSA-N 408.435 3.249 0 40 HGAB Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)CCc3ccccc3)CC2)c(C)c1 5614190 MNMDIOFBGIHODG-UHFFFAOYSA-N 400.544 3.078 0 40 HGAB O=C(CN(Cc1ccccc1)CC1CCC1)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 69947649 ZKZIHIUTUFRIIK-JOCHJYFZSA-N 418.603 3.247 0 40 HGAB O=C(CSc1nnnn1-c1cccc(F)c1)Nc1cccc(Br)c1 5795535 FWHUDOPRRSCSHX-UHFFFAOYSA-N 408.256 3.295 0 40 HGAB COCc1cc(C(C)=O)ccc1O[C@H](C)C(=O)Nc1ccc(N2CCOCC2)cc1 6831187 AVSLJBICXWDTBY-QGZVFWFLSA-N 412.486 3.278 0 40 HGAB COc1ccc(-c2noc(CNC(=O)COc3cc(C)cc(C)c3C)n2)cc1OC 4943802 HTJHBOOSUVPFFV-UHFFFAOYSA-N 411.458 3.374 0 40 HGAB COc1cc(C)c(Br)cc1S(=O)(=O)Nc1cccc(C(=O)O)c1 8714929 BAVQCABNEWBSKS-UHFFFAOYSA-N 400.250 3.265 0 40 HGAB CC(=O)c1cccc(NC(=O)[C@@H](c2ccccc2)N2CCC(C(=O)N(C)C)CC2)c1 96792287 NPOYWISSPNINLU-JOCHJYFZSA-N 407.514 3.369 0 40 HGAB COc1ccc(Cl)cc1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2cccc(C)c2)C1 408650616 BXKJVAFCOCTINK-CQSZACIVSA-N 416.861 3.192 0 40 HGAB CCc1ccc(NC(=O)CN2N=C(c3nc(-c4ccccc4)no3)CCC2=O)cc1 71328265 JCIXECTYUSSYCJ-UHFFFAOYSA-N 403.442 3.264 0 40 HGAB COc1ccc(-c2cc3ncnc(NNC(=S)NC[C@@H]4CCCO4)c3s2)cc1 19797148 QLROVPDOANJAIC-AWEZNQCLSA-N 415.544 3.337 0 40 HGAB COC(=O)Cc1c(C)c2ccc3c(c2oc1=O)CN(CCc1ccccc1OC)CO3 19882567 GPLCIARCHZRPHE-UHFFFAOYSA-N 423.465 3.220 0 40 HGAB O=C(NCc1ccco1)[C@H]1CCCN1C(=O)c1cc(Cl)c2c(c1)OCCCO2 71872779 FHEHSGVSDBTMJC-MRXNPFEDSA-N 404.850 3.015 0 40 HGAB COC(=O)c1nc(NC(=O)CCc2cc(OC)no2)sc1-c1ccc(F)cc1 95478358 VDSMTCCGSCPRDX-UHFFFAOYSA-N 405.407 3.304 0 40 HGAB CC(=O)Nc1ccc(C(=O)NC2CCN(c3cc(-c4ccccc4)n[nH]3)CC2)cc1 98212611 ZMGAMOSCTBTXTQ-UHFFFAOYSA-N 403.486 3.434 0 40 HGAB COc1ccc(C(=O)N2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)cc1OC 9990101 OQDLWNZGYUISPN-UHFFFAOYSA-N 411.454 3.210 0 40 HGAB CS(=O)(=O)c1ccc2c(c1)N(C(=O)c1csc(-c3ccccc3)n1)CCO2 89490148 ADHNJUBFGUYKCF-UHFFFAOYSA-N 400.481 3.253 0 40 HGAB Cc1nccc(NCc2cccc(C(=O)Nc3ccc4c(c3)CCN4C(N)=O)c2)n1 544553915 OXUAEUNMBJXHTF-UHFFFAOYSA-N 402.458 3.091 0 40 HGAB COc1ccc(Nc2nnc(SCc3ccccc3Cl)n(N)c2=O)cc1OC 28536236 ZBGLUNQHEGGQCH-UHFFFAOYSA-N 419.894 3.059 0 40 HGAB Cc1cc(CN2CCC[C@]3(CN(C(=O)c4ccccc4)CC(F)(F)C3)C2=O)n(C)n1 306144512 ZHIVLDZBGLGUMS-NRFANRHFSA-N 416.472 3.019 0 40 HGAB CCN(CC)CCn1c(NC(=O)c2cnn3c(C)cc(C)nc23)nc2ccccc21 23110828 XOFXKSYCXVOURN-UHFFFAOYSA-N 405.506 3.290 0 40 HGAB CCN(c1ccc(C(=O)N2CCOCC2)cc1)S(=O)(=O)c1ccc(SC)cc1 408703586 UANWCYIHLRDACF-UHFFFAOYSA-N 420.556 3.096 0 40 HGAB COc1ccc(N(CCC(N)=O)C(=O)CSc2ccccc2Br)cc1 31626646 UOXKKZPWQRGAFA-UHFFFAOYSA-N 423.332 3.458 0 40 HGAB O=S(=O)(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cccc(-n2cnnn2)c1 60060246 AWXKAZFMNBHTTJ-UHFFFAOYSA-N 403.773 3.135 0 40 HGAB O=C(Cc1csc(-c2cnccn2)n1)N1CCO[C@H](c2ccccc2Cl)C1 505130984 PXEYVAKLXHDYRR-KRWDZBQOSA-N 400.891 3.396 0 40 HGAB COc1ccc(N(CC(=O)N[C@H](C)c2ccc(F)cc2)S(C)(=O)=O)cc1Cl 30847342 JASDFYQIRWCUAP-GFCCVEGCSA-N 414.886 3.131 0 40 HGAB CCCn1nc(C(=O)OCc2nc3ccccc3c(C)c2C(=O)OCC)ccc1=O 32708102 IYMBTTVKXHKQOP-UHFFFAOYSA-N 409.442 3.044 0 40 HGAB CNC(=O)[C@@]1(Cc2ccc(-c3cccs3)cc2)CN(C(=O)C(C)(C)C)CCO1 72389229 LZBZVHAIGZUQPH-JOCHJYFZSA-N 400.544 3.347 0 40 HGAB C[C@@H]1CCC[C@@]2(C)C[C@H]3OC(=O)[C@H](CN4CCN(C(=O)c5ccco5)CC4)[C@@H]3C=C12 36507692 MQSZZIBOTGMDJA-ZGWDCZMSSA-N 412.530 3.352 0 40 HGAB Cc1cc(C)n2nc(CC(=O)Nc3ccc(CC[C@H]4CCN(C)C[C@@H]4C)cc3)nc2n1 72335304 BGGZICMIEFPWTK-JXFKEZNVSA-N 420.561 3.443 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC(C(=O)N(C)c3ccc(F)cc3)CC2)cc1C 226080898 PVLPNNDMRGGZOU-UHFFFAOYSA-N 420.506 3.206 0 40 HGAB Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)Nc3c(F)cccc3F)s2)c1 225511887 IFLTVGFBJGUWMZ-UHFFFAOYSA-N 410.427 3.178 0 40 HGAB CNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)Cc1ccccc1C 225469918 CIHXPBPMGMZKDS-OAHLLOKOSA-N 403.320 3.463 0 40 HGAB CCCc1ccc(OCCNC(=O)c2ccc(NS(C)(=O)=O)cc2Cl)cc1 224407391 HAJKQIFCZSKTDN-UHFFFAOYSA-N 410.923 3.473 0 40 HGAB O=C(COc1ccc2c(c1)CCCC2)Nc1ccccc1C(=O)NC[C@H]1CCCO1 223638321 FKMRQIZFEGVXOS-HXUWFJFHSA-N 408.498 3.492 0 40 HGAB COc1ccc(Nc2c(C(=O)N3CCOCC3)cnc3nc(C)ccc23)cc1OC 49004810 LDDOFDIUHWANBW-UHFFFAOYSA-N 408.458 3.171 0 40 HGAB Cc1cccc(N(C)S(=O)(=O)c2cccc(C(=O)NCCCOC(C)C)c2)c1 224136642 BZVWVELCDGKXCO-UHFFFAOYSA-N 404.532 3.365 0 40 HGAB CN(Cc1ccc(Cl)cc1)C(=O)CN(Cc1ccccc1Cl)S(C)(=O)=O 225664221 ZKIMXGPJXOVRKQ-UHFFFAOYSA-N 415.342 3.414 0 40 HGAB O=C(NCCn1nc(C2CC2)n(-c2ccccc2)c1=O)c1ccc(-n2cccc2)cc1 77197951 RVDUNKMGKOVAKL-UHFFFAOYSA-N 413.481 3.132 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)N1CCCCCC1 224642385 DUSSAGRERZVDRP-UHFFFAOYSA-N 408.564 3.205 0 40 HGAB O=C(C[C@@H]1CC2(CCN(C(=O)C3CCOCC3)CC2)Oc2ccccc21)NC1CC1 96080000 PYOFUVPCIRLBRS-GOSISDBHSA-N 412.530 3.009 0 40 HGAB CCN1C[C@H]2C3(CCN(Cc4nccs4)CC3)CC[C@@]2(C(=O)N2CCCC2)C1 96036316 VZTLVFDUHGEFGW-PGRDOPGGSA-N 402.608 3.080 0 40 HGAB O=C(c1cc2c(c3ccccc3n2CC2CC2)n1-c1ncccn1)N1CCC[C@@H](O)C1 96037454 BIHWIXVPMSSCTE-QGZVFWFLSA-N 415.497 3.382 0 40 HGAB CC(=O)N1[C@@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)N2C(=O)c1ccnnc1 257208269 BLKJTJXZBOQJNF-QMDPOKHVSA-N 404.514 3.092 0 40 HGAB CC(C)C(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](CCNC(=O)c4ccncc4)OCC[C@@]31C2 257247881 JAZCGTDSIDNGBO-HHKUTSEXSA-N 413.562 3.184 0 40 HGAB O=C(NCc1cccnc1OCC(F)(F)F)[C@@H]1CCCCN1Cc1ccncc1 1116004785 STAKDGANIICREI-KRWDZBQOSA-N 408.424 3.089 0 40 HGAB Cc1c(C(=O)N2Cc3ccnn3[C@@H](CC(=O)NCc3ccco3)C2)oc2ccccc12 585095836 OQPOFLFMSAIHBM-KRWDZBQOSA-N 418.453 3.434 0 40 HGAB Cc1nc(C)c(C(=O)N2CCC3(CC2)CO[C@@H](CN(C)Cc2cccnc2)C3)s1 585104784 SKXVWTRMGJWALI-LJQANCHMSA-N 414.575 3.298 0 40 HGAB C[C@@H](C1CC1)N(CC(F)(F)F)C(=O)CSc1nnc(-c2cccs2)n1N 11592340 SWTKRKZSQSXTIW-VIFPVBQESA-N 405.471 3.002 0 40 HGAB O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(CN2CCCC2)cc1 13679148 HDWXZKBUSVNNCK-UHFFFAOYSA-N 413.543 3.319 0 40 HGAB COc1ccc(NC(=O)CCCN(c2ccc(F)cc2)S(C)(=O)=O)c(OC)c1 14398977 KHQTZBOPKBJSIV-UHFFFAOYSA-N 410.467 3.028 0 40 HGAB CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 14399393 HTQDADNKMNHADJ-FQEVSTJZSA-N 418.515 3.276 0 40 HGAB Cc1ccc(-c2noc([C@@H]3C[C@@H](O)CN3Cc3nc4ccccc4n3C)n2)cc1F 15674353 BXLKTIYMBYSFDH-BEFAXECRSA-N 407.449 3.379 0 40 HGAB biogenic,in-vitro Cc1ccc2[nH]c(C)c(CCNC(=O)C[C@@H]3NC(=O)N(C4CCCCC4)C3=O)c2c1 19220087 KGPOMOMLVKGJTO-FQEVSTJZSA-N 410.518 3.087 0 40 HGAB CC1(C)Cc2nc(-c3ccncc3)ncc2[C@@H](NC(=O)CCCN2CCCC2=O)C1 19461512 GGGIMSNFRPODCG-SFHVURJKSA-N 407.518 3.071 0 40 HGAB CCC(C)(C)n1nnnc1[C@H](c1ccncc1)N1CCN(c2ccccc2F)CC1 19499745 JNCPTHYTOIOBNY-FQEVSTJZSA-N 409.513 3.264 0 40 HGAB CCNC(=O)[C@@]1(Cc2cccc(-c3cccs3)c2)CCN(C(=O)c2ccn(C)n2)C1 19529074 PIZQBDIOGUTQRP-HSZRJFAPSA-N 422.554 3.360 0 40 HGAB CN(C)c1cc(C2CCN(C(=O)c3cccc(F)c3)CC2)nc(-c2cnccn2)n1 19584736 RJPSAGPFMUOVBT-UHFFFAOYSA-N 406.465 3.159 0 40 HGAB COc1ccc(CN(C(=O)CCn2ncc3c2CCCC3)C2CCN(C)CC2)cc1 19588140 DVSINSAASCOLIV-UHFFFAOYSA-N 410.562 3.284 0 40 HGAB COc1cccc(CC(=O)N2CCO[C@H](c3nccnc3-c3cccc(F)c3)C2)c1 19693051 CLAPNNNNCYZQRS-FQEVSTJZSA-N 407.445 3.434 0 40 HGAB Cc1cnc(C(=O)N2CCC[C@H](c3nc(N(C)C)ncc3-c3ccc(F)cc3)C2)cn1 19694000 FHXIXHYWEJUYGE-KRWDZBQOSA-N 420.492 3.467 0 40 HGAB COc1ccc2c(c1)c(C[C@H](C)NC(=O)c1sc3nc(C)[nH]c(=O)c3c1C)cn2C 19718945 FRWDBEMAKXODIL-NSHDSACASA-N 424.526 3.463 0 40 HGAB COC(C)(C)C(=O)N1CCC[C@H]1c1nc(C)c2c(n1)N(CCc1ccccc1)C(=O)C2 19744223 PLDNZBSJEXLTHV-IBGZPJMESA-N 422.529 3.005 0 40 HGAB CC(=O)c1ccc(NC(=O)c2ccc(N3C(=O)[C@@H](C)CS3(=O)=O)cc2Cl)cc1 15858452 UALUQFPFLGNMFA-NSHDSACASA-N 420.874 3.107 0 40 HGAB Cc1ccc2c(c1)C(=O)N([C@@H](C)C(=O)N1CCCC[C@@H]1C)CC1(CCOCC1)O2 19218644 KRWZBJSVUNHMCN-ROUUACIJSA-N 400.519 3.168 0 40 HGAB O=c1c2sccc2ncn1CN1CCCN(c2ccc(C(F)(F)F)cn2)CC1 24529315 LPOOXSAKRBUPOQ-UHFFFAOYSA-N 409.437 3.042 0 40 HGAB COc1ccc(C(=O)Nc2nc3c(s2)CC[C@@H]3C(=O)NCc2ccccn2)cc1 8979844 HURXTZIMUUGVEU-INIZCTEOSA-N 408.483 3.145 0 40 HGAB O=C(Cn1ccn(-c2cccc(Cl)c2)c(=O)c1=O)Nc1ccccc1C(F)(F)F 15675216 AMIYNUUHQCCKOB-UHFFFAOYSA-N 423.778 3.310 0 40 HGAB CC(C)c1nc(S(=O)(=O)NC[C@H](c2csc3ccccc23)N(C)C)cn1C 575622169 XCUODIUPLNCPDI-MRXNPFEDSA-N 406.577 3.339 0 40 HGAB Cc1cc(C)nc(Nc2nc(CC(=O)Nc3ccc(N4CCOCC4)cc3)cs2)n1 49029514 DBIAUOWEELUPPC-UHFFFAOYSA-N 424.530 3.311 0 40 HGAB Fc1ccc(/C=C/c2nn(CN3CCN(Cc4ccccn4)CC3)c(=S)[nH]2)cc1 23268912 ABSMHIAZZZKRMB-RMKNXTFCSA-N 410.522 3.420 0 40 HGAB Cc1nc2oc3c(NCCCN4CCOCC4)ncnc3c2c2c1COC(C)(C)C2 20519057 OWERBGZHKRWPJE-UHFFFAOYSA-N 411.506 3.065 0 40 HGAB Cc1cccc(N(S(=O)(=O)c2ccc(F)cc2)S(=O)(=O)c2ccc(F)cc2)n1 2501139 DJAMQEPUBJYQNK-UHFFFAOYSA-N 424.450 3.252 0 40 HGAB COc1ccc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)N[C@@H](C)CCCC(C)C)[C@H]4C2=O)cc1 15894231 OLAUHODKTOCQBC-QNYRDFISSA-N 412.530 3.313 0 40 HGAB biogenic Cc1cc(F)c2c(c1)C(=O)C(=O)N2CN1CCN(c2cccc(C(F)(F)F)c2)CC1 29498948 ACVUGRJIGFPJEA-UHFFFAOYSA-N 421.394 3.462 0 40 HGAB COc1cc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)cc(OC)c1 1361902 JVYQDWRVJCFZJS-MRXNPFEDSA-N 418.515 3.052 0 40 HGAB COCCn1c(SCC(=O)N2CCCC[C@H]2C)nc2sc(C)c(C)c2c1=O 4188140 NJAOMWNEYQBQJW-GFCCVEGCSA-N 409.577 3.214 0 40 HGAB CCc1nn2c(=O)cc(COC(=O)c3cc(C)n(Cc4ccco4)c3C)nc2s1 20993645 JAEJZFLIGHTECN-UHFFFAOYSA-N 412.471 3.130 0 40 HGAB O=C(Cn1nc(-c2ccc(Br)cc2)ccc1=O)NC[C@@H]1C[C@H]2C=C[C@H]1C2 101675060 MICFIKJFOXBJPF-BPUTZDHNSA-N 414.303 3.001 0 40 HGAB CCCCOC(=O)[C@@H](C)OC(=O)CCCCC(=O)O[C@H](C)C(=O)OCCCC 4896093 SSDOIUULJQLMTQ-HZPDHXFCSA-N 402.484 3.097 0 40 HGAB CC(C)CNc1sc(S(C)(=O)=O)nc1S(=O)(=O)c1ccc(Cl)cc1 6751858 ASNHKXVXPZNAFX-UHFFFAOYSA-N 408.954 3.101 0 40 HGAB CCOc1ccccc1NC(=O)COC(=O)[C@H]1CC(=O)N([C@@H](C)c2ccccc2)C1 7232331 YNENSLMZKFQZNK-WMZOPIPTSA-N 410.470 3.177 0 40 HGAB COc1ccc(-c2nc3n(n2)[C@H](C(=O)Nc2ccc(F)c(Cl)c2)CC(=O)N3)cc1 10153467 FXXXSNNQABZPSD-HNNXBMFYSA-N 415.812 3.268 0 40 HGAB Cc1c(NC(=O)C2CCN(Cc3ccccc3F)CC2)c(=O)n(-c2ccccc2)n1C 9063482 RQRIWTNLVRFBMR-UHFFFAOYSA-N 422.504 3.474 0 40 HGAB CN(CCc1ccccn1)CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O 22287058 CWYFCDJYCOFIJS-UHFFFAOYSA-N 400.482 3.009 0 40 HGAB CC(C)NC(=O)[C@H](C)Sc1nnc(CN2CCCCC2)n1Cc1ccccc1 12136113 ZGOKGYGBDLIECQ-KRWDZBQOSA-N 401.580 3.318 0 40 HGAB Cc1cc(N2C(=O)[C@H]3[C@@H]4CC[C@H](O4)[C@@H]3C2=O)nn1Cc1c(Cl)cccc1Cl 102016867 OGYJEMNQVVWGSK-OTRWWLKZSA-N 406.269 3.213 0 40 HGAB O=C1CCc2cc(C(=O)Cn3cc(C(F)(F)F)cc(Cl)c3=O)c(F)cc2N1 42108007 CDLZBKOYKRVNDG-UHFFFAOYSA-N 402.731 3.427 0 40 HGAB C[C@H](C(=O)N1CCCCC1)[C@@H]1CC[C@@]2(C)CC[C@H](NC(=O)C3CC3)[C@@H](C)[C@@H]2[C@H]1O 20466683 ZJCRABAUDFNZHR-WLULSOSOSA-N 404.595 3.353 0 40 HGAB biogenic,in-vitro O=C(CSc1nnc(CN2CCCCC2)n1-c1ccccc1)NCC(F)(F)F 22883185 KPPNIYBFJYKXFI-UHFFFAOYSA-N 413.469 3.024 0 40 HGAB CCCNS(=O)(=O)c1ccc(OCC(=O)N[C@H](C)c2ccc(SC)cc2)cc1 20019717 XEAYUNAZHPQRHW-OAHLLOKOSA-N 422.572 3.353 0 40 HGAB O=C1[C@H]2CCCC[C@H]2C(=O)N1CCC(=O)N1CCCC[C@H]1c1nc2ccccc2[nH]1 50629805 PUOHVUQNAOYZDQ-FCEWJHQRSA-N 408.502 3.182 0 40 HGAB O=C(c1ccc[nH]c1=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 24132633 VTVMHCZUBDSFBI-UHFFFAOYSA-N 409.436 3.201 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)CC2)cc1 12568469 CSJBUNARHZZTMZ-GQIGUUNPSA-N 408.564 3.037 0 40 HGAB CCOC(=O)[C@@H](NC(=O)/C(=C/c1ccc(F)cc1)NC(=O)c1ccccc1)C(C)C 2271684 ODFIGXGZYZCSKG-STIKNRRDSA-N 412.461 3.301 0 40 HGAB O=C(COC(=O)/C=C/c1cccc(C(F)(F)F)c1)NCc1ccc2c(c1)OCO2 3255994 JYFGAYHZIFYHSK-FNORWQNLSA-N 407.344 3.307 0 40 HGAB O=C1c2ccccc2C(=O)N1CC(=O)N(C[C@H]1CCCO1)c1nc2ccccc2s1 10786322 MEJLWOKAQJBYQS-CQSZACIVSA-N 421.478 3.105 0 40 HGAB COc1ccc(C(=O)OCc2ccc(COC(=O)c3ccc(OC)nc3)cc2)cn1 8512387 AEQMEGSALQOPEM-UHFFFAOYSA-N 408.410 3.208 0 40 HGAB O=C(CCN1CCC(C(=O)Nc2ccccc2O)CC1)Nc1ccc(F)c(F)c1 12762798 OZWZHDFXQHQVNX-UHFFFAOYSA-N 403.429 3.350 0 40 HGAB CCOC(=O)c1c(NC(=O)CSc2nnnn2C2CC2)sc2c1CC[C@@H](C)C2 12787639 KRCITCNRYVPTBE-SNVBAGLBSA-N 421.548 3.102 0 40 HGAB Cc1ccccc1C(=O)N1CCC(C(=O)O[C@H](C)C(=O)N2CCC(C)CC2)CC1 12796844 JMBCZTYEKMSZOF-GOSISDBHSA-N 400.519 3.037 0 40 HGAB COc1ccc(C(N)=O)c(OCc2nnc(-c3c(-c4ccccc4)noc3C)o2)c1 12983740 IVUSSKVAWYZZIR-UHFFFAOYSA-N 406.398 3.387 0 40 HGAB COc1ccccc1OCCC(=O)Nc1cccc(S(=O)(=O)NC(C)(C)C)c1 12975675 AHACRYWWNOKPLR-UHFFFAOYSA-N 406.504 3.180 0 40 HGAB C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)N3CCCc4ccccc43)c2)C[C@H](C)O1 16023060 CATFOOCTHYCEEG-IRXDYDNUSA-N 414.527 3.078 0 40 HGAB CCN1CCC[C@H]1CNC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1 7777217 URPVHEJYQWAWGM-FQEVSTJZSA-N 415.559 3.034 0 40 HGAB CN(CC(=O)Nc1cc(Cl)ccc1-n1cncn1)Cc1cnn(-c2ccccc2)c1 13128761 IFRBTRSEKYPTNI-UHFFFAOYSA-N 421.892 3.177 0 40 HGAB COc1ccc(-c2nnc3sc(CCCN4C(=O)c5ccccc5C4=O)nn23)cc1 13573032 JDDZLEHMJLGTSB-UHFFFAOYSA-N 419.466 3.090 0 40 HGAB CCOC(=O)CSc1nnc(NC(=O)c2cccc(OC(F)(F)F)c2)s1 4107154 OIIZCTOCLNIMMK-UHFFFAOYSA-N 407.395 3.344 0 40 HGAB COc1ccc([C@@H]2c3sc(=O)[nH]c3S[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]32)cc1 13776907 MSTJOPBPZBIPGP-UXLLHSPISA-N 424.503 3.241 0 40 HGAB aggregator CN(CC(=O)Nc1ccccc1N1CCCC1)Cc1ccccc1N1CCOCC1 8133177 OKIHTIAOYZPHFG-UHFFFAOYSA-N 408.546 3.194 0 40 HGAB CC(C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCn2c1nc1ccccc12 5485695 CLAMTMQQTJAIQJ-FQEVSTJZSA-N 419.529 3.340 0 40 HGAB CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1nnc(C2CC2)s1 4814768 RHEVTNYBFVYBRI-UHFFFAOYSA-N 400.533 3.349 0 40 HGAB Cc1cc2oc(=O)cc(COC(=O)[C@H]3CS[C@]4(C)CCC(=O)N34)c2cc1Cl 5876521 VNLHRDYFNFDGTA-AUUYWEPGSA-N 407.875 3.252 0 40 HGAB COc1ccc(C(=O)N[C@H](C)c2ccc(SC)cc2)cc1S(=O)(=O)N(C)C 20024872 KUKCLEWFOXIBHF-CYBMUJFWSA-N 408.545 3.158 0 40 HGAB CCOc1cc(=O)n2c(c1C(=O)N1CCN(c3ccc(F)cc3)CC1)CCCCC2 67350388 CZCOQPZCSKEQIZ-UHFFFAOYSA-N 413.493 3.075 0 40 HGAB Cc1cccc(NC(=O)Cn2c(-c3cccc(F)c3)nc(C)c(CCO)c2=O)c1C 67316842 KWXQFABSNJCQJO-UHFFFAOYSA-N 409.461 3.148 0 40 HGAB CCOC(=O)C1=C(COC(=O)c2cc3cc(F)ccc3s2)NC(=O)N[C@H]1CC 7166132 BGYPTPPDWWYASK-LBPRGKRZSA-N 406.435 3.106 0 40 HGAB CCCc1cc2c(cc1NS(=O)(=O)c1cc3oc(=O)n(C)c3cc1Cl)OCO2 8973613 YXXGKKPHDJHFDV-UHFFFAOYSA-N 424.862 3.267 0 40 HGAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N(C)c3ccccc3)CC2)cc1 23709723 SVJITSJITBTKNV-UHFFFAOYSA-N 402.516 3.149 0 40 HGAB CCCCOc1ccc(-c2[nH]ncc2C(=O)N2CCN(c3ncccn3)CC2)cc1 71011199 IPDVWYOSQPDDPH-UHFFFAOYSA-N 406.490 3.008 0 40 HGAB CC(C)(C)OC(=O)N(CCNC(=O)c1cccc(C(N)=O)c1)C1CCCCCC1 84199894 VFWLSWMFMKLKTK-UHFFFAOYSA-N 403.523 3.475 0 40 HGAB Cc1cccc(C(=O)NCc2nnc(SCC(=O)Nc3c(C)cccc3C)n2C)c1 409062011 LUDQJLWVSLUZDG-UHFFFAOYSA-N 423.542 3.401 0 40 HGAB Cc1ccnc2nc(C(=O)N3CCCCC[C@@H]3c3noc(-c4ccccc4)n3)nn12 96001357 NPEAJTKENGWBCK-MRXNPFEDSA-N 403.446 3.240 0 40 HGAB Cn1c(Cc2cccs2)nnc1SCC(=O)c1c[nH]c(C(=O)N2CCCC2)c1 9995871 QZRZQUTVMXONFC-UHFFFAOYSA-N 415.544 3.007 0 40 HGAB COc1ccccc1NC(=O)c1nnn(CC(=O)Nc2ccc(F)c(Cl)c2)c1C 67323102 GOESQNLAEDEXBR-UHFFFAOYSA-N 417.828 3.279 0 40 HGAB CCOC(=O)COc1ccc(Br)cc1/C=C1\SC(=O)N(C)C1=O 408817296 LDYXWVMCIPDXIF-GHXNOFRVSA-N 400.250 3.057 0 40 HGAB Cc1ccc(-c2cc(C(=O)NC3CCCC3)nn2[C@H]2CCS(=O)(=O)C2)cc1C 33325678 HAEKNGKPDCODEL-SFHVURJKSA-N 401.532 3.199 0 40 HGAB CCOCCCNC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1 409121061 XOOXMCCZRUZVFM-UHFFFAOYSA-N 404.532 3.042 0 40 HGAB O=C(NCCc1ccc2[nH]ccc2c1)c1sccc1S(=O)(=O)N1CCCCC1 508190898 LKMJEKYEBZIHPB-UHFFFAOYSA-N 417.556 3.377 0 40 HGAB COc1ccc(NC(C)=O)cc1NC(=O)[C@@H]1CCCCN1C(=O)c1cccs1 32905835 KQHANTCTLCEXQX-INIZCTEOSA-N 401.488 3.349 0 40 HGAB CC(C)Cn1c(SCC(=O)NCCCc2ccccc2)nc2ncccc2c1=O 32893352 GQVBRTQULHXOSL-UHFFFAOYSA-N 410.543 3.289 0 40 HGAB COc1ccccc1N1C(SCc2ccc(C)cc2)=N[C@@H]2CS(=O)(=O)C[C@H]21 32640735 SJNCFVDGZCMJIW-SJLPKXTDSA-N 402.541 3.279 0 40 HGAB Cc1nnc(NC(=O)CCC(=O)N[C@@H]2CCCc3c2cnn3Cc2ccccc2)s1 72396274 GKXFNJJIYXTEGT-QGZVFWFLSA-N 424.530 3.004 0 40 HGAB C[C@@H]1CCCCN1c1cc(C(F)(F)F)nc(NC(=S)NC[C@@H]2CCCO2)n1 225910060 ZDBXZLDPJMEAQF-NEPJUHHUSA-N 403.474 3.340 0 40 HGAB COc1ccc(OC)c([C@@H](C)NC(=O)[C@@H](C)N(c2cccc(C)c2)S(C)(=O)=O)c1 225460769 VGUMQMAKYVGTNA-HZPDHXFCSA-N 420.531 3.044 0 40 HGAB CS(=O)(=O)N(CCCC(=O)NCCOCc1ccccc1)c1ccc(Cl)cc1 224632802 HJVZMJHGCCRZAV-UHFFFAOYSA-N 424.950 3.219 0 40 HGAB Cc1ccc(S(=O)(=O)N(C)Cc2ncc(C(=O)Nc3ccc(C)cc3C)cn2)cc1 223381639 WAKJYLBTQCNTJT-UHFFFAOYSA-N 424.526 3.475 0 40 HGAB CSc1ccc(S(=O)(=O)NCCCOC2CCCCC2)cc1NC(C)=O 224793771 XOAFENTZVPSWNF-UHFFFAOYSA-N 400.566 3.385 0 40 HGAB COc1ccc(C(=O)NCCCOC(=O)c2snnc2-c2ccc(F)cc2)cc1 223844365 QBCOFOPXOVTLNS-UHFFFAOYSA-N 415.446 3.330 0 40 HGAB Cn1nc([C@@H]2CCCN(C(=O)c3ccc4cc[nH]c4c3)C2)n(-c2ccccc2)c1=O 77149802 AOPDYXWIWZDDHZ-GOSISDBHSA-N 401.470 3.072 0 40 HGAB Cc1nn(C)cc1S(=O)(=O)N1CCC[C@H](c2ncc(Cc3cccc(F)c3)o2)C1 257326635 WXZPMZMWANOLES-INIZCTEOSA-N 418.494 3.015 0 40 HGAB O=c1ccc2cc(S(=O)(=O)Nc3cc(-c4cccc(Cl)c4)[nH]n3)ccc2[nH]1 674755120 LWFUSLXZHDDSQD-UHFFFAOYSA-N 400.847 3.372 0 40 HGAB O=C(c1cccc(Br)c1)N1CCC(S(=O)(=O)Cc2ccco2)CC1 96099529 GJVWMEVBEZWVSQ-UHFFFAOYSA-N 412.305 3.262 0 40 HGAB O=C(NCC1CCN(C(=O)Oc2ccccc2)CC1)c1cncc(Br)c1 96120375 UJYCJAVRVSPQRZ-UHFFFAOYSA-N 418.291 3.485 0 40 HGAB O=S1(=O)C=C[C@H](N(Cc2ccccc2)S(=O)(=O)c2ccc3ccccc3c2)C1 575424244 UHEWVJRGVPBGKW-FQEVSTJZSA-N 413.520 3.341 0 40 HGAB O=C(c1cc(-c2cccs2)[nH]n1)N1CC[C@@H](c2ccccc2)S(=O)(=O)CC1 575619009 YZWKPGOKSNGFKT-SFHVURJKSA-N 401.513 3.140 0 40 HGAB CC[C@H]1Oc2cc([C@H](C)NC(=O)N3CC(=O)Nc4ccccc4C3)ccc2NC1=O 1678256678 AWLSQMOVJITSRV-SCLBCKFNSA-N 408.458 3.021 0 40 HGAB COc1ccc(-c2nnc(SCC(=O)Nc3ccc(NC(C)=O)cc3)n2C)cc1 5849784 ZUIPCQNOCKUPLW-UHFFFAOYSA-N 411.487 3.180 0 40 HGAB Cn1nc([C@@H](Cc2ccccc2)NC(=O)c2ccc3c(c2)OCO3)c2cccnc21 12236032 UNCDBTSQWRGMGE-GOSISDBHSA-N 400.438 3.411 0 40 HGAB CN(CCOc1ccccc1Cl)C(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 12761180 XHZMEOSNLBPYNE-UHFFFAOYSA-N 422.934 3.276 0 40 HGAB O=C(Nc1cc(-c2ccccc2)nn1[C@H]1CCS(=O)(=O)C1)c1cccc(Cl)n1 13692429 DIBPCRRARNQICT-AWEZNQCLSA-N 416.890 3.210 0 40 HGAB Cc1ccc(NC(=O)c2cccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)c2)c(C)c1 14066888 GBXLLDBUIIUJSE-CALCHBBNSA-N 402.516 3.354 0 40 HGAB CCOC(=O)[C@H]1Cc2cc(OC)c(OC)cc2C(Cc2ccc(OC)c(OC)c2)=N1 16890218 QUFNPFJDSBKCJN-GOSISDBHSA-N 413.470 3.241 0 40 HGAB CC(=O)N1CC[C@@H](c2nc(C)cc(NCC3(c4cccc(F)c4)CCOCC3)n2)C1 19118244 YHVHWCRUCROWBH-GOSISDBHSA-N 412.509 3.420 0 40 HGAB Cc1ccc2c(c1)C(=O)CC1(CCN(C(=O)C[C@H]3NC(=O)c4ccccc43)CC1)O2 19218166 JUQVQKFXDZVNQT-LJQANCHMSA-N 404.466 3.196 0 40 HGAB COc1ccccc1-c1cc2ncc3c(n2n1)C[C@H]1CC[C@@H]3N1C(=O)c1ccnn1C 19289075 NHHHCYGYBYBNDX-KDOFPFPSSA-N 414.469 3.040 0 40 HGAB C[C@@H](C(=O)Nc1ccccc1OCCn1cccn1)N1C(=O)[C@@H](C)Oc2ccccc21 19462072 UXGLFDZEXWQJGT-DLBZAZTESA-N 420.469 3.103 0 40 HGAB CCN1CCN(C(=O)c2cn(C)cn2)C[C@@H](Cc2ccc(-c3ccccc3)cc2)C1=O 19527334 RYBGIIFIQIXNNG-JOCHJYFZSA-N 416.525 3.250 0 40 HGAB CN1c2ncccc2C(=O)N[C@@H]1c1ccc(NC(=O)CN2CCCCCCC2)cc1 19590933 JVMXIDZENVPFCE-NRFANRHFSA-N 407.518 3.165 0 40 HGAB CNC(=O)c1cc([C@H]2CN(C(=O)CCc3ccccc3)CCO2)nc2ccccc12 19754406 ROQKQADTIUZPFM-JOCHJYFZSA-N 403.482 3.127 0 40 HGAB CCN(CC(=O)N[C@H](C)CCc1ccccc1)S(=O)(=O)c1ccc(OC)c(C)c1 19929934 XYCFZFDHTCDXEB-GOSISDBHSA-N 418.559 3.152 0 40 HGAB CCOc1ccc(-c2cccc(NS(=O)(=O)c3ccc(OC)c(OC)c3)c2)nn1 5204275 PMXUBGIOPLZUBQ-UHFFFAOYSA-N 415.471 3.360 0 40 HGAB CC(C)S(=O)(=O)c1ccc(CC(=O)NC[C@@](C)(O)c2cc3ccccc3o2)cc1 217992084 KKGQWCYUFCFVRJ-JOCHJYFZSA-N 415.511 3.181 0 40 HGAB CCOC(=O)c1sc(NC(=O)C2CN(c3cc(-c4ccccc4)ncn3)C2)nc1C 575607437 CKOKSGBTKCBKJV-UHFFFAOYSA-N 423.498 3.160 0 40 HGAB Cc1ccc(S(=O)(=O)n2nc(OC(=O)c3cccc4ccccc34)cc2N)cc1 4251542 QTSIOJOBSGRADR-UHFFFAOYSA-N 407.451 3.383 0 40 HGAB CCN(CCSc1ccc(C)c(C)c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 40135437 HBSWJZFAEHDSMN-UHFFFAOYSA-N 424.570 3.403 0 40 HGAB CC(=O)N1CCc2ccccc2[C@@H]1c1c(O)[nH]c(=S)n(Cc2ccccc2)c1=O 100749945 YKUUXYWYCVWXNH-LJQANCHMSA-N 407.495 3.154 0 40 HGAB biogenic CCNC(=S)N(Cc1ccc2c(c1)OCO2)Cc1cc2cc(C)ccc2[nH]c1=O 875020 UQYHEEPBBJOZCW-UHFFFAOYSA-N 409.511 3.462 0 40 HGAB CCOC(=O)C1=C(C)Nc2ncnn2[C@H]1c1cc(Br)ccc1OCC 959052 KXMJBSDMYGLJMH-HNNXBMFYSA-N 407.268 3.291 0 40 HGAB CC(C)c1ccc(NC(=O)CCNC(=O)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc1 2094559 AKCNARCKRKZAHX-MJGOQNOKSA-N 422.529 3.129 0 40 HGAB biogenic O=C(COC(=O)c1ccc(O)cc1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 3313940 IPEUIQLRELOSOC-UHFFFAOYSA-N 424.375 3.043 0 40 HGAB CCOC(=O)c1c(NC(=O)[C@@H](C)OC(=O)c2ccncc2)sc2c1CCCC2 3329284 CYWBDYSYVNFLIV-GFCCVEGCSA-N 402.472 3.383 0 40 HGAB COc1ccc(C2=NN(C(=O)CCC(=O)O)[C@H](c3cc(OC)ccc3OC)C2)cc1 5024963 RVZVQVFTMWXATN-IBGZPJMESA-N 412.442 3.255 0 40 HGAB COCCn1c(SCc2ccc(C(=O)OC)o2)nc2c([nH]c3ccccc32)c1=O 5106678 YDZNDWYSNJDABT-UHFFFAOYSA-N 413.455 3.196 0 40 HGAB CC[C@H](C)NC(=O)COC(=O)c1cc(-c2ccccc2)c(N2CCOCC2)s1 5292078 WDVWPTCCJDGXCD-HNNXBMFYSA-N 402.516 3.323 0 40 HGAB COc1ccc(C2=NO[C@]3(CC(=O)N(c4ccc(Cl)cc4)C3=O)C2)c(OC)c1 5341685 BLQNHVIXGJRTMI-FQEVSTJZSA-N 400.818 3.184 0 40 HGAB Cc1noc(C)c1COc1ccc(CC(=O)O[C@H](C)C(=O)NC2CCCC2)cc1 5678697 BPTDOBIGSRQCTH-MRXNPFEDSA-N 400.475 3.403 0 40 HGAB O=C(COC(=O)C(c1ccccc1)c1ccccc1)NCc1ccc2c(c1)OCO2 5861614 ISHFGALYGYVGQJ-UHFFFAOYSA-N 403.434 3.407 0 40 HGAB CCCCNC(=O)COc1ccc(S(=O)(=O)Nc2ccc(OCC)cc2)cc1 6023946 NPFVUGBYKNOOHG-UHFFFAOYSA-N 406.504 3.181 0 40 HGAB Cc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(Cc4ccco4)C3=O)c2C)nc1 6044616 CVWPOJMPXMGJKC-VCHYOVAHSA-N 404.426 3.053 0 40 HGAB CCOc1ccc(NC(=O)CNC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 6207585 LTURXBVWEVFUSW-UHFFFAOYSA-N 410.257 3.086 0 40 HGAB Cc1cccc(C)c1NC(=O)CNC(=O)CSc1ccc2c(c1)OCCCO2 6436967 FSYRJMPJHMMMSL-UHFFFAOYSA-N 400.500 3.312 0 40 HGAB CS(=O)(=O)c1ccccc1C(=O)O[C@@H](C(=O)N1CCCCC1)c1ccccc1 7186465 XWDOJFWILMQKAG-LJQANCHMSA-N 401.484 3.001 0 40 HGAB CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)NCCCSc2ccccc2)c1C 7474700 JMTYTUGJFFRFCF-UHFFFAOYSA-N 418.515 3.264 0 40 HGAB CCCCNS(=O)(=O)c1ccc(OCC(=O)N2CCCCCC2)c(Cl)c1 7604518 ASLCOHAQFWNOPH-UHFFFAOYSA-N 402.944 3.200 0 40 HGAB COc1ccc(OC)c(N2C[C@@H](C(=O)OCC(=O)c3ccc(C)c(C)c3)CC2=O)c1 7881568 BKLWKEIUSSGNEY-KRWDZBQOSA-N 411.454 3.100 0 40 HGAB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(OC)c(C)c2OC)C1=O 8088185 QXWGXWIAXZEZNJ-LDADJPATSA-N 423.469 3.106 0 40 HGAB CCS(=O)(=O)N1CCc2cc(C(=O)Nc3cc(OC)c(Cl)cc3OC)ccc21 8586853 SSWRHUAJLLDMMP-UHFFFAOYSA-N 424.906 3.322 0 40 HGAB O=C(COc1ccc2ccccc2c1)NC[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 8987373 LFHKEQOVIYKJSS-INIZCTEOSA-N 418.449 3.117 0 40 HGAB Cc1ccc(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@@]4(C(=O)Nc5c(Cl)cccc54)[C@@H]3C2=O)cc1 9209411 IPEAJXZTUBESII-DDOIHHOZSA-N 421.884 3.080 0 40 HGAB CC(=O)N1N=C(c2ccccc2NS(C)(=O)=O)C[C@H]1c1ccc2ncccc2c1 9378557 YHNOKULOXQVCFF-NRFANRHFSA-N 408.483 3.304 0 40 HGAB O=C(Cc1ccc2ccccc2c1)N1CCC(NS(=O)(=O)c2cccs2)CC1 9853597 YBWQETVUMRJHMH-UHFFFAOYSA-N 414.552 3.413 0 40 HGAB O=C(CCNC(=O)c1ccccc1)N/C=C1\C(=O)Nc2c(Cl)cc(Cl)cc21 9871585 XMDJMWCPKCXYBW-UVTDQMKNSA-N 404.253 3.223 0 40 HGAB CCOc1ccccc1CCCNC(=O)[C@H](C)N(c1ccc(F)cc1)S(C)(=O)=O 10111015 LTMMGFPTHXOPBS-INIZCTEOSA-N 422.522 3.128 0 40 HGAB CC(=O)Nc1ccc(NC(=O)CCCN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 10361890 NPBYSXINDQOHNR-UHFFFAOYSA-N 417.531 3.447 0 40 HGAB COc1ccc(N([C@H](C)C(=O)Nc2cccc(F)c2)S(C)(=O)=O)cc1Cl 10434125 BPHQYAWQYFQGRL-LLVKDONJSA-N 400.859 3.281 0 40 HGAB C[C@@H](CNC(=O)Cn1cnc2sccc2c1=O)c1nc2ccccc2n1C(F)F 10638577 FHCJAKQHDJYADF-NSHDSACASA-N 417.441 3.123 0 40 HGAB CCc1c(C)sc2ncn([C@H]3CCCN(C(=O)c4cnn(CC)c4C)C3)c(=O)c12 12184187 GQKSHPWLVDAUBK-HNNXBMFYSA-N 413.547 3.331 0 40 HGAB C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCC[C@@H](n3c(=O)oc4ccc(Cl)cc43)C2)C1 12184561 WDTZTVGVLFXGIB-BFYDXBDKSA-N 405.926 3.389 0 40 HGAB C[C@@H](OC(=O)c1cc(S(N)(=O)=O)ccc1Cl)C(=O)c1cccc(Cl)c1 12553368 UXOUVKBJRWPAFG-SECBINFHSA-N 402.255 3.069 0 40 HGAB Cc1cc(C)nc(SCCC(=O)N2CCC(c3noc(-c4ccccn4)n3)CC2)n1 12668800 PDICTWBLAGAACF-UHFFFAOYSA-N 424.530 3.427 0 40 HGAB CN1CCN(C(=O)CCSc2nc(-c3ccco3)cc(C(F)(F)F)n2)CC1 12844376 ZYADSDWQNLOWHD-UHFFFAOYSA-N 400.426 3.012 0 40 HGAB O=C(OCc1cc(-c2cccs2)on1)c1cccc(N2CCCS2(=O)=O)c1 12893946 SOCBDHFPEBUBMF-UHFFFAOYSA-N 404.469 3.300 0 40 HGAB C[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2CCC(Cc3ccccc3)CC2)C1=O 12906591 FHOYQYAMVQJGHQ-DEOSSOPVSA-N 423.488 3.074 0 40 HGAB C[C@H](NC(=O)c1ccc2[nH]c3c(c2c1)C[C@H](C)CC3)c1ccc(S(N)(=O)=O)cc1 12974244 SJNXVNQXATWRDI-KGLIPLIRSA-N 411.527 3.431 0 40 HGAB Cc1nc(N2CCC(NS(C)(=O)=O)CC2)c2c(-c3cccs3)csc2n1 12984537 AGVASHFTGMHELB-UHFFFAOYSA-N 408.574 3.246 0 40 HGAB O=C(Cc1n[nH]c(=O)c2ccccc12)NC[C@H](c1ccccc1Cl)N1CCCC1 13001544 JOZUWPIWSNXBEX-HXUWFJFHSA-N 410.905 3.072 0 40 HGAB O=C(NCCNS(=O)(=O)c1cc(Cl)ccc1Cl)c1cc2ccccc2[nH]1 13734998 GWASRIBDAMOUDL-UHFFFAOYSA-N 412.298 3.183 0 40 HGAB O=C(c1ccccc1Cl)N1CCN([C@H](C(=O)N2CCCC2)c2ccccc2)CC1 13988321 NTYXYNWNAZQACX-NRFANRHFSA-N 411.933 3.462 0 40 HGAB O=C(CN(Cc1ccccc1Cl)S(=O)(=O)c1ccccc1F)N1CCCC1 14353646 FOFRCWYUKYCLHG-UHFFFAOYSA-N 410.898 3.292 0 40 HGAB O=C(CCCc1nc(-c2ccccc2)no1)Nc1ccc(C(=O)N2CCOCC2)cc1 15669598 SVCVBDBIXMDDQW-UHFFFAOYSA-N 420.469 3.170 0 40 HGAB COc1ccc(C(C)=O)cc1CS(=O)(=O)CC(=O)N[C@H]1CCCc2ccccc21 16685313 CVFJCSUMDYGHFB-FQEVSTJZSA-N 415.511 3.006 0 40 HGAB Cc1ccn(CCC(=O)NCCn2nc(-c3ccc(F)cc3)cc2-c2cccnc2)n1 19238109 XLYSDSYJXFKSCI-UHFFFAOYSA-N 418.476 3.463 0 40 HGAB Cn1ccnc1-c1nn(CCNC(=O)Cc2ccccc2)cc1-c1ccc(F)cc1 19291560 OGUKHQIWPYNMSA-UHFFFAOYSA-N 403.461 3.449 0 40 HGAB CCN(C(=O)c1c[nH]nc1C1CCN(C(=O)c2cccnc2)CC1)c1ccccc1 19526683 RDCNQRJOXNCZRY-UHFFFAOYSA-N 403.486 3.491 0 40 HGAB CCN1CCN(C(=O)CCOC)C[C@@H](Cc2cccc(-c3ccc(F)cc3)c2)C1=O 19527464 IHPSXPDVUOMAHK-OAQYLSRUSA-N 412.505 3.379 0 40 HGAB Cc1nn(C)cc1C(=O)N1CCC[C@H](c2nc(N(C)C)ncc2-c2cccc(F)c2)C1 19694064 HJOYJFHSXFWHSG-KRWDZBQOSA-N 422.508 3.410 0 40 HGAB CN(C)c1ncc(-c2cccc(C(N)=O)c2)c([C@H]2CN(C3CCCCC3)CCO2)n1 19694887 MTECMPWDAZWPOZ-HXUWFJFHSA-N 409.534 3.015 0 40 HGAB CCn1nccc1C(=O)N1CCC[C@@H](N(C)C(=O)c2nccc3ccccc23)CC1 19749858 QSMSPVPBUSZPEF-GOSISDBHSA-N 405.502 3.218 0 40 HGAB Cc1cc(S(=O)(=O)N2CCCCC2)ccc1OCC(=O)Nc1ccc(F)c(F)c1 20022080 WXONDWSPQYVANZ-UHFFFAOYSA-N 424.469 3.465 0 40 HGAB COc1ccc(CN(CCCN2CCOCC2)C(=O)Nc2ccccc2)cc1OC 20358178 JGTSZZZMOHLHKB-UHFFFAOYSA-N 413.518 3.460 0 40 HGAB COC(=O)c1ccc(OCc2noc(C(=O)NCc3ccccc3Cl)n2)cc1 20715308 YBWOFCZDKYETTM-UHFFFAOYSA-N 401.806 3.019 0 40 HGAB COc1cccc([C@@]2(C)NC(=O)N(C[C@H](O)COc3ccc4ccccc4c3)C2=O)c1 24086972 JDJQIGWCLHCYNA-YADARESESA-N 420.465 3.055 0 40 HGAB O=C(OCCN1C(=O)c2ccccc2C1=O)c1csc(NCc2ccccc2)n1 24779203 FOWGXGZJPJPVCY-UHFFFAOYSA-N 407.451 3.208 0 40 HGAB CN(Cc1cccc(Cl)c1Cl)C(=O)CCn1c(=O)[nH]c(=O)c2ccccc21 24832581 APSCTJBPJPBZOS-UHFFFAOYSA-N 406.269 3.045 0 40 HGAB CN(CCn1nc2ccccn2c1=O)Cc1cn(-c2ccccc2)nc1-c1ccccc1 26905981 CZNGOHISZGJRLQ-UHFFFAOYSA-N 424.508 3.481 0 40 HGAB CNS(=O)(=O)c1ccc(CCC(=O)Nc2nc(-c3cccc(F)c3)cs2)cc1 29354721 JRTKQNQBDMBJGY-UHFFFAOYSA-N 419.503 3.429 0 40 HGAB C[C@H]1C[C@@H](C)CN([C@@H](C(=O)O)c2c[nH]c3cc(NC(=O)CCC(=O)O)ccc23)C1 31818454 JTIIMYXIPJVYIM-MTJIALIYSA-N 401.463 3.075 0 40 HGAB Cc1nnc2ccc(N3CCC(C(=O)Nc4ccc(C(F)(F)F)cc4)CC3)nn12 32104454 PJPPTJITFRTFGS-UHFFFAOYSA-N 404.396 3.307 0 40 HGAB O=C(CCn1nnc2ccccc2c1=O)NCc1cccc(Oc2ccccc2)c1 32362462 XWRBGMPTUMKWQN-UHFFFAOYSA-N 400.438 3.290 0 40 HGAB CCN(C(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1)c1ccc(F)cc1 32738377 RQZWBEJAIALIMK-HZPDHXFCSA-N 420.506 3.290 0 40 HGAB CN(Cc1ccccc1NC(=O)Cn1nnc2ccccc2c1=O)C1CCCCC1 32900675 NACVPIFLSIXZMB-UHFFFAOYSA-N 405.502 3.195 0 40 HGAB Cc1cccc(C2=NC3(CCN(CC(=O)Nc4ccc(C(C)C)cc4)CC3)NC2=O)c1 35430704 AVZCVNYTHLYLBD-UHFFFAOYSA-N 418.541 3.468 0 40 HGAB biogenic COc1ccc(-c2nnsc2C(=O)Nc2cc(OC)c(OC)c(OC)c2)cc1 36359437 FXMIFDDLUOTZSM-UHFFFAOYSA-N 401.444 3.492 0 40 HGAB CC(C)Cc1nnc(NC(=O)c2ccc(-n3nnc4ccccc4c3=O)cc2)s1 36360004 SPCDJKFBNOJTCX-UHFFFAOYSA-N 406.471 3.083 0 40 HGAB CNC(=O)c1cn(C)c(-c2nc3cc(NC(=O)C4CCCC4)ccc3n2C)c1OC 36369897 CQABSUXNPFXVTA-UHFFFAOYSA-N 409.490 3.076 0 40 HGAB biogenic Cn1nc(NC(=O)c2cc(=O)c3ccccc3o2)c2c1NC(=O)C[C@@H]2c1cccs1 36705606 LJLVWMRERNXFIZ-GFCCVEGCSA-N 420.450 3.314 0 40 HGAB CCSc1nnc(NC(=O)C2CCN(Cc3nc4ccccc4[nH]3)CC2)s1 38489449 DWUNKRTZDVENKA-UHFFFAOYSA-N 402.549 3.377 0 40 HGAB O=C(/C=C/c1ccccc1F)N1CCN(C(=O)COc2ccc(Cl)cc2)CC1 40156824 OCRICGQLJNVLOZ-BJMVGYQFSA-N 402.853 3.242 0 40 HGAB O=C(OCc1nnc(-c2ccc(Cl)cc2)o1)[C@H]1CCCN(C(=O)N2CCCC2)C1 41694554 DBWJACKTJPZELA-HNNXBMFYSA-N 418.881 3.361 0 40 HGAB COc1ccccc1CN(C)C(=O)[C@@H](C)N(c1ccc(Cl)cc1)S(C)(=O)=O 44840208 ANWMOMYQGMPYLC-CQSZACIVSA-N 410.923 3.162 0 40 HGAB O=S(=O)(Cc1coc(-c2cccs2)n1)Cc1nc(Cc2ccccc2)no1 48261805 BEFIAUCHWYAQOO-UHFFFAOYSA-N 401.469 3.492 0 40 HGAB O=c1n(Cc2nc(-c3ccc(Cl)cc3)no2)nc2ccc(-c3ccccc3)nn12 49399471 AQQSPDVCOVIRAY-UHFFFAOYSA-N 404.817 3.310 0 40 HGAB O=S(=O)(NC[C@H](c1cccs1)N1CCCCCC1)c1ccc2c(c1)OCO2 49611759 NHQYKAKJOLYWQH-MRXNPFEDSA-N 408.545 3.372 0 40 HGAB C[C@H](NS(=O)(=O)c1cccs1)C(=O)Nc1ccc2oc(C(C)(C)C)nc2c1 56909180 JOZGUHHJDIZPBW-NSHDSACASA-N 407.517 3.492 0 40 HGAB COc1cccc(-c2csc3ncc(C(=O)NCc4ccccc4OC)c(=O)n23)c1 64787960 JXMYVVSNLXDPHH-UHFFFAOYSA-N 421.478 3.370 0 40 HGAB O=C(NCc1ccccc1F)c1cn(-c2ccc(-c3nc(C4CC4)no3)cn2)cn1 65251115 WALRNOKQYVXVGU-UHFFFAOYSA-N 404.405 3.264 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2cncc(Nc3ncccn3)n2)cc1C 72376382 SQGBABQSKSEQQS-SFHVURJKSA-N 410.503 3.153 0 40 HGAB COc1ccc(NC(=O)c2nnn(-c3ccc(OC(F)(F)F)cc3)n2)cc1Cl 77100462 CNNWFWDHMDIIQA-UHFFFAOYSA-N 413.743 3.475 0 40 HGAB CC(C)(C)OC(=O)N[C@H]1CCCCCC[C@@H]1C(=O)NCCc1nnc2ccccn12 79098517 ZAVDMSDWALSNEH-IRXDYDNUSA-N 415.538 3.252 0 40 HGAB O=C(CC1(Cn2cnnn2)CCCCC1)NCCc1nc(-c2ccccc2)cs1 79485087 XNRLIRQOBWKDGQ-UHFFFAOYSA-N 410.547 3.496 0 40 HGAB Cn1cc(-c2ccccc2CNC(=O)CNC(=O)c2cc3c(s2)CCCC3)cn1 89756588 FWWQHIIFQHWUGE-UHFFFAOYSA-N 408.527 3.074 0 40 HGAB O=C(Nc1c[nH]nc1-c1ccccc1)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O 89847965 CSWUTMLAMAWHMZ-MRXNPFEDSA-N 416.437 3.104 0 40 HGAB O=C1c2ccccc2N2C(=O)CC[C@@]2(C(=O)N[C@@H]2C=CCCC2)N1Cc1ccccc1 95939832 PLVGSXPZQYZQOR-KBMIEXCESA-N 415.493 3.391 0 40 HGAB COc1ccc(CNC(=O)CN2C(=O)c3ccccc3Oc3ncccc32)cc1OC 96118894 RNIQZTDLIKAWCL-UHFFFAOYSA-N 419.437 3.168 0 40 HGAB Cc1cc(=O)n2c(n1)SC[C@@H]2CC(=O)NCc1sc(-c2cccs2)nc1C 96342609 PSRUXXDTMJTTEC-LBPRGKRZSA-N 418.569 3.398 0 40 HGAB COc1cc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3ON2c2ccccc2)ccc1O 100452237 RSIDXQXEVZMSGK-VSKRKVRLSA-N 416.433 3.452 0 40 HGAB O=C(COC(=O)c1ccccc1N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)c1ccc(F)cc1 101226723 UKKQFLFUYMUOOZ-LATRNWQMSA-N 421.424 3.401 0 40 HGAB CCOc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)cc1 104128684 SOPLRAAYGYBAMZ-QGZVFWFLSA-N 410.470 3.237 0 40 HGAB COc1ccc(NS(=O)(=O)c2ccc(OC)c(I)c2)cc1 108062394 BTDBEBVHDNRXEA-UHFFFAOYSA-N 419.240 3.109 0 40 HGAB Cc1ccc(OC[C@@H](C)NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)cc1 219258738 JROHUNXEZDSURG-IAGOWNOFSA-N 422.572 3.041 0 40 HGAB COc1ccc(N(C)C(=O)CCc2ccc(S(=O)(=O)NCC(C)C)cc2)cc1 222846753 VUKRYFQRJRXVFR-UHFFFAOYSA-N 404.532 3.225 0 40 HGAB CCC(=O)N(Cc1ccc(OC)cc1)[C@@H](Cc1ccccc1)C(=O)NC[C@@H]1CCCO1 223264397 VYPHJFOEQRQGDO-GOTSBHOMSA-N 424.541 3.340 0 40 HGAB COc1cc(CNS(=O)(=O)c2ccc3c(c2)CCC(C)(C)O3)cc(OC)c1OC 223706749 CZWMMTHKBOGVEX-UHFFFAOYSA-N 421.515 3.295 0 40 HGAB COc1cc(OC)cc(C(=O)Nc2cnc(N3CCN(c4ccccc4)CC3)nc2)c1 224257447 FRVVJCKLJXTBKI-UHFFFAOYSA-N 419.485 3.073 0 40 HGAB CCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CCc1ccc2c(c1)OCCO2 224628217 VUUMTMREBIHAJA-OAQYLSRUSA-N 424.541 3.376 0 40 HGAB CCOC(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(OC)c(C)c1 224638393 BWLCCEIRNFKTQG-UHFFFAOYSA-N 407.488 3.161 0 40 HGAB CCOc1ccccc1CCCNC(=S)Nc1cccc(N(C)S(C)(=O)=O)c1 225396572 OKYCNGFFDPGZOB-UHFFFAOYSA-N 421.588 3.400 0 40 HGAB Cc1c(Cl)cccc1S(=O)(=O)NC[C@H](c1ccco1)N1CCSCC1 244950789 FLSMQLKXKGXIEE-OAHLLOKOSA-N 400.953 3.310 0 40 HGAB COc1ccc(CCNC(=O)[C@H]2C[C@H]3CC[C@H]2C[C@]32NC(=O)c3ccccc3O2)cc1 247911651 KTVSJXZCKHYJBB-FHHVHTCRSA-N 420.509 3.309 0 40 HGAB O=C(O)CCC(=O)N[C@@H]1CCC[C@@H](Oc2cccc(F)c2Oc2ccccc2)[C@@H]1O 257267223 MGLFFUZTCCTYPU-CBGDNZLLSA-N 417.433 3.260 0 40 HGAB CCN(CC)C[C@H]1CC2(CCN(C(=O)c3sc(Br)nc3C)CC2)O1 306136419 PSWAAQSKRIYQCT-CYBMUJFWSA-N 416.385 3.320 0 40 HGAB CCOc1ccccc1NC(=O)c1cnc(NS(=O)(=O)c2ccc(C)cc2)nc1 408533733 RZKURSRXOFXQFE-UHFFFAOYSA-N 412.471 3.237 0 40 HGAB CCOc1ccc(S(=O)(=O)N2CCN(c3ccccc3OC)CC2)cc1Cl 408598122 XDCLQQYAYJYLET-UHFFFAOYSA-N 410.923 3.258 0 40 HGAB CCOc1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2cc(Cl)ccc2OC)cc1 408617497 DAERFPHXMMJPJZ-LBPRGKRZSA-N 412.895 3.053 0 40 HGAB COc1ccc(C(=O)N(C)Cc2nnc(-c3ccc(OC)c(OC)c3)o2)cc1OC 408714312 NYXIXDDUOCMVHZ-UHFFFAOYSA-N 413.430 3.043 0 40 HGAB COc1cc(C)c(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)cc1OC 409210410 JQGWSVPSNFILJN-BOPFTXTBSA-N 404.488 3.061 0 40 HGAB Cc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(=O)N[C@H](C)c1ccccc1 409388595 FANXGRYFHQTZIV-QGZVFWFLSA-N 402.516 3.036 0 40 HGAB C[C@H](NC(=O)c1csc(-c2ncccc2F)n1)C1(N2CCOCC2)CCCC1 507556872 XQVSNRODJLFUJM-AWEZNQCLSA-N 404.511 3.108 0 40 HGAB O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCC[C@@H](Oc2ncc(Cl)cn2)C1 575608039 DABIWAPWHCQDEZ-CYBMUJFWSA-N 421.828 3.381 0 40 HGAB COc1ccc(CN2C=C(c3nc(-c4ccccc4)no3)C(C)=NS2(=O)=O)cc1 583649069 TWYDQMWEEKRMJD-UHFFFAOYSA-N 410.455 3.308 0 40 HGAB COc1cc(F)ccc1C(=O)N1CCc2ncc(-c3cccc4c3CN(C)C4)n2CC1 585111403 SIBHMALFINGULF-UHFFFAOYSA-N 420.488 3.342 0 40 HGAB Cc1ccc(-n2nc(C(=O)NCc3cc4c(nc3O)CCC4)c3c2CCC3)c(C)c1 603357363 YBAULRQMGKIMEE-UHFFFAOYSA-N 402.498 3.497 0 40 HGAB COc1ccc(CN2CC[C@@H](Nc3nc(-c4ccccn4)nc4c3CCC4)C2=O)cc1 604883086 NTOKTJLJTRIVPD-OAQYLSRUSA-N 415.497 3.249 0 40 HGAB O=S(=O)(Nc1ccn(-c2ncccc2F)n1)c1ccc(OC(F)(F)F)cc1 677550074 IFNGIJKNTWRPTP-UHFFFAOYSA-N 402.329 3.106 0 40 HGAB CCOC(=O)c1c(C)n(C)c2ccc(O)c(S(=O)(=O)c3ccc(OC)cc3)c12 862725 DIJHCWSRUVWRJQ-UHFFFAOYSA-N 403.456 3.210 0 40 HGAB C[C@@H](OC(=O)CCc1nc2ccccc2s1)C(=O)NCc1ccc2c(c1)OCO2 2616281 XTEFLOOBTGHQJY-CYBMUJFWSA-N 412.467 3.206 0 40 HGAB COc1ccc(CNC(=O)COC(=O)/C=C/c2ccc(OC(F)F)cc2)cc1OC 3359888 QQYJZKXMUDXOLR-UXBLZVDNSA-N 421.396 3.178 0 40 HGAB COC(=O)c1ccc(COC(=O)[C@@H]2Cc3ccccc3CN2C(=O)c2ccco2)cc1 3377427 KARMUHMYBCUXFF-FQEVSTJZSA-N 419.433 3.377 0 40 HGAB COc1ccc(CNC(=O)[C@H](C)Sc2nnc(-c3ccc(F)cc3)n2C)cc1 3390542 OCLUPJMXPFFWNC-ZDUSSCGKSA-N 400.479 3.427 0 40 HGAB COc1ccccc1NC(=O)CNc1ccc(S(=O)(=O)N2CCCCCC2)cc1 3432586 WRRVZDAQBRQXNS-UHFFFAOYSA-N 417.531 3.311 0 40 HGAB Cc1nn(Cc2ccccc2)c(C)c1C(=O)OCC(=O)Nc1ccc2c(c1)OCO2 3499852 KEXNKQCAOILGJL-UHFFFAOYSA-N 407.426 3.072 0 40 HGAB CCCCn1c(O)c([C@@H]2NCCc3c2[nH]c2ccc(OC)cc32)c(=O)[nH]c1=S 3985165 XFYHOAUDFPRDPW-KRWDZBQOSA-N 400.504 3.137 0 40 HGAB biogenic C[C@]12C(=O)N(c3ccccc3C(=O)NC3CC3)C(=O)N1CCc1c2[nH]c2ccccc12 4073503 LDDUBPASZDDYBY-DEOSSOPVSA-N 414.465 3.300 0 40 HGAB biogenic COc1cc(OC)cc(C(=O)N(c2ccc(Cl)cc2)[C@H]2C=CS(=O)(=O)C2)c1 4165226 FBUYZGIETIBEQD-INIZCTEOSA-N 407.875 3.315 0 40 HGAB CCCCn1c(SCC(=O)Nc2nnc(CC)s2)nc2ccccc2c1=O 4187601 QDDCAUKQAASSAS-UHFFFAOYSA-N 403.533 3.341 0 40 HGAB aggregator Cc1cc(SCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)nc2c(C)cccc12 4801472 FRZIHPGTHHHHPK-UHFFFAOYSA-N 412.515 3.230 0 40 HGAB COc1cccc(-c2ccc(=O)n(CC(=O)Nc3ccccc3Br)n2)c1 4968161 ZUEYOGFUNOTNMU-UHFFFAOYSA-N 414.259 3.320 0 40 HGAB C[C@H]1CN(S(=O)(=O)c2cccc(-c3cn4cc(Cl)ccc4n3)c2)C[C@H](C)O1 6163802 DJAGVTKPIZTOFG-KBPBESRZSA-N 405.907 3.453 0 40 HGAB CCOc1ccc(NC(=O)Cn2cnc3ccc(Cl)cc3c2=O)cc1OCC 6553371 SSIGNYQKBOMDPE-UHFFFAOYSA-N 401.850 3.486 0 40 HGAB COc1ccc(-c2cc(=O)oc3c(C)c(OCC(=O)NCCCN(C)C)ccc23)cc1 6623808 BBYFWIHZNSBIGN-UHFFFAOYSA-N 424.497 3.224 0 40 HGAB biogenic Cc1ccc(OCC(=O)N(Cc2sccc2C)[C@@H]2CCS(=O)(=O)C2)cc1C 6810242 VEUZQSRFPAWOAF-QGZVFWFLSA-N 407.557 3.268 0 40 HGAB CN(C)Cc1ccccc1CNC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 6992443 SVGBYZXYJHUQNM-UHFFFAOYSA-N 423.538 3.479 0 40 HGAB O=C(CC[C@@H]1N=C2c3ccccc3NC(=S)N2C1=O)NCc1cccc(Cl)c1 8381984 LULSTIQEAHVZKF-INIZCTEOSA-N 412.902 3.104 0 40 HGAB C[C@@H]1CCc2c(sc3nnn(CCCCN4C(=O)c5ccccc5C4=O)c(=O)c23)C1 8717894 JFOKGXLQOJUPFO-CYBMUJFWSA-N 422.510 3.054 0 40 HGAB CCn1nc(C(=O)N[C@H](c2ccc3c(c2)OCCO3)C(C)C)c2ccccc2c1=O 8935899 HBSYITROWJLVHF-FQEVSTJZSA-N 407.470 3.315 0 40 HGAB CC/C(Nc1cc(OC)ccc1OC)=C1/C(=O)NC(=O)N(C2CCCCC2)C1=O 9016121 RHKJAQCBNZLOHK-OBGWFSINSA-N 401.463 3.191 0 40 HGAB CC(=O)c1ccccc1NCC(=O)NCC(=O)Nc1ccc(Br)cc1C 9339083 QUKATWHUTYPTAA-UHFFFAOYSA-N 418.291 3.127 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccc2nccnc2c1 9515399 YLMGXXMPAFQKQH-UHFFFAOYSA-N 410.499 3.365 0 40 HGAB Cc1ccc(-c2cc(C(=O)N(Cc3ccccc3)[C@@H]3CCS(=O)(=O)C3)no2)cc1 11917534 JWUJGQFTHIFSSV-LJQANCHMSA-N 410.495 3.480 0 40 HGAB COc1ccc(-c2cc3nc([C@@H](C)NC(=O)COc4ccccc4F)nn3cn2)cc1 12085099 BLRHFNAUIXCUST-CQSZACIVSA-N 421.432 3.195 0 40 HGAB CCOc1cc2c(cc1CNC(=O)[C@@H]1CCCN1C(=O)c1cccs1)O[C@H](C)C2 12601346 ZDKUKQLDOURVAX-PBHICJAKSA-N 414.527 3.391 0 40 HGAB C/C=C/c1ccc(OCC(=O)NC[C@H](c2cccs2)N2CCOCC2)c(OC)c1 12753185 ZABNCLQJCGODFX-YWPBOTNQSA-N 416.543 3.358 0 40 HGAB CN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 12756944 WDJAHKFRZXRTLV-UHFFFAOYSA-N 412.555 3.235 0 40 HGAB Cc1cc(C)c(NC(=O)CNC(=O)CCn2c(=O)oc3cc(Cl)ccc32)c(C)c1 12907874 HWRHPJNVRDXJBJ-UHFFFAOYSA-N 415.877 3.318 0 40 HGAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)C(=O)[C@@H](C)Sc1ccccc1 12936461 OZSZFFWFLIZVQY-JKSUJKDBSA-N 411.527 3.390 0 40 HGAB CCCn1c(SCCN2CCOC2=O)nc2ccc(Br)cc2c1=O 12985480 IAQYJXGZRIAONV-UHFFFAOYSA-N 412.309 3.113 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2nc3c(s2)CCCC3)s1 12986473 FHQPVOPJBAFNRW-CYBMUJFWSA-N 411.574 3.184 0 40 HGAB Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)N[C@H]1CCS(=O)(=O)C1 13005716 REPQMBWUEYJVPA-LBPRGKRZSA-N 404.435 3.054 0 40 HGAB CCCCOc1ccc(C(=O)NCC(=O)NC2CCN(Cc3ccccc3)CC2)cc1 13022580 LCNQBCVJISDJER-UHFFFAOYSA-N 423.557 3.376 0 40 HGAB O=C(COc1ccc2nc3n(c(=O)c2c1)CCC3)Nc1ccc(Br)cc1 13693669 MBQAKIYCWVDPRF-UHFFFAOYSA-N 414.259 3.123 0 40 HGAB COc1ccc([C@H](CC(N)=O)N2C(=O)c3ccccc3C2=O)cc1OC1CCCC1 13911006 DDYUBCCTNHWSQM-SFHVURJKSA-N 408.454 3.229 0 40 HGAB CCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)CC(=O)Nc1c(C)cccc1C 16558092 KBTHWOKSDUSHRW-UHFFFAOYSA-N 424.545 3.039 0 40 HGAB COC(=O)[C@H](C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)NC(=O)OCc1ccccc1 16697312 BRROATQELOFYBR-ROUUACIJSA-N 420.506 3.492 0 40 HGAB in-vitro O=C(Nc1nc(CC(=O)N2CCN(c3ccccc3)CC2)cs1)NC1CCCC1 17190231 OXQBSPKCQPLMIS-UHFFFAOYSA-N 413.547 3.099 0 40 HGAB O=C(c1ccncc1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)CN(CC1CCCCC1)CC2 19404848 GXQNUPWCNVUXDK-OAQYLSRUSA-N 421.545 3.081 0 40 HGAB O=C(c1ccncc1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CN(C1CCCCC1)CC2 19404888 NYGXBHRAVJODGZ-NRFANRHFSA-N 421.545 3.223 0 40 HGAB CCN1CCN(C(=O)c2nccn2C)C[C@@H](Cc2ccc(-c3ccccc3)cc2)C1=O 19527336 VREMVAMPBJXYHY-JOCHJYFZSA-N 416.525 3.250 0 40 HGAB CCOc1cc(CN2[C@H]3CC[C@@H]2c2cnc(N4CCCC4)nc2C3)ccc1OCCO 19532270 BWKDWAGFTUJZPT-GHTZIAJQSA-N 424.545 3.108 0 40 HGAB Cc1cc(-c2cnc(N)nc2)cc([C@@H]2CCCN2CC(=O)Nc2ccc(F)cc2)n1 19690948 DAVKQBSDCBMBAH-FQEVSTJZSA-N 406.465 3.344 0 40 HGAB CNC(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CCN(C(=O)c2ccc(F)cc2)C1 19695754 IHSRTNJILGPPQX-HSZRJFAPSA-N 407.445 3.302 0 40 HGAB COC(=O)[C@@](NC(=O)c1ccccc1C)(Nc1ccc(Cl)cn1)C(F)(F)F 19949715 YPAWGAFZEVHSPK-INIZCTEOSA-N 401.772 3.317 0 40 HGAB COC(=O)c1ccc(Cl)c(NC(=O)c2cc(NS(C)(=O)=O)ccc2Cl)c1 20106406 OTXAFCPHZZACSG-UHFFFAOYSA-N 417.270 3.404 0 40 HGAB COc1ccc([C@H](c2nnnn2C(C)(C)C)N2CCN(c3ccccc3F)CC2)cc1 20139475 HOTWFIDPHYKLMM-OAQYLSRUSA-N 424.524 3.487 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(CCC(=O)N2CCc3ccccc3C2)cc1 20887073 NEBAORUMPRNZSK-UHFFFAOYSA-N 400.544 3.235 0 40 HGAB COC(=O)C[C@H](NC(=O)c1ccc(OCc2noc(C)n2)cc1)c1ccc(C)cc1 21442636 SEVHYEHWCRQGKO-IBGZPJMESA-N 409.442 3.300 0 40 HGAB CC1CCN(C(=O)COc2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)CC1 22231248 DHEZIQQXMZRUJK-UHFFFAOYSA-N 416.543 3.290 0 40 HGAB COc1ccc([C@H](C)NC(=O)[C@H](C)N(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 22528430 RUJOFFJBHFYQEN-IRXDYDNUSA-N 404.532 3.344 0 40 HGAB CCn1cccc(-c2nnc(SCC(=O)Nc3ccc(C)c(Cl)c3)n2C)c1=O 23136387 ZOIXNGXEWIRXCN-UHFFFAOYSA-N 417.922 3.356 0 40 HGAB O[C@H](COc1cccc(Br)c1)CN1CCN(c2ccccc2F)CC1 23386866 YCSAQCSWONFMLP-INIZCTEOSA-N 409.299 3.150 0 40 HGAB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)c1ccc(N2C(=O)CCC2=O)cc1 27015866 BJOHMQJFTZQJMO-UHFFFAOYSA-N 416.481 3.132 0 40 HGAB Cc1cccc(NS(=O)(=O)c2cc(NC(=O)c3cccc(C(N)=O)c3)ccc2C)c1 28409708 DODYZMSVZYZLNK-UHFFFAOYSA-N 423.494 3.455 0 40 HGAB COc1ccc(OC)c(Nc2nc(Nc3ccccc3)nc(N3CCOCC3)n2)c1 32603949 WXLUUUXKCITECJ-UHFFFAOYSA-N 408.462 3.213 0 40 HGAB O=C(NCc1ccc(Cn2ccnc2)cc1)[C@@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 32795815 BSFQOAIJZOLCSD-JOCHJYFZSA-N 414.509 3.089 0 40 HGAB CC(C)[C@H](NC(=O)NCc1cccnc1-n1ccnc1)c1ccc2c(c1)OCCO2 32803407 ODDRCMQIXJYFRX-FQEVSTJZSA-N 407.474 3.235 0 40 HGAB CC(=O)N1CCc2cc(C(=O)[C@H](C)OC(=O)c3cc(-c4ccccc4)[nH]n3)ccc21 32837672 DYESYWOLLIDYEJ-AWEZNQCLSA-N 403.438 3.414 0 40 HGAB CCCS(=O)(=O)N1CCc2ccc(NC(=O)c3cccnc3SC)cc2C1 38714561 PGDQAKKMTUUVOC-UHFFFAOYSA-N 405.545 3.154 0 40 HGAB COCCNC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2cccc(C(C)C)c2)C1 40059551 SNKVELUGUGSWNJ-GOSISDBHSA-N 423.513 3.178 0 40 HGAB C[C@H]1C[C@H](C)CN(C(=O)c2ccccc2NC(=O)CNC(=O)Cc2ccccc2)C1 40091119 SKAIEKSPAXTRFM-ROUUACIJSA-N 407.514 3.102 0 40 HGAB O=C(CN1CCN(C(=O)c2cc(Cl)ccc2F)CC1)Nc1cc(F)ccc1F 40120057 YFJPQWAEUNMLGJ-UHFFFAOYSA-N 411.811 3.154 0 40 HGAB O=C1C[C@H](C(=O)Nc2cccc(Cl)c2)c2c(nc(Nc3ccccc3)[nH]c2=O)N1 40284961 MWNYMZBKOUGINW-AWEZNQCLSA-N 409.833 3.231 0 40 HGAB C[C@@H](NC(=O)CCn1nc(-c2ccc3c(c2)OCO3)ccc1=O)c1ccc(F)cc1 41253870 VNKKGQRTYSKLBP-CQSZACIVSA-N 409.417 3.046 0 40 HGAB CC(C)Cn1c(=O)c2sccc2n2c(CCC(=O)NCc3cccs3)nnc12 45895863 RELGOMBLCGYMMJ-UHFFFAOYSA-N 415.544 3.072 0 40 HGAB Cc1nc(COc2ccc(F)cc2)sc1C(=O)NCc1cccnc1-n1cncn1 48252040 CTNPUUWIIWCALN-UHFFFAOYSA-N 424.461 3.075 0 40 HGAB CC[C@@H](NC(=O)CCN1C(=O)c2ccccc2C1=O)c1nc(-c2ccccc2)c[nH]1 48302591 MLTXAWKEYGURKT-GOSISDBHSA-N 402.454 3.330 0 40 HGAB CCS(=O)(=O)Nc1ccccc1C(=O)NCc1ccc(CN2CCCCC2)cc1 58066234 APMKHWLRFPCCLA-UHFFFAOYSA-N 415.559 3.364 0 40 HGAB CCc1ccc(NC(=O)Cn2nc3c4c5c(sc4ncn3c2=O)C[C@@H](C)CC5)cc1 64945881 IBBCNDIJMZVKKW-ZDUSSCGKSA-N 421.526 3.432 0 40 HGAB Cc1nc(C(=O)N[C@@H](C)c2cccc3ccccc23)nn1-c1nnc(C(F)(F)F)[nH]1 72259913 XCTGBVCREDXCHT-JTQLQIEISA-N 415.379 3.357 0 40 HGAB C[C@@H](OC(=O)CCS(=O)(=O)C1CCCC1)[C@@H]1CCCCN1C(=O)OC(C)(C)C 72310731 KJTHHBYAEFGVLD-WBVHZDCISA-N 417.568 3.455 0 40 HGAB COc1cccc(CC(=O)N2CCC[C@@H](c3ccnc4nc(C(F)(F)F)nn34)C2)c1 72334993 FCIPABSDELVYJH-CQSZACIVSA-N 419.407 3.100 0 40 HGAB COC(=O)CCN(C[C@H]1CCCO1)c1cc(C(F)(F)F)nc(-c2cccnc2)n1 83891236 ZXGNTPUMMYLFIA-CQSZACIVSA-N 410.396 3.106 0 40 HGAB C[C@@H]1Oc2ccccc2O[C@H]1C(=O)OCC(=O)c1cnc(N2CCCCC2)s1 84678446 ZFMLVBMABOIBSD-SCLBCKFNSA-N 402.472 3.088 0 40 HGAB Cc1ccc2c(O)c(C(=O)N3CCC[C@@H](n4nccc4C(F)(F)F)C3)cnc2n1 95466770 BFODEYMFFBGBGT-GFCCVEGCSA-N 405.380 3.336 0 40 HGAB Cc1noc(-c2ccccc2)c1NC(=O)c1ccc2c(c1)S(=O)(=O)N(C1CC1)C2=O 95941697 SMNAIKGYBGNPJY-UHFFFAOYSA-N 423.450 3.209 0 40 HGAB COc1ccc(Cc2nnc(SCC(=O)N[C@H]3C[C@@H]4CC[C@@H]3C4)o2)cc1OC 100479632 AKNIVHZZTBIQEY-YUELXQCFSA-N 403.504 3.075 0 40 HGAB Cc1ccccc1-c1noc(CN2N=N[C@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@@H]32)n1 101262295 JQTMNOFDAHXYPY-IAGOWNOFSA-N 422.832 3.192 0 40 HGAB CC/C(Nc1ccc(Nc2ccccc2)cc1)=C1/C(=O)NC(=S)N(CCOC)C1=O 105210079 NTQOPBCVDZPWBX-VHEBQXMUSA-N 424.526 3.396 0 40 HGAB CCOc1ccc(CCCNC(=O)[C@@H](CC)N(c2ccccc2)S(C)(=O)=O)cc1 219084925 CURKZJABJIICNF-OAQYLSRUSA-N 418.559 3.379 0 40 HGAB C[C@@H](C(=O)NCc1cccc(C(F)(F)F)c1)N(c1ccc(F)cc1)S(C)(=O)=O 222865596 WVSBMVMVLDZQOT-LBPRGKRZSA-N 418.412 3.315 0 40 HGAB COc1ccccc1[C@H](C)NC(=O)CN(c1ccccc1C(C)C)S(C)(=O)=O 223145084 LEAGYEFAXRBVNM-INIZCTEOSA-N 404.532 3.462 0 40 HGAB CCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)COc1cccc(Cl)c1 224005792 LJNXGIHQQNQBTQ-OAHLLOKOSA-N 404.894 3.281 0 40 HGAB Cc1ccc2c(c1)O[C@@H](C(=O)Nc1ccc3c4c(cccc14)CC3)CN2S(C)(=O)=O 224489034 HGVYNILPHFUAHX-OAQYLSRUSA-N 422.506 3.413 0 40 HGAB COc1ccc2c(c1)CCC[C@]2(O)CNC(=O)COc1cccc2c1OC(C)(C)C2 225710861 CSYAHTKFYNHJGR-DEOSSOPVSA-N 411.498 3.128 0 40 HGAB CCCn1c(=O)sc2cc(S(=O)(=O)NCCCc3ccc(OC)cc3)ccc21 225732114 KCGDBEIUWMVJMC-UHFFFAOYSA-N 420.556 3.393 0 40 HGAB CC(C)c1nc(Cc2ccc(NC(=O)CCN3C(=O)c4ccccc4C3=O)cc2)no1 225875168 MMQBJYHNOPGAEO-UHFFFAOYSA-N 418.453 3.409 0 40 HGAB CO[C@H]1CN(CC(=O)Nc2nc(-c3ccccc3)c(C)s2)CC[C@@]12CCCO2 257226668 FLPXQMMSBXEOTM-UWJYYQICSA-N 401.532 3.327 0 40 HGAB CC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3N(C(=O)c1nccn1C)[C@H]2Cc1ccccc1 257263091 LOIYIFSBOYBOKF-ROLQDKDTSA-N 406.530 3.035 0 40 HGAB CCc1ccc(CN2CCO[C@](COc3cccc(Cl)c3)(CC(N)=O)C2)cc1 257297681 RILYKCJFIDUNPH-JOCHJYFZSA-N 402.922 3.428 0 40 HGAB O=C(CNC(=O)C1(Cc2ccc(-c3cccnc3)cc2)CCOCC1)N1CCCCC1 257326883 WYZKVRXYKSZJQK-UHFFFAOYSA-N 421.541 3.217 0 40 HGAB CCOc1ccc(N([C@@H](C)C(=O)N[C@H]2CCCc3ccccc32)S(C)(=O)=O)cc1 260409013 ZLQMSTIEXXBSJW-KKSFZXQISA-N 416.543 3.434 0 40 HGAB CC(=O)Nc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)NCC(C)C)c2)c1 408584929 WRKWJFYQCSLXFP-UHFFFAOYSA-N 403.504 3.140 0 40 HGAB CCCCOC(=O)CN1C(=O)S/C(=C\c2ccc(OC(C)=O)c(OC)c2)C1=O 409341481 DDDSYOMUOIHAOL-YBEGLDIGSA-N 407.444 3.000 0 40 HGAB C[C@@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)Nc1ccc2c(c1)OCO2 409393897 YYYQVERXEFLKRG-SECBINFHSA-N 417.270 3.028 0 40 HGAB O=C(CN[C@@H](C1CC1)[C@@]1(CO)CCCO1)N1c2ccccc2CCc2ccccc21 550503485 NZCZZPLCRYFAJX-DQEYMECFSA-N 406.526 3.360 0 40 HGAB CCCN1CCN(CC(=O)O)C[C@H](Cc2ccccc2-c2ccccc2OC)C1=O 585183587 FJPJEFYWLLLSNI-IBGZPJMESA-N 410.514 3.160 0 40 HGAB O=C(CCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]12)Nc1nncs1 604405147 LBSMVXNFSQRZON-SFHVURJKSA-N 419.466 3.072 0 40 HGAB biogenic Cc1noc(CCCNC(=O)CC2(CN3Cc4ccccc4C3=O)CCCCC2)n1 1548349278 CRPZOINSIBOKKV-UHFFFAOYSA-N 410.518 3.423 0 40 HGAB CCO/C([O])=C(/CCc1ccccc1)N[C@@H](C)C(=O)N1[C@H](C(=O)O)C[C@@H]2CCC[C@@H]21 1560407552 QHLKBMXRKFWPEA-UHMOLFJZSA-N 415.510 3.088 0 40 HGAB O=S(=O)(c1ccccc1Cl)N1CC[C@@H](Oc2ccncc2Br)C1 1775972701 ROHJFUKLHXEWMQ-LLVKDONJSA-N 417.712 3.340 0 40 HGAB Brc1cnc(OCC2CCN(Cc3nc4c(s3)CCC4)CC2)nc1 1775995991 QBINYEGJUOVULG-UHFFFAOYSA-N 409.353 3.475 0 40 HGAB Cc1cc2cc3c(cc2n2c(SCC(=O)Nc4nccs4)nnc12)OCCO3 877450 KAJMXEIDZLKEGN-UHFFFAOYSA-N 413.484 3.149 0 40 HGAB Cc1c(CNC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@H](c2ccco2)N3)cnn1C 884621 HIAKPHWWWSXXND-DOMZBBRYSA-N 408.384 3.108 0 40 HGAB COc1ccc(/C=C2/SC(=O)N(CC(=O)N3CCCCCC3)C2=O)cc1OC 1472439 KWGQYMNAGIRSQM-SFQUDFHCSA-N 404.488 3.143 0 40 HGAB COc1cc([C@H]2SCC(=O)N2c2nnc(C(F)(F)F)s2)cc(OC)c1OC 1608276 VRBREZSWOIOWQB-GFCCVEGCSA-N 421.422 3.361 0 40 HGAB Nc1c(C(=O)NC[C@H]2CCCO2)c2nc3ccccc3nc2n1Cc1ccccc1 2290278 LWVRPXJJUXRPCN-MRXNPFEDSA-N 401.470 3.124 0 40 HGAB O=C(OCC(=O)N1CCCc2ccccc21)c1cccc(I)c1 3301947 VITQZFFKTODHGM-UHFFFAOYSA-N 421.234 3.427 0 40 HGAB O=C(N[C@@H]1CCCc2ccccc21)c1ccc2c(c1)SC1=NS(=O)(=O)CCN12 3327753 CJGHUBHZWPMOMA-MRXNPFEDSA-N 413.524 3.106 0 40 HGAB C[C@H](C(=O)NC[C@@H]1CCCO1)N1C(=O)c2ccccc2[C@H]1c1cn(C)c2ccccc12 4740092 IUYAZMROXCYJOB-DGGJZMOXSA-N 417.509 3.407 0 40 HGAB Cc1ccc(N(CC(=O)NC2CCCC2)C(=O)CNC(=O)c2cccs2)c(C)c1 4875758 XYEKBYHWUPAVMT-UHFFFAOYSA-N 413.543 3.187 0 40 HGAB Nn1c(SCC(=O)NCC23CC4CC(CC(C4)C2)C3)nnc1-c1ccccc1F 4986274 JTOOMPFMDRPBHT-UHFFFAOYSA-N 415.538 3.223 0 40 HGAB COC(=O)c1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCN(C)C)cc1 5215663 XBOFVEGFULKZJD-HXUWFJFHSA-N 420.465 3.077 0 40 HGAB O=C(O)c1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccccc4)[C@@H]3C2=O)cc1 5518035 GGMRDPNNDBIXGV-ACRUOGEOSA-N 414.417 3.436 0 40 HGAB Cc1ccc2nc(SCC(=O)N(C3CCCCC3)[C@@H]3CCS(=O)(=O)C3)[nH]c2c1 6506488 ASMHJVQATKJBPE-MRXNPFEDSA-N 421.588 3.312 0 40 HGAB Cc1cc(=O)oc2cc(OCC(=O)NC3CCN(Cc4ccccc4)CC3)ccc12 6659844 JVASHISITAJAHB-UHFFFAOYSA-N 406.482 3.261 0 40 HGAB biogenic CCN1CCN(C(=S)c2ccc(OCC(=O)Nc3cccc(OC)c3)cc2)CC1 6953576 FXSKLSVDTWWDOH-UHFFFAOYSA-N 413.543 3.026 0 40 HGAB C[C@H](Sc1nnc(S[C@@H](C)C(=O)NC(C)(C)C)s1)C(=O)NC(C)(C)C 7874170 GJNQEXQTLOSBFQ-UWVGGRQHSA-N 404.627 3.329 0 40 HGAB CC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccc3ccccc3c2)cc1 7989762 IZYSEFSJVHBDDV-CQSZACIVSA-N 411.483 3.104 0 40 HGAB Cc1cccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3C)C2)c1 8039414 OPAKVDKOCFAQDW-OAHLLOKOSA-N 400.862 3.492 0 40 HGAB Cc1cc(C)cc(-n2nnnc2SCC(=O)Nc2ccc3c(c2)OCCCO3)c1 8328826 FJDGYFIQGFPJIM-UHFFFAOYSA-N 411.487 3.171 0 40 HGAB COc1ccc([C@H]2CCCCCN2S(=O)(=O)c2ccc3c(c2)CC(=O)N3)cc1 8745730 ZFFZQJNRBDJPBY-HXUWFJFHSA-N 400.500 3.496 0 40 HGAB O=C(COc1ccccc1P(=O)(O)O)N(Cc1ccccc1)Cc1ccccc1 9134459 NTCXVEKDMVYQLY-UHFFFAOYSA-N 411.394 3.097 0 40 HGAB CC1=C(C(=O)Nc2cc(C)on2)[C@H](c2ccc(F)c(Br)c2)NC(=O)N1C 10354126 VHGMAECCNVYYHB-HNNXBMFYSA-N 423.242 3.493 0 40 HGAB Cc1ccc(S[C@H](C)C(=O)N2CCC(NS(=O)(=O)c3ccccc3)CC2)cc1 11159813 UODJUHIBZFTJEF-QGZVFWFLSA-N 418.584 3.445 0 40 HGAB O=C(NCC(F)(F)F)c1cccc(NC(=O)c2ccc(CN3CCCC3=O)cc2)c1 11459282 IQVPDBOQBHDCGI-UHFFFAOYSA-N 419.403 3.353 0 40 HGAB O=C1S[C@H](Nc2cccc(Cl)c2)C(=O)N1CCN1C(=O)c2ccccc2C1=O 12136898 LLKSCZZQDMCGIZ-HNNXBMFYSA-N 415.858 3.070 0 40 HGAB O=C(CN1CCCC1)N1CCC(c2nc(O)c3c4c(sc3n2)CCCC4)CC1 12157806 FFYWBFHDMBUKQI-UHFFFAOYSA-N 400.548 3.078 0 40 HGAB COc1ccccc1N1CCN(C(=O)Cn2c(-c3cccc(C)c3)n[nH]c2=S)CC1 12553411 ORJHUXHSFCYSQO-UHFFFAOYSA-N 423.542 3.274 0 40 HGAB CC(C)=C[C@H]1[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)C1(C)C 12615477 SYRRSEUHUXUKCJ-BBRMVZONSA-N 416.996 3.473 0 40 HGAB NC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(-c2cn3ccsc3n2)cc1 12754208 NHUITSSJROLQGO-KRWDZBQOSA-N 405.483 3.281 0 40 HGAB COc1cc2nc(NC(=O)[C@H]3CCCN(C(=O)c4ccco4)C3)sc2cc1OC 12760254 MUTYCRHITNNYQW-LBPRGKRZSA-N 415.471 3.397 0 40 HGAB Cc1ccc(NC(=O)CN(C)C(=O)c2nn(-c3ccccc3Cl)c(C)cc2=O)cc1 12774449 UHEALBGPPVOOQN-UHFFFAOYSA-N 424.888 3.213 0 40 HGAB CS(=O)(=O)c1ccccc1S(=O)(=O)N[C@@H]1CCSc2ccc(Cl)cc21 12810503 ZXRKYPSPZYYCKJ-CYBMUJFWSA-N 417.961 3.259 0 40 HGAB Cc1cc(=O)oc2cc(OCC(=O)N3CCC[C@H](C(=O)Nc4ccccc4)C3)ccc12 12847227 GAJBGPUFWJEXMF-KRWDZBQOSA-N 420.465 3.358 0 40 HGAB O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1cc2c(F)cccc2s1 13030416 GGWAHPIJIZUPMH-UHFFFAOYSA-N 420.487 3.314 0 40 HGAB CCn1c(SCC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)nc2ccccc2c1=O 13117968 GZFDSIYWOZXSHL-AWEZNQCLSA-N 422.510 3.272 0 40 HGAB Cc1nn2c(=O)cc(COc3ccc(NC(=O)c4cccc(F)c4)cc3)nc2s1 13367946 OVJZPKHYHOUEED-UHFFFAOYSA-N 410.430 3.430 0 40 HGAB Cc1ccc(C)c(Oc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(F)cc2)c1 13739123 DGYNBHYFUUYEDO-UHFFFAOYSA-N 408.433 3.030 0 40 HGAB biogenic Cc1cc(C(=O)CN2C(=O)N[C@](C)(c3ccccc3Br)C2=O)c(C)[nH]1 14199099 AVTUKRHYNDTXGM-GOSISDBHSA-N 404.264 3.044 0 40 HGAB CC[C@H](Oc1ccccc1OC)C(=O)N1CCC(c2cc3ncccc3c(=O)[nH]2)CC1 19499367 SPTNRWDFXBSXPV-FQEVSTJZSA-N 421.497 3.495 0 40 HGAB Cc1nn(C)cc1C(=O)N1CCC(c2nc(NC(C)C)ncc2-c2ccncc2)CC1 19583465 VKDSJAQLLDXMAE-UHFFFAOYSA-N 419.533 3.421 0 40 HGAB CNC(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)CCCN(C(=O)c2cccnc2)C1 19591231 CDJIXZPZXUDEHP-VWLOTQADSA-N 414.509 3.355 0 40 HGAB COC(=O)C[C@@H](NC(=O)c1ccc(OCc2noc(C)n2)cc1)c1ccc(C)cc1 21442634 SEVHYEHWCRQGKO-LJQANCHMSA-N 409.442 3.300 0 40 HGAB CS(=O)(=O)N(Cc1ccc(F)cc1)c1ccc(OCC(=O)NC2CCCC2)cc1 22232461 NBMCJBFZLKXARN-UHFFFAOYSA-N 420.506 3.230 0 40 HGAB C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@H](CN4CCN(Cc5ccccc5)CC4)[C@H]3[C@H](O)[C@@]21C 22456923 WRMKBSBJQCLVBI-VTQYNGMESA-N 424.585 3.089 0 40 HGAB biogenic O=C(CCN1CCN(CC(=O)Nc2ccc(F)cc2)CC1)Nc1cccc(Cl)c1 22930649 NZUWHEWMMJSIAZ-UHFFFAOYSA-N 418.900 3.064 0 40 HGAB O=c1c2scc(-c3cccc(F)c3)c2ncn1Cc1cc(=O)n2ccccc2n1 23126031 AJYLAZJMPBFKNX-UHFFFAOYSA-N 404.426 3.320 0 40 HGAB S=c1n(CN2CCN(Cc3ccc4c(c3)CCO4)CC2)nc(C2CC2)n1C1CC1 23855168 KJZWYBXOEGYYNM-UHFFFAOYSA-N 411.575 3.337 0 40 HGAB CCOc1ccc([C@H](CNC(=O)c2ccc(CC)cc2)N2CCOCC2)cc1OC 25685703 CFAVMCQGDSDTIK-NRFANRHFSA-N 412.530 3.460 0 40 HGAB CCS(=O)(=O)c1ccc(O)c(NC(=O)Cc2csc(-c3ccccc3)n2)c1 28813167 OCCUIEYBISRFNJ-UHFFFAOYSA-N 402.497 3.491 0 40 HGAB Cc1cc(C)n2ncc(C(=O)/N=c3\[nH]c(C)c(Cc4ccc5c(c4)OCO5)s3)c2n1 31910644 NBZCIWGOLDFINU-UHFFFAOYSA-N 421.482 3.105 0 40 HGAB Cc1nc2ccccc2nc1N1CCN([C@H](C(=O)O)c2c[nH]c3ccccc23)CC1 32069764 CCUNUUCHUPOPLC-NRFANRHFSA-N 401.470 3.367 0 40 HGAB CCOc1cccc2cc([C@@H](C)NC(=O)CCn3c(=O)[nH]c(=O)c4ccccc43)oc12 32845475 GSYFPJYNDZVGQF-CQSZACIVSA-N 421.453 3.102 0 40 HGAB COc1ccccc1[C@@H](NC(=O)C[C@H]1Sc2ccccc2NC1=O)c1nccn1C 32905114 LYEYNHSCAQLIST-UYAOXDASSA-N 422.510 3.137 0 40 HGAB O=C(c1cc2c(s1)CCCCC2)N1CCN(S(=O)(=O)c2cccs2)CC1 35684395 GNRWCJFVAMHCPD-UHFFFAOYSA-N 410.586 3.225 0 40 HGAB Cc1cc(C)n(C[C@H](C)NC(=O)c2cc(-c3ccc(Cl)cc3)nc3ncnn23)n1 36619401 DOBOBSUKMMDAHB-ZDUSSCGKSA-N 409.881 3.077 0 40 HGAB CC(C)(C)OC(=O)N1CCC(C(=O)N2CCN(Cc3ccccc3F)CC2)CC1 39980568 ULAZOLKFSMSTCS-UHFFFAOYSA-N 405.514 3.117 0 40 HGAB O=C(Cn1cnc2ccccc21)Nc1ccc(N2CCCN(C(=O)C3CC3)CC2)cc1 42382812 KRYUOLFRGKHASG-UHFFFAOYSA-N 417.513 3.124 0 40 HGAB CSc1nc(C)c(CCC(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)nc2)c(C)n1 48332247 VSJXYJRHAROPOF-KBPBESRZSA-N 415.563 3.395 0 40 HGAB CS(=O)(=O)Nc1cccc(CNC(=O)Nc2ccccc2N2CCCCC2)c1 57848348 MENKMASFPBTPDG-UHFFFAOYSA-N 402.520 3.370 0 40 HGAB COc1ccc(NC(=O)[C@H](c2ccccc2)N2CCC(C(N)=O)CC2)cc1Cl 58175577 LRKOYXASIBWSDH-IBGZPJMESA-N 401.894 3.226 0 40 HGAB COc1cccc(-c2cn(CC(=O)NCc3cccc(C)c3)nc2N2CCOCC2)c1 62006960 JDPWHQIWIBFEDM-UHFFFAOYSA-N 420.513 3.020 0 40 HGAB O=C(OCc1ccc(S(=O)(=O)N2CCCC2)o1)c1cc2c(cc1O)CCCC2 65687388 WVAPZEMHPGLKQU-UHFFFAOYSA-N 405.472 3.006 0 40 HGAB Cc1ccccc1NC(=O)Cn1c(-c2cccc(Cl)c2)nc(C)c(CCO)c1=O 67301593 UPZZTTOVEBAFQW-UHFFFAOYSA-N 411.889 3.354 0 40 HGAB C[C@H]1C[C@@H](C(F)(F)F)n2nc(C(=O)OCC(=O)Nc3ccc(F)cc3)cc2N1 72333704 HMQWQVHAHLQJDP-ZANVPECISA-N 400.332 3.125 0 40 HGAB O=C(NCCS(=O)(=O)N1CCc2ccccc21)c1cc2c(s1)CCCCC2 84582047 VDLGBEJQFVAWSR-UHFFFAOYSA-N 404.557 3.139 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)N(C)Cc3ccccc3)CC2)c(C)c1 89614317 HCJQIORYSLDZAN-UHFFFAOYSA-N 400.544 3.363 0 40 HGAB O=C(CSc1cc(N2CCSCC2)ncn1)NCCc1ccc(Cl)cc1 90610132 GSVNVZYKFHFCBD-UHFFFAOYSA-N 408.980 3.134 0 40 HGAB COc1cc(C)c(Br)cc1S(=O)(=O)Nc1ccc(C(=O)O)cc1 95963226 QWCBPSMSCQYURA-UHFFFAOYSA-N 400.250 3.265 0 40 HGAB COc1cn(CC(=O)NC2CCCCCC2)c(CN2CCc3ccccc3C2)cc1=O 96117479 BZBXMTDADWXSGW-UHFFFAOYSA-N 423.557 3.254 0 40 HGAB Cc1ccc(N2C(=O)[C@H]3N=NN(Cc4nc(-c5ccc(C)c(C)c5)no4)[C@H]3C2=O)cc1 101272267 WQBWYPVUBVVEAL-RBUKOAKNSA-N 416.441 3.155 0 40 HGAB O=C(Nc1cccnc1)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(Cl)cc2)CC1 101492463 PRCVVZZANRVHOA-GASCZTMLSA-N 407.923 3.458 0 40 HGAB CN1CC[C@H](c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)[C@H]1CO 113496418 QLUYMIVVAYRECT-GXTWGEPZSA-N 401.846 3.305 0 40 HGAB in-man COc1ccc(-c2noc(CN(C)C(=O)[C@H](C)Oc3ccc(C)cc3)n2)c(OC)c1 218975130 ATUZITLQTUVDFZ-HNNXBMFYSA-N 411.458 3.488 0 40 HGAB C[C@H](C(=O)NCCSC1CCCCC1)N(c1cccc(F)c1)S(C)(=O)=O 220473303 ZPLSSFXEDAMYTG-CQSZACIVSA-N 402.557 3.162 0 40 HGAB O=C(NCCCOC(=O)c1snnc1-c1ccc(F)cc1)c1cccc(F)c1 223844531 ZAOZMDPGZTVPPI-UHFFFAOYSA-N 403.410 3.460 0 40 HGAB Cc1ccc(C)c(OCCNC(=O)CN(c2ccc(Cl)cc2C)S(C)(=O)=O)c1 223991907 JVNFUTHUNPBNPH-UHFFFAOYSA-N 424.950 3.226 0 40 HGAB COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)Nc2ccc3c(c2)OCO3)cc1 224331368 UKMHQDCZHZNURJ-PDGQHHTCSA-N 406.394 3.427 0 40 HGAB CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]2[C@@H]2c3ccccc3C=NN12 248298333 YWTQOLURXZNQEK-ZRNYENFQSA-N 419.456 3.320 0 40 HGAB CNC(=O)c1sc2nc([C@H]3CCCN3C(=O)Cc3ccc(F)cc3)ccc2c1N 257301377 RYGCENTVUMDBBR-MRXNPFEDSA-N 412.490 3.283 0 40 HGAB CC1(C)Oc2cc(O)ccc2[C@@H]2O[C@@H]3CCCN(C(=O)CCCC(=O)O)[C@@H]3C[C@H]21 257338007 YVKIFMKEEWTBOC-LHUKNYEISA-N 403.475 3.255 0 40 HGAB COc1ccc(N2C[C@@H]3C[C@]3(C(=O)Nc3ccc(OC(C)C)cc3)S2(=O)=O)cc1 260840430 VADQABAWXNXXJL-BTYIYWSLSA-N 416.499 3.030 0 40 HGAB O=C(O)CCSc1nc2ccc(NC(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C(=O)O)cc2s1 408751456 ZQDFWSOIIPWPBD-VCXDHIOWSA-N 418.496 3.325 0 40 HGAB CCOC(=O)COc1ccc(/C=C2\NC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1 408931367 KRQWMRHAMKHYQG-WQRHYEAKSA-N 414.845 3.375 0 40 HGAB O=C([C@@H](c1ccccc1)N1CCc2ccccc21)N1CCC[C@H](Cn2ccnn2)C1 505777134 FXLJLCGODMQMMS-WMZHIEFXSA-N 401.514 3.321 0 40 HGAB COc1cc(OC)nc(N2CCC[C@]3(CCC(=O)N3Cc3ccc(C)cc3)CC2)n1 585100037 CWAYZVAAVQFLIN-QHCPKHFHSA-N 410.518 3.354 0 40 HGAB C[C@H](CN1C[C@H]2CN(S(=O)(=O)c3cc(F)cc(F)c3)CC[C@H]21)c1ccccc1 585108037 XKSOIVWCAUSGSI-LDBYXDLTSA-N 406.498 3.463 0 40 HGAB O=C(c1cc2c(Br)cncc2s1)N1CCOC[C@H]1C[C@H]1CCOC1 1536723153 UDSUWVAKWVUUKN-VXGBXAGGSA-N 411.321 3.326 0 40 HGAB C=CC(=O)N1CCC(C(=O)NCc2ccc3c(n2)CCCC3)(c2ccccc2)CC1 1568236196 DYVOYYSKMXHKGX-UHFFFAOYSA-N 403.526 3.323 0 40 HGAB COC(=O)c1cnc(Nc2cccc([C@H]3CN(C(=O)OC(C)(C)C)CCO3)n2)s1 2037836317 ZSHCISLALXRFNM-CYBMUJFWSA-N 420.491 3.377 0 40 HGAB COc1ccc([C@@H]2CC(=O)N(c3cccc(C)c3)C3=C2C(=O)OC3)c(OC)c1OC 4944697 UJJIXCGAQZHDKX-INIZCTEOSA-N 409.438 3.352 0 40 HGAB COc1ccc(CCNC(=O)CCc2ccc(S(=O)(=O)NC(C)(C)C)cc2)cc1 6321592 XWOXELMDONQSLW-UHFFFAOYSA-N 418.559 3.064 0 40 HGAB COc1cccc(OC)c1C(=O)NC(=S)Nc1ccc(Br)c(C)n1 6960226 MFLZMZNICPACEZ-UHFFFAOYSA-N 410.293 3.297 0 40 HGAB CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N[C@H](C)CC)c(C)c2)cc1 7362006 HLMIXKODFHAVFF-MRXNPFEDSA-N 420.531 3.488 0 40 HGAB O=C(NCCSc1ccc(Cl)cc1)C1CCN(C(=O)c2cccnc2)CC1 29757595 ONHAHWXYYPYZCP-UHFFFAOYSA-N 403.935 3.496 0 40 HGAB CCOC(=O)c1c(C)c(C)n(Cc2cccs2)c1NC(=O)CN1CCO[C@@H](C)C1 21380772 ZWEIWNLIRWXFHS-AWEZNQCLSA-N 419.547 3.051 0 40 HGAB Cc1cc(=O)c(C(=O)N[C@H](CN(C)C)c2ccccc2)nn1-c1ccccc1Cl 32781293 WSHBSQRXMDDHNV-GOSISDBHSA-N 410.905 3.227 0 40 HGAB COc1ccc(Cl)cc1N([C@H](C)C(=O)NCc1cccc(C)c1)S(C)(=O)=O 10448230 XXSLJCNIBPGUDW-CQSZACIVSA-N 410.923 3.128 0 40 HGAB O=C(Nc1ccc2c(c1)OCCO2)c1ccc(N2CCCCS2(=O)=O)cc1Cl 11999225 QHYYBZSIJSHUIR-UHFFFAOYSA-N 422.890 3.294 0 40 HGAB CCOC(=O)c1c(NC(=O)c2ccccc2Br)sc(C(N)=O)c1C 997652 XKCYVWSZWYUYEO-UHFFFAOYSA-N 411.277 3.347 0 40 HGAB C[C@]12CC[C@@](O)(CN3CC3)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]2(O)CN1CC1 118916201 KDZDNXAVYMXPKT-PVGGLHBQSA-N 402.623 3.123 0 40 HGAB O=C(CN1CCN(C(=O)COc2cccc3ccccc23)CC1)Nc1ccccc1 23492945 CNBIZBHENOUXAI-UHFFFAOYSA-N 403.482 3.002 0 40 HGAB COC(=O)Cn1cnc2c(oc3nc(-c4ccccc4)c4c(c32)CC(C)(C)OC4)c1=O 12322723 RFLIAUKPKWNOTP-UHFFFAOYSA-N 419.437 3.229 0 40 HGAB O=C(Nc1ccccn1)[C@@H]1CCCN(S(=O)(=O)c2c(Cl)cccc2Cl)C1 47268930 GNXKMMIYJXBDEB-GFCCVEGCSA-N 414.314 3.428 0 40 HGAB Cc1nn(-c2nc3ccccc3[nH]2)c(O)c1[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O 100069068 RQLHVLCBGFUEOR-CQSZACIVSA-N 421.844 3.463 0 40 HGAB CC(C)CCn1c(=O)c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2ccccc21 100035344 MQFPIRFODWNQIO-UHFFFAOYSA-N 411.483 3.314 0 40 HGAB in-vivo COc1cc(C)c(NC(=O)c2cccc(CN3C(=O)CSC3=O)c2)cc1OC 24991021 LAOWNZLYLHAXMX-UHFFFAOYSA-N 400.456 3.460 0 40 HGAB COc1cc(Br)cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)c1O 100324347 ZOCTVDRLCPHBBV-VGOFMYFVSA-N 421.222 3.395 0 40 HGAB NC1=Nc2nc3cc4c(cc3n2[C@@H](c2ccccc2OC(F)(F)F)N1)OCCCO4 12507678 JWXQLRIPTVYRIY-INIZCTEOSA-N 419.363 3.193 0 40 HGAB Cc1cc(=O)c(C(=O)O[C@H](C)C(=O)N2CCCc3ccccc32)nn1-c1ccccc1 26415831 MXXGTNNNLLWOPO-QGZVFWFLSA-N 417.465 3.066 0 40 HGAB Nc1nc(N)nc(COC(=O)c2ccccc2Nc2ccc(SC(F)F)cc2)n1 12554933 PZQKVPHPJBBZIU-UHFFFAOYSA-N 418.429 3.451 0 40 HGAB C[C@@H](NC(=O)c1ccccc1S[C@H]1CCS(=O)(=O)C1)c1ccc2c(c1)OCO2 27687769 GRFYFSRQGXYZNJ-HIFRSBDPSA-N 419.524 3.186 0 40 HGAB O=C(COc1ccc2c3c(c(=O)oc2c1)CCCC3)N1CC[C@]2(O)CCCC[C@@H]2C1 2112164 QQIHCFGOCLDCLG-VOIUYBSRSA-N 411.498 3.204 0 40 HGAB biogenic CC(C)[C@@H](NS(=O)(=O)c1c(Cl)nc2ccccn12)c1ccc2c(c1)OCCO2 58370370 GNOXAKQJKMZQOU-QGZVFWFLSA-N 421.906 3.435 0 40 HGAB CC(=O)Nc1cc(NC(C)=O)cc(C(=O)O[C@H](C)C(=O)Nc2cc(C)ccc2C)c1 27909256 RRVNRXLJTABNJU-CQSZACIVSA-N 411.458 3.404 0 40 HGAB COc1ccc(OC)c(NC(=O)c2cccc(N3C(=O)[C@H]4CC=CC[C@H]4C3=O)c2)c1 408671871 LTJUOPNCZQZLPM-HDICACEKSA-N 406.438 3.412 0 40 HGAB COC(=O)c1ccc2c(=O)n(CC(=O)c3cc(C)n(Cc4ccco4)c3C)cnc2c1 10821684 QXAXOCHUGZQGMF-UHFFFAOYSA-N 419.437 3.126 0 40 HGAB O=C(OCCOc1ccccc1)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 3395180 YAKPSUSHZSEEFE-UHFFFAOYSA-N 409.891 3.360 0 40 HGAB CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)Cc1c(F)cccc1Cl 3332806 YZDBMUWRCKEUIN-UHFFFAOYSA-N 405.857 3.467 0 40 HGAB COc1ccc(NC(=O)[C@H](C)NC(=O)c2ccoc2)cc1NC(=O)OC(C)(C)C 48261665 YVAQAUGTPOBYBN-LBPRGKRZSA-N 403.435 3.392 0 40 HGAB COc1ccc(-c2nnc(SCC(=O)NC(=O)NC3CCCC3)n2C(C)C)cc1 3516931 QYLJFBXJLFFEQD-UHFFFAOYSA-N 417.535 3.395 0 40 HGAB O=C(CN1C(=O)N[C@@](Cc2ccccc2)(c2ccccc2)C1=O)NCc1cccs1 3599361 IBPQTQFWHOOYCV-QHCPKHFHSA-N 419.506 3.054 0 40 HGAB CC(=O)Oc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=C3S[C@H](C)C(=O)N32)cc1 3636557 CVLGSCGLPIWSSN-PXAZEXFGSA-N 402.472 3.212 0 40 HGAB Cc1ccc(S(=O)(=O)CCC(=O)N2CCN(c3cccc(C)c3C)CC2)cc1 13095301 NJGSVSSJMJVNNO-UHFFFAOYSA-N 400.544 3.124 0 40 HGAB COc1ccc(CNC2(Cc3cc(CN(C)Cc4ccccc4)on3)COC2)cc1 67898095 PLYPVEKAZSTLBR-UHFFFAOYSA-N 407.514 3.417 0 40 HGAB biogenic,in-vitro O=C(NCCc1ccccc1F)[C@@H]1CCCN(C(=O)Cc2c[nH]c3ccccc23)C1 13719579 MRWIMKARGDLNBO-GOSISDBHSA-N 407.489 3.447 0 40 HGAB Cc1ccc2c(CC(=O)OCC(=O)NCC(=O)Nc3ccc(F)cc3)coc2c1C 5301828 ZPHMTATXXKIYDE-UHFFFAOYSA-N 412.417 3.029 0 40 HGAB CCN(CC)CCNC(=O)c1ccc(NC(=O)c2ccc(N3CCCC3=O)cc2)cc1 6432724 AVHJSQWSJTVFAH-UHFFFAOYSA-N 422.529 3.137 0 40 HGAB CCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)C(=O)c1cc2ccccc2o1 14244175 ZPXDHFGQPNHVHO-UHFFFAOYSA-N 407.426 3.349 0 40 HGAB O=C(Cn1c2ccccc2c2nc3n(c(=O)c21)CCCS3)NCc1ccccc1 5451777 VIBGFZBEVPQMSB-UHFFFAOYSA-N 404.495 3.163 0 40 HGAB CCN(CC)S(=O)(=O)c1cc(NC(=O)c2[nH]c3c(c2C)C(=O)CCC3)ccc1C 6509765 IDGAQHAISHSYOO-UHFFFAOYSA-N 417.531 3.433 0 40 HGAB COC(=O)c1ccc(NC(=O)CCCCC(=O)Nc2ccc(C(=O)OC)cc2)cc1 4600552 VGSPYQLWZDVSIS-UHFFFAOYSA-N 412.442 3.397 0 40 HGAB CCNC(=O)NC(=O)[C@@H](Sc1nnc(Cc2cccs2)n1C)c1ccccc1 5580385 JSXDVHVKZRYQJD-INIZCTEOSA-N 415.544 3.147 0 40 HGAB C[C@H](Sc1nnc(-c2ccc(F)cc2)n1C)C(=O)Nc1ccc2c(c1)OCO2 4736198 XHZQGSFGSHRHPH-NSHDSACASA-N 400.435 3.469 0 40 HGAB O=C(NCc1ccc(F)cc1)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 6778714 XBDUJODMSLSWTK-NRFANRHFSA-N 402.425 3.349 0 40 HGAB C[C@@H](CS(C)(=O)=O)N(C(=O)Nc1ccccc1OC[C@H]1CCCCO1)C1CC1 89904094 ZLSZLNHTBFAZQF-DOTOQJQBSA-N 410.536 3.064 0 40 HGAB Cn1c(/C=C/c2ccc(O)cc2)nc2ccc(I)cc2c1=O 4860322 UUZVDPKGCMXAOL-RUDMXATFSA-N 404.207 3.414 0 40 HGAB CCc1nnc2n1N[C@H](c1ccc(F)cc1)[C@@H](C(=O)Nc1cccc(OC)c1)S2 6812118 GCKOGNXJWZKEHJ-MSOLQXFVSA-N 413.478 3.386 0 40 HGAB CS(=O)(=O)N(CCCC(=O)Nc1ccc2c(c1)OCO2)c1ccc(Cl)cc1 4986085 AAPKLAMOAMXSQT-UHFFFAOYSA-N 410.879 3.254 0 40 HGAB NC(=O)[C@H]1CCCN(C(=O)CSc2nc(Nc3ccccc3)c3ccccc3n2)C1 7095363 PDEPJDWTZVVOGH-HNNXBMFYSA-N 421.526 3.189 0 40 HGAB Cc1ccc(NC(=O)NC(=O)CSc2nnc(C3CCCCC3)n2N)c(C)c1 7737472 ABIKOJLECNAZKH-UHFFFAOYSA-N 402.524 3.097 0 40 HGAB C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1CC(=O)Nc1ccccc1-c1ccccc1 16312000 VTLGTEDXNDRZNU-MRXNPFEDSA-N 421.522 3.391 0 40 HGAB Cc1cc(C)nc(Nc2cccc(OC(=O)CN3C(=O)c4ccccc4C3=O)c2)n1 8017666 KQYOJWCRHMODMM-UHFFFAOYSA-N 402.410 3.039 0 40 HGAB C[C@]1(c2ccc3c(c2)OCO3)NC(=O)N(Cc2ncc(-c3ccc(F)cc3)o2)C1=O 9336574 WDGHFQQNWDNLMN-OAQYLSRUSA-N 409.373 3.177 0 40 HGAB CCOC(=O)Nc1cc(S(=O)(=O)Nc2ccc(OC)cc2OC)ccc1OCC 408585072 BWNJVTLNICVLSJ-UHFFFAOYSA-N 424.475 3.472 0 40 HGAB CCn1cc(CNC(=O)Nc2ccc(C)c(NC(=O)NCc3cnn(CC)c3)c2)cn1 72289158 OQLDFMCWWRIZBQ-UHFFFAOYSA-N 424.509 3.071 0 40 HGAB O=C(Nc1cccc(CN2CCOCC2)n1)[C@H]1CCCCN1Cc1ccc(F)cc1 97032450 FYBTVKRMBXBUQR-OAQYLSRUSA-N 412.509 3.046 0 40 HGAB CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)Nc2ccncc2Br)cc1 95441776 UJIKWSZKSPKNIG-LLVKDONJSA-N 412.309 3.173 0 40 HGAB COC(=O)Cn1cc([C@H](C)OC(=O)c2cc(C3CC3)nc3cc(C)cc(C)c23)nn1 95971990 SEADNUMEAJGJGD-AWEZNQCLSA-N 408.458 3.412 0 40 HGAB CCCCCNC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(OC)cc1 409386924 HMAKGWJKMLGCNP-UHFFFAOYSA-N 418.559 3.235 0 40 HGAB COc1cccc(NC(=O)COc2ccc(C(=O)NCCC3=CCOCC3)cc2)c1 89470228 OXFYWSQYZKFMJI-UHFFFAOYSA-N 410.470 3.179 0 40 HGAB CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NCC(C)C)c2)cc1 408584776 UYZWWTZKWXJIQC-UHFFFAOYSA-N 418.515 3.358 0 40 HGAB CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(s/c(=C\c3ccc(C)cc3)c2=O)=N1 409040992 ZMPRDIXPOLSZTH-PHJXOXRPSA-N 418.518 3.107 0 40 HGAB O=C(Cc1nnc(O)c2ccccc12)N1CCO[C@@H](c2ccc(F)cc2Cl)C1 547861992 XZCDKWRQRFOYSV-GOSISDBHSA-N 401.825 3.271 0 40 HGAB CC1(C)CC[C@H]2C[C@H](NC(=O)NC3CCC4(CC3)NC(=O)NC4=O)c3cccc1c32 501568946 RYZJYQFRHQURFI-GYYZOKCDSA-N 410.518 3.106 0 40 HGAB CSCC[C@@H](C(=O)Nc1ccc2nc(C)[nH]c2c1)n1c(O)nc2ccccc2c1=O 524735381 YZPGBXIAIVDLBJ-SFHVURJKSA-N 423.498 3.220 0 40 HGAB CC[C@H](C(=O)NCCCc1ccccc1OC)N(c1ccc(F)cc1)S(C)(=O)=O 219111236 OOIGWZCDEVCNKC-LJQANCHMSA-N 422.522 3.128 0 40 HGAB COc1ccc(CN(C)C(=O)CCCN(c2cccc(C)c2)S(C)(=O)=O)cc1 219618098 JUUSSONYVXNSML-UHFFFAOYSA-N 404.532 3.208 0 40 HGAB COc1ccc(C)cc1NC(=O)CSc1nc2ncccc2c(=O)n1CC(C)C 32893285 WLQXNWZWCBVADQ-UHFFFAOYSA-N 412.515 3.495 0 40 HGAB COc1ccc2c(c1OC)[C@@H](CC(C)=O)N1CCc3cc4c(cc3[C@H]1C2=O)OCO4 39546138 WCUHXCUQWAQCHR-IERDGZPVSA-N 409.438 3.248 0 40 HGAB CCOc1ccccc1N1CCN(C[C@@H](O)c2ccc3c(c2)CCCN3C(C)=O)CC1 36741206 MZZZGUYQWVULCU-XMMPIXPASA-N 423.557 3.240 0 40 HGAB C/C=C/C=C/C=C/C(=O)O[C@@H]1C=C(CO)[C@](O)(C(=O)OC)[C@@]2(C)CCCC(C)(C)[C@H]12 35464053 QIDMCIFFMHMTBT-BREPYCKQSA-N 418.530 3.256 0 40 HGAB biogenic,in-vitro O=C(CSCc1ccccc1)Nc1nnc([C@@H]2CC(=O)N(c3ccccc3)C2)o1 62022954 FJYBDKZFTHJYSP-MRXNPFEDSA-N 408.483 3.462 0 40 HGAB COc1ccc2c(c1)CCC[C@@H]2NC(=O)c1ccc(N2CCCCS2(=O)=O)cc1 224383967 MEQZKLRZTULHKT-NRFANRHFSA-N 414.527 3.433 0 40 HGAB COc1cccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C2)c1 138858973 UCRFSWMQAMEUPN-CQSZACIVSA-N 416.861 3.192 0 40 HGAB CCOc1ccc(C(=O)N2CCC(C(N)=O)CC2)cc1COc1ccc(OC)cc1 224601990 CUGJFCZVWHWRBX-UHFFFAOYSA-N 412.486 3.010 0 40 HGAB CCOc1cccc(NC(=O)[C@H](CC)N(c2cccc(OC)c2)S(C)(=O)=O)c1 220628002 PXSNIDLAPZMNMX-IBGZPJMESA-N 406.504 3.277 0 40 HGAB O=C(O)CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc2c(c1)OCCO2 224841566 VWCJPLWHFLWTLO-UHFFFAOYSA-N 418.254 3.045 0 40 HGAB COc1cc(OC)cc(C(=O)OCC(=O)Nc2ccc(C(=O)OCC(C)C)cc2)c1 139110990 SPHLFWCHWNEQMA-UHFFFAOYSA-N 415.442 3.312 0 40 HGAB CNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CCc1ccc(OC)c(OC)c1 225404791 AHHISGBAEFJGIY-HNNXBMFYSA-N 418.921 3.453 0 40 HGAB O=S(=O)(NCc1nccc(N2CCCCC2)n1)c1ccc(Cl)c(Cl)c1 224165332 DJPOVDRYIGELHD-UHFFFAOYSA-N 401.319 3.252 0 40 HGAB COCCn1cc(CCCC(=O)Nc2ccc3ncn(C)c(=O)c3c2)c2ccccc21 96231949 AOUQTZWRXCMUQI-UHFFFAOYSA-N 418.497 3.496 0 40 HGAB COc1cccc2ccc(CN3[C@H]4CC[C@H]3c3cnc(N5CCOCC5)nc3C4)nc12 248187083 INLDDWIUSMRWLT-RXVVDRJESA-N 417.513 3.132 0 40 HGAB Cc1ccc(=O)n(CC(=O)N2[C@H]3CCCCCN(C)[C@@]3(C)C[C@H]2Cc2ccccc2)n1 257279923 OISZUPWMWKLRDI-SLSDLSHTSA-N 422.573 3.028 0 40 HGAB CN(C)c1cccc(OCC(=O)N2CCC[C@H]2c2ccnc(-c3ccccn3)n2)c1 257315071 UZUJHMHACISDBM-NRFANRHFSA-N 403.486 3.347 0 40 HGAB COc1ccc(Nc2cc(C)nc([C@H]3CCCN(C(=O)CN4CCOCC4)C3)c2)cc1 257342718 ZPWAHEUTFKQUJT-IBGZPJMESA-N 424.545 3.180 0 40 HGAB CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N[C@H]1CCCc2ccccc21 260805374 BTRRZJCGLFDABD-SFTDATJTSA-N 416.543 3.434 0 40 HGAB CS(=O)(=O)c1ccc(N2CC[C@@]3(C2)C(=O)Nc2ccccc23)c(C(F)(F)F)c1 672254816 LGAJQTOCBAZWID-SFHVURJKSA-N 410.417 3.209 0 40 HGAB COc1ccc(CN2CCC[C@H](c3ncc(Cl)cc3S(C)(=O)=O)C2)cc1CO 72394295 BFCPGERGOXNERN-HNNXBMFYSA-N 424.950 3.019 0 40 HGAB CC(=O)N1CCN(C2CCN(C(C)C)CC2)C[C@H](Cc2ccc3ncccc3c2)C1 1615153739 ATJXDPIQGWXOKU-JOCHJYFZSA-N 408.590 3.430 0 40 HGAB CCCc1nn(CC(=O)N(Cc2cccnc2)C2CC2)c(=O)c2cc3ccsc3n12 12117617 RTPUUBLZQTUSAC-UHFFFAOYSA-N 421.526 3.249 0 40 HGAB COc1ccc(CNCc2cc3c(C)nn(-c4ccccc4)c3[nH]c2=O)cc1OC 12186421 LJTOAYPNUTVANK-UHFFFAOYSA-N 404.470 3.329 0 40 HGAB CCN(CCCNC(=O)[C@H](C)NC(=O)/C=C/c1ccc(OC)cc1)c1ccccc1 12769283 JKRQALCWNQOTFU-XAVZPLJISA-N 409.530 3.246 0 40 HGAB O=c1cc2c(nn1Cc1c(F)cccc1Cl)-c1cnc(N3CCCC3)nc1CC2 13265730 JCIOATOVTOPXNN-UHFFFAOYSA-N 411.868 3.240 0 40 HGAB Cc1cnn(CC(=O)N2CCC[C@@H](c3cc(C(F)(F)F)c4c(C)noc4n3)C2)c1 19239903 QKNUHDZYAKNVII-CYBMUJFWSA-N 407.396 3.461 0 40 HGAB COc1ccc([C@@H]2c3nc[nH]c3CCN2C(=O)Cc2ccc3c(c2)C[C@@H](C)O3)cc1 19498100 GUJAXUHOOHILNQ-OYLFLEFRSA-N 403.482 3.459 0 40 HGAB Cc1nn(C(F)F)c(C)c1S(=O)(=O)N1CCC(Oc2ccccc2F)CC1 19577592 WAGBTUKMPKNMKN-UHFFFAOYSA-N 403.426 3.266 0 40 HGAB COCCC(=O)N1CC[C@@](Cc2ccc(-c3ccsc3)cc2)(C(=O)N(C)C)C1 19579930 TWVIMNNQIBEESX-QFIPXVFZSA-N 400.544 3.301 0 40 HGAB CCCc1nnc(S/C(=C\c2cc(Br)cc(OC)c2O)C(=O)O)[nH]1 7342211 YRZHEAMDJZTZJG-WDZFZDKYSA-N 414.281 3.452 0 40 HGAB C[C@@]12CC[C@@H](C[C@H]1C(=O)N1CCCC[C@@H]1CCO)[C@]1(C2)NC(=O)c2ccccc2N1 257221727 DQGYHOBVUSZNOZ-CQGANRFQSA-N 411.546 3.128 0 40 HGAB O=C(N[C@H]1CC[C@H](O)CC1)C1(Cc2cc(-c3ccc(F)cc3F)no2)CCOCC1 257335435 YKDGPJFUHBGRAQ-WKILWMFISA-N 420.456 3.379 0 40 HGAB CC(C)c1ccc(-n2ccn(C[C@@H]3CC(=O)N(Cc4ccccc4)C3)c(=O)c2=O)cc1 1889260048 JFZDSLLORIQNGF-FQEVSTJZSA-N 417.509 3.171 0 40 HGAB O=C(CSc1nc(O)c2c[nH]nc2n1)Nc1cc(C(F)(F)F)ccc1Cl 4249759 IPZNJRVQCMEQEH-UHFFFAOYSA-N 403.773 3.462 0 40 HGAB COc1ccc(Cc2nnc(SCC(=O)Nc3ccc(C)c(Cl)c3)n2N)cc1 5257302 STVHVHBTRUXWLB-UHFFFAOYSA-N 417.922 3.284 0 40 HGAB O=C(Cc1csc(SCC(=O)Nc2ccc(F)cc2)n1)NCc1ccncc1 8852141 HDJVJABAWGNFKM-UHFFFAOYSA-N 416.503 3.267 0 40 HGAB CCOc1ccc(-c2ccc(=O)n(CCNC(=O)CCCc3ccccc3)n2)cc1 9844329 NTRFHROYVKOKJA-UHFFFAOYSA-N 405.498 3.448 0 40 HGAB Cc1ccc(-n2c(-c3ccc(F)cc3)cn3c4c(=O)[nH]c(=O)n(C)c4nc23)cc1Cl 10104510 AUKHCBXBERAVLT-UHFFFAOYSA-N 423.835 3.433 0 40 HGAB O=C(CN1CCN(c2nccn2-c2ccccc2F)CC1)Nc1ccc(F)cc1F 11695773 GEBQIPOMBQWTFD-UHFFFAOYSA-N 415.419 3.050 0 40 HGAB O=C(Cn1cc(OCc2ccc(F)cc2)c(=O)cc1CO)Nc1cccc(Cl)c1 12231068 PJOHRPLGNCFGML-UHFFFAOYSA-N 416.836 3.351 0 40 HGAB COc1ccc(S(=O)(=O)NC[C@H](c2ccco2)N2CCc3ccccc3C2)cc1 22907188 DVIDNCMVJBLZCH-OAQYLSRUSA-N 412.511 3.366 0 40 HGAB O=C(Cc1ccccc1Cl)NCC1CCN(C(=O)COc2ccccc2)CC1 43981125 SAIADTAQRJVUOE-UHFFFAOYSA-N 400.906 3.316 0 40 HGAB Cn1c(C(F)(F)F)nn(C2CCN(C(=O)c3cc4ccccc4s3)CC2)c1=O 575614793 HZTSOLUHNUWOKY-UHFFFAOYSA-N 410.421 3.293 0 40 HGAB CSc1ccccc1NC(=O)C(=O)NC[C@@](O)(c1ccsc1)c1ccco1 245053413 OTHXFLQMEQSSEI-LJQANCHMSA-N 402.497 3.054 0 40 HGAB Cc1ccc2c(c1)N[C@H](C(=O)Nc1ccc(Oc3ccccc3)cc1)NS2(=O)=O 12414565 GEVLNBYDKULJMZ-FQEVSTJZSA-N 409.467 3.456 0 40 HGAB O=C(Cc1c[nH]c2ccccc12)NC[C@H](c1cccnc1)S(=O)(=O)c1ccccc1 8024081 AGONSXWQZSAENM-JOCHJYFZSA-N 419.506 3.437 0 40 HGAB O=C1C[C@@H](C(F)(F)F)N(C(=O)CSc2nc(C3CC3)n[nH]2)c2ccccc2N1 22286411 STVZUKWNRIESMC-LBPRGKRZSA-N 411.409 3.081 0 40 HGAB Cc1cc(C)n2nc(C(=O)Nc3ncc(Cc4ccc(F)c(F)c4)s3)nc2n1 40050534 MIKWHADOKFLIMM-UHFFFAOYSA-N 400.414 3.319 0 40 HGAB C[C@@H](CNC(=O)c1sccc1S(=O)(=O)N1CCCCC1)N(C)c1ccccc1 40108029 MNKJATFLJQNDOI-INIZCTEOSA-N 421.588 3.177 0 40 HGAB Cc1ccc(NC(=O)c2cccc(NS(C)(=O)=O)c2)c(-c2nc(C3CC3)n[nH]2)c1 40150960 XSVIKYSLOZNEGL-UHFFFAOYSA-N 411.487 3.281 0 40 HGAB COc1cccc(C2=NO[C@]3(CC(=O)N(c4ccc(Cl)cc4)C3=O)C2)c1OC 40287605 FUWGYPBCWFTVFA-FQEVSTJZSA-N 400.818 3.184 0 40 HGAB COCCCN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc(C)cc2)C1=O 2096834 SVVUXCNLPUASLJ-XUZZJYLKSA-N 417.509 3.198 0 40 HGAB biogenic O=C(CSc1nnnn1-c1ccccc1)Nc1ncc(Cc2ccccc2)s1 2406811 KPHUWOJLVCFWQR-UHFFFAOYSA-N 408.512 3.440 0 40 HGAB O=C(N[C@@]1(C(F)(F)F)NC(=O)N(c2cccc(Cl)c2)C1=O)c1cccs1 2503997 NBZGIHZYKFDDDD-CQSZACIVSA-N 403.769 3.146 0 40 HGAB COc1ccc(C(=O)OCC(=O)c2cc(C)n(C[C@@H]3CCCO3)c2C)c(OC)c1 2617139 WDCOJJCXZXFZJZ-KRWDZBQOSA-N 401.459 3.341 0 40 HGAB Cc1cccc(NC(=O)COC(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)c1 3373207 BTHASUPOHQZZMK-UHFFFAOYSA-N 418.405 3.180 0 40 HGAB CCOc1ncccc1C(=O)Nc1ccccc1C(=O)NCc1ccc2c(c1)OCO2 3456597 SZJTUBRODALIQW-UHFFFAOYSA-N 419.437 3.391 0 40 HGAB Nc1ccc(Cl)c(S(=O)(=O)Nc2ccc(I)cc2)c1 3885609 UJAWLUJTTDLGBN-UHFFFAOYSA-N 408.648 3.328 0 40 HGAB CCN(CC)CCN(Cc1cc2ccc(OC)cc2[nH]c1=O)C(=S)NCC(C)C 4134176 GXVYBAXZLYOHND-UHFFFAOYSA-N 418.607 3.211 0 40 HGAB CC(C)(C)SCCNC(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O 4603091 BZMDFYIXLGKNHX-UHFFFAOYSA-N 413.392 3.407 0 40 HGAB Cc1occc1-c1nnc(SCC(=O)NCc2ccccc2)n1C[C@@H]1CCCO1 4860340 VBHOWTQQLZQHMS-KRWDZBQOSA-N 412.515 3.434 0 40 HGAB CCN(CC)C(=O)Cn1cc(C(=O)C(=O)NCCc2ccccc2)c2ccccc21 5086967 AJUMWYSNIQSHPX-UHFFFAOYSA-N 405.498 3.051 0 40 HGAB CN(C)c1ccc(NC(=O)C(=O)NC[C@@H](c2ccco2)N2CCc3ccccc32)cc1 5152864 QZODPGUILFWTJD-NRFANRHFSA-N 418.497 3.204 0 40 HGAB O=C(CSc1nnc2ccc(-c3ccccn3)nn12)NCc1ccc(Cl)cc1 5168394 XXVIENXLSHJTPW-UHFFFAOYSA-N 410.890 3.248 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)cc1 5611958 GHENMYAECIGGTL-UHFFFAOYSA-N 413.326 3.449 0 40 HGAB O=C(COc1cccc(-n2cnnn2)c1)NCCC(c1ccccc1)c1ccccc1 5672624 SFCRJLRUVKSJSA-UHFFFAOYSA-N 413.481 3.380 0 40 HGAB COc1cccc(C(=O)NCC(=O)O[C@@H](C)C(=O)Nc2cccc3ccccc23)c1 6105413 BCULCNXTQQWMGV-HNNXBMFYSA-N 406.438 3.149 0 40 HGAB CCOc1ccc([C@@H](C)NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1OCC 6309232 LFIGZMABYFBJBV-OAHLLOKOSA-N 420.531 3.225 0 40 HGAB C[C@@H](C(=O)NCc1cc[nH]n1)n1nc(C(F)(F)F)c(Br)c1C1CC1 6413089 YKCHAKVLWSLZKZ-ZETCQYMHSA-N 406.206 3.142 0 40 HGAB CC(C)CN(C(=O)COc1ccc(-c2ccccc2)cc1)[C@H]1CCS(=O)(=O)C1 7263244 NIZSPAXCOFXSNY-FQEVSTJZSA-N 401.528 3.404 0 40 HGAB CCC(=O)c1ccc(OCC(=O)Nc2sc(C(=O)OC)c(C)c2C(=O)OC)cc1 7506590 XSVMCJAGXHQWEW-UHFFFAOYSA-N 419.455 3.240 0 40 HGAB O=C(CSc1ccc2c(c1)CCC2)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1 7779271 PEBYIKDQZOUFJY-IBGZPJMESA-N 401.553 3.488 0 40 HGAB C[C@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)NC(=O)NC3CCCC3)c2C1 8007993 OOYMPQYRBZCZIH-AWEZNQCLSA-N 409.486 3.285 0 40 HGAB COc1ccc(CCNC(=O)[C@H](C)N(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1 10360259 KRCHUHDEHFRVNT-HNNXBMFYSA-N 424.950 3.170 0 40 HGAB Cc1ccc(S(N)(=O)=O)cc1C(=O)Nc1ccc2nc(N3CCCC3)sc2c1 10579700 OIWYTVSOLXXWDA-UHFFFAOYSA-N 416.528 3.105 0 40 HGAB O=C(CN1CCN(c2nccn2-c2cccc(Cl)c2)CC1)Nc1ccccc1F 11695784 WAQQBSJYELTUDF-UHFFFAOYSA-N 413.884 3.426 0 40 HGAB COCc1ccc(C(=O)N2CCC[C@H](c3cc(C(F)F)n4ncnc4n3)C2)cc1 12327487 KJFDLYGQSDSSTE-HNNXBMFYSA-N 401.417 3.228 0 40 HGAB CC(=O)N1CCc2c(sc(NC(=O)c3cc(Cl)sc3Cl)c2C(N)=O)C1 12378151 STRPVJVRBGZJNK-UHFFFAOYSA-N 418.327 3.372 0 40 HGAB CC(C)[C@@H](C(=O)OCC(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1=O 12401235 QVYDPTHOKUMAHH-ITOHMHRPSA-N 417.889 3.122 0 40 HGAB Cc1cc(=O)c(C(=O)NC[C@H](c2ccccc2)N(C)C)nn1-c1ccccc1Cl 12792561 FELATJOWLIWOQJ-LJQANCHMSA-N 410.905 3.227 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)N(C)Cc1ccco1 12950657 RXGLNGXATXZHLM-UHFFFAOYSA-N 406.504 3.125 0 40 HGAB CCCc1cc(=O)[nH]c(SCc2nnc(-c3cc(OC)c(OC)c(OC)c3)o2)n1 16049248 FGSSVTMOTXCIJY-UHFFFAOYSA-N 418.475 3.091 0 40 HGAB CCn1nnc(NC(=S)NC(=O)/C=C/c2ccc(-c3ccc(C)c(Cl)c3)o2)n1 17090901 SSINZMGLUDLLPV-VQHVLOKHSA-N 416.894 3.441 0 40 HGAB CCCCN(C(=O)c1cccc(-n2cccc2)c1)c1c(N)n(CCCC)c(=O)[nH]c1=O 18080554 TUKBMDZOGAZCNP-UHFFFAOYSA-N 423.517 3.157 0 40 HGAB COc1cccc(CN2CCC[C@@](Cc3ccccc3-c3cncnc3)(C(N)=O)C2)c1 19565014 CRUZMPKDSGWDLJ-VWLOTQADSA-N 416.525 3.462 0 40 HGAB CCc1cc2c(=O)n(CC(=O)N3CCC(Oc4cccc(C)c4)CC3)cnc2s1 19665622 WATCXYNAFUCRAY-UHFFFAOYSA-N 411.527 3.399 0 40 HGAB CC[C@@H](C)NS(=O)(=O)c1ccc(OCC(=O)N[C@@H]2CCCc3ccccc32)cc1 20019576 FEINUSWPGXRSNP-IIBYNOLFSA-N 416.543 3.336 0 40 HGAB Cc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCN2CCOCC2)cc1 20308539 ZSJBSIVUDFHWCY-JOCHJYFZSA-N 418.493 3.287 0 40 HGAB COc1ccc(S(=O)(=O)N[C@@H]2CCCc3ccccc32)cc1C(=O)N1CCCC1 20453840 NRQCMJCKPFZMDC-HXUWFJFHSA-N 414.527 3.287 0 40 HGAB CCN(CC)CCNC(=O)c1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)cc1 21212800 LTDSSTVHGYPLDU-UHFFFAOYSA-N 403.548 3.176 0 40 HGAB O=C(c1cc(-c2cccs2)on1)N(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 21524157 BPXZWQMHGNKIGN-OAHLLOKOSA-N 402.497 3.233 0 40 HGAB Cc1cc(C)c(N(CC(=O)NCCSCc2ccccc2)S(C)(=O)=O)c(C)c1 22384716 XLWSPSBRTUQMIU-UHFFFAOYSA-N 420.600 3.427 0 40 HGAB CCCNC(=O)Cn1nc2c(c1NC(=O)c1ccc(C(F)(F)F)cc1)CSC2 23138751 MJAZWIQRJCGBQZ-UHFFFAOYSA-N 412.437 3.427 0 40 HGAB COC(=O)c1ccoc1COC(=O)c1cnn(-c2ccc(C(F)(F)F)cn2)c1C 23570449 FBQKHBLZWISXRF-UHFFFAOYSA-N 409.320 3.331 0 40 HGAB Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)N[C@H]1CCOc2ccccc21 23646674 JUIUVYNGBSKBMO-SFHVURJKSA-N 402.516 3.325 0 40 HGAB O=C(CN1CCN(c2ccccn2)CC1)N[C@H](c1ccc(F)cc1)c1cccs1 23881223 XZNGLPWXYXIFNE-JOCHJYFZSA-N 410.518 3.310 0 40 HGAB COc1ccc(CN2CCN(C(=O)c3cc(Cl)c(OC)c(OC)c3)CC2)cc1F 23990091 ZCJZSNXUQSZARJ-UHFFFAOYSA-N 422.884 3.463 0 40 HGAB CCN1C[C@@H](CN(C)CCCCN2C(=O)c3ccccc3C2=O)Oc2ccccc21 24242052 UWYIVKCWRLPDGQ-GOSISDBHSA-N 407.514 3.282 0 40 HGAB Cc1ccccc1C(=O)N1CCN(Cc2nc3sc4c(c3c(=O)[nH]2)CCCC4)CC1 24831293 ZVAZODUAWHUOMU-UHFFFAOYSA-N 422.554 3.130 0 40 HGAB CCc1c(C(=O)Nc2cccc(NS(C)(=O)=O)c2)cnn1-c1ccc(F)cc1 24877296 BGOPAXDNDRRKJP-UHFFFAOYSA-N 402.451 3.198 0 40 HGAB CCc1ccc(Cl)c(CC)c1NC(=O)CSc1nnnn1C[C@@H]1CCCO1 25055370 JAMATFXQOPCPIV-ZDUSSCGKSA-N 409.943 3.361 0 40 HGAB COc1ccc(O[C@@H](C)C(=O)O[C@@H](C)C(=O)Nc2ccc(OC)cc2OC)cc1 28887091 QUMNFTDTDNEFPG-KBPBESRZSA-N 403.431 3.050 0 40 HGAB COCCN1C(=O)c2ccccc2[C@@H](C(=O)NC[C@H](O)c2ccccc2)C12CCCC2 32087823 LQJIFALMZVEHTA-VXKWHMMOSA-N 422.525 3.035 0 40 HGAB O=C(CN1CCN(C(=O)c2ccccc2Cl)CC1)Nc1ccnn1C1CCCC1 35362698 BHCOJKHANDKNNB-UHFFFAOYSA-N 415.925 3.048 0 40 HGAB Cc1ccc(CNC(=O)CCc2nnc3n(CC(C)C)c(=O)c4sccc4n23)cc1 35528551 DULQGNOMSGTIBE-UHFFFAOYSA-N 423.542 3.319 0 40 HGAB O=C(NC1CCCC1)c1c(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)sc2c1CCC2 35897632 FNWMSRZQROUHPP-AWBCAMRRSA-N 414.527 3.371 0 40 HGAB COc1ccc(N2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N[C@H](C)CCCC(C)C)[C@H]4C2=O)cc1 36369698 OLAUHODKTOCQBC-SGLPDKLRSA-N 412.530 3.313 0 40 HGAB Cc1cc(F)ccc1S(=O)(=O)NCCCCN1CCO[C@@H](c2ccccc2)C1 36700425 KBGZMQLGIZXWMZ-HXUWFJFHSA-N 406.523 3.266 0 40 HGAB CC[C@@H](NC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc(C)cc1 40096642 NKTFORJXTHGZKA-HXUWFJFHSA-N 417.531 3.289 0 40 HGAB CC(C)[C@H](Oc1ccccc1Br)C(=O)NCCNC(=O)c1ccccc1 44466818 NYJAOGXROCWZHM-SFHVURJKSA-N 419.319 3.399 0 40 HGAB CC[C@H]1CCCCN1C(=O)Cn1nc(-c2ccc(Br)cc2)ccc1=O 57427368 ROGJILKFHBJQBF-INIZCTEOSA-N 404.308 3.464 0 40 HGAB CCC[C@H](c1nnnn1C[C@H]1CCCO1)N1CCN(c2cc(Cl)ccc2C)CC1 57670285 CRVHXDDCXYMEDM-RTBURBONSA-N 418.973 3.477 0 40 HGAB C[C@@H](NCC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1ccc(Cl)cc1 57789068 IRUSWNFQDXPMQT-OAHLLOKOSA-N 421.950 3.414 0 40 HGAB Cc1ccc(-n2cnnn2)cc1NC(=O)NCc1ccc(N2CCCCCC2)nc1 58067059 WGLZCSNYSKWPRC-UHFFFAOYSA-N 406.494 3.068 0 40 HGAB CC(C)CN(C(=O)c1ccc2c(c1)S(=O)(=O)N(C1CC1)C2=O)C1CCCCC1 58182213 KHKJBRSCVBBGRD-UHFFFAOYSA-N 404.532 3.424 0 40 HGAB O=S(=O)(c1ccc(C(F)(F)F)cc1)N(CCN1CCOCC1)c1ccccc1 62580208 MRWSKSABZNOWAJ-UHFFFAOYSA-N 414.449 3.233 0 40 HGAB CCOc1ccc(-n2ccn3c(SCC(=O)c4ccccc4)nnc3c2=O)cc1 64593803 NYYBKIUPPDRDFB-UHFFFAOYSA-N 406.467 3.254 0 40 HGAB O=C(C[S@](=O)Cc1c(F)cccc1Cl)N1CCN(c2ccc(F)cc2)CC1 69581827 BGRLHCVSVZXNJG-MHZLTWQESA-N 412.889 3.216 0 40 HGAB CN(c1ccc(NC(=O)[C@H]2CCCCN2S(C)(=O)=O)cc1F)C1CCCCC1 71932128 UAMPDZCFCUGJRW-LJQANCHMSA-N 411.543 3.347 0 40 HGAB CN1CCN(C(=O)N[C@@H](c2cccc(F)c2)c2nccn2C)[C@@H](c2ccccc2)C1 72261182 JOHBPGFSULYCRU-RTWAWAEBSA-N 407.493 3.347 0 40 HGAB CCn1ncc(C(=O)N2CC[C@@H](n3nc(-c4cccs4)ccc3=O)[C@H](C)C2)c1C 72335402 YXGPZHRVOLNYCW-RDTXWAMCSA-N 411.531 3.220 0 40 HGAB Cc1cccc(Cc2cc(C)nc([C@@H]3CCCN(C(=O)CN4CCOCC4)C3)c2)c1 72353952 XLPQENHOYUZDRB-HSZRJFAPSA-N 407.558 3.327 0 40 HGAB CC(C)n1c2ccccc2c2c1cc(C(=O)N1CCN(C)CC1)n2-c1ncccn1 96146453 YAYIYSWXJJYGLE-UHFFFAOYSA-N 402.502 3.344 0 40 HGAB Cc1cccc(CN2CCC3(CC2)CN(C(=O)c2cnccn2)Cc2ccccc23)n1 96242610 FQOPJPZXTRHQNQ-UHFFFAOYSA-N 413.525 3.370 0 40 HGAB C[C@H]1CCCCN1CCNC(=O)[C@@H]1C[C@@H]2CC[C@]1(C)C[C@]21NC(=O)c2ccccc2N1 100116248 QTKGBJSIUXKRNT-JDXHSLAUSA-N 424.589 3.355 0 40 HGAB O=Cc1ccccc1OC(=O)c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@@H]3C2=O)c1 100397784 RFLWIOWPGUENSI-GLRKZIRRSA-N 413.429 3.276 0 40 HGAB O=C(NC1C[C@@H]2CCC[C@@H](C1)N2S(=O)(=O)c1ccccc1F)c1ccc(F)cc1 100427280 BDDBUHTZEWEZOW-ROUUACIJSA-N 420.481 3.469 0 40 HGAB Cc1cccc(N(CC(=O)NCCOc2ccccc2)S(=O)(=O)c2ccccc2)c1 105410658 MEBQNUOKTGFFKP-UHFFFAOYSA-N 424.522 3.386 0 40 HGAB COCCOc1cccc(C(=O)N[C@@H](c2ccc(Cl)cc2)[C@H]2CN(C)CCO2)c1 108150181 KBLYSQCYCYLNHD-RTWAWAEBSA-N 418.921 3.167 0 40 HGAB Cc1noc(-c2sccc2NC(=O)Cc2ccc(S(=O)(=O)C(C)C)cc2)n1 207959820 BGRUXRYXIAXFQG-UHFFFAOYSA-N 405.501 3.470 0 40 HGAB CC[C@H](C(=O)N[C@@H](C)COc1ccc(C)cc1)N(c1ccccc1)S(C)(=O)=O 219085891 JXPGPEOXCLGPRQ-FXAWDEMLSA-N 404.532 3.123 0 40 HGAB CCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc3sncc3c2)c(C)c1 222790086 JMQSTTKOHGLDKQ-UHFFFAOYSA-N 419.528 3.311 0 40 HGAB CC[C@H](NC(=O)COc1ccc(N(C)S(C)(=O)=O)cc1)c1ccc(OC)c(C)c1 222890423 ONZDHGKLCVXFOU-IBGZPJMESA-N 420.531 3.046 0 40 HGAB COc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)cc1 223627135 GBVOTLWDMFGRGC-NHCUHLMSSA-N 408.527 3.236 0 40 HGAB CCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)COc1ccccc1Cl 223995992 LYNZDIODWDVGKV-OAHLLOKOSA-N 404.894 3.281 0 40 HGAB Cc1cc(C)c(C(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1C 224350650 DQOYNIVNIIPURY-UHFFFAOYSA-N 416.543 3.205 0 40 HGAB CCN(Cc1ccccc1)S(=O)(=O)c1nnc(NC(=O)c2ccccc2)s1 225490151 BGSYUCDJRKQVGB-UHFFFAOYSA-N 402.501 3.001 0 40 HGAB COc1ccc(NC(=O)Cn2ccc(=O)c3ccc(Br)cc32)cc1OC 225740381 JPNSANMTIXKJJF-UHFFFAOYSA-N 417.259 3.420 0 40 HGAB COc1ccc(NC(=O)[C@@]23C[C@@H]2CN(c2ccc(C)cc2)S3(=O)=O)cc1Cl 225941514 NFQMPTHSPXYXMK-BFUOFWGJSA-N 406.891 3.204 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC(C(=O)N(C)c3ccccc3)CC2)cc1C 226080863 ILVVVPHKGRFOPR-UHFFFAOYSA-N 402.516 3.067 0 40 HGAB Cc1nn(C)cc1CN1CCO[C@@H](c2cc(CCOc3ccccc3Cl)[nH]n2)C1 257307496 SYWKLKFGIBGHMQ-OAQYLSRUSA-N 415.925 3.300 0 40 HGAB COCCC(=O)N[C@]1(C)C[C@H](c2ccccc2OCC(=O)O)O[C@@H]2C[C@H](C)CC[C@H]21 257308112 TVLQNHHATOQRBQ-XDVJFCRTSA-N 419.518 3.328 0 40 HGAB Cc1nc2cc([C@@H]3CCCN3Cc3cccnc3)nn2c(C)c1CCC(=O)NC1CC1 257339090 ZADYLDOXBNKUCU-QFIPXVFZSA-N 418.545 3.289 0 40 HGAB COCCn1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@H]2CCCO2)c1C 260925674 WRNFINVZKZZPCA-DUXKGJEZSA-N 414.575 3.298 0 40 HGAB COc1cc2c(=O)c(-c3ccc(OC(C)=O)cc3)coc2cc1OC(=O)[C@@H](C)OC 263583659 RXMMTFWMVLPISI-GFCCVEGCSA-N 412.394 3.334 0 40 HGAB CC[C@H](C)[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Nc1cc(OC)ccc1OC 408999311 QTNDYAZDHYKITH-MGPUTAFESA-N 420.531 3.344 0 40 HGAB O=C(CN1C(=O)N/C(=C/c2cccn2-c2ccccc2)C1=O)Nc1ccccc1F 409208809 DLTCOHVZWFSTCY-CPNJWEJPSA-N 404.401 3.148 0 40 HGAB O=S1(=O)C[C@@H](O)[C@H](N(Cc2ccccc2)C(c2ccccc2)c2ccccc2)C1 575423358 ZYFOLGCUEUKEHV-DHIUTWEWSA-N 407.535 3.436 0 40 HGAB O=S(=O)(NC[C@@H](O)c1ccc(-c2ccsc2)o1)c1ccc(-n2cccn2)cc1 575611842 YCSSOZGYZQDQNW-QGZVFWFLSA-N 415.496 3.206 0 40 HGAB CC1(C)Cc2cccc(OCC(=O)N3CCC[C@H](Oc4ncc(Cl)cn4)C3)c2O1 575613788 UFIHNBHTAKFVSR-INIZCTEOSA-N 417.893 3.292 0 40 HGAB COc1cc(F)ccc1C(=O)N1CCc2ncc(-c3cnn(CC4CC4)c3)n2CC1 585111119 FGWFIEJNTKPBPL-UHFFFAOYSA-N 409.465 3.003 0 40 HGAB Cc1nc(N2CCN(c3ccc(-c4cccc(F)c4)nn3)CC2)c2ccncc2n1 1775978612 VBNLLKBNSXRQOC-UHFFFAOYSA-N 401.449 3.256 0 40 HGAB O=C(COCc1ccccc1)N1CC[C@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@@H]21 1889186726 QCODJPKCEOOQAV-WMZOPIPTSA-N 405.420 3.354 0 40 HGAB Cc1c(Br)ccc(NC(=O)CCN2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@@H]3C2=O)c1C 4554164 FDPGYWBYYOWPDN-GGNLRSJOSA-N 419.319 3.426 0 40 HGAB COCCn1c(SCC(=O)Nc2cccc(C(C)=O)c2)nnc1-c1ccco1 4861152 SDIBBOAJJUFVBK-UHFFFAOYSA-N 400.460 3.118 0 40 HGAB C[C@@H](C(=O)N[C@@H](C(=O)NC1CCCCC1)c1ccc(F)cc1)n1nc2ccccc2n1 4966814 YFSOGJAWEFJJBH-YCRPNKLZSA-N 423.492 3.438 0 40 HGAB CCn1c(CC(=O)Nc2ccccc2)nnc1SCC(=O)N[C@H]1CCCC[C@H]1C 6356564 UQHVRDJVTRQKEB-WBVHZDCISA-N 415.563 3.266 0 40 HGAB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/C=C/c2ccc(N(C)C)cc2)C1=O 6945407 GPOBDOUZRNJRAW-UCBVQSBFSA-N 418.497 3.403 0 40 HGAB CCOc1cc(S(=O)(=O)N2CCN=C2Cc2ccccc2)c(OCC)cc1C 41095201 KDQYXBGNCBRINB-UHFFFAOYSA-N 402.516 3.438 0 40 HGAB CCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(OCC)cc2)c(C)c1 7604557 UXGUJDFZCJHBOQ-UHFFFAOYSA-N 406.504 3.100 0 40 HGAB CC(=O)Nc1cccc(-c2nnc(SCC(=O)Nc3cccc(C(C)=O)c3)[nH]2)c1 7604654 HPEKFJAZYCNZGX-UHFFFAOYSA-N 409.471 3.364 0 40 HGAB O=C1CC2(CCCC2)C(=O)N1CN1CCN(Cc2csc(-c3ccccc3)n2)CC1 32771171 MNNZPDDJXXCRHM-UHFFFAOYSA-N 424.570 3.205 0 40 HGAB C[C@@H]1C=CC[C@@H]2C(=O)N(c3ccc(C(=O)Nc4ccc(C(=O)O)cc4)cc3)C(=O)[C@@H]21 8470393 CDNDWQIMLKPNLL-ZNZDAUKMSA-N 404.422 3.339 0 40 HGAB C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)Nc3ccc4c(c3)CCC4)c2)C[C@@H](C)O1 2630710 HSSCKQBGRXUAKW-HZPDHXFCSA-N 414.527 3.226 0 40 HGAB O=C(CCn1ncc(=O)c2ccccc21)NCc1ccc(CN2CCCCC2)cc1 32820778 PVFLYXIAABWCBX-UHFFFAOYSA-N 404.514 3.089 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3c(F)cccc3F)C2)cc1 9974466 QNMPMFNLOKWMFU-ZDUSSCGKSA-N 410.442 3.013 0 40 HGAB CC(=O)N1CCc2nc3cc([C@@H]4CCCCN4Cc4ccccc4F)nn3c(O)c2C1 100242863 GGROGTZRHHOZLD-NRFANRHFSA-N 423.492 3.206 0 40 HGAB O=C(CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)Nc1ccccc1N1CCc2ccccc21 103139881 HJKWPQDUHYSIJE-DODAUVCRSA-N 413.477 3.126 0 40 HGAB CC(C)OC(=O)[C@@H]1[C@@H]2C=C[C@]3(CN([C@@H](C)c4ccc(Br)cc4)C(=O)[C@H]13)O2 100643144 FGILBJXGENIYJK-IEKXTCBJSA-N 420.303 3.244 0 40 HGAB COc1ccc(/C=C2/SC(=O)N(CCNC(=O)c3cccc(OC)c3)C2=O)cc1 33670352 CBKCAWFEZKFZKG-LDADJPATSA-N 412.467 3.170 0 40 HGAB COc1ccc(CCNC(=O)N[C@H](CN(C)C2CCN(C)CC2)c2ccccc2)cc1 58158655 XLFFATITFGDWCF-XMMPIXPASA-N 424.589 3.304 0 40 HGAB O=C(CN1CCN(CCc2ccccc2)CC1)Nc1cccc(Br)c1 22912446 RNBGQLNRMJKTIH-UHFFFAOYSA-N 402.336 3.248 0 40 HGAB COc1ccc([C@H](c2nnnn2C(C)(C)C)N2CCN(c3ccc(F)cc3)CC2)cc1 20139481 IXYUQBGUHIZHLJ-OAQYLSRUSA-N 424.524 3.487 0 40 HGAB Cn1c(C(=O)N2CCOCC2)cnc1Sc1ncc(C(F)(F)F)cc1Cl 1396861 MLVAGROOLBDUGR-UHFFFAOYSA-N 406.817 3.111 0 40 HGAB CCC[C@@H](NC(=O)[C@H](C)Sc1ccc(S(=O)(=O)N(C)C)cn1)c1ccccc1 24939136 PLDMPKZTVKJAKC-MAUKXSAKSA-N 421.588 3.470 0 40 HGAB CN(C)S(=O)(=O)N(C)c1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1 20245556 JFYQYOWWMZFGCP-UHFFFAOYSA-N 401.410 3.200 0 40 HGAB O=C(NCCCN1CCc2ccccc2C1)c1cccc(I)c1 29838704 WVSIRIAOLDXYDX-UHFFFAOYSA-N 420.294 3.469 0 40 HGAB O=C(CN1c2ccccc2-c2ccccc2S1(=O)=O)N1CCc2ccccc2C1 20062997 DXIBPNUCSMUBMW-UHFFFAOYSA-N 404.491 3.447 0 40 HGAB Cc1cc(C)c([C@@H]2c3c(n(C)c(=O)n(C)c3=O)N=C3c4ccccc4C(=O)[C@H]32)c(C)c1 408733228 GQPIAHAIPXAFMM-OALUTQOASA-N 413.477 3.088 0 40 HGAB COC(=O)c1ccc2[nH]c3c(c2c1)CN(S(=O)(=O)c1ccc(Cl)cc1)CC3 28059408 FBFLFAFRALWQDY-UHFFFAOYSA-N 404.875 3.355 0 40 HGAB Cc1ccc2nc(-c3ccc(C)s3)cc(C(=O)Nc3cc(=O)n(C)c(=O)n3C)c2c1 27977346 YZUAPDFFTQLGLH-UHFFFAOYSA-N 420.494 3.230 0 40 HGAB O=C(CCNC(=O)c1ccsc1)Nc1cccc(-c2nnc3n2CCCCC3)c1 12791191 NDLGOTFIJSOVRT-UHFFFAOYSA-N 409.515 3.492 0 40 HGAB Cc1cccc(C(=O)NCC(=O)NCCSc2ccc(Br)cc2)c1 12931788 YAJAEIDDSNENOD-UHFFFAOYSA-N 407.333 3.396 0 40 HGAB COc1ccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccc(C)cc3)[C@@H]2c2ccccc2)cc1 409057899 MTRKSCGQRZOFPK-LIFFMEMSSA-O 414.485 3.020 0 40 HGAB Cc1cccc(N2C(=O)/C(=C/Nc3ccc(C(=O)O)c(O)c3)c3ccccc3C2=O)n1 13165751 PVZCMRCDUGIHTQ-LDADJPATSA-N 415.405 3.434 0 40 HGAB COc1ccc(CN2C(=O)N[C@@H](CCC(=O)Nc3ccc(F)c(Cl)c3)C2=O)cc1 13653757 LKHLKRKSAUKSRK-KRWDZBQOSA-N 419.840 3.327 0 40 HGAB Cn1c(CCNC(=O)c2ccc(Cl)nc2)nc2cc(NC(=O)c3ccco3)ccc21 13683198 KGOYIJMVYQOSAA-UHFFFAOYSA-N 423.860 3.440 0 40 HGAB O=C(Cn1c(CCNC(=O)c2ccccc2)nc2ccccc21)NCc1cccs1 6087855 WXGHXUMHKNEDRZ-UHFFFAOYSA-N 418.522 3.387 0 40 HGAB O=S(=O)(c1cccc(COc2ccccc2Br)c1)N1CCOCC1 7477983 VBBADRVOZTUKSY-UHFFFAOYSA-N 412.305 3.049 0 40 HGAB Cc1ccc2oc(C(=O)Nc3nc4ccc(S(C)(=O)=O)cc4s3)cc(=O)c2c1 8869321 GFQXSOHSLZIKAV-UHFFFAOYSA-N 414.464 3.367 0 40 HGAB CCOC(=O)c1[nH]c(COC(=O)c2cccnc2SC)c(C(=O)OCC)c1C 7652691 BJQFKYMLUHASGN-UHFFFAOYSA-N 406.460 3.150 0 40 HGAB COc1ccc(NC(=O)CSc2nc3ccccc3c3nc(C)nn23)cc1OC 9049303 FRGPQAFLZAVNAL-UHFFFAOYSA-N 409.471 3.334 0 40 HGAB CCC(=O)N1N=C(c2ccccc2NS(C)(=O)=O)C[C@@H]1c1ccccc1OC 9260432 XZKJPKPWHIRNAJ-GOSISDBHSA-N 401.488 3.154 0 40 HGAB O=C1C(Cl)=C(N2CCN(Cc3ccccc3)CC2)C(=O)N1c1cccc(Cl)c1 19792816 LNTIMVYPVRPGGZ-UHFFFAOYSA-N 416.308 3.481 0 40 HGAB CC(C)NC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)NCc2ccc(Cl)cc2)cc1 408588398 FYIGIKHPQJDKKH-CQSZACIVSA-N 410.923 3.110 0 40 HGAB Cc1ccc(C(=O)OCC(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)s1 9663898 ODDPPTZENCRYCQ-UHFFFAOYSA-N 422.528 3.027 0 40 HGAB COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1ccc(Cl)cc1-n1cnnn1)CC3 95477043 MPYBXYKAVCBPKC-UHFFFAOYSA-N 408.849 3.004 0 40 HGAB CCCS(=O)(=O)N1CCC[C@@H](c2nc3ccc(-c4cccc(F)c4)cn3n2)C1 306126321 DSMREZPDLTWWIP-QGZVFWFLSA-N 402.495 3.455 0 40 HGAB COc1ccc(OC)c(S(=O)(=O)Nc2cnn(Cc3cccc(Cl)c3)c2)c1 28220637 ZDNMYYYXTGGUEB-UHFFFAOYSA-N 407.879 3.403 0 40 HGAB COc1ccc(N(CCCC(=O)N[C@H](C)c2ccc(C)cc2)S(C)(=O)=O)cc1 113961056 SMYBCAZDVZVHGO-QGZVFWFLSA-N 404.532 3.427 0 40 HGAB COc1ccc(C)cc1NC(=O)COc1ccc(S(=O)(=O)NC(C)(C)C)cc1 409196651 QTCATXRMDYUSFL-UHFFFAOYSA-N 406.504 3.098 0 40 HGAB Cc1ccccc1CNC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccccc1 408708669 KJAZYPHLSMRDRA-UHFFFAOYSA-N 401.466 3.180 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3)CC2)cc1Cl 30325094 XOVDKQOQWQIVTK-UHFFFAOYSA-N 408.907 3.388 0 40 HGAB CCc1cccc2c(/C=C3/C(=O)N(C)C(=S)N3C)cn(CC(=O)N(CC)CC)c12 39556601 WLTJIZBQTDKIEM-PDGQHHTCSA-N 412.559 3.102 0 40 HGAB CCOC(=O)[C@@H]1Oc2c(c(=O)oc3ccccc23)[C@H]1c1cc2ccccc2n(C)c1=O 79191609 RYMCCCGKAGFXQP-WIYYLYMNSA-N 417.417 3.101 0 40 HGAB biogenic CC[C@@H](NC(=O)[C@@H]1CN(S(C)(=O)=O)c2ccccc2O1)c1ccc(C)cc1C 44856730 UOBWZHRRPMKXLZ-XLIONFOSSA-N 402.516 3.098 0 40 HGAB Cc1ccc(S(=O)(=O)N(C)c2cc(C(=O)NC[C@@H]3CCCO3)ccc2C)cc1 224306802 BMFPKWOXDYSYRH-SFHVURJKSA-N 402.516 3.037 0 40 HGAB CCOc1ccc([C@H](C)NS(=O)(=O)c2cccc(C(=O)OC)c2)cc1OCC 223319538 IMXWJWRFDQZIII-AWEZNQCLSA-N 407.488 3.310 0 40 HGAB COc1ccc(OC)c([C@H](C)NC(=O)c2cccc(N3CCCCS3(=O)=O)c2)c1 224042930 GSNWQTHEAIMEIK-HNNXBMFYSA-N 418.515 3.125 0 40 HGAB CCCc1ccc(OCCNC(=O)CN(c2ccccc2CC)S(C)(=O)=O)cc1 223631550 GBUIWIITWZVQBQ-UHFFFAOYSA-N 418.559 3.163 0 40 HGAB CC(C)C(=O)Nc1nnc(S(=O)(=O)N[C@@H](C)CC(C)(C)c2ccccc2)s1 224098843 JPNVWXIGTRRMED-ZDUSSCGKSA-N 410.565 3.167 0 40 HGAB COC(=O)CN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1ccc(SC)cc1 224985352 SDTQZKUQGLWZCM-UHFFFAOYSA-N 415.920 3.439 0 40 HGAB O=C(COc1nn(-c2ccccc2)cc1Cl)Nc1ccc(N2CCOCC2)cc1 227152161 MVGCTTJIMDYTEX-UHFFFAOYSA-N 412.877 3.380 0 40 HGAB Cc1cccc(CNC(=O)COc2ccc(S(=O)(=O)NC3CCCCC3)cc2)c1 222627575 CFKQFICIMRXXPX-UHFFFAOYSA-N 416.543 3.301 0 40 HGAB COc1ccc2cc(S(=O)(=O)Nc3cccc(N(C)S(C)(=O)=O)c3)ccc2c1 223498731 FKEBEZVGTVAEFP-UHFFFAOYSA-N 420.512 3.045 0 40 HGAB COc1ccc(CSCC(=O)NCc2ccc(CN3CCOCC3)cc2)cc1 224541624 KZTFXYREYUHBQB-UHFFFAOYSA-N 400.544 3.077 0 40 HGAB Cc1cccc(CSCCNC(=O)c2ccc(N(C)S(C)(=O)=O)c(C)c2)c1 222472982 BBDNWZHLFFNNBT-UHFFFAOYSA-N 406.573 3.362 0 40 HGAB COc1ccccc1[C@@H](C)NC(=O)CN(c1ccc(C)c(Cl)c1)S(C)(=O)=O 225878553 LZBBYXWWPQVIBV-CQSZACIVSA-N 410.923 3.300 0 40 HGAB O=c1cc(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)c2cc(Cl)ccc2o1 20547833 MJCMQAJJCWODLM-UHFFFAOYSA-N 412.873 3.493 0 40 HGAB biogenic CCN1CC[C@]2(CN(CC(C)C)CC23CCN(C(=O)Cc2ccccc2)CC3)C1=O 96262640 LTTQAAHTEYQNJP-VWLOTQADSA-N 411.590 3.048 0 40 HGAB O=C(COc1ccccc1Cl)Nc1cc(OCc2ccc3c(c2)OCO3)ncn1 90593589 LXIDQDHXJGLBFD-UHFFFAOYSA-N 413.817 3.455 0 40 HGAB Cc1nc(NCCNC(=O)COc2ccc(Cl)cc2)cc(Nc2ccccn2)n1 90607917 BYQHAKQRSHHJBV-UHFFFAOYSA-N 412.881 3.184 0 40 HGAB CCCc1cc(C(=O)N[C@@H](Cn2nc(-c3cccs3)ccc2=O)C(C)C)no1 12185573 BLBMDJSVQDABJD-KRWDZBQOSA-N 400.504 3.367 0 40 HGAB COCc1cc(N2CCCC2)nc(C2=CCN(C[C@@H](O)c3ccc(OC)cc3)CC2)n1 12185801 DZZHDKNEUOPBRE-JOCHJYFZSA-N 424.545 3.055 0 40 HGAB Cc1ccc(SCC(=O)OCc2cc(=O)n3nc(CC(C)C)sc3n2)cc1 15734049 VFWQFEIMKWCLTN-UHFFFAOYSA-N 403.529 3.493 0 40 HGAB COc1cc(NC(=O)[C@H]2CC(=O)N(CCc3ccccc3)C2)c(OC)cc1Cl 15970262 ADINSOZZKJUDRV-HNNXBMFYSA-N 402.878 3.387 0 40 HGAB Cc1cc(=O)n2c(n1)NC(Nc1cccc(C(F)(F)F)c1)=N[C@H]2c1ccccn1 17081822 URQXMTCACIDMBA-MRXNPFEDSA-N 400.364 3.406 0 40 HGAB CCC(C)(C)n1nnnc1[C@@H](C(C)C)N1CCN(Cc2ccccc2OC)CC1 19499517 YEFXJKBRACTRNK-HXUWFJFHSA-N 400.571 3.342 0 40 HGAB Cc1ncsc1C(=O)NC1CCN(Cc2cc(-c3scnc3C)nn2C)CC1 19562495 QPWGKMWLJDMPCS-UHFFFAOYSA-N 416.576 3.011 0 40 HGAB O=C(NCc1ccccc1)[C@]1(Cc2ccccn2)CN(Cc2ccccc2F)CCO1 19700904 MEHYRJMTGLOPBA-VWLOTQADSA-N 419.500 3.351 0 40 HGAB CCn1c(=O)oc2cc(S(=O)(=O)Nc3cc(OC)c(Cl)cc3OC)ccc21 19936859 VCZLHSPLBAIOCA-UHFFFAOYSA-N 412.851 3.086 0 40 HGAB COc1ccc2[nH]cc(C(=O)CN3CCC(O)(Cn4cnc5ccccc54)CC3)c2c1 12234519 QOKXOFIUXVEXDH-UHFFFAOYSA-N 418.497 3.236 0 40 HGAB Cc1ccn(C[C@H](C)C(=O)N2CCC[C@@H](c3nc4ccc(F)cc4cc3C(N)=O)C2)n1 13227729 IJLITVBQPOADSP-GOEBONIOSA-N 423.492 3.020 0 40 HGAB Cc1cc(-c2snnc2[C@@H]2CCCN(C(=O)Cn3nc(C)c(Cl)c3C)C2)on1 13226011 SCWDZHYENXJWPW-CYBMUJFWSA-N 420.926 3.374 0 40 HGAB C[C@H](NC(=O)C(=O)c1cn(CC(=O)N2CCCC2)c2ccccc12)c1ccccc1 4272085 KGVHQSCQFRFHOR-KRWDZBQOSA-N 403.482 3.324 0 40 HGAB CCOc1ccccc1NC(=O)C(=O)NCCSc1nc(-c2ccccc2)c[nH]1 4315952 ARDZGQGALXQNEN-UHFFFAOYSA-N 410.499 3.322 0 40 HGAB Cc1ccc(CNC(=O)Cc2csc(NS(=O)(=O)c3ccccc3)n2)cc1 9828691 RGQWQGCBNONJCL-UHFFFAOYSA-N 401.513 3.111 0 40 HGAB CCCN1CCCc2cc(CCNC(=O)C(=O)Nc3ccc(F)cc3F)ccc21 11613007 KNMDDIOYQQVNQD-UHFFFAOYSA-N 401.457 3.425 0 40 HGAB Cc1cnc2c(S(=O)(=O)N3CCN(C(=O)c4sccc4C)CC3)cccc2c1 40074669 QTYFTAVQXABWKS-UHFFFAOYSA-N 415.540 3.060 0 40 HGAB Cn1c([C@H]2CCCCN2C(=O)C2CCN(c3ncccn3)CC2)nc2ccccc21 40156268 DYNOCKFUNZZXDH-HXUWFJFHSA-N 404.518 3.334 0 40 HGAB Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)NCCc3cn4ccccc4n3)C2)c1 40144485 CVANGNKQXYBKOP-LJQANCHMSA-N 404.514 3.162 0 40 HGAB CC(C)N1C[C@H](C(=O)Nc2ccc(Br)cc2Br)CC1=O 1105284 UGHGLFIGUFTSSU-SECBINFHSA-N 404.102 3.407 0 40 HGAB O=C(/C=C1\SC(=O)N(CC(=O)Nc2ccc(F)cc2)C1=O)Nc1ccc(F)cc1 1298515 NTPKTGNCKHPFGD-DHDCSXOGSA-N 417.393 3.121 0 40 HGAB CC(C)OC(=O)N[C@H](OCN1C(=O)c2ccccc2C1=O)C(Cl)(Cl)Cl 2689730 BKSKUZYQLIIQCV-CYBMUJFWSA-N 409.653 3.088 0 40 HGAB O=C1CN(C(=O)COC(=O)c2ccccc2OCc2ccccc2)c2ccccc2N1 3488395 GCRUBYYWSJUVCZ-UHFFFAOYSA-N 416.433 3.408 0 40 HGAB COCCCN1C(=O)c2ccc(C(=O)O[C@@H](C)C(=O)c3ccc(C)cc3)cc2C1=O 3525988 UOEUTFLKJXXXPR-HNNXBMFYSA-N 409.438 3.056 0 40 HGAB C[C@@H](Nc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccccc1Cl)c1ccccc1 4170048 BXCYKFKBHXOFNV-CYBMUJFWSA-N 409.877 3.298 0 40 HGAB O=C(CN1CCC(C(=O)c2ccccc2)CC1)Nc1ccccc1N1CCOCC1 4858900 IHHKZSBZESLSIV-UHFFFAOYSA-N 407.514 3.057 0 40 HGAB CCCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc2c(cc1Br)OCO2 5002931 XAYLFDUIELCGDD-OAHLLOKOSA-N 411.252 3.149 0 40 HGAB CS(=O)(=O)Nc1cccc(C(=O)OCc2cc(=O)oc3cc4c(cc23)CCC4)c1 5602332 WWRGVIPIEHBFDM-UHFFFAOYSA-N 413.451 3.010 0 40 HGAB C[C@@H](O)CNc1nc2ccccc2n1CC(=O)Nc1ccc(OC(F)(F)F)cc1 6590581 MGTJQDTUDTXTHA-GFCCVEGCSA-N 408.380 3.366 0 40 HGAB CCc1nnc2n1N[C@H](c1ccc(F)cc1)[C@H](C(=O)Nc1ccccc1OC)S2 6812132 QNHCMLLCIKAYSA-QZTJIDSGSA-N 413.478 3.386 0 40 HGAB CCc1ccc(S(=O)(=O)c2nnn(-c3ccc(Br)cc3)c2N)cc1 6817527 MSLMAQTXTLCTMM-UHFFFAOYSA-N 407.293 3.007 0 40 HGAB COC(=O)c1sc2cccc(F)c2c1S(=O)(=O)Nc1ccc2c(c1)OCO2 7428371 XFYUCTUCLGTMLQ-UHFFFAOYSA-N 409.416 3.357 0 40 HGAB O=C(Cc1c[nH]c2ccccc12)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@@H]1CCCO1 7717858 PHHPOTOGZMCYKK-KRWDZBQOSA-N 416.481 3.155 0 40 HGAB COc1ccccc1CNC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccco1 7736756 LDWPDLLHMGNTLA-UHFFFAOYSA-N 410.426 3.488 0 40 HGAB O=C(O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(Br)cc3)C2)cc1 7882046 PTCKJDOFOQQHGN-LBPRGKRZSA-N 403.232 3.139 0 40 HGAB C[C@H]1C[C@@H]1c1ccc(/C=C/C(=O)N2CCN(S(=O)(=O)c3cccs3)CC2)o1 8982434 KGKFFHNRLUAVSU-YOFOWSBGSA-N 406.529 3.011 0 40 HGAB CCOc1ccc(OCC)c(NCC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)c1 9157484 FRXUYVDWMBWXTQ-UHFFFAOYSA-N 415.446 3.015 0 40 HGAB Cc1ccc(Cn2c(=O)c3c(nc4n3CCN4c3cccc(Cl)c3)n(C)c2=O)cc1 9243154 DSXXVLDVPPLRPF-UHFFFAOYSA-N 421.888 3.059 0 40 HGAB CCn1c(C)c(C)n2c3c(=O)n(Cc4ccc(Cl)cc4Cl)c(=O)n(C)c3nc12 9297227 KUMYMYUYHOABKV-UHFFFAOYSA-N 420.300 3.141 0 40 HGAB Cn1c(=O)n(Cc2ccccc2)c(=O)c2c1nc1n2CCCN1c1cccc(Cl)c1 9519179 XDDBEOCEWLUVHD-UHFFFAOYSA-N 421.888 3.140 0 40 HGAB CN(C)S(=O)(=O)c1cccc(NC(=O)CSc2nc3ccc(Cl)cc3[nH]2)c1 9662794 RDSOCJXBQQZOES-UHFFFAOYSA-N 424.935 3.197 0 40 HGAB C[C@@H](NC(=O)c1ccc(-n2cnc3ccccc32)cc1)c1ccc(S(N)(=O)=O)cc1 9671124 ZORDFGHJMOXENQ-OAHLLOKOSA-N 420.494 3.164 0 40 HGAB CN(C)c1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cc(F)cc(F)c1 9955277 JMSRRWDEHGLYPU-UHFFFAOYSA-N 423.485 3.458 0 40 HGAB Cc1ccc(N(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)Cc2ccccc2)cc1 10504561 SCNQJIMOJMTCSR-UHFFFAOYSA-N 409.511 3.288 0 40 HGAB O=C(O)c1ccc(S(=O)(=O)N2CCC3(CC2)Nc2ccccc2-n2cccc23)cc1 12113182 JTSXRHQNDNCSTO-UHFFFAOYSA-N 423.494 3.281 0 40 HGAB COc1ccccc1C1=NO[C@@H](CC2(C(=O)NCc3ccncc3)CCOCC2)C1 12132219 MEVIZZKOTLOZTK-GOSISDBHSA-N 409.486 3.087 0 40 HGAB CC(=O)c1ccc(NC(=O)Cn2cnc3c(cnn3-c3cccc(Cl)c3)c2=O)cc1 12237720 XMGFWEANJFJNFQ-UHFFFAOYSA-N 421.844 3.077 0 40 HGAB COc1cccc(CC(=O)N2CCC(c3nc(O)cc(-c4ccccn4)n3)CC2)c1 12256380 KINMMRLFYGUOCL-UHFFFAOYSA-N 404.470 3.202 0 40 HGAB Cc1cnc2c(S(=O)(=O)N(C)Cc3ccc(C(=O)NC4CC4)cc3)cccc2c1 12538273 MHHTZDAALMPFKR-UHFFFAOYSA-N 409.511 3.256 0 40 HGAB Cc1nc(-c2ccc(CCNC(=O)c3cccc(S(C)(=O)=O)c3)cc2)cs1 12620883 RGOWEKLBDAUOGQ-UHFFFAOYSA-N 400.525 3.495 0 40 HGAB Cc1cccc(-c2nnc(S)n2CC(=O)N(C)CC(=O)Nc2cccc(C)c2C)c1 12864475 ULHGPNJVCSNJSU-UHFFFAOYSA-N 423.542 3.256 0 40 HGAB O=C(COCC(=O)Nc1ccc(OC(F)F)cc1)Nc1ccc(OC(F)F)cc1 12874255 DUERLNIPVPFRLX-UHFFFAOYSA-N 416.327 3.483 0 40 HGAB O=C(CSc1nnnn1-c1cccc(F)c1)N1CCS[C@@H]1c1ccccc1F 13163923 RRNGFZQINFOWBS-QGZVFWFLSA-N 419.482 3.307 0 40 HGAB Cc1cc(-c2snnc2[C@H]2CCCN(C(=O)[C@@H](C)Cn3ccc(C)n3)C2)on1 13227735 LGEOHXWOCSOJPJ-WFASDCNBSA-N 400.508 3.049 0 40 HGAB CC[C@@H](C(=O)Nc1ccc(NC(C)=O)cc1)N(c1ccc(C)cc1)S(C)(=O)=O 13713626 HVORZNXAZUOYME-IBGZPJMESA-N 403.504 3.137 0 40 HGAB O=C(Cn1cnc2c(sc3nc(-c4ccco4)c4c(c32)CCC4)c1=O)N1CCCC1 13723105 YXIZWQOJLQHOHB-UHFFFAOYSA-N 420.494 3.377 0 40 HGAB COc1ccc(NC(=O)c2nn([C@H]3CCS(=O)(=O)C3)c3c2CCCC3)cc1Cl 13734066 ACNRSMKBYQSYPO-ZDUSSCGKSA-N 423.922 3.036 0 40 HGAB CS(=O)(=O)N1CCCC[C@@H]1C(=O)Nc1nc2c(Cl)c(Cl)ccc2s1 13792919 LZXMLWOZGJTEMM-SECBINFHSA-N 408.332 3.356 0 40 HGAB CC(=O)c1cccc(S(=O)(=O)NCc2ccc(COCC(F)(F)F)cc2)c1 14099673 NPQXQJONGWJXEV-UHFFFAOYSA-N 401.406 3.447 0 40 HGAB COc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Sc2nncn2C)cc1 14246713 DEBAEJNOIRYYSI-UHFFFAOYSA-N 410.908 3.429 0 40 HGAB O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1cccc(I)c1 14602428 ZTINVCNTDPUGFZ-KRWDZBQOSA-N 406.267 3.296 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCC[C@@H]2CC(=O)Nc2ccc(F)cc2)cc1 15391140 OJARMFRCIMYSNS-QGZVFWFLSA-N 406.479 3.406 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=S)NN2[C@@H](C)CCC[C@H]2C)c1 16190896 SFRDHQRTQLFHLV-IYBDPMFKSA-N 412.625 3.490 0 40 HGAB COc1cc(OC)cc(-c2noc(Cn3nc(-c4ccc(F)cc4)ccc3=O)n2)c1 16845632 JMNOKHSVCHOFHM-UHFFFAOYSA-N 408.389 3.165 0 40 HGAB CSc1ccc(CC(=O)Nc2nc3ccc(S(=O)(=O)N(C)C)cc3s2)cc1 16913858 DLBVFMQKTFTCOR-UHFFFAOYSA-N 421.569 3.450 0 40 HGAB COCC(=O)N1CCC[C@@H]([C@@H]2C[C@H](C(F)(F)F)n3nc(C(C)(C)C)cc3N2)C1 19084042 ZAHQSRPKGICUGV-VNHYZAJKSA-N 402.461 3.353 0 40 HGAB Cc1ccc2c(c1)C(=O)N([C@@H](C)C(=O)N1CCCC[C@H]1C)CC1(CCOCC1)O2 19218641 KRWZBJSVUNHMCN-MSOLQXFVSA-N 400.519 3.168 0 40 HGAB CCNC(=O)[C@@]1(Cc2ccc(-c3ccsc3)cc2)CCN(C(=O)c2cc[nH]n2)C1 19528990 PIQWLLKFVDYMPI-JOCHJYFZSA-N 408.527 3.349 0 40 HGAB CC(C)(C)NC(=O)CNC(=O)CC1CCN(Cc2cccc(C(F)(F)F)c2)CC1 19748339 ZHWPUPCRIUQHFQ-UHFFFAOYSA-N 413.484 3.338 0 40 HGAB COc1ccc([C@@H](CNC(=O)c2cc(=O)c3cc(Cl)ccc3o2)N(C)C)cc1 20932298 OUMQDKXLDHQNOV-QGZVFWFLSA-N 400.862 3.488 0 40 HGAB Cc1c(C(=O)Nc2nc(CN3CCOCC3)cs2)[nH]c2c1C(=O)CC(C)(C)C2 21128866 FMTKBDRLAGSHOK-UHFFFAOYSA-N 402.520 3.019 0 40 HGAB COc1cc(CNc2nnnn2C)cc(Br)c1OCc1ccc(F)cc1 22112130 HQTYHTAYSLGMCL-UHFFFAOYSA-N 422.258 3.311 0 40 HGAB Cc1ccc(N(CC(=O)NCc2cccc(OC(C)C)c2)S(C)(=O)=O)cc1C 22329441 HSFQXNWDGLBCIW-UHFFFAOYSA-N 404.532 3.173 0 40 HGAB Cc1ccc(-c2cc(C(=O)NC[C@@H](c3ccc(C)o3)N3CCN(C)CC3)no2)cc1 22938486 XKCANDMMFQLQMX-FQEVSTJZSA-N 408.502 3.270 0 40 HGAB CCn1ncc(S(=O)(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1C 23379140 BLFWAOBZFXGPSM-UHFFFAOYSA-N 424.570 3.307 0 40 HGAB C[C@@H](C(=O)NC(=O)Nc1ccc2c(c1)OCCO2)N1CCC(c2ccccc2)CC1 24748069 WSRXLKCKBFVGTI-INIZCTEOSA-N 409.486 3.374 0 40 HGAB COc1ccc(-n2cnnc2SCC(=O)Nc2cc(OC)c(OC)cc2C)cc1 24838298 ZCFRIOLGJZONIC-UHFFFAOYSA-N 414.487 3.332 0 40 HGAB Cc1cc(C)c(NC(=O)CSc2nn3c(=O)c(C(C)(C)C)nnc3s2)c(C)c1 27525558 NYERVVFRKZZNIN-UHFFFAOYSA-N 417.560 3.500 0 40 HGAB Cc1ccc([C@@H](CNC(=O)c2cc(-c3ccccc3)on2)N2CCN(C)CC2)cc1 28296058 OQLPJCBZXXJACO-JOCHJYFZSA-N 404.514 3.369 0 40 HGAB COc1ccc(COC(=O)c2ccccc2S[C@@H]2CCS(=O)(=O)C2)cc1F 32745488 RSCKMVKCJCOSQE-CQSZACIVSA-N 410.488 3.471 0 40 HGAB NS(=O)(=O)Nc1cccc(CNC(=O)c2sc3cc(F)ccc3c2Cl)c1 32754047 SIASISFYMYGBKH-UHFFFAOYSA-N 413.883 3.239 0 40 HGAB Cc1ccc(S(=O)(=O)c2nc(-c3cccs3)oc2N2CCN(C)CC2)cc1 33812751 UHXQAHZFDJJEPB-UHFFFAOYSA-N 403.529 3.296 0 40 HGAB O=C(NC12CC3CC(CC(C3)C1)C2)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 35289348 ABDIVXSFXQICMB-IXYLRAAXSA-N 406.523 3.064 0 40 HGAB Cc1sc(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)c(C(=O)NC2CCCC2)c1C 35897781 AKDBQQILZLOGFY-GFOFROLCSA-N 402.516 3.499 0 40 HGAB Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)OC(=O)c1cc2c(s1)CCC2 39514625 OBBYAIAMEPPTGY-AWEZNQCLSA-N 400.500 3.154 0 40 HGAB COC(=O)CNC(=O)c1ccc(NC(=O)N(C)[C@@H](C)c2ccc(Cl)cc2)cc1 40104129 DOSHWVUARLXIMV-ZDUSSCGKSA-N 403.866 3.468 0 40 HGAB CN(Cc1cnn(-c2ccccc2)c1)C(=O)c1ccc(OCc2nccn2C)cc1 40119569 CDOWJHVQIUZVAO-UHFFFAOYSA-N 401.470 3.457 0 40 HGAB Cc1sc2nc(CS[C@H](C)C(=O)NCCCCn3ccnc3)[nH]c(=O)c2c1C 40157609 STQKQTLUKOVXED-CQSZACIVSA-N 419.576 3.016 0 40 HGAB COc1ccc(Cc2nnc(NC(=O)[C@H]3CC(=O)N(C)[C@H]3c3ccccc3)s2)cc1 40268920 PSWZRQGUYVEBAF-PXNSSMCTSA-N 422.510 3.296 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@@H](C)c3ccc(C)cc3)C2)cc1 44885257 OPMSFPHJQLVQTM-PKOBYXMFSA-N 416.543 3.282 0 40 HGAB CCOc1ccccc1[C@@H]1NC(=O)NC(CN(CC)Cc2ccccc2)=C1C(=O)OC 57415676 MFZMAPJGDZWLLK-QFIPXVFZSA-N 423.513 3.388 0 40 HGAB CCn1ccnc1CN1CCN(CCC(=O)Nc2ccccc2SC)C[C@@H]1C 72268112 GSOHWYJYLXPOSS-KRWDZBQOSA-N 401.580 3.160 0 40 HGAB CC(C)OCCS(=O)(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 72307504 PQQNLBPLPJYMHW-UHFFFAOYSA-N 402.560 3.148 0 40 HGAB O=S(=O)(c1cn[nH]c1)N1CCC[C@H](c2cccc(Cc3cccc(F)c3)n2)C1 72350431 IZEBZSGOWFBRDF-INIZCTEOSA-N 400.479 3.103 0 40 HGAB CC[C@@H](NC(=O)C1CCN(c2ncnc3sc(C)c(C)c23)CC1)c1noc(C)n1 78971766 FIQLZMVPIYBVSM-OAHLLOKOSA-N 414.535 3.483 0 40 HGAB CCc1c(O)nc(SCc2nnc(C(C)C)n2C)n(-c2ccccc2OC)c1=O 95351237 XHXUZSBWYSZVAR-UHFFFAOYSA-N 415.519 3.053 0 40 HGAB CCOc1ccc([C@H](C)NC(=O)CCN2C(=O)[C@H]3CCCC[C@H]3C2=O)cc1OCC 102819152 QSWFBNJXSGZCBK-RYQLBKOJSA-N 416.518 3.227 0 40 HGAB O=C(CN1C(=O)S/C(=C\c2ccccc2Br)C1=O)N1CCCCC1 106769681 HJSWRWMAWHVAGT-UVTDQMKNSA-N 409.305 3.498 0 40 HGAB Cc1ccc(S(=O)(=O)CCC(=O)OCC(=O)Nc2ccc(Cl)cc2)cc1C 138520163 WGHUIEUJEYWZQX-UHFFFAOYSA-N 409.891 3.303 0 40 HGAB CC[C@H](C)NS(=O)(=O)c1cc(C(=O)O)ccc1NCCc1ccc(OC)cc1 217429574 NZADAERPFJLJSU-AWEZNQCLSA-N 406.504 3.125 0 40 HGAB Cc1cccc(CNC(=O)CN(c2ccc(C(F)(F)F)cc2)S(C)(=O)=O)c1 220049085 ZWVOBPIKOODPRY-UHFFFAOYSA-N 400.422 3.096 0 40 HGAB CCOC(=O)c1cccc(NC(=O)[C@H](C)N(c2cccc(C)c2)S(C)(=O)=O)c1C 220143182 FMCQPGKOFSEYAP-INIZCTEOSA-N 418.515 3.273 0 40 HGAB CCc1ccc(OCCNC(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)cc1 223633206 UFGQVSCMIOORGY-UHFFFAOYSA-N 418.559 3.334 0 40 HGAB Cc1cc(OCC(=O)NC[C@H]2COc3ccccc3O2)cc(C)c1Br 225260200 HGRHQHGDUZZHNM-HNNXBMFYSA-N 406.276 3.401 0 40 HGAB CNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)Cc1ccc(OC)cc1 225465255 VBVJYSBYKMHQJW-AWEZNQCLSA-N 419.319 3.164 0 40 HGAB COc1cc([C@H]2OCC[C@@]34C[C@@H](C[C@H]23)C(C)(C)[C@H]4NC(C)=O)cc2c1OCCO2 257247467 IZCZFBTUEUMOOE-LOTCNJNZSA-N 401.503 3.485 0 40 HGAB COc1ccc(-c2ccc3c([C@H]4CN(Cc5ccncc5)CCO4)nnn3c2)cc1 306124279 BLMSVKBLXAFTIB-JOCHJYFZSA-N 401.470 3.373 0 40 HGAB CC(C)n1cnc([C@H]2CN(Cc3ccco3)C[C@@]23CCN(Cc2ccncc2)C3=O)c1 306133215 MFKDTSHKJNOXDP-QPPBQGQZSA-N 419.529 3.470 0 40 HGAB COc1ccc(CN2CC[C@@]3(C2)CN(C(C)C)S(=O)(=O)c2ccccc2O3)cc1 306140076 UIZNOZDIRVHBIA-JOCHJYFZSA-N 416.543 3.131 0 40 HGAB Cc1c(Cl)cccc1N(CC(=O)NC12CC3CC(CC(C3)C1)C2)S(C)(=O)=O 408630027 MKMYRZZLJMSZIH-UHFFFAOYSA-N 410.967 3.499 0 40 HGAB CC[C@@H](Oc1ccccc1OC)C(=O)Nc1cc(C(=O)OC)ccc1C(=O)OC 408677273 AYWTWLNSVYJQBI-MRXNPFEDSA-N 401.415 3.065 0 40 HGAB O=C1CN(CCNC(=O)c2oc3ccccc3c2CSCc2ccccc2)CCN1 510907993 DVFYMZOIQBFXFZ-UHFFFAOYSA-N 423.538 3.028 0 40 HGAB Cc1noc(C)c1C(=O)N1CCC2(CC1)CN(Cc1ccccc1)C[C@@]21CCOC1 585113475 OARFUQUWBBCVBV-XMMPIXPASA-N 409.530 3.436 0 40 HGAB FC(F)(F)c1ccc(N2CC[C@H](COc3ccc4nnc(C5CC5)n4n3)C2)cn1 1888890978 CPSKOINLZSBGAO-LBPRGKRZSA-N 404.396 3.321 0 40 HGAB Cc1ccc(C(=O)Nc2ccccc2C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)O)cc1 1322304 XGZCRJKXOPENTC-OAQYLSRUSA-N 418.449 3.379 0 40 HGAB biogenic CN(C(=O)C(=O)c1cn(CC(=O)N2CCCCC2)c2ccccc12)c1ccccc1 3015385 BZWIYHZJWHNEDO-UHFFFAOYSA-N 403.482 3.500 0 40 HGAB O=C(NCCSc1nc(-c2ccccc2)c[nH]1)C(=O)Nc1ccc(F)cc1F 4315866 XKOTZLMAEMWGSH-UHFFFAOYSA-N 402.426 3.202 0 40 HGAB CC(C)CNC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 4977003 UMVRDVGJTQYTQO-UHFFFAOYSA-N 408.951 3.346 0 40 HGAB CN(C)c1ccc(NS(=O)(=O)c2ccc(I)cc2)cc1 5045009 VDAFIVMTDIEELJ-UHFFFAOYSA-N 402.257 3.158 0 40 HGAB COc1cccc2c1OC1(CCN(C)CC1)N1N=C(c3ccc4c(c3)OCCO4)C[C@@H]21 5093698 NXHGHQPICZLDGO-IBGZPJMESA-N 421.497 3.432 0 40 HGAB Cc1cc2oc(=O)cc(COC(=O)[C@@H]3CS[C@]4(C)CCC(=O)N34)c2cc1Cl 5876518 VNLHRDYFNFDGTA-IFXJQAMLSA-N 407.875 3.252 0 40 HGAB O=C(NCCc1ccc(Cl)cc1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 6322019 QCLWEPAUSNTSBI-UHFFFAOYSA-N 406.935 3.487 0 40 HGAB CN(C)Cc1ccc(CNC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)cc1 6983485 WEDCVMODUWUOLF-UHFFFAOYSA-N 423.538 3.479 0 40 HGAB COc1ccccc1C(=O)N1CCc2cc(S(=O)(=O)NC3CCCC3)ccc21 8048351 UOCDDIWPVZYZCI-UHFFFAOYSA-N 400.500 3.119 0 40 HGAB NC(=O)[C@@H]1CCCN(C(=O)/C=C/c2cn(Cc3ccccc3)nc2-c2cccs2)C1 8156175 MFDFOGWUAABJIE-GNISGLHKSA-N 420.538 3.397 0 40 HGAB COc1ccc(C(=O)OCC(=O)Nc2ccc(C(=O)OCC(C)C)cc2)c(OC)c1 8433761 LLOPMJNBZKLTNT-UHFFFAOYSA-N 415.442 3.312 0 40 HGAB O=C(CNC(=O)C(=O)NCCC1=CCCCC1)Nc1ccccc1Cc1ccccc1 8882095 FLDIFBYXHMPTBR-UHFFFAOYSA-N 419.525 3.339 0 40 HGAB CCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCC(C)(C)C(=O)N3C)cc1F 9165908 LHZLPCTYYADOMK-UHFFFAOYSA-N 422.478 3.407 0 40 HGAB COc1cccc(-c2noc(CN3C(=O)N[C@@]4(CCCc5ccccc54)C3=O)n2)c1 9218614 QCRQYQSMCMPKSV-JOCHJYFZSA-N 404.426 3.029 0 40 HGAB C[C@H]1C(=O)Nc2ccc(C(=O)CSc3nnc(NC[C@H]4CCCO4)s3)cc21 9503359 IIAQGISLDXQNCR-ZYHUDNBSSA-N 404.517 3.160 0 40 HGAB C[C@]1(c2cc3ccccc3o2)NC(=O)N(CC(=O)N2CCC[C@@H]3CCCC[C@@H]32)C1=O 9549283 VZQUFYNMEQTFCH-WSZRMNBISA-N 409.486 3.381 0 40 HGAB Nc1nnc(SCC(=O)N(Cc2cccs2)c2ccc3c(c2)OCCO3)s1 9873175 SPDUIHMPMGKDDH-UHFFFAOYSA-N 420.541 3.279 0 40 HGAB NS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(-c3cn4ccccc4n3)cc2)cc1 10322060 TXFVZQAZZRUIFA-UHFFFAOYSA-N 420.494 3.220 0 40 HGAB Cn1c(SCC(=O)Nc2ccc3c(c2)OCCCO3)nnc1-c1cccs1 10710213 LLXCMSXVJHRJTE-UHFFFAOYSA-N 402.501 3.436 0 40 HGAB COCC(=O)N1CCC(Oc2ccc(C(=O)N[C@H](C)Cc3ccsc3)cc2)CC1 11709309 UUUWGEQMSWRJFK-MRXNPFEDSA-N 416.543 3.125 0 40 HGAB CC(=O)N1c2ccc([C@H](O)CN3CCC(O)(c4ccccc4F)CC3)cc2C[C@H]1C 12146829 ZGOICTZVXJJBKG-WAIKUNEKSA-N 412.505 3.140 0 40 HGAB CCS(=O)(=O)N1CCCc2cc(NS(=O)(=O)Cc3cccc(C)c3)ccc21 12180525 GHLULOMBEJSXOF-UHFFFAOYSA-N 408.545 3.039 0 40 HGAB Cc1ccc(S(=O)(=O)N2Cc3cc(C)ccc3OC3(CCN(C)CC3)C2)cc1 12365212 QDQJDPXQYBMAPI-UHFFFAOYSA-N 400.544 3.351 0 40 HGAB COc1cc(C(=O)Cn2cnc3sc4c(c3c2=O)CCC4)ccc1OC(F)F 12772198 SRJXQMRUEPUHFB-UHFFFAOYSA-N 406.410 3.440 0 40 HGAB COc1ccc(NC(C)=O)cc1S(=O)(=O)N(C)Cc1nc2ccccc2s1 12805274 ARURTSFTIMAKFP-UHFFFAOYSA-N 405.501 3.084 0 40 HGAB Cc1sc2ncnc(SCCC(=O)Nc3ccc(S(N)(=O)=O)cc3)c2c1C 12853527 KGMOCOGZQAXWRZ-UHFFFAOYSA-N 422.557 3.076 0 40 HGAB O=C(C1CCN(S(=O)(=O)c2ccccc2F)CC1)N1CCCc2ccccc21 12982755 DSKYQIHSMZISHY-UHFFFAOYSA-N 402.491 3.206 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)NCc2ccccc2F)cc1 12996453 CRLGDTBRFZCOAP-HNNXBMFYSA-N 407.511 3.417 0 40 HGAB CC(C)[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N(C)Cc1cccc(Cl)c1 13005860 JIQMSTDKOCOBKN-SFHVURJKSA-N 419.934 3.062 0 40 HGAB COC(=O)c1sccc1S(=O)(=O)N(C)Cc1c(C)nn(-c2ccccc2)c1C 13014146 SHLQUJRHCJNCSV-UHFFFAOYSA-N 419.528 3.158 0 40 HGAB COc1ccc(F)cc1C(=O)CN1C(=O)N[C@](C)(c2ccc(OC(F)F)cc2)C1=O 13121493 HZZJMLUHECZXDU-HXUWFJFHSA-N 422.359 3.086 0 40 HGAB COc1ccc(-c2nc(S(=O)(=O)c3ccc4c(c3)OCCO4)c(N(C)C)o2)cc1 13683335 LFZCCQQPYTZQHB-UHFFFAOYSA-N 416.455 3.020 0 40 HGAB O=S1(=O)c2ccccc2[C@@H](O)[C@@H](Cc2cccnc2)N1CCCc1ccccc1 13693515 WDIRFMQKHHEAPU-FYYLOGMGSA-N 408.523 3.363 0 40 HGAB COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N[C@@H](C)c2ccncc2)c1 14094127 PGYJVHUWUAMIIW-HNNXBMFYSA-N 411.483 3.382 0 40 HGAB COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N[C@H](C)c2ccncc2)c1 14094128 PGYJVHUWUAMIIW-OAHLLOKOSA-N 411.483 3.382 0 40 HGAB CCN(CC(=O)NCc1ccc(Cl)cc1)CC(=O)Nc1ccccc1C(C)=O 14138698 JKNLHJMAGIZWCI-UHFFFAOYSA-N 401.894 3.119 0 40 HGAB CN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)Cn1c(C(F)(F)F)nc2ccccc21 14371082 PWBASBSGFJNIFX-UHFFFAOYSA-N 421.404 3.012 0 40 HGAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1 14401868 QNQUJPJHHVGADO-WIYYLYMNSA-N 412.486 3.400 0 40 HGAB O=C(Nc1nc(CC(=O)N2CCN(c3ccc(F)cc3)CC2)cs1)c1ccco1 15424588 XIHJNDTURBCUPE-UHFFFAOYSA-N 414.462 3.019 0 40 HGAB CCc1ccc(Cn2nccc2NC(=O)CCN2C(=O)c3ccccc3C2=O)cc1 15613500 RSBMOPSVWVJZSF-UHFFFAOYSA-N 402.454 3.119 0 40 HGAB CCOC(=O)[C@@H]1CCCN([C@@H](c2cccs2)c2sc3nc(CC)nn3c2O)C1 16690079 UDDGGNMQFSPRFE-DOMZBBRYSA-N 420.560 3.485 0 40 HGAB Cc1nc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cc(C(C)(C)C)n[nH]2)cc(=O)[nH]1 19285137 PBSANUGNSTVLIY-QGZVFWFLSA-N 418.501 3.294 0 40 HGAB O=C(CN1CCC(O)(Cn2ncc3ccccc32)CC1)c1c[nH]c2ccc(F)cc12 19376583 YEZOTXMNONPGSX-UHFFFAOYSA-N 406.461 3.367 0 40 HGAB Cc1ncc(C(=O)N2CCC[C@@H](c3nc(C)c4c(n3)N(CC3CC3)CCC4)C2)c(C)n1 19706894 GXJPJRFRAHVYFS-LJQANCHMSA-N 420.561 3.374 0 40 HGAB COc1ccc(N2C[C@H](NC(=O)c3cc4ccc(OC)cc4nc3C)CC2=O)cc1 19715196 RREOZHUNYHATCR-MRXNPFEDSA-N 405.454 3.096 0 40 HGAB COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)C[C@@H]1C(=O)Nc1ccccc1F 19819162 IBFIGENJHPBGRI-HNNXBMFYSA-N 400.381 3.403 0 40 HGAB O=C(NCCc1ccccc1)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1 19860687 DILWWQMMYFGPDA-LJQANCHMSA-N 420.962 3.241 0 40 HGAB CC(=O)c1ccc(S(=O)(=O)NCCC(=O)N(C)[C@@H](C)c2ccc(F)c(F)c2)cc1 22417490 JQBIEIGQWQKSFY-ZDUSSCGKSA-N 424.469 3.055 0 40 HGAB COc1ccc(/C=C/C(=O)N[C@@H](c2cc(OC)cc(OC)c2)c2nccn2C)cc1 22469915 JEIFEFVBXJQNFU-FNNXTJRKSA-N 407.470 3.365 0 40 HGAB COC(=O)C1CCN([C@H](c2ccc(F)c(F)c2)c2sc3nc(C)nn3c2O)CC1 22626354 JMODRUYKZNTBLX-OAHLLOKOSA-N 422.457 3.057 0 40 HGAB Cc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1ccc(CN2C(=O)CNC2=O)cc1 23055761 YKDWOELSSQCOBY-UHFFFAOYSA-N 415.515 3.145 0 40 HGAB COc1cc(/C=C/C(=O)NCC(C)(C)N2C[C@@H](C)O[C@H](C)C2)ccc1OC(C)C 23181400 FTURNMGDEIBBGQ-OXTNJRTLSA-N 404.551 3.500 0 40 HGAB CCOC(=O)c1cnn(-c2ccc(C(=O)N3CCN(c4ccccc4)CC3)cc2)c1C 24647786 ZIJYCGKIPOOTKK-UHFFFAOYSA-N 418.497 3.320 0 40 HGAB O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)Nc1ccccc1SC(F)F 24839628 WARZRCLKJGNFAN-UHFFFAOYSA-N 417.437 3.012 0 40 HGAB O=C(COc1cccc(NC(=O)c2ccco2)c1)Nc1cccnc1-n1cccn1 25012478 XGJDBMIBSFQGQB-UHFFFAOYSA-N 403.398 3.130 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2Cc1ccc(C(=O)OC)cc1 25436912 ASBGZBLLYIKIGW-UHFFFAOYSA-N 402.516 3.066 0 40 HGAB C[C@@H](NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1)c1ccc(C(F)(F)F)cc1 28328099 SXMSOEQQHRNWJG-LLVKDONJSA-N 407.435 3.148 0 40 HGAB Cc1noc(C)c1COc1ccc(CC(=O)NCc2ccc(-n3ccnc3)nc2)cc1 31909973 NITABWRATQXJEY-UHFFFAOYSA-N 417.469 3.310 0 40 HGAB CCn1cc(-c2nnc(SCC(=O)Nc3cccc(C(F)(F)F)c3)n2C)cn1 32604058 WNLSSLMBGAJNEX-UHFFFAOYSA-N 410.425 3.448 0 40 HGAB Cc1nn(-c2ccccc2)c(C)c1CNC(=O)NCc1ccc(Cn2cncn2)cc1 32809203 VKNYZFUZLJANJX-UHFFFAOYSA-N 415.501 3.128 0 40 HGAB COc1ccccc1N1CCN([C@@H](c2ccccc2F)c2nnnn2C(C)(C)C)CC1 35292095 SRWQLTYAQAMABW-NRFANRHFSA-N 424.524 3.487 0 40 HGAB O=C(CCc1ccccc1)NC1CCN(C(=O)c2ccc(C(F)(F)F)cn2)CC1 36390707 SXIFANCECZLRAK-UHFFFAOYSA-N 405.420 3.454 0 40 HGAB CCCc1nnc(S)n1CC(=O)NCc1ccccc1CN1CCC[C@H](C)C1 36391248 CAWLQCNYQPQYCC-INIZCTEOSA-N 401.580 3.068 0 40 HGAB C[C@@H]1CCCC[C@H]1NC(=O)CC[C@H]1N=C(O)N(CCc2c[nH]c3ccccc23)C1=O 36601809 JCHMEGONFIBRDV-XFQXTVEOSA-N 410.518 3.310 0 40 HGAB biogenic C[C@@H](Sc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 36697012 AIRDUEZRCANJHS-CQSZACIVSA-N 414.512 3.397 0 40 HGAB CC[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)c2ccc3c(c2)OCO3)C1=O 36772814 FAZXQSKNNQGTLD-FQEVSTJZSA-N 400.818 3.109 0 40 HGAB CC(C)C(NC(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(C(C)(C)C)ccc2O1)C(C)C 38849208 UJKJLFMREAEFLC-SFHVURJKSA-N 410.580 3.308 0 40 HGAB Cc1ccc(CCCC(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1 40140256 ZZBJPHNCNLYXSI-UHFFFAOYSA-N 416.543 3.286 0 40 HGAB CC(C)(C)[C@@H](CN1CCc2ccccc2C1)NC(=O)CN1C(=O)COc2ccccc21 40142733 JQEZXAOGLWLDDD-JOCHJYFZSA-N 421.541 3.001 0 40 HGAB CN1C(=O)c2ccccc2[C@H](C(=O)NCc2cccnc2)[C@@H]1c1ccc2c(c1)OCO2 40267924 LGFDVHZETKFAGF-VXKWHMMOSA-N 415.449 3.037 0 40 HGAB CN(C)C(=O)Cc1ccc(NC(=O)NCc2ccc(N3CCCCCC3)nc2)cc1 48311118 LBIUNHYNSRTCFT-UHFFFAOYSA-N 409.534 3.414 0 40 HGAB CCc1ccc(NC(=O)[C@H](C)N2CCN(CCCOCC(F)(F)F)CC2)cc1 48332831 TXAWNTLLXBQDIL-INIZCTEOSA-N 401.473 3.163 0 40 HGAB COC[C@H](Cc1ccccc1)NC(=O)Cc1csc(NC(=O)c2ccoc2C)n1 72309311 IQEHLYDVBPMGLT-INIZCTEOSA-N 413.499 3.213 0 40 HGAB Cc1cc(-c2cnc(N3CCOCC3)nc2C2CCN(c3ccccn3)CC2)on1 72342351 DQMDNHIXBWWQRE-UHFFFAOYSA-N 406.490 3.056 0 40 HGAB Cn1nc2cc(Br)ccc2c1C(=O)NC1CCN(c2nccs2)CC1 96099812 BLHXVZUSLWSXBI-UHFFFAOYSA-N 420.336 3.191 0 40 HGAB FC1(F)Oc2c(I)ccc(I)c2O1 96171558 NJRIBDNINQICDE-UHFFFAOYSA-N 409.895 3.217 0 40 HGAB CCc1cc(O)n2nc([C@@H]3CCCN(C(=O)c4ccc(OC)c(OC)c4)C3)cc2n1 100138057 UKYQZCQCZCUVIC-OAHLLOKOSA-N 410.474 3.034 0 40 HGAB CC(=O)N(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@@H]2C1=O)c1cccc(C(F)(F)F)c1 101418416 AMEPTHAOWIUPIS-SUMCQTLJSA-N 404.388 3.069 0 40 HGAB COc1ccccc1NC(=O)[C@@H](Cc1ccccc1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 101465293 RBMCLHXVZKWHQE-CLOMZQOJSA-N 418.493 3.276 0 40 HGAB COc1ccc(N(CCCC(=O)N[C@H]2CCCc3ccccc32)S(C)(=O)=O)cc1 113960927 LPTCZPVIPRFWIZ-NRFANRHFSA-N 416.543 3.435 0 40 HGAB CC(C)Oc1ccc(CNC(=O)c2ccc(N(C)S(C)(=O)=O)cc2Cl)cc1 222521596 RCXSTIAURNEKLG-UHFFFAOYSA-N 410.923 3.453 0 40 HGAB CCOc1cccc(CN(C)S(=O)(=O)c2ccc3c(c2)CCCN3C(C)=O)c1 223903557 GUIXSWRYQVJTJX-UHFFFAOYSA-N 402.516 3.205 0 40 HGAB Cn1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c1 223954065 KLHXSDOBWRELEC-FCHUYYIVSA-N 419.554 3.434 0 40 HGAB Cc1ccc(OCCNC(=O)[C@H](C)N(c2cc(C)ccc2C)S(C)(=O)=O)c(C)c1 224042548 SINVGEGLFVTQEF-IBGZPJMESA-N 418.559 3.270 0 40 HGAB CCCCOC(=O)c1ccc(NC(=O)[C@H](c2ccccc2)N(C)S(C)(=O)=O)cc1 225220278 QYDQLWSTSVOYFS-IBGZPJMESA-N 418.515 3.215 0 40 HGAB CCc1ccc([C@H](C)NC(=O)[C@@H]2CN(S(=O)(=O)CC)c3ccccc3O2)cc1 225251562 HBCPWIUOCMADQU-YWZLYKJASA-N 402.516 3.044 0 40 HGAB COC[C@H]1CCCN1Cc1nc(C2(O)CCN(Cc3ccccc3)CC2)cs1 225465927 BLGJCTWHJGNCNI-LJQANCHMSA-N 401.576 3.238 0 40 HGAB biogenic,in-vitro O=C(c1ccc(O[C@H]2CCOC2)nc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 225709591 MLSXUZRMCYIWDD-SFHVURJKSA-N 421.419 3.231 0 40 HGAB COC(=O)[C@H]1CN(C(=O)c2ccccc2Nc2nc(C)cc(C)n2)c2ccccc2O1 225916255 XNYUBNFNSAOOQV-HXUWFJFHSA-N 418.453 3.418 0 40 HGAB CCOC(=O)c1cc(C(=O)C(C)(C)C)nn(-c2cccc(Br)c2)c1=O 225969065 AIVBLXJAHURUMY-UHFFFAOYSA-N 407.264 3.401 0 40 HGAB O=C([C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)N1CCOc2ccccc21 226077731 DBLJKRJOVVUJNK-HNNXBMFYSA-N 420.918 3.166 0 40 HGAB O=C(c1ccc(-n2cccc2)cc1)N1CCC(n2c(O)nc3ccccc3c2=O)CC1 238882455 PMONEZGROVISIQ-UHFFFAOYSA-N 414.465 3.370 0 40 HGAB COc1ccc(Br)c(C(=O)NC[C@H](O)c2ccc3c(ccn3C)c2)c1 244969037 GVFWSGYYIRAHLT-SFHVURJKSA-N 403.276 3.413 0 40 HGAB COc1cccc(Nc2cc(C)nc([C@H]3CCCN(CC(=O)N4CCCC4=O)C3)c2)c1 257305683 SRAKYJMOUAZRQF-SFHVURJKSA-N 422.529 3.471 0 40 HGAB COC(=O)CSc1nnc(NC(=O)c2ccc(CN3CCC[C@H](C)C3)cc2)s1 260813220 QYVSQYKYUGOYIW-ZDUSSCGKSA-N 420.560 3.287 0 40 HGAB COc1ccc(C(C)C)cc1CN1CCO[C@]2(CCCC[C@H]2NCC(=O)N(C)C)C1 306126998 FLGPNJHDHGKYNY-ISKFKSNPSA-N 417.594 3.010 0 40 HGAB CCC[C@@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(OCC)c(Cl)c2)C1 408617393 CUCKPOGMAGXJDZ-CABCVRRESA-N 416.971 3.444 0 40 HGAB CCCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(OCC)c(Cl)c2)C1 408627253 YVHUWFDIKLQETO-CQSZACIVSA-N 402.944 3.056 0 40 HGAB Cc1ccc([C@@H]2[C@@H](NC(=O)c3ccc(F)cc3)C(=O)N/[N+]2=C\c2ccccc2C)cc1 409061575 FXJSUONEGDLKHO-VNGKGULCSA-O 416.476 3.459 0 40 HGAB CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)N2C(=O)CSC2=N1 409137217 UUJLMXAURDSJPP-SFHVURJKSA-N 404.488 3.307 0 40 HGAB O=C(CN1C(=O)S/C(=C\c2ccc3c(c2)OCO3)C1=O)N1CCc2ccccc2C1 409201491 NSDFIPKFUKWBHH-GRSHGNNSSA-N 422.462 3.037 0 40 HGAB Cn1cc(CC(=O)N2CCC[C@H](n3cnc4ccccc4c3=O)C2)c2ccccc21 575616975 LWHRTYLKPWQVKP-SFHVURJKSA-N 400.482 3.294 0 40 HGAB CC(=O)N1CCN(C2CCN(C(C)C)CC2)C[C@H](Cc2cnc3ccccc3c2)C1 1615153714 ARPYEOULLMYQAB-JOCHJYFZSA-N 408.590 3.430 0 40 HGAB CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3OC)=C(C)Nc3nnnn32)cc1 814801 ZSQZGTYAAGYGMI-IBGZPJMESA-N 406.446 3.008 0 40 HGAB Cn1c(=O)c2c(nc(Oc3ccc(Cl)cc3)n2CCc2ccccc2)n(C)c1=O 1080541 DEGMZQCUPJUNQF-UHFFFAOYSA-N 410.861 3.122 0 40 HGAB COc1ccc(C(=O)Nc2nnc(CCS(=O)(=O)c3ccc(C)cc3)s2)cc1 1340259 OQOQVYSKWZXMME-UHFFFAOYSA-N 417.512 3.124 0 40 HGAB O=C(NCc1ccc2c(c1)OCO2)[C@H]1CCCN1C(=O)Nc1cccc(Cl)c1 1379827 SIGDTHWTCCWINU-MRXNPFEDSA-N 401.850 3.381 0 40 HGAB CCCCCOC(=O)[C@H]1[C@H]2C=C[C@]3(CN(c4ccccc4Br)C(=O)[C@H]13)O2 2259888 CKCXYQYBGQLBIQ-NHAYFPRASA-N 420.303 3.469 0 40 HGAB COc1ccc(-n2c(SCC(=O)N3CCCC3=O)nnc2-c2ccccc2)cc1 3399870 OKMKTBSRFBZTRQ-UHFFFAOYSA-N 408.483 3.184 0 40 HGAB COc1ccc(C(=O)NCc2ccc(Cl)cc2)cc1S(=O)(=O)N1CCCC1 3598344 VLQIXVUJCLVPFI-UHFFFAOYSA-N 408.907 3.063 0 40 HGAB O=S(=O)(Nc1ccc(-c2cn3c(n2)SCC3)cc1)c1ccc2c(c1)OCCO2 4249140 MMYGBLAQAYRYBZ-UHFFFAOYSA-N 415.496 3.228 0 40 HGAB O=C(c1n[nH]nc1Cl)N1N=C(c2ccc3ccccc3c2)C[C@]1(O)C(F)(F)F 4440743 MSHQMQSVBTVQHZ-INIZCTEOSA-N 409.755 3.112 0 40 HGAB CSCC[C@@H](NC(=O)C1CCC(C)CC1)C(=O)Nc1ccc2c(c1)OCCO2 4597988 LVUPFFTYSLXMFA-VMBOVVBDSA-N 406.548 3.461 0 40 HGAB COc1cccc(-n2nnc3c(=O)n(Cc4ccc(C(F)(F)F)cc4)cnc32)c1 5033184 SZWISGQOJZOAEA-UHFFFAOYSA-N 401.348 3.053 0 40 HGAB O=C(N[C@]1(C(F)(F)F)N=C(O)N(C2CCCCCC2)C1=O)c1ccc(F)cc1 5149607 QQJBMPZTIIPXHE-KRWDZBQOSA-N 401.360 3.293 0 40 HGAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)COC(=O)c1ccc2ccccc2c1O 5169973 BXVAKTSOXPKJHU-CQSZACIVSA-N 404.422 3.466 0 40 HGAB COc1ccc(CCN(Cc2nc3ccccc3c(=O)[nH]2)C(=O)C(C)C)cc1OC 5624991 MOBYPXLMFBTVFN-UHFFFAOYSA-N 409.486 3.168 0 40 HGAB O=C(COc1cc(Cl)ccc1Cl)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 6842720 HWMUCAFECMGCRZ-CQSZACIVSA-N 406.331 3.331 0 40 HGAB C[C@]1(c2ccc3c(c2)OCCO3)NC(=O)N(Cc2coc(-c3cccs3)n2)C1=O 7777909 RKIRSMKQLLJPKI-HXUWFJFHSA-N 411.439 3.142 0 40 HGAB CCS(=O)(=O)c1ccccc1C(=O)O[C@@H](C)C(=O)c1[nH]c(C)c(C(C)=O)c1C 7853979 IQIGBGUIJXSZKI-AWEZNQCLSA-N 405.472 3.056 0 40 HGAB O=C(CSc1ccc2c(c1)OCCO2)Nc1cc(Cl)ccc1-n1cncn1 8328709 JJBZKWVMYMXNDW-UHFFFAOYSA-N 402.863 3.423 0 40 HGAB CC(=O)Nc1ccc(NC(=O)CCC(=O)OCC(=O)Nc2c(C)cccc2C)cc1 8415102 QAWRZGPSDOISSV-UHFFFAOYSA-N 411.458 3.162 0 40 HGAB CCCCC(=O)NCCn1ncc2c(=O)n(Cc3cccc4ccccc34)cnc21 9016485 AMGYZVWWJWNUAC-UHFFFAOYSA-N 403.486 3.101 0 40 HGAB Cc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1NC(=O)c1cnccn1 9155800 WELQQZRDUHCNMJ-UHFFFAOYSA-N 402.863 3.492 0 40 HGAB CS(=O)(=O)N(CCc1ccccc1)CC(=O)NC(c1ccccc1)c1ccccc1 9227404 BWIKUERPSQXQGC-UHFFFAOYSA-N 422.550 3.397 0 40 HGAB CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]2[C@H]2C=CC=NN12 9460730 QVIFGLBBOHODFV-FPCVCCKLSA-N 419.403 3.035 0 40 HGAB COc1ccc(/C=C/C(=O)N[C@H](C)C(=O)N2CCc3[nH]c4ccccc4c3C2)cc1 9901126 RTSDBGRJGKSFPN-ONOODXEBSA-N 403.482 3.279 0 40 HGAB COc1ccc(OC)c([C@H]2CCCN2CC(=O)N2CCN(c3cccc(C)c3)CC2)c1 10055978 ISNTYDQFILSAGH-HSZRJFAPSA-N 423.557 3.498 0 40 HGAB CCCNS(=O)(=O)c1cccc(C(=O)NCc2coc(-c3cccs3)n2)c1 10882746 ANEPGGFPQFCPGB-UHFFFAOYSA-N 405.501 3.021 0 40 HGAB COc1cc2cc(N)c(C3CCN(C(=O)[C@H](C)N4CCCC4)CC3)nc2cc1OC 12087969 VNZKSPBJWGDRHT-HNNXBMFYSA-N 412.534 3.025 0 40 HGAB CCOc1ncc(Cl)cc1C(=O)N1CCC(O)(Cn2ccc3ccncc32)CC1 12222180 YQLPVOVATGXKJN-UHFFFAOYSA-N 414.893 3.151 0 40 HGAB COc1ccc(CC(=O)N2CCC[C@@H](c3nc(O)cc(-c4ccncc4)n3)C2)cc1 12256905 HOHUESIWIWGNGK-GOSISDBHSA-N 404.470 3.202 0 40 HGAB CCCCNc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)[C@@H]1CC=CCC1 12522876 LXKADXAZAVYPQP-QGZVFWFLSA-N 421.563 3.214 0 40 HGAB COc1ccc(CN2CCN(C(=O)c3cccc(Nc4ncccn4)c3)CC2)cc1 12538033 GUQJODVDTFAHCC-UHFFFAOYSA-N 403.486 3.187 0 40 HGAB COc1ccc([C@H](NC(=O)CCCn2c(=O)oc3ccccc32)c2nccn2C)cc1 12550041 OOGRLZZEHZJGGS-NRFANRHFSA-N 420.469 3.023 0 40 HGAB CCC(=O)N(c1nnc(SCC(=O)c2ccc(CNC(C)=O)s2)s1)C1CC1 12569064 ITKHZZJLAIVMAS-UHFFFAOYSA-N 424.573 3.116 0 40 HGAB Cc1ccc(CN(C)C(=O)/C=C/c2ccc(S(=O)(=O)NCc3ccco3)cc2)o1 12856988 LEIBSFNCJCCMGI-XYOKQWHBSA-N 414.483 3.331 0 40 HGAB O=C(Nc1ccc(F)cc1F)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 12905995 ANQNOANKYIZBNM-UHFFFAOYSA-N 420.481 3.493 0 40 HGAB CCCCn1c(N)c(N(CCC(C)C)C(=O)c2cccc(Cl)c2)c(=O)[nH]c1=O 13041218 LHTFYMAGNPCPAE-UHFFFAOYSA-N 406.914 3.265 0 40 HGAB COc1ccc(OC)c(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)C(C)(C)C)CC3)c1 13696469 BWUHQYIFKBERDK-UHFFFAOYSA-N 418.515 3.440 0 40 HGAB Cc1cc2oc(=O)cc(COC(=O)C[C@H](NC(N)=O)c3cccs3)c2cc1C 14409315 OBACETCLBUJKFS-HNNXBMFYSA-N 400.456 3.314 0 40 HGAB C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)N(C)Cc1cccc(Cl)c1Cl 14928314 QMNOFFNMZRAZKY-LLVKDONJSA-N 416.330 3.100 0 40 HGAB COc1ccc(NC(=O)N2Cc3nc[nH]c3C[C@H]2c2nc(-c3ccncc3)no2)cc1 15675910 JRWILRYJRXYENW-SFHVURJKSA-N 417.429 3.195 0 40 HGAB biogenic,in-vitro COC[C@@H]1OC[C@@]2(C)[C@H]3CC[C@@H](O)[C@@H](CC(=O)N4CCC(C)CC4)[C@]3(C)CC[C@H]2O1 15709444 AVRMOARZFACRAL-PLOVCHRTSA-N 423.594 3.216 0 40 HGAB biogenic,in-vitro CCc1nnc2sc(-c3ccc(NC(=S)NC(=O)c4ccco4)c(C)c3)nn12 17089184 WVOYUPOATKPAQQ-UHFFFAOYSA-N 412.500 3.443 0 40 HGAB CN(Cc1ccco1)C(=O)COc1ccc(N(C)S(=O)(=O)c2cccs2)cc1 17790645 NKOOJOHUNWBWPV-UHFFFAOYSA-N 420.512 3.204 0 40 HGAB Cc1ccccc1-n1nc(C)c(CC(=O)N2CCCC[C@H]2CN2CCOCC2)c1C 19237569 FLOFVVKZYAKTOS-NRFANRHFSA-N 410.562 3.053 0 40 HGAB CC(C)Nc1ncc(-c2ccccn2)c(C2CCN(C(=O)c3ccnn3C)CC2)n1 19450309 OBTYSGMCGLCSGM-UHFFFAOYSA-N 405.506 3.112 0 40 HGAB CCOc1cc2c(cc1CN1CCC([C@H](NC(C)=O)c3ccccn3)CC1)OCO2 19532463 FIJTWNJYYUADIV-QHCPKHFHSA-N 411.502 3.298 0 40 HGAB Cc1ccc(C(=O)Nc2nnc(CCc3ccccc3)s2)cc1-n1nnnc1C 19658175 QHLPPGSPEOFAFA-UHFFFAOYSA-N 405.487 3.168 0 40 HGAB COc1ccc(NS(=O)(=O)c2ccc(OC)c(N3CCCC3=O)c2)cc1Cl 19934594 QKPZKLXKUFKMOJ-UHFFFAOYSA-N 410.879 3.285 0 40 HGAB Cc1ccc(CNC(=O)COc2ccc(Cl)cc2S(=O)(=O)N2CCCC2)cc1 19935206 QZFLVOZODZOTAV-UHFFFAOYSA-N 422.934 3.128 0 40 HGAB COC(=O)[C@H](CC(C)C)NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc(Cl)cc1 20723464 KRDDYXMIHOBXHX-WMZOPIPTSA-N 404.898 3.308 0 40 HGAB CCOc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(Cl)cc3)CC2=O)cc1 21094692 PLQKQJDWVREFLX-AWEZNQCLSA-N 416.861 3.274 0 40 HGAB CN(C)[C@H](CNC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12)c1cccs1 21762973 CMPRPOCHPKRHFF-LJQANCHMSA-N 418.522 3.480 0 40 HGAB CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)N1CCN(C/C=C/c2ccccc2)CC1 21835483 ODCDYNQZNRMINK-JYLQPTBZSA-N 405.542 3.299 0 40 HGAB CC[C@H]1CN(Cn2nc(-c3ccc(F)cc3)n(C[C@@H]3CCCO3)c2=S)CCO1 23042796 ZKZVUCVHOHJPBF-ROUUACIJSA-N 406.527 3.467 0 40 HGAB CCOC(=O)c1c(-c2ccc(C)o2)csc1NC(=O)CN(CCOC)CCOC 23329971 BJGWAGYYOAWZND-UHFFFAOYSA-N 424.519 3.027 0 40 HGAB CC[C@H]1CCc2sc(-c3nn(CN4CCC(C(N)=O)CC4)c(=S)n3C)cc2C1 26552078 CJORCBGUCNSVPA-ZDUSSCGKSA-N 419.620 3.349 0 40 HGAB CCOc1ccc(NC(=O)CCN2C(=O)c3ccccc3N3C(=O)CC[C@@]23C)cc1 29736825 AILCPTVRAAIGCR-QHCPKHFHSA-N 407.470 3.413 0 40 HGAB O=C(c1ccccc1C(F)(F)F)N1CCN(Cc2ccc3c(c2)OCCO3)CC1 32237680 DEXJDUJVHXVPFU-UHFFFAOYSA-N 406.404 3.435 0 40 HGAB O=C(NC1CCN(C(=O)c2cc(-c3ccc(F)cc3)n[nH]2)CC1)c1ccccc1F 32711098 FQWKXWLDWVRLEF-UHFFFAOYSA-N 410.424 3.390 0 40 HGAB O=C(CN1C(=O)S/C(=C\c2ccc(N3CCCCC3)o2)C1=O)N1CCCCC1 33390377 WVIVHJLTFLFRKO-SSZFMOIBSA-N 403.504 3.319 0 40 HGAB O=C(NCCCN1CCOCC1)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 33401949 SNVOBTFBPRGCRB-UHFFFAOYSA-N 408.477 3.131 0 40 HGAB CCOc1ccc(CNC(=O)c2ccc(CS(=O)(=O)N3CCCCC3)cc2)cc1 38756372 KFQMNAZEQNSNSP-UHFFFAOYSA-N 416.543 3.331 0 40 HGAB COc1cccc([C@@H](CNC(=O)C2CCN(C(=O)c3ccsc3)CC2)N(C)C)c1 40062714 LYEZSZXQFGYAFU-HXUWFJFHSA-N 415.559 3.028 0 40 HGAB CSc1nc(C(=O)OCC(=O)Nc2ccc(OC(F)F)cc2)c2ccccn12 48325618 FYNUFLZPAQWCMO-UHFFFAOYSA-N 407.398 3.453 0 40 HGAB COc1ccc(CNC(=O)c2ccc(-n3c(C)nc4ccccc4c3=O)cc2)cn1 54729713 HONZOUPOEGVPRD-UHFFFAOYSA-N 400.438 3.028 0 40 HGAB CC(C)n1cccc1CN1CCC2(CC1)CN(C(=O)c1cccs1)NC(=O)O2 57773462 JUUCUMBZBFMXMP-UHFFFAOYSA-N 402.520 3.262 0 40 HGAB O=C(O)[C@@H]1CC12CCN(C(=O)C1(c3ccc(Br)cc3)CCOCC1)CC2 69893338 SWFSFKOXHRIQNI-INIZCTEOSA-N 422.319 3.211 0 40 HGAB C[C@@H](CN1CCCC1=O)NC(=O)c1ccccc1SCc1cn2ccccc2n1 70019345 WMBRWLJVNYODRN-INIZCTEOSA-N 408.527 3.367 0 40 HGAB Cc1cc2c(cc1CN1CCC[C@@H](c3cc(=O)[nH]c(-c4ccncc4)n3)C1)OCO2 72393005 XIYKCLIISBVPPN-QGZVFWFLSA-N 404.470 3.249 0 40 HGAB CCOc1ccc(-n2ccn(Cc3nc(-c4ccccc4)oc3C)c(=O)c2=O)cc1 73681508 AYSJBGUHTJAFMK-UHFFFAOYSA-N 403.438 3.410 0 40 HGAB CC(C)C(=O)Nc1nc(CC(=O)N2CCC[C@H]2Cn2cnc3ccccc32)cs1 89775733 HOQSNRYBTVHHGT-INIZCTEOSA-N 411.531 3.321 0 40 HGAB Cc1ccc(NC(=O)N[C@@H](Cc2ccccc2)C(=O)OC(C)(C)C)cc1-n1cnnn1 95446494 SZJFIYBQIJYIOM-SFHVURJKSA-N 422.489 3.045 0 40 HGAB COc1ccc(CN2CCN(C(=O)c3ccc4ccn(C)c4c3)CC2)c(OC)c1OC 95478742 ZIGYCJREPWBFCK-UHFFFAOYSA-N 423.513 3.162 0 40 HGAB O=C(O)CCCCCNC(=O)c1nnn(-c2ccc(Br)cc2)c1C1CC1 95970349 MSNIVGDJXZRZQT-UHFFFAOYSA-N 421.295 3.282 0 40 HGAB O=C(NCc1cccs1)[C@@H]1CN(C(=O)c2ccc(F)cc2)CC12CCOCC2 96078710 AMHDQXQQGSUDLX-SFHVURJKSA-N 402.491 3.072 0 40 HGAB CC(C)N1CCc2c(O)nc(C3CCN(C(=O)Cc4ccccc4F)CC3)nc2C1 96319706 FSALVZYVQCQNOG-UHFFFAOYSA-N 412.509 3.037 0 40 HGAB COc1ccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H]5ON=C(c6ccc(C)cc6)[C@H]45)[C@H]3C2=O)cc1 100204528 QUTVFXKBAUWMRT-VKTDOMNUSA-N 402.450 3.178 0 40 HGAB CCc1ccc(NC(=O)CN2N=N[C@@H]3C(=O)N(c4ccc(C(C)C)cc4)C(=O)[C@H]32)cc1 101168475 SPUZIUGGDXHMRU-SFTDATJTSA-N 419.485 3.304 0 40 HGAB O=C(c1ccc2nsnc2c1)N1[C@@H]2CC[C@@H]1CC(S(=O)(=O)c1ccccc1)C2 101323086 VRTMVKRBNOOQDU-HUUCEWRRSA-N 413.524 3.301 0 40 HGAB C[C@@H](OC(=O)CC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)C(=O)Nc1ccc2c(c1)OCO2 104808872 PUEKLQVBPITDDI-ZHPNZGNWSA-N 401.459 3.007 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(C)cc3)C2)cc1OC 107715424 VQPOQOGUDWIYMR-INIZCTEOSA-N 418.515 3.052 0 40 HGAB Cc1cc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@H]2C)n2nc(C(F)(F)F)nc2n1 108377200 NYKGSAIQBLRJDW-NEPJUHHUSA-N 414.432 3.286 0 40 HGAB CCc1ccc(N(CC(=O)OC)S(=O)(=O)c2ccc(Br)cc2)cc1 113884630 OZUJTCIAPHXHCF-UHFFFAOYSA-N 412.305 3.380 0 40 HGAB Cc1ccc(S(=O)(=O)N(C)CC(=O)NCCCc2ccc(OC(C)C)cc2)cc1 219011751 WRKLRNXXVWDBQS-UHFFFAOYSA-N 418.559 3.152 0 40 HGAB CCOc1ccc(CCCNC(=O)CCCN(C)S(=O)(=O)c2ccccc2)cc1 219726571 WPDLNZMVCKHOAO-UHFFFAOYSA-N 418.559 3.235 0 40 HGAB CC[C@H](C(=O)N[C@@H](C)c1ccc(OC)cc1)N(c1ccc(OC)cc1)S(C)(=O)=O 220657084 LHTRCZWDMZEGGQ-MGPUTAFESA-N 420.531 3.126 0 40 HGAB CCC(=O)N(Cc1ccc(OC)cc1)[C@H](Cc1ccccc1)C(=O)NCCCOC 223263026 NRTZZBVAVZBDPE-JOCHJYFZSA-N 412.530 3.198 0 40 HGAB Cc1cc(CNC(=O)C(c2ccccc2)c2ccccc2)nc(N2CCOCC2)n1 224227401 HSHGOPSBXZIVND-UHFFFAOYSA-N 402.498 3.070 0 40 HGAB COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)NC(C)(C)Cc1ccccc1 224866208 XSAXZTBHJIHOMS-UHFFFAOYSA-N 418.559 3.016 0 40 HGAB COc1ccccc1CCCNC(=S)Nc1cccc(N(C)S(C)(=O)=O)c1 225550413 WUBHMXBVYAMUIA-UHFFFAOYSA-N 407.561 3.010 0 40 HGAB O=C(Cc1cccc(Br)c1)NCc1ccc(CN2CCCC2=O)cc1 225621116 OGVJYLUJCLOIGO-UHFFFAOYSA-N 401.304 3.430 0 40 HGAB O=C(Cc1c(F)cccc1Cl)NC1CCN(c2ncnc3c2CCCC3)CC1 225737954 NLYCNCRLIZBSRC-UHFFFAOYSA-N 402.901 3.476 0 40 HGAB COc1cccc(-c2nnsc2C(=O)N2CCN(c3ccccc3OC)CC2)c1 225767511 XXTJLWATOPARNF-UHFFFAOYSA-N 410.499 3.185 0 40 HGAB COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)N[C@@H](C)c1ccc(C)cc1 225865374 MRLQCNCOVSCVOB-INIZCTEOSA-N 404.532 3.064 0 40 HGAB Cc1ccc(CN(C[C@H](O)COc2ccc(Cl)cc2)[C@H]2CCS(=O)(=O)C2)cc1 245228983 KOCORJAUWQZPKM-PMACEKPBSA-N 423.962 3.077 0 40 HGAB CCn1cc(C(=O)N2CC[C@H](Oc3ccccc3)[C@@H](CC(=O)N3CCCCC3)C2)cn1 257271480 MYMYEZOGTYXYAT-UGKGYDQZSA-N 424.545 3.215 0 40 HGAB CN(C)c1cccc(OCC(=O)N2CCC[C@@H]2c2ccnc(-c3ccccn3)n2)c1 257315072 UZUJHMHACISDBM-OAQYLSRUSA-N 403.486 3.347 0 40 HGAB COc1ccccc1[C@H](C)NC(=O)[C@H](C)N(c1cccc(Cl)c1)S(C)(=O)=O 260815420 XRVBNYXFDLMXSF-KBPBESRZSA-N 410.923 3.381 0 40 HGAB Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)NC[C@@H]3CCCO3)ccc2C)c1 408542931 BITYQDWOLJNBIE-IBGZPJMESA-N 402.516 3.321 0 40 HGAB COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC[C@@H](C(=O)NCc2ccco2)C1 408700987 PQDPEDIAHSNRQH-QGZVFWFLSA-N 420.531 3.129 0 40 HGAB O=C(NCCCCc1ccccc1)C(=O)Nc1ccccc1C(=O)NCc1ccco1 408709253 QVRJXDCKCOTXMN-UHFFFAOYSA-N 419.481 3.287 0 40 HGAB CCOc1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccccc3)[C@@H]2c2ccccc2)cc1 409061675 ZQUPPOGHRLIVBJ-BSOCVTHMSA-O 414.485 3.101 0 40 HGAB Nc1ncc2c(n1)CCN(C(=O)c1ccc(Oc3ccc(C(F)(F)F)cn3)cc1)C2 562597948 GQCUNHIEFYHVRX-UHFFFAOYSA-N 415.375 3.463 0 40 HGAB O=C(c1ccnc(F)c1)N1CC[C@@]2(CN(CC3CC3)C[C@@H]2COCc2cccnc2)C1 585103544 XRXRYEZBGXOSON-ZJSXRUAMSA-N 424.520 3.007 0 40 HGAB O=C(c1ccnc(F)c1)N1CCO[C@@H](c2ncn3cc(-c4ccncc4)ccc23)C1 585113159 QQMMOKDSVXSMAO-LJQANCHMSA-N 403.417 3.144 0 40 HGAB Cc1cc(C)nc(Nc2cccc([C@@H]3CCCN(C(=O)/C=C/c4ccnn4C)C3)n2)n1 585292745 SDVGTJGZFKSASW-QZEKMECESA-N 417.517 3.385 0 40 HGAB CCn1ccnc1CN1CCCN([C@H](C)C(=O)N2c3ccccc3CC[C@H]2C)CC1 592190254 WQXYGSZKUQDHSD-WOJBJXKFSA-N 409.578 3.167 0 40 HGAB O=C(c1cc2ccccc2[nH]1)N1CCCCc2ccccc2OC[C@@H](O)[C@@H](O)CC1 643574951 DAJMYFZYPIKAEM-FCHUYYIVSA-N 408.498 3.137 0 40 HGAB N=C1Nc2nc3cc4c(cc3n2[C@H](c2c[nH]nc2-c2ccc(F)cc2)N1)OCCCO4 643904220 BAMNMWDJNPUGQJ-LJQANCHMSA-N 419.420 3.224 0 40 HGAB O=C(CCn1ccc2ccccc21)N1CCN(C[C@@H]2CCCN3CCCC[C@@H]23)CC1 1083103392 UFFCBOKRQSOOSD-UPVQGACJSA-N 408.590 3.440 0 40 HGAB C[C@H]1CN(c2cc(Sc3ccccn3)nc(N3C[C@H](C)O[C@H](C)C3)n2)C[C@@H](C)O1 1615627236 BCUZPTRGPIVWJC-WNKDZCFJSA-N 415.563 3.250 0 40 HGAB COc1ccc2c(=O)n(CC3CCN(C(=O)C4CCC(F)(F)CC4)CC3)cnc2c1 1848589509 INISZXKRHPSEAO-UHFFFAOYSA-N 419.472 3.469 0 40 HGAB CC(=O)Oc1c(Br)cc(Br)cc1C(OC(C)=O)OC(C)=O 1577037 KTDIRZLKEJFPFP-UHFFFAOYSA-N 424.041 3.262 0 40 HGAB CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccncc2)n2nc(CCCO)nc2N1 1890423 OHSSPLAPRVSPOP-IBGZPJMESA-N 424.892 3.179 0 40 HGAB O=C1OCC[C@H]1Sc1nc2ccccc2c(=O)n1-c1ccc(OC(F)F)cc1 3352267 YEZVJVLCIQSGPF-OAHLLOKOSA-N 404.394 3.395 0 40 HGAB Cc1nn(Cc2ccccc2)c(C)c1C(=O)OCC(=O)N1CCc2ccccc2C1 3499856 PMUWIGYBDBFQAM-UHFFFAOYSA-N 403.482 3.290 0 40 HGAB CN(CC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)Cc1ccc(Cl)cc1 3585434 YNXANSOTKBVGHR-UHFFFAOYSA-N 421.950 3.195 0 40 HGAB CCN1C(=O)c2cccc3c(S(=O)(=O)NC4CC(C)(C)NC(C)(C)C4)ccc1c23 4162668 YTXYVLZKEYNQJW-UHFFFAOYSA-N 415.559 3.407 0 40 HGAB COc1ccc(S(=O)(=O)NCCc2csc(-c3ccccc3)n2)cc1OC 4166873 LAMPBDMYTBDHHD-UHFFFAOYSA-N 404.513 3.348 0 40 HGAB Cc1ccc(C(=O)COC(=O)[C@@H](C(C)C)N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@@H]3C2=O)cc1C 4181987 FGLSBANXJAAJQN-YZUZWNONSA-N 411.498 3.085 0 40 HGAB COc1ccc(N2C[C@@H](NC(=O)Cc3cccc4ccccc34)CC2=O)cc1OC 4497686 UUTQWOJEWSJWCD-SFHVURJKSA-N 404.466 3.321 0 40 HGAB COc1cc([C@H]2CC(=O)N(c3cccc(Cl)c3)C3=C2C(=O)OC3)cc(OC)c1O 4519956 YBMIAHBJLPNJCB-CQSZACIVSA-N 415.829 3.394 0 40 HGAB O=C(OCc1ccc(Cl)cc1)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 4950636 DUFOSTAUSYPGJU-UHFFFAOYSA-N 418.902 3.244 0 40 HGAB Cc1ccccc1Nc1nc(N)nc(COC(=O)CCC(=O)c2ccc(F)cc2)n1 5405220 BLPAGGXRUYRJKJ-UHFFFAOYSA-N 409.421 3.351 0 40 HGAB C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)NC3CCCCCCC3)c2)C[C@@H](C)O1 6113704 HCLPZACDEOLGSK-IAGOWNOFSA-N 408.564 3.327 0 40 HGAB COc1ccc(NC(=O)Cc2c(C)c3ccc(OC)c(OC)c3oc2=O)c(OC)c1 6660903 IOVMKRPHHTVTAY-UHFFFAOYSA-N 413.426 3.317 0 40 HGAB c1ccc(N2CCN(c3nc4ccccc4c4nc(-c5cccnc5)nn34)CC2)nc1 6805431 BSHDQRCONRBBAP-UHFFFAOYSA-N 408.469 3.061 0 40 HGAB Cc1nn(C)c(C)c1NC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 6849321 JWOHAJILFNAFDU-UHFFFAOYSA-N 410.499 3.041 0 40 HGAB CCn1c(CCC(=O)Nc2ccc(C)cc2)nc2cc(S(=O)(=O)N(C)C)ccc21 6908083 ZVDFYZIJEAPRSF-UHFFFAOYSA-N 414.531 3.186 0 40 HGAB O=C(COC(=O)[C@@H]1CC(=O)N(C2CCCCC2)C1)Nc1ccccc1C(F)(F)F 7940220 CXYUDVSHZMSFNP-CYBMUJFWSA-N 412.408 3.368 0 40 HGAB CCOC(=O)c1sc2nc(CSCCC(=O)NC3CCCC3)[nH]c(=O)c2c1C 7942275 IPOLJUBRWBHYPZ-UHFFFAOYSA-N 423.560 3.152 0 40 HGAB Cc1noc(C)c1COc1ccc(CC(=O)Nc2ccc(-n3cnnn3)cc2)cc1 8076270 NHPNWULGGGLJLJ-UHFFFAOYSA-N 404.430 3.027 0 40 HGAB CC[C@@H](C)N1C(=O)[C@@]2(Cc3c(Cl)cccc3N3CCCC[C@@H]32)C(=O)NC1=S 8741120 STQPTDBQPUDKPZ-CBLJQSSYSA-N 405.951 3.283 0 40 HGAB COc1ccc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2ccccc2F)c(OC)c1 8767280 JWSVCTWQJWRUAN-GOSISDBHSA-N 401.463 3.274 0 40 HGAB CC(=O)Nc1ccccc1NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 9095288 XFTSIXWCPCBNRD-GOSISDBHSA-N 421.906 3.090 0 40 HGAB Cc1cccc(Cn2c(=O)c3c(nc4n3CCN4c3cccc(Cl)c3)n(C)c2=O)c1 9124284 NLOVZRQTNATBKX-UHFFFAOYSA-N 421.888 3.059 0 40 HGAB CCOc1ccc([C@@H]2Nn3c(C)nnc3S[C@H]2C(=O)NCc2ccccc2)cc1 9239010 LRDWCRGANODPNO-RBUKOAKNSA-N 409.515 3.061 0 40 HGAB CC(=O)Nc1ccc(NC(=O)CSc2nc3cc(Br)cnc3[nH]2)cc1 9308562 JJDRBRFDZOSBRV-UHFFFAOYSA-N 420.292 3.410 0 40 HGAB COc1ccc(C(C)=O)cc1CN1C(=O)N[C@](C)(c2ccc3c(c2)OCCCO3)C1=O 9870959 VXTMKRBITPNQGZ-HSZRJFAPSA-N 424.453 3.026 0 40 HGAB COc1cc(OC)cc(C(=O)N(C)CC(=O)Nc2ccccc2Br)c1 9910684 QSOOGNINIICLNA-UHFFFAOYSA-N 407.264 3.177 0 40 HGAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccccc3C(N)=O)c2C)cc1 10333373 KGFYYJKYQMMLJN-UHFFFAOYSA-N 423.494 3.455 0 40 HGAB CSCC[C@H](NS(=O)(=O)c1ccc(Br)c2ccccc12)C(=O)O 11635073 NKDDXNNITUYCGY-ZDUSSCGKSA-N 418.334 3.087 0 40 HGAB CC[C@@H](C)[C@H](NC(=O)[C@@H](C)Oc1ccc2c3c(c(=O)oc2c1C)CCCC3)C(=O)O 11866833 RTFQGEOOLBPWHU-TVZGQMOCSA-N 415.486 3.363 0 40 HGAB O=C(Cn1c([C@@H]2CC(=O)N(Cc3ccc(F)cc3)C2)nc2ccccc21)N1CCCC1 12062198 BJPISFQJFACKHF-GOSISDBHSA-N 420.488 3.314 0 40 HGAB CCOc1ccc(S(=O)(=O)N2c3ccccc3[C@H](C(N)=O)C[C@@H]2C)cc1OCC 12771993 CLYNNKKNOLXJBT-WMLDXEAASA-N 418.515 3.040 0 40 HGAB COC(=O)C1=C(CN2CCc3ccccc3C2)N(C2CC2)C(=O)N[C@H]1c1ccccc1 12805989 IEXMACKVAJUIBT-QHCPKHFHSA-N 417.509 3.401 0 40 HGAB CCC(=O)c1ccc(OCC(=O)N2CCN(Cc3ccc(OC)c(F)c3)CC2)cc1 12846877 MHNCLDXQDHETQG-UHFFFAOYSA-N 414.477 3.150 0 40 HGAB Cc1ccc(-c2noc(CNS(=O)(=O)c3ccc(Br)cc3)n2)cc1 13495244 NANXIIDZKLUFLP-UHFFFAOYSA-N 408.277 3.286 0 40 HGAB COc1ccc([C@@H]2NC(=S)N[C@](O)(C(F)(F)F)[C@@H]2C(=O)c2cccs2)cc1 13545811 GSFXSFLLWNKGBG-HEHGZKQESA-N 416.446 3.026 0 40 HGAB CCc1nnc(SCC(=O)Nc2ccc(N3CCOCC3)cc2)n1-c1ccccc1 13945015 JUILAPGGHBQOTH-UHFFFAOYSA-N 423.542 3.397 0 40 HGAB CCN(CC)C(=O)CN1CCN(c2nc(-c3cccs3)nc3ccccc23)CC1 14138669 ADZHVUDWEXSOEA-UHFFFAOYSA-N 409.559 3.349 0 40 HGAB CCN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 15083563 YMQODOBTBXGCMV-UHFFFAOYSA-N 416.543 3.145 0 40 HGAB CCn1c(=O)c2ccccc2n(CC(=O)N(C)Cc2ccc(Cl)cc2Cl)c1=O 15763574 GUKZLCGDORQFFW-UHFFFAOYSA-N 420.296 3.149 0 40 HGAB CC(=O)Nc1ccc(NC(=O)CCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 17302757 PVQUDAMZUIFXCY-UHFFFAOYSA-N 415.515 3.001 0 40 HGAB OC1(c2ccccc2F)CCN(Cc2ccccc2OCCN2CCOCC2)CC1 19348857 IEJIRAABOITABH-UHFFFAOYSA-N 414.521 3.020 0 40 HGAB Cn1cc(C(=O)N2CCN(c3nc4ccccc4s3)CC2)c2ccccc2c1=O 19663637 IPUJNJBBYLNPPN-UHFFFAOYSA-N 404.495 3.111 0 40 HGAB COc1cccc(OC)c1C(=O)N1CC[C@H](c2ccc3c(NC(C)C)n[nH]c3n2)C1 19705029 NSZCAMDPRFMJJQ-AWEZNQCLSA-N 409.490 3.425 0 40 HGAB COc1ccc2c(CC(=O)NC[C@@H](c3cccs3)N3CCOCC3)coc2c1 22760215 VLGGPPDUUZWGOO-SFHVURJKSA-N 400.500 3.235 0 40 HGAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN1CCN(Cc2cccs2)CC1 22788313 HIUWJOSYXANBSN-UHFFFAOYSA-N 409.559 3.307 0 40 HGAB CCN1CCN(C(=O)[C@@H](C)Sc2nnc(-c3ccco3)n2-c2ccccc2)CC1 23243486 WBOMYBATRSRSSP-MRXNPFEDSA-N 411.531 3.172 0 40 HGAB COc1cccc(NC(=O)C[C@@H]2C(=O)N(C[C@H]3CCCO3)c3nc4ccccc4n32)c1 23382147 OUCCBZZXZNBTKX-YLJYHZDGSA-N 420.469 3.140 0 40 HGAB Cc1ccc(Cl)cc1N1CCN(CN2C(=O)NC3(CCCCCC3)C2=O)CC1 23383531 BGUMECYVLNPNOR-UHFFFAOYSA-N 404.942 3.373 0 40 HGAB O=C(c1cncn1-c1ccccc1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 23873179 RTGNRNVOYNJRHO-UHFFFAOYSA-N 401.392 3.249 0 40 HGAB CCOc1ccc2nc(NC(=O)c3cnn(-c4ccc(OC)nn4)c3CC)sc2c1 24667547 YSZURBQSZVNRFK-UHFFFAOYSA-N 424.486 3.494 0 40 HGAB COc1ccc(NC(=O)COc2ccccc2C(C)(C)C)cc1NS(C)(=O)=O 25599646 XMXAFAZCVZHTMR-UHFFFAOYSA-N 406.504 3.382 0 40 HGAB CC(C)[C@@H](NC(=O)c1cccs1)C(=O)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 27031580 MFMXUTPAVFYSCV-VQIMIIECSA-N 413.543 3.380 0 40 HGAB CCn1c(=O)n(CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)c2ccccc21 27154056 DMBGBTJNUIEDMI-GOSISDBHSA-N 421.497 3.348 0 40 HGAB CC(=O)N1c2ccc(S(=O)(=O)Nc3ccc4c(c3)OC(F)(F)O4)cc2C[C@H]1C 28680677 MJGHHFSLGBYVRB-SNVBAGLBSA-N 410.398 3.106 0 40 HGAB COC(=O)c1cnc(NC(=O)C2(S(=O)(=O)c3cc(C)ccc3C)CCCC2)s1 29056440 IGYLKIXXEXDONC-UHFFFAOYSA-N 422.528 3.272 0 40 HGAB CC(C)CCN1C(=O)/C(=C/N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)SC1=S 30819363 AMXRKWNJBSHPDX-URQAUJNWSA-N 403.573 3.015 0 40 HGAB O=C(OCc1nc2sc3c(c2c(=O)[nH]1)CCC3)c1cc(Cl)c2c(c1)OCCO2 32745425 OOLDIUUHPPLVPO-UHFFFAOYSA-N 418.858 3.255 0 40 HGAB O=C(Nc1cccc(OC(F)(F)F)c1)[C@@H]1CCCN1S(=O)(=O)c1ccccc1 32796028 SIZLUSLICVMEPE-INIZCTEOSA-N 414.405 3.377 0 40 HGAB Cc1ccc(NC(=O)[C@H](C)S(=O)(=O)Cc2cccc(Br)c2)c(O)c1 32925268 HDVKHWOMUZLSDV-LBPRGKRZSA-N 412.305 3.405 0 40 HGAB O=C(O)c1ccc(-c2c([N+](=O)[O-])cc3c4c(cccc24)C(=O)N(CCCO)C3=O)cc1 34882893 HLAYTHYYVKBCGK-UHFFFAOYSA-N 420.377 3.092 0 40 HGAB O=C(NCCn1ncc2c(N3CCCC3)ncnc21)C1(c2cccs2)CCCC1 35590530 HUBWZCSFLRYQAS-UHFFFAOYSA-N 410.547 3.116 0 40 HGAB O=C(CCSc1ccccc1Br)NCCc1nnc2ccccn12 40106543 XUKUHRMBGGDUDG-UHFFFAOYSA-N 405.321 3.333 0 40 HGAB O=C(NCCc1ccccc1F)C1CCN(Cc2nc(Cc3ccccc3)no2)CC1 40120655 VPJWHQFMVZDSBR-UHFFFAOYSA-N 422.504 3.370 0 40 HGAB Cc1sc(=O)n(CC(=O)Nc2ccc(C(N)=O)c(Cl)c2)c1-c1ccc(F)cc1 40133412 RUBCONWWFCAKHC-UHFFFAOYSA-N 419.865 3.415 0 40 HGAB CC1(C)Cc2cccc(OCC(=O)Nc3cccc(OCCn4cncn4)c3)c2O1 40139039 FCKBXCWDXDJCJS-UHFFFAOYSA-N 408.458 3.088 0 40 HGAB O=C(NCCc1c[nH]c2ccccc12)C(=O)Nc1ccc(Br)cc1F 42645890 FOFWPQOCXXACGE-UHFFFAOYSA-N 404.239 3.367 0 40 HGAB COc1ccc([C@@H](C)NC(=O)c2cc(NS(C)(=O)=O)ccc2Cl)cc1OC 44884664 KDGHCLWEZBLJCM-LLVKDONJSA-N 412.895 3.220 0 40 HGAB CCOc1ccc(NC(=O)C(=O)NCC(=O)Nc2cc(Cl)ccc2Cl)cc1 47080994 URPYLCLWHOQZCP-UHFFFAOYSA-N 410.257 3.086 0 40 HGAB Cc1nccn1-c1ccc(NC(=O)c2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)cn1 47275915 RIWOITLIMHWWBS-IRXDYDNUSA-N 405.502 3.437 0 40 HGAB COc1ccc(NC(=O)COc2cc(C)nc(N3CCc4ccccc4C3)n2)cc1 48986145 QGVJQCXJWTVLQO-UHFFFAOYSA-N 404.470 3.374 0 40 HGAB CCN(C[C@H]1COc2ccccc2O1)C(=O)NCc1ccccc1OCCOC 50127666 WFFNYGSVSIHIAJ-SFHVURJKSA-N 400.475 3.083 0 40 HGAB COc1ccccc1C1(O)CCN(CC(=O)c2ccc3c(c2)CCCN3C(C)=O)CC1 57822670 IKIQYZXVBKAVIV-UHFFFAOYSA-N 422.525 3.161 0 40 HGAB CCN(CC(=O)Nc1ccccc1OC)C(=O)c1cccn(Cc2ccccc2)c1=O 58172377 XFYBTMPEWYVSAX-UHFFFAOYSA-N 419.481 3.006 0 40 HGAB Cc1cccc(C(C)C)c1NC(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 58304504 FCNSDGVAQOOQDS-UHFFFAOYSA-N 409.534 3.374 0 40 HGAB COc1cc(NC(=O)CN2C(=O)c3ccccc3N[C@H]2C(C)C)cc(OC)c1OC 62001435 RLARQMGZQYZCOW-OAQYLSRUSA-N 413.474 3.201 0 40 HGAB biogenic CCN(C(C)=O)c1nc2ccccc2n(CC(=O)Nc2cccc(Cl)c2C)c1=O 64987618 LAZHKCDTZPPAJV-UHFFFAOYSA-N 412.877 3.370 0 40 HGAB CS(=O)(=O)c1ccc(N[C@H](c2ccccc2)c2ccccn2)c(S(C)(=O)=O)c1 65519188 KFIFERLMYWKSDN-HXUWFJFHSA-N 416.524 3.090 0 40 HGAB CCOC(=O)c1ccccc1NC(=O)Cn1c(-c2ccc(OC)cc2)nc(C)cc1=O 67198561 HCCWWZBCNQPBHD-UHFFFAOYSA-N 421.453 3.043 0 40 HGAB O=C(Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2Cc2ccccc2F)cc1)c1ccco1 67896516 DBQCZYUCSJKSHC-DENIHFKCSA-N 424.428 3.132 0 40 HGAB biogenic,in-vitro COc1ccc([C@@H]2[C@@H](NC(=O)[C@H](C)CN3CCOCC3)[C@H]3CCCC[C@H]32)cc1OC 72337853 QMTRVFBSDSLGJE-VMJPAEAXSA-N 416.562 3.061 0 40 HGAB O=C(COc1ccccc1F)N1CCC(Cc2cc(Nc3cnccn3)ncn2)CC1 72383427 JDHDCIBMVQUVRF-UHFFFAOYSA-N 422.464 3.009 0 40 HGAB CCCc1ccc(C(=O)Nc2ccccc2C(=O)NCCCN2CCOCC2)cc1 95115825 VSXFBESWVBTSGK-UHFFFAOYSA-N 409.530 3.344 0 40 HGAB COc1cc(NC(=O)CN2CCC[C@H]2CC(=O)c2ccccc2)cc(OC)c1OC 95412437 BOQZJULYUFTSFZ-SFHVURJKSA-N 412.486 3.388 0 40 HGAB CC(C)C[C@H](NC(=O)CNC(=O)c1ccc2ccccc2c1)C(=O)Nc1nccs1 95456296 VMYUASOMFYOXBP-SFHVURJKSA-N 424.526 3.196 0 40 HGAB Cc1cc(C)n(Cc2cccc(C(=O)N[C@@H](CO)Cc3c[nH]c4ccccc34)c2)n1 95456362 MKJHOFXIXBPXPP-OAQYLSRUSA-N 402.498 3.363 0 40 HGAB COc1cccc(C(=O)Oc2ccc(N3C(=O)[C@H]4[C@@H]5C=C[C@@H]([C@H]6C[C@H]56)[C@@H]4C3=O)cc2)c1 101000308 SLTBMMZTCUCZOM-HJEMKOJISA-N 415.445 3.472 0 40 HGAB O=C1CCC[C@@H]1[C@@H]1COCCN1S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F 108388722 CWZRPWMBHVNMEY-YPMHNXCESA-N 411.829 3.118 0 40 HGAB Cc1ccc(CSCCNC(=O)[C@@H](C)N(c2cccc(F)c2)S(C)(=O)=O)cc1 220468524 DETYZELXNVONDA-MRXNPFEDSA-N 424.563 3.338 0 40 HGAB CC[C@H](C(=O)NCCCN(C)c1ccccc1)N(c1ccccc1F)S(C)(=O)=O 220608539 FHIZTGNSMLZDSX-LJQANCHMSA-N 421.538 3.013 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N2c3ccccc3C[C@H]2C)cc1 222745799 FSGULPZQWHPIOX-MRXNPFEDSA-N 402.516 3.074 0 40 HGAB CNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CSCc1ccccc1F 222868757 JQDYPSKIQNPBNI-HNNXBMFYSA-N 404.507 3.231 0 40 HGAB COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)Nc1ccc(C)c(Cl)c1 224882967 OOHCJIZJBOEPLX-UHFFFAOYSA-N 410.923 3.479 0 40 HGAB O=C(Nc1nnc(S(=O)(=O)NCC2CCCCC2)s1)c1ccc(Cl)cc1 225206311 KIKRBNHSHGLTEV-UHFFFAOYSA-N 414.940 3.302 0 40 HGAB CC(C)C[C@@H](NC(=O)CN(Cc1ccccc1F)S(C)(=O)=O)c1ccccc1 225551311 VQJZGLHZKZTNLZ-HXUWFJFHSA-N 406.523 3.491 0 40 HGAB CC[C@H](NC(=O)CN(c1ccc(F)cc1)S(C)(=O)=O)c1ccc(OC)c(C)c1 225640590 HFYWDNCOXYOMTJ-SFHVURJKSA-N 408.495 3.176 0 40 HGAB COCCNC(=S)Nc1nc(N2CCC(C)CC2)cc(N2CCCC[C@@H]2C)n1 225898188 VMEJQFVEWJAYLC-INIZCTEOSA-N 406.600 3.025 0 40 HGAB CCOc1ccc(O[C@H](C)C(=O)N2[C@H]3CC[C@H]2c2cnc4cc(C)nn4c2C3)cc1 248338974 SFQJDZROOUZLBQ-GUXCAODWSA-N 406.486 3.492 0 40 HGAB CC(=O)N1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)c1cnccn1 257229454 FYEYKOAWTJEWFC-ACUMWEPGSA-N 418.541 3.482 0 40 HGAB CC(=O)NC[C@]1(c2ccccc2)CC[C@H](O)[C@@H](N(C)C(=O)c2cccc(F)c2)CC1 257307396 SYLXALGTIZTNSO-WPFOTENUSA-N 412.505 3.275 0 40 HGAB Cc1nc([C@@H]2CCN(C(=O)[C@H](C)c3ccccc3)C2)nc(C)c1CC(=O)N1CCCC1 257311829 ULEOWPJLROFOCY-DYESRHJHSA-N 420.557 3.378 0 40 HGAB Cc1nc([C@H]2CCN(C(=O)C(C)C)C2)nc2c1CC(=O)N2CCCc1ccccc1 257323240 WJHNELNHVGOERD-IBGZPJMESA-N 406.530 3.279 0 40 HGAB CC(=O)O[C@@H]1C[C@]2(C)[C@H](OC(C)=O)CC[C@@H]2[C@@H]2CC(=O)[C@@]3(O)CCCC[C@]3(C)[C@H]21 257348312 DFIRLJQMOGCRHN-RKSBBXTQSA-N 406.519 3.186 0 40 HGAB C[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1)c1ccc2c(c1)CCC2 260928767 KTJQQCPDKTZASV-UWJYYQICSA-N 412.555 3.453 0 40 HGAB Cc1nc(C(=O)N2CCC3(CC2)c2ccccc2N(CC(C)C)S3(=O)=O)cs1 306123328 AKJJLISUEBRMNS-UHFFFAOYSA-N 419.572 3.389 0 40 HGAB COc1ccc(CNC(=O)c2ccccc2NC(=O)C(=O)N[C@H]2CCCC[C@@H]2C)cc1 408709515 CFSWJIHUBRBPTA-JXFKEZNVSA-N 423.513 3.259 0 40 HGAB COC(=O)CN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)NC1=S 409211280 LJVYQCAJMPSCMA-QPEQYQDCSA-N 411.266 3.484 0 40 HGAB O=S(=O)(NCC1CCN(CC(F)(F)F)CC1)c1ccc(Br)s1 444227696 ZYPIVZSYIYGQPT-UHFFFAOYSA-N 421.304 3.063 0 40 HGAB C[C@H](CC(=O)N1CCOc2ncc(Br)cc21)NC(=O)C1CCCCC1 542571050 DQPPETIKFZWLAG-GFCCVEGCSA-N 410.312 3.045 0 40 HGAB CCOC(CNc1nccc(C(F)(F)F)n1)CNc1nccc(C(F)(F)F)n1 542968588 QRRCSJHIEJLBGX-UHFFFAOYSA-N 410.322 3.233 0 40 HGAB O=C(c1cc(-c2cccs2)[nH]n1)N1CCC[C@H](n2cnc3ccccc3c2=O)C1 575615612 FFZRNSVNCBAIQX-AWEZNQCLSA-N 405.483 3.325 0 40 HGAB COC(=O)c1ccc(OC)c(S(=O)(=O)NC[C@@H](c2ccco2)c2cccs2)c1 585147758 YTJFVTKOAATBAF-AWEZNQCLSA-N 421.496 3.247 0 40 HGAB C[C@H](Oc1ccccc1Cl)C(=O)N1CCC(n2nc(C3CC3)ccc2=O)CC1 1775986123 WGSZYFKFCSHNTK-AWEZNQCLSA-N 401.894 3.405 0 40 HGAB Cc1cc(=O)n(C2CCCC2)c2nc(N3CCC[C@@H](COc4cnccn4)C3)ncc12 2298229062 YSRFJCDTAYCTRZ-QGZVFWFLSA-N 420.517 3.300 0 40 HGAB O=C(COc1ccc(F)cc1)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 858379 LHJPATKHUWSVDI-UHFFFAOYSA-N 407.448 3.101 0 40 HGAB COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1ccc(S(N)(=O)=O)cc1 1311696 CJXZYBFZKSSOTO-FARCUNLSSA-N 401.271 3.301 0 40 HGAB COC(=O)CN1C(=O)CN=C(c2ccccc2Cl)c2cc(Br)ccc21 2376156 RXYBIZPPDUOOGI-UHFFFAOYSA-N 421.678 3.460 0 40 HGAB O=C(O)[C@H](Cc1ccc(Cl)cc1)NS(=O)(=O)c1cccc(C(F)(F)F)c1 3050896 DVKJCOIVOBGJKD-AWEZNQCLSA-N 407.797 3.333 0 40 HGAB COCCn1c(SCC(=O)N2c3ccccc3C[C@H]2C)nnc1-c1ccncc1 3292871 QWQTWJAWHODJIW-OAHLLOKOSA-N 409.515 3.056 0 40 HGAB O=C(CN1C(=O)c2ccccc2S1(=O)=O)Nc1ccccc1Cc1ccccc1 3348389 TWJRLXJKUMMWNJ-UHFFFAOYSA-N 406.463 3.061 0 40 HGAB COCCn1c(SCC(=O)N2c3ccccc3C[C@@H]2C)nc2ccccc2c1=O 3437215 QLLLOFXORVMEAO-HNNXBMFYSA-N 409.511 3.113 0 40 HGAB Cc1ccc(-n2ncc3c(=O)n(CC(=O)Nc4cccc(Cl)c4)cnc32)c(C)c1 4479313 VPNLETGCYVADOF-UHFFFAOYSA-N 407.861 3.491 0 40 HGAB COc1ccc(N2C[C@H](C(=O)Nc3nc4c(s3)C(=O)CC(C)(C)C4)CC2=O)cc1 4731941 OVXIIYKSTJIIIU-GFCCVEGCSA-N 413.499 3.298 0 40 HGAB O=C(NCc1ccco1)C(=O)Nc1c2c(nn1-c1cccc(Cl)c1)CSC2 4941807 YPPDRYAOWDVLLY-UHFFFAOYSA-N 402.863 3.120 0 40 HGAB COc1cc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2C[C@@H]2CCCO2)ccc1O 5342753 LBNGANKQKIIDBA-FPTDNZKUSA-N 421.453 3.221 0 40 HGAB CC(=O)Nc1ccc(S(=O)(=O)N2CCc3cc4c(cc3[C@H]2C)OCCCO4)cc1 5354901 SISLJBTWXMPNDL-CQSZACIVSA-N 416.499 3.114 0 40 HGAB Nc1nc(N)nc(SCC(=O)N2c3ccccc3SC[C@H]2c2ccccc2)n1 5505988 UXLWGQWCVMPRJJ-AWEZNQCLSA-N 410.528 3.008 0 40 HGAB Cc1c(C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)oc2ccccc12 6237188 CTDKYQVLGGCYEB-UHFFFAOYSA-N 402.447 3.027 0 40 HGAB COc1cc(CCC(=O)O[C@H](C)C(=O)N[C@@H]2CCCC[C@@H]2C)cc(OC)c1OC 6639313 YWEMHMBMZBKCPF-ZMSDIMECSA-N 407.507 3.272 0 40 HGAB C[C@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)NCCCSc1ccccc1)C2=O 6784902 ZRDIQCGSJWAESJ-AOMKIAJQSA-N 417.575 3.422 0 40 HGAB O=C(CSc1nnc(C2CC2)n1-c1ccccc1)NC(=O)NCc1ccccc1 6788799 PBBJRXPYPFMPEO-UHFFFAOYSA-N 407.499 3.263 0 40 HGAB Cc1occc1-c1nnc(SCC(=O)Nc2ccccc2C(=O)NC2CC2)n1C 7236733 CKUAVUJSKZJGKU-UHFFFAOYSA-N 411.487 3.007 0 40 HGAB COc1ccc(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)cn1 8017386 ZIYFXTZMNYKTSM-UHFFFAOYSA-N 411.483 3.476 0 40 HGAB CCNc1nnc(SCC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)s1 8185449 ZMWMRIOUVOAQCR-ZDUSSCGKSA-N 406.533 3.197 0 40 HGAB COc1cccc(NC(=O)COC(=O)CCCC(=O)Nc2ccc(C(C)=O)cc2)c1 8412715 GYWQUYDILBAOEB-UHFFFAOYSA-N 412.442 3.189 0 40 HGAB O=S(=O)(c1cc(F)ccc1F)N1CCN(c2cccc(C(F)(F)F)c2)CC1 8447962 YREWMRFZWDKMSI-UHFFFAOYSA-N 406.376 3.495 0 40 HGAB Cc1cccc(C)c1NC(=O)CN1C(=O)N[C@]2(CCSc3ccc(F)cc32)C1=O 9683070 BYEJKLPVWDJABG-NRFANRHFSA-N 413.474 3.324 0 40 HGAB CCCOc1ccc(-c2nc3s/c(=C/c4cccc(OC)c4OC)c(=O)n3n2)cc1 9971890 DCWMABRTEOXMLF-QGOAFFKASA-N 423.494 3.172 0 40 HGAB Cn1c(N2CCC[C@@H](C(=O)Nc3ccc(N4CCOCC4)cc3)C2)nc2ccccc21 12116428 BKOZEIAPVFIOIV-GOSISDBHSA-N 419.529 3.265 0 40 HGAB COc1ccc([C@@H](O)CN2CCC3(CC2)C[C@H](O)c2cc(F)ccc2O3)cc1OC 12329663 LVJYNKJPGVZBOW-OALUTQOASA-N 417.477 3.227 0 40 HGAB O=C(NCC(=O)N1CCC(C(=O)Nc2ccc(F)c(Cl)c2)CC1)c1ccccc1 12409487 KGGFNOLMWLPWDI-UHFFFAOYSA-N 417.868 3.086 0 40 HGAB C[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2ccc(N3CCCCC3)cc2)C1=O 12517496 LESNERPQAOALAV-HSZRJFAPSA-N 424.476 3.222 0 40 HGAB COc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(OCC(N)=O)cc2)cc1 12543803 DFQJWBRNRDVTEK-QFIPXVFZSA-N 403.438 3.330 0 40 HGAB COc1cc(/C=C/C(=O)O)cc(S(=O)(=O)Nc2ccc3nc(C)oc3c2)c1OC 12775250 NTYRCLPEJSLXNZ-QPJJXVBHSA-N 418.427 3.052 0 40 HGAB O=C(Nc1cccc(C(=O)N2CCC(C(=O)N3CCCC3)CC2)c1)c1cccs1 12809017 VSMVECFBYWCPQY-UHFFFAOYSA-N 411.527 3.475 0 40 HGAB C[C@H]1CCCN(Cc2csc(NC(=O)CNC(=O)c3ccccc3Cl)n2)C1 12810240 XMXOGIRBSBKFED-ZDUSSCGKSA-N 406.939 3.397 0 40 HGAB CCOC(=O)c1sc2nc(CN3CCOCC3)nc(N3CCCCCC3)c2c1C 13075379 LOZVWFRBFSNIDW-UHFFFAOYSA-N 418.563 3.389 0 40 HGAB O=C(NCCOc1ccc2nnc(-c3cccc(F)c3)n2n1)Nc1ccccc1F 13706051 WGFABGRVDWFGTG-UHFFFAOYSA-N 410.384 3.270 0 40 HGAB O=C(CSc1n[nH]c(/C=C/c2ccc(F)cc2)n1)NCc1ccc2c(c1)OCO2 14897737 PSIYUSYCGDMKRZ-XBXARRHUSA-N 412.446 3.251 0 40 HGAB CCOc1ccc(/C=C/C(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)cc1OC 15313034 SVDWIIGOTOFIGG-FMIVXFBMSA-N 418.515 3.305 0 40 HGAB Cc1ccccc1OCC(=O)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1 15787675 GUQHALPIXRRYRI-UHFFFAOYSA-N 400.347 3.418 0 40 HGAB CNC(=O)c1ccc(S(=O)(=O)N2CCc3cc(-c4csc(C)n4)ccc32)cc1 17520415 DXGQNDLAQBLKKS-UHFFFAOYSA-N 413.524 3.230 0 40 HGAB C[C@@H](Oc1ccccc1F)C(=O)N1CC[C@H](c2cc(O)nc(-c3ccccn3)n2)C1 19077653 ZGSSUQIKRBYDCN-CABCVRRESA-N 408.433 3.167 0 40 HGAB COc1cccc(-c2noc([C@@H]3CN(C(=O)COc4c(C)cccc4C)CCO3)n2)c1 19236064 LVHDFKAEFRQDRC-IBGZPJMESA-N 423.469 3.341 0 40 HGAB NC(=O)[C@]1(Cc2ccccc2-c2ccncc2)CCN(C(=O)Cc2ccc(F)cc2)C1 19348428 SFXCXTRBBHARPQ-VWLOTQADSA-N 417.484 3.377 0 40 HGAB O=C(Cc1cccc(F)c1)N[C@@H](Cc1cc(=O)[nH]c(N2CCCC2)n1)c1ccccc1 19369357 SCZNCZLUAJAOOS-NRFANRHFSA-N 420.488 3.152 0 40 HGAB CC(C)NC(=O)[C@@]1(Cc2ccc(-c3cccs3)cc2)CN(C(=O)C2CC2)CCO1 19449663 NXJYFQGTEOAGKF-HSZRJFAPSA-N 412.555 3.490 0 40 HGAB Cc1noc2nc([C@H]3CCCN(C(=O)CCCn4cncn4)C3)cc(C(F)(F)F)c12 19563862 DBLATAIKAKLUCZ-ZDUSSCGKSA-N 422.411 3.328 0 40 HGAB COc1ccc(S(=O)(=O)CCNC(=O)c2cc3cc(Cl)ccc3nc2C)cc1 19718679 NKMYYKUEUUJYCU-UHFFFAOYSA-N 418.902 3.409 0 40 HGAB COc1ccc(S(=O)(=O)N(C)Cc2ccc(C)cc2)cc1C(=O)N1CCCC1 20041542 QMEWHOHONTYLTQ-UHFFFAOYSA-N 402.516 3.060 0 40 HGAB CCOC(=O)Cn1c(=N)n(CCOc2ccc(Br)cc2)c2ccccc21 20291566 PUGHBWUJXVNMRF-UHFFFAOYSA-N 418.291 3.327 0 40 HGAB O=C(NCc1ccc2c(c1)OCO2)c1nnc(-c2cccc(Br)c2)o1 20739963 RHTJHEIKCNBGDF-UHFFFAOYSA-N 402.204 3.158 0 40 HGAB C[C@@H]1C[C@@H](C)CN(Cc2csc(NC(=O)Cn3c(=O)oc4ccccc43)n2)C1 22293215 LURTXBSWKGVKQL-ZIAGYGMSSA-N 400.504 3.168 0 40 HGAB COc1ccc(C(=O)NCC2(N3CCOCC3)CCCCC2)cc1Br 22462473 RULYDXQZVYEDAL-UHFFFAOYSA-N 411.340 3.223 0 40 HGAB COc1ccc(S(=O)(=O)N[C@H](C)c2ccc(C)cc2C)cc1C(=O)NC(C)C 22519271 MVEBUGYOTXXRBG-MRXNPFEDSA-N 404.532 3.490 0 40 HGAB Cc1nn(-c2ccccc2)c(C)c1CNC(=O)CCc1nc(-c2ccncc2)no1 23112436 TWVQDQROTYZVBY-UHFFFAOYSA-N 402.458 3.183 0 40 HGAB O=C(NCCC(=O)N1CCN(Cc2cccc3ccccc23)CC1)c1ccccc1 24045350 XGFGUHNPEWDHHY-UHFFFAOYSA-N 401.510 3.304 0 40 HGAB O=C(CSc1nnnn1CCc1cccs1)N1CCCc2cccc(F)c21 26848682 JZZSNYKFKSFTMR-UHFFFAOYSA-N 403.508 3.188 0 40 HGAB O=C(NCCCN1CCc2ccccc21)C1(S(=O)(=O)c2ccccc2)CCCC1 30252740 RPAIYKFYTJESSW-UHFFFAOYSA-N 412.555 3.342 0 40 HGAB CC(C)NC(=O)Nc1ccccc1C(=O)OCc1cc(=O)n2cc(Cl)ccc2n1 32777634 QFMHOXYJBXGIAZ-UHFFFAOYSA-N 414.849 3.235 0 40 HGAB COc1ccc(CN2C(=O)CC[C@@]2(C)C(=O)Nc2ccc(N3CCOCC3)cc2)cc1 33434004 DHXMYAPKKISSDC-DEOSSOPVSA-N 423.513 3.052 0 40 HGAB COCCN1CCCc2ccc(NS(=O)(=O)c3ccc(NC(C)=O)cc3C)cc21 35588261 GYEUKOZFIRWNFP-UHFFFAOYSA-N 417.531 3.153 0 40 HGAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)N1CCN(CC(=O)Nc2cccc(F)c2)CC1 37224291 GNLOOIMMGCCSEJ-OAHLLOKOSA-N 419.884 3.029 0 40 HGAB Cc1ccc(CNC(=O)C2CCN(C(=O)[C@H]3COc4ccccc4C3)CC2)cc1F 40113980 SYOUGGXQQMNITO-HXUWFJFHSA-N 410.489 3.240 0 40 HGAB CCCCN(CCCC)S(=O)(=O)NC[C@H](c1ccc(C)cc1)N1CCOCC1 40156748 CDOYIDHDEZMJPE-OAQYLSRUSA-N 411.612 3.105 0 40 HGAB C[C@@H]1Oc2ccc(NC(=O)c3cc(-c4ccc5c(c4)OCCO5)on3)cc2N(C)C1=O 41155919 IWNGTIKLCSCAMD-LBPRGKRZSA-N 421.409 3.109 0 40 HGAB O=C(c1cnc(OCC(F)(F)F)c(Cl)c1)N1CCN(c2ccccc2O)CC1 44902381 HIJQGIJFHOMDMD-UHFFFAOYSA-N 415.799 3.344 0 40 HGAB Cn1c(CN2C(=O)N[C@](C)(c3cc(F)ccc3F)C2=O)nc2cc(Cl)ccc21 47354042 IYVQZEXBSRHAGJ-LJQANCHMSA-N 404.804 3.472 0 40 HGAB CCOC(=O)CCN(CC1CC1)S(=O)(=O)c1ccc(Br)cc1Cl 48299438 OFSWFLNVMBMOEX-UHFFFAOYSA-N 424.744 3.456 0 40 HGAB CC(C)c1ccc(NC(=O)Cn2nc3c(Oc4ccccc4)nccn3c2=O)cc1 49008163 DOVUGISYYLGMDU-UHFFFAOYSA-N 403.442 3.445 0 40 HGAB CCCc1noc(CCCC(=O)NC[C@H](O)c2ccc(OC(F)(F)F)cc2)n1 58173727 PBUUVHNPCRGBNU-AWEZNQCLSA-N 401.385 3.093 0 40 HGAB CCOC(=O)[C@H](c1ccc(F)c(F)c1)N(C)S(=O)(=O)c1cccc(C(C)=O)c1 58316345 PMTAJFBBRNLYSC-SFHVURJKSA-N 411.426 3.092 0 40 HGAB CCc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccc(Cl)cc4)ncn3n2)cc1 67208847 HNXPIQIRBVVBHO-UHFFFAOYSA-N 407.861 3.413 0 40 HGAB CC(C)c1ccc(NC(=O)CN2CCC(Nc3nc4c(c(=O)[nH]3)CCCC4)CC2)cc1 72341832 FBOMKQHTCJZTJS-UHFFFAOYSA-N 423.561 3.287 0 40 HGAB COc1nn(C)cc1C(=O)Nc1ccc(C(=O)NCCc2c[nH]c3ccccc23)cc1 77180415 SZVJRZZPRWJWAQ-UHFFFAOYSA-N 417.469 3.135 0 40 HGAB Cc1ccc(C(=O)NCCNC(=O)[C@@H](c2c(F)cccc2Cl)N(C)C)cc1F 78869350 MDYMDRAMVZVMOX-GOSISDBHSA-N 409.864 3.076 0 40 HGAB COC(=O)c1ccc(NS(=O)(=O)c2cnn(-c3ccccc3Cl)c2C)s1 89545021 GBHZWYVOKZWTOK-UHFFFAOYSA-N 411.892 3.483 0 40 HGAB O=C(COC(=O)C1(O)CCSCC1)Nc1ccc(OCc2ccccc2)cc1 89836783 RLVQMUYETIJHID-UHFFFAOYSA-N 401.484 3.005 0 40 HGAB O=C(Nc1c[nH]nc1-c1ccccc1)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O 89847964 CSWUTMLAMAWHMZ-INIZCTEOSA-N 416.437 3.104 0 40 HGAB Cc1cc(C)n(-c2ccc(NC(=O)c3ccccc3NS(C)(=O)=O)cc2F)n1 95365197 RYSCNKIOXRESBU-UHFFFAOYSA-N 402.451 3.252 0 40 HGAB COc1ccc(S(=O)(=O)Nc2[nH]nc(C)c2-c2ccc3c(c2)OCCO3)cc1C 95430563 SUPWQKXAEZOERJ-UHFFFAOYSA-N 415.471 3.274 0 40 HGAB C[C@@H]1Cc2cc(C(=O)OCc3cn4cc(Cl)ccc4n3)ccc2N1S(C)(=O)=O 95469928 AMHHUBBCOCGIIP-GFCCVEGCSA-N 419.890 3.055 0 40 HGAB CC(C)N1C(=O)C[C@@H](C(=O)NCCOCC(F)(F)F)[C@H]1c1ccc(Cl)c(F)c1 95989082 DSQVQNAYYYVPBB-MLGOLLRUSA-N 424.822 3.472 0 40 HGAB O=S(=O)(c1ccc(Br)s1)N1CCC(Oc2ccccn2)CC1 96024754 CCMRPOLMRYVNCQ-UHFFFAOYSA-N 403.323 3.138 0 40 HGAB COc1cc2c(cc1OC)CN(C(=O)Cn1ccc3c(NC(C)=O)cccc31)CC2 96115221 DMKYEWXKUCTPSS-UHFFFAOYSA-N 407.470 3.202 0 40 HGAB biogenic COc1cccc(NC(=O)N2CCC(S(=O)(=O)c3ccc(F)cc3)CC2)c1OC 96374170 VEMGYLDTOZBXML-UHFFFAOYSA-N 422.478 3.313 0 40 HGAB CS(=O)(=O)N(CC(=O)NCCCc1ccccc1Cl)c1ccc(F)cc1F 220091143 LNLRFBIXZFHEPN-UHFFFAOYSA-N 416.877 3.133 0 40 HGAB CCOc1ccccc1CCCNC(=O)[C@@H](C)N(c1ccccc1F)S(C)(=O)=O 220315012 IEKPBQJPMKBZJU-MRXNPFEDSA-N 422.522 3.128 0 40 HGAB Cc1c(C(=O)NCCOc2ccc(C(C)(C)C)cc2)cccc1N(C)S(C)(=O)=O 223656040 IQXVZEJYFAGVLS-UHFFFAOYSA-N 418.559 3.497 0 40 HGAB CC(C)(C)c1ccc(OCCNC(=O)CN(c2ccccc2F)S(C)(=O)=O)cc1 223667416 MHSNIGHGFIMANW-UHFFFAOYSA-N 422.522 3.084 0 40 HGAB Cc1nc(N2CCN(C(=O)c3cc(-c4cccs4)on3)CC2)cc(C(F)(F)F)n1 244975179 IFIKYFDKRSSAJZ-UHFFFAOYSA-N 423.420 3.483 0 40 HGAB CN1C(=O)N(C)C(=O)C2(Cc3cc(F)ccc3N3[C@H]4CC(C)(C)C[C@@](C)(C4)[C@@H]32)C1=O 245255649 JVQFJWKZMZZBEG-LBUQITIBSA-N 413.493 3.192 0 40 HGAB Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(C)c(C(=O)N2CCOCC2)c1 408602055 HOZFUDWQKWOXKY-UHFFFAOYSA-N 408.907 3.230 0 40 HGAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCc2ccccc2Cl)cc1C 408610392 TZNBRUNFJCGKRQ-AWEZNQCLSA-N 410.923 3.030 0 40 HGAB COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(OCC(C)C)cc2)C1=O 409221266 NRRGKEFYWSUXGA-XDHOZWIPSA-N 423.469 3.261 0 40 HGAB CCn1ccnc1CN1CCCN([C@@H](C)C(=O)N2c3ccccc3CC[C@@H]2C)CC1 592190251 WQXYGSZKUQDHSD-PMACEKPBSA-N 409.578 3.167 0 40 HGAB O=S(=O)(Nc1ccc(F)cc1)c1ccc(F)c(S(=O)(=O)C(F)(F)F)c1 1188758122 MAEPANXFMHMHNG-UHFFFAOYSA-N 401.334 3.059 0 40 HGAB O=C([C@@H]1CC(=O)N(c2ccccc2)C1)N1CCC(c2ccc3cccnc3n2)CC1 1888921765 CPRPOKVEYJQYAO-LJQANCHMSA-N 400.482 3.389 0 40 HGAB Cc1c(NC(=O)c2cccc(NC(=O)[C@H]3C[C@H]3C)c2)c(=O)n(-c2ccccc2)n1C 36760570 AQIQVNLVOGHVQJ-KUHUBIRLSA-N 404.470 3.331 0 40 HGAB COc1ccc(-c2nnc(S)n2CC(=O)Nc2cnc3c(cnn3C(C)C)c2)cc1 29066419 NTWXVSPHCWNYMB-UHFFFAOYSA-N 423.502 3.207 0 40 HGAB COc1cccc(NC(=O)CN(C)[C@@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)c1 16622565 HNDYHIDAAWBFEL-LBPRGKRZSA-N 400.504 3.242 0 40 HGAB O=C(NCc1cnn(-c2ccccc2)c1)c1ccc(CS(=O)(=O)c2ccccc2)o1 11564568 XCCAILCHAIHJQS-UHFFFAOYSA-N 421.478 3.369 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(Cl)cc3)CC2)cc1 797098 NCCSALYQONWOCP-UHFFFAOYSA-N 406.935 3.366 0 40 HGAB COc1cc(C)c(S(=O)(=O)N2CCC(NC(=O)c3ccccc3C)CC2)c(C)c1 32443806 OHMGMFCKQLAPSA-UHFFFAOYSA-N 416.543 3.204 0 40 HGAB CCc1ccc2[nH]c(=O)c(CN(Cc3cccnc3)C(=S)NCCOC)cc2c1 4127287 RTKFQHHBGRVYGQ-UHFFFAOYSA-N 410.543 3.009 0 40 HGAB CCC(C)(C)n1nnnc1[C@@H](c1cc2ccc(OC)cc2[nH]c1=O)N1CCC[C@H](C)C1 4161874 NRXFMFVUBVTOIA-MGPUTAFESA-N 424.549 3.490 0 40 HGAB COc1ccc2oc(C(=O)O[C@H](C)C(=O)NC(=O)NC3CCCCC3)c(C)c2c1 4319150 WMXDERVPGSLMCX-CYBMUJFWSA-N 402.447 3.454 0 40 HGAB C[C@H]1CN(CCCNC(=O)Cc2ccc(NC(=O)OC(C)(C)C)cc2)C[C@@H](C)O1 32755416 FOZSRWAARUVPNY-CALCHBBNSA-N 405.539 3.192 0 40 HGAB COCCn1c(C)cc(C(=O)CSc2nncn2-c2ccccc2OC)c1C 2627316 YMMHKQXEEQNLPH-UHFFFAOYSA-N 400.504 3.316 0 40 HGAB CC(=O)Nc1cccc(C(=O)Nc2ccc3c(c2)N(C(=O)c2cccnc2)CC3)c1 11999101 HZMCPHLSOPFNMP-UHFFFAOYSA-N 400.438 3.495 0 40 HGAB CC(C)c1ccc(/C=c2\sc3nc([C@@H]4COc5ccccc5O4)nn3c2=O)cc1 16742067 MDYRSFXJPFZSFL-FUDBJYBQSA-N 405.479 3.335 0 40 HGAB CC(C)OC(=O)[C@@H]1C(=O)C[C@@](C)(O)[C@H](C(=O)OC(C)C)[C@@H]1c1ccc(Cl)cc1 101176150 CTPJHIYBLCRVGW-DCXXXQMHSA-N 410.894 3.283 0 40 HGAB C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1 8268395 SYPHOMRSOHBVLO-YWZLYKJASA-N 420.465 3.339 0 40 HGAB COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc2c(c1)NC(=O)[C@H](C)S2 32991028 QDYMWKWAFKTQPU-KPZWWZAWSA-N 423.494 3.115 0 40 HGAB Cc1ccc(C(=O)CSc2nnc(N3CCOCC3)n2Cc2ccco2)c(C)c1 12216750 SPNJYYWSWUQRGC-UHFFFAOYSA-N 412.515 3.348 0 40 HGAB COc1ccc(Cl)cc1NC(=O)CN1CCN(Cc2ccc3c(c2)CCO3)CC1 22805447 YRUPBJGGLSMLIZ-UHFFFAOYSA-N 415.921 3.040 0 40 HGAB O=C([C@@H]1CCCC[C@@H]1C(=O)N1CCc2ccccc21)N1CCN(c2nccs2)CC1 23007696 QXBNBFWQUCIDPB-MOPGFXCFSA-N 424.570 3.187 0 40 HGAB COc1cccc(NC(=O)Nc2ccc3c(c2)N(S(C)(=O)=O)CCC3)c1OC 22503429 KSWOTQASRDADQB-UHFFFAOYSA-N 405.476 3.060 0 40 HGAB CCOc1cc2c(cc1CNC(=O)[C@@H](NC(=O)c1ccccc1)C(C)C)O[C@@H](C)C2 24317467 HAZVGTOUJUVFJE-AOMKIAJQSA-N 410.514 3.480 0 40 HGAB Cc1cc2ccccc2n1CC(=O)O[C@H](C)C(=O)c1ccc(NS(C)(=O)=O)cc1 25191233 WOOCGKHJVAMRAX-OAHLLOKOSA-N 414.483 3.136 0 40 HGAB Cc1ccc([S@](=O)(=S)OCCO[S@](=O)(=S)c2ccc(C)cc2)cc1 103681697 TWMOMQTUICHMNW-PSWAGMNNSA-N 402.584 3.077 0 40 HGAB CCC(C)(C)n1nnnc1[C@@H](c1cc(OC)ccc1OC)N1CCC(C(=N)O)CC1 57669973 LUNIFHKVHQWWHP-GOSISDBHSA-N 416.526 3.172 0 40 HGAB NC(=O)CCN(Cc1ccccc1)C(=O)CSc1nc2ccc(Cl)cc2[nH]1 12575604 SVTZRHLGKOBEKS-UHFFFAOYSA-N 402.907 3.213 0 40 HGAB COc1ccc(-c2nc(Cn3nnc(C(=O)Nc4ccccc4F)c3N)c(C)o2)cc1 57511818 QDVCJAJNAAAYLK-UHFFFAOYSA-N 422.420 3.272 0 40 HGAB Cc1cc(N2CCCC2)ccc1NC(=O)N1CCN(CC(=O)Nc2ccccc2)CC1 58175450 HRLLYXKAECSLIY-UHFFFAOYSA-N 421.545 3.383 0 40 HGAB CC(C)OCCCn1c(N)c(C(=O)OC[C@H]2CCCO2)c2nc3ccccc3nc21 2222050 SNBWFCKJXNVUAS-OAHLLOKOSA-N 412.490 3.318 0 40 HGAB Cc1ccc(CN2C[C@H]3Cn4c(nnc4C(=O)NCc4ccccc4)C[C@H]3C2)cc1C 306143428 YCBPZYXDLLLHSW-VXKWHMMOSA-N 415.541 3.129 0 40 HGAB CC(C)NC(=O)CN1CCN(C(=O)CSc2cccc3cccc(Cl)c23)CC1 36385388 JFDDMBCDCGGTBL-UHFFFAOYSA-N 419.978 3.254 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(N(C)C)c(NC(=O)[C@H](C)Oc2ccccc2)c1 8392972 FIYUYEAKMTYFIP-INIZCTEOSA-N 419.547 3.189 0 40 HGAB CCc1ccc(CCC(=O)NCc2ccccc2CS(=O)(=O)NC(C)C)cc1 12878463 YBVAAQJXUIOVIE-UHFFFAOYSA-N 402.560 3.326 0 40 HGAB COc1ccccc1NC(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccccc1 3430673 PLKCKWWJQFLHTK-OAQYLSRUSA-N 422.506 3.450 0 40 HGAB CCOc1ccc(NC(=O)Cn2nnc(C(=O)Nc3c(C)cccc3C)c2C)cc1 71327397 RTOSQKDLHQTQQM-UHFFFAOYSA-N 407.474 3.493 0 40 HGAB CC[C@@H](C)[C@H](NC(=O)NCc1cccc(OC)c1)C(=O)NCc1cccc(OC)c1 9135037 LQTRJBAZANENJI-IERDGZPVSA-N 413.518 3.234 0 40 HGAB C[C@@H](NC(=O)COc1ccc(Br)cc1F)c1ccc(-n2cncn2)cc1 18158056 NVFQOSMISMCYIW-GFCCVEGCSA-N 419.254 3.425 0 40 HGAB CSc1ncccc1C(=O)OCC(=O)N(C)Cc1ccccc1Br 14199792 PLXLHTZTWBKLEZ-UHFFFAOYSA-N 409.305 3.381 0 40 HGAB COc1ccc(C2=NN(C(=O)COc3ccccc3C(N)=O)[C@@H](c3ccco3)C2)cc1 4550306 XOKNUUFCESKWKL-LJQANCHMSA-N 419.437 3.144 0 40 HGAB COc1ccccc1-n1cnnc1SCC(=O)c1ccc(CCCNC(C)=O)cc1 8710738 YAGUJUKZKNYWIY-UHFFFAOYSA-N 424.526 3.320 0 40 HGAB COc1ccc(-c2noc(C(=O)NCCNC(=O)c3ccc(C(C)(C)C)cc3)n2)cc1 15082639 RMRGDKJJVSRHIW-UHFFFAOYSA-N 422.485 3.203 0 40 HGAB CC1=C(C(=O)OC[C@H]2CCCO2)[C@@H](c2ccccc2C(F)(F)F)n2ncnc2N1 4987209 OKGHPWRKHUJLOL-MLGOLLRUSA-N 408.380 3.308 0 40 HGAB Cc1cc(=O)oc2cc(OCC(=O)OCC(=O)Nc3nc4ccccc4s3)ccc12 8881649 YTKUTYZBGSBPNE-UHFFFAOYSA-N 424.434 3.272 0 40 HGAB O=C(CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O)c1ccc2c(c1)CCCC2 8882966 QZRCHPNHMRWAMC-OAQYLSRUSA-N 401.466 3.393 0 40 HGAB Cc1nc(NS(=O)(=O)c2ccc(Cl)cc2)sc1C(=O)NCc1ccccn1 8978687 FYFLZQNHJMANJL-UHFFFAOYSA-N 422.919 3.231 0 40 HGAB COc1ccc(NC(=O)C(=O)Nn2c(CCC(=O)O)ccc2-c2ccc(C)cc2)cc1 9094902 KZGGDCLJJCJQHL-UHFFFAOYSA-N 421.453 3.198 0 40 HGAB Cn1c(SCC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)nc2ccccc21 7901350 SDPARASLNUMRDN-UHFFFAOYSA-N 415.540 3.261 0 40 HGAB COc1cccc(-c2noc(CN3C(=O)N[C@@](C)(c4ccc5c(c4)CCC5)C3=O)n2)c1 9749770 CBPYSGRCFNUPPJ-QHCPKHFHSA-N 418.453 3.201 0 40 HGAB COC(=O)C[C@@H](NC(=O)CCc1ccc(O)c(Cl)c1)c1ccc(OC)c(OC)c1 96004275 YJTSRMWJNSLWAT-MRXNPFEDSA-N 421.877 3.416 0 40 HGAB C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)CNC(=O)c1ccc(Cl)cc1Cl 9442393 XQTDTLOZYRMWIJ-GFCCVEGCSA-N 421.280 3.244 0 40 HGAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C)c3ccccc3)CC2)cc1 23652097 VANTVCYKUPIIDB-QGZVFWFLSA-N 416.543 3.363 0 40 HGAB CCn1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3OC)C2=O)c2ccccc21 409232655 AYUQEISYUFWJQU-LDADJPATSA-N 418.453 3.201 0 40 HGAB O=C1NC2(CCCCC2)C(=O)N1Cc1nnc(-c2ccccc2Br)o1 9596449 CIDAVYCNRVYJSU-UHFFFAOYSA-N 405.252 3.254 0 40 HGAB Cc1ccc(CNC(=O)C2CCN(C(=O)c3cccc(CN(C)C)c3)CC2)cc1F 72272965 RHWJPGYKDLYXRR-UHFFFAOYSA-N 411.521 3.364 0 40 HGAB COC(=O)CN1C(=S)N(c2ccc(OC)cc2)C(=O)/C1=C/C=C/c1ccccc1 409065227 FDVBSPCYYXFNSJ-CAMSTOTOSA-N 408.479 3.399 0 40 HGAB CCOC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1cc(CC)c(C)s1 72301374 FRCZNYDFKZDMCW-OAHLLOKOSA-N 410.536 3.244 0 40 HGAB CN(Cc1ccc2ccccc2c1)S(=O)(=O)c1cccc(CS(C)(=O)=O)c1 89360981 HNFJVDUGQFHYON-UHFFFAOYSA-N 403.525 3.205 0 40 HGAB O=C(Nc1cccc(C(=O)N[C@H]2CCN(C(=O)Nc3ccccc3)C2)c1)NC1CC1 554862244 BQPORPVJZMBMGJ-IBGZPJMESA-N 407.474 3.007 0 40 HGAB CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(F)cc3)C2)cc1 408558609 JUWQSPYXEXTGKR-HNNXBMFYSA-N 406.479 3.264 0 40 HGAB Cc1ccc(S(=O)(=O)N2CC(F)(F)C[C@@]3(CCCNC3=O)C2)c2ccccc12 306128938 HORIMOFJQBFMMW-IBGZPJMESA-N 408.470 3.074 0 40 HGAB COc1cc(CNC(=O)c2ccc(NS(C)(=O)=O)cc2)ccc1OCCC(C)C 32930829 KHAZFQMPVPZDPQ-UHFFFAOYSA-N 420.531 3.422 0 40 HGAB COc1ccc(-c2ccc(C)c(NC(=O)CCc3nc(-c4ncccn4)no3)c2)cn1 512938689 DOXSXKKSLGTVHY-UHFFFAOYSA-N 416.441 3.477 0 40 HGAB O=C(N[C@H]1C[C@H](c2ccc(Cl)cc2)C1)c1cnc2c(c1)c(O)nc(=O)n2C1CC1 527279525 OQPBYDOMHKLKRN-NNUKFRKNSA-N 410.861 3.161 0 40 HGAB O=C1C[C@@H](c2ccc(OCc3ccc(F)cc3)c(Br)c2)N2NC=NC2=N1 409375621 NCYGESYBEPGJDZ-HNNXBMFYSA-N 417.238 3.343 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)NCc1ccc(F)cc1 38772315 FWHFCMSYVSTSDZ-UHFFFAOYSA-N 404.507 3.485 0 40 HGAB O[C@@H]1[C@H](O)C[C@H](c2ccc(C(F)(F)F)nc2)[C@H]1NCc1cccc(C(F)(F)F)c1 77261965 PZTWUMGAGKLEAE-MUIFIZLQSA-N 420.353 3.487 0 40 HGAB biogenic,in-vitro O=C(N[C@@H]1CCS(=O)(=O)C1)c1cc2sccc2n1Cc1ccccc1Cl 40283993 MBGOAEKCSHHPMI-CYBMUJFWSA-N 408.932 3.321 0 40 HGAB CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NC[C@@H](C)c1ccccc1 225135654 IVFYPLMDFMAONC-OXQOHEQNSA-N 404.532 3.160 0 40 HGAB COc1ccc(CSCC(=O)NCc2cccc(CN3CCOCC3)c2)cc1 224707301 TXTJAZWDBKIJSS-UHFFFAOYSA-N 400.544 3.077 0 40 HGAB CCCN1C(C)=NS(=O)(=O)c2cc(C(=O)Nc3cccc(NC(C)=O)c3)ccc21 225866936 IRHMIPQODZIAKX-UHFFFAOYSA-N 414.487 3.234 0 40 HGAB CCOc1ccc(S(=O)(=O)N(CC(=O)OC)c2cccc(C(F)(F)F)c2)cc1 224587192 FYDUVJSQDCDMNB-UHFFFAOYSA-N 417.405 3.472 0 40 HGAB COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)N[C@H](C)c1ccccc1C 224512968 WMIPXGKMBDDJKA-MRXNPFEDSA-N 404.532 3.064 0 40 HGAB Cc1ccc(C(=O)Nc2nnc(-c3ccccc3)s2)cc1N(C)S(C)(=O)=O 225018996 GRNGYUSGWGNQRG-UHFFFAOYSA-N 402.501 3.162 0 40 HGAB CCOC(=O)c1cccc(NC(=O)c2cc(N(C)S(C)(=O)=O)ccc2Cl)c1C 222501638 LCHXFJLLJXOEBS-UHFFFAOYSA-N 424.906 3.473 0 40 HGAB CC[C@H](C(=O)Nc1nnc(SC(C)C)s1)N(c1ccccc1)S(C)(=O)=O 223431820 BJQSNVCHVYQMDW-CYBMUJFWSA-N 414.578 3.222 0 40 HGAB CCc1ccc(N([C@@H](C)C(=O)NCCSc2ccccc2)S(C)(=O)=O)cc1 220266581 QACARCBZTKTDMI-INIZCTEOSA-N 406.573 3.312 0 40 HGAB Cc1ccc(SCCNS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)cc1 225760087 XTVOCAVIJKSGIE-UHFFFAOYSA-N 416.568 3.365 0 40 HGAB Cc1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1OCC(=O)NCC(C)(C)C 226054073 VPUXPZVJIUPXFC-UHFFFAOYSA-N 408.495 3.476 0 40 HGAB COC(=O)c1nc(NC(=O)[C@H](CC(C)C)N2Cc3ccccc3C2=O)sc1C 95480100 UBZSHQZYLNIANL-HNNXBMFYSA-N 401.488 3.247 0 40 HGAB CSc1ncccc1C(=O)N1[C@H]2CC[C@@H]1CC(S(=O)(=O)c1ccccc1)C2 96104148 GNZUBJCAGNPJEX-FKEKPDDDSA-N 402.541 3.413 0 40 HGAB CC(=O)NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H](N(C)C(=O)CC2CCCC2)CC1 257218217 DCHICCITORORSO-CQOQZXRMSA-N 400.563 3.403 0 40 HGAB CCOc1ccc(Cc2cccc([C@H]3CN(C(=O)c4cnc(C)cn4)CCO3)n2)cc1 257273120 NFIQSLSDGLWNIH-HSZRJFAPSA-N 418.497 3.383 0 40 HGAB OCc1ccccc1CN(Cc1ccccc1)Cc1ccnc(N2CCOCC2)n1 257329191 XIWMRXRKHHLXFJ-UHFFFAOYSA-N 404.514 3.008 0 40 HGAB O=C(CN1c2ccc(F)cc2-c2ccccc2S1(=O)=O)N[C@H]1C[C@H]2CC[C@H]1C2 260408757 LOBUYTFHSKPYSQ-DEYYWGMASA-N 400.475 3.306 0 40 HGAB Cc1cccc(Nc2cc([C@H]3CCCN(C(=O)/C=C/c4cnn(C)c4)C3)nc(C)n2)n1 585292274 ZOKOLNKEILOMKZ-YXBWYFRISA-N 417.517 3.385 0 40 HGAB C[C@H]1CCn2ncc(C(=O)N[C@H]3CCc4nc(-c5ccc(F)cc5F)cn4C3)c2C1 1615613146 QJMRUHHASCTQDC-ZFWWWQNUSA-N 411.456 3.352 0 40 HGAB Cc1ccc2c(c1)NC(=O)C[C@@H]1CCN(S(=O)(=O)c3cccs3)C[C@@H]1CCO2 1534646899 VIEYVJUQLGQJQQ-HOTGVXAUSA-N 420.556 3.495 0 40 HGAB COC(=O)c1cc(NC(=O)CCc2ncc(-c3ccccc3)o2)cc(C(=O)OC)c1 11379827 UDIQPKRWQIHDDL-UHFFFAOYSA-N 408.410 3.486 0 40 HGAB C[C@H](C(=O)NCCn1nc(-c2ccc(F)cc2)cc1-c1cccnc1)n1ccnc1 19080274 ZBSVWNBAWUOJBA-MRXNPFEDSA-N 404.449 3.325 0 40 HGAB CC(C)Oc1ccc(CN2CCC(O)(Cn3cnc4ccccc4c3=O)CC2)cc1 19450588 YQHJQISOIHANGQ-UHFFFAOYSA-N 407.514 3.211 0 40 HGAB CN(C)C(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CCCN(C(=O)c2cccnc2)C1 19579339 FZQSZRZTANOXFP-XMMPIXPASA-N 418.497 3.290 0 40 HGAB O=S(=O)(N1CCCC1)N1CCC[C@H]1c1cc(CCOc2cccc(Cl)c2)[nH]n1 19703612 JQFOHTDHSIAAFT-IBGZPJMESA-N 424.954 3.162 0 40 HGAB COc1cccc(CN2C(=O)Cc3c(C)nc([C@@H]4CCCN(C(=O)C(C)C)C4)nc32)c1 19744586 GFQBARVUQAFDTI-GOSISDBHSA-N 422.529 3.245 0 40 HGAB Nc1nc(C2CCN(C(=O)Cc3ccccc3)CC2)ccc1C(=O)NC1CCCC1 19753934 SBDHHRJHVINXMI-UHFFFAOYSA-N 406.530 3.285 0 40 HGAB CCOC(=O)[C@](NC(=O)c1ccc(OC)cc1)(Nc1ncccc1C)C(F)(F)F 19938725 NGSKFKOAXUDVKO-GOSISDBHSA-N 411.380 3.062 0 40 HGAB biogenic O=C(Nc1ccc(F)cc1F)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1 408608757 SDWJHWGLZPIHMK-HXUWFJFHSA-N 416.449 3.493 0 40 HGAB COc1ccc([C@@H]2CN(C(=O)Cc3ccc(F)cc3)C[C@H]2c2cc(=O)[nH]c(C)n2)cc1 19285482 ZNRCBVGMIOLQLS-LEWJYISDSA-N 421.472 3.178 0 40 HGAB C[C@@H]1CCC[C@H](NC(=O)CCNS(=O)(=O)c2ccc(Br)cc2)[C@@H]1C 4661095 XHTOWJGWJPZOIX-IOASZLSFSA-N 417.369 3.058 0 40 HGAB FC(F)(F)c1cccnc1N1CC[C@H](COc2ccc3nnc(C4CC4)n3n2)C1 1888890265 XZNXWZGHSADVIM-LBPRGKRZSA-N 404.396 3.321 0 40 HGAB O=C(CN1CCN(Cc2c(F)cccc2Cl)CC1)N1CCc2ccccc2C1 23333152 YXFHYGFTBCINNR-UHFFFAOYSA-N 401.913 3.182 0 40 HGAB COc1cccc(CN2CCO[C@]3(CCCCN(c4ccccc4)C3=O)C2)c1OC 2037983719 DAKXMMBREBTGKU-XMMPIXPASA-N 410.514 3.492 0 40 HGAB Cc1cc(NC(=O)CSc2nc(O)c3cnn(-c4ccc(Cl)cc4)c3n2)no1 2717867 OHYGKNQRWIRLLW-UHFFFAOYSA-N 416.850 3.202 0 40 HGAB COc1ccc(OC)c2[nH]c(=O)c(CCNC(=O)C34CC5CC(CC(C5)C3)C4)cc12 4032812 DMVNIYJZQSZFSQ-UHFFFAOYSA-N 410.514 3.420 0 40 HGAB O=C(CSc1ncnc2c1nnn2-c1ccc(F)cc1)N1CCc2ccccc21 4166654 HLMVKNHMEGHXER-UHFFFAOYSA-N 406.446 3.031 0 40 HGAB COc1ccc(NC(=O)CSc2nccn(-c3ccc(C)cc3)c2=O)cc1OC 9320482 DUDATNAPRNAOTM-UHFFFAOYSA-N 411.483 3.289 0 40 HGAB Cc1ccc(C(=O)Nc2ccc(SCC(=O)Nc3ccc4c(c3)OCO4)nn2)cc1 13701650 HITAIKNCJBIEOU-UHFFFAOYSA-N 422.466 3.497 0 40 HGAB COCC(=O)N1CCCc2ccc(NS(=O)(=O)c3ccc(Cl)s3)cc21 21756823 SPAMTPMXNYNEPD-UHFFFAOYSA-N 400.909 3.128 0 40 HGAB CC(=O)Nc1ccc(S(=O)(=O)NCC2(c3cccs3)CCOCC2)c(C)c1 23238681 SOROIGUXFUJNPB-UHFFFAOYSA-N 408.545 3.042 0 40 HGAB CCCn1c(=O)c2sccc2n2c(CCC(=O)NC[C@H](C)c3ccccc3)nnc12 35528693 LQWQEQBSWHCGAY-HNNXBMFYSA-N 423.542 3.368 0 40 HGAB Cc1c(Cl)cccc1S(=O)(=O)N1CC[C@@H](Oc2cnc3ccccc3n2)C1 618254566 BAVMIMCURYGTSR-CQSZACIVSA-N 403.891 3.434 0 40 HGAB COC(=O)[C@](NNc1ccccc1)(c1c(C)nn(-c2ccccc2)c1O)C(F)(F)F 104298995 DIVMMEGVAWELEI-LJQANCHMSA-N 420.391 3.434 0 40 HGAB Cc1cccc(N2CCN(C(=O)c3ccc(N4C[C@@H](C)O[C@H](C)C4)nc3)CC2)c1C 30040398 NVVGOMAVWCNELU-RTBURBONSA-N 408.546 3.274 0 40 HGAB Cc1nc(-c2c(C)c(C)nn(C)c2=O)sc1C(=O)NCCSC1CCCC1 40091075 WXNQUDSKBCKRHD-UHFFFAOYSA-N 406.577 3.235 0 40 HGAB O=C1CSc2ccc(C(=O)NCc3nn(-c4ccccc4)c4c3CCC4)cc2N1 40155976 MWRLUVBULQKZPR-UHFFFAOYSA-N 404.495 3.335 0 40 HGAB Cc1ccc(-n2c(SCC(=O)N[C@@H]3CCCCNC3=O)nc3ccccc32)cc1 40127184 FFPPIXKBUGUFPR-GOSISDBHSA-N 408.527 3.211 0 40 HGAB CC(C)OC(=O)C[C@H](NC(=O)[C@@H](C)S(=O)(=O)c1ccc(F)cc1)c1ccccc1 40146597 HEYINDRAQDPDCL-BEFAXECRSA-N 421.490 3.187 0 40 HGAB COc1ccc(OCC(=O)Nc2ccccc2N2CCN(C(=O)C(C)C)CC2)cc1 812038 HUJFZDGAEKAMBX-UHFFFAOYSA-N 411.502 3.017 0 40 HGAB CCOC(=O)c1ccccc1-n1cc2c(c1-c1cccc(C)c1)c(=O)n(C)c(=O)n2C 2420062 RQLZGETWVBQTSQ-UHFFFAOYSA-N 417.465 3.180 0 40 HGAB CN(C)S(=O)(=O)c1ccc(NC(=O)CSc2nc3ccc(Cl)cc3[nH]2)cc1 2622616 GUNOUGAFPSDAHZ-UHFFFAOYSA-N 424.935 3.197 0 40 HGAB Cc1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1 3610200 OPCMIJOGNNTXAM-MRXNPFEDSA-N 402.516 3.433 0 40 HGAB CCn1c(=O)c2c(nc3n(-c4ccc(Oc5ccccc5)cc4)c(C)cn23)n(C)c1=O 4250688 DAABJMZUCDJWNL-UHFFFAOYSA-N 415.453 3.259 0 40 HGAB Cc1cc(C)cc(NC(=O)CN2N=N[C@H]3C(=O)N(c4ccc(C(C)C)cc4)C(=O)[C@H]32)c1 4483855 NPFMXYGODPVCEH-RTWAWAEBSA-N 419.485 3.359 0 40 HGAB CCC(=O)Nc1ccc(C(=O)CN2C(=O)N[C@@](CC)(c3ccc(F)cc3)C2=O)cc1 4514108 FDGPGRDCKPASQB-QFIPXVFZSA-N 411.433 3.214 0 40 HGAB Cc1ccc(OCc2nnc(S[C@@H](C)C(=O)Nc3nnc(C)s3)n2C)c(C)c1 4736438 RPLOFLCIKDRDFQ-LBPRGKRZSA-N 418.548 3.290 0 40 HGAB Cc1occc1-c1nnc(SCC(=O)N2CCC[C@H](C)C2)n1C[C@H]1CCCO1 4860255 WEMOYMPDRWJFCW-GOEBONIOSA-N 404.536 3.376 0 40 HGAB Cc1c(Cl)cccc1-n1c(-c2ccccc2)cn2c3c(=O)[nH]c(=O)n(C)c3nc12 5076514 HXUNRTVPUXMJTH-UHFFFAOYSA-N 405.845 3.294 0 40 HGAB O=C(COC(=O)c1ccccc1OCc1ccccc1Cl)NC[C@@H]1CCCO1 5506317 WJYYPFLLHIHTKM-INIZCTEOSA-N 403.862 3.371 0 40 HGAB Cc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc2)cc1 5601953 CMIMUZHNHLPFLP-IRXDYDNUSA-N 422.572 3.462 0 40 HGAB CC(C)OC(=O)c1cc(NC(=S)NC[C@H]2CCCO2)cc(C(=O)OC(C)C)c1 6239036 YDQQDNBAIFHPFO-QGZVFWFLSA-N 408.520 3.282 0 40 HGAB CC(C)CNS(=O)(=O)c1ccc(OCC(=O)NC2CCCCC2)c(Cl)c1 6326615 WKZFEJMSPODADW-UHFFFAOYSA-N 402.944 3.102 0 40 HGAB C[C@@H](Sc1nc(C2CC2)n(-c2ccccc2)n1)C(=O)Nc1ccc(C(N)=O)cc1 6549709 RATKFRJWRBUXAR-CYBMUJFWSA-N 407.499 3.363 0 40 HGAB O=S(=O)(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc2ccccc2c1 6858710 RPWPEEFMHGGNSD-UHFFFAOYSA-N 416.524 3.425 0 40 HGAB C[C@H]1CCc2c(sc3ncn(CC(=O)NCCCN(C)c4ccccc4)c(=O)c23)C1 7229156 SPLGCXNXCQZXKD-INIZCTEOSA-N 424.570 3.226 0 40 HGAB C[C@@H](NC(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)c1cc2ccccc2o1 7278942 JPZPMTQKWOYGOX-QKFKETGDSA-N 403.438 3.004 0 40 HGAB COc1cc(CNCCCSc2nnnn2C)ccc1OCc1ccccc1F 7541465 ZJWLJUSHZYRDIT-UHFFFAOYSA-N 417.510 3.209 0 40 HGAB C[C@@H](C(=O)NCCSC1CCCCC1)N(c1ccc(F)cc1)S(C)(=O)=O 7872049 KIOAGORJTVSMTI-AWEZNQCLSA-N 402.557 3.162 0 40 HGAB CCCCOC(=O)c1ccc(N2C[C@@H](C(=O)OCC(=O)c3ccccc3)CC2=O)cc1 7881384 KYCJGGSHNKTOBO-IBGZPJMESA-N 423.465 3.423 0 40 HGAB CC(=O)N1C[C@H](C(=O)Nc2ccccc2C(=O)N2CCCCC2)Oc2ccccc21 7990230 WPJAYWPLDSTZEM-OAQYLSRUSA-N 407.470 3.065 0 40 HGAB C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)c1cc(C2CC2)nn1-c1ccccc1 8733738 FDMLWMABWVLYRA-HNNXBMFYSA-N 424.526 3.230 0 40 HGAB O=C(COc1ccc(S(=O)(=O)N2CCCCCC2)cc1)NC1CCCCCC1 9227792 NEYALPQUBVYHNW-UHFFFAOYSA-N 408.564 3.469 0 40 HGAB CCn1c(COc2ccccc2C)nnc1SCC(=O)Nc1nnc(C)s1 9328487 VZBMZERNBICGSU-UHFFFAOYSA-N 404.521 3.076 0 40 HGAB Cc1cc(CSc2nnc(-c3cccc(S(=O)(=O)N4CCCCC4)c3)o2)on1 9548636 LOTBQWOZCGUGOQ-UHFFFAOYSA-N 420.516 3.500 0 40 HGAB C[C@@H](NC(=O)CN1C(=O)C(=O)N(Cc2cccs2)C1=O)c1cccc2ccccc12 9751626 QGLOZSWYARZVFI-CQSZACIVSA-N 421.478 3.070 0 40 HGAB Cc1cc(NC(=O)COc2ccc(Cl)cc2C(N)=O)n(-c2ccc(F)cc2)n1 11190206 XNJCQWHBCAUTIH-UHFFFAOYSA-N 402.813 3.090 0 40 HGAB O=C(Nc1cccc(S(=O)(=O)NCc2ccco2)c1)c1cnn(-c2ccccc2)c1 11358129 VGVXJJATZQRCRY-UHFFFAOYSA-N 422.466 3.196 0 40 HGAB CCOc1ccc2nc(NS(=O)(=O)c3ccc(OC)c(NC(C)=O)c3)sc2c1 11615547 GWUASEMKQOVTFP-UHFFFAOYSA-N 421.500 3.463 0 40 HGAB O=C(NCCCn1nc(-c2cccnc2)ccc1=O)c1ccc(C(F)(F)F)cc1 11745433 BQVNHVWDDJYDKM-UHFFFAOYSA-N 402.376 3.144 0 40 HGAB O=C(NCCNc1ccc(Nc2cccnc2)nn1)c1ccccc1C(F)(F)F 11796950 XWBDLENNMISLQK-UHFFFAOYSA-N 402.380 3.476 0 40 HGAB Cc1nc(C)n([C@H](C)CNC(=O)Cn2c(-c3ccc(F)cc3)cc3cccnc32)n1 12144027 PXVQYGUORBQLCF-CQSZACIVSA-N 406.465 3.428 0 40 HGAB CCc1ccc(C(=O)CSc2nnc(N3CCOCC3)n2Cc2ccco2)cc1 12216579 CWKSWEWDBPVGML-UHFFFAOYSA-N 412.515 3.293 0 40 HGAB CCOC(=O)c1ccccc1NC(=O)CNc1ccc(C(=O)NCC(F)(F)F)cc1 12546094 QKQBAAJBOWKJKA-UHFFFAOYSA-N 423.391 3.206 0 40 HGAB O=S(=O)(c1cccc(F)c1)N1CCN(Cc2ccc(Br)s2)CC1 12747926 VADUIFSZTRQRBS-UHFFFAOYSA-N 419.341 3.156 0 40 HGAB CSc1ccc(N2C[C@@H](C(=O)Nc3cc(NC(C)=O)ccc3F)CC2=O)cc1 12852866 BDAYTEMISSMTEC-ZDUSSCGKSA-N 401.463 3.498 0 40 HGAB CC[C@@H](C)[C@@H](CO)NC(=O)[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(C)C 13727985 DQVCUIMSLAVQPE-AAIMPIBUSA-N 410.558 3.483 0 40 HGAB Cc1ccc(C)c(N(CCCC(=O)Nc2ccc(C(=O)O)cc2)S(C)(=O)=O)c1 14399203 OEWNMWKNDXNJHT-UHFFFAOYSA-N 404.488 3.187 0 40 HGAB CCCc1nn2c(=O)cc(COC(=O)c3ccccc3Br)nc2s1 15734249 VSMYOLJNTHSZHC-UHFFFAOYSA-N 408.277 3.223 0 40 HGAB CCS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)c3ccc(Cl)s3)cc21 15781503 PHGKGBXUXJJLTG-UHFFFAOYSA-N 420.965 3.305 0 40 HGAB C[C@@H]1CS(=O)(=O)N(c2ccc(C(=O)Nc3ccccc3Br)cc2)C1=O 15843035 BRYDMDIFEZORLL-LLVKDONJSA-N 423.288 3.014 0 40 HGAB CN(CC(=O)NCc1ccc(Cl)cc1)S(=O)(=O)c1ccc2ccccc2c1 16187911 MYYMNPZYRWRMTQ-UHFFFAOYSA-N 402.903 3.430 0 40 HGAB O=C([C@H]1CN(C(=O)c2cc(Cl)cc(Cl)c2)c2ccccc2O1)N1CCOCC1 16964322 OXDPUJMAAOXVHX-GOSISDBHSA-N 421.280 3.260 0 40 HGAB Cc1cc(C)c(NC(=O)C(=O)NCCCN2CCO[C@H](c3ccccc3)C2)c(C)c1 16993960 BAQLRTNNSUDXBW-NRFANRHFSA-N 409.530 3.130 0 40 HGAB Cc1nc(C[C@@H](NC(=O)c2nccc3ccccc23)c2ccc(F)cc2)cc(=O)[nH]1 19285373 FUUKSDHRWDVCBD-HXUWFJFHSA-N 402.429 3.479 0 40 HGAB COc1ccc(-c2nn3c(O)cc(Cn4c(=O)n(C)c5ccccc54)nc3c2C)cc1 19557525 WNGWPVQTHOTCCZ-UHFFFAOYSA-N 415.453 3.121 0 40 HGAB CNC(=O)[C@]1(Cc2ccccc2-c2ccccc2)CCN(C(=O)CCn2cccn2)C1 19591455 BRAPAVNGPMZALE-VWLOTQADSA-N 416.525 3.148 0 40 HGAB Cc1cnc(C(=O)N2CCC(c3nc(N(C)C)ncc3-c3ccccc3F)CC2)cn1 19695120 ORQLRQLSTSHHNV-UHFFFAOYSA-N 420.492 3.467 0 40 HGAB O=C(c1cn2cccnc2n1)N1CC[C@@H](c2cc(COc3ccccc3Cl)[nH]n2)C1 19704327 IEEZGDHJBZLYON-CQSZACIVSA-N 422.876 3.315 0 40 HGAB CN(C)S(=O)(=O)c1ccc(CNC(=O)c2noc3c2C[C@@H](C(C)(C)C)CC3)cc1 19716502 IMRTZLIFKBUAMJ-HNNXBMFYSA-N 419.547 3.006 0 40 HGAB COc1ccc(CC(=O)N2CCC[C@H]2c2c(CN(C)C)cnc3cc(C)nn23)cc1 19743538 GSONCIAWGCBJRV-FQEVSTJZSA-N 407.518 3.014 0 40 HGAB CCCS(=O)(=O)N1CCN(Cc2ccc(OC)c(OCc3ccccc3)c2)CC1 19890044 RNXFLBIJMMBSNH-UHFFFAOYSA-N 418.559 3.132 0 40 HGAB COc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H]2CCCc3ccccc32)cc1Cl 20013960 NRLGTTYSMQQATI-GOSISDBHSA-N 422.934 3.163 0 40 HGAB COc1ccc(S(=O)(=O)NC23CC4CC(CC(C4)C2)C3)cc1N1CCCC1=O 20041192 OWOYNWZXSQMQMF-UHFFFAOYSA-N 404.532 3.069 0 40 HGAB O=C1c2oc3ccc(F)cc3c(=O)c2[C@H](c2ccccc2)N1CCCN1CCOCC1 20308631 YJDISXNDDMNZAR-NRFANRHFSA-N 422.456 3.200 0 40 HGAB O=C(Nc1cccc2ccccc12)c1ccc(CS(=O)(=O)N2CCOCC2)cc1 20456086 HJNIQZPFIAIAME-UHFFFAOYSA-N 410.495 3.254 0 40 HGAB CC[C@@H](NC(=O)[C@H]1CN(S(=O)(=O)CC)c2ccccc2O1)c1ccc(C)cc1 20490346 WYKDVTIWLPARSO-YLJYHZDGSA-N 402.516 3.180 0 40 HGAB O=C(CN1c2ccc(Br)cc2-c2ccccc2S1(=O)=O)N1CCCC1 21176721 HDMKQWSGZFRMGK-UHFFFAOYSA-N 421.316 3.247 0 40 HGAB CC[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)c1ccc(OC)cc1 21837545 DYAVZMGLYYXXHY-HXUWFJFHSA-N 402.516 3.361 0 40 HGAB C[C@H](OC(=O)c1csc(-c2ccsc2)n1)C(=O)Nc1sccc1C(N)=O 21998767 LUZDOXGKYNXHLK-QMMMGPOBSA-N 407.498 3.216 0 40 HGAB CCN(CC)[C@@H](CNC(=O)c1cc(S(N)(=O)=O)ccc1C)c1ccccc1Cl 22681900 WSOFBNAHQWJSDJ-IBGZPJMESA-N 423.966 3.109 0 40 HGAB COc1cc(OC)c(OC)cc1CNCc1cc(Br)c2c(c1)OCO2 22793493 VFYAILMJFWKXNB-UHFFFAOYSA-N 410.264 3.493 0 40 HGAB Cc1cccc(NC(=O)C[C@H]2C(=O)N(C[C@@H]3CCCO3)c3nc4ccccc4n32)c1 23382126 SNZBZXDODVTAOT-PXNSSMCTSA-N 404.470 3.440 0 40 HGAB C[C@H](NC(=O)c1cccc(CN2C(=O)CNC2=O)c1)c1cccc(C(F)(F)F)c1 25446511 BYLCEKXSEKSGAS-LBPRGKRZSA-N 405.376 3.248 0 40 HGAB Cc1ccc([C@H](CNC(=O)COc2cc(C)c(Cl)c(C)c2)N2CCN(C)CC2)o1 28405135 FOEPINCQCSOGFI-IBGZPJMESA-N 419.953 3.342 0 40 HGAB CC(C)C(=O)NCCNC(=O)c1ccccc1C(=O)c1ccc(Br)cc1 29671390 BEZQXZOAFYXXAD-UHFFFAOYSA-N 417.303 3.182 0 40 HGAB CS(=O)(=O)Nc1cccc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)c1 29797869 DFDMCVKDPZOERI-SFHVURJKSA-N 416.499 3.197 0 40 HGAB CC1=C[C@@H](CNC(=O)c2cnccn2)[C@H](C(C)C)C[C@H]1CC(=O)NCc1ccccn1 30881119 IPNXDCXCLGNZGG-ZJOUEHCJSA-N 421.545 3.163 0 40 HGAB biogenic,in-vitro COc1ccc(NC(=O)C[C@H](C)NC[C@@H](c2cccs2)N2CCOCC2)cc1 32740375 LGGVVJFQBVNWIW-LPHOPBHVSA-N 403.548 3.137 0 40 HGAB Cc1ccccc1Nc1nc(N)nc(COC(=O)Cc2coc(-c3ccccc3)n2)n1 32837704 NSACXHYNYUMNFU-UHFFFAOYSA-N 416.441 3.447 0 40 HGAB CC(C)CN(CC(F)(F)F)C(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 32925917 PLWIHDSWHKDEBU-UHFFFAOYSA-N 406.470 3.134 0 40 HGAB Cc1ccc(C)c2c(=O)cc(CSCC(=O)NCc3ccc4c(c3)OCO4)[nH]c12 33064110 XVZIBHTYRRJJKQ-UHFFFAOYSA-N 410.495 3.423 0 40 HGAB C[C@H]1CCCC[C@@H]1NC(=O)CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O 33654414 UVUPKLKQLGMVLL-PXNSSMCTSA-N 405.498 3.177 0 40 HGAB CCOC(=O)CNC1(c2nnnn2-c2c(C)cccc2CC)C2CC3CC(C2)CC1C3 35170782 ZMJWRWVJYKSDLX-UHFFFAOYSA-N 423.561 3.337 0 40 HGAB CCCN1CCCc2cc(CCNS(=O)(=O)c3ccc(OC)c(OC)c3)ccc21 35588099 WMJQQNNJIJQABQ-UHFFFAOYSA-N 418.559 3.387 0 40 HGAB C[C@@H]1CN(Cc2ccc(C(=O)N[C@@H]3CCN(Cc4ccccc4)C3)cc2)C[C@@H](C)O1 36395393 YFRVCXMULMTCAR-YOSAUDMPSA-N 407.558 3.300 0 40 HGAB COc1ccc(CCNC(=O)[C@@H](C)N2CCC[C@H](C(=O)Nc3ccccc3)C2)cc1 40018039 ZATLQMOVZNBWCC-QUCCMNQESA-N 409.530 3.093 0 40 HGAB NC(=O)CCSc1nnc(CN2CCCCC2)n1-c1ccccc1C(F)(F)F 45866244 ONKFMDJQDXICDH-UHFFFAOYSA-N 413.469 3.240 0 40 HGAB CC(=O)NCCc1ccc(C(=O)N[C@H]2CC3(CCN(C)CC3)Oc3ccccc32)cc1 48303886 XNBLSGIVHBWNPB-QFIPXVFZSA-N 421.541 3.083 0 40 HGAB COc1ccc(C2=CCN(CC(=O)NC[C@@H]3CCN(c4ccccc4)C3)CC2)cc1 51915890 JNHZELAZKJPERL-FQEVSTJZSA-N 405.542 3.427 0 40 HGAB COCCn1c(SCC(=O)Nc2ccc(F)c(F)c2)nc2ccsc2c1=O 57425862 AWQAHSFSNACECW-UHFFFAOYSA-N 411.455 3.113 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccc(Cl)cc3)C2)cc1 64670586 NSXRRYWNEXVQRQ-KRWDZBQOSA-N 406.935 3.366 0 40 HGAB CCCN1CCC2(CC1)OC[C@@H](C(=O)O)N2C(=O)c1cc(Cl)cc(Cl)c1 71980365 DJZDOYUNUKYGAW-HNNXBMFYSA-N 401.290 3.121 0 40 HGAB Cn1cc(-c2ccncc2)c(-c2cccc(CNC(=O)COC[C@H]3CCCCO3)c2)n1 72344992 YLCKUCBTUOPATR-OAQYLSRUSA-N 420.513 3.351 0 40 HGAB COc1cccc(C(=O)N2CCc3nc(C(=O)Nc4cccnc4)sc3CC2)c1 96146918 DKSYOHANZFAQGO-UHFFFAOYSA-N 408.483 3.040 0 40 HGAB O=S(=O)(N1CCCC1)N1[C@H]2CC[C@@H](C2)[C@@H]1COc1cccc(C(F)(F)F)c1 100112799 PMERYZRFVXHACU-QRTARXTBSA-N 404.454 3.278 0 40 HGAB CCOC(=O)[C@H](C(N)=O)c1nc2ccccc2nc1/C=C(\O)c1ccc(C)cc1C 100211393 FPWIYMRHVAYVBR-CBXNMNPBSA-N 405.454 3.435 0 40 HGAB O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@H]2C1=O)Nc1cc(C(F)(F)F)ccc1Cl 101014977 KPVZEGGTGDZPLT-CPCNMJHFSA-N 424.806 3.350 0 40 HGAB CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](C)OC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)cc1 102445659 RHNVDIDQZIJJOC-LUKYLMHMSA-N 422.547 3.070 0 40 HGAB CCOc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)cc1 104128686 SOPLRAAYGYBAMZ-KRWDZBQOSA-N 410.470 3.237 0 40 HGAB C[C@H](C(=O)NCc1ccccc1)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O 113940415 LTIIFULGIFNMTN-GFCCVEGCSA-N 401.315 3.464 0 40 HGAB CC[C@@H](C(=O)N[C@@H](C)c1ccc(OC)cc1)N(c1ccccc1F)S(C)(=O)=O 113967807 BXTAMBVYTOYKEX-KSSFIOAISA-N 408.495 3.256 0 40 HGAB CCSc1nnc(NS(=O)(=O)c2cc(Br)ccc2OC)s1 224178880 MUXUCHSXLWYBIZ-UHFFFAOYSA-N 410.340 3.222 0 40 HGAB CC(C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCc1ccc2c(c1)OCO2 225697525 JCLXPQSSCKHWCR-SFHVURJKSA-N 410.514 3.332 0 40 HGAB CCC[C@H](C)[C@@]1(CC)C(=O)N=C(SCC(=O)Nc2ccc(OC)cc2)NC1=O 226819689 IOPIGLABKLPIMT-ZDUSSCGKSA-N 405.520 3.212 0 40 HGAB O=C(O)[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc2c3c(cccc13)CC2 226861309 TWEJQRWOLCELMU-FQEVSTJZSA-N 420.490 3.394 0 40 HGAB CN1CCN(Cc2ccccn2)C[C@@H]1c1nnn2cc(-c3cccc(F)c3)ccc12 306128888 HNTRAJRNQIBZBH-JOCHJYFZSA-N 402.477 3.419 0 40 HGAB CN(C)S(=O)(=O)c1ccc(C(=O)NCCc2ccc(-c3ccoc3)s2)cc1 390830206 JMTVPKGLSBXBNC-UHFFFAOYSA-N 404.513 3.231 0 40 HGAB O=C(Cn1cc(C(=O)C(=O)N2CCCCC2)c2ccccc21)NCc1ccccc1 408565455 BXKNWTKTRGQVSX-UHFFFAOYSA-N 403.482 3.153 0 40 HGAB CC1CCN(C(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Cl)cc2)CC1 408592278 KYEJQCQUFOWBJT-HXUWFJFHSA-N 420.962 3.488 0 40 HGAB CC(C)CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)Nc2c(F)cccc2F)cc1 408601774 HFIAUYSHBUVSGR-CYBMUJFWSA-N 412.458 3.305 0 40 HGAB CNC(=O)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 408614873 JCEHIZHODMICNP-LBPRGKRZSA-N 405.376 3.057 0 40 HGAB COc1ccc([C@H]2[C@@H](NC(=O)c3cccc(C)c3)C(=O)N/[N+]2=C\c2ccccc2)cc1 409055321 DVIADEMLQWEBPA-AYHYUOJHSA-O 414.485 3.020 0 40 HGAB COC(=O)[C@H](C)N1C(=O)S/C(=C/c2c(OC)ccc3ccc(OC)cc23)C1=O 409108499 USAWLWHZAPNRAR-MUOOZZNISA-N 401.440 3.455 0 40 HGAB CC[C@H](C)NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1cc(C)ccc1OC 409389141 MLDMQLBNHUJXQW-KRWDZBQOSA-N 404.532 3.422 0 40 HGAB O=C(c1c(-n2cnnn2)sc2c1CCC2)N1CCC[C@H]1c1nc2ccccc2[nH]1 524734412 CCAXGXADSOWANO-HNNXBMFYSA-N 405.487 3.066 0 40 HGAB Cc1nc(-c2ncccn2)nc(O)c1CC(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 546921443 ZGYOJTRDBUPGGS-AWEZNQCLSA-N 403.486 3.246 0 40 HGAB C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@H]2CC[C@]2(C)[C@@H](c3ccc(=O)oc3)[C@@H](O)[C@H]3O[C@]132 584578889 IXZHDDUFQVXHIL-HNNHQMBSSA-N 400.515 3.229 0 40 HGAB Cc1cccnc1Nc1cc(C[C@@H]2CCCN(C(=O)/C=C/c3ccnn3C)C2)ncn1 585291561 DHMVOVQDZAVOSU-DVBCCOPCSA-N 417.517 3.152 0 40 HGAB O=C1NC(=O)[C@](Br)(Cc2ccccc2)C(=O)N1c1ccc(Cl)cc1 1534823943 UHLLGFVKKFZLDX-QGZVFWFLSA-N 407.651 3.299 0 40 HGAB O[C@H]1CCN(Cc2ccccn2)CCCCCc2cc(Cl)ccc2OC[C@H]1O 1615157224 CTBDBNNRCBMRNM-LEWJYISDSA-N 404.938 3.454 0 40 HGAB O=C(c1cc2c(Br)cccc2cn1)N1CCC(c2nnc(O)o2)CC1 1636417997 RPWCAGAZUIJHLV-UHFFFAOYSA-N 403.236 3.106 0 40 HGAB O=C(c1cnc2ccccc2n1)N1CCC(n2nc(-c3ccccc3)ccc2=O)CC1 1775971431 RNSMZCOAWXPTHL-UHFFFAOYSA-N 411.465 3.331 0 40 HGAB CC(C)(C)c1ccc(=O)n(C2CCN(C(=O)COc3ccccc3Cl)CC2)n1 1775995393 SHNGVTWEKKBYAJ-UHFFFAOYSA-N 403.910 3.437 0 40 HGAB CCOC(=O)N1CCC(Nc2ncncc2-c2nc(-c3cccs3)no2)CC1 1888962013 YTOYZGGVUQWZGG-UHFFFAOYSA-N 400.464 3.288 0 40 HGAB CCOC(=O)c1c(NC(=O)c2ccc(N3C(=O)CCC3=O)cc2)sc2c1CCC2 1305355 LLCLTYOTKXSQIK-UHFFFAOYSA-N 412.467 3.319 0 40 HGAB COC(=O)[C@@](NC(=O)c1cccc(Cl)c1)(Nc1ncc(C)s1)C(F)(F)F 2348314 MBPOIUHGUCSIEF-CQSZACIVSA-N 407.801 3.378 0 40 HGAB COCCn1c(N)c(S(=O)(=O)c2cc(C)ccc2C)c2nc3ccccc3nc21 2410863 TVJFUFCOTNVQAG-UHFFFAOYSA-N 410.499 3.263 0 40 HGAB COc1ccc2c(c1)c1ncnc(N3CCN(c4ccccc4OC)CC3)c1n2C 2432038 XKIJUKDCHVYARE-UHFFFAOYSA-N 403.486 3.465 0 40 HGAB COc1cc(NC(=O)c2ccco2)c(C(=O)OCC(=O)Nc2ccccc2)cc1OC 3322577 QSVBPWWIMUBSKR-UHFFFAOYSA-N 424.409 3.345 0 40 HGAB COc1cc(CC[C@@H](O)C[C@@H]2c3c(cc4c(c3OC)OCO4)CCN2C)ccc1O 4038160 YFGLNZHQZLOTLC-IAGOWNOFSA-N 415.486 3.051 0 40 HGAB biogenic Cc1c(Cc2ccccc2)c(=O)oc2cc(OCC(=O)N3CCC[C@@H]3C(=O)O)ccc12 4064125 ZXKZWCICKGRYPF-HXUWFJFHSA-N 421.449 3.147 0 40 HGAB biogenic CC1(C)[C@H]2CC[C@]1(C)c1nc(SCC(=O)c3ccc4c(c3)NC(=O)CO4)nnc12 5060008 JLJFHXCGHOWWQV-LAJNKCICSA-N 410.499 3.352 0 40 HGAB Cc1cc(O[C@H](C)C(=O)NC[C@@H](O)c2ccccc2)c2c3c(c(=O)oc2c1)CCC3 6658620 KLSDFGHAPZVLFV-DNVCBOLYSA-N 407.466 3.207 0 40 HGAB O=C(CN1C(=O)S/C(=C\C=C\c2ccccc2)C1=O)Nc1cccc2nonc12 6660909 ZQAFHKGNCQVKJA-MAHQCVNESA-N 406.423 3.454 0 40 HGAB O=C(Nc1nnc(S(=O)(=O)N2CCCCCC2)s1)c1ccccc1Cl 6818007 GLCYZPLMCFAEIQ-UHFFFAOYSA-N 400.913 3.009 0 40 HGAB CCN(c1ccc(C)cc1)S(=O)(=O)c1nnc(NC(=O)c2cccs2)s1 6818350 IBDUJAKGUYOSGI-UHFFFAOYSA-N 408.530 3.376 0 40 HGAB COC(=O)c1ccc(NS(=O)(=O)c2cc(Br)ccc2OC)cc1 7053838 KHOAQIMMRHWXKR-UHFFFAOYSA-N 400.250 3.045 0 40 HGAB CC(=O)NCc1ccc(C(=O)CSc2nnc(NCc3ccco3)s2)s1 7162001 DBPNVCKMGPTPAY-UHFFFAOYSA-N 408.530 3.416 0 40 HGAB O=C(Cn1ncc(=O)c2ccccc21)N1CCC[C@H](c2nc3ccccc3s2)C1 7245649 ONSBRXFLOGFJLM-HNNXBMFYSA-N 404.495 3.412 0 40 HGAB CN(CCSc1ccc(F)cc1)CC(=O)Nc1ccc(N2CCOCC2)cc1 7360206 SFXMBPFNYJKGDR-UHFFFAOYSA-N 403.523 3.325 0 40 HGAB COc1ccc(Nc2nc(Nc3ccc(OC)cc3)nc(N[C@H](C)C(=O)O)n2)cc1 7498920 ADSZBQJHJGFLEB-GFCCVEGCSA-N 410.434 3.261 0 40 HGAB CCS(=O)(=O)c1ccccc1C(=O)O[C@H](C)C(=O)c1[nH]c(C)c(C(C)=O)c1C 7853981 IQIGBGUIJXSZKI-CQSZACIVSA-N 405.472 3.056 0 40 HGAB CC(C)[C@H](NC(=O)CSc1nnc(C2CC2)n1C)c1ccc2c(c1)OCCO2 8327879 MZXODUGHFNFYFC-SFHVURJKSA-N 402.520 3.069 0 40 HGAB C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1nnc(NC(=O)c2cccc(F)c2)s1 8588129 OWKXTIUTXAZQLD-LLVKDONJSA-N 418.475 3.069 0 40 HGAB C[C@H]1Sc2ccc(C(=O)OCC(=O)NCc3cccc(Cl)c3)cc2NC1=O 8713428 NKCKZPNNAICBFO-LLVKDONJSA-N 404.875 3.246 0 40 HGAB O=c1c([C@H]2NCCc3c2[nH]c2ccccc32)c(O)nc(O)n1CCC1=CCCCC1 8742613 QVNIXGQJSFDVFX-HXUWFJFHSA-N 406.486 3.261 0 40 HGAB biogenic O=C(CN1C(=O)CC2(CCCC2)C1=O)N[C@@H](c1ccc(F)cc1)c1cccs1 8923018 WOCSTGYYRUHQNP-IBGZPJMESA-N 400.475 3.412 0 40 HGAB CCn1c(=O)c(=O)[nH]c2cc(C(=O)Nc3ncc(Cc4ccccc4)s3)ccc21 9914633 BSNMXHPSSYJWST-UHFFFAOYSA-N 406.467 3.009 0 40 HGAB COc1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2N)cc1OC 10186301 YYGYJKKOOKDGRR-UHFFFAOYSA-N 419.894 3.060 0 40 HGAB CN(C)CCNc1nc(-c2ccncc2)nc2c1CCN(Cc1ccccc1F)C2 12123275 JLDIZMHVJSSEOJ-UHFFFAOYSA-N 406.509 3.210 0 40 HGAB CC(=O)N1CCCc2cc([C@H](O)CN3CCC(O)(c4cccc(C)c4)CC3)ccc21 12326561 UVRLYJQWDCYCBN-XMMPIXPASA-N 408.542 3.311 0 40 HGAB COc1cc2ccccc2cc1C(=O)N1CCN(CC(=O)Nc2cccc(F)c2)CC1 12767402 ZACIKLOJLQALCF-UHFFFAOYSA-N 421.472 3.384 0 40 HGAB COc1cc2c(cc1OC)CN(C(=O)COc1cc(C)cc3oc(=O)cc(C)c13)CC2 12897960 FXBNSWMSBQQINL-UHFFFAOYSA-N 423.465 3.391 0 40 HGAB biogenic Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 12949190 HLVMNDZOVSEUOB-ZDUSSCGKSA-N 411.483 3.168 0 40 HGAB COC(=O)c1ccc(CN(C)C(=O)C(=O)c2c(C)nn(-c3ccccc3)c2C)cc1 13018288 XRVLQMCAWKECBC-UHFFFAOYSA-N 405.454 3.117 0 40 HGAB COc1ccc(N(CC(=O)NCCC(C)C)S(=O)(=O)c2ccc(C)cc2)cc1 14413116 GNWPDCOYQGLHDE-UHFFFAOYSA-N 404.532 3.361 0 40 HGAB CCCN1C(C)=NS(=O)(=O)c2cc(C(=O)Nc3ccc(OC)cc3OC)ccc21 15867581 NJPDQEOQRVHQEM-UHFFFAOYSA-N 417.487 3.293 0 40 HGAB Cc1ccc(Cc2nn3c(SCC(=O)Nc4ccccc4C)nnc3nc2O)cc1 15882058 UCCJJVUTAULJQK-UHFFFAOYSA-N 420.498 3.163 0 40 HGAB CCS(=O)(=O)N1CCCc2ccc(NC(=O)CCc3ccc(OC)cc3)cc21 17316176 JMQGMFBIDSRKHI-UHFFFAOYSA-N 402.516 3.369 0 40 HGAB O=C(CC[C@@]1(c2ccccc2)NC(=O)NC1=O)Nc1ccc(N2CCCCC2)c(F)c1 19369693 PBOGBHXZEAKKQL-QHCPKHFHSA-N 424.476 3.270 0 40 HGAB CCN1C(=O)c2ccccc2C(=O)[C@@]2(C)CN(Cc3cc(OC)ccc3OC)C[C@@H]12 19528283 LICHZWVZGJMVOG-QPPBQGQZSA-N 408.498 3.253 0 40 HGAB CNc1cc(CNC(=O)[C@@H](c2ccccc2)N2CCCC2)nc(-c2cccnc2)n1 19592240 RDZYYOIHCMWBGG-OAQYLSRUSA-N 402.502 3.034 0 40 HGAB CCC(=O)N1CC[C@H](c2nc(C)c3c(n2)N(CCc2ccccc2F)C(=O)CC3)C1 19739166 FLOKVAICHYAFOC-KRWDZBQOSA-N 410.493 3.172 0 40 HGAB Cc1noc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3C(=O)O)cc2)c1C 20470327 VNIBSSFGBSZGEN-UHFFFAOYSA-N 415.427 3.043 0 40 HGAB N=C(O)C1CCN(C(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)CC1 21873988 SQXORTGTHGZWSB-UHFFFAOYSA-N 405.451 3.014 0 40 HGAB Cc1cccc(C)c1NC(=O)CN1CCN(CCC(=O)Nc2ccccc2F)CC1 22934246 HYLKTHYIUXNFMB-UHFFFAOYSA-N 412.509 3.027 0 40 HGAB COc1ccc([C@H]2CCCN2C(=O)c2cccc(CS(C)(=O)=O)c2)cc1OC 23386174 HJAKPKUNOFUPIP-GOSISDBHSA-N 403.500 3.226 0 40 HGAB CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)COc2cc(C(C)C)ccc2C)C1=O 23953579 LJAROKRUMFOUJI-QHCPKHFHSA-N 409.486 3.386 0 40 HGAB CCS(=O)(=O)c1ccc(O)c(NC(=O)c2ccc(NC(=O)c3ccco3)cc2)c1 24153309 JYGQKLVYNKHKOQ-UHFFFAOYSA-N 414.439 3.283 0 40 HGAB O=C1C(=O)N(CN2CCN(c3cccc(Cl)c3)CC2)c2c(F)ccc(Cl)c21 26552045 BJBIYEPFYUHXCY-UHFFFAOYSA-N 408.260 3.442 0 40 HGAB Cc1cccc(-n2nnnc2SCc2nc(N)nc(Nc3ccc(F)cc3)n2)c1C 27429384 JXYCUPLDDAPAOC-UHFFFAOYSA-N 423.481 3.221 0 40 HGAB Cn1ccnc1[C@@H](NC(=O)COC(=O)c1ccc2ccccc2c1O)c1ccccc1 28936252 GJFRIJBPKHKICZ-NRFANRHFSA-N 415.449 3.342 0 40 HGAB C[C@@H](C(=O)Nc1cccc2ncccc12)N1CCN(C(=O)c2ccc(F)cc2)CC1 29661314 IIMJNTDPKUOMAJ-INIZCTEOSA-N 406.461 3.159 0 40 HGAB CC(C)c1ccc(CCNC(=O)c2ccc(N(C)S(=O)(=O)N(C)C)cc2)cc1 30862893 BNUCWIOPZKRPCU-UHFFFAOYSA-N 403.548 3.025 0 40 HGAB COc1cc(OC)cc(C(=O)N2CCN(Cc3csc(C(C)(C)C)n3)CC2)c1 30927093 MHLKIXOKDDZISW-UHFFFAOYSA-N 403.548 3.416 0 40 HGAB CCCCNC(=O)C1CCN(C(=O)C2CCN(c3nc4ccccc4o3)CC2)CC1 31523791 CVMLVJRFCJJQMO-UHFFFAOYSA-N 412.534 3.199 0 40 HGAB COc1cc(-c2noc(-c3ccc(C)cc3)n2)ccc1OCC(=O)NC[C@H]1CCCO1 33013147 OVJPTGOTUSOTSJ-GOSISDBHSA-N 423.469 3.395 0 40 HGAB Cc1noc(C)c1S(=O)(=O)N1CCC(c2nnc(-c3ccc(F)cc3)o2)CC1 35597694 OSGDKKYNIDEWOX-UHFFFAOYSA-N 406.439 3.049 0 40 HGAB CC(C)C[C@H](CNc1nc(CN2CCOCC2)nc2sc3c(c12)CCC3)N(C)C 36725200 XPGJXXIJGQYWQT-MRXNPFEDSA-N 417.623 3.400 0 40 HGAB CN1CCN(C(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](c2ccc(F)cc2)N3)CC1 38177098 KJCNWIBVQCNNPG-GOEBONIOSA-N 411.403 3.070 0 40 HGAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N(C)Cc1ccccc1N1CCOCC1 39995678 UTBUFLYYSLENIT-XMMPIXPASA-N 419.525 3.446 0 40 HGAB O=C(Nc1ccc(-c2nnnn2C2CC2)cc1)N1CCN(Cc2cccs2)CC1 40104616 RELRNYBPYJTJMD-UHFFFAOYSA-N 409.519 3.086 0 40 HGAB CCOC(=O)c1sc2nc(C)nc(N(C)Cc3nnc4n3CCCCC4)c2c1C 45802465 PCSUNZGGMDWPGW-UHFFFAOYSA-N 414.535 3.439 0 40 HGAB O=C(CSc1nc2ncccn2n1)N1N=C(c2ccco2)C[C@@H]1c1cccs1 45873744 ZGSIRLSYPWWKRA-CYBMUJFWSA-N 410.484 3.249 0 40 HGAB Cc1ccc(Cl)cc1NC(=O)Cn1cnc2nc(N3CCCC3)sc2c1=O 45970495 MZDDQZLBRYLUHH-UHFFFAOYSA-N 403.895 3.054 0 40 HGAB COc1ccc(C(=O)O)cc1S(=O)(=O)Nc1ccc(F)cc1Br 46056019 YGUOCLSPDHOACW-UHFFFAOYSA-N 404.213 3.096 0 40 HGAB CC(C)CNC(=O)[C@@H]1CCCN(Cc2cc(=O)n3c(-c4ccccc4)csc3n2)C1 48289563 VVQLPMWCDDBMBL-GOSISDBHSA-N 424.570 3.407 0 40 HGAB COc1ccc(-c2nc(Cn3nnc(C(=O)Nc4ccc(C)cc4)c3N)c(C)o2)cc1 57511810 OAOUCILABXKYLK-UHFFFAOYSA-N 418.457 3.441 0 40 HGAB COc1ccccc1CC(=O)N1CCC(c2nc(-c3ccc4c(c3)OCO4)no2)CC1 67205797 LTDJPKSBSJRRTN-UHFFFAOYSA-N 421.453 3.423 0 40 HGAB COc1cccc(-c2ccc(=O)n(CC(=O)Nc3nc(-c4cccnc4)cs3)n2)c1 71282602 LGMPUAPICXQCDC-UHFFFAOYSA-N 419.466 3.076 0 40 HGAB CN(Cc1ccccc1F)C(=O)CN1CCN(C(=O)Nc2ccc(Cl)cc2)CC1 78968836 OCWBDWZFNRNUEY-UHFFFAOYSA-N 418.900 3.287 0 40 HGAB O=C(Nc1ccc(CCN2CCSCC2)cc1)N(CCCO)Cc1ccncc1 79059532 SXIVIKYVJKDKQA-UHFFFAOYSA-N 414.575 3.089 0 40 HGAB COc1cc2c3cnn(CN4CC[C@@H](c5ccccc5)C4)c(=O)c3n(C)c2cc1OC 79476964 HMPDXALCTPIWSJ-QGZVFWFLSA-N 418.497 3.352 0 40 HGAB COc1cc(CCNC(=O)CCc2cc3ccccc3[nH]c2=O)ccc1OC(F)F 95453248 CGJIQFZZPWOQND-UHFFFAOYSA-N 416.424 3.430 0 40 HGAB Cn1cc(-c2nc([C@H]3CCCCCN3C(=O)c3ccc4c(c3)COCO4)no2)cn1 96001844 DDLTUNUJRBGURS-QGZVFWFLSA-N 409.446 3.094 0 40 HGAB CN(C)c1cccc(C(=O)N2CCC3(CC2)C[C@H](N(C)Cc2cccnc2)CO3)c1 96220866 DBDLCKHMGHUSDD-QFIPXVFZSA-N 408.546 3.043 0 40 HGAB CSCC[C@@H]1NC(=O)c2cc(NC(=O)c3cccc4c3ccn4C)ccc2NC1=O 96221817 BDUGYSLYPGRCHM-SFHVURJKSA-N 422.510 3.234 0 40 HGAB biogenic Cc1cc(=O)c(O)c([C@@H](CC(=O)N2CCOCC2)c2ccc(-c3ccccc3)o2)o1 96222706 MASFYCOFMSOBNG-KRWDZBQOSA-N 409.438 3.295 0 40 HGAB biogenic O=C(COC(=O)c1ccccc1N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O)c1ccccc1 100555611 MZWAKOAEORXZOL-LRGYGIHKSA-N 403.434 3.262 0 40 HGAB CC(C)n1c(CNC(=O)[C@@H]2CC(=O)N(c3n[nH]c4ccccc34)C2)nc2ccccc21 169779902 FXMYZSADWNAWFM-OAHLLOKOSA-N 416.485 3.163 0 40 HGAB CN1CCC(Oc2ccc(NC(=O)CCCN3C(=O)c4ccccc4C3=O)cc2)CC1 219141206 SPDGBKGYULSKJP-UHFFFAOYSA-N 421.497 3.175 0 40 HGAB CC[C@@H](Oc1ccccc1F)C(=O)NCc1nc(-c2ccc(OC)cc2OC)no1 219584249 OWJOWYRXUYRSJE-MRXNPFEDSA-N 415.421 3.367 0 40 HGAB CSc1cccc(N(CC(=O)NCc2ccc(OC(C)C)cc2)S(C)(=O)=O)c1 220073185 AAMFERMHXMIGPN-UHFFFAOYSA-N 422.572 3.278 0 40 HGAB CC(C)Oc1cccc(N(CC(=O)N[C@@H](C)c2ccc(F)cc2)S(C)(=O)=O)c1 220112665 BLFOFUAVCBHIFM-HNNXBMFYSA-N 408.495 3.256 0 40 HGAB CCOc1ccc(CCCNC(=O)[C@@H](C)N(c2ccccc2F)S(C)(=O)=O)cc1 220318756 ALNJHPRSYMGVQG-MRXNPFEDSA-N 422.522 3.128 0 40 HGAB COc1ccc(CN(C(C)=O)[C@@H](C(=O)NCc2ccccn2)c2ccccc2)cc1 223542752 FOEQQOMLENQDOY-HSZRJFAPSA-N 403.482 3.496 0 40 HGAB CCc1ccccc1N(CC(=O)NCCOc1ccccc1C(C)C)S(C)(=O)=O 223756166 WUBUDSHUQXGFPW-UHFFFAOYSA-N 418.559 3.334 0 40 HGAB COc1ccc(S(=O)(=O)N(CC(=O)O)c2cccc(C(F)(F)F)c2)cc1C 224640510 GIGODBQVNUDJJY-UHFFFAOYSA-N 403.378 3.302 0 40 HGAB Cc1ccc(N(CC(=O)NCc2cccc(C(F)(F)F)c2)S(C)(=O)=O)c(C)c1 224726265 FKCZFCYYRYQORQ-UHFFFAOYSA-N 414.449 3.405 0 40 HGAB COc1ccc2cc(C(=O)NCc3nnc4ccc(-c5cccs5)nn34)[nH]c2c1 225763285 NYYCKVAZBASTRJ-UHFFFAOYSA-N 404.455 3.273 0 40 HGAB C[C@H]1C[C@@H](C)CN(c2cc(N3CCCC3)nc(NC(=S)NC[C@@H]3CCCO3)n2)C1 225906841 ULCHYDPLNGIIFY-BBWFWOEESA-N 418.611 3.025 0 40 HGAB COCCOc1cc(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)ccn1 244933280 CKHWWZVQTDHSMW-UHFFFAOYSA-N 409.408 3.088 0 40 HGAB COc1ccc2c(c1)O[C@@]1(C[C@H]3CC[C@H]1C[C@@H]3C(=O)NCc1ccc(F)cc1)NC2=O 247954733 NNELNDWZICFSLK-WQYJIASKSA-N 424.472 3.405 0 40 HGAB COc1ccc2c3c1O[C@@H]1[C@]34CCN(C)[C@H](C2)[C@]42C=C[C@@]1(OC)[C@@](C)(C(C)(C)O)C2 253503891 AKBVQTSSRCUQMV-VIEWORRFSA-N 411.542 3.077 0 40 HGAB biogenic,in-vitro COc1ccc(C(=O)N2[C@H]3CC[C@H]2[C@]2(CCN(Cc4cccc(C)n4)C2=O)C3)cc1 306130115 IWLKMWOEGKQRTH-PTLVVNQVSA-N 405.498 3.194 0 40 HGAB COc1cc2c(cc1/C=C1/SC(=O)N(CC(=O)Nc3ccccc3)C1=O)OCO2 409071072 NCWPRQUXDDHHFH-CAOOACKPSA-N 412.423 3.099 0 40 HGAB C[C@H]1Oc2ccc(C(=O)C3CCN(CCC(=O)Nc4ccccc4)CC3)cc2NC1=O 533508387 RCSAGUYQRBSXPL-MRXNPFEDSA-N 421.497 3.330 0 40 HGAB C[C@H]1CN(C(=O)C(C)(C)c2ccc3ccccc3c2)CCN1c1nccn2cnnc12 676379772 XHRRJACUYLLSNT-KRWDZBQOSA-N 414.513 3.292 0 40 HGAB C[C@H](NC(=O)c1cc(-c2c[nH]c3nccc-3c2)ccn1)c1noc(C(F)(F)F)n1 1638686174 FULMKIQUTUMBPE-VIFPVBQESA-N 402.336 3.469 0 40 HGAB CN(C)c1cccc(C(=O)N2CCC[C@@H](COc3ncc(Br)cn3)C2)c1 1775968238 UJKARRSWJBSPCT-CQSZACIVSA-N 419.323 3.236 0 40 HGAB CCN(CC)S(=O)(=O)c1cc(C(=O)OCCOc2ccc(C)cc2)ccc1F 11462896 GCZSPPGBVZYKGG-UHFFFAOYSA-N 409.479 3.400 0 40 HGAB Cc1nn(C)c(C)c1NC(=O)[C@H](C)OC(=O)c1cc(Cl)c2c(c1)OCCCO2 7825615 MHFQRYJJXXVBKA-LBPRGKRZSA-N 407.854 3.036 0 40 HGAB Cc1ccccc1C(=O)NC1CCN(C(=O)CN2CC[C@H](c3ccccc3)C2)CC1 69620799 LWJKVCUKLNURFR-NRFANRHFSA-N 405.542 3.205 0 40 HGAB COc1ccc(-c2coc3cc(OCCN4CCN(C)CC4)ccc3c2=O)cc1OC 20591871 GOGWJRVLVFKSEA-UHFFFAOYSA-N 424.497 3.103 0 40 HGAB biogenic Cc1cccc(CCNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)c1 1361936 FQEWQXDERZSJEY-GOSISDBHSA-N 420.962 3.408 0 40 HGAB CCc1ccc(NC(=O)COC(=O)[C@@H](CC(C)C)N2C(=O)c3ccccc3C2=O)cc1 2606495 JJKCVUKIDFABKL-HXUWFJFHSA-N 422.481 3.442 0 40 HGAB CCOC(=O)N1CCC(NC(=O)Cn2ccc3ccc(Br)cc32)CC1 20735506 BKSNDTBNFWWINO-UHFFFAOYSA-N 408.296 3.141 0 40 HGAB COc1ccc(NC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1 101465340 CUNZZMHAVBCWQM-BXLRBYEISA-N 418.493 3.276 0 40 HGAB O=C(O)CCC(=O)N1C[C@@H]2C[C@H](C1)c1ccc(-c3ccc4ccccc4c3)c(=O)n1C2 4237093 UVXINIOITZOOOC-OXJNMPFZSA-N 416.477 3.479 0 40 HGAB biogenic,in-vitro O=C(Nc1nc2ccc(F)cc2s1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 6834216 PAKYEONDNXOPRK-LLVKDONJSA-N 413.430 3.198 0 40 HGAB C[C@@H](NS(=O)(=O)c1ccc(C2CCCCC2)cc1)c1ccc(S(N)(=O)=O)cc1 7985659 DVGWHVGINPHMAE-OAHLLOKOSA-N 422.572 3.421 0 40 HGAB CCCN1CCN(c2ncc3c(n2)-c2cn(-c4ccc(C)cc4)nc2NCC3)CC1 32918704 NWKSPIARSPASAM-UHFFFAOYSA-N 403.534 3.138 0 40 HGAB C[C@]1(c2ccco2)NC(=O)N(C[C@@H](O)COc2ccc(-c3ccccc3)cc2)C1=O 21702795 KPICOITVSGFVJH-WZONZLPQSA-N 406.438 3.154 0 40 HGAB O=C1C[C@H](N2CCN(c3ccccc3Cl)CC2)C(=O)N1Cc1ccc(Cl)cc1 103292366 QBVFAAKFNWRRCF-IBGZPJMESA-N 418.324 3.443 0 40 HGAB COc1ccccc1N(C(C)=O)c1nc(CSc2nnnn2C2CC2)cs1 8075251 BKANVLMRIFCMKF-UHFFFAOYSA-N 402.505 3.450 0 40 HGAB Cc1csc(=O)n1CCC(=O)OCC(=O)Nc1cc(C(F)(F)F)ccc1Cl 9466485 ZFEOBACBWWJRNA-UHFFFAOYSA-N 422.812 3.462 0 40 HGAB CCOc1ccc(N(CC(=O)NC2CC2)S(=O)(=O)c2ccc(SC)cc2)cc1 656227 KTMZQNANCYIUIH-UHFFFAOYSA-N 420.556 3.281 0 40 HGAB Cc1cc(C(F)F)nn1CC(=O)NCCCn1nc(C(F)(F)F)cc1C1CC1 2781999 HQGDTHRFGXDKHE-UHFFFAOYSA-N 405.371 3.428 0 40 HGAB COc1cc(NC(=O)CCc2nnc(-c3ccccc3)o2)c(C(=O)N(C)C)cc1OC 25217785 WFJRBRAFRSVWKA-UHFFFAOYSA-N 424.457 3.027 0 40 HGAB Cc1cc(NC(=O)[C@@H](C)OC(=O)Cc2csc(COc3ccc(F)cc3)n2)no1 23219227 HXSFTVYKAZVXKR-GFCCVEGCSA-N 419.434 3.271 0 40 HGAB CCN(CC)CCNC(=O)Cn1ccc2ccnc(-c3ccc(OC)c(OC)c3)c21 57774240 SVOFULVDOJVRRG-UHFFFAOYSA-N 410.518 3.179 0 40 HGAB CCOC(=O)C1=C(CN(C)Cc2ccccc2)NC(=O)N[C@@H]1c1ccc(OCC)cc1 57415460 QGQJEAGKNQMRNY-JOCHJYFZSA-N 423.513 3.388 0 40 HGAB O=C(O)c1cccc(NC(=O)c2cc3c([nH]c2=O)C[C@H](c2ccccc2)CC3=O)c1 35506362 XKEJKFFMFVKVFV-HNNXBMFYSA-N 402.406 3.238 0 40 HGAB O=C(N[C@H]1CCS(=O)(=O)C1)c1cc2sccc2n1Cc1ccc(Cl)cc1 44890138 ZSHWMQQAXMTMBG-AWEZNQCLSA-N 408.932 3.321 0 40 HGAB O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@H]1CCC[C@H](C(F)(F)F)C1 58225111 VSIJQCUOCLXVDX-KBPBESRZSA-N 420.453 3.015 0 40 HGAB CN(C)[C@@H](CNC(=O)CCn1c(S)nnc1-c1cccs1)c1cccc(F)c1 12551865 UMUAVHLWHVUAIX-HNNXBMFYSA-N 419.551 3.244 0 40 HGAB C[C@H]1CCC=C2C[C@H]3OC(=O)[C@H](CN4CCN(c5ccccc5)CC4)[C@H]3[C@@H](O)[C@@]21C 61997539 MAJIMOBMGHQQSS-DBPOXSKKSA-N 410.558 3.094 0 40 HGAB COc1cccc([C@@H]2NC(N)=Nc3nc4cc5c(cc4n32)OCCCO5)c1OC(C)C 12506960 BNNLJPKLIRFKSY-HXUWFJFHSA-N 423.473 3.090 0 40 HGAB CCOc1cccc(-c2nnc(SCC(=O)Nc3cc(C)ccc3OC)n2N)c1 2445549 IFMWLPFSEBXNRD-UHFFFAOYSA-N 413.503 3.105 0 40 HGAB C[C@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 12734758 XVJWULFPKVWARA-GCJKJVERSA-N 423.513 3.129 0 40 HGAB CC[C@@H]1CCCCN1C(=O)[C@@H](C)S(=O)(=O)Cc1cc(Cl)c2c(c1)OCO2 48253308 OTTSWEABXVPZGT-TZMCWYRMSA-N 401.912 3.163 0 40 HGAB Cc1ccc([C@@H](NC(=O)CN(C)S(=O)(=O)c2cccs2)C(F)(F)F)cc1 48325155 UOMLBGOQZUKFGU-OAHLLOKOSA-N 406.451 3.097 0 40 HGAB CNS(=O)(=O)Cc1ccccc1CNC(=O)c1ccc2[nH]c3c(c2c1)CCCC3 12890716 KNIHECLJEAYZFH-UHFFFAOYSA-N 411.527 3.026 0 40 HGAB O=C(COc1ccc(Br)cc1)NC[C@H](c1ccccc1)N1CCOCC1 12874986 XXWWHBYZXXZNIH-LJQANCHMSA-N 419.319 3.018 0 40 HGAB O=C(COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)N1CCCCCC1 408557006 LLHICBVUDFSECN-UHFFFAOYSA-N 414.527 3.219 0 40 HGAB Cn1c(SCC(=O)c2ccc3c(c2)OCO3)nnc1[C@H]1COc2ccccc2O1 3405744 MQNYGFDIBRAGIC-GOSISDBHSA-N 411.439 3.031 0 40 HGAB aggregator Cn1nc(C(=O)N(Cc2ccc3c(c2)OCO3)C2CCCC2)c2ccccc2c1=O 12972572 DCVJNEJLJQOROY-UHFFFAOYSA-N 405.454 3.247 0 40 HGAB C[C@H]1CCc2c(sc3nc([C@@H](C)Sc4nnc(N)n4C4CC4)[nH]c(=O)c23)C1 12919098 RPMZBICCKADFCX-DTWKUNHWSA-N 402.549 3.471 0 40 HGAB Cc1ccc(Cn2cc(-n3c(S)nnc3-c3[nH]ncc3Br)cn2)cc1 17090507 GOZYNJRSGYXNHB-UHFFFAOYSA-N 416.308 3.262 0 40 HGAB O=C(Cc1csc(NS(=O)(=O)c2ccccc2)n1)Nc1nc2ccccc2[nH]1 13720480 YLMHLYIGYJCQJN-UHFFFAOYSA-N 413.484 3.001 0 40 HGAB COc1ccc2ccc(OCC(=O)Nc3cccc(S(=O)(=O)N(C)C)c3)cc2c1 5365827 OQNQTTOVUNHPEJ-UHFFFAOYSA-N 414.483 3.116 0 40 HGAB CS(=O)(=O)Cc1ccc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1 14200118 FYMWCXWOHQOZIE-IBGZPJMESA-N 415.511 3.370 0 40 HGAB O=C(NC1CCCC1)c1ccccc1NC(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1 14423780 XACUZPHICHRTDQ-LJQANCHMSA-N 419.525 3.389 0 40 HGAB CN(Cc1ccc2c(c1)OCO2)C(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 18156596 DYTCJDVGMQERKG-UHFFFAOYSA-N 424.478 3.488 0 40 HGAB COc1ccc(C)cc1NC(=O)c1nnn(Cc2cccc(C(F)(F)F)c2)c1N 4934450 WPCLARMZPFMCID-UHFFFAOYSA-N 405.380 3.497 0 40 HGAB COc1cc(C)ccc1OCC(=O)OCC(=O)c1cc(C)n(C[C@@H]2CCCO2)c1C 5938149 XZHVOWAIMHGVQB-SFHVURJKSA-N 415.486 3.406 0 40 HGAB Cc1occc1-c1nnc(S[C@@H](C)C(=O)c2ccc(NS(C)(=O)=O)cc2)o1 7026471 NXTPJLWZXZFUCM-NSHDSACASA-N 407.473 3.373 0 40 HGAB CCn1c(SCC(=O)NCc2ccccc2)nnc1[C@H](C)NC(=O)c1ccccc1 409128827 IYJNCQONUKJBMH-INIZCTEOSA-N 423.542 3.198 0 40 HGAB CCOc1ccc(NC(=O)CN2C[C@H](C(=O)N3CCCCC3)Oc3ccccc32)cc1 7251922 LXATYUHMHOQLJB-JOCHJYFZSA-N 423.513 3.304 0 40 HGAB Cn1c(Cc2cccs2)nnc1SCc1nc(N)nc(Nc2ccccc2)n1 7372038 YYURNMQTYBRKCN-UHFFFAOYSA-N 410.532 3.271 0 40 HGAB CC1(C)CS(=O)(=O)N(c2cccc(C(=O)Nc3ccc(F)c(Cl)c3)c2)C1=O 15858654 QTBURCOXROUEEV-UHFFFAOYSA-N 410.854 3.434 0 40 HGAB Cc1ccc(C)c(N(CC(=O)N[C@H](C)CCc2ccccc2)S(=O)(=O)N(C)C)c1 20244942 JXOXHAIGFJWCTJ-LJQANCHMSA-N 417.575 3.054 0 40 HGAB CC(=O)c1ccc(OC[C@@H](O)CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1 22030627 ANFQGFDMBBGCAT-NRFANRHFSA-N 402.922 3.100 0 40 HGAB CC(=O)Nc1ccccc1OS(=O)(=O)c1ccc(I)cc1 9030232 NXCAONUEAWUUHB-UHFFFAOYSA-N 417.224 3.017 0 40 HGAB CCc1ccccc1NC(=O)c1nnn(CC(=O)NCc2ccccc2Cl)c1C 71327093 LPMUUFDDLBCABM-UHFFFAOYSA-N 411.893 3.371 0 40 HGAB O=C(C1CCOCC1)N1CCCCC[C@H]1C1CCN(Cc2nnc(C3CC3)o2)CC1 71890552 ULODFWFBGGOSAY-FQEVSTJZSA-N 416.566 3.357 0 40 HGAB COC(=O)C[C@@H]1CSCCN1CC(=O)Nc1cccc(Oc2ccccc2)c1 78969520 LZZAFNQLBTUZDB-QGZVFWFLSA-N 400.500 3.398 0 40 HGAB CCOC(=O)[C@H]1Sc2nnc(C(F)(F)F)n2N[C@H]1c1ccc(OCC)cc1 27028554 OPNZSVUTAFOORE-RYUDHWBXSA-N 402.398 3.018 0 40 HGAB Cc1nn(C)c(C)c1CN1CC[C@]2(COCc3cnc(NCc4ccccc4)nc32)C1 306127125 FOZIKEHBVLRNFK-XMMPIXPASA-N 418.545 3.113 0 40 HGAB COc1ccc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc3ccccc3c2)c(OC)c1 408556888 FEXUGDYVXCPLJZ-CQSZACIVSA-N 414.483 3.163 0 40 HGAB CCCCc1ccc(NC(=O)CN(c2ccccc2F)S(=O)(=O)N(C)C)cc1 30857370 NUPTWJIKRRALBJ-UHFFFAOYSA-N 407.511 3.420 0 40 HGAB COc1cc(F)ccc1-c1ccc(=O)n(CC(=O)Nc2cccc3c2ccn3C)n1 71289098 VYZLDQHLBYEUDH-UHFFFAOYSA-N 406.417 3.188 0 40 HGAB Cc1nc(CN(C)C(=O)c2ccccn2)nc2c1CCC(=O)N2Cc1ccc(F)cc1 72371014 YLYLEUCBWFUFMR-UHFFFAOYSA-N 419.460 3.071 0 40 HGAB Cn1cnc(S(=O)(=O)N2CCC(c3cncc(-c4cccc(Cl)c4)n3)CC2)c1 72359827 PASBRYKFVJIAHX-UHFFFAOYSA-N 417.922 3.099 0 40 HGAB Cn1ccnc1-c1c(-c2ccc(F)cc2)cnn1CCNC(=O)Cc1ccccc1 72391169 XBGHTZCTSHFJMP-UHFFFAOYSA-N 403.461 3.449 0 40 HGAB CCS(=O)(=O)N1CCC[C@@H](C(=O)N[C@@H](C)c2cc(C(C)C)c(OC)cc2C)C1 223368067 KJAAMQGGQIEIJX-DLBZAZTESA-N 410.580 3.366 0 40 HGAB COc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NC3CCCC3)cc2)cc1 224435906 YUFJSOXSJXHPPD-UHFFFAOYSA-N 402.516 3.188 0 40 HGAB COc1ccc(S(=O)(=O)N(C)Cc2cccc(Cl)c2)cc1C(=O)NC(C)C 223881777 PMVOPMFSHYBEJB-UHFFFAOYSA-N 410.923 3.308 0 40 HGAB O=C(NCc1ccccn1)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl 44847182 OKPADJKDDBBONZ-UHFFFAOYSA-N 401.875 3.466 0 40 HGAB C[C@@H](C(=O)NCCOc1ccc2ccccc2c1)N(c1ccccc1)S(C)(=O)=O 223593562 NJVMKBSOSHDKCL-KRWDZBQOSA-N 412.511 3.190 0 40 HGAB O=C(NCc1cccs1)c1cc(-c2cnc(N3CCOCC3)nc2)cn1CC1CC1 96037698 ZXOWDPTUXBTNQP-UHFFFAOYSA-N 423.542 3.183 0 40 HGAB Cc1cc(Nc2ncccn2)cc([C@@H]2CCN(CC(=O)Nc3ccc(F)cc3)C2)n1 257200758 AEUHNRJRFZKOJR-MRXNPFEDSA-N 406.465 3.491 0 40 HGAB Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC2(CC1)OCc1ccccc12 669800648 YPDBGGQEIBTKHA-UHFFFAOYSA-N 414.469 3.157 0 40 HGAB O=C1COc2ccc(C(=O)N3CCCC4=C[C@H]5C[C@@H](CN6CCCC[C@H]56)[C@H]43)cc2N1 604404058 AQGXPEQKXOPOBJ-DWXLDPMZSA-N 407.514 3.053 0 40 HGAB biogenic COc1ccccc1[C@H](CNS(=O)(=O)c1ccccc1OC(F)(F)F)OC 96385078 WALBCZGUFATDDJ-HNNXBMFYSA-N 405.394 3.260 0 40 HGAB C[C@@]1(c2cccc(NC(=O)C3(c4cccc(C(F)(F)F)c4)CC3)c2)NC(=O)NC1=O 589319039 WNDJTVAWJJSQDV-IBGZPJMESA-N 417.387 3.430 0 40 HGAB CNC(=S)N(Cc1ccc2c(c1)OCO2)Cc1cc2ccc(C)c(C)c2[nH]c1=O 875225 XNBSSICFXYAIJF-UHFFFAOYSA-N 409.511 3.380 0 40 HGAB COc1ccc(CN2CCC3(CC2)CC(=O)N(Cc2ccncc2)c2ccnn23)cc1 1772596383 BXLDNEQCBZABKL-UHFFFAOYSA-N 417.513 3.215 0 40 HGAB CN(C)C[C@@H]1CCC[C@H](CN(C)C)C1OC(=O)C(O)(c1ccccc1)c1ccccc1 5699217 OATLNLNXMMWYCC-SVGJNIJCSA-N 424.585 3.374 0 40 HGAB O=C(NN1CC(=O)N(Cc2cccs2)C1=O)C(c1ccccc1)c1ccccc1 5018996 YEZKNGBICCTCII-UHFFFAOYSA-N 405.479 3.376 0 40 HGAB CC(C)(C)C1=NN(CC(=O)NCc2ccccn2)C(=O)c2cc3ccccc3n2C1 12117953 ODWKRLTZEORJSH-UHFFFAOYSA-N 403.486 3.211 0 40 HGAB O=C(Nc1ccccc1C(=O)NC[C@H]1CCCO1)c1ccc(CN2CCCC2)cc1 13677485 ULCHXMCRFDTCNZ-HXUWFJFHSA-N 407.514 3.444 0 40 HGAB COc1cc(OC)c2cc(C(=O)NCC(=O)Nc3nc4ccccc4s3)n(C)c2c1 13720453 YHPOLBBVFNUGSV-UHFFFAOYSA-N 424.482 3.174 0 40 HGAB COc1ccc(CN(C)C(=O)CCCN(c2ccc(F)cc2)S(C)(=O)=O)cc1 14397970 TZIXAXKQLRRHJN-UHFFFAOYSA-N 408.495 3.039 0 40 HGAB CCOc1ccc(NC(=O)COc2ccc(S(=O)(=O)NC3CCCC3)cc2)cc1 16691747 QSQVIVTYKLANOJ-UHFFFAOYSA-N 418.515 3.324 0 40 HGAB COc1ccc(CN2CCC(c3n[nH]cc3C(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)cc1 19497329 XNPVNHNHCLHSGT-IRXDYDNUSA-N 412.534 3.047 0 40 HGAB Cc1nc(CC(=O)Nc2cnn(CC(=O)Nc3cccc(C(F)(F)F)c3)c2)cs1 19746188 JBHVJJGHZIEBBJ-UHFFFAOYSA-N 423.420 3.487 0 40 HGAB COCCNC(=O)c1cc([C@H]2CCN(C(=O)Cc3ccccc3)C2)nc2ccccc12 19754360 ZZTSRFFTTPLMCT-IBGZPJMESA-N 417.509 3.170 0 40 HGAB CC1CCN(C(=O)CSc2nc3ccccc3n2CC(=O)N2CCCC2)CC1 35312083 SPNLRNMKGFFHCQ-UHFFFAOYSA-N 400.548 3.009 0 40 HGAB O=C(Cc1ccccc1Br)N1CCN(c2cc3c(nn2)CCCC3)CC1 225791380 KJHSSMNMBKQEGI-UHFFFAOYSA-N 415.335 3.009 0 40 HGAB COc1cc2cc(N)c(C3CCN(C(=O)[C@@H](C)N4CCCC4)CC3)nc2cc1OC 12087968 VNZKSPBJWGDRHT-OAHLLOKOSA-N 412.534 3.025 0 40 HGAB CN(CC1CCN(C(=O)NC[C@H]2CCCO2)CC1)c1cc(C(F)(F)F)ccn1 1888864194 MYDNMWYERUOOAI-MRXNPFEDSA-N 400.445 3.137 0 40 HGAB O=C(CCn1ccn2nc(-c3ccc(F)cc3)cc2c1=O)NCc1cccc(F)c1 1889030493 DDKPASZOILHAMR-UHFFFAOYSA-N 408.408 3.148 0 40 HGAB O=C(CCCSc1ccc(NC(=O)c2ccc(F)cc2)nn1)NC[C@H]1CCCO1 11794487 AIOVPAKSQXBTDS-MRXNPFEDSA-N 418.494 3.036 0 40 HGAB CC1CCN(C(=O)c2cc(NC(=O)c3c(F)cccc3Cl)c(=O)n(C)c2)CC1 36685880 MZKHGXWTUHEDAJ-UHFFFAOYSA-N 405.857 3.302 0 40 HGAB COc1cccc(/C=c2\sc3nc(-c4ccccc4Br)nn3c2=O)c1 13752311 SUWIYLPDMGUIOM-GDNBJRDFSA-N 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0 40 HGAB CC(C)(C(=O)N1CCO[C@H](c2cccc(-c3cnc(N)nc3)n2)C1)c1cccc(F)c1 257217462 CZBWBKVLZTZYSB-FQEVSTJZSA-N 421.476 3.138 0 40 HGAB COC(=O)CNC(=O)C1(Cc2cccc(-c3cc(F)ccc3OC)c2)CCOCC1 257236875 HEDQVNBFJPYIGW-UHFFFAOYSA-N 415.461 3.130 0 40 HGAB Cn1cc(CN2CC[C@H](c3ccnc(Nc4cc(C(F)(F)F)ccn4)n3)C2)cn1 257300428 RUFGKEIRGHNZKP-AWEZNQCLSA-N 403.412 3.357 0 40 HGAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cc(C)ccc2OC)cc1C 408626716 WBPOCRMMUVSGKE-HNNXBMFYSA-N 406.504 3.016 0 40 HGAB CC[C@@H](C)[C@H](NC(=O)c1ccc2nc[nH]c2n1)C(=O)Nc1cccc(N2CCCC2)c1 542603482 HXYXIBMBEDCFIA-QRWLVFNGSA-N 420.517 3.341 0 40 HGAB O=C(NCCc1c[nH]c2ccc(Cl)cc12)[C@@H]1CCS(=O)(=O)c2ccccc21 551630679 WONRUWKBOZDIDZ-MRXNPFEDSA-N 402.903 3.441 0 40 HGAB COc1ccc([C@@H]2CCCN2C(=O)CC2(Cn3cnnn3)CCCCC2)c(OC)c1 604419586 GNLKQZDPBYMFON-IBGZPJMESA-N 413.522 3.395 0 40 HGAB O=C1C[C@H]2[C@H](CCN2Cc2ncc(C(F)(F)F)[nH]2)N1Cc1cccc(F)c1F 1565550638 DLYIIPRRHPGDQK-STQMWFEESA-N 400.351 3.082 0 40 HGAB O=C1CC[C@H](c2cccc(NC(=O)N[C@H]3CCCN(c4ccccc4F)C3=O)c2)N1 1678456011 FDIYMAQORVGYMQ-MSOLQXFVSA-N 410.449 3.094 0 40 HGAB COc1ccccc1OCC(=O)N1CC[C@@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@H]21 1889186351 FKQDCCAFTOUMAS-GDBMZVCRSA-N 421.419 3.225 0 40 HGAB COc1ccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)cc1 796819 DYAIRYYTBMGZJE-MRXNPFEDSA-N 422.934 3.066 0 40 HGAB O=C(CN(Cc1ccccc1)C(=O)c1ccc2c(c1)OCCO2)NCc1ccccc1 1328689 SUKUONIEWWHECG-UHFFFAOYSA-N 416.477 3.417 0 40 HGAB CCn1c(SCC(=O)Nc2ccc(NC(=O)C3CC3)cc2)nnc1-c1cccnc1 1342443 YBJDXVKPDJMPSR-UHFFFAOYSA-N 422.514 3.439 0 40 HGAB CCOc1ccc(N2C(=O)C[C@H](N3CCC(c4nc5ccccc5[nH]4)CC3)C2=O)cc1 1441367 CISVYJMJGOHDIT-NRFANRHFSA-N 418.497 3.473 0 40 HGAB CCNC(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(SC)cc1 2064881 WRINNBPRMLDIMC-UHFFFAOYSA-N 408.545 3.139 0 40 HGAB O=C(N[C@]1(C(F)(F)F)NC(=O)N(c2cccc(Cl)c2)C1=O)c1cccs1 2503996 NBZGIHZYKFDDDD-AWEZNQCLSA-N 403.769 3.146 0 40 HGAB CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)/C=C/c2cccc(OC)c2OC)c1C 2658637 GWRJEWRZKGDXMX-ZHACJKMWSA-N 415.442 3.265 0 40 HGAB CCCCn1c(SCC(=O)Nc2ccccc2)nc2cc(S(N)(=O)=O)ccc21 3239996 ULWJCEGMQPJRSC-UHFFFAOYSA-N 418.544 3.215 0 40 HGAB CN(C)[C@@H](CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccs1)c1ccco1 3417350 IWNJTXQTRJDTOB-ROUUACIJSA-N 411.527 3.101 0 40 HGAB Cc1ccc(C(=O)OCC(=O)NCCc2ccccc2)cc1NC(=O)c1ccco1 3465331 LKBGURWCMNMZIH-UHFFFAOYSA-N 406.438 3.356 0 40 HGAB COc1ccc(CNC(=O)[C@H]2N3C(=O)c4ccccc4[C@@H]3SC2(C)C)cc1OC 4081887 PHDHAJHGGVGUEH-NQIIRXRSSA-N 412.511 3.369 0 40 HGAB biogenic CCOc1ccc(N2C[C@@H](C(=O)NCCc3c[nH]c4ccc(OC)cc34)CC2=O)cc1 4732276 TYRRQVSQLCXJMN-KRWDZBQOSA-N 421.497 3.287 0 40 HGAB O=S(=O)(c1ccccc1)n1nc(-c2cccnc2)nc1NCc1ccc(F)cc1 4777320 ZSXNDBJTESUDDK-UHFFFAOYSA-N 409.446 3.328 0 40 HGAB COc1ccccc1NS(=O)(=O)c1cc(NC(C)=O)ccc1N1CCCCC1 4865406 URRYBQFQZZREKM-UHFFFAOYSA-N 403.504 3.445 0 40 HGAB COc1cc(-c2nnc(COC(=O)c3c(F)cccc3F)o2)cc(OC)c1OC 5535578 UIXXDFBNXPMQDH-UHFFFAOYSA-N 406.341 3.398 0 40 HGAB COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCCC(C)C)cc2)cc1OC 6023185 JNRWAXAPBTYBLJ-UHFFFAOYSA-N 420.531 3.305 0 40 HGAB CC1CCN(C(=O)CCc2ccc(S(=O)(=O)NCCc3ccccc3)cc2)CC1 6348715 MOEJRERHNZZYEX-UHFFFAOYSA-N 414.571 3.399 0 40 HGAB COCCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(OCCC(C)C)c(OC)c1 6763838 RJHNIPRIBPCFRO-LJQANCHMSA-N 422.547 3.103 0 40 HGAB O=C(COc1ccccc1)Nc1sc2c(c1C(=O)N1CCOCC1)CCCC2 7214272 FGLIAIYYMQOJPG-UHFFFAOYSA-N 400.500 3.117 0 40 HGAB COc1ccc(Br)cc1CN(C)Cc1cc(=O)n2cc(C)ccc2n1 7266316 CYWFADAMIZDJPC-UHFFFAOYSA-N 402.292 3.406 0 40 HGAB CN(Cc1nc2ccccc2s1)C(=O)CSc1nnc(-c2ccncc2)n1C 7329585 YGDMEBSMODXJKB-UHFFFAOYSA-N 410.528 3.238 0 40 HGAB O=C(Cn1nnc(-c2ccc(Br)cc2)n1)N1CC[C@@H]2CCCC[C@@H]2C1 7337134 WONAKPJRMKTXNM-DZGCQCFKSA-N 404.312 3.141 0 40 HGAB Cc1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c(Cl)c1 7403965 NUYBWJFENPSWGR-UHFFFAOYSA-N 414.936 3.234 0 40 HGAB CN1CCN(c2nc(-c3ccc(S(=O)(=O)N4CCCCCC4)cc3)cs2)CC1 7845210 IBLYETYVMOZDSC-UHFFFAOYSA-N 420.604 3.127 0 40 HGAB O=C(NCCCn1ccc2ccccc21)c1ccc(S(=O)(=O)N2CCCC2)cc1 8192097 YYHOVLNZYNLPCV-UHFFFAOYSA-N 411.527 3.246 0 40 HGAB Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3cccc(C)c3)c(=O)n2C)cc1 8361851 BAZLJWYTAPDUCZ-UHFFFAOYSA-N 415.497 3.104 0 40 HGAB CC(C)OCCCNS(=O)(=O)c1ccc(NC(=O)c2ccccc2F)c(F)c1 8810742 DZAKVBFVRGWMLJ-UHFFFAOYSA-N 412.458 3.311 0 40 HGAB Cc1[nH]c2ccccc2c1[C@H]1c2ccccc2C(=O)N1CCC(=O)N1CCOCC1 9095205 DXSOIFNUENYVSP-HSZRJFAPSA-N 403.482 3.270 0 40 HGAB CCOc1ccc(C(=O)Nc2nnc(S(=O)(=O)Nc3ccccc3C)s2)cc1 9251771 AREWDSQJXSUTMR-UHFFFAOYSA-N 418.500 3.298 0 40 HGAB Cc1nc(-c2ccccn2)sc1C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 10969213 WTWMONYPOOOSDT-LBPRGKRZSA-N 401.513 3.408 0 40 HGAB O=C(Nc1nc(CCC(=O)N2CCN(c3ccccc3)CC2)cs1)c1ccco1 11796774 JYDINCOQXOZFBH-UHFFFAOYSA-N 410.499 3.270 0 40 HGAB COc1ccc(CN2CCN(c3ccccc3[C@H](O)c3nccn3C)CC2)c(C)c1C 12143380 WBTISFLNWCZEPW-DEOSSOPVSA-N 420.557 3.449 0 40 HGAB O=C(c1ccc(CN2CCCC2)o1)N1CCC[C@H](c2nc3ccccc3c(=O)[nH]2)C1 12145140 BQLWHPMDVOXHGU-INIZCTEOSA-N 406.486 3.132 0 40 HGAB Cc1cnc(-c2nc([C@@H]3CCCN(C(=O)[C@H](C)Oc4ccc(F)cc4)C3)no2)cn1 12187795 UIEMIIQDSYPBAN-LSDHHAIUSA-N 411.437 3.148 0 40 HGAB C[C@H]1CN(c2ncc3c(n2)CC(C)(C)C[C@@H]3NC(=O)C[C@@H]2CCCCO2)C[C@@H](C)O1 12240661 RSHMGTHGLVTIQM-ZMMAXQRCSA-N 416.566 3.179 0 40 HGAB COc1ccc(F)cc1C1=NN(C(=O)CCC(=O)O)[C@@H](c2ccc3nccnc3c2)C1 12407920 KBMAYINBHLWZAQ-LJQANCHMSA-N 422.416 3.320 0 40 HGAB CN1C(=O)N[C@H](c2ccc(F)cc2)[C@@H](C(=O)c2cccs2)[C@@]1(O)C(F)(F)F 12560859 LWGIRDKQTGACFI-WOSRLPQWSA-N 402.369 3.333 0 40 HGAB CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)[C@H](C)Oc1ccc(Cl)cc1 12902056 MUTNRNTXYSTKLH-AWEZNQCLSA-N 418.877 3.366 0 40 HGAB O=C(O)CCC(=O)N1N=C(c2cc3ccccc3o2)C[C@@]12C(=O)Nc1ccccc12 13626344 MCAFNBINNVGXIX-JOCHJYFZSA-N 403.394 3.082 0 40 HGAB O=C(COc1ccc2c(=O)c(-c3ccc(Cl)cc3)coc2c1)N1CCC[C@H]1CO 13690437 VMARFTXBWZRKMZ-INIZCTEOSA-N 413.857 3.476 0 40 HGAB Cc1cc(C)c(S(=O)(=O)NCCCn2nc(-c3cccs3)ccc2=O)cc1C 13799900 IPHATPJQSNMNQM-UHFFFAOYSA-N 417.556 3.266 0 40 HGAB Cc1cccc(OC[C@@H](O)CN2C(=O)N[C@@](C)(c3ccc4ccccc4c3)C2=O)c1 15236738 BJLHCSKEVUZFRP-RDPSFJRHSA-N 404.466 3.355 0 40 HGAB O=C(CCN1C(=O)c2ccccc2C1=O)NCCCCOc1ccc(Cl)cc1 15544587 PYUFUYWCSMXVTQ-UHFFFAOYSA-N 400.862 3.302 0 40 HGAB O=C(Oc1ccccc1)c1nc(S(=O)(=O)Cc2ccc(F)cc2)ncc1Cl 15859858 LAPOUSQDFNVQNE-UHFFFAOYSA-N 406.822 3.462 0 40 HGAB O=S(=O)(NCc1ccncc1)c1cc(Br)ccc1Br 16780669 IYKIVPATLUGYDO-UHFFFAOYSA-N 406.099 3.085 0 40 HGAB COc1ccc(-c2ccc(=O)n(Cc3nc(-c4ccc(OC)cc4OC)no3)n2)cc1 16844858 PWVCMDUMDZEFJY-UHFFFAOYSA-N 420.425 3.034 0 40 HGAB CN(C)S(=O)(=O)c1ccc2nc(NC(=O)c3nc4ccccc4s3)sc2c1 16913916 HEPKQOYDZUTJDA-UHFFFAOYSA-N 418.525 3.409 0 40 HGAB O=C(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 18096399 VHMHVTSFPFGGRP-ZACQAIPSSA-N 423.538 3.344 0 40 HGAB Cc1cccc(C)c1OCC(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 18108386 HMXKOMUVIZCLSP-UHFFFAOYSA-N 416.543 3.173 0 40 HGAB O=C(CCc1ccccc1)N1CCC[C@H]([C@@H]2C[C@H](C(F)(F)F)n3ncnc3N2)C1 19370719 YWCBLZLEFZITOL-YESZJQIVSA-N 407.440 3.437 0 40 HGAB Cc1cc(-c2cnc(N)nc2)cc(C2CCN(C(=O)COc3ccc(F)cc3)CC2)n1 19687629 FPSBHPGIUTYQFH-UHFFFAOYSA-N 421.476 3.353 0 40 HGAB CCn1cc(-c2cc(C(=O)Nc3cccc(Cl)c3N3CCOCC3)no2)cn1 19719307 IVGTUIUIWRTGLN-UHFFFAOYSA-N 401.854 3.300 0 40 HGAB Cc1ncc(C(=O)N2CCC[C@@H](N(C)C(=O)c3nccc4ccccc34)CC2)c(C)n1 19749864 AXNZYXILQXZFCG-LJQANCHMSA-N 417.513 3.409 0 40 HGAB CCN(CC)C(=O)CN1CCCC[C@H]1c1nc(C)ncc1C(=O)NC1CCCCC1 19766917 LDKPVGQOEKFQGS-FQEVSTJZSA-N 415.582 3.243 0 40 HGAB Cc1ccc(-c2cc(C(=O)NCCC(C)C)nn2[C@H]2CCS(=O)(=O)C2)cc1C 20397452 NKIWDVYJZAXCRZ-SFHVURJKSA-N 403.548 3.302 0 40 HGAB CCOC(=O)[C@H]1C(=O)N=C(N2CCc3ccccc3C2)N[C@H]1c1ccc(SC)cc1 20636837 XFHNJKGNKCLCNB-UXHICEINSA-N 423.538 3.173 0 40 HGAB Cn1c(C(=O)NCCNC(=O)c2ccc(Br)cc2)cc2ccccc21 20735709 LVOUGBDCLBHBPE-UHFFFAOYSA-N 400.276 3.101 0 40 HGAB CCc1nn2c(=O)cc(CN(C)Cc3cc(Br)ccc3OC)nc2s1 20962019 UAYXUWZDZAMELK-UHFFFAOYSA-N 423.336 3.117 0 40 HGAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)CCCN2C(=O)c3ccccc3C2=O)c1 21204302 JJFPHBFAPUVKBP-FQEVSTJZSA-N 422.481 3.444 0 40 HGAB Cc1cccc(NC(=O)CN2CCN(C(=O)c3nc(Cl)ccc3Cl)CC2)c1C 21799440 GPKMCIBWSQGQTG-UHFFFAOYSA-N 421.328 3.402 0 40 HGAB Cc1nn(C)c(Cl)c1C(=O)Nc1cccc(S(=O)(=O)N(C)c2ccccc2)c1 22096056 VQBFCKLIYZTXOW-UHFFFAOYSA-N 418.906 3.459 0 40 HGAB Cc1ccc(CN(c2ccc(OCC(=O)NC(C)(C)C)cc2)S(C)(=O)=O)cc1 22231487 YKNJSWQKZSYKPX-UHFFFAOYSA-N 404.532 3.255 0 40 HGAB Cc1cccc(N(CC(=O)N[C@H]2CC(C)(C)Oc3ccccc32)S(C)(=O)=O)c1 22327310 VVULREFPMBKUQN-SFHVURJKSA-N 402.516 3.180 0 40 HGAB CCc1nc2sc([C@@H](c3ccc(Br)cc3)N3CCOCC3)c(O)n2n1 22854203 OTHGIBDVLZJTLS-CQSZACIVSA-N 423.336 3.243 0 40 HGAB CSc1nc2ccc(NS(=O)(=O)c3ccc4c(c3)oc(=O)n4C)cc2s1 22903072 VYDKPMOBKADBIM-UHFFFAOYSA-N 407.498 3.264 0 40 HGAB COc1ccc(CCNC(=O)[C@@H]2CC(=O)N(c3cc(Cl)ccc3OC)C2)cc1 23995066 MCWVHURVTAHPOS-OAHLLOKOSA-N 402.878 3.069 0 40 HGAB COc1ccc(CC(=O)OCC(=O)N(C)Cc2c(F)cccc2Cl)c(OC)c1 24539593 DMJRSVHZUVTHMF-UHFFFAOYSA-N 409.841 3.241 0 40 HGAB Cc1ccc(-n2nc(C)cc2NC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)cc1 24888856 NIDWBVYOYKKMBM-INIZCTEOSA-N 418.453 3.209 0 40 HGAB CCC[C@H](C)NC(=O)c1cc(S(=O)(=O)NCC(C)C)ccc1Br 25241473 HYCDPWOMUSHQEQ-LBPRGKRZSA-N 405.358 3.302 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)Cc2ccc(C)c(OC)c2)cc1 27102881 JPDADJIHMSXGSA-KRWDZBQOSA-N 418.559 3.454 0 40 HGAB O=C(c1cc2ccccc2[nH]1)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@@H]1CCCO1 27287617 JFMSGHSBNXHRNZ-INIZCTEOSA-N 402.454 3.226 0 40 HGAB CCNc1ccc(S(=O)(=O)C(F)(F)F)cc1NS(=O)(=O)c1cccs1 29433457 ZGZNDEBOQSIOEE-UHFFFAOYSA-N 414.452 3.274 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccccc3)CC2)cc1Cl 30333285 HINFIIXARGLCPS-UHFFFAOYSA-N 422.934 3.066 0 40 HGAB Cc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3cccc(OC(F)(F)F)c3)C2=O)cc1 31030968 OIXPPRGYJDFNMP-IBGZPJMESA-N 421.375 3.299 0 40 HGAB COc1ccc2c(C)c(CC(=O)Nc3nnc(C4CC4)s3)c(=O)oc2c1OC 31812997 YUPNDLWFSPDRPZ-UHFFFAOYSA-N 401.444 3.029 0 40 HGAB NC(=O)CCN(C(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1)c1ccccc1 32841204 SLHKPVSWXGZBNQ-UHFFFAOYSA-N 413.905 3.101 0 40 HGAB Cc1cc(C(=O)NCc2ccccc2CN2CCOCC2)c2cnn(C(C)C)c2n1 32859709 BTEHBAXXXUDQBZ-UHFFFAOYSA-N 407.518 3.083 0 40 HGAB CCCCS(=O)(=O)Nc1ccc(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc1 32923879 GGSMGMCKJLCHMP-OAQYLSRUSA-N 415.559 3.233 0 40 HGAB C[C@]1(C2CC2)NC(=O)N(CC(=O)Nc2ccc3[nH]c(-c4ccc(F)cc4)nc3c2)C1=O 32931776 LWWXEZHVSVWUGO-JOCHJYFZSA-N 421.432 3.028 0 40 HGAB Cc1ccc(NC(=O)C[S@](=O)CC(=O)N[C@H]2CCc3ccccc32)cc1Cl 35314116 WQHWDGFZHVFNDA-XRHLQHRESA-N 404.919 3.139 0 40 HGAB COc1ccc(OC)c([C@@H]2CN(Cc3ccccc3)C[C@H]2NC(=O)c2cc(C)no2)c1 36743740 QAXUKWQYLDGXRE-LEWJYISDSA-N 421.497 3.398 0 40 HGAB O=C(c1ccc(Cn2ccnc2)cc1)N1CCN(C(=O)[C@@H]2C[C@H]2c2cccs2)CC1 38732541 LEGWOVZUUFLSEP-WOJBJXKFSA-N 420.538 3.081 0 40 HGAB CC[C@H](C(=O)Nc1ccccc1C(=O)N(CC)CC)N1C(=O)c2ccccc2C1=O 44928688 RPIWFACSBWEMAR-LJQANCHMSA-N 407.470 3.182 0 40 HGAB O=C(/C=C/c1ccc(Br)o1)Nc1cccc(C(=O)N2CCOCC2)c1 49249009 JYUYAUZKPRDMMJ-FNORWQNLSA-N 405.248 3.166 0 40 HGAB COc1ccc(C)cc1-n1ccc(/C(O)=N/S(=O)(=O)c2ccc(F)cc2F)n1 65484426 IOKLSTOOGYAZQF-UHFFFAOYSA-N 407.398 3.161 0 40 HGAB CCN(CC)Cc1cccc(CNC(=O)[C@@H](c2ccccc2)N2CCN(C)CC2)c1 69533585 ZKCJNESGLTUSJJ-XMMPIXPASA-N 408.590 3.133 0 40 HGAB CCOc1ccccc1NC(=O)CN1N=C(c2nc(-c3ccccc3)no2)CCC1=O 71328279 BBXNJKYUZORTBN-UHFFFAOYSA-N 419.441 3.101 0 40 HGAB O=C(NCc1ccccc1F)[C@@H](c1cc(Br)cs1)N1CCOCC1 72306885 GQVZJTQQWGFVOH-MRXNPFEDSA-N 413.312 3.339 0 40 HGAB COc1cccc(-c2cc(C(=O)N3CCN(c4ccc(C(C)=O)cc4)CC3)n[nH]2)c1 72328193 DTZWFFDIDCCYJP-UHFFFAOYSA-N 404.470 3.250 0 40 HGAB NC(=O)c1ccc(-c2cnc(N)nc2[C@@H]2CCCN(C(=O)CC3CCCC3)C2)cc1 72346114 JEXXNORPVUWDOQ-GOSISDBHSA-N 407.518 3.111 0 40 HGAB Cc1nc([C@@H]2CCCN2C(=O)C(C)(C)O)nc2c1CCCN2CCc1ccccc1 72373838 NSAUCEDATRVNDM-FQEVSTJZSA-N 408.546 3.215 0 40 HGAB CO[C@H]1CCC[C@@H](C(=O)N2CCC([C@@H]3C[C@H](C(F)(F)F)n4ncnc4N3)CC2)C1 72395583 YORHETNOHKQTSO-FXUDXRNXSA-N 415.460 3.010 0 40 HGAB Cc1nc2n(n1)CCC[C@H]2NC(=O)CCCc1nc(-c2ccc(Cl)cc2)no1 79048988 ZNHCKSOSTHREAU-OAHLLOKOSA-N 400.870 3.264 0 40 HGAB CC(C)NC(=O)CCn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O 85875786 CZKGKXRHBWYIKW-UHFFFAOYSA-N 400.482 3.489 0 40 HGAB biogenic Cc1cccc(C)c1-n1c(=C(C#N)C#N)s/c(=C\c2ccc(OC(F)F)cc2)c1=O 95950382 JNXIXOQHGKRKIC-ZDLGFXPLSA-N 423.444 3.144 0 40 HGAB CCN1Cc2c(C(=O)Nc3cccc(Cl)c3)ncn2-c2ccccc2S1(=O)=O 96088084 AHWRFLCOTGNDSV-UHFFFAOYSA-N 416.890 3.302 0 40 HGAB CCOc1cccc2s/c(=N/C(=O)CCS(=O)(=O)c3ccc(F)cc3)n(C)c12 101037213 KVRHLZOKNKROFK-XUTLUUPISA-N 422.503 3.069 0 40 HGAB COc1cc([C@H]2CC(c3c(O)oc(C)cc3=O)=NCCS2)cc(OC)c1OC 137816705 NLFRVEKCOFEQGO-QGZVFWFLSA-N 405.472 3.347 0 40 HGAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CCCN1C(=O)c2ccccc2C1=O 219139308 OKDYFIRPABIRTE-IBGZPJMESA-N 422.481 3.490 0 40 HGAB COc1ccccc1CNS(=O)(=O)c1ccc(SC)c(NC(=O)C(C)C)c1 223056661 YHHHDOXJIQEJIX-UHFFFAOYSA-N 408.545 3.490 0 40 HGAB COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)N[C@@H](C)c1cc(C)ccc1C 223170759 MUAJUQMBYPSDNV-KRWDZBQOSA-N 418.559 3.372 0 40 HGAB Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)n1-c1cccnc1 223261257 HXLZQIONRSLRHY-RTWAWAEBSA-N 406.559 3.110 0 40 HGAB CCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)COc1ccc(OC)cc1 224977856 VAVFRANSKKWUJI-QGZVFWFLSA-N 414.502 3.026 0 40 HGAB CN(C)c1ncc(-c2ccc(Cl)cc2)c([C@H]2CCCN(C(=O)Cn3ccnc3)C2)n1 257301119 RXBQZAFSUAWZRV-KRWDZBQOSA-N 424.936 3.466 0 40 HGAB Cc1ccccc1OCCC(=O)N1CCO[C@H](c2cccc(-c3ccc(N)nc3)n2)C1 257305174 SOSJNJRANIHWCK-QFIPXVFZSA-N 418.497 3.403 0 40 HGAB O=S(=O)(Cc1ccc(C(F)(F)F)cc1)Nc1cnn(C[C@@H]2CCCCO2)c1 390828732 TWHGSHQJBWNRQD-INIZCTEOSA-N 403.426 3.413 0 40 HGAB CCCCOC(=O)c1ccc(NC(=O)CN(c2ccc(C)cc2)S(C)(=O)=O)cc1 408614826 IMSSORVYGCZEGA-UHFFFAOYSA-N 418.515 3.357 0 40 HGAB COc1c(F)c(F)c(C(=O)NC(=S)Nc2ccc(N(C)C)cc2)c(F)c1F 408628635 VQAAQPCYPSAKHC-UHFFFAOYSA-N 401.385 3.444 0 40 HGAB COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC(C(=O)N2CCCCC2)CC1 408700259 BYYIIPLFQQXZAB-UHFFFAOYSA-N 408.564 3.232 0 40 HGAB O=S(=O)(c1ccc2nc(O)nc(O)c2c1)N1CCCC[C@H]1c1cc2ccccc2[nH]1 520835566 PMGDJVAZDVOQGE-IBGZPJMESA-N 424.482 3.438 0 40 HGAB O=C(c1ccc(C(F)(F)F)nc1)N1CC[C@@H](c2ccccc2F)S(=O)(=O)CC1 585395802 RDNHPMLPQFHEKJ-HNNXBMFYSA-N 416.396 3.242 0 40 HGAB COc1cc([C@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)O)c3N2)cc(OC)c1OC 718644 KWYRCMJZJUBVFA-MFKMUULPSA-N 401.341 3.267 0 40 HGAB Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccn2)c2cccc(C)c2)cc1 886794 XCEVGYCVBSOXKM-UHFFFAOYSA-N 409.511 3.210 0 40 HGAB COc1ccc(-n2c(SCC(N)=O)nnc2-c2ccc(Br)cc2)cc1 917758 NOUHYVFOFJUFJF-UHFFFAOYSA-N 419.304 3.283 0 40 HGAB Cc1sc(NC(=O)c2ccco2)nc1-c1ccc2c(c1)CCN2S(C)(=O)=O 1366010 WQWJTGMIHVLRSD-UHFFFAOYSA-N 403.485 3.286 0 40 HGAB COc1ccc(C(=O)[C@H](C)[C@H]2[C@H](C(=O)NCc3ccccc3)C(=O)OC2(C)C)cc1 1428224 KKFUILHAZBACCO-YSGRDPCXSA-N 409.482 3.398 0 40 HGAB Cc1cc(I)ccc1NC(=O)CNC(=O)OCc1ccccc1 1446259 OCRJMYSSVFQZBI-UHFFFAOYSA-N 424.238 3.465 0 40 HGAB COc1ccc(CNC(=O)COC(=O)c2ccc(C(=O)c3ccccc3)cc2)cc1 3489257 BTPJICMOVZCABW-UHFFFAOYSA-N 403.434 3.399 0 40 HGAB COc1c2c(cc3c1[C@@H](C[C@H](O)CCc1ccc4c(c1)OCO4)N(C)CC3)OCO2 4042835 SDGLWTATVZQCPU-IAGOWNOFSA-N 413.470 3.065 0 40 HGAB biogenic Cc1cc(NC(=O)[C@H](C)N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@@H]3C2=O)cc(C)c1Br 4553375 SRVMAAVBPGJDNM-IGNRKKQASA-N 419.319 3.424 0 40 HGAB CCC(C)(C)NC(=O)CN(C(=O)CCC(=O)Nc1ccccn1)c1cccc(C)c1 4848230 FTZCRDREAJDAIS-UHFFFAOYSA-N 410.518 3.447 0 40 HGAB COCCN(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C(=O)c1cccc(Cl)c1 4860928 UJNBKLZXSZVYQP-UHFFFAOYSA-N 414.845 3.199 0 40 HGAB Cc1cccc(-n2nc3c(c2NC(=O)Cc2ccc(Cl)cc2)CS(=O)(=O)C3)c1 5078087 MVWMGEXEVIIBFD-UHFFFAOYSA-N 415.902 3.444 0 40 HGAB C[C@@H]1CCCN(C(=O)C(=O)c2cn(CC(=O)N3CCCCCC3)c3ccccc23)C1 5087258 PTEUJZOEEWCMCH-GOSISDBHSA-N 409.530 3.485 0 40 HGAB COc1ccc(C(=O)NCc2ccccc2)cc1S(=O)(=O)N1CCCC[C@H]1C 5557746 YAMPFZPOPJCHSZ-MRXNPFEDSA-N 402.516 3.188 0 40 HGAB COc1ccc(CNC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)cc1 5681161 DKFDQERFVXWGTQ-UHFFFAOYSA-N 402.516 3.190 0 40 HGAB CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)c1cc2c(s1)CCCC2 6123364 VWXDRLRJDYDGFQ-UHFFFAOYSA-N 413.543 3.174 0 40 HGAB Cc1ccccc1C(=O)N1CCN(c2ccc(NC(=S)NC(=O)C(C)C)cc2)CC1 6614607 CKJIWHNRGLQXGO-UHFFFAOYSA-N 424.570 3.426 0 40 HGAB CC1CCC2(CC1)NC(=O)N(CC(=O)N(C)[C@H](C)c1nc3ccccc3s1)C2=O 6842755 CZRJGBTWLZYFBL-YZGUTLMUSA-N 414.531 3.316 0 40 HGAB O=C(/C=C/c1ccccc1F)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 6884345 RNBZLZWNSPEPGY-BJMVGYQFSA-N 408.882 3.025 0 40 HGAB Cc1ccc(C)c(NC(=O)CN(C)C(=O)CNC(=O)c2ccc(C(C)(C)C)cc2)c1 8150666 JLDOTUYTTNHZMQ-UHFFFAOYSA-N 409.530 3.428 0 40 HGAB CCOC(=O)C1CCN(C(=O)CCCN2C(=O)c3cccc4cccc(c34)C2=O)CC1 8476622 CXYVEICXCYYEPC-UHFFFAOYSA-N 422.481 3.018 0 40 HGAB CCCN1C(=O)CCc2cc(NS(=O)(=O)c3ccc(NC(C)=O)cc3)ccc21 8840533 NWWSYBYBVWFRPB-UHFFFAOYSA-N 401.488 3.135 0 40 HGAB Cc1ccc(CNC(=O)[C@@H](Cc2ccccc2)n2c(=O)[nH]c3ccccc3c2=O)cc1 8914235 TZVFPXQCLRQJGW-JOCHJYFZSA-N 413.477 3.098 0 40 HGAB CCC(=O)N1N=C(c2cccc(NS(C)(=O)=O)c2)C[C@@H]1c1ccc2nccnc2c1 8992963 AOYSATGDUKDGRX-HXUWFJFHSA-N 423.498 3.089 0 40 HGAB O=C(NCCC1CCN(Cc2ccccc2)CC1)[C@H]1CCCN(c2ncccn2)C1 9530527 URZRPGQWQMVCJO-QFIPXVFZSA-N 407.562 3.112 0 40 HGAB C[C@H](NC(=O)C(=O)NC[C@@H](c1cccnc1)N1CCc2ccccc21)c1ccccc1 9708090 UXHFHQHVAQQBRI-MBSDFSHPSA-N 414.509 3.179 0 40 HGAB Cn1cccc1C(=O)NC(=O)CSc1nnc(-c2cccs2)n1-c1ccccc1 9716678 NRQDWHSADPSNBE-UHFFFAOYSA-N 423.523 3.383 0 40 HGAB CC(C)c1cc(C(=O)N2CCC[C@H](c3nc4ccccc4cc3C(N)=O)C2)n(C)n1 12220349 YEDZRSFWYWPUTO-INIZCTEOSA-N 405.502 3.210 0 40 HGAB COc1cc(-c2cnc(N3C[C@H](C)O[C@H](C)C3)nc2-c2cccs2)nc(OC)n1 12240467 KDBUEGNZUYFSGL-BETUJISGSA-N 413.503 3.293 0 40 HGAB COc1ccc(CN2CCC3(CC2)CN(C(C)=O)Cc2ccccc2O3)cc1OC 12365521 BRHOCQZTMFXWIU-UHFFFAOYSA-N 410.514 3.480 0 40 HGAB COc1ccccc1-c1noc(CN2CCN(c3ccc(C(C)=O)cc3F)CC2)n1 12536359 ITDNLABWDNAOCM-UHFFFAOYSA-N 410.449 3.409 0 40 HGAB C[C@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)c3cc4c(s3)CCCCC4)CC2)C1 12595350 IAQMLIYFVKMBKO-HDICACEKSA-N 417.619 3.279 0 40 HGAB c1coc(-c2nc(N3CCN4CCC[C@@H]4C3)ncc2-c2ccnc(N3CCCC3)n2)c1 12666758 DILXUJNSPYUSKI-QGZVFWFLSA-N 417.517 3.078 0 40 HGAB CCN(CC)[C@H](CNC(=O)COc1cccc(N2CCCC2=O)c1)c1ccccc1 12819064 HVSMNPVMPATYNA-JOCHJYFZSA-N 409.530 3.392 0 40 HGAB CS(=O)(=O)c1ccccc1NC(=O)COc1ccc(C(=O)c2ccccc2)cc1 12822294 KGSBWMJLWCIOSU-UHFFFAOYSA-N 409.463 3.339 0 40 HGAB COc1ccc([C@@H](C(=O)NCc2ccccc2)N(C(=O)c2csnn2)C2CC2)cc1 12872970 LXGNPBHPHWCYQO-FQEVSTJZSA-N 422.510 3.209 0 40 HGAB Cc1cc(C)n(CCC(=O)N(Cc2ccccc2)Cc2nc3ccccc3c(=O)[nH]2)n1 12888423 GQTBBQOSWWNPPH-UHFFFAOYSA-N 415.497 3.356 0 40 HGAB CCCCNC(=O)CN1CCN(C(=O)CCc2ccc(-c3ccccc3F)o2)CC1 12913810 XTYSOCISUODABA-UHFFFAOYSA-N 415.509 3.079 0 40 HGAB CC(C)(C)c1cc(NC(=O)CN2C(=O)c3ccccc3C2=O)n(Cc2ccccc2)n1 12948873 RZVFVGJFTHFTQB-UHFFFAOYSA-N 416.481 3.464 0 40 HGAB C[C@H]1CCc2nc(NC(=O)CCc3ccc(S(=O)(=O)NC4CC4)cc3)sc2C1 12951910 JRUPGBHIELGYRB-ZDUSSCGKSA-N 419.572 3.280 0 40 HGAB O=C(COC(=O)CNC(=O)c1ccc(Cl)cc1Cl)NC1CCCCCC1 13005908 ACVPBOWDRHOMPG-UHFFFAOYSA-N 401.290 3.105 0 40 HGAB Cc1ccc(S(=O)(=O)CCC(=O)Nc2cc(Cl)ccc2-n2cncn2)cc1 13020602 KFTYLPUFOCVKND-UHFFFAOYSA-N 404.879 3.032 0 40 HGAB CCC(CC)C(=O)N1CCC[C@@H](c2nc(O)c3nnn(Cc4ccccc4)c3n2)C1 13083710 MQMHGXQKSPJYNF-QGZVFWFLSA-N 408.506 3.117 0 40 HGAB CCC[C@H](c1nnnn1Cc1ccc2c(c1)OCO2)N1CCN(c2ccccc2)CC1 13505131 LQZUDICJWOKUNR-HXUWFJFHSA-N 420.517 3.114 0 40 HGAB COc1cc(C(=O)Nc2ccc(Cl)cc2C)c(N(C)S(C)(=O)=O)cc1OC 13582605 YOPYPWRQTXGUHB-UHFFFAOYSA-N 412.895 3.314 0 40 HGAB O=C1/C(=C/Nc2nnc(CCCO)[nH]2)c2ccccc2C(=O)N1c1ccccc1Cl 13636395 UNFWMGRLVWDOPL-NTCAYCPXSA-N 423.860 3.023 0 40 HGAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCCCN3CCCC3)ccc2C)c1 13673415 LOFZBVVAHLYARY-UHFFFAOYSA-N 415.559 3.320 0 40 HGAB CCOC(=O)c1c(C2CC2)csc1NC(=O)CN1C(=O)COc2ccccc21 14199523 LZLQWSUUFPFNEG-UHFFFAOYSA-N 400.456 3.166 0 40 HGAB CC(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCN(S(=O)(=O)C(C)C)C3)cc2N1 19451387 RHIOSNUKLDLTOU-KCQAQPDRSA-N 408.490 3.354 0 40 HGAB CCCOc1c(CN2C[C@@H]3C[C@@H](O)CN3C[C@H]2Cc2ccccc2)cccc1OC 19503808 GZAXKRNQCJBMIL-XPWALMASSA-N 410.558 3.346 0 40 HGAB COc1ccc(OC)c(CN2CCC[C@H](c3nc(-c4ccccn4)cc(=O)[nH]3)C2)c1 19551539 FONXKWCNFFUKNO-INIZCTEOSA-N 406.486 3.229 0 40 HGAB CC1CCN(CC(=O)N2CCC[C@H](N(C)C(=O)c3nccc4ccccc34)CC2)CC1 19749772 FYANTWYEBJXMQB-NRFANRHFSA-N 422.573 3.420 0 40 HGAB CCOC(=O)c1ccc(NC(=O)Cc2cnc(-c3ccc(Cl)cc3)[nH]c2=O)cc1 19937655 GSERRYWQZKDWQV-UHFFFAOYSA-N 411.845 3.448 0 40 HGAB COc1ccc(C)cc1S(=O)(=O)N1CCC(C(=O)Nc2ccc(F)c(F)c2)CC1 20016716 CNSMSSYJJGESEG-UHFFFAOYSA-N 424.469 3.321 0 40 HGAB CC[C@H](NC(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O)c1ccc(C)cc1 20461961 HDCLIVUQCDGHMJ-SFHVURJKSA-N 420.531 3.046 0 40 HGAB CCc1noc(-c2ccccc2NC(=O)[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)n1 21792213 RMQXYVDDAFEZMK-CQSZACIVSA-N 406.442 3.299 0 40 HGAB CC[C@H](C)NC(=O)COc1ccc(N(Cc2ccccc2F)S(C)(=O)=O)cc1 22233387 KEXMKCXPYADCSO-HNNXBMFYSA-N 408.495 3.085 0 40 HGAB Cc1ccc(NC(=O)CSc2nnc3nc(O)c(-c4ccc(F)cc4)nn23)cc1C 22720701 YELAUQWMRGPCNB-UHFFFAOYSA-N 424.461 3.379 0 40 HGAB Cc1cc(NC(=O)Cn2nc(C3CC3)c3cnn(-c4cccc(Cl)c4)c3c2=O)no1 22767965 JXSBXNJVGPNRLO-UHFFFAOYSA-N 424.848 3.048 0 40 HGAB CCc1nc2sc([C@@H](c3cccc(F)c3)N3CCC4(CC3)OCCO4)c(O)n2n1 22854076 DJMNAXBAAVCEPT-MRXNPFEDSA-N 418.494 3.126 0 40 HGAB O=C(CCNC(=O)NC1CCCCC1)NCc1ccc(CN2CCCCC2)cc1 23053360 UBHPYGODINMBKT-UHFFFAOYSA-N 400.567 3.311 0 40 HGAB C[C@H](CC(=O)NCCCN1CCOCC1)CC(=O)Nc1cccc(Cl)c1Cl 23157226 WCEBUCOZJYKVJE-CQSZACIVSA-N 416.349 3.187 0 40 HGAB COc1cccc(CN(C)C(=O)C2CCN(C(=O)c3cccs3)CC2)c1OC 23296659 DXTSYPRTMUIOSH-UHFFFAOYSA-N 402.516 3.276 0 40 HGAB O=C(Nc1ccc(C(=O)N2CCN(CCOc3ccccc3)CC2)cc1)c1ccco1 23642038 QITBHHARSBQMCA-UHFFFAOYSA-N 419.481 3.369 0 40 HGAB O=C(Nc1ccc(N2CCCC2)cc1)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 30605304 AEQCKCDZBMYWJM-GOSISDBHSA-N 413.543 3.326 0 40 HGAB CC(C)CNC(=O)c1ccccc1NC(=O)c1ccc(NS(C)(=O)=O)c(Cl)c1 30871412 HWKOYWZBLUWIKY-UHFFFAOYSA-N 423.922 3.350 0 40 HGAB CCCN(C[C@@H]1COc2ccccc2O1)S(=O)(=O)c1ccc2oc(=O)ccc2c1 32755625 DFULMLUGGMNCFL-MRXNPFEDSA-N 415.467 3.034 0 40 HGAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)CCS(=O)(=O)c1ccc(C)cc1 32768317 LCYVLZYLYPDYNS-INIZCTEOSA-N 402.516 3.326 0 40 HGAB CCn1c(SCC(=O)Nc2cccc(Br)c2)nc2ncccc2c1=O 32876463 ZFOWKRNDHXDSHI-UHFFFAOYSA-N 419.304 3.305 0 40 HGAB CCN(CC(=O)Nc1ccccc1C(F)(F)F)S(=O)(=O)N1C[C@@H](C)C[C@H](C)C1 34868183 QWTMGVUZLRBPFB-KBPBESRZSA-N 421.485 3.189 0 40 HGAB COc1cc(CCC2CCN(C(=O)c3cccc(-n4cnnn4)c3)CC2)cc(OC)c1 40033972 MSHMCEQOJFVDNI-UHFFFAOYSA-N 421.501 3.165 0 40 HGAB CS(=O)(=O)N1CCC(C(=O)N[C@H](c2ccccc2)c2cc3ccccc3o2)CC1 40034525 AKXQEVYZQFUTDT-OAQYLSRUSA-N 412.511 3.310 0 40 HGAB CC(C)(C)c1noc(COC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)n1 40058363 BAGVXEHLZBQSON-UHFFFAOYSA-N 418.453 3.482 0 40 HGAB CN(C)[C@H](CNC(=O)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1)C1CCCCC1 40104760 SIULCVZBHXJITK-WOJBJXKFSA-N 402.539 3.436 0 40 HGAB COc1ccc(N2C[C@H](C(=O)N[C@@H](c3nc4ccccc4[nH]3)C(C)C)CC2=O)cc1 44668974 ASJWYVMIZBEFHV-QVKFZJNVSA-N 406.486 3.438 0 40 HGAB O=C1CCCN1Cc1ccc(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1 44901033 RCBRKHJCNCRAHV-XBXARRHUSA-N 403.526 3.280 0 40 HGAB O=C(Nc1cccc(S(=O)(=O)Nc2ccccc2)c1)[C@@H]1COc2ccccc2O1 46588418 MMOILEKPCGLCRB-FQEVSTJZSA-N 410.451 3.266 0 40 HGAB Cc1ccc(-n2c(=O)c3sccc3n(CC(=O)NCc3ccccc3)c2=O)c(C)c1 57492811 UBSJBJPAXPDLSP-UHFFFAOYSA-N 419.506 3.147 0 40 HGAB COC(=O)c1ccc(NC(=O)Cn2c(-c3cccc(Cl)c3)nc(C)cc2=O)cc1 57526928 SJGIDFQVJWJNNO-UHFFFAOYSA-N 411.845 3.297 0 40 HGAB CCN(CC)c1ccc(NC(=O)N2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)cn1 69566197 YINUDEUODRRHFL-SFHVURJKSA-N 414.485 3.495 0 40 HGAB O=C(NCc1ccncc1)c1cccc(NC(=O)N2CCN(c3ccccc3)CC2)c1 71280305 QMWGKZAFTYSZNY-UHFFFAOYSA-N 415.497 3.366 0 40 HGAB CS(=O)(=O)c1ccc(-c2nnc(C3(c4ccc(F)cc4)CCOCC3)o2)cc1 71889928 GTOLPEXKGKMRJC-UHFFFAOYSA-N 402.447 3.376 0 40 HGAB Cc1ccc([S@@](=O)(=S)OCCCO[S@](=O)(=S)c2ccc(C)cc2)cc1 83411114 HESVPJIYROEOHV-DQEYMECFSA-N 416.611 3.467 0 40 HGAB Cc1ccc(-c2nc(C(=O)Nc3ncnc4c3c(Br)nn4C)cs2)o1 84195532 RJEIXKVRBXCLFF-UHFFFAOYSA-N 419.264 3.403 0 40 HGAB COc1cccc2[nH]cc([C@H](CC(=O)N[C@@H]3CCS(=O)(=O)C3)c3ccccc3)c12 95475463 FXXRUKHTLRVEPL-IAGOWNOFSA-N 412.511 3.002 0 40 HGAB COC(=O)C[C@@H](c1cnn(C)c1)c1oc(CSc2ccccc2)cc(=O)c1O 95479186 PFSOLXPJEPQKQE-INIZCTEOSA-N 400.456 3.066 0 40 HGAB CCOCCOc1ccc(Br)cc1CNc1cccc(C(=O)NC)n1 95945585 SEDXXPHIMDTFTB-UHFFFAOYSA-N 408.296 3.231 0 40 HGAB Cc1ncc(-c2ccccn2)c([C@H]2CC[C@H](CNC(=O)Cc3nonc3C)CC2)n1 100148264 VSALOEWKCRWCJD-CALCHBBNSA-N 406.490 3.171 0 40 HGAB CCOc1ccn(CC(=O)/N=c2\cc(-c3ccc(Cl)cc3)ss2)c(=O)n1 104168166 PBFUHCLGAGJFQQ-KNTRCKAVSA-N 407.904 3.213 0 40 HGAB Cc1cc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)Nc3ccc(Cl)c(Cl)c3)[C@H]4C2=O)no1 106015614 NYEDVTVEGVOBGG-FVQSIRDASA-N 420.252 3.215 0 40 HGAB COC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Br)cc1 113875008 OULMJXXQTIGIPT-UHFFFAOYSA-N 418.696 3.471 0 40 HGAB Cc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4CCCC[C@H]4C3=O)c2)cc1 136286707 MRFCBHPEQGONOO-BGYRXZFFSA-N 420.465 3.470 0 40 HGAB CC[C@@H](C(=O)NCCCc1ccccc1OC)N(c1ccc(F)cc1)S(C)(=O)=O 219111168 OOIGWZCDEVCNKC-IBGZPJMESA-N 422.522 3.128 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)NCC1=CCCCC1 225100007 XPWZQGNPSYRVJU-UHFFFAOYSA-N 420.575 3.419 0 40 HGAB Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)NC[C@@H](C)c3ccccc3)s2)cc1 225138409 FTLSYWKSWXZALF-CQSZACIVSA-N 416.528 3.181 0 40 HGAB C[C@@H]1C[C@@H](C)CN(c2cc(C(F)(F)F)nc(NC(=S)NC[C@@H]3CCCO3)n2)C1 225910105 LRMACFDQZBIZHG-UPJWGTAASA-N 417.501 3.443 0 40 HGAB C[C@]12C[C@@H]3N[C@H]1CCC[C@H]2N(C(=O)CN1CCCCCC1=O)[C@@H]3Cc1ccccc1 257238312 HKKPIXUWTLGUEM-FEFHMDPLSA-N 409.574 3.132 0 40 HGAB COc1ccccc1[C@@H]1CN(C(=O)C2(c3ccccc3F)CCOCC2)CCN1C 257245135 IOEMVGOAWDHFSV-NRFANRHFSA-N 412.505 3.398 0 40 HGAB Cc1cc(C)cc(N([C@H](C)C(=O)N[C@H](C)COc2ccccc2C)S(C)(=O)=O)c1 260455470 UQRGVDHHXOPCDU-RTBURBONSA-N 418.559 3.350 0 40 HGAB COCCNC(=S)Nc1nc(N2CCCCCC2)cc(N2CCCC[C@H]2C)n1 260737786 OIPXWQIPMKOLRO-MRXNPFEDSA-N 406.600 3.169 0 40 HGAB Cn1cc(CNC[C@H]2CC[C@H]3CN(C(=O)c4ccccc4)c4ccccc4CN32)cn1 306135231 OLJKWZVTIQXYAM-PKTZIBPZSA-N 415.541 3.203 0 40 HGAB COc1ccc(CN(C)S(=O)(=O)c2ccc(C)c(C(=O)N3CCCC3)c2)cc1 408589113 DRMZRCNKRBXEKJ-UHFFFAOYSA-N 402.516 3.060 0 40 HGAB COc1ccc(N([C@@H](C)C(=O)NCCSC2CCCCC2)S(C)(=O)=O)cc1 409025258 OSYJMVRWIVSRGY-HNNXBMFYSA-N 414.593 3.032 0 40 HGAB CCn1c(CNC(=O)c2ccccc2)nnc1SCC(=O)N[C@H](C)c1ccccc1 409154635 OTHLHXOBJVHOAC-MRXNPFEDSA-N 423.542 3.198 0 40 HGAB O=C1Nc2ccccc2CC[C@H]1N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 565280206 LORBQSOBXJAGCB-LJQANCHMSA-N 417.431 3.417 0 40 HGAB COc1ccc(Br)c(C(=O)NCc2cccnc2-c2cnn(C)c2)c1 575618114 IITOAYWXMOVDCQ-UHFFFAOYSA-N 401.264 3.183 0 40 HGAB CCc1ccc(-n2c(=O)c3ccccc3n(CC(=O)Nc3ccc(F)cc3)c2=O)cc1 585148581 VTDFMQNUNVCRNO-UHFFFAOYSA-N 417.440 3.493 0 40 HGAB O=C(Nc1ccccc1C(F)(F)F)N1CC(n2nc(-c3ccncc3)ccc2=O)C1 1775973409 ARWRYLMSBHPCGH-UHFFFAOYSA-N 415.375 3.413 0 40 HGAB COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1C 802874 JBONSJDJLINBGH-UHFFFAOYSA-N 400.456 3.327 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC(C(=O)NC3CCCCCC3)CC2)cc1C 813950 WEGVYTSJPYNNLU-UHFFFAOYSA-N 408.564 3.243 0 40 HGAB CCCCOc1ccc(/C=c2/sc3nc(-c4cccnc4)nn3c2=O)cc1OCC 2195424 BKGIAMKHJXOTAN-CPNJWEJPSA-N 422.510 3.338 0 40 HGAB Cc1cccc(-c2nnc(SCC(=O)Nc3ccc(N4CCOCC4)cc3)n2C)c1 4414902 BDVGPTQBGPZLFU-UHFFFAOYSA-N 423.542 3.358 0 40 HGAB NC(=O)NC(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccco1)CCC2 4469883 VGWMVXSLXGJPNN-QBFSEMIESA-N 405.410 3.056 0 40 HGAB CCC(C)(C)NC(=O)CN(C(=O)CCC(=O)Nc1ccccn1)c1ccc(F)cc1 4848247 BXOCWPXAUAFYSG-UHFFFAOYSA-N 414.481 3.277 0 40 HGAB CC(C)[C@@H](OC(=O)C[C@H]1Sc2ccccc2NC1=O)C(=O)NCc1ccccc1 4967080 KVCKDYJGCAHISW-UYAOXDASSA-N 412.511 3.374 0 40 HGAB COC(=O)C1=C(CSc2nnc(C)s2)NC(=O)N[C@H]1c1ccccc1Cl 5018361 CXHLBFPRVYVEMT-ZDUSSCGKSA-N 410.908 3.073 0 40 HGAB C[C@H]1CN(C(=O)COC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)C[C@H](C)O1 5079503 CNGVGDQXYHFENR-GJZGRUSLSA-N 415.873 3.364 0 40 HGAB Cc1ccc(CNC(=O)CSc2nc3ccccc3c(=O)n2C[C@@H]2CCCO2)cc1 5129527 BOQWNRDUJPRZQG-SFHVURJKSA-N 423.538 3.292 0 40 HGAB O=C1CCC(=O)N1CC(=O)N(Cc1cccnc1)c1nc2ccc(Cl)cc2s1 5142047 QVTYNKZXFSJIAG-UHFFFAOYSA-N 414.874 3.027 0 40 HGAB CN(CC(=O)Nc1ccc(N2CCCCC2)cc1)S(=O)(=O)c1ccc(F)cc1 5688252 XZMLPRDIISZYMV-UHFFFAOYSA-N 405.495 3.075 0 40 HGAB COc1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(OC)c(C)c3)C2)c1 6202981 AVYNOMMKDJQVHB-MRXNPFEDSA-N 418.515 3.052 0 40 HGAB CCC(C)(C)C1CCC(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 6548457 CYLYBZMSPAFUMO-UHFFFAOYSA-N 422.591 3.432 0 40 HGAB O=C([C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)N1CCN(c2ccc(F)cc2)CC1 7452424 WLTVXFNSGXYRHF-OAHLLOKOSA-N 401.869 3.181 0 40 HGAB CCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)C(=O)Cc1c[nH]c2ccccc12 7810617 POYGOVXGSIIFDQ-UHFFFAOYSA-N 420.469 3.013 0 40 HGAB Cc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)Nc3ccccn3)cc2)cc1 7990795 UYXCZXVIBKBLFW-UHFFFAOYSA-N 411.483 3.233 0 40 HGAB CC(=O)Nc1cccc(C(=O)N(C)CC(=O)Nc2ccc(Br)cc2C)c1 8423293 VPBKQOGHHOKQME-UHFFFAOYSA-N 418.291 3.427 0 40 HGAB COc1ccc(S(=O)(=O)N[C@@H](C)CCc2ccccc2)cc1C(=O)N1CCCC1 8560439 JSLUUYGKBVXJJI-KRWDZBQOSA-N 416.543 3.231 0 40 HGAB O=C(Nc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1)C1CCC1 8778954 MRMQHBPEKQMHPF-UHFFFAOYSA-N 402.472 3.387 0 40 HGAB COCCCn1cc(C(=O)Nc2nc(C)cs2)c2nn(-c3ccccc3)c(=O)c-2c1 9663167 AEFNBGDKITXJLW-UHFFFAOYSA-N 423.498 3.193 0 40 HGAB O=C(Cc1csc(NC(=O)c2ccco2)n1)NCc1ccc(CN2CCCC2)cc1 9992305 VRXGKXLCGHNWGN-UHFFFAOYSA-N 424.526 3.443 0 40 HGAB O=C(C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)N1CCC[C@@H](C(F)(F)F)C1 10286223 DCLBNPHYTPHRQW-CQSZACIVSA-N 422.444 3.027 0 40 HGAB CC(=O)Nc1cccc(NC(=O)[C@@H](C)N(c2cc(Cl)ccc2C)S(C)(=O)=O)c1 10360093 OSZJBVPECPYATK-CYBMUJFWSA-N 423.922 3.400 0 40 HGAB CC(=O)c1ccc(NCC(=O)Nc2cc3c(cc2Br)OCCO3)cc1 10827509 AQRSJBWCGDSCJE-UHFFFAOYSA-N 405.248 3.474 0 40 HGAB O=C(N[C@H](c1ccccc1)C1CC1)C1CCN(S(=O)(=O)c2ccccc2F)CC1 11212950 XCSBSWOCKUODHF-OAQYLSRUSA-N 416.518 3.494 0 40 HGAB Cc1[nH]c2ccc(C(=O)N3CCC(NS(=O)(=O)c4cccs4)CC3)cc2c1C 11449766 NLAVYPJGBDFSOP-UHFFFAOYSA-N 417.556 3.429 0 40 HGAB Cn1/c(=N\C(=O)[C@H]2COc3ccccc3O2)sc2cc(Br)ccc21 11726302 DTMOMSWLWQBVIK-UFOSLELVSA-N 405.273 3.270 0 40 HGAB Cc1cc(C)n(-c2cccc(CN3CCc4c(N)nc(N5CCCC5)nc4C3)c2)n1 12223002 BNFANZSOVSDHJN-UHFFFAOYSA-N 403.534 3.020 0 40 HGAB CC1=C(C(=O)N2CCOCC2)[C@@H](c2ccc(F)cc2)NC(=S)N1c1ccccc1 12551868 CFNQEVFTMBNTEA-HXUWFJFHSA-N 411.502 3.394 0 40 HGAB CN(Cc1ccsc1)C(=O)CSc1nnc(-c2cccs2)n1CCC(=O)O 12751309 IZMYPGKFEXQSII-UHFFFAOYSA-N 422.557 3.294 0 40 HGAB CC(=O)N1CCCc2cc(S(=O)(=O)N(C)Cc3ccc(OC(F)F)cc3)ccc21 12758564 AVGHZDJQKIVOCC-UHFFFAOYSA-N 424.469 3.408 0 40 HGAB CNC(=O)c1ccc(CNC(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)cc1 12984800 SBYQOHUAGNIKES-LJQANCHMSA-N 414.575 3.380 0 40 HGAB COc1cccc(COC(=O)CCNC(=O)c2ccc(Br)cc2)c1OC 12999722 WDAMFPYNDZYWIN-UHFFFAOYSA-N 422.275 3.330 0 40 HGAB COc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)C2CC2)CC3)cc1Cl 13696993 VWOWQUVLKTUPPY-UHFFFAOYSA-N 406.891 3.449 0 40 HGAB CC(C)CCC[C@@H](C)NC(=O)[C@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1 14245417 VTZSELXEEVBOCE-SJORKVTESA-N 405.564 3.179 0 40 HGAB O=C(O)[C@H]1CC=CC[C@H]1C(=O)Nc1ccn(Cc2ccc(Br)cc2)n1 17082805 GVEFGKUEHIHUSF-CABCVRRESA-N 404.264 3.299 0 40 HGAB COc1ccc2nc(NC(=O)CN3CCN(c4ccc(F)cc4)CC3)sc2c1 18240841 RVCAWAIAZYAEPL-UHFFFAOYSA-N 400.479 3.205 0 40 HGAB CCOC(=O)[C@]1(Cc2cc(-c3ccccc3)no2)CCCN(C(=O)[C@@H]2CCCO2)C1 19529920 BNVHCVBUCPPHEX-REWPJTCUSA-N 412.486 3.235 0 40 HGAB CN(C)C(=O)C1(Cc2ccc(-c3ccncc3)cc2)CCN(C(=O)c2ccno2)CC1 19700132 OLVDWUNJXYVCJL-UHFFFAOYSA-N 418.497 3.290 0 40 HGAB Cc1nn(-c2ccccc2)c(C)c1CCC(=O)N[C@@H]1CC(=O)N(c2ccccc2F)C1 19717242 QBRZSYWWBKOQJR-GOSISDBHSA-N 420.488 3.483 0 40 HGAB Cc1nc(C2CCN(Cc3c(C)nn(C(C)C)c3C)CC2)nc2c1CCC(=O)N2C 19739354 FSVJDEQXUVVMBH-UHFFFAOYSA-N 410.566 3.468 0 40 HGAB CCN(CC)C(=O)CN1CCCC[C@@H]1c1nc(C)ncc1C(=O)Nc1ccccc1 19766922 JYPCYZWJFBVIGL-HXUWFJFHSA-N 409.534 3.433 0 40 HGAB O=C(CCSc1nnnn1-c1ccc(C(=O)O)cc1)Nc1ccccc1Cl 19853327 CQOKCHCBEPPSOC-UHFFFAOYSA-N 403.851 3.135 0 40 HGAB CCOc1ccccc1CNS(=O)(=O)c1ccc(OC)c(Br)c1 20482211 JEUCPTZPXBZPBN-UHFFFAOYSA-N 400.294 3.335 0 40 HGAB COc1ccc(S(=O)(=O)NC[C@H](c2cn(C)c3ccccc23)N(C)C)cc1Cl 21696223 ZBMCSVKVDWAAEL-LJQANCHMSA-N 421.950 3.422 0 40 HGAB Cc1cc2oc(C(=O)NC[C@@H](c3ccco3)N3CCOCC3)cc(=O)c2cc1Cl 21805988 STSFOHGMEAJDLV-INIZCTEOSA-N 416.861 3.151 0 40 HGAB COc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H](C)c2cc(C)c(C)cc2C)cc1 22536020 HMXPUAYFLLZXFQ-QGZVFWFLSA-N 404.532 3.118 0 40 HGAB O=C(NC1CCCCC1)C1CCN(S(=O)(=O)Cc2c(F)cccc2Cl)CC1 24613254 QFPFOEYAYKYTSU-UHFFFAOYSA-N 416.946 3.470 0 40 HGAB C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)S(=O)(=O)c1ccc2c(c1)CCCC2 24776458 WRVWKVNVTJGZOY-HNNXBMFYSA-N 407.557 3.351 0 40 HGAB O=C(Nc1ccc(CNS(=O)(=O)c2ccc3oc(=O)ccc3c2)cc1)c1ccco1 25672448 VBVUAVWDENDGJN-UHFFFAOYSA-N 424.434 3.117 0 40 HGAB O=C(CN1CCC(NC(=O)NCCc2c[nH]c3ccccc23)CC1)Nc1ccccc1 26283329 QEDHUEYFFKOZIX-UHFFFAOYSA-N 419.529 3.113 0 40 HGAB Cc1nn(CC(C)C)c(C)c1CC(=O)NCCNC(=O)c1ccc(C(F)(F)F)cc1 27242097 CHLNOGVWKLWGBW-UHFFFAOYSA-N 424.467 3.263 0 40 HGAB O=C(CCNS(=O)(=O)c1ccc2c(c1)CCCC2)N[C@H]1CCCc2ccccc21 28644012 JJTGPGPJYFDLFU-QFIPXVFZSA-N 412.555 3.428 0 40 HGAB COc1ccc(Br)cc1CN(C)C(=O)c1ccccc1S(C)(=O)=O 30917158 FLSKIMCKCYBVBX-UHFFFAOYSA-N 412.305 3.133 0 40 HGAB COc1ccc([C@@H]2c3cc4c(cc3O[C@H](N3CCOCC3)[C@@H]2C)OCO4)cc1OC 31860830 ZPZCSHSXNVEFPP-AUDZJJNUSA-N 413.470 3.251 0 40 HGAB Cc1cc(C)nc(SCC(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)n1 32524492 CWAQXULKPUEHRM-UHFFFAOYSA-N 415.544 3.271 0 40 HGAB CSCC[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N1C[C@H](C)O[C@@H](C)C1 32975467 WGAAIXPZHBSAAV-MQIPJXDCSA-N 419.374 3.481 0 40 HGAB COc1ccc(-c2noc(CCCC(=O)Nc3ccccc3C(=O)O)n2)cc1OC 33000119 LMYLFLIVEJFMEW-UHFFFAOYSA-N 411.414 3.413 0 40 HGAB COc1cc(CNC(=O)c2nc(SC)ncc2Cl)ccc1OC[C@@H]1CCCO1 36396038 NNTPLNCGRGOYCS-ZDUSSCGKSA-N 423.922 3.348 0 40 HGAB Cc1cccc(NC(=O)C2CCN([C@@H](C)C(=O)N3CCc4sccc4C3)CC2)n1 40154615 OAWLGOGNLHBUAS-INIZCTEOSA-N 412.559 3.075 0 40 HGAB CN1C(=O)c2ccccc2[C@@H](C(=O)NCc2cccnc2)[C@H]1c1ccc2c(c1)OCO2 40267921 LGFDVHZETKFAGF-FGZHOGPDSA-N 415.449 3.037 0 40 HGAB CN(Cc1ccc(F)c(F)c1)C(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccs1 48019909 WIXDLQNNEGNCNB-INIZCTEOSA-N 414.499 3.228 0 40 HGAB CC(=O)N[C@H](CC(=O)N1CCN(Cc2ccccc2F)CC1)c1ccc(Cl)cc1 48363110 RJLSCOIRNZPCRZ-OAQYLSRUSA-N 417.912 3.391 0 40 HGAB COC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1 58168015 ACIGVWYIECALCB-GFCCVEGCSA-N 417.259 3.227 0 40 HGAB COc1ccc(N(C(=O)CN(C)S(=O)(=O)c2cccs2)[C@@H](C)C2CC2)cc1 58441524 TZYNNDZQIVQJKP-AWEZNQCLSA-N 408.545 3.209 0 40 HGAB CCC(=O)N(C)c1nc2ccccc2n(CC(=O)Nc2ccc(Cl)cc2C)c1=O 64987575 WYQNABDZEIOXQB-UHFFFAOYSA-N 412.877 3.370 0 40 HGAB CCc1noc(-c2ccnc(-n3cnc(C(=O)NCc4cccc(Cl)c4)c3)c2)n1 65250915 XLVBONDBHKXTML-UHFFFAOYSA-N 408.849 3.463 0 40 HGAB COc1ccc(CNC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2C(C)C)cc1 67236062 RSCAMOGKBMXHQO-UHFFFAOYSA-N 400.504 3.031 0 40 HGAB O=C(NCCc1cccs1)c1cn(-c2ccc(-c3nc(C4CC4)no3)cn2)cn1 71768293 IPNJRRRPRKDHGG-UHFFFAOYSA-N 406.471 3.229 0 40 HGAB O=C(O)[C@H]1COC2(CCN(Cc3ccccc3)CC2)N1C(=O)c1ccccc1Cl 71980567 XXTFNKVCSFSVPG-LJQANCHMSA-N 414.889 3.258 0 40 HGAB CC(C)c1noc(-c2ccnc(N3CCN(CC(=O)Nc4ccc(F)cc4)CC3)c2)n1 78903571 FRMCSEPNFMDTAI-UHFFFAOYSA-N 424.480 3.155 0 40 HGAB CCCC[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1ccc(CCNC(C)=O)cc1 79098764 FLXYYMMGPQVYPQ-LJQANCHMSA-N 405.539 3.179 0 40 HGAB COc1nc(C(=O)N2CCC[C@@H](C(=O)Nc3cccc(C)n3)C2)cc2ccccc12 84229571 HNIHOVDXECWEOZ-QGZVFWFLSA-N 404.470 3.438 0 40 HGAB CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)c1nc(C(F)(F)F)cs1 95428380 XKZBDWCWWPGBIM-UHFFFAOYSA-N 400.426 3.073 0 40 HGAB O=C1NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccc(C(=O)O)cc2)cc1 95471410 SJOIPGHKUZDCPC-KGENOOAVSA-N 414.417 3.425 0 40 HGAB Cc1ccc(-c2nnc(S)n2CC(=O)NC[C@](C)(O)c2ccccc2Cl)cc1 95943427 WHMLXPBNSXFILC-FQEVSTJZSA-N 416.934 3.220 0 40 HGAB C[C@@](O)(CNS(=O)(=O)c1ccc2c(c1)CCO2)c1ccc(-c2ccccc2)cc1 96025769 OKCSSTFMWYLFQL-HSZRJFAPSA-N 409.507 3.475 0 40 HGAB Cc1ccc(CNC(=O)C2=NO[C@]3(CCCN(C(=O)CCc4ccccc4)C3)C2)cc1 96074450 QWUJBACEUVEETQ-RUZDIDTESA-N 419.525 3.382 0 40 HGAB O=C(COc1ccc2occ(-c3ccc(Cl)cc3)c2c1)N[C@H]1CCS(=O)(=O)C1 96118702 RKOMWLMTRFVXQL-HNNXBMFYSA-N 419.886 3.435 0 40 HGAB Nc1cc(=O)nc(SCC(=O)Nc2ccc(F)cc2)n1-c1ccccc1Cl 97962246 OZHPESXAORVQSC-UHFFFAOYSA-N 404.854 3.338 0 40 HGAB COc1ccc2c(c1)CCCN2C(=O)CS[C@H]1CC(=O)N(c2ccccc2)C1=O 102427962 YWGRPDMPLKREOM-IBGZPJMESA-N 410.495 3.040 0 40 HGAB CCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)COc1ccc(OC)cc1 223683431 TXXQDRJRANZLFN-OAHLLOKOSA-N 404.894 3.281 0 40 HGAB CC(C)(C)c1ccccc1OCCNC(=O)CN(c1cccc(F)c1)S(C)(=O)=O 223685423 STFXKMMCXXIKIK-UHFFFAOYSA-N 422.522 3.084 0 40 HGAB CSc1ccc(S(=O)(=O)N2CC(=O)Nc3ccccc32)cc1NC(=O)C(C)C 224042283 VLEMGTSLPQZRMA-UHFFFAOYSA-N 419.528 3.150 0 40 HGAB CCOc1cccc(N(CC(=O)OC)S(=O)(=O)c2ccc(OC)c(Cl)c2)c1 224967696 WJJZSOCVUBAKSN-UHFFFAOYSA-N 413.879 3.116 0 40 HGAB CC(C)OCCCNS(=O)(=O)c1ccc2c(c1)sc(=O)n2Cc1ccccc1 225743515 ZPMRVHDBCLEMIS-UHFFFAOYSA-N 420.556 3.205 0 40 HGAB COc1cccc(-c2noc(CCC(=O)N3CCN(c4ccc(F)cc4)CC3)n2)c1 225824699 DRDQSXFDHBVERA-UHFFFAOYSA-N 410.449 3.166 0 40 HGAB CCS(=O)(=O)N(C)c1ccc(C(=O)N2CCc3cc(Br)ccc32)cc1 225964483 JKENWOFKHVHEBA-UHFFFAOYSA-N 423.332 3.438 0 40 HGAB CCc1ccc(N(CN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@H]3C2=O)C(=O)C(F)(F)F)cc1 226401587 RFOFHNPTHLVBIS-BLONOQDTSA-N 418.415 3.155 0 40 HGAB O=C(Cn1c2c(c(=O)n(C34CC5CC(CC(C5)C3)C4)c1=O)CCC2)Nc1ccccc1 226820733 OGMFAEWFHFVCAI-UHFFFAOYSA-N 419.525 3.063 0 40 HGAB COc1ccc(S(=O)(=O)NC[C@](O)(c2ccsc2)c2ccco2)cc1Cl 253473033 RCCHDGYJIARZEW-KRWDZBQOSA-N 413.904 3.218 0 40 HGAB COc1ccccc1[C@@H](C)NC(=O)[C@H](C)N(c1cc(C)ccc1OC)S(C)(=O)=O 260767902 QMFZSXNCWDUEBU-CVEARBPZSA-N 420.531 3.044 0 40 HGAB COc1cccc(N([C@H](C)C(=O)NCc2ccc3ccccc3c2)S(C)(=O)=O)c1 260840281 UIRIFIBRRIGGHW-MRXNPFEDSA-N 412.511 3.319 0 40 HGAB Cc1ccc(CN2CCOC[C@@]3(CC[C@@H](CNC(=O)c4ccc(C)cc4)O3)C2)cc1 306135789 PAXKMWPDJXWEKB-UKILVPOCSA-N 408.542 3.483 0 40 HGAB CCOc1ccccc1NC(=O)c1ccc(OCC)c(S(=O)(=O)NC(C)C)c1 408700950 OVRDKYUYLISFDF-UHFFFAOYSA-N 406.504 3.423 0 40 HGAB CCOC(=O)c1cnc2cc3c(cc2c1N1CC[C@@H](OCc2ccccn2)C1)OCO3 534795647 IWTWJMFCSFYQRE-MRXNPFEDSA-N 421.453 3.331 0 40 HGAB COCCOc1cc(CN(C)C[C@H](O)COc2ccc(C)cc2C)ccc1OC 585262493 FTDJUZXEDTZFLE-FQEVSTJZSA-N 403.519 3.209 0 40 HGAB Cn1c2ccc(Br)cc2c2nnc(SCC(=O)NC3CCCC3)nc21 585655854 HYWABIVJYXSCLB-UHFFFAOYSA-N 420.336 3.430 0 40 HGAB Cc1c(C(=O)Nc2ccnn2[C@@H]2CCCc3ccccc32)cnn1-c1ccc(O)nn1 589497310 SDZOWKFDVIHUNA-GOSISDBHSA-N 415.457 3.051 0 40 HGAB O=C1C[C@@H]2CCN(C3COC3)C[C@@H]2CCOc2ccc(C3CCOCC3)cc2N1 1534646740 SATOBSSTLPOHFG-OALUTQOASA-N 400.519 3.029 0 40 HGAB C[C@@](O)(CNC(=O)C(F)(F)c1ncccc1Br)c1cccc(F)c1 1596689847 UJFRNQLHXMQXIA-OAHLLOKOSA-N 403.198 3.099 0 40 HGAB COCCN1CC[C@@]2(CN(C(=O)c3cccc(Cl)c3)C[C@@H]2c2ccccc2)C1=O 2055772962 CRSCSLZADUAZHO-OFNKIYASSA-N 412.917 3.445 0 40 HGAB Cc1cc(NC(=O)CSc2nnc(-c3ccncc3)n2C)n(-c2ccccc2)n1 1035414 JKBMYASOAAMGDI-UHFFFAOYSA-N 405.487 3.102 0 40 HGAB Cc1cc(NS(=O)(=O)c2ccc(NC(=O)NC3CCCCC3)cc2)nc(C)n1 1516971 QCCMLOIPYFTKSA-UHFFFAOYSA-N 403.508 3.348 0 40 HGAB Cc1cc(NC(=O)CSc2nnc([C@@H](C)N(C)C)n2-c2ccc(F)cc2)no1 2620823 XBULRTYASXPCQP-GFCCVEGCSA-N 404.471 3.056 0 40 HGAB COc1ccc(-n2nc3c(c2NC(=O)[C@@H](C)Oc2ccccc2)C[S@@](=O)C3)cc1 2724881 AIPWHTPKIHUETD-ONSXPEOJSA-N 411.483 3.049 0 40 HGAB COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)NCc2ccco2)cc1 3333974 LHJWTSGHTWXBCV-UHFFFAOYSA-N 400.456 3.043 0 40 HGAB O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)NCc1ccc(Cl)cc1Cl 3463766 OIRFVYPOSHOFNL-HXUWFJFHSA-N 418.280 3.003 0 40 HGAB CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccco3)N3CCCCC3)cc2c1 4234460 DCMLFNULEXXCOY-OAQYLSRUSA-N 418.501 3.294 0 40 HGAB Cc1ccc2c(c1)cc(CN(Cc1ccc3c(c1)OCO3)C(=O)C1CC1)c1nnnn12 4878850 IOPCYJMXIGRMTL-UHFFFAOYSA-N 415.453 3.253 0 40 HGAB O=C(Cn1nc(-c2ccc(Br)cc2)ccc1=O)N1CCc2ccccc21 5398057 QTRVNLDIFLMMNI-UHFFFAOYSA-N 410.271 3.262 0 40 HGAB COc1cc(Cl)c(C)cc1N1C(=O)C[C@H](Nc2cc(C(=O)O)ccc2C)C1=O 6831577 AVYPKYGRKYPXPA-HNNXBMFYSA-N 402.834 3.408 0 40 HGAB Cc1ccc(NC(=O)CN2C[C@@H](C(=O)N3CCCCC3)Oc3ccccc32)cc1F 7252016 HHRAWZWOHGIUFW-NRFANRHFSA-N 411.477 3.353 0 40 HGAB CCS(=O)(=O)N1CCc2cc(C(=O)CSc3ncnc4ccccc34)ccc21 7425020 CFCWXYPYBARJIA-UHFFFAOYSA-N 413.524 3.317 0 40 HGAB COc1cccc(NC(=O)[C@@H](C)N(C)CC(=O)Nc2cc(Cl)ccc2OC)c1 7777809 RHLCQGMOSIIPAT-CYBMUJFWSA-N 405.882 3.255 0 40 HGAB COc1ccccc1NC(=O)CCCC(=O)OCC(=O)Nc1cccc(C(C)=O)c1 8417352 RKNRJEUNQSVPNX-UHFFFAOYSA-N 412.442 3.189 0 40 HGAB O=C(N[C@]1(C(F)(F)F)N=C(O)N(c2ccc(F)cc2)C1=O)c1ccc(Cl)cc1 9087074 UIGDEZOOJGQVNV-INIZCTEOSA-N 415.730 3.428 0 40 HGAB Cn1c(=O)n(Cc2ccc(Cl)cc2)c(=O)c2c1nc1n2CCCN1c1ccccc1 9210751 XWILJDNXTJOXKU-UHFFFAOYSA-N 421.888 3.140 0 40 HGAB Cc1nnc(NC(=O)CSc2ncnc3c2cnn3-c2cccc(Cl)c2)s1 9517727 HCERJZBSPUKBQU-UHFFFAOYSA-N 417.907 3.360 0 40 HGAB CCOc1ccc(C(=O)NCCn2nc(-c3ccc(OCC)cc3)ccc2=O)cc1 9844337 PWSFZMOHOAFQTE-UHFFFAOYSA-N 407.470 3.138 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccccc3F)C2)cc1C 9974520 MJPLQRITGWMPNY-HNNXBMFYSA-N 406.479 3.182 0 40 HGAB O=C1c2ccccc2C(=O)N1CC(=O)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 10786319 MEJLWOKAQJBYQS-AWEZNQCLSA-N 421.478 3.105 0 40 HGAB CCN(CC)C(=O)CN1CCC[C@@H]2CN(C(=O)c3cccc(C(F)(F)F)c3)C[C@@H]21 12188371 YVKVRBHSLGFWIM-AEFFLSMTSA-N 411.468 3.110 0 40 HGAB COc1ccc(CCNC(=O)c2cc(N3CCCCS3(=O)=O)ccc2Cl)cc1 12195473 MNNGVMUHOOEJGE-UHFFFAOYSA-N 422.934 3.251 0 40 HGAB O=C(O)[C@H]1CC=CC[C@H]1C(=O)Nc1ccccc1S(=O)(=O)Nc1ccccc1 12548392 YCUKIVQMRMHCPU-CVEARBPZSA-N 400.456 3.093 0 40 HGAB CN1C(=O)c2ccc(NC(=O)CSc3ccc(Br)cc3)cc2C1=O 12735156 ZMYFVMKPCCFIOW-UHFFFAOYSA-N 405.273 3.406 0 40 HGAB O=C(NC1CC1)c1cccc(NC(=O)[C@H]2CCCN(C(=O)c3ccc(F)cc3)C2)c1 12864931 HVEGCJKNVLIJRI-KRWDZBQOSA-N 409.461 3.209 0 40 HGAB COc1cc(OC)c2c(C)c(CC(=O)Nc3ccc(OC)c(OC)c3)c(=O)oc2c1 12899325 HWXBSRDVNDRBNT-UHFFFAOYSA-N 413.426 3.317 0 40 HGAB biogenic COc1cc(C(=O)Nc2ccc(S(C)(=O)=O)cc2)cc(OC)c1Br 12911019 ULGCYBHNHSFAKA-UHFFFAOYSA-N 414.277 3.122 0 40 HGAB COc1ccc(S(=O)(=O)NCc2ccc(CN3CCC(C)CC3)cc2)cc1OC 12943973 PDOWKSQGAVHAKJ-UHFFFAOYSA-N 418.559 3.414 0 40 HGAB CCOc1cc2c(cc1OCC)CN(C(=O)COc1ccc3c(c1)CCC(=O)N3)CC2 12989997 IAHYLMSXLFTFDC-UHFFFAOYSA-N 424.497 3.332 0 40 HGAB O=C(Nc1cc(-c2ccccc2)nn1[C@@H]1CCS(=O)(=O)C1)c1cccc(Cl)n1 13692428 DIBPCRRARNQICT-CQSZACIVSA-N 416.890 3.210 0 40 HGAB COCCN1COc2ccc3c(=O)c(Oc4ccc(C(=O)OC)cc4)coc3c2C1 13719379 ILTHVKRPMNWGPM-UHFFFAOYSA-N 411.410 3.170 0 40 HGAB biogenic O=C(COc1ccc2nc3n(c(=O)c2c1)CCC3)NCc1ccc(Cl)c(Cl)c1 13726025 PYPCXYXWDXQQIF-UHFFFAOYSA-N 418.280 3.345 0 40 HGAB C[C@@](O)(CC(=O)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2)C(F)(F)F 14113799 BKFOYUFYQUZWKB-GOSISDBHSA-N 410.348 3.310 0 40 HGAB CC(=O)N1CCC(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)CC1 15091386 KZXPEFMUZMJBFK-UHFFFAOYSA-N 406.461 3.419 0 40 HGAB CCOC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]3CCCN3[C@@]23C(=O)Nc2ccccc23)cc1 16027017 RKQZVYFIUMOCFC-YIGJPRQDSA-N 419.481 3.134 0 40 HGAB biogenic Cn1cc(-c2ccnc(N3CCCC3)n2)c([C@H]2CCCN2C(=O)[C@H]2CC=CCC2)n1 19290190 JWVHYTZPXYHBFE-FXAWDEMLSA-N 406.534 3.497 0 40 HGAB O=C(c1ccccn1)N1Cc2ccccc2OC2(CCC(N3CCOCC3)CC2)C1 19375584 PJZAHWUQUSRJTI-UHFFFAOYSA-N 407.514 3.130 0 40 HGAB CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCCN3C(=O)c3ccn(C)c(=O)c3)cc2N1 19520750 YWVVIISDHIUHOG-FVQBIDKESA-N 423.439 3.257 0 40 HGAB CN(C)c1ncc(-c2ccc(C(N)=O)cc2)c([C@@H]2CCCN2C(=O)C2CCCC2)n1 19689427 VGLUEPHEHAQXJY-IBGZPJMESA-N 407.518 3.162 0 40 HGAB Cc1nn(C)cc1C(=O)N1CCC[C@H](c2nc(N(C)C)ncc2-c2ccccc2F)C1 19694062 GBPVUXCQYJTJFV-INIZCTEOSA-N 422.508 3.410 0 40 HGAB COc1ccc(Cl)cc1NC(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 19930620 WUWXKVBMYMTADO-UHFFFAOYSA-N 408.907 3.361 0 40 HGAB CCOC(=O)c1ccc(NS(=O)(=O)Cc2ccc(C(=O)OC)cc2)c(Cl)c1 20492873 DXJLUGVZUPBFNJ-UHFFFAOYSA-N 411.863 3.245 0 40 HGAB COc1cc2c(cc1OC)C(=O)[C@H]([C@@H]1c3c(cc4c(c3OC)OCO4)CCN1C)C2 20759384 RJQXXRSHMDJYGT-MGPUTAFESA-N 411.454 3.025 0 40 HGAB biogenic Cc1nc(NC(=S)NC(=O)c2ccc3nsnc3c2)ccc1Br 21595317 SWJRWTQLQDNMTG-UHFFFAOYSA-N 408.306 3.284 0 40 HGAB Cc1ccccc1OCCN(C)CC(=O)NCC(=O)Nc1cccc(Cl)c1C 21672828 NSBSJGFXTQDKPT-UHFFFAOYSA-N 403.910 3.022 0 40 HGAB CC(C)[C@@H](NS(=O)(=O)c1cccs1)C(=O)NCc1cccc(C(F)(F)F)c1 21872794 ZIFQBTOJBXMVRL-OAHLLOKOSA-N 420.478 3.386 0 40 HGAB CCOc1cccc(N(CC(=O)N[C@@H](C)c2cc(C)ccc2C)S(C)(=O)=O)c1 22400896 ODZTUSMPUSASFZ-KRWDZBQOSA-N 404.532 3.346 0 40 HGAB O=C([C@H]1CCCC[C@@H]1C(=O)N1CCc2ccccc21)N1CCN(c2nccs2)CC1 23007700 QXBNBFWQUCIDPB-OALUTQOASA-N 424.570 3.187 0 40 HGAB CSc1ccc(S(=O)(=O)NCc2cccnc2)cc1C(=O)N1CCCCCC1 26120059 BGPSMKCLJZBOLR-UHFFFAOYSA-N 419.572 3.298 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N(C)Cc2ccccc2)c(C)c1 28207747 SEMVEFBZCNVDFL-UHFFFAOYSA-N 404.532 3.063 0 40 HGAB Cc1ccc(-n2nc(C)cc2NC(=O)Cn2cnc3ccc(Cl)cc3c2=O)cc1 31741083 SWCFKGCEPZSNDS-UHFFFAOYSA-N 407.861 3.491 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)c2cc3ccc(C)cc3[nH]2)c1 32760010 VXOBSUJVTIBWHL-UHFFFAOYSA-N 401.488 3.465 0 40 HGAB C[C@@H](CNS(=O)(=O)c1ccccc1Br)N1CCc2sccc2C1 32825754 BUAFODCHZAGIQZ-LBPRGKRZSA-N 415.378 3.236 0 40 HGAB COc1cc(OC)c(C2=CCN(CCC(=O)Nc3cc(C)on3)CC2)c(OC)c1 32860124 TZRJAFQJEDHSIU-UHFFFAOYSA-N 401.463 3.127 0 40 HGAB CCN(CC(=O)Nc1cc(-c2ccc(C)cc2)no1)Cc1nc2ccccc2c(=O)[nH]1 35268029 LLGASBMTQYFWQE-UHFFFAOYSA-N 417.469 3.347 0 40 HGAB CCOc1ccc(C(=O)C2CCN(Cc3nnnn3Cc3ccccc3)CC2)cc1 35314503 TUOUWFYHVLXXMR-UHFFFAOYSA-N 405.502 3.215 0 40 HGAB Cc1ccc(CN(C(=O)C2=C(c3ccccc3)S(=O)(=O)CCO2)c2ccccn2)o1 35673191 ZLXCFHLOYDRKNM-UHFFFAOYSA-N 424.478 3.330 0 40 HGAB COC(=O)[C@@H](CC(C)C)NC(=O)N1CCc2[nH]cnc2[C@@H]1c1ccc(Cl)cc1 36601696 KRDDYXMIHOBXHX-AEFFLSMTSA-N 404.898 3.308 0 40 HGAB Cc1cc(C)n([C@H](C)CCNC(=O)c2cc(-c3cnn(C)c3)nc3onc(C)c23)n1 36619029 ZTHBDECSIFAYAW-CYBMUJFWSA-N 407.478 3.126 0 40 HGAB CC(=O)Nc1cc(C)nn1-c1ccc(NS(=O)(=O)c2ccc(C(C)=O)cc2)cc1 36833254 RYYDFRIQOMJTOT-UHFFFAOYSA-N 412.471 3.143 0 40 HGAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cccc([C@@]2(C)NC(=O)NC2=O)c1 40117762 HDNRCYUJFHXQAR-HXUWFJFHSA-N 401.850 3.191 0 40 HGAB Cc1oc(C)c(S(N)(=O)=O)c1C(=O)NCCC(c1ccccc1)c1ccccc1 40143516 RIXCBVNXSOPYHA-UHFFFAOYSA-N 412.511 3.496 0 40 HGAB CC(C)N(CCCNC(=O)c1ccc2[nH]c3c(c2c1)CCCCC3)S(C)(=O)=O 40154762 XGNGHVCOFKKAQD-UHFFFAOYSA-N 405.564 3.227 0 40 HGAB CC[C@H](C)n1c(=O)c2ccccc2n(CC(=O)NCc2ccc(F)cc2Cl)c1=O 44840896 LJZYGYMJAKFUPD-ZDUSSCGKSA-N 417.868 3.243 0 40 HGAB CCOc1ccc(NC(=O)Cn2c(COc3ccc(OC)cc3)nc(C)cc2=O)cc1 51319330 WYPPQSZMUDFDPI-UHFFFAOYSA-N 423.469 3.177 0 40 HGAB Cc1ccc(-n2c(=O)c3sccc3n(CC(=O)N3CCCC[C@@H]3C)c2=O)cc1C 57491100 KGRKTDVBLNNVCC-INIZCTEOSA-N 411.527 3.232 0 40 HGAB Cc1sc2ncn(CCC(=O)N3C[C@@H](C)O[C@H](c4ccccc4)C3)c(=O)c2c1C 58429055 ATNOICPPEDLUII-KDOFPFPSSA-N 411.527 3.454 0 40 HGAB CN(Cc1nc(-c2cccnc2)no1)S(=O)(=O)c1ccc(Cl)c2ncccc12 72314018 VDYQBCIGMCJXFH-UHFFFAOYSA-N 415.862 3.154 0 40 HGAB Cc1cc(C)n2ncc(C(=O)N3CCC[C@H]([C@@H]4CC(=O)c5cc(F)ccc5O4)C3)c2n1 72396499 ULFNNBRIXRBFGZ-BTYIYWSLSA-N 422.460 3.371 0 40 HGAB CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)NCCc1csc(CC)n1 78938385 NUQRSCMMILVREU-UHFFFAOYSA-N 417.579 3.220 0 40 HGAB CCC[C@H](C(=O)N[C@@H]1CCc2c(O)cccc21)N1CCN(C(=O)OC(C)(C)C)CC1 78971973 INCBAPQXAZRLIM-RTBURBONSA-N 417.550 3.217 0 40 HGAB Cc1cc(C)c(S(=O)(=O)N2CCC[C@H]2C(=O)OCc2nc(C)c(C)o2)c(C)c1 84074877 RERZXTLMHARLSU-KRWDZBQOSA-N 406.504 3.113 0 40 HGAB CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)NCC1(c3cccs3)CCOCC1)C(=O)C2 96120244 HSBXXXDBUFGHOQ-YWZLYKJASA-N 411.589 3.111 0 40 HGAB CCCCOC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1S(=O)(=O)c1ccc2c(c1)OCCO2 97133652 BKBJDHMCCQWNOZ-SZMVWBNQSA-N 423.531 3.123 0 40 HGAB CCOCCn1/c(=N/C(=O)c2sc(C)nc2C)sc2cc(C(=O)OC)ccc21 100873772 WCOOLRSBYHHWSQ-VZCXRCSSSA-N 419.528 3.340 0 40 HGAB CCOc1ccc(N([C@@H](CC)C(=O)N2CCc3ccccc3C2)S(C)(=O)=O)cc1 220666483 TUIWBOHISXHVQM-NRFANRHFSA-N 416.543 3.215 0 40 HGAB Cc1ccc(OC[C@@H](C)NC(=O)c2cc(N(C)S(C)(=O)=O)ccc2Cl)cc1 222505139 JRAVKLIACKLNRO-CQSZACIVSA-N 410.923 3.242 0 40 HGAB COCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1 222769038 UOQPAVPIKLELNW-QGZVFWFLSA-N 402.922 3.453 0 40 HGAB CCOC(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccc(OC)c(OC)c1 224802189 HWHMLDMSHWXMJV-UHFFFAOYSA-N 407.488 3.079 0 40 HGAB CC(C)n1c(=O)sc2cc(NS(=O)(=O)c3ccc4c(c3)OCCO4)ccc21 225147529 JRESCTYXCWMKAN-UHFFFAOYSA-N 406.485 3.216 0 40 HGAB O=C(Nc1ccc(F)cc1Br)c1cn(C[C@H](O)c2ccsc2)nn1 225582889 HNGHSYITQBYGSS-AWEZNQCLSA-N 411.256 3.227 0 40 HGAB CCCNC(=S)Nc1nc(Sc2ncccn2)cc(N2CCC[C@@H](C)C2)n1 225885990 GKVLCTYIHSMRDM-CYBMUJFWSA-N 403.581 3.351 0 40 HGAB CCc1onc(C)c1-c1cccc([C@H]2CN(C(=O)CN(C)C3CCCC3)CCO2)n1 257211368 BYPPROLALPACCR-OAQYLSRUSA-N 412.534 3.382 0 40 HGAB COc1ccc2[nH]c(CN3CCC4(CC3)C[C@@H](O)[C@H](c3ccccc3)NC4=O)cc2c1 257305308 SPIVDNXNZRCCBD-PKTZIBPZSA-N 419.525 3.381 0 40 HGAB Cn1cc(-c2ccc3c(c2)[C@H]2CN(Cc4ccccc4Cl)C[C@@H]2S3(=O)=O)cn1 306131741 KOMYDWULVMSYKN-NQIIRXRSSA-N 413.930 3.496 0 40 HGAB CCCCOC(=O)c1ccc(NC(=O)CN(C2CCCCC2)S(C)(=O)=O)cc1 408614159 ZECXTCNZDCIILS-UHFFFAOYSA-N 410.536 3.176 0 40 HGAB CCOc1ccccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2cc(C)ccc2C)C1 408657331 PBSLRDUWZFCNAR-QGZVFWFLSA-N 410.470 3.237 0 40 HGAB COC(=O)c1cc(NC(=O)N[C@@H]2CCN(c3ncccc3F)C2)cc(Cl)c1F 576087834 VORLAZFEUVQGCI-SNVBAGLBSA-N 410.808 3.200 0 40 HGAB Cc1ccccc1S(=O)(=O)N1CCC2(CC1)CO[C@H](CN1CCC[C@H](C)C1)C2 585103135 DNEQXRQMXJZJHX-ICSRJNTNSA-N 406.592 3.287 0 40 HGAB CSc1ccccc1OC[C@H](O)CN(C(C)C)S(=O)(=O)c1cc(C)ns1 1561650793 JFCZAHCTSAUQHN-CQSZACIVSA-N 416.590 3.012 0 40 HGAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C)o3)c(=O)n2[C@@H]1c1ccc(C)cc1 665025 RCQZVRSRGCHSKE-JKALPCAWSA-N 422.506 3.008 0 40 HGAB Cc1c(Cl)cccc1NC(=O)[C@H](C)OC(=O)CCN1C(=O)c2ccccc2C1=O 1984735 PIAWBDXCOXRGPB-ZDUSSCGKSA-N 414.845 3.205 0 40 HGAB CCCOc1ccc(CO[C@H]2[C@@H]([C@H]3COC(C)(C)O3)O[C@@H]3OC(C)(C)O[C@H]23)cc1 4029421 DCXWQAUMSHLOLW-OUUBHVDSSA-N 408.491 3.389 0 40 HGAB biogenic CCC(C)(C)NC(=O)[C@@H](c1cccc(OC)c1)N(C(=O)c1csnn1)C1CC1 4965063 LQDNPTVLPIJWPE-QGZVFWFLSA-N 402.520 3.197 0 40 HGAB COCC(=O)Nc1cccc(S(=O)(=O)Nc2cc(C)ccc2Br)c1 5602656 DLHZUMASAFUOBC-UHFFFAOYSA-N 413.293 3.143 0 40 HGAB Cc1cc(C(=O)CN2C(=O)C(=O)N(C3CCCC3)C2=O)c(C)n1Cc1cccs1 5628627 YSXBOXQPMYYBMN-UHFFFAOYSA-N 413.499 3.131 0 40 HGAB Cc1ccc(NC(=O)[C@@H](C)OC(=O)C[C@H](NC(N)=O)c2ccccc2Cl)cc1 5630200 OSTNAJHZICKBRO-DYVFJYSZSA-N 403.866 3.318 0 40 HGAB O=C(CN1C(=O)N[C@@]2(CCCc3sccc32)C1=O)N[C@H]1CCCc2ccccc21 5679272 YJQQRXSWPKBFGF-HTAPYJJXSA-N 409.511 3.025 0 40 HGAB O=C(CN1C(=O)N[C@@](Cc2ccccc2)(c2ccccc2)C1=O)NC1CCCCC1 6465933 USMXZPWPHQNHQK-DEOSSOPVSA-N 405.498 3.125 0 40 HGAB C[C@@H](NC(=O)c1ccc(C(=O)c2ccccc2)cc1)c1ccc(S(N)(=O)=O)cc1 6510446 RQPDGGZUHZNDBT-OAHLLOKOSA-N 408.479 3.056 0 40 HGAB COc1ccc([C@@H](CNS(=O)(=O)c2cccc(Br)c2)N(C)C)cc1 6650158 QQNPPTQBJXAKSF-QGZVFWFLSA-N 413.337 3.039 0 40 HGAB CC[C@@H]1Oc2ccccc2C(=O)N(CC(=O)c2cnn(-c3ccccc3)c2C)C1=O 6669591 MUJWUDRKXVVADT-FQEVSTJZSA-N 403.438 3.203 0 40 HGAB O=C(Nc1cccc(Cl)c1)[C@H]1[C@@H]2C=C[C@@]3(CN(CCc4ccccc4)C(=O)[C@H]13)O2 6759797 NXSSGYPVVHRRQW-MXBUBSDBSA-N 408.885 3.303 0 40 HGAB CCCOc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccc(C)cc3)CC2=O)cc1 6880961 MKOQJOOIHQXLNB-QGZVFWFLSA-N 410.470 3.319 0 40 HGAB CS(=O)(=O)c1ccccc1C(=O)O[C@H](C(=O)N1CCCCC1)c1ccccc1 7186462 XWDOJFWILMQKAG-IBGZPJMESA-N 401.484 3.001 0 40 HGAB O=c1[nH]c(CSc2nnc(NC[C@@H]3CCCO3)s2)nc2ccc(Cl)cc12 8356507 HSKPLOCLRXRHNE-JTQLQIEISA-N 409.924 3.311 0 40 HGAB CC[C@@H](Oc1ccccc1OC)C(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1 8478355 WWCIRWUJMJQKKJ-VQIMIIECSA-N 412.486 3.400 0 40 HGAB COc1ccc(S(=O)(=O)Nc2ccc3c(c2)CN(C(=O)C(C)C)CC3)c(OC)c1 8977093 NUDLXISXHILNFF-UHFFFAOYSA-N 418.515 3.045 0 40 HGAB CC(=O)Nc1ccccc1NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 9095287 XFTSIXWCPCBNRD-SFHVURJKSA-N 421.906 3.090 0 40 HGAB C/C(NNc1cccc2ccccc12)=C1/C(=O)NC(=O)N(Cc2ccccc2)C1=O 9357944 OHPPWTKRWIMIQB-HMMYKYKNSA-N 400.438 3.309 0 40 HGAB COc1ccc(CC(=O)Nc2cc(-c3cccs3)nn2-c2nc(C)cc(=O)[nH]2)cc1 11854440 DYCAVNQUGRIXMP-UHFFFAOYSA-N 421.482 3.182 0 40 HGAB Cc1cc(=O)c(OCc2ccccc2F)cn1CC(=O)Nc1ccc2c(c1)OCO2 12230380 BQSPRFQFZVCPFC-UHFFFAOYSA-N 410.401 3.242 0 40 HGAB COc1cccc([C@H](CNC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)N2CCCC2)c1 12789070 XANMSWZUNXRGOP-OFNKIYASSA-N 421.541 3.310 0 40 HGAB CCOC(=O)c1c(NC(=O)Cc2ccc(C)c(OC)c2)sc(C(=O)N(C)C)c1C 12858195 LRVLJTGRWFROBU-UHFFFAOYSA-N 418.515 3.433 0 40 HGAB O=C(NCCc1ccccc1)[C@@H](c1ccc(F)cc1)N(C(=O)c1csnn1)C1CC1 12872893 AXXNMALWGBPPQS-HXUWFJFHSA-N 424.501 3.382 0 40 HGAB COc1cc(CCC(=O)OCC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)cc(OC)c1OC 13140248 PWSFFFOPVWYZFN-HLLBOEOZSA-N 407.507 3.129 0 40 HGAB Cc1nc(NC(=O)CSc2nc(O)cc(-c3ccccc3)n2)nc2c1C(=O)CCC2 13635916 GDWBDQBPZPNAMI-UHFFFAOYSA-N 421.482 3.197 0 40 HGAB CCc1nnc2sc(-c3ccc(CNC(=O)COc4cccc(C)c4)cc3)nn12 13954791 PBEBKWKMBVWPQR-UHFFFAOYSA-N 407.499 3.419 0 40 HGAB CC(C)CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1 14245415 VTZSELXEEVBOCE-IAGOWNOFSA-N 405.564 3.179 0 40 HGAB Cc1ccccc1[C@@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 14936328 BHZNVQIBJBSVSH-IAGOWNOFSA-N 404.507 3.412 0 40 HGAB CCCN(CC(=O)NC(=O)Nc1ccccc1)CC(=O)Nc1ccc(F)c(F)c1F 15443738 RJEJLYLZNRJODW-UHFFFAOYSA-N 422.407 3.103 0 40 HGAB COc1ccc([C@@H]2C/C(=C3/C(=O)N(c4cccc(Cl)c4)C(=O)N=C3O)NN2)cc1 17027825 UEYBIVLSPUMTDT-DZHJMQLISA-N 412.833 3.265 0 40 HGAB CSc1nc2nc(C)c(CC(=O)OCc3cc(Cl)c4c(c3)OCO4)c(C)n2n1 18087155 OUHBHVPJKDBOJZ-UHFFFAOYSA-N 420.878 3.131 0 40 HGAB CNS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(Br)cc2F)cc1 19173391 OYEPSNXODYMWAJ-UHFFFAOYSA-N 415.284 3.068 0 40 HGAB Cc1ncsc1C(=O)N1CCC(c2cc(C(=O)NCc3cccs3)on2)CC1 19562054 ISBMCMWTSQPLON-UHFFFAOYSA-N 416.528 3.451 0 40 HGAB Cc1cc(C(=O)N2CCN(C(=O)c3ccccc3F)CC2)c2cnn(C(C)C)c2n1 19569476 LEEXPRNETPJZRN-UHFFFAOYSA-N 409.465 3.058 0 40 HGAB Cc1cc(C)cc(O[C@H](C)C(=O)N2CC[C@H](c3cc(=O)[nH]c(-c4ccccn4)n3)C2)c1 19569659 LGVNOOYKBYGHLF-MSOLQXFVSA-N 418.497 3.232 0 40 HGAB Cc1n[nH]cc1C(=O)N1CCC(c2nc(N(C)C)ncc2-c2cccc(F)c2)CC1 19694861 BXLZZXUKSGDTEQ-UHFFFAOYSA-N 408.481 3.400 0 40 HGAB Cc1nc(C)c(C(=O)N[C@H]2CCc3ccc(S(=O)(=O)NC4CCCC4)cc32)s1 19749619 NBMFOFHLWPQDEC-SFHVURJKSA-N 419.572 3.398 0 40 HGAB COc1ccccc1NC(=O)COc1ccc(Cl)cc1S(=O)(=O)N1CCCC1 19935332 XUDCPOBISBUGAC-UHFFFAOYSA-N 424.906 3.151 0 40 HGAB CCOc1ccc([C@H]2Nn3c(C)nnc3S[C@H]2C(=O)N2CCCCCC2)cc1 20068850 IJCUGNBVKCFMJU-QZTJIDSGSA-N 401.536 3.147 0 40 HGAB Cc1ccc(C)c(N2C(=O)/C(=C/NCCCN3CCOCC3)c3ccccc3C2=O)c1 20517537 AEHZQWWQSAGDMC-OQKWZONESA-N 419.525 3.143 0 40 HGAB O=C(NCC(=O)N1CCC(Cc2ccccc2)CC1)c1cccc(OC(F)F)c1 21895171 ZWPCHQAWELPEBU-UHFFFAOYSA-N 402.441 3.499 0 40 HGAB CCOc1ccc(N2C[C@@H](C(=O)O[C@@H](C)C(=O)c3ccc(OC)cc3)CC2=O)cc1 22085458 HLIRJHANGMTDAR-RDJZCZTQSA-N 411.454 3.261 0 40 HGAB Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccco2)N2CCc3ccccc3C2)cc1 22907402 MLVPGILTRBBBJA-OAQYLSRUSA-N 403.482 3.442 0 40 HGAB C/C=C/c1ccc(OC[C@H](O)CN2CCN(c3ccc(F)cc3)CC2)c(OC)c1 23115557 FVXJIABGXOOMQB-YEFOHOTDSA-N 400.494 3.429 0 40 HGAB CCOc1ccc([C@]2(C)NC(=O)N(Cc3nnc(-c4ccc(OC)cc4)o3)C2=O)cc1 23908307 MCWBVHJHXDLXJM-QFIPXVFZSA-N 422.441 3.111 0 40 HGAB Cc1onc(-c2ccccc2)c1-c1nnc(CN2CCN(c3ccccn3)CC2)o1 23956420 BJPUNYNCHYYIMO-UHFFFAOYSA-N 402.458 3.417 0 40 HGAB O=C(Nc1cccc(Cn2ccnc2)c1)C1CCN(C(=O)COc2ccccc2)CC1 25182074 GIFVRQFLLKWWAB-UHFFFAOYSA-N 418.497 3.188 0 40 HGAB Cc1cc(O[C@@H](C)C(=O)NCC2(N3CCN(C)CC3)CCCCC2)ccc1Cl 27744314 OQNPEZFMHQZZMC-SFHVURJKSA-N 407.986 3.482 0 40 HGAB CN(C)S(=O)(=O)N(CC(=O)Nc1c(Cl)cccc1Cl)c1ccccc1F 30757481 AQPSKCVXJLMRIT-UHFFFAOYSA-N 420.293 3.384 0 40 HGAB CCOC(=O)c1cnn(-c2cccc(NC(=O)Cc3cn4ccsc4n3)c2)c1C 31390400 QJUUTOVUOJBQEP-UHFFFAOYSA-N 409.471 3.248 0 40 HGAB Cc1nc2c(c(C)nn2C)c(C)c1CCC(=O)NC[C@H](c1cccc(F)c1)N(C)C 32730280 XMUADBYOVXQUTH-HXUWFJFHSA-N 411.525 3.384 0 40 HGAB COc1ccc2cc([C@]3(C)NC(=O)N(Cc4nc(-c5ccco5)no4)C3=O)ccc2c1 32754346 RKDAHQUMVYCDNK-QFIPXVFZSA-N 418.409 3.459 0 40 HGAB COCCOc1ccc(S(=O)(=O)N[C@@H](C)c2cc(OC)ccc2OC)cc1C 32831125 WYQSCVWMCAWTNT-HNNXBMFYSA-N 409.504 3.077 0 40 HGAB CN(C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)[C@@H]1CCc2ccccc21 32905672 UFCMFZQNDTWADX-LAUBAEHRSA-N 416.518 3.372 0 40 HGAB CS(=O)(=O)N1CCCC[C@H]1C(=O)Oc1ccc2cc(Br)ccc2c1 32908822 VUSLZNWHGZQOGB-INIZCTEOSA-N 412.305 3.322 0 40 HGAB COc1ccc(-c2ccc(S(=O)(=O)N[C@@H](Cc3ccccc3)C(=O)O)cc2)cc1 36293946 NJVPJBMOTUQITQ-NRFANRHFSA-N 411.479 3.336 0 40 HGAB 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IVCQNCCPMUGMKE-OAHLLOKOSA-N 416.528 3.235 0 40 HGAB CCCCn1c(=O)[nH]c(=O)c2c1nc(CN1C[C@@H]3CCCC[C@@]31c1ccccc1)n2C 79103729 KSGBSVWXXJAPHS-MHECFPHRSA-N 421.545 3.125 0 40 HGAB Cc1ncsc1C(=O)Nc1ncc(Br)cc1I 84065647 IPYIRAGXDGNIFB-UHFFFAOYSA-N 424.061 3.466 0 40 HGAB Cc1cc(C(=O)N2CCC(c3nc4ccc(NCc5cccnc5)cn4n3)CC2)no1 96267308 NJGVYIBKOZKHNQ-UHFFFAOYSA-N 417.473 3.053 0 40 HGAB O=C(COC(=O)c1cccc(N2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)c1)c1ccc(F)cc1 102081213 CRELWSXYFUAELB-VUEDXXQZSA-N 421.424 3.401 0 40 HGAB COc1ccc([C@@H]2c3sc(=O)[nH]c3S[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]32)cc1 102699141 MSTJOPBPZBIPGP-YQQAZPJKSA-N 424.503 3.241 0 40 HGAB aggregator CC(=O)NC12C[C@@H]3C[C@@H](C1)CC(C(=O)N(C)CC(=O)Nc1ccccc1Cl)(C3)C2 102750237 BOJPNRAWYJHOCS-KILAXVPQSA-N 417.937 3.212 0 40 HGAB CCOC(=O)CN(c1c(C)cccc1C)S(=O)(=O)c1ccc(NC(C)=O)cc1 113871540 YYEUKGWTCAJUPQ-UHFFFAOYSA-N 404.488 3.020 0 40 HGAB O=C(Cn1c(=O)oc2ccccc21)N1CCS[C@@H](c2ccc3c(c2)OCO3)CC1 219209245 IUEJUTYAGUWBQG-LJQANCHMSA-N 412.467 3.030 0 40 HGAB Cc1cc(O[C@@H](C)C(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)ccc1Cl 222848338 UOGGAFMRGURQPW-AWEZNQCLSA-N 422.934 3.255 0 40 HGAB Cc1cccc(N(CC(=O)Nc2ccc(Cc3ccncc3)cc2)S(C)(=O)=O)c1 223617800 QUSZAVGEGHGSBQ-UHFFFAOYSA-N 409.511 3.386 0 40 HGAB CS(=O)(=O)N(CC(=O)Nc1ccc(OC(F)(F)F)cc1)c1cccc(F)c1 224866307 GBRBRYZBJRYARA-UHFFFAOYSA-N 406.357 3.129 0 40 HGAB CCOc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)C(C)C)c2ccccc2)cc1 225194570 YKQRSOCSZUWRFT-KRWDZBQOSA-N 404.532 3.441 0 40 HGAB COc1ccc(NC(=O)C2(C)COC(c3ccc(OC)c(OC)c3)OC2)cc1OC 225918175 QAOSMEFXPGHSGW-UHFFFAOYSA-N 417.458 3.411 0 40 HGAB O=C(O)CCC/C=C/C[C@@H]1[C@H](O)C[C@H](O)[C@@H]1/C=C/[C@@H](O)COc1cccc(Cl)c1 247434428 VJGGHXVGBSZVMZ-VDIGLKAWSA-N 424.921 3.195 0 40 HGAB O=C(c1cccc2ncccc12)N1CCO[C@H](c2cccc(Nc3cnccn3)n2)C1 257206414 BDGZPGNRFPVDLF-FQEVSTJZSA-N 412.453 3.377 0 40 HGAB Cc1cc2nccc([C@H]3CC[C@H](CNC(=O)c4cc5c(nc4O)CCC5)CC3)n2n1 257301089 RWYCVDFPVSVLEI-WKILWMFISA-N 405.502 3.331 0 40 HGAB CCc1ccc(CN2C[C@H]3Cn4c(nnc4C(=O)Nc4ccccc4)C[C@H]3C2)cc1 306144296 ZBTPUXQYSXDDDA-PMACEKPBSA-N 401.514 3.397 0 40 HGAB Cc1ccc(Cl)cc1N(CC(=O)NC12CC3CC(CC(C3)C1)C2)S(C)(=O)=O 408629753 HJJIYBNYIOVZCV-UHFFFAOYSA-N 410.967 3.499 0 40 HGAB CCNC(=O)CN(Cc1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 409060855 WQSHKGMJZCTGRA-UHFFFAOYSA-N 401.315 3.320 0 40 HGAB O=C1c2ccccc2CN1CCC(=O)N1CCCC2=C[C@@H]3C[C@@H](CN4CCCC[C@@H]34)[C@H]21 409414330 KMWOXVJLEQBKSZ-RLOMUNTMSA-N 419.569 3.454 0 40 HGAB O=C1[C@H]2[C@H]3C[C@H]4[C@@H]2[C@@]2(C(=O)N5CCC(c6cccc(Br)c6)CC5)[C@@H]4[C@@H]3[C@@H]12 505237115 CAIKKAYXXHVGBF-CTSDAZPPSA-N 412.327 3.482 0 40 HGAB O=C(Nc1cncc2ccccc12)C(=O)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1 540870233 MABHAYZEIJDGQR-CQSZACIVSA-N 412.852 3.361 0 40 HGAB Cc1ccc(OC[C@]2(O)CCCN(CC(=O)NCc3ccc(F)cc3)CC2)c(C)c1 585272902 KNTJNJORJLGIAA-DEOSSOPVSA-N 414.521 3.355 0 40 HGAB CC(C)CCN1CC(=O)NCCCCCOc2cccc(C(=O)N3CCCC3)c2C1 643575340 HWAZLCJDGBFWJI-UHFFFAOYSA-N 415.578 3.450 0 40 HGAB O=C(CCn1cnc2ccccc21)N1CCC[C@@](O)(COc2ccc(F)cc2)CC1 2037912623 QTUOBUIMHSMIJR-QHCPKHFHSA-N 411.477 3.388 0 40 HGAB CCOc1cccc(-c2nnc(SCC(=O)Nc3cccc(Cl)c3)n2N)c1 2369757 COWGPELUEMUFDF-UHFFFAOYSA-N 403.895 3.442 0 40 HGAB CC(=O)c1ccccc1NC(=O)COC(=O)c1ccc(I)cc1 3387084 BLAZITFZYXRXGX-UHFFFAOYSA-N 423.206 3.289 0 40 HGAB CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)c2cc(C)n(C[C@@H]3CCCO3)c2C)c1C 3543096 ZULILXPEFSMRDN-KRWDZBQOSA-N 400.475 3.471 0 40 HGAB COc1cc(NC(=O)CSc2nnc3c(n2)[nH]c2ccc(F)cc23)cc(OC)c1 4169122 UPOZAQVWZFCDSI-UHFFFAOYSA-N 413.434 3.393 0 40 HGAB CCn1c(=O)c2c(nc3n2CCCN3c2ccc(Oc3ccccc3)cc2)n(C)c1=O 4249244 FPCNRHKTNKEMFL-UHFFFAOYSA-N 417.469 3.251 0 40 HGAB CCOc1ccc(N2C[C@@H](NC(=O)NCc3ccc4[nH]c(C)cc4c3)CC2=O)cc1 4373733 BJKBEHFXJNALPZ-SFHVURJKSA-N 406.486 3.480 0 40 HGAB CCOC(=O)CNC(=O)CSc1nc(Cc2cccs2)nc2ccccc12 4936551 GYPMOBUJEXJOHM-UHFFFAOYSA-N 401.513 3.054 0 40 HGAB CCOC(=O)C1=C(COC(=O)c2c[nH]c3ccccc23)NC(=O)N[C@@H]1c1ccccc1 5136551 LTJGMCULGZIBLL-HXUWFJFHSA-N 419.437 3.196 0 40 HGAB Cc1[nH]c(SCCN2C(=O)c3ccccc3S2(=O)=O)nc1Cc1ccccc1 5312425 VHGBBKJBZSWUJI-UHFFFAOYSA-N 413.524 3.246 0 40 HGAB Cn1c(S)nnc1[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1 5753501 RGBFILYMBVLWGV-OAHLLOKOSA-N 408.936 3.020 0 40 HGAB Cc1ccc(NC(=O)COC(=O)[C@@H]2COc3ccccc3O2)c(Br)c1 6055924 UDHLSQRIBOUHQF-INIZCTEOSA-N 406.232 3.079 0 40 HGAB CC(C)CCNC(=O)COc1ccc(S(=O)(=O)NCc2ccccc2)cc1Cl 6325789 YVUOBOGWBGVAIA-UHFFFAOYSA-N 424.950 3.360 0 40 HGAB CCCCCNC(=O)C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 6596793 ZTMKJBOEZXRVNY-UHFFFAOYSA-N 417.369 3.156 0 40 HGAB Cc1nn(Cc2coc(-c3cccs3)n2)c(C)c1S(=O)(=O)N1CCCCC1 7024907 YEUZRFWGBJVHIG-UHFFFAOYSA-N 406.533 3.439 0 40 HGAB CC(C)CC(=O)NC(=S)Nc1ccc(N2CCN(C(=O)CC(C)C)CC2)cc1 7387290 IJCXYUNTDIVCSD-UHFFFAOYSA-N 404.580 3.240 0 40 HGAB O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)NCCc1ccccc1F 7545362 NIJGWJCFMNKPTE-UHFFFAOYSA-N 418.534 3.292 0 40 HGAB CCN(Cc1ccc2c(c1)OCCO2)C(=O)CSc1nnc(C2CC2)n1C1CC1 7550907 ARKFRBNXOBOKGO-UHFFFAOYSA-N 414.531 3.402 0 40 HGAB CC(C)[C@@H](NC(=O)CN1C(=O)CCOc2ccccc21)c1ccc2c(c1)OCCO2 8124811 SLFHOKRLNVEZAQ-HSZRJFAPSA-N 410.470 3.087 0 40 HGAB O=C(C[C@@H]1C=CCC1)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 8191789 GHACIWFZRWWZST-CYBMUJFWSA-N 403.331 3.183 0 40 HGAB CN(C)[C@@H](CNC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1)c1ccccc1 8230502 FEAMZJKALXCEPB-ZVQQDINOSA-N 405.542 3.358 0 40 HGAB O=C(CSc1nnc(NCc2ccco2)s1)c1c[nH]c(C(=O)N2CCCC2)c1 8251808 KDJIPUFICYAMGZ-UHFFFAOYSA-N 417.516 3.282 0 40 HGAB COc1ccc2cc(CN(C)C(=O)CN3C(=O)NC4(CCCCCC4)C3=O)ccc2c1 8266278 BAKUFRQWOJMTHY-UHFFFAOYSA-N 423.513 3.452 0 40 HGAB CC(=O)Nc1ccc(NC(=O)CCC(=O)OCC(=O)Nc2cccc(Cl)c2)cc1 8415137 RCPMTOQYTFUABM-UHFFFAOYSA-N 417.849 3.199 0 40 HGAB COc1ccc([C@@H](CNC(=O)Cc2ccc(N3CCCC3=O)cc2)N2CCCC2)cc1 8777435 JNYFSUJXBMZNNS-HSZRJFAPSA-N 421.541 3.318 0 40 HGAB CC[C@@]1(C)NC(=O)N(CC(=O)N2CCc3sccc3[C@@H]2c2cccs2)C1=O 8855724 UNYKSRODAGQPBZ-VQIMIIECSA-N 403.529 3.004 0 40 HGAB COc1cc([C@@H]2CC(=O)Nc3nc(C)[nH]c(=O)c32)ccc1OCc1cccc(C)c1 8971989 PLQKCZKOKIYXQU-KRWDZBQOSA-N 405.454 3.448 0 40 HGAB CCN(CC)Cc1ccc(CNC(=O)N(C)Cc2nc3ccccc3c(=O)[nH]2)cc1 9874970 ABAHZBXOHCGLHZ-UHFFFAOYSA-N 407.518 3.107 0 40 HGAB CC(C)(C)N(C(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)C(=O)N1CCCCC1 10254425 PXHRKFPHFUNEFQ-UHFFFAOYSA-N 421.563 3.318 0 40 HGAB CCOCCCNC(=O)c1ccc(CN(c2cccc(C)c2)S(C)(=O)=O)cc1 10325014 ZQXBZTYMHHLPAO-UHFFFAOYSA-N 404.532 3.118 0 40 HGAB CC(=O)N[C@H](CC(=O)N1CCCN(C)c2nc3ccccc3nc21)c1ccc(C)cc1 10934847 MZHROUXAIWSIGH-OAQYLSRUSA-N 417.513 3.379 0 40 HGAB CCc1nc2ccccc2c(=O)n1CC1(O)CCN(C(=O)CC2CCCCC2)CC1 12187182 FKAKXAGPHGWOQW-UHFFFAOYSA-N 411.546 3.283 0 40 HGAB CC[C@H](Cn1nc(-c2cccs2)ccc1=O)NC(=O)CCc1c(C)noc1C 12276253 OUVUSYHOOUJSHQ-OAHLLOKOSA-N 400.504 3.104 0 40 HGAB O=C(NCC(=O)N1CCC(C(=O)Nc2cccc3ccccc23)CC1)c1ccccc1 12408792 DUADYYKTEUPKGC-UHFFFAOYSA-N 415.493 3.447 0 40 HGAB COc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(OCC(N)=O)cc2)cc1 12543804 DFQJWBRNRDVTEK-JOCHJYFZSA-N 403.438 3.330 0 40 HGAB CCOc1ccc(S(=O)(=O)NCCC(=O)N[C@H](C)c2cccc(Cl)c2)cc1 12800119 IBFGVJVOAZSWHE-CQSZACIVSA-N 410.923 3.285 0 40 HGAB CC(C)(C)c1ccc(Cn2nccc2NC(=O)CN2C(=O)c3ccccc3C2=O)cc1 12948833 ZDSJCQFRWDFFEC-UHFFFAOYSA-N 416.481 3.464 0 40 HGAB O=C(O)c1cc2c(cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1)OCCO2 13090207 SGCRLCRAUVXRST-UHFFFAOYSA-N 404.227 3.264 0 40 HGAB COc1ccc(CN(C)CN2C(=O)N[C@@]3(C[C@@H](C)CC(C)(C)C3)C2=O)c(OC)c1 13098078 BMAZDLGGYZPHGF-OYHNWAKOSA-N 403.523 3.230 0 40 HGAB O=C(Cn1c2ccccc2c2nc3n(c(=O)c21)CCS3)NCc1ccc(Cl)cc1 13591861 JEHMTGDWORUOIX-UHFFFAOYSA-N 424.913 3.427 0 40 HGAB COc1cc2c(cc1OC)CN(C(=O)NCCC(=O)Nc1ccc(C)c(F)c1)CC2 13624042 MLTHEVHDJXGGJX-UHFFFAOYSA-N 415.465 3.248 0 40 HGAB CC[C@@H](C(=O)Nc1ccc(C(=O)O)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O 13712891 SZNGDMVWQOIUKT-INIZCTEOSA-N 410.879 3.222 0 40 HGAB COc1ccc([C@@H]2CCCN2C(=O)c2ccc3c(=O)n4c(nc3c2)CCC4)c(OC)c1 15829809 WIGCEQGUVGWYRC-FQEVSTJZSA-N 419.481 3.337 0 40 HGAB Cc1ccccc1OCC(=O)NC(=S)Nc1sc2c(c1C(N)=O)CC[C@H](C)C2 17091175 WIYYVVGQOHLPGO-NSHDSACASA-N 417.556 3.172 0 40 HGAB C[C@H](Oc1cccc(F)c1)C(=O)N1CC[C@@H](c2cc(O)nc(-c3ccccn3)n2)C1 19077635 SNESGIXLYNGAPG-LSDHHAIUSA-N 408.433 3.167 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC[C@H]2c2nc(C)ncc2-c2cc(C)no2)cc1 19122577 DYSWCBOFPNXGPZ-SFHVURJKSA-N 414.487 3.283 0 40 HGAB Cc1nc(C)c(CCC(=O)N2CCc3onc(Nc4c(C)cccc4C)c3C2)c(=O)[nH]1 19235770 RIJUVIGCLPHDKW-UHFFFAOYSA-N 421.501 3.253 0 40 HGAB CCCC(=O)N1CCC(c2cc3nc4c(c(O)n3n2)CN(C2CCCC2)CC4)CC1 19501162 XSNAKEZMHWVTEF-UHFFFAOYSA-N 411.550 3.242 0 40 HGAB COc1cccc(CC(=O)N2CCCC[C@H]2c2ccnc3nc(C(F)(F)F)nn23)c1 19564301 CZEJWMNLXDAZRH-HNNXBMFYSA-N 419.407 3.448 0 40 HGAB Cc1cc(-c2cncnc2-c2ccc(CNC(=O)c3cc(C)c(C)[nH]c3=O)cc2)on1 19566822 SCLPGEASQYZGDM-UHFFFAOYSA-N 415.453 3.342 0 40 HGAB CN(C)c1ncc(-c2cnn(C)c2)c([C@@H]2CCCN(C(=O)CCc3ccccc3)C2)n1 19694829 JVORQSHSYKTQOS-LJQANCHMSA-N 418.545 3.282 0 40 HGAB Cn1cc(C(=O)NCc2ccccn2)c(CC2CCN(CCc3ccccc3)CC2)n1 19756347 YLPITDHWSWWBFL-UHFFFAOYSA-N 417.557 3.242 0 40 HGAB CC(C)Oc1cc(CCC(=O)N2CC[C@@H](c3cc(C(N)=O)c4ccccc4n3)C2)on1 19756913 JOPAIEIGIDSUSO-OAHLLOKOSA-N 422.485 3.058 0 40 HGAB COc1ccc(CCC(=O)N2CC[C@@H](c3cc(C(N)=O)c4ccccc4n3)C2)cc1 19761790 SERFSZQLQHGGRZ-QGZVFWFLSA-N 403.482 3.291 0 40 HGAB CCc1nnc(NC(=O)CSc2nc(-c3cc(Cl)ccc3OC)n[nH]2)s1 19929213 PFSFMWBVIVSQNN-UHFFFAOYSA-N 410.912 3.278 0 40 HGAB CCOC(=O)[C@](NCCc1ccc(OC)cc1)(NC(=O)c1ccccc1)C(F)(F)F 20792264 ICAYSJKXAAHDNI-FQEVSTJZSA-N 424.419 3.079 0 40 HGAB O=C(NCCC(=O)N1CCN(Cc2cccc(Cl)c2)CC1)c1ccc(F)cc1F 21381933 QAEQGIQJCDJOGX-UHFFFAOYSA-N 421.875 3.083 0 40 HGAB C[C@@H]1CN(C(=O)CSc2nc3scc(-c4ccc(F)cc4)c3c(=O)[nH]2)CCO1 22132911 YNWQXPWGZOEOLF-LLVKDONJSA-N 419.503 3.130 0 40 HGAB CC(C)c1noc2ncc(C(=O)O[C@H](C)C(=O)NC(=O)NC3CCCCC3)cc12 22201262 BQXATRYVCYRQFW-GFCCVEGCSA-N 402.451 3.050 0 40 HGAB Cc1ccc(N(CC(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)S(C)(=O)=O)cc1 22327802 SBXWBANTMCTADL-GOSISDBHSA-N 402.516 3.180 0 40 HGAB CCOc1ccccc1N(CC(=O)N[C@@H]1CCCc2ccccc21)S(C)(=O)=O 22333074 XJMBQHLFYNRPBE-GOSISDBHSA-N 402.516 3.045 0 40 HGAB COc1ccc(/C=C/C(=O)NC[C@@H](c2ccc(F)cc2)N2CCOCC2)cc1OC 23154952 OVGJGPGXSFXMNT-KUIFVVTRSA-N 414.477 3.046 0 40 HGAB Cc1nc2sc([C@H](c3ccco3)N3CCN(c4ccccc4F)CC3)c(O)n2n1 23158137 QFZYHUIMUQVDLH-KRWDZBQOSA-N 413.478 3.449 0 40 HGAB CC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)OC[C@@H]1CC1(Cl)Cl)C2=O 23223547 GNUWRYNZCKSUDM-JKGQDXBKSA-N 405.322 3.250 0 40 HGAB O=C1Nc2ccccc2S[C@H]1CC(=O)N1CCN(C/C=C/c2ccccc2)CC1 23731565 FGHMINOEUFQKOK-JLXBBBJOSA-N 407.539 3.347 0 40 HGAB COCCN(CCOC)C(=O)c1cc2c(C)nn(Cc3ccc(C)cc3)c2s1 24838208 KHOJYXFKHUNZDV-UHFFFAOYSA-N 401.532 3.498 0 40 HGAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N1CCN(c2cnccn2)CC1 25343726 YXEKXWIQLNVQNW-UHFFFAOYSA-N 401.829 3.195 0 40 HGAB O=C(NCc1ccccc1)NC1(C(=O)N2CCN(c3ccccc3)CC2)CCCC1 26091379 DRJKQMDIMAFHLM-UHFFFAOYSA-N 406.530 3.147 0 40 HGAB CCCCn1nnnc1CN1C(=O)N[C@](c2ccccc2)(c2ccc(C)c(C)c2)C1=O 26676926 ATGRYLBIZSVBFW-HSZRJFAPSA-N 418.501 3.086 0 40 HGAB CNC(=O)[C@H]1Cc2ccccc2CN1Cc1nc(-c2cccc(C(F)(F)F)c2)no1 26917771 WJFJTVBBHWFSFA-QGZVFWFLSA-N 416.403 3.428 0 40 HGAB C[C@]12CC[C@H](O)C[C@H]1CC[C@H]1[C@H]2[C@H](O)C[C@]2(C)[C@@H](c3ccc(=O)oc3)CC[C@]12O 27630293 FMTLOAVOGWSPEF-MJQISRLSSA-N 402.531 3.213 0 40 HGAB biogenic,in-vitro C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)NCCCC3CCCC3)c2)C[C@@H](C)O1 31145817 JSXRUIYWNQGMCI-CALCHBBNSA-N 408.564 3.185 0 40 HGAB Cc1nn(-c2ncnc3[nH]cnc23)c2c1[C@H](c1ccccc1OC(C)C)CC(=O)N2 31811749 ZIDUMMOQWHOEML-AWEZNQCLSA-N 403.446 3.108 0 40 HGAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1cc(-c2ccc(C)cc2)no1 32833291 APKAJAKAIHIJPS-UHFFFAOYSA-N 415.471 3.161 0 40 HGAB CC(C)c1cccc(NC(=O)CN(C)CC(=O)N2c3ccccc3NC(=O)C[C@H]2C)c1 32860162 PTFYJSZMQAQMQR-QGZVFWFLSA-N 422.529 3.444 0 40 HGAB COc1cccc(CNC(=O)c2ccccc2S(=O)(=O)N(C)c2ccccc2)c1 32990826 DBBQIVBWAWVVOY-UHFFFAOYSA-N 410.495 3.450 0 40 HGAB CCCn1c(CCC(=O)N[C@H](C)CC)nc2cc(S(=O)(=O)N3CCCC3)ccc21 36264180 UNUANWZSEDCHEL-MRXNPFEDSA-N 420.579 3.078 0 40 HGAB CN(CC(=O)OCc1coc(-c2ccccc2)n1)S(=O)(=O)c1ccc(Cl)cc1 39542750 DQGSLCKGSVSHAC-UHFFFAOYSA-N 420.874 3.359 0 40 HGAB O=C(CN1CCC(CCc2ccc(O)cc2)CC1)N[C@H]1CCN(Cc2ccccc2)C1 40050462 POKNJVITGNFJOY-DEOSSOPVSA-N 421.585 3.428 0 40 HGAB O=S(=O)(NCCc1cnn(-c2ccccc2)c1)c1cccc(OC(F)(F)F)c1 40051329 XKWBBBVQYHTKFF-UHFFFAOYSA-N 411.405 3.292 0 40 HGAB CN(C(=O)CN1C(=O)N[C@](C)(c2cccc(C(F)(F)F)c2)C1=O)c1ccccc1 40116891 KPGHOUBMRLQPMS-LJQANCHMSA-N 405.376 3.135 0 40 HGAB COc1cc(NC(=O)[C@@]23CCC(=O)N2c2ccccc2C(=O)N3C(C)C)cc(OC)c1 40312820 AHIVXMDHDIKKEK-HSZRJFAPSA-N 423.469 3.030 0 40 HGAB biogenic Cn1ccnc1CCNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 40640817 JTHDWQLDMVLLEU-UHFFFAOYSA-N 413.124 3.010 0 40 HGAB CN(C)[C@H](CNC(=O)[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1)c1ccco1 44514949 HIYYAWKLQNEKLU-CZUORRHYSA-N 409.408 3.070 0 40 HGAB COc1ccccc1C(=O)NCCC(=O)N1CCn2cccc2[C@H]1c1ccccc1 44575896 SEDOGZTUERHUNI-HSZRJFAPSA-N 403.482 3.248 0 40 HGAB CCOC(=O)c1cc2cc(NC(=O)NCC(C)(C)N3CCN(C)CC3)ccc2s1 48332685 ZTHIQXDAOWOMCO-UHFFFAOYSA-N 418.563 3.226 0 40 HGAB CC(C)(C)OC(=O)N(C(=O)OCc1ccccc1Cl)[C@@H](CCCN)C(=O)O 55161860 FQALJANQJKUDPI-AWEZNQCLSA-N 400.859 3.406 0 40 HGAB O=S(=O)(NCC1(c2cccc(Br)c2)CCOCC1)c1ccccc1 56124705 CTRVGAKSMNVTCW-UHFFFAOYSA-N 410.333 3.476 0 40 HGAB CCOC(=O)c1ccccc1NC(=O)Cn1c(-c2ccccc2)nc(CC)cc1=O 57527202 REUAOAUDLIQGNC-UHFFFAOYSA-N 405.454 3.288 0 40 HGAB CCOc1cccc(CNC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)c1 57670877 PVSBBEBRNUQMCH-UHFFFAOYSA-N 422.934 3.453 0 40 HGAB Cc1ccc2c(c1)N(S(C)(=O)=O)CC[C@H](C(=O)Nc1ccc(OC(C)C)cc1)O2 64988700 BJUZJBGOFOJDDM-HXUWFJFHSA-N 418.515 3.338 0 40 HGAB CCOC(=O)C1=C(CN2CCC(C)CC2)NC(=O)N[C@@H]1c1ccc(SC)cc1 67286881 XZYPSCAQJDPRRG-LJQANCHMSA-N 403.548 3.312 0 40 HGAB NC(=O)c1cccc(-c2cnc(N)nc2[C@@H]2CCCN(C(=O)CC3CCCC3)C2)c1 72346112 YQGMEJHXTCBQRP-GOSISDBHSA-N 407.518 3.111 0 40 HGAB Cn1cnc(S(=O)(=O)N2CCC[C@@H](c3cccc(Cc4cccc(F)c4)n3)C2)c1 72350344 PMEHOUXWBUJUQV-QGZVFWFLSA-N 414.506 3.113 0 40 HGAB CCN1C(=O)c2ccccc2C(=O)[C@@]2(C)CN(Cc3c(C)nc4ccccn34)C[C@@H]12 72395827 CYBPOZDJMLQDTB-YKSBVNFPSA-N 402.498 3.192 0 40 HGAB NC(=O)N1CC[C@H](NC(=O)CS[C@@H](c2ccccc2)c2ccc(Cl)cc2)C1 78808909 CTZXMBIQBVLFIK-HKUYNNGSSA-N 403.935 3.432 0 40 HGAB C[C@H]1[C@@H](c2ccc(Br)cc2)OCCN1C(=O)NCCOc1cccnc1 95441274 IKZOUTNKOXUMTB-KSSFIOAISA-N 420.307 3.395 0 40 HGAB CCOC(CNC(=O)/C=C/c1cc(OC)cc(OC)c1)(OCC)c1ccccn1 95465466 KPLPKPZGAJGZFY-ZHACJKMWSA-N 400.475 3.154 0 40 HGAB C[C@@H](NC(=O)c1ccc2noc(-c3ccccc3)c2c1)C(=O)NCc1ccncc1 95471301 MZUNVAQUMGXNQS-OAHLLOKOSA-N 400.438 3.325 0 40 HGAB O=C(COc1ccccc1)N1Cc2ccccc2C2(CCN(c3cnccn3)CC2)C1 96242559 AWLJWASCVAMPPO-UHFFFAOYSA-N 414.509 3.436 0 40 HGAB CC/C(N[C@@H](C)CCCN(CC)CC)=C1/C(=O)NC(=O)N(Cc2ccccc2)C1=O 100190852 PHBRJYPEXGYUPR-NRTINQSCSA-N 414.550 3.029 0 40 HGAB CCc1cc(=O)oc2cc(C)cc(O[C@@H](C)C(=O)NC[C@H]3CC[C@H](C(=O)O)CC3)c12 100762056 HOGNSHPIFOIKIO-YQQAZPJKSA-N 415.486 3.438 0 40 HGAB C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)N1CC[C@H]2CCCC[C@@H]2C1 102462315 RGMFWZJLWGHHAD-GUDVDZBRSA-N 419.591 3.310 0 40 HGAB COc1cc(CN2Cc3ccccc3C[C@H]2C(=O)NCc2ccco2)cc(OC)c1O 199424141 OUFDOUKPXMPPHV-FQEVSTJZSA-N 422.481 3.246 0 40 HGAB O=C(O)CCC/C=C/C[C@H]1[C@H](O)C[C@H](O)[C@@H]1/C=C\[C@@H](O)COc1cccc(Cl)c1 222215768 VJGGHXVGBSZVMZ-MZSVHOMDSA-N 424.921 3.195 0 40 HGAB CN(c1cccc(C(=O)Nc2ccc(Br)cc2F)c1)S(C)(=O)=O 222414153 OOANRLGSUXMVJF-UHFFFAOYSA-N 401.257 3.236 0 40 HGAB C[C@H]1Cc2ccccc2N1C(=O)COc1ccc(S(=O)(=O)NC2CCCC2)cc1 222647767 WTGDRWKYOBFTLL-INIZCTEOSA-N 414.527 3.264 0 40 HGAB CC[C@H](C)NS(=O)(=O)c1ccc(OCC(=O)N(C)c2ccc(C)c(C)c2)cc1 222663738 GWWUSMMPHQGHTR-KRWDZBQOSA-N 404.532 3.422 0 40 HGAB COc1ccccc1[C@H](C)NC(=O)CCCN(c1ccccc1F)S(C)(=O)=O 224046653 WXVRMUVUXZQPHU-HNNXBMFYSA-N 408.495 3.258 0 40 HGAB CCC(=O)N1CCc2cc(S(=O)(=O)N[C@H](C)COc3ccc(C)cc3)ccc21 225566343 JRDVGFPFOHYRHO-MRXNPFEDSA-N 402.516 3.040 0 40 HGAB COC(=O)[C@H]1C[C@@H](OC)CN1C(=O)CCc1cccc(Oc2ccc(F)cc2)c1 225633481 VKNWDRYAUCHYEB-WOJBJXKFSA-N 401.434 3.340 0 40 HGAB O=S(=O)(c1cccnc1)N1CCC[C@@H](c2ncc(Cc3ccc(F)cc3)o2)C1 257212978 CFQUWUNXZGVMGU-MRXNPFEDSA-N 401.463 3.368 0 40 HGAB Cc1cc(Nc2nc(C)c(C)s2)cc([C@@H]2CN(C(=O)Cn3cccn3)CCO2)n1 257309422 UAWKXLKPHIJUAI-SFHVURJKSA-N 412.519 3.004 0 40 HGAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC2CCCCCC2)cc1Cl 408589770 FLNYOLLFBCFADV-ZDUSSCGKSA-N 402.944 3.245 0 40 HGAB Cc1cc(S(=O)(=O)N2CCCc3ccccc32)ccc1OCC(=O)NC(C)C 408617847 DOSGKSBUJWCGJO-UHFFFAOYSA-N 402.516 3.040 0 40 HGAB CC(=O)Nc1cccc(NC(=O)CN(c2cccc(Cl)c2C)S(C)(=O)=O)c1 408623853 ZTPGHGJAQXNQTD-UHFFFAOYSA-N 409.895 3.012 0 40 HGAB O=C(N[C@@H]1C(=O)N/[N+](=C\c2ccccc2)[C@@H]1c1ccccc1)c1ccc(Cl)cc1 409061218 BZSUVPMUOCJDBU-LADMSCKDSA-O 404.877 3.356 0 40 HGAB COc1ccc(C)cc1NC(=O)COc1ccc(S(=O)(=O)NCC(C)C)cc1C 409379885 AXLBCKJBEGBRHQ-UHFFFAOYSA-N 420.531 3.264 0 40 HGAB C[C@H](CNC(=O)c1cn(-c2cccc(Cl)c2F)nn1)N1CCc2sccc2C1 540692826 UVGUHXRDBFXFLE-GFCCVEGCSA-N 419.913 3.298 0 40 HGAB O=C(CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]12)N1CCc2ccccc2C1 604419525 CSCHRWHXEHSLFO-DEOSSOPVSA-N 423.472 3.386 0 40 HGAB O=C(Nc1ccc(Br)cn1)C1CCN(C(=O)[C@H]2Cc3ccccc32)CC1 607055057 NWJWUGSSJKRGKX-KRWDZBQOSA-N 414.303 3.361 0 40 HGAB Cc1nc(CC(=O)N2CCCCNC(=O)c3cc(Cl)ccc3OCCC2)cs1 643558579 QGZJSSRICAHIPU-UHFFFAOYSA-N 421.950 3.469 0 40 HGAB O=C(c1cc(Br)cc(C(F)(F)F)c1)N1CCC(n2cnnc2O)CC1 1139721691 JHXCTZSPRCRANR-UHFFFAOYSA-N 419.201 3.242 0 40 HGAB CSCC[C@H](NC(=O)c1cc2c(cc1Cl)NC(=O)C2)c1nnc2ccccn12 1515150732 LHKFQMJEXVNHRZ-AWEZNQCLSA-N 415.906 3.102 0 40 HGAB O=C(Cc1cn2c(n1)CCCC2)N[C@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1 1615613077 OZWZKKKFVNFYLI-HNNXBMFYSA-N 411.456 3.035 0 40 HGAB Fc1ccc(-c2ccc(N3CCN(Cc4nnc(C(F)(F)F)o4)CC3)nn2)cc1 1775975248 DVGUXESZUQAIMH-UHFFFAOYSA-N 408.359 3.007 0 40 HGAB COc1ccc(CCC(=O)N2C[C@@H]3CN(c4ccc(C(C)(C)C)nn4)C[C@H]3C2)cc1 1888888290 UESFKYRBXXYYHY-OALUTQOASA-N 408.546 3.310 0 40 HGAB O=C(CCn1ccn2nc(-c3ccc(F)cc3)cc2c1=O)NCCc1ccccc1 1889031971 AKDXHRWXQHXQGH-UHFFFAOYSA-N 404.445 3.051 0 40 HGAB Cc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)c(Br)c1 29000649 GUBPLMONABTMOQ-GFCCVEGCSA-N 417.259 3.478 0 40 HGAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(C)cc3)C2)cc1 809626 ADUNGNKMWAETOK-QGZVFWFLSA-N 402.516 3.433 0 40 HGAB CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)N3CCCC3)cc2c1 890223 XREVWSXGPTXSQL-FQEVSTJZSA-N 408.506 3.214 0 40 HGAB COc1ccc(NCc2nnc(SCC(=O)Nc3ccc(OC)cc3)n2C)cc1 917839 RIYPDTPCCWJADG-UHFFFAOYSA-N 413.503 3.175 0 40 HGAB Cc1cccc2cc(CN(Cc3ccco3)C(=S)NC[C@H]3CCCO3)c(=O)[nH]c12 1224271 FGPLSDYOWWIYKS-GOSISDBHSA-N 411.527 3.485 0 40 HGAB O=C(OCC(=O)N1CCc2ccccc21)c1cccc(I)c1 3265388 ZDYSCYPEJMPWGR-UHFFFAOYSA-N 407.207 3.037 0 40 HGAB Cc1ccsc1C(=O)OCC(=O)Nc1ccccc1I 3519063 SULHOOQIIBWIRQ-UHFFFAOYSA-N 401.225 3.457 0 40 HGAB Cc1c(C)c(C)c(S(=O)(=O)N(C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)c(C)c1C 32551970 SOHLYSIJQWSPOH-QGZVFWFLSA-N 424.588 3.258 0 40 HGAB COc1ccc2oc(C(=O)O[C@@H](C)C(=O)NC(=O)NC3CCCCC3)c(C)c2c1 4319149 WMXDERVPGSLMCX-ZDUSSCGKSA-N 402.447 3.454 0 40 HGAB CCn1c(Cc2ccc(OC)c(OC)c2)nnc1SCC(=O)Nc1nccs1 7610204 KVVUWBDSWMBGKA-UHFFFAOYSA-N 419.532 3.093 0 40 HGAB COc1ccc(S(=O)(=O)NCCCc2ccccc2)cc1C(=O)N1CCCCC1 10110314 SASJEHNKYKERRW-UHFFFAOYSA-N 416.543 3.232 0 40 HGAB CCOc1ccccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 8039926 PTXGTYRNGCUVJZ-CQSZACIVSA-N 416.861 3.274 0 40 HGAB C[C@H]1CCc2c(sc(NC(=O)[C@H]3[C@@H](C(=O)O)[C@H]4C=C[C@H]3C4)c2C(=O)NC2CC2)C1 102339941 NMGHWFRUXCRMIJ-GYUMKREUSA-N 414.527 3.227 0 40 HGAB O=C(c1c[nH]n2c1nc(=O)c1ccccc12)N1CCC(c2nc3ccccc3o2)CC1 103256742 OQZHSFLDEBYYDP-UHFFFAOYSA-N 413.437 3.337 0 40 HGAB C[C@@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCC1)[C@@H]1C[C@H]2CC[C@H]1C2 103442116 DKAISZHYNUYTJS-DFEOGRTESA-N 419.591 3.092 0 40 HGAB C[C@H]1CCCC[C@]12NC(=O)N(CN1CCN(Cc3cccc4ccccc34)CC1)C2=O 22775547 QKBZUDWIOHERIE-DFBJGRDBSA-N 420.557 3.416 0 40 HGAB Cc1noc(-c2ccc(C(=O)Nc3cc(C(N)=O)ccc3N3CCCCC3)cc2)n1 23009651 FHUJJCMJNXSDGS-UHFFFAOYSA-N 405.458 3.387 0 40 HGAB O=C(COC(=O)c1ccc2c(c1)C(=O)N(c1cccc(O)c1)C2=O)c1ccccc1 991346 TYVARZGHFHDTNX-UHFFFAOYSA-N 401.374 3.233 0 40 HGAB C[C@H]1C[C@H](C)CN(CCCNC(=O)c2cccc(I)c2)C1 107681318 SNZAIHDSIFDCCD-KBPBESRZSA-N 400.304 3.389 0 40 HGAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@H](C)Sc2ccc(OC)cc2)c1 20104706 XFDKMWQEJYVNSF-LBPRGKRZSA-N 403.456 3.388 0 40 HGAB Cc1cc(NC(=O)[C@H](N[C@H](C)c2ccc(S(C)(=O)=O)cc2)c2ccccc2)no1 24208017 MCVGKSCQZZKDQF-FOIQADDNSA-N 413.499 3.417 0 40 HGAB CCOC(=O)c1cnn(-c2ccc(C(=O)Nc3ccc(-n4cccn4)nc3)cc2)c1C 24575869 TVSLIHZSTRBCIH-UHFFFAOYSA-N 416.441 3.190 0 40 HGAB Cc1cc(C)c(NC(=O)CNC(=O)[C@H](C(C)C)n2nnc(-c3ccccc3)n2)c(C)c1 59965071 MXDMFJBUMRPJJI-NRFANRHFSA-N 420.517 3.217 0 40 HGAB CN(C)[C@H](CNC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12)c1ccsc1 25329807 GYTGHWJNCVUPAX-HXUWFJFHSA-N 418.522 3.480 0 40 HGAB Cc1ccc(-c2c[nH]c([C@@H]3COCCN3Cc3ccc(S(C)(=O)=O)cc3)n2)cc1 67898697 QRIYVROOJFGVED-NRFANRHFSA-N 411.527 3.362 0 40 HGAB biogenic,in-vitro O=C(CN1CCN(c2ccc(F)cc2)CC1)Nc1ccc(Br)cc1F 57291805 TWKXRWSIZSGWRO-UHFFFAOYSA-N 410.262 3.488 0 40 HGAB Cc1ccc(C)c(-c2cc3c(=O)n(CC(=O)NCc4cccc(Cl)c4)ncn3n2)c1 51317115 UWSGDLLYFGPKDZ-UHFFFAOYSA-N 421.888 3.145 0 40 HGAB COc1ccc([C@H](NC(=O)Cc2ccc(N3CCCC3=O)cc2)c2nccn2C)cc1 12601351 UXTMALSCSMBMHK-QHCPKHFHSA-N 418.497 3.004 0 40 HGAB C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@@H](CN4CCN(c5ccccc5)CC4)[C@H]3[C@H](O)[C@@]21C 2152820 MAJIMOBMGHQQSS-BRKXNLHOSA-N 410.558 3.094 0 40 HGAB biogenic CCOCCCNC(=O)c1ccc(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1 2179231 WBUQIHKHDSZLKE-UHFFFAOYSA-N 424.950 3.463 0 40 HGAB COc1ccc(-c2nnc(CN(C)C(=O)c3occc3Br)o2)cc1OC 408714293 NEQWAJVDLPUHAV-UHFFFAOYSA-N 422.235 3.382 0 40 HGAB O=C(COC(=O)c1ccc2c(c1)OCO2)Nc1ncc(C(F)(F)F)cc1Cl 3304690 OTLHNQISHBXJNS-UHFFFAOYSA-N 402.712 3.278 0 40 HGAB Cc1ccc(NC(=O)CSc2nnnn2-c2ccc(O)cc2)c(Br)c1 3332713 QTWJOPDVZIGTTC-UHFFFAOYSA-N 420.292 3.170 0 40 HGAB O=C1C[C@]2(CON=C2c2ccc(F)cc2)C(=O)N1c1ccc(Br)cc1 2417831 JHDFFHWGYMHMSF-GOSISDBHSA-N 403.207 3.272 0 40 HGAB NC(=O)c1ccsc1NC(=O)COC(=O)CSc1cc(Cl)ccc1Cl 3406089 MOSBNDXMMVSHSI-UHFFFAOYSA-N 419.311 3.428 0 40 HGAB CCCNC(=O)NC(=O)COC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 3413363 QNFWOMKHTZVOAN-UHFFFAOYSA-N 400.275 3.117 0 40 HGAB O=C1COc2ccc(C(=O)COC(=O)c3ccccc3NCc3ccco3)cc2N1 3507096 MTYMOYQJLSMMKM-UHFFFAOYSA-N 406.394 3.262 0 40 HGAB Cc1nn(C)c2sc(C(=O)N(C)CC(=O)Nc3ccccc3Br)cc12 12900925 DUZIIAWTSNPABS-UHFFFAOYSA-N 421.320 3.416 0 40 HGAB CCc1ccc(-c2nn(CN(CC(C)C)[C@@H]3CCS(=O)(=O)C3)c(=S)[nH]2)cc1 12924286 FKBYEKGIXKLLMM-QGZVFWFLSA-N 408.593 3.273 0 40 HGAB CC[C@@H](C)n1c(SCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)nc2ccccc2c1=O 13016243 KBIJRIOXRRECAP-GFCCVEGCSA-N 423.498 3.268 0 40 HGAB COCCn1c(SCC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)nc2ccccc2c1=O 13141523 SIWBUQZSRQIEBR-YQQAZPJKSA-N 403.548 3.076 0 40 HGAB CCCCNC(=O)CSc1nnc(Cc2ccc(Cl)c(Cl)c2)c(O)n1 13111428 DVWOKHMCWKXNDT-UHFFFAOYSA-N 401.319 3.483 0 40 HGAB O=C(Nc1ccc(F)cc1Cl)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 8755941 DTIYJRCLQHIHMW-UHFFFAOYSA-N 421.881 3.279 0 40 HGAB C[C@H](Oc1ccc(Br)cc1Cl)C(=O)N1CCC2(CC1)OCCO2 13325385 RZLCZSQDLRDUBC-NSHDSACASA-N 404.688 3.235 0 40 HGAB O=C(CN1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)Nc1ccccc1O 18243739 NCHYGUASUCAENU-ULBZPVTCSA-N 424.456 3.223 0 40 HGAB COc1cccc(NC(=O)CSc2nnc(-c3cnccn3)n2Cc2ccco2)c1 13514424 HZJZNISUDFARDS-UHFFFAOYSA-N 422.470 3.116 0 40 HGAB O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)CCC1=O)c1ccc(Cl)cc1 13856830 RPRBMUALAOFVDG-UHFFFAOYSA-N 405.237 3.383 0 40 HGAB CCOCCCNC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccc(C)cc1 409118626 PYYKOPQQHPOVHW-UHFFFAOYSA-N 424.950 3.387 0 40 HGAB Cc1ccc(Cl)c(OCC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)c1 5347481 NJUBSURNHAXKTR-UHFFFAOYSA-N 408.907 3.450 0 40 HGAB Cc1cc(C(=O)COC(=O)Cc2ccc3c(c2)OCCO3)c(C)n1-c1nccs1 6604898 BXDRKCFLYUPQEG-UHFFFAOYSA-N 412.467 3.290 0 40 HGAB C[C@@]1(NC(=O)CCN2c3ccccc3Sc3ccccc32)CCS(=O)(=O)C1 5701401 KULWVXMGQAJANE-HXUWFJFHSA-N 402.541 3.373 0 40 HGAB Cc1ccc(CN(C(=O)c2ccc(OCC(C)C)cc2)[C@@H]2CCS(=O)(=O)C2)o1 6810328 MHNSJCRRNCZMJM-GOSISDBHSA-N 405.516 3.452 0 40 HGAB COc1ccc(-c2noc(CNS(=O)(=O)c3c(C)cc(C)cc3C)n2)cc1OC 4943834 CRHZGUJYCURXMO-UHFFFAOYSA-N 417.487 3.158 0 40 HGAB COC(=O)c1cccc(/N=c2\oc3cc(O)ccc3cc2C(=O)NC[C@@H]2CCCO2)c1 67298556 HVBXTZGEOIYYII-FGGSVNHKSA-N 422.437 3.066 0 40 HGAB Cc1cc(/C=C/C(=O)N2CCN(S(=O)(=O)c3cccs3)CC2)c(C)n1C1CC1 7283697 JWWDEYURYRJOCO-VMPITWQZSA-N 419.572 3.048 0 40 HGAB O=C(Cn1c(-c2cscn2)nc2ccccc21)N1CCN(c2ccc(O)cc2)CC1 9517020 YRCSMTLLYZVYMB-UHFFFAOYSA-N 419.510 3.214 0 40 HGAB COc1cc(OC)c(N2C[C@H](C(=O)Nc3ccc4c(c3)OCO4)CC2=O)cc1Cl 7598008 QETLZNUFOFREFN-LLVKDONJSA-N 418.833 3.078 0 40 HGAB O=C1COc2ccc(C(=O)COC(=O)CSCc3ccc(Cl)cc3)cc2N1 7786452 FCDBNLIPLRZCNF-UHFFFAOYSA-N 405.859 3.330 0 40 HGAB CC(C)Sc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 8040817 LVPCAUSBYKISPB-UHFFFAOYSA-N 420.556 3.460 0 40 HGAB Cc1cc(C(F)(F)F)c2c(=O)n(CC(=O)N3CCCc4ccccc43)n(C)c2n1 69529079 GXZTUDVMNGGQTB-UHFFFAOYSA-N 404.392 3.042 0 40 HGAB Cc1ccn2ncc(C(=O)N3CCC(CCN(C)C(=O)OC(C)(C)C)CC3)c2n1 95455852 RDQFAJMRLORWGT-UHFFFAOYSA-N 401.511 3.147 0 40 HGAB COc1ccc(CCc2nc(NC(=O)c3cccc4c3ccn4C)n[nH]2)cc1OC 79482776 CNOMJFJZEZCVAS-UHFFFAOYSA-N 405.458 3.351 0 40 HGAB C[C@@H](CCc1ccccc1)NC(=O)NC1CCN(CC(=O)Nc2ccccc2)CC1 29319807 BLWFDWMZZVHCTQ-IBGZPJMESA-N 408.546 3.410 0 40 HGAB COCCNC(=O)CSc1nc2sc(C)c(C)c2c(=O)n1-c1ccc(C)cc1 409203812 YDIBQXNPGGYWAQ-UHFFFAOYSA-N 417.556 3.227 0 40 HGAB CC(C)(C)NC(=O)CCn1c(=O)cc(C(F)F)c2cn(Cc3ccccc3)nc21 36621255 DAZFWUWZUWTSET-UHFFFAOYSA-N 402.445 3.489 0 40 HGAB Cc1nnc2ccc(N3CCC[C@@H](C(=O)Nc4ccc(C(F)(F)F)cc4)C3)nn12 32095188 PUIYPADTGQOGIA-CYBMUJFWSA-N 404.396 3.307 0 40 HGAB C[C@@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)N1CCc2ccccc2C1 409387371 ACHKPRKJICRFOW-GFCCVEGCSA-N 413.326 3.245 0 40 HGAB COC(=O)C1=C(N)Oc2cc(C)n(CCc3ccccc3)c(=O)c2[C@@H]1c1ccccc1 3849479 CNTREXUTWISTFP-FQEVSTJZSA-N 416.477 3.267 0 40 HGAB biogenic Cc1ccc(N(CCCC(=O)NCCCc2ccc(F)cc2)S(C)(=O)=O)cc1 219625575 PKWJQWHBSNLYMA-UHFFFAOYSA-N 406.523 3.429 0 40 HGAB COc1cccc(CNC(=O)c2cn(-c3ccc(-c4nc(C(C)C)no4)cn3)cn2)c1 71768313 PQAWVMSJAVRDAM-UHFFFAOYSA-N 418.457 3.379 0 40 HGAB O=C(Cn1cnc2ccccc2c1=O)N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1 36725768 NFOAZLRSXJGSCH-QFIPXVFZSA-N 423.476 3.373 0 40 HGAB COC(=O)[C@@]1(CC(=O)OCc2ccccc2)C(=O)C[C@H]2CC[C@@H]1N2Cc1ccccc1 72340220 GDTMPFQXOAQHNR-TYBLODHISA-N 421.493 3.285 0 40 HGAB CN(C)C(=O)c1sc2ccccc2c1[C@H]1CCN(CC(=O)NCc2ccccn2)C1 72352441 QIPQTSRHQAKKKB-INIZCTEOSA-N 422.554 3.104 0 40 HGAB O=C(c1cc(-c2ccccc2Cl)[nH]n1)N1CCN(Cc2cn3ccccc3n2)CC1 40082846 BAVUMIDCAXVONH-UHFFFAOYSA-N 420.904 3.336 0 40 HGAB CC(C)Oc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)COCC1CC1 40129506 HROXIZUDHICGOG-UHFFFAOYSA-N 410.536 3.014 0 40 HGAB CS(=O)(=O)N(CC(=O)NCc1cccc2ccccc12)c1ccc(F)cc1F 222881787 XQZNRYKYVIKJJS-UHFFFAOYSA-N 404.438 3.200 0 40 HGAB COc1ccc(CN(C(=O)COc2ccc(F)cc2)[C@@H](C)C(=O)NCC(C)C)cc1 224481386 GSKFNCYOQNYRTA-KRWDZBQOSA-N 416.493 3.403 0 40 HGAB CC(C)n1cnc2nc(COc3ccccc3NC(=O)c3cccs3)cc(=O)n21 41077139 ZMFVNTRHUDBPIY-UHFFFAOYSA-N 409.471 3.365 0 40 HGAB CCc1ccc([C@@H](C)NS(=O)(=O)c2ccc(OC)c(N3CCCC3=O)c2)cc1 223687381 VHLMRZNIGSEBEH-OAHLLOKOSA-N 402.516 3.424 0 40 HGAB COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)[C@@H](C)Oc1cccc(C)c1 44904718 JQTYGRAKDFSBSZ-OAHLLOKOSA-N 406.504 3.096 0 40 HGAB Cc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)nc1 223257269 VSOVMBPFTUPYMW-RTWAWAEBSA-N 406.559 3.110 0 40 HGAB S=C(NCc1ccco1)Nc1nc(Oc2ccccc2)cc(N2CCOCC2)n1 225912041 WSDHTUZVRPPFGD-UHFFFAOYSA-N 411.487 3.185 0 40 HGAB Cc1ccc(C)c(N(CC(=O)NCCOc2ccc(C)c(Cl)c2)S(C)(=O)=O)c1 224129120 BSPAUCYHCKPEHU-UHFFFAOYSA-N 424.950 3.226 0 40 HGAB COC(=O)c1ccc(NC(=O)c2cc3cc(N(C)S(C)(=O)=O)ccc3s2)cc1 46058071 CRAAQMYBTKLJJW-UHFFFAOYSA-N 418.496 3.336 0 40 HGAB COc1ccc(S(=O)(=O)N[C@H](C)c2ccc3c(c2)CCC3)cc1C(=O)NC(C)C 223203956 MPCBDUJWMCPLTP-OAHLLOKOSA-N 416.543 3.362 0 40 HGAB CCN1CC[C@]2(CN(Cc3cccnc3)CC23CCN(Cc2cccs2)CC3)C1=O 96036454 OEBKTKIJEKZZCR-DEOSSOPVSA-N 424.614 3.480 0 40 HGAB O=C(C[C@H]1CC2(CCN(C(=O)C3CCCC3)CC2)c2ccccc21)N1CCOCC1 96242198 PKDZRGQYTRRNJQ-FQEVSTJZSA-N 410.558 3.473 0 40 HGAB Cc1ccc(C)c(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCCC[C@H]4C)nc(O)c32)c1 253567708 KJFURFLTHJBMKO-CABCVRRESA-N 409.490 3.242 0 40 HGAB COc1ccc(C)cc1N([C@H](C)C(=O)N[C@H](C)CCc1ccccc1)S(C)(=O)=O 260592373 VPWHIGYBXAFMAH-QZTJIDSGSA-N 418.559 3.296 0 40 HGAB CN(C)[C@@H](CNC(=O)c1cc(-c2ccc(F)cc2)nn1C)c1ccc2c(c1)CCO2 90607248 FGQWPKMRLPRDHO-NRFANRHFSA-N 408.477 3.194 0 40 HGAB CO[C@@H](C(=O)N1CCC(OC)(c2nc(CC(F)(F)F)no2)CC1)c1ccccc1 516881882 JBIHMMFPKVYZLT-OAHLLOKOSA-N 413.396 3.026 0 40 HGAB CCc1c(C)sc(NC(=O)CN2CCN(c3cccc(C)c3)[C@@H](C)C2)c1C(N)=O 5677717 XKIMQMYARWOZMB-HNNXBMFYSA-N 414.575 3.175 0 40 HGAB CCOC(=O)[C@@H]1CCCN(C(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)C1 15721670 SASYQQHGWYFKIA-CYBMUJFWSA-N 406.280 3.255 0 40 HGAB COc1cccc(C(=O)N2CC[C@@](Cc3ccccc3-c3ccncc3)(C(N)=O)C2)c1 19564204 WRQBSTODXTZYES-VWLOTQADSA-N 415.493 3.318 0 40 HGAB COc1ccc(-c2cnc(N(C)C)nc2[C@@H]2CN(c3nc(C)cc(C)n3)CCO2)cc1 19692812 ZVAQKWDHRAZFHQ-FQEVSTJZSA-N 420.517 3.203 0 40 HGAB CCOc1cc(C(=O)OC)cc(I)c1OCc1cccnc1 226321457 WHRWPGUBABLABP-UHFFFAOYSA-N 413.211 3.451 0 40 HGAB CC(C)CCN1CCC2(CCCCOCCCNC(=O)[C@H](CC(C)C)NC2=O)CC1 643581475 DZCUAZCKASOBCM-NRFANRHFSA-N 423.642 3.352 0 40 HGAB COc1ccc(OCC(=O)Oc2coc(CSc3nccc(C)n3)cc2=O)cc1 4377319 HAFAAONEDDWGFJ-UHFFFAOYSA-N 414.439 3.024 0 40 HGAB COc1ccc(CNC(=O)C[C@@H]2CCCCN2S(=O)(=O)c2cccs2)cc1 15391323 IBMLFZMGYFMQBZ-INIZCTEOSA-N 408.545 3.006 0 40 HGAB CCCS(=O)(=O)N1CCCc2cc(NS(=O)(=O)c3cccs3)ccc21 17287051 WHXRJYPBKUSCBH-UHFFFAOYSA-N 400.547 3.041 0 40 HGAB CN(C)[C@@H](CNS(=O)(=O)c1ccc2c(c1)CCO2)c1csc2ccccc12 575618636 AJSMVFBKVHEWBC-SFHVURJKSA-N 402.541 3.417 0 40 HGAB CCOc1ccc([C@@H]2CCCN2CN2C(=O)C(=O)N(Cc3cccs3)C2=O)cc1 30282564 BCGQXYCXDBWVFJ-SFHVURJKSA-N 413.499 3.232 0 40 HGAB COc1cc([C@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3ncnn32)cc(OC)c1OC 1418579 PGAJLFCDCJEJPL-IBGZPJMESA-N 421.457 3.232 0 40 HGAB CCCCc1cc(=O)oc2c(C)c(O[C@@H](C)C(=O)N[C@H](C(=O)O)C(C)C)ccc12 2106528 WUXNPQVTAAWSGM-LIRRHRJNSA-N 403.475 3.437 0 40 HGAB biogenic CCCN1C(=O)[C@@](O)(CC(=O)c2ccccc2O)c2cc(Br)ccc21 2217982 OMCNAXJJQBJMDK-LJQANCHMSA-N 404.260 3.372 0 40 HGAB COC(=O)c1[nH]c2cc(OC)ccc2c1NC(=O)[C@H](C)N1CCc2ccccc2C1 2259952 FJARGXHWAJTUOG-AWEZNQCLSA-N 407.470 3.348 0 40 HGAB COC(=O)c1c(N)n(CCCOC(=O)c2ccc(F)cc2)c2nc3ccccc3nc12 2304416 CDNWQKUFAOMXSO-UHFFFAOYSA-N 422.416 3.340 0 40 HGAB CCn1cc(CN(C)C(=O)Cn2nc(C(F)(F)F)c(Br)c2C)c(C)n1 2778703 NDSWIJQXNPAYQZ-UHFFFAOYSA-N 422.249 3.156 0 40 HGAB Cc1ccc(C)c(C(=O)COC(=O)CN2C(=O)N[C@]3(C[C@@H](C)CC(C)(C)C3)C2=O)c1 3380302 MNBBTQUQYBUIPW-WNSKOXEYSA-N 414.502 3.166 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)OCC(=O)c1ccccc1 3456118 DPCQXNHOFYVFAQ-UHFFFAOYSA-N 401.484 3.209 0 40 HGAB CCOC(=O)CCCNC(=O)CSc1nnc(Nc2cccc(C)c2C)s1 3463305 CIBIBXYHBXIZLG-UHFFFAOYSA-N 408.549 3.450 0 40 HGAB CCOC(=O)N1CCN(C(=O)CSc2ccc(-c3ccc(CC)cc3)nn2)CC1 4356283 AKHLQGVEPWTRTG-UHFFFAOYSA-N 414.531 3.099 0 40 HGAB COc1ccccc1CNC(=O)c1ccc(Cl)c(N2CCCCS2(=O)=O)c1 5135859 LPFWPMMJANNCQO-UHFFFAOYSA-N 408.907 3.209 0 40 HGAB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(Br)ccc1OC(F)F 5601021 RZHVIEGSEFNUTJ-GFCCVEGCSA-N 405.195 3.242 0 40 HGAB O=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)N[C@H]1CCCc2ccccc21 5957505 HECLKVIUYYIVJH-SFHVURJKSA-N 404.557 3.269 0 40 HGAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)CSc1nnc(-c2ccccc2)n1N 6507629 GYCJCYOCYOQILW-UHFFFAOYSA-N 419.514 3.192 0 40 HGAB Cc1ccc(C)c(OCCOC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c1 6553049 YCOZRVHVXHLQGH-UHFFFAOYSA-N 403.500 3.324 0 40 HGAB C[C@@H](Nc1cccc(S(=O)(=O)NCc2ccco2)c1)C(=O)Nc1ccccc1F 6582286 HHHBHCCMCWKIDT-CQSZACIVSA-N 417.462 3.336 0 40 HGAB COc1ccc(CC(=O)OCc2nnc(-c3cc(OC)c(OC)c(OC)c3)o2)cc1 6607857 RPCTTWFZRWZAFW-UHFFFAOYSA-N 414.414 3.057 0 40 HGAB O=C(COc1cc2oc(=O)c3c(c2cc1Cl)CCC3)NC[C@@H](O)c1ccccc1 6659046 QCFVKBMQZIGIQM-GOSISDBHSA-N 413.857 3.164 0 40 HGAB COc1cc(C)cc2oc(=O)c(CC(=O)N3CCN(c4ccccc4)CC3)c(C)c12 6660424 HKKWOIGDASOMSG-UHFFFAOYSA-N 406.482 3.310 0 40 HGAB O=C(CN1C(=O)S/C(=C/c2cccc(C(=O)O)c2)C1=O)Nc1ccc(F)cc1 6862991 ODDDMPHZEYJMJL-OQLLNIDSSA-N 400.387 3.199 0 40 HGAB CCN1CCN(C(=O)c2ccc([C@@H]3SCC(=O)N3CCc3ccccc3)cc2)CC1 6953444 LYGRVOARVKCMOA-DEOSSOPVSA-N 423.582 3.281 0 40 HGAB COc1cc2c(cc1OC)CN(C(=O)COC(=O)c1ccc3ccccc3c1O)CC2 7006706 JSPMFKAKMHCZGP-UHFFFAOYSA-N 421.449 3.304 0 40 HGAB COc1ccc(-c2cc3c(=O)n(CC(=O)Nc4cc(C)ccc4C)ccn3n2)cc1 7615961 QROUGFIECQCNNA-UHFFFAOYSA-N 402.454 3.427 0 40 HGAB CCOc1cc(/C=C/C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)ccc1OC 7802944 JQXLWBOMHJXLIW-VZUCSPMQSA-N 411.458 3.364 0 40 HGAB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(Cl)ccc2OC)C1=O 8088150 HNCUZWWSTUXNCG-GZTJUZNOSA-N 413.861 3.442 0 40 HGAB CC(C)[C@@H](NC(=O)C1=NN(c2ccccc2)C(=O)CC1)c1ccc2c(c1)OCCO2 8391554 LINHLGAWYIIYTI-JOCHJYFZSA-N 407.470 3.454 0 40 HGAB CCC12CN(C(=O)c3ccccc3)CC(CC)(CN(C(=O)c3ccccc3)C1)C2O 9048321 WKJUYLSVTKCHBM-UHFFFAOYSA-N 406.526 3.452 0 40 HGAB CCOC(=O)N1CCN(c2nc(Nc3ccc(C)cc3C)c3nccnc3n2)CC1 9074730 ONUPIUFODYQSDU-UHFFFAOYSA-N 407.478 3.059 0 40 HGAB Cc1ccc(C)c(NC(=O)CSc2nnc(-c3cc(-c4ccccc4)n[nH]3)n2N)c1 9110735 JWPIOHXNAIQLKK-UHFFFAOYSA-N 419.514 3.397 0 40 HGAB O=C(CN1C(=O)C(=O)N(C2CCCC2)C1=O)Nc1ccc(Cl)cc1C(F)(F)F 9316540 MGMXNQOCUCZQGF-UHFFFAOYSA-N 417.771 3.031 0 40 HGAB O=C(NCc1nnnn1-c1ccc(F)c(F)c1)C(c1ccccc1)c1ccccc1 9570933 UIQZNAIKZKOPKQ-UHFFFAOYSA-N 405.408 3.389 0 40 HGAB Cc1ccc(CNC(=O)COc2ccc(S(=O)(=O)NCc3ccccc3)cc2)cc1 9699953 HYDQWDFHYQSQIN-UHFFFAOYSA-N 424.522 3.169 0 40 HGAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CN[C@@H](c1ccc(F)cc1)C(C)C 9836241 WSXDPRDISNYBCL-OAQYLSRUSA-N 421.538 3.310 0 40 HGAB O=C(Cn1nc(-c2ccccc2)oc1=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 9885211 PMLHQNOPFOOLLQ-GOSISDBHSA-N 421.453 3.028 0 40 HGAB COC(=O)c1cc(CNC(=O)[C@H](C)Oc2ccc(Br)cc2)ccc1OC 9960622 ZHMQCMFIMDFUOK-LBPRGKRZSA-N 422.275 3.328 0 40 HGAB Cc1c(C)n2c3c(=O)n(CCC(C)C)c(=O)n(C)c3nc2n1[C@@H](C)c1ccccc1 10104141 JAIYVJHVCCIGGN-KRWDZBQOSA-N 407.518 3.422 0 40 HGAB O=C(Nc1ccccc1C(=O)NCCCn1ccnc1)c1ccc(Br)o1 10313227 IDNSPIKYEHCNRL-UHFFFAOYSA-N 417.263 3.311 0 40 HGAB CCOC(=O)c1c(NC(=O)CNc2ccccc2C(N)=O)sc2c1CC[C@@H](C)C2 10842258 VBHCEELMMWWQTA-GFCCVEGCSA-N 415.515 3.199 0 40 HGAB O=C1N[C@]2(COC3(CCN(C(=O)C4(c5ccccc5)CC4)CC3)C2)Nc2ccccc21 12085450 JCTHMJUOVSXDMV-RUZDIDTESA-N 417.509 3.052 0 40 HGAB C[C@@H](Sc1nc(CCC2CCCC2)n[nH]1)C(=O)NCc1ccc2c(c1)OCO2 12104712 LELJFVXMNLILBS-CYBMUJFWSA-N 402.520 3.453 0 40 HGAB CCCS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)Cc3cccc(C)c3)cc21 12180639 PSDZBTGNESYSAH-UHFFFAOYSA-N 422.572 3.429 0 40 HGAB Cc1nn(CC(=O)Nc2ccccc2F)c(=O)c2c1cnn2-c1cccc(Cl)c1 12228101 BLUHIISPIMJANS-UHFFFAOYSA-N 411.824 3.322 0 40 HGAB Cc1nc(C)c(CC(=O)N2CCC[C@H](c3nc4ccccc4cc3C(N)=O)C2)s1 12256333 IAAXLBLSMZMGAW-INIZCTEOSA-N 408.527 3.356 0 40 HGAB COCCn1c(SCc2c(F)cccc2Cl)nnc1-c1cn(C)nc1OC 12422670 LPVADAKWHVZDON-UHFFFAOYSA-N 411.890 3.418 0 40 HGAB Cc1ccc(NC(=O)c2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)c(Cl)c1 12763488 RKGWBXNHZNNNBN-OAHLLOKOSA-N 408.907 3.358 0 40 HGAB Cc1ccc(CN2C[C@H](C(=O)NCC(=O)Nc3cccc(Cl)c3C)CC2=O)cc1 12906128 UAJZANQIDNQEDM-QGZVFWFLSA-N 413.905 3.060 0 40 HGAB O=C(NCc1ccncc1)C1CCC(CNS(=O)(=O)c2ccc(Cl)cc2)CC1 13687997 BICUTHRQXKDXLJ-UHFFFAOYSA-N 421.950 3.136 0 40 HGAB Cc1ccc(S(C)(=O)=O)cc1C(=O)Nc1cccc(Cl)c1N1CCOCC1 14126463 WWCQEWBVMSGHEK-UHFFFAOYSA-N 408.907 3.141 0 40 HGAB CCN1CCN(C(=O)c2ccc(C)c(S(=O)(=O)Nc3cc(C)ccc3C)c2)CC1 14154035 BHIYXWSRTBQBHW-UHFFFAOYSA-N 415.559 3.190 0 40 HGAB C[C@@H](NC(=O)c1cc(-c2ccc(Cl)cc2)on1)c1ccc(S(N)(=O)=O)cc1 14224977 CVJSNOBMNPUTFR-LLVKDONJSA-N 405.863 3.133 0 40 HGAB NC(=O)N[C@H](CC(=O)OCc1cc(Cl)c2c(c1)OCCCO2)c1cccs1 14413799 VXRNXRCCLFQFFQ-CYBMUJFWSA-N 410.879 3.406 0 40 HGAB Cc1cc(=O)[nH]c(-n2nc(C)c(CCC(=O)Nc3cccc(C(F)(F)F)c3)c2C)n1 16849594 RJUCWMHPVZTWDZ-UHFFFAOYSA-N 419.407 3.471 0 40 HGAB Cc1cc(O)n2nc(CC(=O)Nc3ncc(Cc4ccccc4Cl)s3)nc2n1 19117400 XCLMDBMTOBLXRK-UHFFFAOYSA-N 414.878 3.020 0 40 HGAB Cc1cccnc1CN(Cc1ccccc1)C(=O)C[C@H]1C(=O)NCCN1C1CCCC1 19237764 NNJJNHRGDFZQEF-QHCPKHFHSA-N 420.557 3.052 0 40 HGAB Fc1ccccc1OCCN1CCC[C@H]([C@@H]2C[C@H](C(F)(F)F)n3ncnc3N2)C1 19368132 IYWNOGBPUAYTJT-JLJPHGGASA-N 413.419 3.496 0 40 HGAB O=C1NCCN(C(=O)Cc2cccnc2)C[C@@H]1Cc1ccc(-c2ccccc2F)cc1 19368396 QQRPCMJJPNYIQQ-NRFANRHFSA-N 417.484 3.248 0 40 HGAB O=C(c1ccncc1)N1CCc2nc(N3CCCC3)nc(Nc3ccccc3)c2C1 19373015 CFXLSHSMVIBDLS-UHFFFAOYSA-N 400.486 3.414 0 40 HGAB CC[C@@H](Oc1ccccc1F)C(=O)N1CC[C@H](c2cc(=O)[nH]c(-c3ccncc3)n2)C1 19499352 HHLRSVRRZKMUMK-QFBILLFUSA-N 422.460 3.145 0 40 HGAB CCOc1ccc(CC(=O)N(C)Cc2nc(N(C)C)ncc2-c2ccncc2)cc1 19532774 GRXXAPFOMPEVFP-UHFFFAOYSA-N 405.502 3.204 0 40 HGAB COc1cccc(CN2CCC[C@@H](c3nc(-c4ccncc4)cc(=O)[nH]3)C2)c1OC 19567846 RYTLECXNHRMZGX-GOSISDBHSA-N 406.486 3.229 0 40 HGAB Cc1cc(C(F)(F)F)c2c(=O)[nH]c([C@H]3CCN(C(=O)c4c(C)noc4C)C3)cc2n1 19568525 KEOSCIQXTXJLBE-LBPRGKRZSA-N 420.391 3.485 0 40 HGAB CN(Cc1nc(N2CCCC2)ncc1-c1ccncc1)C(=O)c1ccc2c(c1)OCO2 19586357 DDEMXFNDMQQAAC-UHFFFAOYSA-N 417.469 3.140 0 40 HGAB COc1cccc(-c2cccc(NC(=O)CN3C(=O)c4ccccc4S3(=O)=O)c2)c1 19654929 AQEGPVFUDYEWLU-UHFFFAOYSA-N 422.462 3.145 0 40 HGAB CNc1cc(C(=O)N2CCO[C@@H](c3ccc(Cc4ccccc4F)cn3)C2)ccn1 19692240 IHHPNVMWAHWOBS-OAQYLSRUSA-N 406.461 3.462 0 40 HGAB Cc1nc(C2CCN(C(=O)CN(C)C)CC2)nc2c1CCCN2CCc1ccccc1 19705738 SWPBCDWAQGXBTG-UHFFFAOYSA-N 421.589 3.048 0 40 HGAB Cc1nc2ccccc2c(=O)n1CC(=O)Nc1ccc2c(c1)nc(C(F)(F)F)n2C 19715244 LPRCRZVXFRAMLW-UHFFFAOYSA-N 415.375 3.249 0 40 HGAB Cc1sc2ncnc(N3CCC(C(=O)N[C@@H](C)CN4CCCC4)CC3)c2c1C 19716466 HWYXNELQLNDERI-AWEZNQCLSA-N 401.580 3.125 0 40 HGAB CCOc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccccc3)C2)cc1 19857121 YCULOXQODODXLG-GOSISDBHSA-N 402.516 3.266 0 40 HGAB CCN1CCN(C(=O)c2ccccc2NC(=O)Cn2ccc3ccc(F)cc32)CC1 20726208 UGZZISRKRFHYKN-UHFFFAOYSA-N 408.477 3.197 0 40 HGAB COc1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(C)cc2)cc1Cl 21870263 ADJRHLYOZXYQEJ-KRWDZBQOSA-N 408.907 3.449 0 40 HGAB COc1ccccc1CCCNC(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O 22337216 FZIABYJGVOWAII-UHFFFAOYSA-N 424.950 3.172 0 40 HGAB CCc1c(C(=O)N2CCC[C@H](c3nnc4ccccn34)C2)cnn1-c1ccccc1 24457682 BFHUFPLZUQGAGX-KRWDZBQOSA-N 400.486 3.497 0 40 HGAB CSCC[C@H](NC(=O)c1ccco1)C(=O)NCc1ccc(OC(F)(F)F)cc1 24831706 KPYCJAMYLKLMMP-AWEZNQCLSA-N 416.421 3.346 0 40 HGAB O=C(NC1CCN(Cc2nc(O)c3oc4ccccc4c3n2)CC1)c1ccccc1 25828802 CSMOAGCSZXSOQL-UHFFFAOYSA-N 402.454 3.476 0 40 HGAB CNS(=O)(=O)c1ccc(C(=O)N2CCc3sccc3[C@@H]2c2ccccc2)cc1 25899539 FWVUDXSTEGQUCX-FQEVSTJZSA-N 412.536 3.444 0 40 HGAB COC(=O)C1=C(C)N=c2s/c(=C/c3cccs3)c(=O)n2[C@H]1/C=C/c1ccccc1 27027027 XUSQCLRADHYPOY-XKKVQKNISA-N 422.531 3.135 0 40 HGAB Fc1ccc(Nc2nc(Nc3ccc4c(c3)OCO4)nc(N3CCOCC3)n2)cc1 27546286 LWUGWMYFOZAUSO-UHFFFAOYSA-N 410.409 3.063 0 40 HGAB COc1ccc(C(=O)N2CCN(C(=O)c3nc(-c4ccccc4)oc3C)CC2)cc1 30899761 ZPTZYQIMGSDHQA-UHFFFAOYSA-N 405.454 3.257 0 40 HGAB CC(C)(C)c1nc2cc(NS(=O)(=O)c3ccc(OCC(=O)O)cc3)ccc2o1 32595222 LUIATKOCEYPACO-UHFFFAOYSA-N 404.444 3.390 0 40 HGAB CCOC(=O)CN1CCc2cc(OC)c(OC)cc2[C@@H]1c1cc(Cl)ccc1N 34835603 NWPUCMXGRVFJSU-OAQYLSRUSA-N 404.894 3.450 0 40 HGAB COc1ccc(NC(=O)CCCNC(=O)CCNC(=O)c2ccc(Cl)cc2)cc1 41156232 MWUGLQFLVSQWLP-UHFFFAOYSA-N 417.893 3.004 0 40 HGAB COc1ccccc1C(=O)NCCC(=O)N1CCn2cccc2[C@@H]1c1ccccc1 44575895 SEDOGZTUERHUNI-QHCPKHFHSA-N 403.482 3.248 0 40 HGAB CC(C)(C)c1n[nH]c(SCC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)n1 48302989 DBPFUTXWRPWLGG-UHFFFAOYSA-N 401.536 3.072 0 40 HGAB Cc1cccc(OCCNC(=O)Nc2cccc(S(=O)(=O)NC(C)(C)C)c2)c1 48365925 CBHQOEUIYBCPQS-UHFFFAOYSA-N 405.520 3.272 0 40 HGAB O=C(Nc1ccccc1Cn1cncn1)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1 55968905 VNOUGFZQARKUMD-LJQANCHMSA-N 411.465 3.471 0 40 HGAB CC1CCN(CC2CCN(Cc3nc4sc5c(c4c(=O)[nH]3)CCC5)CC2)CC1 58296518 XKZMZCVVAAVWRA-UHFFFAOYSA-N 400.592 3.417 0 40 HGAB Cc1cccc(C(=O)N2CCCC2)c1NC(=O)N1CCNC(=O)C[C@@H]1c1ccccc1 65490174 PWJYSMWBPXCVGW-HXUWFJFHSA-N 420.513 3.326 0 40 HGAB Cc1cccc(NC(=O)c2cc3ccc(O)cc3o/c2=N\c2ccc(C(N)=O)cc2)n1 67297877 XUCNCXHWEAXFSF-RWEWTDSWSA-N 414.421 3.425 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2ccc(N3CCOCC3)nc2)cc1 72216200 MRIYTYMADSTKNZ-HXUWFJFHSA-N 401.532 3.143 0 40 HGAB COc1cc(NC(=O)CN2CCC[C@@H]2CC(=O)c2ccccc2)cc(OC)c1OC 95412436 BOQZJULYUFTSFZ-GOSISDBHSA-N 412.486 3.388 0 40 HGAB CCOC(=O)c1cc(NC(=O)Nc2nnc(Cc3cccc(OC)c3)s2)cn1C 95450307 QHNOQVYQXOBYIH-UHFFFAOYSA-N 415.475 3.297 0 40 HGAB Cn1c(=O)c2c(nc(Sc3ccccc3)n2CCSc2ccccc2)n(C)c1=O 96306461 BGZCEXDKJHWTNS-UHFFFAOYSA-N 424.551 3.377 0 40 HGAB COc1ccc([C@H]2[C@H]3C(=O)N(c4cccc5ccccc45)C(=O)[C@@H]3N3CCCN23)cc1 101264326 FNIWUJASFHKNMA-XPWALMASSA-N 413.477 3.384 0 40 HGAB Cc1c(NC(=O)[C@H](C)OC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)c(=O)n(-c2ccccc2)n1C 102182345 DSGCANXLKAXDAP-XLAORIBOSA-N 411.502 3.181 0 40 HGAB O=C1C[C@H](NNc2c(F)c(F)c(F)c(F)c2F)C(=O)N1c1ccc(Cl)cc1 102960220 HIQRSBKMKPMGNZ-QMMMGPOBSA-N 405.710 3.284 0 40 HGAB CCCS(=O)(=O)N1CCC[C@@H](C(=O)N[C@H](C)c2cccc(Br)c2)C1 109030830 CSLNQBBMTSRXED-UKRRQHHQSA-N 417.369 3.078 0 40 HGAB CSc1ccccc1NC(=O)[C@H](C)N(c1ccc(F)c(F)c1)S(C)(=O)=O 113957676 YMTAEDCZHHKECC-NSHDSACASA-N 400.472 3.480 0 40 HGAB CC(=O)c1cccc(NC(=O)CCCCCN2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@@H]3C2=O)[C@@H]2C[C@H]42)c1 222453599 AQIZKCBRIYLJCU-NFOZHWPDSA-N 420.509 3.441 0 40 HGAB COc1cc(NC(=O)c2ccc(N(C)S(C)(=O)=O)c(C)c2)c(OC)cc1Cl 222477802 XPKLUFYOHLIMGP-UHFFFAOYSA-N 412.895 3.314 0 40 HGAB O=C(O)c1cccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCO)o2)c1 223593432 NMGGAEQRYSCUNS-OALUTQOASA-N 409.467 3.005 0 40 HGAB COc1ccc(N([C@@H](C)C(=O)Nc2ccc(N3CCCC3)cc2)S(C)(=O)=O)cc1 224905703 LKRPXZGNJWNVNU-INIZCTEOSA-N 417.531 3.089 0 40 HGAB COc1ccc(N2CC[C@@](C)(C(=O)Nc3ccc(OC(C)C)cc3)S2(=O)=O)cc1 225950069 LRLCSXGBINBWNZ-NRFANRHFSA-N 418.515 3.420 0 40 HGAB Cc1cc(Cl)c2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2[C@@H]2CCCN21 247939454 UGLPDDLJAMAXJN-DWKCODDLSA-N 421.884 3.080 0 40 HGAB CN(CCc1ccccn1)C(=O)[C@H]1C[C@H]2CC[C@@]1(C)C[C@]21NC(=O)c2ccccc2O1 253597057 ZPFSEKJMBPOXEM-HWKVCKQJSA-N 419.525 3.428 0 40 HGAB C[C@@H](Oc1cccc(F)c1)C(=O)N1CCC(c2cncc(Nc3ncccn3)n2)CC1 257301566 RYZOCRWUCBAJMS-OAHLLOKOSA-N 422.464 3.323 0 40 HGAB Cc1ccc(CN2CCOC[C@]3(CC[C@H](CNC(=O)c4ccc(C)cc4)O3)C2)cc1 306135788 PAXKMWPDJXWEKB-NOZRDPDXSA-N 408.542 3.483 0 40 HGAB CCCCOC(=O)c1ccc(NC(=O)[C@H](C)N(c2ccccc2)S(C)(=O)=O)cc1 408629488 BWNWNSXRLYRHIG-INIZCTEOSA-N 418.515 3.437 0 40 HGAB CS(=O)(=O)N(CC(=O)Nc1ccc(F)c(F)c1)c1cccc(Br)c1 409273102 VKTXORRYBXKVPV-UHFFFAOYSA-N 419.247 3.132 0 40 HGAB O=C(Cc1cc2ccccc2nc1O)N[C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 535757701 DBFIVRIXLRWOLF-CQSZACIVSA-N 413.836 3.197 0 40 HGAB CCn1cc(CN2CCC3(CC2)CC(NC(=O)c2nnsc2C(C)C)C3)cn1 585104110 WFKUQAJEPKQJFL-UHFFFAOYSA-N 402.568 3.053 0 40 HGAB COCC(=O)N1CCCN(Cc2ccccc2)CCNCc2ccc(Cl)cc21 643588130 BPIPLHKPVMUOSH-UHFFFAOYSA-N 401.938 3.315 0 40 HGAB C[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 921121 WGQZTJXEISBSNP-LPHOPBHVSA-N 414.593 3.108 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cc(C)ccc3OC)C2)cc1 1363344 DQUQUAXELDHSKB-MRXNPFEDSA-N 418.515 3.052 0 40 HGAB COc1ccc(CNC(=O)CN2C(=O)N[C@](C)(c3ccc(C(C)(C)C)cc3)C2=O)cc1 2662868 HKDREAPESLPYEQ-XMMPIXPASA-N 423.513 3.076 0 40 HGAB CCOC(=O)[C@@H](C)Oc1cccc2c(=O)n(CC(=O)Nc3cccc(F)c3)ccc12 2712291 XBDTWOPFONKJDO-CQSZACIVSA-N 412.417 3.110 0 40 HGAB CCCCOC(=O)c1ccc(NC(=O)c2cc3c(=O)n4ccccc4nc3n2C)cc1 2917143 OTTHQJOPZBSCBV-UHFFFAOYSA-N 418.453 3.395 0 40 HGAB COc1cc(CC(=O)OCC(=O)Nc2ccc(C)cc2Cl)cc(OC)c1OC 3216294 OLKKNNRMEOTSJC-UHFFFAOYSA-N 407.850 3.399 0 40 HGAB O=C(O)c1cccc(S(=O)(=O)Nc2ccccc2C(=O)NCCc2ccccc2)c1 3328488 ZSDASNTVIFJMHX-UHFFFAOYSA-N 424.478 3.158 0 40 HGAB COC[C@H](C)n1c(SCC(=O)Nc2cccnc2Cl)nc2ccccc2c1=O 3590398 ANCFFHXKEQCIJR-LBPRGKRZSA-N 418.906 3.383 0 40 HGAB Cc1cccc(NC(=O)CSc2ncnc3c2nnn3Cc2ccc(F)cc2)c1 4166427 ISGYFJJHRWYQCZ-UHFFFAOYSA-N 408.462 3.448 0 40 HGAB Cc1cc(C)cc(NC(=O)CSc2nn3c(=O)c(C(C)(C)C)nnc3s2)c1 4569849 LNDGFQMFHMLRQR-UHFFFAOYSA-N 403.533 3.191 0 40 HGAB C[C@@H](NC(=O)/C(=C\c1ccco1)NC(=O)c1ccccc1)C(=O)OCc1ccccc1 4843988 PUPSRUOIBCGTJO-WNSCPLKPSA-N 418.449 3.299 0 40 HGAB CC(C)NC(=O)CSc1nc2ccccc2n1CC(=O)N1C[C@@H](C)C[C@@H](C)C1 4859319 BZQODSHANMZLPQ-IYBDPMFKSA-N 402.564 3.158 0 40 HGAB Cc1cc(C)n2nc(C(=O)OCC(=O)Nc3c(Cl)ccc(C)c3Cl)nc2n1 5021444 XOANGVXHOZZFNT-UHFFFAOYSA-N 408.245 3.152 0 40 HGAB COc1cccc(-n2nnc3c(=O)n(Cc4cccc(C(F)(F)F)c4)cnc32)c1 5033175 HNSBURQLHWJPSU-UHFFFAOYSA-N 401.348 3.053 0 40 HGAB O=C(c1cccs1)[C@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@H]2CCCN21 5443507 GSWJGDVCOGRWDV-MWQQHZPXSA-N 400.887 3.237 0 40 HGAB O=C1/C(=C/NCCO)c2ccccc2C(=O)N1c1cc(C(F)(F)F)ccc1Cl 6197637 FIYMIBUWTIHHFL-GXDHUFHOSA-N 410.779 3.469 0 40 HGAB CC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccc(C)cc3C)cc2)CC1 6255700 JGNWDLLXHKMUFO-UHFFFAOYSA-N 410.543 3.099 0 40 HGAB CC(C)[C@H](NC(=O)CCCN1C(=O)c2ccccc2C1=O)c1nc2ccccc2[nH]1 6648972 SMVNIPDVUOQJSJ-FQEVSTJZSA-N 404.470 3.453 0 40 HGAB C[C@H](Sc1nnc(-c2ccco2)n1Cc1ccccc1)C(=O)NC[C@@H]1CCCO1 6785092 ZNFKQXJYFGCRDI-RDJZCZTQSA-N 412.515 3.362 0 40 HGAB COc1ccc(CNC(=O)[C@@H]2CC(=O)N(c3cc(Cl)c(OC)cc3OC)C2)cc1 7969462 PRDBUFCUWUWRSG-CQSZACIVSA-N 418.877 3.035 0 40 HGAB COCCN(Cc1nnc(-c2cccs2)o1)C(=O)C[C@H]1OC(=O)c2ccccc21 8039202 VWZCNIWBOVRRJJ-OAHLLOKOSA-N 413.455 3.075 0 40 HGAB CCc1cccc(CC)c1N1C[C@H](C(=O)OCC(=O)Nc2ccc(F)cc2)CC1=O 8039687 XUFWVLSJYINQFF-QGZVFWFLSA-N 412.461 3.485 0 40 HGAB COCCn1c(S[C@H](C)C(=O)N[C@H]2CCCC[C@@H]2C)nc2ccccc2c1=O 8229960 SZMJAXCCUBQPFL-UXLLHSPISA-N 403.548 3.218 0 40 HGAB COc1ccc(NC(=O)Cn2nc(-c3ccccc3)c3sc(C)nc3c2=O)cc1 8954993 FWQUMJOFCRAAID-UHFFFAOYSA-N 406.467 3.476 0 40 HGAB COc1ccc(C(=O)N2CCN(c3ncnc4c3[nH]c3ccc(OC)cc34)CC2)cc1 9481369 SHKWLUPWGBFKFM-UHFFFAOYSA-N 417.469 3.091 0 40 HGAB CCCCCCc1c(C)nc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)[nH]c1=O 9484273 AEBNWBGYQJVYNV-UHFFFAOYSA-N 412.534 3.252 0 40 HGAB COc1cccc(-c2nc(COC(=O)C3CCN(C(C)=O)CC3)cs2)c1OC 9513343 YUUYKPOSTBWJAR-UHFFFAOYSA-N 404.488 3.129 0 40 HGAB COc1ccccc1OCCNCc1cc2c(C)nn(-c3ccc(F)cc3)c2[nH]c1=O 12186874 BWPZLJLCWGBBHW-UHFFFAOYSA-N 422.460 3.339 0 40 HGAB CCCCn1c(N2CCN(C(=O)CC)CC2)nc2sc3c(c2c1=O)CCCC3 12321289 PMRPVAXRQITDGX-UHFFFAOYSA-N 402.564 3.196 0 40 HGAB CC(=O)N1Cc2ccccc2OC2(CCN(CC(=O)N3[C@H](C)CCC[C@H]3C)CC2)C1 12365540 FBFUYRSMRPPPEN-RTBURBONSA-N 413.562 3.052 0 40 HGAB COc1cccc(C(=O)NCCN2C(=O)S/C(=C/c3cccs3)C2=O)c1OC 12488759 PDEDOUDWJPTXDD-RVDMUPIBSA-N 418.496 3.232 0 40 HGAB COc1cc(C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)ccc1C 12768572 CILCWMSSWBNQDL-UHFFFAOYSA-N 402.516 3.108 0 40 HGAB O=C(OCc1cccc(F)c1F)c1ccc(Cl)c(S(=O)(=O)NC2CC2)c1 12883842 WGBFNZIIFADBNK-UHFFFAOYSA-N 401.818 3.416 0 40 HGAB Cc1ccc2nc(-c3ccccc3)cc(C(=O)N3CCCN(S(C)(=O)=O)CC3)c2c1 12919104 NZSDDCSOYMMLPG-UHFFFAOYSA-N 423.538 3.318 0 40 HGAB Cc1cc(C)cc(NC(=O)CSc2nnc(-c3cccc(C)c3)n2CC(N)=O)c1 12976692 JLNLJTKQUHBWGD-UHFFFAOYSA-N 409.515 3.086 0 40 HGAB Cc1cccc(NC(=O)CNC(=O)[C@H]2CC(=O)N(Cc3ccccc3Cl)C2)c1C 12978643 DGGMPNBRRHRLLS-KRWDZBQOSA-N 413.905 3.060 0 40 HGAB Cc1ccc(S(=O)(=O)N(CCC(=O)N2C[C@@H](C)O[C@H](C)C2)c2ccccc2)cc1 12998980 GSRAMZQBSNFKQI-RTBURBONSA-N 416.543 3.216 0 40 HGAB CC(C)CNC(=O)COC(=O)c1ccccc1SCC(=O)Nc1ccc(F)cc1 13038421 ONERMGSJVRXOEM-UHFFFAOYSA-N 418.490 3.486 0 40 HGAB COc1ccccc1NC(=O)CSc1ccc(NC(=O)/C=C(/C)C(=O)O)cc1 13579234 QNROPSOWIDFDNO-QBFSEMIESA-N 400.456 3.395 0 40 HGAB CCCCNC(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C1 13677874 HCNIQIVUPPCZMT-ZDUSSCGKSA-N 407.363 3.452 0 40 HGAB COc1cc(C(C)=O)ccc1OCC(=O)NCCc1cc(Cl)c2c(c1)OCCO2 14200450 ZXKDCPIDUBUIDO-UHFFFAOYSA-N 419.861 3.060 0 40 HGAB Cc1ccc(NC(=O)COc2ccc(S(=O)(=O)N3CCCCC3)cc2)c(C)c1 16284945 KPIPRXWSQAOVQB-UHFFFAOYSA-N 402.516 3.496 0 40 HGAB C[C@@H](OC(=O)c1cc(Cl)c2c(c1)OCCCO2)C(=O)Nc1ccc2c(c1)OCO2 17756872 YSIGXUBUEMKRQV-LLVKDONJSA-N 419.817 3.414 0 40 HGAB COc1ccc([C@@H](CNC(=O)CNC(=O)c2cccc(Cl)c2)N2CCCC2)cc1 17911790 YVYDHSGVSFRUET-HXUWFJFHSA-N 415.921 3.032 0 40 HGAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)Cc1csc(-c2ccc(F)cc2)n1 18100370 KFOMZBFRNIOKJL-UHFFFAOYSA-N 408.458 3.387 0 40 HGAB CCC[C@@]1(C(=O)OCC)N[C@@H](c2cccs2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 19502080 VBMTZEQWPXOMBR-VDNWNZSNSA-N 412.511 3.300 0 40 HGAB CCOc1ncccc1C(=O)N[C@@H](Cc1cc(=O)[nH]c(C)n1)c1ccc(Cl)cc1 19531532 WZGHFAONYNZMNT-SFHVURJKSA-N 412.877 3.239 0 40 HGAB Cc1ccc2c(c1)cc(C(=O)N1CCC([C@H]3CCCCN3CC(=O)N(C)C)CC1)n2C 19746369 NBUZXVZQBOOZRM-JOCHJYFZSA-N 424.589 3.282 0 40 HGAB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1cc(Cl)ccc1OC 20009336 QSTWBWRHQWTXPZ-PBHICJAKSA-N 424.950 3.153 0 40 HGAB CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 20047920 ODNKFEBFZQODHN-RXVVDRJESA-N 412.486 3.400 0 40 HGAB O=C(Cc1csc(-c2ccccc2)n1)Nc1nc(CN2CCOCC2)cs1 21128090 CVOHUXZCLPBBTB-UHFFFAOYSA-N 400.529 3.280 0 40 HGAB O=C(c1ccc(=O)[nH]c1)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 22094985 CPLXOYMCXDHTBH-UHFFFAOYSA-N 409.436 3.201 0 40 HGAB O=C(Cn1nc(C2CC2)c2cnn(-c3ccc(F)cc3)c2c1=O)Nc1ccccc1 22768018 CKFYNCDXIQPTJA-UHFFFAOYSA-N 403.417 3.237 0 40 HGAB O=C(Nc1ccc(S(=O)(=O)C(F)F)cc1)c1ccc(OC[C@@H]2CCCO2)cc1 22917200 XROFGKJIFNMHMB-INIZCTEOSA-N 411.426 3.493 0 40 HGAB CCNS(=O)(=O)c1cccc(C(=O)OCc2c(C)cc(C)c(C(C)=O)c2C)c1 22990902 MZADAESBPQIIIR-UHFFFAOYSA-N 403.500 3.470 0 40 HGAB CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)N[C@@H](C)c2ccccc2F)cc1 23227263 HKZGCKZMYYWDOT-HNNXBMFYSA-N 420.506 3.306 0 40 HGAB CC[C@H](CNC(=O)CN(C)S(=O)(=O)c1ccc(Cl)s1)c1ccccc1 23747736 ALSVZAKSDNSYPW-CYBMUJFWSA-N 400.953 3.332 0 40 HGAB CCOC(=O)N1CCC(NC(=O)c2cccc(OCc3c(C)noc3C)c2)CC1 24064483 ACTSSEHSPKZYOP-UHFFFAOYSA-N 401.463 3.221 0 40 HGAB CCOc1cc(C(=O)NOCc2ccccc2)ccc1OCC(=O)N1CCCCC1 25035811 VONZPTYXYCYJHX-UHFFFAOYSA-N 412.486 3.338 0 40 HGAB COc1ccc([C@H]2CCCCCN2S(=O)(=O)c2ccc(OC)c(C(N)=O)c2)cc1 26764748 VBCPVSRDAAEPHI-LJQANCHMSA-N 418.515 3.109 0 40 HGAB CS(=O)(=O)NCCc1ccc(C(=O)OCc2ccc(OC(F)(F)F)cc2)cc1 26810252 SXBWRDOGQXEIBE-UHFFFAOYSA-N 417.405 3.034 0 40 HGAB O=C(Cn1ncc2ccccc2c1=O)NCc1ccc(CN2CCc3ccccc32)cc1 27590270 UBPCZACDKJSXIR-UHFFFAOYSA-N 424.504 3.276 0 40 HGAB CN(C)[C@@H](CNC(=O)CCNC(=O)c1ccc(Br)cc1)c1ccsc1 29140758 CLFHSNUCSFSSCG-INIZCTEOSA-N 424.364 3.050 0 40 HGAB NC(=O)[C@@H]1CC(C(=O)Nc2ccc(-c3cn4ccccc4n3)cc2)=NN1c1ccccc1 29443163 JVSKGEJNRNPWBU-NRFANRHFSA-N 424.464 3.060 0 40 HGAB O=C(Cc1noc(C(=O)NCCc2c[nH]c3ccc(Cl)cc23)n1)Nc1ccccc1 32093222 PVWLEAFUHNZLRU-UHFFFAOYSA-N 423.860 3.358 0 40 HGAB O=C1c2ccccc2C(=O)N1CCC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 32721395 LFHZLQPQMCTMOU-IBGZPJMESA-N 420.465 3.198 0 40 HGAB COc1cc(N2C[C@H](C(=O)N[C@@H](C)c3cccc(F)c3)CC2=O)cc(OC)c1OC 40068077 VYZLFUZNVMFVIU-DZGCQCFKSA-N 416.449 3.082 0 40 HGAB O=C(Nc1ccc(-n2cnnn2)cc1)[C@H]1CCCN(c2nc3ccccc3s2)C1 40114804 VBPOPJMCOMGHNI-AWEZNQCLSA-N 405.487 3.127 0 40 HGAB Cc1ccc(Cl)c(O[C@H](C)C(=O)N2C[C@H](C(=O)N(C)C)Oc3ccccc32)c1 45646701 STZDVDGCWOJEIT-AUUYWEPGSA-N 402.878 3.298 0 40 HGAB C[C@H](C(=O)Nc1cccc(NC(=O)c2csc(-c3cnn(C)c3)n2)c1)n1cccn1 48248086 PMVDFCUGCFDYKW-CYBMUJFWSA-N 421.486 3.192 0 40 HGAB COc1ccc(CCN2C[C@@H](C(=O)N(CCC(C)C)C3CC3)CC2=O)cc1OC 58172967 CLTHAHSQZCWTPT-SFHVURJKSA-N 402.535 3.132 0 40 HGAB COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1C(=O)Cc1cccc(F)c1 60388038 NPKFTDIHTULHJZ-SFHVURJKSA-N 401.434 3.075 0 40 HGAB O=C(c1ccc2[nH]cnc2c1)N1CCN(C(=O)C2(c3cccc(Cl)c3)CC2)CC1 65516328 DSNHZYFNNHNYME-UHFFFAOYSA-N 408.889 3.233 0 40 HGAB Cc1nc(-c2ccccc2)n(CC(=O)Nc2ccc(F)c(Cl)c2)c(=O)c1CCO 67300257 VSLYUKYODSUCKW-UHFFFAOYSA-N 415.852 3.185 0 40 HGAB CC(=O)c1ccc(N2CCN(C(=O)c3cn(-c4cc(C)cc(C)c4)nn3)CC2)cc1 71765032 CUUROXHXPPDTJZ-UHFFFAOYSA-N 403.486 3.049 0 40 HGAB Cc1cc([C@@]2(C)NC(=O)N(CC(=O)Nc3ccc(C(F)(F)F)cc3)C2=O)c(C)o1 72066047 UJUCRMVNDQKOFU-GOSISDBHSA-N 409.364 3.321 0 40 HGAB COc1cc(/C=C/C(=O)OCC(=O)N[C@@H]2CCc3ccccc32)cc(OC)c1OC 72330839 XDBIXNNMEIUFMQ-VEGGFIAOSA-N 411.454 3.073 0 40 HGAB CC(C)C[C@@H](CNC(=O)OC(C)(C)C)C(=O)N(C)Cc1nc2ccccc2c(=O)[nH]1 79056650 GZVYUSOGODPENO-HNNXBMFYSA-N 416.522 3.069 0 40 HGAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1C(=O)Nc1nnc(C2CCCCC2)s1 79494886 RVAYWLYXRQVVGR-CQSZACIVSA-N 423.564 3.011 0 40 HGAB O=C(CN1CC(c2nc(-c3ccco3)no2)C1)Nc1ccc(Br)cc1 96024274 LKCVOUUQYQSMDV-UHFFFAOYSA-N 403.236 3.130 0 40 HGAB COc1ccc(CNC(=O)O[C@H]2COCCN(c3nc4ccccc4s3)C2)cc1 96269045 PXJYZNKFAOCIDG-QGZVFWFLSA-N 413.499 3.437 0 40 HGAB biogenic,in-vitro O=S(=O)(c1cccc(NCc2ccc(C(F)(F)F)cc2)c1)N1CCOCC1 97057772 KGUDABOHUYBAIF-UHFFFAOYSA-N 400.422 3.338 0 40 HGAB Cc1ccc(S(=O)(=O)Oc2cccc(N3C(=O)[C@H]4[C@H]5CC[C@@H](C5)[C@@H]4C3=O)c2)cc1 100566978 JNTCXBPGPSVBAU-SLUIBLPYSA-N 411.479 3.298 0 40 HGAB COc1ccc(N(CCCC(=O)NCc2ccc(Cl)cc2)S(C)(=O)=O)cc1 113962812 CXZKUNZBNLYZOS-UHFFFAOYSA-N 410.923 3.211 0 40 HGAB CCOc1ccc(NC(=O)CCCN(c2cccc(OC)c2)S(C)(=O)=O)cc1 113966583 NHMLOUALFIALPJ-UHFFFAOYSA-N 406.504 3.279 0 40 HGAB O=C(Nc1cnn(C[C@@H]2COc3ccccc3O2)c1)c1cc(=O)c2ccccc2o1 207999785 YQRYKBVIBMPEJV-OAHLLOKOSA-N 403.394 3.082 0 40 HGAB CCN(c1ccc(C(=O)Nc2ccccc2C(=O)NC(C)C)cc1)S(=O)(=O)CC 222395208 YPTLPJADGSIUKN-UHFFFAOYSA-N 417.531 3.253 0 40 HGAB COC(=O)CSc1nnc(NC(=O)c2ccc(CN3CCC[C@@H](C)C3)cc2)s1 222926897 QYVSQYKYUGOYIW-CYBMUJFWSA-N 420.560 3.287 0 40 HGAB O=C(O)c1cccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCO)o2)c1 223593292 NMGGAEQRYSCUNS-RTBURBONSA-N 409.467 3.005 0 40 HGAB COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccccn1 223711738 JTLPPRIZHQUELE-SFTDATJTSA-N 421.526 3.193 0 40 HGAB Cc1cc(C)cc(N(CC(=O)NCCOc2ccccc2C(C)C)S(C)(=O)=O)c1 223755965 VJAVBSCECFSZSQ-UHFFFAOYSA-N 418.559 3.388 0 40 HGAB Cc1ccc(C)c(N(CCCC(=O)NCCOc2ccccc2C)S(C)(=O)=O)c1 224150214 JHHDHDZDUYJXJA-UHFFFAOYSA-N 418.559 3.353 0 40 HGAB CCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(OC)cc1 224555264 DCMIOZQRDQZUAC-NRFANRHFSA-N 414.502 3.026 0 40 HGAB COc1ccccc1-c1cc(C(=O)N2CC(n3cc(-c4ccccc4)nn3)C2)[nH]n1 225663363 OZIUWJCZNKOBGJ-UHFFFAOYSA-N 400.442 3.041 0 40 HGAB O=C(CCc1nc(-c2ccc(I)cc2)no1)N1CCCCC1 225839447 CBVPORFPHLOIRZ-UHFFFAOYSA-N 411.243 3.286 0 40 HGAB CCOc1ccc(NC(=O)[C@@]2(C)CCCN(c3ccc(OC)cc3)S2(=O)=O)cc1 225951840 WPUYSCZXIZPRNS-OAQYLSRUSA-N 418.515 3.421 0 40 HGAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)NCc2cccc(C)c2)cc1Cl 226067413 XCMDFKXXYQUYSG-UHFFFAOYSA-N 424.950 3.374 0 40 HGAB COc1ccc(-c2nccc3ccn(CC(=O)N[C@H]4CC[C@H](O)CC4)c23)cc1OC 257334061 YEIQMHBUKXQBHO-IYARVYRRSA-N 409.486 3.140 0 40 HGAB COc1ccccc1Cc1cnc([C@H]2CCCN(C(=O)Cn3nc(C)cc3C)C2)o1 257334523 YGICVNZLMOHIAB-IBGZPJMESA-N 408.502 3.494 0 40 HGAB Cc1ccc(N2C[C@@H]3C[C@]3(C(=O)Nc3ccc(OC(C)C)cc3)S2(=O)=O)cc1 260828953 GIDMQAWFWGSZPV-KKSFZXQISA-N 400.500 3.329 0 40 HGAB CC(C)NC(=O)NC[C@H]1N(C(=O)c2cccc(Cl)c2)CCCC12CCN(C)CC2 306128259 GVMPQGUMMBJRBK-LJQANCHMSA-N 420.985 3.364 0 40 HGAB COC(=O)c1c(NC(=O)CSCc2ccc(OC)cc2)sc2c1CCN(C)C2 408574055 HVZYTUAGUCSOAU-UHFFFAOYSA-N 420.556 3.403 0 40 HGAB CC(C)CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)NCc2ccccc2Cl)cc1 408591075 IHKWIYKBDCBJPU-OAHLLOKOSA-N 424.950 3.358 0 40 HGAB CN1C(=O)c2cc(C(F)(F)F)ccc2O[C@H]2CN(Cc3ccncc3Cl)C[C@H]21 514288666 PZVZGSXKHIJAMP-WBVHZDCISA-N 411.811 3.471 0 40 HGAB biogenic,in-vitro CN1C(=O)c2ccc(-c3ccc(F)cc3F)cc2O[C@H]2CN(Cc3nccn3C)C[C@H]21 514290193 VATMPWZGCCXIGQ-CTNGQTDRSA-N 424.451 3.083 0 40 HGAB biogenic,in-vitro COc1ccc(C)cc1CC(=O)N1CCNC(=O)[C@H]1c1ccccc1C(F)(F)F 541007601 CARJTVRJDPRZQF-LJQANCHMSA-N 406.404 3.265 0 40 HGAB CN(Cc1cccnc1)C[C@@H]1CCC2(CN(C(=O)c3ccc4c(ccn4C)c3)C2)OC1 575402996 FLYJQPHVVCYKDK-FQEVSTJZSA-N 418.541 3.327 0 40 HGAB COc1ccc(F)cc1-c1ccc(C[C@]2(C(=O)NC3CCNCC3)CCCO2)cc1 643550507 IXYSZFLYASDVEN-DEOSSOPVSA-N 412.505 3.461 0 40 HGAB O=C(CCc1ccccc1)N[C@@H]1CCC12CCN(C(=O)c1cc(F)ncc1F)CC2 1614940403 JTKPRDJDWOFWPZ-LJQANCHMSA-N 413.468 3.494 0 40 HGAB Cc1nc(N2CC[C@H]3CN(c4cc(C(F)(F)F)ccn4)C[C@H]32)c2ccncc2n1 1889201589 OUIYUEKYNKRUMR-SUMWQHHRSA-N 400.408 3.462 0 40 HGAB COc1ccccc1CN1C[C@@H]2OCCCCc3ccccc3OCC(=O)N(C)[C@H]2C1 2037980855 KGJMJJGRSCUMCM-URXFXBBRSA-N 424.541 3.138 0 40 HGAB COc1cc2ncnc(N3CCC[C@@H](C(=O)N4CCC(F)(F)CC4)C3)c2cc1OC 2298221150 GTPOPUYCYDPFBY-CQSZACIVSA-N 420.460 3.121 0 40 HGAB O=C(Nc1ccc(Br)cn1)c1cccc(S(=O)(=O)NC2CCCC2)c1 59250912 OJCJRZHMUXJGGD-UHFFFAOYSA-N 424.320 3.317 0 40 HGAB O=C(Nc1ccc2nc(N3CCOCC3)sc2c1)c1coc2ccccc2c1=O 8267932 UBTPOTJNRAYYCQ-UHFFFAOYSA-N 407.451 3.492 0 40 HGAB O=C(c1cc2ccccc2oc1=O)N(Cc1ccc2c(c1)OCO2)C[C@H]1CCCO1 1330045 WOPDHZCMRQAWJK-QGZVFWFLSA-N 407.422 3.343 0 40 HGAB CCN1CCN(C(=O)[C@@H](C)Sc2nnc(-c3ccccc3F)n2C2CC2)CC1 21128443 JZAGLRSXIXVIIB-CQSZACIVSA-N 403.527 3.064 0 40 HGAB Cc1cccc(N(CC(=O)NC2CCCC2)C(=O)CCC(=O)Nc2ccccn2)c1 4848248 UFMOVPVCDLQBGL-UHFFFAOYSA-N 408.502 3.201 0 40 HGAB CCc1ccccc1N(CC(=O)NC1CCCCC1)C(=O)CNC(=O)c1ccco1 4875988 MHPKIATUBHSUPS-UHFFFAOYSA-N 411.502 3.054 0 40 HGAB COc1ccc(-c2noc([C@@H](C)NC(=O)c3cc(OC)c(OC)c(OC)c3)n2)cc1 4998234 SAQVRQXIQFVFGL-GFCCVEGCSA-N 413.430 3.262 0 40 HGAB COc1cccc(NC(=O)CSc2nnc(COc3ccccc3OC)n2C)c1 6479970 FEQWILUZQUTMQL-UHFFFAOYSA-N 414.487 3.142 0 40 HGAB COc1ccccc1[C@H]1CC(=O)c2cnc(N3CCN(c4ccccn4)CC3)nc2C1 10157303 HFXFVDSXESCLKJ-QGZVFWFLSA-N 415.497 3.120 0 40 HGAB COC(=O)c1c(C)oc2ccc(N(C(C)=O)S(=O)(=O)c3ccc(F)cc3)cc12 645644 SIECEMWBFFOOPV-UHFFFAOYSA-N 405.403 3.409 0 40 HGAB C[C@H]1CN2c3ccccc3C[C@@]3(C(=O)N(c4ccccc4)C(=O)N=C3O)[C@@H]2[C@H](C)O1 9089625 AAXHHKHQORLYBE-ZHBRXAKASA-N 405.454 3.335 0 40 HGAB COc1ccccc1CCNC(=O)CN1CCN(Cc2cccc3ccccc23)CC1 22790467 QECDPCMHROKSPF-UHFFFAOYSA-N 417.553 3.325 0 40 HGAB Cc1cc(F)ccc1S(=O)(=O)Nc1ccccc1C(=O)N1C[C@H](C)O[C@@H](C)C1 23078174 XWJPGLXJSJZMGO-GJZGRUSLSA-N 406.479 3.184 0 40 HGAB O=C(NCc1cc(Br)ccc1F)NC[C@@H]1CCN(CC(F)(F)F)C1 46926841 RJVYGQQJKYQMCZ-JTQLQIEISA-N 412.225 3.272 0 40 HGAB O=C(CCC(=O)c1ccc2c(c1)CCC2)NC[C@H](c1cccs1)N1CCOCC1 23436646 XKHLQFLQDDEWKP-HXUWFJFHSA-N 412.555 3.389 0 40 HGAB CC[C@H](NC(=O)Cn1c(S(C)(=O)=O)nc2ccccc21)c1ccc(Cl)cc1 27709200 AJLVYEYWQQZSEF-HNNXBMFYSA-N 405.907 3.361 0 40 HGAB CCN1CCC(NC(=O)NC[C@H]2CCN(c3ccc(Br)cc3)C2)CC1 57200908 IWVDXHPSKNZAGG-OAHLLOKOSA-N 409.372 3.059 0 40 HGAB O=C(CN1CCN(c2ccccc2)CC1)Nc1ccccc1C(=O)NC1CCCC1 57363699 FCFGMWZVQULUSY-UHFFFAOYSA-N 406.530 3.120 0 40 HGAB CS(=O)(=O)c1ccc(CNC(=O)Nc2cccc(-c3nc(C4CC4)no3)c2)cc1 58023322 PHPDZQJHDAMIKR-UHFFFAOYSA-N 412.471 3.339 0 40 HGAB COc1cc2c(cc1OC)CN([C@@H](C)C(=O)NC(=O)Nc1ccc(C)cc1C)CC2 12864940 KWLPFGTXJVXSAQ-INIZCTEOSA-N 411.502 3.416 0 40 HGAB COc1cc(OC)c(OC)cc1/C=C/C(=O)N1CCC(NC(=O)c2ccccc2)CC1 12864193 HZLSZKBTQNXPNX-MDZDMXLPSA-N 424.497 3.147 0 40 HGAB Cc1ccc(C(=O)N2CCC3(CC2)c2ccccc2N(CC2CC2)S3(=O)=O)nc1 306131905 KSKQAOHTNKBDML-UHFFFAOYSA-N 411.527 3.081 0 40 HGAB COc1ccc(/C=C/C(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)cc1 12998091 AXNSNANHJOSTJQ-RUDMXATFSA-N 408.454 3.314 0 40 HGAB CCOc1ccccc1N1C[C@@H](C(=O)Nc2ccc(N3CCCC3=O)cc2)CC1=O 12994205 RYLNADZNWHMITG-INIZCTEOSA-N 407.470 3.204 0 40 HGAB O=C(NCc1ccccc1)c1nc(Cn2c(C(F)(F)F)nc3ccccc32)no1 13640628 QRFJGJODMKUSEK-UHFFFAOYSA-N 401.348 3.416 0 40 HGAB O=C(O)[C@H]1CC12CCN(C(=O)C1(c3cccc(Br)c3)CCOCC1)CC2 69951959 NDTJTHPBBJRHRG-MRXNPFEDSA-N 422.319 3.211 0 40 HGAB Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NC(C)C)Oc3ccc(Cl)cc32)cc1 64986089 UEWOHNSSQRPPII-SFHVURJKSA-N 408.907 3.129 0 40 HGAB CCN(CC)C(=O)c1ccc(NC(=O)COc2cccc(N3CCCC3=O)c2)cc1 27223108 BYPJIKUNNKFBTN-UHFFFAOYSA-N 409.486 3.313 0 40 HGAB C[C@@H](OC(=O)C1(CC(=O)N2CCOCC2)CCCC1)C(=O)c1c[nH]c2ccccc12 14244887 LYIAKDTVLPTMET-MRXNPFEDSA-N 412.486 3.092 0 40 HGAB O=C(COC(=O)CSC(=O)c1ccccc1)Nc1nnc(-c2ccccc2)s1 4690575 VECAGNZXMVIYAV-UHFFFAOYSA-N 413.480 3.260 0 40 HGAB COc1ccc(NC(C)=O)cc1NC(=O)CCn1c(=O)oc2ccc(Cl)cc21 6758972 PSHLYAHJARBQTK-UHFFFAOYSA-N 403.822 3.244 0 40 HGAB COc1ccccc1CN(C)C(=O)CN1C(=O)N[C@@](C)(c2ccc(C(C)C)cc2)C1=O 5798133 WLQSVLDWDXNZCF-DEOSSOPVSA-N 423.513 3.244 0 40 HGAB COc1cc(OC)cc(C(=O)N(C)Cc2nc(-c3ccc(OC)c(OC)c3)no2)c1 4943543 PXRLKSOZGOAXGE-UHFFFAOYSA-N 413.430 3.043 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N[C@@H](C)CCc2ccccc2)cc1 408600670 BVXVAPPCTAHJJS-SFHVURJKSA-N 418.559 3.233 0 40 HGAB COc1cc2c(cc1OC)CN(C(=O)CSc1nnc(-c3ccco3)o1)CC2 7005925 AGAWJGQKEUBSGT-UHFFFAOYSA-N 401.444 3.024 0 40 HGAB Nc1nc(N)nc(CSc2nnc(-c3ccccc3Cl)n2C2CCCC2)n1 7088813 QLEPUSOQXXHXHV-UHFFFAOYSA-N 402.915 3.355 0 40 HGAB Cc1cc(C)c(NC(=O)CN(C)C(=O)CCC(=O)c2ccc3c(c2)OCCO3)c(C)c1 15622181 SIKAURGEYSNPLB-UHFFFAOYSA-N 424.497 3.443 0 40 HGAB O=C1CCCN1C(=O)COC(=O)C1(Cc2nc3ccccc3s2)CCCCC1 8000896 GPKNXMFBZUSRGZ-UHFFFAOYSA-N 400.500 3.482 0 40 HGAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccc(F)c(F)c2)cc1Cl 20016274 YIYOLRANUUHXAV-SNVBAGLBSA-N 418.849 3.322 0 40 HGAB CC(C)n1nccc1NC(=O)[C@H](C)N(C)CC(=O)Nc1ccccc1C(F)(F)F 16634740 YITHXHXDOHOYEN-ZDUSSCGKSA-N 411.428 3.380 0 40 HGAB COc1ccccc1CNC(=O)Cn1ccn2nc(-c3ccc(Cl)cc3)cc2c1=O 9327600 VKFYCCAHEFYWGC-UHFFFAOYSA-N 422.872 3.141 0 40 HGAB O=S(=O)(c1cccnc1)N1CCC2(CC1)C[C@H]2c1nnc(-c2cccc(F)c2)o1 71890640 GEIWLWCNLHDTGZ-KRWDZBQOSA-N 414.462 3.229 0 40 HGAB O=C(Nc1nncs1)[C@@H]1c2ccccc2C(=O)N(C[C@@H]2CCCO2)C12CCCC2 72400395 YOQPFTGIHXJWIK-YOEHRIQHSA-N 412.515 3.208 0 40 HGAB C[C@@H](OCC1CC1)C(=O)OCCc1ccccc1COC(=O)[C@@H](C)OCC1CC1 95456172 CODKCRGWDCPSNO-IAGOWNOFSA-N 404.503 3.446 0 40 HGAB Cc1nc(CN(C)CC(=O)N2N=C(c3cccs3)C[C@H]2c2cccs2)n[nH]1 79051929 GRPUSWCTPUYLEM-AWEZNQCLSA-N 400.533 3.046 0 40 HGAB C[C@@H](O)C[C@@H](CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)c1ccccc1 79105758 CZYUJOCTJSEQQN-HIFRSBDPSA-N 403.422 3.418 0 40 HGAB CSCc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 89493762 SOEZPAJQANNLMT-UHFFFAOYSA-N 424.975 3.350 0 40 HGAB COc1cccc(CN2CCC[C@]3(CN(Cc4cc(C)n[nH]4)CC(F)(F)C3)C2=O)c1 306140005 UGRFAZIKYVYWJC-NRFANRHFSA-N 418.488 3.377 0 40 HGAB Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)NCCCN(C)C)c2)cc1 30858129 NGBADNJEWPUZSW-UHFFFAOYSA-N 409.939 3.131 0 40 HGAB CC(C)CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 408595696 RBYKZCYGZCJQBT-QGZVFWFLSA-N 416.543 3.368 0 40 HGAB Cc1ccccc1NC(=O)CN(Cc1ccc(Br)cc1)S(C)(=O)=O 408613517 UZCUZUAYPIFGPU-UHFFFAOYSA-N 411.321 3.158 0 40 HGAB CCCn1ncc2c(C(=O)N3CCN(C(=O)c4cccs4)CC3)cc(C3CC3)nc21 36616830 WZHHNBMGXQSILL-UHFFFAOYSA-N 423.542 3.378 0 40 HGAB CC(C)c1ccccc1OCCNS(=O)(=O)c1ccc(N2CCCC2=O)cc1 78923649 LGNLKNGOEOAJJL-UHFFFAOYSA-N 402.516 3.294 0 40 HGAB COCCNc1ncccc1-c1noc([C@@H]2CCCN2Cc2ccc(C(=O)O)cc2)n1 35424854 QECAVBRUTQORCY-SFHVURJKSA-N 423.473 3.225 0 40 HGAB biogenic,in-vitro Cc1ccc(N(CC(=O)Nc2ccc(N3CCCC3)cc2)S(C)(=O)=O)cc1C 224903951 KVUHWMWDXBRKGH-UHFFFAOYSA-N 401.532 3.308 0 40 HGAB COc1cc(C)c(S(=O)(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1C 223716882 VSZFJCQGDLGXEW-JXMROGBWSA-N 400.544 3.332 0 40 HGAB O=C(Cn1c2ccccc2n2c(=O)cc(-c3ccncc3)nc12)Nc1ccc(F)cc1 40484880 IHPWRKFOZLVTOY-UHFFFAOYSA-N 413.412 3.489 0 40 HGAB Cc1cccc(CCCNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)c1 225533763 BEKZCTVKLCADHU-IBGZPJMESA-N 418.534 3.284 0 40 HGAB C[C@@H]1C[C@H]1c1ccc(/C=C/C(=O)NCCCN2CCN(C(=O)OC(C)(C)C)CC2)o1 40119358 BRNMUYUTPMOACZ-ZNQKSWCZSA-N 417.550 3.475 0 40 HGAB CCOC(=O)CN(c1ccccc1CC)S(=O)(=O)c1ccc(OC)c(OC)c1 224794771 IWCWDYIJNWFECJ-UHFFFAOYSA-N 407.488 3.025 0 40 HGAB O=C(Cc1ccccc1Br)NC1CCN(c2cc(C3CC3)[nH]n2)CC1 225753962 JCRQUCCFAXBUIE-UHFFFAOYSA-N 403.324 3.377 0 40 HGAB O=C(CSCc1cc(=O)n2ccsc2n1)N(Cc1ccccc1F)C1CC1 40051452 ZSVVOGLCCJHZQZ-UHFFFAOYSA-N 403.504 3.320 0 40 HGAB Cc1ccc(C(=O)NC[C@@H]2CCCO2)cc1N(C)S(=O)(=O)c1ccc(Cl)cc1 224316920 JCHQYKJIRVOMPL-KRWDZBQOSA-N 422.934 3.382 0 40 HGAB CCc1ccc(N([C@@H](C)C(=O)Nc2cccc(C(=O)OC)c2C)S(C)(=O)=O)cc1 220275829 TUHHOMMQLZZYDV-HNNXBMFYSA-N 418.515 3.137 0 40 HGAB CCN(c1ccc(C(=O)Nc2ccc3c(c2)sc(=O)n3CC)cc1)S(C)(=O)=O 225100551 IBWOMSLRDYUQPE-UHFFFAOYSA-N 419.528 3.121 0 40 HGAB COc1ccc(S(=O)(=O)N(C)Cc2nc(-c3ccccc3Cl)no2)cc1OC 223764052 CCGJGDIRXKZUQN-UHFFFAOYSA-N 423.878 3.228 0 40 HGAB C[C@H](CCc1ccccc1)NC(=O)C[C@@H](NS(C)(=O)=O)c1ccc(Cl)cc1 225952817 OWRUNBBUXROQDO-DNVCBOLYSA-N 408.951 3.458 0 40 HGAB CCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)COc1ccc(OC)cc1 222887145 WOFMLZLQTXIVSD-HNNXBMFYSA-N 404.894 3.281 0 40 HGAB Cc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccccc3)[C@]2(CN)NC(=O)OC(C)(C)C)cc1 252516540 TZNSCRNWRYDTDD-WOIUINJBSA-N 416.543 3.157 0 40 HGAB C[C@]1(O)CN(CC(=O)Nc2ccccc2OC(F)F)CC[C@@H]1Oc1cccc(F)c1 257296334 RCIGSHGWBFXGQF-RXVVDRJESA-N 424.419 3.270 0 40 HGAB O=C(O)c1nn(-c2ccccc2C(F)(F)F)nc1N1CCN(c2ccccc2)CC1 256048838 WNTVAPGLDMDQMT-UHFFFAOYSA-N 417.391 3.311 0 40 HGAB COc1ccc(NC(=O)COC(=O)[C@@H](C)Oc2ccc(Br)cc2)cc1 5626957 YXESYOHOZDLONT-GFCCVEGCSA-N 408.248 3.407 0 40 HGAB O=C(CN(C(=O)c1csnn1)c1cccc(Cl)c1)NCCc1ccccc1 15935864 PDZSJGQXJFOOKE-UHFFFAOYSA-N 400.891 3.197 0 40 HGAB Cc1ccc2cc(CN(CCN3CCOCC3)C(=O)Nc3ccccc3)c(=O)[nH]c2c1 19222133 UTZYPNHZSFWLBL-UHFFFAOYSA-N 420.513 3.203 0 40 HGAB COc1ccc([C@H]2c3nc[nH]c3CCN2C(=O)c2cc(C)nc3c2c(C)nn3C)cc1 19662750 KZKQKXSNOJQDFE-NRFANRHFSA-N 416.485 3.105 0 40 HGAB Cc1c(CN2Cc3cn(C)nc3[C@H](C(=O)NCc3ccccn3)C2)oc2ccccc12 19701376 DQNFLLJACCVLTJ-HXUWFJFHSA-N 415.497 3.286 0 40 HGAB O=C(c1ccncn1)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 643573871 ODIYLBJJRBBOMN-UHFFFAOYSA-N 409.486 3.048 0 40 HGAB COCCOc1cccc(CN2CCC[C@@H](c3nc(-c4ccncc4)cc(=O)[nH]3)C2)c1 19593791 ZBMYXFGUPODJFL-HXUWFJFHSA-N 420.513 3.237 0 40 HGAB CCN(CC)CCCNC(=O)[C@@H]1C[C@H]2CC[C@@]1(C)C[C@]21NC(=O)c2ccccc2O1 253596722 VIWJNFNGKJEOIV-DDDCRWRYSA-N 413.562 3.180 0 40 HGAB CC(C)N(CCNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12)C(C)C 7800521 GSVHBYKTVDOSEM-UHFFFAOYSA-N 406.530 3.293 0 40 HGAB Cc1ccc(Cl)cc1N1CCN(C(=O)c2cc(C3CCOCC3)ncn2)CC1 1888860179 QPZLNHUNSAVUBI-UHFFFAOYSA-N 400.910 3.295 0 40 HGAB CCOC(=O)CCCNc1cnn(CCOc2ccc(Cl)cc2)c(=O)c1Cl 32837491 OAXFTQJYOMVWFX-UHFFFAOYSA-N 414.289 3.384 0 40 HGAB CCCn1cc(C(=O)NCc2cccc(OC)c2)c2nn(-c3ccccc3)c(=O)c-2c1 9661548 OCWXJJQSDABAEE-UHFFFAOYSA-N 416.481 3.487 0 40 HGAB O=C(CCc1csc(NS(=O)(=O)c2ccccc2)n1)NCc1ccc(F)cc1 16848330 RUAJSCVATPWFCH-UHFFFAOYSA-N 419.503 3.332 0 40 HGAB O=C(CCn1cnc2ccccc2c1=O)Nc1ccc(-c2cn3c(n2)SCC3)cc1 38735875 PVHLUZWEUJLJQL-UHFFFAOYSA-N 417.494 3.395 0 40 HGAB Cc1cccc(C(=O)NC2CCN(C(=O)c3cn(-c4ccc(C)c(C)c4)nn3)CC2)c1 49406359 FOHUVNUGXWANEW-UHFFFAOYSA-N 417.513 3.227 0 40 HGAB COc1ccccc1N1CCN(c2nc(Nc3ccccc3)c3nccnc3n2)CC1 9075162 LDNRFYMJTAVASA-UHFFFAOYSA-N 413.485 3.499 0 40 HGAB COc1cc2c(c(OC)c1)[C@H](c1cc(OC)c(OC)c(OC)c1)C1=C(COC1=O)N2 20086299 DAPZDGNZIMLFNA-SFHVURJKSA-N 413.426 3.098 0 40 HGAB O=S(=O)(c1cccc(Br)c1)N1CCCN(Cc2cccs2)CC1 30383383 AFMDCASOHMEUJF-UHFFFAOYSA-N 415.378 3.407 0 40 HGAB CC(C)N(C)S(=O)(=O)NCc1ccccc1-c1ccc(CN2CCCC2=O)cc1 40118789 GIKHSJUNNKZHGV-UHFFFAOYSA-N 415.559 3.151 0 40 HGAB C/C(O)=C1/C(=O)N(c2ccccc2)C(=O)[C@@]1(NC(=O)c1ccc(F)cc1)C(F)(F)F 100229928 FMMGYDGUDFQQAQ-FERCGXDMSA-N 422.334 3.262 0 40 HGAB COc1ccc(CCN(C)C(=O)C2CCN(c3ccc(Cl)nn3)CC2)cc1OC 30808671 KVPZAOFSVHHNIM-UHFFFAOYSA-N 418.925 3.065 0 40 HGAB Cc1ccc(S(=O)(=O)N(C[C@@H](O)CN2CCC(C)CC2)c2ccccc2)cc1 787237 FNPYSIAZYBSEDW-NRFANRHFSA-N 402.560 3.283 0 40 HGAB Cc1ccc(-n2nnnc2SCC(=O)NCCc2ccc(Cl)cc2)c(C)c1 3435822 FNIAHUICVSFPOG-UHFFFAOYSA-N 401.923 3.384 0 40 HGAB O=C(Nc1c2c(nn1-c1ccccc1)C[S@](=O)C2)c1ccc(Br)o1 4224641 NAYNJUCRLPNSDM-DEOSSOPVSA-N 406.261 3.242 0 40 HGAB CCOc1ccc(-n2nnc3c(=O)n(Cc4ccc(C(F)(F)F)cc4)cnc32)cc1 4267033 RDFVGQMLOGRCMM-UHFFFAOYSA-N 415.375 3.443 0 40 HGAB COc1cc([C@H]2c3cc4c(cc3O[C@@]3(O)CCC[C@H]23)OCO4)cc(OC)c1OC 4592762 CWOWDHSRSSJSHJ-XDCJIHQESA-N 400.427 3.454 0 40 HGAB CCN(CC)C(=O)CSc1nc2ccccc2n1CC(=O)N1CCC(C)CC1 4859184 UANRLXROAHUCNU-UHFFFAOYSA-N 402.564 3.255 0 40 HGAB COC[C@@H](C)n1c(C)cc(C(=O)COC(=O)Cc2ccc(OC)c(OC)c2)c1C 5665976 DAEOMSSCPKENGM-OAHLLOKOSA-N 403.475 3.298 0 40 HGAB CC(=O)c1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3cccc(C)c3C)C2)cc1 5934723 ZWSAMZWNVVQJTP-SFHVURJKSA-N 408.454 3.041 0 40 HGAB C[C@H](Oc1ccc(NC(=O)c2ccco2)cc1)C(=O)NCc1ccc2c(c1)OCO2 5959927 WUKDFNWEBVNHDG-AWEZNQCLSA-N 408.410 3.344 0 40 HGAB COc1cccc(CC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2C)c1 6789555 PLVGXOHYYOOTNO-UHFFFAOYSA-N 402.516 3.359 0 40 HGAB Cc1cc(C)c(OCC(=O)N(Cc2ccccc2F)[C@@H]2CCS(=O)(=O)C2)c(C)c1 6811056 FQYZHWSXZWFNKX-LJQANCHMSA-N 419.518 3.346 0 40 HGAB COc1ccc(Cl)cc1N1C[C@@H](C(=O)OCC(=O)Nc2cccc(C)c2)CC1=O 7537115 QDXWKQGXDFOWGM-AWEZNQCLSA-N 416.861 3.192 0 40 HGAB CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)/C=C/c1ccc2c(c1)OCCCO2 8231388 GCJPTANLKHYRSZ-PKNBQFBNSA-N 405.454 3.146 0 40 HGAB CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)[C@H](C)Sc2ccccc2)cc1 8750990 COKLVYGPQDOQRD-INIZCTEOSA-N 406.573 3.311 0 40 HGAB C[C@@H](Sc1nc2ccccc2n1C)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F 8808366 FSEINBSQPMSWKH-SNVBAGLBSA-N 422.432 3.226 0 40 HGAB O=C1CCc2cc(NS(=O)(=O)c3ccc(Br)cc3)cc3c2N1CCC3 9708649 LGFLILFYBNRGJG-UHFFFAOYSA-N 421.316 3.475 0 40 HGAB COc1cccc(NC(=O)CSC2=NS(=O)(=O)c3cc(Cl)ccc3N2)c1 9761982 OSACDEPKSSOTNS-UHFFFAOYSA-N 411.892 3.191 0 40 HGAB CC(C)[C@@H](NC(=O)COc1ccccc1)C(=O)N1CCc2[nH]c3ccccc3c2C1 9902243 AHIZXOHROINXNB-HSZRJFAPSA-N 405.498 3.272 0 40 HGAB Cc1cc(C)cc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(Br)cc2)c1 10127214 NXRCKUGHIAOYOD-CYBMUJFWSA-N 411.321 3.371 0 40 HGAB COc1cccc(-c2nnc(O)c3c2[C@@H](c2ccc(Cl)cc2)n2nnnc2N3)c1 10296807 LFDQYCTTXPBVEA-QGZVFWFLSA-N 407.821 3.192 0 40 HGAB O=C(O)c1cccc(S(=O)(=O)N2CCC3(CC2)Nc2ccccc2-n2cccc23)c1 12113183 BVHPWLXEXAKRPE-UHFFFAOYSA-N 423.494 3.281 0 40 HGAB CC(C)c1nn(CC(=O)NCCc2ccccc2)c(=O)c2c1cnn2-c1ccccc1 12228910 KETKAGICWFVGON-UHFFFAOYSA-N 415.497 3.065 0 40 HGAB COC(=O)Cn1cc(CN2CCC(O)(c3ccccc3OC)CC2)c2ccccc21 12292772 COMGQHQPWZVNEE-UHFFFAOYSA-N 408.498 3.307 0 40 HGAB COC(=O)C1=C(C)N(C2CCCC2)C(=O)[C@@]1(NC(=O)C1CCCCC1)C(F)(F)F 12402653 RULMPIUGBZYMQE-LJQANCHMSA-N 416.440 3.216 0 40 HGAB C[C@@H](C(=O)NCc1ccc2c(c1)OCO2)N(C)CC(=O)Nc1cccc2ccccc12 12698580 KOOBMYBGIJNCIR-INIZCTEOSA-N 419.481 3.144 0 40 HGAB COc1ccc(CCC(=O)Nc2cc(C(C)(C)C)nn2[C@@H]2CCS(=O)(=O)C2)cc1 12890924 XDMMNZHCVVNFNV-MRXNPFEDSA-N 419.547 3.120 0 40 HGAB C[C@@H](NC(=O)CNC(=O)c1ccc(C(F)(F)F)cc1)c1ccc2c(c1)OCCO2 13016364 MNCBYMMZYIDRCX-GFCCVEGCSA-N 408.376 3.084 0 40 HGAB O=C1CCc2cc(-c3csc(NC(=O)[C@H]4Cc5ccccc5C(=O)O4)n3)ccc2N1 13108273 MDCSBQDVFZRDQC-GOSISDBHSA-N 419.462 3.415 0 40 HGAB Cc1cc(-c2snnc2[C@@H]2CCCN(C(=O)[C@@H](C)Cn3ccc(C)n3)C2)on1 13227733 LGEOHXWOCSOJPJ-SWLSCSKDSA-N 400.508 3.049 0 40 HGAB Cc1ccc(C)c([C@@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)c1 14573723 ZJLQMIQNTGEXIW-GOSISDBHSA-N 416.543 3.124 0 40 HGAB COc1ccc(CN(C(=O)COC(=O)c2cnc3c(cnn3C(C)C)c2)C2CC2)cc1 14897618 PRAWGSIAGYNCNP-UHFFFAOYSA-N 422.485 3.369 0 40 HGAB CCCS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)c3ccccc3F)cc21 15781367 PLGGYCCUQMZGLQ-UHFFFAOYSA-N 412.508 3.119 0 40 HGAB C[C@@H](C(=O)NCC(F)(F)F)N(c1ccccc1)S(=O)(=O)c1ccc(F)cc1 16698938 DOPZZPQNSRSZQX-LBPRGKRZSA-N 404.385 3.088 0 40 HGAB Cc1ccc(CN2C(=O)NC3(CCN(C(=O)CCc4ccccc4)CC3)C2=O)cc1 17041261 WFMWYPPHSFYZBU-UHFFFAOYSA-N 405.498 3.041 0 40 HGAB CC1(C)CC2(CCO1)N1CC3(c4ccccc4)CN2CC(c2ccccc2)(C1)C3O 19331556 HWFRSDMYEVVOHZ-UHFFFAOYSA-N 404.554 3.153 0 40 HGAB biogenic CC1(C)[C@H]2CC[C@]1(C)C(=O)N(CC(=O)N1CCC[C@@H](c3nc4ccccc4[nH]3)C1)C2=O 19460807 BZLHRZIFBYPGIO-JRLRZGBRSA-N 422.529 3.080 0 40 HGAB COc1ccc(N2C[C@H](NC(=O)c3cc(-n4cccn4)ccc3Cl)CC2=O)cc1 19715126 MXGHVOGSDKAXPX-CQSZACIVSA-N 410.861 3.070 0 40 HGAB COc1ccc(NC(=O)c2cnc([C@@H]3CCN(Cc4cccnc4)C3)nc2C)cc1 19759158 DJZIYKYZVHFVCX-GOSISDBHSA-N 403.486 3.430 0 40 HGAB O=C(NCc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cccc(C(F)(F)F)c1 20768451 COWXCWSCQMALNO-UHFFFAOYSA-N 412.433 3.420 0 40 HGAB CCN(c1cc(OC)c(OC)cc1C(=O)Nc1c(F)cccc1F)S(C)(=O)=O 22251988 NXZGIAOCXPODFO-UHFFFAOYSA-N 414.430 3.020 0 40 HGAB COc1ccc([C@@H](CC(=O)Nc2nc(CN3CCCCC3)cs2)NC(C)=O)cc1 22290819 QBMRAQKFFVCGCB-LJQANCHMSA-N 416.547 3.344 0 40 HGAB Cc1ccc2nc(N(CCN3CCOCC3)C(=O)COc3ccccc3)sc2c1 22998407 DDSROADZDFEBIU-UHFFFAOYSA-N 411.527 3.349 0 40 HGAB CCOc1ccc(-c2nnc(CN3C(=O)N[C@](C)(c4ccc(C)cc4)C3=O)o2)cc1 23882733 MNBUUDNLOTXPPE-JOCHJYFZSA-N 406.442 3.411 0 40 HGAB O=S(=O)(c1cc(F)ccc1F)N1CCN(Cc2nc3ccccc3s2)CC1 24854203 HGWZLBJEROGAEG-UHFFFAOYSA-N 409.483 3.081 0 40 HGAB C[C@H](NC(=O)CN(Cc1ccccc1)c1ccccc1)c1ccc(S(N)(=O)=O)cc1 24988532 MXSDVVUFGSDPLJ-SFHVURJKSA-N 423.538 3.218 0 40 HGAB COc1cccc(OC[C@H](O)CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 25196658 QWZLNSVSMLGPBA-GOSISDBHSA-N 410.436 3.276 0 40 HGAB CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NC[C@H](c1ccco1)N1CCCCC1 27498446 PJWWVYFGFMHCKH-FGZHOGPDSA-N 422.529 3.152 0 40 HGAB CCNS(=O)(=O)c1ccc(NC(=O)c2c[nH]c(=S)n2-c2ccc(F)cc2)cc1 30225123 ITNXYZDRXRKFMA-UHFFFAOYSA-N 420.491 3.224 0 40 HGAB Cc1c(NC(=O)COCc2nc3ccccc3s2)c(=O)n(-c2ccccc2)n1C 32740534 VXTYEBHRVJHWQH-UHFFFAOYSA-N 408.483 3.249 0 40 HGAB CN(CC(=O)NC(C)(C)C)C(=O)c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1 32893052 VPXVLSHFBUHZDN-UHFFFAOYSA-N 415.494 3.122 0 40 HGAB C[C@@H](NS(=O)(=O)c1c(Cl)cccc1Cl)C(=O)Nc1nnc(C2CC2)s1 32969082 RBJAANNQXIXVNX-SSDOTTSWSA-N 421.331 3.028 0 40 HGAB O=C(CCN1C(=O)S/C(=C/c2ccccc2)C1=O)Nc1ccc(O)cc1C(=O)O 33585411 YPVYJHQJKBZMHQ-MHWRWJLKSA-N 412.423 3.156 0 40 HGAB COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cc2cc(Cl)ccc2[nH]1 36393324 LKUFWMCBVBIMJN-UHFFFAOYSA-N 410.861 3.347 0 40 HGAB CS(=O)(=O)N1CC[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)Oc2ccccc21 38834743 RZWRZIFUTHQYJN-MRXNPFEDSA-N 414.405 3.261 0 40 HGAB CN1CCN(Cc2ccccc2CNC(=O)c2cc(Br)ccc2F)CC1 40089782 KAORVXYWGABRTN-UHFFFAOYSA-N 420.326 3.266 0 40 HGAB CC(C)(C)C(=O)N1CCC[C@@H]1C(=O)NCCCNc1ccc(C(F)(F)F)cn1 40151832 XXMVFLOVSMNINB-CQSZACIVSA-N 400.445 3.056 0 40 HGAB CC(C)(C)n1nc(C2CC2)cc1C(=O)NC[C@H](c1ccc(F)cc1)N1CCOCC1 48094771 UQODZSFTKFRFKS-OAQYLSRUSA-N 414.525 3.458 0 40 HGAB CN(Cc1ccc(Br)s1)C(=O)CCn1ncc(=O)c2ccccc21 52938326 MGXFLJQGTJREQO-UHFFFAOYSA-N 406.305 3.269 0 40 HGAB CCN(Cc1ccccc1)C(=O)Cn1c(=O)n(-c2ccccc2)c(=O)c2sccc21 57428767 TZGMHPDJKBLQAW-UHFFFAOYSA-N 419.506 3.263 0 40 HGAB CC[C@@H]1CCCCN1C(=O)Cn1c(=O)n(-c2cccc(C)c2)c(=O)c2sccc21 57490008 UWVXKMKJDYAUAY-MRXNPFEDSA-N 411.527 3.313 0 40 HGAB Cc1ccc(Cl)cc1Nc1nc(N)nc(CN2CCN(c3ccccc3)CC2)n1 59605569 BJKFVDGFISDSPN-UHFFFAOYSA-N 409.925 3.481 0 40 HGAB Cc1cccc(Nc2nc(C(=O)Nc3nc(C)c(C(=O)N(C)C)s3)cs2)n1 62022568 YCGHOUHNAPNHHH-UHFFFAOYSA-N 402.505 3.309 0 40 HGAB COc1cc(OC)cc(-c2nnc(Cc3nc(-c4ccc5c(c4)OCO5)no3)o2)c1 65185526 KNJGZXQDJXGJQO-UHFFFAOYSA-N 408.370 3.123 0 40 HGAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c2c1[C@@H](c1cccc(OC(F)F)c1)CC(O)=N2 71280299 SZCAGBNIKIEPSJ-TZMCWYRMSA-N 411.430 3.276 0 40 HGAB O=C(NCc1ccco1)[C@@H]1CCCN1C(=O)c1cc(Cl)c2c(c1)OCCCO2 71872778 FHEHSGVSDBTMJC-INIZCTEOSA-N 404.850 3.015 0 40 HGAB COCCn1cc(C(=O)NCCc2c[nH]c3ccc(OC)cc23)c2ccccc2c1=O 72324917 UIRMFHUSTFTIAY-UHFFFAOYSA-N 419.481 3.110 0 40 HGAB biogenic CCn1ncc(Cl)c1C(=O)N[C@@H]1C[C@@]2(CCC(=O)N(C)CC2)Oc2ccccc21 72327819 GVUCXNMEXFJTBP-IERDGZPVSA-N 416.909 3.191 0 40 HGAB Cc1cc(Nc2nc(C)cc(C)n2)cc([C@H]2CCCN2C(=O)c2ccc(=O)n(C)c2)n1 72372619 GTNGBQWWSVPQKZ-HXUWFJFHSA-N 418.501 3.216 0 40 HGAB CC(=O)NCc1ccc(C(=O)N[C@H]2CCCC[C@@H]2CNC(=O)OC(C)(C)C)s1 78877528 PRDUFIOQCZGXDB-ZBFHGGJFSA-N 409.552 3.198 0 40 HGAB CCOC(=O)[C@@H](NC(=O)CCc1nnc(-c2ccsc2)o1)C1(OCC)CCCC1 79110662 RHWIOBOZJKIOSQ-QGZVFWFLSA-N 421.519 3.128 0 40 HGAB COc1cc(OC)c(/C=c2\sc3nc4ccccc4n3c2=O)cc1Br 96584989 GTSBHZMXKCAOKX-PXNMLYILSA-N 417.284 3.237 0 40 HGAB Cc1ccc([S@](=O)(=S)OCCCO[S@](=O)(=S)c2ccc(C)cc2)cc1 100254240 HESVPJIYROEOHV-PLQXJYEYSA-N 416.611 3.467 0 40 HGAB O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)OCC(=O)c1ccc(-c2ccccc2)cc1 102430758 XOWVMOGVEIOWPN-WOJBJXKFSA-N 405.450 3.255 0 40 HGAB C[C@](O)(CNC(=O)CCc1ccccc1Br)c1ccc2c(c1)OCO2 206704214 AQEXGBPVGVIWRU-IBGZPJMESA-N 406.276 3.134 0 40 HGAB CCc1ccc(N([C@@H](C)C(=O)Nc2ccc(OC)c(OC)c2)S(C)(=O)=O)cc1 220264876 VGEWUADBIWXQTB-AWEZNQCLSA-N 406.504 3.059 0 40 HGAB COc1ccc(CNC(=O)[C@@H](C)N(c2ccc(C)c(Cl)c2)S(C)(=O)=O)cc1 220358026 ZNIIOGZHIVCWQM-CQSZACIVSA-N 410.923 3.128 0 40 HGAB CCOC(=O)c1ccc(C)c(NC(=O)c2cccc(N(C)S(C)(=O)=O)c2C)c1 222439070 DZBFGLIHDWGCDH-UHFFFAOYSA-N 404.488 3.128 0 40 HGAB CC[C@H](C)NS(=O)(=O)c1ccc(OCC(=O)N2c3ccccc3C[C@@H]2C)cc1 222658770 KUOFLCPACICYRV-HOTGVXAUSA-N 402.516 3.120 0 40 HGAB S=C(NCc1ccccc1)Nc1ncc(Br)nc1Br 223922648 PMDGUOUCIDTRCI-UHFFFAOYSA-N 402.115 3.488 0 40 HGAB CS(=O)(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccco2)cc1 225384603 FILZJBHJMQWLLW-ROUUACIJSA-N 414.512 3.223 0 40 HGAB CCCn1c(=O)sc2cc(S(=O)(=O)Nc3ccccc3C(=O)OCC)ccc21 225722280 KISIHHNZVWSNKK-UHFFFAOYSA-N 420.512 3.451 0 40 HGAB COCCCNC(=S)Nc1nc(N2C[C@@H](C)C[C@H](C)C2)cc(C(F)(F)F)n1 225902371 NAHKSKYHOVHSFV-RYUDHWBXSA-N 405.490 3.301 0 40 HGAB CN(c1ccccc1)S(=O)(=O)C1(C(=O)Nc2ccc(OC3CSC3)cc2)CC1 225940037 IEZYSEPWDYBMBE-UHFFFAOYSA-N 418.540 3.118 0 40 HGAB CO[C@@H]1CN(CC(=O)Nc2ncc(Cc3ccccc3F)s2)CC[C@@]12CCCO2 257202172 AKTIOZUGYUPCOF-NQIIRXRSSA-N 419.522 3.081 0 40 HGAB CNC(=O)[C@@]1(c2ccccn2)CCCN1Cc1cccc(OCc2ccccn2)c1 257221093 DNKYLFSXUXPPMZ-DEOSSOPVSA-N 402.498 3.293 0 40 HGAB Cc1nc([C@@H]2CCCN(C(=O)c3cccc(F)c3)C2)nc(C)c1CC(=O)N1CCCC1 257225905 FIHSYKROWXZEFR-LJQANCHMSA-N 424.520 3.417 0 40 HGAB CC1(C)Oc2c(O)cccc2[C@@H]2O[C@@H]3CCN(C(=O)CCCc4cn[nH]c4)[C@H]3C[C@H]21 257228388 FTPWOSKURIMAJM-FKPGQJDZSA-N 411.502 3.356 0 40 HGAB Cc1cc(F)ccc1-c1cnc(N(C)C)nc1[C@@H]1CCCN(C(=O)Cn2cccn2)C1 257279161 OFGOLQCSOBRCGH-QGZVFWFLSA-N 422.508 3.260 0 40 HGAB Cn1ccc(C(=O)N2CC[C@@]3(C)[C@@H]2CCC(=O)N3Cc2ccc(C(F)(F)F)cc2)n1 257320426 VWTMXALBEMVNNY-PXNSSMCTSA-N 420.435 3.235 0 40 HGAB Cc1ccc(S(=O)(=O)N2CC(F)(F)C[C@]3(CCCNC3=O)C2)c2ccccc12 306128939 HORIMOFJQBFMMW-LJQANCHMSA-N 408.470 3.074 0 40 HGAB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NC1CC1)c1cc(C)cc(C)c1 409391301 MQXSNRWOQFJYGH-UHFFFAOYSA-N 402.516 3.094 0 40 HGAB CC[C@@H]1CO[C@@H](C)CN1C(=O)CC1(CC(=O)N2C[C@@H](C)OC[C@H]2CC)CCCC1 517189121 HKLQSKJOOWEXFM-IYWMVGAKSA-N 408.583 3.379 0 40 HGAB CCC(=O)N1CCO[C@@](COc2ccc(Cl)c(C)c2)(CC(=O)N2CCCCC2)C1 585284770 IPCHDBHCIASPAH-QFIPXVFZSA-N 422.953 3.437 0 40 HGAB COc1cc2ncnc(N3CCC[C@H](C(=O)N4CCC(F)(F)CC4)C3)c2cc1OC 2298221149 GTPOPUYCYDPFBY-AWEZNQCLSA-N 420.460 3.121 0 40 HGAB COc1ccc([C@@H](CC(N)=O)N2C(=O)c3ccccc3C2=O)cc1OC1CCCC1 602254 DDYUBCCTNHWSQM-GOSISDBHSA-N 408.454 3.229 0 40 HGAB Cc1cc(Cl)ccc1NC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1 798694 UTLWYUGRMQVKPJ-UHFFFAOYSA-N 408.907 3.450 0 40 HGAB CCOc1ccc(Br)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)Nc2nnnn21 936956 DFPVHHFDASJLIE-OAHLLOKOSA-N 422.283 3.075 0 40 HGAB Cc1oc2c(C)c3oc(=O)c(CCC(=O)N4CCC(C(N)=O)CC4)c(C)c3cc2c1C 2111098 IALDKGSCGBTNJA-UHFFFAOYSA-N 424.497 3.429 0 40 HGAB biogenic O=C(COc1cccc2c1CCN(Cc1ccc(F)cc1)C2=O)NCc1ccco1 2716394 RKUHNQANOSOVFS-UHFFFAOYSA-N 408.429 3.312 0 40 HGAB COCCNC(=O)c1ccc2c(=O)n(Cc3ccccc3Cl)c(=S)[nH]c2c1 2969738 MNZKWQPKANYRJR-UHFFFAOYSA-N 403.891 3.137 0 40 HGAB CCc1cccc(CC)c1NC(=O)COC(=O)CCS(=O)(=O)c1ccc(C)cc1 3294251 FHKRWIVHKYKSJW-UHFFFAOYSA-N 417.527 3.466 0 40 HGAB COc1ccccc1-c1nnc(SCC(=O)Nc2ccc(C)c(Cl)c2)n1N 3373639 XOCBHACNVBPNAN-UHFFFAOYSA-N 403.895 3.360 0 40 HGAB CCS(=O)(=O)Nc1ccc(C2=NN(C(C)=O)[C@@H](c3ccccc3OC)C2)cc1 4036284 AUXZWSYFQJZHAH-LJQANCHMSA-N 401.488 3.154 0 40 HGAB COCCCNC(=S)N(Cc1cccnc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O 4127642 DFNIFKIXCPVBQY-UHFFFAOYSA-N 424.570 3.453 0 40 HGAB Cc1cc(C)c(NC(=O)Cn2cnc3c(cnn3-c3ccccc3C)c2=O)c(C)c1 4479017 PGLYDPNMHRFOPV-UHFFFAOYSA-N 401.470 3.455 0 40 HGAB Cc1ccc(S(=O)(=O)CCC(=O)Nc2sc3c(c2C(N)=O)CCCCC3)cc1 4496208 DPFIKKVKLDXLBU-UHFFFAOYSA-N 420.556 3.227 0 40 HGAB Cc1cccc(C)c1NC(=O)NC1(C(=O)NCCCN2CCCC2=O)CCCCC1 4982220 FALPPPKMFHRRMR-UHFFFAOYSA-N 414.550 3.257 0 40 HGAB Cc1cc(C(=O)COC(=O)c2n[nH]c(=O)c3ccccc23)c(C)n1Cc1ccccc1 5184359 MZDUSQGXVPAJDN-UHFFFAOYSA-N 415.449 3.429 0 40 HGAB COc1cc(/C=C2\SC(=N)N(c3ccc4c(c3)OCO4)C2=O)ccc1OC(C)=O 5519564 IATQOAGZPSINNC-ZJNXLSCTSA-N 412.423 3.405 0 40 HGAB CCO[C@H]1C[C@H](n2cnc3c(Nc4ccc(Cl)cc4)nc(C)nc32)[C@H](O)CO1 5812288 OEEHBHGFJYAGQG-ARFHVFGLSA-N 403.870 3.217 0 40 HGAB C[C@@H]1CCC[C@H](NC(=O)COC(=O)c2ccc(I)cc2)[C@@H]1C 5838926 AWURNTZRMJTBRE-JMSVASOKSA-N 415.271 3.389 0 40 HGAB Cc1ccc2c(c1)CCCN2CC(=O)NCC(=O)Nc1ccccc1Br 7214881 YXBSTANIRMMAFB-UHFFFAOYSA-N 416.319 3.265 0 40 HGAB Cc1ccc(-c2n[nH]c(SCC(=O)N3CCN(c4ccc(F)cc4)CC3)n2)cc1 7341971 HBRBPNZUIIYBHN-UHFFFAOYSA-N 411.506 3.360 0 40 HGAB C[C@@H]1CCCC[C@@H]1NC(=O)CN(C)CC(=O)Nc1ccc(OC(F)(F)F)cc1 8238454 PCHIXJBXDZUETJ-CJNGLKHVSA-N 401.429 3.150 0 40 HGAB C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)N(C)Cc1ccc(Cl)cc1Cl 8533880 VJPPOZJRNOTXRH-NSHDSACASA-N 416.330 3.100 0 40 HGAB O=C(CSc1ccccn1)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1 8720665 ARCAMSOYUSWWNW-UHFFFAOYSA-N 405.545 3.377 0 40 HGAB COc1ccc(NC(=O)C(=O)NC[C@H](c2ccsc2)N2CCCCCC2)cc1 8892900 QJSRPIMQHRMRPF-LJQANCHMSA-N 401.532 3.429 0 40 HGAB Cc1csc(CC(=O)N2CCN(C(=O)c3csc(-c4ccccc4)n3)CC2)n1 8920579 LSCGOKZPMWHEFN-UHFFFAOYSA-N 412.540 3.102 0 40 HGAB Cc1cc(C)n2c(SCC(=O)Nc3ccccc3C(=O)NC3CCCC3)nnc2n1 9050572 XXKLKDPIGDYQKT-UHFFFAOYSA-N 424.530 3.144 0 40 HGAB CS(=O)(=O)c1ccc(-c2nnc(NC(=O)c3cccc(Br)c3)o2)cc1 9346744 XZFYRRIGDGKNEV-UHFFFAOYSA-N 422.260 3.155 0 40 HGAB Cc1ccc(OCC(=O)n2nc(C)c(S(=O)(=O)N3CCC(C)CC3)c2C)c(C)c1 9569785 CCNKEIHWHOAXOP-UHFFFAOYSA-N 419.547 3.257 0 40 HGAB COc1ccccc1C(=O)N(c1ccc(Br)cc1)[C@@H]1C=CS(=O)(=O)C1 9834031 PHJIKNHWTDRRJB-OAHLLOKOSA-N 422.300 3.415 0 40 HGAB CC(C)N(C)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccncc3)cs2)cc1 10098305 OCVOJERZNPZXCE-UHFFFAOYSA-N 416.528 3.486 0 40 HGAB CCCCNC(=O)c1ccccc1NC(=O)c1cccc(NS(C)(=O)=O)c1C 10366256 IBTVFOUNPMRZIY-UHFFFAOYSA-N 403.504 3.149 0 40 HGAB CCc1nccn1C[C@@H](C)C(=O)N1CCC[C@@H](c2nc3ccccc3cc2C(N)=O)C1 12088399 KROCYYWVXFYOFQ-SJLPKXTDSA-N 419.529 3.135 0 40 HGAB COc1ccc([C@H]2c3cccn3CCN2S(=O)(=O)c2cccs2)cc1OC 12361652 XEHJCHNUXPHWFN-IBGZPJMESA-N 404.513 3.361 0 40 HGAB Cc1ccc2nc(-c3ccccc3)c(NC(=O)Cn3nc4n(c3=O)CCCCC4)n2c1 12535815 JDAACTMYRONNAJ-UHFFFAOYSA-N 416.485 3.033 0 40 HGAB COc1ccccc1[C@@H](NS(=O)(=O)c1ccc2c(c1)CCCC2)c1nccn1C 12560231 FTKCVQSIFSOIKX-OAQYLSRUSA-N 411.527 3.375 0 40 HGAB O=C(NCc1c(F)cccc1F)c1csc(NS(=O)(=O)c2ccccc2)n1 12628105 WHSJIEAJDRIMEA-UHFFFAOYSA-N 409.439 3.152 0 40 HGAB CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)NC3CC3)cc2)cc1 12652801 VXZLFZFPUXTPJS-UHFFFAOYSA-N 408.545 3.226 0 40 HGAB O=C(Nc1ccnn1Cc1ccccc1Cl)c1ccc2c(=O)n3c(nc2c1)CCC3 12752774 ZUTDWQKHOVNDOV-UHFFFAOYSA-N 419.872 3.493 0 40 HGAB CN(CC(=O)Nc1cccc(F)c1)C(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2 12765275 DIAVSVKUDZHBDS-UHFFFAOYSA-N 410.424 3.350 0 40 HGAB COc1ccccc1CNC(=O)Cn1cnc2cc(-c3ccccc3)sc2c1=O 12817344 SQJFIMKMVHBJLE-UHFFFAOYSA-N 405.479 3.450 0 40 HGAB CC(C)CN(C(=O)CN(C)Cc1cccc(Cl)c1Cl)[C@H]1CCS(=O)(=O)C1 12882115 RQZILTAOAJERSS-HNNXBMFYSA-N 421.390 3.097 0 40 HGAB O=C(NCc1ccccc1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 12928673 DRPRREFFPXNJSD-UHFFFAOYSA-N 409.511 3.056 0 40 HGAB COc1ccccc1NC(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1 12943672 JGMVFEPZBWHJLP-UHFFFAOYSA-N 402.516 3.441 0 40 HGAB CC1(C)O[C@@H]2O[C@H](C(=O)Oc3ccc4ccccc4c3)[C@@H]3OC(C)(C)O[C@@H]3[C@@H]2O1 13018402 ZDCHMLLJWMHZBP-NSOKGPEJSA-N 400.427 3.142 0 40 HGAB biogenic CCc1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2cc(F)ccc2OC)C1 13580627 ARHMPMDENBPEEL-INIZCTEOSA-N 420.506 3.436 0 40 HGAB CCOC(=O)C1CCN([C@H]2CC(=O)N(c3ccc(Oc4ccccc4)cc3)C2=O)CC1 13636620 LGICXQNMFARDRV-NRFANRHFSA-N 422.481 3.386 0 40 HGAB Cc1ccccc1N(CC(=O)NCC1(N2CCCCC2)CCCCC1)S(C)(=O)=O 14184297 OLAIGTKKQGFWTL-UHFFFAOYSA-N 421.607 3.066 0 40 HGAB COc1ccc(-n2cnn(CN3CCN(c4ccc(C(C)=O)cc4)CC3)c2=S)cc1 14205082 SIBIZXKXEXEDRS-UHFFFAOYSA-N 423.542 3.394 0 40 HGAB O=C(COC(=O)Cn1c(C(F)(F)F)nc2ccccc21)Nc1cccnc1Cl 15279525 MAUATPYAIYTPRA-UHFFFAOYSA-N 412.755 3.285 0 40 HGAB Cc1ccc(NC(=O)c2cn(C)c3c(=O)n(-c4ccc(Cl)cc4)c(=O)[nH]c23)cc1 17042363 MORURSHFDWSWEG-UHFFFAOYSA-N 408.845 3.232 0 40 HGAB Cc1cc(C)nc(S[C@@H](C)C(=O)N2CCC[C@@H](c3nc(-c4cccnc4)no3)C2)n1 19118826 JKTNPLXWARARNX-DOTOQJQBSA-N 424.530 3.425 0 40 HGAB Cc1cc(-c2cnc3cc(C)nn3c2[C@@H]2CCCN(CC(=O)NC3CCCC3)C2)on1 19124164 GKADJAKGGBBPBY-QGZVFWFLSA-N 422.533 3.239 0 40 HGAB Cc1nnnn1-c1ccc(CC(=O)N2CCc3sccc3[C@@H]2c2ccco2)cc1 19288425 WFZUSKQIJGVSHT-OAQYLSRUSA-N 405.483 3.342 0 40 HGAB O=C(Cn1c(=O)cnc2ccccc21)/N=c1\sccn1Cc1ccccc1Cl 19295211 QCGIPJXVHVHPAK-ATJXCDBQSA-N 410.886 3.089 0 40 HGAB C[C@@H](OC(=O)C1CCN(C(=O)c2ccco2)CC1)C(=O)N1c2ccccc2C[C@H]1C 19482863 BCPAVOYNLDUOAU-HZPDHXFCSA-N 410.470 3.041 0 40 HGAB CCc1noc(C)c1C(=O)N1CCC[C@@H]1c1nc(N(C)C)ncc1-c1cc(C)no1 19521224 CIMWGBRCSFICBM-MRXNPFEDSA-N 410.478 3.342 0 40 HGAB COCC(=O)N1C[C@H](c2ccc(F)cc2)[C@H]2CN(Cc3ccc(F)cc3)CC[C@H]21 19592960 SOBVUTXFFQJAOI-YPAWHYETSA-N 400.469 3.428 0 40 HGAB Cc1ccc(C)c(S(=O)(=O)NCCC(=O)NCc2cccc(C(F)(F)F)c2)c1 21872766 IKZPDGMQGAIDRY-UHFFFAOYSA-N 414.449 3.307 0 40 HGAB C[C@@H]1CCCC[C@@H]1NC(=O)CSCc1cc(=O)n2cc(Br)ccc2n1 23412047 IKSZCWOPXJGABN-DOMZBBRYSA-N 424.364 3.385 0 40 HGAB C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N1CCC(c2nc3ccccc3o2)CC1 25049850 LGVAATYSXZBGLQ-ZDUSSCGKSA-N 405.458 3.204 0 40 HGAB CC(=O)Nc1ccc(S(=O)(=O)Nc2cnn(Cc3cccc(Cl)c3)c2)cc1 28220564 KOGKXSZZPCOHND-UHFFFAOYSA-N 404.879 3.344 0 40 HGAB Cc1cccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c1 31108277 LSFFGABCNGEEQF-UHFFFAOYSA-N 406.935 3.366 0 40 HGAB COc1ccc(C)cc1CN1CCN(S(=O)(=O)C2=Cc3ccccc3CC2)CC1 32740520 JLCXFIAQPLAXED-UHFFFAOYSA-N 412.555 3.438 0 40 HGAB O=C(CCSCCN1C(=O)c2ccccc2C1=O)NCc1ccccc1Cl 32778649 PSDWLXOKWZBQEE-UHFFFAOYSA-N 402.903 3.376 0 40 HGAB O=C(NCc1ccc(Cn2cccn2)cc1)[C@@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 32795726 ZXMKTNFVTFPASS-JOCHJYFZSA-N 414.509 3.089 0 40 HGAB C/C=C/c1ccc(OCC(=O)N2CCCN(C(=O)C3CCCC3)CC2)c(OC)c1 32810310 QYEPLDGLGYJSQX-XVNBXDOJSA-N 400.519 3.358 0 40 HGAB COc1ccc(CNC(=O)c2ccc3c(=O)n4c(nc3c2)CCCCCC4)cc1O 32933062 BXHZFRCQTGUPTG-UHFFFAOYSA-N 407.470 3.157 0 40 HGAB COc1ccccc1CN1CCN([C@@H](c2ccccc2)c2nnnn2C(C)(C)C)CC1 35290716 PFAYLWYCLBPQQO-QFIPXVFZSA-N 420.561 3.344 0 40 HGAB CC[C@H](O)C[C@@H]1CC[C@H]([C@@H](C)C(=O)O[C@@H](CC)C[C@@H]2CC[C@H]([C@@H](C)C(=O)O)O2)O1 35455946 WGVQPPKZKAJDGR-VMEVAKLTSA-N 414.539 3.311 0 40 HGAB biogenic,in-vitro CCCn1c(=O)c2sccc2n2c(CCC(=O)NCc3ccc(C)cc3)nnc12 35528681 DGGFYPGAFVNRIA-UHFFFAOYSA-N 409.515 3.073 0 40 HGAB CC(C)(CNC(=O)CNC(=O)c1ccc(F)cc1)c1ccc(Br)cc1 40113439 FHCPXDCNWCCIST-UHFFFAOYSA-N 407.283 3.412 0 40 HGAB O=C(Nc1ccc(-n2cnnn2)cc1)[C@@H]1CCCN(c2nc3ccccc3s2)C1 40114806 VBPOPJMCOMGHNI-CQSZACIVSA-N 405.487 3.127 0 40 HGAB COc1ccc(OCCN2CCN(C(=O)c3ccccc3OC(F)F)CC2)cc1 40162113 VJZRXQWPSPZOPT-UHFFFAOYSA-N 406.429 3.133 0 40 HGAB CCOc1ccc(NCC(=O)Nc2ccc(C)c(S(=O)(=O)N(CC)CC)c2)cc1 40162263 CXEKODGSYPXWRZ-UHFFFAOYSA-N 419.547 3.475 0 40 HGAB CC(C)OC(=O)C[C@@H](NC(=O)[C@H]1CCCN(C(=O)N2CCCC2)C1)c1ccccc1 48340364 UHKVOSVDFONYRF-VQTJNVASSA-N 415.534 3.113 0 40 HGAB Cc1ccc(NC(=O)Cn2nc3cc(C)nc(-c4cccc(Cl)c4)n3c2=O)cc1 49407088 TXQSHNZHRRYKCM-UHFFFAOYSA-N 407.861 3.467 0 40 HGAB COc1nn(C)cc1C(=O)N1CCC(C(=O)Nc2ccc(Cl)cc2Cl)CC1 56906365 LNZIUKVGUOOCDL-UHFFFAOYSA-N 411.289 3.226 0 40 HGAB CN(C(=O)COC(=O)CNC(=O)c1ccc(-c2ccccc2)cc1)C1CCCCC1 58447194 AJBWSQUIBBPDCY-UHFFFAOYSA-N 408.498 3.418 0 40 HGAB CCn1c(CN(C)C(=O)[C@@H]2CC(=O)N(c3cc(C)ccc3OC)C2)nc2ccccc21 60163369 YYOMKJOSFSFJCP-QGZVFWFLSA-N 420.513 3.385 0 40 HGAB COc1ccc(-c2cn(CC(=O)Nc3ccc(NC(C)=O)cc3)nc2N(C)C)cc1 62006997 GLBQIYYNRUMRBO-UHFFFAOYSA-N 407.474 3.222 0 40 HGAB Cc1ccc(CNC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)c3ccccc3O2)cc1 64985328 HCLPVKXRFXOADP-JOCHJYFZSA-N 422.506 3.268 0 40 HGAB O[C@@H](COc1cccc2ccccc12)Cn1nc(N2CCOCC2)sc1=S 65553104 BAYSBPLWGSDHIP-OAHLLOKOSA-N 403.529 3.104 0 40 HGAB Cc1nc(-c2ccccc2)cc2nn(CC(=O)Nc3ccc(Cl)cc3F)c(=O)n12 67226662 QWYRTAJXVNJJGR-UHFFFAOYSA-N 411.824 3.298 0 40 HGAB COc1cccc(C(=O)N2CCN(C)C(=O)[C@@H]2Cc2cccc(-c3cccnc3)c2)c1 72351726 JFMCVCWZRQERSZ-QHCPKHFHSA-N 415.493 3.283 0 40 HGAB CN(C)S(=O)(=O)N1CCC(c2cncc(-c3cccc(C(F)(F)F)c3)n2)CC1 72359554 YLUGSVBZYIYYLE-UHFFFAOYSA-N 414.453 3.148 0 40 HGAB COc1cc(OC)c2cc(CCCNC(=O)c3cn(-c4ccccc4)nn3)[nH]c2c1 79057582 KOGGQUUVSDWYMF-UHFFFAOYSA-N 405.458 3.128 0 40 HGAB Cn1c(CN2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)nnc1-c1ccccc1 84307058 XDZJXVJAHCTUPE-UHFFFAOYSA-N 418.497 3.348 0 40 HGAB CCOc1ccc(S(=O)(=O)N2CCN(c3cccc(O)c3)CC2)c2ccccc12 95428897 YKXQHUYLKVFIFL-UHFFFAOYSA-N 412.511 3.455 0 40 HGAB C[C@H]1[C@H](c2ccc(Br)cc2)OCCN1C(=O)CNC(=O)C1CCCC1 95441528 IEKVMEXETGENCM-SCLBCKFNSA-N 409.324 3.044 0 40 HGAB O=C1[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@H]2C(=O)N1CN(C(=O)C(F)(F)F)c1cccc(Cl)c1 100395262 PKABERWKDXAODB-GTDBDLECSA-N 424.806 3.246 0 40 HGAB CCOC(=O)c1cccc(NS(=O)(=O)c2cc(C(=O)OC)ccc2Cl)c1C 223842085 FNJIQJOPLRSSRY-UHFFFAOYSA-N 411.863 3.413 0 40 HGAB O=C(Cc1ccc(-c2ccccc2)cc1)N1CCN(S(=O)(=O)c2ccccc2)CC1 224976038 GBIPGUHVAZJURT-UHFFFAOYSA-N 420.534 3.429 0 40 HGAB COc1ccc(CCCNS(=O)(=O)c2cc(Br)ccc2OC)cc1 224979139 BVSNRDDJZWDRIY-UHFFFAOYSA-N 414.321 3.377 0 40 HGAB COc1ccc(CCC(=O)Nc2cc(S(=O)(=O)NC(C)C)ccc2OC)cc1C 224990049 FPBVWJUABGOCFL-UHFFFAOYSA-N 420.531 3.270 0 40 HGAB CCc1ccccc1N(CC(=O)Nc1nnc(-c2ccccc2)s1)S(C)(=O)=O 225748446 LWEJEPPLWMOICG-UHFFFAOYSA-N 416.528 3.172 0 40 HGAB S=C(Nc1nc(Sc2ncccn2)cc(N2Cc3ccccc3C2)n1)NC1CC1 226004095 UQQMDFQTDICUAD-UHFFFAOYSA-N 421.555 3.387 0 40 HGAB OCCn1ncc(-c2ccnc(N3CCCC3)n2)c1[C@H]1CCCN1C[C@@H]1CC=CCC1 257205729 BAJDLLXLZXJYKP-DENIHFKCSA-N 422.577 3.426 0 40 HGAB Cc1nonc1COc1ccccc1C(=O)N1CCC[C@H](c2ccnc(N(C)C)c2)C1 257241526 HYILFTSSOJZRRA-SFHVURJKSA-N 421.501 3.438 0 40 HGAB O=C(NCc1ccc2c(c1)OCO2)Nc1ccc2nc(N3C(=O)CCC3=O)sc2c1 409132745 JWFKKDPDHQGFCT-UHFFFAOYSA-N 424.438 3.000 0 40 HGAB CC(=O)NCc1ccc(C(=O)N[C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)cc1 511827488 AVDHBLYCRKXUOA-HXUWFJFHSA-N 419.447 3.346 0 40 HGAB CCN(C)C(=O)c1cccc(C(=O)N2CCCC[C@H]2c2ccc(C(=O)OC)n2C)c1 1135175191 VOUIUPDOUWCNFZ-IBGZPJMESA-N 411.502 3.271 0 40 HGAB Cc1cc(OC[C@@]2(O)CCCN(C(=O)c3cn(C)nc3C)CC2)cc(C)c1Cl 2037912514 NCXXYLXKLHUXBA-OAQYLSRUSA-N 405.926 3.435 0 40 HGAB COCCn1c(SCc2nc3ccsc3c(=O)[nH]2)nnc1-c1cccc(C)c1 11340515 LNAOHYAYORYOCT-UHFFFAOYSA-N 413.528 3.490 0 40 HGAB Cc1cccc(-c2noc(CS(=O)(=O)[C@H](C)C(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)n2)c1 46176722 LPJNKQHHPWMHDS-LISAXSMJSA-N 419.547 3.289 0 40 HGAB COc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1[C@H](NC=O)CC2 1588902 QWMGUEXZTDFFTR-OAHLLOKOSA-N 401.484 3.195 0 40 HGAB CS(=O)(=O)N(CC(=O)Nc1ccc(F)c(F)c1)c1cccc(C(F)(F)F)c1 6453781 XJNVUCREZHHIKF-UHFFFAOYSA-N 408.348 3.388 0 40 HGAB COCCn1c(SCC(=O)Nc2cccc(N3CCCC3=O)c2)nc(C)c1C 32894056 NCUUPVCRDLXAIY-UHFFFAOYSA-N 402.520 3.004 0 40 HGAB Cc1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccc(F)c(F)c2F)no1 12028766 CBIKAWSBJPYIQY-HNNXBMFYSA-N 403.360 3.380 0 40 HGAB COC(=O)CSc1nc2ccccc2c(=O)n1CCc1c[nH]c2ccc(OC)cc12 9482816 JFKCXHASIDBHQH-UHFFFAOYSA-N 423.494 3.394 0 40 HGAB COCCNC(=O)[C@@H](C)[C@@H]1CC[C@@]2(C)CC[C@H](NC(=O)CC(C)(C)C)[C@@H](C)[C@@H]2[C@H]1O 20466384 HXQFIMTWFGQKAN-IINMDLNZSA-N 424.626 3.129 0 40 HGAB biogenic,in-vitro COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3c4ccccc4C[C@H]3C)C2)cc1 105033931 ZRJKNGOTMWKYEQ-AEFFLSMTSA-N 414.527 3.074 0 40 HGAB C[C@H]1CCc2sc(C(=O)NCCNS(=O)(=O)c3cccc(Cl)c3)cc2C1 23131591 VXLHTIAVGPUNHM-LBPRGKRZSA-N 412.964 3.235 0 40 HGAB COc1cc(CNC(=O)CN2C(=O)c3cccc4cccc2c34)cc(OC)c1OC 29358548 JYUHWNLEPWHSKU-UHFFFAOYSA-N 406.438 3.142 0 40 HGAB C[C@@H]1[C@@H](NC(=O)C2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)CCC[C@H]1C 104649902 CJDBEARHMRCKCG-GLJUWKHASA-N 414.518 3.306 0 40 HGAB CN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)O)cc1 1003916 QLFFGWSTOJENHR-OALUTQOASA-N 416.499 3.341 0 40 HGAB CN1CCN(c2ccccc2NS(=O)(=O)c2ccc(Br)s2)CC1 23846178 YQUOUFQDGVWYLY-UHFFFAOYSA-N 416.366 3.063 0 40 HGAB O=C(CN1C(=O)S/C(=C/c2ccc(Br)s2)C1=O)N1CCCC1 107692643 RBAKZWYJBOQPPT-JXMROGBWSA-N 401.307 3.169 0 40 HGAB NS(=O)(=O)c1ccc(CCNC(=O)Nc2ccc(SC(F)F)cc2)cc1 43118324 GVMTYSFVIKNHNX-UHFFFAOYSA-N 401.460 3.013 0 40 HGAB COC(=O)c1cc(NC(=O)c2ccc(OC[C@H]3CCCO3)cc2)cc(C(=O)OC)c1 24759828 PFUALUPSGMWRSQ-LJQANCHMSA-N 413.426 3.070 0 40 HGAB Cc1ccc(F)cc1NC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1 20012032 SNAIXCYOHGLMBN-UHFFFAOYSA-N 415.284 3.156 0 40 HGAB CCOc1ccccc1N(CC(=O)N[C@H](C)c1ccc(C)cc1C)S(C)(=O)=O 20048871 XMFDSVVSAIDJIK-QGZVFWFLSA-N 404.532 3.346 0 40 HGAB O=C(CSc1nnnn1C[C@@H]1CCCO1)N(c1ccccc1)C1CCCCC1 8327080 DECUNYGVKWAITG-SFHVURJKSA-N 401.536 3.310 0 40 HGAB Cc1ccc(CN2C[C@@H](C(=O)OCC(=O)Nc3ccc(C)c(Cl)c3)CC2=O)cc1 28609464 YITNLBOMPGYNEK-KRWDZBQOSA-N 414.889 3.487 0 40 HGAB CCS(=O)(=O)N1C[C@H](C(=O)N[C@@H](C)c2cc(C)ccc2C)Oc2ccccc21 113946535 OQRVMLKGCGHJRA-OXJNMPFZSA-N 402.516 3.098 0 40 HGAB CC(C)N(C)S(=O)(=O)c1cccc(C(=O)NCc2coc(-c3cccs3)n2)c1 26065328 KMCYNZGTNURBOP-UHFFFAOYSA-N 419.528 3.362 0 40 HGAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)N[C@@H]2CCCc3ccccc32)cc1 20013891 XWCYGFHBNZTHKA-OAQYLSRUSA-N 416.543 3.290 0 40 HGAB Cc1cccc(NC(=O)CN2CCN(CCC(=O)Nc3ccccc3F)CC2)c1C 22930838 YPDBDDCXJOTAFO-UHFFFAOYSA-N 412.509 3.027 0 40 HGAB CC(C)[C@H](NCC(=O)N1CCN(c2ncccn2)CC1)c1ccc(C(C)(C)C)cc1 57435050 CBXSUIFJAOOKQN-QFIPXVFZSA-N 409.578 3.410 0 40 HGAB Cc1cc(C)n2c(S[C@@H]3CC(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)nnc2n1 20799432 APBQRQLUMZDZPW-CYBMUJFWSA-N 422.297 3.472 0 40 HGAB CC(C)C[C@H](NC(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C)c1ccccc1 20035248 KDVNWEOZOKYNLB-IBGZPJMESA-N 421.538 3.342 0 40 HGAB CCOc1ccccc1[C@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(C3CC3)CC(=O)N21 2111490 RAABUXVQNLZVED-RDPSFJRHSA-N 415.493 3.414 0 40 HGAB biogenic O=C(CCCC(=O)N1CCC(c2noc3ccc(F)cc23)CC1)N1CCSCC1 44902938 PWSRCKQLSSZVFY-UHFFFAOYSA-N 419.522 3.419 0 40 HGAB CCOc1ccccc1N1C[C@@H](C(=O)Nc2cnc3c(cnn3C(C)C)c2)CC1=O 12781838 PODNEWNSMUKWGZ-INIZCTEOSA-N 407.474 3.403 0 40 HGAB Cc1noc2nc(-c3cccs3)cc(C(=O)N[C@H](C)C(=O)NCC(F)(F)F)c12 48289452 VJLQNTDOZVFOGS-SECBINFHSA-N 412.393 3.057 0 40 HGAB C[C@@H](C(=O)N[C@H]1CCCc2ccccc21)N1CCN(Cc2ccc3c(c2)CCO3)CC1 23247944 FVDMGCOPSXVNMV-CYFREDJKSA-N 419.569 3.321 0 40 HGAB COc1cc2c(cc1OC)CN([C@H](C)C(=O)NC(=O)Nc1ccc(C)cc1C)CC2 12864947 KWLPFGTXJVXSAQ-MRXNPFEDSA-N 411.502 3.416 0 40 HGAB CCCCNC(=O)COc1ccc(S(=O)(=O)NC2CCCCC2)cc1Cl 409352069 YKELSSHXUGOCFS-UHFFFAOYSA-N 402.944 3.246 0 40 HGAB CC(C)(C)NC(=O)COc1ccc(N(Cc2ccccc2F)S(C)(=O)=O)cc1 22233390 MKCQPRJKJBYGSQ-UHFFFAOYSA-N 408.495 3.085 0 40 HGAB COc1ccc(-c2n[nH]c(=S)n2CC(=O)Nc2ccc(OC)cc2OC)cc1 12999421 MQZCLTHMNXOAKB-UHFFFAOYSA-N 400.460 3.272 0 40 HGAB Cc1cc(CNC(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)ccc1F 12936623 KXIARSJXCDQQDT-UHFFFAOYSA-N 419.522 3.308 0 40 HGAB O=C(NCc1ccc(OC(F)(F)F)cc1)c1ccc2c(=O)n3c(nc2c1)CCC3 12995816 NAQMRCSKFAFBDN-UHFFFAOYSA-N 403.360 3.171 0 40 HGAB CCOc1ccc(Br)cc1S(=O)(=O)NCCCN1CCCCCC1 12936982 JUAXYXHXZWEKIR-UHFFFAOYSA-N 419.385 3.392 0 40 HGAB O=C(Nc1cccc(-c2ccc(=O)[nH]n2)c1)C1CCN(C(=O)Nc2ccccc2)CC1 69436406 BPOVBGYPTKZREO-UHFFFAOYSA-N 417.469 3.320 0 40 HGAB CC(C)[C@H](C(=O)OCCOc1ccc(S(N)(=O)=O)cc1)c1ccc(Cl)cc1 8474545 FUAPUBIREWVTTO-SFHVURJKSA-N 411.907 3.349 0 40 HGAB CCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccccc3C)cc2)CC1 4121614 DZUIUBRCJABAHQ-UHFFFAOYSA-N 410.543 3.180 0 40 HGAB CCOc1cc(C(=O)OCC(=O)NCCc2ccccc2)cc(OCC)c1OCC 6053331 IMNUXFBWKLMOOF-UHFFFAOYSA-N 415.486 3.398 0 40 HGAB CCc1cccc2c(/C=C3\SC(=O)N(CC)C3=O)cn(CC(=O)NCCOC)c12 409130207 KRVUDYCCGFWZKY-BOPFTXTBSA-N 415.515 3.023 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[C@H](C)c3ccccc3)CC2)cc1C 6237343 KGYRGIQJNMWXLA-IBGZPJMESA-N 400.544 3.330 0 40 HGAB Cc1cc(NS(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3ccccc3C)cc2)no1 4411691 GLLILZZCQHFKGN-HNNXBMFYSA-N 415.471 3.498 0 40 HGAB O=C(CN1CCN(C(=O)c2cc3c(s2)-c2ccccc2CC3)CC1)N1CCCCC1 14189024 KLPWSCRSLMAEHU-UHFFFAOYSA-N 423.582 3.284 0 40 HGAB COc1ccc(Cn2nnnc2SCC(=O)N2CCC[C@H]3CCCC[C@@H]32)cc1 14139216 ZHUOJRQWUHLDLU-AEFFLSMTSA-N 401.536 3.003 0 40 HGAB O=C1CCc2cc(S(=O)(=O)NCC3(N4CCCCC4)CCCCC3)ccc2N1 8771121 PMBCSLNVPDJFSR-UHFFFAOYSA-N 405.564 3.038 0 40 HGAB CN1CCN(Cc2nccs2)C[C@H]1c1nnn2cc(-c3cccc(F)c3)ccc12 306143615 YGVYHZQTLBMPRH-IBGZPJMESA-N 408.506 3.481 0 40 HGAB CCc1nnsc1C(=O)Nc1sc2c(c1C(=O)NCc1ccco1)CCC2 4941926 AHYMUQVEHWRFAN-UHFFFAOYSA-N 402.501 3.426 0 40 HGAB Cc1cccc(OC[C@H](O)CN2C(=O)N[C@](C)(c3cccc4ccccc34)C2=O)c1 7201312 MIDVIKXXJHAEOZ-HOYKHHGWSA-N 404.466 3.355 0 40 HGAB COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)[C@H]2COc3ccc(Cl)cc3C2)c1C 7546772 HNTYTVXEJZDYHL-GXTWGEPZSA-N 419.861 3.437 0 40 HGAB CCCOc1ccc(C(=O)O[C@H](C)C(=O)Nc2sccc2C(N)=O)cc1OCC 7635149 HOVHUBNSGFEROA-GFCCVEGCSA-N 420.487 3.219 0 40 HGAB COc1cc(NC(=O)CC[C@@H]2N=C(O)N([C@@H](C)c3ccccc3)C2=O)cc(OC)c1 8990503 FQESKGVYLMGXBS-LIRRHRJNSA-N 411.458 3.309 0 40 HGAB CS(=O)(=O)NCCc1ccc(C(=O)COC(=O)c2cc3ccccc3s2)s1 16126399 LYMWAOLQYQCFOZ-UHFFFAOYSA-N 423.537 3.094 0 40 HGAB COc1ccccc1NS(=O)(=O)c1cc(C(=O)O)cc(F)c1Br 96011301 MPRVPPMVLNOPAM-UHFFFAOYSA-N 404.213 3.096 0 40 HGAB O=C(NCc1cccnc1)c1nc([C@@H]2CCCN2Cc2ccccn2)n2ccccc12 306140780 VEELFTIPGJJTRA-NRFANRHFSA-N 412.497 3.391 0 40 HGAB COC(=O)c1cn([C@H]2CCN(C(=O)c3oc4c(ccc5ccccc54)c3C)C2)nn1 95940539 MRFQFRXWAOAGPB-HNNXBMFYSA-N 404.426 3.360 0 40 HGAB CC(C)(C)c1ccc(C(=O)N2CCC[C@H](c3n[nH]cc3NS(C)(=O)=O)C2)cc1 95998653 UIAZBUDMSBJNIW-HNNXBMFYSA-N 404.536 3.099 0 40 HGAB COc1cccc(N2C[C@H](C(=O)Nc3ccc(C(=O)OCC(C)C)cc3)CC2=O)c1 408639998 HCJOCJXAMMPHAZ-QGZVFWFLSA-N 410.470 3.500 0 40 HGAB C[C@H]1C[C@@H](C)CN(S(=O)(=O)N(C)CC(=O)Nc2c(Cl)cccc2Cl)C1 24830230 ALEIUFOQEXOQPZ-TXEJJXNPSA-N 408.351 3.086 0 40 HGAB CC1=C(C(N)=O)[C@H](c2ccccc2)NC(SCC(=O)Nc2c(C)cccc2C)=N1 408989366 KKTDJLJMUMNPCO-FQEVSTJZSA-N 408.527 3.435 0 40 HGAB CN(C)CCn1ncc2c1-c1ccccc1OC21CCN(C(=O)c2ccco2)CC1 306130786 JPIDVUUBSDSOPK-UHFFFAOYSA-N 406.486 3.229 0 40 HGAB COc1ccc(OCC(=O)N2N=C(c3ccc(C)cc3)C[C@]2(O)C(F)(F)F)cc1 409343816 JBAHXYFIRJQPNU-IBGZPJMESA-N 408.376 3.270 0 40 HGAB CCn1c(COc2ccccc2OC)nnc1SCC(=O)NC1CCCCC1 409340425 WZNHVNBRVKFPFD-UHFFFAOYSA-N 404.536 3.427 0 40 HGAB COc1ccc(-c2cc3ccc(OC(=O)N4CCOCC4)cc3oc2=O)cc1OC 4340230 IYBKAWMBROIDEY-UHFFFAOYSA-N 411.410 3.308 0 40 HGAB biogenic O=C1C[C@@H](c2cc(Br)ccc2OCc2ccc(F)cc2)N2NC=NC2=N1 409370485 RQTKJZVHOQXFMV-HNNXBMFYSA-N 417.238 3.343 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)[C@H](C)Oc1ccc(F)cc1 30868357 SCUOWMCKLDPFRB-AWEZNQCLSA-N 422.478 3.025 0 40 HGAB COc1ccccc1CCC1CCN(C(=O)C[C@]2(C)C(=O)N=C3C=CC=CN32)CC1 35316976 STKNWFUCUWTDTN-XMMPIXPASA-N 407.514 3.339 0 40 HGAB COc1ccc(C(=O)NC[C@H]2O[C@H](Cc3cc(-c4ccccc4)on3)CC[C@@H]2O)cc1 77262806 OUTBHOGOXCOCNB-QNWVGRARSA-N 422.481 3.231 0 40 HGAB biogenic,in-vitro Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2cnc(N3CCOCC3)c(C)c2)cc1 72219378 CKHBKFOGTJXAPT-OAQYLSRUSA-N 415.559 3.451 0 40 HGAB CCOc1ccc(NC(=O)CCNC(=O)c2nc(SCC)ncc2Cl)cc1 41156183 RGAFIDOLHYELBK-UHFFFAOYSA-N 408.911 3.399 0 40 HGAB Cc1ccccc1N(CC(=O)NCCOc1ccccc1C(C)C)S(C)(=O)=O 223755627 XNPSDZQMYAPZHM-UHFFFAOYSA-N 404.532 3.080 0 40 HGAB CCCc1ccc(OCCNC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)cc1 223637208 YNEHXNOZDZQQAN-UHFFFAOYSA-N 424.950 3.254 0 40 HGAB Cc1ccc(S(=O)(=O)c2cnc3ccccc3c2N2CCC(C(N)=O)CC2)cc1 49421514 GLGUNLOPVCHBEL-UHFFFAOYSA-N 409.511 3.078 0 40 HGAB CS(=O)(=O)N(CCCC(=O)NCCc1ccc(F)cc1)c1c(F)cccc1F 224886473 MOWQPYMITCKKHI-UHFFFAOYSA-N 414.449 3.009 0 40 HGAB C[C@H](C(=O)NCc1cccc2ccccc12)N(c1ccc(F)cc1)S(C)(=O)=O 222851590 ICSPMUYYYBKBAO-OAHLLOKOSA-N 400.475 3.450 0 40 HGAB CCc1ccc(CC)c(CNC(=O)CN(c2ccc(F)c(F)c2)S(C)(=O)=O)c1 224959113 HTSQZVYJUHHNGO-UHFFFAOYSA-N 410.486 3.172 0 40 HGAB C[C@H](NC(=O)CN(Cc1ccccc1F)S(C)(=O)=O)c1ccc2c(c1)CCCC2 223003669 IOYGUBANZYKTOR-INIZCTEOSA-N 418.534 3.344 0 40 HGAB COc1cccc(CNC(=O)c2nc3c(s2)CCN(C(=O)CC(C)C)CC3)c1 96146946 DTYROGIMURMGMS-UHFFFAOYSA-N 401.532 3.055 0 40 HGAB CC(C)CCN1C[C@H]2CCN(C(=O)c3cn(C)c4ccccc34)CC[C@H]2S1(=O)=O 96145563 WBYABQVFXBZNFQ-DYESRHJHSA-N 417.575 3.091 0 40 HGAB O=C(c1cnc2ccccn2c1=O)N1CCCC[C@@H]1c1nnc(-c2ccccc2F)o1 583622197 WWAATMHPJLPBQM-QGZVFWFLSA-N 419.416 3.251 0 40 HGAB Cc1cc(Cc2cccc(F)c2)cc([C@H]2CN(CC(=O)Nc3cc(C)on3)CCO2)n1 257268800 MNGFQUFXCRESOP-OAQYLSRUSA-N 424.476 3.428 0 40 HGAB Cc1nc(Nc2ncccc2C)cc([C@@H]2CCCN2C(=O)/C=C/c2cnn(C)c2)n1 585290481 BPJTUTZKKVQMJK-SGQUHAKNSA-N 403.490 3.342 0 40 HGAB Nc1cc(-c2cccs2)nn(CC(=O)N2CCC(Cc3ccccc3)CC2)c1=O 12146736 HDCZPNPQBPBQDL-UHFFFAOYSA-N 408.527 3.035 0 40 HGAB COc1ccccc1[C@]1(O)CCCN(C[C@@H](O)c2ccc3c(c2)CCCN3C(C)=O)C1 12291290 LFWQSCDXWXCRGA-NOZRDPDXSA-N 424.541 3.011 0 40 HGAB COc1ccc(CNC(=O)CCS[C@@H]2CCc3ccccc3NC2=O)cc1OC 12409082 JVTNNHMPXYVFSO-HXUWFJFHSA-N 414.527 3.397 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)N1c2ccccc2C[C@H]1C 13668692 PDWNKJLEDBJQHN-OAHLLOKOSA-N 400.500 3.071 0 40 HGAB Cc1cccc(Oc2ccc(NC(=O)CN3CCN(C(=O)[C@@H]4CCCO4)CC3)cc2)c1 16629385 SVMRPSNYKQTITA-QFIPXVFZSA-N 423.513 3.049 0 40 HGAB CC(C)(C)c1cc(C(=O)N2CCC[C@H](COc3ccc(F)cc3)C2)nc2ncnn12 19083866 JPMGMJOGCLVWTN-HNNXBMFYSA-N 411.481 3.492 0 40 HGAB Cc1nc2c(C)cccn2c1CN1C[C@@H](c2ccccn2)[C@@]2(CCCCC(=O)N2)C1 19237592 UEVBQTBVCXFZNW-YADARESESA-N 403.530 3.375 0 40 HGAB CCn1cc(S(=O)(=O)N2CCC[C@H]2c2nnc(-c3ccc(C)s3)o2)c(C)n1 19524644 LKLXBQOPZLXSEC-ZDUSSCGKSA-N 407.521 3.157 0 40 HGAB COc1ccc(CN2CCc3nc(-c4ccncc4)nc(NCCN(C)C)c3C2)cc1 19582963 QZHPYRHJRPXNAQ-UHFFFAOYSA-N 418.545 3.079 0 40 HGAB COc1cccc2c1OC[C@@H](C(=O)N1CCC(c3ccc(-c4cc[nH]n4)cn3)CC1)C2 19688054 KXFFBPRCPRTPKY-IBGZPJMESA-N 418.497 3.438 0 40 HGAB C[C@H](CN(C)C(=O)c1ccc(C2CCN(S(C)(=O)=O)CC2)nc1)c1ccccc1 19708076 OQAVALMOGALNHD-QGZVFWFLSA-N 415.559 3.096 0 40 HGAB CN(C)C(=O)c1cc([C@H]2CCN(C(=O)COc3ccc(F)cc3)C2)nc2ccccc12 19754620 XOUVTBIFWMVLCL-INIZCTEOSA-N 421.472 3.471 0 40 HGAB Cc1cccc2c1NCC[C@H]1CC[C@@H](CN(C(=O)Cn3nc4ccccc4n3)C2)N1C 643574457 YCJVEVRXEKCLTQ-UXHICEINSA-N 418.545 3.047 0 40 HGAB CCOC(=O)c1c(C[S@@](=O)c2cccc[n+]2[O-])oc2c(F)c(F)c(F)c(F)c12 16158867 XKLORINYMQPPGB-NDEPHWFRSA-N 417.336 3.107 0 40 HGAB O=C(Nc1cnn(Cc2cccc(F)c2)c1)[C@@H]1CC(=O)N(Cc2cccc(F)c2)C1 19718377 OAKLAXPANDWTHW-QGZVFWFLSA-N 410.424 3.197 0 40 HGAB COc1ccccc1N1CCN(C[C@H](O)CO[C@H]2C[C@H]3CC[C@@]2(C)C3(C)C)CC1 245108409 SWFMYEJWXJGCLJ-KFELQJHASA-N 402.579 3.410 0 40 HGAB Cc1ccc(N2C(=O)[C@@H](C(=O)N3CCOCC3)[C@@H](c3ccccc3)C(C)(C)C2=O)cc1 2425946 SUYPXZCBVICTHR-NHCUHLMSSA-N 420.509 3.153 0 40 HGAB C[C@@H](c1ccccc1)N1C(=O)N[C@](NC(=O)CCc2ccccc2)(C(F)(F)F)C1=O 4686622 LPXRIJMNCFASEZ-XOBRGWDASA-N 419.403 3.307 0 40 HGAB O=C(CCCSc1ccc(NC(=O)c2ccc(F)cc2)nn1)NC[C@@H]1CCCO1 11794486 AIOVPAKSQXBTDS-INIZCTEOSA-N 418.494 3.036 0 40 HGAB O=C(CCCc1ccccc1)N1CCC2(CC1)NC(=O)N(Cc1ccc(F)cc1)C2=O 17178781 PSOIFGLEGSMLNM-UHFFFAOYSA-N 423.488 3.262 0 40 HGAB Cc1ccc([C@H](CNC(=O)c2cccc(Br)c2)N2CCN(C)CC2)cc1 22582479 HLNUGIFZXNPIMC-FQEVSTJZSA-N 416.363 3.476 0 40 HGAB O=C(Cn1nc2c(c1NC(=O)CC1CCCCC1)CSC2)NCc1ccco1 23139350 ZXIZXBMMFGPBOE-UHFFFAOYSA-N 402.520 3.448 0 40 HGAB O=C(N1CCC(Cn2nc3c(cc2=O)CCCC3)CC1)C1(c2ccc(F)cc2)CC1 585500592 MNZPHGAOIKYFTH-UHFFFAOYSA-N 409.505 3.232 0 40 HGAB CCC(=O)c1ccc(OC[C@@H](O)CN2CCN(c3ccc(Cl)cc3)CC2)cc1 22608876 OWTBMYDTJGWTMY-FQEVSTJZSA-N 402.922 3.495 0 40 HGAB Cc1c(C)c(C)c(S(=O)(=O)N2CCN(CCOCC(F)(F)F)CC2)c(C)c1C 40152881 CZLIQHZSMHSPFE-UHFFFAOYSA-N 422.513 3.114 0 40 HGAB COc1cc(C(=O)N2CCC(n3nnc4cc(C)ccc43)CC2)cc(OC)c1OC 1380730 UYJGOQZJHVQGDU-UHFFFAOYSA-N 410.474 3.243 0 40 HGAB NC(=O)c1c(NC(=O)c2cc(-c3ccc4c(c3)OCO4)on2)sc2c1CCCC2 2465603 RXAGITGGZJGOGH-UHFFFAOYSA-N 411.439 3.362 0 40 HGAB O=C(Nc1ccccc1)C1CCN([C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)CC1 101490888 FXEWUPVNCIMYDZ-LJQANCHMSA-N 411.889 3.323 0 40 HGAB C[C@@H](NC(=O)CCC(=O)c1ccc2c(c1)OCCO2)c1ccc2c(c1)OCCCO2 32280931 PVAXXRCEDPHECT-OAHLLOKOSA-N 411.454 3.459 0 40 HGAB O=C(COc1ccc(OCc2ccccc2)cc1)OCN1C(=O)c2ccccc2C1=O 3435754 RJCPLSCZCBYQMN-UHFFFAOYSA-N 417.417 3.441 0 40 HGAB O=C(COc1ccc(Br)cc1)NCCc1nc(-c2ccccc2)no1 32593863 GWZDOVIRXJQNFA-UHFFFAOYSA-N 402.248 3.237 0 40 HGAB C[C@H]1CCc2nc(NC(=O)[C@@H]3CCCN3S(=O)(=O)c3ccccc3)sc2C1 32795868 DVUNFCAQMZRPBK-BBRMVZONSA-N 405.545 3.060 0 40 HGAB O=C(N[C@@H]1CCSc2ccccc21)C1CCN(S(=O)(=O)c2ccccc2)CC1 7985121 WRQDXYUHUANJEM-LJQANCHMSA-N 416.568 3.441 0 40 HGAB CC(C)(C)SCCNC(=O)CN(c1ccc(C(C)(C)C)cc1)S(C)(=O)=O 10338711 NUBMRVPMZPWHJQ-UHFFFAOYSA-N 400.610 3.398 0 40 HGAB COc1ccc(Cl)cc1N(CC(=O)N1c2ccccc2C[C@H]1C)S(C)(=O)=O 10449780 XYMXDSGWBQYYRW-CYBMUJFWSA-N 408.907 3.092 0 40 HGAB O=C(Nc1nc2c(s1)CN(Cc1ccccc1)CC2)[C@@H]1CC(=O)N(C2CCCC2)C1 8394789 WHCGFOCAEXKKJM-QGZVFWFLSA-N 424.570 3.431 0 40 HGAB Cc1ccccc1C(=O)N1CCC(C(=O)Nc2cccc(C(=O)NC3CC3)c2)CC1 10920019 WAGAZJIBMHSVQD-UHFFFAOYSA-N 405.498 3.378 0 40 HGAB O=C(C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)N1CCc2ccccc21 23125310 HPDGKYUTQMOYQO-UHFFFAOYSA-N 410.539 3.165 0 40 HGAB O=C(CN1CCN(C(=O)COc2ccc3ccccc3c2)CC1)Nc1ccccc1 23495248 BDBBDPVRYKQNKW-UHFFFAOYSA-N 403.482 3.002 0 40 HGAB O=c1c2ncccc2n(Cc2ccc(C(F)(F)F)cc2)c(=O)n1Cc1ccco1 57292969 UXMSFSRGGOXXOA-UHFFFAOYSA-N 401.344 3.267 0 40 HGAB Cc1cccc(-n2ccnc2SCCOc2ccc(S(N)(=O)=O)cc2)c1C 24836703 URMLKBVMKUGZTQ-UHFFFAOYSA-N 403.529 3.308 0 40 HGAB Cc1ccc(C(=O)Nc2nnc(SCc3cc(=O)n4ccsc4n3)s2)cc1 20984049 FLELRDFGVPADPA-UHFFFAOYSA-N 415.525 3.461 0 40 HGAB CCC(=O)N1CCc2c(nc3cc([C@H]4CCCN4Cc4ccccc4F)nn3c2O)C1 100234399 JGFUJEOMBBCQPC-HXUWFJFHSA-N 423.492 3.206 0 40 HGAB Cc1c(-c2ccccc2)sc(NC(=O)CN2CCCC2)c1C(=O)N1CCOCC1 10278578 IFOABWDSCSQBAC-UHFFFAOYSA-N 413.543 3.230 0 40 HGAB CCC[C@@H](NC(=O)[C@H](C)Oc1ccc2c3c(c(=O)oc2c1C)CCCC3)C(=O)O 2118263 ZIJZMHVMJCIGHL-SUMWQHHRSA-N 401.459 3.117 0 40 HGAB biogenic CCN(CC)CCNC(=O)c1ccc(NC(=O)/C=C/c2ccc3c(c2)OCO3)cc1 3290818 UGYWRHLAXGBLEZ-WUXMJOGZSA-N 409.486 3.139 0 40 HGAB COc1ccc2c(c1)CCCN2C(=O)[C@@H](CCSC)N1C(=O)c2ccccc2C1=O 10542128 GDXFHYFIVAKYQA-HXUWFJFHSA-N 424.522 3.392 0 40 HGAB COC(=O)c1ccccc1OS(=O)(=O)c1cc(Br)cnc1Cl 36397323 WQEUMRYNDAUVRW-UHFFFAOYSA-N 406.641 3.052 0 40 HGAB O=C(CNC(=O)C1CCCCC1)NCC1(c2ccc3c(c2)OCCO3)CCCC1 10776651 GUUBBSSTRGNEHN-UHFFFAOYSA-N 400.519 3.082 0 40 HGAB C[C@@H](Oc1ccc(Br)cc1)C(=O)N[C@@H]1CCS(=O)(=O)c2ccccc21 11003796 UMIJRGPYTBRYGN-MLGOLLRUSA-N 424.316 3.251 0 40 HGAB COc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCN(C)C)cc1OC 2439941 QMTZAOHVZIBENM-NRFANRHFSA-N 422.481 3.307 0 40 HGAB CSCC[C@H]1NC(=O)N(CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)C1=O 3329669 FPMHCNGWRUONCD-SNVBAGLBSA-N 410.710 3.259 0 40 HGAB CCOc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1 12757207 ZSGWSPHELJKOIQ-IYBDPMFKSA-N 418.515 3.136 0 40 HGAB Cc1cc(=O)c(C(=O)OCc2cnn(-c3ccccc3)c2)nn1-c1ccccc1F 12808267 YSAKNWPFSVKINK-UHFFFAOYSA-N 404.401 3.223 0 40 HGAB CCCCN(C(=S)Nc1cccc(C)c1C)c1c(N)n(CCC)c(=O)[nH]c1=O 13685162 JKIPVURCIGIIHV-UHFFFAOYSA-N 403.552 3.149 0 40 HGAB CCCCN1C(=O)C[C@@H](C(=O)Nc2nccs2)[C@H]1c1cccc(OC)c1OC 13689127 BNVWQQBTEWNRIK-RHSMWYFYSA-N 403.504 3.489 0 40 HGAB CS(=O)(=O)N(Cc1ccccc1)c1ccc(OCC(=O)N2CCCCC2)cc1 22231245 FRFVLBASCITBLB-UHFFFAOYSA-N 402.516 3.044 0 40 HGAB CCCc1cc(N2CCC([C@@H]3CCCCCN3C(=O)C3CC3)CC2)n2ncnc2n1 69969532 GKRRVNQXAACOJN-FQEVSTJZSA-N 410.566 3.474 0 40 HGAB NC(=O)Cc1csc(NC(=O)c2cc(-c3ccccc3)nn2-c2ccccc2)n1 14188034 UVQKCRIVMMKACN-UHFFFAOYSA-N 403.467 3.276 0 40 HGAB COc1cc([C@H]2CC(=O)N(c3ccc(Cl)cc3)C3=C2C(=O)OC3)cc(OC)c1O 4519959 MHHGWLZSMAKKAV-CQSZACIVSA-N 415.829 3.394 0 40 HGAB Cc1ccccc1NC(=O)COc1ccc(S(=O)(=O)NCc2ccccc2)cc1 409194009 MJBUQAZKWXAARM-UHFFFAOYSA-N 410.495 3.491 0 40 HGAB COc1cc(/C=C/C(=O)N2CCN(C(=O)c3ccccc3)CC2)ccc1OC(F)F 6510106 JHGVKKCXIJJYTB-CSKARUKUSA-N 416.424 3.294 0 40 HGAB CCCCc1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc(OC)cc3)C2=O)cc1 6608692 KPLPDODJVOVSNG-QHCPKHFHSA-N 409.486 3.444 0 40 HGAB O=C1CCCN1C(=O)CSc1nnc(COc2ccccc2Cl)n1C1CC1 5627171 JUPZYMVWGPIWAF-UHFFFAOYSA-N 406.895 3.087 0 40 HGAB CCc1nnc(NC(=O)CSc2nnc(CNc3ccc(F)cc3)n2CC)s1 6860947 DQOGUPNSHVCSCT-UHFFFAOYSA-N 421.527 3.194 0 40 HGAB Cc1ccc(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@@]4(C(=O)Nc5ccc(Cl)cc54)[C@@H]3C2=O)cc1 9282115 ZUBDDXQNELUVSP-QPXQOZNCSA-N 421.884 3.080 0 40 HGAB CN(Cc1ccccc1Cl)C(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 7058920 ZVYZCXGQJHENBY-HNNXBMFYSA-N 400.862 3.123 0 40 HGAB CCOc1ccccc1[C@@H]1CCC[C@]2(O)CCN(CC(=O)NCc3ccco3)C[C@@H]12 20529096 ZXFHIKYBELAUEJ-PTLVVNQVSA-N 412.530 3.315 0 40 HGAB biogenic,in-vitro CC(C)OCCCNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 9193456 WZVILIBCNZYPEO-UHFFFAOYSA-N 416.971 3.450 0 40 HGAB COc1ccc(OCC(=O)N2CCN(Cc3ccc(Br)cc3)CC2)cc1 19889409 KLPXGSFSXVIZAD-UHFFFAOYSA-N 419.319 3.181 0 40 HGAB NC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccco3)n2-c2ccccc2)cc1 9631237 TZPBRLGKKYATAN-UHFFFAOYSA-N 419.466 3.357 0 40 HGAB CCOc1ccc(C(=O)NCc2ccc(Cl)cc2)cc1S(=O)(=O)N1CCCC1 408696663 DFHSIDPJWVSTTJ-UHFFFAOYSA-N 422.934 3.453 0 40 HGAB O=C(COC(=O)c1cccc(N2C(=O)[C@H]3CCCC[C@@H]3C2=O)c1)Nc1ccc(F)cc1 408659098 LZGNVAWCOKAWFF-OALUTQOASA-N 424.428 3.301 0 40 HGAB O=C(COC(=O)c1ccc(COCC(F)(F)F)cc1)NCCc1ccc(F)cc1 32869330 CZZUMFXNAQGHTK-UHFFFAOYSA-N 413.367 3.420 0 40 HGAB CC[C@H](C(=O)N[C@@H](C)COc1ccccc1C)N(c1ccccc1)S(C)(=O)=O 219085566 SYUHWZGEHPXMFP-PKOBYXMFSA-N 404.532 3.123 0 40 HGAB Cc1ccc2oc(C(=O)N3CCNC(=O)[C@H]3c3ccccc3C(F)(F)F)cc2n1 542869978 GQZRKULESSMMJN-QGZVFWFLSA-N 403.360 3.468 0 40 HGAB COc1cccc(C(=O)N2CCC[C@H](c3nnc4ccc(C(F)(F)F)cn34)C2)c1O 32904423 WETVKMUTFAIHIM-LBPRGKRZSA-N 420.391 3.482 0 40 HGAB O=C(c1cccc(F)c1F)N1CCC[C@@H](Cc2cc(Nc3cnccn3)ncn2)C1 72383446 QRXCKGSOWHUTSV-AWEZNQCLSA-N 410.428 3.383 0 40 HGAB O=C(NCc1nc(-c2ccccc2)no1)C1CN(c2nc3c(F)cccc3s2)C1 62023134 XEAFDHGKTCAVCY-UHFFFAOYSA-N 409.446 3.238 0 40 HGAB COC(=O)c1ccc(Cl)c(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c1 36844797 ZTIGWNUBINLCBD-UHFFFAOYSA-N 422.890 3.163 0 40 HGAB Cc1cc(C)n([C@@H](C)CC(=O)N[C@H]2C[C@@]3(CCC(=O)N(C)CC3)Oc3ccccc32)n1 72327785 IQXWRLJHNTVTPX-WXVUKLJWSA-N 424.545 3.472 0 40 HGAB Cc1cc(Nc2cnccn2)cc([C@@H]2CCCN(S(=O)(=O)C3CCCC3)C2)n1 72375057 VSYOPPSDKWLPND-MRXNPFEDSA-N 401.536 3.375 0 40 HGAB Cc1ccc(C)c(NC(=O)Cn2nc3cc(C)nc(Nc4ccc(F)cc4)n3c2=O)c1 49410643 YIJRUMFNGXGWTO-UHFFFAOYSA-N 420.448 3.338 0 40 HGAB C[C@@H](C(=O)Nc1nnc(-c2ccccc2)s1)N(c1cccc(F)c1)S(C)(=O)=O 225062677 OVIWTJNHYGJRBD-LBPRGKRZSA-N 420.491 3.137 0 40 HGAB CCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(OC)c(OC)c1 223674720 BODAUAFMBBYFPW-GOSISDBHSA-N 412.530 3.498 0 40 HGAB COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(O)cc1 223698710 RDUAIUCDRJWCCE-NHCUHLMSSA-N 422.510 3.114 0 40 HGAB C=Cc1ccc(CN2N=C(C(=O)N3CCCC3)S(=O)(=O)c3ccc(C)cc32)cc1 49402651 QUAVFNDWYBBOEQ-UHFFFAOYSA-N 409.511 3.368 0 40 HGAB CN(C)[C@H](CNC(=O)[C@H]1CCCN(C(=O)c2ccoc2)C1)c1ccccc1Cl 43728864 NQXFGMRKTUGEPS-HNAYVOBHSA-N 403.910 3.204 0 40 HGAB Cc1cc(C(=O)Nc2ccc(C(N)=O)cc2)ccc1N(C)S(=O)(=O)c1ccccc1 224200338 LUVDEIYZXASZMG-UHFFFAOYSA-N 423.494 3.171 0 40 HGAB CCC(=O)N(Cc1ccc(Cl)cc1)[C@H](Cc1ccccc1)C(=O)NCCCO 223122725 WEAAPIUQJDCCDB-HXUWFJFHSA-N 402.922 3.189 0 40 HGAB CCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CCc1ccc2c(c1)OCCO2 224132118 MUDHPBGXKZUNAN-FQEVSTJZSA-N 410.514 3.334 0 40 HGAB C[C@H](CCc1ccccc1)NC(=O)C[C@H](NS(C)(=O)=O)c1ccc(Cl)cc1 225952839 OWRUNBBUXROQDO-BEFAXECRSA-N 408.951 3.458 0 40 HGAB CN1[C@H]2CCN(Cc3cccc(Cl)c3)CC[C@@H]2Oc2ccccc2S1(=O)=O 96145711 RZVHBOOMLQGBKD-ROUUACIJSA-N 406.935 3.386 0 40 HGAB COc1cccc([C@]2(O)CC[C@@H]3CN(S(=O)(=O)c4ccc(Cl)s4)C[C@H]32)c1 248265100 YSGLBGUKGVQADZ-CDHAZOANSA-N 413.948 3.328 0 40 HGAB COc1cc(CNC(=O)[C@@H]2[C@@H]3CC[C@@]4(CC(=O)c5ccccc5O4)[C@H]32)cc(OC)c1 247869437 CMVHSIXDJRAZPD-UCIDMZFESA-N 407.466 3.380 0 40 HGAB COCc1ccc(OC)c(CN2CCO[C@H](c3cccc(Nc4ncccn4)n3)C2)c1 257274268 NKGOKFHYGSEICL-NRFANRHFSA-N 421.501 3.344 0 40 HGAB COc1ccc(CCC(=O)N2CC[C@H](c3ncncc3-c3ccnc(N)c3)C2)cc1 257322083 WENRSAZUOXHECE-SFHVURJKSA-N 403.486 3.078 0 40 HGAB C[C@@H](NC(=O)CCc1nc2ccccc2[nH]1)c1cc(F)ccc1N1CCN(C)CC1 588217782 JTSXVSFHRYJULJ-MRXNPFEDSA-N 409.509 3.264 0 40 HGAB Cc1cc(C)nc(Nc2ccc([C@@H]3CCCN(C(=O)/C=C/c4cnn(C)c4)C3)nc2)n1 585291046 IJNQTAPPMHXDNQ-MBNRZODZSA-N 417.517 3.385 0 40 HGAB O=C(Cc1ccc(F)cc1)Nc1cc(C2CC2)nn1-c1nc2c(c(=O)[nH]1)CCCC2 12130599 JLHBZLQBMMHISK-UHFFFAOYSA-N 407.449 3.032 0 40 HGAB COc1ccc(C(=O)N2C[C@H]3CCCN(Cc4ccc5c(c4)OCCO5)[C@H]3C2)cc1 12188423 HOKSZFOAEJNLLW-CTNGQTDRSA-N 408.498 3.203 0 40 HGAB NC(=O)c1cc2ccccc2nc1[C@@H]1CCCN(C(=O)CCCc2ccncc2)C1 12255975 IPDRGRFMESBPDW-LJQANCHMSA-N 402.498 3.458 0 40 HGAB CCOc1ncccc1C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1cc(=O)[nH]c(C)n1 19531530 FCYDMLGTWCPLSJ-LJQANCHMSA-N 417.469 3.067 0 40 HGAB Cn1cc(-c2csc(NC(=O)CCn3c(=O)oc4cc(Cl)ccc43)n2)cn1 19661561 FZIPDXXZSBOKCW-UHFFFAOYSA-N 403.851 3.134 0 40 HGAB CN(Cc1cc(N(C)C)nc([C@@H]2CCCCN2)n1)C(=O)CCc1ccc(N(C)C)cc1 19709855 SOYSBDLZXZWUDZ-NRFANRHFSA-N 424.593 3.014 0 40 HGAB CC(=O)NC1(c2ccccc2)CCN(Cc2nc(-c3cccnc3Cl)no2)CC1 12233673 VSQDIFBILUGQKI-UHFFFAOYSA-N 411.893 3.412 0 40 HGAB NS(=O)(=O)C[C@@H]1CCCN(C(=O)c2ccc(-c3nc4ccccc4s3)s2)C1 553822874 UELAMPZCRAIDQI-GFCCVEGCSA-N 421.569 3.166 0 40 HGAB CS(=O)(=O)N1CCCc2ccc(NC(=O)c3cc(-c4cccc(F)c4)no3)cc21 19666789 NIHPXWCUGCVCJS-UHFFFAOYSA-N 415.446 3.445 0 40 HGAB COc1ccc([C@@H]2[C@@H](NC(=O)[C@H](C)CN3CCOCC3)[C@@H]3CCCC[C@H]32)cc1OC 257292741 QMTRVFBSDSLGJE-XIQGKOAISA-N 416.562 3.061 0 40 HGAB NS(=O)(=O)c1ccc(CCNC(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1 26457062 UPUXGACOUBCSPP-UHFFFAOYSA-N 406.935 3.158 0 40 HGAB Cc1ncc(C(=O)N2CCC[C@](O)(COc3cc(C)c(Cl)c(C)c3)CC2)cn1 2037912292 JBEUKNSCVLSARS-OAQYLSRUSA-N 403.910 3.491 0 40 HGAB Cc1ccc(C)c(-c2nnc(NC(=O)CCS(=O)(=O)c3ccc(F)cc3)o2)c1 4496286 KNVLFEKYERRGDT-UHFFFAOYSA-N 403.435 3.295 0 40 HGAB CS(=O)(=O)c1ccc(CC(=O)Nc2nnc(-c3ccc4c(c3)CCCC4)o2)cc1 10252827 KNPGBOIJGIJQOW-UHFFFAOYSA-N 411.483 3.200 0 40 HGAB CCOC(=O)N1CCN(C(=O)CCc2csc3nc(-c4ccccc4)cn23)CC1 16848749 JXJLZOGTVGRHQN-UHFFFAOYSA-N 412.515 3.296 0 40 HGAB O=C(NCc1ccccc1)C(=O)NC[C@@H](c1cccs1)N1CCc2ccccc2C1 22908008 MWWSDCYORPLUHF-NRFANRHFSA-N 419.550 3.280 0 40 HGAB COc1cccc(S(=O)(=O)N2CCC(COc3ccc(C(C)(C)C)nn3)CC2)c1 1775969870 PKPNYNQBWNHDIB-UHFFFAOYSA-N 419.547 3.262 0 40 HGAB O=S(=O)(NCc1nccnc1-c1ccco1)c1ccc(Br)s1 575414247 JMNOAWYXUKSRME-UHFFFAOYSA-N 400.279 3.039 0 40 HGAB CCCCn1c(SCC(=O)NC(=O)Nc2ccc3c(c2)OCO3)nc(C)c1C 40049965 ZFDABNUSQSOEMF-UHFFFAOYSA-N 404.492 3.469 0 40 HGAB O=C(Cn1cnc2ccc(F)cc2c1=O)Nc1nc2c(s1)CCc1ccccc1-2 40069564 OFTGRLBHEBHPCL-UHFFFAOYSA-N 406.442 3.396 0 40 HGAB COc1ccc(OC)c(CN2CCN(C(=O)CCn3ccc4ccccc43)CC2)c1 30107221 GAIODBMBKITKNF-UHFFFAOYSA-N 407.514 3.393 0 40 HGAB O=C(CN1CCC[C@@H](C(=O)Nc2ccccn2)C1)Nc1ccc(OC(F)(F)F)cc1 40149563 QWVDCVRUYKQARR-CQSZACIVSA-N 422.407 3.269 0 40 HGAB Cc1ccc2c(c1)c(=O)n(C)c1nnc(CSc3nncn3-c3ccccc3C)n21 40114155 KKADFAAVGYGMDX-UHFFFAOYSA-N 417.498 3.071 0 40 HGAB C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)c1ccc(CCNS(C)(=O)=O)s1 31333742 BTAACMXIJKSFON-LBPRGKRZSA-N 400.953 3.326 0 40 HGAB Cc1nc(-c2ccccn2)sc1C(=O)N1CCN(Cc2ccc3c(c2)CCO3)CC1 31952720 YXVDCFNPKCUCGY-UHFFFAOYSA-N 420.538 3.406 0 40 HGAB CCN(C(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1)c1ccc(F)cc1 32738375 RQZWBEJAIALIMK-IYBDPMFKSA-N 420.506 3.290 0 40 HGAB Cc1ccc(N(CC(=O)NC2CCCC2)C(=O)CCC(=O)Nc2nccs2)cc1 4848315 NFTGDHKPCQBWOB-UHFFFAOYSA-N 414.531 3.262 0 40 HGAB CCCOc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(F)cc3)CC2=O)cc1 6881015 KGARSTRQNBUQFL-HNNXBMFYSA-N 414.433 3.149 0 40 HGAB COc1ccc(-c2csc3nc(CC(=O)N4CCCCC4)[nH]c(=O)c23)cc1OC 2643562 ZNBQRILBJBNIFN-UHFFFAOYSA-N 413.499 3.224 0 40 HGAB COc1cccc(N(CC(=O)N2CCC[C@H](C)C2)S(=O)(=O)c2ccc(C)cc2)c1 10541243 GIFIVZJQEFVMES-SFHVURJKSA-N 416.543 3.457 0 40 HGAB COc1ccc(OC[C@@H](C)NC(=O)c2ccc(I)cc2)cc1 10542558 HAODIIXPEMUPRO-GFCCVEGCSA-N 411.239 3.497 0 40 HGAB COc1cccc(CCCNS(=O)(=O)c2ccc(OC)c(Br)c2)c1 10543447 KGPOLHICWKFSJW-UHFFFAOYSA-N 414.321 3.377 0 40 HGAB C[C@H](SCc1ccc(Br)cc1)C(=O)N[C@H](C(N)=O)c1ccccc1 12051879 ZDLLHRSYJALONX-LRDDRELGSA-N 407.333 3.414 0 40 HGAB CC(C)(C)C(=O)[C@H]1[C@@H]2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@@H]2[C@H]2C=CC=NN21 9330112 PBCZZUVKQDBLBP-KLHDSHLOSA-N 420.296 3.323 0 40 HGAB CC[C@H](CNC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1)c1ccccc1 9806353 OLZHSHNSCWIZLF-QGZVFWFLSA-N 419.522 3.035 0 40 HGAB COc1ccccc1N1CCN(C(=S)Nc2cc(OC)c(OC)c(OC)c2)CC1 9877191 GCHLVKBCXPNATB-UHFFFAOYSA-N 417.531 3.240 0 40 HGAB C[C@H]1CCCC[C@H]1NC(=O)CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O 33654416 UVUPKLKQLGMVLL-FXAWDEMLSA-N 405.498 3.177 0 40 HGAB COc1ccc(-c2noc(CN3CCN(C(=O)c4cc5ccccc5[nH]4)CC3)n2)cc1 22604072 PDAHICHMNDTYNT-UHFFFAOYSA-N 417.469 3.185 0 40 HGAB Cc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)NCc2ccccc2)cc1 921477 KLVWYSYWAUMDOS-QHCPKHFHSA-N 420.534 3.427 0 40 HGAB COc1ccc(NC(=O)[C@H](C)NC(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1 61719102 HKIOJQOXBQYTGT-HNNXBMFYSA-N 416.909 3.207 0 40 HGAB O=S(=O)(c1ccccc1F)N1CCN(Cc2coc(-c3cccs3)n2)CC1 23882577 OTRDTVSVDHIOFV-UHFFFAOYSA-N 407.492 3.049 0 40 HGAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)NCc1ccccc1CN1CCOCC1 23956393 GYOLVAIBJZHSEB-XMMPIXPASA-N 419.525 3.099 0 40 HGAB Cc1ccc([C@@H](OC[C@@H](O)CN2C(=O)NC3(CCCC3)C2=O)c2ccccc2)cc1 24094617 BZJSAYGFSAHGQG-SFTDATJTSA-N 408.498 3.327 0 40 HGAB COc1ccc(N2C(=O)C[C@H](Nc3ccc(Br)cc3)C2=O)c(OC)c1 101276122 JTGJCADERSDAMS-AWEZNQCLSA-N 405.248 3.210 0 40 HGAB CS(=O)(=O)Cc1cccc(C(=O)OCc2cc(=O)oc3cc4c(cc23)CCC4)c1 17833394 TUTOKDMZEPDTCP-UHFFFAOYSA-N 412.463 3.183 0 40 HGAB CC(=O)c1ccc(N2CCN(CC(=O)NC3CCC(C(F)(F)F)CC3)CC2)cc1 26159942 ZHTLOBYKUARWQZ-UHFFFAOYSA-N 411.468 3.249 0 40 HGAB CC1(C)O[C@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@]2(C(=O)CO)O1 118917798 GYZQGDLMCLYUQG-IFJSUOHDSA-N 404.547 3.372 0 40 HGAB CCOC(=O)C1CCN(C(=O)Cn2cccc2-c2nc(-c3ccc(C)cc3)no2)CC1 57486855 DCBRPDSISVCZGX-UHFFFAOYSA-N 422.485 3.315 0 40 HGAB CCOc1ccccc1N1CCN([C@@H](C)C(=O)Nc2ccc(NC(C)=O)cc2)CC1 58162291 KCGPBZHGTWNQKN-KRWDZBQOSA-N 410.518 3.193 0 40 HGAB COCc1nc(N2CCN(c3ccccc3)CC2)[nH]c(=O)c1CCc1ccccc1 22448735 PAWADDIOPQZVIP-UHFFFAOYSA-N 404.514 3.028 0 40 HGAB COCCn1c(N)c(C(=O)NCc2ccccc2Cl)c2nc3ccccc3nc21 2251170 TZVOXECVKHUYIG-UHFFFAOYSA-N 409.877 3.397 0 40 HGAB CC(C)Oc1cccc(-c2nnc(SCC(=O)Nc3ccccc3F)n2N)c1 2371119 XUAUSVVIKDWXDO-UHFFFAOYSA-N 401.467 3.316 0 40 HGAB CCOC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)CNc1nncs1 2350493 RIJIOVWKAMBMSM-UHFFFAOYSA-N 424.280 3.009 0 40 HGAB COc1ccc(NC(=O)[C@]2(C)CC2(Cl)Cl)cc1S(=O)(=O)N1CCCCC1 12759782 TZFYHEZWMUFGLI-INIZCTEOSA-N 421.346 3.392 0 40 HGAB O=C(c1cn[nH]c1C(F)(F)F)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 48314751 PKFIEDGRGPQLEG-UHFFFAOYSA-N 407.318 3.195 0 40 HGAB Cc1nn(Cc2ccccc2)c(C)c1C(=O)OCC(=O)Nc1ccc2c(c1)OCCO2 3499729 FLQCIORSOBXBEM-UHFFFAOYSA-N 421.453 3.115 0 40 HGAB CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)c1ccccc1Br 13131166 WOTLTNJUCYWYNI-UHFFFAOYSA-N 419.275 3.321 0 40 HGAB CCOC(=O)c1c(NC(=O)COC(=O)[C@]2(C)CC2(Cl)Cl)oc(C)c1C(C)=O 13134583 NMHNGMBQJYMOBL-INIZCTEOSA-N 420.245 3.033 0 40 HGAB CCCc1nc2c(sc3nc4c(cc32)COC(C)(C)C4)c(=O)n1CC(OC)OC 8644871 WLTOMNYUGWNMIQ-UHFFFAOYSA-N 417.531 3.429 0 40 HGAB Cc1cccc(N2CCN(CN3C(=O)[C@H](C)N(c4ccc(F)cc4)C3=O)CC2)c1C 49622731 BKMOMCFZDBKMJL-SFHVURJKSA-N 410.493 3.379 0 40 HGAB Cc1ccc(C)c(NC(=O)CN(C)S(=O)(=O)c2ccc3nc(C)sc3c2)c1 5141870 QYWJSNJKFUVSIZ-UHFFFAOYSA-N 403.529 3.481 0 40 HGAB Cc1cc(C)c(NC(=O)CNC(=O)COC(=O)c2ccc3ncsc3c2)c(C)c1 4326440 BIPCUJAESPXQBY-UHFFFAOYSA-N 411.483 3.133 0 40 HGAB COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2c(NC(C)=O)sc(C)c2C)c1C 5326719 PUUDBLLFZWIULO-LLVKDONJSA-N 420.487 3.483 0 40 HGAB CCc1ccccc1N1CCN(S(=O)(=O)c2cc(OC)c(Cl)cc2OC)CC1 4513485 ZDMMWYNAPSRUBT-UHFFFAOYSA-N 424.950 3.431 0 40 HGAB COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)COC(=O)c2cnccn2)cc1 5470163 YBXYHYOMRGSTOC-NRFANRHFSA-N 416.437 3.020 0 40 HGAB CCNC(=O)NC(=O)[C@H](Sc1nnc(Cc2cccs2)n1C)c1ccccc1 5580363 JSXDVHVKZRYQJD-MRXNPFEDSA-N 415.544 3.147 0 40 HGAB CCCc1onc(C)c1C(=O)N1CC2(C[C@H](COCc3cccnc3)CCN2C)C1 306135649 OWUOZSKPZQWDAK-GOSISDBHSA-N 412.534 3.084 0 40 HGAB Cc1ccc2c(c1)CCCN2CC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 7494374 HHIOIWVVWORPEM-UHFFFAOYSA-N 413.543 3.171 0 40 HGAB CS(=O)(=O)Cc1ccc(C(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2)cc1 9245600 WIBBCPGUFFJSFE-UHFFFAOYSA-N 424.526 3.468 0 40 HGAB Cc1cccc2cc(CN(C[C@H]3CCCO3)S(=O)(=O)c3ccccc3)c(=O)[nH]c12 9487918 RMXOKYWRMTUEQM-LJQANCHMSA-N 412.511 3.206 0 40 HGAB Cc1nc2cc(NC(=O)c3ccc(Cl)c(S(=O)(=O)NC4CC4)c3)ccc2o1 9549901 SPAPSZWNMITJDI-UHFFFAOYSA-N 405.863 3.483 0 40 HGAB CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)CCn1c(=O)[nH]c(=O)c2ccccc21 71844177 UVIBOPNCMBMZME-ICSRJNTNSA-N 405.498 3.265 0 40 HGAB Cc1ccc(C(=O)c2ccccc2NC(=O)CNS(=O)(=O)c2ccccc2)cc1 97165833 MIHNBEDLHGZIFJ-UHFFFAOYSA-N 408.479 3.143 0 40 HGAB C[C@H](OCC1CC1)C(=O)OCc1ccccc1CCOC(=O)[C@@H](C)OCC1CC1 95456174 CODKCRGWDCPSNO-SJORKVTESA-N 404.503 3.446 0 40 HGAB COc1cccc(C(=O)N2CCN([C@@H]3CCCN(Cc4ccccc4)C3)CC2)c1OC 95457068 NJGANIVXBYATLN-OAQYLSRUSA-N 423.557 3.126 0 40 HGAB Cc1ncsc1C(=O)N[C@@H]1CCCC[C@]12CN(C[C@H]1C[C@@H]3C=C[C@H]1C3)CCO2 306124340 BMYJZPSYNRLJRA-XPEFGHIFSA-N 401.576 3.407 0 40 HGAB CN1C[C@H](C(=O)N(C)Cc2ccccc2)OC2(CCN(Cc3cccs3)CC2)C1 306138313 RUSUXJBPGQUOLS-OAQYLSRUSA-N 413.587 3.072 0 40 HGAB COC(=O)c1ccc(F)c(NC(=O)c2cccc(S(=O)(=O)NC3CCCC3)c2)c1 32455184 MISMZFCRHBKSGC-UHFFFAOYSA-N 420.462 3.086 0 40 HGAB COc1ccc(/C=C(\Sc2nnc(C)o2)C(=O)O)cc1I 408632064 JSESCFKEMQPURI-WDZFZDKYSA-N 418.212 3.209 0 40 HGAB O=C(Cn1ccc2ccccc2c1=O)NC[C@H](c1ccc(Cl)cc1)n1cccn1 1542528083 QRRCVTUVRAYGQQ-HXUWFJFHSA-N 406.873 3.257 0 40 HGAB O=S1(=O)C[C@H]2N=C(SCCOc3ccccc3)N(c3ccc(Cl)cc3)[C@H]2C1 32640636 MROXPKWLEDHAPG-MSOLQXFVSA-N 422.959 3.494 0 40 HGAB CCN1CCc2nc(-c3ccc(F)cc3)n(CC(=O)Nc3cccc(F)c3)c(=O)c2C1 62007147 SHMMPSSIXGLKKE-UHFFFAOYSA-N 424.451 3.205 0 40 HGAB O=C(CSc1ccc(F)cc1)Nc1nnc([C@H]2CC(=O)N(c3ccccc3)C2)o1 62022971 HUHGXBDERPZSEH-ZDUSSCGKSA-N 412.446 3.460 0 40 HGAB C[C@H]1C[C@@H]1C(=O)N1CCC(c2nc3c(c(=O)[nH]2)CN(CC2CCCCC2)CC3)CC1 72398735 DJNQQKJQDPXHIO-LPHOPBHVSA-N 412.578 3.070 0 40 HGAB COc1ccc(S(=O)(=O)N(C)c2cc(C(=O)Nc3cccnc3)ccc2C)cc1 224324339 TXWVHGFIEFHPAZ-UHFFFAOYSA-N 411.483 3.476 0 40 HGAB O=C1CCC(=O)N1c1ccc(S(=O)(=O)NCCSc2ccc(Cl)cc2)cc1 225077526 CWKTXKWTLDVKIM-UHFFFAOYSA-N 424.931 3.064 0 40 HGAB CCCn1c(=O)sc2cc(S(=O)(=O)NCCOc3cc(C)ccc3C)ccc21 224053098 STIAGNOCEZIQCX-UHFFFAOYSA-N 420.556 3.447 0 40 HGAB O=C(CS(=O)(=O)Cc1cccc2ccccc12)NCCOc1ccc(F)cc1 224953153 SGOALCSIVBFRBX-UHFFFAOYSA-N 401.459 3.089 0 40 HGAB CCCSc1nnc(NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)s1 223264179 YGXIULHLIHYQSO-UHFFFAOYSA-N 412.562 3.077 0 40 HGAB COc1ccc(N2C(=O)CS[C@@]23C(=O)N(CN2CCCCC2)c2ccccc23)cc1 226758648 ZXFCDYMSTODJBE-QHCPKHFHSA-N 423.538 3.418 0 40 HGAB O=C1c2ccccc2C(=O)N1Cc1nn2c(C34CC5CC(CC(C5)C3)C4)nnc2s1 80346324 CIKAGVIHNGZCIT-UHFFFAOYSA-N 419.510 3.450 0 40 HGAB COc1ccc(CN(C)C(=O)Cn2ccc(=O)c3cc(Br)ccc32)cc1 225918738 VUXBASPXLSUZMZ-UHFFFAOYSA-N 415.287 3.431 0 40 HGAB CCc1ccc(OCCNC(=O)[C@@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)cc1 223897904 QYWIDDRGHIGPEJ-OAHLLOKOSA-N 424.950 3.252 0 40 HGAB CCN1CC[C@]2(CN(CC(C)C)CC23CCN(C(=O)c2ccc(C)cc2)CC3)C1=O 96144325 FEXZXRCDCKTUAE-VWLOTQADSA-N 411.590 3.428 0 40 HGAB O=C(c1ccc(-c2ccc(Cl)c(Cl)c2)cc1)N1CC(N2C(=O)CNC2=O)C1 253473575 WMNPNIDKKHVMOD-UHFFFAOYSA-N 404.253 3.037 0 40 HGAB C[C@@H]1[C@@H](NC(=O)N[C@H](CC(N)=O)c2ccc(Cl)cc2)CCN1Cc1ccccc1 1683098960 AFISJJCXQDITIY-UIAACRFSSA-N 414.937 3.219 0 40 HGAB O=C(c1cncc(Br)c1)N1CCC(Oc2cnc3ccccc3n2)CC1 90678261 MCTSEBDUSHSVFI-UHFFFAOYSA-N 413.275 3.471 0 40 HGAB O=C(NCCn1nc(-c2ccncc2)cc1C1CC1)c1cc(=O)c2ccccc2o1 96121664 JXKIMYCUXMNCOK-UHFFFAOYSA-N 400.438 3.359 0 40 HGAB Cc1cc(C)cc(OC[C@@]2(O)CN(C[C@]3(O)CC[C@@H](C(C)(C)C)CC3)CC[C@@H]2O)c1 585285132 CPUCJHXXTCCTOI-INWJIATQSA-N 419.606 3.447 0 40 HGAB Cc1csc(N2CCN(C(=O)c3cnn(C(C)(C)C)c3C(F)(F)F)CC2)n1 57110450 JNKHHXCUFQJNNK-UHFFFAOYSA-N 401.458 3.384 0 40 HGAB CCc1nc2ccccc2n1CC(=O)N1CCC[C@H](c2nc(-c3cccnc3)n[nH]2)C1 12087317 ZUELJVSLZUWBJH-KRWDZBQOSA-N 415.501 3.185 0 40 HGAB Cc1cccc(NC(=O)N2CCN(c3ccc4nnc(-c5ccco5)n4n3)CC2)c1C 13700754 BXHXNNKQOVJAJZ-UHFFFAOYSA-N 417.473 3.355 0 40 HGAB O=C(NCCOc1ccccc1)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 17849977 YKKHMAYNWVRVAZ-UHFFFAOYSA-N 422.934 3.323 0 40 HGAB COc1cccc([C@H](NC(=O)Cc2ccc(-n3nnnc3C)cc2)c2ccccc2)c1 19288439 KICYKQZGTSTBPA-XMMPIXPASA-N 413.481 3.428 0 40 HGAB O=C(CCc1ccccc1)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CN(C2CCCC2)CC3)C1 19370658 NDXYHRBOCASWKL-LJQANCHMSA-N 420.557 3.019 0 40 HGAB CC(C)NC(=O)[C@@]1(Cc2cccc(-c3ccncc3)c2)CCN(C(=O)[C@@H]2CCCO2)C1 19449183 JHXALNKORUGAPV-WIOPSUGQSA-N 421.541 3.213 0 40 HGAB COc1ccccc1N1C[C@H](NC(=O)C2(c3cc(C)cc(C)c3)CCOCC2)CC1=O 19569519 SDOJMTMIFPJGON-HXUWFJFHSA-N 422.525 3.282 0 40 HGAB Cc1cc(C)n(C)c(=O)c1C(=O)N[C@H](Cc1ccccc1)c1ccc2c(c1)OCCO2 19572226 VQLWEWJOOMMFMU-HXUWFJFHSA-N 418.493 3.487 0 40 HGAB Cc1cc(-c2snnc2[C@@H]2CCCN(C(=O)CCn3nc(C)cc3C)C2)on1 19573844 HCXQMYZTUAUWGD-OAHLLOKOSA-N 400.508 3.111 0 40 HGAB CNC(=O)[C@]1(Cc2ccc(-c3cccnc3)cc2)CN(Cc2cccc(F)c2)CCO1 19591905 MAMPYZYMLKABQL-VWLOTQADSA-N 419.500 3.447 0 40 HGAB COc1ccc(-c2cc(C)nc([C@H]3CCCN3S(=O)(=O)c3cn(C)cn3)c2)cc1 19690752 JJJWZVZFLFWSQE-HXUWFJFHSA-N 412.515 3.325 0 40 HGAB CC(C)(C(=O)NCc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cccc(F)c1 19718524 XCWKIFIHRVAMNC-UHFFFAOYSA-N 404.507 3.204 0 40 HGAB Cc1cc(NC(=O)Cn2cccc(C(=O)N[C@@H](C)c3ccc(C(C)C)cc3)c2=O)no1 19750185 MZDJGATUEFVOBQ-INIZCTEOSA-N 422.485 3.398 0 40 HGAB COC(=O)c1ccc(NC(=O)c2nnn(-c3ccc(OC(F)F)cc3)c2C)cc1 19911326 ANLNWZLMRGHJGL-UHFFFAOYSA-N 402.357 3.216 0 40 HGAB COc1ccc(NC(=O)c2ccccc2N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)c(OC)c1 165718811 XMONYLZSVZIQMT-MFRYECHYSA-N 420.465 3.492 0 40 HGAB Cc1ccc(N2C(=O)/C(=C/c3ccc4c(c3)OCO4)N=C2S[C@H](C)C(N)=O)cc1 4515991 GCZRKBOEMWVXNW-WPBJZHHJSA-N 409.467 3.074 0 40 HGAB COc1ccc(CN2C[C@@H]3CCCN3C[C@H]2CCSC)cc1Cn1cccn1 19559458 XKLJIONLFSTDQT-LEWJYISDSA-N 400.592 3.342 0 40 HGAB Cc1nc2ccccc2c(=O)n1CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 19715243 NUPFCFJELFIWJX-FQEVSTJZSA-N 419.481 3.230 0 40 HGAB COc1ccc(C(=O)N2CCC[C@@]3(C2)NC(=O)N(Cc2ccc(C)cc2C)C3=O)cc1 1888916671 QFRDEQQKIJKVPV-DEOSSOPVSA-N 421.497 3.039 0 40 HGAB Cc1cccc(OC[C@@]2(O)COCCN(C[C@]3(O)CC[C@@H](C(C)(C)C)CC3)C2)c1 2037949785 NBMNHQPHMCQGTD-ZTCOLXNVSA-N 405.579 3.405 0 40 HGAB O=C(Cn1cnc2ccccc21)N1CC[C@@H]2CN(c3cc(C(F)(F)F)ccn3)C[C@H]21 2087162961 HKTKSDWALXBEIN-RDTXWAMCSA-N 415.419 3.187 0 40 HGAB O=c1[nH]nc(-c2cccs2)c2c1Nc1nnnn1[C@@H]2c1ccc(Cl)cc1Cl 10297764 JQRBHVIPWBJKGL-CQSZACIVSA-N 418.269 3.486 0 40 HGAB CCOC(=O)c1c(SCC(=O)Nc2cc(Cl)ccc2Cl)nc(=O)[nH]c1C 15883386 KRJWGCXQBADPDO-UHFFFAOYSA-N 416.286 3.293 0 40 HGAB Cn1c(=O)c2sccc2n2c(SCc3ccc(N4CCCC4=O)cc3)nnc12 35529222 CWGMBMXGLYFBFM-UHFFFAOYSA-N 411.512 3.062 0 40 HGAB COC(=O)[C@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)Cc1c(F)cccc1Cl 206801017 VEVRKPAPLYXBLO-SJKOYZFVSA-N 409.816 3.382 0 40 HGAB O=C1CN(C(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)c2ccccc2N1 40161075 XCSIPTJOWZCUCG-UHFFFAOYSA-N 410.433 3.044 0 40 HGAB CCc1ccc(N2CCN(S(=O)(=O)c3cc(OC)c(Cl)cc3OC)CC2)cc1 1421226 MOADGHRZFHNBHV-UHFFFAOYSA-N 424.950 3.431 0 40 HGAB COC(=O)c1ccc(Nc2cc3n(c(=O)n2)CCc2cc(OC)c(OC)cc2-3)cc1 2109268 ALUTZOPMFWCTSC-UHFFFAOYSA-N 407.426 3.014 0 40 HGAB biogenic COc1ccc(C(=O)CSc2nnc(C[C@@H](C)c3ccccc3)n2N)c(OC)c1 2651482 QWEMEAKWVWHVHR-CQSZACIVSA-N 412.515 3.330 0 40 HGAB COc1ccc(-c2nsc(SCC(=O)NCc3ccc4c(c3)OCO4)n2)cc1 3007387 IXHPVXZINVMUPW-UHFFFAOYSA-N 415.496 3.351 0 40 HGAB O=C1CN(C(=O)CSc2nnc(-c3ccccc3F)n2C2CC2)c2ccccc2N1 3376043 PLUVYMLDDMRABX-UHFFFAOYSA-N 423.473 3.497 0 40 HGAB COC(=O)c1ccc(COC(=O)[C@H]2Cc3ccccc3CN2C(=O)c2ccco2)cc1 3377424 KARMUHMYBCUXFF-HXUWFJFHSA-N 419.433 3.377 0 40 HGAB Cc1cc(I)ccc1NC(=O)COC(=O)c1ccc(C=O)cc1 3386980 NUOFYVNMJXXNSU-UHFFFAOYSA-N 423.206 3.208 0 40 HGAB Nc1cc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)ccc1N1CCOCC1 3885397 MWXMCPKBDFXORT-UHFFFAOYSA-N 402.303 3.213 0 40 HGAB COc1ccc([C@H]2CC(c3ccc(OC)c(OC)c3)=NN2C(=O)CCC(=O)O)cc1 4194581 CKULKANOCVZWHY-GOSISDBHSA-N 412.442 3.255 0 40 HGAB CC[C@H](c1nnc(S[C@@H](C)C(=O)N2CCCC2)n1Cc1ccccc1)N(C)C 4494506 OXQFZWUCANOXEM-FUHWJXTLSA-N 401.580 3.442 0 40 HGAB C[C@@]1(c2ccc3c(c2)OCO3)NC(=O)N(Cc2cccc(Br)c2)C1=O 4788019 FGYBQZNZVFKIIT-SFHVURJKSA-N 403.232 3.145 0 40 HGAB O=C(Cn1cnc2c(nnn2-c2ccc(Cl)cc2)c1=O)c1ccc(Cl)cc1 5056805 QDJUIKHTTDYDEM-UHFFFAOYSA-N 400.225 3.167 0 40 HGAB CCCCOC(=O)c1ccc(NC(=O)COn2nnc3ccc(Cl)cc32)cc1 5458317 HATOULOMNFLEQT-UHFFFAOYSA-N 402.838 3.109 0 40 HGAB C[C@@H](Sc1nnc(-c2ccc(F)cc2)n1N)C(=O)N[C@@H]1CCCc2ccccc21 6532644 ZRSLGEPNQQDJJD-FZKQIMNGSA-N 411.506 3.472 0 40 HGAB COc1ccc(Cn2c(=O)c3cccnc3n(Cc3ccc(Cl)cc3)c2=O)cc1 6805129 HRVFACDCTCFTDU-UHFFFAOYSA-N 407.857 3.317 0 40 HGAB Cc1cccc(NC(=O)c2ccccc2NC(=O)CN2C(=O)NC3(CCCC3)C2=O)c1 7287909 FNULWQFTDVMLGO-UHFFFAOYSA-N 420.469 3.050 0 40 HGAB COc1ccc(OC)c(S(=O)(=O)NNc2ncc(C(F)(F)F)cc2Cl)c1 7428417 FCXYFHWRNYMKFQ-UHFFFAOYSA-N 411.789 3.076 0 40 HGAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1cc2c(s1)CC[C@@H](C)C2 7723385 SXBACXCIKNSQCD-GFCCVEGCSA-N 408.545 3.384 0 40 HGAB O=C(Nc1ccc(Cl)cc1F)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 8078637 GUHPBHXLIHFLHR-AWEZNQCLSA-N 412.870 3.189 0 40 HGAB O=C(c1ccccn1)N1CCN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1 8164301 WGJOVWISTPRRMR-UHFFFAOYSA-N 413.543 3.276 0 40 HGAB CCCNC(=O)[C@H]1CN(S(=O)(=O)c2ccc3c(c2)CCCC3)c2ccccc2O1 8167658 QSGCRCUKDCURFT-OAQYLSRUSA-N 414.527 3.048 0 40 HGAB CC(=O)NC1=NN(C(C)=O)[C@@]2(S1)C(=O)N(Cc1ccc(C)cc1)c1c(C)cccc12 8843710 WQOJXKGMFWOWHN-QFIPXVFZSA-N 422.510 3.005 0 40 HGAB CC(=O)Nc1ccc(NC(=O)CSc2nc(CC(=O)NCC(C)C)cs2)cc1 8850388 FCWOMYWOPBUGNU-UHFFFAOYSA-N 420.560 3.147 0 40 HGAB Cc1cccc(C)c1NC(=O)CNC(=O)COc1ccc(F)cc1Br 9114001 WUODGNKQHLLQDJ-UHFFFAOYSA-N 409.255 3.339 0 40 HGAB CC1=Nc2ccccc2N=C(NC(=O)CSc2nnnn2C)[C@@H]1c1ccccc1 9183778 NQZOSAZJRPWYLP-SFHVURJKSA-N 405.487 3.038 0 40 HGAB COC(=O)c1ccsc1NC(=O)c1ccc(S(=O)(=O)N2CCC(C)CC2)cc1 9384122 NAFVJSOISRLLQK-UHFFFAOYSA-N 422.528 3.208 0 40 HGAB CC(=O)Nc1nc(SCc2ccc(F)cc2)[nH]c(=O)c1NC(=O)c1cccs1 9518286 HKFGFZQKWMQVAO-UHFFFAOYSA-N 418.475 3.474 0 40 HGAB CCn1cc(C(=O)Nc2ccc(NC(C)=O)cc2)c2nn(-c3ccccc3)c(=O)c-2c1 9661483 BKOWVFORTXOYQH-UHFFFAOYSA-N 415.453 3.369 0 40 HGAB COc1cc(NC(=O)CSc2nccn(-c3cccc(F)c3)c2=O)cc(OC)c1 10272992 XHWWZABVLZGKIH-UHFFFAOYSA-N 415.446 3.120 0 40 HGAB C[C@H](NC(=O)NCc1ccccc1S(=O)(=O)N(C)C)c1cc2ccccc2o1 10589162 GEIORJDPLIKGAE-AWEZNQCLSA-N 401.488 3.244 0 40 HGAB O=C(COC(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O)NCCc1cccs1 11157296 DZAAZXWJPHCDAY-HNNXBMFYSA-N 424.931 3.107 0 40 HGAB COc1ccccc1CCNC(=O)c1cc(=O)c(OCc2ccc(F)cc2)cn1C 12166447 WKDHTTODMRVKHD-UHFFFAOYSA-N 410.445 3.085 0 40 HGAB Cc1cnc(-c2nc(C3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)no2)cn1 12187407 BSJDKRMXEJKUIU-UHFFFAOYSA-N 419.894 3.057 0 40 HGAB CC(=O)N1CCCc2cc([C@H](O)CN3CCC(O)(c4ccccc4C)CC3)ccc21 12291267 FTTDSNGRVQEZMV-XMMPIXPASA-N 408.542 3.311 0 40 HGAB Cc1cc(N2CCN(C)CC2)ccc1NC(=O)[C@H]1CCCN1C(=O)c1cccs1 12542111 YCHDPIOGZBQRQP-LJQANCHMSA-N 412.559 3.052 0 40 HGAB CC(=O)Nc1ccc(-c2csc(NC(=O)CCN3CCSC3=O)n2)c(F)c1 12734440 ACAZOLJVMQXZBI-UHFFFAOYSA-N 408.480 3.405 0 40 HGAB CC(C)[C@@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)OCCOc1ccccc1F 12817147 XGLZPOJBGILCMN-IZLCOFNUSA-N 421.490 3.363 0 40 HGAB C[C@H]1C(=O)N(C[C@H](O)COc2ccc(Br)cc2)C(=O)N1c1ccccc1 12845997 HZNVWPPGXNKQSD-BBRMVZONSA-N 419.275 3.046 0 40 HGAB Cc1cc(C)c(C)c(S(=O)(=O)N(CC(=O)NC2CC2)Cc2ccccc2)c1C 12950081 JPMGLMNAQLAEHI-UHFFFAOYSA-N 400.544 3.390 0 40 HGAB NC(=O)c1cc2ccccc2nc1C1CCN(C(=O)CCCc2ccncc2)CC1 13267601 FCUPSKMUYQDZJY-UHFFFAOYSA-N 402.498 3.458 0 40 HGAB CC[C@@H](C(=O)Nc1ccc(C(=O)OC)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O 13714257 NWTNCEGXHBJZBI-KRWDZBQOSA-N 424.906 3.310 0 40 HGAB COc1cc(CN(C)Cn2nc(-c3ccc(F)cc3)oc2=O)ccc1OC(F)F 14231929 OQQIFPUJTXGTED-UHFFFAOYSA-N 409.364 3.342 0 40 HGAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 14401860 QNQUJPJHHVGADO-GHTZIAJQSA-N 412.486 3.400 0 40 HGAB O=C1[C@H]2ON=C(c3ccccc3Cl)[C@@H]2C(=O)N1c1ccc(Br)cc1 16001353 KJXVBINEFMPFBK-ZFWWWQNUSA-N 405.635 3.395 0 40 HGAB Cc1nccn1CCC(=O)NCCn1nc(-c2ccc(F)cc2)cc1-c1cccnc1 19288062 DMYNAFRBCILFJC-UHFFFAOYSA-N 418.476 3.463 0 40 HGAB Cc1nnnn1-c1cccc(C(=O)Nc2ccc(CCC3CCN(C)CC3)cc2)c1 19288463 LOKVOSCGDCCUFC-UHFFFAOYSA-N 404.518 3.497 0 40 HGAB Cc1ncsc1-c1cc(CN2CCC(NC(=O)Cc3ccccc3)CC2)n(C)n1 19562479 ZWAFIOHLHCIZSQ-UHFFFAOYSA-N 409.559 3.175 0 40 HGAB CCN(CC)[C@H]1C[C@@H](c2ccccc2NC(=O)c2nonc2N)O[C@@H](C(C)C)C1 19712199 BCQYKTSMQPROGX-OLMNPRSZSA-N 401.511 3.491 0 40 HGAB O=C(NCC1(c2ccccc2)CCCC1)c1ccc(=O)n(CC(=O)N2CCCCC2)c1 19750936 HCCXMCHCQWUCMQ-UHFFFAOYSA-N 421.541 3.103 0 40 HGAB CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)CN1CCN(CC)CC1 19790456 BMIJDQJIHIMKEW-UHFFFAOYSA-N 415.559 3.476 0 40 HGAB COc1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccccc3C)C2)c1 19857796 JFDSKYIQGFOTOH-KRWDZBQOSA-N 402.516 3.184 0 40 HGAB O=S(=O)(NCCc1csc(-c2ccncc2)n1)c1ccc(Br)cc1 19942553 LPNYDIAVVZOFGZ-UHFFFAOYSA-N 424.345 3.489 0 40 HGAB CCOC(=O)c1ccccc1NC(=O)CN(c1ccccc1C(C)C)S(C)(=O)=O 22381816 GHAMVGJKAYNYMQ-UHFFFAOYSA-N 418.515 3.391 0 40 HGAB COC(=O)c1cn(CC(=O)N(C)[C@@H](C)c2ccc(-n3cncn3)cc2)c2ccccc12 24331887 WFWYSTVUGZJODP-INIZCTEOSA-N 417.469 3.228 0 40 HGAB O=C(NCc1ccccc1)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1 24608383 IKPZECGQYVRQCO-UHFFFAOYSA-N 406.935 3.198 0 40 HGAB Cc1cccc(CS(=O)(=O)N2CCC(C(=O)Nc3ccc(F)cc3F)CC2)c1 24612149 QLYYLNGFFXXPRJ-UHFFFAOYSA-N 408.470 3.454 0 40 HGAB Cn1nc(C(=O)NC[C@H](c2ccccc2Cl)c2c[nH]c3ccccc23)ccc1=O 25180476 NSRHAKAHALBUEY-MRXNPFEDSA-N 406.873 3.477 0 40 HGAB COCCNC(=O)CSc1ccccc1C(=O)N(C)Cc1ccc(C)cc1C 25599650 UDAZEWCLAYUBSH-UHFFFAOYSA-N 400.544 3.430 0 40 HGAB Cc1[nH]c(C(=O)N2CCC(NC(=O)c3ccccc3)CC2)c(C)c1C(=O)OC(C)C 26060034 YHUPXQJJKIIXOM-UHFFFAOYSA-N 411.502 3.231 0 40 HGAB O=C(c1ccccc1C(F)(F)F)N1CCN(Cc2nc(-c3ccco3)no2)CC1 26610723 KGJJELWMAQLEPD-UHFFFAOYSA-N 406.364 3.306 0 40 HGAB C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)NC1CCN(CCc2ccccc2)CC1 27934213 BWZQWTBEVRONAW-LJQANCHMSA-N 403.526 3.325 0 40 HGAB C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)CSCc1ccc(Cl)cc1 28314373 JIMRVJAYHSZGCL-CYBMUJFWSA-N 412.964 3.440 0 40 HGAB O=C(Oc1ccc(-n2cnnn2)cc1)c1cn(-c2ccccc2)nc1-c1cccnc1 29955653 VJNZBFUPSIPHKV-UHFFFAOYSA-N 409.409 3.129 0 40 HGAB COC(=O)c1ccc(C)c(S(=O)(=O)N(C)Cc2nc3ccccc3n2C(F)F)c1 29973733 DYSFLQNEYLCQRZ-UHFFFAOYSA-N 423.441 3.347 0 40 HGAB CCS(=O)(=O)N1C[C@H](C(=O)N[C@@H](C)c2ccc(C)cc2C)Oc2ccccc21 30861967 PLPXYVDMQMXNDE-OXJNMPFZSA-N 402.516 3.098 0 40 HGAB Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)N1CCC[C@@H]1c1cccnc1 31942475 PIYJBBGBNXTGKT-MRXNPFEDSA-N 418.423 3.451 0 40 HGAB CC(C)[C@@H](NC(=O)c1ccc(F)cc1)C(=O)NCCCN1CCc2ccccc2C1 32399032 LQSSUHLMADYJJS-JOCHJYFZSA-N 411.521 3.145 0 40 HGAB Cc1ccc(N2C(SCCOc3ccccc3)=N[C@@H]3CS(=O)(=O)C[C@H]32)cc1C 32640627 MRBFRXGEWPVJCO-WOJBJXKFSA-N 416.568 3.457 0 40 HGAB COc1ccc([C@@H](NC(=O)NCCCc2nc3ccccc3[nH]2)c2nccn2C)cc1 32809206 YXAKYYRIBKVTSQ-OAQYLSRUSA-N 418.501 3.326 0 40 HGAB O=C1CCc2cc(OCC(=O)N3CCC[C@@H]3c3ccc4c(c3)OCCCO4)ccc2N1 32906396 JZXWQUPKAFTGSI-HXUWFJFHSA-N 422.481 3.475 0 40 HGAB O=C1C[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(OC(F)F)c(Cc2ccccc2)c1 32912747 VWGSRQVXKWYZON-WBVHZDCISA-N 407.438 3.029 0 40 HGAB COCCCNC(=O)c1cccc(S(=O)(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)c1 34799579 FMEMDTLASPXBPG-DYESRHJHSA-N 408.564 3.042 0 40 HGAB COc1cccc(-c2nc(CC(=O)NCc3ccc(C(=O)O)cc3)cs2)c1OC 36353966 ROVAONLZXKNSNU-UHFFFAOYSA-N 412.467 3.384 0 40 HGAB Cc1ccc2c(c1)c(=O)n(C)c1nnc(CSc3nnc(-c4ccccc4)o3)n21 40114203 RLAPCUIVSOPYHO-UHFFFAOYSA-N 404.455 3.232 0 40 HGAB C[C@]1(c2cccc(C(F)(F)F)c2)NC(=O)N(CC(=O)N2CCc3ccccc32)C1=O 40116870 CAXSCIRUSFDXEL-HXUWFJFHSA-N 417.387 3.062 0 40 HGAB O=C(O)c1ccccc1NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc2c(c1)OCO2 40312433 TYZDGXBLKTYUEW-IBGZPJMESA-N 406.398 3.016 0 40 HGAB biogenic CCc1ccccc1N(CC(=O)NCc1ccccn1)S(=O)(=O)c1ccccc1 44792254 VGOBLKZUSBDJSH-UHFFFAOYSA-N 409.511 3.156 0 40 HGAB CCOC(=O)c1ccc(NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)c(Cl)c1 44901999 MYYQYNVTAWODKD-UHFFFAOYSA-N 410.879 3.165 0 40 HGAB COc1ccc(CN(C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c(OC)c1 48368056 AAJUDZCMTLPDPO-UHFFFAOYSA-N 410.474 3.166 0 40 HGAB O=C(CN1CCN(C(=O)c2cccc(-n3cccc3)c2)CC1)Nc1cccc(F)c1 57318485 ZNXHTFPSKCBACV-UHFFFAOYSA-N 406.461 3.013 0 40 HGAB CCOc1ccccc1N1CCN(Cn2nc(-c3ccncc3)n(C)c2=S)CC1 58159157 YWYJWUUVPPKGQD-UHFFFAOYSA-N 410.547 3.191 0 40 HGAB COC(=O)CCOc1ccc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)cc1 58179039 WAPCRADNIAUBRG-UHFFFAOYSA-N 417.527 3.272 0 40 HGAB Cc1cc(C)c(NC(=O)[C@@H]2CCN(S(C)(=O)=O)c3cc(C)ccc3O2)c(C)c1 64988648 OFSPGFPUZRFAFQ-IBGZPJMESA-N 402.516 3.476 0 40 HGAB Cc1ccc(NC(=O)Cn2ccn(-c3cc(F)ccc3C)c(=O)c2=O)c(Cl)c1 67320300 DMMLGVRWBOYWME-UHFFFAOYSA-N 401.825 3.047 0 40 HGAB O=C1CN(c2ccc(NC(=O)[C@H]3C[C@H]3c3cccc(Br)c3)cc2)CCN1 71846775 MNXSPOAQKPKDGR-ROUUACIJSA-N 414.303 3.128 0 40 HGAB CON(C)S(=O)(=O)c1cc(NC(=O)[C@H](C)Oc2ccc(C)cc2)ccc1Cl 72305118 WLPYYDYSZAQSQQ-ZDUSSCGKSA-N 412.895 3.236 0 40 HGAB Cc1cc(Nc2cccc(C3CCN(S(=O)(=O)c4c(C)n[nH]c4C)CC3)n2)no1 72376188 IURVWXHVPJCMRT-UHFFFAOYSA-N 416.507 3.030 0 40 HGAB CC[C@@H](C(=O)N1CC(c2nc(-c3cccc(C(=O)NC)c3)no2)C1)c1ccccc1 77191175 KRGRZCNYSMQMLQ-LJQANCHMSA-N 404.470 3.216 0 40 HGAB CCC[C@@H](NS(=O)(=O)c1ccc(OC(F)(F)F)cc1)c1nnc2ccccn12 79048685 QELQXOSKIUYIQC-CQSZACIVSA-N 414.409 3.448 0 40 HGAB CC(C)[C@@H](NC(=O)N1CCN(c2ccc(Cl)cc2)CC1)C(=O)NCc1ccco1 80329663 MUASKOJJFBMPQZ-LJQANCHMSA-N 418.925 3.106 0 40 HGAB O=C([C@H](NCc1ccccc1CN1CCOCC1)c1ccccc1)N1CCCCC1 84519413 CRYPOTPDKSABGQ-XMMPIXPASA-N 407.558 3.362 0 40 HGAB CCN(CC)Cc1ccc(CNC(=O)C(=O)Nc2cc(C)nn2-c2ccccc2)cc1 89968997 NHQFWTUDCVZJLM-UHFFFAOYSA-N 419.529 3.277 0 40 HGAB O=S(=O)(c1cccnc1)N1CC(Oc2nc3c(C(F)(F)F)cccc3s2)C1 90594382 ALMSQWSQLMFUGY-UHFFFAOYSA-N 415.418 3.162 0 40 HGAB O=C(NCCc1ccc(OCCN2CCCC2)cc1)c1ccn(-c2cccc(F)c2)n1 95460110 VIOQZSPTSMUXTD-UHFFFAOYSA-N 422.504 3.459 0 40 HGAB C[C@H](C(=O)Nc1cccc(NC(=O)c2ccco2)c1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 102708715 CPCCSNBQINACSN-XYPHTWIQSA-N 409.442 3.034 0 40 HGAB CC(C)OC(=O)[C@H]1C(=O)C[C@@](C)(O)[C@H](C(=O)OC(C)C)[C@@H]1/C=C/c1ccccc1 105189863 WAWRHMOJAIJNCG-UFVPASARSA-N 402.487 3.175 0 40 HGAB CSc1cccc(N(CC(=O)NCCSc2ccccc2)S(C)(=O)=O)c1 220062136 DSXKYRDSLURDDV-UHFFFAOYSA-N 410.586 3.083 0 40 HGAB Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)Nc3ccc(F)cc3F)s2)cc1 222734566 JUGDTCKBIFZIIN-UHFFFAOYSA-N 410.427 3.178 0 40 HGAB COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(OC3CCCC3)cc2)cc1 222940294 VNWOXLWDTNGKBR-UHFFFAOYSA-N 418.515 3.276 0 40 HGAB Cc1cccc(CCCNC(=O)CN(Cc2ccccc2Cl)S(C)(=O)=O)c1 223299335 IOXCRTLZWWVKLF-UHFFFAOYSA-N 408.951 3.159 0 40 HGAB Cc1cccc(N(C)S(=O)(=O)c2cccc(C(=O)N(C)[C@@H]3CCCC[C@H]3O)c2)c1 224142193 VZYPAHSMTNXQSN-NHCUHLMSSA-N 416.543 3.196 0 40 HGAB COc1ccc(S(=O)(=O)NCC2=CCCCC2)cc1C(=O)N1CCC(C)CC1 224163944 QHJUCJTWJKBZKZ-UHFFFAOYSA-N 406.548 3.346 0 40 HGAB COc1cccc(NC(=O)Nc2cnc(N3CCN(c4ccccc4)CC3)nc2)c1 224267878 TUUWWSXTRDGVKR-UHFFFAOYSA-N 404.474 3.456 0 40 HGAB COc1cccc(NS(=O)(=O)c2nnc(NC(=O)c3ccccc3Cl)s2)c1 224590331 ULWRKKQWZKOZRS-UHFFFAOYSA-N 424.891 3.253 0 40 HGAB CNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)COc1cccc(C)c1 225468776 AIOKBNWNOATHLV-OAHLLOKOSA-N 419.319 3.300 0 40 HGAB CCOC(=O)c1cccc(NC(=S)NCc2ccc(OC)c(OC)c2OC)c1 225526709 VCRIHROQDBAAPH-UHFFFAOYSA-N 404.488 3.376 0 40 HGAB CCN1CCN(c2ccc(NC(=O)c3ccc(Br)cc3)cc2N)CC1 226263502 NWJKZBMVEWHUBH-UHFFFAOYSA-N 403.324 3.426 0 40 HGAB O=C(CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)Nc1ccccc1CN1CCCCC1 247767487 LZEUPNHNWZKZBX-PEYKTXOXSA-N 409.530 3.032 0 40 HGAB CCn1c(SCC(=O)N[C@H]2C[C@H]3CC[C@H]2C3)nnc1-c1cc(OC)cc(OC)c1 250453550 OBPBGWYAMQWDDH-DEYYWGMASA-N 416.547 3.379 0 40 HGAB Cc1cc(Cc2ccccc2)cc([C@H]2CN(C(=O)CCn3nc(C)nc3C)CCO2)n1 257238049 HJJIOGKBEIOFHD-HSZRJFAPSA-N 419.529 3.179 0 40 HGAB COc1ccc(Cl)cc1N([C@@H](C)C(=O)N[C@@H](C)c1ccccc1)S(C)(=O)=O 408557391 NCZVVDFKBLVKFD-KBPBESRZSA-N 410.923 3.381 0 40 HGAB CCOc1ccc(N([C@@H](C)C(=O)Nc2cccc(C(C)=O)c2)S(C)(=O)=O)cc1 409028212 JCYCSAVSEBYDCP-AWEZNQCLSA-N 404.488 3.081 0 40 HGAB CCOc1ccc2ccccc2c1/C=C1\SC(=O)N(CC(=O)NCCOC)C1=O 409201453 NAWOOAHZKCWDCK-PDGQHHTCSA-N 414.483 3.037 0 40 HGAB CS(=O)(=O)N(CC(=O)Nc1c(F)cccc1F)c1ccccc1Br 409263998 IZKYGDAKEDEYOP-UHFFFAOYSA-N 419.247 3.132 0 40 HGAB COc1cc2c(cc1OC)[C@@H](NC(=O)Cn1ccc3c(NC(C)=O)cccc31)CC2 524733366 LVLGTUMIFKWNKK-IBGZPJMESA-N 407.470 3.421 0 40 HGAB Cc1cnc(N2CCN(c3ccc(CN(C)C)cn3)CC2)nc1-c1ccccc1F 549122482 YDEUUCXCPQPFJC-UHFFFAOYSA-N 406.509 3.374 0 40 HGAB Cc1cnc(Nc2cccc([C@]3(CO)CN(C(=O)OC(C)(C)C)CCO3)n2)s1 585262541 DLKXWIPDNKJYPN-LJQANCHMSA-N 406.508 3.045 0 40 HGAB Cc1cc(C)nc(Nc2nccnc2C2CCN(C(=O)/C=C/c3ccccc3)CC2)n1 585292726 RWUUUTAHFHWEOC-CMDGGOBGSA-N 414.513 4.046 0 40 HGAB CN1CCC(CNC(=O)NC2CCN(Cc3cccc(C(F)(F)F)c3)CC2)CC1 591570041 SNKQKVWUKFWACC-UHFFFAOYSA-N 412.500 3.311 0 40 HGAB Cc1ccc(Cl)cc1N1CC[C@@H](CNS(=O)(=O)c2c[nH]c3ncccc23)C1 604055829 RDOBMIGVULSAOE-AWEZNQCLSA-N 404.923 3.330 0 40 HGAB Cc1cc(C)n(-c2ccc(=O)n(C3CCN(c4ccc5ccccc5n4)CC3)n2)n1 1775969652 FBIJIVAVZRCDMF-UHFFFAOYSA-N 400.486 3.436 0 40 HGAB Cc1cnc(OC[C@@H]2CCCN(C(=O)Cc3ccccc3Br)C2)nc1 1776000905 PFUCTQDVLGDPFM-OAHLLOKOSA-N 404.308 3.408 0 40 HGAB COc1cc(OC)cc(C(=O)Nc2nnc(-c3ccc(OC)cc3OC)s2)c1 3227465 XGUHULOLICQHJV-UHFFFAOYSA-N 401.444 3.492 0 40 HGAB O=C(OCn1nnc2ccccc2c1=O)c1c2c(nc3ccccc13)CCCCC2 3520050 NORTVRUBPFKJKT-UHFFFAOYSA-N 400.438 3.423 0 40 HGAB COc1ccc(-n2nnc3c(SCC(=O)OCc4ccccc4)ncnc32)cc1 4103985 CJSZUDPNZCJWQO-UHFFFAOYSA-N 407.455 3.055 0 40 HGAB CC1(C)O[C@@H]2O[C@@H](C(=O)Oc3cccc4ccccc34)[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O1 4303766 NHZBMHKKEJZBSF-LYYGHALDSA-N 400.427 3.142 0 40 HGAB Cc1ccc(Cc2nn3c(=O)/c(=C/c4cccc5ccccc45)sc3nc2=O)cc1 5006457 DCNBOAIKMPHCHT-STZFKDTASA-N 411.486 3.111 0 40 HGAB CC(C)(C)c1ccc(OCc2ccc(C(=O)OCC(=O)N3CCNC3=O)cc2)cc1 5987656 MJUQQWWGAXNYAG-UHFFFAOYSA-N 410.470 3.272 0 40 HGAB COc1cccc(C(=O)NCC(=O)OCC(=O)Nc2ccccc2-c2ccccc2)c1 6104658 XXBYKZIXFDLPGO-UHFFFAOYSA-N 418.449 3.274 0 40 HGAB O=C(O)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 6173020 BIHVMZNFXGVWOF-UHFFFAOYSA-N 422.890 3.078 0 40 HGAB COc1ccc(CC(=O)Nc2cccc(S(=O)(=O)N3CCCCCC3)c2)cc1 6552115 NALUBOCBEOVKNW-UHFFFAOYSA-N 402.516 3.441 0 40 HGAB C[C@@H]1CCC[C@@H](NC(=O)NC(=O)CSc2nnnn2-c2ccc(Cl)cc2)[C@@H]1C 6787535 IKIMOJPKUURAHF-LALPHHSUSA-N 422.942 3.058 0 40 HGAB O=C1O[C@@H](C(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)Cc2ccccc21 6879415 ZHRRIPRHYUMIGI-LJQANCHMSA-N 402.454 3.392 0 40 HGAB CCN(CC)S(=O)(=O)c1cc(NC(=O)c2[nH]c(C)c(C(=O)OC)c2C)ccc1C 7060578 LZBVECKJINHZGT-UHFFFAOYSA-N 421.519 3.009 0 40 HGAB C[C@@H](NC(=O)CCS(=O)(=O)c1ccc(F)cc1)c1ccc(-n2ccnc2)cc1 8229658 APNNHSSZAHMUPV-OAHLLOKOSA-N 401.463 3.053 0 40 HGAB COc1ccc(C(=O)N2CCC[C@@H]3CCCC[C@@H]32)cc1S(=O)(=O)N1CCCC1 8270200 ADCOSJWDCJCWLZ-WMZOPIPTSA-N 406.548 3.275 0 40 HGAB CC(C)C[C@@H](C(=O)OCc1nnc(-c2ccccc2)o1)N1C(=O)c2ccccc2C1=O 8283483 PSKAHEUAJHIQFJ-SFHVURJKSA-N 419.437 3.491 0 40 HGAB CN(C(=O)CSc1nnnn1C1CC1)[C@]1(c2ccccc2Cl)CCCCC1=O 8312163 IFKQEQQIPHCFBJ-IBGZPJMESA-N 419.938 3.251 0 40 HGAB Cc1cc(C)c(NC(=O)COc2ccc(S(=O)(=O)N3CCCC3)cc2)c(C)c1 8333369 YJMVLCGSZJBARM-UHFFFAOYSA-N 402.516 3.414 0 40 HGAB Cc1ccc(C)n1NC(=O)c1cccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)c1 8475607 OYHFGZLFSNMYAT-LJQANCHMSA-N 416.481 3.480 0 40 HGAB O=C(NCCc1nnc2c(C(F)(F)F)cc(Cl)cn12)c1ccc2c(c1)OCO2 9130479 JESKHJDOLQPONP-UHFFFAOYSA-N 412.755 3.103 0 40 HGAB Cc1ccccc1NS(=O)(=O)c1cc(C(=O)NCCCn2ccnc2)ccc1C 9356306 PXVLDGWXJMEDTB-UHFFFAOYSA-N 412.515 3.121 0 40 HGAB O=C(COc1ccc(Cl)cc1Cl)NCCSc1nnnn1-c1ccccc1 9431214 ZDIURWCPRWTGME-UHFFFAOYSA-N 424.313 3.256 0 40 HGAB Oc1ccc(-n2nnnc2SCc2cc3c(cc2Br)OCCO3)cc1 9882521 MKXHVQIWZWKFOA-UHFFFAOYSA-N 421.276 3.194 0 40 HGAB Cc1cc(S(=O)(=O)N(C)C)cc(NC(=O)CN2CCC[C@@H]2c2ccccc2)c1C 10340839 RLFKQWDHYBJPOT-OAQYLSRUSA-N 415.559 3.329 0 40 HGAB CCOC(=O)c1cccc(NC(=O)[C@H](C)N(c2ccc(C)cc2)S(C)(=O)=O)c1C 10443149 DDVIBSOGKDDACN-INIZCTEOSA-N 418.515 3.273 0 40 HGAB COc1ccc(NS(=O)(=O)c2cccc(C(=O)N[C@H](C)c3ccccn3)c2)cc1 10556756 JVQKOHVEWGSXLK-OAHLLOKOSA-N 411.483 3.382 0 40 HGAB Cc1c(NC(=O)c2cc(Br)ccc2O)c(=O)n(-c2ccccc2)n1C 12031423 SDCPZBUPFLFLRR-UHFFFAOYSA-N 402.248 3.205 0 40 HGAB CCCSc1nnc(NC(=O)c2nn(-c3cccc(Cl)c3)ccc2=O)s1 12111646 PZSMQMFJDIHPKB-UHFFFAOYSA-N 407.908 3.492 0 40 HGAB Cn1nc([C@H](Cc2ccccc2)NC(=O)c2ccc3c(c2)OCO3)c2cccnc21 12236036 UNCDBTSQWRGMGE-SFHVURJKSA-N 400.438 3.411 0 40 HGAB O=C(Cn1cnc2c(cnn2-c2cccc(Cl)c2)c1=O)N1CCCc2ccccc21 12237665 RFPQKQUVHHRDBS-UHFFFAOYSA-N 419.872 3.215 0 40 HGAB CCOc1ccccc1NC(=O)Cn1cnc2c(cnn2-c2cccc(Cl)c2)c1=O 12237678 IMCWQAYJRGNNCW-UHFFFAOYSA-N 423.860 3.273 0 40 HGAB CCCCCn1c(=O)c2c(nc3n2C[C@H](C)CN3c2ccc(C)c(C)c2)n(C)c1=O 12374051 PATUXCSMZAKWLR-OAHLLOKOSA-N 409.534 3.492 0 40 HGAB COCCNC(=S)N(CCc1c(C)[nH]c2ccc(OC)cc12)Cc1cccnc1 12514116 PSQIQAQXGWUUMR-UHFFFAOYSA-N 412.559 3.446 0 40 HGAB c1ccc(-c2cn3nc(N4CCN(Cc5cn6ccccc6n5)CC4)sc3n2)cc1 12535832 MZLUHAGDMVQQFT-UHFFFAOYSA-N 415.526 3.428 0 40 HGAB O=S(=O)(Nc1ccc(N2CCOCC2)cc1)c1cccc(OC(F)(F)F)c1 12536278 KMIHXTHZOVSMSE-UHFFFAOYSA-N 402.394 3.223 0 40 HGAB COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NCCCOC(C)C)c1 12604762 SJWNBYFSKMDLCS-UHFFFAOYSA-N 406.504 3.041 0 40 HGAB Cc1nc(CN2CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)cs1 12698254 LUTXVHMYJDRKEE-UHFFFAOYSA-N 406.360 3.265 0 40 HGAB COCCNS(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)-c2ccccc2C3)cc1 12759469 SSLQWUPBALRMQU-UHFFFAOYSA-N 422.506 3.435 0 40 HGAB CN(C)Cc1ccccc1CNC(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CCCC3 12775120 FCFNBABWPMZNQS-UHFFFAOYSA-N 424.570 3.174 0 40 HGAB NC(=O)CSc1ccccc1C(=O)NCc1ccc(COCC(F)(F)F)cc1 12781151 BQDWUQABFQXTLL-UHFFFAOYSA-N 412.433 3.273 0 40 HGAB CCn1c(SCCN2C(=O)CCC2=O)nc2scc(-c3ccccc3)c2c1=O 12982074 OXBSWVZIIRCFKQ-UHFFFAOYSA-N 413.524 3.386 0 40 HGAB O=C(O)[C@@H]1CC=CC[C@H]1C(=O)Nc1ccccc1NS(=O)(=O)c1ccc(F)cc1 13469676 NHWSVAGUASKVBH-HZPDHXFCSA-N 418.446 3.232 0 40 HGAB O=C(Cn1c(=O)n(CCc2ccccc2)c(=O)c2sccc21)Nc1ccc(F)cc1 13533496 XUQRYYNLYVUXKX-UHFFFAOYSA-N 423.469 3.245 0 40 HGAB CCn1ccc(C(=O)N(CCN2CCOCC2)c2nc3c(C)ccc(C)c3s2)n1 13702344 QOEYDKYJVNNAJG-UHFFFAOYSA-N 413.547 3.109 0 40 HGAB COC(=O)[C@@H](CC(C)C)NC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 13720376 YENIVMRLAMCXSE-MRXNPFEDSA-N 401.429 3.125 0 40 HGAB O=C(CSc1nc2[nH]c(=O)cc(O)c2s1)Nc1ccc(Br)cc1 13990388 RTMXRHSSFLMZPM-UHFFFAOYSA-N 412.290 3.184 0 40 HGAB CCS(=O)(=O)N(C)c1ccc(C(=O)Nc2ccccc2C(=O)NC(C)(C)C)cc1 14399046 IADHSESOZMPHCI-UHFFFAOYSA-N 417.531 3.253 0 40 HGAB COc1ccccc1CNC(=O)C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C)cc1 15390879 SISXYHLNFRDFCW-IBGZPJMESA-N 416.543 3.253 0 40 HGAB CCCS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)Cc3ccccc3)cc21 15781439 LJMZMXBMYUFDSM-UHFFFAOYSA-N 408.545 3.121 0 40 HGAB C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)/C=C/c3ccc(F)cc3)cc2)C[C@@H](C)O1 15916497 ZAGLDGFBWXZKAC-QNTPUYCNSA-N 418.490 3.276 0 40 HGAB Cc1ccc(CN2C(=O)NC3(CCN(C(=O)c4c(F)cccc4F)CC3)C2=O)cc1 17041272 HEFCUCFBUFYAJF-UHFFFAOYSA-N 413.424 3.000 0 40 HGAB C[C@H](NC(=O)CSc1nc2ccccc2c(=O)n1Cc1cccnc1)c1ccco1 19185049 OYRFTSOMHOZEFA-HNNXBMFYSA-N 420.494 3.402 0 40 HGAB Cc1sc2ncn(CC3(O)CCN(Cc4cc(F)ccc4F)CC3)c(=O)c2c1C 19561520 YEYAJXZYDYAUBL-UHFFFAOYSA-N 419.497 3.380 0 40 HGAB COc1ccc([C@@H](NC(=O)c2cc3nccc(-c4cnn(C)c4C)n3n2)C2CC2)cc1 19719023 IESFHNPVATXCES-QFIPXVFZSA-N 416.485 3.328 0 40 HGAB COc1ccc(Br)cc1S(=O)(=O)NCCOc1cc(C)cc(C)c1 22496305 FKIPXSHYHIODQU-UHFFFAOYSA-N 414.321 3.432 0 40 HGAB CCc1nc2sc([C@H](c3ccc(Br)cc3)N3CCOCC3)c(O)n2n1 22854200 OTHGIBDVLZJTLS-AWEZNQCLSA-N 423.336 3.243 0 40 HGAB COc1ccc2oc(C(=O)OCC(=O)N3CCN(c4ccccc4)CC3)c(C)c2c1 23074576 FUGJEINTCFIDQJ-UHFFFAOYSA-N 408.454 3.255 0 40 HGAB O=C(NCC1CCN(Cc2ccco2)CC1)C(=O)Nc1ccc(C(F)(F)F)cc1 23127485 RGCZQMCOCLLFLK-UHFFFAOYSA-N 409.408 3.265 0 40 HGAB CCOc1ccc(NC(=O)CCc2ccco2)cc1S(=O)(=O)N1CCCCC1 23228937 TUEFGUPKMUCTBF-UHFFFAOYSA-N 406.504 3.424 0 40 HGAB Cc1nnc(SCC(=O)N(C)CC(=O)Nc2ccccc2C(F)(F)F)s1 23644874 KUMQIGCXKCTFLQ-UHFFFAOYSA-N 404.439 3.055 0 40 HGAB O=C(CN1CCOCC1)Nc1cccc(-c2nc(-c3ccc4c(c3)OCO4)cs2)c1 23936345 CBLQJTIUXYSBJT-UHFFFAOYSA-N 423.494 3.477 0 40 HGAB c1ccn2c(Sc3nc(CN4CCOCC4)nc4sc5c(c34)CCC5)nnc2c1 23983838 BKDYPFCGCMWAEA-UHFFFAOYSA-N 424.555 3.206 0 40 HGAB CCOc1ccc(NCC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 24837070 HCIHXPRJPCTHSX-UHFFFAOYSA-N 417.531 3.311 0 40 HGAB C[C@H](C1CC1)N(C)CC(=O)NCCN1C(=O)S/C(=C\c2ccccc2Cl)C1=O 24984701 ZRXGHGVSJAIWRS-GPLLRDDGSA-N 421.950 3.223 0 40 HGAB O[C@H](CSc1nnnn1C[C@@H]1CCCO1)Cn1c2ccccc2c2ccccc21 25063561 NCTBOYJUEYWCCH-HOTGVXAUSA-N 409.515 3.113 0 40 HGAB COCCNC(=O)[C@H](C)SCc1nc2cc(-c3ccc(F)cc3)sc2c(=O)[nH]1 25689042 CHTLFVGNTTYPAU-NSHDSACASA-N 421.519 3.175 0 40 HGAB O=C([C@@H]1CCCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C1)N1CCCC1 26110369 YOBHEUVRLYRHFU-CYBMUJFWSA-N 405.347 3.158 0 40 HGAB COC(=O)C[C@@H](NC(=O)C[C@H](NC(N)=O)c1ccccc1C)c1ccccc1Cl 30373105 MFGGVQALLZXAHH-ZWKOTPCHSA-N 417.893 3.169 0 40 HGAB CC(=O)N1CCN(C(=O)CCc2c(C)c3cc4c(C)coc4c(C)c3oc2=O)CC1 30819179 VMXUJODJKASADN-UHFFFAOYSA-N 410.470 3.088 0 40 HGAB O=C(CCn1cnc2ccccc2c1=O)Nc1ccc(-n2cnc3ccccc32)nc1 32796684 MBGMPJWHTHFCEQ-UHFFFAOYSA-N 410.437 3.159 0 40 HGAB CCN1C[C@H](CN(C)Cc2nc(N)nc(Nc3ccccc3C)n2)Oc2ccccc21 32797335 CIZRRSKNIIOEKP-KRWDZBQOSA-N 419.533 3.225 0 40 HGAB COc1cc(I)c(Cl)cc1C(=O)N1C[C@H](C)O[C@@H](C)C1 32815599 VYLGSCWUQDGHSM-IUCAKERBSA-N 409.651 3.203 0 40 HGAB CCS(=O)(=O)c1ccc(O)c(NC(=O)CCCc2nc(-c3cccs3)no2)c1 33220825 QZFSZMJLPBPJKF-UHFFFAOYSA-N 421.500 3.259 0 40 HGAB COc1ccc(N([C@@H](C)C(=O)N[C@H]2CCCc3ccccc32)S(C)(=O)=O)cc1 36086288 NEFBBICZJHSSOB-YWZLYKJASA-N 402.516 3.044 0 40 HGAB COc1cccc(CNC(=O)c2nnn(-c3ccc(F)cc3)c2-c2ccncc2)c1 38487897 MXGYGIAMMYSIEM-UHFFFAOYSA-N 403.417 3.407 0 40 HGAB CCN(CC(=O)Nc1cccc(SC)c1)S(=O)(=O)c1cc(F)ccc1OC 39986343 ZBYFNQWZGGCKKS-UHFFFAOYSA-N 412.508 3.206 0 40 HGAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N(C)Cc1ccccc1N1CCOCC1 39995677 UTBUFLYYSLENIT-DEOSSOPVSA-N 419.525 3.446 0 40 HGAB Cc1nc(C(=O)N2CCC[C@@H]2c2nnc3n2CCCCC3)nn1-c1ccc(F)cc1 40080300 DUHXCTGEYSRUCI-QGZVFWFLSA-N 409.469 3.010 0 40 HGAB O=C(NCc1cccc(OCC(F)(F)F)c1)C1CCN(C(=O)c2cccnc2)CC1 40111895 QLQCPLASDXJLAG-UHFFFAOYSA-N 421.419 3.191 0 40 HGAB Cc1cccnc1NC(=O)C1CCN(S(=O)(=O)c2ccc(C)c3ncccc23)CC1 40149816 INGKDQBHKFRIOQ-UHFFFAOYSA-N 424.526 3.286 0 40 HGAB Cc1nn(C)c(C(N)=O)c1NC(=O)c1cc2sccc2n1Cc1ccccc1F 44901035 KVROMBIDKQPTFT-UHFFFAOYSA-N 411.462 3.283 0 40 HGAB COc1ccc(CN(C)C(=O)c2ccc(NS(C)(=O)=O)cc2Cl)cc1OC 44949691 UADXQQGFDMRJOU-UHFFFAOYSA-N 412.895 3.001 0 40 HGAB CC(=O)N1CCc2cc(C(=O)N[C@H]3CC4(CCN(C)CC4)Oc4ccccc43)ccc21 48326416 SLHQNVWTHTYKHY-NRFANRHFSA-N 419.525 3.314 0 40 HGAB COCCn1ncc2ccc(NC(=O)CNC(=O)Cc3cccc4ccccc34)cc21 48364491 FJMGNUFMYYNOPL-UHFFFAOYSA-N 416.481 3.133 0 40 HGAB CC(C)[C@@H](NC(=O)Cc1nn(C)c(=O)c2ccccc12)c1ccc2c(c1)OCCCO2 48375276 IUHDUNMGDMJSPW-HSZRJFAPSA-N 421.497 3.151 0 40 HGAB CCCn1nnc(NC(=S)NC(=O)c2ccc(-c3ccc(C)c(Cl)c3)o2)n1 57316541 OPJYAFBSZBWJOB-UHFFFAOYSA-N 404.883 3.432 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN[C@H](C)c1ccccc1 57318555 XFKKXSUFTOUBAX-GOSISDBHSA-N 415.559 3.459 0 40 HGAB COCCOc1ccc([C@H](C)NC(=O)NCc2ccc([C@@H](C)O)cc2)cc1OC 58214022 ACLYSZOEXWBVGH-JKSUJKDBSA-N 402.491 3.334 0 40 HGAB CC(C)(NC(=O)CCn1c(=O)oc2cc(Cl)ccc21)c1ccc2c(c1)OCCO2 58433918 OOCCHPLIVGNQPF-UHFFFAOYSA-N 416.861 3.461 0 40 HGAB CN(C)C(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)c2cc(C(C)(C)C)ccc2O1 64985451 KFCJQWRGOKJTAF-LJQANCHMSA-N 402.516 3.029 0 40 HGAB CCOc1ccc(NC(=O)Cn2nnc(C(=O)Nc3cc(C)ccc3C)c2C)cc1 71327388 VTQGVQLHXLZHMX-UHFFFAOYSA-N 407.474 3.493 0 40 HGAB CCc1cccc(NC(=O)CNS(=O)(=O)Cc2cccc(C(F)(F)F)c2)c1 72074496 WXPCRUXAMLFZEI-UHFFFAOYSA-N 400.422 3.326 0 40 HGAB C[C@H]1CN(C(=O)c2cc(-c3ccc4c(c3)OCCO4)n[nH]2)[C@@H](C)CN1Cc1ccco1 72324260 HGVTYXITUVKYSS-HOTGVXAUSA-N 422.485 3.176 0 40 HGAB COc1ccc(C(=O)N[C@H]2C[C@@]3(CCC(=O)N(C)CC3)Oc3ccccc32)cc1OC 72327743 BGNVYNVRWZXQBH-UUOWRZLLSA-N 424.497 3.339 0 40 HGAB COc1ccc(CC(=O)N2CCC[C@@H](c3nnc(-c4ccccn4)o3)C2)cc1OC 72390018 XUSSPYVVEJBPBT-MRXNPFEDSA-N 408.458 3.098 0 40 HGAB CCC[C@H](NS(=O)(=O)c1ccc(OC(F)(F)F)cc1)c1nnc2ccccn12 79048680 QELQXOSKIUYIQC-AWEZNQCLSA-N 414.409 3.448 0 40 HGAB Cc1cc(C(=O)N2CC[C@@H]3[C@H](CCC(=O)N3C3CC3)C2)c(C)n1Cc1ccccn1 89577944 AEEMXFTYNCXEOX-XMSQKQJNSA-N 406.530 3.164 0 40 HGAB CN(C)Cc1c(C(=O)N2CCC(CNC(=O)c3ccccn3)CC2)oc2ccccc12 95430241 UUSVWBDCNJQAJG-UHFFFAOYSA-N 420.513 3.172 0 40 HGAB CN1CCC(N2CCC(NC(=O)Nc3ccccc3OCC(F)(F)F)CC2)CC1 95957701 VFEXUJIHYZBTLL-UHFFFAOYSA-N 414.472 3.308 0 40 HGAB CC(C)n1cnc([C@@H]2CN(C(=O)c3ccccc3)c3ccc(C(=O)N(C)C)cc32)n1 96267848 VMWYNBUZCZOTFI-LJQANCHMSA-N 403.486 3.353 0 40 HGAB C[C@@H](C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 96902031 QFBGIEXSWRROJI-DRZSPHRISA-N 417.437 3.367 0 40 HGAB CC(C)(C)C(=O)/C=c1\s/c(=C/c2cccc(F)c2)c(=O)n1Cc1ccccc1F 97993922 RPJLSFAIEZKNBM-VVPWPQJISA-N 413.489 3.461 0 40 HGAB COc1cccc(CNC(=O)[C@H]2C[C@@H]3CC[C@@H]2C[C@@]32NC(=O)c3ccccc3N2)c1 100117731 JXXRWKOEMMKPSW-UDABPDOUSA-N 405.498 3.299 0 40 HGAB COC(=O)c1cn(CCc2ccc(OC)cc2)cc2c(=O)n(-c3ccccc3)nc1-2 101715856 LYQVLFRXLXHXFL-UHFFFAOYSA-N 403.438 3.177 0 40 HGAB CCOc1ccc(CNC(=O)[C@H](CC)N(c2cccc(C)c2)S(C)(=O)=O)cc1 220519147 KBSUNTKEAVTFOK-FQEVSTJZSA-N 404.532 3.255 0 40 HGAB C[C@H](NC(=O)[C@@H](C)N(c1ccccc1F)S(C)(=O)=O)c1ccc2c(c1)CCC2 223235121 HXLFKMPGQDHUBZ-LSDHHAIUSA-N 404.507 3.346 0 40 HGAB Cc1ccc(C)c(N(CCCC(=O)NCCc2ccc(F)cc2)S(C)(=O)=O)c1 224150133 NZJFJFFANZAWND-UHFFFAOYSA-N 406.523 3.348 0 40 HGAB Cc1cc(C)cc(N(CCCC(=O)NCCc2ccc(F)cc2)S(C)(=O)=O)c1 224655965 BQPBPNCMWQOHFH-UHFFFAOYSA-N 406.523 3.348 0 40 HGAB Cc1ccc(CN(CC(=O)Nc2ccc(C(F)(F)F)cc2)S(C)(=O)=O)cc1 224971282 SGQSIXUZRNVLFA-UHFFFAOYSA-N 400.422 3.414 0 40 HGAB CCN(Cc1ccccc1)C(=O)CCCN(c1ccccc1OC)S(C)(=O)=O 225412725 LGVYUQFDZZAZIO-UHFFFAOYSA-N 404.532 3.290 0 40 HGAB Cc1cc(Nc2ccnc(NC3CCN(C(=O)c4c(F)cccc4F)CC3)n2)[nH]n1 257339072 ZABWRLSHIFXZCF-UHFFFAOYSA-N 413.432 3.247 0 40 HGAB O=C(CNC(=O)C(=O)Nc1cccc(Cl)c1)Nc1ccc(Cl)c(Cl)c1 408552758 NNYFANJZJXEZFT-UHFFFAOYSA-N 400.649 3.340 0 40 HGAB CCOc1cc(/C=C2\SC(=O)N(CC(=O)N(C(C)C)C(C)C)C2=O)ccc1O 409199268 AZTYOEIPNUPTPO-YVLHZVERSA-N 406.504 3.473 0 40 HGAB O=C(COC(=O)c1cccc(N2C(=O)C=CC2=O)c1)Nc1ccc2ccccc2c1 409220371 YAKZNWWCSGQKDN-UHFFFAOYSA-N 400.390 3.065 0 40 HGAB O=C1c2ccccc2CN1CC(=O)N1CCCC2=C[C@@H]3C[C@@H](CN4CCCC[C@H]34)[C@@H]21 409415252 YANKGUFDQNGLKJ-DAVFGYKESA-N 405.542 3.064 0 40 HGAB COc1ccccc1[C@H]1CNCCN1CC(=O)Nc1ccc(Oc2cccnc2)cc1 1848354003 GDYDXDONSMUNGF-JOCHJYFZSA-N 418.497 3.468 0 40 HGAB CCCN1CCN(C(=O)CNC)C[C@H](Cc2ccccc2-c2ccc(C)cc2)C1=O 1848354155 WFWNGUXTJBNBAB-QFIPXVFZSA-N 407.558 3.121 0 40 HGAB Cc1ccc(N(CC(=O)NCc2ccncc2)S(=O)(=O)c2ccccc2)c(C)c1 868433 RNMTURYKLFLMQG-UHFFFAOYSA-N 409.511 3.210 0 40 HGAB COc1ccc(COn2c(=O)c(-c3ccc(F)cc3)[n+]([O-])c3ccccc32)cc1OC 1410146 PQXLGGQDRJKKFU-UHFFFAOYSA-N 422.412 3.087 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)Nc2ccc(N(C)C)cc2)cc1 1463552 HBDQEELBPBHIKE-FQEVSTJZSA-N 401.532 3.243 0 40 HGAB CCCCCNC(=O)CN1CC[C@@]2(O)CCCC[C@H]2[C@@H]1c1ccc2c(c1)OCO2 4061958 XFEVYGOFGKAHNI-TZYHBYERSA-N 402.535 3.390 0 40 HGAB biogenic O=C(CCC(=O)N1CCc2ccccc2C1)N1CCN(c2cccc(Cl)c2)CC1 4676894 SZFYMEYSGLOINO-UHFFFAOYSA-N 411.933 3.354 0 40 HGAB CC(C)[C@H](NC(=O)N1CCn2c1nc1ccccc12)C(=O)NCCCc1ccccc1 5482838 IIHDIXFYYUALCP-NRFANRHFSA-N 419.529 3.340 0 40 HGAB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCn2c1nc1ccccc12 5488943 NKXOEALOSHRFHV-APWZRJJASA-N 405.502 3.092 0 40 HGAB CC(C)c1ccc([C@@]2(C)NC(=O)N(CC(=O)c3ccc4c(c3)OCCO4)C2=O)cc1 5798046 PSWOUHVUHGVXPQ-HSZRJFAPSA-N 408.454 3.231 0 40 HGAB Cc1ccc(-c2n[nH]c(SCC(=O)Nc3ccccc3C(=O)NC3CC3)n2)cc1 5869068 WCZKFSVPTZRZAY-UHFFFAOYSA-N 407.499 3.403 0 40 HGAB CC1CCN(C(=O)CCc2ccc(S(=O)(=O)NCc3ccccc3)cc2)CC1 6348717 CRMHMVYNLZCQBQ-UHFFFAOYSA-N 400.544 3.356 0 40 HGAB O=C(Nc1nc2ccc(F)cc2s1)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 6834230 PAKYEONDNXOPRK-NSHDSACASA-N 413.430 3.198 0 40 HGAB COc1cccc(CNCCCSc2nnnn2C)c1OCc1ccc(F)cc1 7541475 PEKKERLYCNMOGU-UHFFFAOYSA-N 417.510 3.209 0 40 HGAB COc1ccc(OC)c([C@H]2CCCN2C(=O)COc2ccc(-c3nnco3)cc2)c1 7773910 XVOLAPBIIZKKCG-LJQANCHMSA-N 409.442 3.496 0 40 HGAB NC(=O)c1c(NC(=O)CSc2nccn2Cc2ccccc2)sc2c1CCC2 8156934 LJUGRDNICFXZMA-UHFFFAOYSA-N 412.540 3.311 0 40 HGAB O=C(COc1cccc(-n2cnnn2)c1)N[C@H](c1ccc(F)cc1)c1cccs1 8562100 KXEIDXJGRZALGG-HXUWFJFHSA-N 409.446 3.148 0 40 HGAB CCn1c(CCC(=O)Nc2cccc(C)c2)nc2cc(S(=O)(=O)N(C)C)ccc21 10740873 FUOSOVIPBSAOIL-UHFFFAOYSA-N 414.531 3.186 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC(c3nc(C)n4ccsc34)CC2)cc1F 12087547 NZEAJJUSEWBMQU-UHFFFAOYSA-N 409.508 3.420 0 40 HGAB Cc1cc(C)n(-c2ccc(C(=O)N3CCC4(CC3)NC(=O)c3ccccc3O4)cc2)n1 12183569 YRRLIAFQKOAITJ-UHFFFAOYSA-N 416.481 3.244 0 40 HGAB CC(C)N1CCC(C(=O)N2CCC[C@H](c3nc4ccccc4cc3C(N)=O)C2)CC1 12220201 UHJZTQNIJZGWGL-IBGZPJMESA-N 408.546 3.160 0 40 HGAB COCc1ccc(C(=O)N2CCC[C@@H](c3nc4ccccc4cc3C(N)=O)C2)cc1 12255950 JUXVKLOCWIMNCF-LJQANCHMSA-N 403.482 3.500 0 40 HGAB CCOc1ccc(OCC(=O)N2CCN(c3nccn3-c3ccc(C)cc3)CC2)cc1 12444688 XFKYGJGCBYAXQQ-UHFFFAOYSA-N 420.513 3.307 0 40 HGAB Cc1cc(CNC(=O)CNc2cc3c(cc2Br)OCCO3)ccc1F 12537422 QGGIQCRTMAIAIK-UHFFFAOYSA-N 409.255 3.396 0 40 HGAB CCCn1c(C)cc(C(=O)CN2C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C2=O)c1C 12567934 KIUICRZZWAAMFB-FQEVSTJZSA-N 406.486 3.342 0 40 HGAB Cc1ccc(-n2nc(C)c(NC(=O)CN3C(=O)N[C@]4(CCCC[C@@H]4C)C3=O)c2C)cc1 12753692 QNXQNTZUALRNMK-WNSKOXEYSA-N 423.517 3.237 0 40 HGAB CCOc1ccc(OC(C)(C)C(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)cc1 12754390 PWBYPCWMUNXRAY-UHFFFAOYSA-N 418.515 3.322 0 40 HGAB Cc1ccc([C@@H](CN2CCOCC2)NS(=O)(=O)c2ccc(Cl)s2)cc1 12793033 CIXYGCNQBDGTRE-OAHLLOKOSA-N 400.953 3.062 0 40 HGAB Cc1nn(-c2ccccc2)c(C)c1CCC(=O)N(C)Cc1nc2ccccc2c(=O)[nH]1 12923959 QNQKTWZTCXOTBB-UHFFFAOYSA-N 415.497 3.317 0 40 HGAB Cc1ccccc1CNC(=O)CN1CCCN(c2ccc(C(F)(F)F)cn2)CC1 12987550 OFIOTIOLOZHPNR-UHFFFAOYSA-N 406.452 3.237 0 40 HGAB COC(=O)c1cc(NCC(=O)Nc2cc(OC)c(OC)c(OC)c2)ccc1Cl 13005060 AXTXJGDKMIYVIE-UHFFFAOYSA-N 408.838 3.203 0 40 HGAB COc1cc(OC)c(NS(=O)(=O)c2cc(C(=O)N3CCC3)ccc2C)cc1Cl 13019189 HANWZRAOLSSLHM-UHFFFAOYSA-N 424.906 3.312 0 40 HGAB CCOc1ccc(/C=c2\sc3nc(-c4ccc(F)cc4)nn3c2=O)cc1OCC 13748230 MKVVAPDTMCKIBN-PDGQHHTCSA-N 411.458 3.302 0 40 HGAB O=C(CSc1ccccc1)Nc1nnc(CS(=O)(=O)c2ccccc2)s1 13856310 FPHQXVMERMXRLS-UHFFFAOYSA-N 405.526 3.243 0 40 HGAB CC(=O)Nc1cc(NC(C)=O)cc(C(=O)NC[C@H](c2ccco2)N2CCCCC2)c1 14251609 GLSHLLXTYQLMAN-HXUWFJFHSA-N 412.490 3.153 0 40 HGAB C[C@@H]1C[C@@H]1C(=O)N(CCC1=CCCCC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 14697660 YQDBXARTZOVDJF-APWZRJJASA-N 422.529 3.047 0 40 HGAB CN1CCN(C(=O)CCn2c(=O)oc3cc(Cl)ccc32)c2nc3ccccc3nc21 14814930 ACJQBBQHKHJBNL-UHFFFAOYSA-N 423.860 3.064 0 40 HGAB COc1ccc(-n2cccc2/C=C2\NC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1 15225737 WUSCZFOKVXYIFL-MOSHPQCFSA-N 418.409 3.487 0 40 HGAB CCCCc1nn2c(=O)cc(COC(=O)COc3ccccc3Cl)nc2s1 15734083 UCZCHTVSUFNAKN-UHFFFAOYSA-N 407.879 3.269 0 40 HGAB CCCCc1nn2c(=O)cc(COC(=O)COc3ccc(Cl)cc3)nc2s1 15734084 MOQUBWNMRGALON-UHFFFAOYSA-N 407.879 3.269 0 40 HGAB COc1ccc(F)cc1S(=O)(=O)N(C)CC(=O)Nc1c(Cl)cccc1Cl 16188013 UJFRRTSVHFYICP-UHFFFAOYSA-N 421.277 3.400 0 40 HGAB O=C(Nc1cccc(C(F)(F)F)c1)c1c2c(nn1[C@@H]1CCS(=O)(=O)C1)CCC2 16850880 XQTQGTCDDRYJQO-CYBMUJFWSA-N 413.421 3.003 0 40 HGAB Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1C(=O)C(=O)NCc1ccccn1 17167956 XCWQEXWDOYAESE-UHFFFAOYSA-N 402.376 3.402 0 40 HGAB CCOc1ccc(NS(=O)(=O)c2ccc(C(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)cc1 17327271 YRZTXIOXGFSRJX-HOTGVXAUSA-N 418.515 3.136 0 40 HGAB Cc1cc(-c2cn(CCO)nc2[C@@H]2CCCCN2C(=O)Cc2cccc(F)c2)on1 19121314 XHNUMRNUGAINJN-IBGZPJMESA-N 412.465 3.274 0 40 HGAB Cc1ccc(C(=O)N2CCC[C@H](c3cc(N(C)C)nc(-c4cccnc4)n3)C2)cn1 19214851 RXESBWXAHNPQNQ-IBGZPJMESA-N 402.502 3.328 0 40 HGAB O=C1CC[C@]2(CCCN(C(=O)C[C@@H]3NC(=O)c4ccccc43)[C@@H]2c2ccc(F)cc2)N1 19375042 ZKZRZBZBUSJVAQ-KWOQKUFVSA-N 421.472 3.013 0 40 HGAB CCC(C)(C)n1nnnc1[C@@H](c1ccncc1)N1CCN(c2ccccc2F)CC1 19499746 JNCPTHYTOIOBNY-HXUWFJFHSA-N 409.513 3.264 0 40 HGAB CCn1nc(C(C)C)cc1C(=O)N1CCN([C@H](c2ccccc2)c2nccn2C)CC1 19524124 IHILUSQPNHQBJV-JOCHJYFZSA-N 420.561 3.307 0 40 HGAB CNC(=O)[C@]1(Cc2ccccc2-c2ccccc2F)CCN(C(=O)c2cnccn2)C1 19591645 JFVDZZBTHOXOJA-DEOSSOPVSA-N 418.472 3.104 0 40 HGAB Cc1nc2cc(NC(=O)[C@H]3CCCN(CCC(N)=O)C3)ccc2n1C1CCCCC1 19717591 XHDJGOKZMBUDEI-KRWDZBQOSA-N 411.550 3.376 0 40 HGAB CCC(=O)N1CCC[C@@H](c2nc(C)c3c(n2)N(CCc2ccccc2F)C(=O)C3)C1 19744475 VIPHJRMLDZINPH-QGZVFWFLSA-N 410.493 3.172 0 40 HGAB COc1ccc(NC(=O)CN(c2c(C)cc(C)cc2C)S(C)(=O)=O)c(OC)c1 22382024 XCWVORXARDDHMM-UHFFFAOYSA-N 406.504 3.034 0 40 HGAB COc1cc(C(=O)NCCCO[C@H](C)c2ccccc2)cc(Cl)c1OCC(N)=O 23021908 XKSSLMZLBMAKIC-CQSZACIVSA-N 420.893 3.110 0 40 HGAB Cc1ccc(C)c(C(=O)[C@@H](C)OC(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)c1 23062412 JTBCHQZDKOPMSP-OAHLLOKOSA-N 401.484 3.172 0 40 HGAB C[C@H](C(=O)N[C@@H]1CCCc2ccccc21)N1CCN(Cc2ccc3c(c2)CCO3)CC1 23247941 FVDMGCOPSXVNMV-NTKDMRAZSA-N 419.569 3.321 0 40 HGAB Cc1cccc(C(=O)NCCC(=O)Nc2cc(Cl)ccc2N2CCN(C)CC2)c1 24991985 SFXAXQYZWOSXRM-UHFFFAOYSA-N 414.937 3.159 0 40 HGAB CCc1ccc(OCC(=O)NC[C@@H](c2ccccc2Cl)N2CCOCC2)cc1 27662120 IFGJJQPVJRQXKE-NRFANRHFSA-N 402.922 3.471 0 40 HGAB COC(=O)c1cccc(S(=O)(=O)N(C)Cc2ccc(OC(F)(F)F)cc2)c1 28042365 HFSNCRTXRVPHPS-UHFFFAOYSA-N 403.378 3.193 0 40 HGAB COc1ccc(N[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)c(OC)c1 28051055 DEJZDENKHHRSFF-OAHLLOKOSA-N 405.248 3.210 0 40 HGAB CCOC(=O)[C@H]1CCCN(C(=O)Cn2c(COc3ccccc3)nc3ccccc32)C1 29900095 FVLRTHNGOQIGOG-SFHVURJKSA-N 421.497 3.417 0 40 HGAB Cc1cccc2c(=O)n(CCCC(=O)N3CCN(C)C[C@H]3c3ccccc3)cnc12 30030455 RIQMTIVJYHDTBO-NRFANRHFSA-N 404.514 3.000 0 40 HGAB CCn1nc(C(C)C)cc1C(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 31816891 GERYZLJGWODKJU-UHFFFAOYSA-N 412.490 3.246 0 40 HGAB Cc1nn(C)c(C)c1NC(=O)Cc1ccc(NS(=O)(=O)c2cccs2)cc1 32455709 CHRFMWXQIIQIDP-UHFFFAOYSA-N 404.517 3.080 0 40 HGAB CCOc1ccc(OCCC(=O)N(CC)CC(=O)Nc2ccccc2OC)cc1 33000602 JJHSCYMWTZGZDJ-UHFFFAOYSA-N 400.475 3.350 0 40 HGAB COc1cccc(-c2noc([C@@H]3CCCN(S(=O)(=O)c4cccs4)C3)n2)c1 33058215 PWIWAKNRRXACEJ-CQSZACIVSA-N 405.501 3.375 0 40 HGAB CS(=O)(=O)c1ccc(Nc2nc(C(=O)NCCc3ccccc3)cs2)cc1 35596767 JKLRPFZFVCBONG-UHFFFAOYSA-N 401.513 3.263 0 40 HGAB COc1ccc2c(c1)cc(C(=O)N[C@H](CCSC)C(=O)Nc1nccs1)n2C 36575313 DZKIHDCAJSLYCT-CQSZACIVSA-N 418.544 3.134 0 40 HGAB C[C@@H](OC(=O)CNC(=O)c1cccc(OC(F)F)c1)c1nnc(-c2cccs2)o1 36784050 YLNDGGJOJOKISK-SNVBAGLBSA-N 423.397 3.434 0 40 HGAB C[C@@H](OC(=O)C1=NN(c2ccc(F)cc2)[C@@H](C(N)=O)C1)c1nc2ccccc2s1 40062701 PMFQXSDFWLOLAQ-BDJLRTHQSA-N 412.446 3.160 0 40 HGAB Cc1ccc(-c2nc(C)c(C(=O)NC3CCN(C(=O)c4ccncc4)CC3)s2)o1 40154684 SRYPLWDVPQGLGP-UHFFFAOYSA-N 410.499 3.450 0 40 HGAB COc1ccccc1CN(C)C(=O)[C@H](C)N(c1ccc(Cl)cc1)S(C)(=O)=O 44840203 ANWMOMYQGMPYLC-AWEZNQCLSA-N 410.923 3.162 0 40 HGAB Cc1ccc(Cl)c(O[C@@H](C)C(=O)N2C[C@H](C(=O)N(C)C)Oc3ccccc32)c1 45646700 STZDVDGCWOJEIT-IFXJQAMLSA-N 402.878 3.298 0 40 HGAB Cc1cc(CN2CCCN(C(=O)c3ccc(NC(=O)c4ccco4)cc3)CC2)no1 58174563 RQHVJIDDXQUBIW-UHFFFAOYSA-N 408.458 3.176 0 40 HGAB Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)NCC(C)C)Oc3cc(C)ccc32)cc1 64985946 JBOYOQFJDGNNNP-HXUWFJFHSA-N 402.516 3.032 0 40 HGAB CCN1CCC(NC(=O)NC[C@@H]2CCN(c3cccc(Br)c3)C2)CC1 71186526 WNNKPUSZNGWBKQ-HNNXBMFYSA-N 409.372 3.059 0 40 HGAB Cn1cc(NC(=O)c2cccc(NC(=O)N3CCN(c4ccccc4)CC3)c2)cn1 71282368 XIXVHWBJKFXGGP-UHFFFAOYSA-N 404.474 3.027 0 40 HGAB COc1ccc(CCC(=O)N2CCC[C@H](c3ncncc3-c3noc(C)n3)C2)cc1 72356115 NWTPROWUXWSFAK-KRWDZBQOSA-N 407.474 3.182 0 40 HGAB COc1cc(NC(=O)N2CCOC[C@H]2C[C@@H](O)c2ccccc2)ccc1NC(C)=O 89265523 ULRBFXUBDMRXKR-UYAOXDASSA-N 413.474 3.010 0 40 HGAB O=C(CN(C[C@H]1CCCO1)c1nc(-c2cccnc2)nc2ccccc12)N1CCCC1 89866719 SXGGSCFSVGADIA-LJQANCHMSA-N 417.513 3.300 0 40 HGAB COC(=O)C1=C(C)Nc2nc(SC)[nH]c(=O)c2[C@@H]1c1cccc(Br)c1 100821662 MZHPKHISZVPKJM-GFCCVEGCSA-N 422.304 3.259 0 40 HGAB COC(=O)Cn1/c(=N\C(=O)c2ccc(Br)o2)sc2cc(C)ccc21 100877915 FIYBGXXVIFMNOA-FBMGVBCBSA-N 409.261 3.281 0 40 HGAB COc1cc(Br)cc(/C=C2\NC(=O)N(Cc3ccc(F)cc3)C2=O)c1O 101665977 BZYZXZYNFUUZIB-AUWJEWJLSA-N 421.222 3.395 0 40 HGAB CCN(c1ccc(C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)cc1)S(=O)(=O)CC 222731402 RMPSRLXKRSXNFR-HNNXBMFYSA-N 418.515 3.125 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)NCc2cccc(C)c2)c(C)c1 222817035 GUJFINRJMZLYRF-UHFFFAOYSA-N 404.532 3.029 0 40 HGAB COc1ccc(Cl)cc1N(CC(=O)NC[C@@H](C)c1ccccc1)S(C)(=O)=O 223671127 DDUOTXCHGDMBPK-CQSZACIVSA-N 410.923 3.035 0 40 HGAB O=C(CCCN1c2cccc3cccc(c23)S1(=O)=O)NCCOc1ccccc1 224117612 OPAZOGDTRPTYNS-UHFFFAOYSA-N 410.495 3.324 0 40 HGAB CCN(c1ccc(C(=O)NCCCOC(C)C)cc1)S(=O)(=O)c1ccccc1 224360622 GZKKBFBOECWTFU-UHFFFAOYSA-N 404.532 3.447 0 40 HGAB Cc1ccc(CN(CC(=O)Nc2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1 224795242 HXBHPAADZFYXIW-UHFFFAOYSA-N 400.422 3.414 0 40 HGAB CC1CCC(N2CCc3nc([C@@H]4CCCN(C(=O)[C@H]5C[C@H]5C)C4)nc(O)c3C2)CC1 248106447 LRJJRJGCDCTXNE-OXQNKTCESA-N 412.578 3.481 0 40 HGAB CCn1cc(CN2C[C@H]3c4cc(-c5ccc(F)cc5)ccc4S(=O)(=O)[C@H]3C2)cn1 306140394 USEGVXDPURBOES-UNMCSNQZSA-N 411.502 3.464 0 40 HGAB Cc1ccc(C)n1NC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)cc1 408685475 PNHYVLBLHQDQEM-POHNSKBLSA-N 401.466 3.046 0 40 HGAB CC(C)(C)NC(=O)CSc1nc(O)cc(=O)n1-c1ccc(Cl)c(Cl)c1 408893656 HKPQWDSTRLHPNL-UHFFFAOYSA-N 402.303 3.252 0 40 HGAB CC(C)c1ccc(-n2cc(O)c(C(=O)N[C@@H]3CCN(c4ncccc4F)C3)n2)cc1 532286090 UVCGBXACMILMLQ-MRXNPFEDSA-N 409.465 3.244 0 40 HGAB CC(C)N1C(=O)C[C@H]2[C@H](CNS(=O)(=O)c3cccc(C(F)(F)F)c3)[C@@H](C)C[C@H]21 1775964323 FQXANQLLCRBOJL-KKBVYLPWSA-N 418.481 3.265 0 40 HGAB biogenic,in-vitro CCc1ccc2nc(N3CCN(c4cncc(-c5cnn(C)c5)n4)CC3)sc2c1 2298242804 MNKDHMUBBCREDO-UHFFFAOYSA-N 405.531 3.376 0 40 HGAB O=C(CN1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O)Nc1ccccc1O 990749 NCHYGUASUCAENU-MXXWWZHRSA-N 424.456 3.223 0 40 HGAB COc1ccc(-c2cc3nc4c(c(N5CCC6(CC5)OCCO6)n3n2)CCC4)cc1 1340951 NDJRQAYOONYZHS-UHFFFAOYSA-N 406.486 3.237 0 40 HGAB CCCn1c(SCC(=O)Nc2cccc(C(=O)OC)c2)nnc1-c1cccnc1 1361267 CKXGILJFRPTZMJ-UHFFFAOYSA-N 411.487 3.268 0 40 HGAB CC(C)(C)c1ccc([C@]2(C)NC(=O)N(CC(=O)N3CCc4ccccc43)C2=O)cc1 2622098 SIXONSIBGXTMKY-DEOSSOPVSA-N 405.498 3.340 0 40 HGAB CCc1cccc2c(C(=O)COC(=O)[C@H](C)N3C(=O)c4ccccc4C3=O)c[nH]c12 2644363 IOTPXQCRLSXGTQ-ZDUSSCGKSA-N 404.422 3.141 0 40 HGAB CCN(CC)CCNC(=O)CN1C(=O)c2ccccc2[C@@H]1c1cn(C)c2ccccc12 4734630 CQJAQBYIDXSJSM-XMMPIXPASA-N 418.541 3.182 0 40 HGAB CCc1nnc(NC(=O)CSc2nnc(-c3cccc(OC)c3)n2CC)s1 4736042 YYLPYRQHMRCCHK-UHFFFAOYSA-N 404.521 3.118 0 40 HGAB CC(C)Oc1ccc(C(=O)N(Cc2ccc(F)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 5177508 GMYMYNQTUQOSBY-LJQANCHMSA-N 405.491 3.442 0 40 HGAB O=C(O)c1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccccc4)[C@@H]3C2=O)cc1 5518033 GGMRDPNNDBIXGV-HBMCJLEFSA-N 414.417 3.436 0 40 HGAB CC(C)(C)NC(=O)COc1ccc(S(=O)(=O)NCc2ccccc2)cc1Cl 6298421 TUMPLMBSRVCWKM-UHFFFAOYSA-N 410.923 3.112 0 40 HGAB COc1ccc(NC(=O)COC(=O)/C(=C\c2ccccc2)NC(C)=O)cc1Cl 6317863 VQHGFEQURZTXCK-LICLKQGHSA-N 402.834 3.008 0 40 HGAB CN(C(=O)CSc1nnc(N)s1)[C@]1(c2ccccc2Cl)CCCCC1=O 7253723 PUZSIZFZJZKOPS-KRWDZBQOSA-N 410.952 3.363 0 40 HGAB COc1ccc(N(Cc2cccs2)C(=O)Cn2nnc3ccccc3c2=O)cc1 7735057 ZNQSVRKNSYOFRZ-UHFFFAOYSA-N 406.467 3.095 0 40 HGAB COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)O[C@H]2CCCCC2=O)cc1 7793682 HXHBHMOGGOPDJI-FQEVSTJZSA-N 417.483 3.189 0 40 HGAB CCOC(=O)[C@](NC(=O)c1cccnc1)(Nc1nc2ccccc2s1)C(F)(F)F 8974281 WDFLPZGRUIEFJD-KRWDZBQOSA-N 424.404 3.355 0 40 HGAB COc1cc(C(=O)Nc2ccc3c(c2)CN(C(=O)C2CC2)CC3)cc(OC)c1OC 9037559 LULLWHAGVPAKEC-UHFFFAOYSA-N 410.470 3.259 0 40 HGAB COc1ccc(OC)c([C@H]2NC(=S)NC(C)=C2C(=O)Nc2ccc(F)c(F)c2)c1 9461209 IBYJRAUBTPOJDM-GOSISDBHSA-N 419.453 3.414 0 40 HGAB COc1cccc(-n2ccnc2SCC(=O)Nc2ccc(N3CCOCC3)cc2)c1 9467343 NHUHFKAJRPRURH-UHFFFAOYSA-N 424.526 3.448 0 40 HGAB Cc1ccc(NC(=O)C(=O)NCCc2csc3nc(-c4ccc(F)cc4)nn23)cc1 9568995 WSQYCBFEROVJHO-UHFFFAOYSA-N 423.473 3.203 0 40 HGAB Cc1ccccc1-n1ccnc1SCC(=O)N(C)Cc1nc2ccccc2c(=O)[nH]1 10271424 WPCWCLHWXXLOAX-UHFFFAOYSA-N 419.510 3.168 0 40 HGAB Cc1cc2c(o1)c1cnn(CC(=O)N(Cc3ccccn3)C3CC3)c(=O)c1n2C(C)C 12145126 XRBIFXAIHIWXST-UHFFFAOYSA-N 419.485 3.420 0 40 HGAB Cc1cc(-c2cc(N)c(=O)n(CC(=O)Nc3ccc(OC(F)(F)F)cc3)n2)c(C)o1 12146793 WCPNSLZRBBPIAP-UHFFFAOYSA-N 422.363 3.240 0 40 HGAB O=S(=O)(N[C@H](Cc1ccsc1)c1cccnc1)c1ccc2c(c1)OCCO2 12228760 SIZAFNAQEYMJFA-QGZVFWFLSA-N 402.497 3.177 0 40 HGAB COc1ncc([C@]2(O)CCC[C@@H]3CN(Cc4ccc(Cl)cc4)C[C@@H]32)c(OC)n1 12233347 SEWGQILUYUHYJF-FYINFDKHSA-N 403.910 3.267 0 40 HGAB COc1cc2c(cc1OC)CN(C(=O)[C@@H]1CC(=O)N(c3ccc(Cl)cc3)C1)CC2 12408143 KOBSWWIBCMYUNS-MRXNPFEDSA-N 414.889 3.295 0 40 HGAB C[C@H](NC(=O)c1ccco1)C(=O)N[C@H](Cc1nc2ccccc2n1C)c1ccccc1 12601285 IWPIGCASDDLTCB-QFBILLFUSA-N 416.481 3.385 0 40 HGAB CC[C@@H](NC(=O)Cn1c(=O)n(C)c2ccccc21)c1ccc(Br)cc1 12757541 OSDIVADCUWWHCC-OAHLLOKOSA-N 402.292 3.370 0 40 HGAB Cc1ccc(C(=O)NCC(=O)Nc2nc(CN3C[C@@H](C)C[C@@H](C)C3)cs2)cc1 12783499 RYPZKVJXHBLMLG-IYBDPMFKSA-N 400.548 3.298 0 40 HGAB COc1ccc(NC(=O)COc2ccc3nc4n(c(=O)c3c2)CCCCC4)cc1OC 12899738 UCAAGAZXUMGPHS-UHFFFAOYSA-N 423.469 3.158 0 40 HGAB biogenic COc1ccc(-c2nc(CSc3n[nH]c(=O)n3CCc3ccccc3)no2)cc1 12918245 NNZQOWMNVHCGAP-UHFFFAOYSA-N 409.471 3.165 0 40 HGAB C[C@H]1CCCCN1CC(=O)Nc1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1 13003911 TZPPPXQGIKYADJ-KRWDZBQOSA-N 407.580 3.453 0 40 HGAB O=C1c2ccccc2S(=O)(=O)N1Cc1csc(COc2ccc(F)cc2)n1 14902263 QIBACQOCTXSXCH-UHFFFAOYSA-N 404.444 3.206 0 40 HGAB Cc1nc2c(C)cccn2c(=O)c1Cc1nnc(SCCOc2ccccc2)n1C 15859248 WNTSHIVSEPICFW-UHFFFAOYSA-N 421.526 3.202 0 40 HGAB COc1ccc(S(=O)(=O)N(C)CC(=O)NC2CCCCCCC2)cc1Cl 16187742 WJEUJIDDLFCHCI-UHFFFAOYSA-N 402.944 3.198 0 40 HGAB C[C@H]1CN(C(=O)CSc2ncnc3c2cnn3-c2ccc(Cl)cc2)C[C@@H](C)O1 17246290 AWQJXMQKFDXELH-BETUJISGSA-N 417.922 3.197 0 40 HGAB O=C1CC[C@]2(CCCN(C(=O)Cc3ccc4c(c3)OCO4)[C@@H]2c2ccc(F)cc2)N1 19336233 MRYPFOQQPRIURJ-PKTZIBPZSA-N 410.445 3.109 0 40 HGAB CCCC(=O)NCCn1nc(C2CCN(Cc3ccncc3)CC2)c2cccnc21 19501757 LKGHKFKAOYIFTA-UHFFFAOYSA-N 406.534 3.122 0 40 HGAB CCCCn1cc(S(=O)(=O)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)c(C)n1 19502440 OQBYAXURANZCQH-INIZCTEOSA-N 401.536 3.436 0 40 HGAB COc1ccc2nc(C)c(C(=O)Nc3ccc4c(c3)CCN4S(C)(=O)=O)cc2c1 19582588 KAOBDTKBHVZJBJ-UHFFFAOYSA-N 411.483 3.126 0 40 HGAB COCCOc1ccc(CN2CCC[C@H]([C@@H]3C[C@H](C(F)F)n4ncnc4N3)C2)cc1 19593696 RFZODOBJNQEZTI-YTQUADARSA-N 421.492 3.206 0 40 HGAB COCCOc1cccc(CN2CCC[C@H]([C@@H]3C[C@H](C(F)F)n4ncnc4N3)C2)c1 19593790 GZBCQQYHBBNARY-YTQUADARSA-N 421.492 3.206 0 40 HGAB Cc1ccc2c(c1)cc(C(=O)N1CCc3nc(N4CCC[C@@H](C)C4)[nH]c(=O)c3C1)n2C 19655340 LJIPQYFWJGQHNQ-MRXNPFEDSA-N 419.529 3.005 0 40 HGAB Cc1ccc(N2C[C@@H](C(=O)NCc3ccc(CN4CCCC4=O)cc3)CC2=O)c(C)c1 19714977 HDVFJKYKDWEIPF-NRFANRHFSA-N 419.525 3.095 0 40 HGAB CCCn1ncc2ccc([C@@H]3CCCN(S(=O)(=O)c4c(C)noc4C)C3)nc21 19742492 IUBYPCLHZGKXAP-MRXNPFEDSA-N 403.508 3.014 0 40 HGAB Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCCCC4)nc(N)c32)c(Cl)c1 20799989 OLPTZZVZLAJYGG-LBPRGKRZSA-N 414.897 3.075 0 40 HGAB CC(=O)COC(=O)c1ccccc1OCC(=O)Nc1ccc(Br)cc1 20891883 AJQACLKDADRLCL-UHFFFAOYSA-N 406.232 3.212 0 40 HGAB COc1ccc(C(=O)COC(=O)c2ccc(OCc3noc(C)n3)cc2)cc1F 21563266 KZTACXHWRYRLJL-UHFFFAOYSA-N 400.362 3.144 0 40 HGAB O=C(CCn1c(=O)oc2ccccc21)NCc1ccc(COCC(F)(F)F)cc1 22487588 HITFISYYBHKZRE-UHFFFAOYSA-N 408.376 3.380 0 40 HGAB O=C(CN1C(=O)CC2(CCCCC2)C1=O)Nc1ccccc1C(=O)NC1CCCC1 23043535 OGOKUTDEEHVJPV-UHFFFAOYSA-N 411.502 3.007 0 40 HGAB CCOC(=O)N1CCC(NC(=O)CCc2ccc(OC)c(Br)c2)CC1 28433989 RCPPWYUVQWBSIM-UHFFFAOYSA-N 413.312 3.127 0 40 HGAB COc1ccc(-c2noc(CN3CCN(C(=O)C(C)(C)c4ccccc4)CC3)n2)cc1 29694006 SIAGPIPPLCQPTD-UHFFFAOYSA-N 420.513 3.367 0 40 HGAB O=C(NC1CCN(C(=O)CCc2nc(-c3ccccc3)no2)CC1)c1ccccc1 29776567 CZMQSUBWVPJEST-UHFFFAOYSA-N 404.470 3.090 0 40 HGAB CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)COc1ccccc1C(C)(C)C 30064415 HMIXRYSRPNDKAO-UHFFFAOYSA-N 416.543 3.203 0 40 HGAB CCCC[C@@]1(c2ccc(F)cc2)NC(=O)N(Cc2cc(=O)n3cccc(C)c3n2)C1=O 31641637 YPKUHABHLRZYFZ-QHCPKHFHSA-N 422.460 3.280 0 40 HGAB CCOC(=O)C1=C(COC(=O)c2cc3ccc(F)cc3s2)NC(=O)N[C@@H]1CC 32739678 WPMKXFZHJQCIBC-GFCCVEGCSA-N 406.435 3.106 0 40 HGAB CCc1ccc([C@H](NC(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C2CC2)C(C)C)cc1 32908359 DYMQTZFFMYHIRP-LJQANCHMSA-N 406.486 3.109 0 40 HGAB O=C(NCc1ccccn1)C1CCN(c2nccn3nc(-c4ccccc4)cc23)CC1 33266502 HNDVENFYJVIVHS-UHFFFAOYSA-N 412.497 3.324 0 40 HGAB COC(=O)[C@H](c1ccccc1Cl)N1CCN(C(=O)/C=C/c2cccs2)CC1 36398583 RSDOMGDZSGBWGQ-SGQUHAKNSA-N 404.919 3.473 0 40 HGAB COc1ccc(C)cc1NC(=O)CCn1c(=O)cc(C(F)F)c2c(C)n(C)nc21 36621474 YIKUAOGTNGBMMN-UHFFFAOYSA-N 404.417 3.327 0 40 HGAB Cc1nc(S)sc1CC(=O)N1CCC(C(=O)N2CCc3ccccc3C2)CC1 40059688 AVRGERQISXCEBV-UHFFFAOYSA-N 415.584 3.106 0 40 HGAB CC(C)[C@H](C(=O)NCc1cccnc1OC1CCCC1)N1C(=O)c2ccccc2C1=O 40090838 UDGHIPXWFANIBV-HXUWFJFHSA-N 421.497 3.340 0 40 HGAB O=C(O)[C@H](Cc1ccccc1)NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc(Cl)cc1 40267182 QQNCUHFXAACJOJ-ICSRJNTNSA-N 424.888 3.416 0 40 HGAB Cc1nnc(NC(=O)[C@H]2c3ccccc3C(=O)N(C)[C@H]2c2ccc3c(c2)OCO3)s1 40267315 WSAMXEFVIJPCMT-ROUUACIJSA-N 422.466 3.124 0 40 HGAB Cc1cccc(C)c1N1C(=O)C[C@@]2(CC(c3cccc(Br)n3)=NO2)C1=O 44920223 LYIYHQGKQIHDKP-IBGZPJMESA-N 414.259 3.288 0 40 HGAB Cc1ccc(O[C@@H](C)C(=O)N2CCN(c3nccs3)CC2)c(Br)c1 45036802 OFKMIPLCIMIHEF-ZDUSSCGKSA-N 410.337 3.330 0 40 HGAB Cc1ccc(-c2nn(C)c(=O)c3c2CCCC3)cc1S(=O)(=O)N1CCC(C)CC1 46027376 OPABBMRYQYTWSS-UHFFFAOYSA-N 415.559 3.055 0 40 HGAB CC(=O)Nc1cc(-c2ccccc2)nn([C@H](C)C(=O)Nc2ccc(C(C)=O)cc2)c1=O 46079166 NEPYWAMOXDEZJH-CQSZACIVSA-N 418.453 3.271 0 40 HGAB CCOc1ccc(-n2c(N3CCSC3)nc3cc(C(=O)OC)ccc3c2=O)cc1 49006438 IQRANCUAEAVNOI-UHFFFAOYSA-N 411.483 3.082 0 40 HGAB COc1ccc(Br)cc1S(=O)(=O)N[C@@H](C)COc1ccccc1 56123108 OCERBWBONGCXTR-LBPRGKRZSA-N 400.294 3.204 0 40 HGAB COC1CCN(C(=O)c2cccn2-c2cccc(I)c2)CC1 64023595 PCZZIYZOIJSJNH-UHFFFAOYSA-N 410.255 3.333 0 40 HGAB O=C(CN1CCC(c2nc(-c3ccccn3)no2)CC1)Nc1ccnn1C1CCCC1 69925635 LINHBBHAYBPFGI-UHFFFAOYSA-N 421.505 3.261 0 40 HGAB Cc1cc(F)ccc1NC(=O)CN1N=C(c2nc(-c3ccccc3)no2)CCC1=O 71772320 WLRGCTSLBBOGIN-UHFFFAOYSA-N 407.405 3.149 0 40 HGAB Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1CNC(=O)OC(C)(C)C 72224695 MTHUUOITKXYTCM-UHFFFAOYSA-N 406.527 3.472 0 40 HGAB O=S(=O)(c1cc(F)cc(F)c1)N1CCC[C@H]1c1cc(Nc2ccccn2)[nH]n1 72382922 HUTCHDLKAFZWOE-INIZCTEOSA-N 405.430 3.352 0 40 HGAB COc1ccc(CN2CCC[C@@H](c3cc(=O)[nH]c(-c4ccncc4)n3)C2)c(OC)c1 72392909 PEGPJRGUFUTJCZ-QGZVFWFLSA-N 406.486 3.229 0 40 HGAB CCOC(=O)[C@H]1Oc2c(c(=O)oc3ccccc23)[C@@H]1c1cc2ccccc2[nH]c1=O 79190161 TZGXCSXIGQOZOY-PXNSSMCTSA-N 403.390 3.091 0 40 HGAB biogenic Cn1c(=O)oc2cc(NC(=O)Cc3csc(-c4ccc5c(c4)OCO5)n3)ccc21 89749509 YCNGLCAZPDBTQB-UHFFFAOYSA-N 409.423 3.165 0 40 HGAB COC(=O)c1ccc(S(=O)(=O)N2CCC(CSCc3ccco3)CC2)cc1 90608446 QPQRQIAFZFJSIJ-UHFFFAOYSA-N 409.529 3.400 0 40 HGAB CS(=O)(=O)c1ccc(Oc2ccc(NC(=O)[C@H]3CCn4cncc4C3)cc2)cc1 95972833 VVFDRAWTJLKTJN-HNNXBMFYSA-N 411.483 3.280 0 40 HGAB COc1ccc(S(=O)(=O)N[C@H](C)c2onc(-c3ccccc3)c2C(=O)O)cc1 96297034 XINAODZNECPSSH-GFCCVEGCSA-N 402.428 3.088 0 40 HGAB biogenic,in-vitro CC(C)N1C(=O)[C@@H](NC(=O)C(=O)NCc2ccc(Cl)cc2Cl)c2ccccc21 101457409 HZBQPVFZDWMHFD-KRWDZBQOSA-N 420.296 3.222 0 40 HGAB O=Cc1ccc(OC(=O)c2cccc(N3C(=O)[C@H]4[C@@H]5C=C[C@@H]([C@H]6C[C@H]56)[C@H]4C3=O)c2)cc1 102139415 JWJJTGFXWHTUPP-BGJURXJTSA-N 413.429 3.276 0 40 HGAB O=C(c1cc(-c2ccccc2)nn1-c1ccccc1)N(C1CC1)[C@@H]1CCS(=O)(=O)C1 102306500 RSHXLWDRRQSICA-HXUWFJFHSA-N 421.522 3.331 0 40 HGAB C[C@@H]1C[C@@H]1c1ccc(CN(C)C(=O)CC[C@@H]2NC(=O)N(c3ccc(F)cc3)C2=O)o1 105665554 KXZVHZSWTUYNKT-BVGQSLNGSA-N 413.449 3.406 0 40 HGAB O=C(CCc1cc(Br)ccc1OC(F)F)N1CC[C@@H](n2ccnn2)C1 206929012 FLTXHYLTMXJMEW-CYBMUJFWSA-N 415.238 3.048 0 40 HGAB CCOC[C@]1(CN)[C@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccccc1 218217481 OTWBSRSMBMOJHH-CEXWTWQISA-N 424.360 3.370 0 40 HGAB OC1C(Br)=CC(Br)(Br)C=C1Br 219779588 GEBBAVYHABMOJI-UHFFFAOYSA-N 411.713 3.405 0 40 HGAB CC[C@@H](C(=O)N[C@@H](C)CCc1ccccc1)N(c1ccc(OC)cc1)S(C)(=O)=O 220650400 PCAHSXNSWBKPPS-UWJYYQICSA-N 418.559 3.377 0 40 HGAB Cc1ccc(OC[C@@H](C)NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2Cl)cc1 222523841 NYAVWNPIYCRFJY-CQSZACIVSA-N 410.923 3.242 0 40 HGAB COC(=O)c1cn(C(=O)CN(c2cccc(C)c2C)S(C)(=O)=O)c2ccccc12 222583959 ZHBUVAAPLAODBR-UHFFFAOYSA-N 414.483 3.151 0 40 HGAB COc1cc2c(cc1S(=O)(=O)N1CCN(c3ccccc3F)CC1)CCCC2 222683748 DPMAIKDZPZPDOV-UHFFFAOYSA-N 404.507 3.224 0 40 HGAB S=C1N[C@H](c2ccccn2)[C@H](c2cccn2Cc2ccccn2)N1C[C@@H]1CCCO1 223321363 TZVCMGFBVUSUPN-BWAGFHJFSA-N 419.554 3.478 0 40 HGAB O=S(=O)(Nc1ccc(S(=O)(=O)Nc2ccccc2F)cc1)c1ccccc1 223755359 NWOWJFFHQBKADO-UHFFFAOYSA-N 406.460 3.427 0 40 HGAB CCOC(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc(NC(C)=O)cc1 224896416 CTJARRLMMLTWNF-UHFFFAOYSA-N 424.906 3.365 0 40 HGAB CS(=O)(=O)N(CC(=O)N1CCS/C1=C/c1cccs1)C1CCCCC1 225232842 ZBHXFHKEAIPEGQ-SFQUDFHCSA-N 400.591 3.216 0 40 HGAB Cc1ccc(OC[C@@H](C)NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)cc1C 225820261 MBPLNAOAVPUCGL-MRXNPFEDSA-N 424.950 3.161 0 40 HGAB COc1ccc([C@H]2C[C@@](C)(NC(C)=O)[C@@H]3CC[C@@H](C)C[C@H]3O2)cc1Cn1cncn1 257308294 TWFJTPPZNNZZIS-PEAKKCBMSA-N 412.534 3.496 0 40 HGAB Cc1ncc(-c2nccnc2[C@H]2CCCN(C(=O)c3n[nH]c4ccccc34)C2)n1C 257308309 TWGUPUGXCIFWLK-HNNXBMFYSA-N 401.474 3.082 0 40 HGAB COc1cccc(-c2cc(C(=O)N3C[C@@H]4C[C@@]5(C)[C@H](CCCC[C@@H]35)N4C(C)=O)[nH]n2)c1 257325246 WSBYSUVMMJYIGE-CAYPQNLTSA-N 422.529 3.479 0 40 HGAB COc1ccc(N(CCCC(=O)N[C@H](C)CCc2ccccc2)S(C)(=O)=O)cc1 260508236 QCGHLDKROFKFNI-GOSISDBHSA-N 418.559 3.379 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)Nc2ccccc2SC)cc1 408622219 MWNNWTLSTHQXDN-UHFFFAOYSA-N 408.545 3.457 0 40 HGAB Cc1ccn2ncc(C(=O)N[C@H]3CC(=O)N(C)[C@@H]3c3ccc(Cl)c(F)c3)c2c1 501156473 DAIFLMCIWNJZHC-QFBILLFUSA-N 400.841 3.137 0 40 HGAB C[C@]1(C(=O)Nc2ccc3c(c2)OCO3)CCC(=O)N1CCc1c[nH]c2ccccc12 575443683 HUSCRQYRBUGDMK-HSZRJFAPSA-N 405.454 3.459 0 40 HGAB COCCN1CCC[C@@]12CCCN(C(=O)CCc1ccc(OC)cc1OC)CC2 585100620 QHDQMAKRKQTQSH-HSZRJFAPSA-N 404.551 3.130 0 40 HGAB Cc1nc(/C=C/C(=O)N2CCC[C@@H](Cc3cnc(Nc4ccccn4)cn3)C2)cs1 585291388 OQADJQKDMVGZPK-OZSKJFCKSA-N 420.542 3.875 0 40 HGAB COc1ccc(CC(=O)N2CCc3c(COCc4ccncc4)cncc3C2)cc1F 1565554744 YMHOYBVPKXYEFE-UHFFFAOYSA-N 421.472 3.469 0 40 HGAB C[C@@H](Oc1ccc(F)cc1)C(=O)N1CCC(n2nc(C(C)(C)C)ccc2=O)CC1 1775995101 BRNXXXVURANWLB-OAHLLOKOSA-N 401.482 3.311 0 40 HGAB Cc1noc(C)c1CN1C[C@H]2C[C@H](Oc3cnccn3)[C@@H](n3ccnc3C)C[C@H]2C1 2332242568 XTELFTRGXKMEKP-YHELAOLJSA-N 408.506 3.117 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccccc3Cl)C2)cc1 796742 WXTUNLICZCSDNJ-INIZCTEOSA-N 422.934 3.066 0 40 HGAB O=C(Nc1nnc(-c2cccs2)o1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 2456894 HETZBPREYFGYBC-UHFFFAOYSA-N 418.500 3.225 0 40 HGAB CC[C@@H](c1nnc(SCC(=O)NCc2ccco2)n1Cc1ccccc1)N(C)C 2623558 CYJXABBQHDEXOJ-SFHVURJKSA-N 413.547 3.341 0 40 HGAB COCCNC(=O)c1ccc2c(=O)n(Cc3ccc(Cl)cc3)c(=S)[nH]c2c1 3043721 GISXATNOLIPMBT-UHFFFAOYSA-N 403.891 3.137 0 40 HGAB O=C(COC(=O)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1)c1ccccc1 3228418 WUEGCWAVDRKYBL-UHFFFAOYSA-N 405.447 3.040 0 40 HGAB C[C@@H](Sc1ccc2c(c1)OCCO2)C(=O)Nc1ccc(N2CCOCC2)cc1 3279037 KXWLZBUPZVNHHV-OAHLLOKOSA-N 400.500 3.414 0 40 HGAB COc1cc2c(cc1NC(=O)CN1C(=O)NC3(CCCC3)C1=O)oc1ccccc12 3611987 GKEFQXCNJSJXMO-UHFFFAOYSA-N 407.426 3.398 0 40 HGAB CC(C)(C)NC(=O)Cn1c(SCC(=O)NCc2cccs2)nc2ccccc21 4093012 XNQRPSZVNIMMRP-UHFFFAOYSA-N 416.572 3.421 0 40 HGAB CCc1ccc2[nH]c(=O)c(CN(CCO)C(=S)NCCc3ccccc3)cc2c1 4131977 AGPXFZBCBROHIL-UHFFFAOYSA-N 409.555 3.002 0 40 HGAB CCn1c(CC(=O)Nc2ccc(C)cc2C)nnc1SCC(=O)NC1CCCC1 4736003 PFJPIFMQDRTCPG-UHFFFAOYSA-N 415.563 3.247 0 40 HGAB CCCn1c(C)c(C)n2c3c(=O)n(Cc4c(F)cccc4Cl)c(=O)n(C)c3nc12 4912474 RFQOIAZDHDUMLO-UHFFFAOYSA-N 417.872 3.017 0 40 HGAB COc1ccc(CCN[C@H](CC(=O)Nc2ccc(C)c(Cl)c2)C(=O)O)cc1OC 4939673 KJRORLHNNZHEQM-QGZVFWFLSA-N 420.893 3.280 0 40 HGAB Cc1cn2c3c(=O)n(Cc4cccc5ccccc45)c(=O)n(C)c3nc2n1C(C)C 4940401 XACNKQVEHHPEHS-UHFFFAOYSA-N 401.470 3.240 0 40 HGAB CCOC(=O)c1cnc(SCC(=O)Nc2cccc(Cl)c2Cl)nc1N 5969583 QVJBWEFQVCWHIN-UHFFFAOYSA-N 401.275 3.273 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(Oc2ccc(C)cc2)c(N[C@H](C)C(N)=O)c1 6831669 TUKOFBXLJKBWTP-OAHLLOKOSA-N 405.520 3.104 0 40 HGAB Cc1ccc(C)c(NC(=O)c2nnn(CC(=O)Nc3ccc(C(C)C)cc3)c2N)c1 6999952 BDQRSKBWGKGGFE-UHFFFAOYSA-N 406.490 3.492 0 40 HGAB O=C(CN1C[C@H](C(=O)N2CCCCC2)Oc2ccccc21)Nc1ccc(F)cc1F 7251798 GEXZYFVHWYHXFJ-HXUWFJFHSA-N 415.440 3.183 0 40 HGAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)OCc1cc(=O)n2cc(C)ccc2n1 7315588 RAQBNIKHRZNQJR-HXUWFJFHSA-N 403.438 3.010 0 40 HGAB COc1ccc(Cl)cc1N1C[C@H](C(=O)Nc2ccc(NC(C)=O)cc2)CC1=O 7881899 DUBNSEYUINRVEK-CYBMUJFWSA-N 401.850 3.299 0 40 HGAB CN1CCN(C(=S)c2ccc(OCC(=O)Nc3ccccc3)c(Cl)c2)CC1 8091785 KSLKNRDIAQMUDB-UHFFFAOYSA-N 403.935 3.280 0 40 HGAB Cc1cc(CSc2ccccc2C(=O)OCC(=O)N2C[C@@H](C)O[C@H](C)C2)on1 8478081 FNRSLVRTMOKYNH-HUUCEWRRSA-N 404.488 3.068 0 40 HGAB O=C1[C@@H]2[C@@H]3O[C@@H]([C@H]4ON=C(/C=C/c5ccccc5)[C@H]43)[C@@H]2C(=O)N1c1ccc(Cl)cc1 9242726 LEZSBENRSSBEQA-WOPRERLWSA-N 420.852 3.311 0 40 HGAB O=C(CCc1nc2ccccc2c(=O)[nH]1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 9255910 KWMTYJDAQRPZHT-LJQANCHMSA-N 419.481 3.381 0 40 HGAB Cc1ccc(C(=O)C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2C)cc1 9256353 LXOQZVAEPOOXKF-UHFFFAOYSA-N 400.500 3.299 0 40 HGAB Cc1ccc(-c2cc(-c3nnc(SCC(=O)Nc4ccc(F)cc4)n3N)[nH]n2)cc1 9510385 SZOCCRAIYFKTOE-UHFFFAOYSA-N 423.477 3.227 0 40 HGAB Cc1cc(C)n(-c2nc3c(c(=O)n2CC(=O)Nc2ccc(C)c(Cl)c2)CCC3)n1 9520913 NUPYLROUCRICSF-UHFFFAOYSA-N 411.893 3.135 0 40 HGAB Cc1oc(-c2ccccc2)nc1C(=O)OCc1cccc(S(=O)(=O)N(C)C)c1 9718020 KYTYUDYHLAOMIB-UHFFFAOYSA-N 400.456 3.257 0 40 HGAB COc1ccc(Cl)cc1C(=O)Nn1cnc2c(cnn2-c2ccc(C)c(C)c2)c1=O 10252059 KSDJRECZOSYBTL-UHFFFAOYSA-N 423.860 3.245 0 40 HGAB COC(=O)c1ccc(C(=O)NCCc2cc(OC)c(OC)cc2Br)cc1 10455852 RGKYZHWFZWKLGX-UHFFFAOYSA-N 422.275 3.225 0 40 HGAB Cc1cccc(C)c1NC(=O)[C@H](C)N1CCC(NS(=O)(=O)c2cccs2)CC1 11720067 PWOJIMISVLUGQM-INIZCTEOSA-N 421.588 3.135 0 40 HGAB CCOC(=O)c1ccc(NC(=O)[C@@H](CC(C)C)N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)cc1 12492165 JISFDOMZXOEMIN-PPLKHSGQSA-N 424.497 3.024 0 40 HGAB CCCc1cc(C(=O)N(Cc2ccccc2)Cc2nc3ccccc3c(=O)[nH]2)[nH]n1 12535378 WUKFTVREDTVIKN-UHFFFAOYSA-N 401.470 3.441 0 40 HGAB O=C(NCCC1=CCCCC1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 12756874 UCTLNQATYDHVCP-UHFFFAOYSA-N 411.955 3.246 0 40 HGAB Cc1ccc(C(=O)N(C)c2ccc(OS(=O)(=O)c3sc(=O)[nH]c3C)cc2)cc1 12787041 ORHNBZFRVYVTOW-UHFFFAOYSA-N 418.496 3.098 0 40 HGAB CCCn1nc(C(=O)O[C@H](C)C(=O)c2[nH]c(C)c(C(C)=O)c2C)c2ccccc2c1=O 12974856 GFGZDCFGXMFRQM-OAHLLOKOSA-N 423.469 3.382 0 40 HGAB O=C(NCc1ccccc1OC(F)(F)F)NC1CCN(C(=O)c2ccco2)CC1 12982132 KBMBSSXRNAMMRB-UHFFFAOYSA-N 411.380 3.282 0 40 HGAB CNC(=O)c1cccc(NC(=O)COC(=O)c2ccc3[nH]c4c(c3c2)C[C@H](C)CC4)c1 13005220 SDTIPFKZTNAOKH-CQSZACIVSA-N 419.481 3.448 0 40 HGAB CCN1C[C@@H](CN(C)Cc2nc(-c3ccc(OC)c(OC)c3)no2)Oc2ccccc21 16423468 XADONMJIQNKGTJ-QGZVFWFLSA-N 424.501 3.473 0 40 HGAB CCOC(=O)C1CCN(C(=O)c2ccc(OCc3cn4ccccc4n3)cc2)CC1 17170137 GXRXIMYDZMALHC-UHFFFAOYSA-N 407.470 3.329 0 40 HGAB Cn1c(C(=O)N2CCN(c3nnc(C(F)(F)F)s3)CC2)cc2cc(F)ccc21 19289765 OVXOOXXRHOBBOF-UHFFFAOYSA-N 413.400 3.150 0 40 HGAB Fc1ccc(OCCN2CCC[C@@H]([C@@H]3C[C@H](C(F)(F)F)n4ncnc4N3)C2)cc1 19335940 GJAXCHXPNKGDKI-XOKHGSTOSA-N 413.419 3.496 0 40 HGAB CNc1cc(CN(C)C(C)=O)nc([C@H]2CCCN2C(=O)c2cccc3ncccc23)n1 19760511 OEQXOJKZTYHUCL-HXUWFJFHSA-N 418.501 3.022 0 40 HGAB CN(Cc1ccccc1)[C@H]1CC(=O)N(c2ccc(I)cc2)C1=O 19832333 UXYHRWKZHDJGPW-INIZCTEOSA-N 420.250 3.055 0 40 HGAB C[C@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)N1CCN(C)CC1 19894395 CPWBSRYUSKZUPH-ZDUSSCGKSA-N 410.465 3.417 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cc(F)ccc3C)CC2)cc1C 20016694 UGGMIWFHRBQGPB-UHFFFAOYSA-N 420.506 3.491 0 40 HGAB CCOC(=O)c1ccc(NC(=O)c2ccc3c(c2)C[C@H](C)N3S(=O)(=O)CC)cc1 20449141 WVSHZIXEMVFQHP-AWEZNQCLSA-N 416.499 3.216 0 40 HGAB COC(=O)C[C@@H](NC(=O)[C@@H]1Cc2ccccc2S1)c1ccc(OC)c(OC)c1 21442579 JFLRITBIFAWINU-BEFAXECRSA-N 401.484 3.141 0 40 HGAB O=C(CN1CCN(Cc2ccc3c(c2)OCO3)CC1)Nc1cccc(Cl)c1Cl 21847475 USNYPMOFDVYKFA-UHFFFAOYSA-N 422.312 3.478 0 40 HGAB COc1ccc(-c2noc(CN3CCN(C(=O)/C=C/c4ccc(C)cc4)CC3)n2)cc1 22603968 ANVRDCSBPYYDPT-KPKJPENVSA-N 418.497 3.411 0 40 HGAB COc1ccccc1-c1nn(Cc2ccccc2)cc1CNCCN1CCOCC1 22774270 GBSBIKKHOCEQQG-UHFFFAOYSA-N 406.530 3.029 0 40 HGAB CCc1ccc(Cn2nccc2NC(=O)[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)cc1 23056162 PYMVLUYHDXJHPJ-LJQANCHMSA-N 418.497 3.494 0 40 HGAB O=C(/C=C/c1ccc2c(c1)OCCO2)N1CCN(Cc2nc3ccccc3s2)CC1 23873438 HNJVWEOPAZLZCQ-SOFGYWHQSA-N 421.522 3.425 0 40 HGAB C[C@H](NC(=O)c1ccc(S(=O)(=O)NCCc2cccs2)cc1)c1ccncc1 24541924 ZAXBEHFYCMDSCE-HNNXBMFYSA-N 415.540 3.155 0 40 HGAB CC(C)c1ccccc1-n1c(SCC(=O)N2CCNC2=O)nc2ccccc2c1=O 24907531 WVHFONZKEZDFBU-UHFFFAOYSA-N 422.510 3.153 0 40 HGAB CCS(=O)(=O)c1ccc(O)c(NC(=O)c2cc(C(C)C)nc3c2c(C)nn3C)c1 25321347 HHWIZRVYXVPMLS-UHFFFAOYSA-N 416.503 3.152 0 40 HGAB CN(C)[C@H](CNC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1)c1ccco1 33024261 PMKITWPSEALRFT-MRXNPFEDSA-N 419.528 3.175 0 40 HGAB COc1ccc(N([C@@H](C)C(=O)N[C@H](C)c2ccc(C)cc2C)S(C)(=O)=O)cc1 36067609 AURDZEPFQXJYTQ-SJORKVTESA-N 404.532 3.344 0 40 HGAB O=S(=O)(c1ccc(Br)s1)N1CCN(CCc2ccccc2)CC1 36385136 QXIHOAXAIPDQCO-UHFFFAOYSA-N 415.378 3.060 0 40 HGAB CCOc1ccc(S(=O)(=O)NCCCN2CCO[C@H](c3ccccc3)C2)cc1C 36700305 YAZOCIPNJPNOHA-QFIPXVFZSA-N 418.559 3.136 0 40 HGAB O=C(/C=C/c1cccs1)N1CCN(c2ccc(-c3ccc4c(c3)OCO4)nn2)CC1 38488091 DMSKZZCESBUHHW-XBXARRHUSA-N 420.494 3.296 0 40 HGAB COc1cc(C(=O)O)c(NS(=O)(=O)c2cc(F)ccc2F)cc1OC(F)F 40115200 FRIALNFLWSKPCM-UHFFFAOYSA-N 409.313 3.074 0 40 HGAB O=S(=O)(c1ccc(CN(Cc2cccs2)C[C@@H]2CCCO2)o1)N1CCCC1 40115560 LIGQDGWSLQFLCI-INIZCTEOSA-N 410.561 3.307 0 40 HGAB CC(C)c1ccc(-c2ccc(=O)n(CCC(=O)NCc3ccc4c(c3)OCO4)n2)cc1 41255218 MGRINONTNSFHQK-UHFFFAOYSA-N 419.481 3.469 0 40 HGAB CC(C)(C)OC(=O)N(C1c2ccccc2Oc2ccccc21)[C@H](CC(N)=O)C(=O)O 45331614 OHSROBZBMVIUMC-OAHLLOKOSA-N 412.442 3.447 0 40 HGAB Cc1nn(-c2ccc(C(F)(F)F)cn2)c(C)c1CC(=O)NCCN1CCC(C)CC1 48287436 LQLCFZFSMRIRQN-UHFFFAOYSA-N 423.483 3.294 0 40 HGAB Cc1ccc(Cl)cc1-n1ncc2c(=O)n(CC(=O)Nc3cccc(F)c3)cnc21 57428303 FEJRORSWODNNMM-UHFFFAOYSA-N 411.824 3.322 0 40 HGAB Cc1nc(-c2nc[nH]n2)sc1C(=O)Nc1ccc(Oc2ccccc2C(N)=O)cc1 72306429 ILZZDQVPPDVOEJ-UHFFFAOYSA-N 420.454 3.380 0 40 HGAB O=C(NCCc1nc(-c2ccc(Cl)cc2)cs1)[C@H](c1ccccc1)n1cnnn1 79476449 UGDXYHLCMWTWSW-IBGZPJMESA-N 424.917 3.398 0 40 HGAB CC(C)(C)c1csc(CCNC(=O)[C@H]2CCCN(c3ccc(Cl)nn3)C2)n1 79486892 XYGKYWPJAHAKTQ-ZDUSSCGKSA-N 407.971 3.459 0 40 HGAB Cc1ccc(CN2CCCn3c(nc(CNC(=O)c4ccsc4)cc3=O)C2)s1 96059651 PXFXUGCAOUTXBJ-UHFFFAOYSA-N 414.556 3.011 0 40 HGAB Cc1sc(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)c(C(=O)NC2CCCC2)c1C 102341887 AKDBQQILZLOGFY-CLROSIBMSA-N 402.516 3.499 0 40 HGAB COC(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccc(Br)cc1 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CCOc1ccc(NC(=O)COc2ccc(S(=O)(=O)N3CCCC3)cc2C)cc1 408530270 JUQZAWTUUVGQBV-UHFFFAOYSA-N 418.515 3.196 0 40 HGAB CS(=O)(=O)N(CC(=O)NC(c1ccccc1)c1ccccc1)c1ccccc1F 408621600 SRHLHKMEHXURGM-UHFFFAOYSA-N 412.486 3.498 0 40 HGAB Cc1cc2nc3s/c(=C\c4ccc(OCC(=O)O)c(Cl)c4)c(=O)n3c2cc1C 408844072 BTALMOFUJNETKA-IUXPMGMMSA-N 414.870 3.191 0 40 HGAB O=C1N/C(=C\c2ccc(O)c(I)c2)C(=O)N1C1CCCCC1 409088160 DYCMXGGKNFELQT-LCYFTJDESA-N 412.227 3.222 0 40 HGAB O=C1[C@H]2[C@H]3C[C@H]4[C@@H]2[C@@]2(C(=O)Nc5cccc(C(=O)N6CCc7ccccc76)c5)[C@@H]4[C@H]3[C@@H]12 503490040 UZGKUMSDLASOMZ-QCWXUMMYSA-N 410.473 3.155 0 40 HGAB COCc1cn([C@@H]2CCN(C(=O)c3ccc4noc(-c5ccccc5)c4c3)C2)nn1 585149701 RAQQLFSXDKSEOD-GOSISDBHSA-N 403.442 3.320 0 40 HGAB Cc1cc(C)nc(Nc2cc([C@@H]3CCCN(C(=O)/C=C/c4cnc[nH]4)C3)ccn2)n1 585291202 LPRLFRBSRXEKLN-DUMMIQTOSA-N 403.490 3.375 0 40 HGAB CC(=O)N1CCCCCCCN(CC(C)C)Cc2cc(C(=O)N3CC(O)C3)ccc21 643576278 VDRVSVZTQCXUIB-UHFFFAOYSA-N 415.578 3.278 0 40 HGAB 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CCOc1ccc(N2C(=O)N(c3cccc(Cl)c3)[C@H]3CS(=O)(=O)C[C@@H]32)cc1 4510345 XCRNOGFWVPAVHH-ROUUACIJSA-N 406.891 3.351 0 40 HGAB COc1ccc(S(=O)(=O)N(CC(=O)NCC(C)C)c2ccc(Cl)cc2)cc1 4551692 CCGMPUJLBMJUMP-UHFFFAOYSA-N 410.923 3.316 0 40 HGAB C[C@@H](Oc1ccccc1)c1nnc(SCC(=O)Nc2ccc3c(c2)OCO3)n1C 4816311 ALYCVWKIZZNVCJ-CYBMUJFWSA-N 412.471 3.415 0 40 HGAB CC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc(OC(F)(F)F)cc3)ccc21 4884390 INTITAQLABZCIL-UHFFFAOYSA-N 400.378 3.295 0 40 HGAB CC(C)(C)NC(=O)[C@H](c1cccs1)N(Cc1ccco1)C(=O)c1csnn1 4890266 GYYDNWMVORWXBB-HNNXBMFYSA-N 404.517 3.491 0 40 HGAB Cc1ccc(NC(=O)C[S@](=O)CC(=O)Nc2ccc3c(c2)CCC3)cc1Cl 4907129 QRGZSBKBNQLAJE-MHZLTWQESA-N 404.919 3.463 0 40 HGAB CC(=O)c1ccc(NC(=O)C2CCC(Cn3nnc4ccccc4c3=O)CC2)cc1 5324642 LAXPJJOEUPOSFE-UHFFFAOYSA-N 404.470 3.439 0 40 HGAB COc1cc(CC(=O)OCC(=O)c2ccc(OC(F)F)cc2)cc(OC)c1OC 5475656 AEEHGXBUVGLIOW-UHFFFAOYSA-N 410.369 3.282 0 40 HGAB O=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)N(c1ccccn1)c1ccccn1 6244437 LSSUXAGBQAXFGD-UHFFFAOYSA-N 408.483 3.240 0 40 HGAB C[C@@H](Sc1nnc(-c2ccc(F)cc2)n1N)C(=O)N[C@H]1CCCc2ccccc21 6532646 ZRSLGEPNQQDJJD-ACJLOTCBSA-N 411.506 3.472 0 40 HGAB Cc1cc(I)cnc1NC(=S)NC(=O)c1cccs1 6572509 ATXKYUSRABNDRF-UHFFFAOYSA-N 403.270 3.183 0 40 HGAB COc1ccc(CC[C@@]2(C)NC(=O)N(CC(=O)Nc3ccc4c(c3)CCC4)C2=O)cc1 6589151 UWROPDMHEPHOQD-XMMPIXPASA-N 421.497 3.066 0 40 HGAB O=C(Nc1ccccc1)C1CCN(C(=O)c2cccc(CN3CCCC3=O)c2)CC1 7073745 BQZFNJJDLUAZCV-UHFFFAOYSA-N 405.498 3.300 0 40 HGAB Cc1ccc(CN(C)C(=O)CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)o1 7320183 PFSJGAQXCAGJRX-UHFFFAOYSA-N 417.465 3.042 0 40 HGAB CCCCNS(=O)(=O)c1ccc(OCC(=O)N2CCC(C)CC2)c(Cl)c1 7604516 JHOUTBVYGVFWDQ-UHFFFAOYSA-N 402.944 3.056 0 40 HGAB O=C(O)c1ccc2c(=O)[nH]c(CSc3nnc4sc5ccccc5n34)nc2c1 7738619 VVWXQSJDKSJQHW-UHFFFAOYSA-N 409.452 3.171 0 40 HGAB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc([N+](=O)[O-])cc3)C2=O)cc1 8157488 MOXORWARHTVLHR-MHWRWJLKSA-N 413.411 3.278 0 40 HGAB Cc1ccccc1-n1c(SCc2cn3ccccc3n2)nnc1N1CCOCC1 8159438 PQCZUYFILHDOHX-UHFFFAOYSA-N 406.515 3.352 0 40 HGAB 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HGAB CC[C@@H]1CCCCN1CCCNC(=O)c1ccc(NS(C)(=O)=O)cc1Cl 20460734 NDUVQOXDRNPWJT-OAHLLOKOSA-N 401.960 3.096 0 40 HGAB C[C@]1(Cc2ccc3c(c2)OCO3)NC(=O)N(Cc2cccc(C(F)(F)F)c2)C1=O 21585897 YYPBJVGOGNSWKF-LJQANCHMSA-N 406.360 3.487 0 40 HGAB C[C@H](C(=O)Nc1ccc(F)cc1Cl)N1CCN(Cc2ccc3c(c2)OCO3)CC1 22877722 CAIUPXHXPQBOBL-CQSZACIVSA-N 419.884 3.353 0 40 HGAB O=C(Nc1ccc(S(=O)(=O)C(F)F)cc1)c1ccc(OC[C@H]2CCCO2)cc1 22917204 XROFGKJIFNMHMB-MRXNPFEDSA-N 411.426 3.493 0 40 HGAB O=C1c2ccccc2N2C(=O)CC[C@]2(C(=O)NC2CCCCC2)N1Cc1ccco1 23054938 ASCWORPWPHOQKK-QHCPKHFHSA-N 407.470 3.208 0 40 HGAB Cc1ccc(-c2nnc(CCC(=O)NCc3ccccc3CN3CCOCC3)o2)cc1 23872930 BIRCJQGJJZXKJJ-UHFFFAOYSA-N 420.513 3.126 0 40 HGAB O=C(c1ccco1)N1CCC[C@@H](C(=O)N2CCN(c3cccc(Cl)c3)CC2)C1 25432819 YZVLZRMREWNKSD-MRXNPFEDSA-N 401.894 3.134 0 40 HGAB CC(C)[C@H](CNC(=O)COc1ccc2c(c1)CCC(=O)N2)N1CCc2ccccc2C1 25919244 XIQBCAATYUFTMC-QHCPKHFHSA-N 421.541 3.149 0 40 HGAB COc1cc2c(cc1OC)-c1c(c(C(=O)Nc3nnc(CC(C)C)s3)nn1C)C2 31810733 XFHFVUVGDSBQAA-UHFFFAOYSA-N 413.503 3.311 0 40 HGAB COc1ccc([C@@H]2c3cc4c(cc3O[C@H](N3CCOCC3)[C@H]2C)OCO4)cc1OC 31860833 ZPZCSHSXNVEFPP-SBQFXOPASA-N 413.470 3.251 0 40 HGAB Cc1nn(COc2ccc(F)cc2F)c(C)c1NC(=O)[C@H]1CC=CC[C@H]1C(=O)O 32610396 VXORVLAZXAUUGN-LSDHHAIUSA-N 405.401 3.420 0 40 HGAB Cc1nc(C(=O)NC[C@H](c2cccc(F)c2)N(C)C)nn1-c1ccc(Cl)cc1 32729820 BLZXOUWZDNKXOQ-GOSISDBHSA-N 401.873 3.401 0 40 HGAB CC(=O)N[C@@H](CC(=O)N1CCC[C@H](c2nnc3n2CCCCC3)C1)c1ccc(C)cc1 32760572 RCBLGIOPVYSOJL-SFTDATJTSA-N 423.561 3.286 0 40 HGAB CCCC1(CCC)NC(=O)N(CC(=O)N[C@H](C)c2ccc(OC(F)F)cc2)C1=O 32764628 DXKUCOSRLICWAP-CYBMUJFWSA-N 411.449 3.356 0 40 HGAB COc1ccc(C(=O)N(C)[C@H]2CCc3ccccc32)cc1S(=O)(=O)NC(C)C 32905705 DRUDTPLKHCVORB-SFHVURJKSA-N 402.516 3.141 0 40 HGAB COc1ccc(C(=O)CSc2nnc(CNC(=O)c3ccc(C)cc3)n2C)cc1 33658111 JDKHEMIBPDDMLK-UHFFFAOYSA-N 410.499 3.037 0 40 HGAB Cc1cc(C)c(S(=O)(=O)NCC(=O)N2CCC(Cc3ccccc3)CC2)c(C)c1 35119436 KVPLLGYLPHWLMB-UHFFFAOYSA-N 414.571 3.371 0 40 HGAB CCOC(=O)[C@H](NC(=O)c1ccccc1)c1nnc(C(F)(F)c2ccccc2)o1 35671002 AXJJHHKFKUHSBB-OAHLLOKOSA-N 401.369 3.244 0 40 HGAB COc1ccc(-c2cc(C(=O)N[C@@H](C)c3cnn(C)c3C)c3cnn(C)c3n2)cc1 36613495 CTAIJDJJGFCQAY-ZDUSSCGKSA-N 404.474 3.177 0 40 HGAB CCN1CCN(c2ccccc2NC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)CC1 39980486 VNNVHJAAUDGLLK-UHFFFAOYSA-N 416.566 3.414 0 40 HGAB CC1CCC(NC(=O)CN2C(=O)N[C@](C)(c3ccccc3C(F)(F)F)C2=O)CC1 40116584 JPORBSJUMWYKGI-PNQRNNEWSA-N 411.424 3.167 0 40 HGAB O=C(NCc1ccc2c(c1)OCO2)c1nc(NCCc2ccccc2)ncc1Cl 40128048 OAEMBWVFFSHYFI-UHFFFAOYSA-N 410.861 3.443 0 40 HGAB COc1cccc(C[C@H](C(=O)N(C)Cc2ccc([C@H]3C[C@@H]3C)o2)n2nnnc2C)c1 48264847 MXDUKJKTGYEGMU-PNHOKKKMSA-N 409.490 3.149 0 40 HGAB NC(=O)[C@@H]1CN(c2nc(-c3cccs3)nc3scc(-c4ccccc4)c23)CCN1 57290285 AOOAJLXZDQFSOI-HNNXBMFYSA-N 421.551 3.350 0 40 HGAB CCN(C(=O)CSc1nc2ccsc2c(=O)n1CCOC)c1ccccc1 57425712 VGJHXKCTLOQUKF-UHFFFAOYSA-N 403.529 3.250 0 40 HGAB Cc1ccccc1-n1c(=O)c2sccc2n(CC(=O)Nc2ccccc2F)c1=O 57489731 BHYDZAYEELNBRP-UHFFFAOYSA-N 409.442 3.300 0 40 HGAB O=C(NCc1ccc(-n2cncn2)nc1)Nc1cccc(COCc2ccco2)c1 58050376 QDAPNMGHJAPKIL-UHFFFAOYSA-N 404.430 3.294 0 40 HGAB COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)NCc1cccnc1)C(=O)OC2 62001495 WTWIRJOQIFLBSO-MKMNVTDBSA-N 410.470 3.360 0 40 HGAB biogenic Cc1cc2nc(SCC(=O)Nc3ccc(N(C)C)cc3)n(CC(C)C)c(=O)c2[nH]1 67237594 YQMHVYGFVFBMGW-UHFFFAOYSA-N 413.547 3.486 0 40 HGAB Cc1cc(C)c(NC(=O)Cn2c(-c3cccc(F)c3)nc(C)c(CCO)c2=O)c(C)c1 67316755 SKVABWUPNOCZGR-UHFFFAOYSA-N 423.488 3.457 0 40 HGAB COc1cccc(CNC(=O)c2cn(-c3cc(-c4nc(C(C)C)no4)ccn3)cn2)c1 71768489 UHVQVSGORVRIIO-UHFFFAOYSA-N 418.457 3.379 0 40 HGAB COCCOc1ccc(NC(=O)N(CC(C)C)C[C@@H](O)c2ccc(F)cc2)cn1 72289086 FONAVWAJMJKYEU-LJQANCHMSA-N 405.470 3.469 0 40 HGAB O=C(OCc1ccccc1)N1CCC[C@H](S(=O)(=O)N[C@@H]2CCc3ccccc32)C1 78876410 YBMKDDYMCUSUAF-PZJWPPBQSA-N 414.527 3.395 0 40 HGAB COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCc2c[nH]cn2)cc1OC 78878701 ZBHWIDONTZTHHN-UHFFFAOYSA-N 403.442 3.210 0 40 HGAB O=C(c1cccc(NS(=O)(=O)c2cccs2)c1)N1CCOCC2(CCC2)C1 95940192 VJKKUNRAZNHWLY-UHFFFAOYSA-N 406.529 3.192 0 40 HGAB CC[C@H](NS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O)c1ccc(Cl)cc1 95942000 JFNLSGXHHBLHOJ-SFHVURJKSA-N 420.918 3.397 0 40 HGAB O=C(COc1ccc(Cl)cc1Cl)N1CC(S(=O)(=O)C2CCCCC2)C1 96104365 SEKRETDMLQCELK-UHFFFAOYSA-N 406.331 3.331 0 40 HGAB O=C(NCCn1nc(-c2ccncc2)c2c1CCCC2)c1cc2ccccc2oc1=O 96121460 OSZNGMBBQDISSV-UHFFFAOYSA-N 414.465 3.360 0 40 HGAB CCc1noc(C)c1C(=O)NC[C@H]1CC[C@H](c2nnc(-c3cnc(C)cn3)o2)CC1 100156169 GQRRCCDVQMULBA-GASCZTMLSA-N 410.478 3.398 0 40 HGAB O=C(Nc1ccc(F)cc1)[C@@H](Cc1ccccc1)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 102087347 REJQFAZLCHIQCS-ZNRKGROKSA-N 404.441 3.183 0 40 HGAB COC(=O)[C@@H]1[C@H]2NC(=S)N(c3ccc(F)cc3)[C@@]1(C)Oc1c(OC)cccc12 106550066 NSDJSXZOVIYGCV-FTRWYGJKSA-N 402.447 3.168 0 40 HGAB O=C(COC(=O)c1cccc(N2C(=O)[C@H]3CCCC[C@H]3C2=O)c1)Nc1ccccc1 136287145 MOKZCCAMBDHLCI-KDURUIRLSA-N 406.438 3.162 0 40 HGAB CC[C@H](NC(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C)c1ccc(C)c(C)c1 219244569 CFPFJBNKWGJQLR-IBGZPJMESA-N 421.538 3.323 0 40 HGAB O=C(O)c1ccccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCO)o1 223593218 RHHOOODGKJRMNF-OALUTQOASA-N 409.467 3.005 0 40 HGAB CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(C)cn1 223642639 QLKDVURGGOMAQZ-SFTDATJTSA-N 421.526 3.111 0 40 HGAB CCc1ccc(OCCNC(=O)[C@@H](CC)N(c2ccc(F)cc2)S(C)(=O)=O)cc1 224310512 LAVDGHZRGDRUJA-HXUWFJFHSA-N 422.522 3.128 0 40 HGAB COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)N[C@H](C)c1ccc(C)c(C)c1 224530468 YIRUMOQZVATUGO-QGZVFWFLSA-N 418.559 3.372 0 40 HGAB Cc1ccc2c(c1)O[C@H](C(=O)N[C@@H](C)C(C)C)CN2S(=O)(=O)c1ccccc1 225218925 WHOWSNVBTDQYOO-JXFKEZNVSA-N 402.516 3.112 0 40 HGAB CN(C)c1ncc2c(n1)[C@@]1(CCN(Cc3cccc(-c4ccc(F)cc4)n3)C1)COC2 248088111 DWDGASWCAMRNEP-XMMPIXPASA-N 419.504 3.418 0 40 HGAB COc1ccc2c3c1O[C@@H]1[C@]34CCN(C)[C@H](C2)[C@]42C=C[C@@]1(OC)[C@](C)(C(C)(C)O)C2 253503888 AKBVQTSSRCUQMV-RYRWCEQPSA-N 411.542 3.077 0 40 HGAB biogenic,in-vitro COc1ccc(C(=O)N2CCCC[C@@H]2c2nnc(-c3cnc(C)cn3)o2)c(OC)c1 257254493 KDHGYTDLMHWIAX-QGZVFWFLSA-N 409.446 3.220 0 40 HGAB COc1ccc(CN(C)C[C@@]2(O)CCCN(C(=O)c3cc(C(C)C)n[nH]3)CC2)cc1 257273819 NIJANKKIDCLYMT-HSZRJFAPSA-N 414.550 3.031 0 40 HGAB Cc1cc(C)n(CC(=O)N2CCCC[C@H]2c2ncc(Cc3ccccc3)o2)c(=O)n1 257326102 WVVFPGQPZVHIRT-FQEVSTJZSA-N 406.486 3.193 0 40 HGAB CCc1ccc([C@@H](C)NC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cc1 260759703 CZTOQDOPMMDYOR-BFUOFWGJSA-N 422.934 3.307 0 40 HGAB CCN(c1ccc(C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)cc1)S(=O)(=O)CC 260838378 RMPSRLXKRSXNFR-OAHLLOKOSA-N 418.515 3.125 0 40 HGAB COC(=O)COc1c(/C=C2/SC(=O)N(Cc3ccccc3)C2=O)cccc1OC 408534537 SWHBHGKUFCTSMM-GZTJUZNOSA-N 413.451 3.484 0 40 HGAB CCOc1ccccc1NC(=O)[C@@H](C)NS(=O)(=O)c1cc(Cl)ccc1OC 408618945 GXSSNDNPBFZJGX-GFCCVEGCSA-N 412.895 3.053 0 40 HGAB O=C(CN1C(=O)S/C(=C/c2ccsc2)C1=O)N1CCN(c2ccccc2)CC1 409009186 YRMBEGHLUNNQGX-SFQUDFHCSA-N 413.524 3.133 0 40 HGAB COCc1ccc(CNCc2ccc(OCCN3CCOCC3)c(Cl)c2)cc1 531837532 GXHWMIMJOHHHDI-UHFFFAOYSA-N 404.938 3.487 0 40 HGAB O=C(c1cncc(Br)c1)N1CCC[C@H](n2cnc3ccccc3c2=O)C1 575617929 SMQGCWJDHNQMJV-HNNXBMFYSA-N 413.275 3.031 0 40 HGAB CN1CCN(C(=O)Cc2cccc(F)c2)[C@H](Cc2cccc(-c3ccncc3)c2)C1=O 585168987 CCIUIZARQUSKIY-HSZRJFAPSA-N 417.484 3.342 0 40 HGAB O=C(CSc1ccc(F)cc1)N1CC[C@@H](c2ccccc2F)S(=O)(=O)CC1 585394746 DLIAEGYKJWXLKY-SFHVURJKSA-N 411.495 3.445 0 40 HGAB CC(=O)OC[C@]1(CC(=O)N2CCCC2)CCCN1C(=O)/C=C/c1c[nH]c2ccccc12 643586872 HCGYMIQPUIHLBT-HBRDYDSTSA-N 423.513 3.118 0 40 HGAB O=C(Nc1ccccc1)Nc1ccc(C(=O)NCc2nc(-c3ccncc3)n[nH]2)cc1 1570396439 HKMVWCJFBXHKSW-UHFFFAOYSA-N 413.441 3.441 0 40 HGAB COc1cc(OC)cc(C(=O)N2CCC[C@](O)(COc3ccc(F)cc3)CC2)c1 2037912055 DYSIHFCGIACTAT-JOCHJYFZSA-N 403.450 3.279 0 40 HGAB Cc1n[nH]c(C)c1CN1CCCCCc2cc(Cl)ccc2OC[C@@H](O)[C@@H](O)CC1 2037972570 BUKDDLRGMDMGOV-LEWJYISDSA-N 421.969 3.399 0 40 HGAB CCn1c(COc2ccc(OC)cc2)nnc1SCC(=O)Nc1nc(C)cs1 813821 ZPMMUCQUJMFYCG-UHFFFAOYSA-N 419.532 3.381 0 40 HGAB O=C(NCCc1nc2ccccc2[nH]1)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 1775854 BGMSGOZHCCSGJS-UHFFFAOYSA-N 410.433 3.336 0 40 HGAB COc1ccc(NC(=S)N2CCN(C(=S)Nc3ccc(OC)cc3)CC2)cc1 2571213 ZTOZSVXYGZZESC-UHFFFAOYSA-N 416.572 3.415 0 40 HGAB COc1ccc(OC)c(NC(=O)COC(=O)Cc2ccc(Br)cc2)c1 3219299 DUMPDWUMEYXLDE-UHFFFAOYSA-N 408.248 3.191 0 40 HGAB CC(C)(C)NC(=O)NC(=O)COC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 3300727 QTDGAHPZXKAYGC-UHFFFAOYSA-N 420.469 3.320 0 40 HGAB O=C(CN1C(=O)NC2(CCCCCC2)C1=O)NCCc1ccc(Cl)cc1Cl 3592727 GDALUQHAYGNQQD-UHFFFAOYSA-N 412.317 3.297 0 40 HGAB CC1=C(C(=O)OCCSc2ccccc2)[C@@H](c2ccc3c(c2)OCO3)NC(=O)N1 4315246 LWKDAJNOWQAISD-LJQANCHMSA-N 412.467 3.379 0 40 HGAB CCOc1ccc(N2C(=O)N(c3cccc(Cl)c3)[C@H]3CS(=O)(=O)C[C@H]32)cc1 4510344 XCRNOGFWVPAVHH-MSOLQXFVSA-N 406.891 3.351 0 40 HGAB CCOc1ccc([C@H](O)C2CCN(C3=CC(=O)N(c4ccccc4)C3=O)CC2)cc1 4776322 KYYAJDZFCPNFDL-QHCPKHFHSA-N 406.482 3.288 0 40 HGAB CN(C)S(=O)(=O)c1ccc(NC(=O)COc2cc(Cl)cc(Cl)c2)cc1 5038263 CGNMRSVMLSNVDV-UHFFFAOYSA-N 403.287 3.261 0 40 HGAB CCOC(=O)C(=O)Nc1sc2c(c1C(=O)Nc1ccccc1OC)CCCC2 5457394 BOFFZMBNTLIUKR-UHFFFAOYSA-N 402.472 3.389 0 40 HGAB CCCCOc1cccc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCO)c1 6753042 QPEXOHYNEWXCGS-QFIPXVFZSA-N 407.470 3.499 0 40 HGAB CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCCCC3)C2)cc1Cl 7604596 HMRGNFGAQCHXOQ-HNNXBMFYSA-N 414.955 3.152 0 40 HGAB CCN(CC)S(=O)(=O)c1cc(NCC(=O)N2c3ccccc3C[C@@H]2C)ccc1C 7973259 UBOLBHRONSNHKF-KRWDZBQOSA-N 415.559 3.415 0 40 HGAB O=C(CNc1ccc(S(=O)(=O)N2CCCCCC2)cc1)Nc1ccccc1F 7978447 CVIANHGJVYQNDP-UHFFFAOYSA-N 405.495 3.441 0 40 HGAB Cc1nc(N2CCN(S(=O)(=O)c3ccccc3F)CC2)c2c(C)c(C)sc2n1 7983091 PNNIWSANLNJIOS-UHFFFAOYSA-N 420.535 3.267 0 40 HGAB COc1ccc(C(=O)N[C@@H]2CCSc3ccccc32)cc1S(=O)(=O)NC1CC1 8429844 DELXPAPJQPIRHR-MRXNPFEDSA-N 418.540 3.103 0 40 HGAB Cc1ccc(N2C[C@H](C)Cn3c2nc2c3c(=O)n(CCC(C)C)c(=O)n2C)cc1C 8667831 PRYKKCZAMFBHMY-HNNXBMFYSA-N 409.534 3.347 0 40 HGAB Cc1cc(NC(=O)C(=O)NC[C@@H](c2ccsc2)N2CCCC2)c2ccccc2n1 8864300 HNMVKEDGZXMBLS-FQEVSTJZSA-N 408.527 3.497 0 40 HGAB COc1ccccc1CNC(=O)C(=O)NC[C@H](c1ccsc1)N1CCCCCC1 8893647 JCXPRCPIRDOSHC-LJQANCHMSA-N 415.559 3.106 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2nnc(C3CCCCC3)o2)cc1 8894919 ZRYICIYYEGZWPM-QGZVFWFLSA-N 418.519 3.218 0 40 HGAB Cc1ccc(-n2nnnc2SCC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)c(C)c1 8901198 VLKCDIIVEYOLDX-HNNXBMFYSA-N 422.514 3.135 0 40 HGAB CCCNc1nc(SCC)nc2c1cnn2CCNC(=O)c1c(F)cccc1F 8947877 IVLASIQPYBJJAE-UHFFFAOYSA-N 420.489 3.468 0 40 HGAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(C)o3)c(=O)n2[C@@H]1c1ccc(C)cc1 9030782 RCQZVRSRGCHSKE-VOMPUTFMSA-N 422.506 3.008 0 40 HGAB CCn1nc(NS(=O)(=O)c2cccc3nonc23)c2cc3cccc(C)c3nc21 9109111 BFYDCNSKUGQMJB-UHFFFAOYSA-N 408.443 3.250 0 40 HGAB CC(C)c1ccccc1-n1c(SCC(=O)N2CCNC2=O)nnc1-c1cccnc1 9157292 GFABPYDHWBANJU-UHFFFAOYSA-N 422.514 3.097 0 40 HGAB COc1ccc(CCS(=O)(=O)Nc2ccc3c(c2)OCC(C)(C)C(=O)N3)cc1 9169228 NNGWLALWZVCPFF-UHFFFAOYSA-N 404.488 3.037 0 40 HGAB COC(=O)c1ccc(NC(=O)CSc2ncnc3c2cnn3-c2ccccc2)cc1 9318914 PDVZMFWDRGMHIE-UHFFFAOYSA-N 419.466 3.333 0 40 HGAB O=C1S/C(=C\c2ccc(F)cc2)C(=O)N1CCC(=O)N1CCCC[C@H]1CCO 9348734 QJBDEZQACHHZLS-MUBYSKIDSA-N 406.479 3.016 0 40 HGAB COC(=O)c1ccc(NC(=O)c2nn(-c3ccc(Cl)cc3)c(C)cc2=O)s1 9386545 YILOCGMDLYNALV-UHFFFAOYSA-N 403.847 3.295 0 40 HGAB Cc1nc2c(cnn2C(C)C)cc1C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1 10447903 GZGSIRGAJXFWSC-UHFFFAOYSA-N 415.519 3.260 0 40 HGAB O=S(=O)(NC1CC1)c1cccc(NS(=O)(=O)c2c(Cl)cccc2Cl)c1 10518300 QNJKCEGMSCICIU-UHFFFAOYSA-N 421.327 3.235 0 40 HGAB O=C(COC(=O)c1ccc(COc2ccccc2)o1)NC(=O)NCc1ccccc1 10562331 FDEHGUBNMKJIHW-UHFFFAOYSA-N 408.410 3.041 0 40 HGAB Nc1c(-c2nc(-c3ccc(Br)cc3)no2)nnn1-c1ccccc1F 11691832 VUNWBWXYLJGJER-UHFFFAOYSA-N 401.199 3.468 0 40 HGAB COc1ccc(NC(=O)CSc2ccc(NC(=O)c3ccccc3)nn2)c(OC)c1 11696290 MUNCGUKKSHTVAA-UHFFFAOYSA-N 424.482 3.477 0 40 HGAB CCN(CC)C(=O)Cn1c([C@H]2CC(=O)N(c3ccccc3OC)C2)nc2ccccc21 12062137 ISARWXUTAGOFAF-KRWDZBQOSA-N 420.513 3.434 0 40 HGAB COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1 12557101 KMUSRVQUURQSDA-UHFFFAOYSA-N 417.361 3.079 0 40 HGAB COc1ccc(NC(=O)[C@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)c(OC)c1 12786951 SYBYGVLADMSCQM-IBGZPJMESA-N 420.531 3.344 0 40 HGAB Cc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1Cl 12821250 QMRDNMWQDATGBA-UHFFFAOYSA-N 424.906 3.069 0 40 HGAB C[C@@H]1CCc2[nH]c3ccc(C(=O)N[C@H](C)c4ccc(S(N)(=O)=O)cc4)cc3c2C1 12974248 SJNXVNQXATWRDI-ZIAGYGMSSA-N 411.527 3.431 0 40 HGAB C[C@]1(c2ccc(OC(F)F)cc2)NC(=O)N(Cc2nnc(-c3ccccc3)o2)C1=O 13057909 JMLRKLYVTQEDTC-HXUWFJFHSA-N 414.368 3.305 0 40 HGAB COc1cc(C2=N/C(=C\c3cnn(-c4ccccc4)n3)C(=O)O2)ccc1OC(F)F 14242776 XCMOBDHNVUYPPT-GDNBJRDFSA-N 412.352 3.222 0 40 HGAB Cc1ccsc1C(=O)N1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 14693868 DNFUSAXGGZUVKZ-UHFFFAOYSA-N 418.462 3.222 0 40 HGAB CC(=O)N1CCN(c2ccccc2NC(=S)NC(=O)c2ccc(C)c(C)c2)CC1 17088588 NUOYTTAGJAQIAG-UHFFFAOYSA-N 410.543 3.099 0 40 HGAB Cc1ccc(NC(=O)CN2CCN(C(=O)CCC(=O)c3cc(C)ccc3C)CC2)cc1 18133452 ZFMYUOUKRFZALZ-UHFFFAOYSA-N 421.541 3.358 0 40 HGAB CC(=O)Nc1ccc(OCC(=O)N(C)Cc2nc(C)ncc2-c2cc(C)no2)cc1C 19570908 SVMZGINKHWHHTG-UHFFFAOYSA-N 423.473 3.053 0 40 HGAB NC(=O)c1cccc(-c2ccc([C@@H]3CN(C(=O)Cc4ccc(F)cc4)CCO3)nc2)c1 19692526 LOJWNFOXEDIPEV-QFIPXVFZSA-N 419.456 3.129 0 40 HGAB Cc1c(-c2ccnc3cc(C(=O)N[C@@H](C)COc4ccc(Cl)cc4)nn23)cnn1C 19719016 XHWADUCVAXNDQA-ZDUSSCGKSA-N 424.892 3.289 0 40 HGAB O=S(=O)(c1ccc(Br)s1)N1CCN(Cc2ccccc2)CC1 20357457 DSTLVZMSJNHSOR-UHFFFAOYSA-N 401.351 3.017 0 40 HGAB Cc1nnc2sc(-c3ccc(CNC(=O)c4ccc(Br)o4)cc3)nn12 20427353 KWHSRAFFJQYGOC-UHFFFAOYSA-N 418.276 3.447 0 40 HGAB O=C(CN1CCN(Cc2nnc(-c3ccccc3)o2)CC1)Nc1ccccc1Cl 20804413 JBPZKKVZMTUIKC-UHFFFAOYSA-N 411.893 3.146 0 40 HGAB CCN1CCN([C@H](c2ccccc2)c2sc3nc(-c4ccco4)nn3c2O)CC1 22577357 NCZPAWOJEDZLSZ-QGZVFWFLSA-N 409.515 3.483 0 40 HGAB Cc1ccc(Nc2nc(N)nc(CN3CCN(C/C=C/c4ccccc4)CC3)n2)cc1 22812442 AVNQQNLYJUQWBH-VMPITWQZSA-N 415.545 3.337 0 40 HGAB CC(C)(CNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1)N1CCOCC1 23466478 WBWADLLKNGUCBS-UHFFFAOYSA-N 404.514 3.380 0 40 HGAB O=C(NCc1ccccc1CN1CCOCC1)c1ccc(OCc2cscn2)cc1 23873373 HVOMQSYDYZSDNB-UHFFFAOYSA-N 423.538 3.484 0 40 HGAB CCCN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)CCc1cc(OC)ccc1OC 24865718 YPIHNYOWUPHCJM-UHFFFAOYSA-N 415.515 3.373 0 40 HGAB COc1ccc(CCNCc2cc3c(C)nn(-c4ccccc4)c3[nH]c2=O)cc1OC 26440775 DNSLIJHRXLFQHG-UHFFFAOYSA-N 418.497 3.372 0 40 HGAB CC[C@@H](C)c1ccccc1N1C[C@@H](C(=O)N2CCN(C(=O)c3ccco3)CC2)CC1=O 27155784 ACBWCWMWKKCMRE-MSOLQXFVSA-N 423.513 3.131 0 40 HGAB Cc1ccc(C)c(S(=O)(=O)Nc2ccccc2C(=O)NCCc2ccccn2)c1 28872452 HCDQEQPZAUDQEK-UHFFFAOYSA-N 409.511 3.472 0 40 HGAB C[C@@H](CNC(=O)C[C@@H](NC(N)=O)c1ccc(Br)cc1)c1ccccc1 32795965 AGHMIKIRVIJGQK-SUMWQHHRSA-N 404.308 3.469 0 40 HGAB CC(C)CC(=O)Nc1ccc(NCc2nnc3n(C)c(=O)c4ccccc4n23)cc1 32909073 YWMKMDNIWVMWCZ-UHFFFAOYSA-N 404.474 3.178 0 40 HGAB C[C@H]1CCCN(C(=O)CSc2nc3ccccc3n2CC(=O)NC(C)(C)C)C1 35312069 UVHYTCSEYYYCHQ-HNNXBMFYSA-N 402.564 3.302 0 40 HGAB COc1ccc([C@H]2[C@H](C(=O)Nc3nnc(C)s3)c3ccccc3C(=O)N2C)cc1 36352608 OLNYFBWQNDSHJB-MSOLQXFVSA-N 408.483 3.404 0 40 HGAB CC(C)(C)NC(=O)Cn1nc(-c2ccco2)c2sc(N3CCCCC3)nc2c1=O 36685854 QWDGFFXIBZUPSZ-UHFFFAOYSA-N 415.519 3.018 0 40 HGAB COc1cc(C(=O)N2CCCc3cccc(OC)c32)ccc1OCC(=O)NC(C)C 44488923 ANWBJRIYGHSXKQ-UHFFFAOYSA-N 412.486 3.200 0 40 HGAB Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)NCC(C)(C)CN(C)C 57613778 PBWXTJPOBVKKPY-UHFFFAOYSA-N 421.538 3.253 0 40 HGAB COc1ccc(NC(=O)[C@H]2C[C@H]2c2cccnc2)cc1S(=O)(=O)N1CCCCC1 58134874 WGIJORUTGCISHH-ROUUACIJSA-N 415.515 3.007 0 40 HGAB O=C(O)c1cc(NS(=O)(=O)c2cc(F)cc(F)c2)ccc1N1CCSCC1 58366114 WNIFEKHDMPRKHR-UHFFFAOYSA-N 414.455 3.017 0 40 HGAB COc1ccc(/C=C/C(=O)N[C@@H](Cc2ccccc2)C(=O)O)cc1Br 62714514 PLAVERYKQWRBQL-DZZUKKPASA-N 404.260 3.283 0 40 HGAB CCCCN(C)S(=O)(=O)N1CCC2(CC1)C[C@@H]2c1nnc(-c2ccccc2)o1 71889707 VWRXDWSKVLJBOG-QGZVFWFLSA-N 404.536 3.283 0 40 HGAB COc1ccc(OCCc2cc([C@H]3CCN(C(=O)c4scnc4C)C3)n[nH]2)cc1 72371525 MMEIEJRYRNDGEI-HNNXBMFYSA-N 412.515 3.434 0 40 HGAB CCOC(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CCCN(Cc2cncn2C)C1 72394097 LZXHDXURZYGHPU-HSZRJFAPSA-N 408.502 3.463 0 40 HGAB O=C(CNC(=O)N1CCN(c2cccc(Cl)c2)CC1)Nc1c(F)cccc1F 72401560 IHIWIFLREANBNY-UHFFFAOYSA-N 408.836 3.089 0 40 HGAB COC(=O)COc1c(OC)cccc1[C@H]1CC(O)=Nc2c1cnn2Cc1ccco1 72404137 KALSGMKTLHZEFY-OAHLLOKOSA-N 411.414 3.208 0 40 HGAB Cc1cc(C(=O)N2CC[C@H]3[C@H](CCC(=O)N3C3CC3)C2)c(C)n1Cc1ccccn1 89577945 AEEMXFTYNCXEOX-GCJKJVERSA-N 406.530 3.164 0 40 HGAB Cc1cnn(-c2ccc(C(N)=O)cc2NC(=O)c2cccc(OC[C@H]3CCCO3)c2)c1 95462382 BHLCKAPONDCYMS-LJQANCHMSA-N 420.469 3.090 0 40 HGAB CCN(CC)C(=O)C[C@H]1CC2(CCN(C(=O)c3ccnnc3)CC2)Oc2ccccc21 96053489 WJDPGVAEFOOIGS-IBGZPJMESA-N 422.529 3.276 0 40 HGAB CCc1ccc(NC(=O)N2CCC[C@@]3(CC(C(=O)NCc4ccncc4)=NO3)C2)cc1 96225333 RFISRFGEDPWLOB-HSZRJFAPSA-N 421.501 3.103 0 40 HGAB Cc1c(C)c2ccc(O[C@H](C)C(=O)NC[C@H]3CC[C@H](C(=O)O)CC3)cc2oc1=O 100762583 UIEDXWDNSUSTHH-OAGGEKHMSA-N 401.459 3.184 0 40 HGAB C[C@@H](C(=O)Nc1nc(-c2cc(F)ccc2F)cs1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 103464801 VPPVVVJBVRABFT-WCFLWFBJSA-N 417.437 3.367 0 40 HGAB O=C1C[C@H](N2CCC(O)CC2)C(=O)N1c1ccc(Oc2ccc(Cl)cc2)cc1 215704968 VVDWVOVSBPNMCV-IBGZPJMESA-N 400.862 3.221 0 40 HGAB CCOc1ccc(N([C@@H](CC)C(=O)N(C)Cc2ccccc2)S(C)(=O)=O)cc1 220661839 ZETDHFHURLAHDJ-FQEVSTJZSA-N 404.532 3.289 0 40 HGAB CCOC(=O)c1ccc(NC(=O)c2cccc(N3CCCCS3(=O)=O)c2)c(C)c1 222558170 AKDSHHKPVSUVFS-UHFFFAOYSA-N 416.499 3.354 0 40 HGAB CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc2c(c1)OCCO2 222580339 PBVHYGLZTGDTBB-HNNXBMFYSA-N 416.905 3.207 0 40 HGAB CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N[C@@H](C)CCc1ccccc1 222650367 PHQROMCJNQFNKD-UWJYYQICSA-N 418.559 3.377 0 40 HGAB CC(C)(Cc1ccccc1)NC(=O)c1ccc(CS(=O)(=O)N2CCCC2)cc1 223127729 RNRURPFKYVTPCP-UHFFFAOYSA-N 400.544 3.363 0 40 HGAB COc1ccc(S(=O)(=O)NCc2ccc3c(c2)OCCO3)c(Cl)c1Cl 223717681 WRMFGOJVYJHJTI-UHFFFAOYSA-N 404.271 3.252 0 40 HGAB Cc1cc(S(=O)(=O)NCCOc2ccccc2Cl)ccc1N1CCCC1=O 224374927 ABFLBNLRSLAAAJ-UHFFFAOYSA-N 408.907 3.133 0 40 HGAB COC(=O)CN(c1cccc(Cl)c1C)S(=O)(=O)c1ccc(OC)c(OC)c1 224805558 VXOLNVJJCHWPIC-UHFFFAOYSA-N 413.879 3.034 0 40 HGAB CCCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)COc1ccccc1OC 225423462 PGTGKQUAZCXVNK-HXUWFJFHSA-N 412.530 3.450 0 40 HGAB O=C(COc1ccccc1F)NC1CCN(c2cc(-c3cccs3)[nH]n2)CC1 225755505 YZQYSYIBMPYYRE-UHFFFAOYSA-N 400.479 3.441 0 40 HGAB O=C(c1cc(Br)cs1)N1CCN(c2cc3c(nn2)CCCC3)CC1 244986215 JKUJDQIMTKVYLE-UHFFFAOYSA-N 407.337 3.142 0 40 HGAB COc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]3[C@H]3CCCN23)cc1 248140555 PPKBCXDRJPIAHD-WCIQWLHISA-N 424.884 3.184 0 40 HGAB CCOC[C@]1(C(N)=S)[C@H](c2ccc(OC)cc2)[C@H]1S(=O)(=O)c1ccc(C)cc1 252516061 PUHGFQZAXNQWEL-SBHAEUEKSA-N 419.568 3.252 0 40 HGAB O=C(CCN1CCOCC1)N1CCCC[C@@H]1c1nnc(-c2nccc3ccccc23)o1 257211241 BYBQXKGEXFOQRR-LJQANCHMSA-N 421.501 3.061 0 40 HGAB Cc1nc2ccccn2c1CC(=O)N1CC[C@](C)(O)[C@@H](Oc2ccc(Cl)cc2)C1 257248563 JEFJJCNFOCMFGG-UGKGYDQZSA-N 413.905 3.270 0 40 HGAB CO[C@H]1CCN(CC(=O)Nc2nc(-c3ccc(F)cc3)cs2)C[C@]12CCCO2 257304163 SKHLZCNADBQGMP-FXAWDEMLSA-N 405.495 3.158 0 40 HGAB CC(=O)N1[C@@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)N2C(=O)c1ncccn1 257314918 UZDLMFVCJJPFFQ-NABGWTBKSA-N 404.514 3.092 0 40 HGAB CCc1onc(C)c1-c1cccc([C@H]2CN(C(=O)c3cnc(C)nc3C)CCO2)n1 257339691 ZCTVNKXMCCCQID-HXUWFJFHSA-N 407.474 3.228 0 40 HGAB COc1ccc(-c2cccc3nc([C@@H]4CN(Cc5cnn(C)c5)CCN4C)cn23)cc1 306133700 MTASCIUVMYYWPM-QHCPKHFHSA-N 416.529 3.232 0 40 HGAB COc1ncccc1CN1CCO[C@@H](c2cn3c(-c4ccncc4)cccc3n2)C1 306136254 POEDAVZIIZTKSW-OAQYLSRUSA-N 401.470 3.373 0 40 HGAB Cc1ccc(C(=O)N2Cc3sc(C)nc3C3(CCN(C(=O)N(C)C)CC3)C2)s1 306140085 UJNXSAAJFVNXEE-UHFFFAOYSA-N 418.588 3.493 0 40 HGAB COc1cc2c(cc1C)C(=O)[C@@H]([C@]1(O)C(=O)Nc3ccc(Br)cc31)CC2 408567141 PVNHVTGUMIIHAG-VBKZILBWSA-N 416.271 3.351 0 40 HGAB COC[C@H](C)NC(=O)c1ccc(N(Cc2ccccc2Cl)S(C)(=O)=O)cc1 408604700 HTLUGGKAFBOVOV-AWEZNQCLSA-N 410.923 3.071 0 40 HGAB CCCNC(=O)COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1C 408620257 IYTSJUOPUGMMHZ-UHFFFAOYSA-N 402.516 3.042 0 40 HGAB O=C(O)CCSc1nc2ccc(N3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4C3)cc2s1 408750670 QDAAGZYXVPXLQG-NXPNQGMMSA-N 400.481 3.175 0 40 HGAB CCOc1ccc(/C=C2\SC(=O)N(CC(=O)NCC(C)C)C2=O)cc1OCC 409203684 YETSTGLNDQZUOP-YVLHZVERSA-N 406.504 3.293 0 40 HGAB COc1cc(C)ccc1OCc1nnc(SCC(=O)N[C@@H]2CCCC[C@H]2C)n1C 409338933 QWTVWTHALYCTEI-HZPDHXFCSA-N 418.563 3.498 0 40 HGAB CC(C)C[C@H](O)C(=O)N1CCC[C@@]2(CCCN2c2ncnc3ccsc23)CC1 585100849 YQZRYVQCECSOMQ-LAUBAEHRSA-N 402.564 3.450 0 40 HGAB CCn1ccnc1CN1CCCN([C@@H](C)C(=O)Nc2cccc(Cl)c2C)CC1 592187372 BYWOQHLEDWFOPM-KRWDZBQOSA-N 403.958 3.400 0 40 HGAB O=C1NCCOCCOc2ccc(C(=O)NC3CCCC3)cc2Cc2cccc1c2 643576267 UUWSVIFPKAPOSR-UHFFFAOYSA-N 408.498 3.089 0 40 HGAB COC(=O)[C@H](NC(=O)c1cnnn1-c1cccc(F)c1)c1cccc(C(F)(F)F)c1 1611131284 FQKKSZFDFCMPEP-MRXNPFEDSA-N 422.338 3.069 0 40 HGAB COc1ccccc1S(=O)(=O)N1CCC(COc2ccc(C(C)(C)C)nn2)CC1 1775969626 CYZUBJLAIUEZBL-UHFFFAOYSA-N 419.547 3.262 0 40 HGAB CNC(=O)c1cccc([C@@H]2CN(Cc3cccc(Oc4ncccn4)c3)CCN2C)c1 1848352743 JPLZIOVQGDYNOX-QFIPXVFZSA-N 417.513 3.117 0 40 HGAB Cc1ccccc1OCC(=O)N1CCC(Cn2c(C)nc3cc(F)ccc3c2=O)CC1 1888962011 SUTBJZJHBVFRRB-UHFFFAOYSA-N 423.488 3.470 0 40 HGAB O=S(=O)(c1ccc2c(c1)CCO2)N1CCC(COc2ccncc2Cl)CC1 1889217638 RXEUDUPGUXFCHB-UHFFFAOYSA-N 408.907 3.150 0 40 HGAB CC(C)c1cc(C(F)(F)F)n2nc(C(=O)Nc3ccc(-n4cnnn4)cc3)cc2n1 1365205 GSBAENHWRMCBTC-UHFFFAOYSA-N 416.367 3.100 0 40 HGAB CCCCc1cc(=O)oc2c(C)c(OCC(=O)N3CCC(C(=O)O)CC3)ccc12 2117295 AQMBWBLMGXKFIS-UHFFFAOYSA-N 401.459 3.146 0 40 HGAB biogenic O=C(/C=C/c1ccc(S(=O)(=O)N2CCCCCC2)cc1)OCC(=O)c1ccc[nH]1 2648985 ZDLOPOQXPTZDAZ-FMIVXFBMSA-N 416.499 3.019 0 40 HGAB Cn1ncc2c1ncn1nc(-c3cnn4c3N[C@H](c3ccccc3)C[C@@H]4C(F)F)nc21 2802386 QQDBQJICHLZLLF-LSDHHAIUSA-N 421.415 3.238 0 40 HGAB C[C@H](OC(=O)c1ccc(CSc2nc3ccccc3s2)cc1)C(=O)NC(N)=O 3548498 MTNMCVHFPLZAQJ-NSHDSACASA-N 415.496 3.329 0 40 HGAB Cc1ccc(C)c2[nH]c(=O)c(CN(CCCO)C(=S)NCCc3ccccc3)cc12 4132874 RFFKARSRBOCFTP-UHFFFAOYSA-N 423.582 3.447 0 40 HGAB CCCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](C(=O)c1ccc(C)cc1)N1c3ccccc3C=C[C@H]21 4623080 INWHRFFEEIDXNR-YSFYHYPLSA-N 400.478 3.473 0 40 HGAB CCOC(=O)C1CCN(C(=O)CCC(=O)Nc2cccc(C(F)(F)F)c2)CC1 4696075 PBPRDYRRHMENFR-UHFFFAOYSA-N 400.397 3.226 0 40 HGAB CCOc1ccc([C@H](C(=O)NC(C)(C)C)N(C(=O)c2csnn2)C2CC2)cc1 4965047 KXNZTFDVUYUDOZ-QGZVFWFLSA-N 402.520 3.197 0 40 HGAB COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2nnnn2-c2ccc(C)cc2C)c1C 5414931 HQRWJAUOBQKYNM-CQSZACIVSA-N 413.503 3.374 0 40 HGAB COC(=O)c1c(NC(=S)N2CCN(c3ccc(O)cc3)CC2)sc(C)c1C 6399586 PTBXCOWLZHHMAW-UHFFFAOYSA-N 405.545 3.376 0 40 HGAB C/C(NCCc1c[nH]c2ccccc12)=C1/C(=O)NC(=O)N(c2ccc(C)cc2)C1=O 6420763 FUHRNSVDZIHDFT-HMMYKYKNSA-N 402.454 3.165 0 40 HGAB CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NC[C@H](CC(=O)O)c1ccc(Cl)cc1 6670187 BGPOWXAZKQNOEN-HOCLYGCPSA-N 410.898 3.414 0 40 HGAB CC[C@@H](C)NC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC)cc1 6728364 QKSRXKWCXUJOFY-CQSZACIVSA-N 410.923 3.459 0 40 HGAB Cc1ccc(CN(C(=O)[C@@H](C)Oc2ccc(C)c(C)c2)[C@@H]2CCS(=O)(=O)C2)o1 6810335 QNNUMDXHEFUMHX-QZTJIDSGSA-N 405.516 3.188 0 40 HGAB C[C@H](NC(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)c1ccc2c(c1)CCCC2 7821882 VGFFZTPYAFJSIP-IVCQMTBJSA-N 417.509 3.136 0 40 HGAB Cc1ccc(C(=O)NCCSc2ccccc2)cc1S(=O)(=O)N1CCCC1 7881084 OVMZXLUPYGMCQT-UHFFFAOYSA-N 404.557 3.302 0 40 HGAB O=C(Nc1ccc2ccccc2c1)[C@@H]1CCCN1C1=NS(=O)(=O)c2ccccc21 8007588 HSUVASPOFJAONH-IBGZPJMESA-N 405.479 3.392 0 40 HGAB CN(CC(=O)Nc1ccc(N2CCCC2=O)cc1)Cc1ccccc1N1CCCC1 8157018 WOESREFOHGDLHP-UHFFFAOYSA-N 406.530 3.484 0 40 HGAB CS(=O)(=O)N(CC(=O)Nc1c(F)cccc1F)c1cccc(C(F)(F)F)c1 8169440 HROFCQWKHQXIAL-UHFFFAOYSA-N 408.348 3.388 0 40 HGAB COc1ccc(Cc2nnc(NC(=O)[C@@H]3CC(=O)N(c4ccccc4)C3)s2)cc1 8216579 WVXVHOAGSIOXQU-OAHLLOKOSA-N 408.483 3.129 0 40 HGAB COc1ccc(N(Cc2cccs2)C(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)cc1 8344306 KRSGGZFQUXTOAN-NRFANRHFSA-N 413.499 3.010 0 40 HGAB CC1=CC[C@H]2C(=O)N(c3cccc(C(=O)Nc4ccc(C(=O)O)cc4)c3)C(=O)[C@H]2C1 8472430 OQKFZJVGZYSRKJ-MOPGFXCFSA-N 404.422 3.483 0 40 HGAB CCC(C)(C)n1nnnc1[C@@H](c1cc2cc3c(cc2nc1O)OCO3)N1CCCCC1 8677484 FPNQLYNCFFBWQL-LJQANCHMSA-N 424.505 3.376 0 40 HGAB O=C(COC(=O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O)Nc1ccccc1 8799290 CRYKJYRNWMGQJB-UHFFFAOYSA-N 414.417 3.278 0 40 HGAB Cn1c(=O)n(Cc2cccc3ccccc23)c(=O)c2c1nc1n2CCN1c1ccccc1 9124585 SVZGQYMABCGRFJ-UHFFFAOYSA-N 423.476 3.250 0 40 HGAB C[C@H]1Oc2c(C(=O)Nc3ccc(S(=O)(=O)Nc4ncccn4)cc3)cccc2[C@H]1C 9468122 UDYLJKACKWQMKR-UONOGXRCSA-N 424.482 3.414 0 40 HGAB COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N[C@@H](C)c2ccccn2)c1 10556753 IZWBDILXFHCFCT-HNNXBMFYSA-N 411.483 3.382 0 40 HGAB Cc1nc(COc2ccccc2C(=O)O[C@H](C(=O)NC2CC2)c2ccccc2)no1 10561347 SLFAXDPPKNYFGU-FQEVSTJZSA-N 407.426 3.134 0 40 HGAB O=C(Nc1cccc(CNS(=O)(=O)c2cccc(Br)c2)c1)C1CC1 10668913 MSINPOKVYNGWLI-UHFFFAOYSA-N 409.305 3.276 0 40 HGAB c1cnc(CCNc2ncc(-c3ccc4c(c3)OCO4)c(-c3nccs3)n2)cn1 12186444 GLUFOSNPEFVDFG-UHFFFAOYSA-N 404.455 3.440 0 40 HGAB CC(C)NC(=O)Cn1cc(CN2CCC[C@@H](CN3CCCC3=O)C2)c2ccccc21 12220231 CRTANKIWCGUTCS-LJQANCHMSA-N 410.562 3.000 0 40 HGAB C[C@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)N1CCN(C(=O)[C@H]2CCCO2)CC1 12734764 XVJWULFPKVWARA-XMSQKQJNSA-N 423.513 3.129 0 40 HGAB CNC(=O)c1ccc(S(=O)(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)cc1 12768006 RDVSYLUMNHPKOT-HNNXBMFYSA-N 415.540 3.224 0 40 HGAB O=C1/C(=C\Nc2ncnc3[nH]cnc23)c2ccccc2C(=O)N1c1ccc(Cl)cn1 13116921 RJVIUNAIEZTACS-ZSOIEALJSA-N 417.816 3.041 0 40 HGAB Cc1cc(-c2snnc2[C@@H]2CCCN(C(=O)CCc3c(C)noc3C)C2)on1 13225981 YGFFCZIOHKDYTM-CQSZACIVSA-N 401.492 3.445 0 40 HGAB CCCN(Cc1nc2ccsc2c(=O)[nH]1)S(=O)(=O)c1ccc2c(c1)CCC2 14202410 HRQNNWJPWHBIRH-UHFFFAOYSA-N 403.529 3.074 0 40 HGAB C[C@H](NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)c1ccc(Br)cc1 15621230 QRIAEPSOKMEQCH-VIFPVBQESA-N 417.712 3.241 0 40 HGAB COc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc3ccccc3c2)c(OC)c1 16188335 ZEUWUYMAYIVHOW-UHFFFAOYSA-N 414.483 3.116 0 40 HGAB CC(=O)c1ccc(N2CCN(C(=O)NCCSCc3ccco3)CC2)c(F)c1 17119667 XEGMXQAKIAQJIN-UHFFFAOYSA-N 405.495 3.386 0 40 HGAB O=C(c1ccc(=O)[nH]c1)N(Cc1ccco1)C1(C(=O)NC2CCCC2)CCCCC1 18250329 RRJIRTWOFIYMHL-UHFFFAOYSA-N 411.502 3.372 0 40 HGAB Cc1ccsc1CN1CCc2nc([C@H]3CCCN3C(=O)[C@@H]3C[C@@H]3C)[nH]c(=O)c2C1 19238661 KPUFZVQSVZKBBN-HDMKZQKVSA-N 412.559 3.018 0 40 HGAB Cc1sc(NC(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)nc1-c1ccc2c(c1)OCCO2 19654896 XSZOYJDLQHUKMH-AWEZNQCLSA-N 415.515 3.475 0 40 HGAB C[C@@H]1CCCN(c2nc3c(c(=O)[nH]2)CN(C(=O)C(C)(C)c2ccc(F)cc2)CC3)C1 19665916 MOJZFPLUFKCSKU-OAHLLOKOSA-N 412.509 3.008 0 40 HGAB CN(C)c1ncc(-c2ccc(C(N)=O)cc2)c([C@@H]2CCN(Cc3ccc(F)cc3)C2)n1 19694749 AXTSFFDXFWFSEV-LJQANCHMSA-N 419.504 3.437 0 40 HGAB Cc1nc(C2CCN(C3CCOCC3)CC2)nc2c1CCCN2Cc1ccccn1 19705661 QHXHBZUIIXGRDS-UHFFFAOYSA-N 407.562 3.491 0 40 HGAB COCC(=O)N1CCC(c2ncc(C(=O)Nc3ccc(Cl)cc3)c(C)n2)CC1 19763798 DQXSXOJCVTUERE-UHFFFAOYSA-N 402.882 3.043 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)Nc1ccc2c(c1)OCO2 20061765 IWHWPNRYJHLVFY-UHFFFAOYSA-N 416.499 3.397 0 40 HGAB COc1ccc([C@H](c2nnnn2C(C)(C)C)N2CCN(Cc3ccccc3)CC2)cc1 20139490 XSUBQEXAMLPNPA-JOCHJYFZSA-N 420.561 3.344 0 40 HGAB CCn1cc(C(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)c(=O)c2cc(C)ccc21 22234735 PXDADTCOEAXQHK-UHFFFAOYSA-N 422.437 3.155 0 40 HGAB COc1ccc(N(C)S(C)(=O)=O)cc1C(=O)Nc1ccccc1Br 22251517 XVJDPXOOMKFWCK-UHFFFAOYSA-N 413.293 3.106 0 40 HGAB O=C(CCCn1cnc2ccccc2c1=O)NCCc1ccc(Br)s1 22323617 FIIMWEXBWQAOAC-UHFFFAOYSA-N 420.332 3.360 0 40 HGAB O=C(CCn1cnc2ccc(Br)cc2c1=O)NCc1ccc(F)cc1 23055186 LCUOOGJLHGCDGL-UHFFFAOYSA-N 404.239 3.005 0 40 HGAB COc1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccc(C)cc3)CC2)cc1 24609004 QVDLJAHLQWCTRO-UHFFFAOYSA-N 402.516 3.184 0 40 HGAB C[C@H](C(=O)N1CCc2ccccc21)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 25151408 HQHCRXGUDVIGEE-QGZVFWFLSA-N 420.509 3.330 0 40 HGAB O=C(N1CCC(NS(=O)(=O)c2cccs2)CC1)C1(c2ccccc2)CCC1 26114869 UPLJTGILJJSAFS-UHFFFAOYSA-N 404.557 3.139 0 40 HGAB CCCOc1ccc(S(=O)(=O)N2CCN(C(=O)OCC)CC2)c2ccccc12 27823680 PFJCRLNNHRTDJM-UHFFFAOYSA-N 406.504 3.091 0 40 HGAB COC(=O)c1ccc(C)c(S(=O)(=O)N[C@@H](C)c2ccc(NC(=O)C3CC3)cc2)c1 28044855 LRCKZPYBNOIKLN-AWEZNQCLSA-N 416.499 3.170 0 40 HGAB CC(C)OCCCNS(=O)(=O)c1ccc2c(c1)C[C@@H](C)N2C(=O)c1ccccc1 28207091 TZCBSQCWYCCDIF-QGZVFWFLSA-N 416.543 3.371 0 40 HGAB O=C(Nc1nc2c(s1)CCC2)c1ccc(S(=O)(=O)Nc2ccncc2)cc1 29020333 NLZHLWYVSIFTTG-UHFFFAOYSA-N 400.485 3.080 0 40 HGAB CC(C)NS(=O)(=O)c1cc(C(=O)NCCc2cccc3cccnc23)ccc1F 29454598 MVRJNCOPMFXQRR-UHFFFAOYSA-N 415.490 3.033 0 40 HGAB Cc1oc2nc[nH]c(=O)c2c1C(=O)Nc1ccc(F)c(-c2nnc3n2CCCCC3)c1 29905449 ARJNQAXVCIWLAU-UHFFFAOYSA-N 422.420 3.201 0 40 HGAB COc1ccc(CN(C)Cc2nc(CC(=O)Nc3ccccc3OC)no2)cc1F 32539000 DSGVUTOINPMTHA-UHFFFAOYSA-N 414.437 3.039 0 40 HGAB COc1ccccc1N1C(SCc2ccccc2C)=N[C@H]2CS(=O)(=O)C[C@H]21 32641009 YUYTWIRGFKSZFM-FUHWJXTLSA-N 402.541 3.279 0 40 HGAB CS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1cccc(OC2CCCC2)c1 32769552 ZYYANTDIIVMGED-NRFANRHFSA-N 414.527 3.333 0 40 HGAB O=C(NCc1ccc(COCC(F)(F)F)cc1)NCc1ccc(-n2cccn2)nc1 32795299 LZDUXYJTUQJLDD-UHFFFAOYSA-N 419.407 3.346 0 40 HGAB COc1ccc(OCCN(C)c2cc(C(=O)N3CCOCC3)c3ccccc3n2)cc1 32837533 REJAJKHBLQRTLM-UHFFFAOYSA-N 421.497 3.231 0 40 HGAB C[C@@H]1C[C@H](OC(=O)c2ccccc2NS(=O)(=O)c2ccc(Cl)cc2)C(=O)O1 32895918 CCMSOLIOPFVCLX-BZNIZROVSA-N 409.847 3.002 0 40 HGAB COc1ccc(Br)cc1[C@H]1C(C(=O)OC(C)(C)C)=C(C)Nc2nnnn21 35478657 RPYOOVCHNXIALZ-AWEZNQCLSA-N 422.283 3.075 0 40 HGAB Cc1c(Cl)cccc1NC(=O)CNC(=O)CN1CCCc2cc(F)cc(F)c21 36754184 DNJAPWINGQCZPJ-UHFFFAOYSA-N 407.848 3.434 0 40 HGAB Cc1c(NC(=O)c2cccc(NC(=O)[C@@H]3C[C@@H]3C)c2)c(=O)n(-c2ccccc2)n1C 36760567 AQIQVNLVOGHVQJ-IFXJQAMLSA-N 404.470 3.331 0 40 HGAB COc1ccc(-c2ccc(N3CCN(C(=O)CSC4CCCC4)CC3)nn2)cc1 38488100 ZQTSKGLLJBJERF-UHFFFAOYSA-N 412.559 3.477 0 40 HGAB CS(=O)(=O)N1C[C@H](C(=O)Nc2ccc(Cl)cc2)Oc2ccc(Cl)cc21 38756880 IDWWGWASZULCQE-OAHLLOKOSA-N 401.271 3.159 0 40 HGAB COc1ccc(-c2nc(CS(=O)(=O)CC(=O)Nc3ccccc3)cs2)cc1 40070154 QPVIRMQGHLTVTC-UHFFFAOYSA-N 402.497 3.372 0 40 HGAB O=C(NCc1ccccc1Cn1cccn1)Nc1ccccc1CN1CCOCC1 40152319 RCFSKCUOOAXZLS-UHFFFAOYSA-N 405.502 3.085 0 40 HGAB CCSc1ccccc1NC(=O)[C@H]1CCN(S(C)(=O)=O)c2ccccc2O1 44938732 SDJXWCBUYMNQMN-QGZVFWFLSA-N 406.529 3.354 0 40 HGAB CCOC(=O)C1=C(CN(C)Cc2ccccc2)NC(=O)N[C@H]1c1ccccc1OCC 57415804 JGENPMUCKBFAIP-QFIPXVFZSA-N 423.513 3.388 0 40 HGAB CN(C)C(=O)Sc1ccccc1NS(=O)(=O)c1ccc2oc(=O)ccc2c1 58306861 IELSRIBGKKGILK-UHFFFAOYSA-N 404.469 3.368 0 40 HGAB O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)NCC(=O)NC1CCCCC1 60213484 SXPFIWLIBZCMPB-OAQYLSRUSA-N 407.514 3.113 0 40 HGAB O=C(c1cnc2c(cnn2C2CCCC2)c1)N1CCN(CCOc2ccccc2)CC1 69946997 PRGZUAWOUFMEDG-UHFFFAOYSA-N 419.529 3.383 0 40 HGAB CC(C)(C)OC(=O)N[C@@H](C(=O)N1CC[C@H](c2ccnc3nccn23)C1)c1ccccc1 72360650 GULOGFYHBWXRTA-PKOBYXMFSA-N 421.501 3.311 0 40 HGAB CCOC(=O)c1oc2ccccc2c1CN1C(=O)Nc2ccccc2S1(=O)=O 79020056 YBJCQMXZIPBNQU-UHFFFAOYSA-N 400.412 3.346 0 40 HGAB O=C(NCCC(=O)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1)c1ccccc1 95352935 TYLHGVLNMGIUQQ-UHFFFAOYSA-N 419.447 3.170 0 40 HGAB O=S(=O)(CC[C@@H]1CCCO1)NC1(c2nc(-c3ccsc3)no2)CCCCC1 95449626 TYNNFMYBZUDUDO-HNNXBMFYSA-N 411.549 3.446 0 40 HGAB Cc1cc(S(=O)(=O)Nc2ccccc2C(=O)O)ccc1I 95945911 PAJUUSKMCDDCIM-UHFFFAOYSA-N 417.224 3.099 0 40 HGAB O=C(Nc1cccc(F)c1)[C@@H]1CN(C(=O)Cc2ccc(F)cc2)CC12CCOCC2 96078668 FTUYQUBBKKRQTC-FQEVSTJZSA-N 414.452 3.401 0 40 HGAB COc1ccccc1N1CCN(C(=O)[C@@H]2[C@H]3CC[C@@H](C3)N2C(=O)c2ccccc2)CC1 100816137 GEHZJSPGDPXUNH-JTAQYXEDSA-N 419.525 3.037 0 40 HGAB COc1ccc(CCNC(=O)[C@H](C)N(c2ccc(C)c(Cl)c2)S(C)(=O)=O)cc1 220358390 GKWWNKLKOCYXQL-HNNXBMFYSA-N 424.950 3.170 0 40 HGAB CCCC(=O)N(Cc1ccc(F)cc1)[C@H](Cc1ccccc1)C(=O)NCCOC 223197105 ZIUUXEZNEBVYCU-OAQYLSRUSA-N 400.494 3.328 0 40 HGAB C[C@@H](C(=O)NCc1cccc(C(F)(F)F)c1)N(c1cccc(F)c1)S(C)(=O)=O 223340415 PTQCCEZTCMLXKE-LBPRGKRZSA-N 418.412 3.315 0 40 HGAB COC(=O)c1ccc(C)c(NC(=S)NCc2ccccc2CN2CCCC2=O)c1 225652040 JTHTVPQQSOSWIJ-UHFFFAOYSA-N 411.527 3.391 0 40 HGAB COc1cccc(N(C)C(=O)[C@H]2CCCN(S(=O)(=O)c3cc(C)ccc3C)C2)c1 225920743 USTHQBWNMQLARS-SFHVURJKSA-N 416.543 3.376 0 40 HGAB COc1ccc(NC(=O)[C@@]2(C)CCN(c3c(C)cccc3C)S2(=O)=O)cc1OC 225947159 MCCPDJXBAKQKSX-OAQYLSRUSA-N 418.515 3.258 0 40 HGAB Cc1ccc(N([C@H](C)C(=O)NCCOc2cccc(C)c2C)S(C)(=O)=O)cc1C 260953257 ZRDAUBMLPRAPMU-LJQANCHMSA-N 418.559 3.270 0 40 HGAB CC1CCN(S(=O)(=O)c2ccc(OCC(=O)Nc3cccc(F)c3)cc2)CC1 408624647 RAQIABYSUZPXEI-UHFFFAOYSA-N 406.479 3.264 0 40 HGAB CS(=O)(=O)N(CC(=O)Nc1ccccc1Br)c1ccc(F)c(F)c1 408681457 WGTHLIJXHRBTSU-UHFFFAOYSA-N 419.247 3.132 0 40 HGAB Cc1cc(C)c2nc3s/c(=C\c4cc(Br)c(O)cc4O)c(=O)n3c2c1 408720863 GFGWWGUYRPBTPY-UUASQNMZSA-N 417.284 3.247 0 40 HGAB COc1cc(O)c(Cl)c2c1C(=O)O[C@H](C)CCC(=O)CC[C@H](OC)CC(=O)C2 514287839 DEMKQUIZOFIHRZ-RISCZKNCSA-N 412.866 3.259 0 40 HGAB biogenic,in-vitro CCn1cc(NC(=O)[C@@H]2CCC(=O)N(C)[C@H]2c2ccc(C(F)(F)F)cc2)ccc1=O 524537915 FJKFLYGAGHQJKH-APWZRJJASA-N 421.419 3.435 0 40 HGAB COc1cc2c(cc1OC)[C@@H](NC(=O)[C@H](C(C)C)N1Cc3ccccc3C1=O)CC2 583652586 ZQQDRAMTPANWDV-UGKGYDQZSA-N 408.498 3.488 0 40 HGAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)c1oc2c(F)cccc2c1C 608147787 JVJMIEZKERNWCV-CYBMUJFWSA-N 405.451 3.306 0 40 HGAB O=C(Cn1cc(Br)cn1)NC[C@@H](c1cccc(Cl)c1)N1CCCC1 613675180 TXCWJRRCBASENF-INIZCTEOSA-N 411.731 3.252 0 40 HGAB O=C(Nc1ccc2c(c1)OCO2)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 791942 KSWDYMWYMUABPE-ZDUSSCGKSA-N 422.890 3.108 0 40 HGAB C[C@H]1CCC[C@@H](C)N1S(=O)(=O)c1ccc(S(=O)(=O)NC2CCCCC2)cc1 1368261 AHKLCXNHNREFKM-IYBDPMFKSA-N 414.593 3.249 0 40 HGAB COc1ccc(-c2n[nH]cc2[C@@H]2CC(=O)Oc3c2c(=O)n(C)c2ccccc32)cc1 1429550 HWUDNVIYVKNWTR-INIZCTEOSA-N 401.422 3.378 0 40 HGAB O=C(COC(=O)CCN1C(=O)c2ccccc2C1=O)Nc1cccc(Cl)c1Cl 1962676 NMYOIPQRFODQLY-UHFFFAOYSA-N 421.236 3.161 0 40 HGAB COc1ccccc1[C@@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(C(C)C)CC(=O)N21 2109720 DOBQCIVRQBNFTH-WMZHIEFXSA-N 403.482 3.270 0 40 HGAB biogenic Cc1c(CCC(=O)N[C@H](C(=O)O)c2ccccc2)c(=O)oc2cc(O)c(Cl)cc12 2115423 WABXCPBYQFBXNG-IBGZPJMESA-N 415.829 3.335 0 40 HGAB biogenic CC(C)CC[C@]1(C)NC(=O)N(CC(=O)Nc2ccc(OC(F)(F)F)cc2)C1=O 2622305 KXLCPRWQRAGPJN-KRWDZBQOSA-N 401.385 3.270 0 40 HGAB C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)NCc2ccc(Cl)cc2Cl)C1=O 3459612 KHVACEYRIVXLCR-IBGZPJMESA-N 406.269 3.077 0 40 HGAB COCCNC(=O)CSc1nc(-c2ccc(OC)cc2)cc(C(F)(F)F)n1 3645086 IKWAQNVUVGHFOB-UHFFFAOYSA-N 401.410 3.026 0 40 HGAB CCOC(=O)[C@H]1S[C@]2(C(F)F)C[C@@]1(O)c1c(c(OC)c3occc3c1OC)O2 4008552 UVSRNJPOKWRXBT-OLMNPRSZSA-N 416.398 3.060 0 40 HGAB COc1cccc(OC)c1C(=O)Nc1c2c(nn1-c1ccccc1C)C[S@@](=O)C2 4106228 BITWRRDHSMKJQM-GDLZYMKVSA-N 411.483 3.213 0 40 HGAB Cc1ccc(-n2ncc3c(=O)n(CC(=O)Nc4ccc(Cl)cc4)cnc32)c(C)c1 4479314 FSIPJWOBCIUWTF-UHFFFAOYSA-N 407.861 3.491 0 40 HGAB CCOc1ccc(C(=O)C2CCN(CC(=O)Nc3ccc(C(=O)O)cc3)CC2)cc1 5008306 SBABLVWGEAJQPV-UHFFFAOYSA-N 410.470 3.317 0 40 HGAB COc1ccc([C@@H]2c3c(n[nH]c3-c3cc(Cl)c(C)cc3O)C(=O)N2CCO)cc1 5342463 OTDYWNCELKEMRM-HXUWFJFHSA-N 413.861 3.290 0 40 HGAB Fc1cccc(-c2ccnc(N[C@H]3CO[C@@H]4[C@@H](NCc5ccccc5)CO[C@H]34)n2)c1 5440630 QBIHJGZXJZZLCT-FNAHDJPLSA-N 406.461 3.019 0 40 HGAB biogenic,in-vitro CC(C)c1nccn1-c1ccc(NS(=O)(=O)c2ccc3oc(=O)n(C)c3c2)cc1 6659102 PHYANBMSYDROKX-UHFFFAOYSA-N 412.471 3.241 0 40 HGAB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(Cl)c1OCC(N)=O 6959348 OCVHKKLISOSTMJ-OVCLIPMQSA-N 413.861 3.457 0 40 HGAB O=C(COC(=O)[C@H]1CC(=O)N(c2ccccc2F)C1)Nc1ccc(F)c(Cl)c1 7295779 OVAQQYGZLLFTKX-NSHDSACASA-N 408.788 3.153 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1ccc2c(c1)OCO2 7598067 QRGXFQKUZNKUGC-UHFFFAOYSA-N 402.472 3.151 0 40 HGAB CCCCOC(=O)c1ccc(N2C[C@H](C(=O)OCC(=O)c3ccccc3)CC2=O)cc1 7881383 KYCJGGSHNKTOBO-LJQANCHMSA-N 423.465 3.423 0 40 HGAB CCNc1ccc(S(=O)(=O)N(C)C)cc1NCC(=O)Nc1cccc(C)c1C 7978479 RTBNUQXCKLKJNM-UHFFFAOYSA-N 404.536 3.036 0 40 HGAB O=C(CCS(=O)(=O)c1ccccc1)Nc1nc(-c2ccc3c(c2)OCO3)cs1 9599547 COQOIGNOOUMIOV-UHFFFAOYSA-N 416.480 3.341 0 40 HGAB COc1ccc(C(=O)N[C@H](C)c2cccs2)cc1S(=O)(=O)NC1CCCC1 9613776 QHLSRBOZRXHKOL-CYBMUJFWSA-N 408.545 3.469 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(CNC(=O)N2CCc3sccc3C2)cc1 10408890 AERDQPZNTCUGHA-UHFFFAOYSA-N 407.561 3.047 0 40 HGAB CCOc1ccc(C(=O)N[C@H](C(=O)NCCCN2CCC(C)CC2)C(C)C)cc1 11714175 FMGUWPATKRPGBY-NRFANRHFSA-N 403.567 3.078 0 40 HGAB CC[C@H](C)N1CCc2nc3sc(C(=O)NC4CCCC4)c(C)c3c(=O)n2CC1 12241849 PCKADDYVHDJNEB-ZDUSSCGKSA-N 402.564 3.095 0 40 HGAB CC(=O)Nc1ccc([C@H](O)CN2CCC3(CC2)C[C@H](O)c2cc(C)ccc2O3)cc1 12293416 BLNYQDPZICOFAH-FCHUYYIVSA-N 410.514 3.338 0 40 HGAB C[C@@H](C(=O)N(C)Cc1cccc(F)c1)N1CCC(C(=O)Nc2ccccc2O)CC1 12764626 WESLBIICXGVVAX-INIZCTEOSA-N 413.493 3.229 0 40 HGAB O=C(CCS(=O)(=O)c1ccccc1Cl)Nc1cccc(C(=O)NC2CC2)c1 12863514 NPWUBDWRWYGCBS-UHFFFAOYSA-N 406.891 3.035 0 40 HGAB CC(=O)Nc1ccc(NC(=O)c2sccc2S(=O)(=O)N2CCCCC2)cc1 12987209 NDEPZOUDLXTHOD-UHFFFAOYSA-N 407.517 3.133 0 40 HGAB O=C(c1csc(COc2ccc(Cl)cc2)n1)N1CCN(C(=O)C2CC2)CC1 13015361 OOXWUOJBOQDGSR-UHFFFAOYSA-N 405.907 3.070 0 40 HGAB Cc1ccc(C)c(OC[C@H](O)CN2C(=O)N[C@]3(C[C@@H](C)CC(C)(C)C3)C2=O)c1C 14190404 KUKVDGZBMYAPEG-IJRIMCCZSA-N 402.535 3.488 0 40 HGAB Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N[C@@H](C)c2ccc(F)c(F)c2)C(C)C)cc1 14229247 BPHIJUIEABEOAI-IFXJQAMLSA-N 410.486 3.454 0 40 HGAB c1ccc(Cn2c(SC[C@H]3COc4ccccc4O3)nnc2N2CCOCC2)cc1 14239993 UHTWCYASCKPEOL-GOSISDBHSA-N 424.526 3.095 0 40 HGAB CC(C)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 15600100 WUOPFDMLYLXFIQ-QDJPGJPLSA-N 410.518 3.152 0 40 HGAB COc1cc(CNCCSc2nnnn2C)ccc1OCc1ccccc1Cl 16363667 CTJFFEDEYDIZET-UHFFFAOYSA-N 419.938 3.333 0 40 HGAB O=C(O[C@@H](C(=O)N1CCOCC1)c1ccccc1)C1=Cc2cc(Cl)ccc2OC1 16576423 RZTWJVMGRXPEQQ-HXUWFJFHSA-N 413.857 3.259 0 40 HGAB COc1ccc(OC)c(Nc2nc(NC[C@H](C)O)nc3c2cnn3-c2ccccc2)c1 17113795 GVUWHWKSEPZJMC-AWEZNQCLSA-N 420.473 3.369 0 40 HGAB CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)CCn1c(=O)oc2ccccc21 18040101 HMGBPMITCMJCCN-UHFFFAOYSA-N 422.268 3.389 0 40 HGAB CC(C)N1CCc2nc3cc([C@H]4CCCN4C(=O)C4CCCCC4)nn3c(O)c2C1 19448111 XWSYJDGUXKRLHF-HXUWFJFHSA-N 411.550 3.445 0 40 HGAB COc1cccc([C@H](NC(=O)[C@H]2CC(=O)N(Cc3ccncc3)C2)c2ccccc2)c1 19564889 VMNFUHBYXNZYLA-XUZZJYLKSA-N 415.493 3.345 0 40 HGAB COc1cccc([C@@H](NC(=O)[C@@H]2CC(=O)N(Cc3ccncc3)C2)c2ccccc2)c1 19564892 VMNFUHBYXNZYLA-QPPBQGQZSA-N 415.493 3.345 0 40 HGAB Cc1cc(NC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)c2ncccc2c1 19654847 BIXBLAGMYMXIKX-INIZCTEOSA-N 403.438 3.306 0 40 HGAB CCN(CC)C(=O)CN1CCO[C@H](c2nccnc2-c2cccc(C(F)(F)F)c2)C1 19693255 FBPCGHJPWJIYHV-KRWDZBQOSA-N 422.451 3.404 0 40 HGAB Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccc(F)cc3)C2)c(C)c1 20017105 QFQAAWRRTBUAES-LJQANCHMSA-N 418.534 3.468 0 40 HGAB CC(=O)N[C@H]1CC[C@]2(C)CC[C@@H]([C@H](C)C(=O)NCc3cccs3)[C@H](O)[C@H]2[C@@H]1C 20466182 AFEMXOUMFWXKAR-PZDQVJISSA-N 406.592 3.328 0 40 HGAB biogenic,in-vitro CSc1ccc(CNC(=O)Cn2c(=O)c(N3CCCCC3)nc3ccccc32)cc1 21657626 DWEQNSWXJYMLMB-UHFFFAOYSA-N 422.554 3.425 0 40 HGAB COCCCNC(=O)CN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccc(C)cc1 22277445 DRIKRRVOZZSVTP-UHFFFAOYSA-N 424.950 3.305 0 40 HGAB CC[C@@H](CNC(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)CC)c1ccccc1 22973494 CQJOARJDNCFTIO-LAUBAEHRSA-N 400.544 3.073 0 40 HGAB CC(=O)NCc1ccc(C(=O)N2CCN([C@@H](C)c3nc4ccccc4s3)CC2)cc1 23922028 SIZDSPYOZDFZOV-INIZCTEOSA-N 422.554 3.451 0 40 HGAB CCOC(=O)c1sc2ncnc(NC3CCN(C(=O)c4ccco4)CC3)c2c1C 25151316 MXZKXHVYPNIZQG-UHFFFAOYSA-N 414.487 3.486 0 40 HGAB COc1cc(C)c(S(=O)(=O)Nc2ccc(Sc3nncn3C)cc2)cc1OC 26536385 LOPRFYVUBVKGPO-UHFFFAOYSA-N 420.516 3.093 0 40 HGAB CC(=O)N1CCN(C(=O)CCc2c(C)c3cc4c(C)c(C)oc4cc3oc2=O)CC1 30819223 VBPRZIJTVAJOIT-UHFFFAOYSA-N 410.470 3.088 0 40 HGAB CSCC[C@@H](NC(=O)CN1C(=O)[C@@H](C)Oc2ccccc21)c1nc2ccccc2[nH]1 30911584 QJVNAIPJXPXGGH-RHSMWYFYSA-N 424.526 3.287 0 40 HGAB COc1ccccc1N1C(SCc2ccccc2C)=N[C@H]2CS(=O)(=O)C[C@@H]21 32641010 YUYTWIRGFKSZFM-WMZOPIPTSA-N 402.541 3.279 0 40 HGAB COc1ccc(OC)c(CN2CCN(CC(=O)N3CCC[C@@H]4CCCC[C@H]43)CC2)c1 32751457 MKECULLHYWIRFG-SIKLNZKXSA-N 415.578 3.003 0 40 HGAB CCN(Cc1ccc2c(c1)OCCO2)C(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1 32909341 UTCRJGRWZBPVTI-FQEVSTJZSA-N 410.470 3.238 0 40 HGAB Cc1ccc(-c2cc(C(=O)N(C)Cc3ccccc3)nn2[C@@H]2CCS(=O)(=O)C2)cc1 33325529 UFJOXTOOSLEWLP-HXUWFJFHSA-N 423.538 3.490 0 40 HGAB COc1ccc(Br)cc1CN(C)CN1C(=O)N[C@]2(CCCC[C@H]2C)C1=O 34896162 WHYBCYNUGPACJO-YJYMSZOUSA-N 424.339 3.348 0 40 HGAB COc1ccccc1CNC(=O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1c1nc2ccccc2c(=O)[nH]1 35313962 SWIKHZHVYJATFY-YQMDMEMYSA-N 401.466 3.154 0 40 HGAB CCCN(Cc1ccccc1)C(=O)c1cc(S(N)(=O)=O)ccc1Br 40049357 NVKWTFWOFNBVGD-UHFFFAOYSA-N 411.321 3.149 0 40 HGAB Cc1noc(-c2ccc(C(=O)N3CCC(NC(=O)CCc4ccccc4)CC3)cc2)n1 40094671 DQFMZORTBRFRST-UHFFFAOYSA-N 418.497 3.399 0 40 HGAB CCC(=O)N1CCc2cc(C(=O)Nc3nc(-c4c[nH]c(C(=O)OC)c4)cs3)ccc21 40144433 DWAQYVDAOOPSQT-UHFFFAOYSA-N 424.482 3.476 0 40 HGAB O=C(NCc1cccnc1OC1CCCC1)[C@@H]1CSCN1C(=O)c1ccccc1 41426743 DGVUJPWIOAAXDO-IBGZPJMESA-N 411.527 3.235 0 40 HGAB CC[C@H](NC(=O)[C@@H](C)N(c1ccc(OC)cc1)S(C)(=O)=O)c1ccc(C)cc1 44848368 HGZVEXJTTADSLK-UZLBHIALSA-N 404.532 3.426 0 40 HGAB CC[C@@H](NC(=O)[C@H]1CN(S(C)(=O)=O)c2cc(C)ccc2O1)c1ccc(C)c(C)c1 44856578 GJYJGMDOEDYFEO-WIYYLYMNSA-N 416.543 3.406 0 40 HGAB CCOC(=O)/C=C/c1ccc(NC(=O)NC2CCN(C(=O)c3ccco3)CC2)cc1 48066070 AGJASFDEULKOCS-JXMROGBWSA-N 411.458 3.282 0 40 HGAB Cc1ccc(Sc2ncccc2C(=O)N2CCC(NS(C)(=O)=O)CC2)cc1C 54213651 FWIIWOKCFFGDRS-UHFFFAOYSA-N 419.572 3.003 0 40 HGAB CCCn1c(SCC(=O)Nc2ccc(C(=O)OC)cc2)nc2ccsc2c1=O 57425275 QNJCWXWMGFROAH-UHFFFAOYSA-N 417.512 3.385 0 40 HGAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)CN[C@@H](C)c2cccc(F)c2)c1 58146406 SVDXLZSBFPGRFN-HNNXBMFYSA-N 407.511 3.146 0 40 HGAB CCCC[C@H](CC)CNC(=O)C(=O)Nc1ccc(CCCN2CCOCC2)cc1 59498047 NSNOMDPPKXJZPR-IBGZPJMESA-N 403.567 3.223 0 40 HGAB CCOc1ccc(-c2cc3c(=O)n(CCC(=O)N4CCC(C)CC4)ccn3n2)cc1 67262462 CRMWZPJAFBHDOM-UHFFFAOYSA-N 408.502 3.210 0 40 HGAB CCOc1ccccc1NC(=O)c1nnn(CC(=O)Nc2ccccc2CC)c1C 71326998 PPJVMLCWCOHSPX-UHFFFAOYSA-N 407.474 3.439 0 40 HGAB COCCN(CC(=O)Nc1ccc(Oc2ncccn2)cc1)C(=O)OC(C)(C)C 72284645 GOCLIBWXNRGYSG-UHFFFAOYSA-N 402.451 3.091 0 40 HGAB c1csc(-c2nc(N3CCn4c(nnc4C4CC4)C3)ncc2-c2cnccn2)c1 72338722 QQMJEVIHHZXJEV-UHFFFAOYSA-N 402.487 3.151 0 40 HGAB CNc1nc([C@@H]2CCCN2C(=O)C2(c3cccc(F)c3)CCCC2)nc2c1CNCC2 72372366 QPBCFJVEHXUSGI-FQEVSTJZSA-N 423.536 3.479 0 40 HGAB Cc1nccn1-c1cccc([C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)n1 72379169 UXDNYYYYKKHVJH-INIZCTEOSA-N 400.479 3.283 0 40 HGAB COc1ccc(CN2CCC[C@H](c3cc(=O)[nH]c(-c4ccncc4)n3)C2)cc1OC 72392910 YUUQFLOXBMMDET-SFHVURJKSA-N 406.486 3.229 0 40 HGAB O=C(Nc1ccc(-n2cc(Br)cn2)nc1)c1cc(=O)c2ccccc2o1 72401383 HQJISRLIDQJJJX-UHFFFAOYSA-N 411.215 3.389 0 40 HGAB CC(C)CS(=O)(=O)CCC(=O)N1CCCc2cc(Br)cc(F)c21 78404622 UFKIZQBJSVDURA-UHFFFAOYSA-N 406.317 3.328 0 40 HGAB COc1nc(C(=O)N2CCC[C@H](C(=O)Nc3cccc(C)n3)C2)cc2ccccc12 84229573 HNIHOVDXECWEOZ-KRWDZBQOSA-N 404.470 3.438 0 40 HGAB COCCn1cc(NC(=O)[C@@H]2c3ccccc3CCN2C(=O)OC(C)(C)C)cn1 89662338 JNNZHJXDPCETRG-SFHVURJKSA-N 400.479 3.003 0 40 HGAB CC[C@@H](c1ccccc1)N(CC(=O)OC)S(=O)(=O)c1cccc(C(=O)OC)c1C 89947882 SPINRIQTSYQHHG-SFHVURJKSA-N 419.499 3.097 0 40 HGAB O=C(CSCc1cccnc1)Nc1cccc(C(=O)N2CCCC[C@@H]2C(=O)O)c1 95425442 JLYDHNKPUQENRN-GOSISDBHSA-N 413.499 3.033 0 40 HGAB CCOc1ccc([C@@H]2CC(c3ccc(OC)cc3OC)=NN2S(C)(=O)=O)cc1 95945334 FQAGAQGVWAYANL-IBGZPJMESA-N 404.488 3.213 0 40 HGAB O=c1c2ccccc2ncn1CCc1noc(COc2ccc(F)cc2Cl)n1 97141551 DXDVUALTJQLHKS-UHFFFAOYSA-N 400.797 3.394 0 40 HGAB CCOc1ccc2c(c1)s/c(=N\C(=O)c1cccc(N3C(=O)CCC3=O)c1)n2C 100815932 AYDRRJGCKKQTCJ-DQRAZIAOSA-N 409.467 3.033 0 40 HGAB CCOc1ccc(S(=O)(=O)N(CC(=O)N(CC)CC)c2ccc(F)cc2)cc1 107697768 YSMQZXVRLNUGGT-UHFFFAOYSA-N 408.495 3.288 0 40 HGAB CN(c1ccccc1)c1ccccc1NC(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 109035036 UKDYLMDGGYRWCM-RZTYQLBFSA-N 401.466 3.200 0 40 HGAB CCc1ccc(N([C@H](C)C(=O)NCCCc2cccc(OC)c2)S(C)(=O)=O)cc1 220283267 QSAGDLYMQBHDJF-QGZVFWFLSA-N 418.559 3.161 0 40 HGAB COc1ccccc1N(CCCC(=O)NCCCc1ccc(C)cc1)S(C)(=O)=O 222584343 DFOBMHHRZPAUTH-UHFFFAOYSA-N 418.559 3.299 0 40 HGAB CCCC(=O)N(Cc1ccc(OC)cc1)[C@H](Cc1ccccc1)C(=O)NCCOC 223267291 WIPDGBPHJYHPPA-JOCHJYFZSA-N 412.530 3.198 0 40 HGAB COc1ccc(S(=O)(=O)N(CC(=O)O)c2cccc(C(F)(F)F)c2)cc1F 225101921 PIDZWNMHSXPPRQ-UHFFFAOYSA-N 407.341 3.133 0 40 HGAB CCOc1ccc(-c2cc(C(=O)N3CCC[C@@H]4N(C(C)=O)CCC[C@@]43C)[nH]n2)cc1 257305782 SRMGXWDFYPMJQP-GMAHTHKFSA-N 410.518 3.481 0 40 HGAB COCCN1CC[C@]2(CN(Cc3ccccc3F)C[C@@H]2c2cn(C(C)C)cn2)C1=O 306125424 CQOCNVNBAKUORS-AUSIDOKSSA-N 414.525 3.068 0 40 HGAB COC(=O)c1ccc(NS(=O)(=O)c2ccc(NC(=O)NCC(C)C)cc2)cc1 408582816 FFHKSKGPRYHJGG-UHFFFAOYSA-N 405.476 3.052 0 40 HGAB COCCNC(=O)c1cc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)ccc1C 408620405 JMFSZWCONLNABA-UHFFFAOYSA-N 416.421 3.191 0 40 HGAB Cc1ccc(C(=O)NCc2nnc(SCC(=O)Nc3c(C)cccc3C)n2C)cc1 409351453 UKYCYTWMMXYBCL-UHFFFAOYSA-N 423.542 3.401 0 40 HGAB COc1cccc(S(=O)(=O)N2CC[C@@H]3[C@H](CN3C[C@H](C)c3ccccc3)C2)c1 585107933 GQDSFXBAETZEBS-LRXVAGHRSA-N 400.544 3.194 0 40 HGAB O=C(NCc1cocn1)c1ccc(Oc2ccc(C(=O)NCc3cocn3)cc2)cc1 593742763 SPFLGMAKGFWUFS-UHFFFAOYSA-N 418.409 3.315 0 40 HGAB FC(F)(F)c1nnc2ccc(N3CCC(COc4ccc(C5CC5)nn4)CC3)nn12 1775969477 UHQAZAWSZVTUHB-UHFFFAOYSA-N 419.411 3.106 0 40 HGAB COc1cc(CN2CCC(C(=O)NC3CCCC3)CC2)cc(Br)c1O 819286 RGNSKDMORYXKBZ-UHFFFAOYSA-N 411.340 3.434 0 40 HGAB CCNC(=S)N(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C1CCCCC1 891163 IINHFGSSZIPSQU-UHFFFAOYSA-N 401.532 3.328 0 40 HGAB Cc1c(C)c2ccc(OCC(=O)NCC3CCC(C(=O)O)CC3)c(C)c2oc1=O 2119808 MMUQSPGHDNRXTN-UHFFFAOYSA-N 401.459 3.104 0 40 HGAB biogenic CCc1nnc2sc(-c3ccc(CNC(=S)NC(=O)c4ccccc4)cc3)nn12 2363350 BXGGGKUDPWQPFB-UHFFFAOYSA-N 422.539 3.220 0 40 HGAB COc1ccc(-c2nnc(SCC(=O)Nc3cc(Cl)ccc3C)n2N)cc1 2388351 SNCCTUUBYYPIOH-UHFFFAOYSA-N 403.895 3.360 0 40 HGAB CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)COC(=O)c1cnccn1 2658385 KALLUQQOCZREKT-UHFFFAOYSA-N 411.439 3.177 0 40 HGAB O=C(COC(=O)c1ccc2c(c1)OCCO2)NCCc1ccc(Cl)cc1Cl 3326313 FZGIVTCOYVJTDF-UHFFFAOYSA-N 410.253 3.280 0 40 HGAB CC(C)CCNC(=O)NC(=O)CSc1nnc(COc2ccccc2Cl)o1 3364742 PAEXXNLOFXPHKA-UHFFFAOYSA-N 412.899 3.266 0 40 HGAB CCOC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OCC)[C@H]1c1ccc(C(C)(C)C)cc1 4112396 WQOSIFNKORDPQG-LVBDUCALSA-N 404.503 3.150 0 40 HGAB CCOC(=O)c1ccc(CN2C(=O)S[C@H](Nc3ccccc3C(=O)O)C2=O)cc1 4271904 QQJYRTPQEOQLDR-INIZCTEOSA-N 414.439 3.195 0 40 HGAB COc1cccc(-n2c(=O)[nH]c3c(C(N)=O)nc(-c4ccc(C(C)C)cc4)nc32)c1 4940454 WLADDJIMFYCVLE-UHFFFAOYSA-N 403.442 3.007 0 40 HGAB COc1ccc(OC)c(NC(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1 6395842 STJAZLGPOQDODP-UHFFFAOYSA-N 418.515 3.060 0 40 HGAB Cc1ccc(NC(=O)Cc2nnc(SCC(=O)N[C@@H]3CCCC[C@H]3C)n2C)cc1 6476940 DEGPXNCASUOOEI-NVXWUHKLSA-N 415.563 3.092 0 40 HGAB COc1cccc(NC(=O)CN(C)[C@@H](C)C(=O)Nc2ccc(Br)cc2)c1 6847533 XASZXFMMHKFUFT-ZDUSSCGKSA-N 420.307 3.355 0 40 HGAB O=C(COC(=O)c1cccnc1Sc1ccccc1)NC(=O)Cc1ccccc1 7984149 DWJIUJUTPSTUFX-UHFFFAOYSA-N 406.463 3.275 0 40 HGAB Cc1ccc(NC(=O)COC(=O)CCCCCN2C(=O)c3ccccc3C2=O)cc1 8410581 NNGSGNIDLMQBAB-UHFFFAOYSA-N 408.454 3.333 0 40 HGAB Cc1cc(NC(=O)COC(=O)CCC(=O)Nc2cc(Cl)ccc2Cl)no1 8412496 CPXCIQKRZOWGDZ-UHFFFAOYSA-N 400.218 3.190 0 40 HGAB O=C(COc1ccc(-n2cnnn2)cc1)N1c2ccccc2OC[C@H]1c1ccccc1 8428819 BRYBVJWHEADVTD-NRFANRHFSA-N 413.437 3.208 0 40 HGAB COc1ccc(Cl)cc1NC(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O 8498358 PMCHCBFIWRTIEE-UHFFFAOYSA-N 404.822 3.032 0 40 HGAB Cc1nc(NS(=O)(=O)c2ccc(Cl)cc2)sc1C(=O)NCc1cccnc1 8978682 HIKZXZGLMKBDKU-UHFFFAOYSA-N 422.919 3.231 0 40 HGAB O=C1N[C@H](c2ccc3ncccc3c2)[C@@H](C(=O)c2cccs2)[C@](O)(C(F)(F)F)N1 9090294 HKFUBPZSIICYSI-DAYGRLMNSA-N 421.400 3.400 0 40 HGAB COc1ccc(-c2n[nH]c(NC(=O)Cc3c(C)c4c(O)cc(C)cc4oc3=O)n2)cc1 9418586 MSGQUPOJGTUGLO-UHFFFAOYSA-N 420.425 3.090 0 40 HGAB CC(=O)Nc1cccc(NC(=O)CSc2nnc3n2CCN3c2ccc(C)cc2)c1 9651606 NDACPJXTHFHJLL-UHFFFAOYSA-N 422.514 3.427 0 40 HGAB C[C@H](OC(=O)c1ccc(S(=O)(=O)C(F)F)cc1)C(=O)N1CCCc2ccccc21 9788337 KQNPGLWEABYASN-ZDUSSCGKSA-N 423.437 3.208 0 40 HGAB Cn1c(SCC(=O)N2CCCCCCC2)nnc1[C@@H]1COc2ccccc2O1 11501204 FSHYITKDIQSAQB-KRWDZBQOSA-N 402.520 3.212 0 40 HGAB COc1ccc(Cl)cc1C(=O)N1CCN(c2ccc(Nc3cccnc3)nn2)CC1 11697664 USCXAADACLLBAO-UHFFFAOYSA-N 424.892 3.240 0 40 HGAB CCOc1ccc([C@@H](O)CN2CCC3(CC2)C[C@H](O)c2cc(OC)ccc2O3)cc1 12293669 GFTZFYRDDBMVNZ-VXKWHMMOSA-N 413.514 3.478 0 40 HGAB C[C@@H](Oc1ccc(F)cc1)C(=O)N1CCC(c2noc(-c3ccc(O)nc3)n2)CC1 12408007 NEMDYJUAVARQDL-CYBMUJFWSA-N 412.421 3.150 0 40 HGAB CCOC(=O)c1cnc(S[C@@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)nc1N 12521570 YRBHGIXYMZDTIG-VIFPVBQESA-N 414.409 3.374 0 40 HGAB COc1cccc([C@@H](NS(=O)(=O)c2ccc(F)c(Cl)c2)c2nccn2C)c1 12547503 HIFNXMVMNBNVPF-QGZVFWFLSA-N 409.870 3.289 0 40 HGAB CCc1ccc(NC(=O)[C@@H]2CCC(=O)N2[C@@H]2OC(=O)c3c2ccc(OC)c3OC)cc1 12662006 MJTLFNZEUJHLJK-KSFYIVLOSA-N 424.453 3.065 0 40 HGAB biogenic COc1ccc([C@@H]2CCCCCN2C(=O)CCn2[nH]c(=O)c3ccccc3c2=O)cc1 12749699 HVASXDJDQHSALK-NRFANRHFSA-N 421.497 3.232 0 40 HGAB CCc1ccccc1Nc1nc(N)nc(COC(=O)C2C[C@@H]3CCC[C@H](C2)C3=O)n1 12823352 HHFHPRUAMGMGIO-XYPWUTKMSA-N 409.490 3.198 0 40 HGAB O=C(Nc1ccccc1F)N1CCN(c2ccc(-c3ccc4c(c3)OCO4)nn2)CC1 13665177 KHHAUPPREXTIJG-UHFFFAOYSA-N 421.432 3.366 0 40 HGAB CCCCN1C(=O)C[C@H](C(=O)Nc2nccs2)[C@H]1c1cccc(OC)c1OC 13689120 BNVWQQBTEWNRIK-WMLDXEAASA-N 403.504 3.489 0 40 HGAB CC[C@@H](C(=O)Nc1cccc(C(=O)OC)c1C)N(c1ccc(C)cc1)S(C)(=O)=O 13713642 IQTKCVMGBFDEOM-IBGZPJMESA-N 418.515 3.273 0 40 HGAB Brc1cncc(-c2nn3c(-c4ccc5c(c4)OCO5)nnc3s2)c1 13722377 ONDMUVLIPYBUGC-UHFFFAOYSA-N 402.233 3.406 0 40 HGAB C[C@H]1Sc2ccc(C(=O)Nc3cc(S(C)(=O)=O)ccc3Cl)cc2NC1=O 15911380 AUJLLXYYDZAZOT-SECBINFHSA-N 410.904 3.429 0 40 HGAB CCCCOC(=O)c1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)cc1 16638987 ICHHIVYQWCMTDN-UHFFFAOYSA-N 418.515 3.211 0 40 HGAB Cc1ccc(Cn2c(=O)c3c(nc(SCc4ccccc4)n3C)n(C)c2=O)cc1 16839527 NSGSTETZDCJQPN-UHFFFAOYSA-N 406.511 3.083 0 40 HGAB COc1ccccc1[C@@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 17793405 WIQIWEWFZIXPOM-QGZVFWFLSA-N 416.543 3.282 0 40 HGAB COc1cccc(C(=O)COC(=O)c2ccccc2N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 17988387 IWFUYMIHNZXSKU-QZTJIDSGSA-N 419.433 3.191 0 40 HGAB CCOc1ccc(NC(=O)c2cc(F)c(F)c(F)c2F)cc1S(=O)(=O)N(C)C 18088932 JVMLIEFEIMAPGX-UHFFFAOYSA-N 420.384 3.144 0 40 HGAB COCC(=O)N1C[C@H](c2ccc(F)cc2)[C@H]2CN(Cc3ccc(OC)cc3)CC[C@H]21 19592961 FAAJFJOVQVVXTG-DNVJHFABSA-N 412.505 3.297 0 40 HGAB COc1ccc(C(=O)Nc2nc(-c3ccc4c(c3)NC(=O)CO4)cs2)cc1OC 19796412 ITPSBHBTPURXQW-UHFFFAOYSA-N 411.439 3.411 0 40 HGAB O=C(N[C@@]1(C(F)(F)F)N=C(c2ccccc2)N(CCc2ccccc2)C1=O)C1CC1 19939457 RIMPKLDZJGPOIL-NRFANRHFSA-N 415.415 3.303 0 40 HGAB Cc1ccc([C@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)c(C)c1 20492132 HPQYJMBKLVJVQU-SFHVURJKSA-N 416.543 3.124 0 40 HGAB COc1ccc(CCC(=O)N2CCN(C(=O)c3cn(C)c4ccccc34)CC2)cc1 20719105 ROBUTTDHXBJGJX-UHFFFAOYSA-N 405.498 3.104 0 40 HGAB COc1cc(CNC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)ccc1OC(F)F 22425097 UECFZQLXJFKFMD-UHFFFAOYSA-N 415.437 3.059 0 40 HGAB CN(CC(=O)N1CCN(Cc2ccccc2)CC1)Cc1coc(-c2cccs2)n1 23865079 UCXXMCSPVIBVIO-UHFFFAOYSA-N 410.543 3.179 0 40 HGAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)[C@H]1CCCN(C(=O)c2cccs2)C1 24598533 LVXVTYWGKVRLAV-KRWDZBQOSA-N 413.543 3.314 0 40 HGAB CC(C)Oc1cccc(NC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)c1 30940445 PSRNDCLTQGXYMT-SFHVURJKSA-N 424.906 3.293 0 40 HGAB Cc1cc(N2CCN(C)CC2)ccc1NC(=O)CCc1nc(-c2cccs2)no1 32768552 GVABJHPZAANAEG-UHFFFAOYSA-N 411.531 3.430 0 40 HGAB C[C@H](CNC(=O)C[C@H](NC(N)=O)c1ccc(Br)cc1)c1ccccc1 32795968 AGHMIKIRVIJGQK-DYVFJYSZSA-N 404.308 3.469 0 40 HGAB O=C(C(c1ccccc1)c1ccccc1)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 33000016 KTVWAXQRUZRMEU-SFTDATJTSA-N 413.539 3.013 0 40 HGAB O=C(CSc1nc(-c2cccs2)n[nH]1)Nc1ccc(N2CCOCC2)cc1 33756609 ZHRJEAGZQYSLIC-UHFFFAOYSA-N 401.517 3.101 0 40 HGAB CCOc1ccc2nc(NC(=O)CC[C@@H]3NC(=O)c4ccccc4NC3=O)sc2c1 35598199 FOEJEMVOWHWAMY-INIZCTEOSA-N 424.482 3.164 0 40 HGAB COCCN1CN(c2ccccc2OC)c2nc(C)c(Cc3ccccc3)c(=O)n2C1 38830112 XSLKUQDTISUIIG-UHFFFAOYSA-N 420.513 3.166 0 40 HGAB O=C(NCc1noc(CN2CCC(OCc3ccccc3)CC2)n1)c1ccccc1 40060552 UIZZISZTEHNALU-UHFFFAOYSA-N 406.486 3.181 0 40 HGAB Cc1ccc(CN2CCCN(C(=O)[C@@H](C)NC(=O)/C=C/c3ccccc3)CC2)cc1 40086996 KHAYMRJBLBCRSE-QZMUEMGWSA-N 405.542 3.247 0 40 HGAB O=C(NCCCc1ccc(F)cc1)C1CCN(S(=O)(=O)c2cccs2)CC1 44899964 FFGMGVISLMNMSY-UHFFFAOYSA-N 410.536 3.037 0 40 HGAB CN1C[C@@H](C(=O)OCC(=O)Nc2c(Cl)c(Cl)cc(Cl)c2Cl)CC1=O 47735813 NKPDGTGBVDJVHO-LURJTMIESA-N 414.072 3.260 0 40 HGAB CC(=O)c1cccc(C(=O)NC2CCN(C(=O)c3cc(-c4ccccc4)n[nH]3)CC2)c1 49406752 OPTCQUPZSGRYPZ-UHFFFAOYSA-N 416.481 3.314 0 40 HGAB O=C(Cn1nc(-c2ccc(Br)cc2)ccc1=O)NCc1ccccc1F 49546144 VIPXTRXXQYTKFG-UHFFFAOYSA-N 416.250 3.128 0 40 HGAB O=C(NCC1(c2cccc(Br)c2)CCC1)c1ccnc(-n2cncn2)c1 54140892 GZBKKLPNQLAMFA-UHFFFAOYSA-N 412.291 3.277 0 40 HGAB COCCn1c(SCC(=O)NCCC2=CCCCC2)nc2ccsc2c1=O 57425717 FRQKBIPGEXUZIM-UHFFFAOYSA-N 407.561 3.203 0 40 HGAB CN(Cc1nc2ccccc2[nH]1)C(=O)[C@@H]1CS[C@]2(c3ccccc3)CCC(=O)N12 58004262 SIESYARRZUPILH-AVRDEDQJSA-N 406.511 3.112 0 40 HGAB COc1cccc(NC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)c3ccccc3O2)c1 64985274 FNRXKRPSSPBIPT-NRFANRHFSA-N 424.478 3.290 0 40 HGAB Cc1c(C(=O)NC[C@H](CO)Cc2ccccc2F)nnn1-c1ccc(F)c(Cl)c1 72303092 BMTQHFCZNJMASD-CYBMUJFWSA-N 420.847 3.088 0 40 HGAB O=C(Nc1ccn(CC(=O)N(Cc2ccco2)CC(F)(F)F)n1)c1ccccc1 72311125 UKHZASPRASKNIJ-UHFFFAOYSA-N 406.364 3.320 0 40 HGAB Cn1cnc(S(=O)(=O)N2CCC(c3cccc(Cc4ccc(F)cc4)n3)CC2)c1 72350339 AWAQEWITTYJBAQ-UHFFFAOYSA-N 414.506 3.113 0 40 HGAB CN(C[C@@H]1CCCCO1)c1ncc(Br)c(N(C)C[C@H]2CCCCO2)n1 79046813 HSHYNNFSILBTMG-CABCVRRESA-N 413.360 3.250 0 40 HGAB CCOC(=O)c1nnc(NC(=O)/C=C\c2ccc(OC(F)F)c(OCC)c2)s1 98056579 DORIPKMGCVXHJC-VURMDHGXSA-N 413.402 3.367 0 40 HGAB COc1ccccc1-c1cc2ncc3c(n2n1)C[C@H]1CC[C@H]3N1C(=O)c1ccnn1C 100752846 NHHHCYGYBYBNDX-RDTXWAMCSA-N 414.469 3.040 0 40 HGAB Cc1cc(-n2c(C)cc(C(=O)COC(=O)C34C[C@H]5C[C@@H](CC(O)(C5)C3)C4)c2C)no1 102501596 GHSBJMWMYDMWBB-TWVWUCKLSA-N 412.486 3.448 0 40 HGAB C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)C[C@H](O)[C@]4(C)[C@H]3C[C@H](O)[C@@]21C 139564022 DAKYVYUAVGJDRK-JBDKCJRKSA-N 408.579 3.449 0 40 HGAB endogenous,in-man CC[C@H](NC(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O)c1ccc(C)cc1 216483951 DHECTUUIVMEZNR-SFHVURJKSA-N 420.531 3.046 0 40 HGAB COc1ccc(Cl)cc1S(=O)(=O)NCCSc1nc(-c2ccccc2)n[nH]1 223006707 NBWDPWSHHOLFLW-UHFFFAOYSA-N 424.935 3.204 0 40 HGAB CC[C@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CCc1ccc2c(c1)OCCO2 223055345 VSRCRKDASLQXGE-HXUWFJFHSA-N 410.514 3.252 0 40 HGAB O=C(NCC1CCCCC1)C1CCN(S(=O)(=O)CCCc2ccccc2)CC1 224220443 ZJBNSJSTHITPIZ-UHFFFAOYSA-N 406.592 3.358 0 40 HGAB CC[C@@H](C(=O)NCCOc1ccc(C)c(C)c1)N(c1ccccc1)S(C)(=O)=O 224299128 PIPKTDSJUHLKLO-FQEVSTJZSA-N 404.532 3.043 0 40 HGAB COc1cccc(N(CCCC(=O)NCCSC2CCCC2)S(C)(=O)=O)c1 225734281 RRLVCYMNTZKVRV-UHFFFAOYSA-N 414.593 3.033 0 40 HGAB CSc1nnc(NC(=O)[C@H](C)N(c2cc(Cl)ccc2C)S(C)(=O)=O)s1 225823373 VCENQRDNBWOYNT-VIFPVBQESA-N 420.969 3.015 0 40 HGAB COc1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cc(C)ccc3C)C2)c1 225922543 QLSIDXZUZGKXBS-KRWDZBQOSA-N 402.516 3.351 0 40 HGAB O=C(N1CCOC[C@H](Cc2ccc3nccn3n2)C1)C1(c2ccccc2)CCCC1 257234852 GVIZEHCRYHSPBE-LJQANCHMSA-N 404.514 3.259 0 40 HGAB CC(=O)N1CC[C@@H]2[C@@H](CCCCN2Cc2cc(C(C)(C)C)ccc2OCC(N)=O)C1 257240315 HSZJLJXKCQELGR-GHTZIAJQSA-N 415.578 3.071 0 40 HGAB CCOc1ccc(Cc2cccc([C@@H]3CN(C(=O)c4ccc(N)nc4)CCO3)n2)cc1 257301778 RZWRUJPZDZTDRE-QFIPXVFZSA-N 418.497 3.262 0 40 HGAB CCc1ccc(N([C@H](C)C(=O)N[C@H](C)COc2ccc(C)cc2)S(C)(=O)=O)cc1 260592083 PGTFLQOGABVPRQ-QZTJIDSGSA-N 418.559 3.296 0 40 HGAB Cc1ccc(CN(CC(=O)N[C@H]2CC(C)(C)Oc3ccccc32)S(C)(=O)=O)cc1 260766924 KNQJRDMRWRUQME-IBGZPJMESA-N 416.543 3.175 0 40 HGAB CN1Cc2nnc(-c3cccs3)n2C2(CCN(C(=O)Cc3cccs3)CC2)C1 306128761 HJXIVOLYMRKXME-UHFFFAOYSA-N 413.572 3.074 0 40 HGAB CCOCCCNC(=O)CN(c1ccc(CC)cc1)S(=O)(=O)c1ccc(C)cc1 408547942 OTVHWNHPLMFHAC-UHFFFAOYSA-N 418.559 3.296 0 40 HGAB CC(C)NS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(F)cc2F)c(Cl)c1 409387613 RTOJXRJLFSCBPZ-UHFFFAOYSA-N 418.849 3.322 0 40 HGAB Cc1nc(Nc2ncc(C)s2)cc([C@@H]2CCN(C(=O)/C=C/c3ccnn3C)C2)n1 585292038 IVKOBCUHBICSCZ-MBVDDHJVSA-N 409.519 3.056 0 40 HGAB CC(C)(O)[C@H](Oc1ccccc1)C(=O)N1CCC(n2c(O)nc3ccccc32)CC1 1587666019 FOZCRQHABXZCBT-HXUWFJFHSA-N 409.486 3.124 0 40 HGAB Cc1nc(C(C)(C)C)nc(N2CCN(c3ncc(Br)cn3)CC2)c1F 1888869490 FPVDJIWMZOUFKZ-UHFFFAOYSA-N 409.307 3.101 0 40 HGAB COc1ccc(OC)c2sc(N3CCC[C@H](C(=O)N4CCSCC4)C3)nc12 1889184582 FEARMVCKBIFZHV-ZDUSSCGKSA-N 407.561 3.105 0 40 HGAB COc1ncccc1CN1CC[C@H]2NC(=O)COc3ccccc3CCCC[C@H]2C1 2037988962 PDPWEJVKJRCGLB-PZJWPPBQSA-N 409.530 3.202 0 40 HGAB CCCOC(=O)[C@@H]1[C@H]2C=C[C@]3(CN([C@@H](C)c4ccc(Br)cc4)C(=O)[C@H]13)O2 4124770 FMFOZGYRCXMSOM-DGUMQOSSSA-N 420.303 3.245 0 40 HGAB Cc1ccc(C)c(CSc2nc(-c3ccco3)nc3c2c(=O)n(C)c(=O)n3C)c1 4139167 HMRLENFVLKIRPI-UHFFFAOYSA-N 408.483 3.196 0 40 HGAB CCCc1nnc(NC(=O)CSc2nnc(-c3ccccc3OC)n2C)s1 4736356 RGVGDGRAOUSZAP-UHFFFAOYSA-N 404.521 3.026 0 40 HGAB Cc1ccc(NC(=O)N(CCN(C)C)Cc2cc3cc4c(cc3[nH]c2=O)OCO4)cc1 4860172 NMYUOOSXYPLFKM-UHFFFAOYSA-N 422.485 3.161 0 40 HGAB CCOc1ccc(S(=O)(=O)NCc2ccncc2)cc1NC(=O)c1ccccc1 4935264 QWIBPZGEITWMTP-UHFFFAOYSA-N 411.483 3.211 0 40 HGAB COc1ccc([C@@H]2c3ccc(O)cc3Oc3ncn(CCCN(C)C)c(=N)c32)cc1 5348761 HYIFZCLUNNDGSY-HXUWFJFHSA-N 406.486 3.314 0 40 HGAB CCOC(=O)c1ccc(NC(=O)CSc2nnc(COc3ccccc3)[nH]2)cc1 6327654 LUPKVWHMHJQLFU-UHFFFAOYSA-N 412.471 3.291 0 40 HGAB O=C(O)c1cccc(NC(=O)c2cc(S(=O)(=O)N3CCCCCC3)cs2)c1 6680765 MRDYHBCVZLMYPE-UHFFFAOYSA-N 408.501 3.263 0 40 HGAB CC(=O)N/C(=C/c1ccccc1)C(=O)OCC(=O)c1cc(C)n(C[C@H]2CCCO2)c1C 6903127 RLEQAGLNGNOKMT-CCULFSDZSA-N 424.497 3.187 0 40 HGAB O=C(N[C@@H]1CCN(Cc2ccccc2)C1)C1CCN(C(=O)Nc2ccccc2)CC1 7988586 PSGVWFZBBWVYHK-JOCHJYFZSA-N 406.530 3.321 0 40 HGAB CC(C)(C)C(=O)NCc1ccc(C(=O)CSc2nnnn2C2CCCC2)s1 8075416 LPDHNOXFJMCHON-UHFFFAOYSA-N 407.565 3.487 0 40 HGAB COC(=O)c1ccc(CNC(=O)c2cc(OC)c(Br)c(OC)c2)cc1 8772611 SJJKNYSWLBVKFY-UHFFFAOYSA-N 408.248 3.183 0 40 HGAB CCCCc1c(O)nc(SCC(=O)NC(C)(C)C)n(-c2ccc(OC)cc2)c1=O 9331245 RSWBQCHZCLBCKD-UHFFFAOYSA-N 419.547 3.296 0 40 HGAB Cc1ccc2nc3c(cc(C(=O)NCc4cccnc4)n3Cc3ccccc3)c(=O)n2c1 9580826 LVKUHVWEXOJVNC-UHFFFAOYSA-N 423.476 3.331 0 40 HGAB COc1ccc(N(CC(=O)N[C@@H](C)CCc2ccccc2)S(C)(=O)=O)cc1Cl 9615248 ZKOWUDOVUKGKDS-HNNXBMFYSA-N 424.950 3.252 0 40 HGAB CC(=O)c1cccc(NC(=O)CSc2nnc(-c3ccccn3)n2-n2cccc2)c1 9707805 AQTDBWHWDLHLHG-UHFFFAOYSA-N 418.482 3.386 0 40 HGAB Cc1nc(/C=C/C(=O)NCCN2C(=O)S/C(=C\c3ccccc3F)C2=O)cs1 10642633 UPXPOZPGPIXMOE-OCSBKKPVSA-N 417.487 3.457 0 40 HGAB O=c1[nH]c(CN2CCN(c3nccs3)CC2)nc2scc(-c3ccccc3)c12 11411331 JRHNVEMDQCFEAS-UHFFFAOYSA-N 409.540 3.430 0 40 HGAB CCN1CCC[C@@H]1CNC(=O)c1nc(-c2cc(OC)c(OC)c(OC)c2)sc1C 11691875 YYMRPVBDWHLUOB-OAHLLOKOSA-N 419.547 3.358 0 40 HGAB COc1ccc(S(=O)(=O)Nc2nc(C(=O)N3CCc4ccccc43)cs2)cc1 11693243 CWNKWUYVLMKXCI-UHFFFAOYSA-N 415.496 3.155 0 40 HGAB Cc1cc(-c2cncnc2-c2ccc(CNC(=O)c3ccc(C)[nH]c3=O)cc2)on1 12159007 QWKRMYOXLIJZIZ-UHFFFAOYSA-N 401.426 3.034 0 40 HGAB COc1cccc(O[C@H](C)C(=O)N2CCC[C@@H](c3noc(-c4cnc(C)cn4)n3)C2)c1 12187746 UXHZWEDKIQCYSB-HZPDHXFCSA-N 423.473 3.017 0 40 HGAB C[C@H]1CN(C(=O)c2ccc(NS(=O)(=O)c3ccc(F)c(F)c3)cc2)C[C@@H](C)O1 12508061 IMLITECMWGNXRA-BETUJISGSA-N 410.442 3.015 0 40 HGAB CC(C)c1ccc([C@H](C)NC(=O)C2CCN(S(=O)(=O)c3ccn(C)c3)CC2)cc1 12906559 PBFLABQJSDMDOD-KRWDZBQOSA-N 417.575 3.427 0 40 HGAB Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 12913195 HVFPFEFAGCXOKH-UHFFFAOYSA-N 400.442 3.240 0 40 HGAB CCn1c(-c2ccccc2)nn(CN(CC(C)C)[C@H]2CCS(=O)(=O)C2)c1=S 12924264 BCOLQKZWBKTQGT-KRWDZBQOSA-N 408.593 3.204 0 40 HGAB C[C@H](NC(=O)C[C@@H](NC(N)=O)c1ccccc1Cl)c1ccc2c(c1)OCCO2 12950173 SLPPQRHHGRZSRZ-BLLLJJGKSA-N 403.866 3.088 0 40 HGAB c1ccc(Cn2nnnc2[C@H](c2cccnc2)N2CCN(c3ccccc3)CC2)cc1 13116404 LNWCSHCCFJYCEZ-QHCPKHFHSA-N 411.513 3.028 0 40 HGAB CCOC(=O)c1cccc(NC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)c1C 13632067 GVBHJBXZNFTTJL-UHFFFAOYSA-N 424.906 3.230 0 40 HGAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCCN(C)C)ccc2Cl)cc1 13672496 RVGFHTCIDABVLN-UHFFFAOYSA-N 409.939 3.131 0 40 HGAB CCN(c1ccc(C(=O)Nc2ccccc2C(=O)NC(C)(C)C)cc1)S(C)(=O)=O 13678833 GEMYVNHPDJRXDD-UHFFFAOYSA-N 417.531 3.253 0 40 HGAB CCC[C@@H](C)NC(=O)COC(=O)[C@H](NC(=O)Cc1cccc2ccccc12)C(C)C 14240993 IVFYEKWFFCDJHL-UZUQRXQVSA-N 412.530 3.371 0 40 HGAB CCCCc1cc(C[C@H]2CNCC[C@H]2CC(=O)NCc2ccc3c(c2)OCO3)no1 15673383 OOSVPDNXKKEUCB-ROUUACIJSA-N 413.518 3.221 0 40 HGAB biogenic,in-vitro CCN(c1ccc(C)cc1)S(=O)(=O)c1nnc(NC(=O)c2ccccc2F)s1 15674599 IEQQLRGNCDHTDU-UHFFFAOYSA-N 420.491 3.453 0 40 HGAB Cc1ccc2c(CN3CCN(Cc4ccc5c(c4)OCO5)CC3)cc(=O)oc2c1C 19352222 GILNENKPNRBYRD-UHFFFAOYSA-N 406.482 3.456 0 40 HGAB biogenic COc1cc(CN[C@@H]2CCC(=O)N[C@H]2c2cc(F)cc(F)c2)cc(OC)c1OC 19549924 CFMFJCONSDPKMC-UZLBHIALSA-N 406.429 3.100 0 40 HGAB O=C(NCc1ccccc1)[C@]1(Cc2ccccn2)CN(Cc2ccc(F)cc2)CCO1 19700906 KVVIRHRSKQCORD-VWLOTQADSA-N 419.500 3.351 0 40 HGAB Cc1nc([C@H]2CCCCN2S(C)(=O)=O)nc2c1CCCN2CCc1ccccc1 19706889 QSNOYTDSOSXGNT-HXUWFJFHSA-N 414.575 3.267 0 40 HGAB COc1ccccc1CCC1CCN(C(=O)c2nc3ccccc3n(C)c2=O)CC1 19718488 DDYZVQYOZCBDJG-UHFFFAOYSA-N 405.498 3.427 0 40 HGAB CCOc1cc([C@H]2c3c(-c4cc(C)ccc4O)n[nH]c3C(=O)N2CCOC)ccc1O 21782761 BSYQTBCFEQPUEK-QFIPXVFZSA-N 423.469 3.387 0 40 HGAB COc1ccc(/C=C/C(=O)N[C@H](c2cc(OC)cc(OC)c2)c2nccn2C)cc1 22469920 JEIFEFVBXJQNFU-HWWNHIDJSA-N 407.470 3.365 0 40 HGAB O=C(CSc1nncs1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 24291391 XEZQYZWLFVNCEV-UHFFFAOYSA-N 423.873 3.046 0 40 HGAB CC(=O)NCc1ccc(-c2csc(NC(=O)c3cc(C)nc4c3c(C)nn4C)n2)o1 25170865 ARACKLUTLXHMTM-UHFFFAOYSA-N 424.486 3.190 0 40 HGAB CCOc1ccc(NC(C)=O)cc1S(=O)(=O)N(Cc1ccco1)CC(F)(F)F 32718996 DQXWPGOXHMQYLN-UHFFFAOYSA-N 420.409 3.390 0 40 HGAB Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)N(C)Cc3ccc(Cl)s3)C2=O)cc1 32835397 LBKHTMJPAZUXAI-LJQANCHMSA-N 405.907 3.136 0 40 HGAB COc1ccc(COC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)cc1 32962619 OQTKNMRTFAATIV-UHFFFAOYSA-N 417.527 3.456 0 40 HGAB Cc1cccc(CN2CCC(C(=O)NCc3cccc(CN4CCOCC4)c3)CC2)c1 38831229 MODCVDBRVRAVHM-UHFFFAOYSA-N 421.585 3.356 0 40 HGAB CCCCNc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)c1cnc(C)cn1 40059936 BIRWBJDHRUUNRQ-UHFFFAOYSA-N 419.551 3.280 0 40 HGAB COCCn1c(SCC(=O)Nc2ccc3c(c2)CCC3)nc2ccsc2c1=O 57425906 XBSHSIYNLDLXJM-UHFFFAOYSA-N 415.540 3.324 0 40 HGAB CCN(CC)[C@@H](CNS(=O)(=O)c1ccc(N2CCCC2=O)cc1C)c1ccco1 57997193 APABDUIOSONVQI-SFHVURJKSA-N 419.547 3.076 0 40 HGAB Cc1sc2[nH]c(CCC(=O)NCCCCN3C[C@H](C)C[C@@H](C)C3)nc(=O)c2c1C 58023505 KYZISGOJBPEHSY-HUUCEWRRSA-N 418.607 3.408 0 40 HGAB CCOc1ccccc1NC(=O)c1nnn(CC(=O)Nc2ccc(C)c(C)c2)c1C 67322238 VGAKUTIZGCMDJB-UHFFFAOYSA-N 407.474 3.493 0 40 HGAB CCCc1noc(-c2ccnc(-n3cnc(C(=O)NCc4ccc(F)cc4)c3)c2)n1 71768449 PKBQZXJUQCYHPF-UHFFFAOYSA-N 406.421 3.339 0 40 HGAB O=C(CN1CCCCc2ccccc21)N(C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 72308623 QBPVSRPSYVGCTI-HXUWFJFHSA-N 404.576 3.178 0 40 HGAB CCSc1ncc(CN2CCC[C@H](c3cc(=O)[nH]c(-c4ccncc4)n3)C2)cn1 72393032 HXJPYOPQHOJTMW-KRWDZBQOSA-N 408.531 3.114 0 40 HGAB CC[C@@](C)(CCCNC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O)C1OCCO1 79015089 UKQJVGSEWIWMLM-QFIPXVFZSA-N 416.522 3.175 0 40 HGAB COc1ccc(NC(C)=O)cc1NS(=O)(=O)c1cc(C(=O)O)cc(C)c1Cl 89587169 QPAOWKFIKVJQRJ-UHFFFAOYSA-N 412.851 3.114 0 40 HGAB Cc1noc(-c2cccnc2N2CCC(NC(=O)C3(c4ccccc4)CC3)CC2)n1 90592007 LXQBWGORNINTME-UHFFFAOYSA-N 403.486 3.257 0 40 HGAB COc1cccc2sc(OC3CN(S(=O)(=O)c4c(F)cccc4F)C3)nc12 90594421 ONKXPZHPKSZPJY-UHFFFAOYSA-N 412.439 3.035 0 40 HGAB O=C(C[C@H]1CC2(CCN(C(=O)c3ccco3)CC2)c2ccccc21)N1CCOCC1 96052824 CUCWAEJTWPZIPZ-SFHVURJKSA-N 408.498 3.190 0 40 HGAB CCOC(=O)C1CCN(C(=O)CSCc2cccc(Br)c2)CC1 165301127 XUQMMNRNUJMXHB-UHFFFAOYSA-N 400.338 3.484 0 40 HGAB Cc1ccc(OC[C@H](C)NC(=O)[C@@H](C)N(c2cccc(C)c2)S(C)(=O)=O)cc1 220149526 FPJSADZAFIQSDB-ZWKOTPCHSA-N 404.532 3.042 0 40 HGAB CC[C@@H](C(=O)N1CCCc2ccccc21)N(c1cccc(OC)c1)S(C)(=O)=O 220625154 RBSUQIRQEYOVPR-IBGZPJMESA-N 402.516 3.219 0 40 HGAB CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc2c(c1)OCO2 222580507 VWZQZUXKQFTWPI-AWEZNQCLSA-N 402.878 3.165 0 40 HGAB Cc1cccc(CSCC(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)c1 222740574 LIXUQMPJVJIEHZ-UHFFFAOYSA-N 404.557 3.068 0 40 HGAB CSc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](C)c2ccc3c(c2)CCC3)cc1 223255893 NFWAGEBLZXPFTA-HNNXBMFYSA-N 418.584 3.395 0 40 HGAB CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccccc1OC 223727139 LIGOXQYTRRICDI-HNNXBMFYSA-N 404.894 3.281 0 40 HGAB O=Cc1ccccc1OC(=O)c1cccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@H]3C2=O)c1 226405150 RFLWIOWPGUENSI-SFGIZBKVSA-N 413.429 3.276 0 40 HGAB CCOc1ccccc1-c1nc(SCC(=O)Nc2ccccc2C(=O)OC)n[nH]1 408526475 BRCSLEYSXDCNPN-UHFFFAOYSA-N 412.471 3.388 0 40 HGAB O=C(COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1Cl)NC1CC1 408635594 FNRHSUQEPNWVFJ-UHFFFAOYSA-N 415.298 3.452 0 40 HGAB CC[C@@H](C)[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)OCC(=O)c1ccc(F)cc1 409004157 WTOQBAHTBQYQKI-FOIQADDNSA-N 421.490 3.253 0 40 HGAB O=C(Cc1csc(-c2cnccn2)n1)N1CCO[C@@H](c2ccccc2Cl)C1 505130985 PXEYVAKLXHDYRR-QGZVFWFLSA-N 400.891 3.396 0 40 HGAB CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCC(=O)Nc1cnn(CC(=O)NC2CCCC2)c1 521234943 HTYGHYAITXLESZ-UXPWSPDFSA-N 404.555 3.358 0 40 HGAB CCCCN1CCC2(CCCCOCCCNC(=O)[C@H](CC(C)C)NC2=O)CC1 643581515 JTLZKYGUNMVFLS-FQEVSTJZSA-N 409.615 3.106 0 40 HGAB Cc1ccc(OC[C@@]2(O)CCCN(CC(=O)Nc3nnc(C(C)C)s3)C2)cc1C 2037916129 PZZYALZBJZNOLV-OAQYLSRUSA-N 418.563 3.123 0 40 HGAB Cc1cc(S(=O)(=O)N2CC3(C[C@H](N4CCCC4)CS3)C2)c(C)cc1Cl 2056224704 QLPGGTXJMBONDU-HNNXBMFYSA-N 400.997 3.301 0 40 HGAB COc1cc(NC(=O)[C@H](NC(=O)C2CCCCC2)C(C)C)ccc1N1CCCC1=O 11447350 YDPYCMWEYATWRG-OAQYLSRUSA-N 415.534 3.482 0 40 HGAB Cc1noc(NS(=O)(=O)c2ccc(NC(=O)c3cccnc3Cl)cc2)c1C 2503085 VGDDJWXUHLCDRK-UHFFFAOYSA-N 406.851 3.393 0 40 HGAB CCc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccc(Cl)cc3)CC2=O)cc1 1290012 LWWJVZREPKISHJ-OAHLLOKOSA-N 400.862 3.437 0 40 HGAB CC(C)(C)OC(=O)[C@@H]1C(=O)C[C@@](C)(O)[C@@H](C(=O)OC(C)(C)C)[C@H]1c1ccc(O)cc1 4112420 IAIPIVRRJFSQNH-PMECCGAFSA-N 420.502 3.115 0 40 HGAB COCCn1c(SCC(=O)Nc2ccc(F)cc2)nnc1-c1ccc(OC)cc1 4169153 WTHISBMUQJPLBM-UHFFFAOYSA-N 416.478 3.470 0 40 HGAB O=C(Cn1nnc2ccccc21)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1 32722383 SHKYMVCXWPBZBP-UHFFFAOYSA-N 408.849 3.326 0 40 HGAB CCCCCNC(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(C)(=O)=O 6308641 BUTNUKZJEYYTAC-UHFFFAOYSA-N 400.850 3.431 0 40 HGAB O=C(CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)Nc1nc(-c2ccccc2Cl)cs1 102349543 KOYRWDYYAZQPQS-TXEJJXNPSA-N 401.875 3.353 0 40 HGAB Cc1ccc(Nc2nc(N)nc(COC(=O)Cc3coc(-c4ccccc4)n3)n2)cc1 32837703 CKDCIDUWCCPEAJ-UHFFFAOYSA-N 416.441 3.447 0 40 HGAB O=C(Nc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1F)c1ccccc1Cl 8810353 WXNCKKHGWQZVBE-LBPRGKRZSA-N 412.870 3.189 0 40 HGAB C[C@@H]1CCCN(C(=O)CN(c2ccc(OCc3ccccc3)cc2)S(C)(=O)=O)C1 10541560 JWXCKKGFLZDLIG-GOSISDBHSA-N 416.543 3.290 0 40 HGAB CCOc1ccc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)cc1OC 106758288 LNBXHQAKJFVOPI-ATVHPVEESA-N 404.488 3.143 0 40 HGAB CCOC(=O)C1=C(C)N=C2S[C@H](CC)C(=O)N2[C@@H]1c1ccc(OC(C)=O)cc1 2702469 KYVGNUXANDEZKD-NVXWUHKLSA-N 402.472 3.214 0 40 HGAB CCCc1n[nH]c(SCC(=O)N2c3ccccc3NC(=O)C[C@H]2C(F)(F)F)n1 22286314 YERULKWFXWMURR-LBPRGKRZSA-N 413.425 3.156 0 40 HGAB Cn1ncc2c1ncn1nc(-c3cnn4c3N[C@@H](c3ccccc3)C[C@H]4C(F)F)nc21 2802383 QQDBQJICHLZLLF-CABCVRRESA-N 421.415 3.238 0 40 HGAB C[C@@H]1[C@@H](NC(=O)CSc2nnc([C@@H]3COc4ccccc4O3)n2C)CCC[C@H]1C 103499740 ZXUWKZYXTVDXLD-LLDVTBCESA-N 416.547 3.361 0 40 HGAB COc1ccc(OC)c(N2C[C@H](C(=O)Nc3cnc(-c4ccccc4)nc3)CC2=O)c1 58154081 DYXIYMZRLIOTEX-MRXNPFEDSA-N 418.453 3.152 0 40 HGAB C[C@H]1CN(C(=O)COc2cc(O)c3c(=O)cc(-c4ccccc4)oc3c2)C[C@H](C)O1 9486275 GHCWLGOHHUXUIO-GJZGRUSLSA-N 409.438 3.180 0 40 HGAB biogenic COC(=O)C[C@H](C)Nc1nc(CN2CCOCC2)nc2sc3c(c12)CC[C@H](C)C3 24528057 WLDZQYLLLZLCMT-KBPBESRZSA-N 418.563 3.012 0 40 HGAB CN(Cc1c(F)cccc1Cl)Cn1cc(S(=O)(=O)N(C)C)ccc1=S 25469945 VBUFQNFCZRIHLF-UHFFFAOYSA-N 403.932 3.350 0 40 HGAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)N[C@H](C)c2cc(C)c(C)cc2C)cc1C 22539378 OCBZWYQXDSKFFK-QZTJIDSGSA-N 418.559 3.473 0 40 HGAB CC(=O)NC12C[C@H]3C[C@H](C1)CC(C(=O)OCC(=O)N[C@@H](C)c1ccc(F)cc1)(C3)C2 102788241 WLEAFJWIUTUUNB-UWCORRSUSA-N 416.493 3.021 0 40 HGAB O=C(CSc1nnnn1-c1ccc(O)cc1)Nc1ccc(N2CCCCCC2)cc1 9781246 VSHKOQPNSYLVKS-UHFFFAOYSA-N 424.530 3.479 0 40 HGAB Cc1nc(-c2ccccc2)sc1C(=O)N1CCC[C@H](CNS(=O)(=O)C(C)C)C1 58264588 KXAQNDSLTYNTBP-MRXNPFEDSA-N 421.588 3.299 0 40 HGAB COc1ccc([C@H](C)NC(=O)CCCN(c2ccccc2F)S(C)(=O)=O)cc1 113965932 HPOHSAQKJNHVNW-HNNXBMFYSA-N 408.495 3.258 0 40 HGAB CC(=O)c1ccccc1NC(=O)COC(=O)CNC(=O)c1ccc(Cl)cc1Cl 3301376 BJCMPIXRBNNFPO-UHFFFAOYSA-N 423.252 3.108 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCSc3ccccc3)C2)s1 27806109 IXYQDQBHXBDMPW-INIZCTEOSA-N 424.613 3.366 0 40 HGAB Cc1cc2oc(C(=O)NC[C@H](c3cccs3)N3CCOCC3)cc(=O)c2cc1C 28289100 RPWPXULPCDFKSP-QGZVFWFLSA-N 412.511 3.275 0 40 HGAB Nc1c(C(=O)NCCc2ccccc2)c2nc3ccccc3nc2n1C[C@H]1CCCO1 2370109 QEAMAUYUBIWOMW-QGZVFWFLSA-N 415.497 3.318 0 40 HGAB COc1ccc(/C=C2/SC(=O)N(CC(=O)N[C@H]3CCCC[C@@H]3C)C2=O)cc1OC 89927679 WBNCKQLRAWTVIR-DCZLZTFESA-N 418.515 3.435 0 40 HGAB COc1ccc(CN2C(=O)[C@@H](CCC(=O)Nc3ccc(F)c(F)c3)N=C2O)cc1 36589859 WJBHWCCRNYEFBY-QGZVFWFLSA-N 403.385 3.017 0 40 HGAB CN(C)C[C@H](CNC(=O)Nc1ccc(N2CCCCC2)nc1)[C@H](O)c1ccccc1 48278421 CMJOFTRJPPJZHU-SIKLNZKXSA-N 411.550 3.105 0 40 HGAB COCCn1c(N)c(S(=O)(=O)c2ccc(C)c(C)c2)c2nc3ccccc3nc21 2400100 NXSXDSFXZMMIHI-UHFFFAOYSA-N 410.499 3.263 0 40 HGAB C[C@@H](NS(=O)(=O)c1ccc(C2CCCCC2)cc1)c1cccc(S(N)(=O)=O)c1 12984596 DRGXTJULSYARPQ-OAHLLOKOSA-N 422.572 3.421 0 40 HGAB COc1cc(NC(=O)C(=O)c2c(C)nn(-c3ccccc3)c2C)cc(OC)c1OC 12926724 HSAUXMDLKFKMPM-UHFFFAOYSA-N 409.442 3.336 0 40 HGAB COc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3ccc(Cl)cc3C)C2=O)cc1 8888959 UKZQNPKOOAISIB-FQEVSTJZSA-N 401.850 3.063 0 40 HGAB O=C(COc1ccc(S(=O)(=O)NC2CCCC2)cc1)Nc1ccc(F)cc1F 13843103 XRUVTBTWQRFKSM-UHFFFAOYSA-N 410.442 3.203 0 40 HGAB CC(C)COc1ccc(C(=O)N/C(=C\c2ccccc2)C(=O)NCCC(=O)O)cc1 5230672 SWWAGURWRVZPNE-ZHZULCJRSA-N 410.470 3.083 0 40 HGAB biogenic CCN(C(=O)c1cc(S(=O)(=O)N(C)C)ccc1Br)c1ccccc1 14198836 BYTJBRDNYAKKAE-UHFFFAOYSA-N 411.321 3.366 0 40 HGAB COc1cc2c(cc1OC)CN(C(=O)CCn1c(=O)oc3cc(Cl)ccc31)CC2 14200200 JJIQIJKFOHLAKF-UHFFFAOYSA-N 416.861 3.240 0 40 HGAB O=S(=O)(Nc1cccc(S(=O)(=O)Nc2ccccc2F)c1)c1ccccc1 5602283 GKGUGTHOIQUYEO-UHFFFAOYSA-N 406.460 3.427 0 40 HGAB COC(=O)c1ccc(CNC(=O)COC(=O)C2(c3ccccc3F)CCCC2)cc1 4914051 FTNYWKBQTAKYIF-UHFFFAOYSA-N 413.445 3.284 0 40 HGAB CCCSc1nc2ccccc2c(=O)n1-c1cc(S(=O)(=O)N(C)C)ccc1C 7000575 IQNZULREWQOFPB-UHFFFAOYSA-N 417.556 3.447 0 40 HGAB COc1ccc(CNC(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc2)cc1 7064381 NSQQKBIJQIITMY-IRXDYDNUSA-N 416.543 3.292 0 40 HGAB CN(CC(=O)Nc1ccccc1Cl)C(=O)C[C@@H]1Sc2ccccc2NC1=O 8285325 SDCDMRJYDDDMJQ-INIZCTEOSA-N 403.891 3.240 0 40 HGAB COC(=O)c1ccc(CC(Cc2ccc(C(=O)OC)s2)(C(C)=O)C(C)=O)s1 9426707 PFAFHZKSBNIIOU-UHFFFAOYSA-N 408.497 3.332 0 40 HGAB CC(C)c1ccc(OCc2nnc(SCC(=O)N3CCCC[C@H]3C)n2N)cc1 8428983 SOKJIGIIYCWKRM-OAHLLOKOSA-N 403.552 3.187 0 40 HGAB COCCn1cc(C(=O)NCCn2ccc3ccc(F)cc32)c2ccccc2c1=O 72402130 DIRPLTGLSVBZEG-UHFFFAOYSA-N 407.445 3.172 0 40 HGAB Cn1cnc(CCNC(=O)c2ccc(NC(=O)c3cc(Cl)cc(Cl)c3)cc2)n1 79070269 UWGJHHPMNMGCKJ-UHFFFAOYSA-N 418.284 3.347 0 40 HGAB COc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3OC)C2=O)cc1O 409210695 LZXVQAMONBMVPH-YVLHZVERSA-N 414.439 3.084 0 40 HGAB Cn1cnc(S(=O)(=O)Nc2[nH]ncc2-c2ccccc2Br)c1Cl 89761504 JWBCIQXBLYGVLI-UHFFFAOYSA-N 416.688 3.027 0 40 HGAB C[C@@H](C(=O)N[C@H]1CCCc2ccccc21)N(c1ccc(F)c(F)c1)S(C)(=O)=O 113956650 JNZWOEXPFRMUTR-DJJJIMSYSA-N 408.470 3.313 0 40 HGAB CC(=O)c1cccc(N2C(SCc3cccc(F)c3)=N[C@@H]3CS(=O)(=O)C[C@H]32)c1 32639883 ZRHFSMUKCWAJRR-RTBURBONSA-N 418.515 3.303 0 40 HGAB c1ccc(N2CCN(c3nc4ccccc4c4nc(-c5ccncc5)nn34)CC2)nc1 6805471 QDZSNGPLTNPUMQ-UHFFFAOYSA-N 408.469 3.061 0 40 HGAB COc1ccc(C(=O)N(C)[C@@H](C)c2ccc(F)cc2)cc1S(=O)(=O)NC1CC1 32842987 AUWRKJABTMHNGG-ZDUSSCGKSA-N 406.479 3.108 0 40 HGAB CCOCCCNc1ccc(C(=O)O)cc1S(=O)(=O)N[C@H](C)c1ccccc1 217479824 BYJFJTTUGBTVMO-OAHLLOKOSA-N 406.504 3.263 0 40 HGAB COc1ccc2c(c1)C(=O)N[C@]1(CC2)CCN([C@H](C)Cc2ccc(OC)c(OC)c2)C1 72395783 QTGUMDXHONAXJW-CRICUBBOSA-N 424.541 3.464 0 40 HGAB CCc1ccc(N([C@H](C)C(=O)NCCCc2ccc(F)cc2)S(C)(=O)=O)cc1 220282946 YQAXHDYSKQVPDL-MRXNPFEDSA-N 406.523 3.292 0 40 HGAB Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN(C)C)n1-c1cccnc1 223219227 JMSZAGRNERAHIX-YADHBBJMSA-N 420.586 3.500 0 40 HGAB C[C@@H](C(=O)Nc1ccc(N2CCCC2)cc1)N(c1ccc(F)cc1)S(C)(=O)=O 224913045 PJLXMFPPHVOLGC-HNNXBMFYSA-N 405.495 3.219 0 40 HGAB CC[C@@H](NC(=O)CCc1ccc2c(c1)OCCO2)c1ccc(S(C)(=O)=O)cc1 222646266 UXMQHMUWZGXABW-GOSISDBHSA-N 403.500 3.061 0 40 HGAB C[C@H](C(=O)N1CCC(Cc2ccccc2)CC1)N(c1ccccc1F)S(C)(=O)=O 220301440 SGIOQPZISDNTOB-QGZVFWFLSA-N 418.534 3.462 0 40 HGAB Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)N[C@@H](C)C(C)C)Oc3ccccc32)cc1 225201740 RUWVEOCJTCSFBU-JXFKEZNVSA-N 402.516 3.112 0 40 HGAB O=C(Nc1ccccc1)[C@H]1Cn2ccnc2C2(CCN(C(=O)c3ccccc3)CC2)O1 96144579 DDJDEIBWZAHGMR-HXUWFJFHSA-N 416.481 3.052 0 40 HGAB Cc1ccc(S(N)(=O)=O)cc1C(=O)Nc1ccc2nc(-c3ccccc3)[nH]c2c1 683182394 CWNIBDHDFGYNBO-UHFFFAOYSA-N 406.467 3.438 0 40 HGAB COc1ccc(C(=O)C2CCN(C(=O)CNC(=O)c3ccc(C)c(C)c3)CC2)cc1 12741775 HPTUQKBQLLBQLP-UHFFFAOYSA-N 408.498 3.163 0 40 HGAB COC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)Cc2cccc3ccccc23)cc1 12857288 JYFROPMGDJNMFW-MRXNPFEDSA-N 412.511 3.334 0 40 HGAB CCC[C@H](C)NC(=O)[C@@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1 13682294 WIBBEVGMMATGCI-JXFKEZNVSA-N 402.516 3.089 0 40 HGAB CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 14401864 QNQUJPJHHVGADO-RXVVDRJESA-N 412.486 3.400 0 40 HGAB C[C@H]1CCc2c(sc(NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)O)c2C(=O)NC2CC2)C1 17082483 BDMVNYBTHTVSCW-YUTCNCBUSA-N 402.516 3.371 0 40 HGAB Cc1cc(-c2cc3nc(C)c(C)c(N4CCC(O)(c5cccnc5)CC4)n3n2)no1 19119571 LASWPMHHNQOSMA-UHFFFAOYSA-N 404.474 3.193 0 40 HGAB Cc1cc(O)n2nc([C@@H]3CCCN(C(=O)C[C@H](C)n4nc(C)c(C)c4C)C3)cc2n1 100138034 GCGYYTAIIGUVPI-KBXCAEBGSA-N 410.522 3.222 0 40 HGAB CC1(C)Oc2c(O)cccc2[C@H]2OC[C@@]3(C[C@@H]21)CN(Cc1cscn1)CCO3 643913307 QDDZEJUETHUPJS-YRISNDGFSA-N 402.516 3.369 0 40 HGAB COc1ccc(CC[C@@H](C)N2C[C@H]3C(=O)Nc4ccccc4C(=O)N[C@@]3(C)C2)cc1 12231770 JCUNPTDUKFRLKK-NKNQFRNOSA-N 407.514 3.089 0 40 HGAB Cc1ccnc(N2CCN(c3ncc(Br)cc3C(F)(F)F)CC2)n1 1889109972 DWNOBAAZOSOFRO-UHFFFAOYSA-N 402.218 3.288 0 40 HGAB COc1ncccc1CNC(=O)c1ccc(Cl)cc1I 32924560 HQRJBIRXAFLKBG-UHFFFAOYSA-N 402.619 3.278 0 40 HGAB CSCc1nnc(NC(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)o1 2720220 GKSOCMWXANXKHI-UHFFFAOYSA-N 418.500 3.010 0 40 HGAB CCn1c(=O)c2c(nc3n(-c4cccc(C)c4C)c(-c4ccccc4)cn23)n(C)c1=O 4370593 LIERIMZGADIIEC-UHFFFAOYSA-N 413.481 3.442 0 40 HGAB O=C(CSc1ccc2nnc(-c3ccncc3)n2n1)N1CCCc2ccccc21 4327987 ZKOBSRKTLDULBD-UHFFFAOYSA-N 402.483 3.258 0 40 HGAB O=C(CCCc1ccccc1)NCCOc1ccc2nnc(-c3ccccc3)n2n1 11693844 XORLKNZFGAVKGC-UHFFFAOYSA-N 401.470 3.309 0 40 HGAB COc1ccc(Cl)cc1C(=O)NCCNC(=O)c1ccc(NC(=O)C(C)C)cc1 13854580 CMYYOVNCRVEYQZ-UHFFFAOYSA-N 417.893 3.103 0 40 HGAB Cc1nc(SCc2cccc(Cl)c2)[nH]c(=O)c1CC(=O)NCc1ccccn1 23138574 TVVSIDNZLLMJOP-UHFFFAOYSA-N 414.918 3.278 0 40 HGAB CCc1ccc([C@@H](NC(=O)Cn2[nH]c(=O)c3ccccc3c2=O)c2cccs2)cc1 10447492 CZVICXGPJLLQBE-OAQYLSRUSA-N 419.506 3.220 0 40 HGAB O=C(CCNC(=O)c1cccs1)NCc1ccc(N2CCc3ccccc3C2)nc1 40145604 SHVYMCYRWAACFO-UHFFFAOYSA-N 420.538 3.142 0 40 HGAB COC(=O)c1cc(NC(=O)N2CCc3[nH]cnc3[C@@H]2c2ccncc2)ccc1Cl 40287642 VWJBNVDZSGPCJM-SFHVURJKSA-N 411.849 3.424 0 40 HGAB O=C(NC1CCCCC1)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(F)cc1 804375 OWRYMDCMSFUHCW-OAQYLSRUSA-N 416.518 3.390 0 40 HGAB COc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccc(OC)c(OC)c1 814794 BDJSVQDSZSJSTJ-FQEVSTJZSA-N 421.457 3.232 0 40 HGAB Cc1cccc(NC(=O)[C@@H](C)OC(=O)CCCN2C(=O)c3ccccc3C2=O)c1C 1984664 OBKPZEBQUXKDFH-MRXNPFEDSA-N 408.454 3.250 0 40 HGAB CCOC(=O)c1c(NC(=O)CCC(=O)N(CC)CC)sc2c1CC(C)(C)OC2 2279173 CQDIZCIAYTZTJG-UHFFFAOYSA-N 410.536 3.363 0 40 HGAB Nc1c(S(=O)(=O)c2ccc(Cl)cc2)c2nc3ccccc3nc2n1CCCO 2331058 RVELOJPUYDFESJ-UHFFFAOYSA-N 416.890 3.035 0 40 HGAB COc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCN(C)C)c1OC 2419916 HSTJUTBDQNQWLE-FQEVSTJZSA-N 422.481 3.307 0 40 HGAB COC[C@@H](C)n1c(SCC(=O)NCC2CCCCC2)nc2ccccc2c1=O 3403369 YSJRIAXONNZFQS-OAHLLOKOSA-N 403.548 3.393 0 40 HGAB Nc1cc(S(=O)(=O)Nc2ccc(I)cc2)ccc1Cl 3886111 POOLQRHUSZNDDK-UHFFFAOYSA-N 408.648 3.328 0 40 HGAB CC(=O)NCC(=O)N(Cc1cccs1)C1(C(=O)NC2CCCCC2)CCCCC1 4128283 ZERBJIIDJURRTQ-UHFFFAOYSA-N 419.591 3.365 0 40 HGAB CC(=O)c1ccc(NC(=O)COc2coc(CN3CCc4ccccc43)cc2=O)cc1 4304409 IIWDQYLOOKZXHM-UHFFFAOYSA-N 418.449 3.423 0 40 HGAB Cc1ccc(Cl)cc1NC(=O)COC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2 4328063 WFDPQRSKBQMABU-UHFFFAOYSA-N 418.921 3.463 0 40 HGAB O=C(COc1ccccc1)NC[C@H](c1ccco1)S(=O)(=O)c1ccc(F)cc1 4519199 MYDOYFWCCQBGTQ-LJQANCHMSA-N 403.431 3.129 0 40 HGAB O=C(NCCc1ccc(Cl)cc1)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 4904405 RGBXDJGFGNANAU-HNNXBMFYSA-N 412.964 3.161 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2C(=O)c1ccncc1 4942517 ZGTKKPQSEHKBSL-UHFFFAOYSA-N 409.467 3.066 0 40 HGAB CCOc1ccc2cc([C@H]3CC(c4cccs4)=NN3S(C)(=O)=O)c(=O)[nH]c2c1 5112145 FCEJBQWLXJMEFN-QGZVFWFLSA-N 417.512 3.099 0 40 HGAB O=S(=O)(c1ccc(OCc2coc(-c3cccs3)n2)cc1)N1CCOCC1 5295045 SQUHBTSMISRDLP-UHFFFAOYSA-N 406.485 3.003 0 40 HGAB CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)c1cnc(Cl)c(Cl)c1 6652475 CZZYUTLJCGJSSO-UHFFFAOYSA-N 410.257 3.260 0 40 HGAB C[C@H]1CCCN(S(=O)(=O)c2csc(C(=O)Oc3ccc4c(c3)OCO4)c2)C1 6680965 LMNDSDFCIRWVJT-LBPRGKRZSA-N 409.485 3.117 0 40 HGAB Cc1ccn(Cc2nnc(SCC(=O)Nc3ccc(OC(F)F)cc3C)o2)n1 6789928 DTVOYHDQFRMIGL-UHFFFAOYSA-N 409.418 3.263 0 40 HGAB C[C@H](OC(=O)CNC(=O)c1ccccc1F)C(=O)Nc1ccc(Cl)cc1Cl 6886932 NZXJMUZRRQNRER-JTQLQIEISA-N 413.232 3.433 0 40 HGAB O=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)Nc1nc2ccccc2s1 7767881 WHTWDBIEKDZUHG-UHFFFAOYSA-N 407.542 3.324 0 40 HGAB Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)cc1 7805739 SCEYZGIQLSHYMX-UHFFFAOYSA-N 412.433 3.161 0 40 HGAB CCn1c(CNC(=O)c2ccc3c(c2)OCO3)nnc1SCc1ccc(F)cc1 7871095 DSBILKKRHKFLQT-UHFFFAOYSA-N 414.462 3.388 0 40 HGAB Cc1cccc(C)c1NC(=O)COC(=O)[C@@H](CC(C)C)N1C(=O)c2ccccc2C1=O 8283635 XINVFTFWWFOIMK-LJQANCHMSA-N 422.481 3.496 0 40 HGAB O=C(N[C@H]1CCN2C(=O)c3cc(-c4cccs4)ccc3NC(=O)[C@H]12)c1cccs1 8296723 PQUQECNOXSFYHJ-YJBOKZPZSA-N 423.519 3.442 0 40 HGAB biogenic,in-vitro O=C1N(c2ccc(F)cc2)[C@@H]2CS(=O)(=O)C[C@H]2N1c1cccc(C(F)(F)F)c1 8828010 AUFYOQOOBHQNKR-HZPDHXFCSA-N 414.380 3.457 0 40 HGAB CCOc1cc(S(=O)(=O)Nc2ccccc2C(=O)O)ccc1Br 8845849 OCZLOXFTBCNLLE-UHFFFAOYSA-N 400.250 3.347 0 40 HGAB COc1cccc(-c2nc(COC(=O)CCn3c(C)csc3=O)cs2)c1OC 8966352 FNYURURDIRICAL-UHFFFAOYSA-N 420.512 3.492 0 40 HGAB Cc1cc(C)c(NC(=O)CNC(=O)CSc2nnc(NC(C)C)s2)c(C)c1 9252530 RDZVGJCFYBUBHN-UHFFFAOYSA-N 407.565 3.131 0 40 HGAB O=C1S/C(=C\c2ccc(F)cc2)C(=O)N1CCC(=O)N1CCCC[C@@H]1CCO 9348732 QJBDEZQACHHZLS-UDLNKVAWSA-N 406.479 3.016 0 40 HGAB Cc1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1OCC(=O)NCc1ccco1 9426723 HNWNMRRWBNDDAE-UHFFFAOYSA-N 418.446 3.223 0 40 HGAB CCc1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccc(Br)s1 9559523 IWWAQTRHPDXMKZ-UHFFFAOYSA-N 417.350 3.332 0 40 HGAB COC(=O)C1=C(C(=O)c2cccs2)[C@H](c2ccc(C(C)(C)C)cc2)n2nnnc2N1 10232422 XEBICBKBMDAJHA-KRWDZBQOSA-N 423.498 3.357 0 40 HGAB CCCCN1C(=O)c2ccc(C(=O)NCc3ccccc3Cn3cccn3)cc2C1=O 10234711 ONBLUNNWNFUKNF-UHFFFAOYSA-N 416.481 3.258 0 40 HGAB Cc1ccc(Cl)cc1N([C@H](C)C(=O)N1CCc2ccccc2C1)S(C)(=O)=O 10544354 SKSUSBYUJHMRRW-OAHLLOKOSA-N 406.935 3.388 0 40 HGAB Cc1ccc(Cn2nnc3c(SCC(=O)NCc4ccc(F)cc4)ncnc32)cc1 11758458 OYXFVWZAZMRVSU-UHFFFAOYSA-N 422.489 3.126 0 40 HGAB Cc1ccccc1COc1cn(CC(=O)Nc2ccc3c(c2)OCO3)c(C)cc1=O 12230724 FCGVEMFMBMFLJF-UHFFFAOYSA-N 406.438 3.412 0 40 HGAB CN(C)CCN(C(=O)Cc1csc(Nc2ccccc2F)n1)C1CCN(C)CC1 12238274 GQKGGZLQIRLQHJ-UHFFFAOYSA-N 419.570 3.053 0 40 HGAB O=C(Nc1nc2c(s1)CCC2)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 12587154 ADNHESACBZNACF-UHFFFAOYSA-N 411.936 3.322 0 40 HGAB COc1ccc(-c2n[nH]c(=S)n2CC(=O)N2CCN(c3cccc(C)c3)CC2)cc1 12616455 UHUNDDMUWSCTEW-UHFFFAOYSA-N 423.542 3.274 0 40 HGAB COc1cc(NCC(=O)Nc2ccc3c(c2)CCN3C(C)=O)c(OC)cc1Cl 12763381 RSJCGEHTCNEWFU-UHFFFAOYSA-N 403.866 3.317 0 40 HGAB COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NCc2ccccc2N)cc1 13576621 HRPPYIJEEXOMGY-JCMHNJIXSA-N 401.466 3.365 0 40 HGAB CCOc1ccc(N([C@H](C)C(=O)N2c3ccccc3C[C@@H]2C)S(C)(=O)=O)cc1 13671210 DMOOHHQTAWCVQX-JKSUJKDBSA-N 402.516 3.218 0 40 HGAB CCS(=O)(=O)N1C[C@H](C(=O)Nc2ccc(C(F)(F)F)cc2)Oc2ccccc21 13680033 VJWZOJCSQAUUOH-MRXNPFEDSA-N 414.405 3.261 0 40 HGAB c1ccc(Cn2c(SC[C@@H]3COc4ccccc4O3)nnc2N2CCOCC2)cc1 14239991 UHTWCYASCKPEOL-SFHVURJKSA-N 424.526 3.095 0 40 HGAB O=S(=O)(NCCc1csc2nc(-c3cccs3)nn12)c1cccc(F)c1 15783851 SMXULJMBBDMFRI-UHFFFAOYSA-N 408.505 3.179 0 40 HGAB FC(F)(F)c1nc(-c2cnccn2)ncc1-c1nnnn1-c1ccc(Cl)cc1 16429837 KZCVXTKDSJBNKJ-UHFFFAOYSA-N 404.743 3.249 0 40 HGAB CCOc1ccc(-c2noc(Cn3nc(-c4ccc5c(c4)OCO5)ccc3=O)n2)cc1 16845891 FQBDEISPUAAKNJ-UHFFFAOYSA-N 418.409 3.136 0 40 HGAB CCc1ccccc1NC(=O)CNC(=O)c1nn(-c2ccc(Cl)cc2)c(C)cc1=O 17365969 XKNUOXSCKUROGY-UHFFFAOYSA-N 424.888 3.125 0 40 HGAB Cc1cccc([C@H](Cc2cc(N(C)C)nc(C3CC3)n2)NC(=O)c2cnccn2)c1 19234467 LJWSMQQJHPPKPZ-IBGZPJMESA-N 402.502 3.232 0 40 HGAB O=C(COc1cccc(F)c1)N1CCC(c2nc(-c3ccsc3)cc(=O)[nH]2)CC1 19294227 AWTXWQODJNQYTL-UHFFFAOYSA-N 413.474 3.423 0 40 HGAB CCC[C@H](C(=O)Nc1ccc(CN2C(=O)NC(C)(C)C2=O)cc1)n1nc(C)cc1C 19501829 OUBPDXPAOMXEEQ-GOSISDBHSA-N 411.506 3.310 0 40 HGAB O=C(Nc1cnn(Cc2ccccc2F)c1)[C@@H]1CC(=O)N(Cc2cccc(F)c2)C1 19718369 SUMRELHLFGRSML-QGZVFWFLSA-N 410.424 3.197 0 40 HGAB Cc1cc(C)c2c(=O)c(CN3CCN(Cc4ccc5c(c4)OCO5)CC3)c(C)[nH]c2c1 19793545 RREGMPQZKRUJGE-UHFFFAOYSA-N 419.525 3.500 0 40 HGAB O=C(NCCc1ccccc1)[C@@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 20046680 DYUNGMQWUUHPBY-JOCHJYFZSA-N 414.571 3.020 0 40 HGAB Cc1cc(C(=O)COC(=O)c2cccc(N3CCCS3(=O)=O)c2)c(C)c(C)c1C 21833428 KAJZFHXVFPPOTJ-UHFFFAOYSA-N 415.511 3.500 0 40 HGAB O=C(NCc1ccc(CN2CCOCC2)cc1)c1c[nH]c(=S)n1-c1ccccc1 21936206 AXUQYEJTOOJQSL-UHFFFAOYSA-N 408.527 3.297 0 40 HGAB COc1ccc(-c2c(C)nn3c2nnc2c(=O)n(-c4ccc(OC)cc4)ccc23)cc1 22610738 PUKJSHSQNJHHLO-UHFFFAOYSA-N 413.437 3.421 0 40 HGAB O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 22885173 ULMXSQMJUPRFIU-QDJPGJPLSA-N 408.502 3.002 0 40 HGAB CC(C)NS(=O)(=O)c1ccc(C(=O)N[C@@H](c2nc3ccccc3[nH]2)C(C)C)cc1 23080038 GPOYARZLVIBTJW-LJQANCHMSA-N 414.531 3.377 0 40 HGAB Cc1nc(C2(NC(=O)[C@H]3CCCN(C(=O)c4ccc(F)cc4)C3)CCCCC2)no1 23508541 JEGGESNVFPHBMR-KRWDZBQOSA-N 414.481 3.345 0 40 HGAB CC(C)(C)c1ccccc1NC(=O)COC(=O)c1ccccc1NS(C)(=O)=O 23636735 SNIPHZFJEZZNFS-UHFFFAOYSA-N 404.488 3.151 0 40 HGAB Cc1ccc(C)c(OC[C@@H](O)Cn2nnc(-c3ccccc3Br)n2)c1 24762971 IHZWTEWKVDFAKU-AWEZNQCLSA-N 403.280 3.159 0 40 HGAB Cc1ccc(S(=O)(=O)N2C(=O)CC[C@@H]2C(=O)Nc2ccc(C)c(Cl)c2)cc1 28209517 BDPOQUKYWJDPHY-QGZVFWFLSA-N 406.891 3.275 0 40 HGAB COc1ccc(-n2cnc3cc(C(=O)NCc4ccccc4OC)ccc3c2=O)cc1 32094139 QIUGOLUHHRAWNN-UHFFFAOYSA-N 415.449 3.333 0 40 HGAB O=c1ccc2cc(S(=O)(=O)N(Cc3cccs3)C[C@H]3CCCO3)ccc2o1 32759170 WWWSHQALPWLBOT-OAHLLOKOSA-N 405.497 3.224 0 40 HGAB Cc1nc(C(=O)N2CCC[C@H](c3nnc4n3CCCCC4)C2)nn1-c1ccc(F)cc1 32760608 JUTHVPPFXDVCCI-INIZCTEOSA-N 423.496 3.053 0 40 HGAB Cc1ccc(C(C)C)c(OS(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)c1 32770544 YKPUPNYCLWPOJA-UHFFFAOYSA-N 409.529 3.327 0 40 HGAB COc1ccc2cc([C@@H](C)C(=O)N3CCN(CC(=O)N4CCCCC4)CC3)ccc2c1 32823545 RETPHWRMRXEGEJ-LJQANCHMSA-N 423.557 3.109 0 40 HGAB Cc1ccc(CN2CCCN(C(=O)[C@@H]3CCCN(C(=O)c4ccoc4)C3)CC2)cc1 32827639 HNFMOQDXRCQFCX-OAQYLSRUSA-N 409.530 3.175 0 40 HGAB COc1ccc(-c2nc(CC(=O)N3CC(=O)Nc4ccccc43)cs2)cc1OC 32850695 UYCVBGSTWFOZLW-UHFFFAOYSA-N 409.467 3.355 0 40 HGAB O=c1c2cc(Cl)ccc2ncn1C[C@@H](O)COCCOc1ccc(Cl)cc1 32854269 FHJJNCHEHYSPTO-OAHLLOKOSA-N 409.269 3.160 0 40 HGAB CS(=O)(=O)N1CCCc2cc(C(=O)Nc3ccc(N4CCCCC4)nc3)ccc21 32883891 WPFVVKMIDQJRNF-UHFFFAOYSA-N 414.531 3.036 0 40 HGAB O=C(CSCc1cc(=O)n2ccsc2n1)N1CCC(c2ccc(O)cc2)CC1 32909719 CTSVFWCOBCCAQN-UHFFFAOYSA-N 415.540 3.101 0 40 HGAB C[C@H]1CN(Cc2ccc(C(=O)OCC(=O)Nc3ccc(Cl)cn3)cc2)C[C@H](C)O1 32936236 CEBSLPIUNPNDQP-GJZGRUSLSA-N 417.893 3.140 0 40 HGAB Cc1nn(-c2ccc(=O)[nH]n2)c2c1[C@@H](c1ccc(-c3ccc(F)cc3)o1)CC(=O)N2 36358240 KMGVCIADADEPCC-CQSZACIVSA-N 405.389 3.137 0 40 HGAB COc1c(C(=O)NC(C)C)cn(C)c1-c1nc2cc(NC(=O)C(C)C)ccc2n1C 36369993 ZPBIAEAUTOIXCH-UHFFFAOYSA-N 411.506 3.320 0 40 HGAB biogenic COc1ccc([C@@H](CC(=O)NC2CCN(Cc3ccccc3C)CC2)NC(C)=O)cc1 36392205 URNRWIOFXOELHI-XMMPIXPASA-N 423.557 3.352 0 40 HGAB Cc1cc(C(=O)N2CCN(Cc3ccco3)CC2)c2cnn(-c3ccccc3F)c2n1 36616582 BSBGKQKOEPFYRD-UHFFFAOYSA-N 419.460 3.419 0 40 HGAB CN(CCOc1ccccc1Cl)C(=O)Nc1ccccc1C(=O)N1CCOCC1 40104701 XWVHRXJYXLJRBK-UHFFFAOYSA-N 417.893 3.355 0 40 HGAB Cc1sc(=O)n(CC(=O)Nc2ccc(C(=O)N(C)C)cc2)c1-c1ccc(F)cc1 40130068 MDRADUSJJALAEC-UHFFFAOYSA-N 413.474 3.365 0 40 HGAB CCc1ccccc1NC(=O)[C@@H]1CC(=O)Nc2nc(Nc3ccc(F)cc3)[nH]c(=O)c21 40399635 BVDWJMOQOADJSK-OAHLLOKOSA-N 421.432 3.280 0 40 HGAB CCCSc1ncc(Cl)c(C(=O)NCCC(=O)Nc2ccc(OC)cc2)n1 41155434 MZASWAXMYHDERK-UHFFFAOYSA-N 408.911 3.399 0 40 HGAB O=S(=O)(c1cccs1)N1CCC[C@@H](c2nnc(-c3ccc4c(c3)OCO4)o2)C1 42380058 XJBXLGJAEGJHLK-CYBMUJFWSA-N 419.484 3.095 0 40 HGAB COc1ccc(-c2ccc(=O)n(CC(=O)N[C@@H](C)CCc3ccccc3)n2)cc1OC 44893790 ICROZPSKEDSZLW-KRWDZBQOSA-N 421.497 3.065 0 40 HGAB C[C@@H](CNC(=O)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1)CN1CCCC1 47916775 NZFRKUIPLIKEAM-INIZCTEOSA-N 419.522 3.088 0 40 HGAB COc1cccc([C@H](CNC(=O)Cc2cc(Cl)c3c(c2)OCCCO3)N(C)C)c1 48325243 QYLHHCHSKTVUFS-IBGZPJMESA-N 418.921 3.472 0 40 HGAB COc1ccc(C)c2cc(CCNS(=O)(=O)c3ccc(Cl)s3)c(=O)[nH]c12 49597364 QJPZIYYXWYLBLG-UHFFFAOYSA-N 412.920 3.081 0 40 HGAB C[C@H](NC(=O)N1CCN(c2ccc(F)cc2)CC1)C(=O)Nc1ccc2cc[nH]c2c1 61720628 AXHRLWQLQBBWHN-HNNXBMFYSA-N 409.465 3.166 0 40 HGAB COc1ccc(-c2ccc(=O)n(CC(=O)Nc3cccc4c3ccn4C)n2)cc1OC 71287593 MCBYCJYCUMLZMZ-UHFFFAOYSA-N 418.453 3.058 0 40 HGAB Cc1nc(N)c2c(C(F)(F)F)cc([C@@H]3CCCN(C(=O)c4ccccn4)C3)nc2n1 72346266 BSLWILJQHKSBKC-GFCCVEGCSA-N 416.407 3.349 0 40 HGAB NC(=O)c1cccc(-c2cnc(N)nc2[C@H]2CCCN2CCOc2ccc(F)cc2)c1 72354863 BVEGNPDYVWTMHG-HXUWFJFHSA-N 421.476 3.180 0 40 HGAB CC[C@@](C)(NC(=O)c1sc2nc(Cc3ccccc3)nc(N)c2c1C)C(=O)OC 78822542 PKJUNAMAQNWDFK-OAQYLSRUSA-N 412.515 3.244 0 40 HGAB C[C@H]1C[C@H]1C(=O)N1CCN(C(=O)CCSc2ccc(Br)cc2)CC1 89920403 SSGZNEQBPSKHMI-XJKSGUPXSA-N 411.365 3.258 0 40 HGAB Cc1cc(NC(=O)[C@@H]2Oc3c(c(=O)oc4ccccc34)[C@H]2c2cccc(O)c2)no1 96115671 ZUZAQNUBYULKHZ-YLJYHZDGSA-N 404.378 3.327 0 40 HGAB biogenic COC(=O)Nc1ccc(S(=O)(=O)NC[C@@](C)(OC)c2cccc(Cl)c2)cc1 96393000 FPAZSOSERXXBSQ-GOSISDBHSA-N 412.895 3.358 0 40 HGAB COc1nn(Cc2cc(O)n3nc(C)c(-c4ccccc4)c3n2)c(=O)c2ccccc12 100223805 WCIBNWXILZYVKY-UHFFFAOYSA-N 413.437 3.177 0 40 HGAB Cc1cc(O)nc(Sc2ccc(/C=c3/sc4nc5ccccc5n4c3=O)o2)n1 106945149 NBDJGJJEUWMUPD-NTEUORMPSA-N 408.464 3.005 0 40 HGAB CC[C@@H](C(=O)NCCCc1ccc(F)cc1)N(c1ccc(F)cc1)S(C)(=O)=O 219110985 JVQQBYFZUYNXNB-IBGZPJMESA-N 410.486 3.258 0 40 HGAB CCOc1ccc(N([C@@H](CC)C(=O)NCc2cccc(C)c2)S(C)(=O)=O)cc1 220677752 JRLLISCATFUQMW-FQEVSTJZSA-N 404.532 3.255 0 40 HGAB COC(=O)c1cc(NC(=O)c2ccc(N(C)S(C)(=O)=O)c(C)c2)ccc1Cl 222476411 UAHCSAACYRMRNI-UHFFFAOYSA-N 410.879 3.083 0 40 HGAB CC[C@@H](C(=O)NCCOc1cc(C)ccc1C)N(c1ccccc1)S(C)(=O)=O 224017930 FPIPRKAMQZKBDS-IBGZPJMESA-N 404.532 3.043 0 40 HGAB CS(=O)(=O)N(CC(=O)NCc1ccc(Cl)cc1Cl)Cc1ccccc1F 225884093 XXLPPVKQNBMHJR-UHFFFAOYSA-N 419.305 3.211 0 40 HGAB Cc1ccc(S(=O)(=O)N(CC(=O)NCC(C)(C)C)Cc2ccccc2F)cc1 226065426 NYAZORFCSCJGEZ-UHFFFAOYSA-N 406.523 3.487 0 40 HGAB CC(C)n1cc(NC(=O)COc2nn(-c3ccccc3)cc2Br)cn1 227151657 KCBZWXKDSZLGGA-UHFFFAOYSA-N 404.268 3.430 0 40 HGAB Cc1cc(Cc2ccccc2)cc([C@@H]2CN(Cc3cnc(N(C)C)nc3)CCO2)n1 257227433 FPGOMTPGRKXJEW-QHCPKHFHSA-N 403.530 3.410 0 40 HGAB COc1cccc2cc(C(=O)N3CCCC[C@H]3c3n[nH]cc3C(=O)N(C)C)c(C)nc12 257319800 VUBJIRPYPMHKFI-SFHVURJKSA-N 421.501 3.344 0 40 HGAB COc1ccc(Cl)cc1N([C@H](C)C(=O)NC[C@H](C)c1ccccc1)S(C)(=O)=O 260854532 ZKPRAFOGUZYUAV-LSDHHAIUSA-N 424.950 3.423 0 40 HGAB Cc1ccccc1N1C[C@@H](C(=O)Oc2ccc(N3C(=O)CCCC3=O)c(C)c2)CC1=O 408667051 PYHJQJOQLONUJR-KRWDZBQOSA-N 420.465 3.305 0 40 HGAB COc1ccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccccc3)[C@@H]2c2ccc(C)cc2)cc1 409066945 IBAUOPOGWKTMBV-LIFFMEMSSA-O 414.485 3.020 0 40 HGAB O=C(NC[C@H]1OCCc2cn(Cc3ccccc3)nc21)c1ccc(C(F)(F)F)cn1 585112377 OZCIMCWKXNMMQH-GOSISDBHSA-N 416.403 3.389 0 40 HGAB Cn1cc(/C=C/C(=O)N2CCC[C@H](Cc3ccnc(Nc4ccccn4)c3)C2)cn1 585291898 VESDECVPNNUCNK-IHHMQQGQSA-N 402.502 3.448 0 40 HGAB O=C(CCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]12)Nc1nncs1 604405146 LBSMVXNFSQRZON-GOSISDBHSA-N 419.466 3.072 0 40 HGAB biogenic COc1ccc(CN2CC3(CCN(C(=O)c4cc(C5CC5)on4)CC3)CC2=O)cc1 1565553884 MDXCEDZGEMOTQA-UHFFFAOYSA-N 409.486 3.216 0 40 HGAB CC(C)c1noc(CN(C)C2CN(c3ncnc(-c4ccc(F)cc4)c3F)C2)n1 1775974955 YIUXHRNDWYJASM-UHFFFAOYSA-N 400.433 3.249 0 40 HGAB Cc1noc(C)c1CC(=O)N1C[C@@H]2CN(c3nc4ccccc4n3C(C)C)C[C@@H]2C1 1888900943 FZJIJCPTHYLLIJ-HDICACEKSA-N 407.518 3.359 0 40 HGAB O=C1COC[C@@]2(CN(Cc3cccc(C(F)(F)F)c3)CCO2)CN1c1ccccc1 2037983621 AONMZPKMBBTHIB-OAQYLSRUSA-N 420.431 3.340 0 40 HGAB COc1ccc(CN2CC3(CCC2=O)CCN(C(=O)C2CC(F)(F)C2)CC3)cc1 2055796176 LBGFKQGEKKMMGL-UHFFFAOYSA-N 406.473 3.472 0 40 HGAB O=C1Cc2cc(C(=O)CSc3nnnn3-c3ccc(Cl)cc3)c(Cl)cc2N1 32096154 FLURSVZJPVALHY-UHFFFAOYSA-N 420.281 3.439 0 40 HGAB COC(=O)c1sc(N)c(C(=O)OC)c1COC(=O)c1cc(F)c(F)cc1Cl 11400926 SOIJDPXRCIBLOE-UHFFFAOYSA-N 419.789 3.192 0 40 HGAB O=C(CCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)N1CC[C@H]2CCCC[C@@H]2C1 8216239 LOVFYBVYTUVVBV-IAGOWNOFSA-N 405.502 3.080 0 40 HGAB COCC(=O)N1CCC(Oc2ccc(C(=O)N[C@@H](C)Cc3ccsc3)cc2)CC1 11709299 UUUWGEQMSWRJFK-INIZCTEOSA-N 416.543 3.125 0 40 HGAB O=C(Nc1ccc2c(c1)OCO2)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 32794954 GDUPCFWPNIRSOQ-LLVKDONJSA-N 403.232 3.169 0 40 HGAB CNC(=O)NC(=O)[C@@H](Nc1cccc(-c2nnc3n2CCCCC3)c1)c1ccccc1 7243820 QKQGGXMUCMDURB-FQEVSTJZSA-N 418.501 3.280 0 40 HGAB COc1cccc(N2C[C@@H](C(=O)OCC(=O)Nc3cccc(Cl)c3C)CC2=O)c1 7940147 GGRBGROWDBRKRS-AWEZNQCLSA-N 416.861 3.192 0 40 HGAB COc1ccc(CNC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)cc1 7969499 PKNJPPXSYCBXKT-UHFFFAOYSA-N 402.516 3.108 0 40 HGAB CCOC(=O)c1ccc(OC[C@@H](O)CSc2nncn2-c2ccccc2F)cc1 32854167 JMBJCZQIXOXFIN-OAHLLOKOSA-N 417.462 3.115 0 40 HGAB CCOC(=O)c1cccc(NC(=O)[C@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)c1 10441534 CLRYDGOWLIWHLJ-ZDUSSCGKSA-N 424.906 3.310 0 40 HGAB Cc1cnc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)s1 10623843 HIBMZBRJAXZSGR-UHFFFAOYSA-N 419.572 3.370 0 40 HGAB C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 33039546 ARWARIRIZMKRDT-AVRDEDQJSA-N 407.514 3.004 0 40 HGAB O[C@H](COc1ccc(Cl)cc1)CSc1nnc(NC[C@@H]2CCCO2)s1 22093571 HNAAGCYTYYWKBM-OCCSQVGLSA-N 401.941 3.314 0 40 HGAB CN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)N(Cc2ccc(Cl)cc2)C1=S 2729441 ILVMLBWJPQUTOK-INIZCTEOSA-N 405.882 3.435 0 40 HGAB COCc1nn2c(O)cc(CCc3c(C)n[nH]c3C)nc2c1-c1ccc(OC)cc1 100775989 DLXOAEFXPKGGBF-UHFFFAOYSA-N 407.474 3.382 0 40 HGAB COC(=O)c1cc(S(=O)(=O)Nc2ccc(F)cc2F)ccc1Br 57412503 LBMYRNLBNJIUOL-UHFFFAOYSA-N 406.204 3.315 0 40 HGAB C[C@H](C1CC1)N(CC(F)(F)F)C(=O)CSc1nnc(-c2ccc(F)cc2)n1N 23601167 KLZQUQHHDLVXDJ-SNVBAGLBSA-N 417.432 3.080 0 40 HGAB CCc1cc2c(=O)n(NC(=O)Cc3cc(Cl)c4c(c3)OCCCO4)cnc2s1 24582635 JCQCWRHLEZFXEZ-UHFFFAOYSA-N 419.890 3.148 0 40 HGAB Cc1ccc(S(=O)(=O)NCCNC(=O)Nc2ccc(Cl)cc2Cl)cc1 43175236 AIJDNHWEAOPJGK-UHFFFAOYSA-N 402.303 3.402 0 40 HGAB CCc1ccccc1N(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@H]2C1=O)C(=O)C(F)(F)F 100395353 MRYOEHRLOWYCCK-ZJMHZOEWSA-N 418.415 3.155 0 40 HGAB Cc1c(C(=O)N2CCN(c3nnnn3-c3ccccc3)CC2)sc2cccc(F)c12 24777214 HOOCSUKKKHATGV-UHFFFAOYSA-N 422.489 3.287 0 40 HGAB O=S(=O)(Nc1ccc(N2CCCS2(=O)=O)cc1)c1cc(Cl)cc(Cl)c1 12561111 BWQQIPDSXUDGOX-UHFFFAOYSA-N 421.327 3.334 0 40 HGAB CS(=O)(=O)Nc1nc2n(n1)[C@H](c1ccccc1Cl)C=C(c1ccccc1)N2 101072152 QTJBTIZWOXAIGN-INIZCTEOSA-N 401.879 3.359 0 40 HGAB CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C(=O)N2CCN(c3ccccn3)CC2)CC1 101501282 DVOWLDXQGRUOSQ-HDICACEKSA-N 402.539 3.061 0 40 HGAB CCn1c(SCc2ccc(OC)cc2)nnc(Nc2ccc3c(c2)OCO3)c1=O 28536682 QXLYQHWDXKYZIU-UHFFFAOYSA-N 412.471 3.431 0 40 HGAB Cc1nc(CSCC(=O)NCCCN2CCN(c3ccccc3)CC2)cs1 36395372 AVMGGSIWONBAKK-UHFFFAOYSA-N 404.605 3.013 0 40 HGAB O=C(NC1CCCC1)[C@@H]1CCCCN1S(=O)(=O)c1ccc(Br)cc1 12760097 ZURJUZXMSBHQRF-INIZCTEOSA-N 415.353 3.051 0 40 HGAB O=C(Nc1nnc(-c2ccccn2)s1)C1CCN(C(=O)CCc2ccccc2)CC1 48235609 BGQSKRCORXXKPN-UHFFFAOYSA-N 421.526 3.410 0 40 HGAB CS(=O)(=O)c1cc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)ccc1Cl 12812563 UGWNJQPMGSGXJD-INIZCTEOSA-N 421.902 3.492 0 40 HGAB Cc1c(Cl)cccc1NC(=O)CNC(=O)CCNC(=O)c1ccc(Cl)cc1 12915811 PYJPCPWVFYKQAJ-UHFFFAOYSA-N 408.285 3.177 0 40 HGAB O=C(NCC1CC1)[C@@H]1CCCN(c2nc3c(-c4ccccc4)csc3c(=O)[nH]2)C1 49421207 GMCIKKVSXJMLHA-MRXNPFEDSA-N 408.527 3.394 0 40 HGAB O=C(CCCNC(=O)N1CC(=O)Nc2ccccc21)Nc1ccc(F)c(Cl)c1 13628759 HZCJYBATQNQJTJ-UHFFFAOYSA-N 404.829 3.366 0 40 HGAB COC[C@@H](C)NC(=O)c1cnn2c1N[C@H](c1cccc(OC)c1)C[C@@H]2C(F)(F)F 4223196 BDYRVECIQXJCEC-XFBWCDHKSA-N 412.412 3.317 0 40 HGAB CC(C)[C@H](CNC(=O)c1ccoc1CN1c2ccccc2C[C@H]1C)N1CCOCC1 89941477 MMXKIBYJWWPKCD-GCJKJVERSA-N 411.546 3.317 0 40 HGAB CC1=C(C(N)=O)[C@H](c2ccc(OCc3c(F)cccc3Cl)cc2)N2NC=NC2=N1 4368707 UGHSYUCIWBBKES-SFHVURJKSA-N 413.840 3.077 0 40 HGAB COc1cc(NC(=O)CSc2nc3cc(Cl)cnc3[nH]2)cc(OC)c1OC 5266880 JKPLGXZBOIROOU-UHFFFAOYSA-N 408.867 3.368 0 40 HGAB CCCCC[C@H](C)NC(=O)CSc1nnc(COc2c(C)cccc2C)n1N 21629261 JIBIZILHAUOGEW-INIZCTEOSA-N 405.568 3.365 0 40 HGAB COc1ccc(NC(C)=O)cc1NC(=O)CSc1nnc(-c2ccccc2)n1C 5478582 JWAGHCRODFSQNB-UHFFFAOYSA-N 411.487 3.180 0 40 HGAB O=C1C[C@@H](NCCc2c[nH]c3ccccc23)C(=O)N1c1ccc(Br)cc1 18223082 DYUKMAHIKYBHGF-GOSISDBHSA-N 412.287 3.395 0 40 HGAB COc1ccc(C(=O)[C@@H](C)OC(=O)CCn2c(=O)oc3cc(Cl)ccc32)cc1 19161384 HSGVISKGPDRYHH-GFCCVEGCSA-N 403.818 3.461 0 40 HGAB COc1ccc(C(=O)Cn2nc3ccc(-c4ccc(Cl)cc4)nn3c2=O)cc1OC 67206989 ZUAGBRAREBGVNF-UHFFFAOYSA-N 424.844 3.112 0 40 HGAB CN1C(=O)Cc2cc(C(=O)CSc3nnc(-c4cccnc4)n3C3CC3)ccc21 7876715 PFALJEOFMMZEKO-UHFFFAOYSA-N 405.483 3.169 0 40 HGAB O=C([C@H]1CN(C(=O)Cc2noc3ccccc23)c2ccccc2O1)N1CCCCC1 7825591 BVCQWDMBYVOWHT-OAQYLSRUSA-N 405.454 3.177 0 40 HGAB Cc1ccc2c(c1)C[C@]1(CN2C)C(=O)NC(=O)N(c2cccc(C(F)(F)F)c2)C1=O 9350942 CFAXCZDWLWVYAF-FQEVSTJZSA-N 417.387 3.276 0 40 HGAB COc1ccccc1OCC(=O)NCc1nc(-c2cccc(Br)c2)no1 95482213 VGXPSOIQMCKSJI-UHFFFAOYSA-N 418.247 3.203 0 40 HGAB COCCOc1cccc(C(=O)N[C@@H](C)[C@H](O)c2ccc(Br)cc2)c1 89598493 MSLQUCMTPWAJFO-UGSOOPFHSA-N 408.292 3.326 0 40 HGAB CC(C)CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 408595693 RBYKZCYGZCJQBT-KRWDZBQOSA-N 416.543 3.368 0 40 HGAB Cc1cc(C)cc(N(CC(=O)NCCCc2ccc(Cl)cc2)S(C)(=O)=O)c1 22329111 IDGLJFXGLURNKN-UHFFFAOYSA-N 408.951 3.472 0 40 HGAB Cc1nc(CN2CC[C@@]3(CN(CC4CC4)C[C@H]3c3cn(C(C)C)cn3)C2=O)cs1 306124838 CARBMIHRZCCRHW-UGKGYDQZSA-N 413.591 3.457 0 40 HGAB CCOC(=O)Nc1cc(S(=O)(=O)Nc2ccc(OC)cc2OC)ccc1OC 408587186 SAMDATYTMDIVNH-UHFFFAOYSA-N 410.448 3.082 0 40 HGAB CCC(=O)Oc1ccccc1/C=C1\N=C(c2ccc(OC(C)=O)c(OC)c2)OC1=O 409195449 UQTCWHOIZNSSTI-WJDWOHSUSA-N 409.394 3.280 0 40 HGAB CC[C@H]1Oc2ccc([C@@H](O)c3ccco3)cc2N(CC(=O)N2CCC(C)CC2)C1=O 72343101 HGQWXJBEKCQPOV-XMSQKQJNSA-N 412.486 3.124 0 40 HGAB O=C(CN1CCC[C@@H](c2cccc(Cc3ccc(Cl)cc3)n2)C1)N1CCOCC1 72348742 VAXAHPSNTNXEQP-LJQANCHMSA-N 413.949 3.364 0 40 HGAB COc1ccc(S(=O)(=O)N(C)Cc2cccc(C)c2)cc1C(=O)N1CCCC1 223870590 FNEVACCBFFUQKV-UHFFFAOYSA-N 402.516 3.060 0 40 HGAB Cc1nnc(NC(=O)[C@@H]2c3ccccc3C(=O)N(C)[C@H]2c2ccc3c(c2)OCO3)s1 40267314 WSAMXEFVIJPCMT-MSOLQXFVSA-N 422.466 3.124 0 40 HGAB COc1cccc(C(=O)NCc2cc(=O)n3nc(-c4cccc(C)c4)sc3n2)c1 41078188 XBJBRXISVBTOGN-UHFFFAOYSA-N 406.467 3.065 0 40 HGAB CCCCNS(=O)(=O)c1ccc(OCC(=O)N(C)c2ccccc2)c(Cl)c1 222843196 WLBSTUNTPVDXJV-UHFFFAOYSA-N 410.923 3.460 0 40 HGAB COCCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CCc1ccccc1 222992152 IPVJOTFVNYOLHH-LJQANCHMSA-N 412.530 3.198 0 40 HGAB CNC(=O)c1cc(S(=O)(=O)N[C@@H](c2ccccc2)c2ccccc2C)ccc1OC 44846680 AZQLEENMTBGEEB-QFIPXVFZSA-N 424.522 3.431 0 40 HGAB CC[C@@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)COc1cccc(Cl)c1 223414133 HJXBKAMLUMJCCB-IBGZPJMESA-N 404.894 3.281 0 40 HGAB CCCC(=O)[C@@H](CCc1ccccc1)N[C@@H](C)C(=O)N1[C@H](C(=O)O)C[C@@H]2CCC[C@@H]21 98087293 UJRWOTKNFKYDQM-RQUKQETFSA-N 414.546 3.189 0 40 HGAB COCCn1cnc2ccc(NC(=O)c3cc4cc(Cl)ccc4n3C)cc2c1=O 96231779 ODICDLBOJIXFNJ-UHFFFAOYSA-N 410.861 3.440 0 40 HGAB O=C(CCSc1ccccc1)NCCN1Cc2cc(Cl)ccc2OCC1=O 253473840 ZDHSVNYITMHZIG-UHFFFAOYSA-N 404.919 3.360 0 40 HGAB Cc1nc([C@@H]2CCN(C(=O)CC(C)C)C2)nc2c1CC(=O)N2CCc1ccccc1F 257320245 VVXRMHOOZKIJSH-GOSISDBHSA-N 424.520 3.418 0 40 HGAB CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](C1)[C@H](c1ccccc1)CN2C(=O)CCCC(=O)O 257325863 WUTPTWXVSOKONX-FHWLQOOXSA-N 416.518 3.493 0 40 HGAB CC1(C(=O)N[C@@H]2CCCN(c3ccccn3)C2)CCN(C(=O)c2ccccc2F)CC1 257343987 ZVGUMYYKUSBOSS-GOSISDBHSA-N 424.520 3.248 0 40 HGAB CN1CC[C@@H](COCc2cccnc2)CC12CN(C(=O)c1ccc3c(ccn3C)c1)C2 575404297 ROSILEHFFPKKDM-LJQANCHMSA-N 418.541 3.327 0 40 HGAB O=C(Cc1ccc(F)cn1)N1CCO[C@@H](c2ncn3cc(-c4ccncc4)ccc23)C1 585113121 FAVFLCBSIJTLOA-OAQYLSRUSA-N 417.444 3.073 0 40 HGAB Cc1n[nH]cc1C(=O)N1CCC(n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)CC1 12145487 KSJDKHSWIYUNSQ-GFCCVEGCSA-N 411.531 3.092 0 40 HGAB O=C(Nc1ccc(OCc2cc(=O)n3ccsc3n2)cc1)c1ccc2c(c1)OCO2 13368365 OMHAQBSQEBGZFP-UHFFFAOYSA-N 421.434 3.316 0 40 HGAB CSCC[C@H](NS(=O)(=O)c1cc(C)ccc1C)C(=O)NCc1ccc(F)cc1 16640583 DAKVUYYXCWMZJM-SFHVURJKSA-N 424.563 3.159 0 40 HGAB O=C(c1cc(-c2ccncc2)c2cnccc2n1)N1CCN(CCc2ccccn2)CC1 19401349 FKPIUCHEPNVSCS-UHFFFAOYSA-N 424.508 3.087 0 40 HGAB Cc1cccc(CCCNC(=O)C2CCN(S(=O)(=O)Cc3ccccc3)CC2)c1 19934790 ALONQSBFUILLJA-UHFFFAOYSA-N 414.571 3.286 0 40 HGAB O=C(NCc1cccnc1)c1ccc2c(c1)Cc1cccc(c1)CNCCOCCO2 643584739 QZYYFGUHPBLMQQ-UHFFFAOYSA-N 417.509 3.101 0 40 HGAB CN(C)c1nc2c(c(N(C)CCc3ccccn3)n1)CN(Cc1ccccc1)CC2 12222364 PGZVCZIABSBMOK-UHFFFAOYSA-N 402.546 3.175 0 40 HGAB O=C(CN1C(=O)N2CCCN=C2c2ccc(Cl)cc21)NCc1ccc(F)cc1 19334592 FALQPUNZLSOVCQ-UHFFFAOYSA-N 400.841 3.188 0 40 HGAB O=C(c1ccc(CS(=O)(=O)c2ccccc2)o1)N1CCN(c2ccccc2)CC1 4924551 QGRNJVWZWISFHJ-UHFFFAOYSA-N 410.495 3.216 0 40 HGAB O=C(Cn1nnc2ccccc2c1=O)Nc1cc(C2CCCC2)nn1-c1ccccc1 29424436 DUFFKFRDIMCMMX-UHFFFAOYSA-N 414.469 3.274 0 40 HGAB O=C1N[C@@H]2CCN(C(=O)CN3CCCCC3)C[C@@H]2CCCCCOc2ccccc21 2037844255 QZJVKXSDLZKSCJ-PZJWPPBQSA-N 413.562 3.072 0 40 HGAB COc1ccc(N2C[C@H](NC(=O)Cc3cccc4ccccc34)CC2=O)cc1OC 4497685 UUTQWOJEWSJWCD-GOSISDBHSA-N 404.466 3.321 0 40 HGAB CCCc1nnc(SCC(=O)Nc2ccc(C(=O)OCC)cc2)n1-n1cccc1 4518549 BBBJSUKLQITQJO-UHFFFAOYSA-N 413.503 3.251 0 40 HGAB Cc1ccc(Cl)cc1-n1c(-c2ccc(F)cc2)cn2c3c(=O)[nH]c(=O)n(C)c3nc12 10104498 JQCMEKNVJQWACS-UHFFFAOYSA-N 423.835 3.433 0 40 HGAB CCC(=O)N1CCCc2ccc(NS(=O)(=O)c3ccc(OC)c(OC)c3)cc21 17247947 TVJMSUZAXNCPRE-UHFFFAOYSA-N 404.488 3.194 0 40 HGAB CSc1ccc(CNC(=O)CSc2nccnc2N2CCSCC2)cc1 21363718 LCGNVRCGYUMWSO-UHFFFAOYSA-N 406.602 3.160 0 40 HGAB CN(C)[C@H](CNC(=O)C(=O)Nc1ccc(F)c(Cl)c1)c1cn(C)c2ccccc12 21698436 OGXVERFNZHGDLM-LJQANCHMSA-N 416.884 3.328 0 40 HGAB CCCCn1c(=O)c2sccc2n2c(CCC(=O)NCc3ccccc3)nnc12 35528732 WSWCGIUEYYFIFW-UHFFFAOYSA-N 409.515 3.155 0 40 HGAB Cc1ccnc2nc(C(=O)Nc3nc(-c4ccc(OC(F)F)cc4)cs3)nn12 40074576 GNJCOFKCSWMVLU-UHFFFAOYSA-N 402.386 3.410 0 40 HGAB Cc1nn(C)c(Cl)c1/C=C/C(=O)OCC(=O)NCCCSc1ccccc1 40034446 FVJJQDDGYYKDAI-MDZDMXLPSA-N 407.923 3.237 0 40 HGAB COc1ccc(CC(=O)C[C@H]2c3c(cc4c(c3OC)OCO4)CCN2C)cc1OC 20111744 RHSXACKJDFTASK-KRWDZBQOSA-N 413.470 3.172 0 40 HGAB biogenic COc1ccc(C(=O)[C@@H](C)Sc2ccc(S(=O)(=O)N3CCCC3)cn2)cc1 31754408 MTZVZGNQACBXAT-CQSZACIVSA-N 406.529 3.238 0 40 HGAB O=C(N[C@@H]1CCCc2ccccc21)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 1345741 ZFMAOXFTCTTZPT-JOCHJYFZSA-N 412.555 3.422 0 40 HGAB O=C(OCC(=O)N1CCc2ccccc21)c1ccc(I)cc1 3253554 LUBKAKSUHFMNOQ-UHFFFAOYSA-N 407.207 3.037 0 40 HGAB CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)c2cc(C)n(C[C@@H]3CCCO3)c2C)C1=O 3453969 AGEXLUAZHVHRBN-YADARESESA-N 423.513 3.324 0 40 HGAB COc1ccc(-n2nnc3c(SCC(=O)Nc4ccccc4F)ncnc32)cc1 4166747 SJPCBXXLFPAZFF-UHFFFAOYSA-N 410.434 3.089 0 40 HGAB Cc1ccccc1-c1nc2scc(CCNC(=O)C(=O)Nc3ccccc3)n2n1 4375635 LENWFOIWCUWBQE-UHFFFAOYSA-N 405.483 3.064 0 40 HGAB CCOC(=O)c1ccc(N2CCN(C(C)=O)CC2)c(NC(=O)c2ccc(CC)cc2)c1 4712227 SJIGJZFQOORTQH-UHFFFAOYSA-N 423.513 3.347 0 40 HGAB Cc1cccc(-n2c(SCC(=O)N3CCOCC3)nnc2-c2ccoc2C)c1C 4851797 QIXPPAIZPSNCMP-UHFFFAOYSA-N 412.515 3.403 0 40 HGAB COc1ccc(-c2noc(CN(C)C(=O)c3c(OC)cccc3OC)n2)cc1OC 4943744 XSSNLMLMFVPGQO-UHFFFAOYSA-N 413.430 3.043 0 40 HGAB COc1ccc(N2C(=O)CS[C@@]23C(=O)Nc2ccc(Br)cc23)cc1 5117083 WIBGXSUNAURFIF-KRWDZBQOSA-N 405.273 3.343 0 40 HGAB Cc1ccccc1C(=O)NC(=S)Nc1ccccc1N1CCN(C(=O)C(C)C)CC1 6896002 JLAVDPMXPPKFNT-UHFFFAOYSA-N 424.570 3.426 0 40 HGAB Cc1ccc(C)c(NC(=O)[C@H](OC(=O)C[C@@H]2CCS(=O)(=O)C2)c2ccccc2)c1 7630037 QDVDPTFHZYBTRD-LAUBAEHRSA-N 415.511 3.351 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CCc1c(C)noc1C 8389854 GEEXNQKAEBMOMJ-UHFFFAOYSA-N 421.519 3.046 0 40 HGAB Cc1c(Cl)cccc1N1CCn2c1nc1c2c(=O)n(Cc2ccccc2)c(=O)n1C 9242957 HRFSYWVXPXKQNM-UHFFFAOYSA-N 421.888 3.059 0 40 HGAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccccc1C(=O)c1cccs1 9386210 CYNVKIWADSDZIY-UHFFFAOYSA-N 403.463 3.488 0 40 HGAB Cn1c(=O)n(Cc2ccc(Cl)cc2)c(=O)c2c1nc1oc(-c3ccc(F)cc3)cn12 9789694 JMNVEYNPHIUWGV-UHFFFAOYSA-N 424.819 3.449 0 40 HGAB COc1ccc(C)cc1CN(C)C(=O)CCc1c(C)nc2nc(SC)nn2c1C 9918759 HUCKQZXLHNFUAQ-UHFFFAOYSA-N 413.547 3.371 0 40 HGAB CC(C)c1ccc(N(CC(=O)NCCCN(C)C)S(=O)(=O)c2ccccc2)cc1 10111352 BRHLSAVEHVGDNI-UHFFFAOYSA-N 417.575 3.073 0 40 HGAB COc1ccc(OC)c(CC(=O)N2CCC[C@H](c3ncncc3-c3cc(C)no3)C2)c1 12128039 MMCKDAQDRMVGOU-INIZCTEOSA-N 422.485 3.406 0 40 HGAB COc1ccc(C(=O)N2CCC[C@@H](c3cc(C(F)(F)F)n4ncnc4n3)C2)cc1 12226904 YNRTZOJCHGOIJC-CYBMUJFWSA-N 405.380 3.172 0 40 HGAB CCOc1cc2c(cc1COC(=O)c1ccccc1NS(C)(=O)=O)O[C@H](C)C2 12532474 JLVOBUWCAJIDRF-CYBMUJFWSA-N 405.472 3.137 0 40 HGAB COC(=O)c1c(CSc2nnc(SCC(N)=O)s2)nc2ccccc2c1C 12889777 UYXPEZVHNTZFQA-UHFFFAOYSA-N 420.541 3.051 0 40 HGAB CCc1ccc2nc(N(CCN3CCOCC3)C(=O)c3cc(C)no3)sc2c1 13595934 POKXAXZMIWKIIL-UHFFFAOYSA-N 400.504 3.134 0 40 HGAB COc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2NC[C@H]2CCCO2)cc1 17208841 VRANFUKUUGPJMY-OAHLLOKOSA-N 414.487 3.030 0 40 HGAB CC(C)c1cc(C(=O)N2CCC[C@@H](c3nc(-c4cccs4)cc(=O)[nH]3)C2)n(C)n1 19452252 YQSMRRFCJYVCAM-CQSZACIVSA-N 411.531 3.375 0 40 HGAB C[C@H]1C[C@H]1C(=O)N1CCCC[C@@H]1c1nc(=O)c2c([nH]1)CN(Cc1cccs1)CC2 19463388 KGTBTABUXNEZMY-POZUXBRTSA-N 412.559 3.099 0 40 HGAB CCCc1cc(C(=O)NCCn2c(C(F)(F)F)cc(=O)c3cc(C)ccc32)[nH]n1 19525231 XTTCFXMKOOHQMY-UHFFFAOYSA-N 406.408 3.434 0 40 HGAB COc1ccccc1N1C[C@@H](c2cc(=O)[nH]c(NCc3cccc(F)c3)n2)CC1=O 19571109 ADSALEXHCMHWSG-HNNXBMFYSA-N 408.433 3.050 0 40 HGAB CN1CCN(C(=O)c2cc(N3C(=O)CCC3=O)ccc2Cl)[C@H](c2ccccc2)C1 19589364 VMNRSYVWYOFWJS-IBGZPJMESA-N 411.889 3.122 0 40 HGAB COCCC(=O)N1CCc2nc(-c3ccncc3)nc(Nc3cccc(F)c3)c2C1 19593210 DGWMLVIFVLRUQJ-UHFFFAOYSA-N 407.449 3.343 0 40 HGAB COc1ccccc1CN(C(=O)c1ccc(N2CCOCC2)cc1)C1CCN(C)CC1 19660228 NMUXYCLZJYNTQO-UHFFFAOYSA-N 423.557 3.268 0 40 HGAB O=C(NCCS(=O)(=O)c1ccc(F)cc1)c1cnc(-c2ccc(Cl)cc2)nc1 19662136 DPGOAQWOMFTIEV-UHFFFAOYSA-N 419.865 3.140 0 40 HGAB CCn1nc([C@@H](C)C(=O)NCCc2nc3cc(C)c(C)cc3[nH]2)c2ccccc2c1=O 19716973 RDPDZQMRRMFGAE-MRXNPFEDSA-N 417.513 3.372 0 40 HGAB Cc1nnsc1C(=O)N1CCC[C@@H](N(C)C(=O)c2nccc3ccccc23)CC1 19749711 SDJPMHFMBHFQRG-MRXNPFEDSA-N 409.515 3.162 0 40 HGAB CNc1cc(CN(C)C(C)=O)nc([C@H]2CCCN2Cc2cccc3ncccc23)n1 19760561 IBQCQQQYRPFGBO-OAQYLSRUSA-N 404.518 3.382 0 40 HGAB COc1ccc(OCC(=O)N2CCN(Cc3ccccc3Br)CC2)cc1 19889399 HBNMUHGQYMEZBV-UHFFFAOYSA-N 419.319 3.181 0 40 HGAB CCN(CC(=O)N[C@H](C)c1ccc(OC)cc1)S(=O)(=O)c1ccc(Cl)cc1 20014086 LZPGWQZCBTVZJV-CQSZACIVSA-N 410.923 3.237 0 40 HGAB CC[C@@H](C)NS(=O)(=O)c1ccc(OCC(=O)N[C@H](C)c2ccc(OC)cc2)cc1 20019542 NOPXBECEUFHIST-HZPDHXFCSA-N 420.531 3.028 0 40 HGAB O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccc(F)cc2)N1CCCN1CCOCC1 20219624 CYDYYGALNNNRAW-NRFANRHFSA-N 422.456 3.200 0 40 HGAB COC(=O)c1c(NC(=O)[C@H](c2ccccc2)N2CCOCC2)sc2c1CCC2 20226826 OBXQHWVANUDJHN-SFHVURJKSA-N 400.500 3.035 0 40 HGAB Cc1ccc(N(CC(=O)N[C@H](C)COc2ccccc2C)S(C)(=O)=O)cc1Cl 22337696 MAPGNCFJFVXQFE-MRXNPFEDSA-N 424.950 3.307 0 40 HGAB COc1ccccc1CNC(=O)[C@H](C)N1CCN(Cc2ccc(Cl)s2)CC1 22932460 SBKAVQFJUWUHIA-HNNXBMFYSA-N 407.967 3.233 0 40 HGAB Cc1c(C(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)[nH]c2c1C(=O)CCC2 23559535 BQSGCYLMGAWRKV-UHFFFAOYSA-N 406.408 3.218 0 40 HGAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(F)cc3F)CC2)cc1 23652293 ZFQYTFKPPDSHQS-UHFFFAOYSA-N 424.469 3.403 0 40 HGAB CC(C)c1ccc(-n2nnnc2SCC(=O)c2c[nH]c(C(=O)N3CCCC3)c2)cc1 24510281 WAXSOFJQYVRQTC-UHFFFAOYSA-N 424.530 3.325 0 40 HGAB CCOc1ccc(Nc2nnc(SCc3ccccc3Cl)n(N)c2=O)cc1 28535977 JTYAEWWRYVXOHT-UHFFFAOYSA-N 403.895 3.440 0 40 HGAB CCn1c2ccccc2c2ccc(NC(=O)[C@@H](C)Sc3nc(N)nc(N)n3)cc21 28616937 KLIFVVZOPQQGDU-LLVKDONJSA-N 407.503 3.283 0 40 HGAB CSc1ccc(N2C[C@H](C(=O)NCc3ccc(Cn4ccnc4)cc3)CC2=O)cc1 30217161 GRAQHZAHVYPWBR-LJQANCHMSA-N 420.538 3.323 0 40 HGAB COC(=O)c1ccc(NC(=O)c2nn(C)c3c2Cc2cc(OC)c(OC)cc2-3)cc1 32124531 LNYNWEXKUHGCTD-UHFFFAOYSA-N 407.426 3.047 0 40 HGAB biogenic COc1ccc(-n2c(SCC(=O)NCC(F)(F)F)nc3ccccc3c2=O)cc1 32691645 ZDVJLXRZFMQWOX-UHFFFAOYSA-N 423.416 3.165 0 40 HGAB COc1ccccc1CCNC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1 32731071 QLHWQJQLCHRWCS-UHFFFAOYSA-N 402.441 3.185 0 40 HGAB Cc1cc(NC(=O)c2ccc(-c3ccccc3)nc2C)n([C@@H]2CCS(=O)(=O)C2)n1 32752841 WRBYEHGKXUPVEZ-QGZVFWFLSA-N 410.499 3.174 0 40 HGAB CCC(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1cc2ccc(OC)cc2[nH]c1=O 35313746 ZIFLIQYJQBKARW-HSZRJFAPSA-N 422.481 3.438 0 40 HGAB C[C@@H](c1ccccc1)N1C(=O)[C@@H](CCC(=O)Nc2ccc3c(c2)OCCO3)N=C1O 36593294 MNNANYTVBNVIPD-WMLDXEAASA-N 409.442 3.063 0 40 HGAB COc1ccc(-n2nnc(C(=O)NCCc3cccs3)c2-c2cccnc2)cc1 38487706 WOVCIXRSXMIXRG-UHFFFAOYSA-N 405.483 3.372 0 40 HGAB O=C([C@@H]1C[C@H]1c1cccs1)N1CCN(C(=O)C2(c3ccccc3)CCOCC2)CC1 38730725 LUQMEBVOJGTUPZ-WOJBJXKFSA-N 424.566 3.271 0 40 HGAB CCN(CC(=O)Nc1ccc(Br)cc1F)S(=O)(=O)c1ccccc1 39985295 JJYHOXKLPHXIQY-UHFFFAOYSA-N 415.284 3.238 0 40 HGAB CCn1c(=O)c(C)nc2cc(C(=O)N3CCC[C@H]3c3nnc4n3CCCCC4)ccc21 40080294 ALCPZXUKVWHLMV-IBGZPJMESA-N 420.517 3.020 0 40 HGAB CC[C@@H](NC(=O)[C@H]1CCN(S(C)(=O)=O)c2ccccc2O1)c1ccc(C)c(C)c1 44856590 QBDANFHPHBDNFA-WIYYLYMNSA-N 416.543 3.488 0 40 HGAB NC(=O)CCOc1ccc(NC(=O)COc2ccc(Oc3ccccn3)cc2)cc1 47227144 FPMYDQJRADLNFD-UHFFFAOYSA-N 407.426 3.146 0 40 HGAB O=C(Cn1cccc(-c2nc(-c3ccc(F)cc3)no2)c1=O)Nc1ccc(F)cc1 49002399 LKTCUWOREKMGDU-UHFFFAOYSA-N 408.364 3.482 0 40 HGAB Cc1cc(C)nc(Nc2nc(C(=O)N3CCN(c4ccccc4F)CC3)cs2)n1 49032272 KGAOXWYBVPYPKW-UHFFFAOYSA-N 412.494 3.395 0 40 HGAB CCC(=O)N1CCc2cc(C(=O)CN3CCC(O)(c4ccccc4F)CC3)ccc21 57811718 FZMUNDMQQLGAJO-UHFFFAOYSA-N 410.489 3.291 0 40 HGAB O=C(COc1ccc(F)cc1Br)Nc1ccn(Cc2ccccn2)n1 58173417 XMQNAICJIZPXHT-UHFFFAOYSA-N 405.227 3.246 0 40 HGAB CC(=O)c1ccc(N2CCN(C(=O)c3cccn3Cc3cccnc3)CC2)c(F)c1 58250243 TUZBPPNCBANTDS-UHFFFAOYSA-N 406.461 3.236 0 40 HGAB COc1cc(/C=C/C(=O)NCCO)cc(Br)c1OCc1ccccc1 62715002 OHNDQQCFLIOYNP-BQYQJAHWSA-N 406.276 3.158 0 40 HGAB Cc1nc(-c2ccsc2)sc1C(=O)N1CCC[C@@H]1C(=O)N1CCSCC1 69379032 SODBNZISXPCBFD-CQSZACIVSA-N 407.586 3.360 0 40 HGAB COc1cc(C)c(C)cc1S(=O)(=O)NC[C@@](O)(c1ccccc1)C(F)(F)F 70636489 NEARKJJEJZBDEH-QGZVFWFLSA-N 403.422 3.040 0 40 HGAB O=C(Cn1nc(N2CCC(Cc3ccccc3)CC2)ccc1=O)NC1CCCCC1 71282511 MPSSGQZXODLUJP-UHFFFAOYSA-N 408.546 3.151 0 40 HGAB CN(C(=O)COC(=O)c1ccccc1I)C1CCCCC1 72329992 SQBDRWKYVSZFTM-UHFFFAOYSA-N 401.244 3.239 0 40 HGAB CCN(CC)C(=O)c1cnc([C@H]2CCCCN2C(=O)COc2ccccc2)nc1C 72345488 PCHOVJVOPDYGMJ-HXUWFJFHSA-N 410.518 3.400 0 40 HGAB CCc1nc(-c2cncnc2[C@H]2CCCN(C(=O)Cc3ccc(OC)cc3)C2)no1 72356146 JTUVZTKTLOFBSZ-INIZCTEOSA-N 407.474 3.046 0 40 HGAB Cc1cccc(CN2CCO[C@@](Cc3ccccc3-c3ccccc3)(C(N)=O)C2)n1 72389032 VPAGRLHREXDIGP-RUZDIDTESA-N 401.510 3.356 0 40 HGAB Cc1cc(C)n(-c2ccc(C(=O)N3CCN(c4ccc(F)c(Cl)c4)CC3)nn2)n1 77197130 QLLLLDXDPMIVKQ-UHFFFAOYSA-N 414.872 3.034 0 40 HGAB CC(C)(c1ccccc1)c1ccc(OS(=O)(=O)C2CCS(=O)(=O)CC2)cc1 95347316 VYWVSDFRJYGCTA-UHFFFAOYSA-N 408.541 3.298 0 40 HGAB COC(=O)c1nc(NC(=O)c2nn(C)c(=O)c3ccccc23)sc1-c1ccccc1 95474165 HKTYGOWFTBHIMV-UHFFFAOYSA-N 420.450 3.096 0 40 HGAB C[C@H](NC(=O)c1cc2c(F)cccc2[nH]1)c1cc(O)n2nc(C3CCOCC3)cc2n1 100769408 JKPNWQHUUBWULZ-LBPRGKRZSA-N 423.448 3.440 0 40 HGAB CC[C@H](C(=O)NCc1cccc(OC(C)C)c1)N(c1ccc(F)cc1)S(C)(=O)=O 113949703 QXWRVVSOFAWBMU-HXUWFJFHSA-N 422.522 3.474 0 40 HGAB COc1ccc([C@@H](C)NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)cc1 113956672 BGCPPVSVYJBCNS-MRXNPFEDSA-N 402.516 3.361 0 40 HGAB CCOC(=O)c1ccc(NC(=O)c2cc(N(C)S(C)(=O)=O)ccc2Cl)cc1 222489669 ALJXJNUUNJNEPR-UHFFFAOYSA-N 410.879 3.165 0 40 HGAB CC(C)NC(=O)c1ccccc1NC(=O)c1cccc(N2CCCCS2(=O)=O)c1 222553098 ULFKCSJDLOHPSP-UHFFFAOYSA-N 415.515 3.007 0 40 HGAB COc1ccc(-c2noc(CNS(=O)(=O)Cc3c(F)cccc3Cl)n2)cc1 223649121 KAEXQYTUQRSERQ-UHFFFAOYSA-N 411.842 3.157 0 40 HGAB Cc1cc(C(=O)NCCOc2ccccc2C(C)C)ccc1N(C)S(C)(=O)=O 223825855 VVKUQTZNYQZBOW-UHFFFAOYSA-N 404.532 3.323 0 40 HGAB CN(c1ccc(C(=O)NCCOc2ccccc2)cc1)S(=O)(=O)c1cccs1 224236347 VCZUXULEVIUQTP-UHFFFAOYSA-N 416.524 3.382 0 40 HGAB COC(=O)c1cc(S(=O)(=O)Nc2nnc(-c3ccccc3)s2)ccc1Cl 224934954 YMMIDWMLLWXUHZ-UHFFFAOYSA-N 409.876 3.446 0 40 HGAB O=C1[C@@H]2C[C@@H](CN2C(=O)Cc2ccccc2)Oc2ccccc2N1Cc1cccnc1 225478823 NRVLUYAHZFAUDX-UNMCSNQZSA-N 413.477 3.219 0 40 HGAB biogenic,in-vitro CC1CCC(N2CCc3nc([C@@H]4CCCN(C(=O)[C@H]5C[C@@H]5C)C4)nc(O)c3C2)CC1 248106443 LRJJRJGCDCTXNE-BPJBSSMVSA-N 412.578 3.481 0 40 HGAB COc1ccc(C2=NO[C@@H]3[C@H]4C[C@H]([C@@H]5C(=O)N(c6c(C)cccc6C)C(=O)[C@H]54)[C@H]23)cc1 248180482 DEBBZXPRNSMGBS-SQIVEWABSA-N 416.477 3.487 0 40 HGAB COc1cc(CC(=O)N2CC[C@](C)(O)[C@@H](Oc3ccc(Cl)cc3)C2)ccc1O 257216132 CTFVUVZDEYXJNJ-FPOVZHCZSA-N 405.878 3.028 0 40 HGAB CC(C)CCNC(=O)c1nnc2n1CC1(CC2)CCN(Cc2cccc(F)c2)CC1 306132779 LSAVRRVRHOHQIL-UHFFFAOYSA-N 413.541 3.422 0 40 HGAB COc1ccc(Br)c(C(=O)N2CC[C@@H](Oc3nc(C)cc(C)n3)C2)c1 390828828 URWDZPWUHUFYCV-CQSZACIVSA-N 406.280 3.158 0 40 HGAB CC[C@H](C)NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(OC)c(Cl)c1 408581868 AYFKWTKTHTXVNN-HNNXBMFYSA-N 424.950 3.454 0 40 HGAB CCc1ccc(CNC(=O)c2ccccc2NC(=O)C(=O)NCc2ccco2)cc1 408709710 FVUXWDUBBNTGGS-UHFFFAOYSA-N 405.454 3.027 0 40 HGAB CS(=O)(=O)N(CC(=O)NCc1ccccc1Cl)c1cccc(C(F)(F)F)c1 409110897 ZKJBSHOIQBDRJF-UHFFFAOYSA-N 420.840 3.441 0 40 HGAB Cc1cc(C)c(NC(=O)CSc2nnc(CNC(=O)c3ccccc3)n2C)c(C)c1 409342339 BRBIRSXJMMTVFG-UHFFFAOYSA-N 423.542 3.401 0 40 HGAB C[C@@]12C[C@@H](c3ccccc3O1)[C@H](C(N)=O)C(=O)N2CCNc1cccc2ccccc12 604418756 YVTQITVTMFONTF-SWHJIRTISA-N 415.493 3.478 0 40 HGAB COCCN1C(=O)[C@H](CC(=O)Nc2ccc(Cl)cc2)Cn2c1nc1ccccc12 1548338261 VDUXSVKBRJLDEJ-CQSZACIVSA-N 412.877 3.328 0 40 HGAB Nc1nnc(SCC(=O)Nc2ccc(Br)cc2)n1-c1ccccc1 624945 MMEKEVGEKYTGQG-UHFFFAOYSA-N 404.293 3.343 0 40 HGAB O=C(NC[C@H]1CCCO1)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1 780545 WJORMUYJKBWZLY-OFNKIYASSA-N 410.539 3.412 0 40 HGAB CC(C)(C)[C@H]1CCc2c(sc3nnn(CC(=O)NCCc4ccccc4)c(=O)c23)C1 1321049 FTEKWVJGSRRQIA-INIZCTEOSA-N 424.570 3.363 0 40 HGAB COc1cccc(OC)c1NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 1379536 IOYYXTVGMCBEPM-HNNXBMFYSA-N 424.906 3.149 0 40 HGAB CCCCOc1ccc(NC(=O)[C@@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@H]32)cc1 2087463 BCTINLARZZWKRE-KWXDATOUSA-N 421.490 3.201 0 40 HGAB biogenic CCC[C@H](NC(=O)[C@@H](C)Oc1ccc2c3c(c(=O)oc2c1C)CCCC3)C(=O)O 2118259 ZIJZMHVMJCIGHL-DYVFJYSZSA-N 401.459 3.117 0 40 HGAB biogenic O=C(COC(=O)CNC(=O)c1ccc(Cl)cc1Cl)NCCCc1ccccc1 2647191 VOPKPMMVEPESLX-UHFFFAOYSA-N 423.296 3.015 0 40 HGAB CCOc1ccc(NC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)cc1 3167069 VHWXKBGEDHZOMT-HOTGVXAUSA-N 418.515 3.136 0 40 HGAB Cc1cc(I)ccc1NC(=O)COC(=O)c1cccc(O)c1 3287502 PHWPCJOIRAKFRC-UHFFFAOYSA-N 411.195 3.101 0 40 HGAB Cc1ccc2cc(CCNC(=O)C(=O)c3c(C)[nH]c4ccccc34)c(=O)[nH]c2c1C 4033751 ZUDBDAFCNNDQBS-UHFFFAOYSA-N 401.466 3.476 0 40 HGAB COc1ccc(CCNC(=O)/C(=C\c2ccco2)NC(=O)c2ccccc2)cc1OC 4839353 XCJLWUAGVOSJQU-CAPFRKAQSA-N 420.465 3.427 0 40 HGAB C[C@@H]1CCCC[C@H]1NC(=O)CSc1ccc(S(=O)(=O)N2CCCCC2)cn1 5634782 ZSCJVJYEDSISEC-NVXWUHKLSA-N 411.593 3.043 0 40 HGAB Cc1ccc(CN(C(=O)[C@H](C)Oc2cccc(C)c2C)[C@H]2CCS(=O)(=O)C2)o1 6810340 TZDWKWLIMFOUPN-ROUUACIJSA-N 405.516 3.188 0 40 HGAB CCN(CC)S(=O)(=O)c1cc(NS(=O)(=O)c2ccc(C)cc2C)ccc1C 7056817 MSMQXTJHZXISHW-UHFFFAOYSA-N 410.561 3.443 0 40 HGAB C[C@@H]1Oc2ccc(NC(=O)Cn3c(C(F)(F)F)nc4ccccc43)cc2NC1=O 7118896 OPGBUOPJQAZETR-JTQLQIEISA-N 404.348 3.413 0 40 HGAB Cc1cc(S(=O)(=O)Nc2cccc(C(=O)NC3CC3)c2)ccc1Br 7325548 VZNUNZQJPMTOGP-UHFFFAOYSA-N 409.305 3.451 0 40 HGAB COC(=O)c1c(NC(=O)CN(C)Cc2ccc3c(c2)OCO3)sc2c1CCCC2 7640171 ATGOBZJNNLLCNN-UHFFFAOYSA-N 416.499 3.213 0 40 HGAB CCOC(=O)c1c(NC(=O)CN[C@H](c2ccccc2)C(C)C)sc(C(N)=O)c1C 8002907 UFCWNDXZZQPGDW-KRWDZBQOSA-N 417.531 3.258 0 40 HGAB CCCNC(=O)CSc1nnc(S[C@@H](C)C(=O)N2CCCC[C@H]2CC)s1 8130070 IEIUDLFLQZLRFO-QWHCGFSZSA-N 416.638 3.428 0 40 HGAB COc1ccc(Cl)cc1NC(=O)c1ccc(OC)c(S(=O)(=O)NC(C)C)c1 8475910 KYJIZWIGAZGBJN-UHFFFAOYSA-N 412.895 3.296 0 40 HGAB CCCCNC(=O)NC(=O)CN(Cc1ccc(OC(F)F)c(OCC)c1)C1CC1 8747927 IHNAAILGQSXPDW-UHFFFAOYSA-N 413.465 3.277 0 40 HGAB COCCOC(=O)C1=C(C)N(c2ccccc2)C(=O)N[C@H]1c1ccc(C(=O)OC)cc1 8861397 WHOZMNTWXUFOKZ-FQEVSTJZSA-N 424.453 3.208 0 40 HGAB O=C1c2ccccc2C(=O)N1CCc1nc(-c2ccc(OC(F)(F)F)cc2)no1 9184026 XMYRILJJQOHYEQ-UHFFFAOYSA-N 403.316 3.474 0 40 HGAB COCCN(Cc1cc2cc(C)ccc2[nH]c1=O)S(=O)(=O)c1ccc(Cl)cc1 9510404 KHSBHBIAXFIXSA-UHFFFAOYSA-N 420.918 3.327 0 40 HGAB COc1ccc(S(=O)(=O)Nc2nc(CC(=O)Nc3cccc(F)c3)cs2)cc1 9828646 WEJODKAFBFTGLP-UHFFFAOYSA-N 421.475 3.273 0 40 HGAB O=C1NC2(CCN(C(=O)c3ccc(CN4CCCCC4)cc3)CC2)Nc2ccccc21 12117910 FRVFEMIQUCBWIM-UHFFFAOYSA-N 418.541 3.460 0 40 HGAB CCCc1ccc(NC(=O)CNc2ccc(OCC)c(S(=O)(=O)N(C)C)c2)cc1 12528581 RATGXGXHUVZKFL-UHFFFAOYSA-N 419.547 3.339 0 40 HGAB CC(C)CCSc1nc2c(c(=O)n(C)c(=O)n2C)n1CCCc1ccccc1 12550308 HISYITOHYFLFRE-UHFFFAOYSA-N 400.548 3.205 0 40 HGAB CN(Cc1ccccc1N1CCOCC1)S(=O)(=O)c1ccc2c(c1)CCCC2 12557866 NDZIDVUNGFLEJW-UHFFFAOYSA-N 400.544 3.223 0 40 HGAB COc1ccc(C(=O)N2CCC[C@@H](C(=O)NCc3ccccn3)C2)c2ccccc12 12557916 UOOQBOZUZRIEBL-QGZVFWFLSA-N 403.482 3.412 0 40 HGAB CCCCc1nnc(NC(=O)Cn2c(-c3ccc(OC)cc3)n[nH]c2=S)s1 12753097 UQCJDNDJQUCOTF-UHFFFAOYSA-N 404.521 3.449 0 40 HGAB CC(C)(C)NC(=O)Cn1c(SCC(=O)NC2CCCCC2)nc2ccccc21 12881954 OPPHAFWPTVFMEK-UHFFFAOYSA-N 402.564 3.492 0 40 HGAB O=C(Cc1csc(NC(=O)c2ccco2)n1)NCCc1ccc(-n2cccn2)cc1 14227605 HRBDVXIHQFOGFM-UHFFFAOYSA-N 421.482 3.076 0 40 HGAB O=C(CN1C(=O)S/C(=C/c2ccc(Br)cc2)C1=O)N1CCCCC1 14903978 IELVWPKLQGWKKW-GXDHUFHOSA-N 409.305 3.498 0 40 HGAB O=C(OCc1cc(=O)n2nc(C3CC3)sc2n1)c1ccccc1Br 15734101 LLHZVKNFXBJYDW-UHFFFAOYSA-N 406.261 3.148 0 40 HGAB C[C@H]1C[C@@H](C)CN(C(=O)CSc2nnc(Cc3cccc4ccccc34)n2N)C1 15879356 BBOLWXZOSWUWDA-IYBDPMFKSA-N 409.559 3.333 0 40 HGAB CCCC(=O)NCCn1nc(C2CCN(Cc3cccc(C)n3)CC2)c2cccnc21 19501756 ZPEYCZOHJGYFQJ-UHFFFAOYSA-N 420.561 3.431 0 40 HGAB CCOc1cc(C)ccc1OCC(=O)N1CCC(c2cc3ncccc3c(=O)[nH]2)CC1 19532230 LBTWODILABVTOS-UHFFFAOYSA-N 421.497 3.415 0 40 HGAB Cc1cc2nc(C)c(CCC(=O)N3CCC(CCn4ccnc4C)CC3)c(C)n2n1 19657206 SBRURJVWNVCLJJ-UHFFFAOYSA-N 408.550 3.421 0 40 HGAB Cc1cc(C)c2cc(C(=O)N3CCc4nc(N5CCC[C@H](C)C5)[nH]c(=O)c4C3)[nH]c2c1 19663413 JQDDMPZUYHZVGU-AWEZNQCLSA-N 419.529 3.303 0 40 HGAB Cc1nn(C)cc1C(=O)N1CCCC[C@@H]1c1nc(C)c2c(n1)N(CC1CC1)CCC2 19706247 JXKCWAQGEWIVGP-HXUWFJFHSA-N 408.550 3.357 0 40 HGAB Cc1cc(S(=O)(=O)[C@H](CN2C(=O)c3ccccc3C2=O)c2cccnc2)ccc1F 19941874 ZNVVYNCZOONQAL-HXUWFJFHSA-N 424.453 3.340 0 40 HGAB CC(C)NC(=O)[C@@H](C)[C@@H]1CC[C@@]2(C)CC[C@H](NC(=O)c3ccncc3)[C@@H](C)[C@@H]2[C@H]1O 20467013 MYTWZHOLJXRBSC-WLULSOSOSA-N 415.578 3.164 0 40 HGAB biogenic,in-vitro COCCN1C(=O)c2ccccc2[C@H](C(=O)NCc2ccncc2)C12CCCCC2 20722004 ZAZQGZLOBQFVIK-OAQYLSRUSA-N 407.514 3.287 0 40 HGAB Cc1cc(S(=O)(=O)NC(C)C)ccc1OCC(=O)N[C@H](C)c1ccc(F)cc1 22537219 MYLHJIGZZLUPFR-OAHLLOKOSA-N 408.495 3.077 0 40 HGAB COc1ccccc1-n1cnn(CN2CCN(Cc3cccc(C)c3)CC2)c1=S 22926703 BEEMLTWOJMPJAJ-UHFFFAOYSA-N 409.559 3.496 0 40 HGAB COc1ccccc1NC(=O)C1CCN(S(=O)(=O)Cc2ccc(C)cc2)CC1 24608997 RWLAQTYDFMAWDU-UHFFFAOYSA-N 402.516 3.184 0 40 HGAB COc1ccccc1-c1cc(COC(=O)c2cccc(CS(C)(=O)=O)c2)on1 26274992 HGMXZEWESGWZKK-UHFFFAOYSA-N 401.440 3.252 0 40 HGAB C[C@@H](NCCC(=O)N1CCN(c2ncccn2)CC1)c1ccc(Cl)cc1Cl 26901898 YYSGSXAWMXPRIL-CQSZACIVSA-N 408.333 3.173 0 40 HGAB CCOC(=O)[C@H]1CSCCN1C(=O)c1ccc2c(c1)nc(C)n2-c1ccccc1 29993690 BKVIINUBLZUUIQ-HXUWFJFHSA-N 409.511 3.455 0 40 HGAB CN(Cc1ccccc1)C(=O)[C@@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 30852401 IZVVBCYDPXHYPR-JOCHJYFZSA-N 414.571 3.320 0 40 HGAB Cc1nnc(NC(=O)c2ccc3c(c2)C(=O)N(CCCc2ccccc2)C3=O)s1 31808330 RUQWUKKLELQLRI-UHFFFAOYSA-N 406.467 3.328 0 40 HGAB CC(=O)c1cccc(N2C(SCc3ccc(F)cc3)=N[C@H]3CS(=O)(=O)C[C@@H]32)c1 32639942 YOTXVGJLEHRKLA-OALUTQOASA-N 418.515 3.303 0 40 HGAB CS(=O)(=O)c1ccc(C(=O)NCc2cccnc2Oc2cccc(F)c2)cc1 32924699 BMKCPCBLLPZOHI-UHFFFAOYSA-N 400.431 3.347 0 40 HGAB Cc1sc(NC(=O)CN(Cc2ccccc2)C(=O)c2ccncc2)c(C(N)=O)c1C 35312679 OJPHKNVODHZHDO-UHFFFAOYSA-N 422.510 3.140 0 40 HGAB COc1cccc(-c2cc(C(=O)N[C@H](C)Cn3ccc(C)n3)c3c(C)nn(C)c3n2)c1 36615816 RFZLNNFWGNPYIH-OAHLLOKOSA-N 418.501 3.276 0 40 HGAB CCOc1ccc([C@H]2[C@@H](C(=O)Nc3ccccc3)[C@H](C)Nc3ncnn32)cc1OC 36701688 HJXMRPJZDVINSI-GKCIPKSASA-N 407.474 3.344 0 40 HGAB CN1CCN(C(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)[C@@H](c2ccccc2)C1 39983367 WGCJKTBILXGTKH-MRXNPFEDSA-N 413.827 3.036 0 40 HGAB COc1ccc2cc([C@@]3(C)NC(=O)N(C[C@@H](O)c4ccccc4F)C3=O)ccc2c1 40068497 YZXMBBFXTYNOHD-NFBKMPQASA-N 408.429 3.488 0 40 HGAB C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)c2)C[C@@H](C)O1 40161043 VQDDBDIDHFCTEY-ISIBIEBGSA-N 408.564 3.039 0 40 HGAB CCc1ccccc1NC(=O)[C@@H]1CC(=O)Nc2nc(Nc3ccccc3)[nH]c(=O)c21 40399177 CWRWNECQOAMANT-OAHLLOKOSA-N 403.442 3.140 0 40 HGAB COc1ccc(CN(C)C(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)cc1 44818772 DXCPTTRHVVNDKA-UHFFFAOYSA-N 402.516 3.142 0 40 HGAB C[C@H]1CN(c2ccc(NC(=O)CCc3nnc(-c4ccsc4)o3)cn2)C[C@@H](C)O1 48277137 ADNQGVNMFXTUSQ-OKILXGFUSA-N 413.503 3.378 0 40 HGAB CC(C)CCn1c(=O)c2ccccc2n(CC(=O)N[C@@H]2CCc3ccccc32)c1=O 57526221 LBUNFTRTOSKLPF-HXUWFJFHSA-N 405.498 3.013 0 40 HGAB C[C@H](NC(=O)N1CCN(c2ccccc2)CC1)C(=O)Nc1nc2ccccc2s1 61718899 HNKCGTWDDZCSAS-HNNXBMFYSA-N 409.515 3.155 0 40 HGAB COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)NCc1ccccn1)C(=O)OC2 62001392 LPPZEZGIAJHWNR-VGOFMYFVSA-N 410.470 3.360 0 40 HGAB biogenic CCCNC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)c2cc(C(C)(C)C)ccc2O1 64985609 LXVCUBLSSVQRQL-HXUWFJFHSA-N 416.543 3.467 0 40 HGAB O=C(NC1CCCC1)[C@H]1CN(S(=O)(=O)c2ccccc2)c2cc(Cl)ccc2O1 64985642 VXOXIFXUIAVSJP-LJQANCHMSA-N 420.918 3.355 0 40 HGAB COc1cc(CN2CCC(c3cc(O)nc(-c4ccccn4)n3)CC2)cc(OC)c1O 72392858 LWQGOKVVSANUQG-UHFFFAOYSA-N 422.485 3.347 0 40 HGAB CC(C)=C[C@@H]1[C@@H](C(=O)N2CCC(C(=O)NCCCN3CCCCC3)CC2)C1(C)C 78714442 WJNORECRZSHEOY-RTWAWAEBSA-N 403.611 3.456 0 40 HGAB Cc1cc(C(C)(C)C)cc(C)c1CCNC(=O)CN1CCN(Cc2ccon2)CC1 78947688 NLTSMWLACKOZLM-UHFFFAOYSA-N 412.578 3.065 0 40 HGAB C[C@H](CS(C)(=O)=O)N(C(=O)Nc1ccccc1OC[C@H]1CCCCO1)C1CC1 89904095 ZLSZLNHTBFAZQF-NVXWUHKLSA-N 410.536 3.064 0 40 HGAB CCCCOc1ccc(-c2nnc(CN3CC[C@H](N4CCN(CC)CC4)C3)o2)cc1 89954823 NKYKALLLJBVABZ-FQEVSTJZSA-N 413.566 3.127 0 40 HGAB CCCCc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N[C@@H](C)CO)c2)cc1 95349460 VFGGKRWFRXHTAW-INIZCTEOSA-N 404.532 3.249 0 40 HGAB CCOC(CNC(=O)COc1ccc(Br)cc1)(OCC)c1ccccn1 95464917 IYENEDNMTWOFKH-UHFFFAOYSA-N 423.307 3.265 0 40 HGAB COc1ccc(-n2nc3c4cc(C(=O)NCc5ccco5)ccc4[nH]cc-3c2=O)cc1 101281790 IZJRPNBEDDBRFQ-UHFFFAOYSA-N 414.421 3.350 0 40 HGAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)cc1 107980514 MCGUIHIRTHGSAZ-SNVBAGLBSA-N 403.287 3.308 0 40 HGAB CC[C@@H](NC(=O)CCCN1C(=O)c2ccccc2S1(=O)=O)c1ccc(C)cc1 219445954 FMOZTXCUIMNSCW-GOSISDBHSA-N 400.500 3.187 0 40 HGAB CC(C)c1ccccc1OCCNC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 223797604 FJFNJCKAUMBRRJ-UHFFFAOYSA-N 424.950 3.279 0 40 HGAB CC[C@H](NS(=O)(=O)c1ccc(OC)c(N2C(=O)CCC2=O)c1)c1ccc(C)cc1 224859571 NCKVJATWNRNBPW-KRWDZBQOSA-N 416.499 3.087 0 40 HGAB COc1ccc(S(=O)(=O)Nc2ccc(C(C)C)cc2)cc1N1C(=O)CCC1=O 225615127 UUCKPLYPGOGOSF-UHFFFAOYSA-N 402.472 3.273 0 40 HGAB CCCSc1nnc(NC(=O)[C@@H](C)N(c2ccc(C)cc2)S(C)(=O)=O)s1 225842341 QDXCOFBJXFFRRE-GFCCVEGCSA-N 414.578 3.142 0 40 HGAB COc1cccc(OC)c1CNC(=O)[C@H]1[C@@H]2[C@H]1CC[C@]21CC(=O)c2ccccc2O1 247902467 RDIRINWVFVEDCU-ANCALKEFSA-N 407.466 3.380 0 40 HGAB CC(=O)N1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)N2C(=O)c1ncccn1 257314917 UZDLMFVCJJPFFQ-FPFQSLQCSA-N 404.514 3.092 0 40 HGAB Cc1cc(N2C[C@@]3(F)CN(Cc4cccc(C(=O)O)c4)C[C@@]3(F)C2=O)c(C)s1 306126627 FAOCLTQEJAHPCI-VQTJNVASSA-N 406.454 3.342 0 40 HGAB COc1c(F)c(F)cc(C(=O)N2CC[C@@H](c3cccs3)S(=O)(=O)CC2)c1F 390830963 OPZTWHRAMWNDRT-ZDUSSCGKSA-N 419.446 3.176 0 40 HGAB O=C(CNC(=O)C(=O)Nc1ccc(Cl)cc1)Nc1cccc(Cl)c1Cl 408550475 CTQXLAXPIJMSLF-UHFFFAOYSA-N 400.649 3.340 0 40 HGAB Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3cc(Br)cs3)C2=O)c1 409108142 RZOOSPKEWTXEPO-VGOFMYFVSA-N 420.288 3.350 0 40 HGAB O=C1C[C@H](c2ccc(OCc3ccc(F)cc3)c(Br)c2)N2NC=NC2=N1 409375622 NCYGESYBEPGJDZ-OAHLLOKOSA-N 417.238 3.343 0 40 HGAB O=C(NCc1noc([C@@H]2CCC(=O)N2CCc2ccccc2)n1)Nc1ccc(F)cc1 1775964244 YPUZFJSFMOBBHM-SFHVURJKSA-N 423.448 3.437 0 40 HGAB biogenic,in-vitro CC(C)(C)OC(=O)N1CCN(CC2CCN(c3ccc(C(=O)O)cc3)CC2)CC1 2362803727 BUWHZOZZNAPHJH-UHFFFAOYSA-N 403.523 3.154 0 40 HGAB O=S1(=O)C=C[C@@H](N(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)C1 1280991 AINSWULKPYMMND-OAHLLOKOSA-N 418.323 3.499 0 40 HGAB C[C@H]1CCC[C@H](C)N1S(=O)(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 1368253 RNMZCNIDIAZXCK-IRXDYDNUSA-N 414.593 3.203 0 40 HGAB CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1nnnn1-c1ccccc1 3447489 PQWAXPPEUPINKI-UHFFFAOYSA-N 410.787 3.409 0 40 HGAB COc1ccccc1NC(=O)CSc1ncnc2c1nnn2-c1ccc(C)cc1 4166625 YCBPFIIPTJDGJD-UHFFFAOYSA-N 406.471 3.258 0 40 HGAB CCCOc1ccc(C(=O)N(Cc2ccc(OC)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 4182946 GIWQMOMCFXRJRX-LJQANCHMSA-N 417.527 3.314 0 40 HGAB COc1ccc(C)cc1S(=O)(=O)N[C@H](C)C(=O)Nc1ccccc1C(F)(F)F 4835018 LQSJQCXBLJQZFC-GFCCVEGCSA-N 416.421 3.328 0 40 HGAB O=C(CCC(=O)N(CC(=O)NC1CCCCC1)C1CCCC1)Nc1nccs1 4848327 PWKSXIGNPMUQQR-UHFFFAOYSA-N 406.552 3.082 0 40 HGAB COc1ccc(Cl)c2sc(NC(=O)CN3C(=O)c4ccccc4C3=O)nc12 5256595 KRIFZOFIPMFUNW-UHFFFAOYSA-N 401.831 3.193 0 40 HGAB COCCCn1c(C(=O)N[C@@H](C)c2ccccc2)cc2c(=O)n3ccccc3nc21 5267253 CXSVKKGXOLTXNR-INIZCTEOSA-N 404.470 3.177 0 40 HGAB COc1cc2c(cc1OC)CN(C(=O)COc1ccc(Br)cc1)CC2 5345461 BDZSNUKLELARDL-UHFFFAOYSA-N 406.276 3.430 0 40 HGAB COC(=O)c1ccc(COC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)o1 6623439 VUURKUFWWZUUHI-UHFFFAOYSA-N 415.423 3.224 0 40 HGAB COc1ccc(OC)c(/C=C/C(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)c1 6646177 YAAHXYHUHPYNSJ-DHZHZOJOSA-N 416.499 3.140 0 40 HGAB CCc1nnc(NC(=O)c2cc(S(=O)(=O)N(C)c3ccccc3)cs2)s1 6681084 TVFKMJIYEKGQHL-UHFFFAOYSA-N 408.530 3.239 0 40 HGAB CCN(CC)c1nc2ccc(OC(=O)CN3C(=O)c4ccccc4C3=O)cc2s1 7512921 QDKZGJFZLJAHNY-UHFFFAOYSA-N 409.467 3.344 0 40 HGAB COc1ccc(CCNC(=O)c2ccccc2NCC(=O)Nc2cc(C)on2)cc1 8194042 NRDDAVQDWBMZEP-UHFFFAOYSA-N 408.458 3.015 0 40 HGAB COc1ccc(CNc2nnc(SCc3nnnn3-c3ccccc3)s2)cc1 8327931 RRNHHZSZTXADML-UHFFFAOYSA-N 411.516 3.427 0 40 HGAB O=C(COc1ccc(-n2cnnn2)cc1)N1c2ccccc2OC[C@@H]1c1ccccc1 8428820 BRYBVJWHEADVTD-OAQYLSRUSA-N 413.437 3.208 0 40 HGAB Nc1c([C@@](O)(c2nc3ccccc3s2)C(F)(F)F)cnn1Cc1ccccn1 8726389 OPVLVOSIROTGKA-QGZVFWFLSA-N 405.405 3.317 0 40 HGAB CC[C@@H](C)NC(=O)Cc1csc(SCC(=O)Nc2cccc(NC(C)=O)c2)n1 8849957 XDWSWGJJAOLARD-GFCCVEGCSA-N 420.560 3.290 0 40 HGAB CCOC(=O)c1c(NC(=O)Cn2ncc(Cl)c(Cl)c2=O)sc(C)c1CC 8883303 WTIIFHMCQZMIEC-UHFFFAOYSA-N 418.302 3.298 0 40 HGAB COc1ccc(OC)c(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cccc(C)c3)C2)c1 9226069 PJVOAJZUAFQFAL-MRXNPFEDSA-N 418.515 3.052 0 40 HGAB CCOC(=O)c1sc2ccccc2c1S(=O)(=O)NCc1ccc2c(c1)OCO2 9320836 AXOZNRZYEGAXCT-UHFFFAOYSA-N 419.480 3.285 0 40 HGAB COc1ccccc1N1CCN(c2nc(C)c(Cc3ccc(C)cc3)c(=O)[nH]2)CC1 9625937 VZEXGECXWGDKJI-UHFFFAOYSA-N 404.514 3.313 0 40 HGAB Cc1csc2nc(CSc3nnc([C@@H]4COc5ccccc5O4)o3)cc(=O)n12 9958055 IKRTVVVCOJVZSJ-AWEZNQCLSA-N 414.468 3.252 0 40 HGAB Cc1cc(C(=O)Nc2ccc(C(N)=O)cc2)ccc1NS(=O)(=O)c1ccccc1 10314482 GLHNDAHLKXUDCH-UHFFFAOYSA-N 409.467 3.147 0 40 HGAB Cc1ccccc1OCCSc1nc2ccccc2n1CC(=O)N1CCOCC1 11667489 ZGSAHSXRLYFAQB-UHFFFAOYSA-N 411.527 3.375 0 40 HGAB CCOc1ccc(-n2ccc(=O)c(C(=O)Nc3nonc3-c3ccc(C)cc3)n2)cc1 11914894 XMMVUHAQEXHZOD-UHFFFAOYSA-N 417.425 3.242 0 40 HGAB COc1cc2c(cc1CN1CCc3nc4cc(C(C)(C)C)nn4c(O)c3C1)OCO2 12219925 GMIGRMGXUNZYAR-UHFFFAOYSA-N 410.474 3.028 0 40 HGAB CCCCn1c(N2CCN(C(=O)OCC)CC2)nc2sc3c(c2c1=O)CCCC3 12321212 ACUBGGUSHRKLLV-UHFFFAOYSA-N 418.563 3.415 0 40 HGAB CCCN1C(=O)[C@@](NC(=O)CCC2CCCCC2)(C(F)(F)F)C(C(=O)OC)=C1C 12411062 DFRCWNVWAMRDTQ-LJQANCHMSA-N 418.456 3.463 0 40 HGAB Cn1cccc1[C@@H]1CCCN1CC(=O)N1CCN(Cc2c(F)cccc2Cl)CC1 12985720 HEUBMONCRRCIKJ-NRFANRHFSA-N 418.944 3.299 0 40 HGAB COc1ccc([C@@H]2CCCCCN2C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 13012321 AFFLZVSYWBPEKK-IBGZPJMESA-N 403.504 3.492 0 40 HGAB O=C([C@@H]1CCCN(c2ncnc3scc(-c4ccccc4)c23)C1)N1CCOCC1 14233612 LQDOCSOMZZLGQZ-QGZVFWFLSA-N 408.527 3.434 0 40 HGAB COC(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCCC[C@@H]3C)cc2)s1 15194492 CJLKLGWXMWHZSC-ZDUSSCGKSA-N 422.528 3.350 0 40 HGAB CC(C)C(=O)Nc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)cc1 15560756 XDZUZQVUCFBPDM-OAHLLOKOSA-N 423.469 3.044 0 40 HGAB C[C@H](OC(=O)c1cc(Cl)cc(Cl)c1N)C(=O)N1CC(=O)Nc2ccccc21 15642765 JCDDXMFMYCOSOR-VIFPVBQESA-N 408.241 3.106 0 40 HGAB Cc1cc2n(n1)[C@@H](C(F)F)C[C@@H](C1CCN(C(=O)CN3CCC[C@@H](C)C3)CC1)N2 19128710 SCTCSRYJWGZAEK-FHLIZLRMSA-N 409.525 3.152 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCC(c3cc(C(=O)N4CCCCC4)on3)CC2)cc1 19211349 VHTQRAJGBBSMHT-UHFFFAOYSA-N 417.531 3.177 0 40 HGAB O=C1CCCC[C@@H]1CCC(=O)N1CCC(c2cc(C(F)(F)F)n3ncnc3n2)CC1 19292059 WZLMVWKLBJXGHX-CQSZACIVSA-N 423.439 3.389 0 40 HGAB O=C(c1cccs1)N1CCc2nc([C@H]3CCCN(C4CCCC4)C3)[nH]c(=O)c2C1 19342755 IOXNYFAVOAODFD-HNNXBMFYSA-N 412.559 3.152 0 40 HGAB O=C1CCCC[C@]2(CN(C(=O)COc3cccc(F)c3)C[C@H]2c2ccccc2F)N1 19368206 ZNIGIQRTAVJRRV-WMZHIEFXSA-N 414.452 3.399 0 40 HGAB O=C(c1cccnc1)N1Cc2ccccc2OC2(CCC(N3CCOCC3)CC2)C1 19375586 YLSXNHPAQAMFNU-UHFFFAOYSA-N 407.514 3.130 0 40 HGAB C[C@H](Cn1cc(Cl)cn1)C(=O)N1CCO[C@@H](c2cc3cc(F)ccc3cn2)C1 19457352 FUTNKKILFOBSMM-BFUOFWGJSA-N 402.857 3.460 0 40 HGAB CC[C@@H](C)C(=O)N1CCc2cc([C@H](O)CN3CCCN(c4ccccn4)CC3)ccc21 19499896 ZJHLLYIYFSJPRX-AUSIDOKSSA-N 422.573 3.263 0 40 HGAB COc1cccc(CN2CCN(C(=O)COc3ccc(Cl)cc3)CC2)c1OC 19567917 VRCLHFOCTKFKOA-UHFFFAOYSA-N 404.894 3.080 0 40 HGAB O=C(CN1CCC(Oc2cnccn2)CC1)Nc1ncc(Cc2ccccc2)s1 19657940 WAKVVMQLWBPZOM-UHFFFAOYSA-N 409.515 3.006 0 40 HGAB COc1ccccc1CN1CCN(C(=O)COc2ccc(Br)cc2)CC1 19889309 HADNBHJMOPVSSH-UHFFFAOYSA-N 419.319 3.181 0 40 HGAB COC(=O)c1cccc(NC(=O)c2nnn(-c3ccc(OC(F)F)cc3)c2C)c1 19911324 QZCBUTOACREHFB-UHFFFAOYSA-N 402.357 3.216 0 40 HGAB CCCN1C(=O)[C@@](NC(=O)c2ccccc2OC)(C(F)(F)F)N=C1c1ccccc1 20589642 MIPAXJPHLCDLLA-HXUWFJFHSA-N 419.403 3.383 0 40 HGAB CC(C)N(C(=O)[C@@H](C)Sc1nnc([C@@H]2COc3ccccc3O2)n1C)C(C)C 21603248 WFZWJZGVZCMYIR-PBHICJAKSA-N 404.536 3.454 0 40 HGAB CC(=O)N[C@@H](CC(=O)Nc1cccc(S(=O)(=O)NC(C)(C)C)c1)c1cccs1 22232073 SKDBCEQGMNYCOP-INIZCTEOSA-N 423.560 3.031 0 40 HGAB Cc1ccc(OC[C@@H](C)NC(=O)CN(c2cccc(Cl)c2C)S(C)(=O)=O)cc1 22337360 DMZQUQVYMCFJMH-OAHLLOKOSA-N 424.950 3.307 0 40 HGAB CC[C@H](NC(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O)c1ccc(OC)cc1 22373503 RXEOHEHZXKMDSF-SFHVURJKSA-N 412.458 3.007 0 40 HGAB COc1ccc([C@H](c2sc3ncnn3c2O)N2CCN(c3ccccc3)CC2)cc1 22609447 ALPZGXZXMWFFLN-LJQANCHMSA-N 421.526 3.417 0 40 HGAB Cc1ccc(C)c([C@@H](O)CN2CCN([C@@H](c3ccccc3)c3nccn3C)CC2)c1 22887301 DRCDWKYEJLYIHM-ZEQRLZLVSA-N 404.558 3.478 0 40 HGAB Cc1sc2ncn(CC(=O)N(C)Cc3ccc(OC(F)F)cc3)c(=O)c2c1C 23296959 NIXVBLRJYHGTRD-UHFFFAOYSA-N 407.442 3.335 0 40 HGAB O=C(Nc1ccc(C(=O)OCc2cc(=O)n3ccsc3n2)s1)c1ccco1 23576142 QKLHFCLOBBHWQT-UHFFFAOYSA-N 401.425 3.020 0 40 HGAB COC(=O)c1cccc2c3c([nH]c12)CCN(C(=O)c1cncn1-c1ccccc1)C3 24557175 TWVFSXUKVMEHEH-UHFFFAOYSA-N 400.438 3.339 0 40 HGAB C[C@H]1CCN(C(=O)CN2C(=O)N[C@@H](CCc3ccccc3)C2=O)c2ccccc2S1 24993588 RNJIOAJMQNGIBT-WMZOPIPTSA-N 423.538 3.457 0 40 HGAB COc1ccc([C@@H](CC(=O)OC(C)C)NC(=O)c2cc3ccccc3[nH]c2=O)cc1 25081239 OLAPJGVJUXDLRU-HXUWFJFHSA-N 408.454 3.350 0 40 HGAB O=C(N[C@H](Cc1ccccc1)c1ccccc1)c1cccc(CN2C(=O)CNC2=O)c1 25623924 HWHUWURVMNWYIN-JOCHJYFZSA-N 413.477 3.452 0 40 HGAB NC(=O)[C@H]1CC(C(=O)N[C@H](c2ccccc2)c2cccs2)=NN1c1ccccc1 30864648 ITVOPAFUQFGZTG-UYAOXDASSA-N 404.495 3.074 0 40 HGAB C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)c1ccc(OC[C@@H]2CCCO2)cc1 32753850 DGWPZQMYUXQEKN-JXFKEZNVSA-N 417.527 3.481 0 40 HGAB O=C(N[C@@H]1CCN(Cc2ccccc2)C1)c1ccc(I)cc1 32986433 MFBBCGKWKPHSDO-QGZVFWFLSA-N 406.267 3.296 0 40 HGAB Cc1cc(C)n(CCCNC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)n1 32999750 MKSHLZGAGGEZGG-SFHVURJKSA-N 402.926 3.212 0 40 HGAB NCC(=O)Oc1ccc2c(=O)c(-c3ccc4c(c3)OCCO4)c(C(F)(F)F)oc2c1 33402636 UFGIHYNVDAJFCA-UHFFFAOYSA-N 421.327 3.114 0 40 HGAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3c(C)n(C(C)=O)c4ccccc34)C2=O)o1 33726489 GOIGSHGSFRWHDH-YVLHZVERSA-N 421.409 3.082 0 40 HGAB Cc1nc2ccccn2c1C(=O)NCCc1csc2nc(-c3cccs3)nn12 38669658 XATOPQMVMDUKIX-UHFFFAOYSA-N 408.512 3.448 0 40 HGAB COc1ccc([C@H]2CCCN2C(=O)c2ccc(=O)n(Cc3ccccc3)n2)c(OC)c1 39983246 RDRAOEVAKHUEAN-OAQYLSRUSA-N 419.481 3.286 0 40 HGAB CN(C)c1cccc(C(=O)N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)c1 40087353 DUGRMOVLMMTHGP-UHFFFAOYSA-N 405.420 3.370 0 40 HGAB CN(Cc1ccccc1Br)C(=O)[C@@H]1CCCN(C(=O)N2CCCC2)C1 40092082 NYHMMOPFUNXWFK-MRXNPFEDSA-N 408.340 3.335 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)COC2CCCC2)c1 40140287 SDVMXKYSKOTRFA-UHFFFAOYSA-N 423.579 3.215 0 40 HGAB O=C(c1nc(N2CCCCC2)ncc1Cl)N1CCN(Cc2cccs2)CC1 42767793 KEIPBLQZERRBKJ-UHFFFAOYSA-N 405.955 3.140 0 40 HGAB Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)N(C)Cc1nnc2n1CCC2 48237382 KSJUDWVJWSAVPL-UHFFFAOYSA-N 417.922 3.494 0 40 HGAB O=C(NCc1cccnc1OC1CCCC1)c1cccc(NC(=O)[C@H]2CCCO2)c1 48362121 VAJZELHRVGNBQY-HXUWFJFHSA-N 409.486 3.451 0 40 HGAB COc1ccccc1C(=O)NC1CCN(C(=O)c2cc(-c3ccc(F)cc3)n[nH]2)CC1 49406637 QXZDJAPAQXKATI-UHFFFAOYSA-N 422.460 3.259 0 40 HGAB O=C(O)CC1(CNC(=O)Cn2nc(-c3ccccc3Cl)ccc2=O)CCCCC1 71281535 CPHXBWVNPYSQBZ-UHFFFAOYSA-N 417.893 3.105 0 40 HGAB Cn1cc(NC(=O)c2ccc(NC(=O)N3CCN(c4ccccc4)CC3)cc2)cn1 71282550 YSGSAEPGBQCUBC-UHFFFAOYSA-N 404.474 3.027 0 40 HGAB O=C(O)[C@@H]1COC2(CCN(Cc3ccccc3)CC2)N1C(=O)c1ccccc1Cl 71980566 XXTFNKVCSFSVPG-IBGZPJMESA-N 414.889 3.258 0 40 HGAB CC(C)C[C@H](NC(=O)c1cc2ccc(Br)cc2[nH]1)C(=O)Nc1cc[nH]n1 72272119 JXKLLDXUUMOSMQ-AWEZNQCLSA-N 418.295 3.437 0 40 HGAB CCN(CC)S(=O)(=O)N1CC[C@@H](c2cc(Cc3cccc(F)c3)cc(C)n2)C1 72374760 DHVTVOQWFMDMSJ-LJQANCHMSA-N 405.539 3.496 0 40 HGAB COc1ccc(C(=O)Nc2ccc(-n3cc(Br)cn3)nc2)c(OC)c1 72400769 NFGNMSMEKOTEQO-UHFFFAOYSA-N 403.236 3.299 0 40 HGAB Cc1ccc(CNC(=O)C2CCN(C(=O)[C@@H](C)Cc3c(C)n[nH]c3C)CC2)cc1F 84183195 OFIVWEIQZOLWCR-HNNXBMFYSA-N 414.525 3.208 0 40 HGAB O=C(Nc1ccccc1OC(F)F)N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO 84535855 RFSJONJVHKYTDY-IRXDYDNUSA-N 405.445 3.293 0 40 HGAB Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)N[C@@H](Cc1ccccc1)C(=O)O 95424042 JALXXUQXGVIDDB-KRWDZBQOSA-N 415.852 3.458 0 40 HGAB Cc1cc(=O)c(OCC(=O)NC[C@@H](c2ccccc2)c2c[nH]c3ccccc23)c[nH]1 95476662 MGVFVZQFNFVEHL-IBGZPJMESA-N 401.466 3.492 0 40 HGAB COc1ccc(F)cc1S(=O)(=O)N1CCC(Oc2ccc(Cl)cn2)CC1 96024970 OSQWKJJXSYSANE-UHFFFAOYSA-N 400.859 3.115 0 40 HGAB COc1ccc(CN2C(=O)N[C@@H](CCC(=O)Nc3cccc4[nH]ccc34)C2=O)cc1 96222688 IKJIPPORCODLPD-IBGZPJMESA-N 406.442 3.016 0 40 HGAB biogenic Cc1ccc(CC(=O)N2CC[C@]3(CC[C@@H](C(=O)Nc4cccnc4)O3)[C@H](C)C2)cc1 96261072 PTIHIDJQLUQKFD-UTSGNWPNSA-N 407.514 3.357 0 40 HGAB CCS(=O)(=O)[C@@](Cl)(I)C(=O)c1cccc(Cl)c1 96518265 WSEJQEOLKZNKNM-JTQLQIEISA-N 407.056 3.285 0 40 HGAB CC(=O)c1cccc(NC(=O)[C@H](c2ccccc2)N2CCC(C(=O)N(C)C)CC2)c1 96792288 NPOYWISSPNINLU-QFIPXVFZSA-N 407.514 3.369 0 40 HGAB COc1ccc(C)cc1NC(=O)[C@@H](CCSC)N1C(=O)[C@H]2CCCC[C@H]2C1=O 96924590 ZVOUHFNADVZIJJ-HLLBOEOZSA-N 404.532 3.239 0 40 HGAB CC1=C[C@H]([C@H]2CC(=O)N(c3ccccc3)C2=O)CC2=C1C(=O)N(c1ccccc1)C2=O 102453708 JJEWAJQNVJSFOW-QFBILLFUSA-N 412.445 3.402 0 40 HGAB C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)N[C@H]3CCC[C@@H](C)[C@@H]3C)c2)C[C@@H](C)O1 195544612 VQDDBDIDHFCTEY-BAPGRXHISA-N 408.564 3.039 0 40 HGAB CS(=O)(=O)N(CC(=O)NCc1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1 223263244 RXOFZLMZWBMHOZ-UHFFFAOYSA-N 420.840 3.441 0 40 HGAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1cccnc1 223607905 WXAOFOZAAIPMQA-RTWAWAEBSA-N 407.543 3.239 0 40 HGAB CCC(=O)N1CCc2cc(S(=O)(=O)NCc3cccc(OC(C)C)c3)ccc21 224550971 GOGNVGTWSUAHSQ-UHFFFAOYSA-N 402.516 3.251 0 40 HGAB CSc1ccc(S(=O)(=O)N(CC(=O)O)c2cccc(Br)c2)cc1 224975342 DKYAKCJFPHUZFI-UHFFFAOYSA-N 416.318 3.451 0 40 HGAB COc1ccc(NS(=O)(=O)c2nnc(NC(=O)c3ccc(Cl)cc3)s2)cc1 225231862 FNQRACUFVWRTHY-UHFFFAOYSA-N 424.891 3.253 0 40 HGAB CC(=O)Nc1ccc(S(=O)(=O)N2CC[C@@H](Oc3ccc4ccccc4n3)C2)cc1 245053599 PCHIWBRDQQDIMR-GOSISDBHSA-N 411.483 3.035 0 40 HGAB Cc1nc(C)c(C(=O)N2CCC[C@@](COc3ccc(F)cc3)(CC(N)=O)C2)s1 257285023 PFHDAOYWRGWGBV-HXUWFJFHSA-N 405.495 3.076 0 40 HGAB CCc1nc2ccccc2n1CCC(=O)N(C)[C@@H]1CCC[C@@H](n2ccnc2C)[C@@H]1O 257292833 QNDJEEKLSJPSML-TXTKFYIRSA-N 409.534 3.107 0 40 HGAB CCOc1cc(/C=C2/C(=O)N(c3ccccc3)C(=S)N2C)ccc1OCC(=O)O 409038574 PKSYGHAPZWZNSA-WJDWOHSUSA-N 412.467 3.153 0 40 HGAB CCOC(=O)c1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)O)C3=O)o2)cc1 409124860 KZUJYTMQQRBPDE-OQLLNIDSSA-N 401.396 3.244 0 40 HGAB O=C1c2ccccc2CN1CC(=O)N1CCCC2=C[C@@H]3C[C@@H](CN4CCCC[C@H]34)[C@H]21 409415250 YANKGUFDQNGLKJ-ADGBJGEGSA-N 405.542 3.064 0 40 HGAB COc1ccc([C@@H](NC(=O)CCCn2c(O)nc3ccccc3c2=O)C(C)C)cc1 524733692 GJDKOAQOJFWCDK-NRFANRHFSA-N 409.486 3.404 0 40 HGAB CC(C)N1C[C@H](c2ccccc2)[C@]2(CN(C(=O)Cc3cccc(F)c3)CCO2)C1=O 585107189 QWYNUXUHAYHALF-ZJSXRUAMSA-N 410.489 3.000 0 40 HGAB O=C(c1cc2ccccn2c1)N1CCC[C@@H](Oc2ncc(Br)cn2)C1 585342228 NQIDNYYRJLYKHC-MRXNPFEDSA-N 401.264 3.175 0 40 HGAB C[C@H]1Oc2ccccc2CCCCC2(CCN(C3CCN(C)CC3)CC2)CNC1=O 643563584 CZSQNSVFPZXBED-HXUWFJFHSA-N 413.606 3.473 0 40 HGAB CN(C)c1ccc(C(=O)N2CCC[C@@H](COc3ncc(Br)cn3)C2)cc1 1775968235 UFSJYVXEKKGVQP-CQSZACIVSA-N 419.323 3.236 0 40 HGAB O=C(Nc1cccc(F)c1)[C@]12C[C@@H]1CCN2S(=O)(=O)c1ccc2ncsc2c1 2056224953 ICGIVZIBBCUBGF-BUXKBTBVSA-N 417.487 3.227 0 40 HGAB C[C@@]12CCC(=O)N1c1ccccc1C(=O)N2CCC(=O)N[C@@H]1CCc2ccccc21 45897183 KVFFFMKCEUHDRA-DVECYGJZSA-N 403.482 3.179 0 40 HGAB Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)O[C@H](C)c1nnc(-c2ccccc2)o1 7837659 QFXCRSFPYUAEPM-CQSZACIVSA-N 415.471 3.213 0 40 HGAB COc1ccc(OC)c(NC(=O)CN(c2cccc(Cl)c2C)S(C)(=O)=O)c1 821254 VJUGGUJQLIGFOG-UHFFFAOYSA-N 412.895 3.070 0 40 HGAB O=C(COc1ccc2cc(-c3csc(-c4ccccc4)n3)c(=O)oc2c1)NCCO 20732533 HCQFXAMVTXQGKC-UHFFFAOYSA-N 422.462 3.071 0 40 HGAB CCOC(=O)c1sc(NC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)cc1C 32738605 VPQDXEUOMUVUGV-UHFFFAOYSA-N 422.528 3.198 0 40 HGAB Cc1ccc2[nH]c(=O)c(CN(CCO)[C@H](c3nnnn3C3CCCC3)C(C)C)cc2c1 4848169 BWXIBQYHKLUWGF-NRFANRHFSA-N 424.549 3.130 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3OC)CC2)cc1C 6826019 JLNSIZBOEXSDKJ-UHFFFAOYSA-N 418.515 3.052 0 40 HGAB COc1ccc(C(=O)Nn2c(COc3ccccc3)nc3ccccc3c2=O)cc1 6843373 KCOVRRDMDUUPBZ-UHFFFAOYSA-N 401.422 3.368 0 40 HGAB O=C1CC[C@@]2(C(=O)Nc3cccc(-c4nnnn4C4CC4)c3)Sc3ccccc3N12 32888989 KUVXELQOWDOKQM-NRFANRHFSA-N 418.482 3.243 0 40 HGAB O=C(N[C@H]1CCSc2ccccc21)C1CCN(S(=O)(=O)c2ccccc2)CC1 7985122 WRQDXYUHUANJEM-IBGZPJMESA-N 416.568 3.441 0 40 HGAB O=C(NCCNC(=O)N1CCN(c2cccc(Cl)c2)CC1)c1ccc(Cl)cc1 32803042 HDWYDXGJCXJXSB-UHFFFAOYSA-N 421.328 3.255 0 40 HGAB O=C(/C=C/c1cn(Cc2ccccc2)nn1)N1CCN(Cc2ccc(Cl)cc2)CC1 16494203 IXRTXYXHXXSYPZ-ZHACJKMWSA-N 421.932 3.337 0 40 HGAB C[C@@H]1Cc2ccccc2N1C(=O)CN1C(=O)N[C@@]2(CCCCc3ccccc32)C1=O 8703860 IKVBSKCCMNFRBM-VOIUYBSRSA-N 403.482 3.138 0 40 HGAB CCCN1CCN(C(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)[nH]2)CC1 9199713 VPTYJPBAIZIUGJ-UHFFFAOYSA-N 401.580 3.416 0 40 HGAB CCc1cccc(NC(=O)CSc2nc3ccsc3c(=O)n2CCOC)c1 57425776 GTBVZFCYCXBQCA-UHFFFAOYSA-N 403.529 3.398 0 40 HGAB Cc1ccc(C)c(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1 937641 IXAOIFWDVFPLNJ-UHFFFAOYSA-N 408.545 3.279 0 40 HGAB COc1ccc(CN(C)C(=O)[C@H](C)N(c2cc(C)ccc2C)S(C)(=O)=O)cc1 10357298 WHYOCWVLWVDKME-KRWDZBQOSA-N 404.532 3.125 0 40 HGAB CCN(CC)C(=O)c1ccc(N[C@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)cc1 8191672 SXWJBGRDQCXITI-GOSISDBHSA-N 424.545 3.444 0 40 HGAB O=C([C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1)N1CCc2ccccc2C1 22246320 UXGJRIKZDHXFHW-HSZRJFAPSA-N 420.534 3.161 0 40 HGAB NC(=O)[C@@H]1CCCCN1C(=O)CSc1ncnc2scc(-c3ccccc3)c12 8132628 PHYPCQJOYCVVAB-HNNXBMFYSA-N 412.540 3.317 0 40 HGAB CCCN(CCC)C(=O)Cn1c(=O)n(-c2ccc(F)c(C)c2)c(=O)c2sccc21 57494338 USXWLPBVRNTTCM-UHFFFAOYSA-N 417.506 3.310 0 40 HGAB CCCCNC(=O)c1c(N)n(-c2ccc3c(c2)OCO3)c2nc3ccccc3nc12 2291729 CXGDSDIKNKBSAF-UHFFFAOYSA-N 403.442 3.415 0 40 HGAB CN(C)S(=O)(=O)c1ccc(NC(=O)Cc2csc(-c3ccc(F)cc3)n2)cc1 12767904 XMUCVMGNLDEYLA-UHFFFAOYSA-N 419.503 3.381 0 40 HGAB Cc1ccc(NC(=O)CSc2nnc3nc(O)c(-c4ccc(F)cc4)nn23)c(C)c1 22720716 VQZQKTYBNHQWOU-UHFFFAOYSA-N 424.461 3.379 0 40 HGAB O=C(CCCCCn1cnc2ccccc2c1=O)Nc1nnc([C@H]2CCCO2)s1 36365102 MCLFUJKFOLLISH-MRXNPFEDSA-N 413.503 3.299 0 40 HGAB COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)OCc1ccccn1 16702670 RVLKRBQXRBSCKD-UHFFFAOYSA-N 424.478 3.199 0 40 HGAB CCOCCCNC(=O)c1c(N)n(-c2ccccc2F)c2nc3ccccc3nc12 2343477 UNNBATQNKNTEGX-UHFFFAOYSA-N 407.449 3.451 0 40 HGAB Cc1nc(-c2ccc(CCNC(=O)[C@@H]3CS[C@@]4(C)CCC(=O)N34)cc2)cs1 48299659 RBCSFBUDSNPSAL-PXNSSMCTSA-N 401.557 3.231 0 40 HGAB COc1ccc(-n2cnc3c2NC(=O)C[C@H]3c2cc(OC)c3c(c2OC)OCO3)cc1 36559142 SXPLJRWKMYAQNT-AWEZNQCLSA-N 423.425 3.101 0 40 HGAB C[C@@H]1C[C@@H](C)CN(Cc2ccccc2CNC(=O)c2ccc(S(C)(=O)=O)cc2)C1 48341330 WDPRJRVCWYHJSM-QZTJIDSGSA-N 414.571 3.498 0 40 HGAB CC(C)CN1CCC(C(=O)NC[C@H](c2ccccc2Cl)N2CCOCC2)CC1 48325499 XAZAEQRVINRMLJ-OAQYLSRUSA-N 407.986 3.198 0 40 HGAB CC(C)CN(C(=O)CN(C)Cc1cccc(Cl)c1Cl)[C@@H]1CCS(=O)(=O)C1 12882107 RQZILTAOAJERSS-OAHLLOKOSA-N 421.390 3.097 0 40 HGAB CC(=O)Nc1cccc(NC(=O)c2cn(C)nc2-c2ccc3c(c2)OCCCO3)c1 12819029 CALOFYPBUFUMMA-UHFFFAOYSA-N 406.442 3.459 0 40 HGAB O=S(=O)(NCc1ccc(CN2CCOCC2)cc1)c1cc(Cl)ccc1Cl 12987387 HQPAGDQFOABZNX-UHFFFAOYSA-N 415.342 3.304 0 40 HGAB COc1ccc(-c2cnn3c2N=C(O)C[C@H]3C(=O)Nc2ccc3c(c2)OCO3)cc1 20744443 HLRVBPFKEDKYHW-INIZCTEOSA-N 406.398 3.459 0 40 HGAB Cc1c(C)n(CC(C)C)c2ncn3nc(CN4C(=O)c5ccccc5C4=O)nc3c12 13627504 NWHDRLNIZHZFLI-UHFFFAOYSA-N 402.458 3.148 0 40 HGAB COC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 13765968 UPROUBUGGMPZSI-XYSGSMRZSA-N 424.909 3.062 0 40 HGAB Clc1ccccc1CN1CCO[C@@H](CSc2nnnn2Cc2ccccc2)C1 14094938 OLABRRRKCCAKIT-GOSISDBHSA-N 415.950 3.368 0 40 HGAB O=C(COc1ccccc1C(=O)NC[C@@H]1CCCO1)NC12CC3CC(CC(C3)C1)C2 4512286 STSZZKCKWYPCQT-PQLNIDLTSA-N 412.530 3.059 0 40 HGAB CCOC(=O)c1sc2[nH]c(/C=C/c3cc(OC)c(O)c(OC)c3)nc(=O)c2c1C 6651884 KQKXKDDOEXIDGH-VOTSOKGWSA-N 416.455 3.363 0 40 HGAB CC[C@@H](C)NC(=O)CCc1nnc2n(CCc3ccccc3)c(=O)c3ccccc3n12 6803102 ITWGSAXLLCVCHU-QGZVFWFLSA-N 417.513 3.134 0 40 HGAB CCOc1ccccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 4942601 MLSRDZACOIGNJY-CQSZACIVSA-N 416.861 3.274 0 40 HGAB COC(=O)c1cc(Br)ccc1S(=O)(=O)N1CCCc2ccccc21 7385847 PDTXKEFYNLCDDQ-UHFFFAOYSA-N 410.289 3.377 0 40 HGAB NC(=O)CNC(=O)c1ccc(NC(=O)[C@H](Sc2ccccc2)c2ccccc2)cc1 60279183 KTIRBWWMEZHLCH-OAQYLSRUSA-N 419.506 3.374 0 40 HGAB O=C(CN(C[C@@H]1CCCO1)c1nc(-c2cccnc2)nc2ccccc12)N1CCCC1 89866718 SXGGSCFSVGADIA-IBGZPJMESA-N 417.513 3.300 0 40 HGAB Cc1cc(C)n2nc(CCCOC(=O)Cc3cc(Br)ccc3F)nc2n1 97141477 PUNFRSLFPMCJPG-UHFFFAOYSA-N 421.270 3.361 0 40 HGAB O=C(NCc1ccccc1)NC1(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)CCCC1 84539223 PKYKLNWTWLLCQH-QFIPXVFZSA-N 420.557 3.189 0 40 HGAB CC(C)(C)c1cc(NC(=O)CN2CCN(Cc3nc4ccccc4s3)CC2)on1 95347390 QDMYYFLGHJYRAU-UHFFFAOYSA-N 413.547 3.338 0 40 HGAB CCOC(=O)c1c(NC(=O)CNc2ccccc2Cl)sc(C(=O)NC)c1C 9954788 ZDKCBFWXPAIIQC-UHFFFAOYSA-N 409.895 3.297 0 40 HGAB CCn1c(SCC(=O)NCc2ccccc2)nnc1-c1cc(OC)cc(OC)c1 408547145 RZKNNDGABTXGOO-UHFFFAOYSA-N 412.515 3.391 0 40 HGAB Cc1cccnc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1N 409175790 UXHDOKCNASLAAW-UHFFFAOYSA-N 409.302 3.400 0 40 HGAB CCOC(=O)C(=O)N1CCC(Cn2c(COc3ccccc3)nc3ccccc32)CC1 38535075 IMEOZUYKFAYGCS-UHFFFAOYSA-N 421.497 3.417 0 40 HGAB COc1cccc(CN2C[C@H]3CCn4c(C(=O)Nc5ccccc5)nnc4[C@@H]3C2)c1 306125157 CICUWIYXMVFZOV-YLJYHZDGSA-N 403.486 3.158 0 40 HGAB CC1=CC[C@@H]2C(=O)N(c3ccccc3C(=O)Nc3cccc(C(=O)O)c3)C(=O)[C@@H]2C1 408686788 SXMPHKCHDHPZAQ-FUHWJXTLSA-N 404.422 3.483 0 40 HGAB CC(=O)CCCC(=O)N1CCC[C@@H](c2cc(C(F)(F)F)c3c(=O)[nH]c(C)nc3n2)C1 72383475 GUPLKLQIZSMHGT-CYBMUJFWSA-N 424.423 3.111 0 40 HGAB CCOc1ccc(CNC(=O)c2cn(-c3cc(-c4nc(CC)no4)ccn3)cn2)cc1 71768518 JVTSSQXVTBFTGO-UHFFFAOYSA-N 418.457 3.208 0 40 HGAB O=C(NCCCSc1ccccc1)[C@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1 31553365 STULBKCWGKWDSE-MOPGFXCFSA-N 418.559 3.267 0 40 HGAB Cc1ccc(SCCNC(=O)[C@H](C)N(c2cccc(C)c2)S(C)(=O)=O)cc1 220121616 VLPKTAWIOCRQJB-KRWDZBQOSA-N 406.573 3.366 0 40 HGAB CS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)c1ccccc1)Cc1ccccc1 225188229 AXFNHPZHSOVKFR-UHFFFAOYSA-N 422.506 3.318 0 40 HGAB CCOc1ccc(C(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)cc1COC 224690384 XAIPIEQWVJSPDX-UHFFFAOYSA-N 401.415 3.057 0 40 HGAB CCc1cc(Br)cc(C)c1NC(=O)[C@H]1CCCN(S(=O)(=O)CC)C1 226048354 NLEGOMXGFJCDEI-AWEZNQCLSA-N 417.369 3.320 0 40 HGAB Cc1cc(NCN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@@H]45)[C@H]3C2=O)cc(C)c1Br 226388925 ADAGSCDZPVUSQZ-IKIFYQGPSA-N 401.304 3.488 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCN(c3ccnc(C(F)(F)F)c3)CC2)cc1 573825624 QWKGCKANXSHOTG-UHFFFAOYSA-N 415.437 3.010 0 40 HGAB CCc1ccc(N([C@@H](C)C(=O)NCCOc2cccc(C)c2C)S(C)(=O)=O)cc1 223953960 UIRPGXJVTYZGJK-SFHVURJKSA-N 418.559 3.216 0 40 HGAB CC(=O)N(Cc1ccc(F)cc1)[C@@H](Cc1ccccc1)C(=O)NCc1ccncc1 223191512 DFCGUDISVNOWQM-QHCPKHFHSA-N 405.473 3.497 0 40 HGAB C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1onc(-c2cccnc2)c1C(=O)O 96297050 YJRAYFNTIXZOSF-SNVBAGLBSA-N 407.835 3.128 0 40 HGAB biogenic,in-vitro COCc1ccc(C(=O)N2CCC(c3cncc(Nc4ncccn4)n3)CC2)cc1 257241193 HXAVZUHTOLREHN-UHFFFAOYSA-N 404.474 3.176 0 40 HGAB Cn1cc(CN2CC[C@@H](c3ccnc(Nc4cc(C(F)(F)F)ccn4)n3)C2)cn1 257300429 RUFGKEIRGHNZKP-CQSZACIVSA-N 403.412 3.357 0 40 HGAB O=C(N1CCOC[C@@H](Cc2ccc3nccn3n2)C1)C1(c2ccccc2)CCCC1 257234851 GVIZEHCRYHSPBE-IBGZPJMESA-N 404.514 3.259 0 40 HGAB Cc1ccc(CNC(=O)NCc2ccc(C)nc2N2CCCC2)c(N2CCCC2)n1 679657185 VMPAUSSQWFQKQP-UHFFFAOYSA-N 408.550 3.293 0 40 HGAB O=C(CN1CCN(c2cccc(C(F)(F)F)c2)CC1)N[C@H]1CCOc2ccccc21 58369855 KLCXFQDVIAJPLQ-IBGZPJMESA-N 419.447 3.467 0 40 HGAB CCc1c(C)sc2ncn([C@H]3CCCN(C(=O)c4n[nH]c5c4CCC5)C3)c(=O)c12 72347749 MRDJUOSKXZHPDX-ZDUSSCGKSA-N 411.531 3.018 0 40 HGAB CCOC(=O)c1ccc(NC(=O)c2cccc(N3CCCCS3(=O)=O)c2)cc1 5099849 YPCHGBRPPHLBOV-UHFFFAOYSA-N 402.472 3.046 0 40 HGAB Cc1csc(SCC(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)n1 5101617 OZSYLSFUBWKADU-UHFFFAOYSA-N 411.574 3.357 0 40 HGAB CC[C@H](C)NC(=O)CN1C(=O)[C@@H](CC)Oc2ccc(C(=O)c3cccs3)cc21 12242021 OHGUNZIVYYCIOD-XJKSGUPXSA-N 400.500 3.398 0 40 HGAB Cc1ccc2c(c1)cc(CN(Cc1cccs1)C(=O)N1CCOCC1)c1nnnn12 12493283 RMLAECIQULBTOF-UHFFFAOYSA-N 422.514 3.102 0 40 HGAB CC(C)(C)OC(=O)N[C@@H](CC(=O)O)[C@H]1CCCN(C(=O)OCc2ccccc2)C1 12648390 AMYNHEBCBXEIAG-IRXDYDNUSA-N 406.479 3.403 0 40 HGAB COc1ccc(C)cc1N1C[C@H](C(=O)O[C@H](C)C(=O)N(C)C2CCCCC2)CC1=O 12804023 PFBILDULXJYONO-IAGOWNOFSA-N 416.518 3.079 0 40 HGAB COc1ccc(NC(=O)COc2cccc3ccccc23)cc1S(=O)(=O)N(C)C 12854679 AEAHJXHAFRYSDY-UHFFFAOYSA-N 414.483 3.116 0 40 HGAB CCN(CC)C(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1 13679838 OKGCHDGVBCIBMJ-CQSZACIVSA-N 407.363 3.404 0 40 HGAB Cc1cc(-c2cccs2)nc([C@H]2CCCN(C(=O)c3cnc(N(C)C)nc3)C2)n1 19117880 CBGSNIQCFKXLTN-HNNXBMFYSA-N 408.531 3.389 0 40 HGAB Cc1c(C)n(C)c2ccc(C(=O)N3CCO[C@H](c4nc(-c5ccccn5)no4)C3)cc12 19554610 JPYHQFQPHZABGY-FQEVSTJZSA-N 417.469 3.454 0 40 HGAB Cc1nn(C)cc1-c1cc(C(=O)NC[C@H](c2ccc(F)cc2)N2CCCCC2)n[nH]1 19665298 PUBGIHKWGFBGFZ-OAQYLSRUSA-N 410.497 3.215 0 40 HGAB CCn1ccc(C(=O)N2CCC[C@H](NC(=O)c3ccc(C(F)(F)F)nc3C)CC2)n1 19749418 LQKIYOSQWOHFFJ-AWEZNQCLSA-N 423.439 3.050 0 40 HGAB Cc1cc(C)n2nc(S[C@H]3CCCCN(C(=O)c4ccc(F)cc4)C3=O)nc2n1 2631540 SMVNGSKFQQCMEY-INIZCTEOSA-N 413.478 3.194 0 40 HGAB CC1(C)C(=O)Nc2ccccc2N1C(=O)COC(=O)CSc1ccc(F)cc1 6942667 JTCYCCXUMJSCEZ-UHFFFAOYSA-N 402.447 3.225 0 40 HGAB O=C(c1cccc(S(=O)(=O)NCc2cccs2)c1)N1CCc2ccccc2C1 28651910 OZVQROHGBOTEFJ-UHFFFAOYSA-N 412.536 3.425 0 40 HGAB O=C(NCc1ccco1)C(=O)Nc1c2c(nn1-c1ccc(Cl)cc1)CSC2 4941772 NXQQCJAYNNDJDD-UHFFFAOYSA-N 402.863 3.120 0 40 HGAB COc1ccc(OC)c(S(=O)(=O)Nc2ccc(N3CCCCC3=O)c(C)c2)c1 5329845 HNZDYSYEQSOUCJ-UHFFFAOYSA-N 404.488 3.330 0 40 HGAB O=S(=O)(NCCOc1ccc(-c2ccc(F)cc2)nn1)c1ccc(Cl)s1 9852927 YALOZHCHVHPQSA-UHFFFAOYSA-N 413.883 3.355 0 40 HGAB O=S(=O)(NCC[C@@H](CCO)c1ccsc1)c1ccccc1Br 575607801 PAEQQNRFNZOJEV-LBPRGKRZSA-N 404.351 3.345 0 40 HGAB CCN1CCN([C@@H](c2cccs2)[C@@H](C)NS(=O)(=O)c2ccc(C)cc2)CC1 22460423 MWEJUUKVXXTAEO-YLJYHZDGSA-N 407.605 3.102 0 40 HGAB Cc1cccc(N2CCN(C(=O)Nc3cccc(-c4nnnn4C4CC4)c3)CC2)c1 40104377 AXGKTMJUGTZIAC-UHFFFAOYSA-N 403.490 3.338 0 40 HGAB COc1ccc(OC)c([C@H](C)NC(=O)CCNC(=O)c2ccc(F)cc2Cl)c1 40131410 IDBLUBPXGHGOBG-LBPRGKRZSA-N 408.857 3.494 0 40 HGAB C[C@H]1Oc2ccccc2N(CC(=O)N(C)[C@@H](c2ccccc2)c2ccccn2)C1=O 40134808 KWKMBBMOSIVAFB-HXOBKFHXSA-N 401.466 3.444 0 40 HGAB COc1ccc(NC(=O)[C@@H]2CC(=O)Nc3c(-c4ccccc4OC)cnn32)c(OC)c1 32096777 RQSFQWDGEFLJKK-KRWDZBQOSA-N 422.441 3.098 0 40 HGAB CC(=O)N1CCC2(CC1)CC(=O)c1ccc(OCC(=O)Nc3ccccc3)cc1O2 20719197 DCWKZQCAPLEYTE-UHFFFAOYSA-N 408.454 3.050 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc3c(c2)OCCO3)c1 3478798 PCOQMOBGILTXRI-UHFFFAOYSA-N 424.906 3.394 0 40 HGAB O=C(COC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2)Nc1ccccc1Cl 4328071 GIKNHHLMHBZXJJ-UHFFFAOYSA-N 404.894 3.154 0 40 HGAB Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)OC(=O)Cc1c[nH]c2ccccc12 21330902 WFTPWSHHMUQXGH-INIZCTEOSA-N 407.470 3.014 0 40 HGAB CCOc1ccc(C(=O)NC(=S)Nc2sc3c(c2C(N)=O)CC[C@H](C)C3)cc1 6656765 UCAWBIQQGAYHHV-NSHDSACASA-N 417.556 3.497 0 40 HGAB Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)N(C)c3ccccc3C)s2)cc1 6818312 LJGOYIDGXQUTET-UHFFFAOYSA-N 402.501 3.232 0 40 HGAB C[C@H](c1ccccc1)N1C[C@H](C(=O)OCC(=O)Nc2cccc(Cl)c2)CC1=O 7232398 VKCRKRFBZPDDJF-GDBMZVCRSA-N 400.862 3.431 0 40 HGAB Cc1c(CC(=O)NC[C@H]2CC[C@H](C(=O)O)CC2)c(=O)oc2cc(O)c(Cl)cc12 100763577 RQVGNTTVCVTBNI-TXEJJXNPSA-N 407.850 3.010 0 40 HGAB CCCc1nnc(S)n1CC(=O)N[C@@H](C)c1cnn(-c2ccc(F)cc2)c1C 32827857 ULQMXEAKYIEPIA-LBPRGKRZSA-N 402.499 3.030 0 40 HGAB CN(Cc1ccccc1F)C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 8026724 LZMFXDVHODVGRK-INIZCTEOSA-N 408.470 3.024 0 40 HGAB CCCC[C@@H](C(=O)OCC(=O)Nc1ccccc1C)N1C(=O)c2ccccc2C1=O 8411273 PARIHVLZEWTNAG-IBGZPJMESA-N 408.454 3.332 0 40 HGAB COc1ccc(C2=NO[C@H]3C(=O)N(c4ccc5ccccc5c4)C(=O)[C@@H]23)cc1OC 102886367 FKCWRXQHFQSHKJ-PZJWPPBQSA-N 402.406 3.150 0 40 HGAB Cc1ccc(S(=O)(=O)N(CC(=O)N2CCOCC2)c2ccc(C)c(Cl)c2)cc1 654189 SUYGYSGVWQSVSB-UHFFFAOYSA-N 422.934 3.011 0 40 HGAB COc1ccc(OC)c(/N=c2\oc3cc(O)ccc3cc2C(=O)NC[C@H]2CCCO2)c1 876860 PZSPKPANSFHPDA-NPPSCJOGSA-N 424.453 3.297 0 40 HGAB O=C1C[C@@H](C(=O)N2CCN(Cc3ccccc3)CC2)CN1Cc1ccccc1Cl 12567891 ARXBJKFMDMVUSN-HXUWFJFHSA-N 411.933 3.033 0 40 HGAB O=C1[C@@H]2[C@H](C(=O)N1c1ccc(Cl)c(F)c1)[C@@H](c1ccc(F)cc1)N1CCCN21 100876362 WNFVFUSZNAITIF-KURKYZTESA-N 403.816 3.154 0 40 HGAB O=C1C[C@@H](N2CCN(Cc3ccccc3)CC2)C(=O)N1c1cccc(Cl)c1Cl 27791975 MWALJNGLAZDONW-GOSISDBHSA-N 418.324 3.443 0 40 HGAB COc1ccc(N(CCC(N)=O)C(=O)CSc2nc3ccc(Cl)cc3[nH]2)cc1 12547551 CZKRGHMODDDQON-UHFFFAOYSA-N 418.906 3.226 0 40 HGAB Cc1nc(CSc2nnc3n(-c4ccccc4C)c(=O)c4ccccc4n23)no1 12552917 YDYCPUCLAXOLPK-UHFFFAOYSA-N 404.455 3.326 0 40 HGAB Cc1cccc(N2CCN(C(=O)[C@@H]3CC(=O)N(c4ccc(F)c(Cl)c4)C3)CC2)c1 57416591 RUURYVOQDZYMFD-MRXNPFEDSA-N 415.896 3.489 0 40 HGAB COc1ccc(S(=O)(=O)NCCCc2ccc(Cl)cc2)cc1N1CCCC1=O 20488772 XJTYHEULBRFPNV-UHFFFAOYSA-N 422.934 3.387 0 40 HGAB CCCc1cc(=O)oc2c(C)c(O[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)O)ccc12 2099137 YNEXZIKRUMLSIL-YOEHRIQHSA-N 403.475 3.437 0 40 HGAB biogenic CSCC[C@@H](NC(=O)c1ccc2ccccc2n1)C(=O)NCc1nc(C)cs1 58085008 GOTHADLLVSGOFE-QGZVFWFLSA-N 414.556 3.168 0 40 HGAB CC(=O)c1c(C)[nH]c(C(=O)COC(=O)[C@@H](NC(=O)c2ccco2)c2ccccc2)c1C 27495366 GUTLPAXUXCXBRS-NRFANRHFSA-N 422.437 3.324 0 40 HGAB CCOc1ccc(-c2nc(C(=O)NC(C)(C)c3noc(CN(C)C)n3)cs2)cc1 58157962 BDWQPHQEYUNLGT-UHFFFAOYSA-N 415.519 3.319 0 40 HGAB CCOC(=O)c1ccc(NC(=O)CN(c2ccccc2C)S(C)(=O)=O)c(Cl)c1 20484437 RMYVKKHSPKDUGV-UHFFFAOYSA-N 424.906 3.230 0 40 HGAB O=C(NC1CCN(C(=O)CCc2nc(-c3ccc(F)cc3)no2)CC1)c1ccccc1 10782670 INBBKDKHAREWTD-UHFFFAOYSA-N 422.460 3.229 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2cccc(C)c2C(=O)OC)cc1 11058327 IXTCQGUEPAZWNU-UHFFFAOYSA-N 404.488 3.064 0 40 HGAB CN(C(=O)COC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)C1CCCCC1 3373349 AXDDIMCBQHZMSN-UHFFFAOYSA-N 424.453 3.024 0 40 HGAB Cc1ccc(Cl)cc1NC(=O)[C@H](C)Sc1nnc(C2CC2)n1CCC(N)=O 12769100 NGDLWXVYEYAWGB-NSHDSACASA-N 407.927 3.112 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3c(C)[nH]c4ccccc34)CC2)c(C)c1 12795792 INVAQDIBHNRBJV-UHFFFAOYSA-N 411.527 3.240 0 40 HGAB Cc1cc(NC(=O)Cn2cc(Br)ccc2=O)ccc1Br 12883580 PPMYOIRXECELHY-UHFFFAOYSA-N 400.070 3.320 0 40 HGAB CCOc1ccc(C(=O)[C@H](C)OC(=O)c2cccc(N3CCCS3(=O)=O)c2)cc1 12891050 WQVVKPXPBCIXEX-HNNXBMFYSA-N 417.483 3.053 0 40 HGAB CCCNC(=O)CSc1nnc(SCC(=O)N[C@H](C)c2ccccc2C)s1 12867938 NAJOFHNAWMJQSB-CYBMUJFWSA-N 424.617 3.434 0 40 HGAB CCN(CC(=O)Nc1ccc(OC)cc1)S(=O)(=O)c1ccccc1C(F)(F)F 3411297 DBNSNDRLMKXDOI-UHFFFAOYSA-N 416.421 3.363 0 40 HGAB CC[C@H](C)n1c(SCC(=O)NC(=O)NC2CCCC2)nc2ccccc2c1=O 3518471 AQCBMEKHQBTNHF-ZDUSSCGKSA-N 402.520 3.228 0 40 HGAB COc1ccc(OC)c([C@H](C)NS(=O)(=O)c2ccc3c(c2)CCCN3C(C)=O)c1 12946612 OCGJWKYHVDPJMW-AWEZNQCLSA-N 418.515 3.042 0 40 HGAB CNC(=O)[C@@H]1CN(C(=O)c2cc(Cl)ccc2Br)c2ccccc2O1 12983457 DRUBBZFRYOHIFA-HNNXBMFYSA-N 409.667 3.256 0 40 HGAB COc1ccc(CNC(=O)Cn2c(C(F)(F)F)nc3cc4c(cc32)OCCO4)cc1 64814371 FELUTACSHAGCOG-UHFFFAOYSA-N 421.375 3.151 0 40 HGAB CCOC(=O)/C=C1\SCC(=O)N1CC(=O)c1cc(C)n(Cc2cccs2)c1C 6220022 RTVLNAAHLDAYKD-OCKHKDLRSA-N 418.540 3.377 0 40 HGAB COc1ccc(Br)cc1CN(C)Cn1c(NCCO)nc2ccccc21 5267080 PWBCMMGZNQUUCL-UHFFFAOYSA-N 419.323 3.301 0 40 HGAB Cc1ccc(C)c(NC(=O)CSc2ccc(S(=O)(=O)N3CCCC3)cn2)c1 5261658 VGBHGHKPVYXOOV-UHFFFAOYSA-N 405.545 3.214 0 40 HGAB O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)Nc1ccc(Cl)c(Cl)c1 8890437 GYSWQFPRRZVKCW-IBGZPJMESA-N 404.253 3.325 0 40 HGAB COC(=O)CSc1nc2ccc(NC(=O)[C@H]3CCCC[C@@H]3C(=O)O)cc2s1 408748941 CVSRGXJEKGBDKU-RYUDHWBXSA-N 408.501 3.391 0 40 HGAB COC(=O)CCNC(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1c1ccc(F)cc1 6760493 XHZRIDORBLYTQN-OAQYLSRUSA-N 416.449 3.063 0 40 HGAB O=C(c1cc(Br)ccc1Cl)N1CCN(C(=O)N2CCCCC2)CC1 14900348 QVSAGCNUJQQWMO-UHFFFAOYSA-N 414.731 3.466 0 40 HGAB CCc1ccccc1NC(=O)Cn1cnc2nc(N3CCC[C@H](C)C3)sc2c1=O 67226106 AKDPYGIYBZJDJW-AWEZNQCLSA-N 411.531 3.290 0 40 HGAB CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C)c1ccc(-n2ccnc2)cc1 7988554 ZIFLTYDBOGEVIP-MWTRTKDXSA-N 415.497 3.278 0 40 HGAB CN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)CSc2nccn2C)cc1 8068197 PMUZVOQXYOWLNC-UHFFFAOYSA-N 422.576 3.104 0 40 HGAB O=C(c1cn(-c2ccccc2)nc1-c1cccnc1)N1CCN(c2ccncc2)CC1 8097934 RPOCRTCRZBRTQM-UHFFFAOYSA-N 410.481 3.292 0 40 HGAB Cc1cc(/C=C/C(=O)N(C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)c(C)n1C1CC1 8272118 WQDITXAFTAWELE-BLMSOEDDSA-N 401.532 3.320 0 40 HGAB Cc1cc(Cl)ccc1NC(=O)CNC(=O)C(=O)Nc1ccc(Br)cc1 408551380 HNCLGWDWXCALBW-UHFFFAOYSA-N 424.682 3.104 0 40 HGAB CCC(=O)c1ccc(OC[C@H](O)CN2CCN(c3ccccc3Cl)CC2)cc1 19832105 VQNHMUVKVPDNBQ-GOSISDBHSA-N 402.922 3.495 0 40 HGAB O=C(Cn1nc(-c2ccccc2)oc1=O)N1CCC[C@@H]1c1nc2ccccc2s1 9516647 HMTZZGABIJAPCV-MRXNPFEDSA-N 406.467 3.477 0 40 HGAB CC(C)NC(=O)[C@@H](C)[C@H]1CC[C@@]2(C)CC[C@H](NC(=O)c3ccncc3)[C@@H](C)[C@@H]2[C@H]1O 20467015 MYTWZHOLJXRBSC-ILRDCQBQSA-N 415.578 3.164 0 40 HGAB biogenic,in-vitro COCCCOc1cccc(CNC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3F)C2)c1 97020867 SSFWWNGZGBHUSU-MRXNPFEDSA-N 418.440 3.049 0 40 HGAB CCCC(=O)N1CCCC[C@@H]1C(=O)N(C)CCC1CCN(c2ccncc2)CC1 95457780 PLMKWKXCCKJDKL-OAQYLSRUSA-N 400.567 3.328 0 40 HGAB CN(Cc1cccc(S(=O)(=O)N2CCOCC2)c1)Cc1c(F)cccc1Cl 95950792 RJJRSTXOKPZHDE-UHFFFAOYSA-N 412.914 3.132 0 40 HGAB COc1ccc(Cn2nnnc2[C@H](CC(C)C)N2CCN(C3CCCC3)CC2)cc1 20141394 XPBHBAUGUJNIHZ-QFIPXVFZSA-N 412.582 3.377 0 40 HGAB c1ccc(CN2CNC3=N[C@@H](c4cccs4)n4c(nc5ccccc54)N3C2)nc1 20676358 OWCQRKOWMZEKEM-LJQANCHMSA-N 401.499 3.236 0 40 HGAB COc1ccccc1N1CCN([C@@H](c2nnnn2Cc2cccs2)C(C)C)CC1 35310990 FZUJCHZMXVJYCZ-HXUWFJFHSA-N 412.563 3.311 0 40 HGAB Cn1c(=O)n(C)c2cc(N3CCCCC3)c(NC(=O)C(Cl)(Cl)Cl)cc21 408529697 HQBBRRQSAQLFOQ-UHFFFAOYSA-N 405.713 3.176 0 40 HGAB O=C(NCc1ccccc1F)c1cc(-c2cccs2)n([C@H]2CCS(=O)(=O)C2)n1 33325354 SGFPGLJRQHEBSB-AWEZNQCLSA-N 419.503 3.040 0 40 HGAB Cc1ccc2c(c1)C(=O)N(CCCC(=O)OCc1noc(-c3cccs3)n1)C2=O 40012677 NIMSNODUSCCNDV-UHFFFAOYSA-N 411.439 3.226 0 40 HGAB O=C1Cc2cc(S(=O)(=O)Nc3cc4c(cc3C(=O)O)CCCC4)c(Cl)cc2N1 509376454 RHBUUPJGPUJLPL-UHFFFAOYSA-N 420.874 3.212 0 40 HGAB CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1nnc(SCC(=O)OC)s1 222557774 YGFDZCUUQCGRGB-SNVBAGLBSA-N 401.897 3.253 0 40 HGAB CCOC(=O)c1ccccc1NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1Cl 222509159 CBTZGXKNAFPMIH-UHFFFAOYSA-N 410.879 3.165 0 40 HGAB CC[C@@H](C(=O)NCCOc1ccccc1)N(c1cccc(Cl)c1)S(C)(=O)=O 224300275 NVJOGXSBTINFFZ-SFHVURJKSA-N 410.923 3.080 0 40 HGAB CC[C@H](NC(=O)[C@H](C)N(c1cccc(OC)c1)S(C)(=O)=O)c1ccc(C)cc1 220183072 RCKXJKAVVPXFJX-JXFKEZNVSA-N 404.532 3.426 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)Nc1ccccc1 224153619 CEAJQXDUONJUNR-UHFFFAOYSA-N 402.516 3.441 0 40 HGAB Cc1c(NS(C)(=O)=O)cccc1C(=O)NCc1ccccc1CN1CCCCC1 224826086 CDKCJKVNYKSVOF-UHFFFAOYSA-N 415.559 3.282 0 40 HGAB COc1ccc(NC(=O)C2(C)COC(c3c(F)c(F)c(F)c(F)c3F)OC2)cn1 225917691 LMWPPTYSPNNYQK-UHFFFAOYSA-N 418.318 3.476 0 40 HGAB O=C(Nc1ccc(F)c(C(F)(F)F)c1)[C@@H]1COCC(=O)N1Cc1cccs1 90608505 GQRFYBDJIUYJIC-AWEZNQCLSA-N 402.369 3.272 0 40 HGAB O=C1C[C@H]([C@H]2CCCN(C(=O)[C@H]3CC(c4ccccc4)=NO3)C2)Oc2ccccc21 247955729 NFDBSWGFXULTAR-JJEOQYAHSA-N 404.466 3.452 0 40 HGAB Cc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)N3C[C@@]4(C)C[C@H]3CC(C)(C)C4)=C2)cc1 253387981 ODWCFJGZMPUGCD-VGSWGCGISA-N 415.559 3.285 0 40 HGAB C[C@H](Cc1ccc2c(c1)OCO2)CN1CCc2c(O)nc(N3CCC[C@@H](C)C3)nc2C1 257309209 TZYYXZFSOYCCLX-IAGOWNOFSA-N 424.545 3.384 0 40 HGAB Cc1cnc(C(=O)NC[C@H]2CC[C@H](c3c(C(N)=O)sc4ncccc43)CC2)cn1 257281727 OQRTVXNCANUSOW-HDJSIYSDSA-N 409.515 3.197 0 40 HGAB COc1ccccc1[C@@H](C)NC(=O)[C@H](C)N(c1cc(C)ccc1C)S(C)(=O)=O 260770309 RVPQQQORKJLALV-SJORKVTESA-N 404.532 3.344 0 40 HGAB Cn1ccnc1[C@H](NC(=O)NCC[C@@](C)(O)c1ccccc1)c1ccc(F)cc1F 1684597935 PMOMFTUFOXKVMG-DENIHFKCSA-N 414.456 3.385 0 40 HGAB O=C(C[C@H]1CN(C(=O)c2cc3ccccc3[nH]2)Cc2ccnn21)NCc1cccs1 585095896 SUAGBMCFFBJZOT-KRWDZBQOSA-N 419.510 3.330 0 40 HGAB Cc1ccc(C(=O)N2CCC3(CC2)CO[C@H](CN(C)[C@H]2CC[C@H](O)CC2)C3)cc1F 585104605 RJTNYKKYGPPIDW-ACRUOGEOSA-N 418.553 3.381 0 40 HGAB COc1ccc(C(=O)O)cc1S(=O)(=O)N(C)c1ccc(Br)cc1F 57014548 COQQIVDATBCMIK-UHFFFAOYSA-N 418.240 3.120 0 40 HGAB O=C(COC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)Nc1ccc(Cl)cc1Cl 5241716 ACNAWHITUPXIDB-LLVKDONJSA-N 411.241 3.117 0 40 HGAB O=C(C[C@H]1OCCN(Cc2ccccc2)C1=O)Nc1ccc(Br)cc1 5773500 YIEVLGXLVZLTJH-QGZVFWFLSA-N 403.276 3.205 0 40 HGAB COc1ccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 11643074 HRLYOCAHSGVWAP-INIZCTEOSA-N 418.515 3.276 0 40 HGAB Cc1nc2ccc(C(=O)N3CCC[C@H](n4nc(-c5ccco5)ccc4=O)C3)cc2[nH]1 12087356 KVTZQMCGYYHXNW-INIZCTEOSA-N 403.442 3.165 0 40 HGAB CCOc1ccc(CC(=O)N2CCC(c3noc(-c4ccc(O)nc4)n3)CC2)cc1 12275719 CFYPJRDQBPSWQQ-UHFFFAOYSA-N 408.458 3.185 0 40 HGAB CSCC[C@@H](NC(=O)COc1ccccc1)C(=O)OCCOc1ccc(F)cc1 12988759 SCTAMTUCDKFUHS-LJQANCHMSA-N 421.490 3.065 0 40 HGAB CCSc1nc(=O)c2c(n1C)NC(=O)C[C@H]2c1cc(Br)ccc1F 13567440 ZEFMOGRQAQXDHN-JTQLQIEISA-N 412.284 3.268 0 40 HGAB CCc1c(C)nc2cc(-c3cc(C)on3)nn2c1N1CCC(O)(c2cccnc2)CC1 19521625 SAEOXWICQJYNOB-UHFFFAOYSA-N 418.501 3.447 0 40 HGAB Cc1nc([C@H]2CCCN(C(=O)c3ccncc3)C2)ncc1C(=O)Nc1ccccc1 19766406 MMBSROJCIBQFCW-SFHVURJKSA-N 401.470 3.452 0 40 HGAB CCOC(=O)[C@@H]1C(=O)N(CCCOC)c2nc3ccccc3n2[C@H]1c1cccc(C)c1 19818388 YPHMUBASGGCFLM-SFTDATJTSA-N 421.497 3.497 0 40 HGAB CN1C(=O)N(CC(=O)NC(c2ccccc2)c2ccccc2)c2cccnc2N1C 12145118 UQZTXHZHZMXINC-UHFFFAOYSA-N 401.470 3.210 0 40 HGAB Cc1nn(C[C@H](C)C(=O)N2CCC(c3cc4nc(C)c(C)c(O)n4n3)CC2)c(C)c1C 12134086 VGJFRUYXIZPHIL-ZDUSSCGKSA-N 424.549 3.216 0 40 HGAB COc1ccc(Br)cc1CN(C)C(=O)C[C@H]1Oc2ccccc2NC1=O 20923109 WPAKNHWVMRZJFZ-QGZVFWFLSA-N 419.275 3.206 0 40 HGAB O=C(CS(=O)(=O)c1ccc(Cl)cc1)NCC1(N2CCCCC2)CCCCC1 30898959 RJVQZSQWUSHMFZ-UHFFFAOYSA-N 412.983 3.419 0 40 HGAB C[C@@H](OC(=O)C(C)(C)Oc1ccc(F)cc1)C(=O)Nc1ccc2c(c1)OCCO2 32672153 GOKDSKPFOLNBQJ-CYBMUJFWSA-N 403.406 3.325 0 40 HGAB C[C@@H](NC(=O)CCCNC(=O)c1ccc(F)cc1F)c1ccc2c(c1)OCCO2 32731314 WCNCSDBLCHBWRB-CYBMUJFWSA-N 404.413 3.123 0 40 HGAB O=C(c1cccc(OCc2ccccc2)c1)N1CC(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)C1 238830622 FVCUHZPAXKZRAQ-FGZHOGPDSA-N 416.477 3.041 0 40 HGAB O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CC(N2CCc3ccccc3C2)C1 245187641 ZRXHKPMVGRTAPA-UHFFFAOYSA-N 412.433 3.016 0 40 HGAB O=C(CSc1nnc2ccc(-c3cccnc3)nn12)NCc1ccc(Cl)cc1 4377013 TVRHTDHNNMMEGJ-UHFFFAOYSA-N 410.890 3.248 0 40 HGAB Cc1ccc(-n2c(=O)c3ccccc3n(CC(=O)NCCC3=CCCCC3)c2=O)cc1 4904877 ZSDBIGBGQCYYJU-UHFFFAOYSA-N 417.509 3.468 0 40 HGAB Cc1nc(NS(=O)(=O)c2ccccc2)sc1C(=O)NCCc1ccccc1 8977754 NUEVDHVEKPVWFR-UHFFFAOYSA-N 401.513 3.225 0 40 HGAB COc1ccc(Cn2c(=O)c3ncccc3n(Cc3cccc(Cl)c3)c2=O)cc1 9660627 WFMDJWVSBUWTBF-UHFFFAOYSA-N 407.857 3.317 0 40 HGAB O=C(NCCOc1ccc2nnc(-c3cccc(F)c3)n2n1)c1cccc(Cl)c1 11693867 RNTIUEWOAMLCMJ-UHFFFAOYSA-N 411.824 3.393 0 40 HGAB O=S(=O)(NCCn1ccn2nc(-c3ccco3)cc12)c1ccc2c(c1)CCCC2 206751402 VCGGNRMPRHGSQE-UHFFFAOYSA-N 410.499 3.253 0 40 HGAB CSc1ccccc1C(=O)N1CCN(C(=O)[C@@H]2C[C@H]2c2ccc3c(c2)OCO3)CC1 42382358 LHDKVFBFIFUNDA-ZWKOTPCHSA-N 424.522 3.225 0 40 HGAB COc1ccc(S(=O)(=O)N2Cc3ccccc3[C@@H](c3cnn(C)c3)C2)cc1Cl 575618082 DRVYWENWQRDLMQ-GOSISDBHSA-N 417.918 3.419 0 40 HGAB COc1ccc2c(C)c(CCC(=O)N[C@@H](Cc3ccccc3)C(=O)O)c(=O)oc2c1C 2107338 HBIBEMCAVWJGOB-IBGZPJMESA-N 423.465 3.163 0 40 HGAB biogenic COc1cc(C(=O)Nc2ccc(F)c(C(N)=O)c2)ccc1OCc1c(C)noc1C 31987402 UIGAREBBLRSCEU-UHFFFAOYSA-N 413.405 3.369 0 40 HGAB Cc1oc2nc[nH]c(=O)c2c1C(=O)NCc1ccc(OCc2cccc(F)c2)cc1 31312748 PYMRWBKJCZMKRQ-UHFFFAOYSA-N 407.401 3.473 0 40 HGAB CCc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1 790937 XZYMKKXXCAUMMI-UHFFFAOYSA-N 411.483 3.462 0 40 HGAB CCCC(=O)N1CCN(c2ccc(NC(=O)c3ccc(OC)c(OC)c3)cc2)CC1 810006 YCJTXXQTFVVFAJ-UHFFFAOYSA-N 411.502 3.405 0 40 HGAB O=C([C@@H]1CC(=O)N(c2ccc(OCc3ccccc3Cl)cc2)C1)N1CCOCC1 1102345 YNZODOVTRMBTAG-QGZVFWFLSA-N 414.889 3.131 0 40 HGAB Cc1cccc(-n2c(N)c(C(=O)NC[C@H]3CCCO3)c3nc4ccccc4nc32)c1 2290971 AZSXGOBVKCQYLT-MRXNPFEDSA-N 401.470 3.373 0 40 HGAB COc1ccc(Cc2nnc(SCC(=O)Nc3c(F)cccc3F)n2C)cc1 2524152 POBNYFJTRJFCNT-UHFFFAOYSA-N 404.442 3.424 0 40 HGAB C[C@@]1(c2ccccc2Cl)NC(=O)N(CC(=O)Nc2ccccc2OC(F)F)C1=O 2644027 JTXPWDISFSCIFP-IBGZPJMESA-N 423.803 3.347 0 40 HGAB Cc1c(C)n(Cc2ccccc2)c2ccc(C(=O)Nc3cnn(C)c3C(N)=O)cc12 2794595 MFHWTARTUHIQSX-UHFFFAOYSA-N 401.470 3.391 0 40 HGAB CC(C)NC(=O)NC(=O)COC(=O)CCN1c2ccccc2Sc2ccccc21 3300707 LHOFMILYUYOJKF-UHFFFAOYSA-N 413.499 3.457 0 40 HGAB CCOC(=O)[C@H]1[C@@H](c2ccc(Cl)c(Cl)c2)[C@@H](C(=O)OCC)C(=O)C[C@]1(C)O 4091286 WJPDDGQMYQUGSP-GGXPGOJBSA-N 417.285 3.159 0 40 HGAB COc1cc2cc(CN(C(=O)c3cnccn3)C3CCCCC3)c(=O)[nH]c2cc1OC 4231122 RFFHUFNQUAOQEE-UHFFFAOYSA-N 422.485 3.310 0 40 HGAB COc1ccc(C)cc1NC(=O)C(=O)NC[C@@H](c1ccco1)N1CCc2ccccc21 4305346 FBQRIIWWSPLYHW-FQEVSTJZSA-N 419.481 3.455 0 40 HGAB C[C@@H](CCc1ccccc1)NC(=O)[C@@H](C)Sc1nnc(-c2cccs2)n1N 4537034 BPMKYVXPMGAZBW-UONOGXRCSA-N 401.561 3.339 0 40 HGAB CC(=O)c1c(Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)oc(C)cc1=O 4708855 DZACHVUHRNGQGG-UHFFFAOYSA-N 405.457 3.152 0 40 HGAB CCCOC(=O)c1cc(NC(=O)COc2ccc(C)cc2)ccc1N1CCOCC1 4711606 OBWFTGFWUWPGLA-UHFFFAOYSA-N 412.486 3.416 0 40 HGAB CCOCCN1CCN(c2c3c(nc4cc(-c5cccc(F)c5)nn24)CCC3)CC1 4966864 UTYXFVGFZATRSU-UHFFFAOYSA-N 409.509 3.183 0 40 HGAB COc1ccc(F)cc1S(=O)(=O)Nc1ccc2c(c1)CCCN2C(=O)C1CC1 5099556 HFZXULWHFZVRKN-UHFFFAOYSA-N 404.463 3.324 0 40 HGAB CC(C)(C)OC(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O 5246886 IIBPKUIVIDQZIS-PMACEKPBSA-N 424.497 3.161 0 40 HGAB CCc1ccccc1Nc1nc(N)nc(CSc2nnc(-c3ccco3)n2C)n1 5364007 SCCDDVOFTGJLPS-UHFFFAOYSA-N 408.491 3.441 0 40 HGAB CCc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)cc1 5699951 YMLNGCHYJFUWAF-UHFFFAOYSA-N 408.907 3.176 0 40 HGAB CCN(CC)C(=O)CSc1nc2cc(Cl)ccc2c(=O)n1C[C@@H]1CCCO1 6881475 UERMTNUIRBCNIP-AWEZNQCLSA-N 409.939 3.189 0 40 HGAB COc1ccc(CN(C)Cc2nc(N)nc(Nc3ccccc3C)n2)c(OC)c1OC 6913031 HBYOGLYIHOQAAJ-UHFFFAOYSA-N 424.505 3.164 0 40 HGAB CCn1c(S[C@H](C)C(=O)c2ccc(F)cc2)nc2cc(S(N)(=O)=O)ccc21 6977137 ORKCBYNAQAEOST-LLVKDONJSA-N 407.492 3.206 0 40 HGAB CC[C@H](c1nnc(SCC(=O)NCC(F)(F)F)n1Cc1ccccc1)N(C)C 7158873 HJDHLCWGDXUFQP-CQSZACIVSA-N 415.485 3.110 0 40 HGAB CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](C)N(C)Cc2cccc(Cl)c2)cc1 8225715 DSLSAPBUCXWOIH-HNNXBMFYSA-N 423.966 3.486 0 40 HGAB O=C(Cc1ccc(-c2ccccc2)cc1)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 8324110 GBNAANSNPXGVDK-VXKWHMMOSA-N 413.539 3.091 0 40 HGAB Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c(C)n1C(C)C 8379718 KKRGVJDLRINVPQ-UHFFFAOYSA-N 423.966 3.486 0 40 HGAB COc1ccc(CCNC(=O)CC[C@@H]2N=C(O)N([C@@H](C)c3ccccc3)C2=O)cc1 8765256 ZODZSWWMELADRT-JXFKEZNVSA-N 409.486 3.020 0 40 HGAB biogenic COc1ccc(C(=O)Nc2nc3c(s2)CC[C@@H]3C(=O)NCc2ccncc2)cc1 8979850 AMXRNPWGEZKHNK-INIZCTEOSA-N 408.483 3.145 0 40 HGAB CCOc1ccc(N2C[C@H](CNS(=O)(=O)c3cccc(Cl)c3)CC2=O)cc1 9036137 JWDWLKCBLMKALI-AWEZNQCLSA-N 408.907 3.070 0 40 HGAB Cc1nnsc1C(=O)Nc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 9250912 QOYKZNPZEMFEKN-UHFFFAOYSA-N 414.512 3.240 0 40 HGAB Cc1cc(NC(=O)c2cc(-c3ccccc3F)no2)nn1CC(=O)NCc1ccco1 9432321 FNJXSULWSIUXRE-UHFFFAOYSA-N 423.404 3.147 0 40 HGAB CC(=O)N1C[C@H](C(=O)Nc2nn3cc(-c4ccccc4)nc3s2)Oc2ccccc21 9670212 LLYZELDFIPFHJZ-GOSISDBHSA-N 419.466 3.210 0 40 HGAB COc1cccc2cc(C(=O)Nc3nnc(Cc4ccc5c(c4)OCCO5)o3)oc12 9813691 AKNSINURIHWMKK-UHFFFAOYSA-N 407.382 3.439 0 40 HGAB CNc1nc(N2CCN(c3ccccc3)CC2)nc2c1C(=O)C[C@H](c1ccco1)C2 9937759 OKHFHJLUINMNQK-MRXNPFEDSA-N 403.486 3.351 0 40 HGAB CS(=O)(=O)c1ccc(F)c(NC(=O)C2CCN(c3nc4ccccc4o3)CC2)c1 10123736 CQBJZTKACSDIDD-UHFFFAOYSA-N 417.462 3.226 0 40 HGAB Cc1oc2cc(OCC(=O)NCCCC(=O)O)ccc2c(=O)c1Oc1ccccc1 11865713 HTIPTGBRBIAAMM-UHFFFAOYSA-N 411.410 3.254 0 40 HGAB Cc1nnnn1-c1ccc(CC(=O)N2CCCC[C@H]2c2nc3ccccc3[nH]2)cc1 12116152 IGCXJFBVPAQUMH-FQEVSTJZSA-N 401.474 3.143 0 40 HGAB CCc1c(C)nc2cc([C@H]3CCCN(C(=O)CCc4c(C)noc4C)C3)nn2c1O 12134726 WSNJHYQLAYIYSU-INIZCTEOSA-N 411.506 3.249 0 40 HGAB COc1ncc(C2(O)C[C@@H]3CC[C@H](C2)N3Cc2ccc(SC)cc2)c(OC)n1 12156013 ZFZNUNWJEGBJOI-GWTOYCKXSA-N 401.532 3.230 0 40 HGAB CC(=O)c1ccc(NC(=O)CCNC(=O)N2CCc3c([nH]c4ccccc34)C2)cc1 12296789 ABIFTEZWXLYPCP-UHFFFAOYSA-N 404.470 3.467 0 40 HGAB biogenic CCc1nnc(NC(=O)CSc2nc3sc4c(c3c(=O)[nH]2)CC[C@@H](C)C4)s1 12494132 PAZPOOWYUKCHSC-MRVPVSSYSA-N 421.573 3.254 0 40 HGAB COc1ccc(C)cc1NC(=O)CNC(=O)CNc1cccc(OC2CCCC2)c1 12523251 MXAXIIIKVAJMNE-UHFFFAOYSA-N 411.502 3.492 0 40 HGAB CCn1c(=O)c(=O)[nH]c2cc(C(=O)N3CCCCC[C@@H]3c3ccc(OC)cc3)ccc21 12793865 UMCHJFXLIWSMIJ-HXUWFJFHSA-N 421.497 3.476 0 40 HGAB O=C(c1ccc(OC(F)F)cc1)N1CCN(Cc2nc(-c3cccs3)no2)CC1 12889021 QDPRZZXLFLLOLN-UHFFFAOYSA-N 420.441 3.358 0 40 HGAB CO[C@H]1CCC[C@@H](C(=O)N2CCC(c3nnc(O)cc3-c3cc(C)no3)CC2)C1 13226264 GDCIHGKEWGNSBC-CVEARBPZSA-N 400.479 3.057 0 40 HGAB COc1ccc(N(CCCC(=O)N2CCC(C)CC2)S(C)(=O)=O)cc1Cl 13681270 QFOBDUSKROWZSD-UHFFFAOYSA-N 402.944 3.153 0 40 HGAB CC[C@H](C(=O)NCCSCc1ccco1)N(c1ccc(C)c(C)c1)S(C)(=O)=O 13716452 OWNFYYKYFCKNMH-LJQANCHMSA-N 424.588 3.491 0 40 HGAB C[C@H](SCc1ccc(Br)cc1)C(=O)Nc1nc(CC(N)=O)cs1 14200690 AAKPBUZYHNPBGT-VIFPVBQESA-N 414.350 3.194 0 40 HGAB O=C(CN1CCN(C(=O)c2cc3ccc(F)cc3s2)CC1)N1CCCCCC1 14237710 DVHWHKIFHJTSKB-UHFFFAOYSA-N 403.523 3.201 0 40 HGAB CC(C)c1ccc(-n2c(=O)[nH]c(O)c([C@@H]3NCCc4c3[nH]c3ccccc43)c2=O)cc1 17196754 KYNGBOGEFWBECF-NRFANRHFSA-N 416.481 3.071 0 40 HGAB biogenic C[C@@H](NC(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN12)c1ccc(F)cc1F 18015880 CQBPKZVOPUMDBU-SNVBAGLBSA-N 423.466 3.067 0 40 HGAB Cc1cc(C(F)(F)F)nn1CC(=O)NCc1nnc(-c2nccc3ccccc23)o1 19119263 WLSUEKSUDJCEHO-UHFFFAOYSA-N 416.363 3.125 0 40 HGAB Cc1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H]([C@H]1CCCN(C(=O)COc3cccnc3)C1)N2 19127968 GBNVYANUKTXOCL-BHYGNILZSA-N 423.439 3.192 0 40 HGAB O=C(c1n[nH]c2c1CCCC2)N1CCC(Cc2nc(-c3ccsc3)cc(=O)[nH]2)CC1 19406716 ZKAYDNVHSVZINR-UHFFFAOYSA-N 423.542 3.195 0 40 HGAB CCOC(=O)[C@@]1(C)N[C@@H](c2ccccc2C)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]21 19529695 KIGAHMOFTZZRJP-VKDGWMQASA-N 406.482 3.075 0 40 HGAB Cc1n[nH]cc1C(=O)N1CCC(c2nc(NC3CC3)ncc2-c2ccncc2)CC1 19582299 CYAHQACJRGAVFT-UHFFFAOYSA-N 403.490 3.164 0 40 HGAB CN(C)c1ccc2cc(C(=O)N3CCN(c4nnc(C(F)(F)F)s4)CC3)[nH]c2c1 19585015 AXMGXNJNVJBLPH-UHFFFAOYSA-N 424.452 3.067 0 40 HGAB COc1cccc(CCN2C(=O)CCc3c(C)nc(CN(C)C(=O)CC(C)C)nc32)c1 19698626 YYWYJHZRZUJZQQ-UHFFFAOYSA-N 424.545 3.320 0 40 HGAB COc1cccc(C(=O)NC(NC[C@H]2CCCO2)(C(F)(F)F)C(F)(F)F)c1 19944660 DWJAFDDYXMIRPT-GFCCVEGCSA-N 400.319 3.015 0 40 HGAB O=c1c2ccccc2nc(SCc2nc(-c3ccsc3)no2)n1CCCO 21605251 NPVJSIVIFWKOHV-UHFFFAOYSA-N 400.485 3.183 0 40 HGAB O=c1[nH]c(=O)n(C2CC2)c2nc(C3CC3)nc(SCc3cc(-c4ccco4)on3)c12 22419074 IKFMNTMYYDTNEO-UHFFFAOYSA-N 423.454 3.232 0 40 HGAB COc1ccc(S(=O)(=O)N(Cc2cccnc2)Cc2ccco2)cc1NC(C)=O 22834361 IVBRRVQTDDIKRZ-UHFFFAOYSA-N 415.471 3.033 0 40 HGAB COc1ccc([C@H]2CCCN2S(=O)(=O)CCn2cnc3ccccc32)cc1OC 26233144 QZCGXVWNGAGPMB-GOSISDBHSA-N 415.515 3.220 0 40 HGAB CSc1ncc(C(=O)OCc2nnnn2-c2ccccc2)n1-c1ccc(F)cc1 26488710 MMNANKGXPQPYHP-UHFFFAOYSA-N 410.434 3.066 0 40 HGAB O=C(CCn1ccnc1)Nc1cccc(NC(=O)c2cnn(-c3ccccc3)c2)c1 32935335 SEYKDJIXIHXBFO-UHFFFAOYSA-N 400.442 3.350 0 40 HGAB Cc1ccc(-c2cc(C(=O)NCc3ccco3)nn2[C@H]2CCS(=O)(=O)C2)cc1C 33325692 HSJUOXOZEBUVDL-KRWDZBQOSA-N 413.499 3.050 0 40 HGAB Cc1ccccc1N(CC(=O)NCCOc1ccccc1)S(=O)(=O)c1ccccc1 34781417 LZOUJKNOZRHCNB-UHFFFAOYSA-N 424.522 3.386 0 40 HGAB C[C@H]1CCC[C@@H](C)N1S(=O)(=O)c1ccc(NC(=O)CN2CCC[C@@H](C)C2)cc1 35313654 KBGUYTKESWMCLC-KURKYZTESA-N 407.580 3.309 0 40 HGAB NC(=O)c1c(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)sc2c1CCc1ccccc1-2 35897869 UCSAXWWURHOFEE-KNPMLCFXSA-N 408.479 3.074 0 40 HGAB C[C@@H](Nc1ccc2c(c1)OCCCO2)C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 39972156 XRZFOQNQVACSEN-KWJFTMPMSA-N 413.518 3.443 0 40 HGAB O=C(CSc1nnnn1-c1ccccc1)Nc1cc(C2CC2)nn1-c1ccccc1 40057211 KMXQNSYTCRWLCT-UHFFFAOYSA-N 417.498 3.456 0 40 HGAB Cc1ccc(NC(=O)c2cc3cc(Br)ccc3[nH]2)cc1S(N)(=O)=O 40061970 OIGVRMZOIKXXBO-UHFFFAOYSA-N 408.277 3.139 0 40 HGAB C[C@@H]1C[C@H]1C(=O)NCCC(=O)Nc1ccc(Br)cc1Br 40090184 XFWWAWJIKDUXGE-PSASIEDQSA-N 404.102 3.312 0 40 HGAB O=C(Cn1cnc2ccc(F)cc2c1=O)N1CCCc2cc(OC(F)(F)F)ccc21 40090449 FDHNJKSUCFUJRR-UHFFFAOYSA-N 421.350 3.414 0 40 HGAB Cc1ccc(C)c(Oc2ccc(CNC(=O)CN3C(=O)c4ccccc4C3=O)cn2)c1 40107155 WUYOXPPMNGLJJM-UHFFFAOYSA-N 415.449 3.403 0 40 HGAB O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1c(-n2cnnn2)sc2c1CCC2 40286538 LQVWRHXFCBVFGD-UHFFFAOYSA-N 412.906 3.320 0 40 HGAB O=C(NCc1cc(=O)n2nc(-c3ccccc3Cl)sc2n1)c1cccs1 41089877 KLWVEDXEQGVCCX-UHFFFAOYSA-N 402.888 3.463 0 40 HGAB Cc1nc(-c2ccc(CCNC(=O)[C@H]3CS[C@]4(C)CCC(=O)N34)cc2)cs1 48299665 RBCSFBUDSNPSAL-YLJYHZDGSA-N 401.557 3.231 0 40 HGAB C[C@H]1C[C@@H](C)CN(Cc2ccccc2CNC(=O)Cn2ncc3ccccc3c2=O)C1 48342583 GVVFWOHXPSSHQV-KDURUIRLSA-N 418.541 3.191 0 40 HGAB CCOC(=O)c1cc2cc(NC(=O)N3CCN(c4cnccn4)CC3)ccc2s1 48355015 GUPJIKRJYHGCDE-UHFFFAOYSA-N 411.487 3.222 0 40 HGAB CCCn1c(=O)c2sccc2n(CC(=O)Nc2cccc(C(F)(F)F)c2)c1=O 57478785 DVILAJGKXLCHGW-UHFFFAOYSA-N 411.405 3.292 0 40 HGAB Cc1ccc(-n2c(=O)c3sccc3n(CC(=O)N3CCC(C)CC3)c2=O)cc1C 57491018 PRWHCSUZLZMEQZ-UHFFFAOYSA-N 411.527 3.089 0 40 HGAB CCN(C(=O)Cn1nc2cc(-c3ccccc3)nc(C)n2c1=O)c1cccc(C)c1 65196634 GTRPZLWFLZWZJM-UHFFFAOYSA-N 401.470 3.228 0 40 HGAB CCOc1ccccc1C(=O)N1[C@H](C(=O)O)COC12CCN(Cc1ccccc1)CC2 71980692 VZWLQMRAGAWAEA-FQEVSTJZSA-N 424.497 3.003 0 40 HGAB CS(=O)(=O)c1cnc(-c2ccncc2)nc1C1CCN(Cc2ccc(O)cc2)CC1 72335856 CZKBSYULEIOKLD-UHFFFAOYSA-N 424.526 3.027 0 40 HGAB Cc1cc(C)cc(OCCC(=O)Nc2cc(C3CC3)nn2[C@H]2CCS(=O)(=O)C2)c1 78870184 PYHZJDCZYWZTFH-KRWDZBQOSA-N 417.531 3.145 0 40 HGAB Cc1nc2ccc(O)cc2c(=O)n1CC(=O)Nc1ccc2[nH]c(CC(C)C)nc2c1 79484845 FOPIPSVNNMMEJX-UHFFFAOYSA-N 405.458 3.124 0 40 HGAB COC(=O)c1[nH]nc2ccc(NS(=O)(=O)c3ccc4c(cnn4C(C)C)c3)cc12 84633095 PMCMRSGOTPRPJN-UHFFFAOYSA-N 413.459 3.081 0 40 HGAB CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)COc1ccccc1 89267822 RGSLMUHLAIKATD-UHFFFAOYSA-N 418.515 3.277 0 40 HGAB C[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccccc1)OC(=O)c1cnn2cccnc12 95431871 VERWTPYJSOAYQX-YJBOKZPZSA-N 410.474 3.411 0 40 HGAB CCOCCN(Cc1ccc(C(=O)O)o1)C(=O)c1cc(-c2ccc(OC)cc2)n[nH]1 95463885 LGLQAZZIHIBPPP-UHFFFAOYSA-N 413.430 3.055 0 40 HGAB COC(=O)c1ccc(COc2ccc(N3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4C3)cc2)cc1 100391076 XFMPZXUNUMAGRX-USNOLKROSA-N 403.434 3.364 0 40 HGAB Cc1cc(NC(=O)COC(=O)CC23C[C@H]4C[C@@H](CC(Br)(C4)C2)C3)n(C)n1 102550276 GIVZUTMHEFBSOA-CXTCDGGRSA-N 424.339 3.334 0 40 HGAB COc1ccccc1N(CCCC(=O)N[C@@H](C)c1ccccc1C)S(C)(=O)=O 223230472 VHQLLEIFLVFTFA-KRWDZBQOSA-N 404.532 3.427 0 40 HGAB Cc1nc(NC(=S)NC[C@H]2CCCO2)c(Br)cc1Br 223895732 GHVOQUBDNNNSQZ-MRVPVSSYSA-N 409.147 3.380 0 40 HGAB Cc1cccc(OCCNC(=O)CCCN(c2ccc(C)c(C)c2)S(C)(=O)=O)c1 224053865 NYCPQZOLUVNABZ-UHFFFAOYSA-N 418.559 3.353 0 40 HGAB CNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)COc1ccc(Br)cc1 225432596 IRGDKVCWDCIOCA-CYBMUJFWSA-N 423.282 3.130 0 40 HGAB CCCCCC(=O)N1CCC(O)(c2csc(CN3CCC[C@@H]3COC)n2)CC1 225466824 GEXZGAHRUYUOQN-QGZVFWFLSA-N 409.596 3.144 0 40 HGAB biogenic,in-vitro COCCCNC(=S)Nc1nc(N2CCCCC2)cc(N2C[C@@H](C)C[C@@H](C)C2)n1 225900576 RDNRLTDJGQDTHO-CALCHBBNSA-N 420.627 3.272 0 40 HGAB CNc1cc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H]2CCCN2)nc(C2CC2)n1 257343040 ZRFGVPVQNXNKHL-RTBURBONSA-N 404.518 3.029 0 40 HGAB Cc1ccc(-c2ccc3c([C@H]4CN(C(=O)c5cc(C)on5)CCN4C)nnn3c2)cc1 306137409 QVNNRIMCPKUEDN-OAQYLSRUSA-N 416.485 3.130 0 40 HGAB CC(C)CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)NCCC2=CCCCC2)cc1 408588196 CWUMRQURXSBKKU-QGZVFWFLSA-N 408.564 3.395 0 40 HGAB CC1=CC[C@@H]2C(=O)N(c3ccccc3C(=O)Nc3ccc(C(=O)O)cc3)C(=O)[C@@H]2C1 408689107 YHHNPKKFKGOKSJ-FUHWJXTLSA-N 404.422 3.483 0 40 HGAB Cc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(=O)Nc1ccc(Cl)cc1 409390153 JTWNMMCSAAZVIV-UHFFFAOYSA-N 408.907 3.450 0 40 HGAB O=C1CC[C@@]2(C(=O)NC[C@@H](c3ccccc3)c3c[nH]c4ccccc34)SCCN12 515008979 ZZELDPIFIBAFKD-MBSDFSHPSA-N 405.523 3.482 0 40 HGAB CC1(C)C(=O)Nc2cc(C(=O)NCc3cccc(NC(=O)c4ccccn4)c3)ccc21 559143157 UWZWHWXDPXWHJB-UHFFFAOYSA-N 414.465 3.494 0 40 HGAB CC(C)c1noc(C2(NC(=O)[C@H](O)c3cccc(C(F)(F)F)c3)CCOCC2)n1 585114044 ZDJHZDXVRWISAH-CQSZACIVSA-N 413.396 3.067 0 40 HGAB N=C1Nc2nc3cc4c(cc3n2[C@@H](c2c[nH]nc2-c2ccc(F)cc2)N1)OCCCO4 643904219 BAMNMWDJNPUGQJ-IBGZPJMESA-N 419.420 3.224 0 40 HGAB O=C(c1ccc(Br)cc1)N1N=C(c2ccncc2)C[C@@]1(O)C(F)(F)F 871850 JRKGGFFXRAFWCC-OAHLLOKOSA-N 414.181 3.345 0 40 HGAB CCCn1c(=O)c2ccccc2n2c(SCC(=O)N3[C@@H](C)CCC[C@H]3C)nnc12 1331779 MZYXWZQNQSIKPN-GASCZTMLSA-N 413.547 3.336 0 40 HGAB O=C(NCc1ccc2c(c1)OCO2)[C@@H]1CCCN1C(=O)Nc1cccc(Cl)c1 1379826 SIGDTHWTCCWINU-INIZCTEOSA-N 401.850 3.381 0 40 HGAB O=C(Nc1nc(N2C(=O)c3ccccc3C2=O)n(-c2ccccc2)n1)c1ccccc1 2353882 CUAZZICGXJKTOO-UHFFFAOYSA-N 409.405 3.320 0 40 HGAB COc1cc(C(=O)OCC(=O)Nc2ccc(OC(F)F)cc2)cc(OC)c1OC 3322066 RUBFCWYZHHAWQV-UHFFFAOYSA-N 411.357 3.109 0 40 HGAB COc1ccc(CN(C)S(=O)(=O)c2ccc(Br)cc2)c(OC)c1 5120300 LAXZPHLHRYJAFF-UHFFFAOYSA-N 400.294 3.287 0 40 HGAB Cc1ccc(-n2nnnc2SCC(=O)Nc2ccc3c(c2)OCCCO3)cc1C 5171418 BRDXZWOLBHWOHP-UHFFFAOYSA-N 411.487 3.171 0 40 HGAB COc1cc2c(cc1OC)CN(C(=O)CSc1nnc(C3CC3)n1C1CC1)CC2 5231500 FFULPEUFLBKWET-UHFFFAOYSA-N 414.531 3.185 0 40 HGAB Cc1ccc(OCc2nnc(SCC(=O)Nc3ccc4c(c3)CCC4)n2N)c(C)c1 5321079 OCMCGAOPCIRBMJ-UHFFFAOYSA-N 423.542 3.407 0 40 HGAB O=C(CSc1nncn1-c1ccccc1F)Nc1ccccc1C(=O)NC1CC1 6129505 KGAHXTTWNHIEOY-UHFFFAOYSA-N 411.462 3.029 0 40 HGAB O=C(O)[C@H]1CCCC[C@H]1C(=O)Nc1ccc(NC(=O)[C@H]2CCCC[C@H]2C(=O)O)cc1 6251418 IKAOYKBYSTULCQ-FZDBZEDMSA-N 416.474 3.346 0 40 HGAB C[C@@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)NCCc1ccccc1 6416053 BCUZXNCDEBFFSB-GFCCVEGCSA-N 401.315 3.019 0 40 HGAB Cc1ccccc1NS(=O)(=O)c1nnc(NC(=O)CCc2ccccc2)s1 6778394 QZDOQDZLMTYZDF-UHFFFAOYSA-N 402.501 3.219 0 40 HGAB O=C(Cn1[nH]c(=O)c2ccccc2c1=O)Nc1nc(-c2ccccc2Cl)cs1 7138263 IRDGOFGMIRLLEF-UHFFFAOYSA-N 412.858 3.105 0 40 HGAB COc1ccc(C)cc1-n1nnnc1SCC(=O)c1ccc2c(c1)OCCCO2 7183344 UULBWBVMHFMCGC-UHFFFAOYSA-N 412.471 3.116 0 40 HGAB O=C(CN1CCSc2ccccc21)Nc1cccc(S(=O)(=O)N2CCCC2)c1 7493329 PDNVZKOVWOWWLS-UHFFFAOYSA-N 417.556 3.022 0 40 HGAB CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@H]2COc3ccc(Cl)cc3C2)cc1 7966295 PXSBEJQBJJNYGH-CQSZACIVSA-N 408.907 3.217 0 40 HGAB CCOc1cc(CNCc2ccc(F)cc2)cc(Br)c1OCC(N)=O 8253732 YWKGGPKSLJHVCR-UHFFFAOYSA-N 411.271 3.141 0 40 HGAB Cc1ccc(Cn2nc(C)c3cc(C(=O)N(C)[C@@H]4CCS(=O)(=O)C4)sc32)cc1 8340778 YJNZQBWACPROON-MRXNPFEDSA-N 417.556 3.022 0 40 HGAB COc1ccc(S(=O)(=O)NCc2ccccc2C)cc1C(=O)N1CCCCCC1 8405138 GOOATQARAQIFSF-UHFFFAOYSA-N 416.543 3.498 0 40 HGAB Cc1ccc(S(=O)(=O)CCC(=O)OCC(=O)Nc2ccccc2C(C)C)cc1 8637652 BYFNWZNJJNIAJB-UHFFFAOYSA-N 403.500 3.464 0 40 HGAB O=C(NC[C@H]1COc2ccccc2O1)c1cccc(OCc2cn3ccccc3n2)c1 8719926 DHUIAXABLGTOAN-FQEVSTJZSA-N 415.449 3.483 0 40 HGAB CC(C)(C)NC(=O)CN1CCCN(c2nc(-c3cccnc3)nc3ccccc23)CC1 8726321 RJIPMRMBPJDIMO-UHFFFAOYSA-N 418.545 3.119 0 40 HGAB O=C(COC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)Nc1ccc(F)c(Cl)c1 8760623 KABLKZASTLKKHL-CQSZACIVSA-N 404.825 3.010 0 40 HGAB CC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)NCc1ccc(Cl)cc1)C2=O 8852565 JYLACCHCGNKITF-UHFFFAOYSA-N 405.926 3.483 0 40 HGAB CCn1c(SCC(=O)NCCc2ccccc2)nnc1-c1ccc2c(c1)OCCO2 9096212 QJZNSRGSZCIDHE-UHFFFAOYSA-N 424.526 3.187 0 40 HGAB CC1CCN(C(=O)[C@@H](C)OC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)CC1 9182885 YODUYALJRHFRRT-AEFFLSMTSA-N 420.937 3.382 0 40 HGAB O=C(CSc1nc(Cc2ccccc2)nc2c1SCCC2)N1CCOCC1 9304403 BKJVOZOBPZUTFX-UHFFFAOYSA-N 401.557 3.057 0 40 HGAB CCOC(=O)c1cccc(NC(=O)CN(c2cccc(C)c2C)S(C)(=O)=O)c1C 10442849 DLRLSDCJKBMLNC-UHFFFAOYSA-N 418.515 3.193 0 40 HGAB Cc1nc2nc(N)nn2c(C)c1CCC(=O)N[C@@H](CC(C)C)c1nc2ccccc2[nH]1 10960087 RMXVLJPKVYRZPJ-SFHVURJKSA-N 420.521 3.036 0 40 HGAB COc1ccc(F)cc1C(=O)COC(=O)[C@@H](NC(=O)c1ccccc1F)C(C)C 11611928 VUSNXJLBQMSUHN-IBGZPJMESA-N 405.397 3.154 0 40 HGAB COC(=O)c1ccc2c(=O)n(CCC(=O)NC3CCCCCC3)c(=S)[nH]c2c1 12415879 SHCSUFRNCVEJHN-UHFFFAOYSA-N 403.504 3.075 0 40 HGAB O=C(CN1CCN(c2ccccc2)CC1)Nc1ccnn1Cc1ccccc1Cl 12562867 GYJSCPLPQXCZJN-UHFFFAOYSA-N 409.921 3.346 0 40 HGAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 12781430 WVDVYFJSKRPXQK-YCRPNKLZSA-N 412.511 3.232 0 40 HGAB CS(=O)(=O)c1cccc(C(=O)Nc2nc(-c3ccc4c(c3)CCO4)cs2)c1 12819042 AMOUTKSTZOMXTG-UHFFFAOYSA-N 400.481 3.401 0 40 HGAB CC(C)CC(=O)NC(=S)Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)cc1 12854740 WBFGKLJRDYHERW-UHFFFAOYSA-N 414.531 3.101 0 40 HGAB CCS(=O)(=O)N1CCC(NC(=O)[C@H](Sc2ccccc2)c2ccccc2)CC1 12906040 RRBQQPUNUQGFFE-HXUWFJFHSA-N 418.584 3.450 0 40 HGAB COc1ccccc1-c1noc(Cn2nnc(-c3cccc(C(F)(F)F)c3)n2)n1 12992963 AZOXUIKPRIXAJH-UHFFFAOYSA-N 402.336 3.466 0 40 HGAB CCN(CC)CN1C(=O)[C@]2(c3ccccc31)c1[nH]c3ccccc3c1CCN2C(C)=O 13635455 QQQQKVXZASFDRD-VWLOTQADSA-N 416.525 3.462 0 40 HGAB Cc1nc(-c2ccsc2)sc1C(=O)OCC(=O)Nc1ccc(C(N)=O)cc1 14185359 HFPQEEZNQIPJJR-UHFFFAOYSA-N 401.469 3.074 0 40 HGAB CNc1nc(SCC(=O)Nc2cc(NC(C)=O)ccc2OC)nc2ccccc12 14226919 QITMLYMJYBXJTK-UHFFFAOYSA-N 411.487 3.369 0 40 HGAB C[C@@H](NS(=O)(=O)c1cccc(C(=O)Nc2ccc3c(c2)OCCCO3)c1)C1CC1 14251125 WLSQEEIFWXAVQR-CQSZACIVSA-N 416.499 3.177 0 40 HGAB Cc1ccc(NC(=O)CSc2nc(=O)n(Cc3ccncc3)c3c2CCC3)cc1F 15882751 HCKPRVSOFCCYAB-UHFFFAOYSA-N 424.501 3.354 0 40 HGAB O=C(c1ccc(Cl)cc1F)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 16066694 AKGRRHYLKVFBNR-UHFFFAOYSA-N 422.909 3.115 0 40 HGAB CCOc1ccc(S(=O)(=O)NCC2(c3ccccc3OC)CCOCC2)cc1F 16973275 POWJTIIYRNXMMN-UHFFFAOYSA-N 423.506 3.260 0 40 HGAB Cc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)N3CCC(C)CC3)cc2)cc1 17355529 SJUMQCOSTQNKEI-UHFFFAOYSA-N 416.543 3.457 0 40 HGAB CC(C)(C)C(=O)N1CCC[C@H]1c1nc(O)c2c(n1)CN(C(=O)c1cccs1)CC2 19081343 VQTRAHMZIPFWCZ-HNNXBMFYSA-N 414.531 3.152 0 40 HGAB OCCn1cc(-c2ccnc(N3CCCC3)n2)c([C@H]2CCCN2Cc2ccccc2)n1 19371993 YNIOUQMUZSAWHY-JOCHJYFZSA-N 418.545 3.270 0 40 HGAB C[C@H](OC(=O)C1CCN(C(=O)c2ccco2)CC1)C(=O)NCCC1=CCCCC1 19482817 UOHDUVBCHBKQIQ-INIZCTEOSA-N 402.491 3.070 0 40 HGAB Cc1nonc1CC(=O)N1CCCC[C@H]1c1nc(N(C)C)ncc1-c1cccc(F)c1 19694383 SHHFBUOQRJVYIR-IBGZPJMESA-N 424.480 3.336 0 40 HGAB O=C([C@H]1CO[C@@H]2C=CC=C[C@@H]2O1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 19897273 IDWULGNULPQONK-TZRRMPRUSA-N 416.521 3.199 0 40 HGAB CS(=O)(=O)N(CCc1ccccc1)CC(=O)Nc1ccc(F)c(C(F)(F)F)c1 20013256 SOXXEDULDABUKP-UHFFFAOYSA-N 418.412 3.287 0 40 HGAB COc1ccc(C)cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc2cc(F)ccc2C)C1 20016996 BHRXSIDKIRHOJG-INIZCTEOSA-N 420.506 3.491 0 40 HGAB CC(C)NS(=O)(=O)c1ccc(CCC(=O)N[C@H]2CCCc3ccccc32)cc1 20023620 DWFNSQRPEWOTHB-NRFANRHFSA-N 400.544 3.500 0 40 HGAB COc1cc2ncn(CC(=O)Nc3cccc(Cl)c3Cl)c(=O)c2cc1OC 20727001 QYLOXGUXFVNIGJ-UHFFFAOYSA-N 408.241 3.359 0 40 HGAB COc1ccccc1NC(=O)Cn1nc(C2CC2)c2cnn(-c3ccccc3)c2c1=O 22767877 UPJRWSDOUVMNOW-UHFFFAOYSA-N 415.453 3.107 0 40 HGAB Cc1cccc(CS(=O)(=O)N2CCC(C(=O)N[C@H](C)c3ccccc3)CC2)c1 24611832 TUTFHNAYJJGYLU-GOSISDBHSA-N 400.544 3.414 0 40 HGAB CC(=O)c1cccc(OC[C@H](O)Cn2cnc3c(Cl)cc(Cl)cc3c2=O)c1 24973704 SFKJSPCYRLKIMK-CQSZACIVSA-N 407.253 3.346 0 40 HGAB COc1cc(CCC(=O)N2CCC(NC(=O)c3ccc(F)cc3)CC2)cc(OC)c1 25214898 GUCXBQJRMZYZDO-UHFFFAOYSA-N 414.477 3.197 0 40 HGAB COc1ccc(N(C[C@H](O)CN2CCCC2)S(=O)(=O)c2ccc(Cl)cc2)cc1 31903740 MPAPFEKBJVTUAZ-GOSISDBHSA-N 424.950 3.001 0 40 HGAB CCCn1c(=O)[nH]c(=O)c2c(C(=O)Nc3cccc4cccnc34)cc(C(C)C)nc21 32079410 BDPCBYZXNCPLFD-UHFFFAOYSA-N 417.469 3.419 0 40 HGAB CSc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2N2CCOCC2)cc1 32674618 FRLIMZISFMMOFC-UHFFFAOYSA-N 413.543 3.334 0 40 HGAB CCOc1ccc(-c2nc(CC(=O)NC3CCN(C(=O)C4CC4)CC3)cs2)cc1 32786957 LCFMQSPRKBGDNT-UHFFFAOYSA-N 413.543 3.269 0 40 HGAB NC(=O)c1cc(NC(=O)c2ccccc2C(=O)c2ccc3c(c2)OCCO3)ccc1F 33065310 DBUNSFJEKYEKNC-UHFFFAOYSA-N 420.396 3.179 0 40 HGAB COc1ccc(NC(=O)Cn2cnc3c(-c4cccc(C)c4)nsc3c2=O)cc1 33300159 FHXJDKQZVDKLEQ-UHFFFAOYSA-N 406.467 3.476 0 40 HGAB CCc1ccc2c(c1)c1nnc(SCC(=O)NCc3cccc(OC)c3)nc1n2C 35312660 ORWNYAOBOFHHAS-UHFFFAOYSA-N 421.526 3.496 0 40 HGAB COc1ccc(S(=O)(=O)NCCCCN2CCO[C@H](c3ccccc3)C2)c(C)c1 36700433 JFELLGBWZUCCKF-NRFANRHFSA-N 418.559 3.136 0 40 HGAB CCN(CC(=O)NCc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl 39985248 XXNKAAGTUCTKDH-UHFFFAOYSA-N 401.315 3.320 0 40 HGAB CCCCOc1ccc(-c2nnc(CN(CCC)[C@H]3CCS(=O)(=O)C3)o2)cc1 40119086 XALJRBILVKINEC-KRWDZBQOSA-N 407.536 3.315 0 40 HGAB O=C(Nc1ccc(N2CCCC2=O)cc1)C1=NN(Cc2ccc(F)cc2)C(=O)CC1 40141329 MSTWFLYWVKTLJR-UHFFFAOYSA-N 408.433 3.070 0 40 HGAB O=S(=O)(c1ccc2c(c1)OCCO2)N(Cc1ccsc1)Cc1ccccn1 44446151 BABAFNLETJUUNU-UHFFFAOYSA-N 402.497 3.305 0 40 HGAB O=C(COc1ccc(C(F)(F)F)cc1)Nc1ccc(CN2C(=O)CCC2=O)cc1 44474251 GZMFPKTVFKZSIQ-UHFFFAOYSA-N 406.360 3.372 0 40 HGAB CCc1cccc(NC(=O)CN2C(=O)N[C@@](c3ccccc3)(C(F)(F)F)C2=O)c1 58250106 VJWPYLQUBPUXBG-LJQANCHMSA-N 405.376 3.197 0 40 HGAB CSc1ccc([C@@H]2NC(=O)N(CC(=O)Nc3ccc(C)cc3)C3=C2C(=O)OC3)cc1 71326796 OBBRZHKZGBRYDZ-FQEVSTJZSA-N 423.494 3.233 0 40 HGAB CO[C@@H]1CCC[C@@H](C(=O)N2CCC([C@@H]3C[C@H](C(F)(F)F)n4ncnc4N3)CC2)C1 72395582 YORHETNOHKQTSO-LVQVYYBASA-N 415.460 3.010 0 40 HGAB O=C(Nc1cccc2cccnc12)c1nnn(-c2ccc(OC(F)(F)F)cc2)n1 77100475 LFROQDYTLXJKLH-UHFFFAOYSA-N 400.320 3.361 0 40 HGAB COc1ccccc1NC(=O)c1c(C)n[nH]c1NS(=O)(=O)c1ccc(C)cc1F 89616801 HCHDJZLGQAOQLZ-UHFFFAOYSA-N 418.450 3.227 0 40 HGAB COc1ccc(CN2CN(c3ccccc3OC)c3nc(C)c(C)c(=O)n3C2)cc1 95481446 YEYPHJZOLGYOIR-UHFFFAOYSA-N 406.486 3.446 0 40 HGAB CS(=O)(=O)n1c(C(=O)NCc2ccco2)cc2c1c1ccccc1n2CC1CC1 96146474 QGEIWKZKHBVKPU-UHFFFAOYSA-N 411.483 3.337 0 40 HGAB Cc1cccc(NC(=O)CN2N=N[C@@H]3C(=O)N(c4ccc(C(C)C)cc4)C(=O)[C@@H]32)c1 98212944 YNXOMGWSCCGCTE-VQTJNVASSA-N 405.458 3.050 0 40 HGAB COc1cc(OC)c(OC)cc1CN1[C@@H]2CC[C@@H]1c1cnc(N3CCCC3)nc1C2 100755965 PCQKUMLKSRQUML-VQIMIIECSA-N 410.518 3.364 0 40 HGAB CCCNS(=O)(=O)c1ccc(OCC(=O)NCc2ccc(C)cc2)c(Cl)c1 107618914 GOBBNEFMOKDKAG-UHFFFAOYSA-N 410.923 3.032 0 40 HGAB CC(C)Oc1cccc(CNC(=O)[C@@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)c1 113940550 GGSHZRVRRITJOU-OAHLLOKOSA-N 408.495 3.084 0 40 HGAB COc1ccc(-c2noc(CNC(=O)[C@@H](C)Oc3ccc(C)cc3C)n2)c(OC)c1 219536766 AZJFJXILQPBFBL-OAHLLOKOSA-N 411.458 3.454 0 40 HGAB CCOC(=O)c1cccc(NC(=O)[C@@H](C)N(c2ccccc2F)S(C)(=O)=O)c1C 220315509 XVGUDQBOOWRTRL-CQSZACIVSA-N 422.478 3.104 0 40 HGAB COc1ccc(CN(C(=O)C(C)C)[C@@H](C)C(=O)NCc2ccc3c(c2)OCO3)cc1 222986646 FUUNVJIQPIIQTK-INIZCTEOSA-N 412.486 3.113 0 40 HGAB NC(=O)COc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 223297260 ZWPKJCRGTKVSFP-UHFFFAOYSA-N 408.785 3.024 0 40 HGAB COc1ccc(OCCNS(=O)(=O)c2ccc(OC)c(Cl)c2Cl)cc1 223852924 NPQJZQIACGJFNW-UHFFFAOYSA-N 406.287 3.368 0 40 HGAB CCC(=O)Nc1nnc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)s1 225549885 LLGNTNBTEXAXSW-UHFFFAOYSA-N 416.528 3.278 0 40 HGAB COC(=O)c1ccc(OC)c(S(=O)(=O)NCc2ccnc(-c3cccs3)c2)c1 225653624 JCABGHFQNYCJHD-UHFFFAOYSA-N 418.496 3.084 0 40 HGAB CN1CCN(Cc2ccncc2)C[C@@H]1c1nnn2cc(-c3cccc(F)c3)ccc12 306128059 GPBFYDZUJWSXQI-JOCHJYFZSA-N 402.477 3.419 0 40 HGAB CCCCOC(=O)c1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(C)cc2)cc1 408582924 GBUKTDVCXHMZMY-INIZCTEOSA-N 418.515 3.257 0 40 HGAB O=C(COC(=O)c1ccc(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1)Nc1ccc(F)cc1 408656229 IOYKEYJGAGLQDG-KDURUIRLSA-N 422.412 3.077 0 40 HGAB Cc1ccc(Cl)c(OC[C@@]2(O)CCCN(CC(=O)NCc3ccccc3)C2)c1 585274164 TVPWFAWGVLWCRO-JOCHJYFZSA-N 402.922 3.171 0 40 HGAB O=C(CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]12)Nc1ccc(Cl)nc1 604418468 QVYDXXKLKAIXEI-HXUWFJFHSA-N 418.840 3.489 0 40 HGAB COCc1ccc(C(=O)N2CCC3(CC2)CC(=O)N(Cc2ccc(OC)cc2)C3)cc1 1565554204 MGHGABQQKYRKLU-UHFFFAOYSA-N 422.525 3.497 0 40 HGAB Cc1nc(C)c(C(=O)N2CCC[C@H](COc3ncc(Br)cn3)C2)s1 1775967815 AMUQMQRYOQDJMB-LBPRGKRZSA-N 411.325 3.244 0 40 HGAB O=C(c1ccc(N2CCOCC2)cc1)N1CC(n2c(C3CC3)nc3ccccc32)C1 1775971361 NEHVTCMYWVIDMD-UHFFFAOYSA-N 402.498 3.447 0 40 HGAB Cc1cnn(-c2cccc(N3CCN(c4cc(C(F)(F)F)nc(C)n4)CC3)n2)c1 2298063147 WCZMCJRHNJXHCI-UHFFFAOYSA-N 403.412 3.020 0 40 HGAB COc1ccc(CCNC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)cc1 2630624 RNVJQASGJMKQRI-UHFFFAOYSA-N 422.934 3.106 0 40 HGAB Cc1ccc(-c2noc(CCC(=O)Nc3ccccc3N3CCN(C)CC3)n2)cc1 4057363 NHXXAIOLFGICFD-UHFFFAOYSA-N 405.502 3.368 0 40 HGAB CCOC(=O)C(=O)Nc1cc(OCC)c(NC(=O)c2ccc(F)cc2)cc1OCC 4187768 JADZFVNIOBJAPQ-UHFFFAOYSA-N 418.421 3.377 0 40 HGAB COC(=O)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1cccc(Br)c1 4526223 PPKJYYWSSHZJPL-AUWJEWJLSA-N 404.216 3.122 0 40 HGAB CCn1c(COc2cc(C)ccc2C)nnc1SCC(=O)Nc1nnc(C)s1 4814691 FARHKGPVHXNOMI-UHFFFAOYSA-N 418.548 3.385 0 40 HGAB COc1ccccc1N1CCN(C(=O)CCCC(=O)N2CCc3ccccc3C2)CC1 6955079 ZLYALDFBBPLWMR-UHFFFAOYSA-N 421.541 3.099 0 40 HGAB CCOCCCNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 7881205 ZRBBUXJUBWRUBI-UHFFFAOYSA-N 402.944 3.061 0 40 HGAB CCOC(=O)c1csc(N2N=C(c3ccc(F)cc3)C[C@]2(O)C(F)(F)F)n1 8752041 RVTZZGNPEGKJTH-HNNXBMFYSA-N 403.357 3.324 0 40 HGAB CC(C)N1C(=O)NC(=O)[C@@]2(Cc3ccccc3N3C[C@@H](c4ccccc4)C[C@@H]32)C1=O 8995646 PUDKKFCNAWTZLC-NRYAXDJKSA-N 403.482 3.078 0 40 HGAB O=C(NC[C@@H](c1ccco1)N1CCCC1)C1CCN(C(=O)/C=C/c2ccccc2)CC1 9447465 UORKMKDDUQZQNY-NEQMZLFVSA-N 421.541 3.485 0 40 HGAB Cc1csc(NC(=O)CSc2nnc(NC(=O)Cc3ccc(F)cc3)s2)n1 9600192 QSKOLWQPMLSGFP-UHFFFAOYSA-N 423.520 3.354 0 40 HGAB COc1ccc(N(C(=O)c2ccccc2Br)[C@@H]2C=CS(=O)(=O)C2)cc1 9833880 AYEBAVMYIJBDFI-CQSZACIVSA-N 422.300 3.415 0 40 HGAB COc1ccccc1C(=O)NC(=S)Nc1sc2c(c1C(N)=O)CCCCC2 10039796 LXZLOQDCUYCCNJ-UHFFFAOYSA-N 403.529 3.251 0 40 HGAB CC(C)CCNC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1 10128743 RNMLLUQHNXHAKC-LJQANCHMSA-N 408.951 3.392 0 40 HGAB COc1cc(C(=O)Nc2ccc(N3CCCC3)cc2C)cc(Cl)c1OCC(N)=O 10192923 DJFHOCSKJWXCRL-UHFFFAOYSA-N 417.893 3.374 0 40 HGAB O=C(CCn1c(=S)[nH]c2ccccc2c1=O)NCc1ccc(NC(=O)C2CC2)cc1 10903695 VTZTYHAXFPJWAB-UHFFFAOYSA-N 422.510 3.114 0 40 HGAB COc1ccc(-c2nnc(S[C@H](C)C(=O)NC(N)=O)n2[C@H]2CCCC[C@@H]2C)cc1 12538200 UKMCIDOUMJMTMF-ZENOOKHLSA-N 417.535 3.380 0 40 HGAB Cc1cnc2c(S(=O)(=O)N(C)CC(=O)Nc3ccccc3Cl)cccc2c1 12538658 CRWIRHZQYYQYFC-UHFFFAOYSA-N 403.891 3.456 0 40 HGAB C[C@@H](NC(=O)NCc1ccccc1S(=O)(=O)N1CCCCC1)c1ccccc1 12756671 ZIADRKDDKLTBQW-QGZVFWFLSA-N 401.532 3.422 0 40 HGAB CCc1ccc([C@H](CNC(=O)[C@@H](NC(=O)Cc2ccccc2)C(C)C)N(C)C)cc1 12909409 VBSVXWMWHDGVOV-UPVQGACJSA-N 409.574 3.351 0 40 HGAB Cc1ccc2oc(C(=O)NCC(=O)Nc3ccccc3Br)cc(=O)c2c1 12937656 DABXOHTXRPBSTI-UHFFFAOYSA-N 415.243 3.232 0 40 HGAB COc1ccc(C(=O)Nc2nc(C)cs2)cc1S(=O)(=O)N1CCCCCC1 15007845 ZFHPULRBUPQIQW-UHFFFAOYSA-N 409.533 3.277 0 40 HGAB CCN(CC)CCNC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(C)cc2)c1 15339761 LSCALUDTAUCPRK-UHFFFAOYSA-N 403.548 3.176 0 40 HGAB O=C(NC[C@H](c1cccnc1)N1CCc2ccccc2C1)C(=O)Nc1ccc(F)cc1 15882585 ZZKKZMUGHFLGFS-JOCHJYFZSA-N 418.472 3.075 0 40 HGAB C[C@H]1CN(S(=O)(=O)c2cc(Br)ccc2Br)C[C@@H](C)O1 16088993 RMOMRWHNHUFESX-DTORHVGOSA-N 413.131 3.010 0 40 HGAB COc1ccc(OC)c([C@H]2NC(=S)NC(C)=C2C(=O)Nc2ccc(F)cc2)c1 16994734 WZRWLQWNBZLEMU-GOSISDBHSA-N 401.463 3.274 0 40 HGAB CCNC(=O)[C@@]1(Cc2ccccc2-c2ccccc2)CCN(C(=O)c2cc[nH]n2)C1 19528994 JNXFYOPRIUDBMA-XMMPIXPASA-N 402.498 3.288 0 40 HGAB CN(CCc1ccccc1)c1nc([C@H]2CC(=O)N(c3ccc(F)cc3)C2)cc(=O)[nH]1 19586230 SFRLJTPHXQWCFW-KRWDZBQOSA-N 406.461 3.108 0 40 HGAB COc1ccc(C(=O)N2CCC(c3ccc(C(=O)Nc4nccs4)cn3)CC2)cn1 19708301 VDGPUSQNKWJBAK-UHFFFAOYSA-N 423.498 3.214 0 40 HGAB O=C(CSc1nc(O)c(Cc2ccccc2)c(=O)[nH]1)Nc1ccc2c(c1)CCC2 19814950 RDNXBOYNIZAACD-UHFFFAOYSA-N 407.495 3.286 0 40 HGAB CCn1c(SCC(=O)NCc2ccccc2)nnc1-c1ccc(NC(C)=O)cc1 19929374 JBVIISKSKWIJQB-UHFFFAOYSA-N 409.515 3.332 0 40 HGAB Cc1c(Cl)cccc1NC(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1 20483282 QYYGLGXPDRMTII-INIZCTEOSA-N 415.298 3.468 0 40 HGAB Cc1cccc(OCCNC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)c1 21786017 TYIIVUDJPFJLHH-UHFFFAOYSA-N 416.543 3.287 0 40 HGAB COC(=O)CCCCCNC(=O)c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 21970286 GKMJUXQWRXJAII-UHFFFAOYSA-N 422.478 3.090 0 40 HGAB Cc1cc(I)ccc1NC(=O)COC(=O)c1ccsc1 22536801 HNRWIASYBFHLLZ-UHFFFAOYSA-N 401.225 3.457 0 40 HGAB O=C(Nc1ccc(Oc2ccc3nnnn3n2)cc1)c1ccccc1Br 23077423 WXDGBCTVPGBPKH-UHFFFAOYSA-N 411.219 3.326 0 40 HGAB Cc1ccc([C@@H](c2sc3nc(C)nn3c2O)N2CCC3(CC2)OCCO3)cc1 23156875 YWVXNCKNALHETG-INIZCTEOSA-N 400.504 3.042 0 40 HGAB COC(=O)c1ccc(Cl)c(NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c1 24040240 USVQHYMXFLZIKG-UHFFFAOYSA-N 422.890 3.163 0 40 HGAB O=C(c1ccc(OC[C@@H]2CCCO2)cc1)N1CCC(c2nnc3ccccn23)CC1 24327066 JPLRFULDRAPRHN-FQEVSTJZSA-N 406.486 3.307 0 40 HGAB O=S(=O)(c1ccc2c(c1)CCN2Cc1nnc(-c2ccccc2)o1)N1CCCCC1 24511428 XFXJHWOTGBZFPB-UHFFFAOYSA-N 424.526 3.474 0 40 HGAB CCc1nnsc1C(=O)N1CCN(Cc2csc(-c3ccc(F)cc3)n2)CC1 24920972 JHZVOIRWHIRONF-UHFFFAOYSA-N 417.535 3.321 0 40 HGAB Cc1ccc(N2N=C(C(=O)Nc3ccc(OC(C)C)c(Cl)c3)NCC2=O)cc1 24924604 RQKNKSSZYPKBNT-UHFFFAOYSA-N 400.866 3.324 0 40 HGAB O=C(Cc1csc(-c2cccs2)n1)N(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 25818626 CKQISQKGUGWSSP-CQSZACIVSA-N 422.553 3.223 0 40 HGAB O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1O)c1nc(Cl)ccc1Cl 28671474 YDSKUSBUWCTQQG-UHFFFAOYSA-N 416.286 3.131 0 40 HGAB CC[C@H](C)c1ccccc1OS(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 32770593 LFDQAPGKRIAJPR-AWEZNQCLSA-N 409.529 3.409 0 40 HGAB O=C(Cn1c(SCC(=O)N2CCc3ccccc32)nc2ccccc21)N1CCCC1 35312080 LHRZCKFQYOXYBP-UHFFFAOYSA-N 420.538 3.340 0 40 HGAB O=C(c1cccc2ccccc12)N1CCN(C[C@H](O)COCc2ccccc2)CC1 40062589 VINWIEQDORDJLR-QFIPXVFZSA-N 404.510 3.175 0 40 HGAB Cc1nn(C)c(C)c1CC(=O)N[C@@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 40107798 VMZCZROIPUEYLA-SFHVURJKSA-N 422.451 3.078 0 40 HGAB CC[C@H]1CCCCN1c1nc2c(c(=O)[nH]1)[C@@H](C(=O)Nc1cc(C)cc(C)c1)CC(=O)N2 40390602 LCRJBCJETRQKHI-IRXDYDNUSA-N 423.517 3.220 0 40 HGAB CC(C)n1cnc2nc(COc3ccccc3NC(=O)c3ccccc3)cc(=O)n21 41077143 HHEALVDAYKDTPU-UHFFFAOYSA-N 403.442 3.303 0 40 HGAB CN(C)S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccccc2Sc2ccccc2)C1 44849083 DCHQMVJGENDPAJ-INIZCTEOSA-N 419.572 3.295 0 40 HGAB CN1CCN(C(=O)c2ccc(NC(=O)c3ccc(Br)cc3)cc2)CC1 45583330 AYYSTUNXACXIMH-UHFFFAOYSA-N 402.292 3.089 0 40 HGAB Cn1c(C(=O)OCC(=O)Nc2ccc(O)cc2)c(Br)c2ccccc21 46410711 SVGBHVCUFOBSKE-UHFFFAOYSA-N 403.232 3.442 0 40 HGAB O=C(Nc1nncs1)[C@H]1CCCN(C(=O)C2(c3cccc(Cl)c3)CCC2)C1 47479373 DNNPUZANPNOUHL-ZDUSSCGKSA-N 404.923 3.491 0 40 HGAB Cc1ccc(C)c(S(=O)(=O)NCCC(=O)N2CCC(c3ccc(O)cc3)CC2)c1 48325445 AVVNRLUXJAVWPG-UHFFFAOYSA-N 416.543 3.084 0 40 HGAB Cc1cccc(-n2c(=O)c3sccc3n(CC(=O)N3C[C@@H](C)C[C@H](C)C3)c2=O)c1 57490027 FKXMHHADAMWJJD-HOTGVXAUSA-N 411.527 3.027 0 40 HGAB O=C(NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1)N[C@@H]1CCN(Cc2ccccc2)C1 65529604 GVHGNIFAAQTNGQ-RBUKOAKNSA-N 414.500 3.365 0 40 HGAB COc1ccc(C(=O)CN2N=C(c3ccccc3)c3ccccc3S2(=O)=O)cc1 67206750 JXMODNGHDKWEFK-UHFFFAOYSA-N 406.463 3.335 0 40 HGAB CC[C@H](NC(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1)c1nnc2n1CCCCC2 72318841 WJNSBOFUHGTEGH-ROUUACIJSA-N 411.506 3.003 0 40 HGAB Cn1nc(C2CCN(C(=O)C(C)(C)Oc3ccc(Cl)cc3)CC2)n(C2CC2)c1=O 77148571 MCSYNLZTCZADRB-UHFFFAOYSA-N 418.925 3.134 0 40 HGAB Cc1noc(-c2ccc(=O)n(Cc3nc(-c4ccc(OC(F)(F)F)cc4)no3)c2)n1 77199952 AXMDMWYBNWVLQZ-UHFFFAOYSA-N 419.319 3.204 0 40 HGAB O=C([C@@H]1CC=CCC1)N1CCC2(CC1)OCCN2S(=O)(=O)c1ccc(Cl)cc1 77200684 SXHAFUBQDCOZQG-MRXNPFEDSA-N 424.950 3.036 0 40 HGAB Cc1cc(C)n2nc(SCCNC(=O)c3cccnc3Oc3ccccc3)nc2n1 95428486 IOBYFERQZOCSPH-UHFFFAOYSA-N 420.498 3.451 0 40 HGAB CC(=O)Nc1cccc2c1ccn2CC(=O)NC1CCN(Cc2ccccc2)CC1 96116662 UFTKULYXNGKJPG-UHFFFAOYSA-N 404.514 3.381 0 40 HGAB Cc1cnc(NC(=O)[C@H]2CC[C@H](CNS(=O)(=O)c3ccc(F)cc3)CC2)s1 101546133 NTNOLNDYDYNQDZ-OKILXGFUSA-N 411.524 3.314 0 40 HGAB CCOc1ccc([C@@H](C)NC(=O)CCN2C(=O)[C@H]3CCCC[C@H]3C2=O)cc1OCC 102819150 QSWFBNJXSGZCBK-NXHRZFHOSA-N 416.518 3.227 0 40 HGAB COc1cc(OC)cc(OCC(=O)NCc2nc(-c3ccccc3Cl)no2)c1 218899896 HWQVTBXPIBHTJQ-UHFFFAOYSA-N 403.822 3.102 0 40 HGAB CNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN1C(=O)c2cccc3cccc1c23 222421126 UYAYNIJAIOHASJ-QGZVFWFLSA-N 415.493 3.272 0 40 HGAB COc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)N(C)c2ccccc2)CC1 222594818 QWPYLENAYAHHPN-UHFFFAOYSA-N 422.934 3.412 0 40 HGAB S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2C[C@@H]2CCCO2)N1C[C@@H]1CCCO1 223303400 RHNMNDDUBMMESE-ZCLUNYJNSA-N 412.559 3.214 0 40 HGAB CC[C@H](C(=O)NCCOc1ccc(C)c(Cl)c1)N(c1ccccc1)S(C)(=O)=O 224157343 STRPNMDUECFLDC-LJQANCHMSA-N 424.950 3.388 0 40 HGAB Cc1ccc([C@H](C)NS(=O)(=O)c2nnc(NC(=O)c3ccccc3)s2)c(C)c1 224361403 FXAZFHWWOLNYST-AWEZNQCLSA-N 416.528 3.447 0 40 HGAB CSc1ccccc1N(CCCC(=O)NCCc1ccc(F)cc1)S(C)(=O)=O 224879496 PZCUVZQBORKGTF-UHFFFAOYSA-N 424.563 3.453 0 40 HGAB Cc1cccc(C)c1N(CC(=O)Nc1ccc(N2CCCC2)cc1)S(C)(=O)=O 224905532 LVZDUHIKDHVONH-UHFFFAOYSA-N 401.532 3.308 0 40 HGAB COc1ccccc1[C@H](C)NC(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O 225487110 AJNLEBCXFBVGAJ-AWEZNQCLSA-N 410.923 3.300 0 40 HGAB COC(=O)c1cc(NC(=O)Cc2cccc(Br)c2)cc(C(=O)OC)c1 225619342 BDRWUCQNNQNSJJ-UHFFFAOYSA-N 406.232 3.204 0 40 HGAB O=C(Cc1cccc(Br)c1)NCc1ccccc1CN1CCCC1=O 225621155 MQIREIYBEGQKAN-UHFFFAOYSA-N 401.304 3.430 0 40 HGAB O=C1CCCN1Cc1ccccc1CNC(=S)Nc1ccc(N2CCCC2=O)cc1 225652650 GSPDEFFLGUDBHF-UHFFFAOYSA-N 422.554 3.422 0 40 HGAB COc1ccc(S(=O)(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)cc1C(=O)N1CCC(C)CC1 251759641 TYXUKVAKBFILET-TXPKVOOTSA-N 406.548 3.034 0 40 HGAB COCCN1CC=CCC2(CCN(Cc3cc4ccccc4nc3N(C)C)CC2)C1=O 257344317 ZWPWRPXHGRIZBI-UHFFFAOYSA-N 422.573 3.318 0 40 HGAB O=C1c2cccn2[C@@H]2CN(Cc3ccc4c(c3)OCO4)C[C@@H]2N1Cc1cccs1 306142177 WSCAPGRWBMQPAT-MOPGFXCFSA-N 407.495 3.360 0 40 HGAB CN(C)c1cc2[nH]c(O)nc2cc1NC(=O)c1cccc(I)c1 408538091 IYHVQTGNVKVWIW-UHFFFAOYSA-N 422.226 3.191 0 40 HGAB CCCCc1nnc(SCC(=O)NCCc2ccc(OC)c(OC)c2)n1CC 408561029 VQMNNFVMZBCUKV-UHFFFAOYSA-N 406.552 3.109 0 40 HGAB COc1cccc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccccc2)c1 408606253 OJJCJQIUGNYPIW-OAQYLSRUSA-N 410.495 3.224 0 40 HGAB Cc1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1OCC(=O)NCCC(C)C 408674570 AEXKZIFGYVYSHZ-UHFFFAOYSA-N 408.495 3.476 0 40 HGAB CS(=O)(=O)N(CCCC(=O)Nc1cccc(Cl)c1)c1ccc2c(c1)OCO2 408704931 VVWUXRPEFMFRPM-UHFFFAOYSA-N 410.879 3.254 0 40 HGAB COc1ccc(NS(=O)(=O)c2cccc(N3C(=O)c4ccccc4C3=O)c2)cc1 408721510 ITROVEGYHCFYLZ-UHFFFAOYSA-N 408.435 3.297 0 40 HGAB Cc1cccc(-n2c(SCC(=O)NC[C@H]3CCCO3)nnc2-c2ccncc2)c1 409215992 HCOSFMGWTQBTNU-GOSISDBHSA-N 409.515 3.025 0 40 HGAB CC(=O)NCCc1ccc(S(=O)(=O)N2CCC[C@@H]2Cc2ccccc2C)s1 522280637 XKQQTCQVLKOWRK-GOSISDBHSA-N 406.573 3.131 0 40 HGAB NC(=O)c1ccccc1Oc1ccc(NC(=O)N[C@H](C2CC2)[C@@H](CO)C2CC2)cc1 1669172992 XQRQULAZANRILP-PZJWPPBQSA-N 409.486 3.496 0 40 HGAB O=C(c1nc2ccccc2s1)N1CCN(c2ccnc(C(F)(F)F)c2)C(=O)C1 1775973033 DMPRSDXFXUJUIM-UHFFFAOYSA-N 406.389 3.199 0 40 HGAB COc1ccc(C(=O)N2CCC(COc3ccc4nc(C)c(C)n4n3)CC2)cc1F 1888904421 ZBMJCYYQMMULRT-UHFFFAOYSA-N 412.465 3.425 0 40 HGAB Cc1nc(N2CCC(CN(C)c3ncnc(C4CC4)c3F)CC2)c2ccncc2n1 1888913785 RZJYBOKBYCTHMP-UHFFFAOYSA-N 407.497 3.493 0 40 HGAB COC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccc(OCc2ccccc2)c(OC)c1 949757 CBHYITAAFBMCCQ-HXUWFJFHSA-N 406.442 3.328 0 40 HGAB CCOc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3cccc(C)c3C)C2)cc1 1289973 VHPVGPMRJLZCSE-KRWDZBQOSA-N 410.470 3.237 0 40 HGAB O=C(Nc1ccccn1)c1cccc(S(=O)(=O)N2C[C@H](c3ccccc3)CC2=O)c1 1421306 YIMQMSPVGQINKW-GOSISDBHSA-N 421.478 3.039 0 40 HGAB CC(=O)NC(=S)Nc1ccc(NC(=S)NC(=O)c2ccc(Cl)cc2)cc1 2249184 DUWFNWKLRNNHLA-UHFFFAOYSA-N 406.920 3.300 0 40 HGAB Cc1ccc(-c2nn(C)c(=O)c3ccccc23)cc1CNC(=O)CN1CCCCC1 2260006 OHLBGYDOJPWYTJ-UHFFFAOYSA-N 404.514 3.011 0 40 HGAB CCOC(=O)c1sc2nc(COC(=O)c3ccc(Cl)cc3)[nH]c(=O)c2c1C 2636765 WJDPRVHSEQUOPK-UHFFFAOYSA-N 406.847 3.480 0 40 HGAB O=C(COC(=O)c1ncc(Cl)c(Cl)c1Cl)NC(=O)NCc1ccccc1 2658806 BVRKCVSCQCAJQQ-UHFFFAOYSA-N 416.648 3.225 0 40 HGAB C[C@H]1CN(C(=O)COC(=O)COc2cc(Cl)c(Cl)cc2Cl)C[C@H](C)O1 3227966 PCYGKZYRODZHES-UWVGGRQHSA-N 410.681 3.205 0 40 HGAB CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)C[C@H]1CCS(=O)(=O)C1 4392502 CRJSJLZLIUUVQZ-CYBMUJFWSA-N 407.513 3.355 0 40 HGAB CC(C)(C)c1ccc(-n2c(=O)[nH]c3c(C(N)=O)nc(-c4cccc(F)c4)nc32)cc1 5143478 GAEAQGCJUOEPNK-UHFFFAOYSA-N 405.433 3.311 0 40 HGAB C[C@@H](OC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)C(=O)Nc1ccc2ccccc2c1 5239891 ZMQYETYYAGOBNK-QAPCUYQASA-N 406.438 3.352 0 40 HGAB Cc1ccc([C@@H]2OCCn3c(-c4ccccc4)c4c(=O)n(C)c(=O)n(C)c4c32)cc1 5348954 ZBPNUYFOZYKPJZ-QFIPXVFZSA-N 401.466 3.134 0 40 HGAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)/C=C/c2ccc(OC)c(OC)c2)c1 5591634 VBUHAVGFGRLXHG-ACCUITESSA-N 418.515 3.386 0 40 HGAB Cc1ccc(C)c(-n2nnnc2SCC(=O)NCCc2ccc(Cl)cc2)c1 6945072 COUZVRFXDBIALI-UHFFFAOYSA-N 401.923 3.384 0 40 HGAB Cn1c(SC[C@@H](O)COCc2ccc3c(c2)OCO3)nnc1-c1ccccc1F 7200564 OUZFMJUZQBYKKF-AWEZNQCLSA-N 417.462 3.020 0 40 HGAB O=C(Cc1ccc2c(c1)CCC2)Nc1ccc(S(=O)(=O)NCc2ccco2)cc1 7518434 WMTIUWAGESWAJP-UHFFFAOYSA-N 410.495 3.428 0 40 HGAB Cc1cccc(N2C[C@@H](C(=O)Oc3cccc(N4C(=O)CCCC4=O)c3)CC2=O)c1C 7928570 CMTPEBGAWAOFIA-KRWDZBQOSA-N 420.465 3.305 0 40 HGAB COc1cccc(N2C[C@H](C(=O)OCC(=O)Nc3cccc4ccccc34)CC2=O)c1 7940144 XUSPKSSRWPNBLI-QGZVFWFLSA-N 418.449 3.383 0 40 HGAB O=C([C@H]1CN(C(=O)c2cnc3ccccc3n2)c2ccccc2O1)N1CCCCC1 8708014 NMDSVRXTQFCAOU-OAQYLSRUSA-N 402.454 3.050 0 40 HGAB Cc1nc2c(=O)n(CC(=O)NCc3ccccc3)nc(-c3ccc(F)cc3)c2s1 8955521 WOOGDTSUOSZHFM-UHFFFAOYSA-N 408.458 3.284 0 40 HGAB O=C(CN(Cc1ccco1)S(=O)(=O)c1ccccc1)N1CCc2ccccc2C1 9995153 BLNUOUGHDHSOKI-UHFFFAOYSA-N 410.495 3.055 0 40 HGAB Cc1csc(NC(=O)CSc2ccc(NC(=O)c3ccccc3F)nn2)n1 11738886 XTCGQSAAFWZAOI-UHFFFAOYSA-N 403.464 3.364 0 40 HGAB NC(=O)c1nc(-c2ccc(C(F)(F)F)cc2)nc2c1[nH]c(=O)n2-c1ccc(F)cc1 12080831 SPTPZPWKDWQMGF-UHFFFAOYSA-N 417.322 3.033 0 40 HGAB Cc1cc2cc(CNc3ccc(N4CCC(C(N)=O)CC4)cc3)c(=O)[nH]c2cc1C 12088316 CCIWWTJVAIIUSD-UHFFFAOYSA-N 404.514 3.459 0 40 HGAB CCc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCCN3S(=O)(=O)CC)cc1 12180479 NJWNOHIABXLVIG-UHFFFAOYSA-N 408.545 3.152 0 40 HGAB O=c1c2cnn(-c3cccc(C(F)(F)F)c3)c2ncn1C[C@@H](O)c1ccccc1 12742849 GRDNXANOUOSXHQ-QGZVFWFLSA-N 400.360 3.335 0 40 HGAB C[C@@H](OC(=O)c1ccc(=O)n(Cc2ccccc2)n1)C(=O)Nc1cccc(Cl)c1 12862799 LYKGIALLMQPUOP-CQSZACIVSA-N 411.845 3.129 0 40 HGAB COc1ccc(C(C)=O)cc1CSCC(=O)Nc1ccc2c(c1)NC(=O)CO2 12902937 AFDZUSROJRYTND-UHFFFAOYSA-N 400.456 3.101 0 40 HGAB CCS(=O)(=O)c1ccc(O)c(NC(=O)c2cc(Br)ccc2F)c1 12998601 IHLQVMUTJIQROT-UHFFFAOYSA-N 402.241 3.340 0 40 HGAB O=S(=O)(Nc1cc(Cl)ccc1N1CCOCC1)c1ccc(F)c(F)c1F 13041707 RABCTPQHXYMXFC-UHFFFAOYSA-N 406.813 3.395 0 40 HGAB O=C(O)[C@H]1CC=CC[C@@H]1C(=O)Nc1ccccc1NS(=O)(=O)c1ccc(F)cc1 13469674 NHWSVAGUASKVBH-HOTGVXAUSA-N 418.446 3.232 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(OC)c(NCCOc2ccc(OC)cc2)c1 14703434 KYHIOSZNPVMZCA-UHFFFAOYSA-N 408.520 3.225 0 40 HGAB COc1ccc(OC)c([C@H]2CCCN2S(=O)(=O)c2ccc3c(c2)OCCO3)c1 17333271 KRJXECCATMALLA-QGZVFWFLSA-N 405.472 3.001 0 40 HGAB C[C@@H](C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 17751497 QFBGIEXSWRROJI-CYZMBNFOSA-N 417.437 3.367 0 40 HGAB COc1cc(CN2CCC([C@@H](NC(C)=O)c3ccccn3)CC2)cc(OC)c1OC 19020446 CSMLIAZRSCHTNI-JOCHJYFZSA-N 413.518 3.197 0 40 HGAB O=C(CC[C@@H]1CCCO1)NCc1ccc(-c2ccnc3nc(C(F)(F)F)nn23)cc1 19334547 ZXUZQMQSDBDZJU-HNNXBMFYSA-N 419.407 3.386 0 40 HGAB CC(C)[C@H](NC(=O)c1ccc2c(c1)C[C@@H](C)O2)c1cc(=O)[nH]c(-c2ccccn2)n1 19497990 ALZIUNJOOPXMOE-SZNDQCEHSA-N 404.470 3.282 0 40 HGAB CCc1cc(C(F)(F)F)c2c(C3CCN(C(=O)Cn4ccnc4)CC3)noc2n1 19522062 NABYBCSHTVWYHH-UHFFFAOYSA-N 407.396 3.407 0 40 HGAB CCn1cc(C(=O)N2CC[C@@H](c3cc4nc(C)cc(C(F)(F)F)c4c(=O)[nH]3)C2)cn1 19524851 JYJVUNOTDIACOX-GFCCVEGCSA-N 419.407 3.096 0 40 HGAB CCCc1oc(C(=O)N2CCN(C)C[C@H]2c2ccccc2)cc1CN1CCOCC1 19525222 YQKBOAZONRHALT-NRFANRHFSA-N 411.546 3.193 0 40 HGAB CCNC(=O)[C@@]1(Cc2ccc(-c3cccc(C)c3)cc2)CN(C(=O)C2CC2)CCO1 19529220 DCLJRBLJPLFTJO-RUZDIDTESA-N 406.526 3.348 0 40 HGAB COCCOc1cc(CN2C[C@@H](CN3CCOCC3)c3ccccc32)ccc1OC 19593614 GGSOAUIXUFBSRH-HXUWFJFHSA-N 412.530 3.156 0 40 HGAB Cc1nc([C@H]2CCCN(Cc3c(C)nn(C(C)C)c3C)C2)nc2c1CCC(=O)N2C 19741502 XQRPEWRPAIVHGZ-SFHVURJKSA-N 410.566 3.468 0 40 HGAB COCCNC(=O)c1cc([C@@H]2CN(CCc3ccccc3)CCO2)nc2ccccc12 19762276 CQQOVFKJCPOFOM-DEOSSOPVSA-N 419.525 3.227 0 40 HGAB COc1cc2c(cc1OC)[C@@H](c1cc(OC)c(OC)c(OC)c1)C1=C(COC1=O)N2 20086293 CGYIMMFMENAHSL-LJQANCHMSA-N 413.426 3.098 0 40 HGAB CCn1ncc(N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c(Cl)c1=O 20219174 GOZOHGRDIKLJGP-UHFFFAOYSA-N 422.238 3.310 0 40 HGAB CCOc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccccc3Cl)CC2=O)cc1 21094216 CTLVXPRBLNRIBY-AWEZNQCLSA-N 416.861 3.274 0 40 HGAB CCN(C(=O)CSc1nc2ccccc2n1CCC(C)C)[C@H]1CCS(=O)(=O)C1 22134051 OJZMWFAFXPGKOS-INIZCTEOSA-N 423.604 3.210 0 40 HGAB O=C([C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1)N1CCCCCC1 22247025 DKKFNISTDYIPNT-FQEVSTJZSA-N 404.507 3.118 0 40 HGAB Cc1cc(S(=O)(=O)NCC(C)C)ccc1OCC(=O)N[C@H](C)c1ccc(F)cc1 22537175 MESAGHDMBQAYCC-MRXNPFEDSA-N 422.522 3.325 0 40 HGAB COc1cc2c(cc1OC)CN([C@@H]1CC(=O)N(c3cc(Cl)ccc3C)C1=O)CC2 22609387 HDEFXVKFDTZBNY-GOSISDBHSA-N 414.889 3.356 0 40 HGAB Cc1cccc(NC(=O)CN2CCN([C@@H](C)C(=O)N(C)C3CCCCC3)CC2)c1C 22783481 UZQLZEALWPFMKQ-FQEVSTJZSA-N 414.594 3.039 0 40 HGAB O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)Nc1ccc(Cl)c2cccnc12 22867496 UQSHGCUNZCQKCB-JOCHJYFZSA-N 420.856 3.220 0 40 HGAB Cc1noc(-c2ccc(C(=O)OCC(=O)Nc3ccccc3OC(F)F)cc2)n1 22977729 ODRDAAMUAYQXMR-UHFFFAOYSA-N 403.341 3.442 0 40 HGAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)[C@@H]1CCCN(C(=O)c2cccs2)C1 24598530 LVXVTYWGKVRLAV-QGZVFWFLSA-N 413.543 3.314 0 40 HGAB CSc1ccc(S(=O)(=O)Nc2cccc(C)c2C)cc1C(=O)N1CCOCC1 26117148 MRWANLUUTZFWJD-UHFFFAOYSA-N 420.556 3.299 0 40 HGAB CCOC(=O)c1ccc(CNS(=O)(=O)c2ccc(Cl)c(Cl)c2OC)o1 26919538 PWJQZADTDNCFIE-UHFFFAOYSA-N 408.259 3.250 0 40 HGAB COc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)CCCc3ccccc3)C2)cc1 30864165 LLFDYXXQDYKMRT-IBGZPJMESA-N 416.543 3.308 0 40 HGAB CC(C)CN(CC(C)C)C(=O)CN(C)CC(=O)Nc1ccccc1Br 31204468 BWVYCKVFOUQBMS-UHFFFAOYSA-N 412.372 3.460 0 40 HGAB COc1ccc(C(=O)N(C)[C@H](C)c2ccc(F)cc2)cc1S(=O)(=O)NC1CC1 32842988 AUWRKJABTMHNGG-CYBMUJFWSA-N 406.479 3.108 0 40 HGAB C[C@@H]1CCN(C(=O)CN(C)Cc2nc3ccccc3c(=O)[nH]2)c2ccccc2S1 35414121 PZAVCZULRIMPGM-OAHLLOKOSA-N 408.527 3.272 0 40 HGAB CC(=O)N1CCOc2cc(S(=O)(=O)N3CCC[C@@H]3c3ccc(F)cc3)ccc21 36621218 YXYSQBPMDSHFLR-GOSISDBHSA-N 404.463 3.097 0 40 HGAB COc1ccc(S(=O)(=O)NCCCCN2CCO[C@@H](c3ccccc3)C2)c(C)c1 36700434 JFELLGBWZUCCKF-OAQYLSRUSA-N 418.559 3.136 0 40 HGAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)O2 38835048 IVVGIVGNXRAHIP-MRXNPFEDSA-N 415.298 3.468 0 40 HGAB CCOC(=O)c1cc2cc(NC(=O)C3CCN(S(=O)(=O)CC)CC3)ccc2s1 40082369 XYJUNUISOVICRH-UHFFFAOYSA-N 424.544 3.078 0 40 HGAB Cc1noc(C)c1CC(=O)N[C@@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 40107800 VQKGNUNNVKAHGM-KRWDZBQOSA-N 409.408 3.333 0 40 HGAB CNC(=O)c1ccccc1NC(=O)Cn1c(=O)n(C2=CCCCC2)c2ccccc21 40131679 FVGQPMSUYFVOHW-UHFFFAOYSA-N 404.470 3.216 0 40 HGAB C[C@H](Oc1ccc(C(=O)NCc2ccnc(N3CCOCC3)c2)cn1)c1ccccc1 40133029 SOOMPCLPLBPLDL-SFHVURJKSA-N 418.497 3.383 0 40 HGAB O=S(=O)(NCC1CCN(c2ccccn2)CC1)c1ccc(OC(F)(F)F)cc1 43955349 WKYIICFFFATDMS-UHFFFAOYSA-N 415.437 3.175 0 40 HGAB Cc1nn2c(=O)cc(CSc3nnc(Nc4cccc(F)c4)s3)nc2s1 44030250 YZPVEEGELGGYQA-UHFFFAOYSA-N 406.493 3.486 0 40 HGAB CC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)c1ccccc1 44839343 DGGAFOUEWYTYFY-LJQANCHMSA-N 422.934 3.242 0 40 HGAB Cc1ccc(NC(=O)Cn2nc3c(Oc4cc(C)cc(C)c4)nccn3c2=O)cc1 49008651 GIRPTZPELAQZCU-UHFFFAOYSA-N 403.442 3.247 0 40 HGAB O=C(Cc1ccc(NC(=O)c2cncc(Br)c2)cc1)NCC(F)(F)F 49523953 JKNQUVLLUWNFGH-UHFFFAOYSA-N 416.197 3.317 0 40 HGAB Cc1ccc(C)c(-c2cc3c(=O)n(CC(=O)Nc4ccc(C)c(F)c4)ncn3n2)c1 51317068 DFXMLYZOITVDFU-UHFFFAOYSA-N 405.433 3.261 0 40 HGAB COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N2CCC[C@H](C(=O)Nc3ccccc3)C2)c1C 57315435 VIBBHCIGAAZPIA-SJORKVTESA-N 411.502 3.340 0 40 HGAB CN(C(=O)Cn1c(=O)n(-c2ccccc2F)c(=O)c2sccc21)c1ccccc1 57490475 AGXCAUYCEHZNGG-UHFFFAOYSA-N 409.442 3.016 0 40 HGAB CCc1cc(=O)n(CC(=O)Nc2ccc(C(=O)OC)cc2)c(-c2cccc(F)c2)n1 57508260 QQFZNAOFFQGDPL-UHFFFAOYSA-N 409.417 3.037 0 40 HGAB CCOC(=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)sc(=O)n3CC)c1 64946789 ZRQAVZASFDQXIX-UHFFFAOYSA-N 406.485 3.060 0 40 HGAB O=C1N[C@]2(COC3(CCN(C(=O)c4cc5c(s4)CCC5)CC3)C2)Nc2ccccc21 72325306 VAPWAMLRAARLQZ-HSZRJFAPSA-N 423.538 3.184 0 40 HGAB O=C(c1ccco1)N1CCN(c2ncc(-c3cnccn3)c(-c3cccs3)n2)CC1 72338714 XJUMSZMNMOKZLU-UHFFFAOYSA-N 418.482 3.218 0 40 HGAB Cc1cccc(Cc2cccc([C@H]3CCCN(S(=O)(=O)c4cn(C)cn4)C3)n2)c1 72350335 SQOMWLKVGPSHES-IBGZPJMESA-N 410.543 3.283 0 40 HGAB CCN(CCN(C)CC(F)(F)F)C(=O)c1cc(Br)cnc1Cl 79021482 FBZFBTAKQMTDQV-UHFFFAOYSA-N 402.642 3.454 0 40 HGAB CCOC(=O)[C@H](NC(=O)CCc1nnc(-c2ccsc2)o1)C1(OCC)CCCC1 79110660 RHWIOBOZJKIOSQ-KRWDZBQOSA-N 421.519 3.128 0 40 HGAB CCc1n[nH]c(=O)c(CNc2cc(C(F)(F)F)nc(-c3ccccn3)n2)c1CC 83817669 PJGVJYYKXOOQNW-UHFFFAOYSA-N 404.396 3.378 0 40 HGAB Cc1cc(N2CCN(Cc3c(C)nc4n3CCCC4)CC2)nc(-c2cccnc2)n1 95997005 BDBRCNJQTLBVFG-UHFFFAOYSA-N 403.534 3.010 0 40 HGAB COc1cc(NC(=O)C[C@H](CC(=O)O)c2cccs2)ccc1N1CCCC1=O 96024584 XVGUBWCQFWJDLV-CYBMUJFWSA-N 402.472 3.471 0 40 HGAB CCN(C(=O)c1ncn2c1CN(CCC(C)C)S(=O)(=O)c1ccccc1-2)C(C)C 96266261 KVUXXIRKUURBIE-UHFFFAOYSA-N 418.563 3.293 0 40 HGAB COC(=O)Cn1ncc2c(NC3(c4ccc(Br)cc4)CCC3)ncnc21 97165726 RKZTUWLOXUAKKX-UHFFFAOYSA-N 416.279 3.253 0 40 HGAB COCCn1ccc2c(NC(=O)CC[C@H]3NC(=O)c4ccccc4N=C3O)cccc21 101413310 FTWZYZMBIHTCMY-LJQANCHMSA-N 420.469 3.407 0 40 HGAB COc1ccccc1N1C(=O)C[C@H](c2c(C)nn(-c3nc4ccccc4o3)c2O)C1=O 101983822 UKEOMXLKURANHE-CYBMUJFWSA-N 418.409 3.083 0 40 HGAB Cc1ccc(C(=O)COC(=O)C2CCC(N3C(=O)[C@@H]4[C@H]5CC[C@@H](C5)[C@H]4C3=O)CC2)cc1 102080392 QFQNABIZLIPWHD-CXPMTYEKSA-N 423.509 3.311 0 40 HGAB CC(=O)c1cccc(NC(=O)CN(c2cccc(OC(C)C)c2)S(C)(=O)=O)c1 220106891 ZGMPZODZGIXAMN-UHFFFAOYSA-N 404.488 3.081 0 40 HGAB CCCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc3sncc3c2)cc1 222721897 TZGRFQIWHNZONN-UHFFFAOYSA-N 419.528 3.392 0 40 HGAB CCOC(=O)C1(c2ccc(NS(=O)(=O)c3ccc(OC)c(OC)c3)cc2)CC1 222978543 FCZAAYZTSNOIQB-UHFFFAOYSA-N 405.472 3.099 0 40 HGAB CC(C)NC(=O)N1CCC(O)(c2csc(CN3CCc4ccccc4C3)n2)CC1 225474349 XWPMDGHWQFOGKV-UHFFFAOYSA-N 414.575 3.103 0 40 HGAB biogenic,in-vitro O=C(NCCCc1ccc(F)cc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 225537561 HDCJBWXVVPCVSI-QGZVFWFLSA-N 422.497 3.115 0 40 HGAB O=C(NCc1nnc2ccc(-c3cccs3)nn12)c1cc(-c2ccc(F)cc2)n[nH]1 225763925 VMFLSJGUSCNJTI-UHFFFAOYSA-N 419.445 3.312 0 40 HGAB CS(=O)(=O)N(CC(=O)Nc1nnc(-c2ccccc2)s1)c1ccccc1Cl 225859378 MAODIMMGSDWQKA-UHFFFAOYSA-N 422.919 3.263 0 40 HGAB CC(=O)N1CCc2nc3cc([C@H]4CCCCN4C[C@@H]4CC=CCC4)nn3c(O)c2C1 247929465 JKEUSCCXKRDTLI-DYESRHJHSA-N 409.534 3.223 0 40 HGAB Cc1n[nH]c(C)c1C12C[C@H]3C[C@@H](CC(CC(=O)NC[C@H](C)N4CCOCC4)(C3)C1)C2 248007367 PZQRCVSDRHVKDZ-UNIYWIHDSA-N 414.594 3.092 0 40 HGAB COc1cccc(N(CC(=O)Nc2c(Cl)cccc2Cl)S(C)(=O)=O)c1 408576437 HCYCKHMLEUIAIV-UHFFFAOYSA-N 403.287 3.407 0 40 HGAB FC(F)C[C@H]1COCCN1Cc1ccc(CN2CCOC[C@@H]2CC(F)F)cc1 513391366 BCFKPONABMLEHU-ROUUACIJSA-N 404.448 3.399 0 40 HGAB C[C@@H](Oc1ccccc1Cl)C(=O)N1CCC(n2nc(C3CC3)ccc2=O)CC1 1775986124 WGSZYFKFCSHNTK-CQSZACIVSA-N 401.894 3.405 0 40 HGAB Cc1ncc(CN2CC[C@@H]3[C@@H](CCCCc4ccccc4OCC(=O)N3C)C2)cn1 2037988832 KOVFUAWOCQBSQZ-FCHUYYIVSA-N 408.546 3.239 0 40 HGAB O=C(CN1C[C@@H](c2ccccc2)CC1=O)Nc1ccccc1I 623716 GZUVIYUJSHFNHH-AWEZNQCLSA-N 420.250 3.246 0 40 HGAB CCOc1ccc(NS(=O)(=O)c2ccc(I)cc2)cc1 642698 UXSIFVLLXZHYEJ-UHFFFAOYSA-N 403.241 3.491 0 40 HGAB O=C(CSc1nnc(-c2cccnc2)n1Cc1ccccc1)NCc1ccco1 890275 TWFQGWVUQQEESF-UHFFFAOYSA-N 405.483 3.390 0 40 HGAB CCc1nnc(NC(=O)CSc2nnc(COc3ccc(C)cc3)n2CC)s1 908373 OLIRCRBLFLUHHQ-UHFFFAOYSA-N 418.548 3.330 0 40 HGAB Cc1sc(-c2cnccn2)nc1OC(=O)c1ccc(S(C)(=O)=O)cc1Cl 1385761 NHGRNZWIOXTVIN-UHFFFAOYSA-N 409.876 3.185 0 40 HGAB COC(=O)c1ccc([C@H]2SC[C@H]3C(=O)N(c4ccc(F)cc4)C(=S)N32)cc1 1443716 MXCCWLLEKAKIBA-DOTOQJQBSA-N 402.472 3.360 0 40 HGAB CCOC(=O)[C@](NC(=O)c1ccc(OC)cc1)(Nc1ccccc1F)C(F)(F)F 2271844 TYISYJSVBIMFDT-GOSISDBHSA-N 414.355 3.498 0 40 HGAB Cc1ccc(C(=O)COC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)cc1 3239715 AQUTZBQKOZHRRN-UHFFFAOYSA-N 401.484 3.209 0 40 HGAB Cc1cc2nnc(SCC(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)n2c2ccccc12 3293300 MOMRJQBJZPJYFI-UHFFFAOYSA-N 404.455 3.091 0 40 HGAB Cc1ccc(C)c(C(=O)COC(=O)CN2C(=O)N[C@@]3(C[C@@H](C)CC(C)(C)C3)C2=O)c1 3380300 MNBBTQUQYBUIPW-NPMXOYFQSA-N 414.502 3.166 0 40 HGAB CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)C(=O)NCc1ccccc1 3388555 HREJPAPHHUMWQA-SFHVURJKSA-N 406.573 3.020 0 40 HGAB Cc1ccc(CNC(=O)C(=O)c2cn(CC(=O)N3CCCC3)c3ccccc23)cc1 4272083 WWVWAMXLLJSJHB-UHFFFAOYSA-N 403.482 3.071 0 40 HGAB CC(=O)c1cccc(NC(=O)CSc2nnc(-c3ccccc3Cl)n2N)c1 4315437 HSGXJPKVTPDLPW-UHFFFAOYSA-N 401.879 3.246 0 40 HGAB O=S(=O)(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccc(Cl)cc1 5126631 ZUVMYZHQMGTQAR-UHFFFAOYSA-N 414.936 3.315 0 40 HGAB CCC(CC)C(=O)OCC(=O)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1 5445173 YABFMARTMADBSQ-UHFFFAOYSA-N 410.536 3.169 0 40 HGAB COc1ccccc1C(=O)NC(=S)Nc1ccc(Br)cc1C(=O)O 6571036 BOEFJAXFVSPKKF-UHFFFAOYSA-N 409.261 3.283 0 40 HGAB Cc1ccccc1NC(=O)COC(=O)c1cccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 8040128 MYAOFNDOQHGKAF-RTBURBONSA-N 418.449 3.246 0 40 HGAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N(C)Cc2ccc3c(c2)OCCO3)c1C 8225982 BZEDARAIUACXIS-HNNXBMFYSA-N 400.475 3.283 0 40 HGAB CCN(CC)C(=O)CN1c2ccc(Br)cc2-c2ccccc2S1(=O)=O 9250363 ZAOJSDJDMKKOLJ-UHFFFAOYSA-N 423.332 3.493 0 40 HGAB O=C1N[C@@]2(CCOc3ccccc32)C(=O)N1Cc1cc(Cl)c2c(c1)OCCCO2 9500585 YPIVPXXWKXVJEA-OAQYLSRUSA-N 414.845 3.231 0 40 HGAB O=C(Cn1cc(C(F)(F)F)ccc1=O)OCC(=O)c1ccc(Br)s1 9882849 XJPNLWRMXKPRPP-UHFFFAOYSA-N 424.194 3.117 0 40 HGAB CCc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2OC)CC1 10302922 GDERYSXKRXLHLV-UHFFFAOYSA-N 420.506 3.436 0 40 HGAB CC(=O)Nc1cccc(NC(=O)CCCN(c2ccc(C)c(C)c2)S(C)(=O)=O)c1 10367692 LXYFEHVDHXAURI-UHFFFAOYSA-N 417.531 3.447 0 40 HGAB CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)Nc2nc3ccccc3s2)cc1 10368212 QFQAKJOWJXQAMD-UHFFFAOYSA-N 418.544 3.446 0 40 HGAB CCOc1ccc(CNC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)cc1 10448888 HGPZZUVEFTWCFG-UHFFFAOYSA-N 422.934 3.453 0 40 HGAB CS(=O)(=O)N(CC(=O)N1CCCc2ccccc21)c1cccc(Br)c1 10449540 UVCHAPJUIIXTBE-UHFFFAOYSA-N 423.332 3.195 0 40 HGAB COc1ccccc1Oc1ccc(NC(=O)Cn2c(=O)[nH]c(=O)c3ccccc32)cc1 11170827 CRCGVBZWNYPSLW-UHFFFAOYSA-N 417.421 3.129 0 40 HGAB COc1cccc(CN2CCC(O)(Cn3nc(-c4cccs4)ccc3=O)CC2)c1 12186601 HWKNCQKQDZCGEA-UHFFFAOYSA-N 411.527 3.008 0 40 HGAB O=S(=O)(/C=C/c1ccccc1)N1CCN(c2ccc(-c3cccs3)nn2)CC1 12443595 GIBSXSCMSFTCNX-MHWRWJLKSA-N 412.540 3.328 0 40 HGAB Cc1ccc(-c2noc([C@@H]3C[C@H](NS(=O)(=O)c4ccc(C)cc4)CN3C)n2)cc1 12529770 PVZSDRSFLHLUAT-HKUYNNGSSA-N 412.515 3.077 0 40 HGAB biogenic,in-vitro Cn1cnc2c1c(=O)n(CCCSCc1ccc(Cl)c(Cl)c1)c(=O)n2C 12535491 DNLQLDOERAZTRF-UHFFFAOYSA-N 413.330 3.064 0 40 HGAB CC(C)N1CCC(NC(=O)c2ccc(S(=O)(=O)Nc3ccccc3)cc2)CC1 12584621 CNKFELGNSXGIRH-UHFFFAOYSA-N 401.532 3.090 0 40 HGAB O=C(Cn1nnc(-c2cccc(Cl)c2)n1)Nc1ccccc1C(=O)NC1CCCC1 12696988 RMZDNWMQPVAXRM-UHFFFAOYSA-N 424.892 3.305 0 40 HGAB Cc1ccc(OCC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)c(Br)c1 12734309 RBEPMAXJEQOVRO-UHFFFAOYSA-N 421.247 3.256 0 40 HGAB O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)Nc1ccc(Cl)cc1Cl 12988289 CSWDUUPYJPXYIG-UHFFFAOYSA-N 404.253 3.004 0 40 HGAB Cc1ccccc1NS(=O)(=O)c1cc(C(=O)NCCCN(C)C)ccc1Cl 13670680 ITPCCJFKPYKERK-UHFFFAOYSA-N 409.939 3.131 0 40 HGAB CC(C)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 15600099 WUOPFDMLYLXFIQ-HXNAPQRPSA-N 410.518 3.152 0 40 HGAB COC(=O)c1cc(C2CC2)nc2c1c(-c1cccs1)nn2[C@H]1CCS(=O)(=O)C1 16850701 QDQYLSUVCIACOC-LBPRGKRZSA-N 417.512 3.183 0 40 HGAB COCCn1c(C)cc2cc(NC(=O)[C@H](C)Sc3nc(=O)c(C)c(C)[nH]3)ccc21 19126259 XKDWIVRFLFRGCT-HNNXBMFYSA-N 414.531 3.416 0 40 HGAB Cc1ccc(C)c([C@H](NC(=O)Cc2ccc(-n3nnnc3C)cc2)c2ccncc2)c1 19132279 PXEHUOCYTHURSQ-XMMPIXPASA-N 412.497 3.431 0 40 HGAB O=C(Nc1ccccc1CN1CCCCCC1)[C@H]1CC(=O)N(Cc2ccncc2)C1 19349110 CGULCLHTZHHVBE-NRFANRHFSA-N 406.530 3.445 0 40 HGAB CCOC(=O)[C@]1(C[C@H]2CC(c3ccc(F)cc3)=NO2)CCCN(C[C@@H]2CCOC2)C1 19530031 ZFGKKZFWXMIMPI-WGGBDISSSA-N 418.509 3.391 0 40 HGAB COc1ccc([C@H]2CN(Cc3ccccc3)C[C@@H]2NC(=O)c2ccncc2)cc1OC 19561460 LYDWPWMNWPZXQX-YADHBBJMSA-N 417.509 3.497 0 40 HGAB Cc1sc2ncnc(N3CCC(C(=O)N[C@@H](C)c4cnn(C)c4C)CC3)c2c1C 19716439 IRPKNDQCABZBKK-ZDUSSCGKSA-N 412.563 3.444 0 40 HGAB CCN1CCC[C@H]1CN/C=C1/C(=O)N(c2ccccc2OC)C(=O)c2ccccc21 20503996 QGBBVLJFUAZDFP-BJMRFWQKSA-N 405.498 3.297 0 40 HGAB CC(C)NC(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(Br)cc1 20889298 WOCTWRKGMGDLHV-UHFFFAOYSA-N 423.332 3.339 0 40 HGAB O[C@@H](COc1ccccc1Br)CN1CCN(Cc2ccccc2)CC1 22030842 FNMGUWMXNDEYGN-GOSISDBHSA-N 405.336 3.007 0 40 HGAB C[C@H](Sc1nc(CN2CCOCC2)nc2ccccc12)C(=O)N1CCCCCC1 22188628 ROEOJEMKNGEQTR-KRWDZBQOSA-N 414.575 3.345 0 40 HGAB CC1(C)C[C@H](NC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)c2ccccc2O1 22363249 MBIVGSSJSHZPQW-KRWDZBQOSA-N 406.479 3.010 0 40 HGAB COc1ccc([C@@H](C)NC(=O)CN(c2ccccc2C(C)C)S(C)(=O)=O)cc1 22397391 YTWWUNWMRYNACE-MRXNPFEDSA-N 404.532 3.462 0 40 HGAB CCn1nccc1C(=O)N(CCN1CCOCC1)c1nc2c(Cl)cccc2s1 23128225 NJOSXSBKVFLRPC-UHFFFAOYSA-N 419.938 3.145 0 40 HGAB COc1ccc(-c2nnc(CN3C(=O)N[C@@](C)(c4ccccc4Cl)C3=O)o2)cc1 23907877 YPXUEPIGOCXNDB-FQEVSTJZSA-N 412.833 3.366 0 40 HGAB C[C@H](Sc1nnc(Nc2cccc(F)c2)s1)C(=O)Nc1ncnc2nc[nH]c12 25054265 SNWKMNTYKNNIJI-QMMMGPOBSA-N 416.467 3.206 0 40 HGAB O=C(NC[C@@H]1COc2ccccc2O1)C1=Cc2cc(Br)ccc2OC1 25075578 CURFQQJGSDKZBT-OAHLLOKOSA-N 402.244 3.181 0 40 HGAB O=C(CN1CCC(NC(=O)NCCc2cccc(Cl)c2)CC1)Nc1ccccc1 26282922 UUEBCSKQGLNSRD-UHFFFAOYSA-N 414.937 3.285 0 40 HGAB O=C(N[C@H](c1ccccc1)c1ccccn1)c1cccc(S(=O)(=O)NC2CC2)c1 29713697 YAWVSYALTSTTDV-OAQYLSRUSA-N 407.495 3.042 0 40 HGAB CCOC(=O)C1=C(CNc2ccccc2OCC)NC(=O)N[C@H]1c1cccs1 32718890 QJMZFSQQVMBQER-SFHVURJKSA-N 401.488 3.430 0 40 HGAB Cc1noc(C)c1COc1ccccc1C(=O)NCc1ccc(Cn2cncn2)cc1 32904433 GAEGMTYAZBZZSZ-UHFFFAOYSA-N 417.469 3.440 0 40 HGAB CCN1CCc2nc3ccccc3c(C(=O)NC[C@@H]3COc4ccccc4O3)c2C1 32995898 SCWNAISXONHZHO-MRXNPFEDSA-N 403.482 3.183 0 40 HGAB CCOC(=O)COc1ccc2c(c1)C[C@H](NC[C@@H](O)c1cccc(Cl)c1)CC2 34104850 RDJQCOBTKKAQAH-TZIWHRDSSA-N 403.906 3.462 0 40 HGAB biogenic COC(=O)c1ccc(CN2C(=O)S/C(=C/c3ccc4c(c3)OCCO4)C2=O)o1 34853223 CPNGRMHZDOVUPB-CXUHLZMHSA-N 401.396 3.074 0 40 HGAB Cc1ccc(C(=O)[C@@H]2[C@H]3C(=O)N(c4ccc(C)cc4C)C(=O)[C@@H]3[C@H]3CCCN23)cc1 35377983 OFZSRVMXIITFEV-CZYKHXBRSA-N 402.494 3.447 0 40 HGAB CC1(C)[C@H]2CC[C@]1(C)C(=O)N(CC(=O)N1CCC[C@H](c3nc4ccccc4[nH]3)C1)C2=O 36748617 BZLHRZIFBYPGIO-CCHLGUQTSA-N 422.529 3.080 0 40 HGAB Cc1ccc(CN2CCC(C(=O)Nc3ccccc3C(=O)N3CCOCC3)CC2)cc1 39763774 JGDYOJDVYYTLTJ-UHFFFAOYSA-N 421.541 3.318 0 40 HGAB C[C@H]1CN([C@@H](CNC(=O)COc2ccccc2)c2c(F)cccc2Cl)CCO1 40106854 WMXNRNMQQNNKKF-KXBFYZLASA-N 406.885 3.436 0 40 HGAB Cc1csc(=O)n1CCC(=O)NCc1ccccc1CN1C[C@H](C)C[C@@H](C)C1 48353695 LGIIMXNWEOVPLT-IAGOWNOFSA-N 401.576 3.403 0 40 HGAB Cc1cc(C)nc(Nc2nc(C(=O)Nc3ccc(N4CCOCC4)cc3)cs2)n1 49032321 WLBUDENLSFMNMC-UHFFFAOYSA-N 410.503 3.382 0 40 HGAB COc1ccc(-c2cc(C(=O)N3CCN(c4ccccc4F)CC3)n[nH]2)c(OC)c1 57477163 BCUSWCBMQGQNJH-UHFFFAOYSA-N 410.449 3.195 0 40 HGAB CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2CN(C)c2ccccc2)cc1 58107223 PGHRMDHZBFJFKV-LJQANCHMSA-N 402.516 3.153 0 40 HGAB CCCC[C@@H](CC)CNC(=O)C(=O)Nc1ccc(CCCN2CCOCC2)cc1 59498043 NSNOMDPPKXJZPR-LJQANCHMSA-N 403.567 3.223 0 40 HGAB CCCCN(CC)C(=O)Cn1c(=O)n(-c2cccc(C)c2C)c(=O)c2sccc21 67218357 XANZULPHIITPEX-UHFFFAOYSA-N 413.543 3.479 0 40 HGAB Cc1ccc(NC(=O)c2cc3ccc(O)cc3o/c2=N\c2ccc(C(N)=O)cc2)nc1 67294293 HGCWEKIMGQCNQY-RWEWTDSWSA-N 414.421 3.425 0 40 HGAB CCOC(=O)C[C@@H](c1ccc(-c2ccc(F)cc2)o1)c1oc(CO)cc(=O)c1O 71280075 VYNDOMGFCXDQFU-HNNXBMFYSA-N 402.374 3.322 0 40 HGAB Cc1cc(N2CCOCC2)nc(C2=CCN(C[C@H](O)c3ccc(Cl)cc3)CC2)n1 72339606 ZZRFTEGPGNAWLO-FQEVSTJZSA-N 414.937 3.098 0 40 HGAB CC(C)Cn1ccc2c(NC(=O)CN3C(=O)c4ccccc4S3(=O)=O)cccc21 72404258 JFUJIMGLSGXJLH-UHFFFAOYSA-N 411.483 3.081 0 40 HGAB COc1cc(Cl)c(C)cc1NC(=O)C(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 84077213 VJRQCHPETJVZSP-GOSISDBHSA-N 406.841 3.335 0 40 HGAB CCOC(=O)[C@@H]1CCCN([C@H](c2ccccc2)c2sc3nc(CC)nn3c2O)C1 102896628 QUXMOPZEVORLNA-NVXWUHKLSA-N 414.531 3.423 0 40 HGAB COc1cccc(N(CCCC(=O)N[C@H](C)c2ccc(C)cc2)S(C)(=O)=O)c1 113967286 CIXAWSRTMFVDQP-QGZVFWFLSA-N 404.532 3.427 0 40 HGAB COc1ccc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)cc1Br 205707094 LTQHVTBBBBQBKL-NTUHNPAUSA-N 414.277 3.446 0 40 HGAB Cc1cccc(CCCNC(=O)c2ccc(CS(=O)(=O)N3CCCC3)cc2)c1 216423130 WBZHIEWGBLQGPX-UHFFFAOYSA-N 400.544 3.283 0 40 HGAB COc1cc(OC)cc(OCC(=O)N(C)Cc2nc(-c3ccc(Cl)cc3)no2)c1 218901045 PHKXLKIHHYADKP-UHFFFAOYSA-N 417.849 3.445 0 40 HGAB COc1cccc(-c2noc(CN(C)C(=O)c3cccc(N4CCCC4=O)c3)n2)c1 219217438 FOIZLQQMTBTEHA-UHFFFAOYSA-N 406.442 3.144 0 40 HGAB CC[C@@H](NC(=O)[C@H](C)N(c1cccc(OC)c1)S(C)(=O)=O)c1ccc(OC)cc1 220183285 DXDCBKGTCKPWFT-MGPUTAFESA-N 420.531 3.126 0 40 HGAB COC(=O)c1cc2cc(NS(=O)(=O)c3cc(C(=O)O)ccc3F)ccc2s1 223370609 FRDZFSVIIJGJBZ-UHFFFAOYSA-N 409.416 3.326 0 40 HGAB COc1cccc(-c2noc(CN(C)S(=O)(=O)c3c(C)cc(C)cc3C)n2)c1 223758772 UKSVWPLMTFTYLV-UHFFFAOYSA-N 401.488 3.491 0 40 HGAB CSc1nnc(NC(=O)CCCN(c2cccc(C)c2C)S(C)(=O)=O)s1 224875056 OPFCSWATKJEIDG-UHFFFAOYSA-N 414.578 3.062 0 40 HGAB COC(=O)CN(c1ccc(Br)cc1F)S(=O)(=O)c1ccc(F)cc1 224920079 SYLVDMZOQNVWRY-UHFFFAOYSA-N 420.231 3.096 0 40 HGAB Cc1ccc(-c2nnc(NS(=O)(=O)c3ccc(N4CCCC4=O)cc3)s2)cc1 225264591 GUVUDUXXALYQAC-UHFFFAOYSA-N 414.512 3.441 0 40 HGAB O=C(NCCSc1ncn[nH]1)[C@@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 225906946 XMSXEIOKCSFTIH-CYBMUJFWSA-N 414.362 3.232 0 40 HGAB O=C(NCc1nnc2ccc(-c3cccs3)nn12)c1cc(O)nc2ccccc12 238840463 HSYJYXNSFXBUBZ-UHFFFAOYSA-N 402.439 3.037 0 40 HGAB C[C@H](C(=O)Nc1ccccc1CN1CCCCC1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 253375271 PBURPTYVIMFIBE-ZHOIUHGQSA-N 409.530 3.031 0 40 HGAB Cc1cc(N2CC3(CCOCC3)OC2=O)nc([C@H]2CCCN2C(=O)C(C)(C)C)n1 257240965 HVYYNMQADUYAPP-OAHLLOKOSA-N 402.495 3.000 0 40 HGAB Cn1cnc(S(=O)(=O)N2CCC[C@@H](c3ncc(Cc4ccc(Cl)cc4)o3)C2)c1 257300996 RWMGBJWZCBHZEY-OAHLLOKOSA-N 420.922 3.221 0 40 HGAB O=C(NCc1nnc2n1CC[C@@H](C(F)(F)F)C2)c1cc(Br)cs1 390829944 HPXYSTZRDBHZHB-SSDOTTSWSA-N 409.231 3.157 0 40 HGAB COc1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc3ccccc3c2)cc1OC 408556135 CIOCKRURRTVLRT-AWEZNQCLSA-N 414.483 3.163 0 40 HGAB CCC[C@@H](C)NC(=O)C1CCN(S(=O)(=O)c2cc(Cl)ccc2OCC)CC1 408558707 SPDCZJPWOLYCKR-CQSZACIVSA-N 416.971 3.444 0 40 HGAB O=C(NC[C@H](c1cccs1)n1cccn1)C(=O)Nc1ccc(OC(F)(F)F)cc1 575612673 BUPLWANNUHCVGR-CQSZACIVSA-N 424.404 3.188 0 40 HGAB Cc1cc(Cl)c(C)c(S(=O)(=O)NCC(C)(C)[C@]2(O)CCCOC2)c1Cl 1192886479 XCTODDGCJDPUFB-KRWDZBQOSA-N 410.363 3.456 0 40 HGAB Cc1nc(N2CCN(c3nccn4nc(C5CC5)cc34)CC2)cc(C(F)(F)F)n1 1888882205 GWIRVRXJPCHOOC-UHFFFAOYSA-N 403.412 3.051 0 40 HGAB COc1cc(OC)cc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)c1 790848 ZLYDTEGMDVYEEY-UHFFFAOYSA-N 413.455 3.152 0 40 HGAB COC(=O)c1ccc(NC(=O)N2CCc3nc[nH]c3[C@@H]2c2ccc(OC)cc2)cc1 20763143 JCDZEPHPMNLIBV-FQEVSTJZSA-N 406.442 3.385 0 40 HGAB biogenic CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N2CC(=O)Nc3ccccc32)cc1 2634786 IXJBTRWNMNLXOM-UHFFFAOYSA-N 421.478 3.111 0 40 HGAB Cc1cc(NC(=O)CN2CCC(n3nnc4cc(C(F)(F)F)ccc43)CC2)no1 4356506 TYVGHVQNGAVROV-UHFFFAOYSA-N 408.384 3.022 0 40 HGAB COc1ccc(NC(=O)[C@@H](Cc2ccccc2)N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@@H]3C2=O)cc1 4554310 CUNZZMHAVBCWQM-LAJDLSKKSA-N 418.493 3.276 0 40 HGAB Cc1nc2ccccc2nc1COC(=O)CCC(=O)N1CCC(c2ccccc2)=N1 32721573 LWRSDPHFDBHBFA-UHFFFAOYSA-N 402.454 3.398 0 40 HGAB CCOc1ccc(S(=O)(=O)N2CCN(c3ccccc3OC)CC2)cc1OCC 7495607 LELNACGQHCMYMZ-UHFFFAOYSA-N 420.531 3.004 0 40 HGAB C[C@H]1Cc2cc(C(=O)Nc3cccc(Br)c3)ccc2N1S(C)(=O)=O 7666853 PEVNOSXDSQEUMY-NSHDSACASA-N 409.305 3.412 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(Cl)cc3)C2)cc1 7941035 JCSISLKNASSNJF-AWEZNQCLSA-N 408.907 3.388 0 40 HGAB COc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCCO)cc1OC 11917640 DTGNVLRZBRCJGZ-HXUWFJFHSA-N 409.438 3.046 0 40 HGAB CC(=O)N1CCc2nc3cc([C@@H]4CCCCN4CC4CCCCC4)nn3c(O)c2C1 100242969 RGEIZWJQKIZESS-NRFANRHFSA-N 411.550 3.447 0 40 HGAB O=C1CN(c2ccc(NC(=O)Cc3ccc(Br)cc3)cc2Cl)CCN1 32915432 ZDAHTKNDNDBYFH-UHFFFAOYSA-N 422.710 3.220 0 40 HGAB O=C(CCN1CCN(C(=O)c2cccc(OC(F)F)c2)CC1)Nc1ccccc1F 32909563 SIZFHFCADMFWNM-UHFFFAOYSA-N 421.419 3.214 0 40 HGAB C[C@H](Sc1nc(O)c2cnn(-c3ccccc3)c2n1)C(=O)NCc1ccccc1 8855948 KKQWQMBPWLARAF-AWEZNQCLSA-N 405.483 3.318 0 40 HGAB O=S(=O)(NCc1ccc(CN2CCOCC2)cc1)c1ccccc1C(F)(F)F 22358793 OKKKSDQCNVDAGV-UHFFFAOYSA-N 414.449 3.016 0 40 HGAB NC(=O)Nc1cccc(C(=O)N2CCN(Cc3csc(-c4ccccc4)n3)CC2)c1 22605753 VMDCLBNWZYYKPF-UHFFFAOYSA-N 421.526 3.259 0 40 HGAB Cc1nc(-c2cccnc2)[nH]c(=O)c1CC(=O)N(Cc1ccco1)Cc1ccco1 47330694 IXWHJJYIHFUGLV-UHFFFAOYSA-N 404.426 3.098 0 40 HGAB COc1ccc(-n2c(SCC(N)=O)nc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 947735 IDXSIRAISVVOIM-NSHDSACASA-N 415.540 3.158 0 40 HGAB CSCc1nc2sc(C(=O)N[C@@H]3CCOc4ccccc43)c(C)c2c(=O)[nH]1 12567377 IBJRGSNQOSYDRS-GFCCVEGCSA-N 401.513 3.410 0 40 HGAB O=C(NCc1ccc(CN2CCOCC2)cc1)c1cc(F)ccc1Br 24178470 XYMWTOUGYQDSJQ-UHFFFAOYSA-N 407.283 3.350 0 40 HGAB C[C@H]1CN(C(C)(C)CNC(=O)NCc2ccc(OC(F)(F)F)cc2)C[C@@H](C)O1 24970824 KBUWGHGYYRLVIY-OKILXGFUSA-N 403.445 3.272 0 40 HGAB COC(=O)C[C@H](NC(=O)C1CCN(C(=O)c2cccs2)CC1)c1cccs1 24970956 XZGJXVSPLMXEOO-AWEZNQCLSA-N 406.529 3.082 0 40 HGAB Cc1cc(S(N)(=O)=O)cc(NC(=O)CSc2ccc(C(F)(F)F)cn2)c1C 21638611 PTZPCWRNDRSWOQ-UHFFFAOYSA-N 419.450 3.095 0 40 HGAB Cc1cc(=O)c(C(=O)Nc2cccc(C(=O)NC3CC3)c2)nn1-c1ccccc1Cl 12682259 ZUOZNJVXQSDLMV-UHFFFAOYSA-N 422.872 3.339 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)N[C@@H]1CCCc2ccccc21 20111574 KVHWQQWTZJHELX-HXUWFJFHSA-N 414.527 3.287 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2cc(C)cc(C)c2)cc1 3339257 QSVKUWACBAQUDP-UHFFFAOYSA-N 418.515 3.129 0 40 HGAB O=S(=O)(N[C@@H]1CCCC[C@@H]1N1CCN(c2ccccc2F)CC1)c1ccccc1 58085810 DOPYBUKPRYMXNB-IRLDBZIGSA-N 417.550 3.237 0 40 HGAB COc1ccc(CN(C)S(=O)(=O)Cc2ccc(Br)cc2)cc1OC 20041477 MNXILXWXVBCYFI-UHFFFAOYSA-N 414.321 3.428 0 40 HGAB O=S(=O)(NCCc1cc(F)cc2c1OCOC2)c1ccc(F)c(C(F)(F)F)c1 58381943 ANOJRGBLTHWUCT-UHFFFAOYSA-N 423.359 3.371 0 40 HGAB Cc1ccc(C(=O)O)c(NC(=O)c2cccc(N3C(=O)[C@@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)c2)c1 408671814 LHXGMLXNIZMVSS-AFHBHXEDSA-N 416.433 3.257 0 40 HGAB Cc1cc(C)c(NC(=O)[C@@H](C)OC(=O)c2ccc(=O)n(Cc3ccccc3)n2)c(C)c1 12869340 IADWRIJYWHYDAS-GOSISDBHSA-N 419.481 3.401 0 40 HGAB COc1ccc([C@@H](NC(=O)CN2CCC(c3nncn3C3CC3)CC2)C(C)C)cc1 89801711 QJDGVMHJEHMKJV-QFIPXVFZSA-N 411.550 3.315 0 40 HGAB Cc1cc(C(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c2cnn(C(C)C)c2n1 10968476 CZYPRJKTXKJJLE-AWEZNQCLSA-N 400.504 3.215 0 40 HGAB O=C(CN1CCC[C@H]1c1ccc2c(c1)OCCCO2)NC(=O)Nc1ccccc1F 8275243 QOHWBLXQWGLLFX-SFHVURJKSA-N 413.449 3.472 0 40 HGAB Cc1ccc2nc(NC(=O)[C@H]3CCCN3S(=O)(=O)c3ccccc3)sc2c1 12980371 YORGBPXKELJFMY-MRXNPFEDSA-N 401.513 3.397 0 40 HGAB Cc1cc(NC(=O)CN(C)CC(=O)Nc2cccc(C)c2C)n(-c2ccccc2)n1 12982588 JOBNDFIXVQTUNE-UHFFFAOYSA-N 405.502 3.307 0 40 HGAB Cc1ccc(N2C[C@@H](C(=O)N(C)CC(=O)Nc3c(C)cccc3C)CC2=O)cc1F 12919204 WOZGDNDBQMMNFM-KRWDZBQOSA-N 411.477 3.201 0 40 HGAB Cc1nn(-c2ccccc2)nc1C(=O)N(Cc1ccc(C(=O)NC2CC2)cc1)C1CC1 26897937 BEJUJAOYHDINSW-UHFFFAOYSA-N 415.497 3.273 0 40 HGAB CC(C)COC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OCC(C)C)[C@@H]1c1cccc(F)c1 13564495 MOBZJTQVGSXGLX-UGTOYMOASA-N 422.493 3.264 0 40 HGAB COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)NCCC(=O)NC1CC1)CC2 13624451 DWOATOSEMGHCNT-HSZRJFAPSA-N 423.513 3.030 0 40 HGAB CCc1cccc(C)c1NC(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O 408704351 MIROMGHYDZDWCY-UHFFFAOYSA-N 418.515 3.471 0 40 HGAB COCC(=O)N[C@H]1CC[C@]2(C)CC[C@H]([C@H](C)C(=O)NC3CCCCC3)[C@H](O)[C@H]2[C@@H]1C 20466783 AVPRHXKBNPWLFP-JZCCEULGSA-N 422.610 3.026 0 40 HGAB biogenic,in-vitro C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)OCC(=O)c3ccccc3)cc2)C1 6887232 KRHRPXYAPCYRPV-IRXDYDNUSA-N 415.511 3.393 0 40 HGAB O=C(CCn1ccn2nc(-c3ccc(F)cc3)cc2c1=O)NCc1ccc(F)cc1 67261101 RGTSVYAYKCDMSJ-UHFFFAOYSA-N 408.408 3.148 0 40 HGAB CC(=O)c1ccc(NC(=O)COC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@@H](C)N3)cc1 80338689 KHWQWPVOKANOHX-BMIGLBTASA-N 424.379 3.189 0 40 HGAB COc1ccc2c(c1OC)C(=O)O[C@@H]2N1C(=O)CC[C@H]1C(=O)Nc1ccc(C)cc1C 9033959 COIRBZUOFZPQFR-AOMKIAJQSA-N 424.453 3.119 0 40 HGAB biogenic COc1ccc(NC(=O)[C@H]2Sc3nnc(C)n3N[C@H]2c2ccc(OC)cc2)cc1 9236774 ZUMKIAKVGLWTOR-ROUUACIJSA-N 411.487 3.002 0 40 HGAB Cc1cc(=O)n2c(n1)NC(N1CCC(Cc3ccccc3)CC1)=N[C@H]2c1cccnc1 9264563 NAIHLQLVBJLREU-JOCHJYFZSA-N 414.513 3.230 0 40 HGAB COc1cc2c(cc1OC)CC(=O)N(CC(=O)c1ccc3c(c1)OCCCO3)C=C2 96114360 NNYPIICFINGLFI-UHFFFAOYSA-N 409.438 3.103 0 40 HGAB biogenic CCn1c(Cc2ccc(OC)cc2)nnc1SCC(=O)Nc1nc(C)cs1 72191644 ANKFZYPIYGHTKZ-UHFFFAOYSA-N 403.533 3.393 0 40 HGAB COc1cccc(-c2noc([C@H](C)NC(=O)C3CCN(C(=O)c4ccoc4)CC3)n2)c1 72303552 VXIOWNLMOGWCTP-AWEZNQCLSA-N 424.457 3.068 0 40 HGAB O=C(Nc1cccc(C(=O)N2CCOCC2)c1)c1ccc(-c2nc(C3CC3)n[nH]2)cc1 72312755 SUKFBJLIDQTIFZ-UHFFFAOYSA-N 417.469 3.074 0 40 HGAB COC(=O)[C@H](c1cccc(Cl)c1)N1CCN(C(=O)Nc2ccccc2OC)CC1 95428461 BFGPCKPUBGGZRM-IBGZPJMESA-N 417.893 3.412 0 40 HGAB COc1ccccc1[C@H](NC(=O)c1ccc2c(c1)C(=O)N(C)C2=O)c1ccccc1 78667053 XHABLDVEGDUVEZ-OAQYLSRUSA-N 400.434 3.440 0 40 HGAB COc1ccc(-c2cc(N3CCC(NC(=O)c4ccccc4OC)CC3)[nH]n2)cc1 98212764 XBXFGLYVTUAALO-UHFFFAOYSA-N 406.486 3.493 0 40 HGAB Cc1ccc(NC(=O)COC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3N2c2ncccn2)cc1C 95943785 PKQMHGGZQAOKAR-HOJAQTOUSA-N 408.502 3.413 0 40 HGAB CC[C@@H](C)[C@@H](NC(=O)c1ccc2nc[nH]c2n1)C(=O)Nc1cccc(N2CCCC2)c1 542603480 HXYXIBMBEDCFIA-FOIQADDNSA-N 420.517 3.341 0 40 HGAB CCS(=O)(=O)N(C)c1ccc(C(=O)NCCSCc2cccc(C)c2)cc1 408702424 FXKUDXXOPISAHU-UHFFFAOYSA-N 406.573 3.444 0 40 HGAB CC(C)n1cnc2nc(COc3ccc(NC(=O)c4ccccc4F)cc3)cc(=O)n21 21796980 ZZVWSBVHDPHRHR-UHFFFAOYSA-N 421.432 3.442 0 40 HGAB COc1ccccc1CNS(=O)(=O)c1ccc(NC(=O)N2CCCCC2)cc1 408588411 GAOXARRMFAHIJZ-UHFFFAOYSA-N 403.504 3.192 0 40 HGAB CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCCC(C)C)cc1 22271714 ZLFKFVJPSGNUEA-NRFANRHFSA-N 418.559 3.137 0 40 HGAB Cc1ccc(C)c(OCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1C 36394727 OEQDURIIRXFTAR-UHFFFAOYSA-N 405.516 3.091 0 40 HGAB COc1ccc(Cl)cc1N(CC(=O)N[C@H](C)c1ccc(F)cc1)S(C)(=O)=O 38772320 UUMMZYDNOKVUJJ-GFCCVEGCSA-N 414.886 3.131 0 40 HGAB C[C@@H](Oc1ccc(F)cc1Br)C(=O)N(C)Cc1ccc(C(N)=O)cc1 32637271 QVYKRADYWYEUKP-LLVKDONJSA-N 409.255 3.113 0 40 HGAB CCc1nnc(-c2ccc(OC)c(NC(=O)Cn3c(=O)oc4ccc(C)cc43)c2)o1 36752617 ZUQIWPNNMBCJGQ-UHFFFAOYSA-N 408.414 3.163 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2cnc(N3CCOCC3)cc2C)cc1 72219438 URQXLXLTYGTUPD-OAQYLSRUSA-N 415.559 3.451 0 40 HGAB Cc1ccc(C)c(C(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1 224420771 IZPQAPAHIGGKQF-UHFFFAOYSA-N 416.543 3.287 0 40 HGAB CC[C@H](C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)COc1ccccc1OC 225420959 PKEBLZCMUNCDEE-RBUKOAKNSA-N 412.530 3.449 0 40 HGAB COC(=O)c1cc(S(=O)(=O)N[C@@H](C)COc2ccc(C)c(C)c2)ccc1Cl 224637804 NNNWANCIRFCHNX-AWEZNQCLSA-N 411.907 3.489 0 40 HGAB Cc1ccc(SCCNC(=O)[C@@H](C)Oc2ccc(N(C)S(C)(=O)=O)cc2)cc1 224376070 NCUAIJZFWOOBFA-MRXNPFEDSA-N 422.572 3.067 0 40 HGAB Cc1ccc2c(c1)[C@H](NC(=O)c1cccc(N(C)S(C)(=O)=O)c1)CC(C)(C)O2 222422551 RPHGDJLMKDBDJV-GOSISDBHSA-N 402.516 3.423 0 40 HGAB COc1ccc(CN2CCC(NC(=O)Cc3cc(F)c(F)cc3F)CC2)cc1OC 95478331 CREBKTRRAYARQA-UHFFFAOYSA-N 422.447 3.444 0 40 HGAB CCOc1ccc(/C=C2/SC(=O)N(CCNC(=O)[C@H](C)CC)C2=O)cc1OC 98003442 QSCFDJUGHJPFAF-LVLBFHFTSA-N 406.504 3.293 0 40 HGAB Cn1cc(CC(=O)NC2CCN(c3cc(C(F)(F)F)ncn3)CC2)c2ccccc21 245173976 YEWVCPWZUYYODS-UHFFFAOYSA-N 417.435 3.315 0 40 HGAB CC1(C)[C@H](NC(=O)CCO)[C@@]23CCO[C@H](c4ccc(Cn5cccn5)cc4)[C@H]2C[C@@H]1C3 257203531 AQMGYWRYODKJKZ-AVVQQZOASA-N 423.557 3.312 0 40 HGAB Cc1cc(Nc2nc(C)c(C)s2)cc([C@H]2CN(C(=O)c3ccc(N)nc3)CCO2)n1 257212109 CBZSEJSFAGEWPH-GOSISDBHSA-N 424.530 3.398 0 40 HGAB Cc1csc(Nc2cc(C3CN(C(=O)/C=C/c4c(C)nn(C)c4C)C3)nc(C)n2)n1 585293105 WYTPVEQLEWTNSZ-VOTSOKGWSA-N 423.546 3.283 0 40 HGAB COc1ccc(-c2ccc(N3CCN(C(=O)c4cccs4)CC3)nn2)cc1OC 11027460 QWDIOZHMBCUGDT-UHFFFAOYSA-N 410.499 3.185 0 40 HGAB CCS(=O)(=O)N1C[C@@H](C(=O)Nc2cccc(OC(C)C)c2)Oc2ccccc21 13680072 YYPFFPIPIXADBN-IBGZPJMESA-N 404.488 3.030 0 40 HGAB COc1ccc(-c2noc([C@H]3CN(C(=O)CCOc4ccccc4C)CCO3)n2)cc1 19237389 IMMHNLSGUVWLJA-HXUWFJFHSA-N 423.469 3.423 0 40 HGAB COc1ccc(CN2CCC[C@H]([C@@H]3C[C@H](C(F)F)n4ncnc4N3)C2)c(OC)c1 19552272 BQIGBAVPBIFVPF-RRQGHBQHSA-N 407.465 3.198 0 40 HGAB CN1CCN(C(=O)[C@H]2CCCO2)C[C@H](Cc2ccccc2-c2cccc(F)c2)C1=O 19589584 OOOTXAJAUPRVEK-SIKLNZKXSA-N 410.489 3.131 0 40 HGAB CNc1cc(CNC(=O)C2(c3cccc(F)c3)CCOCC2)nc(-c2ccncc2)n1 19592315 ICCOOHCBMCUHGI-UHFFFAOYSA-N 421.476 3.084 0 40 HGAB CCCCNC(=O)C[C@@H](c1ccc(OC)cc1)N(C)S(=O)(=O)c1ccccc1 19935761 JCYCKQFQOVMCIY-FQEVSTJZSA-N 404.532 3.363 0 40 HGAB O=C([C@H]1CC(=O)N(c2ccccc2F)C1)N1CCN(c2ccccc2Cl)CC1 7106173 KUDLYIPNQUZQIU-HNNXBMFYSA-N 401.869 3.181 0 40 HGAB O=C(COC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)NCc1ccccc1 21763185 CYPPMHAFKOOMSO-UHFFFAOYSA-N 421.419 3.176 0 40 HGAB CCS(=O)(=O)c1cccc(C(=O)Nc2sc3c(c2C(N)=O)CCCCC3)c1 4585826 OULUYQMPQLUWEM-UHFFFAOYSA-N 406.529 3.162 0 40 HGAB COc1ccc(Cc2nnc(SCC(=O)Nc3cc(Cl)ccc3C)n2N)cc1 4916146 REAZXCUWBVORES-UHFFFAOYSA-N 417.922 3.284 0 40 HGAB CCOc1ccc(C)cc1S(=O)(=O)Nc1ccc2c(c1)C(=O)N(CC)CCO2 8961627 WWRJEFDZIUHJEU-UHFFFAOYSA-N 404.488 3.049 0 40 HGAB CC(C)(C)c1ccc(C(=O)NCCNC(=O)c2nc(-c3ccccc3F)no2)cc1 15082633 JJZFFBAYUXLNJW-UHFFFAOYSA-N 410.449 3.333 0 40 HGAB O=S(=O)(NC[C@H](O)c1ccc(-c2cccs2)s1)c1ccc2c(c1)CCO2 585147900 GUGPDMNFEYYEQZ-AWEZNQCLSA-N 407.538 3.423 0 40 HGAB CCOc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C(C(C)=O)=NN3c2ccc(Cl)cc2)cc1 100982829 XPFUFHULHQBIPD-HKUYNNGSSA-N 411.845 3.062 0 40 HGAB Cc1cc(CSc2ncccc2C(=O)N2CCC[C@H](C(=O)NCC(C)C)C2)no1 40121291 OKGKGKGOOALNJB-INIZCTEOSA-N 416.547 3.295 0 40 HGAB O=C(c1ccc(N2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1)N1CCN(c2ccccc2)CC1 101160276 DANKINSQQMKQRS-VXKWHMMOSA-N 417.509 3.329 0 40 HGAB COc1ccc2[nH]c(=O)c(CN(C[C@@H]3CCCO3)C(=S)NCC(C)C)cc2c1 880083 QEIFFCNKYGRVAH-SFHVURJKSA-N 403.548 3.048 0 40 HGAB CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCCc4ccccc43)nnc12 1331700 FJWOIIJRZHNQDP-UHFFFAOYSA-N 419.510 3.136 0 40 HGAB CCOC(=O)c1sc(NC(=S)NC(=O)C(C)(C)C)c(C(=O)OCC)c1C 2158784 ILHBTEQKYOUCQG-UHFFFAOYSA-N 400.522 3.269 0 40 HGAB O=C(Cn1c(=O)oc2cc(Cl)ccc21)N1CCN(c2cccc(Cl)c2)CC1 2927683 RKFBDWMAMICQKB-UHFFFAOYSA-N 406.269 3.250 0 40 HGAB CCOc1ccccc1Nc1nnc(SCC(=O)NC(=O)c2cccn2C)s1 3369537 CCRNZRXNXMVZOU-UHFFFAOYSA-N 417.516 3.068 0 40 HGAB aggregator COc1ccc(-c2nnc3ccc(SCC(=O)NCc4ccccc4)nn23)cc1 4164971 SXOQJBABCPNNFL-UHFFFAOYSA-N 405.483 3.208 0 40 HGAB COCCn1c(SCC(=O)N2CCCc3ccccc32)nc2ccccc2c1=O 4187650 INFSRXNXCAPNKQ-UHFFFAOYSA-N 409.511 3.114 0 40 HGAB COc1ccc(S(=O)(=O)NCCOc2ccc(C(=O)c3ccccc3)cc2)cc1 4727587 GWGZUPIKYGPWLU-UHFFFAOYSA-N 411.479 3.284 0 40 HGAB Cc1cc(NS(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3ccccc3)cc2)no1 4914245 MDXWEMYGHQJMFA-CQSZACIVSA-N 401.444 3.190 0 40 HGAB COc1ccccc1[C@H](C(=O)NC1CCCCC1)N(C(=O)c1csnn1)C1CC1 4965082 CWBQCRMTHCDALZ-LJQANCHMSA-N 414.531 3.342 0 40 HGAB Cc1ccc(NC(=O)CN2C(=O)C(C)(C)Oc3ccc(C(=O)NC(C)C)cc32)cc1 4965800 HJUQGQZJJMXRPL-UHFFFAOYSA-N 409.486 3.276 0 40 HGAB CCn1c(Cc2ccc(OC)cc2)nnc1S[C@H](C)C(=O)Nc1nnc(C)s1 4993403 NBZZXTLDZYTBTQ-LLVKDONJSA-N 418.548 3.177 0 40 HGAB CC(=O)Nc1sc(C)c(C)c1C(=O)O[C@H](C(=O)N1CCOCC1)c1ccccc1 5470976 BKEQTXQZNDCMAF-SFHVURJKSA-N 416.499 3.080 0 40 HGAB O=C(O)c1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3ON2c2ccccc2)cc1 5501522 WDMCEWNAISSDKL-QHAWAJNXSA-N 414.417 3.436 0 40 HGAB CCCCc1ccc(NC(=O)CN(c2cc(OC)ccc2OC)S(C)(=O)=O)cc1 6652933 VDHYSPGEJJUIEO-UHFFFAOYSA-N 420.531 3.451 0 40 HGAB Cc1cc(NC(=O)c2cc(S(=O)(=O)NCCc3ccccc3)c(C)s2)no1 6680221 MGSOJPHZWGLOGC-UHFFFAOYSA-N 405.501 3.126 0 40 HGAB CC1=C(CC(=O)NCC(=O)O)c2cc(F)ccc2/C1=C\c1ccc([S@](C)=O)cc1 6759748 YHIPTYHDOZQZLO-BQGSQNFOSA-N 413.470 3.482 0 40 HGAB CCOC(=O)c1c(CC(C)C)csc1NC(=O)CSc1nnc(C2CC2)n1N 8010867 JUGRIAVCIIYOMI-UHFFFAOYSA-N 423.564 3.037 0 40 HGAB O=C(OCc1cc(-c2ccccc2)on1)c1ccc(S(=O)(=O)N2CCCC2)cc1 8199589 CXWIDRVPNPAZKP-UHFFFAOYSA-N 412.467 3.483 0 40 HGAB CC(C)NC(=O)NC(=O)CSc1nc2ccccc2c(=O)n1[C@H](C)c1ccccc1 8852937 WWCZNLACAKESLS-OAHLLOKOSA-N 424.526 3.332 0 40 HGAB O=C(CNC(=O)[C@H]1CC(=O)N(c2cccc3ccccc23)C1)Nc1ccc(F)c(F)c1 9056554 VOFMIMCEGJNQLJ-HNNXBMFYSA-N 423.419 3.226 0 40 HGAB O=C(CSc1nnc(-c2c[nH]c3ccccc23)o1)NC[C@@H]1COc2ccccc2O1 9222847 UEUWPKNTUMSESZ-CYBMUJFWSA-N 422.466 3.266 0 40 HGAB COC(=O)c1cc(OC)c(OC)cc1NCC(=O)N[C@@H](C)c1ccc(Cl)cc1 9322947 VKHITBWSXHELIN-LBPRGKRZSA-N 406.866 3.433 0 40 HGAB CCN(Cc1cccs1)C(=O)CCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 9336862 UBGYZOUKFAFWMX-UHFFFAOYSA-N 407.499 3.152 0 40 HGAB Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H](C(=O)c2ccc(F)cc2)N2N=CC=C[C@H]32)c(C)c1 9460732 DVTFDSXQBSCZGK-NCYKPQTJSA-N 417.440 3.039 0 40 HGAB CCn1cc(C(=O)Nc2ccc(OC)cc2OC)c2nn(-c3ccccc3)c(=O)c-2c1 9661464 PPOCRUQGAXBXGS-UHFFFAOYSA-N 418.453 3.428 0 40 HGAB CC(C)COC(=O)N1C[C@@H](O)C[C@H]1C(=O)Nc1ccc(Cl)c(Br)c1 10128251 GJDVIORUAYWTBN-FZMZJTMJSA-N 419.703 3.269 0 40 HGAB COc1ccccc1[C@H](C)NC(=O)NCc1ccc(CS(=O)(=O)NC(C)C)cc1 10213147 XFKHYVDSIRPYQQ-INIZCTEOSA-N 419.547 3.083 0 40 HGAB CCOc1ccc([C@H]2c3c(-c4ccc(F)cc4)nnc(O)c3Nc3nnnn32)cc1 10232662 HFMUBUNHZYUYDG-SFHVURJKSA-N 405.393 3.068 0 40 HGAB O=C1N[C@@H](c2cccc(O)c2)[C@@H](C(=O)c2ccc(Cl)cc2)[C@@](O)(C(F)(F)F)N1 11614591 RDQLJCDEPOORFC-GRDNDAEWSA-N 414.767 3.150 0 40 HGAB CCn1c2cc(C)sc2c2cnn(CC(=O)NCCc3ccc(OC)cc3)c(=O)c21 12156929 GJPGLTMYUIPYMS-UHFFFAOYSA-N 424.526 3.109 0 40 HGAB COc1ccc(OC)c(NC(=O)CCNC(=O)N2CCc3c([nH]c4ccccc34)C2)c1 12296741 XBAXJPWDFIUJPV-UHFFFAOYSA-N 422.485 3.282 0 40 HGAB biogenic COCCn1c(N2CCN(c3ccccc3)CC2)nc2sc3c(c2c1=O)CCCC3 12324795 ZAVMTJBTVNMONV-UHFFFAOYSA-N 424.570 3.310 0 40 HGAB CCOC(=O)Nc1nc(CC(=O)NC2CCN(Cc3ccccc3)CC2)cs1 12440518 XJDVYYQHTVYPKU-UHFFFAOYSA-N 402.520 3.035 0 40 HGAB CC(C)CNc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cccs1 12526968 FTXQKEROUMYOQG-UHFFFAOYSA-N 423.560 3.089 0 40 HGAB O=S(=O)(Nc1ccc(N2CCCS2(=O)=O)cc1)c1ccccc1C(F)(F)F 12560986 DBQNCZMRHXZWHI-UHFFFAOYSA-N 420.434 3.046 0 40 HGAB Cc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)cc1 12901301 SUIICZMPDMAKPA-UHFFFAOYSA-N 412.555 3.201 0 40 HGAB COc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)cc1 12911396 KNTVFSUWLOJBBA-UHFFFAOYSA-N 414.527 3.223 0 40 HGAB C[C@@]1(c2ccc(OC(F)F)cc2)NC(=O)N(Cc2nnc(-c3ccccc3)o2)C1=O 13057907 JMLRKLYVTQEDTC-FQEVSTJZSA-N 414.368 3.305 0 40 HGAB CCOc1ccccc1NC(=O)CN1C[C@@H](C(=O)N2CCCCC2)Oc2ccccc21 15545964 UJCGMWOPCBBOJC-QFIPXVFZSA-N 423.513 3.304 0 40 HGAB COc1ccc(OC)c(NC(=O)CN(C)S(=O)(=O)c2ccc3ccccc3c2)c1 16188134 JCUKHAPWHMKMPR-UHFFFAOYSA-N 414.483 3.116 0 40 HGAB COc1cc(OC)cc(-c2noc(Cn3nc(-c4ccc(C)cc4)ccc3=O)n2)c1 16844792 DNVXLWLLFCOSMM-UHFFFAOYSA-N 404.426 3.334 0 40 HGAB C[C@@H](NC(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(F)cc1 16962460 WKIXXZIIYXHERW-MRXNPFEDSA-N 404.507 3.420 0 40 HGAB CN(CCOc1ccccc1)C(=O)CCn1cnc2sc3c(c2c1=O)CCCC3 17639781 VPUJCKSVUBNMJG-UHFFFAOYSA-N 411.527 3.264 0 40 HGAB Cc1cc2occ(CC(=O)N3CC[C@H](c4nc(-c5ncccn5)no4)C3)c2cc1C 19125396 UJTRAFBODAIOBR-HNNXBMFYSA-N 403.442 3.448 0 40 HGAB Cc1nc(C)n(C[C@H](C)C(=O)N2CCC[C@@H](c3nc(C)n4c(C)csc34)C2)n1 19240382 MHMWHZHZKINPRQ-YVEFUNNKSA-N 400.552 3.263 0 40 HGAB CCOCc1ccc(C(=O)N2CCC[C@@H]2c2n[nH]cc2-c2ccnc(N(C)C)n2)cc1 19531245 AOSMABOYRUJOEI-HXUWFJFHSA-N 420.517 3.447 0 40 HGAB COc1ccc(N2C[C@@H](C(=O)N3CCC[C@@H]3c3ccc(OC)cc3OC)CC2=O)cc1 19556323 DKAZKJJIPOHSFM-HRAATJIYSA-N 424.497 3.429 0 40 HGAB CN(C)CCN(Cc1ccc2c(c1)OCO2)C(=O)c1cc(-c2ccccc2F)no1 19582580 AKYUNXAFQOQLGV-UHFFFAOYSA-N 411.433 3.413 0 40 HGAB COc1ccc(-c2nc([C@H]3CCCN(C(=O)CC4CCCC4)C3)[nH]c2C(N)=O)cc1 19698962 GWGOPEOSULZGMT-KRWDZBQOSA-N 410.518 3.471 0 40 HGAB Cc1nc(C2CCN(Cc3cnn(C)c3C)CC2)nc2c1CCC(=O)N2C1CCCC1 19739489 SQTKGCVMKYATDP-UHFFFAOYSA-N 422.577 3.428 0 40 HGAB CCOC(=O)[C@@H]1C(=O)N(CCCOC)c2nc3ccccc3n2[C@@H]1c1cccs1 19818341 QRKXYFWLIXHTCD-ZWKOTPCHSA-N 413.499 3.250 0 40 HGAB CS(=O)(=O)N1CCC[C@H](C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 20017074 CHCJWKJGCYMNGL-VIFPVBQESA-N 418.359 3.334 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)Cc1ccc(Cl)cc1 20456891 KQQVOJBQXRAEQP-UHFFFAOYSA-N 408.907 3.314 0 40 HGAB C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1nnc(NC(=O)c2ccc(F)cc2)s1 20486265 QRMQEJPCHYSNLZ-LLVKDONJSA-N 418.475 3.069 0 40 HGAB CCOC(=O)[C@@H]1C(=O)N=C(N2CCc3ccccc3C2)N[C@@H]1c1ccc(CC)cc1 20636813 DZNASELIPNGVDN-LEWJYISDSA-N 405.498 3.014 0 40 HGAB COc1ccccc1N1CCN(c2ncnc3c2cnn3-c2ccc(F)cc2)CC1 20661929 DBMPNCBTGSGUJB-UHFFFAOYSA-N 404.449 3.290 0 40 HGAB CCCN1C(=O)[C@](NC(=O)Cc2ccccc2)(C(F)(F)F)N=C1c1ccccc1 20714263 YAHIQIHMUDXOKX-HXUWFJFHSA-N 403.404 3.303 0 40 HGAB Cn1cccc1[C@H](CNC(=O)C(=O)Nc1ccccc1F)N1CCc2ccccc2C1 21155636 VUDOBVUTERFMAT-QFIPXVFZSA-N 420.488 3.019 0 40 HGAB COc1cc(C(=O)Nc2cccc(SC)c2)c(N(C)S(C)(=O)=O)cc1OC 22251334 KYNBNHOJLOQOCM-UHFFFAOYSA-N 410.517 3.074 0 40 HGAB Cc1ccc(N(CC(=O)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)S(C)(=O)=O)cc1 22328021 KHAZOHWQHIXNHU-IBGZPJMESA-N 416.543 3.488 0 40 HGAB Cc1cc(C)c(N(CC(=O)NCCCc2ccc(F)cc2)S(C)(=O)=O)c(C)c1 22401102 BYFBYRZVIQSOTG-UHFFFAOYSA-N 406.523 3.266 0 40 HGAB CCOc1ccc([C@@H](c2sc3nc(C)nn3c2O)N2C[C@H](C)O[C@H](C)C2)cc1 22626741 LVCBFHAITIZIKM-AHIWAGSCSA-N 402.520 3.402 0 40 HGAB CCOc1ccc(NC(=O)C[C@@H]2C(=O)N(CCCOC)c3nc4ccccc4n32)cc1 23411165 DCTRDOPTRJWFBE-HXUWFJFHSA-N 422.485 3.388 0 40 HGAB O=C(Nc1cccc(C(F)(F)F)c1)[C@@H](NCCN1CCOCC1)c1ccccc1 23426121 SXDRCZWGAGEVLE-IBGZPJMESA-N 407.436 3.307 0 40 HGAB CCN(Cn1nc(-c2ccc(C(C)(C)C)cc2)n(C)c1=S)[C@@H]1CCS(=O)(=O)C1 24178804 FSFMPXAGNOHFKU-QGZVFWFLSA-N 422.620 3.382 0 40 HGAB Cc1cc(C)c(OCC(=O)N(C)CC(=O)N2c3ccccc3NC(=O)C[C@H]2C)c(C)c1 24716003 REYQFOUZXYYSTL-GOSISDBHSA-N 423.513 3.213 0 40 HGAB COc1ccc(OC)c(Nc2nnc(SCc3ccc(Cl)cc3)n(N)c2=O)c1 28535631 CJXPPKMMUXBQBT-UHFFFAOYSA-N 419.894 3.059 0 40 HGAB OCCOc1ccc(CNCc2ccccc2Cn2cccn2)c(Br)c1 29656470 JHSKXPNBFFYUIT-UHFFFAOYSA-N 416.319 3.355 0 40 HGAB O=C(/C=C/c1cnn(-c2ccccc2)c1)NC[C@H](c1ccc(F)cc1)N1CCOCC1 29931482 VLMKLQNOKOLQCY-ZWPAVUJESA-N 420.488 3.214 0 40 HGAB Cc1nn(-c2ncnc3[nH]cnc23)c2c1[C@@H](c1ccccc1OC(C)C)CC(=O)N2 31811754 ZIDUMMOQWHOEML-CQSZACIVSA-N 403.446 3.108 0 40 HGAB O=C(Nc1ccc2[nH]cc([C@H](C(=O)O)N3CCC[C@@H](C(=O)O)C3)c2c1)c1ccccc1 32102492 ULAGRRUPIPJJSS-FOIQADDNSA-N 421.453 3.343 0 40 HGAB Cc1ccc(N2C(SCCOc3ccccc3)=N[C@@H]3CS(=O)(=O)C[C@@H]32)c(C)c1 32640656 BJGQCMANGQNAJT-QUCCMNQESA-N 416.568 3.457 0 40 HGAB Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)OCc2ccc(C(F)(F)F)cc2)cc1 32829772 ZVRYBSXZJQMDSK-CYBMUJFWSA-N 401.406 3.424 0 40 HGAB CSc1ccc(N2C[C@H](C(=O)N(C)C[C@H]3COc4ccccc4O3)CC2=O)cc1 32909322 NHSLESHKLZXXOR-WBVHZDCISA-N 412.511 3.060 0 40 HGAB Cc1ccc(-c2noc(-c3ccc(=O)n(CC(=O)NCc4ccccc4)c3)n2)cc1 33293127 DLELKKGXAZTDEC-UHFFFAOYSA-N 400.438 3.190 0 40 HGAB COc1ccc(C(=O)C2CCN(Cc3nnnn3Cc3ccc(C)cc3)CC2)cc1 35314507 ZKLJKUVQIRFVCP-UHFFFAOYSA-N 405.502 3.133 0 40 HGAB O=C(Cc1cc(-c2ccc3c(c2)OCCO3)on1)N1CCN(c2ccccc2F)CC1 35592797 WTIUIEZZGOPXID-UHFFFAOYSA-N 423.444 3.143 0 40 HGAB CN(C)S(=O)(=O)c1ccc(COc2ccc(C(=O)NC3CCCCC3)cc2)o1 36360695 AUMHRLDUEWSWJH-UHFFFAOYSA-N 406.504 3.171 0 40 HGAB CCc1ccc(S(=O)(=O)NCCCCN2CCO[C@@H](c3ccccc3)C2)s1 36700404 KJYRDJOFFWBQSG-LJQANCHMSA-N 408.589 3.443 0 40 HGAB COc1ccc(N[C@@H](C)C(=O)N2CCN(Cc3ccccc3)CC2)cc1OC(F)F 42642730 OWZPCKRSPWXWBN-INIZCTEOSA-N 419.472 3.441 0 40 HGAB O=C(Nc1nnc(-c2ccccn2)s1)N[C@H](CN1CCCC1=O)c1ccccc1 47791282 JYVRXXDOMPPPJK-MRXNPFEDSA-N 408.487 3.085 0 40 HGAB CC1(C)NC(=O)N(Cc2ccc(CNC(=O)c3csc(-c4ccco4)n3)cc2)C1=O 48230847 AXUZJQMBEMCGRH-UHFFFAOYSA-N 424.482 3.164 0 40 HGAB COc1ccc2c(c1)CCN=C2C[C@H]1CN(C(=O)c2cccnc2)CC[C@H]1CC(=O)O 49590463 OOUAAAHKPXHMDV-LPHOPBHVSA-N 421.497 3.079 0 40 HGAB biogenic,in-vitro CN(Cc1ccccc1F)C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 52606170 VWGVIZSXXFPLEG-UHFFFAOYSA-N 404.507 3.201 0 40 HGAB O=S(=O)(NC1CCN(Cc2ccc(F)c(F)c2)CC1)c1c(F)cccc1F 55649772 LEFRWYVGPMDLNY-UHFFFAOYSA-N 402.413 3.186 0 40 HGAB O=C(NCC1(c2ccc(Cl)cc2Cl)CCOCC1)[C@@H]1CC(=O)N(C2CC2)C1 55762344 IRXLYAOTMYEKFK-CYBMUJFWSA-N 411.329 3.169 0 40 HGAB COCCOc1ccc([C@H](C)NC(=O)N2CCCN(C(C)(C)C)CC2)cc1OC 58178223 KUQMLHHSCXXRLO-KRWDZBQOSA-N 407.555 3.297 0 40 HGAB CCn1c(SCC(=O)Nc2nnc(CC(F)(F)F)o2)nnc1-c1cccs1 58315208 KZSRXTRQXZIZSN-UHFFFAOYSA-N 418.426 3.245 0 40 HGAB O=C(CN1CCC(n2c(=O)oc3ccc(Cl)cc32)CC1)NCCc1ccccc1 72347893 GCXAZOUZBDIWFQ-UHFFFAOYSA-N 413.905 3.244 0 40 HGAB Cc1cccc(C)c1OCC(=O)N1CCC([C@@H]2C[C@H](C(F)F)n3ncnc3N2)CC1 72395688 JSKRZJBGSDOPNI-DLBZAZTESA-N 419.476 3.203 0 40 HGAB Cc1c(C)c(C)c(S(=O)(=O)NC[C@@](C)(O)c2ccc3c(c2)OCO3)c(C)c1C 77184627 NDIXEBOZMBWXPH-OAQYLSRUSA-N 405.516 3.143 0 40 HGAB COC(=O)c1nc(NC(=O)C[C@H]2NC(=O)c3ccccc32)sc1Cc1ccccc1 79476677 RHPVBGOSIWUTPS-MRXNPFEDSA-N 421.478 3.334 0 40 HGAB Cc1nc(C(=O)NC2CCN(CCOc3ccc(Br)cc3)CC2)cs1 84271981 WTCIBIQTFZVAMX-UHFFFAOYSA-N 424.364 3.487 0 40 HGAB C[C@H]1Oc2ccccc2O[C@@H]1C(=O)N1CCC(Oc2cnc3ccccc3n2)CC1 90678526 BJKMMFXMNPFVGF-QRQCRPRQSA-N 405.454 3.228 0 40 HGAB COCC(=O)Nc1c[nH]nc1[C@H]1CCCN(Cc2ncc(-c3ccccc3C)o2)C1 96000128 IVYGFYSDJZVCNP-INIZCTEOSA-N 409.490 3.338 0 40 HGAB Cc1cccc(NC(=O)N2CCC3(CC2)C(=O)N(C)CCN3Cc2ccccc2)c1 96230323 YFDHDMZRUXNPHT-UHFFFAOYSA-N 406.530 3.336 0 40 HGAB O=C([C@H]1CC(=O)N(c2n[nH]c3cccc(F)c23)C1)N1CCC(c2ccccc2)CC1 96344318 BLCBRAZGJFOTHU-KRWDZBQOSA-N 406.461 3.461 0 40 HGAB COc1cccc(C(=O)N2CCN(c3cc(-c4ccc(F)cc4)n[nH]3)CC2)c1OC 98211806 VTVKQQQVPQKUSE-UHFFFAOYSA-N 410.449 3.195 0 40 HGAB COC(=O)/C(=C/Nc1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(C)c(C)c1 100025880 SOGKIXDCLCGWJQ-UNOMPAQXSA-N 405.472 3.221 0 40 HGAB CC(=O)N1CCc2nc3cc([C@@H]4CCCCN4Cc4ccccc4C)nn3c(O)c2C1 100242980 FKYNTFFEZVIMGE-QFIPXVFZSA-N 419.529 3.375 0 40 HGAB O=S(=O)(N=[S@@](=O)(c1ccc(N2CCCC2)cc1)C(F)(F)F)C(F)(F)F 102643265 FSTSVBPRTYCNJJ-XMMPIXPASA-N 410.361 3.483 0 40 HGAB O=C(CN1C(=O)S/C(=C\c2coc3ccccc3c2=O)C1=O)Nc1ccccc1 106701196 YVQVHIHHDRXJEX-YVLHZVERSA-N 406.419 3.468 0 40 HGAB CC1(C)O[C@H]2C[C@H]3[C@@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@]2(C(=O)CO)O1 118917796 GYZQGDLMCLYUQG-KXNTZKRISA-N 404.547 3.372 0 40 HGAB CCc1ccc(N([C@@H](C)C(=O)Nc2cc(C(=O)OC)ccc2C)S(C)(=O)=O)cc1 220271805 NYJCNCCTKXQGRM-HNNXBMFYSA-N 418.515 3.137 0 40 HGAB C[C@@H](C(=O)Nc1nnc(-c2ccccc2)s1)N(c1ccccc1F)S(C)(=O)=O 223249236 QINAYEBXDUFVID-LBPRGKRZSA-N 420.491 3.137 0 40 HGAB O=C(O)c1cccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCO)o2)c1 223593337 NMGGAEQRYSCUNS-MOPGFXCFSA-N 409.467 3.005 0 40 HGAB Cc1cc(Cl)ccc1N(CC(=O)NCCc1ccc(Cl)cc1)S(C)(=O)=O 223675738 MQGDXOSGXANVJE-UHFFFAOYSA-N 415.342 3.427 0 40 HGAB Cc1ccccc1OCCNC(=O)CN(c1ccc(C(C)(C)C)cc1)S(C)(=O)=O 224056167 MZSODUUSDXRJCC-UHFFFAOYSA-N 418.559 3.254 0 40 HGAB CCCC[C@@H](CC)CNC(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O 224115767 QOGIVNFUWOCQIY-MRXNPFEDSA-N 412.552 3.294 0 40 HGAB CCCCCNC(=O)c1ccc(CN(C)S(=O)(=O)c2ccc(OC)cc2)cc1 224439945 RNMVJTYWGSBAOF-UHFFFAOYSA-N 404.532 3.436 0 40 HGAB CS(=O)(=O)N(CC(=O)Nc1ccc(N2CCCCC2)cc1)c1cccc(F)c1 224951164 RKYDHZDBMVSUIG-UHFFFAOYSA-N 405.495 3.221 0 40 HGAB COc1ccc(S(=O)(=O)N[C@H]2C[C@H]3CC[C@H]2C3)cc1C(=O)N1CCC(C)CC1 251759640 TYXUKVAKBFILET-BXWFABGCSA-N 406.548 3.034 0 40 HGAB CN(Cc1ccc(OCCCN2CCCC2=O)cc1)C[C@H](O)COC1CCCCC1 257244359 IKYWNUVXKMUZPM-NRFANRHFSA-N 418.578 3.220 0 40 HGAB NCCOc1ccc(C(=O)N2[C@@H](Cc3ccccc3)C[C@H]3NCCCCC[C@@H]32)cc1 257291630 QHXIGBUYFMSLTP-QTJGBDASSA-N 407.558 3.382 0 40 HGAB Cc1cc(C)cc(N2C[C@H](C(=O)Oc3cccc(N4C(=O)CCCC4=O)c3)CC2=O)c1 408649862 ALIXNEJTTLXVHV-QGZVFWFLSA-N 420.465 3.305 0 40 HGAB CC(C)N1C[C@@H](C(=O)Nc2cc(C(F)(F)F)ccc2OC[C@@H]2CCCO2)CC1=O 408706713 CORHFKUWPDVVKP-ZFWWWQNUSA-N 414.424 3.459 0 40 HGAB CCOc1ccc(N([C@H](C)C(=O)NCc2ccccc2Cl)S(C)(=O)=O)cc1 409130202 IRMWHAPEPGXYKP-CQSZACIVSA-N 410.923 3.210 0 40 HGAB CC(=O)Nc1c(OCc2cccc(S(=O)(=O)N(C)C)c2)n(C)c2c(C)cccc12 566704359 PMQCLKCCZDPPPX-UHFFFAOYSA-N 415.515 3.274 0 40 HGAB C[C@]1(O)CN(S(=O)(=O)Cc2ccc(F)cc2)CC[C@@H]1Oc1cccc(Cl)c1 585262232 NHBDBFSUXRVRLB-OALUTQOASA-N 413.898 3.213 0 40 HGAB COCCn1cc2c3c(cccc31)NC1=C(C(=O)N(C(C)=O)C1)[C@@H]2c1ccccc1 1547139728 YVPUMWCHVJYLTP-OAQYLSRUSA-N 401.466 3.488 0 40 HGAB biogenic O=C(C1CCC(F)(F)CC1)N1CCC(Oc2ncc(Br)cn2)CC1 1888843109 WTCNEJOKTXNMFZ-UHFFFAOYSA-N 404.255 3.434 0 40 HGAB Cc1noc(C)c1CCC(=O)N1CC[C@@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@H]21 1889136060 SXBICTRMXKTSPT-RHSMWYFYSA-N 408.424 3.375 0 40 HGAB CCOCCCNC(=O)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccccc2C)C1 8217324 VWJMQDJACJAHTK-SFHVURJKSA-N 423.513 3.143 0 40 HGAB O=C(CN1C(=O)NC2(CCCC2)C1=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 8327465 VZEDYUKYXDFJAN-IBGZPJMESA-N 411.889 3.410 0 40 HGAB COC(=O)[C@H](CCSC)NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(Cl)cc1 20720599 PUPYAGPYOHNTNW-DOTOQJQBSA-N 422.938 3.015 0 40 HGAB Cc1ccc(NC(=O)C[S@](=O)CC(=O)N[C@@H](C)CCc2ccco2)cc1Cl 4355073 MIKYFTKIPFTRAX-PWFNWSNSSA-N 410.923 3.066 0 40 HGAB aggregator CCOCCCNC(=S)N1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1 4967005 SGBITSSLZOCNAP-UHFFFAOYSA-N 408.568 3.372 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(F)cc3F)C2)cc1 6170518 HGELNHACWFQUPE-CYBMUJFWSA-N 410.442 3.013 0 40 HGAB Cc1cccc(C(=O)NC(=S)Nc2ccccc2N2CCN(C(=O)C(C)C)CC2)c1 6256550 UHBBRQNUMBXGIU-UHFFFAOYSA-N 424.570 3.426 0 40 HGAB CC(C)c1ccc(C(=O)N2CCN(C[C@@H](O)COc3ccccc3F)CC2)cc1 32772172 QVUOYICDZCANMG-HXUWFJFHSA-N 400.494 3.147 0 40 HGAB CCN(C(=O)COC(=O)C12C[C@H]3C[C@@H](CC(NC(C)=O)(C3)C1)C2)C1CCCCC1 102281919 GWFHTRZZHVQLRW-YUOVDFJASA-N 404.551 3.186 0 40 HGAB CCOC(=O)C1=C(COC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)NC(=O)N[C@@H]1c1ccccc1 102318763 ZTYTWCASOROXFL-JKXYVKTPSA-N 412.486 3.227 0 40 HGAB O=C(NCCNc1nc2ccccc2s1)[C@H]1CCCN1C(=O)C1CCCCC1 52564432 QZFCACHJLRFYGP-QGZVFWFLSA-N 400.548 3.396 0 40 HGAB CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C)c2ccccc2Br)cc1 8088475 SNJJJEFHPGRXGL-GFCCVEGCSA-N 411.321 3.238 0 40 HGAB CC[C@@]1(c2ccc(C)cc2)NC(=O)N([C@@H](C)C(=O)Nc2ccc(NC(C)=O)cc2)C1=O 8157392 SMTCETWMXIQQBF-WNSKOXEYSA-N 422.485 3.138 0 40 HGAB COc1ccc(-c2cc(C[C@H]3CNCC[C@H]3CC(=O)NCc3cccnc3)no2)cc1 8623728 NISIZRFSDRQIPP-PMACEKPBSA-N 420.513 3.220 0 40 HGAB biogenic,in-vitro CN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)N(Cc2ccc(Cl)cc2)C1=S 2729440 ILVMLBWJPQUTOK-MRXNPFEDSA-N 405.882 3.435 0 40 HGAB CC(=O)NCc1ccc(S(=O)(=O)Oc2ccc3c(C(C)C)cc(=O)oc3c2)cc1 21821649 FOPYAMLIDGRIIH-UHFFFAOYSA-N 415.467 3.320 0 40 HGAB COc1ccc(NC(=O)NCCC(=O)OCc2cc(Cl)c3c(c2)OCCO3)cc1 21954350 ZTJYTHRKNBMUEO-UHFFFAOYSA-N 420.849 3.375 0 40 HGAB Cc1ccc(S(=O)(=O)Nc2c(C(=O)N3CCOCC3)oc3ccccc23)cc1 9881810 JVJNIWIPHAEEIN-UHFFFAOYSA-N 400.456 3.014 0 40 HGAB CC(=O)c1cc2c(cc1NC(=O)c1ccccc1I)OCO2 683032 BLBMVPHNNGUQHL-UHFFFAOYSA-N 409.179 3.475 0 40 HGAB CCOc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3c(C)cccc3C)CC2=O)cc1 21094182 VBQPGQJRXFZZMG-QGZVFWFLSA-N 410.470 3.237 0 40 HGAB COc1cccc(C(=O)Nc2nc3ccc(S(=O)(=O)NCC(C)C)cc3s2)c1 937617 CKOWZQWOOMYWEX-UHFFFAOYSA-N 419.528 3.492 0 40 HGAB CCOc1ccc2nc(NC(=O)CN3CCN(Cc4ccccc4)CC3)sc2c1 23477210 MCSUTPAEHVDXRB-UHFFFAOYSA-N 410.543 3.451 0 40 HGAB Cc1cc2nc(CSc3nc4sc5c(c4c(=O)n3C)CCCC5)cc(=O)n2o1 20332294 BFAAKVCVFDKACP-UHFFFAOYSA-N 414.512 3.075 0 40 HGAB COc1ccccc1C(=O)NC(=O)COC(=O)c1ncc(Cl)c(Cl)c1Cl 24771024 ZNCYPJLTECTGLS-UHFFFAOYSA-N 417.632 3.164 0 40 HGAB COc1ccc(-c2cc(C(=O)NC[C@H](c3cccs3)N3CCOCC3)no2)cc1 19796728 ZVIUKXLWOCYOHG-GOSISDBHSA-N 413.499 3.215 0 40 HGAB CN(C)S(=O)(=O)c1cccc(C(=O)OCc2nc3ccccc3n2C(F)F)c1 12506355 NUIOONAPXIWUSQ-UHFFFAOYSA-N 409.414 3.039 0 40 HGAB O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccncc1)c1ccc(F)cc1 12551951 SQGIJKSUPFIKHO-QFIPXVFZSA-N 416.456 3.360 0 40 HGAB CCOc1ccc(CN(C)Cn2nc3n(C)c(=O)c4ccccc4n3c2=S)cc1 12563807 GFFPEGSTQKZTCY-UHFFFAOYSA-N 409.515 3.205 0 40 HGAB O=S1(=O)CC[C@@H](N(Cc2ccccc2)Cn2ncn(-c3ccccc3)c2=S)C1 12514928 KZLDQFSRCYXTDW-LJQANCHMSA-N 414.556 3.050 0 40 HGAB COc1ccc(OC)c(N(CC(=O)O)S(=O)(=O)c2cc(Cl)ccc2Cl)c1 113894203 AVTKNIRZJRQHQJ-UHFFFAOYSA-N 420.270 3.291 0 40 HGAB O=C(Cn1c(=O)n(-c2cc(F)cc(F)c2)c(=O)c2sccc21)Nc1ccccc1 57429048 VSGGGBWGJKHBAS-UHFFFAOYSA-N 413.405 3.131 0 40 HGAB CCOc1ccc(N(CC(=O)N[C@@H](CC)c2ccc(OC)cc2)S(C)(=O)=O)cc1 20105051 SWFNTWPJLSHGMP-FQEVSTJZSA-N 420.531 3.127 0 40 HGAB C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1Cc1cc(Cl)c2c(c1)OCCCO2 27556630 VWXUUEPSZGVYQD-LBPRGKRZSA-N 408.907 3.100 0 40 HGAB CCN(CC)[C@H](CNC(=O)CCCNC(=O)c1ccsc1)c1cccc(OC)c1 12728438 WFXPTHDJAWTIEZ-HXUWFJFHSA-N 417.575 3.466 0 40 HGAB Cc1cc(Cl)ccc1NC(=O)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 12741031 ZTRRBZIWXINXJL-MRXNPFEDSA-N 408.907 3.358 0 40 HGAB CS(=O)(=O)N1C[C@@H](C(=O)Nc2cccc(Cl)c2)Oc2ccc(Cl)cc21 20106335 HDYGUMQJUVNVCV-HNNXBMFYSA-N 401.271 3.159 0 40 HGAB O=C([C@H]1CCCN(c2nc(-c3ccsc3)nc3ccccc23)C1)N1CCOCC1 12740856 SWFALEYJLKUFAK-INIZCTEOSA-N 408.527 3.434 0 40 HGAB O=C(COc1ccc2ccc(=O)oc2c1)N1CCN(Cc2ccc(Cl)cc2)CC1 12932582 LVNCFPAQOSSFQE-UHFFFAOYSA-N 412.873 3.170 0 40 HGAB CCCCCNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1cc(C)ccc1OC 20007279 OFYMANKYWRMFRT-IBGZPJMESA-N 418.559 3.200 0 40 HGAB CCc1ccccc1NC(=O)[C@H]1CCN(S(C)(=O)=O)c2cc(Cl)ccc2O1 38833688 HKOWLVDBEAHSQD-GOSISDBHSA-N 408.907 3.458 0 40 HGAB C[C@H](C(=O)NCC(F)(F)F)N(c1ccccc1)S(=O)(=O)c1cccc(F)c1 49580982 IYJNOFFBSQSYIF-GFCCVEGCSA-N 404.385 3.088 0 40 HGAB O=C(c1ccccc1-n1cnnn1)N(Cc1cccs1)c1ccc2c(c1)OCCO2 14069170 LEPCRYHTCCVTTP-UHFFFAOYSA-N 419.466 3.342 0 40 HGAB CCCCn1c(=O)[nH]c(=O)c2c1nc(COC(=O)c1cc(C)cc(C)c1)n2CCC 6509604 CYPCGWXOBJWQSC-UHFFFAOYSA-N 412.490 3.070 0 40 HGAB O=C(COc1ccc2c3c(c(=O)oc2c1)CCCC3)N1CCN(c2ccccc2)CC1 6660527 BZBSGYZRRITVBT-UHFFFAOYSA-N 418.493 3.399 0 40 HGAB COc1ccc(NC(=O)c2cccc(N3C(=O)C(C)(C)CS3(=O)=O)c2)cc1Cl 15858656 OXSYOCZJQJGFBV-UHFFFAOYSA-N 422.890 3.304 0 40 HGAB CCOc1ccc(-c2cc3c(=O)n(Cc4nc(-c5ccccn5)no4)ccn3n2)cc1 16842694 VQOSHYQWMQDGGS-UHFFFAOYSA-N 414.425 3.055 0 40 HGAB CCOC(=O)[C@@](C)(NCC(=O)N1N=C(c2ccco2)C[C@H]1c1ccco1)C(C)C 72308602 BKZMGJSMYVXBBE-KKSFZXQISA-N 401.463 3.118 0 40 HGAB O=C(Cn1nc(-c2ccco2)ccc1=O)N1CCc2[nH]c3ccc(Cl)cc3c2C1 72402347 LUXQUHIODOLAIL-UHFFFAOYSA-N 408.845 3.223 0 40 HGAB CC(C)Oc1cc(Br)ccc1C(=O)NCCS(=O)(=O)C(C)(C)C 79051499 SKZPXYPOGFOXAX-UHFFFAOYSA-N 406.342 3.179 0 40 HGAB Cc1ccc(C)c(N2C[C@H](C(=O)Oc3ccc(N4C(=O)CCC4=O)c(C)c3)CC2=O)c1 408644800 SZXXCQGQORHJIU-QGZVFWFLSA-N 420.465 3.224 0 40 HGAB CC[C@@H](Oc1ccccc1OC)C(=O)Nc1ccccc1C(=O)NCCCOC 408681197 PXCVJTJELBYNTJ-GOSISDBHSA-N 400.475 3.258 0 40 HGAB COCCOc1ccc(S(=O)(=O)NCc2ccccc2COC(C)C)cc1C 32831142 WHFGQXCMIKETBE-UHFFFAOYSA-N 407.532 3.424 0 40 HGAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)N3CCN(C)CC3)ccc2Cl)c1C 409410821 QPXUMZBVHGULEV-UHFFFAOYSA-N 421.950 3.145 0 40 HGAB COc1ccc(-c2cc(C(=O)N[C@H](C)c3cnn(C)c3C)c3c(C)nn(C)c3n2)cc1 36613351 AARJUCSABOGDBJ-CYBMUJFWSA-N 418.501 3.485 0 40 HGAB CCOC(=O)Nc1cc(S(=O)(=O)Nc2cccc(NC(C)=O)c2)ccc1OCC 408585335 DUJWOAJZWDXZPD-UHFFFAOYSA-N 421.475 3.413 0 40 HGAB COC(=O)[C@H](NC(=O)N1CCc2[nH]cnc2[C@H]1c1cc(Cl)ccc1F)C(C)C 36601528 ULLHXMBKRXYFJM-NVXWUHKLSA-N 408.861 3.057 0 40 HGAB O=S(=O)(Nc1ccc(-c2noc(C(F)(F)F)n2)cc1)c1c[nH]c2ncccc12 524017247 CLBRXQYPXFNZBS-UHFFFAOYSA-N 409.349 3.433 0 40 HGAB CCN(CC)C(=O)CN1CCC[C@@H]1c1nc(C)c2c(n1)N(CCC(C)C)C(=O)CC2 72371119 JMXBUJWLTKUDMY-LJQANCHMSA-N 415.582 3.116 0 40 HGAB COc1cccc2c1ccn2CC(=O)Nc1ccc(N2CCCCS2(=O)=O)cc1 71281818 WNORGJKIZDKCDM-UHFFFAOYSA-N 413.499 3.219 0 40 HGAB Cc1ccc2c(c1)C(=O)C[C@]1(CCC(=O)N([C@H](C)C(=O)Nc3nccs3)CC1)O2 72328045 RZTDMDQTBPZNMN-SPLOXXLWSA-N 413.499 3.195 0 40 HGAB COc1ccc(-c2cnc(N)nc2[C@@H]2CCCN(C(=O)Cc3ccccn3)C2)cc1 72346058 GUMXXDOJTVHSMX-QGZVFWFLSA-N 403.486 3.078 0 40 HGAB CCSc1nnc(NC(=O)CN(c2ccc(C)c(Cl)c2)S(C)(=O)=O)s1 225278241 NEOWEAIPMQIVTM-UHFFFAOYSA-N 420.969 3.017 0 40 HGAB CCOc1cc(/C=C/C(=O)Nc2cccc(S(=O)(=O)NC)c2)cc(Cl)c1OC 40087966 CIIGBNMWFAOAKS-CMDGGOBGSA-N 424.906 3.307 0 40 HGAB CCOC(=O)c1ccc(NC(=O)[C@@H](c2ccccc2)N(C)S(C)(=O)=O)cc1Cl 225744098 KDKCTXDMCZECSA-QGZVFWFLSA-N 424.906 3.088 0 40 HGAB CC[C@@H](C(=O)NCCc1ccc(F)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O 224300985 WMCHDLADVUARJV-SFHVURJKSA-N 412.914 3.383 0 40 HGAB COc1ccc(Cl)cc1S(=O)(=O)N(C)Cc1cc(OC)c(OC)c(OC)c1 223006091 AYOSKJOURQPRJY-UHFFFAOYSA-N 415.895 3.195 0 40 HGAB Cc1ccc(CN(CC(=O)NCCSCc2ccccc2C)S(C)(=O)=O)cc1 225396308 ZUUMXWNZCXDXLT-UHFFFAOYSA-N 420.600 3.115 0 40 HGAB COc1ccccc1OCC(=O)N(CCc1ccccc1)[C@H](C)C(=O)NC(C)(C)C 223094873 XYCIUHJPHZCYJA-GOSISDBHSA-N 412.530 3.449 0 40 HGAB CC(=O)c1cccc(NS(=O)(=O)c2nnc(NC(=O)c3ccc(C)cc3)s2)c1 224939945 CINYGALIXURKQK-UHFFFAOYSA-N 416.484 3.102 0 40 HGAB CCOC(=O)c1c(C)[nH]c(C(=O)N[C@H](C)c2cc(OC)c(OC)c(OC)c2)c1C 40111807 WUZABKUALDCFMT-GFCCVEGCSA-N 404.463 3.325 0 40 HGAB CC(C)Oc1ccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)cc1 225507836 IHQQJPOXLZPVDE-IBGZPJMESA-N 416.543 3.191 0 40 HGAB Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1C(=O)C(=O)N1C[C@H](C)OC[C@H]1C 45448629 IIIHNUGFOMTYCA-NEPJUHHUSA-N 409.408 3.326 0 40 HGAB COc1ccc([C@@H](CC(=O)Nc2cccc(C(F)(F)F)c2)NS(C)(=O)=O)cc1 225956036 HFSSHSUQAHZSSL-MRXNPFEDSA-N 416.421 3.333 0 40 HGAB Cc1cc(N2CCC(C)CC2)nc(NC(=S)NCc2ccc3c(c2)OCCO3)n1 226015578 SPXLSQPDASEILJ-UHFFFAOYSA-N 413.547 3.279 0 40 HGAB CC(C)Oc1cccc(N(CC(=O)NCc2ccccc2Cl)S(C)(=O)=O)c1 220106724 LSPRMBIJKOMVBH-UHFFFAOYSA-N 410.923 3.210 0 40 HGAB CC(C)(C)OC(=O)N1Cc2ccccc2[C@H](C(=O)NCc2cc3c(nc2O)CCC3)C1 1584937737 PNTYWDBLADKLHR-LJQANCHMSA-N 423.513 3.427 0 40 HGAB CNC(=O)c1sc2nccnc2c1C1CCN(C(=O)c2cc(F)cc(F)c2)CC1 257216115 CTDQQGURMBLEOR-UHFFFAOYSA-N 416.453 3.349 0 40 HGAB Cc1nc([C@H]2CCCN(C(=O)c3cccc(F)c3)C2)nc(C)c1CC(=O)N1CCCC1 257225904 FIHSYKROWXZEFR-IBGZPJMESA-N 424.520 3.417 0 40 HGAB CCS(=O)(=O)c1ccc([C@@H](C)NS(=O)(=O)CCc2ccccc2Cl)cc1 1622120541 ZJRNGVYLXAZDOD-CQSZACIVSA-N 415.964 3.357 0 40 HGAB Cc1nc(Nc2ncccc2C)cc([C@@H]2CCCN2C(=O)/C=C/c2ccnn2C)n1 585293072 WBFMVQZALWVIDS-SGQUHAKNSA-N 403.490 3.342 0 40 HGAB Cc1nc(-c2ccc(CNC(=O)CCN3C(=O)[C@H]4CC=CC[C@H]4C3=O)s2)cs1 100799325 GYZWNJJELJPBSY-GASCZTMLSA-N 415.540 3.138 0 40 HGAB CC(=O)Nc1cccc([C@@H]2CN(Cc3scnc3C)C[C@]23CCCCC(=O)N3)c1 1615155016 JHGHJAIZJRESRG-SIKLNZKXSA-N 412.559 3.438 0 40 HGAB CC(=O)Nc1ccc(-c2ccc(=O)n3c2[C@@H]2C[C@@H](CN(C(=O)C(C)(C)C)C2)C3)cc1 5437771 LYDNXEMQSVWDMU-FUHWJXTLSA-N 407.514 3.466 0 40 HGAB biogenic,in-vitro Cc1cc(-c2cnc(N3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)nc2-c2ccco2)on1 12184458 REEKIYDADKSWIO-CVEARBPZSA-N 415.453 3.485 0 40 HGAB CC(C)[C@@H](NS(=O)(=O)c1ccccc1)C(=O)Nc1ccc(Br)cc1 12939452 WFPNUPSAOIYOTM-MRXNPFEDSA-N 411.321 3.391 0 40 HGAB O=C(CSC(=S)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)c1ccc(F)cc1 13572436 IFCJACWAGYCTHQ-DZGCQCFKSA-N 402.516 3.308 0 40 HGAB CCN1CCN(C(=O)c2nnc3c(-c4cccc5ccccc45)c(C)nn3c2C)CC1 14607676 ISFZHJHVXWNFKC-UHFFFAOYSA-N 414.513 3.339 0 40 HGAB CCCCNc1nnc(SCC(=O)N2CCN(Cc3ccccc3)CC2)s1 14800091 FGINYFGNJUGVGX-UHFFFAOYSA-N 405.593 3.187 0 40 HGAB Cc1ccccc1[C@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 14936329 BHZNVQIBJBSVSH-DLBZAZTESA-N 404.507 3.412 0 40 HGAB O=C(NCCOc1ccccc1)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl 16009587 UMFQNXDAFLPSNU-UHFFFAOYSA-N 422.934 3.323 0 40 HGAB COc1ccc(Cl)cc1NC(=O)[C@@H](C)n1nc(-c2cccs2)cc(N)c1=O 19080495 WUVPHFOTTJGQRC-SNVBAGLBSA-N 404.879 3.416 0 40 HGAB COc1ccccc1CN1CCC[C@](Cc2ccccc2-c2cncnc2)(C(N)=O)C1 19570203 CPIROQMMDIVEPV-RUZDIDTESA-N 416.525 3.462 0 40 HGAB Cc1nc(-c2cccc(NC(=O)CCc3ccc(S(N)(=O)=O)cc3)c2)cs1 19603369 RRAMAALDYVJODK-UHFFFAOYSA-N 401.513 3.337 0 40 HGAB CNc1nc([C@H]2CCCN2)nc2c1CN(C(=O)CCc1nc3ccccc3s1)CC2 19710815 VUUPYZBTVPWHHV-QGZVFWFLSA-N 422.558 3.070 0 40 HGAB O=S(=O)(Cc1ccc(C(F)(F)F)cc1)NCC1CCN([C@H]2CCSC2)CC1 252550536 SQSSCLUVOQEHNC-KRWDZBQOSA-N 422.538 3.342 0 40 HGAB COc1cccc(NC(=O)C(=O)c2cn(CC(=O)N3CCCCC3)c3ccccc23)c1 3015427 KECDRZMYLLBSFY-UHFFFAOYSA-N 419.481 3.484 0 40 HGAB CCc1nnc(NC(=O)CSc2ccc3nnc(-c4ccc(C)cc4)n3n2)s1 5068609 NYOTYYYCBLIJND-UHFFFAOYSA-N 411.516 3.244 0 40 HGAB COc1ccc(-c2nnc(SCC(=O)Nc3ccc(C)cc3C)n2N)cc1OC 5257271 TXZAADCDFLYFDF-UHFFFAOYSA-N 413.503 3.024 0 40 HGAB COc1ccc(NC(=O)CSc2nnc3n2CCN3c2ccccc2)c(OC)c1 9573909 QGUGPQOFDHQAEB-UHFFFAOYSA-N 411.487 3.178 0 40 HGAB O=S(=O)(NCc1ccc([C@H](O)c2ccccc2)s1)c1ccc2c(c1)OCCO2 207971642 HKJBBIBGLQNFRB-HXUWFJFHSA-N 417.508 3.080 0 40 HGAB CCOCCCNC(=O)c1c(N)n(-c2ccc(F)cc2)c2nc3ccccc3nc12 5100881 NCIZAWOTUOXWFG-UHFFFAOYSA-N 407.449 3.451 0 40 HGAB Cc1nc2sc([C@H](c3ccc(Br)cc3)N3CCC(O)CC3)c(O)n2n1 23157009 GXSWVIOECWTQAR-AWEZNQCLSA-N 423.336 3.113 0 40 HGAB CCc1cccc(C)c1NC(=O)COC(=O)c1ccc(NC(=O)/C=C(/C)C(=O)O)cc1 13579296 KRXRLHVBJXZLRH-QINSGFPZSA-N 424.453 3.322 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)N(C[C@H]1CCOC1)C1CC1 40098535 DBQRJOWPOGPCFK-QGZVFWFLSA-N 421.563 3.202 0 40 HGAB Cc1cc(N2CCN(C(=O)Nc3ccc4c(c3)OCCCO4)CC2)nc(C(C)C)n1 40103837 RAFTVVMQEWNKJU-UHFFFAOYSA-N 411.506 3.424 0 40 HGAB COCCOc1cc(NC(=O)[C@@H]2CCCN(c3ccc(Cl)nn3)C2)ccc1OC 40133632 HSHKCZSSOJACFU-CQSZACIVSA-N 420.897 3.019 0 40 HGAB O=C(c1cc2ccccc2cc1OC[C@H](O)COc1ccccc1)N1CCOCC1 30533067 DGDHOKGAUBODSB-HXUWFJFHSA-N 407.466 3.131 0 40 HGAB Cc1cc(C)nc(SCc2nnc(SCC(=O)N[C@H]3CCCC[C@@H]3C)n2C)n1 883010 MRGFORVBXMKRCO-WFASDCNBSA-N 420.608 3.301 0 40 HGAB NC(=O)c1ccc(NC(=O)COC(=O)c2cc(-c3ccco3)nc3ccccc23)cc1 2655391 YQGMHWLHYCMRAP-UHFFFAOYSA-N 415.405 3.389 0 40 HGAB CCCc1nnc(NC(=O)C[C@@H](NC(=O)C(F)(F)F)c2ccc(OC)cc2)s1 2758042 DGQSNCRTFDBNET-GFCCVEGCSA-N 416.425 3.248 0 40 HGAB COc1cc(OC)cc(C(=O)N[C@H](C(=O)Nc2nc3c(s2)CCCC3)C(C)C)c1 3367346 NLGTYESGQHFIOM-SFHVURJKSA-N 417.531 3.432 0 40 HGAB O=C(CNS(=O)(=O)c1ccc2ccccc2c1)OCC(=O)c1c[nH]c2ccccc12 3379062 NTBCLWAICCJKQT-UHFFFAOYSA-N 422.462 3.026 0 40 HGAB CCn1c(=O)c(=O)[nH]c2cc(C(=O)Nc3ccc(Br)c(C)c3)ccc21 3403580 CTUYWDFNORZELD-UHFFFAOYSA-N 402.248 3.033 0 40 HGAB CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)c2cc(C)n(C[C@@H]3CCCO3)c2C)C1=O 3453973 AGEXLUAZHVHRBN-CYFREDJKSA-N 423.513 3.324 0 40 HGAB COc1cc(NC(=O)COC(=O)c2ccccc2Br)cc(OC)c1OC 3506788 OREYRLHQRBODLB-UHFFFAOYSA-N 424.247 3.270 0 40 HGAB COc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3ccc4c(c3)OCO4)n2C)cc1 4520257 QZYSXYHIJHKLNE-LBPRGKRZSA-N 412.471 3.339 0 40 HGAB CS(=O)(=O)c1cccc(-c2nnc(NC(=O)c3ccc4ncsc4c3)o2)c1 4585678 FVDFYJWTDHVRCF-UHFFFAOYSA-N 400.441 3.002 0 40 HGAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1cc(F)c(F)cc1Cl 5615799 JIHROEDTIXZBJA-UHFFFAOYSA-N 404.822 3.129 0 40 HGAB COc1cc(/C=C/C(=O)OCC(=O)Nc2ccc(C)c(F)c2)cc(OC)c1OC 5779444 WCFTWNCAAPYISP-SOFGYWHQSA-N 403.406 3.355 0 40 HGAB O=C(c1cc2c(s1)CCCCC2)N1CCN(S(=O)(=O)c2ccccc2F)CC1 5823850 CFHRNBSVZATJPU-UHFFFAOYSA-N 422.547 3.303 0 40 HGAB O=C(Nc1cccc(S(=O)(=O)N2CCCCCC2)c1)c1ccc2c(c1)OCO2 6111627 IGENPHVTHRUQCB-UHFFFAOYSA-N 402.472 3.232 0 40 HGAB Cc1noc(C)c1COC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 6417822 ZOXJEMMAOMJBLJ-UHFFFAOYSA-N 412.467 3.400 0 40 HGAB NCCC[C@H](C(=O)O)N(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1 6575067 GPDVPIBLHRILLM-GOSISDBHSA-N 400.431 3.154 0 40 HGAB Cc1c(C(=O)N2CCN(c3ncccn3)CC2)oc2ccc(Br)cc12 6627831 AQODRNYLQRRVIO-UHFFFAOYSA-N 401.264 3.256 0 40 HGAB CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)Cc1ccccc1 6886855 ZTGJMHGXEFVZGA-UHFFFAOYSA-N 402.516 3.441 0 40 HGAB CN(C)C(=O)[C@@H](Sc1nc(O)c2cnn(-c3ccccc3)c2n1)c1ccccc1 6930417 WCFNGSPYJNETNS-KRWDZBQOSA-N 405.483 3.443 0 40 HGAB CCn1c(S[C@@H](C)C(=O)c2ccc(F)cc2)nc2cc(S(N)(=O)=O)ccc21 6977130 ORKCBYNAQAEOST-NSHDSACASA-N 407.492 3.206 0 40 HGAB CCOc1ccc(NC(=O)NC(=O)COC(=O)Cc2ccc(F)cc2)cc1OCC 7514372 ANPYXRSCNGMVJK-UHFFFAOYSA-N 418.421 3.057 0 40 HGAB Cc1cc(Br)ccc1NC(=O)CNC(=O)CN(C)Cc1ccsc1 7927122 QUUXCXWJBUFDED-UHFFFAOYSA-N 410.337 3.006 0 40 HGAB COc1ccc(/C=C/C(=O)N[C@@H](C)C(=O)OCc2cn3cc(Cl)ccc3n2)cc1 7942624 JQESNRJBLJPYSB-SEIPJRMCSA-N 413.861 3.258 0 40 HGAB O=C(c1ccc(-n2cccc2)cc1)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 8132195 IURLXPAVXSXBCT-XDHOZWIPSA-N 421.522 3.236 0 40 HGAB CC(=O)c1ccc(N2CCN(C(=O)c3ccccc3N3CCCC3=O)CC2)c(F)c1 8704899 WOQWKOBVKQPUCT-UHFFFAOYSA-N 409.461 3.118 0 40 HGAB COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NC2CCCC2)cc1OC 8725669 RRPPZXMZFKOJFN-UHFFFAOYSA-N 404.488 3.177 0 40 HGAB COc1cccc(N2CCN(C(=O)c3csc(NC(=O)c4ccccc4)n3)CC2)c1 8808424 IWMJMPMQVUKLDG-UHFFFAOYSA-N 422.510 3.366 0 40 HGAB O=C(Nc1ccccc1N1CCOCC1)[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1 9367837 LVZYOXSAQGKRCN-QGZVFWFLSA-N 413.905 3.164 0 40 HGAB COc1ccc(C(=O)OCc2nc(N)c3c(C)c(C)sc3n2)c(OC)c1OC 10391275 ACLOPYUZSBBPDI-UHFFFAOYSA-N 403.460 3.273 0 40 HGAB C[C@@H](CCc1ccccc1)NC(=O)[C@H](C)Sc1n[nH]c(=O)n1CCc1ccccc1 10414272 BOECYPVZLIVGIN-ROUUACIJSA-N 424.570 3.432 0 40 HGAB CC1CCN(c2nc3c(c(=O)[nH]2)CN(Cc2nc4ccccc4n2C(C)C)CC3)CC1 12116271 APEIYVBIJNDPHN-UHFFFAOYSA-N 420.561 3.495 0 40 HGAB COc1ccc2c(c1)OC1(CCN(C(=O)[C@@H](C)c3ccc(C)cc3)CC1)CNC2=O 12225994 GKBAWWUNYKJMRN-KRWDZBQOSA-N 408.498 3.291 0 40 HGAB NC(=O)c1cc2cc(F)ccc2nc1[C@@H]1CCCN(C(=O)CCc2cccnc2)C1 12256253 QHIKPGDZMIKQOK-MRXNPFEDSA-N 406.461 3.207 0 40 HGAB COc1cccc(CC(=O)N2CCC(c3nnc(O)cc3-c3cc(C)no3)CC2)c1 13226310 OOEUKLJYLXXRSX-UHFFFAOYSA-N 408.458 3.103 0 40 HGAB Cc1ccc(-c2ccc(=O)n(CCCNC(=O)[C@H](C)Oc3ccccc3F)n2)cc1 13801263 ZKCVJHZVUYKYBI-KRWDZBQOSA-N 409.461 3.332 0 40 HGAB CCOCCn1/c(=N\C(=O)c2ccccc2S(C)(=O)=O)sc2cccc(F)c21 14060049 LUUZOIXUZVMRDO-XUTLUUPISA-N 422.503 3.023 0 40 HGAB Cc1c(Cl)cccc1NC(=O)CNC(=O)C[C@H]1Sc2ccccc2NC1=O 14136136 YDNJFMRKCAIHIG-MRXNPFEDSA-N 403.891 3.206 0 40 HGAB COc1cc(/C=C2\SC(=N)NC2=O)c(Br)c(Br)c1O 16194694 VDNUMUSOBVWXRD-UTCJRWHESA-N 408.071 3.064 0 40 HGAB Cc1ccc([C@@H]2CCCN2C(=O)[C@@H](C)N2C(=O)c3ccccc3S2(=O)=O)cc1C 19213665 MGNCUTDXKNTOQF-APWZRJJASA-N 412.511 3.200 0 40 HGAB CCn1ncc(Cl)c1C(=O)NC1CCN(CC2(c3ccc(OC)cc3)CC2)CC1 19523997 KMBYSXYHSISSNU-UHFFFAOYSA-N 416.953 3.491 0 40 HGAB Cc1cccc(CN(CCc2ccccc2)C(=O)c2cnc3cc(C)nn3c2N)n1 19715618 ZMRQJMXWZYJXGL-UHFFFAOYSA-N 400.486 3.208 0 40 HGAB O=C(COc1ccc(S(=O)(=O)NC2CCCC2)cc1)Nc1ccc(F)c(F)c1 20019342 QKHYZLPZJFFQAH-UHFFFAOYSA-N 410.442 3.203 0 40 HGAB CC(C)NS(=O)(=O)c1ccc(CCC(=O)N[C@@H]2CCCc3ccccc32)cc1 20023616 DWFNSQRPEWOTHB-OAQYLSRUSA-N 400.544 3.500 0 40 HGAB Cc1ccc(NC(=O)Cn2c(=O)cc(C(=O)N3CCCC3)c3ccccc32)cc1C 20394722 ALMFYHBXEOUGFC-UHFFFAOYSA-N 403.482 3.493 0 40 HGAB Cc1cc(C)n2c(S[C@@H]3CC(=O)N(c4cccc(Cl)c4C)C3=O)nnc2n1 20799446 YATHSORMBQZWRL-CQSZACIVSA-N 401.879 3.127 0 40 HGAB CC(C)Oc1ccc(CCCNC(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)cc1 22335530 XTECJBXGAGPXPH-UHFFFAOYSA-N 422.522 3.128 0 40 HGAB O=C(CCN1CCN(Cc2ccsc2)CC1)Nc1ccc(N2CCCC2=O)cc1 22786945 LIUNXFPUSNZKFO-UHFFFAOYSA-N 412.559 3.021 0 40 HGAB CCCCc1nnc(NC(=O)c2ccc(Cl)c(S(=O)(=O)NC3CC3)c2)s1 23364167 SDVGRBBXWVFDOL-UHFFFAOYSA-N 414.940 3.227 0 40 HGAB CN1CCc2nc(NC(=O)[C@H]3CCCN(C(=O)c4ccc(Cl)cc4)C3)sc2C1 23607801 RCQRSQXTMFUIIK-AWEZNQCLSA-N 418.950 3.275 0 40 HGAB Cc1nnc(SCC(=O)N2CCN(Cc3ccc(C(C)C)cc3)CC2)n1C1CC1 23732551 BQUPQCFBNZWRJP-UHFFFAOYSA-N 413.591 3.481 0 40 HGAB CNC(=O)c1ccc(CN(C(=O)COc2ccc(Br)cc2)C2CC2)cc1 24746331 WYFMLCWULRDLRM-UHFFFAOYSA-N 417.303 3.379 0 40 HGAB CC(C)(C)c1ccc(C(=O)N2CCN(Cc3nc(N)c4ccccc4n3)CC2)cc1 25107506 OBJWEVGMOCIGFK-UHFFFAOYSA-N 403.530 3.468 0 40 HGAB COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(N3CCCC3=O)cc2)c1 26534640 UKVVPTRJYHICNF-UHFFFAOYSA-N 408.863 3.054 0 40 HGAB Cc1ccc([C@@H](NC(=O)Cn2c(=O)[nH]c3ccccc3c2=O)c2ccccc2)cc1C 29023178 SDSCNUZJMVJTLT-QHCPKHFHSA-N 413.477 3.212 0 40 HGAB CN1CCN(c2ccc(Cl)cc2NC(=O)CCCNC(=O)c2ccsc2)CC1 32727352 XHCNICCLYDNQOH-UHFFFAOYSA-N 420.966 3.302 0 40 HGAB NC(=O)[C@H]1CN(C(=O)c2cccc(OCc3ccc(F)cc3)c2)c2ccccc2O1 32727742 NWXUTIVFDGHJSK-OAQYLSRUSA-N 406.413 3.298 0 40 HGAB COc1ccc([C@H](NC(=O)NCc2cnn(-c3ccccc3)c2)c2nccn2C)cc1 32809221 BUKURZZVSZLSOL-NRFANRHFSA-N 416.485 3.203 0 40 HGAB CCOC(=O)N1CCC(Nc2nc(-c3ccc(NS(C)(=O)=O)cc3)cs2)CC1 32932964 YPTUEOWONOYCGQ-UHFFFAOYSA-N 424.548 3.214 0 40 HGAB O=C(Nc1ccc(F)cc1)c1cc(-c2cccs2)n([C@@H]2CCS(=O)(=O)C2)n1 33325441 CIDYNZIEVXKZQO-CQSZACIVSA-N 405.476 3.363 0 40 HGAB COc1ccc(CNC(=O)CSc2nnc(NC(=O)c3cccs3)s2)cc1 35311286 JDFBLRWIJZDVBS-UHFFFAOYSA-N 420.541 3.269 0 40 HGAB COc1ccccc1CNC(=O)c1csc(Nc2ccc(S(C)(=O)=O)cc2)n1 35596785 BMCDWSZUSUVZKR-UHFFFAOYSA-N 417.512 3.229 0 40 HGAB CCOC(=O)c1ccn(-c2cccc(NC(=O)c3cc4ccccc4oc3=O)c2)n1 40093523 XRAQJQRSXMDAMV-UHFFFAOYSA-N 403.394 3.408 0 40 HGAB Cc1oc(C(=O)N(Cc2ccccc2F)C2CC2)cc1S(=O)(=O)N1CCCC1 40131333 IVXIFTLRCGASAQ-UHFFFAOYSA-N 406.479 3.316 0 40 HGAB CCCCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)Nc1ccc(OC)cc1 40309018 KCAQQVAOHHZFII-HSZRJFAPSA-N 407.470 3.413 0 40 HGAB biogenic COCc1nn2c(ncc3c(=O)n([C@@H](C(=O)O)C(C)C)ccc32)c1-c1ccc(F)cc1 40397146 YWENJAGVKPHKLC-LJQANCHMSA-N 424.432 3.278 0 40 HGAB COc1ccc([C@H](C)NC(=O)[C@@H](C)N(c2cc(C)ccc2C)S(C)(=O)=O)cc1 44883238 OQVVTYVCCDKLPO-DLBZAZTESA-N 404.532 3.344 0 40 HGAB COC(=O)Cn1c2c(sc1=O)[C@@H](c1ccc(F)cc1)CC(=O)N2c1ccccc1 49548148 XZPCWUOOUMFVGA-MRXNPFEDSA-N 412.442 3.422 0 40 HGAB O=C(CN1CCC(C(=O)NC2CC2)CC1)N[C@@H](c1ccc(F)cc1)C1CCCC1 55911927 RARMVJWIORODAB-JOCHJYFZSA-N 401.526 3.164 0 40 HGAB O=C(CN1CCN(C(=O)c2ccco2)CC1)Nc1ccc(N2CCCCCC2)cc1 58172415 QTSIBSHMUMXBKU-UHFFFAOYSA-N 410.518 3.057 0 40 HGAB COc1ccccc1C[C@@H]1CCCN1CC(=O)N1CCc2cc(OC)c(OC)cc2C1 58441234 KABBWVBJPYNDIN-NRFANRHFSA-N 424.541 3.304 0 40 HGAB CC(=O)Nc1cc(-c2ccccc2)nn(CC(=O)Nc2c(C)cc(C)cc2C)c1=O 64604857 VGSKJTNAVQUFNI-UHFFFAOYSA-N 404.470 3.433 0 40 HGAB COCCn1cnc2c(-c3ccccc3)cn(CC(=O)Nc3cccc(F)c3)c2c1=O 65113580 ZWIQIMOADLANSL-UHFFFAOYSA-N 420.444 3.289 0 40 HGAB COc1ccc(NC(=O)C2=NN(CC(=O)Nc3ccc(C(C)C)cc3)C(=O)CC2)cc1 67336719 HEIGNTZBADLTBP-UHFFFAOYSA-N 422.485 3.374 0 40 HGAB O=C(Cn1nc2c3ccccc3nc(C3CC3)n2c1=O)N1CCC[C@@H]2CCCC[C@H]21 72347202 PKTBIENOZPBPLP-HNAYVOBHSA-N 405.502 3.103 0 40 HGAB CN(C)c1ncc(-c2cccc(Cl)c2)c([C@H]2CCCCN2S(=O)(=O)N(C)C)n1 72376644 MVHDAUDIAYIEKQ-QGZVFWFLSA-N 423.970 3.196 0 40 HGAB CN(C)C(=O)Cc1ccccc1NC(=O)N[C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C 79067863 SMMZETBOEMZKRQ-QZTJIDSGSA-N 418.538 3.275 0 40 HGAB CCC(=O)N1N=C(c2ccc(NS(C)(=O)=O)cc2)C[C@@H]1c1cccc(OC)c1 79112330 ZRSJZVDJJORBHM-LJQANCHMSA-N 401.488 3.154 0 40 HGAB Cc1ccc(S(=O)(=O)Nc2cnc(N3CCN(c4ccccc4)CC3)nc2)c(C)c1 90584136 GZSMRICNPJDAAH-UHFFFAOYSA-N 423.542 3.221 0 40 HGAB O=C(CCc1ccc2ccccc2c1)NCC(=O)N1CCN(Cc2ccccc2)CC1 95393526 KBFKQQPTOQNPCC-UHFFFAOYSA-N 415.537 3.233 0 40 HGAB COc1ccc(-c2noc(-c3nc(-c4cc(OC)c(OC)c(OC)c4)no3)n2)cc1 98212360 WLAOVIRJTLBXPC-UHFFFAOYSA-N 410.386 3.488 0 40 HGAB CC(C)(C)OC(=O)[C@H]1C(=O)C[C@@](C)(O)[C@H](C(=O)OC(C)(C)C)[C@H]1c1ccc(O)cc1 101998741 IAIPIVRRJFSQNH-DWKCODDLSA-N 420.502 3.115 0 40 HGAB CN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)O)cc1 102575477 QLFFGWSTOJENHR-RTBURBONSA-N 416.499 3.341 0 40 HGAB Cc1ccc(NC(=O)[C@@H](C)N(C)CC(=O)N2c3ccccc3NC(=O)C[C@H]2C)cc1 104101281 TXEINPWGEWCKEY-IAGOWNOFSA-N 408.502 3.018 0 40 HGAB CC[C@@H](Oc1cc(Cl)ccc1Cl)C(=O)NN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 104562507 GXXDUYNDEJDOHA-ASAMYOCWSA-N 411.285 3.213 0 40 HGAB CCc1ccccc1NC(=O)[C@@H](C)N(c1cc(OC)ccc1OC)S(C)(=O)=O 220206341 LNYQOPTVFRBBTP-CQSZACIVSA-N 406.504 3.059 0 40 HGAB COCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)COc1ccccc1Cl 222878587 VYOKAFJAMNUBNP-HNNXBMFYSA-N 422.884 3.038 0 40 HGAB Cc1cc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)ccc1OCC(=O)N(C)C 223245607 QUKLIEZWNMDCFD-UHFFFAOYSA-N 400.859 3.055 0 40 HGAB Cc1ccc(OC[C@H](C)NC(=O)c2ccc(N3CCCCS3(=O)=O)cc2)cc1C 224386375 KZJIFCBDSOJRSX-SFHVURJKSA-N 416.543 3.431 0 40 HGAB COc1ccc(OCCNC(=O)c2ccc(C)cc2I)cc1 225030117 YMHUXMLPYRULDM-UHFFFAOYSA-N 411.239 3.417 0 40 HGAB CC(C)CCNC(=O)CCc1nc(-c2ccc(I)cc2)no1 225840034 PCNUHJILCIWGSZ-UHFFFAOYSA-N 413.259 3.436 0 40 HGAB CCOC[C@]1(C(N)=S)[C@@H](c2ccc(F)cc2)[C@H]1S(=O)(=O)c1ccc(C)cc1 252514297 BUUMHSSGLPSRSN-NSHGMRRFSA-N 407.532 3.383 0 40 HGAB C[C@H](C(=O)Nc1ccc(N2CCCCC2)c(F)c1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O 253372457 FKTFUYNLGPEGAQ-LOHHBASGSA-N 413.493 3.174 0 40 HGAB Cc1nc2c(C)cccc2cc1C(=O)N1CCC[C@@H](CC(=O)NCCn2ccnc2)C1 257278885 OECDUPFQEUECGQ-IBGZPJMESA-N 419.529 3.107 0 40 HGAB CCNC(=O)COc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1 408555567 XOXLSRHKEHUBNM-UHFFFAOYSA-N 403.287 3.309 0 40 HGAB COc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NCC(C)C)c2)c(OC)c1 408597043 VWUIIRNJONNCFP-UHFFFAOYSA-N 406.504 3.199 0 40 HGAB COCCNC(=O)c1cc(S(=O)(=O)Nc2cccc(Cl)c2Cl)ccc1C 408600765 CHWOBSNEGLNBRA-UHFFFAOYSA-N 417.314 3.479 0 40 HGAB COc1ccc(Cl)cc1S(=O)(=O)N[C@H](C)C(=O)NC1CCCCCCC1 408611774 WJZNLMDJBJLZKH-CYBMUJFWSA-N 402.944 3.245 0 40 HGAB COc1ccc(NC(=O)COc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)cc1 408626216 VABYWONWZNBHEF-UHFFFAOYSA-N 418.515 3.133 0 40 HGAB CS(=O)(=O)N(CC(=O)NCc1ccccc1Cl)c1ccc(F)c(Cl)c1 409408113 IQPPGSJCZVOGTC-UHFFFAOYSA-N 405.278 3.215 0 40 HGAB O=C(Nc1nnc2n1CCCC2)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 507890357 VSMSMTRUQZBYRD-AWEZNQCLSA-N 408.289 3.165 0 40 HGAB O=C(c1cc(-c2cccs2)[nH]n1)N1CCC[C@@H](n2cnc3ccccc3c2=O)C1 575615625 FFZRNSVNCBAIQX-CQSZACIVSA-N 405.483 3.325 0 40 HGAB COCCN(C[C@H]1CC2(CCN(C(=O)c3cc(C)ccc3O)CC2)CO1)C(C)C 585103759 IXODWEODOPNORX-LJQANCHMSA-N 404.551 3.069 0 40 HGAB CCCCCCN[C@@H]1C[C@@H](O)[C@H](CO)[C@H]1Cc1ccnc(-c2ccccc2F)n1 604382121 FVTWZUBKQZTLDL-UGESXGAOSA-N 401.526 3.353 0 40 HGAB biogenic,in-vitro O=C(COCc1ccccc1)N1C[C@@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@@H]2C1 1888869719 VSIWPYJJOWIVQT-CALCHBBNSA-N 405.420 3.212 0 40 HGAB O=C(Cc1noc2ccccc12)N1CCC(Oc2ncc(-c3ccncc3)cn2)CC1 1889264317 AXGUBIWZXWYCOQ-UHFFFAOYSA-N 415.453 3.292 0 40 HGAB Cc1ccsc1S(=O)(=O)N1C[C@@H]2CCC[C@H](N(C)Cc3ccncc3)[C@H]2C1 2055746504 PRDYSQBZBYIOJO-FHWLQOOXSA-N 405.589 3.373 0 40 HGAB COc1ccc2cc(CN(C[C@H]3CCCO3)C(=S)NCC(C)C)c(=O)[nH]c2c1 879745 ZCKQNDYOONSQSH-GOSISDBHSA-N 403.548 3.048 0 40 HGAB Cc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(Cl)cc3)CC2=O)cc1C 1289347 ZRRSKWUPXUDGDS-HNNXBMFYSA-N 400.862 3.492 0 40 HGAB O=C(NC1CCCC1)[C@H](c1ccccn1)N(C(=O)c1csnn1)c1ccccc1 1356999 YUXGVCQOLWZCOD-IBGZPJMESA-N 407.499 3.380 0 40 HGAB COc1cc(Br)c(C[C@@H](NC=O)c2ccc3c(c2)OCO3)cc1OC 1611707 BRVRJJFZDQRSGY-CQSZACIVSA-N 408.248 3.225 0 40 HGAB CCN(CC)CCNC(=O)c1ccc(OS(=O)(=O)c2cc(C)ccc2C)cc1 60389438 ZSCAKLFWTZXPBI-UHFFFAOYSA-N 404.532 3.143 0 40 HGAB CC(C)(C)c1ccc(NC(=O)c2ccccc2S(=O)(=O)N2CCOCC2)cc1 32645080 UEPMURMZVVSVIG-UHFFFAOYSA-N 402.516 3.257 0 40 HGAB CC1(C)O[C@@H]2O[C@@H](C(=O)Oc3ccc4ccccc4c3)[C@H]3OC(C)(C)O[C@H]3[C@H]2O1 4303716 ZDCHMLLJWMHZBP-ZIVNCQHPSA-N 400.427 3.142 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)CSc2ccc(OC)cc2)cc1 7129222 CADRIGMQLHVTIC-UHFFFAOYSA-N 408.545 3.457 0 40 HGAB COc1cc(NC(=O)[C@@H](NC(=O)c2cc(OC)cc(OC)c2)C(C)C)cc(OC)c1 2630480 QKOYTUNQJYUUQZ-FQEVSTJZSA-N 416.474 3.114 0 40 HGAB CNc1nn(-c2nc(C)cc(C)n2)c2c1C(=O)C[C@H](c1ccc(OC)cc1OC)C2 10157219 XGNCQQQFQOYCND-CQSZACIVSA-N 407.474 3.251 0 40 HGAB O=C(Nc1cccc2ncccc12)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 9305689 ACKBRPBRCYDYKI-HNNXBMFYSA-N 413.474 3.413 0 40 HGAB CCOc1ccccc1NC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OC)cc1OC 641179 BAXUHNCURLEAQD-HXUWFJFHSA-N 411.458 3.369 0 40 HGAB O=S1(=O)CC[C@H](Cc2nnc(SCc3ccc(F)cc3Br)o2)C1 22479121 AFEWOHYKDIKHOM-SECBINFHSA-N 421.313 3.241 0 40 HGAB Cc1ccc([C@H]2C[C@H](C(F)(F)F)n3nc(C(=O)N4CCN(C)CC4)cc3N2)cc1 33927165 HNWWNDJRBHIJHJ-NVXWUHKLSA-N 407.440 3.239 0 40 HGAB CC(C)COC(=O)[C@H]1C(=O)C[C@@](C)(O)[C@H](C(=O)OCC(C)C)[C@@H]1c1ccc(F)cc1 102006706 XPJNTNUMQIGRLO-QTDGGUCWSA-N 422.493 3.264 0 40 HGAB C[C@H](Sc1ccccc1)C(=O)N1CCN([C@@H](C(N)=O)c2ccc(Cl)cc2)CC1 24061610 ZCCGNYJPZBVBNN-HNAYVOBHSA-N 417.962 3.191 0 40 HGAB CN(C)C(=O)CSc1nc2ccc(N3C(=O)[C@H]4CCCC[C@H]4C3=O)cc2s1 108895489 DTDPXUDVPCIIKZ-BETUJISGSA-N 403.529 3.156 0 40 HGAB O=C(O)c1cccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)OCC(F)(F)C(F)F)c1 1446327 ZFLJYPCTGLQGNP-CHWSQXEVSA-N 403.328 3.349 0 40 HGAB CCC[C@@H](C)NC(=O)c1cc(S(=O)(=O)NCC(C)C)ccc1Br 25241470 HYCDPWOMUSHQEQ-GFCCVEGCSA-N 405.358 3.302 0 40 HGAB Cc1sc2nc(CN3CCOCC3)nc(NCc3ccc4c(c3)OCO4)c2c1C 25266461 ATSBZZCJWDXOPC-UHFFFAOYSA-N 412.515 3.481 0 40 HGAB O=C(/C=C/c1ccc(Br)o1)N1CCN(C(=O)Oc2ccccc2)CC1 57254179 DORMCBFRIVHUGW-VQHVLOKHSA-N 405.248 3.399 0 40 HGAB Cc1ccccc1-n1c(=O)c2sccc2n(CC(=O)N2C[C@H](C)C[C@@H](C)C2)c1=O 57489686 WLXRRRHQEKSAJL-HUUCEWRRSA-N 411.527 3.027 0 40 HGAB COc1ccc(S(=O)(=O)Oc2ccc(C3SCCS3)cc2)cc1C(N)=O 26754762 ZOJWRVBNYVMWPS-UHFFFAOYSA-N 411.526 3.040 0 40 HGAB Cc1cc(NC(=S)NC(=O)c2ccc(Br)cc2)cc(C(=O)O)c1O 20151956 QLNRTFUQWAOAIJ-UHFFFAOYSA-N 409.261 3.288 0 40 HGAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccc(F)c(F)c2F)cc1Cl 20016210 DXKLOQDRAYMCCU-QMMMGPOBSA-N 422.812 3.071 0 40 HGAB COc1cc(I)c(Cl)cc1C(=O)N[C@@H](C)[C@H]1CCCO1 27907161 ZHQUFHFOSMGGQA-QPUJVOFHSA-N 409.651 3.251 0 40 HGAB CCOc1ccccc1C(=O)NC[C@@H](c1ccc(Cl)cc1)N1CCN(C)CC1 28287463 RDVSZDJWEQGXAO-FQEVSTJZSA-N 401.938 3.457 0 40 HGAB CC[C@@H](C)NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1cc(C)ccc1OC 408585180 CGJVWOSEYTUUNN-OAHLLOKOSA-N 408.495 3.253 0 40 HGAB COc1cc(C(=O)OCC(=O)Nc2ccccc2OC(F)F)cc(OC)c1OC 3282269 VEVRGLIVLJGABT-UHFFFAOYSA-N 411.357 3.109 0 40 HGAB Cc1cc(Cl)ccc1NC(=O)COC(=O)c1ccc(=O)n(Cc2ccccc2)n1 23074570 SHGPHCYCRSDXLS-UHFFFAOYSA-N 411.845 3.049 0 40 HGAB O=C(Nc1ccccc1O)C1CCN(C(=O)[C@H]2COc3ccc(Cl)cc3C2)CC1 12771572 LRMLLNWQBWWKQQ-MRXNPFEDSA-N 414.889 3.474 0 40 HGAB Cc1cc(C(=O)CSc2nnc(N)s2)c(C)n1Cc1ccc2c(c1)OCO2 3415731 FFYCGVKBLXAFJD-UHFFFAOYSA-N 402.501 3.291 0 40 HGAB O=C(Cc1csc(COc2ccc(F)cc2)n1)NC[C@@H]1COc2ccccc2O1 12902041 YAYMQDXMHRIXIG-QGZVFWFLSA-N 414.458 3.360 0 40 HGAB CC(=O)c1ccc(O[C@H](C)C(=O)N2CCCN(C)c3nc4ccccc4nc32)cc1 17364506 PYJBXNLFPKEZLT-MRXNPFEDSA-N 404.470 3.473 0 40 HGAB Cc1ccc(Cn2c(=O)n3nc(CCn4nc(C)cc4C)nc3c3ccccc32)cc1 5035641 XNPFCSPQUVLTJY-UHFFFAOYSA-N 412.497 3.457 0 40 HGAB Cc1sc2ncnc(SCC(=O)N[C@H](Cc3ccccc3)C(=O)O)c2c1C 4278820 XZKHYMXWJYKUIT-CQSZACIVSA-N 401.513 3.212 0 40 HGAB CCOC(=O)c1sc(NC(=O)CSc2nnc(C)n2-c2ccccc2)nc1C 13881694 NCYUOOAUNFLPQA-UHFFFAOYSA-N 417.516 3.248 0 40 HGAB O=C(C[C@@H]1C(=O)N[C@H]2CCCC[C@@H]2N1C(=O)c1ccc(F)cc1)Nc1ccccc1 5443355 YYZLPFUCOFKCEG-SLFFLAALSA-N 409.461 3.106 0 40 HGAB CC(C)[C@H](NS(=O)(=O)c1ccccc1)C(=O)Nc1ccc(N2CCCC2)cc1 6609895 UKIHJXZNCWOERP-FQEVSTJZSA-N 401.532 3.228 0 40 HGAB CCOC(=O)N1CCC(NC(=O)[C@@H](CC(C)C)NC(=O)C2CCC(C)CC2)CC1 4778561 RVSMBONDXUHIKJ-FAFZWHIHSA-N 409.571 3.081 0 40 HGAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)OCc1cc(=O)n2cc(C)ccc2n1 18746186 RAQBNIKHRZNQJR-FQEVSTJZSA-N 403.438 3.010 0 40 HGAB Cc1ccccc1CC(=O)N1C[C@@H](c2ccnn2C(C)C)[C@@]2(CCCN(C)C2=O)C1 306127400 FXZVUYHSBWWAEZ-GBXCKJPGSA-N 408.546 3.180 0 40 HGAB CCCN1CCc2nc(SCC(=O)NCc3ccc(Cl)cc3)nc(O)c2C1 67291833 DRWNESAXYNMWNO-UHFFFAOYSA-N 406.939 3.012 0 40 HGAB C[C@@H](NC(=O)CSc1nnc(-c2cccnc2)n1C1CC1)c1ccc2c(c1)OCO2 9365880 BVKLYBBESZWECB-CYBMUJFWSA-N 423.498 3.373 0 40 HGAB CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccccc2N2CCCCC2)C1=O 15933664 OLJRJQDLPSPQSQ-DEOSSOPVSA-N 420.513 3.473 0 40 HGAB C[C@H](NC(=O)CSc1nnc(Cc2ccccc2)o1)c1ccc2c(c1)OCCO2 7734717 SFIVHDXVMDXTLH-AWEZNQCLSA-N 411.483 3.401 0 40 HGAB O=C(Nc1ccnn1Cc1cccs1)c1cccc(S(=O)(=O)N2CCCC2)c1 7793799 OSUSEWZTWNZRPG-UHFFFAOYSA-N 416.528 3.030 0 40 HGAB Cn1nc(-c2ccccc2)c(-c2ccccc2)c(C(=O)NCCCn2ccnc2)c1=O 8020462 YBLSGJJXFFGXIO-UHFFFAOYSA-N 413.481 3.131 0 40 HGAB C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)COc1ccc(N2CCCC2=O)cc1 89937327 XBHQIULKOZHLCJ-XXBNENTESA-N 421.541 3.219 0 40 HGAB Cc1ccc(NC(=O)c2ccc(NC3=N[C@H]4CS(=O)(=O)C[C@@H]4S3)cc2)cc1F 9529883 MVEIJHVMGOZYHA-IRXDYDNUSA-N 419.503 3.067 0 40 HGAB CCC[C@@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2OC)C1 408562218 OEAGJIOGEYHWFM-ZIAGYGMSSA-N 402.944 3.054 0 40 HGAB CCOc1ccc(C(=O)NCc2ccc(C)cc2)cc1S(=O)(=O)N1CCCC1 408699764 ZEKSHPYZIQSZOX-UHFFFAOYSA-N 402.516 3.108 0 40 HGAB Cc1c(NC(=O)c2cccc(NC(=O)[C@@H]3C[C@H]3C)c2)c(=O)n(-c2ccccc2)n1C 36760569 AQIQVNLVOGHVQJ-AUUYWEPGSA-N 404.470 3.331 0 40 HGAB Cc1cc(C(F)(F)F)nc2sc3c(=O)n(CC(=O)NCCC(C)C)cnc3c12 32117862 ONQVLWJCPPKVNK-UHFFFAOYSA-N 412.437 3.496 0 40 HGAB COc1ccc(CC(=O)N(Cc2cccc(OC)c2)[C@@H](C)C(=O)NCC(C)C)cc1 224446764 RMAIFEXYAJIYIN-SFHVURJKSA-N 412.530 3.436 0 40 HGAB CC[C@@H](NC(=O)CN(C)S(=O)(=O)c1ccc(SC)cc1)c1ccc(OC)cc1 225788556 UZNBXMJAURQJDM-LJQANCHMSA-N 422.572 3.305 0 40 HGAB CSc1ccc(S(=O)(=O)NCc2ccc(-n3ccnc3)cc2)cc1NC(C)=O 222965055 PSODVWYDEWIVTA-UHFFFAOYSA-N 416.528 3.031 0 40 HGAB CC[C@@H](NC(=O)[C@H]1CN(S(C)(=O)=O)c2cc(C)ccc2O1)c1ccc(C)cc1 44935943 YITLKFNCANECAG-YLJYHZDGSA-N 402.516 3.098 0 40 HGAB S=C1N[C@@H](c2ccccn2)[C@@H](c2ccc(Cl)s2)N1CCN1CCOCC1 223125703 FYWZDWDQTWFZCR-DLBZAZTESA-N 408.980 3.101 0 40 HGAB COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NCc2ccccc2OC)cc1 225161087 FEMMUFWPHKQFHB-ZHZULCJRSA-N 406.438 3.384 0 40 HGAB C[C@H](NC(=O)[C@@H](C)N(c1ccc(F)c(F)c1)S(C)(=O)=O)c1ccc2c(c1)CCC2 223235965 LGKXQHXLUBERHH-UONOGXRCSA-N 422.497 3.485 0 40 HGAB C[C@H](NC(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O)c1ccc2c(c1)CCCC2 222937324 QERFSEHRSGDNPB-AWEZNQCLSA-N 422.497 3.487 0 40 HGAB COc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4cccnc4)[C@@H]3C2=O)cc1 95351588 CAKLGVMOEACNNO-ACRUOGEOSA-N 401.422 3.141 0 40 HGAB COCCN1C(=O)Cc2c(C)nc([C@@]3(C)CCCN3Cc3ccc4cc[nH]c4c3)nc21 257207925 BJXWFGJSSVMAGL-XMMPIXPASA-N 419.529 3.313 0 40 HGAB Cc1nc(Nc2nc(C)c(C)s2)cc([C@@H]2CCN(C(=O)/C=C/c3ccnn3C)C2)n1 585292573 OTYZLDIRMOEQBB-SQRWCISFSA-N 423.546 3.365 0 40 HGAB CC(C)(C)c1nnc2sc(SCC(=O)Nc3cccc(Cl)c3)nn2c1=O 5143879 XJLICFBXTMKJRS-UHFFFAOYSA-N 409.924 3.228 0 40 HGAB CC(=O)NCCn1nc([C@H]2CCCN(Cc3ccc(F)c(F)c3)C2)c2cccnc21 12219505 NJQPHGODBRTJIO-KRWDZBQOSA-N 413.472 3.225 0 40 HGAB CC(C)[C@H](CNC(=O)c1ccc(NC(=O)c2cccs2)cc1)N1CCOCC1 12740311 SYARRQYYAXJCLM-SFHVURJKSA-N 401.532 3.087 0 40 HGAB CCOc1ccc(-c2nnc(SCc3nc(-c4cccs4)no3)n2N)cc1 14071212 CMPITNLHYLAMSR-UHFFFAOYSA-N 400.489 3.461 0 40 HGAB C[C@@H](NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 14388319 ZWIBAYLEOAKZIX-GFCCVEGCSA-N 401.315 3.491 0 40 HGAB COc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2C)c(OC)c1 15654368 FDFZCLKARFFNCK-UHFFFAOYSA-N 404.488 3.049 0 40 HGAB NC(=O)c1c(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)sc2c1CCc1ccccc1-2 17088531 PRHHEYSSZNRQCJ-KNPMLCFXSA-N 410.495 3.298 0 40 HGAB Cc1nc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2c[nH]nc2C)cc(N(C)C)n1 19582443 AMUPUBYQNNCSSY-LJQANCHMSA-N 403.490 3.078 0 40 HGAB Cn1cc(C(=O)Nc2nccs2)c(CC2CCN(C(=O)[C@H]3CC34CCC4)CC2)n1 19756544 GXWZQVINLAKLAH-MRXNPFEDSA-N 413.547 3.100 0 40 HGAB Cc1ccccc1NC(=O)COc1ccc(Cl)cc1S(=O)(=O)N1CCCC1 19935241 DJNAKPXCWDGAIP-UHFFFAOYSA-N 408.907 3.450 0 40 HGAB COc1ccc(C(=O)N2CCC[C@H](c3cc(C(F)(F)F)n4ncnc4n3)C2)cc1 12226908 YNRTZOJCHGOIJC-ZDUSSCGKSA-N 405.380 3.172 0 40 HGAB COc1ccc([C@H]2CN(S(C)(=O)=O)[C@@H]3CCN(Cc4ccccc4C)C[C@H]23)cc1 19237246 XNPLGPXVMXWDSY-DNVJHFABSA-N 414.571 3.253 0 40 HGAB Cc1nc(N2C[C@@H]3CN(c4ccc(C(F)(F)F)cn4)C[C@H]3C2)c2ccncc2n1 1888897387 YWSKPEXHROISSS-KBPBESRZSA-N 400.408 3.320 0 40 HGAB Cc1cn2nc(OCC3CCN(C(=O)c4cccc(-n5cccn5)c4)CC3)ccc2n1 1888929021 MCLQOXDSAOENLW-UHFFFAOYSA-N 416.485 3.155 0 40 HGAB O=C(CN1CC[C@@H]2CN(c3ccccn3)C[C@@H]21)N1CCC(Cc2ccccc2)CC1 1889205623 GKZOACNUDTZFII-PKTZIBPZSA-N 404.558 3.073 0 40 HGAB Cc1nc2ccc(C(=O)OCC(=O)Nc3ccc4c(c3)OC(F)(F)O4)cc2nc1C 19298373 OYBPRKYNQIWLEG-UHFFFAOYSA-N 415.352 3.364 0 40 HGAB Cc1cc(C)c(S(=O)(=O)Nc2ccc3c(c2)N(S(C)(=O)=O)CCC3)cc1C 5136849 OEPGCHQKBHCJML-UHFFFAOYSA-N 408.545 3.125 0 40 HGAB NS(=O)(=O)c1ccc(NC(=O)c2csc3nc(-c4ccc(F)cc4)cn23)cc1 11902189 RVDFTQUQWXZFFB-UHFFFAOYSA-N 416.459 3.102 0 40 HGAB COc1ccccc1NC(=O)CN1CCC(Cn2c(C)nc3ccccc3c2=O)CC1 1849474899 PQEVPAJMOIGXEX-UHFFFAOYSA-N 420.513 3.064 0 40 HGAB Cc1ccc([C@@H](CNC(=O)c2ccc(Br)o2)N2CCN(C)CC2)cc1 22582586 SHRIMHQQFPRCFU-MRXNPFEDSA-N 406.324 3.069 0 40 HGAB COC(=O)[C@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)c1ccc(-n2cccc2)cc1 206800814 XFDNWWXOVCALPV-UYAOXDASSA-N 408.429 3.452 0 40 HGAB Cc1ccc(-n2cc(C(=O)N3CCC(NC(=O)c4cccc(Cl)c4)CC3)nn2)cc1 49405936 IECZCUTXIRPGFZ-UHFFFAOYSA-N 423.904 3.264 0 40 HGAB CCOc1cc(S(=O)(=O)N2CCN=C2c2ccccc2)ccc1Br 19619283 CXIJAHZWVIFCLF-UHFFFAOYSA-N 409.305 3.299 0 40 HGAB O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cccnc1-n1cncn1 40074659 JSBSDEPYAUHFGT-NXEZZACHSA-N 407.318 3.302 0 40 HGAB Cc1ccc(O[C@H](C)C(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)c(Br)c1 40140984 RJZXZABIBRFXKK-LLVKDONJSA-N 417.259 3.389 0 40 HGAB CCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@H]1c1ccc(OCC)c(OC)c1 2256443 FTAJNCSEVZBKMY-SFHVURJKSA-N 404.488 3.307 0 40 HGAB C[C@H](Sc1nnc(-c2ccccc2F)n1CCc1ccccc1)C(=O)NC(N)=O 3391835 KLWTUXLMQQIXDF-ZDUSSCGKSA-N 413.478 3.002 0 40 HGAB COc1cc(-c2nnc(COc3ncnc4sccc34)o2)cc(OC)c1OC 3447319 ZSKYBPZPFJAVMX-UHFFFAOYSA-N 400.416 3.346 0 40 HGAB O=C(CN1C(=O)NC2(CCCCCCC2)C1=O)Nc1ccccc1Br 3463578 VTAMNALHLMAMNR-UHFFFAOYSA-N 408.296 3.423 0 40 HGAB CCC(=O)N1N=C(c2cccc(NS(C)(=O)=O)c2)C[C@@H]1c1ccc(OC)cc1 4036093 NTWAFLWVKDGCIP-LJQANCHMSA-N 401.488 3.154 0 40 HGAB Cc1ccc2cc(CN(C(=S)NCCCN(C)C)C3CCCC3)c(=O)[nH]c2c1 4131715 UNWGOOULRGOTOH-UHFFFAOYSA-N 400.592 3.407 0 40 HGAB Cc1ccc(S(=O)(=O)CCC(=O)OCc2cc(=O)oc3cc(C)ccc23)cc1 4469052 DCVIEJLRZXLEHJ-UHFFFAOYSA-N 400.452 3.317 0 40 HGAB CCOC(=O)c1[nH]c(C)c(C(=O)OCC(=O)N(C)Cc2ccc(OCC)cc2)c1C 4550142 LWNQCYUHIJNLNX-UHFFFAOYSA-N 416.474 3.022 0 40 HGAB CCS(=O)(=O)c1ccccc1C(=O)Nc1sc2c(c1C(N)=O)CCCCC2 4585751 DPSVSKAKBRBGHR-UHFFFAOYSA-N 406.529 3.162 0 40 HGAB CC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 4702905 NXMHCSGIDVVXBC-CYBMUJFWSA-N 422.503 3.042 0 40 HGAB COc1ccc(Cc2nnc(NC(=O)[C@@H]3CC(=O)N(C4CCCCC4)C3)s2)cc1 4783485 OVCCTTRCNRHXEE-OAHLLOKOSA-N 414.531 3.257 0 40 HGAB CC(=O)Nc1cccc(NC(=O)[C@@H](C)N2c3cccc4cccc(c34)S2(=O)=O)c1 4941371 SJCJBEJEIBOSMT-CYBMUJFWSA-N 409.467 3.334 0 40 HGAB C[C@@H]1CN(c2ccccn2)[C@H](C)CN1C(=O)C(O)(c1ccccc1)c1ccccc1 6175724 CXJFQPSXYKSEFJ-WOJBJXKFSA-N 401.510 3.443 0 40 HGAB O=C(NC[C@H]1COc2ccccc2O1)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 7058356 CCVAXZSBHZGVNK-WMZOPIPTSA-N 414.889 3.148 0 40 HGAB Cc1ccn2c(CN3CCN(C(=O)c4cncn4-c4ccccc4)CC3)c(C)nc2c1 8012551 QJGKKZURZXKACU-UHFFFAOYSA-N 414.513 3.095 0 40 HGAB COc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3cccc4ccccc34)C2)cc1 8037719 GLCSZPIWJNWDNW-QGZVFWFLSA-N 418.449 3.383 0 40 HGAB COc1cccc(NC(=O)COc2ccc(C(=S)N3C[C@H](C)O[C@H](C)C3)cc2)c1 8222634 KSTSBDBDMVPGMC-IYBDPMFKSA-N 414.527 3.497 0 40 HGAB O=C(NCCc1ccc(O)cc1)[C@@H]1CCCN(C(=O)CCc2c[nH]c3ccccc23)C1 8765429 XLSDBODUUYRBQI-HXUWFJFHSA-N 419.525 3.404 0 40 HGAB biogenic CC[C@H](C)NC(=O)Cc1csc(SCC(=O)Nc2ccc(NC(C)=O)cc2)n1 8850395 SQWJKGGWCASLDM-LBPRGKRZSA-N 420.560 3.290 0 40 HGAB CCN(CC(=O)NC(C)C)C(=O)CSc1nnc(Nc2ccc(C)cc2)s1 9509094 OFBNOJYXEQDKCN-UHFFFAOYSA-N 407.565 3.055 0 40 HGAB Cn1c(=O)c2c(ncn2CCCC(c2ccc(F)cc2)c2ccc(F)cc2)n(C)c1=O 9549195 ACEQXIFWXDFKKL-UHFFFAOYSA-N 424.451 3.324 0 40 HGAB COc1ccc(CNC(=O)CCCN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 10334965 BFYXNBQXFGYZLI-UHFFFAOYSA-N 404.532 3.175 0 40 HGAB O=C(CNc1ccc(Br)cc1)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1 11113340 LBRZCWZUSGJGQI-QGZVFWFLSA-N 423.332 3.081 0 40 HGAB C[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NCc1cnn(-c2ccccc2)c1 11564805 XDAGGZFGQFTBQM-NXTQRVMMSA-N 406.530 3.210 0 40 HGAB Cc1nc(-n2nc(-c3ccco3)cc2NC(=O)Cc2ccc(F)cc2)[nH]c(=O)c1C 12008351 MYMNTKISEZTZRT-UHFFFAOYSA-N 407.405 3.153 0 40 HGAB COc1ccc(NCc2cc3c(OC)c(OC)c(OC)cc3[nH]c2=O)cc1OC 12144336 UHOXLLIZMZISPX-UHFFFAOYSA-N 400.431 3.183 0 40 HGAB CCc1ccc(NC(=O)CSc2nnc(-c3cn(C)nc3OC)n2CC)cc1 12422623 OKERQQRXBYQOQF-UHFFFAOYSA-N 400.508 3.000 0 40 HGAB C[C@H](OC(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1)C(=O)NC1CCCC1 12716434 IKONSJLMRMXHLI-AWEZNQCLSA-N 402.878 3.154 0 40 HGAB C[C@@H]1CCC[C@@H](C)N1S(=O)(=O)c1ccc(NC(=O)CCNC(=O)C(C)(C)C)cc1 12765245 PVRUPPZPKGYLOD-HZPDHXFCSA-N 423.579 3.129 0 40 HGAB C[C@H]1C[C@@H](C)CN(Cc2csc(NC(=O)CNC(=O)c3ccc(F)cc3)n2)C1 12783533 GTMFEWMMAKUFHE-OKILXGFUSA-N 404.511 3.129 0 40 HGAB Cc1cccc(C(C)C)c1NC(=O)CN(Cc1ccco1)[C@H]1CCS(=O)(=O)C1 12975785 LYVPYVFRSCMLON-KRWDZBQOSA-N 404.532 3.339 0 40 HGAB O=C(CN1CSCC1=O)NCCCCOc1ccc(OCc2ccccc2)cc1 13020449 MATLDCQWPLZNFF-UHFFFAOYSA-N 414.527 3.074 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NCC(=O)Nc2cccc(C)c2)cc1 13039453 FXMUXOXDOGKQLM-QGZVFWFLSA-N 403.548 3.315 0 40 HGAB Cc1c(CCC(=O)N2CCc3nc[nH]c3C2)c(=O)oc2cc3c(cc12)CCC(C)(C)O3 13571194 QWRALOFBFXGTQU-UHFFFAOYSA-N 421.497 3.446 0 40 HGAB biogenic CC[C@@H](C(=O)Nc1ccccc1C(=O)OC)N(c1ccc(C)c(C)c1)S(C)(=O)=O 13716170 PRVQNEFOTGGKGC-IBGZPJMESA-N 418.515 3.273 0 40 HGAB CC1(C)CC(=O)CC(C)(C)N1C(=O)COC(=O)c1cc(Cl)cc(Cl)c1N 14071559 CDDNJKQPZZBSMK-UHFFFAOYSA-N 401.290 3.481 0 40 HGAB CSCC[C@H](NC(=O)C[C@@H](NC(N)=O)c1cccs1)c1nc2ccccc2[nH]1 14072880 AKQUOFOQNCSZQY-LSDHHAIUSA-N 417.560 3.335 0 40 HGAB COc1cccc(-c2cc(C(=O)N[C@H](c3cccc(OC)c3)c3nccn3C)[nH]n2)c1 19291229 FEWRSDBCGLLQOB-OAQYLSRUSA-N 417.469 3.347 0 40 HGAB CCSCc1nc(O)c2nnn(C3CCN(Cc4cc(C)c(C)o4)CC3)c2n1 19520504 UPZNIISAVAYONX-UHFFFAOYSA-N 402.524 3.227 0 40 HGAB Cc1noc2nc(C3CCN(C(=O)CCCn4cncn4)CC3)cc(C(F)F)c12 19564672 BIZTWOOZOFPTKD-UHFFFAOYSA-N 404.421 3.247 0 40 HGAB Cc1cc(C(F)(F)F)c2c([C@H]3CCCN(C(=O)C[C@H](C)n4cncn4)C3)noc2n1 19568613 BHLHTAQEDFCRBN-STQMWFEESA-N 422.411 3.499 0 40 HGAB CC1CCN(CCOc2ccccc2NC(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)CC1 19654898 AELWKMPGHSUQNU-SFHVURJKSA-N 401.551 3.383 0 40 HGAB Cc1nn(C)cc1CN1CCC[C@@H]1c1nc(C)c2c(n1)N(CCC(C)C)C(=O)CC2 19740660 PYGLHJRYTUFFGW-HXUWFJFHSA-N 410.566 3.489 0 40 HGAB Cc1nc(C)c(C(=O)N2CCC[C@@H](NC(=O)c3ccc(C(F)(F)F)nc3C)CC2)o1 19749110 LLGFKNRABUMKCZ-CQSZACIVSA-N 424.423 3.438 0 40 HGAB COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)COc1cc(C)cc(C)c1C 20037011 BMCJBGVYYUBTJI-UHFFFAOYSA-N 420.531 3.325 0 40 HGAB Cc1ccc(C)c(N(CC(=O)N[C@@H](C)CCc2ccccc2)S(=O)(=O)N(C)C)c1 20244940 JXOXHAIGFJWCTJ-IBGZPJMESA-N 417.575 3.054 0 40 HGAB CC[C@@H](C(=O)NCc1ccc(OC(C)C)cc1)N(c1ccccc1)S(C)(=O)=O 20462240 LLCFNFCPRJNFDU-FQEVSTJZSA-N 404.532 3.335 0 40 HGAB CCOC(=O)N1CCC(NC(=O)CCS[C@@H]2CCc3ccccc3N=C2O)CC1 20745450 FCWXPFBAOORNCE-GOSISDBHSA-N 419.547 3.450 0 40 HGAB Cc1cc(C)n2c(S[C@@H]3CC(=O)N(c4cccc(C(F)(F)F)c4)C3=O)nnc2n1 20799410 CHGJPOFIUPEWGJ-CYBMUJFWSA-N 421.404 3.184 0 40 HGAB C[C@@H](O)CNCCNCc1cc(Br)ccc1OCc1ccc(F)cc1 22075540 UADPVLAYQKZEAF-CQSZACIVSA-N 411.315 3.227 0 40 HGAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CN(c1cccc(F)c1)S(C)(=O)=O 22363424 JTTYMQVYKVMIFD-SFHVURJKSA-N 420.506 3.319 0 40 HGAB Cc1ccc(Cl)cc1Nc1nc(N)nc(CN2CCN(Cc3ccccc3)CC2)n1 22933220 MQTDERLOKSTQMZ-UHFFFAOYSA-N 423.952 3.477 0 40 HGAB O=S(=O)(c1cccc(Cl)c1)N1CCN(Cc2nc3ccccc3s2)CC1 23757630 RIGPVVGOYVSVMD-UHFFFAOYSA-N 407.948 3.456 0 40 HGAB Cc1ccc(-n2nc(C)cc2NC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)cc1 24888864 NIDWBVYOYKKMBM-MRXNPFEDSA-N 418.453 3.209 0 40 HGAB O=C(Cc1csc(-c2ccco2)n1)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 25535491 UXBDQQXPGHTZPB-HNNXBMFYSA-N 411.483 3.493 0 40 HGAB O=C(CCn1cncn1)N1CCN(Cc2ccc(-c3cccc(Cl)c3)s2)CC1 30180803 FKKKUWDJXJPRRE-UHFFFAOYSA-N 415.950 3.395 0 40 HGAB Cc1cc(NC(=O)C2CCN(C(=O)CSc3nc4ccccc4o3)CC2)no1 32473323 WESXKKRZVZGTLD-UHFFFAOYSA-N 400.460 3.094 0 40 HGAB O=c1nc(-c2ccco2)c2nc(N3CCOCC3)sc2n1Cc1cccc(F)c1 32615701 ZGSNQFRANBODQS-UHFFFAOYSA-N 412.446 3.137 0 40 HGAB COc1ccc(CSC2=N[C@H]3CS(=O)(=O)C[C@@H]3N2c2ccc(F)cc2F)cc1 32639747 SQDKUXDZMUXXKI-WMZOPIPTSA-N 424.494 3.248 0 40 HGAB Cc1cc(CN(C)C(=O)[C@@H](Cc2ccccc2)NC(=O)OCc2ccccc2)no1 32814725 WPZRKKJCXVXKAJ-OAQYLSRUSA-N 407.470 3.479 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CSc3ccccc3C)CC2)cc1C 33524874 VDEZIBJYBGBBDQ-UHFFFAOYSA-N 418.584 3.237 0 40 HGAB CCn1ncc(-c2noc3nc(C4CC4)cc(C(=O)N[C@@H](C)Cn4cccn4)c23)c1C 36618907 QBCRPMKRTMFSQF-ZDUSSCGKSA-N 419.489 3.307 0 40 HGAB CCOc1ccccc1CNC(=O)[C@@H](C)N(c1cccc(Cl)c1)S(C)(=O)=O 38753936 WJWOHXRGUZTBPQ-CQSZACIVSA-N 410.923 3.210 0 40 HGAB Cc1nc2n(c(=O)c1Cc1ccccc1)CN(CCCO)CN2c1ccc(F)cc1 38829932 QXDUOELBVVFNNR-UHFFFAOYSA-N 408.477 3.033 0 40 HGAB C[C@H]1CCCN(Cc2ccccc2CNC(=O)c2ccc3c(c2)C(=O)N(C)C3=O)C1 40112276 GRFSGJWVEWJYIT-INIZCTEOSA-N 405.498 3.074 0 40 HGAB O=C(Nc1cccc(OC[C@@H]2CCCO2)c1)[C@@H]1CCCN(C(=O)N2CCCC2)C1 42726682 HOMBRYJCIAWOOI-XLIONFOSSA-N 401.507 3.111 0 40 HGAB CCS(=O)(=O)N1CCC(NC(=O)c2ccccc2OCc2cccc(C)c2)CC1 42811231 WEGLAWXKQRVEFT-UHFFFAOYSA-N 416.543 3.118 0 40 HGAB Cc1cccc(N(CC(=O)NCCSc2ccc(Cl)cc2)S(C)(=O)=O)c1 44791153 WFDOPGHCYVKIJB-UHFFFAOYSA-N 412.964 3.323 0 40 HGAB O=C(NC1=NCCS1)c1nn(-c2cccc(Br)c2)c2c1CCCC2 44814975 SGBZUCSGDVINMX-UHFFFAOYSA-N 405.321 3.346 0 40 HGAB CS(=O)(=O)Nc1ccc(Cl)c(C(=O)Nc2ccccc2C(=O)N2CCCC2)c1 44841962 OQQLHZHKOBMORY-UHFFFAOYSA-N 421.906 3.200 0 40 HGAB O=C(Cn1nc(-c2ccccc2)ccc1=O)N1CC=C(c2c[nH]c3ncccc23)CC1 51283240 BRCWPUZVHVYWMQ-UHFFFAOYSA-N 411.465 3.103 0 40 HGAB COc1ccccc1OCCN(C)CC(=O)N(C)Cc1ccc(OC(F)F)cc1 52451500 QWHATQQULFIQSF-UHFFFAOYSA-N 408.445 3.266 0 40 HGAB COCCn1c(SCC(=O)Nc2cc(C)ccc2C)nc2ccsc2c1=O 57425790 AGAOOHXQDMORQZ-UHFFFAOYSA-N 403.529 3.452 0 40 HGAB Cc1cccc(NC(=O)Cn2c(=O)n(-c3cccc(C)c3)c(=O)c3sccc32)c1 57490056 JYQNLDDTGFDAQA-UHFFFAOYSA-N 405.479 3.469 0 40 HGAB COc1ccc(CN2CCN(C(=O)[C@@H]3CCCCN3C(=O)OC(C)(C)C)CC2)cc1 58005862 KIPGNOQWTLUJQX-FQEVSTJZSA-N 417.550 3.129 0 40 HGAB CCn1cnnc1CNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cccc(Cl)c1 58202356 TZOMLLYEXBVYSP-WBAXXEDZSA-N 415.925 3.041 0 40 HGAB O=C(NCc1sccc1Br)c1nc(N2CCCC2)ncc1Cl 58766772 BGYZXOQAOZFRJG-UHFFFAOYSA-N 401.717 3.484 0 40 HGAB Cc1cc(C)n(CC(=O)N(C)C2CCCCC2)c(=O)c1S(=O)(=O)c1ccccc1 67255215 NRGLADCITYJXRD-UHFFFAOYSA-N 416.543 3.089 0 40 HGAB NC(=O)c1ccc(/N=c2\oc3cc(O)ccc3cc2C(=O)Nc2ccccn2)cc1 67293254 DAMLXXWLNKPOHC-LVWGJNHUSA-N 400.394 3.117 0 40 HGAB COc1ccc(-c2csc(CNS(=O)(=O)c3ccc(NC(C)=O)cc3)n2)cc1 72265246 MEPUAMJCWQSVKY-UHFFFAOYSA-N 417.512 3.256 0 40 HGAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCC(C)(C)C[C@@H](C)O)c2)cc1F 72304193 VZFCDQZQEGNGAV-OAHLLOKOSA-N 422.522 3.462 0 40 HGAB COc1ccc(CN2CCC3(CC2)Nc2ccccc2C2=NCCN23)c(OC)c1OC 72327159 HRKGCWPJHQRGRL-UHFFFAOYSA-N 422.529 3.192 0 40 HGAB C[C@@H]1CCC[C@@H](C)N1C(=O)CN1C(=O)N2CCCN=C2c2cnn(-c3ccccc3)c21 72335757 JPMFVIHURRYCOX-IAGOWNOFSA-N 420.517 3.054 0 40 HGAB Cn1nc(C(=O)N2CCC(c3cccc(Cc4ccccc4Cl)n3)CC2)ccc1=O 72350070 YLPSFKTXPJQMLF-UHFFFAOYSA-N 422.916 3.439 0 40 HGAB CCn1c(C)nnc1[S@](=O)CCCc1nc(-c2cccc(C(F)(F)F)c2)no1 79000117 XZHWHSLYVCOIDU-NDEPHWFRSA-N 413.425 3.416 0 40 HGAB CC(=O)Nc1cc(C(=O)N2CCC(CCN3C[C@@H](C)O[C@H](C)C3)CC2)ccc1C 79022395 NHCJYOOQAJHWBR-QZTJIDSGSA-N 401.551 3.305 0 40 HGAB O=c1occ(CN2CCc3ccccc3C2)c(O)c1CN1CCc2ccccc2C1 79193833 BRNYHMUNARIREN-UHFFFAOYSA-N 402.494 3.462 0 40 HGAB Cc1nc2n(c1CN1CCN(C(=O)c3cccnc3SC(F)F)CC1)CCCC2 95456605 PKEDPXLIOLUSTA-UHFFFAOYSA-N 421.517 3.196 0 40 HGAB O=C(OCc1ccccc1)[C@H](O)CNC(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1Cl 95458575 LWWWWOHQXCCRDT-BFYDXBDKSA-N 408.281 3.317 0 40 HGAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)CSc1nnc(-c2ccc(F)c(F)c2)c(=O)[nH]1 104236251 XVTXLINOOZNUIM-JRPNMDOOSA-N 408.474 3.143 0 40 HGAB Oc1nnc(-c2ccccc2)c2c1Nc1nnnn1[C@@H]2c1cccc(Br)c1 112000249 QPMJRTOZNVHKTM-MRXNPFEDSA-N 422.246 3.293 0 40 HGAB C[C@H](Oc1cccc2ccccc12)C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21 219037147 RPCIWHBOVSATPT-INIZCTEOSA-N 424.522 3.447 0 40 HGAB CN(C(=O)COc1ccc(S(=O)(=O)NCc2ccccc2)cc1)c1ccccc1 222654021 IGQKQLGQYWWEKR-UHFFFAOYSA-N 410.495 3.207 0 40 HGAB CCC(=O)Nc1nnc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2Cl)s1 223062244 AWSYFWHGUUVKCP-UHFFFAOYSA-N 414.818 3.360 0 40 HGAB OCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1nc2ccccc2s1 223566823 ZAJLAHDIDYDFRP-RBUKOAKNSA-N 421.551 3.447 0 40 HGAB Cc1cccc(OCCNC(=O)c2cc(N(C)S(C)(=O)=O)ccc2Cl)c1C 223960013 UTSSNMUVYOUBRI-UHFFFAOYSA-N 410.923 3.161 0 40 HGAB Cc1ccc(C)c(OCCNC(=O)CN(c2cc(Cl)ccc2C)S(C)(=O)=O)c1 223991983 XTWSJKZOGWEEFW-UHFFFAOYSA-N 424.950 3.226 0 40 HGAB C[C@H]1CN(c2ncc3c(n2)CC(C)(C)C[C@@H]3NC(=O)C[C@H]2CCCCO2)C[C@@H](C)O1 248338575 RSHMGTHGLVTIQM-NTDBWNAOSA-N 416.566 3.179 0 40 HGAB CCN(CC)C(=O)CCc1c(C)nc2cc([C@@H]3CCN(C(=O)C(C)C)C3)nn2c1C 257336042 YMXJUWYOHSHNIX-GOSISDBHSA-N 413.566 3.119 0 40 HGAB COc1ccc(Cl)cc1N([C@H](C)C(=O)NCC1=CCCCC1)S(C)(=O)=O 260853110 VDPRYKMODDFKKC-CYBMUJFWSA-N 400.928 3.120 0 40 HGAB O=C(NCc1ccccc1)c1nnc2n1C[C@H]1CN(Cc3ccccc3Cl)C[C@H]1C2 306143187 XVHSNHPSXLPTOW-RTBURBONSA-N 421.932 3.166 0 40 HGAB O=C(NCc1nnc2n1C[C@@H](C(F)(F)F)CC2)c1csc(-c2ccccc2)n1 390831587 SQXHSHFYLYKDFU-LBPRGKRZSA-N 407.421 3.456 0 40 HGAB O=C(CNC(=O)C(=O)Nc1ccc(Cl)c(Cl)c1)Nc1cccc(Cl)c1 408554809 UNWPQSHVEOZPTC-UHFFFAOYSA-N 400.649 3.340 0 40 HGAB CCCCCCNC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccc(OC)cc1 408710088 ODSDLEGUULIMQH-UHFFFAOYSA-N 411.502 3.260 0 40 HGAB COc1ccc(C(=O)N2CCC(C(=O)Nc3cccc(C(C)=O)c3)CC2)cc1OC 408971822 LYFVJGOXCRQROL-UHFFFAOYSA-N 410.470 3.397 0 40 HGAB O=C(CCNC(=O)Oc1ccccc1)OCC(=O)c1ccc(Br)cc1 409004937 YLJGPLIQACDDIJ-UHFFFAOYSA-N 406.232 3.354 0 40 HGAB COc1ccc([C@@H]2[C@H](NC(=O)c3ccccc3)C(=O)N/[N+]2=C\c2ccccc2C)cc1 409061007 BJKVTOLIPYXWHE-HFXBMHRVSA-O 414.485 3.020 0 40 HGAB CS(=O)(=O)N(CC(=O)Nc1ccc(Br)cc1F)c1cccc(F)c1 409336471 STMAPMIZZWEIDR-UHFFFAOYSA-N 419.247 3.132 0 40 HGAB COc1ccc(S(=O)(=O)N(CC(=O)NCCC(C)C)c2ccc(F)cc2)cc1 409409426 OWRQSBOODRSNPI-UHFFFAOYSA-N 408.495 3.192 0 40 HGAB Cc1c(C(=O)N2CC3(C[C@H](OCC(=O)N4CCCC4)CS3)C2)oc2ccccc12 575402942 FWIABXGIMWLMRH-INIZCTEOSA-N 414.527 3.080 0 40 HGAB CC(C)(C)c1ccc(C(=O)NCCN2c3ccccc3N(C3CC3)S2(=O)=O)cc1 585147644 LZGHGVAAHVZSAQ-UHFFFAOYSA-N 413.543 3.448 0 40 HGAB Cc1cccnc1Nc1cc(C[C@H]2CCCN(C(=O)/C=C/c3ccnn3C)C2)ncn1 585291562 DHMVOVQDZAVOSU-LKGOPFMKSA-N 417.517 3.152 0 40 HGAB O=C(c1nccc2ccccc12)N1CCC(Cn2nc3c(cc2=O)CCCC3)CC1 585500111 AZWFEWWXJUFXJR-UHFFFAOYSA-N 402.498 3.223 0 40 HGAB CC(=O)Nc1cc(S(=O)(=O)Nc2ccccc2N2C[C@@H](C)O[C@H](C)C2)ccc1C 606145980 SOBFWENFJMWGSI-HZPDHXFCSA-N 417.531 3.368 0 40 HGAB CCn1cc(NC(=O)[C@@H]2C[C@H]2c2ccc(OCc3ccccc3)cc2)c(C(N)=O)n1 1522848715 HQIMSGPBUXEQHN-RBUKOAKNSA-N 404.470 3.323 0 40 HGAB CS(=O)(=O)N[C@@H]1CCCN(C(=O)N[C@H]2CCC[C@@H](c3ccc(Cl)cc3)C2)C1 1682121174 FWQDORLQZMEVRC-BPQIPLTHSA-N 413.971 3.089 0 40 HGAB O=C(O)[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1cc(Cl)ccc1Cl 811629 AWLLJTQGQKIITL-HNNXBMFYSA-N 413.282 3.449 0 40 HGAB CCOc1ccccc1NC(=O)Cn1nnc(-c2ccc(OCC)c(OCC)c2)n1 932005 YGJKYTVJBZTQJH-UHFFFAOYSA-N 411.462 3.175 0 40 HGAB COc1ccccc1S(=O)(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 3431524 FPYMGXIGQYFCQT-UHFFFAOYSA-N 424.544 3.061 0 40 HGAB Cc1ccccc1CN1CCN(C(=O)C[C@H](NC(N)=O)c2ccc(Cl)cc2)CC1 32676112 FPGLTVQFCZRYMB-FQEVSTJZSA-N 414.937 3.092 0 40 HGAB C[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)OCCOc3ccccc3F)cc2)C1 32738766 ILYXNKYJNHBZHN-INIZCTEOSA-N 421.490 3.482 0 40 HGAB CCOCCCNC(=O)CSc1nnc2c3ccccc3nc(C(C)(C)C)n12 4898245 NKODLBQMEITKGJ-UHFFFAOYSA-N 401.536 3.210 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccccc3Cl)C2)cc1 6230501 VRJRRCICLJAORG-CQSZACIVSA-N 408.907 3.388 0 40 HGAB CCCCOC(=O)c1ccc(NC(=O)COC(=O)c2c(OC)cccc2OC)cc1 6429168 GWBAEPMAUXBHEB-UHFFFAOYSA-N 415.442 3.456 0 40 HGAB Cc1ccc(C(=O)NCCSCc2ccco2)cc1S(=O)(=O)N1CCCCC1 7872228 IMRAFANBXPGEJN-UHFFFAOYSA-N 422.572 3.426 0 40 HGAB O=C(/C=C/c1cc(Cl)c2c(c1)OCCO2)N1CCN(C(=O)c2cccs2)CC1 7899886 VXVWXCLYGYBMSC-ONEGZZNKSA-N 418.902 3.171 0 40 HGAB COc1ccc([C@@H]2c3c(-c4cc(C)ccc4O)n[nH]c3C(=O)N2CCCO)cc1OC 11916390 PIEYFPBNYPHQAW-JOCHJYFZSA-N 423.469 3.036 0 40 HGAB CSCc1nnc(SCC(=O)NC2(c3ccc4c(c3)OCCO4)CCCC2)o1 32865479 JVVINRLLPFWFLL-UHFFFAOYSA-N 421.544 3.382 0 40 HGAB CN(C)C(=O)CSc1ccccc1C(=O)Nc1ccc(Cl)c(C(=O)N(C)C)c1 32915943 MYVGFLRYJZVABL-UHFFFAOYSA-N 419.934 3.474 0 40 HGAB CCC(=O)N1CCc2cc(C(=O)CN3CCC(O)(c4ccc(F)cc4)CC3)ccc21 57811703 CZCMJAFPBWKNQX-UHFFFAOYSA-N 410.489 3.291 0 40 HGAB O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)Nc1cc(Cl)ccc1Cl 8890461 GQYQDECQCSTYTR-IBGZPJMESA-N 404.253 3.325 0 40 HGAB CCOc1ccc(NC(=O)c2cccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)c2)cc1 8985484 QCKJKKAEWUQUQC-HZPDHXFCSA-N 418.515 3.136 0 40 HGAB C[C@H]1C[C@H]1C(=O)NCCC(=O)Nc1cc(Br)ccc1Br 33168547 XROMGDQVDCCOGC-WCBMZHEXSA-N 404.102 3.312 0 40 HGAB COc1ccc(C)cc1NC(=O)[C@@H](c1ccccc1)N1CCN(C[C@@H]2CCCO2)CC1 22799448 NNXKJOGRRFBOQO-XUZZJYLKSA-N 423.557 3.480 0 40 HGAB CCC(=O)N1N=C(c2ccccc2NS(C)(=O)=O)C[C@@H]1c1ccc2nccnc2c1 12323425 JDNKZUFRVSOEES-HXUWFJFHSA-N 423.498 3.089 0 40 HGAB Cn1cc(/C=C/C(=O)Nc2ccc(Oc3ccccc3Cl)cc2)c(=O)n(C)c1=O 22186135 SHBQHGFLAUTTDN-KPKJPENVSA-N 411.845 3.182 0 40 HGAB COC(=O)C1=C(C)N(c2ccc3c(c2)OCCO3)C(=S)N[C@H]1c1ccccc1F 24969727 ZHTKFIBFESEPSQ-IBGZPJMESA-N 414.458 3.480 0 40 HGAB C[C@H](CCc1ccccc1)NC(=O)[C@H]1[C@@H]2C=C[C@]3(CN(c4ccccc4)C(=O)[C@H]13)O2 100788245 DOQJCMSPVWOHSQ-VHJJMMLSSA-N 402.494 3.111 0 40 HGAB O=C(Nc1ccccc1O)C1CCN([C@H](C(=O)N2CCCC2)c2ccccc2)CC1 57289825 YLHZQUDGBCWUFU-QFIPXVFZSA-N 407.514 3.406 0 40 HGAB CCOc1ccc(C(=O)OCC(=O)Nc2cc(OC)ccc2OC)cc1OCC 3219272 FGOPQAPNTZSCTG-UHFFFAOYSA-N 403.431 3.297 0 40 HGAB Cc1ccc(S(=O)(=O)N2C(=O)CC[C@@H]2C(=O)Nc2c(C)cc(C)cc2C)cc1 28209633 SOMPVADUVMAGLI-GOSISDBHSA-N 400.500 3.239 0 40 HGAB CC(C)(C)CC(=O)OCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 3218264 BLJYYGSDCOCKLV-UHFFFAOYSA-N 402.413 3.460 0 40 HGAB NS(=O)(=O)c1ccc(CCNC(=O)c2sc3cc(F)ccc3c2Cl)cc1 3242374 SQTOOAWXIXPHHS-UHFFFAOYSA-N 412.895 3.314 0 40 HGAB COCCCNC(=O)c1c(N)n(Cc2ccc(F)cc2)c2nc3ccccc3nc12 2245058 RDWRLMUYPQONQU-UHFFFAOYSA-N 407.449 3.120 0 40 HGAB Cc1n[nH]c(=O)c2c(NC(=O)CN(Cc3ccccc3)Cc3ccco3)oc(C)c12 10610504 VHOWLPGIZTZWTB-UHFFFAOYSA-N 406.442 3.367 0 40 HGAB Cc1nn(-c2ccc(=O)[nH]n2)c2c1[C@H](c1ccc(-c3ccccc3F)o1)CC(=O)N2 36360121 QAIWIGDZWLAPMC-ZDUSSCGKSA-N 405.389 3.137 0 40 HGAB CC(C)Oc1cccc(C(=O)NC(=S)Nc2ccc(N3CCN(C)CC3)cc2)c1 2379702 WHKGLZIMYBWGMR-UHFFFAOYSA-N 412.559 3.352 0 40 HGAB O=C(CSc1ccccn1)Nc1cccc(NC(=O)CSc2ccccn2)n1 2476591 UVXPRCRWCJIUPC-UHFFFAOYSA-N 411.512 3.333 0 40 HGAB CC(=O)N[C@@H](CC(=O)Nc1cc(S(C)(=O)=O)ccc1C)c1ccc(Cl)cc1 12934225 YDWZBFUIJOBXJG-SFHVURJKSA-N 408.907 3.258 0 40 HGAB CCOC(=O)c1ccc(N(C)CC(=O)Nc2ccc(Br)cc2C)nc1 13002019 VYWPGIKAZFAOCS-UHFFFAOYSA-N 406.280 3.404 0 40 HGAB O=C(CCCCCNC1=NS(=O)(=O)c2ccccc21)Nc1ccc(F)c(F)c1 13014980 DZDPVZSEYIEYMB-UHFFFAOYSA-N 407.442 3.202 0 40 HGAB COc1ccc([C@@H]2[C@@H](C(=O)c3ccccc3)[C@@](O)(C(F)(F)F)N(C)C(=O)N2C)cc1 13115516 PKQPXAKKMPEKAN-SQGPQFPESA-N 422.403 3.484 0 40 HGAB CC1=C(C(=O)Nc2ccccc2C)[C@H](c2ccc(O)cc2)n2nc(CCCO)nc2N1 4387661 NDKRALFULXJDCI-NRFANRHFSA-N 419.485 3.145 0 40 HGAB COc1cc2[nH]c(C(=O)N3CCN(c4ccc(F)cc4)CC3)cc2c(OC)c1OC 5346196 ZMMOMXPXZTZDTL-UHFFFAOYSA-N 413.449 3.295 0 40 HGAB COCCCn1c(C(=O)Nc2ccc(OC)cc2)cc2c(=O)n3cccc(C)c3nc21 5323854 OXCYHJKJRQTUPK-UHFFFAOYSA-N 420.469 3.255 0 40 HGAB COc1ccccc1-c1noc(CN2C(=O)N[C@]3(CCCc4ccccc43)C2=O)n1 14128937 WNJBYBKZKMJXRM-QFIPXVFZSA-N 404.426 3.029 0 40 HGAB O=C(CCNC(=O)c1ccc(Cl)cc1)NCCc1cc(Cl)c2c(c1)OCCO2 14252841 KCXWKSHBLUQFSX-UHFFFAOYSA-N 423.296 3.243 0 40 HGAB CCOc1ccc(C(=O)[C@@H](C)OC(=O)CCS(=O)(=O)c2ccc(F)cc2)cc1 18261924 QAONOXKITOMKJC-CQSZACIVSA-N 408.447 3.203 0 40 HGAB CCn1c(CC(=O)Nc2cccc(OC)c2)nnc1SCC(=O)c1ccccc1 4814595 TTXHSUKLDXIZCQ-UHFFFAOYSA-N 410.499 3.463 0 40 HGAB CC(=O)c1cc(Br)ccc1OCC(=O)Nc1ccc2c(c1)OCCO2 8986909 UJVDEMWLHVLCQT-UHFFFAOYSA-N 406.232 3.440 0 40 HGAB COc1cccc(NC(=O)C2CCC(Cn3c(=O)[nH]c4ccccc4c3=O)CC2)c1 8972228 NPHHWYFAPSHNRS-UHFFFAOYSA-N 407.470 3.144 0 40 HGAB COc1ccccc1C(=O)N[C@@H](CCSC)C(=O)N[C@@H]1CCOc2ccccc21 7217261 NMDOTXYHBLDLAL-MSOLQXFVSA-N 414.527 3.187 0 40 HGAB COC(=O)c1ccc(N2CCOCC2)c(NC(=O)c2ccc(OC)c(Cl)c2)c1 7389510 XSFXWBKPOMQUTC-UHFFFAOYSA-N 404.850 3.224 0 40 HGAB Cc1cc(C(=O)OCC(=O)Nc2ccc(C(N)=O)cc2)c(C)n1Cc1cccs1 7413278 PJXVVNJCQNYGOQ-UHFFFAOYSA-N 411.483 3.109 0 40 HGAB CCc1ccccc1NC(=O)CSc1nnc2nc(O)c(Cc3ccccc3)nn12 15882054 UKRKOZIAEHGJAS-UHFFFAOYSA-N 420.498 3.109 0 40 HGAB O=C(NCc1nc(-c2cccs2)no1)c1ccc(I)cc1 24576954 ZOCKELOKGRHBLV-UHFFFAOYSA-N 411.224 3.333 0 40 HGAB CN1CCN(c2ccc(C(F)(F)F)cc2NS(=O)(=O)c2ccccc2F)CC1 7746077 LYDWDATYCVMTBD-UHFFFAOYSA-N 417.428 3.397 0 40 HGAB CN(CC(=O)Nc1ccccc1Cl)C(=O)CCNC(=O)c1ccc(Cl)cc1 8285341 JYFVYIPFGGOMET-UHFFFAOYSA-N 408.285 3.210 0 40 HGAB C[C@H](CN1CCCC1=O)NC(=O)c1ccccc1SCc1cn2ccccc2n1 70019349 WMBRWLJVNYODRN-MRXNPFEDSA-N 408.527 3.367 0 40 HGAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)NCC1(N2CCCCC2)CCCCC1 9586116 GIXTZJVJDBKLAQ-UHFFFAOYSA-N 411.550 3.253 0 40 HGAB O=C(CN1CC[C@H](Oc2ccccn2)C1)Nc1ccc2[nH]c(C(F)(F)F)nc2c1 84613280 PVSAGCUBUQESAH-ZDUSSCGKSA-N 405.380 3.069 0 40 HGAB COc1ccc(C2=NN(C(=O)CCC(=O)O)[C@@H](c3ccccc3F)C2)c(OC)c1 95945206 QCKLFLCFVYQTLL-GOSISDBHSA-N 400.406 3.385 0 40 HGAB Cc1ccc(S(N)(=O)=O)cc1C(=O)Nc1nc(-c2ccc(F)cc2)c(C)s1 29146659 XBSRBXGEFZAYKI-UHFFFAOYSA-N 405.476 3.466 0 40 HGAB COc1ccc(NC(=O)c2nnc3n2C[C@H]2CN(Cc4ccc(C)s4)C[C@@H]2C3)cc1 306142681 XGGQXCZGKZNZGJ-JKSUJKDBSA-N 423.542 3.213 0 40 HGAB CCN(CC(=O)Nc1cc(OC)c(Cl)cc1OC)S(=O)(=O)c1ccccc1 39986008 GDLLCLDCTPXHHN-UHFFFAOYSA-N 412.895 3.007 0 40 HGAB Cc1nn(-c2ccccc2)c(C)c1N1CCN(S(=O)(=O)c2cccs2)CC1 56908044 LWLILCQEHRQLOB-UHFFFAOYSA-N 402.545 3.062 0 40 HGAB CCOc1ccc(N([C@H](C)C(=O)N(C)Cc2ccc(C)cc2)S(C)(=O)=O)cc1 216486827 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C[C@@H](C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21)N(C)Cc1cccc(O)c1 533447660 NTZNPOJSSFMFDB-LBPRGKRZSA-N 407.392 3.217 0 40 HGAB C[C@@H]1Cc2cc(CC(=O)N3[C@H]4CC[C@H]3CC(O)(c3ccc5c(c3)OCO5)C4)ccc2O1 253594138 OOPLUBGKBKSMEZ-XPGWFJOJSA-N 421.493 3.322 0 40 HGAB COc1ccccc1[C@@H](CNS(=O)(=O)c1ccccc1OC(F)(F)F)OC 96385077 WALBCZGUFATDDJ-OAHLLOKOSA-N 405.394 3.260 0 40 HGAB O=C(NC1CC1)c1ccc(CN(C(=O)c2ccc(N3CCOCC3)cc2)C2CC2)cc1 58225831 DHVSIURYPKZYRA-UHFFFAOYSA-N 419.525 3.220 0 40 HGAB C[C@H]1CN(c2ccc(NC(=O)N3CCC(C4OCCO4)CC3)cc2F)C[C@H](C)O1 69200560 KZOUHXLGSOTYIH-GJZGRUSLSA-N 407.486 3.056 0 40 HGAB Cc1ccc(C2(CN3CCC(NC(=O)CCCn4cncn4)CC3)CCCC2)cc1 72393531 LWABPHFICZVRKM-UHFFFAOYSA-N 409.578 3.459 0 40 HGAB Nc1ncnc2c1ncn2CCC(=O)Nc1ccc(OCc2ccccn2)c(Cl)c1 1603528011 LHZFVJVMLBMGGU-UHFFFAOYSA-N 423.864 3.065 0 40 HGAB O=C(CCn1nnc2ccccc21)N1CCC[C@@H](c2ncncc2-c2ccncc2)C1 12088536 RWOZXZVPLNICPX-GOSISDBHSA-N 413.485 3.080 0 40 HGAB CCc1c(C)nc2cc([C@H]3CCN(Cc4cc(COC)ccc4OC)C3)nn2c1O 12276366 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SMPJROXFJMATJH-UHFFFAOYSA-N 410.478 3.203 0 40 HGAB O=C(CCCCCn1nnc2ccccc2c1=O)N1CCc2[nH]c3ccccc3c2C1 72401081 CSJIAXCPHZIZOT-UHFFFAOYSA-N 415.497 3.418 0 40 HGAB COc1ccc(S(=O)(=O)CCC(=O)N[C@@H](C)c2ccc(F)c(F)c2)cc1OC 84647891 MIEHVKGJQDVIKS-LBPRGKRZSA-N 413.442 3.023 0 40 HGAB CC(C)Oc1ccc(F)cc1NC(=O)N(CC(=O)N1CCCC1)C[C@@H]1CCCO1 78936974 LHFMNBDENNMISX-KRWDZBQOSA-N 407.486 3.248 0 40 HGAB COc1ccc2[nH]c3c(c2c1)CN(C(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccccc1)CC3 79188473 XJTOINYROIXGNC-MBSDFSHPSA-N 403.482 3.281 0 40 HGAB biogenic CC(C)(C)[C@H](NC(=O)c1csc(-c2ccccc2)n1)c1nc(-c2nc[nH]n2)no1 89642950 FXGKEHCRPNZHER-CYBMUJFWSA-N 409.475 3.495 0 40 HGAB CCn1c(CNC(=O)c2cccc(C)c2)nnc1SCC(=O)Nc1ccccc1 409051472 AKDHNHWKXBXMDD-UHFFFAOYSA-N 409.515 3.267 0 40 HGAB Cc1ccsc1CN1CCC2(CC1)CN(C)C[C@H](C(=O)NCc1cccs1)O2 306144667 ZLQCLSNNLGUNKE-GOSISDBHSA-N 419.616 3.100 0 40 HGAB NC(=O)CCc1nnc(SCc2ccccc2C(F)(F)F)n1C[C@@H]1CCCO1 32905067 KSVCUDKIKHOIJZ-ZDUSSCGKSA-N 414.453 3.186 0 40 HGAB 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XFLBQXMQLNFSLU-GOSISDBHSA-N 412.530 3.449 0 40 HGAB CCN1CCn2c(-c3ccccc3)cnc2C12CCN(C(=O)c1ccncc1)CC2 96037041 HQPOKQPRAXOKFX-UHFFFAOYSA-N 401.514 3.412 0 40 HGAB CN1CCN(C(=O)c2ccn(-c3ccc4ccc(-c5ccc(F)cc5)cn34)n2)CC1 96267024 ANFHGQBLZPDLJU-UHFFFAOYSA-N 403.461 3.319 0 40 HGAB CCCn1cnc2sc(C(=O)N3CCC[C@]4(C)NCCCC[C@H]34)c(C)c2c1=O 257327169 XAHADLOMAPWRMS-BTYIYWSLSA-N 402.564 3.313 0 40 HGAB CCC(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccc(OCCO)c(OC)c4)OCC[C@@]31C2 257286123 PKKBBXDWFBHOSH-VISFHTIBSA-N 417.546 3.475 0 40 HGAB COc1cccc(CCNC(=O)[C@@H]2C[C@H]3CC[C@H]2C[C@@]32NC(=O)c3ccccc3N2)c1 257245321 IOZBHVINFLTJKN-FAYLVHGNSA-N 419.525 3.342 0 40 HGAB Cc1ccc2c(Cl)c(C(=O)N3CCC(N4CCC[C@H]4C(N)=O)CC3)sc2c1 591450774 LYJISVKJCWTMTQ-HNNXBMFYSA-N 405.951 3.417 0 40 HGAB Cc1cc(S(N)(=O)=O)cc(NC(=O)c2cccc(Oc3nccs3)c2)c1C 605655466 OZPBGSNFQVBPJJ-UHFFFAOYSA-N 403.485 3.452 0 40 HGAB CC(=O)N1CCc2ccc(S(=O)(=O)N3CCC[C@@H]3Cc3ccc(F)cc3)cc21 604400184 WKOROGLWKYZDLP-LJQANCHMSA-N 402.491 3.131 0 40 HGAB CO[C@@H](CNC(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1)c1cccc(F)c1 96388779 VPLAVYWMKGHXAS-HNNXBMFYSA-N 400.328 3.167 0 40 HGAB CNC(=O)[C@@]1(Cc2ccc(-c3ccc(F)cc3)cc2)CN(C(=O)CC(C)C)CCO1 72389301 GVUZWYFVVMMZSX-XMMPIXPASA-N 412.505 3.425 0 40 HGAB O=C1C[C@@H]2CCN(S(=O)(=O)c3cccs3)C[C@@H]2CCOc2ccc(F)cc2N1 1534646078 AMLBPZMOALMCFY-KBPBESRZSA-N 424.519 3.325 0 40 HGAB CCNc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccc(OC(F)F)cc1 12522002 KHMHNNWLWQNSKR-UHFFFAOYSA-N 413.446 3.222 0 40 HGAB CCOc1ccc(C(=O)NCC(=O)OCC(=O)O[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)cc1 12801306 JOLMTLQZNNAWJM-DBVUQKKJSA-N 419.518 3.362 0 40 HGAB O=C(C[C@H]1SC(N2CCCC2)=NC1=O)Nc1ccc(C(=O)Nc2ccccc2)cc1 12921640 ZZMLOIGHCNOQKS-GOSISDBHSA-N 422.510 3.361 0 40 HGAB CC[C@H](C(=O)Nc1cccc(C(=O)OC)c1)N(c1ccc(C)c(C)c1)S(C)(=O)=O 13716845 QWYVJYSYZSVAEN-LJQANCHMSA-N 418.515 3.273 0 40 HGAB CC[C@@]1(C)NC(=O)N(CC(=O)N(CCc2ccccc2)Cc2ccc(C)s2)C1=O 14067548 WONSYTPGAYFJPW-JOCHJYFZSA-N 413.543 3.348 0 40 HGAB CN(CC(=O)Nc1ccccc1Br)S(=O)(=O)c1ccc(Cl)cc1 16027530 FMVRPPKIJRTRMO-UHFFFAOYSA-N 417.712 3.362 0 40 HGAB CNC(=O)[C@@]1(Cc2ccccc2-c2cccc(C)c2)CCN(C(=O)c2cnccn2)C1 19235520 OPTYJOXWSSXJTJ-RUZDIDTESA-N 414.509 3.273 0 40 HGAB COCCNC(=O)c1sc2ncccc2c1[C@@H]1CCN(c2cc(C)nc(C)n2)C1 19702009 YVODRBQHNZWGNF-OAHLLOKOSA-N 411.531 3.073 0 40 HGAB COc1cc(CN2CCC(c3cc(N)n4nc(C)cc4n3)CC2)cc(OC)c1OC 12121516 JNTZGURXZWAOQN-UHFFFAOYSA-N 411.506 3.025 0 40 HGAB COc1ccc(F)cc1-c1ccccc1CC1(C(=O)N[C@H](C)CO)CCOCC1 12220743 DOUWRUVZLLIXJL-MRXNPFEDSA-N 401.478 3.338 0 40 HGAB CS(=O)(=O)c1ccc(N2CCO[C@H](c3ccc(OC(F)F)cc3)C2)c(F)c1 578572610 TULRJOCICBGXGJ-KRWDZBQOSA-N 401.406 3.409 0 40 HGAB O=S(=O)(NC[C@]1(O)CCCc2sccc21)c1ccccc1Br 1889176705 ZXTUSTHNPNVRPQ-OAHLLOKOSA-N 402.335 3.013 0 40 HGAB CCCN1CCN(C(=O)C(C)(C)N)C[C@H](Cc2ccc(-c3ccccc3)cc2)C1=O 1848354101 BBLMERTYAPWWON-QFIPXVFZSA-N 407.558 3.330 0 40 HGAB COc1ccc(-c2nnc(SCC(=O)Nc3ccc(C)c(Cl)c3)n2N)cc1 3538148 WKULYKXANQGCGN-UHFFFAOYSA-N 403.895 3.360 0 40 HGAB CCOc1ccc(NC(=O)Cn2cnc3c(cnn3-c3ccc(C)cc3C)c2=O)cc1 4479271 GAYJTRGHUAUTFW-UHFFFAOYSA-N 417.469 3.236 0 40 HGAB O=C(O)C[C@@H](CNC(=O)CCCCCN1C(=O)c2ccccc2C1=O)c1ccccc1 4577445 NAQMOTAHFFYIFD-SFHVURJKSA-N 422.481 3.218 0 40 HGAB CCn1cc(C(=O)Nc2ccc3c(c2)OCCO3)c2nn(-c3ccccc3)c(=O)c-2c1 9661467 NIEQZWPGFFVJRU-UHFFFAOYSA-N 416.437 3.182 0 40 HGAB O=C(NCCOc1ccc2nnc(-c3ccccc3Cl)n2n1)NC1CCCCC1 13706696 DZHAAXOGLDQTEY-UHFFFAOYSA-N 414.897 3.455 0 40 HGAB COC(=O)[C@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)Nc1ccc(OC)cc1OC 206804151 HSWAHDLEIZKCIS-RHSMWYFYSA-N 418.421 3.070 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(C(=O)NCc2ccc3c(c2)cc(C)n3C)cc1 4061572 KIKYCLDSJSLJCT-UHFFFAOYSA-N 413.543 3.447 0 40 HGAB C[C@@H](SC1=N[C@@H](c2c[nH]c3ccccc23)NC(N)=N1)C(=O)N1CCc2ccccc21 13579102 MNGDBVFBOPWMRL-YJYMSZOUSA-N 418.526 3.151 0 40 HGAB O=C(Nc1cnc(-c2ccccc2)nc1)[C@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1 40091063 UEAUGNWWTHAXKZ-MOPGFXCFSA-N 422.485 3.064 0 40 HGAB C[C@H]1CN(c2ccc(C(=O)Nc3ccc(C(=O)N4CCCC4)cc3)cn2)C[C@H](C)O1 40087697 MAQBOVNMWCNNPE-IRXDYDNUSA-N 408.502 3.184 0 40 HGAB CSc1nccn1-c1cccc(C(=O)NCc2ccc(CN3CCOCC3)cc2)c1 40135745 SGKUKQDYWATWLF-UHFFFAOYSA-N 422.554 3.356 0 40 HGAB COc1cccc(-n2nnnc2SCC(=O)Nc2cccc(Br)c2)c1 667000 OYAMWFROFXLDNE-UHFFFAOYSA-N 420.292 3.164 0 40 HGAB COC(=O)CN1C(=O)S/C(=C\c2cc(Cl)c(O)c(Br)c2)C1=O 1098303 HDRLGVSTRJRFJN-WTKPLQERSA-N 406.641 3.017 0 40 HGAB CCCOc1ccc(C(=O)NC(=S)Nc2nc(C)c(C(=O)N(C)C)s2)cc1 2113068 JNEJLFYPZAXCIV-UHFFFAOYSA-N 406.533 3.069 0 40 HGAB CCn1c(Cc2cccs2)nnc1SCC(=O)Nc1ccc2c(c1)OCCO2 2218574 ZPGSWRDIZYQAOY-UHFFFAOYSA-N 416.528 3.452 0 40 HGAB CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)CNC[C@@H]1CCCO1 2636161 HDXHCRZOCKMKHP-HNNXBMFYSA-N 406.479 3.438 0 40 HGAB Cc1c(OCC(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)ccc2c3c(c(=O)oc12)CCC3 4073684 OALWAJUQFFMZPU-FYSMJZIKSA-N 411.498 3.123 0 40 HGAB biogenic CCCCOc1ccc(NC(=O)[C@@H]2O[C@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@H]32)cc1 4177259 BCTINLARZZWKRE-LYYGHALDSA-N 421.490 3.201 0 40 HGAB CCCCN(C(=O)Cn1nnc(-c2ccccc2)n1)c1ccc(C(=O)OCC)cc1 4604715 HXTASNDBEMOERO-UHFFFAOYSA-N 407.474 3.350 0 40 HGAB COCCn1nnnc1CN(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C1CCCCC1 4847440 NHTVMEJWQXXJLS-UHFFFAOYSA-N 424.549 3.113 0 40 HGAB C[C@@H](OC(=O)c1cn(C)c2ccccc12)C(=O)Nc1ccc(N2CCOCC2)cc1 5703574 SOIFJBQYQBGMRW-MRXNPFEDSA-N 407.470 3.199 0 40 HGAB CCCCOC(=O)c1ccc(NC(=O)COC(=O)c2ccc(OC)c(OC)c2)cc1 6607445 ZJPLURWUFVJVIZ-UHFFFAOYSA-N 415.442 3.456 0 40 HGAB CCCOC(=O)c1ccc(NC(=S)NC(=O)c2c(OC)cccc2OC)cc1 6629659 CFZAILVTAXLXSU-UHFFFAOYSA-N 402.472 3.397 0 40 HGAB O=C(Nc1ccccc1O)c1cc(S(=O)(=O)N2CCc3ccccc3C2)cs1 6681413 DJUDFXWVNPSQFW-UHFFFAOYSA-N 414.508 3.453 0 40 HGAB CN(C)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 7367118 DRCSQOGKLSUSLT-UHFFFAOYSA-N 421.950 3.445 0 40 HGAB COc1ccc(NC(=O)CN(C)CC(=O)Nc2cccc3ccccc23)c(OC)c1 8428828 VIBSSIIJDVPOOP-UHFFFAOYSA-N 407.470 3.366 0 40 HGAB Cc1ccc(C)n1NC(=O)c1cccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)c1 8475605 OZHUSSWHALOMFD-GOSISDBHSA-N 420.469 3.069 0 40 HGAB CCn1c(COc2ccccc2OC)nnc1SCc1nc2ccccc2c(=O)[nH]1 9262761 DQGDYDJUOPOWJM-UHFFFAOYSA-N 423.498 3.414 0 40 HGAB COc1ccc(C(=O)NCCn2nc(-c3ccc(Cl)cc3)ccc2=O)c(OC)c1 9660942 JARRPYGCZJAOFD-UHFFFAOYSA-N 413.861 3.011 0 40 HGAB O=C(COc1ccccc1)NC(=S)Nc1cc(Cl)ccc1N1CCOCC1 9720819 CBJTZRXXOJOOJN-UHFFFAOYSA-N 405.907 3.069 0 40 HGAB COC(=O)c1ccccc1NC(=O)c1ccc(Cl)c(N2CCCCS2(=O)=O)c1 12195161 OCWAYMJLGMMIME-UHFFFAOYSA-N 422.890 3.309 0 40 HGAB COC(=O)Cc1csc(NC(=O)CSc2nccn2-c2cc(C)ccc2C)n1 12520583 MNSDFTZJNBVGSB-UHFFFAOYSA-N 416.528 3.392 0 40 HGAB NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccc(NC(=O)c2cccs2)cc1 12599096 OVXNVMGUMSKITJ-SFHVURJKSA-N 405.479 3.053 0 40 HGAB O=S(=O)(c1ccc(Br)cc1Cl)N1CCN(c2nccs2)CC1 12973643 JNJSXGKRSNWSEG-UHFFFAOYSA-N 422.757 3.070 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCCc4ccccc43)C2)s1 13000103 UZLIOWFBTQLRMJ-QGZVFWFLSA-N 404.557 3.437 0 40 HGAB c1cnc(N2CCN(c3ncc(-c4ccsc4)c(-c4nccs4)n3)CC2)nc1 13268152 DHALMUQZTRXZHT-UHFFFAOYSA-N 407.528 3.445 0 40 HGAB C[C@H](SC1=N[C@H](c2c[nH]c3ccccc23)NC(N)=N1)C(=O)N1CCc2ccccc21 13579105 MNGDBVFBOPWMRL-ORAYPTAESA-N 418.526 3.151 0 40 HGAB Cc1c(CC(=O)Nc2ccc(Cn3cncn3)cc2)c(=O)oc2cc(O)c(Cl)cc12 13624593 KMUSENFXIGXTNP-UHFFFAOYSA-N 424.844 3.281 0 40 HGAB COc1ccccc1-n1nnnc1SC[C@H](O)COc1cccc2ccccc12 14238282 NOPZDRCDMNTHCF-MRXNPFEDSA-N 408.483 3.356 0 40 HGAB O=C(CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)Nc1nc(-c2ccc(Cl)cc2)cs1 14244192 HTFHQTUPSLHKLG-ZIAGYGMSSA-N 401.875 3.353 0 40 HGAB COc1cc(/C=C2\C(=O)Nc3ccc(Br)cc32)ccc1OCC(=O)O 15016150 HXWHEWCKLLTZLR-MLPAPPSSSA-N 404.216 3.414 0 40 HGAB COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 17637946 HYHGCJMQKWFJQS-INIZCTEOSA-N 412.511 3.079 0 40 HGAB O=C(Nc1c(C(=O)N2CCOCC2)oc2ccccc12)c1cc(=O)c2ccccc2o1 18948086 YLDLVFWDJKQKQM-UHFFFAOYSA-N 418.405 3.264 0 40 HGAB CC(C)C(=O)N1CCO[C@](Cc2ccc(-c3cccs3)cc2)(C(=O)N(C)C)C1 19085792 XVXVBYUAOFKQOY-QFIPXVFZSA-N 400.544 3.299 0 40 HGAB C[C@H]1CCCN(c2ncc(C(=O)NCc3cccc(OC[C@@H]4CCCO4)c3)cn2)C1 19496648 BPRUBLUHAANPHU-UWJYYQICSA-N 410.518 3.201 0 40 HGAB CCn1cc(C(=O)N2CCC[C@H](c3cc4nc(C(F)(F)F)ccc4c(=O)[nH]3)C2)cn1 19524866 UZXGTAMWEUVQND-LBPRGKRZSA-N 419.407 3.178 0 40 HGAB Cc1cnc(-c2nc(CN(C)CC(C)C)ncc2C(=O)NCc2ccccc2)cn1 19696900 MLQIDQCHLRICKJ-UHFFFAOYSA-N 404.518 3.260 0 40 HGAB COc1cccc(CNC(=O)c2cnc([C@@H]3CCN(Cc4cccnc4)C3)nc2C)c1 19759004 ZCTKYTHWIYTGLA-HXUWFJFHSA-N 417.513 3.108 0 40 HGAB COCCCn1c(=O)[nH]c(=O)c2c3c(cnc21)C(=O)C[C@@H](c1ccc(C(C)C)cc1)C3 19821124 HKRJAEXXGPBZMH-KRWDZBQOSA-N 421.497 3.157 0 40 HGAB CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1 20047926 ODNKFEBFZQODHN-NQIIRXRSSA-N 412.486 3.400 0 40 HGAB COc1cc2c(cc1OC)N(C)S(=O)(=O)C(C(=O)Nc1cc(C)ccc1C)=C2C 20063934 LOONVMLTNIIDAE-UHFFFAOYSA-N 416.499 3.470 0 40 HGAB CN(C(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1)C1CCCCC1 20110356 OESWOCNSROFMAM-OAQYLSRUSA-N 414.527 3.434 0 40 HGAB O=C(C[C@H]1SC(N2CCOCC2)=NC1=O)Nc1cc(Cl)c(Cl)cc1Cl 21133186 KGIHXZQYNFNHMM-GFCCVEGCSA-N 422.721 3.306 0 40 HGAB COc1ccc(Cl)cc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 24606514 YIIBANXJXKTCLD-LBPRGKRZSA-N 414.936 3.450 0 40 HGAB O=S(=O)(/C=C/c1ccccc1)NC[C@@H](c1ccccc1Cl)N1CCOCC1 24681114 XOXKCLOPYMGHDK-XIJQHFHMSA-N 406.935 3.304 0 40 HGAB C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)NCCC3=CCCCC3)c2)C[C@@H](C)O1 24751103 NOKASNUKCXZVPP-IAGOWNOFSA-N 406.548 3.105 0 40 HGAB Cc1ccc(S(=O)(=O)NCCNC(=O)c2ccc(C(F)(F)F)cc2)c(C)c1 24976153 QVRGKLBYQCNCOM-UHFFFAOYSA-N 400.422 3.031 0 40 HGAB O=C1C[C@H](C(=O)Nc2nc3ccccc3nc2N2CCCC2)c2ccc(F)cc2N1 25246331 NORNUZAIZPJHGB-HNNXBMFYSA-N 405.433 3.434 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N(Cc3cccnc3)C3CC3)C2)s1 28517988 TXZRJXOYHUXXRK-KRWDZBQOSA-N 419.572 3.043 0 40 HGAB O=C(CN1CCCN(c2ccc(C(F)(F)F)cn2)CC1)NCc1ccccc1F 29192016 WQTOHBINXVZLJI-UHFFFAOYSA-N 410.415 3.068 0 40 HGAB O=C(Nc1cccc(CN2CCCC2=O)c1)C1CCN(C(=O)c2cccs2)CC1 29287553 ASXTUTRRQGOBJB-UHFFFAOYSA-N 411.527 3.361 0 40 HGAB COc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(F)cc2)cc1C(=O)N1CCCCC1 30758760 ZRHSFMQJJKTTGK-HNNXBMFYSA-N 420.506 3.500 0 40 HGAB COc1cccc([C@@H](NC(=O)NCc2ccc(OC)c(OC)c2)c2nccn2C)c1 31027503 XVAAGLDYUNUWBQ-HXUWFJFHSA-N 410.474 3.035 0 40 HGAB CCCCCC(=O)NC(=S)Nc1ccccc1N1CCN(C(=O)C(C)C)CC1 32126666 KHEMUHLWTFDCPN-UHFFFAOYSA-N 404.580 3.385 0 40 HGAB O=C1CCc2cc(S(=O)(=O)Nc3cc4c(cc3Cl)OCCCO4)ccc2N1 32855677 BLFAHXBLKXSDHK-UHFFFAOYSA-N 408.863 3.187 0 40 HGAB CC(=O)N1CCCc2cc([C@@H](O)CN3CCN(c4ccc(Cl)cc4)CC3)ccc21 36741204 ZJCXWGMWMPQSNS-QHCPKHFHSA-N 413.949 3.495 0 40 HGAB CCN(Cc1cccc(NC(=O)[C@@H]2CCCN(c3ccc(Cl)nn3)C2)c1)C(C)=O 40133726 JUSQATSEIDGTPC-QGZVFWFLSA-N 415.925 3.354 0 40 HGAB CCCCOc1ccc(C(=O)N2CCN(CCNC(=O)c3ccsc3)CC2)cc1 42382983 WYBWELQHKAWNPN-UHFFFAOYSA-N 415.559 3.115 0 40 HGAB Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)Nc3ccc(-n4cccn4)nc3)C2)c1 44970019 SSPSMXHAFPVYIN-SFHVURJKSA-N 403.486 3.375 0 40 HGAB CCc1ccc(-n2cc(C(=O)N3CCC(NC(=O)c4ccc(F)cc4)CC3)nn2)cc1 49406448 BYSDEAYSZCXNTK-UHFFFAOYSA-N 421.476 3.003 0 40 HGAB Cc1cccc(NC(=O)CN2CN(c3ccccc3)c3ncccc3S2(=O)=O)c1 49411384 AMGVVLQLZQASIA-UHFFFAOYSA-N 408.483 3.129 0 40 HGAB CCCCCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(C(C)=O)cc2)c1=O 51357737 OVCISKQGQMDYFU-UHFFFAOYSA-N 407.470 3.195 0 40 HGAB Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N(c2ccccc2)C(C)C)C1 59339792 FCOMLBIFVOPFKM-KRWDZBQOSA-N 405.520 3.134 0 40 HGAB Cc1ccc(N(CC(=O)NCCOc2cccc3ccccc23)S(C)(=O)=O)cc1 59471971 OCFIVZOQHHRWMT-UHFFFAOYSA-N 412.511 3.109 0 40 HGAB C[C@@H]1CN([C@H](CNC(=O)COc2ccccc2)c2c(F)cccc2Cl)CCO1 60453602 WMXNRNMQQNNKKF-DNVCBOLYSA-N 406.885 3.436 0 40 HGAB Cc1ccc(CNC(=O)Cn2ncc(N3CCC(C)CC3)c(Cl)c2=O)cc1C 67245985 YFCLTNOSSZTVQO-UHFFFAOYSA-N 402.926 3.066 0 40 HGAB Cc1ccc(C)c([C@H]2NC(=O)N(CC(=O)Nc3ccc(C)c(F)c3)C3=C2C(=O)OC3)c1 67288771 ZWPZFGOBSOVFMT-OAQYLSRUSA-N 423.444 3.267 0 40 HGAB O=S(=O)(NCC1(c2cccc(C(F)(F)F)c2)CCOCC1)N1CCCCCC1 70019320 JGFWNYPKJLAHRS-UHFFFAOYSA-N 420.497 3.464 0 40 HGAB CCCN1CCC2(CC1)OC[C@H](C(=O)O)N2C(=O)c1cc(Cl)cc(Cl)c1 71980366 DJZDOYUNUKYGAW-OAHLLOKOSA-N 401.290 3.121 0 40 HGAB C[C@H](NC(=O)N1CCN(Cc2ccccc2)CC1)C(=O)Nc1ccc2cc[nH]c2c1 79478745 AMLHYRIRWRPIKV-KRWDZBQOSA-N 405.502 3.022 0 40 HGAB C[C@H]1CN(C[C@@H]2CCCN2CC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)C[C@@H](C)O1 95373517 HKPHTTBPOFZVSX-VKDGWMQASA-N 413.606 3.316 0 40 HGAB Cc1nc(-c2cc(C(=O)NCC(C)(C)CO)c3ccccn23)cn1-c1ccccn1 96154977 ZIYVTAZWFMYMPA-UHFFFAOYSA-N 403.486 3.244 0 40 HGAB O=C(N[C@H](c1ccccn1)[C@@H]1CCCN(C(=O)C2[C@H]3CCCC[C@H]23)C1)[C@@H]1CCCO1 100243662 SQEXUZFWXRQSRK-YOPKZKFMSA-N 411.546 3.093 0 40 HGAB O=C1[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@@H]2C(=O)N1CN(C(=O)C(F)(F)F)c1ccc(Cl)cc1 100395213 BMFUNSUHUHFQAF-UKRFAEJPSA-N 424.806 3.246 0 40 HGAB COCCn1/c(=N/C(=O)CCOc2ccccc2)sc2cc(NC(C)=O)ccc21 100873094 DMEMUEIYTCBSAJ-LNVKXUELSA-N 413.499 3.204 0 40 HGAB C[C@H](NC(=O)c1ccccc1Cl)C(=O)OCC(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 101914395 OQLGBUHRKVBNNX-KIMHZCHSSA-N 420.937 3.429 0 40 HGAB O=C(NC1CC1)c1c(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@@H]3C=C[C@H]2CC3)sc2c1CCCC2 102635227 UNFDFCNSHHFYHV-LZDSYCOUSA-N 414.527 3.371 0 40 HGAB Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@H](C(=O)c2ccc(Cl)cc2)N2CCC[C@H]32)cc1 169294135 DNFVZNPHOQSYCX-UAFMIMERSA-N 408.885 3.484 0 40 HGAB CSc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccc3ccccc3c2)cc1 222821761 VXVKPGDTDRUUME-UHFFFAOYSA-N 414.552 3.499 0 40 HGAB CC[C@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)COc1ccccc1OC 223151583 WVOKWWDNRGXGGG-QGZVFWFLSA-N 404.894 3.281 0 40 HGAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1Cc1cccnc1 223606306 WSOZLGTVHXNQEQ-FCHUYYIVSA-N 421.570 3.298 0 40 HGAB COc1ccc(S(=O)(=O)N(C)Cc2ccc(SC)cc2)cc1N1CCCC1=O 223889199 HKFKKPAFPQXRII-UHFFFAOYSA-N 420.556 3.365 0 40 HGAB CCc1ccc(CC)c(CNC(=O)[C@@H](C)N(c2cccc(OC)c2)S(C)(=O)=O)c1 224417716 YZQMVBRCEYTFCM-MRXNPFEDSA-N 418.559 3.291 0 40 HGAB CCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)COc1ccccc1F 225006836 BPKYYBDABMUKTB-MRXNPFEDSA-N 402.466 3.157 0 40 HGAB O=C(Nc1nnc(S(=O)(=O)NCC2=CCCCC2)s1)c1ccc(Cl)cc1 225101993 FNIDIWAOZNWTPU-UHFFFAOYSA-N 412.924 3.223 0 40 HGAB COc1ccc(C2=NO[C@@H]3[C@H]4C[C@H]([C@H]5C(=O)N(c6c(C)cccc6C)C(=O)[C@@H]45)[C@H]23)cc1 248180479 DEBBZXPRNSMGBS-OBQNWJJYSA-N 416.477 3.487 0 40 HGAB COc1ccc([C@@H]2CN(C(=O)C(C)(C)NC(=O)CCc3ccccc3)CCN2C)cc1 257208847 BNUKHUMHRBEGEY-QFIPXVFZSA-N 423.557 3.038 0 40 HGAB Cc1ccccc1C(=O)N1CC[C@H](Oc2ccccc2)[C@@H](CC(=O)N2CCOCC2)C1 257251449 JQUMFUPYAICJRG-REWPJTCUSA-N 422.525 3.154 0 40 HGAB NC(=O)C[C@]1(COc2ccc(F)cc2)CCCN(C(=O)c2cc(F)cc(F)c2)C1 257299603 RQTGQUSVFUREAW-OAQYLSRUSA-N 406.404 3.281 0 40 HGAB Cc1nc(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2ccsc2)c2cccnc23)cs1 306131007 JUODHKCFJIXGFN-HXUWFJFHSA-N 410.524 3.352 0 40 HGAB O=C(Cn1cc(C(=O)C(=O)N2CCCCC2)c2ccccc21)NCCc1ccccc1 408575436 WGNRCVJYRQRKBK-UHFFFAOYSA-N 417.509 3.195 0 40 HGAB CS(=O)(=O)N(CC(=O)Nc1ccc(C(F)(F)F)cc1)Cc1ccc(F)cc1 408626529 ZIGVYJJWHLTYAV-UHFFFAOYSA-N 404.385 3.245 0 40 HGAB COc1ccccc1N1CCN(S(=O)(=O)c2cc(C(C)C)ccc2OC)CC1 408701121 RVJCXBSNNLWHOV-UHFFFAOYSA-N 404.532 3.338 0 40 HGAB Cc1ccccc1CSCCNC(=O)CN(c1cccc(C)c1C)S(C)(=O)=O 409027264 DIFCNVXBCZRLOV-UHFFFAOYSA-N 420.600 3.427 0 40 HGAB COc1ccc(C(=O)N[C@H]2C(=O)N/[N+](=C\c3ccccc3)[C@@H]2c2ccc(C)cc2)cc1 409058593 TTZURWNJSDDGEE-WFZBXURCSA-O 414.485 3.020 0 40 HGAB COC(=O)Cn1nnc(-c2ccccc2)c1C(=O)c1ccc(Br)cc1 409082866 TYDJKGULJJZPEH-UHFFFAOYSA-N 400.232 3.112 0 40 HGAB Cc1cc(C)nc(Nc2cc(C3CCN(C(=O)/C=C/c4ccnn4C)CC3)ccn2)n1 585292349 KYQWMCSKHSLHOR-SNAWJCMRSA-N 417.517 3.385 0 40 HGAB CN(Cc1cc(-c2ccc(F)cc2)no1)c1c(O)nc(=O)n(Cc2ccccc2)c1N 642329969 RDOOFUXHFCNYAG-UHFFFAOYSA-N 421.432 3.010 0 40 HGAB COc1cc(NCCCNC(=O)c2cccc(-c3noc(CC(C)(C)C)n3)c2)ncn1 1630693939 KVWRXACMHNGWAL-UHFFFAOYSA-N 424.505 3.356 0 40 HGAB O=C(c1cncc(Br)c1)N1C[C@@H]2CCC[C@]2(COc2ncc(F)cn2)C1 1888879082 XSYVCKINZZNBNP-SCLBCKFNSA-N 421.270 3.095 0 40 HGAB O=C1CN(c2ccc(Cl)cc2)C(=O)CN1NC(=S)Nc1ccc(Cl)cc1 642525 IUSGZTQBTCWJSY-UHFFFAOYSA-N 409.298 3.070 0 40 HGAB O=C(NC1CCCC1)[C@H](c1cccs1)N(C[C@H]1CCCO1)C(=O)C(F)(F)F 800202 NRGCIQYVBNHYKQ-HIFRSBDPSA-N 404.454 3.418 0 40 HGAB CC(C)OC(=O)CN1C(=O)C(C)(C)Oc2ccc(C(=O)NC3CCCCC3)cc21 1342332 JOEPARQHBJLPNU-UHFFFAOYSA-N 402.491 3.205 0 40 HGAB CCCn1c(SCC(=O)Nc2ccc(C(=O)OC)cc2)nnc1-c1ccccn1 1362614 OFAOCSPDMNTVJX-UHFFFAOYSA-N 411.487 3.268 0 40 HGAB COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)OCC(=O)C(C)(C)C)c2)cc1 3318820 WRAHUUKIEMJVRH-UHFFFAOYSA-N 419.499 3.292 0 40 HGAB O=C(N[C@H]1CCCc2ccccc21)c1ccc2c(c1)SC1=NS(=O)(=O)CCN12 3327755 CJGHUBHZWPMOMA-INIZCTEOSA-N 413.524 3.106 0 40 HGAB CN(C(=O)CN1C(=O)N[C@@](C)(c2cccc(Br)c2)C1=O)C1CCCCC1 3386988 LILRKLUEODKQEN-IBGZPJMESA-N 422.323 3.007 0 40 HGAB C[C@H](OC(=O)c1ccc2ncsc2c1)C(=O)Nc1ccc(N2CCOCC2)cc1 3416692 LICXPOLNTUKYHO-AWEZNQCLSA-N 411.483 3.317 0 40 HGAB C[C@H](CCc1ccccc1)NC(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN12 3454978 ATWXTNJCXDKFCM-CQSZACIVSA-N 415.540 3.049 0 40 HGAB COC(=O)c1ccc(OC(=O)c2cccc(CN3C(=O)c4ccccc4C3=O)c2)cc1 3560601 UDIFFVYPHMLRFL-UHFFFAOYSA-N 415.401 3.489 0 40 HGAB CCc1nnc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3C)cc2)s1 4031478 QRMCJMCOZGQYNP-UHFFFAOYSA-N 402.501 3.462 0 40 HGAB COCCCNC(=S)N(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C[C@H]1CCCO1 4132400 KLEDRZQBMQHXNC-LJQANCHMSA-N 417.575 3.037 0 40 HGAB CCc1ccc2[nH]c(=O)c(CN(CCN(C)C)C(=S)NCc3ccco3)cc2c1 4133441 NRVUZVSIYSXCCK-UHFFFAOYSA-N 412.559 3.122 0 40 HGAB CCCSc1nc2c(c(=O)[nH]1)[C@H](c1ccncc1)C(C(=O)OC(C)C)=C(C)N2 4292302 NNESCKDEKDJKBN-OAHLLOKOSA-N 400.504 3.450 0 40 HGAB Cc1ccc(C)c(OCc2nnc(S[C@@H](C)C(=O)Nc3nnc(C)s3)n2C)c1 4736446 HBTKKPKLYIQGLB-LBPRGKRZSA-N 418.548 3.290 0 40 HGAB Cc1ccc(CNC(=O)CSc2nc(=O)n(Cc3ccco3)c3c2CCCC3)cc1 5267518 JSEJZHQTJGYWKW-UHFFFAOYSA-N 423.538 3.480 0 40 HGAB CCOc1cc([C@@H]2[C@H]3CCCC[C@]3(O)CCN2CC(=O)N2CCCCC2)ccc1O 6464573 NHZZGNAMAAEEJA-FOVJLYNBSA-N 416.562 3.472 0 40 HGAB CN(CCc1ccccc1)S(=O)(=O)c1csc(C(=O)Nc2nccs2)c1 6681028 CMOWPNKPDRLFKJ-UHFFFAOYSA-N 407.542 3.320 0 40 HGAB CCOc1ccccc1NC(=O)COC(=O)[C@H]1CC(=O)N([C@H](C)c2ccccc2)C1 7232334 YNENSLMZKFQZNK-AEFFLSMTSA-N 410.470 3.177 0 40 HGAB CCCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2ccccc2Br)n1 7420263 NVBBQILGTPGDES-UHFFFAOYSA-N 416.279 3.231 0 40 HGAB Cc1ccc(-c2csc(=S)n2CC(=O)NCC(=O)NCc2ccco2)cc1 7952871 YPDHPTXHYCKFHT-UHFFFAOYSA-N 401.513 3.280 0 40 HGAB COc1ccccc1NC(=O)CN(Cc1ccco1)S(=O)(=O)c1cccs1 8936307 DNGBRASFYCXWGT-UHFFFAOYSA-N 406.485 3.179 0 40 HGAB O=c1c2ncccc2n(Cc2ccc(Cl)cc2Cl)c(=O)n1Cc1ccncc1 9001678 SVVPJHRURBUWTE-UHFFFAOYSA-N 413.264 3.357 0 40 HGAB CCOc1ccc(N2C[C@@H](CNS(=O)(=O)c3ccc(Cl)cc3)CC2=O)cc1 9035988 XUJHGMTWPXGRIL-CQSZACIVSA-N 408.907 3.070 0 40 HGAB CCOc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccc(OC)cc4)ccn3n2)cc1 9321176 YHQKMLZGYIIIOT-UHFFFAOYSA-N 418.453 3.209 0 40 HGAB Cc1nn(CC(C)C)c2sc(C(=O)N3CCN(C(=O)c4ccco4)CC3)cc12 9501590 HQDFXDZSERJHRB-UHFFFAOYSA-N 400.504 3.253 0 40 HGAB Cn1c(=O)c2c(nc3n(Cc4cccc5ccccc45)c(C(C)(C)C)cn23)n(C)c1=O 10104567 SXNGTBARDHMTOC-UHFFFAOYSA-N 415.497 3.185 0 40 HGAB COc1ccccc1NC(=O)NCc1ccccc1S(=O)(=O)N1CCCCC1 10464988 RDBRHUPQHYVCBZ-UHFFFAOYSA-N 403.504 3.192 0 40 HGAB Cc1ccc(CN(C(=O)c2cc(-c3ccccc3)on2)[C@@H]2CCS(=O)(=O)C2)cc1 11917135 KHAMSZPDABYZFX-LJQANCHMSA-N 410.495 3.480 0 40 HGAB Cc1cc(-c2cnc(C)nc2[C@@H]2CCCN(CC(=O)Nc3nc(C)cs3)C2)on1 12118497 JSFRIKFIZSXMST-OAHLLOKOSA-N 412.519 3.331 0 40 HGAB O=c1c2ccccc2nc(CS[C@@H]2CCS(=O)(=O)C2)n1-c1ccccc1Cl 12360120 PSLOLAKUHDDNHH-CYBMUJFWSA-N 420.943 3.459 0 40 HGAB CCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2cc(C)nn2C)cc1 12443984 YHCPEMGZZKNFHP-UHFFFAOYSA-N 412.515 3.192 0 40 HGAB CCCCCCNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1F 12743019 ZILHTOFPOMPGTN-IBGZPJMESA-N 406.523 3.412 0 40 HGAB Cc1nc(-c2ccc(CCNC(=O)[C@H]3CCCN(c4ncccn4)C3)cc2)cs1 12914829 VKSMOWFPLGDUMU-IBGZPJMESA-N 407.543 3.484 0 40 HGAB C[C@@H]1CCCCN1S(=O)(=O)c1ccc(-n2ncc(Cl)c(Cl)c2=O)cc1 12922098 UJKLEMSUXARKTF-LLVKDONJSA-N 402.303 3.102 0 40 HGAB Cc1nc2c(cnn2C(C)C)cc1C(=O)N1CCN(Cc2ccc3c(c2)CCO3)CC1 12971793 JCVNVCLTIQHLEW-UHFFFAOYSA-N 419.529 3.214 0 40 HGAB O=C(Nc1ccccc1-c1cccs1)C1CCN(c2ccc3nnnn3n2)CC1 12984731 VWSQHWJLBAIVSD-UHFFFAOYSA-N 405.487 3.103 0 40 HGAB O=C(Nc1ccc(F)cc1)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCCO2)c1 13070234 DZPBVUCSTKKIDT-OAHLLOKOSA-N 412.870 3.189 0 40 HGAB CCN(c1ccc(OCC(=O)NCCC(C)C)cc1)S(=O)(=O)c1ccccc1 13585035 XMBFPYMZMVTACS-UHFFFAOYSA-N 404.532 3.443 0 40 HGAB C[C@H]1Cc2ccccc2N1C(=O)CN(c1ccccc1Br)S(C)(=O)=O 13645997 OIEVRSAIZUJPKG-ZDUSSCGKSA-N 423.332 3.193 0 40 HGAB CCc1ccccc1N(CC(=O)NCCSCc1ccccc1F)S(C)(=O)=O 13669302 NRKJGZNVGMMJFW-UHFFFAOYSA-N 424.563 3.204 0 40 HGAB COc1ccc(S(=O)(=O)N[C@@H](C)CCc2ccccc2)cc1C(=O)NC(C)C 13677961 QXVQTOHBZZINQE-INIZCTEOSA-N 404.532 3.133 0 40 HGAB CCOC(=O)Cn1c(=O)n2nc(-c3ccccc3)nc2c2c3c(sc21)CCCC3 13729061 KRLGYUIKWBQTJV-UHFFFAOYSA-N 408.483 3.215 0 40 HGAB COc1ccc(/N=c2\oc3cc(O)ccc3cc2C(=O)NC[C@H]2CCCO2)cc1OC 13893492 HWOLKTOIZQDVQX-NPPSCJOGSA-N 424.453 3.297 0 40 HGAB CN(C(=O)c1cccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)c1)c1ccccc1 14196768 OQZIAQBFVPIGGM-UHFFFAOYSA-N 424.478 3.170 0 40 HGAB O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)s1)N[C@H]1CCc2ccccc21 14201037 DXZOSGZRXURPJI-SFHVURJKSA-N 404.557 3.269 0 40 HGAB CCNC(=O)[C@]1(Cc2cc(-c3ccccc3)no2)CCCN(C(=O)c2ccncc2)C1 19528691 IAZGGSXVEGFJML-DEOSSOPVSA-N 418.497 3.338 0 40 HGAB CN(C)C(=O)[C@@]1(Cc2ccc(-c3ccsc3)cc2)CCN(C(=O)[C@@H]2CCCO2)C1 19579849 AIZGLDFWEUUNIH-NZQKXSOJSA-N 412.555 3.444 0 40 HGAB CNc1nc([C@H]2CCCCN2C(C)=O)nc2c1CN(C(=O)CC1CCCCC1)CC2 19710855 XSRLMAALIMOXBB-HXUWFJFHSA-N 413.566 3.447 0 40 HGAB Cc1cc(C(=O)Nc2cccc(-c3cn4ccsc4n3)c2)nc(N2CCOCC2)n1 19718720 XSJKXPMLOWGSSG-UHFFFAOYSA-N 420.498 3.250 0 40 HGAB COc1cc2cc(C(=O)N[C@H](c3nnc4ccccn34)C(C)C)n(C)c2cc1OC 20727778 KHQFZXUJKCPSMG-FQEVSTJZSA-N 407.474 3.365 0 40 HGAB O=C(Cc1csc2nc(-c3ccccc3)cn12)Nc1ccc(N2CCOCC2)nc1 21589902 YIICCCILXUNNOG-UHFFFAOYSA-N 419.510 3.476 0 40 HGAB CN(c1ccc(OCC(=O)Nc2ccc(Cl)cc2Cl)cc1)S(C)(=O)=O 22230556 DQPCVTAQJNUVJL-UHFFFAOYSA-N 403.287 3.407 0 40 HGAB CC(C)C(=O)NC[C@H](c1ccc2c(c1)OCO2)N1CCN(c2ccc(F)cc2)CC1 22851501 IPNFEQRKQLVKIS-HXUWFJFHSA-N 413.493 3.190 0 40 HGAB O=C(CN1CCN(CCc2ccccc2)CC1)Nc1ccc(Br)cc1 22911928 XNGOOLOWTQMROZ-UHFFFAOYSA-N 402.336 3.248 0 40 HGAB O=C(NC[C@@H]1COc2ccccc2O1)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 23055393 WCADBRYDRMXQAR-GOSISDBHSA-N 424.478 3.057 0 40 HGAB CN(CC(=O)N1CCN(Cc2ccccc2)CC1)C(=O)Cc1cccc2ccccc12 23846988 BMPMHHBMEOMFED-UHFFFAOYSA-N 415.537 3.185 0 40 HGAB COc1ccc(S(=O)(=O)Nc2cccc(Oc3cnccn3)c2)cc1NC(C)=O 24576257 QWJMRNJGJMHVCL-UHFFFAOYSA-N 414.443 3.037 0 40 HGAB CC(=O)c1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C)s2)C1 24832925 HSXYRSVNYUWZBV-OAHLLOKOSA-N 406.529 3.299 0 40 HGAB O=C1c2ccccc2C(=O)N1C[C@@H](O)CN(Cc1ccccc1)Cc1ccccc1 24960207 RGDKUZJHURDGQJ-NRFANRHFSA-N 400.478 3.346 0 40 HGAB Nc1nc(CN2CCN(C(=O)c3cc(Cl)cc(Cl)c3)CC2)nc2ccccc12 24991971 JMLOAQWLBVKZGL-UHFFFAOYSA-N 416.312 3.477 0 40 HGAB CC1CCN(C(=O)[C@@H]2CN(S(=O)(=O)Cc3ccccc3)c3ccccc3O2)CC1 26112967 AQVRFVLHSRHBGO-NRFANRHFSA-N 414.527 3.043 0 40 HGAB Cc1nccn1Cc1ccc(C(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)cc1 30942409 FFXUJSJANRWGJR-FQEVSTJZSA-N 418.497 3.401 0 40 HGAB O=C(Cc1ccc(Br)cc1)NCCCN1CCN(c2ccccc2)CC1 31240630 MMKMXMJDMDHBDE-UHFFFAOYSA-N 416.363 3.320 0 40 HGAB COc1c(C)cnc(CN2CCN([C@@H](C(=O)O)c3c[nH]c4ccc(C)cc34)CC2)c1C 31809652 WSKUZRUFSNHTNW-JOCHJYFZSA-N 422.529 3.440 0 40 HGAB COc1ccccc1-n1cnc2cc(C(=O)NCc3ccc(F)cc3)ccc2c1=O 32106623 XLZCPRYYESHXBS-UHFFFAOYSA-N 403.413 3.463 0 40 HGAB O=S(=O)(Oc1ccc2c(c1)CCC2)c1ccc(S(=O)(=O)N2CCCCC2)cc1 32755183 ISFQEXULQYVGGZ-UHFFFAOYSA-N 421.540 3.118 0 40 HGAB O=C(Cn1c(=O)cnc2ccccc21)Nc1nc(-c2ccc3c(c2)CCO3)cs1 32869007 HOALHBVZHAUELQ-UHFFFAOYSA-N 404.451 3.094 0 40 HGAB Cc1nc(CCNC(=O)c2ccccc2SCC(=O)NCc2ccco2)cs1 32907453 MVFKNKWBUVILPC-UHFFFAOYSA-N 415.540 3.426 0 40 HGAB COC(=O)c1cc(CSCC(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)oc1C 32907792 KMBBRFCOZKPKQW-LBPRGKRZSA-N 405.472 3.256 0 40 HGAB CSCC[C@H](CO)NC(=O)COc1ccc2cc(-c3ccccc3)c(=O)oc2c1 36585375 SDMJBHRFQZHVJE-QGZVFWFLSA-N 413.495 3.069 0 40 HGAB biogenic C[C@H]1Oc2ccccc2O[C@H]1C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 36627980 LEOLTTKVPZYLBA-FOIQADDNSA-N 416.499 3.028 0 40 HGAB O=c1c2cnc(N3CCN(c4ccc(F)cc4)CC3)nc2ccn1Cc1ccccc1 39383815 NZISHUOTNUAHRG-UHFFFAOYSA-N 415.472 3.306 0 40 HGAB Cc1ccc(Nc2nc3c(c(=O)[nH]2)[C@H](C(=O)Nc2ccccc2C)CC(=O)N3)cc1 40400369 XXRWOOLWIXWLAH-OAHLLOKOSA-N 403.442 3.195 0 40 HGAB CC(C)Sc1ccccc1C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 44193731 RUDWDKCYXYNEQP-UHFFFAOYSA-N 404.557 3.334 0 40 HGAB Cc1nn(C)c(C)c1CCC(=O)NC1CCN(c2ccc(C(F)(F)F)cn2)CC1 46613331 KONSRSGPAXZTGR-UHFFFAOYSA-N 409.456 3.169 0 40 HGAB C[C@H](NC(=O)c1ccoc1)C(=O)Nc1cccc(CN(C)C(=O)OC(C)(C)C)c1 48236698 IRCPCXJDMVXDKH-AWEZNQCLSA-N 401.463 3.404 0 40 HGAB COc1ccccc1N(CCC(N)=O)C(=O)CN1CCC[C@@H]1CCc1ccccc1 48362342 BEENQSLUEJMGCT-HXUWFJFHSA-N 409.530 3.001 0 40 HGAB COc1cccc(NC(=O)Cn2cnc3c(cnn3-c3cc(Cl)ccc3C)c2=O)c1 57428291 JQJSIZHZBNNTTM-UHFFFAOYSA-N 423.860 3.191 0 40 HGAB COc1ccccc1-n1c(SCC(=O)N2CCCC2)nc2ccsc2c1=O 57487602 ODNFPXJIJKHUCS-UHFFFAOYSA-N 401.513 3.170 0 40 HGAB CCCS(=O)(=O)c1ccccc1C(=O)Nc1ccc(OCCn2ccnc2)cc1 57991192 JKWMPWSFARMCSC-UHFFFAOYSA-N 413.499 3.398 0 40 HGAB O=C(NCc1ccc2c(c1)OCO2)Nc1ccc2c(ccn2CCN2CCOCC2)c1 58245628 RBOIYKOLPCYNFS-UHFFFAOYSA-N 422.485 3.024 0 40 HGAB Cc1ccc(C)c(OC[C@H](O)Cn2cnc3c(NCc4ccccc4)ncnc32)c1 69488600 RWBVSYJQBZRUKU-LJQANCHMSA-N 403.486 3.495 0 40 HGAB O=C(c1ccc(N2CCCS2(=O)=O)cc1)N1CCC(Nc2ccc(F)cc2)CC1 71826914 LYXVOTXTARTJBJ-UHFFFAOYSA-N 417.506 3.082 0 40 HGAB C[C@H](C(=O)N1CCC2(CC1)C[C@]1(CO2)NC(=O)c2ccccc2N1)c1ccccc1 72325233 ZAOPVGLSKIYUJD-BXKMTCNYSA-N 405.498 3.123 0 40 HGAB C[C@H]1C[C@H](C(F)(F)F)n2nc(C(=O)OCC(=O)Nc3ccc(F)cc3)cc2N1 72333702 HMQWQVHAHLQJDP-TVQRCGJNSA-N 400.332 3.125 0 40 HGAB CCC(=O)N1CCO[C@](Cc2cccc(-c3ccc(C)cc3)c2)(C(=O)NC2CC2)C1 72389167 CAAIWLSGQALIOH-VWLOTQADSA-N 406.526 3.491 0 40 HGAB COCCOC1CN(C(=O)c2ccccc2C(=O)c2ccc(Br)cc2)C1 78976285 SBIKMFUVAFBJJV-UHFFFAOYSA-N 418.287 3.168 0 40 HGAB CC[C@@H](C)N1C(=O)c2ccccc2[C@H](C(=O)NCCC(=O)OC)C12CCCCC2 79474364 VYUULQKCPSFQPF-OXQOHEQNSA-N 400.519 3.407 0 40 HGAB COCCOc1ccccc1N1CCN(C(=O)[C@@H]2SCCc3ccccc32)CC1 83911922 KNFJTWLMYJIKQE-JOCHJYFZSA-N 412.555 3.391 0 40 HGAB Cc1nc(OCC(=O)Nc2cccc(-c3csc(C)n3)c2)cc(-n2cccn2)n1 90607703 DAANPGLQXPWNGX-UHFFFAOYSA-N 406.471 3.420 0 40 HGAB COc1cccc(N[C@H]2COC3(CCN(S(=O)(=O)c4cccc(F)c4)CC3)C2)c1 96221469 LVGGNAJLBWKLBJ-GOSISDBHSA-N 420.506 3.259 0 40 HGAB O=C(Nc1ccccc1Cc1nc(-c2ccco2)no1)c1cccc(-n2cnnn2)c1 96357641 JLNHYXRNKMVNSG-UHFFFAOYSA-N 413.397 3.148 0 40 HGAB COc1cc2c(c([C@@H]3C(=O)N(C)c4ccc(Br)cc43)c1OC)OCO2 104271174 NPAZPZFMNALWKW-CQSZACIVSA-N 406.232 3.303 0 40 HGAB COC(=O)[C@@H]1C[C@H](Oc2ccccc2F)CN1C(=O)c1ccc(Br)o1 206801846 UPPWLHWSXHLQRI-JQWIXIFHSA-N 412.211 3.016 0 40 HGAB CCOc1cccc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)c1 219756121 WVVKRZZSPNZKMV-IBGZPJMESA-N 422.934 3.208 0 40 HGAB COc1ccc(CN(C(C)=O)[C@H](Cc2ccccc2)C(=O)NCc2ccncc2)cc1 223260588 IGLOKGPWOADESO-XMMPIXPASA-N 417.509 3.366 0 40 HGAB CN(Cc1ncc(C(=O)NC2CCCCC2)cn1)S(=O)(=O)c1ccc(Cl)cc1 223390052 YUGQJBZBMCLQIW-UHFFFAOYSA-N 422.938 3.013 0 40 HGAB CC[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(C)c(C)c1 225563577 PEKJKEWBFNCAJW-NRFANRHFSA-N 416.543 3.205 0 40 HGAB Cc1ccc2c(c1)[C@@H](NC(=O)CN(Cc1ccccc1)S(C)(=O)=O)CC(C)(C)O2 225697440 RQHAYZPTFXTLKC-IBGZPJMESA-N 416.543 3.175 0 40 HGAB COc1ccc(NC(=S)NCc2nc(-c3cccc(Br)c3)no2)cn1 225826549 QICFICDNXHCRGQ-UHFFFAOYSA-N 420.292 3.389 0 40 HGAB CC(C)(C(=O)N1CC[C@]2(COCc3cncnc32)C1)c1ccc(Br)cc1 248167680 PJSDPWRBBFDKRG-HXUWFJFHSA-N 416.319 3.217 0 40 HGAB Cc1cc(N2CCC(CNC(=O)C(=O)Nc3ccccc3C(F)(F)F)CC2)ccn1 253395478 BYEYULQXZRINHB-UHFFFAOYSA-N 420.435 3.380 0 40 HGAB Cc1cc(-c2nccn2C)nc([C@H]2CCCN(C(=O)c3n[nH]c4ccccc34)C2)n1 257230143 GAZSPOJANAKLBF-HNNXBMFYSA-N 401.474 3.082 0 40 HGAB CN(c1ccc(CC(=O)NC[C@H]2CCCO2)cc1)S(=O)(=O)c1ccc(Cl)cc1 260825451 GGKVFPJXNIDMIS-GOSISDBHSA-N 422.934 3.003 0 40 HGAB COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N[C@H](C)C(C)C)cc2)cc1OC 260899791 PXNRCRZLUNQOOY-OAHLLOKOSA-N 420.531 3.303 0 40 HGAB Cc1ccc(-c2nnc3n(c2=O)CCC32CCN(Cc3cccc(C)n3)CC2)cc1 306123183 AGOAUADXDICMHI-UHFFFAOYSA-N 401.514 3.255 0 40 HGAB COc1ccc(C(=O)COC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3C)C2)cc1 408659521 VWPRFCDSFNBHGL-HNNXBMFYSA-N 401.846 3.436 0 40 HGAB CCC[C@H](C)NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(OC)cc1 409388576 MPLDXJHGSWBANR-KRWDZBQOSA-N 404.532 3.191 0 40 HGAB O=C1[C@H]2[C@H]3C[C@H]4[C@@H]2[C@]2(C(=O)N5CCC(c6cccc(Br)c6)CC5)[C@H]1[C@H]3[C@@H]42 505237117 CAIKKAYXXHVGBF-PYBGBSNKSA-N 412.327 3.482 0 40 HGAB COc1c2c(cc3c1[C@H](CC(=O)C1(c4ccccc4)CCNCC1)N(C)CC3)OCO2 524731499 ACFKGJUPVHJCNO-IBGZPJMESA-N 422.525 3.234 0 40 HGAB biogenic CC(C)(C)c1noc(-c2ccccc2C(=O)N[C@@H]2CCCN(CC(F)(F)F)C2=O)n1 532562696 XVMFLJVELBTNFE-CQSZACIVSA-N 424.423 3.317 0 40 HGAB O=C(O)c1ccc(S(=O)(=O)NCc2ccc(Oc3ccc(F)cc3)nc2)cc1 550934105 VSRYAFTYJXQDMU-UHFFFAOYSA-N 402.403 3.190 0 40 HGAB Cc1nc(/C=C/C(=O)N2CCC[C@@H](Cc3ccc(Nc4ccccn4)nn3)C2)cs1 585291863 UMYJRQQGWLFTPE-VMSUTVGLSA-N 420.542 3.875 0 40 HGAB Cc1ccc(Cl)cc1N1CC[C@@H](CNC(=O)NCc2nnc3n2CCCCC3)C1 588185238 KGWVRHLXGPBDMS-INIZCTEOSA-N 416.957 3.292 0 40 HGAB CCOC(=O)Cn1cnc(NC(=O)NC2(c3cccc(C(F)(F)F)c3)CCC2)n1 1562976630 MLMYWHHDMJWFKH-UHFFFAOYSA-N 411.384 3.061 0 40 HGAB O=C([C@@H]1CN(CC2CCOCC2)[C@H]2c3cc(F)ccc3OC[C@@H]12)N1CCCCC1 1772595918 SJCCNKPNDYDUFD-URVUXULASA-N 402.510 3.246 0 40 HGAB Cc1nc(N2C[C@@H]3CN(c4ncccc4C(F)(F)F)C[C@H]3C2)c2ccncc2n1 1888913722 NAOONHQIONKVNN-ZIAGYGMSSA-N 400.408 3.320 0 40 HGAB COC(=O)c1ccc2c(c1)C(=O)N(c1ccc(I)cc1C)C2=O 797309 OZEGEYUBQWGRSI-UHFFFAOYSA-N 421.190 3.187 0 40 HGAB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OC(=O)c1cccs1 956319 IQDZTLYSQYKKOL-MRXNPFEDSA-N 402.497 3.323 0 40 HGAB CN(CCOC(=O)c1ccc(C(C)(C)C)cc1)C1=NS(=O)(=O)c2ccccc21 1420854 FCBQSFSLBGNUIH-UHFFFAOYSA-N 400.500 3.222 0 40 HGAB CN(C)CCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCN(C)C3 2413101 HEPBOBDMPQYVQC-UHFFFAOYSA-N 400.573 3.089 0 40 HGAB Cc1ccc(S(=O)(=O)Cc2c(Br)c(=O)n(-c3ccccc3)n2C)cc1 2543386 UCXQTLXFCMLIBT-UHFFFAOYSA-N 421.316 3.221 0 40 HGAB Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)OCC(=O)NCC(F)(F)F)cc12 2656052 OKGFJHLGTQPVCU-UHFFFAOYSA-N 415.368 3.370 0 40 HGAB CCOC(=O)[C@@H](C)Oc1cccc2c(=O)n(CC(=O)Nc3cccc(C)c3)ccc12 2712268 RUQGJNHHSQNREP-MRXNPFEDSA-N 408.454 3.279 0 40 HGAB CC(C)CCN1C(=O)c2ccc(C(=O)OCC(=O)N3CCc4ccccc43)cc2C1=O 3296155 PBDDATONXBRUNX-UHFFFAOYSA-N 420.465 3.075 0 40 HGAB CC(C)c1cc(C(=O)OCC(=O)NC(=O)NCc2ccco2)c(O)c(C(C)C)c1 3358238 GWQUSHFBKKWKTE-UHFFFAOYSA-N 402.447 3.415 0 40 HGAB C[C@H]1Cc2nc(SCC(=O)Nc3nc4ccccc4s3)n(C)c(=O)c2S1 4107752 KBBRRKHUUMDJSM-VIFPVBQESA-N 404.542 3.158 0 40 HGAB aggregator COc1ccc(C(=O)CSc2ncnc3c2nnn3Cc2ccc(F)cc2)cc1 4166496 YPLMSMDSGYSPAM-UHFFFAOYSA-N 409.446 3.392 0 40 HGAB COc1ccc(C)cc1-n1ccn(CC(=O)Nc2ccc(C(C)C)cc2)c(=O)c1=O 4570020 PRZDGJOMYPVICG-UHFFFAOYSA-N 407.470 3.078 0 40 HGAB Cc1ccc(-c2nnc(SCC(=O)N3CCN(c4ccccc4)CC3)n2C)cc1 4711378 FBAQXYBDTYYSOV-UHFFFAOYSA-N 407.543 3.231 0 40 HGAB CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)C)N3CCC(C)CC3)cc2c1 4848718 QZJUNHGSMDSKQR-HXUWFJFHSA-N 410.522 3.316 0 40 HGAB CCOC(=O)c1nn(-c2ccc(C)cc2)c(=O)cc1OCC(=O)Nc1ccccc1C 4853574 LRGFWMUDWBPELC-UHFFFAOYSA-N 421.453 3.044 0 40 HGAB COc1ccccc1N1C(=O)[C@H]2ON(c3ccccc3)[C@H](c3ccc(O)cc3)[C@H]2C1=O 5024926 CAUKAGFZMJWBNQ-VSKRKVRLSA-N 416.433 3.452 0 40 HGAB CCN(CC(=O)NC(C)(C)C)S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F 6314127 ZDEDQTPZXOWFPX-UHFFFAOYSA-N 400.850 3.284 0 40 HGAB CCOc1cc(-c2nc3ccccc3c(=O)[nH]2)cc(I)c1O 6605884 ANSUUSJTLPCOKP-UHFFFAOYSA-N 408.195 3.299 0 40 HGAB Cc1cc(=O)oc2cc(O[C@H](C)C(=O)NC[C@H](O)c3ccccc3)c(Cl)cc12 6659527 SRLHQVPRZXJXJR-DYVFJYSZSA-N 401.846 3.372 0 40 HGAB COc1ccc(OC)c(NC(=O)[C@@]2(CC(=O)O)CC(/C=C/c3ccccc3)=NO2)c1 6660722 KYYLPCKJQJSKIM-UVIRAJKCSA-N 410.426 3.346 0 40 HGAB CC[C@H](C(=O)Nc1nnc(S(=O)(=O)N(C)c2ccccc2)s1)c1ccccc1 6818290 XENQPYGPMKCTTC-INIZCTEOSA-N 416.528 3.496 0 40 HGAB CCOc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)O 6960961 DIJBEQRMEKRTES-OQLLNIDSSA-N 416.817 3.299 0 40 HGAB COc1ccc(OC)c([C@@H](C)NC(=O)CSc2nc(-c3ccccc3)cn2N)c1 7154388 SGOHVYVZWNHKFR-CQSZACIVSA-N 412.515 3.251 0 40 HGAB CCOc1cc2c(cc1CNC(=O)CSc1nnc3n1CCCCC3)O[C@H](C)C2 7281030 REHDKFPWOYWFEP-CQSZACIVSA-N 416.547 3.135 0 40 HGAB CCOC(=O)c1oc2ccccc2c1COC(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12 7433711 ZDTNDMCEEBQJPS-XOBRGWDASA-N 403.456 3.107 0 40 HGAB O=c1[nH]c2ccc(S(=O)(=O)NCCC(c3ccccc3)c3ccccc3)cc2[nH]1 7667915 SQYUPNXEIUFFDW-UHFFFAOYSA-N 407.495 3.357 0 40 HGAB CN(CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1)Cc1ccccc1F 7911010 LPRWJPPSTJYBFL-UHFFFAOYSA-N 407.371 3.496 0 40 HGAB O=c1[nH]c(CSc2nnc(NC[C@H]3CCCO3)s2)nc2ccc(Cl)cc12 8356511 HSKPLOCLRXRHNE-SNVBAGLBSA-N 409.924 3.311 0 40 HGAB CCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)Cc1cc(F)ccc1OC 8425358 UMSZJKMDKMFFFO-UHFFFAOYSA-N 401.438 3.110 0 40 HGAB O=C(c1cc(Cl)sc1Cl)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 8935507 PWLPEGQTAXADRV-UHFFFAOYSA-N 423.318 3.341 0 40 HGAB COc1ccc([C@H]2C/C(=C3\C(=O)NC(=O)N(C)C3=O)Nc3ccccc3S2)cc1 8974848 ZOCQHPYFXVNTJI-KCGBVJQISA-N 409.467 3.307 0 40 HGAB COc1ccc(NC(=O)CSc2nnc3n2CCN3c2ccccc2)cc1OC 9573911 GNHMJAYTPOLFOJ-UHFFFAOYSA-N 411.487 3.178 0 40 HGAB O=C(CNc1cccc(C(F)(F)F)c1)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1 11125127 AAVASZXSMDRWAI-KRWDZBQOSA-N 412.433 3.338 0 40 HGAB COc1cccc(-n2ccnc2S[C@@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c1 12520696 KPIAXMOWCOLTCH-LBPRGKRZSA-N 409.471 3.170 0 40 HGAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)OC(=O)CCn1cnc2sccc2c1=O 12876654 JVRIAEPVVFJKNN-ZDUSSCGKSA-N 409.467 3.452 0 40 HGAB CCCN(Cn1nc(Nc2cccc(F)c2)sc1=S)[C@H]1CCS(=O)(=O)C1 12924449 PAAIEYIASOFINS-AWEZNQCLSA-N 416.569 3.413 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccc(C)c(Cl)c2)cc1 12982261 OOPPLDBMUSGSSD-SFHVURJKSA-N 408.907 3.449 0 40 HGAB CNC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccccc1-c1ccccc1 12984560 KSLSLMCSPIEYCD-NRFANRHFSA-N 406.507 3.215 0 40 HGAB O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)Nc1ccnn1Cc1ccccc1Cl 13020322 RZDUIFHGDJMWDM-HOTGVXAUSA-N 414.893 3.089 0 40 HGAB COc1ccccc1-c1nnc(S[C@@H](C(=O)N2CCCC2)c2ccccc2)n1N 13165302 BNMJGBRYGJEJLZ-GOSISDBHSA-N 409.515 3.123 0 40 HGAB Cc1cc(=O)n2ncc(C(=O)N3C[C@H]4C5c6ccccc6C(c6ccccc65)[C@@H]4C3)c2[nH]1 13566633 PCBUXHUMZDJTSD-WXYTXABISA-N 422.488 3.310 0 40 HGAB C/C(=C/C(=O)Nc1ccc(C(=O)OCC(=O)Nc2cc(C)cc(C)c2)cc1)C(=O)O 13579302 CLLPESKKEWCCHH-PTNGSMBKSA-N 410.426 3.068 0 40 HGAB CNC(=S)N1CCc2cc(OC)c(OC)cc2[C@H]1c1ccc(OC)c(OC)c1 13721611 MHROUWRUXFIQBB-HXUWFJFHSA-N 402.516 3.173 0 40 HGAB biogenic CCC(=O)Nc1ccccc1C(=O)OCc1cc(=O)n2nc(CC(C)C)sc2n1 15771837 DQIFQYUNBNEUAK-UHFFFAOYSA-N 414.487 3.055 0 40 HGAB Cn1c(=O)n(C)c2cc([C@H](O)COc3ccc(CNC4CCCCC4)cc3)ccc21 16363900 GPPXMIQGKGMCDQ-HSZRJFAPSA-N 409.530 3.412 0 40 HGAB O=C(Nc1ccncc1)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 17583947 GPROTOOQVVXZJQ-UHFFFAOYSA-N 413.421 3.140 0 40 HGAB C[C@@H](Cn1cncn1)C(=O)N[C@@H](CCc1ccccc1)c1ccc2c(c1)OCCO2 19457835 XPNAKSLQOVKOLN-PXNSSMCTSA-N 406.486 3.176 0 40 HGAB C[C@@H]1Oc2ccccc2N([C@H](C)C(=O)Nc2ccccc2OCCn2cccn2)C1=O 19462074 UXGLFDZEXWQJGT-SJORKVTESA-N 420.469 3.103 0 40 HGAB O=C(c1ccc(N2CCOCC2)cc1)N1CCN(c2nc3ccccc3s2)CC1 19660162 WUZMPSBQPCLNPW-UHFFFAOYSA-N 408.527 3.095 0 40 HGAB COc1ccc([C@@H](C)NC(=O)CN(C)S(=O)(=O)c2ccc3ccccc3c2)cc1 20013522 TXGJOUMDUSMWRI-MRXNPFEDSA-N 412.511 3.346 0 40 HGAB C[C@@H]1CCCC[C@@]12NC(=O)N(CN1CCN(Cc3cccc4ccccc34)CC1)C2=O 22775552 QKBZUDWIOHERIE-KBMIEXCESA-N 420.557 3.416 0 40 HGAB Cc1c(O)ccc2c(CN3CCC(NC(=O)c4ccc(F)cc4)CC3)cc(=O)oc12 23147547 HADJXDQBIRUPTJ-UHFFFAOYSA-N 410.445 3.341 0 40 HGAB COc1ccc(CN2CCN(C(=O)c3[nH]c(C)c(C(=O)OC(C)C)c3C)CC2)cc1 23761790 ZURFZWCOLSIEMX-UHFFFAOYSA-N 413.518 3.163 0 40 HGAB CSc1ccc(CN(C)C(=O)CN2C(=O)N[C@@](C)(c3ccc(C)cc3)C2=O)cc1 23804858 QERYRBWMPGXUHQ-QFIPXVFZSA-N 411.527 3.143 0 40 HGAB C/C=C/c1ccc(OCC(=O)OCCCN2C(=O)c3ccccc3C2=O)c(OC)c1 24728299 FOMQKNUCEJAOAV-XVNBXDOJSA-N 409.438 3.337 0 40 HGAB COC(=O)c1c(C)nc(C)nc1SCC(=O)NCCSc1ccc(C)cc1 24773940 SMHDOTQQBDKSKP-UHFFFAOYSA-N 405.545 3.189 0 40 HGAB CCCc1ccc(NC(=O)Cn2nc(C)c(S(=O)(=O)N(CC)CC)c2C)cc1 24838850 BNHJTISKYJLLMO-UHFFFAOYSA-N 406.552 3.122 0 40 HGAB CN(C)[C@@H](CNC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1)c1ccsc1 25331873 BRXOMERSDNVWPN-IBGZPJMESA-N 421.513 3.298 0 40 HGAB Cc1ccc(-n2nnnc2SCC(=O)Nc2ccc(C(=O)O)cc2)cc1Cl 27645773 GKPVZCNODNGHRO-UHFFFAOYSA-N 403.851 3.053 0 40 HGAB COc1ccc([C@@H](NC(=O)c2nc(SC)ncc2Cl)c2nccn2C)cc1 29647916 GXMHIDIFCXVJJC-CQSZACIVSA-N 403.895 3.113 0 40 HGAB COc1cccc(-n2cnc3cc(C(=O)NCc4ccccc4OC)ccc3c2=O)c1 32103560 IJDXAFFCMDFBFB-UHFFFAOYSA-N 415.449 3.333 0 40 HGAB CC[C@H](C(=O)N[C@H](C)c1ccc(OC)cc1)N(c1ccc(F)cc1)S(C)(=O)=O 36124354 CUIXJJLLBXAQRX-AUUYWEPGSA-N 408.495 3.256 0 40 HGAB CCOc1c(C(N)=O)cn(C)c1-c1nc2cc(NC(=O)c3ccccc3)ccc2n1C 36370123 VYISXYJDZBQIME-UHFFFAOYSA-N 417.469 3.329 0 40 HGAB biogenic COc1cccc(-c2cc(C(=O)NCc3c(C)nn(C)c3C)c3c(C)nn(C)c3n2)c1 36615906 IUEAESFZCYKMAN-UHFFFAOYSA-N 418.501 3.233 0 40 HGAB Cc1ccccc1CNC(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(C(C)(C)C)ccc2O1 38848747 UIGKGTMJLZYYHY-FQEVSTJZSA-N 416.543 3.136 0 40 HGAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2ccc(F)cc2F)cc1C 39986237 LXKSVPMOZQPZHZ-UHFFFAOYSA-N 412.458 3.321 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc2nnc(SCc3ccc(OC)c(F)c3)n2c1 40023478 PPEQYXLWOUBMAV-UHFFFAOYSA-N 424.523 3.200 0 40 HGAB C[C@H](OC(=O)CNC(=O)COc1ccccc1)c1nc2ccccc2n1C(F)F 40032243 PPCNQEFOPCJMBW-ZDUSSCGKSA-N 403.385 3.231 0 40 HGAB Cc1c([C@@H](C)NC(=O)c2ccc(N3C(=O)CCC3=O)cc2)cnn1-c1ccc(F)cc1 40071066 ACMZXPCZYNHFSV-CQSZACIVSA-N 420.444 3.464 0 40 HGAB C[C@@]12CCC(=O)N1c1ccccc1C(=O)N2CCCC(=O)N1CCc2ccccc21 40073413 BMJHCRPTHQSOMH-DEOSSOPVSA-N 403.482 3.355 0 40 HGAB CN(Cc1ccccc1)C(=O)CN1C(=O)N[C@](C)(c2cccc(C(F)(F)F)c2)C1=O 40116888 DLQAFYRBWCOHHV-HXUWFJFHSA-N 419.403 3.131 0 40 HGAB Cc1ccc(Oc2ccc(NC(=O)[C@H]3CCCN(S(C)(=O)=O)C3)cn2)cc1C 40122680 WDCFGKSCIKJGHL-INIZCTEOSA-N 403.504 3.101 0 40 HGAB CCN(CC)CCCNC(=O)C1CCN(Cc2noc(-c3cccc(C)c3)n2)CC1 40127621 DSQOZSSJSIUCDS-UHFFFAOYSA-N 413.566 3.105 0 40 HGAB COc1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)ccc1OCC(=O)NC(C)C 40140058 GHVIKCHARFQZJH-UHFFFAOYSA-N 400.519 3.297 0 40 HGAB CSc1nn(CC(=O)Nc2cccc(Cl)c2)c2nc3sc(C)cc3c(=O)n12 40284107 ODEXLYVMRQBBKV-UHFFFAOYSA-N 419.919 3.428 0 40 HGAB CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)Nc1ccc(OC)c(Cl)c1 40284918 SAHLZMAKAWLYNL-NRFANRHFSA-N 413.861 3.286 0 40 HGAB NC(=O)C1CCN([C@H](c2ccc(Cl)cc2)c2nnnn2C2CCCCC2)CC1 57669518 MCNQALHYXJINQS-GOSISDBHSA-N 402.930 3.118 0 40 HGAB CCOC(=O)[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)c1cncc(Br)c1 58327394 SDRXBMZECZEQGX-OAHLLOKOSA-N 413.218 3.499 0 40 HGAB CCn1c(SCC(=O)Nc2nccs2)nnc1-c1ccc(NC(C)=O)cc1 59099209 OXNBFCBHGUAWPV-UHFFFAOYSA-N 402.505 3.111 0 40 HGAB O=C(CCCOc1ccccc1Br)N[C@H]1CS(=O)(=O)c2ccccc21 72288628 HLDSLOSSRJDIEP-HNNXBMFYSA-N 424.316 3.253 0 40 HGAB Cc1nc(Nc2ncc(C)s2)cc([C@@H]2CCCN2S(=O)(=O)N2CCCCC2)n1 72359922 OQFJGJGIKRCENC-INIZCTEOSA-N 422.580 3.161 0 40 HGAB CCOc1ccc(CC(=O)N2CCC[C@@H](c3cc(C(F)F)n4ncnc4n3)C2)cc1 72395334 FXXOJBCQFQTKSC-OAHLLOKOSA-N 415.444 3.409 0 40 HGAB Cc1nc2n(n1)CCC[C@H]2NC(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1 79048999 QOJZHRNVJSFMIR-OAHLLOKOSA-N 405.487 3.161 0 40 HGAB CN(C(=O)Nc1cccc(COc2ccc3c(c2)OCO3)c1)C1CCS(=O)CC1 79101097 YQCOITZCMHMUEH-UHFFFAOYSA-N 416.499 3.369 0 40 HGAB COCc1ccccc1NS(=O)(=O)c1cc(C(=O)O)c(F)cc1Br 89420391 PWTJLMKBMNKRDW-UHFFFAOYSA-N 418.240 3.234 0 40 HGAB COC(=O)c1c(NC(=O)CN2CC[C@H](CN3CCCC3)C2)sc2c1CC[C@H](C)C2 89930119 KZAWAGDFWRAJQK-JKSUJKDBSA-N 419.591 3.016 0 40 HGAB Cc1ccc(N2C(=O)CN(CCC3=CCCCC3)[C@H]3CS(=O)(=O)C[C@H]32)cc1Cl 95000188 XOOHJWWKFBOMBQ-VQTJNVASSA-N 422.978 3.353 0 40 HGAB O=C(COC(=O)[C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1)Nc1ccccc1Cl 95466475 RXIFUAGXNQCXGX-SECBINFHSA-N 401.772 3.369 0 40 HGAB CCN1CCn2c(-c3ccccc3)cnc2C12CCN(C(=O)c1cccnc1)CC2 96037042 RHYCOFQTZQCDCF-UHFFFAOYSA-N 401.514 3.412 0 40 HGAB Cc1ccc(CN2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CCN3C)s1 96050107 CLUCRERYHKSSFQ-UHFFFAOYSA-N 404.605 3.130 0 40 HGAB Cc1cccc(C(=O)N2CCC3(CC2)C[C@@H](CC(=O)N(C)C)c2ccccc2O3)n1 96053184 DBQHNHCGEALJGQ-GOSISDBHSA-N 407.514 3.409 0 40 HGAB C[C@@H](C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 96902030 QFBGIEXSWRROJI-WCFLWFBJSA-N 417.437 3.367 0 40 HGAB COc1cccc(N([C@@H](C)C(=O)Nc2cccc(OC(C)C)c2)S(C)(=O)=O)c1 220173534 WPBDTWYAZUWTRW-HNNXBMFYSA-N 406.504 3.276 0 40 HGAB C[C@@H](C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21)N(c1cccc(F)c1)S(C)(=O)=O 220486075 PREHPGWTEYYIHH-KBXCAEBGSA-N 420.506 3.399 0 40 HGAB CC[C@@H](C(=O)NCc1ccc(OC)cc1)N(c1cc(C)ccc1C)S(C)(=O)=O 220535720 VDGXHEXBZNJUTH-IBGZPJMESA-N 404.532 3.173 0 40 HGAB C[C@H]1Cc2cc(Br)ccc2N1S(=O)(=O)c1ccc2[nH]c(=O)oc2c1 223026575 ZHFRERXSWCFIJU-VIFPVBQESA-N 409.261 3.024 0 40 HGAB Cc1ccc(OC[C@@H](C)NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)cc1 223165668 STYFSXGULDLPKA-MRXNPFEDSA-N 414.527 3.040 0 40 HGAB Cc1cc(S(=O)(=O)Nc2nnc(SC(C)C)s2)ccc1N1CCCC1=O 224848363 GPERFJINMLRCRR-UHFFFAOYSA-N 412.562 3.275 0 40 HGAB COc1ccc(OC[C@H](C)NS(=O)(=O)c2cc3c(cc2OC)CCCC3)cc1 224890733 OYYILJOXKCEWSJ-HNNXBMFYSA-N 405.516 3.328 0 40 HGAB Cn1c(=O)sc2cc(NC(=O)c3ccc(I)cc3)ccc21 225023341 COQTZRUEAFNPCM-UHFFFAOYSA-N 410.236 3.457 0 40 HGAB COc1ccccc1N(CC(=O)N[C@@H](C)C(C)C)S(=O)(=O)c1ccc(C)cc1 225196517 LYQGRSMMYUGIPV-KRWDZBQOSA-N 404.532 3.360 0 40 HGAB CC(C)n1nccc1NC(=O)COc1nn(-c2ccccc2)cc1Br 227151372 AJECTMUSYYMQLV-UHFFFAOYSA-N 404.268 3.430 0 40 HGAB CC(=O)N1CCc2nc3cc([C@@H]4CCCCN4C[C@@H]4CC=CCC4)nn3c(O)c2C1 247929468 JKEUSCCXKRDTLI-UTKZUKDTSA-N 409.534 3.223 0 40 HGAB O=C(NCc1cccnc1N1CCCC1)c1cnc(OC2CCOCC2)c(Cl)c1 253472826 PSAPBCIRUCATRP-UHFFFAOYSA-N 416.909 3.218 0 40 HGAB O=C(O)c1nn(-c2ccc(Cl)cc2)nc1N1CCN(c2ccccc2F)CC1 256047639 NQLRQAHMCPBWAM-UHFFFAOYSA-N 401.829 3.085 0 40 HGAB Cc1cccc(C)c1OCC(=O)N1CCC[C@H]1c1cncc(Nc2cnccn2)n1 257222733 DULTUDXLHALVMO-SFHVURJKSA-N 404.474 3.370 0 40 HGAB CNC(=O)[C@]1(c2ccccn2)CCCN(C(=O)C2(c3ccccc3F)CCCC2)C1 257274160 NJVBJYXZBHSLGD-XMMPIXPASA-N 409.505 3.339 0 40 HGAB COc1cccc(N(CCCC(=O)N[C@H](C)CCc2ccccc2)S(C)(=O)=O)c1 260504513 JCLCJXIEBXDWTK-GOSISDBHSA-N 418.559 3.379 0 40 HGAB Cc1cc(-c2cccnc2)nn1CCNS(=O)(=O)c1ccc(C(F)(F)F)cc1 390826837 QDJDUORWVIEWQK-UHFFFAOYSA-N 410.421 3.251 0 40 HGAB COc1ccc(-c2nnc(CN(C)C(=O)COc3cccc(C)c3C)o2)cc1OC 408714620 SUVHALZXWRGEHE-UHFFFAOYSA-N 411.458 3.408 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCCCCC3)C2)cc1Cl 409392725 TVNGKPOHEGKSOU-OAHLLOKOSA-N 414.955 3.152 0 40 HGAB COc1ccc(C(=O)N2CC[C@@H](CC(=O)O)[C@@H](Cc3nc4ccccc4n3C)C2)cc1 514289142 IOLMBNYNHBBWLW-ROUUACIJSA-N 421.497 3.378 0 40 HGAB biogenic,in-vitro CN(C)S(=O)(=O)c1cc(C(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)co1 534387889 DERZYVAYAPNGEN-HXUWFJFHSA-N 410.495 3.318 0 40 HGAB CC1(C)CN([C@@H](CNC(=O)c2cnc3n2CCCC3)c2ccc(Cl)cc2)CCO1 551760858 ASEUASXVKLKKBQ-SFHVURJKSA-N 416.953 3.455 0 40 HGAB Cc1ccc(Cl)c(OC[C@]2(O)CCCN(CC(=O)NCc3ccccc3)C2)c1 585274166 TVPWFAWGVLWCRO-QFIPXVFZSA-N 402.922 3.171 0 40 HGAB Cc1nc(Nc2nncs2)cc([C@H]2CCCN(C(=O)/C=C/c3ccccc3)C2)n1 585291359 BLWIHISPVPMSJT-FVNWOWOISA-N 406.515 3.800 0 40 HGAB CCc1nn2c(c1-c1ccccc1)NN=C(S(C)(=O)=O)[C@@H]2c1ccc(OC)cc1 618256619 KBWWDTYRLGYGAP-IBGZPJMESA-N 410.499 3.494 0 40 HGAB CS(=O)(=O)N1CCC(c2nnc3sc(/C=C/c4cccc(Cl)c4)nn23)CC1 1501040383 OPNRHFXNIJKADS-AATRIKPKSA-N 423.951 3.149 0 40 HGAB C[C@@H]1CN(C[C@H](Cc2ccccc2)C(=O)NCC(=O)O)CC[C@]1(C)c1cccc(O)c1 598850 UPNUIXSCZBYVBB-AOUJKTHWSA-N 424.541 3.051 0 40 HGAB O=C1C[C@H](n2nc(COc3ccccc3)n(-c3ccccc3)c2=S)[C@H]2CO[C@@H]1O2 708313 FBIOLMDPKYLULT-ILZDJORESA-N 409.467 3.238 0 40 HGAB CSc1nc(Cl)cc(N2CCN(c3cc(Cl)nc(SC)n3)CC2)n1 1398316 MWGZCYPWYZRTIH-UHFFFAOYSA-N 403.364 3.344 0 40 HGAB CCCCN1C(=O)[C@](O)(CC(=O)c2cccnc2)c2cc(Br)ccc21 2493097 IIHMEZLVOGGTDE-IBGZPJMESA-N 403.276 3.451 0 40 HGAB COc1cc(CC(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C)C3)cc(OC)c1OC 2640124 WOEPSYILYIRLME-NSHDSACASA-N 418.515 3.179 0 40 HGAB O=C(NC[C@H]1CCCO1)c1ccc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1 3417356 CWDYRFODLYVLRF-CQSZACIVSA-N 412.870 3.189 0 40 HGAB CC1(C)O[C@H]2[C@H](O1)[C@H]1OC(C)(C)O[C@@H]1O[C@H]2C(=O)Nc1ccccc1C(F)(F)F 4393244 GSQCRPFGOPNVJK-JAAXMTQOSA-N 417.380 3.040 0 40 HGAB COc1ccc(N2C(=O)N(c3ccc(C)c(Cl)c3)[C@H]3CS(=O)(=O)C[C@@H]32)cc1 4393698 KUYYHNKNPBHHQP-ROUUACIJSA-N 406.891 3.269 0 40 HGAB COc1cccc(C(=O)NC2C[C@@H]3CCC[C@H](C2)N3CC(=O)Nc2ccccc2)c1 4400165 NLSUYCKVYNOBGU-SEJPIABJSA-N 407.514 3.449 0 40 HGAB COc1ccc(C(=O)COC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)c(OC)c1 4988696 KQWQKISNVVLSBL-SFHVURJKSA-N 400.427 3.301 0 40 HGAB COc1ccc(OCCSc2nnc(CNC(=O)c3cccc(C)c3)n2C)cc1 4998643 AYBSWBZTIPXJSJ-UHFFFAOYSA-N 412.515 3.233 0 40 HGAB Fc1cccc(-c2ccnc(N[C@H]3CO[C@@H]4[C@H](OCc5ccccc5)CO[C@H]34)n2)c1 5434200 KYRHYOJIAIAKPP-DXBBTUNJSA-N 407.445 3.446 0 40 HGAB biogenic,in-vitro COc1ccc(N(CC(=O)NCCC(C)C)S(=O)(=O)c2ccccc2)cc1OC 6325679 JGPTYVQYSMQXCL-UHFFFAOYSA-N 420.531 3.061 0 40 HGAB NC(=O)[C@@H]1CCCCN1C(=O)/C=C/c1cn(Cc2ccccc2)nc1-c1ccccc1 6590848 AOMAZXMTZDRQCB-FRFYRWIFSA-N 414.509 3.478 0 40 HGAB CCCCCNC(=O)COc1ccc(S(=O)(=O)Nc2ccc(OC)cc2)cc1 6706699 NCCANMJKQIBXQN-UHFFFAOYSA-N 406.504 3.181 0 40 HGAB Cc1ccc(C)c(NC(=O)c2nnn(CC(=O)Nc3ccc(C)c(Cl)c3)c2N)c1 6999939 DRKPQQHBIYLILP-UHFFFAOYSA-N 412.881 3.330 0 40 HGAB O=C(c1cccs1)N1CCC(C(=O)N2CCN(c3ccc(F)cc3)CC2)CC1 7130995 FFKKGGUOSBIPLG-UHFFFAOYSA-N 401.507 3.088 0 40 HGAB COc1ccc(NS(=O)(=O)c2ccc(OC)c(C(=O)N3CCCCC3)c2)cc1 7361479 APDUMQBIDGDIIE-UHFFFAOYSA-N 404.488 3.131 0 40 HGAB COc1ccc(-c2cc3c(=O)n(CC(=O)Nc4cc(F)ccc4C)ccn3n2)cc1 7615964 XJXRJEBMNVBGPK-UHFFFAOYSA-N 406.417 3.258 0 40 HGAB C[C@@H]1CCc2c(sc(NC(=O)C3=NN(c4ccccc4)C(=O)CC3)c2C(N)=O)C1 7986485 VOCQTLDEBDKHDX-GFCCVEGCSA-N 410.499 3.093 0 40 HGAB CCN(Cc1ccc(OC)c(F)c1)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O 8344645 SAZCJXRRXFQKHJ-NRFANRHFSA-N 411.477 3.412 0 40 HGAB COc1ccc(S(=O)(=O)Nc2nc(C)c(C(=O)NCc3cccs3)s2)cc1 8979036 FEHQCERGXLTJCI-UHFFFAOYSA-N 423.541 3.252 0 40 HGAB CCCCn1nc(C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)c2ccccc2c1=O 9254011 VHKNKIQNVQQNAZ-OAHLLOKOSA-N 407.470 3.459 0 40 HGAB O=C(NC1CCCC1)c1cccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)c1 9378642 BCEGXLYLMTYART-UHFFFAOYSA-N 416.499 3.321 0 40 HGAB O=C(CN1CCC[C@@H](c2nc3ccccc3s2)C1)Nc1ccc2[nH]c(=O)[nH]c2c1 9645006 AGVNETRFBYXVQT-CYBMUJFWSA-N 407.499 3.284 0 40 HGAB CNc1nc(N2CCN(c3ccccc3F)CC2)nc2c1C(=O)C[C@@H](c1ccco1)C2 9937795 OQJRFMMCZBKDCX-HNNXBMFYSA-N 421.476 3.490 0 40 HGAB CN(C[C@H]1COc2ccccc2O1)C(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 10214792 UCOCRBQMHLYPHS-MJGOQNOKSA-N 409.486 3.229 0 40 HGAB Nc1c(-c2nc(-c3ccc(F)cc3)no2)nnn1-c1ccc(Br)cc1 10273078 AXIVIEVXYVORQY-UHFFFAOYSA-N 401.199 3.468 0 40 HGAB CCOc1ccc([C@H](C)NS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1OCC 10543977 GCLGIWJTBGRUJZ-AWEZNQCLSA-N 406.504 3.482 0 40 HGAB Cc1csc(NC(=O)C[C@@H]2CSc3nc4c(cnn4-c4ccccc4)c(=O)n32)n1 11613360 AJQJUGOMTYUOTQ-CYBMUJFWSA-N 424.511 3.023 0 40 HGAB CN1CC2(CCC(C(=O)NCCC[C@@H]3CCOC3)CC2)Oc2ccccc2C1=O 12086832 GCBGWOBAEYCTBZ-GBFLJEJBSA-N 400.519 3.013 0 40 HGAB CC(C)(C)c1cc2nc3c(c(O)n2n1)CN(Cc1ccnn1[C@H]1CCCCO1)CC3 12142933 RXUBSFFMQVUTIF-HXUWFJFHSA-N 410.522 3.186 0 40 HGAB O=C(N[C@@H](Cc1ccsc1)c1nccs1)[C@@H]1CC(=O)N(Cc2ccccn2)C1 12227009 IGFZGVGJELYPSN-WBVHZDCISA-N 412.540 3.048 0 40 HGAB Cc1cccc(NC(=O)CC[C@@H]2NC(=O)N(CCc3c[nH]c4ccccc34)C2=O)c1 12893369 NWFDRNNVKSCRHJ-FQEVSTJZSA-N 404.470 3.358 0 40 HGAB biogenic O=C(CSC(=S)N1CCCC1)Nc1cc2c(cc1Br)OCCO2 13000243 SZYGNVIWMLFTLJ-UHFFFAOYSA-N 417.350 3.273 0 40 HGAB CCN(C(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)c1nnc(-c2ccc(C)cc2)s1 13563330 IUVXLUDLWXIDAI-HOTGVXAUSA-N 412.515 3.042 0 40 HGAB CN(Cc1ccc(F)cc1)CN1C(=O)N[C@](C)(c2ccc(Br)cc2)C1=O 14197172 MYCBGBOBBQGQQY-LJQANCHMSA-N 420.282 3.445 0 40 HGAB COc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)c1ccc2c(c1)OCO2 14291349 XFYNGGXOWAUUFO-UHFFFAOYSA-N 409.427 3.151 0 40 HGAB COc1ccc(N2C[C@@H](c3nc4ccccc4n3CC(=O)NC(C)C)CC2=O)cc1 16902446 YUPULSZPCXBQNE-INIZCTEOSA-N 406.486 3.090 0 40 HGAB O=C(CSCc1cccc(Cl)c1)N1CCN(S(=O)(=O)c2ccccc2)CC1 17052272 ANFZNDOVKFSOFJ-UHFFFAOYSA-N 424.975 3.106 0 40 HGAB C[C@H](Sc1nnc(-c2cccnc2)n1C1CC1)C(=O)NCc1ccc2c(c1)OCO2 17893330 BXRZDLCUSZOVCO-ZDUSSCGKSA-N 423.498 3.201 0 40 HGAB Cc1cnc(C(=O)N[C@H](Cc2c[nH]c3ccccc23)c2cc(N(C)C)nc(C)n2)cn1 19238966 NFUOIPGPVOYKJM-LJQANCHMSA-N 415.501 3.145 0 40 HGAB COc1ccc2c(c1)c(-c1nc(N(C)C)ncc1CNC(=O)c1cccnc1)cn2C 19290360 YIENBXUVVOFIKW-UHFFFAOYSA-N 416.485 3.035 0 40 HGAB CCS(=O)(=O)N1CC[C@H]2[C@@H](C1)[C@H](c1ccc(F)cc1)CN2C(=O)c1ccccc1 19520392 XKBHTSAFQZBDFL-ACRUOGEOSA-N 416.518 3.106 0 40 HGAB COCc1ccc(OC)c(CN2CCC[C@@H](Cn3nnc(-c4cccs4)n3)C2)c1 19594352 ZFIMJSNASFBZKU-QGZVFWFLSA-N 413.547 3.469 0 40 HGAB Cc1cc(C)c2cc(C(=O)N3CCc4nc(N5CCC[C@@H](C)C5)[nH]c(=O)c4C3)[nH]c2c1 19663409 JQDDMPZUYHZVGU-CQSZACIVSA-N 419.529 3.303 0 40 HGAB C[C@@H](NC(=O)c1ccc(C2CCN(C(=O)c3ccccn3)CC2)nc1)c1ccccn1 19708063 NBUDTUKTMNGJDJ-QGZVFWFLSA-N 415.497 3.382 0 40 HGAB CCOC(=O)[C@H]1C(=O)N(CCCOC)c2nc3ccccc3n2[C@H]1c1ccccc1C 19818452 HZVDMBJOQHTCBF-RTWAWAEBSA-N 421.497 3.497 0 40 HGAB CCCNS(=O)(=O)c1ccc(CCC(=O)N[C@H](C)c2ccc(OC)cc2)cc1 20024195 CANKZTCWXBQWIF-MRXNPFEDSA-N 404.532 3.194 0 40 HGAB COc1cc(CCC(=O)C[C@@H]2c3c(cc4c(c3OC)OCO4)CCN2C)ccc1O 20111802 UYUWUIMYTRYHCC-QGZVFWFLSA-N 413.470 3.259 0 40 HGAB biogenic Cc1cc(CN2CCN([C@@H](C)C(=O)NC(c3ccccc3)c3ccccc3)CC2)on1 22252645 LOVNMWQJIGJUMF-FQEVSTJZSA-N 418.541 3.395 0 40 HGAB CCn1c(C)cc(O)c([C@H](c2ccc(C)cc2)N2CCN(c3ccccn3)CC2)c1=O 22697237 OPYHHWCOGQWUAV-DEOSSOPVSA-N 418.541 3.497 0 40 HGAB CC1(C)Cc2cccc(OCc3ccc(C(=O)NCCCN4CCOCC4)cc3)c2O1 22713980 UESKKBSNJLWPTA-UHFFFAOYSA-N 424.541 3.431 0 40 HGAB CSCc1nnc(SCC(=O)N(C)Cc2ccccc2Br)o1 22887015 AYJBPDWIBTXKMO-UHFFFAOYSA-N 402.339 3.446 0 40 HGAB O=C(CCOc1ccccc1)N(CCN1CCOCC1)c1nc2ccccc2s1 22998162 DGPUREDWDOSAGM-UHFFFAOYSA-N 411.527 3.431 0 40 HGAB O=C(NC[C@H](c1cccc2ccccc12)N1CCOCC1)c1ccc2c(c1)OCO2 23106488 PHDYJJGDHWCVAD-OAQYLSRUSA-N 404.466 3.372 0 40 HGAB Cc1nc2sc([C@@H](c3ccc(Br)cc3)N3CCC(O)CC3)c(O)n2n1 23157011 GXSWVIOECWTQAR-CQSZACIVSA-N 423.336 3.113 0 40 HGAB CN(Cc1ccc2c(c1)OCO2)C(=O)c1cnc2c(cnn2Cc2ccccc2)c1 23442747 KIYOVLBXRAOZGX-UHFFFAOYSA-N 400.438 3.481 0 40 HGAB O=C(CN1c2cccc3cccc(c23)S1(=O)=O)OCC(=O)c1ccc(Cl)s1 24204484 JOHHIPGJJIFIBM-UHFFFAOYSA-N 421.883 3.490 0 40 HGAB CCOC(=O)C1CCN(C(=O)c2ccc3c(c2)C(=O)N(c2ccccc2C)C3=O)CC1 24752248 FSFNQSPIOSPGIZ-UHFFFAOYSA-N 420.465 3.211 0 40 HGAB O=C(Nc1ccccc1O)C1CCN(CCCCN2C(=O)c3ccccc3C2=O)CC1 27553821 PXQCMQMGTKVDQS-UHFFFAOYSA-N 421.497 3.119 0 40 HGAB Cc1ccc(CN2C[C@H](C(=O)OCC(=O)Nc3ccc(F)c(Cl)c3)CC2=O)cc1 28609419 ADIZZZMDLYBYOV-OAHLLOKOSA-N 418.852 3.318 0 40 HGAB Cc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)c2cccnc12 31094094 JRRJLXNQWPXFPS-OAHLLOKOSA-N 403.438 3.306 0 40 HGAB CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)Cc1nc(-c2ccccc2)oc1C 31108941 SUDJSDCZQYWMHR-UHFFFAOYSA-N 402.454 3.478 0 40 HGAB Cc1ccc(C)c(N2N=C(C(=O)O[C@H](C)C(=O)N[C@@H]3CCCC[C@H]3C)CCC2=O)c1 32670058 GSGVHHVLWDPDBS-KBAYOESNSA-N 413.518 3.413 0 40 HGAB Cn1c(SCc2nnnn2C2CC2)nc2scc(-c3ccc(F)cc3)c2c1=O 32754519 CLJHEXINABNXDA-UHFFFAOYSA-N 414.491 3.415 0 40 HGAB CC(=O)Nc1cc(NC(C)=O)cc(C(=O)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)c1 32872057 XCKDDSOIFCWNMY-MRXNPFEDSA-N 419.485 3.500 0 40 HGAB CC[C@@H](c1nnnn1C[C@H]1CCCO1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 35291355 FCIIEWZFPQAIIV-MSOLQXFVSA-N 424.471 3.144 0 40 HGAB Cc1c(Cl)ccc2c1NC(=O)[C@]21[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@H]2CCCN21 35844134 OIQLTZDNZIKXLG-YTSMVRMISA-N 421.884 3.080 0 40 HGAB CC[C@@H](C)[C@H](CO)NC(=O)COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1 36569687 LVUCAFLVXMAPCB-PBHICJAKSA-N 411.454 3.068 0 40 HGAB biogenic C[C@H](Sc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 36697010 AIRDUEZRCANJHS-AWEZNQCLSA-N 414.512 3.397 0 40 HGAB CCOC(=O)c1c(NC(=O)CN2CCN(c3ccccc3)CC2)sc(C)c1C 37078174 DHDRSZLQGCUYGI-UHFFFAOYSA-N 401.532 3.302 0 40 HGAB O=C(COc1ccc(F)cc1Br)NCc1ccc(-n2cccn2)cc1 40105153 DSTFJHOZAXQNSF-UHFFFAOYSA-N 404.239 3.469 0 40 HGAB Cc1ccc(SCCNC(=O)CN(c2ccccc2C)S(C)(=O)=O)cc1C 40162004 DQEIJLUSDSVSFX-UHFFFAOYSA-N 406.573 3.286 0 40 HGAB C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@H](O)C[C@@H]1C[C@H]3O 40164229 BHQCQFFYRZLCQQ-OJGXVJBCSA-N 408.579 3.449 0 40 HGAB endogenous,in-man Cc1cccc(CNC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(C(C)(C)C)ccc3O2)c1 44912439 QPTSFUDMFPNILH-FQEVSTJZSA-N 416.543 3.136 0 40 HGAB Cc1ccc(C(=O)NCc2ccc(CN3CCCCC3)cc2)cc1S(C)(=O)=O 44958926 MSUKPUDBMQVEPO-UHFFFAOYSA-N 400.544 3.314 0 40 HGAB CC[C@]1(c2ccc(F)cc2)NC(=O)N(CN(C)CCOc2ccccc2F)C1=O 49574873 ATPXCAVSPQWMSU-OAQYLSRUSA-N 403.429 3.090 0 40 HGAB Cc1cccc(C)c1NC(=O)CSc1nc2[nH]ncc2c(=O)n1-c1ccccc1 51316680 KRVHYEXRBDVPHN-UHFFFAOYSA-N 405.483 3.456 0 40 HGAB Cc1ccc(CNC(=O)Cn2cnc3c(cnn3-c3ccc(C(C)C)cc3)c2=O)cc1 57486531 CFUICXJJQZHAKX-UHFFFAOYSA-N 415.497 3.330 0 40 HGAB O=C(Nc1cccc(N2CCOC2=O)c1)N[C@@H](Cc1ccccc1)[C@@H](O)C(F)F 58345559 SJFVZAPIUOGPKU-DLBZAZTESA-N 405.401 3.002 0 40 HGAB CC[C@H](C)NC(=O)Cn1c(=O)n(CCc2ccccc2)c(=O)c2oc3ccccc3c21 71326918 CXVFFHAKNZPAEY-INIZCTEOSA-N 419.481 3.067 0 40 HGAB C[C@@H](Oc1ccccc1F)C(=O)Nc1nnc([S@@](=O)Cc2ccccc2)s1 72238655 LKBOWFJTDPDXJO-KHXSAUHESA-N 405.476 3.391 0 40 HGAB COc1ccc(C2=NN(C(=O)CCC(=O)O)[C@@H](c3cccc4nccnc34)C2)cc1 72314720 JQRUIPJZFFHTIS-LJQANCHMSA-N 404.426 3.181 0 40 HGAB CC(C)CNC(=O)c1cc([C@H]2CN(C(=O)c3cccnc3)CCO2)nc2ccccc12 72355002 YNSWYTAUXFIFES-JOCHJYFZSA-N 418.497 3.229 0 40 HGAB Nc1ncc(-c2cccc(Cl)c2)c([C@H]2CCCCN2S(=O)(=O)N2CCCC2)n1 72376978 YOZSCVPURBRKLK-QGZVFWFLSA-N 421.954 3.247 0 40 HGAB Nc1c([N+](=O)[O-])cc(F)c(NCc2ccc(-n3ccnc3)nc2)c1Br 78903698 WJDRABRPMFDSQO-UHFFFAOYSA-N 407.203 3.271 0 40 HGAB CCn1c(SCC(=O)Nc2cc(Cl)ccc2-n2cncn2)nc2cnccc21 89305543 DAYGOBNKWCMUHS-UHFFFAOYSA-N 413.894 3.416 0 40 HGAB COc1ccc(Br)c(C(=O)N2CC(c3nc(-c4ccco4)no3)C2)c1 96024258 FEAMLLRGCBBHQP-UHFFFAOYSA-N 404.220 3.340 0 40 HGAB CO[C@@](C)(CNC(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1)c1ccccc1F 96123642 XKMHAMLGNBRVRJ-SFHVURJKSA-N 414.355 3.341 0 40 HGAB COc1ccc(-c2nc(N3CCN(CCO)CC3)c3c4c(sc3n2)CCCC4)cc1 96194356 KRDKIAHZHMVLTD-UHFFFAOYSA-N 424.570 3.360 0 40 HGAB CC(C)[C@H](NC(=O)COc1cccc(N2CCCC2=O)c1)c1ccc2c(c1)OCCO2 96402247 XZRIMYPDHMFTNG-DEOSSOPVSA-N 424.497 3.477 0 40 HGAB COc1cccc(CNC(=O)[C@@H]2C[C@@H]3CC[C@@H]2C[C@@]32NC(=O)c3ccccc3N2)c1 100117730 JXXRWKOEMMKPSW-JJLPPOTMSA-N 405.498 3.299 0 40 HGAB Cc1cc(O[C@H](C)C(=O)NC[C@H]2CC[C@H](C(=O)O)CC2)c2c(C)c(C)c(=O)oc2c1 100763714 QPVOVGVGTKDJHA-ZACQAIPSSA-N 415.486 3.493 0 40 HGAB COc1ccc(S(=O)(=O)NCc2ccccc2F)cc1C(=O)N1CCCCCC1 113939442 GICJVGOAANLELF-UHFFFAOYSA-N 420.506 3.329 0 40 HGAB CCOC(=O)[C@@]1(CN)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(CC)cc1 218639400 DJLLEEVARYHFGM-IRFCIJBXSA-N 421.946 3.350 0 40 HGAB CCc1ccc(N([C@@H](C)C(=O)NCCCc2ccc(C)cc2)S(C)(=O)=O)cc1 220284184 YPWIEWGAKZQHKH-SFHVURJKSA-N 402.560 3.461 0 40 HGAB CCOc1ccc(N([C@@H](CC)C(=O)NCc2ccccc2C)S(C)(=O)=O)cc1 220667309 HUBFUOMQVSUTLZ-FQEVSTJZSA-N 404.532 3.255 0 40 HGAB CCOC(=O)c1ccc(NC(=O)c2ccc(N(C)S(C)(=O)=O)c(C)c2)c(C)c1 222480853 GUGHQFJYYUPJKU-UHFFFAOYSA-N 404.488 3.128 0 40 HGAB COc1ccc(N(CCCC(=O)N[C@@H](C)CCc2ccccc2)S(C)(=O)=O)cc1 222604240 QCGHLDKROFKFNI-SFHVURJKSA-N 418.559 3.379 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)NCCOc1ccccc1Cl 224097912 CPHVWOBQGZJJIX-UHFFFAOYSA-N 422.934 3.242 0 40 HGAB CCCc1ccc(OCCNC(=O)[C@@H](CC)N(c2ccccc2)S(C)(=O)=O)cc1 224299659 WDVLFBIBWNRAGJ-OAQYLSRUSA-N 418.559 3.379 0 40 HGAB Cc1cccc(N(CC(=O)Nc2nnc(SC(C)C)s2)S(C)(=O)=O)c1C 224459314 FYWCIVWXZUKYMS-UHFFFAOYSA-N 414.578 3.060 0 40 HGAB Cc1ccc(N(CCCC(=O)NCCc2ccc(F)cc2)S(C)(=O)=O)c(C)c1 224646702 AFAINEJANNDPLO-UHFFFAOYSA-N 406.523 3.348 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)NCc1ccc(C)cc1 224702400 BBZRKCGAIVIXGX-UHFFFAOYSA-N 416.543 3.037 0 40 HGAB CCC1(CC)C[C@@H](NC(=O)[C@@H]2CCCN(S(=O)(=O)CC)C2)c2ccccc2O1 225307087 YJCYQAFIZKYWKF-SJLPKXTDSA-N 408.564 3.247 0 40 HGAB COc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1C 225739949 JMUWXKISHGPGRN-UHFFFAOYSA-N 402.516 3.359 0 40 HGAB Cc1nc(-n2cccc2)sc1C(=O)NC1CCN(c2cc3c(nn2)CCCC3)CC1 225792665 GOWHIANCHNFJEJ-UHFFFAOYSA-N 422.558 3.310 0 40 HGAB CCCSc1nnc(NC(=O)[C@H](C)N(c2ccc(C)cc2)S(C)(=O)=O)s1 225842359 QDXCOFBJXFFRRE-LBPRGKRZSA-N 414.578 3.142 0 40 HGAB COCCCNC(=S)Nc1nc(N2CCCCCC2)cc(N2CCCCC2)n1 225900675 OJJBDVLPSKEUNJ-UHFFFAOYSA-N 406.600 3.170 0 40 HGAB Cc1nc([C@H]2CCN(Cc3ccncc3)C2)nc(C)c1CC(=O)NC1CCCCC1 257253820 KAJWJHOFPWDWHA-FQEVSTJZSA-N 407.562 3.469 0 40 HGAB Cc1cccc(C)c1OCC(=O)N1CCC[C@H]1c1cncc(Nc2ncccn2)n1 257260963 LFFCXPCFFOTTPE-SFHVURJKSA-N 404.474 3.370 0 40 HGAB Cc1cncc(C(=O)N2CCC(COc3ccc(Cl)cc3)(CC(N)=O)CC2)c1 257286948 PNTHXAKXIWAKAY-UHFFFAOYSA-N 401.894 3.220 0 40 HGAB CC(=O)N1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)N2C(=O)c1cccc(O)n1 257317069 VIFSAXBMWSBEPR-YLYPHGCXSA-N 419.525 3.403 0 40 HGAB NC(=O)C[C@]1(COc2ccccc2)CCCN(C(=O)COc2ccc(Cl)cc2)C1 257320216 VVUXAIJVGIIQHS-JOCHJYFZSA-N 416.905 3.282 0 40 HGAB Cc1cc2n(n1)[C@@H](C(F)F)C[C@@H]([C@H]1CCCN(C(=O)CN3CCC[C@@H](C)C3)C1)N2 257344832 ZYUZIBUCVIUSIC-LAVFITLUSA-N 409.525 3.152 0 40 HGAB CCOc1ccc(N(CC(=O)N[C@H](C)c2ccc(CC)cc2)S(C)(=O)=O)cc1 260845537 STMHKWQFRXLKNU-MRXNPFEDSA-N 404.532 3.291 0 40 HGAB O=C(CN1C(=O)N/C(=C/c2cccc(Br)c2)C1=O)Nc1ccccc1F 409216511 ISECDWPMIFHJTF-OQLLNIDSSA-N 418.222 3.120 0 40 HGAB CCOc1cc(/C=C2/SC(=O)N(CC(=O)O[C@H](C)CC)C2=O)ccc1OC(C)=O 409219802 UYGUSAZBLHPDFL-YXHQGMJNSA-N 421.471 3.389 0 40 HGAB CN1CC[C@H](COCc2cccnc2)CC12CN(C(=O)c1ccc3c(ccn3C)c1)C2 575404295 ROSILEHFFPKKDM-IBGZPJMESA-N 418.541 3.327 0 40 HGAB COc1ccc(C2(C(=O)NC[C@@H]3OCCc4cn(Cc5ccccc5)nc43)CC2)cc1 585111558 WEPWJLPNSFASLT-QFIPXVFZSA-N 417.509 3.402 0 40 HGAB COc1ccc(CN2CC3(CCN(C(=O)c4cc(F)ncc4F)CC3)CC2=O)cc1 1565555372 YXRLSWHAOGMZFS-UHFFFAOYSA-N 415.440 3.023 0 40 HGAB Cc1cc(C)cc(O[C@@H](C)C(=O)N2CCC(Cn3nc4c(cc3=O)CCCC4)CC2)c1 1775965797 IHDMNCXLZRIZIY-IBGZPJMESA-N 423.557 3.445 0 40 HGAB Cc1cn2nc(OCC3CCN(C(=O)c4cn(C)c5ccccc45)CC3)ccc2n1 1888922128 UBWRDKMTFPTFND-UHFFFAOYSA-N 403.486 3.461 0 40 HGAB COCCC(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccc(OC)c(O)c4)OCC[C@@]31C2 2037849867 YDLKILGZWAVVBX-UALQTUHCSA-N 403.519 3.436 0 40 HGAB O=C1COC[C@@]2(CCN(C3CCN(c4ccccc4)CC3)C2)CN1c1ccccc1 2037985649 QZZVKWWKTSNQSR-RUZDIDTESA-N 405.542 3.411 0 40 HGAB CN(CC1CCN(c2ncc(Br)cn2)CC1)c1ncnc(C2CC2)c1F 2086978706 IFRABBWTIDHSOF-UHFFFAOYSA-N 421.318 3.398 0 40 HGAB COc1ccc([C@@H](CNC(=O)c2cccc(N3CCCC3=O)c2)N2CCCC2)cc1 8327857 GFOXYDJVTYHOEZ-JOCHJYFZSA-N 407.514 3.389 0 40 HGAB Cn1c(C(=O)NCCNC(=O)c2cccc(Br)c2)cc2ccccc21 20721267 IGXRKSTUPSHGJG-UHFFFAOYSA-N 400.276 3.101 0 40 HGAB CC(C)c1nnc2ccc(N3CCC(C(=O)NCCCc4ccccc4)CC3)nn12 20734404 DAEABTGIFDRKND-UHFFFAOYSA-N 406.534 3.213 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCc3cccc(C)c3)C2)cc1 1361876 KDIRMGGLVSRXCQ-HXUWFJFHSA-N 400.544 3.063 0 40 HGAB O=C(c1cnn2c(C(F)F)cc(-c3ccc(F)cc3)nc12)N1CCN2CCC[C@H]2C1 2776930 RLXRTJOGRSMXIS-HNNXBMFYSA-N 415.419 3.393 0 40 HGAB COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)N1CCC(C)CC1 3311982 DJDDYTVSCCNNSB-UHFFFAOYSA-N 414.527 3.319 0 40 HGAB CN(C)C(=O)[C@@H]1CN(C(=O)CCc2ncc(-c3ccccc3F)o2)c2ccccc2O1 21478038 WGFOIPSPHROHHA-FQEVSTJZSA-N 423.444 3.296 0 40 HGAB COc1ccc(S(=O)(=O)NCCOc2ccc(C(C)(C)C)cc2)cc1NC(C)=O 7688807 AJVXPVXKUDWSME-UHFFFAOYSA-N 420.531 3.308 0 40 HGAB CS(=O)(=O)N1CCC(C(=O)NC[C@H]2CC3c4ccccc4C2c2ccccc23)CC1 32885632 BLTAXIUKFRPBDL-UIFUMHDPSA-N 424.566 3.072 0 40 HGAB CN(CCOc1ccc(Cl)cc1)c1ccc(S(=O)(=O)Nc2ccccn2)cn1 32869496 QPYHMWFSJKEHBC-UHFFFAOYSA-N 418.906 3.446 0 40 HGAB CC(C)OCCCNC(=O)c1ccc(N(Cc2ccccc2F)S(C)(=O)=O)cc1 10337796 QAFMAXDMPOHFGU-UHFFFAOYSA-N 422.522 3.337 0 40 HGAB Cc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4CCCC[C@H]4C3=O)c2)cc1 8410705 MRFCBHPEQGONOO-WOJBJXKFSA-N 420.465 3.470 0 40 HGAB COc1cccc(N(CC(=O)N2CCC[C@H](C)C2)S(=O)(=O)c2ccccc2)c1 10541141 OQUXLLOOZWRMOH-KRWDZBQOSA-N 402.516 3.149 0 40 HGAB CCN(CC)CCOc1ccc(CNS(=O)(=O)c2cccc(C(C)=O)c2)cc1 32925420 JRXUQARCAPGDHD-UHFFFAOYSA-N 404.532 3.088 0 40 HGAB C[C@@H]1C[C@@H](C)CN(Cc2csc(NC(=O)c3cccc(CS(C)(=O)=O)c3)n2)C1 22295076 IFFXFOMOZVGDEG-HUUCEWRRSA-N 421.588 3.418 0 40 HGAB COc1cccc(NC(=O)C2=C(C)NC(=S)N[C@@H]2c2ccc(OC)c(OC)c2)c1 641409 JWDVZOUICWSLMF-LJQANCHMSA-N 413.499 3.144 0 40 HGAB Cc1cccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)c1 22621100 YNINGDBABFLBLJ-UHFFFAOYSA-N 422.466 3.218 0 40 HGAB CC(=O)N1c2ccc(C(=O)CN3CCC(O)(c4ccc(F)cc4)CC3)cc2C[C@H]1C 57811754 GXXBCURFGLUPKW-MRXNPFEDSA-N 410.489 3.290 0 40 HGAB NC(=O)c1c(NC(=O)c2ccc(NC(=O)C(F)(F)F)cc2)sc2c1CCCC2 1057933 VOTJCQVEUKZWIX-UHFFFAOYSA-N 411.405 3.479 0 40 HGAB CCOc1cc2c(cc1CNC(=O)[C@@H](NC(=O)c1ccccc1)C(C)C)O[C@H](C)C2 24317462 HAZVGTOUJUVFJE-ZHRRBRCNSA-N 410.514 3.480 0 40 HGAB COC(=O)c1cccc2c1CCCN2C(=O)CCCn1cnc2c(C)cccc2c1=O 25193902 NRBMPWITOPOPRD-UHFFFAOYSA-N 419.481 3.251 0 40 HGAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)CN2CCN(c3ccccc3)CC2)c1 57830268 NQHQAOKDBHOILT-QFIPXVFZSA-N 409.530 3.190 0 40 HGAB COC(=O)[C@@H](N[C@H]1C(C)=C(C)C(=O)N1Cc1ccc(OC)cc1)c1cccc(OC)c1 23485324 LQSRVDBUUOFYMZ-FCHUYYIVSA-N 424.497 3.212 0 40 HGAB CN1CCCN(c2ccc(CNC(=O)c3csc(Cc4ccccc4)n3)cn2)CC1 58101213 WVMASOCVFXUYHL-UHFFFAOYSA-N 421.570 3.201 0 40 HGAB C[C@@H]1CC[C@H]2C(=O)N(c3cccc(C(=O)OCC(=O)Nc4ccccc4)c3)C(=O)[C@H]2C1 408653634 ABCYZMGULGDHDE-YSGRDPCXSA-N 420.465 3.408 0 40 HGAB COc1cc(C(=O)N(C)CC(=O)NC2CC2)ccc1OCc1ccc(Cl)cc1 12795726 PCZOROKZQQFIJV-UHFFFAOYSA-N 402.878 3.278 0 40 HGAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)Oc1ccc(F)cc1Cl 12777458 HCHSHTMTLQWLML-LBPRGKRZSA-N 414.886 3.444 0 40 HGAB COc1ccc(/C=C/C(=O)NCc2cccs2)cc1S(=O)(=O)N1CCCCC1 3557849 SFXFZGLLVIBEQU-CSKARUKUSA-N 420.556 3.261 0 40 HGAB CCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2 13011514 VLUXFOLQNTUKDV-LLVKDONJSA-N 419.453 3.498 0 40 HGAB COc1ccc(CCNC(=O)CCc2c(C)c3ccc(O)cc3oc2=O)cc1OC 4084509 LBBJYGWZKHOVSB-UHFFFAOYSA-N 411.454 3.116 0 40 HGAB biogenic Cc1c(O[C@H](C)C(=O)NCCCCCC(=O)O)ccc2c3c(c(=O)oc12)CCC3 4062901 FADTZOHJFQXWSL-CQSZACIVSA-N 401.459 3.119 0 40 HGAB biogenic CCCCn1nc(NC(=O)c2cnn3c(-c4cnn(CC)c4C)ccnc23)cc1C 13644768 QJSIBGUTVVWSBH-UHFFFAOYSA-N 406.494 3.478 0 40 HGAB Cc1cc(NS(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3ccccc3C)cc2)no1 4411692 GLLILZZCQHFKGN-OAHLLOKOSA-N 415.471 3.498 0 40 HGAB CCOC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)c2cccc(OC)c2)cc1 4544764 QTZUXQNIPCFFRE-UHFFFAOYSA-N 413.426 3.017 0 40 HGAB C[C@H](Sc1ccc2c(c1)OCCO2)C(=O)Nc1sc2c(c1C(N)=O)CCC2 14242966 SJGLSZDIDYWRLI-JTQLQIEISA-N 404.513 3.226 0 40 HGAB CCCCCn1c(=O)c2c(nc3n2CCCN3c2ccc(Cl)cc2)n(C)c1=O 5460104 NATCSIQYSZPHAB-UHFFFAOYSA-N 401.898 3.282 0 40 HGAB CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1ccc2[nH]cnc2c1 6567132 FLPZXFDDRGEPDA-UHFFFAOYSA-N 410.474 3.449 0 40 HGAB CCCCc1ccc(NC(=O)CN2C(=O)N[C@](C)(c3ccc4c(c3)OCO4)C2=O)cc1 4787974 GDGCDZSVBSRCGD-HSZRJFAPSA-N 423.469 3.164 0 40 HGAB Cc1ccc(CN(C(=O)COc2ccc(Cl)c(C)c2)[C@H]2CCS(=O)(=O)C2)o1 6810343 YIBJFNCAYYJZFB-HNNXBMFYSA-N 411.907 3.145 0 40 HGAB COc1cccc(CN(C)C[C@H](O)COc2ccc(CCC(C)=O)cc2)c1OC 6998547 HNAZGWJIKGDGMF-FQEVSTJZSA-N 401.503 3.097 0 40 HGAB COc1cccc(Cn2c(C)c3c(=O)n(-c4nc5ccccc5s4)[nH]c3cc2=O)c1 15108095 HSVFGBBGIXQLNI-UHFFFAOYSA-N 418.478 3.456 0 40 HGAB CCc1ccc(NC(=O)c2ccc(N3C(=O)[C@@H](C)CS3(=O)=O)cc2Cl)cc1 15858403 AEVACYIWTMCJSI-LBPRGKRZSA-N 406.891 3.467 0 40 HGAB Cc1ccccc1N1CCn2c1nc1c2c(=O)n(Cc2ccc(Cl)cc2)c(=O)n1C 9124378 IQNHBTZIRDSTRN-UHFFFAOYSA-N 421.888 3.059 0 40 HGAB COc1c(F)c(F)cc2c(=O)c(C(=O)NC[C@H](O)c3ccccc3)cn(C3CC3)c12 9486125 JSGXSQWIFVLVLS-KRWDZBQOSA-N 414.408 3.087 0 40 HGAB CCS(=O)(=O)c1ccc(Cl)cc1NC(=O)CCc1nc(-c2cccnc2)no1 95435034 UENROOJIKAPGEX-UHFFFAOYSA-N 420.878 3.150 0 40 HGAB CCOC(=O)CN(C)CC(=O)Nc1cc(-c2ccc(C)cc2)nn1-c1ccccc1 60329952 NIOXSQNKTKNXPX-UHFFFAOYSA-N 406.486 3.281 0 40 HGAB CS(=O)(=O)N1C[C@@H](C(=O)Nc2ccc(F)c(Cl)c2)Oc2ccc(Cl)cc21 20489675 LGKOGWGSGDWJGH-HNNXBMFYSA-N 419.261 3.298 0 40 HGAB Cc1ccc2c(COC(=O)CCc3nc4ccccc4c(=O)n3C)cc(=O)oc2c1 23228316 OWNNFDCFCVSSQV-UHFFFAOYSA-N 404.422 3.024 0 40 HGAB Cc1ccc([C@H](C)NC(=O)Cn2c(-c3ccc(F)cc3)nc(C)c(CCO)c2=O)cc1 67301142 AWNDDMGWHIOJQL-INIZCTEOSA-N 423.488 3.078 0 40 HGAB CCOc1ccccc1NC(=O)COC(=O)[C@H]1CC(=O)N(c2cc(C)ccc2C)C1 408657329 PBSLRDUWZFCNAR-KRWDZBQOSA-N 410.470 3.237 0 40 HGAB Cc1ccc(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@@]4(C(=O)Nc5c(C)cc(C)cc54)[C@H]3C2=O)cc1 504485254 YPCMCWLQNKCUTE-TXNPELCJSA-N 415.493 3.043 0 40 HGAB biogenic O=C(Cn1nc(N2CCC(Cc3ccccc3)CC2)ccc1=O)Nc1ccc(F)cc1 71285165 ILWGQGRBQNMTTF-UHFFFAOYSA-N 420.488 3.480 0 40 HGAB O=C(O)c1ccc(NCCC2=CCCCC2)c(S(=O)(=O)NC[C@H]2CCCO2)c1 217498289 FKZYFADFFNMDIG-QGZVFWFLSA-N 408.520 3.145 0 40 HGAB Cc1cc(NC(=O)[C@H](C)c2ccc(CC(C)C)cc2)n([C@@H]2CCS(=O)(=O)C2)n1 79494416 CHDOCTACCZVHAP-VQIMIIECSA-N 403.548 3.492 0 40 HGAB COc1ccc2[nH]c3c(c2c1)CCN([C@H]1CC(=O)N(c2ccc(F)c(F)c2)C1=O)C3 38830239 BTXDBDHNXCWRHG-FQEVSTJZSA-N 411.408 3.145 0 40 HGAB CCc1nnc(NC(=O)Cc2c(C)nn(-c3ccc(C(F)(F)F)cn3)c2C)s1 48235932 JEBWTWDYGHQKQF-UHFFFAOYSA-N 410.425 3.498 0 40 HGAB CCCCOC(=O)C1=C(C)Nc2nnnn2[C@H]1c1cc(Br)ccc1OC 40979697 QSPCOFAPUUSMMK-HNNXBMFYSA-N 422.283 3.076 0 40 HGAB NC(=O)NCc1ccc(NC(=O)C2CCC(NC(=O)CC3CCCCC3)CC2)cc1 523431282 ZEEBAKIFBJHNHP-UHFFFAOYSA-N 414.550 3.439 0 40 HGAB O=C(NCCc1ccccc1)[C@H]1CN(C(=O)Cc2ccccc2)c2ccccc2O1 222938033 GGWUFGNZQUJIPI-HSZRJFAPSA-N 400.478 3.382 0 40 HGAB COc1ccc(N([C@H](C)C(=O)Nc2ccccc2SC)S(C)(=O)=O)cc1OC 220235964 CHHRRRYHQDNRNJ-CYBMUJFWSA-N 424.544 3.219 0 40 HGAB COc1ccc(CCNC(=O)Cn2ccc(=O)c3cc(Br)ccc32)cc1 225726782 XWCOUNFTHFGESM-UHFFFAOYSA-N 415.287 3.132 0 40 HGAB CC[C@@H](C(=O)Nc1cc(C)ccc1OC)N(c1cccc(OC)c1)S(C)(=O)=O 220616835 TZNAMOQSYDBQBT-SFHVURJKSA-N 406.504 3.196 0 40 HGAB Cn1c(=O)sc2cc(NS(=O)(=O)Cc3ccc(Br)cc3)ccc21 225044821 OQKJIXTWQJUPEX-UHFFFAOYSA-N 413.318 3.304 0 40 HGAB CCOc1ccccc1CCCNC(=O)c1ccc(N(C)S(C)(=O)=O)cc1Cl 222519890 IOGFYWADGVGRGR-UHFFFAOYSA-N 424.950 3.497 0 40 HGAB CC[C@@H](C(=O)NCCSC(C)(C)C)N(c1cc(C)cc(C)c1)S(C)(=O)=O 220567958 XSPZZKNEZZVPLL-KRWDZBQOSA-N 400.610 3.496 0 40 HGAB COc1cccc(N([C@H](C)C(=O)Nc2ccc(OC(C)C)cc2)S(C)(=O)=O)c1 220173429 PCOZLAUNLMMFRN-OAHLLOKOSA-N 406.504 3.276 0 40 HGAB Cn1cccc1C(=O)N1Cc2ccccc2C2(CCN(c3ncc(F)cn3)CC2)C1 96242628 ZANBODWHUHSGIO-UHFFFAOYSA-N 405.477 3.148 0 40 HGAB Cn1cnc2c(N3CCOCC3)nc(C3CCN(Cc4ccccc4F)CC3)cc21 96155596 USWZKIGFPXWFJD-UHFFFAOYSA-N 409.509 3.324 0 40 HGAB O=C1CCCN1CCOc1cccc(C(=O)N2CCC[C@@H]2CCc2ccncc2)c1 257284946 PEYWAXDLFFJURJ-OAQYLSRUSA-N 407.514 3.320 0 40 HGAB Cc1cc(C)n(-c2nc(CCNC(=O)c3cncc(Br)c3)cs2)n1 90609306 MFBVZLFOFAFINQ-UHFFFAOYSA-N 406.309 3.076 0 40 HGAB Cc1nc(=NC(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)s3)cc2)s[nH]1 608192608 FJXKVBWXHKIIHA-UHFFFAOYSA-N 414.921 3.036 0 40 HGAB Cc1ccc([C@@H](C)C(=O)N2CCC3(CC2)C[C@]2(CO3)NC(=O)c3ccccc3N2)cc1 72325254 XCRSDXIHWQAWLH-IQGLISFBSA-N 419.525 3.432 0 40 HGAB CCNC(=O)CCC/C=C\C[C@H]1[C@H](/C=C/[C@H](O)CCc2ccccc2)[C@H](O)C[C@H]1O 1529018623 AQOKCDNYWBIDND-OKHJQBFPSA-N 415.574 3.147 0 40 HGAB Cc1cc2n(n1)C1(CCN(Cc3ccc(C)o3)CC1)CC(=O)N2Cc1ccncc1 1772596532 PWNRZBXHGWYTOX-UHFFFAOYSA-N 405.502 3.416 0 40 HGAB COCC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1 5962725 FFHXPODNSDTLFG-OALUTQOASA-N 406.523 3.074 0 40 HGAB COC(=O)C1=C(C)N(c2ccc3c(c2)OCCO3)C(=S)N[C@H]1c1cccc(F)c1 12552165 HTRDYTVCIZLWEO-IBGZPJMESA-N 414.458 3.480 0 40 HGAB Cc1nn(CCCNS(=O)(=O)c2cccc3cccnc23)c(C)c1Br 14247464 ZOOHECJVEHBNDI-UHFFFAOYSA-N 423.336 3.179 0 40 HGAB COc1ccc(C(=O)N(C)Cc2ccccc2)cc1S(=O)(=O)N1CCCCC1 14291832 NEWWWQPVYWHGJL-UHFFFAOYSA-N 402.516 3.142 0 40 HGAB COc1ccc(-c2noc([C@@H]3Cc4[nH]cnc4CN3C(=O)c3cccs3)n2)cc1 15675970 RAMWFUZMOZBXBS-INIZCTEOSA-N 407.455 3.470 0 40 HGAB biogenic,in-vitro COc1ccc([C@@H](CNC(=O)c2cc(-c3cccs3)on2)N2CCOCC2)cc1 15859669 JJSKHXNJKIEJFW-GOSISDBHSA-N 413.499 3.215 0 40 HGAB Cc1ccc(CN(CCCN2CCOCC2)Cc2ccnn2[C@H]2CCCCO2)o1 19216446 GIVGMLIVYGZOOQ-JOCHJYFZSA-N 402.539 3.208 0 40 HGAB Cn1nccc1C(=O)N1C[C@H](c2ccc(CN3CCOCC3)cc2)[C@H]2CCCC[C@H]21 19289164 JXWLVCHSHQRFQM-YPAWHYETSA-N 408.546 3.051 0 40 HGAB Cc1sc(NC(=O)[C@H]2CC(=O)N(C(C)C)C2)nc1-c1ccc2c(c1)OCCO2 19656274 XGNYWKZHSUHWJS-AWEZNQCLSA-N 401.488 3.085 0 40 HGAB Nc1ncc(-c2ccc([C@@H]3CN(C(=O)CCc4cccc(Cl)c4)CCO3)nc2)cn1 19693650 WAGMMQJCBPIATD-FQEVSTJZSA-N 423.904 3.307 0 40 HGAB CN(C)Cc1cnc2ccnn2c1CC1CCN(C(=O)CCc2ccccc2)CC1 19704734 GLBJHFTUXCJREO-UHFFFAOYSA-N 405.546 3.205 0 40 HGAB COCCn1c(SCC(=O)Nc2cccc(C)c2C)nc2c(c1=O)S[C@@H](C)C2 4108018 WFWKAOTUANSSFU-ZDUSSCGKSA-N 419.572 3.274 0 40 HGAB CC1(C)Cc2nc(-c3ccncc3)ncc2[C@@H](NC(=O)c2ccc(C(N)=O)cc2F)C1 12238697 SWHZMPJATRKFDI-IBGZPJMESA-N 419.460 3.220 0 40 HGAB Cn1nccc1-c1ccc(CCNS(=O)(=O)c2ccccc2Br)cc1 1889280234 ZJVABPKMEVUSGO-UHFFFAOYSA-N 420.332 3.371 0 40 HGAB COc1ccc2c(=O)n(CC3CCN(Cc4nc5c(s4)CCC5)CC3)cnc2c1 1849478868 CQSPAAAAUVVPRW-UHFFFAOYSA-N 410.543 3.263 0 40 HGAB CCOc1ccc(CNc2nc3ccccc3n2CCN2CCOCC2)cc1OC 4625988 DHYOVRDYIXIEHL-UHFFFAOYSA-N 410.518 3.388 0 40 HGAB Cc1ccc(-n2nc3c(c2NC(=O)C(=O)NCc2ccc(F)cc2)CSC3)cc1 5418973 FQMPQADWQRMUCL-UHFFFAOYSA-N 410.474 3.322 0 40 HGAB CSc1cccc(NC(=O)CN2CCC3(CC2)N=C(c2ccc(C)cc2)C(=O)N3)c1 9526741 OUAJCYCSZINYKQ-UHFFFAOYSA-N 422.554 3.067 0 40 HGAB CCN1C(=O)c2cccc3c(NC(=O)Cc4ccc(S(C)(=O)=O)cc4)ccc1c23 9596919 LIPLKYMTCIKAOJ-UHFFFAOYSA-N 408.479 3.405 0 40 HGAB Cn1c(=O)n(Cc2ccccc2F)c(=O)c2c1nc1oc(-c3ccc(Cl)cc3)cn12 9789768 VJRWETIJYYRUSN-UHFFFAOYSA-N 424.819 3.449 0 40 HGAB O=C(CSc1ncnc2c1nnn2-c1ccc(F)cc1)Nc1ccc(F)cc1F 11758605 XZTLLKJZKWIKID-UHFFFAOYSA-N 416.388 3.359 0 40 HGAB CS(=O)(=O)N1CCC(C(=O)N2CCS[C@@H](c3ccccc3Cl)CC2)CC1 206993283 AUMDCDSCYFOEEI-QGZVFWFLSA-N 416.996 3.018 0 40 HGAB CCCCc1ccc(NC(=O)CSc2nc(=O)[nH]c(C)c2C(=O)OCC)cc1 5251675 VDSBOYVLMDDVAQ-UHFFFAOYSA-N 403.504 3.328 0 40 HGAB O=C(CSc1ccc(F)cc1)NC1CCN(c2cc3c(nn2)CCCC3)CC1 225793093 VABUOHZFNHLPDO-UHFFFAOYSA-N 400.523 3.372 0 40 HGAB O=C(CCc1nc(-c2ccncc2)no1)N1CCN(Cc2ccc(Cl)cc2)CC1 40033622 XKSNYKYEZQSFJG-UHFFFAOYSA-N 411.893 3.062 0 40 HGAB Cc1ccc(NC(=O)N(C)C[C@H]2CCCO2)cc1NC(=O)N(C)C[C@@H]1CCCO1 40158474 GZOQIBZNEDREDH-MSOLQXFVSA-N 404.511 3.280 0 40 HGAB Cc1cccc(N2CCN(CC[C@@H](C)NC(=O)C3C[C@@H]4CCC[C@H](C3)C4=O)CC2)c1 32019733 LQWJWRGOQODKCV-IZCSPVGOSA-N 411.590 3.407 0 40 HGAB Cc1cccc(C)c1NC(=O)CN1N=N[C@@H]2C(=O)N(c3ccc(C(C)C)cc3)C(=O)[C@@H]21 101170567 PRWPHYKMELVVDO-LEWJYISDSA-N 419.485 3.359 0 40 HGAB COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)Nc2cccc(C)c2C)cc1 639931 AVTWRDZZYYACAF-NRFANRHFSA-N 423.469 3.122 0 40 HGAB O=C(CSc1nc2ccccc2c(=O)n1Cc1ccco1)NCc1ccccc1 887477 XNYWKCJHPOQBCJ-UHFFFAOYSA-N 405.479 3.446 0 40 HGAB Cc1cccc2cc([C@H](c3nnnn3Cc3ccccc3)N3CCCCC3)c(=O)[nH]c12 889370 IBFVCJBDDCWTPU-JOCHJYFZSA-N 414.513 3.447 0 40 HGAB COc1ccccc1NC(=S)N(CCO)Cc1cc2c(C)cc(C)cc2[nH]c1=O 907853 KWOPENLSTVZJET-UHFFFAOYSA-N 411.527 3.345 0 40 HGAB CC(C)(C)OC(=O)N1CCN(C(=O)Cn2c(C(F)(F)F)nc3ccccc32)CC1 1394808 JIHKYBFEMXQPPX-UHFFFAOYSA-N 412.412 3.134 0 40 HGAB CCOC(=O)[C@](NC(=O)CC)(Nc1ccc(OC(F)(F)F)cc1)C(F)(F)F 2050567 TWQQOZHBRUTMPZ-CYBMUJFWSA-N 402.291 3.345 0 40 HGAB CC(C)(NC(=O)c1ccccc1)C(=O)OCC(=O)c1ccc(Br)cc1 3084512 HUTCJRDAIYDLFU-UHFFFAOYSA-N 404.260 3.384 0 40 HGAB Cc1ccc(C(=O)NCCc2ccc(F)cc2)cc1S(=O)(=O)N1CCCCC1 3217010 JMINZZRXIGSWFS-UHFFFAOYSA-N 404.507 3.281 0 40 HGAB Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)OCC(=O)NCC(C)C)cc3C2=O)c1 3294854 RMWDAAZXORHMJB-UHFFFAOYSA-N 408.454 3.033 0 40 HGAB COc1ccc([C@H]2c3c([nH]c(=O)[nH]c3=O)Nc3ccc4ccccc4c32)c(OC)c1 4459144 RZXXSTGBGXHIRN-LJQANCHMSA-N 401.422 3.471 0 40 HGAB C[C@H]1C(=O)N(c2ccc(Br)cc2)C(=O)[C@H]2C(=O)Oc3ccccc3[C@@H]21 4653495 MWCBFVAZHWOBHI-VFVAKGGASA-N 400.228 3.277 0 40 HGAB CCn1c(CC(=O)Nc2ccccc2Cl)nnc1SCC(=O)NC1CCCC1 4736004 QCBJKFKAGOECRJ-UHFFFAOYSA-N 421.954 3.284 0 40 HGAB CCN(CC)C(=O)CSc1nc2ccccc2n1CC(=O)NC1CCCCC1 4859118 ROKIOYDUVFMEMJ-UHFFFAOYSA-N 402.564 3.446 0 40 HGAB CC[C@@H](C)[C@@H](C(=O)NCCc1ccc(OC)c(OC)c1)N1Cc2ccccc2C1=O 4935029 FCZVGHRXHFVRGE-ZHRRBRCNSA-N 410.514 3.433 0 40 HGAB biogenic COc1ccc(Cc2nnc(SCC(=O)N[C@H]3C[C@H]4CC[C@@H]3C4)o2)cc1OC 4943121 AKNIVHZZTBIQEY-CFVMTHIKSA-N 403.504 3.075 0 40 HGAB CCOc1ccc(N(C(=O)[C@@H](C)Oc2ccccc2)[C@@H]2C=CS(=O)(=O)C2)cc1 5070935 ZJDPFBYMXUWDTH-SJLPKXTDSA-N 401.484 3.197 0 40 HGAB CCc1ccc(OCC(=O)N(Cc2ccccc2Cl)[C@@H]2CCS(=O)(=O)C2)cc1 5084748 XNZFMQXPNCEVPE-GOSISDBHSA-N 421.946 3.497 0 40 HGAB Cc1cccc(S(=O)(=O)Nc2cccc(-c3ccc(N4CCOCC4)nn3)c2)c1 5144764 DOPROVBDTQHJIJ-UHFFFAOYSA-N 410.499 3.089 0 40 HGAB CCSc1ccccc1C(=O)Nc1sc2c(c1C(N)=O)CCN(C(C)=O)C2 5240786 JGAGIBSQESHVQL-UHFFFAOYSA-N 403.529 3.116 0 40 HGAB O=C(NCc1cccnc1)C(C(=O)NCc1cccnc1)C12CC3CC(CC(C3)C1)C2 5571782 GZEWDISSLRVLFE-UHFFFAOYSA-N 418.541 3.242 0 40 HGAB Cc1ccc(S(=O)(=O)Nc2ccc(NC(=S)NC[C@H]3CCCO3)cc2)cc1 6502367 PHWBGJDASHCXBY-QGZVFWFLSA-N 405.545 3.261 0 40 HGAB Cc1nn(Cc2ccc(C(=O)N(C)Cc3cnn(C)c3C)o2)c(C)c1Br 6526463 KXTYYYFKMYHPAD-UHFFFAOYSA-N 420.311 3.218 0 40 HGAB COc1ccc(C2=NN(C(=O)Cn3nnc4ccccc43)[C@H](c3ccco3)C2)cc1 6652621 IDNSDEZCYKZNBF-FQEVSTJZSA-N 401.426 3.411 0 40 HGAB COC(=O)c1c(NC(=O)Cn2cnc3ccccc3c2=O)sc2c1CCCCC2 7136840 QJMPZTRFWRNCFM-UHFFFAOYSA-N 411.483 3.152 0 40 HGAB C[C@@H](NC(=O)CN1C(=O)c2ccccc2S1(=O)=O)c1ccc(Cl)cc1Cl 7605824 SBYYMVSFNJXTMJ-SNVBAGLBSA-N 413.282 3.015 0 40 HGAB COC(=O)c1ccc(OCC(=O)N(C)CCOc2ccc(Cl)cc2)c(OC)c1 7694246 MPUZXGBQXNJGGR-UHFFFAOYSA-N 407.850 3.051 0 40 HGAB COc1ccc(COC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1OC 7970113 UAJMPQFBVDRAAG-UHFFFAOYSA-N 419.499 3.235 0 40 HGAB COc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1C(=O)N1CCCCC1 8560486 DRGPXXDZCNUHGQ-UHFFFAOYSA-N 402.516 3.142 0 40 HGAB COc1ccc2[nH]c3c(N4CCN(C(=O)c5ccc(F)cc5)CC4)ncnc3c2c1 9576912 UZUPFVSNERXCMI-UHFFFAOYSA-N 405.433 3.221 0 40 HGAB Cc1ccccc1CNC(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 9862218 IQIVJJHVJYGXJC-UHFFFAOYSA-N 401.532 3.169 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCCCN1CCCCCC1 10111296 DAWZCKXCTCEVMI-UHFFFAOYSA-N 421.607 3.166 0 40 HGAB Cc1ccc2nc(COC(=O)C3CCN(c4nc5ccccc5o4)CC3)cc(=O)n2c1 10654013 ZPKCNFRFBSDSAN-UHFFFAOYSA-N 418.453 3.104 0 40 HGAB C[C@H](OC(=O)c1ccc(Br)o1)C(=O)Nc1ccc(N2CCOCC2)cc1 10720275 MFSZSTOFLPDKHZ-LBPRGKRZSA-N 423.263 3.063 0 40 HGAB Cc1ccc(CN2CCC(O)(Cn3nc(-c4cccs4)ccc3=O)CC2)s1 12186609 OUSCCNHLCSACDG-UHFFFAOYSA-N 401.557 3.369 0 40 HGAB C[C@@H]1CCCC[C@H]1NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCCC1 12527876 KBJPCCPUAAJWEM-VQIMIIECSA-N 407.580 3.236 0 40 HGAB O=C1C[C@H](C(=O)N(Cc2cccnc2)C2CC2)CN1c1cccc(Br)c1 12546137 HHXBLQKKZLXECL-HNNXBMFYSA-N 414.303 3.388 0 40 HGAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc(NC(=O)c2ccccc2)cc1 12870705 AUHFJXMZYMEUGM-UHFFFAOYSA-N 412.449 3.448 0 40 HGAB CCCNC(=O)[C@@H](C)NC(=O)c1cn(-c2ccccc2)nc1-c1ccc(OC)cc1 12918518 OBCUMGJQYNAVHK-MRXNPFEDSA-N 406.486 3.192 0 40 HGAB COc1ccccc1Oc1ccc(NC(=O)[C@@H]2CCCCN2S(C)(=O)=O)cc1 12941992 NIYRHEFPWYACIC-KRWDZBQOSA-N 404.488 3.240 0 40 HGAB COc1ccc2nc(NC(=O)CS[C@@H](C)C(=O)Nc3cc(C)on3)sc2c1 12944365 OSVMGQWULLWCNK-JTQLQIEISA-N 406.489 3.300 0 40 HGAB O=C(CN1CCN(C(=O)COc2ccc(Cl)cc2)CC1)Nc1ccccc1Cl 12977850 IYWFTPAQPHPRBN-UHFFFAOYSA-N 422.312 3.155 0 40 HGAB Cc1c(C(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)oc2ccc(F)cc12 14182500 AXPFUFJKKPWDPV-UHFFFAOYSA-N 416.474 3.168 0 40 HGAB COc1ccc(C2=NO[C@]3(C(=O)Nc4ccccc43)[C@@H]2C(=O)c2ccco2)cc1OC 15972667 OKUOKVJATFDHJJ-CVDCTZTESA-N 418.405 3.378 0 40 HGAB CC[C@@H]1S[C@H](CC)C(=O)N(CC(=O)Nc2ccc(OC(F)(F)F)cc2)C1=O 17269341 HYARPNQIFSDTCC-BETUJISGSA-N 404.410 3.183 0 40 HGAB CCCCN(C(=O)c1cccc(-n2cccc2)c1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 18083453 AHKBDWNIMCOSMQ-UHFFFAOYSA-N 423.517 3.012 0 40 HGAB CNC(=O)c1ccccc1NC(=O)Cc1csc(-c2ccc(OC)c(OC)c2)n1 19209367 CGQADRNIGAYAIJ-UHFFFAOYSA-N 411.483 3.368 0 40 HGAB Cc1nc(CN2CCN(C(=O)Cn3c(C(F)(F)F)nc4ccccc43)CC2)cs1 19285592 BIXFDPMFJIBSIK-UHFFFAOYSA-N 423.464 3.164 0 40 HGAB OCCN[C@H]1c2cc(-c3ccc(F)cc3)cnc2Sc2nc(-c3cccnc3)nn21 19341271 YTTKYQLLBYMWCU-LJQANCHMSA-N 420.473 3.135 0 40 HGAB CC1(C)Cc2nc(-c3cnccn3)ncc2[C@@H](NC(=O)c2noc3c2CCCC3)C1 19461635 IZHOVIMUODGIAE-INIZCTEOSA-N 404.474 3.244 0 40 HGAB CCCC[C@@H](c1nnnn1C1CCCCC1)N1CCN(C(=O)c2ccco2)CC1 19502114 YPIBXWQWBUOYAF-SFHVURJKSA-N 400.527 3.461 0 40 HGAB CNc1cc([C@H]2CCCN(C(=O)c3ccn(C(F)F)n3)C2)nc(-c2cccnc2)n1 19592194 SNBWYSXUGGASIJ-AWEZNQCLSA-N 413.432 3.192 0 40 HGAB Cc1nonc1CC(=O)N1CCCC[C@@H]1c1nc(N(C)C)ncc1-c1cccc(F)c1 19694384 SHHFBUOQRJVYIR-LJQANCHMSA-N 424.480 3.336 0 40 HGAB Cc1cc(C)n(Cc2cc(C(=O)NCCc3c(C)nn(C)c3C)c3ccccc3n2)n1 19716455 KHSJAGYJZAIYTG-UHFFFAOYSA-N 416.529 3.419 0 40 HGAB Cc1cn2c(=O)c(C(=O)Nc3nnc([C@H](C)Oc4ccccc4)s3)cnc2s1 19717147 FEGNBAGFZLBFOA-NSHDSACASA-N 413.484 3.308 0 40 HGAB COC(=O)C1=C(C)N(c2ccccc2)C(=O)C[C@@H]1C(=O)Nc1ccc(F)c(F)c1 19819063 ODUOKNBNOKSUAT-HNNXBMFYSA-N 400.381 3.403 0 40 HGAB COC(=O)c1ccccc1-c1ccc([C@H](c2c(O)n[nH]c2C)c2c(C)n[nH]c2O)o1 20027275 HHJADECMSYMEIJ-UHFFFAOYSA-N 408.414 3.388 0 40 HGAB Nc1nc(CN2CCN(Cc3ccc(Br)s3)CC2)nc2ccccc12 22799940 RAMDHRRKUVCBSC-UHFFFAOYSA-N 418.364 3.354 0 40 HGAB O=C(c1ccc2c(c1)OCO2)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 23058329 KZEWIKRDJWNUEM-UHFFFAOYSA-N 413.783 3.445 0 40 HGAB CC(C)(C)c1nc(CSc2nnc(N3CCOCC3)n2-c2ccccc2)no1 28014329 GLYOIYHLIVPQTH-UHFFFAOYSA-N 400.508 3.077 0 40 HGAB Cc1cccn2c(=O)cc(CN3C(=O)N[C@](C)(c4cccc5ccccc45)C3=O)nc12 31632891 QNKGKUKILACGPW-XMMPIXPASA-N 412.449 3.123 0 40 HGAB COC(=O)c1ccc2nc(C)cc(NC(=O)c3ccc(N4C(=O)CCC4=O)cc3)c2c1 32103417 LKZHTAGOWGGNNG-UHFFFAOYSA-N 417.421 3.236 0 40 HGAB COc1cc(OC)c(C2=CCN(C[C@@H](O)COc3ccccc3F)CC2)c(OC)c1 32860412 VIEZWWXPGROTOJ-QGZVFWFLSA-N 417.477 3.381 0 40 HGAB Cc1ccc(CNC(=O)C2CCN(C(=O)COc3ccc(F)cc3F)CC2)cc1F 32931523 OMYRUROTUJLSNO-UHFFFAOYSA-N 420.431 3.346 0 40 HGAB CN1CCN(c2ccccc2NC(=S)NC(=O)Cc2ccc(Cl)cc2)CC1 33746291 LSRMNHDHRAQZML-UHFFFAOYSA-N 402.951 3.148 0 40 HGAB CCNC(=O)c1cn(C)c(-c2nc3cc(NC(=O)c4ccco4)ccc3n2C)c1OC 36369992 BPPWPPHBHDARTK-UHFFFAOYSA-N 421.457 3.182 0 40 HGAB biogenic CCc1c(C(=O)N(C)Cc2ccccc2N2CCCC2)cnn1-c1ccc(OC)nn1 40120386 FKMYIOLTIAAOKQ-UHFFFAOYSA-N 420.517 3.106 0 40 HGAB C[C@H]1CCCC[C@@H]1OCCNC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 45956015 WQXDGGVZAMNFDM-BBRMVZONSA-N 417.959 3.307 0 40 HGAB O=C(NCCN1CCc2ccccc2C1)Nc1cc(Cl)ccc1N1CCOCC1 48373854 VNYHHEMEQAJUBU-UHFFFAOYSA-N 414.937 3.356 0 40 HGAB Cc1ccc(C)c(NC(=O)Cn2nc3c(Sc4ccccc4)nccn3c2=O)c1 49008753 RYTKGLLEAMDORQ-UHFFFAOYSA-N 405.483 3.298 0 40 HGAB Cc1cccc(NC(=O)Cn2c(=O)n(-c3ccccc3)c(=O)c3sccc32)c1C 57428886 QPHJRXXOYKENQH-UHFFFAOYSA-N 405.479 3.469 0 40 HGAB Cc1cccc(-n2c(=O)c3sccc3n(CC(=O)N3C[C@H](C)C[C@@H](C)C3)c2=O)c1 57490030 FKXMHHADAMWJJD-HZPDHXFCSA-N 411.527 3.027 0 40 HGAB CCOC(=O)c1sc2nc(C)nc(Nc3ccc(N4CCOCC4)nc3)c2c1C 57709839 YXYBYHKUNHFODL-UHFFFAOYSA-N 413.503 3.460 0 40 HGAB O=c1c(Cl)c(N2CCN(Cc3nc4ccccc4o3)CC2)cnn1-c1ccccc1 58170538 GNXORTJULOVEEI-UHFFFAOYSA-N 421.888 3.349 0 40 HGAB CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(CCC(C)(C)C)CC1 63801540 YLKGNFKZMSYUBB-INIZCTEOSA-N 401.617 3.213 0 40 HGAB O=C1C[C@H](C(=O)NCc2cccc(C(F)(F)F)c2)[C@@H](c2ccc3c(c2)OCCO3)O1 66088449 WSWIYSMTSMKDLQ-HNAYVOBHSA-N 421.371 3.397 0 40 HGAB C[C@@]12CC[C@@H](C[C@@H]1C(=O)N1CCCC[C@@H]1CCO)[C@]1(C2)NC(=O)c2ccccc2N1 72326958 DQGYHOBVUSZNOZ-GHUGBGHDSA-N 411.546 3.128 0 40 HGAB Cc1ccc(Nc2nccc([C@@H]3CCCN(C(=O)Cc4c(C)noc4C)C3)n2)nc1 72378071 VIBNMZHQJANMMR-QGZVFWFLSA-N 406.490 3.477 0 40 HGAB Cc1ccc(NC(=O)CN2CC[C@@H](N(CC(=O)Nc3ccc(C)cc3)C3CC3)C2)cc1 89634960 WYHCRPVQYVUBAV-HSZRJFAPSA-N 420.557 3.419 0 40 HGAB COc1cc(CNC(=O)C2(N3CCN(C)CC3)CCCC2)ccc1OCCC(C)C 95405507 LMVLNNAAOSUABS-UHFFFAOYSA-N 417.594 3.297 0 40 HGAB CS(=O)(=O)c1ccc(NC(=O)CCCNC(=O)c2ccsc2)cc1C(F)F 95463539 ZRXBLZMUZSZQQJ-UHFFFAOYSA-N 416.471 3.238 0 40 HGAB CC(C)(CC1CCOCC1)C(=O)N[C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 96002508 SUJQHZPGYDSDFF-SFHVURJKSA-N 400.498 3.358 0 40 HGAB COC(=O)C[C@H](c1c(O)n[nH]c1Cc1ccccc1)c1cc2ccccc2[nH]c1=O 96230735 VEBVBTKLHYKGGQ-INIZCTEOSA-N 403.438 3.243 0 40 HGAB Cc1cc2ncn([C@@H]3CC(=O)N(Cc4ccc(N5CCCC5=O)cc4)C3=O)c2cc1C 100147284 NNLTXDVKHDAIBQ-OAQYLSRUSA-N 416.481 3.280 0 40 HGAB COc1cc(OC)cc(C(=O)/N=c2\sc3c(C)cc(C)cc3n2CC(=O)O)c1 100969448 XBAVAXSGHVLUJV-MRCUWXFGSA-N 400.456 3.163 0 40 HGAB CC[C@@H](C(=O)Nc1cc(C(=O)OC)ccc1C)N(c1ccccc1F)S(C)(=O)=O 220592598 GCMLUYUABHNZTN-KRWDZBQOSA-N 422.478 3.104 0 40 HGAB Cc1cc(C)c([C@H](C)NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)N(C)C)cc1C 223446614 KMTRWQRYLXZTPA-KRWDZBQOSA-N 421.538 3.241 0 40 HGAB Cc1ccc(C)c(N(CCCC(=O)NCCOc2ccccc2)S(C)(=O)=O)c1 224149600 MJEFQBMIGPEYCP-UHFFFAOYSA-N 404.532 3.045 0 40 HGAB CC[C@H](NC(=O)CN(Cc1ccc(C)cc1)S(C)(=O)=O)c1ccc(OC)c(C)c1 224934901 RVZPQPZTLPYATH-FQEVSTJZSA-N 418.559 3.341 0 40 HGAB COc1ccc(CCNC(=O)Cn2ccc(=O)c3cc(Cl)ccc32)cc1OC 225722404 MQRPFISWCLLCDB-UHFFFAOYSA-N 400.862 3.031 0 40 HGAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)N2c3ccccc3C[C@@H]2C)cc1 226046556 JIOQZGBUCCYMDG-INIZCTEOSA-N 402.516 3.074 0 40 HGAB O=C1N[C@]2(C[C@H]3CC[C@H]2C[C@@H]3C(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)Oc2ccccc21 247710649 JACHWOMCHFUKFN-ZCYDAKROSA-N 424.541 3.095 0 40 HGAB CCCc1ccc(CN2CCO[C@@](COc3cccc(Cl)c3)(CC(N)=O)C2)o1 257206123 BBYXSCAHFJOGSV-NRFANRHFSA-N 406.910 3.411 0 40 HGAB CO[C@H]1CCN(CC(=O)Nc2nc(-c3ccc(F)cc3)c(C)s2)C[C@]12CCCO2 257236959 HEPMGCWHRTVSPT-LAUBAEHRSA-N 419.522 3.466 0 40 HGAB COc1ccc(C(=O)N2CC[C@H](Oc3ccc(Cl)cc3)[C@@H](CC(N)=O)C2)cc1 257241651 HYYJKVIWZLJTPE-KXBFYZLASA-N 402.878 3.134 0 40 HGAB O=C1CCCN1CC(=O)N1CCC[C@@H](c2ncc(Cc3ccc(Cl)cc3)o2)C1 257256396 KLHULQJTFFIPSS-MRXNPFEDSA-N 401.894 3.247 0 40 HGAB CCOc1ccc(CCC(=O)N2CC[C@@H](c3nc(C)c4c(n3)N(C)C(=O)CC4)C2)cc1 257291566 QHOISQIHLCMASA-GOSISDBHSA-N 422.529 3.041 0 40 HGAB Cc1ccccc1CN1CCC(c2nnc([C@@H]3CCCCN3S(C)(=O)=O)o2)CC1 257333135 YAHFWKCPGAXVBZ-IBGZPJMESA-N 418.563 3.244 0 40 HGAB Cc1nc(C(=O)N2C[C@H]3c4cc(-c5ccoc5)ccc4S(=O)(=O)[C@H]3C2)cs1 306137476 QXIICGRVVMZTBS-YJBOKZPZSA-N 400.481 3.107 0 40 HGAB COC(=O)N1Cc2nnc(-c3ccccc3)n2C2(CCN(Cc3ccoc3)CC2)C1 306139453 SXQIWLDSJVLVPV-UHFFFAOYSA-N 407.474 3.111 0 40 HGAB CC(=O)Nc1cccc(NS(=O)(=O)c2ccc(NC(=O)N3CCCC3)cc2)c1 408584850 VWXUNUZCUHUYPN-UHFFFAOYSA-N 402.476 3.074 0 40 HGAB CCOc1ccc(C(=O)NCc2ccccc2Cl)cc1S(=O)(=O)N1CCCC1 408698905 STCPEXXZTJLJRC-UHFFFAOYSA-N 422.934 3.453 0 40 HGAB COCCn1c(Cc2ccccc2)nnc1SCC(=O)N1[C@@H](C)CCC[C@H]1C 409120391 VMKOVNFEFAUMOZ-CALCHBBNSA-N 402.564 3.397 0 40 HGAB CCCNC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1cc(C)ccc1OC 409389151 MNUDZUTUKAJRIV-UHFFFAOYSA-N 404.532 3.342 0 40 HGAB Cn1nccc1C(=O)N1CCOCCOc2ccc(F)cc2Cc2cccc(c2)C1 643582013 NRKHBDLUHIPDJR-UHFFFAOYSA-N 409.461 3.201 0 40 HGAB CNC(=O)c1ccc(NC(=O)c2cc(-c3ccccc3)nc3cc(F)ccc23)nn1 1527162196 DXGGRLDOAJDPDG-UHFFFAOYSA-N 401.401 3.443 0 40 HGAB CCn1cc(S(=O)(=O)N2CCC(c3ccc4cc(Cl)cnc4n3)CC2)nc1C 1890798899 FYWNPJYALDEMOU-UHFFFAOYSA-N 419.938 3.376 0 40 HGAB CCOc1ccc(Br)cc1[C@H]1C(C(=O)OC(C)C)=C(C)Nc2nnnn21 936955 DFPVHHFDASJLIE-HNNXBMFYSA-N 422.283 3.075 0 40 HGAB CCN(c1ccccc1)S(=O)(=O)c1ccc(NC(=S)NC(=O)C(C)C)cc1 2136994 JKJSQQAITVMZIY-UHFFFAOYSA-N 405.545 3.371 0 40 HGAB C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)NCCc1ccc(Cl)cc1Cl)C2=O 2639356 OYPWSPAFWOVWQP-BLVKFPJESA-N 412.317 3.153 0 40 HGAB CC(C)C[C@@H](NS(=O)(=O)c1cccc2nsnc12)C(=O)Nc1cccc(F)c1 3219621 DSGUTHSHTCQMCE-OAHLLOKOSA-N 422.507 3.162 0 40 HGAB O=C(CN1C(=O)c2ccccc2S1(=O)=O)Nc1cc(Cl)c(Cl)cc1Cl 3221530 VDKCJBJLFQJDEM-UHFFFAOYSA-N 419.673 3.430 0 40 HGAB COc1ccc(CNC(=O)COC(=O)c2ccccc2C(=O)c2ccccc2)cc1 3301717 ISKOXMXLHGOQGY-UHFFFAOYSA-N 403.434 3.399 0 40 HGAB C=Cc1ccc(CN2C(=O)N(c3ccc(OCC)cc3)[C@H]3CS(=O)(=O)C[C@H]32)cc1 4484272 DEOVSOAQIGZGIX-RTWAWAEBSA-N 412.511 3.336 0 40 HGAB CC(=O)c1ccc(N2C(=O)c3ccc(C(=O)OCC(=O)C(C)(C)C)cc3C2=O)cc1 4545580 OOYSEEJBQRHGPU-UHFFFAOYSA-N 407.422 3.462 0 40 HGAB CCOC(=O)c1ccc(N2C[C@@H](C(=O)O[C@H](CC)C(=O)c3ccccc3)CC2=O)cc1 4610602 YSPDOFUYTAKYDS-AZUAARDMSA-N 423.465 3.421 0 40 HGAB COc1cccc(-n2c(SCC(=O)NC3CCCC3)nnc2-c2ccncc2)c1 4854706 DUZHZPCRXWVROR-UHFFFAOYSA-N 409.515 3.489 0 40 HGAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2cc(Cl)c(N)cc2OC)c1C 4916844 UJISLWHEDKHFSD-NSHDSACASA-N 422.865 3.481 0 40 HGAB CC(C)(C)n1nc2c(c1NC(=O)c1ccc(C(F)(F)F)cc1)CS(=O)(=O)C2 5077887 HMPXZBNVLHGQAP-UHFFFAOYSA-N 401.410 3.338 0 40 HGAB CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)c2cn3ccccc3n2)c1 5695036 CQKQATZGJLSYOZ-UHFFFAOYSA-N 406.467 3.412 0 40 HGAB COC(=O)CSc1nc2ccc(Br)cc2c(=O)n1Cc1ccco1 6141233 BOCUJILBCRDRGU-UHFFFAOYSA-N 409.261 3.065 0 40 HGAB C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)NCc2ccncc2)c1 6167902 LCXLOXWMYGQGGG-MRXNPFEDSA-N 407.495 3.152 0 40 HGAB Cc1ccc2nc(SCc3cccc(S(=O)(=O)N4CCOCC4)c3)[nH]c2c1 6506656 MKRUSPOTEZUBOL-UHFFFAOYSA-N 403.529 3.185 0 40 HGAB Cc1ccc([C@]2(C)NC(=O)N(C[C@@H](O)COc3cccc4ccccc34)C2=O)cc1 7201126 ARMMEFOMPPSBKE-DVECYGJZSA-N 404.466 3.355 0 40 HGAB CSCC[C@@H](NC(N)=O)C(=O)OCc1cc(=O)oc2cc(C)c(C(C)C)cc12 7483283 UEJZWEZWGNVPNI-MRXNPFEDSA-N 406.504 3.058 0 40 HGAB CC(C)[C@H](NC(=O)Cc1n[nH]c(=O)c2ccccc12)c1ccc2c(c1)OCCCO2 7738438 CWTCNSHPCMYIJI-QFIPXVFZSA-N 407.470 3.140 0 40 HGAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)OC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O 7807194 HGABNJDRKFXVND-UONOGXRCSA-N 404.422 3.275 0 40 HGAB CC[C@@H](Oc1ccccc1OC)C(=O)Nc1cc(C(=O)OC)cc(C(=O)OC)c1 8558408 XTEFONJQZDFGSN-MRXNPFEDSA-N 401.415 3.065 0 40 HGAB CC(C)(C)c1ccc([C@@]2(C)NC(=O)N(CC(=O)c3ccc4c(c3)OCO4)C2=O)cc1 8947351 DNDMPBIZDNXCAG-HSZRJFAPSA-N 408.454 3.363 0 40 HGAB CCc1ccc(NC(=O)[C@@H]2CCC(=O)N2[C@H]2OC(=O)c3c2ccc(OC)c3OC)cc1 9034103 MJTLFNZEUJHLJK-AOMKIAJQSA-N 424.453 3.065 0 40 HGAB biogenic O=C1C[C@H](CNS(=O)(=O)c2ccccc2C(F)(F)F)CN1c1ccc(F)cc1 9036478 IWDQXBWIGBPGAP-GFCCVEGCSA-N 416.396 3.176 0 40 HGAB CCOC(=O)c1ccc(NC(=O)CSc2nnc(NC(=O)CC(C)C)s2)cc1 9364429 LRFBPYZVLAOHCA-UHFFFAOYSA-N 422.532 3.430 0 40 HGAB Cc1cc(S(=O)(=O)N(C)C)cc(NC(=O)COc2ccc(F)c(Cl)c2)c1C 10788972 LSRAIFWBLCJABM-UHFFFAOYSA-N 414.886 3.364 0 40 HGAB CC(C)c1ccccc1NC(=O)c1cccc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)c1 12030524 XADHALNCTAOQPR-KRWDZBQOSA-N 421.540 3.023 0 40 HGAB NC(=O)c1ccc(NC(=O)CNc2cc(C(F)(F)F)ccc2N2CCCC2)cc1 12517489 KTJWSZNKYUCUEY-UHFFFAOYSA-N 406.408 3.455 0 40 HGAB CCCCNc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C1CCCCC1 12522354 WBDYRXIRVFKAIH-UHFFFAOYSA-N 423.579 3.438 0 40 HGAB NC1=Nc2nc3cc4c(cc3n2[C@H](c2ccccc2Br)N1)OCCCO4 12630194 UYYNFVPCLAVIQY-MRXNPFEDSA-N 414.263 3.056 0 40 HGAB CC(=O)N1CCN(C(=O)[C@@H](Nc2ccc(C(F)(F)F)cc2Cl)C(C)C)CC1 12904734 IGDJXGBELSCZBT-INIZCTEOSA-N 405.848 3.486 0 40 HGAB O=C(Nc1nc(CN2CCCC2)cs1)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 12980646 ZUGCPQNWUSIALJ-CYBMUJFWSA-N 404.923 3.384 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2cnc(-c3ccccc3)nc2)cc1 13008754 BWKBNZRBDCTQSL-UHFFFAOYSA-N 410.499 3.426 0 40 HGAB COC(=O)c1cc(NC(=O)[C@@H]2CC(=O)N(c3cccc(OC)c3)C2)ccc1Cl 13022423 QHQHYMMPTVENQW-GFCCVEGCSA-N 402.834 3.127 0 40 HGAB CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NCc2ccc3c(c2)OCO3)c1 13074769 ZWJGTIVKGHSNRC-UHFFFAOYSA-N 424.478 3.170 0 40 HGAB COc1c(Br)cc(/C=C2\SC(=N)NC2=O)c(O)c1Br 13426737 RSIZHIIWKFODSA-UTCJRWHESA-N 408.071 3.064 0 40 HGAB CS(=O)(=O)N1CCC(C(=O)Nc2nc(-c3cc4ccccc4o3)cs2)CC1 13705068 DDFIWMIIODHMIV-UHFFFAOYSA-N 405.501 3.166 0 40 HGAB COc1cccc(NC(=O)[C@@H](C)OC(=O)[C@H](C)NC(=O)c2ccccc2Cl)c1 14240939 PRPLHOIDVFLASV-QWHCGFSZSA-N 404.850 3.037 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCCC[C@H]2CC(=O)NCc2ccc(F)cc2)cc1 15390783 OOQCJVOLBCYQAM-IBGZPJMESA-N 404.507 3.384 0 40 HGAB COc1ccc(NC(=O)C[C@@H]2CCCCN2S(=O)(=O)c2ccc(OC)cc2)cc1 15391077 XFEQKGAOYYLEQG-KRWDZBQOSA-N 418.515 3.276 0 40 HGAB C[C@H](NC(=O)COc1ccc(S(=O)(=O)NC2CCCC2)cc1)c1ccccc1 16576859 NKOWRPJBMNKAOK-INIZCTEOSA-N 402.516 3.164 0 40 HGAB COc1c(F)c(F)c(C(=O)NC(=S)Nc2ccc3c(c2)OCCO3)c(F)c1F 17090524 WRYBIOXTOBNCDB-UHFFFAOYSA-N 416.352 3.150 0 40 HGAB CCS(=O)(=O)N1CCCc2cc(NS(=O)(=O)c3cc(C)ccc3C)ccc21 17316525 QVHWPCOZPYNWRS-UHFFFAOYSA-N 408.545 3.207 0 40 HGAB Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1C(=O)C(=O)N1C[C@H](C)O[C@@H](C)C1 17327798 ATNQQAQVMHDCED-RYUDHWBXSA-N 409.408 3.326 0 40 HGAB Cc1cc(-c2cnc(N3CCOCC3)nc2C2CCN(Cc3ccccn3)CC2)on1 19123244 JYGQVSUCAZYGCK-UHFFFAOYSA-N 420.517 3.051 0 40 HGAB Cc1ccc(CC(=O)N2CCC(c3cc(C(F)(F)F)n4ncnc4n3)CC2)cc1 19209332 CXAYRJQPLCZWKW-UHFFFAOYSA-N 403.408 3.400 0 40 HGAB Cn1nc(-c2cccnc2)cc1CN1CCN(C(=O)c2csc3c2CCCC3)CC1 19289043 PUUVYXFCSCAKLM-UHFFFAOYSA-N 421.570 3.380 0 40 HGAB CCN1CCN(Cc2nccn2CC)C[C@@H](Cc2ccc(-c3cccnc3)cc2)C1=O 19578091 GIMHANWQCLFAFV-HSZRJFAPSA-N 417.557 3.488 0 40 HGAB CCc1ccccc1N(CC(=O)NCCSCc1ccccc1)S(C)(=O)=O 20236822 STXAUHKLAPEXDC-UHFFFAOYSA-N 406.573 3.065 0 40 HGAB CC[C@]1(C)Cc2c(sc3nc(SC)nc(NCCN4CCOCC4)c23)CO1 20358857 WEXFNYHTNZFCMP-LJQANCHMSA-N 408.593 3.399 0 40 HGAB CCc1nnc(COC(=O)c2cc(S(=O)(=O)Nc3cccc(C)c3)ccc2C)o1 21333246 DVZUDGQRGVAKBA-UHFFFAOYSA-N 415.471 3.407 0 40 HGAB O=C(c1cccc(S(=O)(=O)NCC(F)(F)F)c1)N1CC[C@H]2CCCC[C@H]2C1 21905492 GEYAXWYFEXRZDO-HIFRSBDPSA-N 404.454 3.180 0 40 HGAB NC(=O)c1ccc(N2CCCCC2)c(NC(=O)c2cncc(Br)c2)c1 22530741 NZTLWIWFVDHUPD-UHFFFAOYSA-N 403.280 3.186 0 40 HGAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@H](C)c2cc(C)c(C)cc2C)cc1C 22539375 OCBZWYQXDSKFFK-MSOLQXFVSA-N 418.559 3.473 0 40 HGAB O=C(Nc1ccncc1)C1CCN(C(=O)c2cc(Br)ccc2F)CC1 24701156 DSJCBGQVNNHNDL-UHFFFAOYSA-N 406.255 3.474 0 40 HGAB O=C(c1cc(N2CCN(c3ccccc3)CC2)nc2ccccc12)N1CCOCC1 25573279 PJXYGQFPUMDSKO-UHFFFAOYSA-N 402.498 3.034 0 40 HGAB CCn1nccc1NS(=O)(=O)c1cc(Br)ccc1Br 28249317 VRDQLGKSNZFHQU-UHFFFAOYSA-N 409.103 3.229 0 40 HGAB CC(C)[C@H](NS(=O)(=O)c1ccccc1)C(=O)Nc1nc2c(s1)CCCCC2 32885728 KXQTWOAHCTYGNS-KRWDZBQOSA-N 407.561 3.354 0 40 HGAB CN(C)[C@H](CNC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1)Cc1ccccc1 32983488 BNGIYVIDJOPTTL-XXFRDUSWSA-N 419.569 3.228 0 40 HGAB O=Cc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccccc2)C(c2ccccc2)=NN=3)cc1 33700897 OALPZFJPSSTQMB-FQWPPLDYSA-N 423.497 3.178 0 40 HGAB Cc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4cc(C)cc(C)c4)C(=O)[C@@H]3[C@H]3CCCN23)cc1 35380443 IWNOZIKSIZMADR-YSFYHYPLSA-N 402.494 3.447 0 40 HGAB CCn1ncc(-c2noc3nc(C4CC4)cc(C(=O)N[C@H](C)Cn4cccn4)c23)c1C 36618908 QBCRPMKRTMFSQF-CYBMUJFWSA-N 419.489 3.307 0 40 HGAB C[C@H](CNC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1)CN1CCCCC1 40157530 HSHRCNJVLDUIPL-GOSISDBHSA-N 415.559 3.339 0 40 HGAB C[C@@H](Sc1nccc(C(F)(F)F)n1)C(=O)N1CCN(Cc2ccccc2)CC1 41896433 MLCOWHGGHLIOOY-CQSZACIVSA-N 410.465 3.320 0 40 HGAB O=C(Nc1ccc(-n2cccn2)nc1)[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 45946718 JLSGQWWIOMQRDG-BSFBHTCNSA-N 419.529 3.413 0 40 HGAB Cc1ccc(-c2nn(C)c(=O)c3c2CCCC3)cc1S(=O)(=O)N1CCCC[C@H]1C 46027430 JOBMMJFSKMPJKV-MRXNPFEDSA-N 415.559 3.198 0 40 HGAB Cc1ccc(NS(=O)(=O)c2n[nH]c(C)c2C(=O)NCc2ccc(F)cc2F)cc1 49003413 DJYOJVCYWUZUHW-UHFFFAOYSA-N 420.441 3.036 0 40 HGAB Cc1cccc(NC(=O)Cn2nc3cc(C)nc(Nc4ccc(F)c(C)c4)n3c2=O)c1 49410711 ODEXWZBBPNMOTM-UHFFFAOYSA-N 420.448 3.338 0 40 HGAB CCCOc1c(Cl)cc(C(=O)N2CCC(N3CCNC3=O)CC2)cc1OCC 55786318 QPGBPPLEUMCOBJ-UHFFFAOYSA-N 409.914 3.157 0 40 HGAB COc1ccc(COC(=O)c2cccc(NC(N)=O)c2)c(Br)c1OC 56279288 VDGALRJTCGKEMS-UHFFFAOYSA-N 409.236 3.314 0 40 HGAB COc1ccc(CC(=O)O)cc1S(=O)(=O)Nc1ccc(F)cc1Br 57118591 HIKQTIJMMKBXJX-UHFFFAOYSA-N 418.240 3.025 0 40 HGAB Cc1sc2[nH]c(CCC(=O)NCCCCN3C[C@@H](C)C[C@H](C)C3)nc(=O)c2c1C 58023502 KYZISGOJBPEHSY-GJZGRUSLSA-N 418.607 3.408 0 40 HGAB COCCN(C)C[C@@H]1CCCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl 58364964 HAQDVWBPEJDALO-LBPRGKRZSA-N 415.770 3.378 0 40 HGAB CC(C)Cc1nnc(NC(=O)[C@H](Cc2ccccc2)NC(=O)N2CCCC2)s1 61720602 YIBYQMOASQAPBQ-INIZCTEOSA-N 401.536 3.092 0 40 HGAB Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)NC(C)(C)C)Oc3cc(C)ccc32)cc1 64985944 DWVUDQDGPWTXRS-LJQANCHMSA-N 402.516 3.174 0 40 HGAB Cc1c(C)c(C)c(S(=O)(=O)NCCC(=O)N2CCn3cccc3[C@@H]2C)c(C)c1C 65518501 DMCAEJNPYHLPCP-IBGZPJMESA-N 417.575 3.302 0 40 HGAB COc1cccc(-c2cn(C)c3c(=O)n(CC(=O)N(C)c4cccc(C)c4)cnc23)c1 67235639 KTZFFBZXQIRBQC-UHFFFAOYSA-N 416.481 3.382 0 40 HGAB COc1ccc(NS(=O)(=O)c2n[nH]c(C)c2C(=O)Nc2ccccc2C)cc1 67245468 NUEBYYLJPCGNLB-UHFFFAOYSA-N 400.460 3.088 0 40 HGAB Cc1cc(S(=O)(=O)NCC2CCN(c3cnccn3)CC2)c(Cl)cc1Cl 70923175 NNPVTXUGOYOWMW-UHFFFAOYSA-N 415.346 3.287 0 40 HGAB COc1ccc(C2=NC(C)(C)N(CC(=O)Nc3ccc(Cl)cc3F)C2=O)cc1 71327821 HFEAPFRXCPGMFH-UHFFFAOYSA-N 403.841 3.494 0 40 HGAB O=C(c1cc(Cc2ccccc2)ccc1O)N1CCN(C(=O)N2CCCCC2)CC1 71853545 UOWLMXBVMSBBAV-UHFFFAOYSA-N 407.514 3.347 0 40 HGAB O=C(COc1ccccc1)N1CCC[C@H](c2cncc(-c3ccc(CO)cc3)n2)C1 72359477 IHQNRYHUDZSNEB-FQEVSTJZSA-N 403.482 3.421 0 40 HGAB CCc1c(C)nc2cc(-c3cc(C)on3)nn2c1N1CCN(Cc2ccccn2)CC1 72396613 KSAPLCHZUYCGFZ-UHFFFAOYSA-N 417.517 3.281 0 40 HGAB O=C(Cc1ccc(OC(F)(F)F)cc1)NC[C@@H]1CC(=O)N(CCc2ccccc2)C1 79056420 ZYOGOKHGLKSQTM-SFHVURJKSA-N 420.431 3.335 0 40 HGAB O=C(CCN1C(=O)[C@H]2CCCC[C@H]2C1=O)OCc1nc2ccccc2n1C(F)F 84600675 AZLBAIUKARVFFL-BETUJISGSA-N 405.401 3.040 0 40 HGAB O=C(c1cnc[nH]1)N(CC1CCN(Cc2ccccc2F)CC1)C[C@H]1CCCO1 95502298 OHSVOMWBJGWQGX-LJQANCHMSA-N 400.498 3.082 0 40 HGAB CS(=O)(=O)CCOCCNc1ccc2c(Br)ccc(Cl)c2n1 95986655 CVAJEVDDRUWFQR-UHFFFAOYSA-N 407.717 3.124 0 40 HGAB CCS(=O)(=O)C(Br)(Br)[C@H](O)c1ccc(Cl)cc1 96520884 JLPSAFOUGMFNFB-SECBINFHSA-N 406.523 3.252 0 40 HGAB Cc1ccc(C(=O)c2ccccc2NC(=O)CNS(=O)(=O)c2ccc(C)cc2)cc1 97165854 LUUINLWDRCUDKE-UHFFFAOYSA-N 422.506 3.451 0 40 HGAB Cc1cc(C(F)F)n2ncc(C(=O)N3[C@H]4CC[C@H]3c3cnc5cc(C)nn5c3C4)c2n1 100141321 MPCMTBQACYUGHW-WFASDCNBSA-N 423.427 3.228 0 40 HGAB COc1cc(Cl)c(C)cc1NC(=O)COC(=O)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 102773442 JNYSNXKSRRIYNM-RKOMNEFPSA-N 407.894 3.470 0 40 HGAB COC(=O)[C@@H]1[C@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN12 104141760 BXXHLOUIOGUWCB-OKYOBFRVSA-N 408.841 3.028 0 40 HGAB COc1cccc(CCCNC(=O)CCCN(c2ccc(C)cc2)S(C)(=O)=O)c1 219625786 GQFVQIFIBNMLBR-UHFFFAOYSA-N 418.559 3.299 0 40 HGAB COc1ccc(C)cc1N([C@H](C)C(=O)N1CCCc2ccccc21)S(C)(=O)=O 220341743 YPETUQHJLYQRRB-MRXNPFEDSA-N 402.516 3.138 0 40 HGAB CC[C@H](C(=O)Nc1ccc(C(=O)OC)cc1)N(c1cc(C)cc(C)c1)S(C)(=O)=O 220562232 FRGXIWVBJZYPAD-LJQANCHMSA-N 418.515 3.273 0 40 HGAB Cc1ccc(C(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)cc1N(C)S(C)(=O)=O 222461179 TWHRSJMKRPPKIK-QGZVFWFLSA-N 402.516 3.423 0 40 HGAB CCn1c(=O)oc2cc(S(=O)(=O)Nc3ccccc3Br)c(C)cc21 223354021 IYYYAYSZTFYXMG-UHFFFAOYSA-N 411.277 3.486 0 40 HGAB COC(=O)c1cccc(NS(=O)(=O)c2ccc(SC)c(NC(C)=O)c2)c1C 223716629 LPFVNUZPSGSJGV-UHFFFAOYSA-N 408.501 3.263 0 40 HGAB CSc1nc(C)cc(NCCOC(=O)c2snnc2-c2ccc(F)cc2)n1 223844014 SRBTVFZZTUNEPU-UHFFFAOYSA-N 405.480 3.433 0 40 HGAB Cc1ccc(C(=O)NCCOc2ccccc2Cl)cc1S(=O)(=O)N1CCCC1 224022587 PGRJSAKGINDBIL-UHFFFAOYSA-N 422.934 3.242 0 40 HGAB CCSc1nnc(NC(=O)CCCN(c2ccc(C)cc2)S(C)(=O)=O)s1 224693823 KZUXPLWNFVCPHK-UHFFFAOYSA-N 414.578 3.143 0 40 HGAB COC(=O)CN(c1ccc(Br)c(C)c1)S(=O)(=O)c1ccc(F)cc1 224914932 LNWFRAQGFKTDLM-UHFFFAOYSA-N 416.268 3.265 0 40 HGAB CCOC(=O)CN(c1cccc(C(=O)OCC)c1C)S(=O)(=O)c1ccc(F)cc1 224923020 HLLXFQVEZMZYPJ-UHFFFAOYSA-N 423.462 3.069 0 40 HGAB Cc1cn(-c2ccccc2)nc1O[C@@H](C)C(=O)Nc1ccc(N2CCOCC2)cc1 226851880 MDFPALJNLQZNLX-SFHVURJKSA-N 406.486 3.423 0 40 HGAB CO[C@@H]1CN(CC(=O)Nc2nc(-c3ccc(C)cc3)cs2)CC[C@@]12CCCO2 257221011 DNDZKCHTJJVTPY-NQIIRXRSSA-N 401.532 3.327 0 40 HGAB CN(CC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3N[C@H]2Cc1ccccc1)Cc1ccccn1 257259813 LAECHXGSPBECOW-TYUWDEHNSA-N 418.585 3.256 0 40 HGAB COCCN1CC[C@]2(CN(Cc3ccccc3F)C[C@H]2c2cn(C(C)C)cn2)C1=O 306125426 CQOCNVNBAKUORS-WMZHIEFXSA-N 414.525 3.068 0 40 HGAB O=C(Cc1c(F)cccc1Cl)N1CC[C@@H](c2cccs2)S(=O)(=O)CC1 390831449 RWZPXFJAYNSYJA-INIZCTEOSA-N 401.912 3.472 0 40 HGAB COc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)N2CCC(C)CC2)CC1 408586847 CEQJGSPYOVHZCY-UHFFFAOYSA-N 414.955 3.008 0 40 HGAB O=C(COC(=O)CCC(=O)NC1CCCCC1)Nc1ccc(Br)cc1 408645956 MYCUQVMMMJPRNX-UHFFFAOYSA-N 411.296 3.160 0 40 HGAB Cc1ccc(-c2c3c(nc4c2c(=O)n(C)c(=O)n4C)-c2ccccc2[C@H]3O)cc1Cl 408981019 HGAAGPYOWRDXOH-HXUWFJFHSA-N 419.868 3.323 0 40 HGAB CC[C@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Nc1cc(OC)ccc1OC 408999314 QTNDYAZDHYKITH-YWZLYKJASA-N 420.531 3.344 0 40 HGAB CCCCN1C(=O)S/C(=C\c2cn(CC(=O)NCCOC)c3ccccc23)C1=O 409147295 VPUJXDKCEXFCIV-PDGQHHTCSA-N 415.515 3.240 0 40 HGAB O=C(Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1)c1ccc2nnc(O)n2c1 513966752 XVBYIRVAEYALNJ-UHFFFAOYSA-N 413.865 3.403 0 40 HGAB O=C([C@H]1CCCN(c2ccc3ccc(Br)cc3n2)C1)N1CCOCC1 811719540 ZDAVAOQCOAGUFF-HNNXBMFYSA-N 404.308 3.073 0 40 HGAB CCn1cc(CN2CCc3nc(C(=O)Nc4cccc(OC)c4)sc3CC2)cn1 1205528461 NFXSKIFWLSWBHT-UHFFFAOYSA-N 411.531 3.221 0 40 HGAB C[C@H]1[C@H](NC(=O)N[C@H](CC(N)=O)c2ccc(Cl)cc2)CCN1Cc1ccccc1 1683098958 AFISJJCXQDITIY-CWFSZBLJSA-N 414.937 3.219 0 40 HGAB Cc1nc(CN2CC3(CCN(C(=O)c4cccc(Cl)n4)CC3)CC2=O)cs1 2055796019 LCOXAVVFBMMHNV-UHFFFAOYSA-N 404.923 3.155 0 40 HGAB O=C(O)c1ccc(N2C(=O)c3ccc(-c4nc5ccccc5c(=O)o4)cc3C2=O)cc1 855956 JPXBHNPNQXUXHV-UHFFFAOYSA-N 412.357 3.354 0 40 HGAB COc1ccccc1NC(=O)CSc1nnc(CNc2ccc(F)cc2)n1C 874009 BTIKCHDAKJOZFQ-UHFFFAOYSA-N 401.467 3.306 0 40 HGAB Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccc(F)cc3)N3CCCC3)cc2c1 907662 QCYONIKXGLCGJD-OAQYLSRUSA-N 418.476 3.196 0 40 HGAB COc1ccccc1-c1nc2s/c(=C\c3cccc(Br)c3)c(=O)n2n1 2361787 RBGCHFPCFUZISO-GDNBJRDFSA-N 414.284 3.137 0 40 HGAB CCOC(=O)c1ccc(C(=O)c2ccc(CN3CCC4(CC3)OCCO4)cc2)cc1 2514725 NBWBPKZCTPCXPR-UHFFFAOYSA-N 409.482 3.433 0 40 HGAB CCSc1nnc(NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)c2ccco2)s1 2624448 QBGVPYUGNGPTQZ-AWEZNQCLSA-N 414.512 3.449 0 40 HGAB COc1ccc([C@@H](O)C[C@H]2c3c(cc4c(c3OC)OCO4)CCN2C)c(OC)c1 4029310 YLFOXWHTQSYROJ-IRXDYDNUSA-N 401.459 3.094 0 40 HGAB biogenic COc1ccc2c(c1OC)C(=O)N1[C@H]2SC(C)(C)[C@H]1C(=O)NCc1ccccc1 4081967 HPJWTSVODTZURB-NQIIRXRSSA-N 412.511 3.369 0 40 HGAB biogenic CC(C)(C)CC(=O)N1CCN2C(=O)c3cc(-c4ccsc4)ccc3NC(=O)[C@H]2C1 4235853 SYYDERQRWPNDQB-GOSISDBHSA-N 411.527 3.456 0 40 HGAB biogenic,in-vitro CCOC(=O)N1CCc2c(sc3c2C(O)=N[C@H](c2ccc(OC)c(O)c2)N3)C1 4554830 IZPNXVLARCPZKL-INIZCTEOSA-N 403.460 3.406 0 40 HGAB CCOc1c(I)cc(C=O)cc1I 4619916 IMKCHXBRSBJZLV-UHFFFAOYSA-N 401.969 3.107 0 40 HGAB CNC(=O)N(O)[C@@H]1N(NC(=O)Nc2cccc3ccccc23)C(=S)SC1(C)C 4732490 UZCGTEYJNIWDGR-AWEZNQCLSA-N 419.532 3.345 0 40 HGAB Cc1cc(C(=O)CN2C(=O)C(=O)N(C3CCCC3)C2=O)c(C)n1CCc1ccccc1 5628629 MUDIBLORKOHCNC-UHFFFAOYSA-N 421.497 3.264 0 40 HGAB COC(=O)c1ccc(C)c(NC(=O)COC(=O)c2ccc(Br)cc2)c1 5717323 LPJMAESTADTXCP-UHFFFAOYSA-N 406.232 3.340 0 40 HGAB O=C(Cc1ccccc1)NC(NC(=O)Cc1ccccc1)c1ccc2c(c1)OCO2 5899990 HIJGAVQPQLGGOE-UHFFFAOYSA-N 402.450 3.132 0 40 HGAB COc1cc2nc(CN(C)Cc3ccc(Br)cc3)[nH]c(=O)c2cc1OC 6505027 QUMFCIZWWMSUGU-UHFFFAOYSA-N 418.291 3.335 0 40 HGAB CC[C@H](C)c1ccccc1N1C[C@@H](C(=O)Nc2ccc(-n3cnnn3)cc2)CC1=O 6553466 CCNPOJSKXBOUBY-HOTGVXAUSA-N 404.474 3.167 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCN3C(=O)c4ccccc4[C@]32c2ccccc2)cc1 6668413 QGPJKPIVYJEECX-HSZRJFAPSA-N 404.491 3.356 0 40 HGAB O=C(NC1CCCCCCC1)c1cccc(NC2=N[C@@H]3CS(=O)(=O)C[C@@H]3S2)c1 6739091 WUZFJRFYCXKNEV-MSOLQXFVSA-N 421.588 3.210 0 40 HGAB CCc1nnc2n1N[C@@H](c1ccc(F)cc1)[C@@H](C(=O)Nc1ccc(OC)cc1)S2 6812115 QJBYIZVYJKBILX-ROUUACIJSA-N 413.478 3.386 0 40 HGAB COC(=O)c1c(NC(=O)CSc2nnc(C3CC3)n2C)sc2c1CCCC2 7235253 HFGKTYFUODFKOY-UHFFFAOYSA-N 406.533 3.150 0 40 HGAB COc1cc(OC)c(OC)cc1CNC(=O)C[C@@H]1c2ccccc2C=CN1C(C)=O 7437020 IVHIRCOXDMSIKA-LJQANCHMSA-N 410.470 3.293 0 40 HGAB O=C(CCCc1cccs1)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 8380903 XIXQTVNYEQHHRN-GZTJUZNOSA-N 404.557 3.216 0 40 HGAB Cc1ccc(S(=O)(=O)[C@@H](CCC(=O)c2ccc(Br)cc2)C(N)=O)cc1 8762130 KHYSSQPPDCCGSF-KRWDZBQOSA-N 424.316 3.048 0 40 HGAB O=c1c2ncccc2n(Cc2ccc(C(F)(F)F)cc2)c(=O)n1Cc1ccccn1 9001165 RPVPUXMLWKYQEF-UHFFFAOYSA-N 412.371 3.069 0 40 HGAB CCOc1ccc(N2C[C@H](CNC(=O)Nc3cc(OC)cc(OC)c3)CC2=O)cc1 9039693 VZPJNAYDGCYOAD-HNNXBMFYSA-N 413.474 3.277 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc4[nH]ccc4c3)C2)cc1 9184424 SMFVQUCWEKCGMS-MRXNPFEDSA-N 413.499 3.216 0 40 HGAB COc1ccccc1-c1nnc(SCC(=O)Nc2ccccc2C(=O)NC2CC2)o1 9497753 YVQFZQYVFCXKNR-UHFFFAOYSA-N 424.482 3.368 0 40 HGAB Cn1c(SCC(=O)Nc2cc(Cl)ccc2-n2cncn2)nnc1-c1ccco1 9514785 MZEPYRJAITZVFL-UHFFFAOYSA-N 415.866 3.040 0 40 HGAB CCOC(=O)c1c(C)n(C)c2ccc(OC[C@H](O)CN3CCc4ccccc4C3)cc12 9970620 TUPOTXLSGDRCON-HXUWFJFHSA-N 422.525 3.461 0 40 HGAB Cc1ccc(NC(=O)COC(=O)CSCC(=O)Nc2ccccc2F)c(F)c1 10032936 LBLGHRHDUDTPSC-UHFFFAOYSA-N 408.426 3.127 0 40 HGAB COc1ccc(N([C@@H](C)C(=O)N2c3ccccc3C[C@H]2C)S(C)(=O)=O)cc1Cl 10449924 DYEFDCBAYYMXKD-KGLIPLIRSA-N 422.934 3.481 0 40 HGAB CCCNC(=O)[C@H](C)OC(=O)c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1 11371693 WOTHEEQLRQSWCB-LBPRGKRZSA-N 402.451 3.206 0 40 HGAB COc1ccc([C@@]2(C)NC(=O)N(Cc3cccc(Br)c3)C2=O)cc1OC 11590931 BPRXHYUEXIBLOY-LJQANCHMSA-N 419.275 3.434 0 40 HGAB CC1(C)Cc2nc(-c3cnccn3)ncc2[C@H](NC(=O)COc2cccc(F)c2)C1 12239050 YQOWOJZPPRXICQ-QGZVFWFLSA-N 407.449 3.281 0 40 HGAB COC(=O)C[C@@H](NC(=O)[C@H]1CC(=O)N(c2ccc(SC)cc2)C1)c1cccs1 12872062 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O=c1c2ccccc2n(Cc2ccccc2)c(=O)n1Cc1nc(-c2ccccc2)no1 20562642 PFZVTKWBGXZKIL-UHFFFAOYSA-N 410.433 3.310 0 40 HGAB Cc1c(CC(=O)N2CCN(C/C=C/c3ccccc3)CC2)c(=O)oc2cc(O)ccc12 20591803 DDFPBZZYPQTWHW-VMPITWQZSA-N 418.493 3.207 0 40 HGAB COc1ccc(NC(=O)c2ccc(CN3Cc4ccccc4C[C@H]3C(N)=O)cc2)cc1 22011400 LJVMRUXWZIMLIJ-QHCPKHFHSA-N 415.493 3.360 0 40 HGAB CCOc1ccc2c(c1)c(=O)c(C(=O)N1CCN(c3ccccc3F)CC1)cn2C 22237316 GUELPGHVMDXAJI-UHFFFAOYSA-N 409.461 3.039 0 40 HGAB CCc1cccc2c(C(=O)CN3CCN(Cc4ccc5c(c4)OCO5)CC3)c[nH]c12 22786166 LMCNKZDDNDLPBL-UHFFFAOYSA-N 405.498 3.460 0 40 HGAB COc1ccc(CN2CCN(CC(=O)c3cc(C)n(C4CC4)c3C)CC2)cc1OC 22793811 IFPMOKOWGQSMAG-UHFFFAOYSA-N 411.546 3.458 0 40 HGAB C[C@H](c1nc2ccccc2n1C(F)F)N1CCN(CC(=O)N2CCCCC2)CC1 23023151 GVGCEGBLSGHUKQ-MRXNPFEDSA-N 405.493 3.123 0 40 HGAB Cc1noc(C)c1COc1ccccc1C(=O)N(C)Cc1nc2ccsc2c(=O)[nH]1 23075010 LOIHWJHAARMANL-UHFFFAOYSA-N 424.482 3.441 0 40 HGAB Cc1ccc([C@@H](CNS(=O)(=O)c2cc(C)c(C)cc2C)N2CCOCC2)cc1 23107996 YMMJEUNFYQQRLO-OAQYLSRUSA-N 402.560 3.272 0 40 HGAB O=C([C@H]1CN(Cc2ccccc2Br)c2ccccc2O1)N1CCOCC1 29142121 KXOWKCGZXYMBFW-LJQANCHMSA-N 417.303 3.076 0 40 HGAB CC(C)c1ccc(-c2nc(C(=O)N3CCC[C@H](NS(C)(=O)=O)C3)cs2)cc1 29199990 KDHHDAUNQGMCRI-INIZCTEOSA-N 407.561 3.087 0 40 HGAB COc1ccc(OC)c(CN2CCN(C(=O)c3cc(-c4ccc(C)cc4)n[nH]3)CC2)c1 29985284 LPZAENBLYBODBN-UHFFFAOYSA-N 420.513 3.360 0 40 HGAB COc1ccc(OC)c(NC(=O)[C@@H]2CC(=O)Nc3c(-c4ccc(F)cc4)cnn32)c1 32090536 OWLJLWRSRRCIHY-KRWDZBQOSA-N 410.405 3.228 0 40 HGAB COc1ccc(CCN(C)S(=O)(=O)c2cccc(OC(F)(F)F)c2)cc1OC 32909058 SGABPILOEKBJAF-UHFFFAOYSA-N 419.421 3.466 0 40 HGAB Cc1cccc(N2CCN(C(=O)CCn3nc(-c4ccccc4)ccc3=O)CC2)c1C 41251796 NSBFDDVHPQLIPF-UHFFFAOYSA-N 416.525 3.266 0 40 HGAB Cc1cccc2sc(OC3CCN(C(=O)CNC(=O)c4ccccc4)CC3)nc12 49431371 LVTLZGQVSPAUIV-UHFFFAOYSA-N 409.511 3.405 0 40 HGAB COc1ccc(CNC(=O)c2cc(F)ccc2NC(=O)N2CCCC2)cc1OC 49544990 AHVJGLJCUZOFEF-UHFFFAOYSA-N 401.438 3.401 0 40 HGAB CCc1ccc(OCC(=O)Nc2cc(Cl)ccc2OCCS(C)(=O)=O)cc1 72303738 HEASBTBOCVWTNV-UHFFFAOYSA-N 411.907 3.343 0 40 HGAB Cc1cc(Cc2ccccc2)cc([C@@H]2CCCN(C(=O)c3ccc(=O)n(C)n3)C2)n1 72354124 CMLYLBLEARGVED-HXUWFJFHSA-N 402.498 3.094 0 40 HGAB COc1ccc(C(=O)CCC(=O)N2CCC[C@@H](c3nn(C)c4nccnc34)C2)c(C)c1 72393913 PHBVPONKMPTDEL-MRXNPFEDSA-N 421.501 3.049 0 40 HGAB C[C@@](O)(CNC(=O)Cn1c(=O)oc2ccccc21)c1ccc(-c2ccccc2)cc1 77184187 ZYSYCMIKIWCORY-XMMPIXPASA-N 402.450 3.285 0 40 HGAB O=C(C[C@H]1COCCN1c1ncnc2c1cnn2-c1ccccc1)c1cccs1 95467658 CGOJDOYBEXCKCP-INIZCTEOSA-N 405.483 3.355 0 40 HGAB O=C(O)CCCCCNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 95970350 JRMJAUJKAGYSGP-UHFFFAOYSA-N 408.451 3.001 0 40 HGAB COc1cccc(NC(=O)N2CCc3nc(C(=O)N4CCCCC4)sc3CC2)c1 96147004 IPTDBGVBUCEYTO-UHFFFAOYSA-N 414.531 3.411 0 40 HGAB CN1CCN(C(=O)c2cc(-c3ccn(-c4ccc(F)cc4)n3)n3ccccc23)CC1 96266732 UEDQDROPCVUSLN-UHFFFAOYSA-N 403.461 3.319 0 40 HGAB O=C(NCc1ccccc1)[C@@H]1C[C@@H](C(=O)NCc2ccccc2)N1Cc1ccccc1 98095609 ZDKQZLBPKVUZJV-ZEQRLZLVSA-N 413.521 3.262 0 40 HGAB 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HGAB CSc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccc(OC(C)C)cc2)cc1 225326965 UFLTWMKOZQOKEV-UHFFFAOYSA-N 422.572 3.133 0 40 HGAB COC(=O)c1cccc(NC(=S)NCc2ccc(OC)c(OC)c2OC)c1C 225526261 VYSUQUIIAQRRIN-UHFFFAOYSA-N 404.488 3.294 0 40 HGAB CC(C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CCc1ccc2c(c1)OCCO2 225697432 GLTMOQFQZQRWDX-LJQANCHMSA-N 424.541 3.375 0 40 HGAB Cc1ccc2c(c1)[C@H](NC(=O)CN(Cc1ccccc1)S(C)(=O)=O)CC(C)(C)O2 225697470 RQHAYZPTFXTLKC-LJQANCHMSA-N 416.543 3.175 0 40 HGAB CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)NC[C@@H](O)c1ccc(C(F)(F)F)cc1)C(=O)C2 227663373 LGRUIIKWNKKPMZ-HDMKZQKVSA-N 419.465 3.054 0 40 HGAB COc1ccc(C(=O)N2CCC[C@@](COc3ccc(F)cc3)(CC(N)=O)C2)cc1 257229465 FYFWHUFWGCYEFZ-JOCHJYFZSA-N 400.450 3.011 0 40 HGAB Cc1cc(-c2cncnc2)cc([C@H]2CN(C(=O)CCCN3CCCCCC3)CCO2)n1 257318676 VOYZENUYENJXKW-HSZRJFAPSA-N 423.561 3.403 0 40 HGAB CC(C)n1cnc([C@H]2CN(Cc3ccoc3)C[C@@]23CCN(Cc2cccnc2)C3=O)c1 306139497 SYUOOOSTIYWNKI-QPPBQGQZSA-N 419.529 3.470 0 40 HGAB CS(=O)(=O)Nc1ccccc1C(=O)Nc1ccccc1C(=O)N1CCCCCC1 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HGAB COc1cccc(N(CC(=O)N2CCCCC2)S(=O)(=O)c2ccc(C)cc2)c1 786556 DHQHYROIWXTFTR-UHFFFAOYSA-N 402.516 3.211 0 40 HGAB CCOC(=O)c1ccc(N[C@@H]2SC(=O)N(Cc3cccc(C(=O)O)c3)C2=O)cc1 1248454 QNHAAQLRLRPPBH-MRXNPFEDSA-N 414.439 3.195 0 40 HGAB COC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)N2C2CC2)cc1 1443727 XWRQKQSXBQXPLO-LJQANCHMSA-N 421.453 3.110 0 40 HGAB COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=C3S[C@@H](C)C(=O)N32)cc1OC 2253401 RDGYCALCPGBODJ-YVEFUNNKSA-N 404.488 3.304 0 40 HGAB COc1ccc(C(=O)Nc2c3c(nn2-c2ccc(F)cc2)C[S@](=O)C3)c(OC)c1 2725127 WLCCDJDTESCPSE-LJAQVGFWSA-N 415.446 3.043 0 40 HGAB CCCn1c(=O)c2ccccc2n2c(SCC(=O)c3cc(C)n(C)c3C)nnc12 3444534 RIKVHFNLUMNINL-UHFFFAOYSA-N 409.515 3.385 0 40 HGAB CCSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1C1CCCC1 3542476 VBOJIVMHEPUPJH-UHFFFAOYSA-N 422.576 3.193 0 40 HGAB COC(=O)c1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nncs2)cc1 3655702 RPBAJDSGONSMDP-MRXNPFEDSA-N 419.418 3.181 0 40 HGAB COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NCc2ccco2)cc1OC 4893751 FWTJLUYETQCYJV-UYRXBGFRSA-N 406.438 3.384 0 40 HGAB CC[C@@H](NC(=O)COc1ccc(-n2cnnn2)cc1)c1ccc(Br)cc1 6610132 LLBCNFQDEGNCFZ-QGZVFWFLSA-N 416.279 3.071 0 40 HGAB CC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(C(F)(F)F)cc2)cc1 6905893 GBLCDPHMPSVDFE-UHFFFAOYSA-N 414.405 3.167 0 40 HGAB O=C(CCc1nc(-c2ccccc2)no1)N1CCC(C(=O)N2CCCCCC2)CC1 6987499 FBBYNXWPFWMROC-UHFFFAOYSA-N 410.518 3.310 0 40 HGAB COc1ccccc1CCC(=O)OCC(=O)Nc1cc(Cl)ccc1-n1cncn1 7429259 BDEAVMNEFPOXFB-UHFFFAOYSA-N 414.849 3.044 0 40 HGAB C[C@@H](C1CC1)N(CC(F)(F)F)C(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 7718959 LSVORNKZNXVQQB-ZDUSSCGKSA-N 404.454 3.274 0 40 HGAB CN1CCN(C(=S)c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)CC1 8091798 DUNLGXAKTZKODJ-UHFFFAOYSA-N 403.935 3.280 0 40 HGAB O=C(c1cc2ccccc2o1)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 8753287 GDHGNOBGXFFVIQ-UHFFFAOYSA-N 404.875 3.233 0 40 HGAB CCCCN1C(=O)CCc2cc(NS(=O)(=O)c3ccc4c(c3)OCCO4)ccc21 8840741 RQCXDDSLHZCMNA-UHFFFAOYSA-N 416.499 3.338 0 40 HGAB Cc1cc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)Nc3ccc(Cl)c(Cl)c3)[C@@H]4C2=O)no1 9306355 NYEDVTVEGVOBGG-PSFFPDNBSA-N 420.252 3.215 0 40 HGAB COc1ccc([C@H](CNC(=O)N2CCN(c3ccccc3)CC2)N2CCCC2)cc1 9595920 QYJAFNOTEHYFIJ-QHCPKHFHSA-N 408.546 3.364 0 40 HGAB CC(=O)Nc1ccc(NC(=O)CSc2nnc3n2CCN3c2ccc(C)cc2)cc1 9651607 DBAGCFUVPYXKGK-UHFFFAOYSA-N 422.514 3.427 0 40 HGAB COc1cc(NC(=O)[C@@H](C)NC(=O)c2ccc(Cl)cc2)ccc1N1CCCC1=O 11445927 WGHYNJGYGJMNCE-CYBMUJFWSA-N 415.877 3.232 0 40 HGAB NC(=O)c1nc(-c2ccc(Cl)cc2Cl)nc2c1[nH]c(=O)n2-c1ccc(F)cc1 12080834 IAKPLANTUUOTQH-UHFFFAOYSA-N 418.215 3.321 0 40 HGAB Cc1ccc(C(=O)N(Cc2ccc(Br)o2)[C@H]2CCS(=O)(=O)C2)cc1 12111585 AQGLTSIMIMZDCS-AWEZNQCLSA-N 412.305 3.180 0 40 HGAB CC(C)[C@@H](CO)NC(=O)C1(Cc2cc(-c3ccc(F)cc3F)no2)CCOCC1 12220106 DCBCUKZQRPENFM-LJQANCHMSA-N 408.445 3.092 0 40 HGAB CNS(=O)(=O)c1cc(C(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)cc(C)c1C 12611917 KSQINMONGHEBKA-GOSISDBHSA-N 412.515 3.065 0 40 HGAB O=C(/C=C/c1ccsc1)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 12815909 PQONJVURUCJTDS-DAFODLJHSA-N 414.911 3.087 0 40 HGAB O=S(=O)(NCc1ccccc1CN1CCOCC1)c1cccc(Cl)c1Cl 12897885 VOJVZFUCWMSVTD-UHFFFAOYSA-N 415.342 3.304 0 40 HGAB CCn1c(SCc2noc(-c3ccc(Cl)cc3)n2)nnc1N1CCOCC1 12915440 DZKKMOSLPYKSDW-UHFFFAOYSA-N 406.899 3.130 0 40 HGAB Cc1ccc(NC(=O)[C@@H](NCc2ccc(S(N)(=O)=O)cc2)c2ccccc2)cc1 13113104 KAPOQNODNUWZEN-NRFANRHFSA-N 409.511 3.112 0 40 HGAB CC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)c2nc(-c3ccccc3Cl)no2)cc1 13494835 GPMDWTRLAJICET-LLVKDONJSA-N 420.878 3.388 0 40 HGAB COCCN(Cc1cc2cccc(C)c2[nH]c1=O)S(=O)(=O)c1ccc(Cl)cc1 13555800 ZQAQURNNZPNPNK-UHFFFAOYSA-N 420.918 3.327 0 40 HGAB Cc1cccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)c1C 13856516 HLGQBWWGCGMNKM-HNNXBMFYSA-N 400.862 3.492 0 40 HGAB COC(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)cc1 15420049 WSYFJZWAZQZMPR-UHFFFAOYSA-N 422.890 3.163 0 40 HGAB COc1cc(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc(Cl)c1OC 17303068 GUGHKDICZKEQQD-UHFFFAOYSA-N 401.850 3.407 0 40 HGAB Cc1ccc(-c2cccc(C[C@@]3(C(=O)N(C)C)CN(C(=O)C4CC4)CCO3)c2)cc1 19212638 FLWMEWLHRLKEIX-VWLOTQADSA-N 406.526 3.300 0 40 HGAB COc1ccc(C2=NO[C@](C)(C(=O)N[C@@H](c3ccc(F)cc3)c3nccn3C)C2)cc1 19460851 QCTPUKWTISZPHF-REWPJTCUSA-N 422.460 3.357 0 40 HGAB CCc1cc(C(F)(F)F)n2ncc(C(=O)N3CCC(Oc4cccnc4)CC3)c2n1 19522183 DCZNNPJSJVOCSP-UHFFFAOYSA-N 419.407 3.389 0 40 HGAB Cc1cc(-c2cncnc2-c2ccc(CNC(=O)c3c(C)cc(C)[nH]c3=O)cc2)on1 19566682 QELPJHKPUSAXMD-UHFFFAOYSA-N 415.453 3.342 0 40 HGAB CC(C)(C)c1csc(CCNC(=O)CN2C(=O)COc3c(Cl)cccc32)n1 19661100 FUDIWFQLAQIUQJ-UHFFFAOYSA-N 407.923 3.178 0 40 HGAB CN1CCC(C(=O)N2CCC[C@H]2c2cc(CCOc3ccccc3F)[nH]n2)CC1 19703772 SJTMLORITBZBBG-FQEVSTJZSA-N 400.498 3.176 0 40 HGAB O=S(=O)(c1ccc(F)cc1)N1CCN(Cc2ccccc2Br)CC1 19889742 DOHYVNTXCPFLHK-UHFFFAOYSA-N 413.312 3.095 0 40 HGAB CCCCNS(=O)(=O)c1ccc(OCC(=O)N[C@H]2CCCc3ccccc32)cc1 20020835 YGJURVYDOWVYAQ-NRFANRHFSA-N 416.543 3.338 0 40 HGAB CC(C)Oc1ccc(CNC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)cc1 20108706 YKZGWTPFWGGREL-UHFFFAOYSA-N 410.923 3.210 0 40 HGAB C[C@H](CO)Nc1ncnc2c1sc1nc(N3CCCC3)c3c(c12)CC(C)(C)OC3 20438870 QNMDDUDIEOIOIJ-GFCCVEGCSA-N 413.547 3.484 0 40 HGAB Cc1ccc([C@H](C)NC(=O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1C 22773032 COSAHPCNKIWEGY-IBGZPJMESA-N 409.530 3.027 0 40 HGAB COc1ccc(CN2CCN([C@@H](C)C(=O)N(C)Cc3cccc(F)c3)CC2)cc1F 22787037 RSPKLBBPOPITMN-KRWDZBQOSA-N 417.500 3.138 0 40 HGAB CCc1ccc(-c2noc(CN3CCN(CC(=O)Nc4cccc(F)c4)CC3)n2)cc1 22802781 ZIKHSPCKQKYREW-UHFFFAOYSA-N 423.492 3.194 0 40 HGAB CC(=O)c1sc(NC(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)nc1-c1ccccc1 23682898 IYEBNRBUZOAUBQ-YJYMSZOUSA-N 401.513 3.405 0 40 HGAB NC(=O)N[C@@H](CC(=O)N1CCC[C@@H](C(F)(F)F)C1)c1ccc(Br)cc1 24438668 XYKOGBPKWIGOQG-YPMHNXCESA-N 422.245 3.350 0 40 HGAB Cc1c(C(=O)NCC2(N3CCOCC3)CCCCC2)[nH]c2c1C(=O)CC(C)(C)C2 24752433 FVCVQJSVZCDMLK-UHFFFAOYSA-N 401.551 3.243 0 40 HGAB O=C(/C=C/c1ccc(N2CCCC2=O)cc1)NCCNC(=O)c1ccc(Cl)cc1 27621744 KGPVYZRBOKSJGF-LFYBBSHMSA-N 411.889 3.026 0 40 HGAB CN(C)C(=O)[C@@H]1CN(Cc2cc(Cl)c3c(c2)OCCCO3)c2ccccc2O1 29146573 AERAMPDOICPTBT-IBGZPJMESA-N 402.878 3.357 0 40 HGAB COc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)cc1Cl 31491015 UYEVMJZJDSEZEQ-CQSZACIVSA-N 408.907 3.388 0 40 HGAB CC(=O)Nc1ccc(NC(=O)[C@@H]2CCCN(c3ccc4nnc(C(C)C)n4n3)C2)cc1 32104950 ULBMYMOGOYOENG-MRXNPFEDSA-N 421.505 3.061 0 40 HGAB CCS(=O)(=O)c1ccc(NC(=O)[C@H](NC(=O)c2ccccc2C)C(C)C)cc1 32618846 HRQHYNKCKQVKFM-LJQANCHMSA-N 402.516 3.182 0 40 HGAB CC(C)c1ccc(C(=O)N2CCN(C[C@H](O)COc3ccccc3F)CC2)cc1 32772174 QVUOYICDZCANMG-FQEVSTJZSA-N 400.494 3.147 0 40 HGAB O=C(CCc1ccccc1)NC1CCN(C(=O)c2ccc(C(F)(F)F)nc2)CC1 32924966 KKCGIXQLVXSPMS-UHFFFAOYSA-N 405.420 3.454 0 40 HGAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(-c4ccccc4C#N)o3)C2=O)o1 33583625 XWAIJJCQUBEQQU-YVLHZVERSA-N 417.377 3.291 0 40 HGAB Cc1ccc(C(=O)[C@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]3[C@H]3CCCN32)cc1 35361705 MQFONYWUEWYXHW-YSTOQKLRSA-N 408.885 3.484 0 40 HGAB CC(=O)N1c2ccccc2N=C(c2c(O)[nH]c(=O)sc2=O)C[C@H]1c1ccc(C)o1 35622687 FMEHZMQZCDMMHU-HNNXBMFYSA-N 411.439 3.022 0 40 HGAB Cc1ccc(-c2nn3c(c2C)NC(=O)C[C@@H]3C(=O)Nc2cccc(C(=O)O)c2)cc1 35684473 ONZCJCBQGGBLPR-QGZVFWFLSA-N 404.426 3.387 0 40 HGAB NC(=O)c1cc(Cc2ccccc2)sc1NC(=O)[C@@H]1[C@@H]2C=C[C@@H](CC2)[C@@H]1C(=O)O 35897707 DIBMWTRICLPVDY-NONVJHHQSA-N 410.495 3.289 0 40 HGAB COc1cccc(-c2cc(C(=O)NC[C@H](C)Cn3cccn3)c3c(C)nn(C)c3n2)c1 36616006 MTMNPAPXPYDEKA-HNNXBMFYSA-N 418.501 3.215 0 40 HGAB CCOC(=O)c1ccoc1CNc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1 40040199 WKWMKRPVCMSPPD-OAHLLOKOSA-N 406.504 3.489 0 40 HGAB CN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccccn2)[C@H]1c1ccc2c(c1)OCO2 40287869 OQXYGVYABBJMAR-LEWJYISDSA-N 401.422 3.360 0 40 HGAB CCc1ccc(NC(=O)Cn2ccn3nc(-c4ccc5c(c4)OCO5)cc3c2=O)cc1 46005211 RFYKMFWKMTYXIO-UHFFFAOYSA-N 416.437 3.093 0 40 HGAB CCCn1c(SCC(=O)Nc2ccc3c(c2)OCO3)nc2ccsc2c1=O 57478513 FFIMEIZXHZEPEM-UHFFFAOYSA-N 403.485 3.328 0 40 HGAB CC(=O)N1CCC(C(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)CC1 58159586 TXHZKJJGVKMMOX-UHFFFAOYSA-N 420.557 3.206 0 40 HGAB O=C(c1ccc2c(c1)SC1=NS(=O)(=O)CCN12)N1CCC[C@H]2CCCC[C@@H]21 58405234 WZXODRMQZLJPJA-HIFRSBDPSA-N 405.545 3.093 0 40 HGAB Cc1ccccc1OC[C@H](C)NC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1 65722140 UYAJGVDMCXLSIL-INIZCTEOSA-N 422.572 3.041 0 40 HGAB O=C(Nc1ccc([C@H]2OCC(=O)N(Cc3ccc(F)cc3)[C@@H]2CO)cc1)C1CCC1 72321423 VBIKYRADFQLKRT-IFMALSPDSA-N 412.461 3.025 0 40 HGAB biogenic,in-vitro COc1ccc(CC(=O)N2CCCC[C@H]2c2cc(C(=O)NC3CCCC3)[nH]n2)cc1 72380691 QDENDQNFOMVYBD-NRFANRHFSA-N 410.518 3.387 0 40 HGAB Cn1ncc(CNC(=O)c2cc(F)ccc2F)c1NC(=O)c1cc(F)ccc1F 78976065 KQFJCMXOSQMPNZ-UHFFFAOYSA-N 406.339 3.159 0 40 HGAB O=S(=O)(NC[C@](O)(c1cccs1)C1CC1)c1ccccc1Br 90584393 TWYMXIAMWAJURF-OAHLLOKOSA-N 402.335 3.087 0 40 HGAB O=C(NCC1CCN(C(=O)c2ccccc2Br)CC1)c1ccccn1 95430240 PDSVLYMZKAYWRP-UHFFFAOYSA-N 402.292 3.126 0 40 HGAB CN1CC(=O)N(c2ccccc2)C[C@]12CCN(C(=O)c1ccc(C(F)(F)F)cc1)C2 96050240 ALELOEWSBDQFCB-OAQYLSRUSA-N 417.431 3.269 0 40 HGAB COc1ccc(CNC(=O)NCCn2nc(C(F)(F)F)cc2C2CC2)cc1OC 96103784 XETZHDVBDSCGTO-UHFFFAOYSA-N 412.412 3.296 0 40 HGAB CO[C@H]1CCN(C(=O)CCc2cccc(F)c2F)[C@@H](CNC(=O)OC(C)(C)C)C1 97081515 KFQGCDMLBNEAOC-CVEARBPZSA-N 412.477 3.428 0 40 HGAB COC(=O)[C@]1(Cc2ccc(OC)cc2)C(=O)C[C@H]2CC[C@H]1N2Cc1cccc(OC)c1 100186362 XAAJGQSXNFAOIO-QNIAMRLHSA-N 423.509 3.412 0 40 HGAB CSc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H]3C[C@@H]4CC[C@@H]3C4)CC2)cc1 100443129 CRDJUNBIVMWBBZ-OGWOLHLISA-N 408.589 3.114 0 40 HGAB NS(=O)(=O)c1ccc(CNC(=O)C23C[C@H]4C[C@H](C2)CC(c2ccccc2)(C4)C3)cc1 102215121 SUWKHTNPBTZKQJ-AYJAPBJVSA-N 424.566 3.488 0 40 HGAB CC(C)Cn1c(SCC(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)nc2ncccc2c1=O 109003055 HLXMVEOMXPHCIT-NBOOPKSLSA-N 414.575 3.481 0 40 HGAB COc1cc(CNC(=O)COc2ccc(Br)c(C)c2)cc(OC)c1OC 218827763 MFHCVIHRRRMXIE-UHFFFAOYSA-N 424.291 3.479 0 40 HGAB CCOC(=O)c1cccc(NC(=O)CCCN(C)S(=O)(=O)c2ccccc2)c1C 219722735 CRZYHMQSNWRARD-UHFFFAOYSA-N 418.515 3.211 0 40 HGAB O=C(O)c1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCCO)o2)cc1 223631606 MTXANBLRWVXZCW-WOJBJXKFSA-N 423.494 3.395 0 40 HGAB Cc1cccc(N([C@@H](C)C(=O)NCCOc2ccccc2C(C)C)S(C)(=O)=O)c1 223800422 JEATXJNEUYUEEV-SFHVURJKSA-N 418.559 3.468 0 40 HGAB O=C1CCC(=O)N1c1ccc(S(=O)(=O)Nc2ccc(Cc3ccncc3)cc2)cc1 225090471 NDAOAYGVGAOFDI-UHFFFAOYSA-N 421.478 3.127 0 40 HGAB CC[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1)c1ccccc1 225497160 KWNDJVNLIINBGL-NRFANRHFSA-N 416.543 3.363 0 40 HGAB COC(=O)c1ccc(OC)c(NS(=O)(=O)c2cc3c(cc2OC)CCCC3)c1 225822570 CVFRQIFTHVIWSR-UHFFFAOYSA-N 405.472 3.170 0 40 HGAB COCCNC(=S)Nc1nc(N2CCCCCC2)cc(N2C[C@H](C)C[C@@H](C)C2)n1 225898723 AFDJPBFFMZICCK-IAGOWNOFSA-N 420.627 3.272 0 40 HGAB Cc1ccc(C)c(S(=O)(=O)N2CCC(C(=O)N3CCOc4ccccc43)CC2)c1 225924560 KLPMWVMKEMKUFX-UHFFFAOYSA-N 414.527 3.130 0 40 HGAB O=C1c2cccn2[C@@H]2CN(Cc3ccc4c(c3)OCO4)C[C@@H]2N1Cc1ccccc1 306140284 UOWICAOSLDFADU-RTWAWAEBSA-N 401.466 3.298 0 40 HGAB OCc1ccccc1CN(Cc1ccnc(N2CCOCC2)n1)c1ccc(F)cc1 585172779 SYHUEGDDBOANSY-UHFFFAOYSA-N 408.477 3.151 0 40 HGAB O=C1COC[C@]2(CN(Cc3ccc(F)cc3Cl)CCO2)CN1c1ccccc1 2037983714 CZNVIBCVGAFIGH-NRFANRHFSA-N 404.869 3.114 0 40 HGAB O=C1NCCOCCCCN(Cc2ccc(F)c(F)c2)CCOc2ccccc21 2037988617 ATLJVWQUIYKTFA-UHFFFAOYSA-N 404.457 3.386 0 40 HGAB Brc1ccc(N2C[C@H]3CN(CCc4ccc5c(c4)CCO5)C[C@@H]3C2)nc1 2298217763 NVZRPRCBMDONIP-QZTJIDSGSA-N 414.347 3.390 0 40 HGAB CC(=O)c1ccc(NS(=O)(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1 826183 SPZUQEVQBYHEFS-UHFFFAOYSA-N 420.446 3.491 0 40 HGAB CCOc1ccc([C@H]2C(C(=O)OC)=C(C)N=C3SCCC(=O)N32)cc1OCC 2486979 LMWGTQIBJBDMGN-SFHVURJKSA-N 404.488 3.307 0 40 HGAB CCN(CC)C(=O)c1sc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)O)c(C(=O)OC)c1C 2767191 HRCJAIVIUFVPCU-STQMWFEESA-N 424.519 3.155 0 40 HGAB COc1ccc(CCNC(=O)c2cccc(CN3C(=O)c4ccccc4C3=O)c2)cc1 3446243 TWFAFLLFVQQWFC-UHFFFAOYSA-N 414.461 3.464 0 40 HGAB CC(C)Oc1ccc(COC[C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@H]32)cc1 4029546 OILBOKGOPKPAQB-LCWAXJCOSA-N 408.491 3.387 0 40 HGAB biogenic COc1cc2c(c(OC)c1OC)-c1ccc(NC3CC3)c(=O)cc1[C@@H](NC(C)=O)CC2 4064487 ZZFMVNGGSHNZEX-SFHVURJKSA-N 424.497 3.437 0 40 HGAB biogenic CCCOc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OCCOC(C)C)cc1OC 4113735 SSGDWFSNUXAYIC-IBGZPJMESA-N 406.479 3.080 0 40 HGAB CCOC(=O)N1CCc2c(sc(NC(=O)c3ccc(OC)cc3)c2C(=O)OC)C1 4274517 NYJYKAKGUIJXQA-UHFFFAOYSA-N 418.471 3.310 0 40 HGAB Cc1cccc(-c2nc3scc(CCNC(=O)C(=O)Nc4ccccc4)n3n2)c1 4374874 XYPPFVVQYFQDKS-UHFFFAOYSA-N 405.483 3.064 0 40 HGAB COc1ccc([C@H](OCC(=O)O)c2nccc3cc(OC)c(OC)cc23)cc1OC 4710412 IUOYSTUUNZSRJH-QFIPXVFZSA-N 413.426 3.460 0 40 HGAB COc1ccc(N2C[C@@H](C(=O)Nc3ccccc3C(=O)NC(C)(C)C)CC2=O)cc1 4731962 BAKKKYALCPHBFR-HNNXBMFYSA-N 409.486 3.215 0 40 HGAB COC[C@@H](C)OC(=O)c1c(N)n(Cc2ccc(OC)cc2)c2nc3ccccc3nc12 4909506 UUEKSQUCPALPSX-CQSZACIVSA-N 420.469 3.415 0 40 HGAB O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1F)NCc1ccco1 5847516 IRQIQAKJFCHXDC-UHFFFAOYSA-N 409.446 3.470 0 40 HGAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)OCC(=O)Nc1ccc(C(N)=O)cc1 6056898 VGKHRYFAHMOABE-SNVBAGLBSA-N 411.241 3.042 0 40 HGAB NC(=O)c1c(NC(=O)COC(=O)C23CC4CC(CC(C4)C2)C3)sc2c1CCC2 6063771 YLDRTQVHFSDYAO-UHFFFAOYSA-N 402.516 3.034 0 40 HGAB CN(CC(=O)Nc1nc(-c2ccccn2)cs1)S(=O)(=O)c1ccc(Cl)cc1 6346738 LYFBHDWAPCAEOZ-UHFFFAOYSA-N 422.919 3.118 0 40 HGAB CCCCn1c(=O)[nH]c(=O)c2c1nc(COC(=O)c1ccc(C)c(C)c1)n2CCC 6648034 KUZYCIPJZPYRDF-UHFFFAOYSA-N 412.490 3.070 0 40 HGAB CCCCNc1sc(S(C)(=O)=O)nc1S(=O)(=O)c1ccc(Cl)cc1 6751857 BKOBAILNNWVTFW-UHFFFAOYSA-N 408.954 3.245 0 40 HGAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)Sc1nnc(C[C@H]2CCS(=O)(=O)C2)o1 7046108 STQZKQPRMZKJNW-CHWSQXEVSA-N 419.528 3.200 0 40 HGAB COC(=O)c1cc(OC)c(OC)cc1NS(=O)(=O)c1ccc(OC)c(C(C)C)c1 7361074 AOHFODMPDVAPMR-UHFFFAOYSA-N 423.487 3.423 0 40 HGAB CN(C(=O)Cn1cnc2c(cnn2-c2ccccc2)c1=O)[C@@H]1CCCc2ccccc21 7426013 LIRUUJXPVWQTJN-OAQYLSRUSA-N 413.481 3.118 0 40 HGAB COc1ccccc1CNS(=O)(=O)c1ccc(C)c(C(=O)N2CCCCC2)c1 7604483 LXAZOHLBOJUXHG-UHFFFAOYSA-N 402.516 3.108 0 40 HGAB CCOC(=O)c1ccc2c(c1)nc(S[C@H](C)C(=O)NC[C@H]1CCCO1)n2CC 8394236 ACJOROOCLGTNDV-UKRRQHHQSA-N 405.520 3.009 0 40 HGAB O=C(Cc1csc(SCC(=O)Nc2ccc(F)cc2)n1)NCc1ccco1 8851913 QZWIHXIQYSKSBA-UHFFFAOYSA-N 405.476 3.465 0 40 HGAB CCN(c1ccccc1)S(=O)(=O)c1ccc(O[C@@H](C)C(=O)N2CCCC2)cc1 9376655 MDBMEMSDXAHEQW-KRWDZBQOSA-N 402.516 3.292 0 40 HGAB Cc1ccc(S(=O)(=O)N2c3ccc(C(=O)NC[C@@H]4CCCO4)cc3C[C@@H]2C)cc1 10326517 JEAWFUNEALEXSJ-LPHOPBHVSA-N 414.527 3.044 0 40 HGAB COc1ccccc1NC(=O)c1cc(N2C(=O)C(C)(C)CS2(=O)=O)ccc1Cl 12004188 FKKOVTRBQPRXCA-UHFFFAOYSA-N 422.890 3.304 0 40 HGAB COc1cc(C(=O)NCc2ccc(N3CCOCC3)nc2)cc(Cl)c1OC(C)C 12224003 VMIUQBKIXPMGPZ-UHFFFAOYSA-N 419.909 3.297 0 40 HGAB Cc1ccc(-n2c(SCc3ncc(Cl)n3C)nnc2N2CCOCC2)cc1 12553145 FAWOCKZVBWATFY-UHFFFAOYSA-N 404.927 3.092 0 40 HGAB CCN1CCC(NC(=O)c2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2)CC1 12560761 HUCLEMKDZRULOB-UHFFFAOYSA-N 415.559 3.318 0 40 HGAB O=C(COC(=O)Cn1cnc2ccccc21)NCCc1ccc(Cl)cc1Cl 12649572 VXVFPIZOBQPRRD-UHFFFAOYSA-N 406.269 3.245 0 40 HGAB Cc1cc(C(=O)NCc2ccc(Cn3cncn3)cc2)c2nc3n(c2n1)CCCCC3 12741066 LDHKMTBEDPJRRQ-UHFFFAOYSA-N 415.501 3.036 0 40 HGAB Cc1ccc(NC(=O)c2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)c(Cl)c1 12763483 RKGWBXNHZNNNBN-HNNXBMFYSA-N 408.907 3.358 0 40 HGAB COc1ccccc1NC(=O)c1ccc(NC(=O)c2cccc(-c3nnn[nH]3)c2)cc1 12813535 URXLVZRIJAKLCI-UHFFFAOYSA-N 414.425 3.380 0 40 HGAB O=C(Cn1c(=O)n(Cc2ccco2)c(=O)c2sccc21)Nc1cccc(Cl)c1 13532971 KEYXYBJSRYEJES-UHFFFAOYSA-N 415.858 3.158 0 40 HGAB NS(=O)(=O)c1ccc(NC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)cc1 14182171 JRHGUEXDUPGZFW-UHFFFAOYSA-N 405.863 3.214 0 40 HGAB O=c1c2ccc(Cl)cc2ncn1C[C@@H](O)COc1ccc(Br)cc1 14183559 MBZFNLCZRIVPNU-CYBMUJFWSA-N 409.667 3.252 0 40 HGAB O=C(CN1C(=O)[C@H]2CCCC[C@H]2C1=O)Nc1cc(Cl)ccc1N1CCCCC1 14912312 MVTATMKDPPDTQH-IYBDPMFKSA-N 403.910 3.444 0 40 HGAB Cc1cc(CN2CCN(S(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)CC2)no1 17284940 FNYHHEPOFAWMLP-UHFFFAOYSA-N 423.844 3.162 0 40 HGAB CCn1c(SCC(=O)Nc2c(C)nn(C)c2C)nnc1-c1ccccc1OC 17709078 PJCNXXICKLTOIK-UHFFFAOYSA-N 400.508 3.055 0 40 HGAB COc1ccc(N2C(=O)C[C@H](N3CCC(c4nc5ccccc5o4)CC3)C2=O)cc1 18265585 ZZGGXIUGBOZYOM-IBGZPJMESA-N 405.454 3.348 0 40 HGAB O=C(CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)Nc1c(-c2ccc(F)cc2)nc2sccn12 18705827 DPJGGKJTAULADW-GJZGRUSLSA-N 424.457 3.092 0 40 HGAB O=C(C1CC1)N1CCc2c(O)nc([C@H]3CCCCN3C(=O)C3CCCCC3)nc2C1 19014684 FCFBNSCBVWQFIC-LJQANCHMSA-N 412.534 3.111 0 40 HGAB O=C(C1CCC1)N1CCC[C@H](c2cc3nc4c(c(O)n3n2)CN(C2CCCC2)CC4)C1 19292127 UFVRTOSCHIVBKE-KRWDZBQOSA-N 423.561 3.242 0 40 HGAB CC(C)CCNC(=O)[C@H]1CN(Cc2ccccc2)C[C@@H]1c1ccnc(N2CCCC2)n1 19446950 AYVYPKLGBIFYDA-VXKWHMMOSA-N 421.589 3.455 0 40 HGAB CCc1c(C)sc2ncn(C3CCN(C(=O)CCn4nccc4C)CC3)c(=O)c12 19521829 UNOPFRMKTPJFDI-UHFFFAOYSA-N 413.547 3.088 0 40 HGAB Cc1nn(CC(=O)N2CCCC[C@H]2c2nc(-c3ccsc3)cc(=O)[nH]2)c(C)c1C 19556492 LDIUJASPIRNCFO-SFHVURJKSA-N 411.531 3.374 0 40 HGAB Cn1c(-c2ccc(F)cc2)cnc1NC(=O)CCS(=O)(=O)c1ccc(F)cc1 19661988 UYBNUNDUSKAVAA-UHFFFAOYSA-N 405.426 3.168 0 40 HGAB Cc1nc([C@@H]2CCCN(C(=O)C3CCN(C)CC3)C2)ncc1C(=O)Nc1ccccc1 19765849 FKZQXFWOFDYPDD-LJQANCHMSA-N 421.545 3.085 0 40 HGAB COc1ccccc1OCc1nn2c(COc3ccc4c(c3)OCO4)nnc2s1 20721584 HRHLEABZVONBJP-UHFFFAOYSA-N 412.427 3.081 0 40 HGAB CCCn1c(S[C@H](C)C(=O)NC[C@@H]2CCCO2)nc2sc3c(c2c1=O)CCC3 21357860 UQOZRCCWTLKLJN-OLZOCXBDSA-N 421.588 3.133 0 40 HGAB COc1cc(CNc2nnnn2C)cc(Br)c1OCc1ccccc1F 22112134 CBIQDNDWXAVVSP-UHFFFAOYSA-N 422.258 3.311 0 40 HGAB COc1cc(Br)c(S(=O)(=O)N2CCc3sccc3C2)cc1OC 22287403 BXHKHONSJSLZSN-UHFFFAOYSA-N 418.334 3.275 0 40 HGAB COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)COc1cc(C)ccc1C 22517051 TXDMCRYDQHYKFR-UHFFFAOYSA-N 406.504 3.016 0 40 HGAB Cc1c(O)ccc2c(CN3CCN(Cc4ccc5c(c4)CCO5)CC3)cc(=O)oc12 23303339 NAJJENDTPROECB-UHFFFAOYSA-N 406.482 3.060 0 40 HGAB COc1cc(C(=O)N[C@@H](CN2CCOCC2)c2ccccc2)cc(Cl)c1OC 24259137 AERQGILNIYEURP-SFHVURJKSA-N 404.894 3.161 0 40 HGAB O=C(CNC(=O)c1ccc(SCc2cn3ccccc3n2)cc1)NCc1ccco1 24486552 IUBNFVGMYPSWFX-UHFFFAOYSA-N 420.494 3.266 0 40 HGAB Cc1cc(C)c2c(C)c(C(=O)NCc3ccc(N4CCN(C)CC4)nc3)sc2n1 24844061 KIPHVPUDGGGNPO-UHFFFAOYSA-N 409.559 3.298 0 40 HGAB CCc1ccc(OC[C@@H](O)CN(c2nccs2)S(=O)(=O)c2ccccc2)cc1 28086425 NSEBNLIBZSBYCW-KRWDZBQOSA-N 418.540 3.341 0 40 HGAB O=C(c1ccc(F)cc1)N1CCC(C(=O)N2CCC[C@H]2c2nnc3ccccn23)CC1 29073002 LOJSEHRBMFRLBB-IBGZPJMESA-N 421.476 3.084 0 40 HGAB CN1C(=O)c2ccc(C(=O)NCc3ccccc3COc3ccccc3)cc2C1=O 30185122 MPBVUHATABRWMD-UHFFFAOYSA-N 400.434 3.421 0 40 HGAB CS(=O)(=O)Nc1cccc(NC(=O)C2(c3ccc4c(c3)OCCO4)CCCC2)c1 30231345 OIELQOMHJNACKL-UHFFFAOYSA-N 416.499 3.280 0 40 HGAB Cc1ccc(-n2cc3c(n2)NCCc2cnc(N4CCN(CC(C)C)CC4)nc2-3)cc1 32918694 HNNGKSXTUDPXFI-UHFFFAOYSA-N 417.561 3.384 0 40 HGAB CC(C)(C)OC(=O)NC1CCN(S(=O)(=O)c2ccccc2Br)CC1 32936910 NBBCUBNFRLELJC-UHFFFAOYSA-N 419.341 3.127 0 40 HGAB CCn1nccc1[C@H](C)NC(=O)c1cc(-c2ccc(OC)cc2)nc2c1cnn2C 36613519 MGTSMPYTCAFPGM-AWEZNQCLSA-N 404.474 3.351 0 40 HGAB O=C(Nc1nnc(CCOc2ccc(Cl)cc2)s1)c1cn2cccnc2n1 36752168 XDNUYEHHKIVQFY-UHFFFAOYSA-N 400.851 3.108 0 40 HGAB COc1ccc([C@@H](CC(=O)NCc2ccc(N3CCCCCC3)nc2)NC(C)=O)cc1 40122077 BMIROQDUQZCVPE-JOCHJYFZSA-N 424.545 3.354 0 40 HGAB Cc1nn(CC(=O)N[C@H](CC(=O)OC(C)C)c2ccccc2)c(C)c1Br 40152602 QDOWLTYFHFUGDH-MRXNPFEDSA-N 422.323 3.462 0 40 HGAB CCc1ccc(C(=O)N2CCN(C(=O)c3ccccc3N(C)C(=O)OC)CC2)cc1 48312288 CLEBSYFJJKMURE-UHFFFAOYSA-N 409.486 3.050 0 40 HGAB CC[C@]1(C)NC(=O)N(CC(=O)N[C@H](Cc2ccc(Cl)cc2)c2ccccc2)C1=O 48332373 JTMNSNAYUHHWKR-GCJKJVERSA-N 413.905 3.461 0 40 HGAB COc1ccc(C(=O)NC2CCN(C(=O)c3cc(-c4cccs4)n[nH]3)CC2)cc1 49406548 XSXIQRKAOYUNSS-UHFFFAOYSA-N 410.499 3.181 0 40 HGAB C[C@@H]1CN(C(=O)CN2C(=O)COc3ccc(Cl)cc32)C[C@H](c2ccccc2)O1 65514518 MYLUISHLWSRZMW-AUUYWEPGSA-N 400.862 3.054 0 40 HGAB CCN(CC)C1CCN(C(=O)c2cc(F)ccc2I)CC1 72280466 PYRYZCRQLJHWBW-UHFFFAOYSA-N 404.267 3.377 0 40 HGAB O=C(CN1CCC(COCc2ccc(F)cc2)CC1)Nc1ccc2c(c1)OCO2 77191533 KOVYMQVLNRSZNE-UHFFFAOYSA-N 400.450 3.422 0 40 HGAB CSc1nc(C)c(CCC(=O)NCCc2csc(-c3ccccc3)n2)c(=O)[nH]1 89499563 LDQSYOMXZJOFOV-UHFFFAOYSA-N 414.556 3.215 0 40 HGAB CCS(=O)(=O)N1CCCc2cc(NC(=O)c3cncc(Br)c3)ccc21 96098389 SKSNCUHPOIPWNP-UHFFFAOYSA-N 424.320 3.199 0 40 HGAB CSCC[C@H](NC(=O)c1cccc(Nc2ncccn2)c1)c1nnc2ccccn12 96116925 KBHJTWHMSWXMLH-KRWDZBQOSA-N 419.514 3.487 0 40 HGAB CCOC(=O)[C@H]1[C@H]2NC(=S)N(Cc3ccc(OC)cc3)[C@@]1(C)Oc1ccccc12 100030001 GRTUZAFHIUONIW-DXIQSLLYSA-N 412.511 3.415 0 40 HGAB CN(Cc1ccccc1)Cc1c(O)occ(CN2CCN(c3ccccc3)CC2)c1=O 101374413 SOJWFFAUPXGXRB-UHFFFAOYSA-N 419.525 3.300 0 40 HGAB O=C1C(=O)N(c2cccc(C(F)(F)F)c2)C(=O)C(=O)C1c1nc2ccccc2s1 102934203 JVKDNDNHACUQKN-UHFFFAOYSA-N 418.352 3.110 0 40 HGAB Cc1ccc([C@H](OC[C@H](O)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c2ccccc2)cc1 108962372 PROMCBIJMAITKX-WZYRSQIMSA-N 405.494 3.413 0 40 HGAB C[C@]12CC[C@@](O)(CN3CC3)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(O)CN1CC1 118924109 KDZDNXAVYMXPKT-KFGZADJESA-N 402.623 3.123 0 40 HGAB CC(C)Oc1ccc(NC(=O)[C@]23C[C@@H]2CN(Cc2ccccc2)S3(=O)=O)cc1 225947994 VGDABPJMCMAKJZ-UTKZUKDTSA-N 400.500 3.017 0 40 HGAB COc1ccc([C@@H](CC(=O)N[C@H](C)c2ccc(Cl)cc2)NS(C)(=O)=O)cc1 225954209 NRHGYKFWSBQGAZ-FZKQIMNGSA-N 410.923 3.206 0 40 HGAB CN1CCN(C[C@@H](O)COCCOc2ccc(C(C)(C)CC(C)(C)C)cc2)CC1 226069738 XDQAOYDICZGYIY-OAQYLSRUSA-N 406.611 3.404 0 40 HGAB CCc1ccccc1N(CN1C(=O)[C@@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C1=O)C(=O)C(F)(F)F 226401263 MRYOEHRLOWYCCK-DFYGGBHCSA-N 418.415 3.155 0 40 HGAB Cc1ccc(Nc2cc(C)nc([C@@H]3CCN(S(=O)(=O)c4cn(C)cn4)C3)c2)cc1 257217588 CZPBOBLGWGEHIW-QGZVFWFLSA-N 411.531 3.354 0 40 HGAB CC(C)n1cnc([C@@H]2CN(Cc3ccccc3)C[C@]23OCCN(CC2CCC2)C3=O)c1 306126029 DKBHTDLNPCYXGE-DHLKQENFSA-N 422.573 3.461 0 40 HGAB c1cnc(N2CC3(CN(CC4CC4)C3)[C@]3(CCCN(Cc4cccnc4)CC3)C2)nc1 306128484 HBLCPUOXTDCUIZ-DEOSSOPVSA-N 418.589 3.076 0 40 HGAB CC(C)n1cc(CN2CCN(C)[C@H](c3cn4c(N5CCCC5)cccc4n3)C2)cn1 306144428 ZEULUJFMQHGLBL-NRFANRHFSA-N 407.566 3.201 0 40 HGAB C[C@H](C(=O)N1CCC(Cc2ccccc2)CC1)N(c1ccccc1)S(C)(=O)=O 408547921 OOJAIQWFZRFPNJ-GOSISDBHSA-N 400.544 3.322 0 40 HGAB COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)C(=O)Nc1ccc(F)c(Cl)c1 408617026 CAKUHXRHLGFOFZ-VIFPVBQESA-N 421.277 3.447 0 40 HGAB COc1ccc(C(=O)[C@H](C)N(C(=O)c2ccc(Cl)cc2)N2C(=O)CCC2=O)cc1 408640323 AQGGDFYVEMOJIJ-ZDUSSCGKSA-N 414.845 3.126 0 40 HGAB Cc1cccc(C(=O)NCc2nnc(SCC(=O)Nc3cccc(C)c3C)n2C)c1 409062542 WNTIRALPQKIANY-UHFFFAOYSA-N 423.542 3.401 0 40 HGAB COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(Cl)cc(Br)c2O)C1=O 409075024 WVVOTYVKNVRVHP-KIUQOZPWSA-N 420.668 3.406 0 40 HGAB O=C(COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1)NC1CCCC1 409387977 BRVPKPOLHHWFGF-UHFFFAOYSA-N 414.527 3.266 0 40 HGAB COc1ccc(CN2CCC(OC)(c3nc(C4CCOCC4)no3)CC2)cc1OC 516320339 MGGRWLCJQNNVTH-UHFFFAOYSA-N 417.506 3.119 0 40 HGAB CCc1ncnc(O[C@@H]2CCN(C(=O)COc3cccc(C(F)(F)F)c3)C2)c1F 575413880 KEHMGLJGHSHJAS-CQSZACIVSA-N 413.371 3.256 0 40 HGAB CCOC(=O)c1cnc(N2CCC[C]2CO)nc1NCc1ccc(OC)c(Cl)c1 1560407685 RIAWDYIEPWZQBC-UHFFFAOYSA-N 419.889 3.052 0 40 HGAB CNC(=O)c1cccc([C@H]2CN(Cc3cccc(Oc4ncccn4)c3)CCN2C)c1 1848352742 JPLZIOVQGDYNOX-JOCHJYFZSA-N 417.513 3.117 0 40 HGAB O=C(O)[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 794190 QYTZXQYIXFMOCW-ROUUACIJSA-N 408.520 3.081 0 40 HGAB Cn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)NCc1ccccc1 797539 WHXXXVSJVAKGAI-UHFFFAOYSA-N 401.923 3.489 0 40 HGAB COC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3Cl)c(=O)n2[C@@H]1c1ccccc1 831292 OATDJEOYHCRPAI-LYPXWFNGSA-N 424.909 3.062 0 40 HGAB COc1ccc(CCNC(=O)COc2ccc(C)cc2-n2nc3ccccc3n2)cc1 1441062 XIWIVEMPVGJKAG-UHFFFAOYSA-N 416.481 3.475 0 40 HGAB O=C(COC(=O)c1cc(I)ccc1O)c1ccc(F)cc1 3242852 XYNFCFPZHKRXFY-UHFFFAOYSA-N 400.143 3.176 0 40 HGAB C[C@H](NC(=O)COC(=O)CNC(=O)c1ccc(Cl)cc1Cl)c1ccccc1 3301950 GYGIABWVNFPMHY-LBPRGKRZSA-N 409.269 3.144 0 40 HGAB C[C@H](OC(=O)CCNC(=O)c1ccc(N)cc1)C(=O)Nc1cc(Cl)cc(Cl)c1 3362319 MUAGLSWCDZVMCU-NSHDSACASA-N 424.284 3.266 0 40 HGAB COc1ccccc1-c1nnc(SCC(=O)N2CCCC2=O)n1-c1ccc(C)cc1 3401736 FOJDJJBHPILYJN-UHFFFAOYSA-N 422.510 3.492 0 40 HGAB Cc1cccc(C(=O)Nc2ccccc2C(=O)OCC(=O)N2C[C@H](C)O[C@H](C)C2)c1 3488831 VDRGKTIGRBAZAG-CALCHBBNSA-N 410.470 3.040 0 40 HGAB CCOC(=O)N1CCc2c(sc3c2C(=O)N[C@H](c2ccc(O)c(OCC)c2)N3)C1 4543258 YBLYLOFYZCTXCP-KRWDZBQOSA-N 417.487 3.221 0 40 HGAB COc1cc(/C=C/C(=O)OCC(=O)NCCCc2ccccc2)cc(OC)c1OC 5506534 YFEWXKPNICSINE-VAWYXSNFSA-N 413.470 3.018 0 40 HGAB C[C@H](NC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc(-n2ccnc2)cc1 5901874 VFEJHSHSUGJSHU-RNXZQOMOSA-N 406.530 3.382 0 40 HGAB CC(=O)NCCCc1ccc(C(=O)COC(=O)c2ccc(OC(F)F)cc2)cc1 6112102 WBISOXSJMSQROY-UHFFFAOYSA-N 405.397 3.396 0 40 HGAB CCn1c(SCC(=O)NC2CCCC2)nnc1[C@@H](C)NC(=O)c1cccc(C)c1 6359428 GPSCTFQYXLHDNI-OAHLLOKOSA-N 415.563 3.248 0 40 HGAB Cc1cc(C)c(OCC(=O)N(Cc2ccccc2F)[C@H]2CCS(=O)(=O)C2)c(C)c1 6811057 FQYZHWSXZWFNKX-IBGZPJMESA-N 419.518 3.346 0 40 HGAB COc1ccccc1NS(=O)(=O)c1ccc(OC)c(C(=O)N2CCCCC2)c1 7361493 MTFOFCLHWISVKP-UHFFFAOYSA-N 404.488 3.131 0 40 HGAB CCCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)COc2ccc(C(C)C)cc2)n1 7420423 YKIWSQJKLZBBTO-UHFFFAOYSA-N 409.490 3.357 0 40 HGAB C[C@H](OC(=O)CCN1C(=O)c2ccccc2C1=O)C(=O)Nc1ccc(F)cc1Cl 8667323 LVOKITYJDQQHJQ-NSHDSACASA-N 418.808 3.036 0 40 HGAB COc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc1 8844938 ONKYZKQNQSRSQI-LJQANCHMSA-N 422.268 3.408 0 40 HGAB C[C@H](O)CNc1nc(Nc2ccc3c(c2)OCO3)c2cnn(-c3ccccc3)c2n1 9573623 PKSPBHIESTVDSS-ZDUSSCGKSA-N 404.430 3.081 0 40 HGAB CCOC(=O)c1nn(-c2ccccc2C)c(=O)cc1NCc1ccc2c(c1)OCO2 9827949 NKMVUACMDNNAOJ-UHFFFAOYSA-N 407.426 3.058 0 40 HGAB O=C1C[C@@H](C(=O)Nc2ccc(Cl)c(Cl)c2)n2nc(-c3cccnc3)nc2N1 9926469 ZNXUYMMSGVZCHJ-ZDUSSCGKSA-N 403.229 3.169 0 40 HGAB CC(C)(C)n1ncc2c(=O)n(NC(=O)Cc3ccc(-c4ccccc4)cc3)cnc21 10250923 JVYOAUMKLHBSTO-UHFFFAOYSA-N 401.470 3.328 0 40 HGAB CNS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(Br)c(C)c2)cc1 10916809 NARCJQGHBKGXPH-UHFFFAOYSA-N 411.321 3.237 0 40 HGAB O=C(c1ccc(F)cc1Cl)N1CCN(c2ccc(Nc3ccccn3)nn2)CC1 11697529 MXSQUXUMAAAAIT-UHFFFAOYSA-N 412.856 3.370 0 40 HGAB COc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCN3C(=O)C2CC2)cc1Cl 12068252 VNVZUVZZLMIZCN-UHFFFAOYSA-N 406.891 3.449 0 40 HGAB CCC(=O)N1CCc2cc([C@@H](O)CN3CCC(O)(c4ccc(F)cc4)CC3)ccc21 12181118 FOCCGZWIPSSKHA-QFIPXVFZSA-N 412.505 3.142 0 40 HGAB COc1ccc(CC(=O)N2CCC(c3nc4ccccc4cc3C(N)=O)CC2)cc1 12254462 DDWAAXUFBFOAFW-UHFFFAOYSA-N 403.482 3.291 0 40 HGAB CCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)c2)cc1 12521341 FWYSUPOAQZVVLD-HZPDHXFCSA-N 418.515 3.136 0 40 HGAB Cc1ccc(C(=O)O)cc1S(=O)(=O)Nc1ccc(I)cc1 12521414 WNIHYZCYRUUCCH-UHFFFAOYSA-N 417.224 3.099 0 40 HGAB COc1ccc(NC(=O)c2cc(Br)ccc2F)cc1NS(C)(=O)=O 12544812 JQNLMPJDKUKJSZ-UHFFFAOYSA-N 417.256 3.221 0 40 HGAB O=C(CCNC(=O)c1ccc(F)cc1F)Nc1cc(Cl)ccc1N1CCOCC1 12588842 PADDAIBFXXHJGE-UHFFFAOYSA-N 423.847 3.213 0 40 HGAB COc1ccc(S(=O)(=O)N(CC(=O)N2CCC[C@@H](C)C2)c2ccc(C)cc2)cc1 12854547 OLOBERHBXXOTOP-GOSISDBHSA-N 416.543 3.457 0 40 HGAB COc1ccc(Cn2nccc2NC(=O)c2cc(F)cc(F)c2)c(OC)c1OC 13012267 RUCMEIIYCRZQFA-UHFFFAOYSA-N 403.385 3.488 0 40 HGAB NC(=O)c1cc2ccccc2nc1C1CCN(C(=O)COc2ccccc2F)CC1 13267636 RXIUIYBNNUOQSQ-UHFFFAOYSA-N 407.445 3.258 0 40 HGAB O=C(COc1ccc2nc3n(c(=O)c2c1)CCC3)Nc1cccc(OC(F)(F)F)c1 13683874 CGVISBPIBKFHCH-UHFFFAOYSA-N 419.359 3.259 0 40 HGAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccc(C)c(-n2cccc2)c1 14046802 QNLFQHPSUJAAPA-UHFFFAOYSA-N 413.499 3.297 0 40 HGAB CCCCCC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N1CCOCC1 15642787 DQEPXQGQFDQWDI-UHFFFAOYSA-N 411.568 3.073 0 40 HGAB Cc1ccc(Cc2nn3c(SCC(=O)Nc4cccc(C)c4)nnc3nc2O)cc1 15882059 OIRHGEFDVZPFKC-UHFFFAOYSA-N 420.498 3.163 0 40 HGAB Cc1ccc(CN2C(=O)NC3(CCN(C(=O)Nc4ccccc4F)CC3)C2=O)cc1 17041269 QCKRKSDKUTWJNK-UHFFFAOYSA-N 410.449 3.253 0 40 HGAB O=C(CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)Nc1cccc(C2SCCCS2)c1 18706270 FUQAFIQAJQGLKZ-IYBDPMFKSA-N 402.541 3.445 0 40 HGAB COc1ccc2c(C(=O)CN3CCC(O)(Cn4cnc5ccccc54)CC3)c[nH]c2c1 19563099 ZMRHLOQDEMNWPH-UHFFFAOYSA-N 418.497 3.236 0 40 HGAB COc1ccc(CNC(=O)c2cnc(C)nc2[C@H]2CCCN2C(=O)CC(C)C)cc1 19767279 KBIUDYAUPRLLFM-HXUWFJFHSA-N 410.518 3.433 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)Nc2cc(F)ccc2F)c(C)c1 20022751 CJMWYWJGISGPEE-UHFFFAOYSA-N 412.458 3.321 0 40 HGAB COc1cccc(NC(=O)Cn2c(=O)cc(C(=O)N3CCCCC3)c3ccccc32)c1 20274435 HRBAZOLVGOAYHR-UHFFFAOYSA-N 419.481 3.275 0 40 HGAB COc1cc(/C=C2\S[C@@H](N3CCc4ccccc4C3)NC2=O)cc(OC)c1OC 20327978 CJCZQESPTHZJJY-BHSBJAHRSA-N 412.511 3.258 0 40 HGAB CCOc1cccc(N(CC(=O)Nc2cccc(OC(C)C)c2)S(C)(=O)=O)c1 22399212 SHYDBWSBKFNQBQ-UHFFFAOYSA-N 406.504 3.277 0 40 HGAB CCn1c(C)cc(O)c([C@@H](c2ccncc2)N2CCN(c3ccccc3F)CC2)c1=O 22697517 QKAMKGUZRYQZEF-HSZRJFAPSA-N 422.504 3.328 0 40 HGAB CCN(CC)C(=O)[C@H](c1ccccc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 22802454 ZDJQYOFMCUXBKL-QHCPKHFHSA-N 409.530 3.143 0 40 HGAB Cc1cc(C(=O)Nc2ccc(NC(=O)CN3CCOCC3)cc2)c2ccccc2n1 23010764 GOUOAQNCIWJTTF-UHFFFAOYSA-N 404.470 3.066 0 40 HGAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3C)CC2)cc1 23652119 FPYJOYYHNCVYFD-UHFFFAOYSA-N 402.516 3.433 0 40 HGAB NC(=O)c1ccc(CN(C(=O)C2CCN(C(=O)Nc3ccccc3)CC2)C2CC2)cc1 29264133 RDXMGZHMMMNDNB-UHFFFAOYSA-N 420.513 3.221 0 40 HGAB C[C@@H](Sc1cc(C(F)(F)F)nc2ccccc12)C(=O)N[C@@H]1CCS(=O)(=O)C1 31424221 IGEWCLFJFRBFKE-GHMZBOCLSA-N 418.462 3.038 0 40 HGAB O=C(COc1ccccc1)Nc1cccc(OCc2cc(=O)n3ccccc3n2)c1 33268510 AUUBALZGEHUTAO-UHFFFAOYSA-N 401.422 3.291 0 40 HGAB CC(=O)Nc1ccc(NC(=O)c2cc(-n3cnnc3)ccc2Br)cc1 35684123 QVVBUDAAPIWNNB-UHFFFAOYSA-N 400.236 3.241 0 40 HGAB Cc1nn(C2CCCC2)cc1CNC(=O)c1cc(-c2cnn(C)c2)nc2onc(C)c12 36619420 MDKWEYKHQDNDOT-UHFFFAOYSA-N 419.489 3.482 0 40 HGAB COc1ccc([C@H](C)NC(=O)CN(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1 38754122 RSWIIMOCIRZDSN-AWEZNQCLSA-N 410.923 3.300 0 40 HGAB CCN(CC(=O)Nc1ccc(F)c(Cl)c1)S(=O)(=O)c1cc(F)ccc1OC 39986329 VKKNPAGIUSPGCD-UHFFFAOYSA-N 418.849 3.276 0 40 HGAB NS(=O)(=O)Cc1ccc(NC(=O)c2cc(Br)ccc2Cl)cc1 40043113 ACBUCNRLHWMDNE-UHFFFAOYSA-N 403.685 3.143 0 40 HGAB O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 40073499 DAEDDXDFJZIJKT-MRXNPFEDSA-N 419.268 3.406 0 40 HGAB O=C(NC1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1cccnc1N1CCCC1 40134427 MDHWFFHWKIOEPV-UHFFFAOYSA-N 419.451 3.494 0 40 HGAB COc1cccc(CNC(=O)CN2C(=O)COc3cc(C(C)(C)C)ccc32)c1OC 44841585 KSMFVUZSWAIQJB-UHFFFAOYSA-N 412.486 3.043 0 40 HGAB COc1ccc(N(CC(=O)N[C@@H](CC(C)C)c2ccccc2)S(C)(=O)=O)cc1 44902778 ZITCIKQOADMRQO-FQEVSTJZSA-N 404.532 3.365 0 40 HGAB O=C(NCc1ccccc1F)c1ccc(Oc2nccnc2N2CCOCC2)cc1 49006065 PNPRFWBSBJQKMN-UHFFFAOYSA-N 408.433 3.175 0 40 HGAB CCOC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]3CCCN3[C@]23C(=O)Nc2ccccc23)cc1 57992087 RKQZVYFIUMOCFC-VUMVONDWSA-N 419.481 3.134 0 40 HGAB biogenic Cc1c(C)c(C)c(S(=O)(=O)N2CCNC(=O)C[C@H]2c2ccccc2)c(C)c1C 65487989 ORJFCVIEKIMGTM-FQEVSTJZSA-N 400.544 3.481 0 40 HGAB CCN1CCC[C@@H]1CNc1nc(-c2ccc3c(c2)CCCN3S(C)(=O)=O)cs1 69378610 ZKHNCMVQSOSSNY-QGZVFWFLSA-N 420.604 3.419 0 40 HGAB CC(C)OCCN1CCN(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 72288521 GGQMFIXMPRVOSV-UHFFFAOYSA-N 407.864 3.340 0 40 HGAB O=C(CN1CCCC1)N1CCC[C@@H](c2nc(O)c3c4c(sc3n2)CCCC4)C1 72334891 FCGPSUBELNDWPR-CQSZACIVSA-N 400.548 3.078 0 40 HGAB CC(=O)c1sc(C2CCN(C(=O)[C@H]3CCCN3C(=O)c3ccco3)CC2)nc1C 72340180 XUDAATZLRZWXDZ-MRXNPFEDSA-N 415.515 3.258 0 40 HGAB CC[C@@H](C)NC(=O)CN1CCC[C@H](c2c(-c3cc(C)no3)cnc3cc(C)nn23)C1 72342819 RIAIWMRSZSTERK-PBHICJAKSA-N 410.522 3.095 0 40 HGAB CN(c1nc(-c2cccs2)nc2ccccc12)C1CCN(S(C)(=O)=O)CC1 79104612 ZWHBPESBVFEMIO-UHFFFAOYSA-N 402.545 3.219 0 40 HGAB COc1ccc(NCC(=O)Nc2ccc(OC(F)F)cc2)cc1N1CCOC1=O 83957204 ZQASLLFKCQBQSO-UHFFFAOYSA-N 407.373 3.304 0 40 HGAB COC(=O)C[C@@H](c1cnn(C)c1)c1oc(CSc2ccccc2F)cc(=O)c1O 95476000 UHJSLJWJDDALKH-AWEZNQCLSA-N 418.446 3.205 0 40 HGAB CCS(=O)(=O)[C@](Cl)(I)[C@@H](O)c1ccc(Cl)cc1 96520117 ZYZLDMNGTFYMIE-VHSXEESVSA-N 409.072 3.136 0 40 HGAB C[C@@H](OC(=O)c1ccc(-n2ccnc2)nc1)c1nc2ncc(Br)cc2[nH]1 97164835 VHTGIMCWJVYEFO-SNVBAGLBSA-N 413.235 3.219 0 40 HGAB COC(=O)c1ccc(C(=O)NC(=S)/N=c2/sc3cc(C)cc(C)c3n2C)cc1 100819197 QMMCFHCGLRVDJI-LSDHQDQOSA-N 413.524 3.259 0 40 HGAB CCc1ccc(N(CC(=O)NCCOc2ccccc2C(C)C)S(C)(=O)=O)cc1 223761883 BZXYPIBVWFWWSH-UHFFFAOYSA-N 418.559 3.334 0 40 HGAB COc1ccc(N(CCCC(=O)NC[C@@H](C)c2ccccc2)S(C)(=O)=O)cc1 224694841 FMCKCELQRQPIDG-QGZVFWFLSA-N 404.532 3.161 0 40 HGAB Cc1c(Cl)cccc1N(CCCC(=O)NCCOc1ccccc1)S(C)(=O)=O 224773267 VUXYAUYNERTPMD-UHFFFAOYSA-N 424.950 3.390 0 40 HGAB COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2C)cc1 225220724 YHHGSCPVOQKFQA-RTWAWAEBSA-N 421.526 3.182 0 40 HGAB CCC[C@]1(C(=O)OC)N[C@H](c2cccs2)[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]21 245229807 GDKMBQIZOMERJG-WOYCLPQFSA-N 416.474 3.049 0 40 HGAB O=S(=O)(Cc1ccccc1)N1C[C@H]2CN(Cc3ccc(C(F)(F)F)cc3)[C@H]2C1 247310334 IFPJCIKFNYVVTI-MJGOQNOKSA-N 410.461 3.351 0 40 HGAB Cc1cnc(C(=O)N2CCO[C@@H](c3cc(Cc4cccc(F)c4)cc(C)n3)C2)cn1 257222768 DUQMAUHUZQWOQB-JOCHJYFZSA-N 406.461 3.432 0 40 HGAB CO[C@@H]1CCN(CC(=O)Nc2nc(-c3ccc(F)cc3)c(C)s2)C[C@@]12CCCO2 257236960 HEPMGCWHRTVSPT-UTKZUKDTSA-N 419.522 3.466 0 40 HGAB Cc1ccc(C)c(S(=O)(=O)N2CCC[C@H](C(=O)NCCc3ccccc3)C2)c1 260822992 DNCOANOIWJJZBW-FQEVSTJZSA-N 400.544 3.063 0 40 HGAB Cc1ccc(NC(=O)COc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)cc1 408606309 OULGXSJURBLVAO-UHFFFAOYSA-N 402.516 3.433 0 40 HGAB COC(=O)c1cccc(NC(=O)CCCN(c2ccc(F)cc2)S(C)(=O)=O)c1C 408703367 QKOZIYOKEPDVON-UHFFFAOYSA-N 422.478 3.106 0 40 HGAB COc1ccc(C(=O)N[C@@H]2C(=O)N/[N+](=C\c3ccccc3)[C@H]2c2ccc(C)cc2)cc1 409058592 TTZURWNJSDDGEE-LIFFMEMSSA-O 414.485 3.020 0 40 HGAB CCOc1ccc(/C=C2/SC(=O)N([C@@H](C)C(=O)OC)C2=O)cc1Br 409099394 RENAPRPLAIJLER-ITTMYVLYSA-N 414.277 3.446 0 40 HGAB COCC1(NC(=O)c2ccc(-c3ccc(C(=O)NC4(COC)CC4)cc3)cc2)CC1 532695957 DOCFIOLMGNIZGB-UHFFFAOYSA-N 408.498 3.171 0 40 HGAB CCn1cc(C(=O)N[C@@H]2CCc3cc(OC)c(OC)cc32)c(=O)c2ccc(C)nc21 583652542 BDLAANOCWXCPMW-GOSISDBHSA-N 407.470 3.159 0 40 HGAB CC(=O)N1CCCCCCCN(CC(=O)N2C[C@H](C)O[C@@H](C)C2)Cc2ccccc21 643576143 WWZSPCFHOXMGHM-PMACEKPBSA-N 415.578 3.441 0 40 HGAB C[C@@]1(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)OCc2ccccc2)CCCc2ccccc21 1598440477 IRGPVQMETOVKPY-KJWPAHLWSA-N 422.525 3.169 0 40 HGAB Cc1ncncc1C(=O)N1CCC[C@@H]2NC(=O)c3ccccc3OCCCCC[C@@H]21 1848357120 YWQCFLXCJAUKBG-PMACEKPBSA-N 408.502 3.141 0 40 HGAB COCc1cn(C2C[C@@H]3CC[C@H](C2)N3C(=O)Nc2cc(Cl)ccc2OC)nn1 1888879451 CDBNEGPZCXUELS-XYPWUTKMSA-N 405.886 3.487 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCC(Cn3c(C)nc4ccccc4c3=O)CC2)s1 1888914208 WPJIDSKJCZECDN-UHFFFAOYSA-N 417.556 3.176 0 40 HGAB CO[C@@H]1CCCN2C(=O)c3ccccc3OCCN(C3CCOCC3)CCCC[C@H]12 2037980960 ORWZELVIQQWBPM-FYYLOGMGSA-N 416.562 3.350 0 40 HGAB Cc1nc(CO[C@H]2CCN(S(=O)(=O)C3CC3)C[C@H]2Cc2ccccc2)cs1 2055756561 XZICKLFAEUDICC-XLIONFOSSA-N 406.573 3.394 0 40 HGAB CC(C)(C)c1cc(C(=O)N2CC[C@H]3CN(c4cc(C(F)(F)F)ccn4)C[C@H]32)[nH]n1 2087144441 CKOJYVQPLKWSHT-SWLSCSKDSA-N 407.440 3.472 0 40 HGAB CCS(=O)(=O)N1CCC(C(=O)Nc2ccc(Oc3ccccc3OC)cc2)CC1 11518498 BABSUAWAORPUCR-UHFFFAOYSA-N 418.515 3.488 0 40 HGAB COCCN1C(=O)c2ccccc2[C@@H](C(=O)NCc2ccccn2)C12CCCCC2 20730266 LXDUWUHAWCFONR-NRFANRHFSA-N 407.514 3.287 0 40 HGAB CN1C(=O)[C@@]2(Nc3ccccc3C(=O)N2Cc2ccc3c(c2)OCO3)c2ccccc21 101639344 ZTCFYWVPFRBWAY-XMMPIXPASA-N 413.433 3.313 0 40 HGAB O=C(Nc1cccnc1N1CCSCC1)[C@@H]1CC(c2ccc(Cl)s2)=NO1 51987848 WXMPGMDMWLYDSM-ZDUSSCGKSA-N 408.936 3.481 0 40 HGAB COc1ccc(C)cc1NS(=O)(=O)c1cc(C(=O)O)sc1Br 32586259 KRKIIBORGPANQV-UHFFFAOYSA-N 406.279 3.327 0 40 HGAB COc1ccc(-c2cc(-c3cccs3)nc3c2c(=O)n(C)c(=O)n3C)cc1OC 32655429 HUVLKHGYIJOQJM-UHFFFAOYSA-N 409.467 3.045 0 40 HGAB COc1ccc(CN(C)C(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)s2)cc1 32750587 YVEACDQREKIMTJ-UHFFFAOYSA-N 422.572 3.132 0 40 HGAB Cc1ccc([C@H]2CCCN2CC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)cc1 32754405 LVIXYRWBOCQZHQ-HXUWFJFHSA-N 401.532 3.021 0 40 HGAB CSc1ncc(C(=O)OCc2cc(=O)n3ccc(C)cc3n2)n1-c1ccc(F)cc1 32747296 DRHKQLQWOHKUPZ-UHFFFAOYSA-N 424.457 3.407 0 40 HGAB CCOC(=O)C1=C(C)N(C)[C@@]2(SC(C(C)=O)=NN2c2ccc(OC)cc2)S1 6810026 PGBNBHDXPGBPNR-SFHVURJKSA-N 407.517 3.235 0 40 HGAB CCOc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(C)cc3C)CC2=O)cc1 6963022 UTVBDWRGNIRGAD-KRWDZBQOSA-N 410.470 3.237 0 40 HGAB O=C(N[C@@H]1CCN(Cc2ccccc2)C1)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 32873757 SQLQDFGOPBPPBE-IFMALSPDSA-N 409.505 3.069 0 40 HGAB O=C(NC[C@@H](c1ccccc1Cl)N1CCOCC1)c1ccc(Br)o1 29804712 BXMFDKREJLSETK-AWEZNQCLSA-N 413.699 3.499 0 40 HGAB CC(C)C(=O)N1CCCc2cc([C@H](O)CN3CCN(c4ccc(O)cc4)CC3)ccc21 57811746 LBZBLIUNEQEHEQ-XMMPIXPASA-N 423.557 3.183 0 40 HGAB COC(=O)C1=C(C)N=c2s/c(=C\C=C\c3ccccc3)c(=O)n2[C@H]1c1ccccc1 662740 XAQMTXOXGPYPOP-UYUNTYKKSA-N 416.502 3.073 0 40 HGAB Cn1c(=O)[nH]c(=O)c2c1nc(SCc1ccccc1)n2CCCc1ccccc1 842290 BQOKAJYLHXGYAV-UHFFFAOYSA-N 406.511 3.348 0 40 HGAB COC(=O)C1=CN(C)C=C(C(=O)OC)C1c1ccc(OCc2ccccc2)c(OC)c1 815848 NJLOAKAQFJLLKT-UHFFFAOYSA-N 423.465 3.417 0 40 HGAB COc1ccc([C@H](CNC(=O)CCc2nnc(-c3ccsc3)o2)N(C)C)cc1 23178152 NYYOSVUNJLESAM-KRWDZBQOSA-N 400.504 3.158 0 40 HGAB CC(=O)c1ccc(NC(=O)Cn2cnc3c(sc4nc(C)cc(C)c43)c2=O)cc1 12323075 DGIJCKVEEGHEFA-UHFFFAOYSA-N 406.467 3.464 0 40 HGAB Cc1nc(-c2c(Cl)cccc2Cl)sc1C(=O)N[C@@H]1CCS(=O)(=O)C1 12391541 BCCRHXGQMLZQOX-SECBINFHSA-N 405.328 3.342 0 40 HGAB CCOc1cc(C(=O)N2CSC[C@H]2C(=O)NC(C)(C)C)cc(OCC)c1OCC 58217795 SFKDKFJFVROJOJ-HNNXBMFYSA-N 424.563 3.313 0 40 HGAB CNC(=O)[C@H](C)SC1=N/C(=C/c2ccc(OC)cc2)C(=O)N1Cc1ccccc1 96893553 WCCSPZHDEALGGB-SJPXOZHESA-N 409.511 3.302 0 40 HGAB Cc1ccc(CS(=O)(=O)N2CCC(C(=O)N[C@@H](C)c3ccccc3)CC2)cc1 24609262 MHHJLHKRUIDVLF-SFHVURJKSA-N 400.544 3.414 0 40 HGAB CCc1ccccc1NC(=O)CSc1nc2ccsc2c(=O)n1CCOC 57425729 VGPYBCJYOQMZRE-UHFFFAOYSA-N 403.529 3.398 0 40 HGAB CS(=O)(=O)N1CCc2cc(C(=O)Nc3[nH]ncc3-c3cccc(Cl)c3)ccc21 58003980 ZFKCKKABGHAMJN-UHFFFAOYSA-N 416.890 3.305 0 40 HGAB CCN1CCN(CCCNC(=O)c2ccc(N3CCc4ccccc4C3)cc2)CC1 58218448 LYCDGKCCVFNSNZ-UHFFFAOYSA-N 406.574 3.007 0 40 HGAB CCOC(=O)CNC(=O)N[C@H](c1ccc(Cl)cc1)c1nnc(-c2ccccc2)o1 20167704 QLLMIHDEEMMJAZ-QGZVFWFLSA-N 414.849 3.342 0 40 HGAB O=C(CCc1ccccc1)Nc1ccc(N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)nc1 62001791 ASCWIVGRPNEZAR-UXHICEINSA-N 414.509 3.438 0 40 HGAB biogenic Cc1ccc(-n2c3nc(=O)n(C)c(=O)c-3cc3c(C)nn(-c4ccccc4)c32)cc1C 2212725 FJXNOCBDJARMAC-UHFFFAOYSA-N 411.465 3.300 0 40 HGAB CCn1cc(CN(Cc2ccc(F)cc2)S(=O)(=O)c2c(C)nn(C)c2C)c(C)n1 36615270 UIBVIVKXHOKXEH-UHFFFAOYSA-N 419.526 3.092 0 40 HGAB COc1ccc(S(N)(=O)=O)cc1C(=O)NCCC(c1ccccc1)c1ccccc1 12761518 MRQICHDPTJJTGN-UHFFFAOYSA-N 424.522 3.295 0 40 HGAB Cc1cc(C)nc(SCC(=O)N2CCC[C@H](CN(C)C(=O)OC(C)(C)C)C2)n1 48332833 DYYYEICCPFMRLV-MRXNPFEDSA-N 408.568 3.291 0 40 HGAB O=C(NCc1ccccc1F)c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN12 13041346 BPRFFWPNDYDCGE-UHFFFAOYSA-N 401.463 3.237 0 40 HGAB O=C(O)[C@@H]1[C@@H](C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)[C@@H]2C=C[C@H]1C2 4173389 YTZQVNLKYKSHMT-LDVJMBRRSA-N 416.521 3.443 0 40 HGAB COCCn1c(SCC(=O)N(C)Cc2ccc(C)cc2)nc2ccccc2c1=O 6035206 TVZFYSSOBDHWKX-UHFFFAOYSA-N 411.527 3.102 0 40 HGAB COc1ccc(OC)c(/C=c2\sc3nc(/C=C/c4ccc(C)cc4)nn3c2=O)c1 4318641 ICUAPDBMMBDYCR-SSZQZOOLSA-N 405.479 3.195 0 40 HGAB CN(C)c1ccc(NC(=O)C2CCC(Cn3nnc4ccccc4c3=O)CC2)cc1 5267287 SELTYLNBLLACQS-UHFFFAOYSA-N 405.502 3.303 0 40 HGAB CCOC(=O)c1c(NC(=O)[C@H]2COc3ccccc3O2)sc2c1CCN(CC)C2 6325996 RCJSIHMNXKPNJZ-MRXNPFEDSA-N 416.499 3.081 0 40 HGAB COc1ccc(Cl)cc1S(=O)(=O)N[C@H](C)C(=O)NCCC1=CCCCC1 408604295 HZLPEFBURUUZAW-CYBMUJFWSA-N 400.928 3.022 0 40 HGAB CN(C)c1ccc(NC(=O)c2ccc3c(c2)S(=O)(=O)c2ccccc2C3=O)cc1 6419267 VTCUCRWDAPVBHD-UHFFFAOYSA-N 406.463 3.382 0 40 HGAB O=C(CNC(=O)c1ccc(Br)o1)Nc1ccc(OC(F)(F)F)cc1 6559183 OZHIEOXPFNPYDR-UHFFFAOYSA-N 407.142 3.309 0 40 HGAB CC(=O)c1ccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 14828748 YGALZAFJBPMRPY-MRXNPFEDSA-N 416.499 3.080 0 40 HGAB COc1cc(OC)cc([C@H](NS(=O)(=O)c2cccc(Cl)c2)c2nccn2C)c1 8720039 QLKYNQOQLMWRHU-SFHVURJKSA-N 421.906 3.159 0 40 HGAB Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)[C@@H](C)Sc3ccccc3)CC2)c1 5823998 HJAOXBXGKTURRA-GOSISDBHSA-N 418.584 3.317 0 40 HGAB CCOc1ccc([C@@H]2Nn3c(C)nnc3S[C@@H]2C(=O)NCc2ccccc2)cc1 9239012 LRDWCRGANODPNO-OALUTQOASA-N 409.515 3.061 0 40 HGAB C[C@H]1Sc2ccc(C(=O)N(C)CC(=O)Nc3ccc(Cl)cc3)cc2NC1=O 9514934 YITWXENXAQINBQ-LLVKDONJSA-N 403.891 3.483 0 40 HGAB O=C(Nc1nc(-c2ccccn2)cs1)c1ccc(=O)n(CCOc2ccccc2)n1 9658080 IPSKTPRHUCCSFG-UHFFFAOYSA-N 419.466 3.093 0 40 HGAB COc1ccccc1N(CC(=O)Nc1ccc(OC2CCCC2)cc1)S(C)(=O)=O 22362599 WIPYUEDBVPBGQL-UHFFFAOYSA-N 418.515 3.421 0 40 HGAB COc1cc(OC)cc(C(=O)NCc2nc(-c3cccc(Br)c3)no2)c1 95482234 WFPTUXPEWAJMLR-UHFFFAOYSA-N 418.247 3.446 0 40 HGAB Cc1ccc(NC(=O)N2CCOCC[C@H]2C)cc1NC(=O)N1CCOCC[C@H]1C 95459967 ITAZBQWOZXOUCK-IAGOWNOFSA-N 404.511 3.280 0 40 HGAB O=C(COC(=O)c1c2c(nc3ccccc13)CCC2)Nc1nnc(C(F)(F)F)s1 9970924 ZTBKYGJVIFZUFB-UHFFFAOYSA-N 422.388 3.389 0 40 HGAB CS(=O)(=O)Nc1ccc(C(=O)Nc2nnc(SCc3ccccc3)s2)cc1 21956057 XLYLYPCUHAMLKL-UHFFFAOYSA-N 420.541 3.454 0 40 HGAB Cc1ccc(CNC(=O)c2ccccc2NC(=O)C(=O)NCc2ccc(F)cc2)cc1 408710030 LYWHGOGVNRDLEW-UHFFFAOYSA-N 419.456 3.319 0 40 HGAB CCn1cc(CNC(=O)c2cc(-c3cccc(OC)c3)nc3c2c(C)nn3C)cn1 36616859 AQRYQPOMSXAAPP-UHFFFAOYSA-N 404.474 3.099 0 40 HGAB CN1CCN(C(=O)c2ccncc2)C[C@@H]1c1nnn2cc(-c3cccc(F)c3)ccc12 306124337 BMXGMJDUPOWSCJ-OAQYLSRUSA-N 416.460 3.059 0 40 HGAB O=C(C[C@@H](c1ccc(Cl)cc1)n1cccc1)Nc1ccc2[nH]c(=O)c(=O)[nH]c2c1 524733928 FIFROAKNDVNGOA-SFHVURJKSA-N 408.845 3.290 0 40 HGAB O=C(C1=C(c2ccccc2)S(=O)(=O)CCO1)N1CCC(Cc2ccccc2)CC1 32092031 KXKKQNBHDHWFNC-UHFFFAOYSA-N 411.523 3.282 0 40 HGAB Oc1ccc(-c2n[nH]cc2CN2CCC3(CC2)Nc2ccccc2C2=NCCN23)cc1 72327158 KOZBQRYVCSQUFM-UHFFFAOYSA-N 414.513 3.262 0 40 HGAB CCOc1cc(CN2CCc3c(O)nc(N4CCC(C)CC4)nc3C2)ccc1OC 72347359 WTHOJBAJVXHZGT-UHFFFAOYSA-N 412.534 3.384 0 40 HGAB COc1cc2c(cc1CN1CCC[C@H]1c1cncc(Nc3cnccn3)n1)OCCO2 72376433 SNJCPVKJGPEDDN-KRWDZBQOSA-N 420.473 3.127 0 40 HGAB Cc1nonc1CN(C)C(=O)CC1CCN(C(=O)C2(c3ccccc3)CCCC2)CC1 72344534 UUZYRWMJPVQHMB-UHFFFAOYSA-N 424.545 3.477 0 40 HGAB O=C(NCCSC1CCCC1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 223424722 SBZJSTDUJIUVFM-KRWDZBQOSA-N 416.996 3.285 0 40 HGAB Cc1ccccc1CSCCNC(=O)[C@H](C)N(c1cccc(F)c1)S(C)(=O)=O 220473467 IZLSETTYVNXFIY-INIZCTEOSA-N 424.563 3.338 0 40 HGAB CCOC(=O)c1sc(NS(=O)(=O)c2ccc(OCC)c(Cl)c2)nc1C 223253331 SAUGGHUHCUUJFP-UHFFFAOYSA-N 404.897 3.481 0 40 HGAB C[C@H](OC(=O)c1cccc(S(=O)(=O)NC2CC2)c1)c1nc(-c2cccs2)no1 40072520 CAVHYPNMZJCBLL-NSHDSACASA-N 419.484 3.157 0 40 HGAB Cc1ccc(N([C@@H](C)C(=O)NCCOc2ccccc2Cl)S(C)(=O)=O)cc1C 223890749 UBSUAYSHGBQNGG-INIZCTEOSA-N 424.950 3.307 0 40 HGAB CCOC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccc(OC)c(OC)c1 224793475 UNSXVUXOAJLBLU-UHFFFAOYSA-N 407.488 3.079 0 40 HGAB CC[C@H](NC(=O)[C@@H](c1ccccc1)N(C)S(C)(=O)=O)c1ccc(OC)c(C)c1 225036389 IMEOOUFWRDMDJL-AZUAARDMSA-N 404.532 3.204 0 40 HGAB COc1cccc(OC)c1COC(=O)c1snnc1-c1cnc(SC)nc1 223856107 XSOJEEHQUIEJCA-UHFFFAOYSA-N 404.473 3.091 0 40 HGAB COc1ccc2cc(S(=O)(=O)NCc3ccccc3CN3CCCC3=O)ccc2c1 225852304 OCMBQUYXMBIMAF-UHFFFAOYSA-N 424.522 3.449 0 40 HGAB CC[C@H](C(=O)N[C@@H](C)COc1ccccc1C)N(c1ccccc1F)S(C)(=O)=O 220605443 YOHHQOSMNGDNBD-FUHWJXTLSA-N 422.522 3.262 0 40 HGAB Cc1ccccc1OCCNC(=O)CCCN(c1ccccc1C)S(C)(=O)=O 224641702 PRUGZJPLXBADII-UHFFFAOYSA-N 404.532 3.045 0 40 HGAB C[C@@H](NC(=O)[C@@H](C)N(c1ccccc1F)S(C)(=O)=O)c1ccc2c(c1)CCC2 223235060 HXLFKMPGQDHUBZ-HUUCEWRRSA-N 404.507 3.346 0 40 HGAB CN1C(=O)c2ccc(-c3ccc(F)cc3F)cc2O[C@H]2CN(Cc3cnn(C)c3)C[C@H]21 514289551 KXCAUIJAIBVMRY-IRLDBZIGSA-N 424.451 3.083 0 40 HGAB biogenic,in-vitro Cc1cnc(CNC(=O)c2nc(-c3cn(-c4ccccc4)cn3)n3ccccc23)cn1 96266880 VTFZVVXAHWHOLR-UHFFFAOYSA-N 409.453 3.215 0 40 HGAB CSCC[C@@H](Nc1nc(C)cc(C)n1)C(=O)N1CCO[C@H](c2ccccc2)C1 95478944 OZLRBWYIVGILKH-MOPGFXCFSA-N 400.548 3.227 0 40 HGAB O=C(C[C@H](Cn1cnnn1)c1ccc(Cl)cc1)NCCc1c[nH]c2ccccc12 95473870 AQOANZJAQVDXBP-QGZVFWFLSA-N 408.893 3.341 0 40 HGAB OC[C@H]1[C@H](O)C[C@@H](NCc2ccc(C(F)(F)F)cc2)[C@@H]1Cc1ccnc(C2CC2)n1 604382108 DSFGTEKIEQIRFT-UAFMIMERSA-N 421.463 3.063 0 40 HGAB biogenic,in-vitro Cc1ccc2c(c1)OC1(CCN(C(=O)CCN3CCCC3=O)CC1)[C@H]1CCCO[C@H]21 257335408 YKABQRZKGJPBBL-WMZHIEFXSA-N 412.530 3.229 0 40 HGAB COc1ccc(S(=O)(=O)NC[C@H](c2ccco2)N2CCSCC2)cc1Cl 253400152 KURUYPBCTGFTTH-OAHLLOKOSA-N 416.952 3.010 0 40 HGAB COCCOc1ccccc1C(=O)N[C@@H](C(=O)OC)c1cccc(C(F)(F)F)c1 1133133900 XLTBFSUIHXMENU-QGZVFWFLSA-N 411.376 3.375 0 40 HGAB Cc1cccc(CO[C@H]2CCOC3(C2)CN(C(=O)c2ccc4c(ccn4C)c2)C3)n1 575406683 ZTMVJVBAXAXBHL-NRFANRHFSA-N 405.498 3.472 0 40 HGAB C[C@@H](OC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccccc1)C(=O)c1ccc(F)cc1 58030126 UWTVGJMBGLALCK-DNVCBOLYSA-N 419.474 3.184 0 40 HGAB O=C(CCn1cccn1)N1CCC2(CC1)C[C@@]1(CO2)Nc2ccccc2-n2cccc21 72327275 RDKAXPSLPCVJJJ-DEOSSOPVSA-N 417.513 3.166 0 40 HGAB COc1ccc(-c2nnc(SCC(=O)Nc3nccs3)n2-n2cccc2)cc1 5224294 XURJMCXBWBSMSA-UHFFFAOYSA-N 412.500 3.254 0 40 HGAB Cc1ccc(C)c(NC(=O)COc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1 16290994 JNAYUYHFYJJPDY-UHFFFAOYSA-N 402.516 3.496 0 40 HGAB COc1cn(CC(=O)Nc2ccc(C)c(Cl)c2)c(CN2CCCCC2)cc1=O 17120723 KEIOWEAGEVZRPD-UHFFFAOYSA-N 403.910 3.443 0 40 HGAB Cc1nn(C)cc1C(=O)N1CCC[C@H]1c1nc(N(C)C)ncc1-c1cccc(F)c1 19689507 IDLSCZPBQBDDBS-IBGZPJMESA-N 408.481 3.368 0 40 HGAB O=C([C@H]1CO[C@H]2C=CC=C[C@@H]2O1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 19897275 IDWULGNULPQONK-KMDXXIMOSA-N 416.521 3.199 0 40 HGAB O=c1[nH]c(-c2cccnc2)nc2c1CCN(Cc1ccc(OC(F)(F)F)cc1)C2 12666241 KJLKPIQLMFHVOP-UHFFFAOYSA-N 402.376 3.289 0 40 HGAB COc1cccc(N2C[C@@H](NC(=O)CCc3nc4cc(Cl)ccc4[nH]3)CC2=O)c1 19565766 UBRRGQSLEKKJDN-AWEZNQCLSA-N 412.877 3.079 0 40 HGAB Cc1noc(C)c1C(=O)NCc1ccc(-c2nc(C3CC3)ncc2C(=O)N(C)C)cc1 19580295 VUXWSARVSFCLSS-UHFFFAOYSA-N 419.485 3.258 0 40 HGAB O=C(CN1CCC(c2ccccc2)CC1)Nc1ccc(N2CCCS2(=O)=O)cc1 19655322 STRMYGWPJDWZHJ-UHFFFAOYSA-N 413.543 3.045 0 40 HGAB Cc1cc(C)n(-c2ccc(CN3CCC(NS(=O)(=O)c4ccccc4)CC3)cc2)n1 36395471 DFOWRDKQMVOTJD-UHFFFAOYSA-N 424.570 3.432 0 40 HGAB CC(C)Oc1ccc([C@H]2CN(Cc3ccccc3)[C@@H]3CCN(C(=O)CO)C[C@H]23)cc1 2037834426 CIGWZSAJGIGLPV-WXFUMESZSA-N 408.542 3.283 0 40 HGAB C[C@@H]1CCCN(C(=O)[C@@H]2CCc3sc(NC(=O)c4ccc5c(c4)OCO5)nc32)C1 9132393 BCPISDDADWOEKC-TZMCWYRMSA-N 413.499 3.412 0 40 HGAB COc1ccc(NC(=O)c2csc(NS(=O)(=O)c3ccc(OC)cc3)n2)cc1 11693252 KAYGOYQGDXDKSW-UHFFFAOYSA-N 419.484 3.213 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCC[C@@H]2CC(=O)NC2CCCCCC2)cc1 15391171 NEZAVIYRFOEBOK-GOSISDBHSA-N 408.564 3.468 0 40 HGAB Cc1cccc(NC(=O)C(=O)NC[C@H](c2ccco2)N2CCc3ccccc3C2)c1 22907413 RAGJGWAXYSPOSM-OAQYLSRUSA-N 403.482 3.442 0 40 HGAB COc1ccc(OC)c(S(=O)(=O)NCCOc2cccc(C(F)(F)F)c2)c1 23143563 JYNUOVPWUQQYFD-UHFFFAOYSA-N 405.394 3.080 0 40 HGAB O=S(=O)(NCCc1csc(-c2cccnc2)n1)c1ccc(Br)cc1 11758698 XTYHYXMWBMCAPN-UHFFFAOYSA-N 424.345 3.489 0 40 HGAB O=C(Oc1ccc(Cl)cc1)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 712152 WJFWATUQQOJWEF-UHFFFAOYSA-N 416.282 3.234 0 40 HGAB Cn1c(=O)c2c(-c3ccccc3Cl)c3c(nc2n(C)c1=O)-c1ccccc1[C@H]3O 780614 OYPQGBNMBCJIDF-LJQANCHMSA-N 405.841 3.015 0 40 HGAB O=C(COC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(Br)cc1 993234 SJHBYRVQMJCXAG-MRXNPFEDSA-N 416.271 3.224 0 40 HGAB CC(C)[C@H]1Cc2c(sc3nc(SCC(N)=O)n(-c4ccccc4)c(=O)c23)CO1 1245555 INDRJUNYNNCJMC-CQSZACIVSA-N 415.540 3.122 0 40 HGAB CCN(CC)c1ccc(NC(=O)CSc2nnc(-c3ccccc3F)n2N)cc1 2394934 ALGWSIXVFIFOHX-UHFFFAOYSA-N 414.510 3.375 0 40 HGAB COC(=O)[C@H](C)Sc1nnc2c3cnn(-c4ccc(C)c(Cl)c4)c3ncn12 2400704 QHAPPWOEJLNLAV-JTQLQIEISA-N 402.867 3.079 0 40 HGAB CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)c1C 2648718 WTBLBWGTESFARW-UHFFFAOYSA-N 418.500 3.344 0 40 HGAB O=C(COC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1)NC[C@@H]1CCCO1 3276423 HCTFLOQIFKQPCS-INIZCTEOSA-N 401.846 3.023 0 40 HGAB COC(=O)c1cc(OC(=O)c2ccc(-n3nc(C)cc3C)cc2)cc(C(=O)OC)c1 3375513 UEAWFDWTUVHAJS-UHFFFAOYSA-N 408.410 3.282 0 40 HGAB CCCCN(C(=O)Nc1ccc(C)c(Cl)c1)c1c(N)n(CCC)c(=O)[nH]c1=O 3434430 YZOJYIFUZBRUBV-UHFFFAOYSA-N 407.902 3.329 0 40 HGAB CCC[C@@H]1O[C@@H]2C[C@@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@H]4[C@H](O)C[C@]3(C)[C@]2(C(=O)O)O1 4025501 GHPORMLBYXHFAV-HQIOBYMBSA-N 416.514 3.240 0 40 HGAB biogenic C[C@H](CCc1ccccc1)NC(=O)COC(=O)C[C@@H]1Sc2ccccc2NC1=O 4546872 DEDIPKKLJKANPM-BEFAXECRSA-N 412.511 3.170 0 40 HGAB CCCc1nnc(NC(=O)CSc2nnc([C@H](C)Oc3ccccc3)n2C)s1 4814885 AMICEPVFRHTDHT-LBPRGKRZSA-N 418.548 3.490 0 40 HGAB COCCn1c(SCC(=O)Nc2ccc(OC)cc2)nnc1-c1ccoc1C 4860518 ONXVDDSMHRNBDE-UHFFFAOYSA-N 402.476 3.232 0 40 HGAB O=c1c2nnn(-c3ccc(OC(F)(F)F)cc3)c2ncn1Cc1ccc(F)cc1 5056863 BDLYOUNMUKODRL-UHFFFAOYSA-N 405.311 3.063 0 40 HGAB COC(=O)c1ccccc1NC(=O)C1CCC(Cn2nnc3ccccc3c2=O)CC1 5243355 XCXWWZXWPIPYHD-UHFFFAOYSA-N 420.469 3.023 0 40 HGAB COc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCCN(C)C)[C@H]3c1cccc(F)c1 5345825 SDBNLPOFUPYXJU-FQEVSTJZSA-N 410.445 3.438 0 40 HGAB COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2nnnn2-c2ccc(C)cc2C)c1C 5414928 HQRWJAUOBQKYNM-AWEZNQCLSA-N 413.503 3.374 0 40 HGAB CCCCCNC(=O)CN1CC[C@]2(O)CCCC[C@@H]2[C@@H]1c1ccc2c(c1)OCO2 6264166 XFEVYGOFGKAHNI-YFXJRYMSSA-N 402.535 3.390 0 40 HGAB biogenic COc1ccc(OC)c(NC(=O)COc2ccc(I)cc2)c1 7034757 IMJGYPFRHUMVLW-UHFFFAOYSA-N 413.211 3.326 0 40 HGAB O=C(CNC(=O)C12CC3CC(CC(C3)C1)C2)N1CCN(c2ccccc2Cl)CC1 7166360 XWMLPHLALFQRPM-UHFFFAOYSA-N 415.965 3.321 0 40 HGAB O=C(CCn1c(=O)oc2ccccc21)NCC(=O)Nc1cc(Cl)ccc1Cl 7312481 ITMJDGXIJNWFSG-UHFFFAOYSA-N 408.241 3.046 0 40 HGAB Cc1nn(C)c(C)c1NC(=O)[C@@H](C)OC(=O)c1cc(Cl)c2c(c1)OCCCO2 7825610 MHFQRYJJXXVBKA-GFCCVEGCSA-N 407.854 3.036 0 40 HGAB CCOc1cc(C(=O)Nc2cc(C)ccc2C)ccc1OCC(=O)N1CCOCC1 8180607 IGRMRFRPXOSCLH-UHFFFAOYSA-N 412.486 3.192 0 40 HGAB Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)NCCc1ccccc1F 8400946 LLSLZSYRIGHIRO-UHFFFAOYSA-N 409.387 3.191 0 40 HGAB Cc1cccc(N2CCn3c2nc2c3c(=O)n(Cc3ccc(Cl)cc3)c(=O)n2C)c1 9406709 IKBIDJYQZIMZLB-UHFFFAOYSA-N 421.888 3.059 0 40 HGAB COc1ccc(C(=O)N[C@@H](C)C2CC2)cc1S(=O)(=O)NCc1ccc(Cl)cc1 9585352 IUAYRGXSAOWXKO-ZDUSSCGKSA-N 422.934 3.355 0 40 HGAB Cc1ccccc1-n1cnnc1SCC(=O)Nc1ccc(N2CCCC2=O)cc1 9865258 AZQFIASAKSMVDI-UHFFFAOYSA-N 407.499 3.433 0 40 HGAB CC(=O)C[C@]1(O)C(=O)N(CCOc2ccccc2)c2ccc(Br)cc21 9872906 PGYQMAGIWWNBBQ-LJQANCHMSA-N 404.260 3.041 0 40 HGAB CCC[C@@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 9974083 TWVAJSKLEULZSR-KGLIPLIRSA-N 417.369 3.155 0 40 HGAB CCOC(=O)c1c(C)oc2ncn(CC(=O)N[C@@H](c3cccs3)C(C)C)c(=O)c12 11188481 KHYJBAFXHFFNMQ-QGZVFWFLSA-N 417.487 3.050 0 40 HGAB COC(=O)c1ccc(C)c(NC(=O)Cc2c(C)nc3nc(C(F)(F)F)nn3c2C)c1 11199381 HSDBZJUVKXTTPY-UHFFFAOYSA-N 421.379 3.036 0 40 HGAB CCOC(=O)/C=C/c1ccc(NC(=O)CSc2nnnn2C2CCCC2)cc1 11264172 HYWFNAWOVQFFQK-FMIVXFBMSA-N 401.492 3.095 0 40 HGAB COc1cc(C(=O)N2CCC[C@@H](c3nc(C)nc4ncccc34)C2)cc(OC)c1OC 12253999 PTXZWFWGCXFFTI-OAHLLOKOSA-N 422.485 3.379 0 40 HGAB COc1ccc(CC(=O)N[C@H]2CCCc3nc(-c4ccncc4)ncc32)cc1OC 12329158 DMOUJSCZEQJJKP-SFHVURJKSA-N 404.470 3.292 0 40 HGAB Cc1cc(C)cc(-n2c(-c3cccs3)cn3c4c(=O)n(C)c(=O)n(C)c4nc23)c1 12445762 IVOIFGWCQJOGJJ-UHFFFAOYSA-N 405.483 3.021 0 40 HGAB Cn1ccnc1[C@H](NC(=O)COc1cccc(Br)c1)c1ccccc1 12534989 FEKSRSNTSTUDAV-GOSISDBHSA-N 400.276 3.467 0 40 HGAB O=C(O[C@@H]1CCc2ccccc21)[C@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1 12852117 ZCUFJIQZNANXHE-QFBILLFUSA-N 410.495 3.078 0 40 HGAB CCOC(=O)c1ccc(NC(=O)CN(C)CC(=O)Nc2ccccc2Cl)cc1 13059985 RGJSAHRYYIINTP-UHFFFAOYSA-N 403.866 3.026 0 40 HGAB C[C@@H](NS(=O)(=O)c1c(Cl)cccc1Cl)C(=O)Nc1ccc2c(c1)OCO2 13149423 MPXSHNDHBAVVIB-SECBINFHSA-N 417.270 3.028 0 40 HGAB CCCOc1ccc(-c2csc(NC(=O)[C@@H]3CCCN(S(C)(=O)=O)C3)n2)cc1 13789992 HUJMVPMOANEUOC-OAHLLOKOSA-N 423.560 3.209 0 40 HGAB CC1(C)C(=O)Nc2ccccc2N1C(=O)Cn1cnc2sc3c(c2c1=O)CCCC3 14188702 CRIXJGNIYDOIKI-UHFFFAOYSA-N 422.510 3.101 0 40 HGAB C[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc2ccccc2c1 14232588 MHPDEYJZMCPUFN-QGZVFWFLSA-N 424.522 3.352 0 40 HGAB Cc1cc2n(n1)[C@@H](C(F)F)C[C@@H]([C@H]1CCCN(C(=O)[C@H](C)N3CCCCC3)C1)N2 19127287 CRIDRIBBLXSDEO-XLAORIBOSA-N 409.525 3.295 0 40 HGAB COc1ccc(-c2nnc3n2[C@@H]2CCCC[C@@H]2N(C(=O)c2cnc(C)cn2)C3)cc1 19238961 NPWKZCVQLJQFEE-RBUKOAKNSA-N 404.474 3.192 0 40 HGAB CCC[C@@H]1C[C@](O)(Cn2cnc3c(c(C)c(C)n3Cc3ccccc3)c2=O)CCN1 19502088 PBRXHBHONRNLGG-YKSBVNFPSA-N 408.546 3.146 0 40 HGAB CCOc1cc(CN2CCC[C@H](c3ncccc3S(C)(=O)=O)C2)ccc1OC 19531964 SUSWSKXLJVHVQY-KRWDZBQOSA-N 404.532 3.272 0 40 HGAB CC[C@@H](c1ccc(F)cc1)n1cc(C(=O)N2CCCN(Cc3ccccn3)CC2)nn1 19660083 PKKCKNIZGIPIFV-QFIPXVFZSA-N 422.508 3.160 0 40 HGAB COc1cccc(NC(=O)CSc2nnc(COc3ccccc3OC)o2)c1 19928394 QGYGGWGZGIVERX-UHFFFAOYSA-N 401.444 3.397 0 40 HGAB O=C(c1cccc(Br)c1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 20123857 VBZUJGAOPRQQCQ-UHFFFAOYSA-N 403.276 3.136 0 40 HGAB CCc1ccccc1N1C(=O)/C(=C/NCCCN2CCOCC2)c2ccccc2C1=O 20518420 ZLITXVLMPPFNAO-RELWKKBWSA-N 419.525 3.089 0 40 HGAB CCCc1nnc(NC(=O)[C@H]2CC(=O)N(CCc3c[nH]c4ccc(C)cc34)C2)s1 21785365 NBDXYCJZHVSSFW-HNNXBMFYSA-N 411.531 3.310 0 40 HGAB CCOC(=O)C1CCN([C@H](c2cccs2)c2c(O)cc(C)n(CC)c2=O)CC1 22697540 ZCIUTGBITYEVIZ-LJQANCHMSA-N 404.532 3.308 0 40 HGAB CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)CN1CSCC1=O 22746269 ULKDHGSLQBSTTC-UHFFFAOYSA-N 420.512 3.072 0 40 HGAB Cn1c(=O)c2c(NCCC(c3ccccc3)c3ccccc3)ccnc2n(C)c1=O 22767830 LIFJUZJTLADMNE-UHFFFAOYSA-N 400.482 3.266 0 40 HGAB COc1ccc(-c2noc(CN3C(=O)COc4cc(Cl)ccc43)n2)cc1OC 23126174 JNQADOPMSVPUJW-UHFFFAOYSA-N 401.806 3.333 0 40 HGAB CS(=O)(=O)Nc1ccccc1NC(=O)c1ccc(NC(=O)c2ccco2)s1 24894217 YQCPDDJNVQJGDC-UHFFFAOYSA-N 405.457 3.217 0 40 HGAB O=C(c1ccco1)N1CCC[C@H](C(=O)N2CCN(c3cccc(Cl)c3)CC2)C1 25432821 YZVLZRMREWNKSD-INIZCTEOSA-N 401.894 3.134 0 40 HGAB Cc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)c(Br)c1 29000646 GUBPLMONABTMOQ-LBPRGKRZSA-N 417.259 3.478 0 40 HGAB Cc1ccc(NC(=O)CN2CCN(Cc3noc(-c4ccc(C)cc4)n3)CC2)cc1 32759969 CRNGREPNVRDMEC-UHFFFAOYSA-N 405.502 3.110 0 40 HGAB Cc1cc(COC(=O)c2csc(S(=O)(=O)N3CCc4ccccc4C3)c2)on1 32866063 IZNHCPZOTDXZJT-UHFFFAOYSA-N 418.496 3.149 0 40 HGAB Cc1cc(C(=O)NC2C[C@@H]3CC[C@H](C2)N3C)c2c(C)nn(Cc3ccccc3)c2n1 36616374 CEYSAWSPZXKTFY-IHWFROFDSA-N 403.530 3.451 0 40 HGAB COc1ccc(Cl)cc1S(=O)(=O)NCCCN1CCO[C@@H](c2ccccc2)C1 36700331 KCPQEHMMCRCHMB-LJQANCHMSA-N 424.950 3.091 0 40 HGAB CC1CCN(C(=O)CCc2nnc3c4cc(-c5ccc(F)cc5)nn4ccn23)CC1 38653918 KUZAAXSWLZPBGW-UHFFFAOYSA-N 406.465 3.374 0 40 HGAB CC(C)Cc1ccc(C(=O)C2CCN([C@@H](C)C(=O)NC[C@H]3CCCO3)CC2)cc1 40105853 ZEIOQYRCIKDMOT-PGRDOPGGSA-N 400.563 3.464 0 40 HGAB COc1ccc(S(=O)(=O)NCCSCc2ccccc2)cc1N1CCCC1=O 44847048 BYOWWUBSSNZNEN-UHFFFAOYSA-N 420.556 3.034 0 40 HGAB CC[C@H]1CCCCN1CCCNS(=O)(=O)c1ccc(N2CCCC2=O)c(C)c1 44880062 RLTUPLOBBKCDDE-SFHVURJKSA-N 407.580 3.055 0 40 HGAB Cc1ccc(NC(=O)Cn2nc3c(Oc4ccccc4C)nccn3c2=O)cc1F 49008635 QMKOIBSBIDXGEP-UHFFFAOYSA-N 407.405 3.078 0 40 HGAB O=C(Cn1c(=O)n(CCc2ccccc2)c(=O)c2sccc21)c1ccc(F)cc1 57486228 XMAHAPXXSHIQSQ-UHFFFAOYSA-N 408.454 3.489 0 40 HGAB CCN(CC)[C@H](CNC(=O)N1CCC(C(=O)Nc2ccccn2)CC1)CC(C)C 58161812 XWFCYBOLOOXYSF-IBGZPJMESA-N 403.571 3.198 0 40 HGAB COc1ccc(-c2csc3ncc(C(=O)Nc4ccc(OC)nc4)c(=O)n23)cc1 61718038 LRZMVZOMIUKUMW-UHFFFAOYSA-N 408.439 3.088 0 40 HGAB CCC(CC)C(=O)N1CCO[C@@](Cc2cccc(-c3ccncc3)c2)(C(=O)N(C)C)C1 72389072 KYUDWBSVHOVFMQ-RUZDIDTESA-N 423.557 3.413 0 40 HGAB C[C@H]1CCCN(C(=O)c2csc(-c3cnn(C)c3)n2)[C@@H]1CNC(=O)OC(C)(C)C 78992198 XJUZXZPWXCEBQE-XJKSGUPXSA-N 419.551 3.309 0 40 HGAB O=C1N[C@@H]2[C@H](CCCCC(=O)N3CCn4cccc4[C@H]3c3ccccc3)SC[C@@H]2N1 84525627 RDCRVQLNRFADHQ-XODARUQUSA-N 424.570 3.146 0 40 HGAB CCN(CC)C(=O)c1ccc(S(=O)(=O)NC[C@@H](C[C@H](C)O)c2ccccc2)cc1 84771019 SROHYENHVGFKTM-FXAWDEMLSA-N 418.559 3.002 0 40 HGAB CCn1c(SCC(=O)NCC(=O)Nc2c(C)cc(C)cc2C)nc2cnccc21 89305541 OGOFWWXIVNPXGB-UHFFFAOYSA-N 411.531 3.223 0 40 HGAB O=C(C[C@H]1CC2(CCN(C(=O)c3cnccn3)CC2)c2ccccc21)NC1CCC1 96052776 CVIDGJOAOQMHAJ-KRWDZBQOSA-N 404.514 3.197 0 40 HGAB CN(C)C(=O)C[C@@H]1CC2(CCN(S(=O)(=O)c3ccccc3)CC2)c2ccccc21 96242027 HSTYBTDEGLZVAP-GOSISDBHSA-N 412.555 3.375 0 40 HGAB O=C(Cn1nc(-c2ccc3ccccc3c2)ccc1=O)NC[C@H]1CC[C@H](C(=O)O)CC1 101687970 LZFWSCFRJAHPJZ-MAEOIBBWSA-N 419.481 3.071 0 40 HGAB COc1ccc(CCNc2ccc(C(=O)O)cc2S(=O)(=O)NC2CCCC2)cc1 217444980 ZYAKROGUFPVTAE-UHFFFAOYSA-N 418.515 3.269 0 40 HGAB O=C(O)c1ccc(NCc2ccco2)c(S(=O)(=O)NCCc2ccccc2)c1 217483384 YESJVWHFKCKHIP-UHFFFAOYSA-N 400.456 3.111 0 40 HGAB CNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN1C(=O)c2cccc3cccc1c23 222467201 HJFUXAFTDOPZPO-KRWDZBQOSA-N 415.493 3.272 0 40 HGAB Cc1cccc(N(CCCC(=O)Nc2ccc3c(c2)OCCO3)S(C)(=O)=O)c1C 222631648 SWJMCMZTXWTDHE-UHFFFAOYSA-N 418.515 3.260 0 40 HGAB C[C@H](C(=O)NCc1ccncc1)N(Cc1ccc(F)cc1)C(=O)COc1ccccc1 222929748 ZGPFIZCXGPQGEC-GOSISDBHSA-N 421.472 3.333 0 40 HGAB COCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccccc1OC 222999674 YZCQMJLFEBAUCF-SFTDATJTSA-N 408.527 3.500 0 40 HGAB CCC(=O)N(Cc1ccc(F)cc1)[C@H](Cc1ccccc1)C(=O)NC[C@@H]1CCCO1 223194883 CNOLLPDZNFXUIT-FCHUYYIVSA-N 412.505 3.471 0 40 HGAB CC[C@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CCc1ccc2c(c1)OCCO2 223235953 YCVROKFWNBONFS-LJQANCHMSA-N 414.477 3.083 0 40 HGAB COc1cc2c(cc1S(=O)(=O)NCCCN1CCc3ccccc31)CCCC2 223509820 JZJSHVWQBLMFMQ-UHFFFAOYSA-N 400.544 3.305 0 40 HGAB CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(SC)c(NC(C)=O)c2)cc1 223576066 MEMRNHPSJTZNLH-UHFFFAOYSA-N 408.501 3.344 0 40 HGAB COc1ccc(S(=O)(=O)NCCOc2cc(C)ccc2C)cc1Br 224003055 QIUGAWUPRTVQMU-UHFFFAOYSA-N 414.321 3.432 0 40 HGAB COc1ccc(S(=O)(=O)NC(C)(C)C(=O)Nc2ccc(OC)c(Cl)c2)cc1 225957950 NCWOUVCHOFDUEK-UHFFFAOYSA-N 412.895 3.053 0 40 HGAB C[C@H](C(=O)Nc1ccc(N2CCCCC2)c(F)c1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 253372458 FKTFUYNLGPEGAQ-SKINNJBASA-N 413.493 3.174 0 40 HGAB CC(=O)c1ccc(S(=O)(=O)N2C[C@@H]3CCC[C@@](O)(c4cccc(F)c4)[C@H]3C2)cc1 253385318 SFNBNXWELRUCGK-BULFRSBZSA-N 417.502 3.337 0 40 HGAB CC(=O)N1[C@@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)N2C(=O)c1ccnn1C 257330686 XPMMGSHPTGINFR-QMDPOKHVSA-N 406.530 3.035 0 40 HGAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)NC[C@@H]3CCCO3)ccc2Cl)cc1 408547927 OPVSBLLNDCPXEF-INIZCTEOSA-N 408.907 3.358 0 40 HGAB CCNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1cc(Cl)ccc1Cl 408588178 CVMSNGQBPUHDKP-HNNXBMFYSA-N 401.315 3.019 0 40 HGAB CC(C)c1ccc(NC(=O)[C@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1 408702220 AGYNJYXFOPHKNY-HNNXBMFYSA-N 418.515 3.374 0 40 HGAB CC(C)N1C(=O)S/C(=C\c2cc(Br)ccc2OCC(=O)O)C1=O 409062525 WEFQWDGZMCAZLY-SDQBBNPISA-N 400.250 3.357 0 40 HGAB COC(=O)C(=Cc1cc(Cl)ccc1OCc1ccc(C(=O)O)cc1)C(=O)OC 409074927 OKSQSFIMVUKAMC-UHFFFAOYSA-N 404.802 3.347 0 40 HGAB COCCN1C(=O)S/C(=C\c2cc(Br)c(OC)c(OC)c2)C1=O 409144075 PFGIBUYNJIMBIX-WQLSENKSSA-N 402.266 3.149 0 40 HGAB Cc1cc(C)cc(-n2nc(C(=O)N3CCn4c(nnc4C(F)(F)F)C3)cc2C)c1 537466588 BVGPTLPLZOGUKW-UHFFFAOYSA-N 404.396 3.064 0 40 HGAB CN(C)c1cccc(C(=O)N2CC[C@H](c3ccccc3Cl)S(=O)(=O)CC2)c1 575415092 ZQLYSXMQBWZBPD-LJQANCHMSA-N 406.935 3.408 0 40 HGAB Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)NCc3nncn3-c3ccccc3)c12 642248650 FFWXIPDMNDNPNB-UHFFFAOYSA-N 423.480 3.454 0 40 HGAB O=C(NCC12CCCN1CCC2)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 684848814 YPNIUVXEDJWCSC-UHFFFAOYSA-N 410.967 3.171 0 40 HGAB COC(=O)c1cccc2c1N(C(=O)c1ccc(CN3CCCCC3)o1)[C@@H](C)C(=O)N2 1584152021 JTVIREYSSNHJPF-AWEZNQCLSA-N 411.458 3.040 0 40 HGAB CC(C)(CNC(=O)c1cc2c(Br)ccc(Cl)c2[nH]1)N1CCOCC1 1587078021 OICWQECSJMRFEW-UHFFFAOYSA-N 414.731 3.424 0 40 HGAB CC(C)c1nc2ccccc2n1C1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 1889005234 DIDRUNLMAXUQKZ-UHFFFAOYSA-N 413.499 3.177 0 40 HGAB O=C(CSc1nnc(-c2ccc(F)cc2)o1)Nc1ccccc1N1CCOCC1 780924 RUEPUZGRJKJQNK-UHFFFAOYSA-N 414.462 3.443 0 40 HGAB O=C(Nc1ccc(F)c(Cl)c1)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 1431578 QGOVVFWCQSPAEN-MRXNPFEDSA-N 400.834 3.410 0 40 HGAB COc1ccc([C@H]2C[C@@H](c3ccc(F)cc3)n3nc(N4C(=O)CCC4=O)nc3N2)cc1 2427298 YYELQKKSGFZIGL-MSOLQXFVSA-N 421.432 3.226 0 40 HGAB NC(=O)CSc1nnc(-c2ccccc2Br)n1Cc1ccccc1 3373158 ZJIUDZQSGPEEQH-UHFFFAOYSA-N 403.305 3.333 0 40 HGAB CCC[C@H]1CCc2c(sc(NC(=O)[C@H]3[C@@H](C(=O)O)[C@H]4CC[C@@H]3C4)c2C(N)=O)C1 4019448 JCIATHCRWRGVQJ-GNNBREFNSA-N 404.532 3.437 0 40 HGAB CCOc1ccc(NC(=O)CSc2nc3c(c(=O)n2CC)S[C@@H](C)C3)cc1 4107868 YLKFAARGXJLBOR-LBPRGKRZSA-N 405.545 3.429 0 40 HGAB CCCN(CCC)S(=O)(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)cc1 4975765 RKSLLPKFWOHZET-INIZCTEOSA-N 423.579 3.083 0 40 HGAB Cc1nn2c(-c3ccc(S(=O)(=O)N4CCCCCC4)o3)nnc2c2ccccc12 5267181 UUTSNTVCKNPXNU-UHFFFAOYSA-N 411.487 3.411 0 40 HGAB CC[C@@H]1CCc2sc(-c3nnc(S[C@H](C(=O)NC(N)=O)C(C)C)n3C)cc2C1 5776380 IVQJXMOIPSOYAD-ABAIWWIYSA-N 421.592 3.370 0 40 HGAB Cc1nnc(SCC(=O)Nc2ccc(N3CCCC3=O)cc2)n1Cc1ccccc1 7112686 SAFDZQBFFLZCIX-UHFFFAOYSA-N 421.526 3.492 0 40 HGAB CCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(F)c(Cl)c2)c(C)c1 7604550 UUOLAFQDMGEQHM-UHFFFAOYSA-N 414.886 3.493 0 40 HGAB C[C@@]1(c2ccc3c(c2)OCCO3)NC(=O)N(Cc2coc(-c3cccs3)n2)C1=O 7777908 RKIRSMKQLLJPKI-FQEVSTJZSA-N 411.439 3.142 0 40 HGAB Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)cc1F 7961573 BMWVRDREUZWTLA-UHFFFAOYSA-N 416.518 3.160 0 40 HGAB Cc1ccc(-n2nc(C)cc2NC(=O)CSc2nnnn2Cc2ccccc2)cc1 8324904 ZBQUCMDLMFVGHI-UHFFFAOYSA-N 419.514 3.255 0 40 HGAB C[C@@H](OC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)C(=O)Nc1ccc(F)cc1Cl 8760389 HCHQPDLVYBXROM-HIFRSBDPSA-N 418.852 3.398 0 40 HGAB Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)N[C@@H](C)CCc2ccccc2)c(C)c1 9227401 VQJQUGUROYYUOA-IBGZPJMESA-N 402.560 3.370 0 40 HGAB COc1ccc(C(=O)N2CCc3sccc3[C@H]2C)cc1S(=O)(=O)N1CCCC1 9314946 YSWDLFAHBMDBIY-CQSZACIVSA-N 420.556 3.301 0 40 HGAB CCCCCNc1nc2c(c(=O)n(Cc3ccc(Cl)cc3Cl)c(=O)n2C)n1C 9456326 SMFDCRPFJGIWEM-UHFFFAOYSA-N 424.332 3.391 0 40 HGAB O=C(Nc1ccc(Cl)cc1F)[C@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1 9723615 XLGWSHKGTVZIRF-LBPRGKRZSA-N 421.881 3.279 0 40 HGAB COc1ccc(N([C@@H](C)C(=O)Nc2ccc(F)cc2)S(C)(=O)=O)cc1Cl 10313955 IRDHUWBGDVUIHV-NSHDSACASA-N 400.859 3.281 0 40 HGAB CN(C)S(=O)(=O)c1cccc(C(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)c1 11071621 UOMUEMWTQBSTNE-UHFFFAOYSA-N 409.511 3.348 0 40 HGAB C[C@@H]1CN(C(=O)c2cc(S(=O)(=O)N(C)Cc3ccccc3)ccc2Cl)CCO1 11495941 BCMXUYNUUGMNPO-OAHLLOKOSA-N 422.934 3.022 0 40 HGAB CCCNC(=O)CN1N=C(c2ccc(OC)cc2)Cn2c(cc3sccc32)C1=O 12113595 QLFXLWPPMZMUNW-UHFFFAOYSA-N 410.499 3.098 0 40 HGAB CCOc1ccc(CC(=O)N2CCC(c3noc(-c4cnc(C)cn4)n3)CC2)cc1 12187433 PNZJYUKWWWFKHJ-UHFFFAOYSA-N 407.474 3.182 0 40 HGAB Cc1cnc(-c2nc([C@@H]3CCCN(C(=O)[C@@H](C)Oc4ccc(F)cc4)C3)no2)cn1 12187792 UIEMIIQDSYPBAN-HUUCEWRRSA-N 411.437 3.148 0 40 HGAB CCOc1ccc(CC(=O)N2CCC3(CC2)CNC(=O)c2cc(C)ccc2O3)cc1 12225639 MRWIOMSDTQWMDY-UHFFFAOYSA-N 408.498 3.120 0 40 HGAB C[C@@H](C(=O)Nc1ccc(F)c(F)c1)N1CCC(C(=O)Nc2ccccc2O)CC1 12743719 XISUZNQPSCVJFF-ZDUSSCGKSA-N 403.429 3.348 0 40 HGAB CCCCc1nnc(NC(=O)Cc2c(C)nc3nc(C(F)(F)F)nn3c2C)s1 12773244 AZFRHNTYBLEYPZ-UHFFFAOYSA-N 413.429 3.135 0 40 HGAB CCOc1ccc(C(=O)CCC(=O)N(CC)CC(=O)NCc2cccs2)cc1 12889505 CITWCDOLYYMXSX-UHFFFAOYSA-N 402.516 3.275 0 40 HGAB Cc1c(Cl)cccc1NC(=O)CNC(=O)[C@@H]1CC(=O)N([C@H](C)c2ccccc2)C1 12919679 MLDUSTUFMLXWPM-NVXWUHKLSA-N 413.905 3.313 0 40 HGAB CN(CC(=O)Nc1ccccc1Br)Cc1nc(O)c2sccc2n1 12939226 PKIBYLZRQDAUEG-UHFFFAOYSA-N 407.293 3.230 0 40 HGAB CC(C)Oc1ccc(C(=O)NCC(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1 13063223 YEZSLXUHVLBGPZ-UHFFFAOYSA-N 415.921 3.206 0 40 HGAB COc1cc(CCC(=O)N2CCc3nc4scc(C)c4c(=O)n3CC2)ccc1C 13227182 ZPIMCFMXPUKRKP-UHFFFAOYSA-N 411.527 3.101 0 40 HGAB COc1cc(C(c2cc(OC)c3c(c2)OCO3)[C@H]2COC(=O)[C@@H]2C)cc2c1OCO2 13462881 UYKJDDXZIMXQNB-RISCZKNCSA-N 414.410 3.102 0 40 HGAB biogenic,in-vitro CS(=O)(=O)N1CCC[C@@H](C(=O)Nc2nc(-c3cc4ccccc4o3)cs2)C1 13790667 HCZNQLOTRBUOBZ-CYBMUJFWSA-N 405.501 3.166 0 40 HGAB CC(C)c1ccc(NC(=O)CCNC(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)cc1 16042619 AKCNARCKRKZAHX-PKOBYXMFSA-N 422.529 3.129 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(CCC(=O)Nc2ccc3c(c2)OCO3)cc1 17301920 PEJPXNKEKQXEHG-UHFFFAOYSA-N 404.488 3.017 0 40 HGAB CC(C)(C)C(=O)N1CCC[C@@H]1c1cc2nc3c(c(O)n2n1)CN(C1CCCC1)CC3 19081315 JFELEIORKKRJFR-LJQANCHMSA-N 411.550 3.445 0 40 HGAB Cc1nc([C@H](Cc2c[nH]c3ccccc23)NC(=O)Cc2ccccn2)cc(N(C)C)n1 19240877 MGBWLBYGGFXRTF-NRFANRHFSA-N 414.513 3.370 0 40 HGAB CC(C)Nc1ncc(-c2ccccn2)c(C2CCN(C(=O)c3ccn(C)n3)CC2)n1 19450301 LDLRCNGJTSYVTH-UHFFFAOYSA-N 405.506 3.112 0 40 HGAB C[C@H](NC(=O)CN1CCN([C@H](c2ccccc2)c2nccn2C)CC1)c1ccccc1 19459471 ZORJNFKYLPPABE-GBXCKJPGSA-N 417.557 3.005 0 40 HGAB CCCc1ncc(CN2CCC(c3ncc(Cl)cc3S(C)(=O)=O)CC2)cn1 19525738 PIFGOUNZNCBOBQ-UHFFFAOYSA-N 408.955 3.261 0 40 HGAB CCN1CCN(C(=O)Cn2cccn2)C[C@@H](Cc2ccc(-c3cccs3)cc2)C1=O 19527418 GWICSQGKSAGFEO-HXUWFJFHSA-N 422.554 3.161 0 40 HGAB CCNC(=O)[C@]1(Cc2cccc(-c3cccs3)c2)CCN(C(=O)c2cc[nH]n2)C1 19528993 NSPIFLVGXUKHLK-QFIPXVFZSA-N 408.527 3.349 0 40 HGAB COc1ccc(OC)c(CN2CCC[C@@H](c3nc(-c4ccccn4)cc(=O)[nH]3)C2)c1 19551537 FONXKWCNFFUKNO-MRXNPFEDSA-N 406.486 3.229 0 40 HGAB COc1ccc(NC(=O)C[C@H]2C(=O)N(C[C@@H]3CCCO3)c3nc4ccccc4n32)cc1 19817521 RDKDDEUEQQYNOC-PXNSSMCTSA-N 420.469 3.140 0 40 HGAB CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)CCN1CCOCC1 19902607 BFOXAAYOUPZXAN-UHFFFAOYSA-N 418.515 3.261 0 40 HGAB COC(=O)Cc1c(C)c2cc(Cl)c3c(c2oc1=O)CN(Cc1ccccn1)CO3 20591644 YRXLGDCVRPGNPV-UHFFFAOYSA-N 414.845 3.217 0 40 HGAB CCOC(=O)[C@](NCc1ccccc1)(NC(=O)c1c(F)cccc1F)C(F)(F)F 20792776 MZDNSAYTPVCAID-SFHVURJKSA-N 416.346 3.306 0 40 HGAB CC(C)(C)c1ccc(CN2CCN(CC(=O)Nc3cccc4nonc34)CC2)cc1 22923372 PAKDXMCTYYHLLX-UHFFFAOYSA-N 407.518 3.277 0 40 HGAB CC[C@@H]1CN(Cn2nc(-c3ccc(F)cc3)n(C[C@@H]3CCCO3)c2=S)CCO1 23042795 ZKZVUCVHOHJPBF-MSOLQXFVSA-N 406.527 3.467 0 40 HGAB COc1ccc([C@@H](CNC(=O)C2=NN(C)C(=O)CC2)c2c[nH]c3ccccc23)cc1 23573476 UJJXEEIJHWCMON-GOSISDBHSA-N 404.470 3.033 0 40 HGAB Cc1cccc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccccc2F)n1 24987047 FVEWWNUUWOMDLK-SFHVURJKSA-N 413.474 3.057 0 40 HGAB O=C(CN1CCN(C(=O)c2ccccc2)CC1)Nc1ccccc1OCC(F)(F)F 25044891 AAXGUJPDPKPSHV-UHFFFAOYSA-N 421.419 3.024 0 40 HGAB Cc1ccc(NC(=O)CN2CCN([C@H](C)c3nnc(-c4ccccc4)o3)CC2)cc1 26297106 ZHBMSUOOYUFCSR-GOSISDBHSA-N 405.502 3.362 0 40 HGAB C[C@@H](Sc1cc(C(F)(F)F)nc2ccccc12)C(=O)N[C@H]1CCS(=O)(=O)C1 31424223 IGEWCLFJFRBFKE-MNOVXSKESA-N 418.462 3.038 0 40 HGAB O=C(N[C@@H]1CCN(Cc2ccccc2)C1)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 32873758 SQLQDFGOPBPPBE-RBBKRZOGSA-N 409.505 3.069 0 40 HGAB NC(=O)C1CCN(CCCCNC(=O)c2csc(-c3ccc(Cl)cc3)n2)CC1 32915970 GBQHMNQYLIYYCN-UHFFFAOYSA-N 420.966 3.171 0 40 HGAB O=C(CC[C@H]1NC(=O)NC1=O)NC[C@@H](c1ccccc1Cl)c1c[nH]c2ccccc12 33029192 SEHKAWAOFJNVSS-HNAYVOBHSA-N 424.888 3.058 0 40 HGAB C[C@H](Oc1ccc(Cl)cc1)C(=O)N1CCN(CC(=O)Nc2cccc(F)c2)CC1 36476273 GNLOOIMMGCCSEJ-HNNXBMFYSA-N 419.884 3.029 0 40 HGAB CN(C)C(=O)N1CCN(c2nc(-c3cccnc3)nc3sc4c(c23)CCCC4)CC1 40091216 PNNFBGBZGUQMLY-UHFFFAOYSA-N 422.558 3.436 0 40 HGAB O=C(NCCC(=O)N1CCN(c2ccc(F)cc2)CC1)c1ccc2c(c1)CCCC2 40146927 VOXGOBLSVSLITE-UHFFFAOYSA-N 409.505 3.173 0 40 HGAB CCOc1ccccc1CNC(=O)CN(c1cc(Cl)ccc1C)S(C)(=O)=O 44948251 SMRWHPCOHDUFEM-UHFFFAOYSA-N 410.923 3.130 0 40 HGAB COc1ccc([C@H]2CCCN2CN2C(=O)NC3(CCCCCC3)C2=O)c(OC)c1 52583176 GBLAGLIGDLTNGQ-GOSISDBHSA-N 401.507 3.443 0 40 HGAB Cc1ccccc1C1(CNC(=O)c2ccc(-n3c(C)c[nH]c3=O)cc2)CCOCC1 57266898 JPDZGWPFHGTJME-UHFFFAOYSA-N 405.498 3.261 0 40 HGAB O[C@@H](CN1CCN(CCc2ccccn2)CC1)Cn1c2ccccc2c2ccccc21 61721387 GJICURDTOJFTCU-QFIPXVFZSA-N 414.553 3.411 0 40 HGAB CC[C@@H](C)NC(=O)[C@@H]1CSCN1C(=O)/C=C/c1ccc(OC(F)F)c(OC)c1 65591127 DGFLHVQEXWGZHG-AGMJWKPSSA-N 414.474 3.126 0 40 HGAB O=C(NC[C@H]1CCCO1)c1cc2ccc(O)cc2o/c1=N\c1ccc2c(c1)OCO2 67298539 NMOJXMLYQZATBI-RNKPHZFSSA-N 408.410 3.008 0 40 HGAB CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)NCCc1ccc(F)cc1 72304001 WMJOYXXDFOTSDH-UHFFFAOYSA-N 400.498 3.340 0 40 HGAB CC(C)(O)C(=O)N1CC[C@H](c2cc(CCOc3cccc(C(F)(F)F)c3)[nH]n2)C1 72371617 SNJXFXCOMBDIKZ-ZDUSSCGKSA-N 411.424 3.137 0 40 HGAB CC(=O)N1CCC(N2CC[C@H](c3cc(CCOc4ccccc4Cl)[nH]n3)C2)CC1 72371677 WLELJOHRGWUQHE-KRWDZBQOSA-N 416.953 3.485 0 40 HGAB C[C@H]1CCCN(CCC(=O)N2CCC(c3ccc(C(=O)NCC4CC4)cn3)CC2)C1 72374410 FGIQTAOUFKWNKU-SFHVURJKSA-N 412.578 3.049 0 40 HGAB Cc1cccnc1Nc1cccc([C@@H]2CCCN(CC(=O)NCc3ccccn3)C2)n1 72376033 SYZBBROGPPMUMK-LJQANCHMSA-N 416.529 3.419 0 40 HGAB C[C@@](O)(CNC(=O)c1cc(Br)ccc1Cl)c1ccc2c(c1)OCO2 77184547 XDKSACJZEFAFTJ-QGZVFWFLSA-N 412.667 3.469 0 40 HGAB CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@]12NC(=O)N(Cc1cccc(F)c1)C2=O 95405514 QVLADQDXUGMXDM-YCRPNKLZSA-N 405.470 3.331 0 40 HGAB COC(=O)c1nc(NC(=O)[C@@H](CC(C)C)N2Cc3ccccc3C2=O)sc1C 95480099 UBZSHQZYLNIANL-OAHLLOKOSA-N 401.488 3.247 0 40 HGAB O=C(Nc1cccnc1)[C@H]1CCC2(CCN(C(=O)NCc3cccc(F)c3)CC2)O1 96087293 NYWVHOPNVNTROM-LJQANCHMSA-N 412.465 3.083 0 40 HGAB Cc1ccc(N2C(=O)[C@@H]3[C@@H](N=NN3Cc3nc(-c4ccccc4)no3)C2=O)cc1Cl 101262190 HSZGVDYKASHYPC-SJORKVTESA-N 422.832 3.192 0 40 HGAB Cc1nn(Cc2noc(C(=O)N[C@@H](C)[C@H]3C[C@@H]4CC[C@@H]3C4)n2)c(C)c1Br 101581604 VSNPFOQHCFICOJ-KQURDKLPSA-N 422.327 3.248 0 40 HGAB O=C(O)[C@@H]1[C@@H](C(=O)Nc2ccn(Cc3ccc(Br)cc3)n2)[C@H]2C=C[C@H]1C2 102023133 DRWYMIFCSGWFGX-PYTWLRIVSA-N 416.275 3.155 0 40 HGAB CCOc1ccc(CNC(=O)[C@H](CC)N(c2ccc(F)cc2)S(C)(=O)=O)cc1 113950130 NUDOGIIKEDLCFL-IBGZPJMESA-N 408.495 3.085 0 40 HGAB CC[C@H](NC(=O)[C@@H]1CN(S(=O)(=O)CC)c2ccccc2O1)c1ccc(C)cc1C 218794775 XGCMXWDJZROYHI-RXVVDRJESA-N 416.543 3.488 0 40 HGAB CCOC(=O)c1ccc(NC(=O)[C@@H](C)N(c2cccc(C)c2)S(C)(=O)=O)c(C)c1 220143457 KQCZGJLSICULFV-MRXNPFEDSA-N 418.515 3.273 0 40 HGAB CCOc1ccc(CCCNC(=O)c2ccc(C)c(N(C)S(C)(=O)=O)c2)cc1 222463339 UXHJYZBXPZOHBM-UHFFFAOYSA-N 404.532 3.152 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(CCC(=O)N(C)Cc2ccccc2F)cc1 222883176 NIUJKZQJIPEOFH-UHFFFAOYSA-N 406.523 3.447 0 40 HGAB COc1ccc(S(=O)(=O)N(C)Cc2ccccc2Cl)cc1C(=O)NC(C)C 223881706 ULADSVRNHXRCHV-UHFFFAOYSA-N 410.923 3.308 0 40 HGAB CC[C@@H](NC(=O)CCc1cc(S(=O)(=O)N(C)C)ccc1OC)c1ccccc1C 225504972 NQTKFVFQHHBVCA-HXUWFJFHSA-N 418.559 3.454 0 40 HGAB CCn1c(=O)sc2cc(S(=O)(=O)Nc3ccccc3C(=O)NC(C)C)ccc21 225690036 YAWPUWWJJJWJOS-UHFFFAOYSA-N 419.528 3.022 0 40 HGAB O=C(N1CCC(n2c(=O)[nH]c3ccccc3c2=O)CC1)C1(c2cccs2)CCCC1 225759022 TWTQTQDGEAOGHO-UHFFFAOYSA-N 423.538 3.427 0 40 HGAB COC(=O)[C@@H]1CN(C(=O)c2ccccc2Nc2nc(C)cc(C)n2)c2ccccc2O1 225916241 XNYUBNFNSAOOQV-FQEVSTJZSA-N 418.453 3.418 0 40 HGAB Cc1nc(N2CCC(NC(=O)c3c(C)nc4ccccn34)CC2)cc(C(F)(F)F)n1 253401188 MPASOASNXICQQT-UHFFFAOYSA-N 418.423 3.159 0 40 HGAB O=C1COc2ccccc2C/C=C/C[C@]2(CCCN(C(=O)c3ccccn3)C2)CN1 257232843 GMQRTNDNCNNZIE-JURIHQFCSA-N 405.498 3.002 0 40 HGAB COCCC(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4cccc(OC)c4O)OCC[C@@]31C2 257268737 MMYGBBGMKCMTDZ-YKRPYPKWSA-N 403.519 3.436 0 40 HGAB COc1ccc(-c2cccc([C@@H]3CN(C(=O)CCn4nccc4C)CCO3)n2)cc1 257318748 VPFCEOZHYCUZGJ-QFIPXVFZSA-N 406.486 3.252 0 40 HGAB CCOc1ccc(N([C@@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)S(C)(=O)=O)cc1 260408811 MWPYMHDSKBLMLY-CABCVRRESA-N 408.495 3.256 0 40 HGAB Cc1nc(C(=O)N2CCN(c3nccn4c(-c5ccsc5)cnc34)CC2)cs1 306128294 GWJQPODVDVREED-UHFFFAOYSA-N 410.528 3.185 0 40 HGAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2cccc(F)c2)cc1Cl 408600416 AWJGOGTVFZBRQZ-LLVKDONJSA-N 400.859 3.183 0 40 HGAB O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)CCC1=O)c1ccccc1 408644629 HCSRDRPJMPFXOK-UHFFFAOYSA-N 405.237 3.383 0 40 HGAB CC(C)Oc1ccc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc1Cl 409148147 XKJZPJVEPRCCEK-MHWRWJLKSA-N 424.906 3.022 0 40 HGAB Cc1cc(C)cc(S(=O)(=O)N2CC3(C[C@H](OCc4ccccn4)CS3)C2)c1 575405012 QCJOHOYWOJMINF-SFHVURJKSA-N 404.557 3.164 0 40 HGAB O=C(Cn1ccc2ccccc21)N1CCC[C@H](Oc2ncc(Br)cn2)C1 575614346 ZSRPGLNQRWDOHS-INIZCTEOSA-N 415.291 3.264 0 40 HGAB COC(=O)c1ccc(S(=O)(=O)NC[C@@H](O)c2ccc(-c3ccsc3)s2)cc1 618255330 AUOYAVWUOVACHJ-OAHLLOKOSA-N 423.537 3.275 0 40 HGAB COC(=O)[C@@H](C)[C@H](NC(=O)[C@@H](CCSC)NC(=O)OC(C)(C)C)c1ccccc1 1629587838 RLUVXDJCVNHQRN-UAGQMJEPSA-N 424.563 3.299 0 40 HGAB CN1CCN(C(=O)N2CCC(c3ccc4cc(-c5ccncc5)cnc4n3)CC2)CC1 1888929347 UFLLGTHHOLSCEC-UHFFFAOYSA-N 416.529 3.239 0 40 HGAB Cc1cc(F)ccc1S(=O)(=O)N1CCC[C@@](O)(COc2ccc(F)cc2)CC1 2037912612 QGNPCHUHACWHSK-FQEVSTJZSA-N 411.470 3.258 0 40 HGAB COc1ccccc1C(=O)N1CCN(C(=O)COc2ccc3ccccc3c2)CC1 893113 PGQIHJDKUPQNBQ-UHFFFAOYSA-N 404.466 3.212 0 40 HGAB CCc1ccccc1NC(=O)COC(=O)[C@@H](CC(C)C)N1C(=O)c2ccccc2C1=O 1916975 INHLGVBLSVQRNJ-HXUWFJFHSA-N 422.481 3.442 0 40 HGAB O=C(Cc1ccc(F)cc1)Nc1c2c(nn1-c1ccc(Cl)cc1)CS(=O)(=O)C2 3009025 PGVNGGUBOZRRIS-UHFFFAOYSA-N 419.865 3.274 0 40 HGAB O=C(NC1CCCCCCC1)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 3236430 GXWQBCKFYNDMIW-UHFFFAOYSA-N 414.955 3.204 0 40 HGAB CC(C)(C)C1CCC(OC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CC1 3258247 JWZZENLCUJJYPX-UHFFFAOYSA-N 409.548 3.469 0 40 HGAB CCCN(CC(=O)Nc1ccc(OC)cc1OC)S(=O)(=O)/C=C/c1ccccc1 3440261 SZBRDCVKPTUPNL-WYMLVPIESA-N 418.515 3.355 0 40 HGAB CCc1ccc(OCC(=O)N(Cc2ccc(Cl)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 4183051 XSDHDCPYWNRRJY-LJQANCHMSA-N 421.946 3.497 0 40 HGAB O=C(Oc1coc(CSc2ncccn2)cc1=O)c1cc2ccccc2oc1=O 4377376 ZEKQYIAMKBBMAD-UHFFFAOYSA-N 408.391 3.048 0 40 HGAB CS(=O)(=O)c1cccc(-c2nnc(NC(=O)/C=C/c3ccccc3Cl)o2)c1 4585671 PPLOGEWUMOQRFD-MDZDMXLPSA-N 403.847 3.445 0 40 HGAB CCCCOC(=O)c1ccccc1NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 4694446 BSMJOKCAGHBMPU-UHFFFAOYSA-N 404.488 3.146 0 40 HGAB CN(C)[C@H](CNC(=O)c1oc2ccccc2c1CSc1nnc[nH]1)c1ccco1 6497347 AVFUIHYAOQWGBP-OAHLLOKOSA-N 411.487 3.469 0 40 HGAB CCCNS(=O)(=O)c1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1 6880483 PURSOYVYJKRJDL-UHFFFAOYSA-N 416.421 3.411 0 40 HGAB Cc1cc(=O)c(C(=O)NCCOc2ccc(Cl)cc2)nn1-c1ccccc1F 7116196 JTANABCZWKAKCB-UHFFFAOYSA-N 401.825 3.142 0 40 HGAB O=C(CSc1nnnn1C1CCCCC1)Nc1ccc(N2CCCC2=O)cc1 8185557 KWXCJKCOGAKANF-UHFFFAOYSA-N 400.508 3.036 0 40 HGAB C[C@H](NC(=O)COc1ccc(CCO)cc1-n1nc2ccccc2n1)c1ccccc1 8223926 UBJPYHQNWABUPX-KRWDZBQOSA-N 416.481 3.212 0 40 HGAB O=C(CNC(=O)c1ccc2c(c1)OCO2)NCc1ccc(-c2ccc(Cl)cc2)o1 8342700 BMXAPYBSQDUFFH-UHFFFAOYSA-N 412.829 3.375 0 40 HGAB COc1cccc(NC(=O)COC(=O)CCCC(=O)Nc2cccc(C(C)=O)c2)c1 8417010 QNVVFLZWRLBRNM-UHFFFAOYSA-N 412.442 3.189 0 40 HGAB COc1ccc(-c2nonc2NC(=O)c2nn(-c3ccc(Cl)cc3)ccc2=O)cc1 9305096 LHYUZZFBLZIYQE-UHFFFAOYSA-N 423.816 3.197 0 40 HGAB Cc1cccc(-n2c(SCc3ccc4c(c3)OCO4)nnc2N2CCOCC2)c1 9378915 NKPPLNTYXVPDOF-UHFFFAOYSA-N 410.499 3.433 0 40 HGAB CN(C)S(=O)(=O)N(CC(=O)Nc1ccc(Cl)cc1Cl)c1ccc(F)cc1 9694882 BJJSCHAWFBEBMI-UHFFFAOYSA-N 420.293 3.384 0 40 HGAB CC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)/C=C/c2ccc(OC)c(OC)c2)cc1 10041970 FSQGPIKWAIREBD-COSNYCCFSA-N 418.515 3.433 0 40 HGAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc(SC)c2)cc1C 10301362 DELXHXQQQGAODT-UHFFFAOYSA-N 408.545 3.375 0 40 HGAB CCOc1cc(S(=O)(=O)Nc2ccccn2)c(OCC)cc1Br 11613769 SIXBBVXSMPVTKM-UHFFFAOYSA-N 401.282 3.442 0 40 HGAB Fc1ccc(CSc2nnc(N3CCOCC3)n2C[C@H]2CCCO2)c(Cl)c1 11760149 UVPFSVWZYVGTML-OAHLLOKOSA-N 412.918 3.379 0 40 HGAB Cc1ccccc1Cn1cnc2c(cnn2CCNC(=O)CCC2CCCCC2)c1=O 12072081 XAPFHNIPCHEJRG-UHFFFAOYSA-N 421.545 3.426 0 40 HGAB COc1cc2cc(N)c(C3CCN(C(=O)Cn4nc(C)cc4C)CC3)nc2cc1OC 12087958 QWDCWEJPHPPSFL-UHFFFAOYSA-N 423.517 3.054 0 40 HGAB OCCCn1cc(CN2CCc3nc(-c4ccccn4)nc(O)c3C2)c2ccccc21 12089515 DDTCBIJOHDBMDK-UHFFFAOYSA-N 415.497 3.140 0 40 HGAB O=C1NC2(CCN(C(=O)CCc3nc4ccccc4s3)CC2)Nc2ccccc21 12145761 ZEDPZNQALHHTNJ-UHFFFAOYSA-N 406.511 3.403 0 40 HGAB CNS(=O)(=O)c1ccc(C)c(C(=O)Nc2ccc3nc(C(C)(C)C)[nH]c3c2)c1 12520399 KFAFOPGYXYFHCD-UHFFFAOYSA-N 400.504 3.329 0 40 HGAB C[C@@H](NC(=O)CCNC(=O)CCC(=O)c1cccs1)c1ccc(-n2ccnc2)cc1 12520783 VMBRCILCCGCOFI-MRXNPFEDSA-N 424.526 3.280 0 40 HGAB c1csc(-c2nc(NC[C@H]3CCCO3)ncc2-c2ccnc(N3CCOCC3)n2)c1 12666842 OQRJLRFRZZKPRU-OAHLLOKOSA-N 424.530 3.090 0 40 HGAB COc1ccc(-n2nc(C)c3c2N=C(O)C[C@@H]3c2ccc(OCC(N)=O)cc2)cc1 13550921 WFBAIJHAKMKTSW-GOSISDBHSA-N 406.442 3.177 0 40 HGAB O=C(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)NCCSCc1c(F)cccc1Cl 13688811 PFIWSDXSXPFGRD-OKILXGFUSA-N 424.925 3.170 0 40 HGAB COC(=O)c1c(NC(=S)NCc2ccccc2F)sc(C(=O)N(C)C)c1C 13937122 GIOUEZDDAWTPQB-UHFFFAOYSA-N 409.508 3.171 0 40 HGAB C[C@@H](NC(=O)COC(=O)c1ccccc1I)c1cccs1 14165753 LMKMHMQKCRKKNE-SNVBAGLBSA-N 415.252 3.387 0 40 HGAB CC(=O)N[C@H](C)c1ccc(-c2csc(NC(=O)Cn3nnc4ccccc43)n2)cc1 14347013 ZLGSSMOSOMSBJL-CYBMUJFWSA-N 420.498 3.391 0 40 HGAB COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3ccoc3)ccc2OC)cc1 16226184 JOKGWJDRCVZVGK-UHFFFAOYSA-N 402.428 3.350 0 40 HGAB COC(=O)c1cc(NC(=O)c2c(F)c(F)c(OC)c(F)c2F)cc(C(=O)OC)c1 17090219 IBDPAYGBUBETIF-UHFFFAOYSA-N 415.295 3.077 0 40 HGAB C[C@H](Oc1ccccc1F)C(=O)N1CCC[C@H]([C@@H]2C[C@H](C(F)F)n3ncnc3N2)C1 19078311 YHXIIMTXBUUORZ-DARAHFNDSA-N 423.439 3.114 0 40 HGAB COc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(C)c(Cl)c4)C(=O)[C@H]3N3CCCN23)cc1 19169108 ZWKGDCTXNBEQDU-AABGKKOBSA-N 411.889 3.193 0 40 HGAB O=C(NC[C@H](c1cccnc1)N1CCOCC1)c1cc(-c2ccc(Cl)cc2)on1 19661856 GOBAGSBAFMJHNY-LJQANCHMSA-N 412.877 3.193 0 40 HGAB COc1ccc(-c2[nH]ncc2CNC(=O)c2ccc(-n3nc(C)cc3N)cc2)cc1 19717868 QFKRKSVWEQCVLJ-UHFFFAOYSA-N 402.458 3.092 0 40 HGAB COc1ccc(OC)c(-c2n[nH]c(C(=O)N3CCC[C@@H](Cn4ccnc4)C3)c2C)c1 19718134 USZLFBVCHGTJNB-INIZCTEOSA-N 409.490 3.151 0 40 HGAB CNc1cc(CN(C)C(=O)c2c(-c3ccc(C)cc3)noc2C)nc([C@@H]2CCCN2)n1 19760761 JZKAPTUUOPWIPF-SFHVURJKSA-N 420.517 3.487 0 40 HGAB COc1ccc(CC(=O)N2CCCC[C@H]2c2nc(C)ncc2C(=O)NC2CC2)cc1C 19767078 FYZRNVQWOZLOQZ-FQEVSTJZSA-N 422.529 3.291 0 40 HGAB O=C(CSc1nnnn1-c1ccc(C(=O)O)cc1)Nc1c(Cl)cccc1Cl 19852539 AFODMGVOBJWQTF-UHFFFAOYSA-N 424.269 3.398 0 40 HGAB CCOc1cccc(CNC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)c1 20048911 IFFLNCOZDQEPBD-UHFFFAOYSA-N 422.934 3.453 0 40 HGAB CCOC(=O)c1cccc(NS(=O)(=O)c2ccc(N3CCCC3=O)c(C)c2)c1 20483958 XXEISGPTJAZRHO-UHFFFAOYSA-N 402.472 3.099 0 40 HGAB Cn1cc(CCn2ccc3c(cnc4nc(C(F)(F)F)nn43)c2=O)c2ccccc21 20639031 RGYOKQJGSJYPRI-UHFFFAOYSA-N 412.375 3.192 0 40 HGAB CCOc1cc(C(=O)N2CCN(Cc3ccc(OC)c(OC)c3)CC2)ccc1OC 22130606 KWQRWNMSJALCBG-UHFFFAOYSA-N 414.502 3.069 0 40 HGAB COc1ccc(CCNC(=O)/C(=C\c2ccccc2)n2ccccc2=O)cc1OC 23157232 GNGLGWGRQIFXMO-CAPFRKAQSA-N 404.466 3.223 0 40 HGAB O=C(Nc1ccccc1C(=O)NC1CCCC1)c1ccc(Cn2ccccc2=O)o1 23754254 IZJARMGJPQZIHO-UHFFFAOYSA-N 405.454 3.414 0 40 HGAB CCc1ccc(OC[C@@H](O)Cn2nnc(-c3ccccc3Br)n2)cc1 24777417 SRXYHCCVBDEXEA-AWEZNQCLSA-N 403.280 3.105 0 40 HGAB CN(C)C(=O)[C@@H](c1ccccc1)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 24984090 YBTVWJXGKAEXLR-JOCHJYFZSA-N 408.498 3.182 0 40 HGAB Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)N1CCC[C@H]1c1cccnc1 31942477 PIYJBBGBNXTGKT-INIZCTEOSA-N 418.423 3.451 0 40 HGAB COC(=O)c1sccc1S(=O)(=O)N[C@@H](C)c1cnn(-c2ccc(F)cc2)c1C 32808827 YHKXIBUISVDDNF-NSHDSACASA-N 423.491 3.207 0 40 HGAB Cc1ccc(C)c([C@H](C)NC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)c1 32863060 NCKJBANUKDRZLI-IBGZPJMESA-N 415.559 3.222 0 40 HGAB COC(=O)[C@H](c1ccccc1Cl)N1CCN(C(=O)c2ccc(C(C)=O)s2)CC1 32882134 MUMDLFDSVBGQDD-SFHVURJKSA-N 420.918 3.276 0 40 HGAB COc1cccc(OC)c1NC(=O)CSc1nnc2c(n1)[nH]c1ccc(F)cc12 35290103 HIZNBEXOLPQPNE-UHFFFAOYSA-N 413.434 3.393 0 40 HGAB CCCCNC(=O)CC[C@H]1N=C(O)N(CCc2c[nH]c3ccc(Cl)cc23)C1=O 36585032 GGQVQJGWUWLSMU-QGZVFWFLSA-N 404.898 3.185 0 40 HGAB CCOc1ccc(NC(=O)CCn2c(=O)cc(C(F)F)c3c(C)n(C)nc32)cc1 36621552 BJUCXHLCCXKDNK-UHFFFAOYSA-N 404.417 3.409 0 40 HGAB Cc1cc(C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)ccc1-n1cnnn1 40079683 IETKKJIRJSMMDG-UHFFFAOYSA-N 410.909 3.019 0 40 HGAB CC(=O)Nc1cc(NC(C)=O)cc(C(=O)NCCCCN2C[C@@H](C)C[C@H](C)C2)c1 40146746 SLNKXYIYIKMHSW-HOTGVXAUSA-N 402.539 3.091 0 40 HGAB Cc1csc(NC(=O)CCC(=O)N2CCN(c3nsc4ccccc34)CC2)n1 40268705 COTDLTSEMYWRSA-UHFFFAOYSA-N 415.544 3.129 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@H](C)c3ccc(C)cc3)C2)cc1 44885254 OPMSFPHJQLVQTM-IEBWSBKVSA-N 416.543 3.282 0 40 HGAB Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)NC[C@H]3COCCO3)cc12 54617489 AQQDITBNFBPLLY-AWEZNQCLSA-N 405.907 3.253 0 40 HGAB CCCC[C@H](c1nnnn1CCOC)N1CCN(c2cc(Cl)ccc2C)CC1 57670053 KTJJFKJNXJDOAN-GOSISDBHSA-N 406.962 3.335 0 40 HGAB CCCOc1c(Cl)cc(/C=C/C(=O)N[C@H](Cc2ccccc2)C(N)=O)cc1OC 58009506 WLRADELWTQGFBR-QZEKMECESA-N 416.905 3.363 0 40 HGAB CCN(CC)CCOc1cc(NC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)ccc1OC 58343252 WCZFLVSNHRGBRY-KRWDZBQOSA-N 417.550 3.145 0 40 HGAB CS(=O)(=O)Cc1cccc(NC(=O)C2CCN(c3ccc(Cl)cn3)CC2)c1 58736456 ZVGLQISGFWBELS-UHFFFAOYSA-N 407.923 3.135 0 40 HGAB CCc1nc(CC(=O)Nc2cc(S(=O)(=O)C(F)(F)F)ccc2OC)cs1 60351378 XWZKRIYIPGFZMF-UHFFFAOYSA-N 408.423 3.189 0 40 HGAB O=C(COC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)Nc1ccccc1C(F)(F)F 60510416 QTAZVMOUICMQAM-GFCCVEGCSA-N 424.350 3.379 0 40 HGAB O=C(Nc1ccccc1F)[C@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1 64985333 VVYQPCHOJHDKOP-HXUWFJFHSA-N 412.442 3.421 0 40 HGAB O=C(c1ccco1)N1CCN(c2nc3c(-c4ccccc4)nnn3c3ccccc23)CC1 67263369 NJWFPGGAKMMSED-UHFFFAOYSA-N 424.464 3.500 0 40 HGAB CCCCN1C(=O)CC[C@H](C(=O)NCC2(O)CCCC2)[C@@H]1c1ccccc1OC 72284866 RGXHPWVWSVWVJO-RXVVDRJESA-N 402.535 3.196 0 40 HGAB Cc1cc(C)n2nc(CC(=O)Nc3ccc(CC[C@@H]4CCN(C)C[C@@H]4C)cc3)nc2n1 72335303 BGGZICMIEFPWTK-OXJNMPFZSA-N 420.561 3.443 0 40 HGAB Cc1ccc(-n2c(SCCCS(C)(=O)=O)nnc2-c2ccncc2)cc1C 78747787 XVMRKDXGYYUORH-UHFFFAOYSA-N 402.545 3.473 0 40 HGAB C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1CNC(=O)Nc1nnc(C2CC2)s1 78954133 AWYALKQWMMIZDG-PWSUYJOCSA-N 411.528 3.298 0 40 HGAB CC[C@H](C)N(CC(=O)OC(C)(C)C)C(=O)CS[C@@H](C)C(=O)Nc1cc(C)on1 84721872 JYLMQDJAUBQLBB-JSGCOSHPSA-N 413.540 3.012 0 40 HGAB C[C@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccccc2)C1=O)c1ccc2ccccc2c1 89905127 AUHCPOMPVWDQQI-FYSMJZIKSA-N 401.466 3.484 0 40 HGAB O=C(c1cccs1)c1ccc(CNS(=O)(=O)c2ccc3c(c2)OCCO3)s1 90610599 BVSKSBNQONMABX-UHFFFAOYSA-N 421.521 3.290 0 40 HGAB Cc1nc(-c2ccc(F)cc2)nc2c1CCN(S(=O)(=O)c1cccs1)CC2 96094534 LAZATBIHLBNGFT-UHFFFAOYSA-N 403.504 3.442 0 40 HGAB O=C(NCCn1ccc2c(Cl)cccc21)c1cc(-n2cnnn2)ccc1Cl 96117622 QFTKFNWVJGZQIO-UHFFFAOYSA-N 401.257 3.354 0 40 HGAB CC1(C(=O)N2CC[C@@]3(C2)c2ccccc2S(=O)(=O)N3Cc2ccc(F)cc2)CC1 96143139 QDLGNBQQELYSAM-JOCHJYFZSA-N 414.502 3.258 0 40 HGAB COc1ccc(S(=O)(=O)C2CCN(C(=O)CSc3ccc(F)cc3)CC2)cc1 96376181 HFGWUTGYZNHWRJ-UHFFFAOYSA-N 423.531 3.391 0 40 HGAB CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NC(=O)Cn1cnc3ccc(Br)cc3c1=O)C2 108057115 NDXSXDQWTMPBHH-APXLUKDGSA-N 418.335 3.490 0 40 HGAB O=C(NCCc1c[nH]c2ccccc12)[C@@H](C(=O)c1ccc(F)cc1)n1ccccc1=O 199411858 PSFXJGKBDGCKIM-JOCHJYFZSA-N 417.440 3.252 0 40 HGAB CCOC(=O)c1cccc(NC(=O)[C@H](C)N(c2ccc(CC)cc2)S(C)(=O)=O)c1 220285227 CBPCGSGFCYKAEK-HNNXBMFYSA-N 418.515 3.219 0 40 HGAB CCCCN1C(C)=NS(=O)(=O)c2cc(C(=O)NCc3ccc(OC)cc3)ccc21 223115434 HGPWXMYRDFMRNJ-UHFFFAOYSA-N 415.515 3.352 0 40 HGAB Cc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)nc1 223257213 VSOVMBPFTUPYMW-NHCUHLMSSA-N 406.559 3.110 0 40 HGAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCc1ccc2c(c1)OCO2 223884262 GQROTZNOQFTXOE-MRXNPFEDSA-N 414.477 3.431 0 40 HGAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1nnc(SCC(=O)OC)s1 225331129 KQGWNRCACNMNJW-HNNXBMFYSA-N 421.544 3.478 0 40 HGAB C[C@H](O)c1onc(-c2ccc(Cl)cc2)c1C(=O)N1CCN(c2ccccn2)CC1 253398350 HAFAYRQUFZPPNQ-AWEZNQCLSA-N 412.877 3.406 0 40 HGAB biogenic,in-vitro NC(=O)C[C@]1(COc2cccc(Cl)c2)CN(Cc2ccc(F)cc2F)CCO1 257213212 CGPFXDLDMYLUDV-HXUWFJFHSA-N 410.848 3.144 0 40 HGAB Cc1cc(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCC[C@H]4N(C)[C@H]3Cc2ccccc2)nc(N)n1 257250690 JNOCMPQXDGNCOP-NABGWTBKSA-N 405.546 3.066 0 40 HGAB CC(=O)N1[C@@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)N2C(=O)c1cncnc1 257261908 LJGRGVFGCLAHAI-QMDPOKHVSA-N 404.514 3.092 0 40 HGAB CN(CC(=O)N1CCC[C@@](COc2cccc(Cl)c2)(CC(N)=O)C1)C1CCCC1 257267779 MISINMCRHKQSPH-JOCHJYFZSA-N 421.969 3.077 0 40 HGAB Cc1cccc(CC(=O)N2CC[C@H](c3nc(C)c(CC(=O)N4CCCC4)c(C)n3)C2)c1 257339704 ZCVQLJUTLYTABA-NRFANRHFSA-N 420.557 3.125 0 40 HGAB O=C(NC[C@H]1CCCO1)c1nc([C@H]2CCCN2C(=O)c2ccccc2)n2ccccc12 306136235 PNPBAHJSSDOLJL-UYAOXDASSA-N 418.497 3.220 0 40 HGAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@H](C)CCc2ccccc2)cc1Cl 408584212 NBQXHBXRZGPBOR-CABCVRRESA-N 424.950 3.153 0 40 HGAB CC(C)OC(=O)c1ccc(N2C[C@@H](C(=O)O[C@@H](C)C(=O)c3ccccc3)CC2=O)cc1 408636639 BLALWTPMEMMWQG-LPHOPBHVSA-N 423.465 3.419 0 40 HGAB CC(C)Oc1ccc(CNC(=O)C(=O)Nc2ccccc2C(=O)NC2CCCC2)cc1 408708500 JBPMVKZYNBQPMK-UHFFFAOYSA-N 423.513 3.401 0 40 HGAB CCOCCCNC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(C)cc1 409113890 GFGCCDRNSCNWKA-UHFFFAOYSA-N 418.559 3.350 0 40 HGAB COC(=O)CN1C(=O)/C(=C/c2ccc(OCc3ccc(C)cc3)cc2)N(C)C1=S 409210846 LRLWRPQEIBXOBV-UNOMPAQXSA-N 410.495 3.147 0 40 HGAB Cc1ccc(CNCCN(Cc2ccc(C)cc2)[C@@]2(C)CCS(=O)(=O)C2)cc1 575421423 QLULZKRLWHKNCE-QHCPKHFHSA-N 400.588 3.472 0 40 HGAB Cc1csc(Nc2cc([C@H]3CCN(C(=O)/C=C/c4ccnn4C)C3)nc(C)n2)n1 585292382 LOCVFLBFYFVLQQ-RGDDUWESSA-N 409.519 3.056 0 40 HGAB O=C1CC[C@H](c2cccc(NC(=O)N[C@@H]3CCCN(c4ccccc4F)C3=O)c2)N1 1678456012 FDIYMAQORVGYMQ-QZTJIDSGSA-N 410.449 3.094 0 40 HGAB Cn1cc(-c2cnc(OC3CCN(C[C@H]4OCCc5ccccc54)CC3)nc2)cn1 1889205670 YPVHUYDHECNAQB-JOCHJYFZSA-N 405.502 3.034 0 40 HGAB Cn1cc(-c2cncc(N3CCN(c4ncc(C(F)(F)F)cc4Cl)CC3)n2)cn1 2298080858 PZRHFGDZEMTGEU-UHFFFAOYSA-N 423.830 3.271 0 40 HGAB CCOC(=O)c1c(C)oc2nc(CN(C)CCOc3cccc(Cl)c3)[nH]c(=O)c12 29143154 IBCHNNMANNFEPG-UHFFFAOYSA-N 419.865 3.165 0 40 HGAB Cc1cc(=O)c(C(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)nn1-c1ccccc1 16494232 QTQSGMGGNMCAQP-UHFFFAOYSA-N 422.916 3.152 0 40 HGAB CC(C)Oc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(F)cc3)CC2=O)cc1 800672 BEGAHPXWANZQCM-HNNXBMFYSA-N 414.433 3.148 0 40 HGAB CC[C@@H](C)[C@H](NC(=O)[C@H](C)Oc1ccc2c3c(c(=O)oc2c1C)CCCC3)C(=O)O 11866834 RTFQGEOOLBPWHU-UHYGZKCKSA-N 415.486 3.363 0 40 HGAB CN(C)[C@@H](CNC(=O)C1CCN(C(=O)Nc2ccccc2)CC1)c1cccc(F)c1 32216824 WRNKSXYZYGVSLO-NRFANRHFSA-N 412.509 3.489 0 40 HGAB C[C@@H]1Cc2ccccc2N1C(=O)Cn1nnc(-c2ccccc2NC(=O)C2CCC2)n1 1339678 ITWRZPDCODOWNV-OAHLLOKOSA-N 416.485 3.057 0 40 HGAB aggregator O=S(=O)(NCc1cccnc1Oc1cccc(F)c1)c1ccc2c(c1)OCCO2 32437738 IBPAVVMRRFMTJP-UHFFFAOYSA-N 416.430 3.263 0 40 HGAB Cc1ccccc1-n1nnnc1SCc1nc2sc3c(c2c(=O)[nH]1)CCCC3 3341147 WGEWNGQQWOWXDG-UHFFFAOYSA-N 410.528 3.440 0 40 HGAB O=C(CSc1nnc2c3c4c(sc3ncn12)CCCC4)Nc1nccs1 4130288 DVYXOKRXVQLUBB-UHFFFAOYSA-N 402.530 3.405 0 40 HGAB CC(C)(C)NC(=O)[C@@H](c1ccncc1)N(C(=O)c1csnn1)c1cccc(F)c1 4857865 RYQCFQIWAUGZRH-QGZVFWFLSA-N 413.478 3.375 0 40 HGAB O=C(CSc1nc(-c2cccs2)n[nH]1)NC(=O)NC12CC3CC(CC(C3)C1)C2 6226312 ZJKLTAKCAJZVHD-UHFFFAOYSA-N 417.560 3.420 0 40 HGAB COc1cccc2cc(-c3nnc(SCC(=O)Nc4nccs4)n3C)oc12 6234743 GLMXXZUZNODFCT-UHFFFAOYSA-N 401.473 3.424 0 40 HGAB NS(=O)(=O)c1ccc(NC(=O)c2cc(-c3ccncc3)nc3ccccc23)cc1 6244643 IOGLSUIQXPEYRQ-UHFFFAOYSA-N 404.451 3.197 0 40 HGAB O=C(Nc1ccc(N2CCCC2=O)c(Cl)c1)[C@H]1CCCN1C(=O)c1ccco1 32883572 GPTFHQUDHCFQSK-MRXNPFEDSA-N 401.850 3.303 0 40 HGAB Cc1cc2oc(=O)cc(CN3CCN([C@H](C)C(=O)NC4CC4)CC3)c2cc1C(C)C 32869522 NXORGZFKXZNMPA-QGZVFWFLSA-N 411.546 3.010 0 40 HGAB COc1ccc2cc([C@H](C)C(=O)Nc3cc(S(N)(=O)=O)ccc3OC)ccc2c1 32850777 BZNUVNARYKAPEI-ZDUSSCGKSA-N 414.483 3.247 0 40 HGAB COc1ccc(N([C@H](C)C(=O)NC2CCCCCC2)S(C)(=O)=O)cc1Cl 10332642 FQRPMCPYUMLJNO-CYBMUJFWSA-N 402.944 3.342 0 40 HGAB CC(C)Cc1noc(CN2C(=O)N[C@](Cc3ccccc3)(c3ccccc3)C2=O)n1 32905385 GBKHMBPGHBJGMQ-HSZRJFAPSA-N 404.470 3.458 0 40 HGAB O=C(Cc1ccccc1Cl)N1CCN(Cc2nc(-c3cccs3)no2)CC1 22323667 XTXAAFQLSDAVSA-UHFFFAOYSA-N 402.907 3.338 0 40 HGAB COC(=O)c1c(N2C(=O)[C@H]3ON=C(c4ccccc4Cl)[C@@H]3C2=O)sc(C)c1C 103525368 GMQQVSUQIRXXOD-ZFWWWQNUSA-N 418.858 3.097 0 40 HGAB COc1cc(CN(C)CN2C(=O)N[C@@]3(CCCC[C@H]3C)C2=O)ccc1OC(F)F 37200204 GWGJUOPCWDUCRJ-ZUOKHONESA-N 411.449 3.187 0 40 HGAB CC1(C)[C@@H]2CC[C@]1(C)C(=O)N(CCCCN1C(=O)[C@@H]3CC[C@@](C)(C1=O)C3(C)C)C2=O 100737452 FTDYMXHCUFFFRQ-RIQHXCIPSA-N 416.562 3.389 0 40 HGAB Cc1ncc(CO)c2cc(C(=O)Nc3ccc(Br)cc3F)c(=O)oc12 2955321 KHBQQMOXHSLUCB-UHFFFAOYSA-N 407.195 3.143 0 40 HGAB COc1ccc(/C=C/C(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)c(OC)c1 8290521 ZBGKNBQQBRENHW-PKNBQFBNSA-N 416.499 3.140 0 40 HGAB CCOC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(S(=O)(=O)N(CC)CC)cc2)c1C 8291418 YWDYRZZZKHBCMN-UHFFFAOYSA-N 421.519 3.091 0 40 HGAB COCCn1c(SCc2nc(N)nc(Nc3ccccc3)n2)nc2ccccc21 12530641 CUMKSLWZRMNULK-UHFFFAOYSA-N 407.503 3.486 0 40 HGAB COc1ccccc1NC(=O)Cc1noc(CSc2ncnc3ccccc23)n1 22660222 XLDIWABQHCUDHX-UHFFFAOYSA-N 407.455 3.495 0 40 HGAB CCOC(=O)/C=C/c1ccc(NC(=O)NC2CCN(C(=O)c3ccoc3)CC2)cc1 48066359 YHWRTNOETHXLPC-VMPITWQZSA-N 411.458 3.282 0 40 HGAB Cc1ccc([C@@H](CNC(=O)c2cc(=O)c3ccc(C)cc3o2)N2CCOCC2)cc1 28291659 UPXXTELZMGJNFT-HXUWFJFHSA-N 406.482 3.213 0 40 HGAB O=C(CCCCCn1c(=O)[nH]c2ccccc2c1=O)Nc1ccc2c(c1)OCCCO2 36359686 APFXGOFEPDYQOS-UHFFFAOYSA-N 423.469 3.050 0 40 HGAB CC(C)(C)OC(=O)N1CCC(C(=O)OCC(=O)Nc2cccc3ncccc23)CC1 10856255 OZWAYXZVZSURAK-UHFFFAOYSA-N 413.474 3.364 0 40 HGAB CCOC(=O)CCc1c(C)c2cc(Cl)c(OCC(=O)N(CC)CC)cc2oc1=O 2398555 HEXCSEFOPCOPDM-UHFFFAOYSA-N 423.893 3.498 0 40 HGAB COc1ccccc1NC(=O)CSc1nnc(-c2cnccn2)n1-c1ccccc1 2340043 JCHXLEAARDRMLD-UHFFFAOYSA-N 418.482 3.464 0 40 HGAB COc1cc(NC(=O)CCn2cnc3sc4c(c3c2=O)CCCC4)cc(OC)c1 12770262 ONCHUUZEXIZJAU-UHFFFAOYSA-N 413.499 3.383 0 40 HGAB C[C@@H]1CCCC[C@H]1OCCNC(=O)c1ccc(S(=O)(=O)Nc2ccncc2)cc1 48253065 ULYGFFWWTJNVLA-OXQOHEQNSA-N 417.531 3.208 0 40 HGAB O=C(COC(=O)C1(c2ccc(Cl)cc2)CCCC1)NC(=O)NCc1ccco1 3446791 MTLXAZYSGWTRQW-UHFFFAOYSA-N 404.850 3.314 0 40 HGAB COc1cc(OC)c(C(c2c(O)n[nH]c2C)c2c(O)n[nH]c2C)cc1Br 409045618 ZVQHIENFWHJCEW-UHFFFAOYSA-N 423.267 3.121 0 40 HGAB C[C@H](CNC(=O)CN(C)CC(=O)Nc1ccccc1Br)c1ccccc1 8345161 LPYZYIDUEUUMFY-OAHLLOKOSA-N 418.335 3.239 0 40 HGAB COc1ccc(C(=O)N2CC[C@@H]3CCCC[C@H]3C2)cc1S(=O)(=O)N1CCCC1 8345892 PAPFBBRXWLOWFN-WMZOPIPTSA-N 406.548 3.132 0 40 HGAB COc1ccc(-c2n[nH]c(SCC(=O)c3ccc(CCNC(C)=O)cc3)n2)cc1 8334913 IMQLWKYQSZAEAZ-UHFFFAOYSA-N 410.499 3.134 0 40 HGAB COc1ccc(C)cc1NC(=O)/C=C/c1ccc(OC)c(S(=O)(=O)NC(C)C)c1 13040692 PSXZJCBWLSVLHX-DHZHZOJOSA-N 418.515 3.351 0 40 HGAB COc1cc(OC)c(C(C)=O)cc1Cn1nnc(-c2ccccc2Br)n1 13147930 JEWWGGPDRZOMJC-UHFFFAOYSA-N 417.263 3.371 0 40 HGAB C[C@]12C(=O)N(CCc3ccc(F)cc3)CC(=O)N1CCc1c2[nH]c2ccc(F)cc12 4073324 UXYWQYPTIVBEPV-QHCPKHFHSA-N 409.436 3.131 0 40 HGAB biogenic COc1ccc(-c2c[n+](CCCN3C(=O)c4ccccc4C3=O)c3n2CCC3)cc1 13786731 MAIUQJGSOHSATI-UHFFFAOYSA-N 402.474 3.084 0 40 HGAB Cc1ccc(-c2ccc3c([C@@H]4CN(C(=O)c5ccco5)CCN4C)nnn3c2)cc1 306129324 IAQJNVCILKMWAI-FQEVSTJZSA-N 401.470 3.427 0 40 HGAB Cc1c(C)c(C)c(S(=O)(=O)NCCC(=O)N2CCn3cccc3[C@H]2C)c(C)c1C 65518504 DMCAEJNPYHLPCP-LJQANCHMSA-N 417.575 3.302 0 40 HGAB C[C@H]1CN(c2ccc(NC(=O)c3ccc(CS(C)(=O)=O)cc3)cc2F)C[C@@H](C)O1 65576613 TVGGTBGRBLZGSG-GASCZTMLSA-N 420.506 3.236 0 40 HGAB CCOC(=O)c1c(NC(=O)COC(=O)c2cccc(O)c2)sc2c1CCCC2 8753809 GKMAFLBFMDKGMY-UHFFFAOYSA-N 403.456 3.305 0 40 HGAB O=C1c2[nH]nc(-c3ccccc3O)c2[C@@H](c2ccc(Br)cc2)N1CCO 6753015 GQFXQGIASOEGGU-GOSISDBHSA-N 414.259 3.082 0 40 HGAB O=C(Nc1ccccc1)c1cccc(S(=O)(=O)N2CCC(=O)[C@H]3CCCC[C@H]32)c1 15276192 YSOVLEWWDMPKDH-VQTJNVASSA-N 412.511 3.461 0 40 HGAB Cc1ccc(C)c(NC(=O)[C@@H](OC(=O)C[C@H]2CCS(=O)(=O)C2)c2ccccc2)c1 7630047 QDVDPTFHZYBTRD-UTKZUKDTSA-N 415.511 3.351 0 40 HGAB COc1ccc(-c2cnc3c(N4CCN(Cc5nccs5)CC4)nccn23)cc1 306126223 DPWOFEZRMAVTEO-UHFFFAOYSA-N 406.515 3.184 0 40 HGAB COc1ccc(Nc2nc(N3CCN(c4ccccc4)CC3)nc3c2cnn3C)cc1 9273309 ZBKBHLMOSRPQOO-UHFFFAOYSA-N 415.501 3.442 0 40 HGAB CC(=O)c1oc2ccccc2c1NC(=O)CSc1nnnn1Cc1ccccc1 9417816 GPBHZBXEFNZQSG-UHFFFAOYSA-N 407.455 3.401 0 40 HGAB COCCCN1C(=O)c2ccc(C(=O)OCCOc3c(C)cccc3C)cc2C1=O 9701016 QMEGKHBOLDQVFZ-UHFFFAOYSA-N 411.454 3.172 0 40 HGAB CN(C)CC1CCN(c2ccc(NC(=O)/C=C/c3ccc(C(N)=O)cc3)cc2)CC1 72310369 NYABIUHISZTOQD-LFYBBSHMSA-N 406.530 3.215 0 40 HGAB CC(=O)N1N=C(c2ccnn2C)C[C@H]1c1cc2cc3c(cc2nc1Cl)OCCO3 79047352 ZKWZPSVQMKYPIE-KRWDZBQOSA-N 411.849 3.091 0 40 HGAB CCOC(=O)C1=C(CN2C[C@H](C)Sc3ccccc32)NC(=O)N[C@H]1c1ccco1 79074733 FBWXVDBBZVZJSI-DJJJIMSYSA-N 413.499 3.452 0 40 HGAB COC(=O)C[C@H](c1ccc(-c2ccc(C(=O)OC)cc2)o1)c1c(O)cc(C)[nH]c1=O 72405513 JTORLJONCNGOTQ-OAHLLOKOSA-N 411.410 3.131 0 40 HGAB COc1ccc(-c2nnc(CN(C)C(=O)c3cccc(OC)c3OC)o2)cc1OC 408714402 PZPWPYNWXLEXAU-UHFFFAOYSA-N 413.430 3.043 0 40 HGAB Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3ccc(N4CCCCC4)o3)C2=O)c1 409101664 XAWVKDOLBNKEJW-QGOAFFKASA-N 408.458 3.110 0 40 HGAB COc1ccc(CN[C@H](C(=O)c2ccc(OC)cc2)c2oc(C)cc(=O)c2O)cc1 1547139753 ZPVAWEPHZMTTDQ-HXUWFJFHSA-N 409.438 3.385 0 40 HGAB biogenic COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NC(C)C)c1ccc(C)c(C)c1 409389343 OPETVWAKTRXKCU-UHFFFAOYSA-N 404.532 3.340 0 40 HGAB CNC(=O)CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1cc(C)ccc1OC 408586873 CRRGZFRIJMOGHA-UHFFFAOYSA-N 417.314 3.252 0 40 HGAB O=C(NCCCn1ccnc1)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1 408617408 GLIDDQAAFSINNG-NRFANRHFSA-N 410.499 3.070 0 40 HGAB C[C@@]1(c2ccccc2)CCCN(C(=O)NCc2ccc([C@]3(C)NC(=O)NC3=O)cc2)C1 502764239 VMHCCEOHEGFFIY-RPWUZVMVSA-N 420.513 3.005 0 40 HGAB COC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(OC)c(Br)c2)C1=O 409091324 SQKZMFABNYPXEW-OTIXFSKASA-N 400.250 3.056 0 40 HGAB COc1ccccc1N1C(SCc2ccccc2F)=N[C@H]2CS(=O)(=O)C[C@@H]21 32641130 LDCBWAKGCFJNAC-RDJZCZTQSA-N 406.504 3.109 0 40 HGAB CC(=O)c1ccc(N2CCN(C(=O)c3coc(NC(=O)c4ccsc4)n3)CC2)cc1 70638715 GZKNSMLZLHUTCW-UHFFFAOYSA-N 424.482 3.153 0 40 HGAB CCc1cccc2c(/C=C3/C(=O)N(CC)C(=S)N3C)cn(CC(=O)N3CCCC3)c12 39556516 CVOMOTLVTZLURZ-UYRXBGFRSA-N 424.570 3.246 0 40 HGAB COc1ccc(-c2csc3c2c(N)nc(=O)n3CC(=O)NCc2ccccc2)cc1 71283557 ZNYRHMUSESBXNF-UHFFFAOYSA-N 420.494 3.032 0 40 HGAB O=S(=O)(c1ccc(F)cc1)c1cnc2cc(F)ccc2c1N1CCC[C@H]1CO 71775315 YUJWPCMYBRNXBU-HNNXBMFYSA-N 404.438 3.307 0 40 HGAB COc1ccc(F)cc1S(=O)(=O)N(C)Cc1nc(-c2cccc(Cl)c2)no1 223623618 UVVUUOCHPZALMV-UHFFFAOYSA-N 411.842 3.358 0 40 HGAB CCN(Cc1ccccc1)S(=O)(=O)c1nnc(NC(=O)c2cccc(C)c2)s1 223415600 OSLBCNHFPRVZTH-UHFFFAOYSA-N 416.528 3.310 0 40 HGAB CCOc1cccc(NC(=O)[C@@H](CC)N(c2ccc(OC)cc2)S(C)(=O)=O)c1 220654220 HGIKOLXUXPGOAV-LJQANCHMSA-N 406.504 3.277 0 40 HGAB CCc1nn2c(nnc3c(=O)n(CCCN(C)C)ccc32)c1-c1ccc(Cl)cc1 40395885 QJNYXBUOFCAPQL-UHFFFAOYSA-N 410.909 3.274 0 40 HGAB CNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CCCOc1ccc(OC)cc1 222856201 MAUWQHYJCKHSFO-QGZVFWFLSA-N 414.502 3.026 0 40 HGAB C[C@@H](NS(=O)(=O)c1ccc(OCC(=O)NCC(C)(C)C)cc1)c1ccccc1 226087261 VWLFRLZAROSLJY-MRXNPFEDSA-N 404.532 3.267 0 40 HGAB COC(=O)CN(c1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc(OC)c(C)c1 224653858 GZTVIIIHFQDNTO-UHFFFAOYSA-N 417.405 3.391 0 40 HGAB CC[C@@H](C(=O)Nc1ccc(OC)c(OC)c1)N(c1cccc(C)c1)S(C)(=O)=O 220497603 BKSRXGFQJNLOLO-KRWDZBQOSA-N 406.504 3.196 0 40 HGAB CCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)COc1cccc(Cl)c1 224047381 RBUKDQBVOASOGM-HNNXBMFYSA-N 404.894 3.281 0 40 HGAB COc1ccc(N(C)C(=O)[C@H]2CCCN(S(=O)(=O)c3cc(C)ccc3C)C2)cc1 225920673 IHFOXWXUWYVAHT-SFHVURJKSA-N 416.543 3.376 0 40 HGAB CCOc1ccc2ccccc2c1C(=O)N1CCC(c2nn(C)c(=O)n2C2CC2)CC1 77148550 FUCLPRLZJUCHIV-UHFFFAOYSA-N 420.513 3.488 0 40 HGAB Cc1cccc(C)c1N(CCCC(=O)NCCOc1ccccc1)S(C)(=O)=O 224651678 VCWDIQHIRIAQIJ-UHFFFAOYSA-N 404.532 3.045 0 40 HGAB COc1cccc(N(C)C(=O)CCc2ccc(S(=O)(=O)NC(C)(C)C)cc2)c1 222869912 IDZCCQCXFSEFEN-UHFFFAOYSA-N 404.532 3.368 0 40 HGAB CC[C@@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC(=O)O 224537946 BVPMIIMLKAWZFO-SPLOXXLWSA-N 410.470 3.141 0 40 HGAB CN(C)C1CCN(C(=O)c2cc3c(c4ccccc4n3C)n2-c2ncccn2)CC1 96146325 FDROIERWAKRAAI-UHFFFAOYSA-N 402.502 3.078 0 40 HGAB CN1C[C@@H](C(=O)Nc2ccc(F)cc2)C[C@H]1C1CCN(C(=O)c2ccccn2)CC1 248130492 MZZPVTJYLKEASI-UWJYYQICSA-N 410.493 3.032 0 40 HGAB Cc1cccnc1Nc1cncc([C@@H]2CCCN(C(=O)CN3CCCCCC3=O)C2)n1 257299539 RQLNAGCQKXUHST-GOSISDBHSA-N 422.533 3.032 0 40 HGAB Cc1ccc(S(C)(=O)=O)cc1C(=O)Nc1ccc(-c2cn3cccnc3n2)cc1 619145623 JCDGGBRYHSHHCS-UHFFFAOYSA-N 406.467 3.361 0 40 HGAB Cn1cc(-c2noc(CNC(=O)c3ccc4noc(-c5ccccc5)c4c3)n2)cn1 390832301 YMZRJSRONJJEEB-UHFFFAOYSA-N 400.398 3.208 0 40 HGAB Cc1cc(C)nc(Nc2cc([C@H]3CCCN(C(=O)/C=C/c4cnc[nH]4)C3)ccn2)n1 585291203 LPRLFRBSRXEKLN-QWNKOJSDSA-N 403.490 3.375 0 40 HGAB CCOC(=O)Cn1ncc2ccc(NC(=O)c3nn(-c4ccccc4)cc3OC)cc21 58115438 WDHQWWWJSCXLSQ-UHFFFAOYSA-N 419.441 3.046 0 40 HGAB CCCn1ncc(C(=O)N2CCC[C@H](c3ncc(Cl)cc3S(C)(=O)=O)C2)c1C 72394235 NAFFYKMBWOGLFJ-AWEZNQCLSA-N 424.954 3.073 0 40 HGAB COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc(Cl)c2)cc1Cl 16188368 VLKCMZDXKMWIDV-UHFFFAOYSA-N 403.287 3.261 0 40 HGAB CSc1cccc(NC(=O)COc2ccc(S(=O)(=O)N3CCCC3)cc2)c1 16248794 SFLCICLKJOHWPQ-UHFFFAOYSA-N 406.529 3.211 0 40 HGAB Cc1cc2ccccc2n1CCC(=O)N1CCO[C@H](c2nc(-c3cccnc3)no2)C1 19126831 NBZHVVGAVMAQJX-FQEVSTJZSA-N 417.469 3.385 0 40 HGAB O=C(C1CCC1)N1CCC(c2cc3nc4c(c(O)n3n2)CN(C2CCCC2)CC4)CC1 19292137 VBLRHPNZVWJDJS-UHFFFAOYSA-N 423.561 3.242 0 40 HGAB C[C@H]1CN(c2nc(O)c3c(n2)CN(Cc2ccc(C(F)(F)F)cc2)CC3)C[C@@H](C)O1 19497584 OMOBPWDJBRCLRH-OKILXGFUSA-N 422.451 3.373 0 40 HGAB CCOc1ccc(COC)cc1CN1CC[C@H](c2ncncc2-c2noc(C)n2)C1 19693723 RBCMPYQBZXTBLN-KRWDZBQOSA-N 409.490 3.370 0 40 HGAB Cc1cccc(-c2ccc(CC3(C(N)=O)CCN(C(=O)[C@H]4CCCO4)CC3)cc2)c1 19700485 UTDACFBLVXAHAU-JOCHJYFZSA-N 406.526 3.478 0 40 HGAB COc1ccc(C)cc1N1C[C@@H](C(=O)NCCc2nc3cc(C)c(C)cc3[nH]2)CC1=O 19715169 HSRSIMLVAINRRI-KRWDZBQOSA-N 420.513 3.209 0 40 HGAB COc1ccc(C(=O)C2=NO[C@@H]3C(=O)N(c4cc(Cl)ccc4Cl)C(=O)[C@@H]23)cc1 100355429 UTVVXPCCLMBEDA-YOEHRIQHSA-N 419.220 3.129 0 40 HGAB Cc1ccc2c(c1)C(=O)N[C@]1(CC[C@H]3CN(C(=O)c4cc(C(C)(C)C)nn4C)C[C@H]31)N2 12086333 JCPYVBZYYIZBMG-ICKUNSISSA-N 421.545 3.060 0 40 HGAB CC[C@H]1Oc2ccc(C(=O)c3ccco3)cc2N(CC(=O)N2CCCCCC2)C1=O 12241947 HNSOWIUZXLPQJR-GOSISDBHSA-N 410.470 3.417 0 40 HGAB COc1ccc2[nH]c(C(=O)Nc3ccc4c(c3)N(S(C)(=O)=O)CCC4)c(C)c2c1 19665735 JMFGJZFHSQZMRC-UHFFFAOYSA-N 413.499 3.449 0 40 HGAB O=C(C1CCN(c2ncc(Br)cc2F)CC1)N1CCC(F)(F)CC1 1888853261 IBNNXEVBANDKRK-UHFFFAOYSA-N 406.246 3.457 0 40 HGAB Cc1cccc(O[C@@H](C)C(=O)N2CCC(Cn3nc4c(cc3=O)CCCC4)CC2)c1 1775986182 ZRKQZYVVEWUBHC-SFHVURJKSA-N 409.530 3.137 0 40 HGAB COc1cc(C(=O)N2CCC3(CC2)CC(=O)c2ccccc2O3)cc(OC)c1OC 4505509 YSHCFEDDVAQLRI-UHFFFAOYSA-N 411.454 3.353 0 40 HGAB biogenic Cc1ccc2nc(N(CCN(C)C)C(=O)c3cccc(S(C)(=O)=O)c3)sc2c1 5242547 LOJCKJUYFOTUAN-UHFFFAOYSA-N 417.556 3.217 0 40 HGAB Cc1ccc(-n2ncc3c(=O)n(NC(=O)c4ccc(OC(C)C)cc4)cnc32)cc1 10251420 KEKBTPMBNPUJGH-UHFFFAOYSA-N 403.442 3.062 0 40 HGAB CCOc1cc(C(=O)N2CCN(c3nccn3CC)CC2)cc(OCC)c1OCC 11695632 KXKCTSXXTCXIDP-UHFFFAOYSA-N 416.522 3.062 0 40 HGAB O=C(Cn1nc(C2CC2)c2cnn(-c3ccc(F)cc3)c2c1=O)OCc1ccccc1 22768062 GBMJXVUZAQGWSG-UHFFFAOYSA-N 418.428 3.342 0 40 HGAB Cc1cc(C)cc(Nc2nc(C)cc3nn(CC(=O)N(C)c4ccccc4)c(=O)n23)c1 49410661 CYRXYOWBIFLBIS-UHFFFAOYSA-N 416.485 3.223 0 40 HGAB CCN(CC)CCC[C@H](C)NS(=O)(=O)c1ccc(I)cc1 107371325 OOHMGFVESXSZOQ-ZDUSSCGKSA-N 424.348 3.080 0 40 HGAB CCc1nnc(NS(=O)(=O)c2ccc(N[C@@H]3OC(=O)c4ccccc43)cc2)s1 796164 XUCVWNRMJBVGME-MRXNPFEDSA-N 416.484 3.182 0 40 HGAB Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccc(Br)cc1)Nc1ccccc1O2 977909 YTTXMFJVJNFJBD-MRXNPFEDSA-N 414.259 3.154 0 40 HGAB COc1cc(-c2nnc(-c3cc(OC)c(OC)c(OC)c3)o2)cc(OC)c1OC 2015183 PJMJPGFUGZBTAE-UHFFFAOYSA-N 402.403 3.455 0 40 HGAB CC[C@@](C)(C(=O)NC1CCCC1)N(C[C@@H]1CCCO1)C(=O)c1ccc2c(c1)OCO2 2457394 MEEKJTGSRXDPEW-MBSDFSHPSA-N 416.518 3.264 0 40 HGAB Cc1cccc(Cn2c(=O)c3c(nc4n3CCN4c3ccc(C)c(C)c3)n(C)c2=O)c1 3015919 PPBYOUKIZKUQMG-UHFFFAOYSA-N 415.497 3.022 0 40 HGAB Cc1cc(C)cc(C(=O)NCC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 3378617 YYRJEMWEHODJCH-UHFFFAOYSA-N 419.447 3.401 0 40 HGAB C[C@@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)Nc3ccc(C(N)=O)cc3)c2C1 3482047 CGLMDYMMLMKLEV-CQSZACIVSA-N 417.465 3.254 0 40 HGAB CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(NC(=O)Cc3ccccc3)C(=O)[C@@H]12 3669299 WYLLJUJZUTXHPC-PGAZUGQPSA-N 422.484 3.327 0 40 HGAB O=C(CSc1ccc2nnc(-c3cccc(F)c3)n2n1)NCCc1ccccc1 4164589 GJKAVXDMBFPMES-UHFFFAOYSA-N 407.474 3.381 0 40 HGAB CCc1cccc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)on3)cc2)c1 4342290 DPJCSIHSKUOYTC-UHFFFAOYSA-N 415.471 3.364 0 40 HGAB CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)[C@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)O 4647132 CULPHZBOVMVYRW-OHFALNGGSA-N 415.467 3.409 0 40 HGAB COc1ccccc1NC(=O)CSc1nnc(-c2cccnc2)n1-n1cccc1 5242270 IUUKIHHKWDSBEI-UHFFFAOYSA-N 406.471 3.192 0 40 HGAB O=C(NCc1ccco1)c1ccc(N2C(=O)[C@@H]3Cc4ccccc4CN3C2=O)cc1 5427578 SVJAKQJNARYEMC-FQEVSTJZSA-N 401.422 3.103 0 40 HGAB Cc1cccc(N2CCn3c2nc2c3c(=O)n(C/C=C/c3ccccc3)c(=O)n2C)c1 6749059 KFPYSPCBERSJHI-YRNVUSSQSA-N 413.481 3.070 0 40 HGAB COc1ccc(OC[C@H](O)CNCCOc2ccccc2OC)c(C(C)(C)C)c1 7015391 AVSREIAJBVOXTD-QGZVFWFLSA-N 403.519 3.410 0 40 HGAB COc1cc(CNCCCSc2nnnn2C)ccc1OCc1cccc(C)c1 7541533 ZWSLCQSIBDLMLI-UHFFFAOYSA-N 413.547 3.378 0 40 HGAB CCOc1ccc(NC(=O)CN(C)CC(=O)Nc2c(F)cccc2F)cc1OCC 8036881 KKPGRGLLDLIIOB-UHFFFAOYSA-N 421.444 3.271 0 40 HGAB CCCCC[C@@H](C)NC(=O)CSc1nc2cc(S(=O)(=O)N(C)C)ccc2o1 8506522 CLUIKDGEWTWONP-CYBMUJFWSA-N 413.565 3.255 0 40 HGAB Cc1cc(Cl)c(Cl)cc1S(=O)(=O)N1CCN(C(=O)c2ccco2)CC1 8714856 ZAWPFFWQYUIMPB-UHFFFAOYSA-N 403.287 3.042 0 40 HGAB O=c1c2ncccc2n(Cc2ccc(Cl)c(Cl)c2)c(=O)n1Cc1ccncc1 9001673 QWMJFFQGEMVLMT-UHFFFAOYSA-N 413.264 3.357 0 40 HGAB COc1c(C)cc(S(=O)(=O)Nc2ccc3c(c2)NC(=O)C(C)(C)CO3)cc1C 9173628 PTHAJTOVXCMIJF-UHFFFAOYSA-N 404.488 3.470 0 40 HGAB CS(=O)(=O)c1cccc(-c2nnc(NC(=O)c3ccc(Br)cc3)o2)c1 9346696 KJFITXLCBKEZHI-UHFFFAOYSA-N 422.260 3.155 0 40 HGAB CC(C)Oc1ccc(C(=O)OCC(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 9533807 NAIFRUIRVUHNJY-UHFFFAOYSA-N 414.502 3.425 0 40 HGAB O=C(CCSc1ccccc1)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 9754455 NWSCAZSKUUHESB-UHFFFAOYSA-N 424.975 3.355 0 40 HGAB CCC[C@@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 9974081 TWVAJSKLEULZSR-ZIAGYGMSSA-N 417.369 3.155 0 40 HGAB COc1ccc(OC)c(NC(=O)CN(c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)c1 10324935 LUAMBMDLVZOKMA-UHFFFAOYSA-N 420.531 3.406 0 40 HGAB Cc1ccc(-n2ncc3c(=O)nc(SCC(=O)Nc4ccccc4C)[nH]c32)cc1 10612790 MFNFBTCGGBIHJO-UHFFFAOYSA-N 405.483 3.456 0 40 HGAB CCOc1ccccc1C(=O)NCC(=O)N(C)Cc1ccccc1N1CCCCC1 10899697 JTIDHNRSLIABTL-UHFFFAOYSA-N 409.530 3.464 0 40 HGAB COC(=O)c1ccccc1N(C)C(=O)CN1CCC[C@@H]1c1ccc2c(c1)OCCCO2 11287833 ITBNJQKOZZCTJA-LJQANCHMSA-N 424.497 3.434 0 40 HGAB CN(C)S(=O)(=O)c1ccc(C(=O)OCc2cc(-c3ccc(F)cc3)on2)cc1 11613664 OYFWEUDYMPPOLL-UHFFFAOYSA-N 404.419 3.088 0 40 HGAB Cc1cc(-c2snnc2[C@H]2CCCN(C(=O)c3[nH]nc4c3C[C@@H](C)CC4)C2)on1 12221515 NUAZWBLGGDRRKS-AAEUAGOBSA-N 412.519 3.369 0 40 HGAB Cc1cc(C)cc(NC(=O)Cn2nc(C)c3cnn(-c4ccc(F)cc4)c3c2=O)c1 12228253 XTSWROISSLCIHX-UHFFFAOYSA-N 405.433 3.285 0 40 HGAB CC(C)n1nc(C(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)c2ccccc2c1=O 12614845 IXTWATXIXJFSLO-UHFFFAOYSA-N 421.425 3.226 0 40 HGAB Cc1cc(C)cc(NC(=O)[C@@H](OC(=O)[C@@H]2CCCN(C(N)=O)C2)c2ccccc2)c1 12689153 KCPRUBHVVAWAKQ-QUCCMNQESA-N 409.486 3.317 0 40 HGAB CCOc1ccc(CN(CC)C(=O)c2ccc3c(=O)n4c(nc3c2)CCC4)cc1OC 12746314 SYAFNRHZXVQJQZ-UHFFFAOYSA-N 421.497 3.412 0 40 HGAB O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1cnc2c(cnn2Cc2ccccc2)c1 12789135 XJVOGKMTXGPHAM-QHCPKHFHSA-N 411.509 3.484 0 40 HGAB Cc1cc(-c2cc(C(=O)NCC(C)(C)N3CCOCC3)c3c(C)noc3n2)c(C)o1 12875875 IGRQKYXLUSZBTC-UHFFFAOYSA-N 412.490 3.249 0 40 HGAB COc1ccc2[nH]cc(CCN3C[C@H](C(=O)Nc4cc(F)cc(F)c4)CC3=O)c2c1 13944703 ITLMMYDPDQYBGU-CQSZACIVSA-N 413.424 3.484 0 40 HGAB CCOC(=O)c1c(NC(=O)[C@H](C)N2C[C@H](C)O[C@@H](C)C2)sc2c1CC[C@H](C)C2 14014092 CJWNNNIRFKIZOX-AJNGGQMLSA-N 408.564 3.486 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(F)c(F)c3)CC2)cc1 15588329 BPWQSKRLNYGQQG-UHFFFAOYSA-N 410.442 3.013 0 40 HGAB CC(C)c1ccc(/C=c2\sc3nc(=O)c(Cc4ccc(Cl)cc4)nn3c2=O)cc1 16735469 NKFRLVBGAWRFBP-UNOMPAQXSA-N 423.925 3.427 0 40 HGAB O=C(COC[C@H]1COc2ccccc2O1)N1CCC[C@H](COc2ccccc2F)C1 19375739 LTLLCSSJFBFCHA-ROUUACIJSA-N 415.461 3.300 0 40 HGAB O=C(C1CCN(c2ncnc3ccccc23)CC1)N1CCC(Oc2cccnc2)CC1 19376142 FSFTWRPPWBMHHE-UHFFFAOYSA-N 417.513 3.311 0 40 HGAB Cc1sc2ncn(CC3(O)CCN(Cc4cc(F)cc(F)c4)CC3)c(=O)c2c1C 19561517 AFHOUNXPSGSWAV-UHFFFAOYSA-N 419.497 3.380 0 40 HGAB Cc1nc([C@H]2CCCN(S(C)(=O)=O)C2)nc2c1CCCN2Cc1ccc(F)cc1 19706709 SBGAUNOZZUNNIO-KRWDZBQOSA-N 418.538 3.016 0 40 HGAB COc1cc2c(cc1CN1CCC[C@@H](c3ccc4c(C)nn(C)c4n3)C1)OCCO2 19742504 GJCBPPIJSHTOMO-MRXNPFEDSA-N 408.502 3.436 0 40 HGAB Cc1ncc(C(=O)Nc2ccccc2)c([C@H]2CCCCN2C(=O)c2cnccn2)n1 19766501 QCTHMNJDMTWJII-LJQANCHMSA-N 402.458 3.195 0 40 HGAB COc1cc(OC)c(NC(=O)Cn2cnc3c(oc4ccccc43)c2=O)cc1Cl 20002033 ISQLXYJOHMBFAV-UHFFFAOYSA-N 413.817 3.452 0 40 HGAB CCCCNS(=O)(=O)c1ccc(OCC(=O)N[C@H](C)c2ccc(OC)cc2)cc1 20020819 HYJWRTYOMQOUFY-MRXNPFEDSA-N 420.531 3.030 0 40 HGAB Cc1ccc(Cl)cc1NC(=O)[C@@H]1CC(=O)Nc2nc(N3CCCCC3)nc(N)c21 20799968 NAVKYELQWHUXPD-CYBMUJFWSA-N 414.897 3.075 0 40 HGAB CCN(CC(=O)Nc1ccccc1C(F)(F)F)S(=O)(=O)c1ccc(OC)cc1 21224672 KGHZTXFGEOPQSX-UHFFFAOYSA-N 416.421 3.363 0 40 HGAB COc1cc(OC)c(OC)cc1CNC(=O)c1ccc(CSc2ncn[nH]2)cc1 21393590 CHSBDIHFRRTTCN-UHFFFAOYSA-N 414.487 3.053 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)/C=C/c1ccc(F)cc1 22526290 QFYOLBUEQOVSGG-IZZDOVSWSA-N 404.463 3.271 0 40 HGAB C[C@@H](NC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccccc1)c1ccc(F)c(F)c1 24040063 LGZVLPBBJLYXED-AUUYWEPGSA-N 408.470 3.385 0 40 HGAB O=C(NCc1ccccc1)C1CCN(S(=O)(=O)Cc2c(F)cccc2Cl)CC1 24613352 OANRSROFMXENNF-UHFFFAOYSA-N 424.925 3.337 0 40 HGAB O=C(NCc1csc(-c2ccccc2)n1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 24857479 RUMFSJZHCXVZRC-OAHLLOKOSA-N 421.478 3.208 0 40 HGAB C[C@H](C(=O)c1c[nH]c2ccccc12)N1CCN(Cc2ccc3c(c2)OCCO3)CC1 26844811 XCTINLVMQHZTFK-QGZVFWFLSA-N 405.498 3.328 0 40 HGAB CNC(=O)[C@H]1Cc2ccccc2CN1Cc1nc(-c2ccc(C(F)(F)F)cc2)no1 26917845 OHUQNCUMOHCOHR-QGZVFWFLSA-N 416.403 3.428 0 40 HGAB CN(Cc1ccccc1N1CCCCC1)C(=O)CCn1cnc2ccccc2c1=O 27155797 VLLNAMKKUCHRKG-UHFFFAOYSA-N 404.514 3.436 0 40 HGAB CCCS(=O)(=O)c1ncc(Br)c(-c2nnc(-c3ccc(C)cc3)o2)n1 28289418 UZNMYISVLJSIFI-UHFFFAOYSA-N 423.292 3.448 0 40 HGAB Cc1sc(NC(=O)CNC(=O)c2ccc3c(c2)OCO3)nc1-c1ccc(F)cc1 29146373 VBFBOGIQGPIRNR-UHFFFAOYSA-N 413.430 3.355 0 40 HGAB CN(CC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@@H]1CCc2ccccc21 29482835 MDOBJFGXXDEHGR-OAQYLSRUSA-N 413.543 3.029 0 40 HGAB CCc1cccc(N2C[C@H](C(=O)NCc3ccc(Cn4ccnc4)cc3)CC2=O)c1 30216727 QGBBPUNNGVZFBT-OAQYLSRUSA-N 402.498 3.163 0 40 HGAB COc1ccc(Cn2nnnc2SCC(=O)N(C)[C@H]2CCCc3ccccc32)cc1 30339370 YEXHXIUGDGPIFQ-FQEVSTJZSA-N 423.542 3.358 0 40 HGAB CCN1CCN([C@H](C(=O)O)c2cn(Cc3ccccc3)c3ccc(C(=O)O)cc23)CC1 36353124 YYHIJXYAODLUGM-QFIPXVFZSA-N 421.497 3.151 0 40 HGAB C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1CC(=O)N[C@H](C)c1cccc2ccccc12 36398700 FVAZMAHGFHRCBI-JKSUJKDBSA-N 423.538 3.116 0 40 HGAB COc1ccc(CCNC(=O)[C@H](C)N2CCC[C@H](C(=O)Nc3ccccc3)C2)cc1 40018038 ZATLQMOVZNBWCC-ICSRJNTNSA-N 409.530 3.093 0 40 HGAB Cc1nn(-c2ccccc2)c(C)c1CNC(=O)NC[C@H](CC(C)C)N1CCOCC1 40071912 FKNCRAACTWPGAM-NRFANRHFSA-N 413.566 3.035 0 40 HGAB CCNS(=O)(=O)c1ccc(F)c(C(=O)Nc2cc(Cl)c(OC)cc2OC)c1 40149017 MTXQCFARXNCQGC-UHFFFAOYSA-N 416.858 3.047 0 40 HGAB CC(C)n1cnc2nc(COc3ccccc3NC(=O)c3ccccc3F)cc(=O)n21 41077146 PXOSRZQXBWRZBH-UHFFFAOYSA-N 421.432 3.442 0 40 HGAB Cc1ccccc1OCC(=O)NCc1cc(=O)n2nc(-c3ccccc3C)sc2n1 41078123 OAJVUOVYNRJGEE-UHFFFAOYSA-N 420.494 3.130 0 40 HGAB Cc1noc(C)c1CN1CCN(C(=O)Cc2csc(Cc3ccccc3)n2)CC1 48249162 OIKVDSIFXSZFQY-UHFFFAOYSA-N 410.543 3.226 0 40 HGAB COc1ccc(NC(=O)[C@@H]2CCCN2C(=O)Nc2nnc(-c3ccccn3)s2)cc1 48356635 WLQZQSFSIUXSML-INIZCTEOSA-N 424.486 3.244 0 40 HGAB CCOc1ccc(NC(=O)Cn2nc3c(Sc4ccccc4)nccn3c2=O)cc1 49008781 MTHQKAGDRFVVDR-UHFFFAOYSA-N 421.482 3.080 0 40 HGAB COc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccc(C(=O)OC(C)C)cc3)n2)cc1 49544164 FKPVIBRJKZSCCD-UHFFFAOYSA-N 421.453 3.123 0 40 HGAB CC(C)C[C@H](C(=O)Nc1ccc2oc(=O)ccc2c1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 54253705 XCABACVEJLDWJS-FGTMMUONSA-N 408.454 3.097 0 40 HGAB CC[C@@H](C)NC(=O)CSc1nc2ccsc2c(=O)n1-c1ccccc1OC 57487617 SXZVBWIDJADILY-GFCCVEGCSA-N 403.529 3.463 0 40 HGAB CCc1ccc(Cn2nccc2NC(=O)COc2ccc3c(c2)CCC(=O)N3)cc1 57996388 NQUVPACAOXBENO-UHFFFAOYSA-N 404.470 3.396 0 40 HGAB COC(=O)C[C@@H](NC(=O)c1cn2ccc(C)cc2n1)c1cccc(Br)c1 58014405 PYENIPQNRRFLEL-OAHLLOKOSA-N 416.275 3.439 0 40 HGAB Cc1cc(C)n(C[C@H](C)C(=O)N[C@@H]2C[C@@]3(CCC(=O)N(C)CC3)Oc3ccccc32)n1 72327776 MNXHWOZKCJPKTQ-GANZUKCXSA-N 424.545 3.157 0 40 HGAB Cc1cccnc1CNC(=O)c1ccc(C2CCN(C(=O)c3ccccn3)CC2)nc1 72374437 ABECGMBXJRAGFU-UHFFFAOYSA-N 415.497 3.130 0 40 HGAB Cc1nc(CC(=O)N2CCCC[C@H]2c2cc(C(=O)NC3CCCC3)[nH]n2)cs1 72380631 AMHWBHFHQBNSBW-SFHVURJKSA-N 401.536 3.143 0 40 HGAB CC(C)N1CCc2nc3cc(C4CCN(C(=O)C[C@H]5C=CCC5)CC4)nn3c(O)c2C1 72389796 UDFYSTJDYLXICK-KRWDZBQOSA-N 423.561 3.264 0 40 HGAB CC[C@H](NC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1)c1nnc2n1CCCCC2 78733129 ACZVECDTRDBJPF-YOEHRIQHSA-N 415.925 3.278 0 40 HGAB CC1CCN([C@H](CNS(=O)(=O)c2ccc3c(c2)OCCO3)c2cccs2)CC1 95350888 NHBKHUUIFKZTBS-QGZVFWFLSA-N 422.572 3.271 0 40 HGAB CN1CC(=O)N(c2cccc(F)c2)C[C@@]12CCN(C(=O)c1ccc(Cl)cc1)C2 96050289 MNROKKBMHBLPCE-NRFANRHFSA-N 401.869 3.042 0 40 HGAB COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)NCC1CCOCC1)C(=O)OC2 96115693 WGTDTWYUYIZLFN-LNKIKWGQSA-N 417.502 3.191 0 40 HGAB biogenic COc1ccc(CNC(=O)c2nc3c(s2)CCN(C(=O)CC(C)C)CC3)cc1 96146956 ADDRKRGJTOZBFZ-UHFFFAOYSA-N 401.532 3.055 0 40 HGAB CN(C)c1cccc(C(=O)N2CCC3(CC2)C[C@@H](N(C)Cc2cccnc2)CO3)c1 96220869 DBDLCKHMGHUSDD-JOCHJYFZSA-N 408.546 3.043 0 40 HGAB Cc1nc(-c2nc(C(=O)NCc3cccnc3)c3ccccn23)cn1Cc1cccnc1 96266925 MZWJNPUPHSBCPY-UHFFFAOYSA-N 423.480 3.275 0 40 HGAB O=C(CCc1nnc2c3cc(-c4ccc(F)cc4)nn3ccn12)NCc1ccccc1 96322308 LZFDUDOYDOPIII-UHFFFAOYSA-N 414.444 3.432 0 40 HGAB COc1cc(CNC(=O)[C@H]2[C@H]3CC[C@@]4(CC(=O)c5ccccc5O4)[C@@H]32)cc(OC)c1 100124452 CMVHSIXDJRAZPD-CMCISMSHSA-N 407.466 3.380 0 40 HGAB Cc1ccc(NC(=O)[C@@H](C)N(C)CC(=O)N2c3ccccc3NC(=O)C[C@H]2C)c(C)c1 104226677 KMKJIHREKGDYNE-QZTJIDSGSA-N 422.529 3.326 0 40 HGAB CC[S@@](=O)[C@@H]1CCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)c2ccccc2C)C1 107071648 YJTMPSIHMPPBFN-VALQEZNKSA-N 406.592 3.336 0 40 HGAB C[C@H](NS(=O)(=O)c1ccc(NC[C@@H]2CCCO2)c(C(=O)O)c1)c1ccccc1 217611600 UNEIYYKGIRGHEZ-HOCLYGCPSA-N 404.488 3.015 0 40 HGAB COc1ccc(CCNS(=O)(=O)c2ccc(NCCC(C)C)c(C(=O)O)c2)cc1 217621090 LGDJEPWWSCBQRV-UHFFFAOYSA-N 420.531 3.372 0 40 HGAB CC[C@H](NC(=O)COc1ccc(N(C)S(C)(=O)=O)cc1)c1ccc(C)cc1C 222733048 HTWPROYRVNXIGH-FQEVSTJZSA-N 404.532 3.346 0 40 HGAB CCOCCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)COc1ccccc1 222930027 RIFRLRFDCHJQDQ-SFHVURJKSA-N 416.493 3.165 0 40 HGAB CCC(=O)N1CCc2cc(S(=O)(=O)N[C@H](CC)c3ccc(OC)cc3)ccc21 223115446 XCBLOFFWJZTOGW-LJQANCHMSA-N 402.516 3.424 0 40 HGAB COc1ccc(S(=O)(=O)N(CC(=O)O)c2cc(Cl)cc(Cl)c2)cc1F 225103445 SYZOTYBVPNXCGZ-UHFFFAOYSA-N 408.234 3.421 0 40 HGAB COc1ccc2c(c1)O[C@@]1(C[C@H]3CC[C@H]1C[C@H]3C(=O)NCc1ccccc1F)NC2=O 247917618 BQMNYYYNDCZDBI-UWAQFEQLSA-N 424.472 3.405 0 40 HGAB O=C(NS(=O)(=O)c1ccccc1Br)c1cccc(N2CCCC2)c1 257236218 HBFTVXVOEYRPID-UHFFFAOYSA-N 409.305 3.168 0 40 HGAB Cc1cccc(C(=O)N[C@H](C)c2nnc(SCC(=O)Nc3ncccc3C)n2C)c1 409129017 JRMFOFXACUTZEH-OAHLLOKOSA-N 424.530 3.049 0 40 HGAB COc1ccc(Cc2nnc(SCC(=O)Nc3cc(C)ccc3OC)n2C)cc1 409168530 MEHHNNGDPNQYSD-UHFFFAOYSA-N 412.515 3.462 0 40 HGAB Cc1nn(-c2ccccc2)cc1NC(=O)C(=O)Nc1cn(-c2ccccc2)nc1C 513533907 MBOUDAGOZDHGOS-UHFFFAOYSA-N 400.442 3.252 0 40 HGAB CC(C)(C)c1noc(-c2ccccc2C(=O)N[C@H]2CCCN(CC(F)(F)F)C2=O)n1 532562684 XVMFLJVELBTNFE-AWEZNQCLSA-N 424.423 3.317 0 40 HGAB CC(C)[C@H](O)C(C)(C)CNC(=O)c1ccc(C(=O)NCC(C)(C)[C@H](O)C(C)C)cc1 533158519 CWXLHGDTAUWCOW-BGYRXZFFSA-N 420.594 3.232 0 40 HGAB COCc1ccc(S(=O)(=O)NCC2CCN(Cc3ccc(OC)cc3)CC2)cc1 537033656 UWSBGTNMVXNMIU-UHFFFAOYSA-N 418.559 3.032 0 40 HGAB Cc1cc(C(=O)N2CCOC[C@@H]2c2nc3ccccc3s2)ccc1N1CCNC1=O 669682013 KDXKCYYJNWNQBX-GOSISDBHSA-N 422.510 3.348 0 40 HGAB O=C(Cc1noc2ccccc12)N1CCC(Oc2nccc(C(F)(F)F)n2)CC1 1775975656 LSCLUPBOEZBNOJ-UHFFFAOYSA-N 406.364 3.249 0 40 HGAB Cc1nc(N2C[C@@H]3CN(c4ncccc4C(F)(F)F)C[C@@H]3C2)c2ccncc2n1 1888913721 NAOONHQIONKVNN-OKILXGFUSA-N 400.408 3.320 0 40 HGAB CO[C@H](C)C(=O)Oc1ccc(-c2ccc(F)cc2F)cc1C(=O)O[C@@H](C)C(=O)O 2060993545 JXBUFIOIVJRDJD-WDEREUQCSA-N 408.353 3.202 0 40 HGAB COc1ccc(OC)c([C@H]2Nc3ccccc3C(=O)N2NC(=O)c2ccncc2)c1 669391 PJQDROJQBUILST-FQEVSTJZSA-N 404.426 3.010 0 40 HGAB Cc1cccc(-n2c(-c3ccc(Cl)cc3)cn3c4c(=O)n(C)c(=O)n(C)c4nc23)c1 717014 HKVQSLRPVGVJOM-UHFFFAOYSA-N 419.872 3.304 0 40 HGAB biogenic COC(=O)CSc1nnc(CNc2ccc(F)cc2)n1-c1ccc(OC)cc1 870445 GVNIWZVHSHPVPJ-UHFFFAOYSA-N 402.451 3.292 0 40 HGAB Cc1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)Nc2onc(C)c2C)cc1 913141 BNMLYTLOZZGADC-UHFFFAOYSA-N 415.471 3.418 0 40 HGAB Cc1cccc2cc(CN(Cc3cccnc3)C(=O)C(F)(F)F)c3nnnn3c12 1376862 UGUPGKDRIPHHQW-UHFFFAOYSA-N 400.364 3.072 0 40 HGAB O=C(COC(=O)c1cc(=O)c2ccccc2o1)Nc1ccc(Br)cc1 3317122 VSXPBVCVBWVSAQ-UHFFFAOYSA-N 402.200 3.351 0 40 HGAB COc1ccc([C@@H](CNC(=O)c2ccc(S(C)(=O)=O)cc2)N2CCCCC2)cc1 3402566 PKUGVCOXMRCFBF-OAQYLSRUSA-N 416.543 3.056 0 40 HGAB COc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccc(O)cc4)[C@H]3C2=O)cc1 4167936 CSAGVHLTZREPBO-VSKRKVRLSA-N 416.433 3.452 0 40 HGAB O=C(c1ccc(Br)cc1)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 4183411 GUPGJHABOCPSFV-AWEZNQCLSA-N 414.346 3.340 0 40 HGAB COc1ccc(CCNC(=O)Cc2c(C)c3c(OC)cc(OC)cc3oc2=O)cc1 4540679 GUPYQCRSWYMLSA-UHFFFAOYSA-N 411.454 3.029 0 40 HGAB biogenic COc1ccc(N2C(=O)c3cccc4c(C(=O)N5CCOCC5)ccc(c34)C2=O)cc1 4785570 FYQNSBBFVQDITN-UHFFFAOYSA-N 416.433 3.121 0 40 HGAB O=C(Cn1c(=O)n(-c2ccccc2)c(=O)c2sccc21)NCCC1=CCCCC1 4882244 KMPXYUAUEOLZNE-UHFFFAOYSA-N 409.511 3.221 0 40 HGAB COc1ccc(-n2c(=O)c3ccccc3n(Cc3ccc(F)cc3)c2=O)cc1OC 4905340 KIPRZEYIVCOUHF-UHFFFAOYSA-N 406.413 3.357 0 40 HGAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cccc(F)c3)C2)cc1 4966963 BAMSFLIZKIRXRT-OAHLLOKOSA-N 406.479 3.264 0 40 HGAB COc1ccc(-c2ccc3nnc(SCC(=O)N4CCc5ccccc54)n3n2)cc1 5167688 WBFRNLMHFMDFAG-UHFFFAOYSA-N 417.494 3.481 0 40 HGAB Cc1cc(C)c(NC(=O)CN2C(=O)N[C@@](C)(c3cc(F)ccc3F)C2=O)c(C)c1 5218696 LWGGZQOHKSAYRH-NRFANRHFSA-N 401.413 3.296 0 40 HGAB Cc1ccc(NC(=O)COc2ccccc2[C@H]2CC(=O)Nc3ncnn32)cc1Cl 6449828 AKGQTTLDZFMYFK-MRXNPFEDSA-N 411.849 3.189 0 40 HGAB COC(=O)[C@H](CC(=O)Nc1ccc(C)cc1)C(=O)C(=O)Nc1ccccc1C(C)C 6487203 LIWDZMHYWVWDLL-GOSISDBHSA-N 410.470 3.444 0 40 HGAB O=C(NC1CCCCCCC1)c1cccc(NC2=N[C@H]3CS(=O)(=O)C[C@H]3S2)c1 6739094 WUZFJRFYCXKNEV-ZWKOTPCHSA-N 421.588 3.210 0 40 HGAB CCOC(=O)C1=NN(c2ccccc2)[C@]2(S1)SC(C(=O)OCC)=C(C)N2C 6810036 MCSRFEUZXYOAKM-SFHVURJKSA-N 407.517 3.201 0 40 HGAB O=C(N[C@@H](Cc1ccccc1)C(=O)NCc1ccc2c(c1)OCO2)c1ccccc1 6998283 JHMOIKHUABOMEJ-FQEVSTJZSA-N 402.450 3.073 0 40 HGAB O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cc(Cl)c2c(c1)OCO2 8072071 IVZSASSRMZDRMR-UHFFFAOYSA-N 408.863 3.106 0 40 HGAB COc1ccc([C@@H]2C/C(=C3\C(=O)NC(=O)N(C)C3=O)Nc3ccccc3S2)cc1 8974849 ZOCQHPYFXVNTJI-LXMVLSBBSA-N 409.467 3.307 0 40 HGAB O=C(c1ccco1)N1CCc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2C1 8977160 RUMGUGAHAHDREE-UHFFFAOYSA-N 400.431 3.418 0 40 HGAB COc1cc(NC(=O)Cc2c(C)c3c(O)cc(C)cc3oc2=O)cc(OC)c1OC 9134267 KVQKQWNXCZCSPX-UHFFFAOYSA-N 413.426 3.322 0 40 HGAB CCC(=O)Nc1ccc(-c2csc(NC(=O)c3ccccc3-n3cnnn3)n2)cc1 9466090 ITOQUSUCOQIMHL-UHFFFAOYSA-N 419.470 3.387 0 40 HGAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)NCCOc1ccc(C(C)(C)C)cc1 9477398 XUMQHUPAFCHXFS-UHFFFAOYSA-N 408.502 3.441 0 40 HGAB COC(=O)c1sc2ccccc2c1S(=O)(=O)Nc1ccc2c(c1)OCCO2 9646351 RDROVZJFTOZYQF-UHFFFAOYSA-N 405.453 3.260 0 40 HGAB Cc1ccc(S(=O)(=O)Nc2nc(CC(=O)NCc3cccs3)cs2)cc1 9828574 BICFLKQLVBLISP-UHFFFAOYSA-N 407.542 3.173 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)cc1NC(C)=O 10629966 PHUJUDGKTMNZMH-SFHVURJKSA-N 414.487 3.056 0 40 HGAB COc1ccc(S(=O)(=O)NCc2ccccc2OC(F)(F)F)cc1NC(C)=O 10757595 MHQDWCDDTSURDB-UHFFFAOYSA-N 418.393 3.031 0 40 HGAB CCn1nnc2cc(C(=O)OCC(=O)Nc3ncc(Cl)c(C)c3Cl)ccc21 10854686 GMLRSKWRGKUWGB-UHFFFAOYSA-N 408.245 3.257 0 40 HGAB COc1ccc(S(=O)(=O)Nc2ccc(Nc3cc(OC)nc(C)n3)cc2)cc1 12226099 VJHWAXQWHPAXLU-UHFFFAOYSA-N 400.460 3.347 0 40 HGAB COc1ccc(CC(=O)N2CCC(c3nc(O)cc(-c4ccccn4)n3)CC2)cc1 12256399 JQAFYIUBPRGAKN-UHFFFAOYSA-N 404.470 3.202 0 40 HGAB O=C1N(c2ccc(F)cc2)[C@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(C(F)(F)F)c1 12636179 AUFYOQOOBHQNKR-HOTGVXAUSA-N 414.380 3.457 0 40 HGAB C[C@@H](NS(=O)(=O)c1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc2c(c1)OCO2 12816885 JQXMVVJZISUQQN-CYBMUJFWSA-N 404.488 3.018 0 40 HGAB Cc1ccc(CN2C[C@@H](C(=O)NCC(=O)Nc3c(C)cc(C)cc3C)CC2=O)cc1 12912127 OODLTNRPTPWBBA-FQEVSTJZSA-N 407.514 3.024 0 40 HGAB CC(C)n1ncc2c(C(=O)NC[C@@H]3CCCO3)cc(-c3ccc4c(c3)OCCO4)nc21 12950142 QUBQXRNLTLFOHI-INIZCTEOSA-N 422.485 3.359 0 40 HGAB COc1ccc(CCNC(=O)c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)cc1 12976921 JUQNKIXGJUVRDI-UHFFFAOYSA-N 416.543 3.088 0 40 HGAB COCCc1ccc(-c2csc(NC(=O)c3ccc4c(c3)C(=O)N(C)C4=O)n2)cc1 12977308 XLRNKEYQFYSBDT-UHFFFAOYSA-N 421.478 3.477 0 40 HGAB Cc1ccc(C(=O)NCCN2CCCCCC2)cc1NS(=O)(=O)c1ccccc1 13678949 FJVLBURKQPTVTP-UHFFFAOYSA-N 415.559 3.402 0 40 HGAB Cc1ccc(C(=O)N2CC(=O)Nc3ccccc32)cc1NS(=O)(=O)c1ccccc1 13682384 RLDXXEDHGPYMGA-UHFFFAOYSA-N 421.478 3.395 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2CC(=O)NCc2ccc(F)cc2)cc1 15390782 OOQCJVOLBCYQAM-LJQANCHMSA-N 404.507 3.384 0 40 HGAB CCOc1ccc(/C=c2/sc3nc(/C=C/c4ccccc4)nn3c2=O)cc1OC 16807420 ILFQSVHTVUQWFV-ZLINDNQKSA-N 405.479 3.276 0 40 HGAB COc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(Cl)c(F)c4)C(=O)[C@H]3N3CCCN23)cc1 19166833 HWWGJZVERBDGHY-QYZOEREBSA-N 415.852 3.023 0 40 HGAB COc1cc(CN2CCC(c3nc(C)c(C)c(N4CCOCC4)n3)CC2)ccc1O 19555306 LOFGFMLZOREFMP-UHFFFAOYSA-N 412.534 3.024 0 40 HGAB COc1ccc(N2C[C@@H](C(=O)N3CCC[C@@H]3c3cc(OC)ccc3OC)CC2=O)cc1 19556298 FUGJBKKOCDVABN-HRAATJIYSA-N 424.497 3.429 0 40 HGAB COc1ccccc1CNC(=O)C1CCC2(CC1)CN(C)C(=O)c1ccccc1O2 19587841 YNQFHQPZWSCSFX-UHFFFAOYSA-N 408.498 3.405 0 40 HGAB COc1cc(OC)c2[nH]c(C)c(CN3CCN(Cc4ccccc4)CC3)c(=O)c2c1 19793369 ZPYWOXWZDLOEMI-UHFFFAOYSA-N 407.514 3.172 0 40 HGAB Cc1ccc([C@H](C)NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc1 20455037 LCMGQTBYTPGSDV-HNNXBMFYSA-N 422.934 3.160 0 40 HGAB COc1ccc([C@@H](c2sc3ncnn3c2O)N2CCN(c3ccccc3)CC2)cc1 22609451 ALPZGXZXMWFFLN-IBGZPJMESA-N 421.526 3.417 0 40 HGAB CN1CCN(c2nnc(SCC(=O)Nc3ccc(Cl)c(Cl)c3)s2)CC1 23139761 IMECWRIDOAKNFW-UHFFFAOYSA-N 418.375 3.328 0 40 HGAB CCn1c(=O)[nH]c(=O)c2cc(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cnc21 29108655 QWHKNLFNMQTRKZ-UHFFFAOYSA-N 412.755 3.029 0 40 HGAB CS(=O)(=O)Cc1cccc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)c1 29797687 BHXNMAXZSXFBNY-LJQANCHMSA-N 415.511 3.370 0 40 HGAB O[C@H](COCc1ccccc1Cl)Cn1nnc(-c2ccc(Br)cc2)n1 31561357 CXYZDWOYBMROOR-HNNXBMFYSA-N 423.698 3.334 0 40 HGAB CCOc1ncccc1CNC(=O)c1ccc(-n2c(C)nc3ccccc3c2=O)cc1 32787239 HIKDXGQURCRVQH-UHFFFAOYSA-N 414.465 3.418 0 40 HGAB CCCc1ccc(S(=O)(=O)NCCCN2CCO[C@H](c3ccccc3)C2)cc1 36700239 UGEAMOBNZNIPKZ-QFIPXVFZSA-N 402.560 3.381 0 40 HGAB O=C(Nc1ccc(Cl)cn1)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)s2)C1 40149854 RHSPPQRQVPWTDC-JTQLQIEISA-N 420.343 3.489 0 40 HGAB Cc1ccc(NC(=O)C[C@H]2C(=O)N(C[C@@H]3CCCO3)c3nc4ccccc4n32)cc1 40372453 AYXACZFYUCLBKI-PXNSSMCTSA-N 404.470 3.440 0 40 HGAB CCOc1ccccc1CCCNC(=O)c1cc(NS(C)(=O)=O)ccc1Cl 44850090 JLFBDFMFBFUJEY-UHFFFAOYSA-N 410.923 3.473 0 40 HGAB COc1ccc(N2C[C@@H](C(=O)Nc3ccc4c(c3)OC(C)(C)O4)CC2=O)cc1OC 47224992 MFJVCQSUZBWGST-ZDUSSCGKSA-N 412.442 3.203 0 40 HGAB Cc1cccc(N2CCN(C(=O)C[C@](O)(c3nc(C)cs3)C(F)(F)F)CC2)c1 48299018 LOMXZJQEBDCJKJ-SFHVURJKSA-N 413.465 3.249 0 40 HGAB Cc1nnnn1[C@H](Cc1ccc(F)cc1)C(=O)N1CCC(C(=O)c2ccccc2)CC1 48300581 ADYNVSIQISGSEN-OAQYLSRUSA-N 421.476 3.026 0 40 HGAB O=C(Nc1ccc2c(c1)OC(F)(F)O2)NC1CCN(C(=O)c2ccccc2)CC1 48314146 QUOBDYLPCFUBGQ-UHFFFAOYSA-N 403.385 3.434 0 40 HGAB CC(=O)N[C@@H](CC(=O)N1CCN(Cc2ccccc2F)CC1)c1ccc(Cl)cc1 48363107 RJLSCOIRNZPCRZ-NRFANRHFSA-N 417.912 3.391 0 40 HGAB Cc1ccc2c(=O)c(C(=O)Nc3ccc(F)cc3)cn(CC(=O)NC3CCCC3)c2n1 49002093 BSKDUTSFEDYNAI-UHFFFAOYSA-N 422.460 3.155 0 40 HGAB CN1CCN(CCCNCc2csc(-c3ncccn3)n2)[C@H](c2ccccc2)C1 58298877 LBIUZDZNVAJWBL-FQEVSTJZSA-N 408.575 3.069 0 40 HGAB Cc1ccc(-c2nnc(S)n2CC(=O)N(C)Cc2nc(C)c3ccccc3n2)cc1 58305065 NYCYODQWHWQZEH-UHFFFAOYSA-N 418.526 3.452 0 40 HGAB CCOC(=O)c1nnsc1NC(=O)CSc1ccc(Br)cc1 72277386 HJFWGRPSEXZLKA-UHFFFAOYSA-N 402.295 3.208 0 40 HGAB CCOc1ccc(CC(=O)OCC(=O)Nc2ccc(NC(C)=O)cc2)cc1OCC 72330960 SGFCJEQPLKMHEN-UHFFFAOYSA-N 414.458 3.167 0 40 HGAB O=C(Cn1nc2c3ccccc3nc(C3CC3)n2c1=O)N1CCC[C@H]2CCCC[C@@H]21 72347199 PKTBIENOZPBPLP-BEFAXECRSA-N 405.502 3.103 0 40 HGAB CN1C(=O)C[C@H](NC(=O)COc2ccc(Br)cc2)[C@H]1c1ccc(F)cc1 89374734 DBGSDQKUGTYSOQ-QFBILLFUSA-N 421.266 3.055 0 40 HGAB COc1cc2c(cc1OC)CC(=O)N(CC(=O)NCc1ccccc1Cl)C=C2 96230716 CVGNKAZQRQCSFX-UHFFFAOYSA-N 400.862 3.029 0 40 HGAB C[C@H](NCc1cn2ccsc2n1)c1cc2c(cc1Br)NC(=O)CO2 97161949 PPSZSXHWRMZBIL-VIFPVBQESA-N 407.293 3.340 0 40 HGAB CCc1noc(C)c1C(=O)N[C@@H](Cc1cc(O)n2nc(C)cc2n1)c1ccc(F)cc1 100220699 BXQUEKXSMHXNNU-SFHVURJKSA-N 423.448 3.455 0 40 HGAB O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)Nc1c(F)cc(F)cc1Br 102440290 NWYDFVJMFLQZDI-QWRGUYRKSA-N 415.234 3.231 0 40 HGAB Cn1c(SCc2cc(=O)n3nc(-c4ccccc4)[nH]c3n2)nnc1-c1ccccc1 102621303 XTCWLCUEWLGDFA-UHFFFAOYSA-N 415.482 3.172 0 40 HGAB COc1cccc(C2=NO[C@]3(C(=O)Nc4ccccc43)[C@@H]2C(=O)c2ccco2)c1OC 102870816 FIIIYFZIQSCGIP-MBSDFSHPSA-N 418.405 3.378 0 40 HGAB COC(=O)[C@H]1CC[C@@]2(O)[C@@H]3CC[C@@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC(=O)[C@]12C 118923314 HPLLIRHYKNUAJM-BKJDKMTOSA-N 406.519 3.044 0 40 HGAB O=C(C1CCN(S(=O)(=O)Cc2ccccc2F)CC1)N1CCCc2ccccc21 216238534 OXNOTILQYSIAJK-UHFFFAOYSA-N 416.518 3.347 0 40 HGAB O=C(CCCN1C(=O)c2ccccc2S1(=O)=O)Nc1ccccc1C(F)(F)F 219433392 OXBMJZXTDFELGP-UHFFFAOYSA-N 412.389 3.269 0 40 HGAB O=C(O[C@H]1C(=O)N(c2ccccc2)C(=O)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 219720745 UFSLLONQAFXJCD-WOJBJXKFSA-N 415.401 3.011 0 40 HGAB CCOC(=O)c1ccc(C)c(NC(=O)[C@@H](C)N(c2ccccc2F)S(C)(=O)=O)c1 220315686 BQEROCILOZZUTA-CQSZACIVSA-N 422.478 3.104 0 40 HGAB CC[C@H](C(=O)NCCCc1ccc(F)cc1)N(c1cccc(OC)c1)S(C)(=O)=O 220626623 KZXZSHDUTURDFL-HXUWFJFHSA-N 422.522 3.128 0 40 HGAB CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1cccc(C(C)=O)c1 222590678 FVMYKSHGYHOHJD-IBGZPJMESA-N 404.488 3.081 0 40 HGAB Cc1ccc(NS(=O)(=O)c2ccc(OCc3nnc(N)s3)cc2)cc1Cl 222642447 CZLARQDEYUXKMT-UHFFFAOYSA-N 410.908 3.462 0 40 HGAB CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(O)cc1 223664141 MKARHNAGBCBCPG-NHCUHLMSSA-N 422.510 3.114 0 40 HGAB COC(=O)c1cc(S(=O)(=O)Nc2ccccc2C(=O)N2CCCCC2)ccc1C 223823186 NGUKXSPZQOYIBR-UHFFFAOYSA-N 416.499 3.209 0 40 HGAB CCCCNS(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2Cl)s1 225209366 MHIQMQVPXJPWFL-UHFFFAOYSA-N 409.320 3.176 0 40 HGAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)N(C)c2ccc(F)cc2)cc1Cl 226061998 STKJNTSCHBULHX-UHFFFAOYSA-N 414.886 3.161 0 40 HGAB CO[C@H]1CC[C@H](C(=O)N2CCC(c3nc(O)cc(-c4nccs4)n3)CC2)CC1 257206678 BEMPAYMPSCHDEI-SHTZXODSSA-N 402.520 3.217 0 40 HGAB CN(Cc1ccc(F)cc1)C[C@@]1(O)CCCN(C(=O)c2n[nH]c3ccccc23)CC1 257214546 CMJZQTOQNXSDDO-HSZRJFAPSA-N 410.493 3.191 0 40 HGAB Cc1c(CN2CCO[C@H](c3cc(CCOc4ccc(Cl)cc4)[nH]n3)C2)cnn1C 257240321 HSZRICQTLWGDFK-NRFANRHFSA-N 415.925 3.300 0 40 HGAB CC(=O)N1[C@@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)c1cccnn1 257291639 QHXXLBSNHPJBCV-LYVDORBWSA-N 418.541 3.482 0 40 HGAB COc1ccc(Cc2cnc([C@H]3CCCN(S(=O)(=O)c4cccnc4)C3)o2)cc1 257333465 YBRKXXMFTRLRCH-KRWDZBQOSA-N 413.499 3.237 0 40 HGAB CCC(=O)NC[C@H]1CC[C@H](c2c(C(=O)NCCOC)sc3ncccc32)CC1 257367359 QIJIOKVWLNSYQE-SHTZXODSSA-N 403.548 3.473 0 40 HGAB C[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N[C@H](C)c1ccc2c(c1)CCC2 260951580 YMXPAPPNMBTCAX-HZPDHXFCSA-N 416.543 3.216 0 40 HGAB Cn1cc(CNC[C@@H]2CC[C@@H]3CN(C(=O)c4ccccc4)c4ccccc4CN23)cn1 306135232 OLJKWZVTIQXYAM-XZOQPEGZSA-N 415.541 3.203 0 40 HGAB Cc1cccc(CSCCNC(=O)CN(c2ccc(C)c(C)c2)S(C)(=O)=O)c1 408921928 CJIULWHWPQKPDZ-UHFFFAOYSA-N 420.600 3.427 0 40 HGAB CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C/c2cc(OC)c(OC)c(OC)c2)C1=O 409212105 OXXBDLDWWGBIRE-BTAWCLGRSA-N 409.460 3.090 0 40 HGAB C[C@H]1c2nc(CC(=O)NC3CCCC3)cn2CCN1C(=O)c1c[nH]c2ccccc12 585098777 ZZTUCGAEABZLSM-HNNXBMFYSA-N 405.502 3.183 0 40 HGAB O=C(c1cccnc1)N1CCN(c2nc3ccc(Br)cc3s2)CC1 585204177 RGXRVURDUVKSKP-UHFFFAOYSA-N 403.305 3.416 0 40 HGAB CCOC(=O)c1ccc(N2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)nc1 29292115 JVOIEDKWKIRHPZ-UHFFFAOYSA-N 407.392 3.240 0 40 HGAB Cc1c([C@H](C)NC(=O)c2ccc(NS(C)(=O)=O)cc2)cnn1-c1ccc(F)cc1 29282220 VUMDUBDKNBBBBQ-ZDUSSCGKSA-N 416.478 3.182 0 40 HGAB O=C(Cc1ccccc1)NN1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O 825766 HTKNIUAFTGPBAF-MXXWWZHRSA-N 408.457 3.153 0 40 HGAB O=C(NCc1ccccc1)c1nn2cc(Br)cnc2c1Br 844911 AJUOFIZUXYWTAL-UHFFFAOYSA-N 410.069 3.184 0 40 HGAB CC1(C)Oc2ccc(C(=O)Nc3ccccc3)cc2N(CC(=O)N2CCCC2)C1=O 1342377 QWESOFFSXYNDBM-UHFFFAOYSA-N 407.470 3.065 0 40 HGAB COc1ccc(CCN(C)C(=O)COc2ccc3c(C)cc(=O)oc3c2)cc1OC 2635016 YBHGNZKQDBLMAW-UHFFFAOYSA-N 411.454 3.199 0 40 HGAB COc1ccc(OC)c(NC(=O)c2cccc(N3C(=O)[C@H]4[C@H]5CC[C@H](C5)[C@@H]4C3=O)c2)c1 4145912 GFNWUJUEMOZKQF-ZVLVQXPOSA-N 420.465 3.492 0 40 HGAB C[C@H](NC(=O)CSc1nc2ncccc2c(=O)n1-c1ccccc1)c1ccco1 32885490 HFWQPETYAKITDB-AWEZNQCLSA-N 406.467 3.343 0 40 HGAB CCN1CCN(C(=S)c2ccc(OCC(=O)Nc3ccccc3)c(OC)c2)CC1 6953515 ONBZXSNMKJSYKS-UHFFFAOYSA-N 413.543 3.026 0 40 HGAB CC(=O)Nc1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccc(C)c(C)c2)cc1 8414346 PCIJUUICKLMUDX-UHFFFAOYSA-N 411.458 3.162 0 40 HGAB O=C(COC(=O)c1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)cc1)c1ccc(F)cc1 8722547 HQTZQRBVOIYZHP-GQSCTRQFSA-N 419.408 3.177 0 40 HGAB CC(C)[C@H](NS(=O)(=O)c1ccccc1)C(=O)OCc1nc2ccccc2s1 8761959 PEWUUBLJNVLVCE-SFHVURJKSA-N 404.513 3.343 0 40 HGAB COC(=O)c1ccc(NC(=O)CN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 57364160 JJDPCLBGVODUNJ-UHFFFAOYSA-N 421.419 3.253 0 40 HGAB O=C(NCCSc1ccc(Cl)cc1)NCc1cccnc1N1CCOCC1 26386440 DUVFRHBNPFNQPN-UHFFFAOYSA-N 406.939 3.163 0 40 HGAB CCc1c(-c2ccccc2)n(C2CCCCC2)c2nc3c(c(=O)n(C)c(=O)n3C)n12 719308 ZMUVVCSEOCGPIL-UHFFFAOYSA-N 405.502 3.421 0 40 HGAB O=C(CN1C(=O)S/C(=C/c2ccccc2F)C1=O)Nc1ccc2c(c1)OCO2 1101101 HTMFRGRSHCBGJK-FRKPEAEDSA-N 400.387 3.229 0 40 HGAB O=S(=O)(c1ccc(CN2CCC(OCc3ccccc3)CC2)o1)N1CCCC1 47698402 SDWKZJCEJQHADD-UHFFFAOYSA-N 404.532 3.245 0 40 HGAB O=C(C1CCN(S(=O)(=O)Cc2c(F)cccc2Cl)CC1)N1CCCCCC1 24613340 PWLQPNSEZXGGMR-UHFFFAOYSA-N 416.946 3.424 0 40 HGAB Cc1cccc(N2CCN(CN3C(=O)C(=O)c4cc(Br)ccc43)CC2)c1 20615330 HGVKKTPAEKDXQR-UHFFFAOYSA-N 414.303 3.067 0 40 HGAB COc1ccc(N2C(=O)c3ccccc3N(C)[C@H]2c2ccc(OCC(N)=O)cc2)cc1 12561426 JHNUTLNPXFSXRR-HSZRJFAPSA-N 417.465 3.355 0 40 HGAB CCn1c(=O)n(CCC(=O)OCc2cc(Cl)c3c(c2)OCO3)c2ccccc21 26294241 BQIAAGZLMVFCGM-UHFFFAOYSA-N 402.834 3.339 0 40 HGAB O=C(CSc1nc2[nH]ncc2c(=O)n1-c1ccccc1)Nc1ccc(F)cc1F 51316703 LGDKJZNKBVFQOG-UHFFFAOYSA-N 413.409 3.118 0 40 HGAB CC(C)CCn1c(=O)c2sccc2n(CC(=O)NCCCc2ccccc2)c1=O 57426670 HJYIHXSBSRAKRV-UHFFFAOYSA-N 413.543 3.020 0 40 HGAB COc1ccc(CN(Cc2nc3ccccc3s2)[C@@H]2CCS(=O)(=O)C2)cc1 27650174 ZJKUHLPZBWWBKB-MRXNPFEDSA-N 402.541 3.494 0 40 HGAB O=C(COc1ccc2c3c(c(=O)oc2c1)CCC3)Nc1ccccc1N1CCOCC1 3361071 LURDFGCKTXDZAR-UHFFFAOYSA-N 420.465 3.136 0 40 HGAB NC(=O)c1ccc(COC(=O)Cc2csc(COc3ccc(F)cc3)n2)cc1 10757040 ABOQQQZQFUEDLL-UHFFFAOYSA-N 400.431 3.246 0 40 HGAB OCCCNc1nc(Nc2ccc3c(c2)OCO3)c2cnn(-c3ccccc3)c2n1 28406107 ORSVVVJJUPNKCD-UHFFFAOYSA-N 404.430 3.082 0 40 HGAB O=S(=O)(NCc1ccccc1Cn1cccn1)c1ccc(OC(F)(F)F)cc1 10959225 XBWVNPLYJXKUAK-UHFFFAOYSA-N 411.405 3.309 0 40 HGAB COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)c1cc(=O)c2cc(C)ccc2o1 12790234 RGHHXLMCQVPILA-UHFFFAOYSA-N 414.845 3.474 0 40 HGAB CCCOc1ccc(N(CC(=O)N[C@@H](C)c2ccc(OC)cc2)S(C)(=O)=O)cc1 22397427 IAOMGWVWMGGROR-INIZCTEOSA-N 420.531 3.127 0 40 HGAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)CC2)cc1 12880094 ZKUJGDGDABVLPI-XGHQBKJUSA-N 422.591 3.427 0 40 HGAB O=C(/C=C/c1ccc(N2CCCC2=O)cc1)N[C@@H](CN1CCOCC1)c1ccccc1 12824289 PRMBMGILWRRORU-YYVWFHOOSA-N 419.525 3.016 0 40 HGAB COc1cc(CNC(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)cc(OC)c1OC 12885548 GZRHELLNVTWBRV-NSHDSACASA-N 402.472 3.075 0 40 HGAB COc1cc(C(=O)O[C@@H](C)C(N)=O)cc(Br)c1OCc1ccccc1 3433370 QWOJBSPBSJFTSI-NSHDSACASA-N 408.248 3.067 0 40 HGAB NC(=O)c1cc(NC(=O)[C@]23CCC(=O)N2c2cc(Cl)ccc2S3)ccc1F 64386099 MBNXIMPTQSEQPE-GOSISDBHSA-N 405.838 3.146 0 40 HGAB CC1CCN(S(=O)(=O)c2ccc(OCC(=O)NCCC3=CCCCC3)cc2)CC1 408610844 WGKLOHLNXAYXRF-UHFFFAOYSA-N 420.575 3.493 0 40 HGAB COc1cc(CCNC(=O)c2nn(-c3ccccc3)nc2C)ccc1OC(F)F 18204925 QCUCGVLKCNFCMF-UHFFFAOYSA-N 402.401 3.158 0 40 HGAB COc1cc(C(=O)NCc2ccc(CN3CCOCC3)cc2)cc(Cl)c1OC 18217117 PDTSKHPSVLAMAO-UHFFFAOYSA-N 404.894 3.119 0 40 HGAB Cc1ccc(-n2ncc3c(=O)[nH]c(SCC(=O)N(C)c4ccccc4)nc32)cc1 14199422 IOTLELSHFOERCL-UHFFFAOYSA-N 405.483 3.172 0 40 HGAB CN(C(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1)[C@@H]1CCS(=O)(=O)C1 6590637 JMXLHCOMSNXXCJ-MRXNPFEDSA-N 415.540 3.114 0 40 HGAB CCCCCn1c(=O)c2ccccc2n2c(CN3C(=O)c4ccccc4C3=O)nnc12 5689827 VELCISPVHIBPHJ-UHFFFAOYSA-N 415.453 3.031 0 40 HGAB O=C(NCc1ccccc1Cl)c1ccc(S(=O)(=O)NCc2ccco2)cc1 6785886 WQQOMCWHTWTGOU-UHFFFAOYSA-N 404.875 3.342 0 40 HGAB O=C(Nc1cccnc1Cl)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 7683721 YPKHSJUKXQHECH-CQSZACIVSA-N 400.287 3.180 0 40 HGAB CC(C)CNC(=O)NC(=O)CSc1nnc(-c2c[nH]c3ccccc23)n1C1CC1 7790462 OJHGRKMBOSPZOZ-UHFFFAOYSA-N 412.519 3.335 0 40 HGAB COc1ccc(NC(C)=O)cc1S(=O)(=O)N1CCCCC[C@@H]1c1cccn1C 8187318 QIMIKUDEOWOKTC-GOSISDBHSA-N 405.520 3.298 0 40 HGAB Cc1cc(C)n(CCCNC(=O)c2ccc(-n3c(C)nc4ccccc4c3=O)cc2)n1 8340921 MHDZNIMQHQRZRX-UHFFFAOYSA-N 415.497 3.328 0 40 HGAB COc1ccccc1C(=O)NCC(=O)Nc1ccc(-c2cn3ccsc3n2)cc1 9378457 JHHQEKRHOOXDJB-UHFFFAOYSA-N 406.467 3.440 0 40 HGAB Cc1c(CC(=O)NCCN(C)C)c(=O)oc2cc3c(cc12)CCC1(CCCCC1)O3 9418990 XXUPDADZLOOOBT-UHFFFAOYSA-N 412.530 3.350 0 40 HGAB CCCNC(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1 409132984 PUDVFZFDWLKZDP-UHFFFAOYSA-N 400.422 3.427 0 40 HGAB O=C1O[C@@H](c2ccccc2)Cc2cc(C(=O)N3CCN(c4ccccn4)CC3)ccc21 9883754 AOYSGPXHFVABNJ-JOCHJYFZSA-N 413.477 3.498 0 40 HGAB Cc1cc(N2CCN([C@H](C)C(=O)N3CCCc4ccccc43)CC2)nc(C(C)C)n1 84111527 XSOZVQPLFVWZBT-LJQANCHMSA-N 407.562 3.398 0 40 HGAB O=C(Nc1ccc2c(c1)OCCCO2)[C@H]1CSCN1C(=O)/C=C/c1ccccc1 97124349 PEXGJJIVAYGRPX-RUJXFNLJSA-N 410.495 3.401 0 40 HGAB CCc1ccc(-c2cc3c(=O)n(CC(=O)Nc4c(C)cccc4C)ncn3n2)cc1 67208817 IGECMIURZKCIII-UHFFFAOYSA-N 401.470 3.376 0 40 HGAB COc1ccc(N(CCC(N)=O)C(=O)CN(C)Cc2cccc(Cl)c2Cl)cc1 22010564 RGWAASBUWRKQOK-UHFFFAOYSA-N 424.328 3.342 0 40 HGAB O=C(CCc1ccc2c(c1)OCO2)N1N=C(c2ccc(F)cc2)C[C@]1(O)C(F)(F)F 408563867 REGVENOBEPZEFG-IBGZPJMESA-N 424.350 3.375 0 40 HGAB CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)O)c2cc(Cl)cc(Cl)c2)cc1 113871156 GLNFDMDGPXMKMZ-UHFFFAOYSA-N 417.270 3.232 0 40 HGAB CN(C)C(=O)c1ccc(NC(=O)COc2ccc(I)cc2)cc1 22318920 OXDMEGNDQXMQOU-UHFFFAOYSA-N 424.238 3.011 0 40 HGAB Cc1cc(C(C)(C)C)ccc1OS(=O)(=O)c1cccc(S(=O)(=O)N(C)C)c1 24252736 MPXRBBMZRPQQPY-UHFFFAOYSA-N 411.545 3.311 0 40 HGAB COc1cc(C)ccc1OCc1nnc(SCC(=O)NC2CCCCC2)n1C 409342433 DYJMTYSVERJAOV-UHFFFAOYSA-N 404.536 3.252 0 40 HGAB CCOC(=O)c1c(NC(=O)CN(C)[C@H](C)c2cccs2)sc(C(N)=O)c1C 552991387 GYUSVVSFANLJAF-LLVKDONJSA-N 409.533 3.025 0 40 HGAB Cc1ccccc1NC(=O)Cn1cnc2nc(N(C)Cc3ccccc3)sc2c1=O 67225720 IWOFILANAJAYJB-UHFFFAOYSA-N 419.510 3.437 0 40 HGAB Cc1ccc(CNC(=O)CN(c2ccc(Cl)cc2Cl)S(C)(=O)=O)cc1 409410329 MLHHXMWGFBPXDV-UHFFFAOYSA-N 401.315 3.384 0 40 HGAB CC(C)N1C[C@]2(CCN(Cc3ccccc3F)C2)Oc2ccccc2S1(=O)=O 306134339 NJLSFKYGYCHUHM-OAQYLSRUSA-N 404.507 3.262 0 40 HGAB COc1cc2c(cc1OC)[C@H](NC(=O)[C@@H]1CCCN(c3nc(C)cc(C)n3)C1)CC2 524734017 NWEYKBDZPHWNDE-IEBWSBKVSA-N 410.518 3.131 0 40 HGAB CCCC(=O)N1CCO[C@](Cc2ccc(-c3cccs3)cc2)(C(=O)N(C)C)C1 72389234 DFFHAEYJQZKTQC-QFIPXVFZSA-N 400.544 3.444 0 40 HGAB COc1ccc(CCNC(=O)c2cc(OC)c(OC)cc2-n2cccc2)cc1OC 32100361 YQUXMFLPTZVVEQ-UHFFFAOYSA-N 410.470 3.484 0 40 HGAB Cc1ccc(NC(=O)COc2cccc(/C=C3/C(=O)N(C)C(=S)N=C3O)c2)cc1C 33595986 DEPKEVAUVNMXTR-WOJGMQOQSA-N 423.494 3.418 0 40 HGAB CP(C)(=O)c1c(N=c2[nH]c(Cl)ncc2Br)ccc2nccnc12 2362797601 QRIHOXJOHDUSCR-UHFFFAOYSA-N 412.615 3.249 0 40 HGAB COc1ccc(NC(=O)CC2(N3Cc4ccccc4C3=O)CCN(C(C)=O)CC2)cc1 1565524347 JNSIAZCBAIRFES-UHFFFAOYSA-N 421.497 3.061 0 40 HGAB CN(C)C(=O)c1c[nH]nc1[C@@H]1CCCN(C(=O)c2cccc(N3CCCCC3)c2)C1 72344737 OEDKGAGIBUFIMV-GOSISDBHSA-N 409.534 3.122 0 40 HGAB CC[C@@H](C(=O)NCCOc1ccc(C)cc1)N(c1ccc(C)cc1)S(C)(=O)=O 219097915 MENWDMSMNXVVKQ-FQEVSTJZSA-N 404.532 3.043 0 40 HGAB CC[C@H](C)[C@@H](NC(=O)N1CCc2[nH]cnc2[C@@H]1c1ccc(F)c(Cl)c1)C(=O)OC 211071779 GCFGODKLZVWZJP-LSKLOWJMSA-N 422.888 3.447 0 40 HGAB Cc1cc2c(=O)[nH]c(CSCC(=O)Nc3ccc4oc(=O)ccc4c3)nc2s1 44894050 FSTXGRFOFDAZLZ-UHFFFAOYSA-N 413.480 3.271 0 40 HGAB COc1ccc(OC)c(NC(=O)CCCN(c2ccccc2C)S(C)(=O)=O)c1 222550616 RPXPADMFMLQUDF-UHFFFAOYSA-N 406.504 3.197 0 40 HGAB COc1ccc(C(=O)N2CCC(C(N)=O)CC2)cc1COc1ccccc1Cl 224137303 WUSNNILZVAXZES-UHFFFAOYSA-N 402.878 3.265 0 40 HGAB Cc1nn(-c2ccc3nnc(C)n3n2)c2c1[C@H](c1ccc(O)c(Cl)c1)CC(O)=N2 40267267 LVDJAKWNGRNJHH-LBPRGKRZSA-N 409.837 3.409 0 40 HGAB Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(Nc4ccc(F)cc4)[nH]c(=O)c32)cc1 40399605 ZQVJHBPYEOJEFU-HNNXBMFYSA-N 407.405 3.026 0 40 HGAB Cc1ccccc1-n1c(CC2CCN(C(=O)/C=C\c3cccs3)CC2)n[nH]c1=O 225548134 JABDWSIKQABJHF-HJWRWDBZSA-N 408.527 3.425 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)NCC1CCCCC1 225204683 LZZZZOVTUCRSIT-UHFFFAOYSA-N 408.564 3.109 0 40 HGAB COC(=O)c1cn(S(=O)(=O)c2ccc(OC)c(Br)c2)c2ccccc12 222595937 NMNIUCBKXPVQMW-UHFFFAOYSA-N 424.272 3.436 0 40 HGAB C[C@H](C(=O)NCCOc1cccc2ccccc12)N(c1ccccc1)S(C)(=O)=O 223520672 QPWFDZXYKOPGJA-QGZVFWFLSA-N 412.511 3.190 0 40 HGAB COc1ccc(N([C@@H](C)C(=O)Nc2ccccc2Cl)S(C)(=O)=O)cc1OC 220225861 OTKNZMYJZXNJAW-LBPRGKRZSA-N 412.895 3.150 0 40 HGAB Cc1cc(OCC(=O)Nc2cccc(F)c2)nc(N2CCN(c3ccccc3)CC2)n1 48985723 WNWGNPNWFPMGPI-UHFFFAOYSA-N 421.476 3.268 0 40 HGAB Cc1cccc(N(CCCC(=O)NCCc2ccc(F)cc2)S(C)(=O)=O)c1C 224743125 CAMSJBRCRGHPPY-UHFFFAOYSA-N 406.523 3.348 0 40 HGAB Cn1c(CN2CCSCC2)cc(=O)c(O)c1CN1C[C@]2(C)C[C@H]1CC(C)(C)C2 95479253 PCEHZJKJJZXXTI-VGOFRKELSA-N 405.608 3.040 0 40 HGAB Cc1nc([C@@H]2CCN(C(=O)COC(C)C)C2)nc2c1CCC(=O)N2Cc1ccccc1 257258190 KSSXOUQXBIAJNK-LJQANCHMSA-N 422.529 3.005 0 40 HGAB CC(C)N1CCC(C(=O)N2CCC[C@H](c3cccc(Nc4cnccn4)n3)C2)CC1 257284149 PBJZHWAWNJCVIX-IBGZPJMESA-N 408.550 3.442 0 40 HGAB CCN(CC)CCN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccc(C)cc1 5794609 UBSPZVHZVXBAKD-UHFFFAOYSA-N 404.532 3.303 0 40 HGAB COc1ccc2c(c1)CN(C(C)=O)C[C@H]([C@@H]1CCCN(Cc3ccncc3C)C1)O2 12135345 NWGAKYWNWYAROQ-HYBUGGRVSA-N 409.530 3.420 0 40 HGAB COCCN(C(=O)c1cccc2ncccc12)c1nc2c(s1)CCc1c-2cnn1C 12146086 NQXWOIAVPAFHHE-UHFFFAOYSA-N 419.510 3.484 0 40 HGAB O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)Nc1ccnn1Cc1cccc(Cl)c1 14023625 SIUVADKCMAIPRW-IRXDYDNUSA-N 414.893 3.089 0 40 HGAB COc1ccc(C2(C(=O)N[C@@H](c3cc(=O)[nH]c(-c4ccncc4)n3)C(C)C)CC2)cc1 19445713 RDQQFJPKXAQILN-OAQYLSRUSA-N 418.497 3.386 0 40 HGAB Cc1nc([C@@H]2CCCN2C(=O)c2snnc2C)ncc1C(=O)Nc1ccccc1 19755576 CHMYHLXVPBKETP-INIZCTEOSA-N 408.487 3.175 0 40 HGAB CCCc1ncc(CN2CCC[C@@H](c3ncc(Cl)cc3S(C)(=O)=O)C2)cn1 19525744 XBDORXSUEQIGAM-OAHLLOKOSA-N 408.955 3.261 0 40 HGAB Cc1ncc(C(=O)N(C)C)c([C@H]2CC[C@H](CNC(=O)Cc3ccc(F)cc3)CC2)n1 257214684 CNAQNUJWHHNZKW-IYARVYRRSA-N 412.509 3.259 0 40 HGAB CN(Cc1c(F)cccc1Cl)Cn1nc(-c2ccco2)n(CCC(N)=O)c1=S 29502439 FHXQJTJFYGPCLG-UHFFFAOYSA-N 423.901 3.431 0 40 HGAB COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)C[C@H]1OC(=O)c2ccccc21 32966586 XEUUABQOCGFZKR-QGZVFWFLSA-N 402.834 3.047 0 40 HGAB Nc1nc(CC(=O)N(c2ccccc2)C2(C(=O)Nc3ccccc3)CCCCC2)n[nH]1 1070008 GHCCBQOKOWTQLC-UHFFFAOYSA-N 418.501 3.304 0 40 HGAB COc1ccc(C(=O)N(c2cccc(Cl)c2)[C@@H]2C=CS(=O)(=O)C2)c(OC)c1 4165241 WONRXIJCWHFTPO-OAHLLOKOSA-N 407.875 3.315 0 40 HGAB Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2CNC(=O)c2c(F)cccc2F)c1 4569679 NRUOEPKVYXJVJR-OAHLLOKOSA-N 408.470 3.165 0 40 HGAB CCOc1cc(CNC(=O)N[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)ccc1OC 5188648 POKWMQOEJICINZ-SFHVURJKSA-N 411.502 3.315 0 40 HGAB COc1cccc(-c2nc(C(N)=O)c3[nH]c(=O)n(-c4ccc(C(C)(C)C)cc4)c3n2)c1 5143490 WVZZSEIMGSYOOF-UHFFFAOYSA-N 417.469 3.181 0 40 HGAB Cc1nc2c(=O)n(CC(=O)NCCc3ccccc3)nc(-c3cccs3)c2s1 8956020 LSJPMRNCJOHONU-UHFFFAOYSA-N 410.524 3.249 0 40 HGAB Cc1ccc2c(c1)N[C@@H](C(=O)Nc1ccc(Oc3ccccc3)cc1)NS2(=O)=O 12414564 GEVLNBYDKULJMZ-HXUWFJFHSA-N 409.467 3.456 0 40 HGAB Cc1ccc(-n2ncc3c(O)nc(-n4nc(C)cc4NC(=O)C4CCCC4)nc32)cc1 16839198 ZKJFYOGVDDRUSP-UHFFFAOYSA-N 417.473 3.452 0 40 HGAB COc1ccccc1NC(=O)CSC1=NS(=O)(=O)c2cc(Cl)ccc2N1 9761981 YWXMAQZMASYGEF-UHFFFAOYSA-N 411.892 3.191 0 40 HGAB O=C1OC(c2ccccc2)=N/C1=C\c1ccc(SC(=S)N2CCOCC2)o1 13574826 CVDYELAETGDUMM-QINSGFPZSA-N 400.481 3.333 0 40 HGAB COc1ccc(CCN2C[C@H](C(=O)N[C@@H](c3ccccc3)C3CC3)CC2=O)cc1OC 40024450 UPDWNXMQMWDPAX-YKSBVNFPSA-N 422.525 3.362 0 40 HGAB Cc1ccc(-n2nnc(CC(=O)Nc3ccc(F)c(N4CCCC4=O)c3)c2C)cc1 40158618 PNKOSYQKQNHMKG-UHFFFAOYSA-N 407.449 3.331 0 40 HGAB O=C(CN1CCCC[C@@H]1CNC(=O)Nc1ccccc1)NCCc1cccs1 30590261 VZYZLICLAKJXKV-GOSISDBHSA-N 400.548 3.083 0 40 HGAB COc1cc(OC)c([C@H]2SCCN2S(=O)(=O)c2cccc(C)c2)cc1OC 855081 ANTVIGMAZNVPEH-LJQANCHMSA-N 409.529 3.457 0 40 HGAB O=C(CSc1nnc(-c2ccc(F)cc2)o1)Nc1ccc(C(=O)NC2CC2)cc1 1330163 NOPYZDYXNMCPNN-UHFFFAOYSA-N 412.446 3.499 0 40 HGAB O=C1NC2(CCC3(CC2)NC(=O)N(c2ccc(Cl)cc2)N3)NN1c1ccccc1 1391990 MIBXRLODKCZQAY-UHFFFAOYSA-N 412.881 3.075 0 40 HGAB Cc1ccccc1-n1c(SCC(N)=O)nc2sc3c(c2c1=O)CC(C)(C)OC3 2365224 XGWKBAAGSNTXFI-UHFFFAOYSA-N 415.540 3.184 0 40 HGAB CCOC(=O)c1c(NC(=O)/C=C/c2ccc(OC)c(OC)c2)sc(C(N)=O)c1C 2736812 WCEWQJIEGVHTLQ-VQHVLOKHSA-N 418.471 3.001 0 40 HGAB CCOc1ccc(NC(=O)C(=O)c2cn(CC(=O)N3CCCC3)c3ccccc23)cc1 3007640 VTOOCYWOKUKTIC-UHFFFAOYSA-N 419.481 3.484 0 40 HGAB COc1ccc2c(c1OC)C(=O)N1[C@@H]2SC(C)(C)[C@H]1C(=O)NCc1ccccc1 4081969 HPJWTSVODTZURB-WIYYLYMNSA-N 412.511 3.369 0 40 HGAB biogenic Cc1c(Cl)cccc1N1CCCn2c1nc1c2c(=O)n(CCC(C)C)c(=O)n1C 4249387 NQDJWDHYPWNDLP-UHFFFAOYSA-N 415.925 3.446 0 40 HGAB Cc1c(Cl)cccc1NC(=O)COC(=O)c1ccc(N2C(=O)CCC2=O)cc1 4351911 QWFVAZBUNFCULI-UHFFFAOYSA-N 400.818 3.097 0 40 HGAB CCc1nnc(SCC(=O)Nc2cccc(Br)c2)n1-n1cccc1 4518518 PFJNMYKWFQBNAX-UHFFFAOYSA-N 406.309 3.447 0 40 HGAB O=C(CCCCCn1c(=O)[nH]c2ccsc2c1=O)NCCc1ccc(Cl)cc1 4790309 XQEWFCNGXJHAFZ-UHFFFAOYSA-N 419.934 3.324 0 40 HGAB CC(C)(C)NC(=O)[C@@H](c1ccncc1)N(Cc1cccs1)C(=O)c1csnn1 4857884 SJVJPCWXLNGPOG-MRXNPFEDSA-N 415.544 3.293 0 40 HGAB COc1ccc2c(CN3C(=O)N[C@@]4(CCCc5sccc54)C3=O)cc(=O)oc2c1 5679964 UVVGHRPFKQFNDB-OAQYLSRUSA-N 410.451 3.147 0 40 HGAB COC(=O)c1ccc(Cl)cc1NC(=O)c1ccc(S(=O)(=O)C(F)F)cc1 6626197 LJIHNRRVANMNSX-UHFFFAOYSA-N 403.790 3.375 0 40 HGAB CCOc1cccc(C(=O)NC(=S)Nc2sc3c(c2C(N)=O)CC[C@H](C)C3)c1 6657199 UYDKMGIKWVPUHC-NSHDSACASA-N 417.556 3.497 0 40 HGAB CC(C)n1nccc1N(CC(=O)N(C)C1CCCCC1)S(=O)(=O)c1ccccc1 7016508 INTLQMDTGGAXHT-UHFFFAOYSA-N 418.563 3.450 0 40 HGAB O=C(Cn1c(=O)oc2ccccc21)Nc1ccc(-c2nnc3n2CCCCC3)cc1 7407324 SVESLYLJQNABMV-UHFFFAOYSA-N 403.442 3.218 0 40 HGAB O=c1c(Cl)c(NC[C@@H]2COc3ccccc3O2)cnn1-c1nc2ccccc2[nH]1 8156989 MUENASJPJIXVOF-GFCCVEGCSA-N 409.833 3.014 0 40 HGAB C[C@]1(c2ccc3c(c2)OCCCO3)NC(=O)N(CCOc2ccccc2Cl)C1=O 8193529 ZQNJQZYLFCZJTP-OAQYLSRUSA-N 416.861 3.347 0 40 HGAB O=C(NCC(=O)N1CCC(Cc2ccccc2)CC1)c1ccc(Br)o1 8289675 CRFUXWVBOJEFEH-UHFFFAOYSA-N 405.292 3.253 0 40 HGAB COc1ccc([C@H]2N=C3NCN(Cc4ccco4)CN3c3nc4ccccc4n32)cc1 9262570 CDNHGMAUUMWXGQ-NRFANRHFSA-N 414.469 3.381 0 40 HGAB C[C@@]1(c2ccc3c(c2)OCO3)NC(=O)N(Cc2ncc(-c3ccc(F)cc3)o2)C1=O 9336573 WDGHFQQNWDNLMN-NRFANRHFSA-N 409.373 3.177 0 40 HGAB C[C@@H](NC(=O)C(=O)NC[C@@H](c1cccnc1)N1CCc2ccccc21)c1ccccc1 9708091 UXHFHQHVAQQBRI-JPYJTQIMSA-N 414.509 3.179 0 40 HGAB Cn1c(=O)n(Cc2c(F)cccc2Cl)c(=O)c2c1nc1oc(-c3ccccc3)cn12 9789636 WJGTUJBZEHMKOX-UHFFFAOYSA-N 424.819 3.449 0 40 HGAB COc1cccc(CNC(=O)C[C@H]2CCCCN2S(=O)(=O)c2ccc(F)cc2)c1 11612904 JUORZWZTPGSNMP-GOSISDBHSA-N 420.506 3.084 0 40 HGAB O=S1(=O)c2ccccc2[C@H](O)[C@@H](Cc2c[nH]c3ccccc23)N1Cc1ccncc1 12324633 IPBXYRWZQMLCNI-GGAORHGYSA-N 419.506 3.412 0 40 HGAB CS(=O)(=O)Nc1ccc(-c2csc(NC(=O)c3ccc4[nH]cnc4c3)n2)cc1 12559098 VAIMJBMAYMDICP-UHFFFAOYSA-N 413.484 3.310 0 40 HGAB COc1cc(NC(=O)CCn2nc(-c3cccs3)oc2=O)c(OC)cc1Cl 12770939 POUSULGGGIAERS-UHFFFAOYSA-N 409.851 3.264 0 40 HGAB COc1cc(NC(=O)c2sccc2S(=O)(=O)N2CCCCC2)cc(OC)c1 12780786 SBOPWPXNEVMTSK-UHFFFAOYSA-N 410.517 3.192 0 40 HGAB CCN(CC)C(=O)CN1CCCN(c2ncnc3sc4c(c23)CC[C@H](C)C4)CC1 12855346 CVRGDJYUQLNTKM-INIZCTEOSA-N 415.607 3.197 0 40 HGAB O=C(c1ccc(S(=O)(=O)C(F)F)cc1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 12879230 QVTYPALFZCPOGY-INIZCTEOSA-N 423.437 3.431 0 40 HGAB Cc1nn(CN2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)c(=S)s1 12979441 JUIPETPRTPNARA-UHFFFAOYSA-N 412.606 3.070 0 40 HGAB Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1 12987838 DNRFRJUNSYKMNE-ZDUSSCGKSA-N 408.907 3.495 0 40 HGAB CC(C)n1cc(/C=C2\SC(=O)N(CC(=O)N3CCOCC3)C2=O)c2ccccc21 13037987 OZDFYFFAIPPSHR-WQRHYEAKSA-N 413.499 3.117 0 40 HGAB CC(C)(C)N(Cc1ccccc1)C(=O)COC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 13157478 STYDZHILBJJFQC-OAQYLSRUSA-N 422.525 3.406 0 40 HGAB C[C@H](Sc1nc(Cl)nc2[nH]cnc12)C(=O)NCCc1c[nH]c2ccc(F)cc12 13549032 XQVWZKJCSSYVNA-VIFPVBQESA-N 418.885 3.466 0 40 HGAB CCOC(=O)c1ccc(NC(=O)c2ccc(N(C)S(=O)(=O)CC)cc2)c(C)c1 13669220 YKBRJQHUXBGDNW-UHFFFAOYSA-N 404.488 3.210 0 40 HGAB CCCn1c(N)c(-c2csc(-c3ccc(Br)cc3)n2)c(=O)n(C)c1=O 14200696 JCPXWNWKTQOPLB-UHFFFAOYSA-N 421.320 3.092 0 40 HGAB Cc1cccc(C(C)C)c1NC(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1 14739621 SSBJTUYYCKTSNF-UHFFFAOYSA-N 415.559 3.307 0 40 HGAB C[C@@H]1CCC[C@@H](NC(=O)C2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)[C@@H]1C 14798964 CJDBEARHMRCKCG-HBUWYVDXSA-N 414.518 3.306 0 40 HGAB C[C@@H](C(=O)N(C)CC1CCN(CCc2cccc(C(F)(F)F)c2)CC1)n1cncn1 15071334 FGWLFUBMZBTAFD-INIZCTEOSA-N 423.483 3.271 0 40 HGAB Cc1cc2nc(COC(=O)c3ccc(NC(=O)c4ccccc4)cc3)cc(=O)n2o1 15772142 QDCUSDDOADKKJQ-UHFFFAOYSA-N 403.394 3.205 0 40 HGAB O=C(CCn1cnc2ccccc2c1=O)Nc1ccccc1C(=O)NC1CCCC1 16467893 CKAVPHJJADRUAA-UHFFFAOYSA-N 404.470 3.098 0 40 HGAB COc1nn(CC(=O)N2CCC[C@H](COc3ccccc3C)C2)c(=O)c2ccccc12 19237350 RLSOHPIUKSNGFB-SFHVURJKSA-N 421.497 3.031 0 40 HGAB O=C(N[C@H](Cc1ccccc1)c1ccc2c(c1)OCCO2)c1cc2c([nH]c1=O)CCC2 19370517 UZYBFIYLDAGQMI-OAQYLSRUSA-N 416.477 3.349 0 40 HGAB O=C(c1cc([C@H]2CCCN(Cc3ccnc4ccccc34)C2)no1)N1CCC(O)CC1 19376076 ZJSFQQHANDRQFO-SFHVURJKSA-N 420.513 3.199 0 40 HGAB CC[C@@H](C)C(=O)N1CC[C@@H](c2nc(O)c3c(n2)CCN(Cc2ccccc2OC)C3)C1 19499782 OQATWKUFUVPNCU-SJLPKXTDSA-N 424.545 3.111 0 40 HGAB CCn1cncc1C(=O)N1CC[C@@](Cc2ccc(-c3cccs3)cc2)(C(=O)NC)C1 19578339 FUSDJLVZZYQESY-QHCPKHFHSA-N 422.554 3.453 0 40 HGAB COc1ccc2c(c1)C=C(CN1CCO[C@@H](c3ccc(-c4cc[nH]n4)cn3)C1)CO2 19692466 NBYQHRLHZIIQBM-HSZRJFAPSA-N 404.470 3.330 0 40 HGAB NC(=O)c1[nH]c([C@@H]2CCCN(C(=O)COc3ccc(F)cc3)C2)nc1-c1ccccc1 19698947 JQCATCXCLVTVIB-MRXNPFEDSA-N 422.460 3.100 0 40 HGAB Cc1ccc([C@H]2CCCN2C(=O)c2ccc(=O)n(CC(=O)N3CCCCC3)c2)cc1C 19751156 XYBBPSGSLNBJFE-JOCHJYFZSA-N 421.541 3.455 0 40 HGAB CNc1cc(CN(C)C(C)=O)nc([C@@H]2CCCN2Cc2cc3c(cc2OC)CCC3)n1 19759255 BDHLJXIAVXIRJS-NRFANRHFSA-N 423.561 3.331 0 40 HGAB Cc1nc([C@@H]2CCCCN2C(=O)c2ccccn2)ncc1C(=O)NCc1ccccc1 19764461 PTPZLQWZBOEGRH-NRFANRHFSA-N 415.497 3.477 0 40 HGAB O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@H](c2ccccc2)N1CCN1CCOCC1 19882248 MLMOQVYKZMPGNP-FQEVSTJZSA-N 424.884 3.324 0 40 HGAB CC(C)CC(=O)N(CCC1=CCCCC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 21335327 FUNWRWRWUZQKSW-UHFFFAOYSA-N 424.545 3.437 0 40 HGAB CCOC(=O)[C@H]1CCCN(C(=O)CSc2nnc(-c3cccc(Cl)c3)o2)C1 21547779 MTIKGPHHIQFGEH-ZDUSSCGKSA-N 409.895 3.284 0 40 HGAB CCN(c1cc(OC)c(OC)cc1C(=O)Nc1ccc(C)cc1C)S(C)(=O)=O 22251868 MUPHCCQAIGMDKC-UHFFFAOYSA-N 406.504 3.359 0 40 HGAB Cc1cc2nc(C)c(CCC(=O)Nc3ccc(C(=O)c4nccn4C)cc3)c(C)n2n1 25924645 FGGNBZQLBFNKPT-UHFFFAOYSA-N 416.485 3.190 0 40 HGAB CSc1ccc(S(=O)(=O)NCc2ccccc2C)cc1C(=O)N1CCCC1 26114718 OHHQBFANBDUOIJ-UHFFFAOYSA-N 404.557 3.431 0 40 HGAB CCNc1nnc(SCc2nnc(C(=O)NCc3ccc(C)cc3)s2)s1 27595194 JFTAJWHOOKUBTF-UHFFFAOYSA-N 406.562 3.352 0 40 HGAB O=C(Nc1nc(-c2cccnc2)cs1)c1ccc(=O)n(CCOc2ccccc2)n1 29254845 AKNRYSHNUKMOSJ-UHFFFAOYSA-N 419.466 3.093 0 40 HGAB C[C@H](C(=O)Nc1cccc2ncccc12)N1CCN(C(=O)c2ccc(F)cc2)CC1 29661313 IIMJNTDPKUOMAJ-MRXNPFEDSA-N 406.461 3.159 0 40 HGAB C[C@@H](NC(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1)c1cccc(Br)c1 31286252 GJMPOSBZOKGPDC-UKRRQHHQSA-N 402.292 3.070 0 40 HGAB CC(=O)c1cc(Cl)ccc1OCC(=O)NCC1(N2CCOCC2)CCCCC1 31638914 GFDAZTSZOWQGOB-UHFFFAOYSA-N 408.926 3.073 0 40 HGAB CCOC(=O)COc1cccc(NS(=O)(=O)c2cccc(Br)c2)c1 32095569 VIKYGLVVTGFPFQ-UHFFFAOYSA-N 414.277 3.192 0 40 HGAB CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)[C@@H]1CCCN(c2cnccn2)C1 32777415 LZHZZYKFBDPGQY-CYBMUJFWSA-N 422.316 3.097 0 40 HGAB CC(C)(C)C(=O)N1CCC(C(=O)Nc2ccccc2C(=O)NCc2ccco2)CC1 32902766 RHJHETYVYCAPLH-UHFFFAOYSA-N 411.502 3.433 0 40 HGAB COc1ccccc1OCC(=O)NC1CCN(c2ccc(C(F)(F)F)cn2)CC1 32930172 XPZISVBPODZKME-UHFFFAOYSA-N 409.408 3.273 0 40 HGAB Cc1ccc2[nH]cc(CCN3C[C@@H](C(=O)Nc4ccc5c(c4)OCO5)CC3=O)c2c1 35558727 LXADSHQGBGBXIU-INIZCTEOSA-N 405.454 3.235 0 40 HGAB Cc1ccc(Nc2nc(C(=O)NCc3ccc(S(N)(=O)=O)cc3)cs2)c(C)c1 35596818 ITGQLGMKSQTFRA-UHFFFAOYSA-N 416.528 3.081 0 40 HGAB COc1cc(OC)cc(C(=O)N[C@@H](C(=O)N2CCC[C@H](C(F)(F)F)C2)C(C)C)c1 36694497 NVXRGOPLBCIBCY-WMLDXEAASA-N 416.440 3.259 0 40 HGAB C[C@@H](NC(=O)[C@H]1CN(S(C)(=O)=O)c2ccccc2O1)c1ccc(C(C)(C)C)cc1 38772924 SVFROSNKODDRPG-FOIQADDNSA-N 416.543 3.389 0 40 HGAB CC(C)NC(=O)Cc1ccc(NC(=O)NCCc2cc(F)cc3c2OCOC3)cc1 47839362 AOWNXQOEACZCLA-UHFFFAOYSA-N 415.465 3.124 0 40 HGAB O=C(NCC1(c2ccc(F)cc2)CCOCC1)[C@@H]1CC(c2cccc(F)c2)=NO1 56251392 JCIAHLMXDMRCAO-FQEVSTJZSA-N 400.425 3.322 0 40 HGAB COc1ccc(OC)c(NC(=O)Cn2c(Nc3cccc(F)c3)nc(C)cc2=O)c1 57506145 QFDSBNZSHYVZBZ-UHFFFAOYSA-N 412.421 3.090 0 40 HGAB O=C1NC2=C(C(=O)N(CCc3ccccc3)C2)[C@@H](c2ccccc2C(F)(F)F)N1 57531450 YMSFHHBTXISOEI-GOSISDBHSA-N 401.388 3.398 0 40 HGAB Cc1nc(-c2ccccc2)sc1C(=O)N1CCC[C@@H](CNS(=O)(=O)C(C)C)C1 58264589 KXAQNDSLTYNTBP-INIZCTEOSA-N 421.588 3.299 0 40 HGAB CC(C)n1ncc2cc(NC(=O)NC[C@@H]3CN(Cc4ccccc4)CCO3)cnc21 69489746 XEMRDKVAZVGCEA-HXUWFJFHSA-N 408.506 3.035 0 40 HGAB CCOc1ccccc1NC(=O)Cn1nnc(C(=O)Nc2cc(F)ccc2C)c1C 71327294 SJRJEVNAWMIPDA-UHFFFAOYSA-N 411.437 3.324 0 40 HGAB O=S(=O)(c1cc(F)cc(F)c1)c1cnc2ccc(F)cc2c1N1CCC[C@@H]1CO 71775290 TWUPUMXXCTWNGL-OAHLLOKOSA-N 422.428 3.446 0 40 HGAB CCCC(=O)Nc1ccc([C@H]2OCC(=O)N(Cc3ccc(F)cc3)[C@@H]2CO)cc1 72321399 XXPCVGGUQIMSMZ-DENIHFKCSA-N 400.450 3.025 0 40 HGAB biogenic,in-vitro O=C(NC1CCCC1)c1cc([C@@H]2CCCCN2C(=O)COc2ccc(F)cc2)n[nH]1 72380709 LWGOAELFXZRPRE-FQEVSTJZSA-N 414.481 3.354 0 40 HGAB COc1ccc(NC(=O)[C@@H]2CCCN(c3ccc(-c4nc(C)no4)cn3)C2)cc1F 77100772 ISVRCLSYOLYKEU-OAHLLOKOSA-N 411.437 3.443 0 40 HGAB Cc1ccc(Cl)c(C(=O)O)c1NS(=O)(=O)c1ccc(N2CCCC2=O)cc1 79066351 XJIICKFOASBXGO-UHFFFAOYSA-N 408.863 3.274 0 40 HGAB O=C(c1ccc2ccccc2c1)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 89878700 SRUMZXMOLCRUKZ-UHFFFAOYSA-N 416.449 3.265 0 40 HGAB COc1ccc([C@@](C)(O)[C@H]2CCCN2C(=O)Nc2ccc(C(N)=O)c(Cl)c2)cc1 89904820 OBPICHLUTZHFJA-WIYYLYMNSA-N 417.893 3.352 0 40 HGAB C[C@@H](COCC(F)(F)F)NC(=O)[C@]12CCC(=O)N1c1cc(Cl)ccc1S2 95385603 KNFSTNWCRKMBCQ-BJOHPYRUSA-N 408.829 3.352 0 40 HGAB COc1ccc([C@@H]2C=C(C(=O)O)Nc3c(C(=O)Nc4ccccc4C)cnn32)cc1 101299788 NQJQDKISZLUJJS-IBGZPJMESA-N 404.426 3.436 0 40 HGAB CCc1c(C)c2ccc(OCC(=O)NC[C@H]3CC[C@H](C(=O)O)CC3)cc2oc1=O 101900567 SEGTZRRVJWOQKQ-GASCZTMLSA-N 401.459 3.050 0 40 HGAB COc1ccc(-c2cc(C(F)(F)F)nc(S[C@@H]3C[C@@H](O)[C@H]4OC[C@H]3O4)n2)cc1 102999460 VTGVURHSGJTLAM-KQTLUZQSSA-N 414.405 3.138 0 40 HGAB CC[C@H](C(=O)NCCN(C)c1ccccc1)N(c1ccc(C)c(C)c1)S(C)(=O)=O 219122973 IGRNCTIZNBBKIZ-OAQYLSRUSA-N 417.575 3.101 0 40 HGAB COc1cc2c(cc1OC)N(C)S(=O)(=O)C(C(=O)NC(C(C)C)C(C)C)=C2C 219188878 GTBKKLOTPONQFY-UHFFFAOYSA-N 410.536 3.011 0 40 HGAB Cc1ccccc1CNC(=O)[C@H](C)N(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 220192765 PXLBJHVQZSQNHG-AWEZNQCLSA-N 414.449 3.485 0 40 HGAB COc1ccc(NC(=O)[C@@H](C)N(c2ccc(F)c(F)c2)S(C)(=O)=O)cc1Cl 220448518 BHZPIBVWVZYOGZ-SNVBAGLBSA-N 418.849 3.420 0 40 HGAB CC[C@H](C(=O)N[C@@H](C)COc1ccc(C)cc1)N(c1ccccc1F)S(C)(=O)=O 220605745 CPOMSLYCNWANMW-QFBILLFUSA-N 422.522 3.262 0 40 HGAB O=C(NCCSCc1ccccc1)c1cccc(N2CCCCS2(=O)=O)c1 222551342 FZVJNCYRIKEPKX-UHFFFAOYSA-N 404.557 3.280 0 40 HGAB Cc1ccc([C@@H](C)NS(=O)(=O)c2nnc(NC(=O)c3ccccc3)s2)cc1 222726173 FXDVIKAIYHCZSH-CYBMUJFWSA-N 402.501 3.138 0 40 HGAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-c1cccnc1 223258349 ULYZDXXEGJGLPX-VXKWHMMOSA-N 420.586 3.418 0 40 HGAB Cc1cccc(N(CC(=O)NCCOc2ccccc2C(C)(C)C)S(C)(=O)=O)c1 223677684 GIKYREHUKVFRHO-UHFFFAOYSA-N 418.559 3.254 0 40 HGAB CC(C)Oc1cccc(CCCNS(=O)(=O)c2ccc3c(c2)sc(=O)n3C)c1 225680572 ASOASOWQKRYMOC-UHFFFAOYSA-N 420.556 3.298 0 40 HGAB CCc1ncnc(O[C@H]2CCN(C(=O)CSc3nc4ccccc4o3)C2)c1F 244909706 ASETWXVZNHKDLN-LBPRGKRZSA-N 402.451 3.091 0 40 HGAB COCc1cccc(C(=O)N2CC[C@H](Oc3ccc(Cl)cc3)[C@@H](CC(N)=O)C2)c1 257267840 MIYNEHCAUZTDCX-PXNSSMCTSA-N 416.905 3.272 0 40 HGAB CCCN1CCN(Cc2cc[nH]n2)C[C@@H](Cc2ccccc2-c2ccncc2)C1=O 257330089 XMTFWFXYSAKDML-OAQYLSRUSA-N 403.530 3.385 0 40 HGAB CC(=O)NC[C@H]1CC[C@@]2(COCCN(Cc3ccc(-c4ccc(Cl)cc4)o3)C2)O1 306124437 BPQJMYANBRTAHD-DENIHFKCSA-N 418.921 3.486 0 40 HGAB COc1ccc(C(C)C)cc1CN1CCO[C@]2(CCCC[C@@H]2NCC(=O)N(C)C)C1 306126999 FLGPNJHDHGKYNY-LADGPHEKSA-N 417.594 3.010 0 40 HGAB CC(C)CN1CCC2(CCCN(Cc3nccs3)[C@@H]2CNC(=O)C2CC2)CC1 306127632 GDXJSFRYOADKRI-LJQANCHMSA-N 404.624 3.372 0 40 HGAB CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)cc1 408598319 ZBSILESPHAMIBB-SNVBAGLBSA-N 403.287 3.308 0 40 HGAB Cc1cccc(NC(=O)COc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)c1 408600316 ADBQXPTZPYBJBG-UHFFFAOYSA-N 402.516 3.433 0 40 HGAB Cc1cccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C2)c1 408644096 CXWMSQGNCXPTSH-OAHLLOKOSA-N 400.862 3.492 0 40 HGAB COc1ccc(-n2cccc2/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)cc1 409102537 DFFLZIDCXJZVIB-GZTJUZNOSA-N 400.456 3.474 0 40 HGAB COc1cc2c(cc1C[C@@H]1SC(=O)N(CCOc3ccc(F)cc3)C1=O)OCO2 409145189 MZXXGUJYDNAPKW-SFHVURJKSA-N 419.430 3.249 0 40 HGAB CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1ccc(C(=O)O)cc1 409340521 YNDKNJLRXCGWHV-UHFFFAOYSA-N 412.471 3.306 0 40 HGAB Cc1ccc(S(=O)(=O)N2CC3(C[C@@H](OCc4cccc(C)n4)CS3)C2)cc1 575402398 CGWQXYBWRNZCJZ-GOSISDBHSA-N 404.557 3.164 0 40 HGAB COCCN1CCC[C@]12CCCN(C(=O)CCc1ccc(OC)cc1OC)CC2 585100621 QHDQMAKRKQTQSH-QHCPKHFHSA-N 404.551 3.130 0 40 HGAB C[C@H](NC(=O)c1csc(Nc2ccccn2)n1)c1ccc(N2CCNC2=O)cc1 1638742038 CPQAPIYDKRUNKB-ZDUSSCGKSA-N 408.487 3.302 0 40 HGAB CC1=C(C(=O)Nc2cccnc2)[C@H](c2cccnc2)n2nc(C(F)(F)F)nc2N1 1467474 IYSFPVQKQPFZJI-AWEZNQCLSA-N 401.352 3.015 0 40 HGAB COc1ccc(-c2csc(NC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)n2)cc1 1505576 VVCOPXSDDDQURC-UHFFFAOYSA-N 417.512 3.321 0 40 HGAB CCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)cc1 2262660 MDQFKYBTTJJRFP-UHFFFAOYSA-N 412.471 3.237 0 40 HGAB COc1cc(C=O)ccc1OCc1c(Br)c(=O)n(-c2ccccc2)n1C 2561723 WQZCDFNGJMYXPZ-UHFFFAOYSA-N 417.259 3.339 0 40 HGAB COc1cc(C(=O)OCC(=O)N2CCCC[C@H]2C)ccc1OCc1c(C)noc1C 3288487 VUAANLYMWFKCNL-CQSZACIVSA-N 416.474 3.437 0 40 HGAB Cc1cc(S(=O)(=O)Nc2ccc(N3CCOCC3)cc2)ccc1Br 3368412 PDYSEFFJGYJEDY-UHFFFAOYSA-N 411.321 3.395 0 40 HGAB CCCCn1nc(C(=O)N(C)Cc2cc(Br)ccc2OC)ccc1=O 3413601 GACNMMDOJXFNHW-UHFFFAOYSA-N 408.296 3.087 0 40 HGAB O=C(COc1ccc(F)cc1Br)Nc1ccccc1N1CCOCC1 3510452 LRRFOPNECJYNMY-UHFFFAOYSA-N 409.255 3.442 0 40 HGAB CC(=O)c1c(C)[nH]c(C(=O)COC(=O)[C@]23CCC(=O)N2c2ccccc2S3)c1C 3567899 GXRMOTJTSZQNGV-OAQYLSRUSA-N 412.467 3.189 0 40 HGAB CCOc1ccccc1[C@@H]1CC(c2ccc(NS(C)(=O)=O)cc2)=NN1C(C)=O 4036251 UAVGJKOKNFCDEE-IBGZPJMESA-N 401.488 3.154 0 40 HGAB CCCN1C(=O)[C@@](O)(CC(=O)c2c(C)n[nH]c2C)c2cc(Br)ccc21 4554727 SXUDRVZJJYOVDN-GOSISDBHSA-N 406.280 3.006 0 40 HGAB CN(C)CCN(C(=O)CCOc1ccccc1)c1nc2cc3c(cc2s1)OCO3 5121450 OAESSTRNWCVWBZ-UHFFFAOYSA-N 413.499 3.389 0 40 HGAB O=C1CCc2cc(S(=O)(=O)N3CCC(Cc4ccccc4)CC3)cc3c2N1CC3 5153509 QDIIEMWRGIZNDC-UHFFFAOYSA-N 410.539 3.165 0 40 HGAB CCCCN1C(=O)c2ccc(C(=O)OCC(=O)Nc3ccc(F)cc3F)cc2C1=O 5310238 RVJGRGRQPTUGSD-UHFFFAOYSA-N 416.380 3.156 0 40 HGAB CCOC(=O)[C@](NC(=O)c1ccc(F)cc1)(Nc1ccccc1OC)C(F)(F)F 5326162 VISHVSHPADFQDY-GOSISDBHSA-N 414.355 3.498 0 40 HGAB Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)s1 5392565 UQCKHXUQRRVAKL-UHFFFAOYSA-N 400.525 3.356 0 40 HGAB CCC(C)(C)n1nnnc1[C@H](c1cc2ccc(OC)cc2[nH]c1=O)N1CCC[C@@H](C)C1 5444262 NRXFMFVUBVTOIA-QRWLVFNGSA-N 424.549 3.490 0 40 HGAB Cc1ccc(NCCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2O)cc1 5689385 QXQGLPWFDALXKZ-UHFFFAOYSA-N 417.531 3.316 0 40 HGAB CC1=C(C(N)=O)[C@@H](c2ccccc2)N=C(SCC(=O)Nc2ccc(C)cc2C)N1 6203559 WOEFVHDLFOEFKN-HXUWFJFHSA-N 408.527 3.435 0 40 HGAB COC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(OC)c(OC(C)C)cc1Br 6263503 IIPNMJDNBGQUMH-HNNXBMFYSA-N 413.268 3.046 0 40 HGAB COc1ccc(N2C(SCCCc3ccccc3)=N[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 6719284 PNMWPBHMBSPDJX-UXHICEINSA-N 416.568 3.403 0 40 HGAB O=C(CSc1nnc(Cc2cccs2)n1-c1ccccc1)NC[C@H]1CCCO1 8165071 PHDSUOHDWMOQAQ-MRXNPFEDSA-N 414.556 3.307 0 40 HGAB O=C(Cc1cn2ccsc2n1)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1 8231012 HLPLPGHYEMXKKH-UHFFFAOYSA-N 418.544 3.142 0 40 HGAB CC[C@H](C)NC(=O)c1cccc(NC(=O)C[C@H]2SC(N3CCCCC3)=NC2=O)c1 8402072 UDMFEWPQUVNBBE-WMLDXEAASA-N 416.547 3.027 0 40 HGAB O=C(COc1ccccc1)Nc1ccc(OCc2cc(=O)n3ccsc3n2)cc1 8603649 HYSXWBSUNKBAJK-UHFFFAOYSA-N 407.451 3.353 0 40 HGAB CCCCNC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(OC)cc2)C1 8816102 KVIYBWLOZNXTBP-MRXNPFEDSA-N 409.486 3.217 0 40 HGAB O=C(Nn1cnc2c(cnn2-c2ccc(F)cc2)c1=O)c1ccccc1C(F)(F)F 9562994 KNSMXVLNSMWBSR-UHFFFAOYSA-N 417.322 3.124 0 40 HGAB COc1ccc(-c2ccc(=O)n(CCNC(=O)c3cccc(C(F)(F)F)c3)n2)cc1 9660848 WFNRIEIBNZDGFI-UHFFFAOYSA-N 417.387 3.368 0 40 HGAB CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)Nc1ccccc1N1CCOCC1 9909521 APRAKZWMKHWGCL-FQEVSTJZSA-N 417.456 3.195 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccccc3)C2)cc1Cl 9974638 DEHKACVHNTXAPE-MRXNPFEDSA-N 422.934 3.066 0 40 HGAB Cc1cc(C)c(NC(=O)Cn2nnc(-c3nc(-c4ccc(F)cc4)no3)c2N)c(C)c1 10273129 QLHITBPPCJIDAY-UHFFFAOYSA-N 421.436 3.280 0 40 HGAB O=C(COc1ccc(Br)cc1)NCc1cccc(NC(=O)C2CC2)c1 10764480 ADHREUWMFHDJCC-UHFFFAOYSA-N 403.276 3.493 0 40 HGAB Cn1c(SCC(=O)N2CCCCCCC2)nnc1[C@H]1COc2ccccc2O1 11501215 FSHYITKDIQSAQB-QGZVFWFLSA-N 402.520 3.212 0 40 HGAB COC(=O)c1ccccc1NC(=O)C[C@H]1CCCCN1S(=O)(=O)c1ccccc1 11612549 UUWRUIDEFCGXHV-MRXNPFEDSA-N 416.499 3.045 0 40 HGAB COc1ccc2c(CN3CCC[C@H](c4cc(N)n5nc(C)cc5n4)C3)cn(C)c2c1 12143956 OPWNIRFYADLLMD-INIZCTEOSA-N 404.518 3.500 0 40 HGAB COc1ccc(-c2nnc(SCC(=O)Nc3ccc(Cl)cc3)n2N)cc1OC 12348811 LPRZKEIKCSWNQI-UHFFFAOYSA-N 419.894 3.060 0 40 HGAB COc1ccc([C@@H](NC(=O)Cc2ccc(N3CCCC3=O)cc2)c2nccn2C)cc1 12601347 UXTMALSCSMBMHK-HSZRJFAPSA-N 418.497 3.004 0 40 HGAB O=C(Nc1ccc2c(c1)OCCO2)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1 13002508 RUYUNWUJQRZHGK-GFCCVEGCSA-N 417.259 3.212 0 40 HGAB CC[C@H](C(=O)Nc1ccccc1C(=O)OC)N(c1ccc(C)c(C)c1)S(C)(=O)=O 13716168 PRVQNEFOTGGKGC-LJQANCHMSA-N 418.515 3.273 0 40 HGAB COc1c(C)cccc1C(=O)NC(=S)Nc1sc2c(c1C(N)=O)CCCC2 13847616 PMWSKPXEFZTGAU-UHFFFAOYSA-N 403.529 3.170 0 40 HGAB Cc1cc(C(=O)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c(C)n1Cc1ccc2c(c1)OCO2 16043969 SNFVYUDGJHCYHC-ROUUACIJSA-N 420.465 3.016 0 40 HGAB C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1ncc(Cc3ccccc3)s1)C2=O 19496145 MEYZOKHMNMLDPA-LHSJRXKWSA-N 412.515 3.173 0 40 HGAB CCCN1CCN(C(=O)c2nc[nH]n2)C[C@@H](Cc2cccc(-c3ccccc3)c2)C1=O 19503019 YUYYDECRHWOVIB-OAQYLSRUSA-N 417.513 3.025 0 40 HGAB COc1ccc2c(c1)OC1(CCN(C(=O)c3cc(-c4cccnc4)[nH]n3)CC1)CC2=O 19562975 IMQZSZKADRDFJO-UHFFFAOYSA-N 418.453 3.121 0 40 HGAB COCCOc1cccc(CN2CCC[C@@H]([C@@H]3C[C@H](C(F)F)n4ncnc4N3)C2)c1 19593788 GZBCQQYHBBNARY-NZSAHSFTSA-N 421.492 3.206 0 40 HGAB CCn1nc([C@H](C)C(=O)Nc2nc(-c3cnn(C)c3C)cs2)c2ccccc2c1=O 19660584 UULLANKCSIIGLI-LBPRGKRZSA-N 422.514 3.324 0 40 HGAB CCOc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(C)c(C)c3)CC2=O)cc1 21094119 WBVSIJVTYIWMEY-KRWDZBQOSA-N 410.470 3.237 0 40 HGAB CN1CCN(c2ccc(CNC(=O)c3cc4c(s3)-c3ccccc3OC4)cn2)CC1 23317889 ONLIPTDVLOGGGF-UHFFFAOYSA-N 420.538 3.384 0 40 HGAB O=S(=O)(c1ccccc1OC(F)(F)F)N1CCN(Cc2ccccc2)CC1 24256843 HJKOFLBWKYDSRE-UHFFFAOYSA-N 400.422 3.092 0 40 HGAB CCc1c(C(=O)NC[C@@H]2CN(CC(C)C)CCO2)cnn1-c1cccc(Cl)c1 24571143 HIDCWGAMYLGFRM-GOSISDBHSA-N 404.942 3.175 0 40 HGAB CC[C@H](C)c1ccc(S(=O)(=O)N2CCN(C[C@@H](O)c3ccccc3)CC2)cc1 25685725 FSXOGUQMHBZTQL-PGRDOPGGSA-N 402.560 3.240 0 40 HGAB COc1cc(=O)oc(/C=C/C=C/C=C/C(C)=C\[C@]2(C)O[C@H](C)[C@](C)(O)[C@H]2O)c1C 28631598 JLSVDPQAIKFBTO-JMZHKIFESA-N 402.487 3.318 0 40 HGAB Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cc(Cl)c(N)c(Cl)c2)cc1C 30871893 HRDCZOQTOMQZMS-UHFFFAOYSA-N 416.330 3.452 0 40 HGAB CCN1CCN(CC(=O)Nc2cc(-c3ccc(C)cc3)nn2-c2ccccc2)CC1 32738463 JRVFQZUCKWNWJM-UHFFFAOYSA-N 403.530 3.424 0 40 HGAB COc1ccc([C@@H](c2nnnn2C(C)C)N2CCN(c3ccccc3)CC2)cc1OC 35290584 KGFJVONTQFCUCL-QFIPXVFZSA-N 422.533 3.183 0 40 HGAB O=C(Nc1ccc2c(c1)OCCO2)c1cc(-n2cnnc2)ccc1Br 35684187 MGHCJXFNLKZFFX-UHFFFAOYSA-N 401.220 3.053 0 40 HGAB CC[C@H](C)[C@@H](NC(=O)N1CCc2[nH]cnc2[C@@H]1c1cccc(Cl)c1)C(=O)OC 36585745 PJKHFXQCEFVQRK-XZOAIXRZSA-N 404.898 3.308 0 40 HGAB Cc1ccccc1NC(=O)CN1C(=O)N[C@@](C)(c2ccccc2C(F)(F)F)C1=O 40116685 HUXSLRXJWNVVAV-IBGZPJMESA-N 405.376 3.420 0 40 HGAB CC(=O)c1cccc(NC(=O)[C@@]23CCC(=O)N2c2ccccc2C(=O)N3C(C)C)c1 40309110 CARZWSKECHDFLE-HSZRJFAPSA-N 405.454 3.215 0 40 HGAB biogenic Cc1ccc(Cn2c(=O)c3ccccc3n(CC(=O)Nc3ccccc3F)c2=O)cc1 40478464 FSEAKFJAIJOQHG-UHFFFAOYSA-N 417.440 3.298 0 40 HGAB CCCCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(OC)c(Cl)c2)c1=O 40478507 QBCBGZUYCBFRRP-UHFFFAOYSA-N 415.877 3.264 0 40 HGAB CS(=O)(=O)Nc1cccc(CNC(=O)Nc2ccccc2OC(F)(F)F)c1 43878665 BVOUGPLAAHKPCN-UHFFFAOYSA-N 403.382 3.278 0 40 HGAB CC(=O)c1cccc(S(=O)(=O)NCC2CCN(Cc3cc(C)oc3C)CC2)c1 43954208 JFYDTQIOGXVKCE-UHFFFAOYSA-N 404.532 3.290 0 40 HGAB CN(Cc1ccccc1N1CCOCC1)C(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 48345050 KUQJAYSBURNJJH-LJQANCHMSA-N 417.550 3.129 0 40 HGAB O=C1CN(CCC2=CCCCC2)[C@H]2CS(=O)(=O)C[C@H]2N1c1cccc(Cl)c1 55408473 XLHJQCZCIDORPS-RBUKOAKNSA-N 408.951 3.045 0 40 HGAB C[C@@H](NC(=O)c1ccccc1Cl)C(=O)NC[C@@H]1CCN(c2ccc(F)cc2)C1 57064855 GBZUHCBBOFYDEP-CABCVRRESA-N 403.885 3.240 0 40 HGAB CCCNC(=O)CSc1nc2ccsc2c(=O)n1Cc1cccc(OC)c1 57426184 GXDIEWGYDXPTSY-UHFFFAOYSA-N 403.529 3.133 0 40 HGAB COC(=O)c1ccccc1NC(=O)Cn1c(Nc2ccc(F)c(C)c2)nc(C)cc1=O 57507644 VGPCFSYUKDJCPX-UHFFFAOYSA-N 424.432 3.168 0 40 HGAB COC(=O)c1ccccc1NC(=O)Cn1c(-c2cccc(Cl)c2)nc(C)cc1=O 57526753 YJCDOJUEHHZPSP-UHFFFAOYSA-N 411.845 3.297 0 40 HGAB COC(C)(C)C(=O)N1CC[C@@H](c2c(C(=O)N3CCOCC3)sc3ccccc23)C1 72352353 HVKQROQKQPQVQF-OAHLLOKOSA-N 416.543 3.115 0 40 HGAB O=C(COc1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCC[C@@H]2CCCC[C@@H]21 78714045 HHQNYRHEEQODLX-RXVVDRJESA-N 420.575 3.421 0 40 HGAB O=C(c1ccc(Cl)c(-n2cnnn2)c1)N1CCC(O)(c2ccc(Cl)cc2)CC1 79485160 NNYPHANVPPJHKN-UHFFFAOYSA-N 418.284 3.093 0 40 HGAB CCS(=O)(=O)NCCCSc1nc2ccccc2c(=O)n1-c1ccc(C)cc1 89274482 LSUZCTLQWIQPCL-UHFFFAOYSA-N 417.556 3.116 0 40 HGAB CN1C(=O)C[C@@H](NC(=O)COc2ccc(Br)cc2)[C@H]1c1ccc(F)cc1 89374730 DBGSDQKUGTYSOQ-VQIMIIECSA-N 421.266 3.055 0 40 HGAB O=C(CNS(=O)(=O)c1cccs1)Nc1c(O)c(Cl)cc(Cl)c1Cl 95458540 INOZKZQWGLABKR-UHFFFAOYSA-N 415.707 3.331 0 40 HGAB COCCn1c(C(=O)Nc2nc(Cc3ccc(OC)cc3)n[nH]2)cc2ccccc21 95472524 UQPCOQSNXDUABG-UHFFFAOYSA-N 405.458 3.258 0 40 HGAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N1CCNC(=O)[C@@H]1c1ccccc1Cl 96010164 NDMWEWMCQDRXKM-UNMCSNQZSA-N 423.900 3.304 0 40 HGAB O=S(=O)(C[C@@H]1CCCN1S(=O)(=O)c1ccc(F)c(Cl)c1)c1ccccc1 96025554 XQRHNAMXLZYDJE-ZDUSSCGKSA-N 417.911 3.106 0 40 HGAB COc1ccc(NC(=O)[C@H]2Oc3c(c(=O)oc4ccccc34)[C@@H]2c2cnn(C)c2)cc1 96115384 AYFMTDZYYFTSKZ-RXVVDRJESA-N 417.421 3.067 0 40 HGAB biogenic Cn1c(CN2CCc3ccccc3C2)cc(=O)c(O)c1CN1CCc2ccccc2C1 96115718 HKTPOPYVWWYZGN-UHFFFAOYSA-N 415.537 3.208 0 40 HGAB biogenic O=C(NCCN1CCCC1)c1nc(-c2cn(-c3ccccc3)cn2)n2ccccc12 96155055 IYLDBZFMSYDYRI-UHFFFAOYSA-N 400.486 3.013 0 40 HGAB COCCN(Cc1cccnc1)S(=O)(=O)c1ccc(Br)cc1Cl 97543798 UJYWRTKDTIBEOG-UHFFFAOYSA-N 419.728 3.335 0 40 HGAB O=c1c2ccccc2nnn1C[C@H]1CC[C@H](C(=O)Nc2ccc3c(c2)OCCO3)CC1 102433552 KTVJLGNCPVDJJW-IYBDPMFKSA-N 420.469 3.008 0 40 HGAB COc1ccc(NC(=O)[C@@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)cc1OC 113940369 SBPGNINWWQOVMF-GFCCVEGCSA-N 412.895 3.150 0 40 HGAB CC[C@H](NC(=O)[C@H](C)N(c1ccccc1F)S(C)(=O)=O)c1ccc(OC)cc1 113957552 BHODDQWWPLRKNK-KSSFIOAISA-N 408.495 3.256 0 40 HGAB COc1ccccc1C1(CNS(=O)(=O)c2cccc3cccnc23)CCOCC1 211070708 ARKGCGSAMSMFNW-UHFFFAOYSA-N 412.511 3.270 0 40 HGAB CCc1ccc(N([C@@H](C)C(=O)NCCCc2ccc(F)cc2)S(C)(=O)=O)cc1 220282876 YQAXHDYSKQVPDL-INIZCTEOSA-N 406.523 3.292 0 40 HGAB COc1ccccc1-n1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1CCN(C)C 223259552 OWLCDXYZENVUOK-FCHUYYIVSA-N 421.570 3.415 0 40 HGAB Cc1ccc(Cl)cc1N(CC(=O)NCCc1ccc(Cl)cc1)S(C)(=O)=O 223678023 NUQQTJKGFBFXJS-UHFFFAOYSA-N 415.342 3.427 0 40 HGAB Cc1ccc(Cl)cc1N(CC(=O)NCCOc1cccc(C)c1C)S(C)(=O)=O 223911612 PHDLOJLVDBATOG-UHFFFAOYSA-N 424.950 3.226 0 40 HGAB COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NCc2cccnc2)cc1OC 224878760 HEVVNAGFIOMBOV-PDGQHHTCSA-N 423.494 3.248 0 40 HGAB O=C(O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1cc(Cl)ccc1Cl 224938487 XURJBZQWMDWHBT-UHFFFAOYSA-N 418.254 3.045 0 40 HGAB CC[C@H](C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)COc1ccc(OC)cc1 225420777 IMEAAMQNGYCWSO-RBUKOAKNSA-N 412.530 3.449 0 40 HGAB COc1ccc([C@@H](CC(=O)NCc2cccc3ccccc23)NS(C)(=O)=O)cc1 225953173 AJAVQLDNQVKAMA-OAQYLSRUSA-N 412.511 3.145 0 40 HGAB CC1(C)Oc2c(O)cccc2[C@@H]2O[C@@H]3CCN(C(=O)CCCC(=O)O)C[C@H]3C[C@H]21 257201843 AJGDFYABOCJCEE-PCFVDWANSA-N 403.475 3.113 0 40 HGAB Cc1ccc(Cl)cc1N([C@H](C)C(=O)NCCc1ccc(F)cc1)S(C)(=O)=O 260846265 JTHFJCLYRXAVFW-CQSZACIVSA-N 412.914 3.301 0 40 HGAB O=C(CCc1ccc2c(c1)OCO2)N1N=C(c2ccccc2)C[C@]1(O)C(F)(F)F 408563595 PGDZQWICVLQCHN-IBGZPJMESA-N 406.360 3.235 0 40 HGAB COc1cccc(CN2CC(=O)NCCCCCOc3cc(C(=O)O)ccc3C2)c1 643574819 SMKFODYEYGLSDH-UHFFFAOYSA-N 412.486 3.075 0 40 HGAB Brc1ccc(-c2nc(=Nc3cnn(C[C@@H]4CCCO4)c3)cc[nH]2)cc1 1184915645 ATEVVEKZSUAKEX-INIZCTEOSA-N 400.280 3.447 0 40 HGAB CC[C@@H](NC(=O)NCc1cc2c(nc1O)CCCC2)[C@H](O)c1c(F)cccc1F 1683562610 GBJWBLFHLZZURX-APWZRJJASA-N 405.445 3.256 0 40 HGAB CC(=O)NC[C@]1(c2ccccc2)CC[C@H](O)[C@@H](N(C)C(=O)NC2CCCCC2)CC1 2037853950 KKRGCBLPTRYXNM-WPFOTENUSA-N 415.578 3.338 0 40 HGAB CCOc1ccc2[nH]c(=O)c(CN(C[C@@H]3CCCO3)C(=S)NCC(C)C)cc2c1 879460 ZFYNZCOVCGGJEV-IBGZPJMESA-N 417.575 3.438 0 40 HGAB CCOC(=O)c1ccc(-n2cc3c(c2-c2ccc(C)cc2)c(=O)n(C)c(=O)n3C)cc1 2386389 SWOUURUIQHFBHU-UHFFFAOYSA-N 417.465 3.180 0 40 HGAB CC[C@H]1S[C@H](CC)C(=O)N(CC(=O)Nc2ccc(OC(F)(F)F)cc2)C1=O 2711032 HYARPNQIFSDTCC-CHWSQXEVSA-N 404.410 3.183 0 40 HGAB CCOC(=O)[C@@]1(C(F)(F)F)N=C(c2ccc(OC)cc2)OC(N2CCCCC2)=N1 3103633 RZBUYYYWFXGKFP-GOSISDBHSA-N 413.396 3.136 0 40 HGAB CCOC(=O)c1c(N)n(CCOC(=O)c2cccs2)c2nc3ccccc3nc12 4302008 KGRLDYGGTKVEPY-UHFFFAOYSA-N 410.455 3.262 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3SC)CC2)cc1 4498605 VHPMHDQPEIYADZ-UHFFFAOYSA-N 420.556 3.457 0 40 HGAB CC(C)CCNC(=O)CN(Cc1cccs1)C(=O)CCC(=O)Nc1nccs1 4848402 HIWFSWOPAHRKOP-UHFFFAOYSA-N 422.576 3.114 0 40 HGAB C[C@@H]1CCCN(C(=O)CSc2nc3ccccc3n2CC(=O)N2CCCC2)C1 4859133 DPZHHSPSISPXBU-MRXNPFEDSA-N 400.548 3.009 0 40 HGAB CS(=O)(=O)N(CC(=O)NCCSCc1ccccc1)c1cccc(Cl)c1 5746706 XBDQSASQUUJMJS-UHFFFAOYSA-N 412.964 3.156 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)Sc3ccccc3)CC2)cc1 5823872 UJFHDWSWUMBDSM-QGZVFWFLSA-N 404.557 3.009 0 40 HGAB O=S(=O)(c1ccc(NC2CCN(Cc3ccccc3)CC2)nc1)N1CCCCC1 5938313 SCCJDKSWYPWZJQ-UHFFFAOYSA-N 414.575 3.333 0 40 HGAB Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)N(C)c3cccc(C)c3)s2)c1 6818335 UKRRVFYHWMKBFK-UHFFFAOYSA-N 402.501 3.232 0 40 HGAB O=C(CN(Cc1cccs1)C[C@@H]1CCCO1)Nc1ccc(N2CCCC2=O)cc1 7806635 IPNVWIKUQKSQNZ-IBGZPJMESA-N 413.543 3.495 0 40 HGAB Cc1nc2ncnn2c(C)c1CCC(=O)N[C@H](C)c1ccccc1Br 8305836 RUUCHBRWADVFDW-GFCCVEGCSA-N 402.296 3.314 0 40 HGAB CCCCOC(=O)c1ccc(NC(=O)CSc2nc3c(c(=O)[nH]2)CCCC3)cc1 8587333 RNABUKSLCZRHOZ-UHFFFAOYSA-N 415.515 3.336 0 40 HGAB Cc1ccc(-n2nnnc2CNC(=O)COc2ccc(Cl)cc2Cl)cc1C 9570321 QHMAHKKOYJWYOS-UHFFFAOYSA-N 406.273 3.281 0 40 HGAB COc1ccc(-c2cc3nc(CSc4nc5ncccn5n4)[nH]c(=O)c3s2)cc1 10078746 DAHJVPJESQVKAX-UHFFFAOYSA-N 422.495 3.390 0 40 HGAB CCc1ccc([C@H]2c3c(-c4ccc(OC)cc4)nnc(O)c3Nc3nnnn32)cc1 10295455 LTUOONNTGJSVDL-IBGZPJMESA-N 401.430 3.101 0 40 HGAB COC(=O)c1cccc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)c1 10440772 QXAXWOPVBSCTCF-UHFFFAOYSA-N 416.499 3.209 0 40 HGAB O=C(NCCC(=O)OCc1nnc(-c2ccccc2)o1)NC12CC3CC(CC(C3)C1)C2 11439799 LCJQRYKILDEYHI-UHFFFAOYSA-N 424.501 3.438 0 40 HGAB CC(=O)N[C@H](CC(=O)Nc1ccc(C(=O)c2nccn2C)cc1)c1ccc(C)cc1 12627450 ABXGNDKFQMDHNL-HXUWFJFHSA-N 404.470 3.166 0 40 HGAB CNC(=O)c1ccc(S(=O)(=O)N[C@H](c2ccc(F)cc2)c2cccs2)cc1 12918647 YTMNLRTXKITLBK-GOSISDBHSA-N 404.488 3.315 0 40 HGAB CCN(Cc1cccc(F)c1)C(=O)c1ccc(OC)c(S(=O)(=O)N2CCCC2)c1 12976923 ZIYOTIYSMBXUSN-UHFFFAOYSA-N 420.506 3.281 0 40 HGAB CCOC(=O)[C@@H]1CCCN(C(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)C1 13011291 JNDXSLDFUYNMIS-GOSISDBHSA-N 404.470 3.350 0 40 HGAB CCCCn1c(N)c(N(C(=O)c2cc3c(s2)CCC3)C2CCCC2)c(=O)[nH]c1=O 14158147 BRAUGJYZPXIAFT-UHFFFAOYSA-N 416.547 3.059 0 40 HGAB Cc1nn(CC(C)C)c2sc(C(=O)N[C@@H](C)c3ccc(S(N)(=O)=O)cc3)cc12 14234717 WOJZWFXIWOEPDD-LBPRGKRZSA-N 420.560 3.201 0 40 HGAB CCC(=O)Nc1cccc(C(=O)OCc2cc(=O)n3nc(CC(C)C)sc3n2)c1 15771802 VMHNSQAZAGOODM-UHFFFAOYSA-N 414.487 3.055 0 40 HGAB CCOc1ccccc1NC(=O)CCc1c(C)nn(-c2nc(C)c(C)c(=O)[nH]2)c1C 16981133 BTIIFLQPRAXJAL-UHFFFAOYSA-N 409.490 3.159 0 40 HGAB CC1CCC(N2CCc3nc([C@H]4CCCN(C(=O)[C@@H]5C[C@@H]5C)C4)nc(O)c3C2)CC1 19495960 LRJJRJGCDCTXNE-XMMCJJCJSA-N 412.578 3.481 0 40 HGAB CCN(CC)[C@H]1C[C@@H](c2ccccc2NC(=O)Cc2nonc2N)O[C@@H](C(C)C)C1 19712246 BNOYQSLQHJAPAX-YSGRDPCXSA-N 415.538 3.420 0 40 HGAB CCOc1cccc2sc(NC(=O)C[C@@H]3NC(=O)N(c4ccccc4)C3=O)nc12 19717252 HLUSAKGLWLXWCV-ZDUSSCGKSA-N 410.455 3.149 0 40 HGAB Cc1cc(NC(=O)Cn2cccc(C(=O)N[C@H](C)c3ccc(C(C)C)cc3)c2=O)no1 19750183 MZDJGATUEFVOBQ-MRXNPFEDSA-N 422.485 3.398 0 40 HGAB COC(=O)CSc1nc(N)c2c3c(sc2n1)CN(Cc1ccccc1)CC3 19799412 UAEMZTAFKNLSCG-UHFFFAOYSA-N 400.529 3.097 0 40 HGAB CCOc1ccccc1CNC(=O)[C@H](C)N(c1ccc(C)c(C)c1)S(C)(=O)=O 20108316 RNLIDEJBKYSSRX-KRWDZBQOSA-N 404.532 3.173 0 40 HGAB O=C(CN1CCN(C/C=C/c2ccccc2)CC1)c1ccc(N2CCCC2=O)cc1 22805471 LPNMEFGZTYQOJM-XBXARRHUSA-N 403.526 3.327 0 40 HGAB CC(C)(C)c1ccc(S(=O)(=O)N[C@H](CN2CCOCC2)c2ccccc2)cc1 24294482 CIPAEYUTOAPEBL-OAQYLSRUSA-N 402.560 3.336 0 40 HGAB C[C@@H]1CCN(C(=O)CN2C(=O)N[C@@H](CCc3ccccc3)C2=O)c2ccccc2S1 24993584 RNJIOAJMQNGIBT-AEFFLSMTSA-N 423.538 3.457 0 40 HGAB Cn1ccnc1[C@H](NC(=O)NC[C@H]1COc2ccccc2O1)c1ccc(Cl)cc1 29322321 YBAWSNKVBCVNGT-QFBILLFUSA-N 412.877 3.302 0 40 HGAB Cc1ccc2nc(NC(=O)CCNS(=O)(=O)c3ccc(F)c(F)c3)sc2c1 32855813 WTZIPOANENEIQL-UHFFFAOYSA-N 411.455 3.190 0 40 HGAB CCC[C@H](C)NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1cc(C)ccc1OC 33697105 NSAKSPANYIVMHR-SFHVURJKSA-N 418.559 3.499 0 40 HGAB COc1ccc(S(=O)(=O)N2C[C@@H]3[C@@H](CCC[C@]3(O)c3cccc(OC)c3)C2)cc1 36740014 QPMMISZFLHJFTA-USCONSEESA-N 417.527 3.012 0 40 HGAB CCc1c(C)nc2n(c1=O)CN(CCCN(C)C)CN2c1cccc(C(F)(F)F)c1 38830034 ULJJKBZVQASJBC-UHFFFAOYSA-N 423.483 3.453 0 40 HGAB COc1ccc2c(c1OC)[C@@H](CC(C)=O)N1CCc3cc4c(cc3[C@@H]1C2=O)OCO4 39546136 WCUHXCUQWAQCHR-IIBYNOLFSA-N 409.438 3.248 0 40 HGAB Cc1cc(N2CCN(C)CC2)ccc1NC(=O)N1CCN(Cc2cccs2)CC1 40103809 LZRXOAQIXNQQSO-UHFFFAOYSA-N 413.591 3.158 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccc(OC(C)C)cc1 42645575 CHNCLZSDFQUFCA-UHFFFAOYSA-N 418.515 3.055 0 40 HGAB Cc1ccccc1N1CCN(CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)CC1 57270850 NIYFMUMVEXMKPG-JOCHJYFZSA-N 421.541 3.252 0 40 HGAB Cc1cc(C)n(Cc2cccc(C(=O)NCc3ccccc3CN3CCOCC3)c2)n1 58064190 RPDQVDJHOHZEAC-UHFFFAOYSA-N 418.541 3.310 0 40 HGAB Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)O)c(C)c2)c(Br)c1 58377315 YJNMGMHGVZASMW-UHFFFAOYSA-N 414.277 3.330 0 40 HGAB CCN(CC)CCOc1cc(NC(=O)NCc2ccnc(OC)c2)ccc1OC 58418582 NRUQQFUPGOONBH-UHFFFAOYSA-N 402.495 3.141 0 40 HGAB CC(C)COc1ccc(CNC(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)cc1 71850250 RESPNZFLDVCIMV-GOSISDBHSA-N 422.572 3.252 0 40 HGAB Cc1cccc(CNS(=O)(=O)c2ccc3c(c2)[C@@H](NC(=O)C2CCCC2)CC3)n1 72345824 XHJVQNZVUJNRRQ-NRFANRHFSA-N 413.543 3.162 0 40 HGAB CCn1ncc2c(C(=O)N[C@@H]3CCCCC[C@@H]3C(N)=O)cc(-c3cccs3)nc21 79099449 BUSGVHSRYLQCIO-XJKSGUPXSA-N 411.531 3.344 0 40 HGAB C[C@@H](NC(=O)c1cc(=O)[nH]c2c(Br)cccc12)[C@H](O)Cc1ccccc1 89598414 KQHPRAQUXZBYSK-SJKOYZFVSA-N 415.287 3.013 0 40 HGAB COc1ccc(CC(=O)N[C@@H]2CCCCC[C@H]2NC(=O)Cc2ccc(OC)cc2)cc1 95456646 KCEDDIZDOSXNSH-DHIUTWEWSA-N 424.541 3.423 0 40 HGAB Cc1cc(OC(F)F)c(C(=O)N2CCC(C)(CN3CCN(C)CC3)CC2)s1 96013935 NBXCOOBCEIJYDV-UHFFFAOYSA-N 401.523 3.148 0 40 HGAB CC(C)CS(=O)(=O)N1CCC2(CC1)C[C@H](CC(=O)NC1CC1)c1ccccc1O2 96080002 BRXKUHSKAVBKQK-KRWDZBQOSA-N 420.575 3.042 0 40 HGAB O=C(c1cc(-c2cnc(-c3cccnc3)nc2)cn1CC1CC1)N1CCC[C@H](O)C1 96088125 IUWOLHFOZPJZPT-FQEVSTJZSA-N 403.486 3.014 0 40 HGAB COc1ccc2[nH]c(=O)c([C@@H]3CC(=O)Oc4ccc5c(C)cc(=O)oc5c43)cc2c1 96220864 KLMBBDHNRHUFIE-HNNXBMFYSA-N 403.390 3.393 0 40 HGAB biogenic COC(=O)C[C@@H](c1coc2ccc(OC)cc2c1=O)c1c(O)ccc2nsnc12 96223805 XWVDRPFEOZXPGV-NSHDSACASA-N 412.423 3.207 0 40 HGAB COc1ccc(NC(=O)C2=NO[C@@]3(CCCN(C(=O)c4ccccc4F)C3)C2)cc1 96225155 GECLSKFQLONHEA-QFIPXVFZSA-N 411.433 3.224 0 40 HGAB COc1ccccc1[C@@H](NC(=O)c1ccc(-c2nnc(C)n2C)cc1)c1nccn1C 97229124 PVQQDBRTEWUKTH-HXUWFJFHSA-N 416.485 3.052 0 40 HGAB COc1cccc2c1O[C@@]1(C)C[C@H]2[C@H](S(=O)(=O)c2ccc(Cl)cc2)C(=O)N1C 101626844 IFKOZKDTOHNSAT-BPAFIMBUSA-N 421.902 3.245 0 40 HGAB CC/N=c1\nc(NCC)nc2n1[C@](O)(Nc1ccc(Oc3ccccc3)cc1)CS2 102916295 WKWZRTQYNRZZKE-OAQYLSRUSA-N 424.530 3.243 0 40 HGAB CC[C@H](C(=O)NCCCc1ccc(C)cc1)N(c1ccc(F)cc1)S(C)(=O)=O 219112704 RRWKJSWOPATYED-HXUWFJFHSA-N 406.523 3.428 0 40 HGAB COC(=O)c1cc(NC(=O)[C@@H](C)N(c2cccc(C)c2)S(C)(=O)=O)ccc1Cl 220135082 BYXGILDHGMXIHB-CYBMUJFWSA-N 424.906 3.228 0 40 HGAB COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1Cc1ccco1 223683926 CDHISNCSQCJTMV-PMACEKPBSA-N 410.499 3.060 0 40 HGAB CCCn1c(=O)sc2cc(S(=O)(=O)N(C)Cc3ccc(OC)cc3)ccc21 225731316 WSRBOTAVQLKCAV-UHFFFAOYSA-N 406.529 3.302 0 40 HGAB FC(F)(F)c1cc(N2CCN(c3ccccc3)CC2)nc(NC(=S)NC2CC2)n1 226004562 DALOCWCUYPEMLT-UHFFFAOYSA-N 422.480 3.271 0 40 HGAB COc1ccccc1CN(C)[C@H]1[C@H](N)C[C@@H](Oc2cccc(C(F)(F)F)c2)[C@@H]1O 257218074 DBTVZFVZEBHEEG-LMCOJAPRSA-N 410.436 3.054 0 40 HGAB COc1ccc(OC)c([C@@H](C)NC(=O)[C@H](C)N(c2cccc(C)c2)S(C)(=O)=O)c1 260770954 VGUMQMAKYVGTNA-CVEARBPZSA-N 420.531 3.044 0 40 HGAB Cc1ccc(N([C@@H](C)C(=O)NCCSCc2ccccc2)S(C)(=O)=O)cc1 408543412 DHASPKQHRIYAKJ-KRWDZBQOSA-N 406.573 3.199 0 40 HGAB COc1cc2c(cc1C)C(=O)[C@H]([C@@]1(O)C(=O)Nc3ccc(Br)cc31)CC2 408567143 PVNHVTGUMIIHAG-VLIAUNLRSA-N 416.271 3.351 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)NCc2ccccc2Cl)cc1 408601713 GPWXSIJVQFOYET-UHFFFAOYSA-N 410.923 3.066 0 40 HGAB C[C@@H]1C=CC[C@H]2C(=O)N(c3ccc(C(=O)Nc4cccc(C(=O)O)c4)cc3)C(=O)[C@@H]12 408672631 OGWUWKPTSOZZIM-ZNOIYHFQSA-N 404.422 3.339 0 40 HGAB Cc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(=O)NCc1ccc(Cl)cc1 409390790 LMAMMOVQBCHKKO-UHFFFAOYSA-N 422.934 3.128 0 40 HGAB O=C(NCCn1ccnc1-c1cnccn1)c1cc(Br)ccc1Cl 575610290 VEDCJDFEUOBCCK-UHFFFAOYSA-N 406.671 3.186 0 40 HGAB CC[C@@H]1C[C@H](CC(=O)N(C)CCCN(C)C(=O)C[C@@H]2CCO[C@H](CC)C2)CCO1 582260672 IILORUAWGHEGBN-XRXFAXGQSA-N 410.599 3.484 0 40 HGAB O=C(N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1N1CCCCC1)c1ccc(F)cc1 585262405 PGMRRVMFXPBRAW-CZYKHXBRSA-N 416.468 3.130 0 40 HGAB CO[C@@H]1CCN(C2CCN(S(=O)(=O)c3ccc(-c4ccc(F)cc4)cc3)CC2)C1 1565522935 CAGMFRYEZAWMGH-OAQYLSRUSA-N 418.534 3.367 0 40 HGAB C[C@H](CNS(=O)(=O)C1=Cc2cc(Br)ccc2OC1)c1ccccn1 1664421159 CFSGAFDWIPXCLQ-GFCCVEGCSA-N 409.305 3.301 0 40 HGAB C[C@@H]1CN(C(=O)Nc2cccc(S(=O)(=O)N3CCCCCC3)c2)C[C@@H](C2CC2)O1 1665571105 ZULXBDMYBQEWKD-UZLBHIALSA-N 421.563 3.283 0 40 HGAB CN(C)c1cccc(C(=O)N2C[C@@H]3CN(c4ccc(C(F)(F)F)cn4)C[C@@H]3C2)c1 1888866322 ZDEIGADUCXFLTF-IYBDPMFKSA-N 404.436 3.375 0 40 HGAB CCCc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3c(C)noc3C)C2)cc1 32200848 FKZCFUQFUNSCIF-QGZVFWFLSA-N 405.520 3.283 0 40 HGAB CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(OC)cc3)C2)cc1 809612 IDBDRCNFSHZWPJ-INIZCTEOSA-N 418.515 3.133 0 40 HGAB Cc1ccc(OC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)cc1C 855903 YOJHRHFBQURNLF-UHFFFAOYSA-N 409.891 3.197 0 40 HGAB COc1ccc(C(=O)COC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccccc2)cc1 3222526 CYCUPDBWPUHDFJ-JOCHJYFZSA-N 417.461 3.462 0 40 HGAB CN(C(=O)COC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1)c1ccccc1 3480871 YRIYJCFXGRHHBA-UHFFFAOYSA-N 414.417 3.307 0 40 HGAB O=C(CN1CCC(n2nnc3ccccc32)CC1)Nc1ccccc1Br 4489319 GWUZZZQKVBQEKV-UHFFFAOYSA-N 414.307 3.469 0 40 HGAB O=C(CCC(=O)N(CC(=O)NC1CCCC1)c1ccccc1F)Nc1nccs1 4848321 SQSYWSNRCDOEAO-UHFFFAOYSA-N 418.494 3.093 0 40 HGAB COC(=O)c1ccc(CS(=O)(=O)N2CCC[C@H]2c2ccc(OC)c(OC)c2)cc1 32824139 PCLJDGVZZDVGDX-SFHVURJKSA-N 419.499 3.157 0 40 HGAB COc1cc(C)ccc1OC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 7747628 IOJGKLAKJOPKOS-HZPDHXFCSA-N 419.499 3.021 0 40 HGAB CCNS(=O)(=O)c1ccc(C(=O)O[C@@H](C)c2nnc(-c3cccc(C)c3)o2)cc1 11979284 LDDZDZHNMMWCEP-AWEZNQCLSA-N 415.471 3.261 0 40 HGAB O=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)[C@H]1CCCN1C(=O)c1ccco1 32907956 BMOUWHHYJAMKMS-LJQANCHMSA-N 415.921 3.318 0 40 HGAB O=C(C1CCOCC1)N1CCCCC[C@@H]1C1CCN(Cc2nc(C3CC3)no2)CC1 69742778 GROPZEBZNLEBLW-HXUWFJFHSA-N 416.566 3.357 0 40 HGAB CCOc1cc([C@@H]2N[C@H](C(=O)O)CS2)ccc1OCc1cc(OC)ccc1OC 10130130 GKBXBIIXNGCBTH-OXJNMPFZSA-N 419.499 3.470 0 40 HGAB C[C@H]1CCC[C@H](C)N1C(=O)COC(=O)CNC(=O)c1ccc(Cl)cc1Cl 8137148 NTRDXNWADUFIRX-RYUDHWBXSA-N 401.290 3.056 0 40 HGAB O=C(C[C@H]1C(=O)Oc2ccccc2N1C(=O)COc1ccccc1)Nc1ccccc1 10384972 LJRPEJZPLLSDCF-FQEVSTJZSA-N 416.433 3.415 0 40 HGAB CC(C)[C@@H](c1nnnn1Cc1ccc(F)cc1)N1CCN(c2ccc(O)cc2)CC1 57670821 UZURYGOXPGLNRO-NRFANRHFSA-N 410.497 3.085 0 40 HGAB O=C(O)[C@@H](Cc1c[nH]cn1)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O 938084 MVBAHBIPDDTVQY-RXMQYKEDSA-N 423.039 3.315 0 40 HGAB CCOc1ccc([C@@H](C)NC(=O)CN(c2ccc(CC)cc2)S(C)(=O)=O)cc1 20460557 ZWFLGGVKBZIDNE-MRXNPFEDSA-N 404.532 3.291 0 40 HGAB Cc1nc2ccccc2c(=O)n1CCC(=O)NCCOc1ccc2ccccc2c1 29962617 ZBKHNAPWMPPACB-UHFFFAOYSA-N 401.466 3.443 0 40 HGAB O=C(CSc1nc2ccsc2c(=O)n1Cc1ccc(F)cc1)N1CCCC1 3059160 QHQRQBJZFSVSQW-UHFFFAOYSA-N 403.504 3.360 0 40 HGAB CC1(C)[C@H]2CC[C@]1(C)C(=O)N(CCCCN1C(=O)[C@@H]3CC[C@@](C)(C1=O)C3(C)C)C2=O 100737456 FTDYMXHCUFFFRQ-FLBGIQCYSA-N 416.562 3.389 0 40 HGAB O=C(c1ccc(NC2=C(Cl)C(=O)N(CCc3ccccc3)C2=O)cc1)N1CCCC1 1785835 XLJNTKBGSXQISZ-UHFFFAOYSA-N 423.900 3.396 0 40 HGAB CCOC(=O)C1=C(CN(C)Cc2cccc(F)c2)NC(=O)N[C@@H]1c1cccs1 27348921 GNGFHYNRAOZHNK-GOSISDBHSA-N 403.479 3.190 0 40 HGAB CCOC(=O)CN(C(=O)CN1CCC[C@H]1c1ccc2c(c1)OCCO2)c1ccccc1 10053944 XDTFZOSJVYFGDK-FQEVSTJZSA-N 424.497 3.191 0 40 HGAB COc1cc(Nc2cc3n(c(=O)n2)CCc2cc(OC)c(OC)cc2-3)cc(OC)c1 2111192 LLJZUULOYFJLAQ-UHFFFAOYSA-N 409.442 3.244 0 40 HGAB biogenic COC(=O)c1cc(Cl)c(NC(=O)NCc2cccnc2-n2cccn2)cc1OC 48112780 TVQNQACHEFTPDR-UHFFFAOYSA-N 415.837 3.038 0 40 HGAB O=C(Nc1nnc(Cc2ccc(F)cc2)s1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 36354619 XSYLOZSSAURWEX-CYBMUJFWSA-N 414.437 3.399 0 40 HGAB COc1ccc2cc([C@H](C)C(=O)NCc3ccc(CS(N)(=O)=O)cc3)ccc2c1 10706844 QMFJEADGMWUYRJ-HNNXBMFYSA-N 412.511 3.057 0 40 HGAB O=C(NCCc1ccc(Br)s1)NC[C@H]1CCN(CC(F)(F)F)C1 45393830 PUZUJXRSNTZTEG-SNVBAGLBSA-N 414.291 3.237 0 40 HGAB Cc1ccnn1C[C@@H](C)CNC(=O)c1cc(-c2ccc(Cl)cc2)nc2ncnn12 36618891 IJBWSCWVAJIAAT-ZDUSSCGKSA-N 409.881 3.016 0 40 HGAB CC(C)Oc1ccc(C(=O)N2CCC(NS(=O)(=O)c3cccs3)CC2)cc1 11450460 FAUYLIHRZQLMAK-UHFFFAOYSA-N 408.545 3.118 0 40 HGAB O=C(Nc1cccc(S(=O)(=O)C2CCCC2)c1)N1CCC[C@@H](C2OCCO2)C1 69232349 YHVBHHCLALHPNN-OAHLLOKOSA-N 408.520 3.020 0 40 HGAB Cc1noc(CSc2ccccc2C(=O)O[C@@H](C)C(=O)Nc2cc(C)on2)n1 12889194 MRAHMEMLMSQNRO-NSHDSACASA-N 402.432 3.151 0 40 HGAB Cc1cccc(C)c1NC(=O)CSc1nnc(-c2cccs2)n1CCC(N)=O 12804994 VSLRTMUGPIYEEB-UHFFFAOYSA-N 415.544 3.230 0 40 HGAB COc1cc(C(=O)N2CCN(C(C)=O)CC2)ccc1OCc1ccccc1Cl 12889628 JKPCNBPNEDULEH-UHFFFAOYSA-N 402.878 3.232 0 40 HGAB Cc1nc(C)c(CCC(=O)Nc2ncc(Cc3ccc(F)c(F)c3)s2)c(=O)[nH]1 12946908 AENNHUWKOSSWQQ-UHFFFAOYSA-N 404.442 3.284 0 40 HGAB CCOC(=O)[C@H]1CCCN(CCC(=O)Nc2ccc(Br)cc2F)C1 13009297 WHNUOFULFYUECP-LBPRGKRZSA-N 401.276 3.192 0 40 HGAB CC(C)CCNC(=O)[C@H](C(C)C)N1C(=O)N2CCc3c([nH]c4ccccc34)[C@@]2(C)C1=O 4083878 IPXPTYMABMIXFU-CYFREDJKSA-N 424.545 3.390 0 40 HGAB biogenic COc1cc(F)ccc1-c1ccc(=O)n(CC(=O)Nc2nc3ccccc3s2)n1 49545317 ONIXIOCMBFCDLJ-UHFFFAOYSA-N 410.430 3.306 0 40 HGAB CCC(=O)c1ccc(OC[C@H](O)CSc2nnnn2-c2c(C)cccc2C)cc1 14238332 JGPZVXMETHGNPV-KRWDZBQOSA-N 412.515 3.404 0 40 HGAB O=S(=O)(c1ccc(CNCc2ccc(C(F)(F)F)cc2)cc1)N1CCOCC1 17317364 PNYWNSRHYLBFHO-UHFFFAOYSA-N 414.449 3.016 0 40 HGAB COc1ccc(-c2cc(=O)oc3cc(O[C@H](C)C(=O)NCCCN(C)C)ccc23)cc1 6623726 BNYLAWCLPNCWKX-MRXNPFEDSA-N 424.497 3.304 0 40 HGAB biogenic Cc1ccccc1CNC(=O)c1ccccc1NC(=O)C(=O)NCc1cccs1 408708976 NTSRFHUHNXOAIG-UHFFFAOYSA-N 407.495 3.241 0 40 HGAB O=C(NN1C(=O)NC2(CCCCC2)C1=O)c1cc(Br)ccc1Cl 14792471 QNUPOJMZKJLDHO-UHFFFAOYSA-N 400.660 3.002 0 40 HGAB Cc1occc1-c1nnc(SCC(=O)Nc2ccc(N3CCCC3=O)cc2)n1C 7114321 KDOALPHEVHWGLF-UHFFFAOYSA-N 411.487 3.241 0 40 HGAB O=S(=O)(Nc1cc2c(cc1Br)OCCO2)c1ccc(F)c(F)c1F 16120843 ANPAAQIMHXUTEI-UHFFFAOYSA-N 424.194 3.438 0 40 HGAB CSc1cccc(NC(=O)CN2N=C(c3nc(-c4ccccc4)no3)CCC2=O)c1 71328284 LSAHYPFJMSPXAM-UHFFFAOYSA-N 421.482 3.424 0 40 HGAB O=S1(=O)C[C@H]2N=C(SCc3ccccc3)N(CCc3ccc(F)cc3)[C@@H]2C1 9484786 UEJMLSQGFYAHNE-RTBURBONSA-N 404.532 3.139 0 40 HGAB O=C(Nc1cccc(C(=O)Oc2ccc(C(=O)Nc3nncs3)cc2)c1)NC1CC1 71862801 GFTTZVINZJVGRX-UHFFFAOYSA-N 423.454 3.294 0 40 HGAB O=C(CSc1nc(C2CC2)n(-c2ccccc2)n1)Nc1ccc2[nH]c(=O)[nH]c2c1 9613604 VKCBXGWFQSWRDC-UHFFFAOYSA-N 406.471 3.045 0 40 HGAB O=C(OCCOc1ccc(F)cc1)c1cccc(S(=O)(=O)NCc2ccco2)c1 9745844 QOOMOLLHNULYBG-UHFFFAOYSA-N 419.430 3.133 0 40 HGAB O=C(COc1ccc2c3c(c(=O)oc2c1)CCCC3)NC[C@@H]1CCCN2CCCC[C@H]12 79189056 SOZSZWOEIJUELM-HTAPYJJXSA-N 424.541 3.431 0 40 HGAB biogenic O=C(NC1CCN(Cc2ccccc2)CC1)[C@H]1CCCN(c2ccc(Cl)nn2)C1 79495096 RURJAEFHQNPQHP-SFHVURJKSA-N 413.953 3.127 0 40 HGAB COc1cc(CNC2(c3nn[nH]n3)CCCC2)cc(Br)c1OC(F)F 95960133 PMVGIMAFWHKZKE-UHFFFAOYSA-N 418.242 3.131 0 40 HGAB CC(=O)c1cccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)c1 408657413 JYSBXKCBOMSLDT-SFHVURJKSA-N 408.454 3.041 0 40 HGAB Cc1ncsc1CN1C[C@H]2c3cc(-c4ccc(F)nc4)ccc3S(=O)(=O)[C@H]2C1 306138305 RURADFDVMUUQFP-LPHOPBHVSA-N 415.515 3.408 0 40 HGAB Cc1ncsc1C(=O)N[C@H]1CCCC[C@]12CN(Cc1ccc(O)c(F)c1)CCO2 306142697 XGPAYDPXDQCLND-RXVVDRJESA-N 419.522 3.240 0 40 HGAB Cc1cc(F)ccc1S(=O)(=O)NCCCCN1CCO[C@H](c2ccccc2)C1 36700423 KBGZMQLGIZXWMZ-FQEVSTJZSA-N 406.523 3.266 0 40 HGAB O=C(c1cc(-n2cnnn2)ccc1Cl)N1CCC(O)(c2ccc(Cl)cc2)CC1 32101996 MVIYHGIVCYOSLX-UHFFFAOYSA-N 418.284 3.093 0 40 HGAB CCc1ccc(NC(=O)CSc2nc3nccnc3c(=O)n2Cc2ccco2)cc1 9405218 MHMQVBJWOBSOEZ-UHFFFAOYSA-N 421.482 3.121 0 40 HGAB COc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccc(C)c(C)c4)ccn3n2)cc1 46005075 GQOXJVHIVSBIMV-UHFFFAOYSA-N 402.454 3.427 0 40 HGAB O=C(Cn1c(=O)cc(C(=O)N2CCCCC2)c2ccccc21)Nc1cccc(F)c1 46081262 VOOKRFCSIWZSBN-UHFFFAOYSA-N 407.445 3.405 0 40 HGAB COC(=O)c1cc(S(=O)(=O)N[C@@H]2CC(C)(C)Oc3ccc(OC)cc32)ccc1C 224620120 LHYISXPLJTUNEO-GOSISDBHSA-N 419.499 3.371 0 40 HGAB CC[C@H](NC(=O)CN(c1ccccc1F)S(C)(=O)=O)c1ccc(OC)c(C)c1 224752488 SHJXEQFARFIFPX-KRWDZBQOSA-N 408.495 3.176 0 40 HGAB Cc1cc(C)c(N(CC(=O)NCCOc2cccc(C)c2C)S(C)(=O)=O)c(C)c1 223940196 PYCNEJQBRFGSGR-UHFFFAOYSA-N 418.559 3.190 0 40 HGAB CCN(CC)C(=O)N1CCC[C@H](C(=O)N[C@H](C)c2cc(OC)c(OC)cc2C)C1 40134330 ZGGIIZDIUFULGX-SJORKVTESA-N 405.539 3.363 0 40 HGAB COc1ccc(CN(C)C(=O)CCc2ccc(S(=O)(=O)NCC(C)C)cc2)cc1 222843938 HBDFJGMFHLNKLK-UHFFFAOYSA-N 418.559 3.221 0 40 HGAB COc1ccc(CNC(=O)c2ccc3c(=O)n(-c4ccccc4F)cnc3c2)cc1 94993040 YIWWOAMWKLSVGX-UHFFFAOYSA-N 403.413 3.463 0 40 HGAB O=C(Cn1cccnc1=O)N1CCCC[C@@H]1c1ncc(Cc2ccc(Cl)cc2)o1 257232651 GLVRHNNGCXKWLT-GOSISDBHSA-N 412.877 3.229 0 40 HGAB CC1(C)Oc2c(O)cccc2[C@@H]2O[C@@H]3CCN(C(=O)CCCc4cn[nH]c4)[C@@H]3C[C@H]21 257228390 FTPWOSKURIMAJM-ZJSJBZJDSA-N 411.502 3.356 0 40 HGAB COc1ccccc1[C@H](C)NC(=O)[C@H](C)N(c1ccc(F)c(F)c1)S(C)(=O)=O 260798316 RUMUEDLOEGVQGL-STQMWFEESA-N 412.458 3.005 0 40 HGAB COc1ccc(Nc2nc(C(=O)N3CCc4ccccc4[C@@H]3C(N)=O)cs2)cc1 673664551 GFWDIAFNCYIOMD-GOSISDBHSA-N 408.483 3.120 0 40 HGAB FC(F)c1noc(CNc2ncnc3ccc(I)cc23)n1 1186757257 PBQIOUJUANKRRA-UHFFFAOYSA-N 403.130 3.167 0 40 HGAB Cc1cc(C)nc(Nc2cc([C@@H]3CCCCN3C(=O)/C=C/CN(C)C)nc(C)n2)n1 585292507 NRRUBQUHPSYFTE-RQMBKDMJSA-N 409.538 3.107 0 40 HGAB Cc1cc(-c2snnc2[C@@H]2CCCN(C(=O)c3[nH]nc4c3C[C@@H](C)CC4)C2)on1 12221513 NUAZWBLGGDRRKS-WCQYABFASA-N 412.519 3.369 0 40 HGAB COc1cccc([C@@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)NC[C@@H]4CCCO4)c3N2)c1 13124058 URNPSFADKPRTEG-BHYGNILZSA-N 424.423 3.461 0 40 HGAB Cc1cc(C(F)(F)F)n2nc([C@H]3CCCN(C(=O)c4snnc4C)C3)cc2n1 13225540 VAEHAOYINDALGN-NSHDSACASA-N 410.425 3.236 0 40 HGAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(F)c(Cl)c2)cc1 13633153 LYSSWAXJBBZLKR-UHFFFAOYSA-N 400.859 3.137 0 40 HGAB COc1ccc(S(=O)(=O)Nc2c(C)nn(Cc3cccc(OC)c3)c2C)cc1 14234307 XFKZEAFOTUSSAG-UHFFFAOYSA-N 401.488 3.366 0 40 HGAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1cc(OC)c(OC)cc1C(=O)OC 14398650 FEHPFRFCUILCQP-QGZVFWFLSA-N 403.431 3.295 0 40 HGAB FC(F)(F)c1ccc(-c2noc(CN3CCCC[C@H]3CN3CCOCC3)n2)cc1 19336976 BPWCNQUJHOIATI-KRWDZBQOSA-N 410.440 3.442 0 40 HGAB O=C(CN1CCCCCC1)N[C@@H](Cc1cc(=O)[nH]c(C2CCC2)n1)c1ccccc1 19369322 VJONDQWVBAOWEK-NRFANRHFSA-N 408.546 3.313 0 40 HGAB CCC[C@@H](C(=O)Nc1ccc(CN2C(=O)NC(C)(C)C2=O)cc1)n1nc(C)cc1C 19501828 OUBPDXPAOMXEEQ-SFHVURJKSA-N 411.506 3.310 0 40 HGAB C[C@]1(C(=O)N2CCCN(Cc3ccccn3)CC2)CC(c2ccccc2Cl)=NO1 19661020 KCPYNWXFAMYVFE-JOCHJYFZSA-N 412.921 3.353 0 40 HGAB CCn1nccc1C(=O)N1CCC[C@H](NC(=O)c2ccc(C(F)(F)F)nc2C)CC1 19749095 MZJMFFSZGSGLJH-AWEZNQCLSA-N 423.439 3.050 0 40 HGAB COc1ccc(-n2ccc3c(nnc4c(-c5ccccc5)c(C)nn43)c2=O)c(OC)c1 19818937 OAZRGVNUEMKAGQ-UHFFFAOYSA-N 413.437 3.421 0 40 HGAB O=C(CCCn1cccn1)N1CCOCCOc2ccccc2Oc2ncccc2C1 643573722 KQRULYRYUIZREA-UHFFFAOYSA-N 422.485 3.288 0 40 HGAB Cc1ccc2c(c1)Cc1cccc(c1)CN(C(=O)Cc1nonc1C)CCOCCO2 643572678 MYUJLDMGIQWRRQ-UHFFFAOYSA-N 421.497 3.258 0 40 HGAB CC1(C)Cc2nc(-c3ccncc3)ncc2[C@H](NC(=O)C[C@@H]2CC(C)(C)OC2=O)C1 12221159 ZPHJXZPTTLSIJH-NVXWUHKLSA-N 408.502 3.400 0 40 HGAB COc1nc(C)c(CC(=O)N[C@H](Cc2ccsc2)c2nc(C)cs2)c(OC)n1 12227580 QSLCMNPAFBFRTC-OAHLLOKOSA-N 418.544 3.271 0 40 HGAB CCC(C)(C)NC(=O)CN1CCC[C@@H](c2c(-c3cc(C)no3)cnc3cc(C)nn23)C1 19499503 UYIDICGKYVZMDE-QGZVFWFLSA-N 424.549 3.485 0 40 HGAB COc1ccc(CN2C[C@@H]3CCCN3C[C@H]2CCSC)cc1Cn1ccnc1 19559493 RLKQIUIRVMJAQY-LEWJYISDSA-N 400.592 3.342 0 40 HGAB O=C(COc1ccc(C(=O)c2ccc(F)cc2)cc1)NCc1ccc2c(c1)OCO2 3310955 VFXSGEXMNBXIAE-UHFFFAOYSA-N 407.397 3.481 0 40 HGAB COCCCn1cnnc1SCC(=O)Nc1ccccc1C(=O)c1ccccc1 3457476 LNGUUTLRIUZQDE-UHFFFAOYSA-N 410.499 3.276 0 40 HGAB O=C(Nc1ccccc1OC(F)F)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 6329570 ADLCEIPIYKITFV-GFCCVEGCSA-N 404.369 3.051 0 40 HGAB Cc1c(C(=O)N2CCN(CCOc3ccccc3Cl)CC2)[nH]c2c1C(=O)CCC2 28636664 VNVJTSNAHJYZLO-UHFFFAOYSA-N 415.921 3.332 0 40 HGAB COc1ccc([C@@H]2c3cccn3CCN2S(=O)(=O)c2ccccc2F)cc1OC 12361686 QCCPYLCMYUPBHR-OAQYLSRUSA-N 416.474 3.438 0 40 HGAB COc1ccc(S(=O)(=O)[C@H](CNC(=O)Cc2ccc(F)cc2)c2ccco2)cc1 15781126 JHMGURJZALLZMC-HXUWFJFHSA-N 417.458 3.301 0 40 HGAB O=C(NCc1ccc2c(c1)OCO2)C(=O)NCc1cc(-c2ccsc2)cs1 1775969869 PKBXTDGAPXIMDI-UHFFFAOYSA-N 400.481 3.138 0 40 HGAB O=S(=O)(c1ccc(Br)cc1)N1CC[C@H](Oc2ccncc2Cl)C1 575605540 KSQSLHMLIBPMFC-LBPRGKRZSA-N 417.712 3.340 0 40 HGAB COC(=O)C[C@@H](NC(=O)c1ccc(OCc2nccn2C)cc1)c1ccc(C)cc1 40119575 VIRIOALZUFAICR-HXUWFJFHSA-N 407.470 3.342 0 40 HGAB COCc1cc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc2c1OCOC2 40150878 OTVNIXJIEBJYCJ-UHFFFAOYSA-N 419.377 3.399 0 40 HGAB Cc1c(Cl)cccc1N1CCN(S(=O)(=O)C[C@@]23CC[C@H](CC2=O)C3(C)C)CC1 100194156 VEJWGLJWBOKRQS-IERDGZPVSA-N 424.994 3.496 0 40 HGAB COC(=O)c1c(NC(=O)COc2ccccc2C)sc2c1[C@@H](C(=O)OC)CC2 790574 JTJLCSGLTAVADU-LBPRGKRZSA-N 403.456 3.063 0 40 HGAB COc1ccc(-n2c(CNc3ccc(Cl)cc3)nnc2SCC(N)=O)cc1 900443 DOFBUTCGYSHVLS-UHFFFAOYSA-N 403.895 3.119 0 40 HGAB CC1=C(C(N)=O)[C@@H](c2ccccc2Cl)N2NC(c3ccc(Cl)cc3)=NC2=N1 940655 MERLCAMEPMLIOY-MRXNPFEDSA-N 400.269 3.430 0 40 HGAB O=C1NC(=O)/C(=C\c2cc(Cl)c(OCc3ccc(C(=O)O)cc3)c(Cl)c2)N1 1101252 XBTDPDAMSTXJPR-VGOFMYFVSA-N 407.209 3.451 0 40 HGAB Cc1cccc2cc(CN(C(=O)N3CCOCC3)C3CCCCC3)c3nnnn3c12 1376740 JCZJFNRTEAIJSU-UHFFFAOYSA-N 408.506 3.173 0 40 HGAB O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)Oc1ccccc1C(=O)O 1703548 QJENIZJTAFEYFE-UHFFFAOYSA-N 404.444 3.170 0 40 HGAB CCCc1cc(=O)oc2c(C)c(O[C@@H](C)C(=O)N[C@H](C(=O)O)[C@@H](C)CC)ccc12 2155998 FYRDRWHCLLNEML-PJFSTRORSA-N 403.475 3.437 0 40 HGAB biogenic N=c1n(CCN2CCOCC2)c2ccccc2n1Cc1ccccc1Br 2362706 REKAMGPSQSKSHW-UHFFFAOYSA-N 415.335 3.065 0 40 HGAB Nn1c(SCC(=O)N2CCC(Cc3ccccc3)CC2)nnc1-c1cccs1 3431809 WTRYUEUNVMRAIS-UHFFFAOYSA-N 413.572 3.294 0 40 HGAB CC[C@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)c2ccc(OC)cc2OC)C1=O 3522025 OMRHQIJBCLLYJQ-OAQYLSRUSA-N 416.861 3.397 0 40 HGAB COc1ccc(CNC(=O)COc2ncnc3sc4c(c23)CCCC4)cc1OC 3599534 NSZIBAUEYPSCTD-UHFFFAOYSA-N 413.499 3.283 0 40 HGAB O=C(CSc1nnc2ccc(-c3cccs3)nn12)Nc1ccc2c(c1)OCO2 4376868 QRYNXAHAJPCWKZ-UHFFFAOYSA-N 411.468 3.312 0 40 HGAB COc1ccc(NC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@@H]3C2=O)cc1 4554311 CUNZZMHAVBCWQM-OHJZQYHNSA-N 418.493 3.276 0 40 HGAB O=C(COC(=O)/C=C/c1cccc(Cl)c1)Nc1ccc(N2CCOCC2)cc1 4808276 DHMLYVUUWNWMRI-RUDMXATFSA-N 400.862 3.372 0 40 HGAB CC(=O)[C@H]1[C@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@H]2[C@@H]2c3ccccc3C=NN12 5091221 KYMCRXNRHMJWMS-BJESRGMDSA-N 409.445 3.307 0 40 HGAB O=C(c1cccc(NS(=O)(=O)c2ccccc2)c1)N1CCN(c2ccccc2)CC1 5184656 PIQQHOLQPVWVNN-UHFFFAOYSA-N 421.522 3.450 0 40 HGAB Cc1ccc2nc(CSCc3nc4ccc(Cl)cc4n3CCO)cc(=O)n2c1 6586473 QHTOPFAJZWQBHL-UHFFFAOYSA-N 414.918 3.432 0 40 HGAB CC(C)[C@@H](NS(=O)(=O)c1ccccc1)C(=O)Nc1ccc(N2CCCC2)cc1 6609898 UKIHJXZNCWOERP-HXUWFJFHSA-N 401.532 3.228 0 40 HGAB O=C(COc1cc2oc(=O)c3c(c2cc1Cl)CCC3)NC[C@H](O)c1ccccc1 6659047 QCFVKBMQZIGIQM-SFHVURJKSA-N 413.857 3.164 0 40 HGAB Cn1c(=O)c2sc3c(c2n(CC(=O)c2ccc(Cl)cc2)c1=O)COC(C)(C)C3 6764348 IMLKMQVNHKXCIH-UHFFFAOYSA-N 418.902 3.149 0 40 HGAB CCc1ccc([C@@H]2c3c(C)nn(C)c3NC(=O)[C@H]2NC(=O)c2cccc(C)c2)cc1 6779682 PQFYPGMWZXXSHY-RTWAWAEBSA-N 402.498 3.482 0 40 HGAB CC(=O)Nc1nc(CSc2nc3ccccc3c(=O)n2C[C@H]2CCCO2)cs1 8708485 TYCNYHUWOWAYNG-CQSZACIVSA-N 416.528 3.283 0 40 HGAB COC(=O)c1cn(CC(=O)N[C@@H](C)c2ccc3c(c2)OCCCO3)c2ccccc12 9028234 UZVGJWOMTKDIBZ-HNNXBMFYSA-N 408.454 3.467 0 40 HGAB O=C(/C=C/c1ccco1)N(Cc1cccc(Br)c1)[C@@H]1CCS(=O)(=O)C1 9223198 SUZNSWYXPAZGRN-FYCOFBDGSA-N 424.316 3.271 0 40 HGAB CSCC[C@@H](NS(=O)(=O)c1cc(C)ccc1C)C(=O)Nc1cc(C)ccn1 9337115 ZPOHHFRGVSGJNJ-MRXNPFEDSA-N 407.561 3.046 0 40 HGAB CCOc1ccccc1NC(=O)c1nnn(-c2ccc(Br)cc2)c1N 9476638 QQIGXHJGBIPMRA-UHFFFAOYSA-N 402.252 3.263 0 40 HGAB Cn1c(=O)c2c(nc3n(-c4ccc(F)c(Cl)c4)c(-c4ccccc4)cn23)n(C)c1=O 10003264 RXIRPEALXFITNJ-UHFFFAOYSA-N 423.835 3.135 0 40 HGAB CCn1c(=O)n(CCC(=O)N[C@@H](Cc2ncc[nH]2)c2ccccc2)c2ccccc21 10644408 GFCQZYOLRABQGX-SFHVURJKSA-N 403.486 3.036 0 40 HGAB CCCS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)c3cccc(C)c3)cc21 11612441 SJVTZTTUHBUAJZ-UHFFFAOYSA-N 408.545 3.288 0 40 HGAB COc1ccc(NC(C)=O)cc1NC(=O)Cn1c(-c2cccs2)n[nH]c1=S 11658685 VSSLLVFUBFTVKJ-UHFFFAOYSA-N 403.489 3.275 0 40 HGAB COCCCN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@@H]1c1ccc(O)c(OC)c1 11915309 HVYKVMYPIMCLGP-FQEVSTJZSA-N 409.438 3.397 0 40 HGAB COc1ccc(C2=NN(CC(=O)NC(C)C)C(=O)c3cc4sccc4n3C2)cc1 12113597 CCFRRJFALCSLIH-UHFFFAOYSA-N 410.499 3.096 0 40 HGAB Cc1cc(O)n2nc([C@@H]3CCCN(C(=O)c4c(-c5cccnc5)noc4C)C3)cc2n1 12134531 ACORFANUMQBNFR-MRXNPFEDSA-N 418.457 3.122 0 40 HGAB O=C(c1cccs1)N1CCC[C@H]1Cn1nc(-c2ccc3c(c2)OCCO3)ccc1=O 12182251 KNLKTQPLIIBCFY-INIZCTEOSA-N 423.494 3.048 0 40 HGAB Cc1cccc(-n2c(SCC(=O)c3cc(C)[nH]c3C)nnc2N2CCOCC2)c1 12548905 PVORAEYCNOBQGR-UHFFFAOYSA-N 411.531 3.332 0 40 HGAB Cc1noc(C)c1S(=O)(=O)NCCC(=O)Nc1ccc2oc3ccccc3c2c1 12794759 CUUWJVQRTGSTJZ-UHFFFAOYSA-N 413.455 3.498 0 40 HGAB COc1ccc(CN(C)C(=O)c2ccc(Cl)c(S(=O)(=O)N(C)C)c2)cc1F 12974729 XWYVUVTTWFVKRD-UHFFFAOYSA-N 414.886 3.010 0 40 HGAB CCOC(=O)/C=C/c1ccc(NC(=O)CCN2C(=O)[C@H](C)Oc3ccccc32)cc1 13001469 LKFIDPZEBMXPEE-ISBHARSQSA-N 408.454 3.406 0 40 HGAB NC1=NC(SCC(=O)Nc2ccc(Cl)cc2)=N[C@@H](c2c[nH]c3ccccc23)N1 13579114 KXTVYQBZSPRDKS-KRWDZBQOSA-N 412.906 3.466 0 40 HGAB Cc1cc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)n(C(C)C)n1 13657085 YNNYPPQJOPVXHV-MRXNPFEDSA-N 410.927 3.218 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cc(C)nn3C(C)C)C2)cc1 13657105 HIRJMKPMSFSOAV-KRWDZBQOSA-N 404.536 3.120 0 40 HGAB C[C@H](OC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccccc1)C(N)=O 14321949 IGJMHJIVURXQCY-HNNXBMFYSA-N 400.438 3.177 0 40 HGAB COc1ccc(OC)c(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2C)c1 15083027 LODFUQOONIICEJ-UHFFFAOYSA-N 404.488 3.049 0 40 HGAB Cc1ccccc1-c1nc(NCC(=O)O)ncc1-c1nnnn1-c1ccc(Cl)cc1 16363057 AAAAFCYKCUZTSL-UHFFFAOYSA-N 421.848 3.245 0 40 HGAB O=C(NC(=S)NCc1ccco1)c1cc(I)ccc1Cl 17092426 ARDQPZIHRZAHGH-UHFFFAOYSA-N 420.659 3.342 0 40 HGAB CNC(=O)C1(Cc2ccccc2-c2ccccc2)CCN(C(=O)c2cnccn2)CC1 19700274 SQWIJPMPMYDFJD-UHFFFAOYSA-N 414.509 3.355 0 40 HGAB COc1c(F)cc2c(=O)c(C(=O)NCCc3ccc(F)cc3)cn(CCF)c2c1F 20724776 JHBWHCYIWWVFBC-UHFFFAOYSA-N 422.378 3.369 0 40 HGAB CCCCn1c(CN2CC[C@@H]3CCCC[C@@H]3C2)nc2cc(S(N)(=O)=O)ccc21 21582664 MGJMOSOSEXRDQM-DLBZAZTESA-N 404.580 3.496 0 40 HGAB CCCCn1c(CCC(=O)N[C@@H](C)C(C)C)nc2cc(S(=O)(=O)N(C)C)ccc21 21871860 WNDHVYKANBFUSR-INIZCTEOSA-N 422.595 3.180 0 40 HGAB COc1ccc(-c2csc3ncnc(NC4CCN(S(C)(=O)=O)CC4)c23)cc1 23074637 QTSQUESNROQOTM-UHFFFAOYSA-N 418.544 3.203 0 40 HGAB COc1ccc(OC)c(CN2CCN(C(=O)COc3ccccc3Cl)CC2)c1 23424594 ZZVPOMGJYVXEGW-UHFFFAOYSA-N 404.894 3.080 0 40 HGAB O=C(CN1CCC(NC(=O)NCCSc2ccccc2)CC1)Nc1ccccc1 26283173 OBTSRHTVBHPPDV-UHFFFAOYSA-N 412.559 3.181 0 40 HGAB COc1ccc2cc(CN3c4ccc(S(N)(=O)=O)cc4C[C@@H]3C)c(Cl)nc2c1 27556442 BHJNBLSUNBLYJW-LBPRGKRZSA-N 417.918 3.495 0 40 HGAB CCN(CC(=O)NC(C)(C)C)C(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1 28013669 LPWJYSMLHYDDRL-FQEVSTJZSA-N 409.530 3.311 0 40 HGAB COc1ccc(CN2C[C@H](C(=O)Nc3ccccc3Br)CC2=O)cc1 28404677 IPROPNFPPOMVMB-CQSZACIVSA-N 403.276 3.445 0 40 HGAB CCOC(=O)N1CCN([C@@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)CC1 32799846 HORMZRVJVVQWNR-OLZOCXBDSA-N 402.322 3.333 0 40 HGAB CCCCCn1c(=O)[nH]c2cc(-c3nc(-c4ccc5c(c4)OCO5)no3)ccc2c1=O 38655376 PYFQZNULPSYWPM-UHFFFAOYSA-N 420.425 3.326 0 40 HGAB COc1cc(OC)c2[nH]c(C(=O)Nc3ccc(S(=O)(=O)NC(C)C)cc3)cc2c1 40058730 XBMRWKHFOCBGLM-UHFFFAOYSA-N 417.487 3.124 0 40 HGAB CCOC(=O)C[C@@H](c1ccc(F)cc1)C1CCN(C(=O)c2cnn(C)c2C)CC1 40071980 UPEUNDQJBFNAKC-IBGZPJMESA-N 401.482 3.457 0 40 HGAB O=C(c1cccc(C(F)(F)F)c1)N1CCN(C(=O)c2n[nH]c3ccccc23)CC1 40122023 SIWMENBHEMHKJQ-UHFFFAOYSA-N 402.376 3.180 0 40 HGAB O=C(C1CCN(c2ncccn2)CC1)N(Cc1ccc2c(c1)OCO2)C1CCCC1 40130776 ZPIMGJHLLNQCFN-UHFFFAOYSA-N 408.502 3.393 0 40 HGAB CC(C)[C@@H](NC(=O)c1ccc(F)cc1)C(=O)Nc1ccc(Cn2ccccc2=O)cc1 40134832 VBABLGQTIRHIPH-JOCHJYFZSA-N 421.472 3.429 0 40 HGAB CC(C)(C)NC(=O)N1CCC(CNS(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 43955957 UFGHCNUCKVSITK-UHFFFAOYSA-N 421.485 3.204 0 40 HGAB Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)N1CCC(Cc2ccccc2)CC1 48333217 RAHCMGGPNWNSGW-QFIPXVFZSA-N 407.493 3.386 0 40 HGAB COCCn1c(SCC(=O)Nc2cc(F)cc(F)c2)nc2ccsc2c1=O 57425865 HJLSTNCKRINXES-UHFFFAOYSA-N 411.455 3.113 0 40 HGAB CCn1c(SCC(=O)Nc2ccc(OC)c(Cl)c2)nc2cc(C)[nH]c2c1=O 57521844 IHXGNYMSNBFHAU-UHFFFAOYSA-N 406.895 3.446 0 40 HGAB CCc1cccc(NC(=O)CN2C(=O)N[C@](c3ccccc3)(C(F)(F)F)C2=O)c1 58250102 VJWPYLQUBPUXBG-IBGZPJMESA-N 405.376 3.197 0 40 HGAB COc1ccc(C(=O)Oc2cccc(NC3=NS(=O)(=O)c4ccccc43)c2)cc1 59488056 CVJLJPNAZRBXBR-UHFFFAOYSA-N 408.435 3.475 0 40 HGAB Cc1cc(C(=O)OCc2cc(Cl)cc3c2OCOC3)ccc1N1CCNC1=O 64084540 WVJFUGYMGRFLFG-UHFFFAOYSA-N 402.834 3.402 0 40 HGAB COC(=O)c1cc(OCC(=O)Nc2cc(F)ccc2F)c2cc(OC)ccc2n1 65033220 ROJQTPIYDDCOFW-UHFFFAOYSA-N 402.353 3.326 0 40 HGAB COc1ccc(NC(=O)c2nnn(CC(=O)Nc3ccc(C)c(Cl)c3)c2C)cc1 67323031 AMDRUAIFBRUFGT-UHFFFAOYSA-N 413.865 3.448 0 40 HGAB COC(=O)/C(=C\Nc1ccc2c(c1)OCCO2)S(=O)(=O)c1ccc(Cl)cc1 67340312 GUVSBMPMYMDMEC-GZTJUZNOSA-N 409.847 3.011 0 40 HGAB CCN(CC)C(=O)c1cnc([C@@H]2CCCCN2C(=O)COc2ccccc2)nc1C 72345487 PCHOVJVOPDYGMJ-FQEVSTJZSA-N 410.518 3.400 0 40 HGAB COc1ccc(OC)c(CN2CCNC(=O)[C@@H]2Cc2ccc(-c3cccnc3)cc2)c1 72351869 PYWBEKDRNYERND-QHCPKHFHSA-N 417.509 3.309 0 40 HGAB COc1ccc(CC(=O)N2CCC([C@@H]3C[C@H](C(F)F)n4ncnc4N3)CC2)cc1C 72395692 WNXLQNBDDHCHBZ-DLBZAZTESA-N 419.476 3.067 0 40 HGAB O=C(Nc1ccc(CC(=O)N2CCC(O)CC2)cc1)c1ccc(OC(F)(F)F)cc1 77200944 YJSFQPKQXOHNJC-UHFFFAOYSA-N 422.403 3.363 0 40 HGAB CC(C)Oc1ccc(C(=O)O)cc1NS(=O)(=O)c1ccc2c(c1)OCCCO2 79061828 VINKUTYRQUNRSW-UHFFFAOYSA-N 407.444 3.134 0 40 HGAB COc1ccc(C)cc1N1C[C@H](C(=O)N(C[C@@H](O)c2ccccc2)C2CC2)CC1=O 84144644 VIQDXTWEKOFWEP-WIYYLYMNSA-N 408.498 3.081 0 40 HGAB COCCOc1cccc(C(=O)N[C@H](C)[C@H](O)c2ccc(Br)cc2)c1 89598494 MSLQUCMTPWAJFO-ACJLOTCBSA-N 408.292 3.326 0 40 HGAB CSCC[C@H](NC(=O)c1cccc(C)c1)C(=O)N[C@H](CCO)c1cccs1 89669030 KHYPDSYUJXGVDT-SJORKVTESA-N 406.573 3.148 0 40 HGAB CN(C)CCNC(=O)C[C@@H]1CC2(CCN(Cc3ccncc3)CC2)c2ccccc21 96052881 PODQEYSRLLPNOT-OAQYLSRUSA-N 406.574 3.171 0 40 HGAB COc1ccc(S(=O)(=O)NCCn2nc(C(F)(F)F)c3c2CCCC3)c(C)c1 96121571 FDIDMSFJNFYAIZ-UHFFFAOYSA-N 417.453 3.076 0 40 HGAB Cc1cccc(NC(=O)N2CCC3(CC2)CN(CC(C)C)C[C@]32CCN(C)C2=O)c1 96144214 LJVFBUFUTVNVIH-DEOSSOPVSA-N 412.578 3.429 0 40 HGAB COc1ccc2c(c1)[C@H]1C[C@@](C)(NC(=O)[C@@H]1S(=O)(=O)c1ccc(C(C)C)cc1)O2 100894816 LXCBAGKGWZQIAG-UZKOGDIHSA-N 415.511 3.373 0 40 HGAB COc1ccc(NC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 101420852 CJRBEPKBGJUMOY-BXLRBYEISA-N 416.477 3.052 0 40 HGAB CCCOc1ccc(N2C(=O)C[C@@H](Nc3cc(NC(C)=O)ccc3OC)C2=O)cc1 102395942 LDBLQRYEFFGCQD-LJQANCHMSA-N 411.458 3.186 0 40 HGAB COc1ccc([C@@H]2C=C(C(=O)O)Nc3c(C(=O)Nc4ccccc4OC)cnn32)cc1 102820900 QPOFAPKBIGQQKM-SFHVURJKSA-N 420.425 3.136 0 40 HGAB C[C@@H]([C@H]1C[C@H]2CC[C@H]1C2)N1C(=O)C(=O)N(CC(=O)Nc2ccc(F)cc2Cl)C1=O 104673219 FBHAHLLMZDWJOM-ZJQBRPOHSA-N 421.856 3.033 0 40 HGAB CC[C@@H](NC(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C)c1ccc(C)cc1 113947498 JUHYSBJSXOSZDA-GOSISDBHSA-N 407.511 3.014 0 40 HGAB Cc1ccc(NC(=O)CCCN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)c(C)c1 113965851 KGWIKCSTVBHRRO-UHFFFAOYSA-N 418.515 3.260 0 40 HGAB COc1cc(/C=C(\Sc2nnc(C)o2)C(=O)O)cc(Br)c1OC 211528994 CGIFZMBAIFZJHS-WDZFZDKYSA-N 401.238 3.376 0 40 HGAB CCOC(=O)c1cccc(NC(=O)CCCN(c2ccccc2)S(C)(=O)=O)c1C 219168859 KWQZBPJRUUWVIH-UHFFFAOYSA-N 418.515 3.357 0 40 HGAB CCOc1ccc(CCCNS(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1 219218771 JAUKGDFWECHZNM-UHFFFAOYSA-N 402.516 3.123 0 40 HGAB CC(C)Oc1cccc(N(CC(=O)NCCCc2ccc(F)cc2)S(C)(=O)=O)c1 220109876 ALAKPQIFWLBIIA-UHFFFAOYSA-N 422.522 3.128 0 40 HGAB CCc1cccc(C)c1NC(=O)[C@H](C)N(c1cc(OC)ccc1OC)S(C)(=O)=O 220215521 QVEVHBIRBNRZAS-HNNXBMFYSA-N 420.531 3.368 0 40 HGAB C[C@H](C(=O)Nc1cccc(Br)c1)N(c1cccc(F)c1)S(C)(=O)=O 220465312 HQVGIODTKDJAKR-LLVKDONJSA-N 415.284 3.381 0 40 HGAB CNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)COc1ccc(Br)cc1 222429083 BKVWNTYJTQSDDT-HNNXBMFYSA-N 419.319 3.300 0 40 HGAB O=C(NCCc1ccccc1)[C@H]1CN(C(=O)COc2ccccc2)c2ccccc2O1 222951322 XKDJJYXNXJESES-HSZRJFAPSA-N 416.477 3.219 0 40 HGAB COc1ccc(CN(C(=O)CCc2ccccc2)[C@H](C)C(=O)NC[C@@H]2CCCO2)cc1 222993676 MHVBHIFTIAAFRY-XXBNENTESA-N 424.541 3.340 0 40 HGAB CCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CCc1ccc(OC)c(OC)c1 223585440 XXCMPQUHLLOQNR-SFHVURJKSA-N 412.530 3.498 0 40 HGAB Cc1cc(C)cc(N([C@@H](C)C(=O)NCCOc2ccc(Cl)cc2)S(C)(=O)=O)c1 223893402 KTPXDYGYABZWQS-INIZCTEOSA-N 424.950 3.307 0 40 HGAB COc1ccc(S(=O)(=O)NC[C@H](C)c2ccccc2)cc1C(=O)N1CCCC1 224030470 KATRVANQFPRTAS-INIZCTEOSA-N 402.516 3.013 0 40 HGAB Cc1cc(C)cc(N(CC(=O)Nc2nnc(-c3ccccc3)s2)S(C)(=O)=O)c1 224781631 QSSTTWQSKFQIPX-UHFFFAOYSA-N 416.528 3.227 0 40 HGAB CS(=O)(=O)N(CC(=O)Nc1ccc(Cc2ccncc2)cc1)Cc1ccccc1 225173572 PMIDQUNYOANDHT-UHFFFAOYSA-N 409.511 3.073 0 40 HGAB COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)N(c1cc(C)ccc1OC)S(C)(=O)=O 225386264 QMFZSXNCWDUEBU-HZPDHXFCSA-N 420.531 3.044 0 40 HGAB CCOc1ccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)cc1 225521013 KVRYPMSRIHWYSJ-LJQANCHMSA-N 416.543 3.111 0 40 HGAB Cc1ccc2c(c1)[C@@H](NC(=O)[C@@H](c1ccccc1)N(C)S(C)(=O)=O)CC(C)(C)O2 225595530 KXENHVFKHXSZQX-AZUAARDMSA-N 416.543 3.346 0 40 HGAB Cc1ccc(OC[C@@H](C)NC(=S)Nc2cccc(N(C)S(C)(=O)=O)c2)cc1 225641444 XPUDDLZQRZGKSW-OAHLLOKOSA-N 407.561 3.145 0 40 HGAB Cn1c(=O)sc2cc(S(=O)(=O)NCc3ccc(Cl)cc3Cl)ccc21 225672900 LTMKRFHMEPPGEV-UHFFFAOYSA-N 403.312 3.385 0 40 HGAB CCOc1cc(CNS(=O)(=O)c2cc3c(cc2OC)CCCC3)ccc1OC 225858540 NIVGPLFZTKIHCB-UHFFFAOYSA-N 405.516 3.460 0 40 HGAB O=C(c1cccc(-n2cccn2)c1)N1CC[C@@H](Oc2ncccc2Br)C1 238839672 HOHVNIOQFWNFFM-MRXNPFEDSA-N 413.275 3.323 0 40 HGAB OC[C@@H]1CCCN(c2ncc3c(n2)C[C@H]2CC[C@H]3N2Cc2c(F)cccc2F)C1 247874561 SLJVYCUVFRMVDJ-VTJXTGGHSA-N 400.473 3.225 0 40 HGAB CNc1cc(C(=O)N2CCO[C@@H](c3cccc(Cc4ccccc4F)n3)C2)ccn1 257202687 AMWMRUZSWFJDJG-OAQYLSRUSA-N 406.461 3.462 0 40 HGAB NC(=O)[C@H]1CCCN(C(=O)C2(Cc3ccccc3-c3cccs3)CCOCC2)C1 257272264 NBRRJUGVDAELHR-SFHVURJKSA-N 412.555 3.478 0 40 HGAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)N[C@H](CC(C)C)c1ccccc1)O2 260577553 BUVIGWNXFIWQCS-NQIIRXRSSA-N 416.543 3.426 0 40 HGAB CC(C)[C@@H](C)NC(=O)[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1 260903900 QYBRJRLOHIMRAP-AUUYWEPGSA-N 422.934 3.457 0 40 HGAB CS(=O)(=O)N(Cc1ccc(C(=O)NC[C@@H](O)c2ccccc2)cc1)c1ccccc1 408725746 HGYPRVBMYJKQFP-JOCHJYFZSA-N 424.522 3.116 0 40 HGAB Cc1ccc(C(=O)NCc2nnc(SCC(=O)Nc3cccc(C)c3C)n2C)cc1 409346578 LLOOTGGLHTXOFZ-UHFFFAOYSA-N 423.542 3.401 0 40 HGAB C[C@H]1CCCN(C[C@H]2CC3(CCN(C(=O)Cc4ccc(N(C)C)cc4)CC3)CO2)C1 585104475 OZZNCBPKNORVDN-NZQKXSOJSA-N 413.606 3.425 0 40 HGAB CC(C)(C)[C@H]1CC[C@](O)(CN2CCOC[C@@](O)(COc3ccc(F)cc3)C2)CC1 585287807 SEVNESIAQBTRKE-YFXJRYMSSA-N 409.542 3.235 0 40 HGAB COCc1cn(C2C[C@@H]3CC[C@H](C2)N3C(=O)Cc2ccccc2Br)nn1 1888867028 AHVZGLAORLNHGC-SJPCQFCGSA-N 419.323 3.124 0 40 HGAB C[C@H]1Cc2ccccc2N1C(=O)CSc1nnc2cc(-c3ccccc3)nc(N)n12 1331492 FDAIHFRWYPTYLH-AWEZNQCLSA-N 416.510 3.443 0 40 HGAB CC(C)(C)C(=O)N1CCC(O)(CS(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 1386657 TZJJLVAVMGIXHI-UHFFFAOYSA-N 408.347 3.167 0 40 HGAB Cc1ccccc1-n1c(S)nc(O)c([C@@H]2NCCc3c2[nH]c2ccccc32)c1=O 1850070 URJSDWPFBDPTKH-IBGZPJMESA-N 404.495 3.252 0 40 HGAB biogenic CSCC[C@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)NCc1ccccc1 3376759 OKBRFXVCPKYYJM-LLLGYDHXSA-N 404.557 3.015 0 40 HGAB CCS(=O)(=O)Nc1ccc(C2=NN(C(C)=O)[C@@H](c3ccc(OC)cc3)C2)cc1 4036277 DKJSTFZMNLJJNS-HXUWFJFHSA-N 401.488 3.154 0 40 HGAB COc1ccc(C(=O)N2CC[C@H]3NC(=O)N(c4ccc(C(C)C)cc4)C(=O)[C@H]32)cc1 4260703 VZBUQRLNOUVXSL-UXHICEINSA-N 407.470 3.158 0 40 HGAB biogenic,in-vitro O=C(O)c1cccc(NC(=O)c2cccc(N3C(=O)[C@H]4[C@H]5CC[C@H](C5)[C@H]4C3=O)c2)c1 4506690 KTYNEGDZQKOLSA-QXUMQBBKSA-N 404.422 3.173 0 40 HGAB Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3cccn3-c3ccccc3)C2=O)cc1 4704802 NDHGCAXAKLLRQP-XSFVSMFZSA-N 400.438 3.317 0 40 HGAB COc1cc(C(=O)N2c3ncnn3[C@H](c3ccccc3)C[C@H]2C)cc(OC)c1OC 4732654 FZKZGIHHMZRLGZ-PBHICJAKSA-N 408.458 3.332 0 40 HGAB Cn1c(CCN2CCCC2)nc2cc(NS(=O)(=O)c3ccc(F)cc3)ccc21 5207835 JEFVHBBKZPISTA-UHFFFAOYSA-N 402.495 3.152 0 40 HGAB CCn1c(SCC(=O)N[C@H](Cc2ccccc2)C(C)=O)nnc1-c1ccccc1 5312175 QJCJMSLRDDSARN-LJQANCHMSA-N 408.527 3.374 0 40 HGAB CC(C)NC(=O)NCc1ccc(C(=O)O[C@H](C)C(=O)N2CCc3ccccc3C2)cc1 5562205 IHRZRRCFDAORNG-QGZVFWFLSA-N 423.513 3.024 0 40 HGAB CCOC(=O)c1sc(N)c(C(=O)OCC)c1COC(=O)c1cccc(C)c1O 5986830 HYRSIHBNINNAPB-UHFFFAOYSA-N 407.444 3.055 0 40 HGAB CC(C)NC(=O)COc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2)cc1Cl 6256318 BCSMABHLMLREDW-CQSZACIVSA-N 410.923 3.283 0 40 HGAB CC(=O)Oc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)cc1 6296299 KUBYBOGGOQDAAS-LICLKQGHSA-N 414.414 3.426 0 40 HGAB COc1ccccc1C(=O)NC(=O)COC(=O)/C=C/c1cccc(C(F)(F)F)c1 6421070 HLIJHADTRLHDRO-MDZDMXLPSA-N 407.344 3.227 0 40 HGAB CCn1c(SCC(=O)NC2CCCC2)nnc1[C@@H](C)NC(=O)c1ccc(C)cc1 6711068 IDHXZNYPDLUXIQ-OAHLLOKOSA-N 415.563 3.248 0 40 HGAB CC(C)Cn1c(=O)c(CCC(=O)N2C[C@H](C)O[C@@H](C)C2)nc2cc(Cl)ccc21 6757776 XSGHRDHYBDKWPX-GJZGRUSLSA-N 405.926 3.274 0 40 HGAB Cc1c(C(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)sc2ccccc12 7964333 MXPJVNNYCHCPGM-UHFFFAOYSA-N 418.515 3.496 0 40 HGAB Cc1ccc(Oc2ccc(NC(=O)C3=CC=CN4CCS(=O)(=O)N=C34)cc2)cc1 7977833 JMMKHOUWRBNPEN-UHFFFAOYSA-N 409.467 3.223 0 40 HGAB CCOC(=O)c1ccc2c(c1)nc(SCC(=O)NC(=O)NCCC(C)C)n2CC 8011592 OVORMOLIEAXLLT-UHFFFAOYSA-N 420.535 3.197 0 40 HGAB O=C(N[C@H]1CCCc2ccccc21)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 8077905 BJSMMTZNLNMROV-UTKZUKDTSA-N 416.518 3.420 0 40 HGAB CC(C)CCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(Cl)c(Cl)c1 9014918 KKPIOCNHWXOWLJ-UHFFFAOYSA-N 424.332 3.247 0 40 HGAB COC(=O)CS[C@@H](C)C(=O)Nc1nnc(-c2ccc(Br)cc2)s1 9404362 VBSUPUATWAREKE-QMMMGPOBSA-N 416.322 3.201 0 40 HGAB CCCN1C(SCC(=O)Nc2ccccc2OC)=NS(=O)(=O)c2ccccc21 9530253 OBUJQIYAKDDDSX-UHFFFAOYSA-N 419.528 3.342 0 40 HGAB COc1ccc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)cc1C(=O)NC(C)C 10009009 KHSMNBOFHFQNKZ-UHFFFAOYSA-N 400.859 3.427 0 40 HGAB Cc1cc(O)c(C(c2ccc(Br)cc2)c2c(O)cc(C)[nH]c2=O)c(=O)[nH]1 10217694 ZPAAQGWPPMRDAF-UHFFFAOYSA-N 417.259 3.034 0 40 HGAB O=C(c1ccc(F)cc1)N1CCC2(CC1)NC(=O)N(Cc1ccc(Cl)cc1)C2=O 11694084 JFWJATYWDDTCEI-UHFFFAOYSA-N 415.852 3.206 0 40 HGAB COc1cccc(N2C[C@H](c3nc4ccccc4n3CC(=O)N3CCCC3)CC2=O)c1 12062102 PUQBOAYMYGXTCB-QGZVFWFLSA-N 418.497 3.188 0 40 HGAB CN(C)CC(C)(C)CNC(=O)C1(C[C@@H]2CC(c3ccc(F)cc3)=NO2)CCOCC1 12156889 DREGAQBMOZYUKD-IBGZPJMESA-N 419.541 3.210 0 40 HGAB CCOC(=O)N1CCN(C(=O)CCS[C@H]2CCc3ccccc3N=C2O)CC1 12322594 RWDFGUUWQNCZEU-KRWDZBQOSA-N 405.520 3.013 0 40 HGAB C[C@@H](NC(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1)c1ccc(-n2ccnc2)cc1 12535091 BQFCFTZINNWRMY-NQIIRXRSSA-N 402.498 3.141 0 40 HGAB Cc1ccc(NC(=O)CN(C)CC(=O)Nc2cc3c(cc2Cl)OCCCO3)cc1 12819826 CWYWELPKBATEOL-UHFFFAOYSA-N 417.893 3.319 0 40 HGAB Cc1ccc(NC(=O)c2cc(-c3ccco3)nn2-c2ccccc2)cc1S(N)(=O)=O 12922524 QHJFKSGPVNMIKL-UHFFFAOYSA-N 422.466 3.340 0 40 HGAB C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2ccc(C(=O)O)cc2)cc1 13166942 UIBCWPQHQFISQP-AWEZNQCLSA-N 402.472 3.200 0 40 HGAB COc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1NC(=O)c1cccc(Cl)c1 13566416 OIDJCCDMSJWNPS-HNNXBMFYSA-N 424.906 3.058 0 40 HGAB Cc1cc(S(=O)(=O)N[C@@H](C)c2ccccc2)c(C)n1S(=O)(=O)c1ccccc1 13585872 OYGHDMJQRUHZJO-INIZCTEOSA-N 418.540 3.381 0 40 HGAB COc1ccc(C(=O)N2CCN(c3ccc(-c4ccc(F)cc4)nn3)CC2)c(OC)c1 13658077 LZCWONRRGWEHJV-UHFFFAOYSA-N 422.460 3.262 0 40 HGAB CCOc1ccccc1CCCNC(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O 13672772 CMCYAJSEUUUYCW-UHFFFAOYSA-N 424.950 3.254 0 40 HGAB C[C@H](NC(=O)Cc1cccc2ccccc12)C(=O)Nc1cccc(C(=O)NC2CC2)c1 14136319 DSNMOXFOYUQHRV-INIZCTEOSA-N 415.493 3.418 0 40 HGAB Cc1ccccc1CN1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 14239909 BZUXKKULAOCEOO-UHFFFAOYSA-N 415.378 3.326 0 40 HGAB Cc1ccc(C)c(S(=O)(=O)Oc2ccc(C(=O)Nc3nnc(C)s3)cc2)c1 14714808 VWMKQZUXXJVJPO-UHFFFAOYSA-N 403.485 3.483 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCC[C@@H]2CC(=O)Nc2cccc(OC)c2)cc1 15391168 UFTUEYORDAWOGS-QGZVFWFLSA-N 418.515 3.276 0 40 HGAB CCOc1ccc(-c2nonc2NC(=O)[C@H]2COc3ccccc3O2)cc1OCC 16753298 GCBYUAPZMPRRGW-GOSISDBHSA-N 411.414 3.313 0 40 HGAB COC(=O)[C@@](NC(=O)c1ccc(Cl)cc1)(Nc1nc(C)cs1)C(F)(F)F 16973811 LUJFWTUTMYVNJS-CQSZACIVSA-N 407.801 3.378 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCSCc3ccco3)CC2)cc1 17796753 IPBGKXMBNXJPMW-UHFFFAOYSA-N 422.572 3.038 0 40 HGAB CCOc1ncccc1C(=O)Nc1cc(S(=O)(=O)N(CC)CC)cc(C)c1C 18092633 YCCIIDHOVRRFMT-UHFFFAOYSA-N 405.520 3.380 0 40 HGAB c1ccc(Cn2nnnc2[C@@H](c2cccnc2)N2CCN(C3CCCCC3)CC2)cc1 19363508 PQYHSKFDBZABDY-HSZRJFAPSA-N 417.561 3.156 0 40 HGAB O=C(c1ccccc1)[C@@H]([C@@H](c1ccc(Cl)cc1)N1CCOCC1)N1CCOCC1 19365985 LQPJSIJIFALWEP-FGZHOGPDSA-N 414.933 3.297 0 40 HGAB CC(C)c1ncc(CN2CCC[C@@H](c3ncc(Cl)cc3S(C)(=O)=O)C2)cn1 19454040 PFDMLIXURWWVKZ-OAHLLOKOSA-N 408.955 3.432 0 40 HGAB CCn1ncc(-c2csc(NC(=O)c3ccc(N4C(=O)CCC4=O)cc3)n2)c1C 19524079 CWSKSZFOYZHOGN-UHFFFAOYSA-N 409.471 3.241 0 40 HGAB COc1cccc(C(=O)N2CCC(c3cc(C(F)(F)F)n4ncnc4n3)CC2)c1 19564283 LOIXLVUXKLVWNX-UHFFFAOYSA-N 405.380 3.172 0 40 HGAB COc1ccc(-c2nccnc2[C@H]2CN(CC(=O)Nc3ccc(F)cc3)CCO2)cc1 19693245 XPIZSTMEHJGVBT-HXUWFJFHSA-N 422.460 3.303 0 40 HGAB Cc1ncc(C(=O)N2CC[C@H](c3nc(N(C)C)ncc3-c3ccc(F)cc3)C2)c(C)n1 19695007 XITRYESVBUKXQK-KRWDZBQOSA-N 420.492 3.385 0 40 HGAB NC(=O)c1cncnc1CC1CCN(C(=O)c2cccc(Oc3ccccc3)c2)CC1 19756758 WVVIKGQYAHHONP-UHFFFAOYSA-N 416.481 3.463 0 40 HGAB CSCC[C@H](C(=O)Nc1cccc2cccnc12)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 21676051 IFRZJLDLUSVSHH-XYJFISCASA-N 411.527 3.470 0 40 HGAB Cc1ccc(N(CC(=O)N[C@H]2CC(C)(C)Oc3ccccc32)S(C)(=O)=O)cc1C 22329512 AIQPOZKLRNMFDC-IBGZPJMESA-N 416.543 3.488 0 40 HGAB CSCC[C@@H](NC(=O)c1ccccc1)C(=O)NCCOc1ccc(C)cc1C 23961216 JKCZUKUYPVICBZ-LJQANCHMSA-N 400.544 3.350 0 40 HGAB O=C(N[C@@H]1CCOc2ccccc21)c1ccc2c(c1)C(=O)N(Cc1ccncc1)C2=O 24646824 FSLKAZOOOCYEGM-HXUWFJFHSA-N 413.433 3.131 0 40 HGAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)C2CCN(C(=O)c3cccnc3)CC2)c1 29783289 XTUBRTFGOADXAC-NRFANRHFSA-N 423.513 3.315 0 40 HGAB COc1ccc(CCC(=O)N2CCN(C(=O)Nc3ccc(F)cc3)CC2)cc1OC 30258617 JCFJINVKLLPWPM-UHFFFAOYSA-N 415.465 3.152 0 40 HGAB O=C([C@H]1CC(=O)N(c2cccc(Cl)c2)C1)N1CCC(c2nnc3ccccn23)CC1 32795845 VZUDNDJIBJVRPL-INIZCTEOSA-N 423.904 3.142 0 40 HGAB CC[C@@H]1CCCCN1C(=O)CS(=O)(=O)Cc1cc(Cl)c2c(c1)OCCCO2 32929826 XIOLCAQWRNYGAX-OAHLLOKOSA-N 415.939 3.207 0 40 HGAB CC1CCN([C@@H](CNC(=O)C2CCN(C(=O)C3CC3)CC2)c2cccs2)CC1 33028218 NMLISWKWULQOCL-IBGZPJMESA-N 403.592 3.286 0 40 HGAB O=c1/c(=C\c2ccc(I)cc2)sc2nc3ccccc3n12 33316923 GCRWREZLFYPVDM-NTEUORMPSA-N 404.232 3.062 0 40 HGAB Cc1nnc(NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2)s1 33714830 FJYGIEZNQOJRFQ-UHFFFAOYSA-N 409.496 3.276 0 40 HGAB O=C(CSc1nnc2c(n1)[nH]c1ccc(Br)cc12)N1CCCCC1 35312612 ZEJAWHAYZXFRDA-UHFFFAOYSA-N 406.309 3.373 0 40 HGAB COc1nn(C)cc1C(=O)N(C[C@H]1CCCO1)c1nc2c(C)ccc(C)c2s1 38840308 MBKPCAIFHRMBPY-CQSZACIVSA-N 400.504 3.481 0 40 HGAB Cc1ccc(NC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cc1Cl 38849704 FXSSQKQVTWDPFW-INIZCTEOSA-N 415.298 3.468 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)c2c(C)nn(C(C)(C)C)c2C)c1 40144925 VQHVRLOQAHAHAB-UHFFFAOYSA-N 422.551 3.243 0 40 HGAB COC(=O)c1cccc(NCC(=O)Nc2ccccc2C(=O)NCc2ccccc2)c1 48326159 PAOGUXUMOUHSQC-UHFFFAOYSA-N 417.465 3.454 0 40 HGAB CCOC(=O)c1ccc(S(=O)(=O)Nc2c(C)noc2C)c(Br)c1 58377338 ADNODMSQQHSVHR-UHFFFAOYSA-N 403.254 3.031 0 40 HGAB CCn1c(SCC(=O)N[C@@H](C)c2cccc(OC)c2)nc2cc(C)[nH]c2c1=O 67299433 MQSJXKNUADBMSH-ZDUSSCGKSA-N 400.504 3.031 0 40 HGAB COC(=O)c1ccccc1NC(=O)CN1C(=O)C(c2ccccc2)=NC12CCCCC2 71327965 WHQLTALPOKJUDM-UHFFFAOYSA-N 419.481 3.404 0 40 HGAB O=C1CN(c2ccc(NC(=O)[C@@H]3C[C@@H]3c3cccc(Br)c3)cc2)CCN1 71846777 MNXSPOAQKPKDGR-QZTJIDSGSA-N 414.303 3.128 0 40 HGAB CS(=O)(=O)c1ccccc1C(=O)Nc1cccc(Oc2ccccc2C(N)=O)c1 72309382 BQIURMJAMMFHFJ-UHFFFAOYSA-N 410.451 3.234 0 40 HGAB CC[C@H](NC(=O)Cn1nnc(-c2cccc(C(=O)OC)c2)n1)c1ccc(Cl)cc1 84734050 XXFHTCQGCNQLOV-KRWDZBQOSA-N 413.865 3.048 0 40 HGAB CN1C(=O)C[C@@H](NC(=O)COc2ccc(Br)cc2)[C@@H]1c1ccc(F)cc1 89374732 DBGSDQKUGTYSOQ-APWZRJJASA-N 421.266 3.055 0 40 HGAB CC(C)CCO[C@H]1CCCC[C@H]1Nc1ccc(S(C)(=O)=O)cc1S(C)(=O)=O 89821171 NUDFZANDQRZLIO-AEFFLSMTSA-N 417.593 3.279 0 40 HGAB O=C(CCNC(=O)c1ccc(F)cc1F)N[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 96013947 PAANAIMLHGSJTM-QFBILLFUSA-N 406.404 3.260 0 40 HGAB Cc1ccc(NC(=O)c2ccc3nnc([C@@H]4CCN(Cc5cccnc5)C4)n3c2)cn1 96156207 FGVQNDOLAGJXMY-GOSISDBHSA-N 413.485 3.070 0 40 HGAB CSCC[C@H](NC(=O)c1ccccc1-n1nnnc1C)c1nc2ccccc2[nH]1 96232082 OKURGUIXCLDPMZ-KRWDZBQOSA-N 407.503 3.071 0 40 HGAB O=S(=O)(Cc1ccccc1)NC[C@H]1Cn2c(-c3ccc(Cl)cc3)cnc2CO1 96296328 XVKKBDDHJZJHFP-SFHVURJKSA-N 417.918 3.222 0 40 HGAB biogenic,in-vitro CCOC(=O)COc1ccccc1[C@@H]1C(C(=O)OCC)=CSc2[nH]c(=O)sc21 96318937 HNBBLXRQMATNFD-OAHLLOKOSA-N 421.496 3.063 0 40 HGAB CCNC(=O)COc1ccc(CNc2cccc(N3CCN(C(C)C)CC3)c2)cc1 97032359 RAROBLRJKNRSSP-UHFFFAOYSA-N 410.562 3.344 0 40 HGAB CCCn1[nH]cc/c1=N\C(=O)CN[C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1 102151403 FGFZMBWIKLVRRR-OJXDBOMFSA-N 420.492 3.173 0 40 HGAB CC(C)C[C@H](NC(=O)COc1ccc(CN(C)S(C)(=O)=O)cc1)c1ccccc1 216345708 GDQALGIAXMYDCV-NRFANRHFSA-N 418.559 3.360 0 40 HGAB CCOC(=O)[C@]1(N)[C@H](c2ccc(CC)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218566554 GSQPJTPCJRDGDB-HBFSDRIKSA-N 407.919 3.103 0 40 HGAB COC(=O)c1c(NC(=O)COc2cc(OC)cc(OC)c2)sc2c1CCCC2 218890292 SHOLAWCQCDOREO-UHFFFAOYSA-N 405.472 3.448 0 40 HGAB COc1ccc(N([C@@H](C)C(=O)NC2CCCCCCC2)S(C)(=O)=O)cc1OC 220237333 ZEFHFLHXDIVLQK-HNNXBMFYSA-N 412.552 3.087 0 40 HGAB CC[C@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CCc1ccc(OC)c(OC)c1 223004562 NHYHUJQPZWAASQ-HXUWFJFHSA-N 412.530 3.498 0 40 HGAB Cc1ccc(-c2nnc(NC(=O)CN(c3ccccc3F)S(C)(=O)=O)s2)cc1 224030086 FMAFOJRHFDAAFJ-UHFFFAOYSA-N 420.491 3.057 0 40 HGAB Cc1ccccc1N(C)S(=O)(=O)c1cccc(C(=O)Nc2ccc(C(N)=O)cc2)c1 224125674 GFNTYEZTGUKMII-UHFFFAOYSA-N 423.494 3.171 0 40 HGAB CCOc1ccccc1N(CCCC(=O)NCCc1ccc(F)cc1)S(C)(=O)=O 224698605 HUEJASPVMJURNJ-UHFFFAOYSA-N 422.522 3.130 0 40 HGAB CC[C@H](NC(=O)CN(C)S(=O)(=O)c1ccc(SC)cc1)c1ccc(OC)cc1 225788577 UZNBXMJAURQJDM-IBGZPJMESA-N 422.572 3.305 0 40 HGAB CCC[C@]1(C(=O)OC)N[C@H](c2ccc(C)cc2)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@H]21 245229607 BUKVTGGQIXTIFJ-HULNYRCFSA-N 420.509 3.465 0 40 HGAB COc1cccc(CN2[C@H]3CC[C@H]2[C@@]2(CC(=O)N(C4CCCCC4)C2=O)C(=O)C3)c1 247866279 AXCGONRKFKCMJZ-WXVUKLJWSA-N 410.514 3.079 0 40 HGAB COc1cc(CNC(=O)[C@H]2[C@@H]3[C@H]2CC[C@]32CC(=O)c3ccccc3O2)cc(OC)c1 247869431 CMVHSIXDJRAZPD-ASLXYRGWSA-N 407.466 3.380 0 40 HGAB O=C1CCCC[C@]2(CN(C(=O)Cc3ccccc3C(=O)O)C[C@H]2c2ccccc2F)N1 257277806 NZMCFDIUZUMWMQ-YADARESESA-N 424.472 3.121 0 40 HGAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)NC2CCCCCCC2)cc1Cl 408584473 QFKAGKOXRYBWSO-CYBMUJFWSA-N 402.944 3.245 0 40 HGAB O=C(COC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)Nc1cccc(C(F)(F)F)c1 409131578 YIBDZKRMNCGZSF-GFCCVEGCSA-N 424.350 3.379 0 40 HGAB CCOc1cc(C)c(/C=C2\SC(=O)N(CC(=O)NCCOC)C2=O)cc1C(C)C 409210723 MDKAHSUYVHAEBJ-WQRHYEAKSA-N 420.531 3.316 0 40 HGAB CCn1cc2nc(SCC(=O)Nc3ccccc3F)n(CC(C)C)c(=O)c2n1 1888900784 CEAMZCQOPKPIIS-UHFFFAOYSA-N 403.483 3.139 0 40 HGAB O=C(Cn1cnc2ccccc21)N1C[C@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@@H]2C1 1888904396 PAWQLEDERKIRFD-HUUCEWRRSA-N 415.419 3.045 0 40 HGAB CC(=O)N1CCC(C(=O)N2CCC(c3ccc4cc(C5CC5)cnc4n3)CC2)CC1 1890641284 XSFDRKSBEWQSSH-UHFFFAOYSA-N 406.530 3.472 0 40 HGAB O=C(c1cccc(F)c1F)N1CCC(c2cncc(=Nc3nccs3)[nH]2)CC1 2037835085 XIKKGXSVYQYIRO-UHFFFAOYSA-N 401.442 3.397 0 40 HGAB CCOC(=O)CN(C(=O)c1cc(C)n(C)n1)[C@H](C)c1cccc(Br)c1 89983706 UDFKYSMQBRNBDP-CYBMUJFWSA-N 408.296 3.258 0 40 HGAB CCOC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1cc(Br)ccc1OCC 959053 KXMJBSDMYGLJMH-OAHLLOKOSA-N 407.268 3.291 0 40 HGAB O=C(Nc1nc(-c2ccc3c(c2)OCCO3)cs1)[C@H]1CCCN(c2cnccn2)C1 29777438 GBVVGAAMMAJZRF-HNNXBMFYSA-N 423.498 3.226 0 40 HGAB O=C(NCc1cccc(Oc2ccccc2)c1)c1ccc(S(=O)(=O)NC2CC2)o1 32362882 OALXHWWYCQSRLN-UHFFFAOYSA-N 412.467 3.443 0 40 HGAB C[C@H]1C[C@H](C)CN(S(=O)(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 32755133 OHNWCFHJLKVKJA-GJZGRUSLSA-N 405.486 3.050 0 40 HGAB CCN(C)S(=O)(=O)c1csc(C(=O)Nc2cc(OC)c(Cl)cc2OC)c1 6680388 KGYOCLMOFRMPBY-UHFFFAOYSA-N 418.924 3.311 0 40 HGAB CCOC(=O)N1CCN(C(=O)C(=O)c2c(-c3ccccc3)cc3ccccn23)CC1 7604366 JBCVJOZFWWYILD-UHFFFAOYSA-N 405.454 3.090 0 40 HGAB CCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccccc2SC)c(C)c1 7604574 UWIGYAIZJTUSLQ-UHFFFAOYSA-N 408.545 3.423 0 40 HGAB CCc1ccccc1N(CC(=O)NCCCOC(C)C)S(=O)(=O)c1ccccc1 8088039 IDYQNGFLXBAYBS-UHFFFAOYSA-N 418.559 3.376 0 40 HGAB O=C1CCCc2[nH]c(=O)c(C(=O)N3CCN(Cc4cccc5ccccc45)CC3)cc21 29964038 CHJIQQCVZOCCNX-UHFFFAOYSA-N 415.493 3.005 0 40 HGAB COc1ccc(-c2cc(NC(=O)c3ccc(S(N)(=O)=O)cc3)ccc2OC)cc1 8750022 HFOLOHBOIRFMRJ-UHFFFAOYSA-N 412.467 3.271 0 40 HGAB COCCNS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)c(F)c1 8810498 RDXZXOZNYNWLAT-UHFFFAOYSA-N 421.277 3.310 0 40 HGAB O=C(CSc1ncnc2sccc12)OCCCn1c(=O)[nH]c2ccccc21 8946022 BGZHKMGDILXIOI-UHFFFAOYSA-N 400.485 3.060 0 40 HGAB O=C1OCc2cc(-c3ccc(/C=c4/sc5nc6ccccc6n5c4=O)o3)ccc21 22022913 RITFNTYQMFXKKF-VXLYETTFSA-N 400.415 3.387 0 40 HGAB COCCn1nnnc1[C@H](CC(C)C)N1CCN(c2cc(Cl)ccc2C)CC1 57670076 KUANIWDAXIUJFE-IBGZPJMESA-N 406.962 3.191 0 40 HGAB CC(=O)c1ccc(N2CCN(C[C@@H](O)COCC3=CC[C@H]4C[C@@H]3C4(C)C)CC2)cc1 25562825 LQYFQQZOGBCADR-QTJGBDASSA-N 412.574 3.381 0 40 HGAB CC[C@@H](Oc1cc(Cl)ccc1Cl)C(=O)NN1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1=O 20572962 GXXDUYNDEJDOHA-FFBJCKDISA-N 411.285 3.213 0 40 HGAB CC[C@H](C)NC(=O)c1ccccc1NS(=O)(=O)c1cc(C(=O)OC)ccc1Cl 26533768 WYWGEEHWELOFHA-LBPRGKRZSA-N 424.906 3.456 0 40 HGAB O=C(c1cccs1)N1CCC[C@@H](C(=O)N2CCN(c3ccccc3F)CC2)C1 12544999 QINQGKHVRBLSQS-MRXNPFEDSA-N 401.507 3.088 0 40 HGAB CCNS(=O)(=O)c1cc(C(=O)N[C@H](C)c2ccc(SC)cc2)ccc1OC 20024913 PRYYYZWFFQNYED-CYBMUJFWSA-N 408.545 3.206 0 40 HGAB O=C(CN1CCN(C(=O)/C=C/c2cccc(F)c2)CC1)Nc1ccccc1Cl 57442369 IYURINBYVWNPMM-CMDGGOBGSA-N 401.869 3.275 0 40 HGAB Cc1ccc(S(=O)(=O)Nc2cc(C(=O)Nc3ccccc3C(N)=O)ccc2C)cc1 10313843 TZXSMVTXNIXPRT-UHFFFAOYSA-N 423.494 3.455 0 40 HGAB Cc1ccccc1CS(=O)(=O)c1nnc(NC(=O)COc2ccccc2C)s1 27664118 JYXBJFIEUOFXRD-UHFFFAOYSA-N 417.512 3.146 0 40 HGAB O=C(CONC(=O)c1cccc(C(F)(F)F)c1)Nc1ccc2c(c1)OCCCO2 58202249 FEXWFXMSRHTWSO-UHFFFAOYSA-N 410.348 3.167 0 40 HGAB O=C(c1ccc(F)cc1)N1CCCc2cc(S(=O)(=O)NCc3ccco3)ccc21 20766717 WZBZNPVUGZNUJF-UHFFFAOYSA-N 414.458 3.490 0 40 HGAB Cc1ccc2[nH]cc(CCNC(=O)[C@@H]3CC(=O)N(CCc4ccc(F)cc4)C3)c2c1 20407620 HGFFMFARNJBLIC-LJQANCHMSA-N 407.489 3.365 0 40 HGAB O=C(COC(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O)NCCc1cccs1 11157279 DZAAZXWJPHCDAY-OAHLLOKOSA-N 424.931 3.107 0 40 HGAB COc1ccc([C@@H]2C[C@@H](c3ccc(F)cc3)n3nc(N4C(=O)CCC4=O)nc3N2)cc1 2427299 YYELQKKSGFZIGL-ROUUACIJSA-N 421.432 3.226 0 40 HGAB COc1ccc([C@H]2CCCN2C(=O)CNC(=O)c2ccccc2Cl)c(OC)c1 12786326 DUVOFWHFLWJSBK-GOSISDBHSA-N 402.878 3.451 0 40 HGAB Cc1cc(N2CCN(CC(=O)Nc3cc(Cl)ccc3F)CC2)nc(C(C)C)n1 12783139 WZPADHITXRMXAP-UHFFFAOYSA-N 405.905 3.462 0 40 HGAB Cc1cccc(O[C@H](C)C(=O)N(Cc2nc3ccccc3c(=O)[nH]2)C[C@H]2CCCO2)c1 12765491 FSZVJKORMXTIRN-IEBWSBKVSA-N 421.497 3.207 0 40 HGAB COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc(OC(F)(F)F)cc1 12777267 LPWZQDATVLTXSK-UHFFFAOYSA-N 421.375 3.111 0 40 HGAB COc1ccc(Cl)cc1NC(=O)CN1C(=O)N[C@@](C)(c2ccccc2Cl)C1=O 3593761 VKYNAEVNVWWEHS-IBGZPJMESA-N 422.268 3.408 0 40 HGAB COc1ccc(-n2nnnc2SCC(=O)c2cc(C)n(-c3cc(C)on3)c2C)cc1 3501865 UHVHWRUGTYBRTE-UHFFFAOYSA-N 424.486 3.350 0 40 HGAB CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@H]2CCCc3ccccc32)c1 13012770 CXKRIBXBXOZTNZ-OAHLLOKOSA-N 406.935 3.440 0 40 HGAB COc1ccc(OCCN2C(=O)N[C@@](C)(c3cccc(Br)c3)C2=O)cc1 13141170 QQVFVHYPRDIIKK-IBGZPJMESA-N 419.275 3.304 0 40 HGAB COc1ccc(NC(=O)C2=C(C)Nc3nc(CCCO)nn3[C@@H]2c2ccccc2)cc1 4144424 QFEAMHXXUMJESO-OAQYLSRUSA-N 419.485 3.139 0 40 HGAB O=S(=O)(c1ccc(Br)s1)N1CCN(c2ccccc2F)CC1 5030393 QXQCUJHFKTVHRY-UHFFFAOYSA-N 405.314 3.161 0 40 HGAB O=C(COc1cccc2cccnc12)Nc1cccc(S(=O)(=O)N2CCCC2)c1 6127998 ZZEOLLKQENTHJA-UHFFFAOYSA-N 411.483 3.037 0 40 HGAB O=C(CN1C(=O)CC2(CCCC2)C1=O)N1CCC[C@H](c2nc3ccccc3s2)C1 14199749 OPPIAUUIXRHIOR-HNNXBMFYSA-N 411.527 3.322 0 40 HGAB CCn1c(SCC(=O)Nc2cccc(N3CCCC3=O)c2)nnc1-c1ccco1 6988199 GZBXJFWLJIJVRF-UHFFFAOYSA-N 411.487 3.416 0 40 HGAB CCN(CC)Cc1ccc(CNS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 15359644 OJILQBNBHVXXLO-UHFFFAOYSA-N 404.532 3.168 0 40 HGAB Cc1ccc(F)cc1-n1ccn(CC(=O)Nc2ccc(C(F)(F)F)cc2)c(=O)c1=O 67320433 MFRUXRUMCBBMDE-UHFFFAOYSA-N 421.350 3.104 0 40 HGAB COc1ccc(NC(=O)[C@@H](C)OC(=O)CSc2ccc3c(c2)OCCO3)cc1 7631899 MAJAJIRGQDMSQU-CYBMUJFWSA-N 403.456 3.129 0 40 HGAB COC(=O)c1nc(NC(=O)[C@H]2CCCN(c3nc(C)cc(C)n3)C2)sc1C(C)C 79484366 FTUVPVUCXVVZBS-AWEZNQCLSA-N 417.535 3.315 0 40 HGAB CCN(CC(=O)NCc1cccs1)C(=O)Cn1c(C(F)(F)F)nc2ccccc21 9125499 NLPFJDBYTKYZMP-UHFFFAOYSA-N 424.448 3.282 0 40 HGAB COc1ccccc1OCCCN1C(=O)[C@@](O)(CC(C)=O)c2cc(Cl)ccc21 9319532 VSZSNTZFCRXCBR-OAQYLSRUSA-N 403.862 3.331 0 40 HGAB O=C(COC(=O)c1ccccc1I)N[C@H]1CCc2ccccc21 72330002 RYURYEXXYADJLU-INIZCTEOSA-N 421.234 3.252 0 40 HGAB CC(C)OC(=O)[C@@H](C)CNC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl 84621811 ONOMAMABXUBCMP-LRDDRELGSA-N 415.317 3.302 0 40 HGAB O=C(CCc1ccccc1Br)NC[C@H]1C[C@H](O)CN1Cc1ccccc1 95444994 NFWBWQJZRLZGPZ-MOPGFXCFSA-N 417.347 3.133 0 40 HGAB C[C@@](O)(CNc1ccc2cc(Br)cc(Cl)c2n1)CN1CCOCC1 95988686 BLXWHZRYENFKQH-QGZVFWFLSA-N 414.731 3.146 0 40 HGAB CCn1cc(S(=O)(=O)N(C)c2nc3c(s2)C[C@@H](c2ccccc2)CC3)cn1 89309877 OCEPTDJHPRPSED-HNNXBMFYSA-N 402.545 3.457 0 40 HGAB Cc1cccc(C(=O)N(CCO)CCCN2C(=O)c3cccc4cccc(c34)C2=O)c1 409377084 GEQZZWSTBDMIQM-UHFFFAOYSA-N 416.477 3.269 0 40 HGAB COC(=O)C(=Cc1ccc(OCC(=O)Nc2cccc(C)c2)c(Cl)c1)C(=O)OC 409047469 NXTHVCDFNIBUMI-UHFFFAOYSA-N 417.845 3.395 0 40 HGAB CCS(=O)(=O)N(C)c1cc(OC)c(OC)cc1C(=O)Nc1c(C)cccc1C 22252619 DYZRYGOESNZKBQ-UHFFFAOYSA-N 406.504 3.359 0 40 HGAB CC1(C)C[C@H](NC(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)c2ccccc2O1 22335550 YDNMWOITJYPJIR-KRWDZBQOSA-N 406.479 3.010 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N[C@H](C)CCc2ccccc2)cc1 408600669 BVXVAPPCTAHJJS-GOSISDBHSA-N 418.559 3.233 0 40 HGAB COc1ncccc1NC(=O)c1nc(-c2ccnn2C2CCCC2)n2ccncc12 306144623 ZKJBNTVAMWQRLF-UHFFFAOYSA-N 403.446 3.364 0 40 HGAB Cc1nc(C(=O)N2Cc3cn(Cc4cccnc4)nc3-c3ccn(C)c3C2)cs1 306126432 DVRVAMZDHNQAHU-UHFFFAOYSA-N 404.499 3.253 0 40 HGAB Cc1nn(-c2ccccc2)c2sc(C(=O)N3C[C@H](C(N)=O)Oc4ccccc43)cc12 32986181 SUEYYSLSGICTJD-GOSISDBHSA-N 418.478 3.289 0 40 HGAB CC1CCN(C(=O)Cn2c(SCC(=O)NC3CCCC3)nc3ccccc32)CC1 35312095 AXCZGZWPJLZTRV-UHFFFAOYSA-N 414.575 3.446 0 40 HGAB Cc1ccc(N2CN(CCO)Cn3c2nc(C)c(Cc2ccccc2)c3=O)cc1C 38830146 LGZYKDKDNWZGQA-UHFFFAOYSA-N 404.514 3.120 0 40 HGAB O=S(=O)(c1ccc(F)cc1)c1cnc2cc(F)ccc2c1N1CCC[C@@H]1CO 71775314 YUJWPCMYBRNXBU-OAHLLOKOSA-N 404.438 3.307 0 40 HGAB CC[C@@H](C(=O)NCCOc1ccc(C)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O 219092593 AFAJHDMXZZQPQY-IBGZPJMESA-N 424.950 3.388 0 40 HGAB Cn1cc(-c2ccncc2)c(-c2ccc(CNC(=O)COC[C@@H]3CCCCO3)cc2)n1 72344965 VHGAMZPXDUTFDR-NRFANRHFSA-N 420.513 3.351 0 40 HGAB COc1cc(C)c(S(=O)(=O)NCc2nc(-c3cccc(Cl)c3)no2)c(C)c1 225073793 RUEFXONZUYKTER-UHFFFAOYSA-N 407.879 3.494 0 40 HGAB COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccncc1 223714525 QJFGOURJGYBVGF-RTWAWAEBSA-N 421.526 3.193 0 40 HGAB COc1cc(OC)cc(C(=O)N2CCS/C2=C/c2cnc(SC)nc2OC)c1 225239370 DOBGHXQRGYCFOX-CXUHLZMHSA-N 419.528 3.412 0 40 HGAB CC[C@H](C(=O)NCCCc1cccc(OC)c1)N(c1ccccc1F)S(C)(=O)=O 220601503 PAVQSXQLYPJWNL-LJQANCHMSA-N 422.522 3.128 0 40 HGAB CC[C@@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC(=O)O 224537898 BVPMIIMLKAWZFO-SZNDQCEHSA-N 410.470 3.141 0 40 HGAB COc1cccc(CN2C[C@@H]3Oc4ccc(C(F)(F)F)cc4C(=O)N(C)[C@@H]3C2)c1 514288689 SJCNWMMFYLWIGE-MJGOQNOKSA-N 406.404 3.431 0 40 HGAB biogenic,in-vitro COc1ccc(NC(=O)[C@@H]2Oc3c(c(=O)oc4ccccc34)[C@@H]2c2cnn(C)c2)cc1 96115386 AYFMTDZYYFTSKZ-GHTZIAJQSA-N 417.421 3.067 0 40 HGAB biogenic O=C(NCc1ccccc1)c1cn(-c2nc(CNc3cccnc3)c3ccccn23)cn1 96267084 USXBKJIRKWFNSX-UHFFFAOYSA-N 423.480 3.457 0 40 HGAB Cn1nc(C(=O)N2CCCN(c3cc(-c4ccccc4)n[nH]3)CC2)c2ccccc21 98211531 XJZFBWBBQMBOCJ-UHFFFAOYSA-N 400.486 3.316 0 40 HGAB O=C(NCC1CC1)[C@@H]1CCC2(CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)O1 96087260 TXNSXIITCIELPK-KRWDZBQOSA-N 410.436 3.385 0 40 HGAB Cc1cc(Cc2ccccc2)cc([C@H]2CN(Cc3cnc(N(C)C)nc3)CCO2)n1 257227432 FPGOMTPGRKXJEW-HSZRJFAPSA-N 403.530 3.410 0 40 HGAB Cc1cccc(C(=O)NC[C@]2(c3ccccc3)CC[C@@H](O)[C@H](N3CCOCC3)CC2)c1 257299763 RRNGLACMHJPBHJ-DGWZTRNLSA-N 422.569 3.299 0 40 HGAB CO[C@H]1CC[C@H](C(=O)N2CCC[C@H]2C(=O)c2cnn(-c3ccc(C)cc3)c2N)CC1 257279887 OIOGGBCIBMICTG-QRFRQXIXSA-N 410.518 3.142 0 40 HGAB Cc1ccc2c(c1)O[C@H](C(=O)N[C@H](C)C(C)C)CN2S(=O)(=O)c1ccccc1 260908022 WHOWSNVBTDQYOO-UZLBHIALSA-N 402.516 3.112 0 40 HGAB O=C1COc2ccc(S(=O)(=O)N3CC[C@@H](C(F)(F)F)c4ccccc43)cc2N1 644950584 ZAAMHMMGZLXLFY-CYBMUJFWSA-N 412.389 3.262 0 40 HGAB Cc1cnc(Nc2cccc([C@@]3(CO)CN(C(=O)OC(C)(C)C)CCO3)n2)s1 585262538 DLKXWIPDNKJYPN-IBGZPJMESA-N 406.508 3.045 0 40 HGAB Cc1nc(Nc2ncccc2C)cc([C@H]2CCCN2C(=O)/C=C/c2cnn(C)c2)n1 585290472 BPJTUTZKKVQMJK-CSHXORCISA-N 403.490 3.342 0 40 HGAB CC(C)(C)CC(=O)N1CCN2CC(=O)Nc3cc(-c4cccnc4)ccc3OC[C@@H]2C1 1772594628 RABWCEOLAMEVPH-IBGZPJMESA-N 422.529 3.029 0 40 HGAB CCOC(=O)C(=O)Nc1sc(C(=O)Nc2cccc(C)c2C)c(C)c1C(=O)OC 5007047 XSFHAQDSBGDAAT-UHFFFAOYSA-N 418.471 3.214 0 40 HGAB O=C(CSc1nnc(Cc2ccccc2)n1-c1ccccc1)NC[C@H]1CCCO1 12105337 GWLILFSAWGVWLO-LJQANCHMSA-N 408.527 3.245 0 40 HGAB Cc1cc2c(s1)c1cnn(CC(=O)NC(C)C)c(=O)c1n2Cc1ccc(F)cc1 12113548 YPDVZVUUANOFCE-UHFFFAOYSA-N 412.490 3.433 0 40 HGAB CCOc1ccc([C@@H](C)NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1OCC 13612279 REOLBKRLRNHMEJ-CQSZACIVSA-N 407.488 3.295 0 40 HGAB Cn1cc(CCC(=O)N2CCO[C@@H](c3nc(-c4cccnc4)no3)C2)c2ccccc21 19290420 JSWSCHXAGJUYLN-HXUWFJFHSA-N 417.469 3.156 0 40 HGAB CC[C@@H](CN1CCN(C)CC1)NC(=O)Cc1sc(C)nc1-c1ccc(Cl)cc1 19371485 OKUPMROKRLFUII-SFHVURJKSA-N 421.010 3.457 0 40 HGAB CC(C)c1ccccc1OCC(=O)N1CC[C@H](c2cc(=O)[nH]c(-c3ccncc3)n2)C1 19453356 PURCLSUKKGTILD-SFHVURJKSA-N 418.497 3.350 0 40 HGAB C[C@@H](CCC(=O)N[C@@H](c1ccc(Cl)cc1)c1cccnc1)N1CCN(C)CC1 19455584 BGEWVEZQVKTWKK-JTSKRJEESA-N 400.954 3.357 0 40 HGAB COc1ccc(-c2nnc3n2[C@H]2CCCC[C@@H]2N(C(=O)c2ccncc2)C3)cc1OC 19561704 KKNLUGNMMUPEAH-ROUUACIJSA-N 419.485 3.497 0 40 HGAB Cc1cc(C)cc(C2(CNC(=O)c3ccc(Cn4cncn4)cc3)CCOCC2)c1 19569590 NFTQULKVKGGJSQ-UHFFFAOYSA-N 404.514 3.421 0 40 HGAB COc1cc(OC)c(C(=O)N2CCO[C@H](c3cc4ccccc4cn3)C2)cc1OC 19594949 FXPZIBYWHXDNOC-QFIPXVFZSA-N 408.454 3.474 0 40 HGAB O=C(CCn1ncc2c1CCCC2)N1CCC(c2ccc(-c3cncnc3)cn2)CC1 19688114 NWWIAOZTFUWQPJ-UHFFFAOYSA-N 416.529 3.410 0 40 HGAB O=C(CN1CC[C@@H](c2cc(COc3ccc(F)cc3)[nH]n2)C1)NC1CCCCC1 19738945 GVVKIYPGIWDSOI-MRXNPFEDSA-N 400.498 3.366 0 40 HGAB COc1ccc(NC(=O)c2ccccc2N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)c(OC)c1 165724122 LMFCXAMKHILAID-FJAKRLOMSA-N 418.449 3.268 0 40 HGAB COc1cccc(-n2cnnc2SCC(=O)Nc2ccc3c(c2)OCCCO3)c1 4843581 USMVBADBPKEHRW-UHFFFAOYSA-N 412.471 3.168 0 40 HGAB Cc1ccccc1-c1ccc(N2CCN(Cc3nnc(C4CCOCC4)o3)CC2)nn1 1888906515 FPSNXXHIBLSVPA-UHFFFAOYSA-N 420.517 3.051 0 40 HGAB Cn1c(=O)n(CCC(=O)Nc2cc3c(cc2Cl)OCCCO3)c2ccccc21 14800956 QRIVNQZUHFGDKI-UHFFFAOYSA-N 401.850 3.184 0 40 HGAB COc1ccc(Cn2c(=O)c3cccnc3n(Cc3ccc(C)cc3C)c2=O)cc1 5055083 VAVULSVKLMUSOM-UHFFFAOYSA-N 401.466 3.280 0 40 HGAB CCOc1ccc(NC(=O)CSc2nnc3ccc(-c4cccnc4)nn23)cc1 5168435 NNFRGKCUKJHWCR-UHFFFAOYSA-N 406.471 3.316 0 40 HGAB CC[C@@H](C)n1c(C)c(C)n2c3c(=O)n(CCCc4ccccc4)c(=O)n(C)c3nc12 10104278 JPWFAIBPHKHKDC-OAHLLOKOSA-N 407.518 3.370 0 40 HGAB COc1ccc(OC)c(S(=O)(=O)NC[C@@H](c2cccc3ccccc23)N(C)C)c1 10335636 ZMTPGVAMZRYBAA-FQEVSTJZSA-N 414.527 3.438 0 40 HGAB COc1ccc2nc(-c3ccc(OC)c(NC(=O)COc4ccccc4)c3)cn2n1 11693442 OHNUEWGDYVYLAY-UHFFFAOYSA-N 404.426 3.431 0 40 HGAB COc1ccc(N2C[C@@H](C(=O)Nc3c4c(nn3-c3ccccc3)CCC4)CC2=O)cc1 23056224 SWZUIQVSOQCEFS-INIZCTEOSA-N 416.481 3.361 0 40 HGAB CO[C@@H]1C[C@@H](O)[C@H](O)[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)O1 36454407 FXSGDUKYGQQTFV-NGSHPTGOSA-N 420.505 3.478 0 40 HGAB CC(=O)Oc1ccc(C(=O)OCC(=O)NCCc2ccc(Cl)cc2Cl)cc1 21140273 MKIUHABTDYSUOH-UHFFFAOYSA-N 410.253 3.434 0 40 HGAB O=C(Cc1ccc(Br)cc1)N(Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 40160026 RABAOSIPAYTNAU-SFHVURJKSA-N 422.344 3.208 0 40 HGAB COc1ccccc1NC(=O)Cn1c(=O)cc(C(=O)N2CCCCC2)c2ccccc21 46081256 RIXSGDWGSRWSOP-UHFFFAOYSA-N 419.481 3.275 0 40 HGAB COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)C)N3CCC(C)CC3)cc2c1 782623 ROTRNZATVRRSLT-IBGZPJMESA-N 410.522 3.100 0 40 HGAB COc1cccc([C@@H]2C(C(=O)Nc3ccc(OC)cc3OC)=C(C)Nc3ncnn32)c1 4937631 MRVNKNYUZYMIKY-HXUWFJFHSA-N 421.457 3.232 0 40 HGAB COc1ccc(Cl)cc1NC(=O)COC(=O)[C@H]1CC(=O)N(c2ccc(C)cc2)C1 6081759 PPFBFICDGHVJGR-AWEZNQCLSA-N 416.861 3.192 0 40 HGAB CCCCNC(=O)COc1ccc(S(=O)(=O)NCc2ccccc2)cc1Cl 6648511 GKTNSZKRCWVBCS-UHFFFAOYSA-N 410.923 3.114 0 40 HGAB CCOC(=O)c1cccc(NC(=O)CN(c2cccc(Cl)c2C)S(C)(=O)=O)c1 10441076 XZOQVJDYMFEXQJ-UHFFFAOYSA-N 424.906 3.230 0 40 HGAB CCOc1ccccc1-n1nnnc1SCC(=O)N(C)Cc1ccc(C)cc1C 8133037 QGGZLIJPQZICRS-UHFFFAOYSA-N 411.531 3.429 0 40 HGAB CN(CCc1ccccn1)C[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)Nc1ccccc1 8636210 GFORPQQHOLUSLE-SXWKCWPCSA-N 407.562 3.088 0 40 HGAB biogenic,in-vitro Cc1cc(Br)cc(Br)c1OCC(=O)NC[C@@H]1CCCO1 674414 MAAFKGKRXHFXDY-NSHDSACASA-N 407.102 3.194 0 40 HGAB C[C@@H](OC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)C(=O)NC1CCCC1 9182634 XCBDORNRGXEFIU-ZBFHGGJFSA-N 406.910 3.183 0 40 HGAB O=C(CSc1nc2ccccc2c(=O)n1Cc1ccccc1)NCc1ccco1 2970171 OMMUUESVHIDHBB-UHFFFAOYSA-N 405.479 3.446 0 40 HGAB C[C@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CN(C)Cc1cnn(Cc3ccccc3)c1)C2=O 23761668 FOJJNTRBGAQTTR-UUOWRZLLSA-N 423.561 3.458 0 40 HGAB O=C(CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)Nc1cccc(NC(=O)c2cccs2)c1 24030986 DDNGHWYWTGKHAI-IRXDYDNUSA-N 423.494 3.280 0 40 HGAB Cc1nc2ccccc2n1CCNC(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1 24382154 PGVRAVFPSPFYKM-UHFFFAOYSA-N 423.494 3.342 0 40 HGAB O=C(CCN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O)NCC1(c2ccccc2F)CCCC1 100774012 GZEOZVIYKOQQFO-LRGYGIHKSA-N 412.505 3.175 0 40 HGAB COCCn1c(SCC(=O)N2CCCc3ccccc32)nc2ccsc2c1=O 57425687 OQGMQWCWONZAAV-UHFFFAOYSA-N 415.540 3.176 0 40 HGAB O=C(COc1ccccc1Br)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1 10238599 VHWQYBCRYPKBSU-OAHLLOKOSA-N 424.316 3.048 0 40 HGAB COc1ccc(C(=O)N(Cc2ccc(C)cc2)[C@H]2CCS(=O)(=O)C2)cc1Cl 27740497 YLJGLSJDLAEADC-KRWDZBQOSA-N 407.919 3.487 0 40 HGAB COc1ccc(OCc2nnc3sc(Cc4ccc(OC)c(OC)c4)nn23)cc1 10312312 RFWUWZNIUDZALE-UHFFFAOYSA-N 412.471 3.381 0 40 HGAB Cc1nn(-c2ccccc2Cl)c2sc(C(=O)NCC(=O)N3CCCC3)cc12 25064106 KTWVJCMNYNTZEW-UHFFFAOYSA-N 402.907 3.401 0 40 HGAB O=C(CN(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1)Nc1ccc(Cl)c(Cl)c1 10833686 ZYPJEIWMINACLT-CYBMUJFWSA-N 417.314 3.214 0 40 HGAB COCCCN1CN(S(=O)(=O)c2ccc(Cl)cc2)c2nc3ccccc3nc21 2343705 CNZWBDIOQLKZTQ-UHFFFAOYSA-N 418.906 3.293 0 40 HGAB CC[C@H]1CN(C(=O)OCc2ccccc2)[C@H](CC)CN1C(=O)CCc1cnn(C)c1 78869540 NWXUMNLFIOQFLJ-LEWJYISDSA-N 412.534 3.391 0 40 HGAB CC[C@](C)(C(=O)NC1CCCC1)N(C[C@@H]1CCCO1)C(=O)c1ccc2c(c1)OCO2 2457396 MEEKJTGSRXDPEW-FDDCHVKYSA-N 416.518 3.264 0 40 HGAB O=C(O)CN(c1ccc(F)cc1F)S(=O)(=O)c1ccc(Br)cc1 113885317 FCORACQMOUIXBU-UHFFFAOYSA-N 406.204 3.007 0 40 HGAB CCOC(=O)c1cnn(-c2ccc(NC(=O)c3cnn(C)c3)cc2)c1C(F)(F)F 36764307 WJXYHEOATDWXHO-UHFFFAOYSA-N 407.352 3.054 0 40 HGAB O=C(Cn1c(=O)n2nc(-c3ccccc3)nc2c2ccccc21)NCc1ccccc1 62639788 GWQGQFWRRJGVAE-UHFFFAOYSA-N 409.449 3.028 0 40 HGAB O=C(N[C@@H](NC(=S)Nc1ccccc1O)C(Cl)(Cl)Cl)c1ccco1 8683131 SAWAEFODFFUBQX-LBPRGKRZSA-N 408.694 3.398 0 40 HGAB CCCN(Cn1nc(-c2ccccc2Cl)n(C)c1=S)[C@@H]1CCS(=O)(=O)C1 12921609 SBYSBWSRFVSOSS-CYBMUJFWSA-N 414.984 3.128 0 40 HGAB CC1CCC2(CC1)NC(=O)N(CC(=O)N(C)Cc1ccc(C(F)(F)F)cc1)C2=O 12912875 GERYOYJMJMGIDP-UHFFFAOYSA-N 411.424 3.165 0 40 HGAB CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)N(C)Cc1ccc(SC)cc1 13016375 CWYNASLPYMNLSZ-HSZRJFAPSA-N 423.538 3.366 0 40 HGAB CC1=C(C(N)=O)[C@@H](c2cccnc2)n2nc(SCc3ccccc3Cl)nc2N1 13123629 WFYYBKGVBQXLER-MRXNPFEDSA-N 412.906 3.393 0 40 HGAB Cc1ccc(NC(=O)CN2CCCN(Cc3ccccc3Cl)S2(=O)=O)c(C)c1 8594254 PYNDHNKCSKHIBP-UHFFFAOYSA-N 421.950 3.348 0 40 HGAB Cc1ccc(S(=O)(=O)c2nnn3c2nc(N2CCCCC2)c2sccc23)cc1 8589279 IMUXKDHKIMSGHL-UHFFFAOYSA-N 413.528 3.471 0 40 HGAB O=C(O)[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 4173387 YTZQVNLKYKSHMT-ACESQOTJSA-N 416.521 3.443 0 40 HGAB COc1cc2c(cc1NC(=O)C(=O)NC[C@H](O)c1ccccc1)oc1ccccc12 13655892 VPSSZELNTPBCFU-SFHVURJKSA-N 404.422 3.383 0 40 HGAB CC1(C)O[C@@H]2O[C@@H](C(=O)Nc3ccccc3C(F)(F)F)[C@@H]3OC(C)(C)O[C@H]3[C@H]2O1 4393239 GSQCRPFGOPNVJK-PAURTPPISA-N 417.380 3.040 0 40 HGAB CCOc1cc(/C=C2\N=C(c3ccccc3)OC2=O)cc(Cl)c1OS(C)(=O)=O 8722145 DDNIJGNLVMTZMS-GDNBJRDFSA-N 421.858 3.422 0 40 HGAB COC(=O)c1c(NC(=O)c2nn(-c3ccc(C)cc3)ccc2=O)sc2c1CCC2 8868389 DMHYVFBHSVNICM-UHFFFAOYSA-N 409.467 3.130 0 40 HGAB COc1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(OC)c3)C(=O)N2C(C)C)cc1 4699917 IYOXIZMQLSXVRY-IBGZPJMESA-N 411.458 3.278 0 40 HGAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COc1ccccc1C(C)C 5615561 JTPPHSPLLMFWJA-UHFFFAOYSA-N 406.504 3.086 0 40 HGAB COc1c(Br)c([C@@H]2ON=C(CO)[C@H]2C)c(Br)c2c1OCO2 15085867 XNTSHSRZVGLOGX-GPXNAGAYSA-N 423.057 3.005 0 40 HGAB Cc1nnnn1/C(=C\c1ccccc1)C(=O)N[C@H](c1nc2ccccc2[nH]1)C(C)C 5901409 OMUWGYDYDLBHMT-DTBYZMGXSA-N 401.474 3.369 0 40 HGAB COc1ccc(NC(C)=O)cc1S(=O)(=O)N1CCCCC[C@H]1c1cccn1C 8187325 QIMIKUDEOWOKTC-SFHVURJKSA-N 405.520 3.298 0 40 HGAB COc1ccc([C@@H]2Nn3c(C)nnc3S[C@@H]2C(=O)N2CCCCCC2)cc1Cl 9238641 UGCLOMRSUCRECM-IRXDYDNUSA-N 421.954 3.410 0 40 HGAB Cc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccccc3Cl)CC2=O)c(C)c1 408661842 OPETXXQOCHKPRF-HNNXBMFYSA-N 400.862 3.492 0 40 HGAB C[C@H](NC(=O)Nc1cc(C2CC2)nn1[C@@H]1CCS(=O)(=O)C1)c1ccc(F)c(F)c1 79015027 JFQWGJUYXSWXLK-SMDDNHRTSA-N 424.473 3.281 0 40 HGAB COCCn1cc(C(=O)NC2CCN(Cc3ccccc3)CC2)c2ccccc2c1=O 72401723 UMGMEZFFVZFCFZ-UHFFFAOYSA-N 419.525 3.042 0 40 HGAB CN(Cc1ccc(/C=C/C(=O)Nc2cccc(C(F)(F)F)c2)o1)S(C)(=O)=O 20449949 HDSOJQPNAJWZEK-CMDGGOBGSA-N 402.394 3.342 0 40 HGAB CS[C@H]1CN(C(=O)Cc2csc(COc3ccc(C)cc3)n2)C[C@H]1N(C)C 89637019 JBAUFOGDFHFJDL-MSOLQXFVSA-N 405.589 3.077 0 40 HGAB COC(=O)c1ccc(C)c(NC(=O)CCCN(c2cccc(C)c2)S(C)(=O)=O)c1 408679805 LNIQPQBTUKMTMS-UHFFFAOYSA-N 418.515 3.275 0 40 HGAB CCOC(=O)COc1ccc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 409221416 PYLMFDLAYOSWKA-GZTJUZNOSA-N 400.818 3.379 0 40 HGAB Cc1ccc(CN2CCO[C@@H](Cn3nnc4c(Nc5ccccc5)ncnc43)C2)s1 306123681 ATUZZGKOHVFZSE-QGZVFWFLSA-N 421.530 3.236 0 40 HGAB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(-c2ccc(C(=O)OC)cc2)o1 408603738 GZRLMGWLUKZQEZ-KRWDZBQOSA-N 400.456 3.089 0 40 HGAB CNC(=S)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1cc2cc(C)ccc2[nH]c1=O 35313555 VHVLMOXZJDRLOJ-OAQYLSRUSA-N 423.538 3.306 0 40 HGAB CCCOc1c(C(N)=O)cn(C)c1-c1nc2cc(NC(=O)c3ccco3)ccc2n1C 36370081 TVXBGSPKTBUSLN-UHFFFAOYSA-N 421.457 3.312 0 40 HGAB biogenic Cc1ccc2nc(NC(=O)CN3C(=O)N[C@]4(C[C@H](C)CC(C)(C)C4)C3=O)sc2n1 1538103288 MOQYJVXSPOSBQU-GIPWTMENSA-N 415.519 3.075 0 40 HGAB COCCNC(=O)c1sc2ccccc2c1[C@H]1CCN(C(=O)c2cnc(C)cn2)C1 72352420 ZTJNWTWABVEROT-HNNXBMFYSA-N 424.526 3.006 0 40 HGAB O=C(NCc1ccncc1)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1 30866957 VQDSKYQQAROWQG-UHFFFAOYSA-N 401.875 3.466 0 40 HGAB O=S(=O)(c1cccc(F)c1)c1cnc2c(F)cccc2c1N1CCC[C@@H]1CO 71775273 YAJBSUBZOMOMRS-CQSZACIVSA-N 404.438 3.307 0 40 HGAB Cc1cc(-c2cnc(N)nc2)cc([C@H]2CCCN(C(=O)CC3(O)CCCCC3)C2)n1 72353716 WAVJWCULRPTQGS-KRWDZBQOSA-N 409.534 3.221 0 40 HGAB Cc1cc(C)nc(Nc2cncc([C@@H]3CCCN3S(=O)(=O)c3ccccc3)n2)n1 72376277 PRHRAEADNVHRMC-SFHVURJKSA-N 410.503 3.153 0 40 HGAB COc1ccc(-c2noc(CN(C)S(=O)(=O)c3cc(C)ccc3C)n2)cc1OC 223620917 FRXZQUKSUGFUPL-UHFFFAOYSA-N 417.487 3.191 0 40 HGAB O=C1CCC(=O)N1c1ccc(S(=O)(=O)NC(c2ccccc2)c2ccccc2)cc1 225084169 MHFJCKBWTKEDSJ-UHFFFAOYSA-N 420.490 3.408 0 40 HGAB O=C(c1cccc(OC(F)(F)F)c1)N1CCN(c2cc(C(F)(F)F)ncn2)CC1 225731189 LZIZXMZCGAISBM-UHFFFAOYSA-N 420.313 3.356 0 40 HGAB CC[C@@H](C(=O)NCCOCc1ccccc1)N(c1cccc(Cl)c1)S(C)(=O)=O 224301450 ZAZKDLQIKVAXAR-IBGZPJMESA-N 424.950 3.218 0 40 HGAB CC[C@@H](C(=O)NCCOc1cccc(C)c1C)N(c1ccc(F)cc1)S(C)(=O)=O 223938949 WSFQGEHOJODCSD-IBGZPJMESA-N 422.522 3.182 0 40 HGAB CNC(=O)COc1ccc(S(=O)(=O)Nc2ccccc2Oc2ccccc2)cc1 223279811 XNHZYIFNKWBBOG-UHFFFAOYSA-N 412.467 3.405 0 40 HGAB CN(C)c1cccc(C(=O)N2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)c1 40070921 XLEMBYNOMNDVFG-UHFFFAOYSA-N 405.420 3.370 0 40 HGAB Cc1cnn(CC(=O)NC[C@@H]2CC[C@@]3(C)C[C@H](c4ccccc4)C[C@](C)(O3)[C@H]2O)c1 257214757 CNIDHHOLGVWDJA-HPGPFUFHSA-N 411.546 3.190 0 40 HGAB COCc1ccc(C(=O)N2CCc3ncc(-c4cnn(CC5CC5)c4)n3CC2)cc1 585111444 UJKSCKUOORSADM-UHFFFAOYSA-N 405.502 3.002 0 40 HGAB O=C(Nc1ccc(CCN2CCOCC2)cc1)c1ccc(OC[C@@H]2CCCO2)cc1 56039129 ZCKNMBZBSPSXPE-QHCPKHFHSA-N 410.514 3.371 0 40 HGAB Nc1cc2ccccc2nc1[C@@H]1CCCN(C(=O)CN2Cc3ccccc3C2=O)C1 12088015 JDSAGNGTTDBDFB-GOSISDBHSA-N 400.482 3.179 0 40 HGAB Cc1ncc(-c2ccncc2)c([C@H]2CCCN(CC(=O)NCc3cccs3)C2)n1 12118571 MGVKPPQDJZAHIM-SFHVURJKSA-N 407.543 3.404 0 40 HGAB Cc1ccc(CN(C)[C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 13068781 RPFBVQPIVYJZTG-GOSISDBHSA-N 415.559 3.239 0 40 HGAB CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cccc(C(C)=O)c2)ccc1OC 13581425 JGKFNCMJYFJKAQ-UHFFFAOYSA-N 404.488 3.181 0 40 HGAB CC[C@H](C(=O)NCc1ccc(OC)cc1)N(c1ccc(C)c(C)c1)S(C)(=O)=O 13716296 JUPJJPQIAZBVJS-HXUWFJFHSA-N 404.532 3.173 0 40 HGAB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(C(N)=O)cc3)cc2)cc1 14830624 ARKULTLNCNYENY-UHFFFAOYSA-N 423.494 3.171 0 40 HGAB Cc1cccc(NS(=O)(=O)c2cccc(C(=O)NCc3ccc4c(c3)OCO4)c2)c1 15271887 CMOZABYTEASUMD-UHFFFAOYSA-N 424.478 3.455 0 40 HGAB Cc1cc2nc([C@H]3CCCN3C(=O)C[C@]3(C)C(=O)N=C4C=CC=CN43)[nH]c2cc1C 19125330 AUOAMZHKFUPMDC-WZONZLPQSA-N 403.486 3.316 0 40 HGAB Cc1cccc(CS(=O)(=O)N2[C@H]3CC[C@@H]2CC(O)(c2ccc4c(c2)OCO4)C3)c1 19235085 IZMMULSPLCJTCT-QIDMFYOTSA-N 415.511 3.068 0 40 HGAB Cc1nccn1CCCC(=O)N1CCC[C@@H](c2nc(-c3cccs3)cc(=O)[nH]2)C1 19288088 YVNWBQKBAOJUKE-MRXNPFEDSA-N 411.531 3.190 0 40 HGAB Clc1ccc(-c2n[nH]cc2CN(CCN2CCOCC2)Cc2cccnc2)cc1 19338635 SFYZQJCMVBJVOX-UHFFFAOYSA-N 411.937 3.460 0 40 HGAB CCOc1ccc(CC(=O)N2CCC(n3nc4c(cc3=O)CCCCC4)CC2)cc1 19532833 FBZOEXLOUPHRTC-UHFFFAOYSA-N 409.530 3.317 0 40 HGAB CCn1nc(C(=O)NCC2(c3cccc(F)c3)CCOCC2)c2ccccc2c1=O 19717033 WVACQZMHZCAQKY-UHFFFAOYSA-N 409.461 3.034 0 40 HGAB CCOC(=O)[C@@H]1CCc2sc3ncn(CC(=O)c4ccc(F)cc4)c(=O)c3c21 19797235 RUGPCVLFKHUQJY-CYBMUJFWSA-N 400.431 3.073 0 40 HGAB O=C(c1ncccn1)N1CCC2(CCCCCc3ccccc3OCCNC2=O)CC1 643572049 ZLARUAFSQLQWBW-UHFFFAOYSA-N 422.529 3.011 0 40 HGAB C[C@@]12CC[C@@H](C[C@@H]1C(=O)NCCN1CCCCCC1)[C@@]1(C2)NC(=O)c2ccccc2N1 257207600 BILHXFKOOIUVMI-XXWYSINZSA-N 424.589 3.357 0 40 HGAB Cc1cc(CSc2ncccc2C(=O)Nc2ccc(NS(C)(=O)=O)cc2)no1 21193906 KXRGMUQHMHNYJX-UHFFFAOYSA-N 418.500 3.294 0 40 HGAB CSc1ccccc1NC(=O)C(=O)NC[C@](O)(c1ccsc1)c1ccco1 245053412 OTHXFLQMEQSSEI-IBGZPJMESA-N 402.497 3.054 0 40 HGAB O=C(Cn1ccccc1=O)N1CCC2(CC1)C[C@H](OCC1CC1)c1ccc(F)cc12 1565550704 DSAQFBGUGDVBNS-NRFANRHFSA-N 410.489 3.419 0 40 HGAB O=C1C[C@@H](N2CCN(c3ccccc3F)CC2)C(=O)N1c1ccc(F)c(Cl)c1 1441441 PRVZDBMFMYYAGC-GOSISDBHSA-N 405.832 3.072 0 40 HGAB CC(=O)c1ccc(NC(=O)Cn2cnc3c(cnn3-c3ccc(C)c(C)c3)c2=O)cc1 4166125 IGAGIJGFAIXXDN-UHFFFAOYSA-N 415.453 3.040 0 40 HGAB Cc1ccc(NC(=O)CSc2nc(=O)n(CCCN(C)C)c3c2CCCC3)cc1 5254603 IDMXDLRMEMYSAZ-UHFFFAOYSA-N 414.575 3.113 0 40 HGAB COc1ccc(NC(=O)c2coc(NC(=O)Cc3c(C)noc3C)n2)cc1Cl 211073123 FBVKFCWGFDQKOD-UHFFFAOYSA-N 404.810 3.375 0 40 HGAB C[C@@]12NC(=S)N[C@@H](c3cc(Br)ccc3O1)[C@H]2C(=O)Nc1ccccc1 689357 TWSWFATZOVQBPS-RLFYNMQTSA-N 418.316 3.331 0 40 HGAB Cc1ccc(-n2c(SCc3nc(C(C)(C)C)no3)nnc2N2CCOCC2)cc1 40051185 VBAYXXMIDPKGDE-UHFFFAOYSA-N 414.535 3.385 0 40 HGAB O=C(Nc1ccc(-n2cccn2)nc1)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 40057868 FVVNZCRBIRCZLB-UHFFFAOYSA-N 409.405 3.320 0 40 HGAB CC(C)(CNC(=O)Cn1cnc2ccccc2c1=O)c1ccc(Br)cc1 40113449 NALGXRZXDPXGIC-UHFFFAOYSA-N 414.303 3.253 0 40 HGAB O=C(Nc1cccc(-n2cccn2)c1)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 40134224 KCHIGJKFEPXIJY-UHFFFAOYSA-N 424.526 3.053 0 40 HGAB Cc1ccc(NC(=O)CN2N=N[C@@H]3C(=O)N(c4ccc(C(C)C)cc4)C(=O)[C@H]32)cc1C 101168413 GUUNSHSFGBFERA-SFTDATJTSA-N 419.485 3.359 0 40 HGAB CCOC(=O)[C@H]1[C@H](c2cccc(Oc3ccccc3)c2)NC(=O)N[C@]1(O)C(F)(F)F 951710 CCXMQQIZYMCWSJ-JTDSTZFVSA-N 424.375 3.263 0 40 HGAB COc1ccc(NC(=O)Cn2nnc3sc4c(c3c2=O)CCCC4)cc1Cl 958514 HQIQAHBJSOGSOM-UHFFFAOYSA-N 404.879 3.033 0 40 HGAB COc1ccc(CN2C[C@H](c3nccc(-c4ccc(C)cc4)n3)C(=O)NC2=O)cc1 1383271 ARHVVXHMLNUZBC-LJQANCHMSA-N 402.454 3.296 0 40 HGAB COc1ccc(Cc2nn3c(Cn4cnc5ccccc54)nnc3s2)cc1OC 2236174 POHJXYKDVSIZTG-UHFFFAOYSA-N 406.471 3.192 0 40 HGAB CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)Nc2nnc(C3CC3)o2)cc1 2456954 WEBURWZQJODUMI-UHFFFAOYSA-N 404.492 3.153 0 40 HGAB Cc1cc(C)c(C(=O)COC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c(C)c1 3331800 ITWPQASMAUACEK-UHFFFAOYSA-N 415.511 3.436 0 40 HGAB COc1ccc(C2=NN(C(=O)CCC(=O)O)[C@H](c3cccc(OC)c3OC)C2)cc1 4176790 ZKKRQZBBMDGXJJ-SFHVURJKSA-N 412.442 3.255 0 40 HGAB O=c1ccc(-c2ccccc2)c2n1C[C@H]1C[C@@H]2CN(S(=O)(=O)c2ccccc2)C1 4258795 ILNFIVBIFKNRIL-PKOBYXMFSA-N 406.507 3.323 0 40 HGAB biogenic,in-vitro CC1(C)O[C@@H]2O[C@@H](C(=O)Nc3cccc(C(F)(F)F)c3)[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O1 4303683 JPMRKXGFGGGORQ-SGPHBRAGSA-N 417.380 3.040 0 40 HGAB O=C(NCCc1csc2nc(-c3ccc(F)cc3)nn12)c1ccc2c(c1)OCO2 4374741 CNLPFCMCUKUEPA-UHFFFAOYSA-N 410.430 3.298 0 40 HGAB Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3ccc(Br)cc3)C2=O)c1 4498399 XMVJAFISHVUHLZ-MHWRWJLKSA-N 414.259 3.289 0 40 HGAB CCS(=O)(=O)c1ccc(C(=O)N2CCN(c3nc4ccccc4s3)CC2)cc1 4585890 UXOGDDJFZWDKSB-UHFFFAOYSA-N 415.540 3.052 0 40 HGAB COc1ccccc1N1C[C@@H](C(=O)OCC(=O)Nc2ccc(C)c(Cl)c2)CC1=O 5192372 QIPOYEPXLDKXCU-AWEZNQCLSA-N 416.861 3.192 0 40 HGAB COc1ccccc1N1CCN([C@H]2CC(=O)N(c3cccc4ccccc34)C2=O)CC1 5700734 CJIBCAACAYXEBM-QFIPXVFZSA-N 415.493 3.303 0 40 HGAB CN(C)C1(CNC(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)CCCCC1 6784578 DXAMGWWZTJMKHQ-UHFFFAOYSA-N 405.498 3.482 0 40 HGAB CN(CCCNC(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O)c1ccccc1 7228996 JJWXGLPFGQXVRR-UHFFFAOYSA-N 401.816 3.163 0 40 HGAB CCc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)cc1 8107315 FYPSOMOMQSOBLI-UHFFFAOYSA-N 422.572 3.470 0 40 HGAB CN(C)c1ccc(-c2noc([C@@H]3CC(=O)N(c4ccc5c(c4)OCCO5)C3)n2)cc1 8605280 HXIOGCQANKEDHN-OAHLLOKOSA-N 406.442 3.094 0 40 HGAB Cc1cc(=O)c(C(=O)NCC2(N3CCCCC3)CCCCC2)nn1-c1ccccc1 8735983 PIPQSVDXPVBWSE-UHFFFAOYSA-N 408.546 3.460 0 40 HGAB Cn1c(=O)c2c(nc3n(Cc4ccccc4Cl)c(-c4ccccc4)cn23)n(C)c1=O 8970403 BHXSVZHLASVCJH-UHFFFAOYSA-N 419.872 3.055 0 40 HGAB CCCCn1nnnc1CSc1nnc([C@@H](C)N(C)C)n1-c1ccc(F)cc1 9219114 URTMFJUVHLENEI-CYBMUJFWSA-N 404.519 3.108 0 40 HGAB Cc1cc(C(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)c(C)n1CCc1ccc(F)cc1 9337469 ODLKSEOJDRXJNE-HSZRJFAPSA-N 411.477 3.390 0 40 HGAB CC1CCN(C(=O)Cc2csc(NS(=O)(=O)c3ccc(Cl)cc3)n2)CC1 9828492 LWMNWOUOYFPYTA-UHFFFAOYSA-N 413.952 3.398 0 40 HGAB O=C(c1cccc2ccccc12)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 9916091 BOISQXUVSLJQSF-UHFFFAOYSA-N 416.449 3.265 0 40 HGAB COc1ccc(NC(=O)CSc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 10010125 NLCFAJPFOHZMLX-UHFFFAOYSA-N 406.529 3.211 0 40 HGAB CCOc1ccc(-c2nnc(O)c3c2[C@H](c2ccc(F)cc2)n2nnnc2N3)cc1 10295847 VRNBUATVYJMFON-SFHVURJKSA-N 405.393 3.068 0 40 HGAB CN(C)C(=O)[C@H](OC(=O)C1CCN(c2nc3ccccc3o2)CC1)c1ccccc1 10654375 MDMHVVFSWKBUII-HXUWFJFHSA-N 407.470 3.417 0 40 HGAB CC[C@H](C)[C@H](NC(N)=O)C(=O)NCc1cn(Cc2ccccc2)nc1-c1ccccc1 11340263 UKWLBBOXPGBNIZ-UWJYYQICSA-N 419.529 3.298 0 40 HGAB O=c1ccc(-c2cccs2)nn1CC1(O)CCN(Cc2cc(F)cc(F)c2)CC1 12186613 MUXMQLHLTWRKDA-UHFFFAOYSA-N 417.481 3.277 0 40 HGAB CCN(C(=O)CSc1nc2c(=O)[nH]cnc2n1-c1ccccc1)c1ccccc1 12411830 RBVLOKYUDKSWPX-UHFFFAOYSA-N 405.483 3.254 0 40 HGAB biogenic,in-vitro O=C(Nc1cccc(S(=O)(=O)NC2CC2)c1)c1ccc(Br)cc1F 12694136 XKVFHKCSDGCZFG-UHFFFAOYSA-N 413.268 3.281 0 40 HGAB CCc1noc(CSc2nc3cc(Cl)ccc3c(=O)n2C[C@@H]2CCCO2)n1 12781045 YFIISIOOIJPVCY-LBPRGKRZSA-N 406.895 3.467 0 40 HGAB C[C@]1(c2ccccc2)NC(=O)N(NC(=O)CCc2ccc(Cl)cc2Cl)C1=O 12985426 HYLQWFRULIWMKS-LJQANCHMSA-N 406.269 3.424 0 40 HGAB COc1ccc(F)cc1S(=O)(=O)N1CCC[C@H](C(=O)NCCC2=CCCCC2)C1 13580543 AXYYXCNYCZGQSZ-KRWDZBQOSA-N 424.538 3.242 0 40 HGAB CCCOc1ccc(-c2csc(NC(=O)[C@H]3CCCCN3S(C)(=O)=O)n2)cc1 13792406 WDFSTIOBBVXBDL-QGZVFWFLSA-N 423.560 3.352 0 40 HGAB COc1ccc([C@@H](NC(=O)Cn2cnc3sccc3c2=O)c2ccccc2)cc1 14124506 JHFFCPFRLVQQMH-FQEVSTJZSA-N 405.479 3.372 0 40 HGAB CCOc1ccc(CN(C)C(=O)c2ccc3c(c2)C[C@H](C)N3S(C)(=O)=O)cc1 15525199 JBAUTZDTVJUIGI-HNNXBMFYSA-N 402.516 3.068 0 40 HGAB COc1ccccc1Cn1ccnc1SCC(=O)NCc1ccc2c(c1)OCO2 15825656 FRTFRAFEXFDBKN-UHFFFAOYSA-N 411.483 3.077 0 40 HGAB Cc1ccc(-n2nnnc2-c2cnc(N3[C@H](C)COC[C@H]3C)nc2C(F)(F)F)cc1 16311510 ABCKBUWIUXWQCV-CHWSQXEVSA-N 419.411 3.060 0 40 HGAB Cc1ccc2c(c1)c(=O)cc(C(F)(F)F)n2C[C@@H](C)NC(=O)CCn1ccc(C)n1 19220008 XHIADFMNPOEZBU-OAHLLOKOSA-N 420.435 3.429 0 40 HGAB COc1cc(CNCCN2CCOCC2)ccc1OCc1c(F)cccc1Cl 19550251 PQAPAXXUERVALT-UHFFFAOYSA-N 408.901 3.489 0 40 HGAB Cc1ccc(N(CC(=O)NCCSCc2ccccc2)S(C)(=O)=O)cc1C 20236807 VKMZSYIKSVZFRM-UHFFFAOYSA-N 406.573 3.119 0 40 HGAB O=C1Nc2ccccc2CC[C@@H]1Sc1nnnn1-c1ccc(Br)cc1 20739216 HDQJMYFYVLFOSR-HNNXBMFYSA-N 416.304 3.470 0 40 HGAB O=C(COc1ccc(Cl)cc1)NC(=S)Nc1ccc(CN2CCOCC2)cc1 22468471 MRXHFMKWMDWNLY-UHFFFAOYSA-N 419.934 3.064 0 40 HGAB COc1ccc(-c2nnc(CN3C(=O)N[C@@](C)(c4ccc5c(c4)CCC5)C3=O)o2)cc1 23908886 JERSGWDFJIKBBP-QHCPKHFHSA-N 418.453 3.201 0 40 HGAB CCc1ccccc1NC(=O)CNC(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O 24929011 QUOYRYBCUSDJQF-KRWDZBQOSA-N 417.918 3.460 0 40 HGAB O=C(Cn1cnc2c(oc3ccccc32)c1=O)OCc1cc(Cl)c2c(c1)OCO2 25051181 WPXDUMTUMRGXLD-UHFFFAOYSA-N 412.785 3.268 0 40 HGAB Cc1cc(CN(C)C(=O)Cc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)no1 25135963 SICGBDRICLZYRF-UHFFFAOYSA-N 417.462 3.124 0 40 HGAB CC[C@H](C)c1ccc(S(=O)(=O)N2CCN(C[C@H](O)c3ccccc3)CC2)cc1 25685731 FSXOGUQMHBZTQL-AVRDEDQJSA-N 402.560 3.240 0 40 HGAB FC(F)(F)c1cccc(N2CCN(Cc3nnnn3Cc3ccccc3)CC2)c1 29801420 YVEZACFNBPMZCZ-UHFFFAOYSA-N 402.424 3.062 0 40 HGAB O=S(=O)(NCc1ccccc1CN1CCN(c2ccccc2)CC1)c1ccccc1 30430550 YPKUFXRLENOFQX-UHFFFAOYSA-N 421.566 3.487 0 40 HGAB CCn1c(=O)[nH]c(=O)c2c(C(=O)N[C@@H](C)c3ccccc3Cl)cc(C3CC3)nc21 32078838 PKLLOHPXWHHLEH-NSHDSACASA-N 412.877 3.127 0 40 HGAB Cn1c(SCC(=O)NCCc2ccccc2)nnc1-c1ccc2c(c1)OCCCO2 33087506 GFPDMUOZPOXLLC-UHFFFAOYSA-N 424.526 3.094 0 40 HGAB CN1CCN(S(=O)(=O)c2ccc(SCc3cccc4ccccc34)nc2)CC1 34872123 MQTLGOSCXRSSAE-UHFFFAOYSA-N 413.568 3.463 0 40 HGAB O=C(COC(=O)c1cnc(Cl)c(Cl)c1)NC(=O)c1ccc(OC(F)F)cc1 39587353 JLNXVDJIPVEERX-UHFFFAOYSA-N 419.167 3.103 0 40 HGAB COc1cc(C)ccc1Oc1ccc(NC(=O)c2cccc(-n3cnnn3)c2)cn1 40090813 ZGWXYWLPOTUONI-UHFFFAOYSA-N 402.414 3.419 0 40 HGAB CC(C)N1C(=O)c2ccc(C(=O)N(C)[C@@H](C)c3ccc(F)cc3)cc2S1(=O)=O 40153175 VJUWZFHDVRSMMZ-ZDUSSCGKSA-N 404.463 3.212 0 40 HGAB CCc1cc(=O)n(CC(=O)Nc2ccc(OC)cc2OC)c(-c2cccc(F)c2)n1 57508099 AMVFLRXPQROCPX-UHFFFAOYSA-N 411.433 3.268 0 40 HGAB CCOc1ccc(N2C(=O)c3ccc(C(=O)N[C@H](C)c4nc(C)no4)cc3C2=O)cc1 58138613 UVYMZVGIAJBVSA-GFCCVEGCSA-N 420.425 3.068 0 40 HGAB CCN(CCNC(=O)c1ccc(I)cc1)C(=O)OC(C)(C)C 58368902 CPMCICNCMDEWDA-UHFFFAOYSA-N 418.275 3.278 0 40 HGAB Cn1cnc(S(=O)(=O)Nc2cc(Cl)ccc2C(=O)N2CCCCC2)c1Cl 59120733 KWWCVCJKQXYYCI-UHFFFAOYSA-N 417.318 3.154 0 40 HGAB Cc1ccccc1CNC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1 64985324 ZQIQXVBRUDSAPR-JOCHJYFZSA-N 422.506 3.268 0 40 HGAB CN(C)C(=O)Sc1ccccc1NC(=O)c1ccc(=O)n(-c2ccc(F)cc2)n1 65562744 FYHVQWOQNGOAOI-UHFFFAOYSA-N 412.446 3.398 0 40 HGAB COC(=O)c1ccc(NC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2C(C)C)cc1 67236084 OVKXLUGSUPFUOG-UHFFFAOYSA-N 414.487 3.131 0 40 HGAB Nc1nc(N2CCN(c3ccccc3Cl)CC2)ncc1C(=O)Nc1ccccc1 67336584 BAYHUPOVAFDRNU-UHFFFAOYSA-N 408.893 3.291 0 40 HGAB CCOC(=O)C[C@@H](c1ccc(OC2CCCC2)cc1)c1oc(CO)cc(=O)c1O 71283602 KMLVNXGPAMOIMA-SFHVURJKSA-N 402.443 3.244 0 40 HGAB CCCCN1C(=O)CC[C@@H](C(=O)NCC2(O)CCCC2)[C@@H]1c1ccccc1OC 72284864 RGXHPWVWSVWVJO-NQIIRXRSSA-N 402.535 3.196 0 40 HGAB Cn1ccnc1[C@@H](O)c1cccc(F)c1N1CCN(Cc2cc(F)cc(F)c2)CC1 72340598 RDRBRMSDFBJNNX-NRFANRHFSA-N 416.447 3.241 0 40 HGAB CCOc1ccc(NC(=O)[C@@H]2CC23CCOCC3)cc1S(=O)(=O)N1CCCCC1 79000328 KVNZFYGTLLQAJF-KRWDZBQOSA-N 422.547 3.015 0 40 HGAB CC(C)(C)C(=O)COC(=O)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1 89621209 ANSITHXZHURNBZ-UHFFFAOYSA-N 415.511 3.206 0 40 HGAB COc1ccc(S(=O)(=O)N2[C@@H]3CC[C@@H]2CC(NC(=O)Nc2ccccc2)C3)cc1 100433923 HNCJVOLNHOOHFU-QZTJIDSGSA-N 415.515 3.201 0 40 HGAB O=C(CCN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O)Nc1ccc(Cl)c(Cl)c1 102086130 YYTXKGKVYZOGLL-OPFBACGJSA-N 405.281 3.375 0 40 HGAB CCOC(=O)[C@]1(CN)[C@@H](S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1ccc(CC)cc1 218565403 FCGSADDHOIRCQG-ONTIZHBOSA-N 401.528 3.005 0 40 HGAB COc1ccc(OC)c(N([C@H](C)C(=O)Nc2cccc(C)c2C)S(C)(=O)=O)c1 220209307 RRYGFMWETRFCSU-OAHLLOKOSA-N 406.504 3.114 0 40 HGAB COC(=O)c1cn(C(=O)CN(c2ccc(C)cc2C)S(C)(=O)=O)c2ccccc12 222580613 SBWIXDHBWRJINP-UHFFFAOYSA-N 414.483 3.151 0 40 HGAB Cc1cccc(OCCNC(=O)CCCN(c2ccccc2F)S(C)(=O)=O)c1C 223958258 WJGZEPVNDSROGV-UHFFFAOYSA-N 422.522 3.184 0 40 HGAB Cc1ccc(C)c(OCCNC(=O)[C@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)c1 224004611 RTSCSGGNFUPAPC-INIZCTEOSA-N 424.950 3.307 0 40 HGAB C[C@@H]1CN(C(=O)Cc2ccc(F)cc2)CC[C@@]12CC[C@@H](C(=O)Nc1cccnc1)O2 253601440 AMBFRLPUGKWREO-CGYQNGNCSA-N 411.477 3.188 0 40 HGAB COc1cccc(OC)c1OCC(=O)N1CCCC[C@H]1c1nnc(-c2cccnc2)o1 257213724 CIUXZLNSGXDZIL-INIZCTEOSA-N 424.457 3.281 0 40 HGAB CC(C)[C@H](C)NC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)c2cc(Cl)ccc2O1 260899323 KWPUXGMIJJFHLE-IFXJQAMLSA-N 422.934 3.457 0 40 HGAB O=C(Nc1ccccc1)c1nnc2n1C[C@@H]1CN(Cc3ccccc3Cl)C[C@@H]1C2 306131036 JVFRVUVEBYCXLK-IRXDYDNUSA-N 407.905 3.488 0 40 HGAB CCOc1ccccc1NC(=O)COc1ccc(S(=O)(=O)NCC(C)C)cc1C 409375763 OXWKLOKGPAMAIW-UHFFFAOYSA-N 420.531 3.346 0 40 HGAB Cc1cc(C)nc(Nc2cc([C@@H]3CCCN(C(=O)/C=C/c4cnc[nH]4)C3)nc(C)n2)n1 585290775 FIERXLRSXJDQAG-DKRLNXSXSA-N 418.505 3.078 0 40 HGAB Cc1c(S(=O)(=O)c2ccc(Br)cc2)nnn1-c1cc(F)ccc1F 1775966858 HPGBOWZLDPANFC-UHFFFAOYSA-N 414.231 3.449 0 40 HGAB CCOC(=O)[C@H]1CCCN(C(=O)N[C@]2(C(F)(F)F)Oc3ccc(Cl)cc3O2)C1 646261 SYKLQYCTRSITGN-DYZYQPBXSA-N 422.787 3.312 0 40 HGAB COc1cccc(OC)c1C(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)on2)cc1 939841 TXOUBGJHPFZQCW-UHFFFAOYSA-N 417.443 3.053 0 40 HGAB COc1cc(/C=c2/sc3nc(-c4ccncc4)nn3c2=O)ccc1OCCC(C)C 1018966 WILNVOLENQAHAA-CPNJWEJPSA-N 422.510 3.194 0 40 HGAB CSCC[C@@H](NC(=O)Cc1c(C)c2cc3c(C)c(C)oc3cc2oc1=O)C(=O)O 2096210 OPFBYXFAZQZKQP-MRXNPFEDSA-N 417.483 3.329 0 40 HGAB biogenic COC(=O)c1c(NC(=O)c2cnccn2)sc(C(=O)Nc2ccc(C)cc2)c1C 2763123 UGRLNTPUYRRIPO-UHFFFAOYSA-N 410.455 3.446 0 40 HGAB CS(=O)(=O)c1ccc(Cl)c(NC(=O)CSc2ccc3c(c2)OCCO3)c1 3605557 KLQHYLOKRFABJZ-UHFFFAOYSA-N 413.904 3.246 0 40 HGAB Cc1cccc(CSc2nnc(Cc3cc(=O)[nH]c(=O)[nH]3)n2-c2cccc(C)c2)c1 4061368 PBJBKFBJAVKTJL-UHFFFAOYSA-N 419.510 3.144 0 40 HGAB CCCOc1ccc(CN(C(=O)c2ccccc2F)[C@H]2CCS(=O)(=O)C2)cc1 4186444 VPOLGYMNOKFKGS-KRWDZBQOSA-N 405.491 3.444 0 40 HGAB Cc1ccccc1-n1nc2c(c1NC(=O)c1cc3ccccc3oc1=O)C[S@](=O)C2 4211045 CLSQGIFUWULSLR-SSEXGKCCSA-N 419.462 3.302 0 40 HGAB CCn1c(COc2cc(C)ccc2C)nnc1SCC(=O)Nc1nncs1 4816334 DAVCHIUAZZFXFU-UHFFFAOYSA-N 404.521 3.076 0 40 HGAB C[C@H](Sc1nnc(COc2ccccc2)n1C)C(=O)Nc1ccc2c(c1)OCO2 4816340 PZDZLOODTQADRJ-ZDUSSCGKSA-N 412.471 3.242 0 40 HGAB O=S(=O)(Nc1ccc(N2CCCS2(=O)=O)cc1)c1ccc2ccccc2c1 5075427 RTFVULFOKSGVDX-UHFFFAOYSA-N 402.497 3.181 0 40 HGAB CC1CCN(C(=O)[C@H](C)Sc2nc3ccccc3c(=O)n2C[C@H]2CCCO2)CC1 5129735 WBMYFZAZAINJIH-DLBZAZTESA-N 415.559 3.315 0 40 HGAB Cc1c(CCC(=O)N2CCN(c3ccccc3)CC2)c(=O)oc2c(C)c(O)ccc12 6660685 ABMMXRHATCGOSS-UHFFFAOYSA-N 406.482 3.397 0 40 HGAB CC(C)NC(=O)[C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(-c2ccc(C(C)(C)C)cc2)nn1 8299232 RMWYZZGCGCVRKL-NRSPTQNISA-N 409.578 3.478 0 40 HGAB biogenic,in-vitro CC[C@H](NC(=O)CNC(=O)c1ccccc1OC)c1ccc(Br)cc1 8708801 RAHSTYWGXOSRRG-INIZCTEOSA-N 405.292 3.455 0 40 HGAB O=Cc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccccc2)C(c2ccccc2)=NN=3)cc1 8965007 OALPZFJPSSTQMB-QFVBLGFASA-N 423.497 3.178 0 40 HGAB CCN1C(=O)C(C)(C)COc2ccc(NS(=O)(=O)c3ccc(OC)cc3)cc21 9170558 ZXKOINWTPOIAJZ-UHFFFAOYSA-N 404.488 3.268 0 40 HGAB O=C(CSc1nnc(-c2ccncc2)n1C1CC1)c1c[nH]c(C(=O)N2CCCC2)c1 9460429 UILUQDBTRHZFRL-UHFFFAOYSA-N 422.514 3.214 0 40 HGAB CCN(c1ccc(C(=O)Nc2cc(OC)c(Cl)cc2OC)cc1)S(C)(=O)=O 10008627 ZXWOHAJZRLKWJN-UHFFFAOYSA-N 412.895 3.395 0 40 HGAB Cc1oc2cc(OCC(=O)NCCC(=O)O)ccc2c(=O)c1-c1ccc(Cl)cc1 11866045 WIVPMGBXAVTKRL-UHFFFAOYSA-N 415.829 3.392 0 40 HGAB O=C(CCn1cnc2ccccc21)N1CCN(Cc2nc3ccccc3s2)CC1 12506111 WOFZRTJOTMYIMN-UHFFFAOYSA-N 405.527 3.381 0 40 HGAB O=C(CCS(=O)(=O)c1ccc2c(c1)OCCO2)Nc1cccc(C(F)(F)F)c1 12735141 QXQHUSVXSQJVJF-UHFFFAOYSA-N 415.389 3.279 0 40 HGAB C/C=C/c1ccc(OCC(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)c(OC)c1 12788211 CFXATZVGUKYWTK-ZGHBNVOCSA-N 410.514 3.124 0 40 HGAB Cc1ccccc1C(=O)N1CCC(C(=O)O[C@@H](C)C(=O)N2CCC(C)CC2)CC1 12796847 JMBCZTYEKMSZOF-SFHVURJKSA-N 400.519 3.037 0 40 HGAB CN(CC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)C(=O)c1ccco1 12886637 XHTPZKBIQKWDKU-UHFFFAOYSA-N 417.509 3.285 0 40 HGAB C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)c1ccccc1 12901288 KPECSSWZRAIJID-QGZVFWFLSA-N 412.555 3.453 0 40 HGAB COc1cc(CN(C2CC2)S(=O)(=O)c2c(C)noc2C)ccc1OC(F)F 12917115 WXDUGSPDAUQYLW-UHFFFAOYSA-N 402.419 3.255 0 40 HGAB COc1ccc(/C=C(/NC(=O)c2ccccc2Cl)C(=O)NCCCC(=O)O)cc1 13124094 VHJBVNRHFYVQDD-QGOAFFKASA-N 416.861 3.101 0 40 HGAB CC(C)Sc1nc2c(c(=O)n(Cc3ccccc3)c(=O)n2C)n1Cc1ccccc1 13739431 MXVOGKPBWNHTSO-UHFFFAOYSA-N 420.538 3.494 0 40 HGAB O=C(NC[C@@H]1COc2ccccc2O1)c1nn(-c2ccc(F)cc2)c2c1CCCC2 14776800 YBWPQALPOKUJHN-QGZVFWFLSA-N 407.445 3.460 0 40 HGAB O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cncc(Br)c1 14829998 MEEVYPQLQJVFQS-UHFFFAOYSA-N 424.320 3.271 0 40 HGAB O=C1[C@@H]2[C@H](C(=O)N1c1cccc(C(F)(F)F)c1)[C@H](c1ccc(F)cc1)N1CCCN21 19171523 RASNOJDOUWQTMT-SQNIBIBYSA-N 419.378 3.380 0 40 HGAB COCCN1Cc2cccc(C(=O)N[C@H](C)Cc3c[nH]c4c(C)cccc34)c2C1=O 19236638 DUSUNZXJNAYIEH-MRXNPFEDSA-N 405.498 3.440 0 40 HGAB O=C1C[C@H](C(=O)N2CCC[C@]3(CCC(=O)N3)[C@H]2c2cccc(F)c2)c2ccccc2N1 19374880 JRNKYOHQPSUOQL-ANJVHQHFSA-N 421.472 3.264 0 40 HGAB C[C@H]1CC(=O)N(c2cccc(C(=O)N3CCC(Oc4ccccc4F)CC3)c2)C1=O 19462345 WSTKZRSATSGIOH-HNNXBMFYSA-N 410.445 3.409 0 40 HGAB COc1ccc(CN2CCC[C@@H](c3nc(-c4ccccn4)cc(=O)[nH]3)C2)c(OC)c1 19552300 DKHVIKINJJXHSI-QGZVFWFLSA-N 406.486 3.229 0 40 HGAB Cc1cc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)N3CCOCC3)cc2c1 19568124 LTOHITKDOXNFDF-NRFANRHFSA-N 422.533 3.058 0 40 HGAB Cc1nc([C@H]2CCCN(C(=O)Cc3ccccn3)C2)ncc1C(=O)Nc1ccccc1 19765312 RUXSFLHUFSWPIH-SFHVURJKSA-N 415.497 3.381 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cc(F)ccc3F)C2)cc1 20016765 ZAPMABCZRFOSDT-CYBMUJFWSA-N 410.442 3.013 0 40 HGAB COc1ccccc1C(=O)N[C@]1(C(F)(F)F)N=C(c2ccccc2)N(C(C)C)C1=O 20650184 URVGEAVVYDSQQO-HXUWFJFHSA-N 419.403 3.381 0 40 HGAB COC(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N(c2ccccc2)C12CCCCC2 20718126 UMGRNLGEGHLBEU-NRFANRHFSA-N 406.482 3.423 0 40 HGAB Cc1sc2nc(S[C@H](C)C(=O)Nc3ccc4c(c3)OCO4)n(C)c(=O)c2c1C 21370334 GDMREEZJOIVFSX-LLVKDONJSA-N 417.512 3.460 0 40 HGAB Cc1nn2c(nc(Sc3nnnn3C[C@@H]3CCCO3)c3ccccc32)c1Cl 22015555 KVLGNASDGLZQOF-NSHDSACASA-N 401.883 3.161 0 40 HGAB CCN(CC)C(=O)COc1ccc(N(Cc2ccccc2F)S(C)(=O)=O)cc1 22233663 WNXAMCIDMZTYIF-UHFFFAOYSA-N 408.495 3.039 0 40 HGAB CCS(=O)(=O)N(C)c1cc(OC)c(OC)cc1C(=O)Nc1ccc(Cl)cc1 22252670 GKKXPDYYLKUKTK-UHFFFAOYSA-N 412.895 3.395 0 40 HGAB CCN(CC)[C@H](CNC(=O)c1ccc2c(c1)CCN2C(C)=O)c1cccc(OC)c1 22700856 RSMZFTJNUHIIIV-HSZRJFAPSA-N 409.530 3.417 0 40 HGAB C[C@H](C(=O)Nc1sccc1C(N)=O)N(C)Cc1ccccc1OC(F)(F)F 22966555 USOONRJXLDADNL-SNVBAGLBSA-N 401.410 3.205 0 40 HGAB O=C(c1cc2ccccc2o1)N1CCN(Cc2nnnn2-c2ccc(Cl)cc2)CC1 23134348 PTHJNEVEPGXHCJ-UHFFFAOYSA-N 422.876 3.020 0 40 HGAB O=C(CN1CCN(c2ccccn2)CC1)N1c2ccccc2OC[C@@H]1c1ccccc1 23882692 YNYVTYAWZCOGTD-JOCHJYFZSA-N 414.509 3.371 0 40 HGAB O=S(=O)(c1ccccc1OC(F)(F)F)N1CCN(c2ccccc2F)CC1 24257594 YTRBDDMXHBUOJK-UHFFFAOYSA-N 404.385 3.235 0 40 HGAB Cc1cc(=O)c(C(=O)N(C)CCOc2ccccc2F)nn1-c1ccccc1Cl 32787985 KIJUABCUHYMSAN-UHFFFAOYSA-N 415.852 3.484 0 40 HGAB CC(=O)Nc1ccc(C(=O)N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)cc1 33187456 CKYIMSMNEDNBAQ-UHFFFAOYSA-N 419.403 3.262 0 40 HGAB CCOc1ccc([C@@H]2[C@H](C(=O)Nc3ccccc3OC)[C@H](C)Nc3ncnn32)cc1 36701555 VWKQDISTZBJYHL-VHKYSDTDSA-N 407.474 3.344 0 40 HGAB Cn1c(-c2cccs2)nn(CCNC(=O)Nc2ccccc2C(F)(F)F)c1=O 36708538 UMBSSYWAZMWCNQ-UHFFFAOYSA-N 411.409 3.151 0 40 HGAB CN1C(=O)c2ccccc2[C@@H](C(=O)NCc2cccnc2)[C@@H]1c1ccc2c(c1)OCO2 40267922 LGFDVHZETKFAGF-YADHBBJMSA-N 415.449 3.037 0 40 HGAB Cc1noc2nc(-c3ccccc3F)cc(C(=O)N[C@H](C)C(=O)N3CCCCC3)c12 47289803 VTKREGSMIJLEDN-CQSZACIVSA-N 410.449 3.468 0 40 HGAB O=C(NCc1ccc(N2CCCCCC2)nc1)[C@@H]1CCCN1C(=O)c1cccs1 48355903 WPOYFLPFSIEIER-SFHVURJKSA-N 412.559 3.445 0 40 HGAB Cc1ccnn1-c1cc(SCC(=O)NCc2ccc(C(F)(F)F)cc2)ncn1 49404366 UVOMMVTZJGEHPJ-UHFFFAOYSA-N 407.421 3.398 0 40 HGAB CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)CCc2nnc(-c3ccsc3)o2)C1 50733049 KCHHJVJPRFRIIA-HUUCEWRRSA-N 404.536 3.274 0 40 HGAB Cc1ccc(C)c(NC(=O)Cn2c(=O)n(-c3ccccc3)c(=O)c3sccc32)c1 57428840 CQUMZSIOOPTJSQ-UHFFFAOYSA-N 405.479 3.469 0 40 HGAB CN(c1ccccc1)c1ccccc1NC(=O)NC[C@H]([C@@H]1CCOC1)N1CCOCC1 58156388 NRDCSMRVBYVPDS-AUSIDOKSSA-N 424.545 3.313 0 40 HGAB CSc1nnc(CN2C(=O)N[C@](Cc3ccccc3)(c3ccccc3)C2=O)s1 58378153 YWUCKVAQLCPSTQ-HXUWFJFHSA-N 410.524 3.450 0 40 HGAB COc1cc(=O)oc(/C=C/C=C\C=C/C(C)=C\[C@@]2(C)O[C@@H](C)[C@](C)(O)[C@H]2O)c1C 62612991 JLSVDPQAIKFBTO-HKZNHGQKSA-N 402.487 3.318 0 40 HGAB CC(C)c1ccc(-c2cc3c(=O)n(CCC(=O)NCc4ccccn4)ccn3n2)cc1 67261037 TXFLBZRRXNVFJB-UHFFFAOYSA-N 415.497 3.388 0 40 HGAB COc1cccc2cc(C(=O)Nc3nccs3)/c(=N/c3ccc(C(N)=O)cc3)oc12 67295863 KNFSYECRHROLCE-GFMRDNFCSA-N 420.450 3.482 0 40 HGAB O=C1COc2ccccc2N1CC(=O)N1CCCC[C@@H]1c1nc(-c2ccccc2)no1 70005675 SGDHTSBFRXZWBQ-GOSISDBHSA-N 418.453 3.216 0 40 HGAB Cc1nn([C@H]2CCS(=O)(=O)C2)c2c1[C@H](c1cccc(OC(F)F)c1)CC(O)=N2 71280302 SZCAGBNIKIEPSJ-JSGCOSHPSA-N 411.430 3.276 0 40 HGAB Cc1c(CN2CCc3c(nc(N4CCC[C@H](C)C4)[nH]c3=O)C2)[nH]c2ccc(F)cc12 72335629 BLVPILPYUBVKCQ-AWEZNQCLSA-N 409.509 3.493 0 40 HGAB CC(C)n1ncc2cc(S(=O)(=O)NC[C@H](c3cccc(F)c3)N(C)C)ccc21 79111036 MQZALQCVFRGJPW-HXUWFJFHSA-N 404.511 3.338 0 40 HGAB Cc1cccc([C@H]2CCCN2C(=O)C(=O)Nc2cc(C)ccc2S(C)(=O)=O)c1 95367698 YVEFXDRIVSPYFP-GOSISDBHSA-N 400.500 3.009 0 40 HGAB COc1ccc(Cl)cc1N1CC[C@H](NC(=O)c2cccc(N3CCOC3=O)c2)C1 95397008 PSNMSCWFARDYTK-INIZCTEOSA-N 415.877 3.314 0 40 HGAB COc1cc(/C=C/C(=O)Nc2ccncc2I)cc(OC)c1 95413743 VIJFCKIZGZPOLH-ONEGZZNKSA-N 410.211 3.355 0 40 HGAB O=C(CCCCc1cn[nH]n1)NCc1cc(Br)ccc1OC(F)F 96012373 WDVMRARWUVBWMC-UHFFFAOYSA-N 403.227 3.198 0 40 HGAB Cn1cc([C@@H](O)CNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)c2ccccc21 96096517 JRGZGSHDOUSAFV-KRWDZBQOSA-N 414.405 3.089 0 40 HGAB COc1cccc(S(=O)(=O)N2CCN(c3nc(-c4ccsc4)cs3)CC2)c1 96099908 MXOOIFHFAFOCOE-UHFFFAOYSA-N 421.569 3.391 0 40 HGAB O=C([C@@H]1CC(=O)N(c2n[nH]c3ccccc23)C1)N1CCC(Cc2ccccc2)CC1 96343889 HIGBIEQIDCOCLV-LJQANCHMSA-N 402.498 3.397 0 40 HGAB CCS(=O)(=O)[C@@](Cl)(Br)[C@@H](O)c1ccc(Br)cc1 96519822 GFXQIBCSXKGWKL-VHSXEESVSA-N 406.523 3.205 0 40 HGAB CC1(C)[C@H]2CC[C@@]1(C)C(=O)N(CC(=O)N1CCC(Oc3cccc(F)c3)CC1)C2=O 100773269 ODMNXIBQVWOQBX-MBSDFSHPSA-N 416.493 3.007 0 40 HGAB CCOC(=O)c1ccc(NC(=O)[C@@H](CC)N(c2ccccc2)S(C)(=O)=O)c(C)c1 219083217 VQOTXMJOYJAWTI-LJQANCHMSA-N 418.515 3.355 0 40 HGAB CC[C@@H](C(=O)NCCSCc1ccco1)N(c1cc(C)ccc1C)S(C)(=O)=O 220539811 HBGGSNFMAIXOIF-SFHVURJKSA-N 424.588 3.491 0 40 HGAB CCOC(=O)c1cc(NS(=O)(=O)c2cc(C(=O)OC)ccc2C)ccc1Cl 223837874 MPBHHEQEYHOKGD-UHFFFAOYSA-N 411.863 3.413 0 40 HGAB COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)Nc2ccc3c(c2)OCCO3)cc1 225009610 VZOUTSRQMODDFU-RGEXLXHISA-N 420.421 3.469 0 40 HGAB COc1cccc(-c2noc(CNC(=O)Cc3cccc(Br)c3)n2)c1 225623585 FIOLYDKUVDKZOZ-UHFFFAOYSA-N 402.248 3.367 0 40 HGAB COc1ccc(N(C)C(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 226072941 COLGSDHTZFJOTB-UHFFFAOYSA-N 422.934 3.412 0 40 HGAB Cc1c(CN2CCC[C@@](C[C@H]3CC(c4ccc(F)cc4)=NO3)(C(=O)O)C2)cnn1C 248077116 ZFBVVSZQJNIHHX-KNQAVFIVSA-N 414.481 3.118 0 40 HGAB Cc1ncc(C(=O)N2[C@H]3CCCCC(=O)N[C@@]3(C)C[C@H]2Cc2ccccc2)c(C)n1 257305640 SQWGXNYXYNYDCO-IZIIKQMZSA-N 406.530 3.368 0 40 HGAB CCOC(=O)Nc1cc(S(=O)(=O)Nc2ccc(NC(C)=O)cc2)ccc1OC 408587229 SLFFHFCUBXHVLS-UHFFFAOYSA-N 407.448 3.023 0 40 HGAB COc1ccc(-c2nnc(CN(C)C(=O)COc3cc(C)cc(C)c3)o2)cc1OC 408714268 MPJNXBCBGYLQKK-UHFFFAOYSA-N 411.458 3.408 0 40 HGAB CCOc1cc(/C=C2\SC(=N)NC2=O)ccc1OS(=O)(=O)c1ccc(C)cc1 408755803 PKNMXCVZHTVMNZ-BOPFTXTBSA-N 418.496 3.300 0 40 HGAB Cc1ccc([C@@H]2[C@H](NC(=O)c3ccc(F)cc3)C(=O)N/[N+]2=C\c2ccccc2)cc1 409053442 KCORKLIGJJGTQS-DCFWFYTKSA-O 402.449 3.150 0 40 HGAB COc1cccc(OC)c1C(=O)N1CCC(C(=O)Nc2c(F)cccc2F)CC1 409076457 BFBRZXAWXXXXBR-UHFFFAOYSA-N 404.413 3.473 0 40 HGAB COc1ccc2[nH]cc(-c3csc(NC(=O)COc4c[nH]c(C)cc4=O)n3)c2c1 524735777 YEWSEYDNRZBTPC-UHFFFAOYSA-N 410.455 3.314 0 40 HGAB CC(C)CCN1c2cccnc2-n2cccc2[C@@]12CCN(C(=O)[C@@H]1[C@H]3COC[C@H]31)C2 585107040 OWASRPSITHHIDY-WQNDALKBSA-N 406.530 3.058 0 40 HGAB COc1ccc(S(=O)(=O)Nc2cccc(C(=O)N[C@@H]3C[C@H]4CC[C@H]3C4)c2)cc1 1073821885 UBSJMQGBAHJMOV-AUSJPIAWSA-N 400.500 3.414 0 40 HGAB COc1cc(Br)cc2sc(NC(=O)COC[C@H]3CCCO3)nc12 1134827950 FBYFQDQGIUWFAZ-SNVBAGLBSA-N 401.282 3.202 0 40 HGAB O=C(c1cccc(-n2cccn2)c1)N1CCC(Cn2cnc3ccccc3c2=O)CC1 1775972967 IAWOLHHLMVMIQZ-UHFFFAOYSA-N 413.481 3.135 0 40 HGAB COc1cccc(-c2cc(C(F)(F)F)n3ncc(C(=O)NC[C@H]4CCCO4)c3n2)c1 2206477 ONKFNPXZADXJEQ-CQSZACIVSA-N 420.391 3.333 0 40 HGAB COCCNC(=O)c1c(N)n(Cc2ccc(Cl)cc2)c2nc3ccccc3nc12 2309955 DWAHBFVMIQAZOM-UHFFFAOYSA-N 409.877 3.245 0 40 HGAB CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCC(=O)c1ccc(Cl)s1 3302254 HULUTNWUJIAXQP-HNNXBMFYSA-N 404.875 3.356 0 40 HGAB CCN(CC)S(=O)(=O)c1cccc(C(=O)OCc2cc(C(C)=O)ccc2OC)c1 3387531 WCAUZFJUROAABE-UHFFFAOYSA-N 419.499 3.285 0 40 HGAB COc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4C)[C@H](c4cccnc4)[C@H]3C2=O)cc1 4247720 PWQSEFAZOVLDGP-YPAWHYETSA-N 415.449 3.450 0 40 HGAB CCCCOCCCNC(=O)[C@H](C(=O)c1ccc(F)cc1)n1cc(C)ccc1=O 4700651 KRCIRJTVOOOQLS-FQEVSTJZSA-N 402.466 3.043 0 40 HGAB CCn1c(COc2ccc(C)cc2C)nnc1SCC(=O)Nc1nncs1 4816352 VZNLNBFKIJGEFJ-UHFFFAOYSA-N 404.521 3.076 0 40 HGAB COc1ccc(-n2ccnc(SCC(=O)NCc3ccccc3)c2=O)cc1Cl 4853010 JRZMOPSJIBYBMH-UHFFFAOYSA-N 415.902 3.303 0 40 HGAB CC(C)(C)NC(=O)[C@H](c1ccncc1)N(C(=O)c1csnn1)c1ccccc1F 4858778 AFUOFFKVRNTVLU-KRWDZBQOSA-N 413.478 3.375 0 40 HGAB COc1ccc(S(=O)(=O)Nc2cc(Cl)c(N)c(Cl)c2)cc1NC(C)=O 5109723 XEEPTUMXSVNSBM-UHFFFAOYSA-N 404.275 3.343 0 40 HGAB CN(C)c1ccc(NC(=O)C(=O)NC[C@H](c2ccco2)N2CCc3ccccc32)cc1 5152866 QZODPGUILFWTJD-OAQYLSRUSA-N 418.497 3.204 0 40 HGAB Cc1ccc(SCC(=O)Nc2nnc(-c3ccccc3S(C)(=O)=O)o2)cc1 5240500 PAOJTDGKJGWHPS-UHFFFAOYSA-N 403.485 3.179 0 40 HGAB Cc1cc(C)n(-c2nc(-c3ccccc3)cc(=O)n2CC(=O)N(C)c2ccccc2)n1 5254873 RJHMTRSBEVYUTJ-UHFFFAOYSA-N 413.481 3.376 0 40 HGAB COCCN(CCOC)C(=O)c1cnc2c(c(C)nn2-c2ccccc2)c1Cl 5313633 RHSMTFASFRSGGY-UHFFFAOYSA-N 402.882 3.117 0 40 HGAB COc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4cccnc4)C3=O)c2C)cc1 6961775 WNAKSXBQKQOJQS-UDWIEESQSA-N 416.437 3.164 0 40 HGAB O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)Nc1nnc(C2CC2)s1 8265742 GEYMPLLWBAMKEP-UHFFFAOYSA-N 409.496 3.493 0 40 HGAB CNC(=O)c1ccc(NC(=O)c2ccc(OCc3c(C)noc3C)c(OC)c2)cc1 8423886 DSDNHROPDTUXKN-UHFFFAOYSA-N 409.442 3.491 0 40 HGAB COc1ccccc1NC(=O)c1nc(S(=O)(=O)Cc2ccccc2)ncc1Cl 8916923 VXZKGQAIVGUCNP-UHFFFAOYSA-N 417.874 3.365 0 40 HGAB O=C(CCCn1nnc2ccccc2c1=O)NCCc1c[nH]c2ccc(Cl)cc12 9306443 HOEHSJQITJNAEE-UHFFFAOYSA-N 409.877 3.065 0 40 HGAB O=C(NCCCSc1ccccc1)C1CCN(S(=O)(=O)c2cccs2)CC1 9909903 SZKKBMVNNHVNFG-UHFFFAOYSA-N 424.613 3.447 0 40 HGAB O=C(NN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)c1ccc2c(c1)CCC2 9952299 MQXQLNDARLCXNR-UHFFFAOYSA-N 411.461 3.316 0 40 HGAB Cc1ccc(C(=O)Nc2ccccc2C(=O)N2CCCCC2)cc1NS(C)(=O)=O 10112898 CHWDJHDPNRKBST-UHFFFAOYSA-N 415.515 3.245 0 40 HGAB Cc1ccc2c(c1)C(=O)N(CC(=O)N1[C@H](C)CCC[C@H]1C)CC1(CCOCC1)O2 12086894 MTIXEKMDFWSGLE-QZTJIDSGSA-N 400.519 3.168 0 40 HGAB Cc1cc(-c2cnc(N3CCCC3)nc2C2CCN(c3cc(C)nc(N)n3)CC2)on1 12232665 JHTIWHHFHQDPDQ-UHFFFAOYSA-N 420.521 3.105 0 40 HGAB COc1cccc(C2=NN(C(=O)CCC(=O)O)[C@H](c3ccc4nccnc4c3)C2)c1 12420778 RHHUTSZIFGBJNR-FQEVSTJZSA-N 404.426 3.181 0 40 HGAB Cc1cc(C)nc(SCc2nnc(SCC(=O)Nc3ncc(C)s3)o2)n1 12490478 HFUFRTSKKJLWLQ-UHFFFAOYSA-N 408.534 3.264 0 40 HGAB COc1cc(OC)cc(C(=O)N2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)c1 12749827 BVTLPTURVXKGKD-UHFFFAOYSA-N 411.454 3.210 0 40 HGAB C[C@H](NC(=O)c1cc(Cl)c2c(c1)OCCCO2)c1ccc(S(C)(=O)=O)cc1 12776413 UWFRCHUIXOOLHR-LBPRGKRZSA-N 409.891 3.396 0 40 HGAB CCOc1ccccc1OCC(=O)Nc1c(C(=O)N2CCOCC2)oc2ccccc12 12807541 ZHPGIORNTYXKOR-UHFFFAOYSA-N 424.453 3.321 0 40 HGAB CC[C@@H]1c2ccsc2CCN1S(=O)(=O)c1cc(C(=O)OC)cc(C(=O)OC)c1 12928394 ZVUSZXSIWIQIDJ-MRXNPFEDSA-N 423.512 3.019 0 40 HGAB COc1ccc(-c2csc(CN3C(=O)c4ccccc4S3(=O)=O)n2)c(OC)c1 12998313 ULTIQOGFONDQPQ-UHFFFAOYSA-N 416.480 3.172 0 40 HGAB COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3nc(CCCO)nn32)cc1 13123520 OBAFGHPNKQGMRQ-NRFANRHFSA-N 419.485 3.139 0 40 HGAB CCN(CC)CN1C(=O)[C@@]2(c3ccccc31)c1[nH]c3ccccc3c1CCN2C(C)=O 13635451 QQQQKVXZASFDRD-RUZDIDTESA-N 416.525 3.462 0 40 HGAB O=S1(=O)c2ccccc2[C@H](O)[C@H](Cc2cccnc2)N1CCCc1ccccc1 13693517 WDIRFMQKHHEAPU-GMAHTHKFSA-N 408.523 3.363 0 40 HGAB CCOC(=O)Cn1c(=O)n2nc(Cc3ccccc3)nc2c2c3c(sc21)CCCC3 13721420 JYRBNJSKMWGWCB-UHFFFAOYSA-N 422.510 3.138 0 40 HGAB COc1ccc(-c2ccc(=O)n(CCCNC(=O)Nc3ccc(F)cc3F)n2)cc1 13800817 FCFZMBYKRSVREI-UHFFFAOYSA-N 414.412 3.409 0 40 HGAB C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)N(C)Cc1nc(=O)c2ccccc2[nH]1 14926013 UUFLTPZYIZACSM-LBPRGKRZSA-N 404.392 3.401 0 40 HGAB Cc1ccc(S(=O)(=O)N2c3ccc(C(=O)NC[C@H]4CCCO4)cc3C[C@H]2C)cc1 15453083 JEAWFUNEALEXSJ-VQIMIIECSA-N 414.527 3.044 0 40 HGAB Cc1cc(F)ccc1S(=O)(=O)NCCc1csc2nc(-c3cccs3)nn12 15783875 BFUVMLUCQFPAKO-UHFFFAOYSA-N 422.532 3.488 0 40 HGAB Cc1ccc(-c2cccc(C[C@@]3(C(N)=O)CN(C(=O)C4CCCC4)CCO3)c2)cc1 19212646 RFQRHZRYECMQAP-VWLOTQADSA-N 406.526 3.478 0 40 HGAB O=C(CCOc1ccc(Cl)cc1)N1CCO[C@@H](c2nc(-c3cccnc3)no2)C1 19341054 HSZCJPNMNHHRHU-QGZVFWFLSA-N 414.849 3.154 0 40 HGAB O=C(C1CCCC1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)CN(Cc1ccccc1F)CC2 19349258 CBAVOVHQKUXOBW-NRFANRHFSA-N 424.520 3.321 0 40 HGAB CC(C)n1cnc2cc(C(=O)N3CCO[C@@H](c4nc(-c5ccncc5)no4)C3)ccc21 19455004 JYLMIZHTDJBBSZ-LJQANCHMSA-N 418.457 3.276 0 40 HGAB CCN1CCN(C(=O)c2ccn(C)n2)C[C@H](Cc2ccc(-c3cccs3)cc2)C1=O 19527433 DZWZTPKQZCUENH-IBGZPJMESA-N 422.554 3.312 0 40 HGAB CN(C)c1ncc(-c2ccc(F)cc2)c([C@@H]2CCCCN2C(=O)Cn2cccn2)n1 19694649 GTXQRHMYGYRWLQ-IBGZPJMESA-N 408.481 3.299 0 40 HGAB CN(C)c1ncc(-c2cnn(C)c2)c([C@H]2CCCCN2C(=O)Cc2ccccc2)n1 19694836 FASNDHULJGYWGN-HXUWFJFHSA-N 404.518 3.239 0 40 HGAB Cc1nc([C@H]2CCCCN2Cc2cnn(C)c2)ncc1C(=O)NCc1ccc(F)cc1 19764408 MWPGIGLRINFPGV-OAQYLSRUSA-N 422.508 3.315 0 40 HGAB O=C(C[C@@H]1C(=O)N(Cc2ccco2)c2nc3ccccc3n21)NCc1ccccc1 19817633 GPZVXOKHNTZEOS-HXUWFJFHSA-N 400.438 3.424 0 40 HGAB CCOC(=O)[C@@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@H]1c1ccccc1C 20802300 OTUGDHOEYBEFJI-PMACEKPBSA-N 407.470 3.106 0 40 HGAB Cc1cccc(C)c1NC(=O)CN1CCN(Cc2nnc(-c3ccccc3)o2)CC1 20810473 IBVGKPAGJYSOOJ-UHFFFAOYSA-N 405.502 3.110 0 40 HGAB Cc1cccc(S(=O)(=O)NC[C@H](c2cccn2C)N2CCc3ccccc3C2)c1 21153600 FKCIRRVIBJHYOP-HSZRJFAPSA-N 409.555 3.411 0 40 HGAB CCOc1ccc(N(CC(=O)N[C@@H](C)c2ccc(C)cc2C)S(C)(=O)=O)cc1 22333417 LXWBIDPUZUQHST-KRWDZBQOSA-N 404.532 3.346 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)[C@@H](C)Oc1cccc(C)c1 22508931 HCMWXPSVFJDDOE-MRXNPFEDSA-N 418.515 3.194 0 40 HGAB COc1cccc([C@]2(C)NC(=O)N(C[C@@H](O)COc3ccc4ccccc4c3)C2=O)c1 24086970 JDJQIGWCLHCYNA-DVECYGJZSA-N 420.465 3.055 0 40 HGAB NC(=O)N[C@H](CC(=O)NCc1ccccc1Cn1ccnc1)c1ccc(Cl)cc1 24437511 TUKQUHGFQWUNDM-LJQANCHMSA-N 411.893 3.001 0 40 HGAB CC(=O)c1cccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccc(F)cc3)CC2)c1 24610114 WKAYSHDPBPSNOE-UHFFFAOYSA-N 418.490 3.209 0 40 HGAB COc1ccc(OC)c(CN(C(=O)[C@@H]2CN(C(C)=O)c3ccccc3O2)C2CC2)c1 25808108 QMAPOACXQBGBIP-QFIPXVFZSA-N 410.470 3.009 0 40 HGAB COC(=O)c1ccc(Cl)c(S(=O)(=O)N[C@H](C)c2cc(OC)ccc2OC)c1 27959719 GQHXGYUJIGSZLV-LLVKDONJSA-N 413.879 3.183 0 40 HGAB CCCNS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)CCCC3)cc1 32759721 QHGLQBBMUNIHIK-UHFFFAOYSA-N 408.545 3.055 0 40 HGAB C[C@H]1CN(Cc2ccc(C(=O)OCC(=O)Nc3ccc(Cl)cn3)cc2)C[C@@H](C)O1 32936234 CEBSLPIUNPNDQP-GASCZTMLSA-N 417.893 3.140 0 40 HGAB CCC[C@@H](C)NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1cc(C)ccc1OC 33697103 NSAKSPANYIVMHR-GOSISDBHSA-N 418.559 3.499 0 40 HGAB Cc1ccc2c(CC(=O)N3CCN(CC(=O)N4CCCCCC4)CC3)coc2c1C 35392776 GGNVBJKBLLXCPR-UHFFFAOYSA-N 411.546 3.139 0 40 HGAB Cc1sc2nc(CSCC(=O)Nc3nnc(C4CC4)s3)[nH]c(=O)c2c1C 36356959 FTUMEMYYUAVSRC-UHFFFAOYSA-N 407.546 3.202 0 40 HGAB Cc1nn(-c2ccccc2)cc1CCCNC(=O)[C@@H]1CCCN(C(=O)N2CCCC2)C1 48275282 SEJZPMHUSCMSIN-OAQYLSRUSA-N 423.561 3.157 0 40 HGAB O=C(C1=NN(Cc2cccc(Cl)c2)c2ccccc2S1(=O)=O)N1CCCC1 49402502 KZUZAWRVPQBYHA-UHFFFAOYSA-N 403.891 3.070 0 40 HGAB C[C@@H]1C[C@@H](C)CN(C(C)(C)CNC(=O)CCC(=O)N2CCC(c3ccccc3)=N2)C1 53303619 OBAXFBAGZNPTAE-RTBURBONSA-N 412.578 3.276 0 40 HGAB O=C(OCCOc1ccc(Cl)cc1)c1cccnc1S(=O)(=O)C(F)(F)F 58017579 LLPSUXXYYMIDJZ-UHFFFAOYSA-N 409.769 3.264 0 40 HGAB C[C@H](SCc1ccccc1)C(=O)N1CCN(c2ncc(Br)cn2)CC1 58045348 SZBLUFYVDGODHR-AWEZNQCLSA-N 421.364 3.210 0 40 HGAB CC(C)Cn1nc(C(=O)N2CCC(c3n[nH]c(C4CC4)n3)CC2)c2ccccc2c1=O 58225053 JHRBOWRQOMVSBO-UHFFFAOYSA-N 420.517 3.068 0 40 HGAB CCN(CC)CCOc1ccc(C(=O)N2CCC[C@H]2c2nnc3ccccn23)cc1 59336030 WYBBDKAXWZNHTP-FQEVSTJZSA-N 407.518 3.427 0 40 HGAB COc1ccc(CCC(=O)N2CCC[C@@H](c3ncncc3-c3noc(C)n3)C2)cc1 72356114 NWTPROWUXWSFAK-QGZVFWFLSA-N 407.474 3.182 0 40 HGAB CNC(=O)c1ccc(CN(C)C(=O)c2cnc(C)c(Cl)c2Br)cc1 95444484 MLXGMPXFBGUKFD-UHFFFAOYSA-N 410.699 3.438 0 40 HGAB Brc1cc2c(cc1CN1CCC[C@@H](Cn3cncn3)C1)OCCCO2 95464606 QLAZYAKDRMXELD-CQSZACIVSA-N 407.312 3.114 0 40 HGAB Cc1ccc(C(=O)[C@@H]2[C@H]3C(=O)N(c4cc(C)cc(C)c4)C(=O)[C@@H]3[C@H]3CCCN23)cc1 101345989 IWNOZIKSIZMADR-CZYKHXBRSA-N 402.494 3.447 0 40 HGAB O=C(N[C@H]1CCN(c2ccc(C(F)(F)F)cn2)C1)c1cc2ccccc2oc1=O 206786308 CSKPHNUDFSOKHM-AWEZNQCLSA-N 403.360 3.216 0 40 HGAB O=C(O)[C@H](Cc1c[nH]c2ccccc12)NCc1cnc(NCc2ccccc2)nc1 218762527 JAPDHYFFPBDDGT-NRFANRHFSA-N 401.470 3.356 0 40 HGAB CCOc1ccccc1NC(=O)CN(c1cccc(OC(C)C)c1)S(C)(=O)=O 220101025 HNTAZTALQKSWGK-UHFFFAOYSA-N 406.504 3.277 0 40 HGAB CCOc1ccccc1CCCNC(=O)[C@@H](C)N(c1cccc(C)c1)S(C)(=O)=O 220142312 PLENJRLGYXNDLQ-GOSISDBHSA-N 418.559 3.297 0 40 HGAB COc1ccc(OC)c(N([C@@H](C)C(=O)Nc2c(C)cccc2C)S(C)(=O)=O)c1 220205864 LAKHLAGYYMPYSG-HNNXBMFYSA-N 406.504 3.114 0 40 HGAB CC[C@H](C(=O)NCCCc1ccc(F)cc1)N(c1cccc(C)c1)S(C)(=O)=O 220515877 JLVQRNJWQWIKBB-HXUWFJFHSA-N 406.523 3.428 0 40 HGAB CC[C@@H](C(=O)Nc1cccc(C(C)=O)c1)N(c1ccc(OC)cc1)S(C)(=O)=O 220647934 LIOLTAOOOSPIDL-IBGZPJMESA-N 404.488 3.081 0 40 HGAB CS(=O)(=O)N(CC(=O)NCc1cccc2ccccc12)Cc1ccccc1F 222896291 GIMJFGKEIYIIFW-UHFFFAOYSA-N 400.475 3.057 0 40 HGAB Cc1ccc([C@H](C)NS(=O)(=O)c2nnc(NC(=O)c3ccccc3)s2)cc1C 223234593 GTJRCJZITXZBSL-AWEZNQCLSA-N 416.528 3.447 0 40 HGAB C[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N(C)Cc1ccc(Cl)cc1 223994334 MWBOAYPTQYHYLC-CQSZACIVSA-N 410.923 3.162 0 40 HGAB COc1ccc(Cl)cc1C[C@@H](C(=O)O)N(C)S(=O)(=O)c1ccc(Cl)cc1 225165943 NYKABMAXQXFOGU-HNNXBMFYSA-N 418.298 3.318 0 40 HGAB Cc1cc(Nc2ncccn2)cc([C@H]2CCN(CC(=O)Nc3ccc(F)cc3)C2)n1 257200757 AEUHNRJRFZKOJR-INIZCTEOSA-N 406.465 3.491 0 40 HGAB Cc1cc(-c2ccc(F)cc2)cc([C@@H]2CCCN(C(=O)Cn3cccnc3=O)C2)n1 257320038 VVBXJQQQKPTNST-GOSISDBHSA-N 406.461 3.159 0 40 HGAB COc1ccc2c(c1)[C@H]1[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3[C@H]2N1C(=O)C(C)(C)C 261829878 XCNLNARRXZIKMF-YRPNKDGESA-N 404.466 3.485 0 40 HGAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)N[C@@H](C)CCc2ccccc2)cc1C 408602771 FPBCYDFUWUTWGO-ZWKOTPCHSA-N 418.559 3.198 0 40 HGAB COc1cccc(CNC(=O)c2ccccc2NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2C)c1 408710235 UCKDQFRXLMSSPI-OXJNMPFZSA-N 423.513 3.259 0 40 HGAB COc1ccc(C2(NC(=O)c3ccc(S(=O)(=O)NC(C)(C)C)cc3)CC2)cc1 517570098 UPMMUKVMMDSRDI-UHFFFAOYSA-N 402.516 3.191 0 40 HGAB CC1(C)CCC(NC(=O)c2ccn(-c3cccc(Br)c3)n2)(C(N)=O)CC1 535494111 USVZCORQNHPCNC-UHFFFAOYSA-N 419.323 3.189 0 40 HGAB Cc1cc(Br)ccc1CC(=O)N1CCC(O)(Cc2ccncc2)CC1 539923102 LCSXUXIKMPXPNI-UHFFFAOYSA-N 403.320 3.291 0 40 HGAB CC(C)(NC(=O)C(C)(C)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 722987230 RVZDLBMKWJAFHK-UHFFFAOYSA-N 410.470 3.283 0 40 HGAB Cc1ccc(NC(=O)COC(=O)[C@@H]2CCC(=O)N2Cc2ccc(Cl)cc2)cc1 1775966464 GARGUVVLLAWGNH-SFHVURJKSA-N 400.862 3.321 0 40 HGAB CC(C)(C)c1cn2nc(OCC3CCN(C(=O)c4ccc(O)nc4)CC3)ccc2n1 1888882022 RJKGWNHVNKROGI-UHFFFAOYSA-N 409.490 3.059 0 40 HGAB O=C(/C=C/c1ccccc1)Nc1cccc(C(=O)NN2C(=O)c3ccccc3C2=O)c1 1010626 QOIRQAZBGSNXOI-BUHFOSPRSA-N 411.417 3.280 0 40 HGAB Cc1ccc(-n2nnnc2SCC(=O)Nc2ccc(Br)cc2)cc1 1440127 CRFVNHZRMKASQP-UHFFFAOYSA-N 404.293 3.464 0 40 HGAB O=C(Nc1nc2c(s1)CCCC2)c1ccc(S(=O)(=O)N2CCCCC2)cc1 1507503 YGTGGWLQFDJRDT-UHFFFAOYSA-N 405.545 3.449 0 40 HGAB CC(C)Oc1cccc(-c2nnc(SCC(=O)Nc3cccc(F)c3)n2N)c1 2335555 AMNNXLBPXGZMTE-UHFFFAOYSA-N 401.467 3.316 0 40 HGAB CCO[P@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1cc(OC)c(OC)c(OC)c1 2371669 QNJGCBSAJXWUHN-WTYVLRPYSA-N 409.419 3.409 0 40 HGAB COc1cc(NC(=O)CSc2nc3sc(C)c(C)c3c(=O)n2C)cc(OC)c1 2379070 GBAPQKULPLGPAG-UHFFFAOYSA-N 419.528 3.360 0 40 HGAB Cc1cccc2[nH]c3c(N4CCN(Cc5ccc6c(c5)OCO6)CC4)ncnc3c12 2439810 WYDRULQOXHJNHU-UHFFFAOYSA-N 401.470 3.470 0 40 HGAB Cc1cc(C)c(C)c(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)NC2CC2)c1C 2632807 ZNUHJRKQKLSTRN-NRFANRHFSA-N 412.555 3.314 0 40 HGAB O=C(c1ccco1)N1CCN(C(=O)c2cc(-c3ccccn3)nc3ccccc23)CC1 3292872 LYKXDSZNEZEZDR-UHFFFAOYSA-N 412.449 3.488 0 40 HGAB CCCCNC(=O)NS(=O)(=O)c1ccc(NC(=O)CCc2ccccc2)cc1 3341276 FQHUNWCECLJQFJ-UHFFFAOYSA-N 403.504 3.046 0 40 HGAB CCC(=O)Nc1ccc(C(=O)CN2C(=O)N[C@]3(CCCc4ccccc43)C2=O)cc1 3457775 IQGCMDFXYXPAQQ-QHCPKHFHSA-N 405.454 3.001 0 40 HGAB CCOC(=O)c1c(NC(=O)CSc2nnc3ccccn23)sc(C(C)=O)c1C 3505471 XSBBXULSWPFHNQ-UHFFFAOYSA-N 418.500 3.209 0 40 HGAB COc1ccc(S(=O)(=O)N(C(=O)C(C)C)c2ccc3oc(=O)sc3c2)cc1 3654190 GZLHLLZGYGLBJC-UHFFFAOYSA-N 407.469 3.241 0 40 HGAB COc1ccc([C@@H]2CC(=O)c3cnc(NC(=O)COc4ccccc4)nc3C2)cc1 4776910 LCJDPDMZJXRSHL-INIZCTEOSA-N 403.438 3.415 0 40 HGAB C[C@@H]1Cc2ccccc2N1C(=O)Cn1c(SCC(=O)N(C)C)nc2ccccc21 4859161 SRLFKGMFESWEJF-OAHLLOKOSA-N 408.527 3.194 0 40 HGAB COc1ccc(-n2c(=O)c3ccccc3n(CC(=O)c3ccccc3)c2=O)cc1OC 4905235 SYYKRAQBQZIAAU-UHFFFAOYSA-N 416.433 3.053 0 40 HGAB O=C(COC(=O)c1ccc2ccccc2c1O)NC(=O)NC12CC3CC(CC(C3)C1)C2 5039300 VNMFZSBUVCFABH-UHFFFAOYSA-N 422.481 3.497 0 40 HGAB C[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)Nc3ncnc4sccc34)cc2)C1 5299448 JVPMXXUERDFTHO-ZDUSSCGKSA-N 416.528 3.364 0 40 HGAB C[C@@H](CNC(=O)CSc1nc2sc3c(c2c(=O)n1C)CCC3)c1ccccc1 5570731 FCPYMZVPYYYECO-ZDUSSCGKSA-N 413.568 3.496 0 40 HGAB CCOC(=O)c1ccc(NC(=O)[C@H](C)N(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1 6206757 DRROENADUIDRSI-INIZCTEOSA-N 418.515 3.273 0 40 HGAB COc1ccc(C(=O)N[C@@H](C(=O)OCC(=O)c2ccc(C)cc2)C(C)C)cc1OC 6233756 PGPZDNRSBSOZOW-OAQYLSRUSA-N 413.470 3.193 0 40 HGAB COc1ccc(NC(=O)COC(=O)Cn2c(C(F)(F)F)nc3ccccc32)cc1 6650207 CGQLWIJGCNRRGW-UHFFFAOYSA-N 407.348 3.246 0 40 HGAB O=C(COc1ccc(S(=O)(=O)NC2CCCCC2)cc1)Nc1ccc(F)cc1 6889144 PUGDVZGNIWKLHM-UHFFFAOYSA-N 406.479 3.454 0 40 HGAB Cc1occc1-c1nnc(SCC(=O)N2c3ccccc3NC(=O)C[C@H]2C)n1C 7217192 CHZXUJQECNIJCI-GFCCVEGCSA-N 411.487 3.240 0 40 HGAB CCCCOC(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2C)cc1 7771812 YMUPNYGSYQYAGC-UHFFFAOYSA-N 418.515 3.455 0 40 HGAB COc1ccc(CC[C@]2(C)NC(=O)N(Cc3nc(-c4ccsc4)no3)C2=O)cc1 7831986 WXXUHUYLYYICMU-FQEVSTJZSA-N 412.471 3.250 0 40 HGAB O=C(NCc1ccco1)[C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(CC2CCCCC2)nn1 8298592 CDRZHQMEPJKFJE-UZKOGDIHSA-N 411.550 3.021 0 40 HGAB biogenic,in-vitro COc1ccccc1NC(=O)COC(=O)CCCC(=O)Nc1cccc(C(C)=O)c1 8417023 QBTXPMNMHIWMAV-UHFFFAOYSA-N 412.442 3.189 0 40 HGAB Cc1cccc(N2C(=O)N(c3cccc(Br)c3)[C@H]3CS(=O)(=O)C[C@H]32)c1 8828028 KWNCWKOSRRULPN-SJORKVTESA-N 421.316 3.370 0 40 HGAB COC(=O)[C@@H](NC(=O)[C@@H](CCSC)NC(=O)C1CCC(C(C)C)CC1)C(C)C 9195372 UNDRKYUJVWENLP-HIEASXQVSA-N 414.612 3.001 0 40 HGAB Cc1csc(CC(=O)N2CCN(c3nc(C(F)(F)F)nc4ccccc34)CC2)n1 9665693 GZJWFGGWSXYIPY-UHFFFAOYSA-N 421.448 3.305 0 40 HGAB Cc1ccc(O[C@H](C)C(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)cc1 10215282 FKNAPVADJCLSNO-MRXNPFEDSA-N 410.470 3.368 0 40 HGAB CCOc1ccc(-c2nnc(O)c3c2[C@H](c2ccc(C)cc2)n2nnnc2N3)cc1 10295725 IDQGJJCVBXCKKQ-IBGZPJMESA-N 401.430 3.238 0 40 HGAB COc1ccc(CCNC(=O)[C@@H](C)N(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1 10360264 KRCHUHDEHFRVNT-OAHLLOKOSA-N 424.950 3.170 0 40 HGAB Nc1nc(COC(=O)c2ccc3c(c2)OCC(=O)N3)nc2sc3c(c12)CCCCC3 10536227 HIWPGGXCYKYTBH-UHFFFAOYSA-N 424.482 3.230 0 40 HGAB CCOc1cn(-c2ccc(F)cc2)nc1C(=O)N1CCN(c2ccccc2OC)CC1 11694327 OTRMIOQQKSTKIM-UHFFFAOYSA-N 424.476 3.381 0 40 HGAB COc1ccc(NC(=O)c2cc(S(N)(=O)=O)ccc2C)cc1Cc1ccccc1 12042719 SQSPYSQTYOKSGB-UHFFFAOYSA-N 410.495 3.494 0 40 HGAB COCc1cc(N2CCCC2)nc(C2=CCN(C[C@H](O)c3ccc(OC)cc3)CC2)n1 12185802 DZZHDKNEUOPBRE-QFIPXVFZSA-N 424.545 3.055 0 40 HGAB Cc1ccc(CNC(=O)C2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)cc1F 12489293 MFDGPYMSULKNRX-SDNWHVSQSA-N 416.518 3.463 0 40 HGAB O=C(NCc1ccc(Cn2cccn2)cc1)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 12626561 ZBMGWKTXSWPJLP-OAQYLSRUSA-N 420.488 3.239 0 40 HGAB Cc1cc(N2CCN([C@H](C)C(=O)N[C@@H](C)c3ccc(F)cc3)CC2)nc(C(C)C)n1 12746619 QQXKWTJGMZDCJK-ZWKOTPCHSA-N 413.541 3.435 0 40 HGAB C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)NCCNC(=O)c1ccco1 12746900 KEUCHGZDUGLOQS-SNVBAGLBSA-N 415.671 3.009 0 40 HGAB CC(=O)Nc1ccc(NC(=O)c2ccccc2S(=O)(=O)N2CCCCC2)cc1 12767310 SJVPNOJWRDMHPR-UHFFFAOYSA-N 401.488 3.072 0 40 HGAB Cc1cccc(-c2nnc(S[C@H](C(N)=O)c3ccc(F)cc3)n2CCC(=O)O)c1 12779068 KSWOGTCNQYSMOF-KRWDZBQOSA-N 414.462 3.186 0 40 HGAB Cc1ccc(NC(=O)CNc2cccc(S(=O)(=O)N3CCCC3)c2)cc1Cl 13057925 SPIUCXGHXYEIRD-UHFFFAOYSA-N 407.923 3.484 0 40 HGAB CCOC(=O)c1[nH]c(CSCC(=O)NCc2cccs2)c(C(=O)OCC)c1C 13135151 LKJQTJAULBUDRW-UHFFFAOYSA-N 424.544 3.288 0 40 HGAB CC[C@H](C)NC(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1 13678521 VQSFIQRGSIHYDW-LBPRGKRZSA-N 407.363 3.450 0 40 HGAB CNS(=O)(=O)c1ccc(Cl)c(C(=O)OCc2ccccc2Br)c1 14065272 XNVMOSZXXQBYES-UHFFFAOYSA-N 418.696 3.368 0 40 HGAB O=C(NCC1(N2CCOCC2)CCCCC1)c1ccc(OCc2cscn2)cc1 14120055 AKVUCBUYHGPYSR-UHFFFAOYSA-N 415.559 3.487 0 40 HGAB COC(=O)c1cccc(NC(=O)CSc2nnc(COc3ccccc3F)o2)c1 14152697 PGHCUBKLEHGWKB-UHFFFAOYSA-N 417.418 3.305 0 40 HGAB CCC[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)NCCc1ccc(OC)cc1 14260221 ICRUGBBFSAYFJL-FQEVSTJZSA-N 401.482 3.161 0 40 HGAB CCN(C(=O)[C@@H](C)Sc1nc2cc(Cl)ccc2s1)[C@H]1CCS(=O)(=O)C1 15800140 LQHMLFSGPDRQCC-PWSUYJOCSA-N 418.993 3.466 0 40 HGAB Cc1ccc(NC(=O)COc2cccc3ccc(N4CCC(C(N)=O)CC4)nc23)cc1 17042073 DPBNFELSIPACBQ-UHFFFAOYSA-N 418.497 3.262 0 40 HGAB O=C(NCCn1nc(-c2ccc(F)cc2)ccc1=O)c1ccc(C(F)(F)F)cc1 17156581 JFRBUVSSPZWJIJ-UHFFFAOYSA-N 405.351 3.498 0 40 HGAB COc1ccc(C(C)=O)cc1CC(=O)N1CCC(c2nn(C)c3ncccc23)CC1 19023145 AFCOUBTWNXIEIZ-UHFFFAOYSA-N 406.486 3.128 0 40 HGAB COC(=O)c1ccc(CN(Cc2ccncc2)[C@@H]2COC[C@H]2Cc2cc(C)no2)cc1 19120603 WYQSXGJRJMTAPA-FYYLOGMGSA-N 421.497 3.425 0 40 HGAB O=C(CCOc1ccc(Cl)cc1)N1CCO[C@H](c2nc(-c3cccnc3)no2)C1 19341058 HSZCJPNMNHHRHU-KRWDZBQOSA-N 414.849 3.154 0 40 HGAB O=C1CC[C@]2(CCCN(C(=O)C[C@H]3NC(=O)c4ccccc43)[C@@H]2c2cccc(F)c2)N1 19375046 REBYDLXTRCAECG-CKUXNOBLSA-N 421.472 3.013 0 40 HGAB COCCN1Cc2cccc(C(=O)N[C@H](c3ccncc3)c3cccs3)c2C1=O 19593446 NLFZWRLCECEBEF-HXUWFJFHSA-N 407.495 3.265 0 40 HGAB CN(C)C(=O)C1(Cc2cccc(-c3cncnc3)c2)CCN(C(=O)C2CCC2)CC1 19700358 BOPXYXZOQIVKIU-UHFFFAOYSA-N 406.530 3.183 0 40 HGAB COc1ccc(CCC(=O)N2CCC[C@@H](c3ccc(C(=O)N(C)C)cn3)C2)cc1C 19705899 MICFKLXUEOPZCW-HXUWFJFHSA-N 409.530 3.439 0 40 HGAB CCOc1cccc(-c2c3c(nc4nc(N5CCOCC5)nc(N)c24)CCCC3=O)c1 20673552 YQAUXELSWAUEBI-UHFFFAOYSA-N 419.485 3.028 0 40 HGAB C[C@@H](Sc1nnc(C2CC2)n1Cc1ccco1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 22040400 FRULPFBFVPWVON-LLVKDONJSA-N 424.486 3.086 0 40 HGAB Cc1cc(Cl)ccc1N(CC(=O)NCCCc1ccc(F)cc1)S(C)(=O)=O 22336545 BBSAPYWXWNJQDB-UHFFFAOYSA-N 412.914 3.303 0 40 HGAB Cc1ccc(-c2cc(C(=O)NC[C@H](c3ccc(C)o3)N3CCN(C)CC3)no2)cc1 22938489 XKCANDMMFQLQMX-HXUWFJFHSA-N 408.502 3.270 0 40 HGAB CCc1ccc(-c2noc(CCC(=O)NC3CCN(C(=O)c4ccoc4)CC3)n2)cc1 25520052 ZLRFSXDHMKGPJO-UHFFFAOYSA-N 422.485 3.246 0 40 HGAB CSc1nc(C)c(CCC(=O)N2CCC[C@@H](c3nc4ccccc4o3)C2)c(=O)[nH]1 27379369 QBKZOJXFXWIAIR-CQSZACIVSA-N 412.515 3.280 0 40 HGAB O=C(OCc1cc(-c2ccccc2)no1)c1ccc(F)c(S(=O)(=O)NC2CC2)c1 31276915 ZYQDFMUTRKJBAM-UHFFFAOYSA-N 416.430 3.278 0 40 HGAB CNS(=O)(=O)c1cc(C(=O)Nc2ccccc2-n2nc(C)cc2C)cc(C)c1C 31599957 FQCJXZNRGYLLRV-UHFFFAOYSA-N 412.515 3.266 0 40 HGAB O=C(NCc1cccc(Oc2ccccc2)c1)C1=NN(c2ccccc2)C(=O)CN1 32362812 WDZMBJUOPZVXIA-UHFFFAOYSA-N 400.438 3.045 0 40 HGAB COc1ccc(Cl)cc1C(=O)Nc1nc2ccccc2n1CCN1CCOCC1 32501870 IBEYZLWJRAGQSA-UHFFFAOYSA-N 414.893 3.283 0 40 HGAB CCC(=O)N1CCN(c2ccc(Cl)cc2NC(=S)NC(=O)CC(C)C)CC1 33667111 SPEYSKUMRFSMGC-UHFFFAOYSA-N 410.971 3.258 0 40 HGAB Cc1cc(C)cc(OCC(=O)N2CCN(CC(=O)Nc3ccccc3Cl)CC2)c1 34873388 PMTUMWMZJOJWBE-UHFFFAOYSA-N 415.921 3.119 0 40 HGAB Cc1cc([C@@H]2CCCN2C(=O)Cc2csc(NC(=O)c3ccoc3C)n2)on1 40154752 VSCGDWDTSDZBFT-HNNXBMFYSA-N 400.460 3.499 0 40 HGAB CCN(C(=O)C(=O)NC1CCN(Cc2ccccc2)CC1)c1ccc(F)c(F)c1 58407776 HIPOVFBRIVERBB-UHFFFAOYSA-N 401.457 3.099 0 40 HGAB CN1CCC(N(C)C[C@H](NC(=O)NCCc2cccs2)c2ccccc2)CC1 58438140 SUGRCMSOTFJOOJ-NRFANRHFSA-N 400.592 3.357 0 40 HGAB CC(C)C(=O)NC[C@@H]1CCCN(Cc2nnc(-c3cccc(Br)c3)o2)C1 60361070 YSDFCNHIWOWXMQ-AWEZNQCLSA-N 421.339 3.483 0 40 HGAB CCCNc1nnc(S(=O)(=O)Cc2csc(-c3cccc(OC)c3)n2)s1 61041781 XHROGUBGAJLJNA-UHFFFAOYSA-N 410.546 3.466 0 40 HGAB CN(Cc1ccccc1)c1nc2ncn(CC(=O)Nc3cccc(F)c3)c(=O)c2s1 67225793 JWFJNYHMPPRJRZ-UHFFFAOYSA-N 423.473 3.267 0 40 HGAB COc1cc(CN2CCC3(CC2)C[C@]2(CO3)NC(=O)c3ccccc3N2)cc(OC)c1 72325417 KGOPSNXTURVMPV-XMMPIXPASA-N 423.513 3.011 0 40 HGAB Cn1nc([C@@H]2CCCN(C(=O)c3ccc(Cl)s3)C2)n(-c2ccccc2)c1=O 77100593 ZPPHNCIDVWFOSZ-CYBMUJFWSA-N 402.907 3.306 0 40 HGAB O=C(CCn1ncc(=O)c2ccccc21)N(Cc1ccccc1)C[C@@H](O)c1ccco1 79054241 ZCXIESNHCQZBPI-JOCHJYFZSA-N 417.465 3.142 0 40 HGAB COc1ccc([C@@H](C)NC(=O)c2ccc(-n3cncn3)cc2)cc1Cn1cccn1 84647851 BHAHBUXAIGEMJO-MRXNPFEDSA-N 402.458 3.012 0 40 HGAB CCN1CC[C@]2(CN(CC(C)C)CC23CCN(C(=O)c2cccc(C)c2)CC3)C1=O 96144323 GNBZIARQVCCLHJ-VWLOTQADSA-N 411.590 3.428 0 40 HGAB CCCCN(C)C(=O)c1ncn2c(C3CCN(C(=O)C4CCCC4)CC3)ccnc12 96155721 ZFMCBXHYJCRISK-UHFFFAOYSA-N 411.550 3.498 0 40 HGAB CCNC(=O)COc1ccc(CNc2cccc(N3CCN(CC4CC4)CC3)c2)cc1 97020057 WJDGYGQFWMRCGU-UHFFFAOYSA-N 422.573 3.346 0 40 HGAB COc1ccc(OC)c(NC(=O)c2ccc(N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)cc2)c1 102301454 NAVBNIBBUYWFSJ-ROUUACIJSA-N 406.438 3.412 0 40 HGAB O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Nc1ccnn1Cc1cccc(Cl)c1 102885267 SIUVADKCMAIPRW-IAGOWNOFSA-N 414.893 3.089 0 40 HGAB O=C(CCN1C(=O)[C@H]2CCCC[C@H]2C1=O)Nc1ccnn1Cc1ccccc1Cl 102953895 RZDUIFHGDJMWDM-IYBDPMFKSA-N 414.893 3.089 0 40 HGAB Cc1noc(-c2ccc(N3CCC[C@H](C(=O)N[C@H](C)CCc4ccco4)C3)nc2)n1 107098378 LHWXSWBYTAJISA-QAPCUYQASA-N 409.490 3.387 0 40 HGAB O=C(O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Br)cc1 113875004 OSBOJZFPLHEMFV-UHFFFAOYSA-N 404.669 3.382 0 40 HGAB COc1ccccc1N(CCCC(=O)N[C@H]1CCCc2ccccc21)S(C)(=O)=O 113967868 AHUNXMSQUZHVPN-IBGZPJMESA-N 416.543 3.435 0 40 HGAB Cc1cccc(CSCCNC(=O)CCCN(C)S(=O)(=O)c2ccccc2)c1 219713892 ZLDIJKFJCYAITP-UHFFFAOYSA-N 420.600 3.445 0 40 HGAB COc1ccc(Cl)cc1NC(=O)[C@H](C)N(c1ccc(F)c(F)c1)S(C)(=O)=O 220447315 VONLJABACFMBII-JTQLQIEISA-N 418.849 3.420 0 40 HGAB COc1ccc(-c2noc(CN(C)C(=O)CCc3ccc4c(c3)OCCO4)n2)cc1 222647563 YDKZXUVVXZKLBD-UHFFFAOYSA-N 409.442 3.108 0 40 HGAB CN(Cc1nc(-c2ccccc2)no1)S(=O)(=O)Cc1cccc(Br)c1 223656359 YXRYNKSFZINGQR-UHFFFAOYSA-N 422.304 3.461 0 40 HGAB COc1ccc(OC)c(CNS(=O)(=O)c2ccc(OC)c(Cl)c2Cl)c1 223717286 OSWZJSQAEVZMNA-UHFFFAOYSA-N 406.287 3.498 0 40 HGAB CC(C)c1ccccc1OCCNC(=O)CN(c1ccccc1Cl)S(C)(=O)=O 223756344 VPWCKUAYLGRPQW-UHFFFAOYSA-N 424.950 3.425 0 40 HGAB COc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1C(C)C 223875308 BVNWHMVCNMKTTL-AWEZNQCLSA-N 411.545 3.262 0 40 HGAB Cc1ccc(OCCNC(=O)CCCN(c2ccccc2F)S(C)(=O)=O)cc1C 224753663 RFSFLSDYNDTFTJ-UHFFFAOYSA-N 422.522 3.184 0 40 HGAB CCCSc1nnc(NC(=O)c2cc(NS(C)(=O)=O)ccc2Cl)s1 224950585 ZQRYTSJPOCFBQW-UHFFFAOYSA-N 406.942 3.317 0 40 HGAB COc1cccc([C@@H](CC(=O)O)NC(=S)Nc2ccc(Br)cn2)c1 225224784 CSYMXTPEMANLDQ-CYBMUJFWSA-N 410.293 3.355 0 40 HGAB COc1cc(OC)cc(OCC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC(C)C)c1 225469611 ZVWJXIOJAVUXPA-KRWDZBQOSA-N 414.502 3.025 0 40 HGAB COc1ccc(CCCNC(=S)Nc2ccc(C(=O)N(C)C)cc2)cc1OC 225628640 SGYGEJNYTXUAJM-UHFFFAOYSA-N 401.532 3.325 0 40 HGAB CC[C@@H](C)NC(=O)CN1[C@H]2CC[C@H]1c1cnc3cc(-c4ccc(OC)cc4)nn3c1C2 248145481 DSAGTCHPEMLMNS-KUDFPVQQSA-N 419.529 3.381 0 40 HGAB O=C(NCCn1cc(-c2ccccc2)cn1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 253471505 CZLMNMMVWCMYQP-QGZVFWFLSA-N 408.889 3.373 0 40 HGAB O=C(c1cccnc1)N1CCO[C@H](c2cc(CCOc3cccc(Cl)c3)[nH]n2)C1 257206336 BCXJNBNWOIYWQX-FQEVSTJZSA-N 412.877 3.293 0 40 HGAB COc1ccccc1[C@H]1CN(C(=O)C2(c3ccccc3F)CCOCC2)CCN1C 257245136 IOEMVGOAWDHFSV-OAQYLSRUSA-N 412.505 3.398 0 40 HGAB COc1cccc(Cc2cnc([C@H]3CCCCN3C(=O)Cn3ccccc3=O)o2)c1 257289632 PZNHFPWNGKQFQC-HXUWFJFHSA-N 407.470 3.190 0 40 HGAB COc1ccc(C(=O)N2CCC3(CC2)CO[C@H]([C@@]2(C)CC[C@@H](C(C)(C)O)O2)C3)cc1 257310530 UFLOQCBLMUDZIW-SXWKCWPCSA-N 417.546 3.415 0 40 HGAB CCS(=O)(=O)N1C[C@H](C(=O)Nc2ccc3c4c(cccc24)CC3)Oc2ccccc21 260853210 VWCDLFWVWQONKR-OAQYLSRUSA-N 422.506 3.494 0 40 HGAB Cc1ccc(CC(=O)N2CCO[C@H](c3nnn4cc(-c5ccncc5)ccc34)C2)cc1 306136569 PXDZQMAOYKCVBJ-QFIPXVFZSA-N 413.481 3.242 0 40 HGAB CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1 408592446 KMNSGCPBZRUGDM-SNVBAGLBSA-N 403.287 3.308 0 40 HGAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCCCC3)CC2)cc1Cl 408593219 MZYMWPYMGGCZTC-UHFFFAOYSA-N 414.955 3.152 0 40 HGAB Cc1ccc(N2C[C@H](C(=O)Oc3ccc(N4C(=O)CCCC4=O)c(C)c3)CC2=O)cc1 408638746 DHOPBHCVSFGJNE-QGZVFWFLSA-N 420.465 3.305 0 40 HGAB CCCN1C(=O)N/C(=C/c2cc(Br)cc(Br)c2O)C1=O 409242961 PYORSCDMIWGALS-BJMVGYQFSA-N 404.058 3.220 0 40 HGAB CC1CCN(C(=O)CN2C(=O)S/C(=C\c3coc4ccccc4c3=O)C2=O)CC1 409378179 NCXUHGRBWJAAFB-YVLHZVERSA-N 412.467 3.088 0 40 HGAB C[C@@]1(O)CCN(Cc2ccc3c(c2)OCO3)[C@@H](c2ccccc2)[C@@H]1NC(=O)C1CC1 514289753 DBOJTOPMGDGMKL-WPFOTENUSA-N 408.498 3.008 0 40 HGAB biogenic,in-vitro Cc1cc(O[C@@H]2CCCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)C2)nc(C)n1 575607228 AXBDDVXEECSTAD-OAHLLOKOSA-N 415.437 3.344 0 40 HGAB O=S(=O)(Cc1ccccc1Cl)NC[C@@](O)(c1ccccc1)C1CCOCC1 575610791 APDFNSCSWWUTMY-HXUWFJFHSA-N 409.935 3.074 0 40 HGAB CC(=O)c1cccc(S(=O)(=O)NC[C@@H](c2cccs2)n2nc(C)cc2C)c1 585369416 YUBGTXFQYOOMHG-SFHVURJKSA-N 403.529 3.332 0 40 HGAB COc1ccc(Cl)cc1NC(=O)C(=O)NCC1(c2ccsc2)CCOCC1 952989232 ALLOKZFKEXHKFN-UHFFFAOYSA-N 408.907 3.213 0 40 HGAB CCOC(=O)[C@H](NC(=O)c1cc(C(=O)OC(C)(C)C)nn1C)c1cccc(C)c1C 1523620161 LBXXDMWLHUTYSK-GOSISDBHSA-N 415.490 3.026 0 40 HGAB C=CC(=O)N1CCC(C(=O)N2CCN(c3cccc(C)c3)CC2)(c2ccccc2)CC1 1540490934 FOZMVQDUOOBRMP-UHFFFAOYSA-N 417.553 3.390 0 40 HGAB COc1cnccc1C(=O)N1CCC2(CC[C@H]2NC(=O)CCc2ccccc2)CC1 1614936847 FRTAQFLYXIPRTI-OAQYLSRUSA-N 407.514 3.224 0 40 HGAB Cc1cc(Br)ccc1NC(=O)Cn1nc(-c2ccc(F)cc2)oc1=O 8028868 XUCKSSZLCBAQAU-UHFFFAOYSA-N 406.211 3.352 0 40 HGAB C[C@H](NC(=O)c1ccccc1Cl)C(=O)Nc1nc2cc3c(cc2s1)OCCO3 11751556 GZSDXOATTUAOSL-JTQLQIEISA-N 417.874 3.478 0 40 HGAB CN(C)c1ccc(NC(=O)CSc2nnc(-c3ccccc3Cl)n2N)cc1 2263890 VAFYMRHYQQHSST-UHFFFAOYSA-N 402.911 3.109 0 40 HGAB O=C(CN1CCN(C(=O)c2cc3cc(F)ccc3[nH]2)CC1)Nc1ccccc1Cl 32759704 ZSIIYWJOTRENIS-UHFFFAOYSA-N 414.868 3.357 0 40 HGAB CCOC(=O)C(=O)Nc1nc(-c2ccc3c(c2)C[C@H](C)N3C(=O)C2CC2)c(C)s1 4893404 NNEQOQOCXACVCD-NSHDSACASA-N 413.499 3.308 0 40 HGAB CCOC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C 4905216 VUKOENYOYRYAMX-MSOLQXFVSA-N 406.523 3.216 0 40 HGAB COCCCNC(=S)N(Cc1cc2cc(C)ccc2n2nnnc12)C1CCCC1 4910880 CHPLQJVHXDCOFV-UHFFFAOYSA-N 412.563 3.242 0 40 HGAB Nc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)COc1ccc(Cl)cc1 6831707 JYVIELHXGRDBFX-UHFFFAOYSA-N 408.785 3.233 0 40 HGAB CC(=O)Nc1ccc(NC(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 7598266 HFKCJCVLYKFHIY-UHFFFAOYSA-N 415.515 3.001 0 40 HGAB COc1cc(S(=O)(=O)N2CCN(c3ccccc3Cl)CC2)c(OC)cc1C 16780223 JYNOVNHUCJIAIA-UHFFFAOYSA-N 410.923 3.177 0 40 HGAB O=C(CN1C(=O)[C@H]2CCCC[C@H]2C1=O)OCC(=O)c1ccc(-c2ccccc2)cc1 102430756 XOWVMOGVEIOWPN-BGYRXZFFSA-N 405.450 3.255 0 40 HGAB O=C(c1ccc(F)cc1)N(Cc1ccc(Br)o1)[C@H]1CCS(=O)(=O)C1 11914022 DAEZGSPPZJWYMF-ZDUSSCGKSA-N 416.268 3.011 0 40 HGAB O=C(C[C@H]1CCS(=O)(=O)C1)Nc1nc(-c2ccc(Br)cc2)cs1 11990898 FCBHXDULPSKYAA-SNVBAGLBSA-N 415.334 3.336 0 40 HGAB O=C(COC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)NC1CCCCC1 21763147 TUWJRVLPWVORSR-UHFFFAOYSA-N 413.440 3.309 0 40 HGAB Cc1nnc(S[C@@H](C)C(=O)N2CC(=O)Nc3cc(C(F)(F)F)ccc32)s1 16864695 SPKXJVLILDTDEB-ZETCQYMHSA-N 402.423 3.331 0 40 HGAB O=c1ccc(-c2cccs2)nn1CC1(O)C[C@@H]2CCC[C@@H](C1)N2Cc1ccccn1 100150300 IIHCDCFXTGIKEB-OALUTQOASA-N 422.554 3.315 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)c2[nH]c(C)c(C(C)=O)c2C)c1 9376850 HRCNFVSQNJFEHF-UHFFFAOYSA-N 405.520 3.425 0 40 HGAB COc1ccc(C(=O)Oc2ccccc2NC2=NS(=O)(=O)c3ccccc32)cc1 59857736 ZIJZPCFENSTINP-UHFFFAOYSA-N 408.435 3.475 0 40 HGAB CCN(C(=O)c1cc(C2CC2)nc2ccc(OC)cc12)[C@H](C)CS(=O)(=O)CC 89960777 XYMNQPQPLBMYPW-CQSZACIVSA-N 404.532 3.406 0 40 HGAB Cn1ccnc1C1(O)[C@@H]2CCC[C@@H]1CN(Cc1cccc(OC[C@@H]3CCCO3)c1)C2 100150248 VBYBSMIWUJDFDW-SJBKTWHCSA-N 411.546 3.098 0 40 HGAB O=C(Nc1cccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)c1)[C@H]1CCCO1 24425705 IWSHMCHWVHWDCO-HXUWFJFHSA-N 413.905 3.420 0 40 HGAB CC1CCN(C(=O)C2CCN(S(=O)(=O)Cc3c(F)cccc3Cl)CC2)CC1 24613328 HAZAVYOEWPYIGN-UHFFFAOYSA-N 416.946 3.279 0 40 HGAB CC(C)C(=O)N1CCN(C(=O)C2=NN(c3ccccc3)[C@@H](c3ccccc3)C2)CC1 24775517 FLNCQQQUEQXLPE-JOCHJYFZSA-N 404.514 3.321 0 40 HGAB CCN(CC(=O)N[C@H](C)c1ccc(SC)cc1)S(=O)(=O)c1ccc(F)cc1 20014872 UTKQNYHVHBDKER-CQSZACIVSA-N 410.536 3.436 0 40 HGAB CCCNS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(F)c(F)c2F)cc1 20024236 HLLLYRHWHMSMFK-UHFFFAOYSA-N 400.422 3.364 0 40 HGAB COC(=O)c1cc(NC(=O)[C@@H]2CC(=O)N(c3cccc(C)c3C)C2)c(F)cc1F 22889395 RPVKEYBWLFXICQ-CYBMUJFWSA-N 402.397 3.360 0 40 HGAB CCS(=O)(=O)c1ccc(O)c(NC(=O)c2cnn(-c3ccccc3F)c2C)c1 25475598 RCLDMWUCYDLNEM-UHFFFAOYSA-N 403.435 3.071 0 40 HGAB COc1ccc(C(=O)COC(=O)COc2ccccc2OC)cc1Br 10589883 DBWKYTDIUVRKDG-UHFFFAOYSA-N 409.232 3.271 0 40 HGAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CN(c1ccccc1C)S(C)(=O)=O 22327076 XAFRTKNNDUSOKH-SFHVURJKSA-N 416.543 3.488 0 40 HGAB C[C@@H](NC(=O)CN1CCN(c2ccccc2Cl)CC1)c1ccc2c(c1)OCCO2 57585290 OJGLUQYLHKJNHN-MRXNPFEDSA-N 415.921 3.111 0 40 HGAB CCCCn1c(S[C@@H](C(=O)NC(N)=O)C(C)C)nnc1-c1ccc(OC)cc1 3334611 RSQGZOCPDDMTEF-OAHLLOKOSA-N 405.524 3.065 0 40 HGAB Cc1ccc(NC(=O)COC(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)cc1 3373222 BLYPGPMBABEMPZ-UHFFFAOYSA-N 418.405 3.180 0 40 HGAB COc1ccc(OC)c(-c2csc(NC(=O)c3n[nH]c(=O)c4ccccc34)n2)c1 3357043 GVGLUMJRIYLJLU-UHFFFAOYSA-N 408.439 3.316 0 40 HGAB Cc1ccc(N2C[C@@H](C(=O)NCCc3cnn(-c4ccccc4)c3)CC2=O)cc1F 36392659 XUTYPGBOELFLJH-SFHVURJKSA-N 406.461 3.032 0 40 HGAB O=C(Nc1ccnn1Cc1cccs1)[C@H]1CC(=O)N(c2ccc(F)cc2F)C1 48355395 XGSXVAOEAALTQS-LBPRGKRZSA-N 402.426 3.263 0 40 HGAB O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NCc1ccco1 409025192 RJWSRCXIZLNCRI-UHFFFAOYSA-N 404.875 3.445 0 40 HGAB COC[C@H](C)NC(=O)COC(=O)c1c(-c2ccccc2)csc1NC(=O)C1CC1 12821838 RAHVTFLUBUKHFM-ZDUSSCGKSA-N 416.499 3.072 0 40 HGAB COC(=O)C[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(SC)cc2)C1)c1cccs1 12872078 RSPWJLLUWTZFBG-CZUORRHYSA-N 418.540 3.244 0 40 HGAB O=C(Nc1ccccc1N1CCc2ccccc21)N1CCN(C(=O)[C@H]2CCCO2)CC1 62582114 JETUIFXVMNVDIE-JOCHJYFZSA-N 420.513 3.236 0 40 HGAB Cc1nc(-c2cccs2)sc1C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 12987450 QGLASKUREMIJLS-SNVBAGLBSA-N 407.542 3.318 0 40 HGAB COc1ccc(NC(=O)CC[C@@H]2N=C(O)N([C@@H](C)c3ccccc3)C2=O)cc1OC 13682146 QREZVFSLWIBXDU-YOEHRIQHSA-N 411.458 3.309 0 40 HGAB C[C@@H]1CCN(C(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)c2ccccc2S1 4288954 CALIHJWWQATEOJ-QRQCRPRQSA-N 409.511 3.371 0 40 HGAB C[C@@H](NC(=O)Nc1cccc(Cn2cccnc2=O)c1)c1ccc2c(c1)OCCCO2 65552614 LTOIFIXEFJHPNI-MRXNPFEDSA-N 420.469 3.336 0 40 HGAB O=C(Nc1ccnn1Cc1ccccc1Br)[C@@H]1COc2ccccc2O1 14183067 REBDLNOIOUQJBU-KRWDZBQOSA-N 414.259 3.472 0 40 HGAB CC(=O)c1cc(Br)ccc1OCc1cccc(S(=O)(=O)N(C)C)c1 14157354 MJZVQIGMYNGGOT-UHFFFAOYSA-N 412.305 3.481 0 40 HGAB COc1cc(NC(=O)NCc2cccc(Cn3cccn3)c2)ccc1N1CCCC1=O 69879940 AUQURRSMAAIBKR-UHFFFAOYSA-N 419.485 3.389 0 40 HGAB CCSc1nnc(NC(=O)[C@H](C)NC(=O)Cc2cccc3ccccc23)s1 14247014 QDDGGAGADZWFFV-LBPRGKRZSA-N 400.529 3.489 0 40 HGAB CC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](C)c2cc3ccccc3o2)cc1 14313655 SNGCTTABEIMNRJ-AWEZNQCLSA-N 414.483 3.133 0 40 HGAB Cc1c(C(=O)CN2C(=O)c3ccccc3O[C@H](C(C)C)C2=O)cnn1-c1ccccc1 6662184 DVJXVARCRDESEE-JOCHJYFZSA-N 417.465 3.449 0 40 HGAB COc1cccc(-c2nnc(SCC(=O)Nc3ccc(NC(C)=O)cc3)n2C)c1 4736040 YZRRYKTVTXFBDH-UHFFFAOYSA-N 411.487 3.180 0 40 HGAB CSc1ccccc1NC(=O)CN(C)C(=O)CSc1nc2ccccc2[nH]1 5628322 FHARADCININGNZ-UHFFFAOYSA-N 400.529 3.474 0 40 HGAB Cc1cccc(OCCC(=O)Nc2cccc(S(=O)(=O)NCc3ccco3)c2)c1 6789243 UPXKCNRXPGJUBG-UHFFFAOYSA-N 414.483 3.474 0 40 HGAB Cc1ccc(S(=O)(=O)N(CC(=O)NCCCOC(C)C)c2ccc(F)cc2)cc1 409320654 CGFZHRJUCHVCRM-UHFFFAOYSA-N 422.522 3.261 0 40 HGAB Cn1cccc1C(=O)NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 5987830 WWDGXMPLRQLYCU-UHFFFAOYSA-N 417.494 3.322 0 40 HGAB O=C(CCn1nc(-c2ccc(Br)cc2)ccc1=O)NCc1ccccc1 67261634 YGBPVENFGUOHKF-UHFFFAOYSA-N 412.287 3.379 0 40 HGAB COc1ccc(C)cc1NC(=O)COC(=O)/C=C/c1cc(OC)c(OC)c(OC)c1 7507203 RCPODGQHAKLSHS-VQHVLOKHSA-N 415.442 3.225 0 40 HGAB CCN1CCc2c([nH]c3ccccc23)[C@@H]1c1c(O)nc(O)n(-c2ccccc2C)c1=O 8994699 DQYDWGPNRNFYTM-NRFANRHFSA-N 416.481 3.401 0 40 HGAB biogenic O=C(COc1ccccc1P(=O)(O)O)Nc1cc(C(F)(F)F)ccc1Cl 9306431 JQGAEOCOPMLHLZ-UHFFFAOYSA-N 409.684 3.179 0 40 HGAB in-vitro O=C(Cn1nc2c(cc1=O)CCCCC2)N1CCC(c2noc3cc(F)ccc23)CC1 96345273 OGZHPNDOKZPMKW-UHFFFAOYSA-N 424.476 3.199 0 40 HGAB CC(C)Oc1ccc(C(=O)NC(=S)Nc2ccc(CN3CCOCC3)cc2)cc1 19929082 SKHAIXPSYXZISY-UHFFFAOYSA-N 413.543 3.433 0 40 HGAB CCOC(=O)c1ccc(C)c(NC(=O)c2ccc(NS(C)(=O)=O)cc2Cl)c1 20451723 MAMWDWIANGEPSY-UHFFFAOYSA-N 410.879 3.449 0 40 HGAB CC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3c(C)cccc3C)C2)cc1 408664548 QRHDCCORPBMVJA-GOSISDBHSA-N 408.454 3.041 0 40 HGAB CCOc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3cc(C)cc(C)c3)CC2=O)cc1 409144228 DWWRQBWZSQIKMN-QGZVFWFLSA-N 410.470 3.237 0 40 HGAB CCC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)Nc2cccc(OC)c2)cc1 408590634 KCXSQNYHGSOAPD-HNNXBMFYSA-N 406.504 3.180 0 40 HGAB COc1ccc(S(=O)(=O)NCCCc2ccccc2Cl)cc1N1CCCC1=O 20480973 ZSQNOQAUIOSGRI-UHFFFAOYSA-N 422.934 3.387 0 40 HGAB COc1ccc(C(=O)[C@@H](C)[C@H]2[C@H](C(=O)NCc3ccccc3)C(=O)OC2(C)C)cc1 4698352 KKFUILHAZBACCO-BEVDRBHNSA-N 409.482 3.398 0 40 HGAB Cc1ccc(-c2nnc(CN(C)C(=O)CCCN3C(=O)c4ccccc4C3=O)o2)cc1 408714317 OFRDIAOKDPQKMV-UHFFFAOYSA-N 418.453 3.080 0 40 HGAB CS(=O)(=O)c1ccc(C(=O)N2CCN(Cc3csc4ccccc34)CC2)cc1 32757137 ZUEMDFVMYJHEPT-UHFFFAOYSA-N 414.552 3.263 0 40 HGAB CC(=O)N1CCCc2cc([C@H](O)CN3CCN(c4ccc(Cl)cc4)CC3)ccc21 36741203 ZJCXWGMWMPQSNS-HSZRJFAPSA-N 413.949 3.495 0 40 HGAB CCN1C(=O)S/C(=C/c2cc(I)c(OC)c(OC)c2)C1=O 409070676 GJQCMLZQWIQMMA-YRNVUSSQSA-N 419.240 3.365 0 40 HGAB COc1ccc([C@H]2Sc3ccccc3N(CCN(C)C)C(=O)[C@H]2OC(C)=O)cc1 601259 HSUGRBWQSSZJOP-LEWJYISDSA-N 414.527 3.369 0 40 HGAB biogenic,in-man CS(=O)(=O)N1C[C@@H](C(=O)Nc2ccc(Cl)cc2)Oc2ccc(Cl)cc21 38756882 IDWWGWASZULCQE-HNNXBMFYSA-N 401.271 3.159 0 40 HGAB CCOc1cc(/C=C2/SC(=O)N(CCOC)C2=O)c(Br)cc1O 409127174 BZRZEHUDUMHAEF-NTUHNPAUSA-N 402.266 3.236 0 40 HGAB COc1ccccc1N1C(SCc2cccc(C)c2)=N[C@H]2CS(=O)(=O)C[C@@H]21 32641190 BYVCEZHBDDIXTF-WMZOPIPTSA-N 402.541 3.279 0 40 HGAB COc1cc2c(cc1OC)CN(C(=O)c1coc(NC(=O)c3ccccc3)n1)CC2 62022988 NUAPHANXZHEFEX-UHFFFAOYSA-N 407.426 3.143 0 40 HGAB Cc1ccc([C@@H](C)NC(=O)CCCN2C(=O)c3ccccc3S2(=O)=O)cc1C 219447920 HGFAEYRJHLDSQO-MRXNPFEDSA-N 400.500 3.106 0 40 HGAB COc1ccc(C2(CNC(=O)c3ccc(F)c(-n4cccn4)c3)CCOCC2)cc1 72390341 YWCAZZCWDLWOAN-UHFFFAOYSA-N 409.461 3.498 0 40 HGAB CN(c1ccc(C(=O)NCc2ccncc2)c(Cl)c1)S(=O)(=O)c1ccccc1 224231811 VWYRCJPAOAADEM-UHFFFAOYSA-N 415.902 3.490 0 40 HGAB CS(=O)(=O)N(CC(=O)Nc1cccc(Br)c1)c1ccc(F)cc1F 220078517 NVEBILAMBXINMU-UHFFFAOYSA-N 419.247 3.132 0 40 HGAB CCc1ccc([C@@H](C)NC(=O)[C@@H]2CN(S(=O)(=O)CC)c3ccccc3O2)cc1 225251521 HBCPWIUOCMADQU-QRWLVFNGSA-N 402.516 3.044 0 40 HGAB C[C@@H](c1ccccc1)N1C[C@H](C(=O)OCC(=O)Nc2ccccc2Cl)CC1=O 139141429 KQDOWCWGFAXLON-GOEBONIOSA-N 400.862 3.431 0 40 HGAB COCc1nnc(NC(=O)c2sc(-c3ccc(OC)c(OC)c3)nc2C)s1 40267463 NNMLCHHEFMPKIK-UHFFFAOYSA-N 406.489 3.386 0 40 HGAB CSc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NC(C)C)cc1NC(C)=O 223261920 OGWIPSZEWLZQST-UHFFFAOYSA-N 421.544 3.306 0 40 HGAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1cccc(S(=O)(=O)N(C)C)c1 225423682 PLBQKPWYDNHHOX-SFHVURJKSA-N 402.516 3.278 0 40 HGAB COc1ccc(CN2C[C@@H]3Oc4ccc(C(F)(F)F)cc4C(=O)N(C)[C@@H]3C2)cc1 514288722 XVZPSZWMROAMGJ-MJGOQNOKSA-N 406.404 3.431 0 40 HGAB biogenic,in-vitro CN(c1cccc(C(=O)NC[C@@H]2CCCO2)c1)S(=O)(=O)c1ccc(Cl)cc1 224269353 LGKKMJSYXGIXPX-KRWDZBQOSA-N 408.907 3.074 0 40 HGAB CCN1CC[C@]2(CN(CC(C)C)CC23CCN(C(=O)c2cccc(F)c2)CC3)C1=O 96144327 HKLONIQFPCZROU-DEOSSOPVSA-N 415.553 3.258 0 40 HGAB COCCOc1cn(-c2ccccc2)nc1C(=O)Nc1ccc(F)cc1C(=O)OC 609216916 WLRJHHZNXZLMAX-UHFFFAOYSA-N 413.405 3.076 0 40 HGAB Cc1nc(Nc2nnc(C)s2)cc([C@@H]2CCCCN2C(=O)/C=C/c2ccco2)n1 585292608 PPZVVSAZLYLASS-IJDCCNJMSA-N 410.503 4.049 0 40 HGAB COc1cc(Cl)c(C)cc1NCC(=O)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1 57653111 OPOSPTJJAZIKPN-INIZCTEOSA-N 422.934 3.289 0 40 HGAB NS(=O)(=O)c1ccc(NC(=O)NCCOc2ccccc2-c2ccccc2)cc1 58404144 WDPDOKIPUFZHQZ-UHFFFAOYSA-N 411.483 3.202 0 40 HGAB CCN1CCC[C@@H](NC(=O)c2nc3nc(-c4ccccc4)cc(C(F)(F)F)n3n2)C1 5509806 FYZKAUFDLDIJRM-CQSZACIVSA-N 418.423 3.024 0 40 HGAB C[C@H](CCc1ccccc1)NS(=O)(=O)c1ccn(S(=O)(=O)c2ccccc2)c1 13585829 OREPCQUYFOQLEO-QGZVFWFLSA-N 418.540 3.025 0 40 HGAB O=C1[C@H]2ON(c3ccccc3)[C@@H](c3ccc(O)cc3)[C@@H]2C(=O)N1Cc1ccccc1 18043109 POBYBTAFLPYBDN-FKBYEOEOSA-N 400.434 3.439 0 40 HGAB COc1cccc(OCCc2nnc(NC(=O)c3cn4cc(C)ccc4n3)s2)c1 19234360 YIYIWPMVTPYMRE-UHFFFAOYSA-N 409.471 3.377 0 40 HGAB O=C1CCCN1c1ccc([C@@H](O)CN2CCC3(CC2)C[C@@H](O)c2ccccc2O3)cc1 19374908 USBVQOHNEULINU-YADHBBJMSA-N 422.525 3.198 0 40 HGAB CCN(CC)S(=O)(=O)N1CCC[C@H](c2ccc(Cc3cccc(OC)c3)cn2)C1 19688233 JFUGEEKARXKDCX-FQEVSTJZSA-N 417.575 3.447 0 40 HGAB CCn1c(SCC(=O)N2CCCc3ccccc32)nc2c(c1=O)S[C@H](C)C2 4107844 KLUQYCVXCCUWRG-CYBMUJFWSA-N 401.557 3.371 0 40 HGAB Cc1cnc(-c2nc([C@H]3CCCN(C(=O)[C@@H](C)Oc4ccc(F)cc4)C3)no2)cn1 12187799 UIEMIIQDSYPBAN-CABCVRRESA-N 411.437 3.148 0 40 HGAB Cc1ccc(NC(=O)[C@H]2OCCc3ccccc32)cc1S(=O)(=O)N1CCCC1 19661080 JODRSPLCHDDMAW-FQEVSTJZSA-N 400.500 3.032 0 40 HGAB CCCS(=O)(=O)N1CCCc2cc(NC(=O)COc3ccc(F)cc3)ccc21 17286727 AXZXCIDORBWTPY-UHFFFAOYSA-N 406.479 3.336 0 40 HGAB CCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)COC)CCC3)cc1C 21756863 YPANKIFIUNIHOX-UHFFFAOYSA-N 418.515 3.120 0 40 HGAB O=S(=O)(C1CCCCC1)N1CC[C@H]2CN(c3cc(C(F)(F)F)ccn3)C[C@@H]21 2086896807 IWIWBCDDGQOAHO-BBRMVZONSA-N 403.470 3.273 0 40 HGAB Cc1ccc(C)c(S(=O)(=O)NCC(=O)NCc2cncc(-c3ccsc3)c2)c1 206944898 IQWBGFWVTXFLSL-UHFFFAOYSA-N 415.540 3.022 0 40 HGAB COc1ccc(O[C@H](C)C(=O)O[C@H](C)C(=O)Nc2ccc(OC)cc2OC)cc1 28887106 QUMNFTDTDNEFPG-ZIAGYGMSSA-N 403.431 3.050 0 40 HGAB CC1CCN(CCCNC(=O)Nc2cc3c(cc2Br)OCCO3)CC1 40103726 LPZRXFVSSALPIH-UHFFFAOYSA-N 412.328 3.464 0 40 HGAB O=C(NCc1ccccc1Cl)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 801520 NGONYWQTMISYQC-QGZVFWFLSA-N 413.326 3.463 0 40 HGAB CCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)[C@@H](C)N1CCC[C@@H](C)C1 2253855 GOKQVHHBOIENNV-ZIAGYGMSSA-N 417.506 3.421 0 40 HGAB O=C(N[C@@]1(C(F)(F)F)N=C(O)N(c2ccccc2F)C1=O)c1cccc(Cl)c1 2369737 XYYSLMUUIMZTRI-MRXNPFEDSA-N 415.730 3.428 0 40 HGAB COC(=O)C1CCN(C(=O)COC(=O)c2sc3cc(F)ccc3c2Cl)CC1 2615882 CSVQMLBBSHRVSD-UHFFFAOYSA-N 413.854 3.262 0 40 HGAB O=C(COC(=O)c1ccccc1OCc1ccccc1)NCc1ccc2c(c1)OCO2 3260102 XATMFFBNXLBDPS-UHFFFAOYSA-N 419.433 3.468 0 40 HGAB O=C(OCC(=O)N1CCNC1=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 3339861 UVPDBIMGJKQOED-UHFFFAOYSA-N 409.829 3.264 0 40 HGAB O=C(Nc1ccccc1)N1CCC(C(=O)N2CCN(c3ccccc3F)CC2)CC1 3376982 WSCNLOIAJZJHDL-UHFFFAOYSA-N 410.493 3.418 0 40 HGAB COC(=O)c1sc(NC(=O)CSc2nc(C)cs2)c(C(=O)OC)c1C 3413692 NZJMJHPZMBFJQH-UHFFFAOYSA-N 400.503 3.125 0 40 HGAB Nn1c(SCC(=O)Nc2cccc(Br)c2)nnc1-c1ccccc1F 3438923 YLSGJVODVBDRRW-UHFFFAOYSA-N 422.283 3.291 0 40 HGAB CCN(CC)C(=O)COC(=O)c1ccccc1NC(=O)/C=C/c1ccc(OC)cc1 3475547 FQWMKHFFTYOERW-NTCAYCPXSA-N 410.470 3.372 0 40 HGAB Cc1cnc(C(=O)OCC(=O)c2cc(C)n(Cc3ccc4c(c3)OCO4)c2C)cn1 3545428 FWIBIJPJFMAQHG-UHFFFAOYSA-N 407.426 3.020 0 40 HGAB Cc1c(NC(=O)CSc2nnc(-c3ccccc3)o2)c(=O)n(-c2ccccc2)n1C 3602727 LBLDLCSHUZPKCQ-UHFFFAOYSA-N 421.482 3.265 0 40 HGAB COCCn1c(CCc2ccccc2)nnc1SCC(=O)N1CCCC[C@@H]1C 4419094 KGKIDOJJZINCKQ-KRWDZBQOSA-N 402.564 3.203 0 40 HGAB COc1ccc(N2C[C@H](NC(=O)Nc3ccc(F)c(Cl)c3)CC2=O)cc1OC 5202177 SVZKLCYKGAWYCW-GFCCVEGCSA-N 407.829 3.423 0 40 HGAB CC(=O)Nc1ccc(NC(=O)[C@H](C)OC(=O)c2c(NC(C)=O)sc(C)c2C)cc1 5326562 MBXNCJBSCXFXGY-NSHDSACASA-N 417.487 3.466 0 40 HGAB CCn1c(SC(C)C)nnc1C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 6176619 OBUDFPHGLHRBOT-UHFFFAOYSA-N 424.592 3.375 0 40 HGAB O=C(COc1ccccc1C(=O)Nc1ccccc1)NCc1ccc2c(c1)OCO2 6461123 ZLGKMKUTHXQXQT-UHFFFAOYSA-N 404.422 3.363 0 40 HGAB CCOC(=O)C1=C(CC)Nc2ccccc2N=C1NS(=O)(=O)c1ccccc1F 6623407 NUKKHFVVWVWLMN-UHFFFAOYSA-N 417.462 3.487 0 40 HGAB COCCn1c(Cc2ccccc2)nnc1SCc1cc(=O)n2c(C)cccc2n1 7090474 MAZWEFRVGFEPJZ-UHFFFAOYSA-N 421.526 3.124 0 40 HGAB O=C1N[C@@](Cc2ccccc2)(c2ccccc2)C(=O)N1C[C@@H](O)COc1ccccc1 7203806 CNAOPQQNMXITBN-BWKNWUBXSA-N 416.477 3.116 0 40 HGAB CCOc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)cc1 7232497 NFHCPTQKGJIBIV-WMZOPIPTSA-N 410.470 3.177 0 40 HGAB COc1ccccc1[C@@H](C)NC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1 8156056 MNPIIWCERBTAJR-CQSZACIVSA-N 408.545 3.035 0 40 HGAB C[C@@H](NC(=O)CSc1nnnn1C[C@@H]1CCCO1)c1ccc(-c2ccccc2)cc1 8157409 HMTODGFCZIPKEU-UZLBHIALSA-N 423.542 3.489 0 40 HGAB COCCCNC(=O)c1nc(-c2ccc(Cl)cc2)n(-c2ccc(OC)cc2)n1 8476324 AIWZALOATWQOSK-UHFFFAOYSA-N 400.866 3.363 0 40 HGAB Cc1ccc(OCCn2cc(C(=O)C(=O)N3CCOCC3)c3ccccc32)cc1C 9096353 OQVUGTWZCNVFHL-UHFFFAOYSA-N 406.482 3.379 0 40 HGAB CCCN1C(SCC(=O)NCc2ccc(C)cc2)=NS(=O)(=O)c2ccccc21 9530258 BHCCWWIKERWCEN-UHFFFAOYSA-N 417.556 3.319 0 40 HGAB CN(CC(=O)N1CCC[C@@H]1c1nc2ccccc2s1)S(=O)(=O)c1cccs1 9584911 CSRBQKJTXYSNIT-CQSZACIVSA-N 421.569 3.342 0 40 HGAB Cc1nc2cc(F)ccc2cc1C(=O)OCC(=O)Nc1ccccc1C(=O)NC1CC1 10923339 VNFNRBDICLGSNG-UHFFFAOYSA-N 421.428 3.370 0 40 HGAB COc1cccc([C@H](CNC(=O)C2CCN(c3nc4ccccc4o3)CC2)N(C)C)c1 11603979 IYUPQYXJZBLZHI-NRFANRHFSA-N 422.529 3.472 0 40 HGAB CN(C)c1ccc(NC(=O)c2cc(-c3ccccc3)n([C@H]3CCS(=O)(=O)C3)n2)cc1 11907104 XSGDMZMSLBNXFG-IBGZPJMESA-N 424.526 3.228 0 40 HGAB NC(=O)c1c(NC(=O)CSc2nnc(C3CCCC3)[nH]2)sc2c1CCCC2 12103701 LTWSWFCLOSIPNZ-UHFFFAOYSA-N 405.549 3.232 0 40 HGAB O=C(Cn1c(=O)n(Cc2cccs2)c2ncccc21)N1CCC[C@H]2CCCC[C@H]21 12117479 FITIENUUXLKEAT-SJLPKXTDSA-N 410.543 3.489 0 40 HGAB O=C(c1ccc(CN2CCCC2)o1)N1CCC[C@@H](c2nc3ccccc3c(=O)[nH]2)C1 12145139 BQLWHPMDVOXHGU-MRXNPFEDSA-N 406.486 3.132 0 40 HGAB O=S(=O)(N[C@@H](Cc1ccsc1)c1ccccn1)c1ccc2c(c1)OCCO2 12229328 GIPFQQHLXWZCIO-KRWDZBQOSA-N 402.497 3.177 0 40 HGAB COc1cccc(CC(=O)N2CCC[C@@H](c3nc(O)cc(-c4ccncc4)n3)C2)c1 12256872 IXNYQXABEBXMFO-GOSISDBHSA-N 404.470 3.202 0 40 HGAB CCOc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 12757202 ZSGWSPHELJKOIQ-HZPDHXFCSA-N 418.515 3.136 0 40 HGAB COc1ccc(OCC(=O)Nc2nc(-c3ccc(CNC(C)=O)cc3)cs2)cc1 12869815 IECREUOZAITNRA-UHFFFAOYSA-N 411.483 3.472 0 40 HGAB COc1cc(C(=O)N[C@H](C)c2cc3ccccc3o2)cc(Cl)c1OCC(N)=O 12906655 JJBUTJDLFUGTLF-LLVKDONJSA-N 402.834 3.450 0 40 HGAB C[C@@H](OC(=O)[C@]12CCC(=O)N1c1ccccc1S2)C(=O)Nc1ccccc1F 12917384 IXHICODXETYHDD-MPBGBICISA-N 400.431 3.325 0 40 HGAB CCN(CC)[C@@H](CNC(=O)c1cnc2ccc(C)cn2c1=O)c1ccccc1Cl 12952430 BLQXTWNJNVESSK-IBGZPJMESA-N 412.921 3.469 0 40 HGAB O=C(CCNC(=O)c1cccs1)Nc1cccc(I)c1 12985300 GGGZRZSFRNDELX-UHFFFAOYSA-N 400.241 3.111 0 40 HGAB O=C(COc1ccc(F)cc1Br)Nc1ccc(CN2CCOCC2)cc1 14253280 FDEAQBHCAVHUBY-UHFFFAOYSA-N 423.282 3.438 0 40 HGAB COC(=O)c1ccc(C)c(NC(=O)CCCN(c2ccc(F)cc2)S(C)(=O)=O)c1 14399251 OEIBLNAQJNGFQL-UHFFFAOYSA-N 422.478 3.106 0 40 HGAB COc1cc(/C=C2\NC(=O)NC2=O)cc(Br)c1OCc1ccccc1F 15012928 WBLICAZZASETCL-AUWJEWJLSA-N 421.222 3.356 0 40 HGAB COc1ccc(NC(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)s2)c(OC)c1 15654695 QFEAPXVICXJYMM-UHFFFAOYSA-N 424.544 3.121 0 40 HGAB Cc1cc2oc(=O)cc(COC(=O)c3csc(S(N)(=O)=O)c3)c2cc1C(C)C 18387884 KRPTZSLLSFFYQE-UHFFFAOYSA-N 421.496 3.291 0 40 HGAB COc1ccc(C2(CN3CCC(NC(=O)c4c(Cl)cnn4C)CC3)CC2)cc1 19288564 TWHNAVRQUWSUMR-UHFFFAOYSA-N 402.926 3.008 0 40 HGAB CC(C)N1CCc2nc3cc([C@H]4CCCN4C(=O)Cc4ccccc4)nn3c(O)c2C1 19448115 HMQGHZORNSSWLJ-OAQYLSRUSA-N 419.529 3.108 0 40 HGAB COc1ccccc1CN1CCC(O)(Cn2cnc3sc(C)c(C)c3c2=O)CC1 19561577 GULZQAKDEYLFRI-UHFFFAOYSA-N 413.543 3.111 0 40 HGAB O=C(NCc1ccccc1)c1cnc(-c2ccccc2)nc1CCNC1CCOCC1 19697436 QWKHFXCPCXSMAU-UHFFFAOYSA-N 416.525 3.385 0 40 HGAB CC1CCN(c2ccc(C(=O)NC[C@@H](c3cccnc3)N3CCOCC3)cc2)CC1 19715666 UCYRGTWAFMLXDO-QHCPKHFHSA-N 408.546 3.121 0 40 HGAB CCCC(=O)Nc1ccc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 19878061 ANJWIOTYYPHYJF-UHFFFAOYSA-N 409.486 3.112 0 40 HGAB CC[C@H](NC(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O)c1ccc(C)cc1 20110354 GBKJETDWEJBXAC-SFHVURJKSA-N 404.532 3.346 0 40 HGAB Cc1ccc([C@H](c2nnnn2C[C@H]2CCCO2)N2CCN(C3CCCCC3)CC2)cc1 20140654 DRYWWSNSECVKDS-DHIUTWEWSA-N 424.593 3.200 0 40 HGAB COc1ccc(-c2c[nH]nc2-c2ccc(OCCN3CCOCC3)c(C)c2O)cc1 20590300 PMWDWXJCOVQICT-UHFFFAOYSA-N 409.486 3.477 0 40 HGAB CC(=O)NC(=S)Nc1ccc(N2CCN(C(=O)c3cc4ccccc4o3)CC2)cc1 21576998 PMBGIIMGHJOOTR-UHFFFAOYSA-N 422.510 3.228 0 40 HGAB O=C(c1cn2c3c(cccc3c1=O)CCC2)N1CCN(C/C=C/c2ccccc2)CC1 22235545 UUDLSLITXNQYAQ-WEVVVXLNSA-N 413.521 3.419 0 40 HGAB CCCCn1c(=O)c(CCC(=O)OCc2occc2C(=O)OC)nc2ccccc21 22412385 DJWRCXORNNBVAY-UHFFFAOYSA-N 412.442 3.252 0 40 HGAB Cc1ccccc1OC[C@H](C)NC(=O)CN(c1ccccc1C(C)C)S(C)(=O)=O 22425701 KKCRHOLJFOSYES-SFHVURJKSA-N 418.559 3.468 0 40 HGAB COc1ccc(-c2noc(CN3CCN(C(=O)/C=C/c4ccccc4)CC3)n2)cc1 22603855 WBPXGCGUGKSRGS-KPKJPENVSA-N 404.470 3.103 0 40 HGAB O=C(CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)N(CCc1ccccc1)Cc1cccs1 23229100 LAGKYQWUDSHRNK-WOJBJXKFSA-N 408.523 3.271 0 40 HGAB COc1ccc([C@@H](NC(=O)C[C@H]2Sc3ccccc3NC2=O)c2nccn2C)cc1 24025200 DUZWQBFCZXZUKW-UYAOXDASSA-N 422.510 3.137 0 40 HGAB CCn1c(SCC(=O)Nc2ccc(NC(C)=O)cc2)nc2ccsc2c1=O 27819359 LWKNSXSZCATTTF-UHFFFAOYSA-N 402.501 3.167 0 40 HGAB Cc1ccc(C(=O)[C@@H](C)Sc2ccc(S(=O)(=O)N3CCOCC3)cn2)cc1C 31751823 KBVUDXFARKWBOG-MRXNPFEDSA-N 420.556 3.083 0 40 HGAB Cc1cc(C)n(-c2ccc(COC(=O)CCN3C(=O)[C@@H]4CCCC[C@H]4C3=O)cc2)n1 32741304 ZZSMOYSUEYZPME-WOJBJXKFSA-N 409.486 3.098 0 40 HGAB CC(=O)Nc1ccc(NC(=O)/C=C/c2ccc(NS(C)(=O)=O)cc2)cc1Cl 32899608 QMISDTGTUDENBU-BJMVGYQFSA-N 407.879 3.322 0 40 HGAB CCOC(=O)c1nc(-c2cccs2)[nH]c1NS(=O)(=O)c1ccc(OC)cc1 33435922 HSPUEUDBOBAXSB-UHFFFAOYSA-N 407.473 3.124 0 40 HGAB COc1ccc(/C=C/C(=O)N[C@@H](C)C(=O)Nc2nc3ccc(OC)cc3s2)cc1 36688485 CREOCENTTNVRIA-VKUYVZBCSA-N 411.483 3.470 0 40 HGAB CCCCc1ccc(-n2nnnc2SCc2cc(=O)n3nc(C)sc3n2)cc1 40119287 SXHLCRHSGPVPHF-UHFFFAOYSA-N 413.532 3.070 0 40 HGAB CCN1CCN(c2ccc(CNC(=O)c3cnc(-c4ccccc4)s3)cn2)CC1 40151644 IWKQASXYLJBFAV-UHFFFAOYSA-N 407.543 3.277 0 40 HGAB CCCc1noc(CCCC(=O)N2CCc3[nH]c4ccc(C(=O)OC)cc4c3C2)n1 40153902 ONEWRWPVOBTVRN-UHFFFAOYSA-N 410.474 3.198 0 40 HGAB COc1ccc(-c2nnc3sc(NC(=O)COc4cc(C)cc(C)c4)nn23)cc1 41076470 KLDFKANYBNJKPP-UHFFFAOYSA-N 409.471 3.496 0 40 HGAB Cc1ccc(Cl)cc1N1CCN(C[C@H](O)COCCOc2ccc(F)cc2)CC1 41690276 JQLWPUMENJNDCR-FQEVSTJZSA-N 422.928 3.366 0 40 HGAB CCc1cccc(NC(=O)Cn2ccn3nc(-c4ccc5c(c4)OCO5)cc3c2=O)c1 46005208 IYFYTGWNHMIAPX-UHFFFAOYSA-N 416.437 3.093 0 40 HGAB O=C(CN1CCC[C@@H]1c1ccc(F)cc1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 55528389 ZLNTZJPQAUEIMN-LJQANCHMSA-N 412.465 3.220 0 40 HGAB CCCCOC(=O)c1ccc(NS(=O)(=O)c2ccc(CCNC(C)=O)cc2)cc1 55549452 IXMQWDMQYOEKEL-UHFFFAOYSA-N 418.515 3.123 0 40 HGAB O=C(CN1CCN(c2ccccc2O)CC1)Nc1ccccc1C(=O)c1ccccc1 57364047 ZQCRHGDNVQGZFA-UHFFFAOYSA-N 415.493 3.384 0 40 HGAB Cc1cccc(-n2c(=O)c3sccc3n(CC(=O)N3C[C@@H](C)C[C@@H](C)C3)c2=O)c1 57490025 FKXMHHADAMWJJD-IYBDPMFKSA-N 411.527 3.027 0 40 HGAB CCN1CCN(C(=O)c2cn(Cc3ccccc3)nc2-c2ccccc2OC)CC1 58148884 BGFYYGVCZDLWFK-UHFFFAOYSA-N 404.514 3.385 0 40 HGAB COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)Nc1nnc(C)s1)C(=O)OC2 62001520 VRHTXFWRJFHNEW-BJMVGYQFSA-N 417.487 3.447 0 40 HGAB biogenic C[C@@H](Nc1ccc(NC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)cc1)c1ccccc1 64738010 MMCQMMDZJPSPKW-MRXNPFEDSA-N 422.510 3.296 0 40 HGAB COc1cccc(-c2cn(C)c3c(=O)n(CC(=O)Nc4cccc(F)c4)cnc23)c1 67235628 NWXONTPAIGYNLA-UHFFFAOYSA-N 406.417 3.188 0 40 HGAB CC[C@@H](C)NC(=O)Cn1c(=O)n(CCc2ccccc2)c(=O)c2oc3ccccc3c21 71326917 CXVFFHAKNZPAEY-MRXNPFEDSA-N 419.481 3.067 0 40 HGAB O=C(COc1ccccc1)NCC(=O)Nc1cc(-c2ccc(C(F)(F)F)cc2)no1 72311544 LCUWEJHJOZRZLY-UHFFFAOYSA-N 419.359 3.494 0 40 HGAB CC[C@H](Cn1nc(-c2ccc(F)c(F)c2)ccc1=O)NC(=O)c1cnn(C(C)C)c1 72324142 QUMPLTVGJPRJEB-MRXNPFEDSA-N 415.444 3.175 0 40 HGAB O=C(COc1coc(CN2CCCCCC2)cc1=O)NCc1ccccc1Cl 72405798 SWISQVDAJFNYMI-UHFFFAOYSA-N 404.894 3.364 0 40 HGAB CN(C)C[C@@H]1CCCCN1C(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1 78752157 DQLYZGHBQLZQDR-FQEVSTJZSA-N 415.559 3.068 0 40 HGAB Cc1oc(C(=O)O[C@@H](C)c2ccc3c(c2)OCO3)cc1S(=O)(=O)N1CCCC1 84028435 FPISSTQKFINZTH-LBPRGKRZSA-N 407.444 3.019 0 40 HGAB c1ccc(Cc2nnc(CN3CCN(Cc4noc(-c5cccs5)n4)CC3)o2)cc1 89840367 KETDWLLCIRFINE-UHFFFAOYSA-N 422.514 3.090 0 40 HGAB COc1ccc(-c2nnc(CN3C(=O)N[C@@](C)(c4cc5ccccc5o4)C3=O)o2)cc1 89917173 ADRMQZZIJMDQNY-QFIPXVFZSA-N 418.409 3.459 0 40 HGAB COC(=O)c1ccccc1NC(=O)CSc1nccc(N2C[C@H](C)C[C@@H](C)C2)n1 90610137 WHIOSBFBVHPGIB-HUUCEWRRSA-N 414.531 3.476 0 40 HGAB COc1cccc(-n2cc(C(=O)NCc3c(C)nn(C)c3C)c3ccccc3c2=O)c1 95474009 MEDIEPXWRYXFHX-UHFFFAOYSA-N 416.481 3.280 0 40 HGAB COC(=O)c1nc(NC(=O)c2ccc(Cl)cc2-n2cnnn2)sc1CC(C)C 95474535 ZAINCPNRZYZDGH-UHFFFAOYSA-N 420.882 3.010 0 40 HGAB CN(CC(=O)Nc1ccccc1Cl)C(=O)CN[C@H]1CCCC[C@H]1C(F)(F)F 95941234 SSZRIIYEEQRPCW-OCCSQVGLSA-N 405.848 3.448 0 40 HGAB CCN(CC)C(=O)C[C@@H]1CC2(CCN(S(=O)(=O)C3CC3)CC2)c2ccccc21 96053073 DLBWPEGFNKXHBL-QGZVFWFLSA-N 404.576 3.258 0 40 HGAB CCOC(=O)[C@@]1(C)Oc2cc(NC(=O)CSc3ccccc3)ccc2NC1=O 96182241 YAUYEARHHNNEOC-FQEVSTJZSA-N 400.456 3.070 0 40 HGAB COC(=O)C[C@H](c1cnn(C)c1)c1c(O)n[nH]c1Cc1ccc(OC(F)(F)F)cc1 96230815 NQWMLXHYGKTPNO-CQSZACIVSA-N 424.379 3.033 0 40 HGAB CC(=O)[C@H]1[C@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=NN21 101407765 KYMCRXNRHMJWMS-CWBXHPNXSA-N 409.445 3.307 0 40 HGAB O=C(CCCC(=O)N1CCN(c2cccc(Cl)c2)CC1)NC[C@@H]1C[C@@H]2C=C[C@@H]1C2 169680687 CINBZKSZUDJVRV-QRVBRYPASA-N 415.965 3.487 0 40 HGAB CCOc1ccc(N([C@@H](CC)C(=O)Nc2ccccc2OC)S(C)(=O)=O)cc1 220665680 BKQHBMXQJYYEIY-SFHVURJKSA-N 406.504 3.277 0 40 HGAB CCc1ccccc1N(CC(=O)N[C@@H](C)c1ccc2c(c1)CCC2)S(C)(=O)=O 223166708 GOMOAIVVKHRAGS-INIZCTEOSA-N 400.544 3.381 0 40 HGAB Cc1ccc(C)c(OCCNC(=O)[C@@H](C)N(c2ccc(C)c(C)c2)S(C)(=O)=O)c1 223999379 GOUSEVUJWFQAPV-LJQANCHMSA-N 418.559 3.270 0 40 HGAB CCc1ccc(N([C@@H](C)C(=O)NCCOc2cc(C)ccc2C)S(C)(=O)=O)cc1 224034001 QKCSCWGIAXBIKK-SFHVURJKSA-N 418.559 3.216 0 40 HGAB Cc1ccc(N(CCCC(=O)NCCOc2ccc(F)cc2)S(C)(=O)=O)cc1C 224055069 SSOHWENUBJPAOB-UHFFFAOYSA-N 422.522 3.184 0 40 HGAB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NC[C@@H]3CCCO3)cc2C)cc1 224207273 CFWVIONPEAFFOZ-SFHVURJKSA-N 402.516 3.037 0 40 HGAB Cc1ccc2c(c1)[C@H](NC(=O)[C@@H](c1ccccc1)N(C)S(C)(=O)=O)CC(C)(C)O2 225595555 KXENHVFKHXSZQX-UYAOXDASSA-N 416.543 3.346 0 40 HGAB Cc1ccc2c(c1)C(=O)CC1(CCN(S(=O)(=O)Cc3ccccc3F)CC1)O2 225817334 HSMJLCCPTHETIK-UHFFFAOYSA-N 403.475 3.464 0 40 HGAB O=C1[C@H]2[C@@H]3C=C[C@@H]([C@@H]2C(=O)N1CN(C(=O)C(F)(F)F)c1ccc(Cl)cc1)[C@@H]1C[C@H]31 226400729 BMFUNSUHUHFQAF-ODICJLLRSA-N 424.806 3.246 0 40 HGAB Cc1nc(N)cc(C2(C)CCN(C(=O)C3(Cc4ccccc4)CCOCC3)CC2)n1 257211981 CBKICOQTTLXQEH-UHFFFAOYSA-N 408.546 3.287 0 40 HGAB Cc1ccc(O[C@@H](C)C(=O)N2CCC(c3cncc(Nc4cnccn4)n3)CC2)cc1 257242905 IERAAVUPLYJEOY-KRWDZBQOSA-N 418.501 3.492 0 40 HGAB Cc1cc(C)nc(N2CCO[C@H](c3cc(CCOc4ccc(F)c(F)c4)[nH]n3)C2)n1 257313234 URMYHBLQZFELSB-FQEVSTJZSA-N 415.444 3.294 0 40 HGAB CC(C)(C)OC(=O)N1CCN[C@]2(CCCN(C(=O)OCc3ccccc3)CC2)C1 306145614 KMSUUURLBMUGNO-QFIPXVFZSA-N 403.523 3.388 0 40 HGAB COc1ccc(Cl)cc1NC(=O)CCC(=O)OCC(=O)Nc1ccccc1OC 408646933 QJVXVFOIMWYIHC-UHFFFAOYSA-N 420.849 3.258 0 40 HGAB Cc1cccc(-n2c(SCC(=O)NC[C@@H]3CCCO3)nnc2-c2ccncc2)c1 409215994 HCOSFMGWTQBTNU-SFHVURJKSA-N 409.515 3.025 0 40 HGAB Cc1cccc(CN2CC[C@H]3[C@H](CC(=O)NCCC4CCOCC4)OC[C@H]3C2)c1 1565551786 VMSMBMRSZFWRIZ-ZLNRFVROSA-N 400.563 3.155 0 40 HGAB CCC[C@@H](O)[C@H](CO)NC(=O)c1sc(NC(=O)c2ccccc2Cl)cc1C 1570210759 FZRSNQPMLCKYTO-LSDHHAIUSA-N 410.923 3.214 0 40 HGAB CC1=C2CC(=O)OC(C)(C)C2=CC[C@]2(C)C3=C(COC3=O)[C@](C)(C(=O)[C@@H](C)O)C[C@H]12 1772592107 ZUTWSWQKZGMWHN-NNDDVCDHSA-N 414.498 3.194 0 40 HGAB CC(C)C[C@]1(O)CCN(S(=O)(=O)Cc2ccccc2)C[C@@H]1Oc1ccccc1 1848357375 RRNDSVDDQCOTHG-FCHUYYIVSA-N 403.544 3.447 0 40 HGAB COc1ccc2c(=O)n(CC3CCN(C(=O)Cc4cccc(C)c4)CC3)cnc2c1 1848660937 XJINBBDGGZXCDJ-UHFFFAOYSA-N 405.498 3.195 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cc(C)ccc3OC)CC2)cc1 784032 UODCXZUQEMTGMD-UHFFFAOYSA-N 418.515 3.052 0 40 HGAB COc1cc(OC)c([C@H]2SCCN2S(=O)(=O)c2ccc(C)cc2)cc1OC 855085 OCQHWMNQQWGBHO-LJQANCHMSA-N 409.529 3.457 0 40 HGAB CC1=C(C(N)=O)[C@@H](c2ccc(O)cc2)n2nc(SCc3ccccc3F)nc2N1 958586 UTNFNAFFLNCLCF-QGZVFWFLSA-N 411.462 3.189 0 40 HGAB O=C1C[C@H](Sc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2)[C@@H]2CO[C@H]1O2 970251 PBCOBQHRAKETTK-YDHLFZDLSA-N 400.353 3.477 0 40 HGAB CCOc1ccc(-c2nnc(SCC(=O)Nc3ccccc3OCC)n2N)cc1 2409311 DXQUBLZPPUWCGI-UHFFFAOYSA-N 413.503 3.187 0 40 HGAB COc1ccc(/C=C/C(=O)OCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c(OC)c1 2617621 NPZVAGRVBBQDGL-XBXARRHUSA-N 420.805 3.461 0 40 HGAB CC(C)OC(=O)N[C@@H](OCN1C(=O)c2ccccc2C1=O)C(Cl)(Cl)Cl 2689731 BKSKUZYQLIIQCV-ZDUSSCGKSA-N 409.653 3.088 0 40 HGAB C[C@H]1C[C@@H](C)CN(C(=O)COC(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)C1 3294014 IOKGEGDVFAMGFC-IYBDPMFKSA-N 420.465 3.149 0 40 HGAB O=C(Nc1ccc2c(c1)OCO2)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 3458302 LOURDGKBIFVPRK-UHFFFAOYSA-N 422.462 3.419 0 40 HGAB Cc1ccc(N2C[C@@H](NC(=O)N3CCN(c4ccccc4F)CC3)CC2=O)cc1C 4272597 JDGBDXMLRPAKHR-SFHVURJKSA-N 410.493 3.080 0 40 HGAB COc1ccc(N2C[C@H](NC(=O)N3CCC(Cc4ccccc4)CC3)CC2=O)cc1 4479540 JUZKYJAGITUMAQ-HXUWFJFHSA-N 407.514 3.465 0 40 HGAB COc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cccc(OC)c3O)C2=O)cc1 4681534 JBVWCGZNCJDEJY-YBEGLDIGSA-N 414.439 3.084 0 40 HGAB CC(=O)N1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc4c(c3)OCO4)=NN12 4980941 DRHQMAUEWDHYHB-IBGZPJMESA-N 405.454 3.297 0 40 HGAB Cc1cc(C)c(NC(=O)COC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)c(Cl)c1 5204369 UTDRABLTAHMZFU-AWEZNQCLSA-N 404.850 3.080 0 40 HGAB Cc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3n2CCO[C@H]3c2ccc(F)cc2)cc1 5348701 DHGWHDTXFWNYBB-QFIPXVFZSA-N 419.456 3.273 0 40 HGAB CC(=O)Nc1ccc(S(=O)(=O)N2CCc3cc4c(cc3[C@@H]2C)OCCCO4)cc1 5354905 SISLJBTWXMPNDL-AWEZNQCLSA-N 416.499 3.114 0 40 HGAB Cc1ccc(NC(=O)CN(C)C(=O)COC(=O)c2nc(-c3ccccc3)oc2C)cc1 5537128 MHCDHRLUNSYQPK-UHFFFAOYSA-N 421.453 3.212 0 40 HGAB C[C@H]1CN(S(=O)(=O)c2cc(Br)ccc2Br)C[C@H](C)O1 6314687 RMOMRWHNHUFESX-IUCAKERBSA-N 413.131 3.010 0 40 HGAB C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NC(=O)CN3CCCCCC3)cc2)C1 7339652 ZXMUBSCVNKOHLD-HDICACEKSA-N 407.580 3.168 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)/C=C/c2cc(OC)ccc2OC)cc1 7769706 QGAQWSWQLRVSPO-VGOFMYFVSA-N 418.515 3.386 0 40 HGAB O=C(N[C@H]1C[C@H]2C(=O)Nc3ccc(-c4ccsc4)cc3C(=O)N2C1)c1ccccc1 8296985 KXTFEXUHPPSOBY-PXNSSMCTSA-N 417.490 3.380 0 40 HGAB biogenic,in-vitro CNC(=O)c1ccc(NC(=O)CSc2nc(C3CC3)n(-c3ccccc3)n2)cc1 8327298 KBCDTIACDBUJAY-UHFFFAOYSA-N 407.499 3.235 0 40 HGAB Cc1nnc(NC(=O)CCCC(=O)OCC(=O)Nc2cccc(Cl)c2C)s1 8474563 LTCVIWCRWNNYEC-UHFFFAOYSA-N 410.883 3.099 0 40 HGAB C[C@@H](Sc1nnc(C2CC2)n1-c1ccccc1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 9205979 HVOWKGOZXFXILY-GFCCVEGCSA-N 420.498 3.434 0 40 HGAB CC(C)[C@H](NS(=O)(=O)c1c(Cl)cccc1Cl)C(=O)NCc1ccccn1 9220363 BWFQGSPLGJQDLX-HNNXBMFYSA-N 416.330 3.008 0 40 HGAB CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3cc(C)c4ccccc4n3)CC2)cc1 9340546 BUZXXDGIDSOJRT-UHFFFAOYSA-N 424.526 3.013 0 40 HGAB O=C(CC[C@@H]1NC(=O)N(CCc2ccccc2)C1=O)N[C@H]1CCCc2ccccc21 9419615 HYNCOVBRYUDZPA-SFTDATJTSA-N 405.498 3.124 0 40 HGAB CC(C)OC(=O)C[C@H](NC(=O)N1CCN(C(=O)C(C)C)CC1)c1ccccc1Cl 9460309 WCMYQEVEVSMECI-SFHVURJKSA-N 423.941 3.233 0 40 HGAB O=C(NCCOc1ccc2ccccc2c1)c1cccc(S(=O)(=O)N2CCCC2)c1 9727819 UIUFEAXBPIRSRF-UHFFFAOYSA-N 424.522 3.433 0 40 HGAB CS(=O)(=O)c1ccc(-c2ccc(NC(=O)Cc3ccc(Cl)cc3)cc2)nn1 9786971 GJJSQNLTHGSPCF-UHFFFAOYSA-N 401.875 3.382 0 40 HGAB O=C(CSc1nnc(-c2ccco2)o1)c1ccc(S(=O)(=O)N2CCCC2)cc1 9885040 HJQDMABJSVCUSD-UHFFFAOYSA-N 419.484 3.089 0 40 HGAB NC(=O)N[C@H](CC(=O)OCc1cc(=O)oc2cc3c(cc12)CCC3)c1ccccc1 11938792 UEKCATVBUHWHNJ-LJQANCHMSA-N 406.438 3.125 0 40 HGAB CCCn1c(CN2CCC3(CC2)NC(=O)c2cccnc2N3CC)nc2ccccc21 12143619 BXBPXMSOZARQMI-UHFFFAOYSA-N 418.545 3.403 0 40 HGAB Cc1cc([C@@H]2CCCCCN2S(=O)(=O)c2ccc(N3CCCC3=O)cc2)no1 12187790 IZKMMDPWBRGLLK-IBGZPJMESA-N 403.504 3.416 0 40 HGAB C[C@@H](NC(=O)COc1cccc(N2CCCC2=O)c1)c1ccc(-n2ccnc2)cc1 12547486 GVKBWDDKGWPLGH-QGZVFWFLSA-N 404.470 3.255 0 40 HGAB COc1cccc(-c2cc(CNC(=O)[C@H]3CC(=O)N(c4ccc(F)cc4)C3)no2)c1 12637546 SMBNBYYEDNAFHA-HNNXBMFYSA-N 409.417 3.159 0 40 HGAB Cc1cc(N2CCN(CC(=O)Nc3ccc(F)cc3Cl)CC2)nc(C(C)C)n1 12768187 ONJHCLTZMZWHJA-UHFFFAOYSA-N 405.905 3.462 0 40 HGAB CCc1ccc2nc(NC(=O)c3ccc(OC)c(S(=O)(=O)N(C)C)c3)sc2c1 12798397 HMKKYRHZONOIFW-UHFFFAOYSA-N 419.528 3.370 0 40 HGAB CNS(=O)(=O)Cc1ccc(CNC(=O)c2sc(-c3ccsc3)nc2C)cc1 12877778 ULEHYLZAQGHQFS-UHFFFAOYSA-N 421.569 3.159 0 40 HGAB COc1cc2c(cc1OC)CN(C[C@@H](O)COc1ccc(Br)cc1)CC2 12904108 IUHWDFPIIVOATI-QGZVFWFLSA-N 422.319 3.264 0 40 HGAB Cc1ccc(C)c(NC(=O)[C@@H](C)Sc2nnc(-c3ccco3)n2CCC(N)=O)c1 12945728 MKJHDHFJFPUBBA-CQSZACIVSA-N 413.503 3.150 0 40 HGAB O=C(O)[C@H]1CC=CC[C@H]1C(=O)Nc1ccccc1NS(=O)(=O)c1ccc(F)cc1 13469678 NHWSVAGUASKVBH-CVEARBPZSA-N 418.446 3.232 0 40 HGAB Cc1cccc(N2C(=O)C[C@H](Sc3cccc(NC(=O)/C=C/C(=O)O)c3)C2=O)c1C 13576406 COLJXPQBEGZVKH-BBVFFXRHSA-N 424.478 3.307 0 40 HGAB NC1=NC(SCC(=O)Nc2ccc(Cl)cc2)=N[C@H](c2c[nH]c3ccccc23)N1 13579115 KXTVYQBZSPRDKS-QGZVFWFLSA-N 412.906 3.466 0 40 HGAB COc1ccccc1-c1ccc(N2CCN(C(=O)Cc3cccc(C)c3)CC2)nn1 13661757 AYUPVLCVIHFSRI-UHFFFAOYSA-N 402.498 3.352 0 40 HGAB O=C(CN1CCN(c2nc(-c3ccccc3)nc3ccccc23)CC1)N1CCCCC1 14190729 PYXQJXRZIWWWPF-UHFFFAOYSA-N 415.541 3.431 0 40 HGAB CSCC[C@@H](C(=O)Nc1cccc(C(C)=O)c1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 14240223 YJUNABWBIVRHDU-KSZLIROESA-N 402.516 3.125 0 40 HGAB O=C(COc1ccc(N2CCCC2=O)cc1)N1CCN(c2ccccc2Cl)CC1 15658116 MMQYHDNSRCPOAE-UHFFFAOYSA-N 413.905 3.194 0 40 HGAB CCOc1ccc(N2C(=O)c3ccc(C(=O)N4C[C@H](C)O[C@H](C)C4)cc3C2=O)cc1 17324501 KTNXDGVEDPQVLJ-GASCZTMLSA-N 408.454 3.135 0 40 HGAB O=C(c1cc(C2CCN(Cc3ccc(Cl)cc3)CC2)no1)N1CCC[C@@H](O)C1 19333815 HOZBNBORKNWGPE-GOSISDBHSA-N 403.910 3.305 0 40 HGAB O=c1[nH]c(-c2ccccn2)nc2c1CCN(Cc1coc3ccc(Cl)cc3c1=O)C2 19402361 TUJXNALLVNVAGI-UHFFFAOYSA-N 420.856 3.150 0 40 HGAB CNC(=O)[C@@]1(Cc2ccc(-c3cccs3)cc2)CN(C(=O)c2cccnc2)CCO1 19591880 OPRYLZOGUOAYET-HSZRJFAPSA-N 421.522 3.010 0 40 HGAB CCn1cc(CN(C)Cc2nc(C)c3c(n2)N(Cc2ccc(F)cc2)C(=O)CC3)cn1 19698655 YVGXQTQZKNWTLY-UHFFFAOYSA-N 422.508 3.252 0 40 HGAB COc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)Cn3cc(C)cn3)CC2)c1 19746975 BTLUAVVZQRYZDX-QFIPXVFZSA-N 424.545 3.134 0 40 HGAB Cc1nc([C@@H]2CCCN(Cc3cccnc3)C2)ncc1C(=O)NCc1ccccc1 19766285 CKBPLDHMLWTILE-OAQYLSRUSA-N 401.514 3.490 0 40 HGAB O=C(COc1ccc(S(=O)(=O)NC2CCCC2)cc1)Nc1cc(F)ccc1F 20019338 JGQPHVWWCMJRGQ-UHFFFAOYSA-N 410.442 3.203 0 40 HGAB Cc1ccc(C)c(N(CC(=O)NC23CC4CC(CC(C4)C2)C3)S(=O)(=O)N(C)C)c1 20244907 QRLOOSJAKIQENV-UHFFFAOYSA-N 419.591 3.001 0 40 HGAB O=C(CSc1nc2c(=O)[nH]cnc2n1-c1ccccc1)Nc1ccc(F)cc1F 20530628 BZFXYDLBMPOERN-UHFFFAOYSA-N 413.409 3.118 0 40 HGAB CCOC(=O)[C@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@@H]1c1ccc(CC)cc1 20802132 XEAZBKHMCCVLHR-NHCUHLMSSA-N 421.497 3.360 0 40 HGAB CCSc1nnc(NC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)s1 21280015 JCNZVOJEYRUPNO-UHFFFAOYSA-N 421.573 3.398 0 40 HGAB CCOc1ccccc1NC(=O)c1cc(OC)c(OC)cc1N(CC)S(C)(=O)=O 22252031 GBAAYGDOKBLXLL-UHFFFAOYSA-N 422.503 3.141 0 40 HGAB COc1ccccc1NC(=O)CCN1CCN(C(=O)c2ccc(Cl)cc2)CC1 23005435 BVAMPHRJYXZWBU-UHFFFAOYSA-N 401.894 3.135 0 40 HGAB COc1cccc([C@@]2(C)NC(=O)N(C[C@@H](O)COc3ccc4ccccc4c3)C2=O)c1 24086967 JDJQIGWCLHCYNA-NTKDMRAZSA-N 420.465 3.055 0 40 HGAB CC(=O)N1CCC(C(=O)Nc2cc3c(cc2F)CCC(=O)N3)(c2ccccc2)CC1 25302687 ODWVDZNNGYNZAU-UHFFFAOYSA-N 409.461 3.229 0 40 HGAB COc1ccc(OC)c(NC(=O)[C@H](C)N2CCN(C/C=C/c3ccccc3)CC2)c1 25606571 IDYZZBVNLUNTBE-VQFGERMISA-N 409.530 3.362 0 40 HGAB COCCCN1C(=O)[C@H](CC(=O)Nc2ccc(F)c(F)c2)n2c1nc1ccccc12 30937515 YVPLSDMLBHPCAC-SFHVURJKSA-N 414.412 3.268 0 40 HGAB O=C(COc1ccccc1)NCCNC(=O)c1cccc2c3c([nH]c12)CCCCC3 31391436 WSKDMDKLHUPYNX-UHFFFAOYSA-N 405.498 3.362 0 40 HGAB CCCCc1ccc(N2C[C@H](C(=O)Nc3ccc4c(c3)NC(=O)CO4)CC2=O)cc1 32795949 KNFBDAQXFNYGRY-MRXNPFEDSA-N 407.470 3.352 0 40 HGAB CCn1c(SCC(=O)Nc2ccc(OC)c(Cl)c2)nc2ncccc2c1=O 32876472 LQDZQRQIUOGTQL-UHFFFAOYSA-N 404.879 3.204 0 40 HGAB CSc1ccc(C(=O)CCC(=O)NC2CCN(C(=O)c3ccco3)CC2)cc1 32893789 FRHOMEWDBDPSHU-UHFFFAOYSA-N 400.500 3.385 0 40 HGAB Cc1ccc(-c2cc(C(=O)NC3CCCCC3)nn2[C@@H]2CCS(=O)(=O)C2)cc1 33325507 VJQUECFQYOOYNL-GOSISDBHSA-N 401.532 3.281 0 40 HGAB COc1cccc(C(=O)Nc2nnc(SCC(=O)NCc3cccs3)s2)c1 35313074 QQRQZCZXNUQHKU-UHFFFAOYSA-N 420.541 3.269 0 40 HGAB CCOc1c(C(=O)NC)cn(C)c1-c1nc2cc(NC(=O)CC(C)C)ccc2n1C 36369855 IKAOOFPDFTUVQR-UHFFFAOYSA-N 411.506 3.322 0 40 HGAB biogenic CCn1ccc(-c2cc(C(=O)Nc3ccnn3CC(F)F)c3c(C)noc3n2)n1 36617981 DUUQSWVQPXOIEU-UHFFFAOYSA-N 401.377 3.129 0 40 HGAB C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(Br)cc1 54200535 YLYWJJDIAICPNN-JTQLQIEISA-N 417.712 3.408 0 40 HGAB CCN1CCC[C@H](CNc2cnn(-c3ccc(C(F)(F)F)cn3)c(=O)c2Cl)C1 58060274 CJLSHKZPIFHVJV-GFCCVEGCSA-N 415.847 3.444 0 40 HGAB C[C@@](O)(CCc1ccccc1)CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 61975995 YTZIVGZVBWQEHW-QGZVFWFLSA-N 403.422 3.247 0 40 HGAB O=C(c1ccccc1)N1CCCCC[C@@H]1C1CCN(Cc2nnnn2C2CC2)CC1 70011897 QTHRAPDHBCMOCC-OAQYLSRUSA-N 408.550 3.305 0 40 HGAB CN(C[C@@H]1CCCCO1)c1ncc(Br)c(N(C)C[C@@H]2CCCCO2)n1 79046809 HSHYNNFSILBTMG-GJZGRUSLSA-N 413.360 3.250 0 40 HGAB Cc1ccc(NC(=O)/C=C/c2cccc(Cl)c2)cc1S(=O)(=O)N1CCOCC1 89651250 ZPVRDKZHJXZUNC-SOFGYWHQSA-N 420.918 3.321 0 40 HGAB CN(C)Cc1cccc(CNC(=O)[C@@H](Cc2ccccc2)NC(=O)c2cccs2)c1 95349801 CCTGLBWJHIEKOC-OAQYLSRUSA-N 421.566 3.467 0 40 HGAB CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1NC(=O)C=C1CN(C(=O)OC(C)(C)C)C1 95444722 MVIWNPCBGXDBEP-JKSUJKDBSA-N 409.527 3.116 0 40 HGAB Cc1ccc(NC(=O)c2ccccc2NC(=O)C[C@H](NCc2ccco2)C(=O)O)cc1 96305821 SVDCLGIGKRCPGR-FQEVSTJZSA-N 421.453 3.412 0 40 HGAB CCN(CC)S(=O)(=O)c1cccc(C2=N/C(=C/c3sccc3C)C(=O)O2)c1 96991077 MZVCZEGEXBTDLJ-FOWTUZBSSA-N 404.513 3.432 0 40 HGAB O=C(NCCCn1ccnc1)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccco1)N2 100619420 KEOOPWCVXLHHMW-SWLSCSKDSA-N 408.384 3.153 0 40 HGAB COc1cc(CN2Cc3ccccc3C[C@@H]2C(=O)N2CCCCC2)cc(OC)c1O 199431433 PFNXJPDTTBCTKA-HXUWFJFHSA-N 410.514 3.349 0 40 HGAB Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCN(C)C)n1-c1cccnc1 223219339 JMSZAGRNERAHIX-VXKWHMMOSA-N 420.586 3.500 0 40 HGAB C[C@H]1Cc2cc(S(=O)(=O)NCc3ccncc3)ccc2N1C(=O)c1ccccc1 223267188 FXIICCYCNVWORS-INIZCTEOSA-N 407.495 3.152 0 40 HGAB COc1ccc(-c2noc(CN(C)S(=O)(=O)Cc3cccc(C)c3)n2)cc1OC 223626311 KZCIRTRZFBYKDY-UHFFFAOYSA-N 417.487 3.024 0 40 HGAB COc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3C4)cc2)cc1 223982186 DSIQFGBKRZPAOT-YYFZDKIDSA-N 400.500 3.414 0 40 HGAB CC[C@H](C(=O)N[C@@H](C)c1ccccc1OC)N(c1ccc(C)cc1)S(C)(=O)=O 224715426 ZWOUPTGQFRSZEY-QFBILLFUSA-N 404.532 3.426 0 40 HGAB Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)NC[C@H](C)c3ccccc3)s2)c1 225138547 ZQQVHOYJEXCISK-AWEZNQCLSA-N 416.528 3.181 0 40 HGAB CCOc1ccc(CCCNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 225570065 RWLAZPVCUVKENF-UHFFFAOYSA-N 416.543 3.232 0 40 HGAB COc1ccc(NC(=S)NCc2ccccc2CN2CCOCC2)cc1OC 225777793 SIXLDZJYAMDQNL-UHFFFAOYSA-N 401.532 3.023 0 40 HGAB CCCCn1c(CN2CC[C@@H]3CCCC[C@H]3C2)nc2cc(S(N)(=O)=O)ccc21 245237528 MGJMOSOSEXRDQM-IRXDYDNUSA-N 404.580 3.496 0 40 HGAB Cc1ccsc1C=c1sc2nc(-c3ccccc3Br)nn2c1=O 254605796 BNHGSNIGRKQHKD-UHFFFAOYSA-N 404.314 3.498 0 40 HGAB COc1cccc(CCNC(=O)[C@H]2C[C@H]3CC[C@H]2C[C@@]32NC(=O)c3ccccc3N2)c1 257245322 IOZBHVINFLTJKN-FHHVHTCRSA-N 419.525 3.342 0 40 HGAB Cc1nc([C@H]2CCCN(C(=O)CCc3ccccc3)C2)nc(C)c1CC(=O)NC1CC1 257270417 MUCXXLQUVQXCAX-FQEVSTJZSA-N 420.557 3.253 0 40 HGAB NC(=O)c1ccc(-c2cccc([C@H]3CN(C(=O)Cc4ccc(F)cc4)CCO3)n2)cc1 257282122 OSKDCGXJUFZWLV-JOCHJYFZSA-N 419.456 3.129 0 40 HGAB CC1=CC(C)(C)N(C(=O)CN2CCC[C@](C(N)=O)(c3ccccn3)C2)c2ccccc21 257303162 SGAGPXJHAIVEIP-RUZDIDTESA-N 418.541 3.129 0 40 HGAB Cc1cc(CN2CCC[C@]3(CN(CCc4ccccc4)CC(F)(F)C3)C2=O)n(C)n1 306124569 BTRCRLOXUQDVGW-QFIPXVFZSA-N 416.516 3.421 0 40 HGAB Cn1cc(C(=O)N2CC3(C2)OCC[C@H]3CCOCc2ccccn2)c2ccccc21 306126780 FFCYLNFAQJBEDF-GOSISDBHSA-N 405.498 3.411 0 40 HGAB CC(C)OC(=O)c1ccc(N2C[C@@H](C(=O)OCC(=O)c3cccs3)CC2=O)cc1 408636551 ADERAZGGUWZVMC-HNNXBMFYSA-N 415.467 3.092 0 40 HGAB Cc1c(Cl)cccc1N1C[C@H](C(=O)OCC(=O)Nc2ccc(F)cc2)CC1=O 408669447 WCYVSRDJJFBDGJ-CYBMUJFWSA-N 404.825 3.322 0 40 HGAB CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)c2ccc(N3C(=O)c4nccnc4C3=O)cc2)C1 408977711 XTCLSIPOVONWRW-QMHKHESXSA-N 404.470 3.318 0 40 HGAB Cc1cccc(C(=O)N[C@@H]2C(=O)N/[N+](=C\c3ccc(F)cc3)[C@H]2c2ccccc2)c1 409056444 GOKDFCIEXDHKQE-NXTBZVMJSA-O 402.449 3.150 0 40 HGAB COc1cc(C(=S)N2CCOCC2)ccc1OCC(=O)Nc1c(C)cccc1C 409220788 FUNNSRTYKLAVQS-UHFFFAOYSA-N 414.527 3.337 0 40 HGAB Cc1cnn(CCC(=O)N2CCOC[C@@H]2c2c(C)nn(Cc3ccccc3)c2C)c1 501157988 CZWCNJAUBMTMLW-OAQYLSRUSA-N 407.518 3.043 0 40 HGAB COCCNC(=O)CCCCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]12 524731764 JWSPEZWWERQLTG-QFIPXVFZSA-N 421.497 3.124 0 40 HGAB biogenic COc1cc2c(cc1OC)[C@@H](NC(=O)[C@H]1CCCN(c3nc(C)cc(C)n3)C1)CC2 524734016 NWEYKBDZPHWNDE-HKUYNNGSSA-N 410.518 3.131 0 40 HGAB CNS(=O)(=O)c1cc(C(=O)N2CCc3c(Cl)cc(Cl)cc3[C@H]2C)co1 535902298 JHXBQODSCYHHIG-SECBINFHSA-N 403.287 3.254 0 40 HGAB Cc1ccc2oc(C(=O)N3CCNC(=O)[C@@H]3c3ccccc3C(F)(F)F)cc2n1 542869976 GQZRKULESSMMJN-KRWDZBQOSA-N 403.360 3.468 0 40 HGAB COc1ccc(C2(C(=O)N3CCC[C@@H](c4nnc5ccccn45)C3)CCOCC2)cc1 545995928 CODLHPYVZDQISW-GOSISDBHSA-N 420.513 3.192 0 40 HGAB C[C@H]1c2nnc(C3CCCC3)n2CCN1CC(=O)Nc1ccc2c(c1)OC(F)(F)O2 561925643 PKVDLXLEHHQABW-LBPRGKRZSA-N 419.432 3.273 0 40 HGAB O=C(C1CCOCC1)N1CCC(c2cccc(-c3noc(C(F)(F)F)n3)n2)CC1 585289952 NQSILVWWUQDHBI-UHFFFAOYSA-N 410.396 3.283 0 40 HGAB Cn1nc2c(c1CN1CCN(c3ncnc(-c4ccccc4)c3F)CC1)CCCC2 1888904024 SLQKPPIGOGZSIT-UHFFFAOYSA-N 406.509 3.217 0 40 HGAB O=C(CCCCn1c(=O)[nH]c2ccccc2c1=O)N1CC=C(c2ccccc2)CC1 2952359 FVHABSJYEHNATM-UHFFFAOYSA-N 403.482 3.176 0 40 HGAB COc1ccc(OC)c(NC(=O)COC(=O)CCc2nc3ccccc3s2)c1 3312796 YNADDYBLNYCTAG-UHFFFAOYSA-N 400.456 3.428 0 40 HGAB Cc1ccc(C)c(C(=O)COC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)c1 3334017 YAKCTZTWWIIIBG-UHFFFAOYSA-N 409.891 3.003 0 40 HGAB CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(NC(=O)Cc3ccccc3)C(=O)[C@H]12 3669297 WYLLJUJZUTXHPC-ZOVQAKDCSA-N 422.484 3.327 0 40 HGAB COc1ccc(NC(=O)C(=O)NC[C@@H](c2ccco2)N2CCc3ccccc32)cc1 4305235 HDRGVVDJQSIXRH-FQEVSTJZSA-N 405.454 3.147 0 40 HGAB O=C(NCCc1ccccc1)c1nc(Cn2c(C(F)(F)F)nc3ccccc32)no1 4626007 GODCKWGWPLKWJW-UHFFFAOYSA-N 415.375 3.459 0 40 HGAB Cc1ccc(CNC(=O)COc2ccc(S(=O)(=O)NCC(C)C)cc2Cl)cc1 4689052 FMNVRRSGIQHAQT-UHFFFAOYSA-N 424.950 3.278 0 40 HGAB COc1cc(CNCCSc2nnnn2C)ccc1OCc1ccc(Cl)cc1 4998047 JGFGMXKVGDYHHZ-UHFFFAOYSA-N 419.938 3.333 0 40 HGAB C[C@@H]1CCCC[C@H]1NC(=O)Cn1c(CC(=O)NCc2ccco2)nc2ccccc21 5264781 PDOJSWZUYWALLO-SJLPKXTDSA-N 408.502 3.183 0 40 HGAB CN1C(=O)c2cccc3c(S(=O)(=O)Nc4ccc5oc(=O)sc5c4)ccc1c23 6142841 OQNFWFAEBFVORM-UHFFFAOYSA-N 412.448 3.399 0 40 HGAB CCc1nnc2n1N[C@@H](c1ccc(F)cc1)[C@H](C(=O)Nc1ccccc1OC)S2 6812133 QNHCMLLCIKAYSA-ZWKOTPCHSA-N 413.478 3.386 0 40 HGAB CC(=O)c1c(C)[nH]c(C(=O)COC(=O)C[C@@H](NC(N)=O)c2ccc(Cl)cc2)c1C 7508619 RQQFHGVZTVASTP-OAHLLOKOSA-N 419.865 3.013 0 40 HGAB O=C(c1cc2ccccc2o1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 7542966 HTVCBFHFOGKVHP-UHFFFAOYSA-N 410.495 3.068 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)CN(C)Cc2ccccc2)c1 7785830 PSIHJQRGQNCXAQ-UHFFFAOYSA-N 403.548 3.096 0 40 HGAB O=C(N[C@@H]1CCCc2ccccc21)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 8077908 BJSMMTZNLNMROV-LAUBAEHRSA-N 416.518 3.420 0 40 HGAB O=C(COc1ccc(Cl)cc1Cl)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 8130967 MCUXSZXETOTBTC-AWEZNQCLSA-N 406.331 3.331 0 40 HGAB COC(=O)c1cn(CC(=O)N[C@H](C)c2ccc3c(c2)OCCCO3)c2ccccc12 9028239 UZVGJWOMTKDIBZ-OAHLLOKOSA-N 408.454 3.467 0 40 HGAB O=C1N[C@H](Cc2c[nH]c3ccccc23)C(=O)N1CC(=O)N(C1=CCCCC1)C1CC1 9216741 DPHKFKHSXWPNLM-HXUWFJFHSA-N 406.486 3.080 0 40 HGAB CC(=O)Nc1ccc(-c2csc(NC(=O)Cn3cnc4ccccc4c3=O)n2)cc1 9508344 AEPBIKZAEMNIOF-UHFFFAOYSA-N 419.466 3.117 0 40 HGAB CNS(=O)(=O)c1cc(C(=O)NCc2ccc3cc(OC)ccc3c2)ccc1Cl 9936901 VDGGPUPLWIVJFL-UHFFFAOYSA-N 418.902 3.340 0 40 HGAB O=C(CSc1nnc(-c2c[nH]c3ccccc23)o1)N1CCN(c2ccccn2)CC1 9951160 OOVFAWDZTHPDCF-UHFFFAOYSA-N 420.498 3.054 0 40 HGAB CCCNS(=O)(=O)c1cc(C(=O)Nc2ccc(F)cc2)ccc1N1CCCC1 10009874 KAIOIPMCVPFXBB-UHFFFAOYSA-N 405.495 3.367 0 40 HGAB CNC(=O)[C@H]1CN(C(=O)CSC2=Nc3ccccc3CS2)c2ccccc2O1 11232419 DBMZVUGJYGYONF-QGZVFWFLSA-N 413.524 3.194 0 40 HGAB O=C(Nc1ccccc1)C1CCN(C(=O)CC[C@H]2Cc3ccccc3NC2=O)CC1 11331532 RFJNOLPRTYKLEK-IBGZPJMESA-N 405.498 3.455 0 40 HGAB COc1cc([C@@H]2[C@@H](C(=O)Nc3ccc(Cl)cc3)[C@@H](C)Nc3ncnn32)ccc1O 11694870 AXBUNIMTJDZABI-CNOZUTPLSA-N 413.865 3.304 0 40 HGAB CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(N2CCCC2=O)c(C)c1 11743946 IKOJVUZQKFAGKU-NRFANRHFSA-N 418.497 3.289 0 40 HGAB O=C(C[C@@H]1CSc2nc3c(cnn3-c3ccccc3)c(=O)n21)N1CCCCCC1 12232878 FFFVKKNVXFTGKD-MRXNPFEDSA-N 409.515 3.022 0 40 HGAB CCCCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)NCc1ccc(C)cc1 12265878 LUCWNHRKSWGANO-XMMPIXPASA-N 405.498 3.390 0 40 HGAB COc1ccc2nc(-c3cccc(NS(=O)(=O)c4cc(F)ccc4F)c3)cn2n1 12441306 BCCWHJWICRKEIJ-UHFFFAOYSA-N 416.409 3.484 0 40 HGAB Cc1cnc2c(S(=O)(=O)N(C)[C@@H](C)c3ccc(S(C)(=O)=O)cc3)cccc2c1 12526621 UPRCJASGENKAOO-HNNXBMFYSA-N 418.540 3.328 0 40 HGAB Cc1cc2ccccc2n1CC(=O)NCc1ccc(CS(=O)(=O)NC(C)C)cc1 12557885 IZGBBEOREDIQSF-UHFFFAOYSA-N 413.543 3.094 0 40 HGAB O=S(=O)(N=[S@](=O)(c1ccc(N2CCCC2)cc1)C(F)(F)F)C(F)(F)F 12623893 FSTSVBPRTYCNJJ-DEOSSOPVSA-N 410.361 3.483 0 40 HGAB CNS(=O)(=O)c1cc(C(=O)Nc2ccc3nc(C(C)(C)C)[nH]c3c2)ccc1OC 12781991 NOOYTMDPZLIFCO-UHFFFAOYSA-N 416.503 3.029 0 40 HGAB Cc1nn(CC(=O)Nc2ccc(Cl)cc2)c(C)c1S(=O)(=O)N1CCC(C)CC1 12789749 CHBJUCDPCBQYJL-UHFFFAOYSA-N 424.954 3.213 0 40 HGAB CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](c2ccc3c(c2)OCCCO3)C(C)C)cc1 12997334 FYKGNOJLXHUFNI-OAQYLSRUSA-N 418.515 3.482 0 40 HGAB COc1cc(C(=O)Nc2ccc(C(C)C)cc2)c(N(C)S(C)(=O)=O)cc1OC 13582574 MCBGZUCGOVATMW-UHFFFAOYSA-N 406.504 3.475 0 40 HGAB COc1ccc(CSC2=N[C@@H]3CS(=O)(=O)C[C@H]3N2CCc2ccccc2)cc1 13692143 FKHKGDFJKYSBFG-WOJBJXKFSA-N 416.568 3.008 0 40 HGAB COC(=O)c1cc(NC(=O)CCCN2C(=O)c3ccccc3C2=O)ccc1Cl 13717380 GNARWWZAMMYEQS-UHFFFAOYSA-N 400.818 3.142 0 40 HGAB COc1ccc(C(=O)N(C)Cc2ccccc2)cc1S(=O)(=O)NCc1ccccc1 13847210 VQFMGFDCYMVBCM-UHFFFAOYSA-N 424.522 3.446 0 40 HGAB CCN1CCN(C(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)c(C)c3)c2)CC1 14154387 YWALPURCQBDBDF-UHFFFAOYSA-N 415.559 3.190 0 40 HGAB COc1ccc(C)cc1NC(=O)[C@H](CCSC)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 14247830 ZVOUHFNADVZIJJ-ZOBUZTSGSA-N 404.532 3.239 0 40 HGAB CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccccc1Cl 15989395 FBXDZDCDEJXLBM-UHFFFAOYSA-N 424.906 3.012 0 40 HGAB O=C([C@H]1CN(C(=O)c2cc(Cl)ccc2Cl)c2ccccc2O1)N1CCOCC1 16964320 SMDAUUWKYAYLQV-GOSISDBHSA-N 421.280 3.260 0 40 HGAB O=C(C1CC1)N1CCCc2cc([C@@H](O)CN3CCN(c4ccc(F)cc4)CC3)ccc21 19335373 KUWZSAMMJLDNLN-DEOSSOPVSA-N 423.532 3.371 0 40 HGAB O=c1[nH]c(CN2CCN(C/C=C/c3ccccc3)CC2)nc2sc3c(c12)CCC3 19362532 UNSQGRVVJWCYQE-VMPITWQZSA-N 406.555 3.304 0 40 HGAB O=C(NC1CCCCC1)c1cc([C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)no1 19373620 UNRLNLMXOWBMPH-INIZCTEOSA-N 417.531 3.305 0 40 HGAB O=C1CCCCCN1CC(=O)N1CCC[C@H]1c1nnc(-c2nccc3ccccc23)o1 19376442 ZZFZGLBQWRLPTI-SFHVURJKSA-N 419.485 3.351 0 40 HGAB Cn1c(=O)n(C)c2cc(CCC(=O)NCc3cccc(N4CCCCC4)c3)ccc21 19714245 JPSWDABJZIJRSC-UHFFFAOYSA-N 406.530 3.116 0 40 HGAB COc1ccc([C@H](CC(=O)NCC(C)C)N(C)S(=O)(=O)c2ccccc2)cc1 19935765 BIAASMRQEDCULR-FQEVSTJZSA-N 404.532 3.219 0 40 HGAB O=C(NCCCc1ccc(F)cc1)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 20458523 HQOFJEBZDDWWIJ-INIZCTEOSA-N 410.536 3.037 0 40 HGAB C[C@H]1C[C@H](C)CN(S(=O)(=O)N(C)CC(=O)Nc2c(Cl)cccc2Cl)C1 24830234 ALEIUFOQEXOQPZ-RYUDHWBXSA-N 408.351 3.086 0 40 HGAB CCc1cccc(N2C[C@H](C(=O)N(C)CC(=O)Nc3ccccc3CC)CC2=O)c1 24841681 XIQBDWJCHXNVKQ-LJQANCHMSA-N 407.514 3.261 0 40 HGAB O=C1C[C@@H](C(=O)Nc2nc3ccccc3nc2N2CCCC2)c2ccc(F)cc2N1 25246335 NORNUZAIZPJHGB-OAHLLOKOSA-N 405.433 3.434 0 40 HGAB O=C(NCc1ccccc1Cn1ccnc1)[C@H]1CCCN(C(=O)Nc2ccccc2)C1 25665943 WFBPRAGUPXBACX-NRFANRHFSA-N 417.513 3.492 0 40 HGAB COc1ccc(OC)c([C@@H](C)NC(=O)CSc2nnc(C3CCCCC3)n2N)c1 27117800 NGBKEWNNPQKDNA-CYBMUJFWSA-N 419.551 3.026 0 40 HGAB COc1ccc(C(=O)Nc2cccc(-c3csc(C)n3)c2)cc1S(N)(=O)=O 29614178 JOGAPENYBFZFGW-UHFFFAOYSA-N 403.485 3.027 0 40 HGAB O=C(NCCSCc1ccccc1)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 32711151 UCCYBRAVFDKTBL-LJQANCHMSA-N 418.584 3.137 0 40 HGAB CCN(Cc1ccccc1)C(=O)[C@H](C)N1CCN(c2cc(C)nc(C(C)C)n2)CC1 32797354 JNNLAMDZSZLIAR-FQEVSTJZSA-N 409.578 3.468 0 40 HGAB C[C@H]1CCCN(Cc2ccccc2CNC(=O)CCNC(=O)Cc2ccccc2)C1 32930733 MMMFEDLPTPFDHV-FQEVSTJZSA-N 407.558 3.284 0 40 HGAB CCc1ccc(N(CC(=O)NCc2ccc(OC)cc2)C(=O)c2csnn2)cc1 35289224 RFZJLLMQQAQQDB-UHFFFAOYSA-N 410.499 3.072 0 40 HGAB CC(C)C(=O)NCCNC(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1 36656264 OQLALTGWJKZKCO-IBGZPJMESA-N 415.921 3.090 0 40 HGAB O=S(=O)(NCCCCN1CCO[C@H](c2ccccc2)C1)c1cccc(Cl)c1 36700355 BEFPHUNPSZOGNT-FQEVSTJZSA-N 408.951 3.472 0 40 HGAB COc1ccc(-c2nnc(NC(=O)c3cccc(NC(=O)C(F)(F)F)c3)o2)cc1 39745080 ZUYFJEQXUCBDNH-UHFFFAOYSA-N 406.320 3.498 0 40 HGAB Cc1nn(-c2ccc(F)cc2F)c(C)c1C(=O)Nc1ccc(NS(C)(=O)=O)cc1 40087693 CBRUXDPPUGEXSR-UHFFFAOYSA-N 420.441 3.391 0 40 HGAB Cc1cccc(NC(=O)CN2C(=O)N[C@](C)(c3ccccc3C(F)(F)F)C2=O)c1 40116687 PYEVXJJJNPJIMF-LJQANCHMSA-N 405.376 3.420 0 40 HGAB C[C@@H]1CN(c2ccc(NC(=O)NC[C@H](O)c3ccccc3F)cc2F)C[C@@H](C)O1 40121803 GKYNCOIHHZIGLS-JZKQVHKSSA-N 405.445 3.434 0 40 HGAB CCc1ccccc1NC(=O)[C@@H]1CC(=O)Nc2nc(Nc3ccc(C)cc3)[nH]c(=O)c21 40400391 QBZCKIPQSXEXLL-MRXNPFEDSA-N 417.469 3.449 0 40 HGAB CCn1c(SCc2cc(=O)n3nc(C)sc3n2)nnc1-c1ccc(OC)cc1 44030066 AAJJXSVXBRSMDP-UHFFFAOYSA-N 414.516 3.039 0 40 HGAB COc1ccccc1N1C[C@@H](C(=O)N[C@H](c2nc3ccccc3[nH]2)C(C)C)CC1=O 45673446 IDYMZSULGKPDBR-BTYIYWSLSA-N 406.486 3.438 0 40 HGAB C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)Nc1cccc(-c2nc(CC)cc(=O)[nH]2)c1 49304297 IDRJIWSIRVJRLS-HNNXBMFYSA-N 414.465 3.453 0 40 HGAB Cc1ccc2c(c1)N(Cc1cccc(Cl)c1)N=C(C(=O)N1CCCC1)S2(=O)=O 49402673 LRAOFYDKXCTLJR-UHFFFAOYSA-N 417.918 3.378 0 40 HGAB O=C(Cn1c(=O)n(-c2ccccc2)c(=O)c2sccc21)N[C@H]1CCc2ccccc21 57428951 NCCVRAWQAMZNIM-SFHVURJKSA-N 417.490 3.018 0 40 HGAB COc1ccc(CC(=O)Nc2nnc([C@H]3CC(=O)N(c4ccccc4)C3)o2)cc1C 62022987 RFQONOGDUAOEJP-INIZCTEOSA-N 406.442 3.088 0 40 HGAB CC(C)NC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)c2cc(C(C)(C)C)ccc2O1 64985433 OCWQKEKTFLSDRY-HXUWFJFHSA-N 416.543 3.465 0 40 HGAB CCOc1ccc(NC(=O)c2cn[nH]c2S(=O)(=O)N(C)c2ccc(C)cc2)cc1 67244907 LTSAWMUXVUWVDB-UHFFFAOYSA-N 414.487 3.194 0 40 HGAB CCN(CC)S(=O)(=O)N1CCC[C@@H]1c1cc(Nc2nc(C)cc(C)n2)cc(C)n1 72372530 YUHKPGFXNPKKIM-LJQANCHMSA-N 418.567 3.264 0 40 HGAB COCCc1ncc(CN2CCC(c3cccc(Nc4cc(C)on4)n3)CC2)cn1 72376183 NHKUGMCKJNGWSP-UHFFFAOYSA-N 408.506 3.480 0 40 HGAB COCCn1cc(C(=O)NCCn2ccc3cc(C)ccc32)c2ccccc2c1=O 72401194 MJAQNDJWGCRDSF-UHFFFAOYSA-N 403.482 3.341 0 40 HGAB COc1cccc(-n2cnc3c2[C@H](c2cc(OC)c(OC)c(OC)c2)CC(=O)N3)c1 78546704 MHCNMEBQIRFJFL-INIZCTEOSA-N 409.442 3.381 0 40 HGAB O=C(CCc1ncc(-c2ccccc2Cl)o1)N1CC[C@H](CN2CCOCC2)C1 78878515 KHVWYIIHMRIBHB-MRXNPFEDSA-N 403.910 3.108 0 40 HGAB Cc1cc2ncn(C[C@@H](NC(=O)CCS(=O)(=O)C3CCCC3)C3CC3)c2cc1C 79045659 SLVRODPLSNIXCJ-HXUWFJFHSA-N 417.575 3.295 0 40 HGAB O=C(Nc1cccc(S(=O)(=O)C(F)F)c1)Nc1ccccc1O[C@H]1CCOC1 79107036 GKIYZYCTTTYHKI-ZDUSSCGKSA-N 412.414 3.495 0 40 HGAB O=C([C@H]1CC(=O)N(c2ccccc2)C1)N1CCC(Oc2cnc3ccccc3n2)CC1 90678454 CTXPEGCHCMBWAL-KRWDZBQOSA-N 416.481 3.053 0 40 HGAB CC(C)C[C@@H](NC(=O)CNC(=O)c1ccc2ccccc2c1)C(=O)Nc1nccs1 95456297 VMYUASOMFYOXBP-GOSISDBHSA-N 424.526 3.196 0 40 HGAB O=C(O)c1ccc(S(=O)(=O)Nc2cnn(-c3ccccc3)c2C(F)(F)F)cc1 95469148 OGLJDNWILOSUCB-UHFFFAOYSA-N 411.361 3.390 0 40 HGAB O=C(CCc1cccnc1)N1C[C@@H]2CN(C3CCN(Cc4ccccc4)CC3)C[C@@H]2C1 96245526 HLAUECMPDRJKBI-PSWAGMNNSA-N 418.585 3.069 0 40 HGAB COc1cc2c(cc1OC)-c1cc(O/C=C(\O)c3ccccc3O)nc(=O)n1CC2 100768769 QYZRIZCYOICVDP-PDGQHHTCSA-N 408.410 3.125 0 40 HGAB biogenic COc1ccc2c(c1)[C@@H](CCNC(=O)C1(c3cccc(F)c3)CCOCC1)C(=O)N2 100782535 LAZYHHUJDOXMPH-GOSISDBHSA-N 412.461 3.125 0 40 HGAB COC(=O)Cn1/c(=N/C(=O)c2cc(OC)cc(OC)c2)sc2c(C)cc(C)cc21 100910591 YXGKOGYNSUNMTR-DQRAZIAOSA-N 414.483 3.251 0 40 HGAB Cc1ccc(C)c(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)c1 111882815 ZLKKYNLCRNKNBZ-HNNXBMFYSA-N 400.862 3.492 0 40 HGAB CCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)COc1ccccc1OC 223683590 FLXPODWNZQBVDZ-HNNXBMFYSA-N 404.894 3.281 0 40 HGAB CC[C@H](C)NC(=O)c1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)OC)c1 223799912 GRARFSUFXIHNNR-AWEZNQCLSA-N 404.488 3.111 0 40 HGAB CN(c1ccc(CC(=O)N2CCOc3ccccc32)cc1)S(=O)(=O)c1ccccc1 225979065 HKAFJMZPBKHETH-UHFFFAOYSA-N 422.506 3.480 0 40 HGAB O=Cc1ccccc1OC(=O)c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@@H]3C2=O)[C@@H]2C[C@H]42)c1 226405127 RFLWIOWPGUENSI-MGNVCTHBSA-N 413.429 3.276 0 40 HGAB CC(=O)N[C@H](C)C(=O)N1CC[C@@H]2O[C@@H]3c4cc(Cl)ccc4OC(C)(C)[C@H]3C[C@@H]2C1 257222775 DUQWJIJDEIXRSS-XQMQAJFASA-N 420.937 3.330 0 40 HGAB Cc1c(CN2CCO[C@@H](c3cc(CCOc4ccc(Cl)cc4)[nH]n3)C2)cnn1C 257240322 HSZRICQTLWGDFK-OAQYLSRUSA-N 415.925 3.300 0 40 HGAB O=C(c1cc(-c2ccccc2)[nH]n1)N1CC[C@@H](c2cccs2)S(=O)(=O)CC1 390829619 FKQPOAPGDSQCCH-SFHVURJKSA-N 401.513 3.140 0 40 HGAB CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cccc(OC)c3)C2)cc1 408558434 IZORJTNAZYTJHX-INIZCTEOSA-N 418.515 3.133 0 40 HGAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cccc(F)c2)cc1Cl 408600417 AWJGOGTVFZBRQZ-NSHDSACASA-N 400.859 3.183 0 40 HGAB O=C1C[C@H](C(=O)N2CCCC3=C[C@@H]4C[C@@H](CN5CCCC[C@H]45)[C@@H]32)CN1Cc1ccco1 409415189 WJXXWLHUWHORMV-BUIJDSLFSA-N 423.557 3.050 0 40 HGAB C[C@H]1Cc2cc(-c3ccc(CNC(=O)c4ccc5nnc(O)n5c4)cc3)ccc2O1 536516722 ZRKYLYLMXDDAGX-AWEZNQCLSA-N 400.438 3.355 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](n3cnc4ccccc4c3=O)C2)cc1Cl 575616168 HSUIIMANFXUGNR-OAHLLOKOSA-N 417.918 3.384 0 40 HGAB CC(C)N(Cc1ccccc1)C[C@@]1(O)CCN(C(=O)c2ccc(Cl)cc2)C[C@@H]1O 585283195 DBQZNNPWMJMVQW-GMAHTHKFSA-N 416.949 3.189 0 40 HGAB Cc1ccc(S(=O)(=O)c2nnc3c(-c4ccccc4)cnn3c2/C=C/N(C)C)cc1 1548338210 GXGPZDVTKQOBJX-BUHFOSPRSA-N 419.510 3.465 0 40 HGAB COc1ccccc1CC(=O)N1CCC(n2nc(-c3ccccc3)ccc2=O)CC1 1775970901 JDFKOQLWKPQGIJ-UHFFFAOYSA-N 403.482 3.325 0 40 HGAB COc1ccc(NC(=O)CN2CCC(Cn3c(C)nc4ccccc4c3=O)CC2)cc1 1849473618 ASRLSKXOOQFMJR-UHFFFAOYSA-N 420.513 3.064 0 40 HGAB COC1(CC(=O)N2CC[C@]3(CCc4nc(-c5ccccc5)cc(=O)n4CC3)C2)CCC1 2055771824 CDLUUIHFPZDWGP-DEOSSOPVSA-N 421.541 3.425 0 40 HGAB Cc1sc2nc(SCC(=O)CC(=O)Nc3ccccc3)n(C)c(=O)c2c1C 924697 RSGUGTQWIJATGD-UHFFFAOYSA-N 401.513 3.302 0 40 HGAB O=C(CCCN1C(=O)c2ccccc2C1=O)N1CCN(c2cccc(Cl)c2)CC1 1466675 FSSITCCMVRARMT-UHFFFAOYSA-N 411.889 3.065 0 40 HGAB C[C@@H]([C@@H](O)c1ccccc1)N(C)C[C@@H]1C(=O)O[C@@H]2CC3=CCC[C@H](C)[C@@]3(C)[C@@H](O)[C@@H]21 2126541 SYTZVGPWDLPTPO-IIMJTQLYSA-N 413.558 3.325 0 40 HGAB CC(=O)Oc1ccc2nc(-c3ccc4c(c3)C(=O)N(CC(C)C)C4=O)oc(=O)c2c1 3628203 RDFRABBPWHHEQX-UHFFFAOYSA-N 406.394 3.032 0 40 HGAB CC1CCN(S(=O)(=O)c2ccc(C(=O)Nc3nnc(-c4ccco4)o3)cc2)CC1 4264614 DRSSQMHVFMJIIS-UHFFFAOYSA-N 416.459 3.003 0 40 HGAB O=C1N(c2ccccc2)[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(Br)c1 4393419 BRFOYTWRAVZXFK-CVEARBPZSA-N 407.289 3.061 0 40 HGAB O=C(NC[C@H](c1ccco1)N1CCc2ccccc21)C(=O)Nc1ccc(F)cc1F 5152851 SYCXCMGVIAJDOZ-LJQANCHMSA-N 411.408 3.417 0 40 HGAB O=C1c2oc3ccc(Br)cc3c(=O)c2[C@@H](c2ccccc2)N1CCO 5557339 ZNZRUHJGSVPQNM-MRXNPFEDSA-N 400.228 3.093 0 40 HGAB C[C@H](NC(=O)COC(=O)C1CCN(C(=O)Nc2ccccc2)CC1)c1ccccc1 5971014 ZOKWQBSDNVWLGB-KRWDZBQOSA-N 409.486 3.351 0 40 HGAB O=C(COC(=O)c1cc(=O)[nH]c2ccccc12)Nc1cccc(Br)c1 6315968 SVVZINNXSMWNJJ-UHFFFAOYSA-N 401.216 3.086 0 40 HGAB CCOC(=O)c1c(-c2ccco2)csc1NC(=O)COC(=O)c1cnc(C)cn1 6350041 IZTQKVFAXJVDGG-UHFFFAOYSA-N 415.427 3.079 0 40 HGAB CN(Cc1ccccc1)S(=O)(=O)c1ccc(OCC(=O)NC2CCCCC2)cc1 6356976 SJUDYSMBYZTEIN-UHFFFAOYSA-N 416.543 3.335 0 40 HGAB CCN(CC)C(=O)CN(Cc1ccccc1)S(=O)(=O)c1cc(C)ccc1OC 6416062 CRUCWDIEJLCHHS-UHFFFAOYSA-N 404.532 3.063 0 40 HGAB Cc1cccc(-n2c(SCc3cn4ccccc4n3)nnc2N2CCOCC2)c1 6935191 AIOCLHONDJIPBD-UHFFFAOYSA-N 406.515 3.352 0 40 HGAB COc1ccc2c(c1)CCc1cc(C(=O)N3CCN(c4ncccn4)CC3)sc1-2 6938943 DVVFRRNFWABFRI-UHFFFAOYSA-N 406.511 3.275 0 40 HGAB COc1ccc(NC(=O)[C@@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)cc1Cl 7872038 BMSULWOIVCZXHN-LLVKDONJSA-N 400.859 3.281 0 40 HGAB Cc1cc(=O)c(C(=O)NCCCn2ccc3ccccc32)nn1-c1ccccc1F 8156649 VVCQMAPKDXDJLH-UHFFFAOYSA-N 404.445 3.455 0 40 HGAB C[C@H](C(=O)Nc1ccc2c(c1)CCC2)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 8328832 HIUQQGLVLDDPSV-MRXNPFEDSA-N 404.514 3.482 0 40 HGAB O=C(COC(=O)c1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)cc1)c1ccc(F)cc1 8722546 HQTZQRBVOIYZHP-LPTDTENNSA-N 419.408 3.177 0 40 HGAB COc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3ccc(C)c(Cl)c3)C2=O)cc1 8844939 NXEJBDTXXJCNKN-HXUWFJFHSA-N 401.850 3.063 0 40 HGAB COc1cc(/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)c(Br)cc1O 9260556 GBDKUPFBYPHYEM-MKMNVTDBSA-N 421.222 3.395 0 40 HGAB CC1(C)Cc2nc3sc4c(=O)n(CC(=O)Nc5ccccc5)cnc4c3cc2CO1 9458175 HCXAVUXNHSDGSR-UHFFFAOYSA-N 420.494 3.496 0 40 HGAB CS(=O)(=O)N1N=C(c2ccc3c(c2)OCO3)C[C@@H]1c1ccc(Br)cc1 9495057 BDJGSFMTPRILKE-OAHLLOKOSA-N 423.288 3.289 0 40 HGAB Cc1cc(C(=O)NCCCN2CCCCC2)ccc1NS(=O)(=O)c1ccccc1 10112050 WWRKWIUKZCRMDB-UHFFFAOYSA-N 415.559 3.402 0 40 HGAB Cc1ccc(Cl)cc1N([C@H](C)C(=O)NCCSC(C)(C)C)S(C)(=O)=O 10357074 GMNYJLNAMSGPOO-CYBMUJFWSA-N 407.001 3.451 0 40 HGAB CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)OCc2cc(-c3ccco3)on2)cc1 11216632 YIPLZAPIOACJMI-ZDUSSCGKSA-N 404.444 3.368 0 40 HGAB O=C(NCCNc1ccc(Nc2cccnc2)nn1)c1cccc(C(F)(F)F)c1 11796951 NNKRNTKVRDVGHX-UHFFFAOYSA-N 402.380 3.476 0 40 HGAB Cc1cc(-c2cc(O)nnc2C2CCN(C(=O)c3cc(F)cc(F)c3)CC2)on1 12236880 YRHIJCXMIPBJSR-UHFFFAOYSA-N 400.385 3.444 0 40 HGAB CC(=O)N1CCCc2cc([C@@H](O)CN3CCC(O)(c4cccc(C)c4)CC3)ccc21 12326559 UVRLYJQWDCYCBN-DEOSSOPVSA-N 408.542 3.311 0 40 HGAB O=C(N[C@@]1(C(F)(F)F)NC(=O)N(Cc2ccccc2Cl)C1=O)c1cccs1 12408992 VHHHGYPISUVWLU-OAHLLOKOSA-N 417.796 3.142 0 40 HGAB COc1ccc([C@H]2CC(=O)Nc3c2cnn3Cc2ccc3c(c2)OCO3)c(OC)c1 12419990 NMQSNFBWCDADHC-MRXNPFEDSA-N 407.426 3.151 0 40 HGAB CN(CC(=O)Nc1cccc(Br)c1)Cc1ccccc1N1CCOCC1 12760539 SMHNKZUOVMSGGY-UHFFFAOYSA-N 418.335 3.356 0 40 HGAB COc1cccc(NC(=O)CN(C)Cc2cc3c(cc2Br)OCCO3)c1 12760660 QVSIBDHEZOOXOR-UHFFFAOYSA-N 421.291 3.299 0 40 HGAB O=C(COc1cccc(Br)c1)NCc1ccc(Cn2cccn2)cc1 12819859 OSBFPYNVYOCHQV-UHFFFAOYSA-N 400.276 3.389 0 40 HGAB COc1cc2c(cc1OC)CN(C[C@@H](O)COc1cccc(Br)c1)CC2 12904126 PZGSHTMOUJEEIE-QGZVFWFLSA-N 422.319 3.264 0 40 HGAB COc1ccc([C@@]2(C)NC(=O)N(Cc3nc(-c4ccccc4C)no3)C2=O)cc1OC 13041246 VXHVNYMHHNJHBQ-JOCHJYFZSA-N 422.441 3.029 0 40 HGAB C[C@H]1CCC[C@@H](C)N1C(=O)CN1C(=O)N[C@@](C)(c2cccc(Br)c2)C1=O 13098705 HVJOUSQIARRJHK-QUJCMNEKSA-N 422.323 3.006 0 40 HGAB CCOc1ccc(N([C@@H](C)C(=O)Nc2cccc(OCC)c2)S(C)(=O)=O)cc1 13648526 VZYORUPLXNJIFK-HNNXBMFYSA-N 406.504 3.277 0 40 HGAB O=C(COCC(=O)N1CCN(c2ccccc2)CC1)Nc1cccc(C(F)(F)F)c1 13943768 CVYBNIWCYUWAFD-UHFFFAOYSA-N 421.419 3.009 0 40 HGAB CCN(CC(=O)NC(=O)Nc1ccccc1)CC(=O)Nc1ccccc1C(F)(F)F 15479250 XLZDFNQBVXMCQL-UHFFFAOYSA-N 422.407 3.314 0 40 HGAB Cc1[nH]nc2c1[C@@H](c1cnn(C)c1)c1c(ncn3nc(-c4ccccc4Cl)nc13)O2 17091671 ASMQHNSLUTZJIY-OAHLLOKOSA-N 418.848 3.496 0 40 HGAB O=C(COC(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1)c1ccc[nH]1 17165096 CTFHJKBOEDCTQF-UHFFFAOYSA-N 419.275 3.056 0 40 HGAB CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccsc1C(=O)OC 18050209 DTPXYOXMUKLTLK-UHFFFAOYSA-N 420.306 3.497 0 40 HGAB COC(=O)c1ccc(COC(=O)CCc2nc3ccccc3c(=O)n2C2CC2)cc1 18996334 CAKZULMEUUIYCD-UHFFFAOYSA-N 406.438 3.194 0 40 HGAB O=C([C@H]1CCCO1)N1CCc2nc(N3CCCC3)nc(Oc3ccc(F)cc3)c2C1 19336029 PKQUHEGZKRZPIV-LJQANCHMSA-N 412.465 3.072 0 40 HGAB COc1cccc(-c2cc(-c3cccnc3)nn2CCNC(=O)c2c[nH]nc2C)c1 19582448 PLAJZXPIUUEGTC-UHFFFAOYSA-N 402.458 3.082 0 40 HGAB COCCN1CCC[C@H]1c1nc(C)c2c(n1)N(CCCc1ccccc1)C(=O)CC2 19695965 JAEJSNVFKHVPAB-NRFANRHFSA-N 408.546 3.480 0 40 HGAB Cc1nn(C)cc1CN1CCC(Cc2nn(C)cc2C(=O)Nc2ccc(F)cc2)CC1 19756361 OMAGJSMNEOAIIP-UHFFFAOYSA-N 424.524 3.308 0 40 HGAB COc1c(F)cc2c(=O)c(C(=O)NCCc3ccccc3)cn(CCF)c2c1F 20725272 SJQILQCSOPQXQO-UHFFFAOYSA-N 404.388 3.230 0 40 HGAB COc1ccc(Cl)cc1NC(=O)C[C@H]1C(=O)Nc2nc(-c3ccc(C)cc3)nn21 20745361 FHKFJOWRDPGUGJ-HNNXBMFYSA-N 411.849 3.438 0 40 HGAB Cn1c(=O)n(CCC(=O)Nc2nc(-c3ccc4c(c3)CCO4)cs2)c2ccccc21 21536321 TUKGMIIDBBULED-UHFFFAOYSA-N 420.494 3.427 0 40 HGAB COc1ccc(-c2cc(CSc3nnc(C[C@@H]4CCS(=O)(=O)C4)o3)on2)cc1 22133027 MMEDZFBZXYDBQK-LBPRGKRZSA-N 421.500 3.003 0 40 HGAB O=C(NCCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cc(F)ccc1F 22227404 OHVZFZQFNSEJMR-UHFFFAOYSA-N 408.470 3.112 0 40 HGAB CCCOc1ccc(N(CC(=O)Nc2cc(C)ccc2OC)S(C)(=O)=O)cc1 22386913 JQRGEIHVPOKOAT-UHFFFAOYSA-N 406.504 3.197 0 40 HGAB Cc1ccc(S(=O)(=O)NC[C@H](c2cccs2)N2CCOCC2)c(Cl)c1 22514257 GTGJDFQHSAORMZ-OAHLLOKOSA-N 400.953 3.062 0 40 HGAB COc1cccc2sc(NC(=O)c3ccc4c(c3)CCCN4S(C)(=O)=O)nc12 23325663 CIIVRIQBAAAWEH-UHFFFAOYSA-N 417.512 3.269 0 40 HGAB CC(C)(CNC(=O)c1cc(-c2ccccc2)nn1-c1ccccc1)N1CCOCC1 23466476 HMYNNMZDDGKBFM-UHFFFAOYSA-N 404.514 3.380 0 40 HGAB CC(=O)c1ccc(S(=O)(=O)N2CCN(Cc3nc4ccccc4s3)CC2)cc1 24149358 OAYBZPQZNDTITK-UHFFFAOYSA-N 415.540 3.005 0 40 HGAB CN(CCNC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1)c1ccccc1 24241743 KLFAKJWRJNDJOS-UHFFFAOYSA-N 415.559 3.118 0 40 HGAB Cc1cc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)ccc1Br 27533413 QQJBTEWWDGYEQY-UHFFFAOYSA-N 409.349 3.264 0 40 HGAB O=C(Nc1ccccc1Br)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 28223453 YYLPXCNPYWKXHN-AWEZNQCLSA-N 423.332 3.489 0 40 HGAB CCCC[C@H](CC)CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 29430933 QDXVBSUTEQGALR-HNNXBMFYSA-N 416.971 3.307 0 40 HGAB Cn1c(CCNC(=O)c2ccccc2F)nnc1SCC(=O)c1ccc(F)cc1 32579305 LLCBHKCOGCOYCV-UHFFFAOYSA-N 416.453 3.041 0 40 HGAB COCCn1c(-c2ccc3[nH]c(=O)oc3c2)cs/c1=N\c1cccc(NC(C)=O)c1 32772211 DGCTVZYEMMVETK-ATJXCDBQSA-N 424.482 3.488 0 40 HGAB COc1cc(CS(=O)(=O)[C@H](C)C(=O)NCC2CCCCC2)ccc1OC(F)F 32929810 DHMPHQWORGOFBM-CYBMUJFWSA-N 419.490 3.296 0 40 HGAB Cc1ccc(-c2cc(C(=O)NCc3ccco3)nn2[C@@H]2CCS(=O)(=O)C2)cc1C 33325691 HSJUOXOZEBUVDL-QGZVFWFLSA-N 413.499 3.050 0 40 HGAB O=C(CN1CCN(C(=O)Cc2ccc(Cl)cc2)CC1)Nc1ccccc1Cl 34863217 JMBLWCJPXNTGHJ-UHFFFAOYSA-N 406.313 3.319 0 40 HGAB COc1ccccc1/C=C1\SC(=O)N(CC(=O)Nc2ccc3c(c2)OCO3)C1=O 34888503 DSVXJDPSXUUZIM-IUXPMGMMSA-N 412.423 3.099 0 40 HGAB Cc1sc(NC(=O)CN(Cc2ccccc2)C(=O)c2ccco2)c(C(N)=O)c1C 35312683 IJNLZEZUHZZMCT-UHFFFAOYSA-N 411.483 3.338 0 40 HGAB CCOC(=O)c1ccc(N2C[C@@H](C(=O)NCCc3c[nH]c4ccccc34)CC2=O)cc1 36370051 TXMIFKCSFHLZFO-SFHVURJKSA-N 419.481 3.056 0 40 HGAB biogenic O=C(NC1CCN(Cc2ccccc2)CC1)[C@H]1CCCN(C(=O)Cc2ccccc2)C1 36395498 OGBGEZOFZDCZCW-QHCPKHFHSA-N 419.569 3.249 0 40 HGAB CSCC[C@@H](NC(=O)[C@H]1Cc2ccccc2CN1)C(=O)Nc1cc(C)cc(C)c1 36550918 PDJBLAWXIUPELH-NHCUHLMSSA-N 411.571 3.194 0 40 HGAB C[C@H](NCC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1)c1ccc2c(c1)CCCC2 39738441 GCSGCLAYXMKOJF-JTSKRJEESA-N 418.603 3.174 0 40 HGAB Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(Nc4ccccc4)[nH]c(=O)c32)cc1C 40399168 RJKLURPTWGVXNI-INIZCTEOSA-N 403.442 3.195 0 40 HGAB O=c1[nH]c2ccccc2n1C1CCN(c2ccc(S(=O)(=O)C(F)F)cc2)CC1 43272562 QTABBSRVDCHJSR-UHFFFAOYSA-N 407.442 3.167 0 40 HGAB Cc1cccc(N2CCN(C[C@@H]3C(=O)O[C@@H]4CC5=CCC[C@H](C)[C@@]5(C)[C@@H](O)[C@@H]43)CC2)c1 49626712 VPMFYHWUKMLBMB-FYHVMQNLSA-N 424.585 3.402 0 40 HGAB biogenic COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N2CCC[C@H](C(=O)Nc3ccccc3)C2)c1C 57315436 VIBBHCIGAAZPIA-IRXDYDNUSA-N 411.502 3.340 0 40 HGAB CCN(C(=O)Cc1ccc(NC(=O)C(=O)c2c(C)nn(C)c2C)cc1)c1ccccc1 59339434 DUKLRUCTQZSKOU-UHFFFAOYSA-N 418.497 3.454 0 40 HGAB O=C(NCCN1CCc2ccccc2C1)NC[C@H]1CCN(c2ccc(F)c(F)c2)C1 65476386 WQYVUXUDFYXTSH-QGZVFWFLSA-N 414.500 3.149 0 40 HGAB O=C(CCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)N[C@@H]1CCOc2ccccc21 69598395 SXVHTKBQOVSRPF-OAHLLOKOSA-N 409.511 3.436 0 40 HGAB CCc1ccc(CNC(=O)c2cn(-c3ccc(-c4nc(CC)no4)cn3)cn2)cc1 71768334 ACAITRDTBPQYKK-UHFFFAOYSA-N 402.458 3.372 0 40 HGAB CCOc1ccc(NC(=O)C[C@@H]2SC3=NCN(c4ccccc4)CN3C2=O)cc1 72333000 SEFDRERGGLQIQD-SFHVURJKSA-N 410.499 3.149 0 40 HGAB Cc1csc([C@@](O)(CC(=O)N[C@H](C)c2nc(C(C)(C)C)no2)C(F)(F)F)n1 78935546 IIZVPNURTAQDSG-PSLIRLAXSA-N 406.430 3.149 0 40 HGAB C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)CN1C(=O)C[C@H](c2ccccc2F)C1=O 84636312 FKIKTWJYDLGXKR-OXJNMPFZSA-N 408.473 3.496 0 40 HGAB O=C(NCCNc1ccc(C(F)(F)F)cn1)C1(OCc2ccccc2)CCOCC1 89836634 RNNZKGMDSJXBQU-UHFFFAOYSA-N 423.435 3.395 0 40 HGAB COCCOc1ccc(S(=O)(=O)N[C@@H](C)CC(=O)c2ccc(F)cc2)cc1C 95449610 XYPDYVGPAARRHH-HNNXBMFYSA-N 409.479 3.099 0 40 HGAB COCCOc1ccc(C(=O)/C=C/c2ccc(OCCC(=O)O)c(OC)c2)cc1 96010316 VBXVDVZBXMAYPS-YCRREMRBSA-N 400.427 3.470 0 40 HGAB O=C(C[C@@H]1CC2(CCN(C(=O)c3ccccn3)CC2)Oc2ccccc21)NC1CC1 96053448 DOIBJNBLCRONRK-QGZVFWFLSA-N 405.498 3.291 0 40 HGAB COc1ccc(/C=C2/N=C(c3ccc(N4CCCC4=O)cc3)OC2=O)c(OC)c1OC 97998214 PQMRPGUVUMMHCZ-GHRIWEEISA-N 422.437 3.184 0 40 HGAB COc1cccc(C(=O)Oc2ccc(N3C(=O)[C@H]4[C@@H]5C=C[C@H]([C@H]6C[C@H]56)[C@@H]4C3=O)cc2)c1 101000304 SLTBMMZTCUCZOM-VXAPCQRLSA-N 415.445 3.472 0 40 HGAB O=C(Nc1ccc(F)cc1)[C@H](Cc1ccccc1)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 102087344 REJQFAZLCHIQCS-JPKZGUTDSA-N 404.441 3.183 0 40 HGAB COc1ccc(-c2noc(CNC(=O)C3CCN(Cc4ccc(F)cc4)CC3)n2)cc1 219425915 HRLBXLGOPAVQBF-UHFFFAOYSA-N 424.476 3.413 0 40 HGAB CN(c1ccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)c(Cl)c1)S(C)(=O)=O 222523036 NNKSXWHBFBCVJN-UHFFFAOYSA-N 421.906 3.115 0 40 HGAB CCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CCc1ccc2c(c1)OCCO2 223678886 VXHWOLPSYBZKCK-SFHVURJKSA-N 410.514 3.252 0 40 HGAB CCOc1ccc(S(=O)(=O)N(CC(=O)OC)c2cc(Cl)ccc2OC)cc1 224592371 CJQIOXSKGPMANQ-UHFFFAOYSA-N 413.879 3.116 0 40 HGAB CCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)COc1ccccc1OC 224977991 LCJVRUGTJQJPHZ-KRWDZBQOSA-N 414.502 3.026 0 40 HGAB CC[C@H](NC(=O)CN(Cc1ccccc1F)S(C)(=O)=O)c1ccc(OC)c(C)c1 225357244 SNPOLXVQBSCCEC-IBGZPJMESA-N 422.522 3.172 0 40 HGAB CCSc1nnc(NC(=O)[C@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)s1 225634683 BCSKRZPMSQSBSJ-VIFPVBQESA-N 420.969 3.097 0 40 HGAB CS(=O)(=O)N(CC(=O)NCCSc1ccccc1)Cc1ccccc1Cl 225721079 KVFSHMNIQDKCPR-UHFFFAOYSA-N 412.964 3.010 0 40 HGAB COc1cccc(N(C)C(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c1 226072503 WWXBDRJLZALGDS-UHFFFAOYSA-N 402.516 3.067 0 40 HGAB C[C@@H]1CCCCN1CCNC(=O)[C@H]1C[C@H]2CC[C@@]1(C)C[C@]21NC(=O)c2ccccc2N1 253596391 QTKGBJSIUXKRNT-BMKOKHFXSA-N 424.589 3.355 0 40 HGAB COc1cccc(-c2cncc([C@@H]3CN(C(=O)Cc4ccc(F)cc4)CCO3)n2)c1 257248250 JCVCQAUCYIKLJQ-QFIPXVFZSA-N 407.445 3.434 0 40 HGAB CN1Cc2nnc(-c3ccc(F)cc3)n2C2(CCN(C(=O)Cc3ccccc3)CC2)C1 306142948 XOYKATRYPWDLOA-UHFFFAOYSA-N 419.504 3.090 0 40 HGAB COC(=O)c1cccc(NC(=O)[C@H](C)N(c2ccc(C)c(C)c2)S(C)(=O)=O)c1C 408547674 LDRPGTYYVJAUBR-INIZCTEOSA-N 418.515 3.192 0 40 HGAB CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCCCCC3)C2)cc1C 408556588 DPDZEAKSAILINM-SFHVURJKSA-N 408.564 3.197 0 40 HGAB C[C@H](CNC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccco1)c1ccccc1 408707832 FMTAPDKLVVGNRP-MRXNPFEDSA-N 405.454 3.068 0 40 HGAB Cc1ccccc1OCc1nnc(SCC(=O)N2CCN(c3ccccc3)CC2)o1 409156279 NJHMNCJUCKIJQS-UHFFFAOYSA-N 424.526 3.398 0 40 HGAB CCN(CC)S(=O)(=O)c1cc(NCc2c(C)nc3sc(C)nn23)ccc1C 512370528 SIQVVTYUZRNIKH-UHFFFAOYSA-N 407.565 3.359 0 40 HGAB Cc1ccnc2c(S(=O)(=O)N[C@H](Cc3ccccc3)C(=O)N3CCCC3)cccc12 547639451 MZIIYIISEULYRY-HXUWFJFHSA-N 423.538 3.055 0 40 HGAB CC1CCN(Cc2ccccc2CNC(=O)CNC(=O)c2ccc3c(c2)CCC3)CC1 551062617 OEOBQIXOWHBHHI-UHFFFAOYSA-N 419.569 3.453 0 40 HGAB C[C@@](O)(Cn1ccccc1=O)C(=O)N1CCC(c2c(Cl)cccc2Cl)CC1 558574013 JLMNOSTXGRRAIT-HXUWFJFHSA-N 409.313 3.312 0 40 HGAB Cn1nccc1-c1cncc(CNC(=O)CC2CCN(C(=O)OC(C)(C)C)CC2)c1 575615057 BNSBUKDIVLBMDK-UHFFFAOYSA-N 413.522 3.136 0 40 HGAB CC(C)CCN1c2cccnc2-n2cccc2[C@]12CCN(C(=O)c1cnccn1)C2 585107049 PDUDZVVVVGJUDT-HSZRJFAPSA-N 402.502 3.270 0 40 HGAB COCCOc1nc(-c2ccccc2)nc2c1CCN(C(=O)c1c(C)noc1C)CC2 585111221 JTLLXNNPULLCNM-UHFFFAOYSA-N 422.485 3.015 0 40 HGAB FC(F)(F)Oc1ccc(CN2CCN(c3ncnc4c3ncn4C3CC3)CC2)cc1 814255305 GXVLUVNBQLXOCF-UHFFFAOYSA-N 418.423 3.382 0 40 HGAB COc1ccc(CC(=O)N2C[C@@H]3C[C@@H](COc4cncc(Cl)c4)O[C@@H]3C2)cc1F 1565555895 IXBDSKWPDAJGFV-GZRFBZBPSA-N 420.868 3.120 0 40 HGAB CN1CCN(C(=O)Cc2ccc(F)cc2)[C@@H](Cc2cccc(-c3ccncc3)c2)C1=O 1848351828 UIUVDYZKYSPMMO-QHCPKHFHSA-N 417.484 3.342 0 40 HGAB CC(C)(C)c1cn2nc(OCC3CCN(C(=O)c4ccnc(O)c4)CC3)ccc2n1 1888882027 TWQQXTZSASBMQS-UHFFFAOYSA-N 409.490 3.059 0 40 HGAB COc1ccc(CNC(=O)NCCc2ccc(-c3cnn(C)c3)s2)cc1OC 1889229707 IPRIIHMCKPBAEI-UHFFFAOYSA-N 400.504 3.208 0 40 HGAB CCCn1c(SCC(=O)Nc2ccc(OC)c(OC)c2)nnc1-c1ccccn1 1362825 QOXGOCFECWPVMG-UHFFFAOYSA-N 413.503 3.498 0 40 HGAB CCCOC(=O)[C@@H]1[C@H]2C=C[C@]3(CN([C@H](C)c4ccc(Br)cc4)C(=O)[C@H]13)O2 2429075 FMFOZGYRCXMSOM-MAECAPAWSA-N 420.303 3.245 0 40 HGAB COc1ccc(S(=O)(=O)NCCSc2nc3ccccc3s2)cc1OC 2500862 DMARGYHLAXZLDU-UHFFFAOYSA-N 410.542 3.384 0 40 HGAB Cc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)N(C)C3CCN(C)CC3)c2)c1 3256374 RSMVJYIYRGMWQP-UHFFFAOYSA-N 415.559 3.270 0 40 HGAB CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)Nc2ccc(OC)c(Cl)c2)c1C 3266576 GUKKPAWUWKEBQA-UHFFFAOYSA-N 408.838 3.266 0 40 HGAB C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1ccccc1C(=O)c1ccccc1)C2=O 3407983 NDBFOMOIJSKSJM-VOIUYBSRSA-N 419.481 3.357 0 40 HGAB C[C@@H]1CCc2sc(C(=O)N3CCN(S(=O)(=O)c4cccs4)CC3)cc2C1 3431726 NSCNIYFZCXDUMZ-CYBMUJFWSA-N 410.586 3.081 0 40 HGAB CC(C)CCN1C(=O)c2ccc(C(=O)Nc3ccccc3N3CCOCC3)cc2C1=O 3560309 VQFONACWOIFUNJ-UHFFFAOYSA-N 421.497 3.418 0 40 HGAB COCCCNC(=S)N(Cc1cc2ccc(OC)cc2[nH]c1=O)C1CCCC1 4133188 KYKQTIHLZLYOMP-UHFFFAOYSA-N 403.548 3.192 0 40 HGAB COc1ccc(OCc2nnc(S[C@H]3CCOC3=O)n2-c2ccccc2F)cc1 4246838 WBHYDNDOWHKQFR-KRWDZBQOSA-N 415.446 3.402 0 40 HGAB Cc1nc(-c2ccccc2)sc1CCNC(=O)C(=O)Nc1ccc2c(c1)OCO2 4392644 DJPIIULXTQYKBD-UHFFFAOYSA-N 409.467 3.145 0 40 HGAB COc1ccc(N2C(=O)N(c3ccc(C)c(Cl)c3)[C@@H]3CS(=O)(=O)C[C@H]32)cc1 4393699 KUYYHNKNPBHHQP-QZTJIDSGSA-N 406.891 3.269 0 40 HGAB Cc1ccc(NC(=O)CN2N=N[C@H]3C(=O)N(c4ccc(C(C)C)cc4)C(=O)[C@@H]32)cc1 4483870 LNSJSJPJXKGNAU-WOJBJXKFSA-N 405.458 3.050 0 40 HGAB Cc1cccc(-n2c(Cc3ccccc3)nnc2S[C@@H](C(=O)NC(N)=O)C(C)C)c1 4500501 DRLLYZKMQBBCJJ-LJQANCHMSA-N 423.542 3.478 0 40 HGAB O=C(CCCN1C(=O)c2ccccc2C1=O)OCC(=O)C12CC3CC(CC(C3)C1)C2 5020681 GJTFSPBGLATWTB-UHFFFAOYSA-N 409.482 3.392 0 40 HGAB Cc1ccc(N2CCCS2(=O)=O)cc1NS(=O)(=O)c1ccc2c(c1)CCCC2 5075796 AZSYJOCHIFBDBH-UHFFFAOYSA-N 420.556 3.215 0 40 HGAB COc1ccc(C(=O)OCc2nc3ccccc3[n+]([O-])c2C(=O)c2ccccc2)cc1 5478536 OFEORUZOQSWSAZ-UHFFFAOYSA-N 414.417 3.465 0 40 HGAB O=C(NC[C@@H](c1ccco1)N1CCCC1)C1CCN(C(=O)Nc2ccccc2)CC1 5704759 JEVFQJURPBJKJP-FQEVSTJZSA-N 410.518 3.477 0 40 HGAB Cc1sc(C(N)=O)cc1S(=O)(=O)Nc1ccc(NC(=O)c2ccccc2)cc1 6679914 YCDCPQOFPAAZTC-UHFFFAOYSA-N 415.496 3.209 0 40 HGAB CNC(=O)[C@@H]1CN(CC(=O)N(c2ccccc2)C2CCCCC2)c2ccccc2O1 7254799 MSEWZEHOBBEXJP-QFIPXVFZSA-N 407.514 3.366 0 40 HGAB Cc1cc(C)cc(NC(=O)COC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)c1 7758837 WEJPPJZLKKDJBF-UHFFFAOYSA-N 409.891 3.303 0 40 HGAB C[C@@]1(Cc2ccc3c(c2)OCO3)NC(=O)N(CCSc2ccccc2F)C1=O 8075351 CVCYEXGQRKZHDH-FQEVSTJZSA-N 402.447 3.200 0 40 HGAB CN(Cc1ccsc1)C(=O)CN1C(=O)N[C@](C)(c2cccc3ccccc23)C1=O 8327725 BPAGMANHOHWYLM-JOCHJYFZSA-N 407.495 3.327 0 40 HGAB C[C@@H](NCc1cc(=O)n2cc(Br)ccc2n1)c1ccc2c(c1)OCCO2 8403797 KLDIRPHJZRUCIT-GFCCVEGCSA-N 416.275 3.079 0 40 HGAB COc1ccc(CNC(=O)CCCN(c2ccc(Cl)cc2)S(C)(=O)=O)cc1 8478702 DJUKDTDHMQLEMQ-UHFFFAOYSA-N 410.923 3.211 0 40 HGAB COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)c2cccc(Cl)c2)c(F)c1 8810315 JOMFTCKUXYDMSO-NSHDSACASA-N 400.859 3.045 0 40 HGAB O=C1COc2ccc(NC(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)cc2N1 8885102 CVBJFRMAKSUNPI-UHFFFAOYSA-N 420.391 3.390 0 40 HGAB CCN1CCOc2ccc(NS(=O)(=O)c3ccc(OCC(C)C)cc3)cc2C1=O 8961641 KQCAOCSVIQWOFX-UHFFFAOYSA-N 418.515 3.377 0 40 HGAB COc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc4nccnc4c3)C2=O)cc1 9054069 FRDVILOFWAINAO-ZDLGFXPLSA-N 420.450 3.313 0 40 HGAB O=C(CCN1C(=O)S/C(=C/c2cccc(Cl)c2)C1=O)NCCCn1ccnc1 9187731 SPVZIHBKDRCTSS-FOWTUZBSSA-N 418.906 3.169 0 40 HGAB N=C1S/C(=C2\C(=O)Nc3ccc(Br)cc32)C(=O)N1c1nccs1 9353103 ZLEXGCHQSFIBFY-GQHUUPTASA-N 407.274 3.284 0 40 HGAB CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)[C@H]2COc3ccccc3O2)c1 9630821 RRGKONIQNQAZIL-OAQYLSRUSA-N 424.478 3.290 0 40 HGAB Cc1ccc(Cn2c(=O)c3c(nc4n3CCN4c3cccc(C)c3C)n(C)c2=O)cc1 10104740 YOYVMGGRBRTAGD-UHFFFAOYSA-N 415.497 3.022 0 40 HGAB CCOC(=O)c1cccc(NC(=O)[C@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)c1 10441300 XUNAIFARMJPLJA-ZDUSSCGKSA-N 424.906 3.310 0 40 HGAB CCOC(=O)c1ccc(C)c(NC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)c1 10444702 KJGPDSKALNNCCY-UHFFFAOYSA-N 424.906 3.230 0 40 HGAB CCOc1ccc(CNC(=O)[C@H](C)N(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1 10448762 WAUACEPSSBRGEQ-KRWDZBQOSA-N 404.532 3.173 0 40 HGAB CCCOc1cn(-c2ccc(F)cc2)nc1C(=O)N1CCC(C(=O)OCC)CC1 11694379 GOSABUWTVCJQOR-UHFFFAOYSA-N 403.454 3.216 0 40 HGAB CC(C)c1cc(=O)[nH]c(-n2nc(C3CC3)cc2NC(=O)COc2ccc(F)cc2)n1 12126319 WNBAUOKWDPDWPA-UHFFFAOYSA-N 411.437 3.113 0 40 HGAB CC(C)c1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)OCCCO3)c1 12750869 SMAFSHGPOUFBJE-UHFFFAOYSA-N 418.515 3.231 0 40 HGAB CCOc1ccc(CN(C)S(=O)(=O)c2ccc3c(c2)CCCN3C(C)=O)cc1 12888248 ZRHQKBJQXLTETL-UHFFFAOYSA-N 402.516 3.205 0 40 HGAB O=C(Cc1csc(NC(=O)c2ccccc2)n1)N[C@@H]1CCN(Cc2ccccc2)C1 12909070 CGVWRZIYFQLRCT-LJQANCHMSA-N 420.538 3.329 0 40 HGAB COc1cc(NC(=O)CCN2C(=O)[C@@H](C)Oc3ccccc32)c(OC)cc1Cl 12913791 NLTSCJWIDHVAMT-GFCCVEGCSA-N 404.850 3.500 0 40 HGAB C[C@@H](CCc1ccccc1)NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 12974515 OAAPDYVBIMKUBZ-SFHVURJKSA-N 400.544 3.225 0 40 HGAB COc1ccc(-c2ccc(=O)n(CCCNC(=O)Cc3ccc(Cl)cc3)n2)cc1 13796232 KSLACIJDHYCCBV-UHFFFAOYSA-N 411.889 3.321 0 40 HGAB CCCCCOc1ccc(/C=c2/sc3nc(-c4ccncc4)nn3c2=O)cc1OC 13801745 AHNGPAOYGCTCHK-XMHGGMMESA-N 422.510 3.338 0 40 HGAB CCn1c(SCC(=O)Nc2nnc(C3CC3)s2)nnc1-c1ccccc1OC 13945033 PWCHBAHLZAJHOH-UHFFFAOYSA-N 416.532 3.433 0 40 HGAB C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1ccc(OCC(F)(F)F)nc1 14526477 ZGABDGXEBFOKPX-CYBMUJFWSA-N 405.380 3.437 0 40 HGAB Cc1noc(-c2cnc(N(C)C)nc2-c2ccc(CNC(=O)c3cc[nH]n3)cc2)c1C 19558668 OLJBKCHPKFHMEM-UHFFFAOYSA-N 417.473 3.135 0 40 HGAB COc1ccc(C(=O)N2CCC(c3cc(C(F)(F)F)n4ncnc4n3)CC2)s1 19561941 LNZXBNBIGJWHPB-UHFFFAOYSA-N 411.409 3.233 0 40 HGAB Cc1nn(C(F)F)c(C)c1S(=O)(=O)N1CCC[C@H](c2cc3ncccc3[nH]2)C1 19577602 KHDOIMRINAUKRO-ZDUSSCGKSA-N 409.462 3.340 0 40 HGAB Cc1cc(-c2ccc(Cl)cc2)nc(SCC(=O)NCCCN2CCOCC2)n1 19681578 PWHVVTQSNLHQGU-UHFFFAOYSA-N 420.966 3.036 0 40 HGAB COc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](C)c2ccc(SC)cc2)cc1C 20013710 CMEUVSZSUBHJPR-HNNXBMFYSA-N 422.572 3.223 0 40 HGAB CCCNS(=O)(=O)c1cc(C(=O)N[C@H]2CCCc3ccccc32)ccc1OC 20025042 IPQKHLSBGMRKTA-SFHVURJKSA-N 402.516 3.191 0 40 HGAB CCOc1ccc([C@H](C)NC(=O)[C@H](C)N(c2ccc(OC)cc2)S(C)(=O)=O)cc1 20450485 WAEBOSMNRMYOQA-HOTGVXAUSA-N 420.531 3.126 0 40 HGAB CCCN(CC(=O)Nc1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(Cl)cc1 21027471 VCDCEGSVVDTVKK-UHFFFAOYSA-N 410.879 3.108 0 40 HGAB COc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2cc(F)ccc2F)c1 22230345 HGPQOWVKCVOMRM-KRWDZBQOSA-N 410.442 3.074 0 40 HGAB C[C@]1(c2ccc3c(c2)OCCO3)NC(=O)N(Cc2ncc(-c3ccc(F)cc3)o2)C1=O 22240502 WYMHAXMPBITMMT-JOCHJYFZSA-N 423.400 3.219 0 40 HGAB O=C([C@@H](c1ccccc1)N1CCN(Cc2cn3ccccc3n2)CC1)N1CCCCC1 22926298 VWBKVGNQESJMBY-XMMPIXPASA-N 417.557 3.206 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCN(Cc3ncc(-c4ccccc4)o3)CC2)c(C)c1 23881420 KROYDNLCWALPIC-UHFFFAOYSA-N 411.527 3.465 0 40 HGAB C[C@@H](C(=O)Nc1cccc2ncccc12)N1CCN(Cc2ccc3c(c2)OCO3)CC1 25528085 RVKXPAGIGXXXRJ-KRWDZBQOSA-N 418.497 3.108 0 40 HGAB CS(=O)(=O)N[C@H]1CCCN(C(=O)C2(c3cccc(C(F)(F)F)c3)CCCC2)C1 29200300 NTSBXVAGQFVKKD-INIZCTEOSA-N 418.481 3.057 0 40 HGAB Cc1ccc(-n2ncc([C@@H](C)NC(=O)c3cccc(NS(C)(=O)=O)c3)c2C)cc1 29282361 IOKDJPKFNXWALG-OAHLLOKOSA-N 412.515 3.352 0 40 HGAB COC(=O)c1oc(COC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccccc2)cc1C 30682453 VOWFOXDGDKVYKN-HXUWFJFHSA-N 421.449 3.459 0 40 HGAB CN(C(=O)[C@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1)C1CCCC1 30755520 TXIYRFPBSPWNLQ-OAQYLSRUSA-N 414.527 3.185 0 40 HGAB CCOc1ccc([C@@H](C)NC(=O)[C@@H](C)N(c2ccc(C)cc2)S(C)(=O)=O)cc1 30858243 GJXPNUVLFNLYKQ-IAGOWNOFSA-N 404.532 3.426 0 40 HGAB CCN(CC)C(=O)CN(C)C(=O)c1nc(-c2cccs2)n(-c2cccc(F)c2)n1 32716297 FACIZHTZMKPTIF-UHFFFAOYSA-N 415.494 3.075 0 40 HGAB O=C([C@@H]1CCCO1)N1CCN(Cc2nc(-c3ccccc3)c3ccccc3n2)CC1 32754336 AFYWGBFXNSDDPT-NRFANRHFSA-N 402.498 3.120 0 40 HGAB COc1ccc2nc(C)c(C(=O)NC[C@@H]3CN(Cc4ccccc4)CCO3)cc2c1 32902380 CMNDSSPPAMPUJK-OAQYLSRUSA-N 405.498 3.183 0 40 HGAB CCCS(=O)(=O)N1CCC(NC(=O)c2cc(Br)ccc2Cl)CC1 32925052 NTVVODWTCMLKAM-UHFFFAOYSA-N 423.760 3.037 0 40 HGAB O=C(c1ccc(F)cc1)[C@@H]1[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@H]2CCCN12 33370315 IPYORVPWOXDUSZ-YRXWBPOGSA-N 412.848 3.314 0 40 HGAB Cc1ccc(NC(=O)CN2CCN(C(=O)Nc3nc4ccccc4s3)CC2)cc1 34890455 XCJSNJAWAKECPM-UHFFFAOYSA-N 409.515 3.393 0 40 HGAB O=C(OCCCc1ccncc1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl 36395643 OQPRCPUFQHMUNS-UHFFFAOYSA-N 408.907 3.309 0 40 HGAB Cc1cc(S(=O)(=O)N2CCNC(=O)C[C@@H]2c2ccccc2)ccc1Br 40149723 YBOIBFWAVVTEPT-QGZVFWFLSA-N 423.332 3.009 0 40 HGAB O=C(O)c1cc2c(c(S(=O)(=O)Nc3cccc(N4CCCCC4=O)c3)c1)CCC2 40156791 LECNTFMPXNUGJV-UHFFFAOYSA-N 414.483 3.191 0 40 HGAB Cc1cccc(CN2CCC(C(=O)N[C@@H](C)c3ccc(S(C)(=O)=O)cc3)CC2)c1 44857117 YSNFTZCHFUASJS-SFHVURJKSA-N 414.571 3.488 0 40 HGAB O=C(NCc1ccnc(OCc2ccccc2)c1)[C@H]1CCCN(C(=O)N2CCCC2)C1 48303292 PNUYRZNXRNJWLJ-NRFANRHFSA-N 422.529 3.205 0 40 HGAB CCc1cc(=O)n(CC(=O)Nc2cccc(NC(C)=O)c2)c(-c2ccc(F)cc2)n1 57508838 LEYCZIKDZSUSBQ-UHFFFAOYSA-N 408.433 3.209 0 40 HGAB CC(=O)c1cccc(NC(=O)Cn2nnc(C(=O)Nc3cc(C)ccc3C)c2C)c1 67322961 URHXTZIOSDNLDC-UHFFFAOYSA-N 405.458 3.297 0 40 HGAB COc1cc(NC(=O)Cn2nnc(C(=O)Nc3ccc(C)cc3C)c2C)cc(OC)c1 71327264 JIVLKHGHBCFPAB-UHFFFAOYSA-N 423.473 3.112 0 40 HGAB CCCCN(C)S(=O)(=O)N1CCC2(CC1)C[C@H]2c1nnc(-c2cccc(F)c2)o1 71890639 VXIYHBOFIOHWBO-KRWDZBQOSA-N 422.526 3.422 0 40 HGAB CN(C1CCCCC1)S(=O)(=O)N1CCC2(CC1)C[C@H]2c1nnc2n1CCCCC2 71890655 KBTGLEOTGVCDHK-SFHVURJKSA-N 421.611 3.083 0 40 HGAB Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)[C@@H](C)c2c(C)nn(C)c2C)cc1C 72096567 RNSWQQRGJQMWAX-KSSFIOAISA-N 400.548 3.297 0 40 HGAB O=C(c1cn[nH]c1-c1ccc(Cl)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 72328644 GTUVDMOBYFDPNJ-UHFFFAOYSA-N 424.888 3.417 0 40 HGAB NC(=O)c1ccc(-c2cnc(N)nc2[C@H]2CCCN(C(=O)CC3CCCC3)C2)cc1 72346115 JEXXNORPVUWDOQ-SFHVURJKSA-N 407.518 3.111 0 40 HGAB CC(=O)Nc1cc(NC(=O)c2cc(Br)cnc2N(C)C)c(F)cc1F 79092592 AQTHRONCFGGTGL-UHFFFAOYSA-N 413.222 3.399 0 40 HGAB Cc1cc(NC(=O)C(=O)N(C)Cc2ccc(Br)cc2)ccc1N(C)C 95365159 RXGNPVVCDPMFHL-UHFFFAOYSA-N 404.308 3.421 0 40 HGAB Cc1[nH]c(-c2cccc(C(F)(F)F)c2)nc1C(=O)N1CCSC[C@H]1CC(=O)O 95989446 GEYWUCAXHNODJI-CYBMUJFWSA-N 413.421 3.436 0 40 HGAB CC[C@@H](C)NC(=O)c1cccc(CNC(=O)c2cc(Br)ncc2F)c1 95992989 AMXPXILRETXLEK-LLVKDONJSA-N 408.271 3.442 0 40 HGAB Cn1cc(-c2nc([C@@H]3CCCCCN3C(=O)c3cc(-c4ccco4)on3)no2)cn1 96001921 NTIMNWQJBWYGBO-HNNXBMFYSA-N 408.418 3.476 0 40 HGAB COc1ccc(NC(=O)C2=NO[C@]3(CCCN(C(=O)c4sccc4C)C3)C2)cc1 96074367 RRTSANOXSAZYCW-OAQYLSRUSA-N 413.499 3.455 0 40 HGAB COc1ccccc1-c1cn2c(n1)CO[C@@H](CNCc1ccc(NC(C)=O)cc1)C2 96296299 BWLPBMLEODEEDH-IBGZPJMESA-N 406.486 3.206 0 40 HGAB biogenic,in-vitro Cc1ccc(-n2nc(C)c(CC(=O)N3CC[C@@](O)(c4ccc(C)cc4)C3)c2O)cc1 100778983 RCXROXQRJDVYBU-DEOSSOPVSA-N 405.498 3.166 0 40 HGAB CC(C)[C@H](C(=O)OCC(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O 101145928 QVYDPTHOKUMAHH-BHHKEHIISA-N 417.889 3.122 0 40 HGAB O=C1[C@H]2ON=C(c3ccc(Cl)cc3Cl)[C@H]2C(=O)N1c1ccc2c(c1)OCCO2 101285384 VMNOQPPQVXIYII-WBVHZDCISA-N 419.220 3.057 0 40 HGAB O=C1Nc2ccccc2[C@@]12Nc1ccccc1-c1nc(=O)c(-c3ccc(F)cc3)nn12 102112493 GHSHIZYPVNPTQI-QHCPKHFHSA-N 411.396 3.190 0 40 HGAB COc1ccc(-c2cc(C(F)(F)F)nc(S[C@@H]3C[C@H](O)[C@H]4OC[C@H]3O4)n2)cc1 102999467 VTGVURHSGJTLAM-NHIYQJMISA-N 414.405 3.138 0 40 HGAB Cc1ccc(Cl)cc1NC(=O)COC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 107075689 NMYVMECKWTYXHJ-ZDUSSCGKSA-N 404.825 3.322 0 40 HGAB CCOC(=O)c1cccc(NC(=O)[C@@H](CC)N(c2ccc(F)cc2)S(C)(=O)=O)c1 219113344 YTKWNSUDJGLPEX-GOSISDBHSA-N 422.478 3.186 0 40 HGAB COc1ccc(C)cc1N([C@@H](C)C(=O)N[C@@H]1CCCc2ccccc21)S(C)(=O)=O 220346768 GPGAQUXHAGSDLM-QFBILLFUSA-N 416.543 3.352 0 40 HGAB CC(C)Oc1ccc(CNS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)cc1 222601292 QTCUMIIUCBJJPK-UHFFFAOYSA-N 414.527 3.251 0 40 HGAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21 222963145 JKDMBVVUQQOEFX-HXUWFJFHSA-N 416.543 3.300 0 40 HGAB COCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(CCOC)c1C 223050169 SWOZOFZSXNPHOX-UXHICEINSA-N 402.564 3.155 0 40 HGAB CN(C)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(O)cc1 223279708 WEAFRXZXXLMPLT-SFTDATJTSA-N 407.543 3.112 0 40 HGAB CC[C@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC(=O)O 224537996 BVPMIIMLKAWZFO-LHSJRXKWSA-N 410.470 3.141 0 40 HGAB COC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccc(OC)c(Cl)c1 224949784 JZOYIPHFHQKMKX-UHFFFAOYSA-N 404.271 3.370 0 40 HGAB CCCn1c(=O)sc2cc(S(=O)(=O)Nc3ccc4c(c3)OCCO4)ccc21 225724960 GWAQNHJDQQBPNV-UHFFFAOYSA-N 406.485 3.045 0 40 HGAB Cc1ccc(OC[C@H](C)NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)cc1C 225820283 MBPLNAOAVPUCGL-INIZCTEOSA-N 424.950 3.161 0 40 HGAB CN(CCc1ccccn1)C(=O)[C@@H]1C[C@H]2CC[C@H]1C[C@@]21NC(=O)c2ccccc2N1 257256015 KJTICVVPLUWICF-AQWIKTBWSA-N 404.514 3.071 0 40 HGAB CC[C@H](NC(=O)[C@H](C)N(c1ccccc1)S(C)(=O)=O)c1ccc(OC)c(C)c1 260767778 PDNVFUXCTSCRHC-LPHOPBHVSA-N 404.532 3.426 0 40 HGAB COc1ccc(Br)c(C(=O)N2CC[C@H](Oc3nc(C)cc(C)n3)C2)c1 390828825 URWDZPWUHUFYCV-AWEZNQCLSA-N 406.280 3.158 0 40 HGAB COc1ccc(/C=C2\SC(=O)N(CC(=O)N3CCCC[C@H]3C)C2=O)c(OC)c1 409215440 YTYDPPUBUNZJLY-OMJMQIJPSA-N 404.488 3.141 0 40 HGAB CCCNC(=O)N1C[C@@H]2Oc3cc(-c4ccc(F)cc4F)ccc3C(=O)N(C)[C@@H]2C1 514289415 KKCBIAGXOQQJRE-QUCCMNQESA-N 415.440 3.269 0 40 HGAB biogenic,in-vitro NC(=O)[C@H](CNC(=O)[C@H]1CCCCN1Cc1ccccc1)Cc1ccccc1Cl 531292839 XMGCAHBYDLJFRU-PZJWPPBQSA-N 413.949 3.155 0 40 HGAB COc1ccc(N2C[C@H](C(=O)NCc3nc4ccccc4n3C(C)C)CC2=O)cc1 605394870 KOEXPJKLCFPXBZ-MRXNPFEDSA-N 406.486 3.295 0 40 HGAB COc1ccc(C(=O)N2CCC(F)CC2)cc1S(=O)(=O)N(C)Cc1ccccc1 1596475717 WVYIRUJPKWLARV-UHFFFAOYSA-N 420.506 3.090 0 40 HGAB Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)N1CCc3cc(Cl)nnc3C1)O2 1630988863 JJJYYXHWHMNQHL-OAQYLSRUSA-N 401.894 3.429 0 40 HGAB Cc1nc2ccccc2c(=O)n1CC1CCN(C(=O)c2ccc3nccnc3c2)CC1 1848627243 JQGBCSVYRZBFKP-UHFFFAOYSA-N 413.481 3.201 0 40 HGAB Cn1ccc(C(=O)N2CCC(COc3ccccc3)(CC(=O)N3CCCCC3)CC2)n1 2037905428 DKRSWWJKWDMZRM-UHFFFAOYSA-N 424.545 3.124 0 40 HGAB COc1ccc(CNC2=NC(=O)C[C@@H](C(=O)Nc3ccc(Cl)cc3)S2)cc1 987298 ICAOBWDPBSBNNJ-INIZCTEOSA-N 403.891 3.465 0 40 HGAB COc1ccc(C2=NN(C(C)=O)[C@H](c3cc(OC)c(OC)cc3N)S2)cc1OC 1590277 LKANFDTWNYGZEB-FQEVSTJZSA-N 417.487 3.259 0 40 HGAB CC(C)(C)[C@H]1CCc2c(sc3nnn(CC(=O)NC4CCCCC4)c(=O)c23)C1 1784914 NYSRLUSOGPKFSE-ZDUSSCGKSA-N 402.564 3.453 0 40 HGAB CC[C@@H]1S[C@@H](CC)C(=O)N(CC(=O)Nc2ccc(OC(F)(F)F)cc2)C1=O 2711034 HYARPNQIFSDTCC-STQMWFEESA-N 404.410 3.183 0 40 HGAB Cc1cc(OC(F)F)ccc1NC(=O)CSc1nnc(Cn2nccc2C)o1 2809418 ZAIBSVRACHPWGW-UHFFFAOYSA-N 409.418 3.263 0 40 HGAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2cc3cc(Cl)ccc3oc2=O)c1 2951592 RPBYZYXONZKHKT-UHFFFAOYSA-N 415.785 3.272 0 40 HGAB Cc1ccc(C(=O)OCC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)s1 3384763 DSLXZKGIJUJURB-UHFFFAOYSA-N 422.528 3.027 0 40 HGAB COC(=O)c1ccc(-c2ccc([C@H](c3c(O)n[nH]c3C)c3c(C)n[nH]c3O)o2)cc1 4540780 PBHGPBFYTOSLSJ-UHFFFAOYSA-N 408.414 3.388 0 40 HGAB Cc1cccc(-c2nc(CCNS(=O)(=O)c3ccc4c(c3)OCCO4)cs2)c1 4570714 DRODWNXTIIEJNN-UHFFFAOYSA-N 416.524 3.411 0 40 HGAB Cc1ccc(C(=O)Nc2ccc(C(=O)Nc3cccc(S(N)(=O)=O)c3)cc2)s1 4965799 LEHFIWACOHBNBY-UHFFFAOYSA-N 415.496 3.209 0 40 HGAB COc1ccc(C2=NN(C(=O)CCC(=O)O)[C@@H](c3cc(OC)ccc3OC)C2)cc1 5024964 RVZVQVFTMWXATN-LJQANCHMSA-N 412.442 3.255 0 40 HGAB COc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCCN3C(=O)C2CC2)cc1C 5099547 RFUOYPQZXYLBMG-UHFFFAOYSA-N 400.500 3.494 0 40 HGAB C[C@H](NC(=O)COc1cccc(Br)c1)c1ccc(-n2cncn2)cc1 5245818 AQCLLOWYXKALAY-ZDUSSCGKSA-N 401.264 3.286 0 40 HGAB O=C(c1cccs1)N(Cc1cccc(Br)c1)[C@H]1CCS(=O)(=O)C1 5529193 CQBOPLZFIGBUPB-AWEZNQCLSA-N 414.346 3.340 0 40 HGAB Cc1ccc(C)c(Cn2nnc3c(O)nc(C4CCN(C(=O)C(C)(C)C)CC4)nc32)c1 5737844 VTEHTIMHKZHHAM-UHFFFAOYSA-N 422.533 3.344 0 40 HGAB COc1ccc(CCNC(=O)COc2cc(C)cc3oc(=O)cc(C)c23)cc1OC 6660099 HXBKLGNPXWFOSE-UHFFFAOYSA-N 411.454 3.165 0 40 HGAB Cc1c(C)c2ccc(OCC(=O)N3CCN(c4ccc(F)cc4)CC3)cc2oc1=O 6660281 XHEYARHCEBCUSG-UHFFFAOYSA-N 410.445 3.277 0 40 HGAB COc1ccc(N(C)S(=O)(=O)c2csc(C(=O)Nc3cc(C)on3)c2)cc1 6681329 CPOUSQKEYXVZET-UHFFFAOYSA-N 407.473 3.131 0 40 HGAB Cc1ccc(CN(CC(=O)NC2CC2)S(=O)(=O)c2c(C)cc(C)cc2C)cc1 6840936 XQCIYCPKYQXVRF-UHFFFAOYSA-N 400.544 3.390 0 40 HGAB Cc1cc(=O)c(C(=O)NCc2ccc(CN3CCCC3)cc2)nn1-c1ccccc1F 7437365 MEXPXDSZYKCSBR-UHFFFAOYSA-N 420.488 3.206 0 40 HGAB CC1CCN(CC(=O)Nc2cccc(S(=O)(=O)N(C)c3ccccc3)c2)CC1 7447131 CIYQJQNEIUKRSX-UHFFFAOYSA-N 401.532 3.182 0 40 HGAB Cc1cc(S(=O)(=O)N(C)C)cc(NS(=O)(=O)c2cccc(Cl)c2)c1C 7728288 MKRSNDFYHJHDGS-UHFFFAOYSA-N 402.925 3.008 0 40 HGAB Cc1cc(NC(=O)COC(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)no1 7939747 INWMZFLGSNEODI-UHFFFAOYSA-N 400.218 3.190 0 40 HGAB O=C(CN1CCC[C@@H]2CCCC[C@@H]21)Nc1cccc(S(=O)(=O)N2CCCC2)c1 8156372 ZQZFAMGYCSJFQO-PXNSSMCTSA-N 405.564 3.064 0 40 HGAB Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(=O)NCc3ccco3)CC2)c1C 8193534 ARSBYMYRECDDDA-UHFFFAOYSA-N 404.532 3.230 0 40 HGAB COc1ccc(CN(C)S(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1OC 8485308 DHOQTGPDPUMMGR-UHFFFAOYSA-N 405.394 3.423 0 40 HGAB CC[C@H](C)N1C(=O)[C@]2(Cc3c(Cl)cccc3N3CCCC[C@@H]32)C(=O)NC1=S 8738506 STQPTDBQPUDKPZ-KRYHZZBUSA-N 405.951 3.283 0 40 HGAB O=C(C(=O)N1CCOCC1)c1cn(CCOc2ccc(Cl)cc2)c2ccccc12 9096354 DLTDMZSAHHNPQY-UHFFFAOYSA-N 412.873 3.415 0 40 HGAB O=C(Cc1ccc(F)cc1)N(c1ccc(Br)cc1)[C@@H]1C=CS(=O)(=O)C1 9416217 XFCINWZBUBBXLX-QGZVFWFLSA-N 424.291 3.475 0 40 HGAB Cc1cc(C(=O)NCCCN2CCCC2)ccc1NS(=O)(=O)c1ccccc1 10112495 QFCHVUGRCWHVIB-UHFFFAOYSA-N 401.532 3.012 0 40 HGAB Cc1ccc(-c2ccc(N3CCN(C(=O)c4ccc5c(c4)OCO5)CC3)nn2)cc1C 11695291 HCDMSAIMPQMLTH-UHFFFAOYSA-N 416.481 3.452 0 40 HGAB CC(=O)Nc1ccc(C(=O)NCCNC(=O)c2sc(-c3ccccc3)nc2C)cc1 11739612 AXDKIWYBGGITEG-UHFFFAOYSA-N 422.510 3.237 0 40 HGAB CC[C@H](C)NC(=O)CN1CCC[C@@H](c2c(-c3cc(C)no3)cnc3cc(C)nn23)C1 12121230 RIAIWMRSZSTERK-WMLDXEAASA-N 410.522 3.095 0 40 HGAB Cc1ccccc1OCCC(=O)N1CCC(c2noc(-c3ccc(O)nc3)n2)CC1 12232117 SDEWDAXKGAQDKS-UHFFFAOYSA-N 408.458 3.321 0 40 HGAB CCOc1cc(CCC(=O)N[C@@H]2CC(C)(C)Cc3nc(-c4cnccn4)ncc32)on1 12275628 GDUXWYOHJJWMLN-MRXNPFEDSA-N 422.489 3.083 0 40 HGAB COc1ccccc1/C=C(/C(=O)OCC(=O)N1C[C@H](C)O[C@H](C)C1)c1ccccc1 12603452 YRMVOLBATSZWRK-LEWITINRSA-N 409.482 3.415 0 40 HGAB O=C(C1CC1)N1CCN(CC(=O)N2c3ccccc3SC[C@H]2c2ccccc2)CC1 12774952 LQISNRLWWLBBOB-NRFANRHFSA-N 421.566 3.421 0 40 HGAB COc1cccc(NC(=O)CSc2nnc([C@H]3COc4ccccc4O3)n2C)c1 12790033 QDMFEVAWQIQQQC-QGZVFWFLSA-N 412.471 3.067 0 40 HGAB O=C(CSc1nnc(-c2cccc(F)c2)o1)Nc1ccc(N2CCOCC2)cc1 12844149 VDUDFMHVNJBIEE-UHFFFAOYSA-N 414.462 3.443 0 40 HGAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)CCOc1cccc(Cl)c1 12857383 VPIJQKMNDCXPOJ-HNNXBMFYSA-N 401.894 3.415 0 40 HGAB COc1ccc2c(C)c(CC(=O)N3CCc4cc(OC)c(OC)cc4C3)c(=O)oc2c1 12902754 UEHHATIMFWFRML-UHFFFAOYSA-N 423.465 3.255 0 40 HGAB biogenic CCOc1ccc(CN(CC)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1OC 12987939 OHERSFIMAUUDJG-UHFFFAOYSA-N 407.488 3.076 0 40 HGAB CN(C(=O)CN1C(=O)N[C@](Cc2ccccc2)(c2ccccc2)C1=O)c1ccccc1 13063304 DTDUAQJKSCOOCI-RUZDIDTESA-N 413.477 3.339 0 40 HGAB O=S(=O)(c1ccc(-c2nnc(S)n2-c2ccc(F)cc2)cc1)N1CCCC1 13534625 LBXGDOHRULBRCW-UHFFFAOYSA-N 404.492 3.147 0 40 HGAB COc1ccc(F)cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(C)cc2)C1 13580599 IATLQOBIDGTSCQ-HNNXBMFYSA-N 406.479 3.182 0 40 HGAB COc1ccc(NC(=O)CNC(=O)c2cc3c(OC)ccc(OC)c3[nH]2)cc1Cl 13690163 WLWRQPGQESTALV-UHFFFAOYSA-N 417.849 3.216 0 40 HGAB Nn1c(COc2ccccc2)nnc1SCC(=O)Nc1ccc(C(F)(F)F)cc1 13956764 ZOUMJGKYVUYKAD-UHFFFAOYSA-N 423.420 3.321 0 40 HGAB CCOC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)c1C 14014914 KQZKIZPLBZAPCQ-UHFFFAOYSA-N 400.403 3.057 0 40 HGAB C[C@@H]1Cc2ccccc2N1C(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 16022682 HAPWUIQMFFKELK-OAHLLOKOSA-N 402.491 3.204 0 40 HGAB COc1ccc(C2(CN3CCC(NC(=O)c4nn(C)cc4Cl)CC3)CC2)cc1 19290013 CAKWHACRPIVQCN-UHFFFAOYSA-N 402.926 3.008 0 40 HGAB O=C(Nc1ccccc1CN1CCCCCC1)[C@@H]1CC(=O)N(Cc2ccncc2)C1 19349108 CGULCLHTZHHVBE-OAQYLSRUSA-N 406.530 3.445 0 40 HGAB O=C(c1ccccn1)N1CCC[C@@H]1c1nc(O)c2c(n1)CN(CC1CCCCC1)CC2 19400041 UQOZCSYKHDNDFO-OAQYLSRUSA-N 421.545 3.493 0 40 HGAB CO[C@H]1CCC[C@H](NC(=O)Cn2cc(C(=O)c3ccc(F)cc3)c3ccncc32)C1 19592678 WJCUCAPMUANWMK-ROUUACIJSA-N 409.461 3.480 0 40 HGAB CN(C)c1ncc(-c2cncnc2)c(C2CCN(C(=O)c3ccc(F)cc3)CC2)n1 19687613 HGQDRZDCZYXDCX-UHFFFAOYSA-N 406.465 3.159 0 40 HGAB COc1cccc(C(=O)N2CC[C@H](C(=O)Nc3ccccc3CN3CCCC3)C2)c1 19750454 WRCGGXJATNULFW-FQEVSTJZSA-N 407.514 3.392 0 40 HGAB CNC(=O)c1cc([C@@H]2CN(C(=O)CCc3ccc(F)cc3)CCO2)nc2ccccc12 19754416 UXVHILUZBWUPNO-QFIPXVFZSA-N 421.472 3.266 0 40 HGAB CC[C@H](C)NS(=O)(=O)c1ccc(OCC(=O)N[C@H](C)c2ccccc2OC)cc1 20019573 JUOSFPXBRDNNHQ-JKSUJKDBSA-N 420.531 3.028 0 40 HGAB O=S(=O)(c1ccc2c(c1)CCCC2)N1CCN(Cc2nc3ccccc3o2)CC1 20686324 LTTMOJDPXWIDPK-UHFFFAOYSA-N 411.527 3.213 0 40 HGAB CCOc1ccc(S(=O)(=O)NCCC(=O)Nc2ccc(C(F)(F)F)cc2)cc1 21279222 QDVJHINTDODCEK-UHFFFAOYSA-N 416.421 3.411 0 40 HGAB Cc1ccc([C@H](CN2CCOCC2)NS(=O)(=O)c2ccc(Cl)cc2F)cc1 22836009 LASCQTOKJRFWIK-SFHVURJKSA-N 412.914 3.139 0 40 HGAB CCOc1ccc(C(=O)N[C@@H](C(=O)NC[C@@H](c2cccs2)N(C)C)C(C)C)cc1 23238402 AIOGJFNBFFFSMM-AZUAARDMSA-N 417.575 3.320 0 40 HGAB CC(=O)c1c(C)[nH]c(C(=O)CN2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1C 23824767 FKEGZBAFIWKKBU-UHFFFAOYSA-N 408.424 3.253 0 40 HGAB CCOC(=O)Cn1c(=O)n2nc(-c3ccco3)nc2c2c(CC(C)C)csc21 32103675 VWLSFQVREOJGON-UHFFFAOYSA-N 400.460 3.127 0 40 HGAB COc1cccc(C(=O)NC2CCN(C(=O)CCn3ccc4ccccc43)CC2)c1 40091145 IFHDCSHEUTTZCQ-UHFFFAOYSA-N 405.498 3.461 0 40 HGAB COc1cccc(N(CC(=O)NCc2ccc(Cl)cc2Cl)S(C)(=O)=O)c1 44791355 JVAPFGOQFBQFIQ-UHFFFAOYSA-N 417.314 3.084 0 40 HGAB CCN(Cc1ccc2c(c1)OCO2)C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 45255875 NCBGZYLROZSYIO-AWEZNQCLSA-N 404.488 3.112 0 40 HGAB CN(c1ccccc1)c1ccccc1NC(=O)N1CCC[C@H](NS(C)(=O)=O)C1 47563161 NCAVQHXZOKFLSO-INIZCTEOSA-N 402.520 3.000 0 40 HGAB Cc1ccc(NC(=O)Cn2nc3cc(C)nc(Nc4ccc(F)c(C)c4)n3c2=O)cc1 49410707 LNBBCOCRJLXCNG-UHFFFAOYSA-N 420.448 3.338 0 40 HGAB COC(=O)Cc1c(C)c2cc3c(c(C)c2oc1=O)OCN(Cc1cccc(OC)c1)C3 54278243 OMPFEJXXXADPRA-UHFFFAOYSA-N 423.465 3.486 0 40 HGAB biogenic COc1ccc(CN2C(=O)N[C@@](C)(c3ccco3)C2=O)c(Br)c1OC 54915823 SUAADWXYVVCWSD-KRWDZBQOSA-N 409.236 3.027 0 40 HGAB CCCN1CCc2nc(SCC(=O)NCCc3ccc(Cl)cc3)nc(O)c2C1 67291827 NUIDLSPUZFNDFJ-UHFFFAOYSA-N 420.966 3.055 0 40 HGAB O=C(Cn1cc(OCc2ccccc2)c(=O)cc1CO)Nc1ccc2[nH]ccc2c1 71281657 ANDXKBNSISKCER-UHFFFAOYSA-N 403.438 3.040 0 40 HGAB CCn1ncc(Cl)c1C(=O)N[C@H]1C[C@]2(CCC(=O)N(C)CC2)Oc2ccccc21 72327822 GVUCXNMEXFJTBP-HRAATJIYSA-N 416.909 3.191 0 40 HGAB C[C@H](NC(=O)c1ccc2c(=O)n(Cc3cccs3)c(=O)[nH]c2c1)c1ccc(F)cc1 72328358 NEHKMIUDEYQVTN-ZDUSSCGKSA-N 423.469 3.430 0 40 HGAB CC(C)c1nccn1CCC(=O)Nc1ccccc1[C@@H]1NC(=O)c2cccnc2N1C 72347378 KNQSJYLUZRHHFP-JOCHJYFZSA-N 418.501 3.309 0 40 HGAB O=C1CN(c2ccc(NC(=O)[C@H]3C[C@H]3c3cccc(Cl)c3Cl)cn2)CCN1 78876057 SOJTYIKDTJQJEQ-KBPBESRZSA-N 405.285 3.067 0 40 HGAB CC[S@@](=O)[C@@H]1CCC[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)c2ccccc2C)C1 79022284 YJTMPSIHMPPBFN-RZABTDFFSA-N 406.592 3.336 0 40 HGAB O=C([C@H](c1ccccc1)N1CCN(Cc2ccc(Cl)s2)CC1)N1CCOCC1 84519426 LHNWALIJCXBDDU-FQEVSTJZSA-N 419.978 3.119 0 40 HGAB O=C(C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)N1CCCC[C@@H]1CO 89764515 VSDFLMVPWKSVDE-CQSZACIVSA-N 405.848 3.344 0 40 HGAB C[C@]1(CO)CCCN1S(=O)(=O)c1csc(-c2ccc(Br)cc2)n1 97104240 HUCRDRFSBRWWFN-OAHLLOKOSA-N 417.350 3.108 0 40 HGAB Cc1cc(C)n(C)c(=O)c1C(=O)NC[C@H]1CC[C@H](c2n[nH]cc2-c2ccncc2)CC1 100744817 BRLMRUURZLSEEA-IZAXUBKRSA-N 419.529 3.491 0 40 HGAB Cc1ccc(N2C(=O)[C@H]3N=NN(Cc4nc(-c5ccccc5C)no4)[C@H]3C2=O)cc1C 101277569 ZCPKYOBRLXLVOM-RBUKOAKNSA-N 416.441 3.155 0 40 HGAB COc1ccc(C2=NO[C@H]3C(=O)N(c4ccc5ccccc5c4)C(=O)[C@H]23)cc1OC 102886363 FKCWRXQHFQSHKJ-TZIWHRDSSA-N 402.406 3.150 0 40 HGAB COc1ccc(CCNS(=O)(=O)c2ccc(NC3CCCC3)c(C(=O)O)c2)cc1 217618710 LWRSSXMOHYOCAR-UHFFFAOYSA-N 418.515 3.269 0 40 HGAB CCOC(=O)[C@@]1(N)[C@H](c2ccc(CC)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218566502 GSQPJTPCJRDGDB-WSTZPKSXSA-N 407.919 3.103 0 40 HGAB CC[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc(C)cc1C 219991896 QAVUMWCNLGMKHQ-OAQYLSRUSA-N 416.543 3.205 0 40 HGAB COc1cccc(N(CCCC(=O)NCCSc2ccccc2)S(C)(=O)=O)c1 222588884 MUKABYBEHRSVRA-UHFFFAOYSA-N 422.572 3.150 0 40 HGAB CC(C)Sc1nnc(NC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)s1 222700351 CALCEMXYTBFZKL-UHFFFAOYSA-N 420.969 3.097 0 40 HGAB CNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CSCc1ccccc1F 222821476 BVPGJZYTPWESHP-HNNXBMFYSA-N 404.507 3.231 0 40 HGAB CCc1ccc(OCCNC(=O)CCCN(c2cccc(F)c2)S(C)(=O)=O)cc1 224800203 IHPQDAPXBWERPD-UHFFFAOYSA-N 422.522 3.130 0 40 HGAB CC[C@@H](C(=O)Nc1nnc(SC)s1)N(c1ccc(Cl)cc1)S(C)(=O)=O 224900032 SIDYMTJUTHVZMB-NSHDSACASA-N 420.969 3.097 0 40 HGAB CCOC(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1cccs1 225123423 QXWYODMUFQJTHN-UHFFFAOYSA-N 404.307 3.269 0 40 HGAB CC(=O)CC(=O)N[C@H]1CC[C@@H](C[C@H]2CC[C@@H](NC(=O)CC(C)=O)[C@@H](C)C2)C[C@H]1C 248265500 DLAADOGEGQKDFC-SBZQLOFLSA-N 406.567 3.177 0 40 HGAB Cc1ccc(OC[C@H](O)CN(C)Cc2ccc(OCCn3cccn3)cc2)c(C)c1 257220998 DNDHGTRDTFWNNR-JOCHJYFZSA-N 409.530 3.451 0 40 HGAB Cc1cccc(C(=O)N2CC[C@H]3NC(=O)c4ccccc4OCC/C=C/C[C@H]3C2)n1 257280840 OMPRSVFKJFCCQK-QMUYELLFSA-N 405.498 3.380 0 40 HGAB COc1cccc(N([C@H](C)C(=O)N[C@H](C)c2ccc(C)c(C)c2)S(C)(=O)=O)c1 260587774 ADYXWEYGWXRAOL-IAGOWNOFSA-N 404.532 3.344 0 40 HGAB CN1CCN(C(=O)Cc2ccco2)C[C@@H]1c1nnn2cc(-c3cccc(F)c3)ccc12 306140934 VHCLJFSGOXSAJN-OAQYLSRUSA-N 419.460 3.186 0 40 HGAB Cc1ccc(N2C[C@H](C(=O)NCc3ccnc(-c4ccncc4)c3)CC2=O)cc1C 390827192 UVPCZQCQEATYQN-HXUWFJFHSA-N 400.482 3.430 0 40 HGAB CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1C 408620456 JTAVQFFWAFCKAB-UHFFFAOYSA-N 407.923 3.118 0 40 HGAB O=S(=O)(NC[C@@H](O)c1ccc(-c2cccs2)s1)c1ccc2c(c1)OCCO2 585148321 YXFXAROREPZGBF-CYBMUJFWSA-N 423.537 3.260 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC[C@@H](c3nnc4n3CCCCC4)C2)cc1Cl 642332499 HWKJROLDQNNELC-CQSZACIVSA-N 424.954 3.235 0 40 HGAB Cc1nc(C(=O)N[C@@H]2CCCN(c3c(C)cc(Br)cc3C)C2=O)co1 672303254 PSBBOXXQQJGFBK-CQSZACIVSA-N 406.280 3.288 0 40 HGAB O=C(c1ccc(Br)cc1)N1CCC(n2nc(C3CC3)ccc2=O)CC1 1775965979 OEHNBGNXBLBXRA-UHFFFAOYSA-N 402.292 3.361 0 40 HGAB COc1ccc([C@H]2Sc3ccccc3N(CCN(C)C)C(=O)[C@@H]2OC(C)=O)cc1 621890 HSUGRBWQSSZJOP-NHCUHLMSSA-N 414.527 3.369 0 40 HGAB biogenic,in-man O=C(NCc1ccccc1)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1cccs1 645764 JNWFOWYFQVZPLV-IBGZPJMESA-N 412.536 3.180 0 40 HGAB COc1cc(-c2nnc(SCC(=O)N3CCC(C)CC3)o2)cc(OC)c1OC 781930 QNJXYAOAQZGUBY-UHFFFAOYSA-N 407.492 3.113 0 40 HGAB O=c1cccc2n1C[C@@H]1C[C@@H]2CN(C[C@H](O)COc2ccc(Cl)cc2Cl)C1 2096474 RJIRXXZCCHBEJI-FMKPAKJESA-N 409.313 3.014 0 40 HGAB biogenic CCCCCn1c(N2CCC(Cc3ccccc3)CC2)nc2c1c(=O)[nH]c(=O)n2C 2594526 ZFFFKQAKRBWBMF-UHFFFAOYSA-N 409.534 3.073 0 40 HGAB CC[C@@H](OC(=O)[C@@H](CC(C)C)NC(=O)c1ccccc1)C(=O)Nc1cc(C)on1 2759119 IQICGZBMGBHXCT-IAGOWNOFSA-N 401.463 3.088 0 40 HGAB O=c1cccc2n1C[C@H]1C[C@@H]2CN(C(=S)Nc2ccc(Br)cc2)C1 4135126 FQOFHQPANZZZDH-QWHCGFSZSA-N 404.333 3.427 0 40 HGAB CC(C)Oc1ccc(C(=O)Nc2c3c(nn2-c2ccccc2)CS(=O)(=O)C3)cc1 4224352 IQNIULGDPIKWCG-UHFFFAOYSA-N 411.483 3.340 0 40 HGAB O=C(c1ccncc1)N(Cc1ccco1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 4231153 KBBOIFKGUJMDKK-UHFFFAOYSA-N 403.394 3.087 0 40 HGAB CC[C@@H](C)N(C(=O)CSc1nc2ccc(Cl)cc2[nH]1)[C@@H]1CCS(=O)(=O)C1 4484990 ODKAQTBFUPEBJJ-DGCLKSJQSA-N 415.968 3.123 0 40 HGAB COc1ccc(N(CC(=O)NC2CCCC2)S(=O)(=O)c2ccc(F)cc2)cc1 4554438 DRXRIXRWQLVGQP-UHFFFAOYSA-N 406.479 3.088 0 40 HGAB C[C@H](Sc1nnc(Cc2ccccc2)n1C)C(=O)NC(=O)NC1CCCCC1 4800404 LOYOCOXSHNWNKJ-AWEZNQCLSA-N 401.536 3.045 0 40 HGAB Cc1ccc(CNC(=O)CSc2nccn(-c3ccc(F)c(F)c3)c2=O)cc1 4853339 OMRZACAKBLPMEW-UHFFFAOYSA-N 401.438 3.228 0 40 HGAB CNC(=O)NC(=O)[C@H](C)Sc1nc2cc(Cl)ccc2c(=O)n1C1CCCCC1 4985703 DMOKODKWSPSDOT-NSHDSACASA-N 422.938 3.491 0 40 HGAB CS(=O)(=O)c1cccc(-c2nnc(NC(=O)c3cccc(C(F)(F)F)c3)o2)c1 5240527 DZMUBYOJJIRUKS-UHFFFAOYSA-N 411.361 3.411 0 40 HGAB CC(=O)c1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)cc1 5298912 NHCNBTWLFHLAHW-AWEZNQCLSA-N 412.920 3.396 0 40 HGAB O=C(Nc1ccccc1C(=O)O)c1cc(S(=O)(=O)N2CCCCCC2)cs1 6680739 LDCPNRZSZBWIAR-UHFFFAOYSA-N 408.501 3.263 0 40 HGAB CC(=O)c1ccc(NS(=O)(=O)c2csc(C(=O)Nc3cc(C)on3)c2)cc1 6681812 UVILJEGLLGRZAE-UHFFFAOYSA-N 405.457 3.300 0 40 HGAB COc1ccc(OC)c(CCNC(=O)COCc2cc(-c3ccc(F)cc3)on2)c1 6876480 QVNDHXRXVDRTQK-UHFFFAOYSA-N 414.433 3.373 0 40 HGAB Cc1nn(Cc2nc3ccccc3o2)c(C)c1S(=O)(=O)N(C)Cc1ccco1 7065680 FWGQWTCPCDSFBP-UHFFFAOYSA-N 400.460 3.103 0 40 HGAB C[C@@]12CCC(=O)N1[C@@H](C(=O)Nc1ccc(-c3nnc4n3CCCCC4)cc1)CS2 7407305 AYYBJNCJLCPIDA-IIBYNOLFSA-N 411.531 3.064 0 40 HGAB CCOc1ccc(NC(=O)CN(C)CC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)cc1OCC 7704462 ZYMHZYHPCASTHA-JENIJYKNSA-N 419.566 3.295 0 40 HGAB COc1ccc(OC)c([C@H]2CCCN2CC(=O)Nc2ccccc2C(=O)NC2CC2)c1 7718616 OJMWLDQIRMHVGR-OAQYLSRUSA-N 423.513 3.372 0 40 HGAB CCOC(=O)c1c(NC(=O)CN[C@@H](c2ccccc2)C(C)C)sc(C(N)=O)c1C 8002905 UFCWNDXZZQPGDW-QGZVFWFLSA-N 417.531 3.258 0 40 HGAB Cc1cc(C(=O)CSc2nnnn2Cc2cccs2)c(C)n1C[C@@H]1CCCO1 8341567 YYBXALSDELTNET-HNNXBMFYSA-N 417.560 3.355 0 40 HGAB C[C@@H](OC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)C(=O)Nc1ccc(F)cc1Cl 8760387 HCHQPDLVYBXROM-UKRRQHHQSA-N 418.852 3.398 0 40 HGAB CCOc1ccc(-c2cc3c(=O)n(CC(=O)Nc4cccc(F)c4)ccn3n2)cc1 9321172 SNEOHWRCWFQFHQ-UHFFFAOYSA-N 406.417 3.340 0 40 HGAB O=C1N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1Cc1nc(-c2ccc(F)cc2)no1 9584307 XHZPCERBIAPMAO-KRWDZBQOSA-N 405.389 3.020 0 40 HGAB Cc1ccc(NC(=O)Cn2c(=O)n(Cc3ccco3)c(=O)c3ccccc32)c(Cl)c1 9616477 KXBQPUOINIUCQL-UHFFFAOYSA-N 423.856 3.405 0 40 HGAB O=C(NCc1ccc(COCC(F)(F)F)cc1)N1CCN(c2nccs2)CC1 9757031 JIAQLLZOMVIAPA-UHFFFAOYSA-N 414.453 3.254 0 40 HGAB CCOC(=O)c1ccc(NC(=O)c2c[nH]c3c(c(C)nn3-c3ccccc3)c2=O)cc1 10166772 IHVKQCMLAMYPGG-UHFFFAOYSA-N 416.437 3.451 0 40 HGAB CC(C)N1C(=O)c2ccccc2N2C(=O)CC[C@]21C(=O)OC[C@@H]1CC1(Cl)Cl 11447627 QZYMQOWVMNHHTO-HXPMCKFVSA-N 411.285 3.111 0 40 HGAB CC[C@H]1Oc2ccc([C@H](O)c3ccco3)cc2N(CC(=O)NC2CCCCC2)C1=O 12233547 PZCFQHLLRNMFAM-GCJKJVERSA-N 412.486 3.314 0 40 HGAB CC(=O)N1CCCc2cc([C@H](O)CN3CCC(O)(c4ccc(F)cc4)CC3)ccc21 12291203 FHVGMZKYAJZXLQ-HSZRJFAPSA-N 412.505 3.142 0 40 HGAB O=C(CCS(=O)(=O)c1ccc2c(c1)OCCO2)Nc1ccc(C(F)(F)F)cc1 12806195 DQUVYZFYHIYWCC-UHFFFAOYSA-N 415.389 3.279 0 40 HGAB Cc1cc(C)c(NC(=O)CN(C)C(=O)CCn2cnc3c(C)cccc3c2=O)c(C)c1 13017920 FFNJFMNUSVFMFM-UHFFFAOYSA-N 420.513 3.117 0 40 HGAB COc1ccc(CC(=O)N2CCC(c3nnc(O)cc3-c3cc(C)no3)CC2)cc1 13226304 UGDJXGHSSCZKQP-UHFFFAOYSA-N 408.458 3.103 0 40 HGAB Cc1ccc(Cn2c(=O)n(CC(=O)Nc3ccc(F)cc3)c(=O)c3sccc32)cc1 13592501 DTGAFBHZROQFOA-UHFFFAOYSA-N 423.469 3.359 0 40 HGAB O=C(CCCn1nc(-c2cccs2)ccc1=O)N1CCN(c2ccccc2)CC1 13698533 NPECCSFIFYNEFR-UHFFFAOYSA-N 408.527 3.101 0 40 HGAB CC[C@@H](C(=O)NCc1ccc(OC)cc1)N(c1ccc(C)c(C)c1)S(C)(=O)=O 13716298 JUPJJPQIAZBVJS-FQEVSTJZSA-N 404.532 3.173 0 40 HGAB COc1ccc(N2C[C@H](c3nnc(NC(=O)Cc4cccs4)s3)CC2=O)cc1 13944355 WLNFEPGUBYBPLJ-GFCCVEGCSA-N 414.512 3.310 0 40 HGAB CC1=C(C(=O)N2CCOCC2)[C@@H](c2ccccc2C(F)(F)F)NC(=O)N1C1CC1 14170937 XVZVNMWRLBERJS-QGZVFWFLSA-N 409.408 3.067 0 40 HGAB COc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2C)cc1OC 15589124 KMYYJGQJUSRJKG-UHFFFAOYSA-N 404.488 3.049 0 40 HGAB COc1ccc(-n2nnc(C(C)=O)c2NC[C@H](c2ccccc2OC)N(C)C)cc1 19023100 XDTSPDRWWWRMOX-LJQANCHMSA-N 409.490 3.202 0 40 HGAB CN1CCN(c2ncc(-c3ccncc3)c([C@@H]3CCCN(C(=O)C(C)(C)C)C3)n2)CC1 19081187 HBYHMFNATPKXHY-LJQANCHMSA-N 422.577 3.043 0 40 HGAB Cc1cnc(-c2nc3c(c(=O)[nH]2)CN(Cc2ccc(Cl)c(Cl)c2)CC3)cn1 19239069 NIKXWKYPEGLFRU-UHFFFAOYSA-N 402.285 3.400 0 40 HGAB Cc1cnc(-c2nnc(C3CCN(C(=O)COc4ccccc4Cl)CC3)o2)cn1 19239221 PNBGIDXJDBSCRI-UHFFFAOYSA-N 413.865 3.273 0 40 HGAB COc1c(C(C)C)cc(NC(=O)Cc2nc3[nH]c(C)c(C)c(=O)n3n2)cc1C(C)C 19576980 LVXXDMBTVWQQHF-UHFFFAOYSA-N 411.506 3.471 0 40 HGAB COc1ccc2cnc(C3CCN(CC(=O)[C@@H](C)N4CCOCC4)CC3)cc2c1C 19582707 XKARHYVJAFOIKI-GOSISDBHSA-N 411.546 3.021 0 40 HGAB CNC(=O)[C@@]1(Cc2ccc(-c3ccccc3OC)cc2)CCN(C(=O)[C@@H]2CCCO2)C1 19591402 KHZXJOXKBSPEFF-WIOPSUGQSA-N 422.525 3.048 0 40 HGAB Cc1nc2ccccn2c1CC(=O)N1CCC[C@@H](c2ccc(-c3cnn(C)c3)cn2)C1 19689247 HALUNKSCCPNIJE-LJQANCHMSA-N 414.513 3.387 0 40 HGAB NC(=O)c1sc2ncccc2c1[C@H]1CN(C(=O)c2nccc3ccccc23)CCO1 19702798 XIFLRQNDDFXBNV-MRXNPFEDSA-N 418.478 3.157 0 40 HGAB COc1ccc(-c2ccnc3cc(C(=O)N[C@H](C)Cc4c(C)nn(C)c4C)nn23)cc1 19716656 XGJRNLCTMHTGBF-CQSZACIVSA-N 418.501 3.116 0 40 HGAB COc1cccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1 20043602 BCEJLVWIIBKEJI-INIZCTEOSA-N 418.515 3.276 0 40 HGAB COc1ccc([C@@H]2Nn3c(C)nnc3S[C@H]2C(=O)N2CCCCC2)cc1Cl 20068917 WTTPYBWMNHBMQL-JKSUJKDBSA-N 407.927 3.020 0 40 HGAB CC1=NN(c2ccccc2)C(=O)[C@]1(C)NS(=O)(=O)c1ccc(F)c2ccccc12 20436324 JQIWWRWRDXOZIK-OAQYLSRUSA-N 411.458 3.439 0 40 HGAB CCOc1ccc(N2C[C@H](C(=O)N(CC)Cc3ccc4c(c3)OCCO4)CC2=O)cc1 21356119 RHJOEZVSJNWMBO-GOSISDBHSA-N 424.497 3.258 0 40 HGAB COc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2cccc(Cl)c2)c1 22229783 JRHXJXMFHNQUCN-KRWDZBQOSA-N 408.907 3.449 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)c1ccc(C)nc1 22414770 JLKROZUPLYBIEQ-UHFFFAOYSA-N 403.504 3.216 0 40 HGAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)cc1Cl 22539382 IMPVZTOWFFBNBF-RYUDHWBXSA-N 414.886 3.032 0 40 HGAB COC(=O)C[C@@H](C)Nc1nc(CN2CCOCC2)nc2sc3c(c12)CC[C@@H](C)C3 24528060 WLDZQYLLLZLCMT-ZIAGYGMSSA-N 418.563 3.012 0 40 HGAB Cc1ccc(S(=O)(=O)NCC(=O)OCc2nc3ccccc3n2C(F)F)cc1C 25434569 JHWURLLLWQBQNN-UHFFFAOYSA-N 423.441 3.070 0 40 HGAB CCc1ccc(C(=O)N2CCN(C(=O)c3ccc(Cn4cccn4)cc3)CC2)cc1 25469088 VZSIGXSNQIJEFE-UHFFFAOYSA-N 402.498 3.092 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)NCc2ccccc2)c(Cl)c1 28208107 VUVLBBRPNOMVFO-UHFFFAOYSA-N 410.923 3.066 0 40 HGAB CSc1ccc([C@@H]2SCC(=O)Nc3c2c(C)nn3-c2ncnc3[nH]cnc23)cc1 31808041 HDAWIIHVFYQJDD-INIZCTEOSA-N 423.527 3.344 0 40 HGAB CCCOc1cc(C)c(Cl)cc1S(=O)(=O)N1CCC(C(=O)OCC)CC1 31903944 ZMMXGUZADJLAFM-UHFFFAOYSA-N 403.928 3.401 0 40 HGAB COc1ccc(CN(C)C(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2C)cc1 32750461 LNVOYNPOMYVSFV-UHFFFAOYSA-N 402.516 3.060 0 40 HGAB CCN(C(=O)CN(Cc1ccccc1)c1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 32836203 WCZKGCIVTSKZIU-OAQYLSRUSA-N 400.544 3.037 0 40 HGAB Cc1ccccc1[C@H](OC[C@@H](O)CN1C(=O)N[C@](C)(C2CC2)C1=O)c1ccccc1 35287191 XSNWZOVAXKKCKE-XZDHIHRUSA-N 408.498 3.182 0 40 HGAB C[C@H](CCc1ccccc1)NC(=O)[C@H]1[C@H]2C=C[C@]3(CN(c4ccccc4)C(=O)[C@H]13)O2 35485169 DOQJCMSPVWOHSQ-BWRNNOJJSA-N 402.494 3.111 0 40 HGAB biogenic Cc1ccc(N2C(=O)[C@@H]3N=NN(Cc4nc(-c5ccc(Cl)cc5)no4)[C@H]3C2=O)cc1 38487657 VZACLBIXFOITGF-IAGOWNOFSA-N 422.832 3.192 0 40 HGAB Cc1cc(NC(=O)c2ccco2)sc1C(=O)NCc1ccc(Cn2cncn2)cc1 40024671 YXQSKLLAGNWLBM-UHFFFAOYSA-N 421.482 3.472 0 40 HGAB O=C(CCC(=O)c1ccc2c(c1)OCCO2)NCc1cccnc1OC1CCCC1 40091106 IMJHTUVUSHXEDU-UHFFFAOYSA-N 410.470 3.454 0 40 HGAB CCCS(=O)(=O)N1CCC[C@@H](C(=O)N[C@@H](C)c2cccc(Br)c2)C1 40092576 CSLNQBBMTSRXED-DZGCQCFKSA-N 417.369 3.078 0 40 HGAB O=C(COCCOc1ccccc1)Nc1cc2c(cc1Br)OCCO2 40129924 MSVONYHPFSLIRJ-UHFFFAOYSA-N 408.248 3.254 0 40 HGAB O=C(N[C@H]1CCS(=O)(=O)C1)c1cc2sccc2n1Cc1ccccc1Cl 40283995 MBGOAEKCSHHPMI-ZDUSSCGKSA-N 408.932 3.321 0 40 HGAB C[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CCS(=O)(=O)C3)c2C(=O)c2ccco2)C1 48361749 KJDYHODTCAGZJY-VXGBXAGGSA-N 407.513 3.070 0 40 HGAB COC(=O)Cc1c(C)c2cc3c(c(C)c2oc1=O)OCN(Cc1ccc(OC)cc1)C3 54278213 HHORYBSQPNNINT-UHFFFAOYSA-N 423.465 3.486 0 40 HGAB biogenic COc1ccc(Cl)cc1NC(=O)Cn1nc2cc(-c3ccccc3)nc(C)n2c1=O 65196631 ZLLGHYKIVDHCTG-UHFFFAOYSA-N 423.860 3.167 0 40 HGAB CCOC(=O)C1=C(CN2CCC(C)CC2)NC(=O)N[C@H]1c1ccc(SC)cc1 67286883 XZYPSCAQJDPRRG-IBGZPJMESA-N 403.548 3.312 0 40 HGAB FC(F)(F)Oc1ccc(-c2c[nH]c([C@@H]3COCCN3Cc3csnn3)n2)cc1 67898724 NRNOLCPDKXTQRP-HNNXBMFYSA-N 411.409 3.400 0 40 HGAB biogenic,in-vitro Cc1csc(NC(=O)Cn2nc(N3CCC(Cc4ccccc4)CC3)ccc2=O)n1 71285763 GNUJGDPSESMJHN-UHFFFAOYSA-N 423.542 3.106 0 40 HGAB O=C(NCCc1nc(-c2ccc(F)cc2)c[nH]1)Nc1nncc(-c2ccccc2)n1 72306101 FTLJDTOPLFGBDI-UHFFFAOYSA-N 403.421 3.432 0 40 HGAB CN(C)[C@H](CNC(=O)c1cc(-c2ccc(F)cc2)nn1C)c1ccc2c(c1)CCO2 90607249 FGQWPKMRLPRDHO-OAQYLSRUSA-N 408.477 3.194 0 40 HGAB O=C(NCCn1nc(-c2cccs2)n(C2CC2)c1=O)c1ccc2ncsc2c1 96096620 OOHZHUNRUOCQPS-UHFFFAOYSA-N 411.512 3.148 0 40 HGAB O=C(Nc1ccccc1)[C@H]1Cn2ccnc2C2(CCN(Cc3ccccc3)CC2)O1 96144611 FFXRJQYGEHBTIC-OAQYLSRUSA-N 402.498 3.412 0 40 HGAB COc1ccccc1CCC1CCN(C(=O)[C@@]2(C)CC(=O)N3C=CC=CC3=N2)CC1 141549146 JAKVFAJXRGIUGK-XMMPIXPASA-N 407.514 3.339 0 40 HGAB COC(=O)[C@H]1C[C@H](Oc2ccccc2F)CN1C(=O)c1cnn(-c2ccccc2)c1C 206802672 QWBUHBLHVBJVEU-FXAWDEMLSA-N 423.444 3.155 0 40 HGAB CS(=O)(=O)N(CC(=O)Nc1cccc(C(F)(F)F)c1)c1ccc(F)cc1F 220079758 XRKGWCLIRVMCBA-UHFFFAOYSA-N 408.348 3.388 0 40 HGAB CCOc1ccc(CNC(=O)c2cccc(N(C)S(C)(=O)=O)c2C)cc1OCC 222436982 BXSIDWHSWLFLBU-UHFFFAOYSA-N 420.531 3.118 0 40 HGAB CCOc1ccccc1CCCNC(=O)c1ccc(C)c(N(C)S(C)(=O)=O)c1 222459800 VWOCWNVRKZCZBV-UHFFFAOYSA-N 404.532 3.152 0 40 HGAB COc1ccc(NC(=O)C[C@H](NS(C)(=O)=O)c2ccc(F)cc2)cc1Cl 225946627 VVLRWESCXHAQDF-HNNXBMFYSA-N 400.859 3.107 0 40 HGAB CC(=O)N1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)c1cccnn1 257291638 QHXXLBSNHPJBCV-ACUMWEPGSA-N 418.541 3.482 0 40 HGAB CN(CC(=O)N1CCC[C@H](c2ncc(Cc3ccccc3)o2)C1)Cc1ccccn1 257307307 SYDBJEFGGODYLU-FQEVSTJZSA-N 404.514 3.498 0 40 HGAB Cn1cc(-c2ccc3c(c2)[C@@H]2CN(Cc4ccccc4Cl)C[C@H]2S3(=O)=O)cn1 306131740 KOMYDWULVMSYKN-GHTZIAJQSA-N 413.930 3.496 0 40 HGAB COc1ccc2c(c1)C(=O)[C@H]([C@]1(O)C(=O)Nc3ccc(Br)cc31)CC2 408570217 ZWXIETYBABAFEM-AUUYWEPGSA-N 402.244 3.043 0 40 HGAB CCOc1ccc(S(=O)(=O)Nc2cc(OC)ccc2OC)cc1NC(=O)CC 408696389 ATHFBJQEKMGPNQ-UHFFFAOYSA-N 408.476 3.252 0 40 HGAB Cc1cc([C@@H]2c3c(n(C)c(=O)n(C)c3=O)N=C3c4ccccc4C(=O)[C@H]32)cc(C)c1C 408733357 HGSHORQPAKOAJY-OALUTQOASA-N 413.477 3.088 0 40 HGAB CC[C@@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)OCC(=O)c1ccc(F)cc1 409004166 WTOQBAHTBQYQKI-QRWLVFNGSA-N 421.490 3.253 0 40 HGAB Cc1ccc(C(=O)N2CCC[C@@H](C(=O)NCc3ccn(-c4ccccc4)n3)C2)cc1 516000144 AWGWGIAJLLKTKT-HXUWFJFHSA-N 402.498 3.349 0 40 HGAB CN1C(=O)CC[C@@H](C(=O)Nc2cccc(C(N)=O)c2)[C@@H]1c1ccc(C(F)(F)F)cc1 522320572 AUVMMJZWRFSUIJ-AEFFLSMTSA-N 419.403 3.353 0 40 HGAB COc1ccc(C(=O)N2CC[C@@H](c3ccccc3Cl)S(=O)(=O)CC2)cc1F 585397580 UWXFDUQZGCHRNF-SFHVURJKSA-N 411.882 3.490 0 40 HGAB O=C1NCCOCCCCC2(CCN(C(=O)CC3CC3)CC2)COc2ccccc21 643571685 PKJVOKBSSJQMNP-UHFFFAOYSA-N 414.546 3.405 0 40 HGAB C[C@@H](CC(=O)N[C@@H]1CCO[C@@H](c2cccs2)C1)S(=O)(=O)c1ccc(F)cc1 1535288179 GQXLJNCZSSUIMA-YSVLISHTSA-N 411.520 3.476 0 40 HGAB C[C@@H](NC(=O)N1CCC2(CC1)C[C@H](O)CNC2=O)c1ccc(Oc2ccccc2)cc1 1563861787 KGVLDAZPDCWCIQ-MJGOQNOKSA-N 423.513 3.213 0 40 HGAB CNC(=O)[C@H](Cc1ccccc1)NC(=O)N[C@@H](C)Cc1ccc(C(F)(F)F)cc1 1677075722 CVUDWJAPUOTFNP-KSSFIOAISA-N 407.436 3.293 0 40 HGAB Cc1cc(C)n(-c2ccc(=O)n(C3CCN(C(=O)c4cc5ccccc5o4)CC3)n2)n1 1775969931 SCOZWGRXXRSMLZ-UHFFFAOYSA-N 417.469 3.269 0 40 HGAB O=C(c1ccc(Br)cc1F)N1CC(Cn2cc(Br)cn2)C1 1889191921 XLNHREORNWVJMW-UHFFFAOYSA-N 417.076 3.319 0 40 HGAB Cc1nc(CN2CC3(CCN(C(=O)c4nc5ccccn5c4C)CC3)CC2=O)cs1 2055796235 WZCVSNQJXYRTMO-UHFFFAOYSA-N 423.542 3.063 0 40 HGAB COc1ccc(C(=O)Nc2ccccc2C(=O)N[C@@H](C(=O)N2CCCC2)C(C)C)cc1 846197 VTWUUEYFEIBAQN-OAQYLSRUSA-N 423.513 3.324 0 40 HGAB O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2)N1CCOCC1 1150229 PJEMWRFCQLTPQB-VQHVLOKHSA-N 417.465 3.183 0 40 HGAB COc1ccc2c(C)c(CCC(=O)N[C@H](C(=O)O)c3ccccc3)c(=O)oc2c1C 2108237 TYQMSWXJIFLLJC-FQEVSTJZSA-N 409.438 3.293 0 40 HGAB biogenic COc1ccc(-n2c(=O)c3c4c(sc3n(CCN(C)C)c2=O)CCCCC4)cc1 2198016 BPVXZWUPIQXOGD-UHFFFAOYSA-N 413.543 3.053 0 40 HGAB COc1cccc(NC(=O)[C@@H](OC(=O)CNC(=O)c2ccccc2)c2ccccc2)c1 3280318 LFMIABXSAFZOTM-QFIPXVFZSA-N 418.449 3.348 0 40 HGAB C[C@H](NC(=O)c1ccccc1NC(=O)CSc1nnc(N)s1)c1ccccc1 3445346 AHVRQIXMQOBVSD-LBPRGKRZSA-N 413.528 3.342 0 40 HGAB COC(=O)c1cc(NC(=O)c2ccc(OC(F)F)c(OC)c2)cc(C(=O)OC)c1 3565613 IGMCGYICHRWPDM-UHFFFAOYSA-N 409.341 3.122 0 40 HGAB CCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3cccc(C)c3)cc2)CC1 4121616 UDLIIVSNOKFKJJ-UHFFFAOYSA-N 410.543 3.180 0 40 HGAB COCCn1c(SCC(=O)NCc2cccs2)nnc1-c1ccc(OC)cc1 4182941 WEMVAEVCUVOTGC-UHFFFAOYSA-N 418.544 3.070 0 40 HGAB COc1ccc([C@@H]2C(C(=O)N3CCOCC3)=C(C)Nc3nc4ccccc4n32)cc1 4786682 LBDBDFYHZVCDTQ-OAQYLSRUSA-N 404.470 3.193 0 40 HGAB Cc1ccccc1N(CC(=O)NC1CCCC1)C(=O)CCC(=O)Nc1nccs1 4848313 XVQLJQJUGWEGOR-UHFFFAOYSA-N 414.531 3.262 0 40 HGAB CCOC(=O)c1c(NS(=O)(=O)c2ccc(OC)c(OC)c2)sc2c1CCC2 4914302 JSKCGKALNNHKLZ-UHFFFAOYSA-N 411.501 3.232 0 40 HGAB COc1ccccc1N1C[C@H](C(=O)OCC(=O)Nc2cccc(Cl)c2C)CC1=O 5191991 YBOZKLUJOQOWGM-CQSZACIVSA-N 416.861 3.192 0 40 HGAB COC(=O)c1sccc1NC(=O)CCCC(=O)Nc1ccsc1C(=O)OC 6126196 PCJFESCUVBCQEJ-UHFFFAOYSA-N 410.473 3.130 0 40 HGAB Cc1ccc(Cl)cc1NC(=O)COc1ccccc1[C@@H]1CC(=O)Nc2ncnn21 6503861 HUIXQPFYXDMPNX-INIZCTEOSA-N 411.849 3.189 0 40 HGAB CCOC(=O)c1cccc(NC(=O)COc2cc(O)c3c(c2)OC(C)(C)CC3=O)c1 6624021 VHCLDWWLDSOPQS-UHFFFAOYSA-N 413.426 3.330 0 40 HGAB biogenic C[C@@H]1CCCN(CC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)C1 6882139 MCISZGOEKWOYAO-OAHLLOKOSA-N 413.971 3.185 0 40 HGAB Cc1cccc(NC(=O)COc2ccc(N3C[C@@H](C(=O)NCC(C)C)CC3=O)cc2)c1 7109731 GAHQRTXQEQQFOG-SFHVURJKSA-N 423.513 3.138 0 40 HGAB CCCC(CCC)C(=O)NCCn1ncc2c(=O)n(Cc3ccc(C)cc3)cnc21 9016233 IVNYEGLSDJZVLP-UHFFFAOYSA-N 409.534 3.282 0 40 HGAB Cc1cc(C(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)c(C)n1CCc1ccc(F)cc1 9337470 ODLKSEOJDRXJNE-QHCPKHFHSA-N 411.477 3.390 0 40 HGAB CN(C)CCN(C(=O)c1cccc(F)c1)c1nc2ccc(S(C)(=O)=O)cc2s1 10337337 ISHIRPPAKAYSAE-UHFFFAOYSA-N 421.519 3.047 0 40 HGAB Cn1c(SCC(=O)Nc2cc3c(cc2Cl)OCCO3)nc2ccsc2c1=O 11658395 NPNHQVPOWLWJRA-UHFFFAOYSA-N 423.903 3.150 0 40 HGAB COc1ccc(Cl)c2sc(N(CCN(C)C)C(=O)c3cc(C)n(C)n3)nc12 12229312 VGGOBMLQEGDNAK-UHFFFAOYSA-N 407.927 3.209 0 40 HGAB CC(=O)Nc1ccc(S(=O)(=O)N2CCC(C(=O)c3ccc(F)cc3)CC2)cc1 12471724 IOXNVUUMPMBCKS-UHFFFAOYSA-N 404.463 3.068 0 40 HGAB Cc1cc(N2CCN([C@@H](C)C(=O)N[C@@H](C)c3ccc(F)cc3)CC2)nc(C(C)C)n1 12746615 QQXKWTJGMZDCJK-ROUUACIJSA-N 413.541 3.435 0 40 HGAB CCc1ccc(-c2nnn(CC(=O)Nc3ccccc3OCC(F)(F)F)n2)cc1 12764142 LSOZPLDHHSJCAJ-UHFFFAOYSA-N 405.380 3.482 0 40 HGAB CCCCN(CC)S(=O)(=O)c1ccc(-n2ncc(Cl)c(Cl)c2=O)cc1 12947879 QENFJZRUWWRXFV-UHFFFAOYSA-N 404.319 3.350 0 40 HGAB CCOC(=O)c1nn(-c2ccc(C)cc2)c(=O)cc1NC(=O)c1ccccc1OCC 13010260 DJIOJOXJJHMSCV-UHFFFAOYSA-N 421.453 3.369 0 40 HGAB COC(=O)c1cc(O)cc(OC)c1C(=O)c1c(O)c(Cl)c(C)c(Cl)c1O 13512858 AXIPUIQLQUNOCF-UHFFFAOYSA-N 401.198 3.445 0 40 HGAB biogenic,in-vitro CCc1cccc(C)c1NC(=O)COC(=O)c1ccc(NC(=O)CCC(=O)O)cc1 13579063 DMETZOWKUSWZNJ-UHFFFAOYSA-N 412.442 3.156 0 40 HGAB CC(=O)c1ccc(NC(=O)CSC2=N[C@@H](c3c[nH]c4ccccc34)NC(N)=N2)cc1 13579122 XAXDLJIFJBRYKP-IBGZPJMESA-N 420.498 3.015 0 40 HGAB COc1ccc(C(=O)NC(c2ccccc2)c2ccccc2)cc1S(=O)(=O)N(C)C 13845002 LUIKOEADFANQTB-UHFFFAOYSA-N 424.522 3.465 0 40 HGAB Cc1[nH]c2ccccc2c1[C@@H]1c2ccccc2C(=O)N1CCC(=O)N1CCN(C)CC1 13945791 WSFKECQCMCYWFG-DEOSSOPVSA-N 416.525 3.186 0 40 HGAB O=C(CNC(=O)c1ccc(Cl)cc1Cl)Nc1cccc(C(=O)NC2CC2)c1 14201850 FDXOLAVUKPLWOD-UHFFFAOYSA-N 406.269 3.254 0 40 HGAB CN(Cc1ccc(OCC(=O)Nc2ccc(Cl)cc2Cl)cc1)S(C)(=O)=O 14400409 KFHJBAVNNANZQL-UHFFFAOYSA-N 417.314 3.402 0 40 HGAB Cc1cc(Br)ccc1NC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O 14939214 WIPANXIBBQIPEH-UHFFFAOYSA-N 409.305 3.332 0 40 HGAB CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@H](C)c2ccc(F)cc2)ccc1OC 15389003 MAYUAHIDMREGSG-CQSZACIVSA-N 408.495 3.356 0 40 HGAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)NCCC2=CCCCC2)cc1Cl 16692504 BFSTXCDGZGZIKX-UHFFFAOYSA-N 414.955 3.366 0 40 HGAB Cc1ccc(COC(=O)c2cccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)c2)cc1 18083135 YAHAJWCQGGEIHJ-CALCHBBNSA-N 403.500 3.150 0 40 HGAB Cc1ccc(NC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cccc3nsnc23)cc1 19077344 YRGQFPSXDYWJRD-INIZCTEOSA-N 416.528 3.182 0 40 HGAB COc1ccc(OC)c(-c2csc(NC(=O)c3cc(C(C)C)[nH]c(=O)n3)n2)c1 19452491 ITOCIHDERVMUCU-UHFFFAOYSA-N 400.460 3.286 0 40 HGAB CCNC(=O)[C@]1(Cc2ccccc2-c2cccs2)CCN(C(=O)c2cnccn2)C1 19529109 MIRBUCNPNWPJRH-QHCPKHFHSA-N 420.538 3.416 0 40 HGAB CCOc1ccccc1Cc1ccc([C@@H]2CCCN(C(=O)CN3CCOCC3)C2)nc1 19687302 MJXBVHCABDAWBJ-JOCHJYFZSA-N 423.557 3.109 0 40 HGAB COCCNC(=O)c1sc2ncccc2c1[C@H]1CCN(c2cc(C)nc(C)n2)C1 19702010 YVODRBQHNZWGNF-HNNXBMFYSA-N 411.531 3.073 0 40 HGAB COc1ccc(C)cc1N1C[C@H](C(=O)Nc2cnn(Cc3cccc(F)c3)c2)CC1=O 19715233 GQWJCGKITWMPTH-QGZVFWFLSA-N 422.460 3.379 0 40 HGAB CCN(CC(=O)N[C@@H](C)c1ccc(F)cc1)S(=O)(=O)c1cc(C)ccc1OC 22536320 MDJKELCFRXWSDT-HNNXBMFYSA-N 408.495 3.031 0 40 HGAB CC(C)CNS(=O)(=O)c1ccc(OCC(=O)N[C@@H](C)c2ccc(F)cc2)cc1 22536772 QEFNOBVXMHAQTH-HNNXBMFYSA-N 408.495 3.016 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(NCC(=O)Nc2cccc(Cl)c2C)nc1 23805365 HOWXZSLQBWOGEB-UHFFFAOYSA-N 410.927 3.125 0 40 HGAB O=C(c1ccc2[nH]cnc2c1)N1CCN(Cc2ccc(Br)s2)CC1 23846970 SQZYGOCLNUMVLL-UHFFFAOYSA-N 405.321 3.345 0 40 HGAB Cc1nc(C2(NS(=O)(=O)c3ccc4c(c3)OCCCO4)CCCCCC2)no1 24688985 GCYWBOCHLWKNSN-UHFFFAOYSA-N 407.492 3.067 0 40 HGAB CS(=O)(=O)N1CCCN(C(=O)c2cc(-c3cccs3)nc3ccccc23)CC1 25460817 SIYIVMNNCYEACH-UHFFFAOYSA-N 415.540 3.071 0 40 HGAB C[C@H](Sc1nnc(-c2cccs2)n1C)C(=O)c1ccc(NS(C)(=O)=O)cc1 26981885 DJHCFYFFDZOOLJ-NSHDSACASA-N 422.557 3.279 0 40 HGAB O=C(NC1CCN(C(=O)c2nn(-c3ccccc3)c3c2CCC3)CC1)c1ccccc1 27120351 YXJAFLQXMMUYTO-UHFFFAOYSA-N 414.509 3.396 0 40 HGAB COc1ccc(CCNC(=O)[C@H](C)N2CCC[C@@H](C(=O)Nc3ccccc3)C2)cc1 27573458 ZATLQMOVZNBWCC-AZUAARDMSA-N 409.530 3.093 0 40 HGAB Cc1ccc(S(=O)(=O)N2C(=O)CC[C@H]2C(=O)Nc2c(C)cc(C)cc2C)cc1 28209636 SOMPVADUVMAGLI-SFHVURJKSA-N 400.500 3.239 0 40 HGAB CCCn1c(=O)[nH]c(=O)c2cc(C(=O)Nc3ccc(OC(F)F)c(Cl)c3)cnc21 29636251 ZFEVUSSPEWBAAE-UHFFFAOYSA-N 424.791 3.002 0 40 HGAB COc1ccc(N2C[C@@H](C(=O)N3CCN(c4cccc(C)c4C)CC3)CC2=O)cc1 30808122 DWHPWLBVXRMHOL-IBGZPJMESA-N 407.514 3.014 0 40 HGAB CCCSc1nnc(NC(=O)c2nn(-c3ccc(C)c(C)c3)ccc2=O)s1 32594028 HNMIJVNJWMALNJ-UHFFFAOYSA-N 401.517 3.455 0 40 HGAB O=C(CCNC(=O)c1ccc(Cl)cc1)NCc1ccc(C(=O)N2CCCC2)cc1 32901116 WMLMWKPIIBALNG-UHFFFAOYSA-N 413.905 3.012 0 40 HGAB Cc1[nH]c(=O)[nH]c(=O)c1NC(=O)c1sc2nc3ccc(C(C)C)cc3cc2c1N 35288897 WETGDVVGKLHPRG-UHFFFAOYSA-N 409.471 3.092 0 40 HGAB FC(F)Sc1ccc(NC(=S)NC[C@H]([C@@H]2CCOC2)N2CCOCC2)cc1 40050378 GYHBUUZKNHNCTJ-CZUORRHYSA-N 417.547 3.025 0 40 HGAB COc1cc(C(=O)Nc2nn3c(-c4ccccc4)nnc3s2)cc(OC)c1OC 41076434 BTUHVYJQCWRUIS-UHFFFAOYSA-N 411.443 3.131 0 40 HGAB CNC(=O)Cc1ccc(NC(=O)[C@H](NC(=O)c2ccc(Cl)cc2)C(C)C)cc1 48236039 RWXBYWMDIUPNST-LJQANCHMSA-N 401.894 3.022 0 40 HGAB CCOC(=O)c1ccccc1NC(=O)CN1CC(c2nc(-c3cccs3)no2)C1 49484568 DUDUEQCEZWAOJC-UHFFFAOYSA-N 412.471 3.013 0 40 HGAB Cc1nc2ccccc2nc1COC(=O)/C(=C/c1cccc(F)c1)n1nnnc1C 55349459 YKVDBLPCHDVNGO-JAIQZWGSSA-N 404.405 3.114 0 40 HGAB O=C(c1cc(-c2ccccc2Cl)[nH]n1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 57413226 LZDOUYPQPGVTGB-UHFFFAOYSA-N 424.888 3.417 0 40 HGAB Cc1cc(NC(=O)c2cc3cc(Cl)ccc3nc2C)n([C@H]2CCS(=O)(=O)C2)n1 58132791 OTWJGPKIBCWBAN-HNNXBMFYSA-N 418.906 3.313 0 40 HGAB O[C@@H](CN1CCCN(c2ncccn2)CC1)Cn1c2ccccc2c2ccccc21 61721957 JNAKPEFQAFTWNI-IBGZPJMESA-N 401.514 3.158 0 40 HGAB CCOC(=O)C[C@@H](c1cc(OC)c(O)c(OC)c1)c1c(O)c2ccccc2[nH]c1=O 72325636 UTMJXENGXIPGAN-AWEZNQCLSA-N 413.426 3.042 0 40 HGAB biogenic Cc1cc(Nc2cc([C@@H]3CCCN3CC(=O)Nc3ccccc3F)nc(C)n2)[nH]n1 72361477 IRKAKGOJVBIROL-SFHVURJKSA-N 409.469 3.475 0 40 HGAB O=C(CN1C(=O)C[C@@H](c2ccccc2F)C1=O)Nc1ccc(OC(F)(F)F)cc1 84501872 OZOSXDMZZAHMAH-AWEZNQCLSA-N 410.323 3.206 0 40 HGAB Cn1c(Cc2ccccc2)nnc1SCC(=O)N1c2ccccc2NC(=O)C1(C)C 89917365 LCUFPCKPCRQNOT-UHFFFAOYSA-N 421.526 3.262 0 40 HGAB O=C1NCCN(C(=O)c2cc(Cl)c3c(c2)OCCO3)[C@H]1c1ccccc1Cl 96010169 FWXXOTVSUFAKPU-INIZCTEOSA-N 407.253 3.078 0 40 HGAB O=C1C[C@@]2(CCN(S(=O)(=O)c3ccccc3Br)C2)Oc2ccccc21 96367667 LVWOMKJVGPDEDP-GOSISDBHSA-N 422.300 3.248 0 40 HGAB CCOC(=O)CN(c1ccccc1Br)S(=O)(=O)c1ccc(F)cc1 113875582 CZISTIRQOHVFHA-UHFFFAOYSA-N 416.268 3.347 0 40 HGAB CC(C)OCCCNS(=O)(=O)c1ccc(NCCc2ccccc2)c(C(=O)O)c1 217645921 ICIOKMKDBKWWNO-UHFFFAOYSA-N 420.531 3.133 0 40 HGAB Cc1ccc(OC[C@H](C)NC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)cc1 219256819 MFMUPHRFKUKSGA-INIZCTEOSA-N 422.572 3.041 0 40 HGAB COc1cccc(N([C@H](C)C(=O)NCCCc2ccccc2Cl)S(C)(=O)=O)c1 220176752 NNKRHSPEQPZIDC-OAHLLOKOSA-N 424.950 3.252 0 40 HGAB Cc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN(C)C)nc1 223215164 OLTHXGWYXSOHGT-FGZHOGPDSA-N 420.586 3.500 0 40 HGAB Cc1ccc(S(=O)(=O)N(C)Cc2ncc(C(=O)Nc3c(C)cccc3C)cn2)cc1 223381801 OBZXIFGBLPTXCW-UHFFFAOYSA-N 424.526 3.475 0 40 HGAB CS(=O)(=O)N(CC(=O)NCCc1ccc(F)cc1)c1ccc(Cl)cc1Cl 223875184 QYKJMCILEBAVMT-UHFFFAOYSA-N 419.305 3.257 0 40 HGAB CSc1ccccc1C(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1 224280737 YWBFUNDWKLGCCM-UHFFFAOYSA-N 420.556 3.002 0 40 HGAB CC(C)Oc1ccc(CCCNC(=O)[C@@H](c2ccccc2)N(C)S(C)(=O)=O)cc1 225584489 VVQGJCLNNJPAGS-OAQYLSRUSA-N 418.559 3.155 0 40 HGAB NC(=O)[C@@]1(c2ccccn2)CCCN(Cc2cccc(OCc3ccccn3)c2)C1 257210643 BVOVFBSNFWDQJB-DEOSSOPVSA-N 402.498 3.075 0 40 HGAB Cc1nc(C2CCN(C(=O)C(C)(C)C)CC2)cc(N2CC3(CCOCC3)OC2=O)n1 257332380 XXBTVRFCKFYLPB-UHFFFAOYSA-N 416.522 3.043 0 40 HGAB N#Cc1ccc(S(=O)(=O)N(CCn2ccc(C(F)(F)F)n2)C2CCCC2)cc1 390830773 NGEPFLXQQBKOFN-UHFFFAOYSA-N 412.437 3.407 0 40 HGAB COc1cccc(NS(=O)(=O)c2ccc(OCC(=O)N3CCC(C)CC3)cc2)c1 408607963 REVBISDNXICRHE-UHFFFAOYSA-N 418.515 3.133 0 40 HGAB CCCNS(=O)(=O)c1ccc(OCC(=O)NCc2ccccc2Cl)c(C)c1 408625394 SMCVWTYKFXLDAD-UHFFFAOYSA-N 410.923 3.032 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)NCCc1ccccc1 408701444 YBLDJMHAWURLQS-UHFFFAOYSA-N 416.543 3.088 0 40 HGAB Cn1cc(C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCn2cccc2)c2ccccc21 575444493 JLVYQMDHHWVUKS-LJQANCHMSA-N 410.518 3.232 0 40 HGAB C[C@@H]1OC[C@]2(CC[C@H](CNC(=O)c3c[nH]c4ncc(Br)cc34)O2)[C@H]1C 1652140642 IOHVDNHNHOGLGV-KNQLMXMPSA-N 408.296 3.028 0 40 HGAB O=S(=O)(c1ccccc1Br)N1CCC[C@H](COc2ccncc2)C1 1775970296 AMYPYRQUMROBAN-AWEZNQCLSA-N 411.321 3.324 0 40 HGAB Cc1cc(C)n(-c2ccc(N3CCN(c4ncccc4C(F)(F)F)CC3)nn2)n1 1889148963 FNNYHUUDUXGHMB-UHFFFAOYSA-N 403.412 3.020 0 40 HGAB COc1ccc(CNC(=O)N2CCC(Cc3nc(-c4ccncc4)no3)CC2)cc1 1889239973 VLEXRCRCRFHRRY-UHFFFAOYSA-N 407.474 3.305 0 40 HGAB COc1ccc(C(=O)Cn2nnc(-c3ccccc3NC(=O)c3ccccc3)n2)cc1 1372715 DQBZXQJSJZTCCD-UHFFFAOYSA-N 413.437 3.484 0 40 HGAB Cn1c(SCC(=O)NC2CCCCCC2)nnc1[C@@H]1COc2ccccc2O1 21138052 PCXKKMREKNORSN-KRWDZBQOSA-N 402.520 3.259 0 40 HGAB CCC[C@@H](C)NC(=O)Cn1c(=O)c(=O)n(Cc2ccccc2)c2ccc(Cl)cc21 2641244 REAIALFDPKXINW-OAHLLOKOSA-N 413.905 3.170 0 40 HGAB O=C(O)COc1ccc([C@@H]2Nc3ccccc3S(=O)(=O)N2Cc2ccccc2)cc1 2502574 FUIVQSUYBNUZPT-JOCHJYFZSA-N 424.478 3.465 0 40 HGAB O=C(c1ccc(O)cc1)C1CCN(C(=O)CCCc2nc3ccccc3c(=O)[nH]2)CC1 32898907 IEOPWRCNQGYLJV-UHFFFAOYSA-N 419.481 3.073 0 40 HGAB CCOC(=O)c1ccc(NC(=O)[C@@H](C)N(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1 6206749 DRROENADUIDRSI-MRXNPFEDSA-N 418.515 3.273 0 40 HGAB C[C@H](NC(=O)CCCCC(=O)N[C@@H](C)[C@H](O)c1ccccc1)[C@H](O)c1ccccc1 6467999 QMYJLCSSUSXHJC-MQQADFIWSA-N 412.530 3.023 0 40 HGAB COc1cccc(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)N[C@@H](C)CCCC(C)C)[C@H]4C2=O)c1 6670061 ZYQVPVZYFQKFEK-DOEFQSBXSA-N 412.530 3.313 0 40 HGAB Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)N2c3ccccc3C[C@H]2C)s1 6817979 HBLYTGLFBVUOCL-CYBMUJFWSA-N 414.512 3.239 0 40 HGAB CC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc(C(=O)OCC(C)C)cc3)ccc21 7360907 UMECZDVLRPNCMI-UHFFFAOYSA-N 416.499 3.209 0 40 HGAB COc1ccc(S(=O)(=O)[C@@H](CNC(=O)Cc2cccs2)c2cccnc2)cc1 8026955 OINBSMWAKQGFBI-IBGZPJMESA-N 416.524 3.026 0 40 HGAB COc1ccc(NC(=O)CS(=O)(=O)c2ccc(Cl)cc2)cc1OC(F)F 32905202 UZIDBPVKVIJSHH-UHFFFAOYSA-N 405.806 3.362 0 40 HGAB CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(F)cc3C)CC2)cc1 8344987 ONWGULDZDKWAAU-UHFFFAOYSA-N 418.490 3.376 0 40 HGAB CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1cccc(S(C)(=O)=O)c1 8412809 WXBCXSSOQHXDFA-UHFFFAOYSA-N 415.298 3.108 0 40 HGAB CCc1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(OC)cc2)C1 9974174 OBYJUBOSJVPJGX-QGZVFWFLSA-N 402.516 3.297 0 40 HGAB Cc1ccc(-c2cc(C(=O)N(Cc3ccco3)[C@@H]3CCS(=O)(=O)C3)no2)cc1F 20898235 AMROCENUECHKEJ-OAHLLOKOSA-N 418.446 3.212 0 40 HGAB C[C@@H](C(=O)NCCc1ccc(F)cc1)N1CCN(Cc2ccc(Cl)cc2)CC1 22779516 SKZKMNPAOFRRFE-KRWDZBQOSA-N 403.929 3.344 0 40 HGAB COc1ccc(CNC(=O)CCS[C@H]2CCc3ccccc3NC2=O)cc1OC 12409086 JVTNNHMPXYVFSO-FQEVSTJZSA-N 414.527 3.397 0 40 HGAB NC(=O)N[C@@H](CC(=O)NCc1ccccc1Cn1ccnc1)c1ccc(Cl)cc1 24437508 TUKQUHGFQWUNDM-IBGZPJMESA-N 411.893 3.001 0 40 HGAB COc1cc(CNC(=O)[C@@H]2[C@H]3CC[C@@]4(CC(=O)c5ccccc5O4)[C@@H]32)cc(OC)c1 100124449 CMVHSIXDJRAZPD-UWSZBUKDSA-N 407.466 3.380 0 40 HGAB C[C@@H](Oc1ccc2c3c(c(=O)oc2c1)CCC3)C(=O)NC[C@H]1CC[C@H](C(=O)O)CC1 101062259 CIPDGAJKNINTBP-KFWWJZLASA-N 413.470 3.056 0 40 HGAB COc1ccc(-c2csc(NC(=O)[C@H](C)N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)n2)cc1 12538505 DDTIOBQNZLCVIC-RCBQFDQVSA-N 411.483 3.097 0 40 HGAB Cc1cnc(C(=O)NC[C@H]2CC[C@H](c3c(C(N)=O)sc4ncccc43)CC2)cn1 100688412 OQRTVXNCANUSOW-OKILXGFUSA-N 409.515 3.197 0 40 HGAB Cc1nn(C)c2ncc(C(=O)N[C@H]3CCCC[C@H]3CNC(=O)OC(C)(C)C)cc12 78877520 JDPVNWIJPHNXOA-YOEHRIQHSA-N 401.511 3.090 0 40 HGAB CC1CCN([C@H](CNC(=O)[C@@H]2CCCN(c3cnccn3)C2)c2cccs2)CC1 29754323 FZIWYLRRDCLRKB-RTBURBONSA-N 413.591 3.344 0 40 HGAB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)CCN1C(=O)CSc2ccccc21 10022802 WSNMTLFHKXYXOW-UHFFFAOYSA-N 420.538 3.419 0 40 HGAB O=C(c1ccc(F)cc1)c1ccccc1C(=O)N1CCCN(C[C@@H]2CCCO2)CC1 58203446 OJZQYUZOEYJOBL-FQEVSTJZSA-N 410.489 3.384 0 40 HGAB COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2 48236911 WOEYAMBFSZDCAI-LRIKBMROSA-N 416.562 3.042 0 40 HGAB CC[C@@H](C)NC(=O)c1c(N)n(Cc2ccc3c(c2)OCO3)c2nc3ccccc3nc12 2258103 RKKYWZLPQUTGJX-CYBMUJFWSA-N 417.469 3.472 0 40 HGAB O=C(COc1ccc(-c2nnco2)cc1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 36396330 TXJALKFEOFBPFX-SFHVURJKSA-N 407.426 3.250 0 40 HGAB C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)N1CCC(N(C)S(C)(=O)=O)CC1 48355102 ASXVEHWJAYDBCT-KRWDZBQOSA-N 415.559 3.036 0 40 HGAB C[C@H]1CCCN(CC(=O)N(C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C1 12858537 CMDRFEMCQDXWLA-LBPRGKRZSA-N 405.848 3.488 0 40 HGAB C[C@H](OC(=O)COc1ccc2c(c1)CCC(=O)N2)C(=O)Nc1ccc2c(c1)CCC2 12998646 MQKMJRCZPFAQCI-AWEZNQCLSA-N 408.454 3.009 0 40 HGAB CSc1nnc(SCC(=O)N2CCN(Cc3cccc(Cl)c3)CC2)s1 12997655 SGIOPHDOEVMGPI-UHFFFAOYSA-N 415.009 3.350 0 40 HGAB COC(=O)C1=C(CSc2nc3ccccc3[nH]2)NC(=O)N[C@H]1c1ccc(F)cc1 5072526 KDGVLGXPKYFKCR-KRWDZBQOSA-N 412.446 3.275 0 40 HGAB O=C(/C=C/c1ccc(C(=O)NC2CC2)cc1)Nc1ccn(CCc2ccccn2)n1 65585288 POZBKLZLTUNNSF-IZZDOVSWSA-N 401.470 3.065 0 40 HGAB Cc1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccc(F)cc3)[C@H]2c2ccc(C)cc2)cc1 409051832 BUUYJMCNORFJNI-VNGKGULCSA-O 416.476 3.459 0 40 HGAB CC(C)NC(=O)[C@@H](C)[C@@H]1CC[C@@]2(C)CC[C@H](NC(=O)c3ccccn3)[C@@H](C)[C@@H]2[C@H]1O 20467179 WYRZWRYAGNWBII-IINMDLNZSA-N 415.578 3.164 0 40 HGAB biogenic,in-vitro CCOc1cc(/C=C/C(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)cc(Cl)c1OC 19619867 VYZFORSZVVQZSM-SOFGYWHQSA-N 424.906 3.355 0 40 HGAB O=C(CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O)c1cc(Cl)sc1Cl 8883315 PSNKKSHSSDARIU-KRWDZBQOSA-N 411.266 3.467 0 40 HGAB CCOc1ccc2nc(SCC(=O)N(C)CC(=O)Nc3ccc(F)cc3)[nH]c2c1 4830350 XOTYJWLGWOPILU-UHFFFAOYSA-N 416.478 3.290 0 40 HGAB CCn1c(S[C@@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)nnc1C1CC1 6993416 BDWIQYRXJYEJFH-AWEZNQCLSA-N 401.536 3.131 0 40 HGAB COc1ccccc1/C=[N+]1\NC(=O)[C@H](NC(=O)c2cccc(C)c2)[C@H]1c1ccccc1 409055525 CIUAMOWWHMPKBR-WFZBXURCSA-O 414.485 3.020 0 40 HGAB O=c1[nH]c(CN2CCN(c3ccc(O)cc3)CC2)nc2scc(-c3ccco3)c12 7674305 BHOSUQPGDDBWIR-UHFFFAOYSA-N 408.483 3.272 0 40 HGAB COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)c2cc(Cl)ccc2OC)c1 16189158 USRQCKUJTHALCA-UHFFFAOYSA-N 417.893 3.139 0 40 HGAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)OC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O 7807190 HGABNJDRKFXVND-ZIAGYGMSSA-N 404.422 3.275 0 40 HGAB CCS(=O)(=O)N(Cc1cccc(Cl)c1)c1c(C)n(C)n(-c2ccccc2)c1=O 8040908 GPMINVJAJITKID-UHFFFAOYSA-N 419.934 3.494 0 40 HGAB Cc1ccc(NC(=O)CCNS(=O)(=O)c2ccccc2Br)cc1C 8291615 VVHPKWDYWFPILT-UHFFFAOYSA-N 411.321 3.373 0 40 HGAB COc1ccccc1N1CCN(Cc2ccc(C(=O)NCc3ccncc3)cc2)CC1 408857204 FIDVKIROLCFOFR-UHFFFAOYSA-N 416.525 3.342 0 40 HGAB Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)N(C)C[C@@H](O)C(F)(F)F 95993480 NMLOKRTWWNTZMK-GFCCVEGCSA-N 404.385 3.443 0 40 HGAB COC(=O)c1ccccc1NC(=O)COc1ncnc2ccc(Br)cc12 9958571 OZIRDIGPBYFVNS-UHFFFAOYSA-N 416.231 3.196 0 40 HGAB CCCNC(=O)CN1C(=O)S/C(=C\c2c(OC)ccc3ccc(OC)cc23)C1=O 409199399 CLJFDDFDOZARHZ-WQRHYEAKSA-N 414.483 3.420 0 40 HGAB O=C(NCCc1ccc(S(=O)(=O)NC2CCCCC2)cc1)c1cccc(F)c1 22227313 VMEYXHSLBIWSEK-UHFFFAOYSA-N 404.507 3.409 0 40 HGAB O=C(NC[C@H]1CCCCN1S(=O)(=O)Cc1cccc(F)c1)Nc1ccccc1 89845669 VMSYSFIMKGLFLL-LJQANCHMSA-N 405.495 3.332 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccccc3C)C2)cc1OC 408553888 RBWHTLXMQMECHA-INIZCTEOSA-N 418.515 3.052 0 40 HGAB CSc1cccc(N2C[C@H](C(=O)Nc3ccc4c(c3)NC(=O)[C@H](C)O4)CC2=O)c1 32772887 DUWMJWXDKFIEQM-QWHCGFSZSA-N 411.483 3.120 0 40 HGAB COCCOc1ncccc1-c1noc([C@@H]2CCCN2Cc2ccc(C(=O)O)cc2)n1 35424964 FKLHYKZNPDNVJU-SFHVURJKSA-N 424.457 3.192 0 40 HGAB biogenic,in-vitro COc1c2c(cc3c1[C@@H](CC(=O)C1(c4ccccc4)CCNCC1)N(C)CC3)OCO2 524731500 ACFKGJUPVHJCNO-LJQANCHMSA-N 422.525 3.234 0 40 HGAB biogenic CCOc1ccc(S(=O)(=O)N(CC)CC(=O)NCCc2ccccc2)cc1Cl 39986486 PYEDYUDWNFJSEP-UHFFFAOYSA-N 424.950 3.108 0 40 HGAB CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1cc(C(=O)OC)ccc1C(=O)OC 30847472 CTHYWCFOAZJYBV-SFHVURJKSA-N 401.415 3.065 0 40 HGAB Cc1c([C@@H](C)NC(=O)[C@H](C)NC(=O)c2cccs2)cnn1-c1ccc(F)cc1 32818213 LQKFJPJUWSMJEP-OLZOCXBDSA-N 400.479 3.377 0 40 HGAB Cc1ccc(C2=NC3(CCN(CC(=O)Nc4c(C)cccc4C)CC3)NC2=O)cc1C 35430753 HKKUWDKERZJWQJ-UHFFFAOYSA-N 418.541 3.270 0 40 HGAB biogenic O=C(c1nc(N2CCCCC2)ncc1Cl)N1CCN(Cc2ccsc2)CC1 44366660 FMOCVERKFARHMU-UHFFFAOYSA-N 405.955 3.140 0 40 HGAB COc1cccc(CN(C(=O)COc2ccccc2F)[C@H](C)C(=O)NCC(C)C)c1 224451762 KCNUZJPWDSQWBZ-QGZVFWFLSA-N 416.493 3.403 0 40 HGAB CCc1ccccc1N(CC(=O)Nc1ccc(N2CCCC2)cc1)S(C)(=O)=O 224904015 ONLVSLGVLVHNNZ-UHFFFAOYSA-N 401.532 3.254 0 40 HGAB CC(=O)Nc1ccc(NC(=O)CCCN(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1 222711794 ZLZFASJZYVTRBF-UHFFFAOYSA-N 417.531 3.447 0 40 HGAB O=C(NCc1cccnc1)C1CCN(C(=O)c2ccc(F)cc2Br)CC1 40072455 BSZPHTOJWHUSHZ-UHFFFAOYSA-N 420.282 3.152 0 40 HGAB Cc1cccc(CCCNC(=O)[C@@H](C)N(c2ccc(F)c(F)c2)S(C)(=O)=O)c1 220458687 YVPVAAKVONYRLO-OAHLLOKOSA-N 410.486 3.177 0 40 HGAB CCOc1ccc(S(=O)(=O)N(CC(=O)OC)c2ccc(C(F)(F)F)cc2)cc1 224601496 FNIAXHMOFOGORA-UHFFFAOYSA-N 417.405 3.472 0 40 HGAB C[C@@H](NC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1)c1ccc(S(C)(=O)=O)cc1 44857106 BXLUAGFQRDOCEO-VQIMIIECSA-N 418.534 3.319 0 40 HGAB CC(C)Oc1cccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)c1 46663323 NOTNNFIOQQYMAK-IBGZPJMESA-N 416.543 3.191 0 40 HGAB O=S(=O)(Cc1ccccc1)N1C[C@@H]2[C@H](CN2Cc2ccc(C(F)(F)F)cc2)C1 96080562 IFPJCIKFNYVVTI-IEBWSBKVSA-N 410.461 3.351 0 40 HGAB COc1ccc(Cc2cnc([C@@H]3CCCN(S(=O)(=O)c4cccnc4)C3)o2)cc1 257333466 YBRKXXMFTRLRCH-QGZVFWFLSA-N 413.499 3.237 0 40 HGAB Cc1nc([C@H]2CCCN(C(=O)CCc3ccccc3)C2)nc(C)c1CC(=O)N(C)C 257314557 UXLVZKMHACLZKX-FQEVSTJZSA-N 408.546 3.063 0 40 HGAB C[C@]12CCN(C(=O)Cn3cccn3)[C@H]1CCC(=O)N2Cc1ccc(C(F)(F)F)cc1 257305600 SQSPKHXCMGRBRR-PXNSSMCTSA-N 420.435 3.084 0 40 HGAB C[C@H]1CCCN(c2cc(C(F)(F)F)nc(NC(=S)NC[C@H]3CCCO3)n2)C1 260724277 YPUAQZIYIREOCA-NWDGAFQWSA-N 403.474 3.197 0 40 HGAB CCN1CCO[C@H](CN[C@@H](C(=O)Nc2ccc(OC)c(Cl)c2)c2ccccc2)C1 602589770 FWQFIVXWFADHHN-WIYYLYMNSA-N 417.937 3.339 0 40 HGAB Cc1cc2c(cc1CN1CCC[C@H](c3cc(=O)[nH]c(-c4cccnc4)n3)C1)OCO2 72393162 SNFWRWULCBUOOC-KRWDZBQOSA-N 404.470 3.249 0 40 HGAB O=C1CC[C@@H]2CN(S(=O)(=O)Cc3cccc(C(F)(F)F)c3)CC[C@H]2N1C1CC1 95449617 WBZNTOVWNYNLOZ-RHSMWYFYSA-N 416.465 3.011 0 40 HGAB O=C(COc1ccc(Br)cc1Cl)NC[C@H]1COc2ccccc2O1 5216034 TVXWYRKUDJMOSN-LBPRGKRZSA-N 412.667 3.438 0 40 HGAB Cc1ccc(Cl)cc1NC(=O)CSc1nnc2nc(O)c(C(C)(C)C)nn12 5144295 LXPJLSFSRJKZCL-UHFFFAOYSA-N 406.899 3.215 0 40 HGAB CO[C@@H]1CCC[C@H](C(=O)N2CCC[C@H]2Cn2nc(-c3ccc(F)cc3)ccc2=O)C1 12144935 LLOSWUFTIIOPKK-YSIASYRMSA-N 413.493 3.246 0 40 HGAB CC(C)NC(=O)NC[C@H]1C[C@@H]2CCN1C[C@@H]2CN1CCC(Cc2ccccc2)CC1 12602545 SFLRDGFGTSGTKN-KMDXXIMOSA-N 412.622 3.359 0 40 HGAB biogenic,in-vitro Cc1nn2c(C)c(C(=O)N3CCN(c4ccccc4)CC3)nnc2c1-c1ccccc1 14164714 NKHGPKPPJMHDQH-UHFFFAOYSA-N 412.497 3.371 0 40 HGAB COCCCNC(=O)c1ccccc1NC(=O)CCCOc1ccc(OC)cc1 14401544 ZOWKJSUZYCQZBT-UHFFFAOYSA-N 400.475 3.259 0 40 HGAB Cc1ccc(-n2nnnc2-c2cnc(NCC(=O)O)nc2-c2ccccc2Cl)cc1 16311621 ZGJWPYISLLICRT-UHFFFAOYSA-N 421.848 3.245 0 40 HGAB COc1ccc(C(=O)N2CCC[C@@H]2c2nc(N(C)C)ncc2-c2ccncc2C)cn1 19239857 IQSHVZRVJMUGSF-LJQANCHMSA-N 418.501 3.294 0 40 HGAB O=C(Cn1cncn1)N1CCC[C@@H](c2nc(-c3cccs3)cc(C(F)(F)F)n2)C1 19344335 SIMOBGKMLAPRGJ-GFCCVEGCSA-N 422.436 3.222 0 40 HGAB COCC(=O)N1CCC(c2nc(C)c3c(n2)N(Cc2ccccc2OC)CCC3)CC1 19705659 NTRNSYSYUJGHMP-UHFFFAOYSA-N 424.545 3.099 0 40 HGAB COc1ccc(CCC(=O)N2CCC[C@H](c3ccc(C(=O)N(C)C)cn3)C2)cc1C 19705900 MICFKLXUEOPZCW-FQEVSTJZSA-N 409.530 3.439 0 40 HGAB COc1cc(C)c(/C=C2\SC(=O)N(CC(=O)NCc3ccco3)C2=O)cc1C 8334004 JBCNGHXLCMWLLT-MFOYZWKCSA-N 400.456 3.258 0 40 HGAB Cc1nccn1CCC(=O)N1CC=C(n2c(C)nc(=O)c3cc(Cl)ccc32)CC1 12143346 LCVHOESVXVCISY-UHFFFAOYSA-N 411.893 3.027 0 40 HGAB CN(CCc1ccncc1)C(=O)c1cc(-c2ccccn2)c(N2CCOCC2)s1 12222432 YQMXPQQLXDNOBS-UHFFFAOYSA-N 408.527 3.356 0 40 HGAB COc1ccc(CN2CCC[C@@H](c3nc(-c4ccncc4)cc(=O)[nH]3)C2)c(OC)c1 19552306 PPCYKROBTPPCPH-GOSISDBHSA-N 406.486 3.229 0 40 HGAB COc1cc(OC)nc(O[C@H](C(=O)O)[C@@](C)(Oc2ccccc2)c2ccccc2)n1 34526367 ZEIQFLAUJKHOLJ-KNQAVFIVSA-N 410.426 3.320 0 40 HGAB in-vitro C[C@@H](OC(=O)CCn1nc(-c2cccs2)oc1=O)c1nnc(-c2ccccc2)o1 29746552 WYWQDXBDXVSZEJ-GFCCVEGCSA-N 412.427 3.309 0 40 HGAB CN1CCN(c2ccc(-c3cccc(NC(=O)c4ccc(F)cc4F)c3)nn2)CC1 4939868 NQYQMYWWHJODBJ-UHFFFAOYSA-N 409.440 3.426 0 40 HGAB COc1ccc(CCN[C@@H](CC(=O)Nc2ccc(C(C)C)cc2)C(=O)O)cc1OC 4939510 HABSLNATHIOEDP-IBGZPJMESA-N 414.502 3.441 0 40 HGAB COc1ccc(CCNC(=O)N[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1OC 5195900 DFWAJAOGXQREDE-INIZCTEOSA-N 417.893 3.004 0 40 HGAB Cc1cc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)n(C(C)C)n1 13656999 PFMMFQZWLKFPDT-GFCCVEGCSA-N 416.956 3.279 0 40 HGAB C[C@@H](CCc1ccccc1)NC(=O)C1CCN(c2nc3ccccc3[nH]c2=O)CC1 22582799 ZCWYKWSGZIMFLT-KRWDZBQOSA-N 404.514 3.277 0 40 HGAB Cc1cccc(C(=O)NC2CCN(C(=O)c3cn(-c4ccc(F)c(C)c4)nn3)CC2)c1 49406512 KMSAHTQVPXGMON-UHFFFAOYSA-N 421.476 3.058 0 40 HGAB O=C(NCCN1c2ccccc2N(C2CC2)S1(=O)=O)c1cccc2ccccc12 585147630 IUBHLVODIGJVHK-UHFFFAOYSA-N 407.495 3.303 0 40 HGAB CCOC(=O)Cc1cs/c(=N\c2ccc(C)c(C)c2)n1CCCN1CCOCC1 5299003 XFMVUNJOVIALMK-FCQUAONHSA-N 417.575 3.227 0 40 HGAB CCc1cc(=O)oc2c(C)c(O[C@@H](C)C(=O)N[C@@H](C(=O)O)c3ccccc3)ccc12 6359086 YJFDFURMBSVLEB-VBKZILBWSA-N 409.438 3.373 0 40 HGAB biogenic COc1cc(C(=O)N[C@H](C)C(=O)N[C@H](C)c2cc(C)sc2C)cc(OC)c1OC 40074221 CDGRZRZXKZVESJ-CHWSQXEVSA-N 420.531 3.386 0 40 HGAB O=C(Nc1cc2c(cc1Br)OCCO2)N1CCN(Cc2ccco2)CC1 40103724 SZNLZUKCLOCVJU-UHFFFAOYSA-N 422.279 3.163 0 40 HGAB Cc1ccc(-c2nc(C)c(C(=O)NCCCN3C(=O)NC4(CCCC4)C3=O)s2)o1 31263403 RBZBRUSLLPBMDP-UHFFFAOYSA-N 416.503 3.004 0 40 HGAB CC(C)CCn1c(=O)c(C(=O)NCc2ccc3c(c2)OCO3)c(O)c2ccccc21 100697738 MRMCMHRDXQOQEK-UHFFFAOYSA-N 408.454 3.412 0 40 HGAB COc1ccc(-c2csc3c2c(=O)n(C)c(=O)n3CC(=O)c2ccccc2)cc1 32096312 GWKSRYKYCLURIN-UHFFFAOYSA-N 406.463 3.320 0 40 HGAB O=C(c1ccc(F)cc1)[C@@H]1[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]2[C@@H]2CCCN21 101388594 BEYFEKWVVRAIPI-MANSERQUSA-N 412.848 3.314 0 40 HGAB COc1ccc(C2=NN(C(=O)CCC(=O)O)[C@H](c3ccccc3OC)C2)cc1OC 890335 YWGDYGFXVUVWIQ-KRWDZBQOSA-N 412.442 3.255 0 40 HGAB COc1ccc(CNC(=O)CN(C(=O)c2csnn2)c2ccc(C)cc2C)cc1 1346502 QDWBFROHIPFHOL-UHFFFAOYSA-N 410.499 3.127 0 40 HGAB O=C(NC(=S)Nc1c(Cl)ccc2nsnc12)c1ccc2c(c1)OCCO2 2219005 IFRRDZMECXBCPH-UHFFFAOYSA-N 406.876 3.243 0 40 HGAB Cc1ccc(-c2csc(NC(=O)COC(=O)c3ccccc3NCCO)n2)cc1 5278107 LUMZWBCGGRDBKM-UHFFFAOYSA-N 411.483 3.318 0 40 HGAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COc1cccc2ccccc12 6010675 YMLFLIGYJAURCQ-UHFFFAOYSA-N 414.483 3.116 0 40 HGAB Cc1cnc(C(=O)OCC(=O)Nc2cc(-c3ccccc3)nn2-c2ccccc2)cn1 7984230 QWBHLAADALIJMT-UHFFFAOYSA-N 413.437 3.433 0 40 HGAB COc1ccc(NC(=O)COc2ccc(C(=S)N3C[C@H](C)O[C@@H](C)C3)cc2)cc1 8271042 BENWODMAFIGJOW-HOTGVXAUSA-N 414.527 3.497 0 40 HGAB O=C(CCC(=O)OCC(=O)Nc1ccccc1)Nc1ccc(Br)cc1 8416296 VWNYSDIQZNYTDP-UHFFFAOYSA-N 405.248 3.350 0 40 HGAB CCNC(=O)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1Br 8720995 MFGRRAJGUKTFGU-OQLLNIDSSA-N 417.259 3.085 0 40 HGAB CC(=O)n1cc(/C=c2\sc3nc4c(C)cccc4n3c2=O)c(-c2ccc(F)cc2)n1 8846332 VDZQNQOJRQFARB-ZDLGFXPLSA-N 418.453 3.428 0 40 HGAB O=C(NCC1(c2ccccc2)CC1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 8988628 TTXURGICJSGFDY-UHFFFAOYSA-N 416.518 3.074 0 40 HGAB Cc1nc2ccc(NC(=O)CN3C(=O)N[C@@]4(CCCc5ccccc54)C3=O)cc2s1 9254078 BMMBNZBVIVRPHM-JOCHJYFZSA-N 420.494 3.327 0 40 HGAB Cc1ccc(-n2nc3c(c2NC(=O)c2cc4ccccc4oc2=O)C[S@](=O)C3)cc1 9413866 FNZFDWJXOXYCHW-SSEXGKCCSA-N 419.462 3.302 0 40 HGAB CC(C)[C@@H](NC(=O)Cn1ncc(=O)c2ccccc21)c1ccc2c(c1)OCCCO2 9446567 FWFVPZFSIHFFIE-HSZRJFAPSA-N 407.470 3.071 0 40 HGAB CCc1ccc(-c2noc(CSc3nnc(Cc4ccc(OC)cc4)n3N)n2)cc1 9494978 NEYKLUUWMXXACM-UHFFFAOYSA-N 422.514 3.496 0 40 HGAB CCOc1ccc([C@@H]2CC(c3ccccc3NS(C)(=O)=O)=NN2C(C)=O)cc1 9517131 SVHPACCMGGNMOD-FQEVSTJZSA-N 401.488 3.154 0 40 HGAB CCc1nnc(NC(=O)CSc2ccc(-c3ccc(-n4cccn4)cc3)nn2)s1 9738812 CRPPGBXLFRMIBI-UHFFFAOYSA-N 423.527 3.474 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(F)cc3)C2)cc1C 9974523 CLDJCLASGFSOAI-OAHLLOKOSA-N 406.479 3.182 0 40 HGAB Cc1cc(NC(=O)c2ccccc2Br)nc2nc(C(F)(F)F)nn12 10765049 MSBKPIZYSQNSBE-UHFFFAOYSA-N 400.158 3.466 0 40 HGAB COc1ccc(-c2cc(COC(=O)[C@H]3CC(=O)N(CCc4ccccc4)C3)on2)cc1 11392985 XNDXMQUYQYVKIX-IBGZPJMESA-N 420.465 3.485 0 40 HGAB CCOC(=O)C1(C[C@H]2CC(c3ccc(F)cc3)=NO2)CCN(C[C@@H]2CCOC2)CC1 12156687 BDJJGWUCPMHXPT-FXAWDEMLSA-N 418.509 3.391 0 40 HGAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)/C=C/c1cccc2cccnc12 12790731 WGUIYVVDRWMUEU-FMIVXFBMSA-N 411.483 3.146 0 40 HGAB C[C@@H](NC(=O)c1nn(-c2ccccc2)c2c1CCC2)c1ccc(S(C)(=O)=O)cc1 12815476 SRBHNXYTLZZIDK-OAHLLOKOSA-N 409.511 3.256 0 40 HGAB O=C(Nc1ccccc1F)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 12899145 DNWKPYKYVFNLAI-UHFFFAOYSA-N 402.491 3.354 0 40 HGAB COc1ccc([C@H](C)NC(=O)[C@H]2CC(=O)N(c3ccc(OC)c(OC)c3)C2)cc1F 12935631 RQKRMDNHAZZXPL-ZFWWWQNUSA-N 416.449 3.082 0 40 HGAB COc1c(O)cc2oc(-c3ccc(O)c(CC[C@H](C)CO)c3)c(OC)c(=O)c2c1O 14648349 VLVYYPSDJMDDBM-NSHDSACASA-N 416.426 3.155 0 40 HGAB biogenic O=C(c1ccccc1)c1ccc(C(=O)N2CCN(C(=O)N3CCCCC3)CC2)cc1 14900315 VHEWFONKDDYMDK-UHFFFAOYSA-N 405.498 3.281 0 40 HGAB COc1ccc(-n2c(S)nnc2-c2cc(OC)c(OC)c(OC)c2)cc1OC 15106132 PWCCZHPMTZULDH-UHFFFAOYSA-N 403.460 3.266 0 40 HGAB COCCn1c(SCC(=O)N(C)c2ccccc2)nc2c([nH]c3ccccc32)c1=O 16915409 IBBZOLWGFYHTDL-UHFFFAOYSA-N 422.510 3.279 0 40 HGAB COc1cc(NC(=S)NC(=O)c2ccc3c(c2)OCCO3)c(OC)cc1Cl 17088123 FVIXNVWPWLFCCF-UHFFFAOYSA-N 408.863 3.255 0 40 HGAB NC(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)CCCN(C(=O)c2cccnc2)C1 19331431 XRUXTWSHSKZGKN-DEOSSOPVSA-N 400.482 3.094 0 40 HGAB CC(=O)c1ccc(S(=O)(=O)N2CCN(CCSc3ccc(F)cc3)CC2)cc1 19358584 YFFHJCPUGHXPQN-UHFFFAOYSA-N 422.547 3.127 0 40 HGAB CC[C@H](C)C(=O)N1CC[C@H](c2nc(O)c3c(n2)CCN(Cc2ccccc2OC)C3)C1 19499785 OQATWKUFUVPNCU-WMZOPIPTSA-N 424.545 3.111 0 40 HGAB CCn1cc(S(=O)(=O)N2CCC[C@@H]2c2ccnc3cc(C(C)(C)C)nn23)c(C)n1 19524637 VASSIMXYBPJELI-OAHLLOKOSA-N 416.551 3.077 0 40 HGAB CCOc1cc(CN2C[C@@H]3C[C@@H](O)CN3C[C@@H]2Cc2ccccc2)c(C)cc1OC 19531805 AUKYBJOSLUSAQX-RJGXRXQPSA-N 410.558 3.264 0 40 HGAB COC1CCC(C(=O)N2CCC[C@H]([C@@H]3C[C@H](C(F)(F)F)n4ncnc4N3)C2)CC1 19592564 BEVXWPUNNKPVOM-YLZDHBLKSA-N 415.460 3.010 0 40 HGAB CCN(CC)C(=O)c1cnc([C@H]2CCN(C(=O)CCc3ccc(F)cc3)C2)nc1C 19753844 CQCVGLAKIFLHRS-SFHVURJKSA-N 412.509 3.355 0 40 HGAB Cc1nc(CC2CCN(CC(=O)NCc3ccccn3)CC2)cc(NC2CCCC2)n1 19758393 VFJJQAHTANESLI-UHFFFAOYSA-N 422.577 3.105 0 40 HGAB O=C(Nc1cccc(-n2cnnn2)c1)c1nc(-c2ccccc2)n(-c2ccccc2)n1 21352550 DIMCZNGMQOICCD-UHFFFAOYSA-N 408.425 3.162 0 40 HGAB CCc1nc2sc([C@H](c3ccccc3F)N3CCC4(CC3)OCCO4)c(O)n2n1 22854066 LEZDCEBGKDOQIH-INIZCTEOSA-N 418.494 3.126 0 40 HGAB O=C(Nc1ccc(N2CCCS2(=O)=O)cc1)c1ccc(CN2CCCCC2)cc1 22883381 QRRMIVPNQNDJJM-UHFFFAOYSA-N 413.543 3.465 0 40 HGAB COc1ccccc1NC(=O)N1CCNC(=O)[C@@H]1c1c(C)nn(-c2ccccc2)c1C 24365406 ZWRSDFVUHVQWMH-NRFANRHFSA-N 419.485 3.203 0 40 HGAB C[C@@H](C(=O)Nc1ccc(NC(=O)c2cc(-c3ccccc3)on2)cc1)n1cncn1 24584190 VAYPWRYJBIUNEM-AWEZNQCLSA-N 402.414 3.385 0 40 HGAB COc1cc(CN(C)S(=O)(=O)N2CCCCC2)ccc1OCc1ccccc1 24767212 APMCNOXCQXCQAB-UHFFFAOYSA-N 404.532 3.437 0 40 HGAB COc1ccc([C@@H](CNC(=O)Cc2c(F)cccc2Cl)N2CCOCC2)cc1 25765106 PDENENSNWKJTAF-HXUWFJFHSA-N 406.885 3.220 0 40 HGAB Cc1nc(-c2ccccn2)sc1C(=O)NCCN1CCN(C)C[C@@H]1c1ccccc1 26154145 QQXLUWPQQHABGD-HXUWFJFHSA-N 421.570 3.232 0 40 HGAB COc1cc(-c2c3c(nc4cc5c(cc24)OCCO5)COC3=O)cc(OC)c1OC 26851688 YNVNSBMRVDOORN-UHFFFAOYSA-N 409.394 3.369 0 40 HGAB O=C(CSc1nc(Cc2ccc(Cl)cc2)[nH]c(=O)n1)Nc1ccccc1F 27643397 AWHFPHLGBPCLFU-UHFFFAOYSA-N 404.854 3.279 0 40 HGAB O=C(/C=C/c1ccc(Br)o1)NC[C@@H](c1cccs1)N1CCOCC1 29840912 WIMRYHGGQAIFKF-YVZNUBBCSA-N 411.321 3.307 0 40 HGAB COc1ccc([C@@H](CNC(=O)NCc2ccc(NC(=O)C(C)C)cc2)N(C)C)cc1 30987176 VBSIEPMACPNTSG-OAQYLSRUSA-N 412.534 3.392 0 40 HGAB COc1ccc(Cn2ccc3nc4ncnn4c(-c4ccc(OC)cc4)c3c2=O)cc1 32103394 ILUSGDPSRINHPF-UHFFFAOYSA-N 413.437 3.172 0 40 HGAB COC(=O)Cc1ccc(OCC(=O)Nc2ccccc2C(=O)NC2CCCC2)cc1 32667964 QUPQETFTDFBGDM-UHFFFAOYSA-N 410.470 3.092 0 40 HGAB COc1ccc(N[C@@H](C)c2nnc(-c3ccccc3)o2)cc1S(=O)(=O)N(C)C 32814614 XKSFCBPAAMJVRK-ZDUSSCGKSA-N 402.476 3.169 0 40 HGAB COc1ccc(-c2nn(CN3C[C@H](C)O[C@@H](C)C3)c(=S)n2C[C@H]2CCCO2)cc1 33406505 GDHNBGQRAPLEDW-TXPKVOOTSA-N 418.563 3.335 0 40 HGAB C[C@@H]1CCCN(c2nnc(S[C@H](C(N)=O)c3ccccc3)n2Cc2ccco2)C1 34872085 RDKBTNCGZXYGAZ-QAPCUYQASA-N 411.531 3.474 0 40 HGAB CCc1cccc2c(C3=CCN(S(=O)(=O)N4C[C@@H](C)O[C@H](C)C4)CC3)c[nH]c12 35264467 HOXFHMDZUQRRQX-HZPDHXFCSA-N 403.548 3.173 0 40 HGAB COc1ccc2cc([C@@H]3c4cc(OC)c(OC)cc4CCN3C(C)=O)c(=O)[nH]c2c1 35313744 PTYZQDMSZNTHER-QFIPXVFZSA-N 408.454 3.048 0 40 HGAB CN(Cc1ccccc1)C(=O)COC(=O)c1nc(Cl)c(Cl)c(N)c1Cl 35380650 WYVRVRININVMBW-UHFFFAOYSA-N 402.665 3.439 0 40 HGAB COCCNc1ncccc1-c1noc([C@@H]2CCCN2Cc2ccc3c(c2)OCO3)n1 35424900 QFFZEOCDMXWGJL-KRWDZBQOSA-N 423.473 3.256 0 40 HGAB biogenic,in-vitro COc1ccc([C@H]2[C@@H](C(=O)Nc3nnc(C)s3)c3ccccc3C(=O)N2C)cc1 36352610 OLNYFBWQNDSHJB-ROUUACIJSA-N 408.483 3.404 0 40 HGAB CC[C@@H](CCNS(=O)(=O)c1cn(CC)nc1C)n1nc(C(F)(F)F)cc1C 36614918 YCHYGBZQMAPFNJ-ZDUSSCGKSA-N 407.462 3.055 0 40 HGAB Cc1cc(C)n(-c2ccc(NC(=O)c3ccc(N4C[C@@H](C)O[C@H](C)C4)nc3)cn2)n1 40088976 UADYTVUOJOADLY-IAGOWNOFSA-N 406.490 3.145 0 40 HGAB CN(C(=O)Cn1c(=O)n(CCc2ccccc2)c(=O)c2ccccc21)C1CCCCC1 44839554 XEFIJMCUOULOHV-UHFFFAOYSA-N 419.525 3.197 0 40 HGAB COC(=O)c1ccc(CS(=O)(=O)Nc2ccc(Br)cc2F)cc1 44884605 MEZLDFAAARVDET-UHFFFAOYSA-N 402.241 3.317 0 40 HGAB Cc1ccc(-c2ccc3nn(CC(=O)Nc4cccc(Cl)c4)c(=O)n3n2)cc1C 49399283 MPDYGDWBJKRAEK-UHFFFAOYSA-N 407.861 3.467 0 40 HGAB Cc1ccc(-n2cc(C(=O)N3CCC(NC(=O)c4ccc(C)c(C)c4)CC3)nn2)cc1 49405992 WLBSACGTLDHTDW-UHFFFAOYSA-N 417.513 3.227 0 40 HGAB O=C(CNC(=O)N1CCN(c2ccc(Cl)cc2)CC1)Nc1ccc2[nH]ccc2c1 49549391 ATXJYRLDRPAQKV-UHFFFAOYSA-N 411.893 3.292 0 40 HGAB Cc1cccc(NS(=O)(=O)c2cccc(C(=O)N3CCO[C@@H]4CCC[C@H]43)c2)c1 56193075 OZHCVUYSFUJHMI-WOJBJXKFSA-N 400.500 3.189 0 40 HGAB Cc1cc(=O)n(CC(=O)Nc2ccccc2Cl)c(N2CCc3ccccc3C2)n1 57506442 DKYFFTUIAKQTCP-UHFFFAOYSA-N 408.889 3.407 0 40 HGAB CCOc1ccc(N2C(=O)c3ccc(C(=O)N[C@@H](C)c4nc(C)no4)cc3C2=O)cc1 58138600 UVYMZVGIAJBVSA-LBPRGKRZSA-N 420.425 3.068 0 40 HGAB Cc1n[nH]c2ncc(C(=O)Nc3cccc(NS(=O)(=O)c4ccccc4)c3)cc12 58256199 ZZBFVIYKTQOQBC-UHFFFAOYSA-N 407.455 3.319 0 40 HGAB Cc1cc(C)n(-c2cccc(CN3CCc4c([nH]c(-c5ccncc5)nc4=O)C3)c2)n1 72336840 UEJTXZCPRGSSOT-UHFFFAOYSA-N 412.497 3.193 0 40 HGAB COc1ccc(CN2CCC[C@H](c3cc(=O)[nH]c(-c4cccnc4)n3)C2)c(OC)c1 72393064 RNCVQUROAWIFBQ-KRWDZBQOSA-N 406.486 3.229 0 40 HGAB Cc1cc2ncn(C[C@H](NC(=O)CCS(=O)(=O)C3CCCC3)C3CC3)c2cc1C 79045642 SLVRODPLSNIXCJ-FQEVSTJZSA-N 417.575 3.295 0 40 HGAB CCC[C@H]1CN(CC(=O)N(C(C)C)C(C)C)CCN1CC(=O)N(C(C)C)C(C)C 84740840 JOTZXNFHNLYHPD-NRFANRHFSA-N 410.647 3.064 0 40 HGAB CCOc1ccc(C(=O)NCC(=O)N[C@H](C)Cc2cc(C)nn2-c2ccccc2)cc1 89991077 RUTDFVGWTPOFJY-QGZVFWFLSA-N 420.513 3.057 0 40 HGAB COc1ccc(CN2CC[C@@]3(CCN(S(=O)(=O)Cc4ccccc4)C3)C2)cc1F 96203123 JQKYKOYPLJFBCR-JOCHJYFZSA-N 418.534 3.262 0 40 HGAB COc1ccc(NC(=O)C2=NO[C@]3(CCCN(C(=O)c4cc(C)oc4C)C3)C2)cc1 96225157 CZGFXLUQNKHNSF-JOCHJYFZSA-N 411.458 3.295 0 40 HGAB COC(=O)c1ccc(C)c(NC(=O)N(C)[C@@H]2CS(=O)(=O)c3ccc(Cl)cc32)c1 97020593 XWAUITGEWSKOPU-MRXNPFEDSA-N 422.890 3.427 0 40 HGAB C[C@@H](NC(=O)Cc1c[nH]c2ccccc12)c1cc(O)n2nc(C3CCOCC3)cc2n1 100769383 ASPPCKGAXUQFCZ-CQSZACIVSA-N 419.485 3.230 0 40 HGAB CC(C)Cc1nc(NC(=O)[C@H]2CC[C@H](Cn3cnc4ccccc4c3=O)CC2)n[nH]1 101370393 UKNKUHVZFSFMIZ-IYBDPMFKSA-N 408.506 3.158 0 40 HGAB CCOC(=O)[C@@]1(CN)[C@H](c2ccc(CC)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 218565253 FCGSADDHOIRCQG-URVUXULASA-N 401.528 3.005 0 40 HGAB COc1ccc(OC)c(N([C@H](C)C(=O)Nc2ccc(C)c(C)c2)S(C)(=O)=O)c1 220206255 YDNFRIHZOCHPEE-OAHLLOKOSA-N 406.504 3.114 0 40 HGAB Cc1ccc(N([C@H](C)C(=O)NCCN(C)c2ccccc2)S(C)(=O)=O)cc1Cl 220370208 PDHFYHCODITZLP-MRXNPFEDSA-N 423.966 3.056 0 40 HGAB COC(=O)c1cn(C(=O)[C@@H](C)N(c2ccc(C)cc2)S(C)(=O)=O)c2ccccc12 222591552 JWRQPZZIECVAHR-OAHLLOKOSA-N 414.483 3.231 0 40 HGAB Cc1cc(Cl)ccc1NC(=O)COc1ccc(S(=O)(=O)NC2CC2)cc1C 223053702 NCQOWNZJSATDHP-UHFFFAOYSA-N 408.907 3.415 0 40 HGAB CCC(=O)N1CCc2cc(S(=O)(=O)N[C@@H](C)COc3ccccc3C)ccc21 223662021 WIQDOUARZDBCAO-INIZCTEOSA-N 402.516 3.040 0 40 HGAB CS(=O)(=O)N(CC(=O)Nc1ccc(Cc2ccncc2)cc1)c1ccccc1F 223667230 IFBSZQYJUMXMNK-UHFFFAOYSA-N 413.474 3.216 0 40 HGAB CN(c1ccc(C(=O)NCCOc2ccccc2C(C)(C)C)cc1)S(C)(=O)=O 223686513 AJGNFVYDNIUKKN-UHFFFAOYSA-N 404.532 3.189 0 40 HGAB O=S(=O)(Cc1cccc(Cl)c1)NCC1CCN(C2CCSCC2)CC1 245039089 OESLZKVUBMGCID-UHFFFAOYSA-N 403.013 3.367 0 40 HGAB COCCN1CC[C@@]2(CN(Cc3ccccc3F)C[C@@H]2c2cn(C(C)C)cn2)C1=O 306125427 CQOCNVNBAKUORS-XXBNENTESA-N 414.525 3.068 0 40 HGAB Cc1ncsc1C(=O)N[C@H]1CCCC[C@@]12CN(Cc1ccc(O)c(F)c1)CCO2 306142695 XGPAYDPXDQCLND-GHTZIAJQSA-N 419.522 3.240 0 40 HGAB CCOC(=O)c1ccc(NC(=O)[C@@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)cc1 408560244 XYOJCIDZNIDLPJ-CYBMUJFWSA-N 424.906 3.310 0 40 HGAB CCOC(=O)Cn1cc(/C=C2\SC(=O)NC2=O)c2cc(Br)ccc21 409141999 KRPBBLUHSQFRKB-ACAGNQJTSA-N 409.261 3.291 0 40 HGAB O=C(O)CCC/C=C/C[C]1[C@@H](O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)COc1cccc(Cl)c1 1560411768 ZAHISWMZSBOKRT-SMKQHGFZSA-N 423.913 3.153 0 40 HGAB COc1ccc(Cl)cc1NC(=O)Cn1nnc2sc3c(c2c1=O)CC[C@H](C)C3 958499 OYLFSPYFTICAGH-JTQLQIEISA-N 418.906 3.279 0 40 HGAB CCOc1ccc([C@@H]2C(C(=O)OCCOC)=C(C)N=C3S[C@H](CC)C(=O)N32)cc1 2487370 UJTKJIPUZHKVAK-SJLPKXTDSA-N 418.515 3.314 0 40 HGAB O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1cnc(Cl)c(Cl)c1 2620531 NTJZNEDQLLHJDV-UHFFFAOYSA-N 424.269 3.232 0 40 HGAB O=C(CNC(=O)c1ccc(Cl)cc1)OCCOc1cccc(Br)c1 3375126 VNLZNXTVJPOFIK-UHFFFAOYSA-N 412.667 3.455 0 40 HGAB O=C(NC1CCCC1)[C@H](c1cccnc1)N(Cc1ccccc1)C(=O)c1csnn1 4858787 ZDZDNGCSGXGZMZ-FQEVSTJZSA-N 421.526 3.376 0 40 HGAB O=C(Cn1nc(-c2ccc3c(c2)OCCO3)ccc1=O)Nc1cccc2c1CCCC2 4968187 UMURWUINVAUXNZ-UHFFFAOYSA-N 417.465 3.199 0 40 HGAB COc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCCN(C)C)[C@@H]3c1ccccc1OC 5347729 BEZTYGHJXAEXDE-OAQYLSRUSA-N 422.481 3.307 0 40 HGAB Cc1ccc(-n2nnnc2SCc2nc3sc4c(c3c(=O)[nH]2)CCC4)c(C)c1 6565309 RIARHWZWMYAZON-UHFFFAOYSA-N 410.528 3.358 0 40 HGAB CN1CCN(c2ccc(Cl)cc2NC(=O)Cc2ccc3c(c2)OCCO3)CC1 6582965 YARHGQRDCBMYTG-UHFFFAOYSA-N 401.894 3.044 0 40 HGAB CCCn1c(SCC(=O)c2cc(C)n(C)c2C)nc2cc(S(N)(=O)=O)ccc21 6979135 VYSCAIMZXIQRBF-UHFFFAOYSA-N 420.560 3.024 0 40 HGAB NC(=O)C1CCN(Cc2nc3scc(-c4ccccc4Cl)c3c(=O)[nH]2)CC1 7003547 XOYZXOUOMLVZJO-UHFFFAOYSA-N 402.907 3.002 0 40 HGAB COc1ccc(C(=O)COC(=O)C2CCN(C(=O)c3cccs3)CC2)cc1F 7595122 WNVRZEVPIQXMIR-UHFFFAOYSA-N 405.447 3.174 0 40 HGAB C[C@@H](C(=O)NCc1ccccc1Cl)N(c1cccc(Cl)c1)S(C)(=O)=O 7872133 IWTPZCCLPOWBDC-LBPRGKRZSA-N 401.315 3.464 0 40 HGAB O=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)[C@H]1COc2ccccc2C1 8113472 WDLIFSHWBBWIBH-QGZVFWFLSA-N 400.500 3.051 0 40 HGAB O=C(NCc1ccc2c(c1)OCO2)c1cccc(NS(=O)(=O)c2ccccc2)c1 8181156 KFRUJTJOWYBQDW-UHFFFAOYSA-N 410.451 3.146 0 40 HGAB O=C(CN1CCC[C@H]1c1ccc2c(c1)OCCCO2)NC(=O)NC1CCCCC1 8310455 IGUSXKUKOYDCFT-SFHVURJKSA-N 401.507 3.143 0 40 HGAB Cc1ccc(C)n1NC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)cc1 8475600 XYWCMPIQIRRSEU-SFHVURJKSA-N 420.469 3.069 0 40 HGAB O=C(Nc1nc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cs1)c1ccccc1 8806792 ZJSJFIIAHXUMIC-UHFFFAOYSA-N 410.474 3.497 0 40 HGAB CC[C@]1(C)NC(=O)N(CC(=O)N2CCc3sccc3[C@H]2c2cccs2)C1=O 8855727 UNYKSRODAGQPBZ-LPHOPBHVSA-N 403.529 3.004 0 40 HGAB COc1cccc(-c2noc(CN3C(=O)N[C@]4(CCCc5sccc54)C3=O)n2)c1 9683145 OCSBDOULCOYBPW-FQEVSTJZSA-N 410.455 3.090 0 40 HGAB Cc1ccnn1-c1ccc(C(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)cc1 9723993 XADHMOSLOSILFR-UHFFFAOYSA-N 401.470 3.301 0 40 HGAB C[C@H](Sc1nnc(-c2ccccc2)c(-c2ccccc2)n1)C(=O)N1CCNC1=O 9868764 KPQYHHHCWYINDI-AWEZNQCLSA-N 405.483 3.238 0 40 HGAB CCCSc1nnc(NC(=O)CSc2nnnn2-c2ccccc2C)s1 10382221 NYODXTOICAAOJV-UHFFFAOYSA-N 407.550 3.055 0 40 HGAB Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(Cc3ccncc3)cc2)cc1 11557859 QWROQFZEYZTAND-UHFFFAOYSA-N 409.511 3.240 0 40 HGAB COc1ccc2[nH]c(C)c(CN3CCc4c(nc(-c5ccccn5)[nH]c4=O)C3)c2c1 12120750 DPPPGOCGVDLCAA-UHFFFAOYSA-N 401.470 3.189 0 40 HGAB CC(C)n1c(=O)oc2cc(S(=O)(=O)N3CCCC[C@@H]3CN3CCCCC3)ccc21 12220619 FKBXPEYNLYAUGW-QGZVFWFLSA-N 421.563 3.205 0 40 HGAB Cn1cc(S(=O)(=O)N2CCCC2)cc1C(=O)Nc1ccc(N2CCCCC2)cc1 12553751 QGODBFKCQADWBN-UHFFFAOYSA-N 416.547 3.052 0 40 HGAB COc1ccc(C(=O)NCC(=O)Nc2ccc(N3CCC(C)CC3)cc2)cc1OC 12564948 MXKIGOXGHJZAGQ-UHFFFAOYSA-N 411.502 3.309 0 40 HGAB CC(C)CCC[C@H](C)NC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c1 12755068 MUYIHJHDVDZVBS-OKZBNKHCSA-N 410.580 3.429 0 40 HGAB CC(C)n1ncc2c(C(=O)NC3=NCCS3)cc(-c3ccc4c(c3)OCCO4)nc21 12776297 RIITVFCLXCEAPR-UHFFFAOYSA-N 423.498 3.283 0 40 HGAB Cc1c(CC(=O)N[C@H](CO)CC(C)C)c(=O)oc2cc3c(cc12)CCC(C)(C)O3 12893713 YPCIMPCVWMUPDF-INIZCTEOSA-N 401.503 3.271 0 40 HGAB biogenic Cc1cc(C)c2nc(N(CCN3CCOCC3)C(=O)c3cc(C)no3)sc2c1 13595949 DUBCXAFWFBMWNV-UHFFFAOYSA-N 400.504 3.189 0 40 HGAB CC[C@@H](C(=O)NCc1ccccc1OC)N(c1ccc(C)c(C)c1)S(C)(=O)=O 13716294 FJJLGVBNBSGBAT-IBGZPJMESA-N 404.532 3.173 0 40 HGAB C[C@H](Oc1ccc(F)cc1)C(=O)N1CC[C@@H](c2cc(O)nc(-c3ccccn3)n2)C1 19077620 PQQNKYRHBYOVDM-LSDHHAIUSA-N 408.433 3.167 0 40 HGAB CCOc1ccc(CN2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)CC2)cc1 19723134 VVWHCQWRJDFRAI-UHFFFAOYSA-N 414.502 3.069 0 40 HGAB COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)C[C@H]1C(=O)Nc1ccc(C(C)=O)cc1 19819140 VBVMJIUIVQCXME-LJQANCHMSA-N 424.428 3.467 0 40 HGAB CCN(CC(=O)Nc1cccc(SC)c1)S(=O)(=O)c1ccc(OC)c(C)c1 19929778 YJTGFFDYDZXWMF-UHFFFAOYSA-N 408.545 3.375 0 40 HGAB COc1ccc([C@H](CC(=O)N2CCCCC2)N(C)S(=O)(=O)c2ccccc2)cc1 19936139 SDRCRBZXEARARP-NRFANRHFSA-N 416.543 3.460 0 40 HGAB CCOc1ccccc1CNC(=O)[C@H](CC)N(c1ccc(F)cc1)S(C)(=O)=O 20050437 STTJXENKXUAXLI-SFHVURJKSA-N 408.495 3.085 0 40 HGAB COc1ccccc1CN1CCN([C@@H](c2nnnn2Cc2ccccc2)C(C)C)CC1 20140892 ZJYOKHPQXBLZMY-HSZRJFAPSA-N 420.561 3.245 0 40 HGAB CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1cc(C(=O)OC)cc(C(=O)OC)c1 20492027 WJRSCOPBOYBAQJ-GOSISDBHSA-N 401.415 3.065 0 40 HGAB CC(C)c1ccc(S(=O)(=O)NC[C@@H](c2ccsc2)N2CCN(C)CC2)cc1 20953444 WVSHHDUMQMBONV-FQEVSTJZSA-N 407.605 3.139 0 40 HGAB CCOC(=O)Cc1csc(NC(=O)Cn2c(CSC)nc3ccccc32)n1 21530349 KQXOIDLVGCZYGE-UHFFFAOYSA-N 404.517 3.100 0 40 HGAB O=S1(=O)CC[C@H](Cc2nnc(SCc3cccc(Br)c3)o2)C1 22012011 LRZJIHARMZAPFJ-LLVKDONJSA-N 403.323 3.102 0 40 HGAB CCCN1CCCc2cc(CCNS(=O)(=O)c3cc(OC)ccc3OC)ccc21 22735345 JMAJQEBDKBVECU-UHFFFAOYSA-N 418.559 3.387 0 40 HGAB COc1ccccc1NC(=O)C(=O)NC[C@H](c1ccco1)N1CCc2ccccc2C1 22907474 ULLUJINBJZTIFW-HXUWFJFHSA-N 419.481 3.143 0 40 HGAB C/C=C/c1ccc(OC[C@@H](O)CN2CCN(c3ccccc3OC)CC2)c(OC)c1 23115565 GFJKXMLUPKKHHD-PDGUBNMISA-N 412.530 3.299 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC(C(=O)NC3CCCCCCC3)CC2)cc1 23640797 JSIIXJHDFVCEFE-UHFFFAOYSA-N 408.564 3.325 0 40 HGAB COc1ccccc1[C@H](Nc1ccc2nnc(C(F)(F)F)n2n1)c1nccn1C 24893868 SUJXMLADSHUEPP-HNNXBMFYSA-N 403.368 3.087 0 40 HGAB COc1ccc(-c2cc(NC(=O)[C@H]3CCCCN3S(C)(=O)=O)ccc2OC)cc1 25766870 GSOKKBDVALELQR-LJQANCHMSA-N 418.515 3.123 0 40 HGAB CCCCc1noc([C@@H](C)Sc2nc3cc(S(N)(=O)=O)ccc3n2CC)n1 31738429 OIECQFWHIOIMHV-LLVKDONJSA-N 409.537 3.283 0 40 HGAB C[C@H]1Cc2cc(C(=O)Nc3cc4c(cc3Cl)OCCO4)ccc2N1S(C)(=O)=O 32848211 INYGKIYGCITMHS-NSHDSACASA-N 422.890 3.074 0 40 HGAB C[C@@H]1CCCN(Cc2ccc(CNC(=O)Cn3cccc(C(F)(F)F)c3=O)cc2)C1 36390720 RBHHMAKSCQBDPW-MRXNPFEDSA-N 421.463 3.415 0 40 HGAB COc1cccc(-c2cc(C(=O)NCCn3nc(C)cc3C)c3c(C)nn(C)c3n2)c1 36616339 ZADXJTCNEQYIDL-UHFFFAOYSA-N 418.501 3.196 0 40 HGAB CCN(CC(=O)NC(C)C)C(=O)CN1CCc2sccc2[C@@H]1c1cccs1 37203377 NLOWXXCCGLAQHK-HXUWFJFHSA-N 405.589 3.130 0 40 HGAB O=C(/C=C/c1ccc2c(c1)OCO2)N1CCN(C(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)CC1 38946912 LTXOBPSGGMWUSG-UPMLABSHSA-N 422.456 3.042 0 40 HGAB O=C(CN1CCN(C(=O)Nc2ccc(Oc3ccccc3)cc2)CC1)N1CCCC1 40096483 VVAZCWBARKBRNS-UHFFFAOYSA-N 408.502 3.251 0 40 HGAB CCCNC(=O)c1ccc2c(c1)ncc(=O)n2CC(=O)Nc1c(C)cc(C)cc1C 49007991 AWPXNYXKVOQBGJ-UHFFFAOYSA-N 406.486 3.100 0 40 HGAB COc1ccc(NC(=O)Cn2cc(-c3ccc(OC)cc3)c(N3CCOCC3)n2)cc1 62006913 STYLQTVWXWAHFN-UHFFFAOYSA-N 422.485 3.043 0 40 HGAB COc1ccccc1OCCNC[C@H](O)COc1cccc2[nH]c3c(c12)CCCC3 65748809 DEZWFYYHJOWXBH-KRWDZBQOSA-N 410.514 3.464 0 40 HGAB in-vitro O=C(NCC1CCN(c2nc3ccccc3o2)CC1)C(=O)Nc1ccccc1Cl 70900911 UPIJDKILIPXBCR-UHFFFAOYSA-N 412.877 3.453 0 40 HGAB CCn1ccc(C(=O)N2CCC[C@@H](c3n[nH]cc3C(=O)N(C)C3CCCCC3)C2)n1 72344778 IFXNDIJWAQOKLW-MRXNPFEDSA-N 412.538 3.051 0 40 HGAB Cc1noc(C)c1S(=O)(=O)N1CCC[C@H]1c1ccc(Nc2ccc(F)cn2)cn1 72353179 PSIGJTHBNGCAAO-KRWDZBQOSA-N 417.466 3.490 0 40 HGAB CC(=O)N1CCc2c(nc([C@H]3CCCN(C)C3)nc2NCCc2cccc(C)c2)C1 72373392 HABRQNJFNUTJER-FQEVSTJZSA-N 407.562 3.153 0 40 HGAB CC(C)NC(=O)[C@]1(Cc2ccccc2-c2cncnc2)CCCN(C(=O)[C@@H]2C[C@H]2C)C1 72389001 NLHJBEISMOKLKT-KPCPBYSCSA-N 420.557 3.476 0 40 HGAB COc1ncccc1C(=O)N1CC(c2nc(-c3cccc(C(F)(F)F)c3)no2)C1 77190992 JHSJGXZBASFBRQ-UHFFFAOYSA-N 404.348 3.399 0 40 HGAB CC[C@](C)(NC(=O)c1sc2nc(Cc3ccccc3)nc(N)c2c1C)C(=O)OC 78822531 PKJUNAMAQNWDFK-NRFANRHFSA-N 412.515 3.244 0 40 HGAB Cc1cc(S(=O)(=O)Nc2ccc(Br)cc2O)cc(C(=O)O)c1F 89587178 WQWKMBFKZOHJFJ-UHFFFAOYSA-N 404.213 3.101 0 40 HGAB CC(=O)N1CCC[C@H]1C(=O)NC1(c2noc(CC3CCCC3)n2)CCCCCC1 89930498 SBMXJEJKYDMKSL-SFHVURJKSA-N 402.539 3.479 0 40 HGAB CC(C)(C)c1nc2ccc(NS(=O)(=O)c3ccccc3Cn3cncn3)cc2[nH]1 95466420 VPCXDOWPMKWSFQ-UHFFFAOYSA-N 410.503 3.301 0 40 HGAB CC(C)[C@H](C)NC(=O)c1cnc(-c2noc3cc(N4CCN(C)CC4)ccc23)s1 96154605 HLSQYZIUACHHMN-AWEZNQCLSA-N 413.547 3.477 0 40 HGAB O=c1[nH]c2ccccc2/c(=N\S(=O)(=O)c2ccc(Cl)cc2)n1-c1ccccc1 100398438 HDVDTFPTZKXMKF-FCDQGJHFSA-N 411.870 3.262 0 40 HGAB COc1ccc(CC(=O)N[C@H](C)c2cc(O)n3nc(C4CCOCC4)cc3n2)cc1C 100769420 TWXVPMGPAUKMJZ-OAHLLOKOSA-N 424.501 3.066 0 40 HGAB Cc1ccc(N2C(=O)[C@H]3N=NN(Cc4nc(-c5ccccc5Cl)no4)[C@@H]3C2=O)cc1 101271689 GNRGZWFXBXOTDN-IRXDYDNUSA-N 422.832 3.192 0 40 HGAB O=C(c1cccc2c1OCCO2)N1[C@H]2CC[C@H]1CC(O)(Cc1ccc(F)cc1F)C2 101825236 UAMJLLYQQJBAHU-IRXDYDNUSA-N 415.436 3.477 0 40 HGAB CC[C@H](C(=O)NCc1ccc(OC)cc1)N(c1cc(C)ccc1C)S(C)(=O)=O 220535777 VDGXHEXBZNJUTH-LJQANCHMSA-N 404.532 3.173 0 40 HGAB CCCNS(=O)(=O)c1ccc(OCC(=O)N2c3ccccc3C[C@H]2C)c(C)c1 222789504 VUFKDCQAMZNIJZ-MRXNPFEDSA-N 402.516 3.040 0 40 HGAB CS(=O)(=O)N(CC(=O)NCc1cccc(C(F)(F)F)c1)c1ccc(F)c(F)c1 222968131 ISQMYCTUGQBZLL-UHFFFAOYSA-N 422.375 3.066 0 40 HGAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1Cc1ccco1 223608767 JFKTZQOEEUMSTQ-SFTDATJTSA-N 410.543 3.496 0 40 HGAB Cc1ccc(OCCNC(=O)CN(c2cccc(Cl)c2C)S(C)(=O)=O)c(C)c1 223681737 RFVRJNHFJNZIEF-UHFFFAOYSA-N 424.950 3.226 0 40 HGAB Cc1cccc(OCCNC(=O)CN(c2cccc(Cl)c2C)S(C)(=O)=O)c1C 223911685 RVRQZVXXHVUVNG-UHFFFAOYSA-N 424.950 3.226 0 40 HGAB CCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)COc1ccc(F)cc1 224552722 RCGLUTFPJARBJI-FQEVSTJZSA-N 402.466 3.157 0 40 HGAB CC[C@@H]1CCCCN1CCCNC(=O)CCCN(c1ccccc1C)S(C)(=O)=O 224660414 KOEUNTSXNAIACR-HXUWFJFHSA-N 423.623 3.312 0 40 HGAB COc1ccc(N(CC(=O)O)S(=O)(=O)c2ccc3ccccc3c2)c(OC)c1 225049437 IYEZPMYPLSQTOV-UHFFFAOYSA-N 401.440 3.137 0 40 HGAB CC(C)Oc1cccc(CCCNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c1 225422371 BMNPZAFXZQZFPJ-UHFFFAOYSA-N 404.532 3.087 0 40 HGAB COc1ccc(CNC(=S)Nc2nc(N3CCCC3)cc(N3CCCC3)n2)cc1 225930160 PFUUGFHSJYPHJX-UHFFFAOYSA-N 412.563 3.172 0 40 HGAB O=C(Cc1ccc(F)cc1)N1CCC[C@@]2(CC1)CN(c1ccc(F)cc1)C(=O)CO2 257216860 CWJVPPKBGDQYCP-HSZRJFAPSA-N 414.452 3.322 0 40 HGAB C[C@H]1CCC[C@@H](C)N1CCNC(=O)[C@H]1C[C@H]2CC[C@H]1C[C@@]21NC(=O)c2ccccc2N1 257255908 KJJQGAVGEXSPLV-NBUWTGRQSA-N 424.589 3.354 0 40 HGAB Cc1cccc(C[C@H]2CCCN(C(=O)c3ccccc3OCCN3CCCC3=O)C2)n1 257269132 MOSAFGMAZOPPNT-HXUWFJFHSA-N 421.541 3.486 0 40 HGAB CSc1cccc(NC(=O)COc2ccc(S(=O)(=O)NC(C)C)cc2C)c1 408529776 JIGCBNOIQAQCIV-UHFFFAOYSA-N 408.545 3.421 0 40 HGAB COC(=O)CN1C(=O)N/C(=C/c2cn(Cc3cccc(C)c3)c3ccccc23)C1=O 408549824 ZTMJSCADPCHAGT-YBFXNURJSA-N 403.438 3.064 0 40 HGAB COCCCNC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(Cl)cc1 409113531 GQOJYWDXJJULJX-UHFFFAOYSA-N 424.950 3.305 0 40 HGAB CCOC(=O)COc1ccc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)cc1 409117120 KSSRDGVJDHDZIQ-UHFFFAOYSA-N 417.527 3.272 0 40 HGAB CCn1c(CNC(=O)Cc2ccccc2)nnc1SCC(=O)Nc1ccccc1C 409162706 HDHIGGIVRGYVQH-UHFFFAOYSA-N 423.542 3.196 0 40 HGAB CC(=O)Oc1ccc(C(=O)COC(=O)c2ccccc2I)cc1 409178496 KGQDJJGAQFLFRE-UHFFFAOYSA-N 424.190 3.256 0 40 HGAB C[C@H](Oc1cccnc1)C(=O)Nc1cccc(NC(=O)[C@H](C)Oc2cccnc2)c1 508302874 MAAVHDPMAJHSND-HOTGVXAUSA-N 406.442 3.289 0 40 HGAB O=C(N[C@@H](Cn1ccccc1=O)c1ccccc1)N1CCO[C@@H](Cc2ccccc2)C1 508784673 PVZMHNIGQGJTSD-GOTSBHOMSA-N 417.509 3.243 0 40 HGAB CS(=O)(=O)NCCC(=O)Nc1ccc(Oc2ccc(F)cc2)c2ccncc12 590043682 WUGBIXSCLNSWHV-UHFFFAOYSA-N 403.435 3.044 0 40 HGAB O=C1[C@@H]2CCCN2C(=O)N1CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 2183630 VOKYQDLXICROPY-SFHVURJKSA-N 424.467 3.034 0 40 HGAB CCN1CCc2c(sc(NC(=S)NC(=O)c3ccc(Cl)cc3)c2C(N)=O)C1 2316611 RZTQJFLEXSFDAV-UHFFFAOYSA-N 422.963 3.005 0 40 HGAB COc1ccc(CCNC(=O)COC(=O)c2ccccc2C(=O)c2ccccc2)cc1 3256197 IBCNNKDQJCHLKE-UHFFFAOYSA-N 417.461 3.442 0 40 HGAB CCCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)c2ccc(NC(C)=O)cc2)C1=O 3377100 MPWDSZKLTYWNKQ-QHCPKHFHSA-N 407.470 3.465 0 40 HGAB Cn1c(SCC(=O)NC[C@@H]2CCCO2)nc2scc(-c3ccccc3)c2c1=O 3447597 ZZGWFTOKYUCSMK-AWEZNQCLSA-N 415.540 3.049 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)CN2c3ccccc3C[C@@H]2C)cc1 3536948 AJROJMBOFALFSW-INIZCTEOSA-N 401.532 3.107 0 40 HGAB O=S(=O)(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1ccccc1F 3581504 XGAKGERBULKPOT-UHFFFAOYSA-N 404.385 3.482 0 40 HGAB Cc1cc(OCC(=O)NCCCCCC(=O)O)c2c3c(c(=O)oc2c1)CCCC3 4030012 DDAWHZJKCNHUIC-UHFFFAOYSA-N 401.459 3.120 0 40 HGAB biogenic CCS(=O)(=O)Nc1cccc(C2=NN(C(C)=O)[C@H](c3ccc(OC)cc3)C2)c1 4036297 YLCRAWXHVTVUBL-FQEVSTJZSA-N 401.488 3.154 0 40 HGAB COc1cccc(OC)c1C(=O)Nc1c2c(nn1-c1ccc(C)cc1)C[S@@](=O)C2 4106223 YVGZRIVTAVDEEN-GDLZYMKVSA-N 411.483 3.213 0 40 HGAB COc1ccccc1OCCSc1nnc(CNC(=O)c2cccc(C)c2)n1C 4736050 LFFFXHVZNKDSGD-UHFFFAOYSA-N 412.515 3.233 0 40 HGAB CCCCCn1c(=O)[nH]c2cc(C(=O)Nc3ccc(OC)c(OC)c3)ccc2c1=O 4792037 OPIVQEDEEDQGNN-UHFFFAOYSA-N 411.458 3.150 0 40 HGAB CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)Nc1nncs1 4816383 GXCUJOYIIAIYPZ-UHFFFAOYSA-N 410.912 3.113 0 40 HGAB CCOCCCNC(=S)N1CCC(NC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 4909952 SUXJPDIRXXEQKD-UHFFFAOYSA-N 422.639 3.020 0 40 HGAB CCOc1ccccc1NC(=O)CSc1nnc2ccc(-c3ccncc3)nn12 5168509 JWKXNFXRTOREFK-UHFFFAOYSA-N 406.471 3.316 0 40 HGAB O=c1ccc(-c2cccs2)c2n1C[C@H]1C[C@@H]2CN(S(=O)(=O)c2cccs2)C1 5437669 ISTGEITTYVIANA-UONOGXRCSA-N 418.565 3.446 0 40 HGAB biogenic,in-vitro Cc1ncsc1CCOC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O 5446770 HCHLESWHXLOHPL-UHFFFAOYSA-N 413.476 3.228 0 40 HGAB CNC(=O)NC(=O)[C@@H](OC(=O)/C=C/c1ccc(OC(F)F)cc1)c1ccccc1 6550760 TVCNDWLJIBMVJK-KQPPXVQYSA-N 404.369 3.041 0 40 HGAB Cn1nc(-c2ccc(Cl)cc2)cc1NC(=O)CSc1nnc(C2CC2)n1C 7235143 AJBKPEHWHXRQSZ-UHFFFAOYSA-N 402.911 3.477 0 40 HGAB CS(=O)(=O)c1ccc(C(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2)cc1 7813965 UCUOAXJTOBBBTE-UHFFFAOYSA-N 410.499 3.327 0 40 HGAB O=S(=O)(c1cccc(CN(Cc2ccccc2F)C2CC2)c1)N1CCOCC1 7858216 HLISWUQHVIHXMW-UHFFFAOYSA-N 404.507 3.011 0 40 HGAB C[C@H]1CCN(C(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)c2ccccc2S1 8323828 JFMQNZIPUIOUMW-WNSKOXEYSA-N 421.522 3.297 0 40 HGAB COc1ccc(-c2cc([C@H]3CN4CC[C@H]3C[C@@H]4CNC(=O)c3ccco3)n(C)n2)cc1 8635373 QEZFTJZPTYKCRY-NSHGMRRFSA-N 420.513 3.297 0 40 HGAB biogenic,in-vitro C[C@H]1C(=O)Nc2ccc(C(=O)CSc3nnc(NC[C@@H]4CCCO4)s3)cc21 9503346 IIAQGISLDXQNCR-PWSUYJOCSA-N 404.517 3.160 0 40 HGAB O=C(CC[C@@H]1Cc2ccccc2NC1=O)Nc1cccc(-c2nnnn2C2CC2)c1 9958816 OGBALIKOSRBCMR-MRXNPFEDSA-N 402.458 3.205 0 40 HGAB COc1ccccc1N1CCN(C(=O)c2cc(=O)c(OCc3ccccc3)co2)CC1 11856503 BGYZFINVFIVNMA-UHFFFAOYSA-N 420.465 3.190 0 40 HGAB O=C(CSc1ccc(-c2ccc3c(c2)OCO3)nn1)NCc1ccc2c(c1)OCO2 12140495 LGLBRPSBTVOGTJ-UHFFFAOYSA-N 423.450 3.010 0 40 HGAB O=C(NCCc1ccc(F)cc1)c1ccc(Cl)c(N2CCCCS2(=O)=O)c1 12194906 JXCROEVXYRGGDS-UHFFFAOYSA-N 410.898 3.382 0 40 HGAB Cc1cc(C)c(-c2cc(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)[nH]n2)c(O)c1 12468457 MRYGVIJIDYETIN-UHFFFAOYSA-N 417.469 3.449 0 40 HGAB COc1ccccc1NS(=O)(=O)c1cccc(NC(=O)[C@H]2Cc3ccccc3O2)c1 12544924 CTSYGHYHSPRNRU-OAQYLSRUSA-N 424.478 3.438 0 40 HGAB O=C(NCc1ccc(F)cc1)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 12746057 KUGSTIADZUKQJU-UHFFFAOYSA-N 416.518 3.032 0 40 HGAB Cc1nn(C)c(=O)c(C(=O)/N=c2/sccn2Cc2ccc(Cl)cc2Cl)c1C 12787046 ODPUVPGEQQSPNB-DYTRJAOYSA-N 423.325 3.356 0 40 HGAB COc1cccc(NC(=O)CSc2nnc([C@@H]3COc4ccccc4O3)n2C)c1 12790029 QDMFEVAWQIQQQC-KRWDZBQOSA-N 412.471 3.067 0 40 HGAB O=C(CN(c1cccc(F)c1)S(=O)(=O)c1ccccc1)NCc1cccs1 13015188 ULQYRTMSGBZYCQ-UHFFFAOYSA-N 404.488 3.399 0 40 HGAB CC[C@H](C(=O)Nc1ccc2c(c1)OCO2)N(c1ccc(Cl)cc1)S(C)(=O)=O 13714398 WBNFQQSRBVIVMC-OAHLLOKOSA-N 410.879 3.252 0 40 HGAB CC1=C(C(=O)N2CCOCC2)[C@H](c2ccccc2C(F)(F)F)NC(=O)N1C1CC1 14170939 XVZVNMWRLBERJS-KRWDZBQOSA-N 409.408 3.067 0 40 HGAB CCCCNC(=O)COC(=O)c1cccnc1Sc1ccc2c(c1)OCCO2 14199215 RUJKDTGDUAYVLS-UHFFFAOYSA-N 402.472 3.077 0 40 HGAB CCN(CC(=O)Nc1ccc(OC)cc1)C(=O)c1cc(Cl)c2c(c1)OCCO2 14230465 GJLGPFBJHQKRFC-UHFFFAOYSA-N 404.850 3.221 0 40 HGAB CCC(=O)Nc1ccc(C(=O)OCc2cc(=O)n3nc(CC(C)C)sc3n2)cc1 15771775 FYHANJZZDYXMTR-UHFFFAOYSA-N 414.487 3.055 0 40 HGAB O=C(CN1C(=O)c2ccccc2C1=O)Nc1nnc(C23CC4CC(CC(C4)C2)C3)s1 15994556 VNMZXIBBUDNCFT-UHFFFAOYSA-N 422.510 3.241 0 40 HGAB CN(C)[C@H](CNC(=O)CCn1cnc2sc3c(c2c1=O)CCCC3)c1ccccc1 16229426 RWJILXURNBFVJT-GOSISDBHSA-N 424.570 3.146 0 40 HGAB CCOC(=O)[C@@H]1CCCN([C@@H](c2ccccc2)c2sc3nc(CC)nn3c2O)C1 16690066 QUXMOPZEVORLNA-WBVHZDCISA-N 414.531 3.423 0 40 HGAB COc1ccc(-c2csc(NC(=O)CSc3nccc(O)n3)n2)cc1OC 18202903 KSALNYKYPRIYBR-UHFFFAOYSA-N 404.473 3.054 0 40 HGAB C[C@@H](C(=O)NCCn1ncc(-c2cnccn2)c1-c1cccs1)N1CCCCC1 19080256 SIVANCYIBBKWSC-INIZCTEOSA-N 410.547 3.059 0 40 HGAB Cc1cc(C)nc(S[C@@H](C)C(=O)N2CCC[C@H](c3nc(-c4cccnc4)no3)C2)n1 19118833 JKTNPLXWARARNX-RDJZCZTQSA-N 424.530 3.425 0 40 HGAB Cn1ccnc1[C@@H](c1ccccc1)N1CCN(C(=O)[C@@H]2CCN2C2CCCCC2)CC1 19291297 ATHZOPWLUAKWTM-XZOQPEGZSA-N 421.589 3.061 0 40 HGAB c1ccc(Cn2nnnc2[C@@H](c2ccccc2)N2CCN(C3CCCC3)CC2)cc1 19372837 OEFNWPHOLYOALC-HSZRJFAPSA-N 402.546 3.371 0 40 HGAB COc1cc2c(cc1CN1C[C@@H](c3cccc(F)c3)[C@@]3(COCCC(=O)N3)C1)CCC2 19550626 AAWSMCLICLIXSC-DHLKQENFSA-N 424.516 3.198 0 40 HGAB COCCN(C(=O)c1sc(C)nc1C)c1nc2c(s1)CCc1c-2cnn1C 19559958 YQFJDMDOZQLOCY-UHFFFAOYSA-N 403.533 3.009 0 40 HGAB CNc1nc([C@@H]2CCCN2)nc2c1CCN(C(=O)CCCc1ccc(F)c(C)c1)C2 19707103 HILIJDBJUFKKOM-IBGZPJMESA-N 411.525 3.298 0 40 HGAB CC(=O)c1cccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccccc3)CC2)c1 20898439 MBDPBELONUZJBC-UHFFFAOYSA-N 400.500 3.070 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N[C@H](C)c2ccc(F)cc2)cc1 22537116 IQUNDLQUJXVMOA-OAHLLOKOSA-N 408.495 3.112 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(Br)c(C(=O)N[C@@H](C)C(C)C)c1 22684944 YFDLEWSRGOXYBH-LBPRGKRZSA-N 405.358 3.254 0 40 HGAB CCN1CCCc2cc(CCNC(=O)C(=O)Nc3cc(Cl)ccc3OC)ccc21 22732793 SOWQXRSMINKMEY-UHFFFAOYSA-N 415.921 3.419 0 40 HGAB O=C(NCc1nc2ccccc2s1)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O 23424504 JDVAXVVVSFAHIP-CQSZACIVSA-N 421.478 3.001 0 40 HGAB O=C(c1ccc(F)cc1)N1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1 24496235 GOLFYNYCMQEEOX-UHFFFAOYSA-N 400.841 3.487 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccn(-c4ccccc4)n3)CC2)cc1 24864813 JCCPHWTXADXSKP-UHFFFAOYSA-N 424.526 3.220 0 40 HGAB COC(=O)C[C@H](NC(=O)c1cnn(-c2ccccc2)c1C)c1ccc(OC)c(OC)c1 27157958 GAZMZVVZAMOCDV-IBGZPJMESA-N 423.469 3.232 0 40 HGAB COc1ccccc1N1CCN(C(=O)c2cc(C(C)C)nc3c2c(C)nn3C)CC1 27748432 GYYAAJQBXQOVQK-UHFFFAOYSA-N 407.518 3.371 0 40 HGAB O=C(NC[C@H](c1cccs1)N1CCOCC1)c1cc(=O)c2cc(Cl)ccc2o1 28289062 QFSWYGDJHNTKAP-OAHLLOKOSA-N 418.902 3.311 0 40 HGAB Cc1c([C@H](C)NC(=O)c2cccc(NS(C)(=O)=O)c2)cnn1-c1ccc(F)cc1 29282205 BHZJNVPLMYHIHK-ZDUSSCGKSA-N 416.478 3.182 0 40 HGAB CSc1ccc(N2C[C@@H](C(=O)NCc3ccc(Cn4ccnc4)cc3)CC2=O)cc1 30217157 GRAQHZAHVYPWBR-IBGZPJMESA-N 420.538 3.323 0 40 HGAB O=c1nc2n(Cc3ccc(Cl)c(Cl)c3)cccc-2c(=O)n1Cc1ccncc1 32641772 DXDJGWQFHJZPGO-UHFFFAOYSA-N 413.264 3.308 0 40 HGAB Cc1nn(CC(=O)NCCc2ccc(N3CCCCC3)cc2)c(=O)c2ccccc12 32933095 SVUGVOXPBXGJOU-UHFFFAOYSA-N 404.514 3.054 0 40 HGAB COC(=O)C1=C(C(=O)OC)N(c2ccc(Cl)cc2)C(=O)N[C@H]1c1ccccc1F 32936412 LPJPTXQZBIFNNA-INIZCTEOSA-N 418.808 3.350 0 40 HGAB COc1ccc(CN(C(=O)[C@H]2[C@H](C=C(C)C)C2(C)C)[C@@H]2CCS(=O)(=O)C2)cc1 35074156 GCPAZEFEFVJBNE-YZGWKJHDSA-N 405.560 3.449 0 40 HGAB O=C1CCCN1c1ccc(S(=O)(=O)NCCc2c[nH]c3ccc(Cl)cc23)cc1 36612458 CPKQXURGPWLFPG-UHFFFAOYSA-N 417.918 3.469 0 40 HGAB O=C(NCc1cccc(CN2CCCCC2)c1)c1ccc(CN2CCOCC2)cc1 38831655 LOGLDYJUPBAPFX-UHFFFAOYSA-N 407.558 3.435 0 40 HGAB Cc1c(NC(=O)[C@H]2CC(=O)N(C3CC3)C2)cccc1C(=O)N1CCc2sccc2C1 40051652 YZRHAODTLCNRQW-INIZCTEOSA-N 423.538 3.204 0 40 HGAB C[C@@H](NC(=O)c1ccoc1)C(=O)Nc1cccc(CN(C)C(=O)OC(C)(C)C)c1 48236701 IRCPCXJDMVXDKH-CQSZACIVSA-N 401.463 3.404 0 40 HGAB O=C1C[C@H](c2cccc(Cl)c2)[C@H](n2cncn2)C(=O)[C@H]1[C@H]1NCCc2ccccc21 49772132 YACGSFQFKLDZPH-YJMBLLCNSA-N 420.900 3.302 0 40 HGAB O=S(=O)(CCNc1ncc(-c2cccs2)c(-c2nccs2)n1)N1CCCC1 57740462 JCIVDZSYQVSIFB-UHFFFAOYSA-N 421.573 3.166 0 40 HGAB O=C(O)c1cc(NS(=O)(=O)c2ccc(F)c(F)c2)ccc1N1CCSCC1 58366100 SWRYSZHWQKEPFW-UHFFFAOYSA-N 414.455 3.017 0 40 HGAB Cc1c(C(=O)Nc2ccc(F)c(F)c2)nnn1CC(=O)Nc1ccc(Cl)cc1 67322462 YWBDEVHFTRATEP-UHFFFAOYSA-N 405.792 3.409 0 40 HGAB O=C(CSc1nnc(NC(=O)c2cc(-c3ccco3)on2)s1)NC1CCCC1 70635132 RHTJZFCTYXBCMY-UHFFFAOYSA-N 419.488 3.189 0 40 HGAB COc1ccccc1CNC(=O)c1cn(-c2ccc(-c3nc(C4CC4)no3)cn2)cn1 71768265 RTNIYZCSSGSIOP-UHFFFAOYSA-N 416.441 3.133 0 40 HGAB CC(C)[S@@](=O)c1ccc(C(=O)NC[C@H](C)N2CCN(c3ccccc3)CC2)cc1 72294489 HUVTZKQGQVGQKT-SLQAJWMNSA-N 413.587 3.143 0 40 HGAB O=C(Nc1ccc2c(c1)OCO2)N1CCN(CCn2ccnc2-c2ccccc2)CC1 77159777 JFHDPFDOEBDZOU-UHFFFAOYSA-N 419.485 3.129 0 40 HGAB C[C@@H]1CN(C(=O)c2ccc(CNC(=O)c3ccc4ccccc4n3)cc2)C[C@@H](C)O1 84705979 AHTHVNMVOZZMLY-IAGOWNOFSA-N 403.482 3.414 0 40 HGAB O=C(CN1CCN(Cn2cnc3ccccc32)CC1)Nc1ccccc1C(F)(F)F 95356687 GFKYKZUWBDJUJO-UHFFFAOYSA-N 417.435 3.269 0 40 HGAB CCN1C[C@H](C)N(C(=O)c2cccc(S(=O)(=O)Cc3ccccc3)c2)C[C@@H]1C 95451836 VKGQRORNDPCRHO-ROUUACIJSA-N 400.544 3.215 0 40 HGAB CNC(=O)[C@@H]1CCCN1C(=O)Nc1ccc(CN(C[C@@H]2CCCCO2)C(C)C)cc1 95460783 RTIZAPRRXLLGSQ-SFTDATJTSA-N 416.566 3.208 0 40 HGAB CCC[C@@H]1CN(C(=O)[C@@H]2CCn3c(cnc3C3CCCCC3)C2)CCN1CCOC 95993275 VMOHIQYDZLSLFW-NHCUHLMSSA-N 416.610 3.453 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)N2Cc3ccccc3OC[C@H]2C)c1 96007834 UJGMVXHIEJZEGQ-QGZVFWFLSA-N 416.543 3.449 0 40 HGAB Cc1ccc(C(=O)Nc2ccc3c(c2)C(=O)N(C)c2cccnc2S3)c(=O)n1C 96223914 SDVNQRRSMXMINX-UHFFFAOYSA-N 406.467 3.082 0 40 HGAB Cc1ncc(-c2ccccn2)c([C@H]2CC[C@H](CNC(=O)c3ccc(=O)n(C)c3)CC2)n1 100148270 DZDMNCWUKVKKEZ-HDICACEKSA-N 417.513 3.250 0 40 HGAB COc1ccc(OC)c(C2=NO[C@@H]3C(=O)N(c4cccc5ccccc45)C(=O)[C@H]23)c1 101262935 WGXAYLOIOLKDDP-CTNGQTDRSA-N 402.406 3.150 0 40 HGAB COc1ccc(C2=NO[C@H]3C(=O)N(c4cc(Cl)ccc4Cl)C(=O)[C@@H]23)c(OC)c1 101358802 VKUQRBISRFOJKN-DOTOQJQBSA-N 421.236 3.303 0 40 HGAB CCOC(=O)[C@H](C(=O)CSc1nnc(-c2cccs2)n1C)c1nc(C)cs1 103035052 CGQNDTWXLFKVLO-CYBMUJFWSA-N 422.557 3.317 0 40 HGAB COc1ccc(OC)c(NC(=O)c2ccc(N3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2)c1 104625665 LOVGBFOIJTVHGM-LATRNWQMSA-N 418.449 3.268 0 40 HGAB CCOc1cccc(CNC(=O)CCCN(c2cccc(C)c2)S(C)(=O)=O)c1 113956258 IUHCHXLFADEHFZ-UHFFFAOYSA-N 404.532 3.256 0 40 HGAB COc1ccc(CNC(=O)CCCN(c2cccc(C)c2C)S(C)(=O)=O)cc1 113961654 XFDGPEGALRRECN-UHFFFAOYSA-N 404.532 3.175 0 40 HGAB CCc1ccc(S(=O)(=O)N2CCC[C@H](S(=O)(=O)c3ccc(F)cc3)C2)s1 211106056 YSTMBXOECJSIGV-INIZCTEOSA-N 417.549 3.077 0 40 HGAB CC(C)OCCCNS(=O)(=O)c1cc(C(=O)O)ccc1NCCc1ccccc1 217512237 PILUGLTXPXSASR-UHFFFAOYSA-N 420.531 3.133 0 40 HGAB C[C@@H](NC(=O)CCN1C(=O)c2ccccc2S1(=O)=O)c1ccc(C(C)(C)C)cc1 219665635 IYLBCNBUNYTRMS-OAHLLOKOSA-N 414.527 3.396 0 40 HGAB CCC[C@@H]1CCc2c(sc(NC(=O)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C(=O)O)c2C(N)=O)C1 222478580 BEJPIHKVXGDYOT-POPZOMSYSA-N 402.516 3.213 0 40 HGAB CCOc1cc(CNS(=O)(=O)c2ccc(Cl)c(C(=O)OC)c2)ccc1OC 223862618 BWIJRVWLHPWNSQ-UHFFFAOYSA-N 413.879 3.012 0 40 HGAB Cc1c(NS(C)(=O)=O)cccc1C(=O)NCc1cccc(CN2CCCCC2)c1 224668251 ZCYVYTDRJFIOSN-UHFFFAOYSA-N 415.559 3.282 0 40 HGAB O=C(c1ccc2c(c1)CCN2S(=O)(=O)c1ccccc1)N1CCOc2ccccc21 225848219 ILLFHVDTZAACAV-UHFFFAOYSA-N 420.490 3.477 0 40 HGAB CN(CC(=O)Nc1nnc(-c2ccc(Cl)cc2)s1)S(=O)(=O)c1ccccc1 225876229 IOKLAACOBOTMJJ-UHFFFAOYSA-N 422.919 3.118 0 40 HGAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)N(C)c2ccc(C)c(C)c2)cc1 226047015 CIFRJHPTLHDCON-UHFFFAOYSA-N 404.532 3.376 0 40 HGAB C[C@H](Oc1nn(-c2ccccc2)cc1Br)C(=O)NCCc1ccco1 227160016 AEXZJHSEUAFWSY-ZDUSSCGKSA-N 404.264 3.354 0 40 HGAB C[C@H](O)c1onc(-c2ccc(F)cc2)c1C(=O)N1CCN(Cc2ccccc2)CC1 253408397 XVATZEMAIJXWDK-INIZCTEOSA-N 409.461 3.492 0 40 HGAB biogenic,in-vitro COCCN1C(=O)Cc2c(C)nc([C@@]3(C)CCCN(Cc4sccc4C)C3)nc21 257211790 CAKPGWUQPMZCMX-QFIPXVFZSA-N 414.575 3.244 0 40 HGAB Cc1cc(-c2nccn2C)nc([C@@H]2CCCN(C(=O)c3ccc4[nH]cnc4c3)C2)n1 257240065 HRXGUBTWRMPCDG-MRXNPFEDSA-N 401.474 3.082 0 40 HGAB Cc1cc(-c2cn(C)nc2[C@H]2CC[C@H](CNC(=O)COc3cccnc3)CC2)on1 257285673 PIFFZRNRPHHUNF-QAQDUYKDSA-N 409.490 3.248 0 40 HGAB Cc1cnc(C(=O)N2CCN(c3cnn4ccc(-c5ccc(F)cc5)cc34)CC2)cn1 306132195 LBKYRYVBWOVYDK-UHFFFAOYSA-N 416.460 3.201 0 40 HGAB CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)Cc1c[nH]c2cc(Cl)ccc12 525094089 RDHNKWKFOTYOPN-FQEVSTJZSA-N 408.889 3.319 0 40 HGAB CC(C)n1cnnc1[C@H]1CCCN(S(=O)(=O)c2sccc2Br)C1 540477649 TZYIAGKMTJCLHK-NSHDSACASA-N 419.370 3.251 0 40 HGAB C[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@]12CCCN(c1ncnc3ccsc13)CC2 585100640 RIXIEHWLTUCKHS-CKJXQJPGSA-N 400.548 3.468 0 40 HGAB O=C(c1cncc(Br)c1)N1CCC(COc2cc(C3CC3)ncn2)CC1 1565522688 NLTSEZJGCZKUQA-UHFFFAOYSA-N 417.307 3.443 0 40 HGAB O=C(NC(=S)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccccc1 675573 RXCOOJKOJSJNQZ-UHFFFAOYSA-N 417.556 3.378 0 40 HGAB CS(=O)(=O)N(CC(=O)Nc1ccc2c(c1)OCCO2)c1cccc2ccccc12 793325 AESKLZZNXVSAOE-UHFFFAOYSA-N 412.467 3.016 0 40 HGAB COc1ccc(-n2ncc3c(SCC(=O)NCc4ccccc4)ncnc32)cc1 1346593 KIPZDDBDHXTBLZ-UHFFFAOYSA-N 405.483 3.233 0 40 HGAB COC(=O)c1c(C(=O)OC)c(-c2cc(Cl)cc(Cl)c2)n2c1C[S@](=O)C2 1383389 RAUTWMKPSRWKOK-RUZDIDTESA-N 402.255 3.255 0 40 HGAB CCOC(=O)c1cccc(C(=O)c2ccc(CN3CCC4(CC3)OCCO4)cc2)c1 2514724 AIYXQEPMYOPOQA-UHFFFAOYSA-N 409.482 3.433 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)NCc2cccc(OC)c2)cc1 2618256 QNCLFPUTGYYCDZ-SDNWHVSQSA-N 402.516 3.055 0 40 HGAB COCCNC(=O)COC(=O)c1cc2c(C)nn(Cc3ccccc3Cl)c2s1 3470843 PQAUIXKTZUQUDD-UHFFFAOYSA-N 421.906 3.027 0 40 HGAB CCc1nnc(NC(=O)c2ccc3c(c2)[nH]c(=O)n3Cc2ccc(OC)cc2)s1 5001835 VQWIRAMMKNTJAQ-UHFFFAOYSA-N 409.471 3.053 0 40 HGAB O=C(N[C@@]1(C(F)(F)F)N=C(O)N(C2CCCCCC2)C1=O)c1ccc(F)cc1 5149602 QQJBMPZTIIPXHE-QGZVFWFLSA-N 401.360 3.293 0 40 HGAB Cc1cc(NC(=O)CSc2nnc3ccc(-c4ccc(Cl)cc4)nn23)no1 5167452 SYCSKEBMESIXNR-UHFFFAOYSA-N 400.851 3.472 0 40 HGAB CCOC(=O)N1CCc2c(sc(NC(=O)c3ccc(SC)cc3)c2C(N)=O)C1 5222835 LQCOAAZIZXHOBT-UHFFFAOYSA-N 419.528 3.336 0 40 HGAB CCOc1ccccc1N1C(=O)C[C@@H](NCCc2c[nH]c3ccc(OC)cc23)C1=O 5274549 BRBRWHQVMVBDIO-LJQANCHMSA-N 407.470 3.039 0 40 HGAB CC(=O)c1ccc(OCC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 6271402 JKBCWYCUOPMMIP-UHFFFAOYSA-N 416.499 3.081 0 40 HGAB O=C(c1ccco1)N1CCN(C(=O)c2cc(-c3ccncc3)nc3ccccc23)CC1 6402993 CXJOAIFASMAVOO-UHFFFAOYSA-N 412.449 3.488 0 40 HGAB O=C(COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)Nc1ccccc1 6475573 ZKDPERKUQVDWHC-UHFFFAOYSA-N 408.479 3.456 0 40 HGAB CCOc1cc([C@H]2c3c(-c4c(C)cc(C)cc4O)n[nH]c3C(=O)N2CCO)ccc1O 6743238 KBMQJOYFJZHNJU-QFIPXVFZSA-N 423.469 3.041 0 40 HGAB CCc1nnc2n1N[C@@H](c1ccc(F)cc1)[C@H](C(=O)Nc1ccc(OC)cc1)S2 6812113 QJBYIZVYJKBILX-ZWKOTPCHSA-N 413.478 3.386 0 40 HGAB C[C@H]1CCCN(CC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)C1 6882140 MCISZGOEKWOYAO-HNNXBMFYSA-N 413.971 3.185 0 40 HGAB COc1cc(CNC(=O)Cn2c(=O)oc3ccccc32)ccc1OCc1ccccc1 7291391 MARGUYHULHUDKU-UHFFFAOYSA-N 418.449 3.499 0 40 HGAB CCn1c(SCC(=O)Nc2ccc(N3CCCC3=O)cc2)nnc1-c1ccco1 7641318 ZMQYAHGKBKKZOS-UHFFFAOYSA-N 411.487 3.416 0 40 HGAB O=S(=O)(c1ccc(Cl)cc1)N1CCC(c2nc(-c3ccncc3)no2)CC1 7701547 WJYHWXRKCLYYSQ-UHFFFAOYSA-N 404.879 3.353 0 40 HGAB Cc1ccc(OCCNC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)cc1 8237570 GZMSJJIAEJXVCX-UHFFFAOYSA-N 422.934 3.242 0 40 HGAB Nn1c(Cc2ccccc2F)nnc1SCc1cc(Cl)c2c(c1)OCCO2 8312188 NTHLJUXLKAYGJP-UHFFFAOYSA-N 406.870 3.439 0 40 HGAB C[C@@H](Sc1nnc(Cc2cccs2)n1C1CCCCC1)C(=O)N1CCNC1=O 8313151 MAJOUSGKURKEGG-CYBMUJFWSA-N 419.576 3.468 0 40 HGAB O=C1COc2ccccc2N1CCC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 9582742 XYYNJDHQPFVPNS-SFHVURJKSA-N 422.481 3.327 0 40 HGAB CCn1cc(C(=O)NCCc2ccc(OC)cc2)c2nn(-c3ccccc3)c(=O)c-2c1 9661426 QIMINGVNWRDUGO-UHFFFAOYSA-N 416.481 3.140 0 40 HGAB COc1ccc(C)cc1S(=O)(=O)N1CCC[C@@H](C(=O)N(C)Cc2ccccc2)C1 9974786 KGSXTGSSYKJYFX-LJQANCHMSA-N 416.543 3.063 0 40 HGAB O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)COc2cccc(Cl)c2)CC1 10215805 XLHQFSNBSZPADS-UHFFFAOYSA-N 416.861 3.325 0 40 HGAB Cc1ccc(-n2ncc3c(=O)n(NC(=O)c4c(F)cccc4Cl)cnc32)cc1C 10252057 VXEMNPZUDFWNJD-UHFFFAOYSA-N 411.824 3.375 0 40 HGAB O=C(Cn1c(=O)n(-c2ccccc2)c(=O)c2ccccc21)Nc1cccc(Cl)c1 10338769 IEMXJQLUHQGXRB-UHFFFAOYSA-N 405.841 3.445 0 40 HGAB CC(C)c1ccccc1NC(=O)CN(C)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C 11068489 GIDZQKFZYHIWNK-QGZVFWFLSA-N 422.529 3.444 0 40 HGAB Nc1cc(-c2cccs2)nn(CC(=O)Nc2ccc(N3CCCCC3)cc2)c1=O 12118014 QRDKNHJIMCRPMZ-UHFFFAOYSA-N 409.515 3.183 0 40 HGAB COc1ccc(Cl)c2sc(N(CCN(C)C)C(=O)c3cc(C)nn3C)nc12 12229459 YBLXIRHERMJWQY-UHFFFAOYSA-N 407.927 3.209 0 40 HGAB CC(=O)c1ccc(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)CCCC3)cc1 12883807 SFCUTBOMCIKRHX-UHFFFAOYSA-N 400.500 3.075 0 40 HGAB Cc1nn(CC(C)C)c(C)c1CCC(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1 12905864 ASXFYJHNCPRIIC-UHFFFAOYSA-N 418.563 3.168 0 40 HGAB Cc1nc(C(=O)N(C)CC(=O)Nc2cccc(F)c2)nn1-c1ccc(Cl)cc1 12913890 SUIRMCADJVIAHE-UHFFFAOYSA-N 401.829 3.079 0 40 HGAB CSCC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CCCCCCC1 12974419 YMMUTCRSARGFJR-INIZCTEOSA-N 402.557 3.018 0 40 HGAB Cc1ccsc1/C=c1\sc2nc(-c3ccccc3Br)nn2c1=O 13512809 BNHGSNIGRKQHKD-JYRVWZFOSA-N 404.314 3.498 0 40 HGAB CCOC(=O)C1=C(CSc2nnc(C)s2)NC(=O)N[C@@H]1c1ccccc1Cl 13566266 QBLUMEUHGVKHHN-CQSZACIVSA-N 424.935 3.463 0 40 HGAB COc1ccc(F)cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2c(C)cccc2C)C1 13580613 BTOMSSRXWRJPGS-MRXNPFEDSA-N 420.506 3.491 0 40 HGAB C[C@H](C(=O)Nc1sc2c(c1C(N)=O)CCC2)N(C)Cc1nc2ccccc2s1 14197880 FGAJZCCKMBRIBK-LLVKDONJSA-N 414.556 3.404 0 40 HGAB Cn1c(SCC(=O)NCc2ccc(F)cc2)nc2c(-c3ccccc3)c[nH]c2c1=O 16840950 LEGGSRXYYMBAPG-UHFFFAOYSA-N 422.485 3.476 0 40 HGAB COc1cc(NC(=S)NC(=O)CC(C)C)ccc1N1C(=O)c2ccccc2C1=O 17088882 RMMIUWRNNQRHLT-UHFFFAOYSA-N 411.483 3.355 0 40 HGAB CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2ccc(CN3CCCC3=O)cc2)c1C 18378078 UHMBSVAOIXNEFU-MRXNPFEDSA-N 410.470 3.385 0 40 HGAB Cc1ccc([C@H]2CCCN2C(=O)[C@H](C)N2C(=O)c3ccccc3S2(=O)=O)cc1C 19213662 MGNCUTDXKNTOQF-QFBILLFUSA-N 412.511 3.200 0 40 HGAB O=C(N[C@H](Cc1ccsc1)c1nccs1)[C@@H]1CC(=O)N(Cc2cccnc2)C1 19338809 LHOYXBVKSVQAQF-IAGOWNOFSA-N 412.540 3.048 0 40 HGAB CC(C)Oc1cccc(CNC(=O)c2cc(C(C)C)n([C@H]3CCS(=O)(=O)C3)n2)c1 19452655 OONJYURQERSMKN-KRWDZBQOSA-N 419.547 3.083 0 40 HGAB CCOc1cc2c(cc1CN[C@@H]1CCC(=O)N[C@H]1c1cc(OC)ccc1F)OCO2 19532553 NFDIIXSZSCCRIO-VGSWGCGISA-N 416.449 3.071 0 40 HGAB COc1ccc([C@H]2c3nc[nH]c3CCN2C(=O)c2cn(C)c(=O)c3ccccc23)cc1 19663640 SIFBZGMFPXZLJP-QFIPXVFZSA-N 414.465 3.058 0 40 HGAB COc1ccccc1-c1ccc(NC(=O)CCc2c(C)[nH]c3nc(C)nn3c2=O)cc1 19664467 RMQUDWAHUQZPIM-UHFFFAOYSA-N 417.469 3.281 0 40 HGAB COc1ccc(-n2nnc(-c3nsc(NC(=O)c4cccc(OC)c4)n3)c2C)cc1 20597814 RZYNYDTUPOMVNO-UHFFFAOYSA-N 422.470 3.364 0 40 HGAB O=S1(=O)CC[C@@H](Cc2nnc(SCc3cccc(Br)c3)o2)C1 22012006 LRZJIHARMZAPFJ-NSHDSACASA-N 403.323 3.102 0 40 HGAB COc1ccc(-c2noc(CN3CCN(C(=O)Nc4cccc(C)c4)CC3)n2)cc1 22424751 JTTXBOJDWRQDNX-UHFFFAOYSA-N 407.474 3.403 0 40 HGAB CCCn1c(=O)n(CCC(=O)NCCCc2nc3ccccc3[nH]2)c2ccccc21 22490785 IKLLZTJRTLCBMN-UHFFFAOYSA-N 405.502 3.228 0 40 HGAB C[C@H](NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1)c1ccc(F)c(F)c1 24040061 LGZVLPBBJLYXED-LIRRHRJNSA-N 408.470 3.385 0 40 HGAB COc1cccc(NC(=O)[C@@H](C)OC(=O)[C@@H](C)NC(=O)c2ccc(Cl)cc2)c1 24757497 CUASNOMHNUHEMD-CHWSQXEVSA-N 404.850 3.037 0 40 HGAB O=C(Cn1cnc2c(oc3ccccc32)c1=O)Nc1cccc(C(=O)N2CCCC2)c1 30479556 SNCANBMXISDVCL-UHFFFAOYSA-N 416.437 3.017 0 40 HGAB Cc1ccc(N2C[C@@H](C(=O)NCCCN3CCc4ccccc4C3)CC2=O)cc1F 32400947 ASYBDMMWEJHZPJ-FQEVSTJZSA-N 409.505 3.052 0 40 HGAB CC(C)c1ccc(OCC(=O)N(C)CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)cc1 32859834 CGJSACNQSADZBV-KRWDZBQOSA-N 423.513 3.411 0 40 HGAB CC(=O)Nc1cc(NC(C)=O)cc(C(=O)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)c1 32872058 XCKDDSOIFCWNMY-INIZCTEOSA-N 419.485 3.500 0 40 HGAB COc1ccc(-c2cc(C(=O)N3CCC[C@@H](C(=O)N4CCC(C)CC4)C3)no2)cc1 35989310 FHBJMKCIVUNTOA-GOSISDBHSA-N 411.502 3.461 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCN(Cn3nc(C(C)(C)C)oc3=S)CC2)c(C)c1 36395854 XTSWAHPPPDGSEH-UHFFFAOYSA-N 424.592 3.084 0 40 HGAB COc1ccc(-c2cc(C(=O)N[C@H](C)Cn3nc(C)cc3C)c3cnn(C)c3n2)cc1 36613406 YEIMLRFVBAUVAO-OAHLLOKOSA-N 418.501 3.276 0 40 HGAB CCC(=O)N1CCCc2cc([C@H](O)CN3CCN(c4ccccc4F)CC3)ccc21 36741244 WPKAAKNLBBEBHW-HSZRJFAPSA-N 411.521 3.371 0 40 HGAB O=C(NCc1ccc(OCC(F)(F)F)cc1)[C@@H]1CSCN1C(=O)c1ccccc1 40040138 NNXHJXGQBVVSOL-KRWDZBQOSA-N 424.444 3.459 0 40 HGAB Cc1cccc2[nH]cc(C3=CCN(C(=O)Nc4cccc(S(N)(=O)=O)c4)CC3)c12 40151555 XRWFPMHWODQATP-UHFFFAOYSA-N 410.499 3.445 0 40 HGAB CC(=O)Nc1ccc(OC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)cc1 40160147 DCPXNPFDMLNZOO-UHFFFAOYSA-N 422.890 3.302 0 40 HGAB C[C@H]1C[C@@H](C)CN(Cc2ccc(CNC(=O)Cn3ncc4ccccc4c3=O)cc2)C1 48310952 OTZSDLLVQPVJTA-KDURUIRLSA-N 418.541 3.191 0 40 HGAB c1cc2c(cc1Cn1cc(-c3cnn(Cc4ccc5c(c4)OCO5)c3)cn1)OCO2 49581200 RZXYFLDJHDTYIP-UHFFFAOYSA-N 402.410 3.301 0 40 HGAB COc1cc(NC(=O)C[C@@H]2C(=O)Nc3c(-c4ccccc4)cnn32)cc(OC)c1OC 71287836 QGWUMQOVOVEBTB-MRXNPFEDSA-N 422.441 3.098 0 40 HGAB CC1(C)C(NC(=O)/C=C/c2cccnc2)C(C)(C)C1NC(=O)/C=C/c1cccnc1 79016144 IBJCMCDONWGMAY-WGDLNXRISA-N 404.514 3.239 0 40 HGAB C[C@@H]1C[C@@H]1C(=O)N1CCN(C(=O)CCSc2ccc(Br)cc2)CC1 89920400 SSGZNEQBPSKHMI-CJNGLKHVSA-N 411.365 3.258 0 40 HGAB COc1cccc(CN2CCC[C@@]3(CCN(S(=O)(=O)c4cccs4)C3)C2)c1 96215604 WKYJZKUXLHSYLW-HXUWFJFHSA-N 406.573 3.434 0 40 HGAB COc1ccc(N2CCC[C@H](C(=O)NCCc3nc(-c4ccccc4)cs3)C2)nn1 96232136 QDNGJULPZRYJTK-KRWDZBQOSA-N 423.542 3.184 0 40 HGAB O=C(CSc1nc(O)cc(-c2ccccc2)n1)NCc1ccc2c(c1)OCCCO2 96325029 ZNZAPFHWSUGWRY-UHFFFAOYSA-N 423.494 3.419 0 40 HGAB CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCc1cc(Cl)c2c(c1)OCCO2 97000881 KYSPJGHWWUMJEY-OAHLLOKOSA-N 412.914 3.463 0 40 HGAB O=C1C[C@@H](Sc2nnc3sc4ccccc4n23)C(=O)N1c1ccc2c(c1)OCO2 104280513 TYEMCMSXTNFOCU-OAHLLOKOSA-N 424.463 3.097 0 40 HGAB COc1ccc(NC(=O)c2cccc(N3C(=O)[C@@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)c2)c(OC)c1 104560416 NUDBSGNUJYOHDN-BMHXQBNDSA-N 418.449 3.268 0 40 HGAB Cc1ccc(C(=O)COC(=O)c2cccnc2SCC(=O)N2CCCC2)c(C)c1 215690602 MXFLJTZYNLIDJG-UHFFFAOYSA-N 412.511 3.453 0 40 HGAB COc1ccc(N([C@H](C)C(=O)Nc2c(C)cccc2C)S(C)(=O)=O)cc1OC 220225124 SPZNKXDZKRMWRX-OAHLLOKOSA-N 406.504 3.114 0 40 HGAB CC[C@@H](C(=O)NCCSc1ccccc1)N(c1cccc(OC)c1)S(C)(=O)=O 220614792 YXEAOKKVCWZHLN-IBGZPJMESA-N 422.572 3.148 0 40 HGAB O=C(O)c1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCO)o2)cc1 223593590 WIUSCOLMUQPMSH-RBUKOAKNSA-N 409.467 3.005 0 40 HGAB CCN(Cc1nc(-c2cccs2)no1)S(=O)(=O)c1cc(C(=O)OC)ccc1C 223912355 IYIISSBUBLWCQO-UHFFFAOYSA-N 421.500 3.104 0 40 HGAB COc1cccc(OCCNC(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2)c1 225155820 KPLSFOXPWQSTSY-PGMHBOJBSA-N 406.438 3.254 0 40 HGAB O=C(Nc1nnc(S(=O)(=O)Nc2cccc(F)c2)s1)c1ccc(Cl)cc1 225849532 YLHXCKJRACINTN-UHFFFAOYSA-N 412.855 3.384 0 40 HGAB CCCNC(=S)Nc1nc(Sc2ncccn2)cc(Sc2ncccn2)n1 225886556 DVDLAIZOGZVJGT-UHFFFAOYSA-N 416.561 3.055 0 40 HGAB CCc1onc(C)c1-c1cccc([C@H]2CN(C(=O)CCn3nccc3C)CCO2)n1 257254930 KFGXBIWMTVDINO-HXUWFJFHSA-N 409.490 3.103 0 40 HGAB CN(C)C(=O)[C@]1(c2ccccn2)CCCN1Cc1cccc(Oc2ncccn2)c1 257284452 PCTQCWMJWVLJLN-HSZRJFAPSA-N 403.486 3.243 0 40 HGAB Cc1cccc(N([C@H](C)C(=O)NCCOc2ccccc2C(C)C)S(C)(=O)=O)c1 260926655 JEATXJNEUYUEEV-GOSISDBHSA-N 418.559 3.468 0 40 HGAB CCS(=O)(=O)N1C[C@@H](C(=O)N[C@H](C)c2cc(C)c(C)cc2C)Oc2ccccc21 260943066 SXSSBMUQPCOVIH-UTKZUKDTSA-N 416.543 3.406 0 40 HGAB CC(C)NC(=O)N1C[C@H]2CC[C@H](CNC(=O)Cc3ccccc3)N2Cc2ccccc21 306130025 IUGRHOYVPBIZPZ-FGZHOGPDSA-N 420.557 3.317 0 40 HGAB CC(C)CNC(=O)COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1Cl 408562466 PUYKAWAEUOLZMF-UHFFFAOYSA-N 414.886 3.431 0 40 HGAB CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCC(C)C)C2)cc1Cl 408624562 QTZGMPOMDXMEKX-HNNXBMFYSA-N 416.971 3.302 0 40 HGAB CCOc1ccc(N([C@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)S(C)(=O)=O)cc1 408630293 RDODGKILOZYQFO-NOCBQHASSA-N 420.575 3.325 0 40 HGAB COC(=O)c1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)O)C3=O)o2)c(C)c1 409130804 NJPHNOBDMYTNFR-OVCLIPMQSA-N 401.396 3.163 0 40 HGAB COc1ccc(Cl)cc1NC(=O)Nc1cc2c(cc1F)N(C)S(=O)(=O)N2C 575614039 ZXOAWSMAAUSGSS-UHFFFAOYSA-N 414.846 3.263 0 40 HGAB Cc1c(C(=O)N2Cc3ccnn3[C@H](CC(=O)N3CCCCO3)C2)oc2ccccc12 585095904 TYLLIJRBEGOLKO-QGZVFWFLSA-N 408.458 3.079 0 40 HGAB Cc1c(C(=O)N2CCn3cc(CC(=O)NC4CCC4)nc3[C@@H]2C)oc2ccccc12 585098648 WCDLBMFUVIPOLB-HNNXBMFYSA-N 406.486 3.366 0 40 HGAB O=C(Cc1c[nH]c2ccccc12)N1CCC[C@H](Oc2ncc(Br)cn2)C1 585341905 GVSJGNZRNPLVEJ-HNNXBMFYSA-N 415.291 3.333 0 40 HGAB C[C@H](CNC(=O)Cn1ccc2ccccc21)N(C)C(=O)Cn1ccc2ccccc21 600316505 UJOQHNLKUKATIM-GOSISDBHSA-N 402.498 3.259 0 40 HGAB COc1cccc(NC(=O)c2nc3c(s2)CCN(C(=O)c2ccc(C)nc2)CC3)c1 1147161948 HOEPDTYEUIBKJO-UHFFFAOYSA-N 422.510 3.348 0 40 HGAB Cc1cc(N2CCC(Cn3cnc4cc(F)ccc4c3=O)CC2)n2nc(C)cc2n1 1889224934 AHFLUNQCGSFRHV-UHFFFAOYSA-N 406.465 3.112 0 40 HGAB CCOc1cccc(OCC)c1NC(=O)CSc1nc2ccccc2c(=O)n1C 933489 WCFMEMSTYASRJT-UHFFFAOYSA-N 413.499 3.462 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCc3ccccc3)C2)cc1Cl 1363727 HCBRRTCJRVPRIL-GOSISDBHSA-N 420.962 3.408 0 40 HGAB CCOC(=O)c1ccccc1OCc1cc([C@@H]2N[C@H](C(=O)O)CS2)ccc1OC 2417154 VZTDKGMQALZQHJ-QFBILLFUSA-N 417.483 3.239 0 40 HGAB COc1ccc(C(=O)COC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2)cc1 3222527 CYCUPDBWPUHDFJ-QFIPXVFZSA-N 417.461 3.462 0 40 HGAB COc1cccc(CC(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)c1 3285931 STKLWTZKPJHFQA-UHFFFAOYSA-N 403.485 3.134 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CSCc3ccccc3C)CC2)cc1 3553201 WLVDWJRBLPOXOT-UHFFFAOYSA-N 418.584 3.070 0 40 HGAB Cc1ccccc1NC(=O)CSc1ncnc2c1nnn2Cc1ccccc1F 4166501 LHTRWKYWZXUFEE-UHFFFAOYSA-N 408.462 3.448 0 40 HGAB CC[C@@H]1CCCCN1C(=O)CSc1nc2ccccc2n1CC(=O)NC1CC1 4902368 ZCMKOWKHZFSQCB-MRXNPFEDSA-N 400.548 3.198 0 40 HGAB Cc1cc(C)c(N(CC(=O)NCCc2ccccc2)C(=O)c2csnn2)c(C)c1 4910798 MCNBTLLUROOYHR-UHFFFAOYSA-N 408.527 3.469 0 40 HGAB COc1ccc(OCc2nnc(SCC(=O)N[C@@H](C)c3ccccc3)n2C)cc1 4947519 SJRKQZRSVPFQHH-HNNXBMFYSA-N 412.515 3.372 0 40 HGAB CCOC(=O)c1c(C)[nH]c(C(=O)O[C@@H](C)C(=O)c2ccc(NC(C)=O)cc2)c1C 5326338 CIAANUSODVGHDP-ZDUSSCGKSA-N 400.431 3.195 0 40 HGAB O=C(CN1CC[C@H]2CCCC[C@@H]2C1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 6551948 VZRZWBFGPKVRJF-RTBURBONSA-N 419.591 3.312 0 40 HGAB COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CCc1c[nH]c2ccccc12 6657800 LMGXWMAANOONFX-UHFFFAOYSA-N 404.470 3.012 0 40 HGAB Cc1occc1-c1nnc(SCC(=O)Nc2sc3c(c2C(N)=O)CCC3)o1 7194347 QHABMHUEJDJCIB-UHFFFAOYSA-N 404.473 3.018 0 40 HGAB COc1ccc(Cl)cc1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccccc2C)C1 8039610 FACJTQDEDXUQQM-CQSZACIVSA-N 416.861 3.192 0 40 HGAB Cc1nc2ccccc2n1CCNC(=O)CNC(=O)CC12CC3CC(CC(C3)C1)C2 8135190 RWUFXLSNIWREFE-UHFFFAOYSA-N 408.546 3.184 0 40 HGAB COc1ccc(NC(=O)c2ccc(NC(=O)COC(=O)c3ccccc3O)cc2)cc1 9283102 RNFZVYWXAWZDEO-UHFFFAOYSA-N 420.421 3.449 0 40 HGAB COc1ccc(NC(=O)Cn2ccn3nc(-c4ccc(Cl)cc4)cc3c2=O)cc1 9327566 LWZJJVRPFOWURU-UHFFFAOYSA-N 408.845 3.464 0 40 HGAB COc1ccc(CC(=O)NCCc2csc3nc(-c4ccc(OC)cc4)nn23)cc1 9568958 DUCNBYSTNPMBJY-UHFFFAOYSA-N 422.510 3.376 0 40 HGAB CCOC(=O)C1=C(COC(=O)C[C@@H]2C=CCC2)NC(=O)N[C@H]1c1ccc(Cl)cc1 9613918 OWUCOZIDIUVQRG-YJYMSZOUSA-N 418.877 3.411 0 40 HGAB CN(C)S(=O)(=O)N(C)c1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1 9694887 KEWYGGSHPNQLJQ-UHFFFAOYSA-N 402.303 3.488 0 40 HGAB COc1cc(OC)cc(C(=O)Nc2cc(-c3nn4cnnc4s3)ccc2OC)c1 10119855 ZUUCORAOKXYVGB-UHFFFAOYSA-N 411.443 3.131 0 40 HGAB CCn1c(SCC(=O)Nc2ccc(C)c(Cl)c2)nnc1-c1cn(C)nc1OC 12422651 BFEPAWRCRJTKHM-UHFFFAOYSA-N 420.926 3.400 0 40 HGAB COc1ccc(CN(C)S(=O)(=O)c2ccc3c(c2)CCCC3)c(OC)c1OC 12757716 HJPBGVUHYALQKU-UHFFFAOYSA-N 405.516 3.412 0 40 HGAB O=C(c1nccnc1-c1nc2ccccc2s1)N1CCN(c2ccncc2)CC1 12785712 UMGWWBKCTIPNQN-UHFFFAOYSA-N 402.483 3.111 0 40 HGAB COc1ccc(C(=O)NCC(=O)N(C)[C@@H](C)c2nc3ccccc3s2)cc1OC 12806452 RUGZOVUYSFJNQG-ZDUSSCGKSA-N 413.499 3.263 0 40 HGAB COc1ccccc1[C@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 12845425 VMDHFZSJXWQHMT-HOTGVXAUSA-N 420.506 3.112 0 40 HGAB O=C(CCNS(=O)(=O)c1ccc(F)cc1)Nc1ccc(OCC(F)(F)F)cc1 12933221 SWTNPTXGPORPPQ-UHFFFAOYSA-N 420.384 3.074 0 40 HGAB CN(CC(=O)Nc1cccc(F)c1)C(=O)CCCNC(=O)c1ccc(Cl)cc1 12999679 IOPUFELJULDOMM-UHFFFAOYSA-N 405.857 3.086 0 40 HGAB NS(=O)(=O)c1ccc(NC(=O)N[C@H](c2ccc(F)cc2)c2cccs2)cc1 13012590 VOCLIIYDYDLPSC-QGZVFWFLSA-N 405.476 3.446 0 40 HGAB O=C(OCc1nnc(-c2ccccc2)o1)[C@H]1CS[C@@]2(c3ccccc3)CCC(=O)N12 13112304 RVOZUKAVRAVIGN-VGOFRKELSA-N 421.478 3.371 0 40 HGAB CN(CCNC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1)c1ccccc1 13673437 FCSBUVCXLGXKGI-UHFFFAOYSA-N 409.511 3.354 0 40 HGAB CCc1ccccc1NC(=O)N1CCN(c2ccc3nnc(-c4ccco4)n3n2)CC1 13700750 VNTWMHJWZMUSDE-UHFFFAOYSA-N 417.473 3.301 0 40 HGAB Cc1c(NC(=O)c2ccc(CSc3nnc[nH]3)cc2)c(=O)n(-c2ccccc2)n1C 14200032 LMCJNCBXLRJCQP-UHFFFAOYSA-N 420.498 3.147 0 40 HGAB COc1ccc([C@@H]2c3c(O)n[nH]c3C[C@](C)(O)[C@H]2C(=O)Nc2ccccc2C)cc1 15080961 GSSMZDUIYCDSFR-XQFWAAQXSA-N 407.470 3.126 0 40 HGAB CCc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(S(=O)(=O)CC)CCC3)cc1 15781455 LCQHBMPOCYCCKD-UHFFFAOYSA-N 408.545 3.152 0 40 HGAB O=C(CSc1nc(=O)n2ccccc2n1)Nc1cc(C(F)(F)F)ccc1Cl 16048081 AIGDZGJEJFHZQZ-UHFFFAOYSA-N 414.796 3.493 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2N2CCCC2=O)cc1 16105467 PEOLDOYNHBEPJZ-UHFFFAOYSA-N 415.515 3.096 0 40 HGAB CCOc1ccc(N2C[C@H](C(=O)N3CCN(c4cccc(C)c4)CC3)CC2=O)cc1 16280212 HYVGRQFAXORCON-LJQANCHMSA-N 407.514 3.095 0 40 HGAB O=c1[nH]c2ccccc2c(O)c1[C@H](c1ccncc1)c1c(O)[nH]c2ccccc2c1=O 18240764 FHEJZTSQACPQBI-UHFFFAOYSA-N 411.417 3.356 0 40 HGAB CC(C)(C)C(=O)N1CCCC[C@H]1c1cc2nc3c(c(O)n2n1)CN(CC1CC1)CC3 19081385 ZLOITSOAASLEFG-IBGZPJMESA-N 411.550 3.303 0 40 HGAB CSCC[C@@H](C(=O)Nc1nc(-c2ccc3c(c2)C[C@@H](C)O3)cs1)n1cnnn1 19498231 KDJCRPAHLPALBX-ABAIWWIYSA-N 416.532 3.053 0 40 HGAB Cc1c(C(=O)N2CC[C@H](c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](C(C)C)N4)C2)cnn1C 19553148 JTBCJYKCOPOWTQ-JLJPHGGASA-N 424.471 3.498 0 40 HGAB COc1ccc(CNC(=O)c2cc([C@@H]3CCCN(Cc4cnn(C)c4C)C3)no2)cc1 19553684 KGDJDXXQODPCAN-GOSISDBHSA-N 423.517 3.035 0 40 HGAB COc1cccc([C@]2(O)CC[C@@H]3CN(S(=O)(=O)c4ccc(Cl)s4)C[C@@H]32)c1 19564966 YSGLBGUKGVQADZ-HNJNHCNJSA-N 413.948 3.328 0 40 HGAB Cc1cc(C(F)(F)F)c2c(C3CCN(C(=O)[C@@H](C)N4CCCC4=O)CC3)noc2n1 19568978 RYTNVSZJGWWMFX-GFCCVEGCSA-N 424.423 3.267 0 40 HGAB CN1CCC(N(CCc2ccccc2)C(=O)c2cnc(N3CCCCC3)nc2)CC1 19588133 XOSLYHNTTIITGA-UHFFFAOYSA-N 407.562 3.246 0 40 HGAB O=C(NCc1ccccc1)[C@@]1(Cc2ccccn2)CN(Cc2ccc(F)cc2)CCO1 19700905 KVVIRHRSKQCORD-RUZDIDTESA-N 419.500 3.351 0 40 HGAB COc1ccc2c(c1)c(C[C@@H](C)NC(=O)c1cc(C(C)C)c3nncn3n1)cn2C 19715463 CBBHDZKLXUZAMS-CQSZACIVSA-N 406.490 3.109 0 40 HGAB O=C(COc1ccc(Cl)cc1S(=O)(=O)N1CCCC1)Nc1ccccc1F 19935271 IIZICGYUSMUGHB-UHFFFAOYSA-N 412.870 3.281 0 40 HGAB CCOc1ccccc1CNC(=O)[C@H](C)N(c1cc(C)cc(C)c1)S(C)(=O)=O 20459910 RCXQLPHOAYGPKV-KRWDZBQOSA-N 404.532 3.173 0 40 HGAB CS(=O)(=O)c1ccc2nc(NC(=O)Cn3ccc4ccc(F)cc43)sc2c1 20720475 CIUFFLUJPXXSPT-UHFFFAOYSA-N 403.460 3.432 0 40 HGAB COC(=O)C[C@@H](NC(=O)[C@H]1Cc2ccccc2S1)c1ccc(OC)c(OC)c1 21442583 JFLRITBIFAWINU-DNVCBOLYSA-N 401.484 3.141 0 40 HGAB CC(C)n1cnc2nc(COc3cccc(NC(=O)c4cccc(F)c4)c3)cc(=O)n21 21796924 IZYDYNHBCXAHJK-UHFFFAOYSA-N 421.432 3.442 0 40 HGAB COc1ccc(C(C)=O)cc1CN1CCN(Cc2cc(C(C)=O)ccc2OC)CC1 22467849 XMEVMSRXOCFXLV-UHFFFAOYSA-N 410.514 3.427 0 40 HGAB Cc1nc2sc([C@H](c3ccc(C(C)C)cc3)N3CCC(C(N)=O)CC3)c(O)n2n1 23157175 UQLMHFLQPJFXEJ-KRWDZBQOSA-N 413.547 3.215 0 40 HGAB C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CN(C)Cc1cnn(Cc3ccccc3)c1)C2=O 23761660 FOJJNTRBGAQTTR-MHECFPHRSA-N 423.561 3.458 0 40 HGAB O=C1c2ccc(C(=O)N(Cc3ccccc3F)C3CC3)cc2C(=O)N1C[C@H]1CCCO1 23955297 IFPZDHRODGNOAL-GOSISDBHSA-N 422.456 3.406 0 40 HGAB CC(C)[C@@H](C)NC(=O)CN1CCCN(c2ncc(C(F)(F)F)cc2Cl)CC1 25355240 XYVWAZFYGFGGOF-CYBMUJFWSA-N 406.880 3.427 0 40 HGAB O=C(NCC(=O)N1CCN(Cc2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 25460448 QMWQWLAYDATQJR-UHFFFAOYSA-N 406.313 3.068 0 40 HGAB COc1cccc(/C=c2\sc3nc(=O)c(Cc4ccccc4Cl)c(C)n3c2=O)c1 27022858 RQJHWWWXFPETTM-ODLFYWEKSA-N 424.909 3.225 0 40 HGAB Cc1cc2oc(=O)cc(CN3c4ccc(S(N)(=O)=O)cc4C[C@@H]3C)c2cc1Cl 27555977 IORLZQXDUCDTPS-LBPRGKRZSA-N 418.902 3.353 0 40 HGAB Cc1ccc(S(=O)(=O)N2C(=O)CC[C@@H]2C(=O)Nc2ccc(Cl)cc2C)cc1 28209512 YIWCNBJNULNOSH-QGZVFWFLSA-N 406.891 3.275 0 40 HGAB COCCOc1ccc(CNS(=O)(=O)c2ccc(C)cc2Br)cc1 30436702 NNMIMTINFTVEJN-UHFFFAOYSA-N 414.321 3.261 0 40 HGAB CCOc1ccccc1NS(=O)(=O)c1cc(C(=O)O)sc1Br 32586482 ABOTXIBOEYKHSK-UHFFFAOYSA-N 406.279 3.408 0 40 HGAB CN(C)[C@H](CNC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1)c1cccc(F)c1 32795272 LPUZKUBQUBNCIT-DNVCBOLYSA-N 403.885 3.251 0 40 HGAB O=C(CCC(=O)c1ccc2c(c1)OCCO2)OCc1nc(-c2cccs2)no1 32837005 AJKCZHPRCCIHQL-UHFFFAOYSA-N 400.412 3.276 0 40 HGAB Cc1nc2c3ccccc3nc(S[C@@H](C)C(=O)N3CC(=O)Nc4ccccc43)n2n1 32871559 XLZLQTJQOOAULW-LBPRGKRZSA-N 418.482 3.052 0 40 HGAB CC(C)c1ccc(CN2CCN(C(=O)C3CCN(c4ncccn4)CC3)CC2)cc1 32928337 ABEGBBIBPMIWIC-UHFFFAOYSA-N 407.562 3.161 0 40 HGAB COc1cc(OC)c(NC(=O)CSCc2cc(=O)n3ccccc3n2)cc1Cl 33026686 XPGWWBUAPHPMSR-UHFFFAOYSA-N 419.890 3.237 0 40 HGAB C/C=C(/C)C(=O)O[C@H]1C(C)=C[C@]23C(=O)[C@@H](C=C(C)[C@@H](O)[C@]12O)[C@H]1[C@@H](C[C@H]3C)C1(C)C 33988664 UQOWJJGOQJONCI-MZRDIQIISA-N 414.542 3.360 0 40 HGAB biogenic CCn1cc(C(=O)N2CCN(c3ccccc3OC)CC2)c(=O)c2cc(C)ccc21 34626527 JNVPACSQFKHHMI-UHFFFAOYSA-N 405.498 3.301 0 40 HGAB O=C(Cn1cnc2c([nH]c3ccccc32)c1=O)NCc1ccc(C(F)(F)F)cc1 35423756 RBSGOWRCDKGCRL-UHFFFAOYSA-N 400.360 3.213 0 40 HGAB O=C(O)c1cccc(NC(=O)c2cc3c([nH]c2=O)C[C@@H](c2ccccc2)CC3=O)c1 35506359 XKEJKFFMFVKVFV-OAHLLOKOSA-N 402.406 3.238 0 40 HGAB O=C(Nc1nc(CC(=O)N2CCn3c2nc2ccccc23)cs1)c1ccsc1 36657898 NPVUXTXDJDTNGE-UHFFFAOYSA-N 409.496 3.396 0 40 HGAB COc1ccccc1[C@@]1(O)CCCN(C[C@H](O)c2ccc3c(c2)CCCN3C(C)=O)C1 36741209 LFWQSCDXWXCRGA-UKILVPOCSA-N 424.541 3.011 0 40 HGAB O=C([C@@H]1C[C@@H]1c1cccs1)N1CCN(C(=O)C2(c3ccccc3)CCOCC2)CC1 38730723 LUQMEBVOJGTUPZ-VQTJNVASSA-N 424.566 3.271 0 40 HGAB CCN(CC(=O)N1CCC(Cc2ccccc2)CC1)S(=O)(=O)c1ccc(F)cc1 39985770 ACBGQEWSMFHENA-UHFFFAOYSA-N 418.534 3.318 0 40 HGAB CCCS(=O)(=O)Nc1ccccc1C(=O)NCc1cccc(NC(=O)C(C)C)c1 40157227 HULXHPMVHPNSNW-UHFFFAOYSA-N 417.531 3.363 0 40 HGAB O=C1C[C@@H](C(=O)NC2CCCCC2)c2c(nc(Nc3cccc(Cl)c3)[nH]c2=O)N1 40399430 NSFDZYRHRNFSEQ-CQSZACIVSA-N 415.881 3.042 0 40 HGAB C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(Br)cc1 54200536 YLYWJJDIAICPNN-SNVBAGLBSA-N 417.712 3.408 0 40 HGAB COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)c2[nH]c3ccc(Cl)cc3c2Cl)C1 57322666 IEYIZXJCQYKZGT-VXGBXAGGSA-N 412.317 3.478 0 40 HGAB CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(CN2CCOCC2)c1 58459195 VNYSFDIFIYTAOW-FQEVSTJZSA-N 419.566 3.074 0 40 HGAB COc1cc(/C=C/C(=O)NCC(=O)O)ccc1OCc1ccc(Br)cc1 62715746 LVMZAQCOUPOKMP-WEVVVXLNSA-N 420.259 3.251 0 40 HGAB CN(C)c1ccc(NC(=S)NC[C@H]2C[C@@H]3CCN2C[C@@H]3CN2CCCCC2)cc1 67870766 DJJXGXPCDSDIIW-CNNODRBYSA-N 415.651 3.235 0 40 HGAB biogenic,in-vitro COC(=O)[C@@H](Cc1c[nH]c2ccc(Br)cc12)NC(=O)[C@H]1CC=CCC1 72306766 UQNTXBVDFKCBID-YVEFUNNKSA-N 405.292 3.487 0 40 HGAB CC(C)(C)OC(=O)N(CC(=O)NCc1nc2ccccc2s1)C[C@H]1CCCO1 78876963 FYONFUGRVNOEKZ-CQSZACIVSA-N 405.520 3.329 0 40 HGAB CC(C)CN1Cc2cccc(NC(=O)CNC(=O)c3ccc(Br)o3)c2C1 95431481 HQQHZHJHJNMTMY-UHFFFAOYSA-N 420.307 3.382 0 40 HGAB CN(C)CC[C@@H](NC(=O)c1ccc(NS(=O)(=O)C(F)(F)F)cc1)C(C)(C)C 96012413 VBYGVDUSPUMFAX-CQSZACIVSA-N 409.474 3.044 0 40 HGAB COc1ccc([C@H]2CC(=O)c3cnc4[nH]n(-c5nc(C)cc(C)n5)c(=O)c4c3C2)cc1 100137668 LANIAKUPFZZNJA-OAHLLOKOSA-N 415.453 3.042 0 40 HGAB CN1C(=O)COc2ccc(C(=O)CSc3nnc4c(n3)[C@@]3(C)CC[C@H]4C3(C)C)cc21 100484997 WGOGWCZKZMGIES-MCMMXHMISA-N 424.526 3.377 0 40 HGAB Cc1ccc(S(=O)(=O)N2CC[C@]3(C[C@H]3C(=O)Nc3cccc(F)c3)C2)cc1F 107233762 FDNZPUABTONHLN-PXNSSMCTSA-N 406.454 3.313 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(C)cc3)C2)cc1OC 107715419 VQPOQOGUDWIYMR-MRXNPFEDSA-N 418.515 3.052 0 40 HGAB Cc1cccc(N([C@@H](C)C(=O)N[C@@H](C)COc2ccccc2C)S(C)(=O)=O)c1 220149298 WUMSUVHYPKFRKQ-ROUUACIJSA-N 404.532 3.042 0 40 HGAB CC[C@H](C(=O)N[C@@H](C)c1ccc(OC)cc1)N(c1cccc(OC)c1)S(C)(=O)=O 220630727 AFEBDUFPSLTSLS-MGPUTAFESA-N 420.531 3.126 0 40 HGAB COc1ccc(CN(C(=O)Cc2ccccc2)[C@H](C)C(=O)NCc2cccnc2)cc1 222990225 PNVYNGGGODTOMR-LJQANCHMSA-N 417.509 3.366 0 40 HGAB CC(C)Oc1cccc(NS(=O)(=O)c2nnc(NC(=O)c3ccccc3)s2)c1 223552635 UXRJYZAFBPSZEZ-UHFFFAOYSA-N 418.500 3.378 0 40 HGAB C[C@]12CC[C@@H](CNC(=O)c3ccc(O)nc3)[C@H](O)[C@](C)(C[C@@H](c3ccccc3)C1)O2 257320301 VWDNTRDKDLWVJP-NZAKSXKKSA-N 410.514 3.400 0 40 HGAB Cc1ccc(N([C@H](C)C(=O)NCCOc2ccccc2Cl)S(C)(=O)=O)cc1C 260796093 UBSUAYSHGBQNGG-MRXNPFEDSA-N 424.950 3.307 0 40 HGAB CCCCOC(=O)c1ccc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(F)cc2)cc1 408583725 JIGXVGSZQMLEBQ-CQSZACIVSA-N 422.478 3.088 0 40 HGAB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)O)c1cccc(C(F)(F)F)c1 408597215 XXWQXBCZBMLRGF-UHFFFAOYSA-N 403.378 3.302 0 40 HGAB CCCCc1ccc(NC(=O)COc2ccc(CN(C)S(C)(=O)=O)cc2)cc1 408706364 HABUNFFYIHJOKN-UHFFFAOYSA-N 404.532 3.438 0 40 HGAB CC[C@@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Nc1cc(OC)ccc1OC 408999312 QTNDYAZDHYKITH-QRWLVFNGSA-N 420.531 3.344 0 40 HGAB Cc1cc(C)cc(NC(=O)CSc2nnc(CNC(=O)c3cccc(C)c3)n2C)c1 409061418 ZPZFPLZZSUAWBB-UHFFFAOYSA-N 423.542 3.401 0 40 HGAB CCCN1C(=O)S/C(=C\c2cn(CC(=O)NCCCOC)c3ccccc23)C1=O 409140302 DLWPZTXKYIUQLF-PDGQHHTCSA-N 415.515 3.240 0 40 HGAB COC(=O)CN1C(=O)S/C(=C/c2cccc(Oc3nc(Cl)ncc3F)c2)C1=O 409172823 LQWKHRIPOBROKS-WUXMJOGZSA-N 423.809 3.271 0 40 HGAB COc1ccc(C)cc1S(=O)(=O)N1CCC[C@H](C(=O)N[C@H](C)c2ccccc2)C1 409390956 YYYGMHMGFJVETH-MJGOQNOKSA-N 416.543 3.282 0 40 HGAB O=C(c1cn(Cc2ccccc2)nn1)N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 542987443 JZORBRUXSVNASH-OAHLLOKOSA-N 404.396 3.019 0 40 HGAB COc1ccc(C(=O)N2CC[C@H](c3ccccc3Cl)S(=O)(=O)CC2)c(OC)c1 585397156 LFOUFKXRHJKLBS-LJQANCHMSA-N 423.918 3.359 0 40 HGAB O=C(c1c(F)cccc1Cl)N1CCC(Cn2nc3c(cc2=O)CCCC3)CC1 1775967637 ZBFGGXHMNLNORB-UHFFFAOYSA-N 403.885 3.467 0 40 HGAB CC(C)n1nccc1CN1CCC[C@]2(CC1)CN(c1ccc(F)cc1)C(=O)CO2 2037988794 INLWZCZUPXUGKE-QFIPXVFZSA-N 400.498 3.391 0 40 HGAB COc1ccc(-n2c(SCC(=O)N3CCCCC3)nnc2-c2cccnc2)cc1 923619 FTLOZWYTLXASRA-UHFFFAOYSA-N 409.515 3.443 0 40 HGAB O=C(Nc1ccccn1)C1=C(c2ccccc2)NC(=S)N[C@@H]1c1cccc(O)c1 956721 AJVDJATYXZKSJI-HXUWFJFHSA-N 402.479 3.356 0 40 HGAB Cc1ccc(NC(=O)COC(=O)[C@H](CC(C)C)N2C(=O)c3ccccc3C2=O)c(C)c1 1916969 NHRZFDGHGXVECV-FQEVSTJZSA-N 422.481 3.496 0 40 HGAB Cc1nnc2sc(-c3ccccc3NC(=S)NC(=O)c3cccc(F)c3)nn12 2227449 OOGQOGVRNFFESZ-UHFFFAOYSA-N 412.475 3.427 0 40 HGAB CC[C@@]1(C)Cc2c(sc3nc(SCC(N)=O)n(-c4ccccc4)c(=O)c23)CO1 2262144 QNHXPXMJEAWARU-FQEVSTJZSA-N 415.540 3.266 0 40 HGAB Cc1ccc(-c2nnc(Cl)c3ccccc23)cc1S(=O)(=O)NC(C)(C)CO 2522300 BHVVXDGGUQMHQF-UHFFFAOYSA-N 405.907 3.308 0 40 HGAB CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)OCc2ccccc2F)c1 3509424 IWJHXRYELYQPDQ-UHFFFAOYSA-N 406.479 3.033 0 40 HGAB CCn1c(SCC(=O)Nc2cc(OC)ccc2OC)nc2c(c1=O)S[C@@H](C)C2 4107953 ASPNZMXIMRUSMX-NSHDSACASA-N 421.544 3.048 0 40 HGAB CC(=O)c1cccc(-n2nnnc2SCC(=O)Nc2nc3ccccc3s2)c1 4231587 SYRZWQBQBBLCOE-UHFFFAOYSA-N 410.484 3.205 0 40 HGAB COc1cccc(NC(=O)c2ccc(NC(=O)[C@@H]3[C@H]4C(=O)O[C@@H]5C[C@H]3C[C@H]45)cc2)c1 4520194 XGZYSVKKFIHUNY-UQSIQIAASA-N 406.438 3.084 0 40 HGAB Cc1ccc(NC(=O)COCC(=O)N2CCN(c3ccccc3F)CC2)cc1Cl 4711162 LVPYIXBBWCUGTF-UHFFFAOYSA-N 419.884 3.091 0 40 HGAB COc1ccccc1N1CCN(C(=O)[C@@H](CC(C)C)NC(=O)C2CCCCC2)CC1 4747601 PVGVHFYEDQWWRT-HXUWFJFHSA-N 415.578 3.455 0 40 HGAB O=C(CCS(=O)(=O)c1ccc(F)cc1)Nc1nnc(-c2ccc(Cl)cc2)o1 5189664 PHVSNUVTFRBUIN-UHFFFAOYSA-N 409.826 3.332 0 40 HGAB COc1ccc(NC(=O)CSc2nnc(-c3cccnc3)n2-n2cccc2)cc1 5242383 UCPHQBFOODIBME-UHFFFAOYSA-N 406.471 3.192 0 40 HGAB CC[C@H]1CN(C(=O)Nc2cccc(OC)c2)CC[C@H]1CC(=O)N[C@@H](CO)CC(C)C 5415461 XBEVSBUYALCNNT-CMKODMSKSA-N 419.566 3.489 0 40 HGAB biogenic,in-vitro Cc1[nH]c2ccccc2c1[C@H]1c2ccccc2C(=O)N1CC(=O)NCCN1CCCC1 6200527 CMOBQVFYJYZYPO-XMMPIXPASA-N 416.525 3.234 0 40 HGAB Cc1ccc(-c2nnn(CC(=O)N3CCC[C@@H]3c3ccc4c(c3)OCCCO4)n2)cc1 6849204 OKRLTYSTDARXCB-LJQANCHMSA-N 419.485 3.174 0 40 HGAB NC(=O)c1c(NC(=O)COC(=O)C2(c3ccc(Cl)cc3)CC2)sc2c1CCC2 7491330 FAFNUYLBXBVZGQ-UHFFFAOYSA-N 418.902 3.203 0 40 HGAB COc1ccccc1CNC(=O)COC(=O)/C=C/c1cccc(Br)c1 7564609 DGJXHIRPZPMNED-MDZDMXLPSA-N 404.260 3.331 0 40 HGAB O=C(NC[C@@H]1CCCO1)c1ccccc1NS(=O)(=O)c1ccc2c(c1)CCCC2 7728518 JNOGHNPXZVHORF-SFHVURJKSA-N 414.527 3.275 0 40 HGAB O=C(c1cccc(-n2cccc2)c1)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 8133863 IPRNLMLCTBLSMH-WOJGMQOQSA-N 421.522 3.236 0 40 HGAB C[C@@H](NC(=O)CN1C(=O)N[C@]2(CCCc3sccc32)C1=O)c1cc2ccccc2o1 8883078 BJQDVNIVNLCPGX-DMZKTXOQSA-N 423.494 3.455 0 40 HGAB Cc1ccc(-n2nnc3c(=O)n(CC(=O)c4ccc(Cl)cc4)cnc32)cc1Cl 8903820 HNMIJNORIGTFQI-UHFFFAOYSA-N 414.252 3.475 0 40 HGAB O=C(CCNS(=O)(=O)c1ccc(Cl)cc1)Nc1nc(-c2ccccn2)cs1 9658166 BIYZPJNPDYHRNX-UHFFFAOYSA-N 422.919 3.166 0 40 HGAB Cc1cccc(CCCNC(=O)CCCN(c2ccc(F)cc2)S(C)(=O)=O)c1 10110829 KVDVYKBEUMFXLT-UHFFFAOYSA-N 406.523 3.429 0 40 HGAB CCOC(=O)Cc1csc(NC(=O)C2CCN(c3nc4ccccc4o3)CC2)n1 10421381 DBYGZORKVKYALL-UHFFFAOYSA-N 414.487 3.245 0 40 HGAB Cc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccc(C)c(Cl)c4)ncn3n2)cc1 11666393 MHRHHALPCAYVJC-UHFFFAOYSA-N 407.861 3.467 0 40 HGAB COc1ccccc1OC[C@H]1CCCN(Cc2cn(CC(N)=O)c3ccccc23)C1 12364381 NAAUMQOQAFDPHD-SFHVURJKSA-N 407.514 3.426 0 40 HGAB O=C(NCCCn1cnc2ccccc21)c1cccc(I)c1 12490264 BQIHAALYVKCQLE-UHFFFAOYSA-N 405.239 3.461 0 40 HGAB COc1ccc(C(=O)C2CCN(C(=O)CNC(=O)c3ccc(Cl)cc3)CC2)cc1 12741750 VYQVUBJSRBHELV-UHFFFAOYSA-N 414.889 3.200 0 40 HGAB CN1C(=O)c2ccc(NC(=O)COc3ccc(C(=O)c4ccccc4)cc3)cc2C1=O 12800531 JEQCHFABRJEXDD-UHFFFAOYSA-N 414.417 3.161 0 40 HGAB CC(=O)NC12C[C@H]3C[C@@H](C1)CC(C(=O)OCC(=O)Nc1ccc(C)c(F)c1)(C3)C2 12998399 YMMHGEUFVURJOI-MBWAJUJLSA-N 402.466 3.091 0 40 HGAB CCc1ccc(CN(C)[C@H](C)C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)cc1 13056043 WUVKBQCIVMOZGK-QGZVFWFLSA-N 417.575 3.267 0 40 HGAB CCNC(=O)NC(=O)COC(=O)c1cc2c(C)nn(-c3ccccc3Cl)c2s1 15186250 PJUKBCYUUXVOMA-UHFFFAOYSA-N 420.878 3.051 0 40 HGAB CCCCn1c(=O)[nH]c(=O)c2c1nc(-c1cccc(OCc3ccccc3)c1)n2C 16044405 PLVVCYCWCMAESX-UHFFFAOYSA-N 404.470 3.469 0 40 HGAB Cc1ccc(-n2nnnc2-c2cnc(NCC(=O)O)nc2-c2ccc(Cl)cc2)cc1 16311554 AREBXTKLJLRALC-UHFFFAOYSA-N 421.848 3.245 0 40 HGAB Cc1cccc(-c2ccc(C[C@H]3CN(C(=O)Cc4cccnc4)CCNC3=O)cc2)c1 19235412 BTZIHYDDSQZFQV-DEOSSOPVSA-N 413.521 3.417 0 40 HGAB Cn1ccnc1-c1c(-c2ccc(Cl)cc2)cnn1CCNC(=O)[C@@H]1CCCCO1 19291737 NRJXJQLLYBWRTD-SFHVURJKSA-N 413.909 3.289 0 40 HGAB NC(=O)[C@@]1(Cc2ccc(-c3cccs3)cc2)CN(C(=O)c2ccccc2)CCO1 19368894 YVWZSVZRZMXTDD-HSZRJFAPSA-N 406.507 3.354 0 40 HGAB c1ccc([C@@H](c2nnnn2Cc2cccs2)N2CCN(C3CCCC3)CC2)cc1 19369678 KOWCBGMLPKRVKM-NRFANRHFSA-N 408.575 3.433 0 40 HGAB O=C(c1ccc2c(c1)N(CC(=O)N1CCc3ccccc31)C(=O)CO2)c1cccs1 19375409 GSCWFZOSNLSCCA-UHFFFAOYSA-N 418.474 3.294 0 40 HGAB COc1cc(CN2CCC(c3ncc(Cl)cc3S(C)(=O)=O)CC2)ccc1O 19550046 BEAIGKWLDNLYGY-UHFFFAOYSA-N 410.923 3.232 0 40 HGAB Cc1nc([C@@H]2CCCCN2C(=O)CCc2nnc(C(C)C)o2)nc2c1CCCN2C 19706813 YLZNVINJPHTGQK-KRWDZBQOSA-N 412.538 3.360 0 40 HGAB CCC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(OC)c(C)c1 20009057 WAINHJOGCVZNPG-YLJYHZDGSA-N 418.559 3.198 0 40 HGAB CCOC(=O)c1c(NC(=O)CN2CCN(CC)CC2)sc(C)c1-c1ccccc1 21548825 RYMJIBBCRFSQIA-UHFFFAOYSA-N 415.559 3.476 0 40 HGAB COc1ccccc1NC(=O)c1ccc(NC(=O)COC(=O)c2c(C)noc2C)cc1 21637104 MRJKAYGPFSFRLS-UHFFFAOYSA-N 423.425 3.348 0 40 HGAB COc1ccc(OC)c(NC(=O)COC(=O)C2(CC(=O)NC(C)(C)C)CCCC2)c1 21730547 CLAUAHIQEICQPY-UHFFFAOYSA-N 420.506 3.051 0 40 HGAB CCOc1ccc(CCC2CCN(C(=O)CN3C(=O)[C@H]4CC=CC[C@@H]4C3=O)CC2)cc1 22131068 OTLZTLZZIRUJFP-VXKWHMMOSA-N 424.541 3.208 0 40 HGAB Cc1ccc(CN2C[C@H](C(=O)Nc3nc(CN4CCCCC4)cs3)CC2=O)cc1 22238200 SGIVTTMZTUDHNQ-GOSISDBHSA-N 412.559 3.425 0 40 HGAB CCOc1ccccc1N(CC(=O)N[C@H](CC)c1ccc(OC)cc1)S(C)(=O)=O 22333095 FVITWTOREIVFFZ-GOSISDBHSA-N 420.531 3.127 0 40 HGAB COc1ccc(CCCNC(=O)CN(c2ccccc2C(C)C)S(C)(=O)=O)cc1 22401252 GYRIHOAUUBACEV-UHFFFAOYSA-N 418.559 3.334 0 40 HGAB COc1cc2c(cc1OC)CN([C@@H]1CC(=O)N(c3cccc(Cl)c3C)C1=O)CC2 22609383 NVDKPSOQHMOHRC-GOSISDBHSA-N 414.889 3.356 0 40 HGAB CCOC(=O)c1c(NC(=O)c2ccnn2C)sc2c1CCN(Cc1ccccc1)C2 23128145 FQYGVPKIYFMMSB-UHFFFAOYSA-N 424.526 3.469 0 40 HGAB CCN(CC)S(=O)(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 23994975 RHEPVRAYIMNLAJ-UHFFFAOYSA-N 423.529 3.258 0 40 HGAB COc1cccc(-n2ccnc2SCc2nc3cc(OC)c(OC)cc3c(=O)[nH]2)c1 26044954 BIZYJYQNSKCQGL-UHFFFAOYSA-N 424.482 3.427 0 40 HGAB C[C@@H]1CCCC[C@]12NC(=O)N(CN(Cc1ccc(C(=O)NC3CC3)cc1)C1CC1)C2=O 27539127 UGRAGBZLSPGRPL-GYCJOSAFSA-N 424.545 3.001 0 40 HGAB COc1ccc(CSc2nnc(Nc3cccc(C)c3C)c(=O)n2N)cc1OC 28536034 IXFQPIPCHMZMHW-UHFFFAOYSA-N 413.503 3.022 0 40 HGAB O=C1Nc2ccccc2O[C@H]1CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 29471806 KXJOYHKIBBEHMJ-UWJYYQICSA-N 408.454 3.301 0 40 HGAB Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N[C@@H](C)c1ccc(CC(C)C)cc1 30020200 OQIWYFWAFMNOKT-ZFWWWQNUSA-N 407.536 3.034 0 40 HGAB Cc1cccc(N2CCN(C(=O)c3ccc(N4C[C@H](C)O[C@H](C)C4)nc3)CC2)c1C 30040399 NVVGOMAVWCNELU-KDURUIRLSA-N 408.546 3.274 0 40 HGAB O=C1c2ccccc2-c2nn(CN3CCN(Cc4ccncc4)CC3)c3cccc1c23 32803755 ZPMRKCRAAAXLKR-UHFFFAOYSA-N 409.493 3.418 0 40 HGAB Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(C(C)(C)C)cc2)C1 32831304 QEWYATVFSRXBJK-INIZCTEOSA-N 418.563 3.363 0 40 HGAB CN1CCN(C(=O)c2cccc(CN3C(=O)CSC3=O)c2)[C@H](c2ccccc2)C1 32909523 FMRFZXSHPDHBDE-IBGZPJMESA-N 409.511 3.011 0 40 HGAB CC(C)NC(=O)CN1CCC(NS(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1 32934624 ASBMOTGVOGQMGZ-UHFFFAOYSA-N 421.607 3.002 0 40 HGAB CC(=O)Nc1ccc([C@@H]2C(C(=O)Nc3ccccc3C)=C(C)Nc3ncnn32)cc1 35507614 KPDQRGMXNOWGJT-HXUWFJFHSA-N 402.458 3.473 0 40 HGAB COc1cccc(-c2noc3nc(C)cc(C(=O)NCc4c(C)nn(C)c4C)c23)c1 36619251 PJDOOHKHBUTDOP-UHFFFAOYSA-N 405.458 3.487 0 40 HGAB C[C@@H](OC(=O)C1=NN(c2ccc(F)cc2)[C@H](C(N)=O)C1)c1nc2ccccc2s1 40062697 PMFQXSDFWLOLAQ-BZNIZROVSA-N 412.446 3.160 0 40 HGAB O=C(NC[C@H]1COc2ccccc2O1)c1cnn(-c2ccc(Br)cc2)c1 44288602 KQHXVAHBCRAUHA-INIZCTEOSA-N 414.259 3.205 0 40 HGAB CCN(Cc1cccc(NC(=O)NCCc2cc(F)cc3c2OCOC3)c1)C(C)=O 47867888 OKQWNHZRLJZGQD-UHFFFAOYSA-N 415.465 3.425 0 40 HGAB CN(Cc1ccccc1N1CCOCC1)C(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 48345048 KUQJAYSBURNJJH-IBGZPJMESA-N 417.550 3.129 0 40 HGAB CC(C)[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NCC(C)(C)CN(C)C 49946135 PMHZKBOQPBINQX-INIZCTEOSA-N 402.366 3.452 0 40 HGAB O=C(NCCc1cccs1)N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1 54045924 ZQJUYDYKKIDLIU-UHFFFAOYSA-N 401.576 3.361 0 40 HGAB O=C(CN1CCN(C(=O)/C=C/c2ccc(F)c(Cl)c2)CC1)Nc1ccc(F)cc1 57452435 DNDCCZKMZKDVIL-KRXBUXKQSA-N 419.859 3.414 0 40 HGAB COc1ccc(-c2ccc(=O)n(CC(=O)Nc3cccc(SC)c3)n2)cc1OC 61720000 ULJXIQRTFNBADZ-UHFFFAOYSA-N 411.483 3.288 0 40 HGAB C[C@](O)(CCc1ccccc1)CNC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 61975830 CMHRYPYBKYLLAX-VGSWGCGISA-N 400.906 3.193 0 40 HGAB O=C1CN(CCC2=CCCCC2)[C@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(Cl)c1 63376337 XLHJQCZCIDORPS-OALUTQOASA-N 408.951 3.045 0 40 HGAB COc1cccc(-c2cn(C)c3c(=O)n(CC(=O)Nc4cccc(C)c4)cnc23)c1 67235523 RMIYSQVLXXLKAA-UHFFFAOYSA-N 402.454 3.358 0 40 HGAB O=C(NC[C@@H](O)c1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc(F)c(Cl)c1 70640239 BNSXDANQQXSNCB-CQSZACIVSA-N 404.747 3.286 0 40 HGAB Cc1ccc(N2CCC(CNS(=O)(=O)c3ccc(OCC(C)C)cc3)CC2)nn1 70922859 QKLYIYFDFPVPGC-UHFFFAOYSA-N 418.563 3.015 0 40 HGAB O=C(CSc1ccc(F)c(F)c1)N[C@@H]1CC(=O)N([C@H]2C[C@@H]2c2ccccc2)C1 72303281 GJXSLVIYNBDVTB-OGWOLHLISA-N 402.466 3.330 0 40 HGAB COc1cc(NC(=O)[C@H]2CCCN(c3ccc(-c4ccc(Cl)cc4)nn3)C2)ncn1 77200583 CMKNHGKUZYYSKE-HNNXBMFYSA-N 424.892 3.451 0 40 HGAB COc1ccc([C@@H](c2nnnn2C2CCCC2)N2CCC(C(=N)O)CC2)c(OC)c1 82055961 QQZZDZQSIIKNBJ-IBGZPJMESA-N 414.510 3.142 0 40 HGAB CCC[C@@H](NC(=O)C1CCN(C(=O)c2ccc(OC)c3ccccc23)CC1)C(=O)O 95991856 FNCCQQHRJUPGGY-LJQANCHMSA-N 412.486 3.070 0 40 HGAB CC(C)n1cnc2c(N3CCCC3)nc(C3CCN(C(=O)c4ccnnc4)CC3)cc21 96100000 LMXWHSOGRCSOMC-UHFFFAOYSA-N 419.533 3.422 0 40 HGAB COc1cccc(/C=C(\C(=O)OCc2nc(Cl)ccc2Cl)n2nnnc2C)c1 96189856 HHUJZXQLXMNSBS-CXUHLZMHSA-N 420.256 3.433 0 40 HGAB CCCC(=O)Oc1ccc([C@H](c2c(O)n[nH]c2C)c2c(C)n[nH]c2O)cc1OC 96193568 WZYAXDHWVSRWOK-UHFFFAOYSA-N 400.435 3.055 0 40 HGAB COc1ccc(Br)c(C(=O)NC[C@H](OCCO)c2ccc(C)cc2)c1 96337867 VRQGQGMQOGRJNN-SFHVURJKSA-N 408.292 3.246 0 40 HGAB COc1cc(OC)cc(N2N=N[C@@H]3C(=O)N(c4ccc(C)c(Cl)c4)C(=O)[C@@H]32)c1 101260366 XQSXTUQTFFYQMU-DLBZAZTESA-N 400.822 3.163 0 40 HGAB CCOC(=O)[C@H](Cc1ccc(I)cc1)NC(=O)OC(C)(C)C 115259729 QYCIEEAEVUVRJX-ZDUSSCGKSA-N 419.259 3.290 0 40 HGAB O=C(/C=C/c1ccc2c(c1)OCO2)N[C@H]1CCN(c2ccc(C(F)(F)F)cn2)C1 206786406 SCPOQCQEPUOLRT-XCWSRWAASA-N 405.376 3.237 0 40 HGAB CCc1ccc(N([C@@H](C)C(=O)NCCCc2ccccc2OC)S(C)(=O)=O)cc1 220283047 ZJAOFUWZPDVENJ-KRWDZBQOSA-N 418.559 3.161 0 40 HGAB CCOc1ccccc1N(CCCC(=O)Nc1cccc(C(C)=O)c1)S(C)(=O)=O 222612412 RCQRHENZMUNSSB-UHFFFAOYSA-N 418.515 3.473 0 40 HGAB COCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)Cc1ccc(Cl)cc1 222995932 NACHVBFLOQGMSO-MRXNPFEDSA-N 418.921 3.071 0 40 HGAB CCc1ccc([C@H](C)NC(=O)[C@@H](C)N(c2ccc(OC)cc2)S(C)(=O)=O)cc1 223144692 CJBOVHLMLYFMAY-JKSUJKDBSA-N 404.532 3.290 0 40 HGAB CCOc1cccc(CN(C)S(=O)(=O)c2ccc(OC)c(N3CCCC3=O)c2)c1 223888649 MLNMXNOPVILUOH-UHFFFAOYSA-N 418.515 3.041 0 40 HGAB CC[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)c1ccccc1 225487199 CTPRJFVQNUVDAG-FQEVSTJZSA-N 404.507 3.494 0 40 HGAB CCOc1ccc2c(c1)OC1(CCN(S(=O)(=O)c3ccccc3)CC1)CC2=O 225820987 SMTYGDNPGOMRCD-UHFFFAOYSA-N 401.484 3.274 0 40 HGAB O=C(COc1ccc(F)cc1)NC[C@H]1CC[C@H](c2nnc(-c3cnccn3)o2)CC1 257202215 AKYCCJYEYHAOED-SHTZXODSSA-N 411.437 3.135 0 40 HGAB CC(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)c1cc(O)nc(-c2ccccc2)n1 257264095 LSXBAVZILCHCTC-QLBZUPSYSA-N 420.513 3.243 0 40 HGAB COc1cccc(O[C@H]2CCN(C(=O)COc3cccc4cccnc34)CC[C@@H]2O)c1 257286739 PMVLEHWCKUKZAJ-SFTDATJTSA-N 422.481 3.053 0 40 HGAB CCc1onc(C)c1-c1cccc([C@H]2CN(C(=O)c3n[nH]c4c3CCC4)CCO2)n1 257306706 SVLRGLZVDALTGS-LJQANCHMSA-N 407.474 3.033 0 40 HGAB CC[C@@H](NC(=O)[C@H](C)Oc1ccc(N(C)S(C)(=O)=O)cc1)c1ccccc1C 260773048 ZACAQTMKKDTCSU-OXJNMPFZSA-N 404.532 3.426 0 40 HGAB O=C(Cc1ccccc1Br)NCc1nnc2n1CC[C@H](C(F)(F)F)C2 390829402 DZAITOFYXKUIGZ-NSHDSACASA-N 417.229 3.024 0 40 HGAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccccc2F)cc1Cl 408602052 HOWYBGDYQCIGHX-LLVKDONJSA-N 400.859 3.183 0 40 HGAB O=C(COC(=O)CCS(=O)(=O)c1cc(Cl)ccc1Cl)Nc1ccccc1 408647527 UJMAZGFZCYJJSU-UHFFFAOYSA-N 416.282 3.339 0 40 HGAB Cc1cccc(-n2cccc2/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)c1 409214825 YKFDVZCOIYPPJZ-DEDYPNTBSA-N 418.428 3.456 0 40 HGAB O=C(N[C@@H]1CCC[C@H]1Cc1ccccc1)C(=O)N(CCO)[C@@H]1CCc2ccccc21 502951919 VKXBOWQEPFASSI-MDNUFGMLSA-N 406.526 3.022 0 40 HGAB CN1C(=O)c2cc(C(F)(F)F)ccc2O[C@H]2CN(C(=O)NC3CCCCC3)C[C@H]21 514288643 KVPQDMJLCIWMGP-WBVHZDCISA-N 411.424 3.265 0 40 HGAB biogenic,in-vitro CCC[C@@H](C)N1C[C@H]2C(=O)NC3(CCN(C(=O)C4(c5ccc(C)cc5)CC4)CC3)[C@H]2C1 585106196 BNAUKOGZFBJDKF-FCEUIQTBSA-N 423.601 3.254 0 40 HGAB Cn1ccnc1COc1ccc(CN2CCC[C@@](O)(COc3ccccc3)C2)cc1 585270784 QMYIWFHHKVLDBQ-DEOSSOPVSA-N 407.514 3.405 0 40 HGAB COC(=O)C[C@@H](NC(=O)CCOCC(F)(F)F)c1ccc(C(F)(F)F)cc1 1647138620 BPDOYCABUFABTL-GFCCVEGCSA-N 401.303 3.395 0 40 HGAB O=C(N[C@@H]1CS(=O)(=O)Cc2ccccc21)N[C@@H]1CCCc2c(F)cc(F)cc21 1686637150 YQLFBRMATHZKDC-RTBURBONSA-N 406.454 3.311 0 40 HGAB Cc1nc(C(=O)N2CCC[C@@H]3[C@H]2CCCCc2ccccc2OCC(=O)N3C)co1 1848354509 DDHGPUDFUXLNRA-WOJBJXKFSA-N 411.502 3.220 0 40 HGAB Cc1cc(S(=O)(=O)N2CC3(C[C@H](NCC4CC4)CS3)C2)c(C)cc1Cl 2056223744 DDVCNCBJFDQWBW-HNNXBMFYSA-N 400.997 3.205 0 40 HGAB Cc1ccc(/C=C/C(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1Cl 8164617 ZGKKIMVVFGVKTO-MDZDMXLPSA-N 418.946 3.336 0 40 HGAB Cc1c(Cl)cccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 1985854 XKIUJYWHVBFHMC-MRXNPFEDSA-N 400.862 3.179 0 40 HGAB CC(C)(C)c1ccc(OCCCC(=O)NCc2cccc(NS(N)(=O)=O)c2)cc1 32754041 ZDTBLORODKWAAS-UHFFFAOYSA-N 419.547 3.075 0 40 HGAB CCOc1cc2c(cc1NC(=O)[C@H]1CC(=O)N(c3cccc(OC)c3)C1)O[C@H](C)C2 32759197 YEWAWOMXNUMUGH-ZBFHGGJFSA-N 410.470 3.409 0 40 HGAB COCCCn1c(SCC(=O)NCc2cccs2)nnc1-c1ccoc1C 4860846 HUFGNRMGDLNAQE-UHFFFAOYSA-N 406.533 3.353 0 40 HGAB COc1ccc(N(CC(=O)NC2CC2)S(=O)(=O)c2c(C)cc(C)cc2C)cc1 2643001 WRJIVNFASYMFIZ-UHFFFAOYSA-N 402.516 3.094 0 40 HGAB Cc1ccc(OCc2nnc(SCC(=O)N3CCCc4ccccc43)n2N)c(C)c1 7934345 VZGDJZZRSMVTFB-UHFFFAOYSA-N 423.542 3.259 0 40 HGAB CCOC(=O)c1c(NC(=O)c2cccc(NS(C)(=O)=O)c2)sc2c1CCCC2 10112712 PCUBYXIIIRHTIV-UHFFFAOYSA-N 422.528 3.427 0 40 HGAB CCc1ccc(N(CC(=O)N2CCCC2)S(=O)(=O)c2cc(C)ccc2OC)cc1 10300671 NSZIMALSIQTJEH-UHFFFAOYSA-N 416.543 3.384 0 40 HGAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)C[C@@H](NC(N)=O)c1ccc(Cl)cc1 8312615 XHHHPFUTZZFJFL-QGZVFWFLSA-N 416.909 3.153 0 40 HGAB O=C(CN(c1ccccc1F)S(=O)(=O)c1cccs1)NCCc1ccccc1 22378118 UBXXHVWCLKLMNU-UHFFFAOYSA-N 418.515 3.441 0 40 HGAB COC(=O)c1sc2ncn3nc([C@@H](C)n4cc(Br)cn4)nc3c2c1C 2803923 UCOGOVDTJQJUOM-MRVPVSSYSA-N 421.280 3.002 0 40 HGAB COc1cc(CNC[C@H](CN(C)C)[C@H](O)c2ccccc2)cc(OC)c1OC(F)F 58050987 NFTJQPXUGMNBKM-YLJYHZDGSA-N 424.488 3.306 0 40 HGAB COc1ccc(NC(=O)[C@@H]2CCCN2C(=O)Nc2cccc(-c3nnco3)c2)cc1 47487321 UZJIOPKAOJDJDG-SFHVURJKSA-N 407.430 3.380 0 40 HGAB O=C(CCCN1C(=O)c2ccccc2C1=O)NCc1nc(-c2ccc(Cl)cc2)no1 9194214 MSIMOLVVZLCYGY-UHFFFAOYSA-N 424.844 3.083 0 40 HGAB CCN(CC)C(=O)c1cccc(NC(=O)CCNC(=O)Nc2ccc(OC)cc2)c1 25444171 XIRSITXSRSIBBN-UHFFFAOYSA-N 412.490 3.328 0 40 HGAB CCCn1c(SCC(=O)NCC(C)(C)N2CCOCC2)nc2cc(Cl)ccc21 22133848 MDZMTSDDZSHPMT-UHFFFAOYSA-N 424.998 3.419 0 40 HGAB Cc1c(C)c2ccc(O[C@H](C)C(=O)N[C@@H](Cc3ccccc3)C(=O)O)c(C)c2oc1=O 2098513 XZWXSOOCPGIRQF-APWZRJJASA-N 423.465 3.298 0 40 HGAB biogenic COC(=O)c1ccccc1NS(=O)(=O)c1cc(Br)ccc1OC 24100851 POVXCMSEUADXCV-UHFFFAOYSA-N 400.250 3.045 0 40 HGAB CCCCOC(=O)c1cc(NC(=O)CSc2nnc(N)s2)ccc1Cl 409216805 LSRUVBQAASDGNX-UHFFFAOYSA-N 400.913 3.461 0 40 HGAB O=C(NCc1ccc(Cn2cccn2)cc1)c1ccc(I)cc1 12625988 OHCXDOCHTLRHIB-UHFFFAOYSA-N 417.250 3.466 0 40 HGAB O=C1CCc2cc(S(=O)(=O)NCCCCOc3ccc(Cl)cc3)ccc2N1 10517905 CPSGDJIUSRHZRV-UHFFFAOYSA-N 408.907 3.362 0 40 HGAB Cc1cc2oc(=O)cc(CSc3nnc(C4CC4)n3CCC(N)=O)c2cc1Cl 28907834 AJOVBEXSORQWGI-UHFFFAOYSA-N 418.906 3.391 0 40 HGAB COCCOC(=O)c1c(N)n(Cc2ccccc2OC)c2nc3ccccc3nc12 2337055 XYJGLBDZNUVPTA-UHFFFAOYSA-N 406.442 3.027 0 40 HGAB CCCNC(=O)[C@@H](C)OC(=O)c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1 11371690 WOTHEEQLRQSWCB-GFCCVEGCSA-N 402.451 3.206 0 40 HGAB Cc1nnnn1[C@H](Cc1ccc(F)cc1)C(=O)N1CCC(Cc2ccccc2)CC1 48355836 VPTSTPCZCMYDGZ-JOCHJYFZSA-N 407.493 3.386 0 40 HGAB Cc1ccc(NC(=O)CN2CCN(C(=O)N[C@@H](C)c3ccc(F)c(F)c3)CC2)cc1 12813202 WOECQDVIIXDNSO-INIZCTEOSA-N 416.472 3.300 0 40 HGAB O=C(CCc1c[nH]c2ccccc12)N1CCC(NS(=O)(=O)c2cccs2)CC1 12862613 KAMIBTKCKJWXDU-UHFFFAOYSA-N 417.556 3.132 0 40 HGAB O=C(Nc1ccc(-n2cnnn2)cc1)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O 8403557 PFDFMZFDQBBKJQ-OAQYLSRUSA-N 411.421 3.369 0 40 HGAB Cc1cccc(C)c1NC(=O)CSc1nnc(CNC(=O)c2ccccc2)n1C 409174620 VSVHECJIRJYXQP-UHFFFAOYSA-N 409.515 3.093 0 40 HGAB O=S(=O)(c1ccccc1F)N1CCN(Cc2ncc(-c3ccc(F)cc3)o2)CC1 13000885 OKNTZBUFELGGMB-UHFFFAOYSA-N 419.453 3.126 0 40 HGAB COc1ccc(-c2coc3cc(OCC(=O)N4CCC(=O)CC4)ccc3c2=O)cc1 13722565 UHGDGJWXPVAPQG-UHFFFAOYSA-N 407.422 3.039 0 40 HGAB biogenic CCC(=O)Nc1ccc2c(c1)nc(CCN1CCN(c3ccc(F)cc3)CC1)n2C 13817287 AKIIOJFKUGPYLI-UHFFFAOYSA-N 409.509 3.426 0 40 HGAB CN(C)CCNC(=O)c1cc(Cl)c(=O)n(Cc2ccc(Cl)c(Cl)c2)c1 5207891 ZMXHVNJBSKQHEC-UHFFFAOYSA-N 402.709 3.148 0 40 HGAB COCCCn1c(C(=O)N[C@H]2CCCC[C@@H]2C)cc2c(=O)n3cccc(C)c3nc21 5243324 BAWCCJGOXNSHNZ-YJBOKZPZSA-N 410.518 3.303 0 40 HGAB Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1 22018122 PDIZHWYDWRGCDK-UHFFFAOYSA-N 411.421 3.116 0 40 HGAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)c2cc(Cl)nc(Cl)n2)c1 8754485 BPQRQVDMKPRYNS-UHFFFAOYSA-N 403.291 3.066 0 40 HGAB CCc1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(C)c3)C(=O)N2CCOC)cc1 4738810 GLJREUHWKDYJGU-FQEVSTJZSA-N 409.486 3.370 0 40 HGAB CCOc1ccc(N(CC(=O)NCC(C)C)S(=O)(=O)c2ccc(C)cc2)cc1 4995386 DOJNQWBDQDASQJ-UHFFFAOYSA-N 404.532 3.361 0 40 HGAB O=C(Cn1c(=O)cc(-c2nc(-c3ccncc3)no2)c2ccccc21)NC1CCCC1 67318200 CTAVKRFRPPQTRR-UHFFFAOYSA-N 415.453 3.172 0 40 HGAB CCc1cccc(C)c1NC(=O)Cn1c(-c2ccc(F)cc2)nc(C)c(CCO)c1=O 67300965 FBINYFHYEKRHJN-UHFFFAOYSA-N 423.488 3.402 0 40 HGAB C[C@H](NC(=O)CN1C(=O)N[C@@]2(CCCc3sccc32)C1=O)c1cc2ccccc2o1 8883080 BJQDVNIVNLCPGX-WHEQGISXSA-N 423.494 3.455 0 40 HGAB COc1ccc(COC(=O)CCNS(=O)(=O)c2ccc(C(C)C)cc2)cc1F 7234250 WCLILDXZUAWFJH-UHFFFAOYSA-N 409.479 3.370 0 40 HGAB COc1ccc([C@H]2CCCN2C(=O)CCNS(=O)(=O)c2ccc(Cl)cc2)cc1 15623967 HLZXQOWSGWHORB-LJQANCHMSA-N 422.934 3.381 0 40 HGAB COc1ccc(CCN2CN=C(Nc3nc(C)c4cc(C)ccc4n3)NC2)cc1OC 19325457 GYAWZIOZQZAAOC-UHFFFAOYSA-N 420.517 3.095 0 40 HGAB O=C(Cn1nnc(-c2ccsc2)n1)N1CCC(c2nc3ccccc3s2)CC1 8000465 RPMZHPOOFYTQJT-UHFFFAOYSA-N 410.528 3.418 0 40 HGAB C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)c2ccc(-n3cccc3)cc2)C1=O 8132108 JBMHOYBNPHMEIM-HSZRJFAPSA-N 402.454 3.065 0 40 HGAB O=C(CSc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)Nc1ccc(F)cc1F 9507012 AZQRJVWSZKSINX-UHFFFAOYSA-N 413.409 3.118 0 40 HGAB C[C@@H]1Oc2ccccc2N(CCC(=O)N(Cc2cccs2)C[C@H]2CCCO2)C1=O 78958538 RDHXDSHHVVTDDH-DLBZAZTESA-N 414.527 3.460 0 40 HGAB C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1CNC(=O)Nc1nnc(C2CC2)s1 78954145 AWYALKQWMMIZDG-ZYHUDNBSSA-N 411.528 3.298 0 40 HGAB C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(Cc2nc3ccc(Cl)cc3c(=O)[nH]2)C1 95995447 BGEWOMDKKDSXRI-CHWSQXEVSA-N 406.914 3.312 0 40 HGAB O=c1cccc2n1C[C@H]1C[C@@H]2CN(C[C@H](O)COc2ccc(Cl)cc2Cl)C1 34257318 RJIRXXZCCHBEJI-LZWOXQAQSA-N 409.313 3.014 0 40 HGAB O=S1(=O)CC[C@H](Cc2nnc(SCc3ccccc3Br)o2)C1 32776313 HVKJVJVSACEYTD-SNVBAGLBSA-N 403.323 3.102 0 40 HGAB Cc1nc(NC(=O)C2CCC(Cn3c(=O)[nH]c4ccccc4c3=O)CC2)sc1C 36358005 YGTFACWUVMDBDI-UHFFFAOYSA-N 412.515 3.208 0 40 HGAB O=C(O)c1cccc(NC(=O)c2ccc(N3C(=O)[C@@H]4[C@H]5CC[C@@H](C5)[C@H]4C3=O)cc2)c1 409198598 IHJCHGSZQWLYGM-YXUGBTPSSA-N 404.422 3.173 0 40 HGAB Cn1nnc2c(C(=O)NC3(c4ccc(Br)cc4)CCCC3)ccnc21 509610728 XUZHJHNFRHATOQ-UHFFFAOYSA-N 400.280 3.325 0 40 HGAB CCOc1ccc([C@@H](C)NC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)cc1 30852465 ZPBNUBNHNVYYPK-CQSZACIVSA-N 410.923 3.382 0 40 HGAB Cc1cccc(Cc2cc(C)nc([C@@H]3CCCN(C(=O)CCn4cnnn4)C3)c2)c1 72354056 KGEQEUUOFSXEPS-OAQYLSRUSA-N 404.518 3.072 0 40 HGAB O=c1c2sccc2n2c(=O)n(Cc3ccc(F)cc3)nc2n1Cc1cccs1 64946485 CCUCCZVVFQYTPL-UHFFFAOYSA-N 412.471 3.170 0 40 HGAB Cc1ccc(F)cc1NC(=O)CN1N=C(c2nc(-c3ccccc3)no2)CCC1=O 71772323 VIEXHUYAJFVJGA-UHFFFAOYSA-N 407.405 3.149 0 40 HGAB O=C(CSc1c[nH]c2ccccc12)N1CCN(c2cc(C(F)(F)F)ncn2)CC1 225729641 ZGYAVEZUYPNDSS-UHFFFAOYSA-N 421.448 3.418 0 40 HGAB COC(=O)c1cccc(NC(=O)CCCN(c2ccccc2C)S(C)(=O)=O)c1C 222555782 PECUBWPPSPZFAR-UHFFFAOYSA-N 418.515 3.275 0 40 HGAB CCC(=O)Nc1nnc(S(=O)(=O)N[C@@H](c2ccccc2)c2ccc(C)cc2)s1 225792149 LZPAFWCCXDBCPX-KRWDZBQOSA-N 416.528 3.263 0 40 HGAB Cc1ccc(N(CCCC(=O)NCCOc2cccc(C)c2)S(C)(=O)=O)cc1 224628603 ZWXVVNUPTLXBOC-UHFFFAOYSA-N 404.532 3.045 0 40 HGAB COc1cc2c(cc1OC)CN(C(=O)N[C@H](C)C(=O)Nc1cccc(Cl)c1)CC2 80356615 BSSVXFKZUSZYJT-CYBMUJFWSA-N 417.893 3.452 0 40 HGAB C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccccc1C(=O)N1CCOCC1 223131295 OBRYZOCHURJCKU-KRWDZBQOSA-N 408.498 3.444 0 40 HGAB COc1ccc(/C=C/C(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c(OC)c1OC 223840908 OANZTVVIBJJIIV-SSUFTNFISA-N 419.499 3.007 0 40 HGAB C[C@@H]1CCCN(Cc2ccccc2CNC(=O)c2ccc(CS(C)(=O)=O)cc2)C1 40107111 FSZYCOMHSFIOPK-GOSISDBHSA-N 414.571 3.393 0 40 HGAB O=C(c1ccc(C(F)(F)F)cc1)N1CCN(c2ccc(-n3cccc3)nn2)CC1 77101369 ZSDGSPDJZSBNHG-UHFFFAOYSA-N 401.392 3.249 0 40 HGAB COc1ccc([C@H](CC(=O)NCc2cccc3ccccc23)NS(C)(=O)=O)cc1 225953183 AJAVQLDNQVKAMA-NRFANRHFSA-N 412.511 3.145 0 40 HGAB CCSc1nnc(NC(=O)c2ccc(N(CC)S(=O)(=O)CC)cc2)s1 225650963 QNBIBFKUODXXIF-UHFFFAOYSA-N 400.551 3.078 0 40 HGAB O=S(=O)(c1cccs1)N1CC[C@@]2(CCCN(CCOc3ccccc3)C2)C1 96216352 MAAGRQQYLGEBJU-HXUWFJFHSA-N 406.573 3.304 0 40 HGAB Cn1cc(CN2CC[C@@](C)(O)[C@@H](NC(=O)c3ccc(F)cc3)[C@@H]2c2ccccc2)cn1 514289291 HOBGXLKHPMQHCO-WPFOTENUSA-N 422.504 3.056 0 40 HGAB biogenic,in-vitro CN(C)c1cc([C@H]2CCCN2C(=O)C(C)(C)NC(=O)Cc2ccc(F)cc2)ccn1 257285803 PIYINWVNAWXMTL-LJQANCHMSA-N 412.509 3.088 0 40 HGAB CO[C@H]1CCN(CC(=O)Nc2ncc(Cc3ccccc3F)s2)C[C@]12CCCO2 257329624 XKTLYFYXNQXFBZ-GHTZIAJQSA-N 419.522 3.081 0 40 HGAB O=C(Nc1cccc(S(=O)(=O)c2ccccc2)c1)N[C@@H]1Cc2ccccc2NC1=O 1626528473 CNPGPDDBFUWDPM-HXUWFJFHSA-N 421.478 3.204 0 40 HGAB CC(=O)N1Cc2ccc(NC(=O)N[C@H](C)c3cccc(N4CCOC4=O)c3)cc2C1 1116213453 JFKOFGXNTLHPJI-CQSZACIVSA-N 408.458 3.388 0 40 HGAB COc1cc(Br)c2nc(N3CCC(c4ncc[nH]4)CC3)nc(N)c2c1 683184992 IAQLLRJZHXIWHM-UHFFFAOYSA-N 403.284 3.090 0 40 HGAB CC(C)C[C@H](O)C(=O)N1CCC[C@]2(CCCN2c2ncnc3ccsc23)CC1 585100851 YQZRYVQCECSOMQ-UWJYYQICSA-N 402.564 3.450 0 40 HGAB Cc1sc2nc(C(C)C)n([C@@H]3CCCN(CC(=O)NC4CC4)C3)c(=O)c2c1C 12184133 HBLSLWKAJIDTQP-MRXNPFEDSA-N 402.564 3.114 0 40 HGAB CSc1ccc(CN(C)C(=O)c2ccc3c(c2)C[C@@H](C)N3S(C)(=O)=O)cc1 12810189 ATUOFMPNSINXCE-CQSZACIVSA-N 404.557 3.391 0 40 HGAB COc1cc(-c2nnc3sc(-c4ccc5c(c4)OCO5)nn23)cc(OC)c1OC 13566117 SFRFBMICSMRPRJ-UHFFFAOYSA-N 412.427 3.274 0 40 HGAB CCS(=O)(=O)N1CCc2cc(C(=O)Nc3ccc(Br)cc3)ccc21 13610208 NRSNSBKZUVJLOU-UHFFFAOYSA-N 409.305 3.414 0 40 HGAB COc1ccc(C(=O)NC(=S)Nc2ccc3c(c2)OCCO3)cc1Br 17093456 JIBWVEKWLLZODV-UHFFFAOYSA-N 423.288 3.356 0 40 HGAB CN(Cc1cccc(F)c1)C(=O)CCN1C(=O)c2ccc(Br)cc2C1=O 18080790 ODAXQBFRSRYZFD-UHFFFAOYSA-N 419.250 3.233 0 40 HGAB Cc1cnn(CC(=O)N2CCC[C@H](c3cc(C(F)(F)F)c4c(C)noc4n3)C2)c1 19239904 QKNUHDZYAKNVII-ZDUSSCGKSA-N 407.396 3.461 0 40 HGAB CCC(C)(C)n1nnnc1[C@H](c1ccncc1)N1CCN(c2cccc(OC)c2)CC1 19499741 PUBNSXNTKHQXMQ-NRFANRHFSA-N 421.549 3.133 0 40 HGAB CO[C@@H]1CCC[C@@H](C(=O)NCCn2ncc(-c3cnccn3)c2-c2cccs2)C1 19592663 XYLFKVIEJKMYPA-HZPDHXFCSA-N 411.531 3.390 0 40 HGAB COCC(=O)N1CCC[C@H](c2nc(C)c3c(n2)N(CCc2ccccc2)CCC3)C1 19706612 IWUQPWYJZZHIGV-FQEVSTJZSA-N 408.546 3.133 0 40 HGAB COc1ccc(OC)c(CC(=O)Nc2cccc([C@H]3C[C@@H](NC(C)=O)CCO3)c2)c1 19712261 WEKHHWCFTPIUMN-SIKLNZKXSA-N 412.486 3.241 0 40 HGAB Cc1nc([C@H]2CCCN(Cc3ncc[nH]3)C2)nc2c1CCC(=O)N2Cc1ccccc1 19741652 NTZIRZDCRINFRC-IBGZPJMESA-N 416.529 3.367 0 40 HGAB CN(C)c1ncc(-c2ccc(F)cc2)c([C@H]2CCCCN2C(=O)c2cnn(C)c2)n1 19694642 YBEUZUQHCMGNIH-LJQANCHMSA-N 408.481 3.450 0 40 HGAB O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCCN(C2CCSCC2)CC1 575616404 JLQZCDMWWLSCSK-UHFFFAOYSA-N 408.511 3.297 0 40 HGAB COc1cc(NC(=O)COC(=O)CCc2nc3ccccc3s2)cc(OC)c1 3260830 OXAMMJYHBULZPU-UHFFFAOYSA-N 400.456 3.428 0 40 HGAB COc1ccc(-n2c(S)nnc2[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1OC 1889184569 BBFKVIFTZXVYNQ-HNNXBMFYSA-N 410.499 3.089 0 40 HGAB COCC(=O)N1CC[C@@H]2[C@H](C1)[C@@H](c1ccc(OC)cc1)CN2Cc1ccc(F)cc1 1848351928 WNFBPZXHYUXPSS-DNVJHFABSA-N 412.505 3.297 0 40 HGAB COc1ccc(OC)c([C@@H]2CN(Cc3ccccc3)C[C@H]2NC(=O)c2ccncc2)c1 36743734 ODRJVRYPYRMVDJ-XZOQPEGZSA-N 417.509 3.497 0 40 HGAB O=C(CN1CCC[C@@](O)(COc2ccccc2)CC1)Nc1nc2c(s1)CCCC2 2037916148 RGKSIKHRNUORCX-QFIPXVFZSA-N 415.559 3.256 0 40 HGAB CC(C)c1ccc(CN2CCC[C@]3(CC(C(=O)NCCCn4ccnc4)=NO3)C2)cc1 2056226240 NTHSOXPFCPWQTR-DEOSSOPVSA-N 423.561 3.324 0 40 HGAB O=C(Cn1nc(-c2cccc3ccccc23)ccc1=O)Nc1ccc2c(c1)OCCO2 5399740 CKYMAJKGHKIKMD-UHFFFAOYSA-N 413.433 3.473 0 40 HGAB CC(=O)c1cccc(NC(=O)Cn2cnc3c(sc4nc(C)cc(C)c43)c2=O)c1 7364502 CSYZVPCFTGPJMT-UHFFFAOYSA-N 406.467 3.464 0 40 HGAB CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3cc4c(cc3s2)OCCO4)cc1 10253220 JVRCKDFXOLJNQP-UHFFFAOYSA-N 418.496 3.042 0 40 HGAB COc1ccc(NC(=O)COc2cccc3ccc(N4CCOCC4)nc23)c(OC)c1 16944639 RKWYDJSIKPXVQS-UHFFFAOYSA-N 423.469 3.106 0 40 HGAB COC(=O)[C@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)c1cc(Cl)ccc1OC 206797253 RGDKIUWWSOXZGY-CZUORRHYSA-N 407.825 3.323 0 40 HGAB CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)CCN1CCOCC1 19790523 NYSSAKVBQFWOKS-UHFFFAOYSA-N 406.479 3.392 0 40 HGAB Cc1ccc(NC(=O)Cn2c(=O)cc(C(=O)N3CCCC3)c3ccccc32)cc1F 20395456 WFDUZCVSOVQDOJ-UHFFFAOYSA-N 407.445 3.324 0 40 HGAB CN(C)c1ncccc1C(=O)Nc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1 31693508 QATJXBYYTIUNOI-UHFFFAOYSA-N 424.526 3.221 0 40 HGAB O=C(Cn1c(=O)cc(C(=O)N2CCCC2)c2ccccc21)Nc1cc(F)ccc1F 20533815 NCEZNPWPXPXTOH-UHFFFAOYSA-N 411.408 3.154 0 40 HGAB COc1ccc(C2=NO[C@H]3C(=O)N(c4ccc(Cl)cc4Cl)C(=O)[C@H]23)c(OC)c1 101358732 BLVGVUYRANKNAF-NVXWUHKLSA-N 421.236 3.303 0 40 HGAB CS(=O)(=O)c1ccc2nc(NC(=O)c3ccc(N4CCCC4=O)cc3)sc2c1 2630491 NOIZMAHHWDQENR-UHFFFAOYSA-N 415.496 3.079 0 40 HGAB COc1c(Cl)cc(Cl)cc1C(=O)NC(=S)Nc1ccc2[nH]c(=O)[nH]c2c1 1001554 CHNNISAKUMMZOH-UHFFFAOYSA-N 411.270 3.298 0 40 HGAB O=C(NC1CCCCC1)[C@@H](c1ccncc1)N(C[C@H]1CCCO1)C(=O)C(F)(F)F 4083291 ROHLIKBQEIZFMU-IAGOWNOFSA-N 413.440 3.142 0 40 HGAB COc1ccc(OC)c(N2C[C@@H](C(=O)OCC(=O)c3ccc(Cl)cc3)CC2=O)c1 7881550 XDMQBMKGFMQTDG-AWEZNQCLSA-N 417.845 3.136 0 40 HGAB Cc1ccccc1N1C(=O)CN(c2ccc(C(C)(C)C)cc2)[C@H]2CS(=O)(=O)C[C@@H]21 11903799 XAKFXECOXVUNIJ-SFTDATJTSA-N 412.555 3.311 0 40 HGAB CCSc1nnc(C)n1NC(=O)c1cc(Br)ccc1OC(F)F 2792582 UEWUFEGLHREEQY-UHFFFAOYSA-N 407.240 3.446 0 40 HGAB O=C(c1cccs1)[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]2[C@H]2CCCN12 102776157 GSWJGDVCOGRWDV-XBVQOTNRSA-N 400.887 3.237 0 40 HGAB O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccc(O)cc3)[C@H]2C(=O)N1Cc1ccccc1 102708539 POBYBTAFLPYBDN-BHIFYINESA-N 400.434 3.439 0 40 HGAB Cc1ccccc1NC(=O)COC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2C)C1 8039445 MLRIPOIRMHTRKT-HNNXBMFYSA-N 400.862 3.492 0 40 HGAB O=C(NCc1cc(Br)ccc1F)NC[C@H]1CCN(CC(F)(F)F)C1 46926842 RJVYGQQJKYQMCZ-SNVBAGLBSA-N 412.225 3.272 0 40 HGAB CCOC(=O)c1ccc(NC(=O)Cn2c(-c3ccc(F)cc3)nc(C)cc2=O)cc1 57477852 LEMHZHQUCMARKO-UHFFFAOYSA-N 409.417 3.173 0 40 HGAB COc1ccccc1NC(=O)C[C@H]1C(=O)N(C[C@H]2CCCO2)c2nc3ccccc3n21 23382191 ZNTADTSTSTUAAH-BEFAXECRSA-N 420.469 3.140 0 40 HGAB O=C(CCCCc1nc2ccccc2s1)N1CCC[C@@H](C(=O)N2CCOCC2)C1 54827582 HGFQHTOWELZLHT-QGZVFWFLSA-N 415.559 3.107 0 40 HGAB Cc1cc(C(=O)Nc2cc(S(C)(=O)=O)ccc2C)c2nc3n(c2n1)CCCCC3 24828593 DGDYEMQMQHMFTP-UHFFFAOYSA-N 412.515 3.430 0 40 HGAB COc1ccc(NC(=O)CSc2nc3sc(C)c(C)c3c(=O)[nH]2)c(OC)c1 1368243 PYJOVAFPXZFYIF-UHFFFAOYSA-N 405.501 3.349 0 40 HGAB CC(C)c1noc([C@@H](C)Sc2nnc(N3CCOCC3)n2-c2ccccc2)n1 12522103 MSDJENWSKKDTHM-CQSZACIVSA-N 400.508 3.464 0 40 HGAB O=C1N[C@]2(CCOc3ccccc32)C(=O)N1Cc1nc(-c2ccc(Cl)cc2)no1 9861423 BAPLWVBKWSIOIP-FQEVSTJZSA-N 410.817 3.120 0 40 HGAB CCOC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2sc(C)nc2C)CC1 25514616 KFRUCWOJEWUNLB-QGZVFWFLSA-N 421.950 3.476 0 40 HGAB O=C(Nc1nnc(C2CC2)s1)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 3261928 OACKEMDNXWSIRB-KRWDZBQOSA-N 418.478 3.262 0 40 HGAB COc1ccc(OC)c(NC(=O)[C@H]2C[C@@H]3CCCN3[C@]23C(=O)Nc2ccc(C)cc23)c1 57129017 ZKYPGKMQMPADBH-MBSHLRGSSA-N 421.497 3.283 0 40 HGAB NC(=O)c1ccsc1NC(=O)CSc1nnc(-c2cccs2)n1C1CC1 8076435 OVSHUVINBLPECK-UHFFFAOYSA-N 405.530 3.233 0 40 HGAB Cc1ccccc1NC(=O)Cn1c(=O)n(CCc2cccs2)c(=O)c2ccccc21 57473246 ZMTMLDDCZDYYBW-UHFFFAOYSA-N 419.506 3.415 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC(=O)Cc2ccc(C)c(OC)c2)cc1 27102878 JPDADJIHMSXGSA-QGZVFWFLSA-N 418.559 3.454 0 40 HGAB COc1ccc(CCN2C[C@H](C(=O)N(CCC(C)C)C3CC3)CC2=O)cc1OC 58172966 CLTHAHSQZCWTPT-GOSISDBHSA-N 402.535 3.132 0 40 HGAB Cc1cccnc1NC(=O)[C@@H]1CCCN(C(=O)C[C@@H]2Sc3ccccc3NC2=O)C1 58402285 KNESSJQGCZLPAN-QAPCUYQASA-N 424.526 3.070 0 40 HGAB Cc1cc(C)c2oc(C(=O)NC[C@@H](c3ccccc3)N3CCOCC3)cc(=O)c2c1 28289796 QDXKQCSXYCCYKN-FQEVSTJZSA-N 406.482 3.213 0 40 HGAB COc1cccc([C@@H](NC(=O)c2cncc(Br)c2)c2nccn2C)c1 29092782 ZVABBLAMRRXUTK-MRXNPFEDSA-N 401.264 3.106 0 40 HGAB COc1ccc(OC)c([C@@H](C)NS(=O)(=O)c2ccc3c(c2)CCCN3C(C)=O)c1 12946608 OCGJWKYHVDPJMW-CQSZACIVSA-N 418.515 3.042 0 40 HGAB CCN(CC)C(=O)CSc1nc2cc(C(=O)O)ccc2c(=O)n1-c1ccccc1 13034573 JUWUMUGJJXLMAX-UHFFFAOYSA-N 411.483 3.044 0 40 HGAB COc1ccc(Cn2nnnc2SCC(=O)N[C@@H]2CCCc3ccccc32)cc1 8325348 HCJNBCFWAZXELW-LJQANCHMSA-N 409.515 3.016 0 40 HGAB COc1ccc(C2=NN(C(=O)CCC(=O)O)[C@@H](c3cccc(OC)c3OC)C2)cc1 4176791 ZKKRQZBBMDGXJJ-GOSISDBHSA-N 412.442 3.255 0 40 HGAB CSc1ccc(S(=O)(=O)NCc2ccncc2)cc1C(=O)N1CCC(C)CC1 26118658 XMONPUAARUJQOU-UHFFFAOYSA-N 419.572 3.154 0 40 HGAB COc1ccccc1N1CCN(C(=O)c2ccc3nc(NC(C)=O)sc3c2)CC1 13726238 VAGAEXWXIRHGFH-UHFFFAOYSA-N 410.499 3.226 0 40 HGAB COC(=O)c1ccc(Cn2c(-n3nc(C)cc3NC(C)=O)nc3ccccc32)cc1 5343734 UZKYQMWCKKBOQD-UHFFFAOYSA-N 403.442 3.324 0 40 HGAB CCOc1ccc(C(=O)C[C@@]2(O)C(=O)N(C)c3ccc(Br)cc32)cc1 4554992 HRNJCLKSJNCBCN-IBGZPJMESA-N 404.260 3.285 0 40 HGAB CN(Cc1ccsc1)C(=O)/C=C/c1ccc(S(=O)(=O)NCc2ccco2)cc1 14252437 DBMUUHFSUPDRJR-RMKNXTFCSA-N 416.524 3.491 0 40 HGAB Cc1cc(C(=O)CSc2nnnn2-c2cccc(F)c2)c(C)n1C[C@H]1CCCO1 6582880 AQNVFJUWWURSBY-QGZVFWFLSA-N 415.494 3.374 0 40 HGAB C[C@H](C(=O)NC[C@H]1CCCO1)N1C(=O)c2ccccc2[C@H]1c1cn(C)c2ccccc12 4740094 IUYAZMROXCYJOB-QZMQVMSPSA-N 417.509 3.407 0 40 HGAB Cc1cccc(C(C)C)c1NC(=O)[C@H](C)OC(=O)Cc1n[nH]c(=O)c2ccccc12 5754790 OGDDALFZMUFKDP-HNNXBMFYSA-N 407.470 3.468 0 40 HGAB CC(C)NC(=O)CSc1ccccc1C(=O)OCC(=O)Nc1ccccc1F 6882160 LXNYSJTZZIZDNW-UHFFFAOYSA-N 404.463 3.238 0 40 HGAB CS(=O)(=O)c1ccc(C(=O)O[C@H](C(=O)N2CCCCC2)c2ccccc2)cc1 7187038 HIZVOSXDXNLHID-IBGZPJMESA-N 401.484 3.001 0 40 HGAB O=C(CN1CCCCCC1)Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 7339590 XFNLZZYBTKJJCI-UHFFFAOYSA-N 413.971 3.329 0 40 HGAB Cc1coc2cc3oc(=O)c(CC(=O)N4CCN(c5ccccn5)CC4)c(C)c3cc12 8992020 LXAQBNJHHPFUKA-UHFFFAOYSA-N 417.465 3.442 0 40 HGAB O=C1S/C(=C\c2ccccc2F)C(=O)N1CCC(=O)N1CCCC[C@@H]1CCO 9253824 OCUQAWCTDKRJFM-WIZMWCRPSA-N 406.479 3.016 0 40 HGAB CCCN(CCC)C(=O)[C@H]1Sc2nnc(C)n2N[C@H]1c1ccc(OCC)cc1 9239013 LERNXZKFPGBHOC-ROUUACIJSA-N 403.552 3.393 0 40 HGAB COCCn1cc(C(=O)Nc2nc(-c3ccccn3)cs2)c2ccccc2c1=O 72404519 HOCGCGGJQFQKQQ-UHFFFAOYSA-N 406.467 3.419 0 40 HGAB COc1ccc2[nH]cc(CCNC(=O)[C@H]3CCCN(c4nc(C)cc(C)n4)C3)c2c1 79478530 HPSKZZIRZLXWML-SFHVURJKSA-N 407.518 3.159 0 40 HGAB O=S1(=O)c2ccc(-c3ccncc3)cc2[C@@H]2CN(Cc3ccc4c(c3)OCO4)C[C@H]21 306140223 UNHUNLMPYNPRES-WMZHIEFXSA-N 420.490 3.233 0 40 HGAB Cc1ccc([C@H](C)NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)N(C)C)c(C)c1 20487293 BBVKGTJEJNSSMP-IBGZPJMESA-N 417.575 3.410 0 40 HGAB CN(CCC(=O)N1CCN(C(=O)c2cc3sccc3s2)CC1)c1ccncc1 543714476 UQCVPZONBNRDOW-UHFFFAOYSA-N 414.556 3.169 0 40 HGAB CCCNC(=O)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccc(OCC)cc2)C1 27396132 PVYUYVWJFHNUCX-INIZCTEOSA-N 409.486 3.217 0 40 HGAB Cc1cc(C(=O)N2CCO[C@H](c3nnn4cc(-c5ccncc5)ccc34)C2)c(C)o1 306133753 MVAKZVOGLFWZJT-FQEVSTJZSA-N 403.442 3.215 0 40 HGAB CC(=O)[C@@H]1[C@@H](c2cccc(OCc3ccccc3)c2)NC(=O)N[C@]1(O)C(F)(F)F 35025982 CGDZKQMYIUEJMC-ZHALLVOQSA-N 408.376 3.076 0 40 HGAB CCOC(=O)C1=C(CN2C[C@@H](C)C[C@H](C)C2)NC(=O)N[C@@H]1c1ccc(Cl)cc1 55220601 GNKWWMYSQVHRQX-CKFHNAJUSA-N 405.926 3.489 0 40 HGAB COc1ccc(-c2coc3cc(OC(=O)N4CCOCC4)ccc3c2=O)cc1OC 4393937 AJPHWNDUPKGVLQ-UHFFFAOYSA-N 411.410 3.308 0 40 HGAB biogenic CN(CCC1CCOCC1)C(=O)[C@@H]1CCCC[C@H]1C(=O)N(C)CCC1CCOCC1 536389370 FNBNOUJIPMOZCV-FGZHOGPDSA-N 422.610 3.343 0 40 HGAB COc1cccc(C(=O)N2CCC[C@@H](c3nnc4ccc(C(F)(F)F)cn34)C2)c1O 32904422 WETVKMUTFAIHIM-GFCCVEGCSA-N 420.391 3.482 0 40 HGAB CC(C)(C)c1cc(C(=O)N2CCC[C@@H](c3ccnc4nc(C(F)(F)F)nn34)C2)[nH]n1 72334991 HBWRCPHSQYEBJV-LLVKDONJSA-N 421.427 3.184 0 40 HGAB CCOc1ccccc1NC(=O)[C@H](C)N(c1cc(C)ccc1OC)S(C)(=O)=O 220327906 QNJVCEMUALOIPK-HNNXBMFYSA-N 406.504 3.196 0 40 HGAB Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)NC3CCCCCCC3)s2)c1 223689659 KXMABESQKWDPOT-UHFFFAOYSA-N 408.549 3.490 0 40 HGAB CC(C)Cn1cnc2nc(COc3ccccc3NC(=O)c3ccccc3)cc(=O)n21 41076905 QRJDFRVCUQHWHV-UHFFFAOYSA-N 417.469 3.378 0 40 HGAB CCSc1nnc(NC(=O)[C@H](C)N(c2ccc(C)c(C)c2)S(C)(=O)=O)s1 223554450 OUIBSMBDWGXYBA-LBPRGKRZSA-N 414.578 3.060 0 40 HGAB COc1ccc(C)cc1N([C@H](C)C(=O)N[C@@H](C)c1ccc(C)cc1)S(C)(=O)=O 220347311 YVSOAMKZBWBDRF-DLBZAZTESA-N 404.532 3.344 0 40 HGAB CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCc1ccc(Cl)cc1 223347236 UXSCVINDZBOSFB-SFHVURJKSA-N 410.923 3.210 0 40 HGAB CCOCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(OC)cc1)C(C)=O 223260860 URAJRQSZXXHDTM-QHCPKHFHSA-N 412.530 3.198 0 40 HGAB COc1cc(Cc2noc(C3(Cc4ccc(F)cc4)CC3)n2)ccc1S(C)(=O)=O 580376910 DXNIVQSYOALNJL-UHFFFAOYSA-N 416.474 3.486 0 40 HGAB C[C@@]12C[C@H](c3ccccc3)N(C(=O)c3ccc4c(c3)OCO4)[C@@H]1CCC[C@@H](O)[C@@H]2O 257288980 PWMKPKJKRLKPLF-OPCLUDPOSA-N 409.482 3.283 0 40 HGAB COc1ccc(OC)c(-c2csc(NC(=O)COC(=O)c3c(C)noc3C)n2)c1 5195048 OISXCJFYXRTKPB-UHFFFAOYSA-N 417.443 3.228 0 40 HGAB CCn1c(CN2CCCCCC2=O)nnc1S[C@H](C)C(=O)Nc1ccc(F)cc1 5538429 HKBOAZRYEQVENR-CQSZACIVSA-N 419.526 3.459 0 40 HGAB COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=S)N[C@@H]1c1cnn(-c2ccccc2)n1 11560437 KKQBPFAQBFZXLX-LJQANCHMSA-N 423.473 3.289 0 40 HGAB O=C(NCCc1ccccc1)[C@H](c1ccc(F)cc1)N(C(=O)c1csnn1)C1CC1 12872899 AXXNMALWGBPPQS-FQEVSTJZSA-N 424.501 3.382 0 40 HGAB CC[C@@H](C)NC(=O)C1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CC1 13677987 MLTBNZJQDDFWNO-GFCCVEGCSA-N 407.363 3.450 0 40 HGAB CCOC(=O)C1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1ccc(O)c(OCC)c1 17093512 SSSGVRPEYIOQTI-KRWDZBQOSA-N 423.421 3.155 0 40 HGAB C[C@@H]1C[C@@H]1C(=O)N1CCC[C@@](Cc2ccccc2-c2cncnc2)(C(=O)N(C)C)C1 19463107 CKUBDGHBHQBENN-GQOCTPOGSA-N 406.530 3.039 0 40 HGAB COc1ccc(CNC(=O)c2cc([C@H]3CCCN(Cc4cccnc4)C3)no2)cc1 19555860 RDXIYCLXKYEEDO-IBGZPJMESA-N 406.486 3.388 0 40 HGAB COCCC(=O)N[C@@H](c1ccccn1)[C@H]1CCCN(Cc2cccc(F)c2F)C1 19593238 HYCNNXBSAHFYPV-HTAPYJJXSA-N 403.473 3.466 0 40 HGAB O=C(Nc1nc(-c2ccc3c(c2)CCO3)cs1)[C@@H](Cc1ccccc1)n1cnnn1 19663433 LZSQPZXWWWWBOA-GOSISDBHSA-N 418.482 3.154 0 40 HGAB CC1=NN(CCC(=O)N2CC[C@H](c3nc(N(C)C)ncc3-c3cccc(F)c3)C2)CC1 19695031 LFLWGPHNGHKQFD-SFHVURJKSA-N 424.524 3.136 0 40 HGAB Cc1ccc(C(=O)C2CCN(CC(=O)Nc3ccccc3N3CCOCC3)CC2)cc1 35313965 DBWUXTKYQAZEIQ-UHFFFAOYSA-N 421.541 3.365 0 40 HGAB COc1ccc(Cl)cc1C(=O)N1CCC(COc2ccc3nccn3n2)CC1 1888906500 WNUVGTWOUZNKBD-UHFFFAOYSA-N 400.866 3.323 0 40 HGAB C[C@]12CCN(c3ncnc4[nH]cnc34)[C@@H]1CCCCC(=O)N2Cc1ccc(F)cc1 2037843743 HCLKOFYBEFJXFL-VGSWGCGISA-N 408.481 3.432 0 40 HGAB O=c1c2nnn(Cc3ccc(F)cc3)c2ncn1Cc1ccc(C(F)(F)F)cc1 4139811 PBTVQAWYDRORLC-UHFFFAOYSA-N 403.339 3.243 0 40 HGAB O=C(COc1ccc(Cl)cc1Cl)NCCn1nc(-c2ccco2)ccc1=O 8954585 GJTMQFBUNHRPCS-UHFFFAOYSA-N 408.241 3.005 0 40 HGAB O=C(COc1ccc(Br)cc1)N(c1ccccc1)[C@H]1C=CS(=O)(=O)C1 9446289 ZGYJTDXMXBXXPQ-INIZCTEOSA-N 422.300 3.172 0 40 HGAB COc1ccc(Cl)cc1NC(=O)CCn1cnc2c(cnn2-c2ccccc2)c1=O 11027368 UGGIJEYDIDGAQD-UHFFFAOYSA-N 423.860 3.273 0 40 HGAB CN(C(=O)C[C@H]1CSc2nc3c(cnn3-c3ccccc3)c(=O)n21)c1ccccc1 11613353 SKTJECCOKPDFBZ-KRWDZBQOSA-N 417.494 3.282 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2CC(=O)NCCc2ccccc2)cc1 15390875 ULXOAZWAIYBZNU-HXUWFJFHSA-N 400.544 3.287 0 40 HGAB COc1ccc(NC(=O)CSC2=Nc3ccccc3C3=N[C@@H](C)C(=O)N23)cc1OC 21643590 KNVIKFNDVKLRJM-LBPRGKRZSA-N 424.482 3.054 0 40 HGAB O=C(NC[C@H](O)c1ccc(-c2ccco2)o1)C(=O)Nc1ccc(OC(F)(F)F)cc1 1775966218 UORHXPVPEPTQJG-ZDUSSCGKSA-N 424.331 3.227 0 40 HGAB CNC(=O)c1ccc(CN(Cc2nc3ccsc3c(=O)[nH]2)Cc2ccco2)cc1 23186185 PXWZSXQCPLRUSM-UHFFFAOYSA-N 408.483 3.140 0 40 HGAB Cc1nc(NC(=O)c2cccc(NC(=O)C(C)(C)C)c2)sc1SCC(N)=O 31797547 RSZQBHJNTFCDMY-UHFFFAOYSA-N 406.533 3.266 0 40 HGAB O=S(=O)(c1ccc2c(c1)OCCO2)N(CCOc1ccccc1)Cc1ccco1 7777996 OWRYRUKTSRDZIU-UHFFFAOYSA-N 415.467 3.321 0 40 HGAB COc1ccc(NC(=O)[C@@H]2CCCN(C(=O)Cc3ccccc3)C2)cc1NC(C)=O 45930004 SGJSHEANCRODKK-GOSISDBHSA-N 409.486 3.073 0 40 HGAB Cc1cc(C(=O)Nc2cc(S(=O)(=O)Nc3cccc(Cl)c3)ccc2O)on1 29698151 BRKURHIFTMDGNZ-UHFFFAOYSA-N 407.835 3.395 0 40 HGAB Cc1cc(OC[C@H](O)CN2C(=O)C[C@]3(CCSC3)C2=O)c(C(C)C)cc1Cl 84077154 QMECXDIEICFUGZ-VLIAUNLRSA-N 411.951 3.394 0 40 HGAB O=C(Cn1cnc2ccccc2c1=O)N1N=C(c2ccco2)C[C@H]1c1cccs1 32736200 PWVFLVWDQQSGMZ-KRWDZBQOSA-N 404.451 3.429 0 40 HGAB Cc1ccc2[nH]c(=O)c(CN(CCO)[C@@H](c3nnnn3C3CCCC3)C(C)C)cc2c1 4848168 BWXIBQYHKLUWGF-OAQYLSRUSA-N 424.549 3.130 0 40 HGAB CCC(C)(C)NC(=O)CN(Cc1ccccc1)C(=O)CCC(=O)Nc1ccccn1 4848241 AWWGDFCOQZBTIP-UHFFFAOYSA-N 410.518 3.134 0 40 HGAB CC[C@H](C)NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1cc(C)ccc1OC 6358264 NHQQVNRLTMSJSN-KRWDZBQOSA-N 404.532 3.109 0 40 HGAB O=C(CCn1c(=O)oc2ccccc21)OCC(=O)c1ccc(Br)cc1 7620595 IPBXJKAAJSLTAV-UHFFFAOYSA-N 404.216 3.173 0 40 HGAB CCc1cccc(CC)c1NC(=O)COC(=O)[C@H]1CC(=O)N(C2CCCCC2)C1 7940207 ILUZNIIGQJXKQO-SFHVURJKSA-N 400.519 3.474 0 40 HGAB COc1cc(C(=O)Nc2cccc(Cl)c2N2CCOCC2)cc(OC)c1OC 815708 IYWSTLZZVHAWBZ-UHFFFAOYSA-N 406.866 3.455 0 40 HGAB C[C@@H](NC(=O)COC(=O)c1cccnc1SC(F)F)c1ccc2c(c1)OCO2 23078782 HHWAFLRANXBMOQ-SNVBAGLBSA-N 410.398 3.159 0 40 HGAB COc1ccc(NC(C)=O)cc1NC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 12391752 BOWCSJOKRDCOTR-CYBMUJFWSA-N 401.850 3.299 0 40 HGAB COC(=O)C1=C(C)N=c2s/c(=C\C=C\c3ccccc3)c(=O)n2[C@@H]1c1ccccc1 975352 XAQMTXOXGPYPOP-SUUBLWORSA-N 416.502 3.073 0 40 HGAB COc1ccc(Br)cc1S(=O)(=O)Nc1cccc(F)c1C(=O)O 47202311 ONGPAJHZAPIQJI-UHFFFAOYSA-N 404.213 3.096 0 40 HGAB COc1cc(OC)c(C2=CCN(c3ncc(C(N)=O)cc3Cl)CC2)c(OC)c1 47255234 PVXKLTNEEOOBLG-UHFFFAOYSA-N 403.866 3.153 0 40 HGAB CNC(=O)NC(=O)CSc1nnc(Cc2ccccc2)n1-c1ccc(Cl)cc1 1035681 PAKVNGQVBXLIMV-UHFFFAOYSA-N 415.906 3.059 0 40 HGAB O=C(CN1C(=O)S/C(=C\c2cccn2-c2ccc(O)cc2)C1=O)N1CCCCC1 107843210 QDURUFJZZSEQRC-AQTBWJFISA-N 411.483 3.232 0 40 HGAB C[C@@H](Sc1ccc(S(=O)(=O)N2CCOCC2)cn1)c1cc(F)ccc1F 56265683 GADYHELTGFBFER-GFCCVEGCSA-N 400.472 3.234 0 40 HGAB C[C@@H](NC(=O)CN1C(=O)CCOc2ccccc21)c1ccccc1Br 8022123 MUAQHRUZBBAHBU-CYBMUJFWSA-N 403.276 3.442 0 40 HGAB O=C1C[C@@H](c2ccccc2)N(S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)CCN1 57482641 REZDWZIFHBYJOE-INIZCTEOSA-N 416.396 3.096 0 40 HGAB COC(=O)c1ccc(CS(=O)(=O)N2CCN(c3cc(Cl)ccc3C)CC2)cc1 20458423 MGXQAZXRZWQVPB-UHFFFAOYSA-N 422.934 3.087 0 40 HGAB O=C(CNC(=O)C1(c2cccc(Cl)c2)CCC1)Nc1ccc(-n2cncn2)cc1 58244816 SPWQQOBUHWRZKP-UHFFFAOYSA-N 409.877 3.097 0 40 HGAB COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)c1cc(=O)c2ccccc2o1 8133544 BFFJJMYETFFHLT-UHFFFAOYSA-N 400.818 3.166 0 40 HGAB C[C@@H](C(=O)Nc1sccc1C(N)=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 36398841 KWNGISCZCBLWBT-BBRMVZONSA-N 415.515 3.172 0 40 HGAB CC(=O)N1CCc2cc(C(=O)N[C@@H]3CC4(CCN(C)CC4)Oc4ccccc43)ccc21 48326415 SLHQNVWTHTYKHY-OAQYLSRUSA-N 419.525 3.314 0 40 HGAB O=C(NC1CCN(C(=O)[C@H]2CCCN(Cc3ccccc3)C2)CC1)c1ccc(F)cc1 48312552 JDOKJBNDOMVHDV-NRFANRHFSA-N 423.532 3.459 0 40 HGAB O=C(CNC(=O)c1ccc(-c2ccccc2)cc1)NCCc1ccc2c(c1)OCCO2 12876409 BWYXNQKBRAGSCL-UHFFFAOYSA-N 416.477 3.214 0 40 HGAB CCOc1ccccc1NC(=O)COc1ccc(S(=O)(=O)N[C@@H](C)CC)cc1 409201122 VKWUPZYBKLQGNS-HNNXBMFYSA-N 406.504 3.180 0 40 HGAB O=C(Nc1nccs1)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 3549616 WVWLMLVGFRWERT-UHFFFAOYSA-N 419.450 3.201 0 40 HGAB C[C@H](NC(=O)c1ccc(I)cc1)c1ccc(-n2cncn2)cc1 12977840 ZTAGURXTCKGKPP-LBPRGKRZSA-N 418.238 3.363 0 40 HGAB CC(C)n1ncc2c(C(=O)NC[C@H]3CCCO3)cc(-c3ccc4c(c3)OCCO4)nc21 12950147 QUBQXRNLTLFOHI-MRXNPFEDSA-N 422.485 3.359 0 40 HGAB Cc1ccc(N2C(=O)N(C[C@@H](O)COCc3ccccc3Cl)C(=O)[C@@H]2C)cc1 12984390 LHBQMCWDJIOOPB-MAUKXSAKSA-N 402.878 3.383 0 40 HGAB COCCn1cc(C(=O)c2cc(F)ccc2O)cc1-c1nc2ccccc2c(=O)[nH]1 8217120 DCHLECIKOMSKSW-UHFFFAOYSA-N 407.401 3.114 0 40 HGAB Cc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)NC[C@H]3CCCO3)c2)cc1 13070182 MJJYXIHCNDHHLK-MRXNPFEDSA-N 408.907 3.358 0 40 HGAB O=C(CSc1nnnn1Cc1cccs1)Nc1nc2ccc(F)cc2s1 8232464 LERQCSMXWHOGFO-UHFFFAOYSA-N 406.493 3.263 0 40 HGAB Cc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(C)c(Cl)c3)CC2=O)cc1 6081717 QZDNZIPKQJAXCS-HNNXBMFYSA-N 400.862 3.492 0 40 HGAB CCOC(=O)c1c(NC(=O)COC(=O)c2n[nH]c3ccccc23)sc(C)c1C 6370729 BKYCZVPCUIGSPM-UHFFFAOYSA-N 401.444 3.213 0 40 HGAB Cc1ccc(CNC(=O)Cn2nc(-c3ccc(Br)cc3)ccc2=O)cc1 5398102 ACUHZLYITCUIMR-UHFFFAOYSA-N 412.287 3.298 0 40 HGAB Cc1cc(O)c(-c2[nH]nc3c2[C@H](c2ccccc2F)N(CCO)C3=O)cc1Cl 5343749 FSORTSWYVBZPRE-IBGZPJMESA-N 401.825 3.421 0 40 HGAB CC(=O)Nc1ccc(NC(=O)CC2(CC(=O)N3CCOCC3)CCCC2)cc1Cl 14124221 NKNDHZBBVQAOIH-UHFFFAOYSA-N 421.925 3.436 0 40 HGAB CC(=O)Nc1ccc(NC(=O)[C@@H](C)Sc2nnc(NC[C@@H]3CCCO3)s2)cc1 14246734 OIZDVRIGKSPAIY-ABAIWWIYSA-N 421.548 3.207 0 40 HGAB Cc1c(NC(=O)CCCNC(=O)C23CC4CC(CC(C4)C2)C3)cccc1-n1cnnn1 14236155 HTVKSLRTKGGKCR-UHFFFAOYSA-N 422.533 3.022 0 40 HGAB O=C(c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)N1CCN(c2ccccc2)CC1 5701850 CHOUPPUCKWCTFE-UHFFFAOYSA-N 415.449 3.038 0 40 HGAB Cc1ccc(NCC(=O)N2CCC[C@H]2c2cccs2)cc1S(=O)(=O)N(C)C 8725791 HTYZMROVKSCSER-INIZCTEOSA-N 407.561 3.082 0 40 HGAB COc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)N[C@H]1CCCc2ccccc21 20015699 KLEJGOGQYGLQMV-KRWDZBQOSA-N 422.934 3.163 0 40 HGAB O=C(CCS(=O)(=O)c1ccccc1)O[C@@H](C(=O)N1CCCCC1)c1ccccc1 7082777 YNTLCVHAGGTXFM-OAQYLSRUSA-N 415.511 3.147 0 40 HGAB COC(=O)/C(=C\Nc1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(C(C)C)cc1 67340547 LNELBAGCEWQPDH-YBFXNURJSA-N 403.456 3.439 0 40 HGAB COc1ccccc1NC(=O)C1=C(C)Nc2nc(SC)nn2[C@H]1c1cccnc1 8739768 BDHKUUFDHDEFOY-KRWDZBQOSA-N 408.487 3.331 0 40 HGAB O=C(NC1CC1)c1cccc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)c1 7325553 YFELAMPWGDVQQR-UHFFFAOYSA-N 400.378 3.278 0 40 HGAB COc1ccc([C@@H]2CCCN2C(=O)c2sc3ncn(C)c(=O)c3c2C)c(OC)c1 15830437 BDBUVGYUUCPVAO-HNNXBMFYSA-N 413.499 3.298 0 40 HGAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCCCC3)C2)cc1Cl 7604597 HMRGNFGAQCHXOQ-OAHLLOKOSA-N 414.955 3.152 0 40 HGAB CN(CC(=O)Nc1ccc(Cl)cc1)C(=O)CNC(=O)Cc1cccc2ccccc12 9126531 YXBSPZOMMOQDAM-UHFFFAOYSA-N 423.900 3.249 0 40 HGAB Cc1ccc(S(=O)(=O)N2C(=O)CC[C@H]2C(=O)Nc2ccc(Cl)cc2C)cc1 28209515 YIWCNBJNULNOSH-KRWDZBQOSA-N 406.891 3.275 0 40 HGAB CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)CCn1c(=O)[nH]c(=O)c2ccccc21 71844179 UVIBOPNCMBMZME-AZUAARDMSA-N 405.498 3.265 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)Nc1ccc(O)cc1 95377487 CWGCKMQBTSVOCC-UHFFFAOYSA-N 404.488 3.218 0 40 HGAB Cc1nn(-c2ccccc2F)c(C)c1[C@H]1COCCN1C(=O)CC1CCOCC1 95998562 ODJIVFSJKGMVHJ-HXUWFJFHSA-N 401.482 3.345 0 40 HGAB O=C([C@H]1CCS(=O)(=O)C1)N(Cc1ccc(Cl)c(Cl)c1)Cc1ccccn1 95955801 MTFNBMBRBCRZSI-AWEZNQCLSA-N 413.326 3.352 0 40 HGAB Cc1ccccc1OC[C@@H](C)NC(=O)CN(c1ccc(Cl)cc1C)S(C)(=O)=O 22336687 BXWSHXHPXJIABZ-MRXNPFEDSA-N 424.950 3.307 0 40 HGAB Cc1ccc(-c2ccc3c([C@H]4CN(C(=O)c5ccccn5)CCN4C)nnn3c2)cc1 306127599 GDCQJVWLKHEPSK-JOCHJYFZSA-N 412.497 3.229 0 40 HGAB CCOC(=O)C1=C(CN(C)[C@H]2CCCc3ccccc32)NC(=O)N[C@@H]1c1ccco1 27906405 JVIBEVQYMAWWOF-GHTZIAJQSA-N 409.486 3.460 0 40 HGAB CCCC[C@H](C(=O)OCC(=O)Nc1ccc(OC)cc1)N1C(=O)c2ccccc2C1=O 408662862 NXYMUVJZCGRGQE-LJQANCHMSA-N 424.453 3.032 0 40 HGAB COc1ccc([C@@H](C)NC(=O)[C@@H](C)N(c2cc(C)ccc2C)S(C)(=O)=O)cc1 216211423 OQVVTYVCCDKLPO-IAGOWNOFSA-N 404.532 3.344 0 40 HGAB Cn1nc(-c2ccccc2)cc1C(=O)N1CCN(C(=O)[C@@H]2C[C@H]2c2cccs2)CC1 38730952 MPQQJFQHPXDIHB-QZTJIDSGSA-N 420.538 3.237 0 40 HGAB CSCC[C@H](NC(=O)Cc1c(C)c2cc3c(C)c(C)oc3cc2oc1=O)C(=O)O 6418241 OPFBYXFAZQZKQP-INIZCTEOSA-N 417.483 3.329 0 40 HGAB biogenic CS(=O)(=O)c1cccc(-c2nnc(C3(c4ccc(F)cc4)CCOCC3)o2)c1 71889938 ANJGWRGAMCMMTP-UHFFFAOYSA-N 402.447 3.376 0 40 HGAB O=C(NCCC(=O)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1)c1ccco1 32678678 SHNANMOMHWGUKI-UHFFFAOYSA-N 414.849 3.294 0 40 HGAB O=C(NC(=S)Nc1nc2ccc(N3CCOCC3)cc2s1)c1ccc(F)cc1 32127349 XJWXESGKEAUNNH-UHFFFAOYSA-N 416.503 3.399 0 40 HGAB Cc1ccc(OCc2nnc(SCC(=O)Nc3ccc(C(=O)O)cc3)n2C)cc1 33714099 XZWFFRSSAODRAX-UHFFFAOYSA-N 412.471 3.132 0 40 HGAB Cc1cc(Cc2ccccc2)cc([C@H]2CCCN(S(=O)(=O)c3cn(C)cn3)C2)n1 72354243 DGBMOZCGYNMTEI-FQEVSTJZSA-N 410.543 3.283 0 40 HGAB COc1ccc(CCNc2ccc(S(=O)(=O)NCCC(C)C)cc2C(=O)O)cc1 217653747 BNHFFPGRMNJVKN-UHFFFAOYSA-N 420.531 3.372 0 40 HGAB CC(=O)c1cccc(NC(=O)c2ccc(CS(=O)(=O)N3CCCCC3)cc2)c1 44880927 AXPQYTAQQXUNEA-UHFFFAOYSA-N 400.500 3.457 0 40 HGAB CCCNC(=O)c1ccccc1NC(=O)c1ccc(N(CC)S(=O)(=O)CC)cc1 222397700 DGULIXXVAVCEMU-UHFFFAOYSA-N 417.531 3.255 0 40 HGAB CCc1ccc([C@@H](C)NC(=O)CN(c2cc(C)ccc2OC)S(C)(=O)=O)cc1 225575815 XECCVKAQJRLUSV-MRXNPFEDSA-N 404.532 3.209 0 40 HGAB CC(C)(C)CNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 226077240 XHSVJOCQSTVINM-ZDUSSCGKSA-N 417.369 3.012 0 40 HGAB CCNC(=O)c1cc(S(=O)(=O)N[C@H](CC)c2ccc(OC)c(C)c2)ccc1OC 225760368 YHBDODCBOPNANW-GOSISDBHSA-N 420.531 3.192 0 40 HGAB O=C(NCCOc1ccccc1)NCC1CCN(C(=O)Nc2ccc(F)cc2)CC1 77200934 NGBIZCATEAXZKB-UHFFFAOYSA-N 414.481 3.448 0 40 HGAB C[C@H]1CCCN(Cc2ccccc2CNC(=O)CCc2nc3ccccc3c(=O)[nH]2)C1 40112327 FWDPIIRVFZKALQ-SFHVURJKSA-N 418.541 3.404 0 40 HGAB CCn1c(=O)[nH]c2cc(C(=O)O[C@H](c3ccccc3)c3ccccn3)ccc2c1=O 48310819 JOXSYHLOZBLLOX-HXUWFJFHSA-N 401.422 3.051 0 40 HGAB CCOCCCNc1ccc(C(=O)OC)cc1S(=O)(=O)Nc1ccc(OC)cc1 223420055 ONGMPWFDBNEZFA-UHFFFAOYSA-N 422.503 3.121 0 40 HGAB COc1ccc(CN(C(=O)Cc2ccccc2)[C@@H](C)C(=O)NCc2ccncc2)cc1 222990304 CPUIWSLMXBBCMU-IBGZPJMESA-N 417.509 3.366 0 40 HGAB O=C(CN1CC(c2nc(-c3cccc(C(F)(F)F)c3)no2)C1)NCc1ccco1 90567239 XYUVIMARGXGOBU-UHFFFAOYSA-N 406.364 3.064 0 40 HGAB O=C(CN1C(=O)c2ccccc2Sc2ncccc21)NCc1ccc2c(c1)OCO2 96223158 WSMROXZXBCRXKG-UHFFFAOYSA-N 419.462 3.238 0 40 HGAB O=C(NC[C@H]1Cn2c(-c3ccc4c(c3)OCCO4)cnc2CO1)Nc1ccc(F)cc1 96269332 RDECRMHXOOEPCM-KRWDZBQOSA-N 424.432 3.181 0 40 HGAB biogenic,in-vitro CCc1onc(C)c1-c1cccc([C@@H]2CN(C(=O)c3n[nH]c4c3CCC4)CCO2)n1 257306705 SVLRGLZVDALTGS-IBGZPJMESA-N 407.474 3.033 0 40 HGAB COc1ccccc1Cc1cnc([C@@H]2CCCN(C(=O)c3cc(C)nc(O)n3)C2)o1 257227813 FRAHTABCXLOEEE-MRXNPFEDSA-N 408.458 3.098 0 40 HGAB C[C@@H](NC(=O)c1n[nH]c2ccccc12)C(=O)Nc1ncc(Cc2ccccc2)s1 590495675 XDWXBWWQTBXBCN-CYBMUJFWSA-N 405.483 3.367 0 40 HGAB CNC(=O)CN1CCC[C@@H]1c1csc(NC(=O)c2ccc(Br)cc2)n1 585273386 UEPYFBVYWHOGLQ-CQSZACIVSA-N 423.336 3.041 0 40 HGAB CCOC(=O)[C@]1(Cc2cc(-c3ccccc3)no2)CCCN(Cc2cncn2C)C1 72394096 LZXHDXURZYGHPU-QHCPKHFHSA-N 408.502 3.463 0 40 HGAB CC[C@H](Oc1cccc(OC)c1)C(=O)N1[C@H]2CC[C@@H]1c1cnc3cc(C)nn3c1C2 12155508 XWQXYHPONSFDKI-DLVCFXQMSA-N 406.486 3.492 0 40 HGAB Cc1cc(-c2cnc(N3CCOCC3)nc2C2CCN(Cc3cccnc3)CC2)on1 12232390 DNXMRVLCFKOXGB-UHFFFAOYSA-N 420.517 3.051 0 40 HGAB O=C(Cc1c(Cl)cccc1Cl)N1CCN(S(=O)(=O)c2cccs2)CC1 13108992 YPOUTWVLNWXWDQ-UHFFFAOYSA-N 419.355 3.131 0 40 HGAB O=C([C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)N1CCCc2ccccc21 15576748 DDGZMJUZKXFCFP-KRWDZBQOSA-N 402.491 3.206 0 40 HGAB CCc1cccc(CC)c1NC(=O)CN(C)S(=O)(=O)c1cc(F)ccc1OC 16162266 LHAUXISBFQDIOC-UHFFFAOYSA-N 408.495 3.218 0 40 HGAB CC(C)CC(=O)N1CCO[C@](Cc2ccc(-c3cccnc3)cc2)(C(=O)NC(C)C)C1 19446503 PWQGCSMKPTYPJG-VWLOTQADSA-N 423.557 3.459 0 40 HGAB COc1ccc(-n2ncc(C(=O)C3CCN(C(=O)C[C@@H]4C=CCC4)CC3)c2N)cc1 19558843 RYBFJWBYCLZJFW-MRXNPFEDSA-N 408.502 3.241 0 40 HGAB COc1cccc(-c2noc(CCC(=O)N3CCN(C)C[C@@H]3c3ccccc3)n2)c1 19589354 GJTXMUUEIDCAMJ-HXUWFJFHSA-N 406.486 3.193 0 40 HGAB CNc1cc(C(=O)N2[C@H](Cc3ccc(F)cc3)C[C@@H]3NC(=O)CCCC[C@H]32)ccn1 19712118 DHKTYRVBICUXQR-HSALFYBXSA-N 410.493 3.147 0 40 HGAB Cc1nn(C)c(C)c1C[C@H](C)NC(=O)c1cc(-c2ccnn2C)nc2ccccc12 19716546 OXCMNLNZOIPDGL-AWEZNQCLSA-N 402.502 3.347 0 40 HGAB COCCC(=O)N1CCCC[C@@H]1c1ncc(C(=O)Nc2ccc(F)cc2)c(C)n1 19765075 LCPXUULRBFQLOB-GOSISDBHSA-N 400.454 3.267 0 40 HGAB Cc1cnc(C(=O)N2CCC[C@H](c3cc4nc(C)cc(C(F)(F)F)n4n3)C2)cn1 12257658 ZZXLNAUHUUJPMD-ZDUSSCGKSA-N 404.396 3.175 0 40 HGAB CCC(=O)N1CC[C@](Cc2ccc(-c3ccccc3)cc2)(C(=O)N2CCOCC2)C1 19498403 YPZQZPBEXHMJFE-RUZDIDTESA-N 406.526 3.384 0 40 HGAB Cn1c(SCc2nc3ccccc3c(=O)[nH]2)nc2sc3c(c2c1=O)CCCC3 6017099 IIDRKOZNXLZYDR-UHFFFAOYSA-N 410.524 3.403 0 40 HGAB Cc1nc(C)c(-c2ccc(=O)n(CC3CCN(c4ncc(Cl)cn4)CC3)n2)s1 1888897884 ZJLUOMUHNPREMS-UHFFFAOYSA-N 416.938 3.344 0 40 HGAB CC(=O)N1CCCC[C@@H]2N(CC3(O)CCN(c4ccccc4F)CC3)CCC[C@@]21C 2037846057 MILRQWXVUKLGCM-GOTSBHOMSA-N 417.569 3.413 0 40 HGAB O=C(CCC(F)(F)F)N1CCC[C@]2(CC1)CN(c1ccc(F)cc1)C(=O)CO2 2037988543 TYJXDIHOKCFEHB-SFHVURJKSA-N 402.388 3.283 0 40 HGAB COc1ccccc1CNc1ccc2nnc(CCNC(=O)c3ccc(C)cc3)n2n1 4358540 NPEFFSIIRBPNGC-UHFFFAOYSA-N 416.485 3.026 0 40 HGAB Cc1cc(C)c(S(=O)(=O)Nc2cc(N3CCCS3(=O)=O)ccc2C)c(C)c1 5075782 IRYJXOMVVVMJHH-UHFFFAOYSA-N 408.545 3.261 0 40 HGAB CC(C)c1ccc(NC(=O)c2cn(C)c3c(=O)n(Cc4ccccc4)c(=O)[nH]c23)cc1 9659692 IKDKVOCRJPWEMJ-UHFFFAOYSA-N 416.481 3.452 0 40 HGAB CC(C)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C)C3)cc1 9622931 HZEBTKJGQKGAHC-LBPRGKRZSA-N 420.556 3.406 0 40 HGAB CC(=O)c1ccc(NC(=O)CSC2=NS(=O)(=O)c3ccc(C)cc3N2)cc1 10272664 XUNFYLHBALJJIK-UHFFFAOYSA-N 403.485 3.040 0 40 HGAB COc1ccc(C)cc1NC(=O)CCc1c(C)nn(-c2nc(C)c(C)c(=O)[nH]2)c1C 16981212 ATOMWNKXWHWABT-UHFFFAOYSA-N 409.490 3.078 0 40 HGAB CC(C)c1ccc(OC[C@H](O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 19363091 GSTPRBGSQIQSDD-OAQYLSRUSA-N 412.530 3.096 0 40 HGAB Cc1cc(N2N=N[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]32)ccc1Br 23125730 ILDGNJMSYRLJCN-HUUCEWRRSA-N 403.211 3.394 0 40 HGAB O=C(CCc1ccccc1)NC1CCN(Cc2nc(Cc3ccccc3)no2)CC1 40120487 DCYBPQLTAASNKQ-UHFFFAOYSA-N 404.514 3.374 0 40 HGAB CN1C(=O)c2ccccc2[C@H](C(=O)Nc2cccnc2)[C@H]1c1ccc2c(c1)OCO2 40268351 FEVZCDGLFWVTNJ-LEWJYISDSA-N 401.422 3.360 0 40 HGAB CCc1ccccc1NC(=S)N(CCO)Cc1cc2ccc(OC)cc2[nH]c1=O 895011 OLVWRCOZOAQIRG-UHFFFAOYSA-N 411.527 3.290 0 40 HGAB COc1ccc(NC(=O)CSc2nc3sc(C)c(C)c3c(=O)[nH]2)cc1OC 1368279 CBLVWIJRJYZSQE-UHFFFAOYSA-N 405.501 3.349 0 40 HGAB O=C(CSc1nc2ccccc2nc1SCC(=O)N1CCCC1)N1CCCC1 2699382 VVXDQAJJZBGADT-UHFFFAOYSA-N 416.572 3.059 0 40 HGAB COC[C@H](C)NC(=O)c1cnn2c1N[C@H](c1cccc(OC)c1)C[C@@H]2C(F)(F)F 2799502 BDYRVECIQXJCEC-KNXALSJPSA-N 412.412 3.317 0 40 HGAB COc1ccc(N(C(=O)COc2ccc(Cl)cc2)[C@H]2C=CS(=O)(=O)C2)cc1 4165505 NLLQKGLILMTBFL-INIZCTEOSA-N 407.875 3.071 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NC23CC4CC(CC(C4)C2)C3)cc1 4575083 FAZDRVJGGYFZAO-BUMILGAPSA-N 402.560 3.233 0 40 HGAB COc1cc(-c2nnc3n2N=C(c2ccc(F)cc2)CS3)cc(OC)c1OC 5111919 YIWRPVMUGFQCMR-UHFFFAOYSA-N 400.435 3.468 0 40 HGAB Cc1ccc(C(=O)CN2C(=O)S/C(=C\c3ccc(OCC(=O)O)cc3)C2=O)cc1 5176010 NNGCFRJXAZXPFF-ZDLGFXPLSA-N 411.435 3.378 0 40 HGAB COc1ccc2c(c1)C(c1ccc(N3CCOCC3)cc1)=NNC(c1cccnc1)=N2 5447946 STCYPMHBQRRRSZ-UHFFFAOYSA-N 413.481 3.361 0 40 HGAB CN(C)S(=O)(=O)c1cccc(C(=O)OCc2csc(-c3ccccc3)n2)c1 6384543 MMOOMVWNXWJZGM-UHFFFAOYSA-N 402.497 3.417 0 40 HGAB CN(CC(=O)NCCc1ccc(Cl)cc1)S(=O)(=O)c1ccc2ccccc2c1 6561749 ROHSYSZJIMYSMW-UHFFFAOYSA-N 416.930 3.473 0 40 HGAB COc1ccc2[nH]c(SCC(=O)N(C)CC(=O)Nc3cc(C)ccc3C)nc2c1 6586842 YDSOBEMBPAXKTH-UHFFFAOYSA-N 412.515 3.378 0 40 HGAB CC1CCC(C(=O)N[C@@H](C(=O)N2CCN(c3ccccc3F)CC2)C(C)C)CC1 6722246 XLMFUUUIPNURNK-WIXQSORDSA-N 403.542 3.441 0 40 HGAB Cc1cc(C)c(OCC(=O)N(Cc2cccc(F)c2)[C@H]2CCS(=O)(=O)C2)c(C)c1 6810977 YIWBGIMTUYOTQM-FQEVSTJZSA-N 419.518 3.346 0 40 HGAB CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)Nc1nccs1 7061437 OLCPSRMXEZNFTO-LBPRGKRZSA-N 408.332 3.392 0 40 HGAB COc1cc(OC)c(OC)cc1CNC(=O)C[C@H]1c2ccccc2C=CN1C(C)=O 7437018 IVHIRCOXDMSIKA-IBGZPJMESA-N 410.470 3.293 0 40 HGAB Cc1ccc(CN2C[C@@H](C(=O)N3CCN(c4ccccc4Cl)CC3)CC2=O)cc1 8014873 MOMFLQYDVIQKDW-IBGZPJMESA-N 411.933 3.346 0 40 HGAB COCCn1c(S[C@H](C)C(=O)N[C@@H]2CCCC[C@H]2C)nc2ccccc2c1=O 8229962 SZMJAXCCUBQPFL-BFYDXBDKSA-N 403.548 3.218 0 40 HGAB O=C(CCN1C(=O)S/C(=C\c2ccc(F)cc2)C1=O)Nc1cccc2nonc12 8514787 LMPDXDWLWQOZAC-GDNBJRDFSA-N 412.402 3.427 0 40 HGAB Cc1n[nH]c(C)c1NC(=O)CN(C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 8734857 PSOWNEJDKMNSQZ-UHFFFAOYSA-N 417.819 3.208 0 40 HGAB Cc1cc(C(=O)CN2C(=O)N[C@](C)(c3ccc4c(c3)OCO4)C2=O)c(C)c(C)c1C 9092674 URASDCLFJXTCED-HSZRJFAPSA-N 408.454 3.299 0 40 HGAB COc1ccc(N([C@@H](C)C(=O)Nc2ccc(F)cc2F)S(C)(=O)=O)cc1Cl 10366805 BRRFDDGWCPPOAZ-JTQLQIEISA-N 418.849 3.420 0 40 HGAB CCCc1cc(C(=O)N[C@H](Cn2nc(-c3cccs3)ccc2=O)C(C)C)no1 12182953 BLBMDJSVQDABJD-QGZVFWFLSA-N 400.504 3.367 0 40 HGAB CCOC(=O)N1CCN(c2nc(C)c3c(n2)C[C@H](c2ccc(F)cc2)CC3=O)CC1 12390612 QWSDJUHXKCKYCA-INIZCTEOSA-N 412.465 3.115 0 40 HGAB O=C(Cn1nnc(-c2cccs2)n1)N1CCC[C@@H](c2nc3ccccc3s2)C1 12779918 PERMYIYRXVXYEO-CYBMUJFWSA-N 410.528 3.418 0 40 HGAB CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cc(C)nc2c1cnn2C(C)C 12882179 DJGQGTVWTRZARH-UHFFFAOYSA-N 404.474 3.219 0 40 HGAB Cc1ccc(-c2csc(NC(=O)C3CCN(c4ccc5nncn5n4)CC3)n2)cc1 12986052 QIPIDICHFXZHBS-UHFFFAOYSA-N 419.514 3.411 0 40 HGAB CC(C)CN(C(=O)c1ccc2ccccc2c1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 13039847 QBWNLBFTTGBFMO-UHFFFAOYSA-N 408.502 3.231 0 40 HGAB COc1ccccc1CCNC(=O)[C@H]1CCCN(C(=O)Cc2c[nH]c3ccccc23)C1 13689693 HPYRSDQHDZNHIE-IBGZPJMESA-N 419.525 3.317 0 40 HGAB CCOc1ccc(-c2nc(NC(=O)C3CCN(S(C)(=O)=O)CC3)sc2C)cc1 13704908 PXXWJOFDPFSVPN-UHFFFAOYSA-N 423.560 3.127 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc4cc[nH]c4c3)CC2)cc1 13733419 CONKELUAIKILMO-UHFFFAOYSA-N 413.499 3.216 0 40 HGAB COc1ccc(-c2cc(=O)n(CC(=O)Nc3ccc(OC(F)(F)F)cc3)cn2)cc1 13807327 IQPAHIGXFYJICR-UHFFFAOYSA-N 419.359 3.456 0 40 HGAB O=C1CN(C(=O)CSc2nc(-c3ccccc3)cs2)C2(CCCCC2)C(=O)N1 14018288 QBVZXHWIUQWGSF-UHFFFAOYSA-N 415.540 3.090 0 40 HGAB COc1ccc(NS(=O)(=O)c2cc(NC(C)=O)ccc2N2CCCCC2)cc1 15309084 SQBGJYOWHLQKBC-UHFFFAOYSA-N 403.504 3.445 0 40 HGAB CCOc1ccccc1/C=c1/sc2nc(/C=C/c3ccc(OC)cc3)nn2c1=O 16807435 VAZBCZINXYWVER-NIEGGPFSSA-N 405.479 3.276 0 40 HGAB O=C(Cc1cccc2ccccc12)NCCCS(=O)(=O)N1CCc2ccccc2C1 16849419 OOJXCFJXFNBBFO-UHFFFAOYSA-N 422.550 3.277 0 40 HGAB CCCN(CC(=O)Nc1ccccc1C)S(=O)(=O)c1cccc2nsnc12 19109292 PRIUQXFKQAMZRN-UHFFFAOYSA-N 404.517 3.039 0 40 HGAB Cc1nn(C)cc1C(=O)N1CCC[C@@H](c2nc(C)c3c(n2)N(CC2CC2)CCC3)C1 19706908 GYUACURPOPNVMZ-GOSISDBHSA-N 408.550 3.009 0 40 HGAB CC(C)(C(=O)N1CCC2(CC1)NC(=O)N(Cc1ccccc1)C2=O)c1cccc(F)c1 19718514 ZUQYOZHLJSQGOH-UHFFFAOYSA-N 423.488 3.217 0 40 HGAB Cc1nc(CC(=O)N2CCC(CC(=O)NCCc3ccccc3F)CC2)cs1 19748484 KGQPSOHQEZHBGH-UHFFFAOYSA-N 403.523 3.121 0 40 HGAB COC(=O)C1=C(C)N(c2ccccc2)C(=O)C[C@@H]1C(=O)Nc1ccc(C(C)=O)cc1 19819030 AUGJUXPWYDSVRN-IBGZPJMESA-N 406.438 3.328 0 40 HGAB C[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 20461581 HLTVJQMGAVETGT-AWEZNQCLSA-N 415.446 3.428 0 40 HGAB Cc1c(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)oc2c1C(=O)CC(C)(C)C2 20546866 FSGXOLYXWQBWOJ-UHFFFAOYSA-N 424.497 3.430 0 40 HGAB O=C(Cn1ncn2nc(-c3ccc(F)cc3)cc2c1=O)Nc1ccc(Cl)cc1F 21023945 LHPVOXHYDLVIOZ-UHFFFAOYSA-N 415.787 3.128 0 40 HGAB O=C(COc1ccc(Br)cc1F)OCC(=O)c1ccc2c(c1)OCO2 21175078 ORAXEGIBRUJZFS-UHFFFAOYSA-N 411.179 3.122 0 40 HGAB CCCOc1ccccc1CCCNC(=O)CN(c1ccccc1C)S(C)(=O)=O 22326956 ICPQWAZAHVVLID-UHFFFAOYSA-N 418.559 3.299 0 40 HGAB Cc1ccc(NC(=O)NC(=O)[C@@H](C)Sc2nnnn2Cc2ccccc2)c(C)c1 23042537 BDXMZIYVXGYHGT-OAHLLOKOSA-N 410.503 3.167 0 40 HGAB COc1cccc(CSc2nc(C)c(CC(=O)Nc3nccs3)c(=O)[nH]2)c1 23138541 AEYACAFXOBVFJH-UHFFFAOYSA-N 402.501 3.017 0 40 HGAB C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)CCc1nnc(-c2ccccc2)o1 24331969 PWBWEHANJODXJB-MRXNPFEDSA-N 402.458 3.470 0 40 HGAB O=c1cc(CN2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)nc2ccccn12 25047142 AJVSPTHMWZQZMR-UHFFFAOYSA-N 403.313 3.319 0 40 HGAB CCOC(=O)c1cccc(OC[C@@H](O)CN(C)Cc2nc3ccccc3s2)c1 25233636 VMIKLJFXRFKUNR-INIZCTEOSA-N 400.500 3.345 0 40 HGAB C[C@@H](OC(=O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1)C(=O)N1CCc2ccccc21 26030362 ZSMJGJSRDSVLQJ-VQIMIIECSA-N 424.472 3.199 0 40 HGAB CCc1ccc2oc(C(=O)NC[C@H](c3ccccc3)N3CCOCC3)cc(=O)c2c1 28289811 CBCVDZPJIWIIAC-HXUWFJFHSA-N 406.482 3.159 0 40 HGAB O=C(c1ccc2c(c1)OCO2)N1CCN(Cc2coc(-c3ccc(F)cc3)n2)CC1 30003293 NDBADMKKENADPI-UHFFFAOYSA-N 409.417 3.167 0 40 HGAB COc1cccc([C@H](CNC(=O)NCc2ccc(NC(=O)C(C)C)cc2)N(C)C)c1 30988978 QEDZSGCYIBSNFD-NRFANRHFSA-N 412.534 3.392 0 40 HGAB Cc1ccc(-c2nc(CN3C(=O)N[C@@](C)(c4ccc5c(c4)OCO5)C3=O)co2)cc1 31644904 JYOCGBWNQDHPLH-QFIPXVFZSA-N 405.410 3.346 0 40 HGAB COc1cccc([C@@H]2c3cc4c(cc3O[C@H](N3CCOCC3)[C@H]2C)OCO4)c1OC 31860798 HDTMGYJCRVULBM-RUGFAHKUSA-N 413.470 3.251 0 40 HGAB Cc1ccccc1C(=O)N1CCC(C(=O)NC[C@@H](c2cccc(F)c2)N(C)C)CC1 32728639 WUGFIVQLFCDCRB-QFIPXVFZSA-N 411.521 3.405 0 40 HGAB O=C1COc2ccc(S(=O)(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2N1 32895080 SATVZLVDFALPOV-UHFFFAOYSA-N 406.769 3.491 0 40 HGAB COc1ccc([C@H](CNC(=O)c2ccccc2I)N(C)C)cc1 32960897 JIOSFFWLMJHMTF-KRWDZBQOSA-N 424.282 3.333 0 40 HGAB Cc1cc(C(=O)Nc2ncnc3c2cnn3C)c2c(C)nn(Cc3ccccc3)c2n1 36616843 IVCDMNUKWDYLSZ-UHFFFAOYSA-N 412.457 3.025 0 40 HGAB O=C(CCn1cnc2ccccc2c1=O)NCc1cc(-c2ccc(F)cc2F)on1 38754030 UEFPJAJBZFJEHE-UHFFFAOYSA-N 410.380 3.036 0 40 HGAB COc1cccc(CN(C)C(=O)C[C@@H](NC(N)=O)c2ccc(Br)cc2)c1 40069584 HEUMASOGYHTBEL-QGZVFWFLSA-N 420.307 3.216 0 40 HGAB O=C(COc1coc(CN2CCSCC2)cc1=O)Nc1cccc2ccccc12 44900899 DSFVRKSLULLPCO-UHFFFAOYSA-N 410.495 3.359 0 40 HGAB O=C(NC[C@@H]1CN(Cc2ccccc2)CCO1)Nc1ccc(N2CCCCC2)nc1 48231351 MJTDKIRJLFOCNE-OAQYLSRUSA-N 409.534 3.094 0 40 HGAB O=C(Cn1c(=O)n(CCc2cccs2)c(=O)c2ccccc21)Nc1cccc(F)c1 57473312 XKUJRKBGFPTPPA-UHFFFAOYSA-N 423.469 3.245 0 40 HGAB CCCNC(=O)CN1CCN(c2nc(C)nc3scc(-c4cccs4)c23)CC1 58158394 JJTGZZJBQLEQIZ-UHFFFAOYSA-N 415.588 3.376 0 40 HGAB CC(=O)[C@H]1CC(C(=O)NCc2cc(Br)cs2)=NN1c1ccccc1 58224930 UCPJGIPUFNBEQH-MRXNPFEDSA-N 406.305 3.351 0 40 HGAB CCOc1c(Br)cc(/C=C/C(=O)N[C@@H](C(=O)O)C(C)C)cc1OC 62714723 PMRPIUMGCNFZBM-LQYUOIDQSA-N 400.269 3.095 0 40 HGAB CC[C@H](C)NC(=O)[C@H]1CN(S(=O)(=O)c2ccc(C)cc2)c2ccc(C)cc2O1 64985943 TVPYGCCKSNZWDM-OXJNMPFZSA-N 402.516 3.174 0 40 HGAB Cc1ccc([C@H](C)NC(=O)Cn2c(-c3cccc(F)c3)nc(C)c(CCO)c2=O)cc1 67316944 KYEACRMLUXRANX-INIZCTEOSA-N 423.488 3.078 0 40 HGAB COc1ccc(OC)c(NC(=O)c2nnn(CC(=O)Nc3ccc(C)cc3C)c2C)c1 71327215 CSQDPTPKBFZTJZ-UHFFFAOYSA-N 423.473 3.112 0 40 HGAB Cc1c(C(=O)NC[C@@H](CO)Cc2ccccc2F)nnn1-c1ccc(F)c(Cl)c1 72303093 BMTQHFCZNJMASD-ZDUSSCGKSA-N 420.847 3.088 0 40 HGAB C[C@@H](C(=O)Nc1ccc2ccccc2c1)N1CCN(C(=O)c2ccccc2O)CC1 72308219 UNSRGGVBAPTYJP-KRWDZBQOSA-N 403.482 3.330 0 40 HGAB COc1ccc2c(c1)N[C@@]1(COC3(CCN(Cc4cncn4C)CC3)C1)c1cccn1-2 72327231 XFRYSRAXJMEJGQ-DEOSSOPVSA-N 419.529 3.295 0 40 HGAB NC(=O)N1CC[C@@H](NC(=O)CS[C@H](c2ccccc2)c2ccc(Cl)cc2)C1 78808907 CTZXMBIQBVLFIK-IEBWSBKVSA-N 403.935 3.432 0 40 HGAB O=C1C[C@H]2CC[C@@H](CN1)N2C(=O)c1ccc(Oc2cccc(Br)c2)nc1 79000761 FSLZRXYUFQZYPG-CABCVRRESA-N 416.275 3.130 0 40 HGAB CC(C)[C@H](NC(=O)N1CCN(c2ccc(Cl)cc2)CC1)C(=O)NCc1ccco1 79490969 MUASKOJJFBMPQZ-IBGZPJMESA-N 418.925 3.106 0 40 HGAB O=C(CSc1nc(COc2ccc(Cl)cc2)n[nH]1)Nc1ccc2c(c1)OCO2 89793278 DABJFHMGMGCLFQ-UHFFFAOYSA-N 418.862 3.497 0 40 HGAB COc1ccc(CN(C)C(=O)c2ccncc2I)cc1F 95447068 ZQDWIINPDFMSBR-UHFFFAOYSA-N 400.191 3.106 0 40 HGAB COc1ccc(CN2C(=O)[C@@H]3C[C@@H](CN3C3CCOCC3)Oc3ccccc32)cc1 96111884 DKCQOWHAFZPBMZ-UNMCSNQZSA-N 408.498 3.243 0 40 HGAB biogenic,in-vitro O=C(CCCCCn1cnc2ccccc2c1=O)NCCc1nc2ccccc2[nH]1 96231690 ZZLKPIPTDLWTML-UHFFFAOYSA-N 403.486 3.192 0 40 HGAB COc1ccc(CNC(=O)/C(=C\c2ccco2)n2nnnc2-c2ccccc2)cc1 96820701 RKFHSXLQYBGRRG-XSFVSMFZSA-N 401.426 3.256 0 40 HGAB Cc1cc(-c2cnc(N(C)C)nc2[C@H]2CC[C@H](CNC(=O)[C@H]3CCCO3)CC2)on1 100743941 SNAHWHTVSPPFKU-SOLBZPMBSA-N 413.522 3.075 0 40 HGAB CCCc1cc(=O)oc2c(C)c(OCC(=O)NC[C@H]3CC[C@H](C(=O)O)CC3)ccc12 100761935 NLJUWKREJFIEKR-IYBDPMFKSA-N 415.486 3.440 0 40 HGAB COCCN1C[C@H](c2cc(O)n3nc(-c4ccc(Cl)cc4Cl)cc3n2)CC1=O 100775528 SWEFHCSIIBWTML-LLVKDONJSA-N 421.284 3.371 0 40 HGAB CC1=NN(c2cccc(Cl)c2)C(=O)/C1=N/Nc1c(C)n(C)n(-c2ccccc2)c1=O 102573031 NOUSOWOLXQXQLQ-PTGBLXJZSA-N 422.876 3.328 0 40 HGAB COc1ccc(C(=O)/C=c2/[nH]c(=O)/c(=C/c3ccc(Cl)c(Cl)c3)s2)cc1 102971202 ILWUGAKJJQQLJK-XFQWXJFMSA-N 406.290 3.244 0 40 HGAB CC[C@@H](C(=O)NCc1cccc(OC(C)C)c1)N(c1ccccc1F)S(C)(=O)=O 113968413 ZLLXRQDILXWSGH-IBGZPJMESA-N 422.522 3.474 0 40 HGAB O=C1c2ccccc2[C@H](NCCCN2CCOCC2)N1CCc1ccc(Cl)cc1 199409070 DSNMTZIKDLTKKR-JOCHJYFZSA-N 413.949 3.349 0 40 HGAB CCN(c1ccc(C(=O)NCCCc2ccccc2OC)cc1)S(=O)(=O)CC 222399928 VHRBHHFQLWWFNI-UHFFFAOYSA-N 404.532 3.234 0 40 HGAB CN(CC(=O)NCCSC1CCCC1)S(=O)(=O)c1ccc2ccccc2c1 223424477 DMCWIKIAKXRNFA-UHFFFAOYSA-N 406.573 3.252 0 40 HGAB CCOc1ccc(N(CC(=O)N[C@@H](C)c2ccc(CC)cc2)S(C)(=O)=O)cc1 224524934 STMHKWQFRXLKNU-INIZCTEOSA-N 404.532 3.291 0 40 HGAB COc1cc(OC)cc(OCC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC(C)C)c1 225469638 ZVWJXIOJAVUXPA-QGZVFWFLSA-N 414.502 3.025 0 40 HGAB COc1ccc(Br)c(C(=O)NCC2CCN([C@H]3CCSC3)CC2)c1 225571402 OCBWROBLAASPQZ-AWEZNQCLSA-N 413.381 3.405 0 40 HGAB Cc1ccc(OC[C@@H](C)NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1C 225572055 FUVCLYJMTVDHDJ-GOSISDBHSA-N 416.543 3.285 0 40 HGAB COc1ccc(OC)c([C@H](C)NC(=O)c2cc(NS(C)(=O)=O)ccc2Cl)c1 225632244 VYTCTXYAWLRULJ-NSHDSACASA-N 412.895 3.220 0 40 HGAB CC[C@H](C(=O)Nc1nnc(-c2ccccc2)s1)N(c1ccccc1)S(C)(=O)=O 225885381 YCSVOCHBUSRNCU-MRXNPFEDSA-N 416.528 3.388 0 40 HGAB FC(F)(F)c1ccc(N2CCN(C3CCN([C@@H]4CCSC4)CC3)CC2)nc1 244998800 KTYCUWORLHQRTK-QGZVFWFLSA-N 400.514 3.192 0 40 HGAB N=C(N)NC[C@H]1CC[C@H](C(=O)Oc2ccccc2C(=O)OCc2ccccc2)CC1 250643992 IAXUQWSLRKIRFR-SAABIXHNSA-N 409.486 3.238 0 40 HGAB CC(=O)N1CCC(Cc2ccc(F)cc2)(C(=O)N2CCC[C@H](c3ccn[nH]3)C2)CC1 257203816 ARTNQJGGVYLOJE-IBGZPJMESA-N 412.509 3.126 0 40 HGAB NC(=O)c1ccc(-c2cccc([C@@H]3CN(C(=O)c4ccc(F)cc4)CCO3)n2)cc1 257219748 DHZUPYSPZAECGV-NRFANRHFSA-N 405.429 3.200 0 40 HGAB CC(C)(C)OC(=O)N1CCC([C@H](C(=O)O)c2cccc(Nc3ccn[nH]3)n2)CC1 257332746 XYMLSPNFVGZDPP-KRWDZBQOSA-N 401.467 3.364 0 40 HGAB c1cc(N2CCOCC2)n2cc([C@H]3CN(Cc4ccoc4)CCN3CC3CC3)nc2c1 306138121 RPVKGBMPHFTJHH-JOCHJYFZSA-N 421.545 3.033 0 40 HGAB CCS(=O)(=O)N(CC(=O)Nc1ccc(C(C)C)cc1)c1ccc2c(c1)OCO2 408705796 NQAZMWHFPIIODX-UHFFFAOYSA-N 404.488 3.334 0 40 HGAB Cc1ccccc1CNC(=O)c1ccccc1NC(=O)C(=O)NCc1ccccc1 408708864 MMNBRYNGRVUINP-UHFFFAOYSA-N 401.466 3.180 0 40 HGAB Cc1cc(-c2c3c(nc4c2c(=O)n(C)c(=O)n4C)-c2ccccc2[C@@H]3O)cc(C)c1C 408982188 IWPKAXBQRRBRRP-QFIPXVFZSA-N 413.477 3.287 0 40 HGAB COc1ccc([C@H]2[C@H](NC(=O)c3ccc(C)cc3)C(=O)N/[N+]2=C\c2ccccc2)cc1 409060442 VEUWPXRMHZBIRG-LIFFMEMSSA-O 414.485 3.020 0 40 HGAB COc1ccccc1OCc1nnc(SCC(=O)N[C@@H]2CCCC[C@H]2C)n1C 409341454 AYQLJEWJDRZMOY-HUUCEWRRSA-N 404.536 3.190 0 40 HGAB CC(=O)c1ccccc1OCCN1CCN(CCOc2ccccc2C(C)=O)CC1 501389455 TWFQPOYEUZJBQM-UHFFFAOYSA-N 410.514 3.167 0 40 HGAB CCN1CCN(C(=O)CCOC)[C@@H](Cc2ccccc2-c2ccccc2OC)C1=O 585168870 VVJHIKAEIHDBOW-NRFANRHFSA-N 410.514 3.001 0 40 HGAB CC(C)(C)c1ccc(OCC2CCN(S(=O)(=O)c3cccc(F)c3)CC2)nn1 1775969715 HYNOPSCRXSWNQO-UHFFFAOYSA-N 407.511 3.393 0 40 HGAB COc1cc(C(=O)N2CCC[C@H](COc3cccc(C)n3)C2)cc(OC)c1OC 1775970185 FWKQFYQAEDIDNF-INIZCTEOSA-N 400.475 3.347 0 40 HGAB Cc1cc(C)n(-c2cc(N3CCN(c4nc5ccccc5nc4C)CC3)nc(C)n2)n1 1889237643 OYUREXDULOSDNY-UHFFFAOYSA-N 414.517 3.166 0 40 HGAB CCOC(=O)[C@@](NCc1ccccc1OC)(NC(=O)c1ccccc1)C(F)(F)F 20828832 CWHURWOIEULVRB-LJQANCHMSA-N 410.392 3.037 0 40 HGAB CCSc1nnc(C(F)F)n1NC(=O)Cn1nc(C(F)(F)F)cc1C1CC1 2791826 YVMKHXKRRKUPPU-UHFFFAOYSA-N 410.372 3.191 0 40 HGAB COc1ccc(NC(=O)[C@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)cc1OC 3297576 HEFRUSVOTSBPHR-SFHVURJKSA-N 420.531 3.344 0 40 HGAB NC(=O)c1c(NC(=O)COC(=O)c2c(F)cccc2Cl)sc2c1CCCC2 3309242 SVFJSUWERKZLIH-UHFFFAOYSA-N 410.854 3.314 0 40 HGAB O=C1Nc2ccc(-c3ccco3)cc2C(=O)N2CCN(C(=O)NC3CCCCC3)C[C@H]12 4236002 CBSDCORPODZBHG-LJQANCHMSA-N 422.485 3.067 0 40 HGAB biogenic,in-vitro CCN(Cc1ccc(OCc2ccccc2)cc1)C(=O)c1ccc(=O)n(CCOC)n1 21703887 ZFFYXSCUPDHBHB-UHFFFAOYSA-N 421.497 3.131 0 40 HGAB CCOC(=O)C(=O)Nc1sc(C(=O)Nc2ccc(Cl)cc2)c(C)c1C(=O)OC 6544832 XFHCKFDVODJIPA-UHFFFAOYSA-N 424.862 3.250 0 40 HGAB CCCC(=O)Nc1ccc(C(=O)[C@@H](C)OC(=O)c2n[nH]c(=O)c3ccccc23)cc1 57840953 AZSCJLVUWUODER-CYBMUJFWSA-N 407.426 3.090 0 40 HGAB COc1cc(C(=O)N2CCN(CCN3CCCC3)CC2)ccc1OCc1ccccc1 22933431 GUNUQWVGCZFHME-UHFFFAOYSA-N 423.557 3.128 0 40 HGAB Cn1ccnc1[C@@H](NC(=O)CCC(=O)c1ccc2c(c1)OCCO2)c1cccc(F)c1 23779360 DKGDKDNGBNJIIJ-QFIPXVFZSA-N 423.444 3.199 0 40 HGAB CCCN(Cc1nc(O)c2ccc(C(=O)OC)cc2n1)Cc1nnc(-c2ccco2)o1 23882374 RWXDCWBQSSAFGQ-UHFFFAOYSA-N 423.429 3.177 0 40 HGAB COc1cc(CCNC(=O)[C@H]2CC(=O)N(c3ccccc3F)C2)ccc1OC(F)F 23953191 QZAFJRICZROHKY-AWEZNQCLSA-N 422.403 3.148 0 40 HGAB Cc1cc(=O)c(C(=O)Nc2cccc(Cn3ccnc3)c2)nn1-c1ccccc1F 25174326 MXGMMJRHXLTDBY-UHFFFAOYSA-N 403.417 3.177 0 40 HGAB COc1ccc([C@H](CNC(=O)c2ccc(SC)cc2OC)N2CCOCC2)cc1 24527423 UQYIBGIVDVQQPZ-FQEVSTJZSA-N 416.543 3.229 0 40 HGAB CSCc1nc2ccccc2n1CC(=O)NCC(=O)Nc1ccc(F)c(F)c1F 12544359 VBYGPRFSOFCFND-UHFFFAOYSA-N 422.432 3.072 0 40 HGAB CCOC(=O)CCc1c(C)c2ccc3c(c2oc1=O)CN(Cc1ccccn1)CO3 57140157 BKQKRKDYXFWOGM-UHFFFAOYSA-N 408.454 3.344 0 40 HGAB COC(=O)c1c(NC(=O)COc2ccccc2C)sc2c1[C@H](C(=O)OC)CC2 1747481 JTJLCSGLTAVADU-GFCCVEGCSA-N 403.456 3.063 0 40 HGAB Cc1ccccc1-n1c(=O)c2sccc2n(CC(=O)N2CCc3ccccc32)c1=O 57489850 BOHOSEDRQPJQQL-UHFFFAOYSA-N 417.490 3.112 0 40 HGAB COC(=O)c1[nH]c2cc(C)ccc2c1NC(=O)CN1CCN(c2ccccc2F)CC1 61927112 QVJAQEQGLLQFJU-UHFFFAOYSA-N 424.476 3.163 0 40 HGAB COc1ccc(N(CC(=O)N2CCc3ccccc32)S(=O)(=O)c2ccccc2)cc1 3280643 CPBDDERILDJHER-UHFFFAOYSA-N 422.506 3.480 0 40 HGAB CN1CCN(c2ccc(NC(=O)COc3ccccc3Cc3ccccc3)cn2)CC1 12613490 DQLFKLITRYSHEQ-UHFFFAOYSA-N 416.525 3.442 0 40 HGAB C[C@]1(c2cc3ccccc3o2)NC(=O)N(CC(=O)NCCCCc2ccccc2)C1=O 28124813 JHRRWKMSUNAEIM-XMMPIXPASA-N 419.481 3.339 0 40 HGAB Cc1c(-c2ccccc2)oc2c(C(=O)NCc3nnc4n3CCC4)cccc2c1=O 36395290 QJXPTFQDMQWNTO-UHFFFAOYSA-N 400.438 3.236 0 40 HGAB Cc1ccc([C@@H]2c3c(n(C)c(=O)n(C)c3=O)N=C3c4ccccc4C(=O)[C@@H]32)c(C)c1C 408733154 FHMOCZCUZCYEDM-RBUKOAKNSA-N 413.477 3.088 0 40 HGAB Cc1cccc(S(=O)(=O)c2c(N)n(C[C@H]3CCCO3)c3nc4ccccc4nc23)c1 2404361 NUIGMGMPPDPRGD-OAHLLOKOSA-N 422.510 3.487 0 40 HGAB CN(CC(=O)Nc1ccc(Cl)cc1)S(=O)(=O)c1cccc(Br)c1 3416126 XDGMQCVZUBUWHD-UHFFFAOYSA-N 417.712 3.362 0 40 HGAB C[C@@H](Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1)c1ccc2ccccc2c1 12974315 BZPCYKMRIDMFSZ-QGZVFWFLSA-N 410.543 3.344 0 40 HGAB CCOC(=O)c1ccc(S(=O)(=O)Oc2cccc(OC)c2)c(Br)c1 12999529 TUTSSFMLTZZVLK-UHFFFAOYSA-N 415.261 3.402 0 40 HGAB COc1ccc2nc(NC(=O)CS[C@H](C)C(=O)Nc3cc(C)on3)sc2c1 12944371 OSVMGQWULLWCNK-SNVBAGLBSA-N 406.489 3.300 0 40 HGAB C[C@]12CCC(=O)C[C@@H]1CC[C@H]1[C@@H]3CC[C@@]4(OCO[C@@]45COCO5)[C@@]3(C)CC(=O)[C@H]12 3882026 ZQDVAXPMAQYWLD-ITRRYRFESA-N 404.503 3.221 0 40 HGAB biogenic CCOC(=O)Cc1csc(NC(=O)[C@H](CC(C)C)NC(=O)C2CCCCC2)n1 4778530 XHCRMYUFQXKUJE-INIZCTEOSA-N 409.552 3.298 0 40 HGAB COC(=O)c1nc2n(n1)[C@H](c1ccc(F)cc1)C(C(=O)OC1CCCCC1)=C(C)N2 4875863 MTXZJDPKENJPEV-QGZVFWFLSA-N 414.437 3.369 0 40 HGAB COc1ccc(Cl)cc1N([C@@H](C)C(=O)NCc1ccc(C)cc1)S(C)(=O)=O 113940913 QUKJQLDPZIFOOP-AWEZNQCLSA-N 410.923 3.128 0 40 HGAB COCCCNS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(Cl)cc1 20766319 GYVRFSLMWJBQLY-UHFFFAOYSA-N 422.934 3.248 0 40 HGAB CC(C)(C)NC(=O)Cn1c(=O)cc(-c2nc(-c3ccncc3)no2)c2ccccc21 67318197 GZKDDKQBTAEBPD-UHFFFAOYSA-N 403.442 3.028 0 40 HGAB Cc1ccccc1-n1c(-c2ccc(Cl)cc2)cn2c3c(=O)n(C)c(=O)n(C)c3nc12 9159075 FTGKBCHHUZCQOB-UHFFFAOYSA-N 419.872 3.304 0 40 HGAB CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)N2CCCc3ccccc32)cc1 7734622 JPQIJHGGYJFIME-UHFFFAOYSA-N 414.527 3.269 0 40 HGAB CN1CCC(N(C)S(=O)(=O)c2ccc(NC(=O)CCc3ccsc3)cc2)CC1 7990301 BCKUZENCTAZRQG-UHFFFAOYSA-N 421.588 3.034 0 40 HGAB O=C(O)[C@@H]1CC=CC[C@H]1C(=O)Nc1ccn(Cc2ccc(Br)cc2)n1 17082804 GVEFGKUEHIHUSF-HUUCEWRRSA-N 404.264 3.299 0 40 HGAB C[C@@H]1Oc2c(C(=O)Nc3ccc(S(=O)(=O)Nc4ncccn4)cc3)cccc2[C@H]1C 9468126 UDYLJKACKWQMKR-KBPBESRZSA-N 424.482 3.414 0 40 HGAB COC(=O)c1nc(NC(=O)CC2(Cn3cnnn3)CCCCC2)sc1C(C)C 79481402 CJSVWTGBFRMAIP-UHFFFAOYSA-N 406.512 3.019 0 40 HGAB CN(CC(=O)N1N=C(c2ccco2)C[C@H]1c1ccco1)Cc1ncc(Cl)n1C 95466187 SAAOPFDMZBOMPV-AWEZNQCLSA-N 401.854 3.069 0 40 HGAB COc1ccc(N(CCCC(=O)N[C@@H](C)c2ccc(F)cc2)S(C)(=O)=O)cc1 113961063 LLIYHDRGQBEGET-HNNXBMFYSA-N 408.495 3.258 0 40 HGAB Cc1cc2nc3s/c(=C\c4cc(Br)c(O)cc4O)c(=O)n3c2cc1C 408721516 RXSJJQDDJBEUQA-SOFYXZRVSA-N 417.284 3.247 0 40 HGAB CCOC(=O)[C@H]1C(=O)N=C(N2CCc3ccccc3C2)N[C@@H]1c1ccc(CC)cc1 20636809 DZNASELIPNGVDN-NHCUHLMSSA-N 405.498 3.014 0 40 HGAB C[C@H](Oc1ccc2c(c1)CCC2)c1nc(-c2cccc([C@@]3(C)NC(=O)NC3=O)c2)no1 545655046 VXTKKKKMVAONRK-ZAMGYDSWSA-N 418.453 3.420 0 40 HGAB Cc1cccc(NC(=O)CSc2nnc(CNC(=O)c3ccccc3)n2C)c1C 409165992 BPZVLJCNBDMCDI-UHFFFAOYSA-N 409.515 3.093 0 40 HGAB CC(C)CCNC(=O)COc1ccc(S(=O)(=O)NC2CCCC2)cc1Cl 408584792 VBUMZADOFUZBQK-UHFFFAOYSA-N 402.944 3.102 0 40 HGAB CCOc1cc(C(=S)N2C[C@H](C)O[C@@H](C)C2)cc(I)c1O 409253540 ZMWNANTUVVRMRJ-UWVGGRQHSA-N 421.300 3.180 0 40 HGAB Cn1c(N2CCN(Cc3ccccc3Cl)CC2)nc2sc3c(c2c1=O)CCC3 61966197 CDVINDNSNMDMDY-UHFFFAOYSA-N 414.962 3.459 0 40 HGAB CCOc1cc([C@H]2C(C(=O)Nc3ccccc3OC)=C(C)Nc3ncnn32)ccc1O 39427833 CJRYMHUDJJJRAA-FQEVSTJZSA-N 421.457 3.319 0 40 HGAB Cc1ccc(-n2nc(C(=O)N[C@@H](CO)Cc3c[nH]c4ccccc34)c3c2CCC3)cc1 538862459 ABKXPAZCAMODKI-GOSISDBHSA-N 414.509 3.484 0 40 HGAB CCOc1ccc(N([C@@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)S(C)(=O)=O)cc1 216372375 MWPYMHDSKBLMLY-GJZGRUSLSA-N 408.495 3.256 0 40 HGAB CCN(CC)C(=O)c1cnc([C@H]2CCCCN2C(=O)c2scnc2C)nc1C 72345528 QUGSZIGGWWXYDJ-MRXNPFEDSA-N 401.536 3.399 0 40 HGAB COc1cc(OC)cc(OCC(=O)N2CCN(c3cc(Cl)ccc3C)CC2)c1 218889994 OCDOPMYAIGHYFJ-UHFFFAOYSA-N 404.894 3.393 0 40 HGAB CN(C)CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1cccnc1 223212623 JNNWRZLVDBMYOS-LEWJYISDSA-N 406.559 3.192 0 40 HGAB Cc1ccn2c(=O)c(C(=O)NCC(C)(C)c3ccc(Br)cc3)cnc2c1 40113445 QBCRUBQOGYCPKZ-UHFFFAOYSA-N 414.303 3.473 0 40 HGAB CCOC(=O)N1CCN(C(=O)CCSc2ncnc3sc(C)c(C)c23)CC1 47244721 AMQYWCHGGFDZNV-UHFFFAOYSA-N 408.549 3.091 0 40 HGAB Cc1ccc(N([C@@H](C)C(=O)NCCc2ccc(Cl)cc2)S(C)(=O)=O)cc1C 223890347 PSJYRYIAMMLPSQ-INIZCTEOSA-N 408.951 3.470 0 40 HGAB COc1cccc(N(CCCC(=O)NCCCc2ccc(F)cc2)S(C)(=O)=O)c1 222594441 QKTGQTBOSWJJMH-UHFFFAOYSA-N 422.522 3.130 0 40 HGAB Cc1ccc(OCCNC(=O)c2ccc(C)c(S(=O)(=O)N3CCCC3)c2)c(C)c1 224023633 RGDOPVYTDRNQDG-UHFFFAOYSA-N 416.543 3.205 0 40 HGAB O=C(O)c1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCCO)o2)cc1 223631739 MTXANBLRWVXZCW-PMACEKPBSA-N 423.494 3.395 0 40 HGAB CS(=O)(=O)N(CC(=O)NCCc1ccc(F)cc1)c1cc(Cl)cc(Cl)c1 223664084 WABMBBBZDXCWOX-UHFFFAOYSA-N 419.305 3.257 0 40 HGAB CC(=O)Nc1nnc(S(=O)(=O)N[C@H](c2ccccc2)c2ccc(C)cc2C)s1 225796206 NEPCKPDSCGFOBM-QGZVFWFLSA-N 416.528 3.181 0 40 HGAB COc1ccc(OC)c(N([C@H](C)C(=O)Nc2c(C)cc(C)cc2C)S(C)(=O)=O)c1 220215089 NXLCLOWMNVJBNT-MRXNPFEDSA-N 420.531 3.422 0 40 HGAB CCOc1ccc(NC(=O)[C@@]23C[C@@H]2CN(c2c(C)cccc2C)S3(=O)=O)cc1 225939289 ZUDVTPFWBSHVNS-IIBYNOLFSA-N 400.500 3.249 0 40 HGAB Cc1ccc(CCCNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)cc1 225506751 OLHJQVDHZVFRNP-FQEVSTJZSA-N 400.544 3.145 0 40 HGAB O=S1(=O)c2ccccc2[C@]2(CCN(Cc3cccnc3)C2)N1Cc1ccccc1 96261912 KOXWRZSHAHTHOC-HSZRJFAPSA-N 405.523 3.387 0 40 HGAB CCNC(=O)C1(Cc2cccc(-c3cccs3)c2)CCN(C(=O)COC)CC1 257325411 WSVAVRNQLDCRDU-UHFFFAOYSA-N 400.544 3.349 0 40 HGAB COc1cccc(N(CCCC(=O)NC[C@H](C)c2ccccc2)S(C)(=O)=O)c1 260844228 HXYPPCLTALOHAB-KRWDZBQOSA-N 404.532 3.161 0 40 HGAB CC(=O)Nc1cc(S(=O)(=O)N(C)[C@@H]2CCCN(c3ccccc3)C2)ccc1C 605591458 RHTGWOWOFQQPNW-LJQANCHMSA-N 401.532 3.243 0 40 HGAB Cc1cc(C)n(-c2nc(CCNS(=O)(=O)c3ccc4c(c3)CCCC4)cs2)n1 90609402 QUPFMBYUIJYBIL-UHFFFAOYSA-N 416.572 3.345 0 40 HGAB O=C(C[C@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1)Nc1ccc2c(c1)OCO2 11612833 FIDYEJWADOJPPH-MRXNPFEDSA-N 420.462 3.126 0 40 HGAB CCS(=O)(=O)N(C)c1ccc(C(=O)NCCSCc2ccccc2F)cc1 13649282 JFLZONJNAWTHSV-UHFFFAOYSA-N 410.536 3.275 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(NS(=O)(=O)Cc2ccc(Cl)cc2)cc1 14291504 LXROIDYFCJFFEJ-UHFFFAOYSA-N 416.952 3.312 0 40 HGAB COc1ccccc1-c1ccccc1C[C@H]1CN(Cc2cnc(C)nc2)CCNC1=O 19287239 JFZXEWJAGVNRSL-NRFANRHFSA-N 416.525 3.251 0 40 HGAB C[C@@H]1Oc2ccccc2N([C@@H](C)C(=O)Nc2ccccc2OCCn2cccn2)C1=O 19462070 UXGLFDZEXWQJGT-IRXDYDNUSA-N 420.469 3.103 0 40 HGAB CCc1cccc(CC)c1NC(=O)CN1CCN(Cc2ccc3c(c2)OCO3)CC1 19523020 WMZBJOZDQACVCQ-UHFFFAOYSA-N 409.530 3.296 0 40 HGAB O=C(C[C@H]1C=CCC1)N1CCC(c2ccc3c(NCc4ncc[nH]4)n[nH]c3n2)CC1 19745164 WVZYCSMNRACQPQ-HNNXBMFYSA-N 405.506 3.355 0 40 HGAB Cc1cc(N2C[C@@H]3CN(c4ncccc4C(F)(F)F)C[C@@H]3C2)n2nc(C)cc2n1 1888906636 WPBPCCPDAMPCHN-GASCZTMLSA-N 402.424 3.333 0 40 HGAB Cc1ncoc1C(=O)N1CCC[C@]2(CCCCc3ccccc3OCC(=O)NC2)C1 1848354453 NOGSDGGWUIKBQB-QHCPKHFHSA-N 411.502 3.127 0 40 HGAB O=C(c1ccc(N2CCCC2=O)cc1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 25748240 MCORYFIIDDHSSD-UHFFFAOYSA-N 418.419 3.190 0 40 HGAB CS(=O)(=O)Cc1nc2ccccc2n1CC(=O)Nc1cccc(C(F)(F)F)c1 27028879 BUUTTXPQNGTTIC-UHFFFAOYSA-N 411.405 3.238 0 40 HGAB C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)c1ccc(Br)cc1F 29474115 AHYFNKBQEUIIOC-JTQLQIEISA-N 415.284 3.069 0 40 HGAB COc1cc(-c2nc3s/c(=C/C=C/c4ccccc4)c(=O)n3n2)cc(OC)c1OC 33551248 FMSARYIBEHCHLH-PFMZDYLOSA-N 421.478 3.057 0 40 HGAB Cc1ccnc(SCc2cc(=O)c(OC(=O)COc3ccccc3F)co2)n1 4377330 ZOSLBIZFIUUVJC-UHFFFAOYSA-N 402.403 3.154 0 40 HGAB CCCCN1C(SCC(=O)NCc2ccccc2)=NS(=O)(=O)c2ccccc21 9530310 VGESNGHCOKOPTO-UHFFFAOYSA-N 417.556 3.401 0 40 HGAB COc1ccc(-c2csc(NC(=O)CS(=O)(=O)c3ccc(OC)cc3)n2)cc1 10219279 IEXPQSCFSANIGV-UHFFFAOYSA-N 418.496 3.240 0 40 HGAB O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(CC(=O)N2CCOCC2)cc1 13714625 NPGDQYUWEQZSHS-UHFFFAOYSA-N 423.296 3.412 0 40 HGAB O=C(c1cc2cc(Cl)ccc2[nH]1)N1CCC(n2c(O)nc3ncccc3c2=O)CC1 575619068 ZOKKKKXNHDCTLI-UHFFFAOYSA-N 423.860 3.109 0 40 HGAB O=C(CN1C(=O)COc2cc(Br)ccc21)N[C@H](c1ccccc1)C1CC1 31749422 MSBDCIAKCITLTC-HXUWFJFHSA-N 415.287 3.442 0 40 HGAB COc1ccc(Cl)cc1C(=O)NC1CCN(c2ncnc3c2CCCC3)CC1 225737687 VUCBVBGTRIQXAL-UHFFFAOYSA-N 400.910 3.416 0 40 HGAB O=C(CCC(=O)NC1CCCCCCCCCCC1)NCCCN1CCOCC1 20169304 ORYXLKLLXSQBMV-UHFFFAOYSA-N 409.615 3.395 0 40 HGAB CCOc1ccccc1NC(=O)C1=C(C)NC(=O)N[C@@H]1c1cccc(OC)c1OC 641201 IMXZNZYGEZLJMC-LJQANCHMSA-N 411.458 3.369 0 40 HGAB C[C@@H]1CCc2c(sc3ncn4c(SCC(=O)NCc5ccco5)nnc4c23)C1 929575 PFJQSMVLMBMGIL-LLVKDONJSA-N 413.528 3.465 0 40 HGAB COCCn1c(N)c(C(=O)NCc2ccc(Cl)cc2)c2nc3ccccc3nc21 2250906 ZAELOEMCCZEOQK-UHFFFAOYSA-N 409.877 3.397 0 40 HGAB CCc1cccc(C)c1NC(=O)CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O 2651423 RBWVNUWJIMNVGO-IBGZPJMESA-N 404.470 3.140 0 40 HGAB CC1=C(C(N)=O)[C@@H](c2cccs2)N2NC(SCc3ccccc3F)=NC2=N1 2718945 ZQDWXILIPIWWTQ-OAHLLOKOSA-N 401.492 3.167 0 40 HGAB CC(C)c1nc(SCc2c(F)cccc2Cl)c2c(=O)n(C)c(=O)n(C)c2n1 4139030 TVFGXHKMCBYKET-UHFFFAOYSA-N 408.886 3.235 0 40 HGAB O=C(c1cnccn1)N1C[C@@H]2C[C@H](C1)c1ccc(-c3ccc(Cl)cc3)c(=O)n1C2 4237119 RLDKHURFIUAPDU-GOEBONIOSA-N 406.873 3.218 0 40 HGAB biogenic,in-vitro C[C@H](c1nnc(SCC(=O)NCc2cccs2)n1-c1ccc(F)cc1)N(C)C 4500405 QKOMJEOERXYLLY-CYBMUJFWSA-N 419.551 3.499 0 40 HGAB CCOC(=O)c1c(NC(=O)c2ccc(C(=O)O)cc2C(=O)O)sc2c1CCCC2 4853050 CSOUBZAABYRNDW-UHFFFAOYSA-N 417.439 3.452 0 40 HGAB CCOC(=O)c1sc(NC(=O)[C@@H]2CC(=O)N(c3cccc(C)c3C)C2)nc1C 4943379 BDMFOZCEHNPHAW-CQSZACIVSA-N 401.488 3.237 0 40 HGAB COc1ccc(-c2noc(CN(C)C(=O)COc3ccc(C)cc3C)n2)cc1OC 4943632 ZOLJZNPWTXTVAL-UHFFFAOYSA-N 411.458 3.408 0 40 HGAB Cc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3n2CCO[C@@H]3c2cccs2)cc1 5345569 LLUQVXOBLFIQQB-HXUWFJFHSA-N 407.495 3.195 0 40 HGAB CC(C)COc1cccc(C(=O)NC(=S)Nc2sc3c(c2C(N)=O)CCC3)c1 6262865 DNGRTSKBGIQIJP-UHFFFAOYSA-N 417.556 3.497 0 40 HGAB O=C(CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)Nc1ccc(F)cc1 6581211 ZPYRUOYVPBBTOV-UHFFFAOYSA-N 403.413 3.260 0 40 HGAB Cc1cc(OCC(=O)NC[C@H](O)c2ccccc2)c2c3c(c(=O)oc2c1)CCCC3 6658648 RJNADXKWFNEOOB-IBGZPJMESA-N 407.466 3.209 0 40 HGAB O=C(COc1ncnc2c(Cl)cc(Cl)cc12)NC(=O)NCc1ccccc1 7159270 HRXOACKGWPXDDS-UHFFFAOYSA-N 405.241 3.341 0 40 HGAB C[C@@H](OC(=O)CNC(=O)c1cc(Cl)ccn1)C(=O)Nc1ccc2ccccc2c1 7739512 UCSSETMMZYMEOK-CYBMUJFWSA-N 411.845 3.188 0 40 HGAB Cc1ccc([C@@H](NCC(=O)N2CCN(c3ccccn3)CC2)c2cccs2)cc1 7753520 ROFABABSJVEZNL-HSZRJFAPSA-N 406.555 3.479 0 40 HGAB COc1ccc(NC(=O)CNc2cc(Cl)ccc2N2CCOCC2)cc1OC 7977293 ZZDCNFVWBHUJJJ-UHFFFAOYSA-N 405.882 3.244 0 40 HGAB COc1cccc(CNC(=O)C2CCC(C(=O)NCc3cccc(OC)c3)CC2)c1 8331603 ZTODLKACFRBIJQ-UHFFFAOYSA-N 410.514 3.443 0 40 HGAB COc1ccc(C(=O)NCc2ccccc2)cc1S(=O)(=O)NC1CCCCC1 8475758 PGTPYUOZDFJPFR-UHFFFAOYSA-N 402.516 3.236 0 40 HGAB CCOc1cc(C(=O)NC[C@H]2COc3ccccc3O2)cc(Br)c1OC 9128026 QMCXPHYMQQAAOL-ZDUSSCGKSA-N 422.275 3.426 0 40 HGAB CCOc1ccc([C@H]2c3c(oc4cc(OC)ccc4c3=O)C(=O)N2CCN(C)C)cc1 9328359 ZYFLZKYVSUGSCD-NRFANRHFSA-N 422.481 3.307 0 40 HGAB O=C(CCSc1nnnn1C1CCCC1)Nc1ccc(N2CCCC2=O)cc1 9549296 BAYZERZVYFSEMY-UHFFFAOYSA-N 400.508 3.036 0 40 HGAB COc1ccc(-c2n[nH]c(SCC(=O)Nc3ccccc3C(=O)NC3CC3)n2)cc1 9580455 UEVXZAYKJNPHJG-UHFFFAOYSA-N 423.498 3.103 0 40 HGAB CC(=O)Nc1ccc(C(=O)COC(=O)Cn2c(C(F)(F)F)nc3ccccc32)cc1 9586416 HDONVHWSGRJYNK-UHFFFAOYSA-N 419.359 3.440 0 40 HGAB COc1ccc(C)cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(C)cc2)C1 9974733 ATKOJQNBUBXJGP-QGZVFWFLSA-N 402.516 3.351 0 40 HGAB CC[C@H](C)n1c(C)c(C)n2c3c(=O)n(Cc4ccccc4Cl)c(=O)n(C)c3nc12 10104244 FIPCJNOZJFGINY-LBPRGKRZSA-N 413.909 3.439 0 40 HGAB CCOC(=O)c1ccc(NC(=O)CN(c2ccc(C)c(C)c2)S(C)(=O)=O)c(C)c1 10446765 PYOTXALMJYLTNB-UHFFFAOYSA-N 418.515 3.193 0 40 HGAB Cc1nc(COc2ccc(C(=O)O[C@@H](C)C(=O)N3c4ccccc4C[C@H]3C)cc2)no1 12072895 QMSXCWIZECRIKO-CABCVRRESA-N 421.453 3.480 0 40 HGAB CO[C@H]1CCC[C@@H](C(=O)N2CCC[C@H]2Cn2nc(-c3ccc(F)cc3)ccc2=O)C1 12144934 LLOSWUFTIIOPKK-HOJAQTOUSA-N 413.493 3.246 0 40 HGAB C[C@H]1CCc2c(sc3ncn(C4CCN(C(=O)c5ccncc5)CC4)c(=O)c23)C1 12145474 ZPKIJSOLQZZOCR-AWEZNQCLSA-N 408.527 3.455 0 40 HGAB COC(=O)C[C@@H](NC(=O)C1=C(C(=O)O)CCCC1)c1ccc(Br)cc1C 12464343 JVWDQUNRXNWURP-MRXNPFEDSA-N 424.291 3.433 0 40 HGAB O=C1O[C@H](N2C(=O)CC[C@H]2C(=O)Nc2ccc(OC(F)(F)F)cc2)c2ccccc21 12661801 HYVKOTHXSVXPKJ-YJBOKZPZSA-N 420.343 3.384 0 40 HGAB biogenic C[C@H]1C[C@H](C)CN(Cc2csc(NC(=O)CNC(=O)c3ccccc3F)n2)C1 12783522 LAFDFCSACUHLBD-KBPBESRZSA-N 404.511 3.129 0 40 HGAB Fc1ccc(-c2nnc(Sc3ccc4nnnn4n3)n2Cc2ccccc2)cc1 12871011 FTEKOVWARXWYEH-UHFFFAOYSA-N 404.434 3.116 0 40 HGAB COc1ccc([C@H]2NC(=S)N[C@@](O)(C(F)(F)F)[C@@H]2C(=O)c2cccs2)cc1 13545809 GSFXSFLLWNKGBG-ZENOOKHLSA-N 416.446 3.026 0 40 HGAB CCOC(=O)C1=C(C)Nc2nc(SCC(=O)OC)nn2[C@@H]1c1ccc(Cl)cc1 14163470 CDBFYXZDIXUJIZ-OAHLLOKOSA-N 422.894 3.049 0 40 HGAB CCOC(=O)c1c(NC(=O)COC(=O)c2ccc(Cl)s2)oc(C)c1C(C)=O 14199134 BMBCHPLXIXSMFV-UHFFFAOYSA-N 413.835 3.478 0 40 HGAB CSc1cccc(NC(=O)Cn2nc3ccc(SC(C)(C)C)nn3c2=O)c1 16844599 DWIINTINMNWTBT-UHFFFAOYSA-N 403.533 3.142 0 40 HGAB Cc1ccc(N2C(=O)C[C@H](Sc3ccc(NC(=O)CCC(=O)O)cc3)C2=O)cc1 17089150 BOYYPZDYUZPOHM-KRWDZBQOSA-N 412.467 3.223 0 40 HGAB Cc1nnc2sc(-c3ccccc3NC(=S)NC(=O)COc3ccccc3)nn12 17093964 RHGCXPMTSPLCEQ-UHFFFAOYSA-N 424.511 3.053 0 40 HGAB COc1ccc(OC)c([C@@H]2CCCN2S(=O)(=O)c2ccc3c(c2)OCCO3)c1 17333269 KRJXECCATMALLA-KRWDZBQOSA-N 405.472 3.001 0 40 HGAB Fc1ccccc1Cn1cccc1CN(CCN1CCOCC1)Cc1cccnc1 19349783 HUIFOAXORITUPE-UHFFFAOYSA-N 408.521 3.405 0 40 HGAB COc1cc(CN2CCc3c(nc(C(C)C)nc3N3CCCC3)C2)cc(OC)c1O 19453605 GJHSXKDVJUZGAD-UHFFFAOYSA-N 412.534 3.481 0 40 HGAB COc1ccc(OCC(=O)N[C@@H]2CC(C)(C)Cc3nc(N4CCCC4)ncc32)cc1 19461399 KWJFBKLJPLMMES-LJQANCHMSA-N 410.518 3.294 0 40 HGAB CCc1nc(C)cc(N2CCN(C(=O)c3sc(-c4cccnc4)nc3C)CC2)n1 19523137 IQWNCVIBMGZGAV-UHFFFAOYSA-N 408.531 3.137 0 40 HGAB COc1ccc([C@H]2c3nc[nH]c3CCN2C(=O)c2cc(C)nc3onc(C)c23)cc1 19662724 MEQJRGNZBVHONG-FQEVSTJZSA-N 403.442 3.359 0 40 HGAB COc1ccc(-c2cc(C(=O)N3CC[C@@](O)(c4ccc(C)cc4)C3)[nH]n2)c(OC)c1 19716246 PDGUFMGZHZSFGP-QHCPKHFHSA-N 407.470 3.136 0 40 HGAB Cc1nc([C@H]2CCN(C(=O)c3ccnn3C)C2)ncc1C(=O)Nc1ccc(Cl)cc1 19753226 FDAIGNGNJVYONI-AWEZNQCLSA-N 424.892 3.054 0 40 HGAB Cc1nc(CC2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc(N2CCCC2)n1 19758823 IWEKMIGEODWXBC-UHFFFAOYSA-N 414.575 3.170 0 40 HGAB CCN(CC)C(=O)C[C@@H](c1ccc(OC)cc1)N(C)S(=O)(=O)c1ccccc1 19936123 OEHRQFSMICDRJH-FQEVSTJZSA-N 404.532 3.316 0 40 HGAB Cc1ccc(C)c2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)N3CCOCC3)cc12 19940862 UZIPHBAOKNGAAY-OAQYLSRUSA-N 422.533 3.058 0 40 HGAB CS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)c(Cl)c1 20458895 BPMABCYXPNFFLN-UHFFFAOYSA-N 407.879 3.091 0 40 HGAB COc1ccc(C)cc1CN1CCN(C(=O)c2ccc(N3CCCC3=O)cc2)CC1 24097001 IGEGDIBAFYHTKD-UHFFFAOYSA-N 407.514 3.088 0 40 HGAB C[C@@]1(c2cc3ccccc3o2)NC(=O)N(CC(=O)NCCSc2ccccc2)C1=O 30345983 HICDECODJZDUPY-QFIPXVFZSA-N 423.494 3.108 0 40 HGAB CCN(CC(=O)Nc1cccc(OC)c1)C(=O)c1ccc2c(c1)NC(=O)CCS2 30419773 DYNPOVTVJFQWEX-UHFFFAOYSA-N 413.499 3.230 0 40 HGAB O=c1nc2n(Cc3ccc(Cl)c(Cl)c3)cccc-2c(=O)n1Cc1ccccn1 32615382 MDGYCKIYCUXIGX-UHFFFAOYSA-N 413.264 3.308 0 40 HGAB C[C@H](Sc1nccn1-c1ccccc1)C(=O)NC(=O)Nc1ccc2c(c1)OCCO2 32752719 LWXFNHUOWCLUGP-AWEZNQCLSA-N 424.482 3.472 0 40 HGAB CCc1ccc(-n2ncc3c(=O)n(Cc4nc(-c5ccc(F)cc5)no4)cnc32)cc1 33293097 JDSNVDQSFSPZBC-UHFFFAOYSA-N 416.416 3.382 0 40 HGAB CCn1ccc(-c2cc(C(=O)O)n3nc(C(F)(F)F)c(Br)c3n2)n1 36615761 IAFLYEAWIRPNAQ-UHFFFAOYSA-N 404.146 3.092 0 40 HGAB CC(=O)c1ccc(S(=O)(=O)N2C[C@@H]3[C@@H](CCC[C@]3(O)c3ccc(F)cc3)C2)cc1 36740018 UZYZCQFWDQHAPT-WTOYTKOKSA-N 417.502 3.337 0 40 HGAB CSc1ccccc1NC(=O)CN(C)C(=O)C[C@H](NC(C)=O)c1cccs1 40033454 CXPXXDGDWSVCQM-HNNXBMFYSA-N 405.545 3.134 0 40 HGAB C[C@@H](NC(=O)CN(C1CC1)S(=O)(=O)c1cccnc1)c1ccc2ccccc2c1 40072670 LQRKLDVCJJAQKW-MRXNPFEDSA-N 409.511 3.265 0 40 HGAB CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)N2CCN(c3ccccc3)CC2)cc1 40103868 LAQPFYAVZDBEAT-UHFFFAOYSA-N 416.547 3.070 0 40 HGAB Cc1cc(Br)oc1C(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 40140167 QNAVHEHPQDVDCU-UHFFFAOYSA-N 413.293 3.387 0 40 HGAB O=C(NCc1ccc(N2CCCC[C@H]2CCO)nc1)c1ccccc1OC(F)F 40150256 GAZXYRVDPXHDFN-INIZCTEOSA-N 405.445 3.354 0 40 HGAB O=S(=O)(N[C@H]1CCN(Cc2ccccc2)C1)c1ccc(Cl)c2ncccc12 40152939 LWDOPPKXPNGNCD-INIZCTEOSA-N 401.919 3.441 0 40 HGAB Cc1cccc(NC(=O)C2CCN(Cn3nc(OC(C)C)sc3=S)CC2)n1 40158208 RHYDFNZDIQUZEM-UHFFFAOYSA-N 407.565 3.473 0 40 HGAB O=C(Cn1c(=O)oc2ccccc21)N1CCC[C@H](c2nnc(-c3cccs3)o2)C1 44204301 VYPGQOFROPMKTB-ZDUSSCGKSA-N 410.455 3.112 0 40 HGAB O=C(Nc1nccs1)C1CCN(C(=O)CSc2nc3ccccc3o2)CC1 44226456 ZYULDXRTSPKXQT-UHFFFAOYSA-N 402.501 3.254 0 40 HGAB O=S(=O)(NC1(c2ccc(Br)cc2)CC1)c1ccc2c(c1)OCCO2 48277625 NAMZNQHLSPOIAY-UHFFFAOYSA-N 410.289 3.188 0 40 HGAB COc1ccccc1N1CCN(C(=O)c2nnn(-c3ccc(C)c(C)c3)c2C)CC1 51317536 SZJNPRFNDCBYAJ-UHFFFAOYSA-N 405.502 3.164 0 40 HGAB C[C@H]1C[C@@H]1C(=O)NCCC(=O)NCC1(c2ccc(Cl)cc2Cl)CCOCC1 55762394 WNXCMYZJRCGOGE-ZFWWWQNUSA-N 413.345 3.320 0 40 HGAB O=C(NCCC(=O)N1CCc2[nH]c3ccc(Cl)cc3c2C1)OCC(F)(F)F 57225229 DQTBFEQKTVYKFS-UHFFFAOYSA-N 403.788 3.385 0 40 HGAB Cc1cccc(-n2c(=O)c3sccc3n(CC(=O)Nc3ccccc3C)c2=O)c1 57490052 HFEKOBXSJXRZSZ-UHFFFAOYSA-N 405.479 3.469 0 40 HGAB O=C(c1n[nH]nc1Nc1ccc(Cl)cc1)N1CCN(c2ccccc2F)CC1 67284334 APIPUNLCDYPFOZ-UHFFFAOYSA-N 400.845 3.303 0 40 HGAB Cc1ccc(CNC(=O)Cn2cc(-c3nc(-c4cccc(C)c4)no3)ccc2=O)cc1 67289458 QASIQADOCPBSGZ-UHFFFAOYSA-N 414.465 3.499 0 40 HGAB Cc1c(C(=O)N2CCCCC2)nnn1-c1cccc2c1CCN(Cc1cccnc1)C2 69976533 DLZSGGOALPWCPO-UHFFFAOYSA-N 416.529 3.155 0 40 HGAB Cc1nc(=O)c2ccccc2n1C1=CCN(C(=O)c2cc(=O)c3ccccc3o2)CC1 72338382 RSWXCFPBJRXWJK-UHFFFAOYSA-N 413.433 3.198 0 40 HGAB Cc1cc(-c2cnc(N)nc2)cc([C@@H]2CCCN(C(=O)Cc3csc(C)n3)C2)n1 72353685 MVANVCUQCULNGN-OAHLLOKOSA-N 408.531 3.143 0 40 HGAB COc1cccc(-c2cncc([C@@H]3CCCN(CC(=O)Nc4nccs4)C3)n2)c1 72359417 RITPDLLERZFTLR-MRXNPFEDSA-N 409.515 3.427 0 40 HGAB CCn1cc(S(=O)(=O)N(C)c2nc3c(s2)C[C@H](c2ccccc2)CC3)cn1 89309874 OCEPTDJHPRPSED-OAHLLOKOSA-N 402.545 3.457 0 40 HGAB COc1cc2c(cc1OC)CN(S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)CC2 95431113 DMSGITGFGOCZEY-UHFFFAOYSA-N 423.359 3.146 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1cccc(CC(=O)O)c1 95971415 VDRMZBHTTFTRBI-UHFFFAOYSA-N 416.499 3.049 0 40 HGAB Cc1cccc(C(=O)N2CCC3(CC2)C[C@H](CC(=O)N(C)C)c2ccccc2O3)n1 96053183 DBQHNHCGEALJGQ-SFHVURJKSA-N 407.514 3.409 0 40 HGAB Cc1cc(O)n2nc([C@@H]3CCCN(C(=O)C[C@@H](C)n4nc(C)c(C)c4C)C3)cc2n1 100138028 GCGYYTAIIGUVPI-RDTXWAMCSA-N 410.522 3.222 0 40 HGAB O=C(Cn1nc(-c2ccc(Br)cc2)ccc1=O)NC[C@H]1C[C@H]2C=C[C@H]1C2 101675063 MICFIKJFOXBJPF-CWRNSKLLSA-N 414.303 3.001 0 40 HGAB C[C@H](NC(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@@H]1C[C@H]2CC[C@H]1C2 104811659 DLKWLPDCMYKTLD-WBKMXMRLSA-N 404.576 3.345 0 40 HGAB CC(C)C[C@@H](NC(=O)COc1ccc(CN(C)S(C)(=O)=O)cc1)c1ccccc1 216345672 GDQALGIAXMYDCV-OAQYLSRUSA-N 418.559 3.360 0 40 HGAB CC[C@@H](C(=O)NCCN(C)c1ccccc1)N(c1cc(C)ccc1C)S(C)(=O)=O 220551044 DUAXFCQCUAKJDB-FQEVSTJZSA-N 417.575 3.101 0 40 HGAB COc1ccc(C(=O)N(C)c2ccccc2)cc1S(=O)(=O)NCCc1ccccc1 222930383 CSTCNFXEEZZGQC-UHFFFAOYSA-N 424.522 3.493 0 40 HGAB CSc1ccc(Cl)cc1S(=O)(=O)Nc1nc(C)c(C(=O)N(C)C)s1 223441445 QKEIWSWANTXBOJ-UHFFFAOYSA-N 405.954 3.329 0 40 HGAB Cc1ccc([C@@H](C)NS(=O)(=O)c2nnc(NC(=O)c3cccc(C)c3)s2)cc1 224454753 OURYIVQNTUDTGR-CQSZACIVSA-N 416.528 3.447 0 40 HGAB CC(C)[C@@H](C)NC(=O)C1CCN(S(=O)(=O)Cc2c(F)cccc2Cl)CC1 225214416 UQCUEGUBZKGGDX-CYBMUJFWSA-N 404.935 3.182 0 40 HGAB CCS(=O)(=O)N(C)c1ccc(C(=O)Nc2nnc(-c3ccccc3)s2)cc1 225698687 DFZVCJIYHRQQKP-UHFFFAOYSA-N 402.501 3.243 0 40 HGAB Cc1nc2ccccc2n1CCC(=O)NCc1nnc2ccc(-c3cccs3)nn12 225763851 LAMNNLJSIAFXMK-UHFFFAOYSA-N 417.498 3.217 0 40 HGAB O=C1[C@H]2[C@@H]3C=C[C@@H]([C@@H]2C(=O)N1CN(C(=O)C(F)(F)F)c1cccc(Cl)c1)[C@@H]1C[C@H]31 226400867 PKABERWKDXAODB-ODICJLLRSA-N 424.806 3.246 0 40 HGAB O=C(NC[C@@](O)(c1ccoc1)c1cccs1)C(=O)Nc1cccc(C(F)(F)F)c1 244955818 GBCWXWDWKVQIJW-GOSISDBHSA-N 424.400 3.351 0 40 HGAB CC(=O)c1ccc(S(=O)(=O)N2C[C@@H]3CCC[C@](O)(c4cccc(F)c4)[C@H]3C2)cc1 253385319 SFNBNXWELRUCGK-HSQYWUDLSA-N 417.502 3.337 0 40 HGAB O=C(CN1CCOCC1)N1CCCC[C@@H]1c1ncc(Cc2ccccc2Cl)o1 257214922 CNYXOBKSLGWIHO-LJQANCHMSA-N 403.910 3.305 0 40 HGAB Cc1nc([C@@H]2CCN(Cc3ccccn3)C2)nc(C)c1CC(=O)NC1CCCCC1 257263797 LRMYECAEZIWRDW-LJQANCHMSA-N 407.562 3.469 0 40 HGAB COc1c(F)c(F)cc(C(=O)N2CC[C@H](c3cccs3)S(=O)(=O)CC2)c1F 390830962 OPZTWHRAMWNDRT-CYBMUJFWSA-N 419.446 3.176 0 40 HGAB Cc1ccc(C)c(N(CC(=O)NCCSCc2ccccc2C)S(C)(=O)=O)c1 409027013 PVQYRPQPZZOUPR-UHFFFAOYSA-N 420.600 3.427 0 40 HGAB O=C(CN1C(=O)S/C(=C/c2ccc[nH]2)C1=O)Nc1ccc(Br)cc1 409184479 XKUCQIZWXMJHKK-MDWZMJQESA-N 406.261 3.452 0 40 HGAB Cc1nc(-c2ncccn2)nc(O)c1CC(=O)N[C@H](C)c1ccc2c(c1)CCCC2 546904422 ZGYOJTRDBUPGGS-CQSZACIVSA-N 403.486 3.246 0 40 HGAB O=S(=O)(NCC[C@H](CCO)c1cccs1)c1ccc(Br)s1 575605501 ASCGQQNCAHEHDB-SNVBAGLBSA-N 410.380 3.407 0 40 HGAB O=C(c1ccnc(O)c1)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 643573266 AGNFGEQONHNDPU-UHFFFAOYSA-N 424.497 3.358 0 40 HGAB CC(C)N1C(=O)c2ccccc2[C@H](C(=O)N(C)C)C12CCN(Cc1cccnc1)CC2 1549166811 IUUKIIPGKWNYSA-JOCHJYFZSA-N 420.557 3.152 0 40 HGAB Cc1ncnc(C(=O)N2CCC3(CC2)C[C@H](C(=O)N2CCCC2)c2ccccc23)c1C 1614939952 AYPFYTPCCJWHRL-FQEVSTJZSA-N 418.541 3.377 0 40 HGAB O=C(N1CC(n2nc(-c3ccccc3)ccc2=O)C1)C1(c2ccccc2)CCOCC1 1775972902 BPYQAYKKVTWDDL-UHFFFAOYSA-N 415.493 3.042 0 40 HGAB CCCCC(=O)N1CCC(COc2ccccc2)(CC(=O)N2CCOCC2)CC1 2037905420 CAEQVEBOQPXEEW-UHFFFAOYSA-N 402.535 3.113 0 40 HGAB CO[C@H](C)C(=O)Oc1ccc(-c2ccc(F)cc2F)cc1C(=O)O[C@H](C)C(=O)O 2060993542 JXBUFIOIVJRDJD-GHMZBOCLSA-N 408.353 3.202 0 40 HGAB Cc1oc2cc(OCC(=O)NCC(=O)O)ccc2c(=O)c1-c1ccc(Cl)cc1 11866042 OXQAJMMPNDZPOH-UHFFFAOYSA-N 401.802 3.001 0 40 HGAB O=C1N[C@@]2(CCOc3ccccc32)C(=O)N1Cc1nc(-c2ccccc2Cl)no1 8185376 PUOSYESEZNBKAV-HXUWFJFHSA-N 410.817 3.120 0 40 HGAB COc1cccc(C(=O)CSc2nnc(N3CCOCC3)n2-c2ccccc2C)c1 17840141 SGDMSKWRMMQZCR-UHFFFAOYSA-N 424.526 3.396 0 40 HGAB CCOC(=O)N1CCC(NC(=O)CSc2nccn2-c2cc(C)ccc2C)CC1 32522836 KBZBWYKSNQZPQT-UHFFFAOYSA-N 416.547 3.318 0 40 HGAB Cc1c(NC(=O)COC(=O)c2ccc3ccccc3c2)c(=O)n(-c2ccccc2)n1C 2654256 AWALYAPYDFCTJV-UHFFFAOYSA-N 415.449 3.433 0 40 HGAB O=C(Nc1nnc(C2CC2)s1)c1cccc(NS(=O)(=O)c2ccccc2)c1 21293162 AUACEUYOBFUDJM-UHFFFAOYSA-N 400.485 3.469 0 40 HGAB Cc1cc(=O)c(C(=O)Nc2cccc(-c3nnco3)c2)nn1-c1ccccc1Cl 32777362 PNECNGCBAVWWDU-UHFFFAOYSA-N 407.817 3.497 0 40 HGAB CCOC(=O)c1c(CN2CCN(Cc3cc(C)no3)CC2)nc2ccccc2c1C 32845004 JVSWVOLWLLTNNK-UHFFFAOYSA-N 408.502 3.334 0 40 HGAB COc1cc(C(=O)Nc2nnc(-c3ccc4c(c3)OCO4)s2)cc(OC)c1OC 4160876 VWPOGIXVYHAMCE-UHFFFAOYSA-N 415.427 3.212 0 40 HGAB O=c1c(-c2cccs2)ccc2n1C[C@H]1C[C@@H]2CN(S(=O)(=O)c2ccccc2)C1 4237161 NETWXPOXAAMCBP-JKSUJKDBSA-N 412.536 3.385 0 40 HGAB biogenic,in-vitro O=C(COC(=O)c1ccccc1SCC(=O)N1CCCC1)NCC1CCCCC1 4360030 CMCXIOOOWWALPZ-UHFFFAOYSA-N 418.559 3.254 0 40 HGAB Cc1ccc2oc(C(=O)NCc3nnc4ccc(C(F)(F)F)cn34)cc(=O)c2c1 32843010 KWRSAKWQEMHMLP-UHFFFAOYSA-N 402.332 3.093 0 40 HGAB CCCCN(C)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 7054505 QJPBCYPAQCNOCT-UHFFFAOYSA-N 400.497 3.047 0 40 HGAB O=C(c1ccccc1)c1nc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cs1 32911915 KGTMGGLUAALFJI-UHFFFAOYSA-N 414.508 3.062 0 40 HGAB CCn1c(S[C@@H](C)C(=O)NCC(=O)Nc2c(C)cccc2C)nnc1C1CC1 7618545 XNMPAZMETDBTGQ-AWEZNQCLSA-N 401.536 3.028 0 40 HGAB CS(=O)(=O)Nc1cccc(C(=O)Nc2ccccc2C(=O)NC2CCCCC2)c1 10314628 HQMHEWVGYTWESI-UHFFFAOYSA-N 415.515 3.373 0 40 HGAB Cc1ccc(CC(=O)N2CC[C@]3(CC[C@@H](C(=O)Nc4cccnc4)O3)[C@@H](C)C2)cc1 107271826 PTIHIDJQLUQKFD-NSXLHWASSA-N 407.514 3.357 0 40 HGAB Nn1c(Cc2ccccc2F)nnc1S[C@H](C(=O)N1CCCC1)c1ccccc1 9455499 OZXMUUIMSCLJTC-IBGZPJMESA-N 411.506 3.178 0 40 HGAB O=C(O)c1ccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)OCC(F)(F)C(F)F)cc1 969108 WXCHDETYVQEOEU-QWHCGFSZSA-N 403.328 3.349 0 40 HGAB COc1ccccc1[C@@H]1[C@H]2C(=O)N(c3ccc(Cl)c(F)c3)C(=O)[C@H]2N2CCCN12 100938918 HJYACQZTNOVVEN-QRVBRYPASA-N 415.852 3.023 0 40 HGAB O=C(CN1c2cccc3cccc(c23)S1(=O)=O)Nc1cccc(-c2ccn[nH]2)c1 24887647 OUKZMVPSVHUJJH-UHFFFAOYSA-N 404.451 3.377 0 40 HGAB CCC[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccn(C)c2)CC1)c1ccccc1 24835413 BTKOSHDUIOMZRE-HXUWFJFHSA-N 403.548 3.083 0 40 HGAB O=C(Cn1c2ccc(F)cc2c2nc3n(c(=O)c21)CCS3)Nc1ccccc1F 1428298 PJNVHBRQMJWCHD-UHFFFAOYSA-N 412.421 3.374 0 40 HGAB O=C(OCc1nnsc1Cl)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O 25723702 MZARLIOBBQCLQJ-UHFFFAOYSA-N 405.863 3.477 0 40 HGAB C[C@H]1CCCC[C@@H]1OCCNC(=O)NCc1cn2cc(Br)ccc2n1 57343444 WWFZWNBNYAGYJA-BBRMVZONSA-N 409.328 3.491 0 40 HGAB CCOc1ccc(NS(=O)(=O)c2ccc(C(=O)NCc3cccnc3)cc2)cc1 12521466 FZPUVAVZRAUQRF-UHFFFAOYSA-N 411.483 3.211 0 40 HGAB CC(C)c1cccc(N2C[C@H](C(=O)Nc3ccc(N4CCNC4=O)cc3)CC2=O)c1 44305796 IVVJIMKLICUUMZ-QGZVFWFLSA-N 406.486 3.331 0 40 HGAB CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)OCC(=O)N1c2ccccc2C[C@H]1C 3240187 OWQUXOXDZGERBL-VFNWGFHPSA-N 412.461 3.101 0 40 HGAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N2CCN(c3ccccc3F)CC2)c1C 36384972 RKTAFYQUJSROKT-MRXNPFEDSA-N 401.482 3.341 0 40 HGAB O=C(COC(=O)c1cc(F)c(F)cc1Cl)Nc1ccc(N2CCOCC2)cc1 3301378 BVDBCLCLUCDASY-UHFFFAOYSA-N 410.804 3.250 0 40 HGAB Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)OCC(=O)N4CCCCC4)cc3C2=O)c1 3317811 NRXDZJLERSCCBT-UHFFFAOYSA-N 420.465 3.273 0 40 HGAB Cc1ccccc1C(=O)N1CCC(C(=O)Nc2cccc(N3CCOC3=O)c2)CC1 48272234 WNWTUQBWVSWSPE-UHFFFAOYSA-N 407.470 3.443 0 40 HGAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2nc3ccccc3[nH]2)Cc2ccco2)cc1 12755096 DVVRLWKXTNEOQA-UHFFFAOYSA-N 424.482 3.294 0 40 HGAB O=C(c1cc(Br)c(Br)s1)N1N=CC[C@@]1(O)C(F)(F)F 36611200 ZMRIBOKTDPKZSN-MRVPVSSYSA-N 422.020 3.356 0 40 HGAB C[C@H]1C[C@H](C)CN(Cc2ccccc2CNC(=O)c2ccc(S(C)(=O)=O)cc2)C1 48341329 WDPRJRVCWYHJSM-ROUUACIJSA-N 414.571 3.498 0 40 HGAB CCOc1c(Cl)cc(/C=C/C(=O)Oc2ccc(-n3cnnn3)cc2)cc1OC 3420522 OCEDSVIHZMPXFA-RUDMXATFSA-N 400.822 3.342 0 40 HGAB CCCN(Cn1nc(-c2ccc(Cl)cc2)n(C)c1=S)[C@H]1CCS(=O)(=O)C1 12924375 JDAYWLPLHJKCHF-HNNXBMFYSA-N 414.984 3.128 0 40 HGAB COc1cc(N2C[C@@H](C(=O)NCCC3=CCCCC3)CC2=O)cc(OC)c1OC 12986228 NMRKEUPLBOPIMQ-INIZCTEOSA-N 402.491 3.072 0 40 HGAB CC(C)c1cccc(N2C[C@H](C(=O)N(C)Cc3nc4ccccc4c(=O)[nH]3)CC2=O)c1 12947896 JZTZXRYRRHQCEO-QGZVFWFLSA-N 418.497 3.058 0 40 HGAB CC(=O)c1sc(NC(=O)CCN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)nc1-c1ccccc1 13121439 HVZSHKSPMKNOET-HZPDHXFCSA-N 423.494 3.293 0 40 HGAB COc1ccccc1CNC(=O)[C@H]1CC(=O)N(CCc2c[nH]c3ccc(F)cc23)C1 13944826 OMGDGHAVSXWOOS-KRWDZBQOSA-N 409.461 3.023 0 40 HGAB Cc1ccc(NS(=O)(=O)c2ccc(C(=O)NC[C@H](C(C)C)N(C)C)cc2)cc1C 22754922 GRVXWOYYZKLAEV-OAQYLSRUSA-N 417.575 3.420 0 40 HGAB O=C(COc1ccc(C(=O)c2ccccc2)cc1)NC[C@@H]1COc2ccccc2O1 5215546 LJMGZSGUYRNVLO-HXUWFJFHSA-N 403.434 3.253 0 40 HGAB Cc1c(C(=O)O[C@H](C)C(=O)Nc2ccccc2F)sc2nc3n(c(=O)c12)CCC3 5246749 PGZSCJQCVHNKDB-LLVKDONJSA-N 415.446 3.036 0 40 HGAB O=C(NCc1ccc2c(c1)OCO2)[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 408707288 IWDVOLGSEGJWIX-LBPRGKRZSA-N 407.253 3.391 0 40 HGAB COc1ccc([C@H]2c3ccc(O)cc3Oc3ncn(CCCN(C)C)c(=N)c32)cc1 5348763 HYIFZCLUNNDGSY-FQEVSTJZSA-N 406.486 3.314 0 40 HGAB CCOC(=O)CNC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccccc1 5478407 CRFHXPBUISSNRA-UHFFFAOYSA-N 410.499 3.014 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)OCC(=O)C(C)(C)C)c1 6534609 YKOONAIICLTZOA-UHFFFAOYSA-N 424.563 3.089 0 40 HGAB Cc1cc(OCC(=O)NC[C@@H](O)c2ccccc2)c2c3c(c(=O)oc2c1)CCCC3 6658649 RJNADXKWFNEOOB-LJQANCHMSA-N 407.466 3.209 0 40 HGAB Cc1ccc(F)cc1NC(=O)CSc1nnc(-c2ccc3c(c2)OCO3)n1C 4736397 JNMLAPIHADBTPF-UHFFFAOYSA-N 400.435 3.389 0 40 HGAB COc1ccccc1OCc1nnc(SCC(=O)Nc2ccc(F)cc2)n1C 409347559 MPYNFJFLDSBMHI-UHFFFAOYSA-N 402.451 3.273 0 40 HGAB COc1ccccc1C(=O)NN1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 18323153 VZRKDBHUROBSAH-MYNGYRLFSA-N 424.456 3.232 0 40 HGAB O=C(Nc1cccc(Cl)c1)[C@H]1[C@H]2C=C[C@]3(CN(CCc4ccccc4)C(=O)[C@H]13)O2 15905370 NXSSGYPVVHRRQW-QTDGGUCWSA-N 408.885 3.303 0 40 HGAB CCc1ccc(N2C[C@H](C(=O)Nc3ccc(S(=O)(=O)C(F)F)cc3)CC2=O)cc1 15998665 XGZZENUFGJRPCK-CQSZACIVSA-N 422.453 3.237 0 40 HGAB CCOc1ccc(OCCOC(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 7777591 KCJRGJGMVRZFDD-UHFFFAOYSA-N 401.503 3.340 0 40 HGAB CC(C)[C@@H](NC(=O)Cc1n[nH]c(=O)c2ccccc12)c1ccc2c(c1)OCCCO2 7738439 CWTCNSHPCMYIJI-JOCHJYFZSA-N 407.470 3.140 0 40 HGAB COc1ccc(NC(=O)[C@@H]2Sc3nnc(C)n3N[C@@H]2c2ccc(OC)cc2)cc1 9236770 ZUMKIAKVGLWTOR-QZTJIDSGSA-N 411.487 3.002 0 40 HGAB CCCN(CCC)C(=O)[C@H]1Sc2nnc(C)n2N[C@@H]1c1ccc(OCC)cc1 9239015 LERNXZKFPGBHOC-MSOLQXFVSA-N 403.552 3.393 0 40 HGAB C[C@@H](Sc1nnc(-c2ccccc2)c(-c2ccccc2)n1)C(=O)N1CCNC1=O 9868777 KPQYHHHCWYINDI-CQSZACIVSA-N 405.483 3.238 0 40 HGAB O=C(Nc1ccc2c(c1)OCCO2)NC1(c2nc(-c3cnccn3)no2)CCCCC1 77197522 LDUOGIPUXAUIGB-UHFFFAOYSA-N 422.445 3.279 0 40 HGAB Cc1cc(N2CCN([C@@H](C)C(=O)N3CCCc4ccccc43)CC2)nc(C(C)C)n1 84111526 XSOZVQPLFVWZBT-IBGZPJMESA-N 407.562 3.398 0 40 HGAB O=C(Nc1ccccc1Br)[C@@H]1CCCN1S(=O)(=O)c1ccccc1 9614272 XZZMHIBTNVHFJD-INIZCTEOSA-N 409.305 3.241 0 40 HGAB COCCN1CC[C@]2(CN(Cc3sccc3C)C[C@@H]2c2cn(C(C)C)cn2)C1=O 306136875 QFJZHKJMBUTWRL-XMSQKQJNSA-N 416.591 3.298 0 40 HGAB O=C(c1ccccc1)N1CCN(C(=O)C2(c3cccc(Br)c3)CC2)CC1 95349144 MSNRBTMIBYKVAF-UHFFFAOYSA-N 413.315 3.465 0 40 HGAB CCN(CC)CCNC(=O)c1ccc(NC(=O)Cc2noc3ccccc23)cc1OC 95430423 YKYKVLUQAXRWQU-UHFFFAOYSA-N 424.501 3.089 0 40 HGAB COC(=O)c1ccc(S(=O)(=O)N[C@H](C)c2cnn(-c3ccc(F)cc3)c2C)cc1 32808832 RCHVBAOJCILFAD-CYBMUJFWSA-N 417.462 3.146 0 40 HGAB COCC(=O)NC[C@@H]1C=C(C)[C@H](CC(=O)NCc2ccc(F)cc2)C[C@H]1C(C)C 30880446 BWLGNSVQECVVTQ-ZJOUEHCJSA-N 404.526 3.449 0 40 HGAB biogenic,in-vitro Clc1cc(CN2CCN(Cc3ccc4c(c3)OCCO4)CC2)cc2c1OCCO2 32489510 AQNPYSDTQHXAHF-UHFFFAOYSA-N 416.905 3.200 0 40 HGAB CCOc1ccc([C@@H](c2sc3nc(C)nn3c2O)N2C[C@@H](C)O[C@H](C)C2)cc1 36066094 LVCBFHAITIZIKM-XNJGSVPQSA-N 402.520 3.402 0 40 HGAB CCN(CC)C(=O)N1CCN(C(=O)NCc2ccc(-c3csc(C)n3)s2)CC1 531077047 DNDREQYSECWRFT-UHFFFAOYSA-N 421.592 3.469 0 40 HGAB Cc1nc([C@H]2CCCN2C(=O)C(C)(C)O)nc2c1CCCN2CCc1ccccc1 72373839 NSAUCEDATRVNDM-HXUWFJFHSA-N 408.546 3.215 0 40 HGAB Cc1nc(N2CCCC2)ncc1-c1cc(=O)[nH]c(Nc2nc(C)c3ccccc3n2)n1 39404005 USOIPHWFLFSFSW-UHFFFAOYSA-N 414.473 3.131 0 40 HGAB CCCN1CCN(C(=O)c2cnccn2)[C@@H](Cc2ccc(-c3ccccc3)cc2)C1=O 72351404 SIBJEJGJQVGSMB-QHCPKHFHSA-N 414.509 3.449 0 40 HGAB CCOc1cccc(CNC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)c1 219756184 WVVKRZZSPNZKMV-LJQANCHMSA-N 422.934 3.208 0 40 HGAB O[C@@H](CN1CC=C(c2nc3c(c(N4CCOCC4)n2)CCCC3)CC1)c1ccccc1 72339507 WJAVWVKEQMNFDM-QHCPKHFHSA-N 420.557 3.015 0 40 HGAB Cc1nnc(SCC(=O)N2CCN(CCC(C)(C)C)CC2)n1Cc1ccccc1 60407017 VODAULLZFIPSLX-UHFFFAOYSA-N 415.607 3.307 0 40 HGAB CC(C)C(=O)N(Cc1ccc(Cl)cc1)[C@@H](Cc1ccccc1)C(=O)NCCO 223130895 LMBBKSVUHUYFLS-FQEVSTJZSA-N 402.922 3.044 0 40 HGAB CC[C@H](C(=O)NCCCc1ccc(C)cc1)N(c1cccc(OC)c1)S(C)(=O)=O 220627540 PBBWJYNQNPLFFE-OAQYLSRUSA-N 418.559 3.297 0 40 HGAB COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1Cc1ccco1 223718218 PAHNFAFMWQCXHW-SFTDATJTSA-N 424.526 3.450 0 40 HGAB CSc1cccc(N(CC(=O)NCCSc2ccc(C)cc2)S(C)(=O)=O)c1 220062216 WIVMPGBICHGZNF-UHFFFAOYSA-N 424.613 3.391 0 40 HGAB Cc1csc(=O)n1CCC(=O)NCc1ccc(CN2C[C@H](C)C[C@@H](C)C2)cc1 48310835 DUSBFTNATILSSL-IAGOWNOFSA-N 401.576 3.403 0 40 HGAB Cc1occc1C(=O)Nc1nc(CC(=O)Nc2ccc(N3CCCC3)nc2)cs1 40145294 RCERZCILJWAIKS-UHFFFAOYSA-N 411.487 3.473 0 40 HGAB CCOC(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c(C)c1 225567869 JRNKBXWMOOPUJO-UHFFFAOYSA-N 416.499 3.209 0 40 HGAB Cc1c(NS(C)(=O)=O)cccc1C(=O)NCCOc1ccc(C(C)(C)C)cc1 224077456 DCJMWGBFFNKXCD-UHFFFAOYSA-N 404.532 3.473 0 40 HGAB COC(=O)C[C@@H](c1oc(CSc2ccc(F)cc2)cc(=O)c1O)c1ccnn1C 95479240 PMYDBSKIRNLIDM-OAHLLOKOSA-N 418.446 3.205 0 40 HGAB O=C(NCCc1cccnc1)c1cc(-c2cnc(N3CCCC3)nc2)cn1CC1CC1 96266419 LORFBRJUDBNPHP-UHFFFAOYSA-N 416.529 3.323 0 40 HGAB CN(C)S(=O)(=O)c1cc(C(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)co1 535148725 VMIZTTOGWIUNHL-CYBMUJFWSA-N 419.528 3.159 0 40 HGAB COc1ccc2c(c1)O[C@@]1(C[C@H]3CC[C@H]1C[C@H]3C(=O)NCc1cccc(F)c1)NC2=O 247975690 WBJQPRCVNUJKNR-UKIBHBBISA-N 424.472 3.405 0 40 HGAB CCC(CC)C(=O)NC[C@]1(c2ccccc2)CC[C@H](O)[C@@H](N2CCOCC2)CC1 257232927 GMZMKIQNPJSAQB-WPFOTENUSA-N 402.579 3.113 0 40 HGAB CCCN1CCN(C(=O)c2c[nH]cn2)C[C@H](Cc2ccccc2-c2ccncc2)C1=O 257202579 AMLSSRCMUPKCAM-FQEVSTJZSA-N 417.513 3.025 0 40 HGAB COc1ccccc1[C@H](C)NC(=O)[C@H](C)N(c1cc(C)cc(C)c1)S(C)(=O)=O 260798345 SEOPKDSAANCWBU-IRXDYDNUSA-N 404.532 3.344 0 40 HGAB C[C@H]1CCC[C@@H](OCC(=O)NCC(C)(C)CNC(=O)CO[C@H]2CCC[C@@H](C)C2)C1 602770710 MUHUEYYILWOTCD-JVSBHGNQSA-N 410.599 3.436 0 40 HGAB CC(=O)Nc1c[nH]nc1[C@@H]1CCCN(C(=O)Nc2ccn(Cc3ccccc3)n2)C1 1116505150 PMYZFFHMSFDGOO-QGZVFWFLSA-N 407.478 3.024 0 40 HGAB O=C1NCCc2ccc(NC(=O)N3CCOC[C@H]3c3nc4ccccc4s3)cc21 669718908 PAYBIGZPQHIHQU-KRWDZBQOSA-N 408.483 3.188 0 40 HGAB COc1cc(NC(=O)Nc2cnc(N3CCCCC3)nc2N(C)C)cc(OC)c1 96121410 KFBUKFUCMNQZEL-UHFFFAOYSA-N 400.483 3.194 0 40 HGAB O=C(NC[C@@H]1OCCc2cn(Cc3ccccc3)nc21)c1ccnc(C(F)(F)F)c1 585112265 NYLODCUHSJQXJT-KRWDZBQOSA-N 416.403 3.389 0 40 HGAB COCCN1c2cccnc2-n2cccc2[C@]12CCN(C(=O)c1cccc(C)c1O)C2 585106572 BKVHBLQYAKDWSP-XMMPIXPASA-N 418.497 3.094 0 40 HGAB Cn1ccnc1[C@H](O)c1cccc(F)c1N1CCN(Cc2cc(F)cc(F)c2)CC1 72340597 RDRBRMSDFBJNNX-OAQYLSRUSA-N 416.447 3.241 0 40 HGAB COCc1cc(C)nc(NN=Cc2cc3c(cc2Br)OCO3)c1C#N 16267769 XAWOWEQBMMAWJG-UHFFFAOYSA-N 403.236 3.345 0 40 HGAB CCOC(=O)N1CCN(c2ncc(-c3cc(C)no3)c(-c3ccc(C)nc3)n2)CC1 12088767 FQVNUYSKWRGJEV-UHFFFAOYSA-N 408.462 3.089 0 40 HGAB CC(=O)N1c2ccc([C@@H](O)CN3CCC(O)(c4ccc(F)cc4)CC3)cc2C[C@@H]1C 12146832 VLOYFEDSIKUYRS-HJPURHCSSA-N 412.505 3.140 0 40 HGAB COc1cc2cc(CNc3ccc(N4CCC[C@@H](O)C4)cc3)c(=O)[nH]c2cc1OC 13563065 RJILLQHVRKAGBD-LJQANCHMSA-N 409.486 3.119 0 40 HGAB CC(C)(C)NC(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1 13677783 QWOVIBKZRIHWKQ-UHFFFAOYSA-N 407.363 3.450 0 40 HGAB Cc1ccc(NC(=O)COc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1C 16312454 ILGGVSSJNHIBJL-UHFFFAOYSA-N 402.516 3.496 0 40 HGAB CC(C)(C)C(=O)N1CCC[C@@H]1c1nc(O)c2c(n1)CN(C(=O)c1cccs1)CC2 19081342 VQTRAHMZIPFWCZ-OAHLLOKOSA-N 414.531 3.152 0 40 HGAB O=C(NC[C@@H]1CCCOC1)[C@@H]1CN(Cc2ccccc2)C[C@H]1C(=O)c1ccc(F)cc1 19372547 RPXAZOUXKVXVAR-WWPVKYPJSA-N 424.516 3.299 0 40 HGAB Cc1ccc(-c2cnc(NC(=O)CN3C(=O)NC4(CCC(C)CC4)C3=O)n2C)cc1C 19665228 UOHYNGFCHFXIQE-UHFFFAOYSA-N 423.517 3.143 0 40 HGAB Cn1c(C(F)(F)F)nc2cc(NC(=O)Cn3cnc4sccc4c3=O)ccc21 19715404 NGZXTVCDOBGFPJ-UHFFFAOYSA-N 407.377 3.002 0 40 HGAB Cc1nc([C@@H]2CCCN(C(=O)c3cccnc3)C2)ncc1C(=O)NCc1ccccc1 19766388 SODDBVXQCMZGFN-HXUWFJFHSA-N 415.497 3.130 0 40 HGAB CCOc1cc(CCC(=O)N2CCC[C@@H](c3nc4ccccc4cc3C(N)=O)C2)on1 12256023 GPGGZIOHHAZEFO-MRXNPFEDSA-N 422.485 3.059 0 40 HGAB Cc1noc2nc(C3CCN(C(=O)[C@@H](C)Cn4cncn4)CC3)cc(C(F)(F)F)c12 19564437 LWSHOMGFKVCRDT-NSHDSACASA-N 422.411 3.184 0 40 HGAB CC(C)[C@@H](NC(=O)c1ccccc1F)C(=O)NC[C@H](c1ccco1)N1CCCC1 27333872 ODMFZMHKDBTGQL-UYAOXDASSA-N 401.482 3.126 0 40 HGAB CN1[C@H]2CC[C@H]1[C@@H](C(=O)N1CCCC1)[C@@H](c1ccc(I)cc1)C2 256056331 HPQILAIJSLHQQC-MHORFTMASA-N 424.326 3.480 0 40 HGAB COCCCN1CC[C@@H]2CN(S(=O)(=O)c3cc(C)c(Cl)cc3C)C[C@@H]2CC1 2056224553 VAGQGVZMVPXEHO-HDICACEKSA-N 414.999 3.326 0 40 HGAB CCOC(=O)[C@@H]1CCCN(C(=O)Cc2csc(NC(=O)Nc3ccccc3)n2)C1 9784576 VDVAFCDVHRVZQM-CQSZACIVSA-N 416.503 3.131 0 40 HGAB COc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3cc(OC)cc(OC)c3)n2)cc1 11693312 RWOZBLINNDAVRY-UHFFFAOYSA-N 423.469 3.355 0 40 HGAB COc1c(C)cc(Br)cc1C(=O)Nc1ccc(N2CCOCC2)c(N)c1 20154108 BHXSIENFKOGZSY-UHFFFAOYSA-N 420.307 3.437 0 40 HGAB CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1cccc(NC(=O)C2CC2)c1 40059977 QXHKOPQMGFBAJR-OAQYLSRUSA-N 404.470 3.202 0 40 HGAB CCc1nn2c(=O)cc(CNc3cccc(S(=O)(=O)C4CCCC4)c3)nc2s1 40083281 HROZDVZSTLBDEH-UHFFFAOYSA-N 418.544 3.042 0 40 HGAB CNC(=O)[C@H]1CN(C(=O)c2ccc(COc3ccccc3F)o2)c2ccccc2O1 40131734 FDSLAIHUHDZLCR-HXUWFJFHSA-N 410.401 3.152 0 40 HGAB COc1c2c(cc3c1[C@@H](CC(=O)CCc1ccc4c(c1)OCO4)N(C)CC3)OCO2 20113174 NFMATBVNUCRACD-QGZVFWFLSA-N 411.454 3.274 0 40 HGAB biogenic Cc1ccc([S@](=O)(=S)OCCCO[S@@](=O)(=S)c2ccc(C)cc2)cc1 100254243 HESVPJIYROEOHV-JWQCQUIFSA-N 416.611 3.467 0 40 HGAB O=C(c1cccc(-n2cnnn2)c1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 20427725 UNZUMXGWZXHFPW-UHFFFAOYSA-N 424.508 3.210 0 40 HGAB CCCN1C(=O)[C@@](NC(=O)Cc2ccccc2)(C(F)(F)F)N=C1c1ccccc1 20714259 YAHIQIHMUDXOKX-FQEVSTJZSA-N 403.404 3.303 0 40 HGAB CCOc1ccccc1NC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(OC)ccc1OC 641217 IMACKIHDMQRATC-HXUWFJFHSA-N 411.458 3.369 0 40 HGAB O=C(CSc1ncnc2c1cnn2-c1ccccc1)Nc1ccc2c(c1)OCCO2 904726 DGZYHTNXAXJNSH-UHFFFAOYSA-N 419.466 3.318 0 40 HGAB COc1cc([C@@H]2CC(=O)c3cnc(NC[C@H]4CCCO4)nc3C2)cc(OC)c1OC 2109966 ASKJYRFEUKZQKF-DZGCQCFKSA-N 413.474 3.006 0 40 HGAB biogenic CCOc1ccc(-n2ccnc2SCC(=O)NCc2ccc3c(c2)OCO3)cc1 2723627 RLSSOBCIGSOCHR-UHFFFAOYSA-N 411.483 3.408 0 40 HGAB Cc1nn(C)c(C)c1CNC(=O)c1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1 2755809 NWJWDXOPLLEGMN-UHFFFAOYSA-N 418.379 3.288 0 40 HGAB CC(=O)Nc1sc(C)c(C)c1C(=O)O[C@H](C)C(=O)Nc1ccc2c(c1)OCCO2 3365650 XYYJJFNCLHCFOB-LLVKDONJSA-N 418.471 3.279 0 40 HGAB COC(=O)c1cccc(NC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)c1 3559219 ZQEPLLDKSFMEQF-UHFFFAOYSA-N 416.499 3.290 0 40 HGAB COC(=O)CC[C@H](NC(=O)Nc1cc2c(cc1OC)oc1ccccc12)C(=O)OC 4040521 WQFKYAJEGPHSBK-AWEZNQCLSA-N 414.414 3.211 0 40 HGAB biogenic C[C@H]1CN(c2ccc(Oc3ccccc3)cc2)c2nc3c(c(=O)n(C)c(=O)n3C)n2C1 4249293 QECMCCKGQXXHBQ-HNNXBMFYSA-N 417.469 3.014 0 40 HGAB COc1ccc(NC(=O)COc2coc(CN3CCc4ccccc43)cc2=O)cc1 4304396 OCLVHPGETWOEBU-UHFFFAOYSA-N 406.438 3.229 0 40 HGAB CCOc1ccc(N2C[C@H](C(=O)NCCc3c[nH]c4ccc(OC)cc34)CC2=O)cc1 4732274 TYRRQVSQLCXJMN-QGZVFWFLSA-N 421.497 3.287 0 40 HGAB CC(=O)C[C@]1(O)C(=O)N(CCOc2ccccc2C)c2ccc(Br)cc21 4988116 RSPKVJNQXNTVIL-HXUWFJFHSA-N 418.287 3.350 0 40 HGAB CN(Cc1ccco1)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)CCC3)cc1 5373428 OHLVRHVLDHZSOM-UHFFFAOYSA-N 417.512 3.298 0 40 HGAB O=C(O)CCC(=O)N1C[C@@H]2C[C@H](C1)c1c(-c3ccc4ccccc4c3)ccc(=O)n1C2 5415090 LADWFISKTXWULB-OXJNMPFZSA-N 416.477 3.479 0 40 HGAB biogenic,in-vitro COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(C)cc3)C2)cc1C 6300394 GRYHEKOICYWNHW-KRWDZBQOSA-N 402.516 3.351 0 40 HGAB CCOC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)C1=O 6386051 DSVLZKBCNFIPHJ-OQLLNIDSSA-N 401.396 3.244 0 40 HGAB CC1CCN(S(=O)(=O)c2nnc(NC(=O)C34CC5CC(CC(C5)C3)C4)s2)CC1 6780082 ZUZMLBPKKCMGLB-UHFFFAOYSA-N 424.592 3.114 0 40 HGAB O=C(CSc1nncn1-c1ccccc1F)Nc1ccc(N2CCCC2=O)cc1 6981144 CYKCERYYDXISPH-UHFFFAOYSA-N 411.462 3.264 0 40 HGAB COc1ccc(C(=O)N2CCCN(C)c3nc4ccccc4nc32)c(OC)c1OC 7001282 AQASKERNBVCZIT-UHFFFAOYSA-N 408.458 3.142 0 40 HGAB Cc1cc2nnc(S[C@@H](C)C(=O)Nc3sccc3C(N)=O)n2c2ccccc12 7200339 FPEWSSSZDPRUGL-NSHDSACASA-N 411.512 3.471 0 40 HGAB O=C(N[C@H]1C[C@H]2C(=O)Nc3ccc(-c4ccccc4)cc3C(=O)N2C1)c1ccccc1 8297059 VJHVRINLNWEGHM-UGKGYDQZSA-N 411.461 3.319 0 40 HGAB biogenic,in-vitro CCCOc1ccc(Br)cc1[C@@H]1C(C(=O)OCC)=C(C)Nc2nnnn21 8717606 JKALPLSSXFVSJC-OAHLLOKOSA-N 422.283 3.076 0 40 HGAB CCOc1ccc(NC(=O)NCCS(=O)(=O)c2c(C)[nH]c3ccccc23)cc1 8923875 CFQDHSDQUBICNQ-UHFFFAOYSA-N 401.488 3.470 0 40 HGAB O=c1c2cnn(-c3ccccc3)c2ncn1Cc1nnc(-c2ccc(Cl)cc2)o1 9375943 IPCPDEWLKYLRAT-UHFFFAOYSA-N 404.817 3.334 0 40 HGAB C[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1)c1cccnc1 9469714 OGMKMJFEOZCAJQ-QGZVFWFLSA-N 421.522 3.320 0 40 HGAB CN(C)S(=O)(=O)N(C)c1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 9694886 ZTOPMGMQAZPLNO-UHFFFAOYSA-N 402.303 3.488 0 40 HGAB CCn1c(=O)c2c(nc3n(-c4ccccc4Cl)c(-c4ccccc4)cn23)n(C)c1=O 9713400 QBIHYMVLJYAXCO-UHFFFAOYSA-N 419.872 3.479 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NC3CCCCC3)C2)cc1Cl 9974630 VYQJPLWEGPMVSL-CQSZACIVSA-N 414.955 3.198 0 40 HGAB COc1ccc(NC(=O)C(=O)NC[C@H](c2cccc3ccccc23)N(C)C)c(OC)c1 10333581 SLFYQQYHFCJSMZ-OAQYLSRUSA-N 421.497 3.215 0 40 HGAB CCCSc1nnc(NC(=O)c2nn(-c3ccc(Cl)cc3)ccc2=O)s1 11914106 LPZBFDSSHCFIGG-UHFFFAOYSA-N 407.908 3.492 0 40 HGAB COc1ccccc1CN1CCC(O)(Cn2nc(-c3cccs3)ccc2=O)CC1 12186600 UDQRKXLGVXPJNE-UHFFFAOYSA-N 411.527 3.008 0 40 HGAB COc1ccc(C2=NN(C(=O)CCC(=O)O)[C@@H](c3ccc4nccnc4c3)C2)c(F)c1 12321708 JYDOYDAJSLJECG-HXUWFJFHSA-N 422.416 3.320 0 40 HGAB Cc1ccc2c(c1)[C@@H](O)CC1(CCN(C[C@@H](O)c3ccc4c(c3)OCCO4)CC1)O2 12329339 ZUOGIJIWJSTVCM-VQTJNVASSA-N 411.498 3.150 0 40 HGAB CCOc1nn(CC)cc1-c1nnc(SCC(=O)Nc2ccc(F)cc2F)n1C 12422687 WSLSICRDJGOCEK-UHFFFAOYSA-N 422.461 3.106 0 40 HGAB C[C@@H]1C[C@H]1c1ccc(CCC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)o1 12773002 JHKHMSAZQXXEMH-NVXWUHKLSA-N 420.506 3.008 0 40 HGAB Cc1nc2c(cnn2C(C)C)cc1C(=O)NC[C@H](c1cccs1)N1CCOCC1 12778124 SIWNVYRGOPIFDZ-GOSISDBHSA-N 413.547 3.185 0 40 HGAB C[C@@H](OC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12)C(=O)N1CCCCCC1 12876750 IMDQIFNDRAKTTQ-QGZVFWFLSA-N 419.481 3.334 0 40 HGAB COc1ccc(OC)c([C@H](C)NC(=O)Cn2c(S)nnc2-c2ccc(C)cc2)c1 12902461 LTEKRYHXAUEQHC-AWEZNQCLSA-N 412.515 3.437 0 40 HGAB CS(=O)(=O)N1CCC[C@H](C(=O)Nc2nc(-c3nc4ccccc4s3)cs2)C1 13790208 YMFAIWXVAKOUJH-NSHDSACASA-N 422.557 3.030 0 40 HGAB CS(=O)(=O)N(CCCC(=O)NCc1cccnc1)c1cc(Cl)ccc1Cl 14000181 OLOWVTQAOPADAQ-UHFFFAOYSA-N 416.330 3.251 0 40 HGAB C[C@H](c1nnc(SCC(=O)Nc2ccccc2)n1C)N1C(=O)COc2ccccc21 15019283 WVTNWLBZBMIKAS-CQSZACIVSA-N 423.498 3.033 0 40 HGAB COc1cc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c(OC)cc1Cl 15475051 IIGMTYRHFDMLTG-UHFFFAOYSA-N 424.906 3.394 0 40 HGAB COC(=O)c1c(SCC(=O)Nc2ccc(F)c(F)c2)[nH]c2ccccc2c1=O 15731481 XGKGTJBVBRNTGT-UHFFFAOYSA-N 404.394 3.324 0 40 HGAB C[C@@H]1CS(=O)(=O)N(c2ccc(C(=O)Nc3cccc(C(F)(F)F)c3)cc2)C1=O 15842980 UBARJZVONOYLBL-LLVKDONJSA-N 412.389 3.270 0 40 HGAB Cc1cc(Br)ccc1SCC(=O)Nc1ccc(-n2cnnn2)cc1 18184298 VPMBTBFLYDDLRQ-UHFFFAOYSA-N 404.293 3.464 0 40 HGAB Cn1cc(-c2ccnc(N3CCCC3)n2)c([C@@H]2CCCN(C(=O)c3ccccc3)C2)n1 19290152 YCRPMPDOWMRNRM-LJQANCHMSA-N 416.529 3.497 0 40 HGAB CCOc1ccc(NC(=O)CN(CC)S(=O)(=O)c2ccc(OC)c(C)c2)cc1 19929753 FWFGDPRQJFMNJA-UHFFFAOYSA-N 406.504 3.052 0 40 HGAB CCCCOC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)oc(=O)n3CC)cc1 19936854 LLURELCPMXZTGN-UHFFFAOYSA-N 418.471 3.372 0 40 HGAB COc1ccc(N([C@H](C)C(=O)Nc2cc(Cl)ccc2OC)S(C)(=O)=O)cc1 20239253 KQEDKFLLHNOGFW-GFCCVEGCSA-N 412.895 3.150 0 40 HGAB Cc1cc(C)c2c(CN3CCN(Cc4ccc5c(c4)OCO5)CC3)cc(=O)oc2c1 20412483 VYIPKKJRXQUZKZ-UHFFFAOYSA-N 406.482 3.456 0 40 HGAB biogenic CCOC(=O)[C@@](NCCc1ccc(OC)cc1)(NC(=O)c1ccccc1)C(F)(F)F 20792260 ICAYSJKXAAHDNI-HXUWFJFHSA-N 424.419 3.079 0 40 HGAB CS(=O)(=O)N(Cc1ccccc1)c1ccc(OCC(=O)NC2CCCC2)cc1 22230952 NKEASTSKNRIGKI-UHFFFAOYSA-N 402.516 3.090 0 40 HGAB Cc1[nH]c2ccc(C(=O)NN3C(=O)N[C@@](C)(CCc4ccccc4)C3=O)cc2c1C 23752423 GOUQYVLCVDXXTK-QHCPKHFHSA-N 404.470 3.373 0 40 HGAB O=S(=O)(c1cccc(F)c1)N1CCN(Cc2coc(-c3cccs3)n2)CC1 23882359 ZHRSSHJUFFXIHE-UHFFFAOYSA-N 407.492 3.049 0 40 HGAB Cc1cc2nc(NCc3ccc(S(=O)(=O)N(C)C)s3)c3ccccc3n2n1 26699979 BKUFYQHJWFGDGR-UHFFFAOYSA-N 401.517 3.115 0 40 HGAB CCCc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3c(C)noc3C)C2)cc1 32200852 FKZCFUQFUNSCIF-KRWDZBQOSA-N 405.520 3.283 0 40 HGAB Cc1cc(OCC(=O)N[C@@H](C)c2ccc(-n3cc(C(N)=O)nn3)cc2)ccc1C(C)C 32928205 HCYXWUXHPZJOMM-INIZCTEOSA-N 421.501 3.054 0 40 HGAB COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NCc2ccco2)cc1OC 33314337 UKUIFGUTJOCGKF-ATVHPVEESA-N 412.467 3.446 0 40 HGAB CC(=O)N1CCCc2cc([C@@H](O)CN3CCN(c4cccc(Cl)c4)CC3)ccc21 36741186 SBTNUWYLAXYPAN-QHCPKHFHSA-N 413.949 3.495 0 40 HGAB C[C@H]1CCc2c(sc(NC(=O)[C@H]3CCS(=O)(=O)C3)c2C(=O)c2ccccc2)C1 40072362 RTNSHIYPAHXRNM-ZFWWWQNUSA-N 417.552 3.477 0 40 HGAB COc1cccc2cc(C(=O)NCC3CCN(C(=O)COc4ccccc4)CC3)oc12 43981330 OUAPLLARSOEDSE-UHFFFAOYSA-N 422.481 3.489 0 40 HGAB CC(=O)c1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1 52412257 HPBRPNHPKRGBEE-HNNXBMFYSA-N 414.845 3.077 0 40 HGAB O=C(COc1ccc(F)cc1Br)NC(=O)Nc1ccc2c(c1)OCO2 53047907 ZDSLOWXJRDUYNT-UHFFFAOYSA-N 411.183 3.044 0 40 HGAB CCC(C)(C)n1nnnc1[C@H](c1cc(OC)ccc1OC)N1CCC(C(=N)O)CC1 57669975 LUNIFHKVHQWWHP-SFHVURJKSA-N 416.526 3.172 0 40 HGAB COC(=O)c1cc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)c(C)o2)cc(C)c1C 58163042 NNJWHOGTFWXHOT-UHFFFAOYSA-N 420.487 3.028 0 40 HGAB COc1cccc(-n2nnc(C(=O)NCCc3cccs3)c2-c2ccncc2)c1 67261791 HOMCAYXIXOHFLD-UHFFFAOYSA-N 405.483 3.372 0 40 HGAB O=C(Cn1nc(-c2ccccc2F)ccc1=O)Nc1nc(-c2cccnc2)cs1 71281618 BNKZJVJPLNGPLV-UHFFFAOYSA-N 407.430 3.207 0 40 HGAB COc1ccc2c(c1)N[C@@]1(COC3(CCN(C(=O)[C@H]4CCCO4)CC3)C1)c1cccn1-2 72327300 DHJIVAIQYIHOOT-YKSBVNFPSA-N 423.513 3.067 0 40 HGAB Cn1nc([C@@H]2CCCN(C(=O)Cc3ccccc3Cl)C2)n(-c2ccccc2)c1=O 77100579 RAADUHVFNBMJCF-QGZVFWFLSA-N 410.905 3.173 0 40 HGAB O=S(=O)(NCCSCc1ccnc(Cl)c1)c1c(Cl)nc2ccccn12 95458396 ZXQWLCPXZWFRQB-UHFFFAOYSA-N 417.343 3.248 0 40 HGAB O=S(=O)(c1ccccc1)N1C[C@H]2CN(Cc3ccc(C(F)(F)F)cc3)C[C@@H]2C1 96245397 AMROHVSSEUFAAR-IAGOWNOFSA-N 410.461 3.458 0 40 HGAB COc1ccc(C)cc1N([C@@H](C)C(=O)N[C@@H](C)c1ccc(F)cc1)S(C)(=O)=O 220347393 LHZYFPXSWIVHBZ-GJZGRUSLSA-N 408.495 3.175 0 40 HGAB COc1ccc(C)cc1S(=O)(=O)N1CCC[C@@H](C(=O)N(C)c2ccccc2)C1 222549748 IFBQGFKKWTZXSI-QGZVFWFLSA-N 402.516 3.067 0 40 HGAB CC(C)Oc1cccc(CNC(=O)c2cccc(N3CCCCS3(=O)=O)c2)c1 222555811 YFYAQPWWEFVPJW-UHFFFAOYSA-N 402.516 3.334 0 40 HGAB Cc1ccc(CCCNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)cc1 225520226 IRMGOTONMIELCA-NRFANRHFSA-N 414.571 3.453 0 40 HGAB Cc1nn(-c2ccccn2)c(C)c1CCNS(=O)(=O)c1cccc(Cl)c1C 225583678 QXGLPFQWFHSATC-UHFFFAOYSA-N 404.923 3.367 0 40 HGAB CCOC(=O)[C@@]1(CN)[C@@H](S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1cccc(Cl)c1 225661642 FYDSZLRCGNAQST-CMKODMSKSA-N 407.919 3.096 0 40 HGAB C[C@H]1Cc2cc(C(=O)N3[C@H]4CC[C@H]3CC(O)(c3ccc5c(c3)OCO5)C4)ccc2O1 253594326 XXJPTRWOUWLBSQ-JVPBZIDWSA-N 407.466 3.394 0 40 HGAB COc1ccccc1Cc1cnc([C@@H]2CCCCN2C(=O)c2cc(C)nc(N)n2)o1 257312039 UMEHTDZVWKMIFT-SFHVURJKSA-N 407.474 3.322 0 40 HGAB COc1ccc(C)cc1S(=O)(=O)N1CCC[C@H](C(=O)N(C)c2ccc(F)cc2)C1 260746451 RYPDFMKJEVSDDQ-INIZCTEOSA-N 420.506 3.206 0 40 HGAB O=C(O)CCSc1nc2ccc(NC(=O)[C@@H]3[C@@H](C(=O)O)[C@H]4C=C[C@H]3C4)cc2s1 408751455 ZQDFWSOIIPWPBD-NXPNQGMMSA-N 418.496 3.325 0 40 HGAB Cc1cc(C)c(S(=O)(=O)NCC(=O)Nc2cccc(Br)c2)c(C)c1 409109646 IRNMGCZHHBCJFM-UHFFFAOYSA-N 411.321 3.291 0 40 HGAB CC1=NN(C(=O)c2ccccc2Br)[C@@](O)(C(F)(F)OC(F)(F)F)C1 409181841 FVKLYPRRBAONFV-NSHDSACASA-N 417.128 3.489 0 40 HGAB COCCN1C(=O)C[C@@H](CN[C@H](C)Cc2ccccc2F)[C@@H]1c1cnn(C(C)C)c1 583622934 HPGHIQKQBILDDG-HFJQGTKSSA-N 416.541 3.360 0 40 HGAB CC1CCN(CC(=O)N2CCCCNC(=O)c3cc(Cl)ccc3OCCC2)CC1 643558822 VAJKTKYLPPYBQH-UHFFFAOYSA-N 421.969 3.193 0 40 HGAB CC(C)NC(=O)N1C[C@H]2CC[C@H](CNC(=O)C3CC(F)(F)C3)N2Cc2ccccc21 1565556526 MMUFYMAHGRHJDE-QZTJIDSGSA-N 420.504 3.119 0 40 HGAB COc1ccc(F)cc1S(=O)(=O)N1[C@H]2CC[C@H]1CC(n1cc(C(C)(C)C)nn1)C2 1889211651 QRLAJMUIMKCNOR-GJZGRUSLSA-N 422.526 3.280 0 40 HGAB COC(=O)c1ccc(OC)c(S(=O)(=O)NCCc2ccc(-c3ccco3)s2)c1 2086896712 RZUNRCVVNBQGCA-UHFFFAOYSA-N 421.496 3.324 0 40 HGAB Cc1ccc(Cl)cc1NC(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 1324759 GLSFCXWEYJQDMD-INIZCTEOSA-N 408.907 3.358 0 40 HGAB CC(C)(C)c1ccc([C@]2(C)NC(=O)N(CC(=O)NCCc3ccccc3)C2=O)cc1 2634191 CUXMZKHHNGLVAX-DEOSSOPVSA-N 407.514 3.110 0 40 HGAB O=C(CSc1nc2c(c(=O)n1-c1ccccc1)SCC2)N1CCCCCC1 2719661 FLBUNYPUYZVPPV-UHFFFAOYSA-N 401.557 3.375 0 40 HGAB COc1ccc(CN2C(=O)[C@](O)(CC(=O)c3ccccn3)c3ccccc32)cc1OC 2855469 LZEPMVNVWIJLJS-DEOSSOPVSA-N 418.449 3.106 0 40 HGAB C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3cccc(Cl)c3)cc2)C[C@@H](C)O1 3183202 JBVQKDKVUSOXHH-ZIAGYGMSSA-N 408.907 3.390 0 40 HGAB COc1cc(CCC(=O)OCC(=O)Nc2ccc(F)c(F)c2)cc(OC)c1OC 3217000 AZLWYUWDJGYTPZ-UHFFFAOYSA-N 409.385 3.105 0 40 HGAB Cc1c(C(=O)OCn2nnc3ccccc3c2=O)oc2ccc(Br)cc12 3427622 JVKFYXWTXUDHOF-UHFFFAOYSA-N 414.215 3.423 0 40 HGAB CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)CSc1n[nH]c(N)n1 3524495 LZEQMPYNLTUDRT-UHFFFAOYSA-N 403.489 3.023 0 40 HGAB COc1ccc(OC)c(S(=O)(=O)NCCc2sc(-c3cccnc3)nc2C)c1 4346962 QCNBYUVKWLFIHR-UHFFFAOYSA-N 419.528 3.052 0 40 HGAB CCCOC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccc(OC)c(Br)c1 4368264 MJRGCTJHDSHELK-OAHLLOKOSA-N 407.268 3.291 0 40 HGAB Cc1ccc(S(=O)(=O)Oc2ccc(C(=O)COC(=O)c3ccco3)cc2)cc1 4610426 WILZAMJUTINMDQ-UHFFFAOYSA-N 400.408 3.395 0 40 HGAB COc1ccccc1N1C(=O)[C@H]2C3c4ccccc4C(CO)(c4ccccc43)[C@@H]2C1=O 4832673 HDYVRKSBVJNQPV-ZQFKLAOWSA-N 411.457 3.238 0 40 HGAB COc1ccc(OC)c(-n2cc3c(c2-c2cccc(C)c2)c(=O)n(C)c(=O)n3C)c1 5149730 PNUHWIYVFPZHNX-UHFFFAOYSA-N 405.454 3.021 0 40 HGAB COc1ccc(NS(=O)(=O)c2cc(C)ccc2OC)cc1N1CCCCC1=O 5330181 MYQMNWJBQSCWEC-UHFFFAOYSA-N 404.488 3.330 0 40 HGAB O=C(COc1ccc(F)cc1)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1 6578754 LDJHOUVXSVXLGD-UHFFFAOYSA-N 406.479 3.408 0 40 HGAB O=C(CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)c1ccc2c(c1)OCO2 6589033 AESBNBBUJHNJLC-UHFFFAOYSA-N 414.417 3.094 0 40 HGAB CCc1cc(=O)oc2cc(OCC(=O)NC[C@H](O)c3ccccc3)c(Cl)cc12 6659181 WMWHAJZRPFSBBN-KRWDZBQOSA-N 401.846 3.237 0 40 HGAB CC1CCN(S(=O)(=O)c2csc(C(=O)Nc3ccc(C(=O)O)cc3)c2)CC1 6680679 GAFDKBOIWQCRMD-UHFFFAOYSA-N 408.501 3.119 0 40 HGAB CCN1CCN(C(=O)c2ccc([C@H]3SCC(=O)N3CCc3ccccc3)cc2)CC1 6953438 LYGRVOARVKCMOA-XMMPIXPASA-N 423.582 3.281 0 40 HGAB Cc1ccc(SCC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)c(C)c1 7695940 SUDPBBOCYJFOES-UHFFFAOYSA-N 422.547 3.068 0 40 HGAB CC(C)N(Cc1nc2ccccc2c(=O)[nH]1)C(=O)/C=C/c1ccc2c(c1)OCCO2 7738220 OKQXJPCDRGECLC-CSKARUKUSA-N 405.454 3.145 0 40 HGAB Cn1cccc1C(=O)NC(=O)COC(=O)c1ccc(-c2nc3ccccc3s2)o1 8075550 GYQHISIWFOKGAC-UHFFFAOYSA-N 409.423 3.008 0 40 HGAB COc1cc(C(=S)N2CCOCC2)ccc1OCC(=O)Nc1ccc(Cl)cc1 8113160 XBCQDLMRVHFXNC-UHFFFAOYSA-N 420.918 3.374 0 40 HGAB CS(=O)(=O)N(CCc1ccccc1)CC(=O)Nc1ccc(Cl)c(Cl)c1 8169475 ZFQXGSLBCQHJJS-UHFFFAOYSA-N 401.315 3.436 0 40 HGAB COC(=O)c1cc(NC(=O)C2CCN(Cc3ccc(C)cc3)CC2)cc(C(=O)OC)c1 9063179 AWUGGDIZMPKRGO-UHFFFAOYSA-N 424.497 3.419 0 40 HGAB CC(=O)N1N=C(c2ccccc2NS(C)(=O)=O)C[C@@H]1c1ccc2ncccc2c1 9378558 YHNOKULOXQVCFF-OAQYLSRUSA-N 408.483 3.304 0 40 HGAB CCn1cc(C(=O)NC[C@H](c2ccco2)N2CCCCC2)c(=O)c2ccc(C)nc21 9754100 CWESJRZHGDURIK-LJQANCHMSA-N 408.502 3.275 0 40 HGAB COc1ccc(Cl)cc1N(CC(=O)NCCCc1cccc(C)c1)S(C)(=O)=O 10110694 DFFIFUDCZKCXLZ-UHFFFAOYSA-N 424.950 3.172 0 40 HGAB COC(=O)c1cccc(NC(=O)[C@H](C)N(c2cc(Cl)ccc2C)S(C)(=O)=O)c1 10371325 GEXXSMRPIHPJIZ-ZDUSSCGKSA-N 424.906 3.228 0 40 HGAB CN(Cc1ccccc1N1CCOCC1)C(=O)COc1ccc(Br)cc1 10900773 NDRUTARRXIYKTA-UHFFFAOYSA-N 419.319 3.323 0 40 HGAB COc1ccc(CNC(=O)Cn2c(COc3ccccc3)nc3ccccc32)cn1 10989569 UBDAOZOJZQJVOV-UHFFFAOYSA-N 402.454 3.335 0 40 HGAB CC(C)(C)OC(=O)Nc1ccc(C(=O)NCc2ccc(N3CCOCC3)nc2)cc1 11153002 MACLMBVZVCJGQT-UHFFFAOYSA-N 412.490 3.195 0 40 HGAB O=C(C[C@H]1CSc2nc3c(cnn3-c3ccccc3)c(=O)n21)Nc1cccc(F)c1 11613357 HUDBDUJSTWBDSI-INIZCTEOSA-N 421.457 3.397 0 40 HGAB CC(C)c1nccn1CC(=O)N1CCC[C@@H](c2nc3ccc(F)cc3cc2C(N)=O)C1 12088409 IDUSHGRXXKWCNK-OAHLLOKOSA-N 423.492 3.199 0 40 HGAB CCc1cccc(CC)c1NC(=O)COC(=O)CCc1nc2ccccc2c(=O)[nH]1 12486002 UEKPKOBSSUZICF-UHFFFAOYSA-N 407.470 3.162 0 40 HGAB OC[C@@H]1CCCN(c2ncc(-c3ccnc(N4CCCC4)n3)c(-c3ccco3)n2)C1 12666769 UZLMBTRODJISSX-MRXNPFEDSA-N 406.490 3.003 0 40 HGAB CCc1cccc(CC)c1NC(=O)CCS(=O)(=O)c1ccc2c(c1)OCCO2 12823112 GFVCNBFWPQCWGI-UHFFFAOYSA-N 403.500 3.385 0 40 HGAB Cc1c(Cl)cccc1NS(=O)(=O)c1ccn(S(=O)(=O)c2ccccc2)c1 13585720 ZRRWTIMUZLGAKP-UHFFFAOYSA-N 410.904 3.488 0 40 HGAB Cc1cccc(-c2n[nH]c(=S)n2CCC(=O)Nc2ccc(N3CCOCC3)nc2)c1 14240545 VLSCCZIHNMFAES-UHFFFAOYSA-N 424.530 3.177 0 40 HGAB Cc1ccccc1-c1nc2scc(CCNS(=O)(=O)c3cccs3)n2n1 15783908 NPBZTHFRRYOOCU-UHFFFAOYSA-N 404.542 3.349 0 40 HGAB Cc1[nH]nc2c1[C@@H](c1cnn(C)c1)c1c(ncn3nc(-c4c[nH]c5ccccc45)nc13)O2 17093521 QSUMCHWOISDNTG-QGZVFWFLSA-N 423.440 3.324 0 40 HGAB CCOc1ccc([C@H](c2sc3nc(C)nn3c2O)N2C[C@H](C)O[C@H](C)C2)cc1 17307529 LVCBFHAITIZIKM-IIYDPXPESA-N 402.520 3.402 0 40 HGAB COc1cccc([C@H](NS(=O)(=O)c2cnc(NC(C)=O)s2)c2ccccc2)c1 19022986 SQDRSAYMNPPIOK-GOSISDBHSA-N 417.512 3.178 0 40 HGAB Cc1cc2n(n1)[C@@H](C(F)F)C[C@@H]([C@@H]1CCCN(C(=O)CCc3cccnc3)C1)N2 19127806 SQWRIVXRHGVISQ-FGTMMUONSA-N 403.477 3.448 0 40 HGAB COc1cccc(CC(=O)N[C@H](Cc2cc(=O)[nH]c(C)n2)c2ccc(Cl)cc2)c1 19285303 FRRNALGXYRUKPB-HXUWFJFHSA-N 411.889 3.383 0 40 HGAB CC(C)n1cnc2cc(C(=O)N3CCO[C@H](c4nc(-c5ccccn5)no4)C3)ccc21 19454998 JMJFEYFYOPPMQG-IBGZPJMESA-N 418.457 3.276 0 40 HGAB O=C(CN1CC[C@H](c2cc(COc3ccc(F)cc3)[nH]n2)C1)NC1CCCCC1 19738946 GVVKIYPGIWDSOI-INIZCTEOSA-N 400.498 3.366 0 40 HGAB Cc1ccc(OCCNC(=O)CN(c2cccc3ccccc23)S(C)(=O)=O)cc1 22339811 TYEMXYFGJHFJCU-UHFFFAOYSA-N 412.511 3.109 0 40 HGAB C[C@H](Sc1nc(CN2CCOCC2)nc2ccccc12)C(=O)NC1CCCCC1 22358273 NQOFCZDRIWKOOZ-INIZCTEOSA-N 414.575 3.392 0 40 HGAB COc1ccc(-c2cc3ccc(OCCN4CCN(C)CC4)cc3oc2=O)cc1OC 22933416 ZEFURBLHJBNZJS-UHFFFAOYSA-N 424.497 3.103 0 40 HGAB biogenic COc1c(Br)cc(F)cc1NC(=O)CCN1C(=O)COc2ccccc21 23514428 RJLJKISHFDETMZ-UHFFFAOYSA-N 423.238 3.351 0 40 HGAB O=C(N[C@H]1CCSc2ccc(F)cc21)[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 24634486 UZOQOQBRPTUJOJ-WBMJQRKESA-N 414.458 3.261 0 40 HGAB CCn1c(=O)n(CC(=O)N[C@H](c2ccc(Cl)cc2)c2nccn2C)c2ccccc21 24705070 MCLRVRJVFGXXHO-HXUWFJFHSA-N 423.904 3.116 0 40 HGAB C[C@@H](NC(=O)Cc1cccc2ccccc12)C(=O)N1CCN(C)C[C@@H]1c1ccccc1 30029400 CZHMCTYIYXQCGY-NTKDMRAZSA-N 415.537 3.402 0 40 HGAB COC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2cccc(N(C)C)c2)CC1 30685338 DWORVEBVEJOMAI-HXUWFJFHSA-N 415.921 3.078 0 40 HGAB COCC(=O)Nc1ccc(NC(=O)c2cccc(I)c2)cc1 31138618 XMGYEUXUQABUNW-UHFFFAOYSA-N 410.211 3.128 0 40 HGAB C[C@H]1C[C@@H](C)CN([C@@H](C(=O)O)c2c[nH]c3ccc(NC(=O)CCC(=O)O)cc23)C1 31821017 PWFLZHDOOXMJNR-MTJIALIYSA-N 401.463 3.075 0 40 HGAB COc1c2c(c(NC(=O)c3ccc(Cl)nc3Cl)c3c1OCO3)CCN(C)C2 32123961 PYRKGSGJFKAZLN-UHFFFAOYSA-N 410.257 3.366 0 40 HGAB biogenic Cc1ccc(C)c(S(=O)(=O)C2(C(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)CCCC2)c1 32449243 NJKIIDDSLXYJEW-UHFFFAOYSA-N 413.499 3.198 0 40 HGAB CCOC(=O)C1=C(COC(=O)c2cc3ccc(F)cc3s2)NC(=O)N[C@H]1CC 32739679 WPMKXFZHJQCIBC-LBPRGKRZSA-N 406.435 3.106 0 40 HGAB CCN(CC(=O)NCC12CC3CC(CC(C3)C1)C2)Cc1nc2ccccc2c(=O)[nH]1 34889402 OYGQMSTUEFABJW-UHFFFAOYSA-N 408.546 3.078 0 40 HGAB CC(C)Cn1c(=O)c2sccc2n2c(CCC(=O)NCc3ccccc3)nnc12 35528513 BVRQDFYWKDPYRS-UHFFFAOYSA-N 409.515 3.011 0 40 HGAB O=C(C[C@H]1NC(=O)c2ccccc2N=C1O)NCCc1c[nH]c2ccc(Cl)cc12 36594786 VEBYRKWEOYACFG-GOSISDBHSA-N 410.861 3.270 0 40 HGAB biogenic CCOc1cccc(CNC(=O)CN(c2cccc3ccccc23)S(C)(=O)=O)c1 38771906 MWQXRDUOPUGJMC-UHFFFAOYSA-N 412.511 3.321 0 40 HGAB COc1cc(C(C)=O)ccc1OCCCC(=O)N1CCCc2c(C(N)=O)cccc21 40134119 ZJRZGBNIPQFIJB-UHFFFAOYSA-N 410.470 3.135 0 40 HGAB COc1cc(-n2cnnn2)c(Cl)cc1C(=O)OCc1nc2ccccc2s1 40140488 KGFQJRHLPUSJFI-UHFFFAOYSA-N 401.835 3.291 0 40 HGAB COC(=O)c1ccsc1NC(=O)[C@H]1CC(=O)N(c2cc(Cl)ccc2OC)C1 59326347 JELZSULBJHKDJD-JTQLQIEISA-N 408.863 3.188 0 40 HGAB O=C(CNC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1)Nc1ccc(F)cc1 64397862 HTHQNIFHKWWWJY-UHFFFAOYSA-N 415.428 3.442 0 40 HGAB O=C(CSc1nnc2c(=O)n(-c3ccccc3)ccn12)Nc1cccc(Cl)c1 64593446 AWMITHYMEFWENC-UHFFFAOYSA-N 411.874 3.264 0 40 HGAB O=c1c2cc(-c3ccc(Cl)cc3)nn2ccn1Cc1nc(-c2ccccn2)no1 64947361 ROUWVOQVBYFTLZ-UHFFFAOYSA-N 404.817 3.310 0 40 HGAB COc1cccc(-n2cc(C(=O)O)c3c2[C@H](c2ccc4c(c2)OCO4)CC(=O)N3)c1 66087481 UIHDMZNZCXTTHP-HNNXBMFYSA-N 406.394 3.387 0 40 HGAB COCc1cc(N2CCOCC2)nc(C2=CCN(Cc3ccc(Cl)cc3)CC2)n1 72339646 QOKIDWUGLZSPRU-UHFFFAOYSA-N 414.937 3.402 0 40 HGAB CNc1cc([C@@H]2CC(=O)N(Cc3ccccc3)C2)nc(CN(C)C(=O)C(C)(C)C)n1 72391856 PUSHHGUKGTWKFY-QGZVFWFLSA-N 409.534 3.039 0 40 HGAB O=C(CNC(=O)N1CCN(c2ccc(Cl)cc2)CC1)Nc1c(F)cccc1F 72400800 URTQAINDFRMVKB-UHFFFAOYSA-N 408.836 3.089 0 40 HGAB O=c1ccc(-c2nc(-c3cnccn3)no2)cn1Cc1cccc(Br)c1 77199980 YQUBULLXRCCKIY-UHFFFAOYSA-N 410.231 3.166 0 40 HGAB COc1ccc(CCc2nc(NC(=O)c3cc(-c4ccccc4)[nH]n3)n[nH]2)cc1OC 95474355 MYBXGCCKSNGEBC-UHFFFAOYSA-N 418.457 3.250 0 40 HGAB Cn1cc(-c2nc([C@H]3CCCCCN3C(=O)c3cc(-c4ccco4)on3)no2)cn1 96001922 NTIMNWQJBWYGBO-OAHLLOKOSA-N 408.418 3.476 0 40 HGAB Cc1ccc(CNC(=O)C2=NO[C@]3(CCCN(C(=O)c4ccccc4C)C3)C2)cc1 96074448 LAAHBTGSLCPNBW-XMMPIXPASA-N 405.498 3.371 0 40 HGAB COc1ccc(C(=O)CNC(=O)COc2ccc3c(C)c(C)c(=O)oc3c2C)cc1 96115493 LCGVQYCMBDXISZ-UHFFFAOYSA-N 409.438 3.105 0 40 HGAB biogenic Cc1nnc(NC(=O)C2CCN(c3cc(-n4ccc5ccccc54)ncn3)CC2)s1 96124045 UXYCYMPIWFYOOI-UHFFFAOYSA-N 419.514 3.436 0 40 HGAB COC(=O)c1c(N2C(=O)C[C@H](Sc3ccc(N)cc3)C2=O)sc2c1CCC2 103719411 QUCYYNZVLGGIDJ-AWEZNQCLSA-N 402.497 3.030 0 40 HGAB C[C@@H](C(=O)NCCSc1ccccc1)N(c1ccc(F)c(F)c1)S(C)(=O)=O 220445717 QZXFLYUBRHRRBL-ZDUSSCGKSA-N 414.499 3.028 0 40 HGAB Cc1cccc(CSCCNC(=O)[C@@H](C)N(c2cccc(F)c2)S(C)(=O)=O)c1 220472461 AXFDKAONYYXVGS-MRXNPFEDSA-N 424.563 3.338 0 40 HGAB CCN(c1ccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)cc1)S(=O)(=O)CC 222402145 OVUFFDHRMHMNRY-UHFFFAOYSA-N 415.515 3.242 0 40 HGAB Cc1ccccc1OC[C@@H](C)NC(=O)c1cc(N(C)S(C)(=O)=O)ccc1Cl 222505009 HUMPUNBSUNYADT-CQSZACIVSA-N 410.923 3.242 0 40 HGAB CCC[C@H](C)NC(=O)c1ccc(NS(=O)(=O)c2ccc(OC)c(OC)c2)cc1 223991244 SIPYDDFDLGFREU-AWEZNQCLSA-N 406.504 3.423 0 40 HGAB CCN(c1cc(C(=O)OC)ccc1Cl)S(=O)(=O)c1ccc(OC)c(OC)c1 224813899 ZMGIQNLSJQFBTK-UHFFFAOYSA-N 413.879 3.359 0 40 HGAB CCOc1ccc(S(=O)(=O)N(CC(=O)NCC(C)(C)C)Cc2ccccc2)cc1 226075493 LJPMHIARKXYPTC-UHFFFAOYSA-N 418.559 3.439 0 40 HGAB CC1(C)Oc2c(O)cccc2[C@H]2O[C@H]3CCN(C(=O)CCCC(=O)O)C[C@H]3C[C@@H]21 257201841 AJGDFYABOCJCEE-GKTLAZJLSA-N 403.475 3.113 0 40 HGAB CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N1c2ccccc2C[C@H]1C 260793212 HIWIZRTWVWNKIN-FOIQADDNSA-N 402.516 3.218 0 40 HGAB COc1ccc(C2=NN(C(=O)CCc3ccccc3O)[C@](O)(C(F)(F)F)C2)cc1 408562744 BBADXEXLWPTBJU-LJQANCHMSA-N 408.376 3.221 0 40 HGAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cccc(OC)c2)cc1Cl 408610106 UWWAOFYERUPGQI-LBPRGKRZSA-N 412.895 3.053 0 40 HGAB Cc1ccc([C@@H]2[C@H](NC(=O)c3ccc(F)cc3)C(=O)N/[N+]2=C\c2ccccc2C)cc1 409061574 FXJSUONEGDLKHO-LMOLPZMTSA-O 416.476 3.459 0 40 HGAB O=C(COC(=O)c1cccc(N2C(=O)C=CC2=O)c1)Nc1cccc(Cl)c1Cl 409219620 OKHFMIUEGOVZDV-UHFFFAOYSA-N 419.220 3.218 0 40 HGAB O=C(NC[C@@H]1OCCc2ccccc21)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1 603341607 XUSVLVRENOYKDQ-SFHVURJKSA-N 405.903 3.077 0 40 HGAB CC(C)(C)c1cn2nc(OCC3CCN(C(=O)c4ncccc4F)CC3)ccc2n1 1888888214 XNSJIMUFOBAVDI-UHFFFAOYSA-N 411.481 3.492 0 40 HGAB Cc1cc(NC(=O)CSc2nnc(-c3ccc(O)cc3)n2Cc2ccco2)no1 897492 MKELTHLPPWPMBN-UHFFFAOYSA-N 411.443 3.319 0 40 HGAB C[C@H]1CCc2c(sc3ncn4c(SCC(=O)NCc5ccco5)nnc4c23)C1 929574 PFJQSMVLMBMGIL-NSHDSACASA-N 413.528 3.465 0 40 HGAB COc1cc(C(C)=O)ccc1OC[C@H](O)CN1CCN(c2ccc(C)c(C)c2)CC1 2709684 RJAPZZNJUABBLC-JOCHJYFZSA-N 412.530 3.077 0 40 HGAB Cc1nc2ccccc2n1CCc1nn(CCC(N)=O)c(=S)n1-c1ccccc1 3851081 FTJOCKHURCVXRW-UHFFFAOYSA-N 406.515 3.180 0 40 HGAB Cc1ccc(C)c2[nH]c(=O)c(CN(CCCN(C)C)C(=S)NCC(C)C)cc12 4161992 ZWZFEZJAUFPDJY-UHFFFAOYSA-N 402.608 3.429 0 40 HGAB COc1ccc(C(=O)NC[C@H](c2ccco2)S(=O)(=O)c2ccccc2)cc1OC 4518973 BSJQBJUOZWZOMV-HXUWFJFHSA-N 415.467 3.242 0 40 HGAB CCN(CC)C(=O)Cn1cc(C(=O)C(=O)Nc2ccccc2OC)c2ccccc21 5086987 KSZYGOCJNDUOBF-UHFFFAOYSA-N 407.470 3.340 0 40 HGAB O=C([C@H]1COc2ccccc2O1)N1CCN(c2nc3ccc(Cl)cc3s2)CC1 5181259 JPODDLDJFWZBLO-QGZVFWFLSA-N 415.902 3.438 0 40 HGAB COc1ccc(-c2cc3ccc(OC(=O)N4CCOCC4)cc3oc2=O)c(OC)c1 5206300 ARUMUIZEHOVFLA-UHFFFAOYSA-N 411.410 3.308 0 40 HGAB biogenic Cc1nc2sc(C(=O)O[C@H](C)C(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)c(C)c2c(=O)[nH]1 5311575 PIIVBFTXKBFOLH-BQSGVUBFSA-N 405.520 3.088 0 40 HGAB COc1ccc(-n2cc3c(c2-c2ccc(C)cc2)c(=O)n(C)c(=O)n3C)c(OC)c1 5345190 LHIHPXMOYSZFRL-UHFFFAOYSA-N 405.454 3.021 0 40 HGAB CCOc1ccccc1N1C(=O)NC(=O)/C(=C(/C)NCc2ccccc2Cl)C1=O 5799704 DVXHNNVJLFPCPJ-QGOAFFKASA-N 413.861 3.385 0 40 HGAB Cc1ccc(NS(=O)(=O)c2ccccc2F)cc1S(=O)(=O)N1CCCCC1 5866981 RZISIIZIUROPIJ-UHFFFAOYSA-N 412.508 3.110 0 40 HGAB COc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCC3)C2=O)ccc1OCC(C)C 6327171 SERJJWKUDZCTLD-WQRHYEAKSA-N 418.515 3.389 0 40 HGAB O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCC(F)(F)F)c1ccc(F)cc1 6549929 NJHVFFQAEABFHG-QGZVFWFLSA-N 407.367 3.327 0 40 HGAB CCS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)N(C)Cc1ccc(Cl)cc1 6845235 IFBUDLQGUYPSIR-IBGZPJMESA-N 406.935 3.075 0 40 HGAB CCN(CC)C(=O)COc1ccc(S(=O)(=O)NCc2ccccc2)cc1Cl 6948698 DSJKNTKTYIXFNN-UHFFFAOYSA-N 410.923 3.066 0 40 HGAB Cc1ccc(COC(=O)c2cccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)c2)cc1 7562063 YAHAJWCQGGEIHJ-IRXDYDNUSA-N 403.500 3.150 0 40 HGAB O=C(CNC(=O)c1ccc(Cl)cc1Cl)Nc1ccc(N2CCCC2=O)cc1 7640247 CCTDKKKNJZFVOS-UHFFFAOYSA-N 406.269 3.489 0 40 HGAB Cc1ccccc1C(=O)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 7805744 JQHDQTQLAMFCSM-UHFFFAOYSA-N 412.433 3.161 0 40 HGAB CC[C@H](Oc1ccccc1OC)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 8496435 DCOCSUQGJRUHCM-SFHVURJKSA-N 418.515 3.276 0 40 HGAB C[C@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)NCc2cccc(Cl)c2)C1=O 8622732 WUFZZGYZKNKQQI-LJQANCHMSA-N 406.269 3.077 0 40 HGAB O=c1ccc(-c2cccs2)nn1CCNS(=O)(=O)c1ccc2ccccc2c1 8954922 YIJUXWDBBGSDHN-UHFFFAOYSA-N 411.508 3.104 0 40 HGAB COc1ccc(Cl)cc1N1C(=O)[C@H]2[C@@H]3CCCN3[C@H](C(=O)c3ccccc3)[C@@H]2C1=O 9450427 DGCKMEPKTUBWJY-QLIIJSOBSA-N 424.884 3.184 0 40 HGAB Cc1ccc(SCCNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cc1 9888969 TYOABCCAIRQFFP-UHFFFAOYSA-N 404.557 3.302 0 40 HGAB CN(C[C@@H]1COc2ccccc2O1)C(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1 10214802 UCOCRBQMHLYPHS-PKOBYXMFSA-N 409.486 3.229 0 40 HGAB CCCNC(=O)COc1c(I)cc(Cl)c2cccnc12 10276306 RKCDRHQUWQXTCJ-UHFFFAOYSA-N 404.635 3.398 0 40 HGAB CCN(CC)CCn1c(NC(=O)CNC(=O)c2ccc(C)c(C)c2)nc2ccccc21 11557584 XNVKUYPQGNIXTA-UHFFFAOYSA-N 421.545 3.363 0 40 HGAB Cc1nc2c(c(C)nn2C)c(C)c1CCC(=O)N[C@H](C)c1ccc(-n2cncn2)cc1 11605594 QZWSDLVQLWCFCO-OAHLLOKOSA-N 417.517 3.284 0 40 HGAB Cn1c(=O)n(C)c2cc(S(=O)(=O)Nc3cc(C(F)(F)F)ccc3Cl)ccc21 11615484 NTDYBSDFVMFJAF-UHFFFAOYSA-N 419.812 3.350 0 40 HGAB COc1ccccc1C1(NC(=O)Cn2ncn3c(cc4ccsc43)c2=O)CCCC1 12146459 VJEODGQFSSEUFO-UHFFFAOYSA-N 422.510 3.305 0 40 HGAB CC[C@@H]1Oc2ccc([C@@H](O)c3ccco3)cc2N(CC(=O)NCc2ccccc2)C1=O 12233495 PQUMFDRRMWJFBX-WMZHIEFXSA-N 420.465 3.182 0 40 HGAB C[C@@H](NC(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1)c1ccc(-n2ccnc2)cc1 12535093 BQFCFTZINNWRMY-WIYYLYMNSA-N 402.498 3.141 0 40 HGAB CN(C)S(=O)(=O)c1cccc(C(=O)Nc2cc(F)ccc2OCC(F)(F)F)c1 12777357 CTBKSPDNEJDLFA-UHFFFAOYSA-N 420.384 3.269 0 40 HGAB Cc1cccc(NC(=O)[C@@H](C)OC(=O)CCC(=O)N2CCC(c3ccccc3)=N2)c1 12811448 IDCGTFOIDJEGDV-QGZVFWFLSA-N 407.470 3.282 0 40 HGAB COc1cccc(N2C[C@@H](C(=O)Nc3ccc(NC(C)=O)c(Cl)c3)CC2=O)c1 12914435 WBMOABJEAIEARL-ZDUSSCGKSA-N 401.850 3.299 0 40 HGAB CCn1c(=O)c(=O)n(CC)c2cc(N3CCCCC3)c(NC(=O)c3ccccc3)cc21 13364629 FYVUWAWAGCJKDW-UHFFFAOYSA-N 420.513 3.446 0 40 HGAB Cn1c(=O)n(C)c2cc(N3CCCCC3)c(NC(=O)Nc3ccc4c(c3)OCO4)cc21 13364866 BFAKPPPGGFBAIE-UHFFFAOYSA-N 423.473 3.240 0 40 HGAB CCOC(=O)c1ccccc1NC(=O)[C@@H](CC)N(c1ccccc1)S(C)(=O)=O 13711085 HGFYLIWTXWPRAI-GOSISDBHSA-N 404.488 3.047 0 40 HGAB O=C(NCc1ccco1)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccccc2F)C1 13856371 NYVGNWZJTLKJPN-HNNXBMFYSA-N 421.428 3.340 0 40 HGAB C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)Nc3ccc(Cl)cc3)c2)C[C@H](C)O1 14429369 ROKJBFOOKGOGCU-KBPBESRZSA-N 408.907 3.390 0 40 HGAB O=C(NCc1ccncc1)c1cc(C2CCN(C(=O)c3ccccc3F)CC2)no1 19347468 HUQXIOHMIUMSEQ-UHFFFAOYSA-N 408.433 3.159 0 40 HGAB NC(=O)[C@]1(Cc2ccc(-c3ccccc3F)cc2)CCCN(C(=O)[C@@H]2CCCO2)C1 19368361 IGNIRTPOCZWKLS-URXFXBBRSA-N 410.489 3.308 0 40 HGAB C[C@@H](CN(C)C(=O)CN1CC[C@@H](c2cc(=O)n3c(n2)CCCCC3)C1)c1ccccc1 19455875 CYTBWQLIRQCWPO-PZJWPPBQSA-N 422.573 3.021 0 40 HGAB CCn1c(CNC(=O)CCn2cnc3sc(C)c(C)c3c2=O)nc2ccccc21 19524349 MHBOXOQQIWDWGR-UHFFFAOYSA-N 409.515 3.151 0 40 HGAB CCNC(=O)[C@]1(Cc2cccc(-c3cccs3)c2)CCN(C(=O)[C@H]2CCCO2)C1 19528865 DCIGSEPPHBJXRF-XXBNENTESA-N 412.555 3.491 0 40 HGAB O=C(CN1CCCN(c2ccccn2)CC1)Nc1ncc(Cc2ccccc2)s1 19657910 RXZFKMMUSNHQFU-UHFFFAOYSA-N 407.543 3.280 0 40 HGAB COc1ccc(N2C[C@H](NC(=O)C3(c4cc(C)cc(C)c4)CCOCC3)CC2=O)cc1 19662081 SLDXRDOYEWOQAK-HXUWFJFHSA-N 422.525 3.282 0 40 HGAB Cc1cnc(NC(=O)CN2CCO[C@@H](c3nccnc3-c3cccc(F)c3)C2)s1 19693226 MRRFGGYAEOSUKV-MRXNPFEDSA-N 413.478 3.060 0 40 HGAB CN(C)c1ncc(-c2cccc(C(N)=O)c2)c([C@@H]2CCN(C(=O)C3CCCCC3)C2)n1 19694705 UIMXDOXHGLZULY-LJQANCHMSA-N 421.545 3.205 0 40 HGAB COc1ccccc1NC(=O)[C@@H]1CN(C(=O)CCc2ccccc2)Cc2cn(C)nc21 19701584 CVTXJHTVQHTQTD-LJQANCHMSA-N 418.497 3.126 0 40 HGAB Cc1cc(C)n2ncc(C(=O)C3CCN(C(=O)c4cc(CC(C)C)nn4C)CC3)c2n1 19717978 CTQACRUJRRZUIH-UHFFFAOYSA-N 422.533 3.013 0 40 HGAB COC(=O)Cc1c(C)c2ccc3c(c2oc1=O)CN(CCc1ccccc1F)CO3 19882486 DTOPANFXNQGZMS-UHFFFAOYSA-N 411.429 3.351 0 40 HGAB COc1cc(/C=C2\S[C@H](N3CCc4ccccc4C3)NC2=O)cc(OC)c1OC 20327982 CJCZQESPTHZJJY-LPRAYXGFSA-N 412.511 3.258 0 40 HGAB COc1ccc(-c2cc(C(=O)NCCCN3CCOCC3)c3ccccc3n2)cc1 20679435 XOUHGHZVBLXUTQ-UHFFFAOYSA-N 405.498 3.363 0 40 HGAB CCOc1ccc(S(=O)(=O)NCCC(=O)N2CCC[C@H]2c2cccs2)cc1 22131701 MVECIWWTIZVUMP-KRWDZBQOSA-N 408.545 3.179 0 40 HGAB COc1cc(C(=O)OCC(=O)NCC2(c3ccccc3)CC2)cc(Cl)c1OC 22169329 YGSNOJYOUZMWMZ-UHFFFAOYSA-N 403.862 3.362 0 40 HGAB CN(Cc1ccccc1)C(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1 22246196 MRTIOBSSTABDNV-JOCHJYFZSA-N 408.523 3.235 0 40 HGAB CCc1nc2sc([C@@H](c3ccc(Cl)cc3)N3CCN(CC)CC3)c(O)n2n1 22578022 KKVMNPBABXWCIA-MRXNPFEDSA-N 405.955 3.439 0 40 HGAB O=C([C@H]1Cc2ccccc2O1)N1CCN(Cc2csc(-c3ccccc3)n2)CC1 22605822 HKOWPOHMRPTMIW-OAQYLSRUSA-N 405.523 3.458 0 40 HGAB CCOC(=O)C1CCN([C@@H](c2ccc(C)cc2)c2sc3nc(C)nn3c2O)CC1 23156853 BHTDGXWXZUQEON-KRWDZBQOSA-N 414.531 3.478 0 40 HGAB CN(C[C@@H]1COc2ccccc2O1)C(=O)CNC(=O)c1ccc(-c2ccccc2)cc1 24662157 AXYYBKYGODKEHB-OAQYLSRUSA-N 416.477 3.382 0 40 HGAB O=S(=O)(NC[C@@H](c1ccccc1Cl)N1CCOCC1)c1ccc(Cl)cc1 24680821 FMRGXUCIDQCNPL-SFHVURJKSA-N 415.342 3.345 0 40 HGAB CN1CCN(C(=O)c2ccc3c(=O)n4c(nc3c2)CCCCC4)[C@@H](c2ccccc2)C1 24838978 DGFUJRHSNXVMCR-JOCHJYFZSA-N 416.525 3.252 0 40 HGAB O=C(/C=C/c1csc(-c2ccc(F)cc2)n1)N1CCN(C(=O)N2CCCC2)CC1 24925024 GQIKMGGMYFNSBN-BQYQJAHWSA-N 414.506 3.322 0 40 HGAB CCNC(=O)NC(=O)[C@@H](C)Sc1nc(N)c(-c2ccc(Cl)cc2)c(CC)n1 24987764 ABHAFZKXXOHTHI-SNVBAGLBSA-N 407.927 3.268 0 40 HGAB COc1cc(NC(=O)c2cccc(Nc3ncccn3)c2)c(C(=O)N(C)C)cc1OC 25221991 LVOYDVIIAVMZAC-UHFFFAOYSA-N 421.457 3.192 0 40 HGAB CCc1sc(C(=O)NCC(=O)NC[C@H](c2ccccc2Cl)N(C)C)cc1C 29504322 ACWVDEWDNZBDAB-MRXNPFEDSA-N 407.967 3.421 0 40 HGAB COc1ccc(NS(=O)(=O)c2ccc(O)c(NC(=O)c3ccc(C)nc3)c2)cc1 29692273 LDMXZIMTCMNPBS-UHFFFAOYSA-N 413.455 3.157 0 40 HGAB COc1ccccc1N1C(SCc2cccc(C)c2)=N[C@H]2CS(=O)(=O)C[C@H]21 32641189 BYVCEZHBDDIXTF-FUHWJXTLSA-N 402.541 3.279 0 40 HGAB COc1cc(NCC(=O)Nc2ccccc2I)cc(OC)c1 32679626 MWJPYJNBQYHQMD-UHFFFAOYSA-N 412.227 3.359 0 40 HGAB COc1ccc(-n2ncc(C(=O)Nc3cccc4cccnc34)c2C(F)(F)F)nn1 32905854 MGCMBKLOCRWHHD-UHFFFAOYSA-N 414.347 3.490 0 40 HGAB CCN1CCN(Cc2ccccc2CNS(=O)(=O)c2c(C)cc(C)cc2C)CC1 32916506 GLYNAEWHFYYAKM-UHFFFAOYSA-N 415.603 3.228 0 40 HGAB CCc1ccc2[nH]c3nc(SCC(=O)NCc4ccccc4OC)nnc3c2c1 35291042 LPBPWSBKUDHROH-UHFFFAOYSA-N 407.499 3.486 0 40 HGAB C[C@H](NC(=O)CNC(=O)Cc1ccccc1)c1cccc(NC(=O)c2ccccc2)c1 36391538 XRZIJEOPKYKILF-SFHVURJKSA-N 415.493 3.475 0 40 HGAB CC[C@H](C)[C@@H](NC(=O)N1CCc2nc[nH]c2[C@@H]1c1cc(Cl)ccc1F)C(=O)OC 36569528 ADRAJSOYDBQBDU-LSKLOWJMSA-N 422.888 3.447 0 40 HGAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2cccc(C(C)=O)c2)cc1C 39986206 VMJINNWIZHPUCN-UHFFFAOYSA-N 418.515 3.246 0 40 HGAB O=C(CCn1nc(-c2cccs2)oc1=O)N1CCC(c2nc3ccccc3[nH]2)CC1 40050901 YLHMLUBXIFNGFO-UHFFFAOYSA-N 423.498 3.237 0 40 HGAB O=C(NCC1CCN(C(=O)COc2ccccc2)CC1)c1ccc(Br)o1 43981310 HWPGUSKVRRHGIT-UHFFFAOYSA-N 421.291 3.090 0 40 HGAB CN(C(=O)CCNC(=O)c1cnc(OCC(F)(F)F)c(Cl)c1)c1ccccc1 48225231 IZNLGJJJJZTMAU-UHFFFAOYSA-N 415.799 3.459 0 40 HGAB O=C(NC1CCN(c2ccc(S(=O)(=O)C(F)F)cc2)CC1)c1ccc(F)cc1 48287932 GBQONJNMTLXOGY-UHFFFAOYSA-N 412.433 3.221 0 40 HGAB Cc1cc2nn(CC(=O)Nc3ccccc3F)c(=O)n2c(Nc2ccc(F)c(C)c2)n1 49410725 XEVCSAPPLHVECF-UHFFFAOYSA-N 424.411 3.168 0 40 HGAB Cc1cc(=O)n(CC(=O)Nc2cccc(C)c2C)c(N2CCc3ccccc3C2)n1 57506617 AVCFCNOUSFCPDU-UHFFFAOYSA-N 402.498 3.370 0 40 HGAB Cc1ccc(-c2noc(-c3cccn(CC(=O)NCCc4ccccc4)c3=O)n2)cc1 57511279 GPZMCWJAXJTQSF-UHFFFAOYSA-N 414.465 3.233 0 40 HGAB C[C@H](Oc1ccc(F)cc1Br)C(=O)NC1CCN(CC(F)F)CC1 58406302 HMWNYTVJAWRRRL-JTQLQIEISA-N 409.246 3.201 0 40 HGAB CSc1cccc(NC(=O)Cn2nc3cc(-c4ccccc4)nc(C)n3c2=O)c1 65196616 QURYKKBWQBNXDD-UHFFFAOYSA-N 405.483 3.227 0 40 HGAB COc1cc(CNC[C@H](O)CN2CCCC2)ccc1OCc1ccc(Cl)cc1 65274863 OILXENZZPBRAOS-FQEVSTJZSA-N 404.938 3.474 0 40 HGAB CCOc1cc(CNC(=O)c2sccc2NC(=O)c2cnccn2)ccc1OC 67335696 GPORRPWULARSET-UHFFFAOYSA-N 412.471 3.128 0 40 HGAB COc1ccc(C2=NN(C(=O)CCC(=O)O)[C@H](c3cccc4nccnc34)C2)cc1 72314719 JQRUIPJZFFHTIS-IBGZPJMESA-N 404.426 3.181 0 40 HGAB Cc1ccnn1C[C@@H](C)C(=O)Nc1ccc(-c2csc(N3CCOCC3)n2)cc1 72391480 XQCWJNSSJCNXGU-OAHLLOKOSA-N 411.531 3.426 0 40 HGAB COc1ccc(OC)c(-c2cc(C(=O)Nc3ccc4c(c3)CCC(=O)N4C)n(C)n2)c1 77200724 RXRQCUNKUJOUET-UHFFFAOYSA-N 420.469 3.266 0 40 HGAB O=S(=O)(NCc1noc(-c2ccc(C(F)(F)F)cn2)n1)c1ccccc1Cl 91694974 SSMYYTFUDHMNOD-UHFFFAOYSA-N 418.784 3.282 0 40 HGAB O=C(NCc1cccs1)[C@H]1CN(C(=O)Cc2cccc(F)c2)CC12CCOCC2 96241135 JFGNRAKKTBCMQC-LJQANCHMSA-N 416.518 3.001 0 40 HGAB Cc1cccc(CNC(=O)C2CCN(S(=O)(=O)Cc3ccccc3C)CC2)c1 113947345 QZUSOXUAVUNDQP-UHFFFAOYSA-N 400.544 3.162 0 40 HGAB CCCOc1ccccc1CCCNC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 219012143 XMYZQQPFNVEQMR-UHFFFAOYSA-N 418.559 3.153 0 40 HGAB Cc1ccc(N([C@@H](C)C(=O)NCCN(C)c2ccccc2)S(C)(=O)=O)cc1Cl 220370145 PDHFYHCODITZLP-INIZCTEOSA-N 423.966 3.056 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N(C)c3ccccc3)C2)cc1Cl 222536534 DTHNWXSLKGAKCT-OAHLLOKOSA-N 422.934 3.412 0 40 HGAB CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(OC)c(OC)c1 222575818 QOXHGMMOLURCAG-HNNXBMFYSA-N 418.921 3.453 0 40 HGAB CCc1ccc(N(CCCC(=O)Nc2cc(OC)ccc2OC)S(C)(=O)=O)cc1 222639867 JVTHJXITIPSYJA-UHFFFAOYSA-N 420.531 3.451 0 40 HGAB COc1ccccc1N(CC(=O)N[C@@H](C)c1cc(C)c(C)cc1C)S(C)(=O)=O 223420851 WDUSBROCBQYWAK-KRWDZBQOSA-N 404.532 3.264 0 40 HGAB COc1ccc(-c2noc(CN(C)S(=O)(=O)c3c(C)cc(OC)cc3C)n2)cc1 224336800 AJIVCKUQMXLADQ-UHFFFAOYSA-N 417.487 3.191 0 40 HGAB CCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(OC)cc1 224555216 DCMIOZQRDQZUAC-OAQYLSRUSA-N 414.502 3.026 0 40 HGAB CCCn1c(=O)sc2cc(S(=O)(=O)NCc3ccc(OCC)cc3)ccc21 225728390 LNWWWLGPMDZWOG-UHFFFAOYSA-N 406.529 3.350 0 40 HGAB CCCn1c(=O)sc2cc(S(=O)(=O)NCCOc3ccc(C)cc3)ccc21 225732199 WDQOKHSDEKSWRD-UHFFFAOYSA-N 406.529 3.139 0 40 HGAB Cc1nc2c(c(N3CCC(NC(=O)Cn4ccc5ccccc54)CC3)n1)CCCC2 225738363 PYFTWIPHBRROLS-UHFFFAOYSA-N 403.530 3.404 0 40 HGAB CS(=O)(=O)N[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)c1ccc(F)cc1 225946169 WYOIVNPDXAKBDS-HNNXBMFYSA-N 404.385 3.464 0 40 HGAB CCNC(=O)Cc1c(C)nc([C@@H]2CCCN(C(=O)CCc3ccccc3)C2)nc1C 257253219 JYAANCRNQUGGJF-HXUWFJFHSA-N 408.546 3.111 0 40 HGAB CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3cccc(C)c3)C2)cc1 260752274 XXLUSOVOSGLKLZ-IBGZPJMESA-N 416.543 3.111 0 40 HGAB Cc1cccc(N([C@H](C)C(=O)Nc2ccc(N3CCCC3)cc2)S(C)(=O)=O)c1 260897408 LSPPHIMCGJOUNO-QGZVFWFLSA-N 401.532 3.388 0 40 HGAB CN1Cc2nnc(-c3ccc(F)cc3)n2C2(CCN(C(=O)c3ccc(F)cc3)CC2)C1 306140013 UHEWCPWRIMFDNQ-UHFFFAOYSA-N 423.467 3.300 0 40 HGAB Cc1cccc(C(=O)N2Cc3cn(C(C)C)nc3C3(CCN(C(=O)N(C)C)CC3)C2)c1 306140251 UOAQRIJKZASVAF-UHFFFAOYSA-N 423.561 3.444 0 40 HGAB COc1cccc(NC(=O)COC(=O)CCCCCN2C(=O)c3ccccc3C2=O)c1 408651933 BUORNECXVRZAKX-UHFFFAOYSA-N 424.453 3.034 0 40 HGAB Cc1ccc(C(=O)O)c(NC(=O)c2ccc(N3C(=O)[C@H]4[C@H]5CC[C@@H](C5)[C@@H]4C3=O)cc2)c1 408667672 CDTBMIZVPZTUTM-SLUIBLPYSA-N 418.449 3.481 0 40 HGAB CCc1ccc(N(CC(=O)NCc2ccccn2)S(=O)(=O)c2ccccc2)cc1 409027844 FRLMHMYIKOQJDE-UHFFFAOYSA-N 409.511 3.156 0 40 HGAB O=S(=O)(NCC[C@@H](CCO)c1ccsc1)c1ccc(Br)s1 575608289 SBCGIOYKYQCLIO-JTQLQIEISA-N 410.380 3.407 0 40 HGAB O=c1ccc(-c2ccncc2)nn1CC1CCN(c2ncnc3cc(F)ccc23)CC1 585503593 UBWYKITWTUSCFV-UHFFFAOYSA-N 416.460 3.304 0 40 HGAB O=S(=O)(Cc1cccc(C(F)(F)F)c1)NCc1nccnc1-c1cccnc1 606440613 HKUFMSNYWSLRHB-UHFFFAOYSA-N 408.405 3.177 0 40 HGAB FC(F)(F)c1cc(N2CCN(c3ncnc4cnccc34)CC2)nc(C2CC2)n1 1888885515 VFRVLHOAKYLMGJ-UHFFFAOYSA-N 401.396 3.038 0 40 HGAB CCOc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccc(C)cc4C)ncn3n2)cc1 21027806 XTXRUPUHJLMHGK-UHFFFAOYSA-N 417.469 3.212 0 40 HGAB O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)[C@H]1COc2ccccc2O1 2657497 UKGFGIRFJBSQHT-GOSISDBHSA-N 408.376 3.321 0 40 HGAB COc1ccccc1NC(=S)N(CCCO)Cc1cc2cccc(C)c2[nH]c1=O 4127170 SSTPVPZGVGENMR-UHFFFAOYSA-N 411.527 3.427 0 40 HGAB Cc1cccc(C(=O)N(Cc2ccc(Br)o2)[C@@H]2CCS(=O)(=O)C2)c1 11914017 UHMXJRWILFVYNP-CQSZACIVSA-N 412.305 3.180 0 40 HGAB CCOc1ccc(N2C[C@@H](C(=O)N[C@@H](CC(=O)OC)c3ccc(C)cc3)CC2=O)cc1 32821065 LICTZCIQWDIRQX-RXVVDRJESA-N 424.497 3.167 0 40 HGAB CC1=C(CC(=O)NCC(=O)O)c2cc(F)ccc2/C1=C/c1ccc([S@](C)=O)cc1 102674486 YHIPTYHDOZQZLO-HTEZSZNVSA-N 413.470 3.482 0 40 HGAB O=C(NCc1ccc2c(c1)OCO2)c1sc(=S)n2c1[nH]c(=O)c1sccc12 2956425 NOZXXQIXWPJPOV-UHFFFAOYSA-N 417.493 3.292 0 40 HGAB COc1ccccc1NC(=O)c1cnn2c1NC(C(=O)O)=C[C@H]2c1ccc(C)cc1 102820875 RDQZBRACMWTXFX-SFHVURJKSA-N 404.426 3.436 0 40 HGAB O=C(C[C@H]1C(=O)N(C[C@@H]2CCCO2)c2nc3ccccc3n21)Nc1cccc(F)c1 23382156 YUBFEJKUTKNPGE-LPHOPBHVSA-N 408.433 3.271 0 40 HGAB Cc1ccccc1CN1CCN(C(=O)[C@@H](NC(=O)Cc2ccccc2)C(C)C)CC1 23638344 XTXPSGCGRZSKCJ-DEOSSOPVSA-N 407.558 3.023 0 40 HGAB COc1ccccc1[C@@H](Nc1ccc2nnc(C(F)(F)F)n2n1)c1nccn1C 24893861 SUJXMLADSHUEPP-OAHLLOKOSA-N 403.368 3.087 0 40 HGAB O=C1CCCN1Cc1nnc(Sc2nc(-c3ccncc3)nc3ccccc23)o1 25055383 LAGKMXGITYRRPL-UHFFFAOYSA-N 404.455 3.348 0 40 HGAB O=C(Nc1ccc(N2CCCCC2)nc1)c1c[nH]nc1-c1ccc2c(c1)OCCO2 25065087 XIJOANXDNJUPBF-UHFFFAOYSA-N 405.458 3.486 0 40 HGAB O=C(Nc1ccccc1)Nc1ccc(C(=O)N2CCN(c3cnccn3)CC2)cc1 25343045 IBBWVIPLORBXPC-UHFFFAOYSA-N 402.458 3.083 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)OCc1csc(C)n1 12689978 ZYJZPNNRWCJVFW-UHFFFAOYSA-N 424.544 3.382 0 40 HGAB COc1ccc(OC)c([C@H](O)C[C@@H]2c3c(cc4c(c3OC)OCO4)CCN2C)c1 12660494 GREBKDKZYPDUEK-IAGOWNOFSA-N 401.459 3.094 0 40 HGAB biogenic CC(=O)c1cc2c(cc1NC(=O)Cn1nc(-c3ccc(C)c(C)c3)ccc1=O)OCO2 57427558 DIJXCKKKXVBOCG-UHFFFAOYSA-N 419.437 3.097 0 40 HGAB O=C1[C@H]2[C@H](C(=O)N1c1ccc(Cl)c(F)c1)N1CCCN1[C@H]2c1ccc(F)cc1 102697613 WNFVFUSZNAITIF-FGTMMUONSA-N 403.816 3.154 0 40 HGAB CCCc1cc(=O)oc2c(C)c(OCC(=O)N[C@H](C(=O)O)c3ccccc3)ccc12 2095978 PBKLZGWBZVBQNV-NRFANRHFSA-N 409.438 3.375 0 40 HGAB biogenic CC(=O)N1N=C(c2ccc(NS(C)(=O)=O)cc2)C[C@H]1c1ccc2ncccc2c1 58161649 DXBLMVGPLPHUAZ-NRFANRHFSA-N 408.483 3.304 0 40 HGAB O=c1c2cnn(-c3ccccc3)c2ncn1Cc1nc(-c2ccc(Cl)cc2)no1 8394533 AFLHHCNGYXEILC-UHFFFAOYSA-N 404.817 3.334 0 40 HGAB O=c1/c(=C/C=C/c2ccccc2)sc2n1CN(c1cccc(C(F)(F)F)c1)CN=2 2246596 UFJXJVICUMBGDU-KGTQDBRDSA-N 415.440 3.477 0 40 HGAB CCOc1ccc(N2C(=O)C[C@H](NNc3c(F)c(F)c(F)c(F)c3F)C2=O)cc1 2224113 KIMSTBZFQYLKEN-JTQLQIEISA-N 415.318 3.029 0 40 HGAB Cc1cc(S(=O)(=O)N2CCCCC2)ccc1OCC(=O)N[C@@H](C)c1ccccc1 408562894 SEEIGHHBNTUGSU-SFHVURJKSA-N 416.543 3.426 0 40 HGAB CC[C@@H](C)NC(=O)c1c(N)n(-c2ccc3c(c2)OCO3)c2nc3ccccc3nc12 2382383 QKBXINTZHXKTBU-GFCCVEGCSA-N 403.442 3.413 0 40 HGAB Cn1nc(C(=O)OCC(=O)Nc2ccc(SC(F)F)cc2)c2ccccc2c1=O 3431197 CHBPHUNFDRAPRY-UHFFFAOYSA-N 419.409 3.044 0 40 HGAB CCCCc1ccc(-n2nnnc2SCC(=O)Nc2ccc3c(c2)OCO3)cc1 3416483 ZVYLKFIPPWASPE-UHFFFAOYSA-N 411.487 3.464 0 40 HGAB COc1ccc2c(CC(=O)OCC(=O)N3c4ccccc4NC(=O)C3(C)C)coc2c1 3433286 HLSWEKLJEIRZJM-UHFFFAOYSA-N 422.437 3.291 0 40 HGAB COc1ccc(-c2nnc(SCC(=O)NC(=O)NCC(C)C)n2C(C)C)cc1 3481762 XENGVBADOYWYTA-UHFFFAOYSA-N 405.524 3.109 0 40 HGAB Cc1nn(-c2ccccc2)c(C)c1CN(C)S(=O)(=O)c1ccsc1C(=O)O 12997290 UKPPKMAZTWVXCS-UHFFFAOYSA-N 405.501 3.070 0 40 HGAB COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)N2CCN(C)CC2)cc1Cl 25854917 RVJMLFZTSUXYKM-UHFFFAOYSA-N 411.889 3.225 0 40 HGAB C[C@H](NC(=O)c1cccc(S(=O)(=O)NC2CC2)c1)c1ccccc1Br 12989324 PQAMOKIOCSJGRL-LBPRGKRZSA-N 423.332 3.381 0 40 HGAB C[C@H]1CCc2[nH]c3ccc(C(=O)OCC(=O)Nc4sccc4C(N)=O)cc3c2C1 12909503 XYUSNJXLACIMCC-NSHDSACASA-N 411.483 3.249 0 40 HGAB O=C(CNC(=O)c1cccc(CN2CCCC2=O)c1)Nc1cc(Cl)ccc1Cl 12938879 JLIVAPXXIOJNSV-UHFFFAOYSA-N 420.296 3.484 0 40 HGAB CN(Cc1ccccc1Br)C(=O)Cn1nc(-c2ccc(F)cc2)oc1=O 13001945 NMSXUQPHOBSHQQ-UHFFFAOYSA-N 420.238 3.064 0 40 HGAB C[C@H](C(=O)N1c2ccccc2C[C@H]1C)N1C(=O)N[C@](C)(c2ccc3c(c2)CCC3)C1=O 8428845 KXLDGFJIPBETNP-WHEFHEQHSA-N 417.509 3.309 0 40 HGAB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(N2CCC(c3ccccc3)=N2)cc1 6053272 GRSGTNWEWNBDKV-OAQYLSRUSA-N 404.470 3.492 0 40 HGAB CCOCCCNC(=O)c1c(N)n(-c2cccc(OC)c2)c2nc3ccccc3nc12 5033159 PQNSPIVFRMKMQK-UHFFFAOYSA-N 419.485 3.321 0 40 HGAB O=C(COC(=O)c1cc2c(s1)-c1ccccc1OC2)NC(=O)NCc1ccco1 5304777 KYGYGJPIJFLAFA-UHFFFAOYSA-N 412.423 3.083 0 40 HGAB Cc1nn(C)c(C)c1S(=O)(=O)NCc1cn(-c2ccccc2)nc1-c1ccccc1 14226282 AQILSAPDMYKQAI-UHFFFAOYSA-N 421.526 3.368 0 40 HGAB CCCCn1c(SCC(=O)NC(=O)NC2CCCC2)nc2ccccc2c1=O 6559080 NGKIERKRZVQGIP-UHFFFAOYSA-N 402.520 3.057 0 40 HGAB COc1ccc(CC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2OC)cc1 5558970 YSCOVHVVIUHEDZ-UHFFFAOYSA-N 418.515 3.060 0 40 HGAB COc1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cc(C)ccc3OC)C2)c1 409388813 FJNYBBPCHXYATG-MRXNPFEDSA-N 418.515 3.052 0 40 HGAB CC[C@H](NC(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O)c1ccc(C)cc1C 22332777 SHDUNGBFELPPND-FQEVSTJZSA-N 404.532 3.346 0 40 HGAB CCOc1cc2c(cc1CNC(=O)CSc1nnc3n1CCCCC3)O[C@@H](C)C2 7281036 REHDKFPWOYWFEP-AWEZNQCLSA-N 416.547 3.135 0 40 HGAB CCOc1cc(C(=O)OCc2cc(=O)n3cc(C)ccc3n2)ccc1OC(F)F 7508068 CQXLJYQKVDDDPN-UHFFFAOYSA-N 404.369 3.360 0 40 HGAB COc1cc(OC)c(N2C[C@H](C(=O)NCCc3ccc(F)cc3)CC2=O)cc1Cl 8274986 BKXYPDFUKYYSCH-CQSZACIVSA-N 420.868 3.208 0 40 HGAB CN1CCN(C(=O)c2cccn2C)C[C@@H]1c1nnn2cc(-c3cccc(F)c3)ccc12 306130416 JFUDZINYYOHNSV-OAQYLSRUSA-N 418.476 3.003 0 40 HGAB CC(=O)N[C@H](CC(=O)Nc1ccc2nc(N3CCOCC3)sc2c1)c1ccccc1 9816650 DPRQFNDXINQSLA-LJQANCHMSA-N 424.526 3.339 0 40 HGAB CCNC(=O)NC(=O)[C@H](C)OC(=O)c1ccccc1CSc1nc(C)cs1 9622977 UWZQMLPSQXUXNH-LBPRGKRZSA-N 407.517 3.135 0 40 HGAB CC(C)Cc1nnc(NC(=O)c2ccc(Cn3nnc4ccccc4c3=O)cc2)s1 72405873 FOSGVZQWJNWGII-UHFFFAOYSA-N 420.498 3.142 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN(C)C1CCCCC1 89644372 NOAGDOSHXCECPG-UHFFFAOYSA-N 407.580 3.373 0 40 HGAB O=C(C1=Cc2cc(F)ccc2OC1)N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 89768488 HCEOYCMVUJFMDW-UHFFFAOYSA-N 418.827 3.379 0 40 HGAB Brc1cc(NCc2nccn2-c2ccccc2)cnc1N1CCOCC1 546665188 LHVHKOPJMXMPQG-UHFFFAOYSA-N 414.307 3.479 0 40 HGAB CCOc1cc(-c2n[nH]c(=S)n2CCCN2CCOCC2)ccc1OC(F)F 33580316 PSAISKINQCBEHB-UHFFFAOYSA-N 414.478 3.330 0 40 HGAB COc1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3cccc(C)c3)[C@@H]2c2ccccc2)cc1 409059432 NFZLFGAHROXXHS-AYHYUOJHSA-O 414.485 3.020 0 40 HGAB C[C@H](CNC(=O)C(C)(C)c1ccc2c(c1)OCCO2)N1CCc2sccc2C1 501845542 KTUJIFUZRSOKRM-OAHLLOKOSA-N 400.544 3.360 0 40 HGAB O=C(Cn1cnc2c(oc3ccccc32)c1=O)NC[C@H](c1ccccc1)N1CCCC1 32217652 KYNBRFQEHHOEKQ-LJQANCHMSA-N 416.481 3.096 0 40 HGAB NC(=O)C[C@@H](NC(=O)c1cnn(-c2ccccc2F)c1-n1cccc1)c1ccccc1 512310768 ZHERUHHMFAENSO-LJQANCHMSA-N 417.444 3.149 0 40 HGAB COc1cc(/C=C2/SC(=S)N([C@@H](CC(C)C)C(=O)O)C2=O)cc(OC)c1O 35040752 JCQVTBHMRBEVMZ-KYJZABPNSA-N 411.501 3.110 0 40 HGAB COc1ccccc1OCC(=O)N1N=C(c2ccc(C)cc2)C[C@]1(O)C(F)(F)F 32101124 YWAKQQCEFIKQLJ-IBGZPJMESA-N 408.376 3.270 0 40 HGAB NC(=O)C1CCN(Cc2cccc(NC(=O)CCc3c[nH]c4ccccc34)c2)CC1 48375389 WQOSBJBQIUKLKC-UHFFFAOYSA-N 404.514 3.437 0 40 HGAB CCN1CCN(S(=O)(=O)c2cc(Br)c3cccc4c3c2CC4)CC1 41105693 IAALWFJPEMIRBZ-UHFFFAOYSA-N 409.349 3.027 0 40 HGAB Cc1ccc(C)c([C@H](C)NC(=O)CCCN2C(=O)c3ccccc3S2(=O)=O)c1 219441132 VCXMLNFGGVTZRJ-INIZCTEOSA-N 400.500 3.106 0 40 HGAB CCOC(=O)[C@]1(CN)[C@H](c2ccc(CC)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218639243 DJLLEEVARYHFGM-SVFBPWRDSA-N 421.946 3.350 0 40 HGAB COc1ccccc1Cn1ccc2nc3ncnn3c(-c3ccccc3OC)c2c1=O 40398191 OOBZQSIVVAJWRG-UHFFFAOYSA-N 413.437 3.172 0 40 HGAB CC[C@@H](NC(=O)CN(c1ccc(F)cc1F)S(C)(=O)=O)c1ccc(OC)cc1 220095745 MLTQGHYVOVXSQS-QGZVFWFLSA-N 412.458 3.007 0 40 HGAB Cc1ccc(C(=O)NC[C@H]2CCCO2)cc1NS(=O)(=O)c1ccc(Cl)cc1 224051277 NFEJUDQDYWYXFR-MRXNPFEDSA-N 408.907 3.358 0 40 HGAB CCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(OC)c(OC)c1 223825593 GEIOEMUFKADONT-INIZCTEOSA-N 416.493 3.329 0 40 HGAB Cc1cc(S(=O)(=O)Nc2cccc(N3CCCC3=O)c2)ccc1N1CCCC1=O 223790009 OIOBTRHAKDVEDC-UHFFFAOYSA-N 413.499 3.049 0 40 HGAB CSc1nnc(NS(=O)(=O)c2ccc3c(c2)sc(=O)n3C(C)C)s1 225720186 NDDSGKDULFFMQG-UHFFFAOYSA-N 402.548 3.018 0 40 HGAB O=C(COc1ccc2c(c1)CCCC2)N1CCN(Cc2ccc3c(c2)OCO3)CC1 224991313 URLWWKCGBWACFU-UHFFFAOYSA-N 408.498 3.017 0 40 HGAB CCC(=O)Nc1nnc(S(=O)(=O)Nc2ccccc2Oc2ccccc2)s1 225730473 FSJSKFUAKUMAGO-UHFFFAOYSA-N 404.473 3.480 0 40 HGAB S=C(Nc1nc(N2CCCCC2)cc(N2CCOCC2)n1)NC1CCCCCC1 226009912 STUBGULQVUUPOC-UHFFFAOYSA-N 418.611 3.313 0 40 HGAB Cc1ccc(OCCNC(=O)CN(c2ccc(C)c(Cl)c2)S(C)(=O)=O)cc1C 223684282 WDNOHUIQOJEKII-UHFFFAOYSA-N 424.950 3.226 0 40 HGAB COC(=O)c1ccc(NC(=O)CCNC(=O)c2ccc3sc(Cl)nc3c2)cc1 225979335 HFFDVAWZZBVZGT-UHFFFAOYSA-N 417.874 3.495 0 40 HGAB COc1ccc(-c2nn([C@@H](C)C(=O)NCc3cccc(C)c3)c(=O)cc2OC)cc1 96101201 IVAPXINTQQKETH-INIZCTEOSA-N 407.470 3.113 0 40 HGAB C[C@H]1CN(C)CC[C@H]1CCc1ccc(NC(=O)Cc2ccc(-n3cnnn3)cc2)cc1 248150541 TWMURSCRWCSUNG-GHTZIAJQSA-N 418.545 3.364 0 40 HGAB COc1cc([C@H]2OCC[C@@]34C[C@@H](C[C@H]23)C(C)(C)[C@@H]4NC(C)=O)ccc1OCCO 257334560 YGLGZSWQYFAUBT-ABZCRWFKSA-N 403.519 3.085 0 40 HGAB O=c1c(=Cc2cccc(F)c2)sc2nc(-c3ccccc3Br)nn12 254872954 DDBIPLDADGGBLG-UHFFFAOYSA-N 402.248 3.267 0 40 HGAB O=C(c1cc(O)nc(O)n1)N1CCC[C@H](c2ncc(Cc3cccc(Cl)c3)o2)C1 257269697 MQZJCRKXNDQKRD-ZDUSSCGKSA-N 414.849 3.140 0 40 HGAB Cc1ccc(-c2coc3cc(O[C@@H](C)C(=O)O)cc(O[C@@H](C)C(=O)O)c3c2=O)cc1 263583511 FFJMMBJPBRMULW-STQMWFEESA-N 412.394 3.472 0 40 HGAB CCOc1ccc2nc(NC(=O)c3coc(NC(=O)c4cc(C)on4)n3)sc2c1 90583044 BVHFXXMAMVXDRP-UHFFFAOYSA-N 413.415 3.484 0 40 HGAB CCNC(=O)C[C@H]1CC2(CCN(C(=O)CCc3cncnc3)CC2)c2cc(F)ccc21 585105652 WXYPBIHJTWYLDS-SFHVURJKSA-N 424.520 3.122 0 40 HGAB COc1ccc([C@@H]2CN(S(=O)(=O)c3ccc(F)cc3)C[C@H]2c2cc[nH]n2)cc1 12128800 GOXYZAVLKIPJKH-RBUKOAKNSA-N 401.463 3.129 0 40 HGAB COc1ccc(S(=O)(=O)CC(=O)N2CCC[C@@H](c3cc4ccccc4cn3)C2)cc1 12188260 SAWGFFBBMPEBHD-LJQANCHMSA-N 424.522 3.423 0 40 HGAB COc1ccc(N(C)S(C)(=O)=O)cc1C(=O)Nc1cccc(Br)c1 13582850 KPFLTMGMEUBOOK-UHFFFAOYSA-N 413.293 3.106 0 40 HGAB CC(=O)Nc1ccc(CN2CCC[C@H](C3=NS(=O)(=O)c4ccccc4N3)C2)cc1 19022464 KJBKFLKPBCQLJP-KRWDZBQOSA-N 412.515 3.070 0 40 HGAB O=c1ccc(-c2cccs2)nn1CC1(O)C[C@@H]2CCC[C@H](C1)N2Cc1cccnc1 19338766 FNEZUJADYXQCOS-LIMIJEPZSA-N 422.554 3.315 0 40 HGAB Cc1c(C(=O)N2CCC(c3nc(NC4CC4)ncc3-c3ccccn3)CC2)cnn1C 19553202 UNVFABDOHFMIBH-UHFFFAOYSA-N 417.517 3.175 0 40 HGAB CCOC(=O)Cn1cc(/C=C(\Sc2nnc(CC)[nH]2)C(=O)O)c2ccccc21 7342573 TUUNBSHCBZRRMX-DHDCSXOGSA-N 400.460 3.103 0 40 HGAB Cc1ccc2c(c1)C(=O)N(CC(=O)N(C)C1CCCCC1)CC1(CCN(C)CC1)O2 19218463 HHRPFKUXMDSWBS-UHFFFAOYSA-N 413.562 3.085 0 40 HGAB CC(C)(C)c1cn2nc(OCC3CCN(C(=O)c4cncc(F)c4)CC3)ccc2n1 1888888149 FNFHKWDRJHSPFK-UHFFFAOYSA-N 411.481 3.492 0 40 HGAB C[C@H]1CCCN(Cc2csc(NC(=O)c3cccc(CS(C)(=O)=O)c3)n2)C1 28684214 YMOXHEYMGMCLNU-AWEZNQCLSA-N 407.561 3.172 0 40 HGAB C[C@H](Oc1cccc(Cl)c1Cl)C(=O)NCc1ccnc(N2CCOCC2)c1 32638189 HDSZUOKBLLPHGT-ZDUSSCGKSA-N 410.301 3.309 0 40 HGAB COC(=O)/C(=C/Nc1ccc2c(c1)OCCO2)S(=O)(=O)c1ccc(Cl)cc1 100025841 GUVSBMPMYMDMEC-BOPFTXTBSA-N 409.847 3.011 0 40 HGAB CC[C@@H](C)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1cccc(Br)c1 727041 HIRXESUBTAROCZ-SNVBAGLBSA-N 423.336 3.125 0 40 HGAB COC(=O)c1ccc(NC(=O)CCCn2nc(-c3cccc(OC)c3)ccc2=O)cc1 11693325 VBMRBMXDXYDYGY-UHFFFAOYSA-N 421.453 3.124 0 40 HGAB COc1cc(NC(=O)c2cc(=O)c(OCc3ccccc3)co2)cc(OC)c1OC 11856614 WATZACZYFCCBOG-UHFFFAOYSA-N 411.410 3.497 0 40 HGAB COCC(=O)N1CCCc2ccc(NS(=O)(=O)c3ccc(OC)c(Cl)c3)cc21 21756891 LSHXMEYSXGUIBG-UHFFFAOYSA-N 424.906 3.075 0 40 HGAB CC(C)N(C(=O)Cn1nc(C2CC2)c2cnn(-c3ccc(F)cc3)c2c1=O)C(C)C 22768081 KPTIVJPDTLQHNU-UHFFFAOYSA-N 411.481 3.244 0 40 HGAB CC(C)(C)c1cc(C(=O)N2CCC(n3nc(-c4ccccc4)ccc3=O)CC2)[nH]n1 1775971804 VINDULSMILBKPU-UHFFFAOYSA-N 405.502 3.408 0 40 HGAB O=C(NCCn1nc(-c2ccco2)n(C2CC2)c1=O)C1(c2cccs2)CCCC1 211075427 IXFJMHKUKNFISB-UHFFFAOYSA-N 412.515 3.329 0 40 HGAB CCCS(=O)(=O)N1CCC[C@H](C(=O)Nc2cccc(OCc3ccccn3)c2)C1 40133704 BOSYSLOZAKUCKP-KRWDZBQOSA-N 417.531 3.051 0 40 HGAB Cc1nn(C[C@H](O)c2ccc(F)cc2)c(C)c1S(=O)(=O)N1CCc2ccccc21 31561153 KTCWCVSLCATFOE-FQEVSTJZSA-N 415.490 3.124 0 40 HGAB COc1cccc(CN(C)C(=O)c2cn(-c3cccc(Br)c3)nn2)c1 46141703 URGOCQPVJNRETQ-UHFFFAOYSA-N 401.264 3.311 0 40 HGAB CCn1c(CN(C)C(=O)[C@H]2CC(=O)N(c3cc(C)ccc3OC)C2)nc2ccccc21 60163372 YYOMKJOSFSFJCP-KRWDZBQOSA-N 420.513 3.385 0 40 HGAB COc1ccc(-c2noc([C@@H]3CCCN(S(=O)(=O)c4ccc(F)cc4)C3)n2)cc1 1362641 JHWRJVKBPYTXCI-OAHLLOKOSA-N 417.462 3.453 0 40 HGAB COc1ccc(C(C)=O)cc1CC(=O)N(Cc1nc2ccccc2c(=O)[nH]1)C(C)C 32674716 BWSYUCYMIVBRRQ-UHFFFAOYSA-N 407.470 3.114 0 40 HGAB C[C@@H](CNC(=O)COCc1nc2ccccc2s1)N1CCN(c2ccccc2)CC1 32724274 QFSUONFGNATXJF-SFHVURJKSA-N 424.570 3.140 0 40 HGAB Cc1c(CN(C)C(=O)[C@H](C)n2nc(C(F)F)c(Br)c2C)cnn1C 2778290 WBEXFXGSYBGDKO-JTQLQIEISA-N 404.259 3.153 0 40 HGAB CSc1ccc(-c2ccc3n(c2=O)C[C@H]2C[C@@H]3CN(C(=O)c3cnccn3)C2)cc1 4237198 IGNMJNNSMYZOFK-DOTOQJQBSA-N 418.522 3.287 0 40 HGAB biogenic,in-vitro CCOCCCNC(=O)Cn1c(C(=O)OCC)cc2c1ccn2-c1ccc(F)cc1 4931616 HIHLNFRLXVXOQJ-UHFFFAOYSA-N 415.465 3.291 0 40 HGAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)CSc1ncnc2sc(C)c(C)c12 2641269 OICCSEMHRYIWHG-OAHLLOKOSA-N 415.540 3.301 0 40 HGAB COc1ccc(NC(=O)[C@@H](C)N(c2cc(C)ccc2C)S(C)(=O)=O)cc1OC 10329230 AJFKQMINURPBFA-OAHLLOKOSA-N 406.504 3.114 0 40 HGAB COc1ccccc1CNC(=O)CCCN(c1ccc(C)c(C)c1)S(C)(=O)=O 10335439 GMZAOAGBEMBVHZ-UHFFFAOYSA-N 404.532 3.175 0 40 HGAB COc1ccc(N([C@H](C)C(=O)NCCSC(C)(C)C)S(C)(=O)=O)cc1Cl 10371645 XGZOTCADJXDTJM-GFCCVEGCSA-N 423.000 3.151 0 40 HGAB COc1ccc(C)cc1N(CC(=O)Nc1ccc(C(F)(F)F)cc1)S(C)(=O)=O 8369864 IVXBANSIAJDBCS-UHFFFAOYSA-N 416.421 3.427 0 40 HGAB Cc1cc(C)cc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)c1 8479951 JXQUVHBCYJZIOI-KRWDZBQOSA-N 402.516 3.494 0 40 HGAB CCN(c1ccccc1)S(=O)(=O)c1ccc(Sc2nnc3ccccn23)nc1 8193134 AJRMLYRDCOWIIL-UHFFFAOYSA-N 411.512 3.491 0 40 HGAB COCCNc1nnc(S[C@H](C)C(=O)Nc2ccc(Br)cc2)s1 22219219 XHCOZZUVOFUZEU-SECBINFHSA-N 417.354 3.478 0 40 HGAB CC(=O)Oc1ccc(C(=O)Nc2cccc(S(=O)(=O)N3CCCCCC3)c2)cc1 23110740 GGOGIAGAKIQKQJ-UHFFFAOYSA-N 416.499 3.429 0 40 HGAB Clc1ccc(-c2nnn(CN3CCN(Cc4cccc5cccnc45)CC3)n2)cc1 23251577 MXSLHTQJHWLMBR-UHFFFAOYSA-N 419.920 3.317 0 40 HGAB CC(=O)c1ccc(N2CCN(C[C@@H](O)CO[C@H]3CCCc4ccccc43)CC2)cc1 23409377 OGWTUTVQGZESEI-NOZRDPDXSA-N 408.542 3.466 0 40 HGAB Cc1ccc(NC(=O)CSc2nc3c(=O)[nH]cnc3n2-c2ccccc2)cc1F 12462335 UUSJKWIDWZVZJA-UHFFFAOYSA-N 409.446 3.287 0 40 HGAB biogenic,in-vitro CN1C(=O)[C@@]2(c3ccccc31)c1c(oc3ccccc3c1=O)C(=O)N2Cc1ccco1 16742177 CTZWYCCDCNVMDW-XMMPIXPASA-N 412.401 3.262 0 40 HGAB Cc1ccc([C@H](CNc2ncnc3c2cnn3-c2ccccc2)N2CCOCC2)o1 24528646 PPHMTXFMIKBHJX-IBGZPJMESA-N 404.474 3.202 0 40 HGAB O=C(CN1CCN(c2nn3cc(-c4ccccc4)nc3s2)CC1)Nc1ccccc1 12535853 JQCHMOHKURQNGA-UHFFFAOYSA-N 418.526 3.219 0 40 HGAB CCOc1ccc2nc(NS(=O)(=O)c3cc(C(=O)O)ccc3OC)sc2c1 34864610 QZNCKMCKDKZJLA-UHFFFAOYSA-N 408.457 3.203 0 40 HGAB C[C@@H]1CN([C@H](CNC(=O)c2ccc3c(c2)OCO3)c2c(F)cccc2Cl)CCO1 109033758 UGCWVCYETOGIGV-CXAGYDPISA-N 420.868 3.400 0 40 HGAB COCCN(CCOC)C(=O)c1oc2ccccc2c1CSc1ncccn1 58026929 FFTQWRPWLGSBAY-UHFFFAOYSA-N 401.488 3.250 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC[C@@H](CNC(=O)Nc3ccc(C)cc3)C2)cc1 58249776 WZXZPXITKKSBLD-KRWDZBQOSA-N 417.531 3.226 0 40 HGAB COc1ccc2c(C)c(CCC(=O)Nc3cccc(C(=O)N(C)C)c3)c(=O)oc2c1 21138278 TZTPURWVFVKZMB-UHFFFAOYSA-N 408.454 3.383 0 40 HGAB Cc1ccc(NC(=O)Cc2cccc(C(F)(F)F)c2)cc1S(=O)(=O)N(C)C 12680919 NPOFIEVNVGUEBS-UHFFFAOYSA-N 400.422 3.445 0 40 HGAB CCOc1ccc(NC(=O)C[C@H]2C(=O)N(C)C(=S)N2CCc2ccccc2)cc1 2225667 YRGZQUMHGVEJKQ-IBGZPJMESA-N 411.527 3.084 0 40 HGAB Cc1cccn2cc(COc3cccc(C(=O)N[C@@H](C(N)=O)c4ccccc4)c3)nc12 10895264 LNEAABRSCBJODX-OAQYLSRUSA-N 414.465 3.178 0 40 HGAB Cc1ccc(C)c(-n2nnnc2S[C@@H](C)C(=O)Nc2ccc3c(c2)OCCO3)c1 3445471 YDNPUIJDRZMUOM-AWEZNQCLSA-N 411.487 3.170 0 40 HGAB Cc1ccccc1SCC(=O)O[C@@H](C)C(=O)Nc1ccc(N2CCOCC2)cc1 4246933 YWJWBAALGKURCI-KRWDZBQOSA-N 414.527 3.494 0 40 HGAB COCCNS(=O)(=O)c1ccc(OCC(=O)Nc2c(C)cccc2C(C)C)cc1 408595280 URULPLKHCFPHQT-UHFFFAOYSA-N 420.531 3.061 0 40 HGAB CN(C)C(=O)[C@@H](Sc1ccc(S(=O)(=O)N2CCCCC2)cn1)c1ccccc1 5278870 QKDXAYBMQGXDIN-IBGZPJMESA-N 419.572 3.178 0 40 HGAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccc(F)c(F)c2F)cc1C 20016356 QUJCFHWTGIZSPW-NSHDSACASA-N 416.421 3.117 0 40 HGAB O=C(Nc1ccc(-c2csnn2)cc1)c1ccc(S(=O)(=O)N2CCCCC2)o1 69950359 DNMNYYHBOFFCEX-UHFFFAOYSA-N 418.500 3.225 0 40 HGAB O=C(c1cccc(Cl)c1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 6646765 REFFXRPFAUYWEJ-UHFFFAOYSA-N 405.328 3.202 0 40 HGAB COc1cc(NC(=O)[C@H]2CCCN2C(=O)C2CCC(C)CC2)cc(OC)c1OC 4872755 DVIIFMCOXTZHTI-VMBOVVBDSA-N 404.507 3.468 0 40 HGAB COc1cccc([C@@H]2C(C(=O)Nc3ccc(C)cc3C)=C(C)Nc3nnnn32)c1OC 6817637 ZXCXPXGJFKRAFY-LJQANCHMSA-N 420.473 3.235 0 40 HGAB CCOc1ccccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2cccc(C)c2C)C1 4942455 XSTNZQCOLILKLX-QGZVFWFLSA-N 410.470 3.237 0 40 HGAB CCOC(=O)c1sc(NC(=O)[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)nc1C 4998950 SKLNXJZZFAYPCW-AWEZNQCLSA-N 401.488 3.237 0 40 HGAB Cc1cccc2c(=O)n(CCCC(=O)Nc3cccc(C(=O)NC4CC4)c3)cnc12 8748222 JOECVPMDBDCHSP-UHFFFAOYSA-N 404.470 3.016 0 40 HGAB CSCC[C@H](NC(=O)c1ccccc1C)C(=O)N1CCN(c2ccccc2)CC1 5931206 NYIAZHRLNQBRGS-NRFANRHFSA-N 411.571 3.195 0 40 HGAB CC(=O)c1cccc(NC(=O)CN2C[C@H](C(=O)N3CCCCC3)Oc3ccccc32)c1 7251677 WLDTZEHMYYRHKM-JOCHJYFZSA-N 421.497 3.108 0 40 HGAB COc1cccc([C@H]2C[C@@H](c3cccc(OC)c3OC(F)F)n3nnnc3N2)c1 15866242 KNOJHFWORTZYPQ-CABCVRRESA-N 403.389 3.438 0 40 HGAB C[C@H](NC(=O)COc1ccccc1Cc1ccccc1)c1ccc(S(N)(=O)=O)cc1 16045423 LPUKZVCDRPDGLR-KRWDZBQOSA-N 424.522 3.181 0 40 HGAB CCOc1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)c1 65088545 XLTIMGPPCLZEJM-QGZVFWFLSA-N 402.516 3.433 0 40 HGAB CCN1CCC(NC(=O)c2ccc(NS(=O)(=O)c3cc(C)ccc3C)cc2)CC1 7776956 SPESQIKWYYEEEB-UHFFFAOYSA-N 415.559 3.318 0 40 HGAB COc1ccc(CCSC2=N[C@@H]3CS(=O)(=O)C[C@H]3N2c2ccccc2)cc1 8993329 UENKWNXPZXIUGT-RTBURBONSA-N 402.541 3.013 0 40 HGAB CCNC(=O)Nc1c[nH]nc1[C@H]1CCCN(Cc2cn3cc(Cl)ccc3n2)C1 96000043 JULYCIWSKTZXHV-ZDUSSCGKSA-N 401.902 3.232 0 40 HGAB O=C(CCCOC(=O)c1cccc(-n2cnnn2)c1)c1ccc(Br)cc1 9884633 MDEYXDQKVQEYFN-UHFFFAOYSA-N 415.247 3.245 0 40 HGAB COc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC(=O)Cc1n[nH]c(=O)c2ccccc12 96223712 AZXKBSFTAPKWOB-LJQANCHMSA-N 402.454 3.149 0 40 HGAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccc(C)cc3)C2)cc1 408558269 QAXJNYAFYAQIGC-LJQANCHMSA-N 416.543 3.111 0 40 HGAB C[C@@H]1[C@H](c2ccc(Br)cc2)OCCN1C(=O)CNC(=O)C1CCCC1 95441527 IEKVMEXETGENCM-FZKQIMNGSA-N 409.324 3.044 0 40 HGAB CCC(CC)[C@H](O)CNC(=O)CC[C@@H](CC(C)C)C(=O)NC[C@H](O)C(CC)CC 79104667 PPVAOFNKWFBDOU-HBMCJLEFSA-N 414.631 3.256 0 40 HGAB CC(C)(C)OC(=O)Nc1cccc(COc2ccc(CC(=O)NCCO)cc2)c1 89694243 SQGHJICJSONSAB-UHFFFAOYSA-N 400.475 3.264 0 40 HGAB O=C1CC[C@@]2(c3ccccc3)CCN(S(=O)(=O)C3CC3)[C@H]2CN1C1CCCC1 306134459 NOFLISKGTOLRSA-UNMCSNQZSA-N 402.560 3.056 0 40 HGAB CC(C)c1ccccc1O[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 20039007 AXOKEOMFYFXBPL-SFHVURJKSA-N 416.543 3.110 0 40 HGAB CC(C)OC(=O)c1ccc(NC(=O)CN2CCCN(Cc3ccccc3)CC2)cc1 23039750 VZKCELDZIPOQRK-UHFFFAOYSA-N 409.530 3.398 0 40 HGAB Cc1noc(C)c1CCC(=O)N1CCC[C@@H](c2nnc(-c3ccc4c(c3)OCO4)o2)C1 42379974 ZXICAWVNMGCSPE-MRXNPFEDSA-N 424.457 3.409 0 40 HGAB COc1ccc([C@@H](C)NC(=O)[C@H](C)N(c2cc(C)ccc2C)S(C)(=O)=O)cc1 216211465 OQVVTYVCCDKLPO-SJORKVTESA-N 404.532 3.344 0 40 HGAB CCOc1cc(/C=C2/NC(=O)N(CC(=O)OC)C2=O)ccc1OCc1cccc(C)c1 33596793 DOIDDWVHLUHNEG-WOJGMQOQSA-N 424.453 3.038 0 40 HGAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCC[C@H]2c2ccc(C)cc2)cc1 32796195 FJZVLCSBAZFMAP-JXFKEZNVSA-N 402.516 3.034 0 40 HGAB C[C@@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccccn2)C1=O)c1ccc(Cl)cc1Cl 32915321 AOAWZCDKLWTBMS-WYRIXSBYSA-N 421.284 3.033 0 40 HGAB O=C1CC[C@]2(C(=O)Nc3cccc(-c4nnnn4C4CC4)c3)Sc3ccccc3N12 32888991 KUVXELQOWDOKQM-OAQYLSRUSA-N 418.482 3.243 0 40 HGAB CCCO[C@]1(C(=O)Nc2ccc(OCC(=O)N3CCOCC3)cc2)CCC[C@@H](C)C1 225662201 OJGCTXKIOFRHRA-WZONZLPQSA-N 418.534 3.238 0 40 HGAB CC[C@H](C(=O)N[C@H](C)c1ccc(OC)cc1)N(c1cccc(OC)c1)S(C)(=O)=O 220630852 AFEBDUFPSLTSLS-FOIQADDNSA-N 420.531 3.126 0 40 HGAB CCc1cccc(NC(=O)N2CCC[C@]3(CC(C(=O)NCc4cccnc4)=NO3)C2)c1 96225112 DPOWUWNAZPANPF-QHCPKHFHSA-N 421.501 3.103 0 40 HGAB NC(=O)c1ccc(-c2cccc([C@H]3CN(C(=O)c4ccc(F)cc4)CCO3)n2)cc1 257219749 DHZUPYSPZAECGV-OAQYLSRUSA-N 405.429 3.200 0 40 HGAB COC(=O)C[C@H](NC(=O)[C@@H]1CCCC[C@H]1C(=O)O)c1ccccc1Br 257173845 ZEALBCNCJJHGDT-JMSVASOKSA-N 412.280 3.061 0 40 HGAB C[C@]1(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)OCc2ccccc2)CCCc2ccccc21 1598440475 IRGPVQMETOVKPY-JLRUASKGSA-N 422.525 3.169 0 40 HGAB CC[C@H]1Oc2ccc(S(=O)(=O)NC(=O)c3csc(C(C)C)c3)cc2NC1=O 585281220 HFCLGHBALVUFSI-CQSZACIVSA-N 408.501 3.100 0 40 HGAB Cc1nn(C)cc1-c1cc(C(=O)N2CCC([C@@H]3CC(=O)c4ccccc4O3)CC2)n[nH]1 72336677 RXBPOUBFHSHIJG-QFIPXVFZSA-N 419.485 3.005 0 40 HGAB CCCN1CCN(C(=O)c2cnccn2)[C@@H](Cc2cccc(-c3ccccc3)c2)C1=O 72351812 SBYCZNNSYDUXFS-QHCPKHFHSA-N 414.509 3.449 0 40 HGAB Cc1cc([C@H]2CCCCCN2S(=O)(=O)c2ccc(N3CCCC3=O)cc2)no1 12187793 IZKMMDPWBRGLLK-LJQANCHMSA-N 403.504 3.416 0 40 HGAB O=C(NCCCc1ccccc1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl 13648329 OGGYFIFPZDAFRT-UHFFFAOYSA-N 406.935 3.487 0 40 HGAB CCCCNC(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1 13679049 CVRPKEHBNKCQCF-AWEZNQCLSA-N 407.363 3.452 0 40 HGAB CCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3cc(C)cc(C)c3)cc2)CC1 17094077 SHSQEUKRXCGHMP-UHFFFAOYSA-N 424.570 3.489 0 40 HGAB CCn1cncc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(OC)c2)CC1 19747049 UOOJYXCIWUCOBM-OAQYLSRUSA-N 424.545 3.459 0 40 HGAB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1c(C)cc(C)cc1C 19931264 ADUQMHKYLDAWJD-QUCCMNQESA-N 402.560 3.416 0 40 HGAB COC(=O)c1ccc(Cl)c(NC(=O)c2ccc(NS(C)(=O)=O)c(Cl)c2)c1 19932438 WRBXLLZJMZFJJR-UHFFFAOYSA-N 417.270 3.404 0 40 HGAB O=C(COc1ccc(F)c(Cl)c1)N1CCC[C@@H](c2noc(-c3cnccn3)n2)C1 12187687 QOUQBWWBDSLYFO-GFCCVEGCSA-N 417.828 3.104 0 40 HGAB CCc1nnc(COC(=O)C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)o1 21830090 ZIQLBOFAEJAOPB-UHFFFAOYSA-N 411.380 3.246 0 40 HGAB COc1ccc(C(=O)Nc2c3c(nn2-c2ccc(F)cc2)C[S@](=O)C3)cc1OC 2725150 SFMWGGUGXGAPEX-LJAQVGFWSA-N 415.446 3.043 0 40 HGAB C[C@H]1N=C2c3ccccc3N=C(SCC(=O)NCc3ccc(Cl)cc3)N2C1=O 8609133 JKPKNXVSMHDFTH-GFCCVEGCSA-N 412.902 3.368 0 40 HGAB O=C(NCCn1nc(-c2cccnc2)ccc1=O)Nc1ccc(OC(F)(F)F)cc1 11744427 YOMZQQOLNFVCIO-UHFFFAOYSA-N 419.363 3.026 0 40 HGAB S=C(NC[C@@H](c1cccnc1)N1CCOCC1)Nc1ccc(Br)cc1 17169536 RWLHEFINWMGZIV-KRWDZBQOSA-N 421.364 3.204 0 40 HGAB Cc1ccccc1-c1nc2scc(CCNS(=O)(=O)c3cccc(F)c3)n2n1 17136135 HCOLZKGWGJYPGL-UHFFFAOYSA-N 416.503 3.426 0 40 HGAB CC(C)NC(=O)N1C[C@@H]2CC[C@@H](CNC(=O)CCc3ccc[nH]3)N2Cc2ccccc21 2055747108 ITRHQEOMACGRAG-SFTDATJTSA-N 423.561 3.035 0 40 HGAB COc1ccc(OCC(=O)NC[C@H](c2cccn2C)N2CCc3ccccc3C2)cc1 21151944 LHXLIRQDSCOYBM-XMMPIXPASA-N 419.525 3.328 0 40 HGAB CN(C)c1ncc2c(n1)CC[C@@H](NC(=O)c1cc(Br)ccc1Cl)C2 585150281 JWFHWGPTJOXXPV-GFCCVEGCSA-N 409.715 3.246 0 40 HGAB COc1ccc2cc([C@]3(C)NC(=O)N(C[C@H](O)c4ccccc4F)C3=O)ccc2c1 40068494 YZXMBBFXTYNOHD-REWPJTCUSA-N 408.429 3.488 0 40 HGAB CCN(CC)S(=O)(=O)c1cc(C(=O)N(CC(F)(F)F)C(C)C)ccc1OC 40114345 GAQVYHYDHSCZBF-UHFFFAOYSA-N 410.458 3.139 0 40 HGAB CCOC(=O)[C@](NCCc1ccccc1)(NC(=O)c1ccc(OC)cc1)C(F)(F)F 20609066 OWYHNKSYRBIRFR-FQEVSTJZSA-N 424.419 3.079 0 40 HGAB biogenic COC(=O)c1cccc(NC(=O)N2CCc3nc[nH]c3[C@@H]2c2ccc(OC)cc2)c1 20762225 BEVBPEXBIOTIFH-FQEVSTJZSA-N 406.442 3.385 0 40 HGAB biogenic Cc1cc(=O)oc2cc(OCc3noc(C(=O)NCCc4ccccc4)n3)ccc12 20738677 OSSVTZPVQIQIEV-UHFFFAOYSA-N 405.410 3.036 0 40 HGAB biogenic COc1ccc(CCNC(=S)NC(=O)c2ccc(Br)cc2)cc1OC 827371 XCUZOGXEIMMNJS-UHFFFAOYSA-N 423.332 3.313 0 40 HGAB CCOc1cccc([C@H]2C(C(=O)Nc3ccccc3OC)=C(C)Nc3nnnn32)c1 936929 OPHDCHDDKUAZBC-IBGZPJMESA-N 406.446 3.008 0 40 HGAB COc1ccc2cc(CN(C[C@H]3CCCO3)C(=O)c3ccccc3F)c(=O)[nH]c2c1 1366641 AVABSOHBKVYJLW-GOSISDBHSA-N 410.445 3.497 0 40 HGAB C[C@H]1CCC[C@@H](C)N1S(=O)(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 1368249 RNMZCNIDIAZXCK-CALCHBBNSA-N 414.593 3.203 0 40 HGAB Nc1c(C(=O)NCCc2ccccc2)c2nc3ccccc3nc2n1C[C@@H]1CCCO1 2370111 QEAMAUYUBIWOMW-KRWDZBQOSA-N 415.497 3.318 0 40 HGAB COc1ccc(C=C(C(=O)NCc2ccccc2)C(=O)NCc2ccccc2)cc1O 3308760 SIFZTWHIBNFPGF-UHFFFAOYSA-N 416.477 3.417 0 40 HGAB Cn1c(SCC(=O)c2ccc3c(c2)OCO3)nnc1[C@@H]1COc2ccccc2O1 3405747 MQNYGFDIBRAGIC-SFHVURJKSA-N 411.439 3.031 0 40 HGAB aggregator CCN(CC(=O)NCc1ccc(F)cc1)C(=O)COc1cccc(Br)c1 3438637 ILBMPOXFONEXOZ-UHFFFAOYSA-N 423.282 3.132 0 40 HGAB CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SC[C@H]3CCCCO3)o2)c1 3542853 VMZMTMOGYXVOJM-OAHLLOKOSA-N 411.549 3.428 0 40 HGAB Cc1ccc2cc(CN(Cc3cccnc3)C(=S)NC[C@H]3CCCO3)c(=O)[nH]c2c1 4127131 JXVZSWYWTREEMZ-HXUWFJFHSA-N 422.554 3.287 0 40 HGAB CCCCNC(=S)N(Cc1cc2ccc(OC)cc2[nH]c1=O)C[C@@H]1CCCO1 4133177 DOMIAINXKRPDKW-SFHVURJKSA-N 403.548 3.192 0 40 HGAB COc1ccc([C@@H]2C(C(=O)Nc3cc(OC)ccc3OC)=C(C)Nc3ncnn32)cc1 4384721 GTSBIGCGEGKNQY-HXUWFJFHSA-N 421.457 3.232 0 40 HGAB CCS(=O)(=O)c1cccc(C(=O)Nc2nc3cc(OC)c(OC)cc3s2)c1 4585848 QXAVHKRSBTZTIW-UHFFFAOYSA-N 406.485 3.359 0 40 HGAB COC(=O)[C@H](CC(C)C)NC(=O)COCC(=O)N(c1ccccc1)c1ccccc1 4702601 YXRDOFGCRKBIDZ-FQEVSTJZSA-N 412.486 3.072 0 40 HGAB COc1cc(C(=O)N2c3ncnn3[C@@H](c3ccccc3)C[C@H]2C)cc(OC)c1OC 4732650 FZKZGIHHMZRLGZ-RHSMWYFYSA-N 408.458 3.332 0 40 HGAB CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(OCC)c(NC(C)=O)c2)cc1 4742177 MTTCDUGPLJQETH-UHFFFAOYSA-N 406.460 3.021 0 40 HGAB C[C@@H]1CCCN(S(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)C1 4742362 SQOXHROIDXXLHS-CQSZACIVSA-N 412.508 3.047 0 40 HGAB CC(C)(C)NC(=O)[C@H](c1ccncc1)N(C(=O)c1csnn1)c1cccc(F)c1 4857868 RYQCFQIWAUGZRH-KRWDZBQOSA-N 413.478 3.375 0 40 HGAB CCOc1ccccc1NC(=O)CSc1nnc2ccc(-c3ccccn3)nn12 5168343 WKPZNPFNQOSYLM-UHFFFAOYSA-N 406.471 3.316 0 40 HGAB CC[C@]1(c2ccc(OC)cc2)NC(=O)N(CC(=O)Nc2ccccc2Cl)C1=O 5264120 PKBQJJWNWKHDQX-HXUWFJFHSA-N 401.850 3.144 0 40 HGAB CCC[C@H]1CCc2c(sc(NC(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C(=O)O)c2C(N)=O)C1 5564095 BEJPIHKVXGDYOT-WYEAJDFLSA-N 402.516 3.213 0 40 HGAB CCOc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(CC)cc3)C2)cc1 6081946 YZHSMCIGUDMSCN-QGZVFWFLSA-N 410.470 3.183 0 40 HGAB CCCCc1ccc(NC(=O)CN2C(=O)N[C@](C)(c3ccc(OC)cc3)C2=O)cc1 6608687 KPLPDODJVOVSNG-HSZRJFAPSA-N 409.486 3.444 0 40 HGAB COc1ccc(CNS(=O)(=O)c2csc(C(=O)Nc3ccccc3)c2)cc1 6681706 VPXSOCAETAVBKZ-UHFFFAOYSA-N 402.497 3.488 0 40 HGAB CCN1C(=O)N/C(=C/c2cc(Br)c(OC)c(Br)c2)C1=O 6951133 ZVXPTANKJRBCPE-UXBLZVDNSA-N 404.058 3.133 0 40 HGAB CN(CC(=O)Nc1ccc(Cl)cc1)C(=O)CNC(=O)c1ccc2ccccc2c1 6993634 WZVCVWIYUKEBFF-UHFFFAOYSA-N 409.873 3.320 0 40 HGAB CCOc1cc(Br)cc2cc(C(=O)NCc3cccnc3)c(=O)oc12 7467942 KZFKZWQRGCUMFM-UHFFFAOYSA-N 403.232 3.279 0 40 HGAB CCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccccc2OCC)c(C)c1 7604556 GHTSPKCONZMNHJ-UHFFFAOYSA-N 406.504 3.100 0 40 HGAB O=C(NC1CC1)c1cccc(NC(=O)C2CCN(C(=O)/C=C/c3ccccc3)CC2)c1 8230172 MUDVNMXALFCXOW-FMIVXFBMSA-N 417.509 3.469 0 40 HGAB O=C(N[C@H]1CCN2C(=O)c3cc(-c4ccsc4)ccc3NC(=O)[C@H]12)c1cccs1 8296753 YQNKHGKMOXILDD-WMZOPIPTSA-N 423.519 3.442 0 40 HGAB biogenic,in-vitro C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)c1ccc(CNC(=O)C(C)(C)C)s1)C2=O 8313252 WKCHPZJJINFYIB-ASSNKEHSSA-N 419.547 3.094 0 40 HGAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2nc(C)cc(C)c2C(N)=O)c1C 8428501 ATUPKWSEAWIMBR-ZDUSSCGKSA-N 403.504 3.282 0 40 HGAB CSc1nc(Cl)c(Br)c(Sc2nc(N)nc3[nH]cnc23)n1 8615348 HCIPRXPENNHLHS-UHFFFAOYSA-N 404.706 3.014 0 40 HGAB COc1ccc(CNC(=O)CSc2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc1 8640592 GFFLTNQJZJNVFU-UHFFFAOYSA-N 415.540 3.281 0 40 HGAB CN(C)c1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)cc1 8992260 JLJUDJXSICXBEZ-HNNXBMFYSA-N 421.950 3.445 0 40 HGAB CCOC(=O)CNC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(C)cc1 9309004 VJLKWYMCBDTAOU-UHFFFAOYSA-N 424.526 3.323 0 40 HGAB COc1ccc(N2CCn3c(SCC(=O)Nc4cccc(OC)c4)nnc32)cc1 9574029 BUKDEIWYLIIQPZ-UHFFFAOYSA-N 411.487 3.178 0 40 HGAB CN(CC(=O)N1CCC[C@H]1c1nc2ccccc2s1)S(=O)(=O)c1cccs1 9584916 CSRBQKJTXYSNIT-AWEZNQCLSA-N 421.569 3.342 0 40 HGAB O=C(COC(=O)c1ncc(Cl)c(Cl)c1Cl)NCc1ccc2c(c1)OCO2 9644283 ICAGKBRXXPTMTO-UHFFFAOYSA-N 417.632 3.244 0 40 HGAB COc1ccc(/C=C2\NC(=O)N(CC(=O)Nc3cccc(C(F)(F)F)c3)C2=O)cc1 9971244 LCXPVBBPKNSCOP-SXGWCWSVSA-N 419.359 3.245 0 40 HGAB CCn1c(SCC(=O)Nc2ccc(NC(C)=O)c(C)c2)nnc1-c1cccnc1 10231023 WTXLLEMMACYOEN-UHFFFAOYSA-N 410.503 3.358 0 40 HGAB O=C(c1ccc(I)cc1)N1CCN(CCc2ccccc2)CC1 10234320 OEEOLNKCWJXKFE-UHFFFAOYSA-N 420.294 3.292 0 40 HGAB CS(=O)(=O)c1ccc(C(=O)NCC2(c3ccc4c(c3)OCCO4)CCCC2)cc1 10769802 HDMAPCKQUTWZCX-UHFFFAOYSA-N 415.511 3.103 0 40 HGAB O=S(=O)(NC[C@H](c1cccc(Cl)c1)N1CCCC1)c1ccc2c(c1)OCO2 11999428 FRFJBZDSGMTYLJ-QGZVFWFLSA-N 408.907 3.184 0 40 HGAB CN(C)C[C@@H](NC(=O)C1CCC2(CC1)CNC(=O)c1ccccc1O2)c1ccccc1 12086808 XFEOYTOQYVLMRW-FMQWRWPZSA-N 421.541 3.157 0 40 HGAB C[C@@H]1C[C@@H](C)CN(CC(=O)N2C[C@@H](c3csnn3)[C@H](c3ccc(F)cc3)C2)C1 12182714 XUWNGOZYVZDLIU-VVWQDTPRSA-N 402.539 3.365 0 40 HGAB COc1ccc(-c2nc(S(=O)(=O)c3ccc(F)cc3)c(N3CCOCC3)o2)cc1 12419766 FQPHFNYLCGXXMW-UHFFFAOYSA-N 418.446 3.159 0 40 HGAB CCOC(=O)CNC(=O)CSc1nnc(-c2ccccc2)n1-c1cccc(C)c1C 12473831 OPKJVYHICHZQIE-UHFFFAOYSA-N 424.526 3.323 0 40 HGAB O=C1O[C@H](C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)Cc2ccccc21 12633663 XDJVCBBKBDZKPJ-SFHVURJKSA-N 420.387 3.262 0 40 HGAB CC(C)CC[C@H](C)NC(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 12731160 ZEWLGFHLQBXCLD-AWEZNQCLSA-N 402.507 3.306 0 40 HGAB COc1cc2ccccc2cc1C(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 12759543 WWLDMQSKHAZANO-UHFFFAOYSA-N 421.472 3.384 0 40 HGAB CN(CC(=O)Nc1cccc(F)c1)C(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O 12806008 LXTCXXOCLZHSSI-MRXNPFEDSA-N 421.881 3.379 0 40 HGAB COc1ccc(N2C[C@@H](C(=O)Nc3cc(C)nn3Cc3ccccc3)CC2=O)cc1 12908964 NIZAWSUOQLGSED-SFHVURJKSA-N 404.470 3.240 0 40 HGAB O=C(O)c1sccc1S(=O)(=O)NCC1(c2ccc3c(c2)OCCO3)CCCC1 12916265 GUGTWVQGDZVLPJ-UHFFFAOYSA-N 423.512 3.008 0 40 HGAB C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCCSCc1ccccc1 12992376 BBENEINKCOZRQA-CQSZACIVSA-N 412.964 3.056 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CSc3ccccc3C)CC2)c(C)c1 13137114 VWZFPFFSLNCBMK-UHFFFAOYSA-N 418.584 3.237 0 40 HGAB Cc1ccc(NS(=O)(=O)c2ccn(S(=O)(=O)c3ccccc3)c2)cc1Cl 13585726 MPZTZRYFVQHZDE-UHFFFAOYSA-N 410.904 3.488 0 40 HGAB CCOC(=O)c1ccc(NC(=O)[C@H](C)N(c2ccc(C)cc2)S(C)(=O)=O)c(C)c1 13632237 DJTSGMVGFZVKHN-INIZCTEOSA-N 418.515 3.273 0 40 HGAB COc1ccc(CCNC(=O)[C@H]2CCCN(C(=O)c3ccc4cc[nH]c4c3)C2)cc1 13719809 ZNSQOVTTXIBJHZ-FQEVSTJZSA-N 405.498 3.388 0 40 HGAB COc1cc2c(c3oc(=O)c(CCC(=O)N4CCOCC4)c(C)c13)CCC(C)(C)O2 13731281 RIBAXZYNIKTALE-UHFFFAOYSA-N 415.486 3.005 0 40 HGAB COc1ccc(Cn2nnnc2SCC(=O)N2CCC[C@@H]3CCCC[C@@H]32)cc1 14139215 ZHUOJRQWUHLDLU-WMZOPIPTSA-N 401.536 3.003 0 40 HGAB O=C(NCc1cccc(C(F)(F)F)c1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 14790014 MKFTVOTXFYNFCP-CQSZACIVSA-N 420.387 3.146 0 40 HGAB C[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)Nc1ccc(F)cc1F 14796150 ZZYWYGYUHZFVTC-VIFPVBQESA-N 419.247 3.033 0 40 HGAB CC(C)OC(=O)C[C@H](NC(=O)CNC(=O)c1ccc(F)cc1)c1ccccc1Cl 16107310 NAGFLALTMLQMKP-SFHVURJKSA-N 420.868 3.408 0 40 HGAB CC(=O)NC(=S)Nc1ccc(NC(=O)COc2ccc(Br)cc2)cc1 16139109 HXFLKNBXMUBAIQ-UHFFFAOYSA-N 422.304 3.300 0 40 HGAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc(C(C)=O)c2)cc1Cl 16692704 NLIYPHQYJZKJPA-UHFFFAOYSA-N 424.906 3.201 0 40 HGAB CC(=O)N1CCc2c(O)nc([C@H]3CCCCN3C(=O)CC3CCCCC3)nc2C1 19018923 UOQORHSDCVCBNO-LJQANCHMSA-N 400.523 3.111 0 40 HGAB Cc1nc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cc(C(C)C)no2)cc(=O)[nH]1 19285145 KCDWENOOFLCCOE-GOSISDBHSA-N 405.458 3.385 0 40 HGAB O=C([C@H]1CN(Cc2ccccc2)C[C@@H]1c1ccnc(N2CCCC2)n1)N1CCCCC1 19372452 UBVXAJDPSGRJGN-VXKWHMMOSA-N 419.573 3.305 0 40 HGAB CCS(=O)(=O)N1CCC(C(=O)OCc2csc(-c3ccc(C)cc3)n2)CC1 19427396 CSDLTNWEKCBTID-UHFFFAOYSA-N 408.545 3.223 0 40 HGAB COc1ccc2[nH]c(CN3CCc4c(nc(N5CCC[C@@H](C)C5)[nH]c4=O)C3)c(C)c2c1 19565494 CXEFOKXNHMPYKK-OAHLLOKOSA-N 421.545 3.363 0 40 HGAB Cc1cc(C)cc(-c2ccc(C[C@@H]3CN(C(=O)c4cc[nH]n4)CCN(C)C3=O)cc2)c1 19569810 QNKVQOKFYCRWSS-JOCHJYFZSA-N 416.525 3.467 0 40 HGAB COc1ccc([C@H]2CN(Cc3ccccc3)C[C@@H]2NC(=O)c2cn(C)nc2C)cc1 19583649 RSPKKKBPFIEFCE-PKTZIBPZSA-N 404.514 3.135 0 40 HGAB CC(C)CNC(=O)c1cc([C@H]2CN(C(=O)c3ccncc3)CCO2)nc2ccccc12 19759278 QAZJQHLDYNVYME-JOCHJYFZSA-N 418.497 3.229 0 40 HGAB Cc1ccc(N(CC(=O)Nc2cccc(Br)c2)S(C)(=O)=O)cc1C 19946724 MLWGEWNFQGHHET-UHFFFAOYSA-N 411.321 3.471 0 40 HGAB O=C(NCc1ccccc1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1 20007637 VJXJBMLGERYFLO-OAQYLSRUSA-N 412.486 3.032 0 40 HGAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H](C)c2ccc(Cl)cc2)cc1 20013604 RXIKSCGAFHZDHX-CQSZACIVSA-N 410.923 3.237 0 40 HGAB CCOC(=O)c1cccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2Cl)c1C 20050425 KGMPOIXSDSUEQT-UHFFFAOYSA-N 410.879 3.449 0 40 HGAB CC(C)Oc1ccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)cc1 20110816 MNUFNGSWAREEMR-QGZVFWFLSA-N 422.572 3.252 0 40 HGAB CC/C(NCc1cc(OC)cc(OC)c1)=C1\C(=O)NC(=O)N(c2ccc(C)cc2)C1=O 20292705 AQFXABMYTOSWGD-VXPUYCOJSA-N 423.469 3.049 0 40 HGAB O=C(CCN1C(=O)NC2(CCCC2)C1=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 22021161 SGYFLXWLUZOQIF-UHFFFAOYSA-N 413.474 3.311 0 40 HGAB Cc1nn(C(F)F)c(C)c1S(=O)(=O)N1CCN(Cc2cccc(Cl)c2)CC1 22468295 VBPREJQPZGFHAC-UHFFFAOYSA-N 418.897 3.055 0 40 HGAB C[C@@H](NC(=O)C(=O)NC[C@@H](c1ccco1)N1CCc2ccccc2C1)c1ccccc1 22907564 PTKKRAHNDJQKSV-GCJKJVERSA-N 417.509 3.373 0 40 HGAB NC(=O)Cn1c(SCC(=O)Nc2ccccc2Oc2ccccc2)nnc1C1CC1 23350426 IAVFSWYPJHKFOO-UHFFFAOYSA-N 423.498 3.164 0 40 HGAB Cc1nc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccccc2C(F)(F)F)sc1C 32859847 PWLRXNFHWQHOMB-SECBINFHSA-N 407.439 3.084 0 40 HGAB CN(C)C(=O)c1cccc(NC(=O)COc2cccc(I)c2)c1 32904856 QWDULPCOKAUQJT-UHFFFAOYSA-N 424.238 3.011 0 40 HGAB COc1ccc(C(=O)N(C)[C@@H]2CCc3ccccc32)cc1S(=O)(=O)NC(C)C 32905704 DRUDTPLKHCVORB-GOSISDBHSA-N 402.516 3.141 0 40 HGAB Cc1cccc(-c2noc(CSc3nc4cc5c(cc4c(=O)n3C)OCO5)n2)c1 33279706 LRMJCSUYYGPCTE-UHFFFAOYSA-N 408.439 3.313 0 40 HGAB CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)CN1CCc2ccccc2C1 35930645 HFRIOQOCSNIJGT-UHFFFAOYSA-N 407.470 3.350 0 40 HGAB CN(C)Cc1ccc(CNC(=O)c2occc2CS(=O)(=O)c2ccccc2)cc1 40018248 HHJUBTVCEOFMCY-UHFFFAOYSA-N 412.511 3.245 0 40 HGAB CSCC[C@H](C(=O)NCC1(c2ccccc2)CC1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 40049118 OACGUKBLHUNOFF-GBESFXJTSA-N 414.571 3.131 0 40 HGAB CCCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCc3ccccc3C2)C1=O 40159287 QCVRPZLEMYJQMX-DEOSSOPVSA-N 405.498 3.209 0 40 HGAB COc1cc(NC(=O)c2cnc3ccccc3n2)c(C(=O)N2CCCC2)cc1OC 47570667 XLQXGIKWZNVBFG-UHFFFAOYSA-N 406.442 3.135 0 40 HGAB C[C@@H]1CCCC[C@@H]1OCCNC(=O)c1ccc(S(=O)(=O)Nc2ccncc2)cc1 48253061 ULYGFFWWTJNVLA-UZLBHIALSA-N 417.531 3.208 0 40 HGAB CC(C)[C@@H](NC(=O)CN(Cc1cnn(C)c1)C(C)C)c1ccc2c(c1)OCCCO2 55920808 DHXAFUDABIPUSI-HSZRJFAPSA-N 414.550 3.305 0 40 HGAB COc1ccccc1NC(=O)Cn1cnc2c(cnn2-c2ccc(C(C)C)cc2)c1=O 57486490 VLGSOPMNWRIKLM-UHFFFAOYSA-N 417.469 3.353 0 40 HGAB O=C(Cn1c(=O)cc(-c2nc(C3CC3)no2)c2ccccc21)NCCc1ccccc1 67318018 JTNVPGIIDRNUQU-UHFFFAOYSA-N 414.465 3.288 0 40 HGAB COc1ccc(C(=O)N[C@H](Cc2ccc(F)cc2)C(C)C)cc1S(=O)(=O)N(C)C 72303711 VOXTVAPLOUMEJX-GOSISDBHSA-N 422.522 3.082 0 40 HGAB Cc1nn(C)cc1C(=O)N1CCC2(CC1)C[C@]1(CO2)Nc2ccccc2-n2cccc21 72327262 DCMMQWURPCTELH-XMMPIXPASA-N 417.513 3.235 0 40 HGAB C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCC[C@H](n3c(=O)oc4ccc(Cl)cc43)C2)C1 72347842 WDTZTVGVLFXGIB-INMHGKMJSA-N 405.926 3.389 0 40 HGAB COc1ccc(CC(=O)N(C)Cc2nc(C)c3c(n2)N(CCC(C)C)C(=O)CC3)cc1 72370985 AEEMEDHKEIKVJJ-UHFFFAOYSA-N 424.545 3.320 0 40 HGAB CC1(C2CCN(C(=O)Nc3ccccc3I)CC2)OCCO1 84673924 YIBATHLIWQEOMO-UHFFFAOYSA-N 416.259 3.298 0 40 HGAB COCCOc1ccc(Cl)cc1S(=O)(=O)Nc1ccccc1N1CCCC1=O 89420208 LYXPPUAHWLHNMB-UHFFFAOYSA-N 424.906 3.293 0 40 HGAB CC(C)NC(=O)C[C@@H]1CC2(CCN(C(=O)C3CCOCC3)CC2)Oc2ccccc21 96053359 KIFOTWYXFQWWKC-LJQANCHMSA-N 414.546 3.255 0 40 HGAB CCc1nn(C)c(C(=O)NC[C@H]2CC[C@H](c3nnc(-c4ccncc4)o3)CC2)c1C 100155810 SMYNEPANJFLBSY-IYBDPMFKSA-N 408.506 3.440 0 40 HGAB C[C@@H](C(=O)NCC(c1ccccc1)c1ccccc1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 100682567 DQPCXQOQNBWZPD-IOMROCGXSA-N 402.494 3.274 0 40 HGAB O=C(NCc1nc(-c2ccc(Cl)cc2)no1)c1ccc(CN2CCCC2=O)cc1 219233634 WJTOFRNQMRSUKL-UHFFFAOYSA-N 410.861 3.442 0 40 HGAB CCc1ccc(N([C@@H](C)C(=O)N[C@@H](C)COc2ccc(C)cc2)S(C)(=O)=O)cc1 220290248 PGTFLQOGABVPRQ-ROUUACIJSA-N 418.559 3.296 0 40 HGAB CC[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)N(c1cc(C)ccc1C)S(C)(=O)=O 220541123 UJQPLLPFJAUSCE-KRWDZBQOSA-N 418.515 3.258 0 40 HGAB COCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(OC)cc1 223021582 JHKUWMHQNWRDQV-SFTDATJTSA-N 408.527 3.500 0 40 HGAB S=C1N[C@H](c2ccccn2)[C@H](c2cccn2C[C@@H]2CCCO2)N1C[C@@H]1CCCO1 223303513 RHNMNDDUBMMESE-PZBISTMVSA-N 412.559 3.214 0 40 HGAB COc1cccc(-c2noc(CN(C)S(=O)(=O)c3ccc(SC)cc3)n2)c1 223769356 JMJLXRKFUAYGIE-UHFFFAOYSA-N 405.501 3.288 0 40 HGAB COc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)N3CCC(C)CC3)cc2)cc1 224438032 UHRWWAWVRSTVTJ-UHFFFAOYSA-N 416.543 3.388 0 40 HGAB CS(=O)(=O)N(CCCC(=O)NCCOc1ccccc1)c1cccc(Cl)c1 224629964 MLDKTMRIWHMRMA-UHFFFAOYSA-N 410.923 3.081 0 40 HGAB CCOC(=O)C1CCN(C(=O)C2CCN(Cc3ccc(Cl)cc3F)CC2)CC1 225579071 JSYPYJIRCQPAQL-UHFFFAOYSA-N 410.917 3.493 0 40 HGAB CC(C)c1ccc(CCCNC(=O)[C@@H](c2ccccc2)N(C)S(C)(=O)=O)cc1 225683197 YLFSHIXFOUCXFB-OAQYLSRUSA-N 402.560 3.492 0 40 HGAB O=C(Nc1ccc2sncc2c1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 226073843 JILMLMVMNNCSNR-UHFFFAOYSA-N 419.503 3.475 0 40 HGAB FC(F)(F)c1cccc(N2CCN(C3CCN(Cc4ccncc4)CC3)CC2)n1 252505746 VTJVDWHNPFGUPI-UHFFFAOYSA-N 405.468 3.282 0 40 HGAB Cc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccccc3)[C@]2(CN)NC(=O)OC(C)(C)C)cc1 252516541 TZNSCRNWRYDTDD-XQBPLPMBSA-N 416.543 3.157 0 40 HGAB O=C1CCCC[C@]2(CN(Cc3ccnc(N4CCCCC4)n3)C[C@H]2c2ccccc2)N1 257205378 AYTTYCDPDBEYBS-WIOPSUGQSA-N 419.573 3.495 0 40 HGAB C[C@H](Oc1ccc(F)cc1)C(=O)N1CCC(c2cncc(Nc3cnccn3)n2)CC1 257206169 BCEAQPXRXDBIEI-HNNXBMFYSA-N 422.464 3.323 0 40 HGAB Cc1nc([C@H]2CCCN(C(=O)C(C)C)C2)nc(C)c1CC(=O)NC1CCCCC1 257206706 BEPZNLKAHHTWPO-SFHVURJKSA-N 400.567 3.447 0 40 HGAB CCN(CC)S(=O)(=O)N1CCC(c2cc(Nc3ccc(F)cn3)cc(C)n2)CC1 257320921 VZHKOBBYEFNQPW-UHFFFAOYSA-N 421.542 3.434 0 40 HGAB O=C1c2cccn2[C@H]2CN(Cc3ccc4c(c3)OCO4)C[C@@H]2N1Cc1cccs1 306142178 WSCAPGRWBMQPAT-OALUTQOASA-N 407.495 3.360 0 40 HGAB COc1ccc(C)cc1S(=O)(=O)N[C@@H](C)C(=O)Nc1cccc(C(F)(F)F)c1 408558767 KFWRWKWSEWRLLL-LBPRGKRZSA-N 416.421 3.328 0 40 HGAB CC(=O)Nc1cccc(NC(=O)CCc2ccc(S(=O)(=O)NC(C)(C)C)cc2)c1 408583296 GYFBSPZWGVJZNR-UHFFFAOYSA-N 417.531 3.293 0 40 HGAB COc1ccc(N(CC(=O)NC(C)(C)C)S(=O)(=O)c2cc(C)ccc2OC)cc1 408587118 QJJQGGNTRAYSRO-UHFFFAOYSA-N 420.531 3.122 0 40 HGAB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NC1CCCC1)C1CCCCC1 408620222 KTWZWWOUSVOMHQ-UHFFFAOYSA-N 408.564 3.386 0 40 HGAB COc1cc(C(=S)N2CCOCC2)ccc1OCC(=O)Nc1ccc(C)c(C)c1 409237693 BGASWLJKUSFVOV-UHFFFAOYSA-N 414.527 3.337 0 40 HGAB O=C(COc1ccc(S(=O)(=O)N2CCCC2)cc1Cl)Nc1ccc(F)cc1 409393162 VUBUVGRHEZJMRV-UHFFFAOYSA-N 412.870 3.281 0 40 HGAB O=S1(=O)CC[C@@H](N(Cc2ccccc2)S(=O)(=O)c2ccc3ccccc3c2)C1 575421118 IEYJIVGTRCCBCS-HXUWFJFHSA-N 415.536 3.218 0 40 HGAB COC(C)(C)C(=O)N1CCC2(CCCCCOc3ccccc3C(=O)NC2)CC1 643552016 VLLYCGGLZVQDQP-UHFFFAOYSA-N 402.535 3.403 0 40 HGAB C[C@H]1CCc2nc(C(=O)N[C@H]3CCc4nc(-c5ccc(F)cc5F)cn4C3)cn2C1 1615613461 VWMIRMQEBUATKD-ZFWWWQNUSA-N 411.456 3.352 0 40 HGAB CCN(Cc1ccncc1)C[C@]1(O)CCCN(C(=O)c2cc3ccccc3[nH]2)CC1 1848354063 JALHTAKOVWRPEO-DEOSSOPVSA-N 406.530 3.442 0 40 HGAB Cc1cc(OC[C@]2(O)CCCN(C(=O)CCn3ccnc3)CC2)cc(C)c1Cl 2037912029 CPFWHHKZBGAEAD-NRFANRHFSA-N 405.926 3.366 0 40 HGAB O=C(CNc1ccc(Cl)cc1F)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 3343924 AQLBTXSFSFCPRU-UHFFFAOYSA-N 411.886 3.314 0 40 HGAB COc1cc(/C=C/C(=O)OCC(=O)Nc2ccc(F)cc2F)cc(OC)c1OC 3415338 SLUGESOSAHGMPE-QPJJXVBHSA-N 407.369 3.186 0 40 HGAB COc1ccc(OC)c2[nH]c(=O)c(CCNC(=S)Nc3cccc(F)c3)cc12 4225463 AWROAGLXPWSCFK-UHFFFAOYSA-N 401.463 3.214 0 40 HGAB CC(C)CNC(=O)COC(=O)[C@H](CC(C)C)NC(=O)c1ccc(Cl)cc1Cl 4286380 DSQLWYVJGNYOQK-INIZCTEOSA-N 417.333 3.453 0 40 HGAB O=C(Nc1ccc(NC(=O)[C@H]2CCCC[C@H]2C(=O)O)cc1)[C@H]1CCCC[C@H]1C(=O)O 4575285 IKAOYKBYSTULCQ-WNRNVDISSA-N 416.474 3.346 0 40 HGAB COc1ccc(CNC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)cc1 4732579 UCWHFAUULYXTMX-UHFFFAOYSA-N 402.497 3.488 0 40 HGAB C[C@H]1CCCN(C(=O)CSc2nc3ccccc3n2CC(=O)NC2CCCC2)C1 4859106 LYJFTUKBXOCRFG-INIZCTEOSA-N 414.575 3.446 0 40 HGAB Fc1cccc(-c2cc3nc4c(c(N5CCN(c6ncccn6)CC5)n3n2)CCC4)c1 4966862 WCWAXJKZFWUZID-UHFFFAOYSA-N 415.476 3.141 0 40 HGAB CCN(CC)C(=O)Cn1cc(C(=O)C(=O)Nc2cccc(OC)c2)c2ccccc21 5086989 MVLHVRWEELVZTD-UHFFFAOYSA-N 407.470 3.340 0 40 HGAB COc1cc(C(=O)NCCC(C)C)cc(CN2C(=O)c3ccccc3C2=O)c1OC 6085283 YKYYDDLADSLTFX-UHFFFAOYSA-N 410.470 3.276 0 40 HGAB O=C(CSc1ccncc1)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 6145915 VOPCTCXGKDXNCV-UHFFFAOYSA-N 406.514 3.070 0 40 HGAB CCCS(=O)(=O)Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1OC 7140998 PVPNVBXVCXRDJV-UHFFFAOYSA-N 418.924 3.301 0 40 HGAB COc1cc(CNCc2cccnc2)ccc1OCC(=O)N1CCc2ccccc21 7274992 LAUNKCZISFTWHE-UHFFFAOYSA-N 403.482 3.348 0 40 HGAB C[C@H]1CCc2[nH]c3ccc(C(=O)OCC(=O)Nc4ccc5[nH]c(=O)[nH]c5c4)cc3c2C1 7778487 YVMSUDNIEKPSHE-LBPRGKRZSA-N 418.453 3.258 0 40 HGAB O=C(NCc1ccccn1)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 8289919 WSSYAYZDCSIPER-UHFFFAOYSA-N 401.875 3.466 0 40 HGAB O=S1(=O)N=C(Nc2cc(C(F)(F)F)ccc2N2CCOCC2)c2ccccc21 9295458 IYRPGHRENBSXHP-UHFFFAOYSA-N 411.405 3.103 0 40 HGAB O=S(=O)(Nc1ccc(F)cc1Cl)c1ccc(S(=O)(=O)N2CCCC2)cc1 9464944 PFHMHJJRXXOZPL-UHFFFAOYSA-N 418.899 3.064 0 40 HGAB Cn1cnnc1Sc1ccc(Cl)cc1NC(=O)c1cnn(-c2ccccc2)n1 9579240 HDMWVNJIQLQPBU-UHFFFAOYSA-N 411.878 3.453 0 40 HGAB CS(=O)(=O)c1ccc(-c2ccc(NC(=O)CSCc3ccccc3)cc2)nn1 9786991 LEJHVKBZKIAMFT-UHFFFAOYSA-N 413.524 3.419 0 40 HGAB Cc1ccc(C)c(N2N=C(C(=O)NCc3ccc(N4CCCC4=O)cc3)CCC2=O)c1 10454227 QCZKQCSZUDXSDN-UHFFFAOYSA-N 418.497 3.229 0 40 HGAB COc1ccc(N2CCCCS2(=O)=O)cc1S(=O)(=O)Nc1c(C)cccc1C 11906641 IYPSULLKEPFUQG-UHFFFAOYSA-N 424.544 3.043 0 40 HGAB CCOc1cc(CCC(=O)N2CCCC[C@@H]2c2cc3nc(C)c(C)c(O)n3n2)on1 12161621 JGDOACXQTJKYNX-QGZVFWFLSA-N 413.478 3.125 0 40 HGAB Cc1nn(CC(=O)N2CCC[C@H](n3c(=O)oc4ccc(Cl)cc43)C2)c(C)c1C 12184514 DEHSSWSTNVSDKT-INIZCTEOSA-N 402.882 3.233 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCN(c3ccc(-c4cccs4)nn3)CC2)cc1 12443555 DWEVTASQXWFCOJ-UHFFFAOYSA-N 400.529 3.024 0 40 HGAB O=C(O)[C@H]1CC=CC[C@@H]1C(=O)Nc1ccccc1NS(=O)(=O)c1cccs1 12605720 ZNZHVJHJFLPPAI-STQMWFEESA-N 406.485 3.154 0 40 HGAB Cc1ccc(NC(=O)CN(C)C(=O)C2CCN(C(=O)c3ccccc3C)CC2)cc1 12806667 FBYQYCCDLFLSPA-UHFFFAOYSA-N 407.514 3.253 0 40 HGAB C[C@@H](Sc1nc(Cl)nc2[nH]cnc12)C(=O)NCCc1c[nH]c2ccc(F)cc12 13549030 XQVWZKJCSSYVNA-SECBINFHSA-N 418.885 3.466 0 40 HGAB CCN1CCc2c(sc(NC(=S)NC(=O)c3ccccc3Cl)c2C(N)=O)C1 13595921 KDYNRVLLXVRPSG-UHFFFAOYSA-N 422.963 3.005 0 40 HGAB CCOC(=O)c1c(NC(=O)CN(C)Cc2cccs2)sc(C(=O)OC)c1C 14199135 AQAQXEIRQOZZPE-UHFFFAOYSA-N 410.517 3.152 0 40 HGAB COc1cc(NC(=O)CCNC(=O)C23CC4CC(CC(C4)C2)C3)cc(OC)c1OC 14234815 UZBKIXCHSKHZNP-UHFFFAOYSA-N 416.518 3.374 0 40 HGAB CCCS(=O)(=O)N1CCCc2cc(NS(=O)(=O)c3ccc(C)cc3)ccc21 17286981 AZRMOICVHHBMJL-UHFFFAOYSA-N 408.545 3.288 0 40 HGAB CC(C)C(=O)N1CCCC[C@@H]1c1nc(O)c2c(n1)CCN(C(=O)C1CCCCC1)C2 19085685 RIOYEGREETXNKO-LJQANCHMSA-N 414.550 3.357 0 40 HGAB Cc1cc2nc([C@@H]3CCCN3C(=O)[C@H]3C[C@@H](O)CN3Cc3ccccc3)[nH]c2cc1C 19125312 UBBCHHRFFWUMLM-WTIAFYNJSA-N 418.541 3.479 0 40 HGAB O=C(Nc1ncc(Cc2ccc(F)cc2)s1)[C@H]1CC(=O)N(Cc2ccncc2)C1 19334814 AZIGHVHFFNURJD-INIZCTEOSA-N 410.474 3.255 0 40 HGAB COc1ccc(CN2CCc3nc(-c4ccncc4)[nH]c(=O)c3CC2)cc1OC(C)C 19450499 YSSHNBKLWXVDLS-UHFFFAOYSA-N 420.513 3.229 0 40 HGAB COc1ccc(N2C[C@@H](C(=O)Nc3ccc4c(c3)N(C)CCC4)CC2=O)c(OC)c1 19661443 OZUHNZCKMWWYEJ-INIZCTEOSA-N 409.486 3.078 0 40 HGAB Cc1nn(C)cc1C(=O)N1CCC([C@H]2CCCCN(Cc3ccccc3)C2=O)CC1 19743930 UMJSMGICPHSLDV-OAQYLSRUSA-N 408.546 3.410 0 40 HGAB CN(C(=O)CN(c1ccc(OCc2ccccc2)cc1)S(C)(=O)=O)C1CCCC1 19932315 ZFIYBAZMGAHRPZ-UHFFFAOYSA-N 416.543 3.433 0 40 HGAB Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)N[C@@H]2CCCc3ccccc32)c(C)c1 20013143 ZEPADSCFYVXBTO-HXUWFJFHSA-N 400.544 3.426 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NC3CCCCCCC3)C2)cc1 20902256 SNIBHNOVYJHWCK-KRWDZBQOSA-N 408.564 3.325 0 40 HGAB Cc1ccc(NC(=O)CN2CCN(Cc3nc(-c4ccccc4C)no3)CC2)cc1 22932545 YCQLDPYKTZKFON-UHFFFAOYSA-N 405.502 3.110 0 40 HGAB Cc1ccc(N(Cc2ccccc2)C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)cc1 23294779 UCYRBYMTQIEXOC-UHFFFAOYSA-N 407.495 3.026 0 40 HGAB COC(=O)c1ccc2[nH]c3c(c2c1)CN(C(=O)CCc1cc(OC)cc(OC)c1)CC3 25453807 PRBQRNFWXYQHSC-UHFFFAOYSA-N 422.481 3.489 0 40 HGAB O=C(CSc1nc2ccccc2o1)NC[C@@H](c1cccs1)N1CCOCC1 30014982 HTUOHIPOBPFAEX-HNNXBMFYSA-N 403.529 3.171 0 40 HGAB CS(=O)(=O)N1CCCC[C@H]1C(=O)Nc1cccc(OCc2ccc(F)cc2)c1 30391750 PBCWNIJBSHCLBF-IBGZPJMESA-N 406.479 3.157 0 40 HGAB CSCC[C@H](NC(=O)CCn1cnc2ccccc2c1=O)c1nc2ccccc2[nH]1 31511577 JAWPUGSHJKHSQS-IBGZPJMESA-N 421.526 3.274 0 40 HGAB CCc1noc([C@@H](C)N2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)n1 32755243 HPQPUHRMXYENSG-LLVKDONJSA-N 419.334 3.006 0 40 HGAB COC(=O)[C@@H]1C(=O)N(Cc2ccc(Br)cc2F)C(=O)c2ccc(F)cc21 34106443 VRDRWIRJPFJGHV-HNNXBMFYSA-N 424.197 3.167 0 40 HGAB CN([C@H]1CCc2c(CC(=O)O)c3ccccc3n2C1)S(=O)(=O)c1ccc(F)cc1 34804183 JTCAGRAKUAAYDY-HNNXBMFYSA-N 416.474 3.043 0 40 HGAB COc1ccc(CNC(=O)[C@@H]2CC(=O)N(CCc3c[nH]c4ccc(F)cc34)C2)cc1 35558761 WFPCTNJJVZIQFC-QGZVFWFLSA-N 409.461 3.023 0 40 HGAB O=C1C[C@@H](C(=O)N2CCC(O)(c3ccc(Cl)cc3)CC2)CN1Cc1ccccc1 36366676 BBYPYGHSQSAYGD-GOSISDBHSA-N 412.917 3.199 0 40 HGAB O[C@H](CNC[C@@H](c1cccs1)N1CCOCC1)CO[C@@H]1CCCc2ccccc21 40160722 OLYKVYHNIWOIIW-BAGYTPMASA-N 416.587 3.166 0 40 HGAB CCOC(=O)c1ccc(NC(=O)c2ccc(C)c(NS(C)(=O)=O)c2)c(Cl)c1 44839501 ZENWYTBYOSHPER-UHFFFAOYSA-N 410.879 3.449 0 40 HGAB O=C(CCNC(=O)[C@H]1CC(c2ccccc2)=NO1)Nc1ccc(Br)cc1 48303026 BQPMPGKCAMVBIF-QGZVFWFLSA-N 416.275 3.087 0 40 HGAB Cc1ccc(C(=O)Nc2ccc(OC(C)C)cc2)cc1S(=O)(=O)N1CCOCC1 49226728 NSTMHFAQALNGCO-UHFFFAOYSA-N 418.515 3.055 0 40 HGAB C[C@H](C(=O)NCC(F)(F)F)N(c1ccccc1)S(=O)(=O)c1ccccc1F 49580958 FSROSEQHYRSGCG-GFCCVEGCSA-N 404.385 3.088 0 40 HGAB COc1ccc(OC)c(NC(=O)CN2CCN(c3cc(Cl)ccc3C)CC2)c1 55087859 QJZXPBKVIPZLJN-UHFFFAOYSA-N 403.910 3.426 0 40 HGAB CCN(C(=O)COC(=O)CNC(=O)c1ccc(Cl)cc1Cl)C1CCCCC1 57556890 FTTRWKVEBIFLSL-UHFFFAOYSA-N 415.317 3.448 0 40 HGAB CC(=O)NCc1ccc(-c2csc(NC(=O)CNC(=O)CC3CCCCC3)n2)o1 58218904 WHCUAGOAQUGUQJ-UHFFFAOYSA-N 418.519 3.064 0 40 HGAB CC(C)COc1ccc(S(=O)(=O)N2CCC(c3n[nH]c(C4CC4)n3)CC2)cc1 58246695 RSRDNYPGWWMGIS-UHFFFAOYSA-N 404.536 3.285 0 40 HGAB CCCNC(=O)c1nnn(-c2cccc3c2CCN(Cc2ccc(F)cc2)C3)c1C 69895171 QSYHSAONWURUKS-UHFFFAOYSA-N 407.493 3.413 0 40 HGAB O=C(Cn1nc(N2CCC(Cc3ccccc3)CC2)ccc1=O)NCc1ccccc1 71282985 LIGNXQNJTOTSEW-UHFFFAOYSA-N 416.525 3.019 0 40 HGAB O=C(CN1CC(=O)Oc2ccc(Cl)cc21)Nc1nc(-c2ccncc2)cs1 71288630 BSCLOLDEOLXLHI-UHFFFAOYSA-N 400.847 3.223 0 40 HGAB COC(=O)C[C@@H](c1ccc(-c2ccc(C(=O)OC)cc2)o1)c1c(O)cc(C)[nH]c1=O 72405512 JTORLJONCNGOTQ-HNNXBMFYSA-N 411.410 3.131 0 40 HGAB O=C(N1CCN(Cc2ccc(Br)cc2)CC1)C(F)(F)Br 85397142 RRGVQNQAKSMKKG-UHFFFAOYSA-N 412.072 3.081 0 40 HGAB COc1ccc(S(=O)(=O)N2CC(NC(=O)Nc3cccc4ccccc34)C2)cc1 89453886 UEAITARKWZUPIP-UHFFFAOYSA-N 411.483 3.043 0 40 HGAB O=C(OCn1nnc2ccccc2c1=O)C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2 101636855 HHLGJFFJPYGJIQ-NYYJTOMGSA-N 418.291 3.026 0 40 HGAB Cc1cc(NC(=O)[C@@H](C)N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c(C)cc1Br 102090268 ISXWINLQHYMTPR-HVCLXXKLSA-N 417.303 3.200 0 40 HGAB CC[C@H](C(=O)NCCCc1ccccc1OC)N(c1ccc(C)cc1)S(C)(=O)=O 219097138 LBTMMKQJORBJLP-HXUWFJFHSA-N 418.559 3.297 0 40 HGAB CC[C@@H](C(=O)N[C@H](C)COc1ccccc1C)N(c1ccccc1F)S(C)(=O)=O 220605516 YOHHQOSMNGDNBD-AEFFLSMTSA-N 422.522 3.262 0 40 HGAB CC[C@H](C)NS(=O)(=O)c1ccc(OCC(=O)Nc2ccc3sncc3c2)cc1 222659962 BJVLEMQZBLGBGJ-ZDUSSCGKSA-N 419.528 3.391 0 40 HGAB CC[C@@H](NC(=O)COc1ccc(N(C)S(C)(=O)=O)cc1)c1ccc(OC)c(C)c1 222890365 ONZDHGKLCVXFOU-LJQANCHMSA-N 420.531 3.046 0 40 HGAB CN(C)CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1cccnc1 223212566 JNNWRZLVDBMYOS-RTWAWAEBSA-N 406.559 3.192 0 40 HGAB COC(=O)c1cc(S(=O)(=O)Nc2ccccc2C(=O)NCC(C)C)ccc1Cl 223829371 KDBIWTOSRSMMIW-UHFFFAOYSA-N 424.906 3.313 0 40 HGAB CCCc1ccc(OCCNS(=O)(=O)c2ccc(N3CCCC3=O)c(C)c2)cc1 224376417 BHYBSLBPJSLLPX-UHFFFAOYSA-N 416.543 3.432 0 40 HGAB COCc1cccc(NC(=O)CCCN(c2ccc(OC)cc2)S(C)(=O)=O)c1 224695700 NSNSLIXQMKZCBM-UHFFFAOYSA-N 406.504 3.027 0 40 HGAB CS(=O)(=O)N(c1ccc(F)cc1)[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)O 225162152 VIKATJYMLSAOMB-HNNXBMFYSA-N 405.369 3.306 0 40 HGAB O=C(CCCN1CCCCCC1)N1CCO[C@@H](c2cccc(Nc3cnccn3)n2)C1 257335160 YIXVKYDQQGRCAN-HXUWFJFHSA-N 424.549 3.171 0 40 HGAB COCCCNC(=S)Nc1nc(N2CCCCC2)cc(N2CCCC[C@H]2C)n1 260735087 FKFBGSYDOIXLLW-MRXNPFEDSA-N 406.600 3.169 0 40 HGAB CC(C)n1cnc([C@@H]2CN(Cc3ccco3)C[C@]23CCN(Cc2cccnc2)C3=O)c1 306125589 CVBLCHSCFSZWEY-XUZZJYLKSA-N 419.529 3.470 0 40 HGAB Cc1nc2c(n1C(C)C)CN(C(=O)c1ccco1)CC21CCN(C(=O)N(C)C)CC1 306125666 CXIVUYJCVGFRRH-UHFFFAOYSA-N 413.522 3.037 0 40 HGAB Cc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3C)C2)cc1 408660280 NISUFCMPEHZFCA-OAHLLOKOSA-N 400.862 3.492 0 40 HGAB Cc1cccc(CNC(=O)c2ccccc2NC(=O)C(=O)NCc2cccs2)c1 408709755 HKUVBRCLJINAKK-UHFFFAOYSA-N 407.495 3.241 0 40 HGAB CCOCCCNC(=O)CN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccccc1 409119469 SPCRPAZQBQMCPE-UHFFFAOYSA-N 424.950 3.387 0 40 HGAB CCCCNC(=O)CN1C(=O)S/C(=C\c2cc(Cl)c(O)c(OCC)c2)C1=O 409212882 RWAXBVIBVBLPSQ-ZROIWOOFSA-N 412.895 3.397 0 40 HGAB Cc1nc(CO[C@@H]2CCN(C(=O)Cc3ccn(C)n3)C[C@H]2Cc2ccccc2)cs1 585113450 IZFVBJYEHDCBCB-DENIHFKCSA-N 424.570 3.404 0 40 HGAB CC(C)c1nccc(C[C@@H]2[C@@H](CO)[C@H](O)C[C@H]2NCc2ccccc2C(F)(F)F)n1 604382115 FGOSTAYPSCONIB-HNBVOPMISA-N 423.479 3.309 0 40 HGAB biogenic,in-vitro Cc1nn(C)cc1[C@H]1CCCN1C(=O)c1c(C)nc2ccc(Br)cn12 684458897 KDWZAFNYARSDCB-OAHLLOKOSA-N 402.296 3.424 0 40 HGAB COC(=O)c1ccc([C@@H]2C3=C(CN(C(C)=O)C3=O)Nc3cccc4[nH]cc2c34)cc1 1547138495 BHHFWOHJIDVLBN-IBGZPJMESA-N 401.422 3.155 0 40 HGAB biogenic COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccc(Cl)cc3)C2)cc1 799991 HFJAZAPMBOEXQB-INIZCTEOSA-N 422.934 3.066 0 40 HGAB O=C(Nc1ccccc1I)[C@@H]1CC(=O)N(c2ccccc2)C1 1107892 KFZHQWFKYSJBTE-GFCCVEGCSA-N 406.223 3.283 0 40 HGAB CCOc1cc(C(=O)OCc2cc(=O)n3ccsc3n2)cc(OCC)c1OCC 3537727 AZQWFAJKAQWOTJ-UHFFFAOYSA-N 418.471 3.309 0 40 HGAB CNS(=O)(=O)c1ccc(CCC(=O)OCc2ccccc2C(F)(F)F)cc1 21484559 TXYYILYDCRZFTD-UHFFFAOYSA-N 401.406 3.290 0 40 HGAB Cc1cc2occ(CC(=O)NN3C(=O)N[C@](C)(c4ccco4)C3=O)c2cc1C(C)C 21553075 GXOCEBTWYHSBMA-JOCHJYFZSA-N 409.442 3.499 0 40 HGAB Cc1cccc2cc(CN(C(=S)NCCCN(C)C)C3CCCC3)c(=O)[nH]c12 4131875 JPIDUOAPZLSYQF-UHFFFAOYSA-N 400.592 3.407 0 40 HGAB Cc1cc(C(=O)Nc2cccc(S(=O)(=O)N3CCc4sccc4C3)c2)no1 32801597 VNMQCERPXGOLAR-UHFFFAOYSA-N 403.485 3.044 0 40 HGAB CC(C)(C)C(=O)N[C@@H](N1C[C@H]2C[C@H](C1)c1cccc(=O)n1C2)C(Cl)(Cl)Cl 102472588 PPEDLGLAIQXYQN-JMSVASOKSA-N 420.768 3.126 0 40 HGAB COc1ccc(OC)c(S(=O)(=O)N2CCn3cccc3[C@@H]2c2ccc(F)cc2)c1 4853934 NGFQFCGJWHDPGP-NRFANRHFSA-N 416.474 3.438 0 40 HGAB COc1ccc(NC(=O)CN2C(=O)C(c3ccc(F)cc3)=NC2(C)C)cc1Cl 6808761 WHTHOLASNUATPF-UHFFFAOYSA-N 403.841 3.494 0 40 HGAB CCn1c(Cn2nc(C(F)F)cc2C(F)F)nnc1SCC(=O)NCC(C)C 2792570 BVJJADCIZWCBAI-UHFFFAOYSA-N 422.452 3.282 0 40 HGAB COc1cc(OC)c(N2C[C@@H](C(=O)N3CCc4ccccc4C3)CC2=O)cc1Cl 32975411 SNBFAUNGKWFXBP-INIZCTEOSA-N 414.889 3.295 0 40 HGAB Cc1c(I)cnn1CCC(=O)N[C@H](C)[C@@H]1C[C@@H]2CC[C@@H]1C2 101996928 LDQPVAHCGFAWEQ-ZRJCITRHSA-N 401.292 3.127 0 40 HGAB C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O 8214948 BHQCQFFYRZLCQQ-LBOHCBQQSA-N 408.579 3.449 0 40 HGAB biogenic NC(=O)c1cc(-c2ccccc2)sc1NC(=O)CSc1nnc2ccccn12 2886813 AHDJXFNNMIQBPM-UHFFFAOYSA-N 409.496 3.288 0 40 HGAB C[C@@H]1C[C@@H](C)CN(Cc2csc(NC(=O)CCNC(=O)Cc3ccccc3)n2)C1 22296905 XULCDMNTADFIOL-IAGOWNOFSA-N 414.575 3.309 0 40 HGAB O=C(NC1CCN(Cc2ccccc2)CC1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 12389556 RDUBRJPPFZPBSB-SFHVURJKSA-N 411.933 3.474 0 40 HGAB COc1cc(C(=O)OCC(=O)Nc2ccccc2)c(Br)c(OC)c1OC 958160 HPMFWMGXBWVMHM-UHFFFAOYSA-N 424.247 3.270 0 40 HGAB CCNC(=O)COc1ccc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)cc1 107875837 GWTPJZUBRHITAA-UHFFFAOYSA-N 403.287 3.309 0 40 HGAB CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccccc1C(=O)O 3189811 BRJNFERKOINKQG-UHFFFAOYSA-N 400.250 3.347 0 40 HGAB O=C1c2ccccc2C(=O)N1Cc1cnc(N2CCN(c3ccccc3)CC2)s1 1399366 UPCFJYFEIMDWFF-UHFFFAOYSA-N 404.495 3.266 0 40 HGAB CCOC(=O)[C@@H]1C(=O)NC(c2ccccc2)=N[C@@H]1c1cccc(Br)c1 1404401 FJXJXEFRRZNOCL-JKSUJKDBSA-N 401.260 3.246 0 40 HGAB COc1ccc(N2C(=O)C[C@H](N3CCN(c4cc(Cl)ccc4C)CC3)C2=O)cc1 25286415 HWXXLJMBWUMTMO-FQEVSTJZSA-N 413.905 3.111 0 40 HGAB CCOc1ccc(C(=O)N[C@H](C(=O)N2CCN(C)C[C@@H]2c2ccccc2)C(C)C)cc1 25541111 FEZUYQWDYWVXPC-PKTZIBPZSA-N 423.557 3.355 0 40 HGAB O=C(c1ccccc1)N1CCN(C(=O)C2(c3ccc(Br)cc3)CC2)CC1 25611413 OKTFBCOEGCBXKY-UHFFFAOYSA-N 413.315 3.465 0 40 HGAB CCOc1ccc(NC(=O)COC(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)cc1 1943685 UMRWHRFILYKSIO-IZZDOVSWSA-N 415.442 3.306 0 40 HGAB C[C@@H](OC(=O)c1cc2sc3ccccc3c2s1)C(=O)N1CCC[C@H](C(N)=O)C1 27514793 LRZTVUVMTZGANT-NEPJUHHUSA-N 416.524 3.385 0 40 HGAB CC(=O)c1ccc(N2CCN([C@@H](C)C(=O)Nc3ccc(F)c(F)c3F)CC2)cc1 58160738 RLINDOCCBJTUOF-ZDUSSCGKSA-N 405.420 3.456 0 40 HGAB CCOc1ccc(C(C)=O)cc1COC(=O)c1sccc1S(=O)(=O)NC1CC1 10563847 CYIFPFCIGXSRHO-UHFFFAOYSA-N 423.512 3.147 0 40 HGAB CCc1ccc([C@H](C)NC(=O)C(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)cc1 48355354 KSVANXMVCZEYLR-LBPRGKRZSA-N 408.907 3.122 0 40 HGAB COc1cc(C(=O)Nc2ncc3c(n2)C[C@H](c2ccco2)CC3=O)cc(OC)c1OC 2407178 CNEQSTVNPQFLPW-LBPRGKRZSA-N 423.425 3.260 0 40 HGAB C[C@H]1CN(C(=O)CSc2nnc(-c3ccncc3)n2-c2ccccc2)C[C@H](C)O1 3506057 WLQVDDZRPISVKF-HOTGVXAUSA-N 409.515 3.057 0 40 HGAB O=C(NCc1ccncc1)c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1 408879312 DBBQNNGBJUAVMA-UHFFFAOYSA-N 400.526 3.329 0 40 HGAB c1ccc(-n2nnnc2Oc2cccc(CNCc3ccc4c(c3)OCO4)c2)cc1 13717658 NRBKKZALIPTOCA-UHFFFAOYSA-N 401.426 3.473 0 40 HGAB Cc1cc(C)c(NC(=O)COC(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1 4328175 RBMXIQAQPKXGSY-UHFFFAOYSA-N 412.530 3.426 0 40 HGAB CCn1c(SCC(=O)N[C@@H](Cc2ccccc2)C(C)=O)nnc1-c1ccccc1 5312173 QJCJMSLRDDSARN-IBGZPJMESA-N 408.527 3.374 0 40 HGAB C[C@H](NC(=O)CSc1nnc(-c2ccncc2)n1C1CC1)c1ccc2c(c1)OCO2 14126049 IDGHZEFMFVCMLV-ZDUSSCGKSA-N 423.498 3.373 0 40 HGAB CCCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](C(=O)c1ccc(F)cc1)N1c3ccccc3C=C[C@H]21 4623079 NMMRVAGDAWQASM-NCYKPQTJSA-N 404.441 3.304 0 40 HGAB COc1ccc(OCc2nc3c4c(C)c(C)n(CCCN(C)C)c4ncn3n2)cc1 6755675 JXMJMKJOZGBRMI-UHFFFAOYSA-N 408.506 3.235 0 40 HGAB Cc1ccc(CNc2nc(-c3cccnc3)nn2S(=O)(=O)c2ccccc2)cc1 4816463 DRHKMTDRSXOVPO-UHFFFAOYSA-N 405.483 3.498 0 40 HGAB COc1ccc(-c2c(-c3ccc(OC)c(F)c3)[nH]c3c2c(=O)n(C)c(=O)n3C)cc1 15085054 NOEKSPSDJNVBTJ-UHFFFAOYSA-N 409.417 3.056 0 40 HGAB COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cccc(C(F)(F)F)c1 7671473 RSBZOPSNULGDNC-UHFFFAOYSA-N 405.376 3.231 0 40 HGAB Cc1ccc(NC(=O)CN(C)C(=O)c2ccc(Cn3nnc4ccccc43)cc2)cc1 7960865 XNTVPQWDCVUCED-UHFFFAOYSA-N 413.481 3.499 0 40 HGAB COc1ccc([C@@H]2CCCCCN2C(=O)CNC(=O)c2ccc3c(c2)OCO3)cc1 9449753 YJFIFHQEEQXDBM-IBGZPJMESA-N 410.470 3.298 0 40 HGAB COc1ccc(Cc2nnc3sc([C@H]4COc5ccccc5O4)nn23)cc1OC 9486195 JDUGGTCBQJYRLR-QGZVFWFLSA-N 410.455 3.306 0 40 HGAB Cc1cccc(-c2nn(-c3ccccc3)cc2C(=O)NC2CCS(=O)(=O)CC2)c1 71957829 HZTUSPWPTXSSDA-UHFFFAOYSA-N 409.511 3.155 0 40 HGAB Cc1ccc(Oc2ccc(Cl)cc2NCC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 9689888 WWMHDKTZPRRUBI-OAHLLOKOSA-N 408.907 3.156 0 40 HGAB CC[C@H](NC(=O)c1cccc(-c2nnc(CS(C)(=O)=O)o2)c1)c1cccs1 95465186 JTDMVWOUZUMDJL-AWEZNQCLSA-N 405.501 3.224 0 40 HGAB Cc1ccccc1SCC(=O)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 89696852 DMIJXAHIYHTNSH-LFIBNONCSA-N 416.568 3.232 0 40 HGAB COC(=O)CN1C(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(O)cc1 409059336 WMUMZSDPYKAJEA-YBEGLDIGSA-N 402.859 3.193 0 40 HGAB Cc1ccc(C(=O)[C@H]2[C@@H]3C(=O)N(c4cc(C)cc(C)c4)C(=O)[C@@H]3[C@H]3CCCN32)cc1 35380445 IWNOZIKSIZMADR-GXRSIYKFSA-N 402.494 3.447 0 40 HGAB COc1ccc(C(=O)COC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3C)C2)cc1 408659524 VWPRFCDSFNBHGL-OAHLLOKOSA-N 401.846 3.436 0 40 HGAB CC(=O)Nc1ccc(N2C(=O)C/C(=C\c3cccc(Br)n3)C2=O)cc1 71279446 JJTIHUBZALICIM-FMIVXFBMSA-N 400.232 3.149 0 40 HGAB C[C@H]1C[C@H]1C(=O)N1CCC(c2nc3c(c(=O)[nH]2)CN(CC2CCCCC2)CC3)CC1 72398737 DJNQQKJQDPXHIO-QFBILLFUSA-N 412.578 3.070 0 40 HGAB COc1ccc(CNC(=O)C[C@@H]2C[C@@H](C(C)C)[C@H](CNS(C)(=O)=O)C=C2C)cc1 30880575 GXWMPDAXCUSMDA-ZJOUEHCJSA-N 422.591 3.105 0 40 HGAB biogenic,in-vitro COc1ccc([C@@H]2[C@H](C(=O)NCCn3cccc3)c3ccccc3C(=O)N2C)cc1 70666591 IAAGRLKLWQAMRB-FGZHOGPDSA-N 403.482 3.224 0 40 HGAB biogenic O=C(O)[C@@]12C[C@@H]3C[C@@H](C[C@@](n4ncc(NCc5ccco5)c(Cl)c4=O)(C3)C1)C2 217519341 CWSUGFSITARRHX-DJZHIFDRSA-N 403.866 3.482 0 40 HGAB CCOC(=O)c1sc(NC(=O)[C@@H]2CCCN2c2nc3ccccc3o2)nc1C 669609119 RMQZTFGBKFIIOU-ZDUSSCGKSA-N 400.460 3.377 0 40 HGAB CCOc1ccc(CNC(=O)CN(C)S(=O)(=O)c2ccc3ccccc3c2)cc1 219704073 VVEOKHWWRQHUGF-UHFFFAOYSA-N 412.511 3.175 0 40 HGAB CCCSc1nnc(NC(=O)CN(c2ccccc2CC)S(C)(=O)=O)s1 224435129 XVCRIZRLZBWOAU-UHFFFAOYSA-N 414.578 3.007 0 40 HGAB COc1ccc(CN(C(=O)COc2ccccc2OC)[C@H](C)C(=O)NC(C)C)cc1 225666665 CIBISPHKOZEHQD-QGZVFWFLSA-N 414.502 3.025 0 40 HGAB COc1ccc(CN(C(=O)C(C)C)[C@H](C)C(=O)NCc2ccc3c(c2)OCO3)cc1 222986703 FUUNVJIQPIIQTK-MRXNPFEDSA-N 412.486 3.113 0 40 HGAB CCOc1ccc(CN(C)C(=O)c2ccc(N3CCCCS3(=O)=O)cc2)cc1 224511297 OEUZUUDPWUBZSH-UHFFFAOYSA-N 402.516 3.288 0 40 HGAB CCOc1ccc(C(=O)NCC(C)C)cc1CN(C)S(=O)(=O)c1ccccc1 224809082 PPIRTMOSACEGOV-UHFFFAOYSA-N 404.532 3.292 0 40 HGAB Cc1ccc(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1N1CCCC1=O 223788983 GXZJFURTBXFIRK-UHFFFAOYSA-N 413.499 3.049 0 40 HGAB Cc1cccc(/C=C2/SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)c1 146995424 OEJUADLQIHTYGI-HMMYKYKNSA-N 421.522 3.380 0 40 HGAB COC(=O)c1nnn2c1CN(C(=O)OC(C)(C)C)[C@@H](CSCc1ccccc1)C2 91690008 KNFLUSLOZAJXSG-OAHLLOKOSA-N 418.519 3.117 0 40 HGAB CCN1CCn2c(-c3cccc(F)c3)cnc2C12CCN(C(=O)c1cc(C)on1)CC2 96144994 PCAMWHICFIHPMT-UHFFFAOYSA-N 423.492 3.453 0 40 HGAB CC1(C)[C@@H]2C[C@@H]3[C@@H](c4ccc(OCCN5CCOCC5)cc4)OCC[C@@]3(C2)[C@@H]1O 257254296 KCNAAAKUQFBWFH-XZDYGSCQSA-N 401.547 3.272 0 40 HGAB NC(=O)C[C@H]1CN(C(=O)c2ccc(F)c(Cl)c2)CC[C@@H]1Oc1ccc(F)cc1 257208978 BOJFCNUEAQUGAJ-UGSOOPFHSA-N 408.832 3.403 0 40 HGAB Cc1cccnc1C(=O)N1CCC(COc2cccc(Cl)c2)(CC(N)=O)CC1 257341262 ZJOQIFIYDJQCII-UHFFFAOYSA-N 401.894 3.220 0 40 HGAB Cc1cccc(Nc2cccc([C@@H]3CN(C(=O)Cn4ccnc4C(C)C)CCO3)n2)n1 257224064 FAEFNMRNPVURSZ-IBGZPJMESA-N 420.517 3.449 0 40 HGAB COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)N(c2cccc(C)c2)S(C)(=O)=O)c1 260770960 VGUMQMAKYVGTNA-HOTGVXAUSA-N 420.531 3.044 0 40 HGAB Cc1ccc(OC[C@@H](O)CNc2c(C)c(C)nc3cc(C4CCOCC4)nn23)cc1 72337417 PFCASNTTWNKKID-IBGZPJMESA-N 410.518 3.400 0 40 HGAB O=C(NCc1ccccc1Cl)c1ccc(Cn2nnc3ccccc3c2=O)cc1 197632291 JNNQIKHYYSFCIE-UHFFFAOYSA-N 404.857 3.423 0 40 HGAB Cc1nc2ccc(C(=O)N3CCC[C@@H](n4nc(-c5ccco5)ccc4=O)C3)cc2[nH]1 12087355 KVTZQMCGYYHXNW-MRXNPFEDSA-N 403.442 3.165 0 40 HGAB CC(C)(C)c1nn(-c2ccccc2)c2[nH]c(=O)c(CNCCCN3CCCC3=O)cc12 12186363 LLNSAPYHPOZRPP-UHFFFAOYSA-N 421.545 3.113 0 40 HGAB COc1ccc(CCNC(=O)[C@H]2CCCN2C(=O)Nc2ccc(F)cc2)cc1OC 12480743 DYXCMNPBGSOMHC-GOSISDBHSA-N 415.465 3.198 0 40 HGAB COC(=O)c1c(COC(=O)c2nccnc2N)nc2ccccc2c1-c1ccccc1 14060185 ZQSPSOZXNCTCOB-UHFFFAOYSA-N 414.421 3.418 0 40 HGAB CCOC(=O)C1=C(COC(=O)c2ccc(F)cc2F)NC(=O)N[C@@H]1c1cccs1 14067315 WYVKLMNHBOQJEX-MRXNPFEDSA-N 422.409 3.054 0 40 HGAB COc1ccc(S(=O)(=O)NCc2ccc(CN3CCCCC3)cc2)cc1OC 15357215 MTYZFKNEZLKGBO-UHFFFAOYSA-N 404.532 3.168 0 40 HGAB Cc1cc(-c2cc(O)nnc2C2CCN(C(=O)c3ccc(F)cc3F)CC2)on1 19121220 ZKMNPXNUBRSVEH-UHFFFAOYSA-N 400.385 3.444 0 40 HGAB Cc1nc(C[C@H](NS(=O)(=O)c2ccc(Cl)cc2)c2ccc(F)cc2)cc(=O)[nH]1 19285397 AJKWPAODGXLBRS-SFHVURJKSA-N 421.881 3.133 0 40 HGAB O=C(Cc1ccc2c(c1)OCO2)N1CCC(c2nc(-c3ccsc3)cc(=O)[nH]2)CC1 19345623 IOAOTKAARUDOEP-UHFFFAOYSA-N 423.494 3.176 0 40 HGAB Cc1ncsc1C(=O)N(C[C@H]1CCCO1)c1nc2c(s1)CCc1c-2cnn1C 19561988 HZRJTVGRZBLAKC-GFCCVEGCSA-N 415.544 3.233 0 40 HGAB NC(=O)c1ccc(-c2nccnc2[C@@H]2CN(Cc3ccccc3Cl)CCO2)cc1 19693204 DQQICTNYALVOJW-IBGZPJMESA-N 408.889 3.469 0 40 HGAB O=C(Nc1nc2c(s1)CCCCC2)[C@H]1CCN(S(=O)(=O)c2ccc(F)cc2)C1 19748120 FVBYTBCCUZJKLO-ZDUSSCGKSA-N 423.535 3.200 0 40 HGAB Cc1c(C(N)=O)c2ccccc2n1C(=O)c1cccc(I)c1 226366535 SAZQIIZSQILSIP-UHFFFAOYSA-N 404.207 3.342 0 40 HGAB CC(C)c1ncnc(N(C)[C@@H]2CCCN(C(=O)Cn3cnc4ccccc43)C2)c1F 1888904261 OBRVMJDWJHOVLB-MRXNPFEDSA-N 410.497 3.216 0 40 HGAB C[C@]1(C2CCN(Cc3ccccc3C(=O)O)CC2)CN(c2ccccc2)C(=O)CO1 1848356895 JYFKXQZDZFZAIX-XMMPIXPASA-N 408.498 3.419 0 40 HGAB CCOc1ccc(-c2cc(C(=O)NC3CCN(c4cc(C5CC5)[nH]n4)CC3)[nH]n2)cc1 238864576 LLXUKKYRUBOETP-UHFFFAOYSA-N 420.517 3.475 0 40 HGAB O=C1NCC2(CC=CCCOc3ccccc31)CCN(C(=O)Cc1cccnc1)CC2 2037818642 BYQHRNXDSDCDRW-UHFFFAOYSA-N 419.525 3.392 0 40 HGAB CCOCCn1ccc2c(OCC(=O)NCc3ccccc3Cl)cccc2c1=O 4584411 DIIZBGDRGUNKTC-UHFFFAOYSA-N 414.889 3.387 0 40 HGAB CCOC(=O)c1ccc(NC(=O)CSc2nnc3n2CCN3c2ccccc2)cc1 9573918 YNRUCYVXMBSQFB-UHFFFAOYSA-N 423.498 3.337 0 40 HGAB O=C(Cn1c(=O)n(-c2ccc(F)cc2)c(=O)c2oc3ccccc3c21)N1CCCCC1 9603264 GCWRISLOSRUQHL-UHFFFAOYSA-N 421.428 3.050 0 40 HGAB O=C(Nc1ccc2ncsc2c1)C1CCN(S(=O)(=O)c2cccs2)CC1 10217390 YWSBPAMUWWRQAU-UHFFFAOYSA-N 407.542 3.397 0 40 HGAB COc1ccc(OC)c(NC(=O)C[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)c1 11612514 GQEMECIZNFQTIV-INIZCTEOSA-N 418.515 3.276 0 40 HGAB CCOC(=O)c1cnn(-c2ccc(C(=O)Nc3ccc(C(F)(F)F)cc3)cn2)c1N 21774986 POVNXRVREOPEAK-UHFFFAOYSA-N 419.363 3.297 0 40 HGAB O=C(c1ccc(C(F)(F)F)nc1)N1CCC(Cn2cnc3ccccc3c2=O)CC1 1775974147 XBPNTJAROSOMNQ-UHFFFAOYSA-N 416.403 3.363 0 40 HGAB CCCOc1ccccc1/C=c1/sc2nc([C@@H]3COc4ccccc4O3)nn2c1=O 13811437 VPOWIBXPRYRKLZ-LPGQDOADSA-N 421.478 3.000 0 40 HGAB C[C@H]1C[C@H](C)CN(Cc2csc(NC(=O)C3CCN(C(=O)C4CC4)CC3)n2)C1 40037704 YMRQDVDTDGEMJU-GJZGRUSLSA-N 404.580 3.208 0 40 HGAB O=C(NCc1cccc(OCC(F)(F)F)c1)c1ccc(=O)n(-c2ccc(F)cc2)n1 40111901 HKHLBJHJIMXIRH-UHFFFAOYSA-N 421.350 3.243 0 40 HGAB COc1ccc(CNC(=O)c2ccc3c(=O)n(-c4cccc(OC)c4)cnc3c2)cc1 32089203 GAJNBKGFWHUDQS-UHFFFAOYSA-N 415.449 3.333 0 40 HGAB Cc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)Nc2cccc(O)c2)cc1 949138 QDCCQKRPFNHKPA-JOCHJYFZSA-N 422.506 3.455 0 40 HGAB Cc1ccc(S(=O)(=O)NC(=O)N2CCN(c3cc(Cl)ccc3C)CC2)cc1 1017450 MQADWDYJBMZGER-UHFFFAOYSA-N 407.923 3.177 0 40 HGAB C[C@H]1CCC[C@@H](C)N1S(=O)(=O)c1ccc(S(=O)(=O)NCc2ccccc2)cc1 1368322 HVISMKKYMZVUSQ-CALCHBBNSA-N 422.572 3.117 0 40 HGAB CCOc1cc([C@H]2c3c(oc4c(C)cc(C)cc4c3=O)C(=O)N2CCO)ccc1O 2241185 UAMPPSSVPVYMSY-IBGZPJMESA-N 409.438 3.052 0 40 HGAB Cc1cccc(N2CCn3c2nc2c3c(=O)n(Cc3cc(C)ccc3C)c(=O)n2C)c1 3015735 GMPHKIKXZXLPQO-UHFFFAOYSA-N 415.497 3.022 0 40 HGAB Cc1ccc([C@]2(C)NC(=O)N(CC(=O)NCc3ccc(Cl)cc3Cl)C2=O)cc1 3461050 GLIJZFYFYBSWTG-FQEVSTJZSA-N 420.296 3.385 0 40 HGAB Nn1c(SCC(=O)NCCC2=CCCCC2)nnc1-c1ccc(OC(F)F)cc1 3533904 VHDMBVHSVWLHEP-UHFFFAOYSA-N 423.489 3.359 0 40 HGAB Cc1ccc2[nH]c(=O)c(CN(CCCO)S(=O)(=O)c3ccc(Cl)cc3)cc2c1 4162040 VTGREIFMSDSPBD-UHFFFAOYSA-N 420.918 3.063 0 40 HGAB CC(=O)c1sc(NC(=O)CN2C(=O)c3ccccc3C2=O)nc1-c1ccccc1 4194474 OWXGIARLKYGUQD-UHFFFAOYSA-N 405.435 3.247 0 40 HGAB COc1ccc(C(=O)NC[C@@H](c2ccco2)S(=O)(=O)c2ccccc2)cc1OC 4518971 BSJQBJUOZWZOMV-FQEVSTJZSA-N 415.467 3.242 0 40 HGAB CC1CCN(Cc2ccc(-c3nnn(CC(=O)Nc4ccc(F)cc4)n3)cc2)CC1 4907613 WWPUZRDIPSGQOS-UHFFFAOYSA-N 408.481 3.350 0 40 HGAB CN1CCN(c2ccc(-c3cccc(NC(=O)c4ccc(F)c(F)c4)c3)nn2)CC1 4939851 XTCPOFXGJJYBMA-UHFFFAOYSA-N 409.440 3.426 0 40 HGAB COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2C(F)(F)F)cc1C 6425244 YBKFZBCNQKBNNP-UHFFFAOYSA-N 416.421 3.282 0 40 HGAB Cc1ccc(NC(=O)CN2C[C@H](C(=O)N3CCCCC3)Oc3ccccc32)cc1F 7252013 HHRAWZWOHGIUFW-OAQYLSRUSA-N 411.477 3.353 0 40 HGAB O=C(CCNS(=O)(=O)c1ccc(Cl)cc1)NCCSCc1ccccc1 7642952 GDUDAMPTCPMGKQ-UHFFFAOYSA-N 412.964 3.058 0 40 HGAB COc1ccc(CN(C)[C@H](C)C(=O)N(C)CC(=O)Nc2ccc(C)cc2)cc1F 7978294 ALGIRWCEHCXFSY-MRXNPFEDSA-N 401.482 3.060 0 40 HGAB C[C@@H]1C[C@H]1c1ccc(CN(C)C(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)o1 8750066 RSZGKKCQWAGIHC-DNVCBOLYSA-N 402.516 3.460 0 40 HGAB CC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)OCC(=O)C(C)(C)C)CC2)cc1 8884468 FFVWWCMQEPVNRN-UHFFFAOYSA-N 409.548 3.369 0 40 HGAB CCOc1ccccc1NC(=O)NCCS(=O)(=O)c1c(C)[nH]c2ccccc12 8923939 VNHDVODLEVCCIY-UHFFFAOYSA-N 401.488 3.470 0 40 HGAB COC(=O)c1ccc(NC(=O)CSc2ccc3nnc(-c4ccccc4)n3n2)cc1 9414813 IHYBUUCFTZBQGB-UHFFFAOYSA-N 419.466 3.309 0 40 HGAB O=C(Nc1cccc(-c2nnn[nH]2)c1)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 9453817 XIMDBXFPDNSIDP-OAHLLOKOSA-N 410.865 3.011 0 40 HGAB CCCNS(=O)(=O)c1cc(C(=O)Nc2cccc(OC)c2)ccc1N1CCCC1 10009892 XWAONAAEQCITAS-UHFFFAOYSA-N 417.531 3.236 0 40 HGAB COc1cc(/C=C2\N=C3SCN(c4ccccc4)CN3C2=O)cc(OC)c1OC 12322618 SGDNELFEDXTETM-SXGWCWSVSA-N 411.483 3.420 0 40 HGAB CCCNC(=O)[C@@H](C)OC(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 12336233 SYFDCTXZINBLGO-CYBMUJFWSA-N 414.424 3.016 0 40 HGAB Cc1cccc(-c2nnc(S)n2CC(=O)NC[C@@H](c2ccccc2)N2CCCC2)c1 12553740 XQNKNNMZVOOHRJ-FQEVSTJZSA-N 421.570 3.496 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(N(C)C)c(NC(=O)Cc2cccc(F)c2)c1 12800506 BSJXLXQTXVJUOF-UHFFFAOYSA-N 407.511 3.103 0 40 HGAB CSc1nc2nc(C)c(CC(=O)Nc3ccccc3Br)c(C)n2n1 12886801 HYJFMPCWSAUKIL-UHFFFAOYSA-N 406.309 3.407 0 40 HGAB C[C@H](C(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1)N1CCC(O)CC1 13004559 HPXYSSKTIMXCJF-AUUYWEPGSA-N 401.894 3.456 0 40 HGAB O=C(CSc1nnc(NC[C@H]2CCCO2)s1)c1cccc(N2CCCC2=O)c1 14141962 YIOVNQUVPJKANP-OAHLLOKOSA-N 418.544 3.231 0 40 HGAB Cc1cc(NC(=O)[C@@H](C)OC(=O)C[C@H]2Sc3ccc(Cl)cc3NC2=O)on1 14146084 ULWFLSAPLJDIDT-NOZJJQNGSA-N 409.851 3.010 0 40 HGAB CC1CCN(S(=O)(=O)c2ccc(C(=O)NCC(C)(C)N3CCCCC3)cc2)CC1 14182839 UGAXORZPJASFJJ-UHFFFAOYSA-N 421.607 3.102 0 40 HGAB Cc1cccc(C)c1OC[C@@H](O)Cn1cnc2ccc(Br)cc2c1=O 14185342 HFOOOFJYWRAPSJ-HNNXBMFYSA-N 403.276 3.216 0 40 HGAB Cc1ccc(S(=O)(=O)N[C@H](C(=O)N[C@H](C)c2ccc(F)c(F)c2)C(C)C)cc1 14229256 BPHIJUIEABEOAI-KUHUBIRLSA-N 410.486 3.454 0 40 HGAB O=C(CCc1c[nH]c2ccccc12)OCC(=O)N1CCN(Cc2ccccc2F)CC1 15513049 CXAUZBOBPVKASX-UHFFFAOYSA-N 423.488 3.127 0 40 HGAB CCc1cccc(CC)c1NC(=O)c1ccc(N2C(=O)[C@H](C)CS2(=O)=O)cc1 15842868 LTZXVUFTCBZVOR-CQSZACIVSA-N 400.500 3.376 0 40 HGAB O=C(CNS(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1)c1ccccc1 18197895 CIILGYXIVDCPFB-UHFFFAOYSA-N 412.442 3.239 0 40 HGAB COc1ccc([C@H](c2ccccc2)N2CCN(C(=O)[C@H](C)n3ccnc3)CC2)cc1 19079062 XDNJWNOFZUCUIB-CVDCTZTESA-N 404.514 3.387 0 40 HGAB COc1ccc2c(c1)OC1(CCN(C[C@H](O)c3ccc(F)c(F)c3)CC1)C[C@H]2O 19563027 BAGWHZIHWFDRKW-UXHICEINSA-N 405.441 3.358 0 40 HGAB COc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cncnc3C)CC2)c1 19746995 LKNZMHVOQZOOAB-QFIPXVFZSA-N 422.529 3.341 0 40 HGAB O=C(Cn1cc(NC(=O)c2ccc(F)cc2)cn1)NCc1ccccc1N1CCCC1 19749493 SCSPQRMXDNUCEH-UHFFFAOYSA-N 421.476 3.191 0 40 HGAB COc1ccc(CCC(=O)N2CCCC[C@H]2c2nc(C)ncc2C(=O)NC2CC2)cc1 19767047 CIQUFZDKPZVHDK-NRFANRHFSA-N 422.529 3.372 0 40 HGAB Cc1ccc(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@@]4(C(=O)Nc5c4ccc(C)c5C)[C@@H]3C2=O)cc1 20611323 NXZSRMPTWNKCNO-PBQROFAYSA-N 415.493 3.043 0 40 HGAB biogenic O=C(CNc1ccc2c(c1)OC(F)(F)O2)Nc1cc(Cl)ccc1-n1cncn1 21700270 VBZPCLWCWSYEIU-UHFFFAOYSA-N 407.764 3.293 0 40 HGAB CC(=O)Nc1ccc(-n2ccc3nc(N4CCc5ccccc5C4)ncc3c2=O)cc1 22608875 HCSSJWNOZLGDCD-UHFFFAOYSA-N 411.465 3.302 0 40 HGAB CCC[C@@H](C)NC(=O)C1CCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)CC1 24989663 FFVOOAKLXMSORP-CYBMUJFWSA-N 422.469 3.291 0 40 HGAB CCOC(=O)c1c(N[C@H](NC(C)=O)C(=O)c2ccccc2)sc(C(C)=O)c1C 27015762 WDNBJHBZYXMWAH-SFHVURJKSA-N 402.472 3.193 0 40 HGAB CC(C)[C@@H](NC(=O)c1ccccc1F)C(=O)NC[C@@H](c1ccco1)N1CCCC1 27333878 ODMFZMHKDBTGQL-AZUAARDMSA-N 401.482 3.126 0 40 HGAB Cc1ccccc1OCC(=O)NC[C@H](c1ccc(Cl)cc1)N1CCN(C)CC1 27793301 WVMUIGIBPLKRIR-HXUWFJFHSA-N 401.938 3.132 0 40 HGAB Cc1ccc(CN2C[C@@H](C(=O)OCC(=O)Nc3cccc(Cl)c3)CC2=O)cc1 28609522 OOCCHMWKWGQGKW-INIZCTEOSA-N 400.862 3.179 0 40 HGAB O=C(CNC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)Nc1ccc(Cl)cc1Cl 32102253 SXITXCAXGGCELD-LBPRGKRZSA-N 406.269 3.101 0 40 HGAB COc1ccc(-c2nn3c(c2C)NC(=O)C[C@@H]3C(=O)Nc2cccc(OC)c2)cc1 32103666 CGIRMINVTSGBJS-GOSISDBHSA-N 406.442 3.398 0 40 HGAB O=C(O)[C@H]1CC=CC[C@@H]1C(=O)Nc1nn(Cc2ccccc2F)cc1Br 32610345 HAZVJNGWLOWIKW-STQMWFEESA-N 422.254 3.439 0 40 HGAB COc1ccc(CN(C(=O)NCc2ccccc2)S(=O)(=O)c2cccnc2)cc1 32616669 LXSGRGQOATWJNA-UHFFFAOYSA-N 411.483 3.191 0 40 HGAB O=C(NCC1(N2CCOCC2)CCCCC1)c1c[nH]nc1-c1ccc(Cl)cc1 32895578 DZFRKZGQDFKSOO-UHFFFAOYSA-N 402.926 3.495 0 40 HGAB CC(=O)[C@@H](C)OC(=O)c1cc(S(=O)(=O)N(C)c2ccc(F)cc2)ccc1Cl 32910266 MGXMYFBBJOIUAZ-GFCCVEGCSA-N 413.854 3.439 0 40 HGAB Cc1[nH]c2ccccc2c1C(=O)C(=O)Nc1nn(C)c2c1[C@H](c1ccco1)CC(=O)N2 36705541 XNNTWLIYYLHGJL-ZDUSSCGKSA-N 417.425 3.098 0 40 HGAB Cc1cc(NC(=O)Cn2c(=O)oc3ccccc32)n(-c2nc3c(F)cccc3s2)n1 36709570 BHVYBWPNHJWQEL-UHFFFAOYSA-N 423.429 3.476 0 40 HGAB Cc1ccc(CN2CCC(C(=O)NCc3ccc(CN4CCOCC4)cc3)CC2)cc1 38831243 XHEQFPXMCCOWJJ-UHFFFAOYSA-N 421.585 3.356 0 40 HGAB CCCCc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 39986702 VOFKDZNAOLRYOV-UHFFFAOYSA-N 420.531 3.306 0 40 HGAB O=C(CN1C(=O)COc2ccc(Cl)cc21)OCc1cc(Cl)c2c(c1)OCCO2 40039706 RPEMRMVUECDCMU-UHFFFAOYSA-N 424.236 3.233 0 40 HGAB O=C1C[C@H](C(=O)Nc2ccccc2)c2c(nc(Nc3cccc(Cl)c3)[nH]c2=O)N1 40399338 PCZHVMFSUDHOAR-AWEZNQCLSA-N 409.833 3.231 0 40 HGAB NC(=O)c1ccc(N2CCCCC2)c(NC(=O)c2cc(Cl)c3c(c2)OCO3)c1 44220066 NYLIMJKNMLSDEM-UHFFFAOYSA-N 401.850 3.410 0 40 HGAB O=C(c1ccc(Cl)cc1)C1CCN(CCNS(=O)(=O)c2ccccc2)CC1 52863873 DIJNERUAJBKTER-UHFFFAOYSA-N 406.935 3.213 0 40 HGAB O=C(COc1ccccc1)NC[C@H](c1ccco1)N1CCN(c2ccccc2)CC1 56945184 CQVJTSUHWKQPNR-JOCHJYFZSA-N 405.498 3.338 0 40 HGAB CNC(=O)c1cccc(NC(=O)[C@@](C)(NC(C)=O)c2cccc(C(F)(F)F)c2)c1C 58356098 PSXXMHTUEMGIDZ-FQEVSTJZSA-N 421.419 3.363 0 40 HGAB Cc1cccn2cc(CC(=O)NCc3ccccc3CN3C[C@H](C)O[C@@H](C)C3)nc12 58405647 SKLQQRBFSIIFSX-OALUTQOASA-N 406.530 3.111 0 40 HGAB CN1N=C(C(=O)N[C@@H](c2ccccc2)c2ccc(Br)cc2F)CCC1=O 58421587 HQGCHFPYFFMPBK-SFHVURJKSA-N 418.266 3.402 0 40 HGAB Cn1ccc2c(NC(=O)CCCC(=O)N3CCN(c4ccccn4)CC3)cccc21 61718017 UIQZMARQDFGGIS-UHFFFAOYSA-N 405.502 3.031 0 40 HGAB CCS(=O)(=O)CCOc1ccc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)cc1 63877041 DXDULVSAOYDCAP-UHFFFAOYSA-N 421.899 3.093 0 40 HGAB Cc1cccc(Cn2nc3n(CCc4ccccc4)c(=O)c4sccc4n3c2=O)c1 64946328 DARTZKWKQCCJJY-UHFFFAOYSA-N 416.506 3.472 0 40 HGAB CC[C@@H](C)NC(=O)[C@H]1CSCN1C(=O)/C=C/c1ccc(OC(F)F)c(OC)c1 65591129 DGFLHVQEXWGZHG-JDQXGDOCSA-N 414.474 3.126 0 40 HGAB COC(=O)c1ccccc1NC(=O)CSc1nc2cc(C)[nH]c2c(=O)n1C(C)C 67235938 VTHPSWJZMBSNCJ-UHFFFAOYSA-N 414.487 3.131 0 40 HGAB O=C(C1CC1)N1CCCCC[C@@H]1C1CCN(CCS(=O)(=O)c2ccccc2)CC1 69778812 RGDNBNFLJKAPIL-JOCHJYFZSA-N 418.603 3.354 0 40 HGAB CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)c1nc2c(F)cccc2s1 70973710 WYHOQMWSOCJNOW-UHFFFAOYSA-N 400.479 3.347 0 40 HGAB O=C(NCc1cccc(C(F)(F)F)c1)[C@H]1CCCN1S(=O)(=O)c1cccs1 71850189 BWTPGMJQWSRXRP-CQSZACIVSA-N 418.462 3.236 0 40 HGAB CS(=O)(=O)Cc1ccc(CNc2ncccc2C(=O)N2CCc3ccccc32)cc1 72301814 JLPQPCRNBKOUEK-UHFFFAOYSA-N 421.522 3.441 0 40 HGAB CC(=O)NCC(=O)N1CCC[C@@H]1c1cccc(Cc2ccc(C(F)(F)F)cc2)n1 72358100 UCQXKNDWVIPLKZ-LJQANCHMSA-N 405.420 3.491 0 40 HGAB Cc1noc(C)c1C(=O)N[C@H](Cn1nc(-c2ccc(F)c(F)c2)ccc1=O)C(C)C 72389535 ZEWLVJDOHHCKPI-GOSISDBHSA-N 416.428 3.248 0 40 HGAB Cn1nc(C2CCN(C(=O)c3cc4ccccc4o3)CC2)n(-c2ccccc2)c1=O 77146492 RIKBCRUJBQWFQB-UHFFFAOYSA-N 402.454 3.337 0 40 HGAB Cc1cccc(C(=O)N[C@H](C(=O)Nc2ccc(C3=NNC(=O)CC3)cc2)C(C)C)c1 79015752 QHFWWPJPWNWAGM-NRFANRHFSA-N 406.486 3.002 0 40 HGAB CN(CC(=O)Nc1ccccc1Cl)C(=O)CN[C@@H]1CCCC[C@H]1C(F)(F)F 95941233 SSZRIIYEEQRPCW-TZMCWYRMSA-N 405.848 3.448 0 40 HGAB O=C(c1cn(Cc2ccccc2)nn1)N1CCC[C@H](c2n[nH]c(-c3ccccc3)n2)C1 95993301 RDPYZIDDZFHFDS-IBGZPJMESA-N 413.485 3.131 0 40 HGAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N1CCNC(=O)[C@H]1c1ccccc1Cl 96010166 NDMWEWMCQDRXKM-RBBKRZOGSA-N 423.900 3.304 0 40 HGAB O=C(CCNC(=O)c1ccc(F)cc1F)N[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 96013944 PAANAIMLHGSJTM-APWZRJJASA-N 406.404 3.260 0 40 HGAB CC(C)c1ccc(S(=O)(=O)N2CC[C@]3(CCCN(c4ncccn4)C3)C2)cc1 96216921 NGPXRCDDFJSDQK-NRFANRHFSA-N 400.548 3.281 0 40 HGAB COc1ccc(OC)c(C2=NO[C@@H]3C(=O)N(c4cc(Cl)ccc4Cl)C(=O)[C@H]23)c1 101297052 DNHMPFPDTHUJJO-WBVHZDCISA-N 421.236 3.303 0 40 HGAB C[C@H](NC(=O)CCn1cnc2ccc(Br)cc2c1=O)[C@H]1C[C@H]2CC[C@H]1C2 104106924 WEAGPFNDGVBTIV-RZLSGREXSA-N 418.335 3.490 0 40 HGAB C[C@H]1CN([C@H](CNC(=O)COc2ccccc2)c2c(F)cccc2Cl)CCO1 105653371 WMXNRNMQQNNKKF-HNAYVOBHSA-N 406.885 3.436 0 40 HGAB C[Si](C)(CNC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1)c1ccccc1 195565228 YAAOQYPTAZUYSA-BUHFOSPRSA-N 406.602 3.209 0 40 HGAB CC[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc(C)c(C)c1 219991817 UDVXYYOLQDVUMG-NRFANRHFSA-N 416.543 3.205 0 40 HGAB CC[C@H](C(=O)NCc1ccc(F)cc1)N(c1ccc(F)c(Cl)c1)S(C)(=O)=O 222511321 RUSMUFBLVCGBHT-QGZVFWFLSA-N 416.877 3.479 0 40 HGAB CC1CCN(S(=O)(=O)c2ccc(OCC(=O)N(C)c3ccccc3)cc2)CC1 222754435 GOOVLMMTCOOQHG-UHFFFAOYSA-N 402.516 3.149 0 40 HGAB Cc1cc(C)cc(N(CC(=O)N[C@@H](C)c2ccc3c(c2)CCC3)S(C)(=O)=O)c1 223166507 OQRBCRQNTBOHPL-KRWDZBQOSA-N 400.544 3.436 0 40 HGAB CN(C)CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1Cc1ccccn1 223240662 UIMDSFULHUEBFI-FGZHOGPDSA-N 420.586 3.251 0 40 HGAB Cc1ccc(N(CCCC(=O)NCCOCc2ccccc2)S(C)(=O)=O)cc1C 224054267 YJURZLZLGFKKJP-UHFFFAOYSA-N 418.559 3.183 0 40 HGAB COc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(Br)c(C)c2)cc1 224861009 MZQHDEBCWFKWCO-UHFFFAOYSA-N 414.277 3.046 0 40 HGAB CCN(CC(=O)N[C@@H](C)c1ccc(OC)cc1)S(=O)(=O)c1cc(C)ccc1C 225932330 WVGBBVWFQGVIMV-KRWDZBQOSA-N 404.532 3.200 0 40 HGAB CCc1cc(Br)cc(C)c1NC(=O)C1CCN(S(=O)(=O)CC)CC1 226046347 MAXRVUBUIDWMKI-UHFFFAOYSA-N 417.369 3.320 0 40 HGAB Cc1ccc(Cc2nn3c(=O)c(=Cc4cccc5ccccc45)sc3nc2=O)cc1 254440108 DCNBOAIKMPHCHT-UHFFFAOYSA-N 411.486 3.111 0 40 HGAB CNC(=O)[C@]1(c2ccccn2)CCCN(C(=O)C2(c3cccc(F)c3)CCCC2)C1 257236477 HCJLSGBDYLCEEU-XMMPIXPASA-N 409.505 3.339 0 40 HGAB C[C@@]12C[C@H](c3ccccc3)N(S(=O)(=O)c3ccc(F)cc3)[C@@H]1CCC[C@H](O)[C@@H]2O 257239904 HRHPGLDRMBZOJU-OQEHDIDLSA-N 419.518 3.242 0 40 HGAB C[C@H]1CCCCN1CCCNC(=O)[C@@H]1C[C@H]2CC[C@H]1C[C@@]21NC(=O)c2ccccc2N1 257241103 HWPYTFDERBNLQJ-YTOCAZORSA-N 424.589 3.355 0 40 HGAB Cc1cnc(C(=O)N2CCC(Cc3ccccc3-c3cccs3)(C(N)=O)CC2)cn1 257246214 ITCJZOVYCWAOJN-UHFFFAOYSA-N 420.538 3.464 0 40 HGAB COc1cc(OC)cc([C@H]2OCC[C@@]34C[C@@H](C[C@H]23)C(C)(C)[C@@H]4NC(=O)CCO)c1 257282898 OVUQKHCUXHELIM-YXINZFGNSA-N 403.519 3.085 0 40 HGAB O=C(c1cc(O)nc(O)n1)N1CCC[C@H](c2ncc(Cc3ccccc3Cl)o2)C1 257313416 USHKUNGKGCZVBE-ZDUSSCGKSA-N 414.849 3.140 0 40 HGAB CN1CCN(Cc2ccncc2)C[C@H]1c1nnn2cc(-c3cccc(F)c3)ccc12 306128060 GPBFYDZUJWSXQI-QFIPXVFZSA-N 402.477 3.419 0 40 HGAB Cc1ccc(-n2nccc2-c2nc(C(=O)NCC3CCOCC3)c3cnccn23)cc1 306130270 JAPBDOZCBJKBRB-UHFFFAOYSA-N 416.485 3.047 0 40 HGAB COc1ccc(-c2nnc3n2C2(CCN(C(=O)c4ccsc4)CC2)CN(C)C3)cc1 306142117 WPXXYVPBZXTFKO-UHFFFAOYSA-N 423.542 3.092 0 40 HGAB CCCN(Cc1ccccc1)C(=O)c1ccc(N2C(=O)c3nccnc3C2=O)cc1 408975115 HRLGADZMCXYEPN-UHFFFAOYSA-N 400.438 3.330 0 40 HGAB COc1ccccc1/C=[N+]1\NC(=O)[C@H](NC(=O)c2ccc(C)cc2)[C@@H]1c1ccccc1 409073961 UZWYXSNHSFOKSA-AYHYUOJHSA-O 414.485 3.020 0 40 HGAB Cc1sc2ncn(CCC(=O)N(Cc3ccccc3)CC(C)(C)O)c(=O)c2c1C 538340134 WVOJNMNYJMDXFF-UHFFFAOYSA-N 413.543 3.265 0 40 HGAB CCC[C@H](O)[C@@H](CO)NC(=O)c1sc(NC(=O)c2ccccc2Cl)cc1C 1570210756 FZRSNQPMLCKYTO-CABCVRRESA-N 410.923 3.214 0 40 HGAB O=C(NCC1CC1)[C@]12CCCN(CC3CCCCC3)C[C@H]1CN(c1ncccn1)C2 2055718342 BSSGVVIGNPCYSI-URXFXBBRSA-N 411.594 3.102 0 40 HGAB Cn1c(=O)c2c(nc3n(Cc4ccccc4)c(-c4ccc(Cl)cc4)cn23)n(C)c1=O 969332 CFDKODADDDUPEN-UHFFFAOYSA-N 419.872 3.055 0 40 HGAB CSC[C@H](NC(=O)CCc1c(C)c2cc3c(C)coc3cc2oc1=O)C(=O)O 2131394 XEVACRKDGPGANH-HNNXBMFYSA-N 403.456 3.021 0 40 HGAB biogenic Cc1cccn2c(=O)c3cc(C(=O)N4COCC4(C)C)n(Cc4ccccc4)c3nc12 2228447 BTYOSIIKVZEFGD-UHFFFAOYSA-N 416.481 3.214 0 40 HGAB CCOc1ccc(NC(=O)CSc2nnc(-c3cccc(Cl)c3)n2N)cc1 2427698 HPTILSSEBCWRQO-UHFFFAOYSA-N 403.895 3.442 0 40 HGAB COC[C@H](C)n1c(SCC(=O)NCc2ccc(F)cc2)nc2ccccc2c1=O 2625801 MAXPKAYNEPJMGO-AWEZNQCLSA-N 415.490 3.152 0 40 HGAB O=C(COC(=O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O)NC1CCCCC1 2662316 ASKZUSRZQWBZBU-UHFFFAOYSA-N 420.465 3.089 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)/C=C/c2ccc(OC)c(OC)c2)cc1 3210055 IYCUWZAOKAMTNV-RIYZIHGNSA-N 418.515 3.386 0 40 HGAB O=C(COc1ccc(Br)cc1)OCC(=O)N1CCCc2ccccc21 3240759 MMVSMJHTNNTBCJ-UHFFFAOYSA-N 404.260 3.351 0 40 HGAB Cc1nc(NCCc2ccc(S(N)(=O)=O)cc2)c2c3c(sc2n1)C[C@H](C)CC3 3325664 BSCBBAVNTGOPDH-GFCCVEGCSA-N 416.572 3.427 0 40 HGAB Cc1nn(-c2ccccc2)c2sc(C(=O)OCC(=O)NC(=O)NC(C)(C)C)cc12 3346183 KIUUPXOYCNNRNJ-UHFFFAOYSA-N 414.487 3.177 0 40 HGAB CC(C)Cn1c(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)nc2ccccc21 3498593 SNLNLBRVCQCROU-UHFFFAOYSA-N 418.544 3.071 0 40 HGAB CC(=O)c1ccc(NC(=O)CSc2nnc(Cc3ccc(C)cc3)c(O)n2)cc1 4317364 QQRMSSFFOSJLPO-UHFFFAOYSA-N 408.483 3.410 0 40 HGAB Cc1c(C(=O)Nc2ccc(S(N)(=O)=O)cc2)sc2nc(-c3ccccc3)cn12 4930837 GKBYHMACVXLQDG-UHFFFAOYSA-N 412.496 3.271 0 40 HGAB COC(=O)C1=C(CSc2nnc(C)s2)NC(=O)N[C@H]1c1ccc(Cl)cc1 5018333 OAMPSUUABWABLH-ZDUSSCGKSA-N 410.908 3.073 0 40 HGAB Cc1cc(C)cc(NC(=O)Cn2nnc(C(=O)Nc3ccc(F)c(Cl)c3)c2N)c1 5043097 BTWOTOISZLLQBW-UHFFFAOYSA-N 416.844 3.161 0 40 HGAB C[C@H](OC(=O)/C=C/c1cccc(C(F)(F)F)c1)C(=O)Nc1ccc(C(N)=O)cc1 5655624 YFCVLKHTNWUSRE-DJTWPOEFSA-N 406.360 3.388 0 40 HGAB COc1cc(NC(=S)NC(=O)COc2ccccc2)ccc1NC(=O)C(C)C 5944553 KBUNRGPSUMYARU-UHFFFAOYSA-N 401.488 3.182 0 40 HGAB CC(C)[C@@H](NC(=O)Cc1ccccc1)C(=O)N1CCN(c2cccc(Cl)c2)CC1 6583311 KJGWMZSYJFWAPD-JOCHJYFZSA-N 413.949 3.372 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cc(F)cc(F)c1 7141465 FOHLATIMFJECBA-UHFFFAOYSA-N 410.442 3.400 0 40 HGAB CN(C)[C@H](CNC(=O)c1cccc(I)c1)Cc1ccccc1 7683612 CVYWFTVEPSYLII-KRWDZBQOSA-N 408.283 3.194 0 40 HGAB CCCCOC(=O)c1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(F)cc2)cc1 8316479 AUPVRYJCTASQGH-UHFFFAOYSA-N 422.478 3.042 0 40 HGAB Cc1ccc(SCCC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 8379501 RRJYFCKCVCWAMJ-UHFFFAOYSA-N 418.584 3.319 0 40 HGAB CC(=O)Nc1ccc(NC(=O)COC(=O)CCC(=O)Nc2cc(C)ccc2C)cc1 8415041 WJJCUOPSIWMZJF-UHFFFAOYSA-N 411.458 3.162 0 40 HGAB C[C@H]1Cc2ccccc2N1C(=O)CSc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 8490319 MMNGDRADRMAUFO-AWEZNQCLSA-N 417.494 3.179 0 40 HGAB Nc1c([C@](O)(c2nc3ccccc3s2)C(F)(F)F)cnn1Cc1cccnc1 8726392 IFQGGRKSAOOEDW-KRWDZBQOSA-N 405.405 3.317 0 40 HGAB COc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C)C(=O)C(C)(C)CO3)cc1F 9169988 NKWHHCYSFSEAMS-UHFFFAOYSA-N 408.451 3.017 0 40 HGAB Cc1cccc(NC(=O)COc2ccc(S(=O)(=O)N3CCCC3)cc2Cl)c1 9225938 ATJATLHLIGFRBC-UHFFFAOYSA-N 408.907 3.450 0 40 HGAB CCOc1ccc2[nH]c(SCC(=O)N3CCN(C(=O)c4ccc(C)cc4)C3)nc2c1 9290310 IRQWECFKTFTERE-UHFFFAOYSA-N 424.526 3.304 0 40 HGAB O=C1CSc2ccc(C(=O)Nc3cccc(Cl)c3N3CCOCC3)cc2N1 9906454 FGRPNSRBOHHHFV-UHFFFAOYSA-N 403.891 3.473 0 40 HGAB CNS(=O)(=O)Cc1ccc(CNC(=O)N[C@@H](C)c2cc3ccccc3o2)cc1 9960494 DWHCRWNSWOMHKZ-AWEZNQCLSA-N 401.488 3.042 0 40 HGAB COc1ccc(Cl)cc1NS(=O)(=O)c1ccc(OC)c(C(=O)NC(C)C)c1 10008996 BGDCIZYRXDGGFE-UHFFFAOYSA-N 412.895 3.296 0 40 HGAB CCc1cc(C(F)(F)F)n2nc(C3CCN(S(=O)(=O)C(C)C)CC3)cc2n1 12276607 WOOXVDKQEMITEZ-UHFFFAOYSA-N 404.458 3.228 0 40 HGAB NC(=O)C1(N2CCCCC2)CCN(C(=O)C2c3ccccc3Oc3ccccc32)CC1 12377279 KYHDESJLQYWGPY-UHFFFAOYSA-N 419.525 3.257 0 40 HGAB COc1ccc(-c2cc(CNC(=O)[C@@H]3CC(=O)N(c4ccc(OC)cc4)C3)no2)cc1 12638314 KBZSRMJNUXXCRR-MRXNPFEDSA-N 421.453 3.028 0 40 HGAB CCN(Cc1ccc(Br)s1)C(=O)Cn1nnc(-c2cccc(F)c2)n1 12879483 FDAIAIOGEXQULH-UHFFFAOYSA-N 424.299 3.352 0 40 HGAB O=C(Cn1nc2n(c1=O)CCCCC2)Nc1nc(-c2ccc(Cl)s2)cs1 12934763 NJARNKORDSLRBZ-UHFFFAOYSA-N 409.924 3.248 0 40 HGAB CCn1c(SCC(=O)N2c3ccccc3NC(=O)C[C@H]2C)nc2ccccc2c1=O 13117969 GZFDSIYWOZXSHL-CQSZACIVSA-N 422.510 3.272 0 40 HGAB O=S(=O)(CCCOc1ccc2c(c1)OCO2)N1CCC(Cc2ccccc2)CC1 13521600 CIOLEARRQBSCIY-UHFFFAOYSA-N 417.527 3.469 0 40 HGAB O=C(c1ccc(NCc2cc3cc4c(cc3[nH]c2=O)OCCO4)cc1)N1CCCC1 13561297 LGYGCHNNYYOEEO-UHFFFAOYSA-N 405.454 3.147 0 40 HGAB CC[C@H](C(=O)NCCSCc1ccco1)N(c1ccc(F)cc1)S(C)(=O)=O 13715546 PHWVLQYCJNLNQM-QGZVFWFLSA-N 414.524 3.013 0 40 HGAB CNC(=O)c1nn(CN(C)Cc2ccc(Cl)cc2Cl)c(=O)c2ccccc12 14206932 OHIBOPUIOKEJJI-UHFFFAOYSA-N 405.285 3.152 0 40 HGAB Cc1cc(NC(=O)CN(C)C(=O)c2ccc3c(c2)C[C@H](c2ccccc2)OC3=O)no1 15554683 ZGRXKMHURVMDDH-LJQANCHMSA-N 419.437 3.148 0 40 HGAB O=C(NC1CC1)c1c(NC(=O)[C@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2C(=O)O)sc2c1CCCC2 17090033 UNFDFCNSHHFYHV-YIFBXAAPSA-N 414.527 3.371 0 40 HGAB Cc1ccc(C2=NO[C@@H](CC3(C(=O)NCC(C)(C)CN(C)C)CCOCC3)C2)cc1 19208890 FSBJDVJTXNAVFF-HXUWFJFHSA-N 415.578 3.379 0 40 HGAB CC(C)N1CCc2nc3cc(C4CCN(C(=O)[C@@H]5CC=CCC5)CC4)nn3c(O)c2C1 19448127 COFFOGMIMXFEFD-GOSISDBHSA-N 423.561 3.264 0 40 HGAB CCCc1cc(C(=O)N2CC[C@@H](c3cc4nc(C)cc(C(F)(F)F)n4n3)C2)n(C)n1 19525261 OYUZSBFVFYIBFN-CYBMUJFWSA-N 420.439 3.372 0 40 HGAB COc1ccc(-c2csc(CCNC(=O)c3nn4cccnc4c3Cl)n2)cc1 19558443 FPNOHLSDDPOEIN-UHFFFAOYSA-N 413.890 3.487 0 40 HGAB COc1cccc(OC)c1OCC(=O)N1CCC[C@@H]1c1n[nH]cc1-c1ccncc1 19568205 HGRCWCPVERWUTQ-QGZVFWFLSA-N 408.458 3.231 0 40 HGAB CN(C)c1ncc(-c2ccc(F)cc2)c([C@H]2CCCCN2C(=O)Cn2cccn2)n1 19694650 GTXQRHMYGYRWLQ-LJQANCHMSA-N 408.481 3.299 0 40 HGAB Cn1cc(C(=O)Nc2ccc(F)cc2)c(CC2CCN(C(=O)c3ccccn3)CC2)n1 19754293 AOUUNCBOUIGECZ-UHFFFAOYSA-N 421.476 3.301 0 40 HGAB Cc1noc(CCC(=O)N2CCC[C@@H]2c2ncc(C(=O)Nc3ccccc3)c(C)n2)n1 19755361 JEEHIUGGJBXWAW-GOSISDBHSA-N 420.473 3.025 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)[C@H](C)Oc2cccc(OC)c2)cc1 20111546 SCMUBFMGWAZICP-HNNXBMFYSA-N 406.504 3.132 0 40 HGAB O=C(Nc1ccccc1C(=O)NCc1ccco1)c1cccc(CN2CCOCC2)c1 20491464 KXUOSSMDQKMOKV-UHFFFAOYSA-N 419.481 3.294 0 40 HGAB CCOc1ccc(NC(=O)c2ccccc2NC(=O)CN2C[C@H](C)O[C@@H](C)C2)cc1 22228100 BGFIEPYUIXSPNN-IRXDYDNUSA-N 411.502 3.385 0 40 HGAB Cc1nn(C)c2ncc(C(=O)N3CCN(Cc4csc5ccccc45)CC3)cc12 23755214 VXQRBXRIGMAZCQ-UHFFFAOYSA-N 405.527 3.449 0 40 HGAB COc1ccc(N2C[C@H](C(=O)Nc3cccc(C(=O)OCC(C)C)c3)CC2=O)cc1 28580640 GOYVGRAFUFXRST-QGZVFWFLSA-N 410.470 3.500 0 40 HGAB CCN(CC)[C@H](CNC(=O)C1CCN(C(=O)c2cccnc2)CC1)c1ccsc1 31983983 PMHBKFASCZJSFL-HXUWFJFHSA-N 414.575 3.195 0 40 HGAB CC(C)[C@H](NC(=O)Nc1ccccc1)C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 32808963 SHMXZXFJXIGWQG-KXBFYZLASA-N 417.531 3.114 0 40 HGAB Cc1nnc(SCC(=O)N(CCC(N)=O)c2ccccc2)n1C1CCCCC1 32837602 KLYWSFJGHOVECJ-UHFFFAOYSA-N 401.536 3.092 0 40 HGAB O[C@H](CSc1nnc(N2CCCCC2)n1C[C@H]1CCCO1)c1ccc(F)cc1 32900862 JSQPOJUONRRAPV-QZTJIDSGSA-N 406.527 3.412 0 40 HGAB CCCCN(CC(F)(F)F)C(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 32915541 AVDKOBYEBTZDMF-ZDUSSCGKSA-N 400.397 3.002 0 40 HGAB O=C1/C(=C/NN2C(=O)c3ccccc3C2=O)c2ccccc2C(=O)N1Cc1ccccc1 33014611 WXAVKFRACBPLRR-KGENOOAVSA-N 423.428 3.011 0 40 HGAB CCNC(=O)NC[C@@H]1C=C(C)[C@H](Cc2nnc(-c3cncn3C)o2)C[C@H]1C(C)C 35442811 GQAQTNVNOCAKCX-ULQDDVLXSA-N 400.527 3.186 0 40 HGAB biogenic,in-vitro Cc1ccc(S(=O)(=O)NCCCCN2CCO[C@@H](c3ccccc3)C2)cc1C 36700390 OMRAWEYZIFIQRY-JOCHJYFZSA-N 402.560 3.435 0 40 HGAB COc1ccccc1N1CCN(C(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)CC1 38836195 KFNSUFDRIIACPT-HXUWFJFHSA-N 411.521 3.395 0 40 HGAB Cc1ccc2c(c1)c(=O)n(C)c1nnc(CSc3nc4ccccc4nc3C)n21 40114336 HMHHDFVDICRWDJ-UHFFFAOYSA-N 402.483 3.434 0 40 HGAB CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CCC[C@H](C(=O)NCC3CC3)C2)cc1 40146790 BYPSUUHVQUYPHA-KRWDZBQOSA-N 401.507 3.412 0 40 HGAB Cc1nn(-c2ccc3nncn3n2)c2c1[C@@H](c1cccc(OC(F)F)c1)CC(O)=N2 40285276 QRSOIIOQRZYQDF-CYBMUJFWSA-N 411.372 3.343 0 40 HGAB CCCC(=O)Nc1cccc(C(=O)OCc2cc(=O)n3nc(CCC)sc3n2)c1 41085947 YLRNRFVALQYFHX-UHFFFAOYSA-N 414.487 3.199 0 40 HGAB Cc1nc(-c2ccc(CCNC(=O)[C@@H]3CS[C@]4(C)CCC(=O)N34)cc2)cs1 48299664 RBCSFBUDSNPSAL-FXAWDEMLSA-N 401.557 3.231 0 40 HGAB COC(=O)Cn1c2c(sc1=O)[C@H](c1cccc(OC)c1)CC(=O)N2c1ccccc1 49548557 XPQZAWUUQPVFNB-KRWDZBQOSA-N 424.478 3.292 0 40 HGAB CCOc1ccccc1CNS(=O)(=O)c1cc(Br)ccc1OC 53670868 MCBZGAMHYUAPCB-UHFFFAOYSA-N 400.294 3.335 0 40 HGAB O=C1S/C(=C\C=C\c2ccccc2)C(=O)N1CCC(=O)N1CCCC[C@@H]1CCO 54360736 AULLKTWRLLYRKB-MQAFWTGPSA-N 414.527 3.433 0 40 HGAB Cc1noc([C@@H]2CCCN(C(=O)[C@H](NC(=O)c3ccc(Cl)cc3)C(C)C)C2)n1 54661338 BOPOCRZARUYTFY-NVXWUHKLSA-N 404.898 3.192 0 40 HGAB C[C@H]1CN(c2ccc(C(=O)NCC(C)(C)c3ccc4c(c3)OCO4)cn2)C[C@@H](C)O1 58758236 ZKBKDIRUBBSPRR-IYBDPMFKSA-N 411.502 3.132 0 40 HGAB CCc1ccc(NC(=O)Cn2nc3c4c5c(sc4ncn3c2=O)C[C@H](C)CC5)cc1 64945879 IBBCNDIJMZVKKW-CYBMUJFWSA-N 421.526 3.432 0 40 HGAB COCC(=O)N1CCC[C@H]1c1nc(C)c2c(n1)N(CCc1ccccc1OC)CCC2 72373744 QDDIIMGBSXKIIS-FQEVSTJZSA-N 424.545 3.099 0 40 HGAB COc1ccccc1CNC(=O)c1cc([C@@H]2CCN(C(=O)c3ccc(F)cc3)C2)n[nH]1 72375099 DSARJXFRRXFKEK-QGZVFWFLSA-N 422.460 3.117 0 40 HGAB CCCC(=O)N1CCO[C@@](Cc2ccc(-c3cccs3)cc2)(C(=O)NCC)C1 72389249 CVCUPAHVRJHLQG-JOCHJYFZSA-N 400.544 3.491 0 40 HGAB O=C(CCSc1ccc(Br)cc1)NCCCOC[C@H]1CCOC1 84419295 ZSECVKCNTKYURG-CQSZACIVSA-N 402.354 3.491 0 40 HGAB CCS(=O)(=O)CCn1ccc(NCc2c(C)nn(-c3ccc(Cl)cc3)c2C)n1 84811066 BMRAMUITTVGLNK-UHFFFAOYSA-N 421.954 3.386 0 40 HGAB CC(C)c1ccc2cc(C(=O)N3CCC(Oc4ccnc(C(N)=O)c4)CC3)[nH]c2c1 95459283 ILRMCPXNQXSJIV-UHFFFAOYSA-N 406.486 3.469 0 40 HGAB CCn1c(SCC(=O)N[C@@H]2CCCC3(C2)OCCO3)nnc1-c1ccccc1C 96008232 ZHSGUKLDVHGXPR-MRXNPFEDSA-N 416.547 3.167 0 40 HGAB O=C(Nc1cccc2c1CCCN2[C@@H]1COCCC12OCCO2)c1ccc(F)cc1 96012983 GJJIBUJWQBSSNO-OAQYLSRUSA-N 412.461 3.363 0 40 HGAB Cc1cc(NC(=O)[C@@H]2Oc3c(c(=O)oc4ccccc34)[C@@H]2c2cccc(O)c2)no1 96115673 ZUZAQNUBYULKHZ-FXAWDEMLSA-N 404.378 3.327 0 40 HGAB biogenic COc1ccc(S(=O)(=O)NCc2cccc(OC(C)C)c2)cc1C(=O)NC(C)C 113946145 CQJVQFKMKAZZQW-UHFFFAOYSA-N 420.531 3.099 0 40 HGAB CC[C@H](C(=O)N[C@@H](C)c1ccccc1OC)N(c1cccc(C)c1)S(C)(=O)=O 222774867 DDGAJTXFPGETPS-QFBILLFUSA-N 404.532 3.426 0 40 HGAB CC[C@@H](C(=O)NCCOc1cccc(C)c1C)N(c1ccccc1F)S(C)(=O)=O 223955558 YOICLPFHPISHQJ-SFHVURJKSA-N 422.522 3.182 0 40 HGAB CC(C)Oc1ccc(NC(=O)C(C)(C)NS(=O)(=O)Cc2ccc(F)cc2)cc1 225922988 DXWKJHSKSOSDMX-UHFFFAOYSA-N 408.495 3.450 0 40 HGAB CCC[C@@H](C)[C@@]1(CC)C(=O)N=C(SCC(=O)Nc2ccc(OC)cc2)NC1=O 226819682 IOPIGLABKLPIMT-CYBMUJFWSA-N 405.520 3.212 0 40 HGAB CCc1ccc(N([C@H](C)C(=O)N[C@@H](C)c2ccccc2OC)S(C)(=O)=O)cc1 260770508 SUBISXBEFHZAMX-JKSUJKDBSA-N 404.532 3.290 0 40 HGAB CN([C@H](C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21)c1ccccc1)S(C)(=O)=O 260815148 SRSXGYBVAWUADZ-MJGOQNOKSA-N 402.516 3.038 0 40 HGAB COC(=O)c1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N3CCCCC3)c2)cc1 408626267 VPKXFNOTCLORFK-UHFFFAOYSA-N 416.499 3.209 0 40 HGAB O=C(NCCO)c1nc(-c2cccc(Cl)c2)n(-c2ccc(Br)cc2)n1 408692927 YRAOVURHQZJMEQ-UHFFFAOYSA-N 421.682 3.072 0 40 HGAB C[C@@H](c1ccc(C(F)(F)F)cc1)n1c(=O)oc2cc(S(=O)(=O)N(C)C)ccc21 502643637 WJUPCLBVJMZQAV-NSHDSACASA-N 414.405 3.473 0 40 HGAB CN(C)c1ccc(-c2cncc(C(=O)NCc3ccc(Cn4cncn4)cc3)c2)cc1 564493879 CMPNJGTZUDJHRF-UHFFFAOYSA-N 412.497 3.384 0 40 HGAB NC(=O)C[C@]1(COc2cccc(Cl)c2)CN(Cc2ccc3[nH]ccc3c2)CCO1 585274050 ZQRGGEBDHUFRAU-JOCHJYFZSA-N 413.905 3.347 0 40 HGAB O=C(Nc1ccc2c(c1)C(=O)NCC2)c1nc(-c2ccccc2)n(-c2ccccc2)n1 604968308 HRLDRAHFNWYWMD-UHFFFAOYSA-N 409.449 3.473 0 40 HGAB O=C(c1cc2c(Br)cncc2s1)N1CCOC[C@H]1C[C@@H]1CCOC1 1536723151 UDSUWVAKWVUUKN-NWDGAFQWSA-N 411.321 3.326 0 40 HGAB O=C(Nc1cc(-c2cccc(Cl)c2Cl)[nH]n1)C1CC2(C1)CS(=O)(=O)C2 1638775575 KRZKRHIFAVSAKH-UHFFFAOYSA-N 400.287 3.147 0 40 HGAB C=CC(=O)Nc1ccc(C(=O)N2CCC[C@H]2c2ncc(Br)cn2)cc1 1638959998 NRZWPUIGZMMQLQ-HNNXBMFYSA-N 401.264 3.341 0 40 HGAB COc1ccc(C(=O)N2CC[C@H](Oc3ccncc3Br)C2)cc1OC 1775972494 IESDNRQXRPUJCJ-ZDUSSCGKSA-N 407.264 3.155 0 40 HGAB CCN(CC)C(=O)CCc1ccc2c(c1)CN(C(C)C)CC(=O)NCCCCCO2 1848441825 HHAFYHRUODTKBG-UHFFFAOYSA-N 417.594 3.377 0 40 HGAB Cn1cc(-c2cncc(N3CCN(c4nc(-c5ccccc5)cs4)CC3)n2)cn1 2298122922 BPIHILZQFHNIFZ-UHFFFAOYSA-N 403.515 3.327 0 40 HGAB O=C(c1ccc(NC2=C(Cl)C(=O)N(Cc3ccccc3)C2=O)cc1)N1CCCC1 960060 MXRRNLFHKYOHNS-UHFFFAOYSA-N 409.873 3.354 0 40 HGAB COc1cc(OC)c(N2C[C@H](C(=O)N3CCc4sccc4C3)CC2=O)cc1Cl 32883734 QHCYZHPPVGRPJT-CYBMUJFWSA-N 420.918 3.357 0 40 HGAB CC(=O)Oc1ccc(C(=O)COC(=O)CNC(=O)c2ccc(C(C)(C)C)cc2)cc1 10041784 XMHAEMBGXGYAEZ-UHFFFAOYSA-N 411.454 3.065 0 40 HGAB Cc1c([C@@H](C)NC(=O)[C@H](C)n2nc(C(F)F)c(Br)c2C)cnn1C 2780961 BKSODUBTGIJKBH-XCBNKYQSSA-N 404.259 3.372 0 40 HGAB COC(=O)C[C@H](NC(=O)C[C@@H](NC(C)=O)c1ccc(Cl)cc1)c1cccs1 32900556 AXPVARLUHCNEJA-CVEARBPZSA-N 408.907 3.389 0 40 HGAB Cc1cc(C(=O)Nc2ccccc2C(N)=O)ccc1NS(=O)(=O)c1ccccc1 10315042 NMAQEJNNQYIVKC-UHFFFAOYSA-N 409.467 3.147 0 40 HGAB COc1ccc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)cc1C(=O)N1CCCC1 10449913 MHYUONYKBUQZPC-HNNXBMFYSA-N 400.500 3.071 0 40 HGAB C[C@H](NC(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O)c1ccc2c(c1)OCO2 8631819 QIMMNSDESNJRKP-VIFPVBQESA-N 402.756 3.127 0 40 HGAB CN(Cc1cc2c(cc1Br)OCCO2)S(=O)(=O)c1cccs1 22102571 NHZLUXUYORQVIF-UHFFFAOYSA-N 404.307 3.103 0 40 HGAB Cc1cc(Br)cc(Br)c1OCC(=O)NC[C@H]1CCCO1 674412 MAAFKGKRXHFXDY-LLVKDONJSA-N 407.102 3.194 0 40 HGAB CC(=O)Nc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 804688 DYUKOLCSOLUSSX-UHFFFAOYSA-N 401.488 3.072 0 40 HGAB COc1cc2ncn(CCCC(=O)N[C@H](C)[C@H]3C[C@H]4CC[C@H]3C4)c(=O)c2cc1OC 105634073 XTFPCMDVSGJDLF-LTIDMASMSA-N 413.518 3.135 0 40 HGAB Cc1cccc(-n2ncc(C(=O)Nc3cc(S(=O)(=O)N(C)C)ccc3C)c2C)c1 24864108 JQVCLBLJEDZGRC-UHFFFAOYSA-N 412.515 3.300 0 40 HGAB COCCn1c(SCc2ccoc2C(=O)OC)nc2sc3c(c2c1=O)CCC3 24907854 PVSXKOLMNNPNIG-UHFFFAOYSA-N 420.512 3.265 0 40 HGAB O=C(CN(Cc1ccco1)C(=O)[C@@H]1CC(=O)Nc2ccccc21)Nc1ccccc1 25002159 PUQHXCAKKZELLA-LJQANCHMSA-N 403.438 3.373 0 40 HGAB CN1CCN(c2ncccc2CNC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 58015878 XXBBDAOYXLISKO-UHFFFAOYSA-N 409.412 3.054 0 40 HGAB CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)[C@H]1CC(=O)N(C2CC2)C1 57596364 MXCXICKQBJZMGG-LBPRGKRZSA-N 412.317 3.181 0 40 HGAB O=C(COC(=O)[C@@H]1COc2ccccc2O1)Nc1ccccc1C(=O)c1ccccc1 3355476 MOTZPSGWSSLNML-NRFANRHFSA-N 417.417 3.239 0 40 HGAB CC(C)N(C(=O)COC(=O)[C@@H]1CCCN1C(=O)c1cccs1)c1ccccc1 3310749 SILIFAPCWCFMQS-KRWDZBQOSA-N 400.500 3.338 0 40 HGAB CC(C)(C)[C@@H]1CCc2sc(C(=O)Nc3ccc(N4CCNC(=O)C4)nc3)cc2C1 27262640 AQXRZIBVKPBHKY-OAHLLOKOSA-N 412.559 3.483 0 40 HGAB O=c1nc(SCc2ccccc2Cl)c2c(n1[C@H]1CCS(=O)(=O)C1)CCC2 27795612 QQQFVNRFIHGOMV-ZDUSSCGKSA-N 410.948 3.037 0 40 HGAB Cc1ccc(-c2noc(CN3CCN(C(=O)COc4cccc(C)c4)CC3)n2)cc1 12759999 LJVMUSCIFVFGSH-UHFFFAOYSA-N 406.486 3.077 0 40 HGAB O=C(N[C@H]1C[C@@H]2CC[C@@H]1C2)C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1 113949523 OAEYOIFYYGQVGM-BJZITVGISA-N 410.967 3.187 0 40 HGAB Cc1nn(C(F)F)cc1S(=O)(=O)N1CCN(Cc2cccc3ccccc23)CC1 36614808 IVHGFQYRZGOOHI-UHFFFAOYSA-N 420.485 3.246 0 40 HGAB COc1cc(NC(=O)[C@@H](NC(=O)C2CCCCC2)C(C)C)ccc1N1CCCC1=O 11447349 YDPYCMWEYATWRG-NRFANRHFSA-N 415.534 3.482 0 40 HGAB CCOc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCC[C@@H]3C)C2=O)ccc1O 409201484 NMWBMYOANVKOJX-MFVBVHDHSA-N 404.488 3.228 0 40 HGAB COC(=O)c1ccccc1NC(=O)CCn1cnc2sc3c(c2c1=O)CCCC3 12989625 OGVOKYATVXBLAW-UHFFFAOYSA-N 411.483 3.152 0 40 HGAB C[C@@]1(c2ccco2)NC(=O)N(CC(=O)Nc2ccccc2Oc2ccccc2)C1=O 8326550 LQFGNHLQDZXFAT-QFIPXVFZSA-N 405.410 3.478 0 40 HGAB COC(=O)c1[nH]c2cccc(OC)c2c1NC(=O)[C@@H](C)N1CCc2ccccc2C1 5562675 ZEBNQWBYTDNARX-CQSZACIVSA-N 407.470 3.348 0 40 HGAB CCc1nnc2n1N[C@@H](c1ccc(OC)cc1)[C@H](C(=O)Nc1ccccc1F)S2 6811997 ZZZOONKREHEHRT-ZWKOTPCHSA-N 413.478 3.386 0 40 HGAB Cc1nsc(N2CCCN(C(=O)c3csc(CCc4ccccc4)n3)CC2)n1 78934387 BJEZYQBLIIHJGM-UHFFFAOYSA-N 413.572 3.441 0 40 HGAB CCCNC(=O)CN1CCN(c2nc(C)nc3sc(-c4ccccc4)cc23)CC1 15554530 OLTOYSPYLLVTMU-UHFFFAOYSA-N 409.559 3.315 0 40 HGAB Cc1cccc(OC[C@@H](O)CN2C(=O)N[C@](C)(c3cccc4ccccc34)C2=O)c1 7201315 MIDVIKXXJHAEOZ-MHECFPHRSA-N 404.466 3.355 0 40 HGAB CCc1nc(CSc2nc3sc(C)c(CC)c3c(=O)n2C[C@H]2CCCO2)n[nH]1 96010353 QACFIZSTXCRYAW-GFCCVEGCSA-N 419.576 3.481 0 40 HGAB Cc1cc(Br)ccc1SCC(=O)Nc1cccc(S(N)(=O)=O)c1 9715830 RDZFLZZZRZMRHF-UHFFFAOYSA-N 415.334 3.136 0 40 HGAB CC(C)(C)[S@](=O)CCNC(=O)C[C@@](O)(c1nc2ccccc2s1)C(F)(F)F 95958698 UTQUQZXICJUKJI-JWIGPWBQSA-N 422.494 3.100 0 40 HGAB COc1ccc(S(=O)(=O)NCCCOC(C)C)cc1NC(=O)c1ccc(C)cc1 408560785 PXLBPXNZGGEYKU-UHFFFAOYSA-N 420.531 3.349 0 40 HGAB Cc1noc(C)c1CSc1nc2ccccc2c(=O)n1CCCN1CCCC1=O 67258580 DUCFAOOYSGEBDZ-UHFFFAOYSA-N 412.515 3.306 0 40 HGAB Cc1cc(C)cc(CN2C[C@@H]3Cc4nnc(C(=O)NCc5ccccc5)n4C[C@H]3C2)c1 306137870 RIQFGQJTOMTHKH-FCHUYYIVSA-N 415.541 3.129 0 40 HGAB Cc1cc(C)c([C@H]2c3c(n(C)c(=O)n(C)c3=O)N=C3c4ccccc4C(=O)[C@H]32)c(C)c1 408733227 GQPIAHAIPXAFMM-MOPGFXCFSA-N 413.477 3.088 0 40 HGAB N[C@@H](C(=O)NCC1CCC(c2ccnc(Nc3cnccn3)n2)CC1)c1ccccc1 72380007 UYJWXRUVRXCYAF-MYKUNDNFSA-N 417.517 3.100 0 40 HGAB COc1ccccc1N1C(SCc2cccc(C)c2)=N[C@@H]2CS(=O)(=O)C[C@H]21 32641191 BYVCEZHBDDIXTF-SJLPKXTDSA-N 402.541 3.279 0 40 HGAB Cc1cccc(NC(=S)Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)c1C 32579191 FJNUEMKQEYKGML-UHFFFAOYSA-N 418.588 3.048 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)CSc1ccccc1 30871382 YKDNIZAKRLELPR-UHFFFAOYSA-N 406.529 3.211 0 40 HGAB CC(C)c1nc(S(=O)(=O)NC[C@H](O)c2ccc(-c3ccsc3)s2)cn1C 675008398 VWWOMQFLWXRUJS-ZDUSSCGKSA-N 411.574 3.345 0 40 HGAB Cc1cc(C(=O)N2CC(C(=O)NCCC(c3ccccc3)c3ccccc3)C2)no1 70810839 QEVHFXHSKPBVIK-UHFFFAOYSA-N 403.482 3.393 0 40 HGAB Nc1ncccc1C(=O)N1CC[C@@H](c2cc(CCOc3ccc(Cl)cc3)[nH]n2)C1 72371684 SDIATSOIIWOJEF-CQSZACIVSA-N 411.893 3.292 0 40 HGAB O=S(=O)(N[C@@H](c1cccnc1)C1CCOCC1)c1ccc(OC(F)(F)F)cc1 225624557 ZIQGJNKWPBKUPF-QGZVFWFLSA-N 416.421 3.426 0 40 HGAB COCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc(OC)c1 223021356 KTFSRIBYCHPAHL-RTWAWAEBSA-N 408.527 3.500 0 40 HGAB CCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)COc1ccc(OC)cc1 224352923 JAQOFQDIRNFIDX-HXUWFJFHSA-N 402.466 3.157 0 40 HGAB COc1ccc(C(=O)NCC(C)C)cc1CN(C)S(=O)(=O)c1ccc(C)cc1 224776437 UXHUWWKJTBEZBB-UHFFFAOYSA-N 404.532 3.210 0 40 HGAB COc1ccccc1N(CC(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)S(C)(=O)=O 222926710 SSQYKNUQCFLRGK-INIZCTEOSA-N 416.543 3.217 0 40 HGAB COc1ccc(OC)c2c1CN(c1ccc(S(=O)(=O)C(F)(F)F)cc1)C[C@@H]2O 47509815 VIIGOYYVVMYIGB-AWEZNQCLSA-N 417.405 3.051 0 40 HGAB COc1ccc(NC(=O)CCc2cc(S(=O)(=O)N3CCCC3)ccc2OC)cc1 225451238 CJPLQUKCCSSPSO-UHFFFAOYSA-N 418.515 3.060 0 40 HGAB COc1ccc(C(=O)NC[C@H](c2ccc(F)cc2)N2CCOCC2)cc1OC(F)F 48325810 ZKUBLCXZNLDWHR-QGZVFWFLSA-N 424.419 3.239 0 40 HGAB CC(C)(C)CNC(=O)COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 226086541 VTUAHDJFRBCPIF-UHFFFAOYSA-N 416.543 3.369 0 40 HGAB COc1ccc(OC)c(N(CC(=O)N[C@@H](C)C(C)C)S(=O)(=O)c2ccccc2)c1 225187417 YHWDPDDEFHFXCQ-INIZCTEOSA-N 420.531 3.060 0 40 HGAB O=C1CCCN1C(=O)CSC1=N/C(=C\c2ccccc2)C(=O)N1c1ccc(F)cc1 97664263 MLIOHPVOCIKKJH-AQTBWJFISA-N 423.469 3.452 0 40 HGAB CCC(=O)N1CC[C@@H]2Oc3ccccc3S(=O)(=O)N(Cc3ccccc3)[C@H]2CC1 96145854 FZQPSMFCHCAFMT-OALUTQOASA-N 414.527 3.040 0 40 HGAB O=C(COc1cccc2cccnc12)N1CCCC[C@@H]1c1nnc(-c2cnccn2)o1 257244006 IJLZZDYZTHTMHY-QGZVFWFLSA-N 416.441 3.207 0 40 HGAB COc1cccc(Cc2cnc([C@@H]3CCCN(C(=O)COc4cccnc4)C3)o2)c1 257250102 JLAYFNRZWCLZOT-GOSISDBHSA-N 407.470 3.454 0 40 HGAB CN(C(=O)c1cc(-c2ccccc2)ccc1O)[C@@H]1CC[C@@H](Oc2cccnc2)[C@@H]1O 257232406 GKSWENJFUWDJLI-YMPZKCBVSA-N 404.466 3.497 0 40 HGAB COc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC(=O)[C@H]1CC[C@H](Cn2cnnn2)CC1 257199443 LGNWJJKOMKEOFG-AVYPCKFXSA-N 408.506 3.163 0 40 HGAB Cc1ccc2c(c1)O[C@@H](C(=O)N[C@H](C)c1cc(C)c(C)cc1C)CN2S(C)(=O)=O 260949410 XCBJFDUXTPYFHH-DYESRHJHSA-N 416.543 3.325 0 40 HGAB S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2-c2ccccn2)N1C[C@H]1CCCO1 260919733 NGKHULDQHTYIKC-MAODMQOUSA-N 405.527 3.419 0 40 HGAB COc1ccc(C)cc1N([C@H](C)C(=O)N[C@H](C)c1ccc(F)cc1)S(C)(=O)=O 260591763 LHZYFPXSWIVHBZ-HUUCEWRRSA-N 408.495 3.175 0 40 HGAB COC[C@@H](C)Oc1ccc(CN2CCN(Cc3nc(-c4ccccc4)no3)CC2)cc1 1179984842 VLOOJXCBBMOSCC-LJQANCHMSA-N 422.529 3.468 0 40 HGAB O=C(Nc1ccc(N2CCOCC2)cc1)C1CN(c2cc(-c3ccccc3)ncn2)C1 390829264 XWRCEXNZGXXQOH-UHFFFAOYSA-N 415.497 3.055 0 40 HGAB Cc1ccc(OCC(=O)N2CCC3(CC2)CO[C@@H](CN(C)Cc2cccnc2)C3)cc1 585104168 MDCXQIOADCRQPI-HSZRJFAPSA-N 423.557 3.299 0 40 HGAB CCn1cnnc1-c1cccc(NC(=O)NC[C@H](c2cccc(OC)c2)N(C)C)c1 58265360 ZCQULNFZEGIWIU-HXUWFJFHSA-N 408.506 3.398 0 40 HGAB COc1cccc([C@H](CNC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)N2CCCC2)c1 12789061 XANMSWZUNXRGOP-REWPJTCUSA-N 421.541 3.310 0 40 HGAB COc1cc(OC)c(S(=O)(=O)NC[C@H](C)n2nc(C)c(C)c2C)cc1Cl 19556334 VNAZOQXSPVJJLV-JTQLQIEISA-N 401.916 3.018 0 40 HGAB Cc1c(CN2CCc3nc(-c4ccccn4)nc(O)c3C2)cnn1Cc1ccccc1 12122674 WSMLJPRQYNJCNY-UHFFFAOYSA-N 412.497 3.356 0 40 HGAB COc1ccc([C@@H](NC(=O)Cn2c(C)nc3cc4c(cc32)OCCO4)C2CC2)cc1 19718235 QWBSDRXYUGQZTQ-QHCPKHFHSA-N 407.470 3.392 0 40 HGAB COc1ccc(OC)c2sc(N(C[C@@H]3CCCO3)C(=O)c3cc(C)no3)nc12 12422339 MSBBPKVYKLJLEW-LBPRGKRZSA-N 403.460 3.436 0 40 HGAB COc1cccc(-c2ccc(=O)n(Cc3nc(-c4ccc(OC)c(OC)c4)no3)n2)c1 16845899 AOPRBMQEDGNYPC-UHFFFAOYSA-N 420.425 3.034 0 40 HGAB COc1ccc2c(c1)c1nc(SCC(=O)N(C)c3ccccc3)n(C)c(=O)c1n2C 33287735 JRMFMMBTHFTPOS-UHFFFAOYSA-N 422.510 3.189 0 40 HGAB O=c1c2cc(-c3cccs3)nn2cnn1Cc1nc(-c2ccc(Cl)cc2)no1 49004366 JMVVZPVASQATQD-UHFFFAOYSA-N 410.846 3.371 0 40 HGAB Cc1nc(C2(NC(=O)[C@H]3CCCN(C(=O)c4cccs4)C3)CCCCC2)no1 40059617 ZGDZFJZKNNZMBC-HNNXBMFYSA-N 402.520 3.268 0 40 HGAB Cc1ncc2c(n1)CC[C@@H](NC(=O)c1cn(-c3ccccc3)nc1-c1cccnc1)C2 30387559 OTZUHGHJYGOOES-LJQANCHMSA-N 410.481 3.320 0 40 HGAB COc1cccc(C(=O)CSc2ccc(S(=O)(=O)N3CCCCC3)cn2)c1 31746776 DLUKNRHUNLSWNU-UHFFFAOYSA-N 406.529 3.240 0 40 HGAB Cc1c(CC(=O)N2CCN(C)CC2)c(=O)oc2cc3c(cc12)CCC1(CCCCC1)O3 20622114 PIFHNIPXCUJXSB-UHFFFAOYSA-N 424.541 3.446 0 40 HGAB CCOC(=O)c1c(NC(=O)COC(=O)c2ccc(OC)c(OC)c2)sc(C)c1C 954975 MYVBSDRSEDEKOU-UHFFFAOYSA-N 421.471 3.354 0 40 HGAB CCOC(=O)C(=O)Cc1nc(OCc2ccccc2)cc(OCc2ccccc2)n1 1562214 LKNAKKFQYUOAST-UHFFFAOYSA-N 406.438 3.309 0 40 HGAB COc1cc(C(=O)Nc2ccc3c(c2)OCCO3)c(Br)c(OC)c1OC 1747616 HWGLSUOHZHVNMM-UHFFFAOYSA-N 424.247 3.498 0 40 HGAB CCOC(=O)c1ccccc1OCc1cc([C@H]2N[C@H](C(=O)O)CS2)ccc1OC 2417153 VZTDKGMQALZQHJ-LPHOPBHVSA-N 417.483 3.239 0 40 HGAB Cc1cc(NC(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2F)no1 2619362 ZETZIGZXHRIBAH-UHFFFAOYSA-N 410.434 3.496 0 40 HGAB c1ccc(Cn2ccc(Nc3nnc(Cn4nnc(-c5ccccc5)n4)s3)n2)cc1 2809445 UXUJKOCEYLGHAL-UHFFFAOYSA-N 415.486 3.228 0 40 HGAB COc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccc3c(c2)OCCO3)ccc1OC(F)F 3489715 VNWAXQQGLZSRBL-NSHDSACASA-N 423.368 3.252 0 40 HGAB O=C(NCc1ccc(F)cc1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 3551561 NVCXAENGPSTQAA-UHFFFAOYSA-N 410.898 3.196 0 40 HGAB CCOCCCn1c(SCC(=O)NCc2cccs2)nc2ccccc2c1=O 3580306 RWQLLWRLSXVSAP-UHFFFAOYSA-N 417.556 3.293 0 40 HGAB COC(=O)[C@]1(C(F)(F)F)N=C2C=CC(Br)=CN2C(c2ccccc2)=N1 3616600 YAZQFDQMFDOKKA-HNNXBMFYSA-N 414.181 3.385 0 40 HGAB CCCCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccncc1)C(C(=O)OCC)=C(C)N2 4292285 ALATWYFGVCUARC-HNNXBMFYSA-N 400.504 3.452 0 40 HGAB O=C(COC(=O)C1=NN(c2ccccc2)C(=O)CC1)Nc1ccc(Cl)cc1F 4563387 OOACIQJAJSYAST-UHFFFAOYSA-N 403.797 3.144 0 40 HGAB O=C(COc1ccc2c3c(c(=O)oc2c1)CCCC3)NCC1CCC(C(=O)O)CC1 4662414 LDADPGRJTCKDRY-UHFFFAOYSA-N 413.470 3.058 0 40 HGAB Cc1ccnc(NC(=O)CCC(=O)N(CC(=O)NC(C)(C)C)Cc2ccccc2)c1 4849622 VDFOKOYAVIIZNI-UHFFFAOYSA-N 410.518 3.052 0 40 HGAB O=C(CCCc1ccccc1)Nc1c2c(nn1-c1ccc(F)cc1)CS(=O)(=O)C2 5078002 UPGVYLRTPIXHNP-UHFFFAOYSA-N 413.474 3.401 0 40 HGAB CCc1cccc(CC)c1NC(=O)COC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 5549363 PODBSXJNSVWTJW-FQEVSTJZSA-N 408.498 3.342 0 40 HGAB CCOC(=O)C1=C(C)Oc2cc3c(cc2[C@H]1c1cc(OC)c(O)c(OC)c1)OCO3 5663588 ZJRBUQOIGXERET-HXUWFJFHSA-N 414.410 3.500 0 40 HGAB Cc1ccc(NC(=O)COC(=O)[C@H]2COc3ccccc3O2)c(Br)c1 6055927 UDHLSQRIBOUHQF-MRXNPFEDSA-N 406.232 3.079 0 40 HGAB C[C@@H](OC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NCCC1=CCCCC1 6508990 VUKKWXNQOAKOSF-SGGRRFJASA-N 416.562 3.257 0 40 HGAB O=C(NCc1cccc(Cl)c1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 6759595 ZGGKMGIXCJNGBJ-UHFFFAOYSA-N 410.898 3.196 0 40 HGAB COc1ccc(CCN2C(=O)C[C@@H](Nc3ccc(OC(F)(F)F)cc3)C2=O)cc1 6831788 GSSZZDQGFQJWNW-QGZVFWFLSA-N 408.376 3.376 0 40 HGAB CCOCCCNC(=O)CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 6957813 HULZGNFKEVRJPY-UHFFFAOYSA-N 424.950 3.074 0 40 HGAB CC[C@@H](NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(OC)cc1 7037337 IOGTYGUKCNFENS-HXUWFJFHSA-N 402.516 3.361 0 40 HGAB COc1ccc(C)cc1NC(=O)COC(=O)CNC(=O)c1ccc(C(C)(C)C)cc1 7801975 CKUBKOHTJQPCKA-UHFFFAOYSA-N 412.486 3.213 0 40 HGAB Cc1cccc(N2C[C@H](C(=O)OCC(=O)Nc3cccc(Cl)c3C)CC2=O)c1 8037218 YIUPMTGLDFQNEG-OAHLLOKOSA-N 400.862 3.492 0 40 HGAB CN(C)[C@H](CNC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1)c1ccccc1 8230503 FEAMZJKALXCEPB-YAOQVBECSA-N 405.542 3.358 0 40 HGAB CC(C)C[C@@H](C(=O)OCC(=O)N[C@H](C)c1ccccc1)N1C(=O)c2ccccc2C1=O 8283655 BCIVPBLIEMXJFS-UZLBHIALSA-N 422.481 3.118 0 40 HGAB O=C(CN1C(=O)NC2(CCCC2)C1=O)NCc1ccc(Oc2ccc(F)cc2)cc1 8328737 PQSGRASFBYYHTE-UHFFFAOYSA-N 411.433 3.099 0 40 HGAB O=C(c1ccco1)N1CCc2ccc(NS(=O)(=O)CCc3ccccc3)cc2C1 8977196 GZFHHZHXBGSQBJ-UHFFFAOYSA-N 410.495 3.463 0 40 HGAB COc1ccc(C(=O)N2CCc3sccc3[C@@H]2C)cc1S(=O)(=O)N1CCCC1 9314947 YSWDLFAHBMDBIY-AWEZNQCLSA-N 420.556 3.301 0 40 HGAB CCn1nnc2cc(C(=O)Nc3nc(-c4ccc5c(c4)CC(=O)N5)cs3)ccc21 9377116 TZKXJAOUKSTVRE-UHFFFAOYSA-N 404.455 3.322 0 40 HGAB Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3n[nH]c4ccccc34)cc2)nc(C)n1 9492289 VRRPALITLVLEKE-UHFFFAOYSA-N 422.470 3.023 0 40 HGAB CCNC(=O)NC(=O)[C@@H](Sc1nnc(-c2cccnc2)n1C1CC1)c1ccccc1 9640675 STPXRVMTBVINIG-KRWDZBQOSA-N 422.514 3.354 0 40 HGAB COC(=O)c1ccc2c(=O)n(CC(=O)Nc3ccc(Cl)cc3Cl)cnc2c1 10682756 SWZFSBDXKFRWJY-UHFFFAOYSA-N 406.225 3.129 0 40 HGAB COc1ccc(C(=O)NCC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)cc1OC 11918052 OBAZCIHJDAFGQG-UHFFFAOYSA-N 412.442 3.114 0 40 HGAB CN1[C@@H](C(=O)Nc2c(Cl)cccc2Cl)C[C@@H](c2cccs2)NS1(=O)=O 12129957 LXOJIIQTHMFBCQ-NWDGAFQWSA-N 420.343 3.273 0 40 HGAB CCOC(=O)N1CCN(c2nc(C)c3c(n2)C[C@@H](c2ccc(F)cc2)CC3=O)CC1 12390613 QWSDJUHXKCKYCA-MRXNPFEDSA-N 412.465 3.115 0 40 HGAB COc1ccc(CC(=O)NCc2cc(-c3ccc(OC)c(OC)c3)on2)cc1OC 12638880 NHELKZGUMXJTNL-UHFFFAOYSA-N 412.442 3.235 0 40 HGAB Cc1nc(-c2ccc3c(c2)CCN3C(=O)COc2ccc(-n3cnnn3)cc2)cs1 12916124 UWSFHTOSRPXVRJ-UHFFFAOYSA-N 418.482 3.062 0 40 HGAB NS(=O)(=O)c1ccc(CNC(=O)C23C[C@H]4C[C@@H](C2)CC(c2ccccc2)(C4)C3)cc1 13129682 SUWKHTNPBTZKQJ-LHHMWQFHSA-N 424.566 3.488 0 40 HGAB COC(=O)c1c(NC(=O)c2ccc(C)c(NS(C)(=O)=O)c2)sc2c1CCCC2 13679672 CZOFNQSJHPZMJE-UHFFFAOYSA-N 422.528 3.346 0 40 HGAB COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2C(F)(F)F)cc1 14512930 HLWSSXKIDUOENH-LBPRGKRZSA-N 416.421 3.271 0 40 HGAB CCOc1ccc(N2C[C@@H](C(=O)N3CCN(c4cccc(C)c4)CC3)CC2=O)cc1 16280209 HYVGRQFAXORCON-IBGZPJMESA-N 407.514 3.095 0 40 HGAB CCOC(=O)c1nc(-n2nc(C)c3nc4ccccc4nc32)sc1C(=O)OCC 16683070 ADBZOVOYZYTKGX-UHFFFAOYSA-N 411.443 3.087 0 40 HGAB O=S(=O)(NCCc1csc2nc(-c3cccc(F)c3)nn12)c1ccccc1F 16837580 DOJACRRIOQXUGT-UHFFFAOYSA-N 420.466 3.257 0 40 HGAB COc1ccc(C)cc1NC(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 16960496 DQBCHPPLAFRGAX-UHFFFAOYSA-N 402.516 3.359 0 40 HGAB COC(=O)c1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccco4)[C@@H]3C2=O)cc1 18209274 AIRJRZRRFRLGKT-UFYCRDLUSA-N 418.405 3.117 0 40 HGAB Cc1cc(-c2cc(=O)n([C@@H](C)C(=O)NCCc3ccccc3)nc2-c2ccco2)on1 19121099 CQNGTDUPSYRGRG-INIZCTEOSA-N 418.453 3.387 0 40 HGAB Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)N1CCCC[C@@H]1C)CC1(CCN(C)CC1)O2 19218370 XYFMLXJANBFNIQ-RBUKOAKNSA-N 413.562 3.084 0 40 HGAB CCC(=O)N1CCO[C@](Cc2ccccc2-c2ccc(F)cc2)(C(=O)NC2CC2)C1 19498985 WYOCRAOQLAXEHS-DEOSSOPVSA-N 410.489 3.321 0 40 HGAB CN1CCC(c2nc(O)cc([C@@H]3CCCN(C(=O)Cc4ccc(F)cc4)C3)n2)CC1 19588194 CMMSWGRFAWIFFU-GOSISDBHSA-N 412.509 3.079 0 40 HGAB O=C(CN1CCC(Cc2ccccc2)CC1)N1CCCN(Cc2ccccn2)CC1 19660656 AHSHCXKPPRABFY-UHFFFAOYSA-N 406.574 3.071 0 40 HGAB Cc1nc(C2CCN(C(=O)c3cccnc3)CC2)nc2c1CCC(=O)N2CC(C)C 19703748 YVYOCRSSKLMFHB-UHFFFAOYSA-N 407.518 3.135 0 40 HGAB COc1ccc(N(CC(=O)NCC(C)C)S(=O)(=O)c2cc(C)ccc2C)cc1 20924847 PSQINQKEPSGWPD-UHFFFAOYSA-N 404.532 3.280 0 40 HGAB COc1ccc(-c2noc(COC(=O)c3ccc4c(c3)OCCCO4)n2)cc1OC 21417814 LCDJXGBFLDBADT-UHFFFAOYSA-N 412.398 3.272 0 40 HGAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)NCc2ccc(Cl)cc2)cc1 21821704 YGPMPXZUXUMJPD-UHFFFAOYSA-N 410.923 3.066 0 40 HGAB COc1ccc(OC)c(NC(=O)CN(c2ccccc2C(C)C)S(C)(=O)=O)c1 22382297 AAAHILQLBNSSTJ-UHFFFAOYSA-N 406.504 3.232 0 40 HGAB CS(=O)(=O)N(CC(=O)NCc1ccc(F)cc1)c1cc(Cl)ccc1Cl 22520760 ZOKPYUDWZVCGDA-UHFFFAOYSA-N 405.278 3.215 0 40 HGAB Cc1ccc(NC(=O)CN2c3ccccc3CC[C@H]2C)cc1S(=O)(=O)N(C)C 23055235 UEXJHHZWBVUEDK-MRXNPFEDSA-N 401.532 3.025 0 40 HGAB O=S(=O)(NC[C@H](c1cccs1)N1CCOCC1)c1cccc2ccccc12 23107947 NGMHORDNVDPVEZ-GOSISDBHSA-N 402.541 3.253 0 40 HGAB O=C(Cc1ccc(-c2ccccc2)cc1)NCCCN1CCN(c2ncccn2)CC1 23894674 HAABXJYDTDDAMY-UHFFFAOYSA-N 415.541 3.015 0 40 HGAB O=C(NC1CCCC1)C1CCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)CC1 24428530 UDAXPJUCDSWOLM-UHFFFAOYSA-N 420.453 3.045 0 40 HGAB O=C(c1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1)N1CCN(CCO)CC1 25637980 XRGLQYPLCJOBNM-UHFFFAOYSA-N 424.932 3.002 0 40 HGAB Cc1ccc(/C=C/C(=O)Nc2cccc(C)c2C(=O)N2CCC(C(N)=O)CC2)s1 27292527 BLGVIIDTDWYYRS-CMDGGOBGSA-N 411.527 3.354 0 40 HGAB Cc1ccccc1-n1ncc(C(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)c1C1CC1 29760924 JTZSIBRYDACKAS-UHFFFAOYSA-N 410.499 3.266 0 40 HGAB CCN(C(=O)[C@@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1)c1ccccc1C 32753805 PWWRHQULHQIHBI-QGZVFWFLSA-N 411.527 3.209 0 40 HGAB COCCCn1c(C(=O)Nc2cc(C)ccc2OC)cc2c(=O)n3ccccc3nc21 33557570 GFAIAPDVNUFOIC-UHFFFAOYSA-N 420.469 3.255 0 40 HGAB O=C(O)c1cccc(-n2cccc2/C=C2/C(=O)N(Cc3ccco3)C(=O)N=C2O)c1 34897137 RYLXFIGIICIEKT-GZTJUZNOSA-N 405.366 3.271 0 40 HGAB O=C(NCc1ccccc1)NC1(C(=O)NCc2ccnc(N3CCCC3)c2)CCCC1 40050904 RMYXUFIFGRUUEK-UHFFFAOYSA-N 421.545 3.110 0 40 HGAB Cc1nc2ccccc2nc1CS(=O)(=O)[C@@H](C(=O)N1CCCC1)c1ccccc1 40121895 KWEWTEXSNOJOHA-OAQYLSRUSA-N 409.511 3.217 0 40 HGAB Cc1nc(COc2ccc(C(=O)N[C@@H](CN3CCCC3=O)c3ccccc3)cc2)no1 40122156 PLJSCTXYWKQNRE-FQEVSTJZSA-N 420.469 3.051 0 40 HGAB CCOc1ccc(N([C@@H](C)C(=O)N[C@@H](C)c2ccc(C)cc2)S(C)(=O)=O)cc1 44903208 YMBIIFLRHWIYFP-IRXDYDNUSA-N 404.532 3.426 0 40 HGAB COc1ccc(NC(=O)[C@H]2CCCN2C(=O)Nc2cccnc2N2CCCC2)cc1 47540584 ZATWFKJWVOYCHW-LJQANCHMSA-N 409.490 3.325 0 40 HGAB COc1cc2c(cc1NC(=O)N1CCC[C@@H](NS(C)(=O)=O)C1)oc1ccccc12 47702278 DRMDLBGWHXVQSK-CYBMUJFWSA-N 417.487 3.140 0 40 HGAB CN1c2ccc(F)cc2C(=O)NC12CCN(C(=O)c1ccc(F)c(Cl)c1)CC2 49410044 LBPQRXILPDAZEM-UHFFFAOYSA-N 405.832 3.430 0 40 HGAB CCc1ccccc1NC(=O)Cn1ncn2nc(-c3cc(C)ccc3C)cc2c1=O 51317015 QZQGFRFQADZRHS-UHFFFAOYSA-N 401.470 3.376 0 40 HGAB COCCCNC(=O)CC/C(C)=C/Cc1c(OC)c(C)c2c(c1OC)C(=O)OC2 62001714 MLGYVUPBVUFPJI-VGOFMYFVSA-N 405.491 3.104 0 40 HGAB biogenic Cc1cc2c(cc1C(=O)Nc1ccc(OCCN3CCOCC3)cc1)OCCCO2 65315036 MWSUIPYFIBTYKX-UHFFFAOYSA-N 412.486 3.120 0 40 HGAB O=C1C[C@@H](c2ccccc2)N(C(=O)CSc2ccc(C(F)(F)F)cn2)CCN1 65488730 BKDPTIKBGICMGA-HNNXBMFYSA-N 409.433 3.282 0 40 HGAB O=C1CO[C@H]2CN(Cc3ccc(F)cc3)C[C@H]2N1Cc1ccc(OC(F)(F)F)cc1 67897318 SLUKCFUYLOJTBP-MOPGFXCFSA-N 424.394 3.336 0 40 HGAB biogenic,in-vitro C[C@H](Oc1ccccc1)c1nnc(SCC(=O)N2CCOCC2)n1-c1ccccc1 72190867 ONFUVHHTRQHEFE-KRWDZBQOSA-N 424.526 3.358 0 40 HGAB Cc1cc(C(C)(C)C)oc1C(=O)N1CCC2(CC1)Nc1ccccc1S(=O)(=O)N2 72325713 QHVUSBVDHYZJGJ-UHFFFAOYSA-N 417.531 3.222 0 40 HGAB COCc1ccc(CN2CCC(c3nc(C)c(C)c(N4CCOCC4)n3)CC2)o1 72337257 FHHZJEPQQFIVAI-UHFFFAOYSA-N 400.523 3.049 0 40 HGAB CC(=O)Nc1cccc(-c2nccnc2[C@@H]2CCCN(C(=O)Cc3ccncc3)C2)c1 72358847 YFHYMHQASYYMHQ-HXUWFJFHSA-N 415.497 3.446 0 40 HGAB CC(C)(CCC(=O)OC(C)(C)C)NC(=O)Nc1cccc(Cn2cccnc2=O)c1 79059785 OLMVBTLAMFGXQM-UHFFFAOYSA-N 414.506 3.314 0 40 HGAB COc1ccc(N[C@H](C)c2c(F)cccc2F)cc1S(=O)(=O)N1CCOCC1 84647292 NLSFAYZLJPIFDQ-CYBMUJFWSA-N 412.458 3.167 0 40 HGAB COc1ccc([C@](C)(O)[C@@H]2CCCN2C(=O)Nc2ccc(C(N)=O)c(Cl)c2)cc1 89904819 OBPICHLUTZHFJA-RXVVDRJESA-N 417.893 3.352 0 40 HGAB CCOC(=O)[C@H](c1cc(Cl)cc(Cl)c1)N(CC)C(=O)CCOCCOC 89960799 WEYXLDBLVDVQGO-KRWDZBQOSA-N 406.306 3.499 0 40 HGAB Cc1sc2ncc(C(=O)NC[C@@H](O)c3cc(Cl)cc(Cl)c3)c(=O)n2c1C 95463078 UPVFSHBLUJFRQY-CQSZACIVSA-N 412.298 3.143 0 40 HGAB O=C(C[C@@H]1CC2(CCN(C(=O)c3ccoc3)CC2)c2ccccc21)N1CCOCC1 96052825 SGNBUMKUZVFRND-LJQANCHMSA-N 408.498 3.190 0 40 HGAB COc1ccc(CCN2C[C@H]3CCN(Cc4ccccc4)CC[C@H]3S2(=O)=O)cc1 96263739 WGTMTXCCWKZFPQ-FYYLOGMGSA-N 414.571 3.164 0 40 HGAB CC[C@@H](c1ccncc1)N(C)S(=O)(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1 97103147 PCSLEXBRPQSGSN-HNNXBMFYSA-N 422.450 3.147 0 40 HGAB O=C([C@@H]1C[C@@H]2C=C[C@@H]1C21CC1)N1CCC[C@@H]([C@@H]2C[C@H](C(F)F)n3ncnc3N2)C1 100151308 RJUQHNSGOGRRGE-IAFLNBNSSA-N 403.477 3.109 0 40 HGAB O=C(Nc1cccc(I)c1)/C(O)=C1\C(=O)Nc2ccccc21 100451062 DRPLODYUTGFBLU-BUHFOSPRSA-N 406.179 3.151 0 40 HGAB O=C(CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1 102235688 WSSCDLCUFWYAEO-GASCZTMLSA-N 421.419 3.195 0 40 HGAB O=C(CSCc1cc(=O)n2nc(-c3ccccc3)[nH]c2n1)Nc1ccc(F)cc1 102621328 ASFDPCQRGPEZHO-UHFFFAOYSA-N 409.446 3.096 0 40 HGAB CN(CCNC(=O)CN1c2ccccc2-c2ccccc2S1(=O)=O)c1ccccc1 219155154 YKVMQQLDBAECKW-UHFFFAOYSA-N 421.522 3.115 0 40 HGAB CC[C@H](C(=O)Nc1cc(C(=O)OC)ccc1C)N(c1ccccc1F)S(C)(=O)=O 220592654 GCMLUYUABHNZTN-QGZVFWFLSA-N 422.478 3.104 0 40 HGAB CC[C@H](C(=O)N[C@H](C)c1ccc(C)cc1)N(c1cccc(OC)c1)S(C)(=O)=O 220631156 TYUODYMVDWULGZ-OXQOHEQNSA-N 404.532 3.426 0 40 HGAB CC(C)n1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1CCCN1CCOCC1 223192959 AKWGVBPBAONUNA-SFTDATJTSA-N 413.591 3.159 0 40 HGAB COc1cccc(-c2noc(CN(C)C(=O)c3ccc(Cn4ccnc4)cc3)n2)c1 224250048 ZFJLMODDVKBFLI-UHFFFAOYSA-N 403.442 3.262 0 40 HGAB Cc1cccc(CCCNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)c1 225506797 UTUFPIPCLQSGMS-HXUWFJFHSA-N 400.544 3.145 0 40 HGAB C[C@@H](Cc1ccc2c(c1)CCO2)NS(=O)(=O)c1ccccc1OC(F)(F)F 225603144 HBJOLWROGNQNIO-LBPRGKRZSA-N 401.406 3.430 0 40 HGAB Cc1ccc(C)c(N2CCN(C(=O)c3ccnc(OCC4CCOCC4)c3)CC2)c1 245053528 OYLCKWRSCHWVEQ-UHFFFAOYSA-N 409.530 3.466 0 40 HGAB CC(C)(Oc1ccc(Cl)cc1)C(=O)NCC1CCN(c2ncc(F)cn2)CC1 252482585 DJSQFAAZKUHAOI-UHFFFAOYSA-N 406.889 3.459 0 40 HGAB CN(C(=O)c1ccccn1)[C@H]1CC[C@@]2(CCO)C[C@H](c3ccccc3)C[C@](C)(O2)[C@@H]1O 257211533 BZGGVJDIZHXXJU-YYCSQBPTSA-N 424.541 3.151 0 40 HGAB O=C1COc2ccccc2CCCC[C@@H]2CN(C(=O)CCc3cccnc3)CC[C@H]2N1 257216928 CWSJVCUATOEPRZ-FGZHOGPDSA-N 421.541 3.153 0 40 HGAB Cc1ccccc1CC(=O)N1C[C@@H](c2nccs2)[C@@]2(CCN(CC(C)C)C2=O)C1 306124714 BXLSKBPVZXPSLF-WMZHIEFXSA-N 411.571 3.495 0 40 HGAB CC(C)CCNC(=O)COc1ccc(S(=O)(=O)N2CCCCC2)cc1Cl 408527581 DZLXUJKNNBVASG-UHFFFAOYSA-N 402.944 3.056 0 40 HGAB CC(=O)Nc1cccc(NC(=O)CN(c2cccc3ccccc23)S(C)(=O)=O)c1 408606425 KHUYGNDGJPWTKL-UHFFFAOYSA-N 411.483 3.203 0 40 HGAB COc1ccc(NC(=O)CN(Cc2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cc1 408618784 FVGFSQHIISZNJY-UHFFFAOYSA-N 417.314 3.402 0 40 HGAB COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)C1=O 409068420 AMNBPJJCTFTSEN-KXUVPBGPSA-N 401.396 3.243 0 40 HGAB Cc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(=O)Nc1cccc(C)c1C 409388500 DBFJFAQKWCKFHE-UHFFFAOYSA-N 402.516 3.414 0 40 HGAB CCc1ncnc(O[C@H]2CCN(C(=O)COc3cccc(C(F)(F)F)c3)C2)c1F 575413879 KEHMGLJGHSHJAS-AWEZNQCLSA-N 413.371 3.256 0 40 HGAB CCCCc1ccc(NC(=O)c2c3c(nn2[C@H]2CCS(=O)(=O)C2)CCC3)cc1 585188759 OSHSTNNTWULOQS-KRWDZBQOSA-N 401.532 3.326 0 40 HGAB CCOC(=O)c1sc2ncc(S(=O)(=O)Nc3cccc4n[nH]cc34)cc2c1C 608852317 VKDJIUHMPBARRB-UHFFFAOYSA-N 416.484 3.459 0 40 HGAB O=C(Nc1ccc(F)c(N2CCCS2(=O)=O)c1)c1cccc2cc(O)ccc12 1542896438 UKUMNIGUPPOLHZ-UHFFFAOYSA-N 400.431 3.477 0 40 HGAB Cc1cc(C)n(-c2ccc(N3CCN(c4cc(C(F)(F)F)ccn4)CC3)nn2)n1 1888897583 DAKQDFSILJTZEX-UHFFFAOYSA-N 403.412 3.020 0 40 HGAB CO[C@H]1CN(Cc2cc3ccccc3[nH]2)CCCCc2ccccc2OC[C@@H](O)[C@H]1O 2037971328 LYMIKUYVCHYLDT-PZUNEJSGSA-N 424.541 3.122 0 40 HGAB Cc1nc(CN2CC3(CCN(C(=O)Cc4noc5ccccc45)CC3)CC2=O)cs1 2055796231 WGGDTPUVBFCWNG-UHFFFAOYSA-N 424.526 3.177 0 40 HGAB COc1cccc(NC(=O)C2=C(C)NC(=S)N[C@@H]2c2cc(OC)ccc2OC)c1 641404 VOLITABCBUKMQZ-LJQANCHMSA-N 413.499 3.144 0 40 HGAB CC(C)Cn1c(=O)c2ccccc2n2c(SCC(=O)NC3CCCCC3)nnc12 1331806 QURWRCALSLFIDO-UHFFFAOYSA-N 413.547 3.241 0 40 HGAB O=C1c2ccccc2C(=O)N1OCCCCCCON1C(=O)c2ccccc2C1=O 1761379 SJMPDHLRIOOSBS-UHFFFAOYSA-N 408.410 3.002 0 40 HGAB COc1ccc(NC(=O)CSc2nc3sc(C)c(C)c3c(=O)n2C)c(OC)c1 2384074 NZXKNXHKMCPVHW-UHFFFAOYSA-N 419.528 3.360 0 40 HGAB Cc1c(Cl)cccc1NC(=O)COC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 2612625 JDZZNJIDNDITNC-ZDUSSCGKSA-N 404.825 3.322 0 40 HGAB Cc1ccc(S(=O)(=O)c2nnn3c2nc(NC[C@@H]2CCCO2)c2ccccc23)cc1 2690474 QZNRFIVDGBRAHK-HNNXBMFYSA-N 423.498 3.010 0 40 HGAB CC(=O)Nc1ccc(S(=O)(=O)N2CCN=C2SCc2ccc(F)cc2)cc1 2711444 YXOQNIXLWOLEIB-UHFFFAOYSA-N 407.492 3.078 0 40 HGAB CCCOc1ccc(C(=O)CCC(=O)OCC(=O)Nc2ccc3c(c2)OCO3)cc1 3475643 JGKNQDKSSLUUEZ-UHFFFAOYSA-N 413.426 3.349 0 40 HGAB CN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@@H]2CCCO2)c1 3477489 ALOCXAGXEKPJKS-HNNXBMFYSA-N 414.955 3.202 0 40 HGAB CCOC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OCC)[C@@H]1c1ccc(C(C)(C)C)cc1 4112399 WQOSIFNKORDPQG-ZQAYVECASA-N 404.503 3.150 0 40 HGAB COc1ccc(N2C[C@@H](NC(=O)NCCn3c(C)cc4ccccc43)CC2=O)cc1 4273350 YHUZVPBDGYVBOF-SFHVURJKSA-N 406.486 3.063 0 40 HGAB COc1ccc2c(c1)[C@@H]1C[C@](C)(O2)N(C)C(=O)[C@@H]1S(=O)(=O)c1ccc(C)c(C)c1 4315865 VNXZQQDHECMJME-DWLFOUALSA-N 415.511 3.209 0 40 HGAB Cc1ccc(CSCCNC(=O)[C@H](C)N(c2ccccc2)S(C)(=O)=O)cc1 4590752 ZANMOWYJAUATTR-KRWDZBQOSA-N 406.573 3.199 0 40 HGAB Cn1nc(-c2ccccc2F)c2cc(C(=O)NCCCN3CCCC3=O)sc21 5022637 HQOFGIDMRBLVHV-UHFFFAOYSA-N 400.479 3.183 0 40 HGAB COCCn1c(S[C@H](C(=O)N2CCCC2)c2ccccc2)nc2ccccc2c1=O 5473078 FFCBUFALCPGCKG-FQEVSTJZSA-N 423.538 3.499 0 40 HGAB CS(=O)(=O)Nc1nc2n(n1)[C@@H](c1ccccc1)C[C@@H](c1ccc(Cl)cc1)N2 5497974 SILXYWQSVVPELK-JKSUJKDBSA-N 403.895 3.449 0 40 HGAB COC[C@H](C)n1c(SCC(=O)N[C@H]2CCCC[C@H]2C)nc2ccccc2c1=O 5786622 CJKNTCGCIDLXNM-VYDXJSESSA-N 403.548 3.391 0 40 HGAB CCCOc1ccc(C(=O)NC(=S)Nc2sc3c(c2C(N)=O)CCC3)cc1 6265017 MJESRCLZHLMWNV-UHFFFAOYSA-N 403.529 3.251 0 40 HGAB Cc1c(I)cnn1CCC(=O)NC12CC3CC(CC(C3)C1)C2 6527569 MFYCQPVGIGQDCE-UHFFFAOYSA-N 413.303 3.271 0 40 HGAB CCCCNc1sc(S(=O)(=O)CC)nc1S(=O)(=O)c1ccc(C)cc1 6751869 NROZRQWRKDNOAI-UHFFFAOYSA-N 402.563 3.290 0 40 HGAB CCCOc1cccc(C(=O)N(Cc2ccccc2F)[C@@H]2CCS(=O)(=O)C2)c1 6811076 XXJHALUGAXWESE-GOSISDBHSA-N 405.491 3.444 0 40 HGAB CN(c1ccccc1)S(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2)s1 6818281 VWHXKLVQUWQIFY-UHFFFAOYSA-N 408.892 3.269 0 40 HGAB O=C(NCCc1cccc(F)c1)C1=NN(c2c(F)c(F)cc(F)c2F)C(=O)CC1 7124130 YDOCVSUPHMCBCB-UHFFFAOYSA-N 411.330 3.224 0 40 HGAB O=C(CN1CCC[C@@H](c2nc3ccccc3s2)C1)N1CCN(c2ccccn2)CC1 7554451 ZBWIXZCTIYQNEP-GOSISDBHSA-N 421.570 3.220 0 40 HGAB COc1ccc(CCNC(=O)COc2cccc(C(=O)NCc3ccccc3)c2)cc1 8121233 YVBNDCPGMSYCHI-UHFFFAOYSA-N 418.493 3.363 0 40 HGAB CN(Cc1ccc(Br)s1)C(=O)CN1C(=O)CCOc2ccccc21 8387692 UAWXPCKOQOLSEH-UHFFFAOYSA-N 409.305 3.285 0 40 HGAB CCOc1ccc(NC(=O)[C@@H](C)Oc2ccc(C)cc2)cc1S(=O)(=O)N(C)C 8770224 YNNVBZBQVAHPBS-OAHLLOKOSA-N 406.504 3.050 0 40 HGAB CCc1c(C)sc2nc(/C(=C\c3ccsc3)C(=O)N3CCOCC3)[nH]c(=O)c12 8878046 WFFHSCQSTUCRPR-XNTDXEJSSA-N 415.540 3.316 0 40 HGAB COc1ccc2c(c1OC)C(=O)O[C@@H]2N1C(=O)CC[C@H]1C(=O)Nc1cc(C)cc(C)c1 9034133 NKTAXMKKOXGCRS-AOMKIAJQSA-N 424.453 3.119 0 40 HGAB biogenic Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1nc2c(s1)CCC2 9500307 OKFSQGLSSAJJFX-UHFFFAOYSA-N 405.545 3.367 0 40 HGAB COc1ccc(N2C[C@@H](C(=O)N3CCc4[nH]c5ccccc5c4C3)CC2=O)c(OC)c1 9955949 SBYCQUVZVYXHOO-HNNXBMFYSA-N 419.481 3.123 0 40 HGAB biogenic O=C(Nc1ccc(CN2CCCC2)cc1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 10219472 GTADEWDEUHSWHI-GOSISDBHSA-N 421.497 3.045 0 40 HGAB NC(=O)[C@H](NC(=O)c1cc(-c2ccccc2)c(N2CCOCC2)s1)c1ccccc1 10268438 CXGUNVNODBXWRG-HXUWFJFHSA-N 421.522 3.208 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2nc3c(s2)C[C@@H](C)CC3)cc1 12360993 RLTGZTOMNOARAI-YOEHRIQHSA-N 419.572 3.368 0 40 HGAB Cc1cc(N2CCN([C@@H](C)C(=O)Nc3ccc(N(C)C)cc3)CC2)nc(C(C)C)n1 12639296 GFTSAZWJEBHGTO-SFHVURJKSA-N 410.566 3.124 0 40 HGAB CS(=O)(=O)Nc1cc(NS(=O)(=O)c2cc(Cl)ccc2Cl)ccc1F 12775099 IIPNSZRCBAMHRO-UHFFFAOYSA-N 413.279 3.305 0 40 HGAB COc1cc(/C=C/C(=O)Nc2ccc3c4c(cccc24)CC3)ccc1OCC(N)=O 12824272 HPELLOLNIILRCK-WUXMJOGZSA-N 402.450 3.463 0 40 HGAB O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)C1=Cc2cc(Cl)ccc2OC1 13002989 JNNBLYQWZSLKPE-FQEVSTJZSA-N 416.880 3.445 0 40 HGAB Cc1nc2c3ccccc3nc(SCc3nc(N)nc(Nc4ccccc4)n3)n2n1 13229882 XQNOVNOKVIJXBM-UHFFFAOYSA-N 415.486 3.389 0 40 HGAB COc1ccc(OC)c(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCC3)c2)c1 13583078 IJKBRUWIGHNBFQ-UHFFFAOYSA-N 404.488 3.049 0 40 HGAB Cc1nc(-c2ccccc2)cc([C@H]2CN3CC[C@H]2C[C@@H]3CNC(=O)CCCC(=O)O)n1 15672519 QEOAOTYXPSRYLX-ZCNNSNEGSA-N 422.529 3.001 0 40 HGAB biogenic,in-vitro CC(=O)NC(=S)Nc1ccccc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 17090908 LNFXNQMWDKSXOT-UHFFFAOYSA-N 416.934 3.135 0 40 HGAB CCOC(=O)c1c(NC(=O)[C@@H](C)Sc2nnc(C)c(O)n2)sc2c1CCCC2 17975567 LCWZDRPUTYYENQ-SNVBAGLBSA-N 422.532 3.122 0 40 HGAB OCCn1ncc(-c2ccnc(N3CCCC3)n2)c1[C@@H]1CCCN1C[C@H]1CC=CCC1 19404207 BAJDLLXLZXJYKP-UGKGYDQZSA-N 422.577 3.426 0 40 HGAB C[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCCN3C(=O)COc3cccnc3)cc2N1 19574754 XUOWIRQYEPAUMO-DAXOMENPSA-N 409.412 3.328 0 40 HGAB CNC(=O)[C@@]1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)Cc2ccccn2)C1 19591522 XTEHJGQZKIKJKF-AREMUKBSSA-N 413.521 3.499 0 40 HGAB COc1cc(OC)c(C(=O)N2CCO[C@@H](c3cc4ccccc4cn3)C2)cc1OC 19594948 FXPZIBYWHXDNOC-JOCHJYFZSA-N 408.454 3.474 0 40 HGAB C/C(=C\c1ccccc1)CN1CCO[C@@H](c2nc(N(C)C)ncc2-c2cncnc2)C1 19692663 KMJGMLAXNOSYRG-OJHVLRHSSA-N 416.529 3.476 0 40 HGAB NC(=O)CSc1nnc(CNc2ccccc2)n1-c1cccc(C(F)(F)F)c1 19897510 YMLRITKCRCJKSW-UHFFFAOYSA-N 407.421 3.476 0 40 HGAB CSc1ccc([C@@H](C)NC(=O)CCc2ccc(S(=O)(=O)N(C)C)cc2)cc1 20024427 PDAYHOHZWCRBFX-OAHLLOKOSA-N 406.573 3.469 0 40 HGAB CSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 20483476 SGHQJZRHOHOJKH-UHFFFAOYSA-N 400.485 3.252 0 40 HGAB C[C@H]1CCN(C(=O)COC(=O)c2ccc([S@@](C)=O)cc2)c2ccccc2S1 21647195 VLQZMLPUMNPVLF-PWFNWSNSSA-N 403.525 3.498 0 40 HGAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CN(c1cccc(F)c1)S(C)(=O)=O 22363427 JTTYMQVYKVMIFD-GOSISDBHSA-N 420.506 3.319 0 40 HGAB CCCOc1ccc(N(CC(=O)Nc2ccccc2OCC)S(C)(=O)=O)cc1 22381191 IJWDWSNTWYWSJN-UHFFFAOYSA-N 406.504 3.279 0 40 HGAB O=C1[C@@H]2CC=CC[C@H]2C(=O)N1CN1CCN(C(c2ccccc2)c2ccccc2)CC1 22920625 PFCQTBJQZLDYPM-DHIUTWEWSA-N 415.537 3.302 0 40 HGAB C[C@@H](NC(=O)CN1CCC(NC(=O)c2ccc(F)cc2)CC1)c1ccc(F)cc1 23147536 WMTKEULAVGEMOF-OAHLLOKOSA-N 401.457 3.036 0 40 HGAB C/C=C/c1ccc(OC[C@H](O)CN2CCN(Cc3ccsc3)CC2)c(OC)c1 23254159 AINJBFIJAMEXCW-WUUFJKRQSA-N 402.560 3.347 0 40 HGAB O=C(CN1CCCN(Cc2ccccc2)CC1)Nc1ccc2c(c1)OC(F)(F)O2 23354728 VWKGCFZLJHXHLR-UHFFFAOYSA-N 403.429 3.155 0 40 HGAB Cc1nn(-c2ccccc2)c(C)c1C(=O)N1CCN(CCOc2ccccc2)CC1 23787365 ADZQZQWHHNCPCY-UHFFFAOYSA-N 404.514 3.326 0 40 HGAB O=c1c2c(-c3cccs3)csc2nc(CN2CCOCC2)n1C[C@H]1CCCO1 23873125 XDZRFECMMYVCOW-CQSZACIVSA-N 417.556 3.198 0 40 HGAB CSCC[C@@H](NC(=O)c1ccco1)C(=O)NCc1ccc(OC(F)(F)F)cc1 24831703 KPYCJAMYLKLMMP-CQSZACIVSA-N 416.421 3.346 0 40 HGAB O=C(COc1ccc(-n2cnnn2)cc1)N(Cc1ccc(F)cc1)Cc1ccco1 27794484 PNDVFNITZOUYCZ-UHFFFAOYSA-N 407.405 3.002 0 40 HGAB O=C(CCNS(=O)(=O)c1ccc2c(c1)CCCC2)N[C@@H]1CCCc2ccccc21 28644009 JJTGPGPJYFDLFU-JOCHJYFZSA-N 412.555 3.428 0 40 HGAB O=C1Nc2ccccc2O[C@H]1CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 29471795 KXJOYHKIBBEHMJ-UTKZUKDTSA-N 408.454 3.301 0 40 HGAB Cc1cccn2c(=O)cc(CN3C(=O)N[C@@](C)(c4cccc5ccccc45)C3=O)nc12 31632888 QNKGKUKILACGPW-DEOSSOPVSA-N 412.449 3.123 0 40 HGAB CCS(=O)(=O)N1N=C(c2ccc(F)cc2OC)C[C@H]1c1ccc2nccnc2c1 32608430 SBCNLBWMPUQRNU-IBGZPJMESA-N 414.462 3.278 0 40 HGAB CSCC[C@@H](NC(=O)[C@@H]1CCCN(c2ncccn2)C1)c1nc2ccccc2[nH]1 32614267 MZFZNYVSMAQKFV-CRAIPNDOSA-N 410.547 3.180 0 40 HGAB O=C(NC[C@@H](c1ccccc1)N1CCCC1)C1CCN(c2ccc(Cl)nn2)CC1 32779891 BUKYQWMKLBWKAX-IBGZPJMESA-N 413.953 3.300 0 40 HGAB CCOc1ccc(-c2nc(-c3cccc(OCC(=O)N4CCOCC4)c3)no2)cc1 33327417 SIASYWWBLKBFQZ-UHFFFAOYSA-N 409.442 3.040 0 40 HGAB CCn1ccc(CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2cn(C)nc2C)n1 36615261 SBPRGXKYTFPYPU-UHFFFAOYSA-N 401.536 3.464 0 40 HGAB O=C(Nc1nnc(CCOc2ccccc2Cl)s1)c1cnn2cccnc12 36752230 VYDWSRNFYJYNCG-UHFFFAOYSA-N 400.851 3.108 0 40 HGAB O=C(CCN1C(=O)c2ccccc2C1=O)NCc1ccnc(Oc2ccccc2)c1 40110559 DSLAIVSRTBDDNM-UHFFFAOYSA-N 401.422 3.176 0 40 HGAB Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(Nc4ccc(F)cc4)[nH]c(=O)c32)cc1C 40399615 CHBWCLVXTCLHMA-MRXNPFEDSA-N 421.432 3.334 0 40 HGAB CS(=O)(=O)N1C[C@@H](C(=O)Nc2ccc(OC3CCCC3)cc2)Oc2ccccc21 44917340 IYABRCGXHUJHAO-FQEVSTJZSA-N 416.499 3.174 0 40 HGAB CCN(Cc1ccc2c(c1)OCO2)C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 45255879 NCBGZYLROZSYIO-CQSZACIVSA-N 404.488 3.112 0 40 HGAB CC(C)(C)c1ccc(CCNC(=O)N2CCC(C(=O)Nc3nncs3)CC2)cc1 56399162 DCRLIJYZIFMXIY-UHFFFAOYSA-N 415.563 3.438 0 40 HGAB CCn1cc(S(=O)(=O)Nc2ccccc2OCCN2CCC(C)CC2)c(C)n1 57823204 UJLKCYLDYQHSTO-UHFFFAOYSA-N 406.552 3.123 0 40 HGAB COc1ccc(NC(=O)[C@@H]2CCCCN2CC(=O)OCc2ccccc2)cc1OC 57837927 XPBJFHUEJRQHPO-IBGZPJMESA-N 412.486 3.240 0 40 HGAB CC(C)[C@@H](C(=O)NC[C@H]1COc2ccccc2O1)n1cnc2cc(F)c(F)cc21 58162090 DWVLEVYJXHLGQZ-RBZFPXEDSA-N 401.413 3.468 0 40 HGAB O=C1N[C@H](Cc2ccccc2)C(=O)N1CN1CCC[C@@H]1c1ccc2c(c1)OCCCO2 58169705 MQGMAMITYMZION-WOJBJXKFSA-N 421.497 3.105 0 40 HGAB C[C@@](O)(CCc1ccccc1)CNC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 61975831 CMHRYPYBKYLLAX-HTAPYJJXSA-N 400.906 3.193 0 40 HGAB COC(=O)c1cc(OCC(=O)Nc2ccc(F)cc2)c2cc(OC)c(OC)cc2n1 65033461 KRSGYDHCCFHYGL-UHFFFAOYSA-N 414.389 3.195 0 40 HGAB O=C(CN1CCN(CCSc2ccnc3cc(Cl)ccc23)CC1)N1CCCC1 79025916 VUPMCIZVMSPFMF-UHFFFAOYSA-N 418.994 3.220 0 40 HGAB CC(C)(C)OC(=O)N[C@@H]1CCCCCC[C@@H]1C(=O)NCCc1nnc2ccccn12 79098511 ZAVDMSDWALSNEH-DLBZAZTESA-N 415.538 3.252 0 40 HGAB CCn1ncc2c(C(=O)N[C@H]3CCCCC[C@@H]3C(N)=O)cc(-c3cccs3)nc21 79099455 BUSGVHSRYLQCIO-BBRMVZONSA-N 411.531 3.344 0 40 HGAB C[C@@H](C(=O)Nc1ccc(OC(F)F)c(Cc2ccccc2)c1)N1CCN(C)CC1 84037366 WBZIJVNIWMSGIN-INIZCTEOSA-N 403.473 3.453 0 40 HGAB O=C(NC[C@H](Cc1ccccc1)NC(=O)c1coc(C2CC2)n1)c1coc(C2CC2)n1 95942145 OCXFRSUFNLYMFT-KRWDZBQOSA-N 420.469 3.189 0 40 HGAB COCc1ncc(-c2noc([C@@H](C)Oc3ccc(C)cc3Br)n2)c(N)n1 95942981 SQALJEOOGMEONN-SNVBAGLBSA-N 420.267 3.466 0 40 HGAB COC(=O)C[C@H](c1ccc(O)c(OC)c1)c1c(O)n[nH]c1Cc1ccc2c(c1)CCO2 96222543 BYEPZXWEQAHUCF-MRXNPFEDSA-N 424.453 3.050 0 40 HGAB biogenic CC(C)COC(=O)[C@H]1C(=O)C[C@@](C)(O)[C@H](C(=O)OCC(C)C)[C@@H]1c1cccc(F)c1 102693833 MOBZJTQVGSXGLX-QTDGGUCWSA-N 422.493 3.264 0 40 HGAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1 195544604 VQDDBDIDHFCTEY-XFEYQPKCSA-N 408.564 3.039 0 40 HGAB CC(C)Oc1cccc(N(CC(=O)N[C@H](C)c2ccc(F)cc2)S(C)(=O)=O)c1 220112739 BLFOFUAVCBHIFM-OAHLLOKOSA-N 408.495 3.256 0 40 HGAB CC[C@@H](C(=O)Nc1cc(C)ccc1OC)N(c1ccc(OC)cc1)S(C)(=O)=O 220643176 DWKDLNGMJVAGPY-SFHVURJKSA-N 406.504 3.196 0 40 HGAB Cc1cc(C)cc(N(CCCC(=O)NCCSCc2ccco2)S(C)(=O)=O)c1 222568875 OMWCJAABXFQWGP-UHFFFAOYSA-N 424.588 3.492 0 40 HGAB CNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CSCc1ccc(OC)cc1 222827930 XKGNZJXJQWFZAH-MRXNPFEDSA-N 416.543 3.100 0 40 HGAB CC[C@H](C(=O)NCCOc1ccc(C)c(C)c1)N(c1ccc(F)cc1)S(C)(=O)=O 224310925 TXRMTRKBSNVCFW-HXUWFJFHSA-N 422.522 3.182 0 40 HGAB CCC[C@@H](C)NC(=O)c1ccc(OC)c(CN(C)S(=O)(=O)c2ccccc2)c1 224773679 VJINSBINAWNIHI-MRXNPFEDSA-N 404.532 3.434 0 40 HGAB CCCNC(=O)c1ccc(OC)c(CN(C)S(=O)(=O)c2ccc(Cl)cc2)c1 224787030 YMYQFNZHVKKAMP-UHFFFAOYSA-N 410.923 3.309 0 40 HGAB CCCOc1ccccc1CCCNS(=O)(=O)c1ccc(C)c(C(=O)OC)c1 225038285 ATWLCXPKIFOVLT-UHFFFAOYSA-N 405.516 3.482 0 40 HGAB CCOC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccc(OC)c(F)c1 225097536 MDAIDSGKNTYKKA-UHFFFAOYSA-N 401.843 3.246 0 40 HGAB COc1ccccc1OCCNC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1 225143314 LPLIEAQRQOQACA-MNDPQUGUSA-N 406.438 3.254 0 40 HGAB COc1cccc(OC)c1C(=O)N1CCS/C1=C/c1cnc(SC)nc1OC 225239532 XKHGCWNDFLKBFB-XNTDXEJSSA-N 419.528 3.412 0 40 HGAB COc1cccc(-c2noc(CN(C)S(=O)(=O)c3cc(Cl)ccc3OC)n2)c1 225428516 QQOWYOPCDTUDJK-UHFFFAOYSA-N 423.878 3.228 0 40 HGAB CCCCCCOc1ccc(OS(=O)(=O)c2ccc3c(c2)C(=O)NC3=O)cc1 226859987 VMCCQPMYTLXJQE-UHFFFAOYSA-N 403.456 3.297 0 40 HGAB O=C(NCC[C@@H]1CCCCN1C(=O)c1ccccc1Cn1cncn1)c1ccccc1 257214101 CKNABYXRFPAAQJ-NRFANRHFSA-N 417.513 3.141 0 40 HGAB CC(C)N1CCC(C(=O)N2CCC[C@@H](c3cccc(Nc4cnccn4)n3)C2)CC1 257284150 PBJZHWAWNJCVIX-LJQANCHMSA-N 408.550 3.442 0 40 HGAB CCC(=O)N1CCC[C@@H]1c1cc2nc(C)c(CCC(=O)NC3CCCC3)c(C)n2n1 257321010 VZRNJOXQEOGCEM-HXUWFJFHSA-N 411.550 3.411 0 40 HGAB Cc1cnc(C(=O)N[C@@H]2CCCC[C@]23CN(Cc2ccc4[nH]ccc4c2)CCO3)cn1 306125169 CIFZPOIZLDEIOL-VWNXMTODSA-N 419.529 3.210 0 40 HGAB CN1CCN(Cc2cccnc2)C[C@H]1c1nnn2cc(-c3cccc(F)c3)ccc12 306140969 VHUNQMRZAVESAX-QFIPXVFZSA-N 402.477 3.419 0 40 HGAB COc1ccc(NC(=O)C2CN(c3cc(-n4nc(C)cc4C)ncn3)C2)cc1Cl 390826634 OAPJOUOIVFCAGD-UHFFFAOYSA-N 412.881 3.016 0 40 HGAB COC(=O)c1ccccc1NC(=O)CSc1n[nH]c(COc2ccccc2F)n1 408528286 VNEBXDWUGXGTHR-UHFFFAOYSA-N 416.434 3.040 0 40 HGAB CCn1c(COc2ccccc2F)nnc1SCC(=O)NCc1ccccc1 408546489 KBKRWMMYVXZREC-UHFFFAOYSA-N 400.479 3.425 0 40 HGAB CCN(CC)C(=O)c1ccccc1NC(=O)c1ccc(NS(=O)(=O)CC)cc1 408700527 HMICSOIVLOHRSN-UHFFFAOYSA-N 403.504 3.183 0 40 HGAB CC(C)c1oc([C@H]2CCCN2C(=O)CCNS(C)(=O)=O)nc1-c1ccccc1 524819780 ONAHIQSTXJMZRA-MRXNPFEDSA-N 405.520 3.068 0 40 HGAB COc1cc2c(cc1OC)[C@@H](c1cccs1)N(CC(=O)NC1CCOCC1)CC2 590293532 ODTFTNPOZJRLFR-QFIPXVFZSA-N 416.543 3.008 0 40 HGAB CC(C)C(=O)N1CCCCCCCNCc2cc(C(=O)NCCCN(C)C)ccc21 643583532 GLFDEDOSALMEQU-UHFFFAOYSA-N 416.610 3.411 0 40 HGAB CC(C)(C)c1ccc(OCC2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)nn1 1775969768 KPYAVLBHVQGITD-UHFFFAOYSA-N 407.511 3.393 0 40 HGAB Cc1nc2cc(F)ccc2c(=O)n1CC1CCN(c2ncnc3cnccc23)CC1 1889224997 WAFSLRHVSVZKNX-UHFFFAOYSA-N 404.449 3.099 0 40 HGAB Cc1cc(C)cc(NC(=O)CN(c2ccccc2Br)S(C)(=O)=O)c1 857898 NPORCOCPFBHRBQ-UHFFFAOYSA-N 411.321 3.471 0 40 HGAB Cc1ccc(-n2nnnc2SCC(=O)Nc2nc3c(s2)CCCC3)c(C)c1 1353365 GVZFCGVZDLSYHG-UHFFFAOYSA-N 400.533 3.345 0 40 HGAB CCC(=O)N(Cc1ccc(OC)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 1378120 ZEDHMBJEVIWMTO-UHFFFAOYSA-N 408.454 3.247 0 40 HGAB CCc1cc2c(=O)c(-c3ccc4c(c3)OCCO4)coc2cc1OS(C)(=O)=O 2207432 HWYGPMVAXNLLAD-UHFFFAOYSA-N 402.424 3.132 0 40 HGAB aggregator,biogenic CC[C@@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)OCN1C(=O)c2ccccc2C1=O 2330911 AJWKIWTXRIHDPR-DNVCBOLYSA-N 424.453 3.124 0 40 HGAB Cc1cccc(NC(=O)CSc2nnc(-c3cnccn3)n2Cc2ccco2)c1 2374926 HNJMPTGXENVKMV-UHFFFAOYSA-N 406.471 3.416 0 40 HGAB NC(=O)CSc1oc(-c2ccc(F)cc2)nc1S(=O)(=O)c1ccc(F)cc1 2461002 MWULSACGQQWICC-UHFFFAOYSA-N 410.423 3.030 0 40 HGAB COc1ccccc1-n1cnnc1S[C@@H](C)C(=O)Nc1ccc(NC(C)=O)cc1 2726521 NLVOBLQSSBGDLE-ZDUSSCGKSA-N 411.487 3.354 0 40 HGAB Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)Cn1ccc(C(F)(F)F)n1 3231896 WKPSJHUPILHSRK-LSFURLLWSA-N 410.787 3.200 0 40 HGAB O=C(Oc1ccc(-n2cnnn2)cc1)c1ccccc1OCCOc1ccccc1 3349508 ZDTPAIMYQNIVRQ-UHFFFAOYSA-N 402.410 3.339 0 40 HGAB COc1ccc(CC(=O)OCC(=O)Nc2ncc(C(F)(F)F)cc2Cl)cc1 3357650 QNTUCVLMVVXYCG-UHFFFAOYSA-N 402.756 3.487 0 40 HGAB COC(=O)[C@@]1(C(F)(F)F)N=C2C=CC(Br)=CN2C(c2ccccc2)=N1 3616597 YAZQFDQMFDOKKA-OAHLLOKOSA-N 414.181 3.385 0 40 HGAB O=C(c1cccc(Br)c1)N1N=C(C(F)(F)F)C[C@]1(O)C(F)(F)F 4143242 PRSXTZUCPXNACB-JTQLQIEISA-N 405.092 3.464 0 40 HGAB COc1ccc(N(C(=O)COc2ccc(Cl)cc2)[C@@H]2C=CS(=O)(=O)C2)cc1 4165506 NLLQKGLILMTBFL-MRXNPFEDSA-N 407.875 3.071 0 40 HGAB CC(C)COC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OCC(C)C)[C@@H]1c1ccccc1 4615373 BRGRVHJIWQXPQK-URFJDIBFSA-N 404.503 3.125 0 40 HGAB CCOc1ccccc1NC(=O)COC(=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1 4942602 MLSRDZACOIGNJY-AWEZNQCLSA-N 416.861 3.274 0 40 HGAB COc1cc(OC)c([C@H]2CC(=O)N(c3cccc(C)c3)C3=C2C(=O)OC3)cc1OC 4944722 UAPJFHMMILBZJS-MRXNPFEDSA-N 409.438 3.352 0 40 HGAB COc1cc(OC)cc(C(=O)OCCCOC(=O)c2cc(OC)cc(OC)c2)c1 5109106 NHVJHVQVHBJWMJ-UHFFFAOYSA-N 404.415 3.125 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)OCCOc2ccc(F)cc2)c1 5801846 YNFYRLXXPCDXGS-UHFFFAOYSA-N 413.442 3.231 0 40 HGAB COC(=O)c1ccc(CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)cc1 6638050 KEDBMZYDQJQMJU-UHFFFAOYSA-N 400.434 3.469 0 40 HGAB CCOC(=O)C1=NN(c2ccccc2)[C@@]2(S1)SC(C(=O)OCC)=C(C)N2C 6810037 MCSRFEUZXYOAKM-GOSISDBHSA-N 407.517 3.201 0 40 HGAB CN(CC(=O)Nc1ccc(Cl)cc1)C(=O)CSc1nc(-c2ccccc2)n[nH]1 6879634 VSYMWCOAWRZRMQ-UHFFFAOYSA-N 415.906 3.314 0 40 HGAB COc1ccccc1C(=O)N[C@H](CCSC)C(=O)N[C@H]1CCOc2ccccc21 7217278 NMDOTXYHBLDLAL-ZWKOTPCHSA-N 414.527 3.187 0 40 HGAB C[C@H]1CCc2ccccc2N1CC(=O)NCC(=O)Nc1ccccc1Br 7217627 CCQALUILHKYHAP-AWEZNQCLSA-N 416.319 3.345 0 40 HGAB COc1ccc(Cl)cc1NC(=O)CN(C)S(=O)(=O)c1cccc(Cl)c1 7247731 OUVUFTYALHZGNR-UHFFFAOYSA-N 403.287 3.261 0 40 HGAB O=C(NCCSc1ccccc1)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 7434620 BZLOMPJFLVTGFA-HNNXBMFYSA-N 410.586 3.057 0 40 HGAB Cc1ccc(NC(=O)COC(=O)CCS(=O)(=O)c2ccc(C)c(C)c2)c(C)c1 7940034 ZUWGIYYCJPYEGC-UHFFFAOYSA-N 403.500 3.266 0 40 HGAB CN(Cc1ccccc1Br)C(=O)CN1C(=O)NC2(CCCCCC2)C1=O 8040155 XMLLHIWMOPFKFC-UHFFFAOYSA-N 422.323 3.052 0 40 HGAB COC(=O)c1cccc(NC(=O)CCCN(c2cccc(C)c2)S(C)(=O)=O)c1C 8041350 ZYMFGSFLLJKWSG-UHFFFAOYSA-N 418.515 3.275 0 40 HGAB Cc1cc(Br)ccc1NC(=O)CN(C)C[C@H]1COc2ccccc2O1 9052770 OKWWNTRVFDIARH-HNNXBMFYSA-N 405.292 3.468 0 40 HGAB O=C(COc1ccc(C(=O)c2ccc(F)cc2)cc1)NC[C@H]1COc2ccccc2O1 9222490 JIGACABANUGTSH-FQEVSTJZSA-N 421.424 3.392 0 40 HGAB O=C1S/C(=C\c2ccccc2F)C(=O)N1CCC(=O)N1CCCC[C@H]1CCO 9253826 OCUQAWCTDKRJFM-SUCHYCSPSA-N 406.479 3.016 0 40 HGAB CC(=O)C[C@@]1(O)C(=O)N(CCOc2ccc(C)cc2)c2ccc(Br)cc21 9872919 UMEHJRLTMYGGQD-FQEVSTJZSA-N 418.287 3.350 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cccc(Cl)c3)C2)cc1 9973830 BTNGRPZABDAPJP-AWEZNQCLSA-N 408.907 3.388 0 40 HGAB COc1ccc(CNC(=O)C(=O)Nc2c3c(nn2-c2ccccc2C)CSC3)cc1 10220915 NRJZPIFOYFUWHQ-UHFFFAOYSA-N 422.510 3.191 0 40 HGAB CC(C)n1ncc2c(C(=O)N3CCN(c4ncccn4)CC3)cc(-c3ccco3)nc21 10514157 IKWFDAGTIQBQIJ-UHFFFAOYSA-N 417.473 3.025 0 40 HGAB CC(C)c1ccccc1NC(=O)c1cccc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)c1 12030521 XADHALNCTAOQPR-QGZVFWFLSA-N 421.540 3.023 0 40 HGAB C[C@@H]1Cc2cc(C(=O)N3CCC[C@H]3c3nc4ccccc4[nH]3)ccc2N1S(C)(=O)=O 12601490 QOSDZMXCZFBCHL-VLIAUNLRSA-N 424.526 3.251 0 40 HGAB CCCNS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1 12756653 VUSVHPLNSQWDFS-UHFFFAOYSA-N 422.450 3.195 0 40 HGAB CC[C@H]1CN(S(=O)(=O)c2cc(Br)ccc2Br)CCO1 12805471 GQHVUBRNMJBQEK-JTQLQIEISA-N 413.131 3.011 0 40 HGAB O=C(NCc1ccccc1OC(F)(F)F)c1ccc(CN2C(=O)CCC2=O)cc1 12822018 AKTJDZAPVUGDHI-UHFFFAOYSA-N 406.360 3.164 0 40 HGAB O=C(C1CCN(c2nc(-c3ccccc3)c3ccccc3n2)CC1)N1CCOCC1 12856203 YAGJDPQQNYSNQH-UHFFFAOYSA-N 402.498 3.372 0 40 HGAB CCc1nc(C)c2c(C)c(C(=O)N(C)Cc3nc4ccccc4c(=O)[nH]3)sc2n1 12934635 DPZNUEZRTXSXAR-UHFFFAOYSA-N 407.499 3.379 0 40 HGAB COc1cc(C(c2cc(OC)c3c(c2)OCO3)[C@H]2COC(=O)[C@H]2C)cc2c1OCO2 13462883 UYKJDDXZIMXQNB-FZMZJTMJSA-N 414.410 3.102 0 40 HGAB biogenic,in-vitro O=C(Cc1csc(SCC(=O)c2ccc3c(c2)OCO3)n1)Nc1nccs1 13654760 RZZDLVXVWKFHTA-UHFFFAOYSA-N 419.509 3.485 0 40 HGAB COc1cc2c(cc1OC)[C@H](c1ccccc1)N(Cn1nc3ccccn3c1=O)CC2 14187274 PRTAARNMPNUEHS-QHCPKHFHSA-N 416.481 3.118 0 40 HGAB CC(=O)Nc1ccc(OC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)cc1 14628103 DEUKXTMCHWYLHP-UHFFFAOYSA-N 402.472 3.039 0 40 HGAB C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)c1ccc(F)cc1 17916082 SDVKHETWVXZBQD-AWEZNQCLSA-N 408.470 3.243 0 40 HGAB Cc1cc(C)n(Cc2cccc(C(=O)Nc3cc4c(cc3C)n(C)c(=O)n4C)c2)n1 19125898 GGHGELSLRSYQPJ-UHFFFAOYSA-N 403.486 3.299 0 40 HGAB Cc1nc2ccccc2c(=O)n1CC(=O)NC[C@@H](c1ccccc1)N1CCCCC1 19664979 ZTBCNGNIMACOOT-QFIPXVFZSA-N 404.514 3.048 0 40 HGAB COc1cc2c(cc1CN1CCC[C@H](c3ccc4c(C)nn(C)c4n3)C1)OCCO2 19742506 GJCBPPIJSHTOMO-INIZCTEOSA-N 408.502 3.436 0 40 HGAB CS(=O)(=O)N1C[C@H](C(=O)Nc2cccc(Cl)c2)Oc2ccc(Cl)cc21 20106337 HDYGUMQJUVNVCV-OAHLLOKOSA-N 401.271 3.159 0 40 HGAB Cc1cccc(N2CCN(C(=O)CSc3nc(-c4ccccc4)cn3N)CC2)c1 22062171 VOKGIWYEDCOCKX-UHFFFAOYSA-N 407.543 3.013 0 40 HGAB COc1ccc([C@@H](C)NC(=O)CN(c2c(C)cc(C)cc2C)S(C)(=O)=O)cc1 22397421 RQWVSUROFYRQLG-QGZVFWFLSA-N 404.532 3.264 0 40 HGAB O=C(CN1C(=O)[C@H]2CCCN2C(=O)c2ccccc21)c1ccc(Br)cc1 22607225 JQFCDKCXRBHXBC-QGZVFWFLSA-N 413.271 3.283 0 40 HGAB biogenic Cc1cc(C(=O)N(CCN2CCOCC2)c2nc3c(Cl)cccc3s2)on1 23128100 IALPOUBCEHZORI-UHFFFAOYSA-N 406.895 3.225 0 40 HGAB Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)Nc2nc3c(s2)CN(C)CC3)cc1 23608787 PAVMNOABVVSTLZ-UHFFFAOYSA-N 414.560 3.389 0 40 HGAB O=C(NC1=NCCS1)c1ccccc1NS(=O)(=O)c1ccc(Cl)s1 24759944 FBRDTFMGQLFXFT-UHFFFAOYSA-N 401.922 3.035 0 40 HGAB COc1ccc(CN2CCN(C(=O)[C@@H](NC(=O)C3CCCCC3)C(C)C)CC2)cc1 24957810 OZELCQAIHDEVPA-QFIPXVFZSA-N 415.578 3.061 0 40 HGAB Cc1cccc([C@@H](CNC(=O)CCCc2nc3ccccc3[nH]2)N2CCOCC2)c1 31994114 DGLRZAPPXDCPCC-JOCHJYFZSA-N 406.530 3.384 0 40 HGAB COc1ccc([C@H](CC(=O)OC(C)C)NC(=O)c2ccc(-n3cncn3)cc2)cc1 32820925 KCXMGVIUVUSSQH-FQEVSTJZSA-N 408.458 3.089 0 40 HGAB COc1cc([C@H]2CC(O)=Nc3nc(N4CCOCC4)sc32)cc(OC)c1OC 36360086 WFDMGIAXRYISSZ-GFCCVEGCSA-N 405.476 3.129 0 40 HGAB COc1ccc(OC)c([C@@H](C)NC(=O)c2cc(-c3cnn(C)c3)nc3onc(C)c23)c1 36618943 FYCQJTVIDFDQEC-GFCCVEGCSA-N 421.457 3.440 0 40 HGAB O[C@@H](CN1CCC[C@](O)(c2ccc(F)cc2)CC1)c1ccc2c(c1)OCCCO2 36719509 FXGUBIVSHDAYFI-NZQKXSOJSA-N 401.478 3.394 0 40 HGAB CCCCc1ccc(NC(=O)c2ccc(CS(=O)(=O)N3CCOCC3)cc2)cc1 38771322 JCURHYWZOHMXFT-UHFFFAOYSA-N 416.543 3.444 0 40 HGAB CCCc1noc(CN2Cc3ccccc3C[C@@H]2C(=O)NCCc2cccs2)n1 48289638 IQWBVBBEKIDMON-LJQANCHMSA-N 410.543 3.369 0 40 HGAB COC(=O)c1cc(NC(=O)[C@@H](C)N2CCC[C@@H]2c2ccsc2)cc(C(=O)OC)c1 52803881 YAULYIOEAXKKCI-FZKQIMNGSA-N 416.499 3.485 0 40 HGAB CCN1CCN(c2ccc(NC(=O)N3CCN(c4ccccc4O)CC3)cc2C)CC1 57866351 STWOERCBVHBHLV-UHFFFAOYSA-N 423.561 3.197 0 40 HGAB CCOC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)c(Cl)c1 59423895 SWXGVVGKENRYOH-UHFFFAOYSA-N 401.843 3.246 0 40 HGAB CC(=O)Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2Cc2ccc(C(F)(F)F)cc2)cc1 67896792 AVVGYIJOPLTZPU-UYAOXDASSA-N 422.403 3.125 0 40 HGAB biogenic,in-vitro CN(Cc1ccccc1)CC(C)(C)CNCc1cccnc1N1CCC(C(N)=O)CC1 72309906 HALCJLHCZAFPJQ-UHFFFAOYSA-N 423.605 3.031 0 40 HGAB CC(=O)c1ccc(S(=O)(=O)N2C[C@@H]3[C@@H](CCC[C@]3(O)c3cccc(F)c3)C2)cc1 72340431 SFNBNXWELRUCGK-WTOYTKOKSA-N 417.502 3.337 0 40 HGAB CNc1nc([C@H]2CCCN2C(C)=O)nc2c1CN(Cc1ccc(C)cc1OC)CC2 72372385 UZMZZCJPSJTENT-HXUWFJFHSA-N 409.534 3.077 0 40 HGAB COc1cc(NC2=NC(=O)S/C2=C\c2ccc(OCC(N)=O)cc2)cc(OC)c1 72400375 MOCCNQGMGLNXSS-IDUWFGFVSA-N 413.455 3.286 0 40 HGAB Cc1cc(NC(=O)[C@@H](C)c2ccc(CC(C)C)cc2)n([C@H]2CCS(=O)(=O)C2)n1 79494412 CHDOCTACCZVHAP-LPHOPBHVSA-N 403.548 3.492 0 40 HGAB FC(F)(F)c1ccnc(N2CCC(n3cncn3)CC2)c1I 95437090 MLIYTMIDGUFELA-UHFFFAOYSA-N 423.180 3.138 0 40 HGAB O=C(CC[C@@H]1NC(=O)N(Cc2ccccc2)C1=O)Nc1nc2c(s1)CCCCC2 96230985 XKDLSGSFDSTVDP-INIZCTEOSA-N 412.515 3.251 0 40 HGAB O=C(CCC1CCCC1)NCC(=O)N[C@@H](c1cccc(C(F)(F)F)c1)c1nc[nH]n1 97373313 YRLUBQBCDQSZLU-SFHVURJKSA-N 423.439 3.116 0 40 HGAB Cc1ccc(C(=O)COc2ccc(NC(=O)[C@H]3[C@@H]4C[C@H]5OC(=O)[C@H]3[C@H]5C4)cc2)cc1 100646765 OASUXXJVOJAEPK-NUMAFQBZSA-N 405.450 3.393 0 40 HGAB O=C(c1ccccc1Cl)N1CCN(CCNc2cc(=O)oc3ccccc23)CC1 101658089 DIHRSDMJUIOGBC-UHFFFAOYSA-N 411.889 3.316 0 40 HGAB CN(c1cccc(C(=O)NCCOc2ccccc2C(C)(C)C)c1)S(C)(=O)=O 223729259 FXPMCDRGJJHECO-UHFFFAOYSA-N 404.532 3.189 0 40 HGAB Cc1cccc(OCCNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)c1C 223952301 JQDPNMQNDCHCBR-UHFFFAOYSA-N 416.543 3.287 0 40 HGAB CC[C@H](C(=O)NCCOc1cc(C)ccc1C)N(c1ccccc1)S(C)(=O)=O 224017984 FPIPRKAMQZKBDS-LJQANCHMSA-N 404.532 3.043 0 40 HGAB Cc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)NCCCN3CCCC3)c2)cc1 224262660 NLABOWPAGHFHJF-UHFFFAOYSA-N 415.559 3.036 0 40 HGAB COc1cccc(-c2noc(CCC(=O)NCCc3ccc(OC)c(OC)c3)n2)c1 225822745 CIQZCBIJWURWOQ-UHFFFAOYSA-N 411.458 3.054 0 40 HGAB O=C(N[C@@H]1C[C@H]2CC[C@H]1C2)C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1 250092136 WITQZSQDGPOCFB-URLQWDBASA-N 410.967 3.187 0 40 HGAB C[C@H]1CCCCN1CCCNC(=O)[C@H]1C[C@H]2CC[C@H]1C[C@@]21NC(=O)c2ccccc2N1 257241102 HWPYTFDERBNLQJ-YMXVXVAOSA-N 424.589 3.355 0 40 HGAB Cn1cc(CC(=O)N2CC[C@H](c3ccccc3F)S(=O)(=O)CC2)c2ccccc21 390830468 LGUGOWMWIVCGQW-OAQYLSRUSA-N 414.502 3.248 0 40 HGAB COC(=O)c1c(NC(=O)c2ccc(CN3CCOCC3)cc2)sc2c1CCC2 408573319 BBSGXFABNZRDNY-UHFFFAOYSA-N 400.500 3.108 0 40 HGAB CCOc1cc(C=O)ccc1OCC(=O)Nc1ccc(N2CCOCC2)c(Cl)c1 408599806 LBEJTMYIKJQIKU-UHFFFAOYSA-N 418.877 3.405 0 40 HGAB CCCCNC(=O)CN(c1ccc(OC)cc1OC)S(=O)(=O)c1ccc(C)cc1 409117062 QAOGIUMSGADVHS-UHFFFAOYSA-N 420.531 3.124 0 40 HGAB C[C@@]1(c2ccccc2)CN(C(=O)NCc2cccnc2OCC(F)(F)F)CCO1 532353990 KQGGNBXWOMNHQJ-IBGZPJMESA-N 409.408 3.480 0 40 HGAB Cc1nc(N2CCC(NC(=O)c3onc4c3CCCC4)CC2)cc(C(F)(F)F)n1 585149305 IFPIPJTXLQZRSC-UHFFFAOYSA-N 409.412 3.069 0 40 HGAB COc1ccc2c(c1)CC[C@H](NC(=O)C1(S(=O)(=O)c3ccc(Cl)cc3)CC1)C2 680240844 CMCBKTMOTFDRPN-KRWDZBQOSA-N 419.930 3.329 0 40 HGAB O=C(N[C@@H]1CCCN(c2ccccc2Cl)C1=O)[C@@H]1CCO[C@H](c2ccccc2)O1 1634293006 NASQEXKVMMHPIP-LZNRXBQRSA-N 414.889 3.456 0 40 HGAB CCON(CC)C(=O)c1cc(-c2cccnc2)nc2c1cnn2Cc1cccnc1 1649022563 LKDMOEXTDAIWEO-UHFFFAOYSA-N 402.458 3.350 0 40 HGAB COc1ccc(Cc2nnc3c4cnn(Cc5ccccc5)c4ncn23)cc1OC 1417197 YOYYWSPONDKCTR-UHFFFAOYSA-N 400.442 3.130 0 40 HGAB CCOC(=O)c1c(N)n(CCOC(=O)c2ccccc2)c2nc3ccccc3nc12 2303505 YVKHDQDNRFRGHZ-UHFFFAOYSA-N 404.426 3.200 0 40 HGAB CCCCNC(=O)CN1CC[C@]2(O)CCCC[C@H]2[C@@H]1c1cc(OC)ccc1OC 2417378 QUMWUHGCJYLWBL-AJSBUHFISA-N 404.551 3.288 0 40 HGAB COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(OC)c(OC)c2)N1C(C)=O 3136023 RVPFBYKTOAVCLZ-PGRDOPGGSA-N 408.454 3.221 0 40 HGAB biogenic CCOc1ccc(NC(=O)COc2ccc(S(=O)(=O)N(CC)CC)cc2)cc1 3188948 JVPVCSXHRWRPSS-UHFFFAOYSA-N 406.504 3.133 0 40 HGAB O=C(CN1C(=O)N[C@H](CCc2ccccc2)C1=O)Nc1ccccc1C(F)(F)F 3303379 FWJJCWUKTVEGAP-MRXNPFEDSA-N 405.376 3.197 0 40 HGAB CSCC[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)N[C@@H](C)c1ccccc1 3334064 KLNVVBSXKMPMQB-WMLDXEAASA-N 410.536 3.103 0 40 HGAB O=C(CCc1c[nH]c2ccccc12)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 3354541 VHQATROKQYRHQB-SFQUDFHCSA-N 423.538 3.245 0 40 HGAB COc1ccc2[nH]c3c(c2c1)CCN1C(=O)CN(CCc2ccc(F)cc2)C(=O)[C@]31C 4061475 ZKTXDWCKXADCJG-DEOSSOPVSA-N 421.472 3.000 0 40 HGAB biogenic CCCOc1ccc(CN(C(=O)c2ccc(F)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 4186453 VFKUFSKSTRIKNC-LJQANCHMSA-N 405.491 3.444 0 40 HGAB O=C(COc1ccc(Cl)cc1)Oc1coc(CSc2ncccn2)cc1=O 4377308 HZZOCCWSZTVWRH-UHFFFAOYSA-N 404.831 3.360 0 40 HGAB CCOc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccccc3CC)CC2=O)cc1 4559364 PNNWVHYHHUGBMX-KRWDZBQOSA-N 410.470 3.183 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NC23CC4CC(CC(C4)C2)C3)cc1 4575081 FAZDRVJGGYFZAO-MYZSEDEFSA-N 402.560 3.233 0 40 HGAB CS(=O)(=O)c1cccc(-c2nnc(NC(=O)Cc3cccc4ccccc34)o2)c1 4585675 YSUVJEISYRCEEE-UHFFFAOYSA-N 407.451 3.475 0 40 HGAB COCCn1c(SCC(=O)Nc2ccc(N(C)C)cc2)nnc1-c1ccoc1C 4851998 VJHWYESXADBYIJ-UHFFFAOYSA-N 415.519 3.290 0 40 HGAB CCCn1c(SCC(=O)Nc2cc(OC)cc(OC)c2)nnc1-c1ccccn1 4861014 DQZOSJFFCPNJFO-UHFFFAOYSA-N 413.503 3.498 0 40 HGAB CNC(=O)c1ccsc1NC(=O)c1ccccc1NS(=O)(=O)c1ccccc1 5184570 XESCNJNREYPWMB-UHFFFAOYSA-N 415.496 3.161 0 40 HGAB Cc1cc(C(=O)COC(=O)c2ccccc2SCC(=O)NC(C)C)c(C)n1C 5286629 CIFRHKZXXLOQEM-UHFFFAOYSA-N 402.516 3.298 0 40 HGAB O=S(=O)(Nc1cccc(-n2cnnn2)c1)c1ccc(Cl)c(C(F)(F)F)c1 5482707 LBIDJEQQXPRFCB-UHFFFAOYSA-N 403.773 3.135 0 40 HGAB Cc1cccc(C)c1-n1c(=O)c2ccccc2n2c(SCC(=O)NC(C)C)nnc12 6334519 IGCHKLGKOHECJM-UHFFFAOYSA-N 421.526 3.267 0 40 HGAB CCCOc1cccc(C(=O)N(Cc2cccc(OC)c2)[C@H]2CCS(=O)(=O)C2)c1 6810919 UQKVKQMAHHLLLN-IBGZPJMESA-N 417.527 3.314 0 40 HGAB O=C(COc1ccccc1Cl)N(Cc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 6810974 SEXSXKZIXNYWED-MRXNPFEDSA-N 411.882 3.074 0 40 HGAB O=C(CCCn1c(=O)oc2ccccc21)N1CCC(C(=O)N2CCCCCC2)CC1 6987444 YBEWMVWJPHEFQB-UHFFFAOYSA-N 413.518 3.016 0 40 HGAB Cc1ccc2nc(COC(=O)c3ccc(Cl)c(N4CCCC4=O)c3)cc(=O)n2c1 7373974 NUNFHPHPRMSJFG-UHFFFAOYSA-N 411.845 3.140 0 40 HGAB O=C(Cc1ccc(Cl)c(Cl)c1)N(Cc1ccco1)[C@H]1CCS(=O)(=O)C1 7405997 KQVXNJIRBAMZAM-ZDUSSCGKSA-N 402.299 3.345 0 40 HGAB Cc1ccc(N2C(=O)N(CCCCN3C(=O)c4ccccc4C3=O)C(=O)[C@H]2C)cc1 7779781 MCXKLYFMKVRQMJ-MRXNPFEDSA-N 405.454 3.229 0 40 HGAB COc1cccc(CCC(=O)Nc2cccc(S(=O)(=O)NC(C)(C)C)c2)c1OC 7898475 HVPLFZDMIVBRQC-UHFFFAOYSA-N 420.531 3.352 0 40 HGAB O=C(Cn1cnc2ccccc2c1=O)OCC(=O)c1ccc2c(c1)-c1ccccc1C2 7977485 MINLQQKOFWZMOS-UHFFFAOYSA-N 410.429 3.394 0 40 HGAB COc1cc(Br)c(S(=O)(=O)N2CCc3ccccc3C2)cc1OC 8054540 SSOSLAXNYNBQAQ-UHFFFAOYSA-N 412.305 3.213 0 40 HGAB COc1ccc(C)cc1N[C@H](C)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1C 8190114 XCDDCSGYTPSAMY-OAHLLOKOSA-N 405.520 3.001 0 40 HGAB CC(=O)[C@H]1[C@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@H]2[C@H]2c3ccccc3C=NN21 8768040 KYMCRXNRHMJWMS-GSPCLOLRSA-N 409.445 3.307 0 40 HGAB O=C(CCNC(=O)OCc1ccccc1)OCC(=O)c1ccc(Br)cc1 8815577 UBAVMKMDDFZWAD-UHFFFAOYSA-N 420.259 3.492 0 40 HGAB Cc1nnc(NC(=O)[C@H](C)Sc2nnc(COc3ccc(Cl)cc3)n2C)s1 9304115 GIIVBLJSZHBVIC-VIFPVBQESA-N 424.939 3.327 0 40 HGAB Cc1cc(NC(=O)COC(=O)/C=C/c2ccc3c(c2)OCO3)n(-c2ccccc2)n1 9477324 QDHNVNVXQWJEPC-CSKARUKUSA-N 405.410 3.105 0 40 HGAB Cc1ccc(-n2ncc3c(=O)n(NC(=O)COc4ccc(Cl)cc4)cnc32)cc1C 10252092 MNQOLQAGQDTGQU-UHFFFAOYSA-N 423.860 3.002 0 40 HGAB Cc1cc(OCC(=O)N2CC[C@]3(O)CCCC[C@H]3C2)c2c3c(c(=O)oc2c1)CCC3 11866967 KDUJSSHYNJDDIY-UPCLLVRISA-N 411.498 3.123 0 40 HGAB biogenic COC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc(OC)c(OC)c2)cc1 12737239 MTGQLWLWVCIQTB-KRWDZBQOSA-N 405.472 3.016 0 40 HGAB CS(=O)(=O)c1cccc(NC(=O)CCCNC(=O)C23CC4CC(CC(C4)C2)C3)c1 12815541 JNROBZDAECWKIA-UHFFFAOYSA-N 418.559 3.141 0 40 HGAB CNS(=O)(=O)Cc1ccccc1CNC(=O)c1sccc1-c1ccccc1 12890621 WKUDSAJIAZTDRX-UHFFFAOYSA-N 400.525 3.394 0 40 HGAB CCCCc1ccc(N2C[C@@H](C(=O)N3CCN(c4nccs4)CC3)CC2=O)cc1 12980377 ZVEBOIXHNMMGHA-SFHVURJKSA-N 412.559 3.187 0 40 HGAB Cc1ccc(CN2CCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)cc1 13039936 CXLFLEXCJDLHCZ-UHFFFAOYSA-N 414.449 3.400 0 40 HGAB COc1cc(Cl)c(C)cc1NC(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1 13055659 RPACZVNPHJMJQI-UHFFFAOYSA-N 418.849 3.242 0 40 HGAB CCOc1ccc(/C=C/C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)cc1OC 13098990 RXTXEZGNHQWJMU-WEVVVXLNSA-N 408.376 3.279 0 40 HGAB Cc1cc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(C)c(C)c3)cc2)no1 13949653 CRYYYFNVPLIDNN-UHFFFAOYSA-N 421.500 3.201 0 40 HGAB O=C(CSc1nnc(NC[C@@H]2CCCO2)s1)NCCc1ccc(Cl)cc1 14201341 AQOVHONDRCZFLW-AWEZNQCLSA-N 412.968 3.233 0 40 HGAB Nc1nc(S[C@@H]2c3cccc4cccc(c34)[C@@H]2NS(=O)(=O)c2ccccc2)n[nH]1 17778769 SZVJRGZJZCMGMH-ZWKOTPCHSA-N 423.523 3.407 0 40 HGAB COc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccncc4)[C@@H]3C2=O)cc1 17784726 ZWEYECKGSIUVIR-ACRUOGEOSA-N 401.422 3.141 0 40 HGAB Cc1cc(C(=O)N2CCC(c3nc(C)c(-c4ccncn4)s3)CC2)c(=O)[nH]c1C 19566743 ASNODLXQJGREQZ-UHFFFAOYSA-N 409.515 3.233 0 40 HGAB Cc1ccccc1OCCN1C(=O)CCc2c(C)nc(CN(C)C(=O)C(C)C)nc21 19698643 QXZPKYFZWPFUTE-UHFFFAOYSA-N 410.518 3.066 0 40 HGAB CC[C@@H](NC(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O)c1ccc(C)cc1 20110353 GBKJETDWEJBXAC-GOSISDBHSA-N 404.532 3.346 0 40 HGAB C[C@@H](Oc1cccc(Cl)c1)C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 20491430 UKXFDXLJOZQGRW-OAHLLOKOSA-N 402.878 3.180 0 40 HGAB COc1ccccc1N1C(=O)/C(=C/NCCCn2ccnc2)c2ccccc2C1=O 20665190 BFJNNDXCVFYHCF-XDJHFCHBSA-N 402.454 3.100 0 40 HGAB Cc1cccc(C)c1N1C(=O)C[C@@H](N2CCN(C/C=C/c3ccccc3)CC2)C1=O 22037492 AMQCHNLLSPFTRQ-JNKLARPZSA-N 403.526 3.266 0 40 HGAB CSc1nc2ccc(NC(=O)CCn3nc(O)c4ccccc4c3=O)cc2s1 22893921 NFKRDIVAMYPAPW-UHFFFAOYSA-N 412.496 3.463 0 40 HGAB O=c1c(Cl)c(NCC2(N3CCOCC3)CCCCC2)cnn1-c1ccccc1 23653248 CTCNUKSKPSDGEC-UHFFFAOYSA-N 402.926 3.333 0 40 HGAB COc1ccc(NC(=O)c2ccc(CN3CCN(c4ncccn4)CC3)cc2)cc1 23865918 AIYBGYPWWSWYMI-UHFFFAOYSA-N 403.486 3.060 0 40 HGAB O=C(c1ccc(Br)cc1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 24135885 IWCRRNVYZUIHBQ-UHFFFAOYSA-N 401.304 3.342 0 40 HGAB CN(Cc1ccc2c(c1)OCO2)C(=O)c1ccccc1SCC(=O)N1CCCC1 25248990 CJUCCLIRSDMHSF-UHFFFAOYSA-N 412.511 3.402 0 40 HGAB O=S(=O)(c1cccc(CN2CCC[C@H]2c2ccc(F)cc2)c1)N1CCOCC1 25443942 UKOHCIZCERKSDB-NRFANRHFSA-N 404.507 3.184 0 40 HGAB C[C@]12CC[C@@](O)(CN3CC3)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@@H]1CC[C@@]2(O)CN1CC1 28296278 KDZDNXAVYMXPKT-HTVKZPTGSA-N 402.623 3.123 0 40 HGAB COc1cccc([C@H](NC(=O)NCCCc2nc3ccccc3[nH]2)c2nccn2C)c1 29725693 QCEQQUMEMTYDFC-NRFANRHFSA-N 418.501 3.326 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCc3ccccc3Cl)CC2)cc1 30912920 JZNRWJGGSSMIQN-UHFFFAOYSA-N 406.935 3.114 0 40 HGAB CSCC[C@@H](NC(=O)c1ccco1)C(=O)NC[C@@H](c1ccco1)N1CCCCC1 31553105 KRMZBVNPBVAZAI-SJORKVTESA-N 419.547 3.068 0 40 HGAB CCOc1ccc([C@H]2CCCN2C(=O)c2ccc(CN3C(=O)CNC3=O)cc2)cc1 32744919 YKULEDNMKWCKPF-HXUWFJFHSA-N 407.470 3.114 0 40 HGAB CC[C@H](OC(=O)c1nn(-c2ccccc2)c(C)cc1=O)C(=O)Nc1ccc(F)cc1 32850464 NZVCTCJYMCEHRU-IBGZPJMESA-N 409.417 3.254 0 40 HGAB CS(=O)(=O)c1ccc(NC(=O)COc2ccc(NC(=O)c3ccccc3)cc2)cc1 32857561 LHYFQILSDQKDFV-UHFFFAOYSA-N 424.478 3.360 0 40 HGAB Cc1ccc(-c2cc(C(=O)N3CCCCCC3)nn2[C@@H]2CCS(=O)(=O)C2)cc1 33325603 JQFYDXDGGGJKHZ-GOSISDBHSA-N 401.532 3.234 0 40 HGAB Cc1c(NC(=O)c2cc3occc3n2Cc2ccccc2Cl)c(C(N)=O)nn1C 36360422 FQTNSHMNZDGLIB-UHFFFAOYSA-N 411.849 3.329 0 40 HGAB Cc1noc2nc(-c3ccco3)cc(C(=O)N(C)Cc3nnc4n3CCCCC4)c12 36398155 MUYBRBWOESQQTA-UHFFFAOYSA-N 406.446 3.381 0 40 HGAB COc1ccc([C@H](CN(C)C(=O)Cc2cc(C)ccc2OC)N2CCOCC2)cc1 36741366 GHZZEBURUKESME-QFIPXVFZSA-N 412.530 3.087 0 40 HGAB O=C(c1cc(-c2cccs2)n[nH]1)N1CCN(C(=O)[C@H]2C[C@H]2c2ccc(F)cc2)CC1 38729726 FADNLASWJPWJBA-IRXDYDNUSA-N 424.501 3.365 0 40 HGAB Cc1ccc2c(c1)C(=O)N(CCCC(=O)Nc1ccc(NC(=O)NC3CC3)cc1)C2=O 40050291 MAKLOCBLMYUJFE-UHFFFAOYSA-N 420.469 3.294 0 40 HGAB Cc1ccc2c(c1)C(=O)N(CCC(=O)NCc1cccc(OCC(F)(F)F)c1)C2=O 40111913 BTRXBOJHGRZCNQ-UHFFFAOYSA-N 420.387 3.239 0 40 HGAB O=C(Nc1ccccc1CN1CCOCC1)N[C@@H](CN1CCCC1=O)c1ccccc1 48314250 CEYVFKHELZTPAH-QFIPXVFZSA-N 422.529 3.004 0 40 HGAB CCOc1ccccc1NC(=O)Cn1nc2c(Oc3ccc(C)cc3)nccn2c1=O 49008296 YELZBUUOWGSJCY-UHFFFAOYSA-N 419.441 3.029 0 40 HGAB CN(C)S(=O)(=O)c1ccc(C(=O)N(Cc2cccs2)Cc2cccn2C)cc1 49410028 ZSLWGECGIYQHAA-UHFFFAOYSA-N 417.556 3.180 0 40 HGAB COc1ccc(CCNC(=O)c2cc(F)ccc2NC(=O)N2CCCC2)cc1OC 49547584 BNBRJXFYVHGWOG-UHFFFAOYSA-N 415.465 3.443 0 40 HGAB CC(C)[C@@H](c1nnnn1Cc1cccs1)N1CCN(c2ccc(F)cc2)CC1 57671553 SCYSTUUKYYYKMI-IBGZPJMESA-N 400.527 3.441 0 40 HGAB Cc1ccc(N(CC(=O)NCCOc2ccccc2C(C)C)S(C)(=O)=O)cc1 59471970 JKJOGIOVKKIUGT-UHFFFAOYSA-N 404.532 3.080 0 40 HGAB O=C(CN1CCN(c2ccc(Cl)cc2)CC1)NC[C@@H]1CCN(c2ccccc2)C1 69419521 YJAKXHITOVYFDM-IBGZPJMESA-N 412.965 3.105 0 40 HGAB COc1cc(C)ccc1OCC(=O)N1CCN(c2cc(-c3ccccc3)ncn2)CC1 70856619 IKWDCPFXRXMGPP-UHFFFAOYSA-N 418.497 3.188 0 40 HGAB Cc1ncc(CN2CC[C@H](c3c(C(=O)NCCO)sc4ccccc34)C2)s1 72352328 PWMLGUMJECTREG-AWEZNQCLSA-N 401.557 3.378 0 40 HGAB NC(=O)c1cccc(-c2cnc(N)nc2[C@@H]2CCCN2CCOc2ccc(F)cc2)c1 72354862 BVEGNPDYVWTMHG-FQEVSTJZSA-N 421.476 3.180 0 40 HGAB CNC(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CN(C(=O)c2ccncc2)CCO1 72389225 QRVCGELJPVUSOB-QHCPKHFHSA-N 421.522 3.010 0 40 HGAB O=C(CN1CC(c2nc(-c3cccc(C(F)(F)F)c3)no2)C1)Nc1nccs1 77191091 RSSPYXVMEQXIDP-UHFFFAOYSA-N 409.393 3.250 0 40 HGAB Cc1cc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@@H]2C)n2nc(C(F)(F)F)nc2n1 95988734 NYKGSAIQBLRJDW-RYUDHWBXSA-N 414.432 3.286 0 40 HGAB COc1ccc(S(=O)(=O)CCNC(=O)c2cn(C(C)C)c3ccccc23)cc1 96232594 XNSUQEIRDBTPIB-UHFFFAOYSA-N 400.500 3.435 0 40 HGAB Cc1cccc(CC(=O)NC[C@H]2CC[C@H](c3nc(C)ncc3C(=O)N(C)C)CC2)c1 100205668 GPSVULVQWSJRHL-PUZFROQSSA-N 408.546 3.428 0 40 HGAB Cc1cc(N2N=N[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]32)ccc1Br 101260629 ILDGNJMSYRLJCN-LSDHHAIUSA-N 403.211 3.394 0 40 HGAB O=C(NC1CCCC1)c1c(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@@H]3C=C[C@H]2C3)sc2c1CCC2 102635218 FNWMSRZQROUHPP-LZDSYCOUSA-N 414.527 3.371 0 40 HGAB COc1ccc(NC(=O)[C@@H](C)N(c2cc(Cl)ccc2OC)S(C)(=O)=O)cc1 113940481 LKZWYVZPDWERTG-GFCCVEGCSA-N 412.895 3.150 0 40 HGAB CCOc1ccc(CNC(=O)CCCN(c2ccc(C)cc2)S(C)(=O)=O)cc1 113956363 PKKPCBJORLYSII-UHFFFAOYSA-N 404.532 3.256 0 40 HGAB CC(=O)NC12C[C@@H]3C[C@@H](C1)CC(C(=O)OCC(=O)N[C@@H](C)c1ccc(F)cc1)(C3)C2 195530722 WLEAFJWIUTUUNB-GOVXZFTMSA-N 416.493 3.021 0 40 HGAB CC[C@H](NC(=O)CCCN1C(=O)c2ccccc2S1(=O)=O)c1ccc(C)cc1C 219448382 UBWPAUNVXLYWFH-IBGZPJMESA-N 414.527 3.496 0 40 HGAB CCOC(=O)c1ccc(C)c(NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)c1 219696178 DTMZGZLNHXKLRI-UHFFFAOYSA-N 424.906 3.084 0 40 HGAB CNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CCc1ccc2c(c1)OCO2 222531505 KIGKZDLAWKMREJ-AWEZNQCLSA-N 402.878 3.165 0 40 HGAB Cc1cccc(OCCNC(=O)CCCN(c2c(C)cccc2C)S(C)(=O)=O)c1 224652069 DNSKCAXOFMTGNU-UHFFFAOYSA-N 418.559 3.353 0 40 HGAB CS(=O)(=O)Nc1ccc(C(=O)NCc2ccccc2CN2CCCC2)c(Cl)c1 224786856 ILJOHEJHLYLJNN-UHFFFAOYSA-N 421.950 3.237 0 40 HGAB Cc1cccc(CNS(=O)(=O)c2nnc(NC(=O)c3ccc(Cl)cc3)s2)c1 225443543 ZVBCWNVPVHCDTL-UHFFFAOYSA-N 422.919 3.231 0 40 HGAB COc1cc(/C=C/C(=O)O)cc(I)c1OCc1cccnc1 226337612 ZGZJCXCQIUWJGM-SNAWJCMRSA-N 411.195 3.372 0 40 HGAB O=C(COc1nn(-c2ccccc2)cc1Br)NCc1ccc(F)cc1 227167421 FDYUZVHSNMEKAG-UHFFFAOYSA-N 404.239 3.469 0 40 HGAB Cc1ccc(C(=O)N2CCN3[C@H](CN(C(=O)NCc4ccccc4)CC3(C)C)C2)cc1 253399381 IZGYKQDHPCFOLP-QFIPXVFZSA-N 420.557 3.125 0 40 HGAB biogenic,in-vitro Cc1noc(C)c1COc1ccc(CN2C[C@H](O)[C@@H](N3CCC(F)(F)CC3)C2)cc1 257269318 MPLPNSQZVZNPND-SFTDATJTSA-N 421.488 3.147 0 40 HGAB C[C@]1(C2CCN(Cc3cccc(C(=O)O)c3)CC2)CN(c2ccccc2)C(=O)CO1 257297287 RGQVRJWWXWEQTA-XMMPIXPASA-N 408.498 3.419 0 40 HGAB CNc1cc([C@H]2CCCN(C(=O)[C@H]3CC[C@H](OC)CC3)C2)nc(-c2cccnc2)n1 257332014 XVJCQLNKJUOSCW-WDSOQIARSA-N 409.534 3.492 0 40 HGAB O=C(C1CCOCC1)N1CC[C@H](c2ccnc(Nc3cc(C(F)(F)F)ccn3)n2)C1 257334966 YIAUMFUOQLBPQL-AWEZNQCLSA-N 421.423 3.377 0 40 HGAB O=C(NCCn1nc([C@@H]2CCCN(C(=O)[C@H]3CC=CCC3)C2)c2cccnc21)C1CC1 257342178 ZNLJWEYIGMCSTC-RBUKOAKNSA-N 421.545 3.020 0 40 HGAB CN1CCN(C(=O)c2ccco2)C[C@@H]1c1nnn2cc(-c3cccc(F)c3)ccc12 306131489 KGGNRBGPNXAZNF-LJQANCHMSA-N 405.433 3.257 0 40 HGAB O=S(=O)(Cc1ccc(C(F)(F)F)cc1)Nc1cnn(C[C@H]2CCCCO2)c1 390828734 TWHGSHQJBWNRQD-MRXNPFEDSA-N 403.426 3.413 0 40 HGAB Cc1ccccc1NC(=O)CN1C(=O)N/C(=C\c2cccn2-c2ccc(O)cc2)C1=O 409022489 QFWASVDJHIEELT-MOSHPQCFSA-N 416.437 3.023 0 40 HGAB Cc1cc(C)cc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)c1 409147433 WPRUWJPCJUDFEV-HNNXBMFYSA-N 400.862 3.492 0 40 HGAB COc1ccc(NC(=O)[C@H](C)N(c2ccc(C)c(C)c2)S(C)(=O)=O)c(OC)c1 409381272 LGIGTWLHEBFXCF-HNNXBMFYSA-N 406.504 3.114 0 40 HGAB O=C1[C@H]2[C@H]3C[C@H]4[C@@H]2[C@]2(C(=O)Nc5cccc(C(=O)N6CCc7ccccc76)c5)[C@H]1[C@@H]3[C@@H]42 503490038 UZGKUMSDLASOMZ-LJTKOVTFSA-N 410.473 3.155 0 40 HGAB C[C@H](c1ccccc1)N1C[C@@H](C(=O)N2CC[C@@H](n3ncc4ccccc43)C2)CC1=O 510912537 MKDVGBOXMUOHRT-JRGCBEDISA-N 402.498 3.419 0 40 HGAB CC(C)Cn1nc(C(=O)N2CCO[C@]3(CCc4ccccc43)C2)c2ccccc2c1=O 511052104 ACTOSNJFFSHDKX-RUZDIDTESA-N 417.509 3.367 0 40 HGAB O=S(=O)(NCc1nnc2n1C[C@H](C(F)(F)F)CC2)c1cccc2ccccc12 575616497 LKWFLRDXDXJRGR-CYBMUJFWSA-N 410.421 3.035 0 40 HGAB Cc1ccc(NC(=O)C(=O)NCC(c2ccco2)c2ccco2)cc1N1CCCC1=O 675007621 AUWRWXVLXXARLB-UHFFFAOYSA-N 421.453 3.195 0 40 HGAB O=C(NC[C@H](c1ccsc1)c1ccco1)C(=O)Nc1cccc(N2CCCC2=O)c1 675007791 PVXNITCWDCMDGG-GOSISDBHSA-N 423.494 3.355 0 40 HGAB CNC(=O)[C@H](Cc1ccccc1)NC(=O)N[C@H](C)Cc1ccc(C(F)(F)F)cc1 1677075720 CVUDWJAPUOTFNP-KDOFPFPSSA-N 407.436 3.293 0 40 HGAB COc1ccccc1NC(=O)N1CCC2(CC1)CC(=O)N(CC1CC1)c1cc(C)nn12 1772596598 XNRBUORTVQGQIE-UHFFFAOYSA-N 423.517 3.370 0 40 HGAB Cc1nc2ccccn2c1C(=O)N1CCC2(CC1)CC(=O)N(Cc1cccc(F)c1)C2 2055794295 AWJGFBCZCWTZNS-UHFFFAOYSA-N 420.488 3.437 0 40 HGAB COCc1ccc(C(=O)N2CCC3(CC2)CC(=O)N(Cc2csc(C)n2)C3)cc1 2055796105 WJYSMYOPJNFGAT-UHFFFAOYSA-N 413.543 3.253 0 40 HGAB CC(C)c1ccc(CN2CCC3(CC2)CC(NC(=O)[C@@H]2CCCS2(=O)=O)C3)cc1 2056225828 COQLMHXTJMAMGM-NRFANRHFSA-N 418.603 3.248 0 40 HGAB CCOC(=O)c1sc(NC(=O)c2ccccc2C(=O)O)c(C(=O)OCC)c1C 2216826 GMQIBMQWNBVSBS-UHFFFAOYSA-N 405.428 3.360 0 40 HGAB CC(C)CNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc3C2)c1 2616521 HSSOVCBBTNAXGM-UHFFFAOYSA-N 406.935 3.473 0 40 HGAB Cc1ccc(-c2csc(NC(=O)Cn3[nH]c(=O)c4ccccc4c3=O)n2)cc1C 2632009 QVAYGNNBCDZRJR-UHFFFAOYSA-N 406.467 3.069 0 40 HGAB O=C(CSc1nc2c(c(=O)n1-c1ccccc1)SCC2)NC1CCCCC1 2719683 RDKVULRLVSESCT-UHFFFAOYSA-N 401.557 3.422 0 40 HGAB Cc1noc(C)c1COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 3246695 KXMYCABAIGHZKU-UHFFFAOYSA-N 412.895 3.476 0 40 HGAB NC(=O)c1c(NC(=O)CCC(=O)OCc2cccc(Cl)c2)sc2c1CCC2 3247843 ROPBGXIOSNIKIK-UHFFFAOYSA-N 406.891 3.451 0 40 HGAB CC(=O)[C@H](Sc1nc(NC(C)C)nc(NC(C)C)n1)C(=O)Nc1ccccc1 4547184 XLKHWJYXQZIXEL-HNNXBMFYSA-N 402.524 3.201 0 40 HGAB COC[C@@H](C)NC(=O)CSc1nnc(COc2ccccc2Cl)n1C1CC1 4791089 ZOQOMRACJBCATA-GFCCVEGCSA-N 410.927 3.089 0 40 HGAB Cc1cccc(N(CC(=O)NCCC(C)C)C(=O)CCC(=O)Nc2nccs2)c1 4848398 BMCWTNQCICQNPQ-UHFFFAOYSA-N 416.547 3.366 0 40 HGAB Cc1ccccc1Cn1c(=O)c2c(nc3n(C4CCCC4)c(C)c(C)n23)n(C)c1=O 4945214 ASSXNQBZKIOWEC-UHFFFAOYSA-N 405.502 3.238 0 40 HGAB Cc1sc2ncn(CC(=O)NC(=O)NC3CCCC3)c(=O)c2c1-c1ccccc1 5017394 CYGJKJIIKSIJEK-UHFFFAOYSA-N 410.499 3.202 0 40 HGAB C[C@H]1CCCCN1C(=O)COC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 5018295 DYTHVSNJOQHYGC-KRWDZBQOSA-N 404.470 3.492 0 40 HGAB CSCC[C@H](NC(=O)COc1ccccc1)C(=O)OCCOc1ccc(C)cc1 5229622 OPZJTMXEMBFNIC-FQEVSTJZSA-N 417.527 3.234 0 40 HGAB CCN(CC)C(=O)CN(c1ccc(OC)cc1OC)S(=O)(=O)c1ccc(C)cc1 6274468 HEPVRUKCBWHWOP-UHFFFAOYSA-N 420.531 3.076 0 40 HGAB CSCC[C@H](NC(=O)c1cccc(C)c1)C(=O)NCc1ccccc1CN(C)C 6882023 CIBUWTWXHXCEIA-NRFANRHFSA-N 413.587 3.225 0 40 HGAB COc1ccc(C)cc1-n1nnnc1S[C@H](C(=O)N1CCCC1)c1ccccc1 6992621 KTNYXVUOQIADMS-IBGZPJMESA-N 409.515 3.435 0 40 HGAB CC(=O)N(C)Cc1ccc(C(=O)CSc2nnc(Cc3cccs3)n2C)cc1 7736975 QVNMPTMYQOIUTR-UHFFFAOYSA-N 414.556 3.421 0 40 HGAB COC(=O)c1ccccc1-c1ccc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)o1 8477411 RBBZIQZPNGXSPS-SFQUDFHCSA-N 408.410 3.138 0 40 HGAB Cc1nn(-c2cccc(Br)c2)c(C)c1[C@@H]1C=C[C@@H](NS(C)(=O)=O)C1 8643277 LGQOGWXMGLIAPW-UKRRQHHQSA-N 410.337 3.213 0 40 HGAB biogenic,in-vitro COc1ccccc1NC(=O)[C@@H]1CC(=O)Nc2nc(SCc3ccccc3)nn21 8914148 VGVPQOGCSGRSOI-HNNXBMFYSA-N 409.471 3.101 0 40 HGAB O=C(/C=C/c1ccccc1Cl)Nc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 9698587 YIAHRXZWWIIHHF-CRVDFBCUSA-N 420.918 3.449 0 40 HGAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CN[C@H](c1ccc(F)cc1)C(C)C 9836242 WSXDPRDISNYBCL-NRFANRHFSA-N 421.538 3.310 0 40 HGAB CCc1[nH]c(C(=O)NCc2ccc(NC(=O)c3ccco3)cc2)c(C)c1C(=O)OC 11146693 CLURYRFKKXBXPU-UHFFFAOYSA-N 409.442 3.447 0 40 HGAB O=C1N[C@@]2(CCOc3ccccc32)C(=O)N1Cc1cc(=O)oc2cc3c(cc12)CCC3 11591337 FZJNFZZTRWADOK-XMMPIXPASA-N 416.433 3.012 0 40 HGAB CCCN1CCCc2cc(CCNC(=O)C(=O)Nc3cc(F)ccc3F)ccc21 11613008 VXYXXRWYPVRGRJ-UHFFFAOYSA-N 401.457 3.425 0 40 HGAB COc1ccc2c(c1)CN(C(C)=O)C[C@H]([C@@H]1CCCN(Cc3ncccc3C)C1)O2 12135356 MPNYCVGVKOFFCV-NTKDMRAZSA-N 409.530 3.420 0 40 HGAB Cn1nc(CCC(=O)NC2(c3ccc4c(c3)OCO4)CCCC2)c2ccccc2c1=O 12155618 YAAVJBJSPRIDIV-UHFFFAOYSA-N 419.481 3.181 0 40 HGAB O=C([C@@H]1CC=CCC1)N1CCN(S(=O)(=O)c2cc(Cl)cnc2C2CCC2)CC1 12235471 DIRAIZNWVVPJNM-MRXNPFEDSA-N 423.966 3.192 0 40 HGAB CN(CC(=O)Nc1ccc(OC(F)(F)F)cc1)CC(=O)Nc1ccc(Cl)cn1 12775091 FQWHTGZUHAAFQC-UHFFFAOYSA-N 416.787 3.143 0 40 HGAB COC(=O)c1cc(NC(=O)COCc2nc3ccccc3s2)cc(C(=O)OC)c1 12854117 DVMXAKVQXOWTSV-UHFFFAOYSA-N 414.439 3.025 0 40 HGAB C[C@]12CCC(=O)N1[C@H](C(=O)Nc1nnc(SCc3ccccc3F)s1)CS2 12922894 SYDZQFBYAXVHLX-SJCJKPOMSA-N 424.548 3.362 0 40 HGAB COCc1nn2c3c(nnc2c1-c1ccccc1OC)C(=O)C[C@H](c1ccco1)C3 13639408 QVMGSZAFAWKYOY-CYBMUJFWSA-N 404.426 3.452 0 40 HGAB O=C(CNC(=O)c1cccc(Br)c1)Nc1ccc(CN2CCCC2)cc1 14121408 LIALOZDFNIVREF-UHFFFAOYSA-N 416.319 3.413 0 40 HGAB Cc1ccc2nc(NC(=O)CSc3n[nH]c(=O)n3Cc3ccccc3)sc2c1 14199534 OWQCYYCFBRFAGJ-UHFFFAOYSA-N 411.512 3.269 0 40 HGAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1csc2c1CC[C@H](C)C2 14697150 YBRCNDBNKZNGAD-LBPRGKRZSA-N 408.545 3.384 0 40 HGAB CCOC(=O)c1ccc(NC(=O)N2Cc3nc[nH]c3C[C@H]2c2nc(C(C)C)no2)cc1 15707201 RFEUPSLTYHVPBP-KRWDZBQOSA-N 424.461 3.424 0 40 HGAB biogenic,in-vitro C[C@H](NC(=O)Cn1nc(-c2ccc(F)cc2)oc1=O)c1ccc(Br)cc1 16278223 JKLNRPJNBLVMGT-NSHDSACASA-N 420.238 3.282 0 40 HGAB COc1cc(NC(=S)NC(=O)COc2ccccc2C)ccc1NC(=O)C(C)C 17090338 YKJYDJGSXQJSKY-UHFFFAOYSA-N 415.515 3.490 0 40 HGAB Cn1cc(C(=O)Nc2ccc(F)cc2)c2[nH]c(=O)n(-c3ccc(Cl)cc3)c(=O)c21 17149044 BMOLMWJGRDFBLJ-UHFFFAOYSA-N 412.808 3.062 0 40 HGAB O=C(CN1C(=O)c2ccccc2C1=O)Nc1nnc(-c2cc(Cl)ccc2Cl)o1 17200473 HQAUEDPJLTUUNX-UHFFFAOYSA-N 417.208 3.278 0 40 HGAB C/C=C\C(/C=C\C)(C(=O)OCCN(C)C)C(/C=C\C)(/C=C/C)C(=O)OCCN(C)C 17302535 SJIGIIJSBLTQJU-SHANHLBKSA-N 420.594 3.473 0 40 HGAB Cc1cccnc1CN(Cc1ccccc1)C(=O)C[C@@H]1C(=O)NCCN1C1CCCC1 19237765 NNJJNHRGDFZQEF-HSZRJFAPSA-N 420.557 3.052 0 40 HGAB COc1ccc([C@@H]2CN(Cc3cccc(OC)c3)C[C@H]2c2cc(=O)[nH]c(C)n2)cc1 19285509 ZQESRBUZOHAPIG-FCHUYYIVSA-N 405.498 3.479 0 40 HGAB CCOc1ccc([C@H]2CCCN2S(=O)(=O)c2ccc3c(c2)CC(=O)N3C)cc1 19715513 DBHYMJFJYKJVDJ-HXUWFJFHSA-N 400.500 3.130 0 40 HGAB O=C(NC1CCN(Cc2ccccn2)CC1)c1cnn2c(-c3ccccc3)ccnc12 19716838 JWGYLWVHAJODEM-UHFFFAOYSA-N 412.497 3.186 0 40 HGAB CC1CCN(c2ncc(-c3cncn3[C@@H](CO)Cc3ccc(N(C)C)cc3)cn2)CC1 19719988 STMINIBURDFFAU-JOCHJYFZSA-N 420.561 3.419 0 40 HGAB Cc1cc2ncc(CN(C)C)c([C@@H]3CCCN3C(=O)Cc3c[nH]c4ccccc34)n2n1 19743550 DYVTZAUXPHMFDX-NRFANRHFSA-N 416.529 3.487 0 40 HGAB COc1ccc(CCC(=O)N2CCCC[C@@H]2c2nc(C)ncc2C(=O)NC2CC2)cc1 19767045 CIQUFZDKPZVHDK-OAQYLSRUSA-N 422.529 3.372 0 40 HGAB O=C(CCc1ccc(S(=O)(=O)NC2CC2)cc1)Nc1ccccc1Br 19930543 JBQOMHUUAXTOBS-UHFFFAOYSA-N 423.332 3.461 0 40 HGAB COc1ccc(NC(=O)c2ccc(CS(=O)(=O)N3CCCCC3)cc2)cc1OC 20450225 HAJAFPDHUZAWCB-UHFFFAOYSA-N 418.515 3.272 0 40 HGAB COc1ccc(N([C@H](C)C(=O)N[C@@H](C)c2ccc(C)cc2C)S(C)(=O)=O)cc1 20483262 AURDZEPFQXJYTQ-DLBZAZTESA-N 404.532 3.344 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCc4sccc4C3)C2)s1 21131817 UCSAZYTZXWVHJF-HNNXBMFYSA-N 410.586 3.104 0 40 HGAB CCOc1ccc(CCCNC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)cc1 22330960 PSMCGVZNVYEZFI-UHFFFAOYSA-N 424.950 3.254 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)Nc1cc(C)ccn1 23078404 PSOSTNDASHUUCR-UHFFFAOYSA-N 403.504 3.216 0 40 HGAB COc1cccc(C(=O)N2CCN(c3nc4cc(C)nn4c4ccccc34)CC2)c1 26704594 JKUIUJRTAICDPC-UHFFFAOYSA-N 401.470 3.162 0 40 HGAB COc1cc(OC)cc([C@@H](NC(=O)c2cc(-c3ccco3)on2)c2nccn2C)c1 26742447 MYDMFZCYOUXGNS-LJQANCHMSA-N 408.414 3.205 0 40 HGAB Cc1cccc(C)c1OCC(=O)Nc1nnc(S(=O)(=O)Cc2ccccc2)s1 27664691 OJJHRAHTMCULNA-UHFFFAOYSA-N 417.512 3.146 0 40 HGAB CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)NC[C@@H](c1cccs1)N(C)C 27676192 ZCDKMYSGXMHQPD-YJBOKZPZSA-N 409.502 3.200 0 40 HGAB CC(C)(CCN1CCN(C(=O)[C@@H]2CS[C@@H](c3cccnc3)N2)CC1)c1ccccc1 31418063 HEXKEOJEDCYAPX-VXKWHMMOSA-N 424.614 3.297 0 40 HGAB CCN1CCN(c2ccc(NC(=O)CNC(=O)Nc3cccc(C)c3)c(C)c2)CC1 31522605 YUDBXGLVXRPIRI-UHFFFAOYSA-N 409.534 3.206 0 40 HGAB COC(=O)c1ccc(CN2C(=O)S/C(=C/c3ccc(OC)cc3OC)C2=O)o1 33655145 QRZJLGCCZHJFGV-LZYBPNLTSA-N 403.412 3.320 0 40 HGAB COc1cccc(N2CCN(C(=O)CCc3nc(-c4ccccc4C)no3)CC2)c1 44842103 RQMUGMRKGZKJAC-UHFFFAOYSA-N 406.486 3.335 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C)c3ccc(C)cc3)CC2)cc1 45174100 LNJKJJRFVVCYAE-QGZVFWFLSA-N 416.543 3.282 0 40 HGAB CC[C@@]1(C)NC(=O)N(CC(=O)N[C@@H](Cc2ccc(Cl)cc2)c2ccccc2)C1=O 48332370 JTMNSNAYUHHWKR-PGRDOPGGSA-N 413.905 3.461 0 40 HGAB COc1ccc(OC)c(CNC(=O)Nc2cccc(S(=O)(=O)NC(C)(C)C)c2)c1 48365938 DSYWSSAWCYZPET-UHFFFAOYSA-N 421.519 3.102 0 40 HGAB COc1ccc2[nH]c3c(c(=O)c2c1)CN(CC(=O)Nc1ccc(C)c(Cl)c1)CC3 48987767 PBNQBIZQUIOGJH-UHFFFAOYSA-N 411.889 3.495 0 40 HGAB Cc1ccc(NC(=O)CSc2nc3[nH]ncc3c(=O)n2-c2ccccc2)c(C)c1 51316676 YBEXAAONPBDLNG-UHFFFAOYSA-N 405.483 3.456 0 40 HGAB COc1ccc2c(C)c(CC(=O)Nc3nnc(C4CCC4)s3)c(=O)oc2c1OC 61718649 LMZUDYYWRRMPHE-UHFFFAOYSA-N 415.471 3.419 0 40 HGAB Cc1nc2cc3c(cc2n1CC(=O)N[C@H](C)c1ccc2c(c1)OCCCO2)OCCO3 64794917 CNTNPXRTZHTZAG-CQSZACIVSA-N 423.469 3.155 0 40 HGAB Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)NCC(C)C)Oc3ccc(Cl)cc32)cc1 64986096 WSQRBNXAVUYVPZ-LJQANCHMSA-N 422.934 3.377 0 40 HGAB CCOc1ccc(NS(=O)(=O)c2n[nH]cc2C(=O)Nc2cc(F)cc(F)c2)cc1 67245496 YKPLTIXLNHMXBH-UHFFFAOYSA-N 422.413 3.140 0 40 HGAB CC(=O)Nc1ccc(CN2CCC[C@H](c3cc(=O)[nH]c(-c4ccccn4)n3)C2)cc1 72393218 GGTUJZOISMIHCK-SFHVURJKSA-N 403.486 3.170 0 40 HGAB Cc1nn(C)c(C)c1S(=O)(=O)Nc1ccc2c(c1)N(C(=O)c1cccs1)CC2 96025673 UOZVVKQWKGOUCD-UHFFFAOYSA-N 416.528 3.102 0 40 HGAB CN1CCN(C(=O)C[C@H]2CC3(CCN(C(=O)c4ccco4)CC3)c3ccccc32)CC1 96242228 JFZPJVFLWZDVTO-IBGZPJMESA-N 421.541 3.105 0 40 HGAB CN(C)CCN/C=C1/C(=O)N(c2cccc(C(F)(F)F)c2)C(=O)c2ccccc21 103004767 FJIHEJGTUMRLHA-QGOAFFKASA-N 403.404 3.385 0 40 HGAB CNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CSCc1ccc(C)cc1 222826807 WBCJEEIVVANPOT-QGZVFWFLSA-N 400.544 3.400 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)NCCOc1cccc(C)c1C 223929381 BAIWUJLZBCTIMK-UHFFFAOYSA-N 416.543 3.205 0 40 HGAB Cc1nccn1-c1ccc(CNC(=O)c2cccc(N3CCCCS3(=O)=O)c2)cc1 224389043 LAPAKCPYYXPWFC-UHFFFAOYSA-N 424.526 3.041 0 40 HGAB CCOc1ccc(C(=O)NC2CC2)cc1CN(C)S(=O)(=O)c1ccc(C)cc1 224820432 JXHUNWLRXWXRFW-UHFFFAOYSA-N 402.516 3.107 0 40 HGAB CCOC(=O)C1CCN(C(=O)CCc2ncc(-c3ccc(OCC)cc3)o2)CC1 224860585 DCBDPBQTHLYUNB-UHFFFAOYSA-N 400.475 3.475 0 40 HGAB Cc1nc2ccccn2c1C(=O)NC1CCN(c2cc(-c3cccs3)[nH]n2)CC1 225755915 RUQQEVIOLVEJML-UHFFFAOYSA-N 406.515 3.493 0 40 HGAB CCOC(=O)c1cc(C(=O)C(C)(C)C)nn(-c2ccc(Br)cc2)c1=O 225969090 PDIWVLYBTBPTGZ-UHFFFAOYSA-N 407.264 3.401 0 40 HGAB O=C(CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)Nc1nc(-c2ccccc2F)cs1 247799005 TXUMZDMMGQAFBT-YDOWWZDFSA-N 413.474 3.309 0 40 HGAB Cc1nn(Cc2ccccc2)c(C)c1NC(=O)CN1CCC[C@@]2(C)NCCCC[C@H]12 257217586 CZPAHFUJAVDKNL-XUZZJYLKSA-N 409.578 3.483 0 40 HGAB Cc1cc(C(=O)NCC[C@H]2OCC[C@@]34C[C@@H](C[C@H]23)C(C)(C)[C@@H]4NC(=O)C(C)C)on1 257267896 MJHSYCJMRCXVOE-UUXHKQJFSA-N 417.550 3.085 0 40 HGAB Cc1cc(Nc2nccs2)cc([C@H]2CCN(S(=O)(=O)c3c(C)noc3C)C2)n1 257286518 PLWWGHOGLBKBTJ-AWEZNQCLSA-N 419.532 3.373 0 40 HGAB COc1ccc(NC(=O)CN2CC[C@H](c3ccc4c(NC(C)C)n[nH]c4n3)C2)cc1 257344930 ZZHFKSKXDPCCDW-HNNXBMFYSA-N 408.506 3.215 0 40 HGAB CC1CCN(C(=O)COc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)CC1 408534009 SAMMGHPBRGKINL-UHFFFAOYSA-N 406.479 3.264 0 40 HGAB COc1cccc(NC(=O)CN(Cc2ccc(Cl)c(Cl)c2)S(C)(=O)=O)c1 408623489 RISXLNPBOSSYDE-UHFFFAOYSA-N 417.314 3.402 0 40 HGAB CC[C@H](OC(=O)[C@@H]1CC(=O)N(c2ccc(OC)cc2OC)C1)C(=O)c1ccccc1 408654520 QSVVHKQSUCATEL-APWZRJJASA-N 411.454 3.261 0 40 HGAB CC[C@H](C)OC(=O)CN1C(=O)S/C(=C/c2cc(OC)c(OC)cc2OC)C1=O 409199896 FLFBHBBLJWTXJS-AXLKIAQESA-N 409.460 3.090 0 40 HGAB COc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCC[C@@H]3C)C2=O)cc(Cl)c1O 409212786 QNBVTUILHXFYSW-GPILYODUSA-N 424.906 3.492 0 40 HGAB CO[C@@H]1CCN(C2CCN(C(=O)c3cc(Br)ccc3Cl)CC2)C1 1565519381 PLOPSTXAUSEELI-CQSZACIVSA-N 401.732 3.428 0 40 HGAB CCCCOc1ccc(NC(=O)[C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@@H]23)cc1 2665367 BCTINLARZZWKRE-ZMIKWESLSA-N 421.490 3.201 0 40 HGAB biogenic Cc1ccc(CNC(=O)c2nnn(Cc3ccc(Br)cc3F)c2N)cc1 2689551 XGRUMNFVMVFLEM-UHFFFAOYSA-N 418.270 3.049 0 40 HGAB COc1ccc(OC)c(NC(=O)COC(=O)/C=C/c2ccc(Br)o2)c1 3276200 LTEXABWDUKXNPJ-VMPITWQZSA-N 410.220 3.254 0 40 HGAB COc1cc(CN2C(=O)N(C(C)C)[C@@H](N(O)C(=O)NC(C)C)C2(C)C)cc(OC)c1 3985294 OWIQHGURPOGCAH-SFHVURJKSA-N 422.526 3.264 0 40 HGAB biogenic CCC(C)(C)NC(=O)CN(C(=O)CCC(=O)Nc1nccs1)C1CCCCC1 4848372 HUJAHODXOCHPEI-UHFFFAOYSA-N 408.568 3.328 0 40 HGAB COc1ccc(-c2n[nH]cc2/C=c2\sc3nc4c(C)cc(C)cc4n3c2=O)cc1 4908469 CNDCTXFIOAUHFH-ZDLGFXPLSA-N 402.479 3.472 0 40 HGAB COC(=O)c1ccccc1NC(=O)[C@H](C)Sc1nc(-c2ccccc2)cc(=O)[nH]1 4999483 NEFGTBISDNWISP-ZDUSSCGKSA-N 409.467 3.343 0 40 HGAB COCCCNC(=O)c1ccccc1NC(=O)CN1C(=O)c2cccc3cccc1c23 5060687 JCJPMFWSHWPIOH-UHFFFAOYSA-N 417.465 3.205 0 40 HGAB CCc1nnc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)s1 6654034 HDXHZWASQUNJJT-UHFFFAOYSA-N 422.576 3.263 0 40 HGAB Cc1cccc(N(C)S(=O)(=O)c2nnc(NC(=O)CCc3ccccc3)s2)c1 6818336 QWEZSGRHASXBHK-UHFFFAOYSA-N 416.528 3.243 0 40 HGAB COc1cccc(NC(=O)CN(C)[C@H](C)C(=O)Nc2ccc(Br)cc2)c1 6847535 XASZXFMMHKFUFT-CYBMUJFWSA-N 420.307 3.355 0 40 HGAB COc1cccc(-n2ccnc2SCC(=O)NC[C@H](c2ccccc2)N(C)C)c1 8342482 QMBZJYRRLKULIK-HXUWFJFHSA-N 410.543 3.392 0 40 HGAB COC(=O)C1=C(CSc2nc3ccccc3[nH]2)NC(=O)N[C@@H]1c1ccc(OC)cc1 8994156 YSNOCLFYBFPYNG-GOSISDBHSA-N 424.482 3.145 0 40 HGAB Cc1ccc(N2C[C@H](CNS(=O)(=O)c3ccccc3C(F)(F)F)CC2=O)cc1 9037087 ALUBNPYZBLPGFD-AWEZNQCLSA-N 412.433 3.345 0 40 HGAB CCCNS(=O)(=O)c1cc(C(=O)Nc2ccc(OC)c(Cl)c2)ccc1OC 9063896 XNQIYILNWHWDAP-UHFFFAOYSA-N 412.895 3.298 0 40 HGAB CCC(=O)N1N=C(c2ccccc2NS(C)(=O)=O)C[C@H]1c1ccccc1OC 9260430 XZKJPKPWHIRNAJ-SFHVURJKSA-N 401.488 3.154 0 40 HGAB O=c1c2ccccc2nnn1CSc1nnc(-c2cccc(Br)c2)o1 9614229 STRGXBCMNDUPON-UHFFFAOYSA-N 416.260 3.354 0 40 HGAB CCc1ccc([C@@H]2c3c(-c4cccc(OC)c4)nnc(O)c3Nc3nnnn32)cc1 10296895 GAYOEJFFPSPHMC-LJQANCHMSA-N 401.430 3.101 0 40 HGAB COc1ccc(F)cc1S(=O)(=O)N1CCC(C(=O)NC2CCCCCC2)CC1 10302785 SEPUOXBFFAMRND-UHFFFAOYSA-N 412.527 3.074 0 40 HGAB CN(Cc1ccc(Cl)cc1Cl)C(=O)c1ccccc1CN1C(=O)CNC1=O 10642920 DBHGZTWAVWVMNM-UHFFFAOYSA-N 406.269 3.317 0 40 HGAB CC(C)(C)OC(=O)NCc1ccc(C(=O)OCCN2C(=O)c3ccccc3C2=O)cc1 10689771 ZMTFSPJLRVBOGK-UHFFFAOYSA-N 424.453 3.164 0 40 HGAB CN(C(=O)c1cccs1)c1ccccc1C(=O)OCc1cc(=O)n2ccccc2n1 11491534 RYZILEYKRPBTSB-UHFFFAOYSA-N 419.462 3.390 0 40 HGAB CCc1ccc(N2C[C@@H](C(=O)Nc3ccc(N4CCCC4=O)c(OC)c3)CC2=O)cc1 11753093 MSLNMSJUYVBVNT-KRWDZBQOSA-N 421.497 3.376 0 40 HGAB COc1ccc(CCNC(=O)CSc2ccc(-c3ccc4c(c3)OCO4)nn2)cc1 12140500 QWUSEWUWLMAGMZ-UHFFFAOYSA-N 423.494 3.332 0 40 HGAB Cc1ccc(-c2c(-c3cc(C)no3)cnn2CCNC(=O)c2cccnc2C)cn1 12223191 POZPKLFEVBMVSY-UHFFFAOYSA-N 402.458 3.350 0 40 HGAB CCN(CC)C(=O)c1cnc(C)nc1-c1ccc(CNC(=O)c2ccncc2)cc1 12232249 WGZHPPUQHQYWHI-UHFFFAOYSA-N 403.486 3.259 0 40 HGAB COc1ccc(NC(=O)CNC(=O)c2cc3c(OC)c(OC)ccc3[nH]2)cc1Cl 12391236 VBUJXAGSZUNXQJ-UHFFFAOYSA-N 417.849 3.216 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(C(=O)NCc2cc(-c3cccs3)on2)cc1 12725369 VYBUTJPQOQXARK-UHFFFAOYSA-N 419.528 3.364 0 40 HGAB Cc1sc2ncn(CCC(=O)NC3CCN(Cc4ccccc4)CC3)c(=O)c2c1C 12874551 QUYMWBJHDGQVGC-UHFFFAOYSA-N 424.570 3.246 0 40 HGAB CC(=O)N1c2ccc(S(=O)(=O)N[C@H]3CCSc4ccccc43)cc2C[C@@H]1C 12969890 PWDGKTWEYSQSPA-UGSOOPFHSA-N 402.541 3.500 0 40 HGAB Cc1ccc2[nH]c(=O)c(CN(C[C@H]3CCCO3)S(=O)(=O)c3ccccc3)cc2c1 13554648 HDXGUQXXCOACMM-LJQANCHMSA-N 412.511 3.206 0 40 HGAB O=C(CCc1ccco1)N1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 14182854 UCDODYWPYKFHFG-UHFFFAOYSA-N 417.314 3.052 0 40 HGAB CC(C)CN(C(=O)/C=C/C1=Cc2cc(Cl)ccc2OC1)[C@H]1CCS(=O)(=O)C1 14197767 WYUCVSRMMIBEPC-PXPSOEEZSA-N 409.935 3.344 0 40 HGAB C[C@H](Oc1ccc(Br)cc1)C(=O)NCCc1ccc2c(c1)OCCO2 14226462 FEXYQEXFTMZUAM-ZDUSSCGKSA-N 406.276 3.347 0 40 HGAB O=C(NCCc1cccs1)c1cc(S(=O)(=O)NC2CC2)c(Cl)cc1Cl 14242499 FZAYFBAGIIGOND-UHFFFAOYSA-N 419.355 3.468 0 40 HGAB C[C@@H](OC(=O)c1ccc2ccccc2n1)C(=O)N1CCN(Cc2ccccc2)CC1 16221159 KDHCWBXDUSJNEL-GOSISDBHSA-N 403.482 3.125 0 40 HGAB Cc1cccc(NC(=O)COc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1C 16350138 QQWNLGYVWIJNMR-UHFFFAOYSA-N 402.516 3.496 0 40 HGAB Cc1cc(-c2cccs2)nc([C@@H]2CCCN(C(=O)C[C@H]3CCS(=O)(=O)C3)C2)n1 19117659 SAHYNVIIEWKDNG-HZPDHXFCSA-N 419.572 3.044 0 40 HGAB Cc1ccccc1OC[C@@H]1CCCN(C(=O)Cc2ccc(-n3nnnc3C)cc2)C1 19237347 TVDHQNAVAFDIMP-HXUWFJFHSA-N 405.502 3.139 0 40 HGAB CC[C@@H](Oc1ccccc1F)C(=O)N1CC[C@@H](c2cc(=O)[nH]c(-c3ccncc3)n2)C1 19499350 HHLRSVRRZKMUMK-VQIMIIECSA-N 422.460 3.145 0 40 HGAB CC[C@@H](C)C(=O)N1CC[C@@H](c2nc(O)c3c(n2)CN(Cc2ccc(OC)cc2)CC3)C1 19499770 YHSFSNKPAFHTEL-SJLPKXTDSA-N 424.545 3.111 0 40 HGAB COc1cccc([C@@H]2CNC[C@H]2c2cc(O)nc(NCc3ccccc3OC)n2)c1 19566240 ZQRUVNBEGGROEY-RBUKOAKNSA-N 406.486 3.282 0 40 HGAB Cc1cccc(CNC(=O)c2ccc(C3CCN(C(=O)c4ccccn4)CC3)nc2)n1 19708140 WQUXNJNPBMIHNE-UHFFFAOYSA-N 415.497 3.130 0 40 HGAB COc1ccc(S(=O)(=O)N[C@H]2CCCc3ccccc32)cc1N1CCCC1=O 19931679 KBFLRTOMXGVFLX-SFHVURJKSA-N 400.500 3.178 0 40 HGAB C[C@H](NC(=O)COc1ccc(Cl)cc1S(=O)(=O)N1CCCC1)c1ccccc1 19935219 PABIABBUANCRMU-HNNXBMFYSA-N 422.934 3.381 0 40 HGAB COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(C)C 20009325 ACRFUXJXLUCOOX-KRWDZBQOSA-N 424.950 3.010 0 40 HGAB Cc1ccc(Cl)cc1N(CC(=O)NCCSc1ccccc1)S(C)(=O)=O 20237396 WZDMQCVNGYTCJB-UHFFFAOYSA-N 412.964 3.323 0 40 HGAB C[C@H](C(=O)NCc1ccco1)[C@@H]1CC[C@@]2(C)CC[C@H](NC(=O)C3CC3)[C@@H](C)[C@@H]2[C@H]1O 20466641 SMPCUZCXWYVUJZ-QURNJVANSA-N 416.562 3.250 0 40 HGAB biogenic,in-vitro COc1cc2ncn(CC(=O)Nc3ccc(Cl)c(Cl)c3)c(=O)c2cc1OC 20717441 ZDEUXPFBEDQHDE-UHFFFAOYSA-N 408.241 3.359 0 40 HGAB O=C(COc1cccc2ccccc12)NCCNC(=O)c1nc(C2CCCCC2)no1 21452484 PRQKRIVOEMIADB-UHFFFAOYSA-N 422.485 3.196 0 40 HGAB CS(=O)(=O)N1CCC(Nc2ncnc3scc(-c4ccc(F)cc4)c23)CC1 22239989 ZJHMSVDYTJBODS-UHFFFAOYSA-N 406.508 3.333 0 40 HGAB CCCOc1ccc(N(CC(=O)N[C@@H](C)c2ccc(C)cc2)S(C)(=O)=O)cc1 22397543 BNHDUBMHAXBIKE-KRWDZBQOSA-N 404.532 3.427 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)COc1ccccc1Cl 22523237 ZNBYAZYUHMBSKV-UHFFFAOYSA-N 424.906 3.151 0 40 HGAB CC(C)C(=O)N1CCC[C@@H](C(=O)N[C@H](c2ccc(Cl)cc2)c2nccn2C)C1 23189163 MREKQBNUWHBZKB-SJLPKXTDSA-N 402.926 3.174 0 40 HGAB Cc1ccc(C)c(OCCCn2c(CN3CCOCC3)nc3ccccc3c2=O)c1 32741488 KBWLJVBNBPKAPK-UHFFFAOYSA-N 407.514 3.315 0 40 HGAB O=C(c1ccccc1)N1CCN(C(=O)C2(c3ccc4c(c3)OCCO4)CCCC2)CC1 32841461 KZCLWJQKMKQTHQ-UHFFFAOYSA-N 420.509 3.254 0 40 HGAB Cc1nn(C)c(Cl)c1C(=O)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 32879841 ODOIAIOBMQWFRI-UHFFFAOYSA-N 400.832 3.359 0 40 HGAB CS(=O)(=O)c1ccccc1C(=O)NC[C@@H](c1ccccc1Cl)N1CCCC1 32902479 APKNBXKVKJADHJ-SFHVURJKSA-N 406.935 3.310 0 40 HGAB COc1ccc(Br)cc1S(=O)(=O)Nc1ccccc1-c1nc(C)n[nH]1 32932351 NSGTVMPDJMWMBZ-UHFFFAOYSA-N 423.292 3.352 0 40 HGAB CC[C@@H](c1nnnn1C[C@@H]1CCCO1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 35291351 FCIIEWZFPQAIIV-ROUUACIJSA-N 424.471 3.144 0 40 HGAB COc1ccc(OC)c([C@H](C)NC(=O)CN(C)[C@H](C)c2ccc(-n3cncn3)cc2)c1 39990665 GBTODMZNICNMTQ-DLBZAZTESA-N 423.517 3.155 0 40 HGAB CC(C)(C)c1cc(NC(=O)/C=C/c2c(F)cccc2F)n([C@H]2CCS(=O)(=O)C2)n1 40132502 HIJWHYCEKWMDQP-GWJCSSMESA-N 423.485 3.470 0 40 HGAB Cc1nc2ccc(NC(=O)NCCS(=O)(=O)N3CCc4ccccc43)cc2s1 43375099 REWDMSMSXSINSQ-UHFFFAOYSA-N 416.528 3.119 0 40 HGAB Cc1ccc(NC(=O)Cn2cnc3c(c2=O)CN(Cc2ccccc2)CC3)cc1C 49400708 BULKRDXGSFHDBO-UHFFFAOYSA-N 402.498 3.057 0 40 HGAB CC(C)c1ccc(N2CCN(CC(=O)N3CCN(Cc4ccccc4)CC3)C2=O)cc1 49403546 MBGIAUKGHBUUOO-UHFFFAOYSA-N 420.557 3.396 0 40 HGAB O=C(NC1CC1)c1cccc(OS(=O)(=O)c2ccc(Br)s2)c1 56102729 WVVOCQFNEMGUAU-UHFFFAOYSA-N 402.291 3.171 0 40 HGAB CCCn1c(=O)c2ccccc2n(CC(=O)Nc2cccc(C(F)(F)F)c2)c1=O 57477419 HERFITAQGIFYSC-UHFFFAOYSA-N 405.376 3.231 0 40 HGAB Cc1cccc(CN2CCC(NC(=O)COc3ccc(N4CCCC4=O)cc3)CC2)c1 57646265 KFOZQBGVKZPOEU-UHFFFAOYSA-N 421.541 3.281 0 40 HGAB Cc1nn(C)c(C)c1NC(=O)[C@H](C)N1CCN(c2cccc(C(F)(F)F)c2)CC1 57752753 SJZGEQUEGNTFMX-HNNXBMFYSA-N 409.456 3.205 0 40 HGAB CCCCn1nc(C(=O)NC[C@@H]2CCN(c3cc(Cl)ccc3C)C2)ccc1=O 58246784 LYUQCKZQOASDDG-INIZCTEOSA-N 402.926 3.262 0 40 HGAB O=C(NCC1CC1)[C@@H]1CSCN1C(=O)c1cc(Br)ccc1Cl 65591036 LWMAHFHRKKHKJZ-ZDUSSCGKSA-N 403.729 3.144 0 40 HGAB Cc1cccc(NC(=O)Cn2c(-c3ccc(F)cc3)nc(C)c(CCO)c2=O)c1C 67301035 ZBTJPOBRIUFBQO-UHFFFAOYSA-N 409.461 3.148 0 40 HGAB CCOc1ccccc1NC(=O)c1nnn(CC(=O)Nc2c(C)cccc2C)c1C 67323621 CGZMQAHJKJTGQM-UHFFFAOYSA-N 407.474 3.493 0 40 HGAB COCCCN1C(=O)CCc2c(C)nc(CN(C)Cc3ccc(Cl)cc3)nc21 72380036 HIHVKEBZSWVNSD-UHFFFAOYSA-N 402.926 3.386 0 40 HGAB COCCN1C(=O)c2ccc(C(=O)Nc3nc(-c4cccs4)cs3)cc2C1=O 72406135 LCMNVQQMPMWELN-UHFFFAOYSA-N 413.480 3.366 0 40 HGAB Cc1nn(C)c2ncc(C(=O)N[C@@H]3CCCC[C@H]3CNC(=O)OC(C)(C)C)cc12 78877518 JDPVNWIJPHNXOA-WMLDXEAASA-N 401.511 3.090 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc([C@H](C)NCc2cnc3nc(C)cc(C)n23)cc1 78998840 XYAWXZZJCTZQQI-KRWDZBQOSA-N 415.563 3.227 0 40 HGAB Cc1nn(C)c(C)c1S(=O)(=O)NC(=O)/C=C(/c1ccc(Cl)cc1)C(F)(F)F 89512364 LTFGHPWKHXRTTI-JYRVWZFOSA-N 421.828 3.141 0 40 HGAB COc1ccc(CNC(=O)N2CC[C@@H](S(=O)(=O)c3ccc(Cl)cc3)C2)cc1 96103497 VONDJJPQAQBMON-GOSISDBHSA-N 408.907 3.106 0 40 HGAB COc1ccc(C(=O)[C@@H](c2cc(OC)c3c(c2OC)OCO3)C(OC)OC)cc1 96325941 PGKGCQGVVKXFKX-MRXNPFEDSA-N 404.415 3.027 0 40 HGAB COc1ccc(CCNC(=O)[C@@H]2CC(=O)N([C@@H]3CCC[C@H](C)[C@@H]3C)C2)cc1OC 107081137 QJGDYQIUFXYBLW-RNIPGJKVSA-N 402.535 3.036 0 40 HGAB Cc1cc(OC2CCN(S(=O)(=O)c3c(C)c(C)cc(C)c3C)CC2)cc(=O)o1 206976508 YNRCDLJKBDYWNG-UHFFFAOYSA-N 405.516 3.414 0 40 HGAB COc1cc(OC)cc(C(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)c1 216273838 HFGQGSYENOCBNJ-UHFFFAOYSA-N 413.455 3.152 0 40 HGAB O=C(O)c1cc(S(=O)(=O)NCCc2ccccc2)ccc1NCc1ccco1 217616256 MKVYJEOFBVEOHD-UHFFFAOYSA-N 400.456 3.111 0 40 HGAB CCN(CC(=O)Nc1cc(-c2cccc(F)c2)[nH]n1)S(=O)(=O)c1ccc(F)cc1 223060597 JYZRLFNZWMEERG-UHFFFAOYSA-N 420.441 3.004 0 40 HGAB CCC(=O)N(Cc1ccc(OC)cc1)[C@H](Cc1ccccc1)C(=O)NC[C@H]1CCCO1 223264556 VYPHJFOEQRQGDO-DHIUTWEWSA-N 424.541 3.340 0 40 HGAB COc1ccc(S(=O)(=O)N(C)Cc2nc(-c3cccc(Cl)c3)no2)cc1F 223601691 OBXAFSJPRPEGPM-UHFFFAOYSA-N 411.842 3.358 0 40 HGAB Cc1ccccc1NS(=O)(=O)c1cccc(C(=O)NCc2ccc3c(c2)OCO3)c1 223939125 BKHJKZOUBJCNFD-UHFFFAOYSA-N 424.478 3.455 0 40 HGAB COc1ccccc1NC(=O)Nc1cnc(N2CCN(c3ccccc3)CC2)nc1 224269344 CSZXYBBBDUKEAU-UHFFFAOYSA-N 404.474 3.456 0 40 HGAB Cn1c(=O)sc2cc(S(=O)(=O)Nc3ccc(N4CCCCC4)cc3)ccc21 224980986 QWFQVXUSJGIZNJ-UHFFFAOYSA-N 403.529 3.391 0 40 HGAB CN(CC(=O)NCc1cccc2ccccc12)S(=O)(=O)c1ccc(Cl)cc1 226020258 NUFXGRMPMXRHAR-UHFFFAOYSA-N 402.903 3.430 0 40 HGAB CCOc1ccccc1-c1cc(C(=O)N2CCC[C@@]3(C)[C@@H]2CCCN3C(C)=O)[nH]n1 257342717 ZPVZNTQSPLMHGA-GMAHTHKFSA-N 410.518 3.481 0 40 HGAB COc1cc(=O)oc(/C=C/C=C/C=C/C(C)=C/[C@]2(C)O[C@H](C)[C@@](C)(O)[C@H]2O)c1C 257372314 JLSVDPQAIKFBTO-PPKGRAMKSA-N 402.487 3.318 0 40 HGAB biogenic,in-vitro CC[C@H]1CCCCN1CCCNC(=S)Nc1cccc(N(C)S(C)(=O)=O)c1 260742419 VZLBWVKGCRGUDY-KRWDZBQOSA-N 412.625 3.023 0 40 HGAB CS(=O)(=O)N(CC(=O)Nc1cccc(Br)c1)c1ccc(F)c(F)c1 408694131 CEELQWPBZYODHM-UHFFFAOYSA-N 419.247 3.132 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCCSC(C)(C)C 408703298 REBLXIMTILUCQH-UHFFFAOYSA-N 414.593 3.131 0 40 HGAB CCOCCCNC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccccc1 409116321 PDFPFSYALOIMKO-UHFFFAOYSA-N 404.532 3.042 0 40 HGAB Cc1ccc(NC(=O)COc2ccc(S(=O)(=O)N3CCCC3)cc2C)cc1C 409389664 ICNRMIMVAMLABM-UHFFFAOYSA-N 402.516 3.414 0 40 HGAB C[C@]1(c2ccc(CNC(=O)[C@@H]3C[C@H]3c3cccc4ccccc34)cc2)NC(=O)NC1=O 517396797 NTLFOUIEACNOEL-BPYKYCOYSA-N 413.477 3.314 0 40 HGAB COc1cc(C)c(S(=O)(=O)N2CSC[C@@H]2C(=O)Nc2ccccc2C)c(C)c1 523977482 SAWFQFDCACDJJR-GOSISDBHSA-N 420.556 3.323 0 40 HGAB O=C(c1ccc(-c2ccccc2)cc1)N1CCC(N2CC(=O)N(C3CC3)C2=O)CC1 618256510 SWERHTVRDLBUOD-UHFFFAOYSA-N 403.482 3.385 0 40 HGAB C=CC(=O)N1CCC(C(=O)N2CCN(c3ccc(F)cc3)CC2)(c2ccccc2)CC1 1135581056 OFRBOQLVTWPDND-UHFFFAOYSA-N 421.516 3.221 0 40 HGAB CC(C)N1CCC(N2CCOC[C@@]3(CN(c4ccc(Cl)cc4)C(=O)O3)C2)CC1 1615154939 JXEBGLZOYIWVSE-NRFANRHFSA-N 407.942 3.240 0 40 HGAB Cc1cc(C(=O)N[C@@H](c2ccc(Cl)c(F)c2)c2nn[nH]n2)ccc1-n1cccn1 1624785648 COJNLSZHDYIILK-KRWDZBQOSA-N 411.828 3.006 0 40 HGAB Cc1ccsc1S(=O)(=O)N1C[C@H]2CCC[C@@H](C1)C2CC(=O)NCc1ccco1 2055746086 IYQYVEHTCQPVNH-BYICEURKSA-N 422.572 3.393 0 40 HGAB COc1cc(C(=O)Nc2ccc(N3CCOCC3)c(Cl)c2)cc(OC)c1OC 849421 OSIIJZYYTVVECV-UHFFFAOYSA-N 406.866 3.455 0 40 HGAB COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=C3S[C@H](C)C(=O)N32)cc1OC 2253400 RDGYCALCPGBODJ-PXAZEXFGSA-N 404.488 3.304 0 40 HGAB O=C(O)CC12C[C@@H]3C[C@H](C1)CC(n1ncc(NC[C@@H]4CCCO4)c(Cl)c1=O)(C3)C2 2348191 DVBMTEUIDSJCBO-HFQCRRRSSA-N 421.925 3.258 0 40 HGAB O=C(O)[C@H](Cc1ccccc1)NC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 2411795 PCEPHLOWQYNIIO-SFHVURJKSA-N 421.419 3.233 0 40 HGAB CNC(=S)N1c2ccccc2NC(=O)[C@@H]1CC(=O)Nc1cccc(Cl)c1C 3357998 DOYZINWRGNBILC-INIZCTEOSA-N 402.907 3.309 0 40 HGAB COC(=O)c1ccc(CN(Cc2ccco2)S(=O)(=O)c2ccc(OC)cc2)o1 3371875 QUSDSBXRAAYFAE-UHFFFAOYSA-N 405.428 3.059 0 40 HGAB COc1ccc(CCNC(=O)COC(=O)c2c(C)nn(-c3ccccc3)c2C)cc1 3410971 VICCHRXPKCNOPS-UHFFFAOYSA-N 407.470 3.013 0 40 HGAB COc1ccc(NC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2=O)cc1 4554308 CUNZZMHAVBCWQM-RQKIBSNQSA-N 418.493 3.276 0 40 HGAB CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)NC2CCCC2)CC1 4813779 ADRLTHPYTQNSDX-UHFFFAOYSA-N 414.955 3.198 0 40 HGAB Cc1ccc(N2CCN(S(=O)(=O)c3ccc4oc(=O)ccc4c3)CC2)cc1Cl 4932233 YICUWALMFGSWSK-UHFFFAOYSA-N 418.902 3.266 0 40 HGAB C[C@@H]1CCC[C@H](NC(=O)COC(=O)CNC(=O)c2ccc(Cl)cc2Cl)[C@@H]1C 4994288 DSYKRDJVJRYPEY-HSMVNMDESA-N 415.317 3.207 0 40 HGAB O=C(CSc1nnnn1-c1cccc2ccccc12)Nc1ccc2nccnc2c1 5347516 VUBUMLYTPQAVKB-UHFFFAOYSA-N 413.466 3.490 0 40 HGAB CS(=O)(=O)N1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc(F)cc3)=NN12 5557133 RKNOALDQWUSNGM-LJQANCHMSA-N 415.490 3.121 0 40 HGAB COc1ccc(OC)c([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCCO)c1 5576026 ADDAOPRWSPRUCY-FQEVSTJZSA-N 409.438 3.046 0 40 HGAB Cc1cccc(C)c1NC(=O)CN1N=N[C@H]2C(=O)N(c3ccc(C(C)C)cc3)C(=O)[C@H]21 6770242 PRWPHYKMELVVDO-RTWAWAEBSA-N 419.485 3.359 0 40 HGAB CC[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)Nc2cc(C)ccc2OC)C1=O 6881848 DZEWBSHVJSOPOL-NRFANRHFSA-N 415.877 3.453 0 40 HGAB COc1ccc(NC(C)=O)cc1NS(=O)(=O)c1ccc(OC(F)(F)F)cc1 7051229 CXUBJIXHJZMHLU-UHFFFAOYSA-N 404.366 3.353 0 40 HGAB Cc1cccc(-c2nnc(SCC(=O)NC[C@@H]3CCCO3)n2Cc2ccco2)c1 7780178 GJCKMJKRZAATLL-KRWDZBQOSA-N 412.515 3.282 0 40 HGAB Cc1cccc(-c2ccc3c(c2)C(=O)N2CC[C@H](NC(=O)NC(C)C)[C@H]2C(=O)N3)c1C 8296889 UXTIGGANDZRUOE-SFTDATJTSA-N 420.513 3.213 0 40 HGAB biogenic,in-vitro Cc1nn(Cc2nc(-c3ccsc3)no2)c(C)c1S(=O)(=O)N1CCC(C)CC1 8352743 WVDZCSYXWDRUDG-UHFFFAOYSA-N 421.548 3.080 0 40 HGAB CC(=O)c1ccc(O[C@H](C)C(=O)OCc2nc(N)nc(Nc3ccccc3C)n2)cc1 8390601 IXYLHOIRXIWNLC-OAHLLOKOSA-N 421.457 3.219 0 40 HGAB COc1ccc(S(=O)(=O)NCCc2ccccc2)cc1C(=O)N1CCCCCC1 8405004 ARBAZSBTZQIEKA-UHFFFAOYSA-N 416.543 3.232 0 40 HGAB CN(C)c1ccc(-c2c3c(nc4nc5[nH]ncn5c(=O)c24)-c2ccccc2CC3)cc1 8717082 VVVPMSUOMGXMAR-UHFFFAOYSA-N 408.465 3.464 0 40 HGAB CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)c1cccc(Br)c1 8753987 AYHVCDZJOIOANH-UHFFFAOYSA-N 419.275 3.321 0 40 HGAB CC[C@@H](C(=O)NCCn1ncc2c(N3CCCC3)nc(SC)nc21)c1ccccc1 8946815 OBDUNTLLVLIZTJ-QGZVFWFLSA-N 424.574 3.458 0 40 HGAB COc1ccc(N2C(=O)[C@H]3[C@@H]4CCCN4[C@H](C(=O)c4ccc(Cl)cc4)[C@@H]3C2=O)cc1 9345488 USJLSKUJLJCMPX-HAGHYFMRSA-N 424.884 3.184 0 40 HGAB COc1ccc(N([C@@H](C)C(=O)NCCCc2ccccc2)S(C)(=O)=O)cc1Cl 10110321 WJIOVOZKMYTZLI-HNNXBMFYSA-N 424.950 3.252 0 40 HGAB O=C(COc1ccc(Cl)cc1Cl)NCCNC(=O)c1ccc2ccccc2n1 10313554 IPZXJKBHPIGSRG-UHFFFAOYSA-N 418.280 3.467 0 40 HGAB O=C(CS(=O)(=O)Cc1ccccc1)Nc1nc2c(s1)COc1ccccc1-2 10619182 IYORMIHQWGQOCW-UHFFFAOYSA-N 400.481 3.256 0 40 HGAB COc1ccc(CC(=O)N[C@H]2C[C@@]3(CCC(=O)N(C)CC3)Oc3ccccc32)cc1 12086414 ZRHXGLWBQUVRFW-RDPSFJRHSA-N 408.498 3.259 0 40 HGAB CS(=O)(=O)c1ccc(CC(=O)N[C@H](Cc2ccsc2)c2nccs2)cc1 12226642 PDGSEBNNIPPOKY-MRXNPFEDSA-N 406.554 3.251 0 40 HGAB O=C(Nc1nc2ccccc2s1)c1cc(Br)ccc1-n1cnnn1 12390765 YTHZDLZIGYPAAM-UHFFFAOYSA-N 401.249 3.287 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCN(c3ccc(-c4cccs4)nn3)CC2)c(C)c1 12443557 UCSWAEDYUVHAEH-UHFFFAOYSA-N 414.556 3.333 0 40 HGAB O=C(CN1CCN(c2cccc(Cl)c2)CC1)Nc1cc2c(cc1Cl)OCO2 12545047 NJFDYGFBTZQVJD-UHFFFAOYSA-N 408.285 3.483 0 40 HGAB CC(=O)Nc1ccc(NC(=O)[C@@H](C)N2CCC(C(=O)Nc3ccccc3O)CC2)cc1 12795329 ITKYIHBPSPLISQ-OAHLLOKOSA-N 424.501 3.028 0 40 HGAB COC(=O)CC[C@@H](NC(=O)[C@H](Sc1ccccc1)c1ccccc1)C(=O)OC 12804136 HBVXVZIOZGLCKJ-IEBWSBKVSA-N 401.484 3.131 0 40 HGAB O=C(COC(=O)C1(S(=O)(=O)c2ccccc2)CCCC1)c1ccc(F)c(F)c1 12918294 PEADTYNCXMSDKL-UHFFFAOYSA-N 408.422 3.477 0 40 HGAB CN(Cc1nc2ccccc2c(=O)[nH]1)Cc1cc2c(cc1Br)OCCO2 13023999 CCAWJZMYFMZCEO-UHFFFAOYSA-N 416.275 3.089 0 40 HGAB CCOC(=O)c1cccc(NC(=O)[C@@H](C)N(c2cc(C)ccc2C)S(C)(=O)=O)c1 13647282 LGYPSTBMVLPBKP-MRXNPFEDSA-N 418.515 3.273 0 40 HGAB CC[C@H](C(=O)NCCc1ccc(OC)cc1)N(c1ccc(C)c(C)c1)S(C)(=O)=O 13716300 NYUOMQOLBADHDO-OAQYLSRUSA-N 418.559 3.216 0 40 HGAB CNS(=O)(=O)c1ccc(F)c(C(=O)OCc2cc(-c3ccc(Cl)cc3)no2)c1 14807111 SEYWCXHREYYBDN-UHFFFAOYSA-N 424.837 3.399 0 40 HGAB CCOC(=O)[C@@H]1CCCN([C@@H](c2ccco2)c2sc3nc(CC)nn3c2O)C1 16690080 IRBPUJOHULTFDG-DOMZBBRYSA-N 404.492 3.016 0 40 HGAB O=C(NCc1ccncc1)C1CCN(C(=O)c2ccc(Br)cc2)CC1 17168383 XGRZUKLRBSNFHB-UHFFFAOYSA-N 402.292 3.013 0 40 HGAB CCN(CC(=O)Nc1ccccc1Br)Cc1nc2ccccc2c(=O)[nH]1 18205625 LWKHHZFSSCNUNZ-UHFFFAOYSA-N 415.291 3.146 0 40 HGAB COc1ccc(-c2noc([C@@H]3CN(C(=O)c4cnc(C(C)(C)C)nc4)CCO3)n2)cc1 19084791 WFNKPSIMHLGQAQ-KRWDZBQOSA-N 423.473 3.046 0 40 HGAB Fc1ccc(-n2cccc2CN(CCN2CCOCC2)Cc2cccnc2)c(F)c1 19338662 MOXBOSVACSXNBA-UHFFFAOYSA-N 412.484 3.485 0 40 HGAB CSc1nc2nc(C)c(CC(=O)O[C@@H](C)c3nnc(-c4ccccc4)o3)c(C)n2n1 19356645 QWKMRPMAPACCFA-ZDUSSCGKSA-N 424.486 3.360 0 40 HGAB O=C1NCCN(C(=O)c2ccccn2)C[C@H]1Cc1ccc(-c2ccccc2F)cc1 19368407 CPJNQHJEHGKWJJ-LJQANCHMSA-N 403.457 3.319 0 40 HGAB NC(=O)[C@@]1(Cc2ccc(-c3cccs3)cc2)CN(C(=O)Cc2ccccc2)CCO1 19370259 SNZCFLWVHJQQIR-XMMPIXPASA-N 420.534 3.283 0 40 HGAB Cc1nn(CC(=O)N2C[C@@H](c3ccccc3F)[C@@]3(CCCCC(=O)N3)C2)c(C)c1C 19556535 OKZBBWIPVPQTRG-WMZHIEFXSA-N 412.509 3.002 0 40 HGAB CNC(=O)[C@@]1(Cc2ccccc2-c2ccccc2)CCCN(C(=O)c2cc[nH]n2)C1 19591170 UHEIQJUEKJZHEI-XMMPIXPASA-N 402.498 3.288 0 40 HGAB O=C(CN1CCO[C@@H](c2nccnc2-c2cccc(C(F)(F)F)c2)C1)N1CCCC1 19693249 UWLOOPUOCISVMT-QGZVFWFLSA-N 420.435 3.158 0 40 HGAB Cc1nonc1CC(=O)N1CCCC[C@H]1c1nc(N(C)C)ncc1-c1ccc(F)cc1 19694309 WBBKMXGALBTLJT-IBGZPJMESA-N 424.480 3.336 0 40 HGAB CNC(=O)c1[nH]c(C2CCN(C(=O)[C@@H]3CC34CCC4)CC2)nc1-c1ccc(OC)cc1 19697042 YREFQWLWSSEUSK-SFHVURJKSA-N 422.529 3.341 0 40 HGAB Cc1nc([C@H]2CCCN2C(=O)Cn2cccn2)ccc1C(=O)NCc1ccc(F)cc1 19711206 DZCXBDGSDMBAJL-OAQYLSRUSA-N 421.476 3.019 0 40 HGAB CC1CCN(c2ccc(C(=O)NCc3ccc(S(=O)(=O)N(C)C)cc3)cc2)CC1 19715663 KPTKABIQGCUTDK-UHFFFAOYSA-N 415.559 3.103 0 40 HGAB CN(CCc1ccccn1)c1nc(O)cc(C2CCN(Cc3cccnc3)CC2)n1 19717547 IOXFDCGXKQFPNM-UHFFFAOYSA-N 404.518 3.031 0 40 HGAB COc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2C(=O)NCc2ccc(Cl)cc2)c1 22229653 MZGMPOXHRKMXQD-SFHVURJKSA-N 422.934 3.127 0 40 HGAB CN1CCN([C@H](CNC(=O)c2ccc(Br)cc2)c2cccs2)CC1 22789457 BHRPYISUCGRBJW-MRXNPFEDSA-N 408.365 3.229 0 40 HGAB COCCOC(=O)C1=C(C)N(C)C(=S)N[C@@H]1c1ccc(-c2ccccc2F)o1 22826896 WELAMDAHGKBJJX-GOSISDBHSA-N 404.463 3.410 0 40 HGAB COc1ccccc1NC(=O)C[C@H]1C(=O)N(C[C@@H]2CCCO2)c2nc3ccccc3n21 23382185 ZNTADTSTSTUAAH-KXBFYZLASA-N 420.469 3.140 0 40 HGAB CCOc1cc(C(=O)NCc2ccc(C)n2C)ccc1OCC(=O)N1CCCCC1 23573715 SMYQDJPALZGCTJ-UHFFFAOYSA-N 413.518 3.054 0 40 HGAB O=C(CN1CCN(C(=O)c2ccc(O)c(Cl)c2)CC1)Nc1ccccc1Cl 23742210 ZUUHTXGOGVONDL-UHFFFAOYSA-N 408.285 3.096 0 40 HGAB CC(C)[C@@H](NC(=O)CCS(=O)(=O)c1ccc2c(c1)OCCO2)c1ccc(F)cc1 24136055 RLMCRLMGUYRZEY-OAQYLSRUSA-N 421.490 3.274 0 40 HGAB CCOC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(C[C@H](O)c2ccc(F)cc2)CC1 25225684 MSRZXJQDVOYUCA-LEWJYISDSA-N 420.912 3.435 0 40 HGAB Cc1nc(COc2cccc(/C=C/C(=O)N3CCN(C(=O)C4CC4)CC3)c2)cs1 25589679 CAWDXMHHHPFZGL-VMPITWQZSA-N 411.527 3.125 0 40 HGAB COc1ccc([C@H](CNC(=O)Cc2c(F)cccc2Cl)N2CCOCC2)cc1 25765111 PDENENSNWKJTAF-FQEVSTJZSA-N 406.885 3.220 0 40 HGAB COc1ccc(OC)c([C@@H](C)NC(=O)CN(C)[C@@H](C)c2ccc(-n3cncn3)cc2)c1 28724959 GBTODMZNICNMTQ-SJORKVTESA-N 423.517 3.155 0 40 HGAB CCOc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2)cc1 30953406 UKLZQSUHYBLKLJ-CQSZACIVSA-N 416.861 3.274 0 40 HGAB COc1cccc([C@H]2c3cc4c(cc3O[C@H](N3CCOCC3)[C@H]2C)OCO4)c1OC 31860796 HDTMGYJCRVULBM-BKAZIGDYSA-N 413.470 3.251 0 40 HGAB COc1ccccc1OCC(=O)N1N=C(C2CCCCC2)C[C@@]1(O)C(F)(F)F 32100805 OSOBBWATFVSCLD-GOSISDBHSA-N 400.397 3.494 0 40 HGAB Cc1cc(C)n2ncc(C(=O)N3CCCN(c4ccc(C(F)(F)F)cn4)CC3)c2n1 32426002 VEEIFTAKRORVNJ-UHFFFAOYSA-N 418.423 3.112 0 40 HGAB CCN(CC)[C@H](CNC(=O)NCCOc1ccc(OC)cc1)c1cccc(OC)c1 32802480 INAAGOHLXQKPIN-JOCHJYFZSA-N 415.534 3.465 0 40 HGAB Cc1nc(-c2cc(C(=O)NC3CCN(C(=O)c4ccccc4)CC3)n(C)c2)cs1 32843045 WESCYBJPSSFCKF-UHFFFAOYSA-N 408.527 3.492 0 40 HGAB CS(=O)(=O)c1ccc(-c2cccc(NC(=O)CSCc3ccccc3)c2)nn1 32952529 UWXAXDPGSOLKOG-UHFFFAOYSA-N 413.524 3.419 0 40 HGAB Cc1nn(-c2ccc3nncn3n2)c2c1[C@H](c1ccccc1C(F)(F)F)CC(=O)N2 33011464 GVARJPZUUYUBJM-LBPRGKRZSA-N 413.363 3.111 0 40 HGAB Cc1cccc(-c2noc(Cn3c(=O)n(Cc4ccco4)c(=O)c4ccccc43)n2)c1 38486492 OZQGIFNTYQXRIY-UHFFFAOYSA-N 414.421 3.211 0 40 HGAB O=C(COc1ccc(N2CCCC2=O)cc1)NC[C@H](c1ccccc1)N1CCCC1 40012828 XXOKUQFLRVDKGJ-JOCHJYFZSA-N 407.514 3.146 0 40 HGAB O=C(NCCc1ccc2c(c1)OCO2)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2 40141514 LNOLDZFPXZTDRD-UHFFFAOYSA-N 411.408 3.340 0 40 HGAB CCc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCCC[C@@H]4CC)[nH]c(=O)c32)cc1 40390437 QLTSFQSGMBTDJL-DLBZAZTESA-N 423.517 3.166 0 40 HGAB CS(=O)(=O)Nc1cccc(CNC(=O)Nc2cccc(OC(F)(F)F)c2)c1 44017689 NFBGIILQJJCFKY-UHFFFAOYSA-N 403.382 3.278 0 40 HGAB Cc1cc(C)n(-c2ccc(NC(=O)N3CCN(CCOc4ccccc4)CC3)cn2)n1 48278317 SALZVPHHRPKYLS-UHFFFAOYSA-N 420.517 3.113 0 40 HGAB Cc1ccc(-c2cc3c(=O)n(Cc4nc(-c5cccs5)no4)ncn3n2)c(C)c1 49004318 IOWRZRPGVUZFPF-UHFFFAOYSA-N 404.455 3.335 0 40 HGAB O=C(Nc1ccc(CCN2CCOCC2)cc1)c1ccc(OC[C@H]2CCCO2)cc1 56039130 ZCKNMBZBSPSXPE-HSZRJFAPSA-N 410.514 3.371 0 40 HGAB O=C1C[C@H](c2ccccc2)N(C(=O)CSc2ccc(C(F)(F)F)cn2)CCN1 65488733 BKDPTIKBGICMGA-OAHLLOKOSA-N 409.433 3.282 0 40 HGAB Cc1cccnc1Nc1cccc([C@H]2CCCN(CC(=O)NCc3ccccn3)C2)n1 72376034 SYZBBROGPPMUMK-IBGZPJMESA-N 416.529 3.419 0 40 HGAB COc1ccc2c(c1)OC1(CCN(C(=O)c3cccc4ncccc34)CC1)CNC2=O 72393332 BDADBNZCWUPVJX-UHFFFAOYSA-N 417.465 3.041 0 40 HGAB O=C(Nc1cnc(N2CCN(c3ccccn3)CC2)nc1)c1c(F)cccc1Cl 77196634 UIXRSZDVLGHFCU-UHFFFAOYSA-N 412.856 3.243 0 40 HGAB CNS(=O)(=O)c1ccc(NC[C@@H](c2ccc(OC)cc2)N2CCCCC2)c(F)c1 89395784 XEYSIVKEFRGESI-NRFANRHFSA-N 421.538 3.382 0 40 HGAB CC(C)C[C@H](NC(=O)CCCOCCc1ccccc1)c1nc(-c2nc[nH]n2)no1 89821054 BERWKMIBFGKVCD-KRWDZBQOSA-N 412.494 3.098 0 40 HGAB COc1ccc(C2(C(=O)NC[C@@H](O)c3cn(C)c4ccccc34)CCOCC2)cc1 96096472 QNDFYADXDWOCIF-JOCHJYFZSA-N 408.498 3.085 0 40 HGAB CN(C)C(=O)C[C@@H]1CC2(CCN(C(=O)COc3ccccc3)CC2)Oc2ccccc21 96242913 KHFDBANYASSCHI-LJQANCHMSA-N 422.525 3.471 0 40 HGAB C[C@H]1C[C@@H](C)CN(c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)c3nonc23)C1 102632226 GOAMGRZOIONLKP-FZKCQIBNSA-N 406.552 3.372 0 40 HGAB COc1ccc(-c2csc(NC(=O)[C@H](C)N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)n2)cc1 102778120 DDTIOBQNZLCVIC-APHBMKBZSA-N 411.483 3.097 0 40 HGAB COc1cc(N[C@@H]2CC(=O)N(c3c(C)cccc3C)C2=O)ccc1N1CCCC1=O 103022467 OEDBFQMHBFRZGG-QGZVFWFLSA-N 407.470 3.183 0 40 HGAB O=C(COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1Cl)N1CCCC1 107941009 ZXNTUQCKZRGHNN-UHFFFAOYSA-N 420.918 3.093 0 40 HGAB C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](NC(=O)CN3CCOCC3)CC[C@@H]12 118918559 DMLFUNWWXDIAEI-YDPVSVDQSA-N 418.622 3.207 0 40 HGAB COc1cccc(N([C@@H](C)C(=O)Nc2ccc(OC)c(Cl)c2)S(C)(=O)=O)c1 220164727 HKGNOTFOVWYCSX-LBPRGKRZSA-N 412.895 3.150 0 40 HGAB CC[C@@H](C(=O)N[C@H](C)COc1ccc(C)cc1)N(c1ccccc1F)S(C)(=O)=O 220605831 CPOMSLYCNWANMW-APWZRJJASA-N 422.522 3.262 0 40 HGAB COc1ccc(CN(C)S(=O)(=O)c2cc3c(cc2OC)CCCC3)cc1OC 222579639 YDSUEWRTLOPIFZ-UHFFFAOYSA-N 405.516 3.412 0 40 HGAB CCN(Cc1ccccc1)C(=O)CCCN(c1ccc(OC)cc1)S(C)(=O)=O 222903117 NLFOPUCKLOBXCC-UHFFFAOYSA-N 404.532 3.290 0 40 HGAB CCc1ccc(NS(=O)(=O)c2nnc(NC(=O)c3cccc(C)c3)s2)cc1 223217268 OGUDYWRZUQRCLW-UHFFFAOYSA-N 402.501 3.462 0 40 HGAB C[C@@H](C(=O)NCCSC1CCCC1)N(c1cccc(Cl)c1)S(C)(=O)=O 223309542 VQHNGNIISBWMIC-ZDUSSCGKSA-N 404.985 3.287 0 40 HGAB CCOc1cccc(CN(C)C(=O)c2ccc(N3CCCCS3(=O)=O)cc2)c1 224511225 HNXNLKAZCNHLAB-UHFFFAOYSA-N 402.516 3.288 0 40 HGAB Cc1ccc(SCCNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)cc1 225504105 XXKSJYNEBNJEKH-SFHVURJKSA-N 418.584 3.304 0 40 HGAB CCOc1cc(CCC(=O)NC[C@H]2CC[C@H](c3ccnc4cc(C)nn43)CC2)on1 257317478 VJWVCLKZOPRAGD-QAQDUYKDSA-N 411.506 3.447 0 40 HGAB CCOc1ccc(N([C@@H](C)C(=O)NC[C@H](C)c2ccccc2)S(C)(=O)=O)cc1 260790524 FXBISNFQLYCOTB-IRXDYDNUSA-N 404.532 3.160 0 40 HGAB COc1ccc(-c2cnc3n2C[C@]2(CCN(Cc4cccnc4OC)C2)OC3)cc1 306123076 ADZJUISSVYPBIX-HSZRJFAPSA-N 406.486 3.137 0 40 HGAB Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCCCCC2)cc1 408594801 QTPOVVZGQPWEJU-NRFANRHFSA-N 400.544 3.287 0 40 HGAB CN(Cc1ccccc1)C(=O)CN(Cc1ccc(Cl)c(Cl)c1)S(C)(=O)=O 408608127 KMZWFPPDGSAOBR-UHFFFAOYSA-N 415.342 3.414 0 40 HGAB Cc1ccc([C@@H]2[C@H](NC(=O)c3ccccc3)C(=O)N/[N+]2=C\c2ccc(F)cc2)cc1 409055241 KPGPSFBRTPMUJR-DCFWFYTKSA-O 402.449 3.150 0 40 HGAB O=C(c1ccc2nc[nH]c2c1)N1CCN(C(=O)C2(c3ccc(F)cc3F)CCC2)CC1 539685757 YZBROBJPRFWKNI-UHFFFAOYSA-N 424.451 3.247 0 40 HGAB Cc1csc(Nc2cc([C@@H]3CCN(C(=O)/C=C/c4cnn(C)c4)C3)nc(C)n2)n1 585291043 IGNWJGZLJJDYHT-DWTRPJMMSA-N 409.519 3.056 0 40 HGAB CC(C)n1cc(CCNC(=O)C[C@@H]2NC(=O)N(c3ccccc3)C2=O)c2ccccc21 604405250 XYKUQFLWZQCPJA-FQEVSTJZSA-N 418.497 3.396 0 40 HGAB biogenic CN1CCN(S(=O)(=O)c2cccc(NC(=O)NCCCCC3CCCC3)c2)CC1 1198910362 CVOUMGYXLWKKEE-UHFFFAOYSA-N 422.595 3.105 0 40 HGAB CC(C)CS(=O)(=O)N1CC2(CCN(C3CCN(C(C)C)CC3)CC2)CC1(C)C 1615154965 LCDOVTSKFPYBEI-UHFFFAOYSA-N 413.672 3.412 0 40 HGAB CCCN1C(=O)S[C@H](CC(=O)Nc2ccc(I)cc2)C1=O 2244591 GEAMKDRJSUYSBG-LLVKDONJSA-N 418.256 3.094 0 40 HGAB Cc1c(Br)c(C(F)F)nn1[C@H](C)C(=O)NCCn1cc(Cl)cn1 2782281 TWUGUKNHJJNRCR-MRVPVSSYSA-N 410.650 3.119 0 40 HGAB CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(C(=O)O)cc1 3194127 UWELZVDJGAQVIM-UHFFFAOYSA-N 400.250 3.347 0 40 HGAB O=C(COC(=O)c1cncc(Br)c1)Nc1ccc(OC(F)F)cc1 3290915 CASPFUDVPFEZQR-UHFFFAOYSA-N 401.163 3.241 0 40 HGAB CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2ccc(O)cc2)n2nc(CCCO)nc2N1 4387660 NDKRALFULXJDCI-OAQYLSRUSA-N 419.485 3.145 0 40 HGAB COc1ccc(N2C(=O)N(c3ccc(C)c(Cl)c3)[C@H]3CS(=O)(=O)C[C@H]32)cc1 4393700 KUYYHNKNPBHHQP-MSOLQXFVSA-N 406.891 3.269 0 40 HGAB CCc1ccc(CN(C(=O)COc2ccc(C)c(C)c2)[C@@H]2CCS(=O)(=O)C2)cc1 5086018 XZGKZTGSWRWJHC-OAQYLSRUSA-N 415.555 3.461 0 40 HGAB CS(=O)(=O)Nc1nc2n(n1)[C@H](c1ccc(Cl)cc1)C[C@H](c1ccccc1)N2 5185926 PTQMJPWQYRDWHN-CVEARBPZSA-N 403.895 3.449 0 40 HGAB O=C(COC(=O)C1CCCCC1)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1 6051699 JDCGGEISMBTKDH-UHFFFAOYSA-N 422.547 3.313 0 40 HGAB O=C(OCC(=O)N(c1ccccc1)C1CCCCC1)c1n[nH]c(=O)c2ccccc12 6606583 YLEKTDVCFORLTA-UHFFFAOYSA-N 405.454 3.446 0 40 HGAB CS(=O)(=O)N(CCCC(=O)NCc1ccccn1)c1cc(Cl)ccc1Cl 7504776 XAWVWLNNDRSZFY-UHFFFAOYSA-N 416.330 3.251 0 40 HGAB Cc1cc(NC(=O)CN2C(=O)N[C@](c3ccccc3)(c3ccc(C)c(C)c3)C2=O)no1 7575884 SRJZPIBHYKCMFZ-HSZRJFAPSA-N 418.453 3.034 0 40 HGAB CCN(Cc1ccc(Cl)s1)C(=O)CSc1nnnn1-c1ccc(O)cc1 7946121 FMUYSODCSNBTSF-UHFFFAOYSA-N 409.924 3.224 0 40 HGAB C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCC(Cc2ccccc2)CC1 8218499 CBWYEKZPHXHRJK-INIZCTEOSA-N 420.962 3.488 0 40 HGAB CC(=O)Nc1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccc(Cl)cc2)cc1 8414784 FNVGOOVCRPTZPV-UHFFFAOYSA-N 417.849 3.199 0 40 HGAB Cc1ccc(N2C(=O)N(c3ccc(Br)cc3)[C@@H]3CS(=O)(=O)C[C@H]32)cc1 8768079 OKHWAVVJEYVCQF-IAGOWNOFSA-N 421.316 3.370 0 40 HGAB NC(=O)c1ccsc1NC(=O)COC(=O)c1cc(-c2ccco2)nc2ccccc12 9440604 BLMZEQCCCMGXEP-UHFFFAOYSA-N 421.434 3.451 0 40 HGAB COc1ccc2cc(CNC(=O)c3ccc4c(c3)CCN4S(C)(=O)=O)ccc2c1 11125411 YOIFTXBNHOVFJZ-UHFFFAOYSA-N 410.495 3.101 0 40 HGAB Cc1oc(C2CC2)cc1C(=O)N1CCC([C@H]2Nc3ccccc3S(=O)(=O)N2)CC1 12089425 YTYBGSWUULOYMD-FQEVSTJZSA-N 415.515 3.048 0 40 HGAB Cc1ccc(-n2ncc3c2CCC[C@H]3NC(=O)C[C@@H]2SC(=O)N(C)C2=O)cc1C 12145619 CCKZIBGNZNJZQZ-AEFFLSMTSA-N 412.515 3.067 0 40 HGAB COc1ccc([C@@H]2CN(C(=O)c3ccncc3)C[C@H]2c2ccnc(C)n2)cc1OC 12235209 WGHYOYOLIVUJOQ-RBUKOAKNSA-N 404.470 3.221 0 40 HGAB O=C1NCCCC[C@H]1Sc1nc2sc3c(c2c(=O)n1Cc1ccco1)CCC3 12271270 VQUYXUBTUWKZQE-OAHLLOKOSA-N 415.540 3.349 0 40 HGAB COc1ccc2c(c1)OC1(CCN(C[C@@H](O)c3ccc4c(c3)CCO4)CC1)C[C@H]2O 12329302 YUPQQSBWLXTTIU-NHCUHLMSSA-N 411.498 3.014 0 40 HGAB COc1ccc(Cc2nnc(SCC(=O)Nc3c(C)cc(C)cc3C)[nH]c2=O)cc1 12347797 UXTVSXNWOSPBCP-UHFFFAOYSA-N 424.526 3.420 0 40 HGAB CCOc1ccccc1[C@@H]1CCC[C@@]2(O)CCN(CC(=O)NCc3ccco3)C[C@H]12 12412461 ZXFHIKYBELAUEJ-XZDHIHRUSA-N 412.530 3.315 0 40 HGAB biogenic,in-vitro COc1cc(N[C@H]2CC(=O)N(c3c(C)cccc3C)C2=O)ccc1N1CCCC1=O 12545382 OEDBFQMHBFRZGG-KRWDZBQOSA-N 407.470 3.183 0 40 HGAB Cc1cccc2c(=O)n(CC(=O)N[C@@H](c3ccc4c(c3)OCCCO4)C(C)C)cnc12 12693741 QCTWFVBYWPBXEK-JOCHJYFZSA-N 421.497 3.380 0 40 HGAB COc1cc(NC(=O)[C@@H]2CC(=O)N([C@@H]3CCC[C@@H](C)[C@@H]3C)C2)cc(OC)c1OC 12868714 GCEMVBADOQUYPQ-JYYAWHABSA-N 404.507 3.324 0 40 HGAB CCOCCCN1CC2=C(C1=O)[C@@H](c1ccc(OCc3ccccc3)cc1)NC(=O)N2 12879332 JQYAWMHIEJIKQL-JOCHJYFZSA-N 421.497 3.142 0 40 HGAB C[C@H](OC(=O)/C=C/c1cccc2ccccc12)C(=O)Nc1cccc(S(N)(=O)=O)c1 12928195 WXFKESRUZNLWBH-LHNRBYRGSA-N 424.478 3.071 0 40 HGAB CSCC[C@@H](NC(=O)COc1ccccc1)C(=O)N1CCC[C@H](C(F)(F)F)C1 12974480 DTULPOYLPDWUFC-GOEBONIOSA-N 418.481 3.104 0 40 HGAB C[C@H](NC(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)C12CC3CC(CC(C3)C1)C2 13000641 PBMFZAACQOLNLL-JRJHLRKTSA-N 421.541 3.101 0 40 HGAB O=C(OCc1nnc(-c2ccccc2)o1)[C@@H]1CS[C@@]2(c3ccccc3)CCC(=O)N12 13112302 RVOZUKAVRAVIGN-HTAPYJJXSA-N 421.478 3.371 0 40 HGAB CCOC(=O)c1cccc(NC(=O)CN(c2cc(C)ccc2C)S(C)(=O)=O)c1C 13632516 ZYVPMYAPGPWINL-UHFFFAOYSA-N 418.515 3.193 0 40 HGAB C[C@@H]1Cc2ccccc2N1C(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 13669542 RNEGKOCAKUYSFG-CYBMUJFWSA-N 412.433 3.449 0 40 HGAB O=c1c2c3c(sc2ncn1C[C@@H](O)COc1ccc(Br)cc1)CCC3 14184120 XZILHXWWTLKZJA-GFCCVEGCSA-N 421.316 3.149 0 40 HGAB COc1ccccc1N1CCN(C(=O)COC(=O)c2ccc(C(F)(F)F)cc2)CC1 18187108 VBXATBJDUOJQAX-UHFFFAOYSA-N 422.403 3.220 0 40 HGAB COCC(=O)N1CC[C@@](Cc2cccc(-c3ccc(F)cc3)c2)(C(=O)NC(C)C)C1 19449235 WHTLBNLPGDFUPU-DEOSSOPVSA-N 412.505 3.425 0 40 HGAB C[C@H]1Cc2ccccc2N1C(=O)[C@@H](C)OC(=O)C1CCN(C(=O)c2ccco2)CC1 19482865 BCPAVOYNLDUOAU-JKSUJKDBSA-N 410.470 3.041 0 40 HGAB Cc1cc(OCC(=O)N2CCO[C@H](c3nc(-c4ccncc4)no3)C2)ccc1Cl 19570745 RQELAKJEJQVTIG-KRWDZBQOSA-N 414.849 3.072 0 40 HGAB Cc1nc(C2CCN(c3ncccn3)CC2)nc2c1CCC(=O)N2Cc1ccccc1 19739523 AXOCSJMDZGODEQ-UHFFFAOYSA-N 414.513 3.438 0 40 HGAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2cc(F)ccc2C)cc1C 20015661 KFTQKKHUELJAMJ-UHFFFAOYSA-N 408.495 3.491 0 40 HGAB CCc1ccccc1NC(=O)C1=C(C)c2cc(OC)c(OC)cc2N(C)S1(=O)=O 20063938 MLTICMZLWLXBNW-UHFFFAOYSA-N 416.499 3.416 0 40 HGAB Fc1ccc([C@@H](c2nnnn2-c2cccc(C(F)(F)F)c2)N2CCOCC2)cc1 20169421 BTEFLJIYTLWOMC-KRWDZBQOSA-N 407.371 3.242 0 40 HGAB CCOCCCNC(=O)c1ccc2c(c1)C[C@H](C)N2S(=O)(=O)c1ccc(F)cc1 20449703 RMWGKAUAOQDVGY-HNNXBMFYSA-N 420.506 3.122 0 40 HGAB CCOc1ccc(/C=C/C(=O)O[C@H](C)C(=O)NCC(=O)Nc2c(C)cccc2C)cc1 24660942 IWWOYVQEVRQKBC-GPZRYRNASA-N 424.497 3.402 0 40 HGAB CC(C)=C[C@H]1[C@H](C(=O)N2CCCN(S(=O)(=O)c3ccc(C)cc3)CC2)C1(C)C 25917969 OPNLNGKTVGYHEN-VQTJNVASSA-N 404.576 3.456 0 40 HGAB C[C@@H](OC(=O)c1cc2sc3ccccc3c2s1)C(=O)N1CCC[C@@H](C(N)=O)C1 27514787 LRZTVUVMTZGANT-VXGBXAGGSA-N 416.524 3.385 0 40 HGAB Cc1cc(O[C@H](C)C(=O)NCC2(N3CCN(C)CC3)CCCCC2)ccc1Cl 27744304 OQNPEZFMHQZZMC-GOSISDBHSA-N 407.986 3.482 0 40 HGAB CCCNC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)cc1 32118545 PDVOTZKGZMSABV-UHFFFAOYSA-N 410.923 3.379 0 40 HGAB CCCn1c(-c2cc(Cl)c(OC)c(OC)c2)nc2cc(S(N)(=O)=O)ccc21 32750824 QMPIQFWBYWUBBV-UHFFFAOYSA-N 409.895 3.431 0 40 HGAB O=C(CCN1CCN(CCOc2ccc(Cl)cc2)CC1)N1CCc2ccccc21 32870829 DAYVBWITWJYDAQ-UHFFFAOYSA-N 413.949 3.316 0 40 HGAB CC(C)Cn1c(SCC(=O)Nc2ccc(F)cc2F)nc2ncccc2c1=O 32893300 BHRJUJQGLUXXOZ-UHFFFAOYSA-N 404.442 3.457 0 40 HGAB COc1ccc(-c2nn3c(c2C)N=C(O)C[C@H]3C(=O)Nc2ccc(C(N)=O)cc2)cc1 35684892 PBWLXJDWDAFRCD-KRWDZBQOSA-N 419.441 3.138 0 40 HGAB CN(CC(=O)Nc1cccc(F)c1)C(=O)c1ccc(NC(=O)c2ccccn2)cc1 36394845 MUDOULBVTZJDPY-UHFFFAOYSA-N 406.417 3.184 0 40 HGAB O=C(c1ccc(Cn2ccnc2)cc1)N1CCN(C(=O)[C@H]2C[C@@H]2c2cccs2)CC1 38730728 LEGWOVZUUFLSEP-PMACEKPBSA-N 420.538 3.081 0 40 HGAB CCc1cccc2c(/C=C3/C(=O)N(C)C(=S)N3C)cn(CC(=O)NC3CCCC3)c12 39556462 COGNDZBPBYBVQS-UNOMPAQXSA-N 424.570 3.292 0 40 HGAB O=C(Nc1ccc2oc(=O)[nH]c2c1)[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 40061125 HIGVOIWLXCMMNE-KGASDJBWSA-N 409.486 3.267 0 40 HGAB COc1ccc(N2C[C@@H](C(=O)OCC(=O)C34CC5CC(CC(C5)C3)C4)CC2=O)cc1 40066818 BQGBDYBENIZRLJ-JNYXMARXSA-N 411.498 3.377 0 40 HGAB COC(=O)CCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc(C(C)(C)C)cc1 46085587 OVQXGMPPEVRBRH-OAQYLSRUSA-N 424.541 3.395 0 40 HGAB CSc1nccn1-c1ccc(C(=O)NCc2ccc(CN3CCOCC3)cc2)cc1 46917595 GKUBAYWOUIKUPI-UHFFFAOYSA-N 422.554 3.356 0 40 HGAB COc1cccc(-c2nc(CN3C(=O)N[C@@](C)(c4ccco4)C3=O)cs2)c1OC 47354355 AYZXGAXKCNSJGZ-FQEVSTJZSA-N 413.455 3.388 0 40 HGAB CNS(=O)(=O)c1ccc(C(=O)Nc2ccc3[nH]c(-c4cccc(F)c4)nc3c2)o1 48311862 IAGQNDGHGRMTNW-UHFFFAOYSA-N 414.418 3.122 0 40 HGAB CC[C@@H](C)[C@H](NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc(F)c(Cl)c1)C(=O)OC 49546379 GCFGODKLZVWZJP-VOZBZGINSA-N 422.888 3.447 0 40 HGAB Cc1ccc(C)c(-c2cc3c(=O)n(CC(=O)Nc4c(F)cccc4F)ncn3n2)c1 51317054 YTTQXBASNOWEEI-UHFFFAOYSA-N 409.396 3.092 0 40 HGAB O=C(CN1CCC(NS(=O)(=O)c2cccs2)CC1)C12CC3CC(CC(C3)C1)C2 57297125 SRJFFZGFNPYYDK-UHFFFAOYSA-N 422.616 3.276 0 40 HGAB COc1ccc(CCNC(=O)N2CCc3cc(OC)c(OC)cc3C2)cc1OC 58436503 YIWRSSWYNFGRKE-UHFFFAOYSA-N 400.475 3.031 0 40 HGAB O=C(Nc1nc2c(s1)CN(S(=O)(=O)/C=C/c1ccccc1)CC2)c1ccco1 70638609 JZVGAXIERXXHJY-FMIVXFBMSA-N 415.496 3.347 0 40 HGAB Cc1cc(=O)oc2c3c(cc(OCC(=O)NCC4CCOCC4)c12)OC(C)(C)CC3 72324954 PZZYIYWRQPZAMY-UHFFFAOYSA-N 415.486 3.127 0 40 HGAB biogenic Cn1ccnc1[C@H](O)c1cccc(F)c1N1CCN(Cc2cccc(F)c2F)CC1 72340605 LJLQRAIVSYRESA-OAQYLSRUSA-N 416.447 3.241 0 40 HGAB O=C(CCN1CCN(c2cccc(Cl)c2)CC1)Nc1ccc(Cn2cncn2)cc1 72403520 NHGNBEPFGKEBLV-UHFFFAOYSA-N 424.936 3.131 0 40 HGAB COc1ccc(-n2cnc3c2[C@@H](c2cc(OC)c4c(c2OC)OCO4)CC(=O)N3)cc1 78546734 NNUUMUXNQYXPMC-CQSZACIVSA-N 423.425 3.101 0 40 HGAB C[C@@H](NC(=O)Nc1cc(C2CC2)nn1[C@H]1CCS(=O)(=O)C1)c1ccc(F)c(F)c1 79015037 JFQWGJUYXSWXLK-RISCZKNCSA-N 424.473 3.281 0 40 HGAB Cc1nnsc1C(=O)N1CC(Oc2nc3c(C(F)(F)F)cccc3s2)C1 90594111 IDBQJNCDURSSLW-UHFFFAOYSA-N 400.407 3.378 0 40 HGAB C[S@@](=O)Cc1cccc(C(=O)N[C@H](CC(=O)O)c2ccc(Br)cc2)c1 95463868 MITTVKOSUVYJSK-CPJLOUKISA-N 424.316 3.273 0 40 HGAB O=C([C@@H]1CCS(=O)(=O)C1)N(Cc1ccc(Cl)c(Cl)c1)Cc1ccccn1 95955800 MTFNBMBRBCRZSI-CQSZACIVSA-N 413.326 3.352 0 40 HGAB COc1cc(/C=C2/N=C(c3cc(C)cc(C)c3)OC2=O)cc(Cl)c1OCC(N)=O 96018684 KDMJFINTFOPLLY-LZYBPNLTSA-N 414.845 3.174 0 40 HGAB CO[C@@](C)(CNS(=O)(=O)c1ccc(Br)s1)c1ccccc1F 96123602 ZOMKLLRJLPONNI-AWEZNQCLSA-N 408.314 3.490 0 40 HGAB CN(Cc1ccccn1)C(=O)c1ccn(-c2ccc3ccc(-c4cnn(C)c4)cn23)n1 96155387 KALLKAXRKQZCFE-UHFFFAOYSA-N 411.469 3.193 0 40 HGAB CC(C)CS(=O)(=O)N1CCC2(CC1)C[C@H](CC(=O)NCC1CC1)c1ccccc12 96242009 DPFPLUSJLYUHAU-IBGZPJMESA-N 418.603 3.410 0 40 HGAB CCOc1cccc(/C=C2\N=C(c3cc(OC)c(OC)c(OC)c3)OC2=O)c1OC 98053538 PWKAANJVZNYBIC-GDNBJRDFSA-N 413.426 3.464 0 40 HGAB C[C@]12NC(=S)N[C@@H](c3cc(Br)ccc3O1)[C@H]2C(=O)Nc1ccccc1 100870332 TWSWFATZOVQBPS-MPGHIAIKSA-N 418.316 3.331 0 40 HGAB CC1(C)[C@@H]2CC[C@]1(CS(=O)(=O)NCC1(c3cccs3)CCOCC1)C(=O)C2 101324146 HSBXXXDBUFGHOQ-QRWLVFNGSA-N 411.589 3.111 0 40 HGAB CCOC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]23CC[C@@]2(O)C[C@@H](OC(C)=O)CC[C@]12CO3 118939758 BRGAXZGYAVEDMI-XQZIKGLHSA-N 420.546 3.388 0 40 HGAB CC[C@H](C)Nc1ccc(S(=O)(=O)NCCc2ccc(OC)cc2)cc1C(=O)O 217618259 LXMPTVOEYNOBKW-AWEZNQCLSA-N 406.504 3.125 0 40 HGAB CC[C@H](C(=O)Nc1ccc2c(c1)OCO2)N(c1cc(C)cc(C)c1)S(C)(=O)=O 220565349 PZQLDFAZXXPQMW-QGZVFWFLSA-N 404.488 3.215 0 40 HGAB CCN(CC(=O)N[C@@H](C)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC)cc1 223062558 ZDCHKQGNMALOSC-AWEZNQCLSA-N 410.923 3.237 0 40 HGAB CC[C@H](C)NC(=O)c1cc(OC)c(OC)cc1N(C)S(=O)(=O)c1ccc(C)cc1 223391492 WMCGLXLQIFSLIT-HNNXBMFYSA-N 420.531 3.366 0 40 HGAB Cc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2ccc(N(C)S(C)(=O)=O)cc2)c(C)c1 225039635 KALJPAKGUZGYFO-IAGOWNOFSA-N 404.532 3.344 0 40 HGAB CC(C)(C)c1ccc(C(=O)Oc2cc(N)n(S(=O)(=O)c3cccc(F)c3)n2)cc1 226817822 OBLFRLITCQTYBJ-UHFFFAOYSA-N 417.462 3.358 0 40 HGAB CC(=O)N1CCC(Cc2ccc(F)cc2)(C(=O)N2CCC[C@@H](c3ccn[nH]3)C2)CC1 257203817 ARTNQJGGVYLOJE-LJQANCHMSA-N 412.509 3.126 0 40 HGAB CC(=O)N[C@H](C)C(=O)N1CC[C@H]2O[C@H]3c4cc(Cl)ccc4OC(C)(C)[C@@H]3C[C@H]2C1 257222774 DUQWJIJDEIXRSS-HKZQAKLXSA-N 420.937 3.330 0 40 HGAB CN(C)c1cccc(OCC(=O)N2CCC[C@@H]2c2nc(Cc3ccc(F)cc3)n[nH]2)c1 257242162 IBJFLHGAFQECCD-HXUWFJFHSA-N 423.492 3.343 0 40 HGAB CNC(=O)c1sc2nccnc2c1[C@H]1CCN(C(=O)c2cnc3ccccc3c2)C1 257280113 OJMKJEIKGNVBRJ-AWEZNQCLSA-N 417.494 3.229 0 40 HGAB CNc1cc(C(=O)N2CCO[C@@H](c3cccc(Nc4ccc(F)cn4)n3)C2)ccn1 257281001 ONGLOCBGWXLJRS-QGZVFWFLSA-N 408.437 3.010 0 40 HGAB O=C(NS(=O)(=O)c1ccc(Br)cc1)c1ccccc1CN1CCCC1 257290276 QCGHDEONKLTRMT-UHFFFAOYSA-N 423.332 3.164 0 40 HGAB CCc1onc(C)c1-c1cccc([C@@H]2CN(C(=O)CCCn3cccn3)CCO2)n1 257294448 QUFHGAGEEFKNCH-FQEVSTJZSA-N 409.490 3.184 0 40 HGAB Cc1ccnc(CN2CC(F)(F)C[C@]3(CCCN(Cc4cc(C)nn4C)C3=O)C2)c1 306144643 ZKVOGBGHVKUBHY-OAQYLSRUSA-N 417.504 3.082 0 40 HGAB CCOc1ccccc1NS(=O)(=O)c1ccc(O[C@H](C)C(=O)NC(C)C)cc1 408600778 CKMUYRWIUWYLOB-OAHLLOKOSA-N 406.504 3.178 0 40 HGAB CC1=CC[C@H]2C(=O)N(c3ccc(C(=O)Nc4ccc(C(=O)O)cc4)cc3)C(=O)[C@@H]2C1 408681328 IXWQIAASHPOAAH-RTBURBONSA-N 404.422 3.483 0 40 HGAB COC(=O)c1ccc(NC(=O)CCCN(c2cccc(Cl)c2)S(C)(=O)=O)cc1 408681586 YFPHTGQGHACZQS-UHFFFAOYSA-N 424.906 3.312 0 40 HGAB COc1cccc(CNC(=O)[C@H]2CC(=O)N(c3ccc(Br)cc3)C2)c1 408707364 JLBJSFFVTUSCIH-AWEZNQCLSA-N 403.276 3.127 0 40 HGAB CNC(=O)c1ccc(C(=O)NCc2ccc(-c3ccc4c(c3)C[C@H](C)O4)cc2)cn1 535311563 ZUXZDOVCMWWGEF-HNNXBMFYSA-N 401.466 3.362 0 40 HGAB O=C1Nc2ccccc2CC[C@@H]1N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 565280205 LORBQSOBXJAGCB-IBGZPJMESA-N 417.431 3.417 0 40 HGAB O=S(=O)(NC[C@H](c1ccsc1)n1cccn1)c1ccccc1Br 618255246 AENQEGGUWZTCHK-CQSZACIVSA-N 412.334 3.275 0 40 HGAB CN1CCc2[nH]c3ccc(C(=O)N4CCC[C@H](c5nnc6ccccn56)C4)cc3c2C1 646901557 FYNHKGANUIHBPG-KRWDZBQOSA-N 414.513 3.218 0 40 HGAB CO[C@H]1CCN(C2CCN(S(=O)(=O)c3ccc(-c4ccc(F)cc4)cc3)CC2)C1 1565522931 CAGMFRYEZAWMGH-NRFANRHFSA-N 418.534 3.367 0 40 HGAB C[C@@H](NC(=O)c1csc(Nc2ccccn2)n1)c1ccc(N2CCNC2=O)cc1 1638742037 CPQAPIYDKRUNKB-CYBMUJFWSA-N 408.487 3.302 0 40 HGAB Cc1cc(S(=O)(=O)N2CC[C@@H]3C[C@]32C(=O)N2CCC(C)CC2)c(C)cc1Cl 2056225449 XHKWEVDVSKXNGL-OXQOHEQNSA-N 410.967 3.368 0 40 HGAB O=C(CN1CC[C@@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@@H]21)N1CCc2ccccc21 2086889742 WFBAJBBJCKHIQL-APWZRJJASA-N 416.447 3.200 0 40 HGAB CCOc1ccccc1NS(=O)(=O)c1ccc(I)cc1 682330 FZUQJIQUYGBWMS-UHFFFAOYSA-N 403.241 3.491 0 40 HGAB COc1ccc(CNC(=O)CN(C(=O)c2csnn2)c2c(C)cc(C)cc2C)cc1 1346511 JMHOYHSAFLPOFC-UHFFFAOYSA-N 424.526 3.435 0 40 HGAB CNC(=O)OCc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1COC(=O)NC 1574676 IHLNVXGNJVWOEZ-UHFFFAOYSA-N 401.250 3.200 0 40 HGAB CC1=C(C(N)=O)[C@@H](c2ccc(OCc3c(F)cccc3Cl)cc2)N2NN=NC2=N1 1789509 OQAIJALRSCCMPV-QGZVFWFLSA-N 414.828 3.416 0 40 HGAB O=C(COc1ncnc2ccc(Br)cc12)Nc1ccc2c(c1)OCCO2 2662033 JZRXKMDRQAALST-UHFFFAOYSA-N 416.231 3.181 0 40 HGAB Cn1c(=O)[nH]c(=O)c2c1nc(Sc1nc3ccccc3s1)n2Cc1ccccc1 3011432 TVJWGHMWILCOGV-UHFFFAOYSA-N 421.507 3.233 0 40 HGAB CC[C@@H](C)N(C(=O)COc1ccccc1Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 3405983 LXUADJYAHISQBQ-WIYYLYMNSA-N 415.555 3.470 0 40 HGAB O=C1CCCN1C(=O)CSc1nnc(-c2ccccc2F)n1Cc1ccccc1 3517488 LNIPCPPGUAZTJP-UHFFFAOYSA-N 410.474 3.374 0 40 HGAB CN(C)S(=O)(=O)c1ccc(NC(=O)/C=C/c2cccc(Br)c2)cc1 3555725 LCJBIFOBHWBFPK-IZZDOVSWSA-N 409.305 3.351 0 40 HGAB COc1ccccc1NC(=S)N(CCCO)Cc1cc2cc(C)ccc2[nH]c1=O 4126972 AMAMVAMQXVTZSX-UHFFFAOYSA-N 411.527 3.427 0 40 HGAB COc1cc(NC(C)=O)c(C(=O)c2nccc3cc(OC)c(OC)cc23)cc1OC 4512205 YARNKHXAYLMIEW-UHFFFAOYSA-N 410.426 3.459 0 40 HGAB O=c1oc2ccccc2c(O)c1C(c1cn[nH]c1)c1c(O)c2ccccc2oc1=O 4556432 GEVZRBHJCYBONJ-UHFFFAOYSA-N 402.362 3.214 0 40 HGAB O=C(CSc1nc2ccccc2o1)N(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 5034020 ZXACMHFQYMYLJU-MRXNPFEDSA-N 416.524 3.136 0 40 HGAB CCOC(=O)c1cc(CC)sc1NC(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O 6006061 UQAIBACIXNTTCU-UHFFFAOYSA-N 421.519 3.023 0 40 HGAB CCc1noc(C)c1C(=O)Nc1ccccc1C(=O)NCc1ccc2c(c1)OCO2 6606627 QNFXXSUDNQCNSN-UHFFFAOYSA-N 407.426 3.456 0 40 HGAB Cc1ccccc1-n1c(C)cc(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)c1C 6969365 OJARSBOPPLCSEL-XDHOZWIPSA-N 400.438 3.464 0 40 HGAB C[C@@H]1CCCCN1CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 7525198 JPPLKXBRABSHNU-OAHLLOKOSA-N 413.971 3.328 0 40 HGAB COc1ccccc1NC(=O)Cc1noc(CSc2ccc3c(c2)OCCO3)n1 7813928 NNXVXVMVGPFENW-UHFFFAOYSA-N 413.455 3.323 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(Cl)cc3)C2)cc1 7941036 JCSISLKNASSNJF-CQSZACIVSA-N 408.907 3.388 0 40 HGAB Cc1ccc(NC(=O)c2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)cc1Cl 8288025 BXZMKXKNEWKOHP-MRXNPFEDSA-N 408.907 3.358 0 40 HGAB C[C@@H](NC(=O)NCc1ccccc1S(=O)(=O)N(C)C)c1cc2ccccc2o1 10589164 GEIORJDPLIKGAE-CQSZACIVSA-N 401.488 3.244 0 40 HGAB O=C(CSc1ccc(NC(=O)c2ccccc2)nn1)Nc1ccc2c(c1)OCCO2 11737773 YVROWAUGDDEEHO-UHFFFAOYSA-N 422.466 3.231 0 40 HGAB Cc1ccc(CSc2nc(-c3ccc(F)cc3)nc3c2c(=O)n(C)c(=O)n3C)cc1 11758212 DLXGMFGUFFMDHS-UHFFFAOYSA-N 422.485 3.434 0 40 HGAB CCCCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)NCc1ccc(C)cc1 12265874 LUCWNHRKSWGANO-DEOSSOPVSA-N 405.498 3.390 0 40 HGAB COc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccc(C(C)=O)cc4)ccn3n2)cc1 12414461 YXXRQJXWRPLUNN-UHFFFAOYSA-N 416.437 3.013 0 40 HGAB Cc1cc(C(=O)OCC(=O)NC(=O)Nc2ccccc2F)c(C)n1Cc1ccccn1 12545675 FSTAJHDWWIUSMT-UHFFFAOYSA-N 424.432 3.192 0 40 HGAB COc1ccccc1OCC(=O)Nn1cnc2scc(-c3ccccc3)c2c1=O 12797445 WMSXQGMXAYDGPJ-UHFFFAOYSA-N 407.451 3.283 0 40 HGAB Cc1ccc(OCC(=O)NCc2ccc(-c3nn4c(C)nnc4s3)cc2)c(C)c1 12854478 SZMIZADNUVVNGP-UHFFFAOYSA-N 407.499 3.473 0 40 HGAB CC[C@H](C)[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NCCC1=CCCCC1 12928620 BCCQYVXITQQDQM-HNAYVOBHSA-N 403.548 3.147 0 40 HGAB COC(=O)c1cccc(OC[C@H](O)CN(C)Cc2ccc(Br)s2)c1 14242192 MIRLZTZRMBWKQZ-CYBMUJFWSA-N 414.321 3.169 0 40 HGAB C[C@@H](OC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccccc1)C(N)=O 14321948 IGJMHJIVURXQCY-OAHLLOKOSA-N 400.438 3.177 0 40 HGAB C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)N3CCCc4ccccc43)c2)C[C@@H](C)O1 16023059 CATFOOCTHYCEEG-CALCHBBNSA-N 414.527 3.078 0 40 HGAB O=C(c1ccccc1)c1ccccc1NC(=O)c1n[nH]cc1I 17090948 IISGZRXGKDOTHN-UHFFFAOYSA-N 417.206 3.498 0 40 HGAB O=C(NCCn1nc(-c2ccc(F)cc2)ccc1=O)c1cccc(C(F)(F)F)c1 17149897 VZZMCGSJXJYJIO-UHFFFAOYSA-N 405.351 3.498 0 40 HGAB Cn1cc(CCC(=O)N2CCO[C@H](c3nc(-c4ccncc4)no3)C2)c2ccccc21 19290424 QXMWQRKZROPBOX-FQEVSTJZSA-N 417.469 3.156 0 40 HGAB NC(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)CN(C(=O)CC2CCCCC2)CCO1 19331469 BNWMPEAZLUAQBG-VWLOTQADSA-N 421.541 3.344 0 40 HGAB COc1ccc(-c2nnc3n2[C@@H]2CCCC[C@H]2N(C(=O)c2cccnc2)C3)cc1OC 19561695 MTJCJODGHZFANG-QZTJIDSGSA-N 419.485 3.497 0 40 HGAB CCN1CCN(Cc2nccn2CC)C[C@H](Cc2ccc(-c3ccncc3)cc2)C1=O 19578107 ROAFKSZKEOGHOP-QHCPKHFHSA-N 417.557 3.488 0 40 HGAB COc1ccccc1CNC(=O)c1cc([C@@H]2CCN(CCc3ccccc3)C2)n[nH]1 19707798 WUOBNELACIJBLC-HXUWFJFHSA-N 404.514 3.380 0 40 HGAB Cc1c(-c2ccnc3cc(C(=O)N(C)Cc4ccc5c(c4)C[C@H](C)O5)nn23)cnn1C 19719053 BWGOFWCIJRDSMK-AWEZNQCLSA-N 416.485 3.034 0 40 HGAB CCN(CC)C(=O)COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1C 20018643 HJPVIFTUFZXYJL-UHFFFAOYSA-N 416.543 3.384 0 40 HGAB Cc1cc(C)c(C(=O)[C@H](C)Sc2nnc(C[C@H]3CCS(=O)(=O)C3)o2)cc1C 21624524 FHKGSADFPZVNAP-LSDHHAIUSA-N 408.545 3.336 0 40 HGAB Cc1ccc(CCCNC(=O)c2ccc(CS(=O)(=O)N3CCCC3)cc2)cc1 22509969 PMLCUOGSIBUUJN-UHFFFAOYSA-N 400.544 3.283 0 40 HGAB CC[C@@H](C)NS(=O)(=O)c1ccc(OCC(=O)N[C@H](C)c2ccc(F)cc2)cc1 22536789 KOPCQUNEKALEEZ-HUUCEWRRSA-N 408.495 3.159 0 40 HGAB Cc1cccc(NC(=O)CN2CCN(Cc3cnn(-c4ccccc4)c3)CC2)c1C 22834914 RTZIQHUJGLYDBL-UHFFFAOYSA-N 403.530 3.245 0 40 HGAB C[C@@H](Sc1nc(CN2CCOCC2)nc2ccccc12)C(=O)NCc1ccccc1 23074492 UHWDZJXYHYJSLM-QGZVFWFLSA-N 422.554 3.259 0 40 HGAB CSc1ncc(C(=O)NCCN2CCN(c3ccccc3)CC2)n1-c1ccccc1 23193932 UEZHXIUOVMZKCW-UHFFFAOYSA-N 421.570 3.146 0 40 HGAB CC(C)(C)c1ccccc1OC[C@@H](O)CN1CCN(Cc2cn3ccccc3n2)CC1 25057869 FPAWFTSSJPFYCF-NRFANRHFSA-N 422.573 3.189 0 40 HGAB O=C(Cc1ccc(Cl)cc1Cl)N(Cc1ccco1)[C@H]1CCS(=O)(=O)C1 25814778 JJKAPJBGZIUASD-AWEZNQCLSA-N 402.299 3.345 0 40 HGAB CCn1c(CN2CCOCC2)nc2cc(NC(=O)COc3ccc(C)cc3)ccc21 26121690 FYXPTTRXRFGMAM-UHFFFAOYSA-N 408.502 3.214 0 40 HGAB COC(=O)c1ccc(C)c(S(=O)(=O)N[C@H](C)c2ccc(NC(=O)C3CC3)cc2)c1 28044857 LRCKZPYBNOIKLN-CQSZACIVSA-N 416.499 3.170 0 40 HGAB Cc1ccccc1-c1noc(CN2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)n1 29833267 OMXBRPMRIRDDDE-UHFFFAOYSA-N 415.497 3.413 0 40 HGAB COC(=O)C[C@H](NC(=O)C[C@@H](NC(N)=O)c1ccccc1C)c1ccc(Cl)cc1 29977433 DNNAHWGPSUTNHM-ZWKOTPCHSA-N 417.893 3.169 0 40 HGAB CC(C)(C)c1ccc(NS(=O)(=O)c2ccc(N3C[C@H](C(=O)O)CC3=O)cc2)cc1 32081202 WSBGHVJCVDZJLE-CQSZACIVSA-N 416.499 3.222 0 40 HGAB O=C(c1ccccc1OCCOc1ccccc1)N1CCN(C[C@H]2CCCO2)CC1 32987922 FKJYNPOCOFATIL-OAQYLSRUSA-N 410.514 3.081 0 40 HGAB O=C(NCc1ccccn1)c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1 34684069 MTGMQPMAZKMUPJ-UHFFFAOYSA-N 400.526 3.329 0 40 HGAB C[C@@H]1Cc2ccccc2N1C(=O)CSc1nnc(-c2ccc3c(c2)OCO3)n1C 35313329 RLXQIQBUMWPCKJ-CYBMUJFWSA-N 408.483 3.281 0 40 HGAB COc1ccc(OC)c(NC(=O)CSc2nc3ccccc3n3c(C)nnc23)c1 35426679 NYIBZROSEAMCDA-UHFFFAOYSA-N 409.471 3.334 0 40 HGAB COc1ccc(C(=O)N2CCN([C@@H](C)c3nc(Cc4ccccc4)no3)CC2)cc1 36391972 PWRQLLWOVBDASH-KRWDZBQOSA-N 406.486 3.188 0 40 HGAB CC(C)CC(=O)N1CCN(CCC(=O)Nc2ccccc2C(=O)c2ccccc2)CC1 40051399 PZEMUBJPXZDKRD-UHFFFAOYSA-N 421.541 3.437 0 40 HGAB CN(C)S(=O)(=O)c1ccc(COc2ccccc2C(=O)Nc2ccccc2)o1 40116069 PYVIJMOVRAXXCX-UHFFFAOYSA-N 400.456 3.361 0 40 HGAB COc1ccc(C)cc1NC(=O)[C@H](C)OC(=O)Cc1csc(-c2ncccn2)n1 40150438 BIQHWBQYTRIHCQ-ZDUSSCGKSA-N 412.471 3.030 0 40 HGAB CC[C@@]1(C)NC(=O)N(CC(=O)N[C@H](Cc2ccc(Cl)cc2)c2ccccc2)C1=O 48332372 JTMNSNAYUHHWKR-XMSQKQJNSA-N 413.905 3.461 0 40 HGAB C[C@@H]1C[C@@H]1C(=O)NCCC(=O)NCC1(c2ccc(Cl)cc2Cl)CCOCC1 55762393 WNXCMYZJRCGOGE-HIFRSBDPSA-N 413.345 3.320 0 40 HGAB Cc1cc(C)c(NC(=O)Cn2nc3nc(Nc4ccccc4)ccn3c2=O)c(C)c1 57507341 BWJGBNDYUOSAEO-UHFFFAOYSA-N 402.458 3.199 0 40 HGAB CNC(=O)c1cccc(NC(=O)[C@](C)(NC(C)=O)c2cccc(C(F)(F)F)c2)c1C 58356097 PSXXMHTUEMGIDZ-HXUWFJFHSA-N 421.419 3.363 0 40 HGAB CCOc1ncccc1C(=O)Nc1cc(Br)ccc1N1CCOCC1 58364836 HVVYVDHKXIFRPG-UHFFFAOYSA-N 406.280 3.332 0 40 HGAB CCn1c(=O)c2ccccc2n(Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)c1=O 64998994 YZSWVRIDZUOEOS-UHFFFAOYSA-N 416.359 3.300 0 40 HGAB CCc1ccc(NC(=O)Cn2ncn3nc(-c4ccc(CC)cc4)cc3c2=O)cc1 67208713 PQLQFFKZVOISKE-UHFFFAOYSA-N 401.470 3.322 0 40 HGAB CCCN1CCc2nc(SCC(=O)NCc3ccccc3Cl)nc(O)c2C1 67291690 POWVUOGITXFTSF-UHFFFAOYSA-N 406.939 3.012 0 40 HGAB CCCc1noc(-c2ccnc(-n3cnc(C(=O)NCc4ccc(F)cc4F)c3)c2)n1 71768450 SQUNLGARHFXXCX-UHFFFAOYSA-N 424.411 3.478 0 40 HGAB O=C(NCc1ccc2c(c1)OCO2)[C@@H](c1ccccc1)N1CCC(c2ncc[nH]2)CC1 72305648 JGHZNRZWHFLMHP-JOCHJYFZSA-N 418.497 3.376 0 40 HGAB CCOc1ccc(NC(=O)C[C@H]2SC3=NCN(c4ccccc4)CN3C2=O)cc1 72332999 SEFDRERGGLQIQD-GOSISDBHSA-N 410.499 3.149 0 40 HGAB Cc1nc2ccccc2n1CC(=O)N1CC=C(n2c(C)nc(=O)c3ccccc32)CC1 72348202 IUXRQECMDFEVKT-UHFFFAOYSA-N 413.481 3.136 0 40 HGAB O=C(CN1CCOCC1)N1CCC(c2cccc(Cc3ccc(Cl)cc3)n2)CC1 72349719 BLERRNOAHYPTLO-UHFFFAOYSA-N 413.949 3.364 0 40 HGAB COc1ccc(OC)c(CN2CCNC(=O)[C@@H]2Cc2cccc(-c3ccncc3)c2)c1 72351657 MXCONAMRUHUOCU-QHCPKHFHSA-N 417.509 3.309 0 40 HGAB COc1ccc(CN2CCC[C@H]2c2nc(N)ncc2-c2cccc(C(N)=O)c2)cc1 72354593 BVSHIYJDSYSQQL-FQEVSTJZSA-N 403.486 3.170 0 40 HGAB Nc1ncc(-c2cccc(F)c2)c([C@@H]2CCCCN2CC(=O)Nc2nccs2)n1 72376867 WFGUHNFPMZVSEJ-INIZCTEOSA-N 412.494 3.487 0 40 HGAB C[C@H]1CCCN(C(=O)c2csc(-c3cnn(C)c3)n2)[C@H]1CNC(=O)OC(C)(C)C 78992213 XJUZXZPWXCEBQE-BBRMVZONSA-N 419.551 3.309 0 40 HGAB O=C(NCc1cccc(Cl)c1)c1cccc(N2NC(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 84367778 VBPCUARSTJADDL-RTBURBONSA-N 409.873 3.230 0 40 HGAB C[C@@]1(c2ccccn2)NC(=O)N(Cc2ccc(C(=O)Nc3ccccc3)cc2)C1=O 84668148 UHBQHZVPLGBMIH-QHCPKHFHSA-N 400.438 3.301 0 40 HGAB O=C1c2ccccc2N2C(=O)CC[C@@]2(C(=O)N[C@H]2C=CCCC2)N1Cc1ccccc1 95939830 PLVGSXPZQYZQOR-UQBPGWFLSA-N 415.493 3.391 0 40 HGAB COCCn1c(C)cc(C(=O)COC(=O)c2cc(N(C)C)nc3ccccc23)c1C 95942936 WEEADKQGKXVFEW-UHFFFAOYSA-N 409.486 3.405 0 40 HGAB COc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc5ccccc45)C(=O)[C@@H]3N3CCCN23)cc1 101264327 FNIWUJASFHKNMA-DNVJHFABSA-N 413.477 3.384 0 40 HGAB COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)c(F)c4)C(=O)[C@@H]3N3CCCN23)cc1 102689648 HWWGJZVERBDGHY-GUDVDZBRSA-N 415.852 3.023 0 40 HGAB COc1ccc([C@H](C)NC(=O)[C@H](C)N(c2ccc(F)c(F)c2)S(C)(=O)=O)cc1 113956660 BFZMCNRFFQGLAX-STQMWFEESA-N 412.458 3.005 0 40 HGAB O=S(=O)(N[C@H]1CCN(c2ccc(C(F)(F)F)cn2)C1)c1ccc(F)c(Cl)c1 206791165 NIOVIELODGWYCI-NSHDSACASA-N 423.819 3.450 0 40 HGAB CCOC(=O)[C@]1(N)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1cccc(Cl)c1 218529437 FFXNCYLNVYVEDP-XYJFISCASA-N 414.310 3.194 0 40 HGAB COc1ccc(-c2noc(CNC(=O)[C@@H](C)Oc3ccccc3Cl)n2)c(OC)c1 219062290 ARKZETQEWLLOEB-GFCCVEGCSA-N 417.849 3.491 0 40 HGAB CC[C@H](C(=O)N[C@H](C)CCc1ccccc1)N(c1cccc(OC)c1)S(C)(=O)=O 220624146 PDZBRKTXKFJUQP-DYESRHJHSA-N 418.559 3.377 0 40 HGAB CCn1c(=O)oc2cc(S(=O)(=O)N3CCc4cc(Br)ccc43)ccc21 223031508 QYIAOUMVRWSALR-UHFFFAOYSA-N 423.288 3.128 0 40 HGAB CCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CCc1ccc(OC)c(OC)c1 223629463 QZNCHRQSINMJIP-SFHVURJKSA-N 412.530 3.498 0 40 HGAB Cn1c(=O)sc2cc(S(=O)(=O)NCCOc3ccccc3C(C)(C)C)ccc21 223742178 CPUGPCQSFPJRIN-UHFFFAOYSA-N 420.556 3.255 0 40 HGAB C[C@H](O)c1c(-c2ccc(F)cc2)noc1C(=O)N1CCN(Cc2ccccc2)CC1 225434344 HNWOPHPRDAAWAR-INIZCTEOSA-N 409.461 3.492 0 40 HGAB biogenic,in-vitro O=C(O)c1nn(-c2ccccc2Cl)nc1N1CCN(c2ccccc2F)CC1 256048190 RGQRZFGGEYJRFP-UHFFFAOYSA-N 401.829 3.085 0 40 HGAB C[C@]12C[C@@H](c3cccc(C(F)(F)F)c3)N(C(=O)Cn3cccn3)[C@H]1CCCC(=O)N2 257303559 SHRVPEYLJDBLBU-ZWOKBUDYSA-N 420.435 3.303 0 40 HGAB C[C@]1(O)CCN(CC(=O)Nc2ccccc2OC(F)F)C[C@@H]1Oc1cccc(F)c1 257319702 VTRDYZZIHKZCPW-RXVVDRJESA-N 424.419 3.270 0 40 HGAB CCOc1ccc(S(=O)(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1C 408594273 OGIYJPWUTDHXQG-JXMROGBWSA-N 400.544 3.413 0 40 HGAB COc1ccc(NC(=O)C2=C(C)N=C3N=CNN3[C@@H]2c2ccc(C)s2)c(OC)c1 408628468 XXQZRIUYMPHGRC-GOSISDBHSA-N 411.487 3.246 0 40 HGAB COc1cc(OC)c(/C=C2\SC(=O)N(CC(=O)NCC(C)C)C2=O)cc1Cl 409203881 ZNSPDKQQGVOPRK-UUASQNMZSA-N 412.895 3.166 0 40 HGAB CCCCNC(=O)COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1Cl 409390084 JCJCSTWDLONKLH-UHFFFAOYSA-N 422.934 3.387 0 40 HGAB COc1cc(F)c(S(=O)(=O)Nc2c(C)cccc2C(=O)N2CCCC2)cc1OC 508335109 YOXMWTYCTBKIDH-UHFFFAOYSA-N 422.478 3.188 0 40 HGAB Cc1cc(C)n2nc(C)c(C(=O)N3CCN(c4cc(C(F)(F)F)ccn4)CC3)c2n1 549327056 HHSXDNYAOZGYNC-UHFFFAOYSA-N 418.423 3.031 0 40 HGAB OC1(CN2CCOC[C@](O)(COc3ccc(F)c(Cl)c3)C2)CCCCCC1 585284657 YZUZBVUHRSKNJG-FQEVSTJZSA-N 401.906 3.007 0 40 HGAB COc1ccc(CN2CC(=O)NCCCCCOc3cc(C(=O)O)ccc3C2)cc1 643574760 OWKLKAGWYYCXHA-UHFFFAOYSA-N 412.486 3.075 0 40 HGAB O=C(c1noc2c1CCCC2)N1CC[C@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@H]21 1889139472 IFLPXSWNRUWYQA-SWLSCSKDSA-N 406.408 3.318 0 40 HGAB Cc1ccc(S(=O)(=O)Nc2ccccc2F)cc1C(=O)/N=c1/sccn1C 29649964 CEFNTZBBEDCTOI-CZIZESTLSA-N 405.476 3.076 0 40 HGAB CC(C)(C)NS(=O)(=O)c1ccc(CCC(=O)Nc2ccc3c(c2)OCO3)cc1 810351 GTZDRXBBMNTDMZ-UHFFFAOYSA-N 404.488 3.063 0 40 HGAB Cc1cccc2cc(CN(Cc3cccnc3)C(=S)NC[C@H]3CCCO3)c(=O)[nH]c12 1224289 JHTQGPUSKUNTNE-HXUWFJFHSA-N 422.554 3.287 0 40 HGAB COc1ccc(CNC(=O)CN(C(=O)c2csnn2)c2c(C)cccc2C)cc1 1346505 XWUIHNHYPRBQCW-UHFFFAOYSA-N 410.499 3.127 0 40 HGAB C[C@H](OC(=O)c1cc(Cl)c2c(c1)OCCO2)C(=O)Nc1ccc2c(c1)OCCO2 21498886 AGGJAFVSCUDYKK-NSHDSACASA-N 419.817 3.066 0 40 HGAB C[C@@H](Sc1nnc(-c2ccccc2Cl)n1N)C(=O)Nc1ccc(Cl)cn1 4524078 HOCWXSQRJFVPKQ-SECBINFHSA-N 409.302 3.480 0 40 HGAB Cc1ccc(NC(=O)Cc2nnc(SCC(=O)N[C@@H](C)c3ccccc3)n2C)cc1 4777237 FCYWRLQAOZEIOD-INIZCTEOSA-N 423.542 3.274 0 40 HGAB C[C@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)N(C)Cc1ccccc1 6762999 OYEWYNLZLVEAIO-LBPRGKRZSA-N 401.315 3.319 0 40 HGAB CSCC[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)N1CCC(C)CC1 6863376 JFRMTWDJDPDDRZ-HXUWFJFHSA-N 420.600 3.498 0 40 HGAB CN(C)CCCNC(=O)c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1 10111423 QTLOBOGUTOSBAB-HSZRJFAPSA-N 411.571 3.185 0 40 HGAB Cc1ccc(Cl)cc1N([C@@H](C)C(=O)N1CCc2ccccc2C1)S(C)(=O)=O 10544353 SKSUSBYUJHMRRW-HNNXBMFYSA-N 406.935 3.388 0 40 HGAB CC(C)NC(=O)c1ccccc1NC(=O)CCCN(c1ccccc1)S(C)(=O)=O 8481009 LADRXWQIZVIZRD-UHFFFAOYSA-N 417.531 3.010 0 40 HGAB CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C 47163886 DPEDYHRHIVIZIW-UHFFFAOYSA-N 414.314 3.005 0 40 HGAB CN(C)S(=O)(=O)c1ccccc1CNC(=O)CCSc1ccc(F)c(F)c1 22601138 DXYCMWQRIGEYOF-UHFFFAOYSA-N 414.499 3.014 0 40 HGAB COc1ccc(CN(C)S(=O)(=O)c2ccccc2OC(F)(F)F)c(OC)c1 23395288 XRJOSKLKFGVCNX-UHFFFAOYSA-N 405.394 3.423 0 40 HGAB CN(C)[C@H](CNC(=O)Nc1ccc(-n2cncn2)cc1C(F)(F)F)c1ccco1 47673504 PIRVOWUKQPCKGT-OAHLLOKOSA-N 408.384 3.304 0 40 HGAB Cc1ccc(NC(=O)[C@H](C)N2CCN(c3nccs3)CC2)c(Br)c1 54635396 LJNZSDUQZAILES-ZDUSSCGKSA-N 409.353 3.363 0 40 HGAB COC(=O)c1cc(OC)c(OC)cc1NS(=O)(=O)c1ccccc1C(F)(F)F 12557019 OEYDDFUASBFLQJ-UHFFFAOYSA-N 419.377 3.310 0 40 HGAB COc1ccc(CCNC(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)cc1OC 3212910 YJVKOFLUBFQEDK-VQHVLOKHSA-N 401.459 3.102 0 40 HGAB Cc1ccc(-n2c(=O)c3sccc3n(CC(=O)N3CCCC[C@H]3C)c2=O)c(C)c1 57492945 ZGEYJTGERVUOQY-MRXNPFEDSA-N 411.527 3.232 0 40 HGAB CCCCN(C)C(=O)Cn1c(=O)n(Cc2ccc(C)c(C)c2)c(=O)c2sccc21 57426976 IEQLAPRLNKRVNT-UHFFFAOYSA-N 413.543 3.148 0 40 HGAB COc1ccccc1/C=C/C=c1/sc2nc(=O)c(Cc3ccccc3)c(C)n2c1=O 27023083 LDUMFJFGPGSIRA-VOBGMVAUSA-N 416.502 3.237 0 40 HGAB CCCOc1ccc(N(CC(=O)N[C@@H](C)CCc2ccccc2)S(C)(=O)=O)cc1 22400039 PYZRSLAKIFBQNL-SFHVURJKSA-N 418.559 3.379 0 40 HGAB O=c1cccc2n1C[C@H]1C[C@H]2CN([C@@H](c2ccccc2)c2nnnn2-c2ccccc2)C1 104703890 MTAIYTIOQSSQHB-WXVUKLJWSA-N 424.508 3.033 0 40 HGAB biogenic Cc1ccccc1NS(=O)(=O)c1ccc(OCC(=O)N2CCC(C)CC2)cc1 107836055 QTAWTLGJYLFNJH-UHFFFAOYSA-N 402.516 3.433 0 40 HGAB CCOc1ccc(NC(=O)CN2CCc3cc(OC)c(OC)cc3C2)cc1OCC 2217498 QQWRILCWLLNVMQ-UHFFFAOYSA-N 414.502 3.498 0 40 HGAB biogenic CCS(=O)(=O)c1ccccc1C(=O)NCc1ccc(OCc2cccnc2)cc1 58953531 NVZUWIQEZCFRCE-UHFFFAOYSA-N 410.495 3.384 0 40 HGAB O=C(CSc1nnc(C2CC2)[nH]1)Nc1ccccc1C(=O)NCc1ccccc1 11474186 IRPXVAXXYNKXOA-UHFFFAOYSA-N 407.499 3.343 0 40 HGAB COC(=O)C[C@H](c1cc(OC)c2c(c1)OCCO2)c1c(O)n[nH]c1Cc1ccccc1 96115593 KSMPWRSVPKJHQJ-MRXNPFEDSA-N 424.453 3.181 0 40 HGAB biogenic CCN(CC(=O)NCc1cccs1)S(=O)(=O)c1cccc(C(F)(F)F)c1 3438126 XMNJQDMCNKMBBH-UHFFFAOYSA-N 406.451 3.094 0 40 HGAB C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)NC(c1ccccc1)c1ccccc1)C2=O 3595907 WINBRVFGAIVQSL-OSPHWJPCSA-N 405.498 3.393 0 40 HGAB CCCc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)sc1C 12906705 HBQITWKZBRMFDY-UHFFFAOYSA-N 406.573 3.464 0 40 HGAB COc1cc(OC)cc(C(=O)NC(=S)Nc2cccc(NC(=O)C(C)C)c2)c1 408626813 IPNHCJOFCXXJFZ-UHFFFAOYSA-N 401.488 3.425 0 40 HGAB CCOc1ccc(OC[C@H](O)Cn2cnc3sc4c(c3c2=O)CCCC4)cc1 12974914 LFHZQDUVBFKCKV-CQSZACIVSA-N 400.500 3.175 0 40 HGAB CN(Cc1ccco1)C(=O)CN1C(=O)N[C@@](C)(c2ccc(Cl)c(Cl)c2)C1=O 8526857 GPDSAANCYHTBBF-SFHVURJKSA-N 410.257 3.012 0 40 HGAB CC(C)COC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OCC(C)C)[C@H]1c1ccccc1 13582672 BRGRVHJIWQXPQK-SRYPRDQNSA-N 404.503 3.125 0 40 HGAB COc1ccc(-c2nnc(S[C@@H](C)C(=O)NC(=O)NC3CCCCC3)o2)cc1 4288462 RJNYAXOIJKULKN-LBPRGKRZSA-N 404.492 3.384 0 40 HGAB CCCCNC(=O)COc1ccc(N(Cc2ccccc2F)S(C)(=O)=O)cc1 22233379 RSDNLGOSBKKZBP-UHFFFAOYSA-N 408.495 3.087 0 40 HGAB Cc1ccc(S(C)(=O)=O)cc1NS(=O)(=O)c1cc(Br)ccc1C 14867750 LCQGLTMEVMVYOB-UHFFFAOYSA-N 418.334 3.270 0 40 HGAB C[C@H](OC(=O)c1cc2c(s1)CC[C@@H](C)C2)C(=O)NCc1ccc2c(c1)OCO2 5773228 CFMYNDXWRAXPQR-OLZOCXBDSA-N 401.484 3.463 0 40 HGAB COCc1nnc(NC(=O)c2cn(-c3ccc(OC)cc3)c(=O)c3ccccc23)s1 71284858 MSMLDSWYJKEBDV-UHFFFAOYSA-N 422.466 3.250 0 40 HGAB CCOc1ccc2nc(NC(=O)CSCC(=O)Nc3cc(C)on3)sc2c1 7768350 NNGDNAHHEDXURU-UHFFFAOYSA-N 406.489 3.302 0 40 HGAB O=C(CN1C(=O)NC2(CCCCC2)C1=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 7738557 GTQYQMDJTBNHDL-UHFFFAOYSA-N 417.469 3.423 0 40 HGAB CC/C(Nc1cccc(C(=O)O)c1)=C1/C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O 9108786 NDRGTCKGBIKGFY-FOCLMDBBSA-N 413.817 3.397 0 40 HGAB O=S1(=O)c2ccc(-c3cccnc3)cc2[C@@H]2CN(Cc3ccc4c(c3)OCO4)C[C@H]21 306136227 PNNBQELDCGKANH-WMZHIEFXSA-N 420.490 3.233 0 40 HGAB CCCNC(=O)[C@@H]1CN(S(=O)(=O)c2ccc3ccccc3c2)c2ccccc2O1 8167516 HDKXKGRCPJLGTR-NRFANRHFSA-N 410.495 3.322 0 40 HGAB CCc1cccc2c(C(=O)CN3C(=O)N[C@]4(CCOc5ccccc54)C3=O)c[nH]c12 8133149 YUJMWDHLGIVSDN-QHCPKHFHSA-N 403.438 3.143 0 40 HGAB CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)NCCOc1ccccc1)C2=O 8313056 JQSZEIOZQZLXQK-UHFFFAOYSA-N 415.534 3.099 0 40 HGAB O=S(=O)(Nc1ccc(I)cc1)c1ccc2c(c1)CCN2 20478144 GVMIGLBQOJDLEH-UHFFFAOYSA-N 400.241 3.060 0 40 HGAB CSCC[C@@H]1NC(=O)N(Cc2ncc(-c3ccccc3Br)o2)C1=O 78904241 HYYZGEPSVWVWLZ-LBPRGKRZSA-N 410.293 3.278 0 40 HGAB C[C@H](Nc1ccc(C(=O)O)cc1S(=O)(=O)NC[C@H]1CCCO1)c1ccccc1 217499554 ITSHCVYAQTWCPG-WMLDXEAASA-N 404.488 3.015 0 40 HGAB COc1cc(OC)cc(OCC(=O)N(C)Cc2nc(-c3ccccc3Cl)no2)c1 218900947 CVYUIVXXFMZEMP-UHFFFAOYSA-N 417.849 3.445 0 40 HGAB COc1ccc(NC(=O)Cn2nnc(C(=O)Nc3cccc(C)c3C)c2C)c(OC)c1 71327043 YGJKQEFKIQLJEE-UHFFFAOYSA-N 423.473 3.112 0 40 HGAB CN(CC(=O)NCCSC1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1 219693420 IAYIRFUUVXXTIJ-UHFFFAOYSA-N 404.985 3.143 0 40 HGAB O=C(NCCC(=O)N1CCN(c2ccc(F)cc2)CC1)c1cccc2ccccc12 40119672 ZGCQMUSXILBQSD-UHFFFAOYSA-N 405.473 3.448 0 40 HGAB COc1ccc(OC)c(N2CCN(CC(=O)Nc3ccc4ncccc4c3)C2=O)c1 49403230 LUEFSLGGWKDKLN-UHFFFAOYSA-N 406.442 3.133 0 40 HGAB CCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)COc1ccc(OC)cc1 222887084 WOFMLZLQTXIVSD-OAHLLOKOSA-N 404.894 3.281 0 40 HGAB Cc1c(C(=O)N2CC(n3cc(COc4ccccc4)nn3)C2)cnn1-c1ccccc1 225627815 JDDFJSYLAFJXPJ-UHFFFAOYSA-N 414.469 3.048 0 40 HGAB Cc1ccsc1[C@H]1[C@H](c2ccccn2)NC(=S)N1CCCN1CCOCC1 223168079 ZJWCHUVMAFWNGV-ZWKOTPCHSA-N 402.589 3.146 0 40 HGAB CN(c1ccc(Cl)c(C(=O)Nc2ccc(N3CCCC3=O)cc2)c1)S(C)(=O)=O 222504349 YYWDXEDFKZBWPM-UHFFFAOYSA-N 421.906 3.115 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCCc3ccc(F)cc3)CC2)cc1 225480055 ZOJXRPRHIDMMGF-UHFFFAOYSA-N 418.534 3.284 0 40 HGAB COc1cc2c(cc1S(=O)(=O)NCc1cc(OC)c(OC)c(OC)c1)CCCC2 225491572 SSJQHUJBKDEPFB-UHFFFAOYSA-N 421.515 3.078 0 40 HGAB CCc1ccc(O[C@@H](CC)C(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)cc1 222890808 PXQSONHPJYYTNC-NRFANRHFSA-N 416.543 3.246 0 40 HGAB CCSc1nnc(NC(=O)[C@H](CC)N(c2ccc(C)cc2)S(C)(=O)=O)s1 222648092 ZIFHSUSLKBVQEF-ZDUSSCGKSA-N 414.578 3.142 0 40 HGAB COC(=O)c1cn(C(=O)CN(c2ccc(C)c(C)c2)S(C)(=O)=O)c2ccccc12 222580883 CJBGDFNZYJCELX-UHFFFAOYSA-N 414.483 3.151 0 40 HGAB CC(C)(C)c1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)NCC1=CCCCC1)O2 224489353 YXLKEDRYSJUMCY-IBGZPJMESA-N 406.548 3.128 0 40 HGAB O=C(CCc1ccc(S(=O)(=O)NC2CC2)cc1)Nc1ccc2sncc2c1 222897176 HYRZYGAGTIWBBG-UHFFFAOYSA-N 401.513 3.308 0 40 HGAB CNC(=O)c1cccc(CSc2nnc(-c3ccccc3Br)n2N)c1 97571701 RGZPRDNKEOMULC-UHFFFAOYSA-N 418.320 3.073 0 40 HGAB COc1ccccc1CNC(=O)[C@@H]1C[C@H]2CC[C@H]1C[C@]21NC(=O)c2ccccc2O1 248116663 BOIGXBXCILJVCI-YPXCTIMRSA-N 406.482 3.266 0 40 HGAB COCCN1C(=O)C[C@@H](CNC(=O)c2cc(C)sc2C)[C@@H]1c1cnn(C(C)C)c1 583622182 VUWFTZMXLXBKNC-OXJNMPFZSA-N 418.563 3.108 0 40 HGAB COc1cccc(OC)c1CN1CCC(c2cncc(Nc3ncccn3)n2)CC1 257284847 PENWMFAPSIFFJD-UHFFFAOYSA-N 406.490 3.407 0 40 HGAB CCS(=O)(=O)NC1CC2(CCN(Cc3ccc(OCC(F)F)cc3)CC2)C1 585103192 MPEDCMPNPLNTLD-UHFFFAOYSA-N 402.507 3.014 0 40 HGAB O=C(Cc1cn[nH]c1)NC1CC2(CCN(Cc3ccc(OCC(F)F)cc3)CC2)C1 585102728 CAEYGGJQEVDQTJ-UHFFFAOYSA-N 418.488 3.157 0 40 HGAB CC[S@@](=O)[C@H]1CCCC[C@@H]1NC(=O)Nc1ccc(N2CCCC2=O)c(OC)c1 79051591 QPIVHZKZXYGHAS-YIQPMRTKSA-N 407.536 3.023 0 40 HGAB CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CC=C4C[C@@H](OS(=O)(=O)O)CC[C@]4(C)[C@H]3CC[C@@]21C 5167248 OMOKWYAQVYBHMG-TVWVXWENSA-N 412.548 3.457 0 40 HGAB endogenous,world CCCOc1nc2ccccc2nc1NS(=O)(=O)c1ccc(NC(C)=O)cc1 5451573 YMIRXWPLSUVSQH-UHFFFAOYSA-N 400.460 3.178 0 40 HGAB O=C(Cc1c(F)cccc1Cl)N1CCC[C@@H]1Cn1nnc(-c2cccs2)n1 12084973 DEIKHXUESIMSQY-GFCCVEGCSA-N 405.886 3.428 0 40 HGAB COc1ccc(S(=O)(=O)CC(=O)N2CCC[C@H](c3cc4ccccc4cn3)C2)cc1 12188263 SAWGFFBBMPEBHD-IBGZPJMESA-N 424.522 3.423 0 40 HGAB Cc1ccc(NC(=O)CS[C@H](C)C(=O)OCc2nc3ccsc3c(=O)[nH]2)cc1 13021010 OSODSIKWJHLTIO-GFCCVEGCSA-N 417.512 3.097 0 40 HGAB CCN(c1ccc(C(=O)Nc2ccccc2C(=O)NCC(C)C)cc1)S(C)(=O)=O 13678740 CWWWBKAYTDTOOS-UHFFFAOYSA-N 417.531 3.111 0 40 HGAB COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)Nc2cccc3ccccc23)c1 16188406 JJJVSELOOMBDCO-UHFFFAOYSA-N 414.483 3.116 0 40 HGAB C[C@H](NC(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(F)cc1 16962461 WKIXXZIIYXHERW-INIZCTEOSA-N 404.507 3.420 0 40 HGAB Cc1ccc(C(=O)N(C[C@H]2CCCO2)c2nc3c(s2)CCc2c-3cnn2C)cn1 19214775 ZDCNDFCAVDUEKQ-OAHLLOKOSA-N 409.515 3.171 0 40 HGAB O=C(c1cc([C@@H]2CCCN(Cc3ccccc3Cl)C2)no1)N1CCC(O)CC1 19349009 VINWMFBXDFEUCH-MRXNPFEDSA-N 403.910 3.305 0 40 HGAB CC1(C)[C@@H]2CC[C@@]1(C)C(=O)N(CCCCN1CCN(Cc3ccccc3)CC1)C2=O 19367298 XTGMLDFXCZWGIX-BWKNWUBXSA-N 411.590 3.396 0 40 HGAB COc1ccc(CNC(=O)c2cc([C@@H]3CCCN(Cc4cccnc4)C3)no2)cc1 19555857 RDXIYCLXKYEEDO-LJQANCHMSA-N 406.486 3.388 0 40 HGAB CCn1c(=O)oc2cc(S(=O)(=O)N3CCC(Cc4ccccc4)CC3)ccc21 19936817 SHUDNFGERSLJHQ-UHFFFAOYSA-N 400.500 3.258 0 40 HGAB O=C(N[C@@H]1CCN(c2ccc(C(F)(F)F)cn2)C1)c1ccc(Br)o1 206788508 ZUZUMQMRKAIHPK-SNVBAGLBSA-N 404.186 3.465 0 40 HGAB COc1cc2c(cc1OC)[C@@H](CC(=O)O)N(C(=O)c1cccc3cccnc13)CC2 621539205 BRAGLBKOSYKYPC-GOSISDBHSA-N 406.438 3.466 0 40 HGAB C[C@H]1CCCC[C@@H]1NC(=O)C1CCC(Cn2c(=O)[nH]c3ccsc3c2=O)CC1 6732955 HAKNQFRIVVXCPC-LBDPXKHJSA-N 403.548 3.253 0 40 HGAB COc1ccc(CN2C[C@@H]3CCCN3C[C@@H]2CCSC)cc1Cn1cccn1 19559455 XKLJIONLFSTDQT-SFTDATJTSA-N 400.592 3.342 0 40 HGAB O=C(NCC(c1ccco1)c1ccco1)c1ccc(S(=O)(=O)N2CCCC2)cc1 1889019157 HAJGXKCQFFQDSB-UHFFFAOYSA-N 414.483 3.219 0 40 HGAB COc1cccc(N2CCN(C(=O)c3cc(OC)c4cc(OC)ccc4n3)CC2)c1 1848524685 BRRBMKSEGVREKY-UHFFFAOYSA-N 407.470 3.223 0 40 HGAB CCOC(=O)c1ccc(CNC(=O)c2ccc(S(=O)(=O)c3ccccc3)cc2)o1 974340 DCGDWQCXFGHSHI-UHFFFAOYSA-N 413.451 3.219 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3cccs3)o2)cc1 2456888 FUBNAKLXSVUHDO-UHFFFAOYSA-N 406.489 3.081 0 40 HGAB CC1CCN(C(=O)Cn2c(=O)n(-c3ccccc3)c(=O)c3oc4ccccc4c32)CC1 4358979 ZZUKXHDMMOZTQI-UHFFFAOYSA-N 417.465 3.157 0 40 HGAB COc1ccccc1C(=O)Nc1c2c(nn1-c1ccc(Cl)cc1)CS(=O)(=O)C2 9391536 CHSDGKGYDAPLDA-UHFFFAOYSA-N 417.874 3.215 0 40 HGAB Cc1ccccc1OCC(=O)Nc1cc(C2CC2)nn1-c1nc2c(c(=O)[nH]1)CCCC2 12130538 RXNVUCBCBTVVDW-UHFFFAOYSA-N 419.485 3.038 0 40 HGAB COc1ccccc1CCNC(=O)CSc1ccc(-c2ccc3c(c2)OCO3)nn1 12140499 JZOLPHKPYCEEJT-UHFFFAOYSA-N 423.494 3.332 0 40 HGAB CCCc1cc(=O)[nH]c(-n2nc(C3CC3)cc2NC(=O)CCc2ccc(OC)cc2)n1 12125734 FTFRHFBJNNDWBX-UHFFFAOYSA-N 421.501 3.365 0 40 HGAB Cc1cccc(CC(=O)N2CCN(c3ccc(-c4ccc5c(c4)OCO5)nn3)CC2)c1 13658971 UKGUWZQTUGWZED-UHFFFAOYSA-N 416.481 3.072 0 40 HGAB O=C1C[C@H](N2CCN(c3ccc(O)cc3)CC2)C(=O)N1c1cc(Cl)cc(Cl)c1 100129910 WAIPPTPFBHFFPL-SFHVURJKSA-N 420.296 3.153 0 40 HGAB CS(=O)(=O)c1cccc(-c2nnc(NC(=O)c3cccc(Br)c3)o2)c1 9346697 BGHMXPVYNJNSMI-UHFFFAOYSA-N 422.260 3.155 0 40 HGAB CCCc1cc(=O)oc2c(C)c(O[C@@H](C)C(=O)N[C@H](CC(C)C)C(=O)O)ccc12 6636459 YNEXZIKRUMLSIL-WMLDXEAASA-N 403.475 3.437 0 40 HGAB biogenic COC(=O)Cn1/c(=N/C(=O)c2cc3ccccc3oc2=O)sc2c(C)cc(C)cc21 100910651 DDKVJCQVWLHUCU-FCQUAONHSA-N 422.462 3.340 0 40 HGAB Cc1ccn2c(=O)c(C(=O)NCc3ccccc3CN3CCCC[C@@H]3C)cnc2c1 40112385 MTMVIXWUJMOLRX-SFHVURJKSA-N 404.514 3.307 0 40 HGAB O=C1c2oc3ccccc3c(=O)c2[C@@H](c2ccc(F)cc2)N1CCCN1CCOCC1 20219625 CYDYYGALNNNRAW-OAQYLSRUSA-N 422.456 3.200 0 40 HGAB CC(C)(C)c1nc2cc(NS(=O)(=O)c3ccc4c(c3)NC(=O)CO4)ccc2o1 32097518 IOBNCWKZKAHGGU-UHFFFAOYSA-N 401.444 3.257 0 40 HGAB COc1c2c(c(NC(=O)c3ccc(-n4cccc4)cc3)c3c1OCO3)CCN(C)C2 32123806 DLGZNBWNESHFDH-UHFFFAOYSA-N 405.454 3.455 0 40 HGAB biogenic Cc1cc(=O)oc2cc(OCc3noc(C(=O)NCc4ccc(F)cc4)n3)ccc12 20737211 YRQILXDDFQNUSI-UHFFFAOYSA-N 409.373 3.133 0 40 HGAB CCOC(=O)c1c(C)oc2nc(CN(C)CCOc3ccc(Cl)cc3)nc(N)c12 8315762 LPSDFQILJWTRMR-UHFFFAOYSA-N 418.881 3.454 0 40 HGAB Cc1ccccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccc(OC(C)C)cc2)C1 800581 PEZCHLARWCYHQL-QGZVFWFLSA-N 410.470 3.317 0 40 HGAB O=C(c1ccc(F)cc1)N(Cc1ccc(Br)o1)[C@@H]1CCS(=O)(=O)C1 11914021 DAEZGSPPZJWYMF-CYBMUJFWSA-N 416.268 3.011 0 40 HGAB C[C@@H]1Oc2ccccc2N(CC(=O)Nc2c3c(nn2-c2ccccc2)CCC3)C1=O 32869049 ZKXKKRPJLBGFLP-HNNXBMFYSA-N 402.454 3.114 0 40 HGAB O=C(COc1ccc(S(=O)(=O)N2CCCCC2)cc1)NCc1ccccc1Cl 6322912 XLHCPQBITMPZGV-UHFFFAOYSA-N 422.934 3.210 0 40 HGAB CCOC(=O)c1c(NC(=O)COC(=O)c2ccccc2N)sc2c1CCCC2 6630329 YAGSQXKCTDHNGP-UHFFFAOYSA-N 402.472 3.181 0 40 HGAB COc1ccc(CN(C)C(=O)[C@H](C)N(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1 7871835 AWYNOPKUSWLRGH-KRWDZBQOSA-N 404.532 3.125 0 40 HGAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)OC(=O)CCC1CCCCC1 7982536 OWPSGWHIWSCRAU-INIZCTEOSA-N 424.563 3.476 0 40 HGAB O=C(NCc1ccccc1Cn1cccn1)[C@H]1CCCCN1C(=O)c1cccs1 32908423 XIGBWGIZJIDOHD-LJQANCHMSA-N 408.527 3.304 0 40 HGAB CCCC[C@H](C(=O)OCC(=O)Nc1cccc(C)c1)N1C(=O)c2ccccc2C1=O 8411262 LMULEFFCZIVPPG-LJQANCHMSA-N 408.454 3.332 0 40 HGAB COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=C3SCCC(=O)N32)cc1OC 798932 WMWLPURSDFYWTQ-GOSISDBHSA-N 404.488 3.306 0 40 HGAB O=C(CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)NCCC1=CCCCC1 22651853 NTHVEYJAZQJHOO-UHFFFAOYSA-N 420.453 3.260 0 40 HGAB Cn1c(=O)[nH]c(=O)c2c1nc(SCCc1ccccc1)n2CCc1ccccc1 827959 LEBUHJIWJUPDFX-UHFFFAOYSA-N 406.511 3.001 0 40 HGAB CC1(C)C[C@@H](NC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)c2ccccc2O1 22363245 MBIVGSSJSHZPQW-QGZVFWFLSA-N 406.479 3.010 0 40 HGAB CC(C)[C@@H](c1nnnn1Cc1ccco1)N1CCN(c2nc3ccccc3s2)CC1 57671164 LWJYUDLWECOAAM-IBGZPJMESA-N 423.546 3.443 0 40 HGAB O=C1c2ccccc2C(=O)N1CC(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 24441738 ABZCDZRBESATOZ-UHFFFAOYSA-N 402.372 3.493 0 40 HGAB CCOc1ccc2oc(=O)cc(CN3CCN(Cc4ccc5c(c4)OCO5)CC3)c2c1 20058777 UEVLJDHWJSVFAZ-UHFFFAOYSA-N 422.481 3.238 0 40 HGAB CCNS(=O)(=O)c1cccc(C(=O)N(Cc2ccco2)Cc2cccs2)c1 24459765 MOWFNJIPVULWKA-UHFFFAOYSA-N 404.513 3.482 0 40 HGAB COc1ccc(S(=O)(=O)N(CC(=O)N(C)C2CCCC2)c2ccccc2)cc1 20486633 QBEKNTUPTWGJRA-UHFFFAOYSA-N 402.516 3.292 0 40 HGAB CSc1cccc(N2C[C@@H](C(=O)N(C)C[C@H]3COc4ccccc4O3)CC2=O)c1 24654728 CPEPCBHCLOGLOK-RDJZCZTQSA-N 412.511 3.060 0 40 HGAB C[C@@H]1CC(=O)N(c2cccc(C(=O)N3CCCC[C@H]3CN3CCCCCC3)c2)C1=O 100731265 JAHWVVIIDSJTOM-NQIIRXRSSA-N 411.546 3.457 0 40 HGAB CC(C)(C)[C@@H]1CCc2c(sc3nnn(CC(=O)N4CCCCCC4)c(=O)c23)C1 1784930 SCWDVFNEWUAPCJ-CQSZACIVSA-N 402.564 3.407 0 40 HGAB COc1ccc(C2=NO[C@@H]3C(=O)N(c4ccc5ccccc5c4)C(=O)[C@H]23)cc1OC 101315225 FKCWRXQHFQSHKJ-CTNGQTDRSA-N 402.406 3.150 0 40 HGAB C[C@H](C(=O)NCc1ccc(F)cc1)S(=O)(=O)Cc1cccc(C(F)(F)F)c1 44639423 OEJUCHZEIICCIA-GFCCVEGCSA-N 403.397 3.464 0 40 HGAB COC(=O)c1ccc(CN2C(=O)N[C@@](C)(c3cccc(Br)c3)C2=O)cc1 3370040 SQLCHNGVICMTBF-IBGZPJMESA-N 417.259 3.203 0 40 HGAB O=C(CSc1nnc(N2CCCC2)n1C1CC1)Nc1ccc2c(c1)OC(F)(F)O2 11376961 USRGBZZHPHQXSD-UHFFFAOYSA-N 423.445 3.266 0 40 HGAB O=C(CN1CCN(C(=O)CCOc2ccccc2F)CC1)Nc1ccccc1Cl 12759009 NONFIKWABQDLDQ-UHFFFAOYSA-N 419.884 3.031 0 40 HGAB Cc1cccc(NC(=O)CN(C)C(=O)c2nn(-c3ccccc3F)c(C)cc2=O)c1C 12792721 IIGCXWSQJOZZCJ-UHFFFAOYSA-N 422.460 3.008 0 40 HGAB CNS(=O)(=O)c1ccc(-c2ccc(CNCCOc3ccc(OC)cc3)o2)cc1 12813547 GSUFVXXAMWUELT-UHFFFAOYSA-N 416.499 3.032 0 40 HGAB CN(CC(=O)Nc1ccccc1Oc1ccccc1)C1=NS(=O)(=O)c2ccccc21 12865207 UZGHCRPGDUCKAP-UHFFFAOYSA-N 421.478 3.498 0 40 HGAB COc1cc(/C=C/C(=O)OCC(=O)N[C@H](C)c2ccc(F)cc2)cc(OC)c1OC 3415288 RATCPCIBBRYNTC-AZWQULSGSA-N 417.433 3.285 0 40 HGAB CCOC(=O)c1c(C)[nH]c(C(=O)CN(C)CC(=O)Nc2c(C)cc(C)cc2C)c1C 13056732 JZGMTIDYHGJYOT-UHFFFAOYSA-N 413.518 3.487 0 40 HGAB CCCNC(=O)[C@H](CC(C)C)N1C(=O)N2CCc3c([nH]c4ccccc34)[C@@]2(C)C1=O 4083633 SXWGBHRNNAAWBT-MBSDFSHPSA-N 410.518 3.144 0 40 HGAB biogenic COCCn1cnc2c(-c3ccccc3)cn(CC(=O)Nc3ccc(F)cc3)c2c1=O 65113581 ZVIOREINSTUOFV-UHFFFAOYSA-N 420.444 3.289 0 40 HGAB COc1c(Cl)cc(Cl)cc1[C@H](c1nnnn1-c1ccccc1C)N(C)C=O 4322956 PTJYLVLHNWLNJE-MRXNPFEDSA-N 406.273 3.464 0 40 HGAB C[C@@H]1C[C@@H]1c1ccc(CN(C)C(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)o1 8750057 RSZGKKCQWAGIHC-BEFAXECRSA-N 402.516 3.460 0 40 HGAB CC(=O)[C@@H]1[C@H](c2cccc(OCc3ccccc3)c2)NC(=O)N[C@@]1(O)C(F)(F)F 26503494 CGDZKQMYIUEJMC-AOIWGVFYSA-N 408.376 3.076 0 40 HGAB Cc1nn2c(nc(NCCc3ccc(S(N)(=O)=O)cc3)c3ccccc32)c1Cl 14236641 APQQQFWHNMPQFX-UHFFFAOYSA-N 415.906 3.146 0 40 HGAB Nn1c(SCC(=O)N2CCCCCC2)nc2scc(-c3ccccc3)c2c1=O 4600878 LAQLOURFXOVNPO-UHFFFAOYSA-N 414.556 3.334 0 40 HGAB COC(=O)C[C@H](NC(=O)[C@H]1CC=CC[C@@H]1C(=O)O)c1ccc(Cl)c(Cl)c1 4674971 LXJVMBVOJTVUMM-HUBLWGQQSA-N 400.258 3.381 0 40 HGAB CCN(CC(=O)N[C@H](C)CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 9227409 KFBAPBFIDVRIGC-MRXNPFEDSA-N 408.951 3.488 0 40 HGAB C[C@H]1C[C@@H]1C(=O)N(CCC1=CCCCC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 14697661 YQDBXARTZOVDJF-LPHOPBHVSA-N 422.529 3.047 0 40 HGAB C[C@@H](OC(=O)C1CCN(C(=O)c2ccco2)CC1)C(=O)N[C@@H]1CCCc2ccccc21 19483095 KLSQZCDJAIKHFJ-OXQOHEQNSA-N 424.497 3.257 0 40 HGAB Cc1[nH]c2ccc(C(=O)OCC(=O)Nc3ccccc3C(=O)NC3CC3)cc2c1C 7986937 YAOCSMDHDONTNQ-UHFFFAOYSA-N 405.454 3.472 0 40 HGAB O=C(NCCc1ccc2c(c1)OCCO2)[C@H]1CC(=O)N(c2cccc3ccccc23)C1 8073019 VGYKERVTBIJXMU-IBGZPJMESA-N 416.477 3.323 0 40 HGAB CCOc1ccc(NC(=O)c2nnn(CC(=O)Nc3cccc(C)c3C)c2C)cc1 71327167 OPYVHFZEWMJARA-UHFFFAOYSA-N 407.474 3.493 0 40 HGAB O=C(Nc1cccc(-c2nnn[nH]2)c1)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 9453821 XIMDBXFPDNSIDP-HNNXBMFYSA-N 410.865 3.011 0 40 HGAB Cc1ncc(Cl)c(C(=O)N(C)CC(=O)Nc2ccc(Br)cc2C)n1 72292865 DEJIGGRLIKCTSS-UHFFFAOYSA-N 411.687 3.220 0 40 HGAB CC(C)(C)OC(=O)N[C@H]1CCCCCC[C@H]1C(=O)NCCc1nnc2ccccn12 79098530 ZAVDMSDWALSNEH-SJORKVTESA-N 415.538 3.252 0 40 HGAB CCn1ncc2c(C(=O)N[C@@H]3CCCCC[C@H]3C(N)=O)cc(-c3cccs3)nc21 79099458 BUSGVHSRYLQCIO-CZUORRHYSA-N 411.531 3.344 0 40 HGAB Cc1cc(C)cc(OCCN2C(=O)N[C@](C)(c3ccc4c(c3)OCCCO4)C2=O)c1 95369413 QSXBUTQDHMDFIM-HSZRJFAPSA-N 410.470 3.311 0 40 HGAB CCOC(=O)c1sc2ncnc(NCCCc3nnc4n3CCCC4)c2c1C 95450197 HKDIIASIAOAGEU-UHFFFAOYSA-N 400.508 3.149 0 40 HGAB Cc1ccc(OC[C@H](C)NC(=O)CN(c2c(C)cc(C)cc2C)S(C)(=O)=O)cc1 22425823 GYUOWOKOKBRJST-IBGZPJMESA-N 418.559 3.270 0 40 HGAB C[C@H](Sc1nnc(-c2cc3c(s2)CC[C@@H](C(C)(C)C)C3)n1C)C(=O)NC(N)=O 9944403 RGMPSLVHFMCZRO-CMPLNLGQSA-N 421.592 3.370 0 40 HGAB O=C(Nc1cccc(-c2nnn[nH]2)c1)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1 89780563 AGJLQPJZXBLUME-UHFFFAOYSA-N 416.363 3.265 0 40 HGAB COc1ccc(CCC(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)cc1OC 22513541 HJQGQBYSVWZSBU-QGZVFWFLSA-N 412.486 3.184 0 40 HGAB COC(=O)CSc1nc2ccc(NC(=O)[C@H]3[C@@H](C(=O)O)[C@H]4C=C[C@H]3C4)cc2s1 408750402 MKAACFCCUYTYSK-KTCLOZQLSA-N 418.496 3.023 0 40 HGAB Cc1cc(S(=O)(=O)NC[C@@H]2CCCO2)ccc1NC(=O)c1ccc(Cl)cc1 408622290 NEAAIGABPPAVSP-INIZCTEOSA-N 408.907 3.358 0 40 HGAB CCn1nnnc1NCc1cc(Br)c(OCc2cccnc2)c(OC)c1 22111475 QSOLRZMOOSQWKQ-UHFFFAOYSA-N 419.283 3.050 0 40 HGAB Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3ccc4c(c3)OCCO4)C2=O)c1 408933696 KEEHBNVVFBGLIK-WQRHYEAKSA-N 410.451 3.441 0 40 HGAB CC[C@H](C)[C@H](NC(=O)N1CCc2nc[nH]c2[C@@H]1c1cc(Cl)ccc1F)C(=O)OC 36569526 ADRAJSOYDBQBDU-PBQZTSCYSA-N 422.888 3.447 0 40 HGAB CC[C@H](C)NC(=O)[C@@H](CC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1 409001853 LDDYCXBMUYZOBN-FXAWDEMLSA-N 412.486 3.330 0 40 HGAB O=C(CC[C@@H]1NC(=O)c2ccccc2NC1=O)N[C@H]1CCCc2c1[nH]c1ccccc21 524734324 SYXZWPAMLQOXKR-PMACEKPBSA-N 416.481 3.192 0 40 HGAB Cc1ccc([C@@H]2CCCN2CC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)cc1 32754406 LVIXYRWBOCQZHQ-FQEVSTJZSA-N 401.532 3.021 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccnc(Nc3nccs3)n2)cc1 72377750 DBPGZACQUOSKDD-MRXNPFEDSA-N 417.516 3.211 0 40 HGAB CCN1c2ncccc2C(=O)NC12CCN(Cc1cc3c(cc1Cl)OCO3)CC2 36735049 JODSRYXBCIQARH-UHFFFAOYSA-N 414.893 3.026 0 40 HGAB COCCNC(=O)[C@@H]1Cc2cn(Cc3cccnc3)c3cccc(c23)[C@H](CC(C)C)N1 49171587 ADKISVLBQCRRBZ-VXKWHMMOSA-N 420.557 3.449 0 40 HGAB biogenic,in-vitro Cc1ccc(N(CC(=O)Nc2nnc(SC(C)C)s2)S(C)(=O)=O)c(C)c1 225468449 HZKGBTJSCSDMRP-UHFFFAOYSA-N 414.578 3.060 0 40 HGAB O=S(=O)(N[C@H](c1cccnc1)C1CCOCC1)c1ccc(OC(F)(F)F)cc1 225624588 ZIQGJNKWPBKUPF-KRWDZBQOSA-N 416.421 3.426 0 40 HGAB CCCS(=O)(=O)N1CCC(C(=O)N[C@H](C)c2cccc(C(F)(F)F)c2)CC1 49462052 HOBKNRGZHBLADT-CYBMUJFWSA-N 406.470 3.334 0 40 HGAB CC[C@@H](NC(=O)[C@@H](C)Oc1ccc(N(C)S(C)(=O)=O)cc1)c1ccccc1C 225534114 ZACAQTMKKDTCSU-OXQOHEQNSA-N 404.532 3.426 0 40 HGAB CCC1(CC)C[C@H](NC(=O)c2cccc(S(=O)(=O)NC)c2)c2ccccc2O1 225407088 RCPMRYXDLYUEMU-SFHVURJKSA-N 402.516 3.407 0 40 HGAB COc1ccc(S(=O)(=O)N(CC(=O)O)c2cccc(C(F)(F)F)c2)cc1OC 224799671 FHXHCDFGBDHCMQ-UHFFFAOYSA-N 419.377 3.003 0 40 HGAB CC[C@@H](C(=O)Nc1nnc(SC)s1)N(c1ccc(C)c(C)c1)S(C)(=O)=O 223196000 VIIVLEGHSWYVRE-ZDUSSCGKSA-N 414.578 3.060 0 40 HGAB NS(=O)(=O)c1ccc(C(=O)Nc2cccc(COc3cccc(F)c3)c2)cc1 40106985 KHOYHSPBGPZSLP-UHFFFAOYSA-N 400.431 3.304 0 40 HGAB CO[C@@H]1CN(CC(=O)Nc2nc(-c3ccc(F)cc3)cs2)CC[C@@]12CCCO2 257286302 PLBUIMHNPQUYSB-XLIONFOSSA-N 405.495 3.158 0 40 HGAB COc1ccc(F)cc1-c1cccc(CC2(C(=O)NC[C@H](C)O)CCOCC2)c1 257231115 GFHWWXUHHHPSLH-INIZCTEOSA-N 401.478 3.338 0 40 HGAB CCCN1CCN(Cc2cc[nH]n2)C[C@H](Cc2ccccc2-c2ccncc2)C1=O 257330088 XMTFWFXYSAKDML-NRFANRHFSA-N 403.530 3.385 0 40 HGAB CCNC(=O)Cc1c(C)nc([C@H]2CCCN(C(=O)c3ccccc3OCC)C2)nc1C 257314276 UWDVDAIBEMSBRG-SFHVURJKSA-N 424.545 3.191 0 40 HGAB O=C(c1cccc(OCc2ccccc2)c1)N1CC(S(=O)(=O)Cc2ccco2)C1 96122091 FLTLNNLNOCWVJH-UHFFFAOYSA-N 411.479 3.298 0 40 HGAB COc1ccc(C2(C(=O)NC[C@H]3OCCc4cn(Cc5ccccc5)nc43)CC2)cc1 585111557 WEPWJLPNSFASLT-JOCHJYFZSA-N 417.509 3.402 0 40 HGAB COc1ccc(NC(=O)[C@H]2CCCN2CC(=O)N[C@@H]2CCCc3ccccc32)cc1 52714391 XEVFYCJPCCCEAF-FGZHOGPDSA-N 407.514 3.292 0 40 HGAB O=C([C@H](c1ccccc1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1)N1CCCC1 53517363 IBUWFKCJYTZUJT-QFIPXVFZSA-N 404.514 3.330 0 40 HGAB Cc1cc2n(n1)[C@@H](C(F)F)C[C@@H]([C@H]1CCCN(C(=O)CN3CCC[C@H](C)C3)C1)N2 72341373 ZYUZIBUCVIUSIC-LEUOFYLZSA-N 409.525 3.152 0 40 HGAB Nn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccccc1C(F)(F)F 5257433 JDIXQAHDQHXOTA-UHFFFAOYSA-N 407.421 3.332 0 40 HGAB Cc1ccc(C(=O)[C@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]3[C@H]3CCCN32)cc1 5271757 MQFONYWUEWYXHW-UAFMIMERSA-N 408.885 3.484 0 40 HGAB COc1ccc(-[n+]2c(SCC(=O)O)n[nH]c2COc2ccc(Cl)cc2)cc1 5703044 ISARGAZVWVPLCO-UHFFFAOYSA-O 406.871 3.104 0 40 HGAB CSCc1cccc(C(=O)N2CCC(NS(=O)(=O)c3cccs3)CC2)c1 11451448 VZGVRUOPXZGOBJ-UHFFFAOYSA-N 410.586 3.194 0 40 HGAB O=C(COC(=O)CNC(=O)c1cccs1)Nc1c(Cl)cccc1C(F)(F)F 13005984 ZEOBIXHTILFSAR-UHFFFAOYSA-N 420.796 3.332 0 40 HGAB O=C(NC[C@@H]1CCCO1)c1ccccc1NS(=O)(=O)Cc1ccc(Cl)cc1 14291508 NLTKGEDASCJNFU-INIZCTEOSA-N 408.907 3.191 0 40 HGAB O=C([C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)N1CCCc2ccccc21 15576747 DDGZMJUZKXFCFP-QGZVFWFLSA-N 402.491 3.206 0 40 HGAB CCN(c1ccccc1)S(=O)(=O)c1nnc(NC(=O)CCc2ccccc2)s1 15674587 YVAWRTCLDNFQQG-UHFFFAOYSA-N 416.528 3.325 0 40 HGAB O=C(NCCSc1ccccc1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 18214474 OHELBDMMWSDKRI-SFHVURJKSA-N 424.975 3.402 0 40 HGAB C[C@H]1CCCC[C@H]1NC(=O)CN1CC2(CCOCC2)Oc2ccc(Cl)cc2C1=O 19496192 YIJLTFNTMUWTKW-MAUKXSAKSA-N 420.937 3.419 0 40 HGAB CCc1onc(C)c1C(=O)NCCn1ncc(-c2cnccn2)c1-c1cccs1 19521154 DLCXDDCPWYEQNC-UHFFFAOYSA-N 408.487 3.357 0 40 HGAB CCOc1ccc(C(=O)N2CCC(c3cc(=O)[nH]c(-c4ccccn4)n3)CC2)cc1 19532599 AYARUSQQVMSODY-UHFFFAOYSA-N 404.470 3.250 0 40 HGAB COc1cc(C)c(CN2CCC[C@H](c3ncccc3S(C)(=O)=O)C2)cc1OC 19567073 AAKDNJOXBDQGLQ-INIZCTEOSA-N 404.532 3.190 0 40 HGAB C[C@@H]1CCCN(CC(=O)Nc2cnn(CC(=O)Nc3cccc(C(F)(F)F)c3)c2)C1 19746069 NTFBCWCTUGURSP-CQSZACIVSA-N 423.439 3.211 0 40 HGAB O=C(CCn1c(=O)oc2ccccc21)N[C@@H]1CCCc2c1cnn2Cc1ccccc1 24562260 JKTZIBRQQZSEMI-LJQANCHMSA-N 416.481 3.423 0 40 HGAB Cc1cc(C(=O)N2CCC[C@H]2c2cccc3c2OCCO3)ccc1N1CCNC1=O 589580026 JHLQLGMGIMCBSF-IBGZPJMESA-N 407.470 3.273 0 40 HGAB O=C(Nc1ccc(N2CCOCC2)cn1)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1 37151407 NKRABSTXFJLSIY-GOSISDBHSA-N 416.481 3.063 0 40 HGAB Cc1cc(OCC(=O)N2CCC(Cn3nc4c(cc3=O)CCC4)CC2)ccc1Cl 1775995055 SWBVTSOZEQRLAB-UHFFFAOYSA-N 415.921 3.011 0 40 HGAB Cc1cc(S(=O)(=O)N2C[C@@H]3OCCN(CC4CCCC4)[C@H]3C2)c(C)cc1Cl 2056223537 QQSJKSPVHJBQCE-OALUTQOASA-N 412.983 3.221 0 40 HGAB COC(=O)c1ccc(N2C(=O)c3ccc(C(=O)Oc4ccccc4)cc3C2=O)cc1 1438074 IZJMPJWTOKRODV-UHFFFAOYSA-N 401.374 3.493 0 40 HGAB O=C(NCc1ccccc1)C(=O)c1cn(CC(=O)N2CCCCC2)c2ccccc12 3015345 ZVLFLABHZLSCDH-UHFFFAOYSA-N 403.482 3.153 0 40 HGAB COC(=O)c1ccccc1C(=O)Oc1coc(CSc2nccc(C)n2)cc1=O 4377386 DZHIDXHMOXFWJZ-UHFFFAOYSA-N 412.423 3.036 0 40 HGAB O=C(NCCn1nc(-c2ccc(F)cc2)ccc1=O)c1cccc(Br)c1 9660902 AMMVQTNXISJLBY-UHFFFAOYSA-N 416.250 3.242 0 40 HGAB Cc1ccccc1-c1nc2scc(CCNC(=O)C(=O)Nc3cccc(F)c3)n2n1 17136113 BDOTWDSQEVHTAP-UHFFFAOYSA-N 423.473 3.203 0 40 HGAB COc1ccc(-c2nn(CCNC(=O)c3ccc(Cl)cc3)c(=O)n2C2CC2)cc1 585199966 FSBLZVLUAITZAP-UHFFFAOYSA-N 412.877 3.139 0 40 HGAB O=C(CN1CCC[C@H]1c1ccccc1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 10311209 URXVFFYQJHMSFX-NRFANRHFSA-N 413.543 3.247 0 40 HGAB COc1cccc(N2C[C@H](C(=O)NCCOc3ccc4ccccc4c3)CC2=O)c1 30446169 PWJOKEJTYAWMME-LJQANCHMSA-N 404.466 3.397 0 40 HGAB C[C@H](Oc1ccc(C(=O)NN2C(=O)NC3(CCCCC3)C2=O)cn1)c1ccccc1 40143672 FBXABZKAASHUFF-HNNXBMFYSA-N 408.458 3.121 0 40 HGAB O=C1[C@H]2ON=C(c3ncc(C(F)(F)F)cc3Cl)[C@@H]2C(=O)N1Cc1ccccc1 100923340 OXKUMHSBMLQAKC-WFASDCNBSA-N 409.751 3.042 0 40 HGAB CCn1c(COc2ccccc2OC)nnc1SCC(=O)NCc1ccccc1 903357 XENCJHVBRPXCNE-UHFFFAOYSA-N 412.515 3.294 0 40 HGAB Cc1nn(S(=O)(=O)c2ccc(Cl)cc2)c(C)c1CS(=O)(=O)c1ccccc1 1400607 NTCXDIIGKGNYOF-UHFFFAOYSA-N 424.931 3.364 0 40 HGAB CCNc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2 1595469 CPLZXOXDQRKDNH-KRWDZBQOSA-N 412.486 3.295 0 40 HGAB biogenic Cc1ccc(OCC(=O)Nc2sc3c(c2C(N)=O)CCC3)c(Br)c1 1891926 LGYAZCFCALGMOW-UHFFFAOYSA-N 409.305 3.424 0 40 HGAB CCc1ccc(Nc2nnc(SCC(=O)NC(=O)c3cccn3C)s2)cc1 3429327 YHWBKFRYWGDOOX-UHFFFAOYSA-N 401.517 3.231 0 40 HGAB COc1ccc2[nH]c(=O)c(CN(C(=S)NCCCN(C)C)C3CCCC3)cc2c1 4133326 UCGRAXFQTQPNSD-UHFFFAOYSA-N 416.591 3.108 0 40 HGAB COCCNC(=S)N(Cc1cccs1)Cc1cc2ccc(OC)cc2[nH]c1=O 4134162 WICSQATWFYKKAL-UHFFFAOYSA-N 417.556 3.121 0 40 HGAB COc1cc(/C=C/C(=O)OCC(=O)NCCc2ccccc2)ccc1OC(F)F 4341120 GOKVRKDOIKBXJJ-CSKARUKUSA-N 405.397 3.212 0 40 HGAB CCCCn1c(COC(=O)c2ccc(C)s2)nc2cc(S(N)(=O)=O)ccc21 5093348 IQUFGFDQVHSJND-UHFFFAOYSA-N 407.517 3.211 0 40 HGAB COc1ccc(S(=O)(=O)Nc2ccc(N3CCCCC3=O)c(OC)c2)c(OC)c1 5329952 JLBWFWLMZWNPAN-UHFFFAOYSA-N 420.487 3.030 0 40 HGAB CCS(=O)(=O)N1CCc2cc(C(=O)COC(=O)c3cccc(C)c3C)ccc21 5426878 JKSJTSJIMGODMX-UHFFFAOYSA-N 401.484 3.055 0 40 HGAB Cc1ccc(C(C)C)c(OCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c1 5612062 AIVRMFIMWPNVKQ-UHFFFAOYSA-N 416.543 3.030 0 40 HGAB Cc1nc2sc3c(c2c(=O)n1-c1c(C)n(C)n(-c2ccccc2)c1=O)CCCC3 5783237 JUGAIROZWUGNDI-UHFFFAOYSA-N 406.511 3.432 0 40 HGAB CCCCOc1ccc(C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2OC)cc1 6051181 BXRDBSXKHCVNCU-UHFFFAOYSA-N 406.504 3.377 0 40 HGAB Cc1cccc2sc(NC(=O)[C@@H]3CC(=O)N(c4ccc5c(c4)OCCO5)C3)nc12 6790675 XBUUYJMCIPMHMO-CYBMUJFWSA-N 409.467 3.368 0 40 HGAB COCCNS(=O)(=O)c1ccc(C)c(C(=O)Nc2cccc(C(F)(F)F)c2)c1 7604493 JKPXAFDRXMSGTP-UHFFFAOYSA-N 416.421 3.191 0 40 HGAB Cc1ccc(Cl)cc1NC(=O)[C@H](C)n1cnc2sc(C(N)=O)c(C)c2c1=O 7995015 FJUXNVWRKDTXER-JTQLQIEISA-N 404.879 3.027 0 40 HGAB COc1cc2c(cc1OC)CN(C(=O)CSc1nnc(-c3ccoc3C)o1)CC2 8277152 PJAWVIGEPMDOIC-UHFFFAOYSA-N 415.471 3.332 0 40 HGAB CCN(C(=O)CSc1nc(-c2ccc(C)cc2)cs1)[C@H]1CCS(=O)(=O)C1 8343053 JREOJHQFJJAJNY-HNNXBMFYSA-N 410.586 3.246 0 40 HGAB O=C(Cn1cc(S(=O)(=O)c2ccc(F)cc2)c2ccccc21)NCc1ccccn1 8865833 ORHHLCSVDVERMH-UHFFFAOYSA-N 423.469 3.325 0 40 HGAB Cc1cc(Br)ccc1NC(=O)CNC(=O)[C@H](C)Oc1ccc(F)cc1 8945098 MVYSPJINAVQHIU-LBPRGKRZSA-N 409.255 3.419 0 40 HGAB CCS(=O)(=O)N(Cc1ccccc1)Cc1nc(-c2ccc(OC)cc2OC)no1 9305280 INHWMZRDMDCSHY-UHFFFAOYSA-N 417.487 3.106 0 40 HGAB O=C(CNC(=O)c1ccc2c(c1)OCO2)Nc1ccc(-c2cn3ccsc3n2)cc1 9378456 NVEUZFIEFXBWQH-UHFFFAOYSA-N 420.450 3.160 0 40 HGAB O=C(CC[C@@H]1NC(=O)N(CCc2c[nH]c3ccc(Cl)cc23)C1=O)NC1CCCC1 9420480 LFSMUKIBXKFYGP-SFHVURJKSA-N 416.909 3.123 0 40 HGAB Cc1cc2nc(Nc3nc(CSc4ncccn4)cc(=O)[nH]3)nc(C)c2cc1C 9939073 DPXBISSFOCWHJV-UHFFFAOYSA-N 405.487 3.464 0 40 HGAB COc1ccc(OC)c([C@@H]2CCCN2CC(=O)N2CCN(c3cccc(C)c3)CC2)c1 10055980 ISNTYDQFILSAGH-QHCPKHFHSA-N 423.557 3.498 0 40 HGAB Nc1cc2ccccc2nc1[C@H]1CCCN(C(=O)CN2Cc3ccccc3C2=O)C1 12088016 JDSAGNGTTDBDFB-SFHVURJKSA-N 400.482 3.179 0 40 HGAB Cc1sc2nc(C3CC3)n(C3CCN(CC(=O)NC(C)C)CC3)c(=O)c2c1C 12145318 SDXDYJTZPJYGAU-UHFFFAOYSA-N 402.564 3.114 0 40 HGAB CCc1cc(C(=O)N[C@@H]2CC(C)(C)Cc3nc(N4C[C@H](C)O[C@@H](C)C4)ncc32)no1 12276628 WEKXXUKUSISKSG-SUNYJGFJSA-N 413.522 3.084 0 40 HGAB CCOC(=O)c1c(C)[nH]c(C(=O)NC[C@@H](c2ccc(OC)cc2)N2CCCC2)c1C 12680815 DAOJTVDBUWJKPO-IBGZPJMESA-N 413.518 3.384 0 40 HGAB Cc1ccc(-c2noc(Cn3cnc4c(cnn4-c4ccccc4)c3=O)n2)cc1F 12752940 MSJMXFIHSXGDBG-UHFFFAOYSA-N 402.389 3.128 0 40 HGAB C[C@@H](OC(=O)c1ccccc1F)C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21 12769570 CFWXYUCQQLVLNC-SNVBAGLBSA-N 410.323 3.375 0 40 HGAB CCOCCCNC(=O)c1cc(Br)ccc1I 13019488 ATEOPWRPLVQDSJ-UHFFFAOYSA-N 412.065 3.210 0 40 HGAB CSc1ccc(CN(C)[C@@H](C)C(=O)NC(=O)Nc2ccc3c(c2)OCCO3)cc1 14931401 SLFCISHXHLQVQT-AWEZNQCLSA-N 415.515 3.348 0 40 HGAB CC(C)NS(=O)(=O)c1cccc(C(=O)OCc2cc(-c3cccs3)on2)c1 15754817 KDSSRPPAQIOTDX-UHFFFAOYSA-N 406.485 3.447 0 40 HGAB CCCC(=O)Nc1ccc(C(=O)OCc2cc(=O)n3nc(CCC)sc3n2)cc1 15772377 IMFVWLNYUFRKEI-UHFFFAOYSA-N 414.487 3.199 0 40 HGAB CS(=O)(=O)c1nc(S(=O)(=O)c2ccc(Cl)cc2)c(N2CCCCC2)s1 15943705 MAMABHKOCHNLRO-UHFFFAOYSA-N 420.965 3.023 0 40 HGAB Cc1cc(-c2cnc(N3CCOCC3)nc2[C@@H]2CCCN(Cc3ccccn3)C2)on1 19122226 YZQSCSJPLDNZMX-GOSISDBHSA-N 420.517 3.051 0 40 HGAB Fc1ccc(OCCN2CCC[C@H]([C@@H]3C[C@H](C(F)(F)F)n4ncnc4N3)C2)cc1 19335945 GJAXCHXPNKGDKI-RRQGHBQHSA-N 413.419 3.496 0 40 HGAB C[C@@H](OC(=O)C1CCN(C(=O)c2ccco2)CC1)C(=O)NCCC1=CCCCC1 19482815 UOHDUVBCHBKQIQ-MRXNPFEDSA-N 402.491 3.070 0 40 HGAB CCC(=O)N1CCCc2cc([C@H](O)CN3CCN(c4ccc(F)cc4)CC3)ccc21 19498888 CJLPNVIOHHFATJ-HSZRJFAPSA-N 411.521 3.371 0 40 HGAB CCN1CCN(C(=O)c2ccccn2)C[C@@H](Cc2cccc(-c3ccncc3)c2)C1=O 19527592 XZDLZCBJBFJPCI-JOCHJYFZSA-N 414.509 3.307 0 40 HGAB CCOc1cc2c(cc1CN1C[C@@H]3CCC[C@H](C1)C3(O)c1nccn1C)O[C@@H](C)C2 19532414 LVTZFZLXQGDXST-REXDCOFWSA-N 411.546 3.262 0 40 HGAB COc1ccc(CN2CCc3nc([C@@H]4CCCN4C(=O)C4CCC4)nc(O)c3C2)cc1 19555496 SYNMDAHUMQXENZ-NRFANRHFSA-N 422.529 3.213 0 40 HGAB CCOc1ccccc1CNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl 20040392 JWDIXRSLJLPBSQ-UHFFFAOYSA-N 422.934 3.453 0 40 HGAB COCCN1CCn2c(nc3cc(NC(=O)COc4ccc(Cl)cc4)ccc32)C1 20533519 QIDFGWUNQMCMNP-UHFFFAOYSA-N 414.893 3.169 0 40 HGAB Cc1cccc(NC(=O)CN2CCN(Cc3nc(-c4ccccc4)no3)CC2)c1C 20808572 YLSQXIIXZFNTNS-UHFFFAOYSA-N 405.502 3.110 0 40 HGAB COC(=O)CS[C@H](C)C(=O)Nc1ccc(C(=O)Nc2ccccc2OC)cc1 21278356 YSUDIOHTJALHHO-CYBMUJFWSA-N 402.472 3.181 0 40 HGAB O=C(NC[C@H](c1cccs1)N1CCOCC1)[C@@H]1COc2ccc(Cl)cc2C1 22767273 PYFQRYSGFXKWHF-DOTOQJQBSA-N 406.935 3.142 0 40 HGAB CCOC(=O)CSc1nnc(NC(=O)Cc2csc(-c3ccco3)n2)s1 22961868 VXKLCZVCFKCUQY-UHFFFAOYSA-N 410.502 3.091 0 40 HGAB C[C@@H](OC(=O)Cc1ccc(N2CCCC2=O)cc1)C(=O)N[C@@H]1CCCc2ccccc21 25115455 YXZUHMAZBSNJPK-VGOFRKELSA-N 420.509 3.481 0 40 HGAB O=C(O)/C=C/C(=O)Nc1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 25228572 XTXJXMUVHNCDKH-BQYQJAHWSA-N 415.254 3.374 0 40 HGAB O=C([C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1)N1CCCCC1 26113481 ULYBTXMWEGBLQG-IBGZPJMESA-N 420.918 3.309 0 40 HGAB O=C(CNc1cccc(C(=O)N2CCCC2)c1)Nc1cc(Cl)ccc1-n1cncn1 26805218 SHAZLRLJBMRPFI-UHFFFAOYSA-N 424.892 3.207 0 40 HGAB COc1ccc(C)cc1NC(=O)CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C 29754154 YMCIECFPIQEJGP-HSZRJFAPSA-N 407.470 3.331 0 40 HGAB O=C1CCCN1c1ccc(S(=O)(=O)Nc2cccc(OC[C@H]3CCCO3)c2)cc1 32776772 DMFZKEKRGHNOIQ-LJQANCHMSA-N 416.499 3.172 0 40 HGAB CN(C)[C@H](CNC(=O)C1CCN(C(=O)c2cccnc2)CC1)c1ccccc1Cl 32778274 VCWQHESAHYKIRM-HXUWFJFHSA-N 414.937 3.006 0 40 HGAB O=C(CCNC(=O)c1ccc(Cl)cc1)Nc1cc2c(cc1Cl)NC(=O)CO2 32818696 MEIHYHAAGPYFRX-UHFFFAOYSA-N 408.241 3.083 0 40 HGAB COCc1c(C(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)oc2ccccc12 32883719 UMYBFYIDRXAHQI-UHFFFAOYSA-N 400.456 3.371 0 40 HGAB COc1ccc(CN(C(=O)COC(=O)c2ccc(N)c(SC)c2)C2CC2)cc1 32899829 LSERLQOZWVSTIL-UHFFFAOYSA-N 400.500 3.347 0 40 HGAB COC(=O)[C@@H](CC(C)C)NC(=O)N1CCc2[nH]cnc2[C@H]1c1cccc(Cl)c1 36593887 VGYTZWTZRHEZAQ-SJLPKXTDSA-N 404.898 3.308 0 40 HGAB CCn1ccc(NC(=O)CCn2c(=O)cc(C(F)F)c3cn(C4CCCC4)nc32)n1 36621353 YVMLNGYMQOXRPC-UHFFFAOYSA-N 418.448 3.496 0 40 HGAB C[C@H](NC(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(C(C)(C)C)ccc2O1)c1ccccc1 38832883 FCBVLFPOHPFHBG-YWZLYKJASA-N 416.543 3.389 0 40 HGAB Cc1ccc(Cn2c(=O)c3ccccc3n(CC(=O)Nc3ccc(C)cc3)c2=O)cc1 40478440 JRPCXJQRMWWOKH-UHFFFAOYSA-N 413.477 3.467 0 40 HGAB C[C@@H](CN1CCCC1=O)NC(=O)Nc1cc(Cl)ccc1C(=O)N1CCCCC1 48375382 VGYFBCHDDYIHBT-AWEZNQCLSA-N 406.914 3.099 0 40 HGAB COc1ccc(C)cc1NC(=O)c1nc(-c2cn(Cc3ccc(F)cc3)nn2)no1 49410325 YQJZJTAPYMIEOP-UHFFFAOYSA-N 408.393 3.085 0 40 HGAB CC(=O)c1cccc(NC(=O)Cn2c(=O)n(CCC(C)C)c(=O)c3sccc32)c1 57426667 JGJOKNLGMAQOFJ-UHFFFAOYSA-N 413.499 3.112 0 40 HGAB CCOC(=O)c1sc2ncc(S(=O)(=O)NCc3cccc(OC)c3)cc2c1C 58313194 JOVGTAXVDYMFMI-UHFFFAOYSA-N 420.512 3.269 0 40 HGAB COc1ccc(OC)c(NC(=O)c2nnn(CC(=O)Nc3ccc(C)c(C)c3)c2C)c1 67322244 QEHCHZVJBQUWJV-UHFFFAOYSA-N 423.473 3.112 0 40 HGAB CCOCCCNC(=O)[C@H]1c2ccccc2C(=O)N(CCOC)C12CCCCC2 71284169 UXEVPSGTPJCESI-HXUWFJFHSA-N 402.535 3.118 0 40 HGAB Cc1ccc(CNC(=O)Cn2nnc(C(=O)Nc3cc(Cl)ccc3C)c2C)cc1 71327256 BNECDYVVQAWDPF-UHFFFAOYSA-N 411.893 3.425 0 40 HGAB O=S(=O)(c1cccnc1)N1CCN(Cc2ccc(-c3ccccc3F)s2)CC1 72002477 DQVJZTQUKUIXQL-UHFFFAOYSA-N 417.531 3.456 0 40 HGAB COc1cc2c(cc1CN1C[C@H]3N(C)C(=O)c4ccccc4C(=O)[C@@]3(C)C1)CCC2 72395823 FSXOSRVOIKUMBI-RDGATRHJSA-N 404.510 3.343 0 40 HGAB COc1ccc(CCC(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)cc1 89442179 FYJAQDFDRQEMJZ-UHFFFAOYSA-N 402.516 3.441 0 40 HGAB O=C(Nc1ccc(Cl)c(Cl)c1)[C@H]1CCCN(c2ccc(-n3cncn3)nn2)C1 96124095 IBHHXUMFUOZZIJ-LBPRGKRZSA-N 418.288 3.219 0 40 HGAB CC(C)N1CCC(C(=O)N2[C@H]3CC[C@H]2CC(O)(Cn2ccc4ccncc42)C3)CC1 100145898 HAPSUMQBWZJYGC-SFTDATJTSA-N 410.562 3.041 0 40 HGAB O=C(COC(=O)c1ccc(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1)c1ccccc1 100743415 CPXQAYGTKQBKRT-IDPBPBMLSA-N 403.434 3.262 0 40 HGAB COCCn1/c(=N/C(=O)c2ccc(S(C)(=O)=O)cc2)sc2c(C)cc(C)cc21 101042125 MQCXXROJSDLHEE-MRCUWXFGSA-N 418.540 3.111 0 40 HGAB O=C(CCN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@H]2C1=O)Nc1ccc(Cl)cc1Cl 102529763 FSHJIJIUGQWLFU-BXFUYCDMSA-N 405.281 3.375 0 40 HGAB COC(=O)Cn1cc(/C=C2/C(=O)N(c3ccccc3)C(=S)N2C)c2ccccc21 111672212 FQCWBYIOVYGOLM-UNOMPAQXSA-N 405.479 3.419 0 40 HGAB CC[C@@H]1CCCCN1c1nc(=O)c2c([nH]1)NC(=O)C[C@H]2C(=O)Nc1ccc(C)c(C)c1 139116024 YTAPRQJTJUGENL-IAGOWNOFSA-N 423.517 3.220 0 40 HGAB CC[C@@H](C(=O)N[C@H](C)COc1ccccc1C)N(c1ccc(C)cc1)S(C)(=O)=O 219101828 ITYKCEYJYGMPTQ-QUCCMNQESA-N 418.559 3.432 0 40 HGAB CCOc1ccc(N([C@@H](CC)C(=O)N2CCc3ccccc32)S(C)(=O)=O)cc1 220675821 AXLWLRYJIMRHSW-IBGZPJMESA-N 402.516 3.219 0 40 HGAB Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)s1 223168199 JWCJEZOMUXUWBV-MOPGFXCFSA-N 402.589 3.146 0 40 HGAB NC(=O)COc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 223297306 CSNTYISRTRNNIS-UHFFFAOYSA-N 408.785 3.024 0 40 HGAB CC[C@H]1CCCCN1CCCNS(=O)(=O)c1ccc(SC)c(NC(C)=O)c1 223521801 ZBXLDAAZLFNNNX-INIZCTEOSA-N 413.609 3.300 0 40 HGAB Cc1cc(N(CC(=O)NCC2CCCCC2)S(C)(=O)=O)ccc1Br 223869926 RWBCRTDVOONNTM-UHFFFAOYSA-N 417.369 3.220 0 40 HGAB COc1cccc(NS(=O)(=O)c2nnc(NC(=O)c3ccc(Cl)cc3)s2)c1 225826399 FSGOZNSRNSKHNX-UHFFFAOYSA-N 424.891 3.253 0 40 HGAB COc1ccc(-c2nc3sc(=Cc4ccc(SC)cc4)c(=O)n3n2)cc1OC 254380176 IGTXUINRUDTYIB-UHFFFAOYSA-N 411.508 3.105 0 40 HGAB CN(C)c1cncc([C@H]2CCCN2C(=O)C2(Cc3ccccc3F)CCOCC2)n1 257218006 DBMKRKHQBILSRC-HXUWFJFHSA-N 412.509 3.385 0 40 HGAB Cc1cc(C)n(CCOc2ccc(CN(C)C[C@@H](O)COc3ccccc3)cc2)n1 257267112 MGAOWTPDGPKIMD-JOCHJYFZSA-N 409.530 3.451 0 40 HGAB COc1cc([C@H]2OCC[C@@]34C[C@@H](C[C@H]23)C(C)(C)[C@H]4NC(=O)CCO)c(Cl)cc1O 257312468 UOBWYDRUNZZHGN-BUTBOQQVSA-N 423.937 3.435 0 40 HGAB CNC(=O)C1(Cc2cccc(-c3cccs3)c2)CCN(C(=O)CCOC)CC1 257320801 VYSQPPBJQRATAC-UHFFFAOYSA-N 400.544 3.349 0 40 HGAB COc1ccc(N(CC(=O)NC[C@H](C)c2ccccc2)S(C)(=O)=O)cc1Cl 260790605 IDDIMZUADQTOEI-AWEZNQCLSA-N 410.923 3.035 0 40 HGAB COc1cccc(-c2cnc3n2C[C@@]2(CCN(Cc4cccnc4OC)C2)OC3)c1 306136308 PPPRIIICPPMSEW-QHCPKHFHSA-N 406.486 3.137 0 40 HGAB CC(C)CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2)cc1 408586452 AGEMMNNWJSESMA-IAGOWNOFSA-N 404.532 3.266 0 40 HGAB COc1ccccc1NS(=O)(=O)c1ccc(O[C@@H](C)C(=O)NCC(C)C)cc1 408607045 PVYFDTLHGZEJLN-HNNXBMFYSA-N 406.504 3.036 0 40 HGAB C[C@@H](CNC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccccc1)c1ccccc1 408708725 LOFHTUZEPVGXPL-SFHVURJKSA-N 415.493 3.475 0 40 HGAB Cc1ccc(CNC(=O)c2ccccc2NC(=O)C(=O)NCCc2ccccc2)cc1 408710031 MBNTZSLFVVKYFL-UHFFFAOYSA-N 415.493 3.222 0 40 HGAB O=C(CSc1nnc(CCc2ccccc2)n1-c1ccccc1)NC[C@H]1CCCO1 409211707 OFDIEPLOZCUJPR-HXUWFJFHSA-N 422.554 3.440 0 40 HGAB CCCN1C(=O)N/C(=C/c2cc(Br)c(O)c(Br)c2)C1=O 409243308 XHSBNWTWUFAVRL-UXBLZVDNSA-N 404.058 3.220 0 40 HGAB NC(=O)N[C@@H](CC(=O)N(CCc1ccccc1)Cc1cccnc1)c1ccccc1 524276781 KYKQVSAXYMMINB-QFIPXVFZSA-N 402.498 3.453 0 40 HGAB Cc1ccnc(C(=O)N[C@H]2CCCN(c3c(C)cc(Br)cc3C)C2=O)n1 553287851 OUGLYUOMYALBHD-HNNXBMFYSA-N 417.307 3.090 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC(c3ccc4cccnc4n3)CC2)cc1F 1622294442 KLFWLQFMZIABAR-UHFFFAOYSA-N 401.463 3.346 0 40 HGAB CCN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CCN(C(=O)OC(C)(C)C)CC2 1857793692 MBJURFUPGUUQIE-UHFFFAOYSA-N 413.518 3.208 0 40 HGAB O=C1COC[C@@]2(CN(Cc3c(F)cccc3Cl)CCO2)CN1c1ccccc1 2037983837 IAXVTLDECKUUTB-OAQYLSRUSA-N 404.869 3.114 0 40 HGAB O=S(=O)(c1ccccc1)c1nnn2c1nc(N1CCCCCC1)c1ccccc12 2690448 BHTCYBHBHWCHAP-UHFFFAOYSA-N 407.499 3.491 0 40 HGAB COc1ccc(OC)c(C(=O)OCC(=O)Nc2cc(C)nn2-c2ccc(C)cc2)c1 21388653 WTDKGGLFODARNB-UHFFFAOYSA-N 409.442 3.302 0 40 HGAB O=C(COC(=O)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)Nc1cccc(Br)c1 102363927 XFPPPIAXLDQSCZ-NYYJTOMGSA-N 408.292 3.262 0 40 HGAB COCCCn1c(SCC(=O)N[C@H]2CCCC[C@H]2C)nc2ccccc2c1=O 4160938 AEZYZLDUWSEESN-WBVHZDCISA-N 403.548 3.220 0 40 HGAB CCCNC(=S)N(CCN1CCCC1)Cc1cc2cc(OCC)ccc2[nH]c1=O 4162129 CANLPHYTQWTSRJ-UHFFFAOYSA-N 416.591 3.109 0 40 HGAB C[C@H]1NC(C(=O)Nc2ccc3nc(C(C)(C)C)[nH]c3c2)=NN(c2ccccc2)C1=O 32830091 RFKLSVRVYSTBSQ-CYBMUJFWSA-N 404.474 3.137 0 40 HGAB Cc1cccc(CCNC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c1 4217966 SGVYDVSOSUIEKU-UHFFFAOYSA-N 420.962 3.408 0 40 HGAB COc1cc(NC(=O)c2ccco2)c(C(=O)OCc2nnsc2Cl)cc1OC 21601875 MMMVITGUYQWRPQ-UHFFFAOYSA-N 423.834 3.411 0 40 HGAB CCCOC(=O)c1cccc(NC(=O)CSc2nnc(-c3ccco3)n2C)c1 6324187 AHXFKTIAUMKVAH-UHFFFAOYSA-N 400.460 3.373 0 40 HGAB O=C(CS(=O)(=O)Cc1csc(-c2cccs2)n1)NCc1ccccc1F 32929879 NTHGAURUYFEFLI-UHFFFAOYSA-N 410.517 3.242 0 40 HGAB CCCCCNC(=O)COc1ccc(S(=O)(=O)Nc2ccc(OC)cc2)cc1C 7361937 GWUPCESLFFWFPP-UHFFFAOYSA-N 420.531 3.490 0 40 HGAB CCOC(=O)c1ccc(N2C[C@H](C(=O)O[C@H](C)C(=O)c3ccccc3)CC2=O)cc1 7881377 USQMFSZUKKZQCH-CRAIPNDOSA-N 409.438 3.031 0 40 HGAB COc1cccc([C@H](CNC(=O)CCc2nnc(-c3ccsc3)o2)N(C)C)c1 37151262 BVASWPVWHACQAF-KRWDZBQOSA-N 400.504 3.158 0 40 HGAB CC(C)[C@@H](NC(=O)C1CCCCC1)C(=O)O[C@H](C)C(=O)Nc1ccc(Cl)cn1 12016804 LUROFNLVLMJNST-CXAGYDPISA-N 409.914 3.326 0 40 HGAB O=C(CN1C(=O)NC2(CCCCC2)C1=O)Oc1ccc(Cl)cc1Br 8186678 MIWGYRZWNPIORK-UHFFFAOYSA-N 415.671 3.263 0 40 HGAB O=C(/C=C/c1cnn(-c2ccccc2)c1)N[C@@H](CN1CCOCC1)c1ccccc1 22955593 IDYRMEPDLXOKKP-RGPPVUSESA-N 402.498 3.075 0 40 HGAB CC(C)C[C@@H](CNC(=O)c1cnn(Cc2ccccc2Cl)c1)N1CCOCC1 22970626 QHFYSNYEEIWKFE-IBGZPJMESA-N 404.942 3.062 0 40 HGAB COc1ccc(-n2c(SCC(=O)Nc3cc(C)on3)nc3ccccc3c2=O)cc1 9845382 XGJWCWFMLPLDHV-UHFFFAOYSA-N 422.466 3.422 0 40 HGAB C[C@@]1(c2ccco2)NC(=O)N(CN2CCC(c3nc4ccccc4s3)CC2)C1=O 23881090 HPGPVAUHVSQRLU-NRFANRHFSA-N 410.499 3.493 0 40 HGAB O=C(NCCOc1cccc2ccccc12)[C@@H]1CCCN1S(=O)(=O)c1ccccc1 59461220 MJBLRRRWGRLBMO-NRFANRHFSA-N 424.522 3.188 0 40 HGAB CC(=O)Nc1cccc(NC2=NN=C(c3cc(C)n(-c4ncn[nH]4)c3C)CS2)c1 26144520 LXPCFXDHBJZNID-UHFFFAOYSA-N 408.491 3.090 0 40 HGAB CCOc1ncccc1C(=O)OCC(=O)Nc1ncc(C(F)(F)F)cc1Cl 3270051 MWPPNPKRWBCZCT-UHFFFAOYSA-N 403.744 3.343 0 40 HGAB CNS(=O)(=O)c1cc(NC(=O)CSc2cc(C)c3ccccc3n2)ccc1C 27248365 RVDFBWBBBRUZTP-UHFFFAOYSA-N 415.540 3.491 0 40 HGAB COc1ccc([C@@H](C)NC(=O)[C@H](C)N(c2ccc(F)c(F)c2)S(C)(=O)=O)cc1 113956662 BFZMCNRFFQGLAX-OLZOCXBDSA-N 412.458 3.005 0 40 HGAB O=C(NCCCn1ccnc1)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 408564237 UDCIUNQZZNGMIV-HSZRJFAPSA-N 420.538 3.477 0 40 HGAB Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 28436739 YRXSXRNDGVZNFQ-SFHVURJKSA-N 406.486 3.089 0 40 HGAB Fc1ccc(-n2ncc3c(N[C@@H](CN4CCOCC4)c4ccccc4)ncnc32)cc1 12764570 JTQWYKMDFBSQEI-NRFANRHFSA-N 418.476 3.440 0 40 HGAB O=C(CCN1C(=O)c2ccccc2C1=O)Nc1ccnn1Cc1cccc(Cl)c1 12793183 WRUPTQGDFBNTCX-UHFFFAOYSA-N 408.845 3.210 0 40 HGAB O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)NCCc1cccs1 12778977 BOFLYHJLVPNOQB-UHFFFAOYSA-N 406.573 3.214 0 40 HGAB O=C(CCn1nc(-c2cccs2)oc1=O)Nc1ccc(Br)cc1F 12895921 OOTCVLAWYKPXSU-UHFFFAOYSA-N 412.240 3.495 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1nc(C(C)(C)C)cs1 3459242 DGECPVQHGADBEJ-UHFFFAOYSA-N 423.560 3.022 0 40 HGAB CSc1nc2nc(C)c(CC(=O)Oc3ccccc3Br)c(C)n2n1 18086600 WEMVPRHOWQQLJS-UHFFFAOYSA-N 407.293 3.374 0 40 HGAB COc1ccc(Br)cc1CN(C)CC(=O)Nc1ccc(NC(C)=O)cc1 3586301 KFMIDJVYVDBTBU-UHFFFAOYSA-N 420.307 3.487 0 40 HGAB CS(=O)(=O)c1ccc(NC(=O)NC2(c3cccc(Br)c3)CCC2)cn1 63161114 IEYUZXXTWRMOQF-UHFFFAOYSA-N 424.320 3.449 0 40 HGAB Cc1c(C(=O)O)sc2[nH]c(=O)cc(CSc3nnc4[nH]c5ccccc5n34)c12 13256346 JBSNSHGDPWUZCY-UHFFFAOYSA-N 411.468 3.413 0 40 HGAB Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2N)c(Br)c1 13748986 TWGBQXBTHJXCFQ-UHFFFAOYSA-N 418.320 3.461 0 40 HGAB COC(=O)CCCCCn1c(C)cc(C(=O)Cn2nnc(-c3ccccc3)n2)c1C 5325777 NEMJWNFDNNAVCU-UHFFFAOYSA-N 409.490 3.375 0 40 HGAB CCn1c(SCC(=O)N[C@H](C)c2ccc(-n3cncn3)cc2)nnc1-c1ccco1 14114807 ONEYNQJXKWOVPP-CQSZACIVSA-N 423.502 3.108 0 40 HGAB O=C(N[C@H]1CCN(Cc2ccccc2)C1)C1CCN(C(=O)c2ccc(F)cc2)CC1 14184206 WGDVCZQOANVJFO-QFIPXVFZSA-N 409.505 3.069 0 40 HGAB CCn1c(COc2ccccc2C)nnc1S[C@H](C)C(=O)Nc1nnc(C)s1 4736437 UQQGBKKBRUJODQ-GFCCVEGCSA-N 418.548 3.465 0 40 HGAB Cc1cc(C(=O)COc2ccccc2C(N)=O)c(C)n1C[C@@H]1COc2ccccc2O1 5798302 XSPPCPJWNPGWCD-QGZVFWFLSA-N 420.465 3.306 0 40 HGAB CCOc1ccc(N2C[C@H](C(=O)Nc3ccccc3C(=O)NCC(C)C)CC2=O)cc1 9226239 QXFBDPZLODGPDV-QGZVFWFLSA-N 423.513 3.463 0 40 HGAB Cc1ccc(OCC(=O)N(Cc2sccc2C)[C@H]2CCS(=O)(=O)C2)cc1C 6810243 VEUZQSRFPAWOAF-KRWDZBQOSA-N 407.557 3.268 0 40 HGAB O=C(NC(=S)Nc1ccccn1)c1cc(I)ccc1Cl 8984963 CVBDNGDVIOSFIL-UHFFFAOYSA-N 417.659 3.466 0 40 HGAB COc1ccc(C2=NN(C(=O)CSc3nnc(C)n3C)[C@H](c3ccco3)C2)cc1 5937268 FWAXSKYVWIRPPG-KRWDZBQOSA-N 411.487 3.195 0 40 HGAB Cc1cc(NC(=O)[C@H](C)OC(=O)c2ccccc2C(=O)N(C)Cc2ccccc2)no1 7629461 INOHMVAEAKHZSG-INIZCTEOSA-N 421.453 3.439 0 40 HGAB Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3ccc(N4CCCCCC4)o3)C2=O)cc1 409023082 CTIKHDPMESPRKD-XMHGGMMESA-N 422.485 3.500 0 40 HGAB COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)C[C@@H]1C(=O)Nc1ccc(OC)cc1 19819134 WQAHYOWGOSACTL-SFHVURJKSA-N 412.417 3.273 0 40 HGAB CCNC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)c2cc(C(C)(C)C)ccc2O1 64985428 BRIAKHHRDNRSHH-IBGZPJMESA-N 402.516 3.077 0 40 HGAB CCCn1c(CCC(=O)N[C@H](C)CC)nc2cc(S(=O)(=O)N(CC)CC)ccc21 27337733 DQGNAIXTZQXEAW-MRXNPFEDSA-N 422.595 3.324 0 40 HGAB COc1ccc(/C=C2\SC(=O)N(CC(=O)NCc3ccco3)C2=O)cc1Cl 409203059 UKWRZXGBRRDKKW-NVNXTCNLSA-N 406.847 3.294 0 40 HGAB O=C(COc1ccc(S(=O)(=O)Nc2ccccc2)cc1Cl)NCc1ccco1 408606322 OVSVQWWOGLPKIY-UHFFFAOYSA-N 420.874 3.429 0 40 HGAB COc1ccc(OC)c(/C=C2\SC(=O)N(CC(=O)N3CCCCCC3)C2=O)c1 35404964 PCEBESPVVKHYHW-ATVHPVEESA-N 404.488 3.143 0 40 HGAB O=C(CCN1C(=O)S/C(=C\c2cccc(Cl)c2)C1=O)NCCCn1ccnc1 33585502 SPVZIHBKDRCTSS-VBKFSLOCSA-N 418.906 3.169 0 40 HGAB O=C(NCCCCc1ccccc1)C(=O)Nc1ccccc1C(=O)NC1CCCC1 408708704 LEIBZQLTLFZSGP-UHFFFAOYSA-N 407.514 3.437 0 40 HGAB CCOc1ccccc1NC(=O)CN(CC)S(=O)(=O)c1cc(C)ccc1OC 39985667 RNSOHGNNMOQSAV-UHFFFAOYSA-N 406.504 3.052 0 40 HGAB CCCc1ccc(S(=O)(=O)NCCCN2CCO[C@@H](c3ccccc3)C2)cc1 36700241 UGEAMOBNZNIPKZ-JOCHJYFZSA-N 402.560 3.381 0 40 HGAB Cc1ccc(OCCNC(=O)c2ccc(NS(C)(=O)=O)cc2Cl)cc1Cl 224163228 LAVLQCWTGRVQGA-UHFFFAOYSA-N 417.314 3.482 0 40 HGAB CC(C)Sc1nnc(NC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)s1 225610197 KMHPNXVTNMLFNU-UHFFFAOYSA-N 420.969 3.097 0 40 HGAB Cc1ccc(SCCNC(=O)c2ccc(N3CCCCS3(=O)=O)cc2)cc1 222579593 ZUZXMVHSZISBCM-UHFFFAOYSA-N 404.557 3.447 0 40 HGAB COc1ccc(N([C@@H](C)C(=O)NCC2=CCCCC2)S(C)(=O)=O)cc1Cl 224046619 QOPVICMGQWFORN-ZDUSSCGKSA-N 400.928 3.120 0 40 HGAB CSc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2OC(C)C)cc1 224657093 JCHGKCAVLPBZCL-UHFFFAOYSA-N 408.545 3.455 0 40 HGAB O=C(CN1CCN(c2ccc3c(c2)OCCO3)C1=O)Nc1ccc(C(F)(F)F)cc1 49390309 ADSDTHNXPHNSNS-UHFFFAOYSA-N 421.375 3.357 0 40 HGAB CCC(=O)N1CCc2cc(S(=O)(=O)N[C@@H]3CCCc4cc(OC)ccc43)ccc21 224705694 KQXQOYUQAKYOMY-HXUWFJFHSA-N 414.527 3.350 0 40 HGAB CCOC(=O)[C@]1(C)Oc2cc(NC(=O)c3ccc(OC(C)C)cc3)ccc2NC1=O 96182292 XZTVLWSRHBPFFE-JOCHJYFZSA-N 412.442 3.379 0 40 HGAB CC(C)N1CCN(C(=O)c2cc3c(c4ccccc4n3C)n2-c2ncccn2)CC1 96037301 CMPVLYWCKNJHRN-UHFFFAOYSA-N 402.502 3.078 0 40 HGAB CN(C)c1ccc(C(=O)N2CCC[C@H](c3nn(-c4ccccc4)cc3C(N)=O)C2)cc1 583621520 WOGGACSKUPVOBJ-SFHVURJKSA-N 417.513 3.057 0 40 HGAB CN(C)c1ccc(C(=O)N2CCC[C@@H](c3nn(-c4ccccc4)cc3C(N)=O)C2)cc1 583621519 WOGGACSKUPVOBJ-GOSISDBHSA-N 417.513 3.057 0 40 HGAB CCc1nc(C)c(C(=O)N2CCO[C@H](c3cc(Nc4nncs4)cc(C)n3)C2)o1 257318550 VOJRKZGCQYTHRP-HNNXBMFYSA-N 414.491 3.058 0 40 HGAB O=C(c1ccnc(F)c1)N1CCO[C@@H](c2ncn3cc(-c4cccnc4)ccc23)C1 585113153 PMEJGPZIGIFQSG-LJQANCHMSA-N 403.417 3.144 0 40 HGAB O=C(CCOc1ccc(F)cc1)NC[C@H]1OCCc2cn(Cc3ccccc3)nc21 585111622 DOMVBTIXRSUFBZ-OAQYLSRUSA-N 409.461 3.270 0 40 HGAB CS(=O)(=O)Nc1nc2n(n1)[C@H](c1ccc(Cl)cc1)C[C@@H](c1ccccc1)N2 5185932 PTQMJPWQYRDWHN-HOTGVXAUSA-N 403.895 3.449 0 40 HGAB COc1ccc2cc(C(=O)N3CCC([C@@H](NC(C)=O)c4nccs4)CC3)[nH]c2c1 12365756 XOQHAHMJYSYALR-LJQANCHMSA-N 412.515 3.363 0 40 HGAB c1ccc(CN2CCC[C@H](c3nc(N4CCOCC4)ncc3-c3ccncc3)C2)nc1 19401625 SFISTZLIZUFIFQ-FQEVSTJZSA-N 416.529 3.150 0 40 HGAB Cc1noc2nc(C3CCN(C(=O)C[C@@H](C)n4cncn4)CC3)cc(C(F)F)c12 19564641 QNBAZDVYNVUGGP-LLVKDONJSA-N 404.421 3.418 0 40 HGAB COc1ccc(-c2[nH]ncc2CNC(=O)c2ccc(C)c(N3CCOCC3)c2)cc1 19716632 SIBVHCVVFVEGJY-UHFFFAOYSA-N 406.486 3.160 0 40 HGAB Cc1cccc(Cn2c(=O)c3c(nc4n3C[C@@H](C)CN4C3CCCCC3)n(C)c2=O)c1 4249354 DXHZZMDLESQLLR-KRWDZBQOSA-N 421.545 3.042 0 40 HGAB CCCCn1c(=O)c2c(nc3n2CCCN3c2cccc(Cl)c2C)n(C)c1=O 4249384 AWWLRNOVCTXPRF-UHFFFAOYSA-N 401.898 3.200 0 40 HGAB COc1ccc(C2=NO[C@@H]3[C@H]4C[C@@H]([C@@H]23)[C@H]2C(=O)N(c3c(C)cccc3C)C(=O)[C@@H]42)cc1 4744586 DEBBZXPRNSMGBS-OPYKATSASA-N 416.477 3.487 0 40 HGAB COCCn1c(SCC(=O)Nc2ccccc2)nc2c([nH]c3ccccc32)c1=O 5106649 OPMHLGOVJLDADK-UHFFFAOYSA-N 408.483 3.255 0 40 HGAB Cc1cc(C(=O)N[C@H](C)c2cnn(-c3ccc(F)cc3)c2C)ccc1-n1cnnn1 40080614 GPHIMSQTEGTJAQ-CQSZACIVSA-N 405.437 3.095 0 40 HGAB CCOC(=O)c1ccoc1CNc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1 40040198 WKWMKRPVCMSPPD-HNNXBMFYSA-N 406.504 3.489 0 40 HGAB COc1ccc([C@@H]2CCCCCN2C[C@H](O)CN2C(=O)c3ccccc3C2=O)cc1 40051358 DHLQMQQQQLGETD-AVRDEDQJSA-N 408.498 3.269 0 40 HGAB COc1ccc2[nH]c3c(c2c1)CN(C(=O)CCC(=O)NCCc1ccc(F)cc1)CC3 20717959 PCZYAUOGHOROEQ-UHFFFAOYSA-N 423.488 3.339 0 40 HGAB Cc1ccc(C(=O)NC(=S)NCCc2ccccc2)cc1I 676770 QJBLUPJIDWOSES-UHFFFAOYSA-N 424.307 3.447 0 40 HGAB Cn1c2ccccc2c2nnc(SCC(=O)Nc3cccc4nsnc34)nc21 2194626 WQAOJNXOGOZSHL-UHFFFAOYSA-N 407.484 3.252 0 40 HGAB COC(=O)[C@@](O)(c1ccc(NC(=O)c2cccc(F)c2)c(OC)c1)C(F)(F)F 2275919 XGHOUHREUBHFCJ-KRWDZBQOSA-N 401.312 3.010 0 40 HGAB COCCCNC(=O)c1cc2c(n(-c3ccc(Cl)cc3)c1=O)CC(C)(C)CC2=O 2809844 PLKXHASRAXVUKX-UHFFFAOYSA-N 416.905 3.412 0 40 HGAB O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccc2c(c1)CCCC2 3313228 PDGMRVNHPPIAPQ-UHFFFAOYSA-N 408.483 3.409 0 40 HGAB Cc1cc(Br)ccc1NC(=O)CN1C(=O)NC2(CCC(C)CC2)C1=O 3457971 SRCBVBMVYRVWDI-UHFFFAOYSA-N 408.296 3.197 0 40 HGAB CCCCN(C)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccco3)o2)cc1 4107320 HGDJOQHOGBFBLT-UHFFFAOYSA-N 404.448 3.003 0 40 HGAB COCCn1c(SCC(=O)Nc2cc(C)ccc2C)nc2c(c1=O)S[C@H](C)C2 4108020 FAHKALLXWZQKAZ-CQSZACIVSA-N 419.572 3.274 0 40 HGAB O=C(Nc1nc2ccc(S(=O)(=O)N3CCCC3)cc2s1)c1cccc(F)c1 4333000 ROFMPYGJBZTCAG-UHFFFAOYSA-N 405.476 3.472 0 40 HGAB CC(C)(C)OC(=O)C(Br)(C(=O)OC(C)(C)C)c1ccc(Cl)nn1 4594579 ICSIKYPFGKKPCN-UHFFFAOYSA-N 407.692 3.404 0 40 HGAB Cc1occc1-c1nnc(SCC(=O)N2CCC[C@@H](C)C2)n1C[C@H]1CCCO1 4860258 WEMOYMPDRWJFCW-GDBMZVCRSA-N 404.536 3.376 0 40 HGAB Cc1cc(NC(=O)CCC(=O)N(c2ccccc2)[C@@H](C)C(=O)NC2CCCC2)no1 4933548 LLBFOAQKHRIDLS-INIZCTEOSA-N 412.490 3.182 0 40 HGAB CCOc1cccc(C(=O)N(Cc2ccc(CC)cc2)[C@H]2CCS(=O)(=O)C2)c1 5111366 OYXXUEXPYMSEGM-FQEVSTJZSA-N 401.528 3.477 0 40 HGAB CCc1ccc(CN(C(=O)COc2c(C)cccc2C)[C@H]2CCS(=O)(=O)C2)cc1 5119640 RTFSMRHZBJEKPY-NRFANRHFSA-N 415.555 3.461 0 40 HGAB COC(=O)c1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ncccn2)cc1 5163964 XIERTLTXSYLDAG-GOSISDBHSA-N 413.389 3.119 0 40 HGAB Cc1ccsc1C(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 5172264 MZGWJMXLHBKJFA-UHFFFAOYSA-N 400.525 3.356 0 40 HGAB CS(=O)(=O)Nc1nc2n(n1)[C@@H](c1ccc(Cl)cc1)C[C@H](c1ccccc1)N2 5185929 PTQMJPWQYRDWHN-HZPDHXFCSA-N 403.895 3.449 0 40 HGAB O=C(OCCOc1ccccc1F)c1cccc(S(=O)(=O)N2CCCCC2)c1 6461626 FWHCQOSPTLJTMB-UHFFFAOYSA-N 407.463 3.236 0 40 HGAB CNC(=O)CSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CCCC3 6637258 CRJPAFHRJRXQKO-UHFFFAOYSA-N 413.568 3.418 0 40 HGAB Cc1cc(/C=C(/C#N)C(=O)NC(N)=O)c(C)n1-c1ccc(Br)cc1F 6961902 OURJIRWSYVYGEH-SDQBBNPISA-N 405.227 3.098 0 40 HGAB COC(=O)c1ccc2c(=O)[nH]c(COC(=O)c3cc4c(s3)CC[C@H](C)C4)nc2c1 7135387 DQDBVQGODMVQPQ-NSHDSACASA-N 412.467 3.253 0 40 HGAB CCC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)Nc2ccc(OC)cc2)cc1C 7361946 XGEDZJBGVQFSLW-MRXNPFEDSA-N 420.531 3.488 0 40 HGAB CC(C)(C)c1ccc(-c2nnc(SCC(=O)NCCc3cccs3)n2N)cc1 7825760 CPPPNHCNTVTPRD-UHFFFAOYSA-N 415.588 3.469 0 40 HGAB Cc1ccc(C(=O)N(C)CCOc2ccccc2)cc1S(=O)(=O)N1CCCCC1 7842305 KZUNDWWKMIWKDW-UHFFFAOYSA-N 416.543 3.321 0 40 HGAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)N(C)Cc1sccc1C 8262701 WDRLVFCAOWYVOB-OAHLLOKOSA-N 409.577 3.074 0 40 HGAB COc1ccc(C(=O)NCc2ccccc2)cc1S(=O)(=O)NCc1ccccc1 8476208 OFAWZSPTGJPQPZ-UHFFFAOYSA-N 410.495 3.104 0 40 HGAB C[C@H](OC(=O)CCN1C(=O)c2ccccc2C1=O)C(=O)C12CC3CC(CC(C3)C1)C2 8667690 XKMRGLKAGFPNKZ-IOAHRDFVSA-N 409.482 3.390 0 40 HGAB Cn1c(SCc2cc(-c3ccccc3)on2)nc2cc(S(N)(=O)=O)ccc21 8704933 YUJKFHUWQDKOBA-UHFFFAOYSA-N 400.485 3.168 0 40 HGAB O=C(COc1ccc(NC(=O)c2ccccc2)cc1)NC(=O)NCc1ccccc1 8735611 VXTVYUGYKSRNMG-UHFFFAOYSA-N 403.438 3.344 0 40 HGAB Cc1ccc(-c2nnc(SCC(=O)c3ccc(NS(C)(=O)=O)cc3)n2C)cc1 8746754 DMWIPUJSLRPTCV-UHFFFAOYSA-N 416.528 3.137 0 40 HGAB O=c1c2nnn(-c3ccc(Br)cc3)c2ncn1Cc1ccccc1Cl 8903300 SRRCICOUVOGSFQ-UHFFFAOYSA-N 416.666 3.441 0 40 HGAB CCn1cc(C(=O)NC[C@@H](c2ccco2)N2CCCCC2)c(=O)c2ccc(C)nc21 9754098 CWESJRZHGDURIK-IBGZPJMESA-N 408.502 3.275 0 40 HGAB CCNC(=O)c1cc(S(=O)(=O)Nc2ccccc2C(F)(F)F)ccc1OC 10008897 JIEDSIVJOLDNIE-UHFFFAOYSA-N 402.394 3.265 0 40 HGAB Cc1sc2ncnc(N3CCC(C(=O)Nc4ccc5[nH]c(=O)[nH]c5c4)CC3)c2c1C 11167612 WSISBGROAYMRDH-UHFFFAOYSA-N 422.514 3.333 0 40 HGAB O=C(NCc1c(F)cccc1F)c1csc(NS(=O)(=O)c2cccs2)n1 11693229 HKXRQEILIGIBAN-UHFFFAOYSA-N 415.468 3.214 0 40 HGAB COc1ccc(S(=O)(=O)Nc2nc(C(=O)Nc3cccc(F)c3)cs2)cc1 11693246 XCMLOHVSIJAGCG-UHFFFAOYSA-N 407.448 3.344 0 40 HGAB Cc1cc(-c2cncnc2[C@H]2CCCN(C(=O)Cc3ccc4c(c3)OCO4)C2)on1 12118400 SNOPFXXLDBEXSD-INIZCTEOSA-N 406.442 3.117 0 40 HGAB O=C(Cn1cc(OCc2ccccc2F)c(=O)cc1CO)Nc1cccc(Cl)c1 12230925 GADSYNVEMHJFOD-UHFFFAOYSA-N 416.836 3.351 0 40 HGAB CCOc1ccccc1NC(=O)CCn1cnc2c(cnn2-c2ccccc2)c1=O 12440194 BIMONSOLKMCKAF-UHFFFAOYSA-N 403.442 3.010 0 40 HGAB Cc1nc(SCc2nc(N)nc(Nc3ccccc3)n2)n(C[C@@H]2CCCO2)c1C 12547262 QENAMTYOFGSDOR-INIZCTEOSA-N 411.535 3.482 0 40 HGAB O=C(Nc1ncn[nH]1)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1Cl 12728286 FUEFQOINDQCFNU-UHFFFAOYSA-N 412.258 3.165 0 40 HGAB C[C@@H](NC(=O)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1)c1cccc(Cl)c1 12800624 DOCVHFAOTDLWIB-RDTXWAMCSA-N 422.934 3.288 0 40 HGAB CCc1cccc(N2C[C@@H](C(=O)N(C)CC(=O)Nc3cc(C)ccc3C)CC2=O)c1 12824590 LMSNNMHSFLVCKL-IBGZPJMESA-N 407.514 3.316 0 40 HGAB COc1ccc([C@]2(C)NC(=O)N(Cc3nc(-c4ccccc4C)no3)C2=O)cc1OC 13041247 VXHVNYMHHNJHBQ-QFIPXVFZSA-N 422.441 3.029 0 40 HGAB O=C(NCc1ccc2c(c1)OCO2)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 13135514 UZAKFHHMZYUSRY-UHFFFAOYSA-N 410.451 3.146 0 40 HGAB O=C(Nc1ccccc1C(=O)NC[C@@H]1CCCO1)c1ccc(CN2CCCC2)cc1 13677483 ULCHXMCRFDTCNZ-FQEVSTJZSA-N 407.514 3.444 0 40 HGAB CCOc1ccc(S(=O)(=O)N(CC(=O)N2CCCCC2)C2CCCCC2)cc1 13855771 QWWGNUHLSBPUQI-UHFFFAOYSA-N 408.564 3.421 0 40 HGAB Cc1ccccc1-c1cc(C(=O)NCCN2CCOCC2)c2cnn(C(C)C)c2n1 14266779 JFJBHXDBLRKLSN-UHFFFAOYSA-N 407.518 3.050 0 40 HGAB Cc1cc(=O)c(C(=O)N(C)CCOc2ccc(Cl)cc2)nn1-c1ccccc1F 15610018 UDYFQDFPMDZQEZ-UHFFFAOYSA-N 415.852 3.484 0 40 HGAB CCCCCCNC(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(CCc4c[nH]c5ccccc45)C(=O)[C@H]13)O2 15894157 VHLZIJNLSWSJQK-UEOMBKFZSA-N 421.541 3.189 0 40 HGAB biogenic COc1ccccc1CCNC(=O)C[C@@H]1CCCCN1S(=O)(=O)c1cccs1 16838132 CEISCBHEPHAFJE-KRWDZBQOSA-N 422.572 3.049 0 40 HGAB O=S(=O)(c1ccc(NC(=S)Nc2ccc3c(c2)OCO3)cc1)N1CCCC1 17083184 MAUMOJGWKCYPMD-UHFFFAOYSA-N 405.501 3.009 0 40 HGAB C[C@@H]1C=CC[C@@H]2C(=O)N(c3ccc(C(=O)OCC(=O)c4ccccc4)cc3)C(=O)[C@@H]21 17836544 VWSMYSSTIUFCTD-MFMILTCTSA-N 403.434 3.428 0 40 HGAB COc1cc(C(=O)N2CCC([C@@H]3C[C@H](C(F)F)n4nc(C)cc4N3)CC2)ccn1 19128958 JFCALNVVXRANTH-JKSUJKDBSA-N 405.449 3.138 0 40 HGAB Cc1ccc2c(c1)C(=O)N(CC(=O)N1CCC[C@@H](C)[C@H]1C)CC1(CCOCC1)O2 19218685 MMZKHPCLANAURL-QZTJIDSGSA-N 400.519 3.026 0 40 HGAB CC(C)c1cc(C(F)(F)F)n2nc([C@@H]3CCN(C(=O)c4ccn(C)n4)C3)cc2n1 19452412 RTVCYSMOMKSYNA-GFCCVEGCSA-N 406.412 3.235 0 40 HGAB CC1(NC(=O)[C@H]2CN(Cc3ccccc3)C[C@@H]2c2ccnc(N3CCCC3)n2)CCC1 19461169 KSFKFGLKHSQPAT-SFTDATJTSA-N 419.573 3.351 0 40 HGAB Cc1nc(Cn2ncc3ccccc3c2=O)cc(NCCCN(C)c2ccccc2)n1 19655723 WZNJYJWXUZFXMM-UHFFFAOYSA-N 414.513 3.482 0 40 HGAB COc1ccc(-c2[nH]ncc2CNC(=O)[C@]2(C)CC(c3ccccc3F)=NO2)cc1 19660994 URRYIQVRFARQQK-QFIPXVFZSA-N 408.433 3.424 0 40 HGAB CN(C)[C@@H](C(=O)Nc1ccc(N2CCCS2(=O)=O)cc1)c1ccc(Cl)cc1 19664583 OAAYCLNLRMIPBM-GOSISDBHSA-N 407.923 3.121 0 40 HGAB Cc1sc2ncnc(N3CCC(C(=O)NC[C@@H](C(C)C)N(C)C)CC3)c2c1C 19716437 OHWSPADFCHOWCO-KRWDZBQOSA-N 403.596 3.227 0 40 HGAB CCOC(=O)[C@H]1C(=O)N=C(N2CCc3ccccc3C2)N[C@@H]1c1cccc(Cl)c1 20637002 XSFXNOYACYLDOM-RTBURBONSA-N 411.889 3.105 0 40 HGAB C[C@H](C(=O)N[C@H]1CCCc2ccccc21)N1CCN(Cc2ccc3c(c2)OCO3)CC1 22039667 KOYUNFXSWDKDDZ-GCJKJVERSA-N 421.541 3.115 0 40 HGAB O=C(CCSc1nncn1CCc1cccs1)NC(=O)NCc1ccccc1 23007777 ZWBUYJPZTLOAEP-UHFFFAOYSA-N 415.544 3.091 0 40 HGAB Cc1cnc2c(S(=O)(=O)Nc3ccc(S(=O)(=O)C(F)F)cc3)cccc2c1 24370311 CWMAKMQSBHUFPT-UHFFFAOYSA-N 412.439 3.340 0 40 HGAB C[C@@H](C(=O)c1c[nH]c2ccccc12)N1CCN(Cc2ccc3c(c2)OCCO3)CC1 26844820 XCTINLVMQHZTFK-KRWDZBQOSA-N 405.498 3.328 0 40 HGAB CCN(CC)[C@H](CNC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1)c1ccsc1 29414871 KHAHNCXLUMJNHS-LJQANCHMSA-N 421.588 3.002 0 40 HGAB CCOC(=O)C1=C(COC(=O)c2cc(CC)c(C)s2)NC(=O)N[C@@H]1c1ccco1 32745358 WKGVMRRHNCJXIZ-QGZVFWFLSA-N 418.471 3.240 0 40 HGAB C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)c1ccc(OC[C@H]2CCCO2)cc1 32753851 DGWPZQMYUXQEKN-OXQOHEQNSA-N 417.527 3.481 0 40 HGAB O=C1COc2cc(Br)ccc2N1CC(=O)N1CCC[C@@H]2CCCC[C@@H]21 40093418 VRJLDYUYEZCFST-ZFWWWQNUSA-N 407.308 3.356 0 40 HGAB COCCOC(=O)C1=C(C)N(CCCCCC(=O)O)C(=O)N[C@@H]1c1cccc(F)c1 40152343 ZLETUJJXLHPQHF-LJQANCHMSA-N 422.453 3.001 0 40 HGAB CC(=O)Nc1ccc(OS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)c2ccccc12 41091486 DUBCAHIWIBYADZ-UHFFFAOYSA-N 412.423 3.011 0 40 HGAB CN(C)[C@H](CNC(=O)[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1)c1ccco1 44514953 HIYYAWKLQNEKLU-XJKSGUPXSA-N 409.408 3.070 0 40 HGAB C[C@H](NC(=O)C1CCN(Cc2ccc(F)cc2)CC1)c1ccc(S(C)(=O)=O)cc1 44857139 QJTKAZGIMYVMKF-INIZCTEOSA-N 418.534 3.319 0 40 HGAB CC(C)c1noc(CCCC(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)n1 46784124 VMTZEZJMCRYNPT-UHFFFAOYSA-N 411.428 3.278 0 40 HGAB CC(C)NC(=O)N1CCC(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)CC1 47072155 UXRAOPFSXUUHOV-LJQANCHMSA-N 415.534 3.341 0 40 HGAB CCS(=O)(=O)Nc1ccccc1C1=NN(C(C)=O)[C@@H](c2ccccc2OC)C1 61983955 XNZYHESERSNXLS-LJQANCHMSA-N 401.488 3.154 0 40 HGAB COc1ccc(OC)c(NC(=O)c2nnn(CC(=O)Nc3c(C)cccc3C)c2C)c1 67323628 AZLJPVZLSXKOGD-UHFFFAOYSA-N 423.473 3.112 0 40 HGAB Cc1ccc(NC(=O)c2nnn(CC(=O)NCc3ccc(F)cc3)c2C)c(Cl)c1 71327409 ZTXTZAITPVYBGR-UHFFFAOYSA-N 415.856 3.256 0 40 HGAB Cn1cc(CN2CCC[C@@H]([C@H](NC(=O)Cc3ccccc3)c3ccccn3)C2)cn1 72330479 PKBWIODTSVJKRX-QPPBQGQZSA-N 403.530 3.127 0 40 HGAB CC[C@@H](C)C(=O)N1CCC(c2nc3c(c(=O)[nH]2)CN(Cc2cccs2)CC3)CC1 72398940 DEXXVIZUUPWVCS-OAHLLOKOSA-N 414.575 3.142 0 40 HGAB COc1ccc([C@H]2[C@@H](C(=O)NCCc3ccccn3)c3ccccc3C(=O)N2C)cc1 79479277 UEMFGIURFUIYFD-GOTSBHOMSA-N 415.493 3.360 0 40 HGAB COC(=O)c1cn([C@@H]2CCN(C(=O)c3oc4c(ccc5ccccc54)c3C)C2)nn1 95940540 MRFQFRXWAOAGPB-OAHLLOKOSA-N 404.426 3.360 0 40 HGAB COc1cc(CN(C)CC(C)(CO)CO)ccc1OCCOc1ccccc1Cl 95982904 VNYUDMJHHJVLJD-UHFFFAOYSA-N 423.937 3.229 0 40 HGAB Cc1cc(=O)oc2cc(OCC(=O)NCCc3nc4ccccc4[nH]3)c(Cl)cc12 96117998 ONUCWSMOVQTFPT-UHFFFAOYSA-N 411.845 3.369 0 40 HGAB O=C(NCCn1nc(-c2ccccn2)c2c1CCCC2)c1cc(=O)c2ccccc2o1 96121503 JFCSOKDSUZDHOV-UHFFFAOYSA-N 414.465 3.360 0 40 HGAB COc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc(C(F)(F)F)c4)C(=O)[C@H]3ON2C)cc1 100918628 DKWRYMXIZKQQAX-ZACQAIPSSA-N 406.360 3.190 0 40 HGAB O=C(c1ccc(F)cc1)[C@@H]1[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]2[C@H]2CCCN12 101388601 BEYFEKWVVRAIPI-MKXGPGLRSA-N 412.848 3.314 0 40 HGAB O=C1[C@H]2CCCC[C@@H]2C(=O)N1c1cnn(COc2ccc(Br)cc2)c1 101589891 RQVDEUQFIAEGHJ-HOTGVXAUSA-N 404.264 3.362 0 40 HGAB C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O 102085681 YZYSJMTZZRNQAC-NPDNGKTGSA-N 405.281 3.374 0 40 HGAB C[C@H](Sc1nc2ccccc2c(=O)n1[C@@H]1CCC[C@H](C)[C@@H]1C)C(=O)NC(N)=O 103455310 UGJCFISKXJBFJI-WFGGJUAMSA-N 402.520 3.069 0 40 HGAB C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2[C@H](O)C[C@]2(C)[C@@H](c3ccc(=O)oc3)C[C@@H](O)[C@@H]12 118928232 BOZCCNBSFTVVSL-DNYHFALASA-N 402.531 3.069 0 40 HGAB C[C@@H](NS(=O)(=O)c1cc(C(=O)O)ccc1NC[C@@H]1CCCO1)c1ccccc1 217478849 ZIHZJTRDIMVJNK-PBHICJAKSA-N 404.488 3.015 0 40 HGAB Cc1ccccc1CSCCNC(=O)c1ccc(N(C)S(C)(=O)=O)c(C)c1 222473593 VRCOJRGBOXSZAD-UHFFFAOYSA-N 406.573 3.362 0 40 HGAB COc1ccc(CN(C(=O)CCc2ccccc2)[C@H](C)C(=O)NC[C@H]2CCCO2)cc1 222993809 MHVBHIFTIAAFRY-AUSIDOKSSA-N 424.541 3.340 0 40 HGAB Cc1ccc(OCCNC(=O)CCCN(c2ccccc2C)S(C)(=O)=O)cc1C 224642527 BQNNDNALQWOILV-UHFFFAOYSA-N 418.559 3.353 0 40 HGAB COc1ccccc1N1CCN(C(=O)c2cnc(Cc3ccccc3)nc2C)CC1 225795076 QHXRUPURJGAYTD-UHFFFAOYSA-N 402.498 3.347 0 40 HGAB O=C(c1ccc(Cl)s1)N1CCC(N2CC(=O)N(c3ccccc3)C2=O)CC1 225820397 MSKUGCIMXDIRKA-UHFFFAOYSA-N 403.891 3.475 0 40 HGAB COCCCNC(=S)Nc1nc(N2CCCCC2)cc(N2C[C@@H](C)C[C@H](C)C2)n1 225900598 RDNRLTDJGQDTHO-IRXDYDNUSA-N 420.627 3.272 0 40 HGAB CCOC(=O)[C@]1(N)[C@@H](c2ccc(Cl)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 252516492 SUKOTUMNTYNMIY-JZXOWHBKSA-N 414.310 3.194 0 40 HGAB CC1(C)Cc2cccc(OCC(=O)NC[C@@](O)(c3ccoc3)c3cccs3)c2O1 253471619 DKEHXDOYNYOATF-JOCHJYFZSA-N 413.495 3.486 0 40 HGAB CN(C(=O)c1c[nH]nc1[C@H]1CCCN(C(=O)C[C@H]2CCCCO2)C1)C1CCCCC1 257252179 JTVAVPJEDXPVHC-PKOBYXMFSA-N 416.566 3.480 0 40 HGAB O=C([C@H]1C[C@H]2C=C[C@H]1C21CC1)N1CCC[C@H]([C@@H]2C[C@H](C(F)F)n3ncnc3N2)C1 257298026 RJUQHNSGOGRRGE-QROFKTNTSA-N 403.477 3.109 0 40 HGAB CCN(CC)C(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(OC)c(C)c1 408536089 YAWKQYNUIHEKDJ-UHFFFAOYSA-N 418.559 3.105 0 40 HGAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCN(C)CC3)ccc2Cl)c(C)c1 408546116 CIJSCEOECOURCR-UHFFFAOYSA-N 421.950 3.145 0 40 HGAB O=C(NC1CCCC1)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 408614715 GSNYDADHOQFOKE-HNNXBMFYSA-N 409.461 3.490 0 40 HGAB CC1CCN(S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)CC1 408619693 INQZLOVVAZTVKF-UHFFFAOYSA-N 406.479 3.264 0 40 HGAB COC(=O)c1ccccc1NC(=O)CCCN(c1cc(C)ccc1C)S(C)(=O)=O 408705402 DZJKWCRDSSINKY-UHFFFAOYSA-N 418.515 3.275 0 40 HGAB Cc1c(C(=O)N2CC=C(c3ccc4c(c3)OCCO4)CC2)nnn1-c1ccccc1 539963636 BNNIWNKBQVPODD-UHFFFAOYSA-N 402.454 3.276 0 40 HGAB COC(=O)[C@@H](NC(=O)c1cc(C)n(-c2cccc(Cl)c2)n1)c1ccc(OC)cc1 558069543 HCWLINUGMDDQPW-IBGZPJMESA-N 413.861 3.487 0 40 HGAB O=C(c1ccccc1S(=O)(=O)C(F)F)N1CC[C@@H](Oc2ccncc2Cl)C1 575413843 CZATTWJOYAWKEB-LLVKDONJSA-N 416.833 3.025 0 40 HGAB O=C([C@@H]1CCCN(c2nc3ccc(Br)cc3s2)C1)N1CCOCC1 1889149297 IYSQLGUUQFVUAG-GFCCVEGCSA-N 410.337 3.134 0 40 HGAB C[C@@H]1CN(C(=O)c2c[nH]nc2C2CCC(CNC(=O)c3ccccc3)CC2)C[C@@H](C)O1 2037834415 BGWBLXPSAFQIPZ-YYZRRKBYSA-N 424.545 3.363 0 40 HGAB O=C(Cn1cnc2c(sc3ccccc32)c1=O)N1CCN(c2ccccc2F)CC1 17201078 LHJCKPCUYMTPTL-UHFFFAOYSA-N 422.485 3.099 0 40 HGAB COc1ccc(OC)c(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)c1 791776 FCZNFOJBMFBRLO-MRXNPFEDSA-N 418.515 3.052 0 40 HGAB COc1ccc(C(=O)Nc2ccc(S(=O)(=O)NCc3ccco3)cc2)cc1OC 1225021 HZHOSVAYYQRHNA-UHFFFAOYSA-N 416.455 3.028 0 40 HGAB CC(=O)c1ccc(S(=O)(=O)N2CCC(c3nc(-c4ccc(C)o4)no3)CC2)cc1 1359476 HWZIRTLXUMCSBP-UHFFFAOYSA-N 415.471 3.409 0 40 HGAB CCOC(=O)[C@@H]1CSCCN1C(=O)c1ccc2c(c1)nc(C)n2-c1ccccc1 29993689 BKVIINUBLZUUIQ-FQEVSTJZSA-N 409.511 3.455 0 40 HGAB COc1c(C)cccc1C(=O)Nc1ccc(N2CCN(C(=O)C(F)(F)F)CC2)cc1 7496980 HWKGBVFZNIEDLL-UHFFFAOYSA-N 421.419 3.467 0 40 HGAB Cc1ccc(CCCNC(=O)CCCN(c2ccc(F)cc2)S(C)(=O)=O)cc1 10110587 HIAHIMIDRJYGAC-UHFFFAOYSA-N 406.523 3.429 0 40 HGAB CNC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1c(C)c(C)c(C)c(C)c1C 22531351 IZUQTEWCXKKLOH-FQEVSTJZSA-N 400.544 3.090 0 40 HGAB O=c1oc2c3c(ccc2cc1-c1ccc(F)cc1)OCN(CCN1CCOCC1)C3 22935754 BLKPVIKLJOIYLH-UHFFFAOYSA-N 410.445 3.083 0 40 HGAB CC[C@H]1CCCCN1CCCNC(=O)c1ccc(NS(C)(=O)=O)cc1Cl 20460735 NDUVQOXDRNPWJT-HNNXBMFYSA-N 401.960 3.096 0 40 HGAB CC(C)(C)c1ccc(S(=O)(=O)N2CCN(C[C@H](O)c3ccccc3)CC2)cc1 23763358 BMAFRDSPPBIBGO-NRFANRHFSA-N 402.560 3.024 0 40 HGAB CCCNS(=O)(=O)c1cc(C(=O)N[C@@H]2CCCc3ccccc32)ccc1OC 20025040 IPQKHLSBGMRKTA-GOSISDBHSA-N 402.516 3.191 0 40 HGAB Cc1ccc(N2C[C@@H](C(=O)O[C@H](C)C(=O)NCc3ccc(Cl)cc3)CC2=O)cc1 24077156 MIDOJDBSLDGDRZ-WBVHZDCISA-N 414.889 3.249 0 40 HGAB CCOc1ccc(NC(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)cc1 3167067 VHWXKBGEDHZOMT-HZPDHXFCSA-N 418.515 3.136 0 40 HGAB COc1ccc(OC)c(CN2CCN(C(=O)c3ccc(Br)cc3)CC2)c1 24601813 LUWZVNUYNWWKIT-UHFFFAOYSA-N 419.319 3.424 0 40 HGAB C[C@](O)(CS(=O)(=O)Cc1ccccc1)C(=O)Nc1ccc(C(F)(F)F)cc1 1391963 VSUASVDCRILGPI-KRWDZBQOSA-N 401.406 3.010 0 40 HGAB COc1cc(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc(OC)c1Br 24928294 NFJAAZFDNPTGLO-MRXNPFEDSA-N 419.319 3.471 0 40 HGAB CC(=O)Oc1c(Br)cc(C(=S)N2CCOCC2)cc1Br 1436592 LUFHXOSJQMGNDT-UHFFFAOYSA-N 423.126 3.145 0 40 HGAB O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)[C@@H]1COc2ccccc2C1 12561014 MHMPJXSVPGKTCF-AWEZNQCLSA-N 415.496 3.134 0 40 HGAB Cc1cccc(C)c1OCC(=O)N[C@@H](C)c1cc(O)n2nc(C3CCOCC3)cc2n1 100769416 PUAABUHJUVWLLO-INIZCTEOSA-N 424.501 3.202 0 40 HGAB C[C@H](Sc1nnc(-c2ccncc2)n1Cc1ccccc1)C(=O)NC[C@@H]1CCCO1 10213474 DFGGNMPKDSSYKF-LPHOPBHVSA-N 423.542 3.164 0 40 HGAB O=C1[C@@H]2[C@@H](C(=O)N1c1cccc(C(F)(F)F)c1)N1CCCN1[C@@H]2c1ccccc1 100830761 LPQXAUCZLPZYGO-KSZLIROESA-N 401.388 3.241 0 40 HGAB O=C(C[C@H]1NC(=O)c2ccccc2N=C1O)Nc1nnc(CCc2ccccc2)s1 44921923 MRCHQROSVIZILB-MRXNPFEDSA-N 421.482 3.052 0 40 HGAB CCN(CC)CCOc1cc(NC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)ccc1OC 58343251 WCZFLVSNHRGBRY-QGZVFWFLSA-N 417.550 3.145 0 40 HGAB Nc1c(C(=O)NC[C@H]2CCCO2)c2nc3ccccc3nc2n1CCc1ccccc1 2290252 WDUBFXBKEDVEAU-QGZVFWFLSA-N 415.497 3.318 0 40 HGAB O=C(CN(Cc1ccco1)[C@H]1CCS(=O)(=O)C1)Nc1cc(Cl)ccc1Cl 10833779 SEFOHIVEKAUJFO-ZDUSSCGKSA-N 417.314 3.214 0 40 HGAB Cc1ccc(C(=O)NC[C@H]2CCCO2)cc1S(=O)(=O)Nc1cccc(C)c1C 408546864 GYFXFOPQHCBJKJ-GOSISDBHSA-N 402.516 3.321 0 40 HGAB CCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 13004333 HPHDGTHQDDPGQC-HNNXBMFYSA-N 415.487 3.231 0 40 HGAB Cc1cc(C)c(O)c(-c2cc(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)[nH]n2)c1 13125558 CIGHHXSRBSCJLR-UHFFFAOYSA-N 417.469 3.449 0 40 HGAB Cc1ccc(NC(=O)C[C@@H]2CS(=O)(=O)C[C@H]2CC(=O)Nc2ccc(C)cc2)cc1 4159580 JBEQYWUUZSPINP-QZTJIDSGSA-N 414.527 3.322 0 40 HGAB CC[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CN(C)CCOc2ccccc2)C1=O 49622747 NCSARKOHCLLBTR-NRFANRHFSA-N 401.894 3.465 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)NCc2ccc(Cl)cc2)cc1 408608816 SKVQQGFJIPEQIY-UHFFFAOYSA-N 410.923 3.066 0 40 HGAB COc1ccc(N/C(C)=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(OC)c1 5031078 VNMQRRCILCRRLN-BOPFTXTBSA-N 415.833 3.326 0 40 HGAB COc1ccc(Cl)cc1NC(=O)[C@H]1CCN(S(C)(=O)=O)c2cc(C)ccc2O1 64988566 FPLFETZLRRBHNH-GOSISDBHSA-N 424.906 3.213 0 40 HGAB CCc1ccc(NC(=O)CSc2nnnn2-c2ccc(Cl)c(C(=O)O)c2)cc1 8836674 MGVSRUDXIUBKMA-UHFFFAOYSA-N 417.878 3.307 0 40 HGAB CN(Cc1ccc(C(F)(F)F)cc1)Cn1nc([C@@H]2CCS(=O)(=O)C2)oc1=S 14201689 VYFLSRNVPCTWSX-GFCCVEGCSA-N 421.466 3.216 0 40 HGAB COc1ccc(C(=O)[C@H](C)[C@@H]2[C@H](C(=O)NCc3ccccc3)C(=O)OC2(C)C)cc1 4698351 KKFUILHAZBACCO-CDHQVMDDSA-N 409.482 3.398 0 40 HGAB Nc1nc(N)nc(SCC(=O)N2c3ccccc3SC[C@@H]2c2ccccc2)n1 5505991 UXLWGQWCVMPRJJ-CQSZACIVSA-N 410.528 3.008 0 40 HGAB COc1ccc(CCNC(=O)Cc2c(C)c3cc(Cl)c(O)cc3oc2=O)cc1 4742631 QPIIOWBFVULROM-UHFFFAOYSA-N 401.846 3.370 0 40 HGAB C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)C1CCN(C(=O)Nc2ccccc2)CC1 5970963 DMXNDKDWPNCZPY-QGZVFWFLSA-N 421.497 3.452 0 40 HGAB CCOC(=O)[C@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@H]1c1ccc(CC)cc1 20802137 XEAZBKHMCCVLHR-RTWAWAEBSA-N 421.497 3.360 0 40 HGAB Cc1ccc([C@@H](CNC(=O)c2cc(=O)c3ccc(Br)cc3o2)N(C)C)o1 15860376 VZVNMSOXKIIVMW-CQSZACIVSA-N 419.275 3.490 0 40 HGAB CC(=O)c1cccc(NC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc(C)cc2)c1 7968721 WKOLFAUGEOYGLP-HXUWFJFHSA-N 400.500 3.380 0 40 HGAB COc1cc(Cl)c(C)cc1NC(=O)CN(C)S(=O)(=O)c1ccc(C(C)=O)cc1 9317027 HUVRTPZGTOPIMN-UHFFFAOYSA-N 424.906 3.119 0 40 HGAB CNC(=O)[C@H]1CCCC[C@H]1NCC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1 97165606 PAXTVTCSQVBMRE-ZWKOTPCHSA-N 411.550 3.003 0 40 HGAB O=C(Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2CC2CCCCC2)cc1)c1cccnc1 67896480 ZGVDFBSMTYAPTC-FYYLOGMGSA-N 423.513 3.175 0 40 HGAB biogenic,in-vitro C[C@H](CCO)C1(CNC(=O)Cc2csc(NC(=O)c3ccccc3F)n2)CCC1 95987106 OTMQYRWUNBTOMP-CQSZACIVSA-N 419.522 3.382 0 40 HGAB CC(C)N1C(=O)C[C@H](C(=O)NCCOCC(F)(F)F)[C@@H]1c1ccc(Cl)c(F)c1 95989085 DSQVQNAYYYVPBB-LRDDRELGSA-N 424.822 3.472 0 40 HGAB O=C1CCc2cc(Cl)c(S(=O)(=O)N3CCC[C@@H]3CC(=O)c3ccco3)cc2N1 544838377 TUEODJMIJFJCHR-CYBMUJFWSA-N 422.890 3.244 0 40 HGAB CCc1ccc(-c2cc3c(=O)n(CC(=O)N(CC)c4cccc(C)c4)ncn3n2)cc1 67208732 SUFQNFBNAHXVQL-UHFFFAOYSA-N 415.497 3.482 0 40 HGAB COc1ccc(S(=O)(=O)N(CC(=O)N2CCCCCC2)Cc2ccccc2)cc1 36799419 VAFKPGGNRDVXID-UHFFFAOYSA-N 416.543 3.289 0 40 HGAB O=C(NCCCc1ccc(F)cc1)c1cccc(S(=O)(=O)N2CCCCC2)c1 219983698 CQMOVBOCFNPYPC-UHFFFAOYSA-N 404.507 3.363 0 40 HGAB COC(=O)CC1CCN(C(=O)CCc2c(C)nc3c4ccccc4nn3c2C)CC1 79490862 KHZPMMRSKMNYJV-UHFFFAOYSA-N 408.502 3.234 0 40 HGAB CN1CCCN(C(=O)c2cccc(-c3ccc(C[C@@H]4CCCNC4=O)cc3)c2)CC1 72356304 XGHHOZWNEQLDDY-QFIPXVFZSA-N 405.542 3.200 0 40 HGAB COc1ccc(C)cc1C(=O)CCC(=O)N1CCC[C@H](c2nn(C)c3nccnc23)C1 72393914 NIJLYRCURLTRPN-INIZCTEOSA-N 421.501 3.049 0 40 HGAB CC[C@@H]1CCCCN1C(=O)CC1(N2Cc3ccccc3C2=O)CCN(C(C)=O)CC1 1565524669 RITVRVBZPNSUQR-HXUWFJFHSA-N 411.546 3.205 0 40 HGAB COc1cccc(CNC(=O)CCn2ccn3nc(-c4ccc(F)cc4)cc3c2=O)c1 67261074 LAXAZPXWNSUMLS-UHFFFAOYSA-N 420.444 3.017 0 40 HGAB Cc1cccc(N(CCCC(=O)NCCCN2CCC[C@@H](C)C2)S(C)(=O)=O)c1C 225840966 BAFAHWNLJVHJCR-GOSISDBHSA-N 423.623 3.088 0 40 HGAB Cc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)nc1 223257374 VSOVMBPFTUPYMW-SFTDATJTSA-N 406.559 3.110 0 40 HGAB CC(C)C(=O)Nc1ccc(-n2cnc(C(=O)NCCc3ccc(Cl)cc3)c2)nc1 49407467 CTEALCTVZBDCLL-UHFFFAOYSA-N 411.893 3.488 0 40 HGAB Cc1ccc(N(CC(=O)NCc2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1C 225764018 TWVSXWDKCNJUQO-UHFFFAOYSA-N 414.449 3.405 0 40 HGAB COc1ccc(OC)c([C@H](C)NC(=O)CSc2nc3nc(C)c(C)c(C)n3n2)c1 40119193 KYMVOVMZRVGPPI-ZDUSSCGKSA-N 415.519 3.036 0 40 HGAB COc1ccc(C(=O)OC(C)C)cc1NS(=O)(=O)c1ccc(OC)c(OC)c1 223645575 ALJCGACWRVPXQV-UHFFFAOYSA-N 409.460 3.078 0 40 HGAB C[C@H](C(=O)NCCOc1ccc2ccccc2c1)N(c1ccccc1)S(C)(=O)=O 223593599 NJVMKBSOSHDKCL-QGZVFWFLSA-N 412.511 3.190 0 40 HGAB COCCCNC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1Cl 224238387 FSWFDHGZLYIZTO-UHFFFAOYSA-N 410.923 3.240 0 40 HGAB CCNC(=O)C1CCN(c2nc3c(-c4ccccc4F)csc3c(=O)[nH]2)CC1 49421046 IFPFRGQYMKHVFY-UHFFFAOYSA-N 400.479 3.143 0 40 HGAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1sc(-c2cccnc2)nc1C 225859545 BJTYGCHCOPZCRL-UHFFFAOYSA-N 416.528 3.325 0 40 HGAB CNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)COc1ccccc1C 225441709 XZRWHJMWEBOGRZ-HNNXBMFYSA-N 419.319 3.300 0 40 HGAB CCS(=O)(=O)[C@@](Cl)(Br)C(=O)c1ccc(Br)cc1 96518183 RQWPJAIGJXQNCB-SNVBAGLBSA-N 404.507 3.354 0 40 HGAB Cc1nc(CC(=O)N2CCC[C@](COc3cccc(Cl)c3)(CC(N)=O)C2)cs1 257320858 VYXBAFUHGGJUHP-FQEVSTJZSA-N 421.950 3.211 0 40 HGAB COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N2C[C@@H](OC)C[C@@H]2C(=O)O)cc1 540786640 UJCKYIZVXWITNU-LAUBAEHRSA-N 422.481 3.477 0 40 HGAB COCCOc1ccccc1C(=O)N[C@H](C(=O)OC)c1cccc(C(F)(F)F)c1 1133133899 XLTBFSUIHXMENU-KRWDZBQOSA-N 411.376 3.375 0 40 HGAB CO[C@H]1CCC[C@H](C(=O)N2CCC(n3nc(-c4cccs4)ccc3=O)CC2)C1 12129353 QDUXROIHHVYKRZ-RDJZCZTQSA-N 401.532 3.341 0 40 HGAB CCOc1ccc(N2C[C@H](C(=O)NCCCc3nc4ccccc4[nH]3)CC2=O)cc1 12770999 HTOKIAKIZPBMNN-MRXNPFEDSA-N 406.486 3.064 0 40 HGAB CC(=O)c1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H](C(=O)c2ccc(C)cc2)N2CCC[C@H]32)cc1 13554377 PGEPDVMBAYDJFH-YUMYIRISSA-N 416.477 3.033 0 40 HGAB Cc1cc(NC(=O)CSc2nnc(-c3ccccc3)n2N)ccc1Br 14406130 ZBCAHUMPIIUEJH-UHFFFAOYSA-N 418.320 3.461 0 40 HGAB COc1ccc(/C=C/C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 18107880 UHYXFBQRGLTBBI-NTEUORMPSA-N 414.527 3.199 0 40 HGAB CNC(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)CN(Cc2cccc(C)n2)CCO1 19236295 KSIRDUDIOPPLRW-RUZDIDTESA-N 416.525 3.012 0 40 HGAB COc1ccc(-c2cc3nc([C@H](C)NC(=O)[C@H]4CCC[C@@H](OC)C4)nn3cn2)cc1 19574386 DAPRARFVTOPTAE-QILLFSRXSA-N 409.490 3.182 0 40 HGAB Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)c1cc(-c2cnn(C)c2)nc2ccccc12 19716408 UEJZVYVUFBUHNE-CQSZACIVSA-N 402.502 3.347 0 40 HGAB COc1cc2cc(N)c(C3CCN(C(=O)Cc4ccccn4)CC3)nc2cc1OC 12230820 DXHYLSUFLYERFO-UHFFFAOYSA-N 406.486 3.178 0 40 HGAB Cc1noc(C)c1CC(=O)N1C[C@@H]2CN(c3nc4ccccc4n3C(C)C)C[C@H]2C1 1888900944 FZJIJCPTHYLLIJ-QZTJIDSGSA-N 407.518 3.359 0 40 HGAB O=S(=O)(NC[C@@]1(O)CCCc2sccc21)c1ccc(Br)s1 1889148800 PDOLMCJVGGAWRN-ZDUSSCGKSA-N 408.364 3.075 0 40 HGAB O=C1N[C@H]2CCCN(C(=O)C3CCOCC3)[C@H]2CCCCCOc2ccccc21 1848357092 LWNMMLWNJWDIDH-PMACEKPBSA-N 400.519 3.155 0 40 HGAB CNS(=O)(=O)c1cccc(C(=O)Nc2cc(Cl)ccc2N2CCCCC2)c1 31484817 OPMMXNJMIAHQJC-UHFFFAOYSA-N 407.923 3.491 0 40 HGAB COc1ccc(C(=O)N2CCN(c3nccn3-c3ccc(C)cc3)CC2)c(OC)c1 12444665 JCDJHMJSCBSEJM-UHFFFAOYSA-N 406.486 3.160 0 40 HGAB Cn1c(SCc2nc(-c3ccc4c(c3)OCO4)no2)nc2ccsc2c1=O 16843306 BSUDGWLLOVDKNQ-UHFFFAOYSA-N 400.441 3.066 0 40 HGAB O=C(NCc1ccccc1)[C@H]1C[C@@H](NC2CCCCC2)[C@H](c2cnc(C3CC3)[nH]2)[C@@H]1O 2332241883 APQQBQXKPLRJIH-KKSHJYNMSA-N 422.573 3.359 0 40 HGAB Cc1occc1C(=O)Nc1nc(CC(=O)NCc2cnn(-c3ccccc3)c2)cs1 40145216 NRXHQHSJPIAMLI-UHFFFAOYSA-N 421.482 3.341 0 40 HGAB Cc1[nH]c2c(C(=O)NCc3ccc(C(=O)N4CCN(C)CC4)cc3)cccc2c1C 40111520 GFRAEYUILOKVLR-UHFFFAOYSA-N 404.514 3.102 0 40 HGAB CCOC(=O)[C@@](NCCc1ccc(F)cc1)(NC(=O)c1ccccc1)C(F)(F)F 20840801 ULJQZHMIJPGXPL-LJQANCHMSA-N 412.383 3.210 0 40 HGAB CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)NCCCN1CCc2ccccc2C1 32399034 LQSSUHLMADYJJS-QFIPXVFZSA-N 411.521 3.145 0 40 HGAB Cc1ccc(-c2nn(C)c(=O)c3c2CCCC3)cc1S(=O)(=O)N1CCCCCC1 46027418 JTJRXBXDVFZXQN-UHFFFAOYSA-N 415.559 3.199 0 40 HGAB Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccco2)c2ccccc2F)cc1 869451 DRHBCQCTSDFKAQ-UHFFFAOYSA-N 402.447 3.239 0 40 HGAB Cc1c(Cl)cccc1NC(=O)CSc1nnc2nc(O)c(C(C)(C)C)nn12 4251447 GGUTYMAZLQCXLK-UHFFFAOYSA-N 406.899 3.215 0 40 HGAB Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=S)Nc3ccccc3C)CC2)c1 7560960 OEQJZTOSUPBPGG-UHFFFAOYSA-N 403.573 3.315 0 40 HGAB Cc1ccc(S(=O)(=O)N2c3ccc(C(=O)NCc4cccnc4)cc3C[C@@H]2C)cc1 10326532 OGPCZVVHMFGARQ-KRWDZBQOSA-N 421.522 3.460 0 40 HGAB O=C([C@@H]1CCCO1)N1CCN(c2ncnc3cc(-c4ccc(F)cc4)sc23)CC1 33010969 XRGCBHDIZFJHGI-KRWDZBQOSA-N 412.490 3.325 0 40 HGAB Cc1nn(-c2ccc3nncn3n2)c2c1[C@@H](c1ccccc1C(F)(F)F)CC(=O)N2 33011465 GVARJPZUUYUBJM-GFCCVEGCSA-N 413.363 3.111 0 40 HGAB CN1CCN(C(=S)c2ccc(OCC(=O)Nc3ccc(Cl)cc3)cc2)CC1 8091792 LMQUVOIZVGNYDX-UHFFFAOYSA-N 403.935 3.280 0 40 HGAB CC[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1)c1ccc(C)cc1 8163007 JNEXHZFZVBHHGP-FQEVSTJZSA-N 416.543 3.205 0 40 HGAB CCOc1cc(CN2[C@@H]3CC[C@@H]2c2cnc4cc(C)nn4c2C3)ccc1OCCO 100753448 UEPBCOVFTZFZPB-IEBWSBKVSA-N 408.502 3.069 0 40 HGAB Ic1ccc(C2=C[C@H](c3ccccc3)n3nnnc3N2)cc1 100679673 VPXSZJUFCYEMBY-OAHLLOKOSA-N 401.211 3.334 0 40 HGAB O=C(NC[C@@H](c1cccs1)N1CCOCC1)C1=Cc2cc(Cl)ccc2OC1 23199858 HSQZZXQEGPJHIW-KRWDZBQOSA-N 404.919 3.367 0 40 HGAB Cc1ccc(SCCNC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)cc1C 24550834 ZVWSFCLHKSOPKZ-MRXNPFEDSA-N 412.511 3.294 0 40 HGAB CCOC(=O)c1sc2ncn(CC(=O)Nc3ccc(Cl)cc3)c(=O)c2c1C 921204 JEEYSQWCVGQVHA-UHFFFAOYSA-N 405.863 3.235 0 40 HGAB Cc1csc2nc(COC(=O)c3cccc(NC(=O)c4ccco4)c3)cc(=O)n12 21016935 OGJOXNZQZAFDAU-UHFFFAOYSA-N 409.423 3.267 0 40 HGAB CC(C)OC(=O)c1ccc(NC(=O)Cn2nc(-c3ccc(F)cc3)ccc2=O)cc1 61720557 ZPWFRRWEUYIKRB-UHFFFAOYSA-N 409.417 3.253 0 40 HGAB COc1ccc(N[C@H](C)C(=O)N2CCN(c3ccccc3)CC2)cc1OC(F)F 55685059 HXFJAMPXROVQHX-OAHLLOKOSA-N 405.445 3.446 0 40 HGAB Cc1cccc(C)c1NC(=O)COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccco1 3247074 AKBBMLJKILNMKT-IBGZPJMESA-N 420.465 3.419 0 40 HGAB CCOC(=O)C1=C(CN2CCc3ccccc3C2)NC(=O)N[C@H]1c1ccc(CC)cc1 57478415 PJVXVGUVNVVDEN-QHCPKHFHSA-N 419.525 3.478 0 40 HGAB NC(=O)[C@H]1CN(c2nc(/C=C/c3ccccc3)nc3sc4c(c23)CCCC4)CCN1 57580537 KVSCXPXXZPZVCV-SXSDINLZSA-N 419.554 3.004 0 40 HGAB O=S(=O)(Nc1cccc(-c2nnnn2C2CC2)c1)c1ccc(C(F)(F)F)cc1 10657327 FJFCLCGXRKJMRW-UHFFFAOYSA-N 409.393 3.495 0 40 HGAB COc1ccc(-c2cc(C(=O)NC[C@@H](C)Cn3ccc(C)n3)c3cnn(C)c3n2)cc1 36613555 PNGOYUUJWVYHJI-OAHLLOKOSA-N 418.501 3.215 0 40 HGAB CCc1ccccc1N1C[C@H](C(=O)Nc2ccc(N3CCCC3=O)c(OC)c2)CC1=O 11446436 VONPZZRRRPPLIP-QGZVFWFLSA-N 421.497 3.376 0 40 HGAB COc1ccc(OC)c(NC(=O)CSc2nc3ccccc3c3nc(C)nn23)c1 9288234 UQUNIKLWZSGHGF-UHFFFAOYSA-N 409.471 3.334 0 40 HGAB O=C(Nc1cccc(NC(=O)[C@@H]2CCCN(C(=O)N3CCCC3)C2)c1)c1cccnc1 48344894 OYFYPXDUBRIEHV-GOSISDBHSA-N 421.501 3.200 0 40 HGAB COc1ccc(Br)cc1CN(C)CN1C(=O)C(=O)c2cc(C)ccc21 12872341 HWDMHHOIPZJKGO-UHFFFAOYSA-N 403.276 3.385 0 40 HGAB O=C(CSc1nnc(C2CC2)n1Cc1ccccc1)NCc1ccc2c(c1)OCO2 3428076 YEJZAXYEAOVRQW-UHFFFAOYSA-N 422.510 3.341 0 40 HGAB COc1ccc(NC(=O)c2ccc(NC(=O)c3nc4nc(C)cc(C)n4n3)cc2)cc1 3421176 WPORRHLSKGMNOE-UHFFFAOYSA-N 416.441 3.254 0 40 HGAB COc1ccc(C(=O)Nc2nc(C)cs2)cc1S(=O)(=O)N1CCCC[C@H]1C 3561928 ZLUGNTXFROVAPT-CYBMUJFWSA-N 409.533 3.276 0 40 HGAB COc1ccc(-c2cc(=O)oc3cc(OCC(=O)NC[C@@H]4CCCO4)ccc23)cc1 4084698 JJXGCKNTACJKER-SFHVURJKSA-N 409.438 3.143 0 40 HGAB biogenic Cc1c(CCC(=O)Nc2ccc(Cn3cncn3)cc2)c(=O)oc2cc(O)ccc12 13626927 IVHIWLZQASHBNE-UHFFFAOYSA-N 404.426 3.018 0 40 HGAB Cc1ccc(NC(=O)CN2CC(=O)N(c3ccc(Br)cc3)C2=O)cc1 13839423 YBMWERIVHRGFKM-UHFFFAOYSA-N 402.248 3.165 0 40 HGAB CCC(=O)c1ccc(OCC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)OC)cc1 5294126 GAHHVXYTIDHRKU-HXUWFJFHSA-N 408.454 3.040 0 40 HGAB O=C(Nc1ccnn1Cc1ccccc1Br)[C@H]1COc2ccccc2O1 14183068 REBDLNOIOUQJBU-QGZVFWFLSA-N 414.259 3.472 0 40 HGAB CCOc1ccc(S(=O)(=O)c2nc(-c3ccco3)oc2N2CCOCC2)cc1 6668014 WJYSJPJQJMCKCN-UHFFFAOYSA-N 404.444 3.003 0 40 HGAB CCn1c(COc2ccc(OC)cc2)nnc1SCc1nc2ccccc2c(=O)[nH]1 18222165 OYDWXZKPNPLSGZ-UHFFFAOYSA-N 423.498 3.414 0 40 HGAB COCC(=O)N1c2ncnn2[C@@H](c2ccc(OC)cc2)C[C@@H]1c1ccc(OC)cc1 4816818 GBKCTHNWPHOXND-WOJBJXKFSA-N 408.458 3.009 0 40 HGAB CCCOc1ccc(C(=O)N(Cc2ccccc2F)[C@H]2CCS(=O)(=O)C2)cc1 6811059 TWAWBPXJLFRHIM-SFHVURJKSA-N 405.491 3.444 0 40 HGAB COc1ccc(C(=O)Nc2nc(-c3nnn(-c4ccccc4F)c3C)ns2)cc1 6914580 NSJXKAAYXREGIN-UHFFFAOYSA-N 410.434 3.494 0 40 HGAB O=C(c1ccccc1C(F)(F)F)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 8941724 YIKDLPDTZDZIOB-XNTDXEJSSA-N 424.444 3.464 0 40 HGAB CCCN(CCC)C(=O)Cn1c(-c2ccc(Cl)cc2)nc(C)c(CCO)c1=O 67300505 ZQTKHPHLNDOAAX-UHFFFAOYSA-N 405.926 3.056 0 40 HGAB CCOc1ccccc1[C@H]1CC(c2ccccc2NS(C)(=O)=O)=NN1C(C)=O 9260403 VHQPIMOPQDPGSN-LJQANCHMSA-N 401.488 3.154 0 40 HGAB COc1ccc(NC(=O)CSc2nc3cc(Br)cnc3[nH]2)cc1OC 9210862 JUCGNKQFKNDLCH-UHFFFAOYSA-N 423.292 3.468 0 40 HGAB COC(=O)C[C@H](NC(=O)CCc1ccc(O)c(Cl)c1)c1ccc(OC)c(OC)c1 96004276 YJTSRMWJNSLWAT-INIZCTEOSA-N 421.877 3.416 0 40 HGAB Cc1nnc(NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccccc2)s1 9426924 XRFZVGUPNZXOCQ-UHFFFAOYSA-N 409.500 3.220 0 40 HGAB COc1ccc2c(ccn2CCNC(=O)COc2ccc3c(C)cc(=O)oc3c2)c1 72324788 HXBRXLHLXCXDEM-UHFFFAOYSA-N 406.438 3.260 0 40 HGAB biogenic CCN(CC)CCN(CC(=O)Nc1ccc2c(c1)CCN2C(C)=O)Cc1ccccc1 72308257 FTIOKEPRDXZHFR-UHFFFAOYSA-N 422.573 3.378 0 40 HGAB CC(C)Oc1ccc2nnc(CCC(=O)Nc3nc(-c4cccnc4)cs3)n2n1 72404491 UKNGTFDAPMIHFZ-UHFFFAOYSA-N 409.475 3.001 0 40 HGAB CC(C)(C)[S@@](=O)Cc1cccc(NC(=O)N2CCN(Cc3ccccn3)CC2)c1 97379640 USXPQGKQZIINHB-GDLZYMKVSA-N 414.575 3.479 0 40 HGAB CN(Cc1cc(Br)cs1)C(=O)CN1CCN(C2CCCC2)CC1 97477882 PSJKRFLPATVYIE-UHFFFAOYSA-N 400.386 3.029 0 40 HGAB O=C1N[C@@H]2[C@H](CCCCC(=O)N3CCn4cccc4[C@@H]3c3ccccc3)SC[C@@H]2N1 84525628 RDCRVQLNRFADHQ-UDDWMFPDSA-N 424.570 3.146 0 40 HGAB CSc1ccc([C@@H](CC(=O)O)NC(=O)c2ccc(C)c(S(C)(=O)=O)c2)cc1 95463953 ZTEPIOYFIDMFLO-MRXNPFEDSA-N 407.513 3.066 0 40 HGAB C[C@H](NC(=O)N1CCN(Cc2ccccc2)CC1)C(=O)Nc1ccc2[nH]ccc2c1 79482446 ODNGJTGIQWPBRT-KRWDZBQOSA-N 405.502 3.022 0 40 HGAB Cc1ccc(C)c(N2CCN(C(=O)c3sccc3NC(=O)c3cnccn3)CC2)c1 67335804 NZGYLXICCJZCAA-UHFFFAOYSA-N 421.526 3.370 0 40 HGAB Cc1ccc(C(=O)N2CC[C@]3(C2)CN(C(C)C)S(=O)(=O)c2ccccc2O3)s1 306140497 UVCROSUMYBFWHW-FQEVSTJZSA-N 420.556 3.133 0 40 HGAB CC(=O)Nc1cccc(NC(=O)CCCN(c2ccc(Cl)cc2)S(C)(=O)=O)c1 408694440 HBBWLEXGRIWEHS-UHFFFAOYSA-N 423.922 3.483 0 40 HGAB CCOc1ccc(N([C@@H](C)C(=O)N(C)Cc2ccc(C)cc2)S(C)(=O)=O)cc1 216486794 QQDXQRKSKFKNFC-KRWDZBQOSA-N 404.532 3.207 0 40 HGAB CCOCCCNS(=O)(=O)c1cc(C(=O)O)ccc1NCCC1=CCCCC1 217507654 PFSLOPNLXRNSKQ-UHFFFAOYSA-N 410.536 3.392 0 40 HGAB CCOc1c(Br)cc(Br)cc1C=C(C(=O)OC)C(=O)OC 314425066 IPDQHMZOFXGJCC-UHFFFAOYSA-N 422.069 3.340 0 40 HGAB NC(=O)N[C@@H](CC(=O)N1CCC[C@H]1c1ccncc1)c1cccc(Br)c1 42794653 DCNIEXGQNDWFOT-IRXDYDNUSA-N 417.307 3.307 0 40 HGAB Cc1nc([C@@H]2CCCN2C(=O)c2cnccn2)ccc1C(=O)NCc1ccc(F)cc1 72371185 SLSXMKRHFMBYIH-NRFANRHFSA-N 419.460 3.226 0 40 HGAB Cc1nn(C(C)C)c(C)c1NC(=O)[C@@H]1OCC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 72241275 YVRJJBNOGUVVOZ-RTBURBONSA-N 404.898 3.271 0 40 HGAB CCOC(=O)c1ccccc1NC(=O)CCCN(c1ccccc1F)S(C)(=O)=O 222650913 DVQPZGPHFVDNNW-UHFFFAOYSA-N 422.478 3.187 0 40 HGAB COc1ccc(C(=O)NC2CCN(C(=O)c3cc(-c4ccc(F)cc4)n[nH]3)CC2)cc1 49406629 NXNSBBWCJUZTLL-UHFFFAOYSA-N 422.460 3.259 0 40 HGAB COc1cccc(C(=O)Nc2cnc(N3CCN(c4ccccc4)CC3)nc2)c1OC 224257365 USVJIAWFEZJENE-UHFFFAOYSA-N 419.485 3.073 0 40 HGAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NS(=O)(=O)c1ccc2c(c1)sc(=O)n2C 225681887 JVCVEWCDPBLDPT-HNNXBMFYSA-N 418.540 3.489 0 40 HGAB COc1cc2c(cc1OC)[C@H](CC(=O)O)N(C(=O)c1cccc3c1ccn3C)CC2 571501135 ACAIOSQAEAUJLZ-IBGZPJMESA-N 408.454 3.410 0 40 HGAB O=C(c1ccccc1F)N1CCC(CNS(=O)(=O)Cc2ccccc2Cl)CC1 43962520 RDTFVJIHKZAAEK-UHFFFAOYSA-N 424.925 3.451 0 40 HGAB COC(=O)c1ccc(F)c(S(=O)(=O)Nc2ccc3sc(C(=O)OC)cc3c2)c1 223430256 NYUHPTAYLKBGNF-UHFFFAOYSA-N 423.443 3.414 0 40 HGAB CC[C@@H](C(=O)NC(C)(C)Cc1ccccc1)N(c1cccc(OC)c1)S(C)(=O)=O 224581014 SRXVAEXFIMQGKO-FQEVSTJZSA-N 418.559 3.377 0 40 HGAB Cc1n[nH]c(SCc2noc(CCC(=O)Nc3ccc(Br)cc3)n2)n1 95481939 JZPZKZVOUBFSPJ-UHFFFAOYSA-N 423.296 3.122 0 40 HGAB O=C(c1ccc2ccccc2n1)N1CCC[C@@]2(COCCN(c3cccnc3)C2)C1 96076453 WELVUWXSRLRODR-DEOSSOPVSA-N 402.498 3.389 0 40 HGAB COc1ccc(Cc2cnc([C@@H]3CCCN(C(=O)COc4cccnc4)C3)o2)cc1 257234622 GUKFSTSORBTHPY-GOSISDBHSA-N 407.470 3.454 0 40 HGAB CNC(=O)c1sc2nc([C@]3(C)CCCN(CC4CCOCC4)C3)ccc2c1N 257234042 GRWAWUBFRCCUOE-OAQYLSRUSA-N 402.564 3.018 0 40 HGAB O=C1CCCN1CC(=O)N1CCC[C@H](c2ncc(Cc3ccccc3Cl)o2)C1 257212105 CBYZTRITJTZPEW-INIZCTEOSA-N 401.894 3.247 0 40 HGAB O=C(Cn1ccc2ccccc21)N1CCC(N2CC(=O)N(c3ccccc3)C2=O)CC1 252551890 UJQAKKJFLWFMFH-UHFFFAOYSA-N 416.481 3.101 0 40 HGAB CCCc1ccc(CN2CCO[C@](COc3cccc(Cl)c3)(CC(N)=O)C2)o1 257206124 BBYXSCAHFJOGSV-OAQYLSRUSA-N 406.910 3.411 0 40 HGAB Cc1cc(C)cc(N([C@H](C)C(=O)NCCOc2ccc(Cl)cc2)S(C)(=O)=O)c1 260793169 KTPXDYGYABZWQS-MRXNPFEDSA-N 424.950 3.307 0 40 HGAB COc1ccc(NC(=O)[C@]23C[C@H]2CN(c2ccc(C)cc2)S3(=O)=O)cc1Cl 260834597 NFQMPTHSPXYXMK-DJJJIMSYSA-N 406.891 3.204 0 40 HGAB CC(=O)Nc1c[nH]nc1[C@H]1CCCN(C(=O)Nc2ccn(Cc3ccccc3)n2)C1 1116505149 PMYZFFHMSFDGOO-KRWDZBQOSA-N 407.478 3.024 0 40 HGAB O=S1(=O)C=C[C@@H](N(Cc2ccccc2)S(=O)(=O)c2ccc3ccccc3c2)C1 575424250 UHEWVJRGVPBGKW-HXUWFJFHSA-N 413.520 3.341 0 40 HGAB Cn1cc(C(=O)NC2CCN(CC3(c4ccc(F)cc4)CCCC3)CC2)ccc1=O 72393527 COMHEVDSUXIMNT-UHFFFAOYSA-N 411.521 3.231 0 40 HGAB O=C1CC[C@@H](c2cccc(NC(=O)N[C@@H]3CCCN(c4ccccc4F)C3=O)c2)N1 1678456014 FDIYMAQORVGYMQ-ZWKOTPCHSA-N 410.449 3.094 0 40 HGAB CCOC(=O)c1nnc2c3c(-c4ccccc4)c(-c4ccccc4)nnc3nn2c1N 5460925 SAHSBNLBOHJXAQ-UHFFFAOYSA-N 411.425 3.160 0 40 HGAB COc1ccccc1C(=O)NCC(=O)NCCSc1ccc(Br)cc1 15381667 QNOZYKNCSGWLMZ-UHFFFAOYSA-N 423.332 3.096 0 40 HGAB CCOc1ccc(CCNS(=O)(=O)c2ccc(OC)c(OC)c2)cc1OCC 16094343 UKALOHSRJVRBQK-UHFFFAOYSA-N 409.504 3.022 0 40 HGAB COc1ccc(-c2nnc3n2[C@@H]2CCCC[C@H]2N(C(=O)c2cc(C)no2)C3)cc1OC 19119988 DOHFQQRPKSIPJS-HZPDHXFCSA-N 423.473 3.398 0 40 HGAB COc1ccc(CN(C(=O)c2cc(-c3cnn(C)c3C)on2)C2CCN(C)CC2)cc1 19554018 ULVXQXWCKSWBET-UHFFFAOYSA-N 423.517 3.129 0 40 HGAB CNC(=O)[C@@]1(Cc2ccccc2-c2ccncc2)CN(C(=O)C2CCCCC2)CCO1 19591802 FYNLSDYWKVOIDN-RUZDIDTESA-N 421.541 3.215 0 40 HGAB CC(C)(C)N1C[C@@H](C(=O)Nc2nnc(CCOc3ccc(Cl)cc3)s2)CC1=O 19659730 KYLRVJDKURGNKT-LBPRGKRZSA-N 422.938 3.399 0 40 HGAB CC[C@H]1Oc2ccc(C(=O)c3ccco3)cc2N(CC(=O)N2CCCC[C@H]2C)C1=O 12241945 BYFYLJVGHKQBMM-CRAIPNDOSA-N 410.470 3.416 0 40 HGAB COc1cc(C)ccc1CN1C[C@@H](c2c(F)cccc2F)[C@@]2(COCCC(=O)N2)C1 19134140 CBKIJTPKBSLRFY-SBUREZEXSA-N 416.468 3.157 0 40 HGAB O=C(CN1CCC[C@@H](n2c(=O)oc3ccc(Cl)cc32)C1)N1CCc2ccccc21 19375403 ZHEWFNURIXTLIV-QGZVFWFLSA-N 411.889 3.474 0 40 HGAB COc1ccc(-c2cc(N3CCCN(C(=O)Cc4ccccc4OC)CC3)n[nH]2)cc1 1889092458 LIJYCBBWBXDRHS-UHFFFAOYSA-N 420.513 3.375 0 40 HGAB CC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccccc3Br)CC2)cc1 23385677 RGETVZSCFBWTIT-UHFFFAOYSA-N 423.332 3.163 0 40 HGAB Cc1cc(C(=O)COC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)c(C)c(C)c1C 36783641 HNUGNMLPDKQEDS-UHFFFAOYSA-N 415.511 3.282 0 40 HGAB COC(=O)Cn1/c(=N/C(=O)c2ccc(C)c(C)c2)sc2cc(NC(C)=O)ccc21 4191572 DNZAMIBCZRIMIN-LNVKXUELSA-N 411.483 3.192 0 40 HGAB COc1ccc(Cn2ccnc2SCC(=O)Nc2ccc3c(c2)OCCO3)cc1 4248790 RETVOWTWFCILLB-UHFFFAOYSA-N 411.483 3.442 0 40 HGAB COc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2F)cc(OC)c1OC 8767264 AOHQSRUPLSZKCU-SFHVURJKSA-N 415.421 3.118 0 40 HGAB O=C(Nc1nc(-c2cccnc2)cs1)[C@H]1CCCN1S(=O)(=O)c1cccs1 10186957 JBKBSLSVJLKUBJ-CQSZACIVSA-N 420.541 3.058 0 40 HGAB COc1ccc(CNC(=O)C[C@H]2CCCCN2S(=O)(=O)c2cccs2)cc1 15391325 IBMLFZMGYFMQBZ-MRXNPFEDSA-N 408.545 3.006 0 40 HGAB CCCS(=O)(=O)N1CCCc2ccc(NC(=O)COc3ccccc3F)cc21 17286484 RAWIJNCLROEGJH-UHFFFAOYSA-N 406.479 3.336 0 40 HGAB COCCN1CC[C@@]2(CN(Cc3ccc(F)c(F)c3)C[C@@H]2c2ccccc2)C1=O 2055772889 RRDZRMQGHUBPLO-XXBNENTESA-N 400.469 3.429 0 40 HGAB CS(=O)(=O)c1ccc(CCC(=O)NCc2ccnc(-c3cccs3)c2)cc1 225650943 YMSDRJFGODSXOI-UHFFFAOYSA-N 400.525 3.463 0 40 HGAB O=C(NCC[C@@H](CCO)c1ccccc1)C(=O)Nc1ccc(OC(F)(F)F)cc1 206629870 BYCFOFJMAAAELR-HNNXBMFYSA-N 410.392 3.196 0 40 HGAB COc1ccc(Br)c(C(=O)N2CC[C@@H](Oc3cc(C)oc(=O)c3)C2)c1 218892153 JWAUPXVDBVUDHF-CYBMUJFWSA-N 408.248 3.013 0 40 HGAB O=C(NCCN1CCc2ccccc2C1)c1ccccc1I 30363354 NPAMXUWDXKCYSD-UHFFFAOYSA-N 406.267 3.079 0 40 HGAB Nc1nccnc1C(=O)NC[C@H](c1ccc(Cl)cc1)N1CCc2sccc2C1 40112511 DNSKRAQGEOSUNH-MRXNPFEDSA-N 413.934 3.303 0 40 HGAB CC(C)CS(=O)(=O)CC(=O)Nc1ccnn1Cc1c(Cl)cccc1Cl 40131954 DIOMGRPTKCGFEY-UHFFFAOYSA-N 404.319 3.248 0 40 HGAB Cc1nn(-c2ncnc3[nH]cnc23)c2c1[C@H](c1cccc(OC(C)C)c1)CC(=O)N2 31811180 HRRSJXVUQSKOCS-HNNXBMFYSA-N 403.446 3.108 0 40 HGAB COc1ccc(OC)c(C2=NO[C@@H]3C(=O)N(c4ccc5ccccc5c4)C(=O)[C@H]23)c1 101278686 YYBFDUOCXMJULV-CTNGQTDRSA-N 402.406 3.150 0 40 HGAB Cc1c(C(=O)OCC(=O)N2C[C@H](C)O[C@@H](C)C2)oc2ccc(Br)cc12 2649359 QZJRBHNRFMZSMG-QWRGUYRKSA-N 410.264 3.296 0 40 HGAB Cc1ccc2nc(-c3ccc(N4C(=O)C[C@H](N5CCOCC5)C4=O)cc3)sc2c1 2654799 HCVHNNNZEYHXQM-SFHVURJKSA-N 407.495 3.236 0 40 HGAB Cc1nc(NCCc2ccc(S(N)(=O)=O)cc2)c2c3c(sc2n1)C[C@@H](C)CC3 3325662 BSCBBAVNTGOPDH-LBPRGKRZSA-N 416.572 3.427 0 40 HGAB Cc1cc(C(=O)COC(=O)C2CC2)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O 3392716 CRZIFHLQAXCGPL-UHFFFAOYSA-N 407.470 3.028 0 40 HGAB CN(C)[C@@H](CNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cccs1)c1ccco1 3417345 IWNJTXQTRJDTOB-MSOLQXFVSA-N 411.527 3.101 0 40 HGAB COc1ccc(CN(C(=O)c2ccc(OC(C)C)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 4182953 VQANRAUHNNEKMP-LJQANCHMSA-N 417.527 3.312 0 40 HGAB CCc1nnc(NC(=O)CSc2nnc(Cc3ccc(OC)cc3)n2CC)s1 4814697 XZUMZVUDORWSGC-UHFFFAOYSA-N 418.548 3.042 0 40 HGAB CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)OCc2ccc(F)cc2)c1 4893657 RNXBQFLPBNACIE-UHFFFAOYSA-N 406.479 3.033 0 40 HGAB COc1ccc(NC(=O)CSc2nc(=O)n(Cc3ccco3)c3c2CCC3)cc1 4940049 LAXABIXRALWHMF-UHFFFAOYSA-N 411.483 3.113 0 40 HGAB CC(=O)N1CCN(c2ccc(NC(=O)CCn3c(C)nc4ccccc43)cc2)CC1 5210336 LNVZEFRYYKSSFG-UHFFFAOYSA-N 405.502 3.042 0 40 HGAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)Cc1c(Cl)cccc1Cl 5615780 CPCCIAVOSCPEHU-UHFFFAOYSA-N 417.314 3.434 0 40 HGAB CCOC(=O)CN1C(=O)S/C(=C\c2ccc(OC)c(Br)c2)C1=O 5869599 WQPWPVYVZAJWHI-GHXNOFRVSA-N 400.250 3.057 0 40 HGAB COc1ccc(S(=O)(=O)Nc2ccc(C(=O)OC(C)C)cc2)cc1NC(C)=O 6316248 SEFWPNSUYSEDFL-UHFFFAOYSA-N 406.460 3.020 0 40 HGAB O=C(Nc1ccccc1OC(F)F)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 6329574 ADLCEIPIYKITFV-LBPRGKRZSA-N 404.369 3.051 0 40 HGAB CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc3c(c2)OCCCO3)c1 6579026 PRKAHJUBJUDNAX-UHFFFAOYSA-N 410.879 3.004 0 40 HGAB CC(C)[C@@H](NC(=O)CNC(=O)c1ccccc1Cl)c1ccc2c(c1)OCCO2 8124546 ASSUVNGJVQEEEM-HXUWFJFHSA-N 402.878 3.355 0 40 HGAB Cn1nc(C(=O)NC[C@H](c2ccccc2Cl)N2CCCC2)c2ccccc2c1=O 8168850 CVAHEJDCVFHAKB-LJQANCHMSA-N 410.905 3.154 0 40 HGAB O=C(CN1C(=O)S/C(=C\C=C\c2ccco2)C1=O)N1CCN(c2ccccc2)CC1 8767395 BXZULJYVPUWBIW-JEGATTRHSA-N 423.494 3.221 0 40 HGAB CC(=O)[C@@H]1[C@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=NN12 8768038 KYMCRXNRHMJWMS-MYDTUXCISA-N 409.445 3.307 0 40 HGAB Cc1ccc(S(=O)(=O)N2CN(C[C@@H]3CCCO3)c3nc4ccccc4nc32)cc1C 8836457 ITLGJAVOYNDYEY-KRWDZBQOSA-N 424.526 3.398 0 40 HGAB O=S(=O)(NC[C@@H](c1ccsc1)N1CCCCCC1)c1ccc2c(c1)OCCO2 8901319 PSJRKSMQNVCDFI-SFHVURJKSA-N 422.572 3.415 0 40 HGAB COc1cc2oc(=O)c(CC(=O)N(C)CCc3ccccn3)c(C)c2cc1Cl 9060747 AUJZYNLSKGRLMN-UHFFFAOYSA-N 400.862 3.402 0 40 HGAB C[C@@H](OC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)C(=O)NC1CCCC1 9702595 DFJAOAMUAUJFPV-CQSZACIVSA-N 412.486 3.219 0 40 HGAB O=C(c1ccc(N2CCCCC2=O)cc1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 9993346 NULQVWLMQUJWTG-UHFFFAOYSA-N 418.497 3.324 0 40 HGAB O=C(c1ccc(Cl)cc1)N1CCCC[C@@H](Sc2nc3ncccn3n2)C1=O 10074180 OBABSPLLSGIRJY-CQSZACIVSA-N 401.879 3.091 0 40 HGAB COc1cc(C(=O)NCCCNC(=O)c2cc3ccccc3o2)cc(OC)c1OC 10313414 AZKFHJCUYNOTKI-UHFFFAOYSA-N 412.442 3.009 0 40 HGAB O=C(OCc1nc2ccccc2o1)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 10777175 FDCDXHIHLYBPDI-AWEZNQCLSA-N 418.446 3.111 0 40 HGAB Cn1/c(=N\C(=O)[C@@H]2COc3ccccc3O2)sc2cc(Br)ccc21 11726301 DTMOMSWLWQBVIK-HMWBCQRISA-N 405.273 3.270 0 40 HGAB COc1cccc(OC)c1CNC(=O)[C@H]1[C@@H]2[C@H]1CC[C@@]21CC(=O)c2ccccc2O1 12122376 RDIRINWVFVEDCU-KKWLSJBDSA-N 407.466 3.380 0 40 HGAB CCn1c(N2CCN(C(=O)C(C)(C)C)CC2)nc2sc3c(c2c1=O)CCCC3 12406673 APYGOKWWVBFEDO-UHFFFAOYSA-N 402.564 3.051 0 40 HGAB COc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccccc4C)ccn3n2)cc1OC 12414490 UNSOXHYFFGVEOU-UHFFFAOYSA-N 418.453 3.127 0 40 HGAB CCOC(=O)C1=C(CN(C)Cc2ccccc2N2CCCCC2)NC(=O)N[C@H]1CC 12637117 AZKYCFYVAZYGNW-SFHVURJKSA-N 414.550 3.017 0 40 HGAB COc1ccc(-c2noc(CN(C)C(=O)c3occc3Br)n2)cc1OC 12654875 HFPYRCOORHZNMC-UHFFFAOYSA-N 422.235 3.382 0 40 HGAB CCOC(=O)c1ccsc1NC(=O)CN1C(=O)[C@@H](C)N(c2ccc(C)cc2)C1=O 12822219 SWOQZYAUEJBHBB-CYBMUJFWSA-N 415.471 3.029 0 40 HGAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)OC(=O)CCn1cnc2sccc2c1=O 12876646 JVRIAEPVVFJKNN-CYBMUJFWSA-N 409.467 3.452 0 40 HGAB C[C@H](c1nc(C(C)(C)C)no1)N1CCN(C(=O)c2ccccc2OC(F)F)CC1 12904461 OLIKSFOETLGJSW-CYBMUJFWSA-N 408.449 3.488 0 40 HGAB COc1ccc(C(=O)O)cc1S(=O)(=O)Nc1ccc(Br)cc1C 13361032 LJRPSPRNEZICLF-UHFFFAOYSA-N 400.250 3.265 0 40 HGAB COc1ccc(N(C)S(=O)(=O)c2ccsc2C(=O)n2nc(C)cc2C)cc1 13363132 XBVDHPPWUZBDNJ-UHFFFAOYSA-N 405.501 3.084 0 40 HGAB C[C@@H](SC1=N[C@H](c2c[nH]c3ccccc23)NC(N)=N1)C(=O)N1CCc2ccccc21 13579104 MNGDBVFBOPWMRL-BFUOFWGJSA-N 418.526 3.151 0 40 HGAB COc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccc(O)cc4)[C@H]3C2=O)cc1 13645544 CSAGVHLTZREPBO-FSSWDIPSSA-N 416.433 3.452 0 40 HGAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2 14594867 CRXXCVJXUKRFRF-SNVBAGLBSA-N 416.455 3.175 0 40 HGAB C[C@H](NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)c1ccccc1Br 15686783 OHDPGBMTCBTGJN-VIFPVBQESA-N 417.712 3.241 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)Cc1c[nH]c2ccccc12 15711644 CDTVWPNPUBXVBJ-UHFFFAOYSA-N 411.527 3.330 0 40 HGAB Cc1cnc(C(=O)N[C@@H](Cc2cc(N(C)C)nc(C3CC3)n2)c2ccccc2)cn1 19238969 WIFAWODDHNWDFU-IBGZPJMESA-N 402.502 3.232 0 40 HGAB COc1ccc([C@@H]2c3nc[nH]c3CCN2C(=O)c2cc(C)nc3c2c(C)nn3C)cc1 19662752 KZKQKXSNOJQDFE-OAQYLSRUSA-N 416.485 3.105 0 40 HGAB COc1ccc(NC(=O)C[C@H]2C(=O)N(C[C@H]3CCCO3)c3nc4ccccc4n32)cc1 19817525 RDKDDEUEQQYNOC-XLIONFOSSA-N 420.469 3.140 0 40 HGAB CC(C)Cn1c(N2CCN(C(=O)C(C)C)CC2)nc2sc3c(c2c1=O)CCCC3 20744496 SLWGYWFJYCMLIZ-UHFFFAOYSA-N 416.591 3.297 0 40 HGAB O=C(COC(=O)C1(c2ccccc2)CCC1)N1CCN(C(=O)Nc2ccccc2)CC1 21739089 BROYDSJEHJJFGB-UHFFFAOYSA-N 421.497 3.028 0 40 HGAB Cc1ccc(N(CC(=O)N[C@H]2CC(C)(C)Oc3ccccc32)S(C)(=O)=O)cc1 22327806 SBXWBANTMCTADL-SFHVURJKSA-N 402.516 3.180 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)OCCOc3ccccc3)CC2)cc1C 23074624 ZUDFELGJLNWZQJ-UHFFFAOYSA-N 417.527 3.326 0 40 HGAB O=C(CSc1nnnn1-c1ccc(Cl)cc1)Nc1cccc2nsnc12 23407423 JRJMYQMGNNJPFI-UHFFFAOYSA-N 403.880 3.051 0 40 HGAB CCc1c(C(=O)NCC(C)(C)N2C[C@H](C)O[C@H](C)C2)cnn1-c1ccc(F)cc1 24690556 MHWRJUSVSOWJFG-IYBDPMFKSA-N 402.514 3.191 0 40 HGAB Cc1ccc(C(=O)N2CCC[C@@H](C(=O)NCCn3c(C)nc4ccccc43)C2)cc1 25067306 MICQLKNDRRWUHE-HXUWFJFHSA-N 404.514 3.322 0 40 HGAB Cc1nc(SC(F)F)[nH]c(=O)c1CCC(=O)Nc1ccccc1N1CCCC1=O 25463132 AWHYZEMRRCQMTF-UHFFFAOYSA-N 422.457 3.091 0 40 HGAB C/C=C\C1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)[C@H](N)[C@@H]2SC1 26892925 KGHADALWBFAJHM-VYKGTXBGSA-N 406.507 3.392 0 40 HGAB CN(Cc1ccccc1Br)C(=O)COc1ccc2c(c1)CCC(=O)N2 30896645 FFWLAIKZWIQNQO-UHFFFAOYSA-N 403.276 3.371 0 40 HGAB O=C(CN1C(=O)COc2cc(Br)ccc21)N[C@@H](c1ccccc1)C1CC1 31749424 MSBDCIAKCITLTC-FQEVSTJZSA-N 415.287 3.442 0 40 HGAB COc1ccc(CN(C)C(=O)CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1F 32738501 POMUIVQBEPRNDX-UHFFFAOYSA-N 419.928 3.264 0 40 HGAB CC(C)[C@@H](NC(=O)c1cccc(N2C(=O)CCC2=O)c1)c1ccc2c(c1)OCCO2 32740877 RCWWPQPDUMRMBP-JOCHJYFZSA-N 408.454 3.238 0 40 HGAB Nc1c(Cl)c(Cl)nc(C(=O)OCC(=O)NCCc2ccccc2)c1Cl 32911264 FVMUYURTHVJFDH-UHFFFAOYSA-N 402.665 3.140 0 40 HGAB Cn1c(SCC(=O)NC2CCCCC2)nnc1-c1ccc2c(c1)OCCCO2 33087486 UWIOWMQCPXSNLV-UHFFFAOYSA-N 402.520 3.184 0 40 HGAB COc1ccc(CNC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2c2nc3ccccc3c(=O)[nH]2)cc1 35313950 VRPOFNYIMQADJP-LXDRIQHSSA-N 401.466 3.154 0 40 HGAB C[C@@H]1Cc2ccccc2N1C(=O)CSc1nnc(NC(=O)c2ccco2)s1 35314043 TWVKLODQSQVMAC-LLVKDONJSA-N 400.485 3.453 0 40 HGAB COc1ccc(-n2nc(C)c3c(C(=O)NCc4cnn(C)c4C)cc(C)nc32)cc1 36616378 KYKPXXWOVYKGOY-UHFFFAOYSA-N 404.474 3.018 0 40 HGAB CC(C)COc1ccc(S(=O)(=O)NCCN2CCO[C@H](c3ccccc3)C2)cc1 36700194 ATVFMWNPEYYRPV-QFIPXVFZSA-N 418.559 3.073 0 40 HGAB Cc1ccc(-n2cnnc2SCC(=O)N2CCN(CC(C)C)CC2)cc1Cl 40086784 MFQOHXVMLQHJKV-UHFFFAOYSA-N 407.971 3.121 0 40 HGAB Cc1ccccc1Cc1cnc(NC(=O)CCn2nnc3ccccc3c2=O)s1 40111738 NHPOGCOZGXTNFE-UHFFFAOYSA-N 405.483 3.176 0 40 HGAB CC(=O)c1ccc(S(=O)(=O)NCC2CCN(C(=O)Oc3ccccc3)CC2)cc1 43957119 WWOGDKDWNYPCTQ-UHFFFAOYSA-N 416.499 3.079 0 40 HGAB CSc1ncccc1C(=O)N1CCC(CNC(=O)Cc2ccc(F)cc2)CC1 44001378 SJLUEBQMEORDAY-UHFFFAOYSA-N 401.507 3.154 0 40 HGAB Cc1nc2c(c(=O)n1CC(=O)Nc1cc(F)cc(F)c1)CN(Cc1ccccc1)CC2 49400855 MDVBHSSQAIXKKH-UHFFFAOYSA-N 424.451 3.027 0 40 HGAB COC(=O)C1=C(CN2CCc3ccccc3C2)NC(=O)N[C@H]1c1cccc(Cl)c1 57415045 PIDZIGOBUZKJSV-FQEVSTJZSA-N 411.889 3.179 0 40 HGAB Cc1ccc(-n2c(=O)c3sccc3n(CC(=O)Nc3ccccc3)c2=O)cc1C 57491179 PCICABRPJGVEFU-UHFFFAOYSA-N 405.479 3.469 0 40 HGAB COc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)N(C)Cc1cscn1 58162519 OUVBMTDXFZYPQO-UHFFFAOYSA-N 421.478 3.220 0 40 HGAB CS(=O)(=O)Nc1cc(C(=O)NCCc2cccc3cccnc23)ccc1Cl 62580378 MEZJROVZKKZKNF-UHFFFAOYSA-N 403.891 3.232 0 40 HGAB COc1ccc(C)cc1NC(=O)C(=O)NCC1CCN(c2nc3ccccc3o2)CC1 70900979 RKHFIHNKMFZXSH-UHFFFAOYSA-N 422.485 3.116 0 40 HGAB CCNS(=O)(=O)c1cccc(C(=O)N2CC(OCc3cccc4ccccc34)C2)c1 72306724 GYRGLUHWBZAGBA-UHFFFAOYSA-N 424.522 3.179 0 40 HGAB COc1cccc(CC(=O)N2CCC([C@@H]3C[C@H](C(F)(F)F)n4ncnc4N3)CC2)c1 72395575 WGJGJLNCRYZEFB-DLBZAZTESA-N 423.439 3.056 0 40 HGAB CCOC(=O)[C@@H]1Oc2c(c(=O)oc3ccccc23)[C@H]1c1cc2ccccc2[nH]c1=O 79190156 TZGXCSXIGQOZOY-YLJYHZDGSA-N 403.390 3.091 0 40 HGAB biogenic COC(=O)c1cccc(NC2CCN(C(=O)c3ccc(-c4ccco4)[nH]c3=O)CC2)c1 89406947 RFSRWVVQWCJLMZ-UHFFFAOYSA-N 421.453 3.138 0 40 HGAB Cc1ccc([C@H](CCn2cncn2)NCc2ccccc2CN2CCC(O)CC2)cc1 95940800 OQVCTCBLTZPUMO-VWLOTQADSA-N 419.573 3.464 0 40 HGAB COCc1nn2c(O)cc(C[C@H](C)n3nc(C)nc3C)nc2c1-c1ccc(OC)cc1 100776488 ACNYKZRMGDDDOE-ZDUSSCGKSA-N 422.489 3.269 0 40 HGAB Cn1/c(=N\C(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)sc2ccccc21 104992668 XRJORGNZPAOIGB-QZQOTICOSA-N 415.540 3.156 0 40 HGAB O=C(NCc1nc(-c2ccccc2Cl)no1)c1cccc(CN2CCOCC2)c1 219248501 IXQYECYBIKEDSY-UHFFFAOYSA-N 412.877 3.152 0 40 HGAB Cc1ccc([C@@H](C)NC(=O)CN(c2cccc(OC(C)C)c2)S(C)(=O)=O)cc1 220112489 GWWXQIKNMYXLPP-QGZVFWFLSA-N 404.532 3.426 0 40 HGAB C[C@@H](C(=O)Nc1cccc(Br)c1)N(c1ccccc1F)S(C)(=O)=O 220294544 QAGCZTYAVYPJDX-NSHDSACASA-N 415.284 3.381 0 40 HGAB CSc1nnc(NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)s1 224368514 PLZZTVWPEKWSAH-UHFFFAOYSA-N 406.514 3.313 0 40 HGAB CCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CCc1ccc2c(c1)OCO2 224628310 GPJVOVDUJRPUKW-HXUWFJFHSA-N 410.514 3.334 0 40 HGAB COc1cc(C)c(S(=O)(=O)N(C)Cc2nc(-c3ccc(C)cc3)no2)c(C)c1 224731541 SKQOLDFPQFIDPS-UHFFFAOYSA-N 401.488 3.491 0 40 HGAB COC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(SC)cc1 224982963 ZCWIRVXVRQNHDK-UHFFFAOYSA-N 415.920 3.439 0 40 HGAB CC1CCN(c2cc(Sc3ncccn3)nc(NC(=S)NC3CC3)n2)CC1 226003609 PHFJSVNMYASSPT-UHFFFAOYSA-N 401.565 3.103 0 40 HGAB CCOC[C@]1(N)[C@@H](c2ccc(Br)cc2)[C@H]1S(=O)(=O)c1ccc(C)cc1 242648342 QTBIGFUQEKULKR-OTWHNJEPSA-N 424.360 3.431 0 40 HGAB COc1ccccc1-c1cccc(C[C@@]2(C(=O)NCCn3ccnc3)CCCO2)c1 257225678 FHHNWFXXFRIEFP-XMMPIXPASA-N 405.498 3.467 0 40 HGAB NC(=O)C[C@H]1CN(C(=O)COc2ccc(F)cc2)CC[C@@H]1Oc1cccc(Cl)c1 257260123 LBJTZQSQTAHZLT-LIRRHRJNSA-N 420.868 3.029 0 40 HGAB CCCCCNC(=O)COc1ccc(S(=O)(=O)N2CCCCC2)cc1Cl 408531264 MNTFMGGUOYEWNB-UHFFFAOYSA-N 402.944 3.200 0 40 HGAB COc1ccc(C(=O)N2CCN([C@H](CCC(=O)O)c3ccccc3)CC2)cc1OC 408605892 HDOWGDKFVKTHEB-LJQANCHMSA-N 412.486 3.068 0 40 HGAB OC1(CN2CCOC[C@@](O)(COc3ccc(F)c(Cl)c3)C2)CCCCCC1 585284665 YZUZBVUHRSKNJG-HXUWFJFHSA-N 401.906 3.007 0 40 HGAB NC(=O)c1ccccc1Oc1ccc(NC(=O)N[C@H](C2CC2)[C@H](CO)C2CC2)cc1 1669172993 XQRQULAZANRILP-TZIWHRDSSA-N 409.486 3.496 0 40 HGAB CC[C@@H]1CN(C(=O)NCCc2cccs2)[C@H](CO)[C@@H]1CN1CCC(F)(F)CC1 1772594873 CMYDSWUIYGISEX-KBAYOESNSA-N 415.550 3.050 0 40 HGAB O=S(=O)(c1cccc2cccnc12)N1CC(Oc2ccnc(C(F)(F)F)c2)C1 1775973527 FEWHKGBUYDRGFE-UHFFFAOYSA-N 409.389 3.101 0 40 HGAB O=C1C[C@H](C(=O)NCCc2cc(Cl)c3c(c2)OCCO3)c2ccc(F)cc2N1 11747649 KOSYRBYNGDKVBB-AWEZNQCLSA-N 404.825 3.035 0 40 HGAB CCOC(=O)c1sc(N(Cc2ccccc2)C(=O)CSc2ncn[nH]2)nc1C 8687117 SZVPRRWISANERO-UHFFFAOYSA-N 417.516 3.072 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cc(C)ccc3OC)C2)cc1 1363339 DQUQUAXELDHSKB-INIZCTEOSA-N 418.515 3.052 0 40 HGAB CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)COC(=O)c2ccc3c(c2)NC(=O)CS3)C1 102019562 CLBGWMLNIBHQIP-LHSJRXKWSA-N 402.516 3.315 0 40 HGAB O=C(C[C@@H]1CCS(=O)(=O)C1)NCc1cn(Cc2ccccc2)nc1-c1ccccc1 32893689 GZWYURZRGXRJAF-IBGZPJMESA-N 423.538 3.039 0 40 HGAB O=C(c1cncnc1)N1C[C@@H]2C[C@H](C1)c1c(-c3ccc(Cl)cc3)ccc(=O)n1C2 4260406 HKMHRUHZLWDFFL-GOEBONIOSA-N 406.873 3.218 0 40 HGAB biogenic,in-vitro CCC(=O)Nc1ccc(S(=O)(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1 4315027 OKXIFEFIUBQYLQ-UHFFFAOYSA-N 412.515 3.480 0 40 HGAB CC[C@@H](c1nnc(SCC(=O)N2CCCCC2)n1Cc1ccccc1)N(C)C 4494593 AHXHUYONLCRONS-SFHVURJKSA-N 401.580 3.444 0 40 HGAB O=C1CC2(CCN(C(=O)[C@@H]3CC(=O)N(c4ccccc4)C3)CC2)Oc2ccccc21 4505640 DQJNKJQAWYIYHQ-QGZVFWFLSA-N 404.466 3.066 0 40 HGAB CN(C)c1cccc(C(=O)NC[C@H](c2cccnc2)S(=O)(=O)c2ccccc2)c1 11907121 MWFPYFWCOKRVGS-OAQYLSRUSA-N 409.511 3.093 0 40 HGAB Cc1cc(C)c(NC(=O)C[S@@](=O)CC(=O)N[C@H]2CCCc3ccccc32)c(C)c1 4906776 XGGOJNUNMUWLIQ-AFJIDDCJSA-N 412.555 3.493 0 40 HGAB CC(=O)Nc1ccc(NC(=O)CCc2ccc(S(=O)(=O)NCC(C)C)cc2)cc1 6326702 QBHRROVBZVMQBL-UHFFFAOYSA-N 417.531 3.151 0 40 HGAB O=C(CN1C(=O)COc2ccc(Cl)cc21)N1CCc2cc(Br)ccc21 9235202 HBVVKGKCKQYADW-UHFFFAOYSA-N 421.678 3.417 0 40 HGAB CC(C)(C)NC(=O)COc1ccc(N(Cc2ccc(F)cc2)S(C)(=O)=O)cc1 22232450 RVGZUYHJXWTAJJ-UHFFFAOYSA-N 408.495 3.085 0 40 HGAB O=C(NCCNC(=O)c1nc(-c2ccc(C(F)(F)F)cc2)no1)c1ccc(F)cc1 12374744 QJHQUKASPBHSPK-UHFFFAOYSA-N 422.338 3.054 0 40 HGAB O=C(NCC(=O)N1CCN(Cc2ccsc2)CC1)c1ccc(-c2ccccc2)cc1 23866572 OOZJGQDTXLHHLJ-UHFFFAOYSA-N 419.550 3.489 0 40 HGAB C[C@@H](NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)c1cccnc1 8026144 ZOXLTAVNYARVQQ-GOSISDBHSA-N 409.511 3.150 0 40 HGAB CN(C[C@H]1COc2ccccc2O1)C(=O)CNC(=O)c1ccc(-c2ccccc2)cc1 24662165 AXYYBKYGODKEHB-NRFANRHFSA-N 416.477 3.382 0 40 HGAB Cc1cc(OCC(=O)N2N=C(C(F)(F)F)C[C@]2(O)C(F)(F)F)ccc1Cl 59192150 CTLWIIUIPCVHQS-LBPRGKRZSA-N 404.694 3.429 0 40 HGAB O=C([C@@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1)N1CCN(c2ccccc2)CC1 3007771 HPSZAUGORAAUGH-OAHLLOKOSA-N 401.869 3.181 0 40 HGAB COc1cccc(C2=NO[C@H]3C(=O)N(c4ccc(Cl)cc4Cl)C(=O)[C@H]23)c1OC 102558966 SDEUKQBEQZDDCN-RHSMWYFYSA-N 421.236 3.303 0 40 HGAB O=C(CCCCCN1C(=O)c2ccccc2C1=O)NCCc1nc2ccccc2[nH]1 1750499 JKETZAPTOZAYCV-UHFFFAOYSA-N 404.470 3.078 0 40 HGAB Cc1cc(C(=O)NCCCn2ccc3ccccc32)cc(S(=O)(=O)N(C)C)c1C 12563680 OYGQZBCCGJULCF-UHFFFAOYSA-N 413.543 3.329 0 40 HGAB Cc1cc(F)ccc1NC(=O)Cn1c(=O)n(-c2ccccc2)c(=O)c2sccc21 57428919 MBAZSMNCJYNKDN-UHFFFAOYSA-N 409.442 3.300 0 40 HGAB O=C(NCc1ccccc1Cn1cccn1)c1cccc(I)c1 10234946 HJNFOJBKWOJTPZ-UHFFFAOYSA-N 417.250 3.466 0 40 HGAB CC(C)n1cnc2nc(COc3ccc(NC(=O)c4ccccc4)cc3)cc(=O)n21 21796940 VLUFKSJDZQNKEX-UHFFFAOYSA-N 403.442 3.303 0 40 HGAB CC(C)c1cc2c(=O)[nH]c(CSCC(=O)N=c3[nH]c4ccccc4[nH]3)nc2s1 36366735 YCAGKBVICPHHEX-UHFFFAOYSA-N 413.528 3.278 0 40 HGAB Cc1cc(Br)ccc1NC(=O)CN(C)S(=O)(=O)c1cccs1 2467625 WCUIYEPLGZLKES-UHFFFAOYSA-N 403.323 3.078 0 40 HGAB O=C(COC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)Nc1ccc(Cl)cc1F 3369056 RVBWWQGFUCGILO-AWEZNQCLSA-N 404.825 3.010 0 40 HGAB C[C@@H]1CCC[C@@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)[C@@H]1C 12740154 TZOKBTIMPLNCKU-PJIJBLCYSA-N 414.518 3.306 0 40 HGAB COc1ccccc1CN(C)C(=O)C[S@](=O)Cc1cccc(Br)c1 12876855 JSCYXTYWYOVBSX-DEOSSOPVSA-N 410.333 3.365 0 40 HGAB C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1ccccc1C(=O)c1ccccc1)C2=O 3407980 NDBFOMOIJSKSJM-UPCLLVRISA-N 419.481 3.357 0 40 HGAB Cc1cccc(-c2nnc([C@H](C)N3CCN(S(=O)(=O)c4ccccc4)CC3)o2)c1 38270996 NWAMUPVISAWHPO-KRWDZBQOSA-N 412.515 3.113 0 40 HGAB COc1ccccc1CNC(=O)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 6288724 OGGBYHUTJPYSAF-DTQAZKPQSA-N 414.527 3.024 0 40 HGAB COCCCn1c(C(=O)Nc2cccc(OC)c2)cc2c(=O)n3cccc(C)c3nc21 5306164 FIECAUHVDBAWEM-UHFFFAOYSA-N 420.469 3.255 0 40 HGAB COc1ccc(C)cc1[C@@H](C)NC(=O)[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(C)C 14183531 LZSNDQQHAYWWRQ-UTKZUKDTSA-N 418.559 3.492 0 40 HGAB C[C@@H](CCc1ccccc1)NC(=O)COC(=O)C[C@@H]1Sc2ccccc2NC1=O 4546868 DEDIPKKLJKANPM-KXBFYZLASA-N 412.511 3.170 0 40 HGAB CC(C)Cn1c(CCC(N)=O)nnc1SCc1cc(Cl)c2c(c1)OCCCO2 14251892 QKZNKBAQYHGXIG-UHFFFAOYSA-N 424.954 3.459 0 40 HGAB COC(=O)CN1C(=O)S/C(=C/c2ccccc2OCCOc2ccccc2)C1=O 4698770 SELOURMNILWAPB-QGOAFFKASA-N 413.451 3.354 0 40 HGAB CC(C)CCNC(=O)CCc1nnc2n(Cc3ccccc3)c(=O)c3ccccc3n12 6803068 OKJYNMAXUXKIGW-UHFFFAOYSA-N 417.513 3.187 0 40 HGAB COc1ccc(NC(=O)c2cccc(N(C)C)c2)cc1S(=O)(=O)N1CCCCC1 4900122 SFTHNMAOMBUPEF-UHFFFAOYSA-N 417.531 3.188 0 40 HGAB Cc1ccccc1CNC(=O)CCCNS(=O)(=O)c1cccc(C(F)(F)F)c1 9516866 NNXJOOQVIHFGFS-UHFFFAOYSA-N 414.449 3.389 0 40 HGAB O=C(COC(=O)CCS(=O)(=O)c1ccc(Cl)cc1)Nc1ccccc1Cl 9525838 CGNSAKHIDZIEFZ-UHFFFAOYSA-N 416.282 3.339 0 40 HGAB O=C1N[C@H](Cc2c[nH]c3ccccc23)C(=O)N1Cc1nc(-c2ccc(F)cc2)no1 9584305 XHZPCERBIAPMAO-QGZVFWFLSA-N 405.389 3.020 0 40 HGAB O=C(COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)NCc1ccccc1 408530423 KYGNTGYXBNPENU-UHFFFAOYSA-N 422.506 3.133 0 40 HGAB COC(=O)[C@@H](C)[C@@H](NCC(=O)NCCc1nc2ccccc2s1)c1ccccc1 79025859 NKRXCDKUDXPWOC-YCRPNKLZSA-N 411.527 3.095 0 40 HGAB COc1cccc(C(=O)N(C)C[C@H](O)COc2ccc(C(F)(F)F)cc2)c1OC 72310404 HIQKILVWEOWHLY-AWEZNQCLSA-N 413.392 3.235 0 40 HGAB CC(C)(C)OC(=O)N1CCC[C@H](COCC(=O)Nc2cccc(-c3nnco3)c2)C1 95984279 AKCOACOJCLPPRB-HNNXBMFYSA-N 416.478 3.339 0 40 HGAB COc1ccc(CCNC(=O)N(C)Cc2ccc(OC)c(OC)c2OC)cc1OC 24924092 WZAJNUQQDVNKBD-UHFFFAOYSA-N 418.490 3.114 0 40 HGAB CCOC(=O)c1cccc(NC(=O)COCc2cc(-c3ccc4c(c3)OCO4)on2)c1 20169066 OQFKHZKEAGBYAL-UHFFFAOYSA-N 424.409 3.402 0 40 HGAB O=C(Cn1cc(C(=O)C(=O)N2CCCCC2)c2ccccc21)NCc1cccs1 408577472 ZPTWUMJTSUWZHQ-UHFFFAOYSA-N 409.511 3.214 0 40 HGAB Cc1cc2nc(SCC(=O)NCc3ccc(F)cc3F)n(C(C)C)c(=O)c2[nH]1 67236175 BTUCCVVUKNARIO-UHFFFAOYSA-N 406.458 3.301 0 40 HGAB O=C(O)[C@H](Cc1ccccc1)N1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S 35648946 HUFJVRJMICCPTC-FBJMNJBLSA-N 413.476 3.312 0 40 HGAB COc1ccc(CN2C[C@@H]3[C@H](C2)[C@H](Oc2ccc(C)cc2)CCS3(=O)=O)cc1 306123822 AXWJJMJYGUARFQ-YPAWHYETSA-N 401.528 3.070 0 40 HGAB COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(OC(C)C)cc2)C1=O 409235551 CBCYHVLMMRAFDP-LDADJPATSA-N 409.442 3.014 0 40 HGAB COc1cc2c(cc1OC)[C@@H](NC(=O)Cc1c(C)c3ccc(O)cc3oc1=O)CC2 524730961 DSHVQDBXOWTIES-SFHVURJKSA-N 409.438 3.170 0 40 HGAB biogenic Cc1nn(-c2ccc3nncn3n2)c2c1[C@@H](c1ccc(OCC(C)C)cc1)CC(=O)N2 33271341 MHUDFCPMOKKHED-QGZVFWFLSA-N 417.473 3.127 0 40 HGAB CNc1cc(Nc2nccc([C@H]3CCCN(C(=O)c4ccc(F)cc4)C3)n2)ncn1 72377528 ZHKHLFBEFFQDNN-HNNXBMFYSA-N 407.453 3.211 0 40 HGAB O=C(Cn1c(=O)nc(-c2ccccc2)c2ccccc21)N1CCN(c2ccccc2)CC1 33048898 DSRXNXPGAJTODC-UHFFFAOYSA-N 424.504 3.412 0 40 HGAB COC(=O)[C@@H](CNc1ccc(F)cc1S(=O)(=O)C(F)(F)F)c1ccccc1 78903465 FGOFAQQMSAGIPK-ZDUSSCGKSA-N 405.369 3.488 0 40 HGAB CCS(=O)(=O)c1ccc(CNC(=O)C2(c3ccc(C)cc3)CCOCC2)cc1 561895987 CLARGAUGRMPSFN-UHFFFAOYSA-N 401.528 3.153 0 40 HGAB CCCn1cnc2nc(COc3ccccc3NC(=O)c3ccccc3F)cc(=O)n21 41077124 QGXRRYLPNYSDBQ-UHFFFAOYSA-N 421.432 3.271 0 40 HGAB O=C1C[C@H](C(=O)Nc2ccccc2)c2c(nc(Nc3ccc(Cl)cc3)[nH]c2=O)N1 40399160 AWTDEAHEWOKNPV-AWEZNQCLSA-N 409.833 3.231 0 40 HGAB COc1ccc([C@H](C)NC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)cc1F 40098440 WLGRWWMDTHAWPA-ZDUSSCGKSA-N 409.483 3.276 0 40 HGAB CNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CCc1ccc2c(c1)OCO2 222531454 KIGKZDLAWKMREJ-CQSZACIVSA-N 402.878 3.165 0 40 HGAB Cc1cc(C)cc(N([C@@H](C)C(=O)NCCc2ccc(Cl)cc2)S(C)(=O)=O)c1 223893066 LQZZRNDMGDSVSC-INIZCTEOSA-N 408.951 3.470 0 40 HGAB COCCCNC(=S)Nc1nc(N2CCCCCC2)cc(N2CCC(C)CC2)n1 225901097 VWHNUVSIRAYOLB-UHFFFAOYSA-N 420.627 3.416 0 40 HGAB COCCn1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c1C 223306496 WRNFINVZKZZPCA-YYWHXJBOSA-N 414.575 3.298 0 40 HGAB CCSc1nnc(NC(=O)[C@@H](C)N(c2cc(C)cc(C)c2)S(C)(=O)=O)s1 225868591 UWBJZRVLQVKENZ-GFCCVEGCSA-N 414.578 3.060 0 40 HGAB CCOc1cccc(NS(=O)(=O)c2nnc(NC(=O)c3ccccc3C)s2)c1 223712771 MFTOHQREKVOERG-UHFFFAOYSA-N 418.500 3.298 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2nc(-c3n[nH]c4ccccc34)no2)cc1 570550990 MBMBBQATSJHUSM-KRWDZBQOSA-N 409.471 3.447 0 40 HGAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)Cc1cccc(Br)c1 225619388 TYIMXEDGARBNSR-UHFFFAOYSA-N 408.248 3.434 0 40 HGAB CC1(C)Cc2cccc(OCC(=O)NCc3cccc(CN4CCCC4=O)c3)c2O1 40090848 QRNJRZWHOAMBHB-UHFFFAOYSA-N 408.498 3.218 0 40 HGAB Cc1cc(C)c([C@@H](C)NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)N(C)C)cc1C 223446546 KMTRWQRYLXZTPA-QGZVFWFLSA-N 421.538 3.241 0 40 HGAB CSCC[C@@H](NC(=O)CC1(n2cccc2)CCOCC1)c1nnc2ccccn12 575443959 CZQHMJOUCKUWLV-QGZVFWFLSA-N 413.547 3.037 0 40 HGAB Cc1[nH]nc(O)c1C(c1cc(Cl)cc(Br)c1O)c1c(O)n[nH]c1C 96193531 VBHLNESBTDUQRT-UHFFFAOYSA-N 413.659 3.463 0 40 HGAB Cc1cnc(CNC(=O)[C@@H]2Cc3nc(-c4ccsc4)sc3N2CC2CC2)cn1 96264448 VRECEGKKXQNYOR-KRWDZBQOSA-N 411.556 3.428 0 40 HGAB COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)Nc1nncs1)C(=O)OC2 96114570 XOOPBLDHJZMNGQ-ONNFQVAWSA-N 403.460 3.139 0 40 HGAB biogenic CN(C)c1ncc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)[C@H]3CCCO3)CC2)n1 257241411 HXYNTIKYOYMOCC-YVWKXTFCSA-N 409.534 3.174 0 40 HGAB COc1ccc([C@@H]2C[C@]3(C)NC(=O)CCC[C@@H]3N2CC(=O)NC2CCCCC2)cc1 257240820 HVHYUEZWWBDAGG-HFMPRLQTSA-N 413.562 3.318 0 40 HGAB C[C@H]1CN(c2ccc(NC(=O)NC[C@@H]3COc4ccccc4O3)cc2F)C[C@@H](C)O1 58404818 LEPQKQBQYULKRX-HLLBOEOZSA-N 415.465 3.401 0 40 HGAB CC(C)(C)c1ccc2nnc(C3CCN(C(=O)[C@@H]4COc5ccccc5C4)CC3)n2n1 585580954 DLHCEGCHWCUXNA-SFHVURJKSA-N 419.529 3.379 0 40 HGAB CCOC(=O)c1cnc(SCC(=O)Nc2c(Cl)cccc2Cl)nc1N 5969598 KKLJPSMRALELBA-UHFFFAOYSA-N 401.275 3.273 0 40 HGAB COc1ccc(CNC(=O)[C@H]2[C@@H]3[C@H]2CC[C@@]32CC(=O)c3ccccc3O2)c(OC)c1 12328317 PHXGGWLKETVAGS-CAYPQNLTSA-N 407.466 3.380 0 40 HGAB Cc1occc1-c1cc2nc3c(c(O)n2n1)CN(Cc1ccc2c(c1)CCO2)CC3 12667245 RBCGEOFCWNQKJD-UHFFFAOYSA-N 402.454 3.497 0 40 HGAB O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)Nc1cccc(C(=O)NC2CC2)c1 12926327 BGCCPUNOORLFMD-UHFFFAOYSA-N 406.269 3.254 0 40 HGAB Cc1ccc(NC(=O)CCNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1 13070187 XNQVHOBWJJQZGI-UHFFFAOYSA-N 402.394 3.201 0 40 HGAB CCOc1cccc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2OC)c1 13668820 KDLDIYVUSBYXMG-UHFFFAOYSA-N 404.488 3.131 0 40 HGAB C[C@H](Oc1cccc(F)c1)C(=O)N1CCN([C@@H](c2ccccc2)c2nccn2C)CC1 19079081 ROXDDMLFTRKKQE-AVRDEDQJSA-N 422.504 3.260 0 40 HGAB Cc1cc2ncn(CCC(=O)Nc3ccc4c(c3)CCN4S(C)(=O)=O)c2cc1C 19125240 QDVBKVMJZMKFDI-UHFFFAOYSA-N 412.515 3.004 0 40 HGAB O[C@H](CN1CCC[C@@](O)(c2ccc(F)cc2)CC1)c1ccc2c(c1)OCCCO2 19332958 FXGUBIVSHDAYFI-OFNKIYASSA-N 401.478 3.394 0 40 HGAB c1ccc(C(c2ccccc2)N2CCN(Cc3nnnn3Cc3ccco3)CC2)cc1 19369534 IKVRHYUFKFYQEF-UHFFFAOYSA-N 414.513 3.222 0 40 HGAB O=C(COc1ccccn1)NCCn1ncc(-c2ccncc2)c1-c1ccc(F)cc1 19402217 LLBBIBFUBAEXKV-UHFFFAOYSA-N 417.444 3.341 0 40 HGAB CCNC(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)CCCN(C(=O)[C@H]2CCCO2)C1 19528475 PNUHHILIPQBDKG-RDGATRHJSA-N 421.541 3.215 0 40 HGAB COc1ccc(-c2nc(C3CCN(C(=O)[C@@H]4CC=CCC4)CC3)[nH]c2C(N)=O)cc1 19698824 LKFKBMBKSKKKRK-QGZVFWFLSA-N 408.502 3.247 0 40 HGAB O=C(CN1CC[C@H](c2cc(COc3cccc(F)c3)[nH]n2)C1)NC1CCCCC1 19738950 WUFGHLVCPNVGDZ-INIZCTEOSA-N 400.498 3.366 0 40 HGAB O=C(CCCC(=O)N1CCN(c2cccc(Cl)c2)CC1)NC[C@H]1C[C@H]2C=C[C@@H]1C2 169680690 CINBZKSZUDJVRV-IPMKNSEASA-N 415.965 3.487 0 40 HGAB Cc1ccc2c(nc3s/c(=C/c4cn(CC(=O)O)c5ccccc45)c(=O)n32)c1C 5588169 RYMCZPKGMXJBSB-GIJQJNRQSA-N 403.463 3.113 0 40 HGAB CCCn1cc(C(=O)N2CCC[C@H](c3nc4ccc(F)cc4cc3C(N)=O)C2)c(C)n1 12242267 FFDKKWDSAROUDP-HNNXBMFYSA-N 423.492 3.408 0 40 HGAB Cc1nn(CC(=O)N2CCC[C@H](c3nc4ccc(F)cc4cc3C(N)=O)C2)c(C)c1C 12255693 WMZZGHCGSBOZBP-INIZCTEOSA-N 423.492 3.001 0 40 HGAB CC[C@@H]1Oc2ccc(C(=O)c3ccco3)cc2N(CC(=O)N2CCCCCC2)C1=O 12241946 HNSOWIUZXLPQJR-SFHVURJKSA-N 410.470 3.417 0 40 HGAB Cc1cc(C)n(-c2ccc(N3CCN(c4ccnc(C(F)(F)F)c4)CC3)nn2)n1 1889148951 ANZKBWFEXZSMRH-UHFFFAOYSA-N 403.412 3.020 0 40 HGAB O=C1COc2ccccc2CC=CC[C@]2(CCCN(C(=O)c3ccccn3)C2)CN1 2037819024 GMQRTNDNCNNZIE-DEOSSOPVSA-N 405.498 3.002 0 40 HGAB C[C@H]1CN(C(=O)c2ccc(CNS(=O)(=O)c3cccc(Cl)c3)cc2)C[C@H](C)O1 630919 GLYJPZCURRXREL-GJZGRUSLSA-N 422.934 3.068 0 40 HGAB CCN(CC)C(=O)Cn1cc(C(=O)C(=O)NCc2ccc(OC)cc2)c2ccccc21 3007592 PNLZJZWOXDJSSU-UHFFFAOYSA-N 421.497 3.017 0 40 HGAB COc1ccc(CCNC(=O)CSc2ccc(-c3ccncc3)nn2)cc1OC 4392004 DOSKOPGZYXSGHZ-UHFFFAOYSA-N 410.499 3.007 0 40 HGAB CCOc1ccc(N2C[C@@H](CNC(=O)Nc3ccc(OC)cc3OC)CC2=O)cc1 9039542 ULGYXJRRBOGYCG-OAHLLOKOSA-N 413.474 3.277 0 40 HGAB Cc1ccc(C)c(-c2cc3c(=O)n(Cc4nc(-c5ccc(F)cc5)no4)ncn3n2)c1 49004340 CAWOKYZERFWGBX-UHFFFAOYSA-N 416.416 3.412 0 40 HGAB O=C(NCc1ccco1)/C(=C/c1ccco1)NC(=O)c1ccc(Br)o1 862663 XENGVELZLYGIBJ-LCYFTJDESA-N 405.204 3.315 0 40 HGAB O=C(CS(=O)(=O)c1ccc(C(F)(F)F)cc1Cl)Nc1cccc(C(=O)O)c1 973906 DEELODXQNYZMOV-UHFFFAOYSA-N 421.780 3.469 0 40 HGAB COc1cc(/C=C2/NC(=O)NC2=O)cc(Br)c1OCc1ccccc1 1205333 SFPHIXORCJLMFT-RIYZIHGNSA-N 403.232 3.217 0 40 HGAB O=C1CN(C(=O)COC(=O)c2c3c(nc4ccccc24)CCCC3)c2ccccc2N1 3339475 QRIVHRLIIQRZQR-UHFFFAOYSA-N 415.449 3.256 0 40 HGAB CCN(CC)S(=O)(=O)c1cc(C(=O)OCC(=O)Nc2ccccc2)ccc1Cl 3392507 RYLRTZAYZYPZQO-UHFFFAOYSA-N 424.906 3.166 0 40 HGAB C[C@@H](Sc1nc2cc(Cl)ccc2c(=O)n1C1CCCCC1)C(=O)NC(N)=O 3412783 MFCKYTDZFWAHQY-SNVBAGLBSA-N 408.911 3.231 0 40 HGAB O=C(CSc1nnc(Nc2ccccc2F)s1)NC(=O)NCc1ccco1 3469227 IXPUGIDBBPYQPN-UHFFFAOYSA-N 407.452 3.132 0 40 HGAB Cc1cc(I)ccc1NC(=O)[C@H](C)NC(=O)OC(C)(C)C 3666667 ORXZKUYNBQXTGO-JTQLQIEISA-N 404.248 3.451 0 40 HGAB C[C@H](Nc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccccc1Cl)c1ccccc1 4170047 BXCYKFKBHXOFNV-ZDUSSCGKSA-N 409.877 3.298 0 40 HGAB CCS(=O)(=O)c1ccccc1C(=O)Nc1sc2c(c1C(N)=O)CC[C@@H](C)C2 4585748 SGTLIXLSMBVNOG-LLVKDONJSA-N 406.529 3.018 0 40 HGAB Cc1cc(C)cc(N(CC(=O)NC2CCCCC2)C(=O)CNC(=O)c2ccco2)c1 4875986 JUUNCMQIIPNEIT-UHFFFAOYSA-N 411.502 3.108 0 40 HGAB Cn1c(=O)c2c(-c3ccccc3)n3c(c2n(C)c1=O)[C@H](/C=C/c1ccccc1)OCC3 5346075 JKKBCIZVSHQYDP-KQDNUWKFSA-N 413.477 3.490 0 40 HGAB CCOC(=O)C1=C(C)Oc2ncn3nc(-c4ccncc4)nc3c2[C@H]1c1ccco1 5349162 XXMDBVWTGJYTLJ-INIZCTEOSA-N 403.398 3.141 0 40 HGAB O=C(c1cc2ccccc2o1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 5550512 GQNYZHDHGKREPM-UHFFFAOYSA-N 410.904 3.294 0 40 HGAB O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)c1ccccc1Cl 5638237 ZMGVNZVNVKVIJG-UHFFFAOYSA-N 415.298 3.267 0 40 HGAB C[C@@H](NC(=O)COC(=O)C1CCN(C(=O)Nc2ccccc2)CC1)c1ccccc1 5971016 ZOKWQBSDNVWLGB-QGZVFWFLSA-N 409.486 3.351 0 40 HGAB Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)OCC(=O)c2ccc(F)cc2)cc1 6099136 CIHBTUMYLFAYRS-IBGZPJMESA-N 421.490 3.253 0 40 HGAB CCCCOC(=O)c1ccc(NC(=S)NC(=O)c2ccc3c(c2)OCO3)cc1 6710015 PMUFWYJFRGBHOF-UHFFFAOYSA-N 400.456 3.499 0 40 HGAB CCSc1nnc(NC(=O)c2nn(-c3ccc(Cl)cc3)c(C)cc2=O)s1 6789295 XAARVRWTFRTQRG-UHFFFAOYSA-N 407.908 3.410 0 40 HGAB Cc1nn(-c2ccccc2)c(C)c1CCC(=O)N1CCN(C(=O)c2cccs2)CC1 7899888 ANPNJKGKEDMISE-UHFFFAOYSA-N 422.554 3.468 0 40 HGAB COc1ccc(NC(=O)COC(=O)CCC(=O)Nc2cccc(Cl)c2)c(OC)c1 8413988 DTGAUCJFWGBMPC-UHFFFAOYSA-N 420.849 3.258 0 40 HGAB COc1cc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCO)ccc1OCC(C)C 8869373 SITYMPDZVKSBTP-NRFANRHFSA-N 423.465 3.374 0 40 HGAB CC(C)CCNC(=O)[C@@H]1CCc2sc(NC(=O)c3ccc4c(c3)OCO4)nc21 9132433 MPGRRLJUIAZKGQ-CYBMUJFWSA-N 401.488 3.316 0 40 HGAB Cc1cccc(-n2ccc(=O)c(C(=O)Nc3nonc3-c3ccc(Cl)cc3)n2)c1 9206102 LHWXSYTZUVHGKF-UHFFFAOYSA-N 407.817 3.497 0 40 HGAB COc1ccc([C@@H]2c3c(C)nn(C)c3NC(=O)[C@H]2NC(=O)c2ccc(Cl)cc2)cc1 9252659 OYGZKFPVAGPUJK-MOPGFXCFSA-N 424.888 3.273 0 40 HGAB O=S1(=O)C[C@@H]2N=C(SCCCOc3ccccc3)N(c3ccccc3)[C@H]2C1 9304131 RCCPSMRDFIORKB-OALUTQOASA-N 402.541 3.231 0 40 HGAB CC(=O)c1ccc(NC(=O)CSC2=NS(=O)(=O)c3cc(Cl)ccc3N2)cc1 9762013 OROOYLIGOFJHPO-UHFFFAOYSA-N 423.903 3.385 0 40 HGAB Cc1ccc(-n2ncc3c(=O)n(NC(=O)c4ccccc4C(F)(F)F)cnc32)cc1 10251518 RHCSVMCWMAGMOM-UHFFFAOYSA-N 413.359 3.293 0 40 HGAB CCOc1ccc(-c2nnc(O)c3c2[C@@H](c2ccc(F)cc2)n2nnnc2N3)cc1 10295841 VRNBUATVYJMFON-GOSISDBHSA-N 405.393 3.068 0 40 HGAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1ccc2c(c1)C[C@@H](C)N2S(C)(=O)=O 10541068 ROGJTTKPXKCZTP-CQSZACIVSA-N 424.526 3.452 0 40 HGAB COc1ccc(Cc2nnc(SCC(=O)Nc3ccc(F)c(Cl)c3)n2N)cc1 10921525 GKNIXJIMMDMWSA-UHFFFAOYSA-N 421.885 3.115 0 40 HGAB CCc1cc(C(F)(F)F)n2nc([C@@H]3CCCCN3C(=O)Cn3cccn3)cc2n1 12230226 BQOGMXVEOKINGQ-HNNXBMFYSA-N 406.412 3.261 0 40 HGAB O=S(=O)(c1ccc(Br)cc1)N1CCC[C@@H](c2nnc3ccccn23)C1 12390002 LRXMRTFYHCODMH-CYBMUJFWSA-N 421.320 3.060 0 40 HGAB COc1ccc(-c2noc([C@@H]3C[C@H](NC(=O)Nc4cccc(F)c4)CN3C)n2)cc1 12529921 PCNNBEISJSEUOK-WMZOPIPTSA-N 411.437 3.451 0 40 HGAB biogenic,in-vitro CC(C)N1CCC(NC(=O)c2ccc(S(=O)(=O)Nc3ccccc3F)cc2)CC1 12755525 HNDJPUZMIIXMAE-UHFFFAOYSA-N 419.522 3.229 0 40 HGAB CCCN(Cn1nc(-c2ccccc2Cl)oc1=S)[C@@H]1CCS(=O)(=O)C1 12758476 HZGUHQUSNQRQHD-GFCCVEGCSA-N 401.941 3.383 0 40 HGAB Cc1c(C(=O)OCc2nc(-c3cccs3)no2)sc2nc3n(c(=O)c12)CCC3 12798312 DWCADFYWGINSKI-UHFFFAOYSA-N 414.468 3.181 0 40 HGAB O=C(CN1CSCC1=O)Nc1cc(Cl)cc(Br)c1OC(F)F 12871188 ZMGRTRPAPFDGIZ-UHFFFAOYSA-N 415.643 3.175 0 40 HGAB CNS(=O)(=O)c1cc(NC(=O)c2occc2COc2ccccc2)ccc1C 12923277 LBHKIEYVOGTUMZ-UHFFFAOYSA-N 400.456 3.327 0 40 HGAB CCOC(=O)c1ccc(C)c(NC(=O)CN(c2ccccc2CC)S(C)(=O)=O)c1 13632584 ZZUSNZAMVKEOGM-UHFFFAOYSA-N 418.515 3.139 0 40 HGAB CC(C)(C)OC(=O)NCC1CCC(C(=O)N2CCN(c3ccccn3)CC2)CC1 13693292 DVOWLDXQGRUOSQ-UHFFFAOYSA-N 402.539 3.061 0 40 HGAB CCn1c(COc2ccc(OC)cc2)nnc1SCC(=O)NCc1ccccc1 13845353 OHWBPZPKCYACAV-UHFFFAOYSA-N 412.515 3.294 0 40 HGAB Cc1ccc(C)c(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2)c1 13856515 PSUTXFACVOTBPW-OAHLLOKOSA-N 400.862 3.492 0 40 HGAB Cc1ccccc1-n1ncc2c(C)nn(CC(=O)N3CCCc4ccccc43)c(=O)c21 13970857 AOOFQAXRKFPKDU-UHFFFAOYSA-N 413.481 3.178 0 40 HGAB O=C(CCNS(=O)(=O)c1ccc2c(c1)CCCC2)NCc1ccccc1Cl 15583922 CYXYUSHMNHJNNR-UHFFFAOYSA-N 406.935 3.204 0 40 HGAB COc1ccc([C@H]2CCCN2C(=O)c2ccc3c(=O)n4c(nc3c2)CCC4)c(OC)c1 15829811 WIGCEQGUVGWYRC-HXUWFJFHSA-N 419.481 3.337 0 40 HGAB Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NCCCOC(C)C)c2)cc1 15913568 APRYUZHTCYJSBW-UHFFFAOYSA-N 404.532 3.365 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCN(Cc3cc(Cl)cc4c3OCOC4)CC2)cc1 16517547 SQDHLOLRJFKDTP-UHFFFAOYSA-N 422.934 3.021 0 40 HGAB CCC(=O)Nc1ccc(S(=O)(=O)NCCc2ccc(N3CCCC3)cc2)c(C)c1 16847299 DZISUBARTBYFHQ-UHFFFAOYSA-N 415.559 3.465 0 40 HGAB CCOS(=O)(=O)CC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@@H]3CC[C@@]12C 17353257 XRKNWTZSYZQKIU-RUTNFUQLSA-N 424.559 3.406 0 40 HGAB Cc1nc([C@H](Cc2c[nH]c3ccccc23)NC(=O)c2cc(C(C)(C)C)n[nH]2)cc(=O)[nH]1 19285138 PBSANUGNSTVLIY-KRWDZBQOSA-N 418.501 3.294 0 40 HGAB O=C(CCc1nc(-c2ccccc2)no1)OCc1cc(=O)n2cc(Cl)ccc2n1 19357614 ULKUDYHCMLOGAR-UHFFFAOYSA-N 410.817 3.074 0 40 HGAB COc1cc(Cl)cc(CN2CCc3nc(-c4ccccn4)[nH]c(=O)c3C2)c1OC 19549469 FXPWSYHWFNZRNW-UHFFFAOYSA-N 412.877 3.061 0 40 HGAB COCc1ccc(C(=O)N[C@@H](C)c2nc3cc(-c4ccc(OC)cc4)ncn3n2)cc1 19574458 XFQDTARRMXIRDM-HNNXBMFYSA-N 417.469 3.437 0 40 HGAB COc1cccc(Cn2cc(NC(=O)[C@@H]3CC(=O)N(c4ccccc4C)C3)cn2)c1 19661593 PUHDPPQXESSXCX-GOSISDBHSA-N 404.470 3.240 0 40 HGAB O=C(CSc1cccc2cccnc12)N1CCN(Cc2ccc3c(c2)OCO3)CC1 19691144 TUYXWIGLJLKQDT-UHFFFAOYSA-N 421.522 3.400 0 40 HGAB CCn1c(=O)oc2cc(S(=O)(=O)Nc3ccc(Br)cc3F)ccc21 19936781 LGANLAVGAMXJHZ-UHFFFAOYSA-N 415.240 3.317 0 40 HGAB COC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1ccccc1C(=O)N1CCCCC1 20730976 URHCXYZLJIBVPR-FQEVSTJZSA-N 409.486 3.219 0 40 HGAB CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)cc1 22271166 NQPCIJXVAJFCHI-NRFANRHFSA-N 416.543 3.034 0 40 HGAB CCOc1cccc(N(CC(=O)N[C@@H]2CCCc3ccccc32)S(C)(=O)=O)c1 22397274 FMQLWZWQHFXDCA-HXUWFJFHSA-N 402.516 3.045 0 40 HGAB CCC(CC)[C@H](CNC(=O)c1c[nH]c(=S)n1-c1ccccc1)N1CCOCC1 22898990 OTXBWYZHUGLUEH-SFHVURJKSA-N 402.564 3.402 0 40 HGAB Cc1c(C(=O)Nc2cccnc2-n2cccn2)sc2nc3n(c(=O)c12)CCCCC3 23171146 KXZAIZIUFCTWBE-UHFFFAOYSA-N 420.498 3.326 0 40 HGAB Cc1onc(-c2ccccc2)c1-c1nnc(CN2CCN(C(=O)c3ccco3)CC2)o1 23956965 LKTVTGIRBVUGCB-UHFFFAOYSA-N 419.441 3.251 0 40 HGAB CC(=O)c1ccccc1NC(=O)[C@@H](C)OC(=O)c1ccc(OCC(F)(F)F)nc1 24118495 JLJUSMWSNPSRPK-GFCCVEGCSA-N 410.348 3.409 0 40 HGAB CCCCc1ccc(C(=O)N2CCN(Cc3nc4ccccc4c(=O)[nH]3)CC2)cc1 24714488 OGRPLQCDRVEPLQ-UHFFFAOYSA-N 404.514 3.224 0 40 HGAB CCCc1ccc(NC(=O)CN(C)CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)cc1 32860159 YCURGRJKXFJFEY-KRWDZBQOSA-N 422.529 3.273 0 40 HGAB CN1CCN(S(=O)(=O)c2ccc(SCc3c(F)cccc3Cl)nc2)CC1 34872120 IOCMIASQQXYMBL-UHFFFAOYSA-N 415.943 3.103 0 40 HGAB CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)CNC(=O)NCc1ccc(F)cc1 40069458 FQYKFMSETZEMJB-UHFFFAOYSA-N 413.371 3.182 0 40 HGAB Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)N3CCN(c4ncccn4)CC3)c12 40128633 KBMVBXQPMKTAQR-UHFFFAOYSA-N 419.533 3.125 0 40 HGAB COc1ccc(CCNC(=O)CN2CCc3c([nH]c4ccccc34)[C@@H]2C)cc1OC 40154664 VXQZMDBCWVHQHC-INIZCTEOSA-N 407.514 3.463 0 40 HGAB CCSc1ccccc1NC(=O)[C@H]1CN(S(=O)(=O)CC)c2ccccc2O1 44844822 LIMVLKFBOXLTJH-QGZVFWFLSA-N 406.529 3.354 0 40 HGAB Cc1ccc(C)c([C@H](C)NC(=O)[C@@H]2CCN(S(C)(=O)=O)c3ccccc3O2)c1 44905947 DKPQIWUPSKKILC-JXFKEZNVSA-N 402.516 3.098 0 40 HGAB Cc1ccc(-c2nn(CN3CCC(NC(=O)c4cc(C)on4)CC3)c(=S)o2)cc1 52084315 YCNDDQFMHLPJHM-UHFFFAOYSA-N 413.503 3.329 0 40 HGAB O=C(c1cccnc1)N1CCN(Cc2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 54918391 IJENCAATAHAONE-UHFFFAOYSA-N 417.391 3.108 0 40 HGAB COCCn1c(SCC(=O)N[C@@H]2CCc3ccccc32)nc2ccsc2c1=O 57425908 FFANESUURGDENQ-OAHLLOKOSA-N 415.540 3.000 0 40 HGAB Cc1cccc(C(=O)N2CCCC2)c1NC(=O)N1CCNC(=O)C[C@H]1c1ccccc1 65490176 PWJYSMWBPXCVGW-FQEVSTJZSA-N 420.513 3.326 0 40 HGAB Cc1nnnn1-c1cccc(C(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)c1 71284924 FDLQPPUPBXZURU-UHFFFAOYSA-N 417.300 3.240 0 40 HGAB Cc1nc(=O)c2ccccc2n1C1=CCN(C(=O)CCn2ccnc2C(C)C)CC1 72348223 PIXSMGNOPKOVBD-UHFFFAOYSA-N 405.502 3.188 0 40 HGAB Cc1nnc2sc(-c3ccc(CNS(=O)(=O)c4ccc(Cl)cc4)cc3)nn12 95116509 SJIHXPLDVFJEOP-UHFFFAOYSA-N 419.919 3.293 0 40 HGAB COC(=O)C[C@@H](c1ccc2c(c1)OCO2)c1c(O)n[nH]c1Cc1ccc(OC)cc1 96114083 BNHRFWBWCOFXTQ-INIZCTEOSA-N 410.426 3.138 0 40 HGAB biogenic CC(C)CN1CC2(CCN(C(=O)Nc3cccc(F)c3)CC2)[C@]2(CCN(C)C2=O)C1 96144219 JHPVBYJHSZIGCO-HSZRJFAPSA-N 416.541 3.260 0 40 HGAB Cc1nn(-c2nc3ccccc3o2)c(O)c1[C@@H]1CC(=O)N(CCc2ccccc2)C1=O 101983845 BNQWBLIAYUDBTE-INIZCTEOSA-N 416.437 3.113 0 40 HGAB O=C1c2ccccc2[C@@H](NCCCN2CCOCC2)N1CCc1ccc(Cl)cc1 199409087 DSNMTZIKDLTKKR-QFIPXVFZSA-N 413.949 3.349 0 40 HGAB Cc1ccccc1CSCCNC(=O)CCCN(C)S(=O)(=O)c1ccccc1 219714588 HVAJTDLRKYYJSV-UHFFFAOYSA-N 420.600 3.445 0 40 HGAB COC(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCC(C)CC3)c2)cc1 219994642 FYIMEOPSAYCXJR-UHFFFAOYSA-N 416.499 3.146 0 40 HGAB CC[C@@H](NC(=O)[C@H](C)N(c1cccc(OC)c1)S(C)(=O)=O)c1ccc(C)cc1 220183003 RCKXJKAVVPXFJX-OXJNMPFZSA-N 404.532 3.426 0 40 HGAB O=C(c1c[nH]c(=O)c(Cl)c1)N1CCC[C@H](Cc2nc(-c3ccccc3F)no2)C1 220701296 WQQIFKXOJHPFFD-GFCCVEGCSA-N 416.840 3.312 0 40 HGAB CCn1cc(C(=O)N2CCC[C@H](Cc3nc(C4CC4)no3)C2)c(=O)c2ccc(C)nc21 220748692 ATTYDYRWWCTICD-OAHLLOKOSA-N 421.501 3.080 0 40 HGAB COc1cccc(N(CCCC(=O)N(C)Cc2ccc(C)cc2)S(C)(=O)=O)c1 222840956 PZZTUOUGEWAAEG-UHFFFAOYSA-N 404.532 3.208 0 40 HGAB COCCn1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c1C 223306327 WRNFINVZKZZPCA-IOMROCGXSA-N 414.575 3.298 0 40 HGAB COC(=O)c1cc(S(=O)(=O)Nc2ccccc2C(=O)NC(C)(C)C)ccc1Cl 223833448 YMSLEKJSKQVKHE-UHFFFAOYSA-N 424.906 3.456 0 40 HGAB CCCc1ccc(OCCNC(=O)c2ccc(N(CC)S(C)(=O)=O)cc2)cc1 224218280 FTPVXPYGPBOGCW-UHFFFAOYSA-N 404.532 3.234 0 40 HGAB COc1cccc(N(CCCC(=O)NC(C)(C)Cc2ccccc2)S(C)(=O)=O)c1 224457766 HDDTXPZXRGSYLL-UHFFFAOYSA-N 418.559 3.379 0 40 HGAB COc1ccc(C)cc1N(CCCC(=O)NC[C@@H](C)c1ccccc1)S(C)(=O)=O 224764104 SBMQCBPOACMRJI-GOSISDBHSA-N 418.559 3.470 0 40 HGAB COc1ccc(OCCNC(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2)cc1 225159539 VVAZSZDUIALOGQ-PGMHBOJBSA-N 406.438 3.254 0 40 HGAB C[C@H]1CCCN(c2ncc(C(=O)NCc3cccc(OC[C@H]4CCCO4)c3)cn2)C1 253603167 BPRUBLUHAANPHU-LAUBAEHRSA-N 410.518 3.201 0 40 HGAB O=C(c1cccnc1)N1CCO[C@@H](c2cc(CCOc3cccc(Cl)c3)[nH]n2)C1 257206337 BCXJNBNWOIYWQX-HXUWFJFHSA-N 412.877 3.293 0 40 HGAB COc1ccc(NC(=O)CN2CC[C@@H](c3ccc4c(NC(C)C)n[nH]c4n3)C2)cc1 257344931 ZZHFKSKXDPCCDW-OAHLLOKOSA-N 408.506 3.215 0 40 HGAB CCNC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1cc(Cl)ccc1Cl 408588180 CVMSNGQBPUHDKP-OAHLLOKOSA-N 401.315 3.019 0 40 HGAB O=C1N/C(=C/c2ccc(O)c(I)c2)C(=O)N1c1ccccc1 409015373 MLCKXQKLUNLQPG-UKTHLTGXSA-N 406.179 3.094 0 40 HGAB COc1ccc(C(=O)N[C@H]2C(=O)N/[N+](=C\c3ccc(C)cc3)[C@@H]2c2ccccc2)cc1 409072755 SHFZIPDYQJCLRN-WFZBXURCSA-O 414.485 3.020 0 40 HGAB NS(=O)(=O)c1ccc(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)c(F)c1 536084030 OJXGGKWIOBPDKS-UHFFFAOYSA-N 410.430 3.269 0 40 HGAB O=S(=O)(c1ccccc1C(F)(F)F)N1CC(N2CCc3sccc3C2)C1 575609957 CQAGHLMGAOLTPZ-UHFFFAOYSA-N 402.463 3.198 0 40 HGAB CS(=O)(=O)c1ccc(CCC(=O)NC[C@H](O)c2csc3ccccc23)cc1 585372109 IUIQVSOGZCMURH-SFHVURJKSA-N 403.525 3.087 0 40 HGAB COc1ccc(CN[C@@H](C(=O)c2ccc(OC)cc2)c2oc(C)cc(=O)c2O)cc1 1547139752 ZPVAWEPHZMTTDQ-FQEVSTJZSA-N 409.438 3.385 0 40 HGAB biogenic C=CC(=O)N1CCC(C(=O)N[C@@H]2CCO[C@@H](c3ccccn3)C2)(c2ccccc2)CC1 1624158611 JDJSIYRSJRDSPW-IFMALSPDSA-N 419.525 3.164 0 40 HGAB Brc1ccc(N2C[C@@H]3CN(CCc4ccc5c(c4)CCO5)C[C@H]3C2)nc1 2298217764 NVZRPRCBMDONIP-ROUUACIJSA-N 414.347 3.390 0 40 HGAB CC(C)(C)NS(=O)(=O)c1ccc(CCC(=O)N2CCc3ccccc3C2)cc1 810352 XICKVRFAIDOBNW-UHFFFAOYSA-N 400.544 3.281 0 40 HGAB CCN(CC)c1ccc2cc(-c3nc4cc(S(N)(=O)=O)ccc4o3)c(=O)oc2c1 1850184 SDUIURJVOCHJCO-UHFFFAOYSA-N 413.455 3.095 0 40 HGAB COc1ccccc1N(CC(=O)NC1CCCCC1)S(=O)(=O)c1cccs1 2627550 RPCOGQPLUAXZSF-UHFFFAOYSA-N 408.545 3.401 0 40 HGAB C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)O[C@@H]2CCCCC2=O)c1 3302504 FBTCBWTUOPNZCP-QVKFZJNVSA-N 413.495 3.495 0 40 HGAB CCOC(=O)CN(C(=O)CSc1nnc(NC(C)C)s1)c1ccc(F)cc1 3408409 ACLQKXSQIQDURF-UHFFFAOYSA-N 412.512 3.186 0 40 HGAB COC(=O)c1c(NC(=O)CSc2nnc(-c3ccco3)n2C)sc(C)c1C 4161935 RKPGIOXJSHLXJB-UHFFFAOYSA-N 406.489 3.271 0 40 HGAB Cc1cccc(-n2ncc3c(=O)n(CC(=O)Nc4cccc(Cl)c4)cnc32)c1C 4479233 LBZHYBPXYJAUKC-UHFFFAOYSA-N 407.861 3.491 0 40 HGAB CCOC(=O)c1ccccc1NC(=O)c1cccc(N2CCCCS2(=O)=O)c1 5099846 OIUNGAHECTYHGA-UHFFFAOYSA-N 402.472 3.046 0 40 HGAB CCSc1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1-c1cccc(OC)c1 5689428 YSUSOEGVZFBGPA-UHFFFAOYSA-N 418.544 3.305 0 40 HGAB COc1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1 6509488 FPFIDMUUZNHRSN-UHFFFAOYSA-N 402.410 3.369 0 40 HGAB Cc1ccc(S(=O)(=O)NCCSc2nnnn2-c2ccc(C(C)C)cc2)cc1 6585174 GLFQMEYXVISUIL-UHFFFAOYSA-N 417.560 3.165 0 40 HGAB CCOc1ccc(N(CC(=O)NC(C)(C)C)S(=O)(=O)c2ccc(F)cc2)cc1 6595707 WXRZSRZUUIQULF-UHFFFAOYSA-N 408.495 3.334 0 40 HGAB CCCCOc1ccc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCO)cc1 6753035 CIZFHNXTNSPAOQ-JOCHJYFZSA-N 407.470 3.499 0 40 HGAB O=C(CSc1nnc(-c2cccnc2)n1C1CC1)N1CCC(c2ccccc2)=N1 7799420 ZUAGOISCLOQQJD-UHFFFAOYSA-N 404.499 3.404 0 40 HGAB COc1ccc(OC)c(NC(=O)CNc2cc(Cl)ccc2N2CCOCC2)c1 7977233 RPLWLQMCNHUVAN-UHFFFAOYSA-N 405.882 3.244 0 40 HGAB CC1(C)C(=O)Nc2ccccc2N1C(=O)CN1CCC[C@@H]1c1ccc2c(c1)OCCO2 8318596 XQHYVTVEBFNMPU-GOSISDBHSA-N 421.497 3.359 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(C)n(C(C)C)c3C)CC2)cc1 8379448 LWYALUFIHXICCF-UHFFFAOYSA-N 403.548 3.141 0 40 HGAB CC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(-c4ccc(Cl)cc4)nn32)cc1 8555586 NLYBDMNUHMFSKX-INIZCTEOSA-N 409.833 3.323 0 40 HGAB CCCOc1ccc(Br)cc1[C@H]1C(C(=O)OCC)=C(C)Nc2nnnn21 8717607 JKALPLSSXFVSJC-HNNXBMFYSA-N 422.283 3.076 0 40 HGAB C[C@H](OC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)C(=O)Nc1ccc(F)cc1Cl 8760386 HCHQPDLVYBXROM-DZGCQCFKSA-N 418.852 3.398 0 40 HGAB CCN1C(=O)[C@](O)(CC(=O)c2ccc3c(c2)OCO3)c2cc(Br)ccc21 8921885 NEPMNPUPBVNYOQ-IBGZPJMESA-N 418.243 3.005 0 40 HGAB COc1cc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)cc(OC)c1 9461322 UDTRHXHGMWVIBQ-UHFFFAOYSA-N 424.906 3.394 0 40 HGAB COc1ccc(NC(=O)Cc2csc(NS(=O)(=O)c3ccccc3)n2)cc1 9828713 RRZSIUJDIZRAIW-UHFFFAOYSA-N 403.485 3.134 0 40 HGAB COc1ccc(F)cc1S(=O)(=O)N1CCC(C(=O)Nc2cc(C)cc(C)c2)CC1 10302914 QFVMRKBVXZHROJ-UHFFFAOYSA-N 420.506 3.491 0 40 HGAB COc1cc(Cl)c(NC(=O)c2ccc(CN3C(=O)CCC3=O)cc2)cc1OC 10590885 IZVOOGYPAZMWMD-UHFFFAOYSA-N 402.834 3.259 0 40 HGAB COc1cc(C(=O)NCc2ccc(NC(=O)C3CC3)cc2)cc(Br)c1O 10778098 NKDPWURHJKSYKU-UHFFFAOYSA-N 419.275 3.442 0 40 HGAB O=C(Cn1c(=O)n(Cc2cccs2)c2ncccc21)N1CCC[C@@H]2CCCC[C@@H]21 12117476 FITIENUUXLKEAT-WMZOPIPTSA-N 410.543 3.489 0 40 HGAB CCn1cc(CN2[C@H]3CC[C@@H]2CC(O)(Cn2nc(C)ccc2=O)C3)c2ccccc21 12134010 PFVTWCGJXWLOCF-VXMMSVGHSA-N 406.530 3.084 0 40 HGAB CC(C)[C@@H](Cn1nc(-c2ccc(F)c(F)c2)ccc1=O)NC(=O)c1cscn1 12182914 NGNQKGYLOMLDRG-MRXNPFEDSA-N 404.442 3.100 0 40 HGAB COCCN1C(=O)N(c2ccc(F)cc2)C(=O)[C@@H]1CC(=O)Nc1ccc(Cl)cc1 12363543 DDHCBVNIBYCJIX-KRWDZBQOSA-N 419.840 3.292 0 40 HGAB C[C@H]1CN(C(=O)c2cccc(S(=O)(=O)Nc3ccc(Cl)cc3)c2)C[C@@H](C)O1 12620723 IWYQBBQYUDZNLU-OKILXGFUSA-N 408.907 3.390 0 40 HGAB CNS(=O)(=O)Cc1ccccc1CNC(=O)c1sc(-c2cccs2)nc1C 12874793 DTZBMFUFECILOW-UHFFFAOYSA-N 421.569 3.159 0 40 HGAB CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CCn1c(=O)[nH]c(=O)c2ccccc21 12993535 CGPIHHMQKZOHFR-UHFFFAOYSA-N 406.269 3.045 0 40 HGAB O=C(/C=C/c1cc(Cl)c2c(c1)OCCCO2)N1CCN(C(=O)c2ccco2)CC1 14067689 WTDVPIOYFCEXAA-SNAWJCMRSA-N 416.861 3.092 0 40 HGAB O=c1c2cc(Cl)ccc2ncn1C[C@H](O)COc1cccc(Br)c1 14184131 BATTUUZIFSCUJF-ZDUSSCGKSA-N 409.667 3.252 0 40 HGAB CCCCNC(=O)c1ccccc1NC(=O)c1ccc(N(C)S(=O)(=O)CC)cc1 14397163 CRQFQRRJUJXLMM-UHFFFAOYSA-N 417.531 3.255 0 40 HGAB COc1ccccc1NC(=O)COc1ccc(C(=O)NCc2ccccn2)cc1OC 15434254 GOYAOTFMFRQJOT-UHFFFAOYSA-N 421.453 3.046 0 40 HGAB Cc1cc(C)cc(NC(=O)C(=O)NCCCCN2CCO[C@H](c3ccccc3)C2)c1 17010560 OKDRDGXTUYZBJA-QFIPXVFZSA-N 409.530 3.212 0 40 HGAB Cc1nc(COc2ccc(C(=O)OCCN3C(=O)c4ccccc4C3=O)cc2)cs1 19363820 MENHOTLQYQOTAK-UHFFFAOYSA-N 422.462 3.484 0 40 HGAB O=C(COC[C@@H]1COc2ccccc2O1)N1CCC[C@@H](COc2ccc(F)cc2)C1 19375729 IQDRVGVVOPYKMY-YLJYHZDGSA-N 415.461 3.300 0 40 HGAB CC[C@@H](CN1CCN(C)CC1)NC(=O)Cc1sc(C)nc1-c1cc(C)ccc1C 19500307 ZMJBBWPCJHYFFK-IBGZPJMESA-N 414.619 3.420 0 40 HGAB CCn1nc(C)c([C@@H](C)NC(=O)c2cccc3c2C(=O)N(C[C@@H]2CCCO2)C3)c1C 19523773 ZEXFNXIQBJBVRQ-KDOFPFPSSA-N 410.518 3.146 0 40 HGAB CCN1CCN(C(=O)c2ccnn2C)C[C@@H](Cc2ccc(-c3cccs3)cc2)C1=O 19527434 PMUMELVQFKZTIZ-LJQANCHMSA-N 422.554 3.312 0 40 HGAB CCOc1ccc(CN2CCN(c3c(F)cccc3[C@@H](O)c3nccn3C)CC2)cc1 19533332 UBRCLFUKJSTSCO-HSZRJFAPSA-N 424.520 3.362 0 40 HGAB Cc1nc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2sc(C)nc2C)cc(=O)[nH]1 19560217 KMCRGDIGCHQKFR-QGZVFWFLSA-N 407.499 3.347 0 40 HGAB Cc1nc(-c2cccnc2)sc1C(=O)N(CCN(C)C)Cc1ccc2c(c1)OCO2 19561060 YQDJIYWWCZKTDM-UHFFFAOYSA-N 424.526 3.446 0 40 HGAB C[C@@H](c1cc(=O)[nH]c(NCc2ccc(Cl)cc2)n1)n1ncc2ccccc2c1=O 19717467 LAVPGKMANPXOTL-ZDUSSCGKSA-N 407.861 3.355 0 40 HGAB Cc1n[nH]cc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)COc2ccccc2)CC1 19746600 CPKBAWMDVGPTIT-NRFANRHFSA-N 410.518 3.030 0 40 HGAB CCOc1ccccc1CNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 19933394 DRBVTJLSOXWEOK-UHFFFAOYSA-N 422.934 3.453 0 40 HGAB CC[C@H](NC(=O)[C@@H](C)N(c1ccc(C)cc1)S(C)(=O)=O)c1ccc(OC)cc1 19934540 IFWUDEVGKXJRSY-UZLBHIALSA-N 404.532 3.426 0 40 HGAB CC[C@H](C)NS(=O)(=O)c1ccc(OCC(=O)N[C@H](C)c2ccc(OC)cc2)cc1 20019546 NOPXBECEUFHIST-JKSUJKDBSA-N 420.531 3.028 0 40 HGAB CCOC(=O)[C@@]1(C)C(Br)=C(O)C(=O)N1c1ccc(Br)cc1 20507143 VQQMGUCZBRHKOO-CQSZACIVSA-N 419.069 3.282 0 40 HGAB c1ccc(CN2CCc3c(sc4ncnc(NCCCN5CCOCC5)c34)C2)cc1 20548059 CLXSXLPTSYKWEA-UHFFFAOYSA-N 423.586 3.384 0 40 HGAB COc1cc2ncn(CC(=O)NCc3ccc(Cl)cc3Cl)c(=O)c2cc1OC 20724178 XHHIPVPGSAASFL-UHFFFAOYSA-N 422.268 3.037 0 40 HGAB COc1cc(CNCCNC[C@@H](C)O)cc(Br)c1OCc1ccccc1 22075127 DXZPEPNZUFWJDX-OAHLLOKOSA-N 423.351 3.097 0 40 HGAB Cc1ccccc1CNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 25154971 MUINFXOJDDLXKD-KRWDZBQOSA-N 406.935 3.366 0 40 HGAB COc1cccc([C@@H](CN2C(=O)[C@H](C)NC2=S)c2c[nH]c3ccccc23)c1OC 27401078 JXBKROFAAGTCJX-SUMWQHHRSA-N 409.511 3.422 0 40 HGAB CCOC(=O)[C@@]1(c2c(C)nn(-c3ccccc3)c2N)Sc2ccccc2NC1=O 27788880 HADHPLJLKCJEGH-NRFANRHFSA-N 408.483 3.266 0 40 HGAB O=C(/C=C/c1ccc2c(c1)OCO2)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1 30847799 WONOEVQRILULSI-ONNFQVAWSA-N 423.450 3.263 0 40 HGAB Cc1c(C)c2ccc(OCC(=O)Nc3nnc([C@H]4CCCO4)s3)cc2oc1=O 31813689 CFTRYXJYDYLWCA-CQSZACIVSA-N 401.444 3.130 0 40 HGAB COc1cc(OC)c(NC(=O)C[C@@H]2NC(=O)c3ccccc3N=C2O)cc1Cl 32103855 GZRCLDSIPPNZOK-AWEZNQCLSA-N 403.822 3.086 0 40 HGAB O=C(Nc1ccc2c([C@H](C(=O)O)N3CCC(C(=O)O)CC3)c[nH]c2c1)c1ccccc1 36359584 RCGGEGSVUZKHKW-HXUWFJFHSA-N 421.453 3.343 0 40 HGAB CN(C)[C@@H](CNC(=O)[C@@H]1CCCN(C(=O)c2ccoc2)C1)c1ccccc1Cl 43728861 NQXFGMRKTUGEPS-BEFAXECRSA-N 403.910 3.204 0 40 HGAB CN1CCC(N(C)C[C@H](NC(=O)N(C)Cc2cccc(O)c2)c2ccccc2)CC1 50135139 KYQZYZJAIAKRQN-QHCPKHFHSA-N 410.562 3.301 0 40 HGAB COc1ccc(-c2cc(C(=O)NCCCN3CCc4ccccc4C3)n[nH]2)c(OC)c1 57477413 LKCHEDNJOQDNRE-UHFFFAOYSA-N 420.513 3.272 0 40 HGAB NC(=O)C1CCN([C@@H](c2ccccc2Cl)c2nnnn2C2CCCCC2)CC1 57669532 GNDTVIRVLXJSOY-SFHVURJKSA-N 402.930 3.118 0 40 HGAB CC(C)[C@@H](c1nnnn1Cc1ccco1)N1CCN(c2cccc(Cl)c2)CC1 57671166 DUPRNXBIFIDXQG-IBGZPJMESA-N 400.914 3.487 0 40 HGAB NC(=O)CC[C@@H]1CCCN(CC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)C1 58341304 YRZYYRSCGHTADK-HNNXBMFYSA-N 403.910 3.194 0 40 HGAB COc1ccc(-c2cn(CC(=O)Nc3ccc(C)cc3)nc2N2CCOCC2)cc1 62006909 OFSQWOLAQJCUDK-UHFFFAOYSA-N 406.486 3.342 0 40 HGAB Cc1cc(NC(=O)c2sc(C)nc2-c2ccccc2)n([C@H]2CCS(=O)(=O)C2)n1 72402563 IVCQNCCPMUGMKE-HNNXBMFYSA-N 416.528 3.235 0 40 HGAB CC(C)(C)C(=O)NCCc1ccc(S(=O)(=O)N[C@H]2CCc3ccccc32)s1 95457529 DWNYRJPLDAMWTF-KRWDZBQOSA-N 406.573 3.419 0 40 HGAB Cc1nc(C(=O)N2CCn3c(nnc3C(F)(F)F)C2)c(Cc2ccccc2)s1 95478510 XEFXVGQKNAKJIQ-UHFFFAOYSA-N 407.421 3.309 0 40 HGAB O=C(O)[C@@H]1CCCN(C(=O)c2nn(-c3cccc(C(F)(F)F)c3)c3c2CCC3)C1 95969481 SNLMVYULKUBDSS-GFCCVEGCSA-N 407.392 3.317 0 40 HGAB CCc1nc(CSc2nc3sc(C)c(CC)c3c(=O)n2C[C@@H]2CCCO2)n[nH]1 96010352 QACFIZSTXCRYAW-LBPRGKRZSA-N 419.576 3.481 0 40 HGAB Cc1ccc(CNC(=O)C2=NO[C@]3(CCCN(C(=O)NC4CCCCC4)C3)C2)cc1 96225386 NIEYJPRVNAXCKK-HSZRJFAPSA-N 412.534 3.264 0 40 HGAB CCc1cccc(NC(=O)N2CC[C@]3(C2)CN(c2cccc(F)c2)C(=O)CN3C)c1 96237971 GMCNJRQOSLBKGJ-QHCPKHFHSA-N 410.493 3.343 0 40 HGAB COc1cccc(OCC(=O)NCc2nc(-c3cccc(Br)c3)no2)c1 96247948 IBSDZNFAOGFRQQ-UHFFFAOYSA-N 418.247 3.203 0 40 HGAB CO[C@H]1CC[C@H](C(=O)NCCn2ncc(-c3cnccn3)c2-c2cccs2)CC1 100743516 BJGSLTPEAVLNOO-IYBDPMFKSA-N 411.531 3.390 0 40 HGAB CCc1cc(=O)oc2cc(C)cc(OCC(=O)NC[C@H]3CC[C@H](C(=O)O)CC3)c12 100765931 AIKXQDGJPPLSHC-FZNQNYSPSA-N 401.459 3.050 0 40 HGAB COc1ccc(Cl)cc1N([C@@H](C)C(=O)Nc1ccc(F)cc1F)S(C)(=O)=O 113941680 FJPMYXSRYZKSKG-JTQLQIEISA-N 418.849 3.420 0 40 HGAB CC[C@H](C(=O)N[C@H](C)COc1ccccc1C)N(c1ccc(F)cc1)S(C)(=O)=O 219115832 UMUBLIVCSXMDGS-VQIMIIECSA-N 422.522 3.262 0 40 HGAB CC[C@@H](C(=O)N[C@H](C)c1ccc(F)cc1)N(c1cccc(OC)c1)S(C)(=O)=O 220631376 AVLGTVRCDNCOHA-KUHUBIRLSA-N 408.495 3.256 0 40 HGAB Cc1cccc(CNC(=O)COc2ccc(S(=O)(=O)Nc3ccccc3)cc2)c1 222676535 KJKSCGHPZFQWOI-UHFFFAOYSA-N 410.495 3.491 0 40 HGAB COc1ccc(-c2noc(CN(C)C(=O)COc3cccc(Cl)c3)n2)c(OC)c1 222772846 WQLJKFQZXNRPMR-UHFFFAOYSA-N 417.849 3.445 0 40 HGAB COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(C)n1-c1cccnc1 223683286 MGZZYJQCHDQEDD-SFTDATJTSA-N 421.526 3.111 0 40 HGAB CC[C@@H](C(=O)NCCOc1cccc(C)c1)N(c1cccc(Cl)c1)S(C)(=O)=O 224300870 VKAQPDJDOWNPMF-IBGZPJMESA-N 424.950 3.388 0 40 HGAB Cc1ccc(-c2nnc(NC(=O)CN(c3ccc(F)cc3)S(C)(=O)=O)s2)cc1 225035430 WTLXHNPNMDPWSV-UHFFFAOYSA-N 420.491 3.057 0 40 HGAB COc1ccc(C[C@H](C(=O)O)N(C)S(=O)(=O)c2ccc(Cl)cc2)cc1Cl 225166358 AFSKJLOEGHPSDK-OAHLLOKOSA-N 418.298 3.318 0 40 HGAB Cc1nccn1Cc1ccc(C(=O)NCc2ccccc2CN2CCOCC2)cc1 225298966 OXYHVHGABSWTHN-UHFFFAOYSA-N 404.514 3.002 0 40 HGAB CNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)Cc1ccc(F)cc1 225495442 BDVBKNDAINWYFQ-ZDUSSCGKSA-N 407.283 3.294 0 40 HGAB Cc1ccc(C)c([C@@H](C)NC(=O)[C@@H](C)Oc2ccc(N(C)S(C)(=O)=O)cc2)c1 225698207 MMQDURZULUKXPQ-IAGOWNOFSA-N 404.532 3.344 0 40 HGAB CC(=O)c1cccc(S(=O)(=O)N2CC[C@@H](Oc3cc(C(F)(F)F)ccn3)C2)c1 225736664 VIKMKRGAQUDQTN-OAHLLOKOSA-N 414.405 3.145 0 40 HGAB CCOC(=O)c1ccc2c(c1)sc(=NC(=O)c1ccn(CC)n1)n2CCSC 245180678 ZGGMWCQQQPVHIF-UHFFFAOYSA-N 418.544 3.200 0 40 HGAB CN1C[C@H](C(=O)Nc2ccc(F)cc2)C[C@H]1C1CCN(C(=O)c2ccccn2)CC1 248130490 MZZPVTJYLKEASI-UTKZUKDTSA-N 410.493 3.032 0 40 HGAB COc1ccc(OC)c(-c2cc(C(=O)N3C[C@@H]4C[C@@]5(C)[C@H](CCCC[C@@H]35)N4)[nH]n2)c1 257337467 YSWUNWINTUTVFP-XWFPCGQCSA-N 410.518 3.229 0 40 HGAB CCOc1c(Br)cc(C=C(C(=O)OC)C(=O)OC)cc1Br 386368611 OUKQRMAIXMBMNP-UHFFFAOYSA-N 422.069 3.340 0 40 HGAB COc1cc(S(=O)(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)ccc1F 408695522 QYLDKKDMAUTEFT-UHFFFAOYSA-N 418.412 3.364 0 40 HGAB CCOc1ccc(C(=O)Nc2ccc(OC)cc2)cc1S(=O)(=O)N1CCCC1 408699712 YRYVRZCMBKKBMM-UHFFFAOYSA-N 404.488 3.131 0 40 HGAB NC(=O)c1ccc(NC(=O)c2ccc(CN3CCN(c4ccccc4)CC3)cc2)cc1 409184938 IPGWFFDRWNEPIS-UHFFFAOYSA-N 414.509 3.360 0 40 HGAB CCOc1cc(/C=C2\SC(=O)N(CC(=O)NCC(C)C)C2=O)cc(Cl)c1O 409208672 DLLKMWWCKFXSET-AUWJEWJLSA-N 412.895 3.253 0 40 HGAB O=S1(=O)C[C@H](O)[C@@H](N(c2cccc(O)c2)C(c2ccccc2)c2ccccc2)C1 575420432 HWPQRKUIYCVVNU-VXKWHMMOSA-N 409.507 3.146 0 40 HGAB COc1ccc(CCS(=O)(=O)NC[C@H](c2ccsc2)n2nc(C)cc2C)cc1 575613347 GAWDFBWGSOAMOD-HXUWFJFHSA-N 419.572 3.322 0 40 HGAB COC1(c2nc(CC(F)(F)F)no2)CCN(CC(=O)Nc2cccc(C)c2)CC1 576245865 OZWNEGSPTOZGGH-UHFFFAOYSA-N 412.412 3.059 0 40 HGAB NC(=O)C1(c2ccccc2)CCN(C(=O)NCc2ccccc2N2CCCCC2)CC1 679386392 KTRMZNJSQAPBFI-UHFFFAOYSA-N 420.557 3.406 0 40 HGAB COc1cc(OC)c([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc(C)cc2)cc1OC 828853 ATIUAYSMJLEAOR-FQEVSTJZSA-N 411.458 3.287 0 40 HGAB CN(CC(=O)Nc1ccccc1Cl)S(=O)(=O)c1ccc(Br)cc1 1100119 IFAMTHREAPIOME-UHFFFAOYSA-N 417.712 3.362 0 40 HGAB O=C(c1ccc(S(=O)(=O)NCc2cccs2)cc1)N1CCc2ccccc2C1 1324859 YYMQCQSUMPXVOQ-UHFFFAOYSA-N 412.536 3.425 0 40 HGAB COc1cccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(C4CC4)CC(=O)N32)c1 2156224 LKCAINTVKLHVBF-NZQKXSOJSA-N 401.466 3.024 0 40 HGAB biogenic CCOC(=O)[C@H](NC(=O)/C(=C/c1ccc(F)cc1)NC(=O)c1ccccc1)C(C)C 2271682 ODFIGXGZYZCSKG-GRTQGXPSSA-N 412.461 3.301 0 40 HGAB Cc1c(CN(C)C(=O)[C@@H](C)n2nc(C(F)F)c(Br)c2C)cnn1C 2778289 WBEXFXGSYBGDKO-SNVBAGLBSA-N 404.259 3.153 0 40 HGAB COCCn1c(SCC(=O)Nc2cc(C)ccc2OC)nc2ccccc2c1=O 3493578 ILSFWFPNFYEJKK-UHFFFAOYSA-N 413.499 3.091 0 40 HGAB CCOC(=O)C1=C(N)Oc2c(c(=O)[nH]c3c(C)cccc23)[C@@H]1c1ccc(OC)cc1 3984337 WTRUADIQGFCSSR-INIZCTEOSA-N 406.438 3.103 0 40 HGAB biogenic Cc1ccc(NC(=O)CSc2ncnc3c2nnn3Cc2ccccc2F)cc1 4166504 DNCVIHINAIOAMU-UHFFFAOYSA-N 408.462 3.448 0 40 HGAB CCOc1ccc(-n2ccnc(SCC(=O)Nc3cccc(OC)c3)c2=O)cc1 4853207 YQBDWHWUYDRARS-UHFFFAOYSA-N 411.483 3.371 0 40 HGAB O=C(CN1[C@H]2CCC[C@@H]1CC(NC(=O)c1ccccc1)C2)NCc1ccc(F)cc1 4908188 ADRMBDIZFBQREN-FRIKZZABSA-N 409.505 3.257 0 40 HGAB CCOC(=O)c1c(NC(=O)COC(=O)c2ccc(O)cc2O)sc(C)c1CC 5104106 DWHVNGQAQKGCLR-UHFFFAOYSA-N 407.444 3.002 0 40 HGAB Cn1c(=O)c2c(-c3ccc(Cl)cc3)n3c(c2n(C)c1=O)[C@H](c1ccco1)OCC3 5347644 ODZJBVPFDIQLSD-IBGZPJMESA-N 411.845 3.072 0 40 HGAB COCCCn1c(=O)c2sccc2n(CC(=O)Nc2ccc(C(C)C)cc2)c1=O 6679227 HJOQJCVTTGRVEY-UHFFFAOYSA-N 415.515 3.023 0 40 HGAB COc1ccc(-c2coc3cc(OCCN4CCC(C(N)=O)CC4)ccc3c2=O)cc1 6760142 BJCZJYPLWHMXLO-UHFFFAOYSA-N 422.481 3.045 0 40 HGAB biogenic O=S(=O)(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1cccc(F)c1 7057561 OGMRDIHSQUJZII-UHFFFAOYSA-N 404.385 3.482 0 40 HGAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CSCc1ccccc1C 7208750 QVTBOSHNBFAQRF-UHFFFAOYSA-N 408.545 3.126 0 40 HGAB C[C@@H](NC(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)c1ccc2c(c1)CCCC2 7821886 VGFFZTPYAFJSIP-PUAOIOHZSA-N 417.509 3.136 0 40 HGAB O=C(c1ccccc1)N1CCN(C(=O)c2cc(C3CC3)nn2-c2ccccc2)CC1 8269857 HHIVGODVTJFXRY-UHFFFAOYSA-N 400.482 3.348 0 40 HGAB O=C(Nc1ccc(Cl)cc1)[C@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1 8313033 HJXVDEUJLHRZAY-ZDUSSCGKSA-N 403.891 3.140 0 40 HGAB CCOc1ccc([C@H]2Nn3c(C)nnc3S[C@H]2C(=O)NCc2ccc(C)cc2)cc1 9239021 NXTSSVMHONUHAN-WOJBJXKFSA-N 423.542 3.369 0 40 HGAB CCS(=O)(=O)N1CCc2cc(C(=O)COc3ccccc3Br)ccc21 9782296 CNVQWOMGUFAGAP-UHFFFAOYSA-N 424.316 3.423 0 40 HGAB COc1ccccc1N(CC(=O)N1CCCCCC1)S(=O)(=O)c1cccs1 9911528 KXEXOOWCHYVLRF-UHFFFAOYSA-N 408.545 3.355 0 40 HGAB Cn1ncc(Cl)c1[C@H]1CCCCCN1S(=O)(=O)c1ccc2c(c1)CCC(=O)N2 12159827 DMECKNKTDVWMES-QGZVFWFLSA-N 422.938 3.264 0 40 HGAB O=C(CN1CCC[C@H](n2c(=O)oc3ccc(Cl)cc32)C1)NCCc1ccccc1 12184559 IHJXEGFQEIYBSH-SFHVURJKSA-N 413.905 3.244 0 40 HGAB COC(=O)CCCCCNC(=O)c1ccc(S(=O)(=O)Nc2ccccc2C)cc1 12604792 ZFHXDZFXWIFYQL-UHFFFAOYSA-N 418.515 3.259 0 40 HGAB CN(CC(=O)NCc1ccccc1Cl)CC(=O)Nc1ccccc1Br 12690933 USNMKGNYQNHDME-UHFFFAOYSA-N 424.726 3.289 0 40 HGAB Cc1ccccc1NC(=O)[C@H](C)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C 12729534 SGFKSUZEVQXSPB-IRXDYDNUSA-N 408.502 3.018 0 40 HGAB C[C@@H]1CCCC[C@@]12NC(=O)N(C[C@@H](O)COc1ccc(Cl)cc1Cl)C2=O 12869016 AXVIALSWJUFTQA-AEDCBLDQSA-N 401.290 3.234 0 40 HGAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)CC2)cc1 12880081 ZKUJGDGDABVLPI-LLGFUMIMSA-N 422.591 3.427 0 40 HGAB CNS(=O)(=O)c1ccc(CCC(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)cc1 12983645 VQWFMSQYWGKTOI-UHFFFAOYSA-N 423.538 3.325 0 40 HGAB COc1ccc([C@H]2CCCCCN2C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 13012322 AFFLZVSYWBPEKK-LJQANCHMSA-N 403.504 3.492 0 40 HGAB Cc1ccc(Cl)cc1N([C@@H](C)C(=O)Nc1ccc2c(c1)OCO2)S(C)(=O)=O 13681823 MBBWEDTVOYEGFN-LBPRGKRZSA-N 410.879 3.170 0 40 HGAB CCOC(=O)c1ccc(NC(=O)[C@@H](CC)N(c2ccccc2)S(C)(=O)=O)cc1 13711077 XGKGEEUBVKXXSZ-GOSISDBHSA-N 404.488 3.047 0 40 HGAB CN(CC(=O)N1CCN(Cc2ccccc2)CC1)C(=O)Nc1cccc(Cl)c1 13730281 GDHKLXUOUAHUTL-UHFFFAOYSA-N 400.910 3.148 0 40 HGAB CS(=O)(=O)N1CCCC[C@H]1C(=O)Nc1nc(-c2nc3ccccc3s2)cs1 13792648 WPMATRZEPRDZLE-ZDUSSCGKSA-N 422.557 3.172 0 40 HGAB Clc1ccccc1CN1CCO[C@H](CSc2nnnn2Cc2ccccc2)C1 14094939 OLABRRRKCCAKIT-SFHVURJKSA-N 415.950 3.368 0 40 HGAB CC[C@H]1CN(C(=O)c2ccnc(Cl)c2)CC[C@H]1CC(=O)NCc1cccnc1 15672839 MOMPTVIRYWWXGT-IRXDYDNUSA-N 400.910 3.325 0 40 HGAB biogenic,in-vitro Cc1c(O)ccc2c(COC(=O)c3nc(C)n(-c4ccc(F)cc4)n3)cc(=O)oc12 16398560 DSOKCWWUWXBFFW-UHFFFAOYSA-N 409.373 3.192 0 40 HGAB CC(C)(C)C(=O)N1CCC(c2nc(O)c3c(n2)CN(Cc2ccccc2)CC3)CC1 19081101 APRHBOFHGCTUJV-UHFFFAOYSA-N 408.546 3.493 0 40 HGAB Cc1cc(O)n2nc([C@@H]3CCCN3C(=O)c3c(-c4cccnc4)noc3C)cc2n1 19116814 XMZUQIWEXOMQAM-INIZCTEOSA-N 404.430 3.079 0 40 HGAB CCc1cc2c(CN3CCN(Cc4ccc5c(c4)OCO5)CC3)cc(=O)oc2cc1O 19370985 DHELFXMLOFNOAK-UHFFFAOYSA-N 422.481 3.108 0 40 HGAB biogenic CCC(C)(C)n1nnnc1[C@H](c1ccc(OC)cc1)N1CCN(C2CCCC2)CC1 19499688 YRTKSNLGIYOOAR-NRFANRHFSA-N 412.582 3.476 0 40 HGAB CN(C)C(=O)[C@@]1(Cc2cccc(-c3ccccc3)c2)CN(C(=O)C2CCC2)CCO1 19580578 QOTOBRQBPAOTCH-RUZDIDTESA-N 406.526 3.382 0 40 HGAB CC(=O)Nc1ccc(OCc2noc(C(=O)NCc3ccc(Cl)cc3)n2)cc1 20734575 OLXUYZCGGNLWMM-UHFFFAOYSA-N 400.822 3.190 0 40 HGAB Cc1cc2occ(CC(=O)NN3C(=O)N[C@@](C)(c4ccco4)C3=O)c2cc1C(C)C 21553074 GXOCEBTWYHSBMA-QFIPXVFZSA-N 409.442 3.499 0 40 HGAB COCCNC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccc(Br)cc1 25165696 OWYUBVDJBLISOX-ZDUSSCGKSA-N 421.291 3.231 0 40 HGAB COc1ccc(Br)cc1CN(C)CN1C(=O)NC2(CCCCC2)C1=O 25747439 YAVJWERPUQMFLB-UHFFFAOYSA-N 410.312 3.102 0 40 HGAB O=C(NCCCN1CCOCC1)c1ccn(COc2ccc(-c3ccccc3)cc2)n1 27972094 MXCWXISFHKSOTC-UHFFFAOYSA-N 420.513 3.039 0 40 HGAB Cc1noc(C)c1CSc1ncccc1C(=O)NC[C@H]1CN(CC(C)C)CCO1 28017721 BZHRNDRKCPONGV-KRWDZBQOSA-N 418.563 3.065 0 40 HGAB Nc1nc(CN2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)nc2ccccc12 29862197 IWDQJOGFFYFLJG-UHFFFAOYSA-N 415.419 3.189 0 40 HGAB C[C@H]1C[C@@H](C)CN(S(=O)(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 32755132 OHNWCFHJLKVKJA-GASCZTMLSA-N 405.486 3.050 0 40 HGAB C[C@@H](Sc1nnc(C(F)(F)F)n1N)C(=O)Nc1nc(-c2ccccc2)cs1 36184477 ZBPBMNXIJDMBBH-MRVPVSSYSA-N 414.438 3.254 0 40 HGAB C[C@H](OC(=O)C1=NN(c2ccc(F)cc2)[C@@H](C(N)=O)C1)c1nc2ccccc2s1 40062699 PMFQXSDFWLOLAQ-MEDUHNTESA-N 412.446 3.160 0 40 HGAB O=C(NCCCNc1ccc(C(F)(F)F)cn1)Nc1cccnc1-n1cccn1 46904024 NFTVSQGCSZMCDQ-UHFFFAOYSA-N 405.384 3.305 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN[C@@H](C)c1ccccc1 57318554 XFKKXSUFTOUBAX-SFHVURJKSA-N 415.559 3.459 0 40 HGAB CCCOC(=O)c1nnc2sc(-c3cccc(I)c3)nn12 57338980 UPIMHIRKTWUVTN-UHFFFAOYSA-N 414.228 3.024 0 40 HGAB O=C(Nc1ccccc1C(=O)O)c1cc(S(=O)(=O)Nc2ccccc2)cs1 57762999 JFTDPQQYHDSCDK-UHFFFAOYSA-N 402.453 3.499 0 40 HGAB O=C(c1ccco1)N1CCN(c2c(C(=O)N3CCCC3)cnc3ccc(F)cc23)CC1 67288015 MCOSNSXTAJNCCG-UHFFFAOYSA-N 422.460 3.165 0 40 HGAB O=C(Nc1nc2ccc(Cl)cc2s1)C1CN(C(=O)c2ccc3c(c2)OCO3)C1 70816645 PBHAEFZPYQKEIA-UHFFFAOYSA-N 415.858 3.389 0 40 HGAB C[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)[C@@H]2CCCC[C@H]12 78648255 AEFSRUBFMVGIRF-XRULBBBTSA-N 420.575 3.185 0 40 HGAB CCOC(=O)[C@@H]1Oc2c(c(=O)oc3ccccc23)[C@@H]1c1cc2ccccc2n(C)c1=O 79191618 RYMCCCGKAGFXQP-GHTZIAJQSA-N 417.417 3.101 0 40 HGAB biogenic C[C@H]1C[C@@H]1C(=O)N1CCN(C(=O)CCSc2ccc(Br)cc2)CC1 89920401 SSGZNEQBPSKHMI-BBRMVZONSA-N 411.365 3.258 0 40 HGAB CC1CCC2(CC1)NC(=O)N(CC(=O)OCC(=O)c1ccc3ccccc3c1)C2=O 89922993 VWENAEWWXIMQOL-UHFFFAOYSA-N 408.454 3.066 0 40 HGAB CC(C)(C)NC(=O)N1CCC(CNC(=O)c2cc(Br)cs2)CC1 96120322 LQQYERRCWNLENO-UHFFFAOYSA-N 402.358 3.461 0 40 HGAB O=C(NCc1cccnc1)c1ccc2nnc([C@@H]3CCN(Cc4ccccc4)C3)n2c1 96156153 YYGFYJWSTMDCIC-HXUWFJFHSA-N 412.497 3.044 0 40 HGAB Cc1cccc(N2C(=O)C[C@@H](c3c(C)nn(-c4nc5ccccc5o4)c3O)C2=O)c1 100068953 VYKABTISKQLBDA-HNNXBMFYSA-N 402.410 3.383 0 40 HGAB CO[C@H]1CC[C@H](C(=O)NCCNc2nc(-c3ccncc3)cc3ncccc23)CC1 100224608 JTTRKMRLGAZXEM-HDICACEKSA-N 405.502 3.425 0 40 HGAB Cc1cccc(N(CN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@@H]3C2=O)C(=O)C(F)(F)F)c1C 100395337 PNWHRTXUMWLGCL-CNGUFQHNSA-N 418.415 3.209 0 40 HGAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccccc2Cl)cc1Cl 107598234 KNQCVFJZIJITHM-SNVBAGLBSA-N 403.287 3.308 0 40 HGAB COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2nnc(-c3ccccc3)s2)c1 223277803 HAAJQYAVYBLMPN-UHFFFAOYSA-N 409.876 3.446 0 40 HGAB Cc1cc(C(=O)Nc2nnc(-c3ccccc3)s2)ccc1N(C)S(C)(=O)=O 223553400 BTSRNQXPRMJSSC-UHFFFAOYSA-N 402.501 3.162 0 40 HGAB O=C(NCCOCc1ccccc1)c1ccccc1NS(=O)(=O)c1ccccc1 223932526 ZYZOMIZOBBIKOD-UHFFFAOYSA-N 410.495 3.434 0 40 HGAB CCOc1ccc(C(=O)NC(C)(C)C)cc1CN(C)S(=O)(=O)c1ccccc1 224809261 MTGZEVMHFBWPOQ-UHFFFAOYSA-N 404.532 3.434 0 40 HGAB COc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)C(C)C)c2ccc(F)cc2)cc1 225198813 YPIIBIQMMSSBPG-HNNXBMFYSA-N 408.495 3.190 0 40 HGAB Cc1ccc([C@H]2OC[C@H]3O[C@@H](c4ccc(C)c(C)c4)O[C@H]([C@H](O)CO)[C@H]3O2)cc1C 238809658 YWEWWNPYDDHZDI-WVYLNQBTSA-N 414.498 3.170 0 40 HGAB COc1ccc(CCNC(=O)[C@@H]2C[C@H]3CC[C@H]2C[C@@]32NC(=O)c3ccccc3O2)cc1 247911655 KTVSJXZCKHYJBB-JQYFYYESSA-N 420.509 3.309 0 40 HGAB Cc1nc(C)c(C(=O)NC[C@H]2CC[C@H](C(=O)NCCN3CCc4ccccc43)CC2)o1 257262915 LNPVLSGMHQJWJJ-KESTWPANSA-N 424.545 3.007 0 40 HGAB CN(C(=O)c1ncn2c1-c1nc(NCc3ccccn3)ncc1CC2)C1CCCCC1 306127811 GIDGKJZDPXUYNR-UHFFFAOYSA-N 417.517 3.308 0 40 HGAB c1cc(-c2ccc3c([C@H]4CN(Cc5ccc6c(c5)OCO6)CCO4)nnn3c2)ccn1 306140991 VIJJPBNWFYVOKY-JOCHJYFZSA-N 415.453 3.094 0 40 HGAB CCN(CC)C(=O)Nc1ccc(S(=O)(=O)N(C)Cc2ccc(OC)cc2)cc1 408589480 HXVYIEHUITVNFA-UHFFFAOYSA-N 405.520 3.390 0 40 HGAB O=C(COC(=O)c1cccc(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)c1)Nc1ccc(F)cc1 408659101 LZGNVAWCOKAWFF-RTBURBONSA-N 424.428 3.301 0 40 HGAB C[C@]1(c2ccc(CNC(=O)[C@H]3C[C@@H]3c3cccc4ccccc34)cc2)NC(=O)NC1=O 517396802 NTLFOUIEACNOEL-TYBLODHISA-N 413.477 3.314 0 40 HGAB Cc1oc(-c2cnn(C)c2)nc1C(=O)N1CCO[C@H](c2cccc(OC(F)F)c2)C1 536292193 JIGLSQUPTCHRBD-INIZCTEOSA-N 418.400 3.199 0 40 HGAB O=C([C@H]1Cc2ccccc2CO1)N1CC[C@H](c2ccccc2Cl)S(=O)(=O)CC1 575618350 VJNOJDFUQJULSV-WOJBJXKFSA-N 419.930 3.170 0 40 HGAB C[C@H]1C[C@H](NC(=O)N2Cc3ccccc3-c3ccccc3C2)C(=O)N1c1cnn(C)c1 608733027 JAUUXHOIOXRZIF-AOMKIAJQSA-N 415.497 3.306 0 40 HGAB O=S(=O)(NC[C@@H](O)c1ccc(-c2ccsc2)s1)c1cccc2nsnc12 1775972012 SEIBEIPRERJOSL-GFCCVEGCSA-N 423.566 3.493 0 40 HGAB CN(c1ncc(Cl)cn1)C1CCN(C(=O)c2ccc(Cn3ccnc3)cc2)CC1 1848638389 SXZJGEJWIPSCAY-UHFFFAOYSA-N 410.909 3.116 0 40 HGAB CCn1cc(CN2CCC[C@@]3(CC2)CN(c2ccc(F)cc2)C(=O)CO3)c(C)n1 2037988801 IWKHYIFHGOUJPL-JOCHJYFZSA-N 400.498 3.139 0 40 HGAB Cc1ccccc1Nc1nc(N)nc(CSCC(=O)N2CCc3ccccc32)n1 2617527 QMAFQJMZUIVVTC-UHFFFAOYSA-N 406.515 3.328 0 40 HGAB C[C@H](NC(=O)CCn1nc(-c2ccc3c(c2)OCO3)ccc1=O)c1ccc(F)cc1 41253869 VNKKGQRTYSKLBP-AWEZNQCLSA-N 409.417 3.046 0 40 HGAB Cc1c(C)n2c3c(=O)n(Cc4ccccc4F)c(=O)n(C)c3nc2n1C1CCCC1 4945217 MILSDMYSOQOCLJ-UHFFFAOYSA-N 409.465 3.069 0 40 HGAB CC(=O)c1c(C)[nH]c(C(=O)Cn2nnc(-c3ccc(Br)cc3)n2)c1C 7006613 STDJCIZVEKXWPR-UHFFFAOYSA-N 402.252 3.133 0 40 HGAB CN(Cc1cc(F)cc2c1OCOC2)S(=O)(=O)c1cccc(Br)c1 32916448 AUMZDBZFAYOGNA-UHFFFAOYSA-N 416.268 3.275 0 40 HGAB C[C@H](C(=O)Nc1cccc(NC(=O)c2cccs2)c1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 102732932 XLQRYYOQHPQMOM-XYPHTWIQSA-N 423.494 3.279 0 40 HGAB CC1=C(C(=O)N2CCOCC2)[C@H](c2cccc(Oc3ccccc3)c2)n2ncnc2N1 10157062 FUBJMGCCPZASLZ-NRFANRHFSA-N 417.469 3.218 0 40 HGAB CCOC(=O)c1cccc(NC(=O)[C@@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)c1 10441528 CLRYDGOWLIWHLJ-CYBMUJFWSA-N 424.906 3.310 0 40 HGAB CCC(C)(C)n1nnnc1[C@H](c1cc2cc3c(cc2nc1O)OCO3)N1CCCCC1 8677485 FPNQLYNCFFBWQL-IBGZPJMESA-N 424.505 3.376 0 40 HGAB CC(=O)N[C@H]1CC[C@]2(C)CC[C@@H]([C@H](C)C(=O)NCc3ccc(F)cc3)[C@H](O)[C@H]2[C@@H]1C 20466094 HHVXTHDWGRNAJO-FSMONTQVSA-N 418.553 3.406 0 40 HGAB biogenic,in-vitro CC(C)[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NC[C@H](C(C)C)N(C)C 22754473 VGXMPTSHGXICLL-SJORKVTESA-N 402.366 3.450 0 40 HGAB CCOc1ccc(OCCCC(=O)NC2CCN(C(=O)c3ccoc3)CC2)cc1 22900575 ZPYVNLQIDJJGLZ-UHFFFAOYSA-N 400.475 3.258 0 40 HGAB CC[C@H](NC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1)c1ccc(OC)cc1 20494962 GDIRLCPRDFKFHQ-SFHVURJKSA-N 422.572 3.425 0 40 HGAB COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc(OC)c(OC)c2)N1C(C)=O 3136024 RVPFBYKTOAVCLZ-AVRDEDQJSA-N 408.454 3.221 0 40 HGAB biogenic NC(=O)N[C@H](CC(=O)N1CCC[C@@H](C(F)(F)F)C1)c1ccc(Br)cc1 24438670 XYKOGBPKWIGOQG-DGCLKSJQSA-N 422.245 3.350 0 40 HGAB O=C(c1ccccc1)N1C[C@H](CNCc2cc(F)cc3cccnc23)N2CC[C@H]1C2 108367026 UHSOGWXCDGWBTE-VXKWHMMOSA-N 404.489 3.062 0 40 HGAB CC1CCN(S(=O)(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)CC1 27588685 OPEPTVXHPDACPT-UHFFFAOYSA-N 413.587 3.370 0 40 HGAB COCCN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@@H]2c2ccc(Cl)cc2)C1=O 2102945 SQJIYSHGLGXDMO-UGKGYDQZSA-N 423.900 3.153 0 40 HGAB biogenic Cc1csc(CCNC(=O)[C@H]2CC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)n1 48123331 BZJHUDRXRYTKBJ-AWEZNQCLSA-N 411.449 3.178 0 40 HGAB C[C@H]1C[C@H](C)CN(Cc2ccc(CNC(=O)C3CCN(C(=O)C4CC4)CC3)cc2)C1 48310745 ORQHBCOWTMCPRX-OALUTQOASA-N 411.590 3.429 0 40 HGAB CC(C)OCCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1 408556390 IENRMGHDXUJZNY-HXUWFJFHSA-N 418.559 3.172 0 40 HGAB CCOc1ccc(-c2nc(C(=O)N(C)CC(=O)Nc3cc(C)on3)cs2)cc1 48325156 RDKPYJWUJZPYHX-UHFFFAOYSA-N 400.460 3.216 0 40 HGAB CC(=O)c1cccc(OCC(=O)Nc2c(C(=O)N3CCOCC3)oc3ccccc23)c1 12853980 IKUZZFLNCJCBAV-UHFFFAOYSA-N 422.437 3.125 0 40 HGAB Cc1cc2nc(COC(=O)c3ccccc3NC(=O)c3cccs3)cc(=O)n2o1 21633641 NCRCXWRFPAKYPJ-UHFFFAOYSA-N 409.423 3.267 0 40 HGAB O=C(C1CCN(S(=O)(=O)c2ccccc2)CC1)N(Cc1ccccc1F)C1CC1 12997549 IJWWYHQUNBFCPG-UHFFFAOYSA-N 416.518 3.418 0 40 HGAB CCOc1cc2c(cc1NC(=O)c1ccc(Cl)c(S(=O)(=O)NC)c1)O[C@H](C)C2 12939421 NIJDQNXSEZLQSV-LLVKDONJSA-N 424.906 3.223 0 40 HGAB O=C(CN1C(=O)NC(Cc2ccccc2)(Cc2ccccc2)C1=O)NC1CCCCC1 6051777 UNWWDWRXSKWJGC-UHFFFAOYSA-N 419.525 3.211 0 40 HGAB Cc1cc(C(=O)COC(=O)CNC(=O)c2ccccc2)c(C)n1Cc1cccs1 5061379 YVXNZQVWABYKCH-UHFFFAOYSA-N 410.495 3.371 0 40 HGAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2nnc(-c3ccncc3)n2C)c1C 6139307 SVRSIANCMRUNSQ-ZDUSSCGKSA-N 413.503 3.362 0 40 HGAB COc1ccc(/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)cc1O 409215795 FJLHFRMYCBUTGD-ODLFYWEKSA-N 424.478 3.022 0 40 HGAB CCOc1ccc(CN(C(=O)c2ccccc2OCC)[C@@H]2CCS(=O)(=O)C2)cc1 5350599 JGZBONCJQBBJPH-GOSISDBHSA-N 417.527 3.314 0 40 HGAB Cc1nc(NCc2ccccc2S(=O)(=O)N(C)C)c2c3c(sc2n1)CCC3 14325993 JYIXOFGHMKPVMA-UHFFFAOYSA-N 402.545 3.351 0 40 HGAB Cc1ccc(=O)n([C@H](C(=O)c2ccc(F)cc2)C(=O)N2CCc3ccccc3C2)c1 4698656 NLSBDIHPBQSYOT-JOCHJYFZSA-N 404.441 3.305 0 40 HGAB COc1ccccc1CC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1OC 5558941 UZMKDFXNQAGRLI-UHFFFAOYSA-N 418.515 3.060 0 40 HGAB COc1ccc(-c2noc(CCC(=O)Nc3ccc(N4CCOCC4)cc3)n2)cc1 8715414 MBLJRKOUSKPLEG-UHFFFAOYSA-N 408.458 3.153 0 40 HGAB O=C(NCc1ccccc1CN1CCC[C@H]1CO)c1cc(F)cc(Br)c1 96007078 MNVYPNMOGNDWQV-IBGZPJMESA-N 421.310 3.475 0 40 HGAB COc1cccc(N2C[C@H](C(=O)OCC(=O)Nc3ccc(C)c(Cl)c3)CC2=O)c1 408643617 AYOOJWXRZRILLG-CQSZACIVSA-N 416.861 3.192 0 40 HGAB NC(=O)c1ccsc1NC(=O)CSc1nnc(Cc2cccs2)n1C1CC1 9496378 PPULFJFSFABGJZ-UHFFFAOYSA-N 419.557 3.157 0 40 HGAB CC(=O)N[C@H]1CCCN(C(=O)c2cc3c(C)nn(Cc4ccc(F)cc4)c3s2)C1 71805000 AIUROLGEIMOVFW-KRWDZBQOSA-N 414.506 3.334 0 40 HGAB Cc1cccc(N(C)S(=O)(=O)c2nnc(NC(=O)/C=C/c3ccccc3)s2)c1 20486745 CWSYOFKRCANKLE-VAWYXSNFSA-N 414.512 3.324 0 40 HGAB CCOC(=O)c1cnc2c(c(C)nn2C)c1NCc1cc(OC)c(OC)c(OC)c1 95997077 CJYUVQUMKSWTIY-UHFFFAOYSA-N 414.462 3.091 0 40 HGAB Cc1cc(C)c(-c2c3c(nc4c2c(=O)n(C)c(=O)n4C)-c2ccccc2[C@@H]3O)c(C)c1 408981469 HRGHHEJIKTZFHK-QFIPXVFZSA-N 413.477 3.287 0 40 HGAB O=C(NCC1CC1)[C@@H]1CCCN(C(=O)c2ccc3c(c2)nc(O)n3C2CCCC2)C1 512174976 IZVZACLFMMPOGH-QGZVFWFLSA-N 410.518 3.235 0 40 HGAB CC(C)n1nccc1[C@@H]1CN(C(=O)N(C)C)C[C@]12CCCN(Cc1ccccc1)C2=O 306144291 ZBQCAKXTOYIEEC-GBXCKJPGSA-N 423.561 3.354 0 40 HGAB CCn1cc(-c2nnc(SCC(=O)Nc3ccc(Br)cc3)o2)cn1 32604078 UAZYEYDVRQNRAM-UHFFFAOYSA-N 408.281 3.446 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)CCc1ccc(C)cc1 38771596 PZBSMLREHQRVJK-UHFFFAOYSA-N 402.516 3.359 0 40 HGAB CS(=O)(=O)N1CC[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)Oc2ccccc21 38834744 RZWRZIFUTHQYJN-INIZCTEOSA-N 414.405 3.261 0 40 HGAB CCOC(=O)c1cccc(NC(=O)CCCN(c2ccc(C)cc2)S(C)(=O)=O)c1 219626868 NYQPMADOAQIBEE-UHFFFAOYSA-N 418.515 3.357 0 40 HGAB CCC(=O)N1CCCC[C@H]1c1nc(C)c2c(n1)N(Cc1ccc(OC)cc1)C(=O)C2 72371853 QLKHNOLSEDGTKX-IBGZPJMESA-N 408.502 3.347 0 40 HGAB COCc1nnc(NC(=O)c2cnn(-c3ccc(F)cc3F)c2-n2cccc2)s1 49547279 IHYWTACIULRWNX-UHFFFAOYSA-N 416.413 3.191 0 40 HGAB COc1ccc(N([C@@H](C)C(=O)Nc2ccccc2SC)S(C)(=O)=O)cc1OC 220235905 CHHRRRYHQDNRNJ-ZDUSSCGKSA-N 424.544 3.219 0 40 HGAB COC(=O)c1ccc(NC(=O)c2ccc(CS(=O)(=O)N3CCCCC3)cc2)cc1 44903757 HUPRCDMLEMVKCW-UHFFFAOYSA-N 416.499 3.041 0 40 HGAB COc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](C)CC(C)(C)c2ccccc2)cc1 223990109 SFFYROQAFDTHQI-KRWDZBQOSA-N 418.559 3.188 0 40 HGAB CSc1cccc(NC(=O)COc2ccc(S(=O)(=O)NC3CC3)cc2C)c1 223055999 UUWZVYVROWBPLI-UHFFFAOYSA-N 406.529 3.175 0 40 HGAB CCCN(CCC)C(=O)Cn1c(=O)n(CCc2ccccc2)c(=O)c2ccccc21 44839503 ZGUBGJZEJUIBFM-UHFFFAOYSA-N 407.514 3.055 0 40 HGAB CCOCC(=O)N1CC[C@H](Oc2ccccc2)[C@@H](CC(=O)N(C)Cc2ccccc2)C1 257202285 ALDVBFZPNQCKHW-GMAHTHKFSA-N 424.541 3.368 0 40 HGAB Cc1cccc(S(=O)(=O)NCCC(=O)NCc2ccnc(-c3cccs3)c2)c1 252533004 FRLVHGZGTBJICE-UHFFFAOYSA-N 415.540 3.103 0 40 HGAB COc1ccc(CCN(CC(=O)O)C2CCN(c3cccc(F)c3)CC2)cc1OC 257248206 JCQAATBXZLRZCD-UHFFFAOYSA-N 416.493 3.441 0 40 HGAB CC(=O)N1[C@@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)c1ncccn1 257232648 GLVCGVNCNMMEQM-CZLVRFMKSA-N 418.541 3.482 0 40 HGAB Cc1nn(C)c(C)c1-c1cc(C(=O)N2CCC[C@H]2c2cccc3c2OCCO3)n[nH]1 589580962 QJVMGCOSDOFMLJ-SFHVURJKSA-N 407.474 3.176 0 40 HGAB Cc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1S(N)(=O)=O 607044272 PGDSBEQULGDOFZ-UHFFFAOYSA-N 406.467 3.438 0 40 HGAB O=C(C1CCOCC1)N1CCC[C@H](c2ccc(-c3noc(C(F)(F)F)n3)cn2)C1 585290723 VLKPNQHWNZIVAU-AWEZNQCLSA-N 410.396 3.283 0 40 HGAB CC[C@@H](Cn1nc2c(cc1=O)CCCCC2)NC(=O)Cc1c(F)cccc1Cl 72325082 IBVILCRDXCHNPI-HNNXBMFYSA-N 405.901 3.442 0 40 HGAB O=C(NCC12CC3CC(CC(C3)C1)C2)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 5612387 TYVUMLFAVCYRHK-ZWGBCBFGSA-N 410.514 3.143 0 40 HGAB COc1ccc2c(c1)C=C(CN(CCCN1CCOCC1)Cc1cccnc1)CO2 12118026 KXJPUYAUZMTINT-UHFFFAOYSA-N 409.530 3.091 0 40 HGAB CSc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3c(C)noc3C)C2)cc1 12873939 YTEIWLDLDFLPDZ-CQSZACIVSA-N 409.533 3.053 0 40 HGAB CNS(=O)(=O)Cc1ccccc1CNC(=O)c1cccc(OCc2ccccc2)c1 12890570 DSWLLVNWXQBZMX-UHFFFAOYSA-N 424.522 3.245 0 40 HGAB CN1CCC(N(C[C@H]2CCCO2)C(=O)c2n[nH]c3c2C[C@@H](C(C)(C)C)CC3)CC1 19082379 FSYYZQNTUZPECY-FUHWJXTLSA-N 402.583 3.276 0 40 HGAB Cc1nn(CC(C)C)cc1S(=O)(=O)NCc1noc(-c2ccc(Cl)cc2)n1 19552258 RYWOSJGOHLVEJZ-UHFFFAOYSA-N 409.899 3.029 0 40 HGAB CNC(=O)[C@]1(Cc2ccc(-c3ccccc3)cc2)CCCN(C(=O)c2cnccn2)C1 19591249 FLSAUWIPPSKWIX-VWLOTQADSA-N 414.509 3.355 0 40 HGAB CN(C)c1ncc(-c2ccc(C(N)=O)cc2)c([C@@H]2CCCN2C(=O)c2ccccc2)n1 19690440 WGOXAMRLZFRDEM-FQEVSTJZSA-N 415.497 3.286 0 40 HGAB CC(=O)N1CCC[C@H](c2cc(=O)[nH]c(C3CCN(CC4CCCCC4)CC3)n2)C1 19017007 WDBZVHSSBJSJOR-FQEVSTJZSA-N 400.567 3.256 0 40 HGAB COc1ccc([C@@H]2c3c(C)nn(C)c3NC(=O)[C@H]2NC(=O)c2cccc(C)c2)cc1F 9252615 OMPFXIOFNYXEJB-UXHICEINSA-N 422.460 3.067 0 40 HGAB C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)NCCCc2ccccc2)C1=O 6784332 UIHJZRXDCMMLSC-VWLOTQADSA-N 415.493 3.356 0 40 HGAB COc1ccc2c(=O)n(CC3CCN(C(=O)NCc4ccc(F)cc4)CC3)cnc2c1 1889279056 QVJDXWIYMHVQRL-UHFFFAOYSA-N 424.476 3.166 0 40 HGAB COc1ccc(N2C[C@@H](C(=O)Nc3ncc(-c4ccccc4)n3C)CC2=O)c(OC)c1 36752715 QJHYXLPRCUHDED-INIZCTEOSA-N 420.469 3.096 0 40 HGAB CC(=O)N1C[C@H](c2cccc(CN(C)C)c2)[C@@H](C(=O)N(C)CCc2ccccc2)C1 2037834509 LZJWRFSLNGWTCG-RPWUZVMVSA-N 407.558 3.011 0 40 HGAB O=C(CN1CCC[C@](O)(COc2ccc(F)cc2)C1)Nc1ccc(OC(F)F)cc1 2037915987 FSGZVDSQYZJTFY-OAQYLSRUSA-N 424.419 3.272 0 40 HGAB COc1ccc(-c2noc(C(=O)NCc3ccc(-n4cccc4)cc3)n2)cc1OC 4708097 ZKIIYBDQJSXJFA-UHFFFAOYSA-N 404.426 3.475 0 40 HGAB COc1cc(C(=O)NCCOc2ccc(-c3cccs3)nn2)cc(OC)c1OC 9853284 YLVFBVGIWFNXCR-UHFFFAOYSA-N 415.471 3.040 0 40 HGAB Cc1ccc(-n2ccnc2N2CCN(C(=O)c3cc(=O)c4ccccc4o3)CC2)cc1 11695673 SBGXAYWUJXCRKN-UHFFFAOYSA-N 414.465 3.250 0 40 HGAB COc1cc(NC(=O)CSc2ccc(NC(=O)c3ccco3)nn2)cc(OC)c1 11739302 SQUPYWLIHNGKMG-UHFFFAOYSA-N 414.443 3.070 0 40 HGAB O=C(Nc1nccs1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 23105432 ZGTZKFFMYMVIJY-UHFFFAOYSA-N 406.511 3.015 0 40 HGAB CCCOc1ccc(-c2nc3s/c(=C\c4cc(OC)ccc4OC)c(=O)n3n2)cc1 2258412 HHFJKSYODFIQJS-UYRXBGFRSA-N 423.494 3.172 0 40 HGAB C[C@@H]1C[C@@H]1c1ccc(CN(C)S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)o1 40091316 NBYVAOPCLJIXFV-PWSUYJOCSA-N 410.879 3.208 0 40 HGAB O=C(NCc1ccccc1Cl)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 801521 NGONYWQTMISYQC-KRWDZBQOSA-N 413.326 3.463 0 40 HGAB CCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1 802922 ZBCZVYPNVVAGAO-UHFFFAOYSA-N 400.456 3.409 0 40 HGAB COc1ccc(CNC(=O)[C@@H](C(=O)c2ccccc2)n2cc(Cl)ccc2=O)cc1 819386 PWLWTQNWBIUUNF-HXUWFJFHSA-N 410.857 3.251 0 40 HGAB COc1ccc(NC(=S)N(CCO)Cc2cc3cc(C)cc(C)c3[nH]c2=O)cc1 875471 FJYWKCAYIFMQSQ-UHFFFAOYSA-N 411.527 3.345 0 40 HGAB CCOC(=O)[C@@H](C)Oc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1 958550 ICZBSLUSQCXGDK-GFCCVEGCSA-N 416.499 3.309 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3cccs3)C2)cc1Cl 1365517 CMCOLGNBSKGELM-CQSZACIVSA-N 412.964 3.427 0 40 HGAB O=S(=O)(NCc1cccnc1)c1cccn1-c1ncc(C(F)(F)F)cc1Cl 1385645 VQFCLPJKPDFBPX-UHFFFAOYSA-N 416.812 3.418 0 40 HGAB Cc1ccc(-n2c(SCC(=O)N3CCNC3=O)nnc2-c2ccccc2)cc1C 3340074 GFVXGYNYBLGOQN-UHFFFAOYSA-N 407.499 3.195 0 40 HGAB COc1ccc(CNC(=O)[C@@H](C)Sc2nnc(-c3ccc(F)cc3)n2C)cc1 3390544 OCLUPJMXPFFWNC-CYBMUJFWSA-N 400.479 3.427 0 40 HGAB Cc1cc(NC(=O)CSc2nc3ccccc3c(=O)n2Cc2ccccc2)no1 3437174 YPDPCGRYBOFGQL-UHFFFAOYSA-N 406.467 3.472 0 40 HGAB Cc1cccc(C(C)C)c1NC(=O)COC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O 3480209 PJSCUJDGVFXPAC-OAHLLOKOSA-N 408.454 3.285 0 40 HGAB C[C@@H](Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1)C(=O)N1CCC[C@@H]1C(=O)O 4026866 CMBDKCKWKSHDKO-AUUYWEPGSA-N 407.422 3.303 0 40 HGAB biogenic O=c1cccc2n1C[C@@H]1C[C@H]2CN(C(=S)Nc2ccc(Br)cc2)C1 4135127 FQOFHQPANZZZDH-OLZOCXBDSA-N 404.333 3.427 0 40 HGAB CNC(=S)N(CCc1cccc(C)c1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 4160484 JOQVYKCFIGKPKM-UHFFFAOYSA-N 409.511 3.114 0 40 HGAB O=C(CSc1nnc(NC(=O)Cc2ccc(F)cc2)s1)NCc1ccccc1 4328787 KYXGFVHIXKLFCB-UHFFFAOYSA-N 416.503 3.267 0 40 HGAB CC(C)CNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(F)cc2)c(Cl)c1 4689051 JQFBWMGQQHOWSF-UHFFFAOYSA-N 414.886 3.431 0 40 HGAB CC[C@@H](c1nnnn1CCOC)N(Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCC1 4847482 YXSYKQYNDJUNJK-NRFANRHFSA-N 424.549 3.365 0 40 HGAB CCOC(=O)COc1ccc(/C=C2/SC(=O)N(CC(=O)OC(C)(C)C)C2=O)cc1 5007493 HVOUMNMKVBAAEW-XNTDXEJSSA-N 421.471 3.007 0 40 HGAB O=C(CSc1nnc(Cc2ccc(Cl)cc2)c(=O)[nH]1)Nc1ccccc1F 5154673 OVCOGFRUKMHSQD-UHFFFAOYSA-N 404.854 3.279 0 40 HGAB COc1ccc(C(=O)N2CCN(c3nc4c(OC)cccc4s3)CC2)cc1OC 5181709 WPKGUDCVZDWWSK-UHFFFAOYSA-N 413.499 3.285 0 40 HGAB Cc1cc(NS(=O)(=O)c2ccc3c(c2)OCCO3)ccc1N1CCCCC1=O 5329849 QMTHZOAJYOXPGC-UHFFFAOYSA-N 402.472 3.084 0 40 HGAB O=C(COc1ccccc1C(=O)NCc1ccccc1)Nc1ccc2c(c1)OCO2 5437644 PTIHMQBGMKETOV-UHFFFAOYSA-N 404.422 3.363 0 40 HGAB CCN(CC)S(=O)(=O)c1cc(NC(=O)COc2ccc(C(C)=O)cc2)ccc1C 5443667 YCRKIHAOHDZAGR-UHFFFAOYSA-N 418.515 3.246 0 40 HGAB Cc1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3cc(F)ccc3F)C2=O)c(Cl)c1 5791529 LYSSSQKSDANCFB-IBGZPJMESA-N 407.804 3.332 0 40 HGAB Cc1cc(C)cc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)c1 6386836 JFGRHGKWRSJMEN-UHFFFAOYSA-N 408.907 3.230 0 40 HGAB Cc1ccc(OCC(=O)N(Cc2cccc(F)c2)[C@H]2CCS(=O)(=O)C2)cc1C 6810989 LDZQHDYFPKIKQA-IBGZPJMESA-N 405.491 3.037 0 40 HGAB CC1CCN(S(=O)(=O)c2nnc(NC(=O)c3ccc(C(C)C)cc3)s2)CC1 6817792 NMXVLKIORSIIPR-UHFFFAOYSA-N 408.549 3.334 0 40 HGAB COc1ccc(OC)c([C@H]2CCCN2C(=O)COc2ccc(Cl)cc2C(N)=O)c1 7022805 VKCQRSMYONLYEN-QGZVFWFLSA-N 418.877 3.199 0 40 HGAB CC(=O)c1ccccc1NC(=O)CN1C[C@H](C(=O)N2CCCCC2)Oc2ccccc21 7252025 QNMBHTJHMZXKAA-JOCHJYFZSA-N 421.497 3.108 0 40 HGAB CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1 7309501 CXWURSXMOFPXQV-GOSISDBHSA-N 417.483 3.160 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(OC)c(NCC(=O)Nc2cccc(C)c2)c1 7975760 SCJTZRTUGRPISZ-UHFFFAOYSA-N 405.520 3.085 0 40 HGAB CC(=O)c1cccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3)C2)c1 8036426 RRBXTXRWWUMXSG-HNNXBMFYSA-N 414.845 3.077 0 40 HGAB COCCCn1c(C)cc(C(=O)CN2C(=O)N[C@@]3(CCCc4ccccc43)C2=O)c1C 8428359 MHYXNKNGOKFUEX-XMMPIXPASA-N 423.513 3.108 0 40 HGAB COc1cccc(NC(=O)NCCS(=O)(=O)c2c(C)n(C)c3ccccc23)c1 8808465 ICPKGOIAXKPTEF-UHFFFAOYSA-N 401.488 3.091 0 40 HGAB CCOc1ccc(N2C[C@H](CNS(=O)(=O)c3ccc(C)c(C)c3)CC2=O)cc1 9036232 AQTRQSFFHHIPFW-KRWDZBQOSA-N 402.516 3.034 0 40 HGAB Cn1c(=O)c2c(nc3n(-c4ccc(Cl)cc4)c(-c4ccc(F)cc4)cn23)n(C)c1=O 9209451 XKXDFSDUHVFJNB-UHFFFAOYSA-N 423.835 3.135 0 40 HGAB C[C@H](NC(=O)CSc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)c1ccccc1 9377784 JOSCAOFRDBOIJJ-AWEZNQCLSA-N 405.483 3.078 0 40 HGAB O=S(=O)(NCCc1csc2nc(-c3ccccc3F)nn12)c1cccc(F)c1 9569574 MTLBBWQGVZQRGL-UHFFFAOYSA-N 420.466 3.257 0 40 HGAB CCS(=O)(=O)c1ccc(-c2ccc(NC(=O)c3ccc(F)c(F)c3)cc2)nn1 9787035 LABGZOSOPRHSKY-UHFFFAOYSA-N 403.410 3.468 0 40 HGAB CCOC(=O)C1=C(COC(=O)c2cccc(C)c2C)NC(=O)N[C@@H]1c1cccs1 9949865 QRPMLMAUGUZNBW-GOSISDBHSA-N 414.483 3.393 0 40 HGAB Cn1c(=O)[nH]c(=O)c2c1nc1n(-c3ccc(Cl)cc3)c(-c3ccc(F)cc3)cn21 10104492 WLMBELCATLFPQD-UHFFFAOYSA-N 409.808 3.125 0 40 HGAB COC(=O)c1ccccc1NC(=O)[C@@H](C)N(c1cc(Cl)ccc1C)S(C)(=O)=O 10433884 PYSAZCJGXUPJTR-CYBMUJFWSA-N 424.906 3.228 0 40 HGAB COc1cn(-c2ccccc2)nc1C(=O)N1CCC(C(=O)Nc2ccccc2)CC1 10446220 VYLREEMYYHWZSU-UHFFFAOYSA-N 404.470 3.372 0 40 HGAB CCOC(=O)C1CCN(C(=O)CSc2nccn2-c2cccc(Cl)c2)CC1 10875634 QLWIXRJDSOIVDM-UHFFFAOYSA-N 407.923 3.420 0 40 HGAB O=C(Nn1cnc2c(cnn2-c2cccc(Cl)c2)c1=O)c1cccc(Cl)c1 11665748 FHGVZLJSHCICTF-UHFFFAOYSA-N 400.225 3.273 0 40 HGAB CCc1c(C)nc2cc([C@@H]3CCN(Cc4ccc(OCCOC)cc4)C3)nn2c1O 12276393 RLDRSOZZNNGPTE-GOSISDBHSA-N 410.518 3.320 0 40 HGAB COc1ccc(CCN(C)S(=O)(=O)c2cccc3cc(C)cnc23)cc1OC 12527700 BVEJFBFPWNSWIM-UHFFFAOYSA-N 400.500 3.424 0 40 HGAB COc1ccc(C)cc1[C@@H](C)NC(=O)CCc1nc(N)nc(Nc2ccccc2)n1 12597828 YMTILABOGCFPAC-OAHLLOKOSA-N 406.490 3.324 0 40 HGAB CC(=O)c1c(C)[nH]c(C(=O)CN2C(=O)N[C@@](C)(c3cc4ccccc4o3)C2=O)c1C 12602618 PWMZSQVMPZQUBO-QFIPXVFZSA-N 407.426 3.230 0 40 HGAB C[C@H]1C[C@@H](C)CN(Cc2csc(NC(=O)CNC(=O)c3ccccc3F)n2)C1 12783519 LAFDFCSACUHLBD-OKILXGFUSA-N 404.511 3.129 0 40 HGAB CN(C)S(=O)(=O)c1ccc(OCCSc2nc(-c3ccccc3F)n[nH]2)cc1 12820445 INTRUVVZJWQPNI-UHFFFAOYSA-N 422.507 3.032 0 40 HGAB CCOc1ccc(C(=O)[C@@H](C)OC(=O)c2cccc(N3CCCS3(=O)=O)c2)cc1 12891040 WQVVKPXPBCIXEX-OAHLLOKOSA-N 417.483 3.053 0 40 HGAB COc1ccc(OC)c([C@@H](C)NC(=O)Cn2c(S)nnc2-c2ccc(C)cc2)c1 12902455 LTEKRYHXAUEQHC-CQSZACIVSA-N 412.515 3.437 0 40 HGAB COc1cc(/C=C/C(=O)Nc2ccc(CN3C(=O)CCC3=O)cc2)cc(OC)c1OC 12910445 JIIPXXAXYQGMQS-RMKNXTFCSA-N 424.453 3.013 0 40 HGAB COc1cc(CCNC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)ccc1OC(F)F 12939160 HSMMSZXHWUUSIN-INIZCTEOSA-N 418.440 3.317 0 40 HGAB COc1ccc(OC)c(/N=c2\oc3cc(O)ccc3cc2C(=O)NC[C@@H]2CCCO2)c1 13426977 PZSPKPANSFHPDA-KZIRDTCISA-N 424.453 3.297 0 40 HGAB CC1CCC2(CC1)NC(=O)N(CN1CCC[C@@H]1c1ccc3c(c1)OCCCO3)C2=O 14248623 XWSGCLRPUYWEKG-BISSLNBESA-N 413.518 3.443 0 40 HGAB CN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)C1CCN(c2nc3ccccc3o2)CC1 14372513 NFECHYFJOVAWHJ-UHFFFAOYSA-N 423.498 3.001 0 40 HGAB CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@@H](C)c2ccc(F)cc2)ccc1OC 15389002 MAYUAHIDMREGSG-AWEZNQCLSA-N 408.495 3.356 0 40 HGAB CCOc1ccc(NC(=O)c2ccc(N3C(=O)[C@@H](C)CS3(=O)=O)cc2Cl)cc1 15858431 HZGHWPKXWNNKJO-LBPRGKRZSA-N 422.890 3.304 0 40 HGAB C[C@H]1CCC[C@@H](C)N1C(=O)COC(=O)c1ccc(I)cc1 15980968 OOUKIVONHVLVQW-TXEJJXNPSA-N 401.244 3.238 0 40 HGAB CCn1nc(C(=O)NCc2ccc(CN3CCCCC3)cc2)c2ccccc2c1=O 16506884 ZJMDDUJLXVRCQV-UHFFFAOYSA-N 404.514 3.332 0 40 HGAB Cc1cc(C)c(S(=O)(=O)N(CC(=O)N2CCCC2)Cc2ccccc2)c(C)c1 17082045 PXABVXRNQUVGKS-UHFFFAOYSA-N 400.544 3.425 0 40 HGAB C[C@H](Oc1ccc(F)cc1)C(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 18233063 RSJAIKMIJMOVEL-AWEZNQCLSA-N 414.433 3.199 0 40 HGAB Nc1nc(C(F)(F)F)nn1CC(=O)Nc1ccc2c(c1)CN(Cc1ccccc1)C2 19654506 FOXHKGHBDDZGTI-UHFFFAOYSA-N 416.407 3.034 0 40 HGAB O=C(CC1(O)CCCCC1)N1CCC(c2ccc(C(=O)N3CCCCC3)cn2)CC1 19708337 WEFLSMYUVMIZDK-UHFFFAOYSA-N 413.562 3.499 0 40 HGAB Cc1c(-c2ccnc3cc(C(=O)NCC(C)(C)c4cccc(F)c4)nn23)cnn1C 19719021 BXICNIFYPNTRRZ-UHFFFAOYSA-N 406.465 3.285 0 40 HGAB O=C(Cn1cccc(C(=O)NC2CCCC2)c1=O)NCC1(c2ccccc2)CCCC1 19746388 HZYONOJQKZGOLN-UHFFFAOYSA-N 421.541 3.149 0 40 HGAB CCCCNS(=O)(=O)c1ccc(OCC(=O)N[C@@H](C)c2ccccc2OC)cc1 20020827 ZHUNEBUNJJOACA-INIZCTEOSA-N 420.531 3.030 0 40 HGAB COc1ccccc1[C@H](c1nnnn1C(C)(C)C)N1CCN(c2ccc(F)cc2)CC1 20139552 PASVXYSEVNQGPG-OAQYLSRUSA-N 424.524 3.487 0 40 HGAB CCOc1cccc(N2C(=O)C[C@@H](N3CCC(c4nc5ccccc5[nH]4)CC3)C2=O)c1 20177803 VAVHKTJJNXADOB-OAQYLSRUSA-N 418.497 3.473 0 40 HGAB CCCCn1c(N2CCN(C(=O)C(C)C)CC2)nc2sc3c(c2c1=O)CCCC3 20718328 CBEPGRVIVQDRQJ-UHFFFAOYSA-N 416.591 3.442 0 40 HGAB COC(=O)[C@H](CC(C)C)NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(Cl)cc1 20723467 KRDDYXMIHOBXHX-FUHWJXTLSA-N 404.898 3.308 0 40 HGAB COC(=O)c1ccc2c(O)nc(CN3CCN(c4cccc(Cl)c4)CC3)nc2c1 21916279 TXPVHNMEHOJVNR-UHFFFAOYSA-N 412.877 3.098 0 40 HGAB Cc1cc(NC(=O)COC(=O)c2cnc3ccccc3n2)ccc1Br 22123256 OEHBRGDKBKBRFV-UHFFFAOYSA-N 400.232 3.496 0 40 HGAB CCCCNC(=O)CN1CCN(c2nc(C)nc3sc4c(c23)CC[C@@H](C)C4)CC1 22810129 KZTZQABHFXEOFV-OAHLLOKOSA-N 415.607 3.163 0 40 HGAB O=C(NC[C@@H]1COc2ccccc2O1)c1ccc(=O)n(Cc2ccccc2Cl)c1 22836946 FWHFQVVLKPHLLS-QGZVFWFLSA-N 410.857 3.120 0 40 HGAB Cc1nc(NC(=O)c2ccc(Br)c(S(=O)(=O)N(C)C)c2)sc1C 24042520 HADPQTWJZONTRQ-UHFFFAOYSA-N 418.338 3.025 0 40 HGAB Cc1nc(COc2ccc(C(=O)N(C)CC(=O)Nc3c(C)cccc3C)cc2)no1 24597386 QLSMRJRXGMJGGX-UHFFFAOYSA-N 408.458 3.285 0 40 HGAB C[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1 32612374 PFEOLQKKRPHBOV-HNNXBMFYSA-N 417.893 3.017 0 40 HGAB COc1ccc(OC)c(CN2CCN(CC(=O)N3CCC[C@@H]4CCCC[C@@H]43)CC2)c1 32751454 MKECULLHYWIRFG-UGKGYDQZSA-N 415.578 3.003 0 40 HGAB CC(C)c1cccc(NC(=O)CN(C)CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)c1 32860161 PTFYJSZMQAQMQR-KRWDZBQOSA-N 422.529 3.444 0 40 HGAB CN1CCN(C(=O)c2cccc(CN3C(=O)CSC3=O)c2)[C@@H](c2ccccc2)C1 32909522 FMRFZXSHPDHBDE-LJQANCHMSA-N 409.511 3.011 0 40 HGAB O=C1CN(c2ccc(NC(=O)COc3ccc(Oc4ccccc4)cc3)cc2)CCN1 32912855 ZJIQLXUFNIEDBT-UHFFFAOYSA-N 417.465 3.433 0 40 HGAB O=C(CSc1nc2ccccc2n1CC(=O)N1CCCCC1)NC1CCCC1 35312091 WYGPUXAIAQWPQN-UHFFFAOYSA-N 400.548 3.200 0 40 HGAB COc1ccc(-n2ncc(C(=O)N[C@H](C)c3ccc(F)cc3)c2C(F)(F)F)nn1 36694618 KCOUQXMILVRLKQ-SNVBAGLBSA-N 409.343 3.320 0 40 HGAB CN(C)Cc1ccc(CNC(=O)COc2cccc(NC(=O)c3ccco3)c2)cc1 40086569 UDLHEVJRTKBFBK-UHFFFAOYSA-N 407.470 3.289 0 40 HGAB CC[C@H](C)[C@H](NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(Cl)cc1)C(=O)OC 43735322 LZQXNDIRDZVDCF-ULFGMLNVSA-N 404.898 3.308 0 40 HGAB CS(=O)(=O)Nc1ccc(C(=O)NCc2ccc(CN3CCCC3)cc2)c(Cl)c1 44872801 JKPAJURWHFYPSQ-UHFFFAOYSA-N 421.950 3.237 0 40 HGAB CSc1nccn1-c1cccc(C(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)c1 45036094 DUCFKXPWIUAXMA-UHFFFAOYSA-N 416.528 3.111 0 40 HGAB Cc1c(C(=O)N[C@H](Cc2ccccc2)C(N)=O)cnn1-c1cccc(C(F)(F)F)c1 48356117 HQUQSAMSJJMJJJ-GOSISDBHSA-N 416.403 3.026 0 40 HGAB Cc1cc(C(=O)NC2CCCCC2)ccc1NC(=O)N[C@H](C)CN1CCCC1=O 48373952 ZQGCQJRHDPETGI-MRXNPFEDSA-N 400.523 3.190 0 40 HGAB Cc1ccc(CNC(=O)Cn2cccc(-c3nc(-c4ccccc4C)no3)c2=O)cc1 49002610 XAKHAGDSWUNUGV-UHFFFAOYSA-N 414.465 3.499 0 40 HGAB COc1cccc(C(=O)NC2CCN(C(=O)c3cc(-c4ccccc4C)n[nH]3)CC2)c1 49406851 RJMFIRZGOWWWTA-UHFFFAOYSA-N 418.497 3.428 0 40 HGAB Cc1ccc(-c2csc3ncnc(N4CCC[C@H](NS(C)(=O)=O)C4)c23)cc1C 52036704 SBJJXVZHNCYQRY-INIZCTEOSA-N 416.572 3.493 0 40 HGAB COc1cc(=O)oc(/C=C\C=C\C=C/C(C)=C\[C@@]2(C)O[C@@H](C)[C@](C)(O)[C@H]2O)c1C 62612995 JLSVDPQAIKFBTO-RXJMLZKMSA-N 402.487 3.318 0 40 HGAB CCS[C@@H]1CC[C@@H](N(C)CC(=O)NCc2ccccc2CN2CCCC2=O)C1 72304993 HHPIENICULYOPB-WOJBJXKFSA-N 403.592 3.031 0 40 HGAB CCS(=O)(=O)N1CCCC[C@@H]1c1nnc(C2CCN(Cc3ccccc3)CC2)o1 72344889 FEYAJFSJHUDSSL-LJQANCHMSA-N 418.563 3.326 0 40 HGAB CN(C)C(=O)[C@@]1(Cc2cccc(-c3ccncc3)c2)CN(C(=O)CC(C)(C)C)CCO1 72389074 SDBQJWPVFUHMKE-RUZDIDTESA-N 423.557 3.413 0 40 HGAB Cc1cc(C)nc(N2CCC(CNC(=O)CCCc3nc4ccccc4[nH]3)CC2)n1 72389589 HZRBAYNHQPIUHS-UHFFFAOYSA-N 406.534 3.325 0 40 HGAB O=C(Nc1cc(Cl)ccc1F)C(=O)N1CCC[C@H]1c1nnc2n1CCCCC2 79101355 ZXLLOECEQDEYTO-HNNXBMFYSA-N 405.861 3.099 0 40 HGAB Cc1cc(C(=O)NCCc2nnc3n2CCCC3)cc(C)c1OCc1cccnc1 97109001 JFOCCJXRZOSMLO-UHFFFAOYSA-N 405.502 3.178 0 40 HGAB Cc1oc2cc(OCC(=O)N[C@@H](C)C(=O)O)ccc2c(=O)c1-c1ccc(Cl)cc1 98037206 GFFITGAWFLFGDB-NSHDSACASA-N 415.829 3.390 0 40 HGAB Cc1ccc(N2C(=O)[C@H]3N=NN(CC(=O)Nc4ccc(C(C)C)cc4)[C@@H]3C2=O)cc1 100033075 AVYDVNCKZDPXGU-PMACEKPBSA-N 405.458 3.050 0 40 HGAB Cc1cc(C)cc(N2C(=O)/C(=C\NCCCN3CCOCC3)c3ccccc3C2=O)c1 101189269 ASHVDEHATPUUSH-QJOMJCCJSA-N 419.525 3.143 0 40 HGAB CC(=O)O[C@H]1C[C@H]2[C@@H]3CCC(=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](OC(C)=O)C[C@]12O 123422493 OPSNFNKUVFNPRH-AJOKDPHRSA-N 406.519 3.186 0 40 HGAB COC[C@]1(CN)[C@@H](S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1ccc(Br)cc1 218228977 FZKUGDLVSLHEID-FHWLQOOXSA-N 424.360 3.289 0 40 HGAB Cc1ccc(-c2noc(CN(C)C(=O)c3ccc(CN4CCCC4=O)cc3)n2)cc1 219234031 ZZUSFVNDRFTHSU-UHFFFAOYSA-N 404.470 3.440 0 40 HGAB CCOC(=O)c1ccccc1NC(=O)[C@H](CC)N(c1cccc(C)c1)S(C)(=O)=O 220496881 BALWMKWJDFRIEC-IBGZPJMESA-N 418.515 3.355 0 40 HGAB CCOC(=O)c1ccccc1NC(=O)c1ccc(N(CC)S(=O)(=O)CC)cc1 222390708 YOSJFFFTQNJDHW-UHFFFAOYSA-N 404.488 3.292 0 40 HGAB CCCSc1nnc(NC(=O)c2cccc(N3CCCCS3(=O)=O)c2)s1 223210820 HJKJLEDOQMKTOG-UHFFFAOYSA-N 412.562 3.223 0 40 HGAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)N[C@@H](C)c1cc(C)c(C)cc1C)O2 223467883 QDEWNUFDXRDVAV-UWJYYQICSA-N 416.543 3.325 0 40 HGAB CCOc1ccc(-c2noc(CNS(=O)(=O)Cc3ccc(Cl)cc3)n2)cc1 223629419 QFROIJLZZZMCBK-UHFFFAOYSA-N 407.879 3.408 0 40 HGAB O=S(=O)(Nc1nnc(SCc2ccccc2)s1)c1ccc2c(c1)OCCO2 223875050 AAJPSAJQHCOTQT-UHFFFAOYSA-N 421.525 3.402 0 40 HGAB CNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)COc1ccccc1C 225470334 PZOKOEZHDAADSV-OAHLLOKOSA-N 419.319 3.300 0 40 HGAB CC1(C)Cc2cccc(OCC(=O)NC[C@@](O)(c3ccco3)c3cccs3)c2O1 225587283 SBGYTGVHDTXIPR-JOCHJYFZSA-N 413.495 3.486 0 40 HGAB COc1ccc(C)cc1NS(=O)(=O)c1nnc(NC(=O)c2ccccc2C)s1 225596469 VZBSKPAQTGSNNF-UHFFFAOYSA-N 418.500 3.217 0 40 HGAB Cn1cc(C(=O)NC[C@@]2(c3ccccc3)CC[C@@H]3OC(C)(C)C[C@H](O)[C@H]3CC2)cn1 257217194 CXYPRFZXYRJXCY-XBJMDHIQSA-N 411.546 3.207 0 40 HGAB COc1ccc(C)cc1N([C@H](C)C(=O)N[C@H]1CCCc2ccccc21)S(C)(=O)=O 260588135 GPGAQUXHAGSDLM-APWZRJJASA-N 416.543 3.352 0 40 HGAB Cc1cc(S(=O)(=O)N2CCCc3ccccc32)ccc1OCC(=O)NCC(C)C 408617851 DQMGKJWPEGURER-UHFFFAOYSA-N 416.543 3.288 0 40 HGAB CCNC(=O)COc1ccc(S(=O)(=O)Nc2ccc(OCC)cc2)cc1Cl 408622276 NBBHRXNPCDWBBO-UHFFFAOYSA-N 412.895 3.054 0 40 HGAB Cc1ccc([C@@H]2[C@@H](NC(=O)c3ccc(F)cc3)C(=O)N/[N+]2=C\c2ccccc2)cc1 409053444 KCORKLIGJJGTQS-KSYIGNPDSA-O 402.449 3.150 0 40 HGAB Cc1cccc(NC(=O)CSc2nnc(CNC(=O)c3ccccc3C)n2C)c1 409059139 PSEICEPICWBESS-UHFFFAOYSA-N 409.515 3.093 0 40 HGAB COc1ccc2nc(C[C@H]3CN(C(=O)Cc4ccccc4)CC[C@H]3CC(=O)O)[nH]c2c1 514289311 PTIFMKXMQDXDDS-ROUUACIJSA-N 421.497 3.296 0 40 HGAB biogenic,in-vitro Cc1nn(C)cc1C(=O)N1CCCCN(C)C(=O)c2cc(Cl)ccc2OCCC1 643558221 MCJYVOUNBOKWHR-UHFFFAOYSA-N 418.925 3.159 0 40 HGAB O=C(c1cncc(Br)c1)N1CC(Oc2ccnc(C(F)(F)F)c2)C1 1776009189 XKNGMCMVHKQCSM-UHFFFAOYSA-N 402.170 3.161 0 40 HGAB CN(c1ncc(Cl)cn1)C1CCN(CC(=O)Nc2nc3ccccc3s2)CC1 1849373966 RAWDBPBBWCIZQS-UHFFFAOYSA-N 416.938 3.279 0 40 HGAB Cc1nc(CN2CCC[C@]3(CCCN(C(=O)c4c(C)nn(C)c4C)C3)C2)cs1 2056224549 UZKBQFIOSKMOQY-NRFANRHFSA-N 401.580 3.320 0 40 HGAB C[C@@H](CCC(=O)O)[C@@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3C[C@@H](O)[C@@]12C 2060993461 BHQCQFFYRZLCQQ-ANWNEJAASA-N 408.579 3.449 0 40 HGAB COc1cc(OC)cc(C(=O)NCC(=O)OCc2csc(-c3ccccc3)n2)c1 2657569 JRDSJSSLRHXNRF-UHFFFAOYSA-N 412.467 3.301 0 40 HGAB Cc1ccc(S(=O)(=O)CCC(=O)O[C@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)cc1 32636261 VGBOIYAFJLMOBL-JKSUJKDBSA-N 421.490 3.107 0 40 HGAB Cc1nc2c(c(C)nn2C)c(C)c1CCC(=O)NC[C@@H](c1cccc(F)c1)N(C)C 32730278 XMUADBYOVXQUTH-FQEVSTJZSA-N 411.525 3.384 0 40 HGAB CC(=O)N1CCc2cc(NC(=O)[C@@H]3CCCN(C(=O)Nc4ccccc4)C3)ccc21 32768294 ISQPHPRTKTYRCW-GOSISDBHSA-N 406.486 3.478 0 40 HGAB CC(C)NC(=O)Cn1c(SCC(=O)N2[C@H](C)CCC[C@H]2C)nc2ccccc21 4859279 CUWFIZRSYSYQIK-HZPDHXFCSA-N 402.564 3.443 0 40 HGAB COC(=O)c1ccc(C)c(S(=O)(=O)N(C)Cc2ccccc2N2CCCC2)c1 29973249 GSZVOGOBOATIQN-UHFFFAOYSA-N 402.516 3.203 0 40 HGAB COc1ccc(C(=O)Nc2cc3c(cc2N2CCCCC2)n(C)c(=O)n3C)cc1OC 6794905 OPYKQNXDBZKHPM-UHFFFAOYSA-N 424.501 3.137 0 40 HGAB O=C(CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O)Nc1nc2ccccc2s1 7269335 GGGDJIZXDNPOQW-OAQYLSRUSA-N 406.467 3.018 0 40 HGAB CCOC(=O)c1cccc(NC(=O)[C@@H](C)N(c2ccc(C)cc2)S(C)(=O)=O)c1C 10443141 DDVIBSOGKDDACN-MRXNPFEDSA-N 418.515 3.273 0 40 HGAB COc1ccc(N(CCCC(=O)N2CCC[C@@H](C)C2)S(C)(=O)=O)cc1Cl 10541691 CAULLZKQSZROBC-CQSZACIVSA-N 402.944 3.153 0 40 HGAB COc1ccc(CCNC(=O)c2cccc(I)c2)cc1OC 8115535 KJBGRAODTBNGPH-UHFFFAOYSA-N 411.239 3.281 0 40 HGAB Cc1cc(C(=O)O[C@@H](C)C(=O)Nc2ncnc3nc[nH]c23)c(C)n1Cc1ccccc1 22187833 BPMUEOSHEOSNFR-HNNXBMFYSA-N 418.457 3.004 0 40 HGAB Cc1ccc(/C=c2/s/c(=C\C(=O)c3ccco3)n(Cc3cccc(F)c3)c2=O)cc1 33575837 HGGGLNGGOCXQQW-HCRUVJSOSA-N 419.477 3.491 0 40 HGAB Cc1ccc(CN2C[C@H](C(=O)OCC(=O)Nc3ccccc3Cl)CC2=O)cc1 28609449 SMZRTXLXHMELAW-MRXNPFEDSA-N 400.862 3.179 0 40 HGAB Cc1ccc(NC(=O)CN2CCN([C@H](C)C(=O)Nc3cccc(Cl)c3)CC2)cc1 22799042 ZORJKPVXPCMGMZ-QGZVFWFLSA-N 414.937 3.232 0 40 HGAB CC(C)OC(=O)c1ccc(N2C[C@H](C(=O)OCC(=O)c3ccccc3)CC2=O)cc1 993289 WOQOLHYQKDSAOC-GOSISDBHSA-N 409.438 3.031 0 40 HGAB CCOC(=O)c1ccc(N2C[C@H](C(=O)O[C@@H](C)C(=O)c3ccc(C)cc3)CC2=O)cc1 993309 ZPUBVDYUEXJPKE-QFBILLFUSA-N 423.465 3.339 0 40 HGAB O=C1C[C@H](C(=O)Nc2ccc(Cl)c(Cl)c2)n2nc(-c3cccnc3)nc2N1 9926470 ZNXUYMMSGVZCHJ-CYBMUJFWSA-N 403.229 3.169 0 40 HGAB O=S(=O)(c1cccc(OC(F)(F)F)c1)N1CCN(Cc2ccccc2)CC1 24227122 SJHBUMUZCRMERS-UHFFFAOYSA-N 400.422 3.092 0 40 HGAB COC(=O)c1cccc(S(=O)(=O)N(Cc2nnc(-c3ccccc3)o2)C(C)C)c1 24361562 HKSSJZMWKMWZTI-UHFFFAOYSA-N 415.471 3.123 0 40 HGAB CC1CCN(Cc2csc(NC(=O)CCNC(=O)NC3CCCCC3)n2)CC1 24505677 MXMYKQHDIQLZPQ-UHFFFAOYSA-N 407.584 3.336 0 40 HGAB CSc1ncccc1C(=O)N1[C@@H]2CC[C@@H]1CC(S(=O)(=O)c1ccccc1)C2 101323095 GNZUBJCAGNPJEX-HUUCEWRRSA-N 402.541 3.413 0 40 HGAB CN(C)CCNC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 25285919 CFMJUIGUPGIMIX-UHFFFAOYSA-N 416.330 3.086 0 40 HGAB Cc1ccc(OCCN2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)cc1 35267875 HYLOFRTVJWARIL-UHFFFAOYSA-N 400.953 3.095 0 40 HGAB Cc1c(C(=O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)c2ccccc2n1C 19708102 QLCSUQQNMMENFY-UHFFFAOYSA-N 405.498 3.216 0 40 HGAB Cc1cc(C)cc(C(=O)NCC(=O)NCC2(c3ccc4c(c3)OCCO4)CCCC2)c1 10772335 SDMWSIIYLXUFND-UHFFFAOYSA-N 422.525 3.433 0 40 HGAB O=C(c1cc(Br)ccc1O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 48324353 KJRNYIJMOWFCNX-UHFFFAOYSA-N 416.275 3.275 0 40 HGAB O=C(COC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1)NC1CCCCC1 3482518 CKRKNNXLWMGYHT-UHFFFAOYSA-N 406.438 3.093 0 40 HGAB C[C@]1(c2ccc(OC(F)F)cc2)NC(=O)N(CC(=O)NCCC2=CCCCC2)C1=O 3464466 ZKZCYUFJUOSJMC-OAQYLSRUSA-N 421.444 3.062 0 40 HGAB CCCN(Cn1nc(Nc2ccc(F)cc2)sc1=S)[C@H]1CCS(=O)(=O)C1 12924435 IFVQRJDYVZFCKB-AWEZNQCLSA-N 416.569 3.413 0 40 HGAB COc1ccc(N2C[C@@H](C(=O)Nc3nc4ccc(F)cc4s3)CC2=O)c(OC)c1 12909586 AURMEYVPCZQMNV-NSHDSACASA-N 415.446 3.444 0 40 HGAB CCOc1ccc([C@H](C)NC(=O)[C@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)cc1 20108822 DNRYZVSUZCLWFA-GJZGRUSLSA-N 408.495 3.256 0 40 HGAB CC(C)[C@@H](NC(=O)CSc1nnc2ccccn12)c1ccc2c(c1)OCCCO2 8528582 OKDYWEFECPTOFY-HXUWFJFHSA-N 412.515 3.496 0 40 HGAB C[C@@H]1CN(S(=O)(=O)c2cc(C(=O)N3CCCC[C@H]3C)ccc2Cl)C[C@@H](C)O1 6087895 RSJVNOKDKJPXAP-RBSFLKMASA-N 414.955 3.153 0 40 HGAB C[C@H](NC(=O)C1CCN(C(=O)Nc2ccccc2)CC1)c1ccc(-n2cncn2)cc1 9336868 OVZJCKDUHOMKQW-KRWDZBQOSA-N 418.501 3.389 0 40 HGAB CCOC(=O)c1cc(NS(=O)(=O)c2c(F)cccc2F)cc(C(=O)OCC)c1 6623223 NTUVTZUDDKNHHD-UHFFFAOYSA-N 413.398 3.119 0 40 HGAB COc1ccc(N2C[C@H](C(=O)Nc3ccccc3C(=O)NC(C)(C)C)CC2=O)cc1 4731961 BAKKKYALCPHBFR-OAHLLOKOSA-N 409.486 3.215 0 40 HGAB Cn1c(COc2ccc3c(c2)OCO3)nnc1SCC(=O)c1ccc(F)cc1 4942545 YTHIUVFNPOTPNR-UHFFFAOYSA-N 401.419 3.237 0 40 HGAB COc1ccc([C@]2(C)NC(=O)N(Cc3cc(Cl)c4c(c3)OCCCO4)C2=O)cc1 7081237 JELIVYIWRUELKL-NRFANRHFSA-N 416.861 3.477 0 40 HGAB COc1cccc(NC(=O)[C@H](C)OC(=O)[C@H](C)NC(=O)c2ccc(Cl)cc2)c1 24757516 CUASNOMHNUHEMD-STQMWFEESA-N 404.850 3.037 0 40 HGAB CC(=O)c1cccc(NCC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1 7957460 HSPCWAYIGAHWDQ-UHFFFAOYSA-N 415.515 3.114 0 40 HGAB Cc1ccc(C2=NN(C(=O)CSc3nnnn3C3CC3)[C@@H](c3ccco3)C2)cc1 8075952 LRJCYEQBDXTDKU-QGZVFWFLSA-N 408.487 3.379 0 40 HGAB Cc1noc(C)c1COc1cccc(C(=O)N(C)Cc2nc3ccccc3c(=O)[nH]2)c1 8134808 KOBAEEVMQRPDJI-UHFFFAOYSA-N 418.453 3.379 0 40 HGAB CCCNC(=O)CSc1nnc(SCC(=O)N2CCCC[C@H]2CC)s1 8130099 DUQUQTODCKDZFT-GFCCVEGCSA-N 402.611 3.040 0 40 HGAB O=C1c2oc3ccccc3c(=O)c2[C@@H](c2ccc(Br)cc2)N1CCCO 16752285 BNXBHQUPZYCHCJ-QGZVFWFLSA-N 414.255 3.483 0 40 HGAB O=C(CCC(=O)N1CCC(c2ccccc2)=N1)Nc1ccc(N2CCCC2=O)cc1 8231362 CYMOFXLLYIEFRJ-UHFFFAOYSA-N 404.470 3.169 0 40 HGAB COc1ccc(S(=O)(=O)N(C)C)cc1Nc1ncnc2sc3c(c12)CCC3 8231608 GMJGQBOEBIJNFB-UHFFFAOYSA-N 404.517 3.183 0 40 HGAB C[C@@]1(c2ccco2)NC(=O)N(CC(=O)Nc2ccc(N3CCCCCC3)cc2)C1=O 9549984 UPVJYAFCBVMRHM-QFIPXVFZSA-N 410.474 3.066 0 40 HGAB Cc1cccc(NC(=O)[C@H]2CSCN2C(=O)c2ccc(N3CCCC3)nc2)c1C 84218680 ZHBAGOAIDITFIX-LJQANCHMSA-N 410.543 3.452 0 40 HGAB Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)NCc3ccccc3)Oc3ccccc32)cc1 9699484 KSFZXIKAUYZHKG-JOCHJYFZSA-N 422.506 3.268 0 40 HGAB Cc1oc(-c2cccs2)nc1C(=O)N1C[C@@H]2OCCN(Cc3ccccc3)[C@H]2C1 84052883 IXKFTJXLSYBEFJ-ROUUACIJSA-N 409.511 3.437 0 40 HGAB COc1ccc(-c2csc(NC(=O)[C@@H](CC(=O)O)NCc3ccccc3)n2)cc1 72334057 DMCVVQPDWRQPLJ-QGZVFWFLSA-N 411.483 3.390 0 40 HGAB C[C@@H](OC(=O)[C@@H]1SCCc2ccccc21)C(=O)c1ccc(NS(C)(=O)=O)cc1 78951657 VKMLINHDBJABKC-BFUOFWGJSA-N 419.524 3.203 0 40 HGAB O=S1(=O)c2ccc(-c3cccnc3)cc2[C@@H]2CN(Cc3ccc4c(c3)OCO4)C[C@@H]21 306136226 PNNBQELDCGKANH-CVDCTZTESA-N 420.490 3.233 0 40 HGAB Cc1csc2nc(CSc3nnc([C@H]4COc5ccccc5O4)o3)cc(=O)n12 9958061 IKRTVVVCOJVZSJ-CQSZACIVSA-N 414.468 3.252 0 40 HGAB COc1cc(NC(=O)c2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)cc(OC)c1 89929834 YZYLNCCZVCOIHH-OAHLLOKOSA-N 418.515 3.377 0 40 HGAB CC[C@H](Oc1ccccc1C)C(=O)Nc1cc(S(=O)(=O)NC(C)C)ccc1OC 20487392 ZTDXRVDJBFMCML-SFHVURJKSA-N 420.531 3.486 0 40 HGAB COc1ccccc1N1CCN(C(=O)c2ccn(COc3ccc(F)cc3)n2)CC1 27972390 PHHCPGGZOXGCSE-UHFFFAOYSA-N 410.449 3.030 0 40 HGAB Cc1cccc(C(=O)N2CCC3(CC2)CN(C)Cc2nnc(-c4cccs4)n23)c1 306123459 ANSQOKBRVIQRMK-UHFFFAOYSA-N 407.543 3.392 0 40 HGAB C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]21C 31541526 NKRVAQNWPRPQDK-SZHOAPCDSA-N 406.563 3.369 0 40 HGAB CCOC(=O)c1cccc(NC(=O)[C@H](CC)N(c2ccc(F)cc2)S(C)(=O)=O)c1 219113433 YTKWNSUDJGLPEX-SFHVURJKSA-N 422.478 3.186 0 40 HGAB Cn1cc(CN2CCO[C@H](c3c(C(N)=O)sc4ncccc34)C2)c2ccccc21 72370231 GABOCQHRXUPJLV-SFHVURJKSA-N 406.511 3.460 0 40 HGAB Cn1cnc(S(=O)(=O)N2CCC[C@@H]2c2cccc(Cc3ccc(F)cc3)n2)c1 72358246 WXIMKIFBBQZUFX-LJQANCHMSA-N 400.479 3.071 0 40 HGAB C[C@]12CC[C@H](O)C[C@@H]1CC[C@H]1[C@H]2[C@@H](O)C[C@]2(C)[C@@H](c3ccc(=O)oc3)CC[C@]12O 256415614 FMTLOAVOGWSPEF-XKPFVIKISA-N 402.531 3.213 0 40 HGAB CCOC(=O)N1CCN(C(=O)c2ccc(OC)c(COc3ccccc3C)c2)CC1 224103040 GFONQYDSVBEZLU-UHFFFAOYSA-N 412.486 3.497 0 40 HGAB O=C(NCCOc1ccccc1Cl)c1cccc(N2CCCCS2(=O)=O)c1 224394416 IJBXGGOXZABRGP-UHFFFAOYSA-N 408.907 3.079 0 40 HGAB COc1ccc(N([C@@H](C)C(=O)Nc2cc(C)ccc2C)S(C)(=O)=O)cc1OC 220224898 MRGVZNKVTGAIGB-HNNXBMFYSA-N 406.504 3.114 0 40 HGAB CCOc1ccc(N([C@H](CC)C(=O)N2CCc3ccccc3C2)S(C)(=O)=O)cc1 220666550 TUIWBOHISXHVQM-OAQYLSRUSA-N 416.543 3.215 0 40 HGAB O=C(NC[C@H](c1ccco1)N1CCCC1)[C@@H]1CCCN(C(=O)c2cccs2)C1 40058974 SUYKHUJUJDSJHG-IAGOWNOFSA-N 401.532 3.147 0 40 HGAB CCc1ccc(N([C@H](C)C(=O)Nc2cc(C(=O)OC)ccc2C)S(C)(=O)=O)cc1 220271880 NYJCNCCTKXQGRM-OAHLLOKOSA-N 418.515 3.137 0 40 HGAB COC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(SC)c(NC(C)=O)c2)c1 224679454 YMHZKPNHLSLDTR-UHFFFAOYSA-N 408.501 3.263 0 40 HGAB CC[C@@H](NS(=O)(=O)c1ccc(OC)c(NC(C)=O)c1)c1ccc(OC)c(C)c1 224040515 QKGXJYYGFWSKQF-QGZVFWFLSA-N 406.504 3.400 0 40 HGAB COC(=O)c1ccccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)o1 223601765 YJSFTZZQFQEHOX-UXHICEINSA-N 423.494 3.093 0 40 HGAB COCCCNC(=S)Nc1nc(N2CCCCC2)cc(N2C[C@H](C)C[C@@H](C)C2)n1 225900587 RDNRLTDJGQDTHO-IAGOWNOFSA-N 420.627 3.272 0 40 HGAB O=C(Nc1ccccc1)[C@H]1CN(C(=O)c2cc(F)cc(F)c2)CC12CCOCC2 96078699 VDYNLFIWVBJTTF-LJQANCHMSA-N 400.425 3.472 0 40 HGAB CCCCN(C)C(=O)c1ncn2c(C3CCN(Cc4cccnc4)CC3)ccnc12 96155705 FOLLGBAKVOWZEQ-UHFFFAOYSA-N 406.534 3.376 0 40 HGAB COc1ccccc1[C@@H](C)NC(=O)[C@H](C)N(c1ccc(C)c(C)c1)S(C)(=O)=O 260805365 BQKUZNLJIQGADU-SJORKVTESA-N 404.532 3.344 0 40 HGAB COc1ccc(CNC(=S)Nc2nc(OC)cc(N3CCC[C@H](C)C3)n2)cc1 260715031 LNDXEJLXQKHYEM-AWEZNQCLSA-N 401.536 3.217 0 40 HGAB COc1ccc(-c2ccnc3nc([C@@H]4COc5ccccc5O4)nn23)c(OC)c1OC 604419741 YIMMOZJCSAYAPW-SFHVURJKSA-N 420.425 3.330 0 40 HGAB COc1ccc(OC)c(CN2CCC[C@H](c3cc(=O)[nH]c(-c4ccncc4)n3)C2)c1 72392926 TZJVTRKUYMRSGS-KRWDZBQOSA-N 406.486 3.229 0 40 HGAB O=C(COC(=O)c1cc(Cl)ccc1F)Nc1ccc(S(=O)(=O)C(F)F)cc1 11391396 FPUNJIOYGQMHLP-UHFFFAOYSA-N 421.780 3.271 0 40 HGAB CC[C@H](C)[C@H](NC(=O)c1cc2cc(Cl)ccc2n1C)C(=O)N1CCC[C@H]1C(=O)O 12664364 CJTXEFHQAZFYBT-IWEFOYFVSA-N 419.909 3.052 0 40 HGAB biogenic COc1cccc([C@H]2C[C@H](C(F)(F)F)n3nc(C(=O)NC[C@@H]4CCCO4)cc3N2)c1 12845743 ZIMWSXYTLSLRRR-ZMSDIMECSA-N 424.423 3.461 0 40 HGAB CCN(CC)S(=O)(=O)c1cc(C(=O)NCc2ccc(Cl)cc2)ccc1OC 15340377 SLKOZYZTDULDFL-UHFFFAOYSA-N 410.923 3.309 0 40 HGAB Cc1cc(C)cc(C2(CNC(=O)Cc3c(C)c4c(C)n[nH]c4oc3=O)CCOCC2)c1 19569549 NWRRBPCNBYSKIJ-UHFFFAOYSA-N 423.513 3.157 0 40 HGAB Cc1nn([C@@H](C)C(=O)NCCc2c(C)n(C)c3ccccc23)c(=O)c2ccccc12 19658335 MAJIGDUZNRXUNR-KRWDZBQOSA-N 402.498 3.425 0 40 HGAB CC(C)c1ccc([C@H](C)NC(=O)c2ccc(=O)n(CC(=O)N3CCCCC3)c2)cc1 19750866 FYIHLDKRLGBTOX-SFHVURJKSA-N 409.530 3.475 0 40 HGAB O=C(N[C@@H]1C[C@H]2CC[C@@H]1C2)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1 19868349 MBHKQEIKCNJZJO-KVSKMBFKSA-N 410.967 3.187 0 40 HGAB CC[C@H](NC(=O)CN1CCN(c2nccs2)CC1)c1ccc(Br)cc1 36413009 RREIZYFUMDDTLW-INIZCTEOSA-N 423.380 3.295 0 40 HGAB O=C(NN1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O)c1ccccc1F 840303 CCHBPDYHEKCDOC-UJKMTWAASA-N 412.420 3.363 0 40 HGAB CCOc1ccc(C(=O)N(c2ccccc2)[C@@H]2C=CS(=O)(=O)C2)cc1OCC 4165388 GBFPXWLCGOKKCA-GOSISDBHSA-N 401.484 3.442 0 40 HGAB O=C(NCCCN1CCN(c2ccccc2)CC1)C1(c2ccccc2)CCOCC1 11853376 INNFNICDTYNRJE-UHFFFAOYSA-N 407.558 3.063 0 40 HGAB CCc1nc2sc([C@H](c3ccc(C)cc3)N3CCC(C(=O)OC)CC3)c(O)n2n1 22853638 WLCZUHHYLKPPGS-KRWDZBQOSA-N 414.531 3.342 0 40 HGAB CC1=NC2=NC(N3CCN(c4ccccc4)CC3)=N[C@H](c3ccccc3)N2C(O)=C1 20028270 DBFTZCDJCPNXEZ-NRFANRHFSA-N 400.486 3.409 0 40 HGAB C[C@]1(c2cccc(NC(=O)c3ccc(COc4ccccc4)o3)c2)NC(=O)NC1=O 40110830 RIWCVPIDUNTMIU-JOCHJYFZSA-N 405.410 3.166 0 40 HGAB COc1ccc(NC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)cc1 101465335 CUNZZMHAVBCWQM-NXQKYAITSA-N 418.493 3.276 0 40 HGAB Cc1ccc(Cl)cc1NC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1 798716 PAQZMBOXMSQQKI-UHFFFAOYSA-N 408.907 3.450 0 40 HGAB CCOC(=O)c1c(C)n(C)c2ccc(OC(C)=O)c(S(=O)(=O)c3ccccc3)c12 862727 GXYZPVNAIUJVGF-UHFFFAOYSA-N 415.467 3.422 0 40 HGAB biogenic COc1cc(C(=S)N2CCOCC2)cc(OC)c1OC(=O)c1cccc(C)c1 866278 AJVRCXFRBRGMSN-UHFFFAOYSA-N 401.484 3.239 0 40 HGAB COc1ccccc1-n1c(N)c(C(=O)NC[C@H]2CCCO2)c2nc3ccccc3nc21 2230509 IFJPEFFSNHKHJF-CQSZACIVSA-N 417.469 3.073 0 40 HGAB CCCOC(=O)c1ccc(NC(=O)c2ccc3c(c2)C(=O)N(CCCOC)C3=O)cc1 2255304 QXEFZTKVBISRGH-UHFFFAOYSA-N 424.453 3.138 0 40 HGAB COc1ccc(CCNC(=O)CSCC(=O)N[C@H]2CCCc3ccccc32)cc1 2635688 ATRSQVCZPLOBBZ-NRFANRHFSA-N 412.555 3.281 0 40 HGAB COC(=O)c1sc2ncn3nc([C@H](C)n4cc(Br)cn4)nc3c2c1C 2803924 UCOGOVDTJQJUOM-QMMMGPOBSA-N 421.280 3.002 0 40 HGAB O=C(COC(=O)c1ccccc1NS(=O)(=O)c1cccs1)NC1CCCCC1 3270008 JWUYEOWKOMTYAL-UHFFFAOYSA-N 422.528 3.155 0 40 HGAB C[C@@H](OC(=O)CNC(=O)c1cccc(F)c1)C(=O)Nc1cc(Cl)cc(Cl)c1 3317452 CZTZFBKOBGEOFA-SNVBAGLBSA-N 413.232 3.433 0 40 HGAB O=C(CSc1nncn1-c1ccccc1)CSc1nncn1-c1ccccc1 3346214 PICMGTMDQLPYMP-UHFFFAOYSA-N 408.512 3.302 0 40 HGAB CCCCCCn1c(S[C@H](C)C(=O)NC(=O)NCC)nc2ccccc2c1=O 3521661 BOIVJKQVSVOGTI-CQSZACIVSA-N 404.536 3.303 0 40 HGAB COc1cc(NC(=O)c2ccc3c(=O)n4c(nc3c2)CCCCC4)cc(OC)c1OC 3645863 QYQYXLWFRIPKSI-UHFFFAOYSA-N 423.469 3.401 0 40 HGAB biogenic O=C(NC12CC3CC(CC(C3)C1)C2)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 4217851 NXMCSMDMUCWUKU-RQJZOYDLSA-N 402.560 3.172 0 40 HGAB COc1c(I)cc(C(C)=O)cc1I 4258588 ZRBKJOVGIPJQOS-UHFFFAOYSA-N 401.969 3.107 0 40 HGAB O=C(CSc1ccc2nnc(-c3ccccn3)n2n1)NCc1ccccc1Cl 4327112 JEBDDUSWMLIXIC-UHFFFAOYSA-N 410.890 3.248 0 40 HGAB COc1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@@H]2c2ccccc2OC)c(OC)c1 4383863 JSXYEGJBGOMPHV-HXUWFJFHSA-N 421.457 3.232 0 40 HGAB CCn1c(COc2ccccc2OC)nnc1S[C@@H](C)C(=O)Nc1nccs1 4814643 PBKXNEQUHRACSL-LBPRGKRZSA-N 419.532 3.461 0 40 HGAB O=C(c1ccc(F)cc1)[C@@H]1[C@@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@H]2[C@@H]2CCCN21 5307843 TVDYMEYMPBZKCE-OKYOBFRVSA-N 412.848 3.314 0 40 HGAB O=S(=O)(c1ccc(SCc2nnc(-c3ccccc3)o2)nc1)N1CCCC1 5704097 QXBJYLHNNUUTLH-UHFFFAOYSA-N 402.501 3.208 0 40 HGAB CCn1cc(C(=O)OCC(=O)Nc2cccc(Cl)c2C)c(=O)c2ccc(C)nc21 6635265 YFUFTBZWWNXYKF-UHFFFAOYSA-N 413.861 3.482 0 40 HGAB CCc1cc(=O)oc2c(C)c(OCC(=O)NC3CC(C)(C)NC(C)(C)C3)ccc12 6659889 SMNCKQWBMXWZLQ-UHFFFAOYSA-N 400.519 3.468 0 40 HGAB CC(C)N(C)S(=O)(=O)c1cccc(C(=O)OCc2cc(-c3ccco3)on2)c1 7022076 FQZUWFWLCYJACG-UHFFFAOYSA-N 404.444 3.321 0 40 HGAB CCS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1ccc2nc(C)sc2c1 7238855 FFSKIISFMDOAHI-GOSISDBHSA-N 415.540 3.320 0 40 HGAB CCc1c(C)nc(-n2nc(C)cc2NC(=O)COc2ccc(C(C)C)cc2)[nH]c1=O 7422124 RIKCINUVSVEIGA-UHFFFAOYSA-N 409.490 3.276 0 40 HGAB CCCN(Cc1nnc(-c2ccco2)o1)C(=O)[C@H]1CCCN1C(=O)c1cccs1 7979627 HCCJSANGZPOPAZ-CQSZACIVSA-N 414.487 3.435 0 40 HGAB O=C(CCCc1nc2ccccc2c(=O)[nH]1)NC[C@H](c1cccs1)N1CCCC1 7986420 QRFFATURWFKMEQ-GOSISDBHSA-N 410.543 3.261 0 40 HGAB CC(C)[C@H](NC(=O)Cn1nnc(-c2ccsc2)n1)c1ccc2c(c1)OCCCO2 8000632 VFZACHIWYZPDSM-IBGZPJMESA-N 413.503 3.076 0 40 HGAB O=C(c1ccc(OCc2cn3ccccc3n2)cc1)N1CCN(c2ccccn2)CC1 8131992 LSKBUPRKUDAYMC-UHFFFAOYSA-N 413.481 3.271 0 40 HGAB Cc1ccc(-c2csc(NC(=O)CSc3nnnn3C[C@H]3CCCO3)n2)cc1 8329071 DDTVJZWDTTYCID-CQSZACIVSA-N 416.532 3.015 0 40 HGAB CC[C@H](C)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1cccc(Br)c1 8397345 HIRXESUBTAROCZ-JTQLQIEISA-N 423.336 3.125 0 40 HGAB COc1ccc(OC)c(NC(=O)COC(=O)CCC(=O)Nc2cc(C)ccc2C)c1 8414978 IGDIYKWGMGITPD-UHFFFAOYSA-N 414.458 3.221 0 40 HGAB CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)[C@H](C)C(=O)Nc1ccc(C)c(F)c1 8494452 STKVWVAJRGWTGK-OAHLLOKOSA-N 414.481 3.380 0 40 HGAB COc1ccccc1-c1cc([C@H]2CN3CC[C@H]2C[C@@H]3COC(=O)NC(C)C)n(C)n1 8635306 NCZOBEPFFYGXSK-SCTDSRPQSA-N 412.534 3.408 0 40 HGAB biogenic,in-vitro O=C(c1cn(-c2ccccc2)nc1-c1cccs1)N1CCN(C(=O)C2CC2)CC1 8745433 LJWVZRIWNVDIDW-UHFFFAOYSA-N 406.511 3.295 0 40 HGAB O=C(Nc1cccc(S(=O)(=O)NCc2ccco2)c1)c1cncn1-c1ccccc1 9338188 AXCUUGHRPRIRGM-UHFFFAOYSA-N 422.466 3.196 0 40 HGAB Cc1cccc(NC(=O)CNC(=O)COC(=O)/C=C/c2ccc3ccccc3n2)c1C 9493509 YUXXSSGJWXNXRQ-OUKQBFOZSA-N 417.465 3.163 0 40 HGAB C[C@H](Oc1ccc2c(c1)[nH]c1ccccc12)C(=O)Nc1ccc(S(N)(=O)=O)cc1 9545030 QNGDONSWVJEIJA-ZDUSSCGKSA-N 409.467 3.375 0 40 HGAB CCc1ccc(NC(=O)CSc2nccn(-c3ccc4c(c3)OCCO4)c2=O)cc1 9761348 QHYMXENZUKXBPW-UHFFFAOYSA-N 423.494 3.297 0 40 HGAB COc1ccc(CCNC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)cc1 10314728 YILYTXGGTBGZAR-UHFFFAOYSA-N 410.495 3.469 0 40 HGAB CCOC(=O)c1ccc(NC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)c(C)c1 10446778 YERCFZJEBBBORD-UHFFFAOYSA-N 424.906 3.230 0 40 HGAB COc1cc2ncn(CCCC(=O)N[C@H](C)c3cccs3)c(=O)c2cc1OC 10708389 HLYSEQYSYZMBMS-CYBMUJFWSA-N 401.488 3.133 0 40 HGAB Cc1cccc(C)c1NC1=NN=C(c2ccc(CCNS(C)(=O)=O)s2)CS1 11115386 AXXYGVDHPOAXSN-UHFFFAOYSA-N 422.601 3.376 0 40 HGAB COc1ccc(NC(=O)CSc2ccc(NC(=O)c3ccco3)nn2)cc1OC 11739146 FNEWNJDZSCSCFZ-UHFFFAOYSA-N 414.443 3.070 0 40 HGAB C[C@H]1CCCC[C@@H]1NC(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 11776908 NLAIUKQSPTZQFY-JSGCOSHPSA-N 410.444 3.054 0 40 HGAB CCCSc1nnc(NC(=O)c2nn(-c3ccc(CC)cc3)ccc2=O)s1 11914141 VGKWKTFOMBCSQH-UHFFFAOYSA-N 401.517 3.401 0 40 HGAB COc1cccc(COc2coc(C(=O)Nc3ccc(OC)c(OC)c3)cc2=O)c1 11963291 NWMSWICYCNNNSR-UHFFFAOYSA-N 411.410 3.497 0 40 HGAB O=C(NCCc1ccc(F)cc1)c1cc(N2CCCCS2(=O)=O)ccc1Cl 12195451 BYASENDDXBBQCX-UHFFFAOYSA-N 410.898 3.382 0 40 HGAB Cc1nn(-c2ccccc2)c2nc3c(cc12)CN(CCCN1CCCC1=O)C(=O)O3 12251543 XILJACDDSXBSCA-UHFFFAOYSA-N 405.458 3.056 0 40 HGAB O=C(c1ccc(Cl)c(Cl)c1)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 12617365 GCQPYOJWCMHUAQ-UHFFFAOYSA-N 423.325 3.021 0 40 HGAB CC[C@H](C(=O)NCc1ccccc1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 12790052 YVXTZNUNAKIPLH-GOSISDBHSA-N 406.452 3.317 0 40 HGAB CSCC[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)N1C(=O)[C@H]2CCCC[C@H]2C1=O 12892421 XOFZJQUELVWZKR-LLSAEVRJSA-N 418.603 3.368 0 40 HGAB Cc1ccc(C)c(S(=O)(=O)N2CCN(Cn3cnc4cc(C)c(C)cc43)CC2)c1 13058900 ZNOARHNORSPCAM-UHFFFAOYSA-N 412.559 3.234 0 40 HGAB CC[C@H](C(=O)Nc1ccc(NC(C)=O)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O 13712528 DIDPXAUEICZROR-GOSISDBHSA-N 423.922 3.482 0 40 HGAB CCCCOc1ccc(C(=O)NCC(=O)N[C@H](C)c2ccc(-n3cncn3)cc2)cc1 14198722 JOBRDGNFHXMXDC-QGZVFWFLSA-N 421.501 3.053 0 40 HGAB CCc1cccc(CC)c1NC(=O)CN(C)S(=O)(=O)c1cc(OC)ccc1OC 16162270 XVOLBIKSKKMJCQ-UHFFFAOYSA-N 420.531 3.088 0 40 HGAB Cc1nc(S[C@@H](C)C(=O)N2CC(=O)Nc3ccccc32)n(C[C@H]2CCCO2)c1C 18596259 UFHDMEZMTLRLGZ-JKSUJKDBSA-N 414.531 3.145 0 40 HGAB CN1CCC(N(C[C@@H]2CCCO2)C(=O)c2n[nH]c3c2C[C@H](C(C)(C)C)CC3)CC1 19082372 FSYYZQNTUZPECY-AEFFLSMTSA-N 402.583 3.276 0 40 HGAB CN(C)c1ccc(C(=O)N[C@@H](Cc2cc(=O)[nH]c(C3CC3)n2)c2ccccc2)cc1 19584807 NDPIXBSALSMEGO-NRFANRHFSA-N 402.498 3.427 0 40 HGAB CCc1nc2nc(-c3ccc(NC(=O)c4c(C)cc(C)[nH]c4=O)cc3)cn2nc1CC 19657304 UNVRJOZMSJYJLG-UHFFFAOYSA-N 416.485 3.474 0 40 HGAB COc1ccc(C[C@@H]2C[C@@H]3NC(=O)CCCC[C@H]3N2C(=O)c2scnc2C)cc1 19711648 UIRVKWJITWJMIG-NZSAHSFTSA-N 413.543 3.345 0 40 HGAB COc1ccc(OC)c(CC(=O)Nc2ccc([C@@H]3C[C@H](NC(C)=O)CCO3)cc2)c1 19711892 QRCBUUPSOLQMQS-KNQAVFIVSA-N 412.486 3.241 0 40 HGAB CCN1CCN(C(=O)COc2ccc3c(=O)c(-c4ccccc4)c(C)oc3c2)CC1 20646849 AJOZLRYQMCIEAG-UHFFFAOYSA-N 406.482 3.311 0 40 HGAB biogenic CCOC(=O)[C@@H]1CCCN(C(=O)CSc2nnc(-c3cccc(Cl)c3)o2)C1 21547778 MTIKGPHHIQFGEH-CYBMUJFWSA-N 409.895 3.284 0 40 HGAB Cc1ccc(C(=O)[C@@H]([C@H](c2cccs2)N2CCOCC2)N2CCOCC2)cc1 21670200 BNKNETILKVSMCR-LEWJYISDSA-N 400.544 3.014 0 40 HGAB CCOc1ccc(N(CC(=O)N[C@H](C)c2ccc(C)cc2C)S(C)(=O)=O)cc1 22333420 LXWBIDPUZUQHST-QGZVFWFLSA-N 404.532 3.346 0 40 HGAB CCc1ccc(N(CC(=O)NCc2cccc(OC(C)C)c2)S(C)(=O)=O)cc1 22361623 FHRPQBAFVNRQEY-UHFFFAOYSA-N 404.532 3.119 0 40 HGAB NC(=O)c1ccc(NC(=O)C2CCN(c3ccc(-c4ccccc4)nn3)CC2)cc1 23143062 HMWNFOCZFXZEOH-UHFFFAOYSA-N 401.470 3.098 0 40 HGAB CCOC(=O)C1CCN([C@H](c2ccc(F)cc2)c2sc3nc(C)nn3c2O)CC1 23157469 PHNHPXURGLYWDY-MRXNPFEDSA-N 418.494 3.308 0 40 HGAB Cc1c(C(=O)NCc2ccccc2CN2CCOCC2)[nH]c2c1C(=O)CC(C)(C)C2 23805107 RFZFSMLPBDETSA-UHFFFAOYSA-N 409.530 3.240 0 40 HGAB O=C(c1ccco1)N1CCN(C[C@@H](O)COC(c2ccccc2)c2ccccc2)CC1 25329350 WJCVNKWTLBYTQI-JOCHJYFZSA-N 420.509 3.205 0 40 HGAB COc1ccc(CN(C)CN2C(=O)NC3(CCC(C)CC3)C2=O)cc1OC(F)F 25482218 LGKLEGUQSVOXJW-UHFFFAOYSA-N 411.449 3.187 0 40 HGAB CC(=O)N1c2ccc(S(=O)(=O)Nc3ccc4c(c3)OC(F)(F)O4)cc2C[C@@H]1C 28680679 MJGHHFSLGBYVRB-JTQLQIEISA-N 410.398 3.106 0 40 HGAB Cc1ccc(NC(=O)NC(=O)[C@H](C)N(C)Cc2ccccc2N2CCOCC2)c(C)c1 29404073 OVCRMZKVVIWYRB-IBGZPJMESA-N 424.545 3.309 0 40 HGAB CNS(=O)(=O)c1ccc(NC(=O)c2ccc(COc3ccc(F)cc3)o2)cc1 29510606 MILPWJHZIVJPKJ-UHFFFAOYSA-N 404.419 3.158 0 40 HGAB Cc1cnc2c(S(=O)(=O)Nc3ccc(NC(=O)[C@@H]4CCCO4)cc3)cccc2c1 30531488 UXVBWKPZYLIMFM-SFHVURJKSA-N 411.483 3.462 0 40 HGAB NC(=O)CCN(c1ccccc1)S(=O)(=O)c1ccc(Br)cc1Cl 31669072 YRVYDONGDWNTRN-UHFFFAOYSA-N 417.712 3.173 0 40 HGAB CCOc1cc2c(cc1NC(=O)CCn1cnc3c(C)cccc3c1=O)O[C@@H](C)C2 32494975 WDFAVQSCLUUSDZ-HNNXBMFYSA-N 407.470 3.456 0 40 HGAB CC(C)N(CC(F)(F)F)C(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O 32931668 PGWGXAWBPYWSGQ-UHFFFAOYSA-N 411.401 3.477 0 40 HGAB CCC(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1c1cc2cc(OC)ccc2[nH]c1=O 35313415 JZSQYDGDTHJJEX-QHCPKHFHSA-N 422.481 3.438 0 40 HGAB COc1cc(C(=O)Nc2cc3c(cc2C(=O)C2CC2)OCCO3)cc(OC)c1OC 35655352 ZHVNEABZHDRYSG-UHFFFAOYSA-N 413.426 3.329 0 40 HGAB C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCN(C(=O)c5ccco5)CC4)[C@@H]3C=C12 36507695 MQSZZIBOTGMDJA-AUFOZIDESA-N 412.530 3.352 0 40 HGAB O=C(COc1ccc2cc(-c3cc(F)cc(F)c3)c(=O)oc2c1)N1CCC[C@@H]1CO 36569653 KRUOTCCPOOKBRC-QGZVFWFLSA-N 415.392 3.100 0 40 HGAB C[C@@]12CCC(=O)N1[C@H](C(=O)N(Cc1ccc3c(c1)OCO3)C1CCCC1)CS2 36774038 CUZLVUFABDBAQO-HRAATJIYSA-N 402.516 3.141 0 40 HGAB C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)Nc1cccc(-c3ccn[nH]3)c1)C2=O 40087260 VIOJDFBVTKKDFP-RCDICMHDSA-N 409.490 3.152 0 40 HGAB O=C(CCc1cnn(-c2ccccc2)c1)Nc1ccc(CCN2CCOCC2)cc1 40157055 UUAWTZGRRKLGMH-UHFFFAOYSA-N 404.514 3.318 0 40 HGAB CC(C)n1nc(C(=O)O[C@@H](C)c2nc3ccccc3c(=O)[nH]2)c2ccccc2c1=O 40159270 VPUADZATHOVTMC-ZDUSSCGKSA-N 404.426 3.132 0 40 HGAB CCOC(=O)CCCCCCNC(=O)N[C@H](c1cccc(F)c1)c1nccn1C 45264227 XRHBNICSMKTFKF-LJQANCHMSA-N 404.486 3.461 0 40 HGAB Cc1cc(C)n(-c2ccc(CNC(=O)c3ccccc3OC[C@H]3CCCO3)cn2)n1 48253873 ROQMBZWJNKMBBP-LJQANCHMSA-N 406.486 3.372 0 40 HGAB COc1ccc(-c2nnc(CC(=O)N3CCN(c4cc(C)ccc4C)CC3)o2)cc1 49405744 XMHKXLGVKCVRIQ-UHFFFAOYSA-N 406.486 3.253 0 40 HGAB Cc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccc(C)cc4F)ncn3n2)c(C)c1 51316990 FQNBYAFFDQOYPG-UHFFFAOYSA-N 405.433 3.261 0 40 HGAB CS(=O)(=O)Nc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)cc1 57195518 KGSUJRZFAOQKFL-UHFFFAOYSA-N 408.907 3.398 0 40 HGAB COCCOc1ccc(CN2C[C@H]3ON=C(c4ccccc4F)[C@H]3C2)cc1OC 72343304 VJZZKAWLTLRZGT-LAUBAEHRSA-N 400.450 3.094 0 40 HGAB CN(C[C@@H]1CCCN1C(=O)C[C@H]1Sc2ccccc2NC1=O)C(=O)OC(C)(C)C 78935040 QNUMKCKNARZSMU-WMLDXEAASA-N 419.547 3.347 0 40 HGAB O=C(COc1coc(CN2CCCCCC2)cc1=O)Nc1cc(F)c(F)c(F)c1 79478353 ZWPQBQFOLBCDBF-UHFFFAOYSA-N 410.392 3.451 0 40 HGAB COc1ccc(CCNC(=O)N2CCC(Oc3cnc4ccccc4n3)CC2)cc1 90678727 VIPWXTDGIIALCP-UHFFFAOYSA-N 406.486 3.434 0 40 HGAB CCCS(=O)(=O)NC1CCN(c2nc(C(F)(F)F)nc3ccsc23)CC1 95949009 FSPKYEWLKZWTAJ-UHFFFAOYSA-N 408.471 3.008 0 40 HGAB CC(C)(C)[S@](=O)CCNC(=O)C[C@](O)(c1nc2ccccc2s1)C(F)(F)F 95958700 UTQUQZXICJUKJI-OQRWROFFSA-N 422.494 3.100 0 40 HGAB CCC[C@H](NC(=O)C1CCN(C(=O)c2ccc(OC)c3ccccc23)CC1)C(=O)O 95991855 FNCCQQHRJUPGGY-IBGZPJMESA-N 412.486 3.070 0 40 HGAB O=C(NCCc1ccccc1)c1nc(-c2cn(C[C@@H]3CCCO3)cn2)n2ccccc12 96155149 VXFBLFCTRYCJRI-IBGZPJMESA-N 415.497 3.349 0 40 HGAB O=C(Nc1cccc(F)c1)[C@@H]1CN(C(=O)NCc2ccccc2)CC12CCOCC2 96241100 QMXKVXVEHBUTPT-FQEVSTJZSA-N 411.477 3.403 0 40 HGAB C[C@H]1N=C(O)c2ccccc2N(CC(=O)NCCSc2ccc(Cl)cc2)C1=O 97531456 SHHPUYFPEKFBAQ-CYBMUJFWSA-N 417.918 3.288 0 40 HGAB CCC(=O)N1CCc2c(nc3cc([C@@H]4CCCN4Cc4ccccc4F)nn3c2O)C1 100234397 JGFUJEOMBBCQPC-FQEVSTJZSA-N 423.492 3.206 0 40 HGAB C[C@@H]1C(=O)Nc2ccc(C(=O)CSc3nnc(NC[C@@H]4CCCO4)s3)cc21 101793847 IIAQGISLDXQNCR-JQWIXIFHSA-N 404.517 3.160 0 40 HGAB O=C(NCCOc1cccc2ccccc12)c1ccc(S(=O)(=O)N2CCCC2)cc1 108230249 INOIPWUVZQBJNF-UHFFFAOYSA-N 424.522 3.433 0 40 HGAB CCc1ccc(OCC(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2OC)cc1 216298205 ZDDJISGGWBSORI-UHFFFAOYSA-N 418.515 3.060 0 40 HGAB C[C@@H](NC(=O)CN(c1ccccc1)S(=O)(=O)N(C)C)c1ccc2c(c1)CCCC2 222932626 PKYKEMCMCBBWDH-QGZVFWFLSA-N 415.559 3.056 0 40 HGAB CC[C@H](NS(=O)(=O)c1cc(Cl)ccc1OC)c1ccc(S(C)(=O)=O)cc1 223256648 BLNAFYXCMHZHDY-HNNXBMFYSA-N 417.936 3.182 0 40 HGAB O=C(O)c1ccccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)o1 223631389 PBBIVIUYEODRBC-PMACEKPBSA-N 423.494 3.395 0 40 HGAB CCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(Cl)cc1 224008535 WIMJKMHHXSGYQP-OAHLLOKOSA-N 404.894 3.281 0 40 HGAB CCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)COc1ccc(OC)cc1 224847713 XGPYZWBYUMWDEI-INIZCTEOSA-N 402.466 3.157 0 40 HGAB COc1cc(NC(=S)NC2CCN(C3CCOCC3)CC2)c(OC)cc1Cl 225213529 MPCYCVQJXADURU-UHFFFAOYSA-N 413.971 3.287 0 40 HGAB CCN(Cc1ccccc1)C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1 225527899 GPAXRBYSUMEZNL-HXUWFJFHSA-N 400.544 3.444 0 40 HGAB COC(=O)c1cccc(NC(=S)NCc2ccccc2CN2CCCC2=O)c1C 225652148 ITFMHKLYTXNMKU-UHFFFAOYSA-N 411.527 3.391 0 40 HGAB O=C(NCCn1nc(-c2cnccn2)cc1C1CC1)c1ccc(Br)o1 238952582 XGIPHIMGFNKJGY-UHFFFAOYSA-N 402.252 3.003 0 40 HGAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)N[C@H](CC(C)C)c1ccccc1)O2 260577559 BUVIGWNXFIWQCS-WIYYLYMNSA-N 416.543 3.426 0 40 HGAB COc1ccc(CN2CCN(C)[C@@H](c3nnn4cc(-c5ccncc5)ccc34)C2)cc1 306139571 TUPBMFDTPQIBOZ-HSZRJFAPSA-N 414.513 3.289 0 40 HGAB CCNC(=O)CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1 408972274 QOHWCTCPSFODCS-UHFFFAOYSA-N 401.315 3.320 0 40 HGAB CC(=O)c1c[nH]c(C(=O)NCc2ccc([C@H](C)NC(=O)c3cc(C(C)=O)c[nH]3)cc2)c1 542423684 MVKAADYDNCHISR-ZDUSSCGKSA-N 420.469 3.169 0 40 HGAB CCn1nc(-c2ccc(C)c(S(=O)(=O)NC3CCCC3)c2)c2c(c1=O)CCCC2 46027547 VBTJGVBQWMBSBG-UHFFFAOYSA-N 415.559 3.338 0 40 HGAB Nn1c(SCC(=O)Nc2ccc(F)cc2)nnc1-c1ccc(OC(F)F)cc1 2643384 CKJANBNCSRFIIQ-UHFFFAOYSA-N 409.393 3.130 0 40 HGAB Cc1cc(C)nc(SCc2nnc(SCC(=O)N[C@@H]3CCCC[C@@H]3C)n2C)n1 883012 MRGFORVBXMKRCO-SWLSCSKDSA-N 420.608 3.301 0 40 HGAB O=C(/C=C/c1cnn(-c2ccccc2)c1)NC[C@@H](c1ccc(F)cc1)N1CCOCC1 29931484 VLMKLQNOKOLQCY-VMMLISQSSA-N 420.488 3.214 0 40 HGAB CCOC(=O)c1ccc(NC(=O)[C@@H]2C(=O)N(C)[C@]3(C)C[C@H]2c2ccccc2O3)cc1 4174419 JTACJWZZFAPPCS-GWJPWWOOSA-N 408.454 3.173 0 40 HGAB CCCCOc1ccc(-c2nnn(CC(=O)NCCc3c[nH]c4ccccc34)n2)cc1 4213676 KONKCVQLAFOXLP-UHFFFAOYSA-N 418.501 3.359 0 40 HGAB CSc1ncccc1C(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21 32820371 NAXPNHCPBLGTJF-UHFFFAOYSA-N 417.556 3.181 0 40 HGAB COc1ccccc1N1C[C@@H](C(=O)OCC(=O)Nc2cc(Cl)ccc2C)CC1=O 4512481 HQQAQQJWIDTLIP-AWEZNQCLSA-N 416.861 3.192 0 40 HGAB CCc1ccc(-c2ccc(=O)n(CCC(=O)NCc3ccc(OC)c(OC)c3)n2)cc1 41253973 HELWGQOZSQGCBX-UHFFFAOYSA-N 421.497 3.196 0 40 HGAB C[C@H](Sc1nnc(-c2ccc(F)cc2)n1N)C(=O)N[C@@H]1CCCc2ccccc21 6532643 ZRSLGEPNQQDJJD-SCLBCKFNSA-N 411.506 3.472 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)CCc2ccc(OC)c(OC)c2)cc1 6610960 RRHNVMJDYYMFDL-UHFFFAOYSA-N 420.531 3.306 0 40 HGAB C[C@@H](Sc1nnc(NC2CC2)s1)C(=O)Nc1ccc(N2CCOCC2)cc1 8230873 MVEDUPXLILHMHD-GFCCVEGCSA-N 405.549 3.068 0 40 HGAB COc1ccc(CCNCc2ccc(OCC(=O)NC(C)(C)C)c(OC)c2)cc1 6882451 NWUIVEXARWPZEL-UHFFFAOYSA-N 400.519 3.330 0 40 HGAB Cc1nccn1-c1cc(CNC(=O)Cc2cc(Cl)c3c(c2)OCCCO3)ccn1 47011859 VLYWSUICRQJPGI-UHFFFAOYSA-N 412.877 3.249 0 40 HGAB CCOC(=O)[C@@H]1CCCN(C(=O)N[C@]2(C(F)(F)F)Oc3ccc(Cl)cc3O2)C1 646262 SYKLQYCTRSITGN-BMLIUANNSA-N 422.787 3.312 0 40 HGAB O=c1cc(CN2CCN(Cc3csc(-c4ccccc4)n3)CC2)nc2ccccn12 22912522 XZOLCCHZGQQUII-UHFFFAOYSA-N 417.538 3.136 0 40 HGAB C[C@@H](Sc1nc2ccccc2c(=O)n1CCCO)C(=O)N1c2ccccc2C[C@H]1C 23885241 ZLBPIKKIJUBGQD-HZPDHXFCSA-N 423.538 3.237 0 40 HGAB COc1ccc2c(CC(=O)N3CCC(n4c(=O)[nH]c5ccccc54)CC3)coc2c1 23872996 PPDHXKVRSRYSOU-UHFFFAOYSA-N 405.454 3.491 0 40 HGAB Fc1ccc(-n2ncc3c(NCc4ccccc4CN4CCOCC4)ncnc32)cc1 24528782 JOBHIOQHYOAAAE-UHFFFAOYSA-N 418.476 3.399 0 40 HGAB Cc1[nH]c2ccccc2c1CC(=O)N1CCN(Cc2nc(-c3cccs3)no2)CC1 24694645 JJIZXRJYTBARGO-UHFFFAOYSA-N 421.526 3.475 0 40 HGAB O=C(Cn1ncc(Br)c(Br)c1=O)c1ccc(Cl)cc1 1386877 CSQCXGDMVZSXNK-UHFFFAOYSA-N 406.461 3.305 0 40 HGAB Cc1ccc(N2C(=O)C[C@@H](c3c(C)nn(-c4nc5ccccc5[nH]4)c3O)C2=O)c(C)c1 100069176 HCHGHILVXGACHG-HNNXBMFYSA-N 415.453 3.427 0 40 HGAB CCN1C(=O)[C@H](CC(=O)Nc2ccc(OC)cc2)N(CCc2ccccc2)C1=S 1431192 QIFXBPPGNZOYQI-IBGZPJMESA-N 411.527 3.084 0 40 HGAB O=C1Nc2ccccc2Sc2cc(Cl)c(S(=O)(=O)N3CCOCC3)cc21 35324112 RXQDNNOVTQTDPV-UHFFFAOYSA-N 410.904 3.078 0 40 HGAB CN(C)S(=O)(=O)N1CCC(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)CC1 10338079 NCFKMCZANQIACJ-UHFFFAOYSA-N 414.742 3.104 0 40 HGAB COC(=O)c1ccc(NC(=O)[C@H](C)N(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1 10323909 WDOFEZIIRBYVTE-ZDUSSCGKSA-N 424.906 3.228 0 40 HGAB Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1C(=O)C(=O)Nc1ncccc1O 12631701 IDASQIWRHBVXRZ-UHFFFAOYSA-N 404.348 3.430 0 40 HGAB COc1ccccc1C(=O)NCCSCc1nc2sc(C)c(C)c2c(=O)[nH]1 36354022 CVXAAVFSOVHWIG-UHFFFAOYSA-N 403.529 3.273 0 40 HGAB Cc1ncsc1C(=O)N[C@@H]1CCCC[C@@]12CN(Cc1cnn(C(C)C)c1)CCO2 306129553 IGTOVVINPFXFGV-WIYYLYMNSA-N 417.579 3.173 0 40 HGAB Cc1ccc(NC(=O)/C=C/c2ccccc2OC(F)F)cc1S(=O)(=O)N(C)C 11431906 ZGAMAKRZRPVUQD-PKNBQFBNSA-N 410.442 3.499 0 40 HGAB Nc1ncnc2sc3c(c12)CCN(C(=O)[C@H]1COc2ccc(Cl)cc2C1)C3 12739019 LHJOJTKSCZSIFL-LLVKDONJSA-N 400.891 3.063 0 40 HGAB Cc1occc1C(=O)N1Cc2cn(C(C)C)nc2C2(CCN(c3ncccn3)CC2)C1 306137460 QXBWYEZSRCPRLI-UHFFFAOYSA-N 420.517 3.350 0 40 HGAB NS(=O)(=O)c1cccc(S(=O)(=O)Oc2c(Cl)cc(Cl)cc2Cl)c1 12853324 DSPDWTGQDRUAOA-UHFFFAOYSA-N 416.691 3.062 0 40 HGAB C[C@H](C(=O)Nc1ccc(F)c(F)c1)N1CCC(C(=O)NCc2ccccc2)CC1 12819172 LSYMDDWUFMOJJJ-OAHLLOKOSA-N 401.457 3.320 0 40 HGAB COc1ccc(C)cc1NC(=O)CSc1nnc(C[C@@H](C)c2ccccc2)n1N 3433052 VNZYUHXGAPFWTF-OAHLLOKOSA-N 411.531 3.386 0 40 HGAB O=C(Cn1c(=O)oc2cc(Cl)ccc21)N1CCC[C@H]1c1ccc2c(c1)OCCO2 8324736 AUKDGCJFJJBAOY-HNNXBMFYSA-N 414.845 3.383 0 40 HGAB O=C(CSc1nnc2n1CCCCC2)N1CCC[C@H]1c1ccc2c(c1)OCCO2 12983849 IUAPQQQEBLIUNY-INIZCTEOSA-N 414.531 3.232 0 40 HGAB CC(=O)Oc1ccc([C@H]2C(C(=O)OCC(C)C)=C(C)N=C3S[C@@H](C)C(=O)N32)cc1 3636582 JSTXEHLUSNBSNQ-UGSOOPFHSA-N 416.499 3.460 0 40 HGAB O=C(NCc1ccccc1CN1CCOCC1)c1nn(-c2ccccc2)c2c1CCC2 13003923 BQVSVQHEPZDOJB-UHFFFAOYSA-N 416.525 3.123 0 40 HGAB CCOc1ccc(NS(=O)(=O)c2ccc(C(=O)NCc3ccncc3)cc2)cc1 17168480 OUKBINDBCUPLKM-UHFFFAOYSA-N 411.483 3.211 0 40 HGAB Cc1nc2c3ccccc3nc(SCCS(=O)(=O)Oc3ccccc3)n2n1 13229759 MKBDIKLTIAVDDP-UHFFFAOYSA-N 400.485 3.087 0 40 HGAB CCN(C(=O)CN1C(=O)N[C@@](CC)(c2ccc(F)cc2)C1=O)c1ccc(F)cc1 6087393 BBFFBGDOPQGKFD-NRFANRHFSA-N 401.413 3.175 0 40 HGAB O=C(NCc1cccnc1)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1 6244634 VUXFUQGVHIUGDZ-UHFFFAOYSA-N 401.875 3.466 0 40 HGAB COCCn1c(CCc2ccccc2)nnc1SCC(=O)N1CCCCCC1 4419073 CCBHSZRLPMUHRW-UHFFFAOYSA-N 402.564 3.204 0 40 HGAB O=C(c1cccnc1N1CCCC1)N1CCN(CCOc2ccc(Cl)cc2)CC1 14108287 GENHJZSVRHPKLI-UHFFFAOYSA-N 414.937 3.172 0 40 HGAB CCNS(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccc(OC)cc3)cs2)cc1 14246182 QYHOHWVLOSKNMS-UHFFFAOYSA-N 417.512 3.369 0 40 HGAB CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2nc(-c3ccncc3)cs2)c1 6583004 UXIQASDIGYPUDV-UHFFFAOYSA-N 416.528 3.488 0 40 HGAB CCS(=O)(=O)N(C)c1ccc(C(=O)Nc2cc(OC)c(Cl)cc2OC)cc1 14396734 PQIYLIVYJZKQPP-UHFFFAOYSA-N 412.895 3.395 0 40 HGAB NC(=O)c1c(NC(=O)COC(=O)/C=C/c2ccccc2Cl)sc2c1CCC2 6643909 HLWWRVSZRBFHNZ-CMDGGOBGSA-N 404.875 3.184 0 40 HGAB COc1cc2oc(=O)c(CC(=O)NC[C@H](O)c3ccccc3)c(C)c2cc1Cl 6659791 MIZIWDYLQLZVIO-KRWDZBQOSA-N 401.846 3.156 0 40 HGAB CC(C)n1cnc([C@H]2CN(C(=O)c3ccccc3)C[C@]23CCN(CC2CC2)C3=O)c1 306132689 LPHXGAULCPHTHW-HYBUGGRVSA-N 406.530 3.332 0 40 HGAB Cc1ccc(CN(C(=O)c2ccc(OCC(C)C)cc2)[C@H]2CCS(=O)(=O)C2)o1 6810329 MHNSJCRRNCZMJM-SFHVURJKSA-N 405.516 3.452 0 40 HGAB CC(C)NC(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1 4995208 GCSOWIFYUFOZOS-UHFFFAOYSA-N 400.422 3.425 0 40 HGAB Cn1cc(-c2ccc(Cl)cc2)c2ncn(CC(=O)NCc3ccccc3)c(=O)c21 67235670 VLTIWIYCQSTQSZ-UHFFFAOYSA-N 406.873 3.372 0 40 HGAB O=c1ccc(Br)cn1Cc1nnc(-c2ccccc2Br)o1 15513767 OVMIROKASGGAFB-UHFFFAOYSA-N 411.053 3.472 0 40 HGAB Cc1nc(NS(=O)(=O)c2ccc(Cl)cc2)sc1C(=O)NCc1ccncc1 8978794 DBESHBHFTFLIAD-UHFFFAOYSA-N 422.919 3.231 0 40 HGAB COc1cc(CCC(=O)NCc2ccc(N3CCCC3=O)cc2)cc(OC)c1OC 7490600 ULTSCIKYGAZGST-UHFFFAOYSA-N 412.486 3.088 0 40 HGAB Cc1cccc(-c2noc(CN(C(=O)CN3C(=O)c4ccccc4C3=O)C(C)C)n2)c1 7780633 BTEYCKFYVNDMCG-UHFFFAOYSA-N 418.453 3.078 0 40 HGAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)COc2ccc(-c3nnco3)cc2)c1 7773904 XVOLAPBIIZKKCG-IBGZPJMESA-N 409.442 3.496 0 40 HGAB COC(=O)c1ccc(C)c(NC(=O)[C@@H]2CS[C@@]3(c4ccccc4)CCC(=O)N23)c1 7801324 CRFUYNQMYWJNON-PGRDOPGGSA-N 410.495 3.311 0 40 HGAB CCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)C(=O)c1ccc2c(c1)CCCC2 7810660 AQQPXBOBAJAPGB-UHFFFAOYSA-N 421.497 3.481 0 40 HGAB C[C@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)NCCc2cccs2)C1=O 8157090 VPNXZSNTSYENQG-JOCHJYFZSA-N 407.495 3.027 0 40 HGAB CC(C)NC(=O)CSc1ccccc1C(=O)NCCc1ccc2c(c1)OCCO2 9336404 KSTQLPHDOPICLM-UHFFFAOYSA-N 414.527 3.047 0 40 HGAB COc1ccc(N2C[C@H](c3nc(-c4ccc5c(c4)OCO5)no3)CC2=O)cc1OC 9318224 ZVBWUGQJBODYMF-CYBMUJFWSA-N 409.398 3.003 0 40 HGAB COc1ccc(-n2ccc(C(=O)NCc3ccnn3CCc3ccccc3)n2)cc1 79070032 ZAGXRFFFOYCCQU-UHFFFAOYSA-N 401.470 3.250 0 40 HGAB CC(=O)c1ccc(O)c(NC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)c1 95465020 QXLSBYXUEBTOBD-UHFFFAOYSA-N 416.499 3.412 0 40 HGAB Cc1cccc(OCC(=O)N2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)c1 89672930 KMOVTDCJHDRXIO-UHFFFAOYSA-N 416.543 3.030 0 40 HGAB Nc1nc(N2CCCCC2)nc2c1[C@H](C(=O)Nc1cccc3ccccc13)CC(=O)N2 20635704 QRDAILIWHBPQEN-MRXNPFEDSA-N 416.485 3.267 0 40 HGAB O=C(Nc1ccccc1C(F)(F)F)N1CC(c2nc(-c3ccc[nH]c3=O)no2)C1 77099647 OVBADBCBPYYSMH-UHFFFAOYSA-N 405.336 3.075 0 40 HGAB Cc1cc2c(cc1CN1CCC[C@@H](c3cc(=O)[nH]c(-c4ccccn4)n3)C1)OCO2 72393271 CVOLSSIDFMAHPS-MRXNPFEDSA-N 404.470 3.249 0 40 HGAB CCOc1ccc(C(=O)C2CCN(Cc3nnnn3Cc3ccc(F)cc3)CC2)cc1 35314506 BAAYQSDQRLYVAD-UHFFFAOYSA-N 423.492 3.354 0 40 HGAB CCN1CCN(c2ccccc2NC(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)CC1 36392533 CCIATNKVHVWDTF-UHFFFAOYSA-N 424.589 3.100 0 40 HGAB Cc1ccc(Br)c2c1N(C(=O)[C@H]1CC13CCS(=O)(=O)CC3)CCC2 560088465 LAMVHGAWQQORDS-CQSZACIVSA-N 412.349 3.252 0 40 HGAB COc1cc(C)c(S(=O)(=O)N2CCN(C/C=C/c3ccccc3)CC2)c(C)c1 223007979 NXLQJFKWJQATOX-JXMROGBWSA-N 400.544 3.332 0 40 HGAB Cc1ccc(CN(C)C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)cc1 225522546 JBZYDTVVZOPQDZ-HXUWFJFHSA-N 400.544 3.363 0 40 HGAB CCc1ccc(N(CC(=O)NCCOc2ccc(C)c(Cl)c2)S(C)(=O)=O)cc1 224134983 ONHZTELLQOTFIO-UHFFFAOYSA-N 424.950 3.172 0 40 HGAB O=C(O)[C@H](Cc1ccccc1)NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(Cl)cc1 40267183 QQNCUHFXAACJOJ-AZUAARDMSA-N 424.888 3.416 0 40 HGAB O=C(NCC1(c2ccc(F)cc2)CC1)C(=O)Nc1cccc(N2CCCCC2=O)c1 49512687 LVDHZFYIAGSLGG-UHFFFAOYSA-N 409.461 3.129 0 40 HGAB CS(=O)(=O)N(CC(=O)Nc1ccc(C(F)(F)F)cc1)Cc1ccccc1F 224271705 YQSNGMNQDLMACA-UHFFFAOYSA-N 404.385 3.245 0 40 HGAB COc1ccc(S(=O)(=O)N(C)Cc2cccs2)cc1C(=O)N1CCCCC1 223873761 BGABJJLZUVWCGD-UHFFFAOYSA-N 408.545 3.204 0 40 HGAB CC[C@@H](C(=O)NCCOc1ccccc1)N(c1ccc(C)c(C)c1)S(C)(=O)=O 224311890 OCBZRXZEASCPGZ-FQEVSTJZSA-N 404.532 3.043 0 40 HGAB COc1ccc(S(=O)(=O)NCC2CCN(Cc3cc(C)oc3C)CC2)c(C)c1 43954235 CEPQMAALDKMIHU-UHFFFAOYSA-N 406.548 3.404 0 40 HGAB Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)N[C@H](C)c3ccccc3)s2)c1 223285921 VWPRCNOXYREEHY-CYBMUJFWSA-N 402.501 3.138 0 40 HGAB O=C(/C=C/c1ccccc1)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1 224353499 ZXYKHNSEEKKIDE-NTEUORMPSA-N 414.527 3.070 0 40 HGAB CCCNC(=O)N1CC[C@@](C)(O)[C@@H](NC(=O)c2ccc(F)cc2)[C@@H]1c1ccccc1 514290128 SGDQOZJZIOGPOW-SXWKCWPCSA-N 413.493 3.242 0 40 HGAB biogenic,in-vitro O=C1c2ccccc2C(=O)N1Cc1nn2c(-c3cc4ccccc4o3)nnc2s1 96194038 MVDBALIFRVJYDX-UHFFFAOYSA-N 401.407 3.395 0 40 HGAB Cn1cc(CN2CCC3(CC2)C[C@H](CC(=O)N2CCCC2)c2ccccc2O3)cn1 96053211 FXBOBKPJTLJILG-FQEVSTJZSA-N 408.546 3.334 0 40 HGAB Cc1csc(NC(=O)[C@H]2CC(=O)N(c3n[nH]c4cc(Br)ccc34)C2)n1 95473019 MNXRQMHIIGCSHU-VIFPVBQESA-N 420.292 3.082 0 40 HGAB NC(=O)C[C@@]1(COc2ccc(F)cc2)CCCN(C(=O)CCc2ccc(F)cc2)C1 257261559 LHWASINIHBVVAF-QHCPKHFHSA-N 416.468 3.461 0 40 HGAB CCOC[C@]1(C(N)=S)[C@@H](c2ccc(OC)cc2)[C@H]1S(=O)(=O)c1ccc(C)cc1 252516062 PUHGFQZAXNQWEL-ZVDOUQERSA-N 419.568 3.252 0 40 HGAB Cc1ccc(N(CC(=O)N[C@H](C)c2ccc3c(c2)CCC3)S(C)(=O)=O)c(C)c1 260945360 UNMWBPZVZHVTRI-QGZVFWFLSA-N 400.544 3.436 0 40 HGAB CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NC[C@H](C)c1ccccc1 260842619 IVFYPLMDFMAONC-OXJNMPFZSA-N 404.532 3.160 0 40 HGAB O=C(c1cc2cc(F)ccc2[nH]1)N1CCC[C@](O)(CN2CCC(F)(F)CC2)CC1 585183671 ZCSWSOBMHIZHLA-HXUWFJFHSA-N 409.452 3.395 0 40 HGAB CCc1nnc(Nc2cc([C@@H]3CCCN3C(=O)/C=C/c3ccco3)nc(C)n2)s1 585291645 DWIYPUQOBQRYJE-FDMDGMSGSA-N 410.503 3.912 0 40 HGAB Cc1ccc(C(=O)N2C[C@@H](C)C[C@H](C)C2)cc1NC(=O)c1nc2nccc(C)n2n1 55593326 UBQUJUZAFPKNJL-KBPBESRZSA-N 406.490 3.112 0 40 HGAB C=C(C)C(=O)OCCOC(=O)C1=C(N)OC(C)=C(C#N)[C@@H]1c1ccccc1Cl 5791495 COLVWJIQYJOWJE-INIZCTEOSA-N 402.834 3.084 0 40 HGAB CSc1ccccc1CN1[C@H]2CC[C@@H]1CC(O)(Cn1nc(C3CC3)ccc1=O)C2 12366357 NHLWWUSPZUMPQD-LIMIJEPZSA-N 411.571 3.401 0 40 HGAB COc1ccc(C(=O)Nc2nc(-c3ccccc3)cs2)cc1S(=O)(=O)N(C)C 12787655 OFOVABHLRNPYIU-UHFFFAOYSA-N 417.512 3.321 0 40 HGAB Cc1ccc(CCCNC(=O)CN(c2ccc(F)c(Cl)c2)S(C)(=O)=O)cc1 13670413 LPVGEJBAEGSDJI-UHFFFAOYSA-N 412.914 3.303 0 40 HGAB O=C(CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)Nc1ccc(Br)cc1Cl 14785416 JRGDPSJXMZCTPP-VXGBXAGGSA-N 411.683 3.382 0 40 HGAB COc1cccc(CC(=O)N[C@@H](Cc2cc(O)n3nc(C)cc3n2)c2ccccc2)c1 19129972 IMGMEDRWKJXHLG-NRFANRHFSA-N 416.481 3.395 0 40 HGAB CCCCOC(=O)c1ccc(NC(=O)CCc2ccc(S(=O)(=O)NC)cc2)cc1 19171505 UPFUDPJQHACLBG-UHFFFAOYSA-N 418.515 3.123 0 40 HGAB COC[C@H](C)N(Cc1cccc(C)c1)S(=O)(=O)c1c(C)nn(C(F)F)c1C 19234925 RIENMPAACRMLPQ-ZDUSSCGKSA-N 401.479 3.429 0 40 HGAB CC(C)NC(=O)[C@]1(Cc2cccc(-c3ccncc3)c2)CCN(C(=O)[C@@H]2CCCO2)C1 19449185 JHXALNKORUGAPV-DHLKQENFSA-N 421.541 3.213 0 40 HGAB CN(C)C(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CCCN(C(=O)c2cc[nH]n2)C1 19579234 PWXBVEHQTPHDPJ-XMMPIXPASA-N 417.513 3.025 0 40 HGAB Cn1cc(S(=O)(=O)N2CCC[C@H]2Cc2ccccc2Cl)c(C(F)(F)F)n1 555283571 RXPLCJYKGIKYPD-LBPRGKRZSA-N 407.845 3.488 0 40 HGAB CCOC(=O)c1ccccc1NC(=O)CSc1nnnn1-c1ccc(Cl)cc1 3493378 OFSONGQQXKXKHR-UHFFFAOYSA-N 417.878 3.223 0 40 HGAB O=C1CCCN1CCN1CCC(c2ccc3cc(-c4ccncc4)cnc3n2)CC1 1888913723 OMKYVACCBBXMBM-UHFFFAOYSA-N 401.514 3.494 0 40 HGAB CCOC(=O)N1CCC[C@H](C(=O)N(CC)CC(=O)Nc2cc(Cl)ccc2C)C1 30549993 ATTALRFWDWXJRT-HNNXBMFYSA-N 409.914 3.304 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc(C)c3C)CC2)cc1 783954 NMIFHOPBRHITRI-UHFFFAOYSA-N 402.516 3.351 0 40 HGAB COc1cc(C(=O)Nc2sc3c(c2C(N)=O)C[C@@H](C)CC3)cc(OC)c1OC 2475287 MMLLLURXHAOAEV-JTQLQIEISA-N 404.488 3.250 0 40 HGAB O=C(CSc1nc(=O)n(Cc2ccco2)c2c1CCC2)N1CCc2ccccc21 4940096 UMMUKDNGNWWIGD-UHFFFAOYSA-N 407.495 3.055 0 40 HGAB Cc1ccc(S(=O)(=O)N(C[C@@H](O)Cn2nc(C)cc2C)c2ccc(F)cc2)cc1 16839628 WGMNJZQBWIVIFU-FQEVSTJZSA-N 417.506 3.204 0 40 HGAB COc1cc([C@@H](c2sc3ncnn3c2O)N2CCC(C)CC2)cc(OC)c1OC 22609945 YLAKGTZHKRVOOQ-INIZCTEOSA-N 418.519 3.344 0 40 HGAB CC[C@@H](C)[C@H](NC(=O)N1CCc2nc[nH]c2[C@@H]1c1cc(Cl)ccc1F)C(=O)OC 20723667 ADRAJSOYDBQBDU-VOZBZGINSA-N 422.888 3.447 0 40 HGAB O=C(Nc1cccc(C(=O)N2CCC[C@@H]2c2nnc3n2CCCCC3)c1)[C@H]1CCCO1 40080363 OTSRLOHUYCTWLL-RTBURBONSA-N 423.517 3.099 0 40 HGAB O=C(O)CCCC(=O)N1CCN(c2nc(-c3ccccc3)c3ccccc3n2)CC1 889805 PMHKLKSBKHHXCZ-UHFFFAOYSA-N 404.470 3.200 0 40 HGAB CCOC(=O)[C@](NC(=O)NCc1cccc(C(F)(F)F)c1)(OCC)C(F)(F)F 2273726 GBOSQCSVIWCVHN-AWEZNQCLSA-N 416.318 3.363 0 40 HGAB COc1cc(CC(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C)C3)cc(OC)c1OC 2640125 WOEPSYILYIRLME-LLVKDONJSA-N 418.515 3.179 0 40 HGAB Cc1nn(Cc2ccc(F)cc2Cl)c(C)c1N1C(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C1=O 2809222 MNNBMQCYKDQJSJ-WNKDZCFJSA-N 403.841 3.008 0 40 HGAB CCOC(=O)N1CCc2c(sc(NC(=O)c3cccc(OC)c3)c2C(=O)OC)C1 4280332 RLZDLEJFLLERSY-UHFFFAOYSA-N 418.471 3.310 0 40 HGAB CN(C[C@@H]1CCCO1)S(=O)(=O)c1ccc(C(=O)Nc2ccc(F)cc2F)cc1 4325607 WOPDXWLKWABGQN-HNNXBMFYSA-N 410.442 3.017 0 40 HGAB COc1cccc(-c2nnc(SCC(=O)Nc3cc(OC)ccc3OC)n2C)c1 4736494 HRMSQEOFHMVENL-UHFFFAOYSA-N 414.487 3.239 0 40 HGAB C[C@H]1CCCCN1C(=O)CSc1nc2ccccc2n1CC(=O)NC(C)(C)C 4859087 MCPKGZMPSPRHAH-HNNXBMFYSA-N 402.564 3.444 0 40 HGAB Cc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)c(C)n1-c1cccnc1 4933221 HYYCBDLNCJIKRU-WOJGMQOQSA-N 410.499 3.148 0 40 HGAB COc1ccc(CNC(=O)[C@@H](C)OC(=O)CSc2ncnc3sccc23)cc1 5563356 GPOWHQAHZDQGBJ-GFCCVEGCSA-N 417.512 3.040 0 40 HGAB COC(=O)C[C@H]1SC(=O)N[C@]12Oc1ccccc1[C@@H]1CC(c3ccccc3)=NN12 5675119 CEHBDOODFBGBGJ-YRISNDGFSA-N 409.467 3.272 0 40 HGAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2cccc3ccccc23)cc1OC 6267131 VMFHLJZVNSOZLJ-CQSZACIVSA-N 414.483 3.163 0 40 HGAB O=C(/C=C/c1ccccc1)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 6372055 HLIADUFZTAGYFW-RMKNXTFCSA-N 406.891 3.013 0 40 HGAB C[C@@H]1CCN(C(=O)CSc2nnnn2-c2ccc(O)cc2)c2ccccc2S1 7036022 UWJDGDYONFKZHL-CYBMUJFWSA-N 413.528 3.378 0 40 HGAB Cc1cc(=O)oc2cc(OCc3ccc(C(=O)O[C@@H](C)C(=O)N(C)C)cc3)ccc12 7088525 RQBSGNCOPBRCRC-HNNXBMFYSA-N 409.438 3.314 0 40 HGAB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)ccc1O 8112355 HKDWGNFPNBUSMJ-LZYBPNLTSA-N 402.403 3.215 0 40 HGAB COc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3CC(C)C)cc1OC 8840817 UEYVMMWYBJNRLV-UHFFFAOYSA-N 418.515 3.440 0 40 HGAB CN1C[C@]2(Cc3c1ccc1ccccc31)C(=O)NC(=O)N(CCc1ccccc1)C2=O 9089947 QKNBNSGPPUMIPU-RUZDIDTESA-N 413.477 3.140 0 40 HGAB CCn1cc(C(=O)NCCc2c[nH]c3ccccc23)c(=O)c2cc3c(cc21)OCO3 9184458 UYQIZZNRMNMMJP-UHFFFAOYSA-N 403.438 3.204 0 40 HGAB CCCS(=O)(=O)N1CCc2ccc(NC(=O)c3ccc(OC)cc3OC)cc2C1 11613173 ICUBNEIUQTXHMX-UHFFFAOYSA-N 418.515 3.054 0 40 HGAB O=C(Cn1c([C@H]2CC(=O)N(Cc3ccc(F)cc3)C2)nc2ccccc21)N1CCCC1 12062197 BJPISFQJFACKHF-SFHVURJKSA-N 420.488 3.314 0 40 HGAB Cc1cc(-c2cncnc2[C@H]2CCCN(CC(=O)N3CCc4ccccc43)C2)on1 12118406 QGMXLQYYPBFHGG-SFHVURJKSA-N 403.486 3.209 0 40 HGAB CCCCc1nc(CN2C[C@H]3NC(=O)c4ccccc4C(=O)[C@@]3(C)C2)c(Cl)[nH]1 12128398 XWQCPVKOMTYQGW-IERDGZPVSA-N 400.910 3.223 0 40 HGAB COc1ccc2c(c1)CN(C(C)=O)C[C@H]([C@H]1CCCN(Cc3ccncc3C)C1)O2 12135351 NWGAKYWNWYAROQ-GBXCKJPGSA-N 409.530 3.420 0 40 HGAB CCC(=O)N1CCc2cc([C@H](O)CN3CCC(O)(c4ccccc4C)CC3)ccc21 12181130 LCJGAECNSALFPE-HSZRJFAPSA-N 408.542 3.311 0 40 HGAB CCc1cc(O)n2nc([C@H]3CCCCN3S(=O)(=O)c3ccc(F)cc3)cc2n1 12276482 XLDQUWSRTPOXDU-QGZVFWFLSA-N 404.467 3.052 0 40 HGAB Cc1cccc(N2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)c1 12523598 ONLWTQCOGHZGSJ-UHFFFAOYSA-N 401.351 3.330 0 40 HGAB O=S(=O)(NCCc1ccccn1)c1cc(Br)ccc1Br 12526722 MQJSOYJLTDQQTB-UHFFFAOYSA-N 420.126 3.128 0 40 HGAB Cc1nc(SCc2nc(N)nc(Nc3ccccc3)n2)n(C[C@H]2CCCO2)c1C 12547263 QENAMTYOFGSDOR-MRXNPFEDSA-N 411.535 3.482 0 40 HGAB Cc1ccc(C)c(-n2nc(C)cc2NC(=O)CN(C)CC(=O)Nc2cccc(F)c2)c1 12814620 RLZILMKPZYTFLB-UHFFFAOYSA-N 423.492 3.446 0 40 HGAB Cc1ccc(C)c(S(=O)(=O)N2CCC(C(=O)N3CCc4ccccc4C3)CC2)c1 12998922 WNAKQGGUPFFBLC-UHFFFAOYSA-N 412.555 3.289 0 40 HGAB O=C(O)c1cc2c(cc1NS(=O)(=O)c1cc(Cl)ccc1Cl)OCCO2 13090213 ATXBSPVHADZIPO-UHFFFAOYSA-N 404.227 3.264 0 40 HGAB CC[C@H](C(=O)Nc1cccc(C(=O)OC)c1)N(c1cccc(Cl)c1)S(C)(=O)=O 13712878 CJHAYVUVZISHNW-QGZVFWFLSA-N 424.906 3.310 0 40 HGAB O=S(=O)(c1ccc(Br)cc1)N1CCC[C@H]1c1nnc2ccccn12 14188502 JFKNWVAPHCKIEP-AWEZNQCLSA-N 407.293 3.018 0 40 HGAB C/C=C/c1ccc(OC[C@@H](O)CN2C(=O)NC3(CCCCCC3)C2=O)c(OC)c1 14234675 RUOBHIFICMPCBY-HJYWZVSTSA-N 402.491 3.113 0 40 HGAB Cc1ccc(-n2nnnc2SC[C@H](O)COc2cccc(Br)c2)cc1 14246252 WARAGLZKVBCUKN-OAHLLOKOSA-N 421.320 3.265 0 40 HGAB Cc1cc(-c2cnc(NCCNC(=O)c3ccnn3C)nc2-c2ccc(C)s2)on1 19217445 LTQVCKKLAIZXTI-UHFFFAOYSA-N 423.502 3.052 0 40 HGAB CCC(=O)Nc1ccc([C@@H](O)CN2CCC3(CC2)C[C@@H](O)c2ccccc2O3)cc1 19499335 JXOWJKPNXFLDAC-RTWAWAEBSA-N 410.514 3.419 0 40 HGAB COc1ccc(CN2CCC[C@@H](c3cc(=O)[nH]c(-c4cccs4)n3)C2)cc1CO 19559312 FGKZVQCZPPDURN-MRXNPFEDSA-N 411.527 3.379 0 40 HGAB COc1ccc(CC(=O)N[C@H](c2cc(=O)[nH]c(-c3ccncc3)n2)C(C)C)cc1C 19571236 MGHJTYXFUXTLBC-QFIPXVFZSA-N 406.486 3.205 0 40 HGAB CNC(=O)[C@]1(Cc2ccccc2-c2ccncc2)CCN(C(=O)Cc2ccccc2)C1 19591509 TXPUCEWGZFRKTQ-SANMLTNESA-N 413.521 3.499 0 40 HGAB CC(=O)NCC(=O)N1CCC[C@@H]1c1ccc(Cc2cccc(C(F)(F)F)c2)cn1 19688441 FUAKGPZWZULXEF-LJQANCHMSA-N 405.420 3.491 0 40 HGAB Cc1ncc(C(=O)N2CC[C@@H](c3nc(N(C)C)ncc3-c3ccc(F)cc3)C2)c(C)n1 19695006 XITRYESVBUKXQK-QGZVFWFLSA-N 420.492 3.385 0 40 HGAB COc1cccc(CCCNC(=O)CN(c2ccc(C)c(Cl)c2)S(C)(=O)=O)c1 22337563 JVZRKEWQPZNKRI-UHFFFAOYSA-N 424.950 3.172 0 40 HGAB COc1ccc([C@H](CNC(=O)C2=NN(C)C(=O)CC2)c2c[nH]c3ccccc23)cc1 23573478 UJJXEEIJHWCMON-SFHVURJKSA-N 404.470 3.033 0 40 HGAB C[C@@H](C(=O)N1CCc2ccccc21)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 23762848 MXLKZNZSAQRNII-HNNXBMFYSA-N 404.436 3.200 0 40 HGAB NC(=O)N[C@H](CC(=O)NCc1ccccc1Cn1ccnc1)c1ccccc1Cl 24437523 CZVJDAGVHBCYGT-LJQANCHMSA-N 411.893 3.001 0 40 HGAB COc1cccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccc(C)cc3)CC2)c1 24609001 NHLVIXNFLVKTFY-UHFFFAOYSA-N 402.516 3.184 0 40 HGAB CC(C)c1ccc(C(=O)N2CCN(Cn3nnn(C(C)(C)C)c3=S)CC2)cc1 25475250 INFDTTDKTMQACQ-UHFFFAOYSA-N 402.568 3.103 0 40 HGAB O=C([C@@H](Cc1ccccc1)n1cnnn1)N1CCC[C@H](c2nc3ccccc3o2)C1 27381364 UAYQDIHWCXWNBS-PKOBYXMFSA-N 402.458 3.004 0 40 HGAB CN1C(=O)c2ccc(C(=O)N3CCN(Cc4csc5ccccc45)CC3)cc2C1=O 29980379 QRGIULQTHLATCJ-UHFFFAOYSA-N 419.506 3.085 0 40 HGAB CCc1c(C)sc2c1c1nc(-c3ccccc3)nn1c(=O)n2CC(=O)N1CCCC1 32070887 LIRJVQFNTDGDGP-UHFFFAOYSA-N 421.526 3.266 0 40 HGAB O=C(O)[C@H]1Sc2[nH]c(=O)sc2[C@@H](c2ccco2)[C@@H]1C(=O)c1ccc(F)cc1 32597843 VLJQADBFDVUVNF-ZOWXZIJZSA-N 405.428 3.358 0 40 HGAB O=C(CCCNC(=O)c1ccco1)Nc1nc2cc3c(cc2s1)OCCCO3 32719670 PGSPQZNFLGCLAQ-UHFFFAOYSA-N 401.444 3.199 0 40 HGAB COc1cc(=O)oc(/C=C/C=C/C=C/C(C)=C/[C@]2(C)O[C@H](C)[C@](C)(O)[C@@H]2O)c1C 38897473 JLSVDPQAIKFBTO-KVCYDUFJSA-N 402.487 3.318 0 40 HGAB biogenic,in-vitro COC(=O)c1cc(NC(=O)C2CCN(Cc3cccc(C)c3)CC2)cc(C(=O)OC)c1 39752383 APDWUDWWCMHKRS-UHFFFAOYSA-N 424.497 3.419 0 40 HGAB C[C@]1(c2cccc(NC(=O)COc3ccc(Cl)cc3Cl)c2)NC(=O)NC1=O 40110855 IOLFFJQMUIUFFU-GOSISDBHSA-N 408.241 3.066 0 40 HGAB COc1ccccc1-c1c2c(=O)n(Cc3ccccc3F)ccc2nc2ncnn12 40398203 ONAIECLGGAXMRN-UHFFFAOYSA-N 401.401 3.302 0 40 HGAB Cc1cc(N(CC(=O)Nc2ccccc2C)S(C)(=O)=O)ccc1Br 47080759 CXPUQSGYUGDKFG-UHFFFAOYSA-N 411.321 3.471 0 40 HGAB CCCOc1ccc(C(=O)Nc2cccc([C@@]3(C)NC(=O)NC3=O)c2)cc1OCC 47169058 LEMOIKCGNSGBEC-JOCHJYFZSA-N 411.458 3.181 0 40 HGAB O=C(CN1CCCN(CC2CCCCC2)CC1)NC[C@@H]1CCN(c2ccccc2)C1 54320978 ARQLMUUOTNADFV-QHCPKHFHSA-N 412.622 3.217 0 40 HGAB COc1ccc(CNC(=O)[C@H]2CC(=O)N(c3ccc(F)c(Cl)c3)C2)cc1OC 57416458 LNKUDDNMWOXDBR-ZDUSSCGKSA-N 406.841 3.166 0 40 HGAB CCOC(=O)[C@@H]1CCCN(C(=O)Cn2cccc2-c2nc(-c3ccc(C)cc3)no2)C1 57486853 NRKVFXKQHRDMPV-GOSISDBHSA-N 422.485 3.315 0 40 HGAB Cc1ccc(CNC(=O)Cn2cc(-c3ccc(C)cc3)c(N3CCOCC3)n2)cc1 62006892 DJOQFCBKRJFZDC-UHFFFAOYSA-N 404.514 3.320 0 40 HGAB CCCc1cc(N2CCC3(CC2)C[C@@H]3c2nc(-c3cccnc3)no2)n2ncnc2n1 69949827 ZZJGQQMHBLQMAC-QGZVFWFLSA-N 416.489 3.296 0 40 HGAB Cn1ccc2c(NC(=O)Cn3cc(OCc4ccccc4)c(=O)cc3CO)cccc21 71285067 XCFFDNHVASTGJQ-UHFFFAOYSA-N 417.465 3.050 0 40 HGAB CN1CC[C@@]2(CCC1=O)C[C@@H](NC(=O)c1ccc3c(c1)OCO3)c1ccccc1O2 72327753 VRPJOPBZRYVUOD-HXOBKFHXSA-N 408.454 3.050 0 40 HGAB Cc1cc2nc(C3CCN(C(=O)c4cn(C)nc4C)CC3)cc(C(F)(F)F)n2n1 72340817 SMEQJIKLTBCFPY-UHFFFAOYSA-N 406.412 3.118 0 40 HGAB COCCNC(=O)c1sc2ccccc2c1[C@@H]1CCN(C(=O)C(C)(C)OC)C1 72352351 WYQUBSDXOLBEEL-CQSZACIVSA-N 404.532 3.018 0 40 HGAB Cc1nc([C@@H]2CCCN2C(=O)CN(C)C)nc2c1CCCN2CCc1ccccc1 72373758 LIBOZDRXIPYAED-NRFANRHFSA-N 407.562 3.005 0 40 HGAB CC(=O)c1cccc(NC(=O)CNC(=O)N2CCN(c3ccc(Cl)cc3)CC2)c1 72401728 LPHPCJSXTZODDK-UHFFFAOYSA-N 414.893 3.013 0 40 HGAB Cc1nc2ccccc2n(CCCNS(=O)(=O)c2cccc3ccccc23)c1=O 95468722 GYHWNMHUIHBFIY-UHFFFAOYSA-N 407.495 3.227 0 40 HGAB O=C(NCc1ccc2c(c1)OCO2)N1CCC[C@@H](c2n[nH]c(-c3ccccc3)n2)C1 95993087 VGOTYXULMGCQAY-QGZVFWFLSA-N 405.458 3.290 0 40 HGAB CCS(=O)(=O)[C@@](Cl)(Br)[C@H](O)c1ccc(Br)cc1 96519819 GFXQIBCSXKGWKL-NXEZZACHSA-N 406.523 3.205 0 40 HGAB C[C@@H](C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1-2)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 101420109 DKXDHAXHWXDIGD-SVYLRGBCSA-N 412.445 3.032 0 40 HGAB N=C1C(c2nc(-c3ccccc3)cs2)=C(O)CN1c1ccc(S(N)(=O)=O)cc1 102720587 FKIUJDIGAKCLGF-UHFFFAOYSA-N 412.496 3.224 0 40 HGAB COC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccc(Br)cc1 113880479 XEDVVMADTAPFGY-UHFFFAOYSA-N 412.305 3.434 0 40 HGAB Cn1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(N2CCOCC2)cc1 209940643 MOKSOAIPDXZDHH-FGZHOGPDSA-N 419.554 3.434 0 40 HGAB COc1cc(CNC(=O)CCCN2C(=O)c3ccccc3C2=O)ccc1OC(C)C 219135465 ZLOFGOFHNZIEOF-UHFFFAOYSA-N 410.470 3.175 0 40 HGAB CCCNS(=O)(=O)c1cc(C(=O)Nc2ccc3sncc3c2)ccc1OC 222921383 OTNSSONWDOQDRY-UHFFFAOYSA-N 405.501 3.246 0 40 HGAB CN(C)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(O)cc1 223279882 WEAFRXZXXLMPLT-NHCUHLMSSA-N 407.543 3.112 0 40 HGAB COC(=O)c1cc(S(=O)(=O)Nc2ccc(C)c(N3CCCC3=O)c2)ccc1C 223824780 ULRBEJLECFIBFA-UHFFFAOYSA-N 402.472 3.018 0 40 HGAB COc1ccccc1[C@H](C)NC(=O)CCCN(c1ccccc1OC)S(C)(=O)=O 224598958 MHCMJWCGXSNWRM-INIZCTEOSA-N 420.531 3.127 0 40 HGAB CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N[C@@H](C)c1ccccc1OC 224772979 NVTJHYMQPRLEEI-KXBFYZLASA-N 420.531 3.126 0 40 HGAB Cc1cc(N2CCCC2)nc(NC(=S)NCC2(c3ccccc3)CCOCC2)n1 225994108 VINXQGLUVBWQLE-UHFFFAOYSA-N 411.575 3.420 0 40 HGAB CC(=O)c1cccc(S(=O)(=O)NC[C@](O)(c2ccsc2)c2cccs2)c1 238922624 UFIVMUYFJJRDDI-SFHVURJKSA-N 407.538 3.227 0 40 HGAB Cc1n[nH]c(C)c1CCC(=O)N1CCO[C@@H](c2ccc(Nc3ccccn3)cn2)C1 257210936 BWTXHDMXWGEWTK-HXUWFJFHSA-N 406.490 3.093 0 40 HGAB COc1ccc(NC(=O)CN2CC[C@H](Oc3ccccc3)[C@@](C)(O)C2)cc1Cl 257219231 DGCDVTAOLXUWKB-FPOVZHCZSA-N 404.894 3.191 0 40 HGAB Cc1ncc(C(=O)N(C)C)c([C@H]2CC[C@H](CNC(=O)c3cc(C4CC4)on3)CC2)n1 257259795 LABFURGVCIWZNY-KOMQPUFPSA-N 411.506 3.056 0 40 HGAB COc1ccc(NC(=O)CN2CCC(c3cncc(Nc4ccccn4)n3)CC2)cc1 257282884 OVRCPCJUMYBSRF-UHFFFAOYSA-N 418.501 3.442 0 40 HGAB Cc1cccc(CC(=O)N2CC[C@@H](c3nc(C)c(CC(=O)N4CCCC4)c(C)n3)C2)c1 257339705 ZCVQLJUTLYTABA-OAQYLSRUSA-N 420.557 3.125 0 40 HGAB CNc1cc([C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H]2CCCN2)nc(C2CC2)n1 257343037 ZRFGVPVQNXNKHL-MOPGFXCFSA-N 404.518 3.029 0 40 HGAB Cc1nc(C(=O)N2C[C@@H]3c4cc(-c5ccoc5)ccc4S(=O)(=O)[C@@H]3C2)cs1 306137473 QXIICGRVVMZTBS-CRAIPNDOSA-N 400.481 3.107 0 40 HGAB COC(=O)c1ccc(-c2ccc([C@H]3NC(=S)NC(C)=C3C(=O)OC(C)C)o2)cc1 408606114 OEHKEQJDTPVIRY-GOSISDBHSA-N 414.483 3.478 0 40 HGAB C[C@@H]1CC[C@@H]2C(=O)N(c3cccc(C(=O)OCC(=O)Nc4ccccc4)c3)C(=O)[C@H]2C1 408653633 ABCYZMGULGDHDE-XPGWFJOJSA-N 420.465 3.408 0 40 HGAB COC(=O)c1ccccc1NC(=O)CCCN(c1cccc(Cl)c1)S(C)(=O)=O 408679760 KWQJPEVUOCWWCL-UHFFFAOYSA-N 424.906 3.312 0 40 HGAB CN(Cc1ccccc1)C(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O 408924697 LPFIVULYZOXILJ-UHFFFAOYSA-N 401.315 3.418 0 40 HGAB O=C(N[C@H]1CCN(c2ccccn2)C1)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O 511158038 UDYJCMLEMZBYBB-KRWDZBQOSA-N 418.497 3.019 0 40 HGAB COC(=O)c1ccnc(NC(=O)CCc2c(C)nc3c4ccccc4nn3c2C)c1 511795079 SEKZJBIHIDOMQL-UHFFFAOYSA-N 403.442 3.252 0 40 HGAB O=C1[C@H](NC(=O)C2(c3ccc(F)cc3)CCOCC2)CCN1c1ccccc1Cl 520321552 ZJMJHSUMOAALAO-GOSISDBHSA-N 416.880 3.449 0 40 HGAB O=C(CNS(=O)(=O)c1ccc(Cl)cc1)Nc1cccc(Oc2ccncc2)c1 584500725 URJLGPGOUYRSHR-UHFFFAOYSA-N 417.874 3.444 0 40 HGAB CCCN1CCN(C(=O)CCN)C[C@@H](Cc2ccc(-c3ccccc3F)cc2)C1=O 585183648 YWNWDCFXDPUFAV-HXUWFJFHSA-N 411.521 3.081 0 40 HGAB Cc1ccc(Cl)c(OC[C@]2(O)CCCN(CC(=O)NCc3cccc(F)c3)C2)c1 585271635 BDUYHEKKRVVDTJ-QFIPXVFZSA-N 420.912 3.310 0 40 HGAB CCCC(CCC)N1CCN(C(=O)COC)C[C@](O)(COc2ccc(C)c(C)c2)C1 585282649 MCSUXYOXIAIELZ-DEOSSOPVSA-N 420.594 3.173 0 40 HGAB COc1ccc([C@H]2CCCN2C(=O)CC2(Cn3cnnn3)CCCCC2)c(OC)c1 604419592 GNLKQZDPBYMFON-LJQANCHMSA-N 413.522 3.395 0 40 HGAB Cc1ccc(S(=O)(=O)N2CC[C@H](Oc3ccncc3Br)C2)s1 1776001811 MNTLOTWSKQMHDV-NSHDSACASA-N 403.323 3.056 0 40 HGAB CN(C1=NS(=O)(=O)c2ccccc21)C1CCN(Cc2cc(F)cc(F)c2)CC1 1888922148 XLUVICRVJDZXQN-UHFFFAOYSA-N 405.470 3.010 0 40 HGAB O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)NCC(=O)NC1CCCCC1 60213486 SXPFIWLIBZCMPB-NRFANRHFSA-N 407.514 3.113 0 40 HGAB Cn1nc(C(=O)N(C[C@@H]2CCCO2)c2nc3ccccc3s2)c2ccccc2c1=O 2625641 MHCISEJBRUWONZ-AWEZNQCLSA-N 420.494 3.369 0 40 HGAB Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)N2CC(=O)Nc3ccccc32)cc1 32820379 IUSQCDJWHRMZMI-UHFFFAOYSA-N 410.433 3.293 0 40 HGAB COCCN1C(=O)c2oc3cc(C)c(C)cc3c(=O)c2[C@H]1c1ccc(C(=O)OC)cc1 2703628 NMNSWDANMPNGGO-HXUWFJFHSA-N 421.449 3.388 0 40 HGAB CCc1cccc(CC)c1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2cccc(OC)c2)C1 7940150 JVUPKWWGPYKNGA-GOSISDBHSA-N 424.497 3.355 0 40 HGAB CCCCO[C@@H](C)C(=O)Nc1ccc(OCC)c(S(=O)(=O)N(CC)CC)c1 57991488 DOTPYRDFVUXOND-HNNXBMFYSA-N 400.541 3.260 0 40 HGAB Cc1nc(Nc2nc3ccccc3o2)ncc1C(=O)NCc1ccc2c(c1)OCO2 10157581 WQGKMPIMCTUPSR-UHFFFAOYSA-N 403.398 3.329 0 40 HGAB CCOC(=O)[C@@H]1CCCN(C(=O)COc2ccccc2C(=O)Nc2ccccc2)C1 21942135 TUXKVMFIRJULAA-QGZVFWFLSA-N 410.470 3.119 0 40 HGAB Cc1ccc(C)n1NC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)cc1 8475602 QBIMHBYHNNHGOW-IBGZPJMESA-N 416.481 3.480 0 40 HGAB Cc1nc(-c2c(Cl)cccc2Cl)sc1C(=O)N[C@H]1CCS(=O)(=O)C1 12391542 BCCRHXGQMLZQOX-VIFPVBQESA-N 405.328 3.342 0 40 HGAB O=C(O)[C@H]1CCCC[C@H]1C(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 794191 QYTZXQYIXFMOCW-MSOLQXFVSA-N 408.520 3.081 0 40 HGAB Cc1ccc(NC(=O)CN2N=N[C@@H]3C(=O)N(c4ccc(C(C)C)cc4)C(=O)[C@@H]32)cc1C 101168411 GUUNSHSFGBFERA-LEWJYISDSA-N 419.485 3.359 0 40 HGAB Nc1c(C(=O)OCC(=O)NCCc2c(F)cccc2F)ccc(Cl)c1Cl 61722891 VZHMFGHPERXPFK-UHFFFAOYSA-N 403.212 3.370 0 40 HGAB O=S(=O)(N[C@@H](CN1CCOCC1)c1ccccc1)c1cc(Cl)cc(Cl)c1 24193287 PYDDNIWCPKKOEO-SFHVURJKSA-N 415.342 3.345 0 40 HGAB CCCS(=O)(=O)N1CCC[C@H](C(=O)N[C@H](C)c2cccc(Br)c2)C1 109030828 CSLNQBBMTSRXED-HIFRSBDPSA-N 417.369 3.078 0 40 HGAB CCC(=O)Nc1cccc(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)c1C 12536281 IWZBEIARAFBOSQ-UHFFFAOYSA-N 401.488 3.271 0 40 HGAB COc1ccc(Cn2nnnc2[C@@H](C(C)C)N2CCN(Cc3ccccc3)CC2)cc1 20141350 ZMOFLSJRAVQKCW-HSZRJFAPSA-N 420.561 3.245 0 40 HGAB Cc1ccc(OCC(=O)NC(=S)Nc2ccc(CN3CCOCC3)cc2)c(C)c1 22438136 DOIZXSINJRXBFW-UHFFFAOYSA-N 413.543 3.028 0 40 HGAB CC(C)CCn1nc(C(=O)OCC(=O)N[C@H](C)c2ccccc2)c2ccccc2c1=O 3279986 AYMGRERSQUQXHQ-QGZVFWFLSA-N 421.497 3.477 0 40 HGAB COc1ccc(-c2nnc(O)c3c2[C@@H](c2ccccc2Cl)n2nnnc2N3)cc1 10295308 AQVRSWBGWDCYNW-QGZVFWFLSA-N 407.821 3.192 0 40 HGAB COc1ccc(OC)c(NC(=O)c2cccc(N3C(=O)[C@@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)c2)c1 104560421 OCSUKFUSOVNQLR-BMHXQBNDSA-N 418.449 3.268 0 40 HGAB O=C(NCCc1nccn1C(F)F)c1cc(-c2ccc(Br)cc2)n[nH]1 58264809 MCOSVGCQJLENIH-UHFFFAOYSA-N 410.222 3.403 0 40 HGAB COc1cn(-c2ccccc2)nc1C(=O)OCc1nc(N)c2c(C)c(C)sc2n1 10536403 SPZOHKIUBBUOBQ-UHFFFAOYSA-N 409.471 3.442 0 40 HGAB Cc1n[nH]c(=O)c2c(NC(=O)CN(C)Cc3ccc(C(F)(F)F)cc3)oc(C)c12 11293707 ANVWXRBYIRWBPF-UHFFFAOYSA-N 408.380 3.222 0 40 HGAB CC[C@@H]1c2ccsc2CCN1C(=O)NCC[C@@](O)(c1nccn1C)C(F)(F)F 45716784 HYZFJKVQECPORV-CXAGYDPISA-N 416.469 3.341 0 40 HGAB O=S(=O)(NCc1ccccc1CN1CCOCC1)c1cc(Cl)cc(Cl)c1 12856963 KQRNUHFCEIZZSA-UHFFFAOYSA-N 415.342 3.304 0 40 HGAB O=C(Cc1csc(NC(=O)c2ccccc2)n1)N[C@H]1CCN(Cc2ccccc2)C1 12909075 CGVWRZIYFQLRCT-IBGZPJMESA-N 420.538 3.329 0 40 HGAB CN1C(=O)[C@@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@@H]1Cc1c[nH]c2ccccc12 13430457 JPJWIBDSDYBOPN-SZPZYZBQSA-N 400.482 3.102 0 40 HGAB CN1CCN(C(=O)Cc2ccccc2)C[C@@H]1c1ncn2cc(-c3cccnc3)ccc12 306128109 GQEPJDYTICSNOV-HSZRJFAPSA-N 411.509 3.454 0 40 HGAB CCOC(=O)c1c(NC(=O)COC(=O)c2[nH]c(C)c(C(C)=O)c2C)sc(C)c1C 6084413 CQTLCKCYSRGKKE-UHFFFAOYSA-N 420.487 3.485 0 40 HGAB CC1CCC2(CC1)NC(=O)N(CC(=O)NCCSCc1ccc(Cl)cc1)C2=O 6549479 HXPOJJVCRNRUQV-UHFFFAOYSA-N 423.966 3.190 0 40 HGAB CN(C)c1nc(N)nc(COC(=O)CCN2c3ccccc3Sc3ccccc32)n1 21976784 VPYICKDQGREGLQ-UHFFFAOYSA-N 422.514 3.256 0 40 HGAB CC(C)CNC(=O)NC(=O)COC(=O)CSCc1ccc(Cl)c(Cl)c1 4799959 MIYKDZXIPOIXEG-UHFFFAOYSA-N 407.319 3.252 0 40 HGAB COc1ccc([C@@H]2Nn3c(nnc3-c3ccccc3)S[C@@H]2C(=O)N2CCCC2)cc1 6721061 KAWKQZWZZDWTHL-OALUTQOASA-N 421.526 3.335 0 40 HGAB Cc1ccc(NC(=O)CCCNS(=O)(=O)c2cccc3nsnc23)cc1C 19077741 FHASMADJSDUKGB-UHFFFAOYSA-N 404.517 3.005 0 40 HGAB O=C1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1cc2c(F)cc(Br)cc2[nH]1 96011746 YBFNBJMFEZLPBP-BZNIZROVSA-N 409.255 3.280 0 40 HGAB O=C(Nc1ccc2c(c1)OCO2)[C@H]1Sc2nnc(C3CC3)n2N=C1c1ccccc1 8924589 DNGDQLZJKBMIIU-SFHVURJKSA-N 419.466 3.250 0 40 HGAB O=C(NC[C@H]1COc2ccccc2O1)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 7058351 CCVAXZSBHZGVNK-AEFFLSMTSA-N 414.889 3.148 0 40 HGAB O=C(Cn1c(=O)cc(-c2nc(-c3ccncc3)no2)c2ccccc21)N1CCCCC1 67318187 PUZHUNPOFZIBHE-UHFFFAOYSA-N 415.453 3.126 0 40 HGAB COc1ccc2c(c1OC)C(=O)O[C@H]2N1C(=O)CC[C@H]1C(=O)Nc1ccc(C)c(C)c1 9033940 SFOCOTSCDYWLAO-KSFYIVLOSA-N 424.453 3.119 0 40 HGAB biogenic Cc1ccccc1-n1nnnc1SCC(=O)N(C)Cc1nc2ccccc2s1 7587617 SOOCDOOFTRHBID-UHFFFAOYSA-N 410.528 3.331 0 40 HGAB O=C(c1ccc2ccccc2c1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 7524088 KTESARPNNNQZLL-UHFFFAOYSA-N 420.534 3.475 0 40 HGAB Cc1ccc(C(=O)[C@@H](C)OC(=O)CCNS(=O)(=O)c2ccc(Cl)cc2)cc1C 9012354 BELZIGFHPHSAKQ-OAHLLOKOSA-N 423.918 3.440 0 40 HGAB COc1ccc(C2=NO[C@@H]3C(=O)N(c4cccc(C(F)(F)F)c4)C(=O)[C@@H]23)cc1OC 16010384 FIZFELCGKLUBJV-RDJZCZTQSA-N 420.343 3.015 0 40 HGAB CC(=O)c1cc2c(cc1NC(=O)CN(Cc1cccs1)C[C@H]1CCCO1)OCO2 7927452 ZJYWWMQZOHGZRQ-OAHLLOKOSA-N 416.499 3.299 0 40 HGAB CCN(Cc1ccccc1)C(=O)CSc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 9377788 XKDUPZOKDBCPRT-UHFFFAOYSA-N 419.510 3.250 0 40 HGAB CCOc1ccc(NC(=O)Cn2nnc(C(=O)Nc3cccc(C)c3C)c2C)cc1 71327398 JALZOVRQBUPIIW-UHFFFAOYSA-N 407.474 3.493 0 40 HGAB NC(=O)[C@H]1CCCN(C(=O)/C=C/c2cn(Cc3ccccc3)nc2-c2cccs2)C1 8156174 MFDFOGWUAABJIE-VYENPZKTSA-N 420.538 3.397 0 40 HGAB CCOc1ccc([C@H]2c3c(oc4c(C)cc(C)cc4c3=O)C(=O)N2CCO)cc1OC 16751341 VACGPJOUBKFLKK-FQEVSTJZSA-N 423.465 3.355 0 40 HGAB COc1ccc(C(=O)N[C@@H](C)c2cccs2)cc1S(=O)(=O)NC1CCCC1 9613775 QHLSRBOZRXHKOL-ZDUSSCGKSA-N 408.545 3.469 0 40 HGAB COc1ccc(CN(c2cnn(C)c2)S(=O)(=O)c2cc(F)ccc2C)c(OC)c1 78967267 CDUUJGATQISDBS-UHFFFAOYSA-N 419.478 3.280 0 40 HGAB COc1ccc(Cl)cc1N1CC[C@H](NC(=O)c2cccc(N3CCCC3=O)c2)C1 95397012 YDONCERFINMPSO-KRWDZBQOSA-N 413.905 3.484 0 40 HGAB Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1[C@@H](NC(=O)c1ncoc1C)C(=O)O 95463939 BMJXVEYOVQGMGD-MRXNPFEDSA-N 422.363 3.360 0 40 HGAB Cc1ccc(-c2noc(CCC(=O)N3CCC[C@@H]3C(=O)OC(C)(C)C)n2)cc1F 79016098 IZNQCDFGPZDMMR-MRXNPFEDSA-N 403.454 3.449 0 40 HGAB CCn1c(=O)n(CC(=O)N[C@@H](C)c2ccc(-n3ccnc3C)cc2)c2ccccc21 79026691 XVIRGQLABYFXRQ-INIZCTEOSA-N 403.486 3.194 0 40 HGAB CCOC(=O)c1ccc(S(=O)(=O)Nc2cccc(Nc3cnn(C)c3)c2)cc1 79105820 HMEQZHANKQRGSN-UHFFFAOYSA-N 400.460 3.141 0 40 HGAB O=C(CCCc1nc2ccccc2c(=O)[nH]1)OCC1CCN(Cc2ccco2)CC1 89866498 GNDFDMDRFKNIDX-UHFFFAOYSA-N 409.486 3.294 0 40 HGAB Cc1nc(C(=O)N2CCO[C@H](c3cn4c(-c5ccncc5)cccc4n3)C2)cs1 306136012 PGLIECVGSJMAEL-IBGZPJMESA-N 405.483 3.375 0 40 HGAB C[C@]1(c2cccc(-c3noc([C@@H]4C[C@]45CCc4ccccc45)n3)c2)NC(=O)NC1=O 544346546 UXZVJEUKXHXOGT-IMRHEYAYSA-N 400.438 3.163 0 40 HGAB COc1cc(/C=c2/sc3nc4c(C)cc(C)cc4n3c2=O)cc(OC)c1OC(C)=O 408976476 RMBFGGNNCMLUKV-VCHYOVAHSA-N 424.478 3.016 0 40 HGAB O=S1(=O)c2ccc(-c3ccncc3)cc2[C@@H]2CN(Cc3ccc4c(c3)OCO4)C[C@@H]21 306140222 UNHUNLMPYNPRES-CVDCTZTESA-N 420.490 3.233 0 40 HGAB O=S(=O)(c1ccccc1)N1CCN(Cc2nc(-c3cccs3)cs2)CC1 22605874 WFOLCBZZVSGLHL-UHFFFAOYSA-N 405.570 3.378 0 40 HGAB CC(C)CN1CC[C@H](NC(=O)NCc2ccccc2)c2ccccc2S1(=O)=O 306141438 VWEPBWXHHYBDRB-IBGZPJMESA-N 401.532 3.278 0 40 HGAB CC(=O)N1CCOc2cc(S(=O)(=O)N3CCC[C@@H]3c3cccc(C)c3)ccc21 36620345 GVPLFWNUKYRATD-LJQANCHMSA-N 400.500 3.266 0 40 HGAB CN(C(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1)C1CCCC1 30865922 ZVJPISYGISWJRF-FQEVSTJZSA-N 400.500 3.044 0 40 HGAB COC[C@H](C)NC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(Cl)cc1 408630926 YDZMEWQBFXHYBN-INIZCTEOSA-N 424.950 3.303 0 40 HGAB Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3ccccc3)[C@@]2(CN)NC(=O)OC(C)(C)C)cc1 218048383 FDKSSCHDQAEKOZ-WOIUINJBSA-N 416.543 3.157 0 40 HGAB COc1ccc(OC)c(NC(=O)[C@@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)c1 409381424 MDFSBNHEZHFBFD-GFCCVEGCSA-N 412.895 3.150 0 40 HGAB CC(C)[C@@H](NC(=O)NCc1cccnc1-n1ccnc1)c1ccc2c(c1)OCCO2 32803405 ODDRCMQIXJYFRX-HXUWFJFHSA-N 407.474 3.235 0 40 HGAB O=C(CSc1nnc(NC(=O)c2c(F)cccc2F)s1)Nc1nccs1 35310835 XIDOGAGXJKKILT-UHFFFAOYSA-N 413.456 3.256 0 40 HGAB COc1ccccc1-c1cccc([C@@H]2CCCN(S(=O)(=O)c3cn(C)cn3)C2)n1 72350317 WAEXOMJLSNPOAU-MRXNPFEDSA-N 412.515 3.059 0 40 HGAB COc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC(=O)[C@H]1CC[C@@H](Cn2cnnn2)CC1 1565534610 LGNWJJKOMKEOFG-MDOVXXIYSA-N 408.506 3.163 0 40 HGAB CCn1nccc1CN(C)C(=O)c1cc(-c2ccc(OC)cc2)nc2c1cnn2C 36613269 HLUNUCJYNUFMQU-UHFFFAOYSA-N 404.474 3.133 0 40 HGAB Cc1cccc(C(=O)N2CCCN(c3cc(-c4ccc5c(c4)OCO5)n[nH]3)CC2)c1 62007404 VPDKHEKWQZEPNN-UHFFFAOYSA-N 404.470 3.466 0 40 HGAB O=C([C@H]1CN(Cc2cc(F)cc3cccnc23)c2ccccc2O1)N1CCOCC1 40086045 XZSYARDTFQMEKD-OAQYLSRUSA-N 407.445 3.000 0 40 HGAB COC(=O)c1ccc(NC(=O)[C@@H](C)N(c2ccc(C)c(Cl)c2)S(C)(=O)=O)cc1 220355729 PLBSJGLTSLOVFU-CYBMUJFWSA-N 424.906 3.228 0 40 HGAB COc1ccc(C(=O)NC(C)(C)C)cc1CN(c1ccc(F)cc1)S(C)(=O)=O 224755014 JTSMJLCKUFECRC-UHFFFAOYSA-N 408.495 3.329 0 40 HGAB CCNC(=O)c1cc(S(=O)(=O)NCc2cc(CC)ccc2CC)ccc1OC 225814843 HYZABWRLQMRPDS-UHFFFAOYSA-N 404.532 3.048 0 40 HGAB COc1ccc(-c2nn(CCCC(=O)N3C[C@@H](C)C[C@@H](C)C3)c(=O)cc2OC)cc1 96100905 GYWKVTNEYPMLLG-CALCHBBNSA-N 413.518 3.212 0 40 HGAB CN1CC(=O)N(c2ccsc2)C[C@@]12CCN(C(=O)c1ccc(C(F)(F)F)cc1)C2 96238146 VSUUJVSOTXAUKA-IBGZPJMESA-N 423.460 3.330 0 40 HGAB CN(C)CCCNC(=O)c1cc(-c2cnc(-c3cccnc3)nc2)cn1CC1CC1 96037789 JQNKJDOMAVRVFR-UHFFFAOYSA-N 404.518 3.099 0 40 HGAB O=C(NCc1ccncc1)[C@@H]1C[C@@]2(CO1)c1ccccc1CN2C(=O)c1ccccc1 96262477 CKFDUXHTIMYTJO-WIOPSUGQSA-N 413.477 3.038 0 40 HGAB COCCNC(=O)c1sc2ccccc2c1[C@H]1CC[C@H](CNC(=O)COC)CC1 257302492 SDDJIWDMDUXMBW-WKILWMFISA-N 418.559 3.314 0 40 HGAB CCOC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(Cl)c(CN(C)CCO)c2)c1C 619866816 ARLMXZYLLYKMKL-UHFFFAOYSA-N 407.898 3.138 0 40 HGAB FC(F)(F)c1nnc2ccc(N3CCN(c4nc5ccccc5s4)CC3)nn12 301057481 ALCWGQDQFDSIJN-UHFFFAOYSA-N 405.409 3.079 0 40 HGAB CCOc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccccc4OC)ccn3n2)cc1 12414472 XKPYXOVUDOYJCT-UHFFFAOYSA-N 418.453 3.209 0 40 HGAB CC(=O)Nc1cc(NC(C)=O)cc(C(=O)O[C@@H](C(=O)N2CCCC2)c2ccccc2)c1 14236587 YMDRYKGCAUVUJO-OAQYLSRUSA-N 423.469 3.124 0 40 HGAB O=C(c1ccc(OCc2cscn2)cc1)N1CCN(C(=O)N2CCCCC2)CC1 14900388 QUKCFHYXWRFKGY-UHFFFAOYSA-N 414.531 3.086 0 40 HGAB COc1ccc(CNC(=O)c2cc([C@H]3CCCN(Cc4ccccn4)C3)no2)cc1 19555854 IZWYMLBUTMGGDL-SFHVURJKSA-N 406.486 3.388 0 40 HGAB COc1ccc(CCNc2ncc(-c3cnccn3)c([C@@H]3CCCO3)n2)cc1OC 19560661 XEZODQRRZLXIOF-IBGZPJMESA-N 407.474 3.457 0 40 HGAB CCn1nccc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(OC)c2)CC1 19746991 WQXYDPCKXIXYCK-OAQYLSRUSA-N 424.545 3.459 0 40 HGAB CC[C@H](C)C(=O)O[C@H]1CCC=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(=O)O)[C@H]21 4134477 BOZILQFLQYBIIY-INTXDZFKSA-N 408.535 3.470 0 40 HGAB biogenic,in-vivo CC1(C)Cc2nc(-c3ccncc3)ncc2[C@@H](NC(=O)C[C@H]2CC(C)(C)OC2=O)C1 12221162 ZPHJXZPTTLSIJH-RDJZCZTQSA-N 408.502 3.400 0 40 HGAB Cc1cc(N2CCN(c3ncc(C(F)(F)F)cc3F)CC2)nc(N2CCCC2)n1 1889128466 AXMIPXMJLMFOFC-UHFFFAOYSA-N 410.419 3.265 0 40 HGAB CCCN1CCN(CC(=O)NC)C[C@H](Cc2ccccc2-c2ccc(C)cc2)C1=O 1848354113 GZHHDGGLAKIHGQ-QFIPXVFZSA-N 407.558 3.121 0 40 HGAB CC1(C)O[C@@H]2O[C@H](C(=O)Oc3cccc4ccccc34)[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O1 245026715 NHZBMHKKEJZBSF-QTVCLEQKSA-N 400.427 3.142 0 40 HGAB biogenic C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3ccc4c(c3)OCO4)cc2)C1 3517716 AOHFJCUWZDLLFB-HUUCEWRRSA-N 416.499 3.334 0 40 HGAB COc1ccc(CCNC(=O)C2CCN(CC(=O)Nc3ccc(C)cc3)CC2)cc1 9069095 WFBWEFDGYUYKAL-UHFFFAOYSA-N 409.530 3.013 0 40 HGAB CCCC(CCC)C(=O)NCCn1ncc2c(=O)n(Cc3ccccc3C)cnc21 12072073 UVDFNKWMRDIFGC-UHFFFAOYSA-N 409.534 3.282 0 40 HGAB COc1ccc(N(C[C@H](O)CNCCC(C)C)S(=O)(=O)c2ccc(C)cc2)cc1 16839622 UXDGQBOWBKLKKA-HXUWFJFHSA-N 420.575 3.196 0 40 HGAB CCN1CCN([C@@H](c2ccccc2)c2sc3nc(-c4ccco4)nn3c2O)CC1 22577351 NCZPAWOJEDZLSZ-KRWDZBQOSA-N 409.515 3.483 0 40 HGAB O=C(NC[C@@H](O)c1ccc(C(F)(F)F)cc1)c1ccccc1S(=O)(=O)C(F)F 206713070 LQASMMOASMYVQZ-CYBMUJFWSA-N 423.359 3.165 0 40 HGAB O=C(Cn1c(=O)oc2ccccc21)N1CCS[C@H](c2ccc3c(c2)OCO3)CC1 219209321 IUEJUTYAGUWBQG-IBGZPJMESA-N 412.467 3.030 0 40 HGAB Cc1noc(-c2ccn3c(CNC(=O)Nc4ccc(C(F)(F)F)cc4)nnc3c2)n1 225745705 QAPAMIZOEWNDTJ-UHFFFAOYSA-N 417.351 3.428 0 40 HGAB CN(C)[C@@H](CNC(=O)[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1)c1cccs1 40119999 NHVYILMJRIJWMW-MJGOQNOKSA-N 417.550 3.087 0 40 HGAB O=C(CCCN1C(=O)CCC1=O)Nc1ccnn1Cc1cccc(Cl)c1Cl 40115030 DYGXAEXUXUOQHU-UHFFFAOYSA-N 409.273 3.106 0 40 HGAB CCCCNC(=O)[C@H]1CCCN(C(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)C)C1 50764820 VSOXEHANDYTTQV-PMACEKPBSA-N 417.550 3.092 0 40 HGAB O=C(COC(=O)c1cccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)c1)c1ccccc1 100743205 GFAYBRPCWVTBHP-LRGYGIHKSA-N 401.418 3.038 0 40 HGAB C[C@@H](OCC(F)(F)F)C(=O)Nc1cccc(S(=O)(=O)N(C)c2ccccc2)c1 31679080 FFKUESDCKSFBRX-CYBMUJFWSA-N 416.421 3.418 0 40 HGAB Cc1nn(-c2ncnc3[nH]cnc23)c2c1[C@H](c1ccccc1Cl)SCC(=O)N2 31808022 NLLIQCLLPMUIRA-HNNXBMFYSA-N 411.878 3.275 0 40 HGAB O=C(Nc1ccc(C(=O)NCC2(N3CCOCC3)CCCCC2)s1)c1ccco1 32195249 GOIFXOAIYJLTHK-UHFFFAOYSA-N 417.531 3.358 0 40 HGAB CCNC(=S)N(Cc1ccc2c(c1)OCO2)Cc1cc2cccc(C)c2[nH]c1=O 875138 HEAQDDZFNNJRPN-UHFFFAOYSA-N 409.511 3.462 0 40 HGAB CCOC(=O)COc1ccc(/C=C2/C(=O)N(C3CCCCC3)C(=S)N2C)cc1 1103031 OQVWCCPBCDMYEK-AQTBWJFISA-N 402.516 3.361 0 40 HGAB C[C@@H](OC(=O)CNC(=O)c1ccc(Cl)cc1Cl)C(=O)Nc1ccc(F)cc1 1931363 CTHOQPUBKKXTRS-SNVBAGLBSA-N 413.232 3.433 0 40 HGAB CC(C)C(=O)NC(=S)Nc1ccc2nc(NC(=S)NC(=O)C(C)C)sc2c1 2437763 FMIRMWHUSALZTQ-UHFFFAOYSA-N 423.589 3.234 0 40 HGAB CN(c1ccc(OCC(=O)N2CCCC2)cc1)S(=O)(=O)c1ccc(Cl)cc1 3215102 PJBNDAOTEJISMX-UHFFFAOYSA-N 408.907 3.166 0 40 HGAB O=C1C[C@@H](n2nc(COc3ccccc3)n(-c3ccccc3)c2=S)[C@@H]2CO[C@H]1O2 4117369 FBIOLMDPKYLULT-KPFFTGBYSA-N 409.467 3.238 0 40 HGAB CCOc1ccc(-n2cc3c(c2-c2ccc(OC)cc2)c(=O)n(C)c(=O)n3C)cc1 5151774 RZASZDBHTGHGAZ-UHFFFAOYSA-N 405.454 3.102 0 40 HGAB CC(C)Oc1c(Br)cc(Br)cc1/C=C1\NC(=O)NC1=O 5284781 ONDISCLCTZROAN-WMZJFQQLSA-N 404.058 3.179 0 40 HGAB O=C(Nc1ccsc1)O[C@@H]1CO[C@@H]2[C@@H](Nc3nccc(-c4ccccc4)n3)CO[C@H]12 5433652 SPZUQWFJDNDJCE-WJFTUGDTSA-N 424.482 3.401 0 40 HGAB biogenic,in-vitro CC(C)c1ccc(OCC(=O)NC(=S)Nc2sc3c(c2C(N)=O)CCC3)cc1 6263211 FBYPEBWBSMOMEZ-UHFFFAOYSA-N 417.556 3.351 0 40 HGAB Cn1c(SCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)nnc1-c1ccc(Cl)cc1 6510403 LXGXXXZWRFSABY-UHFFFAOYSA-N 414.878 3.036 0 40 HGAB O=C(OCc1cc(Cl)cc2c1OCOC2)c1ccc2c(=O)n3c(nc2c1)CCC3 6580820 OFMVBDYQDRZKGA-UHFFFAOYSA-N 412.829 3.220 0 40 HGAB COc1ccc(NC(=O)CN(C)Cc2ccc(OC)c(OC)c2OC)cc1Cl 6607124 JPJADYOIVOCWKS-UHFFFAOYSA-N 408.882 3.445 0 40 HGAB O=C(CN1CCC(Cc2ccccc2)CC1)NC(=O)Nc1ccc2c(c1)OCCO2 6653334 ASYFZJKDHBJQKF-UHFFFAOYSA-N 409.486 3.061 0 40 HGAB Cc1cccc(C)c1NC(=O)Cn1c(=O)n(Cc2ccco2)c(=O)c2sccc21 6678802 GQMKZIYLUNVBHQ-UHFFFAOYSA-N 409.467 3.122 0 40 HGAB C[C@H]1CCc2c(sc(NC(=O)CCn3c(=O)sc4ccccc43)c2C(N)=O)C1 6758065 GODJHUUBJPGVOC-NSHDSACASA-N 415.540 3.377 0 40 HGAB CCCOc1ccccc1C(=O)N(Cc1ccccc1F)[C@H]1CCS(=O)(=O)C1 6811093 LVLIORQTCBZAMN-KRWDZBQOSA-N 405.491 3.444 0 40 HGAB O=C(Nc1ccc(F)cc1F)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 7669768 ZHRHRMSFFHWSJW-MRXNPFEDSA-N 400.834 3.410 0 40 HGAB O=c1ccc(-c2ccccc2F)c2n1C[C@H]1C[C@@H]2CN(S(=O)(=O)c2ccccc2)C1 8300304 JTFNPWYWRFRWOK-DLBZAZTESA-N 424.497 3.462 0 40 HGAB biogenic,in-vitro C[C@@H]1Cc2ccccc2N1C(=O)CSc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 8489373 MMNGDRADRMAUFO-CQSZACIVSA-N 417.494 3.179 0 40 HGAB O=C1COc2ccc(C(=O)COC(=O)c3csc(-c4ccsc4)n3)cc2N1 8544600 JPHAADJAKRSHBK-UHFFFAOYSA-N 400.437 3.242 0 40 HGAB CCC(=O)N1N=C(c2cccc(NS(C)(=O)=O)c2)C[C@H]1c1ccc2nccnc2c1 8992962 AOYSATGDUKDGRX-FQEVSTJZSA-N 423.498 3.089 0 40 HGAB COc1ccc(NC(=O)Cn2ccn3nc(-c4ccccc4)cc3c2=O)cc1Cl 9320996 FWHCKBLPCRUKET-UHFFFAOYSA-N 408.845 3.464 0 40 HGAB O=C(c1ccccc1OC(F)F)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 9390512 PWSWCQACAWPKBJ-XNTDXEJSSA-N 422.453 3.047 0 40 HGAB Cc1ccccc1NC(=O)CSc1nnc(-c2cc(-c3ccc(F)cc3)n[nH]2)n1N 9541942 NFWDJXSAXLMKQR-UHFFFAOYSA-N 423.477 3.227 0 40 HGAB CCCn1c(=O)[nH]c(=O)c2c1nc(-c1ccc(-c3ccccc3)cc1)n2CCOC 9740616 QASUQMBEVHIFCL-UHFFFAOYSA-N 404.470 3.277 0 40 HGAB COc1ccc(C(=O)Nc2cc(-c3nn4cnnc4s3)ccc2OC)c(OC)c1 10119853 TWFBVMIEMBHAQM-UHFFFAOYSA-N 411.443 3.131 0 40 HGAB O=S(=O)(NCc1ccccc1OC(F)(F)F)c1ccc2c(c1)OCCCO2 10757442 RVVODVPEUWFQMS-UHFFFAOYSA-N 403.378 3.225 0 40 HGAB COc1ccccc1CNC(=O)CSc1ccc(NC(=O)c2ccccc2)nn1 11737855 KOBKGNJGJBMJKG-UHFFFAOYSA-N 408.483 3.146 0 40 HGAB COc1ncc([C@]2(O)CCC[C@H]3CN(Cc4ccc(Cl)cc4)C[C@@H]32)c(OC)n1 12233355 SEWGQILUYUHYJF-UQASEVPWSA-N 403.910 3.267 0 40 HGAB CCOc1ccc2nc(SCC(=O)NCC(=O)Nc3ccc(F)c(F)c3)[nH]c2c1 12559699 QLBDEKDPENRXDQ-UHFFFAOYSA-N 420.441 3.087 0 40 HGAB Cc1ccc(C)c(NC(=O)Cn2nc(C)c(S(=O)(=O)N3CCC(C)CC3)c2C)c1 12783766 GLLCYZFXQSINGO-UHFFFAOYSA-N 418.563 3.176 0 40 HGAB COc1ccc2cc([C@@H](C)C(=O)NCc3ccc(CS(N)(=O)=O)cc3)ccc2c1 12909397 QMFJEADGMWUYRJ-OAHLLOKOSA-N 412.511 3.057 0 40 HGAB COc1ccc([C@@H]2CCCN2C(=O)Cn2cnc3c(C)cccc3c2=O)c(OC)c1 12931400 ANBINQYWAIXQOJ-IBGZPJMESA-N 407.470 3.086 0 40 HGAB O=C(NC1CCCCC1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)s1 12999971 DCOSDCSDZFPWPV-LBPRGKRZSA-N 421.382 3.113 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)[C@H](C)Oc2ccccc2OC)cc1 14006529 ORKRJUNJHGRLIE-HNNXBMFYSA-N 406.504 3.132 0 40 HGAB Cc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)NCCCCOc1ccccc1 14899793 ZVLQCPDUUAWYTA-UHFFFAOYSA-N 421.423 3.278 0 40 HGAB COc1ccccc1-n1ncc2c(O)nc(SCC(=O)Nc3ccccc3)nc21 16974312 JJYNEXHHULPIBA-UHFFFAOYSA-N 407.455 3.261 0 40 HGAB CN1CCN2c3ccccc3C[C@]3(C(=O)N(c4ccccc4Cl)C(=O)N=C3O)[C@@H]2C1 17028916 HJSFJQDWUUWQDX-AVRDEDQJSA-N 424.888 3.126 0 40 HGAB Cc1cc(C(=O)CN2CCC(O)(Cn3ncc4ccccc43)CC2)c(C)n1C1CC1 19567475 DNXJWSAGWCMQJH-UHFFFAOYSA-N 406.530 3.499 0 40 HGAB Cc1noc(CCC(=O)N2CCC[C@H]2c2nc(N(C)C)ncc2-c2ccc(F)cc2)n1 19689911 SFVOTFFJSYNXOH-SFHVURJKSA-N 424.480 3.336 0 40 HGAB CN(C)c1ncc(-c2cccc(Cl)c2)c([C@H]2CCCN(C(=O)Cn3cccn3)C2)n1 19694246 HJRYYQIZNPECCA-KRWDZBQOSA-N 424.936 3.466 0 40 HGAB C[C@H](Oc1ccccc1)c1nnc(NC(=O)c2nc3ccccc3n(C)c2=O)s1 19715021 BHERUVNVTKWXET-LBPRGKRZSA-N 407.455 3.177 0 40 HGAB O=C(c1ccco1)N1CCN(C[C@H](O)COc2ccc(-c3ccccc3)cc2)CC1 20029608 ACZHWUPIXHRCMC-NRFANRHFSA-N 406.482 3.144 0 40 HGAB CCC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(OCC)cc1 22247763 SQBVKDRHWUPHBD-DYESRHJHSA-N 418.559 3.280 0 40 HGAB Cc1ccc(N(CC(=O)NCCCc2ccccc2Cl)S(C)(=O)=O)c(C)c1 22328188 HRMGJFYASMRURG-UHFFFAOYSA-N 408.951 3.472 0 40 HGAB CCOc1ccccc1CNC(=O)CN(c1c(C)cc(C)cc1C)S(C)(=O)=O 22396831 DGGVCFRJHTUDBH-UHFFFAOYSA-N 404.532 3.093 0 40 HGAB COc1cc2c(cc1OC)CN([C@H]1CC(=O)N(c3cccc(Cl)c3)C1=O)CC2 22609266 OQHXYMGBVFRLDG-KRWDZBQOSA-N 400.862 3.047 0 40 HGAB O=C(CN1CCN(C/C=C/c2ccccc2)CC1)NCCc1c[nH]c2ccccc12 22778024 ZQAWYWJQQXHIHT-RMKNXTFCSA-N 402.542 3.158 0 40 HGAB CN(C)C(=O)c1ccc(NC(=O)COC(=O)/C=C/c2nc3ccccc3s2)cc1 23079721 UREJOLBMVDENTC-VAWYXSNFSA-N 409.467 3.193 0 40 HGAB O=C(NC[C@H](c1ccc(F)cc1)N1CCOCC1)c1cc(F)c(F)c(F)c1F 23805103 QHLQKPXXJYWRLT-OAHLLOKOSA-N 400.347 3.185 0 40 HGAB Cc1cc(=O)n2nc(COC(=O)c3cc4c(C)nn(CC(C)C)c4s3)sc2n1 24269957 MFAPOXZUBSCGIM-UHFFFAOYSA-N 417.516 3.192 0 40 HGAB CC(C)CSc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)cn1 24867737 ZZEBJBGZDLSNEQ-UHFFFAOYSA-N 405.589 3.336 0 40 HGAB Cc1ccc(-n2cnnc2SCC(=O)N2CCC[C@H]2c2nnc3ccccn23)cc1 26555988 MQHWGOBSCNIENA-KRWDZBQOSA-N 419.514 3.074 0 40 HGAB COc1ccc(N2C[C@@H](C(=O)Nc3cccc(C(=O)OCC(C)C)c3)CC2=O)cc1 28580638 GOYVGRAFUFXRST-KRWDZBQOSA-N 410.470 3.500 0 40 HGAB Cc1nnc2ccc(N3CCC(C(=O)N4CCC(Cc5ccccc5)CC4)CC3)nn12 32103806 QPYFHVFDAMRTQT-UHFFFAOYSA-N 418.545 3.130 0 40 HGAB COc1ccc(O[C@H](C)C(=O)N[C@H](CCn2ccnc2)c2nc3ccccc3[nH]2)cc1 32933451 GICDBXPTSXWVMV-IIBYNOLFSA-N 419.485 3.483 0 40 HGAB Clc1ccccc1Cn1nnc2c(N3CCN(c4ccccc4)CC3)ncnc21 35314942 DKYXLMJXAIVQFD-UHFFFAOYSA-N 405.893 3.250 0 40 HGAB COc1ccc(C(=O)Nc2nnc(SCC(=O)NCc3cccs3)s2)cc1 35316134 XNPJSHRYXKIULF-UHFFFAOYSA-N 420.541 3.269 0 40 HGAB Cc1nn(Cc2ccc(Cl)cc2Cl)c2sc(C(=O)N(C)CC(N)=O)cc12 36394244 ZSBGSPJNIOPVTO-UHFFFAOYSA-N 411.314 3.319 0 40 HGAB COCCNC(=O)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2cccc(C(C)C)c2)C1 40059552 SNKVELUGUGSWNJ-SFHVURJKSA-N 423.513 3.178 0 40 HGAB C[C@@H](NC(=O)c1cccs1)C(=O)NCc1cccc(C(=O)Nc2ccccc2)c1 40106750 SXXNKMHOUDRABI-OAHLLOKOSA-N 407.495 3.435 0 40 HGAB O=C(Nc1ccc(Cl)cn1)[C@@H]1CCCN(C(=O)c2cc3ccccc3oc2=O)C1 40148923 HHVOHYKSCPDTFJ-CQSZACIVSA-N 411.845 3.332 0 40 HGAB Cc1cccc(N(CC(=O)NCc2ccc(Cl)cc2Cl)S(C)(=O)=O)c1 44791155 KWXQHQFYBPBSLV-UHFFFAOYSA-N 401.315 3.384 0 40 HGAB CN(Cc1cc(Br)cs1)C(=O)CCN1C(=O)COc2ccccc21 48327501 XWKKMKFHRMMTLE-UHFFFAOYSA-N 409.305 3.285 0 40 HGAB C=C1c2ccccc2C(=O)N1CC(=O)Nc1cccc(-c2nc(CC)cc(=O)[nH]2)c1 49303707 HHQXDLNJRJAFSD-UHFFFAOYSA-N 400.438 3.065 0 40 HGAB O=C1CCCN1c1ccc(Cn2nc3ccc(-c4ccc(Cl)cc4)nn3c2=O)cc1 49399393 XKABAKMJXMMZON-UHFFFAOYSA-N 419.872 3.387 0 40 HGAB O=C(CN1CCN(CCOc2ccc3ccccc3c2)CC1)N1CCc2ccccc21 52928738 GUCUJDFDYSXAPU-UHFFFAOYSA-N 415.537 3.426 0 40 HGAB CNS(=O)(=O)c1ccc(C(=O)Nc2ccccc2N2CCc3sccc3C2)o1 57282484 QSJALDHKYXNFNQ-UHFFFAOYSA-N 417.512 3.064 0 40 HGAB CCc1ccc(NC(=O)Cn2cnc3nc(N4CCC[C@@H](C)C4)sc3c2=O)cc1 67226048 NMKPZFXHVVXWKL-CQSZACIVSA-N 411.531 3.290 0 40 HGAB Nc1c(C(=O)NCc2ccccc2Cl)nsc1C(=O)NCc1ccccc1 67246137 NKRRDFONECVQEU-UHFFFAOYSA-N 400.891 3.239 0 40 HGAB O=C(c1cc(-c2ccc(Br)cc2)n[nH]1)N1CCCC[C@H]1C1OCCO1 69283251 CQAWZSCOSVOGCB-INIZCTEOSA-N 406.280 3.207 0 40 HGAB C[C@@H](C(=O)N[C@H]1CCOc2ccccc21)N1CCN(c2cc(F)cc(F)c2)CC1 69570437 PJLDBPBEMHAASZ-YWZLYKJASA-N 401.457 3.115 0 40 HGAB O=C(Nc1ccn(Cc2cccc3cccnc23)n1)c1cccc(N2CCNC2=O)c1 69978779 DZJCRIBAJGVDSB-UHFFFAOYSA-N 412.453 3.262 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2cccnc2N2CCN(C)CC2)cc1 72216621 IUSHXNZPWILVGY-NRFANRHFSA-N 414.575 3.058 0 40 HGAB COCCC(=O)N1CC[C@H](c2cc(CCOc3ccc(C(F)(F)F)cc3)[nH]n2)C1 72371353 NAYVVZNYXDPUCF-AWEZNQCLSA-N 411.424 3.402 0 40 HGAB NC(=O)c1ccc(-c2cnc(N)nc2[C@H]2CCCCN2C(=O)C2CCCCC2)cc1 72376884 FNRSUWWVLQBXQN-LJQANCHMSA-N 407.518 3.459 0 40 HGAB Cc1ccc2c(c1)cc(C(=O)N1CCC([C@H]3CCCCN3S(C)(=O)=O)CC1)n2C 72392213 GWRPSLMOEDBRAB-HXUWFJFHSA-N 417.575 3.153 0 40 HGAB O=C(Nc1nc2c(s1)CCCC2)c1nnn(-c2ccc(OC(F)(F)F)cc2)n1 77100417 UPGLDAJKYPTBPA-UHFFFAOYSA-N 410.381 3.149 0 40 HGAB COc1ccc2[nH]cc(CCNC(=O)[C@@H]3CCCN(c4nc(C)cc(C)n4)C3)c2c1 79478534 HPSKZZIRZLXWML-GOSISDBHSA-N 407.518 3.159 0 40 HGAB CCc1ccc(OCCc2nnc(NC(=O)CNC(=O)OC(C)(C)C)s2)cc1 94993308 UWWDBEZYXDRZOM-UHFFFAOYSA-N 406.508 3.185 0 40 HGAB CN1CCN(CCNC(=O)c2cc(C3CC3)nn2C(C)(C)C)[C@H](c2ccccc2)C1 106086666 TWMKFUHKFHXIIA-QFIPXVFZSA-N 409.578 3.234 0 40 HGAB C[C@@H](C(=O)N[C@H](C)c1ccc(F)cc1)N(c1ccc(F)c(F)c1)S(C)(=O)=O 113956787 PDPHAZUBVJTCLY-NEPJUHHUSA-N 400.422 3.136 0 40 HGAB O=C(/C=C/c1ccc2c(c1)OCO2)Nc1cnn(C[C@@H]2COc3ccccc3O2)c1 206839960 IOECILPUZFQLQV-DBWMJRBXSA-N 405.410 3.104 0 40 HGAB Cc1ccc(OC[C@H](C)NC(=O)c2ccc(N3CCCCS3(=O)=O)cc2)cc1 222590598 LMBDXSCDKLWAHU-KRWDZBQOSA-N 402.516 3.122 0 40 HGAB COc1ccc(-c2noc(CNC(=O)[C@@H]3CCCN(Cc4ccc(F)cc4)C3)n2)cc1 222599971 SQFSTPULXBZMAZ-GOSISDBHSA-N 424.476 3.413 0 40 HGAB COc1cccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)c1 223279404 JDWPKDMXEUHNTN-VXKWHMMOSA-N 421.570 3.415 0 40 HGAB COc1ccc(CN(C(C)=O)[C@H](C(=O)NCc2ccccn2)c2ccccc2)cc1 223542815 FOEQQOMLENQDOY-QHCPKHFHSA-N 403.482 3.496 0 40 HGAB CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccn(-c2ccccc2)c1 223672471 ZRZBKBXRMPWLRK-SFTDATJTSA-N 406.511 3.408 0 40 HGAB CSc1nnc(NC(=O)c2ccccc2N(C)S(=O)(=O)c2ccccc2)s1 224087229 LBEPWCOIBZNEPU-UHFFFAOYSA-N 420.541 3.337 0 40 HGAB COC(=O)CSc1nnc(NC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)s1 225158578 PVVFYFCRVXNIHK-JTQLQIEISA-N 415.924 3.479 0 40 HGAB COc1cc(NC(=S)N2CCN(Cc3ccccn3)CC2)c(OC)cc1Cl 225225495 FAMXAUQPFOSNEH-UHFFFAOYSA-N 406.939 3.267 0 40 HGAB COc1ccc2c(c1)CCC[C@H]2NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 225570993 KIPAFEJVLNHGNP-OAQYLSRUSA-N 414.527 3.287 0 40 HGAB CC(=O)c1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3c(C)cccc3C)C2)cc1 408664550 QRHDCCORPBMVJA-SFHVURJKSA-N 408.454 3.041 0 40 HGAB Cc1ccccc1CNC(=O)C(=O)Nc1ccccc1C(=O)NCCc1ccccc1 408709933 IUUUVEYVDDRPIS-UHFFFAOYSA-N 415.493 3.222 0 40 HGAB O=C(CSc1nc2ccc(N3C(=O)[C@H]4CCCC[C@H]4C3=O)cc2s1)NC1CC1 408981652 IMQUOUCRQWEUFS-OKILXGFUSA-N 415.540 3.347 0 40 HGAB Cc1ccccc1C(=O)NCc1nnc(SCC(=O)N[C@@H](C)c2ccccc2)n1C 409060931 XDUVYGQFTYRZPO-INIZCTEOSA-N 423.542 3.023 0 40 HGAB CSc1cccc(NC(=O)COc2ccc(S(=O)(=O)NCC(C)C)cc2)c1 409207240 UJSSBCVHAWUVHI-UHFFFAOYSA-N 408.545 3.360 0 40 HGAB OC[C@H]1[C@H](O)C[C@@H](NCc2ccccc2C(F)(F)F)[C@@H]1Cc1ccnc(C2CC2)n1 604382161 IFLWZJHSZZHLBY-HNBVOPMISA-N 421.463 3.063 0 40 HGAB biogenic,in-vitro CC(=O)N1CCCCCCCCN(CC(=O)N2CCC[C@@H](O)C2)Cc2ccccc21 643576241 YQUKCACFURVKPH-JOCHJYFZSA-N 415.578 3.179 0 40 HGAB Cn1nc(-c2ccccc2)cc1C(=O)N1CC(Oc2ccnc(C(F)(F)F)c2)C1 1775974411 GGCAHTCSJSSZHX-UHFFFAOYSA-N 402.376 3.404 0 40 HGAB Cc1ccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)cc1 796889 NPKADSJFCHRGNM-KRWDZBQOSA-N 406.935 3.366 0 40 HGAB CCOC(=O)[C@](NC(=O)c1cccnc1)(Nc1ccc(Cl)cc1)C(F)(F)F 2306174 LAJXPDYRQBTCJZ-MRXNPFEDSA-N 401.772 3.399 0 40 HGAB CCCc1nc2sc3c(N(CO)CCO)nc(SC)nc3c2c2c1CCC2 2413833 WSJCVNKPUABTOZ-UHFFFAOYSA-N 404.561 3.151 0 40 HGAB O=C1CN(C(=O)COC(=O)C(c2ccccc2)c2ccccc2)c2ccccc2N1 2617090 DLPRDVNVMCPHHM-UHFFFAOYSA-N 400.434 3.347 0 40 HGAB O=C(O)COc1cc(Br)c(Br)c(Br)c1O 3097117 CQOYCHLSMIAGBQ-UHFFFAOYSA-N 404.836 3.143 0 40 HGAB COc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2onc(C)c2C)cc1 3947374 MFXQKFUVULJLGS-UHFFFAOYSA-N 401.444 3.353 0 40 HGAB CCOc1ccccc1NC(=O)CSc1nc2c(c(=O)n1CC)S[C@@H](C)C2 4107966 ITCBVASWAOLRDW-LBPRGKRZSA-N 405.545 3.429 0 40 HGAB Cc1ccc(S(=O)(=O)N(C)CC(=O)OCc2coc(-c3cccs3)n2)cc1 4287015 RUNIZFVYLJPLAB-UHFFFAOYSA-N 406.485 3.075 0 40 HGAB CCOc1c(CNc2ccc(N3CCOCC3)c(C(=O)OC)c2)cccc1OC 4386323 WQONCELKGRYVMQ-UHFFFAOYSA-N 400.475 3.329 0 40 HGAB CC1(C)O[C@@H]2O[C@@H](C(=O)Nc3ccccc3C(F)(F)F)[C@H]3OC(C)(C)O[C@H]3[C@H]2O1 4393242 GSQCRPFGOPNVJK-YTBGYOSVSA-N 417.380 3.040 0 40 HGAB O=C(CSc1ccc(-c2ccc(Br)cc2)nn1)NC[C@H]1CCCO1 5108005 ILLBTCOLDMNEPU-CQSZACIVSA-N 408.321 3.293 0 40 HGAB CS(=O)(=O)c1ccc(-c2nnc(NC(=O)c3ccc4ncsc4c3)o2)cc1 5240655 VVMIOWIGPXTFIU-UHFFFAOYSA-N 400.441 3.002 0 40 HGAB O=C1CN(C(=O)COC(=O)CCSc2ccccc2Cl)c2ccccc2N1 5786888 GCAJMLMIHRWXGA-UHFFFAOYSA-N 404.875 3.351 0 40 HGAB CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CSc2ccccc2F)c1 6402156 BZEMTBRNBBFRKA-UHFFFAOYSA-N 402.900 3.460 0 40 HGAB Cc1ccc(NC(=O)CSc2nnc(CC(=O)Nc3ccccc3)n2C)c(C)c1 6472742 UAUCDENCCNDJQU-UHFFFAOYSA-N 409.515 3.344 0 40 HGAB CCN(CC)C(=O)C1=C(C)NC(=S)N[C@@H]1c1cc(Br)ccc1OC 7553567 OMEGJQZFYIDWAZ-OAHLLOKOSA-N 412.353 3.119 0 40 HGAB COc1ccc(OC)c(-c2csc(NC(=O)[C@@H]3CS[C@]4(C)CCC(=O)N34)n2)c1 7757654 OCQAGXPYYYTJRZ-IFXJQAMLSA-N 419.528 3.220 0 40 HGAB O=C(CCCc1nc2ccccc2c(=O)[nH]1)NC[C@@H](c1cccs1)N1CCCC1 7986419 QRFFATURWFKMEQ-SFHVURJKSA-N 410.543 3.261 0 40 HGAB O=C(CSc1nnc(-c2cccs2)n1C1CC1)Nc1ccc2[nH]c(=O)[nH]c2c1 8324731 OPWGAEBRVAHUQD-UHFFFAOYSA-N 412.500 3.242 0 40 HGAB CCN(CC)c1ccc(NC(=O)Cn2cnc3c(cnn3-c3ccccc3)c2=O)cc1 8405018 KATUAOIPAYMQPQ-UHFFFAOYSA-N 416.485 3.067 0 40 HGAB CC1(C)CC(=O)c2c(O)cc(OCC(=O)NCCc3c[nH]c4ccccc34)cc2O1 8764388 LADXIXJYFOPUPM-UHFFFAOYSA-N 408.454 3.355 0 40 HGAB biogenic CCOc1cc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCC(=O)O)ccc1O 8867818 ZNOVYKCIKMFJAQ-FQEVSTJZSA-N 423.421 3.307 0 40 HGAB COc1ccccc1CNC(=O)C(=O)NC[C@@H](c1ccsc1)N1CCCCCC1 8893640 JCXPRCPIRDOSHC-IBGZPJMESA-N 415.559 3.106 0 40 HGAB O=C1c2ccccc2C(=O)N1CCCn1nnc2sc(-c3ccccc3)cc2c1=O 9206850 FDFSTCKWEVWKOV-UHFFFAOYSA-N 416.462 3.206 0 40 HGAB CCc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)sc1C 9217080 KTWPBYBBVSCTJD-UHFFFAOYSA-N 402.501 3.462 0 40 HGAB O=C(Cn1cnc2c(cnn2-c2ccc(Cl)cc2)c1=O)Nc1ccc(F)cc1F 9416371 DINHLWUZGSIXNM-UHFFFAOYSA-N 415.787 3.153 0 40 HGAB COc1ccccc1C(=O)Nc1nc(-c2nnn(-c3ccccc3OC)c2C)ns1 9638900 QCABZOUJNKJKTI-UHFFFAOYSA-N 422.470 3.364 0 40 HGAB Cc1cccc(CNC(=O)CN(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)c1 10447853 YCHAGEYCHYMWKA-UHFFFAOYSA-N 401.315 3.384 0 40 HGAB O=C(NCc1nnnn1-c1cccc(F)c1)C1c2ccccc2Oc2ccccc21 10593688 FHBFGVMTEFENHZ-UHFFFAOYSA-N 401.401 3.355 0 40 HGAB Cc1ccnc(Nc2ccc(N3CCN(C(=O)Nc4ccccc4F)CC3)nn2)c1 11696938 KRWKGPHKBHSIHS-UHFFFAOYSA-N 407.453 3.417 0 40 HGAB COc1ccc(CCNC(=O)c2cc(=O)c(OCc3ccccc3)co2)cc1OC 11856529 LEPIORUZPHWBPD-UHFFFAOYSA-N 409.438 3.209 0 40 HGAB COc1cc(NC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)c(OC)cc1Cl 12418124 QTOGJECYEXYKNI-UHFFFAOYSA-N 424.906 3.322 0 40 HGAB COc1ccc(S(=O)(=O)NCCCn2cnc3ccccc32)cc1Br 12555121 UVAZBYAQCAIQGM-UHFFFAOYSA-N 424.320 3.176 0 40 HGAB COc1ccc(Cl)cc1NC(=O)CN(C)[C@@H](C)C(=O)Nc1ccc(Cl)cn1 12752805 FZSJYXHHDALHAD-NSHDSACASA-N 411.289 3.295 0 40 HGAB NC(=O)CCn1c(SCCC(=O)Nc2ccccc2F)nnc1-c1cccs1 12860281 ONOQKFDATYLJPU-UHFFFAOYSA-N 419.507 3.142 0 40 HGAB C[C@H](NC(=O)CSCc1ccc(Cl)s1)c1ccc(S(N)(=O)=O)cc1 12917156 PSXNWVIEAXJKTJ-JTQLQIEISA-N 404.966 3.160 0 40 HGAB O=C(c1cccs1)[C@H]1[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@H]2CCCN21 13541506 GSWJGDVCOGRWDV-MXASKKJJSA-N 400.887 3.237 0 40 HGAB CC(C)n1c(-c2ccc(Cl)cc2Cl)cn2c3c(=O)n(C)c(=O)n(C)c3nc12 13776915 ZXPGFLHXLLCCPV-UHFFFAOYSA-N 406.273 3.241 0 40 HGAB CC(C)[C@@H](C(=O)OCC(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2C1=O 13785435 QVYDPTHOKUMAHH-MCRSOVSTSA-N 417.889 3.122 0 40 HGAB COc1ccc(N2C[C@@H](c3nnc(NC(=O)c4cccc(OC)c4)s3)CC2=O)cc1 13944306 QTWSSLSNCXIWTM-AWEZNQCLSA-N 424.482 3.328 0 40 HGAB O=C(Cc1ccc(N2CCCC2=O)cc1)Nc1cc(Cl)ccc1N1CCOCC1 15604562 DGHYBYWAXWPUFM-UHFFFAOYSA-N 413.905 3.485 0 40 HGAB CC(=O)N1CCc2cc(C(=O)[C@@H](C)OC(=O)c3cc(=O)c4ccccc4o3)ccc21 16745114 IZYRVQCNMJIIKP-CYBMUJFWSA-N 405.406 3.130 0 40 HGAB COCCNc1nc(Nc2ccc3c(c2)OCO3)c2cnn(-c3ccccc3)c2n1 16942741 ANHVMUYMVOJHGC-UHFFFAOYSA-N 404.430 3.346 0 40 HGAB O=C(CCn1c(=O)oc2ccccc21)Nc1cc2c(cc1Br)OCCO2 18699340 IDZKYNHKKWOKIU-UHFFFAOYSA-N 419.231 3.157 0 40 HGAB Cc1nc2ncnn2c(C)c1CCC(=O)Nc1cccc(CCc2ccncc2)c1 19578586 FEMQNSXKOOLYOX-UHFFFAOYSA-N 400.486 3.493 0 40 HGAB CNC(=O)[C@@]1(Cc2cccc(-c3cccnc3)c2)CN(Cc2cccc(F)c2)CCO1 19591908 QMLWQBVCGVKAJR-RUZDIDTESA-N 419.500 3.447 0 40 HGAB COCc1ccc(OC)c(CN2CCC(c3noc(-c4ccc(O)nc4)n3)CC2)c1 19594337 HAWFPJHWPZWOMJ-UHFFFAOYSA-N 410.474 3.372 0 40 HGAB CC(C)(C)[C@H]1CCc2[nH]nc(C(=O)Nc3ccc(N4CCCS4(=O)=O)cc3)c2C1 19655077 KORQXDGPJMKOMA-AWEZNQCLSA-N 416.547 3.353 0 40 HGAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H]2CCCc3ccccc32)cc1C 20015154 FEVHXMKYSSAJLW-HXUWFJFHSA-N 416.543 3.208 0 40 HGAB O=C(CN1CCOCC1)Nc1sc2c(c1C(=O)c1ccc(Cl)cc1)CCC2 20120901 GTHBDHUBRNZFIY-UHFFFAOYSA-N 404.919 3.392 0 40 HGAB CN(CC(=O)NCC(=O)Nc1ccc(F)c(F)c1)Cc1ccc(Cl)c(Cl)c1 21580461 KPZWSBFDXRXVBI-UHFFFAOYSA-N 416.255 3.458 0 40 HGAB CCOc1cccc(N(CC(=O)N[C@H](C)c2ccc(C)c(C)c2)S(C)(=O)=O)c1 22427295 VWDLBZIGSKGXIC-QGZVFWFLSA-N 404.532 3.346 0 40 HGAB Cc1cccc(NC(=O)CN(C)C(=O)[C@H]2CC(=O)N(c3cccc(C)c3C)C2)c1C 24738114 UOMZEUZXOPXNTP-IBGZPJMESA-N 407.514 3.370 0 40 HGAB CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1ccc(-n2ccnc2)nc1 24912366 OFXLHSOYKFGDAA-UHFFFAOYSA-N 417.391 3.176 0 40 HGAB CSc1ccc(S(=O)(=O)Nc2ccc(C(=O)O)cc2)cc1C(=O)N1CCCC1 26115585 VWRVIFAQOMLRNZ-UHFFFAOYSA-N 420.512 3.144 0 40 HGAB COc1ccc(CSC2=N[C@@H]3CS(=O)(=O)C[C@H]3N2c2ccccc2F)cc1 32639752 KHDIKJODFGVUNK-SJLPKXTDSA-N 406.504 3.109 0 40 HGAB C[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)NCCOc3ccccc3F)cc2)C1 32999734 ZQBKDPBCRKKDQM-INIZCTEOSA-N 420.506 3.055 0 40 HGAB CCOc1ccc(C)cc1S(=O)(=O)NCCCN1CCO[C@@H](c2ccccc2)C1 36700303 IMEADAOLRVPAFJ-OAQYLSRUSA-N 418.559 3.136 0 40 HGAB O=C(/C=C/c1ccc2c(c1)OCO2)N1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)CC1 38946914 LTXOBPSGGMWUSG-MXILLATGSA-N 422.456 3.042 0 40 HGAB O=C(O)COC(=O)COC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl 44699349 IDMXAVBMWGEQMW-UHFFFAOYSA-N 412.225 3.451 0 40 HGAB in-vitro O=S(=O)(Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1)c1ccc(Cl)cc1 44905040 VPPJLISJUXSVCO-UHFFFAOYSA-N 423.903 3.337 0 40 HGAB CN(C)c1cccc(C(=O)NC2CCN(C(=O)c3cc(-c4cccs4)n[nH]3)CC2)c1 49406551 OHTJVMOVUWBBNK-UHFFFAOYSA-N 423.542 3.239 0 40 HGAB O=C(Nc1ccccc1O)C1CCN([C@@H](C(=O)N2CCCC2)c2ccccc2)CC1 57289827 YLHZQUDGBCWUFU-JOCHJYFZSA-N 407.514 3.406 0 40 HGAB O=C1COc2ccccc2N1CC(=O)N1CCCC[C@H]1c1nc(-c2ccccc2)no1 70005671 SGDHTSBFRXZWBQ-SFHVURJKSA-N 418.453 3.216 0 40 HGAB Cc1cccc(C)c1NC(=O)CN1CCN(c2cc(C(C)C)nc(N(C)C)n2)CC1 72301781 FLIOCGQNKACWCG-UHFFFAOYSA-N 410.566 3.044 0 40 HGAB Cc1c(C(=O)COC(=O)c2ccc([C@]3(C)NC(=O)NC3=O)cc2)sc2ccccc12 72312587 JKUABAGGVBLLSR-QFIPXVFZSA-N 422.462 3.304 0 40 HGAB CC(C)NC(=O)[C@]1(Cc2ccccc2-c2cncnc2)CCCN(C(=O)[C@H]2C[C@H]2C)C1 72389000 NLHJBEISMOKLKT-MOADCYBESA-N 420.557 3.476 0 40 HGAB C[C@@H]1CCCN(C(=O)c2csc(-c3cnn(C)c3)n2)[C@@H]1CNC(=O)OC(C)(C)C 78992191 XJUZXZPWXCEBQE-CZUORRHYSA-N 419.551 3.309 0 40 HGAB C[C@H]1C(=O)Nc2cc(C(=O)NCCOc3cccc(Br)c3)ccc2N1C 79020706 AWUORAPKVZVZNQ-LBPRGKRZSA-N 418.291 3.035 0 40 HGAB Cc1cc(S(=O)(=O)N2CCC(Oc3cnccn3)CC2)c(Cl)cc1Cl 90678187 OPYAKUMMLVHDQU-UHFFFAOYSA-N 402.303 3.324 0 40 HGAB Cc1cc(S(=O)(=O)Nc2ccc(C(=O)O)cc2)ccc1I 95945910 YOOQIEVWUFPCCT-UHFFFAOYSA-N 417.224 3.099 0 40 HGAB CCN1CCn2c(-c3ccccc3)cnc2C12CCN(C(=O)c1ccccn1)CC2 96037045 UEWKFHKXPZGWPF-UHFFFAOYSA-N 401.514 3.412 0 40 HGAB O=C(COc1ccc2c3c(c(=O)oc2c1)CCCC3)NC[C@H]1CCCN2CCCC[C@H]12 96343571 SOZSZWOEIJUELM-VGOFRKELSA-N 424.541 3.431 0 40 HGAB COc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc5ccccc45)C(=O)[C@H]3N3CCCN23)cc1 100122135 FNIWUJASFHKNMA-ZRBLBEILSA-N 413.477 3.384 0 40 HGAB COc1ccc(N2C(=O)/C(=C\NCc3ccccn3)c3ccccc3C2=O)c(OC)c1 100903630 ITGGUGYLTKRYIT-HKWRFOASSA-N 415.449 3.417 0 40 HGAB COc1ccccc1N1C(=O)[C@H]2ON(c3ccccc3)[C@@H](c3ccc(O)cc3)[C@@H]2C1=O 100969857 CAUKAGFZMJWBNQ-FKBYEOEOSA-N 416.433 3.452 0 40 HGAB O=C1[C@@H]2C=C(S(=O)(=O)N3CCCCC3)C=CC2=NN1Cc1c(F)cccc1Cl 101331399 GRBXFUWSPGSBNK-CQSZACIVSA-N 423.897 3.063 0 40 HGAB COc1ccc(N([C@H](C)C(=O)Nc2cc(C)cc(C)c2)S(C)(=O)=O)cc1OC 220225273 YHAKNBXZTHFPHR-OAHLLOKOSA-N 406.504 3.114 0 40 HGAB CCc1ccc(N([C@@H](C)C(=O)NCCSCc2ccco2)S(C)(=O)=O)cc1 220271971 PFSGFRWPCBKGFM-HNNXBMFYSA-N 410.561 3.046 0 40 HGAB CC[C@@H](C(=O)N[C@@H](C)CCc1ccccc1)N(c1cccc(OC)c1)S(C)(=O)=O 220623961 PDZBRKTXKFJUQP-UWJYYQICSA-N 418.559 3.377 0 40 HGAB CNS(=O)(=O)c1ccc(C)c(NS(=O)(=O)c2cc(Cl)ccc2Cl)c1 222992023 RMTIHMFRTUHYRI-UHFFFAOYSA-N 409.316 3.011 0 40 HGAB COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1Cc1ccco1 223683986 CDHISNCSQCJTMV-UXHICEINSA-N 410.499 3.060 0 40 HGAB COc1ccc(S(=O)(=O)NCCOc2ccccc2C(C)C)cc1NC(C)=O 223829736 CMOCIUWESJBKOK-UHFFFAOYSA-N 406.504 3.134 0 40 HGAB CCn1c(=O)sc2cc(NC(=O)c3ccc(NS(=O)(=O)CC)cc3)ccc21 225097162 OGFHADDIUSKCIK-UHFFFAOYSA-N 405.501 3.097 0 40 HGAB O=C(NCCCc1ccccc1Cl)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 225510450 RZHJNHUMEHQADB-GOSISDBHSA-N 420.962 3.490 0 40 HGAB CC(C)(Cc1ccccc1)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 225517433 DUEPLSMFMYRPGC-LJQANCHMSA-N 400.544 3.225 0 40 HGAB COC(=O)c1cc(I)c(OC(=O)c2ccccc2)c(OC)c1 226364467 OOGVKLKASAGATJ-UHFFFAOYSA-N 412.179 3.306 0 40 HGAB C[C@H](Oc1ccccc1F)C(=O)N1[C@H]2CC[C@H]1CC(O)(c1ccc3c(c1)OCO3)C2 248379152 LXDUFCAHZZIMAM-XIRDDKMYSA-N 413.445 3.363 0 40 HGAB O=C(N[C@H]1CCN(c2ccc(C(F)(F)F)cn2)C1)c1cncc(Br)c1 253473126 RMNFOEYXZZLZSH-ZDUSSCGKSA-N 415.213 3.267 0 40 HGAB CCN(c1ccc(C(=O)N[C@H](C)COc2ccccc2C)cc1)S(=O)(=O)CC 260507318 JSDDZZGLKUSCAG-QGZVFWFLSA-N 404.532 3.368 0 40 HGAB CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N[C@H](C)CCc1ccccc1 260813077 PHQROMCJNQFNKD-UTKZUKDTSA-N 418.559 3.377 0 40 HGAB COc1ccc(NC(=O)[C@@]23C[C@H]2CN(c2ccccc2)S3(=O)=O)c2ccccc12 260830681 GSXIBFMYZBZCGK-OYHNWAKOSA-N 408.479 3.396 0 40 HGAB Cn1ccc(C(=O)N2CCC[C@H](c3nc4ccc(NCc5ccccc5)cn4n3)C2)n1 306142397 WYNJEPWXXXRWRO-SFHVURJKSA-N 415.501 3.095 0 40 HGAB CC(=O)c1cccc(N(CC(=O)Nc2ccc(OC(C)C)cc2)S(C)(=O)=O)c1 408602968 DNBIJBADMICGIG-UHFFFAOYSA-N 404.488 3.081 0 40 HGAB COc1ccc(CNC(=O)c2ccccc2NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2C)cc1 408709516 CFSWJIHUBRBPTA-OXJNMPFZSA-N 423.513 3.259 0 40 HGAB O=C(N[C@H]1C(=O)N/[N+](=C\c2ccccc2)[C@H]1c1ccc(Cl)cc1)c1ccc(F)cc1 409053633 GPLCAAAEVGAVON-CIPQKONYSA-O 422.867 3.495 0 40 HGAB C[C@H](Oc1cccnc1)C(=O)Nc1cccc(NC(=O)[C@@H](C)Oc2cccnc2)c1 508302884 MAAVHDPMAJHSND-IYBDPMFKSA-N 406.442 3.289 0 40 HGAB CN1Cc2cccc(-c3cnc4n3CCN(C(=O)c3ccc(N(C)C)cc3)CC4)c2C1 585111114 DZRIQFVXZSNYDR-UHFFFAOYSA-N 415.541 3.260 0 40 HGAB COc1ccc(F)cc1-c1ccc(C[C@@]2(C(=O)NC3CCNCC3)CCCO2)cc1 643550508 IXYSZFLYASDVEN-XMMPIXPASA-N 412.505 3.461 0 40 HGAB COC(=O)[C@@H]1CN(C(=O)NCC2(c3ccc(F)cc3F)CC2)Cc2ccccc21 1670672046 CPUJONHISRZVOG-QGZVFWFLSA-N 400.425 3.478 0 40 HGAB O=C(NC(=S)Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1)c1ccccc1 676681 OIQYJRZNOPJHLK-UHFFFAOYSA-N 417.556 3.424 0 40 HGAB CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)sc(C)c1C 949330 CLLSRFAZWIMDTJ-UHFFFAOYSA-N 410.517 3.044 0 40 HGAB C[C@@H](NC(=O)CN(C)S(=O)(=O)c1cc(Cl)ccc1Cl)c1ccccc1 2093602 QMJBHTZSNQZZPM-GFCCVEGCSA-N 401.315 3.491 0 40 HGAB COc1ccc(CNC(=O)CSc2nnc(-c3cccc(C)c3)n2C)cc1OC 3400264 MHLVMAJZRQYFDC-UHFFFAOYSA-N 412.515 3.216 0 40 HGAB CC1CCN(S(=O)(=O)c2cc(C(=O)NC(C)(C)C)ccc2Br)CC1 3442192 WLMUXNCVAZFRGO-UHFFFAOYSA-N 417.369 3.398 0 40 HGAB COCCNC(=O)c1c(NC(=O)COc2ccc(OC)cc2)sc2c1CCCC2 4263331 RTTJBSSOAZTXRI-UHFFFAOYSA-N 418.515 3.029 0 40 HGAB COc1ccc(-c2nnc(S[C@H](C)C(=O)NC(=O)NC3CCCCC3)o2)cc1 4288463 RJNYAXOIJKULKN-GFCCVEGCSA-N 404.492 3.384 0 40 HGAB CC(=O)OCCCNC(=O)/C(=C/c1ccc(Cl)cc1)NC(=O)c1ccccc1 4976786 MLFXOQVTPHDNGR-RGEXLXHISA-N 400.862 3.180 0 40 HGAB biogenic Cn1c(=O)c2c(-c3ccccc3)n3c(c2n(C)c1=O)[C@H](c1ccco1)OCC3(C)C 5345727 PBEIFZTZOYGXTQ-FQEVSTJZSA-N 405.454 3.153 0 40 HGAB CCOC(=O)c1c(NC(=O)[C@H](C)Oc2cccc(Cl)c2)sc(C(N)=O)c1C 6047112 LCPSDHGSJOMIFL-JTQLQIEISA-N 410.879 3.392 0 40 HGAB CC(C)CCC[C@H](C)n1c(S[C@@H](C)C(=O)NC(N)=O)nc2ccccc2c1=O 6164708 BHHKKRVVXWNAOD-KBPBESRZSA-N 404.536 3.459 0 40 HGAB CC(C)CCNC(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(C)(=O)=O 6306666 JSTKUXUZLXRTSQ-UHFFFAOYSA-N 400.850 3.287 0 40 HGAB CC(C)CC(=O)NC(=S)Nc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 6858885 UJJTVJOJWVXXKA-UHFFFAOYSA-N 417.556 3.297 0 40 HGAB Cc1cccc(NC(=O)COC(=O)c2ccccc2SCC(=O)NC(C)C)c1 6881414 DZTHCGJPFCUOQO-UHFFFAOYSA-N 400.500 3.407 0 40 HGAB COc1ccccc1N1C(=O)/C(=C/c2cccn2-c2ccccc2)C(=O)NC1=S 6954911 DJYZBRSJMAWICQ-SAPNQHFASA-N 403.463 3.317 0 40 HGAB CCN(CC)C(=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)c1 7054766 IWYTWFXPKPJPFV-UHFFFAOYSA-N 404.488 3.131 0 40 HGAB COc1ccc(OC)c([C@H]2N=C(Nc3cccc(C)c3)Nc3nc(C)cc(=O)n32)c1 7495814 ZMLCYCCDGHBXTK-FQEVSTJZSA-N 405.458 3.318 0 40 HGAB COc1ccc(CN(C)C(=O)[C@H](C)N(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 7871833 WNFDAGHXNHHAMU-KRWDZBQOSA-N 404.532 3.125 0 40 HGAB CC[C@@H](OC(=O)[C@H]1CC(=O)N(c2cc(OC)ccc2OC)C1)C(=O)c1ccccc1 7881566 XVEQFVIUTFWMKX-QFBILLFUSA-N 411.454 3.261 0 40 HGAB CCCNC(=O)CNC(=O)c1cn(-c2ccc(C)cc2)nc1-c1cccc(OC)c1 8032548 AJMKUMPDBCEQIF-UHFFFAOYSA-N 406.486 3.112 0 40 HGAB Cc1ccc(C)c(N2C[C@H](C(=O)OCC(=O)Nc3cccc(Cl)c3)CC2=O)c1 8433778 ZGFJSUARYHLBRZ-OAHLLOKOSA-N 400.862 3.492 0 40 HGAB COc1ccc(CNC(=O)Cn2ccn3nc(-c4ccc(Cl)cc4)cc3c2=O)cc1 9327591 SXIIYRVBTUTVHN-UHFFFAOYSA-N 422.872 3.141 0 40 HGAB CCCCn1cnc2c1c(=O)n(Cc1cc(-c3ccco3)on1)c(=O)n2CC(C)C 9378235 LMLDTYFMZYGNEF-UHFFFAOYSA-N 411.462 3.112 0 40 HGAB O=C(Nc1c2c(nn1-c1cccc(Cl)c1)CS(=O)(=O)C2)c1ccc(F)c(F)c1 9518004 JKXNRUXWLDQALO-UHFFFAOYSA-N 423.828 3.485 0 40 HGAB C[C@@H](Sc1nnc(COc2ccc(Cl)cc2)n1N)C(=O)Nc1ccc(F)cc1 9645299 RMGUBMSFTGPRQN-LLVKDONJSA-N 421.885 3.483 0 40 HGAB COc1ccc(Cn2nnnc2SCC(=O)N[C@@H](C)c2cc3ccccc3o2)cc1 9783381 YXZZDYWGPWCAKF-AWEZNQCLSA-N 423.498 3.446 0 40 HGAB CCS(=O)(=O)N1C[C@@H](C(=O)Nc2ccc(OC(C)C)cc2)Oc2ccccc21 10009232 LSLUHJGFSAEUGT-IBGZPJMESA-N 404.488 3.030 0 40 HGAB CCCCn1c(=O)c2c(nc3n2CCCN3c2ccc(C)c(Cl)c2)n(C)c1=O 10104819 KDUCNSWXSUOTSW-UHFFFAOYSA-N 401.898 3.200 0 40 HGAB CC1=C(C(=O)Nc2cc(C)on2)[C@@H](c2ccc(F)c(Br)c2)NC(=O)N1C 10354125 VHGMAECCNVYYHB-OAHLLOKOSA-N 423.242 3.493 0 40 HGAB O=C1NCCCC[C@@H]1Sc1nc2sc3c(c2c(=O)n1Cc1ccco1)CCC3 12271274 VQUYXUBTUWKZQE-HNNXBMFYSA-N 415.540 3.349 0 40 HGAB O=C(NCc1ccc(F)cc1)c1nc(Cn2c(C(F)F)nc3ccccc32)no1 12360431 ZHNBYTGRNLKLHQ-UHFFFAOYSA-N 401.348 3.474 0 40 HGAB Cc1cc(C)c(NC(=O)[C@H]2Nc3cc(C(F)(F)F)ccc3S(=O)(=O)N2)c(C)c1 12414569 BHMWSWGXLMSDNI-INIZCTEOSA-N 413.421 3.299 0 40 HGAB CC(C)(C)c1ccc(NC(=O)COC(=O)CCc2nc3ccccc3c(=O)[nH]2)cc1 12486312 SZPWAJWYWDXZFV-UHFFFAOYSA-N 407.470 3.335 0 40 HGAB C[C@@H](NC(=O)CCCc1nc2ccccc2c(=O)[nH]1)c1ccc(-n2ccnc2)cc1 12544722 CKBUYNOZRUTMSB-MRXNPFEDSA-N 401.470 3.309 0 40 HGAB C[C@H](Oc1ccccc1Cl)C(=O)NC1CCN(CC(=O)Nc2ccccc2)CC1 12972933 XDHONZUNJSGWEQ-INIZCTEOSA-N 415.921 3.327 0 40 HGAB Cc1ccc(Oc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(F)cc2)cc1C 13512989 DEBJYQFVWXPVCZ-UHFFFAOYSA-N 408.433 3.030 0 40 HGAB C[C@H]1CN(C(=O)COc2cc(O)c3c(=O)cc(-c4ccccc4)oc3c2)C[C@@H](C)O1 13569470 GHCWLGOHHUXUIO-GASCZTMLSA-N 409.438 3.180 0 40 HGAB biogenic CCN1C[C@H](CN(C)CC(=O)Nc2ccccc2N2CCCC2)Oc2ccccc21 14094993 LTRMKAZGNACQBJ-IBGZPJMESA-N 408.546 3.445 0 40 HGAB CCCC(=O)Nc1ccc(C(=O)CN2C(=O)N[C@](C)(c3ccc(F)cc3)C2=O)cc1 16455747 BZBOUZGCOYDIOP-JOCHJYFZSA-N 411.433 3.214 0 40 HGAB Cc1ccc2c(c1)C(=O)N(CCCC(=O)Nc1cc3c(cc1Cl)OCO3)C2=O 16477685 ZCWNALMBNLCZLB-UHFFFAOYSA-N 400.818 3.392 0 40 HGAB O=S(=O)(c1ccc(OCCSc2nc3ccccc3o2)cc1)N1CCOCC1 16743584 PYXQWUVZJWIYIF-UHFFFAOYSA-N 420.512 3.020 0 40 HGAB O=S(=O)(N1CCCC1)N1CCCCC[C@@H]1c1cc(-c2ccc3c(c2)OCO3)on1 19346371 XWODAGXEPYIEPJ-QGZVFWFLSA-N 419.503 3.328 0 40 HGAB O=c1[nH]cc(-c2ccccc2)cc1CNc1ccccc1OCCN1CCOCC1 19373991 OHDBNIKLGWAUIH-UHFFFAOYSA-N 405.498 3.365 0 40 HGAB O=C(CN1CCN(c2nccs2)CC1)N1c2ccccc2S[C@H]2C=CC=C[C@H]21 19375605 KDZMIGQIEUDVIF-AEFFLSMTSA-N 410.568 3.267 0 40 HGAB COc1cccc([C@H](NC(=O)[C@@H]2CC(=O)N(Cc3ccncc3)C2)c2ccccc2)c1 19564896 VMNFUHBYXNZYLA-ZJSXRUAMSA-N 415.493 3.345 0 40 HGAB Cc1nn(C)c(C)c1CN(C)C(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](C1CC1)N2 19577736 URFPUVFMJIYZHJ-GOEBONIOSA-N 410.444 3.203 0 40 HGAB Cc1nc(-c2cncnc2[C@@H]2CCN(C(=O)CCc3c[nH]c4ccccc34)C2)no1 19693856 ZHBXLMZMFVQAPF-MRXNPFEDSA-N 402.458 3.265 0 40 HGAB CCN(CC)C(=O)c1cnc([C@@H]2CCN(C(=O)CCc3ccc(F)cc3)C2)nc1C 19753842 CQCVGLAKIFLHRS-GOSISDBHSA-N 412.509 3.355 0 40 HGAB Cc1nc([C@@H]2CCCCN2C(=O)CN2CCCC2)ncc1C(=O)Nc1ccccc1 19755817 XBKNVUSHXKXOMP-FQEVSTJZSA-N 407.518 3.187 0 40 HGAB COc1cccc(CNC(=O)c2cnc([C@@H]3CCN(C(=O)C4CCCC4)C3)nc2C)c1 19758244 XFKVAKQLVBTABQ-LJQANCHMSA-N 422.529 3.230 0 40 HGAB Cc1ccc(C)c(NC(=O)CN(c2ccccc2Br)S(C)(=O)=O)c1 19855566 LKSBAUJLGZGWLS-UHFFFAOYSA-N 411.321 3.471 0 40 HGAB O=C(c1ccco1)N1CCN(C[C@@H](O)COc2ccc(-c3ccccc3)cc2)CC1 20029607 ACZHWUPIXHRCMC-OAQYLSRUSA-N 406.482 3.144 0 40 HGAB Cc1c(C(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)cnn1-c1ccccc1 21974719 ZCGBSEJZPNPYCT-SFHVURJKSA-N 404.470 3.342 0 40 HGAB CCN(CC)C(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(OC)c(Cl)c1 22246712 AEQNBLPHXIXCJT-GOSISDBHSA-N 424.950 3.107 0 40 HGAB C[C@@H]1C[C@@H](C)CN(Cc2csc(NC(=O)CCCNC(=O)c3ccco3)n2)C1 22294526 JPOBYTVXPVXZFD-HUUCEWRRSA-N 404.536 3.363 0 40 HGAB CCOC(=O)N1CCN(CC(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)CC1 22418883 ZUVNLPVXSXZDJO-UHFFFAOYSA-N 408.911 3.176 0 40 HGAB Cc1ccc(OC[C@@H](C)NC(=O)CN(c2ccccc2C(C)C)S(C)(=O)=O)cc1 22425804 RBZFHMXSKQJMOC-GOSISDBHSA-N 418.559 3.468 0 40 HGAB C[C@H](NC(=O)COc1ccc(S(=O)(=O)NC2CCCC2)cc1)c1ccc(F)cc1 22536746 NMVZAIWRDCSWIV-HNNXBMFYSA-N 420.506 3.303 0 40 HGAB O[C@@H]1C[C@H]2CN(Cc3ccc(Br)s3)[C@@H](Cc3ccccc3)CN2C1 23247828 JVHXGXPPTNWALC-YESZJQIVSA-N 407.377 3.373 0 40 HGAB Cc1[nH]c2ccc(C(=O)NN3C(=O)N[C@](C)(CCc4ccccc4)C3=O)cc2c1C 23752428 GOUQYVLCVDXXTK-HSZRJFAPSA-N 404.470 3.373 0 40 HGAB Cc1cc(-c2cc(C(=O)NCc3nnc4ccccn34)c3c(C)noc3n2)c(C)o1 24894999 SMYCXAYKSZDWMW-UHFFFAOYSA-N 402.414 3.381 0 40 HGAB COc1ccc(-c2noc(COC(=O)c3cnn(Cc4ccccc4)c3)n2)cc1OC 25824709 VFVMWCYQRAPSFY-UHFFFAOYSA-N 420.425 3.356 0 40 HGAB COc1cc(OC)cc([C@H](NC(=O)c2cc(-c3ccco3)on2)c2nccn2C)c1 26742452 MYDMFZCYOUXGNS-IBGZPJMESA-N 408.414 3.205 0 40 HGAB CCc1ccc(O[C@@H](C)C(=O)N(Cc2cccc(F)c2)[C@@H]2CCS(=O)(=O)C2)cc1 28228661 AJMZAQCWXWOELT-OXJNMPFZSA-N 419.518 3.371 0 40 HGAB Cc1ccc(S(=O)(=O)NCCC(=O)N(C)Cc2c(F)cccc2Cl)cc1C 29369067 KRHMZZGVLPAQNE-UHFFFAOYSA-N 412.914 3.423 0 40 HGAB CCOc1ccc([C@@H](C)NC(=O)[C@H](C)N(c2ccc(C)cc2)S(C)(=O)=O)cc1 30858256 GJXPNUVLFNLYKQ-SJORKVTESA-N 404.532 3.426 0 40 HGAB CC(=O)c1cccc(N2C(SCc3ccccc3)=N[C@H]3CS(=O)(=O)C[C@@H]32)c1 32640594 BGNOEQREIJOUTM-OALUTQOASA-N 400.525 3.164 0 40 HGAB COC(=O)c1ccccc1NC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1 32727529 YLSPYDRWOGDZAN-UHFFFAOYSA-N 402.397 3.242 0 40 HGAB COCCN(CCOC)C(=O)c1cc(-c2cccs2)nc2c1cnn2C(C)C 32869156 IXPRBLQDVOJURK-UHFFFAOYSA-N 402.520 3.476 0 40 HGAB O=C(Nc1cccc(Cn2nc3ccccn3c2=O)c1)c1cccc(OC(F)F)c1 32925749 SYDKLRVREAMZDR-UHFFFAOYSA-N 410.380 3.398 0 40 HGAB Cc1ccc(CNC(=O)Cn2cc(-c3nc(-c4ccc(C)cc4)no3)ccc2=O)cc1 33293128 RVRVHMRZVMAEKH-UHFFFAOYSA-N 414.465 3.499 0 40 HGAB CCOc1ccccc1CNC(=O)CCc1nnc2ccc(-c3ccccc3)nn12 33309510 RVLQAZXWLNOECS-UHFFFAOYSA-N 401.470 3.439 0 40 HGAB CCOC(=O)c1c(NC(=O)Cc2cc(C)ccc2OC)sc(C(=O)N(C)C)c1C 39980482 RIOHBNJSQUMGJF-UHFFFAOYSA-N 418.515 3.433 0 40 HGAB CCN(CC(=O)Nc1ccccc1SC)S(=O)(=O)c1cc(C)ccc1OC 39985716 PDUBWBKOFCMYTM-UHFFFAOYSA-N 408.545 3.375 0 40 HGAB O=C(NCCN1C(=O)S/C(=C\c2ccccc2)C1=O)c1ccccc1-n1cccn1 40114753 HDROZDVHTPARAK-CYVLTUHYSA-N 418.478 3.339 0 40 HGAB O=C(NCc1cc(=O)n2nc(-c3cccc(Cl)c3)sc2n1)c1cccs1 41077168 XQADTFXWOKNJNV-UHFFFAOYSA-N 402.888 3.463 0 40 HGAB CC(C)(C)OC(=O)NC1CCN(C(=O)c2ccc3c(c2)NC(=O)CCS3)CC1 47533392 MVVVIURJFQGZAJ-UHFFFAOYSA-N 405.520 3.250 0 40 HGAB Cn1c(=O)c2ccccc2n(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1=O 57525570 MNYRKZNDUJTTTQ-UHFFFAOYSA-N 411.767 3.011 0 40 HGAB Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NC3CCCC3)Oc3ccc(C)cc32)cc1 64985777 LGXJNSZWCFEXSR-NRFANRHFSA-N 414.527 3.319 0 40 HGAB C[C@H]1CN(c2ccc(NC(=O)N3CCC(C4OCCO4)CC3)cc2F)C[C@@H](C)O1 69200559 KZOUHXLGSOTYIH-GASCZTMLSA-N 407.486 3.056 0 40 HGAB C[C@@H]1CN(Cc2ccccc2CNC(=O)c2ccc(-c3ccco3)[nH]c2=O)C[C@@H](C)O1 70037803 SRUSDMRZISTUJL-IAGOWNOFSA-N 421.497 3.174 0 40 HGAB C[C@H](c1ncnc(Cl)c1F)[C@@](O)(Cn1cnc(Cl)n1)c1ccc(F)cc1F 71623867 OSKASUIBSJCIHI-BCTVWOGZSA-N 418.206 3.484 0 40 HGAB Cc1nc([C@H]2CCCN2C(=O)c2cnccn2)ccc1C(=O)NCc1ccc(F)cc1 72371186 SLSXMKRHFMBYIH-OAQYLSRUSA-N 419.460 3.226 0 40 HGAB CC[C@H](C)C(=O)N1CCC(c2nc3c(c(=O)[nH]2)CN(Cc2cccs2)CC3)CC1 72398941 DEXXVIZUUPWVCS-HNNXBMFYSA-N 414.575 3.142 0 40 HGAB CCCCS(=O)(=O)N1CCC[C@@]2(CC(C(=O)Nc3cccc(Cl)c3)=NO2)C1 96074483 QIZHZPPNGTUALJ-GOSISDBHSA-N 413.927 3.019 0 40 HGAB C[C@@]12C[C@@H](c3ccccc3O1)n1c(s/c(=C/c3ccc(OC(F)F)cc3)c1=O)=N2 96118948 ZELRCHYMJMIIBZ-NZHUKOBYSA-N 414.433 3.061 0 40 HGAB O=C(CCCn1nnc2ccccc2c1=O)N[C@@H]1CCCc2c1[nH]c1ccccc21 96223079 VFBGFIPJLOCBRQ-HXUWFJFHSA-N 401.470 3.247 0 40 HGAB CC(C)[C@H](NC(=O)[C@@H]1CC(=O)N(c2n[nH]c3ccccc23)C1)c1nc2ccccc2[nH]1 96223824 JFENOESUYQVGFU-VLIAUNLRSA-N 416.485 3.306 0 40 HGAB COc1ccc(OC)c(NC(=O)c2nnn3c2CO[C@H](c2ccc(Cl)cc2)C3)c1 97161336 OIJFWBKZSWLHMY-SFHVURJKSA-N 414.849 3.473 0 40 HGAB Cc1ccc(NC(=O)CSCc2cc(=O)n3nc(-c4ccccc4)nc3[nH]2)cc1 102467877 OOGJCJUAXZXSCP-UHFFFAOYSA-N 405.483 3.265 0 40 HGAB O=C(CN1C(=O)[C@H]2CCCC[C@H]2C1=O)Nc1ccc(SCc2cccnc2)cc1 102535941 CMHDEDAQULZMDE-KDURUIRLSA-N 409.511 3.488 0 40 HGAB Cc1ccccc1-n1nc2c(c1NC(=O)CN1C(=O)c3ccccc3C1=O)CSC2 108903806 FODXPBZOKXYWEC-UHFFFAOYSA-N 418.478 3.162 0 40 HGAB CC1(C)O[C@@H]2C[C@H]3[C@@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@]2(C(=O)CO)O1 118917795 GYZQGDLMCLYUQG-CLSOBLCOSA-N 404.547 3.372 0 40 HGAB CC[C@H](C(=O)N[C@@H](C)COc1ccccc1C)N(c1ccc(C)cc1)S(C)(=O)=O 219101770 ITYKCEYJYGMPTQ-AZUAARDMSA-N 418.559 3.432 0 40 HGAB O=C(NCCCN1CCOCC1)C1CCN(Cc2ccc(Cl)cc2Cl)CC1 219416766 PZUKWPHRSOUVPU-UHFFFAOYSA-N 414.377 3.044 0 40 HGAB CS(=O)(=O)N(CC(=O)NCc1cccc2ccccc12)c1ccc(F)c(F)c1 222851139 ZHRHGKXNUQMYAC-UHFFFAOYSA-N 404.438 3.200 0 40 HGAB CCn1c(=O)oc2cc(S(=O)(=O)Nc3nc4c(s3)CCCC4)c(Cl)cc21 223367663 BVBLCLQOOQJEMY-UHFFFAOYSA-N 413.908 3.404 0 40 HGAB CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccn(-c2ccccc2)c1 223672569 ZRZBKBXRMPWLRK-LEWJYISDSA-N 406.511 3.408 0 40 HGAB CCOC(=O)CN(c1ccc(OC(C)C)cc1)S(=O)(=O)c1ccc(OC)cc1 224871321 XADGXVAKEBTGQP-UHFFFAOYSA-N 407.488 3.241 0 40 HGAB Cc1nc(NS(C)(=O)=O)sc1C(=O)NC(c1ccccc1)c1ccccc1 225879030 SFIHXGBXXHTHPK-UHFFFAOYSA-N 401.513 3.342 0 40 HGAB Cc1cc(S(=O)(=O)NCc2ccccc2)ccc1OCC(=O)NCC(C)(C)C 226055105 BHCBWKSIADKEML-UHFFFAOYSA-N 404.532 3.015 0 40 HGAB C[C@@H]1CN(C(=O)Cc2ccc(F)cc2)CC[C@]12CC[C@@H](C(=O)Nc1cccnc1)O2 253601442 AMBFRLPUGKWREO-NIJIEXERSA-N 411.477 3.188 0 40 HGAB O=C(c1ccc(-n2cccn2)nc1)N1CCOC[C@H](Cc2ccc3ccncc3c2)C1 257257441 KPOKFANJLAPLIM-LJQANCHMSA-N 413.481 3.147 0 40 HGAB CC(=O)Nc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N3CCCCC3)c2)cc1 408624554 QTVTVYSCKDWAOV-UHFFFAOYSA-N 415.515 3.380 0 40 HGAB O=C(c1sc2ncccc2c1[C@@H]1CCN(Cc2ccncc2)C1)N1CCOCC1 607855497 YKWRUXHWPSBOOR-QGZVFWFLSA-N 408.527 3.153 0 40 HGAB Cc1ccc(-c2nc(C)c(C(=O)NCCN3CCOCC3)s2)c(Br)c1 1539643351 OEBOOYUKNSUOQK-UHFFFAOYSA-N 424.364 3.251 0 40 HGAB FC(F)(F)c1nnc2ccc(N3CCC(COc4ccncc4Cl)CC3)nn12 1889160455 MCURVKMZWBFAFO-UHFFFAOYSA-N 412.803 3.487 0 40 HGAB Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1cccc3ccccc13)[C@@H]1C(=O)c3ccccc3C1=N2 828870 NDPRFSHOADVYGZ-PMACEKPBSA-N 421.456 3.316 0 40 HGAB COc1ccc(OC)c([C@H]2CCCN2C(=O)CCCN2C(=O)c3ccccc3C2=O)c1 21204306 JJFPHBFAPUVKBP-HXUWFJFHSA-N 422.481 3.444 0 40 HGAB COC(=O)c1ccc2c(=O)n(C[C@@H]3CCCO3)c(SCC(F)(F)F)nc2c1 32778362 QKNCOLVORYUZJO-NSHDSACASA-N 402.394 3.017 0 40 HGAB CC(C)[C@H](NC(=O)Nc1ccccc1)C(=O)N[C@@H](C)c1ccc(-n2cncn2)cc1 32737929 SYTAGYYOSTUFSN-JXFKEZNVSA-N 406.490 3.291 0 40 HGAB COc1ccc(O)cc1OCCNC[C@@H](O)COc1cccc2[nH]c3ccccc3c12 2526389 PVUVZUBTCLBJMT-QGZVFWFLSA-N 422.481 3.444 0 40 HGAB endogenous,world O=C(NCc1ccc(COCC(F)(F)F)cc1)[C@H]1CCCN(c2cnccn2)C1 32778319 WOPKWZNQEUDZMF-KRWDZBQOSA-N 408.424 3.088 0 40 HGAB O=C(c1cccs1)[C@@H]([C@H](c1ccc(Cl)cc1)N1CCOCC1)N1CCOCC1 21548811 VKCYIXOKAGLMNZ-VQTJNVASSA-N 420.962 3.359 0 40 HGAB C[C@H](NC(=O)N[C@@H](CN1CCOCC1)c1ccccc1)c1ccc(-n2ccnc2)cc1 32802243 RVJJUHRMYACAOM-CVDCTZTESA-N 419.529 3.306 0 40 HGAB CC(C)OC(=O)[C@H]1[C@H](c2ccc(Cl)cc2)[C@@H](C(=O)OC(C)C)C(=O)C[C@]1(C)O 4142604 CTPJHIYBLCRVGW-IIMDRIAPSA-N 410.894 3.283 0 40 HGAB O=C(NCc1ccccc1Cn1cccn1)[C@H]1CCCN(C(=O)Cc2ccccc2)C1 32816428 HQICCNQCHIYPTC-QHCPKHFHSA-N 416.525 3.029 0 40 HGAB COCCn1c(SCC(=O)N2CCC[C@@H](C)C2)nc2sc(C)c(C)c2c1=O 4188128 BQLOODQRDGDXEH-GFCCVEGCSA-N 409.577 3.072 0 40 HGAB Cc1cccc(N2CCN(C(=O)[C@H]3CCCN(C(=O)Cc4ccccc4)C3)CC2)c1 32816406 LMKVMCPDQZQRHV-QFIPXVFZSA-N 405.542 3.125 0 40 HGAB COc1ccc2c(C)c(CCC(=O)NC[C@@H]3CCCN4CCCC[C@H]34)c(=O)oc2c1 12297064 DIBZKXKHRBMLOY-LAUBAEHRSA-N 412.530 3.423 0 40 HGAB biogenic O=c1cccc2n1C[C@H]1C[C@H]2CN(C(=S)Nc2cccc(Br)c2)C1 100628885 LYYZVNZSUONOEC-STQMWFEESA-N 404.333 3.427 0 40 HGAB biogenic CCOc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3c(C)cccc3CC)CC2=O)cc1 794295 SLTAYNAFLUZQGI-SFHVURJKSA-N 424.497 3.491 0 40 HGAB Cn1nnnc1SCC(=O)Nc1ccc(C(=O)Nc2cccc3c2CCCC3)cc1 22883223 AIZNRIYNCCSWBY-UHFFFAOYSA-N 422.514 3.072 0 40 HGAB O=C(CCn1c(=O)oc2ccccc21)N1CCN(Cc2cccc3ccccc23)CC1 23866800 DLSOXBYPIAJHPS-UHFFFAOYSA-N 415.493 3.482 0 40 HGAB CN(Cc1ccc2c(c1)OCO2)C(=O)[C@H](Cc1ccccc1)NC(=O)c1cccs1 24640123 FIOKDHLEGUMRJG-SFHVURJKSA-N 422.506 3.477 0 40 HGAB Cc1ccc(CS(=O)(=O)N2CCC(C(=O)NCCSC(C)(C)C)CC2)cc1 24609194 QTFBFSUNWVBDQU-UHFFFAOYSA-N 412.621 3.185 0 40 HGAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)c2)cc1F 12521446 YQEJCNFUADWKFE-HUUCEWRRSA-N 406.479 3.184 0 40 HGAB Cc1ccc(CN2C[C@H](C(=O)OCC(=O)Nc3c(C)cc(C)cc3C)CC2=O)cc1 28609571 OPSWAQSJVQEHHY-HXUWFJFHSA-N 408.498 3.451 0 40 HGAB COc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(C)cc2C)cc1C(=O)NC(C)C 22519266 MVEBUGYOTXXRBG-INIZCTEOSA-N 404.532 3.490 0 40 HGAB C[C@H](c1ccccc1)n1c(SCC(=O)N2CCCC2=O)nc2ccccc2c1=O 3287243 CDHNLNIIWNVOJF-OAHLLOKOSA-N 407.495 3.247 0 40 HGAB Cn1c(SCc2nc3ccc(Cl)cc3n2CCO)nc2ccccc2c1=O 3344636 KBCXZEXRWXPOGF-UHFFFAOYSA-N 400.891 3.221 0 40 HGAB O=C(NCCc1nc2c(s1)CCCC2)[C@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 58171459 QTAVYMOCZJRNBG-KRWDZBQOSA-N 409.555 3.222 0 40 HGAB CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc3nc(C)sc3c2)n(C)c1 10784393 RSCCCIZSVVGGIW-UHFFFAOYSA-N 406.533 3.226 0 40 HGAB CC(=O)c1ccc(NC(=O)CSc2nc(N)c3cc4c(nc3n2)CCCC4)cc1 2397915 FAQTVKIQOCIFEX-UHFFFAOYSA-N 407.499 3.419 0 40 HGAB COc1ccc(NC(=O)CSc2nnc(-c3cccc(C)c3)n2N)cc1Cl 2366332 BXGZHEZKEPRALX-UHFFFAOYSA-N 403.895 3.360 0 40 HGAB Cc1cc(C)n(-c2cccc(NC(=O)N3CCN(C(=O)N4CCCCC4)CC3)c2)n1 48333254 NATRAGNGRGMBDK-UHFFFAOYSA-N 410.522 3.245 0 40 HGAB COc1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cc(C)ccc2OC)C1 409388544 DKYCZVXLGFFXHJ-MRXNPFEDSA-N 418.515 3.052 0 40 HGAB Cc1nc(-c2ccc(CNC(=O)c3cccc(S(=O)(=O)N(C)C)c3)s2)cs1 12889948 RMQBEAGLBKGWNO-UHFFFAOYSA-N 421.569 3.360 0 40 HGAB Cc1ccc(NC(=O)CSc2nnnn2-c2ccccc2)c(Br)c1 3504206 YYXXQTVMLNVJNA-UHFFFAOYSA-N 404.293 3.464 0 40 HGAB O=C(C[S@](=O)CCOc1cccc(Br)c1)NCC1CCCCC1 12906757 YFDAYBWDKLFGGF-QHCPKHFHSA-N 402.354 3.273 0 40 HGAB CCOc1ccc(C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 12911348 IRQJDKFTUXEVSE-UHFFFAOYSA-N 402.516 3.190 0 40 HGAB CCc1cccc(C)c1NC(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC 408705856 OVHFWKZEYTVCPW-UHFFFAOYSA-N 404.488 3.081 0 40 HGAB COc1ccc(OC)c(N2C[C@H](C(=O)Nc3cccc(Br)c3)CC2=O)c1 13941715 OQNCIWOJILMVHP-GFCCVEGCSA-N 419.275 3.458 0 40 HGAB COc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2cc(F)ccc2C)c1 22230355 XDMASPPNEBRKJE-SFHVURJKSA-N 406.479 3.243 0 40 HGAB COc1cccc(-c2noc(CN3C(=O)N[C@@]4(CCCc5sccc54)C3=O)n2)c1 9683146 OCSBDOULCOYBPW-HXUWFJFHSA-N 410.455 3.090 0 40 HGAB O=C1CN(C(=O)COC(=O)c2cc3c(s2)-c2ccccc2OC3)c2ccccc2N1 9691314 GXTDBMINJXMXPI-UHFFFAOYSA-N 420.446 3.450 0 40 HGAB COc1cc(OC)c2c(C)c(CC(=O)Nc3nc(C)c(C(C)=O)s3)c(=O)oc2c1 9134906 GZNGNKAUANKOEQ-UHFFFAOYSA-N 416.455 3.267 0 40 HGAB COc1ccccc1-c1nnc(S[C@H](C)C(=O)Nc2ccc3c(c2)OCO3)n1C 4736358 UKCNHMOYTYAFPJ-GFCCVEGCSA-N 412.471 3.339 0 40 HGAB COc1ccc(N2C(SCCCc3ccccc3)=N[C@H]3CS(=O)(=O)C[C@@H]32)cc1 6719282 PNMWPBHMBSPDJX-PMACEKPBSA-N 416.568 3.403 0 40 HGAB C[C@@H](NC(=O)c1ccccc1NC(=O)COc1nnc2ccccn12)c1ccccc1 15572190 ZCEDDCGZWQDSOC-MRXNPFEDSA-N 415.453 3.238 0 40 HGAB COC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN21 15974810 BXXHLOUIOGUWCB-MANSERQUSA-N 408.841 3.028 0 40 HGAB CC(C)n1ncc2cc(NC(=O)Cn3cnc4c(oc5ccccc54)c3=O)cnc21 16106740 BIPKEUWNMMZZEE-UHFFFAOYSA-N 402.414 3.107 0 40 HGAB COc1cccc(NC(=O)CN(C)C(=O)CSc2nc3ccccc3s2)c1 7883937 NOLUQXVAMPKIRD-UHFFFAOYSA-N 401.513 3.494 0 40 HGAB O=C(Nc1n[nH]c(SCc2ccc(Cl)cc2)n1)[C@H]1CC(=O)N(C2CCCC2)C1 7814256 KDZJXGFIUOVUDI-ZDUSSCGKSA-N 419.938 3.480 0 40 HGAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)Nc1ccc2c(c1)CCC2 7990165 QMJSVMHWBMOWBX-HNNXBMFYSA-N 401.532 3.173 0 40 HGAB CC[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1)c1ccc(OC)cc1 20493500 BWXYZSOBENZNNW-AEFFLSMTSA-N 422.572 3.425 0 40 HGAB CCOc1ccccc1C(=O)NCCCC(=O)N[C@H](C)c1nc(C(C)(C)C)no1 72303569 CBUYSIWQQXUKAB-CQSZACIVSA-N 402.495 3.153 0 40 HGAB COc1cccc([C@@H](NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)C(C)(C)C)c1 79013730 BIVGOQHHAIFRBM-LJQANCHMSA-N 404.532 3.463 0 40 HGAB COc1ccc([C@H]2CCCN2C(=O)CCNS(=O)(=O)c2ccc(C)cc2)cc1 28305733 DJRIYPJYMUGERF-HXUWFJFHSA-N 402.516 3.036 0 40 HGAB O=C1Nc2ccccc2S[C@H]1Nc1cccc(S(=O)(=O)N2CCCCC2)c1 89865656 ZJPYWTYYAMCDKQ-LJQANCHMSA-N 403.529 3.344 0 40 HGAB CN1C[C@@H](NS(=O)(=O)c2ccccc2)C[C@H]1c1nc(-c2ccc(Cl)cc2)no1 20464179 QYWGLEFMQXPQDR-RDJZCZTQSA-N 418.906 3.114 0 40 HGAB biogenic,in-vitro Cc1c(C(=O)Nc2cc(C(N)=O)ccc2OCC(F)F)nc(O)c2ccccc12 1556891735 BMRBAQYRIBWDPJ-UHFFFAOYSA-N 401.369 3.244 0 40 HGAB O=C(NCc1ccccc1)c1nnc2n1C[C@H]1CN(Cc3ccccc3Cl)C[C@@H]1C2 306143186 XVHSNHPSXLPTOW-RBUKOAKNSA-N 421.932 3.166 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)Nc2cccc(OC)c2)c(C)c1 28207709 OIVBJULSDXWROP-UHFFFAOYSA-N 406.504 3.052 0 40 HGAB O=C(NCc1ccc(CN2CCOCC2)cc1)c1cnn(Cc2ccccc2Cl)c1 29882351 SXZCGYNQSFXYGY-UHFFFAOYSA-N 424.932 3.347 0 40 HGAB COc1cc([C@H]2CC(=O)N=C3NC=NN32)cc(Cl)c1OCc1ccc(F)cc1 38200965 QCEDBZPIQUHTTE-OAHLLOKOSA-N 402.813 3.243 0 40 HGAB Cc1cc(=O)c(OCC(=O)N2CCc3[nH]c4ccc(OC(F)(F)F)cc4c3C2)co1 524732970 HGQHAVAJHDMNKB-UHFFFAOYSA-N 422.359 3.292 0 40 HGAB Cc1cccc(-n2ccnc2SCC(=O)N(CCC(N)=O)c2ccc(F)cc2)c1 30509986 JARHCZGUBNVGQC-UHFFFAOYSA-N 412.490 3.321 0 40 HGAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c2c1[C@H](c1ccccc1Br)CC(O)=N2 71279149 YDIUOHSFDDKKKE-YPMHNXCESA-N 424.320 3.437 0 40 HGAB CCOc1ccc([C@H](C)NC(=O)CN(c2cccc(C)c2C)S(C)(=O)=O)cc1 216316342 FPYBFWDIUFBULA-KRWDZBQOSA-N 404.532 3.346 0 40 HGAB COc1ccc(-c2noc(CNC(=O)[C@H](C)Oc3ccccc3Cl)n2)c(OC)c1 219062370 ARKZETQEWLLOEB-LBPRGKRZSA-N 417.849 3.491 0 40 HGAB CC[C@@H](NS(=O)(=O)c1nnc(NC(=O)c2ccccc2)s1)c1ccccc1 222809212 VXQTXWPWGIGBHO-OAHLLOKOSA-N 402.501 3.220 0 40 HGAB CCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCc1ccc(OC)c(OC)c1 224085485 BMIXVAYFYJICOO-SFHVURJKSA-N 412.530 3.232 0 40 HGAB NC(=O)c1ccc(NC(=O)c2snnc2-c2ccc(Br)cc2)cc1 225784795 UQXRVNCZMFTHEC-UHFFFAOYSA-N 403.261 3.319 0 40 HGAB CC[C@H](NC(=O)CCc1cc(S(=O)(=O)N(C)C)ccc1OC)c1ccccc1C 225505007 NQTKFVFQHHBVCA-FQEVSTJZSA-N 418.559 3.454 0 40 HGAB Cc1ccc(CN(CC(=O)Nc2ccc(Cc3ccncc3)cc2)S(C)(=O)=O)cc1 225174344 FOBBFJZUNNEYKP-UHFFFAOYSA-N 423.538 3.381 0 40 HGAB CC(C)Oc1ccc(N(CC(=O)NCCSC2CCCC2)S(C)(=O)=O)cc1 225279110 OLVADGYVPCTCOK-UHFFFAOYSA-N 414.593 3.032 0 40 HGAB COc1cc([C@@H]2CC(O)=Nc3nc(N4CCCCC4)sc32)ccc1OCC(N)=O 95481229 WOCQXENNCHYMDS-ZDUSSCGKSA-N 416.503 3.130 0 40 HGAB COc1cccc2[nH]cc([C@H](CC(=O)N[C@H]3CCS(=O)(=O)C3)c3ccsc3)c12 95472770 KXIDZLWTMODOHD-LSDHHAIUSA-N 418.540 3.063 0 40 HGAB Cc1noc(C)c1CN1CCC[C@]2(CCN(S(=O)(=O)c3cccc(F)c3)C2)C1 96216047 CWOLBMOZRQMHFM-FQEVSTJZSA-N 407.511 3.107 0 40 HGAB Cc1ccc(S(=O)(=O)N(C)Cc2ncc(C(=O)N[C@H](C)c3ccccc3)cn2)cc1 260619427 LNTAFLQTCMFIFG-QGZVFWFLSA-N 424.526 3.097 0 40 HGAB O=C(N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O)c1cc2ccccc2nc1O 603703319 GMQREBZNYJYFDT-QGZVFWFLSA-N 415.371 3.495 0 40 HGAB O=S1(=O)CC[C@@H](Cc2nc3ccccc3n2C[C@H](O)c2ccc(F)cc2F)C1 51290497 ZXBXRSVDKULKSZ-DJJJIMSYSA-N 406.454 3.025 0 40 HGAB CNC(=O)[C@@H](Cc1ccccc1)NC(=O)N[C@H](C)Cc1ccc(C(F)(F)F)cc1 1677075724 CVUDWJAPUOTFNP-RDTXWAMCSA-N 407.436 3.293 0 40 HGAB CC(C)N1C(=O)c2ccccc2[C@H](C(=O)N(C)C)C12CCN(Cc1ccncc1)CC2 1549166780 IOJJNGNFCRKETQ-JOCHJYFZSA-N 420.557 3.152 0 40 HGAB C[C@@H](Sc1ccccn1)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 11710228 KXQVJZBFBGPUEO-OAHLLOKOSA-N 405.545 3.376 0 40 HGAB COc1ccccc1[C@@]1(O)CCCN(C[C@@H](O)c2ccc3c(c2)CCCN3C(C)=O)C1 12291286 LFWQSCDXWXCRGA-ILBGXUMGSA-N 424.541 3.011 0 40 HGAB Cc1noc2nc(C3CC3)cc(C(=O)O[C@H](C)C(=O)Nc3ccc4c(c3)OCCO4)c12 12794035 CSRLZIUTBAFIMW-GFCCVEGCSA-N 423.425 3.364 0 40 HGAB CCn1c(=O)c2ccccc2n(CC(=O)N[C@@H](C)c2cccc3ccccc23)c1=O 13000056 KWUHBXXKMKUVRX-INIZCTEOSA-N 401.466 3.214 0 40 HGAB Cc1ccc(O[C@H](C)C(=O)N2CC[C@H](c3cc(=O)[nH]c(-c4ccncc4)n3)C2)cc1C 19214124 LDEHMACBURTFMO-MJGOQNOKSA-N 418.497 3.232 0 40 HGAB O=c1[nH]c(C2CCN(Cc3ccncc3)CC2)nc2c1CN(Cc1ccccc1)CC2 19372315 KEHXFBUXVRLVNR-UHFFFAOYSA-N 415.541 3.103 0 40 HGAB CC(C)CC(=O)N1CCO[C@](Cc2cccc(-c3cccnc3)c2)(C(=O)N(C)C)C1 19446524 DQXPISBPIKUHOA-DEOSSOPVSA-N 409.530 3.023 0 40 HGAB Cc1ccc(OCCN2CCOCC2)c(NC(=O)c2c(C)nc3c(C)cccn23)c1 19716781 GYQZRCDKIWVNNU-UHFFFAOYSA-N 408.502 3.223 0 40 HGAB Cc1nc([C@@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)ncc1C(=O)N1CCCCC1 19763157 AZFQXYBVDJVGCJ-LJQANCHMSA-N 424.520 3.499 0 40 HGAB COc1ccc([C@@H](CC(=O)NC(C)(C)C)N(C)S(=O)(=O)c2ccccc2)cc1 19935767 GVJMEWVNWMTGTQ-LJQANCHMSA-N 404.532 3.362 0 40 HGAB COc1ccc(OC)c(NC(=O)c2ccc(N3C(=O)[C@H]4[C@H]5CC[C@@H](C5)[C@H]4C3=O)cc2)c1 207516610 LFYXXXIUAYOBPF-LATRNWQMSA-N 420.465 3.492 0 40 HGAB CCc1cc(C(F)(F)F)n2nc([C@@H]3CCCN(C(=O)C4CCOCC4)C3)cc2n1 12276483 QNWBCXGYYWVOGO-CQSZACIVSA-N 410.440 3.443 0 40 HGAB Cc1cccc(C)c1OCC(=O)N1CCC(c2noc(-c3ccc(O)nc3)n2)CC1 12408019 VIJUHZPNFSEDQS-UHFFFAOYSA-N 408.458 3.239 0 40 HGAB COC(=O)C1CCN([C@H](c2cccc(C)c2)c2sc3nc(C)nn3c2O)CC1 22626317 VKPOWOAGBOMZKK-MRXNPFEDSA-N 400.504 3.088 0 40 HGAB O=C(c1cncc(Br)c1)N1C[C@@H]2CCC[C@@]2(COc2ncc(F)cn2)C1 1888879083 XSYVCKINZZNBNP-UGSOOPFHSA-N 421.270 3.095 0 40 HGAB COc1cccc(NC(=O)C(=O)c2cn(CC(=O)N3CCCC3)c3ccccc23)c1 3007637 UZDAMBBVZNAAGM-UHFFFAOYSA-N 405.454 3.094 0 40 HGAB COc1ccc(N2C[C@H](NC(=O)N[C@H]3C[C@@H](C)CC(C)(C)C3)CC2=O)cc1OC 5202058 PNWPXDZIPMVZMY-OWCLPIDISA-N 403.523 3.323 0 40 HGAB CCOc1ccccc1NC(=O)Cn1c(=O)n(C2CCCCC2)c(=O)c2cccnc21 6805166 DWUCTQCQGYFQTD-UHFFFAOYSA-N 422.485 3.101 0 40 HGAB CCCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N3CC)cc1 10063726 PFGPBVLSHZHFBM-UHFFFAOYSA-N 401.488 3.135 0 40 HGAB O=C(c1ccc(Cn2ccnc2)cc1)N1CCN(C(=O)[C@H]2C[C@H]2c2ccccc2)CC1 38732461 NYWCRDXRAFTMRN-GOTSBHOMSA-N 414.509 3.020 0 40 HGAB COC(=O)[C@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)CSc1ccc(F)cc1 206796990 WAKMHLBHXNKGMU-RHSMWYFYSA-N 407.438 3.278 0 40 HGAB NS(=O)(=O)c1ccc2nc(NC(=O)c3cccc(C(F)(F)F)c3)sc2c1 4071747 DXNYTGOJGCOTQS-UHFFFAOYSA-N 401.391 3.215 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCCC[C@H]2CC(=O)NCCc2ccccc2)cc1 15390877 ULXOAZWAIYBZNU-FQEVSTJZSA-N 400.544 3.287 0 40 HGAB Clc1ccc(-n2ncc3c(NCCCN4CCOCC4)ncnc32)cc1Cl 22628104 OCHNFYFGJYPPHI-UHFFFAOYSA-N 407.305 3.257 0 40 HGAB CSc1nnnn1-c1cccc(NC(=O)C[C@H]2c3ccccc3C=CN2C(C)=O)c1 40074058 AGTLLGUUZIYYPT-IBGZPJMESA-N 420.498 3.287 0 40 HGAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)N1CCC[C@H]1Cc1ccccc1 40098433 RBAJPXSPZQGKPS-SFHVURJKSA-N 401.532 3.484 0 40 HGAB C[C@@H](CC(=O)NCCNC(=O)c1ccc(Cl)c(Cl)c1)NC(=O)c1ccccc1 31767495 CSSUJVQWZIAMSX-ZDUSSCGKSA-N 422.312 3.048 0 40 HGAB Cc1sc2c(c1C)c1nc(-c3ccccc3)nn1c(=O)n2CC(=O)N1CCCCC1 32074160 UKPQPNPSEDXESK-UHFFFAOYSA-N 421.526 3.402 0 40 HGAB COc1ccc(Cl)cc1-n1nnnc1S[C@H]1CCc2ccccc2NC1=O 20746046 JSHCZFIPWMDUST-INIZCTEOSA-N 401.879 3.370 0 40 HGAB CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)CSc1nccn1C1CC1 29625515 JUMKYUQLFPZMSS-UHFFFAOYSA-N 412.437 3.426 0 40 HGAB COC(=O)C[C@H](NC(=O)[C@H]1Cc2ccccc2S1)c1ccc(OC)c(OC)c1 21442585 JFLRITBIFAWINU-HNAYVOBHSA-N 401.484 3.141 0 40 HGAB C[C@@H]1Cc2cc(C(=O)OCCOc3ccc(Cl)cc3)ccc2N1S(C)(=O)=O 32860367 BAQZQMUNQPMUTP-CYBMUJFWSA-N 409.891 3.286 0 40 HGAB CC1(C)O[C@@H]2O[C@@H](C(=O)Oc3cccc4ccccc34)[C@@H]3OC(C)(C)O[C@H]3[C@H]2O1 4303765 NHZBMHKKEJZBSF-VBEQINLCSA-N 400.427 3.142 0 40 HGAB O=C(c1ccccc1NS(=O)(=O)c1cc(Cl)ccc1Cl)N1CCOCC1 6362288 BFBLRSMMADIEAJ-UHFFFAOYSA-N 415.298 3.267 0 40 HGAB O=C(NCCSC1CCCCC1)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 20898404 JNYUXWRWUXTIBD-UHFFFAOYSA-N 424.632 3.411 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cccc(Cl)c3)C2)cc1 9973831 BTNGRPZABDAPJP-CQSZACIVSA-N 408.907 3.388 0 40 HGAB CCOC(=O)c1ccc(N2C[C@@H](C(=O)O[C@H](C)C(=O)c3ccc(C)cc3)CC2=O)cc1 993310 ZPUBVDYUEXJPKE-APWZRJJASA-N 423.465 3.339 0 40 HGAB CCOC(=O)c1ccc(N2C[C@H](C(=O)OCC(=O)c3ccc(C)c(C)c3)CC2=O)cc1 993317 GXSIASDZTPPLIB-LJQANCHMSA-N 423.465 3.259 0 40 HGAB O=Cc1ccc(OC(=O)c2cccc(N3C(=O)[C@H]4[C@@H]5C=C[C@H]([C@H]6C[C@H]56)[C@H]4C3=O)c2)cc1 102076014 JWJJTGFXWHTUPP-ILHTXMRTSA-N 413.429 3.276 0 40 HGAB CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N1CCC2(CC1)OCCO2 24995558 CYHJWYMDGVSENQ-MRXNPFEDSA-N 415.317 3.113 0 40 HGAB COc1ccc(CC(=O)N[C@@H](C)c2cc(O)n3nc(C4CCOCC4)cc3n2)cc1C 100769419 TWXVPMGPAUKMJZ-HNNXBMFYSA-N 424.501 3.066 0 40 HGAB COc1cccc(C(=O)N2CCN(CCOc3ccccc3Cl)CC2)c1OC 26080927 NXJLOHWJNVONPL-UHFFFAOYSA-N 404.894 3.194 0 40 HGAB O=C(COC(=O)c1ccc2c(c1)OCCO2)Nc1ccc(Br)cc1F 3228974 BBAPKPOZVCDMHG-UHFFFAOYSA-N 410.195 3.155 0 40 HGAB CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)OCC(=O)N1CCc2ccccc21 3240219 KEYTVQVMERWXTE-NRFANRHFSA-N 410.470 3.070 0 40 HGAB Cc1ccccc1NC(=O)Cn1cnc2c(cnn2-c2cc(Cl)ccc2C)c1=O 57428282 KSRHWLSUGLJTHH-UHFFFAOYSA-N 407.861 3.491 0 40 HGAB O=C(OCC(=O)N1CCCCCC1)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 3315631 NEUZGCSVQHOYGK-UHFFFAOYSA-N 416.499 3.047 0 40 HGAB COc1ccc(NC(=O)C[C@H]2C(=O)Nc3ccccc3N2C(=O)c2ccco2)cc1 27017495 IRIULJROKYADDV-SFHVURJKSA-N 405.410 3.285 0 40 HGAB COc1ccc(NC(=O)Nc2cc(N3CCCS3(=O)=O)ccc2C)cc1OC 22506071 AMWPEHCEVPJUTF-UHFFFAOYSA-N 405.476 3.196 0 40 HGAB COc1ccc(CCCNC(=O)CN(c2cccc(Cl)c2C)S(C)(=O)=O)cc1 22337223 LKERSMOTVBJSMK-UHFFFAOYSA-N 424.950 3.172 0 40 HGAB O=C(CSc1nnnn1Cc1cccs1)Nc1ccc(CN2CCCC2)cc1 10217159 DTLTYFYSSKRLMU-UHFFFAOYSA-N 414.560 3.110 0 40 HGAB CCN(CC)S(=O)(=O)c1cc(Cl)ccc1OCC(=O)N(C)Cc1ccccc1 22248829 ORKYQOUXHDYRFY-UHFFFAOYSA-N 424.950 3.408 0 40 HGAB CCOc1ccc(CNC(=O)CCCN(c2ccccc2F)S(C)(=O)=O)cc1 113965629 ZQGGIOVMVCEUTD-UHFFFAOYSA-N 408.495 3.087 0 40 HGAB O=C(CN1CCN(c2ccccc2O)CC1)NC(c1ccccc1)c1ccccc1 58450330 RQGAICTWROEQES-UHFFFAOYSA-N 401.510 3.420 0 40 HGAB CN(C)C[C@@H](CNC(=O)Nc1ccc(N2CCCCC2)nc1)[C@@H](O)c1ccccc1 48278424 CMJOFTRJPPJZHU-KNQAVFIVSA-N 411.550 3.105 0 40 HGAB COc1ccc(C(=O)N2CCN([C@H](C)c3nc(Cc4ccccc4)no3)CC2)cc1 36391973 PWRQLLWOVBDASH-QGZVFWFLSA-N 406.486 3.188 0 40 HGAB Cc1cc(N2CCN([C@@H](C)C(=O)Nc3c(F)cccc3F)CC2)nc(C(C)C)n1 12756210 BPOWCXAUNHKJNC-HNNXBMFYSA-N 403.477 3.336 0 40 HGAB CN1CCN(C(=O)CNC(=O)Cc2cccc3ccccc23)[C@H](c2ccccc2)C1 48300873 MLSOYWLGDOENTN-QHCPKHFHSA-N 401.510 3.014 0 40 HGAB O=C(NC[C@H](c1ccco1)N1CCCCC1)[C@H]1CCCN1C(=O)c1cccs1 3504273 JPLQYUUFHCUUDC-IAGOWNOFSA-N 401.532 3.289 0 40 HGAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)C(=O)c1cc(Cl)ccc1F 12920399 OBDUQLFWOWWMSB-LBPRGKRZSA-N 403.841 3.315 0 40 HGAB C[C@H](OC(=O)c1ccccc1SC(F)F)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 12921152 YIGNHXNRDFXCEK-VIFPVBQESA-N 407.398 3.355 0 40 HGAB COc1ccccc1CNC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 3615018 LEXBKJBQBKENQH-UHFFFAOYSA-N 402.516 3.190 0 40 HGAB CCCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2cccc(NC(C)=O)c2)C1=O 13097252 KFAZRLXRMYVHCS-QHCPKHFHSA-N 422.485 3.221 0 40 HGAB CCCOc1cccc(C(=O)N(Cc2ccc(OC)cc2)[C@H]2CCS(=O)(=O)C2)c1 5085193 RUPFYTBQTWKHGG-IBGZPJMESA-N 417.527 3.314 0 40 HGAB NC(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc3c(c1)OCO3)CCC2 5021278 RNPGFXAWOXBENX-GDNBJRDFSA-N 416.433 3.483 0 40 HGAB CCn1c(CC(=O)Nc2ccccc2C)nnc1S[C@H](C)C(=O)NC1CCCC1 13956661 OAVIYFRWADUSKG-OAHLLOKOSA-N 415.563 3.327 0 40 HGAB CCOC(=O)C1=C(C)Oc2ncn3nc(-c4ccccn4)nc3c2[C@@H]1c1ccco1 5345598 WZPYFKCELWLBAA-MRXNPFEDSA-N 403.398 3.141 0 40 HGAB COc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cc(C)ccc3OC)C2)cc1 409393469 WWHBNMARMUXIFM-MRXNPFEDSA-N 418.515 3.052 0 40 HGAB COc1cc(NC(=O)COc2cc(C)cc3oc(=O)cc(C)c23)cc(OC)c1OC 6661960 GOVZRAOOAUXYMJ-UHFFFAOYSA-N 413.426 3.453 0 40 HGAB COc1ccc(OCc2nnc(SCC(=O)N[C@H](C)c3ccccc3)n2C)cc1 4947521 SJRKQZRSVPFQHH-OAHLLOKOSA-N 412.515 3.372 0 40 HGAB Cn1c(S[C@@H](C(=O)N2CCOCC2)c2ccccc2)nnc1-c1ccc(F)cc1 7087184 GVUAAEFJPIHWRT-GOSISDBHSA-N 412.490 3.313 0 40 HGAB Cc1cc(C(C)(C)C)cc(C)c1Cn1nc(C)c(S(=O)(=O)N2CCOCC2)c1C 7025400 VRGLBIMKEYTXHA-UHFFFAOYSA-N 419.591 3.483 0 40 HGAB CC(=O)N[C@@]1(CC(=O)Nc2ccc(C(C)=O)cc2)C(=O)N(C(C)C)c2ccccc21 9305534 YLKYELMWTVCYIZ-HSZRJFAPSA-N 407.470 3.004 0 40 HGAB CS(=O)(=O)N(Cc1ccccc1)Cc1nc(-c2ccc(Br)cc2)no1 9409867 FURYFJQVIMEZJK-UHFFFAOYSA-N 422.304 3.461 0 40 HGAB COc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccc(F)cc3)C2)cc1 19862445 BRAFECQGPSYFLG-INIZCTEOSA-N 406.479 3.015 0 40 HGAB O=C(CN1CCC[C@@H]1c1cccs1)Nc1cc2[nH]c(=O)[nH]c2cc1Br 9671901 ALBGMNPMPDEALA-CQSZACIVSA-N 421.320 3.456 0 40 HGAB CCOc1ccc(CC(=O)OCC(=O)Nc2ccc(OC)cc2OC)cc1OCC 72330889 JQZWCUCBSIFZHJ-UHFFFAOYSA-N 417.458 3.226 0 40 HGAB COc1ccc(CCNC(=O)CCC(=O)N2CCc3[nH]c4ccccc4c3C2)cc1 20762955 ZMUWIXBMJDOOGT-UHFFFAOYSA-N 405.498 3.200 0 40 HGAB biogenic COC(=O)c1cccc(NS(=O)(=O)c2cc(Br)ccc2OC)c1C 28249486 GREOJGYKRWWVTO-UHFFFAOYSA-N 414.277 3.354 0 40 HGAB COc1ccc(Cl)cc1NC(=O)COC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 408650063 AITFXWGHCNJYHY-LBPRGKRZSA-N 420.824 3.023 0 40 HGAB CC(C)CN1CCO[C@H](CNC(=O)Cc2csc(-c3ccccc3Cl)n2)C1 28015188 AGMJGNUMKLYFTO-MRXNPFEDSA-N 407.967 3.479 0 40 HGAB Cc1ccc(S(=O)(=O)N(CC(=O)NCCC(C)C)Cc2ccccc2F)cc1 409389148 OYUIGCLSQXVFKI-UHFFFAOYSA-N 406.523 3.487 0 40 HGAB CC(C)NS(=O)(=O)c1ccc(N2CCN(Cc3ccc(C(C)C)cc3)CC2)nc1 32869552 HEXCOTDZHMVOIK-UHFFFAOYSA-N 416.591 3.214 0 40 HGAB CCOC(=O)C1=C(CN2CCCCC2)NC(=O)N[C@@H]1c1cccc(Br)c1 67286151 AQJIMNLYALWSOI-QGZVFWFLSA-N 422.323 3.106 0 40 HGAB Clc1ccc(-n2c(SCCN3CCOCC3)nnc2-c2cccnc2)cc1 35312284 ZVZPFRJBSAPASE-UHFFFAOYSA-N 401.923 3.407 0 40 HGAB O=C(CCS(=O)(=O)c1ccccc1)N1CCC(Cn2cnc3ccccc32)CC1 38533463 SPTYPPAWGCSCDK-UHFFFAOYSA-N 411.527 3.139 0 40 HGAB NC(=O)c1ccccc1NC(=O)C1CCN(Cc2ccc(Br)cc2)CC1 30946329 XXVPIGODOTVKCD-UHFFFAOYSA-N 416.319 3.399 0 40 HGAB O=C(CN1C(=O)COc2c(Cl)cccc21)NCC1(N2CCCCC2)CCCCC1 35316787 GZTISZXRQLDLOB-UHFFFAOYSA-N 419.953 3.370 0 40 HGAB Cc1ccc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)OCCO3)c2cccnc12 31095411 XUVFJZUHASFNFP-UHFFFAOYSA-N 412.467 3.117 0 40 HGAB C[C@@H]1C[C@H](OC[C@H](O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)CC(C)(C)C1 35088565 DTSWGECSRZRXQY-NRSPTQNISA-N 418.578 3.125 0 40 HGAB CC[C@@H](NC(=O)[C@H]1CN(S(C)(=O)=O)c2ccccc2O1)c1ccc(C)c(C)c1 44856574 BIBQRUPGRXEGLL-YLJYHZDGSA-N 402.516 3.098 0 40 HGAB COc1cn(-c2ccc(F)cc2)c(CSc2nnnn2-c2ccccc2)cc1=O 226795145 DBKZOOZETUSTJP-UHFFFAOYSA-N 409.446 3.253 0 40 HGAB CCOc1ccc(N(CCCC(=O)N(C)Cc2ccccc2)S(C)(=O)=O)cc1 222616214 PVLGCLBKCBZWCS-UHFFFAOYSA-N 404.532 3.290 0 40 HGAB COCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1 222841576 DELUTPDAHYXGSH-QGZVFWFLSA-N 402.922 3.453 0 40 HGAB CN(c1ccccc1C(=O)NCCOc1ccccc1)S(=O)(=O)c1ccccc1 223863428 TZFARBFIYAFNTB-UHFFFAOYSA-N 410.495 3.321 0 40 HGAB Cc1cc(S(=O)(=O)N(C)C)ccc1OCC(=O)Nc1ccc(C(F)(F)F)cc1 223049737 CKJSGUTXDRXUIK-UHFFFAOYSA-N 416.421 3.282 0 40 HGAB CS(=O)(=O)N(CC(=O)Nc1ccc(N2CCCC2)cc1)c1ccc(Cl)cc1 224904215 TZWNUGPASLIINA-UHFFFAOYSA-N 407.923 3.345 0 40 HGAB CC(C)c1ccccc1OCCNC(=O)[C@@H](C)N(c1ccccc1F)S(C)(=O)=O 223801120 AZDMVAKTZLXVDZ-MRXNPFEDSA-N 422.522 3.299 0 40 HGAB Cc1ccc(C(=O)NCc2ccc(CN3CCCCC3)cc2)cc1NS(C)(=O)=O 43523496 YOUQWUPGWBLFOA-UHFFFAOYSA-N 415.559 3.282 0 40 HGAB CCOc1ccc(C(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)cc1Cl 225395236 AVPHFENLKPXLQY-UHFFFAOYSA-N 408.907 3.192 0 40 HGAB COc1ccc(N2C(=O)[C@H]3[C@H]4C[C@@H]([C@@H]5ON=C(c6ccc(C)cc6)[C@@H]45)[C@H]3C2=O)cc1 248106204 QUTVFXKBAUWMRT-FYQGMOLJSA-N 402.450 3.178 0 40 HGAB Cc1ccc(OC[C@]2(O)CCCN(CC(=O)NCc3cccc(F)c3)CC2)cc1 257334548 YGJUHAADGLMPOA-QHCPKHFHSA-N 400.494 3.046 0 40 HGAB Cc1nccc(=NCc2cccc(C(=O)N=c3cc(-c4cc(F)cc(F)c4)[nH][nH]3)c2)[nH]1 542653862 BFNNBSFXORISET-UHFFFAOYSA-N 420.423 3.162 0 40 HGAB O=C(Nc1cccc(S(=O)(=O)c2ccccc2)c1)N[C@H]1Cc2ccccc2NC1=O 1626528472 CNPGPDDBFUWDPM-FQEVSTJZSA-N 421.478 3.204 0 40 HGAB Cc1cc(C)nc(Nc2nccnc2C2CCN(C(=O)/C=C/c3ccco3)CC2)n1 585292893 UCDQVHVHAPXTKW-AATRIKPKSA-N 404.474 3.639 0 40 HGAB CN(C)C(=O)CN1CCC[C@]12CCCN(C(=O)c1cc3ccccc3cc1O)CC2 585100772 WCMFSOKUSAMFIC-DEOSSOPVSA-N 409.530 3.094 0 40 HGAB Cc1cccnc1Nc1cncc(C2CCN(CC(=O)Nc3ccccc3F)CC2)n1 585176636 SPCUZYYTOWVRFG-UHFFFAOYSA-N 420.492 3.881 0 40 HGAB O=C(C[C@H]1CCCCN1S(=O)(=O)c1ccccc1)NCc1c(F)cccc1F 11612673 IYVPNMGSYKFEAM-OAHLLOKOSA-N 408.470 3.215 0 40 HGAB O=C(c1ccc(Cn2cccn2)o1)N1CCC[C@@H](c2ncncc2-c2ccncc2)C1 12088576 QDSROYHSMAMZTL-GOSISDBHSA-N 414.469 3.396 0 40 HGAB Cc1cc(-c2cnc(N3CCCC3)nc2C2CCN(Cc3ccnn3C)CC2)on1 12232383 BRXIPNNXKDXUCV-UHFFFAOYSA-N 407.522 3.153 0 40 HGAB COc1ccc2c(c1)OC1(CCN(C[C@H](O)c3ccc4c(c3)CCO4)CC1)C[C@H]2O 12329309 YUPQQSBWLXTTIU-RTWAWAEBSA-N 411.498 3.014 0 40 HGAB Cc1ccc(CSc2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2cccc(C)c2)cc1 12531987 IRAXZCXNTXIKBT-UHFFFAOYSA-N 406.511 3.381 0 40 HGAB CNS(=O)(=O)Cc1ccccc1CNC(=O)c1ccccc1Cc1ccccc1 12894366 NQXJVKMONKVWOL-UHFFFAOYSA-N 408.523 3.257 0 40 HGAB COc1ccc(F)cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2cccc(C)c2)C1 13580593 SVLOENVKNSFQEJ-OAHLLOKOSA-N 406.479 3.182 0 40 HGAB Cc1ccccc1[C@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 14936331 BHZNVQIBJBSVSH-IRXDYDNUSA-N 404.507 3.412 0 40 HGAB COc1ccc(CCNC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc1 15940515 SBSHGMSNJGRQMO-UHFFFAOYSA-N 411.527 3.164 0 40 HGAB CN(C)[C@H](CNC(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)c1ccccc1 16599003 HIWFJRKLLVHKOM-QGZVFWFLSA-N 424.570 3.215 0 40 HGAB CCOc1ccn(CC(=O)/N=c2/cc(-c3ccc(Cl)cc3)ss2)c(=O)n1 17025147 PBFUHCLGAGJFQQ-MNDPQUGUSA-N 407.904 3.213 0 40 HGAB CCCCCC(=O)NC(=S)Nc1ccc(N2CCN(C(C)=O)CC2)c(Cl)c1 17088740 BOTIPFHALZDCJF-UHFFFAOYSA-N 410.971 3.402 0 40 HGAB CCOc1ccccc1C(=O)NCC(=O)N(C)Cc1ccc(OC(F)F)c(OC)c1 17958191 TVAYKPVHNGCQNM-UHFFFAOYSA-N 422.428 3.084 0 40 HGAB O=C(CN1C(=O)COc2ccc(C(=O)c3cccs3)cc21)NCc1ccccc1 19372668 VPMRAPHDDKKEGN-UHFFFAOYSA-N 406.463 3.021 0 40 HGAB Cc1noc(C)c1CC(=O)N1CCC(c2nc3cnccn3c2NC(C)(C)C)CC1 19580313 AERCQRAHTBYEPW-UHFFFAOYSA-N 410.522 3.493 0 40 HGAB CC(C)(C)[C@@H](Cn1ccnc1)NC(=O)c1cc(N2CCOCC2)nc2ccccc12 19666996 OWHCXDSXUNCYBF-HXUWFJFHSA-N 407.518 3.113 0 40 HGAB C[C@@H](c1cc(=O)[nH]c(N[C@@H]2CCOc3ccccc32)n1)n1ncc2ccccc2c1=O 19717483 DVTBVCXVVQGGKE-KBXCAEBGSA-N 415.453 3.025 0 40 HGAB C[C@@H](CN(C)C(=O)c1ccc(=O)n(CC(=O)N(C)c2ccccc2)c1)c1ccccc1 19749202 LDVMGLSOOAZCBR-IBGZPJMESA-N 417.509 3.387 0 40 HGAB O=C(CN1CC[C@H]2CN(c3ccccn3)C[C@H]21)N1CCC(Cc2ccccc2)CC1 1889205624 GKZOACNUDTZFII-XZOQPEGZSA-N 404.558 3.073 0 40 HGAB CC(C)[C@H]1N=C2c3ccccc3N=C(SCC(=O)NCc3ccccc3)N2C1=O 2965428 SHKVHMIBGYDUHQ-LJQANCHMSA-N 406.511 3.351 0 40 HGAB CCOc1ccccc1[C@H]1CC(c2cccc(NS(C)(=O)=O)c2)=NN1C(C)=O 4036315 VRAMDBLYJYXVBQ-LJQANCHMSA-N 401.488 3.154 0 40 HGAB COc1cccc(NC(=O)COc2coc(CN3CCc4ccccc43)cc2=O)c1 4304394 ASYPNOGCBPTZNR-UHFFFAOYSA-N 406.438 3.229 0 40 HGAB COc1ccc(CCN[C@@H](CC(=O)Nc2cccc(C(F)(F)F)c2)C(=O)O)cc1 5258049 FDJMBCKSFGHYSR-KRWDZBQOSA-N 410.392 3.328 0 40 HGAB O=S(=O)(NCCc1csc2nc(-c3cccc(F)c3)nn12)c1ccccc1 15783960 NKAPRUKNPWDFGA-UHFFFAOYSA-N 402.476 3.118 0 40 HGAB Cc1nc2sc([C@@H](c3ccco3)N3CCN(c4ccccc4F)CC3)c(O)n2n1 23158140 QFZYHUIMUQVDLH-QGZVFWFLSA-N 413.478 3.449 0 40 HGAB COc1ccc(C)c2sc(N3CCN(c4cncc(-c5cnn(C)c5)n4)CC3)nc12 2298245815 IDJAWOFOVVBQKC-UHFFFAOYSA-N 421.530 3.130 0 40 HGAB COC(=O)C[C@H](NC(=O)CCc1ccc(OC)c(OC)c1)c1ccc(OC)cc1 40009865 DCMIXEHTYMKGFG-SFHVURJKSA-N 401.459 3.066 0 40 HGAB CCc1ccc([C@H](C)NC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 40096650 PMOUHAHTQQUTJQ-INIZCTEOSA-N 417.531 3.153 0 40 HGAB Cn1ccnc1COc1ccc(CN2CCN(CCOc3ccccc3)CC2)cc1 40135431 REEQZMDTKYMCSC-UHFFFAOYSA-N 406.530 3.196 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3C)CC2)cc1OC 806886 RCQZMJZQJGSPOQ-UHFFFAOYSA-N 418.515 3.052 0 40 HGAB COc1ccc(-n2nc3ccc(NC(=S)NC(=O)Cc4ccccc4)cc3n2)cc1 1408940 GVEXQUBCLVLFAV-UHFFFAOYSA-N 417.494 3.485 0 40 HGAB CCOc1ccc(-c2nnc(SCC(=O)Nc3cccc(Cl)c3)n2N)cc1 2361892 LWRCUCJQPXTGPT-UHFFFAOYSA-N 403.895 3.442 0 40 HGAB CCOc1ccc(-c2nnc(SCC(=O)Nc3ccc(C)c(F)c3)n2N)cc1 2387738 ZXUSKPZWCKDODP-UHFFFAOYSA-N 401.467 3.236 0 40 HGAB O=C(COC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccc(F)cc1 3228070 UMRXOGGHCRREIH-UHFFFAOYSA-N 405.447 3.040 0 40 HGAB O=C(Oc1ccc2c(c1)OCO2)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 3281548 ZRXGXSBTEXOIEG-IBGZPJMESA-N 415.401 3.228 0 40 HGAB C[C@@H](Sc1cccc(C(F)(F)F)c1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 3343918 KDANAPKHNXNSFC-SNVBAGLBSA-N 404.435 3.472 0 40 HGAB CCNC(=S)N(Cc1ccccc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 4160493 FHGMOVJPAICZGC-UHFFFAOYSA-N 409.511 3.196 0 40 HGAB Cc1csc2nc(-c3cccc(NC(=O)c4ccc(S(N)(=O)=O)cc4)c3)cn12 4249058 YZWDYRFWOPJDCG-UHFFFAOYSA-N 412.496 3.271 0 40 HGAB O=C(COC(=O)c1cc2c(s1)-c1ccccc1OC2)NC(=O)NC1CCCC1 4494996 QEVFIJLQCHNPCF-UHFFFAOYSA-N 400.456 3.233 0 40 HGAB CCOC(=O)C[C@@H](NS(=O)(=O)c1cc(F)ccc1OC)c1ccccc1Cl 4751647 YQDINXNBUIKJBW-OAHLLOKOSA-N 415.870 3.461 0 40 HGAB CCOC(=O)c1c(NC(=O)COC(=O)CCC2CCCC2)sc(C(=O)NC)c1C 5617280 VDFHQQVQWKCWOA-UHFFFAOYSA-N 424.519 3.045 0 40 HGAB Cc1cccc(NC(=S)N2CCN(S(=O)(=O)c3cc(C)ccc3C)CC2)c1 6333429 JVIGVYWIUFTSIW-UHFFFAOYSA-N 403.573 3.315 0 40 HGAB CCOCCCNC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(Cl)cc1 6350676 RSJWLTPPRGWGOO-UHFFFAOYSA-N 424.950 3.387 0 40 HGAB CCCOc1ccc(S(=O)(=O)N2CCN(c3ccccc3OC)CC2)cc1C 7572425 XJBPHZASYMVEHF-UHFFFAOYSA-N 404.532 3.303 0 40 HGAB COc1cc(C)ccc1OC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 7747635 IOJGKLAKJOPKOS-HOTGVXAUSA-N 419.499 3.021 0 40 HGAB C[C@@H](NCC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccco1 7802978 OFHDIOZWNBMXMP-MRXNPFEDSA-N 405.520 3.134 0 40 HGAB CCOc1ccc(NC(=O)CSc2nnc(C[C@@H](C)O)n2-c2ccccc2)cc1 8816269 ACBHUDWCTQUFQZ-OAHLLOKOSA-N 412.515 3.320 0 40 HGAB COc1ccc(CCS(=O)(=O)Nc2ccc3c(c2)CN(C(=O)C(C)C)CC3)cc1 8977144 CZSQZYFOSLXLKN-UHFFFAOYSA-N 416.543 3.220 0 40 HGAB Cc1ccccc1NC(=O)C(=O)NCCc1csc2nc(-c3ccc(F)cc3)nn12 9569008 UCYDHUBUTRIYPC-UHFFFAOYSA-N 423.473 3.203 0 40 HGAB CCn1c(C)c(C(=O)Cn2cnc3cc(C(=O)OC)ccc3c2=O)c2ccccc21 10009816 UYJPNPUTNQTGJD-UHFFFAOYSA-N 403.438 3.349 0 40 HGAB CCOc1ccc(S(=O)(=O)NCCC(=O)Nc2ccc(F)c(Cl)c2)cc1 10321464 GPUVLRVWHFYXTI-UHFFFAOYSA-N 400.859 3.185 0 40 HGAB NC(=O)c1ccccc1OCC(=O)N1N=C(/C=C/c2ccco2)C[C@H]1c1ccco1 11320853 TXYCVKOHPQRYAA-BBVFFXRHSA-N 405.410 3.393 0 40 HGAB COc1ccccc1-c1ocnc1C(=O)N1CCC[C@@H]1c1cc2nc(C)cc(O)n2n1 12154083 VMDTZIFSFHXLCO-MRXNPFEDSA-N 419.441 3.384 0 40 HGAB NC(=O)CSc1nc(-c2ccccc2)c(NC(=O)c2ccc3c(c2)OCO3)s1 12442849 UVIXJIYQIKGCJU-UHFFFAOYSA-N 413.480 3.369 0 40 HGAB Cc1c(/C=C(\C(=O)O)c2ccc(S(=O)(=O)N3CCCCC3)s2)cc(C#N)n1C 12566308 YVDVRRVSDFYMMW-WJDWOHSUSA-N 419.528 3.067 0 40 HGAB O=c1c(-c2ccccc2)[n+]([O-])c2ccccc2n1C[C@@H](O)COc1ccc(Cl)cc1 12916067 KPGCZIRRYJCLTG-GOSISDBHSA-N 422.868 3.395 0 40 HGAB Cc1sc2nc(N3CCN(C(=O)Oc4ccccc4)CC3)n3ncnc3c2c1C 13623865 VRHZZFMTGSQZPW-UHFFFAOYSA-N 408.487 3.277 0 40 HGAB CC[C@H](C(=O)Nc1ccc(NC(C)=O)cc1)N(c1ccc(C)cc1)S(C)(=O)=O 13713622 HVORZNXAZUOYME-LJQANCHMSA-N 403.504 3.137 0 40 HGAB CC[C@@H](C(=O)NCCc1ccc(OC)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O 13714369 COZGOCYTKYIPEJ-IBGZPJMESA-N 424.950 3.252 0 40 HGAB O=C(CN1C(=O)CC2(CCCC2)C1=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 14199748 OPPIAUUIXRHIOR-OAHLLOKOSA-N 411.527 3.322 0 40 HGAB CC(=O)Nc1ccc(S(=O)(=O)Nc2ccn(Cc3ccc(Cl)cc3)n2)cc1 14222123 TYROPJNRSMYLQY-UHFFFAOYSA-N 404.879 3.344 0 40 HGAB O=C(Nc1ccccc1Cl)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 14373322 BKUSKPXCWIQSSB-UHFFFAOYSA-N 415.298 3.267 0 40 HGAB NC(=O)c1ccc(COC(=O)[C@@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)cc1 16116408 AJLOVYFNZCGJQV-BSFBHTCNSA-N 410.514 3.036 0 40 HGAB COc1ccc(S(=O)(=O)N[C@@H](CCSC)C(=O)Nc2ccc(C)cc2)cc1 16597949 OHUDFTBIMJLQNX-SFHVURJKSA-N 408.545 3.042 0 40 HGAB COc1ccc(-c2noc(CSc3nc4ccsc4c(=O)n3C)n2)c(OC)c1 16843312 ONUXGZAYICAMIL-UHFFFAOYSA-N 416.484 3.355 0 40 HGAB CC[C@@H](C(=O)Nc1ccc(Br)cc1F)n1c(=O)[nH]c2ccccc2c1=O 17043705 NOWKNCUSFPATCY-HNNXBMFYSA-N 420.238 3.181 0 40 HGAB Cn1ccnc1C1(O)[C@H]2CCC[C@@H]1CN(Cc1cccc(OC[C@@H]3CCCO3)c1)C2 19291397 VBYBSMIWUJDFDW-XTBGBBATSA-N 411.546 3.098 0 40 HGAB CCOc1cc(CN2[C@H]3CC[C@@H]2c2cnc4cc(C)nn4c2C3)ccc1OCCO 19532272 UEPBCOVFTZFZPB-PKOBYXMFSA-N 408.502 3.069 0 40 HGAB COCC(=O)N1CC[C@](Cc2ccc(-c3ccccc3)cc2)(C(=O)N2CCCC2)C1 19592703 POVXUKKRIQNTER-RUZDIDTESA-N 406.526 3.384 0 40 HGAB O=C(N[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)c1cc(COc2ccccc2F)on1 19663125 LPLXAMXUOOEDBI-CQSZACIVSA-N 413.380 3.067 0 40 HGAB CCCCCn1c(=O)[nH]c(=O)c2c3c(cnc21)C(=O)C[C@@H](c1ccc(OC)cc1)C3 19821187 CLUQKZMGHCREEO-HNNXBMFYSA-N 407.470 3.196 0 40 HGAB Cc1ccc(C)c([C@@H](C)NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)N(C)C)c1 20244313 BXFLHOVNYNNDCQ-LJQANCHMSA-N 417.575 3.410 0 40 HGAB Cc1ccc(C(=O)Nc2nnc(SCc3cc(=O)n4oc(C)cc4n3)s2)cc1 20984487 FMBRDDLYXLLIIH-UHFFFAOYSA-N 413.484 3.300 0 40 HGAB Cc1cccc(CCCNC(=O)CN(c2c(C)cc(C)cc2C)S(C)(=O)=O)c1 22394527 CPATVGALQOOLMQ-UHFFFAOYSA-N 402.560 3.435 0 40 HGAB Cn1ccnc1C(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)cc1 23270370 MMGDPRSREGBKLL-HNNXBMFYSA-N 422.872 3.296 0 40 HGAB CNC(=O)c1cccc(NC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)c1 24039521 IIEXWQNNIPPVLJ-UHFFFAOYSA-N 412.449 3.057 0 40 HGAB COc1cc(OC)c(OC)cc1CNS(=O)(=O)c1cccc(OC(F)(F)F)c1 24373465 OKXLIKMSTMLILX-UHFFFAOYSA-N 421.393 3.090 0 40 HGAB CN1CCN(S(=O)(=O)c2cccc(C(=O)Oc3ccc(C(C)(C)C)cc3)c2)CC1 24756011 CJAWOSYXCJAIKK-UHFFFAOYSA-N 416.543 3.139 0 40 HGAB CCS(=O)(=O)c1ccc(O)c(NC(=O)CS[C@H](C)c2nc3ccccc3[nH]2)c1 24764973 UFPURSUGPRXLAY-GFCCVEGCSA-N 419.528 3.495 0 40 HGAB O=C(CNC1=NS(=O)(=O)c2ccccc21)Nc1ccccc1Oc1ccccc1 25986261 VYHYSMNWMAOTOP-UHFFFAOYSA-N 407.451 3.156 0 40 HGAB Cc1nc2c(cnn2C(C)C)cc1C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 28635304 YIKHGIADLSLRLQ-UHFFFAOYSA-N 421.501 3.007 0 40 HGAB Cc1ccccc1C(=O)N1CCC(C(=O)O[C@@H](C)C(=O)N(C)c2ccccc2)CC1 32670157 SXQKCPORIAMEJM-SFHVURJKSA-N 408.498 3.442 0 40 HGAB CCN1CCN(c2ccccc2NC(=O)Cc2cc(Cl)c3c(c2)OCCO3)CC1 32847904 ZUOZMXPFXQCIMG-UHFFFAOYSA-N 415.921 3.434 0 40 HGAB CCc1ccc(CNC(=O)[C@H](NC(=O)c2cc(OC)cc(OC)c2)C(C)C)s1 32930290 YFKKQAVJYVDVEV-LJQANCHMSA-N 404.532 3.399 0 40 HGAB CN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 32982300 XNDNSFWNJMEKPQ-KRWDZBQOSA-N 406.935 3.399 0 40 HGAB O=C(CCN1C(=O)S/C(=C\C=C\c2ccccc2)C1=O)NCCCn1ccnc1 33589041 LZIXYFUFJQYCAL-PZLZUMHWSA-N 410.499 3.072 0 40 HGAB O=C(NCC1(N2CCOCC2)CCCCC1)c1cccc(OC[C@H]2CCCO2)c1 40047164 INTLDAKPZALIEZ-OAQYLSRUSA-N 402.535 3.009 0 40 HGAB CC1(C)Cc2c(sc3c2c(N)nc(=O)n3CC(=O)c2ccc(Cl)cc2)CO1 40284332 GUCKYRKKNGSXFZ-UHFFFAOYSA-N 403.891 3.428 0 40 HGAB Cc1ccc(C)c(NC(=O)[C@H]2CC(=O)Nc3nc(Nc4ccc(F)cc4)[nH]c(=O)c32)c1 40399758 RFVZHEVCVBQSNM-HNNXBMFYSA-N 421.432 3.334 0 40 HGAB CCCSc1ncc(Cl)c(C(=O)NCCC(=O)NCc2ccc(OC)cc2)n1 41155463 BNIWYVNKIYJAJS-UHFFFAOYSA-N 422.938 3.077 0 40 HGAB Cc1nc2c(sc3ncccc32)c(=O)n1CC(=O)NCCc1ccc(Cl)cc1 46153713 NYENIFGCLSRLEI-UHFFFAOYSA-N 412.902 3.327 0 40 HGAB CN1CCCN(c2ccc(CNC(=O)c3csc(-c4cccs4)n3)cn2)CC1 48234136 JRVNNEINCZODMO-UHFFFAOYSA-N 413.572 3.339 0 40 HGAB COc1cc(NC(=O)N[C@H](C)CN2CCCC2=O)ccc1NC(=O)OC(C)(C)C 48302343 CCOZYCNMCCMLMV-CYBMUJFWSA-N 406.483 3.175 0 40 HGAB COc1ccc(Nc2nc(N3CCN(Cc4ccccc4)CC3)nc3[nH]cnc23)cc1 49029860 NYPZOOYCFIXRJS-UHFFFAOYSA-N 415.501 3.427 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCCN(CC(=O)c3c[nH]c4ccccc34)CC2)cc1 52710815 KISPHUBZNXDAPU-UHFFFAOYSA-N 411.527 3.056 0 40 HGAB O=C(NCCC(=O)N1CCc2[nH]c3c(Br)cccc3c2C1)c1ccco1 55731180 GRFIVPKNDCGFEJ-UHFFFAOYSA-N 416.275 3.228 0 40 HGAB Cc1nc(N2CCN(CC(=O)N3CCCC3)CC2)c2c(-c3ccccc3)csc2n1 58160548 JZNQHXGDPDHEIK-UHFFFAOYSA-N 421.570 3.411 0 40 HGAB O=C(c1ccc(CN2CCCCC2)cc1)N1CCC[C@@H](c2ccnc3ncnn23)C1 72334866 LPIVCUXDKPMBIB-HXUWFJFHSA-N 404.518 3.130 0 40 HGAB CCn1ncc(C(=O)N2CC[C@H](n3nc(-c4cccs4)ccc3=O)[C@@H](C)C2)c1C 72335403 YXGPZHRVOLNYCW-KSSFIOAISA-N 411.531 3.220 0 40 HGAB COc1ccc(NC(=O)CN2CCC[C@@H]2c2ccc(Nc3ncccn3)cn2)cc1 72353000 ASDPGRRCJOKZOJ-HXUWFJFHSA-N 404.474 3.399 0 40 HGAB COCCc1ncc(CN2CCC[C@H](c3cc(-c4cncnc4)cc(C)n3)C2)cn1 72353759 CLAJJLNLRRIBFQ-IBGZPJMESA-N 404.518 3.206 0 40 HGAB COc1ccc(CN2[C@H]3CC[C@@H]2c2c(nc(C)nc2NC[C@H]2CCCO2)C3)cc1CO 72373160 JFZBOIGZVMQSDI-QKNQBKEWSA-N 424.545 3.139 0 40 HGAB CC(C)COc1ccccc1[C@@H](CC(C)C)NC(=O)C(=O)Nc1cccn(C)c1=O 95410001 WNXDGFMVIBZEEC-LJQANCHMSA-N 413.518 3.262 0 40 HGAB COC(=O)C[C@@H](c1cnn(C)c1)c1c(O)cc(O)c2c(=O)cc(-c3ccccc3)oc12 96115049 QPZFSZUCTXMANN-HNNXBMFYSA-N 420.421 3.300 0 40 HGAB biogenic COc1ccc(C(=O)N2CC[C@H]3N(C)CC[C@@]3(C(=O)Nc3ccccc3)CC2)cc1 96145272 MCKGKTOIUPVURY-ZJSXRUAMSA-N 407.514 3.260 0 40 HGAB CC(C)CNC(=O)C[C@@H]1CC2(CCN(S(=O)(=O)C3CC3)CC2)Oc2ccccc21 96243347 RLKKCIBFTONPSW-QGZVFWFLSA-N 420.575 3.042 0 40 HGAB COc1ccc(OC)c(N([C@H](C)C(=O)NC2CCCCCCC2)S(C)(=O)=O)c1 220218211 XBHZLYLCHLMPRP-OAHLLOKOSA-N 412.552 3.087 0 40 HGAB CC[C@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)COc1ccccc1Cl 223447120 YFNHSJMZLUKAOI-GOSISDBHSA-N 404.894 3.281 0 40 HGAB CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccn(-c2ccccc2)c1 223672618 ZRZBKBXRMPWLRK-NHCUHLMSSA-N 406.511 3.408 0 40 HGAB Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)NC[C@H](C)c2ccccc2)CC1 224347345 BQMNZTQMZZSTIJ-IBGZPJMESA-N 414.571 3.457 0 40 HGAB Cc1cccc(CS(=O)(=O)N2CCC(C(=O)NCCc3ccc(F)cc3)CC2)c1 224349263 SKLFNIHIHPAYLM-UHFFFAOYSA-N 418.534 3.035 0 40 HGAB CCc1ccc([C@H](C)NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)N(C)C)cc1 224831091 FLLNWSXSPQWZPC-SFHVURJKSA-N 417.575 3.356 0 40 HGAB Cc1cc(C)c(C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCN(C)CC3)c2)cc1C 225651395 XEJSKVUOJGITIC-UHFFFAOYSA-N 415.559 3.109 0 40 HGAB COc1ccc(S(=O)(=O)NCc2nc(-c3ccccc3Cl)no2)c(C)c1C 225798247 ZDLXFMFITOFHHJ-UHFFFAOYSA-N 407.879 3.494 0 40 HGAB CNC(=O)c1cnn2c([C@H]3CCCCN3C(=O)c3cnc4ccccc4c3)ccnc12 257303294 SGQGIVZZFJNCII-LJQANCHMSA-N 414.469 3.005 0 40 HGAB CC(C)C[C@]1(O)CCN(S(=O)(=O)c2ccccc2)C[C@@H]1Oc1cccc(F)c1 257307382 SYJDSKGMHIJYKQ-LEWJYISDSA-N 407.507 3.445 0 40 HGAB COc1ccccc1C(=O)N1CCC2(CC1)CO[C@@H]([C@@]1(C)CC[C@@H](C(C)(C)O)O1)C2 257321850 WDNOIKADGNRFJQ-MIZPHKNDSA-N 417.546 3.415 0 40 HGAB Cn1nc(-c2cccs2)cc1C(=O)N1CC[C@H](c2cccs2)S(=O)(=O)CC1 390829749 GHONGZSYQMLURC-QGZVFWFLSA-N 421.569 3.212 0 40 HGAB CC(=O)Nc1cc(S(=O)(=O)Nc2ccccc2N2C[C@H](C)O[C@@H](C)C2)ccc1C 606145979 SOBFWENFJMWGSI-HOTGVXAUSA-N 417.531 3.368 0 40 HGAB Cc1cc2n(n1)C1(CCN(C(=O)c3ccccc3)CC1)CC(=O)N2Cc1ccncc1 1772596384 CDKYJFSTUFWALE-UHFFFAOYSA-N 415.497 3.155 0 40 HGAB Cc1cc(CN2C(=O)CC3(CCN(Cc4ccc(F)cc4)CC3)n3nccc32)no1 1772596468 JXNLARJNRSLAEJ-UHFFFAOYSA-N 409.465 3.247 0 40 HGAB CCOc1ccc2cc(-c3nn(CC4CCN(C)CC4)c4ncnc(N)c34)ccc2n1 1775937524 AWJAAKKEYXUCFY-UHFFFAOYSA-N 417.517 3.364 0 40 HGAB CN(C(=O)c1cc[nH]n1)[C@@H]1CCC[C@@H](Nc2ccccc2Cc2ccccc2)[C@@H]1O 1848357381 SZCWYYHGTPOWMQ-MZYLBHOOSA-N 404.514 3.467 0 40 HGAB CCN(Cc1ccc(OC)c(F)c1)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(C)=O 8344642 SAZCJXRRXFQKHJ-OAQYLSRUSA-N 411.477 3.412 0 40 HGAB CCOC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(-c3ccncc3)n2CC)c1C 2636132 OPWICCHHTJNNTF-UHFFFAOYSA-N 413.503 3.457 0 40 HGAB COc1ccc(NCc2nnc(SCC(=O)Nc3ccccc3OC)o2)cc1 925129 WMAHKVKIDNMJLV-UHFFFAOYSA-N 400.460 3.430 0 40 HGAB COc1ccc(-c2nn(CN3C[C@H](C)O[C@H](C)C3)c(=S)n2C[C@H]2CCCO2)cc1 102182535 GDHNBGQRAPLEDW-JTDSTZFVSA-N 418.563 3.335 0 40 HGAB CCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1nc(-c2ccc(OC)cc2)c(C)s1 32784611 FAKQEBNSBMJVJU-MRXNPFEDSA-N 423.560 3.270 0 40 HGAB C[C@H](CNS(=O)(=O)c1ccccc1Br)N1CCc2sccc2C1 32825756 BUAFODCHZAGIQZ-GFCCVEGCSA-N 415.378 3.236 0 40 HGAB CCN(c1ccc(C)cc1)S(=O)(=O)c1nnc(NC(=O)c2ccccc2)s1 6818349 STJHUCNKXUYRNX-UHFFFAOYSA-N 402.501 3.314 0 40 HGAB CCOC(=O)C1=C(CN(C)[C@@H]2CCCc3ccccc32)NC(=O)N[C@@H]1c1ccco1 57704364 JVIBEVQYMAWWOF-WIYYLYMNSA-N 409.486 3.460 0 40 HGAB O=C(NC1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccc(-n2ccnc2)nc1 47121280 SOGUANIOQAGBHY-UHFFFAOYSA-N 416.407 3.080 0 40 HGAB O=C(CCc1ncc(-c2ccc(F)cc2)o1)N1CCN(C(=O)c2ccccc2)CC1 22191239 SZDRDGNLHVFXCF-UHFFFAOYSA-N 407.445 3.398 0 40 HGAB O=C(NCCCc1nc2ccccc2[nH]1)c1occc1CS(=O)(=O)c1ccccc1 22283585 ZOYMXZUBQNLOOM-UHFFFAOYSA-N 423.494 3.492 0 40 HGAB O=C(C[C@H](CN1CCN(Cc2cccc(Cl)c2)CC1)C(=O)O)Nc1ccccc1 61720045 NGYLTAAUUAIWIG-GOSISDBHSA-N 415.921 3.187 0 40 HGAB Cn1c(=O)c2c(nc(Cl)n2CCSc2cc(Cl)ccc2Cl)n(C)c1=O 9499970 NFMQWMCWYBDRDQ-UHFFFAOYSA-N 419.721 3.186 0 40 HGAB COc1ccccc1CSc1nnc(Nc2cc(Cl)ccc2C)c(=O)n1N 28536000 AEIVNDYLQSDICQ-UHFFFAOYSA-N 403.895 3.358 0 40 HGAB O=C(C[C@H]1C(=O)OCCN1Cc1ccccc1)Nc1ccc(Br)cc1 54253919 FUPLCJVYROLYSO-KRWDZBQOSA-N 403.276 3.205 0 40 HGAB COc1ccc(-n2c(SCC(N)=O)nc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 947736 IDXSIRAISVVOIM-LLVKDONJSA-N 415.540 3.158 0 40 HGAB CCOC(=O)c1ccc(N[C@H]2SC(=O)N(Cc3cccc(C(=O)O)c3)C2=O)cc1 1248455 QNHAAQLRLRPPBH-INIZCTEOSA-N 414.439 3.195 0 40 HGAB COc1ccc(CCCNC(=O)CN(c2c(C)cc(C)cc2C)S(C)(=O)=O)cc1 22401268 PZNOHHCXFABAHS-UHFFFAOYSA-N 418.559 3.135 0 40 HGAB CC(=O)N1CCc2nc3cc([C@H]4CCCCN4Cc4ccccc4C)nn3c(O)c2C1 100242976 FKYNTFFEZVIMGE-JOCHJYFZSA-N 419.529 3.375 0 40 HGAB Cc1cc(/C=C/C(=O)Nc2ccc(CS(N)(=O)=O)cc2)c(C)n1Cc1ccco1 12771400 SEHHXQDCUMAMAA-JXMROGBWSA-N 413.499 3.187 0 40 HGAB O=C(CN1CCC(C(=O)c2ccccc2)CC1)Nc1ccc(N2CCCC2=O)cc1 10833146 STIBZCIGDDWKTD-UHFFFAOYSA-N 405.498 3.347 0 40 HGAB Cn1nc(C(=O)N2CCOCC2)cc1C(=O)Nc1ccccc1Sc1ccccc1 36612395 XMXXFCZPUQVMCB-UHFFFAOYSA-N 422.510 3.296 0 40 HGAB CCCCCCn1nc(C(=O)OCC(=O)Nc2cc(C)on2)c2ccccc2c1=O 3485664 LAYHIMLTTFBEBP-UHFFFAOYSA-N 412.446 3.069 0 40 HGAB CCOC(=O)c1ccc(NC(=O)CN(c2ccc(C)cc2)S(C)(=O)=O)c(Cl)c1 22432289 OZXUWQGELVGUFA-UHFFFAOYSA-N 424.906 3.230 0 40 HGAB O=C(NCCc1ccc(F)cc1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 12905247 QUCQSVALKUMRBM-AWEZNQCLSA-N 416.927 3.053 0 40 HGAB CCCCN(C)C(=O)c1nc(-c2ccnn2-c2cccc(OC)c2)n2ccncc12 306125049 CFUFUCZLRZRQMI-UHFFFAOYSA-N 404.474 3.463 0 40 HGAB C[C@H](OC(=O)c1ccc2ccccc2n1)C(=O)Nc1ccc(N2CCOCC2)cc1 4057910 LNBYALUCEVJGOK-INIZCTEOSA-N 405.454 3.255 0 40 HGAB C[C@H](NC(=O)COc1ccc(Br)cc1F)c1ccc(-n2cncn2)cc1 18158058 NVFQOSMISMCYIW-LBPRGKRZSA-N 419.254 3.425 0 40 HGAB Cc1cc(C)c([C@@H](C)NC(=O)CN(Cc2ccc(F)cc2)S(C)(=O)=O)cc1C 22536428 ZOYGJRMZAZJRBM-QGZVFWFLSA-N 406.523 3.390 0 40 HGAB O=S(=O)(NCc1ccc(COCC(F)(F)F)cc1)c1ccc2c(c1)OCCO2 14099667 IUIRDEQQBAJCAO-UHFFFAOYSA-N 417.405 3.015 0 40 HGAB C[C@@H]1c2ccsc2CCN1C(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 14180209 HDLRHCQOLVQFHR-OAHLLOKOSA-N 404.557 3.295 0 40 HGAB CCOC(=O)c1c(C)[nH]c(C(=O)O[C@H](C)C(=O)Nc2cccc(C(C)=O)c2)c1C 4549562 JFBBIWIGEVUHCS-CQSZACIVSA-N 400.431 3.195 0 40 HGAB COc1ccccc1CN(C)C(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1 6509939 SXCYZANGBKBTNE-UHFFFAOYSA-N 414.483 3.039 0 40 HGAB CN(CCCC(=O)Nc1cccc2ncccc12)S(=O)(=O)c1ccc(F)cc1 18823693 MCKWMWZQUBPBBR-UHFFFAOYSA-N 401.463 3.413 0 40 HGAB COc1ccc(Cc2nnc3sc(-c4cc(OC)c(OC)c(OC)c4)nn23)cc1 6758652 MCQVOFNUDIVACC-UHFFFAOYSA-N 412.471 3.478 0 40 HGAB COc1ccc([C@H](CNC(=O)C[C@@H](NC(C)=O)c2ccccc2)N2CCCC2)cc1 6865331 FPJJLJLUEXHXEQ-PKTZIBPZSA-N 409.530 3.216 0 40 HGAB O=C(Nc1ccccc1)c1nnc2n1C[C@@H]1CN(Cc3ccccc3Cl)C[C@H]1C2 306131037 JVFRVUVEBYCXLK-SJORKVTESA-N 407.905 3.488 0 40 HGAB CCOC(=O)c1csc(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)c(Cl)c3)C2)n1 71281943 YKJPIACFNTYXLF-SECBINFHSA-N 411.842 3.104 0 40 HGAB Cc1ccc(NC(=O)c2nnn(CC(=O)Nc3cc(F)ccc3F)c2C)cc1F 71327072 ILKSBEZNGODLIH-UHFFFAOYSA-N 403.364 3.203 0 40 HGAB Cc1cccc(NS(=O)(=O)c2ccc(OCC(=O)N3CCC(C)CC3)cc2)c1 409378195 NDUMGKNLNXECJB-UHFFFAOYSA-N 402.516 3.433 0 40 HGAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2cccc(C(C)=O)c2)cc1Cl 408596257 RWKRKHYADLGSOQ-GFCCVEGCSA-N 424.906 3.247 0 40 HGAB COc1cccc(-c2ccc3nc([C@H]4CCCN(C(=O)c5cnccn5)C4)nn3c2)c1 306126473 DWUKSDSLFYNHKU-SFHVURJKSA-N 414.469 3.215 0 40 HGAB Cc1noc(C)c1CN1CCN(C)[C@@H](c2cn3c(-c4ccncc4)cccc3n2)C1 306129428 ICRWTKUZKPZHEF-JOCHJYFZSA-N 402.502 3.490 0 40 HGAB O=C(Nc1ccccn1)c1cccc([C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)n1 72357443 BJVMSGYINXQTAI-KRWDZBQOSA-N 422.510 3.297 0 40 HGAB COC(=O)c1cccc(CN2C(=O)N[C@](Cc3ccccc3)(c3ccccc3)C2=O)n1 565872209 PUURDUUMWPNYFA-XMMPIXPASA-N 415.449 3.058 0 40 HGAB CN(C)S(=O)(=O)N(CC(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1F 38755520 JNPNWMXVWQPVJI-UHFFFAOYSA-N 419.400 3.096 0 40 HGAB C[C@H](NC(=O)[C@H]1CN(S(C)(=O)=O)c2ccccc2O1)c1ccc(C(C)(C)C)cc1 38772921 SVFROSNKODDRPG-MGPUTAFESA-N 416.543 3.389 0 40 HGAB COc1ccc(C(=O)N2CCC[C@@H](c3ccc(C(=O)N4CCCCC4)cn3)C2)cn1 72374387 AKQACZRDMVAFPV-LJQANCHMSA-N 408.502 3.131 0 40 HGAB COc1cc(N(CC(=O)O)S(=O)(=O)c2ccc(Cl)cc2)c(OC)cc1Cl 224722096 YUBBBIZNGZYBFD-UHFFFAOYSA-N 420.270 3.291 0 40 HGAB CCSc1nnc(NS(=O)(=O)c2ccc3c(c2)sc(=O)n3C(C)C)s1 225720223 MSTMVUSRBJWPSY-UHFFFAOYSA-N 416.575 3.408 0 40 HGAB c1ccc2c(c1)CCC[C@@H]2c1noc(C2CCN(c3ccc4nncn4n3)CC2)n1 569894332 AYQUOJRWHINHJL-SFHVURJKSA-N 401.474 3.360 0 40 HGAB Cc1ccc(-c2nnc(NC(=O)c3ccc(N(C)S(C)(=O)=O)cc3)s2)cc1 222830356 NNRCNQOKQSBZPV-UHFFFAOYSA-N 402.501 3.162 0 40 HGAB Cc1ccc([C@H](C)NC(=O)CN(c2cccc(OC(C)C)c2)S(C)(=O)=O)cc1 220112562 GWWXQIKNMYXLPP-KRWDZBQOSA-N 404.532 3.426 0 40 HGAB CS(=O)(=O)N(CCCC(=O)N1CCCc2ccccc21)c1ccc(F)c(F)c1 222680660 UDNFOXCZTGQFIK-UHFFFAOYSA-N 408.470 3.490 0 40 HGAB C[C@@H](Oc1ccc(S(=O)(=O)Nc2nccs2)cc1)C(=O)NC1CCCCC1 223255459 ZKBYQKZDNNEMJF-CYBMUJFWSA-N 409.533 3.160 0 40 HGAB COc1cc(CN2Cc3ccccc3C[C@H]2C(=O)N2CCCCC2)cc(OC)c1O 199431443 PFNXJPDTTBCTKA-FQEVSTJZSA-N 410.514 3.349 0 40 HGAB COc1ccc(NC(=O)[C@@H]2Oc3c(c(=O)oc4ccccc34)[C@H]2c2cnn(C)c2)cc1 96115385 AYFMTDZYYFTSKZ-WIYYLYMNSA-N 417.421 3.067 0 40 HGAB biogenic Cc1nc([C@@H]2CCCN(C(=O)c3cccc(F)c3)C2)nc(C)c1CC(=O)NC1CC1 257271905 NAGYADTWHYUGOJ-QGZVFWFLSA-N 410.493 3.073 0 40 HGAB COc1ccc(C2=NN(C3=NC(=O)[C@H](CC(=O)O)S3)[C@@H](c3ccccc3)C2)cc1 252493909 NGHDDHMVLIPUQN-MSOLQXFVSA-N 409.467 3.319 0 40 HGAB Cc1ccc(S(=O)(=O)N(C)[C@H](Cc2ccc(Br)cc2)C(=O)O)cc1 260679501 PHYLUICENKFKGD-MRXNPFEDSA-N 412.305 3.074 0 40 HGAB O=C(Cc1csc(Cc2cccc(Cl)c2)n1)N1CCC(OCCCO)CC1 683859078 KMMYIEDKDPJODY-UHFFFAOYSA-N 408.951 3.320 0 40 HGAB Cc1cc(-c2nccn2C)nc([C@H]2CCN(C(=O)Cc3c[nH]c4ccccc34)C2)n1 585182425 SDZADDYBOONFFA-INIZCTEOSA-N 400.486 3.225 0 40 HGAB Cc1noc(C)c1C(=O)N1CC[C@@]2(C1)c1cccn1-c1ncccc1N2CC1CC1 585107376 UJEIUQDUBOBVFR-HSZRJFAPSA-N 403.486 3.449 0 40 HGAB C[C@@H](Cn1cncn1)C(=O)NC1CCN(CC2(c3cccc(F)c3)CCCC2)CC1 72393463 BYAPGBGSGWNFFU-SFHVURJKSA-N 413.541 3.146 0 40 HGAB COc1ccc(NC(=O)CCc2nc(-c3ccc(OC)c(OC)c3)no2)cc1OC 15425732 LZGYIGMICBHSRJ-UHFFFAOYSA-N 413.430 3.342 0 40 HGAB O=C(c1ccc(F)cc1)N1CCC(C(=O)N2CCN(Cc3ccccc3)CC2)CC1 17357782 JKWABTUFIBPTMA-UHFFFAOYSA-N 409.505 3.022 0 40 HGAB O=C(Cc1ccccc1Cl)N1CCC(c2cc(=O)[nH]c(-c3ccccn3)n2)CC1 19348067 TVODHCPRALUUER-UHFFFAOYSA-N 408.889 3.434 0 40 HGAB Cc1cc(C)n(CCCC(=O)N[C@@H]2C[C@]3(CCC(=O)N(C)CC3)Oc3ccccc32)n1 19574167 LBHRSAMTNGUQFC-HYBUGGRVSA-N 424.545 3.301 0 40 HGAB O=C(NCC1CC1)c1ccc(C2CCN(C(=O)c3ccc4nsnc4c3)CC2)nc1 19705771 ZLZBRQIPUFYCBW-UHFFFAOYSA-N 421.526 3.246 0 40 HGAB CC(C)(C(=O)NCc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(F)cc1 19718503 YJPZWOOSVPNUQH-UHFFFAOYSA-N 404.507 3.204 0 40 HGAB Cc1cc(C)cc(N(CC(=O)Nc2ccccc2Br)S(C)(=O)=O)c1 19947258 JPCNWIAJZZSVFJ-UHFFFAOYSA-N 411.321 3.471 0 40 HGAB COc1cc(/C=C/C(=O)N2CCN(c3ccc(C(C)=O)cc3)CC2)cc2c1OCCO2 7150387 BWBPPAIAQBWGMG-FPYGCLRLSA-N 422.481 3.031 0 40 HGAB CC(C)c1cc(C(F)(F)F)n2nc([C@H]3CCN(C(=O)c4cncnc4)C3)cc2n1 12220429 BLFTZPQTUSPRHR-LBPRGKRZSA-N 404.396 3.291 0 40 HGAB COc1c(C)cccc1CN1CCC(O)(Cn2ncc3cc(NC(C)=O)ccc32)CC1 19235921 FDYGQZOLNPOAGL-UHFFFAOYSA-N 422.529 3.339 0 40 HGAB CC(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCN(C(=O)[C@H]4CCCO4)C3)cc2N1 19451322 XIEUEJSGLYGBGP-WMHQRMGPSA-N 400.445 3.322 0 40 HGAB O=C(Cn1cnc2ccccc21)N1C[C@@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@@H]2C1 1888904394 PAWQLEDERKIRFD-GASCZTMLSA-N 415.419 3.045 0 40 HGAB O=C(NCCc1cc(Cl)c2c(c1)OCCO2)c1cncn1-c1ccc(F)cc1 32854745 MVOPAZZQPUMWGK-UHFFFAOYSA-N 401.825 3.409 0 40 HGAB O=C(NC(c1ccccc1)c1ccccc1)N1CC(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)C1 238838019 HEHKGNPVIHXPJC-SFTDATJTSA-N 415.493 3.121 0 40 HGAB COc1ccc(S(=O)(=O)NC[C@@H](c2ccco2)N2CCSCC2)cc1Cl 253400149 KURUYPBCTGFTTH-HNNXBMFYSA-N 416.952 3.010 0 40 HGAB CCOCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCc2ccccc2)cc1 4064435 FFKSXNRFRPCNJZ-OAQYLSRUSA-N 410.470 3.473 0 40 HGAB O=C(NCCn1cc(SCC(=O)N2CCOCC2)c2ccccc21)c1ccccc1 4059795 CEYVEVAWUUMRGI-UHFFFAOYSA-N 423.538 3.022 0 40 HGAB O=S(=O)(NCCc1csc2nc(-c3ccc(F)cc3)nn12)c1ccccc1 4479880 OESNWOYDAPIOGJ-UHFFFAOYSA-N 402.476 3.118 0 40 HGAB CCc1cccc(C)c1NC(=O)Cn1nnc(-c2nc(-c3ccc(C)cc3)no2)c1N 6939227 XOCJBSZQMJDJKO-UHFFFAOYSA-N 417.473 3.395 0 40 HGAB O=C(Cc1csc(SCC(=O)Nc2ccc(F)cc2)n1)NCc1cccnc1 8851908 IUQWCTWBMOIXRG-UHFFFAOYSA-N 416.503 3.267 0 40 HGAB NC(=O)c1cc(-c2ccccc2)sc1NC(=O)CS(=O)(=O)c1ccc(F)cc1 12232680 NTYDBEDZENBQBN-UHFFFAOYSA-N 418.471 3.066 0 40 HGAB Cc1ccc(CN2C(=O)NC3(CCN(C(=O)CCCc4ccccc4)CC3)C2=O)cc1 17041259 DSRWEAKSEAGYPW-UHFFFAOYSA-N 419.525 3.431 0 40 HGAB Cc1nc(-n2cccc2)sc1C(=O)N1CCN(c2ccc(-c3ccco3)nn2)CC1 36700537 OJQRBHOMXSFRPL-UHFFFAOYSA-N 420.498 3.255 0 40 HGAB O=C(c1cc(-c2ccc(F)cc2)[nH]n1)N1CCC[C@@H](Oc2ncc(Cl)cn2)C1 575613239 PSVVARREJFGSGJ-OAHLLOKOSA-N 401.829 3.343 0 40 HGAB CC1CCN([C@H](CNC(=O)c2ccc3c(c2)C(=O)N(C)C3=O)c2cccs2)CC1 22681416 FETKMTGICLBWTO-GOSISDBHSA-N 411.527 3.177 0 40 HGAB COc1ccc(N2C(=O)CS[C@]23C(=O)N(CN2CCCCC2)c2ccccc23)cc1 226758642 ZXFCDYMSTODJBE-HSZRJFAPSA-N 423.538 3.418 0 40 HGAB Cc1cc(C)c2nc(NC(=O)[C@H]3CN(S(C)(=O)=O)c4ccccc4O3)sc2c1 40134504 BWCWDBHJVKPSQY-OAHLLOKOSA-N 417.512 3.079 0 40 HGAB C[C@@]1(Cc2ccc3c(c2)OCO3)NC(=O)N(Cc2ccc(C(F)(F)F)cc2)C1=O 30511416 BQYOHUPJNWKYDN-IBGZPJMESA-N 406.360 3.487 0 40 HGAB O=C(Cn1c(C(F)(F)F)nc2ccccc21)NC1CCN(C(=O)c2ccoc2)CC1 31035116 UXSQWCCRUMEFNX-UHFFFAOYSA-N 420.391 3.069 0 40 HGAB Cc1oc2cc3c(C(=O)OCCN(C)C)c(C)oc3cc2c1C(=O)OCCN(C)C 806681 WXQUZMCQBBNKNQ-UHFFFAOYSA-N 416.474 3.233 0 40 HGAB CCOC(=O)c1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@@H]2c2cccc(O)c2)cc1 944377 YAXRTOOJUBFEFC-LJQANCHMSA-N 419.441 3.088 0 40 HGAB CCS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1ccc(OC)c(Cl)c1 2652133 JLQROKISYIWUDW-QGZVFWFLSA-N 408.907 3.064 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2c(Cl)nc3sccn23)cc1 3183432 HCFXTMUCQNQMJR-UHFFFAOYSA-N 412.924 3.332 0 40 HGAB O=C(COC(=O)c1ccccc1C(=O)c1ccccc1)Nc1ccc2c(c1)OCO2 3504643 JGTORPBKJDWWKQ-UHFFFAOYSA-N 403.390 3.442 0 40 HGAB CCCCn1c(=O)c2oc3ccccc3c2n(CC(=O)NCc2ccccc2)c1=O 4316108 YWQXUXCAOCQCPT-UHFFFAOYSA-N 405.454 3.026 0 40 HGAB O=C(COc1ccccc1)NC[C@H](c1cccs1)S(=O)(=O)c1ccccc1 4519439 MAQVAJWZGRAHHC-LJQANCHMSA-N 401.509 3.458 0 40 HGAB C[C@@H]1C[C@@H](C)CN(C(=O)COC(=O)CNC(=O)c2ccc(-c3ccccc3)cc2)C1 4979230 JWCWHDWVVDHPGR-QZTJIDSGSA-N 408.498 3.131 0 40 HGAB CCOC(=O)COc1ccccc1/C=C1/SC(=O)N(CC(=O)OC(C)(C)C)C1=O 5007593 WJGPTQCGJVCQNC-XNTDXEJSSA-N 421.471 3.007 0 40 HGAB COC(=O)C1=C(CSc2ccc(OC)cc2)NC(=O)N[C@@H]1c1ccc(OC)cc1 5018153 PPSBRWAYAUCMGI-LJQANCHMSA-N 414.483 3.277 0 40 HGAB Cc1ccc(-n2nc3c(c2NC(=O)c2ccc(F)c(F)c2)CS(=O)(=O)C3)cc1 5078103 ZCDAYZBPTHVJAL-UHFFFAOYSA-N 403.410 3.140 0 40 HGAB Cc1ccc(C)c(-c2nnc(NC(=O)CS(=O)(=O)c3ccc(Cl)cc3)o2)c1 5188974 IJYQBOJUBFYFJU-UHFFFAOYSA-N 405.863 3.419 0 40 HGAB COCCCN1C(=O)N(c2ccc(F)cc2)C(=O)[C@@H]1CC(=O)Nc1ccc(F)cc1 5274791 HVNRJGUEXBMMEY-SFHVURJKSA-N 417.412 3.167 0 40 HGAB COc1ccc(S(=O)(=O)Nc2ccc(OC)c(N3CCCCC3=O)c2)c(OC)c1 5330218 AQRNNHWAEJFJJB-UHFFFAOYSA-N 420.487 3.030 0 40 HGAB CN(C)C[C@H]1CCC[C@H](CN(C)C)C1OC(=O)C(O)(c1ccccc1)c1ccccc1 5699218 OATLNLNXMMWYCC-NHCUHLMSSA-N 424.585 3.374 0 40 HGAB COc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Cl)c1OCc1cccc(C)c1 5815350 MUQXKGGNJAQKFH-UHFFFAOYSA-N 416.886 3.150 0 40 HGAB CC[C@@H](OC(=O)[C@@H]1CC(=O)N(c2cc(OC)ccc2OC)C1)C(=O)c1ccccc1 7881564 XVEQFVIUTFWMKX-VQIMIIECSA-N 411.454 3.261 0 40 HGAB CC1=C(C(=O)N2CCOCC2)[C@H](c2cccc(F)c2)NC(=O)N1Cc1ccccc1 8263846 NLSSIAKWZUDTPQ-NRFANRHFSA-N 409.461 3.225 0 40 HGAB O=C(COC(=O)c1cccc(N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2=O)c1)c1ccc(F)cc1 8722551 CRELWSXYFUAELB-RWFYYTQISA-N 421.424 3.401 0 40 HGAB CCOCCCNS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)c(F)c1 8810130 QDKYVHFKXOPELY-UHFFFAOYSA-N 414.886 3.436 0 40 HGAB CCN1C(=O)C(C)(C)COc2cc(NS(=O)(=O)CCc3ccccc3)ccc21 9166370 HNFUHIXSXWKBEC-UHFFFAOYSA-N 402.516 3.443 0 40 HGAB COc1ccc(N2C[C@H](C(=O)Nc3nnc(CCc4ccccc4)s3)CC2=O)cc1 9191169 POJCWMNVVJGFIH-MRXNPFEDSA-N 422.510 3.324 0 40 HGAB Cc1ccc(-c2nc3scc(CCNC(=O)C(=O)Nc4ccccc4F)n3n2)cc1 9568968 PTEGFLDWBGNJDX-UHFFFAOYSA-N 423.473 3.203 0 40 HGAB COc1ccc(C(=O)Nc2nc(CC(=O)Nc3ccc4c(c3)OCO4)cs2)cc1 9628031 ZWHNDGNYNRSMHZ-UHFFFAOYSA-N 411.439 3.314 0 40 HGAB Cc1[nH]c(C(=O)Nc2cccc(-c3nnnn3C3CC3)c2)c(C)c1C(=O)OC(C)C 9710161 LRKHDDZLYZBONS-UHFFFAOYSA-N 408.462 3.437 0 40 HGAB Cc1cccc(CC(=O)NCCOc2ccc3nnc(-c4ccccc4Cl)n3n2)c1 11693926 NIQYWBBDTQFHGP-UHFFFAOYSA-N 421.888 3.491 0 40 HGAB COCc1ccc(C(=O)N[C@H](C)c2nc3cc(-c4ccc(OC)cc4)ncn3n2)cc1 12085106 XFQDTARRMXIRDM-OAHLLOKOSA-N 417.469 3.437 0 40 HGAB Cc1cc(=O)[nH]c(-n2nc(C3CC3)cc2NC(=O)c2ccccc2C(F)(F)F)n1 12123323 SLPSXFPKGWPQHJ-UHFFFAOYSA-N 403.364 3.413 0 40 HGAB COc1cccc(CC(=O)N[C@@H]2CC(C)(C)Cc3nc(-c4cnccn4)ncc32)c1 12239096 UXABSHLHJPSANW-GOSISDBHSA-N 403.486 3.315 0 40 HGAB CN(CC(=O)Nc1ccc(Nc2ccccc2)cc1)C1=NS(=O)(=O)c2ccccc21 12536471 RRSUUQXZECCMRN-UHFFFAOYSA-N 420.494 3.450 0 40 HGAB O=C(COc1c(Cl)cccc1Cl)N(Cc1ccco1)[C@H]1CCS(=O)(=O)C1 12853197 CILQYCIMSBJUTJ-LBPRGKRZSA-N 418.298 3.181 0 40 HGAB COc1ccc(CCNC(=O)[C@H](C)[S@@](=O)CCOc2cc(C)ccc2C)cc1 12857845 DGQAHHCLPHSYAO-XDBZFTIUSA-N 403.544 3.187 0 40 HGAB C[C@H](C(=O)Nc1cccc(Br)c1)N1CCN(C(=O)c2cccs2)CC1 12860598 QGGCRCHMEKAPJE-CYBMUJFWSA-N 422.348 3.296 0 40 HGAB COc1cc(NC(=O)Cn2c(-c3cccs3)n[nH]c2=S)cc(OC)c1OC 12865075 BMDYVCJNELUSSW-UHFFFAOYSA-N 406.489 3.334 0 40 HGAB COC(=O)Cn1c(S[C@@H](C)c2nc(C(C)(C)C)no2)nc2ccccc2c1=O 12892593 VFLIPSDSTOZWKJ-NSHDSACASA-N 402.476 3.103 0 40 HGAB O=C(NCCC(=O)N1CCN(Cc2ccc(Cl)s2)CC1)Nc1ccccc1 12896705 CFFSNIAQFQBRNJ-UHFFFAOYSA-N 406.939 3.258 0 40 HGAB Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NCC(F)(F)F)cc2)cc1 12924406 SCVDTZYVZSKOTE-UHFFFAOYSA-N 400.422 3.108 0 40 HGAB C[C@@H](NC(=O)c1ccc(I)cc1)c1ccc(-n2cncn2)cc1 12977838 ZTAGURXTCKGKPP-GFCCVEGCSA-N 418.238 3.363 0 40 HGAB O=C([C@H]1CCCO1)N1CCc2ccc(NC(=O)C3(c4ccccc4)CCOCC3)cc21 13695724 LVCNDSAOXJTOEE-JOCHJYFZSA-N 420.509 3.442 0 40 HGAB CCc1ccc(N2C[C@H](C(=O)Oc3ccc(N4C(=O)CCC4=O)c(C)c3)CC2=O)cc1 13857246 CUPOPMJINBCSPM-QGZVFWFLSA-N 420.465 3.169 0 40 HGAB CCCCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 14235007 QYBWGUKAERDDEY-CQSZACIVSA-N 417.369 3.156 0 40 HGAB O=C(CSc1nc(=O)n(-c2ccccc2)c2c1CCC2)c1ccc2c(c1)OCCO2 15840413 ZEDYMRJVZFTVCD-UHFFFAOYSA-N 420.490 3.467 0 40 HGAB COCCn1c(S[C@H](C)C(=O)Nc2ccc(OC)cc2)nnc1-c1ccncc1 15852584 DVNWIVDGIFHXGE-CQSZACIVSA-N 413.503 3.114 0 40 HGAB CNS(=O)(=O)c1ccc(CCC(=O)N2CCC(Cc3ccccc3)CC2)cc1 17166650 HXGGLNQBJSZJFX-UHFFFAOYSA-N 400.544 3.009 0 40 HGAB O=C(Cn1cncn1)N1CCC[C@H](c2nc(-c3cccs3)cc(C(F)(F)F)n2)C1 19344337 SIMOBGKMLAPRGJ-LBPRGKRZSA-N 422.436 3.222 0 40 HGAB CC[C@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCCN3S(=O)(=O)N3CCCC3)cc2N1 19500891 FTQJKIMDVLQVQJ-AEGPPILISA-N 421.489 3.058 0 40 HGAB CCNC(=O)[C@]1(Cc2cccc(-c3cccs3)c2)CCN(C(=O)[C@@H]2CCCO2)C1 19528863 DCIGSEPPHBJXRF-CVDCTZTESA-N 412.555 3.491 0 40 HGAB COc1ccc(-c2csc(CCNC(=O)c3ccnc(N4CCOCC4)c3)n2)cc1 19558449 LLQZNTZUPUAQNQ-UHFFFAOYSA-N 424.526 3.023 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)NCc1ccc(F)cc1 20108850 GDHZTRCCLXNANR-UHFFFAOYSA-N 420.506 3.185 0 40 HGAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)CCNC(=O)Nc1ccc(OC)cc1 21898346 GUXNVRZCUTXJSL-HNNXBMFYSA-N 412.490 3.374 0 40 HGAB COc1ccc(S(=O)(=O)NC[C@@H](c2ccco2)N2CCc3ccccc3C2)cc1 22907192 DVIDNCMVJBLZCH-NRFANRHFSA-N 412.511 3.366 0 40 HGAB C/C=C/c1ccc(OCC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)c(OC)c1 23057212 ACCQIULEABMSPY-HNSSHINMSA-N 407.532 3.065 0 40 HGAB COc1cccc(CNC(=O)Cn2cnc3c(-c4ccccc4)csc3c2=O)c1 23126432 KCCSVTRMOCKDJG-UHFFFAOYSA-N 405.479 3.450 0 40 HGAB O=C(OCCCN1C(=O)c2ccccc2C1=O)c1cc(Br)ccc1F 24845418 ACJLRNHFBZEWDK-UHFFFAOYSA-N 406.207 3.431 0 40 HGAB COc1ccccc1-c1nn(Cc2ccccc2)cc1C(=O)O[C@H]1C[C@@H](C)OC1=O 32736714 LSZMRYATXXLKBB-QRWLVFNGSA-N 406.438 3.468 0 40 HGAB COc1ccc(CCN2C(=O)C[C@H](Nc3ccc(SC)cc3)C2=O)cc1OC 32771807 XPEHQALGEZHHFP-KRWDZBQOSA-N 400.500 3.208 0 40 HGAB CCCC[C@@H](OC(=O)c1cc(S(C)(=O)=O)ccc1C)C(=O)Nc1cc(C)on1 32895881 YAWPWQZQVLZEEO-MRXNPFEDSA-N 408.476 3.049 0 40 HGAB COc1ccc(OC)c(CNC(=O)[C@H]2CCCN2C(=O)Nc2ccc(F)cc2)c1 32934435 LZHVTWQNMCVIFP-GOSISDBHSA-N 401.438 3.156 0 40 HGAB CCCNC(=O)[C@H]1CCCN(c2nc3ccsc3c(=O)n2-c2ccc(C)cc2)C1 33302477 YBJRSHHGVBFBMB-INIZCTEOSA-N 410.543 3.498 0 40 HGAB COc1c(Br)cc(Br)cc1CNCCNC(=O)C(C)C 34992620 DYVUDVFKBSWNDS-UHFFFAOYSA-N 408.134 3.082 0 40 HGAB COc1ccc(CN2CN(c3ccc(OC)cc3)c3nc(C)c(C)c(=O)n3C2)cc1 35585611 DBIZPACTAKSYCE-UHFFFAOYSA-N 406.486 3.446 0 40 HGAB CCCN1CCCc2cc(CCNS(=O)(=O)c3ccc(NC(C)=O)cc3)ccc21 35588095 RTLJQGRYQISXFX-UHFFFAOYSA-N 415.559 3.329 0 40 HGAB CS(=O)(=O)c1ccc(Nc2nc(C(=O)NCCc3ccc(F)cc3)cs2)cc1 35596779 VOTLYHXJKOAZPO-UHFFFAOYSA-N 419.503 3.402 0 40 HGAB Cc1noc2nc(-c3cnn(C)c3)cc(C(=O)NCc3ccccc3N3CCCC3)c12 36619381 DHZYVAMABYMZIO-UHFFFAOYSA-N 416.485 3.462 0 40 HGAB CCC(=O)N1CCCc2cc([C@H](O)CN3CCN(c4ccccc4OC)CC3)ccc21 36741242 YEGKEAUIDDLKHQ-HSZRJFAPSA-N 423.557 3.240 0 40 HGAB Cc1ccccc1-c1nc(S(=O)(=O)c2ccc(F)cc2)c(N2CCN(C)CC2)o1 39844239 QJTQHRCZSFUEFZ-UHFFFAOYSA-N 415.490 3.374 0 40 HGAB COc1ccc(C(=O)C2CCN(C(=O)NCCCN3CCCCCC3=O)CC2)cc1 40068748 SMBNKUORLCPUEL-UHFFFAOYSA-N 415.534 3.092 0 40 HGAB COc1ccc(OC)c(CN2CCN(C(=O)Cc3ccc(-n4cccc4)cc3)CC2)c1 40080407 JSXGHUWISLKMBB-UHFFFAOYSA-N 419.525 3.381 0 40 HGAB Cc1ccc(C(=O)O)cc1S(=O)(=O)Nc1ccc(Sc2nncs2)cc1 40150865 NWUVZIVAYGNAKD-UHFFFAOYSA-N 407.498 3.497 0 40 HGAB Cc1ccccc1N(CC(=O)Nc1ccc(N2CCCC2)c(F)c1)S(C)(=O)=O 40156832 FKLMMTDVQPOLFS-UHFFFAOYSA-N 405.495 3.139 0 40 HGAB O=C(NCC1CCN(C(=O)c2ccccc2F)CC1)c1ccc(Br)o1 44006567 UYUIAXXIUGASLN-UHFFFAOYSA-N 409.255 3.463 0 40 HGAB CS(=O)(=O)N(CC(=O)NCCSCc1ccccc1)c1ccc(Cl)cc1 44791305 SBLQXMDNFPMVKG-UHFFFAOYSA-N 412.964 3.156 0 40 HGAB CC[C@H](NC(=O)[C@@H]1CCN(S(C)(=O)=O)c2ccccc2O1)c1ccc(C)c(C)c1 44856587 QBDANFHPHBDNFA-RXVVDRJESA-N 416.543 3.488 0 40 HGAB O=C(NC[C@H](c1ccccc1)N1CCCC1)Nc1cccc(Cn2cccnc2=O)c1 47732877 BILYUNOSQRWUNV-JOCHJYFZSA-N 417.513 3.250 0 40 HGAB Cc1cccc(C)c1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 51980748 ORKBQLUNLMHGOU-OAHLLOKOSA-N 400.862 3.492 0 40 HGAB COC(=O)C[C@H](NC(=O)c1cn2ccc(C)cc2n1)c1cccc(Br)c1 58014404 PYENIPQNRRFLEL-HNNXBMFYSA-N 416.275 3.439 0 40 HGAB CCOc1cc(/C=C/C(=O)N2CCCN(C[C@H]3CCCO3)CC2)ccc1OC(F)F 58017756 XOONOSBGFTWWMK-PDFOZTTASA-N 424.488 3.413 0 40 HGAB NC(=O)C[C@@H]1CCCCN1C(=O)c1cc(-c2ccccc2)c(N2CCOCC2)s1 58103687 SDKSJNKXZUVFTP-KRWDZBQOSA-N 413.543 3.122 0 40 HGAB CCOC(=O)c1ccc(N2CCCN(C(=O)c3cc4ccc(C)cc4[nH]3)CC2)nc1 65575672 SHUMJYXJFVQEBZ-UHFFFAOYSA-N 406.486 3.401 0 40 HGAB O=C(C[C@H]1NC(=O)c2ccccc2N=C1O)NCCc1ccc(Cl)cc1Cl 71335423 CLNHYLDFIIKECA-MRXNPFEDSA-N 406.269 3.442 0 40 HGAB COc1ccccc1CNC(=O)C(=O)NC[C@](C)(O)c1ccc(-c2ccccc2)cc1 77102353 BOGLNKXGSVNEMV-VWLOTQADSA-N 418.493 3.002 0 40 HGAB Cc1[nH]nc(-c2nn3c(-c4cc(C(C)C)nn4C)nnc3s2)c1Br 79495344 NLFYIMNWAVGEFL-UHFFFAOYSA-N 407.301 3.171 0 40 HGAB CCOC(=O)c1[nH]c(C)c(S(=O)(=O)N2CCC[C@H]2c2ccc(OC)cc2)c1C 84794474 ZOMPVTWOHPXOSZ-KRWDZBQOSA-N 406.504 3.343 0 40 HGAB Cc1nn(Cc2ccccc2)c(C)c1[C@H]1COCCN1C(=O)NCc1cccnc1 95998834 RGWBNNFXHNOCIX-OAQYLSRUSA-N 405.502 3.226 0 40 HGAB CCOC(=O)[C@]12CCCN(Cc3ccc(OC)cc3)C[C@H]1CN(c1ccccn1)C2 96056046 UKYCXAGOBVGMTD-RDPSFJRHSA-N 409.530 3.372 0 40 HGAB O=C(O)c1ccc(NC[C@H]2CCCO2)c(S(=O)(=O)NCCC2=CCCCC2)c1 217455342 MZOWDWGCCBTZHO-QGZVFWFLSA-N 408.520 3.145 0 40 HGAB CCOc1ccccc1NC(=O)[C@@H](CC)N(c1ccc(OC)cc1)S(C)(=O)=O 220638103 SQEIGPNRLYJZLO-GOSISDBHSA-N 406.504 3.277 0 40 HGAB CCNC(=O)c1cc(S(=O)(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)ccc1OC 222953799 OYBUOJUGMFRAJM-HNNXBMFYSA-N 416.543 3.363 0 40 HGAB COc1ccc(S(=O)(=O)NCc2cccc(N3CCCC3=O)c2)cc1C(C)C 223703081 GMKHSMUJEGAWTB-UHFFFAOYSA-N 402.516 3.424 0 40 HGAB CCOc1ccc(-c2noc(CNS(=O)(=O)c3c(C)cc(OC)cc3C)n2)cc1 224489262 AZMNVCUSACPZHV-UHFFFAOYSA-N 417.487 3.239 0 40 HGAB O=C1N[C@]2(C[C@H]3CC[C@H]2C[C@@H]3C(=O)N2CCC(=O)[C@@H]3CCCC[C@@H]32)Oc2ccccc21 247960006 PTQZIMJJUTXQOV-JGBCCECDSA-N 422.525 3.302 0 40 HGAB Cc1ccc(C)c(N([C@H](C)C(=O)NCCOc2ccc(Cl)cc2)S(C)(=O)=O)c1 260848662 ORVNGAWEOKFTIK-MRXNPFEDSA-N 424.950 3.307 0 40 HGAB CC(C)n1cnc([C@@H]2CN(C(=O)C3CCC3)C[C@]23CCN(Cc2ccncc2)C3=O)c1 306139909 UDRSGCRZXNSLAC-GBXCKJPGSA-N 421.545 3.004 0 40 HGAB O=C(COc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)NC1CC1 408561239 RMGRWWBHYXZZSW-UHFFFAOYSA-N 414.405 3.164 0 40 HGAB FC(F)C[C@@H]1COCCN1Cc1ccc(CN2CCOC[C@H]2CC(F)F)cc1 513391365 BCFKPONABMLEHU-QZTJIDSGSA-N 404.448 3.399 0 40 HGAB NC(=O)C[C@]1(COc2ccc(Cl)cc2)CN(C(=O)CCC2CCCC2)CCO1 585286640 PRAKNQGRFZGXSN-OAQYLSRUSA-N 408.926 3.162 0 40 HGAB Cc1cnc(Nc2nccnc2[C@H]2CCCN2C(=O)/C=C/c2c(C)nn(C)c2C)s1 585293154 YJRWAYDWFRPFBU-IWAYRVGRSA-N 423.546 3.712 0 40 HGAB C=CC(=O)Nc1ccc(O)c(C(=O)N[C@]23CCC[C@@H]2N(C(=O)OC(C)(C)C)CC3)c1 1633957636 AMCWSVYJGPTDFD-JTSKRJEESA-N 415.490 3.179 0 40 HGAB COc1ccc(CNC(=O)COC(=O)c2c3c(nc4ccccc24)CCC3)cc1OC 3482145 QENIPEFVVLRZLB-UHFFFAOYSA-N 420.465 3.214 0 40 HGAB CCS(=O)(=O)Nc1cccc(C2=NN(C(C)=O)[C@@H](c3ccc(OC)cc3)C2)c1 4036298 YLCRAWXHVTVUBL-HXUWFJFHSA-N 401.488 3.154 0 40 HGAB C[C@@H](c1nnc(SCC(=O)NCc2cccs2)n1-c1ccc(F)cc1)N(C)C 4500404 QKOMJEOERXYLLY-ZDUSSCGKSA-N 419.551 3.499 0 40 HGAB CC(C)CCNC(=O)CN(C(=O)CCC(=O)Nc1nccs1)c1cccc(F)c1 4848405 YHGCLWXBTLXUJJ-UHFFFAOYSA-N 420.510 3.196 0 40 HGAB COc1ccc(CN2C(=O)[C@](O)(CC(C)=O)c3cc(Br)ccc32)cc1 4988110 ZJNMGWDEAFJVTE-IBGZPJMESA-N 404.260 3.171 0 40 HGAB COc1ccc(C)cc1-n1nnnc1S[C@H](C)C(=O)NCCC1=CCCCC1 4997763 GROCQIZQFYHZHO-OAHLLOKOSA-N 401.536 3.467 0 40 HGAB COc1cc(Cl)c(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)cc1OC 5006945 OGPRRPIHRPUSCH-OVCLIPMQSA-N 410.879 3.016 0 40 HGAB CCCn1c(NC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)nc2ccccc21 6153873 NYZUTSKYVHAKRY-OAHLLOKOSA-N 420.469 3.209 0 40 HGAB C[C@]1(c2ccccc2Cl)NC(=O)N(CC(=O)Nc2ccc(F)c(F)c2F)C1=O 6268514 DMAIKDVSIPUOET-GOSISDBHSA-N 411.767 3.163 0 40 HGAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2c(C)cccc2C(C)C)cc1OC 6504493 VPPMBRFIGOBTIG-HNNXBMFYSA-N 420.531 3.441 0 40 HGAB O=C(CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)NC1CCCCCC1 6510768 OBXSJCZAYZCXAI-UHFFFAOYSA-N 412.861 3.476 0 40 HGAB COc1ccccc1NCCN[C@@H](CC(=O)Nc1ccc2ccccc2c1)C(=O)O 7276555 NCPKDXGBNJNETL-FQEVSTJZSA-N 407.470 3.332 0 40 HGAB CC(=O)NCc1ccc(C(=O)CSc2nnc(-c3ccncc3)n2C2CC2)s1 7617176 IOEPDQNCZYJHAB-UHFFFAOYSA-N 413.528 3.348 0 40 HGAB COc1ccccc1N1CCN(C(=O)Cc2c(C)nn(-c3ccccc3)c2C)CC1 7910202 QKRDZDLNLZCTSI-UHFFFAOYSA-N 404.514 3.389 0 40 HGAB O=C(Cn1ncc(=O)c2ccccc21)Nc1cccc(-c2nnc3n2CCCCC3)c1 7960678 POFIZUBSZOZRQF-UHFFFAOYSA-N 414.469 3.020 0 40 HGAB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc4c(c3)OCO4)C2=O)cc1 8157491 HIGGUHHDJLBYAG-RQZCQDPDSA-N 412.423 3.099 0 40 HGAB Cc1cc(C)n(CCCNC(=O)c2nn(-c3ccccc3)c(=O)c3ccccc23)n1 8340927 XWOFMBJATWUWKK-UHFFFAOYSA-N 401.470 3.019 0 40 HGAB COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)/C=C/c1ccc(OC)c(OC)c1 8745463 LWRWKJNNYFKVSH-SINXNMPMSA-N 408.454 3.099 0 40 HGAB O=C(Nc1nc2ccccc2s1)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 8895219 UZEQLJWIRJSVFS-HNNXBMFYSA-N 405.476 3.227 0 40 HGAB CC(C)Cn1c(S[C@H](C)C(=O)NC[C@@H]2CCCO2)nc2ccc(Cl)cc2c1=O 9091492 ZJAAYBWPQSMVTC-HIFRSBDPSA-N 423.966 3.482 0 40 HGAB Cc1ccc(Cn2c(=O)c3c(nc4n3C[C@H](C)CN4C3CCCCC3)n(C)c2=O)cc1 9519145 KSYNAYCOTMOGKP-QGZVFWFLSA-N 421.545 3.042 0 40 HGAB Cc1ccccc1C(=O)NCCn1ncc2c(=O)n(Cc3ccc(Cl)cc3)cnc21 9823196 CHSMAQGHXVWBAM-UHFFFAOYSA-N 421.888 3.033 0 40 HGAB CCc1ccccc1NC(=O)CNC(=O)CCCNC(=O)c1ccc(Cl)cc1 9950414 KBABRAHGNTXPGH-UHFFFAOYSA-N 401.894 3.167 0 40 HGAB CNC(=O)c1nn(CN(C)Cc2ccc(Cl)c(Cl)c2)c(=O)c2ccccc12 10913280 UBDAADLRXDSMPB-UHFFFAOYSA-N 405.285 3.152 0 40 HGAB O=C(CCNC(=O)c1ccccc1)Nc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1 11450511 DRLOPDGGBOXQAE-UHFFFAOYSA-N 420.494 3.453 0 40 HGAB Cc1cc2nc(C3CCN(C(=O)CCn4ccnc4)CC3)cc(C(F)(F)F)n2n1 12221541 ILPNVXHHORCEFV-UHFFFAOYSA-N 406.412 3.049 0 40 HGAB CCc1ccc(-c2noc(CN3C(=O)N[C@@H](Cc4c[nH]c5ccccc45)C3=O)n2)cc1 12752700 KLWDQDDXDOBVSJ-IBGZPJMESA-N 415.453 3.443 0 40 HGAB NC(=O)[C@H]1CN(C(=O)c2cc(-c3ccccc3)nn2-c2ccccc2)c2ccccc2O1 12753797 ANNMUOGGACFDFV-HSZRJFAPSA-N 424.460 3.432 0 40 HGAB C[C@H](OC(=O)c1ccccc1F)C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21 12769574 CFWXYUCQQLVLNC-JTQLQIEISA-N 410.323 3.375 0 40 HGAB O=C(Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1)[C@H]1CCS(=O)(=O)C1 12911162 RXLCVRGTWSLPOD-NSHDSACASA-N 404.435 3.126 0 40 HGAB CSCC[C@H](NC(=O)COc1ccccc1)C(=O)N1CCC[C@H](C(F)(F)F)C1 12974482 DTULPOYLPDWUFC-HOCLYGCPSA-N 418.481 3.104 0 40 HGAB CCOc1ccc(/C=c2\sc3nc(-c4ccccc4C)nn3c2=O)cc1OCC 13511382 HQFKFHXFRNLFCG-UYRXBGFRSA-N 407.495 3.472 0 40 HGAB O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)Nc1nc2ccc(Br)cc2s1 13523465 WNHYKGJJHFJRKM-QWRGUYRKSA-N 422.304 3.173 0 40 HGAB O=C(NCCc1c[nH]c2ccccc12)[C@H]1CCCN(c2nc(Cl)nc3[nH]cnc23)C1 13570085 ZJAITGHWWSHAQW-AWEZNQCLSA-N 423.908 3.063 0 40 HGAB Cc1cc(S(=O)(=O)N[C@H](C)c2ccccc2)c(C)n1S(=O)(=O)c1ccccc1 13585870 OYGHDMJQRUHZJO-MRXNPFEDSA-N 418.540 3.381 0 40 HGAB COCCNc1oc(-c2ccccc2)nc1S(=O)(=O)c1ccc2c(c1)OCCO2 13684290 KEBMLNCWZBYKTP-UHFFFAOYSA-N 416.455 3.004 0 40 HGAB CC(=O)NCCCc1ccc(C(=O)CSc2nnnn2-c2ccccc2C)cc1 14169636 YNKKSRCVPDEKOQ-UHFFFAOYSA-N 409.515 3.014 0 40 HGAB COc1ccc(CN2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)cc1 14197817 UBAYLJACSXDYIR-UHFFFAOYSA-N 414.449 3.221 0 40 HGAB Cc1ccc(O[C@@H](C)C(=O)N2CCC[C@H]([C@@H]3C[C@H](C(F)F)n4ncnc4N3)C2)cc1 19210857 CUVMCDGFEXOEQU-UOVPBQLFSA-N 419.476 3.283 0 40 HGAB COc1ccc(OC)c(CN2CCC[C@@H]([C@@H]3C[C@H](C(F)F)n4ncnc4N3)C2)c1 19551509 UIBLVSZDBWXBJT-XOKHGSTOSA-N 407.465 3.198 0 40 HGAB CNc1cc([C@@H]2CC(=O)N(c3ccc(F)cc3)C2)nc(CN(C)C(=O)CC(C)C)n1 19700860 QKPZIALTUMCWFG-OAHLLOKOSA-N 413.497 3.182 0 40 HGAB CCC(=O)N1CCC[C@H](c2nc(C)c3c(n2)N(Cc2cccc(OC)c2)C(=O)CC3)C1 19739441 KGRLCMMSOVJFJE-SFHVURJKSA-N 422.529 3.389 0 40 HGAB Cc1ncc(C(=O)N2CCCCC2)c([C@H]2CCCN2C(=O)CC2(O)CCCCC2)n1 19752098 UPJLMJXXPQOPJQ-LJQANCHMSA-N 414.550 3.160 0 40 HGAB CNc1cc(CN(C)C(C)=O)nc([C@H]2CCCN2C(=O)c2cc3ccccc3o2)n1 19759213 LVQMJQAMZFNTLQ-QGZVFWFLSA-N 407.474 3.220 0 40 HGAB COc1ccc(NC(=O)c2cnc([C@H]3CCN(C(=O)c4ccccn4)C3)nc2C)cc1 19766077 BCPLKPOHFQEUJU-INIZCTEOSA-N 417.469 3.071 0 40 HGAB CCCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(F)c(F)c2F)cc1 20020858 KYAADRNFUJKNJR-UHFFFAOYSA-N 416.421 3.200 0 40 HGAB Cc1cc(OCC(=O)N2CCN(Cc3ccccc3)CC2)ccc1Br 20512037 UUQQMXYWYOPESO-UHFFFAOYSA-N 403.320 3.481 0 40 HGAB COCC(=O)N1CCCc2ccc(NS(=O)(=O)Cc3cccc(Cl)c3)cc21 21756934 LCEINKIPRMJRAV-UHFFFAOYSA-N 408.907 3.208 0 40 HGAB CC(C)C(=O)Nc1cccc(CNC(=O)CCCn2cnc3ccccc3c2=O)c1 22973392 VMRYDOMQFVAGMU-UHFFFAOYSA-N 406.486 3.088 0 40 HGAB COc1cc(COC(=O)c2cccc(NS(C)(=O)=O)c2)ccc1OC(F)F 22985882 FQNLZMNQXLXHLR-UHFFFAOYSA-N 401.387 3.025 0 40 HGAB COc1ccc(Br)cc1/C=C/C(=O)NC[C@H]1COc2ccccc2O1 26803538 KEIHEOPHUDEUEQ-PPYMECGQSA-N 404.260 3.427 0 40 HGAB CCS(=O)(=O)c1ncc(Br)c(C(=O)Nc2ccc3ccccc3c2)n1 27745138 ZJVJUTAZQRCKOL-UHFFFAOYSA-N 420.288 3.438 0 40 HGAB CCOC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(C[C@@H](O)c2ccccc2)CC1 28693622 HSGTZIBYSYCMMA-RTWAWAEBSA-N 402.922 3.295 0 40 HGAB CCCc1ccc(NC(=O)CN(C)CC(=O)N2c3ccccc3NC(=O)C[C@H]2C)cc1 32860160 YCURGRJKXFJFEY-QGZVFWFLSA-N 422.529 3.273 0 40 HGAB COC(=O)c1ccc(CN2C(=O)S/C(=C/c3cccc(OC)c3OC)C2=O)o1 33787428 WGIZAWKLXKNMGR-OQLLNIDSSA-N 403.412 3.320 0 40 HGAB O=C1CCCN1c1ccc(S(=O)(=O)NCc2csc(-c3ccccc3)n2)cc1 36614485 GFSGOMXIDBEMNE-UHFFFAOYSA-N 413.524 3.415 0 40 HGAB CCCOc1ccc(S(=O)(=O)NCCN2CCO[C@@H](c3ccccc3)C2)cc1C 36700200 AIEVFCDUPMOFTH-JOCHJYFZSA-N 418.559 3.136 0 40 HGAB CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CCC[C@@H](C(=O)NCC3CC3)C2)cc1 40146791 BYPSUUHVQUYPHA-QGZVFWFLSA-N 401.507 3.412 0 40 HGAB O=C(COC(=O)[C@H]1COCCO1)Nc1c(Cl)c(Cl)cc(Cl)c1Cl 46313311 PETGDBQEXHNEAT-MRVPVSSYSA-N 403.045 3.197 0 40 HGAB Cc1ccc2c(c1)N(Cc1ccccc1C)N=C(C(=O)N1CCCCC1)S2(=O)=O 49402682 PWVILYYLLYLBDW-UHFFFAOYSA-N 411.527 3.423 0 40 HGAB CCN(CC)c1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C[C@@H]1CCCO1 58157591 VBFJICARVKGFJT-KRWDZBQOSA-N 423.579 3.215 0 40 HGAB CC1CCN(CCCCNC(=O)Nc2ccc3c(ccn3CC(=O)N(C)C)c2)CC1 58405864 QQOTUEAEJDNECI-UHFFFAOYSA-N 413.566 3.363 0 40 HGAB O=C(Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2Cc2ccccc2F)cc1)C1CCC1 67896537 UDYYASJJVKLSTL-IFMALSPDSA-N 412.461 3.025 0 40 HGAB biogenic,in-vitro Cc1cc(C)n(C[C@@H](C)C(=O)N[C@H]2C[C@@]3(CCC(=O)N(C)CC3)Oc3ccccc32)n1 72327777 MNXHWOZKCJPKTQ-NKNQFRNOSA-N 424.545 3.157 0 40 HGAB CCC(=O)Nc1ccc(S(=O)(=O)N(CCN2CCCC2)Cc2ccccc2)cc1 84718698 DJADLPIRZRTBFS-UHFFFAOYSA-N 415.559 3.322 0 40 HGAB COc1ccccc1-c1cc(C(=O)N[C@@H](CCSC)c2nnc3ccccn23)[nH]n1 96117203 HBRGTWLLMHVVPO-HNNXBMFYSA-N 422.514 3.352 0 40 HGAB O=C(NC[C@H]1Cn2c(-c3ccc4c(c3)OCO4)cnc2CO1)c1ccc(Cl)cc1 96296351 NOWJNLJJKBBZSG-INIZCTEOSA-N 411.845 3.261 0 40 HGAB biogenic,in-vitro COc1ccc(N2C(=O)C[C@@H](c3c(C)nn(-c4nc5ccccc5o4)c3O)C2=O)cc1 100068931 PGSJLHRWEIXJMJ-HNNXBMFYSA-N 418.409 3.083 0 40 HGAB CN1[C@H]2CC[C@H]1CC(NC(=O)c1ccc(Cn3cc(Br)cn3)cc1)C2 100916747 HCFISLPMHJLTBY-ROUUACIJSA-N 403.324 3.049 0 40 HGAB CCOc1ccc(N2C(=O)[C@H]3C(C(C)=O)=NN(c4ccc(Cl)cc4)[C@H]3C2=O)cc1 100982835 XPFUFHULHQBIPD-PKOBYXMFSA-N 411.845 3.062 0 40 HGAB CN(Cc1ccccc1)C(=O)CSC(=S)N1CCN(Cc2ccccc2)CC1 215680097 KRLJUCSZNCAYSQ-UHFFFAOYSA-N 413.612 3.481 0 40 HGAB CCc1cccc(C)c1NC(=O)[C@@H](C)N(c1cc(OC)ccc1OC)S(C)(=O)=O 220215458 QVEVHBIRBNRZAS-OAHLLOKOSA-N 420.531 3.368 0 40 HGAB CNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)COc1ccc(Br)cc1 222475352 SIBOBAMXFVSXGV-HNNXBMFYSA-N 419.319 3.300 0 40 HGAB Cc1ccc(C(=O)NCCCN2C[C@H](C)C[C@@H](C)C2)cc1N1CCCCS1(=O)=O 224400431 BUUPZTQAUZDDOH-QZTJIDSGSA-N 421.607 3.023 0 40 HGAB COc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NCc3ccco3)cc2)cc1 224438354 ZEHGHPKGBQTAFA-UHFFFAOYSA-N 414.483 3.039 0 40 HGAB CCN(Cc1ccc(C(=O)NCCCOC)cc1)S(=O)(=O)c1ccc(Cl)cc1 224460615 IBOOYOJHHGKNKA-UHFFFAOYSA-N 424.950 3.317 0 40 HGAB COc1ccc(/C=C/C(=O)Nc2ccc3c(c2)sc(=O)n3C)c(OC)c1OC 225023052 XKFLACWBBRAKDJ-UXBLZVDNSA-N 400.456 3.278 0 40 HGAB COc1cccc(N(CC(=O)N[C@@H](C)C(C)C)S(=O)(=O)c2ccc(C)cc2)c1 225189849 IWOXEQMTNDHEOR-KRWDZBQOSA-N 404.532 3.360 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=S)NCCc1ccccc1 225209897 RKFUXBREVGWZEC-UHFFFAOYSA-N 419.572 3.009 0 40 HGAB CC1CCN(c2cc(N3CCOCC3)nc(NC(=S)NC3CCCCC3)n2)CC1 226008039 JNRZDGSIYZMWLV-UHFFFAOYSA-N 418.611 3.169 0 40 HGAB O=C(CN1CCO[C@@H](c2ccc(Nc3ccccn3)cn2)C1)N1CCc2ccccc21 257228574 FUJLKGRDDCVNGT-JOCHJYFZSA-N 415.497 3.183 0 40 HGAB Cc1nccc(N2CCC[C@](C)(c3ccc4c(N)c(C(=O)N(C)C)sc4n3)C2)n1 257290694 QDZFNVHKHONLEP-NRFANRHFSA-N 410.547 3.237 0 40 HGAB Cc1cc(C)cc(N([C@H](C)C(=O)NCCOc2ccc(C)c(C)c2)S(C)(=O)=O)c1 260793399 PBXSXSCAGJZESY-LJQANCHMSA-N 418.559 3.270 0 40 HGAB O=C(COc1ccc(S(=O)(=O)N2CCCCC2)cc1Cl)N1CCCCCC1 408560380 YZOHJHKTHBPJGQ-UHFFFAOYSA-N 414.955 3.296 0 40 HGAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccc(F)c(Cl)c2)cc1 408600682 BZQVDFDOMNXDTI-LLVKDONJSA-N 400.859 3.183 0 40 HGAB COc1ccc(Cl)cc1S(=O)(=O)N[C@H](C)C(=O)N[C@H](C)CCc1ccccc1 408606911 MOKDYZQWKONWFS-HUUCEWRRSA-N 424.950 3.153 0 40 HGAB CCOc1ccccc1NC(=O)[C@H](C)NS(=O)(=O)c1cc(Cl)ccc1OC 408618946 GXSSNDNPBFZJGX-LBPRGKRZSA-N 412.895 3.053 0 40 HGAB COc1ccc(-c2nnc(CN(C)C(=O)COc3ccc(Cl)cc3)o2)cc1OC 408714122 JFMNIUBKLREEFJ-UHFFFAOYSA-N 417.849 3.445 0 40 HGAB CCOc1cccc(/C=C2\SC(=O)N(CC(=O)N3CCCC[C@@H]3C)C2=O)c1O 409214117 WCEAUSOOQOUHKV-RERGGYADSA-N 404.488 3.228 0 40 HGAB Cc1cnc(NC(=O)COC(=O)c2cccc(N3C(=O)c4ccccc4C3=O)c2)s1 409223529 IHDWHHWVACTFCL-UHFFFAOYSA-N 421.434 3.048 0 40 HGAB CCN(C[C@H](O)C(F)(F)F)C(=O)C1CCN(c2noc3ccc(Cl)cc23)CC1 501558120 LDYMXKLFQGMPQD-HNNXBMFYSA-N 419.831 3.469 0 40 HGAB COc1ccccc1-c1coc2c3c(cc(O)c2c1=O)OC(=O)C[C@H]3c1cnn(C)c1 524729414 SRQOOPJNGAIMIA-AWEZNQCLSA-N 418.405 3.349 0 40 HGAB biogenic C[C@H](c1cccnc1)N1CCN(Cc2cnc3ccc(Br)cn23)CC1 538739940 VQQSLAXCJFAKPE-OAHLLOKOSA-N 400.324 3.371 0 40 HGAB COc1cc(S(=O)(=O)N2CC[C@H](Cc3ccccc3)C2)c(Cl)cc1C(=O)O 545561129 VDUXEVOWMSUHDL-CQSZACIVSA-N 409.891 3.300 0 40 HGAB C[C@H](CN1C[C@H]2CN(S(=O)(=O)c3cc(F)cc(F)c3)CC[C@@H]21)c1ccccc1 585108036 XKSOIVWCAUSGSI-KUDFPVQQSA-N 406.498 3.463 0 40 HGAB Cc1ccc(CNC(=O)c2nnc(CN3CCOCC4(CCCC4)C3)s2)cc1 681477486 ZHMMQCIKUIFOBW-UHFFFAOYSA-N 400.548 3.169 0 40 HGAB O=C1NCC2(CCN(C[C@@H](O)c3ccccc3C(F)(F)F)CC2)Oc2ccccc21 1197728157 IUBODYXGNNGXMI-GOSISDBHSA-N 420.431 3.396 0 40 HGAB NC(=O)c1ccccc1Oc1ccc(NC(=O)N[C@@H](C2CC2)[C@H](CO)C2CC2)cc1 1669172990 XQRQULAZANRILP-CTNGQTDRSA-N 409.486 3.496 0 40 HGAB CC(C)S(=O)(=O)c1ccc(CC(=O)NC[C@H](O)c2ccc(-c3ccco3)o2)cc1 1775965683 JUCYMTABTHPVMU-KRWDZBQOSA-N 417.483 3.114 0 40 HGAB CN1CCC2(CC1)C[C@@H](NC(=O)c1ccc3c(c1)NC(=O)CS3)c1ccccc1O2 32676322 KYFCYFAEHROHPZ-GOSISDBHSA-N 423.538 3.449 0 40 HGAB CCN(CC)c1ccc(NC(=O)CSc2nnc(-c3ccc(F)cc3)n2N)cc1 2265002 IWAXNQKBGLBQCF-UHFFFAOYSA-N 414.510 3.375 0 40 HGAB CC(=O)N1CCc2cc(NC(=O)CCC(=O)c3ccc4c(c3)OCCCO4)ccc21 32731355 CBKMCWYNCWGAGJ-UHFFFAOYSA-N 408.454 3.359 0 40 HGAB Cn1cc(CN2C[C@@H]3C[C@H](C2)c2ccc(-c4cncnc4)c(=O)n2C3)c2ccccc21 3841853 YXOOINIQKSZEBC-ZWKOTPCHSA-N 411.509 3.416 0 40 HGAB biogenic,in-vitro O=C(NCc1cccnc1)c1cc(S(=O)(=O)N2CCCc3ccccc32)cs1 6681388 VJEWAVRZTAERBJ-UHFFFAOYSA-N 413.524 3.215 0 40 HGAB O=C(CSc1ccc2ccccc2n1)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 7920720 QATJRKJOBDSLPX-KRWDZBQOSA-N 404.557 3.285 0 40 HGAB CSCC[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NC[C@H]1CCCO1 32975816 NTCINOXWIBQOAD-IUODEOHRSA-N 405.347 3.140 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)NCCCc1ccc(C)cc1 10110574 PXYGGVQYICJGPI-UHFFFAOYSA-N 416.543 3.151 0 40 HGAB CC(=O)c1cccc(NC(=O)CCCCCN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@@H]3C2=O)c1 100394885 AQIZKCBRIYLJCU-HUCDYXQFSA-N 420.509 3.441 0 40 HGAB O=C(CN1[C@H]2CCC[C@H]1CC(NC(=O)c1ccccc1)C2)NCc1ccc(F)cc1 100433694 ADRMBDIZFBQREN-VXKWHMMOSA-N 409.505 3.257 0 40 HGAB CCCN1C(=O)[C@](NC(=O)CCC2CCCCC2)(C(F)(F)F)C(C(=O)OC)=C1C 12411064 DFRCWNVWAMRDTQ-IBGZPJMESA-N 418.456 3.463 0 40 HGAB COc1cc(NC(=O)[C@@H]2CC(=O)N([C@@H]3CCC[C@H](C)[C@@H]3C)C2)cc(OC)c1OC 103505056 GCEMVBADOQUYPQ-LJIGWXMPSA-N 404.507 3.324 0 40 HGAB COc1cc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)O)c3N2)cc(OC)c1OC 718645 KWYRCMJZJUBVFA-GWCFXTLKSA-N 401.341 3.267 0 40 HGAB O=C1CCC(C(=O)O[C@H](C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccccc2)=NN1 9788973 COBPFXHXAPONJN-KRWDZBQOSA-N 420.252 3.482 0 40 HGAB COc1ccc(CN(C(=O)/C=C/c2ccc(NS(C)(=O)=O)cc2)C2CC2)cc1 23626416 SOJSVPSPMAZWGX-VGOFMYFVSA-N 400.500 3.271 0 40 HGAB Cc1nc(COc2ccccc2C(=O)N[C@@H](C)c2ccc(-n3cncn3)cc2)no1 23694365 MKAHMJZPFVJEHM-AWEZNQCLSA-N 404.430 3.029 0 40 HGAB CCOc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3cc(C)ccc3C)CC2=O)cc1 21094569 WXXPBVQGXOORCA-KRWDZBQOSA-N 410.470 3.237 0 40 HGAB Cc1ccc2[nH]c(=O)c([C@H]3CC(c4ccccc4)=NN3C(=O)CCC(=O)O)cc2c1 34138343 KKPZCWONBIGSAG-HXUWFJFHSA-N 403.438 3.379 0 40 HGAB Cc1c(NS(=O)(=O)c2ccccc2Br)c(=O)n(-c2ccccc2)n1C 12535998 QYLFOQIPLNQTHU-UHFFFAOYSA-N 422.304 3.048 0 40 HGAB Cc1cccc(N2CCN(CN3C(=O)C(=O)c4c(Br)cccc43)CC2)c1 12550440 MGQZIITUDNSRPE-UHFFFAOYSA-N 414.303 3.067 0 40 HGAB COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(Br)cc1 1782135 OZCVNYGMHQVRGC-KRWDZBQOSA-N 401.260 3.445 0 40 HGAB biogenic Cc1cccc(NC(=O)Cn2c(=O)n(-c3ccccc3F)c(=O)c3sccc32)c1 57490449 IULLMSSMHQEAGX-UHFFFAOYSA-N 409.442 3.300 0 40 HGAB CCc1cc(=O)n(CC(=O)Nc2ccc(NC(C)=O)cc2)c(-c2cccc(F)c2)n1 57508306 PQCCMCHQDMSTES-UHFFFAOYSA-N 408.433 3.209 0 40 HGAB CCOc1ccc(NC(=O)Cn2c(=O)c3nnc(C(C)C)n3c3ccccc32)cc1 57522589 GRJSDFIGEMNRES-UHFFFAOYSA-N 405.458 3.205 0 40 HGAB O=C(CSc1ccccc1C(=O)NCc1ccc2c(c1)OCO2)NCc1ccco1 12688408 XLNCASXYELPBQH-UHFFFAOYSA-N 424.478 3.347 0 40 HGAB CC(=O)Nc1ccc2c(CN3C(=O)N[C@@](C)(c4ccc(C)cc4)C3=O)cc(=O)oc2c1 3357421 CZKVPCQWZXCTGM-QHCPKHFHSA-N 419.437 3.027 0 40 HGAB Cc1ccc(C)c(C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2Cl)c1 3337674 SFCAGEPTKFHBOD-UHFFFAOYSA-N 423.918 3.239 0 40 HGAB CC(C)CN(Cc1cc(-c2ccccc2)no1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 26915053 USVJSTAHXIRDAW-UHFFFAOYSA-N 411.506 3.092 0 40 HGAB Cc1cccc(NC(=O)C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)c1 10093451 JPWHHXAOOGHOMP-UHFFFAOYSA-N 404.396 3.307 0 40 HGAB Cc1ccc(OC[C@@H](C)NC(=O)CN(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1 22337021 UHXHBYHZYQZVFG-MRXNPFEDSA-N 424.950 3.307 0 40 HGAB CN(C)C(=O)Sc1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCCO2 60376739 RQZMMMZKPAKDPO-UHFFFAOYSA-N 408.501 3.422 0 40 HGAB Cc1ccc(O[C@@H](C)C(=O)N2CCN(Cc3nc(-c4cccs4)no3)CC2)cc1 22323675 JQCJMXBEYQIZMS-INIZCTEOSA-N 412.515 3.218 0 40 HGAB CC[C@@H](C)NC(=O)c1c(N)n(-c2ccc3c(c2)OCCO3)c2nc3ccccc3nc12 2399195 XNPQLGIXTDGWDK-CYBMUJFWSA-N 417.469 3.455 0 40 HGAB CC(C)CNC(=O)CN1c2ccc(Br)cc2-c2ccccc2S1(=O)=O 11120933 XSAACICZWSBMMS-UHFFFAOYSA-N 423.332 3.397 0 40 HGAB O=C(Cc1coc2cc3c(cc12)CCC3)NC[C@H]1CN(Cc2ccccc2)CCO1 12780179 PJQUDPYBCHBEFE-QFIPXVFZSA-N 404.510 3.481 0 40 HGAB CCCCc1nnc(NC(=O)c2cn(-c3ccccc3Br)nn2)s1 28964782 CQVLSONKDXHBJU-UHFFFAOYSA-N 407.297 3.476 0 40 HGAB O=C(NCc1ccc2c(c1)OCCO2)c1ccccc1SCC(=O)N1CCCC1 36733220 YTEZFHRYSBHNPG-UHFFFAOYSA-N 412.511 3.102 0 40 HGAB COc1ccc(OC)c([C@H]2CCCN2C(=O)CCn2ncc(=O)c3ccccc32)c1 12935108 ISEJSQOJJXRHRZ-LJQANCHMSA-N 407.470 3.168 0 40 HGAB CCOc1ccc(N2C[C@H](C(=O)N(C)Cc3ccc(OC)c(F)c3)CC2=O)cc1 12912218 GHSHNPBSLARXHL-MRXNPFEDSA-N 400.450 3.245 0 40 HGAB COc1ccc(OC)c([C@@H](C)NC(=O)Cn2c(S)nnc2-c2cccs2)c1 12928903 UUZMHRMFLUEWSV-LLVKDONJSA-N 404.517 3.190 0 40 HGAB CCCCOC(=O)Cn1c(=O)c(=O)n(Cc2ccccc2)c2ccc(Cl)cc21 9512868 CBJXHJOGPXPVBP-UHFFFAOYSA-N 400.862 3.208 0 40 HGAB CC1(C)Cc2c(sc3nc(SCC(=O)Nc4nccs4)nc(N)c23)CO1 5030559 YTQWGIGANFVTGK-UHFFFAOYSA-N 407.546 3.312 0 40 HGAB CCc1ccccc1N1C[C@H](C(=O)OCC(=O)Nc2ccc3c(c2)CCC3)CC1=O 5037362 VELJDTXTAZFCFT-LJQANCHMSA-N 406.482 3.273 0 40 HGAB CCCCc1c(O)nc(SCC(=O)N(CC)CC)n(-c2ccccc2OC)c1=O 13774401 CUXRBMDZIXQTHF-UHFFFAOYSA-N 419.547 3.250 0 40 HGAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)N[C@@H](C)c2ccc(F)cc2)cc1C 22539205 UATWFLJDZWCFQJ-INIZCTEOSA-N 422.522 3.421 0 40 HGAB Cc1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3cc(F)ccc3F)C2=O)cc1Cl 5218654 FKWBZSBDCOSXSG-IBGZPJMESA-N 407.804 3.332 0 40 HGAB C[C@@H](OC(=O)c1ccccc1NS(C)(=O)=O)C(=O)c1ccc(OC(F)F)cc1 4486693 HGRXFEQWWNGYNX-LLVKDONJSA-N 413.398 3.088 0 40 HGAB COc1ccc(-n2cc3c(c2-c2ccc(C)cc2)c(=O)n(C)c(=O)n3C)cc1OC 5346228 UKIMAFLBASKQLS-UHFFFAOYSA-N 405.454 3.021 0 40 HGAB Cc1occc1-c1nnc(S[C@H](C(=O)NC(N)=O)C(C)C)n1Cc1ccccc1 6532197 DFDMJAREYRTBSO-INIZCTEOSA-N 413.503 3.206 0 40 HGAB CC(=O)c1cc2c(cc1NC(=O)CSc1nnc(Cc3ccccc3)o1)OCO2 6605455 SQAFWZUVMCPLRS-UHFFFAOYSA-N 411.439 3.323 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc4c(s3)CCCCC4)CC2)cc1 5823869 HQIFIZHTBJFJJR-UHFFFAOYSA-N 418.584 3.472 0 40 HGAB COc1ccc2cc(S(=O)(=O)N3CCN(c4ccccc4F)CC3)ccc2c1 19943540 LMFBZHBBGDONJC-UHFFFAOYSA-N 400.475 3.498 0 40 HGAB CCOc1ccc(CCNC(=O)c2nn(-c3ccccc3)c(C)cc2=O)cc1OCC 7960501 GXAIUGYLJNMNDG-UHFFFAOYSA-N 421.497 3.311 0 40 HGAB O=C1CN(C(=O)N[C@@H](Cc2ccccc2)C(=O)NC2CCCCC2)c2ccccc2N1 9341779 XPZLNWMDWKODEJ-FQEVSTJZSA-N 420.513 3.215 0 40 HGAB CCOc1cc(CN2CCN(Cc3cc(OC)c(O)c(OC)c3)CC2)ccc1OC 19889654 NXWOVKANWDNHDO-UHFFFAOYSA-N 416.518 3.135 0 40 HGAB biogenic O=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1cncc(Br)c1 9612445 OUEBJZMERYOLHU-UHFFFAOYSA-N 424.320 3.271 0 40 HGAB CC[C@H]1CN(C(=O)OCc2ccccc2)[C@@H](CC)CN1C(=O)CCc1cnn(C)c1 78869541 NWXUMNLFIOQFLJ-SFTDATJTSA-N 412.534 3.391 0 40 HGAB CCCCOc1ccc(-c2nnc(CN3CC[C@@H](N4CCN(CC)CC4)C3)o2)cc1 89954824 NKYKALLLJBVABZ-HXUWFJFHSA-N 413.566 3.127 0 40 HGAB COC(=O)c1ccc(NC(=O)COC(=O)c2ccc(-c3ccc(C=O)o3)cc2)cc1 409177620 GZJQXWDHQGPTFA-UHFFFAOYSA-N 407.378 3.341 0 40 HGAB Cc1ccc2nc([C@H]3CCCCN3C(=O)Cc3ccc(-n4nnnc4C)cc3)[nH]c2c1 72389457 HLXRWFBQICNGEG-OAQYLSRUSA-N 415.501 3.452 0 40 HGAB CC(=O)Nc1ccc([C@@H](O)CN2CC=C(c3cc4nc(C)cc(C)n4n3)CC2)cc1 72342779 WEVJDQVWBUVYIA-QFIPXVFZSA-N 405.502 3.127 0 40 HGAB CN(Cc1nc(-c2ccccc2)no1)S(=O)(=O)Cc1ccc(Br)cc1 223653220 ORNNYIYKXWRAAK-UHFFFAOYSA-N 422.304 3.461 0 40 HGAB Cc1ccc(OCCNC(=O)[C@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)c(C)c1 223898093 ADRNKBXSPSVROZ-INIZCTEOSA-N 424.950 3.307 0 40 HGAB CC[C@H](C(=O)NCCc1ccc(F)cc1)N(c1ccc(C)c(C)c1)S(C)(=O)=O 224312610 QADMPJNCUJCTTI-HXUWFJFHSA-N 406.523 3.346 0 40 HGAB CCOc1ccc(N([C@H](C)C(=O)N[C@@H](C)c2ccc(C)cc2)S(C)(=O)=O)cc1 44903211 YMBIIFLRHWIYFP-DLBZAZTESA-N 404.532 3.426 0 40 HGAB CCn1c(=O)sc2cc(S(=O)(=O)N[C@@H](C)c3cc(OC)ccc3OC)ccc21 225701039 PAHYWFWXNAICMB-LBPRGKRZSA-N 422.528 3.140 0 40 HGAB CC[C@@H](NC(=O)CN(c1cccc(SC)c1)S(C)(=O)=O)c1ccc(OC)cc1 220074228 WICJGSATEAKMCU-LJQANCHMSA-N 422.572 3.451 0 40 HGAB Cc1cccc(CCCNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)c1 225533726 BEKZCTVKLCADHU-LJQANCHMSA-N 418.534 3.284 0 40 HGAB O=C(NCc1ccncc1)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl 44850046 YVMVOQLYNNLPSM-UHFFFAOYSA-N 401.875 3.466 0 40 HGAB CC(=O)Nc1cc(NC(C)=O)cc(C(=O)NCCCCN2C[C@@H](C)C[C@@H](C)C2)c1 40146745 SLNKXYIYIKMHSW-IYBDPMFKSA-N 402.539 3.091 0 40 HGAB CCc1ccc([C@H](C)NC(=O)CN(C)S(=O)(=O)c2ccc(SC)cc2)cc1 224915536 KHYGZMSRIINLHS-HNNXBMFYSA-N 406.573 3.469 0 40 HGAB O=C(c1cc(-c2cnc(-c3cccnc3)nc2)cn1CC1CC1)N1CCC[C@@H](O)C1 96088126 IUWOLHFOZPJZPT-HXUWFJFHSA-N 403.486 3.014 0 40 HGAB NC(=O)c1c(NC(=O)[C@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)O)sc2c1CCc1ccccc1-2 239203353 SEYHZYZQXTWQKY-MGBSGCIJSA-N 422.506 3.464 0 40 HGAB CC(C)[C@@H](NC(=O)COc1cccc(N2CCCC2=O)c1)c1ccc2c(c1)OCCO2 96402248 XZRIMYPDHMFTNG-XMMPIXPASA-N 424.497 3.477 0 40 HGAB CCOc1ccc(N([C@@H](C)C(=O)N[C@H](C)c2ccccc2OC)S(C)(=O)=O)cc1 260767682 OIOACVSCYUVGQO-CVEARBPZSA-N 420.531 3.126 0 40 HGAB O=C(Cn1cnc2c(-c3ccccc3)nsc2c1=O)N1CCC(c2ccccc2)=N1 608052643 BHHOSFIGNKBFFA-UHFFFAOYSA-N 415.478 3.157 0 40 HGAB CO[C@](C)(CNS(=O)(=O)c1ccc(Br)s1)c1ccccc1F 96123601 ZOMKLLRJLPONNI-CQSZACIVSA-N 408.314 3.490 0 40 HGAB Cc1noc([C@@H]2CCCN(C(=O)c3nn(-c4ccccc4)c(=O)c4ccccc34)C2)n1 54661294 RAYTWTVWPQVTFJ-MRXNPFEDSA-N 415.453 3.097 0 40 HGAB COc1ccc([C@H](O)CN2CCC3(CC2)C[C@@H](O)c2cc(F)ccc2O3)cc1OC 12329661 LVJYNKJPGVZBOW-RTBURBONSA-N 417.477 3.227 0 40 HGAB Cc1cc(C)c(C)c(S(=O)(=O)N[C@H](C)C(=O)Nc2nnc(C(C)C)s2)c1C 12787438 KZYOXPTXTBGXQV-CQSZACIVSA-N 410.565 3.201 0 40 HGAB CC[C@@H](C(=O)Nc1ccc(OC)cc1OC)N(c1ccc(C)cc1)S(C)(=O)=O 13713144 ASQNMZALMQQYOY-SFHVURJKSA-N 406.504 3.196 0 40 HGAB CCc1ccc(S(=O)(=O)NCCCn2nc(-c3ccc(F)cc3)ccc2=O)s1 13799506 DCEJYVAQWFRYFO-UHFFFAOYSA-N 421.519 3.042 0 40 HGAB CC(C)c1nn2c(=O)cc(COC(=O)c3ccccc3Br)nc2s1 15733974 IPNORZHRXVHGCJ-UHFFFAOYSA-N 408.277 3.394 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC(C(=O)N3c4ccccc4C[C@H]3C)CC2)cc1 16022687 HPCLTLQJLJVCSW-MRXNPFEDSA-N 414.527 3.074 0 40 HGAB Cc1cc(-c2cnc(NC(C)C)nc2C2CCN(C(=O)c3ccn(C)n3)CC2)on1 19123106 BYYAYRVRRVCMBI-UHFFFAOYSA-N 409.494 3.014 0 40 HGAB O=C(CCN1C(=O)NC2(CCCC2)C1=O)Nc1ncc(Cc2ccccc2F)s1 19349653 RLEWCYKUBZRJCH-UHFFFAOYSA-N 416.478 3.066 0 40 HGAB COc1ccccc1C(=O)N1CCC(c2cc(N(C)C)nc(-c3cnccn3)n2)CC1 19584742 LXBSHSOFNBCXSX-UHFFFAOYSA-N 418.501 3.028 0 40 HGAB CNC(=O)[C@@]1(Cc2cccc(-c3ccncc3)c2)CCCN(C(=O)c2cccnc2)C1 19591234 ZAPBECYDPBPULA-RUZDIDTESA-N 414.509 3.355 0 40 HGAB COC[C@@H](C)NC(=O)CN1CCc2nc(-c3ccc(C(F)(F)F)cc3)sc2C1 19719885 ODRQRVZKTDRMOP-GFCCVEGCSA-N 413.465 3.338 0 40 HGAB COc1cccc([C@H]2N=C3NCN(Cc4ccco4)CN3c3nc4ccccc4n32)c1 19960505 CDXZCTZUIYUUNE-NRFANRHFSA-N 414.469 3.381 0 40 HGAB COC(=O)c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)cc1 8092295 FVFAULUENTWGCQ-MHWRWJLKSA-N 414.414 3.287 0 40 HGAB COCc1cn(C2C[C@@H]3CC[C@H](C2)N3C(=O)Cc2cccc(C(F)(F)F)c2)nn1 1888866636 SMOPUTFRGYKWOE-JWTNVVGKSA-N 408.424 3.381 0 40 HGAB O=C([C@H]1COc2ccccc2O1)N1CCN(c2nc3c(Cl)cccc3s2)CC1 5181958 DDUTUHJKPYHVOB-MRXNPFEDSA-N 415.902 3.438 0 40 HGAB COc1ccc(Cl)c2sc(N(CCCN(C)C)C(=O)C3=COCCO3)nc12 5256933 WQYSGJYENRTGBN-UHFFFAOYSA-N 411.911 3.131 0 40 HGAB Cc1ccccc1Cn1c(=O)c2c(nc3n2C[C@H](C)CN3C2CCCCC2)n(C)c1=O 9519147 IOWCPNJSLHSVSR-MRXNPFEDSA-N 421.545 3.042 0 40 HGAB Cc1ccc(-n2c(=O)[nH]c3c(C(=O)Nc4ccccc4Cl)cn(C)c3c2=O)cc1 9820732 ZEPUIQGLTXYZBU-UHFFFAOYSA-N 408.845 3.232 0 40 HGAB COc1cc(C[C@H]2CC(CNCCc3ccc(C)cc3)=NO2)c(OC)c2c1OCO2 15081399 NXZXHNZWSKMPET-IBGZPJMESA-N 412.486 3.261 0 40 HGAB O=C(NC[C@@H](c1ccco1)N1CCc2ccccc2C1)C(=O)Nc1ccc(F)cc1 22907444 ZULJTSLWBBEOTM-FQEVSTJZSA-N 407.445 3.273 0 40 HGAB O=C(NCCc1c[nH]c2ccccc12)c1ccc(Cn2nnc3ccccc3c2=O)cc1 34201454 CELPTJYPPMAXFQ-UHFFFAOYSA-N 423.476 3.294 0 40 HGAB COC(=O)[C@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)c1ccc(Br)o1 206801979 UPPWLHWSXHLQRI-ZYHUDNBSSA-N 412.211 3.016 0 40 HGAB O=C(Cn1c(-c2nc(-c3ccccc3)no2)cccc1=O)Nc1ccc(F)cc1F 49007929 FOASVFAIXIWMBK-UHFFFAOYSA-N 408.364 3.482 0 40 HGAB C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)c2)C[C@@H](C)O1 40161044 VQDDBDIDHFCTEY-GXAQHZSOSA-N 408.564 3.039 0 40 HGAB COc1cccc(C(=O)N2CCN(Cc3ccccc3Br)CC2)c1OC 20028722 BIUSHKSDWKBUQQ-UHFFFAOYSA-N 419.319 3.424 0 40 HGAB CN(C)CCN(C(=O)c1cn(-c2ccccc2)nn1)c1cccc(Br)c1 40157911 GAODZEGQEVIDKN-UHFFFAOYSA-N 414.307 3.238 0 40 HGAB Cc1c([C@@H](O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)c2ccccc2n1C 20391294 PYCPCFCXBYTRBO-NRFANRHFSA-N 407.514 3.067 0 40 HGAB O=C1CCCc2[nH]c(=O)c(C(=O)N3CCN(Cc4csc5ccccc45)CC3)cc21 32272713 HMANVSLXIGXHMC-UHFFFAOYSA-N 421.522 3.067 0 40 HGAB COc1ccc(S(=O)(=O)NC(=O)Nc2nc(-c3ccc(F)cc3)cs2)cc1 1415015 ZOAYIUPXDGZDSU-UHFFFAOYSA-N 407.448 3.468 0 40 HGAB C[C@H](OC(=O)CNC(=O)c1ccccc1F)C(=O)Nc1cccc(C(F)(F)F)c1 2617172 MLQJVPFHYDSMGR-NSHDSACASA-N 412.339 3.145 0 40 HGAB CCOC(=O)C1CCN(C(=O)COC(=O)c2c(C)c(CC)nc3ccccc23)CC1 2622127 HDIRYTWBMUXYHN-UHFFFAOYSA-N 412.486 3.064 0 40 HGAB Cc1c(N[C@H](NC(=O)C(C)C)C(Cl)(Cl)Cl)c(=O)n(-c2ccccc2)n1C 2666969 PAHXDDCBZUQKGG-MRXNPFEDSA-N 419.740 3.365 0 40 HGAB O=C(CCn1nc(C(F)(F)F)c(Cl)c1C1CC1)NCCn1cc(Cl)cn1 2775137 TUZMYMNPEKFGTD-UHFFFAOYSA-N 410.227 3.489 0 40 HGAB COc1ccc(CNC(=O)COC(=O)c2cc3c(s2)CC[C@H](C)C3)cc1OC 3382263 QSNKEKWVOXYWMN-ZDUSSCGKSA-N 403.500 3.363 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc4c(s3)CCCC4)CC2)cc1 3532898 KEJSMMOPNJYGCY-UHFFFAOYSA-N 404.557 3.082 0 40 HGAB Cc1nnc(NC(=O)CSc2ccc(-c3ccc(-n4ccnc4)cc3)nn2)s1 4251309 VIJZSQFMDYOCKV-UHFFFAOYSA-N 409.500 3.220 0 40 HGAB Cc1ccc(S(=O)(=O)NCCC(=O)OCc2ncc(-c3ccccc3)o2)cc1 4285044 NBTPJTGCHPRKLT-UHFFFAOYSA-N 400.456 3.062 0 40 HGAB COCC(=O)N1c2ncnn2[C@@H](c2ccc(OC)cc2)C[C@H]1c1ccc(OC)cc1 4816820 GBKCTHNWPHOXND-VQTJNVASSA-N 408.458 3.009 0 40 HGAB COC(=O)C1=CN(C[C@H]2CCCO2)C=C(C(=O)OC)C1c1ccc(OC)c(Cl)c1 4986993 PTWHFCKXAUHQFO-CQSZACIVSA-N 421.877 3.041 0 40 HGAB COC(=O)c1ccc(COC(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)o1 5017537 BYTBGFFFEBEYTN-UHFFFAOYSA-N 405.834 3.315 0 40 HGAB Cc1ccc(N2C(=O)N(CC(=O)N(Cc3ccccc3F)C3CC3)C(=O)[C@H]2C)cc1 7317390 GVFPLXOUIMPKAJ-MRXNPFEDSA-N 409.461 3.482 0 40 HGAB CCN(CC(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1)Cc1ccccc1 7444991 PLCSLQGWTIROMI-UHFFFAOYSA-N 415.559 3.322 0 40 HGAB CSc1nc2nc(C)c(CC(=O)Nc3cccc(Br)c3)c(C)n2n1 7918092 GXEXZLRVSOKADJ-UHFFFAOYSA-N 406.309 3.407 0 40 HGAB CSc1nnc(CCCNC(=O)[C@@H]2COc3ccccc3O2)n1C1CCCC1 7924220 YEZIXKSCCRQIGG-KRWDZBQOSA-N 402.520 3.004 0 40 HGAB Cc1ccc(C)c(NC(=O)COC(=O)CCS(=O)(=O)c2ccc(C)c(C)c2)c1 7940036 DUAUOONVOXXCRQ-UHFFFAOYSA-N 403.500 3.266 0 40 HGAB COc1cc(/C=C2/Sc3ccccc3C2=O)ccc1OCC(=O)N1CCOCC1 8113087 ATONMRONHFSIAJ-DEDYPNTBSA-N 411.479 3.262 0 40 HGAB CC(C)c1ccc(/C=C/C(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1 8164550 QKAQAZWWCWGJDX-JLHYYAGUSA-N 412.555 3.497 0 40 HGAB COCCCNC(=O)c1ccccc1NC(=O)C1CCN(Cc2ccccc2)CC1 9062849 HUWNVZKGJGZPCW-UHFFFAOYSA-N 409.530 3.304 0 40 HGAB COc1ccc(C(=O)CSc2nnc([C@H](C)NC(=O)c3ccccc3)n2C)cc1 9327519 BOZJSFHUZLSTQS-AWEZNQCLSA-N 410.499 3.290 0 40 HGAB Cc1ccc(N2CCn3c2nc2c3c(=O)n(Cc3cccc(Cl)c3)c(=O)n2C)cc1 9406717 IEMWNSRCLZIEEK-UHFFFAOYSA-N 421.888 3.059 0 40 HGAB O=C1NC(=O)[C@]2(Cc3c(Cl)cccc3N3CCC[C@@H]32)C(=O)N1CCc1ccccc1 9433969 PFQSRJCZJHOWCJ-AUSIDOKSSA-N 423.900 3.172 0 40 HGAB COc1ccc(CN(C(=O)c2cccc(Cl)c2)[C@H]2CCS(=O)(=O)C2)cc1OC 9454302 IGNJLSIOEMHMEY-KRWDZBQOSA-N 423.918 3.187 0 40 HGAB CN(C)c1ccc(NC(=O)Cc2csc(NC(=O)c3ccc4c(c3)OCO4)n2)cc1 9573743 NBGPPEYOYGJDOG-UHFFFAOYSA-N 424.482 3.371 0 40 HGAB CCOc1ccccc1NC(=O)Cn1cc(OC)c(=O)cc1CN1CCCCCC1 9622075 BCKLLWWQVFYPFP-UHFFFAOYSA-N 413.518 3.270 0 40 HGAB Cc1ccc(S(=O)(=O)NCCn2nc(-c3ccc(Cl)cc3)ccc2=O)cc1C 9844653 OLCYNMLCNDWOSQ-UHFFFAOYSA-N 417.918 3.159 0 40 HGAB Cc1ccc(C)c(N(CCCC(=O)NCCCN2CCC(C)CC2)S(C)(=O)=O)c1 10541014 IQLBISSGVUAHOQ-UHFFFAOYSA-N 423.623 3.088 0 40 HGAB CCS(=O)(=O)N1CCCc2ccc(NC(=O)c3ccc(OC)cc3OC)cc21 11025662 SYFQBKYSLSTGKB-UHFFFAOYSA-N 404.488 3.058 0 40 HGAB O=C1CCN(Cc2cccn2-c2ccccn2)CCN1CCOc1ccc(F)cc1 12078107 FMOWQOLLSZUYPH-UHFFFAOYSA-N 408.477 3.125 0 40 HGAB COc1ccc(Cl)cc1NC(=O)Cn1cnc2c(cnn2-c2ccccc2C)c1=O 12237656 DVFQQIPAJLMXHZ-UHFFFAOYSA-N 423.860 3.191 0 40 HGAB C[C@@H]1CN(C[C@H](O)COc2ccc(Br)cc2Br)C[C@@H](C)O1 12420335 ZNGPEHWUSWLOND-WZRBSPASSA-N 423.145 3.061 0 40 HGAB COc1ccc(C(=O)NCc2cc(OC)c(OC)cc2OC)cc1Br 12767700 PCNKFNVEHFYZQV-UHFFFAOYSA-N 410.264 3.414 0 40 HGAB Cc1cccc(-c2nn(CN(CC(C)C)[C@H]3CCS(=O)(=O)C3)c(=S)n2C)c1 12773847 RWEINROETJHTJR-KRWDZBQOSA-N 408.593 3.029 0 40 HGAB CCN(CC)S(=O)(=O)c1cccc(C(=O)N(CCOC)Cc2cccs2)c1 12803437 RZVLDXSBASADHJ-UHFFFAOYSA-N 410.561 3.067 0 40 HGAB Cc1cc(C)cc(-n2ncc3c(=O)n(C[C@@H](O)COc4ccc(C)cc4C)cnc32)c1 12865067 VJCKODQISLIXCD-HXUWFJFHSA-N 418.497 3.256 0 40 HGAB CCN(CC(=O)NCc1ccc(Cl)cc1)Cc1nc2cc(Cl)ccc2c(=O)[nH]1 13040097 AOYRWKNQCZUMGL-UHFFFAOYSA-N 419.312 3.368 0 40 HGAB O=C(/C=C/c1c(F)cccc1Cl)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 13119840 ZKPDGBYNPYUUOO-BQYQJAHWSA-N 424.881 3.152 0 40 HGAB Cc1cc(N(CC(=O)N2CCc3ccccc32)S(C)(=O)=O)ccc1Br 13649197 WTTITVOHPUHUKU-UHFFFAOYSA-N 423.332 3.113 0 40 HGAB Cc1cc(S(N)(=O)=O)cc(NC(=O)CN(C)Cc2ccc(C(C)(C)C)cc2)c1C 15452457 SXFCTRMKHDAVTR-UHFFFAOYSA-N 417.575 3.319 0 40 HGAB O=C(COC(=O)c1cc(=O)[nH]c2ccccc12)NCc1ccc(Cl)cc1Cl 16051027 UGNZBSCGBWHKJG-UHFFFAOYSA-N 405.237 3.308 0 40 HGAB NS(=O)(=O)c1ccc(CCNCc2cccc(OCc3ccc(F)cc3)c2)cc1 16399582 WCXKKAFWEQPOFU-UHFFFAOYSA-N 414.502 3.384 0 40 HGAB Cc1cccc2cc(CN(CCN3CCOCC3)C(=O)Nc3ccccc3)c(=O)[nH]c12 19236491 OYQWDOORPGZWNS-UHFFFAOYSA-N 420.513 3.203 0 40 HGAB Cc1cnc(-c2nc3c(c(=O)[nH]2)CCN(Cc2cccc(Cl)c2Cl)C3)cn1 19239060 GQCIQCQIEHEKCW-UHFFFAOYSA-N 402.285 3.400 0 40 HGAB Cc1cnc(-c2nnc([C@H]3CCCN(S(=O)(=O)c4cccc(Cl)c4)C3)o2)cn1 19239137 HTGOUZWSXHPMGX-ZDUSSCGKSA-N 419.894 3.057 0 40 HGAB C[C@@H]1C[C@@H]1C(=O)N1CCCC[C@@H]1c1nc(=O)c2c([nH]1)CN(Cc1cccs1)CC2 19463383 KGTBTABUXNEZMY-DKSSEZFCSA-N 412.559 3.099 0 40 HGAB O=C(Nc1cccc(N2CCCCS2(=O)=O)c1)c1ccccc1CN1CCCC1 19654707 LPVLYIYDEOAHSE-UHFFFAOYSA-N 413.543 3.465 0 40 HGAB COc1ccc(NC(=O)CN2CCC[C@@H]2c2cc(-c3cnc(N)nc3)cc(C)n2)cc1 19690952 LFTKZJGGIDWQOK-OAQYLSRUSA-N 418.501 3.213 0 40 HGAB COC[C@@H](C)NC(=O)CN1CCC(c2cc(Cc3ccc(F)cc3)cc(C)n2)CC1 19691822 BDGWICNOWLOUBD-GOSISDBHSA-N 413.537 3.450 0 40 HGAB CN(C)Cc1cnc2ccnn2c1CC1CCN(C(=O)CCc2ccc(F)cc2)CC1 19704728 HRYVAHXNJGRAQF-UHFFFAOYSA-N 423.536 3.344 0 40 HGAB CC[C@@H](NC(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O)c1ccc(C)cc1 20487833 UXIYXAQMQJEXAY-HXUWFJFHSA-N 402.516 3.231 0 40 HGAB CC(C)N1C(=O)c2ccccc2N2C(=O)CC[C@]21C(=O)OCc1cccc(F)c1F 21740735 FCWNWVAQTLNXJK-JOCHJYFZSA-N 414.408 3.396 0 40 HGAB COc1ccc(C(=O)N[C@H](C)c2ccc(F)cc2)cc1S(=O)(=O)N1CCCCC1 22537866 HKOGYOHVPFLFMH-OAHLLOKOSA-N 420.506 3.500 0 40 HGAB C[C@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CN1CCN(C/C=C/c3ccccc3)CC1)C2=O 22912904 SCBRETFCOAJVSN-LTRCOCNDSA-N 424.589 3.412 0 40 HGAB O=C(OCc1noc(-c2ccco2)n1)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O 23944964 ZXLZOQUDMJEYKD-UHFFFAOYSA-N 419.349 3.076 0 40 HGAB Cc1c(C(=O)OCCOc2ccc(S(=O)(=O)N(C)C)cc2)oc2ccc(F)cc12 24421080 DWRFNKCKWOBNRV-UHFFFAOYSA-N 421.446 3.366 0 40 HGAB COc1ccc(NS(=O)(=O)c2ccccc2OC(F)(F)F)cc1NC(C)=O 24437842 XPAOMMYJAJOOKC-UHFFFAOYSA-N 404.366 3.353 0 40 HGAB O=C(N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1)C1CCN(C(=O)C2CC2)CC1 25033781 VVAOOUZOKMLELI-QFIPXVFZSA-N 402.498 3.417 0 40 HGAB COC(=O)c1cnc(NC(=O)C2(S(=O)(=O)c3ccc(C)c(C)c3)CCCC2)s1 29056450 GLSBZZULQACWNQ-UHFFFAOYSA-N 422.528 3.272 0 40 HGAB COc1ccccc1N1C(SCc2ccc(F)cc2)=N[C@H]2CS(=O)(=O)C[C@@H]21 32639910 QXVKFVLTQXYGEN-RDJZCZTQSA-N 406.504 3.109 0 40 HGAB Cc1ccc(NC(=O)c2c(N3C(=O)[C@@H]4[C@H]5CC[C@H](O5)[C@@H]4C3=O)sc3c2CCC3)cc1 36007143 XAOGRONEMHVGDY-FDCRZUCXSA-N 422.506 3.464 0 40 HGAB O=C(COC(=O)c1ccc(N2C(=O)CCC2=O)cc1)Nc1cccc(C(F)(F)F)c1 39477007 ZDZUTMOHLZXHGV-UHFFFAOYSA-N 420.343 3.154 0 40 HGAB C[C@H](NC(=O)OCc1ccccc1)C(=O)NC[C@H](c1ccccc1Cl)N(C)C 39976131 WOCMOECVIBGTKX-HNAYVOBHSA-N 403.910 3.374 0 40 HGAB C[C@H]1CCCCN1Cc1ccccc1CNC(=O)[C@@H]1CCCN(c2cnccn2)C1 40112353 KPIAYDSUOSVHKF-SIKLNZKXSA-N 407.562 3.384 0 40 HGAB CCN(CC)C(=O)N1CCC[C@H](C(=O)Nc2cccc(NC(=O)c3cccnc3)c2)C1 40133466 GCKWPJLUQKBCKT-SFHVURJKSA-N 423.517 3.446 0 40 HGAB CCOc1ccc(C(=O)Cn2nc3ccc(-c4ccc(Cl)cc4)nn3c2=O)cc1 67206986 UWFMYIFTBPENNI-UHFFFAOYSA-N 408.845 3.493 0 40 HGAB Cc1cc2nc(SCC(=O)Nc3nccs3)n(-c3ccc(F)cc3)c(=O)c2[nH]1 67239409 DHIYMRSTBWCZLC-UHFFFAOYSA-N 415.475 3.349 0 40 HGAB CCCOc1ccc(S(=O)(=O)NC[C@](O)(c2ccccc2)C(F)(F)F)cc1 70762813 HFACDRNRMHXKFT-KRWDZBQOSA-N 403.422 3.204 0 40 HGAB Cc1cccc(Nc2cncc([C@H]3CCCN3S(=O)(=O)c3c(C)noc3C)n2)n1 72376390 YMWHSWWVROEQST-MRXNPFEDSA-N 414.491 3.054 0 40 HGAB CN1C(=O)C[C@H](C(=O)Nc2nnc(CCc3ccccc3)s2)[C@@H]1c1ccccc1 72400609 AKAYBRCWMJZOKZ-PXNSSMCTSA-N 406.511 3.481 0 40 HGAB COc1ccc(Cl)cc1NC(=O)COc1coc(CN2CCCCC2)cc1=O 72401045 LPFFQBYNCIYEQD-UHFFFAOYSA-N 406.866 3.305 0 40 HGAB COc1ccccc1Cc1noc(C2CN(C(=O)c3cc(-c4ccco4)on3)C2)n1 77191244 JNPLNASBPUJPKE-UHFFFAOYSA-N 406.398 3.157 0 40 HGAB Cc1cc(Cl)ccc1S(=O)(=O)N[C@H]1CCS(=O)(=O)c2ccc(Cl)cc21 79108206 GKZWKGOIFOAFTJ-AWEZNQCLSA-N 420.339 3.499 0 40 HGAB O=C(NCCc1c[nH]c2ccc(F)cc12)[C@@H]1CCCN(c2ccc(Cl)nn2)C1 79479228 BLOUOTFOELBWPD-CQSZACIVSA-N 401.873 3.326 0 40 HGAB COC(=O)Cn1nc(C)c(CNC(=O)[C@@H]2C[C@@H]2c2cccc(C(F)(F)F)c2)c1C 89512621 LFPCMSGPUKCERZ-HZPDHXFCSA-N 409.408 3.112 0 40 HGAB Cc1cc(Br)cn2c(CN3CCN(C(=O)OC(C)(C)C)CC3)cnc12 94992588 GGKJKLIPMKZRTA-UHFFFAOYSA-N 409.328 3.458 0 40 HGAB CCOc1cc(CNC[C@@H]2CCCN2CC)ccc1Oc1nnnn1-c1ccccc1 96319053 LOGLACYTPGZRNM-FQEVSTJZSA-N 422.533 3.427 0 40 HGAB CCS(=O)(=O)c1ccc(C(=O)/N=c2/sc3c(C)ccc(OC)c3n2C)cc1 101072988 IOLDKVAMGLWNJM-FMQUCBEESA-N 404.513 3.092 0 40 HGAB COc1ccc(NC(=O)[C@H]2CC[C@H](Cn3nnc4ccccc4c3=O)CC2)c(OC)c1 102433538 NOGXPMWUROQFKT-IYBDPMFKSA-N 422.485 3.254 0 40 HGAB COc1ccc(Cl)cc1N1C[C@H](C(=O)/N=c2/sc3ccccc3n2C)CC1=O 104992331 XRQFWQSLHKNYJU-HFKJBHFQSA-N 415.902 3.382 0 40 HGAB CCCN(CC(=O)N(C)[C@@H]1CCS(=O)(=O)C1)[C@H](C)c1ccc(Cl)c(Cl)c1 105663661 CBBWLCMQQPCCPE-UKRRQHHQSA-N 421.390 3.412 0 40 HGAB Cc1ccc([C@@H](C)NC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 105848893 AHMVOSIGVWIBGW-MRXNPFEDSA-N 404.507 3.412 0 40 HGAB CCOc1ccccc1NC(=O)CCCN(c1ccc(OC)cc1)S(C)(=O)=O 113962361 HWOIYEROQNFYEO-UHFFFAOYSA-N 406.504 3.279 0 40 HGAB CCOc1ccc([C@@H](C)NC(=O)CN(c2ccccc2OCC)S(C)(=O)=O)cc1 216266754 JACGVFBGYVXSIS-MRXNPFEDSA-N 420.531 3.127 0 40 HGAB CC(C)Oc1ccc(NC(=O)CCCN2C(=O)c3ccccc3S2(=O)=O)cc1 219438783 RALSAJJSWDTQIA-UHFFFAOYSA-N 402.472 3.037 0 40 HGAB Cc1cc(C(=O)Nc2ccccc2C(=O)NCC(C)C)ccc1N(C)S(C)(=O)=O 222474216 HBARMLZAPDHSBT-UHFFFAOYSA-N 417.531 3.029 0 40 HGAB CCOc1ccc(N(CC(=O)NCc2cc(CC)ccc2CC)S(C)(=O)=O)cc1 223757816 FNOUBKLSBRMMPL-UHFFFAOYSA-N 418.559 3.293 0 40 HGAB CCc1cc(S(=O)(=O)N(C)Cc2nc(-c3ccc(OC)cc3)no2)ccc1OC 223781589 LYOGIPOSNPXASQ-UHFFFAOYSA-N 417.487 3.137 0 40 HGAB Cc1ccc(OCCNC(=O)c2ccc(N(C)S(C)(=O)=O)c(C)c2)cc1Cl 224180630 XCFMTJGLOMAJPJ-UHFFFAOYSA-N 410.923 3.161 0 40 HGAB Cc1ccc(S(=O)(=O)N(C)[C@@H](Cc2cccc(Br)c2)C(=O)O)cc1 225159175 SVECIRUQIVCPSU-INIZCTEOSA-N 412.305 3.074 0 40 HGAB CNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)Cc1ccccc1C 225495983 JILLNFNOMFRSQC-HNNXBMFYSA-N 403.320 3.463 0 40 HGAB C[C@@H](NC(=O)C(=O)NC[C@@](O)(c1ccsc1)c1cccs1)c1ccccc1 253399759 JXFZUTQDKVMCBG-JLTOFOAXSA-N 400.525 3.039 0 40 HGAB COc1cccc(Cc2cccc([C@H]3CN(C(=O)Cc4ccccn4)CCO3)n2)c1 257252492 JUZLQYRVJKMWJJ-HSZRJFAPSA-N 403.482 3.219 0 40 HGAB Cc1ccc(C(=O)N2CC[C@H]3O[C@H]4c5ccccc5OC(C)(C)[C@@H]4C[C@H]32)c(=O)n1C 257303651 SIBRSYOFYOIAIL-UKAVVXHISA-N 408.498 3.226 0 40 HGAB Cc1cccc(N([C@H](C)C(=O)NCCOc2ccc(C)c(Cl)c2)S(C)(=O)=O)c1 260892276 XGKHJHQHVWESQO-MRXNPFEDSA-N 424.950 3.307 0 40 HGAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)N[C@H](C)c1cc(C)c(C)cc1C)O2 260939049 QDEWNUFDXRDVAV-DYESRHJHSA-N 416.543 3.325 0 40 HGAB CC1=CC[C@H]2C(=O)N(c3cccc(C(=O)Nc4ccc(C(=O)O)cc4)c3)C(=O)[C@@H]2C1 408684292 OQKFZJVGZYSRKJ-RTBURBONSA-N 404.422 3.483 0 40 HGAB COc1ccc(OCC(=O)N2N=C(c3ccc(C)cc3)C[C@@]2(O)C(F)(F)F)cc1 409343833 JBAHXYFIRJQPNU-LJQANCHMSA-N 408.376 3.270 0 40 HGAB O=C(N[C@H](Cc1ccccc1)C(=O)N[C@H](CO)CC1CCCC1)c1cccs1 513931992 QBBNJJVKMDZLKZ-RBUKOAKNSA-N 400.544 3.147 0 40 HGAB O=C(NC[C@H](c1cccc(Cl)c1)N1CCOCC1)c1cccc(Cn2ccnc2)c1 537245940 OTMCJZMFQNPBSX-JOCHJYFZSA-N 424.932 3.388 0 40 HGAB COC1(c2nc(C3CCOCC3)no2)CCN(Cc2cnc3c(C)cccn23)CC1 578086977 WNQGCOWTJQYMRE-UHFFFAOYSA-N 411.506 3.057 0 40 HGAB COCCNC(=O)CC1CCC2(CC1)CCN(C(=O)Cc1cccc(F)c1)CC2 585101530 UMDOCHNWUANVFU-UHFFFAOYSA-N 404.526 3.320 0 40 HGAB Cc1cc(OC[C@@]2(O)CN(C[C@]3(O)CC[C@@H](C(C)(C)C)CC3)CC[C@@H]2O)ccc1F 585285240 DDPVFAHGCOMUKZ-CJOZULMCSA-N 423.569 3.278 0 40 HGAB O=C(CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]12)N1CCc2ccccc2C1 604419528 CSCHRWHXEHSLFO-XMMPIXPASA-N 423.472 3.386 0 40 HGAB O=C(c1ccc(O)cc1)C1CCN(C(=O)Nc2ccn(-c3ncccc3F)n2)CC1 677635912 VRDXKYOPSFRFJL-UHFFFAOYSA-N 409.421 3.239 0 40 HGAB Cc1noc(C)c1CC(=O)N1C[C@H]2CN(c3nc4ccccc4n3C(C)C)C[C@@H]2C1 1888900945 FZJIJCPTHYLLIJ-ROUUACIJSA-N 407.518 3.359 0 40 HGAB Cc1noc(C)c1CCC(=O)N1CC[C@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@@H]21 1889136062 SXBICTRMXKTSPT-YOEHRIQHSA-N 408.424 3.375 0 40 HGAB CC(C)(C)c1cc(C(=O)N2CC[C@@H]3CN(c4cc(C(F)(F)F)ccn4)C[C@@H]32)[nH]n1 2087144439 CKOJYVQPLKWSHT-DOMZBBRYSA-N 407.440 3.472 0 40 HGAB COc1ccccc1N1CCN(C(=O)CN2C(=O)c3cccc4cccc2c34)CC1 639797 FSLJGPFQJAAUPQ-UHFFFAOYSA-N 401.466 3.157 0 40 HGAB CC(=O)c1cccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c1 789485 LHKQHYYHQZEHTO-UHFFFAOYSA-N 400.500 3.237 0 40 HGAB COCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccc(C(=O)OC)cc1 2227964 FUNRIEUWQOZGOI-LJQANCHMSA-N 407.422 3.161 0 40 HGAB CCOC(=O)C1CCN(C(=O)c2cc(Br)ccc2OC(F)F)CC1 2791386 CGZULYJTAPVRHU-UHFFFAOYSA-N 406.223 3.466 0 40 HGAB Cc1nnc(NC(=O)[C@@H](C)Sc2nnc(COc3c(C)cccc3C)n2C)s1 4736433 LVZKQEYKOWYZJZ-GFCCVEGCSA-N 418.548 3.290 0 40 HGAB CC(=O)c1cccc(NC(=O)CSc2nnnn2-c2ccc(F)c(Cl)c2)c1 4968106 PPADZDYXVNIGCV-UHFFFAOYSA-N 405.842 3.388 0 40 HGAB O=C(OCCN1C(=O)c2ccccc2S1(=O)=O)c1cc2c(s1)CCCCC2 5361855 JEOYCQDZVDBOIG-UHFFFAOYSA-N 405.497 3.019 0 40 HGAB CCCOc1ccc([C@H]2NC(=S)NC(C)=C2C(=O)OCCOC)c(OCCC)c1 5866345 ILCPYUCVXRGRGK-LJQANCHMSA-N 422.547 3.247 0 40 HGAB CC(=O)c1c(C)[nH]c(C(=O)COC(=O)CNC(=O)c2ccc(C(C)(C)C)cc2)c1C 6028070 ZPZSAOXRXCODDJ-UHFFFAOYSA-N 412.486 3.288 0 40 HGAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2nnc(-c3ccncc3)n2C)c1C 6139306 SVRSIANCMRUNSQ-CYBMUJFWSA-N 413.503 3.362 0 40 HGAB COc1cccc(OC)c1C(=O)NC(=S)Nc1cccc(NC(=O)C(C)C)c1 6325132 WROFCODJYXVDQE-UHFFFAOYSA-N 401.488 3.425 0 40 HGAB CCc1ccccc1Nc1nc(N)nc(CN(C)C[C@@H]2COc3ccccc3O2)n1 6586954 AQLJYSPSGPMSEI-MRXNPFEDSA-N 406.490 3.032 0 40 HGAB Cc1ccc(NC(=O)Cn2c(=O)n(Cc3ccco3)c(=O)c3sccc32)c(C)c1 6678754 BPXQLMNFOLCBLD-UHFFFAOYSA-N 409.467 3.122 0 40 HGAB COC(=O)c1ccc(NC(=O)COC(=O)CCC(=O)Nc2cccc(Cl)c2)cc1 8413877 YYIQDAODHYBRJP-UHFFFAOYSA-N 418.833 3.027 0 40 HGAB O=C(c1ccccc1)N(Cc1ccc2c(c1)OCO2)Cc1nc2ccccc2c(=O)[nH]1 8582800 LYIAJEQNDJUKBI-UHFFFAOYSA-N 413.433 3.494 0 40 HGAB C[C@@H](OC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)C(=O)NC1CCCCC1 9011408 BZMXVHMOEQJFEM-CQSZACIVSA-N 424.453 3.070 0 40 HGAB C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)c2cccc(-n3cccc3)c2)C1=O 9216926 YBJITXWRMBKSIC-QHCPKHFHSA-N 402.454 3.065 0 40 HGAB Cc1ccc2c(c1)[C@@]1(C(=O)N2)[C@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@@H]2[C@H]2CCCN21 9332820 VLLJMMUWEYSLRX-ZQAYVECASA-N 421.884 3.080 0 40 HGAB CCCn1c(S[C@H](C)C(=O)NC[C@@H]2CCCO2)nc2cc(Cl)ccc2c1=O 9398836 CCEYCDUPPKQQPS-OCCSQVGLSA-N 409.939 3.236 0 40 HGAB O=C(CCn1[nH]c(=O)c2ccccc2c1=O)N1CCC[C@@H]1c1nc2ccccc2s1 9449021 KFHVPOIDTLHADJ-QGZVFWFLSA-N 420.494 3.053 0 40 HGAB O=C(CN(Cc1ccco1)S(=O)(=O)c1ccccc1F)NC1CCCCCC1 9501013 FGTFWKUQNNSBPP-UHFFFAOYSA-N 408.495 3.449 0 40 HGAB CC(=O)Nc1ccc(NC(=O)[C@@H](C)N(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1 10338430 WKTKVTKTTXGGDD-CYBMUJFWSA-N 423.922 3.400 0 40 HGAB Cc1nc(C(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)nn1-c1ccc(Cl)cc1 10969382 MNBOFYAHKKBYDJ-LBPRGKRZSA-N 418.906 3.124 0 40 HGAB COC(=O)CSc1nc2c(c(=O)n1-c1ccc(OC(F)(F)F)cc1)SCC2 12140615 YLFKGISERHHEGI-UHFFFAOYSA-N 418.418 3.044 0 40 HGAB COc1ccc(CNc2nc(O)cc([C@@H]3CNC[C@H]3c3cccc(OC)c3)n2)cc1 12163709 RHCMDRBSNKYCRJ-VQTJNVASSA-N 406.486 3.282 0 40 HGAB CC(C)n1c(=O)oc2cc(S(=O)(=O)N3CCCC[C@H]3CN3CCCCC3)ccc21 12220620 FKBXPEYNLYAUGW-KRWDZBQOSA-N 421.563 3.205 0 40 HGAB COc1ccc(CC(=O)N2CCC[C@@H](c3nc4ccc(F)cc4cc3C(N)=O)C2)cc1 12328474 QXPYVOIOQSNSFK-MRXNPFEDSA-N 421.472 3.430 0 40 HGAB O=c1nc2s/c(=C/c3ccc(Cl)cc3Cl)c(=O)n2nc1-c1ccccc1 12376867 JUJRULUOLGPUHF-RIYZIHGNSA-N 402.262 3.033 0 40 HGAB CCOc1cc2c(cc1CNC(=O)[C@@H]1CCCN1C(=O)c1cccs1)O[C@@H](C)C2 12601350 ZDKUKQLDOURVAX-YOEHRIQHSA-N 414.527 3.391 0 40 HGAB O=C(NCCC(=O)N1CCC[C@@H](C(F)(F)F)C1)c1ccc(Br)cc1 12817827 OAJGWXCWRYBQEI-GFCCVEGCSA-N 407.230 3.370 0 40 HGAB C[C@H]1C(=O)N(C[C@@H](O)COc2ccc(Br)cc2)C(=O)N1c1ccccc1 12845988 HZNVWPPGXNKQSD-XJKSGUPXSA-N 419.275 3.046 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(CNC(=O)NCc2cccc(Cl)c2)cc1 12982147 SPYNKYKZEXGNJY-UHFFFAOYSA-N 409.939 3.370 0 40 HGAB Cc1ccc(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)OCCCO3)c(Cl)c1 13008701 VDIADRWYYMGIBK-UHFFFAOYSA-N 424.906 3.117 0 40 HGAB CCCCCN(C(=O)NC(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2)S(C)(=O)=O 13014978 FBXXZLGLCSEVER-ZIUDEIKKSA-N 413.584 3.462 0 40 HGAB COc1ccc(/C=C2\SC(=O)N(CCNC(=O)CCc3ccccc3)C2=O)cc1 13148958 KCBLVZZMAWVSBP-CYVLTUHYSA-N 410.495 3.481 0 40 HGAB Cc1nc(COc2ccc(C(=O)N3CCN(C(=O)c4ccco4)CC3)cc2)cs1 14200590 HIJUNABPRFZDHG-UHFFFAOYSA-N 411.483 3.222 0 40 HGAB Cc1ccc(C)c([C@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)c1 14573724 ZJLQMIQNTGEXIW-SFHVURJKSA-N 416.543 3.124 0 40 HGAB COc1c(O)cc2oc(-c3ccc(O)c(CC[C@@H](C)CO)c3)c(OC)c(=O)c2c1O 14648347 VLVYYPSDJMDDBM-LLVKDONJSA-N 416.426 3.155 0 40 HGAB biogenic O=C1/C(=C/c2cc3c(cc2Br)OCO3)NC(=S)N1Cc1ccco1 15254359 NGWXAHDVMMGECG-QCDXTXTGSA-N 407.245 3.029 0 40 HGAB O=C(Nc1cccc(C(F)(F)F)c1)N[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 16047661 CPZYSOAUSPFYGT-CQSZACIVSA-N 421.375 3.404 0 40 HGAB Cc1cc2nc([C@@H]3CCCN3C(=O)C[C@@]3(C)C(=O)N=C4C=CC=CN43)[nH]c2cc1C 19125319 AUOAMZHKFUPMDC-MBSDFSHPSA-N 403.486 3.316 0 40 HGAB Cn1ncc(-c2ccnc(N3CCCC3)n2)c1[C@@H]1CCCN1C(=O)c1ccccc1 19288619 WQAURMXMVIZRQM-FQEVSTJZSA-N 402.502 3.455 0 40 HGAB CC(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCN(C(=O)[C@@H]4CCCO4)C3)cc2N1 19451316 XIEUEJSGLYGBGP-BFJAYTPKSA-N 400.445 3.322 0 40 HGAB COc1ccc2[nH]c3c(c2c1)CN(C(=O)CCc1nc(-c2ccccn2)no1)CC3 19563319 DEELEXHBTKJKRJ-UHFFFAOYSA-N 403.442 3.139 0 40 HGAB Cc1nc([C@H]2CCCCN2C(=O)c2cccnc2)ncc1C(=O)NCc1ccccc1 19766385 QDAKENYVMOAFDH-OAQYLSRUSA-N 415.497 3.477 0 40 HGAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(NS(=O)(=O)CC)cc1 19886494 WMOKJWDHWWWWFS-CQSZACIVSA-N 403.504 3.229 0 40 HGAB COc1ccc(Cl)cc1S(=O)(=O)NCCc1csc(-c2ccccn2)n1 19942430 VLOSAQRJLDBWHW-UHFFFAOYSA-N 409.920 3.388 0 40 HGAB CCOc1ccccc1CNC(=O)[C@@H](C)N(c1cc(C)cc(C)c1)S(C)(=O)=O 20459909 RCXQLPHOAYGPKV-QGZVFWFLSA-N 404.532 3.173 0 40 HGAB Cc1cc(C(=O)O[C@@H](C)C(=O)Nc2ncnc3nc[nH]c23)c(C)n1Cc1cccs1 22187827 KXQAPSNAXNGUJE-ZDUSSCGKSA-N 424.486 3.065 0 40 HGAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)cc1C 22539459 DEFGZDNGXJDFGP-HUUCEWRRSA-N 408.495 3.077 0 40 HGAB CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)c1cnn(-c2ccccc2)n1 23120961 QTOJCLARAQKQPM-UHFFFAOYSA-N 422.876 3.210 0 40 HGAB CCOc1ccc(NC(=O)CN(C)C(=O)c2cnc3ccccc3n2)cc1OCC 23533311 CRKPAUXFVUNOOI-UHFFFAOYSA-N 408.458 3.138 0 40 HGAB CCN1CCN(C(=O)[C@@H](C)NC[C@@H](c2ccccc2)c2c[nH]c3ccccc23)CC1 24177946 VAXIYHFGOSSRCP-KNQAVFIVSA-N 404.558 3.442 0 40 HGAB O=C(OCc1ccc(C(=O)N2CCCC2)cc1)c1ccc(S(=O)(=O)C(F)F)cc1 25700226 LNUIQDVBSLNYRE-UHFFFAOYSA-N 423.437 3.276 0 40 HGAB CN(C)CC(C)(C)CNC(=O)c1cc(Br)cc(Br)c1O 25703352 VLXOAKIQLNWNOJ-UHFFFAOYSA-N 408.134 3.235 0 40 HGAB O=C(Cc1csc(-c2cccs2)n1)N(Cc1ccco1)[C@H]1CCS(=O)(=O)C1 25818630 CKQISQKGUGWSSP-AWEZNQCLSA-N 422.553 3.223 0 40 HGAB COc1ccc(C(=O)CCC(=O)Nc2cccc(-c3nnnn3C3CC3)c2)cc1OC 27181241 OFISEMKDRUKSQC-UHFFFAOYSA-N 421.457 3.294 0 40 HGAB COc1ccc(CN2C[C@@H](C(=O)Nc3cccc(Br)c3)CC2=O)cc1 28580730 FXTNZTJROXRIHL-AWEZNQCLSA-N 403.276 3.445 0 40 HGAB CCOc1cc2c(cc1CNC(=O)CCN1C(=O)c3ccc(C)cc3C1=O)O[C@H](C)C2 29704686 LEDWICYYSVQRKL-OAHLLOKOSA-N 422.481 3.020 0 40 HGAB CNC(=O)[C@H]1CN(C(=O)c2sc3cccc(F)c3c2COC)c2ccccc2O1 29767823 XQUYILZEGBGIGY-MRXNPFEDSA-N 414.458 3.341 0 40 HGAB CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCN(CC(=O)Nc2ccccc2)CC1 29986440 OBLWUKQOLRMHMU-UHFFFAOYSA-N 415.921 3.280 0 40 HGAB O=C(NCCSCc1ccc(Br)s1)c1ccc(-n2cnnn2)cc1 30203811 CEMJTENCHKMICK-UHFFFAOYSA-N 424.349 3.150 0 40 HGAB COc1ccc(CSC2=N[C@@H]3CS(=O)(=O)C[C@H]3N2c2ccc(C)cc2)cc1 32639760 NELOUFMUSBJBJU-RTBURBONSA-N 402.541 3.279 0 40 HGAB O=C(NCc1ccccc1Cn1ccnc1)[C@H]1CCCN(C(=O)c2cccs2)C1 32760312 FPZMRCCTGNMSAP-IBGZPJMESA-N 408.527 3.162 0 40 HGAB NC(=O)N[C@@H](CC(=O)NCCc1ccccc1F)c1ccc(Br)cc1 32796273 KGJMPEAIYGAORG-INIZCTEOSA-N 408.271 3.047 0 40 HGAB O=C(NCCCN1CCCCCC1=O)c1cnn(-c2ccccc2F)c1-n1cccc1 32796519 WJPWRKXNMCFPHX-UHFFFAOYSA-N 423.492 3.325 0 40 HGAB COc1ccccc1[C@@H](NC(=O)N[C@H](C)c1ccc2c(c1)OCO2)c1nccn1C 32802544 HKWAXMIYQIZRFV-JLTOFOAXSA-N 408.458 3.307 0 40 HGAB C[S@](=O)Cc1cccc(C(=O)NC[C@@H](c2ccccc2Cl)N2CCOCC2)c1 32818231 IYPJUFCQKRWIKL-WTYVLRPYSA-N 420.962 3.022 0 40 HGAB COC(=O)C1CCN(C(=O)c2ccccc2OCc2cn3cccc(C)c3n2)CC1 32902316 LCKPWCANLRPYKM-UHFFFAOYSA-N 407.470 3.247 0 40 HGAB CCc1nnc(NC(=O)CCCc2nc(-c3ccc(OC)c(OC)c3)no2)s1 33000126 TTWLUTRVGMNZJN-UHFFFAOYSA-N 403.464 3.129 0 40 HGAB CN1CCN(S(=O)(=O)c2cccc(C(=O)Nc3cccc4ccccc34)c2)CC1 34863252 JTWMXZXTXXHGNA-UHFFFAOYSA-N 409.511 3.028 0 40 HGAB COCC(=O)Nc1ccc(-c2noc([C@@H]3CCCN3Cc3ccc(C)cc3)n2)cn1 35425686 VIIFOQWEOXNVCM-SFHVURJKSA-N 407.474 3.362 0 40 HGAB biogenic,in-vitro Cc1cc(Cl)cc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@H]2CCCN21 35889747 MLICOSSRVQCELY-ZHSNQQFMSA-N 421.884 3.080 0 40 HGAB Cc1c(NC(=O)c2cc3occc3n2Cc2ccc(Cl)cc2)c(C(N)=O)nn1C 36365585 JBUPQHHFQVGLOO-UHFFFAOYSA-N 411.849 3.329 0 40 HGAB O=C(COc1ccc(N2CCCC2=O)cc1)NCc1cccnc1OC1CCCC1 40089438 HNJPEIDPSPBADZ-UHFFFAOYSA-N 409.486 3.225 0 40 HGAB COc1ccc(C(F)(F)F)cc1NC(=O)C1CCC(CNS(C)(=O)=O)CC1 42381298 IZMUCSNOCOFNJA-UHFFFAOYSA-N 408.442 3.008 0 40 HGAB CC(C)Oc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 43750674 IJXAZRJZNMZGLD-UHFFFAOYSA-N 416.543 3.191 0 40 HGAB CCCC(=O)Nc1cccc(CNC(=O)[C@@H]2CC(=O)N(CCc3ccccc3)C2)c1 44663507 RDQBXDPHIUWUAE-HXUWFJFHSA-N 407.514 3.133 0 40 HGAB O=C(Nc1ccccc1)[C@H]1CCCN(C(=O)Nc2nnc(-c3ccccn3)s2)C1 47790650 LWQTUPJZDPNDOE-AWEZNQCLSA-N 408.487 3.483 0 40 HGAB CC(C)(C)OC(=O)NC1CCN(C(=O)c2cn(-c3cccc(Cl)c3)nn2)CC1 57509233 QCFRCGXVECLIMQ-UHFFFAOYSA-N 405.886 3.050 0 40 HGAB COCCn1cc(NC(=O)[C@@H]2CCCN(C(=O)c3cccc4ccccc34)C2)cn1 59257021 GWCDHQGYLZWTDX-GOSISDBHSA-N 406.486 3.174 0 40 HGAB CCS(=O)(=O)c1ccccc1C(=O)Nc1cccc(C(=O)NCc2ccccn2)c1 59284624 ICVJWLWVFGQBEE-UHFFFAOYSA-N 423.494 3.058 0 40 HGAB COc1cc(/C=C/C(=O)NCCO)cc(Br)c1OCc1ccc(C)cc1 62715525 VCCQUSURTFFAPH-BQYQJAHWSA-N 420.303 3.467 0 40 HGAB COCCn1c(SCc2ccc(N3CCCC3=O)cc2)nc2ccccc2c1=O 67258476 VEQDUMGLRWOROU-UHFFFAOYSA-N 409.511 3.462 0 40 HGAB Cc1c(C(=O)Nc2ccc(F)c(F)c2)nnn1CC(=O)Nc1ccc(F)cc1F 71327139 PPYXFQKFDXRKNJ-UHFFFAOYSA-N 407.327 3.034 0 40 HGAB O=C1N[C@@]2(COC3(CCN(C[C@H]4CCC=CO4)CC3)C2)Nc2ccc(Cl)cc21 72325619 VCYHICKOYHAHDL-IERDGZPVSA-N 403.910 3.139 0 40 HGAB Nc1ncc(-c2ccc(Cl)cc2)c([C@H]2CCCCN2S(=O)(=O)c2cn[nH]c2)n1 72377288 SEQQNKZXBZQNOQ-MRXNPFEDSA-N 418.910 3.018 0 40 HGAB Cc1cccc(CC(=O)N2CCC[C@H]2CN2Cc3ccccc3OC[C@@H]2CN(C)C)c1 72394719 IBKPXISGUJYBEX-ZEQRLZLVSA-N 421.585 3.353 0 40 HGAB CC(C)[C@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Br)C(=O)N(C)C 78413836 QQRVUKUXQDXDAS-YGRLFVJLSA-N 405.720 3.099 0 40 HGAB O=C(NC1CCN(Cc2ccccc2)CC1)C1CCN(c2ccc(Cl)nn2)CC1 79474017 UTCLIWVKHYBTTG-UHFFFAOYSA-N 413.953 3.127 0 40 HGAB COc1ccc([C@@H](O)[C@H]2CCCN2C(=O)CCc2nc(-c3ccsc3)no2)cc1 95432315 MKAIXMIZJFJEBC-YLJYHZDGSA-N 413.499 3.464 0 40 HGAB COc1ccc(OC)c([C@@H](C)NC(=O)CN(C)[C@H](C)c2ccc(-n3cncn3)cc2)c1 105705711 GBTODMZNICNMTQ-IAGOWNOFSA-N 423.517 3.155 0 40 HGAB O=C(CN1CCC[C@H]1CN1CCC[C@H]1CO)Nc1ccc(Cl)cc1C(F)(F)F 106924555 XTVBQGINVZTBSJ-GJZGRUSLSA-N 419.875 3.218 0 40 HGAB Cc1cc(C)n(Cc2ccc(C(=O)N[C@@H](C)c3ccc(S(C)(=O)=O)cc3)cc2)n1 148692200 FXBHJUDUUPEZIR-KRWDZBQOSA-N 411.527 3.443 0 40 HGAB Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)NC[C@@H]3CCCO3)c2)cc1 216404152 CQYBBTVZBNPJPM-HNNXBMFYSA-N 408.907 3.358 0 40 HGAB CCCCNS(=O)(=O)c1ccc(OCC(=O)NCc2cccc(C)c2)c(Cl)c1 222841403 ZLOWZSCELLFEIO-UHFFFAOYSA-N 424.950 3.422 0 40 HGAB CN(C)S(=O)(=O)c1ccc(CCC(=O)Nc2ccccc2Br)cc1 223043942 UZRVDVDMRMZJEU-UHFFFAOYSA-N 411.321 3.271 0 40 HGAB CCOCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(C)=O 223191858 PIRSFIITBIRWEU-QFIPXVFZSA-N 400.494 3.328 0 40 HGAB Cc1ccc(C)c(OCCNC(=O)CCCN(c2ccc(F)cc2)S(C)(=O)=O)c1 224011408 UEKSNTBUIFSSFT-UHFFFAOYSA-N 422.522 3.184 0 40 HGAB CC(C)[C@@H](C)NC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O 225192931 WHTBKRSDTWEKPT-SNVBAGLBSA-N 400.850 3.286 0 40 HGAB CSc1ncccc1C(=O)N1CCC(Cc2n[nH]c(=O)n2-c2ccccc2C)CC1 225550332 WHHQKGOOWKOHCG-UHFFFAOYSA-N 423.542 3.081 0 40 HGAB O=C(c1cc(-c2ccc(Cl)cc2)n[nH]1)N1CCN(c2cc3c(nn2)CCCC3)CC1 225791746 SHYRWFLSIGFNRC-UHFFFAOYSA-N 422.920 3.361 0 40 HGAB CCOC(=O)COc1ccc(NC(=O)C(C)(C)NC(=O)OCc2ccccc2)cc1 225924933 YDQWQAGDOAHPRY-UHFFFAOYSA-N 414.458 3.272 0 40 HGAB O=C(Cc1ccc(F)cc1)N1CCC[C@]2(CC1)CN(c1ccc(F)cc1)C(=O)CO2 257216861 CWJVPPKBGDQYCP-QHCPKHFHSA-N 414.452 3.322 0 40 HGAB CCCN1CCN(C(=O)c2ncc[nH]2)C[C@@H](Cc2ccccc2-c2ccncc2)C1=O 257254130 KBSYVYAMIPDBGP-HXUWFJFHSA-N 417.513 3.025 0 40 HGAB Cc1cc(Nc2nncs2)cc([C@@H]2CN(C(=O)c3sc(C)nc3C)CCO2)n1 257315687 VCKVOVBFDZRDTF-HNNXBMFYSA-N 416.532 3.272 0 40 HGAB CC(C)NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1cc(Cl)ccc1Cl 408596840 SNMWAFXDEJEXNP-MRXNPFEDSA-N 415.342 3.408 0 40 HGAB CCOCCCNC(=O)CN(c1ccccc1CC)S(=O)(=O)c1ccc(C)cc1 409114355 GXTBNAFWRPVBEF-UHFFFAOYSA-N 418.559 3.296 0 40 HGAB Cc1ccc(C(=O)N2CCC(F)(F)[C@@]3(CCN(Cc4c(C)noc4C)C3)C2)cn1 2055806561 ILNAGWZENPQQOJ-HXUWFJFHSA-N 404.461 3.368 0 40 HGAB CCCCOC(=O)n1c(=O)oc2cc(S(=O)(=O)Nc3ccc(F)cc3)ccc21 1855734 NZWGOQARYGYIEO-UHFFFAOYSA-N 408.407 3.319 0 40 HGAB CCS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1ccc(Br)cc1 3323919 IOIDKXGTJSPXBL-KRWDZBQOSA-N 423.332 3.164 0 40 HGAB COc1ccc(-c2csc3nc(C)nc(N4CCN(C(C)=O)CC4)c23)cc1OC 3430282 TVZLURHDXQRINF-UHFFFAOYSA-N 412.515 3.352 0 40 HGAB CCCc1nnc(NC(=O)CSc2nnc(-c3cccc(OC)c3)n2C)s1 4736339 MTEDYWKAJGUJMM-UHFFFAOYSA-N 404.521 3.026 0 40 HGAB Cc1ccc(C)c(N(CC(=O)NC2CCCCC2)C(=O)CNC(=O)c2ccco2)c1 4875978 QUMVGCVYIKNCIC-UHFFFAOYSA-N 411.502 3.108 0 40 HGAB CCc1ccc(N2C(=O)C[C@H](c3cc(OC)c(O)c(OC)c3)C3=C2COC3=O)cc1 4944692 VWQIPRBABXLYBV-MRXNPFEDSA-N 409.438 3.303 0 40 HGAB COC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(OC)c(OC(C)C)cc1Br 6263527 IIPNMJDNBGQUMH-OAHLLOKOSA-N 413.268 3.046 0 40 HGAB CN(c1ccccc1)S(=O)(=O)c1nnc(NC(=O)c2cccc(Cl)c2)s1 6818289 RCUVZGTUHQCHFO-UHFFFAOYSA-N 408.892 3.269 0 40 HGAB Cc1ccc(CN(C)C(=O)CN2C(=O)N[C@](C)(c3cc(F)ccc3F)C2=O)c(C)c1 7938661 KUZFPMNKMOFJKW-JOCHJYFZSA-N 415.440 3.007 0 40 HGAB COc1ccc(CNC(=O)c2ccc3c(c2)S(=O)(=O)N=C2CCCCCN23)cc1 7951773 BVDSPRPOOIAJJW-UHFFFAOYSA-N 413.499 3.106 0 40 HGAB COc1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(Cl)cc2)cc1Cl 8220318 TZCGLLAFVRKHGX-JTQLQIEISA-N 403.287 3.308 0 40 HGAB CC(C)(C)n1nnnc1SCC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 8252744 GGQDNHJHVIQWPC-HNNXBMFYSA-N 417.535 3.045 0 40 HGAB Cc1ccc(-c2nnc([C@@H](C)OC(=O)c3cccc(S(=O)(=O)N(C)C)c3)o2)cc1 8291898 FLXHJYYLCBKBEA-CQSZACIVSA-N 415.471 3.213 0 40 HGAB O=C(Cc1cccs1)Nc1nc2ccc(S(=O)(=O)N3CCCC3)cc2s1 8379531 KEXOTUZYBACJND-UHFFFAOYSA-N 407.542 3.324 0 40 HGAB Cn1cnnc1SCC(=O)Nc1ccc(C(=O)N2CCC[C@@H]3CCCC[C@@H]32)cc1 8879495 AGFYWEQNZQVXMV-YJBOKZPZSA-N 413.547 3.341 0 40 HGAB C[C@@H](NC(=O)CN1C(=O)N[C@](C)(c2ccc(F)cc2)C1=O)c1ccc2c(c1)CCCC2 9058094 BFSUAXQRAAFZME-OYLFLEFRSA-N 423.488 3.349 0 40 HGAB CCn1c(SCC(=O)N2CCC(C)CC2)nnc1-c1ccc2c(c1)OCCO2 9096201 HUEOSSKNAPLHAV-UHFFFAOYSA-N 402.520 3.087 0 40 HGAB CCc1ccc(N(CC(=O)NC2CC2)S(=O)(=O)c2cc(C)ccc2OC)cc1 10300520 SMZZVCIKISZBGM-UHFFFAOYSA-N 402.516 3.040 0 40 HGAB CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)OC(=O)c2cccc(Cl)c2)cc1 10648452 LXATZZDAMKCGOK-CYBMUJFWSA-N 424.906 3.211 0 40 HGAB O=C(Nc1ccc(CNS(=O)(=O)c2ccc(Br)cc2)cc1)C1CC1 10669723 RUNNXWKRNMLAMT-UHFFFAOYSA-N 409.305 3.276 0 40 HGAB Cc1[nH]c2ccccc2c1C(=O)N1CCC([C@H]2Nc3ccccc3S(=O)(=O)N2)CC1 12089463 IMCDZCJJKRPRAU-NRFANRHFSA-N 424.526 3.059 0 40 HGAB CCn1c(S[C@@H](C)c2nc(C(C)(C)C)no2)nc2cc(S(N)(=O)=O)ccc21 12544680 UKAXUNJALXIVIP-JTQLQIEISA-N 409.537 3.237 0 40 HGAB CCc1ccc([C@@H](CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(C)=O)N(C)C)cc1 12745557 PILMHKQQMRAWJD-BJKOFHAPSA-N 420.557 3.197 0 40 HGAB CN(C)C(=O)c1ccc(NC(=O)CCCNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 12796401 AIRNGKUIPVVFDL-UHFFFAOYSA-N 411.546 3.440 0 40 HGAB CS(=O)(=O)c1ccc(S(=O)(=O)Oc2ccc3oc4c(c3c2)CCCC4)cc1 12902720 UDGUFFXSCQBSNC-UHFFFAOYSA-N 406.481 3.483 0 40 HGAB COC(=O)C1(NC(=O)Cc2csc(COc3ccc(F)cc3)n2)CCCCC1 12903594 FMWHUBJLCNGNHT-UHFFFAOYSA-N 406.479 3.396 0 40 HGAB O=C([C@H]1CCCO1)N1CCc2ccc(NS(=O)(=O)c3ccc(F)c(Cl)c3)cc21 13696692 PCOISWLSKQFVIA-GOSISDBHSA-N 424.881 3.348 0 40 HGAB Cc1ccc(C)c(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)c1 13856521 BFAMSMXKPFIGKW-OAHLLOKOSA-N 400.862 3.492 0 40 HGAB COc1ccc(NC(=O)Cn2nc3ccc(SC(C)(C)C)nn3c2=O)cc1Cl 16844577 LLVQDHQMNCHKFO-UHFFFAOYSA-N 421.910 3.082 0 40 HGAB COc1ccc(NC(=O)c2nn(-c3ccc(Cl)cc3)s/c2=N\C(C)=O)cc1 16956926 KZVUFCXLAQLQPB-ZZEZOPTASA-N 402.863 3.295 0 40 HGAB CCCS(=O)(=O)N1CCCc2ccc(NC(=O)Cc3ccc(OC)cc3)cc21 17286498 NJGUULZAUWRABL-UHFFFAOYSA-N 402.516 3.369 0 40 HGAB Cc1cc(-c2cnc(N3CCCC3)nc2[C@@H]2CCCN(C(=O)c3ccncc3)C2)on1 19122197 IRZQDPVDLGWNMW-GOSISDBHSA-N 418.501 3.455 0 40 HGAB O=C(CN1C(=O)NC2(CCCCC2)C1=O)N1CCC(CCc2ccccc2F)CC1 19348682 RGGKMRXMVJRSBJ-UHFFFAOYSA-N 415.509 3.252 0 40 HGAB CCN1CCN(C(=O)c2nccn2C)C[C@H](Cc2ccc(-c3cccs3)cc2)C1=O 19527439 DEHFGEHJIFHEFL-IBGZPJMESA-N 422.554 3.312 0 40 HGAB Cc1noc2nc([C@@H]3CCCN(C(=O)CCCn4cncn4)C3)cc(C(F)(F)F)c12 19563860 DBLATAIKAKLUCZ-CYBMUJFWSA-N 422.411 3.328 0 40 HGAB CN(C)c1cc([C@H]2CCCN(C(=O)C[C@H]3CCCCO3)C2)nc(-c2ccncc2)n1 19584548 IAMONUOJZWMPCP-RBUKOAKNSA-N 409.534 3.270 0 40 HGAB Cc1nc(C2CCN(C(=O)[C@@H]3CCCO3)CC2)nc2c1CCCN2Cc1ccccn1 19705716 UEZWDDBGXVWTEY-NRFANRHFSA-N 421.545 3.018 0 40 HGAB CNc1nc([C@@H]2CCCN(C(C)=O)C2)nc2c1CN(C(=O)CC1CCCCC1)CC2 19710331 ZXAIMIRLERFEGM-GOSISDBHSA-N 413.566 3.099 0 40 HGAB CNC(=O)c1ccc([C@H]2CCCN2C(=O)C2(c3ccccc3)CCOCC2)nc1C 19711221 QREDAXPOLULCNY-OAQYLSRUSA-N 407.514 3.162 0 40 HGAB Cc1ccc(C(=O)N2CCCc3cc(S(=O)(=O)NC[C@H]4CCCO4)ccc32)cc1 20765964 MZVLVDUNBRDOOE-LJQANCHMSA-N 414.527 3.045 0 40 HGAB CCc1ccc(Cn2nccc2NC(=O)Cc2csc(N3CCCC3=O)n2)cc1 21599881 DGQGFJBHQFDTPD-UHFFFAOYSA-N 409.515 3.258 0 40 HGAB CN(C)S(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)Nc2cc(F)ccc2F)c1 22396084 GZMCOMHMMJGCPS-UHFFFAOYSA-N 423.485 3.458 0 40 HGAB O=C(COC(=O)c1cc2ccccc2s1)NCC1(N2CCOCC2)CCCCC1 23763261 SVHOCCVBAQRQSE-UHFFFAOYSA-N 416.543 3.209 0 40 HGAB CCOc1ccc(C(=O)NCC(=O)Nc2ccc(-n3ccnc3)cc2)cc1OCC 23889994 GSHUKQWSHTWEMD-UHFFFAOYSA-N 408.458 3.038 0 40 HGAB Cc1cccc(NC(=O)CCCc2cccs2)c1C(=O)N1CCC(C(N)=O)CC1 27291530 JMGFJCAOOOTCLF-UHFFFAOYSA-N 413.543 3.355 0 40 HGAB Cc1cc(C)cc(O[C@H](C)C(=O)N(Cc2ccccc2F)[C@@H]2CCS(=O)(=O)C2)c1 28228677 KLLSZAHJMXQKSL-IEBWSBKVSA-N 419.518 3.426 0 40 HGAB C[C@@]1(c2cc3ccccc3o2)NC(=O)N(CC(=O)Nc2ccnn2C2CCCC2)C1=O 31767258 DZPVCGPOFNEIIG-QFIPXVFZSA-N 421.457 3.150 0 40 HGAB NC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccc(F)cc3)n2C2CC2)cc1 32604117 PKJLLFHYTKNLLF-UHFFFAOYSA-N 411.462 3.249 0 40 HGAB CC(=O)Nc1cc(C)nn1-c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1 32833585 QUYAJTNQXCCLRE-UHFFFAOYSA-N 406.414 3.218 0 40 HGAB CCN1CCN(Cc2ccc(NC(=O)c3ccc(NC(=O)C4CC4)cc3)cc2)CC1 32916035 ZNIRTTCIYSOZIF-UHFFFAOYSA-N 406.530 3.425 0 40 HGAB Cc1ccc(-c2cc(C(=O)NCc3ccccc3)nn2[C@@H]2CCS(=O)(=O)C2)cc1 33325521 VNPOTYQDRBGVMA-LJQANCHMSA-N 409.511 3.148 0 40 HGAB O=C(/C=c1/[nH]c(=O)/c(=C/c2ccc(OCc3ccccc3)cc2)s1)c1ccco1 33466699 DEXXCHWSXAAPGS-JZTLMNBPSA-N 403.459 3.101 0 40 HGAB C[C@H]1CN(C(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccc(Cl)cc2)C[C@H](C)O1 36674140 SZCCXEXIHXCIBJ-TWOQFEAHSA-N 400.906 3.317 0 40 HGAB O=C(c1cccc(OC[C@H]2CCCO2)c1)N1CCC[C@@H](c2nnc3ccccn23)C1 40049207 RSUYQYIUIAZDPN-UYAOXDASSA-N 406.486 3.307 0 40 HGAB Cc1nccn1Cc1ccc(C(=O)NCc2ccc(CN3CCCC3=O)cc2)cc1 44853665 CCIJJEHUTGPYOR-UHFFFAOYSA-N 402.498 3.292 0 40 HGAB COc1ccccc1CN(C)C(=O)c1ccc(CS(=O)(=O)N2CCCCC2)cc1 44886036 GHNHZAXTHSXURG-UHFFFAOYSA-N 416.543 3.283 0 40 HGAB CCOc1ccc(Br)cc1S(=O)(=O)Nc1cccc(F)c1C(=O)O 47202361 ZPUJIVTWNUPTAR-UHFFFAOYSA-N 418.240 3.486 0 40 HGAB CC(C)c1nc(CC(=O)Nc2cccc(Cn3nc4ccccn4c3=O)c2)cs1 48260587 YSAVNXMOMPBELV-UHFFFAOYSA-N 407.499 3.305 0 40 HGAB C[C@H]1C[C@H](C)CN(C(C)(C)CNC(=O)NCc2ccccc2CN2CCOCC2)C1 54726417 CNYNTZYEPJFPBS-PMACEKPBSA-N 416.610 3.075 0 40 HGAB Cc1ccc(-n2c(=O)c3sccc3n(CC(=O)NCc3ccccc3)c2=O)cc1C 57490958 NDXFFTBUFLCIEF-UHFFFAOYSA-N 419.506 3.147 0 40 HGAB O=C(c1ccc2c(c1)SC1=NS(=O)(=O)CCN12)N1CCC[C@@H]2CCCC[C@@H]21 58405236 WZXODRMQZLJPJA-ZFWWWQNUSA-N 405.545 3.093 0 40 HGAB CCOC(=O)C1=C(CN2CCCCCC2)NC(=O)N[C@@H]1c1ccccc1OCC 67286819 HMGYCUSVVGLUCD-HXUWFJFHSA-N 401.507 3.132 0 40 HGAB CCOc1ccccc1NC(=O)c1nnn(CC(=O)Nc2cc(C)ccc2C)c1C 71327318 XAFNXPMDCHDMTG-UHFFFAOYSA-N 407.474 3.493 0 40 HGAB CS(=O)(=O)c1ccc(-c2nnc(C3(c4cccc(F)c4)CCOCC3)o2)cc1 71889925 LABDKNBYPMSXML-UHFFFAOYSA-N 402.447 3.376 0 40 HGAB CC(=O)N1CCC(N2CC[C@@H](c3cc(CCOc4ccccc4Cl)[nH]n3)C2)CC1 72371678 WLELJOHRGWUQHE-QGZVFWFLSA-N 416.953 3.485 0 40 HGAB CCN(Cc1ccc(Cl)s1)C(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12 84777481 ADQKPKHTKWEHIV-XEZPLFJOSA-N 401.985 3.476 0 40 HGAB COc1ccc(NC(=O)Cc2nnc(O)c3cc(-c4ccccc4)nn23)cc1Cl 96397877 VQXFJTHXTQSGFC-UHFFFAOYSA-N 409.833 3.340 0 40 HGAB CCN(C(=O)CN1C(=O)[C@H]2CCCC[C@H]2C1=O)c1nnc(-c2ccc(C)cc2)s1 100116452 IUVXLUDLWXIDAI-IYBDPMFKSA-N 412.515 3.042 0 40 HGAB CCC[C@@]1(C(=O)OC)N[C@@H](c2cccs2)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]21 100420979 GDKMBQIZOMERJG-GRXQJBFDSA-N 416.474 3.049 0 40 HGAB COc1ccccc1[C@H]1[C@H]2C(=O)N(c3ccc(Cl)c(F)c3)C(=O)[C@H]2N2CCCN12 100938922 HJYACQZTNOVVEN-QYZOEREBSA-N 415.852 3.023 0 40 HGAB O=C(CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1 102235696 WSSCDLCUFWYAEO-HUUCEWRRSA-N 421.419 3.195 0 40 HGAB CCc1nnc(S/C(=C\c2cc(Br)c(O)c(OC)c2)C(=O)O)o1 209157315 QUDPQJKJNJTPSB-POHAHGRESA-N 401.238 3.327 0 40 HGAB CC[C@H](C(=O)NCCCN(C)c1ccccc1)N(c1ccc(C)cc1)S(C)(=O)=O 219105655 HMLDRRPBAZULQT-OAQYLSRUSA-N 417.575 3.182 0 40 HGAB CN(C)S(=O)(=O)N(C)c1ccc(C(=O)Nc2ccc(Cc3ccncc3)cc2)cc1 224192824 SQMUHRBGBBZQAH-UHFFFAOYSA-N 424.526 3.167 0 40 HGAB CCOc1cccc(NC(=O)[C@H](CC)Oc2ccc(N(C)S(C)(=O)=O)cc2)c1 224953308 NYIMSDNTGBUMSW-IBGZPJMESA-N 406.504 3.277 0 40 HGAB COc1cccc(-c2noc(CN(C)C(=O)C3(c4ccccc4)CCOCC3)n2)c1 225468137 GMCXMIIIYAAICE-UHFFFAOYSA-N 407.470 3.452 0 40 HGAB CC[C@H](NS(=O)(=O)c1ccc2c(c1)sc(=O)n2C)c1ccc(OC)c(OC)c1 225682478 LCYLOMIZUCYULS-AWEZNQCLSA-N 422.528 3.047 0 40 HGAB O=C(CSCc1ccccc1)N1CCC(N2CC(=O)N(c3ccccc3)C2=O)CC1 225819929 NOKQHIINVCIMAR-UHFFFAOYSA-N 423.538 3.380 0 40 HGAB Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)Nc2ccc3sncc3c2)c(C)c1 226037517 FOBAEVJAZDTJSZ-UHFFFAOYSA-N 403.529 3.481 0 40 HGAB CCOc1ccc(CN2CCO[C@@H](c3cccc(Nc4cnccn4)n3)C2)cc1CO 257262361 LLCGFFKTTFNKPY-OAQYLSRUSA-N 421.501 3.080 0 40 HGAB COc1cccc(-c2cnc3n2C[C@]2(CCN(Cc4cccnc4OC)C2)OC3)c1 306136307 PPPRIIICPPMSEW-HSZRJFAPSA-N 406.486 3.137 0 40 HGAB O=C(Nc1cccc(F)c1)c1nnc2n1C[C@H]1CN(Cc3cccc(F)c3)C[C@@H]1C2 306141266 VQFYQXBJXIYXFF-JKSUJKDBSA-N 409.440 3.113 0 40 HGAB COc1cccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3cccc(C)c3)[C@@H]2c2ccccc2)c1 409058909 ZKIXRYUOJCKGJP-AYHYUOJHSA-O 414.485 3.020 0 40 HGAB O=C1c2ccccc2C(=O)N1[C@H]1CCCC[C@@H](NCc2nnc3n2CCCCC3)C1 533549928 KOGSQAMXAGJWMJ-SJORKVTESA-N 407.518 3.092 0 40 HGAB O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCC[C@H](Oc2ccncc2)C1 575613090 OQNVMQFZTYELNS-HNNXBMFYSA-N 402.394 3.212 0 40 HGAB O=C1NC(=O)c2cc(C(=O)N3CCCC[C@H]3c3ncc(-c4cccc(F)c4)[nH]3)ccc21 581642030 LXXYKHRWIIRFFE-IBGZPJMESA-N 418.428 3.467 0 40 HGAB Cc1cnc(Nc2cc(C[C@@H]3CCCN(C(=O)/C=C/c4cnc[nH]4)C3)ncn2)s1 585291540 RLQNGILOXZAQCT-RGDDUWESSA-N 409.519 3.203 0 40 HGAB Cn1nc2c(c1C(=O)N1CCOc3c(Br)cccc3C1)CSCC2 1156568396 OWAWNALJMPOLPD-UHFFFAOYSA-N 408.321 3.007 0 40 HGAB CC1=C(C(=O)Nc2cccnc2)[C@@H](c2cccnc2)n2nc(C(F)(F)F)nc2N1 1467376 IYSFPVQKQPFZJI-CQSZACIVSA-N 401.352 3.015 0 40 HGAB Cc1cc(Br)ccc1NC(=O)CSc1nnc(-c2cnccn2)n1C 2393970 WNPZHGZONLNDPN-UHFFFAOYSA-N 419.308 3.074 0 40 HGAB CCOC(=O)[C@H](Sc1nc(N)c2c3c(sc2n1)CO[C@](C)(CC)C3)C(C)=O 2405095 GNJHQNOXQGXBGD-FZKQIMNGSA-N 409.533 3.128 0 40 HGAB CCN(CC)S(=O)(=O)c1cccc(C(=O)OCc2nnc(-c3ccccc3)o2)c1 2618429 WINKWEXHMJTNPI-UHFFFAOYSA-N 415.471 3.124 0 40 HGAB CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)[C@H](C)Sc1nnnn1C 2657709 NHAQWHLBDWTFLP-NSHDSACASA-N 417.516 3.235 0 40 HGAB O=C(CSc1nnc(C2CC2)n1-c1ccccc1)Nc1ccc2[nH]c(=O)[nH]c2c1 2662567 AVXYNCREEIJKIM-UHFFFAOYSA-N 406.471 3.045 0 40 HGAB O=C(c1cccc(S(=O)(=O)N2CCCC2)c1)c1nnc(-c2ccccc2Cl)o1 3231582 JOCFVBZTJSPOGL-UHFFFAOYSA-N 417.874 3.406 0 40 HGAB CCCS(=O)(=O)N1C[C@@H]2C[C@H](C1)c1c(-c3ccc(Cl)cc3)ccc(=O)n1C2 4237400 OLDDKULDTCLVSE-GOEBONIOSA-N 406.935 3.328 0 40 HGAB biogenic,in-vitro CCCCn1c(=O)c2c(nc3n2C[C@@H](C)CN3c2ccc(Cl)cc2)n(C)c1=O 4249274 XAXJKYVUHIXDPD-ZDUSSCGKSA-N 401.898 3.138 0 40 HGAB Cc1ccc(C)c(NC(=O)Cn2cnc3c(cnn3-c3cccc(C)c3C)c2=O)c1 4479188 OBCADFBAELSOSP-UHFFFAOYSA-N 401.470 3.455 0 40 HGAB COc1cc([C@@H]2SC[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)N23)cc(OC)c1OC 4520143 GOUCEYWELNWZIR-LIRRHRJNSA-N 418.446 3.434 0 40 HGAB CCc1ccc(CN(C(=O)COc2c(C)cccc2C)[C@@H]2CCS(=O)(=O)C2)cc1 5119639 RTFSMRHZBJEKPY-OAQYLSRUSA-N 415.555 3.461 0 40 HGAB C[C@H](OC(=O)c1n[nH]c(=O)c2ccccc12)C(=O)Nc1ccc(C(F)(F)F)cc1 5183863 ZRPLBXYODFSKLA-JTQLQIEISA-N 405.332 3.126 0 40 HGAB O=C(COC(=O)c1ccccc1OCc1ccccc1Cl)NC[C@H]1CCCO1 5506322 WJYYPFLLHIHTKM-MRXNPFEDSA-N 403.862 3.371 0 40 HGAB CCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)NC23CC4CC(CC(C4)C2)C3)C1=O 5559469 HMKINSUIHATALE-GURNRWOFSA-N 409.530 3.319 0 40 HGAB COC(=O)C1=C(C)NC(=O)N[C@H]1c1cc2c(C)nn(-c3ccccc3)c2nc1Cl 5600500 BWJBJCNWNOBSNH-INIZCTEOSA-N 411.849 3.183 0 40 HGAB COc1ccc(Cl)cc1NC(=O)CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O 6552360 RDKVWNJQTXERQL-NRFANRHFSA-N 413.861 3.071 0 40 HGAB Cc1ccc(CN(C(=O)COc2ccc(Cl)cc2C)[C@@H]2CCS(=O)(=O)C2)o1 6810360 XTVHLOMZUPOHHV-MRXNPFEDSA-N 411.907 3.145 0 40 HGAB O=C(CCCNC(=O)c1ccc(Cl)cc1)Nc1ccccc1N1CCOCC1 6831926 QAMDOCGDMGLPRR-UHFFFAOYSA-N 401.894 3.325 0 40 HGAB O=C(COc1cc(Cl)cc(Cl)c1)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 7504513 OEZGNSHXVJUHCW-OAHLLOKOSA-N 406.331 3.331 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)c1c(C)noc1C 7723840 LMTNYZOORTVCAG-UHFFFAOYSA-N 407.492 3.117 0 40 HGAB COc1ccc([C@@H]2CCCN2CC(=O)Nc2ccccc2C(=O)NC2CC2)c(OC)c1 7741146 JJAWLVBWONZYPQ-NRFANRHFSA-N 423.513 3.372 0 40 HGAB CCOC(=O)c1sc(NC(=O)[C@@H](NC(=O)c2ccc(F)cc2)C(C)C)nc1C 7813971 BHLDRHJAUCVNIO-AWEZNQCLSA-N 407.467 3.160 0 40 HGAB Cc1ccc(C)c(OCCC(=O)OCC(=O)Nc2ccc(N3CCOCC3)cc2)c1 7974099 MARNUANZUOYCJE-UHFFFAOYSA-N 412.486 3.091 0 40 HGAB COc1cccc(N2C[C@H](C(=O)Nc3nnc(Cc4ccccc4)s3)CC2=O)c1 8261375 AHBMFKYFDCEAEU-OAHLLOKOSA-N 408.483 3.129 0 40 HGAB Cc1ccccc1NC(=O)COC(=O)[C@H](CC(C)C)N1C(=O)c2ccccc2C1=O 8283642 XMRMKEFIYXMWRD-IBGZPJMESA-N 408.454 3.188 0 40 HGAB COc1ccc(OC)c(NC(=O)c2ccccc2N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 8434146 GQBIEIPFIXCPAB-HZPDHXFCSA-N 406.438 3.412 0 40 HGAB O=C(NC[C@@H]1COc2ccccc2O1)c1cccc(NS(=O)(=O)c2ccccc2)c1 8725723 LMFITHQLIFENFZ-GOSISDBHSA-N 424.478 3.057 0 40 HGAB O=C(COC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)Nc1ccc(F)c(Cl)c1 8760624 KABLKZASTLKKHL-AWEZNQCLSA-N 404.825 3.010 0 40 HGAB Cc1ccc(S(=O)(=O)c2cn(CC(=O)NC[C@@H]3CCCO3)c3ccccc23)cc1 8865372 ZGFARIGKOGWJQV-KRWDZBQOSA-N 412.511 3.078 0 40 HGAB O=C(NCCc1c[nH]c2ccccc12)C(=O)Nc1ccccc1C(=O)N1CCCCC1 9134975 DARJUDITBPZSRC-UHFFFAOYSA-N 418.497 3.091 0 40 HGAB CCOc1ccc(N(C(=O)COc2ccc(Cl)cc2)[C@H]2C=CS(=O)(=O)C2)cc1 9415828 OEWNFEOZNKXVGV-KRWDZBQOSA-N 421.902 3.461 0 40 HGAB Cc1cc(N2CCN([C@@H](C(=O)N3CCCC3)c3ccccc3)CC2)nc(C(C)C)n1 9863083 OYOINVXCBUFCMJ-JOCHJYFZSA-N 407.562 3.394 0 40 HGAB COc1ccc(N([C@H](C)C(=O)N2CCc3ccccc32)S(C)(=O)=O)cc1Cl 10449389 HKWXASBFGDMYPW-CYBMUJFWSA-N 408.907 3.092 0 40 HGAB Cc1csc(NC(=O)c2cc(S(=O)(=O)NC3CC3)c(Cl)cc2Cl)n1 10555898 ONFNOVHTGHXICD-UHFFFAOYSA-N 406.316 3.451 0 40 HGAB CCc1nc2c(nnn2Cc2ccc(F)cc2)c2nnc(-c3ccc(OC)cc3)n12 12114331 QADAPISKUHIMCC-UHFFFAOYSA-N 403.421 3.294 0 40 HGAB CCOc1ccc([C@H](O)CN2CCC3(CC2)C[C@H](O)c2ccc(OC)cc2O3)cc1 12329557 KZNDCZVLIGJBAR-FCHUYYIVSA-N 413.514 3.478 0 40 HGAB COc1ccc(-c2nnc(SCC(=O)Nc3cccc(Cl)c3)n2N)cc1OC 12348772 ZJIUWDATHXWDBL-UHFFFAOYSA-N 419.894 3.060 0 40 HGAB CCC1CCC2(CC1)NC(=O)N(CN(C)Cc1cnn(Cc3ccccc3)c1)C2=O 12936759 DREIWCZCUOHLBA-UHFFFAOYSA-N 409.534 3.212 0 40 HGAB O=C(c1nccnc1-c1nc2ccccc2s1)N1CCN(c2ccccn2)CC1 12975389 UGOPQGABYWXHBO-UHFFFAOYSA-N 402.483 3.111 0 40 HGAB Cc1cc(-c2cc(C(=O)N3CCN(C(=O)C4CC4)CC3)c3c(C)noc3n2)c(C)o1 12976765 TUDDHKHNWIRPEL-UHFFFAOYSA-N 408.458 3.102 0 40 HGAB CCn1cc(S(=O)(=O)N2CCN(Cc3ccc(Cl)cc3Cl)CC2)c(C)n1 14239664 MTKXYCLRFGVLFC-UHFFFAOYSA-N 417.362 3.025 0 40 HGAB COC(=O)c1ccc(N2CCOCC2)c(NC(=O)c2cccc(Br)c2)c1 16194115 VNBRJSSFCJBIGB-UHFFFAOYSA-N 419.275 3.325 0 40 HGAB O=C1COc2cc(C(=O)NCCCCCc3nc(-c4cccs4)no3)ccc2N1 16786739 AXQDMRDOXNIDMM-UHFFFAOYSA-N 412.471 3.272 0 40 HGAB COc1ccc(C(=O)O)cc1NC(=S)NC(=O)c1cccc(Br)c1 17088159 MWLYZBHLTQLZOB-UHFFFAOYSA-N 409.261 3.283 0 40 HGAB COc1ccc(-c2cc3ncc4c(n3n2)C[C@@H]2CC[C@H]4N2Cc2ccnn2C)cc1 19289222 JGEWEMWLNVZCQA-HRAATJIYSA-N 400.486 3.400 0 40 HGAB C[C@@H](CC(=O)NCCn1c(C(F)(F)F)cc(=O)c2cccc(F)c21)n1cccn1 19455478 MSFIZJGRVPQNAE-LBPRGKRZSA-N 410.371 3.123 0 40 HGAB CCCC(=O)N1c2ccc([C@H](O)CN3CCN(c4nccs4)CC3)cc2C[C@@H]1C 19501702 ZMCNCINJVSEMRK-OXJNMPFZSA-N 414.575 3.076 0 40 HGAB CS(=O)(=O)c1cccnc1[C@H]1CCCN(Cc2c[nH]nc2-c2cccs2)C1 19573526 DIJQZPUDIRWCQI-AWEZNQCLSA-N 402.545 3.316 0 40 HGAB COc1ccc(OC)c(Cc2ccc([C@H]3CN(Cc4cn(C)nc4C)CCO3)nc2)c1 19692631 LWYMDTXYQHBTDP-XMMPIXPASA-N 422.529 3.305 0 40 HGAB COc1ccc(CC(=O)N2CCC(c3cc(-c4cnc(N)nc4)cc(C)n3)CC2)cc1 19694885 GUCYGVVFJGMTSZ-UHFFFAOYSA-N 417.513 3.387 0 40 HGAB COc1ccc(CCC(=O)NCc2ccc(-c3ccc(C(N)=O)c(C)n3)cc2)cc1 19700751 GVNSYZHATSRDSQ-UHFFFAOYSA-N 403.482 3.414 0 40 HGAB COc1ccc(-c2[nH]ncc2CNC(=O)c2cccc(N3CCOCC3)c2C)cc1 19716177 OWMZIUATFBPHAE-UHFFFAOYSA-N 406.486 3.160 0 40 HGAB Cc1nc(N)c2ccc([C@@H]3CCCN(CC(=O)N4CCCc5ccccc54)C3)nc2n1 19743312 JUGHZDNJINGKTA-GOSISDBHSA-N 416.529 3.074 0 40 HGAB Cc1nc([C@@H]2CCCN(C(=O)c3ccncc3)C2)ncc1C(=O)Nc1ccccc1 19766405 MMBSROJCIBQFCW-GOSISDBHSA-N 401.470 3.452 0 40 HGAB CC[C@H](NC(=O)c1ccc(CS(=O)(=O)N2CCOCC2)cc1)c1ccc(C)cc1 20112594 PUCAHBHWBHDARC-NRFANRHFSA-N 416.543 3.038 0 40 HGAB Cc1ccccc1CNC(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O 20237231 KAICVXYZZWZOMP-UHFFFAOYSA-N 401.315 3.384 0 40 HGAB COc1ccc([C@H](CNC(=O)CCc2nc(-c3ccsc3)no2)N(C)C)cc1 21635678 LBOCPYXRPQHJNK-KRWDZBQOSA-N 400.504 3.158 0 40 HGAB COc1ccc2c(Cn3nnc(-c4ccc(Br)cc4)n3)cc(=O)oc2c1 23074324 DWMYYIPPXUKEGE-UHFFFAOYSA-N 413.231 3.266 0 40 HGAB O=C(CCN1CCC(C(=O)NCc2ccccc2)CC1)Nc1ccnn1C1CCCC1 24927631 NJIANFUYBVKKFC-UHFFFAOYSA-N 423.561 3.355 0 40 HGAB C[C@H]1CN(C(C)(C)CNC(=O)NCc2ccc(OC(F)(F)F)cc2)C[C@H](C)O1 24970832 KBUWGHGYYRLVIY-KBPBESRZSA-N 403.445 3.272 0 40 HGAB CCCOc1ccccc1/C=c1\sc2nc([C@H]3COc4ccccc4O3)nn2c1=O 26896337 VPOWIBXPRYRKLZ-GEBKJHSDSA-N 421.478 3.000 0 40 HGAB Cc1ccc(-c2cc(C(=O)N[C@H]3CCS(=O)(=O)C3)c3cccc(C)c3n2)s1 27977134 BIRCZOBLCYGEEB-AWEZNQCLSA-N 400.525 3.497 0 40 HGAB COc1cc(CCC(=O)N2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc(OC)c1 32753837 PLXHASFNXCZRHK-UHFFFAOYSA-N 416.905 3.274 0 40 HGAB O=C(CCc1ccc2c(c1)OCO2)N1CCN(C(=O)c2cccc3ccccc23)CC1 32764951 WZSZUYYJKNPVCT-UHFFFAOYSA-N 416.477 3.486 0 40 HGAB COc1ccc([C@@H](CN(C)C(=O)Cc2cc(C)ccc2OC)N2CCOCC2)cc1 36741367 GHZZEBURUKESME-JOCHJYFZSA-N 412.530 3.087 0 40 HGAB Cc1ccc(CC(=O)Nc2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)cn1 40150787 FSIUSSOYTUDMIJ-UHFFFAOYSA-N 409.511 3.392 0 40 HGAB C[C@@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O 43352180 BHQCQFFYRZLCQQ-SQQVJSAMSA-N 408.579 3.449 0 40 HGAB biogenic,in-vitro CCSc1nnc(NC(=O)C2CN(c3nc4ccc(OC)cc4s3)C2)s1 62023127 MPUSUQYIGGHUPL-UHFFFAOYSA-N 407.546 3.343 0 40 HGAB O=C(C1CC1)N1CCCCC[C@H]1C1CCN(CCS(=O)(=O)c2ccccc2)CC1 69778811 RGDNBNFLJKAPIL-QFIPXVFZSA-N 418.603 3.354 0 40 HGAB Nn1c(SCc2ccc(N3CCCC3=O)cc2)nc2cc(Cl)ccc2c1=O 71768831 FBWMKZIMEOUZQY-UHFFFAOYSA-N 400.891 3.183 0 40 HGAB Cc1cc(C)n(C[C@@H](C)C(=O)Nc2ccc([C@@H]3NC(=O)c4cccnc4N3C)cc2)n1 72347414 UDQSTYWCRPBKAB-JLTOFOAXSA-N 418.501 3.048 0 40 HGAB C[C@@H](NC(=O)CC1(NC(=O)OC(C)(C)C)CCC1)c1ccc2c(c1)NC(=O)CO2 78974207 HXZLXYQJSCIHPH-CYBMUJFWSA-N 403.479 3.032 0 40 HGAB COc1ccc(-c2cnc3n2CCNC32CCN(C(=O)c3ccccc3)CC2)cc1 96263378 KMWRBQTVPTWLNB-UHFFFAOYSA-N 402.498 3.293 0 40 HGAB O=C1C[C@@H](N2CCN(Cc3ccccc3)CC2)C(=O)N1c1ccccc1C(F)(F)F 100116618 VJUZXZKEHGSFGT-LJQANCHMSA-N 417.431 3.155 0 40 HGAB COc1cc(NC(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C(=O)O)c(OC)cc1Br 102093503 HNOWGZJYQOAROQ-NHMRIHQESA-N 422.275 3.174 0 40 HGAB COC(=O)CSc1nc2n(n1)[C@@H](c1cc(F)cc(F)c1)C1=C(O)CCCC1=N2 102657492 UQEXDLRVVFKRAA-INIZCTEOSA-N 406.414 3.493 0 40 HGAB C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)N[C@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)c2)C[C@@H](C)O1 108914323 ZUYSEEWWDITFOL-UEEXXHTQSA-N 420.575 3.039 0 40 HGAB CCOc1cccc(CNC(=O)CCCN(c2ccc(C)cc2)S(C)(=O)=O)c1 113956367 LWJCDRYCMMMZHP-UHFFFAOYSA-N 404.532 3.256 0 40 HGAB COCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1Cc1ccccn1 223068614 IXNUTOLGSLCZKK-SFTDATJTSA-N 407.543 3.335 0 40 HGAB CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N[C@@H](C)c1ccc(C)cc1 224436667 AVQMDRPRMSFXJW-OXJNMPFZSA-N 404.532 3.426 0 40 HGAB CCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)COc1ccccc1F 224591535 SUEQLUPYHZFEDV-IBGZPJMESA-N 402.466 3.157 0 40 HGAB CCOC(=O)CN(c1ccc(Br)cc1F)S(=O)(=O)c1ccccc1 224674839 MTPNBNYXKMYRAW-UHFFFAOYSA-N 416.268 3.347 0 40 HGAB C[C@H](C(=O)Nc1ccc(N2CCCC2)cc1)N(c1cccc(F)c1)S(C)(=O)=O 224930757 QHFNLCQILICLQF-OAHLLOKOSA-N 405.495 3.219 0 40 HGAB O=C(Nc1ccc(CC(=O)N2CCCC2)cc1)c1cn2c3c(cccc3c1=O)CCC2 225860164 UBJMIXAIYDMFDU-UHFFFAOYSA-N 415.493 3.365 0 40 HGAB COc1ccccc1-c1nc2sc(=Cc3cccc(Br)c3)c(=O)n2n1 254516050 RBGCHFPCFUZISO-UHFFFAOYSA-N 414.284 3.137 0 40 HGAB CCn1c(C)nc2cc(C(=O)NS(=O)(=O)c3ccc(Br)cc3)ccc21 257259830 LAGFRORQYWGDBK-UHFFFAOYSA-N 422.304 3.246 0 40 HGAB Cc1ccc(OC[C@H](O)CN(C)Cc2ccc(OCc3nccn3C)cc2)c(C)c1 257315016 UZNKRNMOOGIIAT-OAQYLSRUSA-N 409.530 3.488 0 40 HGAB COC1CCN(c2ccc(C(=O)N3CC(N4CCc5sccc5C4)C3)cc2)CC1 390828054 OATPTEPEPCZPSL-UHFFFAOYSA-N 411.571 3.246 0 40 HGAB CCCOc1ccc(N2C[C@@H](C(=O)Nc3ccccc3C(=O)NC3CC3)CC2=O)cc1 408616678 ZUWGIZSBZVMFGI-INIZCTEOSA-N 421.497 3.359 0 40 HGAB COc1ccc(CNC(=O)CCCN2c3cccc4cccc(c34)S2(=O)=O)cc1 408704574 PTWFVTGYVKVSBR-UHFFFAOYSA-N 410.495 3.454 0 40 HGAB CN(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)NCc2ccccc2)cc1 409193423 KLUVEUKKOOZBKO-UHFFFAOYSA-N 424.522 3.203 0 40 HGAB CN1C(=O)c2ccc(-c3ccc(F)cc3F)cc2O[C@H]2CN(C3CCOCC3)C[C@H]21 514288906 DAZVYIXJUVUAMF-IRLDBZIGSA-N 414.452 3.328 0 40 HGAB biogenic,in-vitro COCCN1c2cccnc2-n2cccc2[C@]12CCN(C(=O)c1cccc(OC)c1)C2 585106890 KLVWDPBFWPZVOJ-XMMPIXPASA-N 418.497 3.089 0 40 HGAB O=C(CCOc1ccc(F)cc1)N1CCc2ncc(-c3cnn(CC4CC4)c3)n2CC1 585111316 OFZXIEUQUSZBPC-UHFFFAOYSA-N 423.492 3.150 0 40 HGAB O=C1NCC2(CCN(C[C@H](O)c3ccccc3C(F)(F)F)CC2)Oc2ccccc21 1197728158 IUBODYXGNNGXMI-SFHVURJKSA-N 420.431 3.396 0 40 HGAB O=C([C@@H]1CCCCO1)N1CCC(c2ccc3cc(-c4cncnc4)cnc3n2)CC1 1891233046 OHFYFVKMLIZNOO-NRFANRHFSA-N 403.486 3.362 0 40 HGAB Cc1cccc(C)c1NC(=O)[C@@H](C)N1CCC(NS(=O)(=O)c2cccs2)CC1 11720063 PWOJIMISVLUGQM-MRXNPFEDSA-N 421.588 3.135 0 40 HGAB CCN(CC)CCN(Cc1cc2cc(OC)ccc2[nH]c1=O)C(=S)NCC(C)C 4133823 QRFGYOSBDFKTJU-UHFFFAOYSA-N 418.607 3.211 0 40 HGAB COc1cc(CNC(=O)c2ccc(Cl)cc2Cl)ccc1OCC(=O)N(C)C 32930496 QDEDGHAXHXTZMU-UHFFFAOYSA-N 411.285 3.399 0 40 HGAB CCC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)Nc2ccc(OC)cc2)cc1 6213713 YXGBLXKXMZXRMN-HNNXBMFYSA-N 406.504 3.180 0 40 HGAB Cc1ccc(S(=O)(=O)CCC(=O)OCC(=O)Nc2c(C)cccc2C)cc1C 7940033 RCVQQKKLTHUUKV-UHFFFAOYSA-N 403.500 3.266 0 40 HGAB C[C@@H](CNC(=O)CSc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)c1ccccc1 9253400 BOVZYFPILWEIIO-HNNXBMFYSA-N 419.510 3.121 0 40 HGAB COc1ccc(N(CC(=O)N2CCCCC2)S(=O)(=O)c2ccc(F)cc2)cc1 812334 YSOLEAZZFYZMOG-UHFFFAOYSA-N 406.479 3.042 0 40 HGAB COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2)c2ccccc2)cc1 972123 UIIROTBQGTZCFG-UHFFFAOYSA-N 410.495 3.207 0 40 HGAB COc1ccc(OC)c(S(=O)(=O)NCc2ccc(OCC(F)(F)F)cc2)c1 23440900 FGXMKHQTZAZWNJ-UHFFFAOYSA-N 405.394 3.123 0 40 HGAB CCC1(CC)NC(=O)N(CC(=O)N2CCC(c3nc4ccccc4s3)CC2)C1=O 23805527 LHMGEQLUMRQGFN-UHFFFAOYSA-N 414.531 3.113 0 40 HGAB CCn1nnc2cc(C(=O)N3CCN(Cc4c(F)cccc4Cl)CC3)ccc21 23866021 RMHVITNGUVENRP-UHFFFAOYSA-N 401.873 3.202 0 40 HGAB O=C(CSc1nnc(-c2cnccn2)n1Cc1ccco1)Nc1ccccc1F 1105451 VDFRCYCWXLCCKA-UHFFFAOYSA-N 410.434 3.246 0 40 HGAB Cc1ccc([C@H](CNc2cnn(-c3ccccc3)c(=O)c2Cl)N2CCOCC2)o1 24529013 ZSTIFJMFZHCOIC-SFHVURJKSA-N 414.893 3.273 0 40 HGAB CCOC(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 1507480 ADGXYWSQJBOAEZ-UHFFFAOYSA-N 416.499 3.290 0 40 HGAB COc1ccc(-c2cc(C(=O)Nc3cc(OC)c(OC)c(OC)c3)n[nH]2)c(OC)c1 57412876 TXNRPCBGBOHFRG-UHFFFAOYSA-N 413.430 3.372 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(CCC(=O)N[C@@H]2CCOc3ccccc32)cc1 26782519 HOSWOZPNUDLEOA-HXUWFJFHSA-N 416.543 3.290 0 40 HGAB COc1cccc(-c2nnc3sc(NC(=O)c4ccc(OC)c(OC)c4)nn23)c1 20902146 DOIJCCRMVFKONX-UHFFFAOYSA-N 411.443 3.131 0 40 HGAB COC(=O)c1cc(NC(=O)c2ccc(CN3CCCCC3)cc2)cc(C(=O)OC)c1 10330170 ZJOZLWRJSZBZCJ-UHFFFAOYSA-N 410.470 3.498 0 40 HGAB O=C(Nc1ccc(N2CCCC2)cc1)C1CCN(S(=O)(=O)c2cccs2)CC1 10429756 UAPSLHUICGYJMI-UHFFFAOYSA-N 419.572 3.388 0 40 HGAB COc1ccc(N(CC(=O)N2c3ccccc3C[C@H]2C)S(C)(=O)=O)cc1Cl 10449788 TZMKECLCXHSYQR-CYBMUJFWSA-N 408.907 3.092 0 40 HGAB O=C(COC(=O)Cc1noc2ccccc12)Nc1ccnn1Cc1ccccc1Cl 11182614 AZAWTBXKWBUQOQ-UHFFFAOYSA-N 424.844 3.450 0 40 HGAB O=C(Cn1nnc(-c2cccs2)n1)N1N=C(c2cccs2)C[C@@H]1c1ccco1 12791216 AXXSPKMWDFPSSO-CYBMUJFWSA-N 410.484 3.434 0 40 HGAB c1cc(-c2ccc3c([C@@H]4CN(Cc5ccc6c(c5)OCO6)CCO4)nnn3c2)ccn1 306140992 VIJJPBNWFYVOKY-QFIPXVFZSA-N 415.453 3.094 0 40 HGAB COc1ccc(OC)c([C@H](C)NC(=O)Cn2c(S)nnc2-c2cccs2)c1 12928911 UUZMHRMFLUEWSV-NSHDSACASA-N 404.517 3.190 0 40 HGAB COC(=O)C1CCN(C(=O)Cc2c(C)c3cc4c(C)c(C)oc4cc3oc2=O)CC1 13681980 AXDCRIGBJWXWAE-UHFFFAOYSA-N 411.454 3.419 0 40 HGAB CCc1ccccc1NC(=O)Cn1nc2cc(-c3ccc(OC)cc3)nc(C)n2c1=O 65196641 OOHIUNNWYPYBGZ-UHFFFAOYSA-N 417.469 3.076 0 40 HGAB COC(=O)c1c(C)[nH]c(C(=O)NC[C@@H](c2ccc(OC)cc2)N2CCCCC2)c1C 14079256 FVKPEXNKWLDDPR-IBGZPJMESA-N 413.518 3.384 0 40 HGAB O=C(COCc1ccccc1Cl)N1CCN(c2ccc(Br)cn2)CC1 65514088 DUMWZXAZNGTWNC-UHFFFAOYSA-N 424.726 3.363 0 40 HGAB NC(=O)N[C@@H](CC(=O)OCc1cc(Cl)c2c(c1)OCCCO2)c1cccs1 14413795 VXRNXRCCLFQFFQ-ZDUSSCGKSA-N 410.879 3.406 0 40 HGAB O=C1c2oc3ccc(Br)cc3c(=O)c2[C@H](c2ccccc2)N1CCO 5557341 ZNZRUHJGSVPQNM-INIZCTEOSA-N 400.228 3.093 0 40 HGAB O=C(CN1C(=O)N[C@@]2(CCCc3sccc32)C1=O)N[C@@H]1CCCc2ccccc21 5679277 YJQQRXSWPKBFGF-VGOFRKELSA-N 409.511 3.025 0 40 HGAB CCOc1cc([C@@H]2c3c(oc4cc(C)cc(C)c4c3=O)C(=O)N2CCCO)ccc1O 6743342 VYGWVLJZCJPEQG-OAQYLSRUSA-N 423.465 3.442 0 40 HGAB CC(=O)c1ccc(-c2ccc(C(=O)NCc3ccc(N4CCOCC4)nc3)o2)cc1 14801199 OEXIZHUPEWUSFI-UHFFFAOYSA-N 405.454 3.311 0 40 HGAB CC[C@@]1(c2ccc(OC)cc2)NC(=O)N(CC(=O)Nc2ccc(Cl)cc2)C1=O 5797777 AJIFXOPLOWNLFU-FQEVSTJZSA-N 401.850 3.144 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)Cc2ccccc2)c1 5894953 USANBPOQLBUBBC-UHFFFAOYSA-N 415.559 3.499 0 40 HGAB COC(=O)CCn1c(C)cc(C(=O)COC(=O)COc2ccc(Cl)c(C)c2)c1C 5994399 KUGNSGDMCQBKBU-UHFFFAOYSA-N 421.877 3.435 0 40 HGAB CCN(CC)Cc1nnc2sc(-c3cccc(I)c3)nn12 71260541 BRHQKZOJIAFVHZ-UHFFFAOYSA-N 413.288 3.299 0 40 HGAB Cc1cccc(Cl)c1NC(=O)Cn1cnc2nc(N3CCCCC3)sc2c1=O 67317061 NPUZHICIWONGKO-UHFFFAOYSA-N 417.922 3.444 0 40 HGAB COC[C@H](C)NC(=O)c1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1 15791153 CSXCZMJCCUUTAV-LBPRGKRZSA-N 416.421 3.271 0 40 HGAB C[C@@H](OC(=O)c1ccccc1NCCO)C(=O)Nc1nc(-c2ccccc2)cs1 9162662 PJIHTJRCMUTQOL-CQSZACIVSA-N 411.483 3.398 0 40 HGAB CCOc1ccc(NC(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2Cl)cc1 15858275 AJONRPCUQPSOHE-UHFFFAOYSA-N 408.863 3.058 0 40 HGAB C[C@]1(c2cccc(-n3cnnn3)c2)NC(=O)N(Cc2ccc(-c3ccccc3)cc2)C1=O 9494716 PUXVYCBYHPDGGQ-XMMPIXPASA-N 424.464 3.297 0 40 HGAB O=C(CNc1ccccc1N1CCCCC1)N1CCN(C(=O)c2cccs2)CC1 9548856 HZXZQBPTQBDOAA-UHFFFAOYSA-N 412.559 3.135 0 40 HGAB COC(=O)[C@H](C)CN(Cc1ccccc1)c1cc(C)nc2nc(C(F)(F)F)nn12 79109137 XVIWKXONKGYCCE-GFCCVEGCSA-N 407.396 3.267 0 40 HGAB O=C1NC(=O)C2(CCN(Cc3sc(Sc4ccccc4)nc3Cl)CC2)N1 95468607 PFEZEFQBHUCNFF-UHFFFAOYSA-N 408.936 3.122 0 40 HGAB CCc1nn2c(C)c(C(=O)N3CCN(CC)CC3)nnc2c1-c1ccc(Cl)cc1 20672708 DVAGNHJFXDTKOA-UHFFFAOYSA-N 412.925 3.093 0 40 HGAB CCOc1ccc2nc(NC3=NCN(Cc4ccc(OC)cc4)CN3)nc(C)c2c1 20634273 JMCUSOFBIXVAQP-UHFFFAOYSA-N 406.490 3.134 0 40 HGAB CC(=O)Nc1nnc(SCc2cc(=O)n3nc(C4CCCCC4)sc3n2)s1 20984412 FHAQWUSUZDXOSN-UHFFFAOYSA-N 422.561 3.301 0 40 HGAB Cc1cccc(N(CC(=O)NCc2ccc(OC(C)C)cc2)S(C)(=O)=O)c1C 20110846 CSGVVLXXTVDLKM-UHFFFAOYSA-N 404.532 3.173 0 40 HGAB O=C(CN1C(=O)N/C(=C/c2cccn2-c2ccccc2F)C1=O)Nc1ccccc1F 409217161 SSUVIQJFVCXNSF-LDADJPATSA-N 422.391 3.287 0 40 HGAB COCCN1C(=O)S/C(=C/c2cc(Br)c(Br)o2)C1=O 409133475 MPWWCJCLPIPJBZ-VMPITWQZSA-N 411.071 3.487 0 40 HGAB COc1ccc(C)cc1S(=O)(=O)N1CCC(C(=O)N[C@H](C)c2ccccc2)CC1 409370758 UAJNROUPSAHGNP-QGZVFWFLSA-N 416.543 3.282 0 40 HGAB CSCC[C@H](NC(=O)C1CCC(C)CC1)C(=O)NCCCN1CCCC[C@H]1C 1505840637 JLOSPIYCCFPMEJ-NBDWZHNGSA-N 411.656 3.431 0 40 HGAB C[C@H](NC(=O)N[C@H]1COc2c(F)cc(F)cc2C1)c1ccc2c(c1)CCC(=O)N2 1521205493 GDUOQYZETKUIEG-MEDUHNTESA-N 401.413 3.213 0 40 HGAB Cc1ccccc1CS(=O)(=O)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1 38755372 VOCXHLKJPRZUAD-UHFFFAOYSA-N 417.512 3.133 0 40 HGAB CCc1nnc(NC(=O)[C@@H](CC)Sc2nnc(-c3cccnc3)n2CC)s1 48513934 HXNQPKBZIYZGFY-GFCCVEGCSA-N 403.537 3.283 0 40 HGAB CC(C)(Cc1ccccc1)NC(=O)[C@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1 223864090 PGWCEDYJEGDWPY-GOSISDBHSA-N 422.934 3.005 0 40 HGAB COC(=O)c1ccc(N2CCOCC2)c(NC(=O)COc2ccc(Cl)cc2C)c1 40718122 SMYHQAQADVAOEV-UHFFFAOYSA-N 418.877 3.289 0 40 HGAB COc1cc(CNC2(CO)Cc3ccccc3C2)ccc1OCc1c(C)noc1C 568157007 UINSIAVNIPOOCF-UHFFFAOYSA-N 408.498 3.499 0 40 HGAB COc1ccc(-c2csc(NC(=O)Cc3nc4nc(C)cc(C)n4n3)n2)cc1F 40131165 JWPDMYRQFGWEIL-UHFFFAOYSA-N 412.450 3.194 0 40 HGAB O=C(CCC(=O)c1ccccc1)NC[C@@H](c1ccccc1Cl)N1CCOCC1 40080622 AKIVZEOKKROSIU-FQEVSTJZSA-N 400.906 3.493 0 40 HGAB COc1ccc(CN(C(=O)COc2ccc(OC)cc2)[C@H](C)C(=O)NC(C)C)cc1 225666603 IRAIAKHXBRGZOA-QGZVFWFLSA-N 414.502 3.025 0 40 HGAB CN1CCN(C(=O)C[C@H]2CC3(CCN(Cc4cccnc4)CC3)c3ccccc32)CC1 96052944 RJDOUYJJISJQQG-QFIPXVFZSA-N 418.585 3.267 0 40 HGAB COc1ccc(OC)c(NC(=O)c2ccc(N3C(=O)[C@@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2)c1 253568729 LOVGBFOIJTVHGM-VUEDXXQZSA-N 418.449 3.268 0 40 HGAB CCOc1ccc(C=c2sc3nc(-c4ccccc4C)nn3c2=O)cc1OCC 254765016 HQFKFHXFRNLFCG-UHFFFAOYSA-N 407.495 3.472 0 40 HGAB COc1ccc(C2=NN(C3=NC(=O)[C@@H](CC(=O)O)S3)[C@@H](c3ccccc3)C2)cc1 252493910 NGHDDHMVLIPUQN-QZTJIDSGSA-N 409.467 3.319 0 40 HGAB Cc1cc(-c2ccc(N)nc2)cc([C@H]2CN(CC(=O)N(C)C3CCCCC3)CCO2)n1 257324835 WQKDQSAZNGJKNT-JOCHJYFZSA-N 423.561 3.199 0 40 HGAB Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)N[C@H](C)C(C)C)Oc3ccccc32)cc1 260900036 RUWVEOCJTCSFBU-OXQOHEQNSA-N 402.516 3.112 0 40 HGAB COCCOc1nc(-c2ccccc2)nc2c1CCN(C(=O)c1cccs1)CC2 585111118 FFPPXYXVUIEAKN-UHFFFAOYSA-N 409.511 3.471 0 40 HGAB CC(C)(C)[C@H]1CC[C@](O)(CN2CCC[C@@H]3[C@H]2CCCCN3S(C)(=O)=O)CC1 585282106 AMENWOCPXICAQP-XCJLJZCSSA-N 400.629 3.232 0 40 HGAB CN(Cc1ccc(OCc2ccccn2)cc1)C[C@]1(O)CCN(c2ccccn2)C1 585271374 XFXSDAAPODCDQU-XMMPIXPASA-N 404.514 3.129 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3csc4c3CC[C@H](C)C4)CC2)cc1 12738784 IJPBIPUPZJKCFI-INIZCTEOSA-N 418.584 3.328 0 40 HGAB COC(=O)c1ccc(NC(=S)NC(=O)c2c(F)c(F)c(OC)c(F)c2F)cc1 17090523 RIFIGGJZRHUWRI-UHFFFAOYSA-N 416.352 3.165 0 40 HGAB CC(=O)N1CCC(C(=O)N2CCCC[C@H]2c2nc(O)cc(-c3ccsc3)n2)CC1 19016755 XLCFPLCCZZSHFO-SFHVURJKSA-N 414.531 3.223 0 40 HGAB CC(C)CCC[C@H](C)NC(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 19163848 URFXPLFVPCQGEZ-INIZCTEOSA-N 405.564 3.179 0 40 HGAB COc1cccc(CNC(=O)C2CCC3(CC2)CNC(=O)c2cc(C)ccc2O3)c1 19219087 KHCRYOYFTLXLGS-UHFFFAOYSA-N 408.498 3.371 0 40 HGAB C[C@@H]1C[C@H]1C(=O)N1CCC(c2cc3nc4c(c(O)n3n2)CN(C2CCCC2)CC4)CC1 19462886 YQJGKCSOWGUEQK-CRAIPNDOSA-N 423.561 3.098 0 40 HGAB CCc1noc(C)c1C(=O)N1CCC[C@@H](c2cc(NC)nc(-c3ccncc3)n2)C1 19521208 DSUISQUMCUPSAD-MRXNPFEDSA-N 406.490 3.459 0 40 HGAB Cc1noc(-c2cnc(N(C)C)nc2[C@@H]2CCCN2C(=O)Cc2ccccn2)c1C 19558468 MPAXPBQDECPXHN-SFHVURJKSA-N 406.490 3.116 0 40 HGAB O=C(CCN1CCN(c2ccccn2)CC1)Nc1nnc(C2CCCCC2)s1 19660952 YZXUTHBMOMZJIF-UHFFFAOYSA-N 400.552 3.132 0 40 HGAB O=C1NCCc2nc(C3CCN(C(=O)c4ccccc4)CC3)cc(C(F)(F)F)c21 19703777 UNADTGWWAJXNPQ-UHFFFAOYSA-N 403.404 3.406 0 40 HGAB Cc1nc([C@@H]2CCCCN2C(=O)CN(C)C)nc2c1CCCN2Cc1ccccc1 19706840 VJQKPJNGNQFMHB-NRFANRHFSA-N 407.562 3.353 0 40 HGAB COc1ccc(-c2nc(CNC(=O)c3ccc4nnc(C5CC5)n4n3)cs2)cc1 1889249489 ASHXPOHZCMTRMK-UHFFFAOYSA-N 406.471 3.064 0 40 HGAB CCCN1CCN(CCC(N)=O)C[C@@H](Cc2ccc(-c3cccc(C)c3)cc2)C1=O 1848353474 OJCDJAVBPYESOU-HSZRJFAPSA-N 407.558 3.250 0 40 HGAB CN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nnc(C3CC3)o2)cc1 2456997 ZFBGQOLXKQLHAG-UHFFFAOYSA-N 412.471 3.020 0 40 HGAB Cc1cccc(-n2nc3c(c2NC(=O)c2c(F)cccc2F)CS(=O)(=O)C3)c1C 3009539 FMMGKJQTNAELAZ-UHFFFAOYSA-N 417.437 3.448 0 40 HGAB O=C(CSc1ncnc2c1nnn2Cc1ccc(F)cc1)OCc1ccccc1 4166491 YFOKWEHWKSQYKI-UHFFFAOYSA-N 409.446 3.244 0 40 HGAB O=C(C[C@@H]1NC(=O)N(C2CCCCC2)C1=O)Nc1cccc(CCc2ccncc2)c1 12428817 OTXMGEYOGUWESI-NRFANRHFSA-N 420.513 3.449 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cc(C)nn3C(C)C)CC2)cc1 13657049 GJIWWGNPJXRBEB-UHFFFAOYSA-N 404.536 3.120 0 40 HGAB CCc1cccc2sc(N(CCN3CCOCC3)C(=O)c3ccnn3CC)nc12 14850711 WAURSLZZOHXILX-UHFFFAOYSA-N 413.547 3.054 0 40 HGAB O=C(Cn1cccc(-c2nc(-c3ccc(F)cc3)no2)c1=O)NCc1ccc(F)cc1 49002485 PRWXFOVOYMJSAT-UHFFFAOYSA-N 422.391 3.160 0 40 HGAB C[C@@H]1CN(Cc2ccccc2NC(=O)NCc2ccc(-n3cccn3)nc2)C[C@@H](C)O1 40145364 CXIBUNPMNGROPD-QZTJIDSGSA-N 420.517 3.198 0 40 HGAB Cc1ccc2c(C)c(CCC(=O)NC3CCN(C(=O)c4ccoc4)CC3)c(=O)oc2c1 31038741 RALAXKWYQUHCSU-UHFFFAOYSA-N 422.481 3.356 0 40 HGAB COc1ccc(-c2nc(CC(=O)NCc3ccc(C(=O)O)cc3)cs2)cc1OC 32096379 QWNIRGZUHMKOMR-UHFFFAOYSA-N 412.467 3.384 0 40 HGAB CN(C)c1ccc(NC(=O)COC(=O)c2ccc(I)cc2)cc1 2622046 PZEWNPAYWLLPLI-UHFFFAOYSA-N 424.238 3.153 0 40 HGAB CCOC(=O)c1nnn([C@@H](CC)C(=O)Nc2cc(Cl)ccc2C)c1C(=O)OCC 2686858 BFBYVUAUTHMSRN-AWEZNQCLSA-N 422.869 3.183 0 40 HGAB Cc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2-n2cc[n+](C(C)C)c2)cc1 2301096 BGNNMZLQUOMFBE-UHFFFAOYSA-N 408.507 3.398 0 40 HGAB Cc1ccc(S(=O)(=O)CCC(=O)NCc2ccc(CN3CCCCC3)cc2)cc1 7447931 GGILKQSFLYYJAT-UHFFFAOYSA-N 414.571 3.461 0 40 HGAB Cn1ccnc1[C@H](NC(=O)COc1ccc2c(c1)CCC(=O)N2)c1ccc(Cl)cc1 32902097 IIDPHZNAYFEURE-OAQYLSRUSA-N 424.888 3.243 0 40 HGAB CC(=O)c1cccc(NC(=O)COC(=O)CCC(=O)Nc2ccccc2Cl)c1 8413746 NQZNLTMKAVUDPF-UHFFFAOYSA-N 402.834 3.443 0 40 HGAB Cc1ccc([C@H](CNC(=O)c2cc(-c3ccc4c(c3)OCCO4)on2)N(C)C)cc1 21807543 RBZJLJGCAVNTJA-IBGZPJMESA-N 407.470 3.454 0 40 HGAB Cc1ccc(CNC(=O)CN2N=C(c3ccccc3)c3ccccc3S2(=O)=O)cc1 21942445 YQTWZTMILNLGIG-UHFFFAOYSA-N 419.506 3.068 0 40 HGAB Cc1nn(CCC(=O)Nn2c(C)nc3sc4c(c3c2=O)CCCC4)c(C)c1Cl 2780283 IYJOTFMDMIXLKR-UHFFFAOYSA-N 419.938 3.272 0 40 HGAB CC(C)(C)c1cc(NC(=O)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)n(-c2ccc(F)cc2)n1 103146581 BPTZJCWJLQCMCG-IRXDYDNUSA-N 424.476 3.199 0 40 HGAB COc1ccccc1NC(=O)Cc1noc(COC(=O)c2cc3c(s2)CCC3)n1 9069952 FLGXAISZMUNGDT-UHFFFAOYSA-N 413.455 3.167 0 40 HGAB C[C@H](NC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)[C@@H]1C[C@@H]2CC[C@@H]1C2 102963097 ZKPMRPACCARHHJ-SFFNPBHPSA-N 404.576 3.345 0 40 HGAB Cc1ccc(C(=O)NCCNC(=O)c2c[nH]nc2-c2ccc(Cl)cc2)cc1F 22976349 ILZDFJWFTFLHGG-UHFFFAOYSA-N 400.841 3.337 0 40 HGAB Cc1c(N[C@@H](NC(=O)C(C)C)C(Cl)(Cl)Cl)c(=O)n(-c2ccccc2)n1C 725094 PAHXDDCBZUQKGG-INIZCTEOSA-N 419.740 3.365 0 40 HGAB COC(=O)CSC1=Nc2c(cnn2-c2ccc(C)c(Cl)c2)C2=NCCCN12 12391201 QAZHYWVQRUAJLS-UHFFFAOYSA-N 403.895 3.194 0 40 HGAB C[C@H]1CN(C(=O)c2ccccc2NS(=O)(=O)c2ccc(Cl)s2)C[C@@H](C)O1 23078221 OPAGWOZMFNGUMQ-TXEJJXNPSA-N 414.936 3.452 0 40 HGAB Cc1ccc(N2C(=O)N[C@@](NC(=O)c3ccccc3F)(C(F)(F)F)C2=O)cc1C 12462213 KTOYLMVPGMMNBR-GOSISDBHSA-N 409.339 3.187 0 40 HGAB COC(=O)c1cccc(CN2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c1 23753025 DXONWDUXGZAEMR-UHFFFAOYSA-N 424.522 3.133 0 40 HGAB COc1ccc(NC(=O)C2CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)cn1 12526948 FKFHRIWQVLQDGE-UHFFFAOYSA-N 417.531 3.055 0 40 HGAB O=C(CSc1nc2[nH]ncc2c(=O)n1-c1ccc(F)c(F)c1)Nc1ccccc1 51316750 BYJZUEICYKZCCO-UHFFFAOYSA-N 413.409 3.118 0 40 HGAB C[C@H]1CCCCN1Cc1ccccc1CNC(=O)[C@H]1CCCN(c2cnccn2)C1 105663186 KPIAYDSUOSVHKF-UGKGYDQZSA-N 407.562 3.384 0 40 HGAB Cc1cccc(-c2nnc(S)n2CC(=O)NCc2ccccc2Cn2ccnc2)c1 24437620 KQHBFDCCTVFXTP-UHFFFAOYSA-N 418.526 3.103 0 40 HGAB O=S(=O)(Nc1cccc(-c2nnc3n2CCC3)c1)c1ccccc1Br 24426664 ZWBYDJAJVSOHNM-UHFFFAOYSA-N 419.304 3.455 0 40 HGAB C[C@H](NC(=O)CN1C(=O)NC2(C1=O)[C@@H](C)CCC[C@@H]2C)c1ccc2c(c1)CCCC2 24758879 KBAZNBKUNVKWSN-ULQDDVLXSA-N 411.546 3.489 0 40 HGAB CC(C)c1ccc(N2C(=O)CN(C3CCCCCC3)[C@H]3CS(=O)(=O)C[C@H]32)cc1 55408769 OLHOSTGLYPRTOV-LEWJYISDSA-N 404.576 3.347 0 40 HGAB Cc1ccccc1-c1nnc(SCC(=O)Nc2cccc(Br)c2)n1N 10144924 GQRNOOMLDTTWAS-UHFFFAOYSA-N 418.320 3.461 0 40 HGAB O=C(NCc1nnc2ccc(C(F)(F)F)cn12)c1cccc(OC[C@H]2CCCO2)c1 26358294 QFMBUEVPMWWFGL-MRXNPFEDSA-N 420.391 3.236 0 40 HGAB COc1cc(Cc2nccc3cc(OC)c(OC)cc23)c(S(=O)(=O)O)cc1OC 1827672 JNZBTPZSMODXSL-UHFFFAOYSA-N 419.455 3.107 0 40 HGAB biogenic O=C(COc1ccc2c(c1)CCC(=O)N2)/N=c1\sccn1Cc1ccccc1F 48285809 JAZUXXSFNBGOGL-FLFQWRMESA-N 411.458 3.128 0 40 HGAB COc1cc(CC(=O)NCCCc2nc3c(s2)CCCC3)cc(OC)c1OC 58355406 SGFGBRFNWIYRGB-UHFFFAOYSA-N 404.532 3.339 0 40 HGAB O=C(OCc1cc(Cl)c2c(c1)OCCO2)C1CCN(C(=O)c2ccco2)CC1 28030494 OKPAUTNAAYLHCC-UHFFFAOYSA-N 405.834 3.300 0 40 HGAB COc1cc(/C=C/C(=O)OCC(=O)Nc2ccccc2C(C)=O)cc(OC)c1OC 3385462 LQGPEWYRAQYMGP-MDZDMXLPSA-N 413.426 3.110 0 40 HGAB COC(=O)C1=C(N)Oc2cc(C)n(Cc3ccccc3)c(=O)c2[C@H]1c1ccc(F)cc1 2256387 WLCQLRPKFOTIAF-LJQANCHMSA-N 420.440 3.212 0 40 HGAB Cc1cc(C)nc(N2CCN(c3nc(Cl)nc4c3cnn4-c3ccccc3)CC2)n1 2300852 QXPZEXKWHJPJDU-UHFFFAOYSA-N 420.908 3.202 0 40 HGAB COc1cc(Br)c(OC)c(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)c1 12762256 UHQVPVSYGVDKOS-OAHLLOKOSA-N 419.319 3.471 0 40 HGAB COc1cccc(C(=O)Nc2nnc(S(=O)(=O)Cc3ccccc3C)s2)c1 27663943 FVEYNAZTNYMLFM-UHFFFAOYSA-N 403.485 3.081 0 40 HGAB COC(=O)c1c(COC(=O)c2cccc(S(C)(=O)=O)c2)nc2ccccc2c1C 17728267 UDPPTJZTRYGRTD-UHFFFAOYSA-N 413.451 3.090 0 40 HGAB O=C(N[C@H]1C(=O)N/[N+](=C\c2ccc(Cl)cc2)[C@@H]1c1ccccc1)c1ccc(F)cc1 409061019 BMOJUHRJCJKIAF-MAEDJNRBSA-O 422.867 3.495 0 40 HGAB C[C@@H]1CCc2c(C(=O)OCC(=O)N(C)CC(=O)Nc3ccc(F)cc3)csc2C1 8669483 RSQWRAHZWDBFFY-CYBMUJFWSA-N 418.490 3.266 0 40 HGAB COCc1nnc(NC(=O)CCSc2ncnc3sc4c(c23)CCC4)s1 49546083 KEXCGDHBFBWCOW-UHFFFAOYSA-N 407.546 3.299 0 40 HGAB O=C(c1cnc(Nc2nc3ccccc3o2)nc1)N1CCN(c2ccccc2)CC1 13957735 ONLJTCGZWCLAGU-UHFFFAOYSA-N 400.442 3.324 0 40 HGAB CN(C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1)c1cc(-c2ccccc2)[nH]n1 65565303 QGXVTQHIAAAKIB-UHFFFAOYSA-N 418.906 3.014 0 40 HGAB CC[C@H]1CCc2sc(C(=O)OCC(=O)NCC(=O)Nc3ccc(F)cc3)cc2C1 5561315 SZYQCZKNGNAURP-ZDUSSCGKSA-N 418.490 3.314 0 40 HGAB Nc1nonc1-c1nc2ccccc2n1CC(=O)Nc1cccc(C(F)(F)F)c1 4908495 DQCHQMBZHFBFNQ-UHFFFAOYSA-N 402.336 3.326 0 40 HGAB aggregator O=C(Nc1ccccc1)C1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 15364035 ZKUAABSIDKZHRQ-UHFFFAOYSA-N 423.332 3.489 0 40 HGAB COc1ccccc1-c1noc(COC(=O)C[C@@H]2Sc3ccccc3NC2=O)n1 7047728 MQVVKXAWAXSWOF-INIZCTEOSA-N 411.439 3.292 0 40 HGAB CN(CC(=O)Nc1ccccc1C(=O)NC1CCCC1)Cc1ccc2c(c1)OCO2 7641482 XAENCODIQIQAQY-UHFFFAOYSA-N 409.486 3.158 0 40 HGAB CCOC(=O)c1ccc(NC(=O)CN(c2cccc(C)c2)S(C)(=O)=O)cc1Cl 22432214 NDEDATNUDVDNJO-UHFFFAOYSA-N 424.906 3.230 0 40 HGAB CC(C)C(=O)Nc1ccc(C(=O)CN2C(=O)N[C@]3(CCCc4ccccc43)C2=O)cc1 9587073 YWWCOEVZXQVNHH-DEOSSOPVSA-N 419.481 3.247 0 40 HGAB Cc1sc2ncn(CC(=O)NCCCc3nc4ccccc4s3)c(=O)c2c1C 9854595 FSCHIQDFTZXJHN-UHFFFAOYSA-N 412.540 3.434 0 40 HGAB CCOC(=O)Nc1cc(S(=O)(=O)N(C)Cc2ccc(OC)cc2)ccc1OCC 408585695 IICIKYWBBCWCFW-UHFFFAOYSA-N 422.503 3.483 0 40 HGAB CCOc1ccccc1N1C[C@@H](C(=O)NCCc2cccc3cccnc23)CC1=O 95947320 HQQHPBWFSFLJPO-IBGZPJMESA-N 403.482 3.345 0 40 HGAB CC(C)CN(C[C@H](O)c1ccc(F)cc1)c1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 89840137 JARUPSXSCWUPHX-FQEVSTJZSA-N 421.476 3.444 0 40 HGAB COc1ccc(/C=C2\SC(=O)N(CC(=O)N3CCCC[C@@H]3C)C2=O)cc1OC 409203180 UYEAGJYJDGOTHV-MFVBVHDHSA-N 404.488 3.141 0 40 HGAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)C2CCN(Cc3ccc(C)cc3)CC2)c1 39765502 CCYOZIPVCGMPPU-UHFFFAOYSA-N 424.497 3.419 0 40 HGAB CC(C)c1nnc(CN2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)o1 60371464 MFSUEEUOOLVPNM-UHFFFAOYSA-N 419.334 3.006 0 40 HGAB COc1ccc2[nH]c(=O)c([C@@H]3c4cc(OC)c(OC)cc4CCN3C(C)=O)cc2c1 35313405 AUBSGPLWECQIGJ-QFIPXVFZSA-N 408.454 3.048 0 40 HGAB COc1ccccc1N1CCN(C(=O)c2cc3c(OC)ccc(OC)c3n2C)CC1 72400923 DMHODTXHQTVHPO-UHFFFAOYSA-N 409.486 3.167 0 40 HGAB COc1ccccc1N1C(SCc2ccc(F)cc2)=N[C@@H]2CS(=O)(=O)C[C@H]21 32639911 QXVKFVLTQXYGEN-NVXWUHKLSA-N 406.504 3.109 0 40 HGAB Cc1cc(-c2cnn(C)c2)cc([C@H]2CCN(C(=O)COc3ccc(F)cc3F)C2)n1 72374688 AHUXACXIHATBOK-HNNXBMFYSA-N 412.440 3.464 0 40 HGAB COCCN(C[C@@H]1CCCN2CCCC[C@@H]12)C(=O)Nc1ccc(C(=O)OC)cc1 1565520547 WBAKMLPKKFXQPV-ICSRJNTNSA-N 403.523 3.218 0 40 HGAB biogenic CCN(CC)C(=O)CN1CCC[C@@H]1c1nc(C)c2c(n1)N(Cc1ccccn1)CCC2 72373756 ZTSKBTLIHKRNIP-OAQYLSRUSA-N 422.577 3.138 0 40 HGAB CCOc1ccccc1NC(=O)Cn1nnc(C(=O)Nc2cc(C)ccc2C)c1C 71327288 NLSLUUXTDRQULW-UHFFFAOYSA-N 407.474 3.493 0 40 HGAB COc1cccc(CN2CCCC[C@H]3CN(S(=O)(=O)c4ccccc4)C[C@H]32)c1 72399180 QVEHVNUQEPTWIV-SIKLNZKXSA-N 400.544 3.370 0 40 HGAB C[C@@H]1C[C@@H](C)CN(Cc2ccc(CNC(=O)c3ccc4c(c3)OCC(=O)N4)cc2)C1 48311033 CLNKFAHVJIVXIL-IAGOWNOFSA-N 407.514 3.425 0 40 HGAB CNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CCc1ccc2c(c1)OCCO2 225407751 QBXDNFDYBSRZCU-OAHLLOKOSA-N 416.905 3.207 0 40 HGAB Cc1cccc(CSCCNC(=O)[C@@H](C)N(c2ccccc2F)S(C)(=O)=O)c1 220302039 GLMAKJSFBUKHEU-MRXNPFEDSA-N 424.563 3.338 0 40 HGAB CC[C@@H](C(=O)NCCCc1ccc(OC)cc1)N(c1cccc(C)c1)S(C)(=O)=O 220516276 NOIPDWKLYCLGEB-NRFANRHFSA-N 418.559 3.297 0 40 HGAB Cc1ccc(S(=O)(=O)N(C)[C@@H](Cc2cccc(C(F)(F)F)c2)C(=O)O)cc1 225162264 DLAZKDMJHPEBHE-INIZCTEOSA-N 401.406 3.330 0 40 HGAB CCn1c(=O)oc2cc(S(=O)(=O)Nc3ccc(Br)cc3)c(C)cc21 223354191 DJOQNIIGUVGBIX-UHFFFAOYSA-N 411.277 3.486 0 40 HGAB Cc1cc(C)c([C@H](C)NC(=O)CN(c2ccccc2F)S(=O)(=O)N(C)C)cc1C 223459016 WHBATQONHXHGEW-KRWDZBQOSA-N 421.538 3.241 0 40 HGAB Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)Nc3c(F)cccc3F)s2)cc1 222539213 HLVUFRGGQSPZBX-UHFFFAOYSA-N 410.427 3.178 0 40 HGAB CSc1cccc(N(CC(=O)N[C@@H]2CCCc3ccccc32)S(C)(=O)=O)c1 220073286 AOTOJXPVYLXUIV-LJQANCHMSA-N 404.557 3.368 0 40 HGAB CSCC[C@@H]1NC(=O)c2cc(NC(=O)Cn3ccc4ccccc43)ccc2NC1=O 96221862 XATQFDLANNFRDC-SFHVURJKSA-N 422.510 3.084 0 40 HGAB biogenic CN(C)CCNC(=O)C[C@@H]1CC2(CCN(C(=O)c3ccccc3)CC2)c2ccccc21 96242219 XCWJLXFWFRORNS-OAQYLSRUSA-N 419.569 3.416 0 40 HGAB CO[C@H]1CN(CC(=O)Nc2nc(-c3ccc(F)cc3)c(C)s2)CC[C@@]12CCCO2 257238043 HJIXAHIEYIXQGH-UWJYYQICSA-N 419.522 3.466 0 40 HGAB COc1ccc(CN2C[C@@H]3CN(C(=O)c4ccccc4OC)CCN3C(C)(C)C2)cc1 253404655 RHJKZMMUXJNWGV-HXUWFJFHSA-N 423.557 3.125 0 40 HGAB biogenic,in-vitro NC(=O)CC1(COc2ccc(F)cc2)CCN(C(=O)c2ccc(F)cc2F)CC1 257286548 PLZMWUOSYJBXGX-UHFFFAOYSA-N 406.404 3.281 0 40 HGAB CC(=O)[C@@H]1CC(C(=O)NC[C@H](c2ccco2)N2CCCCC2)=NN1c1ccccc1 58304524 NEAOACMKSLQBER-LEWJYISDSA-N 408.502 3.147 0 40 HGAB COc1ccc(S(=O)(=O)NCC2(c3ccsc3)CCOCC2)cc1Cl 952990002 RFANGOYEPCSCKH-UHFFFAOYSA-N 401.937 3.437 0 40 HGAB Cc1nc(-c2ccc(CNC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)cc2)cs1 12614507 WCGHPSLEMCOMOC-UHFFFAOYSA-N 415.540 3.299 0 40 HGAB CCCCNC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C1 13677872 HCNIQIVUPPCZMT-CYBMUJFWSA-N 407.363 3.452 0 40 HGAB COc1cc(Br)c(/C=C2\NC(=S)N(Cc3ccco3)C2=O)cc1O 14235749 CSUVSLMWQDAGFE-XGICHPGQSA-N 409.261 3.014 0 40 HGAB COCCCN(Cc1ccccn1)C(=O)c1cccc([C@H]2CCc3nnc(C)n3C2)c1 19698204 GTOQFJQHXMRDMV-NRFANRHFSA-N 419.529 3.390 0 40 HGAB COc1c2ccc(C(=O)N[C@H]3CCN(c4ccc(C(F)(F)F)cn4)C3)cc2nn1C 206787253 XXLGBGGCWMOECH-AWEZNQCLSA-N 419.407 3.004 0 40 HGAB CO[C@H]([C@H](C)C(=O)N[C@H](C)[C@H](O)c1ccccc1)[C@@H]1CCCN1C(=O)OC(C)(C)C 504148186 XJDVGABQIFOWFC-HHUCQEJWSA-N 420.550 3.275 0 40 HGAB CCN1CCOc2ccccc2CCCC[C@]2(CN(C(=O)CC3CC3)CCO2)C1=O 643557390 VOGGLPIPMNIZEH-DEOSSOPVSA-N 414.546 3.038 0 40 HGAB CC(C)[C@@H](CNC(=O)c1cc2c(cc1Br)NC(=O)CO2)c1cccnc1 542023924 SUJHHZQCBFPUAB-CQSZACIVSA-N 418.291 3.345 0 40 HGAB CCCc1ccc(C(=O)N2CCC3(CC2)C[C@]2(CO3)NC(=O)c3ccccc3N2)o1 12085490 OVAHPEFMKZKWEZ-HSZRJFAPSA-N 409.486 3.179 0 40 HGAB Cc1ccc(-n2c(SCC(=O)NC(N)=O)nnc2-c2ccc(Cl)cc2)cc1 3400112 VTAPPPFDQKVZEY-UHFFFAOYSA-N 401.879 3.183 0 40 HGAB Cc1cc2cc(CNC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)ccc2n1C 4061574 HINARVISCHQVBB-UHFFFAOYSA-N 411.527 3.201 0 40 HGAB aggregator O=C(CSc1nc(=O)n(Cc2ccncc2)c2c1CCC2)Nc1ccc(F)cc1 4330132 XLHYJNPJJMOEHP-UHFFFAOYSA-N 410.474 3.045 0 40 HGAB CC(=O)c1ccc(NC(=O)Cn2cnc3c(cnn3-c3cccc(C)c3C)c2=O)cc1 4479203 HZZBDLAZWCZNLM-UHFFFAOYSA-N 415.453 3.040 0 40 HGAB Cc1ccc(CNC(=O)c2ccc3c(=O)n(CCc4ccccc4)c(=O)[nH]c3c2)cc1 4791580 DYUFSMBSAPBIAW-UHFFFAOYSA-N 413.477 3.171 0 40 HGAB CC(C)CN1C(=O)CCc2cc(NS(=O)(=O)c3ccc4c(c3)OCCO4)ccc21 8840839 YCCBJODEVDFUFH-UHFFFAOYSA-N 416.499 3.194 0 40 HGAB CCCCOc1ccc(C(=O)Nn2cnc3c(cnn3-c3ccc(C)cc3)c2=O)cc1 10251423 PVVFXWJBBXCQJF-UHFFFAOYSA-N 417.469 3.453 0 40 HGAB O=C(NCCOc1ccc2nnc(-c3cccc(F)c3)n2n1)c1ccc(F)cc1F 11693880 NLEBOPQFFPSLQP-UHFFFAOYSA-N 413.359 3.017 0 40 HGAB O=C(CSCc1ccccc1)NCCOc1ccc2nnc(-c3ccccc3)n2n1 12443224 RCTNKXWMFFJOSJ-UHFFFAOYSA-N 419.510 3.220 0 40 HGAB COc1ccc(C2(CNC(=O)C(=O)Nc3cccc(NC(C)=O)c3)CCCC2)cc1 21691547 BJZHKTFFRFRFBC-UHFFFAOYSA-N 409.486 3.220 0 40 HGAB COc1cc(C(C)=O)ccc1OC[C@H](O)CN1CCN(c2ccccc2Cl)CC1 19999754 CASNFPCMRCCCCV-GOSISDBHSA-N 418.921 3.113 0 40 HGAB Cc1ccc(NC(=O)CCCN2C(=O)c3ccccc3N3C(=O)CC[C@@]23C)c(O)c1 40144732 PBEQRAOOLKJMNF-QHCPKHFHSA-N 407.470 3.418 0 40 HGAB Cc1occc1C(=O)Nc1nc(CC(=O)N2CCN(Cc3ccccc3)CC2)cs1 40128101 VRDXKAFTQZQICO-UHFFFAOYSA-N 424.526 3.184 0 40 HGAB CCC(=O)Nc1ccc(NC(=O)CSc2nnnn2-c2ccccc2F)cc1C 1361298 DJPFAEZNWGOQPS-UHFFFAOYSA-N 414.466 3.189 0 40 HGAB O=C(Cn1nnc(-c2ccccc2NC(=O)C2CCCCC2)n1)Nc1ccccc1 1361755 ZJJDSKLVSSOAGN-UHFFFAOYSA-N 404.474 3.498 0 40 HGAB CCOC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)COc1ccc(Cl)cc1 1782147 NPOZQZFWCWCTDP-IBGZPJMESA-N 400.862 3.491 0 40 HGAB CCSc1nnc(C(F)F)n1NC(=O)[C@@H](C)Cn1nc(C(F)(F)F)cc1C 2792114 QPFMCHSLCIAAJP-ZETCQYMHSA-N 412.388 3.258 0 40 HGAB CCCNC(=O)[C@@H]1CC(=O)N(c2ccc(OCC(=O)Nc3cc(C)cc(C)c3)cc2)C1 4180678 WTWBNDAEIJRLGO-GOSISDBHSA-N 423.513 3.200 0 40 HGAB COc1ccc(N2C[C@@H](C(=O)Nc3nc4c(s3)C(=O)CC(C)(C)C4)CC2=O)cc1 4731942 OVXIIYKSTJIIIU-LBPRGKRZSA-N 413.499 3.298 0 40 HGAB Cc1ccccc1N(CC(=O)NC(C)(C)C)C(=O)CCC(=O)Nc1nccs1 4848344 VIOCARFHHDWDOW-UHFFFAOYSA-N 402.520 3.118 0 40 HGAB CCOc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2OC)cc1OC 6052732 YINZPDZXVLLDJD-HXUWFJFHSA-N 411.458 3.369 0 40 HGAB CCCCNC(=O)CN1CC[C@@]2(O)CCCC[C@@H]2[C@@H]1c1ccc(OC)c(OC)c1 6264311 ZGZBWUSZKAEWNH-LEOXJPRUSA-N 404.551 3.288 0 40 HGAB biogenic CC(C)(C)NC(=O)COC(=O)c1cc(-c2ccccc2)c(N2CCOCC2)s1 7015149 AKIICIYLZLJXKY-UHFFFAOYSA-N 402.516 3.323 0 40 HGAB COc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2c(C)noc2C)cc1 7050803 CLQJGMWXVQDVDT-UHFFFAOYSA-N 401.444 3.353 0 40 HGAB O=C([C@H]1CN(C(=O)COc2ccc3c(c2)CCC3)c2ccccc2O1)N1CCCCC1 7825404 NCVZCLHZYXNFFQ-HSZRJFAPSA-N 420.509 3.361 0 40 HGAB CC(C)OC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)Nc2ccccc2)cc1 8415070 ABZYNKOPLHOKNW-UHFFFAOYSA-N 412.442 3.152 0 40 HGAB CCCNC(=O)OC[C@H]1C[C@@H]2CCN1C[C@@H]2c1cc(-c2ccccc2OC)nn1C 8635304 GZOLYWLIDPVPND-SCTDSRPQSA-N 412.534 3.410 0 40 HGAB biogenic,in-vitro COc1ccc(S(=O)(=O)NCCc2csc(-c3ccc(F)cc3)n2)c(OC)c1 8768833 CLGCUZAKOLYEIS-UHFFFAOYSA-N 422.503 3.487 0 40 HGAB COc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C)C(=O)C(C)(C)CO3)c(C)c1 9170210 UAXCJTHLIYWJSJ-UHFFFAOYSA-N 404.488 3.186 0 40 HGAB Cc1ccccc1N1C[C@@H](c2nnc(NC(=O)c3ccc4c(c3)OCO4)s2)CC1=O 9198210 PVLPZAQBYBGFPA-AWEZNQCLSA-N 422.466 3.348 0 40 HGAB CN1CCc2c([nH]c3ccccc23)[C@@H]1c1c(O)[nH]c(=O)n(CCC2=CCCCC2)c1=O 9331927 KWUIYOMYMPIQMR-NRFANRHFSA-N 420.513 3.191 0 40 HGAB biogenic O=C(CCNS(=O)(=O)c1ccc(Br)cc1)Nc1ccc(F)cc1F 9342819 KQHWFJFNAAFXDQ-UHFFFAOYSA-N 419.247 3.034 0 40 HGAB O=C1NC2(CCCC2)C(=O)N1CCC(=O)N1CCC[C@@H]1c1nc2ccccc2s1 9996067 PHAYCPZGJZXJFL-OAHLLOKOSA-N 412.515 3.215 0 40 HGAB CCOC(=O)N1CCN(C(=O)c2ccc3c(c2)C[C@H](c2ccccc2)OC3=O)CC1 10127881 HXKPCGCNXIXSJK-HXUWFJFHSA-N 408.454 3.055 0 40 HGAB Cc1ccc(N(CCCC(=O)NCCSC(C)(C)C)S(C)(=O)=O)cc1C 10333022 XQZNORPNPXKCAL-UHFFFAOYSA-N 400.610 3.498 0 40 HGAB NC(=O)c1cc(Cl)ccc1OCC(=O)Nc1c(F)cc(F)cc1Br 11115991 LRPKLRSOZJPFFA-UHFFFAOYSA-N 419.609 3.497 0 40 HGAB CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCCN(C(=O)Cn4cccn4)C3)cc2N1 12183590 PBTFTDFOPZAWLZ-IIAWOOMASA-N 410.444 3.183 0 40 HGAB CC(C)(C)c1nn(-c2ccccc2)c2[nH]c(=O)c(CNCCOC[C@@H]3CCCO3)cc12 12186392 UCUXFJOTAYCLKG-IBGZPJMESA-N 424.545 3.297 0 40 HGAB CCc1nccn1CCC(=O)N1CCC[C@H](c2nc3ccc(F)cc3cc2C(N)=O)C1 12221296 YPDCCZSMSBPCMA-HNNXBMFYSA-N 423.492 3.028 0 40 HGAB C[C@H]1CCc2c(sc3ncnc(NCCCN4CCN(c5ncccn5)CC4)c23)C1 12771663 DWGCVUNPMJGYQU-INIZCTEOSA-N 423.590 3.230 0 40 HGAB C[C@H]1C[C@H]1c1ccc(CCC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)o1 12773008 JHKHMSAZQXXEMH-DOTOQJQBSA-N 420.506 3.008 0 40 HGAB O=C(C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1)N1CCCc2ccccc21 12905818 OJRUEMGIVXHCKL-UHFFFAOYSA-N 420.481 3.345 0 40 HGAB CSCC[C@@H](NC(=O)c1ccco1)C(=O)Nc1ccc(C(=O)OC(C)C)cc1 12976034 QQOCJQBWHYZTPR-MRXNPFEDSA-N 404.488 3.335 0 40 HGAB CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)c2nc(-c3ccccc3Cl)no2)cc1 13494837 GPMDWTRLAJICET-NSHDSACASA-N 420.878 3.388 0 40 HGAB Cc1cccc(CCCNC(=O)CN(c2ccc(Cl)cc2C)S(C)(=O)=O)c1 13669321 NGBVRMBFHURDCJ-UHFFFAOYSA-N 408.951 3.472 0 40 HGAB COc1cc(-c2nc3c(s2)CN(C(=S)NC2CC2)CC3)cc(OC)c1OC 13723852 QXHZYNAWMARTAU-UHFFFAOYSA-N 405.545 3.231 0 40 HGAB O=C1CCC(=O)N1Cc1ccc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1 15601998 CAIUIMPZNFQUQF-IBGZPJMESA-N 420.465 3.084 0 40 HGAB COc1ccc(C2=NO[C@@H]3C(=O)N(c4ccc5ccccc5c4)C(=O)[C@@H]23)c(OC)c1 16006759 OCDKRZKEVHNGKR-FPOVZHCZSA-N 402.406 3.150 0 40 HGAB CCCn1c(=O)n(CCC(=O)Nc2ccccc2N2CCCC2=O)c2ccccc21 16261636 YUKNLDOCWCRESG-UHFFFAOYSA-N 406.486 3.369 0 40 HGAB O=C1NC(=O)c2ccccc2/C1=C\Nc1nc(-c2ccc3c(c2)OCCO3)cs1 16720088 OOYYZNXWQFPNMQ-XNTDXEJSSA-N 405.435 3.304 0 40 HGAB CC(=O)c1ccc(NC(=O)CSc2nc(=O)n(Cc3ccco3)c3c2CCC3)cc1 16890707 OOJYYFRNHSWXMJ-UHFFFAOYSA-N 423.494 3.307 0 40 HGAB COC(=O)C[C@H](NC(=O)c1nc(C)n(-c2ccc(F)cc2)n1)c1ccc(Cl)cc1 17588099 MZWKJTMWUBPJGY-KRWDZBQOSA-N 416.840 3.402 0 40 HGAB COc1ccc(C(=O)NCC(=O)N[C@H](C)c2cccc(C(F)(F)F)c2)cc1OC 18016139 GCUBQDXGZYTONI-GFCCVEGCSA-N 410.392 3.330 0 40 HGAB O=C(N[C@@H](N1CCOCC1)C(Cl)(Cl)Cl)c1ccc(Br)cc1 19227786 GQEXNXBLUGZYMF-LBPRGKRZSA-N 416.530 3.207 0 40 HGAB CCNC(=O)[C@@]1(Cc2cccc(-c3ccccc3)c2)CCCN(C(=O)c2nc[nH]n2)C1 19528724 JUCGNULKXMMEMI-XMMPIXPASA-N 417.513 3.073 0 40 HGAB CCOc1ccccc1CNC(=O)CN(c1ccc(C(C)C)cc1)S(C)(=O)=O 20110370 CCAGDBWGOSECQK-UHFFFAOYSA-N 404.532 3.291 0 40 HGAB c1ccc(CN2CCc3c(sc4c3c(NCc3ccco3)nc3nnnn34)C2)cc1 20533495 HGBMZVICPWVQNH-UHFFFAOYSA-N 417.498 3.497 0 40 HGAB CC(=O)Nc1cccc(NC(=O)CCC(=O)N2CCc3[nH]c4ccccc4c3C2)c1 20762306 XMPBEVQAIMYIEF-UHFFFAOYSA-N 404.470 3.430 0 40 HGAB biogenic Cn1cccc1[C@H](CNS(=O)(=O)c1ccc(F)cc1)N1CCc2ccccc2C1 21153478 KCWYCHDWCSYFHK-QFIPXVFZSA-N 413.518 3.242 0 40 HGAB O=S(=O)(c1ccc(Cl)cc1C(F)(F)F)N1CCN(Cc2ccncc2)CC1 21182310 SZNXCAKCIGPZLF-UHFFFAOYSA-N 419.856 3.260 0 40 HGAB CCCCn1nc(C(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2)ccc1=O 21530423 SIBOSQNWFAHTMT-UHFFFAOYSA-N 406.490 3.281 0 40 HGAB CCCS(=O)(=O)N1CCc2ccc(NC(=O)CCc3ccc(OC)cc3)cc2C1 22678657 IUSPBBCXHRBKGA-UHFFFAOYSA-N 416.543 3.364 0 40 HGAB Cc1cc(C(=O)N(CCCN2CCOCC2)c2nc3ccc(F)cc3s2)no1 22768260 FLZAJGDMMNYIKX-UHFFFAOYSA-N 404.467 3.101 0 40 HGAB O=C(Cc1ccc(Cl)cc1Cl)Nc1ccc(NC(=O)CN2CCOCC2)cc1 23010348 QZWHMQGDHAOXJI-UHFFFAOYSA-N 422.312 3.445 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3oc4ccc(F)cc4c3C)CC2)s1 23041027 WDMSINBWUMWUTC-UHFFFAOYSA-N 422.503 3.397 0 40 HGAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)OCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 23054931 FANBYXPNDQAUPQ-SECBINFHSA-N 424.240 3.112 0 40 HGAB Cn1c(Cc2cccs2)nn(CN2CCN(Cc3ccsc3)CC2)c1=S 23250126 UJSPWOPQNYMJNR-UHFFFAOYSA-N 405.618 3.440 0 40 HGAB O=C(O)c1cc2c(cc1NS(=O)(=O)c1cc(Cl)sc1Cl)OCCO2 23268971 KADKNUZAMOZQGF-UHFFFAOYSA-N 410.256 3.325 0 40 HGAB CN(C)S(=O)(=O)c1cc(C(=O)OCCOc2cccc(Cl)c2)ccc1Cl 24711962 DJPAGZVJJNKPAU-UHFFFAOYSA-N 418.298 3.480 0 40 HGAB Cn1cc(S(=O)(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1C(N)=O 28197770 JYASFMNRRRRZGA-UHFFFAOYSA-N 405.863 3.371 0 40 HGAB CCc1ccc(C(=O)N2CCN(C(=O)CSCc3c(C)noc3C)CC2)cc1 29164057 RUQKBRCNMXKIAS-UHFFFAOYSA-N 401.532 3.072 0 40 HGAB O=C(/C=C/c1ccco1)NC(=S)Nc1nc2ccc(N3CCOCC3)cc2s1 32127151 BOFNDGFXMYNHNG-GQCTYLIASA-N 414.512 3.252 0 40 HGAB O=C(NC[C@H](c1ccccc1Cl)N1CCOCC1)c1cc(Br)c[nH]1 32375693 GONAAWWJTWPASX-MRXNPFEDSA-N 412.715 3.234 0 40 HGAB Cc1c(CC(=O)N2CCC[C@@H]2C(N)=O)c(=O)oc2cc3occ(C(C)(C)C)c3cc12 32646467 ZKOLWXWDALTSJC-QGZVFWFLSA-N 410.470 3.164 0 40 HGAB CCn1c(SCC(=O)Nc2ccccc2S(C)(=O)=O)nnc1-c1cccs1 32774366 NVKXIPKMVCHAQT-UHFFFAOYSA-N 422.557 3.161 0 40 HGAB CC(C)CCC[C@@H](C)NS(=O)(=O)c1cc2c(cc1Br)NC(=O)CO2 32825589 IVHJJOSWVQBGQV-LLVKDONJSA-N 419.341 3.273 0 40 HGAB CCCC[C@H](CC)CNS(=O)(=O)c1cc2c(cc1Br)NC(=O)CO2 32825710 QTIRWUBCXKQFKU-NSHDSACASA-N 419.341 3.275 0 40 HGAB COc1ccc(-c2nc(C(=O)NCCCN3C[C@@H](C)O[C@H](C)C3)cs2)cc1OC 32903362 MYJROGVPDJNEID-HUUCEWRRSA-N 419.547 3.056 0 40 HGAB CCS(=O)(=O)N1CCC(NC(=O)c2ccccc2CCc2ccccc2)CC1 32907591 JAJUFFAQHDDJBC-UHFFFAOYSA-N 400.544 3.016 0 40 HGAB COc1ccc(OC)c(CNC(=O)[C@@H]2CCCN2C(=O)Nc2ccc(F)cc2)c1 32934433 LZHVTWQNMCVIFP-SFHVURJKSA-N 401.438 3.156 0 40 HGAB Cn1c(SCC(=O)NCc2ccc3c(c2)OCCCO3)nnc1-c1cccs1 33087564 ABDWHOFKLUFIDN-UHFFFAOYSA-N 416.528 3.113 0 40 HGAB CC(=O)Nc1ccccc1OCc1noc(C(=O)NCc2ccccc2Cl)n1 36359307 JVHJKURQGNASMU-UHFFFAOYSA-N 400.822 3.190 0 40 HGAB COC(=O)c1cc(NC(=O)c2cn(-c3cccc(Br)c3)nn2)ccc1F 40073985 KYPZLWCHDGNVLJ-UHFFFAOYSA-N 419.210 3.208 0 40 HGAB COc1ccc(CNC(=O)c2ccc(Oc3nccnc3N3CCOCC3)cc2)cc1 49006063 UCOXHVDGDSXBPC-UHFFFAOYSA-N 420.469 3.044 0 40 HGAB Cc1noc2nc(-c3ccco3)cc(C(=O)NC[C@H](O)COc3ccc(F)cc3)c12 58016379 JEBRWXZMPHOWSD-AWEZNQCLSA-N 411.389 3.100 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NC34CC5CC(CC(C5)C3)C4)C2)cc1 64670370 GBJCZVJZHBIBSF-QSVDNLTKSA-N 416.587 3.481 0 40 HGAB COc1cccc(-c2nccnc2[C@@H]2CCCN(CC(=O)Nc3nccs3)C2)c1 72358601 WDZQXZUWORNZQE-MRXNPFEDSA-N 409.515 3.427 0 40 HGAB CC(C)N1CCc2nc3cc(C4CCN(C(=O)C[C@@H]5C=CCC5)CC4)nn3c(O)c2C1 72389797 UDFYSTJDYLXICK-QGZVFWFLSA-N 423.561 3.264 0 40 HGAB O=C(Nc1nc2c(s1)CN(C(=O)c1cc(-c3ccccc3)on1)CC2)[C@@H]1CCCO1 77192037 QPSUYYRXMZINBO-INIZCTEOSA-N 424.482 3.114 0 40 HGAB C[C@@H]1CN(S(=O)(=O)c2cccc(Br)c2)CCN1C(=O)OC(C)(C)C 79440451 GIPVKJGQWJCVQB-GFCCVEGCSA-N 419.341 3.079 0 40 HGAB Cc1sc(-n2cccc2)c(C(=O)OCC(=O)N2CCO[C@@H]3CCCC[C@@H]32)c1C 84062007 GCPRJMMSZQBWTK-DLBZAZTESA-N 402.516 3.482 0 40 HGAB O=C(Nc1ccc(F)c(C(F)(F)F)c1)[C@H]1COCC(=O)N1Cc1cccs1 90608507 GQRFYBDJIUYJIC-CQSZACIVSA-N 402.369 3.272 0 40 HGAB O=C(COC(=O)[C@H]1CCc2[nH]nc(C(F)(F)F)c2C1)Nc1ccccc1Cl 95466476 RXIFUAGXNQCXGX-VIFPVBQESA-N 401.772 3.369 0 40 HGAB CCN1CC2(CCN(Cc3ccc(C)o3)CC2)COc2ccccc2S1(=O)=O 96037145 JNIVMCVDYHBVIV-UHFFFAOYSA-N 404.532 3.273 0 40 HGAB CCN1[C@H]2CCN(Cc3cccc(OC)c3)CC[C@@H]2Oc2ccccc2S1(=O)=O 96145740 HQOHCCDFTDTPDM-PMACEKPBSA-N 416.543 3.131 0 40 HGAB O=C(c1ccc(C(F)(F)F)cc1)N1CCCn2nnc(CN3CCCCC3)c2C1 96259591 MHUIKZQBIRGUSP-UHFFFAOYSA-N 407.440 3.329 0 40 HGAB COc1ccc(Cl)cc1C(=O)NCCN1C(=O)S/C(=C/c2cccnc2)C1=O 96544286 GXEGVITVEXSTOX-CXUHLZMHSA-N 417.874 3.210 0 40 HGAB CC(C)COC(=O)[C@H]1C(=O)C[C@@](C)(O)[C@H](C(=O)OCC(C)C)[C@@H]1c1ccccc1 101047755 BRGRVHJIWQXPQK-QTDGGUCWSA-N 404.503 3.125 0 40 HGAB Cc1cc(C)n(-c2ccc(COC(=O)CCN3C(=O)[C@H]4CCCC[C@H]4C3=O)cc2)n1 103978327 ZZSMOYSUEYZPME-BGYRXZFFSA-N 409.486 3.098 0 40 HGAB COc1ccc(S(=O)(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1Cl 105058438 NPPOQQDNMXOIMD-VMPITWQZSA-N 406.935 3.368 0 40 HGAB CC[C@H](C(=O)Nc1cc(OC)ccc1OC)N(c1cccc(C)c1)S(C)(=O)=O 220497373 QSQLAEHYFKTZIA-GOSISDBHSA-N 406.504 3.196 0 40 HGAB CCc1ccc(N(CCCC(=O)Nc2nnc(SC)s2)S(C)(=O)=O)cc1 222661535 SGAOYZHOXDRFOK-UHFFFAOYSA-N 414.578 3.007 0 40 HGAB CNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)COc1ccccc1C 225470373 PZOKOEZHDAADSV-HNNXBMFYSA-N 419.319 3.300 0 40 HGAB Cc1ccc(S(=O)(=O)c2ccc(C(=O)C[C@]3(O)C(=O)Nc4ccccc43)cc2)cc1 226756778 ZXAKHAWHSYHBQZ-HSZRJFAPSA-N 421.474 3.241 0 40 HGAB CC(=O)N[C@@H]1c2ccccc2CC[C@@]12CN(Cc1ccccc1)C[C@H]2C(=O)NC(C)C 247960595 VJMXMHSFPSMDPT-GSLIJJQTSA-N 419.569 3.453 0 40 HGAB Cc1cc(I)cc(C)c1NC(=O)COC(=O)c1ccccn1 409211129 IAZLZLAZBWOIIF-UHFFFAOYSA-N 410.211 3.099 0 40 HGAB Cc1nccn1CCCC(=O)N1CCO[C@H](c2cccc(Nc3ccc(F)cn3)n2)C1 607855253 YRNRORZNZVQXOK-IBGZPJMESA-N 424.480 3.245 0 40 HGAB O=C(NC1CCOCC1)N1CCC(c2ccc3cc(-c4cncnc4)cnc3n2)CC1 1889011410 OHGGSUWZULLFFZ-UHFFFAOYSA-N 418.501 3.155 0 40 HGAB CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(C)cc3)C2)cc1 809628 ADUNGNKMWAETOK-KRWDZBQOSA-N 402.516 3.433 0 40 HGAB CC1=NN(C(=O)c2cccc(Br)c2)[C@](O)(C(F)(F)OC(F)(F)F)C1 983247 STLWPXYDNZVXLA-LLVKDONJSA-N 417.128 3.489 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C)c3ccc(F)cc3)CC2)cc1 1365487 RYNGCKPFKBPRHJ-OAHLLOKOSA-N 420.506 3.112 0 40 HGAB O=S(=O)(NNS(=O)(=O)c1ccc2ccccc2c1)c1ccc2ccccc2c1 1715193 BFGDZQAOPJDQQB-UHFFFAOYSA-N 412.492 3.165 0 40 HGAB COc1ccccc1NC(=O)CSc1nnc(-c2cnccn2)n1Cc1ccco1 2372390 RAYQFDATQRFREW-UHFFFAOYSA-N 422.470 3.116 0 40 HGAB Cc1cccn2c(=O)c3cc(C(=O)N4CCN(c5ccccc5)CC4)sc3nc12 2722960 ANWSSURGEUOGSK-UHFFFAOYSA-N 404.495 3.180 0 40 HGAB COc1cc(NC(=O)c2cc3ncc(Br)cn3n2)ccc1OC(F)F 2793433 FGMDQDZZTWTWNZ-UHFFFAOYSA-N 413.178 3.354 0 40 HGAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Nc2cc(NC(C)=O)ccc2OC)c1C 3379529 RZESEXSFOOSTOA-CYBMUJFWSA-N 401.463 3.459 0 40 HGAB CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N[C@H](CC(=O)O)c1ccc(F)cc1 3427098 ZUFFWHASOZOLTO-QMIHWGKISA-N 400.450 3.302 0 40 HGAB Cn1c(SCC(=O)NC[C@H]2CCCO2)nc2scc(-c3ccccc3)c2c1=O 3447594 ZZGWFTOKYUCSMK-CQSZACIVSA-N 415.540 3.049 0 40 HGAB CN(C[C@@H]1CCCO1)S(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)cc2)cc1 4325603 DTSVLFHYBQZFFB-KRWDZBQOSA-N 408.907 3.392 0 40 HGAB CCOC(=O)C1CCN([C@H](c2cccs2)c2sc3nc(CC)nn3c2O)CC1 4584766 YMCOMMGUPURAHT-OAHLLOKOSA-N 420.560 3.485 0 40 HGAB Cc1ccc2cc(CN(CCO)[C@@H](c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c2c1 4848016 WTPAAXPSPUHGOH-OAQYLSRUSA-N 424.549 3.130 0 40 HGAB CCOc1ccc(N2C[C@@H](NC(=O)NCCn3ccc4ccccc43)CC2=O)cc1 5087844 WNZAQPCZGBZSIS-SFHVURJKSA-N 406.486 3.145 0 40 HGAB O=C(Cn1c(NCCO)nc2ccccc21)NC(c1ccccc1)c1ccccc1 5185200 RONYQYFMPTWPSO-UHFFFAOYSA-N 400.482 3.346 0 40 HGAB COC(=O)c1ccc(S(=O)(=O)N2CCC(c3nc4ccc(C)cc4[nH]3)CC2)cc1 5626074 NJFARCSODXHDQR-UHFFFAOYSA-N 413.499 3.226 0 40 HGAB CC(C)C[C@@H](C(=O)N1CCN(c2ccccc2)CC1)N1C(=O)c2ccccc2C1=O 6509250 PEVMZRAAOFZYBQ-NRFANRHFSA-N 405.498 3.046 0 40 HGAB Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(C(=O)c3ccc(F)cc3F)CC2)c1C 6788278 UQNOTGXYVSWPEY-UHFFFAOYSA-N 422.497 3.345 0 40 HGAB COCCN1C(=O)S/C(=C/c2ccc(OCc3ccncc3)c(OC)c2)C1=O 6950920 KREZJYQSEOIJSH-LDADJPATSA-N 400.456 3.352 0 40 HGAB COc1cccc(-c2nnn(CC(=O)N(Cc3ccccc3)Cc3ccco3)n2)c1 7022180 NNRNGIPGLGKPFR-UHFFFAOYSA-N 403.442 3.171 0 40 HGAB O=C(c1cccnc1)N1CCN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1 8164304 WHOIIYIPEKHTDB-UHFFFAOYSA-N 413.543 3.276 0 40 HGAB O=C(Oc1ccc(Cl)cc1)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 8428955 KASKVLMPLLHHJD-UHFFFAOYSA-N 404.875 3.107 0 40 HGAB O=S1(=O)CC[C@H](NCc2cc(Br)ccc2OCc2ccccc2)C1 9389496 KKCYVUTUHCAFFA-KRWDZBQOSA-N 410.333 3.305 0 40 HGAB CCOC(=O)C1=C(C)Oc2ncn3nc(-c4ccccc4O)nc3c2[C@H]1c1ccco1 9429485 QRPDRZQNNCNGSU-KRWDZBQOSA-N 418.409 3.451 0 40 HGAB CCOC(=O)c1ccc(C)c(NC(=O)CN(c2cc(C)cc(C)c2)S(C)(=O)=O)c1 10444647 QTYWVWAUEBKCPV-UHFFFAOYSA-N 418.515 3.193 0 40 HGAB O=C(CCn1nnc2ccccc21)N1CCC[C@H](c2ncncc2-c2ccncc2)C1 12088537 RWOZXZVPLNICPX-SFHVURJKSA-N 413.485 3.080 0 40 HGAB Cc1cc(C)n2nc(CC(=O)N3CCC[C@H]3c3nc4cc(C)c(C)cc4[nH]3)nc2n1 12157503 NTWCJFUJAVQGAO-SFHVURJKSA-N 403.490 3.140 0 40 HGAB CCSc1nnc(NC(=O)c2cc(=O)c(OCc3ccc(F)cc3)cn2C)s1 12167004 LOQFTXOPDMDQJF-UHFFFAOYSA-N 420.491 3.319 0 40 HGAB COc1ncccc1[C@@H](Cc1ccsc1)NC(=O)c1nn(C)cc1-c1ccno1 12228959 AEYQBUCHRDKOSD-MRXNPFEDSA-N 409.471 3.254 0 40 HGAB COc1cc2cc(N)c(C3CCN(C(=O)CN4CCCCC4)CC3)nc2cc1OC 12230879 SBQKEOGPLQSZEG-UHFFFAOYSA-N 412.534 3.026 0 40 HGAB Cc1ccccc1Nc1nc(N)nc(CSc2nc(C)c(C)c(C)c2C(N)=O)n1 12558139 CDAADUDTDMNHEM-UHFFFAOYSA-N 409.519 3.217 0 40 HGAB Cc1nonc1CC(=O)N1CC[C@H](c2cc3nc(C(C)C)cc(C(F)(F)F)n3n2)C1 12748218 MDWBGJGYIPRDIZ-LBPRGKRZSA-N 422.411 3.122 0 40 HGAB COc1ccc([C@H]2CCCCCN2S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1 12759563 VOYHUOHEWFZHIQ-LJQANCHMSA-N 401.488 3.171 0 40 HGAB CN(Cc1cnn(-c2ccccc2)c1)C(=O)CCCc1nc2ccccc2c(=O)[nH]1 12907314 LGDAOOHGIGTLLK-UHFFFAOYSA-N 401.470 3.090 0 40 HGAB CC(C)OCCCNC(=S)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 13555939 CJQCVIUIFHQQDU-UHFFFAOYSA-N 406.548 3.042 0 40 HGAB CCCCn1c(-c2ccc(Cl)cc2Cl)cn2c3c(=O)n(C)c(=O)n(C)c3nc12 13768670 UHXARBHBNKWTIQ-UHFFFAOYSA-N 420.300 3.460 0 40 HGAB Cc1nn(Cc2ccc(F)cc2Cl)c(C)c1N1C(=O)[C@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C1=O 13960205 MNNBMQCYKDQJSJ-YVSFHVDLSA-N 403.841 3.008 0 40 HGAB CC1CCC2(CC1)NC(=O)N(CN1CCC[C@H]1c1ccc3c(c1)OCCCO3)C2=O 14248625 XWSGCLRPUYWEKG-HRZDDSQGSA-N 413.518 3.443 0 40 HGAB CC(C)OC(=O)C[C@H](NC(=O)c1cccc(CS(C)(=O)=O)c1)c1ccccc1 16140108 XKEBNCGTHSIXPK-IBGZPJMESA-N 403.500 3.044 0 40 HGAB COc1ccc2c(c1)OC1(CCN(C(=O)[C@@H](C)n3nnc4ccccc43)CC1)CC2=O 19078134 IVISTCCVOWPWCV-OAHLLOKOSA-N 420.469 3.028 0 40 HGAB Cc1c(C)n(C)c2ccc(C(=O)N3CCO[C@@H](c4nc(-c5ccncc5)no4)C3)cc12 19554619 FEIYLRFJELFFGS-HXUWFJFHSA-N 417.469 3.454 0 40 HGAB Cc1cc(-c2cnn(C)c2)cc(C2CCN(C(=O)COC[C@H]3CCCCO3)CC2)n1 19692105 MKAGWJRASRQULD-OAQYLSRUSA-N 412.534 3.082 0 40 HGAB COc1ccc(N2C[C@H](NC(=O)c3cc4cccc(OC)c4nc3C)CC2=O)cc1 19714393 NUHDBQDYNHXSJJ-MRXNPFEDSA-N 405.454 3.096 0 40 HGAB COc1ccc(C)cc1N1C[C@@H](C(=O)NCCc2nc(C(C)(C)C)cs2)CC1=O 19715272 PMJLJRIDQURIIT-HNNXBMFYSA-N 415.559 3.469 0 40 HGAB Cc1nn(Cc2ccccc2)c(C)c1CN1CCC(c2ccc(C(N)=O)c(N)n2)CC1 19765757 LROJTSOXIOFWNJ-UHFFFAOYSA-N 418.545 3.004 0 40 HGAB COc1ccc([C@H](C)NC(=O)CCc2ccc(S(=O)(=O)NC(C)C)cc2)cc1 20023601 WHZTVNFRHMWIMB-INIZCTEOSA-N 404.532 3.192 0 40 HGAB COc1c(Cl)cc(C(=O)O)cc1NC(=S)NC(=O)c1cccc(C)c1OC 20153374 BXMWAKVZPOOCOB-UHFFFAOYSA-N 408.863 3.491 0 40 HGAB CCc1noc(C)c1C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N(C)C 20672827 WQSCYJJSTFUJIJ-UHFFFAOYSA-N 420.535 3.038 0 40 HGAB Cc1noc(C)c1S(=O)(=O)NCCC(=O)Nc1ccc2c(c1)Cc1ccccc1-2 20929260 GPWXJPKUIKGUHN-UHFFFAOYSA-N 411.483 3.170 0 40 HGAB O=C(Nc1ccc(F)cc1F)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1 24612899 UVNAOWSHLKMSMC-UHFFFAOYSA-N 412.433 3.284 0 40 HGAB CN(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O 24665778 ZOZAUBJXYQQARM-UHFFFAOYSA-N 401.315 3.418 0 40 HGAB Cc1ccc(-c2noc([C@@H](C)N3CCN([C@@H](C)C(=O)Nc4cc(C)no4)CC3)n2)cc1 26601180 LNRPYPOJAYMYJM-DLBZAZTESA-N 424.505 3.047 0 40 HGAB CCCc1nn(CC(=O)Nc2ccc(OC)cc2OC)c(=S)n1-n1cccc1 28527908 VWTABKQSCVIKES-UHFFFAOYSA-N 401.492 3.135 0 40 HGAB Cc1ccc(NC(=O)c2sc(Cc3ccccc3)nc2C)cc1S(N)(=O)=O 32703444 GEIQFYAAPWAFIW-UHFFFAOYSA-N 401.513 3.250 0 40 HGAB COc1ccc([C@@H]2CCCN2C(=O)c2ccc(C)c(NS(C)(=O)=O)c2)cc1OC 32760285 JJQWHQMUWUFOFN-SFHVURJKSA-N 418.515 3.361 0 40 HGAB CCCN(CC1CC1)S(=O)(=O)Oc1cccc(C(=O)NCc2ccccc2)c1 32770601 VDDLMMYFKUHKJJ-UHFFFAOYSA-N 402.516 3.362 0 40 HGAB Cn1c(Cc2csc(NC(=O)[C@@H]3Cc4cc(Cl)ccc4O3)n2)n[nH]c1=S 32787104 BNWCCDZAVWMOAW-LBPRGKRZSA-N 407.908 3.121 0 40 HGAB O=C(CN1CCN(Cc2ccco2)CC1)Nc1c(F)cc(F)cc1Br 32858040 NTKZOSVAIBRFJE-UHFFFAOYSA-N 414.250 3.077 0 40 HGAB CCN(Cc1ccc2c(c1)OCO2)C(=O)CSc1nncn1-c1ccc(C)cc1 32907924 NFOKXIWAHIMXJH-UHFFFAOYSA-N 410.499 3.445 0 40 HGAB CSc1ncc(Cl)c(C(=O)N2CCC(NC(=O)CCc3ccccc3)CC2)n1 32924955 VTJXDRVRJRBUPC-UHFFFAOYSA-N 418.950 3.206 0 40 HGAB Cc1ccc(-c2cc(C(=O)N3CCC(C)CC3)nn2[C@@H]2CCS(=O)(=O)C2)cc1C 33325683 DVOCMFFRXWZJFR-LJQANCHMSA-N 415.559 3.399 0 40 HGAB COc1ccc(C)cc1S(=O)(=O)N1CCC(C(=O)Nc2c(F)cccc2F)CC1 35362081 JBWCUFAIIFUVJF-UHFFFAOYSA-N 424.469 3.321 0 40 HGAB COC(=O)c1ccc(Cl)c(NC(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)c1 36708964 YBQUFSLWEQDEKJ-QGZVFWFLSA-N 402.834 3.496 0 40 HGAB Cc1nn2c(nnc3c(=O)n([C@@H](C(=O)O)C(C)C)ccc32)c1-c1ccc(Cl)cc1 40396004 AKFKEYVWGIDZAM-QGZVFWFLSA-N 411.849 3.350 0 40 HGAB Cc1ccc(NC(=O)Cn2cnc3nc(N4CCCCC4)sc3c2=O)cc1Cl 45970221 YWYXJDHFAMGTQW-UHFFFAOYSA-N 417.922 3.444 0 40 HGAB Cc1ccc(C)c(N2CCN([C@@H](CC(C)C)c3nnnn3C[C@@H]3CCCO3)CC2)c1 57670500 NEQLBBBDOZNFGI-UNMCSNQZSA-N 412.582 3.378 0 40 HGAB CN1C(=O)[C@@]2(Nc3ccccc3C(=O)N2c2ccc3c(c2)OCCO3)c2ccccc21 58185336 LTWXXPQDFSIDQE-XMMPIXPASA-N 413.433 3.360 0 40 HGAB COc1cc([C@@H]2CC(=O)N(c3ccccc3)c3c2sc(=O)n3C)cc2c1OCO2 66089682 REVZSRBEGFVOMJ-AWEZNQCLSA-N 410.451 3.384 0 40 HGAB C[C@H](c1cccnc1)N(C)C(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 72045627 DQXGAGQFPMUGRL-QGZVFWFLSA-N 409.511 3.393 0 40 HGAB CN(CC[C@@H]1CCCCN1C)CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1 72305207 YVNSUGAXMHFDBV-INIZCTEOSA-N 424.471 3.031 0 40 HGAB O=C(Nc1ccc(NC(=O)[C@H]2CCCO2)cc1)c1cccc(OCC(F)(F)F)n1 89794144 HCXQKLMARKBURY-OAHLLOKOSA-N 409.364 3.393 0 40 HGAB Cc1nn(-c2ccc(C(=O)N[C@@H]3CCCc4c3cnn4C)cc2)c(C)c1CCC(=O)O 95424310 ZQYMMJLCEDJRHA-HXUWFJFHSA-N 421.501 3.047 0 40 HGAB Fc1cccc(F)c1C1=NO[C@H](CN2CCN(c3ncnc4ccsc34)CC2)C1 95456076 QIHBBUCZEQERLG-ZDUSSCGKSA-N 415.469 3.285 0 40 HGAB CC1(C)[C@H]2OCC[C@@H]2[C@H]1NC(=O)Nc1cccc(S(=O)(=O)Nc2ccccc2)c1 95996438 AQOZCTAHLRLDQE-QRVBRYPASA-N 415.515 3.422 0 40 HGAB NC(=O)c1c(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)sc2c1CCc1ccccc1-2 102334731 UCSAXWWURHOFEE-RKLWJJNISA-N 408.479 3.074 0 40 HGAB Cc1c(Cl)ccc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2[C@@H]2CCCN21 106535549 OIQLTZDNZIKXLG-ORQYLMBXSA-N 421.884 3.080 0 40 HGAB COC(=O)[C@H]1CC[C@@]2(O)[C@@H]3CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC(=O)[C@]12C 118923317 HPLLIRHYKNUAJM-MHEUMVOXSA-N 406.519 3.044 0 40 HGAB COc1cc(CN2Cc3ccccc3C[C@@H]2C(=O)NCCCOC(C)C)ccc1O 199407362 QDYOVYNSRBWLFB-OAQYLSRUSA-N 412.530 3.259 0 40 HGAB C[C@H](Nc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1C(=O)O)c1ccccc1 217632817 LKFHLJOOMPWPDT-GOEBONIOSA-N 404.488 3.015 0 40 HGAB COc1ccc(OC)c(N([C@H](C)C(=O)Nc2ccc(C)cc2C)S(C)(=O)=O)c1 220205613 QPBASSRRCGALTR-OAHLLOKOSA-N 406.504 3.114 0 40 HGAB CS(=O)(=O)N1CCCc2cc(C(=O)Nc3cc(-c4cccc(F)c4)[nH]n3)ccc21 223066390 GZLUAXAOGTZCEX-UHFFFAOYSA-N 414.462 3.180 0 40 HGAB Cn1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c1 223954013 KLHXSDOBWRELEC-YADHBBJMSA-N 419.554 3.434 0 40 HGAB CC(C)(C)C(=O)Nc1nnc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)s1 225772964 NGRSZEGEUBMQNZ-UHFFFAOYSA-N 408.427 3.342 0 40 HGAB CO[C@@H]1CCC[C@H](C(=O)N2CCC[C@H]2c2n[nH]cc2-c2ccnc(N3CCCC3)n2)C1 248125815 HHHITXXSELALQV-QKLQHJQFSA-N 424.549 3.336 0 40 HGAB CC1(C(=O)N2CCC[C@@H](Cc3cc[nH]n3)C2)CCN(C(=O)CCc2ccccc2)CC1 257247800 JAOGQJUMMWLAFH-NRFANRHFSA-N 422.573 3.452 0 40 HGAB CC(C)N1CC2(CCN(Cc3ccccn3)CC2)COc2ccccc2S1(=O)=O 306131856 KRBKIGGOBNHUSE-UHFFFAOYSA-N 415.559 3.156 0 40 HGAB CS(=O)(=O)N(CC(=O)NCCSc1ccccc1)c1ccc(F)c(Cl)c1 408548144 PSDXJMCRCSYNJF-UHFFFAOYSA-N 416.927 3.154 0 40 HGAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccccc2SC)cc1Cl 408556453 CSBZRIIQCMUGCB-LLVKDONJSA-N 414.936 3.376 0 40 HGAB COC(=O)COc1ccc(S(=O)(=O)N[C@H](C)CCc2ccccc2)cc1Cl 408582902 FTUYMRNZGLMRRJ-CQSZACIVSA-N 411.907 3.191 0 40 HGAB CCOC(=O)C1=C(C)N(N)C(=O)N[C@@H]1c1ccc(OCc2ccccc2)c(OC)c1 408731536 NMITYAGACHJJML-HXUWFJFHSA-N 411.458 3.051 0 40 HGAB COc1cccc(C[C@@H]2CCCN2C(=O)Nc2ccc(N3CCOCC3)nc2C)c1 532722259 HDPNPOVQJODAIP-IBGZPJMESA-N 410.518 3.474 0 40 HGAB CN(C)[C@H](CNS(=O)(=O)c1ccc2c(c1)CCO2)c1csc2ccccc12 575618635 AJSMVFBKVHEWBC-GOSISDBHSA-N 402.541 3.417 0 40 HGAB CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccc(Br)c2)n2nnnc2N1 703584 CMKFUFGFPIHKBQ-INIZCTEOSA-N 411.263 3.363 0 40 HGAB COc1ccc(-c2cc(C(F)(F)F)nc(SCC(=O)N3CCOCC3)n2)cc1 890666 GMHJTMKPFJESPU-UHFFFAOYSA-N 413.421 3.122 0 40 HGAB Cc1nc(N)n2c(SCC(=O)Nc3ccccc3)nnc2c1Cc1ccccc1 1331336 DLGDYMYFLBGGRC-UHFFFAOYSA-N 404.499 3.337 0 40 HGAB O=C(COC(=O)c1ccccc1NC(=O)c1ccco1)Nc1ccc2c(c1)OCO2 3240280 ORVXHHYAJHYMCH-UHFFFAOYSA-N 408.366 3.056 0 40 HGAB Cc1c(CC(=O)NCCCn2ccnc2)c(=O)oc2cc3c(cc12)CCC(C)(C)O3 3985199 DXPOVDRUAMLMMT-UHFFFAOYSA-N 409.486 3.151 0 40 HGAB biogenic O=C(CSC1=NS(=O)(=O)c2cc(F)ccc2N1)N1CCCc2ccccc21 4853602 YJESOCMAPVDLRH-UHFFFAOYSA-N 405.476 3.009 0 40 HGAB C[C@H](C(=O)N[C@H](C(=O)NC1CCCCC1)c1ccc(F)cc1)n1nc2ccccc2n1 4966813 YFSOGJAWEFJJBH-VFNWGFHPSA-N 423.492 3.438 0 40 HGAB CCN(CC)S(=O)(=O)c1cc(C(=O)NCCc2ccc(Cl)cc2)ccc1F 4979989 HJHFVPXQAASZQJ-UHFFFAOYSA-N 412.914 3.482 0 40 HGAB CCCNC(=O)CSc1nnc([C@H](C)N2CCCCC2)n1-c1ccc(OC)cc1 5084823 VZWYQBIUECXXCG-INIZCTEOSA-N 417.579 3.441 0 40 HGAB Cn1c(S[C@H](C(=O)N2CCOCC2)c2ccccc2)nnc1-c1ccccc1F 5472104 WUWMGKUXCNRMCY-SFHVURJKSA-N 412.490 3.313 0 40 HGAB Cc1ccc(CC(=O)OCc2cc(=O)n3cc(Br)ccc3n2)cc1C 6165005 HCGCOXIRVVWHHQ-UHFFFAOYSA-N 401.260 3.360 0 40 HGAB Cc1ccc(NC(=O)CN(C)C(=O)Cn2c(C(F)(F)F)nc3ccccc32)cc1 7775183 POJOHHPDPJXQCQ-UHFFFAOYSA-N 404.392 3.461 0 40 HGAB O=C(CSc1nnnn1-c1ccccc1)N1CCS[C@@H]1c1ccccc1F 8141945 WGZFIJPEJZAURM-QGZVFWFLSA-N 401.492 3.168 0 40 HGAB C[C@H](NC(=O)CSc1nnnn1C[C@H]1CCCO1)c1ccc(-c2ccccc2)cc1 8157410 HMTODGFCZIPKEU-OXJNMPFZSA-N 423.542 3.489 0 40 HGAB C[C@H]1CCc2c(C(=O)OCC(=O)N(C)CC(=O)Nc3ccc(F)cc3)csc2C1 8669484 RSQWRAHZWDBFFY-ZDUSSCGKSA-N 418.490 3.266 0 40 HGAB CN(CC(=O)Nc1ccccc1Cl)C(=O)CSc1nc2ccccc2n1C 8707365 CPGVIMSBYSVQQG-UHFFFAOYSA-N 402.907 3.416 0 40 HGAB Cc1cccc(NC(=O)CNC(=O)CSc2nc3ncc(Cl)cc3[nH]2)c1C 8725490 ZJMWLKCOWJQNFP-UHFFFAOYSA-N 403.895 3.075 0 40 HGAB CC[C@@H](C)Cc1c(C)sc2nc(SCc3nc(N)nc(N(C)C)n3)[nH]c(=O)c12 8941879 MKEWZFIKZGYOJP-SECBINFHSA-N 419.580 3.007 0 40 HGAB CN(CC(=O)Nc1ccc(OC(F)(F)F)cc1)C(=O)c1cncn1-c1ccccc1 9350372 YFGLLGRZVLIQKD-UHFFFAOYSA-N 418.375 3.482 0 40 HGAB O=C(Nc1ccccc1C(=O)OCc1nnnn1-c1ccccc1)c1ccsc1 10709164 MRHXTNBXJSKRHZ-UHFFFAOYSA-N 405.439 3.333 0 40 HGAB O=C(CN(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1)Nc1cc(Cl)ccc1Cl 10833777 SEFOHIVEKAUJFO-CYBMUJFWSA-N 417.314 3.214 0 40 HGAB CC1(C)O[C@H]2[C@H]3OC(C)(C)O[C@H]3[C@@H](C(=O)Nc3ccccc3C(F)(F)F)O[C@@H]2O1 11851674 GSQCRPFGOPNVJK-XSEXMBABSA-N 417.380 3.040 0 40 HGAB Cc1ccc(C)c2[nH]c(=O)c(CNc3ccc(N4CCC(C(N)=O)CC4)cc3)cc12 12088315 HLVFBSWKTCTZFS-UHFFFAOYSA-N 404.514 3.459 0 40 HGAB Cc1ccc(S(=O)(=O)Nc2ccccc2F)cc1C(=O)N1C[C@H](C)O[C@H](C)C1 12755181 LITPLVCDTIKKFZ-GASCZTMLSA-N 406.479 3.184 0 40 HGAB CCOC(=O)c1c(NC(=O)CSc2nnnn2C2CCCC2)sc(C)c1C 12789394 CAWMZHDNHVZUAU-UHFFFAOYSA-N 409.537 3.374 0 40 HGAB O=S(=O)(Nc1ccc(Nc2ccc(-n3cccn3)nn2)cc1)c1ccccc1F 13009990 PTCJXIJHNHAZQE-UHFFFAOYSA-N 410.434 3.346 0 40 HGAB Cc1cc(-c2snnc2[C@@H]2CCCN(C(=O)c3cc4nc(C)cc(C)n4n3)C2)on1 13225445 VWCOYMMFCLGJEH-CQSZACIVSA-N 423.502 3.181 0 40 HGAB Cc1ccc2c(c1)c(=O)cc(C(F)(F)F)n2C[C@@H](C)NC(=O)CCn1cccn1 13227539 QJOYMWJIABNFTG-CQSZACIVSA-N 406.408 3.120 0 40 HGAB O=C(c1ccccc1)c1cc(Br)ccc1NC(=O)c1nc[nH]c1C(=O)O 13677598 ZXRRAYIICGSFOX-UHFFFAOYSA-N 414.215 3.354 0 40 HGAB Cn1cccc1C[C@H]1[C@@H](O)c2ccccc2S(=O)(=O)N1CCCc1ccccc1 13680823 XILLMNSWSOWDAO-GMAHTHKFSA-N 410.539 3.307 0 40 HGAB COc1ccccc1/C=[N+]1\NC(=O)[C@H](NC(=O)c2ccccc2)[C@H]1c1ccc(C)cc1 13941608 JFHMWVJWVCOBJN-WFZBXURCSA-O 414.485 3.020 0 40 HGAB COc1ccc(NC(=O)c2ccc(OC)c(S(=O)(=O)N3CCCCC3)c2)cc1 14291823 HGEUYYXCTNJJGK-UHFFFAOYSA-N 404.488 3.131 0 40 HGAB COc1ccc(Br)c(C(=O)N2CCN(C)c3nc4ccccc4nc32)c1 14901093 JJAQQIHWSJLQAZ-UHFFFAOYSA-N 413.275 3.498 0 40 HGAB CC(C)(C)C(=O)[C@H]1[C@H]2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@H]2[C@@H]2C=CC=NN21 17838213 VGVXLUAWOCBZCS-YHUYYLMFSA-N 420.296 3.323 0 40 HGAB CCOCc1ccc(C(=O)N2C[C@H]3CCc4nnc(-c5ccncc5)n4[C@H]3C2)cc1 19531302 VNTZMKWDEMQWSB-UXHICEINSA-N 403.486 3.136 0 40 HGAB COc1ccc(NC(=O)c2cc(C3CCN(C4CCOCC4)CC3)no2)c(OC)c1 19552574 OUQHXLGOECVFND-UHFFFAOYSA-N 415.490 3.303 0 40 HGAB Cc1cc(C)n([C@H](C)CC(=O)N2CCN([C@H](c3ccccc3)c3nccn3C)CC2)n1 19572922 FTTYGMQIQRFWHG-NFBKMPQASA-N 420.561 3.118 0 40 HGAB Cc1nn(C)c(C)c1C[C@H](C)NC(=O)c1cc(-c2cnn(C)c2)nc2ccccc12 19716407 UEJZVYVUFBUHNE-AWEZNQCLSA-N 402.502 3.347 0 40 HGAB COc1ccc(C(=O)N2CCC[C@H](N(C)C(=O)c3nccc4ccccc34)CC2)cn1 19749900 YUEVGSYGPUXMAG-IBGZPJMESA-N 418.497 3.405 0 40 HGAB CNc1cc(CN(C)C(=O)c2c(-c3ccc(C)cc3)noc2C)nc([C@H]2CCCN2)n1 19760765 JZKAPTUUOPWIPF-GOSISDBHSA-N 420.517 3.487 0 40 HGAB CCOC(=O)c1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)N3CCCC3)c2)cc1 19935675 UAPWUEFBXOZETQ-UHFFFAOYSA-N 420.462 3.039 0 40 HGAB O=C(COc1ccccc1)NCCc1ccc(S(=O)(=O)NC2CCCCC2)cc1 22227071 IXBZJHJVPGUCLP-UHFFFAOYSA-N 416.543 3.035 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)COc2ccc(Cl)cc2)cc1 22227528 SWGOUKJZVMOSEN-UHFFFAOYSA-N 424.950 3.108 0 40 HGAB C[C@H]1C[C@H](C)CN(Cc2csc(NC(=O)CCNC(=O)c3ccccc3)n2)C1 22292763 JJTZYKKOBJZXOW-HOTGVXAUSA-N 400.548 3.380 0 40 HGAB COC(=O)c1ccc(Cn2nc(C3CC3)c3cnn(-c4ccccc4)c3c2=O)cc1 22767927 SHJKJQHECCTCIF-UHFFFAOYSA-N 400.438 3.295 0 40 HGAB O[C@H](COCCOc1ccc(Cl)cc1)CN1CCN(c2ccc(F)cc2)CC1 23224716 UVUNLILQKZSHRB-FQEVSTJZSA-N 408.901 3.058 0 40 HGAB CC[C@H](C)[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N[C@@H](C)CCCC(C)C 25345044 LNYSXUYADKBXPU-BXWFABGCSA-N 407.580 3.471 0 40 HGAB COc1cc(/C=C/C(=O)N2CCN(C(=O)CCC3CCCC3)CC2)cc(OC)c1 30393194 PFYMXCQLXBXFMG-CSKARUKUSA-N 400.519 3.358 0 40 HGAB Cc1cc(C)c(S(=O)(=O)Nc2ccccc2C(=O)O[C@@H]2C[C@H](C)OC2=O)c(C)c1 32879579 KZASZQMIJKSXFD-MAUKXSAKSA-N 417.483 3.273 0 40 HGAB NC(=O)N1CCC[C@H](C(=O)NCc2cn(Cc3ccccc3)nc2-c2ccccc2)C1 32893695 GAQCPYBCMSSHMC-FQEVSTJZSA-N 417.513 3.005 0 40 HGAB Cc1cc(C)n(CCCNC(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)n1 32999749 MKSHLZGAGGEZGG-GOSISDBHSA-N 402.926 3.212 0 40 HGAB Nc1c(C(=O)N2CC(=O)Nc3ccccc32)sc2nc3cc4c(cc3cc12)OCO4 35310930 KVMXFQXSBJRSBX-UHFFFAOYSA-N 418.434 3.359 0 40 HGAB CCN(Cc1ccc(OC)c(OC)c1)C(=O)CCn1c(C)nc2ccccc2c1=O 40071972 OUUYXGBVSFLJGZ-UHFFFAOYSA-N 409.486 3.161 0 40 HGAB CNC(=O)[C@@H]1CN(Cc2c(C)nn(Cc3ccccc3)c2Cl)c2ccccc2O1 52049093 ZHUGUPKEUCQEPA-FQEVSTJZSA-N 410.905 3.407 0 40 HGAB CCCN([C@@H](C)C(=O)Nc1ccccc1)S(=O)(=O)c1ccc(C(=O)OCC)cc1 58155156 CKWURYGQKZZIMH-INIZCTEOSA-N 418.515 3.291 0 40 HGAB O=S(=O)(N[C@@H]1Cc2ccccc2[C@H]1NCc1ccc2c(c1)OCO2)c1ccccc1 58166942 AMPRDAWANTZJSG-NFBKMPQASA-N 422.506 3.149 0 40 HGAB O=C1CN(CCC2=CCCCC2)[C@@H]2CS(=O)(=O)C[C@H]2N1c1cccc(Cl)c1 63376338 XLHJQCZCIDORPS-RTBURBONSA-N 408.951 3.045 0 40 HGAB CC(C)[C@H](CNC(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1)N(C)C 65538587 VGTBERZBTPZUQR-QAPCUYQASA-N 411.388 3.161 0 40 HGAB C[C@H]1CC=CC[C@H]1COC(=O)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1 71826315 UUNWPPXBDOEBAS-HOCLYGCPSA-N 412.939 3.281 0 40 HGAB Cc1cc(-c2cnc3cc(C)nn3c2[C@@H]2CCCN(C(=O)c3cccnc3)C2)on1 72342935 XNZWEGCPQAHXEQ-QGZVFWFLSA-N 402.458 3.416 0 40 HGAB CCN(CC)C(=O)CN1CCC[C@H]1c1nc(C)c2c(n1)N(CCC(C)C)C(=O)CC2 72371120 JMXBUJWLTKUDMY-IBGZPJMESA-N 415.582 3.116 0 40 HGAB O=S(=O)(c1ccc(F)cc1)N1CCCC[C@@H]1c1ccnc(Nc2ncccn2)n1 72377719 LROTWIKUUDBTGR-QGZVFWFLSA-N 414.466 3.065 0 40 HGAB Cc1nc2n(n1)CCC[C@@H]2NC(=O)CCCc1nc(-c2ccc(Cl)cc2)no1 79048983 ZNHCKSOSTHREAU-HNNXBMFYSA-N 400.870 3.264 0 40 HGAB CC(=O)c1ccc2c(c1)CCN(C(=O)CNC(=O)C13CC4CC(CC(C4)C1)C3)CC2 89331263 XAMHRAVJIOQJGV-UHFFFAOYSA-N 408.542 3.149 0 40 HGAB CC(=O)N1CCN(CC(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)CC1 89665736 RQLARWRJSOUBJC-UHFFFAOYSA-N 408.527 3.374 0 40 HGAB CN1C(=O)c2cc(NC(=O)COc3ccc4c(c3)OCO4)ccc2Oc2ncccc21 95475911 RNIBNLCIIKHYRC-UHFFFAOYSA-N 419.393 3.210 0 40 HGAB O=C(NC1CCN(c2cc(-c3ccc(F)cc3)n[nH]2)CC1)c1ccc2c(c1)OCO2 98212899 WTXDMEGVCOHMIW-UHFFFAOYSA-N 408.433 3.343 0 40 HGAB Cc1ccc(N2C(=O)C[C@@H](N3CCN(Cc4ccc(Cl)s4)CC3)C2=O)c(C)c1 101490528 GLIVECXQDOKBGN-GOSISDBHSA-N 417.962 3.468 0 40 HGAB COc1cccc(-c2nc(CC(=O)NC[C@H]3CC[C@H](C(=O)O)CC3)cs2)c1OC 101648742 YRDJRRYYYGBWBQ-OKILXGFUSA-N 418.515 3.377 0 40 HGAB COCCn1c(-c2ccc3c(c2)CC(=O)N3)cs/c1=N/c1ccc2c(c1)OCCO2 104738181 HTEVDQWTZCDCEI-GHVJWSGMSA-N 423.494 3.361 0 40 HGAB COc1cc(/C=c2/s/c(=C/C(=O)C(C)(C)C)[nH]c2=O)cc(Cl)c1OC(C)C 105741690 SLZLFVIHXQDUBR-SVGWRPMHSA-N 409.935 3.110 0 40 HGAB CC(=O)N[C@H](CCCCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 216162075 HPXGLFPXINBZFY-OAQYLSRUSA-N 410.470 3.285 0 40 HGAB CCOC[C@]1(N)[C@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccccc1 218220952 JWRTZKAFAOVYFU-SQNIBIBYSA-N 410.333 3.123 0 40 HGAB Cc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccccc3)[C@@]2(CN)NC(=O)OC(C)(C)C)cc1 218608949 TZNSCRNWRYDTDD-KNKQGSTJSA-N 416.543 3.157 0 40 HGAB Cc1cc(C)cc(OCCNC(=O)[C@@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)c1 224071634 LVRLORWAUBFDTL-MRXNPFEDSA-N 424.950 3.307 0 40 HGAB COc1ccc(CN(C(=O)COc2ccc(F)cc2)[C@H](C)C(=O)NCC(C)C)cc1 224481433 GSKFNCYOQNYRTA-QGZVFWFLSA-N 416.493 3.403 0 40 HGAB COc1ccc(C(=O)NCc2ccco2)cc1CN(C)S(=O)(=O)c1ccccc1 224766870 HKUKPRZASVAESW-UHFFFAOYSA-N 414.483 3.039 0 40 HGAB Cc1ccc2c(c1)[C@H](NC(=O)CN(C)S(=O)(=O)c1ccccc1)CC(C)(C)O2 225173657 QCLCAXASZOEUEU-GOSISDBHSA-N 402.516 3.034 0 40 HGAB CCSc1nnc(NC(=O)[C@H](C)N(c2cc(C)ccc2C)S(C)(=O)=O)s1 225300274 CWRBLLKZDQXSMB-LBPRGKRZSA-N 414.578 3.060 0 40 HGAB COc1ccc(-c2noc(CCC(=O)Nc3ccc4c(c3)OCCO4)n2)cc1OC 225826132 PHIJZQWWPUUBOB-UHFFFAOYSA-N 411.414 3.096 0 40 HGAB COc1cccc(NS(=O)(=O)c2ccc(OCC(=O)NCC(C)(C)C)cc2)c1 226085107 JRYWFNZALNUOQJ-UHFFFAOYSA-N 406.504 3.037 0 40 HGAB COc1ccc2c(c1)O[C@@]1(C[C@H]3CC[C@H]1C[C@H]3C(=O)NCc1ccc(F)cc1)NC2=O 247954728 NNELNDWZICFSLK-UKIBHBBISA-N 424.472 3.405 0 40 HGAB CCNC(=O)Cc1c(C)nc([C@H]2CCCN(C(=O)[C@@H](C)c3ccccc3)C2)nc1C 257205001 AXFFCIFKAKQYSD-JXFKEZNVSA-N 408.546 3.282 0 40 HGAB CCc1onc(C)c1-c1cccc([C@@H]2CN(C(=O)CN(C)C3CCCC3)CCO2)n1 257211367 BYPPROLALPACCR-NRFANRHFSA-N 412.534 3.382 0 40 HGAB CC(=O)N1[C@@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)N2C(=O)c1cnccn1 257218485 DDHVAVXKQNQQQY-QMDPOKHVSA-N 404.514 3.092 0 40 HGAB CCNC(=O)C1(Cc2cccc(-c3cncnc3)c2)CCN(C(=O)CC(C)C)CC1 257279256 OFTRDVWQVHBVTH-UHFFFAOYSA-N 408.546 3.477 0 40 HGAB NC(=O)C[C@H]1CN(C(=O)CCc2ccc(F)cc2)CC[C@@H]1Oc1ccc(F)cc1 257288689 PVEKPOIGLMCJKZ-JXFKEZNVSA-N 402.441 3.069 0 40 HGAB CCN1CCC(CC(=O)N2CCC[C@H](c3cccc(Nc4cnccn4)n3)C2)CC1 257295729 QZPYIPKBBYKKBM-IBGZPJMESA-N 408.550 3.443 0 40 HGAB COc1ncccc1CN1CCN(C)[C@@H](c2nnn3cc(-c4ccsc4)ccc23)C1 306140694 VBAGWVQTPOCFKT-HXUWFJFHSA-N 420.542 3.350 0 40 HGAB C[C@@H](Oc1ccccc1)C(=O)N1CC[C@H](c2ccccc2Cl)S(=O)(=O)CC1 575415084 ZNLIMVMJHJCAQY-DNVCBOLYSA-N 407.919 3.496 0 40 HGAB Cc1nn(C)c(C)c1/C=C/C(=O)N1CC[C@]2(CCCO2)[C@H](OCc2ccccc2)C1 585290309 QFWMSSZDESPGLW-XUXGMHMMSA-N 409.530 3.417 0 40 HGAB CCn1ccnc1CN1CCCN([C@H](C)C(=O)Nc2ccccc2C(F)(F)F)CC1 592188737 MCPBNLLFWPIFNQ-MRXNPFEDSA-N 423.483 3.457 0 40 HGAB CC(=O)N1CCc2ccc(S(=O)(=O)N3CCC[C@H]3Cc3ccc(F)cc3)cc21 604400183 WKOROGLWKYZDLP-IBGZPJMESA-N 402.491 3.131 0 40 HGAB O=C(COCc1ccccc1)N1CC[C@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@H]21 1889186724 QCODJPKCEOOQAV-FUHWJXTLSA-N 405.420 3.354 0 40 HGAB CSc1ncc(Br)c(N2CCC[C@H](N(C)C(=O)C(C)(C)C)C2)n1 2087137594 MHSGRNHXFUUROV-NSHDSACASA-N 401.374 3.434 0 40 HGAB CCC(=O)N1CCN(c2ccc(NC(=O)c3ccc(Br)o3)cc2)CC1 724977 QJBDKSNVJPPLMZ-UHFFFAOYSA-N 406.280 3.353 0 40 HGAB O=C(NCCN1C(=O)S/C(=C/c2ccc(F)cc2)C1=O)c1ccc(Cl)nc1 2657466 KXRGYUGOTPRTLV-NTEUORMPSA-N 405.838 3.340 0 40 HGAB O=C(O[C@H]1CCCCC1=O)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 3288599 HEYPVAQFSNXSED-NRFANRHFSA-N 413.495 3.497 0 40 HGAB NS(=O)(=O)c1ccc(NC(=O)CSc2nc(-c3ccccc3)cs2)cc1 3453946 MMZVCICXBMOYDZ-UHFFFAOYSA-N 405.526 3.188 0 40 HGAB COc1ccccc1-c1nnc(SCC(=O)N(Cc2ccccc2)C(C)C)n1N 3600344 WRSCNCXRNTWPQM-UHFFFAOYSA-N 411.531 3.197 0 40 HGAB CCN(CC)CCOC(=O)c1ccc(NC(=S)NC(=O)/C=C/c2ccco2)cc1 4117029 JMLLLESUVFUMJN-VAWYXSNFSA-N 415.515 3.305 0 40 HGAB CCOc1ccccc1N1C[C@H](C(=O)OCC(=O)Nc2ccccc2Cl)CC1=O 4512515 XRECHRNTONEULR-CQSZACIVSA-N 416.861 3.274 0 40 HGAB CC(C)c1ccc([C@@]2(C)NC(=O)N(CC(=O)NCCc3ccc(F)cc3)C2=O)cc1 5798044 SURUUSVMORGGAZ-HSZRJFAPSA-N 411.477 3.075 0 40 HGAB CC(C)COc1ccc(C(=O)NC(=S)Nc2sc3c(c2C(N)=O)CCC3)cc1 6262858 IWFDLQHQPHGQCC-UHFFFAOYSA-N 417.556 3.497 0 40 HGAB O=C(CCc1c[nH]c2ccccc12)OCC(=O)c1cc2c3c(c1)CC(=O)N3CCC2 6605939 UOGGFFAOCWKLDO-UHFFFAOYSA-N 402.450 3.362 0 40 HGAB COc1cccc(-n2c(=O)c3ccccc3n3c(SC[C@@H]4CCCO4)nnc23)c1 6978548 SNTNKEZFVDJNJZ-INIZCTEOSA-N 408.483 3.313 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)N(C)CCOc1ccccc1 7784167 PAWSEJSEMOSLCE-UHFFFAOYSA-N 416.543 3.321 0 40 HGAB COc1cccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3cccc4ccccc34)C2)c1 8037666 HMHLBOGAJNVFHB-QGZVFWFLSA-N 418.449 3.383 0 40 HGAB Cc1ccc(OCCNC(=O)c2ccc(S(=O)(=O)N3CCCC[C@@H]3C)cc2)cc1 8237657 DTHPJWDFZLANLI-SFHVURJKSA-N 416.543 3.367 0 40 HGAB CC(=O)Nc1cccc(NC(=O)COc2cccc3ccc(N4CCOCC4)nc23)c1 8769601 XVFKGVSQBYENHA-UHFFFAOYSA-N 420.469 3.047 0 40 HGAB CN1C(=O)NC(=O)/C(=C2\C[C@@H](c3ccc4c(c3)OCO4)Sc3ccccc3N2)C1=O 9130081 SXZUIBQBVDPHTE-XIDKLXSXSA-N 423.450 3.027 0 40 HGAB C[C@H](OC(=O)c1cc(-c2ccc(Br)cc2)[nH]n1)C(=O)NC1CCCC1 9367150 HUEZTLANNKAPIL-NSHDSACASA-N 406.280 3.443 0 40 HGAB C[C@]1(c2cc3ccccc3o2)NC(=O)N(CC(=O)N2CCCc3ccccc32)C1=O 9532569 QRHDIQWGINBKJD-HSZRJFAPSA-N 403.438 3.179 0 40 HGAB CCOc1ccc([C@@]2(C)NC(=O)N(CC(=O)c3cc(C)n(C4CC4)c3C)C2=O)cc1 9594184 HNXRYTVPTYBUEN-HSZRJFAPSA-N 409.486 3.488 0 40 HGAB CN(C)S(=O)(=O)c1ccc(C(=O)N(C(=O)N2CCCCC2)c2ccccc2)cc1 10254483 GQYKILCVZANYSL-UHFFFAOYSA-N 415.515 3.190 0 40 HGAB COc1ccc(S(=O)(=O)N2CC=C(c3c(OC)cc(OC)cc3OC)CC2)cc1 10672556 WPRKDGZLIZBOAT-UHFFFAOYSA-N 419.499 3.199 0 40 HGAB O=C(CCc1nc2ccccc2s1)Nc1ccc(N2CCCS2(=O)=O)cc1 12173389 VQUHXDNVNUKOEP-UHFFFAOYSA-N 401.513 3.408 0 40 HGAB Cc1ccc(-c2c(-c3cc(C)no3)cnn2CCNC(=O)CN2CCCCCC2)cn1 12223170 ULPCJGYQDKNFJV-UHFFFAOYSA-N 422.533 3.209 0 40 HGAB Cc1ncc(-c2ccncc2)c(-c2ccc(CNC(=O)c3ccn(C)c(=O)c3)cc2)n1 12256663 LSFZCYVSPLXWLR-UHFFFAOYSA-N 411.465 3.143 0 40 HGAB COc1cc(OC)c2cc(C(=O)N3CCC[C@H](c4nnc5ccccn45)C3)n(C)c2c1 12325000 MSSIDBJUZQVRJJ-HNNXBMFYSA-N 419.485 3.258 0 40 HGAB CCCOc1ccc(N2CCN(C(=O)COc3ccc4ccccc4c3)CC2)nn1 12444108 JDWHJRTVQNIZDJ-UHFFFAOYSA-N 406.486 3.146 0 40 HGAB O=C(O)c1cc(S(=O)(=O)Nc2ccccc2C(=O)N2CCCC2)ccc1Cl 12508029 VJUIDABBOZMORT-UHFFFAOYSA-N 408.863 3.075 0 40 HGAB CCCCn1c(SCC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)nc(C)c1C 12525160 MYVQTBNOCOWLPT-UHFFFAOYSA-N 424.592 3.281 0 40 HGAB COc1cc(OC)c(NC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)cc1Cl 12795120 WDSDTGNGVJWXNR-UHFFFAOYSA-N 424.906 3.322 0 40 HGAB CN(CC(=O)Nc1ccccc1Cl)C(=O)CCn1c(=O)oc2cc(Cl)ccc21 12821186 YHXBYXPHVAKSFQ-UHFFFAOYSA-N 422.268 3.389 0 40 HGAB COc1ccc(C(=O)N[C@@H](C)c2ccccc2Cl)cc1S(=O)(=O)NC1CC1 12878417 OMOXCCRULVUGGP-LBPRGKRZSA-N 408.907 3.280 0 40 HGAB CNC(=O)c1ccc(S(=O)(=O)N[C@@H](c2ccc(F)cc2)c2cccs2)cc1 12918642 YTMNLRTXKITLBK-SFHVURJKSA-N 404.488 3.315 0 40 HGAB CN(Cc1ccccc1)S(=O)(=O)N(CC(=O)Nc1ccccc1)Cc1ccco1 13004374 BIFLEPZWNXUZTI-UHFFFAOYSA-N 413.499 3.097 0 40 HGAB CC(=O)Nc1ccc(-c2csc(NC(=O)[C@H]3CS[C@@]4(C)CCC(=O)N34)n2)cc1 13012148 YABXWDYBOZWIQU-BEFAXECRSA-N 416.528 3.161 0 40 HGAB Cc1cnn(CC(=O)N2CCCC[C@H]2c2cc3nc(C)cc(C(F)(F)F)n3n2)c1 13225467 CLTJWKKYJSPWQF-HNNXBMFYSA-N 406.412 3.315 0 40 HGAB CSCC[C@H](NC(=O)C[C@H](NC(N)=O)c1cccs1)c1nc2ccccc2[nH]1 14072881 AKQUOFOQNCSZQY-GJZGRUSLSA-N 417.560 3.335 0 40 HGAB C[C@H]1Cc2ccccc2N1C(=O)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 16022731 FATVQRRSDOVVNO-AWEZNQCLSA-N 420.481 3.343 0 40 HGAB Cc1ccc(O[C@@H](C)C(=O)NCc2ccc(-c3ccnc4ncnn34)cc2)cc1C 19214237 ZZOFHNHQRLTKGL-KRWDZBQOSA-N 401.470 3.492 0 40 HGAB CCNC(=O)[C@@]1(Cc2ccc(-c3cccs3)cc2)CCN(C(=O)c2ccn(C)n2)C1 19529072 WRRNMBAEYGXNLV-HSZRJFAPSA-N 422.554 3.360 0 40 HGAB CN(C)C(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCCN(C(=O)[C@H]2CCCO2)C1 19578964 XVWCBXZUACRGBT-RDGATRHJSA-N 421.541 3.167 0 40 HGAB COc1ccc(CCC(=O)N(C)Cc2nc(C)c3c(n2)N(CC2CC2)C(=O)CC3)cc1 19698070 BEMYTTFZJOTHCV-UHFFFAOYSA-N 422.529 3.074 0 40 HGAB Cc1nc(CN(C)C(=O)C(C)C)nc2c1CCC(=O)N2CCc1c[nH]c2ccccc12 19698435 BUMMCZGSHDXIEV-UHFFFAOYSA-N 419.529 3.403 0 40 HGAB CCOC1CCN(C(=O)c2ccc([C@@H]3CCCN(Cc4ccccn4)C3)nc2)CC1 19706011 NPFYBJLGFBITDT-HXUWFJFHSA-N 408.546 3.497 0 40 HGAB Cc1nc2cc(NC(=O)[C@@H]3CCCN(CCC(N)=O)C3)ccc2n1C1CCCCC1 19717590 XHDJGOKZMBUDEI-QGZVFWFLSA-N 411.550 3.376 0 40 HGAB O=C(CC1CCN(C(=O)C2(c3ccccc3)CCCC2)CC1)N1CCN2CCC[C@@H]2C1 19748183 LIRXCXQHFVVVIR-HSZRJFAPSA-N 423.601 3.434 0 40 HGAB CCOc1ccc(CCCNC(=O)CN(c2ccc(C)cc2C)S(C)(=O)=O)cc1 22328347 OWYMBOWFBPCZGZ-UHFFFAOYSA-N 418.559 3.217 0 40 HGAB COc1cc2c(cc1OC)CN([C@@H]1CC(=O)N(c3ccccc3Cl)C1=O)CC2 22609270 OZZIOPVQXZCRGT-QGZVFWFLSA-N 400.862 3.047 0 40 HGAB CCc1ccc(-c2noc(CN3CCN(CC(=O)Nc4ccc(F)cc4)CC3)n2)cc1 22803607 AMTSBMBGEIKIMX-UHFFFAOYSA-N 423.492 3.194 0 40 HGAB COc1ccc(NC(=O)Cn2cccc(-c3nc(-c4ccccc4)no3)c2=O)cc1 23125696 QVOWGPMSEACNBW-UHFFFAOYSA-N 402.410 3.213 0 40 HGAB CCN(CC(=O)Nc1cccc(Br)c1)Cc1nc2ccccc2c(=O)[nH]1 25499314 JRBZPQRJESOFBL-UHFFFAOYSA-N 415.291 3.146 0 40 HGAB O=C(Nc1nc2c(s1)CCC2)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1 25769411 PVATXBGUDWHJLT-SNVBAGLBSA-N 406.305 3.386 0 40 HGAB NC(=O)c1cc(NC(=O)c2ccc(I)cc2)ccc1Cl 29017405 GKEVZYVSRZLHKT-UHFFFAOYSA-N 400.603 3.296 0 40 HGAB Cc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2)c(C)c1 30953055 YCLMWJZSUCMVLB-OAHLLOKOSA-N 400.862 3.492 0 40 HGAB COc1ccc(NC(=O)[C@@H]2CC(=O)Nc3c(C)c(-c4ccccc4)nn32)cc1OC 32104312 URQCKKLUDBEMQE-INIZCTEOSA-N 406.442 3.398 0 40 HGAB CCc1sc(NC(=O)CN2CCN(C(=O)c3ccco3)CC2)nc1-c1ccccc1 32117934 FNJZEWRCSXMVEJ-UHFFFAOYSA-N 424.526 3.362 0 40 HGAB O=C(OCc1csc(COc2ccc(F)cc2)n1)c1ccccc1-n1cnnn1 32776040 ZJKKSBRQSUXVMU-UHFFFAOYSA-N 411.418 3.194 0 40 HGAB COc1ccc([C@@H](NC(=O)NCc2cnn(-c3ccccc3)c2)c2nccn2C)cc1 32809220 BUKURZZVSZLSOL-OAQYLSRUSA-N 416.485 3.203 0 40 HGAB COC(=O)CN1C(=O)N/C(=C/c2cc(C)n(-c3ccc4ccccc4c3)c2C)C1=O 33687921 VKQVYKZQTUHYDK-UDWIEESQSA-N 403.438 3.313 0 40 HGAB COc1ccc(Cl)cc1-n1cnc2cc(C(=O)NCc3cccnc3)ccc2c1=O 36366163 KLRFQJCZWRKZSI-UHFFFAOYSA-N 420.856 3.373 0 40 HGAB Cc1cc(C(=O)CN(C)Cc2nc3ccccc3c(=O)[nH]2)c(C)n1Cc1ccco1 36447699 HUXYCDTVDYMGOQ-UHFFFAOYSA-N 404.470 3.297 0 40 HGAB Cn1c(-c2ccccc2)nn(CCNC(=O)Nc2ccccc2C(F)(F)F)c1=O 36708532 SREGKBRECXSUSZ-UHFFFAOYSA-N 405.380 3.089 0 40 HGAB O=C(CN1CCN(C(=O)c2ccc(Cl)cc2)CC1)Nc1nc2ccccc2s1 37104996 VUWCPKVMUDGKED-UHFFFAOYSA-N 414.918 3.346 0 40 HGAB O=C(c1cc(-c2cccs2)n[nH]1)N1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)CC1 38729715 FADNLASWJPWJBA-IAGOWNOFSA-N 424.501 3.365 0 40 HGAB CCCCc1ccc(NC(=O)CN(C)S(=O)(=O)c2cc(OC)ccc2OC)cc1 39985139 QVLURFKJHPUNJT-UHFFFAOYSA-N 420.531 3.306 0 40 HGAB CCNC(=O)C1CCN(C(=O)c2ccc(-c3ccc4c(c3)OCCO4)s2)CC1 47664899 XGRZOPCARIPQEB-UHFFFAOYSA-N 400.500 3.175 0 40 HGAB CCOc1ccccc1-n1ccn(Cc2nc(-c3ccc(C)c(C)c3)no2)c(=O)c1=O 49407783 GLDRDOPEXGGAPZ-UHFFFAOYSA-N 418.453 3.113 0 40 HGAB Cc1cc(=O)oc2cc(NC(=O)C3=NN(Cc4ccc(F)cc4)C(=O)CC3)ccc12 49833603 REUMCBVRSSUBOM-UHFFFAOYSA-N 407.401 3.358 0 40 HGAB CC[C@H]1CCCCN1C(=O)Cn1c(=O)n(-c2ccccc2F)c(=O)c2sccc21 57490394 LIJPAJYHFYIFHZ-AWEZNQCLSA-N 415.490 3.144 0 40 HGAB Cc1ccc(C)c(-n2c(=O)c3sccc3n(CC(=O)NC3CCCCC3)c2=O)c1 57492401 PAYMHYAAXCTHHV-UHFFFAOYSA-N 411.527 3.280 0 40 HGAB Cc1cc(C)c2[nH]c(=O)c(CN(Cc3nnnn3C(C)(C)C)C[C@@H]3CCCO3)cc2c1 57607404 ISQLDRWBEIZCEQ-IBGZPJMESA-N 424.549 3.068 0 40 HGAB Cc1ccc(C(=O)c2ccccc2C(=O)NCCC(=O)NCc2ccncc2)cc1C 58328318 ZBIOUWUNHJQQTG-UHFFFAOYSA-N 415.493 3.366 0 40 HGAB CN1CCCN(c2ccc(CNC(=O)c3ccc(CN4CCCCC4)cc3)cn2)CC1 58393803 CWJYHKYBBJFDIA-UHFFFAOYSA-N 421.589 3.139 0 40 HGAB CCOc1ccc(N/C=C(\C(=O)OC)S(=O)(=O)c2ccc(OCC)cc2)cc1 67340343 MKFPFZWCFBFFDP-XMHGGMMESA-N 405.472 3.384 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2ccc(N3CCOCC3)nc2C)cc1 72219663 ASEHKPOOVFRBSA-OAQYLSRUSA-N 415.559 3.451 0 40 HGAB O=S(=O)(c1ccccc1F)N1CCCN(Cc2cn3cc(Cl)ccc3n2)CC1 72280418 JADICMNCBJOGGW-UHFFFAOYSA-N 422.913 3.023 0 40 HGAB O=C1N[C@]2(COC3(CCN(C(=O)C4CCCC4)CC3)C2)Nc2ccc(Cl)cc21 72325500 ZYWHRFYUYTYFKG-OAQYLSRUSA-N 403.910 3.163 0 40 HGAB O=C(CSCc1cc(=O)n2ccsc2n1)Nc1ccc(O)c(C(F)(F)F)c1 89769838 SURRIPMAGIGKGT-UHFFFAOYSA-N 415.418 3.352 0 40 HGAB CC(C)(C)NC(=O)N1CCC(CNC(=O)C[C@H](CC(=O)O)c2cccs2)CC1 90607337 DWDQAEBWWBCGNI-OAHLLOKOSA-N 409.552 3.033 0 40 HGAB CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)Nc2ccncc2Br)cc1 95441777 UJIKWSZKSPKNIG-NSHDSACASA-N 412.309 3.173 0 40 HGAB COC(=O)[C@H](C)Sc1ccccc1C(=O)NC1CCN(C(=O)NC(C)(C)C)CC1 95456489 FZRFVBYUUBOBMZ-AWEZNQCLSA-N 421.563 3.043 0 40 HGAB CC(C)(CC1CCOCC1)C(=O)N[C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 96002507 SUJQHZPGYDSDFF-GOSISDBHSA-N 400.498 3.358 0 40 HGAB CN1CC(=O)N(c2cccc(F)c2)C[C@@]12CCN(C(=O)Nc1ccc(Cl)cc1)C2 96050281 SUNDRPDKSVJVIX-NRFANRHFSA-N 416.884 3.434 0 40 HGAB CC1(C)[C@@H]2CC[C@]1(C)C(=O)N(CC(=O)N1CCC(Oc3ccc(F)cc3)CC1)C2=O 100773249 WQDUHFPSXQEOIQ-WZONZLPQSA-N 416.493 3.007 0 40 HGAB CCOc1ccc(N([C@H](CC)C(=O)Nc2ccc(OC)cc2)S(C)(=O)=O)cc1 220663985 PPJBOYYPFXXACC-LJQANCHMSA-N 406.504 3.277 0 40 HGAB O=C(Nc1cnc(N2CCN(c3ccccc3)CC2)nc1)Nc1ccc2c(c1)OCO2 224268479 QPTIXDLYCCBQOL-UHFFFAOYSA-N 418.457 3.176 0 40 HGAB COc1ccc(CCNS(=O)(=O)c2cc3c(cc2OC)CCCC3)cc1OC 224830058 RYIOSJXXZYYRBX-UHFFFAOYSA-N 405.516 3.112 0 40 HGAB COC(=O)c1cccc(S(=O)(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)c1 225177460 STOXCZUAPRESAM-UHFFFAOYSA-N 406.485 3.231 0 40 HGAB COc1ccccc1N1CCN(C[C@@H](O)CO[C@H]2C[C@H]3CC[C@@]2(C)C3(C)C)CC1 245108411 SWFMYEJWXJGCLJ-WDOIYZOTSA-N 402.579 3.410 0 40 HGAB COc1cc(-c2cc(-c3ccc(O)c(Br)c3)nn2CCO)ccc1O 257205108 AXRVHDHZURHIQO-UHFFFAOYSA-N 405.248 3.392 0 40 HGAB Cc1nc([C@@H]2CCCN(C(=O)CCc3ccccc3)C2)nc(C)c1CC(=O)NC1CC1 257270418 MUCXXLQUVQXCAX-HXUWFJFHSA-N 420.557 3.253 0 40 HGAB CC(C)NC(=O)c1cc([C@H]2CC[C@H](CNC(=O)CN(C)C)CC2)nc2ccccc12 257366953 RFXAWOPFNWRCLU-IYARVYRRSA-N 410.562 3.325 0 40 HGAB COc1ccc(C)cc1N([C@@H](C)C(=O)N[C@H](C)c1ccc(C)cc1)S(C)(=O)=O 260593214 YVSOAMKZBWBDRF-SJORKVTESA-N 404.532 3.344 0 40 HGAB Cc1ccccc1C(=O)N1Cc2cn(C(C)C)nc2C2(CCN(C(=O)N(C)C)CC2)C1 306140911 VGPMCXWRHJJKBG-UHFFFAOYSA-N 423.561 3.444 0 40 HGAB CCn1nc(C)c(S(=O)(=O)Nc2ccccc2-c2cn3c(n2)SCC3)c1C 390826802 BZGWXMDTNCUKRQ-UHFFFAOYSA-N 403.533 3.290 0 40 HGAB CS(=O)(=O)N1CCC[C@H](c2nnc3sc(/C=C/c4cccc(Cl)c4)nn23)C1 1501040060 ABXIXBIDTQKLLD-GWJCSSMESA-N 423.951 3.149 0 40 HGAB CC(=O)N1CC2=C(C1=O)[C@H](c1ccc3c(c1)OCCO3)c1c[nH]c3cccc(c13)N2 1547138489 MIPDVHJPKXMHSW-HXUWFJFHSA-N 401.422 3.139 0 40 HGAB biogenic O[C@H]1CCN(Cc2ccc(Cl)nc2)c2ccccc2OCCCCOC[C@H]1O 1615161898 XSELAEUSYFEURG-RBUKOAKNSA-N 406.910 3.043 0 40 HGAB Cc1ccc(CNC(=O)CN2CCC(Cn3c(C)nc4ccccc4c3=O)CC2)cc1 1849472394 UMJNOJHJFIUZLJ-UHFFFAOYSA-N 418.541 3.042 0 40 HGAB O=S(=O)(Nc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)c1ccccc1 794183 JQOSKDOHFLJOFL-UHFFFAOYSA-N 414.508 3.239 0 40 HGAB Cc1cc(C)nc(SCc2nnc(SCC(=O)N[C@H]3CCCC[C@H]3C)n2C)n1 883007 MRGFORVBXMKRCO-DOMZBBRYSA-N 420.608 3.301 0 40 HGAB CCOc1cc(NC(=O)c2cccs2)c(OCC)cc1NC(=O)/C=C/C(=O)O 1223668 ZJGDBYBKEHJOHV-BQYQJAHWSA-N 404.444 3.377 0 40 HGAB COc1cccc(C(=O)NCC(=O)O[C@H](C)C(=O)Nc2ccc3ccccc3c2)c1 2620338 VEKQRURFRMCUQG-OAHLLOKOSA-N 406.438 3.149 0 40 HGAB COc1ccc(S(=O)(=O)NCCc2sc(-c3cccnc3)nc2C)cc1C 4392366 BWCMLABWRYRRKZ-UHFFFAOYSA-N 403.529 3.352 0 40 HGAB CC1CCC(C(=O)N[C@H](C(=O)N2CCN(c3ccc(F)cc3)CC2)C(C)C)CC1 4747596 YLTJMWVFRKKVRE-NGICGMGXSA-N 403.542 3.441 0 40 HGAB CC(C)(C)NC(=O)[C@@H](c1ccccc1)N(Cc1cccnc1)C(=O)c1csnn1 4858873 DNCVSEVXWNQCNS-GOSISDBHSA-N 409.515 3.232 0 40 HGAB CCc1ccc(NC(=O)CSc2nc(=O)n(Cc3ccccn3)c3c2CCC3)cc1 5263874 QROUAQUCZSUWNK-UHFFFAOYSA-N 420.538 3.469 0 40 HGAB COCCCn1c(C(=O)N2C[C@@H](C)C[C@H](C)C2)cc2c(=O)n3cccc(C)c3nc21 5321395 WTBSKPDEJDSEPG-HOTGVXAUSA-N 410.518 3.112 0 40 HGAB CCc1ccc(N2C(=O)[C@H]3[C@@H](C(=O)c4ccc(C)cc4)N4CCC[C@@H]4[C@@H]3C2=O)cc1 5321578 ONUBWOOSJJPPIG-MBDNFAEBSA-N 402.494 3.393 0 40 HGAB CCc1ccc2c(COC(=O)[C@H]3CC(=O)N(CCc4ccccc4)C3)cc(=O)oc2c1 6084922 BSBMBGRAAPBTIU-IBGZPJMESA-N 419.477 3.490 0 40 HGAB O=C(COC(=O)/C=C/c1ccc2ccccc2n1)Nc1nnc(-c2ccccc2)o1 6120779 UPPOADWGEVHWSR-OUKQBFOZSA-N 400.394 3.480 0 40 HGAB O=C(CSc1nnc(NCc2ccco2)s1)Nc1ccc2c(c1)OCCO2 7161728 KFHBLIISUAPLRM-UHFFFAOYSA-N 404.473 3.245 0 40 HGAB O=C(CN1C(=O)c2ccccc2C1=O)OCC(=O)c1ccc2c(c1)-c1ccccc1C2 7736692 AOMZCXJCAUVUAY-UHFFFAOYSA-N 411.413 3.280 0 40 HGAB Cc1cccc(-n2ncc3c(O)nc(SCC(=O)NCc4cccs4)nc32)c1 7988246 CJISGIKCVYXKIB-UHFFFAOYSA-N 411.512 3.300 0 40 HGAB Cc1c(OCC(=O)NCCc2cnc[nH]2)ccc2c(-c3ccccc3)cc(=O)oc12 8765368 BVTHSJHTTLUREC-UHFFFAOYSA-N 403.438 3.229 0 40 HGAB biogenic COc1cc(NC(=O)NC[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)cc(OC)c1OC 9040462 NLYFBAUUFBEMGW-HNNXBMFYSA-N 413.474 3.195 0 40 HGAB Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@H]2CCCN21 9320382 GDODBXYULPSREU-CROMWVBPSA-N 421.884 3.080 0 40 HGAB COc1ccc(-n2ncc3c(O)nc(SCC(=O)OCc4ccccc4)nc32)cc1 9522022 WPWFDICFFFQXRO-UHFFFAOYSA-N 422.466 3.365 0 40 HGAB O=C(Nc1nnc(-c2cccs2)o1)[C@@H]1CCCCN1S(=O)(=O)c1cccs1 10785202 YWOAEHQCWWTQQZ-NSHDSACASA-N 424.529 3.042 0 40 HGAB COc1ccc2cc(C(=O)N[C@@H](CCSC)C(=O)Nc3nccs3)[nH]c2c1 12296977 WDLFXOTXPHEZRD-ZDUSSCGKSA-N 404.517 3.123 0 40 HGAB biogenic Cc1cccc2c(=O)n(CC(=O)N(C)Cc3nc4ccccc4n3C(F)F)cnc12 12525632 FHSKHDMKRHYXFO-UHFFFAOYSA-N 411.412 3.108 0 40 HGAB CCOc1ccc([C@H](CNC(=O)c2ccc(F)c(F)c2)N2CCOCC2)cc1OC 12798851 IRWFFBPWWQUILL-IBGZPJMESA-N 420.456 3.175 0 40 HGAB CCOC(=O)c1cc2cc(C(=O)N3CCN(CCOc4ccccc4)CC3)ccc2[nH]1 13006111 DWFKPRUKZJXHGT-UHFFFAOYSA-N 421.497 3.181 0 40 HGAB Cc1cccc(CNC(=O)CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)c1 13669723 BMQKOSDVFPQFAU-UHFFFAOYSA-N 401.315 3.384 0 40 HGAB COc1ccccc1C(=O)Nc1cc(-c2ccccc2)nn1[C@@H]1CCS(=O)(=O)C1 13690565 WIWXPXSUKAMUIL-MRXNPFEDSA-N 411.483 3.171 0 40 HGAB COc1ccccc1Oc1ccc(NC(=O)C2CCN(S(C)(=O)=O)CC2)cc1 14118471 BWXYXNRJKPVIFR-UHFFFAOYSA-N 404.488 3.098 0 40 HGAB Cc1c(Cl)cccc1NC(=O)CNC(=O)C[C@@H]1Sc2ccccc2NC1=O 14136134 YDNJFMRKCAIHIG-INIZCTEOSA-N 403.891 3.206 0 40 HGAB O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)s1)N[C@@H]1CCc2ccccc21 14201036 DXZOSGZRXURPJI-GOSISDBHSA-N 404.557 3.269 0 40 HGAB COc1cc(/C=c2\sc3nc(-c4ccco4)nn3c2=O)ccc1OCCC(C)C 16735396 WGRXOVXPTWHNEK-PDGQHHTCSA-N 411.483 3.392 0 40 HGAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(C)c3)c(=O)n2[C@@H]1c1cccs1 17094056 FZTWRHMZDUZTFG-XYSGSMRZSA-N 424.547 3.168 0 40 HGAB CC(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCN(C(=O)c4ccn(C)n4)C3)cc2N1 19451371 PMOLTFZIOKVMKP-DUVNUKRYSA-N 410.444 3.190 0 40 HGAB CNC(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)CN(Cc2cccc(F)c2)CCO1 19591907 BNVDRBYYVIPAFG-VWLOTQADSA-N 419.500 3.447 0 40 HGAB CCn1nc([C@@H](C)C(=O)N(C)Cc2nnc(-c3ccccc3)o2)c2ccccc2c1=O 19660554 HKCZTBRNLDJWIM-OAHLLOKOSA-N 417.469 3.229 0 40 HGAB CCOc1cc([C@@H]2[C@H]3CCCC[C@@]3(O)CCN2CC(=O)N2CCCCC2)ccc1O 20391401 NHZZGNAMAAEEJA-CTUHWIOQSA-N 416.562 3.472 0 40 HGAB Cc1c(C)c2ccc(OC[C@@H](O)CNCCc3c[nH]c4ccccc34)cc2oc1=O 20760919 PKEYNYJJDHITJX-SFHVURJKSA-N 406.482 3.463 0 40 HGAB biogenic CN(CCNC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1)c1ccccc1 22279235 WSEZYFSBNNVEJZ-UHFFFAOYSA-N 423.538 3.135 0 40 HGAB Cc1ccc(CN(CCc2ccccc2)C(=O)C2CCN(S(C)(=O)=O)CC2)s1 22311043 FWPIGIHLCKUVQQ-UHFFFAOYSA-N 420.600 3.299 0 40 HGAB CN1CCN([C@H](CNC(=O)Nc2ccc(Cl)cc2)c2ccc3c(c2)OCO3)CC1 22577229 UAEOGHCOSFQSMR-GOSISDBHSA-N 416.909 3.179 0 40 HGAB O=C(NCC1CCN(C2CCCC2)CC1)C(=O)Nc1ccc(OC(F)(F)F)cc1 23127393 UZRWIOLGUGRCLC-UHFFFAOYSA-N 413.440 3.295 0 40 HGAB COc1ccc([C@@H](CNC(=O)c2ccc(SC)cc2OC)N2CCOCC2)cc1 24527420 UQYIBGIVDVQQPZ-HXUWFJFHSA-N 416.543 3.229 0 40 HGAB CCOC(=O)c1ccsc1NC(=O)CN1CCC(C(=O)c2ccccc2)CC1 24864778 AZZWWJFEXQUMQQ-UHFFFAOYSA-N 400.500 3.458 0 40 HGAB O=C(NCCNc1ncc(C(F)(F)F)cc1Cl)c1cc2ccccc2c(=O)[nH]1 25829008 KDAKSRHSGDHDHN-UHFFFAOYSA-N 410.783 3.437 0 40 HGAB CS(=O)(=O)Cc1cccc(C(=O)NC[C@H](c2ccccc2Cl)N2CCCC2)c1 27344594 VOFHURDHUUJSLV-HXUWFJFHSA-N 420.962 3.452 0 40 HGAB O=C1C[C@H]2CS(=O)(=O)C[C@H]2N1c1nc2ccc(Oc3ccccc3)cc2s1 32912454 YGJMNRWXEAWKFR-BLLLJJGKSA-N 400.481 3.239 0 40 HGAB CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C(=O)Nc2ccccc2)c2ccccc2)cc1 32932928 NVSHICWXNXZWQX-OAQYLSRUSA-N 423.494 3.303 0 40 HGAB O=C1CSc2sc3c(=O)n(C[C@@H](c4cccs4)N4CCCC4)cnc3c2N1 35671683 DTENPQCTFQWBDH-NSHDSACASA-N 418.569 3.401 0 40 HGAB CC(=O)Nc1cc(NC(C)=O)cc(C(=O)NCCCCN2C[C@H](C)C[C@@H](C)C2)c1 40146747 SLNKXYIYIKMHSW-HZPDHXFCSA-N 402.539 3.091 0 40 HGAB COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)c1ccc(OC(C)C)cc1 44946323 KBWCMCYRKOGKRS-UHFFFAOYSA-N 406.504 3.421 0 40 HGAB O=C(Nc1ccc2oc(=O)[nH]c2c1)[C@H]1CCCN(c2ncccc2C(F)(F)F)C1 47079401 KLMDMNLYRSNOQG-NSHDSACASA-N 406.364 3.390 0 40 HGAB C[C@@H]1C[C@@H](C)CN(C(C)(C)CNC(=O)NCc2ccccc2CN2CCOCC2)C1 54726419 CNYNTZYEPJFPBS-WOJBJXKFSA-N 416.610 3.075 0 40 HGAB CCc1cccc(NC(=O)Cn2c(N3CCc4ccccc4C3)nc(C)cc2=O)c1 57506538 XKZUCQPARFJEPG-UHFFFAOYSA-N 402.498 3.316 0 40 HGAB Cc1cc(Br)c(O)c(C(=O)N2CCC(C(=O)N[C@H](C)C(C)C)CC2)c1 58421626 RPIIZDISRWZXGD-CYBMUJFWSA-N 411.340 3.476 0 40 HGAB CC(C)n1ncc2c1N=C(O)C[C@H]2c1ccc(-c2ccc(S(N)(=O)=O)cc2)o1 71279322 MTBLQOYIKPPKMT-CQSZACIVSA-N 400.460 3.495 0 40 HGAB COc1cc(/C=C/C(=O)OCC(=O)N[C@H]2CCc3ccccc32)cc(OC)c1OC 72330840 XDBIXNNMEIUFMQ-MZEUMTGBSA-N 411.454 3.073 0 40 HGAB COc1cc2c(cc1CN1CCC[C@@H]1c1cncc(Nc3cnccn3)n1)OCCO2 72376432 SNJCPVKJGPEDDN-QGZVFWFLSA-N 420.473 3.127 0 40 HGAB CCC(CC)C(=O)N1CCO[C@@](Cc2ccccc2-c2cccnc2)(C(=O)N(C)C)C1 72389026 RJWDDGQBBIIIIZ-RUZDIDTESA-N 423.557 3.413 0 40 HGAB COc1ccc(CC(=O)N2CCC[C@H](c3cc(C(F)F)n4ncnc4n3)C2)cc1C 72395387 PIHSXZGDOIUSPT-HNNXBMFYSA-N 415.444 3.328 0 40 HGAB Cc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)NC[C@@H](C)C[C@H](C)O)c2)c1 78869587 MADAOQCEZKWKJE-RDJZCZTQSA-N 404.532 3.241 0 40 HGAB CCN(CC)CCNC(=O)c1ccc(NC(=O)c2cc(OC)cs2)cc1OC 95430420 PZCSTVWYLKLVJQ-UHFFFAOYSA-N 405.520 3.089 0 40 HGAB C[C@@H](C(=O)NCCCc1nnc2ccccn12)c1ccc(C[C@@H]2CCCC2=O)cc1 95478584 XUGXHTRJONRJDG-XLIONFOSSA-N 404.514 3.494 0 40 HGAB C[C@@H]1[C@@H](C)N(S(=O)(=O)c2cnc(Cl)c(Cl)c2)CCN1C(=O)OC(C)(C)C 95988847 MFMGFFGFQJSVJL-GHMZBOCLSA-N 424.350 3.407 0 40 HGAB CN1CCOc2ccc(NC(=O)CCc3ccccc3Br)cc2C1=O 96103564 XMQABQVJZARKJI-UHFFFAOYSA-N 403.276 3.485 0 40 HGAB Cn1cc(-c2nc(C3CCN(C(=O)c4ccccc4)CC3)cc3c2ncn3C)cn1 96155617 HZOJCRIVBOQYND-UHFFFAOYSA-N 400.486 3.389 0 40 HGAB COc1ccc(-c2nc(NC(=O)CN3C(=O)[C@H]4CC=CC[C@@H]4C3=O)sc2C)cc1 102313717 YJIOWSXMNHPLSQ-HOTGVXAUSA-N 411.483 3.017 0 40 HGAB C[C@]1(CSc2ccccc2C(=O)N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)NC(=O)NC1=O 104119752 DEANHWUANRTGEH-HBBPJZECSA-N 415.559 3.466 0 40 HGAB CCOC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(NC(C)=O)cc1 113871686 MMCGVIMILWWMNK-UHFFFAOYSA-N 404.488 3.020 0 40 HGAB CS(=O)(=O)N(CC(=O)Nc1ccc(F)cc1F)c1ccc(C(F)(F)F)cc1 220044287 RUMFWXJZMASQRR-UHFFFAOYSA-N 408.348 3.388 0 40 HGAB Cc1ccc(N([C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)S(C)(=O)=O)cc1Cl 220358643 HOZHXEIMUMIQEN-LBPRGKRZSA-N 410.879 3.170 0 40 HGAB COc1ccc(Cl)cc1NC(=O)[C@@H](C)N(c1cccc(F)c1)S(C)(=O)=O 220469858 ZATALMYFTQZGCS-LLVKDONJSA-N 400.859 3.281 0 40 HGAB Cc1c(C(=O)N2CCN(c3cccc(Cl)c3)CC2)cccc1N(C)S(C)(=O)=O 222433160 CCKDQJWUTKQTRC-UHFFFAOYSA-N 421.950 3.007 0 40 HGAB CCOC(=O)c1ccc(C)c(NC(=O)c2ccc(N(C)S(C)(=O)=O)c(C)c2)c1 222480774 UISWKPBGLDACJR-UHFFFAOYSA-N 404.488 3.128 0 40 HGAB CCOc1ccccc1CCCNC(=O)c1ccc(N2CCCCS2(=O)=O)cc1 222586307 GCNMWDPKGJZQSV-UHFFFAOYSA-N 416.543 3.378 0 40 HGAB Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)n1-c1cccnc1 223261374 HXLZQIONRSLRHY-SFTDATJTSA-N 406.559 3.110 0 40 HGAB Cc1cccc(N(CCCC(=O)NCCCN2CCC(C)CC2)S(C)(=O)=O)c1C 223285792 HCTXRIBCKAPNFQ-UHFFFAOYSA-N 423.623 3.088 0 40 HGAB COC(=O)c1cccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCO)o2)c1 223601503 YTGDPDCRLVPKJO-UXHICEINSA-N 423.494 3.093 0 40 HGAB CCOc1cccc(N(CC(=O)NCc2cc(CC)ccc2CC)S(C)(=O)=O)c1 224305231 RFBYHDGMEKMUFF-UHFFFAOYSA-N 418.559 3.293 0 40 HGAB COC(=O)c1ccc(CS(=O)(=O)NCc2cccc(CN3CCCCC3)c2)cc1 224679558 DPKPMRWHZLECJG-UHFFFAOYSA-N 416.543 3.079 0 40 HGAB CCOC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(OC)c(F)c2)cc1Cl 225117564 IKSBFAMSYMDXRD-UHFFFAOYSA-N 401.843 3.490 0 40 HGAB COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2C)cc1 225220802 YHHGSCPVOQKFQA-NHCUHLMSSA-N 421.526 3.182 0 40 HGAB COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc[nH]2)cc1C 225260891 STFFNLZAOJHHJV-RTWAWAEBSA-N 421.526 3.480 0 40 HGAB CC[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)c1ccccc1 225535130 OTSUEDCYBLJJIH-XLIONFOSSA-N 404.507 3.494 0 40 HGAB CC(=O)Nc1ccc(NC(=O)Cn2ccc(=O)c3ccc(Br)cc32)cc1 225740829 KOOGIOFJCPVLNW-UHFFFAOYSA-N 414.259 3.361 0 40 HGAB CCCN1C(C)=NS(=O)(=O)c2cc(C(=O)N(C)c3ccc(OC)cc3)ccc21 225866243 YTYQPMRGRKMGPT-UHFFFAOYSA-N 401.488 3.309 0 40 HGAB CCOC(=O)c1ccc(NC(=O)c2ccc(Cl)c(N(C)S(C)(=O)=O)c2)cc1 225973931 HRQHSBYHCJJGND-UHFFFAOYSA-N 410.879 3.165 0 40 HGAB CC1(C(=O)N[C@H]2CCCN(c3ccccn3)C2)CCN(C(=O)c2ccccc2F)CC1 257343988 ZVGUMYYKUSBOSS-SFHVURJKSA-N 424.520 3.248 0 40 HGAB Cc1ccsc1C(=O)N1CCO[C@H](c2nnn3cc(-c4ccncc4)ccc23)C1 306127561 GBXYGTZEWGBESW-SFHVURJKSA-N 405.483 3.375 0 40 HGAB CC(C)n1cnc([C@@H]2CN(C(=O)c3ccc(F)cc3)C[C@@]23CCN(CC2CC2)C3=O)c1 306134786 NYELOIWEQSIPDP-RDPSFJRHSA-N 424.520 3.471 0 40 HGAB CCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(OC)cc2)c(Cl)c1 408556125 HURIHNNKTRQIMH-UHFFFAOYSA-N 412.895 3.054 0 40 HGAB Cc1ccccc1CN[C@@H]1C[C@@H](O)[C@H](CO)[C@H]1Cc1ccnc(-c2ccccc2F)n1 604382408 RCHTXGRVIYGQFU-LUGTWXOSSA-N 421.516 3.281 0 40 HGAB biogenic,in-vitro CS(=O)(=O)c1ccc(CCC(=O)NC[C@@H](O)c2cc(-c3ccco3)cs2)cc1 1775967735 AVPXAVIOHCHYJX-QGZVFWFLSA-N 419.524 3.194 0 40 HGAB O=C1COc2ccccc2CCCCO[C@H]2CN(Cc3cccc(F)c3F)C[C@@H]2N1 2037981116 VUNQQWKMIJFALO-FPOVZHCZSA-N 416.468 3.066 0 40 HGAB CSc1nc(N2CCN(Cc3c4c(nn3C)CCC4)CC2)cc(C(C)(C)C)n1 2298054302 VQJQKJHMBJCXAR-UHFFFAOYSA-N 400.596 3.040 0 40 HGAB CC(C)(C)c1cn2nc(N3CCCN(c4ncnc5c4CCCC5)CC3)ccc2n1 2298091175 PTNRQTNLKBOCFY-UHFFFAOYSA-N 405.550 3.412 0 40 HGAB CC[C@H](NC(=O)c1ccc(Cl)c(S(C)(=O)=O)c1)c1ccc2c(c1)OCCO2 59824310 BAJZKHRPXKIPFN-HNNXBMFYSA-N 409.891 3.396 0 40 HGAB Cc1nc2c(cnn2C(C)C)cc1C(=O)Nc1nc(-c2c[nH]c(C(N)=O)c2)cs1 29872443 MNCNUSPMDFDOSM-UHFFFAOYSA-N 409.475 3.123 0 40 HGAB COc1ccc(Cl)cc1N(CC(=O)N1CCCC1)S(=O)(=O)c1ccc(C)cc1 786423 WQMAYIATYHHFDG-UHFFFAOYSA-N 422.934 3.475 0 40 HGAB CCNC(=O)CN1CCN(c2cc(-c3ccccc3)c3ccc(OC)cc3n2)CC1 32770076 WNNDDGINFCTLME-UHFFFAOYSA-N 404.514 3.169 0 40 HGAB CCc1c(C)nc2ncnn2c1N1CCC(C(=O)Nc2cccc(C(C)=O)c2)CC1 4410525 VYNKOSANCRRZTM-UHFFFAOYSA-N 406.490 3.053 0 40 HGAB CCc1nc2sc3c(c2c2nnc(SCC(=O)N4CCCC4)n12)CCCC3 4848078 UDPSWJQJXKBPES-UHFFFAOYSA-N 401.561 3.495 0 40 HGAB COc1ccc(OC)c(-c2csc3nnc(SCC(=O)N4CCCC4)n23)c1 4967233 BCVKVRACBCZQTE-UHFFFAOYSA-N 404.517 3.190 0 40 HGAB C[C@H]1CCCCN1Cc1ccccc1CNC(=O)Cn1ncc2ccccc2c1=O 32930759 VSDPFXCDPOVPLZ-SFHVURJKSA-N 404.514 3.087 0 40 HGAB Cc1ccccc1OCC(=O)Nc1ccc(N2CCN(C(=O)C(F)(F)F)CC2)cc1 7496967 PCELRWFPQGHZDD-UHFFFAOYSA-N 421.419 3.223 0 40 HGAB O=C(COC(=O)Cc1ccccc1Cl)Nc1cc(Cl)ccc1-n1cncn1 7534375 ORQPXSOXSCAVGV-UHFFFAOYSA-N 405.241 3.299 0 40 HGAB CC(=O)N/C(=C\c1ccccc1)C(=O)OCC(=O)Nc1ncc(Cl)c(C)c1Cl 10021834 UJNUQXNSTLRBHO-NVNXTCNLSA-N 422.268 3.356 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)SCc3ccccc3)CC2)cc1 10287706 UPKYBIIJWUFAAG-SFHVURJKSA-N 418.584 3.150 0 40 HGAB Cc1cc(-c2csc(NC(=O)CCN3C(=O)[C@@H]4CCCC[C@H]4C3=O)n2)c(C)n1C 102812476 AMZMDVHNICPKDT-HUUCEWRRSA-N 414.531 3.269 0 40 HGAB CCOc1ccc(CCNC(=O)c2cccc(CS(C)(=O)=O)c2)cc1OCC 8395538 DEVNQPDYQRSCSI-UHFFFAOYSA-N 405.516 3.001 0 40 HGAB O=C(CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)Nc1ccc(F)c(F)c1 33366180 VLSCIKKEWZEBRQ-UHFFFAOYSA-N 421.403 3.399 0 40 HGAB C[C@H]1CN(C(=O)CSc2nc3scc(-c4ccc(F)cc4)c3c(=O)[nH]2)CCO1 22132912 YNWQXPWGZOEOLF-NSHDSACASA-N 419.503 3.130 0 40 HGAB CCCn1c(=O)n(CCC(=O)NC[C@H](c2cccc(F)c2)N(C)C)c2ccccc21 22682470 BPABRIDBGZIOKM-OAQYLSRUSA-N 412.509 3.161 0 40 HGAB CCOc1c(Br)cc(C(=O)NC[C@@H]2COc3ccccc3O2)cc1OC 9631828 PSOWHFFMFVLJHJ-CYBMUJFWSA-N 422.275 3.426 0 40 HGAB C[C@H](NC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)[C@H]1C[C@@H]2CC[C@@H]1C2 102963102 ZKPMRPACCARHHJ-HKJQZYRSSA-N 404.576 3.345 0 40 HGAB C[C@H](C(=O)NCc1cccs1)N1CCN(CCOc2ccc(Cl)cc2)CC1 22931672 XWMMHLGNZCWZIO-MRXNPFEDSA-N 407.967 3.103 0 40 HGAB C[C@H]1CCCC[C@H]1NC(=O)CSCc1cc(=O)n2cc(Br)ccc2n1 23412053 IKSZCWOPXJGABN-SWLSCSKDSA-N 424.364 3.385 0 40 HGAB CCN([C@H]1CCN([C@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc2c(c1)C(=O)OC2 106132602 ZRNZAWGGLVDCSL-APWZRJJASA-N 414.527 3.203 0 40 HGAB Cc1ccc(CNC(=O)C2CCN(S(=O)(=O)Cc3ccc(C)cc3)CC2)cc1 24609274 KHMBJLPFJRSVNA-UHFFFAOYSA-N 400.544 3.162 0 40 HGAB O=C(O)c1cc(I)cc(I)c1Cl 20134647 ZNJCYNGNDYEMAA-UHFFFAOYSA-N 408.360 3.247 0 40 HGAB CCCCn1c(=O)c2sccc2n(CC(=O)Nc2cccc(SC)c2)c1=O 57427222 WJVSFFZUQBOOHQ-UHFFFAOYSA-N 403.529 3.385 0 40 HGAB COc1ccc(CN(C(=O)[C@H]2CN(Cc3ccccc3)CC2=O)c2ccccn2)cc1 101271050 XGUOAEXORPNZNL-QFIPXVFZSA-N 415.493 3.325 0 40 HGAB Cc1c2c(C(F)(F)F)cc(=O)n(CCC(=O)Nc3cccnc3Cl)c2nn1C 36621508 QWKVGSLVEHOHAI-UHFFFAOYSA-N 413.787 3.139 0 40 HGAB C[C@@H](NC(=O)Oc1ccccc1)C(=O)Nc1ccc(I)cc1 408736808 IHXWQCCAMHMBGR-LLVKDONJSA-N 410.211 3.407 0 40 HGAB CCS(=O)(=O)N1CCC(C(=O)N[C@@H](c2ccccc2)c2ccc(C)cc2)CC1 12787354 OQVWQEOKVDREID-NRFANRHFSA-N 400.544 3.262 0 40 HGAB Cc1ccc(-n2nc(C)c(NC(=O)CN3C(=O)N[C@@]4(CCCC[C@H]4C)C3=O)c2C)cc1 12753676 QNXQNTZUALRNMK-IQMFZBJNSA-N 423.517 3.237 0 40 HGAB COc1ccc(NC(=O)c2ccc(NC(=O)CNC(=O)Cc3ccccc3)cc2)cc1 8291216 ICHPYNJRNGSKGU-UHFFFAOYSA-N 417.465 3.245 0 40 HGAB CC(C)(C)c1ccc(OCCNC(=O)C2CCN(C(=O)c3ccncc3)CC2)cc1 12888429 VHNQRWMIGFYQIL-UHFFFAOYSA-N 409.530 3.427 0 40 HGAB Cc1cc(N2CCN(CC(=O)NCc3ccc(Cl)cc3)CC2)nc(C(C)C)n1 12815928 FXGUXPZFLFBOKV-UHFFFAOYSA-N 401.942 3.000 0 40 HGAB CCn1cc(C(=O)N2CCN(c3cccc(C)c3C)CC2)c(=O)c2ccc(C)nc21 3400759 HPWDXOPEHQHVJZ-UHFFFAOYSA-N 404.514 3.304 0 40 HGAB Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3ccc(C(N)=O)cc3)c2)cc1 3452380 JXOGXBOAJQGIKJ-UHFFFAOYSA-N 423.494 3.171 0 40 HGAB CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)c2ccc3c(c2)CCCC3)cc1 12930162 KAMRWWQGKHQTOJ-UHFFFAOYSA-N 400.544 3.323 0 40 HGAB CN1C(=O)Cc2cc(C(=O)CSc3ncnc4c3cnn4-c3ccccc3)ccc21 8324688 FKOIWBHBUZDSHD-UHFFFAOYSA-N 415.478 3.309 0 40 HGAB O=S1(=O)c2ccccc2[C@H](O)[C@H](Cc2c[nH]c3ccccc23)N1Cc1cccnc1 13691149 NAVBAMNTAPFPOO-GMAHTHKFSA-N 419.506 3.412 0 40 HGAB CC[C@@H]1CCCCN1C(=O)c1cc2c(=O)n3cccc(C)c3nc2n1CCCOC 5205684 CCPRMYSTJCSDNO-QGZVFWFLSA-N 410.518 3.399 0 40 HGAB C[C@@H](Oc1coc(CN2CCN(C(=O)c3ccco3)CC2)cc1=O)c1ccccc1 22852822 DUYVAOFJICIYIK-QGZVFWFLSA-N 408.454 3.331 0 40 HGAB C[C@H](NC(=O)COC(=O)c1ccccc1I)c1cccs1 14165755 LMKMHMQKCRKKNE-JTQLQIEISA-N 415.252 3.387 0 40 HGAB CC(=O)N1CCC[C@H]1C(=O)Nc1ncc(Cc2ccc(Br)cc2)s1 14202019 PWDJHLKTFAVIFO-HNNXBMFYSA-N 408.321 3.446 0 40 HGAB Cc1cccc(N(CC(=O)NCc2cccc(OC(C)C)c2)S(C)(=O)=O)c1C 22340379 UNYGUEQVRRQNLS-UHFFFAOYSA-N 404.532 3.173 0 40 HGAB CCCCCc1nc2ccccc2c(=O)n1NC(=O)c1c(O)[nH]c2ccccc2c1=O 9058884 FBMDKKDRJAZDRG-UHFFFAOYSA-N 418.453 3.060 0 40 HGAB Nc1ccc(S(=O)(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 19735882 UTMXYPSVCJDFAC-UHFFFAOYSA-N 407.539 3.365 0 40 HGAB CCc1ccc(CN2C[C@H]3Cc4nnc(C(=O)Nc5ccccc5)n4C[C@H]3C2)cc1 306144299 ZBTPUXQYSXDDDA-WOJBJXKFSA-N 401.514 3.397 0 40 HGAB Cc1nc(-c2ccc(CCNC(=O)Cc3n[nH]c(=O)c4ccccc34)cc2)cs1 9614249 UPVADQFMPXMJOT-UHFFFAOYSA-N 404.495 3.256 0 40 HGAB Cc1cccc(C2(NC(=O)c3nccc4c(S(N)(=O)=O)cccc34)CCCC2)c1 95456864 CNMXFENGONXBDV-UHFFFAOYSA-N 409.511 3.390 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(-c1cc(C)cc(C)c1)n2CCO 89969075 BMUWPIQZBPSBGX-UHFFFAOYSA-N 401.532 3.343 0 40 HGAB O=C(NCCC1=CCCCC1)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1 24612568 BFIRVXYXVVBDCY-UHFFFAOYSA-N 408.539 3.374 0 40 HGAB O=C(COc1ccccc1)NC[C@@H](c1ccco1)N1CCN(c2ccccc2)CC1 56945182 CQVJTSUHWKQPNR-QFIPXVFZSA-N 405.498 3.338 0 40 HGAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H](C)c2ccc(SC)cc2)cc1 20013642 HNOPCDTYKQOPOD-OAHLLOKOSA-N 422.572 3.305 0 40 HGAB O=C1c2ccccc2CN1CCC(=O)N1CCCC2=C[C@@H]3C[C@@H](CN4CCCC[C@@H]34)[C@@H]21 409414335 KMWOXVJLEQBKSZ-YQHSJXJLSA-N 419.569 3.454 0 40 HGAB CCOc1ccc(N2C[C@H](C(=O)O[C@H](C)C(=O)c3ccc(OC)cc3)CC2=O)cc1 22085469 HLIRJHANGMTDAR-NVXWUHKLSA-N 411.454 3.261 0 40 HGAB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccnc3)C2=O)cc1Cl 33556863 LQIKWOOCGZIZGS-VIZOYTHASA-N 403.847 3.419 0 40 HGAB CCNC(=O)CCC/C=C/C[C@H]1[C@H](/C=C/[C@H](O)CCc2ccccc2)[C@@H](O)C[C@H]1O 306120457 AQOKCDNYWBIDND-KKLOAXCZSA-N 415.574 3.147 0 40 HGAB Cc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(=O)Nc1c(C)cccc1C 409390889 MARZCCXMIAQYJB-UHFFFAOYSA-N 402.516 3.414 0 40 HGAB O=C(CCCCCn1cnc2ccccc2c1=O)Nc1ccc(Cn2cncn2)cc1 36360842 YPFWGMQZDBGVFX-UHFFFAOYSA-N 416.485 3.235 0 40 HGAB Cc1cc(C)n(C)c(=O)c1C(=O)N1CCC[C@@H]1c1ccc2c(NC(C)C)n[nH]c2n1 72374541 TZAYDGTXNUUPBS-QGZVFWFLSA-N 408.506 3.071 0 40 HGAB O=C(c1cnc(OCc2ccccc2)cn1)N1C[C@@H](O)C[C@H]1c1ccc(F)c(F)c1 557212407 XGRMUHRWMOJXDJ-JXFKEZNVSA-N 411.408 3.282 0 40 HGAB CCOc1ccccc1CNC(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1 216350527 BNNAJQCVAUMFQR-UHFFFAOYSA-N 416.543 3.498 0 40 HGAB CN(CC(=O)NCCSCc1ccccc1Cl)S(=O)(=O)c1ccccc1 225412034 RBZBANYWCABQJW-UHFFFAOYSA-N 412.964 3.010 0 40 HGAB CC(=O)c1cccc(NC(=O)CCCCCN2C(=O)[C@@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@H]3C2=O)c1 222453774 AQIZKCBRIYLJCU-LCDLLCBDSA-N 420.509 3.441 0 40 HGAB COc1ccccc1/C=C/C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1OC 44903638 LEKUROFVVBXPSR-FMIVXFBMSA-N 416.499 3.140 0 40 HGAB CCOc1ccc(CNC(=O)c2ccc(C)c(N3CCCCS3(=O)=O)c2)cc1 222573177 NBBMJIMHTPVNBL-UHFFFAOYSA-N 402.516 3.254 0 40 HGAB CC(C)(C)OC(=O)N1CCC(NS(=O)(=O)c2ccccc2Br)CC1 49983393 OACZBEDXYOHKIY-UHFFFAOYSA-N 419.341 3.127 0 40 HGAB CCNC(=O)c1cc(S(=O)(=O)N[C@@H](CC)c2ccc(OC)c(C)c2)ccc1OC 225760350 YHBDODCBOPNANW-SFHVURJKSA-N 420.531 3.192 0 40 HGAB C[C@H](C(=O)NCc1ccccn1)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1 222917499 AFMXPDBGMVFNMO-GOSISDBHSA-N 405.473 3.497 0 40 HGAB CC[C@H](C(=O)NCCOc1cccc(C)c1C)N(c1ccc(F)cc1)S(C)(=O)=O 223939003 WSFQGEHOJODCSD-LJQANCHMSA-N 422.522 3.182 0 40 HGAB COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccncc1 223714474 QJFGOURJGYBVGF-SFTDATJTSA-N 421.526 3.193 0 40 HGAB CC(C)c1cc(C(=O)Nc2cnn(Cc3ccc(F)cc3)c2)nc(N2CCOCC2)n1 96100952 VVPGNTTUEMHTTE-UHFFFAOYSA-N 424.480 3.073 0 40 HGAB COC1(c2nc(C3CCOCC3)no2)CCN(C[C@@H](O)c2cc(C)cc(C)c2)CC1 583615845 CLTNMLGHWLTRAA-HXUWFJFHSA-N 415.534 3.252 0 40 HGAB O=C1C[C@H]([C@@H]2CCCN(C(=O)[C@H]3CC(c4ccccc4)=NO3)C2)Oc2ccccc21 247955735 NFDBSWGFXULTAR-NLSFWIRASA-N 404.466 3.452 0 40 HGAB Cc1ccsc1CN1CCc2nc([C@@H]3CCCN3C(=O)[C@@H]3C[C@H]3C)nc(O)c2C1 253599073 KPUFZVQSVZKBBN-RKVPGOIHSA-N 412.559 3.430 0 40 HGAB CNC(=O)[C@]1(c2ccccn2)CCCN(C(=O)C2(c3ccc(F)cc3)CCCC2)C1 257305242 SPAYBQSRUGZTLP-XMMPIXPASA-N 409.505 3.339 0 40 HGAB COCCc1ncc(CN2CCO[C@H](c3cc(Nc4ccccn4)cc(C)n3)C2)cn1 257249315 JHQPWSBMPQDLSG-NRFANRHFSA-N 420.517 3.081 0 40 HGAB C[C@H]1CCCN(c2nc(O)c3c(n2)CN(C[C@H](C)Cc2ccc4c(c2)OCO4)CC3)C1 257309208 TZYYXZFSOYCCLX-DLBZAZTESA-N 424.545 3.384 0 40 HGAB O=C(NC[C@H]1CC[C@H](c2ccnc3nc(C(F)(F)F)nn32)CC1)c1ccccn1 257247465 IZCXLINEZNWKPS-JOCQHMNTSA-N 404.396 3.242 0 40 HGAB Cc1cc2c(=O)c(-c3ccc(O[C@H](C)C(=O)O)cc3)coc2cc1O[C@@H](C)C(=O)O 263583667 SNPKPSDVBDSFEQ-OLZOCXBDSA-N 412.394 3.472 0 40 HGAB CCS(=O)(=O)N1CCC[C@H](C(=O)N[C@H](C)c2cc(C(C)C)c(OC)cc2C)C1 260928673 KJAAMQGGQIEIJX-SJORKVTESA-N 410.580 3.366 0 40 HGAB COC(=O)C[C@H](NC(=O)CCOCC(F)(F)F)c1ccc(C(F)(F)F)cc1 1647138623 BPDOYCABUFABTL-LBPRGKRZSA-N 401.303 3.395 0 40 HGAB CN(C)c1cccc(C(=O)N2CC[C@@H](c3ccccc3Cl)S(=O)(=O)CC2)c1 575415091 ZQLYSXMQBWZBPD-IBGZPJMESA-N 406.935 3.408 0 40 HGAB CCc1ccccc1C(=O)N1CCC2(CC1)CO[C@@H](CN(C)[C@H]1CC[C@H](O)CC1)C2 585104820 TUEMJAXTPIZGDF-YPAWHYETSA-N 414.590 3.496 0 40 HGAB Cc1cc(C)nc(Nc2cc([C@@H]3CCCCN3C(=O)/C=C/c3cnc[nH]3)nc(C)n2)n1 585290756 DRVRURPRMYPCBG-UCFODXPJSA-N 418.505 3.426 0 40 HGAB CCC[C@@](C)(O)[C@H]1C[C@@]23C=C[C@]1(OC)[C@@H]1Oc4c(O)ccc5c4[C@@]12CCN(C)[C@@H]3C5 5561290 CAHCBJPUTCKATP-FAWZKKEFSA-N 411.542 3.164 0 40 HGAB Cc1ccccc1-c1nnc(S[C@H](C)C(=O)NC(=O)NC2CCCCC2)n1C 5860053 OSYXTJUKVNEONE-CQSZACIVSA-N 401.536 3.430 0 40 HGAB Cc1cc(-c2snnc2[C@H]2CCCN(C(=O)CCc3c(C)nn(C)c3C)C2)on1 13225980 IYAPJTIMGYMFHD-HNNXBMFYSA-N 414.535 3.191 0 40 HGAB CCN(CC)S(=O)(=O)c1cccc(C(=O)NCCCOc2ccccc2F)c1 15712939 IGLFJUNULXKEBK-UHFFFAOYSA-N 408.495 3.055 0 40 HGAB O=C(CN(C(=O)c1csnn1)c1ccc(Br)cc1)NC1CCCCC1 15935940 BXFCQKUBPWESJO-UHFFFAOYSA-N 423.336 3.396 0 40 HGAB Cc1cccc(-c2ccc(C[C@]3(C(=O)N(C)C)CN(C(=O)C4CC4)CCO3)cc2)c1 19235342 UVNMZKKCYWFUOV-RUZDIDTESA-N 406.526 3.300 0 40 HGAB COc1cccc(-c2noc([C@H]3CN(C(=O)COc4c(C)cccc4C)CCO3)n2)c1 19236065 LVHDFKAEFRQDRC-LJQANCHMSA-N 423.469 3.341 0 40 HGAB CCOc1ccc([C@@H](CNC(=O)c2cc(C(F)(F)F)nn2C)N2CCCC2)cc1 19532703 NJBYAMPCROBVLO-QGZVFWFLSA-N 410.440 3.405 0 40 HGAB COc1ccc(CCC(=O)N2CCC[C@@H]2c2nc(-c3cccnc3)cc(=O)[nH]2)cc1 19554534 SOEUMIMLGPTGKT-HXUWFJFHSA-N 404.470 3.137 0 40 HGAB Cc1cc(F)ccc1S(=O)(=O)N1CC[C@@H](c2c(C(N)=O)sc3ncccc23)C1 19702318 DNZOQTVVIITKFG-GFCCVEGCSA-N 419.503 3.021 0 40 HGAB CCN(CC(=O)Nc1ccc(OC)cc1)S(=O)(=O)c1ccc(OC)c(Cl)c1 19930193 NJACCRPNSBQTIV-UHFFFAOYSA-N 412.895 3.007 0 40 HGAB COc1ncc([C@]2(O)CCC[C@@H]3CN(Cc4ccc(Cl)cc4)C[C@H]32)c(OC)n1 247887566 SEWGQILUYUHYJF-FQELHTAISA-N 403.910 3.267 0 40 HGAB Cc1ncc(C(=O)N2CCC[C@@H]3[C@H]2CCCCc2ccccc2OCC(=O)N3C)cn1 1848354538 JGMURXBCUJJYHW-NHCUHLMSSA-N 422.529 3.022 0 40 HGAB Cc1nc2ccccc2c(=O)n1CC1CCN(C(=O)[C@@H]2CCc3ccccc3O2)CC1 1848620555 PVLQBNUKWJQTQI-QHCPKHFHSA-N 417.509 3.337 0 40 HGAB O=C(NC[C@@](O)(c1ccoc1)c1cccs1)C(=O)Nc1ccc(F)c(Cl)c1 253473446 UXPRCMHOCIPZLL-GOSISDBHSA-N 408.838 3.124 0 40 HGAB CC(C)N1CCc2c(sc(NC(=O)COc3ccc(Cl)cc3)c2C(N)=O)C1 4087246 XQBQQZMLJHPXPR-UHFFFAOYSA-N 407.923 3.284 0 40 HGAB CCCCCCn1c(=O)c2c(nc3n(-c4ccccc4OCC)c(C)cn23)n(C)c1=O 4370395 UOQGRMHWSYTLKH-UHFFFAOYSA-N 423.517 3.426 0 40 HGAB COc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccc(F)cc4F)ccn3n2)cc1 7615963 QYACZYUOTYGOBF-UHFFFAOYSA-N 410.380 3.089 0 40 HGAB Cc1ccc(OCC(=O)NCCCn2nc(-c3ccc(F)cc3)ccc2=O)c(C)c1 13801972 PKLJRRXJOLWHBE-UHFFFAOYSA-N 409.461 3.252 0 40 HGAB CCn1c(SCC(=O)Nc2cc(C)on2)nnc1-c1c(C)nc2sccn12 23141499 AUEVEQOAGMKXGI-UHFFFAOYSA-N 403.493 3.010 0 40 HGAB CC1(C)CC(=O)C(C2(C3C(=O)CC(C)(C)CC3=O)C(=O)Nc3ccccc32)C(=O)C1 100701529 VDVRPBUUZWOWPM-UHFFFAOYSA-N 409.482 3.025 0 40 HGAB O=C(CN1CCC(CN2C(=O)c3ccccc3C2=O)CC1)Nc1cccc(Cl)c1 40149573 GBHZMJWHSNSMQK-UHFFFAOYSA-N 411.889 3.287 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCC(NC(=O)C(F)(F)c3ccccc3)CC2)cc1 40115086 XAIAPQPFKFQRJP-UHFFFAOYSA-N 408.470 3.056 0 40 HGAB CCOc1ccc(N2C(=O)C[C@H](N3CCC(Nc4ccc(OC)cc4)CC3)C2=O)cc1 100188770 GQVKCKLTBQDGMN-QFIPXVFZSA-N 423.513 3.302 0 40 HGAB CC[C@@H](C)[C@H](NC(=O)N1CCc2nc[nH]c2[C@@H]1c1cccc(Cl)c1)C(=O)OC 20727051 PJKHFXQCEFVQRK-PUECVXPYSA-N 404.898 3.308 0 40 HGAB Cc1cc2cc3c(cc2n2c(SCC(=O)NCc4ccccc4)nnc12)OCCO3 877398 AFCIKAFYWZUXOA-UHFFFAOYSA-N 420.494 3.371 0 40 HGAB CCOc1ccccc1-n1c(COc2ccc(Cl)cc2)nnc1SCC(N)=O 904991 YSZPVZBWWRJIFV-UHFFFAOYSA-N 418.906 3.476 0 40 HGAB CCCc1cc(=O)oc2c(C)c(O[C@H](C)C(=O)N[C@@H](CC(C)C)C(=O)O)ccc12 2099139 YNEXZIKRUMLSIL-PBHICJAKSA-N 403.475 3.437 0 40 HGAB biogenic Cc1cc(NC(=O)CSc2nc3c(c(=O)n2-c2ccc(F)cc2)SCC3)no1 2459492 HQYKXJBWUIHTQQ-UHFFFAOYSA-N 418.475 3.047 0 40 HGAB Cc1cc(C)n2nc(S[C@@H]3CCCCN(C(=O)c4ccc(F)cc4)C3=O)nc2n1 2631541 SMVNGSKFQQCMEY-MRXNPFEDSA-N 413.478 3.194 0 40 HGAB CCOCCCn1c(SCC(=O)NCc2ccccc2)nc2ccccc2c1=O 2635727 CSZBDUYCYPYGJD-UHFFFAOYSA-N 411.527 3.232 0 40 HGAB O=C(CSc1nnc(Nc2ccccc2F)s1)NC(=O)Cc1ccccc1 2660747 FBASBOMUWSKHSV-UHFFFAOYSA-N 402.476 3.398 0 40 HGAB CCOC(=O)COc1cccc2c(=O)n(CC(=O)Nc3cccc(C)c3C)ccc12 2712208 QBWFZPSRDICOBY-UHFFFAOYSA-N 408.454 3.199 0 40 HGAB COc1ccc(NC(=S)NCCCN2CCN(c3ccc(F)cc3)CC2)cc1 4624040 AIXDWIPIEMHQEJ-UHFFFAOYSA-N 402.539 3.333 0 40 HGAB Cc1ccccc1OCc1nnc(SCC(=O)Nc2nnc(C3CC3)s2)n1C 4814756 ZEJGVLIDUMOUEO-UHFFFAOYSA-N 416.532 3.162 0 40 HGAB Cc1ccccc1NC(=O)Cc1nnc(SCC(=O)N[C@@H]2CCCC[C@@H]2C)n1C 4816131 NOWACPMWPNFQHC-DOTOQJQBSA-N 415.563 3.092 0 40 HGAB COc1cccc(-n2c(SCC(=O)N3CCCCC3)nnc2-c2ccncc2)c1 4854257 WFMFEDZXJFASJK-UHFFFAOYSA-N 409.515 3.443 0 40 HGAB COc1ccc(-c2nnc(SCC(=O)NC(C)(C)C)n2C[C@H]2CCCO2)cc1 5021253 YONWFHHPOLGAFA-MRXNPFEDSA-N 404.536 3.140 0 40 HGAB Cc1ccc(-c2nc(C(N)=O)c3[nH]c(=O)n(-c4ccc(C(C)(C)C)cc4)c3n2)cc1 5143487 HAHBLILEWUONRI-UHFFFAOYSA-N 401.470 3.481 0 40 HGAB Cc1nnc(SCc2nc(N)nc(Nc3ccccc3)n2)n1Cc1ccccc1 5259914 FUMLMARSLQZTAK-UHFFFAOYSA-N 404.503 3.438 0 40 HGAB CNC(=O)NC(=O)[C@H](C)Sc1ncc(-c2ccccc2)n1-c1ccccc1OC 5263654 IENMJHILFWSQIE-AWEZNQCLSA-N 410.499 3.484 0 40 HGAB COc1ccc(C(=O)NCc2ccccc2)cc1S(=O)(=O)N1CCCC[C@@H]1C 5557748 YAMPFZPOPJCHSZ-INIZCTEOSA-N 402.516 3.188 0 40 HGAB COc1ccc(OCC(=O)N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)cc1 6027308 MOAMFWRZNCLVOA-UHFFFAOYSA-N 416.346 3.118 0 40 HGAB COc1ccc(C(=O)Nc2cccc(-n3c(C)nc4ncccc4c3=O)c2)c(OC)c1 7509085 XXRQVZIXUDKEOR-UHFFFAOYSA-N 416.437 3.359 0 40 HGAB COc1cccc(NC(=O)[C@H](C)N(C)CC(=O)Nc2cc(Cl)ccc2OC)c1 7777808 RHLCQGMOSIIPAT-ZDUSSCGKSA-N 405.882 3.255 0 40 HGAB O=C(NC1CC1)[C@H](c1ccccc1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 7916033 OMQTUNIGWLVKEY-IBGZPJMESA-N 404.436 3.242 0 40 HGAB O=C1Nc2ccccc2S[C@@H]1CC(=O)N1CCN(c2cccc(Cl)c2)CC1 8016380 DPUOOCCYABRDPT-GOSISDBHSA-N 401.919 3.492 0 40 HGAB Cc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)c(C)c1 8039972 FHSQFLIZAPBPIG-HNNXBMFYSA-N 400.862 3.492 0 40 HGAB O=C(NCCCSc1ccccc1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 8073467 SFARBYUIOWPPMY-MRXNPFEDSA-N 412.511 3.109 0 40 HGAB CCc1n[nH]c(=S)n1NCc1ccc(-c2cc(C(=O)OC)cc(C(=O)OC)c2)o1 8339254 IQQIBGPSQGEMIZ-UHFFFAOYSA-N 416.459 3.080 0 40 HGAB COc1ccc2c(CCNC(=O)COc3ccc4c(C)cc(=O)oc4c3)c[nH]c2c1 8764633 UAJMHRQMGNXTCM-UHFFFAOYSA-N 406.438 3.329 0 40 HGAB biogenic Cc1c(S(=O)(=O)CCNC(=O)Nc2c(F)cccc2F)c2ccccc2n1C 8808491 PTPKGRJLBYUZQW-UHFFFAOYSA-N 407.442 3.360 0 40 HGAB CCc1c(C)sc2nc(/C(=C\c3cccs3)C(=O)N3CCOCC3)[nH]c(=O)c12 8849306 CGUFOMJZTFUDOS-RVDMUPIBSA-N 415.540 3.316 0 40 HGAB Cc1ccc(S(=O)(=O)c2cn(CC(=O)NCc3ccccn3)c3ccccc23)cc1 8865390 DGUHNPXXSJMABP-UHFFFAOYSA-N 419.506 3.494 0 40 HGAB Cn1cccc1C[C@@H]1[C@H](O)c2ccccc2S(=O)(=O)N1CCCc1ccccc1 8991574 XILLMNSWSOWDAO-FYYLOGMGSA-N 410.539 3.307 0 40 HGAB COc1ccc(N2C[C@@H](C(=O)Nc3nnc(CCc4ccccc4)s3)CC2=O)cc1 9191170 POJCWMNVVJGFIH-INIZCTEOSA-N 422.510 3.324 0 40 HGAB CCNC(=O)c1cc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)ccc1C 9252355 CMLCMESWNAXCHK-UHFFFAOYSA-N 400.544 3.388 0 40 HGAB O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)N(Cc1ccco1)C1=CCCCC1 9386400 RSJLHQYSBYHSFD-DEOSSOPVSA-N 419.481 3.460 0 40 HGAB CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NCC(F)(F)F)c1 9642878 YCRBANCVVUXFRR-UHFFFAOYSA-N 420.840 3.453 0 40 HGAB COC(=O)c1sc2cccc(F)c2c1S(=O)(=O)NCc1ccc(OC)cc1 9646567 PDQPGJNOKJDCIY-UHFFFAOYSA-N 409.460 3.314 0 40 HGAB CC1CCC2(CC1)NC(=O)N(NC(=O)c1ccc(-n3cnc4ccccc43)cc1)C2=O 9836063 XHCQDQXORMTAIT-UHFFFAOYSA-N 417.469 3.171 0 40 HGAB O=C(CSc1nnc(C2CC2)n1Cc1ccccc1)Nc1ccc2[nH]c(=O)[nH]c2c1 9867409 LUNAKRYEWBKBPD-UHFFFAOYSA-N 420.498 3.104 0 40 HGAB Cn1cc(C(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)c2ccccc21 9883439 DDNKTOWTNGWSIO-UHFFFAOYSA-N 405.454 3.398 0 40 HGAB Cc1ccc(CCCNC(=O)CN(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1 10110452 HJVJRDJSYUKQAF-UHFFFAOYSA-N 408.951 3.472 0 40 HGAB COc1ccc(-c2noc(COC(=O)c3cc(Cl)c(N)cc3OC)n2)c(OC)c1 10551096 NNTRJWZPKPKNAU-UHFFFAOYSA-N 419.821 3.355 0 40 HGAB O=C(CNc1ccc(C(F)(F)F)cc1)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1 11161673 NXCKOKPSBHMDRU-KRWDZBQOSA-N 412.433 3.338 0 40 HGAB O=C(c1ccc(C(F)(F)F)cc1)N1CCC(NS(=O)(=O)c2cccs2)CC1 11450526 RHZWQQAHVHVOIX-UHFFFAOYSA-N 418.462 3.350 0 40 HGAB O=C(Nn1cnc2c(cnn2-c2cccc(Cl)c2)c1=O)c1ccc(Cl)cc1 11665749 YTQWOHFNMJWFBX-UHFFFAOYSA-N 400.225 3.273 0 40 HGAB Cc1ccc(NC(=O)C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)cc1 11766154 OWOGMVIYIXIZSS-UHFFFAOYSA-N 404.396 3.307 0 40 HGAB O=C(CN1CCC[C@@H](c2ncncc2-c2ccncc2)C1)Nc1ccc2c(c1)OCO2 12117164 LLFGEXBBKUIBIZ-QGZVFWFLSA-N 417.469 3.085 0 40 HGAB COc1cc(CCC(=O)N[C@H]2CC(C)(C)Cc3nc(-c4ccncc4)ncc32)on1 12238423 GHGSLNWMUBWFBT-KRWDZBQOSA-N 407.474 3.298 0 40 HGAB COc1ccc2c(c1)cc(C(=O)NCCC(=O)NCCc1c[nH]c3ccccc13)n2C 12296934 UYFZGMYCNDQMMW-UHFFFAOYSA-N 418.497 3.147 0 40 HGAB biogenic O=C(CCCc1c[nH]c2ccccc12)N1CCN(C(=O)COc2ccccc2)CC1 12410000 BXPSLQAIDRBLPP-UHFFFAOYSA-N 405.498 3.240 0 40 HGAB COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N(C)Cc2ccco2)cc1 12525909 RIUUBCHQXPJDKJ-UHFFFAOYSA-N 400.456 3.361 0 40 HGAB Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)NC2CCN(C(C)C)CC2)cc1 12561177 LSQDYGYJSHGGHG-UHFFFAOYSA-N 415.559 3.398 0 40 HGAB CCOc1ccc(C(=O)Nc2nc(CN3C[C@H](C)O[C@H](C)C3)cs2)cc1OC 12747162 DHTICGPZCBWSKK-OKILXGFUSA-N 405.520 3.412 0 40 HGAB COc1ccc(-c2csc(NC(=O)Cn3cnc4sccc4c3=O)n2)cc1F 12753220 ZBYIXNHHRXUXCR-UHFFFAOYSA-N 416.459 3.368 0 40 HGAB Cc1ccc(NC(=O)c2ccc3c(c2)OCC(=O)N3)cc1I 12809913 HYOOXTHIEIWOMA-UHFFFAOYSA-N 408.195 3.183 0 40 HGAB Cc1ccc(OCc2ccc(C(=O)NN3C(=O)N[C@](C)(c4ccccc4)C3=O)o2)cc1 12923094 DWBRSGSAGDJQKA-HSZRJFAPSA-N 419.437 3.279 0 40 HGAB O=C(c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1)N1CCN(C(=O)C2CC2)CC1 13019638 MHUOEFXXUPHHIN-UHFFFAOYSA-N 424.888 3.480 0 40 HGAB CC[C@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C1 13681228 BMVRKVUFLIZKFZ-QWHCGFSZSA-N 407.363 3.450 0 40 HGAB O=C(NC1CC1)c1cc(-c2ccco2)nc2c1cnn2Cc1ccc2c(c1)OCO2 14113671 DAHDHLTWZXINDO-UHFFFAOYSA-N 402.410 3.361 0 40 HGAB Cc1c(C(=O)COC(=O)CCCNS(=O)(=O)c2cccs2)oc2ccccc12 14136129 AISWULISPTWJPJ-UHFFFAOYSA-N 421.496 3.287 0 40 HGAB Cc1ccc(NC(=O)CN(C)C(=O)c2ccc(I)cc2)cc1 16594522 QZTUXCKNMRPGQU-UHFFFAOYSA-N 408.239 3.310 0 40 HGAB Cc1ccc(NC(=O)Cn2nc3ccc(SC(C)(C)C)nn3c2=O)cc1Cl 16845420 AZYQVTASZDMFOW-UHFFFAOYSA-N 405.911 3.382 0 40 HGAB CC(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCN(C(=O)c4ccnn4C)C3)cc2N1 19451375 BJQXZJZKGXCCRF-HEHGZKQESA-N 410.444 3.190 0 40 HGAB CCC[C@@]1(C(=O)OC)N[C@@H](c2ccc(C)cc2)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]21 19501980 BUKVTGGQIXTIFJ-UGCAPWQASA-N 420.509 3.465 0 40 HGAB Cc1nn(C)cc1-c1cc(C(=O)NC[C@@H](c2ccc(F)cc2)N2CCCCC2)n[nH]1 19665301 PUBGIHKWGFBGFZ-NRFANRHFSA-N 410.497 3.215 0 40 HGAB CCC1(CC)NC(=O)N(CC(=O)Nc2cccc(-c3cn4cccc(C)c4n3)c2)C1=O 19715276 RXPPYSWVAYCBGU-UHFFFAOYSA-N 419.485 3.359 0 40 HGAB COc1cccc([C@H]2CCCN2C(=O)CCC(=O)N2CC(=O)Nc3ccccc32)c1 19718181 QLVFSQUCMNMTSN-LJQANCHMSA-N 407.470 3.124 0 40 HGAB CCSc1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 20105024 QCBBCVULRWLVEN-UHFFFAOYSA-N 420.556 3.380 0 40 HGAB C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)N1CCN(C/C=C/c2ccccc2)CC1 22038220 XXIHKZIZNYKFPD-MEQKGCOVSA-N 407.514 3.116 0 40 HGAB CCN1CCN(c2ccc(NC(=O)[C@H]3CC(=O)Nc4cc(F)ccc43)c(C)c2)CC1 22238040 UKLNZXHCCYLLQI-IBGZPJMESA-N 410.493 3.341 0 40 HGAB Cc1cc(C)cc(-c2nn(CN3CCC(C(=O)N4CCOCC4)CC3)c(=S)o2)c1 22279917 BZGOZKXHHLBKTA-UHFFFAOYSA-N 416.547 3.018 0 40 HGAB CN1CCN([C@H](CNC(=O)c2ccccc2Br)c2ccc(F)cc2)CC1 22794682 PZKDZMNXMNVFAC-LJQANCHMSA-N 420.326 3.307 0 40 HGAB CC[C@@H](CNC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)CC)c1ccccc1 22973486 CQJOARJDNCFTIO-UWJYYQICSA-N 400.544 3.073 0 40 HGAB CSc1cccc(NC(=O)C(=O)NCC2CCN(Cc3cccs3)CC2)c1 23127518 XZZDCGUAGJDBIE-UHFFFAOYSA-N 403.573 3.437 0 40 HGAB CC(C)C(=O)N1CCC[C@H](C(=O)N[C@@H](c2ccc(Cl)cc2)c2nccn2C)C1 23189161 MREKQBNUWHBZKB-WMZOPIPTSA-N 402.926 3.174 0 40 HGAB COc1ccc([C@H](CNC(=O)Cc2ccc3c(c2)CCCC3)N2CCOCC2)cc1 23762994 VHHJORMEZSFBTF-DEOSSOPVSA-N 408.542 3.306 0 40 HGAB COC(=O)c1cccc(S(=O)(=O)N2CCCN(Cc3ccc(Cl)cc3)CC2)c1 24366795 SOPXUVJHKIZKAV-UHFFFAOYSA-N 422.934 3.023 0 40 HGAB COC(=O)CNC(=O)c1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)on2)cc1 26392149 DMLOCFQQIJAACH-UHFFFAOYSA-N 413.817 3.150 0 40 HGAB Cc1ccc(S(=O)(=O)NC2C[C@@H]3CC[C@H](C2)N3Cc2ccc3c(c2)OCO3)cc1 27698325 VYYCRORNYPWNQA-YQQQUEKLSA-N 414.527 3.198 0 40 HGAB O=C(Cn1ncc2ccccc2c1=O)N[C@H](Cc1ccccc1)c1nc2ccccc2[nH]1 28997099 AOXQBLGCHSVOGT-JOCHJYFZSA-N 423.476 3.373 0 40 HGAB CC(C)(C(=O)N1CCN(C(=O)c2ccc(Br)o2)CC1)c1ccccc1 32279956 CKZXZZHFXLCMTP-UHFFFAOYSA-N 405.292 3.304 0 40 HGAB COc1cccc(-c2cc(C(=O)N[C@H](C)c3cnn(C)c3C)c3c(C)nn(C)c3n2)c1 36616360 QQZDDTGQCCTFBM-CYBMUJFWSA-N 418.501 3.485 0 40 HGAB CCc1ccc(S(=O)(=O)NCCCCN2CCO[C@H](c3ccccc3)C2)s1 36700402 KJYRDJOFFWBQSG-IBGZPJMESA-N 408.589 3.443 0 40 HGAB Cc1c(NC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)c(=O)n(-c2ccccc2)n1C 38850164 MVXDUKLRAWYYFN-LJQANCHMSA-N 422.504 3.474 0 40 HGAB O=C(NCc1cccnc1)C1CCN(C(=O)c2cc(Br)ccc2F)CC1 40072454 ZIVJCWZGVKDKRD-UHFFFAOYSA-N 420.282 3.152 0 40 HGAB Cc1cccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)CCCc3ccccc3)C2)c1 44884291 BTYNUWFOVVSLNO-JOCHJYFZSA-N 414.571 3.286 0 40 HGAB Cc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccc(C)c(C)c4)ncn3n2)c(C)c1 51316968 NSXHYNLVNNLRQI-UHFFFAOYSA-N 401.470 3.430 0 40 HGAB CCN1CC(Oc2ccccc2)=NC(SCC(=O)Nc2ccc3c(c2)OCO3)=N1 57401535 SUIVOGVFRBWTLF-UHFFFAOYSA-N 412.471 3.171 0 40 HGAB C[C@H]1CCCCN1C(=O)Cn1c(=O)n(-c2cccc(Cl)c2)c(=O)c2sccc21 57491456 RUQQSCSQICJSGN-ZDUSSCGKSA-N 417.918 3.268 0 40 HGAB O=C(NCc1ccc(-n2cncn2)nc1)Nc1cccc(NC(=O)c2ccccc2)c1 57777218 BYQSNLLOMLYTGS-UHFFFAOYSA-N 413.441 3.236 0 40 HGAB COC(=O)C1=CO[C@@H](C)[C@H]2CN3CCc4c([nH]c5cc(OC)c(OC)cc45)[C@@H]3C[C@H]12 59796452 FGWJRZQNNZVCHR-SJMGXHDFSA-N 412.486 3.196 0 40 HGAB Cc1nnc2c(SCC(=O)Nc3ccc4c(c3)OCCO4)nc3ccccc3n12 64949027 ZMARVGOZIHSJMG-UHFFFAOYSA-N 407.455 3.088 0 40 HGAB CC(C)[S@@](=O)c1ccc(C(=O)NC[C@@H](C)N2CCN(c3ccccc3)CC2)cc1 72294487 HUVTZKQGQVGQKT-XBBWARJSSA-N 413.587 3.143 0 40 HGAB Cc1cccc(CNS(=O)(=O)c2ccc3c(c2)[C@H](NC(=O)C2CCCC2)CC3)n1 72345823 XHJVQNZVUJNRRQ-OAQYLSRUSA-N 413.543 3.162 0 40 HGAB CN1CCN(CCOc2ccccc2NC(=O)COc2ccc3ccccc3c2)CC1 89382711 HYILMVHVZLOTPO-UHFFFAOYSA-N 419.525 3.484 0 40 HGAB C[C@@H](Cc1ccsc1)NC(=O)CCN1C(=O)c2ccc(Br)cc2C1=O 89904293 AHTVGTFZZCFCOU-NSHDSACASA-N 421.316 3.244 0 40 HGAB COc1ccc([C@H](O)[C@H]2CCCN2C(=O)CCc2nc(-c3ccsc3)no2)cc1 95432314 MKAIXMIZJFJEBC-XLIONFOSSA-N 413.499 3.464 0 40 HGAB O=C(NC[C@@H]1COC2(CCCCC2)O1)c1cc(F)ccc1I 95463225 VNXIADGBBYBSNR-GFCCVEGCSA-N 419.234 3.236 0 40 HGAB CN(CC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccco1)Cc1ncc(Cl)n1C 95466188 SAAOPFDMZBOMPV-CQSZACIVSA-N 401.854 3.069 0 40 HGAB CN1C(=O)[C@H](NC(=O)NCCc2ccccc2)N=C(c2ccccc2)c2ccccc21 95929328 KANKPFFURFNGBE-QHCPKHFHSA-N 412.493 3.368 0 40 HGAB Cc1cnc(CNC(=O)c2ccn(-c3ccc4ccc(-c5cccnc5)cn34)n2)cn1 96155339 VBDMWJADBNYHSY-UHFFFAOYSA-N 409.453 3.215 0 40 HGAB COc1ccc(S(=O)(=O)N(CC(=O)N[C@@H]2C[C@@H]3CC[C@@H]2C3)c2ccccc2)cc1 100343903 ZEGLBFZVFOUWJP-CBGDNZLLSA-N 414.527 3.195 0 40 HGAB Cc1ccc(C)c(C(=O)COC(=O)[C@@H](C(C)C)N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)c1 101154395 LFVFIRCVBDCTAY-WPCMGHOJSA-N 411.498 3.085 0 40 HGAB C[C@@H](NC(=O)C(=O)N[C@H]1C(=O)N(Cc2ccccc2)c2ccccc21)c1ccccc1 101343749 AQIUIHWYHDFRQC-VGOFRKELSA-N 413.477 3.268 0 40 HGAB COc1ccc(-c2nc(CC(=O)NC[C@H]3CC[C@H](C(=O)O)CC3)cs2)cc1OC 101562171 WOJQDHXEDAZYJD-OKILXGFUSA-N 418.515 3.377 0 40 HGAB O=C(CSc1nc(=O)cc(O)n1C1CCCC1)Nc1ccccc1OC(F)F 101594398 OSNUIZSERKTJEN-UHFFFAOYSA-N 411.430 3.396 0 40 HGAB COc1ccc(C(=O)[C@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]3[C@H]3CCCN32)cc1 103531054 PPKBCXDRJPIAHD-YSTOQKLRSA-N 424.884 3.184 0 40 HGAB CCOc1ccc(CNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)cc1 113957983 ZRHYUQNPAMGIQQ-UHFFFAOYSA-N 402.516 3.190 0 40 HGAB COC[C@@]1(N)[C@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 218232168 ATAKWQYDVDUMEY-FGTMMUONSA-N 410.333 3.041 0 40 HGAB CC(=O)c1ccc(S(=O)(=O)N2CCS[C@H](c3ccc4c(c3)OCO4)CC2)cc1 219255620 LCNDGVWYKDZDLD-FQEVSTJZSA-N 419.524 3.487 0 40 HGAB COC(=O)c1cc(S(=O)(=O)n2cc(C(=O)OC)c3ccccc32)ccc1Cl 222643948 VENLZSRUVMPBOW-UHFFFAOYSA-N 407.831 3.105 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)Nc1ccccc1F 224742335 RYCGMPACXBMDNT-UHFFFAOYSA-N 406.479 3.190 0 40 HGAB CN([C@@H](C(=O)Nc1ccccc1C(=O)c1ccccc1)c1ccccc1)S(C)(=O)=O 224902212 HSOAWXYPZFIOHS-OAQYLSRUSA-N 422.506 3.489 0 40 HGAB CC(C)Oc1cccc(NC(=O)[C@H](C)Oc2ccc(N(C)S(C)(=O)=O)cc2)c1 224904939 RPZKIPVAQAKBAG-HNNXBMFYSA-N 406.504 3.276 0 40 HGAB CC(C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1ccc2c(c1)OCO2 225592933 QPEHCRNRKCXEOV-MRXNPFEDSA-N 414.477 3.429 0 40 HGAB CO[C@H]1CC[C@H](C(=O)NCCn2nc(-c3ccccc3F)cc2CN(C)C)CC1 257267062 MFULDIWMBCUHBT-SAABIXHNSA-N 402.514 3.072 0 40 HGAB COc1ccc(-c2cccc([C@@H]3CN(Cc4cnc(N(C)C)nc4)CCO3)n2)cc1 257282497 OTYNKRITROUDIL-QFIPXVFZSA-N 405.502 3.187 0 40 HGAB Cc1nc(C)c(CC(=O)NC[C@H]2CC[C@H](c3nnc(-c4cnccn4)o3)CC2)s1 257315859 VDADQIFZGDHLNT-SHTZXODSSA-N 412.519 3.233 0 40 HGAB COc1cccc(-c2ccc3nc([C@@H]4CCCN(C(=O)c5cnccn5)C4)nn3c2)c1 306126472 DWUKSDSLFYNHKU-GOSISDBHSA-N 414.469 3.215 0 40 HGAB CC(C)n1nccc1[C@@H]1CN(C(=O)C2CC2)C[C@]12CCCN(Cc1ccncc1)C2=O 306132538 LLPUKBCUWBRNHT-GBXCKJPGSA-N 421.545 3.004 0 40 HGAB O=C(CCc1ccc2c(c1)OCO2)N1N=C(c2ccccc2)C[C@@]1(O)C(F)(F)F 408563596 PGDZQWICVLQCHN-LJQANCHMSA-N 406.360 3.235 0 40 HGAB COc1ccc(Cl)cc1S(=O)(=O)N[C@H](C)C(=O)Nc1ccccc1SC 408621723 LZFPZNWJEMAHEX-LLVKDONJSA-N 414.936 3.376 0 40 HGAB CC[C@H](OC(=O)[C@H]1CC(=O)N(c2ccc(OC)cc2OC)C1)C(=O)c1ccccc1 408654521 QSVVHKQSUCATEL-LPHOPBHVSA-N 411.454 3.261 0 40 HGAB CC(C)CNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(F)c(Cl)c2)cc1 409204182 CWFNTNDYSCLDIP-UHFFFAOYSA-N 414.886 3.431 0 40 HGAB Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2S(=O)(=O)c1c(C)nn(C(C)C)c1C 530538454 PQKQRHGEBUNIGB-UYAOXDASSA-N 402.564 3.386 0 40 HGAB COc1ccc(-c2nn(CCNC(=O)Nc3cccc(C)c3)c(=O)n2C2CC2)cc1 585199191 GQACUQOZWJGDNV-UHFFFAOYSA-N 407.474 3.185 0 40 HGAB O=C(c1ccccc1C(F)(F)F)N1CCC(Cn2nc3c(cc2=O)CCC3)CC1 585503038 RNVKUJKIYDQJIK-UHFFFAOYSA-N 405.420 3.303 0 40 HGAB Cc1cnn(CC(=O)N2CCC[C@]3(CCCCCOc4ccccc4C(=O)NC3)C2)c1 643559265 AALLKSGKMVFJJL-DEOSSOPVSA-N 424.545 3.183 0 40 HGAB O=C(CCc1ccccc1Br)NC[C@@H](O)c1ccc(-n2cccn2)cc1 1888962970 HQWNHRHNCNLWAE-LJQANCHMSA-N 414.303 3.417 0 40 HGAB Cc1cnc(N(C)[C@@H]2CCCN(C(=O)Cc3ccccc3Br)C2)nc1 1889186495 TVLLGFUKWCMFCE-MRXNPFEDSA-N 403.324 3.217 0 40 HGAB CCOc1ccc(NC(=O)C[C@@H]2C(=O)N(C)C(=S)N2CCc2ccccc2)cc1 2225669 YRGZQUMHGVEJKQ-LJQANCHMSA-N 411.527 3.084 0 40 HGAB Cc1c(Br)c(C(F)F)nn1CC(=O)N[C@@H](C)CN1CCC(C)CC1 2781560 WZOWYOIHTLSVEK-NSHDSACASA-N 407.303 3.128 0 40 HGAB C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(F)cc3F)cc2)C[C@H](C)O1 3203337 UQOLMNSQHVHIPD-STQMWFEESA-N 410.442 3.015 0 40 HGAB O=C(COC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1)NCc1cccs1 3368920 ZQARKYWRVFOCLM-UHFFFAOYSA-N 420.446 3.022 0 40 HGAB COC[C@@H](C)n1c(SCCCn2c(=O)[nH]c3ccccc32)nc2ccccc2c1=O 3568188 VUQMUEQJLUZFOE-OAHLLOKOSA-N 424.526 3.429 0 40 HGAB O=C1C(Nc2cccc(Br)c2)=C(N2CCOCC2)C(=O)c2ccccc21 4360394 HQSYVFGVSTXTJB-UHFFFAOYSA-N 413.271 3.484 0 40 HGAB CCc1ccc(CNc2nc(NCc3ccc(CC)cc3)n(S(C)(=O)=O)n2)cc1 4703245 BIRRTSFLRZHYIT-UHFFFAOYSA-N 413.547 3.435 0 40 HGAB COC(=O)c1cc(NC(=O)c2ccc(OC)c(Cl)c2)ccc1N1CCOCC1 4711492 CVAFJEJWDXRXJX-UHFFFAOYSA-N 404.850 3.224 0 40 HGAB CC(C)NC(=O)CSc1nc2ccccc2n1CC(=O)N1[C@@H](C)CCC[C@@H]1C 4859218 XJXNRZOYTJHWBF-HOTGVXAUSA-N 402.564 3.443 0 40 HGAB CCOC(=O)c1c(NC(=O)c2ccc(NS(C)(=O)=O)cc2)sc2c1CCC2 4941231 ZEDMYDWUQAGEAJ-UHFFFAOYSA-N 408.501 3.037 0 40 HGAB CCOC(=O)[C@@H]1CCCN(C(=O)COc2ccc(C(=O)c3ccc(F)cc3)cc2)C1 5021059 JKAKOUXYTGCDTR-GOSISDBHSA-N 413.445 3.237 0 40 HGAB C[C@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)O[C@@H]2CCCCC2=O)c1 5788033 FBTCBWTUOPNZCP-YCRPNKLZSA-N 413.495 3.495 0 40 HGAB CCOc1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(OC)cc2)C1 6439889 XZSZWDOWTUNYKZ-MRXNPFEDSA-N 418.515 3.133 0 40 HGAB COc1ccc2c(C)c(CC(=O)N3CCN(c4ccccc4)CC3)c(=O)oc2c1OC 6660938 BRVATUMCATXAHH-UHFFFAOYSA-N 422.481 3.010 0 40 HGAB C[C@@H]1CCc2c(sc(NC(=O)CSc3ccc4c(c3)OCCO4)c2C(N)=O)C1 6916330 QATUIIRTSAUCHX-LLVKDONJSA-N 418.540 3.474 0 40 HGAB CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)Nc2ccc3c(c2)CCC3)cc1 7279319 OLJOFHCHMZNOEC-OAHLLOKOSA-N 401.532 3.301 0 40 HGAB COc1ccc(C)cc1-n1nnnc1S[C@@H](C)C(=O)N1CCc2ccccc2C1 7584557 FHHCBASFKKDJMD-HNNXBMFYSA-N 409.515 3.045 0 40 HGAB O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)CCC1=O)c1ccccc1 7881755 IQAXZHJWYBLNCE-UHFFFAOYSA-N 405.237 3.383 0 40 HGAB CCN(C(=O)CSc1nnc(COc2ccc(C)cc2C)n1N)C1CCCCC1 7934381 CVFRDFHETSMZJP-UHFFFAOYSA-N 417.579 3.461 0 40 HGAB CCOc1cc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCOC)ccc1O 8254281 XBKOXYNMROACCY-FQEVSTJZSA-N 409.438 3.479 0 40 HGAB CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)CCNC(=O)c1ccccc1 8294426 LDXMBPHPPNGWQA-UHFFFAOYSA-N 408.285 3.210 0 40 HGAB O=C(Cc1ccc(-c2ccccc2)cc1)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 8324111 GBNAANSNPXGVDK-FCHUYYIVSA-N 413.539 3.091 0 40 HGAB C[C@@H](C(=O)Nc1ccc2c(c1)CCC2)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 8328831 HIUQQGLVLDDPSV-INIZCTEOSA-N 404.514 3.482 0 40 HGAB Cc1ccc(Cn2c(-c3ccc(C)cc3)cn3c4c(=O)n(C)c(=O)n(C)c4nc23)cc1 8656859 VNSOTCLZLGOWAA-UHFFFAOYSA-N 413.481 3.019 0 40 HGAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NCCn1nc(-c2ccco2)ccc1=O 8954672 UCALOZJQODVVER-LBPRGKRZSA-N 422.268 3.394 0 40 HGAB O=C(Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)[C@H]1Cc2ccccc2O1 9466221 MZFNJVUTJKWZEJ-HXUWFJFHSA-N 400.500 3.194 0 40 HGAB C[C@H](NC(=O)c1ccc(-n2cnc3ccccc32)cc1)c1ccc(S(N)(=O)=O)cc1 9671122 ZORDFGHJMOXENQ-HNNXBMFYSA-N 420.494 3.164 0 40 HGAB Cc1ccc(-c2csc(NC(=O)CSc3nnc(-c4cccnc4)n3N)n2)cc1 9707788 VGIHFJPHABNLBX-UHFFFAOYSA-N 423.527 3.217 0 40 HGAB Cc1cc(=O)c(C(=O)NCCCn2cnc3ccccc32)nn1-c1ccccc1Cl 9950037 VJYMVPOWKCJMKW-UHFFFAOYSA-N 421.888 3.364 0 40 HGAB CC(C)Cn1nc(C(=O)Nc2sc3c(c2C(N)=O)CCCC3)c2ccccc2c1=O 9962371 WRIMOKQQCIJZGC-UHFFFAOYSA-N 424.526 3.344 0 40 HGAB COc1ccc(C(=O)Cn2c(=O)n(-c3ccccc3)c(=O)c3ccccc32)cc1OC 10338756 WJPXZWALMOJPPZ-UHFFFAOYSA-N 416.433 3.053 0 40 HGAB Cc1c(C)c(C)c(S(=O)(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)c(C)c1C 10518371 JWTPLHCZZKEONV-UHFFFAOYSA-N 422.572 3.470 0 40 HGAB COc1ccc([C@@H](O)CN2CCC3(CC2)C[C@@H](O)c2cc(C)ccc2O3)cc1OC 12329671 JGKMQMAJQMCTGP-UXHICEINSA-N 413.514 3.396 0 40 HGAB CCc1ccc(S(=O)(=O)N2CCN(c3ccc(-c4cccs4)nn3)CC2)s1 12443579 GJSMOWQYEXQVJE-UHFFFAOYSA-N 420.585 3.340 0 40 HGAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2 12780197 KOOSQFXVGJPXTG-UHFFFAOYSA-N 417.444 3.009 0 40 HGAB COc1ccc(C)cc1N1C[C@@H](C(=O)O[C@@H](C)C(=O)N(C)C2CCCCC2)CC1=O 12804002 PFBILDULXJYONO-IRXDYDNUSA-N 416.518 3.079 0 40 HGAB C[C@@H](C(=O)Nc1cc(F)ccc1F)N1CCC(C(=O)NCc2ccccc2)CC1 12806042 VHGXSZZSMKKHLC-HNNXBMFYSA-N 401.457 3.320 0 40 HGAB COc1ccc(S(=O)(=O)N(C)Cc2ccc3c(c2)OCO3)cc1Br 12913447 SVSMTIKHANFOEM-UHFFFAOYSA-N 414.277 3.007 0 40 HGAB Cc1nc(Nc2ccc3c(c2)OCCO3)nc2c1ncn2-c1ccc2c(c1)OCCO2 13532896 NUJIPRWTCGNANP-UHFFFAOYSA-N 417.425 3.410 0 40 HGAB O=C(Cc1csc(NS(=O)(=O)c2ccc(Cl)cc2)n1)Nc1cccc(O)c1 13683272 AZJIPXRSJZDVOR-UHFFFAOYSA-N 423.903 3.484 0 40 HGAB O=C1NC2(CCCCC2)C(=O)N1Cc1nc(-c2cccc(Br)c2)no1 15552154 GWRSNGIMZIMADL-UHFFFAOYSA-N 405.252 3.254 0 40 HGAB CN(C)S(=O)(=O)c1ccc(C(=O)OCC(=O)c2ccc(Cl)c(Cl)c2)cc1 16207199 CZQJOHGIOZJSDA-UHFFFAOYSA-N 416.282 3.283 0 40 HGAB CCCCCC(=O)NC(=S)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1 17088217 IXMQDGXWUZYPRW-UHFFFAOYSA-N 409.424 3.486 0 40 HGAB COc1ccccc1N1C[C@H](c2cc(=O)[nH]c(NCc3ccccc3C)n2)CC1=O 19237285 NXGMUWZWGLOOEV-QGZVFWFLSA-N 404.470 3.220 0 40 HGAB Cn1ccnc1[C@H](c1ccccc1)N1CCN(C(=O)[C@H]2CCN2C2CCCCC2)CC1 19291298 ATHZOPWLUAKWTM-PKTZIBPZSA-N 421.589 3.061 0 40 HGAB COc1ccc2[nH]c(C)c(C(=O)CN3CCN(Cc4ccc5c(c4)OCO5)CC3)c2c1 19371337 YBXQCXOGTRIAST-UHFFFAOYSA-N 421.497 3.214 0 40 HGAB CCOc1ccccc1CN1CCC2(CC1)C[C@]1(CO2)NC(=O)c2ccccc2N1 19520172 SOASZPMVXMYUAS-XMMPIXPASA-N 407.514 3.392 0 40 HGAB COc1ccc(CN2CCC[C@H](c3nc(-c4ccccn4)cc(=O)[nH]3)C2)c(OC)c1 19552303 DKHVIKINJJXHSI-KRWDZBQOSA-N 406.486 3.229 0 40 HGAB COc1ccc([C@@H]2CN(C(=O)c3sc(C)nc3C)C[C@H]2c2cc(=O)[nH]c(C)n2)cc1 19560173 YFTKWDDBVQSGCK-ZWKOTPCHSA-N 424.526 3.184 0 40 HGAB COc1ccccc1CN1CCC[C@H](c2cc(C(=O)NCc3ccncc3)on2)C1 19570314 NHMPQEIFWHGLOZ-SFHVURJKSA-N 406.486 3.388 0 40 HGAB COc1ccc(C)cc1N1C[C@H](C(=O)NCCc2nc(C(C)(C)C)cs2)CC1=O 19715273 PMJLJRIDQURIIT-OAHLLOKOSA-N 415.559 3.469 0 40 HGAB COc1cccc(CNC(=O)c2cnc([C@@H]3CCCN(C(=O)C4CCC4)C3)nc2C)c1 19753636 BEINPIVYNDDFDB-LJQANCHMSA-N 422.529 3.230 0 40 HGAB O=C(NCCc1ccccc1)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2Cl)C1 19859623 HHGYGONRJAYLCO-GOSISDBHSA-N 420.962 3.241 0 40 HGAB COc1cc(CNCCN2CCOCC2)ccc1OCc1ccc(F)cc1Cl 19872258 KPBPPCIACHDPCH-UHFFFAOYSA-N 408.901 3.489 0 40 HGAB CCN1CCN(CCOc2ccc3cc(-c4ccc(OC)cc4)c(=O)oc3c2)CC1 20573747 QBVNJXQDSANOSJ-UHFFFAOYSA-N 408.498 3.485 0 40 HGAB biogenic Cn1cccc1[C@@H](CNC(=O)COc1ccccc1F)N1CCc2ccccc2C1 21151920 JCNBEBCBIDWHLM-JOCHJYFZSA-N 407.489 3.459 0 40 HGAB CCN1CCN(c2ccc(NC(=O)CCc3nc(-c4ccncc4)no3)cc2C)CC1 22320330 NHCSQZCFNVGBPT-UHFFFAOYSA-N 420.517 3.153 0 40 HGAB Cc1ccc(CNC(=O)C(=O)NC[C@@H](c2ccco2)N2CCc3ccccc3C2)cc1 22907273 NKJABBHHRCMOQJ-QFIPXVFZSA-N 417.509 3.120 0 40 HGAB Cc1ccc(C)c(C(=O)[C@H](C)OC(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)c1 23062413 JTBCHQZDKOPMSP-HNNXBMFYSA-N 401.484 3.172 0 40 HGAB Cc1ccc(NC(=O)CN(C)C(=O)CN2CCn3cccc3[C@@H]2c2ccccc2)cc1 26163298 UBGXVHWQIUXREF-VWLOTQADSA-N 416.525 3.299 0 40 HGAB COc1ccc(-c2noc(CN3CCN(C(=O)c4cc(C)cc(C)c4)CC3)n2)cc1 27449011 HSNPKRAMCXVBSI-UHFFFAOYSA-N 406.486 3.320 0 40 HGAB C[C@@H](NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1)c1ccc(F)cc1 30757184 JQGHMXJLRPLPKT-OAHLLOKOSA-N 422.497 3.384 0 40 HGAB CCOC(=O)c1cc(C)n(CC(=O)Nc2cc(C(=O)N(C)C)ccc2Cl)c1C 31733563 VSJJFGUTHWXYIE-UHFFFAOYSA-N 405.882 3.276 0 40 HGAB COC(=O)c1c(NC(=O)[C@H]2CC(=O)N(c3cccc(OC)c3)C2)sc(C)c1C 32759945 KZRIFGSLYGENQT-ZDUSSCGKSA-N 402.472 3.152 0 40 HGAB COc1ccc(NC(=O)c2ccc(C(C)=O)s2)cc1S(=O)(=O)N1CCCCC1 32768170 HUKJFXXPSGBZOY-UHFFFAOYSA-N 422.528 3.386 0 40 HGAB C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1cccnc1OCC(F)(F)F 32796908 MDGGHMJDWQEXAH-CYBMUJFWSA-N 405.380 3.437 0 40 HGAB C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)N1CCN(C(=O)C2CC2)CC1 32797246 APVJOHVILUPOGG-LLVKDONJSA-N 403.832 3.240 0 40 HGAB COc1ccc(C[C@@H](NC(=O)C[C@@H]2C=CS(=O)(=O)C2)c2ccc(OC)cc2)cc1 32808847 MXIHIZGJCWZSLB-LAUBAEHRSA-N 415.511 3.052 0 40 HGAB Cc1ccccc1OCc1nnc(SCCN2CCOCC2)n1Cc1ccco1 35313005 AWUGRRUNSCHLDI-UHFFFAOYSA-N 414.531 3.231 0 40 HGAB CCc1ccc(NC(=O)[C@H](CCSC)NC(=O)[C@H]2Cc3ccccc3CN2)cc1 36550282 SFAJBHFFAZTTBJ-LEWJYISDSA-N 411.571 3.140 0 40 HGAB COc1ccc(-c2cc(C(=O)NCCCn3nccc3C)c3c(C)nn(C)c3n2)cc1 36613420 MRPYQJVTIKWPDC-UHFFFAOYSA-N 418.501 3.277 0 40 HGAB CS(=O)(=O)N1CCC(C(=O)N[C@@H](c2ccccc2)c2cc3ccccc3o2)CC1 40034524 AKXQEVYZQFUTDT-NRFANRHFSA-N 412.511 3.310 0 40 HGAB O=C(NC[C@@H](c1ccccc1Cl)N1CCOCC1)c1ccc2c(c1)OCCCO2 40074115 BYIYKKWRHTVRLB-IBGZPJMESA-N 416.905 3.305 0 40 HGAB CC(C)(C)C(=O)N[C@H](N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)C(Cl)(Cl)Cl 43751620 PPEDLGLAIQXYQN-YWPYICTPSA-N 420.768 3.126 0 40 HGAB biogenic CCN(CC)CCN(Cc1cccs1)S(=O)(=O)c1cccc2nsnc12 48325690 CFPOQWZOTMWHIK-UHFFFAOYSA-N 410.590 3.286 0 40 HGAB CN(C)C(=O)c1ccc(NC(=O)c2cccc(NC(=O)[C@@H]3CCCO3)c2)cc1Cl 56436604 PHJIHNWJWNGTKD-SFHVURJKSA-N 415.877 3.412 0 40 HGAB CCN1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2OC)CC1 58148907 YLRJRYDBGUQXOI-UHFFFAOYSA-N 420.513 3.334 0 40 HGAB COc1ccc(-c2cc3c(N4CCN(c5ccccn5)CC4)nccn3n2)cc1OC 67285375 RROLAAZMGXOCSU-UHFFFAOYSA-N 416.485 3.135 0 40 HGAB CC(C)CCNC(=O)CSc1nc(O)c2c(n1)CCN(Cc1ccc(F)cc1)C2 67291509 RPDWJUXSQWRBPI-UHFFFAOYSA-N 418.538 3.134 0 40 HGAB O=C1C[C@@H](Cc2ccc(NC(=O)NCc3cccc(C(F)(F)F)c3)cc2)C(=O)N1 72309684 UMGCESQBPDTMDQ-CQSZACIVSA-N 405.376 3.232 0 40 HGAB O=C(c1ccncc1)N1CC[C@@H](c2c(C(=O)N3CCOCC3)sc3ccccc23)C1 72356092 SYUZCLYUULQZGF-QGZVFWFLSA-N 421.522 3.398 0 40 HGAB CCc1nnc(Nc2cccc(C3CCN(CC(=O)N4CCCC4)CC3)n2)s1 72376133 KAELLHRFQKWPML-UHFFFAOYSA-N 400.552 3.041 0 40 HGAB O=C(CCn1nnc2ccccc21)N[C@H]1CCCc2c1cnn2Cc1ccccc1 72396243 MNWWIWMDUTZEDE-IBGZPJMESA-N 400.486 3.260 0 40 HGAB COc1ccccc1Cn1ncc2c1CCC[C@@H]2NC(=O)Cc1ccc2c(c1)OCO2 72396992 ASMAITDKQPYJLG-IBGZPJMESA-N 419.481 3.405 0 40 HGAB Cc1nc(N2CCCC2)sc1C(=O)Nc1cccc(N2CCCCS2(=O)=O)c1 72399272 HYMGZUCBRSHGCN-UHFFFAOYSA-N 420.560 3.234 0 40 HGAB C[C@H]1CN(C(=O)c2ccc(CNC(=O)c3ccc4ccccc4n3)cc2)C[C@@H](C)O1 84705953 AHTHVNMVOZZMLY-CALCHBBNSA-N 403.482 3.414 0 40 HGAB CCN(CC)C(=O)c1nc2c(s1)CCN(C(=O)Nc1cccc(OC)c1)CC2 96147050 AEVPXSIRYSUFSX-UHFFFAOYSA-N 402.520 3.266 0 40 HGAB COCCn1/c(=N\C(=O)c2ccccc2S(C)(=O)=O)sc2c(C)cc(C)cc21 101041705 HVABPFQNLMGJBE-QZQOTICOSA-N 418.540 3.111 0 40 HGAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)COC(=O)CNC(=O)c1ccc(Cl)cc1Cl 102167988 DSYKRDJVJRYPEY-BFQNTYOBSA-N 415.317 3.207 0 40 HGAB Cc1cc(C)n(Cc2ccc(C(=O)N[C@H](C)c3ccc(S(C)(=O)=O)cc3)cc2)n1 148692408 FXBHJUDUUPEZIR-QGZVFWFLSA-N 411.527 3.443 0 40 HGAB O=C(NCCO)[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)CCc1ccccc1 223355715 BBKMRKHGIFBPRA-RUZDIDTESA-N 416.521 3.498 0 40 HGAB COC(=O)c1cccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCO)o2)c1 223601447 YTGDPDCRLVPKJO-WOJBJXKFSA-N 423.494 3.093 0 40 HGAB COc1ccccc1N(CC(=O)Nc1ccc2c3c(cccc13)CC2)S(C)(=O)=O 223821327 ALBSHVYOQUMMCG-UHFFFAOYSA-N 410.495 3.352 0 40 HGAB CC[C@@H](C(=O)NCCOc1cc(C)ccc1C)N(c1ccc(F)cc1)S(C)(=O)=O 224018446 UDZCSRSOJRWZFZ-IBGZPJMESA-N 422.522 3.182 0 40 HGAB CC[C@H](NC(=O)CN(Cc1ccccc1Cl)S(C)(=O)=O)c1ccc(OC)cc1 224431797 RRRVMBYDSMNJHM-IBGZPJMESA-N 424.950 3.378 0 40 HGAB O=S(=O)(c1c(F)cccc1F)N1CC[C@H](Oc2cc(C(F)(F)F)ccn2)C1 225736768 GZQHYFFBVBPZOQ-NSHDSACASA-N 408.348 3.221 0 40 HGAB Cc1c(Cl)cccc1NC(=O)C(=O)NC[C@@](O)(c1ccoc1)c1cccs1 253471882 GKBWTCGDZAQBLJ-LJQANCHMSA-N 404.875 3.294 0 40 HGAB CCN(CC)CCCNC(=O)[C@@H]1C[C@H]2CC[C@@]1(C)C[C@]21NC(=O)c2ccccc2N1 257307978 TUYHGGPPOAAHBO-APNMAYFZSA-N 412.578 3.213 0 40 HGAB COc1cc(OC(F)(F)F)ccc1CN1CC(F)(F)C[C@@]2(CCCNC2=O)C1 306127885 GJVUAKKBNWMLCP-INIZCTEOSA-N 408.367 3.331 0 40 HGAB CCOc1cc(/C=C2/NC(=O)N(CC(=O)OC)C2=O)ccc1OCc1ccc(C)cc1 408549766 YQYSFRDISAACEO-WOJGMQOQSA-N 424.453 3.038 0 40 HGAB O=C(Nc1ccc2nc(N3C(=O)c4ccccc4C3=O)sc2c1)Nc1nncs1 409125090 JANJOJAGSJRKHN-UHFFFAOYSA-N 422.451 3.592 0 40 HGAB C[C@H]1c2nc(CC(=O)NC3CCCC3)cn2CCN1C(=O)c1cc2ccccc2[nH]1 585097657 MHEFFZJTQSSFGH-HNNXBMFYSA-N 405.502 3.183 0 40 HGAB Cc1nc(-c2ccc(S(=O)(=O)NC[C@@H](c3ccsc3)n3cccn3)cc2)co1 618255886 KLDJQYUZZPORHI-IBGZPJMESA-N 414.512 3.476 0 40 HGAB COC[C@H]1C[C@@H](O)CN1C(=O)Nc1csnc1-c1cccc(C(F)(F)F)c1 1627625314 RVPFJUYRMCGDIU-CHWSQXEVSA-N 401.410 3.442 0 40 HGAB O=C(c1cccc(Cl)c1)N1CCc2ccc(=O)n(CC3CCOCC3)c2CC1 2055781415 BRALAMMWHMWSLR-UHFFFAOYSA-N 400.906 3.169 0 40 HGAB O=C([C@H]1CC(=O)N(c2ccc(OCc3ccccc3Cl)cc2)C1)N1CCOCC1 1102344 YNZODOVTRMBTAG-KRWDZBQOSA-N 414.889 3.131 0 40 HGAB O=C1[C@H]2CCCN2C(=O)N1CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 2183629 VOKYQDLXICROPY-GOSISDBHSA-N 424.467 3.034 0 40 HGAB CCn1c(SCC(=O)Nc2ccccc2)nc2nc3c(cc2c1=O)COC(C)(C)C3 2396779 VRKHRJNPIJWJNG-UHFFFAOYSA-N 424.526 3.394 0 40 HGAB CC(C)[C@@H]1N=C2c3ccccc3N=C(SCc3cc(=O)n4ccccc4n3)N2C1=O 2965403 YXMIJFMBCUFLES-IBGZPJMESA-N 417.494 3.242 0 40 HGAB CC[C@@H](CO)NC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2 3229557 XEIVBQVJLBBEHF-JARZOMNASA-N 419.481 3.211 0 40 HGAB CCCCN1C(=O)c2ccc(C(=O)OCC(=O)Nc3cc(C)ccc3OC)cc2C1=O 3309029 FCGXYQZUUMDKNY-UHFFFAOYSA-N 424.453 3.195 0 40 HGAB COc1ccc(CCNC(=O)CSCc2nc3sc(C)c(C)c3c(=O)[nH]2)cc1 3382105 DANHJVHBSXRCPZ-UHFFFAOYSA-N 417.556 3.202 0 40 HGAB COc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)cc1Cl 3422682 CTVCHIVWZAOXTL-UHFFFAOYSA-N 414.936 3.450 0 40 HGAB Nc1cccc(C(=O)C[C@]2(O)C(=O)N(Cc3ccc4c(c3)OCO4)c3ccccc32)c1 4107157 CUDYBZQGTJOHJV-XMMPIXPASA-N 416.433 3.005 0 40 HGAB COc1ccc(-n2nnc3c(SCC(=O)Nc4ccc(F)cc4)ncnc32)cc1 4166754 QQWLGDRWKWUGLB-UHFFFAOYSA-N 410.434 3.089 0 40 HGAB CCCOc1ccc(C(=O)N(Cc2ccc(F)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 4186449 DUENQHDLTQCKOB-LJQANCHMSA-N 405.491 3.444 0 40 HGAB COc1ccccc1-n1cnnc1SCC(=O)Nc1ccc2c(c1)OCCCO2 4894796 BUBMSQMUDGAPAI-UHFFFAOYSA-N 412.471 3.168 0 40 HGAB CCOC(=O)c1ccc(NC(=O)Cn2nc(-c3ccc(C)c(C)c3)ccc2=O)cc1 5401652 KSJDBTADMSZPMT-UHFFFAOYSA-N 405.454 3.343 0 40 HGAB CCOc1cc(C(=O)OCC(=O)NCc2ccccc2)cc(OCC)c1OCC 5412956 FYWPOYWWGGGFDR-UHFFFAOYSA-N 401.459 3.356 0 40 HGAB COc1ccc(-c2noc(CN(C)C(=O)/C=C/c3ccc(OC)c(OC)c3)n2)cc1 5425651 KSUMMICXTCRLPZ-WUXMJOGZSA-N 409.442 3.434 0 40 HGAB Cc1cc(Cl)cc(C)c1OCC(=O)O[C@H](C(=O)N1CCOCC1)c1ccccc1 5472424 VSSJKKYIACDTRE-NRFANRHFSA-N 417.889 3.479 0 40 HGAB Cc1ccc(CN(C(=O)COc2ccc(C(C)C)cc2)[C@@H]2CCS(=O)(=O)C2)o1 6810366 PTEKXXXIIUKCIS-GOSISDBHSA-N 405.516 3.306 0 40 HGAB Cc1ccc(-n2nc(C)c(C(=O)Nc3ccccc3N3CCN(C)CC3)n2)c(C)c1 7719044 DYBWORZBLLNDHC-UHFFFAOYSA-N 404.518 3.197 0 40 HGAB COc1ccc(NC(=O)COc2ccc(C(=S)N3CCCC3)cc2OC)cc1 8157542 AAKIRXLJEYJVQT-UHFFFAOYSA-N 400.500 3.493 0 40 HGAB COc1cc(/C=C/C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)cc(OC)c1OC 8893052 AVFYYTSZNIDXLE-BLGFXRMMSA-N 424.453 3.019 0 40 HGAB COc1cccc(NC(=O)Cn2nc(-c3ccccc3)c3sc(C)nc3c2=O)c1 8954992 JSKNQMSVPYNTKP-UHFFFAOYSA-N 406.467 3.476 0 40 HGAB O=C(Nc1ccc(OC(F)(F)F)cc1)[C@@H]1CCCN(c2ncnc3[nH]cnc23)C1 9060021 SDQBTNLRGFJQRS-LLVKDONJSA-N 406.368 3.107 0 40 HGAB CC(C)Cn1cnc2c1c(=O)n(Cc1ccccc1F)c(=O)n2Cc1ccccc1 9155455 XIEPTVGJMKNUSJ-UHFFFAOYSA-N 406.461 3.251 0 40 HGAB CCOc1ccccc1NC(=O)CSC1=NS(=O)(=O)c2ccc(C)cc2N1 9530217 GNTRVHLIAFEGIC-UHFFFAOYSA-N 405.501 3.236 0 40 HGAB COc1ccc(Cl)cc1N(CC(=O)NCCCc1ccc(C)cc1)S(C)(=O)=O 10110449 FRMYTJPJFPGPEG-UHFFFAOYSA-N 424.950 3.172 0 40 HGAB COc1ccc(CN(C)C(=O)CN(c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)cc1 10434316 YVAMPLUVEVCGDR-UHFFFAOYSA-N 418.559 3.417 0 40 HGAB O=S(=O)(NCc1ccccc1Cn1cccn1)c1ccccc1Br 10959216 WLVOUPNNCKHINS-UHFFFAOYSA-N 406.305 3.172 0 40 HGAB Cn1ccnc1C1(O)CCN(CC(=O)N(C2CCCCC2)C2CCCCC2)CC1 12114384 SPJIWLZXEJKBLB-UHFFFAOYSA-N 402.583 3.198 0 40 HGAB Cc1ccc(C)c(NC(=O)Cn2nc(C)c3cnn(-c4ccc(F)cc4)c3c2=O)c1 12228239 LPFRIUNLFVLKBQ-UHFFFAOYSA-N 405.433 3.285 0 40 HGAB COc1cc(CN2CC[C@H](c3cc4nc(C)c(C)c(O)n4n3)C2)cc(OC)c1OC 12255261 GBSHEMGUCQFYJW-INIZCTEOSA-N 412.490 3.067 0 40 HGAB COCCOc1ccc(CN2C[C@H]3C(c4ccccc4F)=NO[C@H]3C2)cc1OC 12327323 VJZZKAWLTLRZGT-UTKZUKDTSA-N 400.450 3.094 0 40 HGAB Cn1c(=O)oc2ccc(S(=O)(=O)Nc3cccc(C(=O)c4ccccc4)c3)cc21 12428027 DRXFEPNMLQSWEB-UHFFFAOYSA-N 408.435 3.163 0 40 HGAB O=C(OCc1nccn1C(F)F)c1ccc2c(=O)n3c(nc2c1)CCCCCC3 12547710 IDDHWEMSANOWCQ-UHFFFAOYSA-N 402.401 3.462 0 40 HGAB CC(C)(C)OC(=O)N[C@@H](CC(=O)O)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 12648385 AMYNHEBCBXEIAG-SJORKVTESA-N 406.479 3.403 0 40 HGAB CC(C)OC(=O)[C@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OC(C)C)[C@@H]1/C=C/c1ccccc1 12661239 WAWRHMOJAIJNCG-ROOWFIDRSA-N 402.487 3.175 0 40 HGAB CS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc1 12795685 GPRKSAYPBQOYTC-GOSISDBHSA-N 401.484 3.229 0 40 HGAB CN(CC(=O)Nc1ccccc1Cl)C(=O)COC(=O)CSc1ccc(F)cc1 12949377 DSBUZHVMOKHYBY-UHFFFAOYSA-N 424.881 3.212 0 40 HGAB C[C@H](CCc1ccccc1)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 14184416 GKDXOOWSXUCWBY-IEBWSBKVSA-N 418.534 3.364 0 40 HGAB O=C(Nc1nc2c(s1)CCC2)c1cccc(S(=O)(=O)N2CCCCCC2)c1 15636878 FGUCDFFEIUWMIR-UHFFFAOYSA-N 405.545 3.449 0 40 HGAB COc1ccc2nc(Nc3nc(-c4ccc(OC)c(OC)c4)cc(=O)[nH]3)nc(C)c2c1 17879120 XNXFIVUWJCVOOG-UHFFFAOYSA-N 419.441 3.458 0 40 HGAB O=C(Cc1ccc(Cl)cc1)N1CCC(c2cc(=O)[nH]c(-c3ccccn3)n2)CC1 19402886 JXVDFODZNZCMIY-UHFFFAOYSA-N 408.889 3.434 0 40 HGAB COc1cccc(CC(=O)N2CCCC[C@@H]2c2ccnc3nc(C(F)(F)F)nn23)c1 19564298 CZEJWMNLXDAZRH-OAHLLOKOSA-N 419.407 3.448 0 40 HGAB CC(C)(C)N1C[C@H](C(=O)Nc2nnc(CCOc3ccccc3Cl)s2)CC1=O 19659775 VZIWJJKNOUUVOL-GFCCVEGCSA-N 422.938 3.399 0 40 HGAB CN(C)c1ncc(-c2ccc(F)cc2)c([C@@H]2CCCCN2C(=O)c2ccnn2C)n1 19694351 YLHRLEWMVGHTPY-SFHVURJKSA-N 408.481 3.450 0 40 HGAB Cc1nn(C)cc1CN1CCC[C@H]1c1nc(C)c2c(n1)N(CCC(C)C)C(=O)CC2 19740658 PYGLHJRYTUFFGW-FQEVSTJZSA-N 410.566 3.489 0 40 HGAB CS(=O)(=O)N(Cc1ccc(C(=O)Nc2ccc(C(N)=O)cc2)cc1)c1ccccc1 20239583 BTIFUNISDQARQV-UHFFFAOYSA-N 423.494 3.004 0 40 HGAB COc1ccc(NC(=O)CN(c2c(C)cc(C)cc2C)S(C)(=O)=O)cc1OC 22382720 OBDJPAKBTUWKJR-UHFFFAOYSA-N 406.504 3.034 0 40 HGAB COc1cccc(/C=C/C(=O)Nc2cc(C(C)(C)C)nn2[C@H]2CCS(=O)(=O)C2)c1 22406853 BAZYFCDPJQOYBL-FDMDGMSGSA-N 417.531 3.201 0 40 HGAB Cc1cc(CN2CCN(Cc3nc4scc(-c5ccccc5)c4c(=O)[nH]3)CC2)no1 22774387 SFJXYSQDPBOPRW-UHFFFAOYSA-N 421.526 3.266 0 40 HGAB COc1cccc([C@H](CNC(=O)c2ccccc2Br)N2CCOCC2)c1 23106074 OYYFKDQERNFVMC-IBGZPJMESA-N 419.319 3.261 0 40 HGAB COC(=O)c1cc(OC)c(OC)cc1NS(=O)(=O)c1cccc2cc(C)cnc12 23371526 CGZXUGSVMOSCTD-UHFFFAOYSA-N 416.455 3.148 0 40 HGAB CCOC(=O)NC(=O)COC(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 25662038 RRWNDGQLXOPDST-UHFFFAOYSA-N 416.377 3.187 0 40 HGAB COCCN1CNC2=N[C@H](c3cc(Cl)ccc3F)n3c(nc4ccccc43)N2C1 31810501 LVUMJAABAVPMEI-SFHVURJKSA-N 414.872 3.018 0 40 HGAB CCN(C(=O)CCn1nnc2ccccc2c1=O)c1nc2cc(Cl)ccc2s1 32836613 ZGFBIMSSNKLWQA-UHFFFAOYSA-N 413.890 3.498 0 40 HGAB CN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)c1nn(-c2ccccc2F)c2c1CCC2 32924377 JEPQPGBRHPPVBG-UHFFFAOYSA-N 423.473 3.070 0 40 HGAB COc1cccc(COC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)c1 33871604 AVMCRJHBDNQMTD-UHFFFAOYSA-N 409.891 3.490 0 40 HGAB O=C(NC[C@H](c1ccco1)N1CCCC1)[C@H]1CCCN(C(=O)c2cccs2)C1 40058976 SUYKHUJUJDSJHG-DLBZAZTESA-N 401.532 3.147 0 40 HGAB COc1cc(I)c(Cl)cc1C(=O)NCC[C@H]1CCCO1 40086669 UDFZGMIHQMBMNE-SECBINFHSA-N 409.651 3.252 0 40 HGAB Cc1cc(=O)c(C(=O)NCCCCN2C[C@@H](C)C[C@@H](C)C2)nn1-c1ccccc1F 40108507 VHLLERWNNFLWKQ-CALCHBBNSA-N 414.525 3.168 0 40 HGAB Cn1ccnc1COc1ccc(C(=O)N2CCN(Cc3ccccc3F)CC2)cc1 40119732 TUYPYHRSVDLYMX-UHFFFAOYSA-N 408.477 3.096 0 40 HGAB CC1(C)NC(=O)N(CCC(=O)N[C@H](c2ccc(Cl)cc2)c2cccs2)C1=O 40122622 IHSZJYNOCVGBAX-MRXNPFEDSA-N 405.907 3.328 0 40 HGAB O=C(NCCCNC(=O)c1nc2ccccc2s1)c1ccc(Br)o1 40266267 QCXPHLLZXQZVHH-UHFFFAOYSA-N 408.277 3.202 0 40 HGAB COCCN(Cc1ccco1)C(=O)[C@@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 48333739 WRDCXPNZOGUQAG-MRXNPFEDSA-N 424.419 3.322 0 40 HGAB COc1ccc(C2=CCN(CC(=O)NC[C@H]3CCN(c4ccccc4)C3)CC2)cc1 51915891 JNHZELAZKJPERL-HXUWFJFHSA-N 405.542 3.427 0 40 HGAB COc1ccc([C@@H]2CCCN2CN2C(=O)NC3(CCCCCC3)C2=O)c(OC)c1 52583173 GBLAGLIGDLTNGQ-SFHVURJKSA-N 401.507 3.443 0 40 HGAB CCOC(=O)N[C@H](CNC(=O)[C@H](c1ccccc1)N1CCSCC1)CC(C)C 58223144 DVKNMBKMNWHXJO-OALUTQOASA-N 407.580 3.054 0 40 HGAB C[C@H]1CCCN(c2nc3ncn(CC(=O)N4CCCc5ccccc54)c(=O)c3s2)C1 67226032 WEDUJELKDYUBKR-HNNXBMFYSA-N 423.542 3.069 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)C2(c3ccccc3)CCC2)c1 72311834 XYSHIZNTNKLGPD-UHFFFAOYSA-N 402.516 3.483 0 40 HGAB COc1cccc(-c2cccc([C@@H]3CCCN(S(=O)(=O)c4cn(C)cn4)C3)n2)c1 72350319 RJWPNBLCXPSWSX-QGZVFWFLSA-N 412.515 3.059 0 40 HGAB CC(=O)N1CCC[C@@H](c2ccccc2CC2(C(N)=O)CCN(C3CCCC3)CC2)C1 72372435 GTLCCBPJLIFCEI-OAQYLSRUSA-N 411.590 3.465 0 40 HGAB COCCn1ccc2c(NC(=O)CCCn3cnc4ccccc4c3=O)cccc21 72400602 YUJTUQQNKWCDAZ-UHFFFAOYSA-N 404.470 3.417 0 40 HGAB Cc1ccc(SCC(=O)N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)cc1 89639217 MZXJZJMFXYNCDC-LFIBNONCSA-N 416.568 3.232 0 40 HGAB Cc1ccc(C(=O)N[C@@H](CCO)c2ccccc2)cc1S(=O)(=O)N1CCCCC1 89651175 GLPLISHTXZPNBB-FQEVSTJZSA-N 416.543 3.023 0 40 HGAB Cc1nc(-c2ccccc2Cl)sc1CNC(=O)c1ccc(S(N)(=O)=O)cc1 90593086 QPUDKYRBEIZADY-UHFFFAOYSA-N 421.931 3.349 0 40 HGAB COCCOc1ccc(S(=O)(=O)N[C@H](C)CC(=O)c2ccc(F)cc2)cc1C 95449611 XYPDYVGPAARRHH-OAHLLOKOSA-N 409.479 3.099 0 40 HGAB COC(=O)C[C@H](c1cnn(C)c1C)c1oc(CSc2ccccc2)cc(=O)c1O 95480702 HTZFVTSLMUSWJQ-MRXNPFEDSA-N 414.483 3.375 0 40 HGAB Cn1cnc(-c2ccc(NC(=O)c3cc(=O)[nH]c4ccc(Br)cc34)cc2)n1 96011113 DQEIBUZLBWAKJN-UHFFFAOYSA-N 424.258 3.338 0 40 HGAB CC(C)Cn1nc(CC(=O)N[C@@H](C)c2nc3ccccc3[nH]2)c2ccccc2c1=O 96118751 MVFRINQQXFBOOM-HNNXBMFYSA-N 403.486 3.349 0 40 HGAB O=C([C@H]1C[C@@H]2C=C[C@@H]1C21CC1)N1CCC[C@@H]([C@@H]2C[C@H](C(F)F)n3ncnc3N2)C1 100151316 RJUQHNSGOGRRGE-LGNVQCELSA-N 403.477 3.109 0 40 HGAB NC(=O)c1c(NC(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)O)sc2c1CCc1ccccc1-2 102334767 PRHHEYSSZNRQCJ-RKLWJJNISA-N 410.495 3.298 0 40 HGAB CC[C@H](C(=O)Nc1ccc2c(c1)OCO2)N(c1cc(C)ccc1C)S(C)(=O)=O 220536442 BECABGMMGLUWMJ-MRXNPFEDSA-N 404.488 3.215 0 40 HGAB C[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCc1ccc2ccccc2c1 222818900 FSNMJPSLDDULCY-INIZCTEOSA-N 412.511 3.319 0 40 HGAB COc1ccc(C(=O)N2C[C@H](C(=O)NCCc3ccccc3)Oc3ccccc32)cc1 222948022 XCIRCEGJNSZXBY-HSZRJFAPSA-N 416.477 3.462 0 40 HGAB Cc1cc(C)c(NC(=O)COc2ccc(S(=O)(=O)NC3CC3)cc2C)c(C)c1 223057675 QKOZVWUCCIDCNK-UHFFFAOYSA-N 402.516 3.378 0 40 HGAB Cc1ccc(CS(=O)(=O)N2CCC(C(=O)NCCc3ccc(F)cc3)CC2)cc1 224351269 FUHGBTDHYKHEGM-UHFFFAOYSA-N 418.534 3.035 0 40 HGAB CCOc1ccc(C(=O)NC2CC2)cc1CN(C)S(=O)(=O)c1ccc(Cl)cc1 224830882 DTEQUBLBHOYQAK-UHFFFAOYSA-N 422.934 3.452 0 40 HGAB CCN(c1ccc(C(=O)N[C@@H](C)c2cc(OC)ccc2OC)cc1)S(=O)(=O)CC 225293351 SOMCTJJEODPINO-HNNXBMFYSA-N 420.531 3.371 0 40 HGAB C[C@H]1CCc2c(sc(NC(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C(=O)O)c2C(=O)NC2CC2)C1 225764736 NMGHWFRUXCRMIJ-KOFBORESSA-N 414.527 3.227 0 40 HGAB Cc1n[nH]c(C)c1CCC(=O)N1CCO[C@H](c2ccc(Nc3ccccn3)cn2)C1 257210935 BWTXHDMXWGEWTK-FQEVSTJZSA-N 406.490 3.093 0 40 HGAB Cc1noc(C)c1CCC(=O)N1CC[C@H](Oc2cccc(Cl)c2)[C@@H](CC(N)=O)C1 257247816 JAQNSFPGCGADFC-KXBFYZLASA-N 419.909 3.049 0 40 HGAB CN(C)C(=O)[C@@]1(c2ccccn2)CCCN1Cc1cccc(Oc2ncccn2)c1 257284453 PCTQCWMJWVLJLN-QHCPKHFHSA-N 403.486 3.243 0 40 HGAB O=C(NC[C@H]1CCCO1)c1nc([C@@H]2CCCN2C(=O)c2ccccc2)n2ccccc12 306136234 PNPBAHJSSDOLJL-QUCCMNQESA-N 418.497 3.220 0 40 HGAB COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H](C(=O)NC2CCCCC2)C1 408556530 DJFOMYNPXJZBFT-AWEZNQCLSA-N 414.955 3.198 0 40 HGAB CC1=C(C(N)=O)[C@@H](c2ccccc2)NC(SCC(=O)Nc2c(C)cccc2C)=N1 408989367 KKTDJLJMUMNPCO-HXUWFJFHSA-N 408.527 3.435 0 40 HGAB CC1CCN([C@H](CNC(=O)Cn2cc(Br)cn2)c2ccccc2)CC1 517464463 YUNQYJHIEMZCQT-GOSISDBHSA-N 405.340 3.235 0 40 HGAB Cc1nc2c(s1)[C@H](N(C)S(=O)(=O)c1cccc(C(=O)NC3CC3)c1)CCC2 521169299 OLHSMBMQXSIESY-QGZVFWFLSA-N 405.545 3.042 0 40 HGAB CCNC(=O)COc1cccc(CNc2nc(-c3ccccn3)nc3c2CCC3)c1 530730276 GXPMGLDMJXAEHJ-UHFFFAOYSA-N 403.486 3.154 0 40 HGAB CC[C@H](C)[C@H](NC(C)=O)C(=O)N1CCC(c2noc(-c3ccccc3OC)n2)CC1 560655089 LNKHSYFKDMKNKK-LIRRHRJNSA-N 414.506 3.002 0 40 HGAB CC(C)C[C@@H](O)C(=O)N1CCC[C@@]2(CCCN2c2ncnc3ccsc23)CC1 585100848 YQZRYVQCECSOMQ-DYESRHJHSA-N 402.564 3.450 0 40 HGAB O=C(Nc1cnn(CCN2CCOCC2)c1)c1cccnc1Sc1ccccc1 590723453 GVVIHDNKEJXOAQ-UHFFFAOYSA-N 409.515 3.014 0 40 HGAB COc1ccc(CN2CCC3(CC2)CC(=O)N(CC2CC2)c2cc(C)nn23)c(OC)c1 1772596559 SSKJLEGTGNBJMO-UHFFFAOYSA-N 424.545 3.347 0 40 HGAB CCCN1CCN(C(=O)CNC)C[C@@H](Cc2ccccc2-c2ccc(C)cc2)C1=O 1848354154 WFWNGUXTJBNBAB-JOCHJYFZSA-N 407.558 3.121 0 40 HGAB CS(=O)(=O)c1ccc2nc(NC(=O)c3cncc(Br)c3)sc2c1 953137 WPNCCIOPXUFVDJ-UHFFFAOYSA-N 412.290 3.110 0 40 HGAB COc1ccccc1N1CCN(C(=O)/C=C/c2c(Cl)nc3sccn23)CC1 3235930 MGGGTIOJIALGKO-VOTSOKGWSA-N 402.907 3.420 0 40 HGAB COC(=O)c1cc(NC(=O)CSc2nc3ccccc3o2)cc(C(=O)OC)c1 3411269 VERUACXEPQHRCC-UHFFFAOYSA-N 400.412 3.132 0 40 HGAB O=C(CSc1nc(-c2ccccc2)cs1)NN1C(=O)NC2(CCCCC2)C1=O 3443272 FIKZTBUELIXCMY-UHFFFAOYSA-N 416.528 3.188 0 40 HGAB COC[C@H](C)n1c(SCC(=O)NCc2cccs2)nc2ccccc2c1=O 3590452 IWKMBHVXNXMOBA-ZDUSSCGKSA-N 403.529 3.074 0 40 HGAB COc1ccc(OC)c2sc(NC(=O)c3cccc(N4C(=O)CCC4=O)c3)nc12 4331175 CZWQBRJXAFOXOE-UHFFFAOYSA-N 411.439 3.219 0 40 HGAB COc1ccc(C(=O)N/C(=C\c2ccc3c(c2)OCO3)C(=O)N2CCCCC2)cc1 4652685 NZIIUZUPBZHCGK-UYRXBGFRSA-N 408.454 3.207 0 40 HGAB biogenic O=C(CSc1nnc(Cc2ccccc2)o1)N1CCN(c2ccc(F)cc2)CC1 4889679 LFECWENFUKCKRU-UHFFFAOYSA-N 412.490 3.240 0 40 HGAB COc1cc(OC)c(OC)cc1/C=C1/SC(=O)N(CC(=O)OC(C)(C)C)C1=O 5007605 NMKYWHGVKJXSBV-OVCLIPMQSA-N 409.460 3.090 0 40 HGAB CCOc1ccc(N2C(=O)[C@@H]3C(C(C)=O)=NN(c4ccc(Cl)cc4)[C@H]3C2=O)cc1 6351263 XPFUFHULHQBIPD-IEBWSBKVSA-N 411.845 3.062 0 40 HGAB COc1ccc(NC(=O)[C@@]2(CC(=O)O)CC(C3=Cc4ccccc4OC3)=NO2)cc1 6755183 YEDYSAGPGDRNPJ-QFIPXVFZSA-N 408.410 3.100 0 40 HGAB Cn1c(Cc2ccccc2)nnc1SCC(=O)NCCc1c[nH]c2ccccc12 7290539 DNFPTWVYWKIFGQ-UHFFFAOYSA-N 405.527 3.338 0 40 HGAB C[C@]1(c2ccc3c(c2)OCCO3)NC(=O)N(Cc2ncc(-c3ccccc3)o2)C1=O 7394346 SYONCFIXDLINIO-JOCHJYFZSA-N 405.410 3.080 0 40 HGAB O=C(c1cc2ccccc2o1)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@@H]1CCCO1 7671582 MVUXWEJBAUZWFP-INIZCTEOSA-N 403.438 3.491 0 40 HGAB CCc1ccc2c(CC(=O)N3CCN(S(=O)(=O)c4cccs4)CC3)coc2c1 7718242 FYEXAMSNUGFWGP-UHFFFAOYSA-N 418.540 3.132 0 40 HGAB O=C([C@H](Sc1nnc(-c2cccnc2)n1C1CC1)c1ccccc1)N1CCOCC1 7799727 ANGOEEDQKCRZQY-LJQANCHMSA-N 421.526 3.367 0 40 HGAB CN(Cc1ccccc1)C(=O)/C=C/c1ccc(CNS(=O)(=O)c2ccccc2)o1 8091277 LDBOGYWOGSPTJY-CCEZHUSRSA-N 410.495 3.430 0 40 HGAB O=C(CN1C(=O)COc2ccccc21)N1CCC[C@@H](c2nc3ccccc3s2)C1 8103591 HUIMIGOEFGOGII-OAHLLOKOSA-N 407.495 3.428 0 40 HGAB O=C(CSc1nnc(NC[C@@H]2CCCO2)s1)N[C@@H]1CCCc2ccccc21 8157045 IIDNIYNCVDJUSV-GOEBONIOSA-N 404.561 3.415 0 40 HGAB CCCCN(C)S(=O)(=O)c1ccc(NC(=O)c2cccc(OC)c2OC)cc1 8189990 VIWCMRSLCQGQIU-UHFFFAOYSA-N 406.504 3.377 0 40 HGAB COc1ccc(-c2cc([C@H]3CN4CC[C@H]3C[C@@H]4COC(=O)NC(C)C)n(C)n2)cc1 8635298 DRIUXMMNTGRODY-NSHGMRRFSA-N 412.534 3.408 0 40 HGAB biogenic,in-vitro O=C(Nc1ccc(I)cc1)c1ccccc1C(=O)c1ncc[nH]1 8660758 YBSWWFARZCDCRE-UHFFFAOYSA-N 417.206 3.498 0 40 HGAB Cc1c(CC(=O)N[C@@H](C)Cc2c[nH]c3ccccc23)c(=O)oc2cc(O)cc(O)c12 8764571 WEKDSHIEBDHNIT-LBPRGKRZSA-N 406.438 3.284 0 40 HGAB biogenic O=C(CSc1n[nH]c(=O)n1CCc1ccccc1)Nc1ncc(Cl)cc1Cl 9056250 IJNXOOYNLQSZKR-UHFFFAOYSA-N 424.313 3.247 0 40 HGAB COc1ccc2nc(NC(=O)[C@@H](NS(=O)(=O)c3ccccc3)C(C)C)sc2c1 9218631 HURRLSNEYCYFBB-KRWDZBQOSA-N 419.528 3.247 0 40 HGAB CCc1ccccc1Nc1nc(N)nc(COC(=O)c2cnc3ccccc3n2)n1 9322244 GLJZGOWRTOFOOV-UHFFFAOYSA-N 401.430 3.060 0 40 HGAB O=C(Nc1nc(-c2ccncc2)cs1)[C@@H]1CCCN1S(=O)(=O)c1cccs1 10186997 YVBJPNBEEPJBEY-AWEZNQCLSA-N 420.541 3.058 0 40 HGAB COc1ccc(Cl)cc1CN(C)C(=O)c1ccc2c(c1)C[C@H](C)N2S(C)(=O)=O 10279529 ULJVHRUUKBUWDY-ZDUSSCGKSA-N 422.934 3.331 0 40 HGAB Cc1ccc(S(=O)(=O)N2c3ccc(C(=O)NCc4cccnc4)cc3C[C@H]2C)cc1 10326534 OGPCZVVHMFGARQ-QGZVFWFLSA-N 421.522 3.460 0 40 HGAB CCOC(=O)c1cccc(NC(=O)[C@@H](C)N(c2ccc(C)c(C)c2)S(C)(=O)=O)c1 10441261 PGXRCWBAVSWYNN-MRXNPFEDSA-N 418.515 3.273 0 40 HGAB C[C@H]1CCc2[nH]c3ccc(C(=O)NCc4ccc(N5CCOCC5)nc4)cc3c2C1 11128841 IAGLXAIDPDHXCE-INIZCTEOSA-N 404.514 3.454 0 40 HGAB COc1cc2c(cc1OC)CN(Cc1nc(=O)c3c(C)c(C(C)=O)sc3[nH]1)CC2 12690170 ZKVILLWUQYCIOV-UHFFFAOYSA-N 413.499 3.071 0 40 HGAB COC[C@H](C)NC(=O)[C@H](C)SCc1nc2scc(-c3ccccc3)c2c(=O)[nH]1 12778370 XGENUBGDCTYUFB-STQMWFEESA-N 417.556 3.424 0 40 HGAB O=C(Nc1cccc(I)c1)[C@H]1CCCN(C(=O)c2ccoc2)C1 12971760 VPUFGUVJMXQSPA-LBPRGKRZSA-N 424.238 3.375 0 40 HGAB O=C(CCc1nc2ccccc2c(=O)[nH]1)Nc1nc(-c2ccc3c(c2)OCO3)cs1 13149648 ZUAMTYMJKOROJU-UHFFFAOYSA-N 420.450 3.347 0 40 HGAB O=C(O)c1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccccc4)[C@H]3C2=O)cc1 13805824 GGMRDPNNDBIXGV-HKBOAZHASA-N 414.417 3.436 0 40 HGAB COc1ccc(C(=O)NCc2ccc(Cl)cc2)cc1S(=O)(=O)N1CCCCC1 14291799 ZFVDYSULIHLIFJ-UHFFFAOYSA-N 422.934 3.453 0 40 HGAB COc1cccc(NC(=O)C2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)c1 16505475 CRHKAXWZRKUQBZ-UHFFFAOYSA-N 410.442 3.013 0 40 HGAB Cc1cnn(Cc2ccc(C(=O)N3CCN(c4nsc5ccccc45)CC3)o2)c1 19240023 IOAUZTLVUXBMGE-UHFFFAOYSA-N 407.499 3.405 0 40 HGAB CCC[C@]1(C(=O)OCC)N[C@@H](c2ccccc2F)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 19502065 BMJHXWPMQWXXQF-VKDGWMQASA-N 424.472 3.378 0 40 HGAB COc1cccc(CNC(=O)c2cc([C@H]3CCCN(Cc4ccncc4)C3)no2)c1 19565650 DQWFPUFGQHSRFL-IBGZPJMESA-N 406.486 3.388 0 40 HGAB COCC(=O)N1CC[C@@H](c2nc(Nc3cccc(F)c3)cc(-c3ccncc3)n2)C1 19592724 NZFWYHCYIOUFIU-MRXNPFEDSA-N 407.449 3.384 0 40 HGAB Cc1cc(-c2ccc(F)cc2)cc([C@@H]2CCCN2S(=O)(=O)c2cn(C)cn2)n1 19691404 JDNDAQGDNQRJLN-IBGZPJMESA-N 400.479 3.455 0 40 HGAB CN(CC(=O)Nc1ccc(F)c(C(F)(F)F)c1)S(=O)(=O)c1ccc(F)cc1 20013034 XWPSBHMCRPXSCU-UHFFFAOYSA-N 408.348 3.243 0 40 HGAB Cc1c(Cl)cccc1NC(=O)[C@@H]1CC(=O)Nc2nc(N3CCCCC3)nc(N)c21 20635692 AYJSEEPUXCGEBR-GFCCVEGCSA-N 414.897 3.075 0 40 HGAB CC(C)N(C(=O)CN1Cc2ccccc2C[C@H]1C(=O)N1CCCC1)c1ccccc1 22406651 NTLNKDDIMUPGNS-QHCPKHFHSA-N 405.542 3.477 0 40 HGAB COc1ccc(F)cc1CN1CCN(CC(=O)N[C@H]2CCCc3ccccc32)CC1 22812848 SFTAVORNGRRKIY-QFIPXVFZSA-N 411.521 3.146 0 40 HGAB O=C(c1ccc(Br)s1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 24301026 OXDCXOJEJKBHAV-UHFFFAOYSA-N 407.333 3.404 0 40 HGAB CCC(=O)c1ccc(OC[C@H](O)CN2CCC(C(=O)NCc3ccccc3)CC2)cc1 24541253 BTEGXLJSVFJXIS-JOCHJYFZSA-N 424.541 3.047 0 40 HGAB C[C@@H](SCC(=O)Nc1ccc(F)cc1)C(=O)OCC(=O)N[C@H](C)c1cccs1 24790659 LKNVCAZCWQIHDG-CHWSQXEVSA-N 424.519 3.368 0 40 HGAB COC(=O)c1sccc1S(=O)(=O)Nc1cc2c(cc1Cl)OCCCO2 32855678 CTLRMODBUXOOQJ-UHFFFAOYSA-N 403.865 3.150 0 40 HGAB Cc1ccc(Br)cc1S(=O)(=O)NCc1ccc(-n2cccn2)cc1 32927458 UPXABFJUXOIWTR-UHFFFAOYSA-N 406.305 3.422 0 40 HGAB NC(=O)c1c(NC(=O)CN(C(=O)c2ccco2)C2CCCC2)sc2c1CCCC2 35291605 CBFARJDDPNLDNZ-UHFFFAOYSA-N 415.515 3.342 0 40 HGAB Cc1ccc(S(=O)(=O)NCCC(=O)NCc2ccc(-c3ccc(F)cc3)o2)cc1 40052545 ICLINNNEJMNUIM-UHFFFAOYSA-N 416.474 3.379 0 40 HGAB COc1ccccc1-c1nc(NC(=O)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)n[nH]1 40088565 KPAYZMBLDGAROH-ZDUSSCGKSA-N 401.467 3.066 0 40 HGAB CCC(=O)N1CCC[C@H](C(=O)OCC(=O)Nc2ccccc2SC(F)F)C1 40150451 LYQPFAQHIYKXSW-LBPRGKRZSA-N 400.447 3.132 0 40 HGAB Cc1ccn2cc(CNC(=O)C3(NC(=O)NCc4ccccc4)CCCC3)nc2c1 40158086 OYFCEAQFAYXNAD-UHFFFAOYSA-N 405.502 3.071 0 40 HGAB COc1ccccc1-c1nnc2sc(NC(=O)COc3cccc(C)c3C)nn12 41076534 ORUOSWGPSBDSJD-UHFFFAOYSA-N 409.471 3.496 0 40 HGAB Cc1nc2ccccc2nc1CS(=O)(=O)[C@H](C)C(=O)N(C)Cc1cccc(F)c1 48278334 OSZYTAOFFKSCJZ-OAHLLOKOSA-N 415.490 3.039 0 40 HGAB Cc1ccccc1NC(=O)Cn1c(CC(=O)NCc2ccccn2)nc2ccccc21 51103617 FCKXOIYTCKBJBF-UHFFFAOYSA-N 413.481 3.237 0 40 HGAB Cc1cccc(-n2c(=O)c3sccc3n(CC(=O)Nc3cccc(F)c3)c2=O)c1 57490177 HTKUSOXEGJKWFD-UHFFFAOYSA-N 409.442 3.300 0 40 HGAB Cc1cc(C(=O)N2CCN(C(=O)Nc3ccc(N4CCCCC4)nc3)CC2)c(C)o1 58392495 QHONYPPYJYUPMB-UHFFFAOYSA-N 411.506 3.272 0 40 HGAB COc1cccc(C(=O)N(C)[C@H]2CCCN(C(=O)c3ccc4nsnc4c3)CC2)c1 72345716 PTJACEJHFRWSIX-KRWDZBQOSA-N 424.526 3.467 0 40 HGAB O=C(CN1CCCC1)N1CCC[C@H]1c1ccc2c(NCc3ccccc3)n[nH]c2n1 72374531 HXJAPFAJLOSKKP-FQEVSTJZSA-N 404.518 3.329 0 40 HGAB O=C(NC1(c2nc(-c3ccncc3)no2)CCCCC1)[C@H]1COc2ccccc2O1 77197417 ZKSNSQDEJYYTQC-GOSISDBHSA-N 406.442 3.247 0 40 HGAB CC(C)n1ncc2cc(S(=O)(=O)NC[C@@H](c3cccc(F)c3)N(C)C)ccc21 79111034 MQZALQCVFRGJPW-FQEVSTJZSA-N 404.511 3.338 0 40 HGAB CCCCS(=O)(=O)NCC(=O)N(C)c1nc2c(s1)C[C@H](c1ccccc1)CC2 89954831 XFFQHJURGLYPTL-MRXNPFEDSA-N 421.588 3.098 0 40 HGAB O=C(Nc1cccc(Cn2cnnc2)c1)C1(S(=O)(=O)c2ccccc2)CCCC1 95405265 BFUYQCBFJFYWEZ-UHFFFAOYSA-N 410.499 3.052 0 40 HGAB Cc1ccc(N2C(=O)[C@H]3ON=C(c4ccc(F)cc4)[C@H]3C2=O)c(Br)c1 101211390 JFBRZAOPWSNAJU-ZBFHGGJFSA-N 403.207 3.189 0 40 HGAB O=C(CCCCCN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O)OCC(=O)c1ccccc1 102076330 QXLNTHOSHAVDCY-FXSVLNLJSA-N 421.493 3.026 0 40 HGAB COc1ccccc1[C@@H]1C=C(C(=O)O)Nc2c(C(=O)Nc3ccc(C)cc3)cnn21 102810741 CQJUQJDLCXTMIY-SFHVURJKSA-N 404.426 3.436 0 40 HGAB O=C(N1CCN(S(=O)(=O)c2ccccc2)CC1)C12C[C@@H]3C[C@H](CC(Cl)(C3)C1)C2 105052020 IGHVCTUUPCCWTM-AMZMEHNNSA-N 422.978 3.097 0 40 HGAB CC[C@@H](C(=O)NCCOc1cc(C)ccc1C)N(c1ccccc1F)S(C)(=O)=O 224035602 FZOIPLOFTYQITQ-SFHVURJKSA-N 422.522 3.182 0 40 HGAB Cc1cc(C)n(-c2ccc(CCC(=O)N3CCN(Cc4cccnc4)CC3)cc2)n1 225605081 AYJDQFLGEVUMJU-UHFFFAOYSA-N 403.530 3.161 0 40 HGAB COc1ccc(NC(=O)Cn2ccc(=O)c3ccc(Br)cc32)c(OC)c1 225740313 WTESKWYOGMRJHA-UHFFFAOYSA-N 417.259 3.420 0 40 HGAB CN1CCN(C[C@H](O)COCCOc2ccc(C(C)(C)C)cc2C(C)(C)C)CC1 226070447 IZDRZBAVVYYVOH-FQEVSTJZSA-N 406.611 3.285 0 40 HGAB CC(C)(C)OC(=O)N1[C@@H](CNC(=O)c2cncs2)C[C@@]2(C)[C@@H](O)CCCC[C@@H]12 257334779 YHIRZOWATANHIS-BCEDRHLLSA-N 409.552 3.192 0 40 HGAB COc1ccccc1NC(=O)COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1 408623690 PKOBSYUVDRTSTA-UHFFFAOYSA-N 418.515 3.133 0 40 HGAB C[C@@H](C(=O)O)N1C(=O)[C@@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 408670940 YOTXEOIPMAPHDO-KMWHNHHYSA-N 416.260 3.053 0 40 HGAB CCOc1cc(/C=C2/C(=O)N(C3CCCCC3)C(=S)N2C)ccc1OCC(=O)O 409085972 XTANUHAANVIRLL-WJDWOHSUSA-N 418.515 3.281 0 40 HGAB COc1ccc([C@@H](NC(=O)c2nn(-c3ccccc3C)c3c2CCC3)C(=O)O)cc1 554100386 NPDGVZCTYOZMFW-HXUWFJFHSA-N 405.454 3.234 0 40 HGAB Cc1cnc(Nc2cccc(C3CCN(CC(=O)NCc4ccccn4)CC3)n2)s1 585262654 PHHCHPBRPKOOTB-UHFFFAOYSA-N 422.558 3.481 0 40 HGAB Cn1cc(C(=O)N2C[C@@H]3CN(c4ccc(-c5ccccc5)nn4)C[C@H]3C2)c(C(F)F)n1 1888904120 VSAOCHCOYYXRBC-HOTGVXAUSA-N 424.455 3.023 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCC(c3nnc4ccc(C5CC5)nn34)CC2)cc1C 1888921766 FBAHRYBYYIQMDF-UHFFFAOYSA-N 411.531 3.187 0 40 HGAB Cn1cc(-c2cnc(OC3CCN(c4ncccc4Br)CC3)nc2)cn1 1889160462 QVNNUJXVPITODO-UHFFFAOYSA-N 415.295 3.082 0 40 HGAB CCC(=O)N1N=C(c2ccc(NS(C)(=O)=O)cc2)C[C@H]1c1ccc2nccnc2c1 814421 UMPDKFIVMKTJJE-FQEVSTJZSA-N 423.498 3.089 0 40 HGAB Cc1ccc(NC(=O)COC(=O)[C@H](CC(C)C)N2C(=O)c3ccccc3C2=O)cc1 1910807 ODUNPSXOFKJRNP-IBGZPJMESA-N 408.454 3.188 0 40 HGAB COCCn1c(S[C@@H](C)C(=O)Nc2ccccc2OC)nc2ccccc2c1=O 2619705 QFZJSIVKYIBEEK-AWEZNQCLSA-N 413.499 3.171 0 40 HGAB C=CCNC(=O)CSc1nnc(COc2ccc(OC)cc2)n1-c1ccccc1 3410052 SHDUKYPAANJHOV-UHFFFAOYSA-N 410.499 3.249 0 40 HGAB CCOC(=O)N1CCN(C(=O)c2sc3nc(-c4ccc(F)cc4)cn3c2C)CC1 3958784 PYOMUPAJOCDLDW-UHFFFAOYSA-N 416.478 3.425 0 40 HGAB CCC[C@@H]1CCc2c(sc(NC(=O)[C@@H]3[C@@H](C(=O)O)[C@H]4CC[C@@H]3C4)c2C(N)=O)C1 4019449 JCIATHCRWRGVQJ-SEQRPAEDSA-N 404.532 3.437 0 40 HGAB COc1ccc(CN(Cc2cccnc2)C(=S)NC[C@H]2CCCO2)cc1OC 4126944 BDAOSMQIHNNFJY-GOSISDBHSA-N 401.532 3.155 0 40 HGAB CC(C)CCn1c(=O)c2c(nc3n2CCCN3c2ccc(Cl)cc2)n(C)c1=O 4249235 HWLBEIYGCIWPTN-UHFFFAOYSA-N 401.898 3.138 0 40 HGAB CCCn1c(=O)c2c(nc3n2C[C@H](C)CN3c2cccc(Cl)c2C)n(C)c1=O 4249475 ZWEXPTVKBUKVML-GFCCVEGCSA-N 401.898 3.056 0 40 HGAB CCn1c(CNC(=O)c2ccco2)nnc1SCC(=O)Nc1ccc(C)cc1C 4814958 PYAYDRTWUCHLKI-UHFFFAOYSA-N 413.503 3.169 0 40 HGAB Cc1ccc(OCC(=O)N(Cc2ccc(Cl)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 5046734 IBPWAIASIUGCCB-GOSISDBHSA-N 407.919 3.243 0 40 HGAB COc1cc(Cl)c(C)cc1NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 5509405 OWOAQRXRZSWPLG-ZDUSSCGKSA-N 416.861 3.420 0 40 HGAB COc1ccc(NC(=O)Cc2ccc(F)cc2)cc1S(=O)(=O)N1CCCCC1 5578753 FCIHFJDZLIRJMD-UHFFFAOYSA-N 406.479 3.190 0 40 HGAB CC(C)(C)CC(=O)N1CCC[C@@H](c2nc(O)c3nnn(Cc4ccccc4)c3n2)C1 5624913 GIFUHYXPKOBYOU-MRXNPFEDSA-N 408.506 3.117 0 40 HGAB C[C@H](OC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O)C(=O)Nc1ccc2ccccc2c1 5936423 VKCBJPUFEXBECR-GJZGRUSLSA-N 416.433 3.395 0 40 HGAB CC(=O)Cc1nsc(NC(=O)c2ccc3c(c2)C[C@H](c2ccccc2)OC3=O)n1 5959834 YFOFMXDZSHPTBM-QGZVFWFLSA-N 407.451 3.376 0 40 HGAB O=C(O)CCNC(=O)/C(=C\c1ccccc1)NC(=O)c1ccc(Cl)cc1Cl 6594038 XLZJBWHRRPPVGH-MHWRWJLKSA-N 407.253 3.355 0 40 HGAB COc1ccc(NC(=O)CSc2nnc(-c3ccc(F)cc3)n2C)cc1OC 6914187 LQRNRHCXGGUNNZ-UHFFFAOYSA-N 402.451 3.369 0 40 HGAB O=C(CCNC(=O)c1ccco1)N[C@H](Cc1ccccc1)c1nc2ccccc2[nH]1 7738346 SQMLBRZEBOJXMP-LJQANCHMSA-N 402.454 3.376 0 40 HGAB Cc1nc2ccc(NC(=O)CCCNC3=NS(=O)(=O)c4ccccc43)cc2s1 8133707 ZKNUCAQBXNKNIU-UHFFFAOYSA-N 414.512 3.062 0 40 HGAB CNC(=O)[C@H]1CN(C(=O)C2c3ccccc3Oc3ccccc32)c2ccccc2O1 8882033 NIMPJZYWBDAWEY-OAQYLSRUSA-N 400.434 3.464 0 40 HGAB Cc1cc(Br)ccc1NC(=O)CNC(=O)[C@@H](C)Oc1ccc(F)cc1 8945091 MVYSPJINAVQHIU-GFCCVEGCSA-N 409.255 3.419 0 40 HGAB COc1cc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc(F)cc2)cc(OC)c1OC 9329533 SJHMEKSMHHWUHX-GOSISDBHSA-N 415.421 3.118 0 40 HGAB Cc1cccc(-c2noc(CNS(=O)(=O)c3ccc(Br)cc3)n2)c1 9427209 AGFQXYBININXSQ-UHFFFAOYSA-N 408.277 3.286 0 40 HGAB CCc1ccc(OCC(=O)N(Cc2sccc2C)[C@@H]2CCS(=O)(=O)C2)cc1 9431290 WMLJTNQIQQUBPI-QGZVFWFLSA-N 407.557 3.214 0 40 HGAB O=C(c1ccccc1-n1cnnn1)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CC1 9491442 YQHPPAAUEGPIKB-UHFFFAOYSA-N 421.848 3.171 0 40 HGAB NC(=O)c1c(NC(=O)CSc2ccc3c(c2)OCCCO3)sc2c1CCC2 9535022 KOYKKSCHMAJTOW-UHFFFAOYSA-N 404.513 3.228 0 40 HGAB COc1ccc(-c2cnc(S(=O)(=O)CC(=O)Nc3cccc(Cl)c3)n2C)cc1 9828779 KGNYNVWSNNXUNF-UHFFFAOYSA-N 419.890 3.162 0 40 HGAB O=C(Cc1cc(Cl)c2c(c1)OCCO2)Nc1cccc(-c2nnnn2C2CC2)c1 9956354 XIMSMOPUWUTOGR-UHFFFAOYSA-N 411.849 3.281 0 40 HGAB COc1ccc(CCNc2nc(=O)c(Cc3ccc(Cl)cc3)n[nH]2)cc1OC 11340504 NXSFDEKZQLRXKP-UHFFFAOYSA-N 400.866 3.081 0 40 HGAB COc1cc2nc(SCc3cc(C(=O)O)cc4c3OCOC4)[nH]c2cc1OC 11945278 TUQIDSPEJHIRTK-UHFFFAOYSA-N 402.428 3.437 0 40 HGAB Cc1cc(O)n2nc([C@@H]3CCCCN3C(=O)CCc3cc(OC(C)C)no3)cc2n1 12161158 ZGESKCZFNDGIFG-KRWDZBQOSA-N 413.478 3.205 0 40 HGAB Cc1c(C(=O)NC[C@@H]2CCCO2)nnn1-c1ccc2noc(-c3ccccc3)c2c1 12273986 OHFZMWFKWIICFA-KRWDZBQOSA-N 403.442 3.293 0 40 HGAB COc1ccc2c(c1)[C@@H](O)CC1(CCN(C[C@H](O)c3ccc(F)c(F)c3)CC1)O2 12329596 YGGHHNMUCCCVAX-PMACEKPBSA-N 405.441 3.358 0 40 HGAB COC(=O)c1sccc1S(=O)(=O)N[C@@H](C)c1nc2ccccc2n1C(F)F 12560229 RSJHOEBTNOCRQZ-VIFPVBQESA-N 415.443 3.319 0 40 HGAB COc1cc(Br)c(S(=O)(=O)Nc2cccc3cn[nH]c23)cc1OC 12560711 RUTIWMHQIFPUKG-UHFFFAOYSA-N 412.265 3.143 0 40 HGAB C[C@H](NC(=O)NCc1ccccc1S(=O)(=O)N1CCCCC1)c1ccccc1 12756676 ZIADRKDDKLTBQW-KRWDZBQOSA-N 401.532 3.422 0 40 HGAB O=S(=O)(N[C@H](CN1CCOCC1)c1ccccc1)c1cc(Cl)ccc1Cl 12772213 ACEOMJHSEQBUKY-QGZVFWFLSA-N 415.342 3.345 0 40 HGAB O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1)c1ccc(Cl)cc1Cl 12781968 NWJCHNZOAUJZIU-SFHVURJKSA-N 407.297 3.193 0 40 HGAB COc1cc(NC(=O)[C@H]2CCCCN2C(=O)c2cccs2)cc(OC)c1OC 12908469 TUDPJSQFHUMQNZ-CQSZACIVSA-N 404.488 3.407 0 40 HGAB C[C@H](c1nc2ccccc2s1)N(C)S(=O)(=O)c1ccc2c(c1)NC(=O)CO2 13000436 HYRLCUKKBNHSQC-LLVKDONJSA-N 403.485 3.009 0 40 HGAB COCCNS(=O)(=O)c1ccc(C(=O)N[C@@H](CC(C)C)c2ccccc2)cc1 13001046 ONDLZGQMSVNTOP-FQEVSTJZSA-N 404.532 3.129 0 40 HGAB O=C1CCc2cc(S(=O)(=O)Nc3ccccc3OCC(F)(F)F)ccc2N1 14205767 RZBPDMSPRSKAEG-UHFFFAOYSA-N 400.378 3.313 0 40 HGAB CCN(Cc1ccccc1)C(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1Cl 15858224 QEYMYTAAIXVIOO-UHFFFAOYSA-N 406.891 3.069 0 40 HGAB COc1ccc(S(=O)(=O)NCCC(=O)Nc2ccc(C(C)(C)C)cc2)cc1OC 16643587 KJIVOVOCYPMJST-UHFFFAOYSA-N 420.531 3.308 0 40 HGAB CCOC(=O)c1ccccc1NC(=O)CSc1nnc2n1CCN2c1ccccc1 17306727 YKMPEHQTCNARON-UHFFFAOYSA-N 423.498 3.337 0 40 HGAB Cc1ccc(-c2ccc(C[C@]3(C(N)=O)CCCN(C(=O)[C@@H]4CCCO4)C3)cc2)cc1 19212348 OPZVYEKBQSWESK-WIOPSUGQSA-N 406.526 3.478 0 40 HGAB CCCCNC(=O)CN1C(=O)[C@H](CC)Oc2ccc(C(=O)c3cccs3)cc21 19502277 VCHYPGVNRSOPHY-INIZCTEOSA-N 400.500 3.399 0 40 HGAB CCN1CCN(C(=O)[C@H]2CCCO2)C[C@H](Cc2cccc(-c3ccccc3)c2)C1=O 19527483 XXOBSAULWGKMNY-XZOQPEGZSA-N 406.526 3.382 0 40 HGAB COC(=O)[C@H](CC(C)C)NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(F)c(F)c1F 20734454 PYFMREOTJIPHOB-KBXCAEBGSA-N 424.423 3.072 0 40 HGAB COc1ccc(NC(=O)CN2N=C(c3ccccc3)c3ccccc3S2(=O)=O)cc1 21942395 OZDVNJMIZDQFKY-UHFFFAOYSA-N 421.478 3.091 0 40 HGAB O=S(=O)(NC[C@H](c1ccc(F)cc1)N1CCOCC1)c1cccc2ccccc12 23108134 YQHONOGNGOXJQV-OAQYLSRUSA-N 414.502 3.331 0 40 HGAB CC(=O)Nc1cccc(NC(=O)Cc2cc(=O)[nH]c(SCc3ccccc3)n2)c1 23138049 GQROPNPHYKVLAP-UHFFFAOYSA-N 408.483 3.202 0 40 HGAB COc1cccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccc(F)cc3)CC2)c1 24610044 IPFFACKLIMBRCD-UHFFFAOYSA-N 406.479 3.015 0 40 HGAB CC(=O)c1ccc(N2CCN(CC(=O)N[C@H]3CCC[C@H](C(F)(F)F)C3)CC2)cc1 26159166 SIPKVSYDKINDRQ-ROUUACIJSA-N 411.468 3.249 0 40 HGAB COc1ccc(CN2C[C@@H](C(=O)Nc3ccccc3Br)CC2=O)cc1 28404672 IPROPNFPPOMVMB-AWEZNQCLSA-N 403.276 3.445 0 40 HGAB C[C@@H]1Oc2ccccc2N(CCC(=O)OCc2cc(Cl)c3c(c2)OCCO3)C1=O 31330583 NBEOCFWVEULPMH-ZDUSSCGKSA-N 417.845 3.359 0 40 HGAB CN(C)[C@H](CNC(=O)C1CCN(C(=O)Nc2ccccc2)CC1)c1cccc(F)c1 32216828 WRNKSXYZYGVSLO-OAQYLSRUSA-N 412.509 3.489 0 40 HGAB CN(Cc1ccc(C(=O)NCC(F)(F)F)cc1)C(=O)/C=C/c1ccc2c(c1)OCO2 32769623 BVMBKLGUDNJPDX-WEVVVXLNSA-N 420.387 3.379 0 40 HGAB COc1cc(Br)c(/C=c2\sc3nc4ccccc4n3c2=O)cc1OC 33322044 GXMFKOBCZREGGB-PXNMLYILSA-N 417.284 3.237 0 40 HGAB CCN(CC)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1cc(C)ccc1OC 33602314 XHDVBMUKQOELEU-UHFFFAOYSA-N 420.531 3.076 0 40 HGAB CCCCNC(=O)Cn1nc2c(Oc3cccc(C)c3C)nc3ccccc3n2c1=O 35425303 BXKAIVCUVTVXCA-UHFFFAOYSA-N 419.485 3.370 0 40 HGAB CSCC[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1)C(=O)Nc1ccc(C)cc1C 35485538 XABBWJGMPVILRA-SFTDATJTSA-N 411.571 3.194 0 40 HGAB COc1cccc([C@@H](CNC(=O)CCc2nnc(-c3ccsc3)o2)N(C)C)c1 37151265 BVASWPVWHACQAF-QGZVFWFLSA-N 400.504 3.158 0 40 HGAB Cc1ccc(-c2noc(Cn3c(=O)n(Cc4ccco4)c(=O)c4ccccc43)n2)cc1 38486482 INQDQAVMYUJFMZ-UHFFFAOYSA-N 414.421 3.211 0 40 HGAB CS(=O)(=O)N1CC[C@@H](C(=O)Nc2ccc(F)cc2F)Oc2ccc(Cl)cc21 38853652 ZNRARWFCKYDJKB-INIZCTEOSA-N 416.833 3.174 0 40 HGAB Cc1ccc(C(=O)Nc2nc(-c3ccc(S(=O)(=O)N(C)C)cc3)cs2)cn1 40134070 IIDGRSIFODLHAW-UHFFFAOYSA-N 402.501 3.016 0 40 HGAB COc1ccc(-c2csc(NC(=O)[C@H](C)NC(=O)C3CCCC3)n2)c(OC)c1 40145023 IWKVZUGGVZIUNY-LBPRGKRZSA-N 403.504 3.461 0 40 HGAB Cc1nn(-c2ccc3nnc(C)n3n2)c2c1[C@@H](c1ccc(O)c(Cl)c1)CC(O)=N2 40267266 LVDJAKWNGRNJHH-GFCCVEGCSA-N 409.837 3.409 0 40 HGAB C[C@H](NC(=O)Nc1cccc2ccccc12)c1ccc(-n2cc(C(N)=O)nn2)cc1 51558620 NDYPQTRUNHUTOG-AWEZNQCLSA-N 400.442 3.402 0 40 HGAB COCCn1c(SCC(=O)Nc2cccc(Cl)c2)nc2ccsc2c1=O 57425748 ZIUVUMOIMZBZBB-UHFFFAOYSA-N 409.920 3.489 0 40 HGAB Cc1cccc(NC(=O)Cn2c(-c3ccc(Cl)cc3)nc(C)c(CCO)c2=O)c1 67300536 GDUUQKVWMLSUOU-UHFFFAOYSA-N 411.889 3.354 0 40 HGAB Cc1c(C(=O)NC2CC2)nnn1-c1cccc2c1CCN(Cc1cccc(F)c1)C2 69899701 FSMUKBPOGHSFDI-UHFFFAOYSA-N 405.477 3.165 0 40 HGAB CO[C@H](C)c1nc(CN2CCCN(C(=O)CO[C@@H]3CCCC[C@H]3C)CC2)cs1 79053976 QQYQSNBXQRKMFI-ZHALLVOQSA-N 409.596 3.480 0 40 HGAB O=C(Cc1csc(N2CCCC2=O)n1)NC1(c2ccc(Cl)cc2)CCOCC1 84393261 SKJXTKJPKQFRAJ-UHFFFAOYSA-N 419.934 3.288 0 40 HGAB CC(C)c1c(C(=O)NC[C@@H]2CN3CCCC[C@@H]3CO2)cnn1-c1ccc(F)cc1 89891155 YBQCSPGFAGDIBC-RTBURBONSA-N 400.498 3.118 0 40 HGAB CCc1cc(=O)oc2c(C)c(OCC(=O)NC[C@H]3CCCN4CCCC[C@H]34)ccc12 96343550 SCXLHWYZRLQMFM-UYAOXDASSA-N 412.530 3.423 0 40 HGAB CCCS(=O)(=O)N1CCC[C@H](C(=O)n2ccc(C)c/c2=N\C2CCCCC2)C1 102601832 LWPRRVLCUDLMPX-LQTLECTNSA-N 407.580 3.122 0 40 HGAB CC(C)OC(=O)[C@@H]1C(=O)C[C@@](C)(O)[C@H](C(=O)OC(C)C)[C@@H]1/C=C/c1ccccc1 105189857 WAWRHMOJAIJNCG-UJPSQYIKSA-N 402.487 3.175 0 40 HGAB CC(C)C(NC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1)C(C)C 113938790 NZFBGDYQHZEZMX-FQEVSTJZSA-N 416.543 3.440 0 40 HGAB CCOC(=O)C1(C(=O)OCC)[C@H](c2ccccc2)[C@H]1S(=O)(=O)c1ccc(C)cc1 218046141 CWXSCVMIKQBMPY-RTBURBONSA-N 416.495 3.047 0 40 HGAB CC[C@@H](C(=O)NCCN(C)c1ccccc1)N(c1ccc(Cl)cc1)S(C)(=O)=O 219108080 NZNHDZYETIEILW-IBGZPJMESA-N 423.966 3.137 0 40 HGAB CN(CCCC(=O)NCCCc1ccccc1Cl)S(=O)(=O)c1ccccc1 219721006 QVLOJUBGOPIFDC-UHFFFAOYSA-N 408.951 3.490 0 40 HGAB COc1ccc(N(CCCC(=O)NCCCc2cccc(C)c2)S(C)(=O)=O)cc1 222605785 VMRJXTBZEAAGKI-UHFFFAOYSA-N 418.559 3.299 0 40 HGAB COc1ccc(S(=O)(=O)N(C)Cc2nc(-c3cccc(Cl)c3)no2)cc1OC 223583127 HNHVRIYOIBXSCI-UHFFFAOYSA-N 423.878 3.228 0 40 HGAB Cc1ccc(OCCNC(=O)CN(c2cccc(C)c2C)S(C)(=O)=O)cc1Cl 224131885 QACWSVZLCFHHTL-UHFFFAOYSA-N 424.950 3.226 0 40 HGAB CC(C)Sc1nnc(NC(=O)c2cc(NS(C)(=O)=O)ccc2Cl)s1 224234054 VTPLHHLNZLEBFO-UHFFFAOYSA-N 406.942 3.316 0 40 HGAB O=C(NCC1=CCCCC1)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1 224363609 BRRVWOWOZAFEFR-UHFFFAOYSA-N 410.967 3.498 0 40 HGAB COc1ccc2c(c1)CCC[C@@H]2NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 225784991 KMGIXWWXNRBACK-IBGZPJMESA-N 422.934 3.163 0 40 HGAB COCCNC(=S)Nc1nc(Oc2ccccc2)cc(N2CCC[C@@H](C)C2)n1 225898502 LZISZISZTZKITG-OAHLLOKOSA-N 401.536 3.438 0 40 HGAB CCC(=O)NC(=S)Nc1c(Br)cc(C(=O)O)cc1Br 226354702 NXGWJOLWPVMRTC-UHFFFAOYSA-N 410.087 3.133 0 40 HGAB COc1ccc2c(c1)O[C@]1(C[C@H]3CC[C@H]1C[C@@H]3C(=O)NCc1ccccc1F)NC2=O 247917613 BQMNYYYNDCZDBI-HDCSMFLBSA-N 424.472 3.405 0 40 HGAB CC(=O)N1[C@@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)N2C(=O)c1cccnn1 257214962 COCINDQHNZBLOP-QMDPOKHVSA-N 404.514 3.092 0 40 HGAB Cc1nc2cc([C@H]3CCCCN3C(=O)C3CC3)nn2c(C)c1CCC(=O)NC1CC1 257306426 SUFQDBSPRVZXBL-HXUWFJFHSA-N 409.534 3.021 0 40 HGAB Cc1nc([C@@H]2CCN(C(=O)CC(C)C)C2)nc2c1CC(=O)N2CCc1ccc(F)cc1 257323392 WJYSPPSPVYAUAD-GOSISDBHSA-N 424.520 3.418 0 40 HGAB Cc1cccc(Nc2cc(C)nc([C@H]3CCCCN3C(=O)/C=C/c3cnc[nH]3)n2)n1 585290881 GRQBTFGMRGOTHU-QZEKMECESA-N 403.490 3.722 0 40 HGAB CCOc1ccccc1N1C[C@@H](C(=O)N2CCCc3cc(OC)ccc3C2)CC1=O 590735222 HQMJXWNSEUQEIZ-IBGZPJMESA-N 408.498 3.422 0 40 HGAB CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)c1ccc(N2CCNC2=O)cc1 643239583 XEWLHBIFXGNCEC-UHFFFAOYSA-N 421.284 3.234 0 40 HGAB COCCCN1CCC[C@@]2(CCCN(S(=O)(=O)c3ccc4ncsc4c3)C2)C1 2056223335 GMUKOYCEBAZYJK-HXUWFJFHSA-N 423.604 3.200 0 40 HGAB COc1cc(-c2nnc(SCC(=O)N3CCCCCC3)o2)cc(OC)c1OC 781931 VUVYFLSLGMKODI-UHFFFAOYSA-N 407.492 3.257 0 40 HGAB Cc1c(O[C@@H](C)C(=O)N[C@H](C(=O)O)c2ccccc2)ccc2c3c(c(=O)oc12)CCC3 2097942 HBHXXYDBAVCIIQ-XOBRGWDASA-N 421.449 3.300 0 40 HGAB biogenic COc1cc(-c2nc3s/c(=C\C=C\c4ccccc4)c(=O)n3n2)cc(OC)c1OC 2397043 FMSARYIBEHCHLH-YJMOAXFXSA-N 421.478 3.057 0 40 HGAB COc1ccc(Cl)cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@H](C(C)=O)N1C=Cc3ccccc3[C@@H]21 2430179 ULBVRRNILONBHC-ANULTFPQSA-N 422.868 3.453 0 40 HGAB Cc1ccc(C(=O)NCC(=O)OCC(=O)Nc2cc(Cl)ccc2Cl)s1 2641275 JALXGVIOIRFTAR-UHFFFAOYSA-N 401.271 3.275 0 40 HGAB CC(C)[C@H](NC(=O)c1ccccc1)C(=O)OCC(=O)N[C@H]1CCCc2ccccc21 3220332 KLAJTVFSBZTCBJ-UNMCSNQZSA-N 408.498 3.178 0 40 HGAB Cc1ccc(C)c(C(=O)COC(=O)CN2C(=O)N[C@@]3(C[C@H](C)CC(C)(C)C3)C2=O)c1 3380306 MNBBTQUQYBUIPW-IQMFZBJNSA-N 414.502 3.166 0 40 HGAB C[C@@H]1C[C@@H](C)CN(C(=O)CSc2nc3sc4c(c3c(=O)n2C)CCCC4)C1 3601089 XENMPQYIRCWZAU-CHWSQXEVSA-N 405.589 3.470 0 40 HGAB CC(C)COC(=O)[C@H]1[C@@H](c2ccc(F)cc2)[C@@H](C(=O)OCC(C)C)C(=O)C[C@]1(C)O 4127225 XPJNTNUMQIGRLO-GJPOJAMWSA-N 422.493 3.264 0 40 HGAB Cc1cc(C)c(NC(=O)Cn2cnc3c(cnn3-c3ccc(F)cc3)c2=O)c(C)c1 4165977 SMNQOQPYUYWHSP-UHFFFAOYSA-N 405.433 3.285 0 40 HGAB COc1cccc(NC(=O)CSc2nnc(-c3cccc(OC(C)C)c3)n2N)c1 4325609 BKHRGLKQNYRPHU-UHFFFAOYSA-N 413.503 3.186 0 40 HGAB COc1cc([C@H]2CC(=O)N(c3ccc(C)cc3)C3=C2C(=O)OC3)cc(OC)c1OC 4519915 BCNQGURKKGTSKN-MRXNPFEDSA-N 409.438 3.352 0 40 HGAB CCOc1cc(S(=O)(=O)NCc2ccc3c(c2)OCO3)ccc1Br 4667062 NNLPPNXRUVJXCA-UHFFFAOYSA-N 414.277 3.055 0 40 HGAB CCc1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(C)c3)C(=O)N2CCOC)cc1 4738809 GLJREUHWKDYJGU-HXUWFJFHSA-N 409.486 3.370 0 40 HGAB COc1cccc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)c1OC(C)C 5006969 BZRINJHMFHVXMT-LFIBNONCSA-N 404.488 3.141 0 40 HGAB COc1ccc(N(C(=O)c2ccc(C)c(C)c2)[C@@H]2C=CS(=O)(=O)C2)c(OC)c1 5080891 SBZVSRRWPIDGDO-QGZVFWFLSA-N 401.484 3.278 0 40 HGAB COC(=O)C1=C(C)Nc2[nH]c(=S)[nH]c(=O)c2[C@@H]1c1ccc(Br)cc1 5500532 VJJMZOPDBUYEDV-LLVKDONJSA-N 408.277 3.199 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)NCc1ccccc1 6337480 BVEZFKDVXZTIFS-UHFFFAOYSA-N 402.516 3.190 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2ccc3c(C)cc(=O)oc3c2)cc1 6626892 NDBVBZSBRFISAB-UHFFFAOYSA-N 414.483 3.384 0 40 HGAB Cc1cccc(C)c1OC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1 7658025 DPKWAMFWGODMNM-IRXDYDNUSA-N 403.500 3.321 0 40 HGAB CCN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 7971531 ODVZVLYAFZONDR-UHFFFAOYSA-N 404.507 3.275 0 40 HGAB COc1cc(OC)c(OC)cc1CNC(=O)Cn1c(CSC)nc2ccccc21 8280057 DHEJBVURIVPXNO-UHFFFAOYSA-N 415.515 3.242 0 40 HGAB COc1cccc(NC(=O)NCCS(=O)(=O)c2c(C)[nH]c3ccccc23)c1OC 8923932 MVSAFRZQKDYLJD-UHFFFAOYSA-N 417.487 3.089 0 40 HGAB COc1ccccc1N1C(=O)N=C(O)/C(=C2\C[C@@H](c3ccc(Cl)cc3)NN2)C1=O 9043443 CJESAWNHQZTVJS-FSLWVPIDSA-N 412.833 3.265 0 40 HGAB COc1ccc(C)cc1S(=O)(=O)Nc1ccc2c(c1)OCC(C)(C)C(=O)N2C 9165628 PIKIBBGAQDOCFY-UHFFFAOYSA-N 404.488 3.186 0 40 HGAB COc1ccc2c(C)c(CC(=O)/N=c3\[nH]nc(-c4ccc(Cl)cc4)[nH]3)c(=O)oc2c1 9340888 DOMFRWSWOQIGHE-UHFFFAOYSA-N 424.844 3.152 0 40 HGAB Cc1cc(C(=O)COC(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)c(C)n1C 9632362 DLNWBELGUKKAKZ-UHFFFAOYSA-N 420.421 3.071 0 40 HGAB Cc1ccccc1Cn1c(=O)c2c(nc3oc(-c4ccc(F)cc4)cn32)n(C)c1=O 9789678 JMXNPIDJUVESMD-UHFFFAOYSA-N 404.401 3.104 0 40 HGAB CN(C)CCNC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 10111686 UEQKSDKDRRRMDM-NRFANRHFSA-N 417.962 3.406 0 40 HGAB Cc1ccc(-n2ncc3c(=O)n(NC(=O)c4cccc(Br)c4)cnc32)cc1 10251460 KZYIVSRPUMATLF-UHFFFAOYSA-N 424.258 3.037 0 40 HGAB O=C(NCCc1nnc2ccccn12)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O 10298772 DZQGKFHOORIXLA-FQEVSTJZSA-N 412.449 3.156 0 40 HGAB COc1cc(NC(=O)CSC2=Nc3ccccc3C3=N[C@@H](C)C(=O)N23)cc(OC)c1 10433586 PYNDZQDXRWDIJO-LBPRGKRZSA-N 424.482 3.054 0 40 HGAB COc1ccc(CNC(=O)C[C@H]2Sc3ccc(C(F)(F)F)cc3NC2=O)cn1 10991769 BXSFHLAKUQLPBL-CQSZACIVSA-N 411.405 3.228 0 40 HGAB Cc1nc(-n2nc(-c3ccco3)cc2NC(=O)c2c(F)cccc2F)[nH]c(=O)c1C 12008200 OXXCXVPCHSZHBA-UHFFFAOYSA-N 411.368 3.363 0 40 HGAB COc1ccc(CN2CCC(c3nc(C)c(C)c(N4CCOCC4)n3)CC2)cc1O 12142992 NOEIXKDIFZBONS-UHFFFAOYSA-N 412.534 3.024 0 40 HGAB CCCS(=O)(=O)N1CCCc2cc(NS(=O)(=O)Cc3cccc(C)c3)ccc21 12180468 NNUVDSQSBKHEMF-UHFFFAOYSA-N 422.572 3.429 0 40 HGAB COCCn1c(SCC(=O)N2CCc3ccccc3C2)nnc1-c1ccccc1 12352600 XVWJEWBVEXIWOB-UHFFFAOYSA-N 408.527 3.269 0 40 HGAB CC(C)=C[C@@H]1[C@H](C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)C1(C)C 12615480 SYRRSEUHUXUKCJ-CZUORRHYSA-N 416.996 3.473 0 40 HGAB COc1ccc(-c2noc(COC(=O)c3cc(O)nc4ccccc34)n2)cc1OC 12763880 XDSKFRWBXZUZPF-UHFFFAOYSA-N 407.382 3.365 0 40 HGAB O=C(Cn1cnc2ccccc2c1=O)Nc1nc(-c2ccc3c(c2)CCO3)cs1 12897842 MNRVBWGPPRAYNE-UHFFFAOYSA-N 404.451 3.094 0 40 HGAB O=C(NCc1ccccc1OC(F)(F)F)N1CCN(C(=O)c2ccccc2)CC1 12905521 HMKBRBPIPAIPOC-UHFFFAOYSA-N 407.392 3.253 0 40 HGAB C[C@@H]1CCc2c(sc3nc([C@@H](C)Sc4nnc(N)n4C4CC4)[nH]c(=O)c23)C1 12919093 RPMZBICCKADFCX-RKDXNWHRSA-N 402.549 3.471 0 40 HGAB Cc1ccc(-c2nc(NC(=O)CSc3nc(=O)cc(O)[nH]3)sc2C)cc1C 13564832 YGQMDBMBQNHSJY-UHFFFAOYSA-N 402.501 3.255 0 40 HGAB COc1ccc(NC(=O)NCCCn2nc(-c3ccc(OC)cc3)ccc2=O)cc1 13800828 AGJHLPQUPAEJNW-UHFFFAOYSA-N 408.458 3.139 0 40 HGAB O=C(CCCN1C(=O)NC2(CCCC2)C1=O)N[C@@H]1CCSc2ccc(F)cc21 14157465 VZVPSXCXVQUEGE-OAHLLOKOSA-N 405.495 3.124 0 40 HGAB Cc1cc(Br)cc(Cl)c1OCC(=O)Nc1ccc(-n2cnnn2)cc1 15645712 FYGVOBZCOQENMU-UHFFFAOYSA-N 422.670 3.404 0 40 HGAB O=C(NCc1ccc2c(c1)OCO2)c1cc(-c2ccc(Br)cc2)n[nH]1 15721644 FKROPKKKYYYTBV-UHFFFAOYSA-N 400.232 3.498 0 40 HGAB O=C(Nc1cccc(C(F)(F)F)c1)C1CCN(S(=O)(=O)c2cccnc2)CC1 15962722 FXCBOAHTVRCXHF-UHFFFAOYSA-N 413.421 3.140 0 40 HGAB COc1ccc(-c2ccc(=O)n(Cc3nc(-c4ccccc4C)no3)n2)cc1OC 16845641 HUHPHSCLOKGPLW-UHFFFAOYSA-N 404.426 3.334 0 40 HGAB Cc1cc(=O)[nH]c(-n2nc(C)c(CCC(=O)Nc3nc4c(C)cccc4s3)c2C)n1 16849707 XAZNAZIRJKMDHD-UHFFFAOYSA-N 422.514 3.370 0 40 HGAB COc1ccc(S(=O)(=O)N[C@@H](C)Cc2c[nH]c3c(C)cccc23)cc1NC(C)=O 19236645 YYMUKCNONJNLEW-AWEZNQCLSA-N 415.515 3.353 0 40 HGAB CN(C)C(=O)[C@]1(Cc2ccc(-c3ccc(F)cc3)cc2)CN(C(=O)C2CC2)CCO1 19580541 XDRCNVQWHWFYFV-DEOSSOPVSA-N 410.489 3.131 0 40 HGAB CCN(CC)S(=O)(=O)N1CCC[C@@H](c2ccc(Cc3cccc(OC)c3)cn2)C1 19688231 JFUGEEKARXKDCX-HXUWFJFHSA-N 417.575 3.447 0 40 HGAB COc1ccc(NC(=O)c2cnc([C@H]3CCN(Cc4ccccn4)C3)nc2C)cc1 19753824 GJRZRPRTPSKUHN-KRWDZBQOSA-N 403.486 3.430 0 40 HGAB COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCCC(C)C)cc1C 20009051 DMLOXSFARSEIOW-FQEVSTJZSA-N 418.559 3.056 0 40 HGAB Cc1ccc(F)cc1NC(=O)COc1ccc(S(=O)(=O)NCC(C)C)cc1C 20021563 BUJJMVSGZZHKIE-UHFFFAOYSA-N 408.495 3.394 0 40 HGAB CS(=O)(=O)N1C[C@@H](C(=O)Nc2c(Cl)cccc2Cl)Oc2ccccc21 20451011 FTAASXLNMZIBCD-AWEZNQCLSA-N 401.271 3.159 0 40 HGAB O=C(COC(=O)c1cn(Cc2ccccc2)nc1-c1cccs1)NCC(F)(F)F 21464059 NAAQHWQKZOYNEO-UHFFFAOYSA-N 423.416 3.495 0 40 HGAB Cc1sc(NC(=O)CCN2C(=O)CCC2=O)nc1-c1ccc(Br)cc1 21598353 WSMXHARQPUEVEE-UHFFFAOYSA-N 422.304 3.359 0 40 HGAB CC(C)(C)OC(=O)NCCNc1cc2c(cc1F)c(=O)c(C(=O)O)cn2C1CC1 22053475 LKODMWGXEQVSOF-UHFFFAOYSA-N 405.426 3.110 0 40 HGAB in-vitro CCOc1ccccc1N(CC(=O)N[C@H](C)c1ccc(C)c(C)c1)S(C)(=O)=O 22333089 WIZXGAVUSLUELN-QGZVFWFLSA-N 404.532 3.346 0 40 HGAB CCOC(=O)c1ccnn1CN1CCN(C(c2ccccc2)c2ccccc2)CC1 22912099 JJDPGJUDIFTCCE-UHFFFAOYSA-N 404.514 3.425 0 40 HGAB C[C@@H](C(=O)NCc1cccs1)N1CCN(CCOc2ccc(Cl)cc2)CC1 22931675 XWMMHLGNZCWZIO-INIZCTEOSA-N 407.967 3.103 0 40 HGAB C[C@@H](C1CC1)N(CC(F)(F)F)C(=O)CSc1nnc(-c2ccc(F)cc2)n1N 23601164 KLZQUQHHDLVXDJ-JTQLQIEISA-N 417.432 3.080 0 40 HGAB Cn1ccnc1[C@H](NC(=O)CCC(=O)c1ccc2c(c1)OCCO2)c1cccc(F)c1 23779364 DKGDKDNGBNJIIJ-JOCHJYFZSA-N 423.444 3.199 0 40 HGAB O=C(Cn1cc(C(F)(F)F)ccc1=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 24993492 DIMIVAWPYVZGQC-MRXNPFEDSA-N 422.403 3.392 0 40 HGAB CCS(=O)(=O)c1ccc(O)c(NC(=O)Cc2nc(-c3ccccc3)oc2C)c1 29192947 CSWMNXKKNFYONL-UHFFFAOYSA-N 400.456 3.330 0 40 HGAB CCOC(=O)c1ccc(N2CCN(C(=O)Cc3cccc4ccccc34)CC2)nc1 30437802 NJHACXOLPVVUFY-UHFFFAOYSA-N 403.482 3.303 0 40 HGAB CSCC[C@H](C(=O)NC1C2CC3CC(C2)CC1C3)N1C(=O)c2ccccc2C1=O 32721503 RYTWKBGRQNQGPX-IWTNNEHZSA-N 412.555 3.345 0 40 HGAB COc1ccc2cc([C@@]3(C)NC(=O)N(Cc4nc(-c5ccco5)no4)C3=O)ccc2c1 32754345 RKDAHQUMVYCDNK-JOCHJYFZSA-N 418.409 3.459 0 40 HGAB C[C@@H]1CCCN(Cc2csc(NC(=O)C3=NN(c4ccccc4)C(=O)CC3)n2)C1 32869028 RNHSMLJTUCPDLL-OAHLLOKOSA-N 411.531 3.497 0 40 HGAB Cc1nc(NC(=O)CNC(=O)c2ccc(F)cc2)sc1-c1nccn1C(F)F 32905171 VMRYKBLRMOHONB-UHFFFAOYSA-N 409.393 3.218 0 40 HGAB CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N[C@H](C)CC)cc2)cc1 33713928 YLGBTDHZFIIALY-OAHLLOKOSA-N 406.504 3.180 0 40 HGAB Cc1ccccc1OCC(=O)Nc1nnc(-c2ccc(S(=O)(=O)C(C)C)cc2)o1 36660475 LJGQZAKQHSADJO-UHFFFAOYSA-N 415.471 3.245 0 40 HGAB CC(=O)N1CCCc2cc([C@H](O)CN3CCN(c4cccc(Cl)c4)CC3)ccc21 36741185 SBTNUWYLAXYPAN-HSZRJFAPSA-N 413.949 3.495 0 40 HGAB Cc1cc(S(=O)(=O)Nc2cccc(I)c2)sc1C(=O)O 37238987 ZAMWHWCAPAYRHM-UHFFFAOYSA-N 423.253 3.160 0 40 HGAB CCOc1cc([C@H]2CC(=O)N=C3NC=NN32)ccc1OCCOc1ccccc1C 38200076 HOEUXIDEMPPYPC-QGZVFWFLSA-N 408.458 3.027 0 40 HGAB CC(=O)Nc1cc(C)nn1-c1ccc(NS(=O)(=O)c2cc(F)ccc2F)cc1 40088144 SACOPIIRJRGDLE-UHFFFAOYSA-N 406.414 3.218 0 40 HGAB Cc1cc(C(=O)N2CCN(C(=O)Nc3cccc(Cn4cccn4)c3)CC2)c(C)o1 40152275 RLBFGLBLZHFWMQ-UHFFFAOYSA-N 407.474 3.131 0 40 HGAB COC(=O)CN(Cc1ccccc1)Cn1nc(-c2ccccc2F)n(C)c1=S 40158171 WQQODIHAUAWISQ-UHFFFAOYSA-N 400.479 3.390 0 40 HGAB CC[C@H](C)n1c(=O)c2ccccc2n(CC(=O)N[C@H](C)CCc2ccccc2)c1=O 44840394 QPYCTXHMPBZKRZ-MSOLQXFVSA-N 407.514 3.272 0 40 HGAB Cc1ccc(Oc2nccn3c(=O)n(CC(=O)Nc4c(C)cccc4C)nc23)cc1 49008281 VQJPEDSZZJWUKB-UHFFFAOYSA-N 403.442 3.247 0 40 HGAB CCc1ccccc1NC(=O)Cn1nc2c(Oc3ccccc3C)nccn2c1=O 49008569 JFWYLXMUKFNLLR-UHFFFAOYSA-N 403.442 3.193 0 40 HGAB O=C(CCCn1cnc2ccccc2c1=O)N1CCN(C/C=C/c2ccccc2)CC1 53664378 UINZOZDAGDZJGM-UXBLZVDNSA-N 416.525 3.034 0 40 HGAB Cc1nn(-c2ccccc2)c(C)c1N1CCN(C(=O)c2ccc3nsnc3c2)CC1 56907897 ZZKGBJHNFVFDGJ-UHFFFAOYSA-N 418.526 3.456 0 40 HGAB Cc1nc2cc(O)nn2c(C)c1CCC(=O)NCc1cc(Br)cs1 64355227 YGZSHJUSMCSJSM-UHFFFAOYSA-N 409.309 3.125 0 40 HGAB CC(=O)c1ccc(N2CCN(C(=O)c3n[nH]nc3Nc3ccc(Cl)cc3)CC2)cc1 67284352 HHDIMUOGFIVUPU-UHFFFAOYSA-N 424.892 3.367 0 40 HGAB Cc1ccc2c(c1)C(=O)NCC1(CCC(N(C)S(=O)(=O)c3ccccc3)CC1)O2 72391115 GIFDIVNOBKQSOC-UHFFFAOYSA-N 414.527 3.119 0 40 HGAB COCCOc1ccc(CN2CCC[C@@H](c3cc(C(F)F)n4ncnc4n3)C2)cc1 72395326 VNYLCXRKCRLXON-MRXNPFEDSA-N 417.460 3.467 0 40 HGAB Cc1nn(C)c2ncc(C(=O)N[C@@H]3CCCC[C@@H]3CNC(=O)OC(C)(C)C)cc12 78877507 JDPVNWIJPHNXOA-RHSMWYFYSA-N 401.511 3.090 0 40 HGAB O=C(NC1CCCC1)N1CCC[C@H](C(=O)N2CCN(c3cccc(Cl)c3)CC2)C1 78964307 SWPHPWREGZTMDT-KRWDZBQOSA-N 418.969 3.353 0 40 HGAB CSCC[C@@H](Nc1nc(C)cc(C)n1)C(=O)N1CCO[C@@H](c2ccccc2)C1 95478946 OZLRBWYIVGILKH-RTBURBONSA-N 400.548 3.227 0 40 HGAB CCOCCCNC(=O)c1nc(-c2cn(Cc3csc(C)n3)cn2)n2ccccc12 96037965 HZSICZILMSCNMA-UHFFFAOYSA-N 424.530 3.167 0 40 HGAB CC(C)CNC(=O)C[C@H]1CC2(CCN(Cc3cnn(C)c3)CC2)Oc2ccccc21 96053513 PUEZNTPSZAASHP-FQEVSTJZSA-N 410.562 3.483 0 40 HGAB O=C(N[C@@H](c1ccccn1)[C@H]1CCCN(C(=O)C2[C@H]3CCCC[C@H]23)C1)[C@@H]1CCCO1 100243664 SQEXUZFWXRQSRK-QWRJVSGHSA-N 411.546 3.093 0 40 HGAB N[C@H](C(=O)NC[C@H]1CC[C@H](c2ccnc(Nc3ncccn3)n2)CC1)c1ccccc1 100708858 NMJOVTIISUQYDJ-QKLQHJQFSA-N 417.517 3.100 0 40 HGAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCCN(C)C)cc2Cl)cc1 216437736 LXTDIWKQQHVJGE-UHFFFAOYSA-N 409.939 3.131 0 40 HGAB CCS(=O)(=O)N1C[C@H](C(=O)N[C@@H](C)c2ccc(C)c(C)c2)Oc2ccccc21 218794274 QWHLKNGGOFKCCZ-OXJNMPFZSA-N 402.516 3.098 0 40 HGAB Cc1cccc(N(CCCC(=O)N[C@@H](C)COc2ccccc2C)S(C)(=O)=O)c1 219622330 IIOBVNBQMXPILV-IBGZPJMESA-N 418.559 3.433 0 40 HGAB COc1ccc(C)cc1N([C@H](C)C(=O)NCCCc1ccc(F)cc1)S(C)(=O)=O 220342880 FHRIKCXYUXYUNW-MRXNPFEDSA-N 422.522 3.046 0 40 HGAB CC[C@H](C(=O)Nc1ccc2c(c1)OCCO2)N(c1cc(C)cc(C)c1)S(C)(=O)=O 220569065 NDGLMKKMZDWGLE-GOSISDBHSA-N 418.515 3.258 0 40 HGAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CN(Cc1ccccc1)S(C)(=O)=O 223300819 GEBGYJFTDGEWMZ-LJQANCHMSA-N 416.543 3.175 0 40 HGAB COc1cccc(N(CC(=O)N[C@@H](C)c2cc(C)c(C)cc2C)S(C)(=O)=O)c1 223413339 CEONRVWSBBXSRI-KRWDZBQOSA-N 404.532 3.264 0 40 HGAB Cc1ccc([C@@H](C)NS(=O)(=O)c2nnc(NC(=O)c3ccccc3)s2)c(C)c1 224361362 FXAZFHWWOLNYST-CQSZACIVSA-N 416.528 3.447 0 40 HGAB CNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)Cc1ccc(C)cc1 225465299 HUDFFKWOAOUAFZ-OAHLLOKOSA-N 403.320 3.463 0 40 HGAB CC(C)Oc1ccc(CCCNC(=O)[C@H](c2ccccc2)N(C)S(C)(=O)=O)cc1 225584508 VVQGJCLNNJPAGS-NRFANRHFSA-N 418.559 3.155 0 40 HGAB COCCOc1ncc(NC(=O)C2(c3ccc(OC)cc3)CCOCC2)cc1C 225878167 KQNSRGCBZURNLZ-UHFFFAOYSA-N 400.475 3.111 0 40 HGAB CCOC[C@]1(N)[C@@H](c2ccc(Br)cc2)[C@H]1S(=O)(=O)c1ccccc1 242543314 JWRTZKAFAOVYFU-KSZLIROESA-N 410.333 3.123 0 40 HGAB O=C(c1cc(O)nc(O)n1)N1CCCC[C@@H]1c1ncc(Cc2cccc(Cl)c2)o1 257210742 BVZCASZRHGPCRE-MRXNPFEDSA-N 414.849 3.487 0 40 HGAB CCn1cc(CN2CCO[C@H](c3cc(CCOc4cccc(Cl)c4)[nH]n3)C2)cn1 257222400 DTDHQYDNNLFCMO-NRFANRHFSA-N 415.925 3.475 0 40 HGAB NCCOc1cccc(C(=O)N2[C@@H](Cc3ccccc3)C[C@H]3NCCCCC[C@@H]32)c1 257324419 WOPOKOIXVBMLBG-QTJGBDASSA-N 407.558 3.382 0 40 HGAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)N2c3ccccc3C[C@H]2C)cc1C 260734233 GYGFMOGRPRJVPK-QGZVFWFLSA-N 416.543 3.382 0 40 HGAB CCOc1ccc(N([C@H](C)C(=O)N[C@@H](C)c2ccccc2OC)S(C)(=O)=O)cc1 260767691 OIOACVSCYUVGQO-JKSUJKDBSA-N 420.531 3.126 0 40 HGAB COc1ccc2cc(C(=O)N3CC[C@H](c4cccs4)S(=O)(=O)CC3)[nH]c2c1 390830917 OIRGDSBACXSEJG-GOSISDBHSA-N 404.513 3.240 0 40 HGAB COc1ccc(NC(=O)Cn2cc(C(=O)C(=O)N3CCCC3)c3ccccc32)cc1 408569116 IXAASZARCAPILM-UHFFFAOYSA-N 405.454 3.094 0 40 HGAB CCCCCNC(=O)CN(c1ccc(OCc2ccccc2)cc1)S(C)(=O)=O 409411994 PCVPLLUCQRMRON-UHFFFAOYSA-N 404.532 3.338 0 40 HGAB CC[C@H]1CO[C@H](C)CN1C(=O)CC1(CC(=O)N2C[C@@H](C)OC[C@H]2CC)CCCC1 517189124 HKLQSKJOOWEXFM-WTGUMLROSA-N 408.583 3.379 0 40 HGAB Cc1ccc(CC2CCN(C(=O)c3ccc4c(c3)NC(=O)CNC4=O)CC2)cc1C 552956003 BZEHWIHIEIUCLA-UHFFFAOYSA-N 405.498 3.080 0 40 HGAB COc1ccc([C@H](NC(=O)c2nn(-c3ccccc3C)c3c2CCC3)C(=O)O)cc1 554100385 NPDGVZCTYOZMFW-FQEVSTJZSA-N 405.454 3.234 0 40 HGAB O=C(CCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12)N[C@@]1(CO)CCOC1 680461935 FEEVZCHRQLJVQN-JOCHJYFZSA-N 400.425 3.313 0 40 HGAB COc1ccc2c(=O)n(CC3CCN(c4nc5cnccc5s4)CC3)cnc2c1 1889229456 YTGYIQYHJARUCX-UHFFFAOYSA-N 407.499 3.326 0 40 HGAB CC1(C)Cc2c(sc3nc(Cc4ccccc4)nc(N4CCN(C=O)CC4)c23)CO1 1241958 XHBXYLLYAANMMI-UHFFFAOYSA-N 422.554 3.412 0 40 HGAB COC(=O)[C@@H](C)Sc1nnc2c3cnn(-c4ccc(C)c(Cl)c4)c3ncn12 2400705 QHAPPWOEJLNLAV-SNVBAGLBSA-N 402.867 3.079 0 40 HGAB CSCC[C@@H]1NC(=O)N(CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)C1=O 3329668 FPMHCNGWRUONCD-JTQLQIEISA-N 410.710 3.259 0 40 HGAB Cc1cc(Cl)ccc1NC(=O)CSc1nc2ccccc2c(=O)n1CCCO 3454933 HOWMJSZKNUDMPH-UHFFFAOYSA-N 417.918 3.472 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3c(F)cccc3Cl)CC2)cc1C 3557495 PLMBWYUJSIMJQL-UHFFFAOYSA-N 410.898 3.243 0 40 HGAB CC(C)N1C(=O)C(=O)N(CC(=O)c2c(-c3ccccc3)n(C)c3ccccc23)C1=O 4503782 NEXHWUDJBZDETO-UHFFFAOYSA-N 403.438 3.227 0 40 HGAB Cc1c(C)c2ccc(OCC(=O)N3CCN(c4ccccc4)CC3)c(C)c2oc1=O 5346330 NYTAUCILEZZRNG-UHFFFAOYSA-N 406.482 3.446 0 40 HGAB O=C(OCC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc2c(=O)n3c(nc2c1)CCC3 6052814 SJVPSPXFUDTNCP-UHFFFAOYSA-N 406.482 3.285 0 40 HGAB C=CCOc1ccc(Cl)cc1/C=C1\NC(=O)N(Cc2ccc(C(=O)OC)o2)C1=O 6228891 PIHNGFAZNPUDNO-GDNBJRDFSA-N 416.817 3.377 0 40 HGAB Cc1cccc(Cn2c(=O)c3c(nc4n3C[C@@H](C)CN4c3ccccc3)n(C)c2=O)c1 6276218 LJDDMMXRYUEYDY-KRWDZBQOSA-N 415.497 3.041 0 40 HGAB O=C(Oc1ccc2c(c1)OCO2)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 6472091 HTUIZRYNHISILY-UHFFFAOYSA-N 403.456 3.199 0 40 HGAB O=C(CN1C(=O)NC2(CCCCC2)C1=O)c1ccc(NC(=O)c2ccccc2)cc1 7391978 ZSOFJXAGDSRCAH-UHFFFAOYSA-N 405.454 3.376 0 40 HGAB COc1cc(CNC(=O)COc2ccc(Br)cc2)cc(OC)c1OC 7889313 DYYUJBOYISYMRI-UHFFFAOYSA-N 410.264 3.170 0 40 HGAB Cc1c(Cl)cccc1NC(=O)CNC(=O)[C@H](NC(=O)Cc1ccccc1)C(C)C 7990384 ACDFKOOZWARREN-OAQYLSRUSA-N 415.921 3.087 0 40 HGAB O=C(COc1ccccc1)NCC(=O)Nc1nc2ccc(Br)cc2s1 8775751 NIFBCWVASNHORA-UHFFFAOYSA-N 420.288 3.193 0 40 HGAB O=C(NCc1ccc(Cl)cc1Cl)[C@@H]1CCCN(c2ncnc3[nH]cnc23)C1 9059584 VMXIPMFZSGTSRA-GFCCVEGCSA-N 405.289 3.193 0 40 HGAB COc1ccc(CCC(=O)Nc2cccc(-c3ccc(S(C)(=O)=O)nn3)c2)cc1 9626673 PQQZLCQPVHFJAV-UHFFFAOYSA-N 411.483 3.127 0 40 HGAB CCOc1ccc(-c2ccc(=O)n(CCNC(=O)c3ccc4ccccc4n3)n2)cc1 9844427 JXGGZAOFHRBKLN-UHFFFAOYSA-N 414.465 3.287 0 40 HGAB COC(=O)[C@H](CCSC)NC(=O)c1cc(-c2ccc(OC)c(OC)c2)oc1C 10127489 GAEKHYLDFQGQFS-HNNXBMFYSA-N 407.488 3.297 0 40 HGAB CCN(CC)C(=S)SCC(=O)N(C)CC(=O)Nc1ccccc1C(F)(F)F 10153985 BETAILXXWLZVHQ-UHFFFAOYSA-N 421.510 3.462 0 40 HGAB O=C(CSc1nnnn1-c1cccc(F)c1)Nc1ccc(CN2CCCC2)cc1 10216969 IZPNDAWWFCGFGE-UHFFFAOYSA-N 412.494 3.128 0 40 HGAB CCOC(=O)c1cccc(NC(=O)[C@@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)c1C 10443464 BRRKADZLSLQTTC-CQSZACIVSA-N 422.478 3.104 0 40 HGAB CCOC(=O)c1c(C)oc2ncn(CC(=O)N[C@H](c3cccs3)C(C)C)c(=O)c12 11188484 KHYJBAFXHFFNMQ-KRWDZBQOSA-N 417.487 3.050 0 40 HGAB COc1cc(NC(=O)[C@H](C)NC(=O)c2ccccc2Cl)ccc1N1CCCC1=O 11446053 OJVXOEQEUSYMNO-ZDUSSCGKSA-N 415.877 3.232 0 40 HGAB CCCCC(=O)N1CCC[C@@H](c2nc(N3CCOCC3)ncc2-c2cccnc2)C1 12120615 AEJBFHXLTJCYGW-LJQANCHMSA-N 409.534 3.271 0 40 HGAB COc1ccc(CC(=O)N2CCC[C@H](c3nc4ccc(F)cc4cc3C(N)=O)C2)cc1 12328478 QXPYVOIOQSNSFK-INIZCTEOSA-N 421.472 3.430 0 40 HGAB Cc1ccc2[nH]c(CN3[C@H]4CC[C@@H]3CC(O)(Cn3nc(C)ccc3=O)C4)c(C)c2c1 12366104 DVAHPMTWRRIOOR-QRQCMCJISA-N 406.530 3.208 0 40 HGAB CN(Cc1nccn1C(F)F)C(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 12535852 DPYVTBSHWGBOQZ-UHFFFAOYSA-N 420.441 3.351 0 40 HGAB Cc1cccc(-c2n[nH]c(=S)n2CC(=O)N2CCN(c3ccccc3F)CC2)c1 12537998 FFYPSTPUIGJVEO-UHFFFAOYSA-N 411.506 3.404 0 40 HGAB CCCOc1ccc(N2C(=O)C[C@@H](Nc3ccc4c(c3)CCN4C(C)=O)C2=O)cc1 12545701 VGFNTNPFQIRFSX-HXUWFJFHSA-N 407.470 3.128 0 40 HGAB COc1ccc([C@H](NC(=O)c2cccc(Nc3ncccn3)c2)c2nccn2C)cc1 12552524 YKMZFNKBLMTEBU-FQEVSTJZSA-N 414.469 3.482 0 40 HGAB CN(CC(=O)Nc1cccc(F)c1)C(=O)CCNC(=O)c1ccc(C(C)(C)C)cc1 12772738 VBVMHGFXFVSDFX-UHFFFAOYSA-N 413.493 3.340 0 40 HGAB COc1ccc(C(=O)NCCCc2ccccc2)cc1S(=O)(=O)NC1CCCC1 13057976 NORCFWGWFSDEHD-UHFFFAOYSA-N 416.543 3.279 0 40 HGAB CC(=O)Oc1ccc(/C=C(\NC(=O)c2ccco2)C(=O)NCc2ccccc2)cc1 13424466 VNIWVCNRRUOGDM-ZHZULCJRSA-N 404.422 3.292 0 40 HGAB COc1ccc(-c2ccc(=O)n(CCNC(=O)Nc3cc(C)cc(C)c3)n2)cc1OC 13602732 PVBRMNNQUMSDFR-UHFFFAOYSA-N 422.485 3.366 0 40 HGAB COc1cc2c(cc1OC)CN(C(=O)CN1C(=O)c3cccc4cccc1c34)CC2 14214622 UWRVGVGPPRELIY-UHFFFAOYSA-N 402.450 3.402 0 40 HGAB COc1ccc(-c2cc(C(F)(F)F)nc(S[C@H]3C[C@@H](O)[C@@H]4OC[C@H]3O4)n2)cc1 15240723 VTGVURHSGJTLAM-HGTKMLMNSA-N 414.405 3.138 0 40 HGAB O=C(C1CC1)N1CCc2c(O)nc([C@@H]3CCCCN3C(=O)C3CCCCC3)nc2C1 19014683 FCFBNSCBVWQFIC-IBGZPJMESA-N 412.534 3.111 0 40 HGAB COc1ccc(-c2nnc3n2[C@H]2CCCC[C@@H]2N(C(=O)c2cc(C)no2)C3)cc1OC 19119985 DOHFQQRPKSIPJS-HOTGVXAUSA-N 423.473 3.398 0 40 HGAB O=c1cc([C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2)nc(N2CCOCC2)[nH]1 19293308 VZJWIMBQOFLRRV-INIZCTEOSA-N 422.451 3.005 0 40 HGAB CCNC(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CCN(C(=O)c2ccn(C)n2)C1 19529073 WRRNMBAEYGXNLV-QHCPKHFHSA-N 422.554 3.360 0 40 HGAB COc1ccc([C@@H]2CN(C(=O)C3CCC3)[C@H]3CCN(C(=O)c4ccncc4)C[C@H]32)cc1 19557281 GCQUCBWLZXJNFP-VABKMULXSA-N 419.525 3.347 0 40 HGAB CCCOc1ccc(C(=O)CCNc2ccc3c(c2)CCN3S(C)(=O)=O)cc1 19626879 CLYJPVCNHRQOMI-UHFFFAOYSA-N 402.516 3.482 0 40 HGAB CNC(=O)c1ccc(-c2ccc(CNC(=O)CCN3CCCC[C@@H]3C)cc2)nc1C 19700569 XPNNHKXBIBMHFG-KRWDZBQOSA-N 408.546 3.297 0 40 HGAB CCCN1C(=O)[C@@](NC(=O)c2cccc(OC)c2)(C(F)(F)F)N=C1c1ccccc1 19939567 ONKMCZQNMVHVKA-HXUWFJFHSA-N 419.403 3.383 0 40 HGAB COc1ccc(Cl)cc1N([C@H](C)C(=O)N(C)Cc1ccc(C)cc1)S(C)(=O)=O 20458496 BLGRNTCTJVYLRS-OAHLLOKOSA-N 424.950 3.470 0 40 HGAB C[C@@H](Sc1nc(-c2ccc(Cl)cc2)n[nH]1)C(=O)Nc1ccc(C(N)=O)cc1 22557385 LDHMFLDRMRJLGX-SNVBAGLBSA-N 401.879 3.343 0 40 HGAB C[C@H](C(=O)NCCc1ccc(F)cc1)N1CCN(Cc2ccc(Cl)cc2)CC1 22779522 SKZKMNPAOFRRFE-QGZVFWFLSA-N 403.929 3.344 0 40 HGAB CCOC(=O)CN(C(=O)CSc1nnc(NCC(C)C)s1)c1ccccc1 23226853 PUFIRUKQCATYNG-UHFFFAOYSA-N 408.549 3.294 0 40 HGAB O=C(c1nc(-c2ccccc2)n(-c2ccccc2)n1)N1CCN(Cc2ccncc2)CC1 23968446 KMBYWXWNEJARAU-UHFFFAOYSA-N 424.508 3.287 0 40 HGAB Cc1ccc(S(=O)(=O)NCCNc2nc(-c3ccncc3)nc3ccccc23)cc1 24215671 VLGMWXKZTSHQRM-UHFFFAOYSA-N 419.510 3.391 0 40 HGAB COCCn1nc(C(=O)Nc2ccc(Cc3nc4ccccc4s3)cc2)ccc1=O 27226373 LKTQSDQZJGFBFS-UHFFFAOYSA-N 420.494 3.343 0 40 HGAB CCN(CC)[C@H](CNC(=O)c1ccc2c(c1)C(=O)N(C)C2=O)c1ccccc1Cl 27579842 SZBNBAMHPRWBPA-LJQANCHMSA-N 413.905 3.379 0 40 HGAB CCOC(=O)c1cnn(-c2ccc(C(=O)N3CCn4c3nc3ccccc34)cc2)c1C 30604414 AYNHKWFGEXSGEK-UHFFFAOYSA-N 415.453 3.368 0 40 HGAB CS(=O)(=O)c1ccc(S(=O)(=O)NCc2cccc(Oc3ccccc3)c2)cc1 32469811 VPBSFEVVNKTKQN-UHFFFAOYSA-N 417.508 3.361 0 40 HGAB Cc1ccc(S(=O)(=O)CCC(=O)O[C@@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)cc1 32636263 VGBOIYAFJLMOBL-HOTGVXAUSA-N 421.490 3.107 0 40 HGAB NC(=O)[C@@H]1CN(C(=O)c2cccc(OCc3ccc(F)cc3)c2)c2ccccc2O1 32727739 NWXUTIVFDGHJSK-NRFANRHFSA-N 406.413 3.298 0 40 HGAB CC(C)[C@@H](NC(=O)c1cccs1)C(=O)NCCc1cc(Cl)c2c(c1)OCCO2 32854748 NMXDFPLPHANWEZ-QGZVFWFLSA-N 422.934 3.286 0 40 HGAB CN(C)S(=O)(=O)c1ccc(CSc2nnc(C3CC3)n2Cc2ccccc2)o1 32933464 LKPYPWQWSKXQOS-UHFFFAOYSA-N 418.544 3.339 0 40 HGAB CCOC(=O)C1=C(C)N=c2s/c(=C/C=C/c3ccco3)c(=O)n2[C@@H]1c1ccccc1 33369745 LXDSXHRYVSDJGD-SBFNADHBSA-N 420.490 3.056 0 40 HGAB O=C(CC(=O)N1Cc2cc3c(cc2C2(CCCC2)C1)OCCO3)Nc1nccs1 36395208 HJKWTENSMCAKRB-UHFFFAOYSA-N 413.499 3.097 0 40 HGAB Cc1nn2c(=O)cc(CSc3nnc(-c4ccc(Cl)cc4)n3C)nc2s1 40119276 BCUSORCBLJLQSX-UHFFFAOYSA-N 404.908 3.201 0 40 HGAB COc1ccccc1C(=O)Nc1c(F)c(C(=O)Nc2ccc(C(C)=O)cc2)nn1C 41070598 HHTDMBDSHCVSEY-UHFFFAOYSA-N 410.405 3.275 0 40 HGAB C[C@@H](NC(=O)N[C@H](C)c1nc2ccccc2[nH]1)c1cccc(NS(C)(=O)=O)c1 56925914 SZHYJUGPYPAWKF-CHWSQXEVSA-N 401.492 3.056 0 40 HGAB COC(=O)/C(=C\Nc1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(C)c(C)c1 67340525 SOGKIXDCLCGWJQ-XDHOZWIPSA-N 405.472 3.221 0 40 HGAB Cn1cccc1C(=O)N1CCCC[C@H]1CCOC(=O)c1cnn(C)c1C(F)(F)F 69535826 WXSPNQKIYZCFQE-ZDUSSCGKSA-N 412.412 3.019 0 40 HGAB O=C(Nc1ccc2c(c1)CCC(=O)N2Cc1ccc(Cl)cc1)[C@@H]1COCCO1 71839227 FWJSJOCDBWWXCW-IBGZPJMESA-N 400.862 3.173 0 40 HGAB Cc1noc(C)c1CCC(=O)Nc1ccccc1[C@H]1NC(=O)c2cccnc2N1C 72347383 UZNITPBOHXYIJD-NRFANRHFSA-N 405.458 3.136 0 40 HGAB Cc1ccc(-n2nc(C)cc2NC(=O)c2cc(Br)cnc2Cl)nn1 79026718 LGLJZCKHWIYJMG-UHFFFAOYSA-N 407.659 3.342 0 40 HGAB C[C@@H](NC(=O)C(=O)NCc1ccc([C@H](O)c2cccs2)s1)c1ccccc1 90613733 PHBRAGJVDZMCRN-FZKQIMNGSA-N 400.525 3.385 0 40 HGAB Cc1cc(C(C)(C)C)ccc1OC[C@H](O)Cn1cnc2c(N3CCCC3)ncnc21 95398732 HHHNEQHBECAFDC-GOSISDBHSA-N 409.534 3.472 0 40 HGAB O=C1[C@H]2C=C(S(=O)(=O)N3CCCCC3)C=CC2=NN1Cc1c(F)cccc1Cl 96096355 GRBXFUWSPGSBNK-AWEZNQCLSA-N 423.897 3.063 0 40 HGAB CC(C)n1c(CCCNC(=O)[C@@H]2CCCN(c3ncccn3)C2)nc2ccccc21 96231099 AUUHMMNKDUYEBL-GOSISDBHSA-N 406.534 3.373 0 40 HGAB COc1ccc(-c2cc(N3CCN(C(=O)c4ccc(NC(C)=O)cc4)CC3)[nH]n2)cc1 98212541 RGKBUJCRPUDHRX-UHFFFAOYSA-N 419.485 3.006 0 40 HGAB CC(C)(C)c1ccc(OCCNC(=O)CCN2C(=O)[C@H]3CCCC[C@H]3C2=O)cc1 102913051 IPDYUAUCNDBCLA-KDURUIRLSA-N 400.519 3.044 0 40 HGAB O=C(COC(=O)c1ccccc1N1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)c1ccccc1 104246103 MZWAKOAEORXZOL-LVNJIZSUSA-N 403.434 3.262 0 40 HGAB COc1ccc(/C=C2\SC(=O)N(CC(=O)N3CCCCCC3)C2=O)c(OC)c1C 107889581 KKZJZOZJCVWGEQ-ATVHPVEESA-N 418.515 3.451 0 40 HGAB CS(=O)(=O)N(Cc1ccccc1)c1ccccc1C(=O)Nc1ccccc1C(N)=O 113938507 BTZQMHPNSWAJPX-UHFFFAOYSA-N 423.494 3.004 0 40 HGAB Cc1ccc(C(=O)COC(=O)c2cccnc2SCC(=O)N2CCCC2)cc1C 215690237 BDCISQFZYBNFRC-UHFFFAOYSA-N 412.511 3.453 0 40 HGAB COC(=O)c1ccc(CS(=O)(=O)Nc2ccccc2C(=O)N2CCCCC2)cc1 216338738 KNACDWHCTRUVKH-UHFFFAOYSA-N 416.499 3.041 0 40 HGAB CCSc1ccccc1NC(=O)CCCN1C(=O)c2ccccc2S1(=O)=O 219446783 IUDSEWFVHIBDMK-UHFFFAOYSA-N 404.513 3.362 0 40 HGAB COCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc(C(=O)O)c1 223022696 VYYIHEKARVCQKW-UXHICEINSA-N 422.510 3.189 0 40 HGAB COc1ccc(N(CCCC(=O)NCCSC2CCCC2)S(C)(=O)=O)cc1 224582180 DDBMSYHUDTXFIS-UHFFFAOYSA-N 414.593 3.033 0 40 HGAB O=C(COc1ccc(NC(=O)C2(c3ccccc3)CCOCC2)cc1)N1CCCC1 225560860 RLZXEQFXWBDEJX-UHFFFAOYSA-N 408.498 3.375 0 40 HGAB COC1CCN(c2ccc(C(=O)N3CC(N4CCc5ccccc5C4)C3)cc2)CC1 253472681 OLQOCTYXWBDCJD-UHFFFAOYSA-N 405.542 3.185 0 40 HGAB COc1ccccc1-c1cccc(C[C@]2(C(=O)NCCn3ccnc3)CCCO2)c1 257225677 FHHNWFXXFRIEFP-DEOSSOPVSA-N 405.498 3.467 0 40 HGAB COc1c(C)cccc1CN1CCC[C@@H](c2nn(CCNC(C)=O)c3ncccc23)C1 257243402 IGUQCKGJSXTZGK-LJQANCHMSA-N 421.545 3.264 0 40 HGAB COc1ccc(F)cc1-c1cccc(CC2(C(=O)N[C@H](C)CO)CCOCC2)c1 257267491 MHNFQZWQLNPTEX-MRXNPFEDSA-N 401.478 3.338 0 40 HGAB COc1cccc(CN2C[C@H]3[C@H](C2)n2cccc2C(=O)N3Cc2csc(C)n2)c1 306126196 DPESYCFYQLYJHI-SFTDATJTSA-N 408.527 3.343 0 40 HGAB C[C@@H](OC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1)C(=O)c1ccccc1 408855080 DEAMIHXVTPCWPU-KDOFPFPSSA-N 421.902 3.308 0 40 HGAB COc1ccc(OC)c(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)c1 408871529 HBPNNSBVVYDUKC-QGZVFWFLSA-N 424.906 3.149 0 40 HGAB Cc1cc(Br)c(NC(=O)[C@@H]2C[C@H](O)CN2C(=O)OC(C)(C)C)cc1C 408996711 ACRIGGNRSVKWNR-WFASDCNBSA-N 413.312 3.375 0 40 HGAB COCCN1C(=O)S/C(=C/c2cc(Br)c(OC)cc2OC)C1=O 409147596 VISVNJODOJKTHL-NTUHNPAUSA-N 402.266 3.149 0 40 HGAB COc1ccc(/C=C2\SC(=O)N(CC(=O)NCc3ccc(C)cc3)C2=O)cc1O 409213897 UHPDCNFKHOPZJL-ZDLGFXPLSA-N 412.467 3.062 0 40 HGAB CCNS(=O)(=O)[C@@H]1CCN(C(=O)Nc2ccnc(Oc3ccccc3Cl)c2)C1 537845848 XPLVBQUWDZFYJB-CQSZACIVSA-N 424.910 3.073 0 40 HGAB Cn1cc(-c2cncc(CNC(=O)CC3CCN(C(=O)OC(C)(C)C)CC3)c2)cn1 575616702 NUJXCPWNVJSSTD-UHFFFAOYSA-N 413.522 3.136 0 40 HGAB Cc1cc(OC[C@]2(CC(N)=O)CN(C(=O)C3CCCCC3)CCO2)ccc1Cl 585286732 QOEQRNYNOIWBKV-NRFANRHFSA-N 408.926 3.081 0 40 HGAB Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccn2)c2ccc(F)cc2)cc1 886357 VLAFPZPNCUETGR-UHFFFAOYSA-N 413.474 3.041 0 40 HGAB Cc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)Nc2ccc(O)cc2)cc1 949132 BKJDUOMYSXPYBJ-QFIPXVFZSA-N 422.506 3.455 0 40 HGAB COc1ccc(-n2ncc3c(=O)n(CC(=O)Nc4ccc(C(C)C)cc4)cnc32)cc1 1330832 BZZXHESWLZXVOM-UHFFFAOYSA-N 417.469 3.353 0 40 HGAB CCCN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@H]2c2cccc(OC)c2)C1=O 2104196 LXGPIGVVTJWDTF-NZQKXSOJSA-N 403.482 3.271 0 40 HGAB biogenic Cc1ccc(-c2nc(N)sc2CC(=O)OCC(=O)N2CCc3ccccc32)cc1 2631444 QKTDRVHVGXKPMY-UHFFFAOYSA-N 407.495 3.376 0 40 HGAB CNC(=O)c1ccsc1NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1 4270368 BJWQUXSFXGTSMI-UHFFFAOYSA-N 415.496 3.161 0 40 HGAB COc1ccc(-c2noc(CNC(=O)c3ccc(Br)o3)n2)cc1OC 4943801 UYUKGWOPLVUMFN-UHFFFAOYSA-N 408.208 3.039 0 40 HGAB COc1ccc(Cc2nnc(SCC(=O)Nc3ccc(C)c(C)c3)[nH]c2=O)cc1 5154709 UHLCFQATMICHNX-UHFFFAOYSA-N 410.499 3.112 0 40 HGAB C[C@H]1CCc2nc(NC(=O)[C@H]3CCCN3S(=O)(=O)c3cccs3)sc2C1 5298741 ABZYNGDSOMSHOR-WCQYABFASA-N 411.574 3.121 0 40 HGAB O=C(Cn1c2ccccc2c2nc3n(c(=O)c21)CCS3)NCCCc1ccccc1 5451890 JWDOHWFXOXTOMS-UHFFFAOYSA-N 418.522 3.206 0 40 HGAB CCOc1ccc(CCNC(=O)COC(=O)Cc2ccc(F)cc2)cc1OCC 5633332 OFSNQWSRIXBXDY-UHFFFAOYSA-N 403.450 3.068 0 40 HGAB CCn1nnc2cc(C(=O)OCC(=O)Nc3ccc(OC(F)(F)F)cc3)ccc21 5805276 VSTUHXJNQRCHEV-UHFFFAOYSA-N 408.336 3.145 0 40 HGAB Cc1cc(C)cc(NC(=O)Cn2c(=O)n(C3CCCCC3)c(=O)c3cccnc32)c1 6805167 QRIMINYZFAHTJL-UHFFFAOYSA-N 406.486 3.319 0 40 HGAB O=C(COC(=O)CCC(=O)c1ccc2c(c1)OCCO2)Nc1ccc2c(c1)CCC2 6945401 NVNZLNMWYMVJOC-UHFFFAOYSA-N 409.438 3.091 0 40 HGAB Cc1ccc([C@@]2(C)NC(=O)N(C[C@H](O)COc3cccc4ccccc34)C2=O)cc1 7201117 ARMMEFOMPPSBKE-YADARESESA-N 404.466 3.355 0 40 HGAB Cc1cccc(OCC(=O)Nc2sc3c(c2C(=O)N2CCOCC2)CCCC3)c1 7214315 OIEKEKFLQBEGKI-UHFFFAOYSA-N 414.527 3.425 0 40 HGAB O=S(=O)(Nc1ccccc1NS(=O)(=O)c1ccc(F)cc1)c1ccccc1 7409743 RJJFKTXJQMGLFA-UHFFFAOYSA-N 406.460 3.427 0 40 HGAB O=C(CSc1nnnn1-c1ccc(Cl)cc1)Nc1ccnn1C1CCCC1 8133680 JGNDFHOJSFTXCI-UHFFFAOYSA-N 403.899 3.358 0 40 HGAB O=C(CSc1nnc2ccccn12)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 8540828 AZYQYZZMZYIBIT-INIZCTEOSA-N 410.499 3.346 0 40 HGAB COc1ccc([C@H](CNC(=O)c2ccc(-n3cncn3)cc2)N2CCCCC2)cc1 8709512 XNSRTJZSUUPQOW-QFIPXVFZSA-N 405.502 3.233 0 40 HGAB O=C(Cn1cc(S(=O)(=O)c2ccccc2)c2ccccc21)NCc1ccccn1 8865152 VXDBPDDRDCYOCZ-UHFFFAOYSA-N 405.479 3.186 0 40 HGAB COCCN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@H]1c1ccc(OC)c(OC)c1 8869536 VGOLZBYZPZOQFJ-HXUWFJFHSA-N 409.438 3.310 0 40 HGAB CCC[C@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 9974082 TWVAJSKLEULZSR-UONOGXRCSA-N 417.369 3.155 0 40 HGAB COc1ccc(N([C@@H](C)C(=O)NC2CCCCCC2)S(C)(=O)=O)cc1Cl 10332637 FQRPMCPYUMLJNO-ZDUSSCGKSA-N 402.944 3.342 0 40 HGAB O=C(Cn1c(=O)n(-c2cccc(Cl)c2)c(=O)c2ccccc21)Nc1ccccc1 10338798 DDLCYPAJCWLFEF-UHFFFAOYSA-N 405.841 3.445 0 40 HGAB O=C(NCCCN1CCCC1)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1 10450148 CDUGDPJDNXAUNM-JOCHJYFZSA-N 413.543 3.270 0 40 HGAB COc1cc(Cl)c(NC(=O)CCN2C(=O)[C@@H](C)Oc3ccccc32)cc1OC 10592597 PZGNNBIBXHYRLZ-GFCCVEGCSA-N 404.850 3.500 0 40 HGAB C[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccccc2N2CCCCC2)C1=O 12523358 LWSTYEHKQMLCRY-HSZRJFAPSA-N 406.486 3.083 0 40 HGAB C[C@H](NC(=O)CCn1nc(-c2cccs2)oc1=O)c1ccc(-n2ccnc2)cc1 12547651 KXFVJCIVGNRWQU-AWEZNQCLSA-N 409.471 3.018 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(N(C)C)c(NC(=O)Cc2ccc(C)cc2)c1 12639507 AJYHSOMYNZKPAS-UHFFFAOYSA-N 403.548 3.273 0 40 HGAB O=C(Nc1ccccc1Br)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 12871589 JRTWDHYNMOXZLK-GFCCVEGCSA-N 417.259 3.212 0 40 HGAB O=C(Nc1nc2ccc(F)cc2s1)c1ccc(=O)n(CCOc2ccccc2)n1 12923238 WPBNWLLKEOURMN-UHFFFAOYSA-N 410.430 3.323 0 40 HGAB CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)CCn1c(=O)oc2ccccc21 12998909 HECIWRKFCQWMTD-UHFFFAOYSA-N 422.268 3.389 0 40 HGAB C[C@H](NC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)C12CC3CC(CC(C3)C1)C2 13000645 PBMFZAACQOLNLL-PIRDJBJRSA-N 421.541 3.101 0 40 HGAB C[C@H](NC(=O)CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)c1ccccc1 13073257 TVPUVJLDUBUMNG-ZDUSSCGKSA-N 416.421 3.131 0 40 HGAB O=S(=O)(c1ccc2c(c1)OCCCO2)N1CCN(c2ccccc2Cl)CC1 13098146 LMBLLJKXNWNBLW-UHFFFAOYSA-N 408.907 3.012 0 40 HGAB O=C(O)C1CCN(C(=O)CCN2C(=O)S/C(=C\c3ccccc3Cl)C2=O)CC1 13572338 GXWDPVGZEKEMIO-PTNGSMBKSA-N 422.890 3.090 0 40 HGAB CCC(C)(C)NC(=O)COC(=O)c1cccnc1Sc1ccc2c(c1)OCCO2 19125054 OXEUCACXRRYIKA-UHFFFAOYSA-N 416.499 3.466 0 40 HGAB O=C(Nc1cccc(CCc2ccncc2)c1)[C@H]1CC(=O)N(Cc2ccncc2)C1 19330646 CSFINTCEXZOALZ-NRFANRHFSA-N 400.482 3.249 0 40 HGAB O=C(COc1ccccc1F)N1CCC(c2cc(C(F)(F)F)n3ncnc3n2)CC1 19350171 LXBOSCOWLVSQSD-UHFFFAOYSA-N 423.370 3.067 0 40 HGAB COc1ccc(C2(C(=O)N[C@H](c3cc(=O)[nH]c(-c4ccncc4)n3)C(C)C)CC2)cc1 19445711 RDQQFJPKXAQILN-NRFANRHFSA-N 418.497 3.386 0 40 HGAB CC[C@@H](Oc1ccccc1OC)C(=O)N1CCC(c2cc3ncccc3c(=O)[nH]2)CC1 19499366 SPTNRWDFXBSXPV-HXUWFJFHSA-N 421.497 3.495 0 40 HGAB CCn1c(C(C)C)nc2cc(NC(=O)CN3C(=O)NC4(CCCCC4)C3=O)ccc21 19524250 OPVUMZSRLXBZEW-UHFFFAOYSA-N 411.506 3.373 0 40 HGAB CCOc1ncccc1C(=O)N1CCC[C@H](c2nc(-c3cccs3)cc(=O)[nH]2)C1 19531415 HWFDLFBZHPLVCZ-AWEZNQCLSA-N 410.499 3.312 0 40 HGAB Cc1n[nH]c(C)c1CC(=O)N1CC[C@H](c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C)N3)C1 19578668 RNAKDNSLXQIRHZ-AKWBHNSASA-N 410.444 3.089 0 40 HGAB O=C([C@@H](c1ccccc1)N1CCN(Cc2ccc3c(c2)CCO3)CC1)N1CCCC1 22926620 TXLIGEFQEOTVOI-XMMPIXPASA-N 405.542 3.103 0 40 HGAB Cc1ccc(OCc2nc(CC(=O)OCc3nnnn3-c3ccccc3)cs2)cc1 23201295 RYYVHGUJFZZYNR-UHFFFAOYSA-N 421.482 3.292 0 40 HGAB Cc1cccc(NC(=O)C[C@H]2C(=O)N(C[C@H]3CCCO3)c3nc4ccccc4n32)c1 23382129 SNZBZXDODVTAOT-XLIONFOSSA-N 404.470 3.440 0 40 HGAB CCc1cc2c(=O)n(C[C@H](O)COc3ccc(Br)cc3)cnc2s1 24988761 MOCQWMLDKFYJGA-LBPRGKRZSA-N 409.305 3.223 0 40 HGAB CCCN(Cc1nnc(-c2ccco2)o1)C(=O)COc1ccc2c(c1)CCC(=O)N2 25277437 QKPPXOHVPYHNGK-UHFFFAOYSA-N 410.430 3.032 0 40 HGAB O=C(OC[C@@H]1CCCO1)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 25396967 RJPNCRRDQWHNJR-HNNXBMFYSA-N 401.912 3.241 0 40 HGAB CCOc1ccc([C@@H]2CCCN2C(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)cc1 27155250 MFYVRBHJFXDGJK-IWFBPKFRSA-N 417.575 3.475 0 40 HGAB COC(=O)c1ccc(F)c(NC(=O)[C@H](C)NC(=O)C23CC4CC(CC(C4)C2)C3)c1 32903232 REVOADWLRLQHSU-URNNUDQISA-N 402.466 3.272 0 40 HGAB COc1cc(CNC(=O)CNC(=O)c2ccccc2F)ccc1OCCC(C)C 32930831 NDICCLIOMIDRNK-UHFFFAOYSA-N 402.466 3.305 0 40 HGAB COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)/C=C\c1ccc(Br)o1 34771392 XNFPZXYXSVJULH-DZFYGRHCSA-N 417.259 3.437 0 40 HGAB COc1ccc(-c2nnsc2C(=O)N2CCc3cc(OC)c(OC)cc3C2)cc1 36353659 KABHTAAJUUUIHQ-UHFFFAOYSA-N 411.483 3.429 0 40 HGAB O=C(c1ccc(Cn2ccnc2)cc1)N1CCN(C(=O)[C@H]2C[C@H]2c2cccs2)CC1 38730727 LEGWOVZUUFLSEP-UXHICEINSA-N 420.538 3.081 0 40 HGAB O=C(Nc1ccc2oc(=O)[nH]c2c1)[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 40061130 HIGVOIWLXCMMNE-MRJKMQNQSA-N 409.486 3.267 0 40 HGAB Oc1ccccc1CCNc1nc(CN2CCOCC2)nc2sc3c(c12)CCC3 40149328 NRFZDXXKDAJLDZ-UHFFFAOYSA-N 410.543 3.372 0 40 HGAB CCN(CC)CCOc1ccc(CNC(=O)c2[nH]c(C)c(C(C)=O)c2C)cc1OC 40151669 BMCUYSHZCMSHNN-UHFFFAOYSA-N 415.534 3.493 0 40 HGAB O=S(=O)(Cc1ccc(Br)cc1)NCc1ccc(-n2ccnc2)cc1 44842891 VQWGGIVSLKNBEA-UHFFFAOYSA-N 406.305 3.254 0 40 HGAB Cc1ccc(-c2nn(C)c(=O)c3c2CCCC3)cc1S(=O)(=O)NCc1ccccc1 46027384 RJMNKWKPABIINR-UHFFFAOYSA-N 423.538 3.113 0 40 HGAB Cc1cc(NC(=O)C2CCN(C(=O)Cc3ccc(OC(F)(F)F)cc3)CC2)no1 48067263 HASIGTLQARCALS-UHFFFAOYSA-N 411.380 3.301 0 40 HGAB Cc1nc(N2CCC[C@H]2C(=O)N2CCN(C)CC2)c2cc(-c3ccccc3)sc2n1 48324056 QUBQSJIVWJHPBF-IBGZPJMESA-N 421.570 3.410 0 40 HGAB CC(C)c1ccc(N2CCN(CC(=O)N3CCn4c3nc3ccccc34)C2=O)cc1 49403430 PUDKKNLWQUDPSS-UHFFFAOYSA-N 403.486 3.449 0 40 HGAB COc1ccc(-c2noc(Cn3nc(-c4ccc(OC)c(OC)c4)ccc3=O)n2)cc1 49421757 IHGHHVATPLMUHW-UHFFFAOYSA-N 420.425 3.034 0 40 HGAB O=S(=O)(NC1CCN(Cc2ccc(F)cc2)CC1)c1ccc(F)c(F)c1F 55638950 PLQCKOHUVRIOPR-UHFFFAOYSA-N 402.413 3.186 0 40 HGAB CCOc1ccc(NC(=O)Cn2c(=O)n(CCC(C)C)c(=O)c3sccc32)cc1 57426607 WSWDZXQPKFNPHE-UHFFFAOYSA-N 415.515 3.308 0 40 HGAB CCOc1ccc(OCC)c(NC(=O)CN2CCN(c3ccccc3OC)CC2)c1 57711734 SBSPLQJOAVPDHG-UHFFFAOYSA-N 413.518 3.253 0 40 HGAB CCc1cc(OS(=O)(=O)c2ccc(NS(C)(=O)=O)cc2F)ccc1Cl 60380548 SMYGDNLNRBTXCV-UHFFFAOYSA-N 407.872 3.181 0 40 HGAB O=C(Nc1ccc(F)cc1)[C@@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1 64985338 LLQMANDPVVKLQP-FQEVSTJZSA-N 412.442 3.421 0 40 HGAB CCc1noc(-c2ccc(-n3cnc(C(=O)NCc4ccccc4Cl)c3)nc2)n1 71768349 IGWXHTYLLFDPAQ-UHFFFAOYSA-N 408.849 3.463 0 40 HGAB COc1ccc([C@H]2[C@H](C(=O)NCCc3ccncc3)c3ccccc3C(=O)N2C)cc1 79491396 SQHJPCUOZRXHPP-PKTZIBPZSA-N 415.493 3.360 0 40 HGAB CCCN(C)c1ccc(C(=O)N2CCC(OCCN3C[C@@H](C)O[C@H](C)C3)CC2)cc1 95459672 GXAGBJXVYCQLHZ-WOJBJXKFSA-N 417.594 3.263 0 40 HGAB COc1ccc2c(c1)O[C@@]1(C[C@@H]3CC[C@@H]1C[C@@H]3C(=O)NCCc1ccccc1)NC2=O 100181380 SCGUHDRBLOOLMO-FHHVHTCRSA-N 420.509 3.309 0 40 HGAB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NC1CCCC1)Cc1ccccc1 107793225 ILISKLJBOMTRBK-UHFFFAOYSA-N 416.543 3.253 0 40 HGAB COC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccc(Br)cc1 113873521 UKDMJIPHRKUEGK-UHFFFAOYSA-N 418.696 3.471 0 40 HGAB CCOC(=O)C1(c2ccc(NS(=O)(=O)c3cc(OC)ccc3OC)cc2)CC1 222977039 ZWGSBJOMNIAMFO-UHFFFAOYSA-N 405.472 3.099 0 40 HGAB CC[C@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(OC)cc1 223151448 GQVNFLMIHHOCBW-LJQANCHMSA-N 404.894 3.281 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=S)NCc1ccc(C)cc1 225209562 QQJBBAPZKWHAKO-UHFFFAOYSA-N 419.572 3.275 0 40 HGAB CCOc1ccc(O[C@@H](C)C(=O)N2[C@H]3CC[C@H]2c2cnc4cc(C)nn4c2C3)cc1 248338971 SFQJDZROOUZLBQ-FTRWYGJKSA-N 406.486 3.492 0 40 HGAB CCc1onc(C)c1-c1cccc([C@@H]2CN(C(=O)CCn3ccc(C)n3)CCO2)n1 257321013 VZRSRGHDSPGNGS-FQEVSTJZSA-N 409.490 3.103 0 40 HGAB Cc1nc([C@H]2CCCN(C(=O)C(C)(C)C)C2)nc(C)c1CC(=O)NC1CCCC1 257324855 WQMKBENKLBDVKZ-KRWDZBQOSA-N 400.567 3.447 0 40 HGAB Cc1nc2ccc(NC(=O)C[C@H]3CCCN(C(=O)c4ccc(=O)n(C)c4)C3)cc2s1 257342248 ZNTMXRBERVJSRE-OAHLLOKOSA-N 424.526 3.184 0 40 HGAB O=C(c1ccc(F)cc1Cl)N1CC[C@@H](Oc2ncc(Br)cn2)C1 585147188 WJADEDAOIRAXGG-LLVKDONJSA-N 400.635 3.325 0 40 HGAB CC(=O)N1CCCCCCCCN(CC(=O)N2CCC(O)CC2)Cc2ccccc21 643575910 RWFHDYBLPXXDMW-UHFFFAOYSA-N 415.578 3.179 0 40 HGAB CC1CCN(C2CCC(NC(=O)N3CC[C@@]4(C3)C(=O)Nc3ccccc34)CC2)CC1 681798173 IGBKVPPODIRNBK-MORLXBONSA-N 410.562 3.335 0 40 HGAB O=S(=O)(NC[C@@]1(O)CCCc2sccc21)c1ccccc1Br 1889176704 ZXTUSTHNPNVRPQ-HNNXBMFYSA-N 402.335 3.013 0 40 HGAB CC(=O)c1cccc(NC(=O)[C@@H](C)OC(=O)[C@@H]2CCCN2C(=O)c2cccs2)c1 2652368 ZUJSENOEPNWTCH-PBHICJAKSA-N 414.483 3.126 0 40 HGAB C[C@@]1(CCc2ccccc2)NC(=O)N(CC(=O)Nc2ccnn2C2CCCCC2)C1=O 32722115 QZVZOWGKQNWVPO-QHCPKHFHSA-N 423.517 3.270 0 40 HGAB O=C(COc1cccc(-n2cnnn2)c1)Nc1ccc(OCc2ccccc2)cc1 3606423 IEUAISRQQREHKS-UHFFFAOYSA-N 401.426 3.259 0 40 HGAB O=C(Nc1cccc2ccccc12)O[C@@H]1CO[C@@H]2[C@@H](NC(=O)c3cccs3)CO[C@H]12 4235394 WBYCDEYSFNSKLD-ONCXSQPRSA-N 424.478 3.415 0 40 HGAB biogenic,in-vitro C[C@H]1CCCN(C(=O)CSc2nc3ccccc3n2CC(=O)N2CCCC2)C1 4859134 DPZHHSPSISPXBU-INIZCTEOSA-N 400.548 3.009 0 40 HGAB Cc1ccc(N(CC(=O)NC(C)(C)C)C(=O)CNC(=O)c2cccs2)c(C)c1 4861384 YYHSNNOYDBLBEJ-UHFFFAOYSA-N 401.532 3.043 0 40 HGAB COc1ccc(NC(=O)Cn2c(=O)n(C3CCCCC3)c(=O)c3ccccc32)cc1 4905751 SLIZGBYAAVKSPH-UHFFFAOYSA-N 407.470 3.316 0 40 HGAB CSc1ccc(N2C[C@@H](C(=O)N(C)C[C@H]3COc4ccccc4O3)CC2=O)cc1 32909321 NHSLESHKLZXXOR-RDJZCZTQSA-N 412.511 3.060 0 40 HGAB CCCOc1ccc(Br)cc1/C=C1/SC(=O)N(CC(=O)OC)C1=O 6941493 GCCGIZAYCAOWED-MDWZMJQESA-N 414.277 3.447 0 40 HGAB COc1cc(CNCc2ccncc2)ccc1OCc1nnnn1-c1ccc(C)cc1 7365368 SXUCWLCPJDAHRG-UHFFFAOYSA-N 416.485 3.243 0 40 HGAB CS(=O)(=O)N(CCCC(=O)NCc1ccncc1)c1cc(Cl)ccc1Cl 7504707 METFQYRSTBNCDA-UHFFFAOYSA-N 416.330 3.251 0 40 HGAB COc1cccc(NC(=O)c2cc(-c3cccs3)n([C@@H]3CCS(=O)(=O)C3)n2)c1 33325455 FCWPOSRDQCAGHJ-CQSZACIVSA-N 417.512 3.232 0 40 HGAB CC(C)Cn1c(S[C@@H](C)C(=O)NC[C@H]2CCCO2)nc2ccc(Cl)cc2c1=O 9091493 ZJAAYBWPQSMVTC-DZGCQCFKSA-N 423.966 3.482 0 40 HGAB COc1ccc(C)cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccccc2C)C1 9974729 SFEWRURSYYRNJW-KRWDZBQOSA-N 402.516 3.351 0 40 HGAB CNC(=O)c1ccc(CN(CC(=O)N(C)Cc2ccsc2)Cc2ccco2)cc1 23146214 SJPDVABAYUFERS-UHFFFAOYSA-N 411.527 3.362 0 40 HGAB CCOc1cc([C@@H]2NC(=O)c3ccccc3N2)cc(Cl)c1OCC(=O)N(C)C 12537350 ZBYRKJFAUFGLSP-IBGZPJMESA-N 403.866 3.060 0 40 HGAB CCOC(=O)c1ccc(N2C(=O)C[C@H](NCCc3c[nH]c4ccc(C)cc34)C2=O)cc1 25182369 NKDLBWHEJZNRDE-NRFANRHFSA-N 419.481 3.117 0 40 HGAB Cc1nn(CC(=O)Nc2nc3ccccc3s2)c(C)c1I 1431337 FULSRWKATQZVJT-UHFFFAOYSA-N 412.256 3.353 0 40 HGAB Cc1ccc(N(CC(=O)N2CCC(Cc3ccccc3)CC2)S(C)(=O)=O)cc1 1461708 DUIUDUJFIPKSCL-UHFFFAOYSA-N 400.544 3.242 0 40 HGAB COc1ccc(CCN(C)C(=S)NC(=O)[C@]2(C)CC2(Cl)Cl)cc1OC 3257362 SSWHWQDEIRQPNW-INIZCTEOSA-N 405.347 3.163 0 40 HGAB COc1ccc(NC(=O)Cn2c(Nc3cccc(F)c3)nc(C)cc2=O)cc1F 57506373 SBDORTOHLZAVDA-UHFFFAOYSA-N 400.385 3.221 0 40 HGAB COc1ccc([C@H](O)C[C@@H]2c3c(cc4c(c3OC)OCO4)CCN2C)cc1OC 12660092 RZTRQDYTALSTEQ-HZPDHXFCSA-N 401.459 3.094 0 40 HGAB biogenic CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC2(N(C)C)CCCCCC2)cc1 23078205 YWTXQIOSQBVCBC-UHFFFAOYSA-N 409.596 3.102 0 40 HGAB COC(=O)c1cc(NC(=O)c2ccc(Cn3nc(C)cc3C)cc2)cc(C(=O)OC)c1 61110026 JEKQJDDEKZKSQH-UHFFFAOYSA-N 421.453 3.374 0 40 HGAB Cc1cc(Br)c(O)c(C(=O)N2CCC(C(=O)N[C@@H](C)C(C)C)CC2)c1 58421624 RPIIZDISRWZXGD-ZDUSSCGKSA-N 411.340 3.476 0 40 HGAB Cc1nnc2sc(-c3ccc(CNC(=S)NC(=O)c4cccs4)cc3)nn12 2232331 OELSRDMCTMLHIU-UHFFFAOYSA-N 414.541 3.027 0 40 HGAB Cc1ccc(NC(=O)CSc2nnc(-c3cnccn3)n2C)c(Br)c1 2233490 ZETNXEJBXPNGMZ-UHFFFAOYSA-N 419.308 3.074 0 40 HGAB COc1ccc(NC(=O)CC[C@H]2N=C(O)N([C@H](C)c3ccccc3)C2=O)cc1OC 36593602 QREZVFSLWIBXDU-RHSMWYFYSA-N 411.458 3.309 0 40 HGAB COCCn1c(SCC(=O)N(C)c2ccccc2C(=O)OC)nc2ccccc21 11490448 MERJPRNHMVXLBM-UHFFFAOYSA-N 413.499 3.224 0 40 HGAB COc1ccc(C)cc1NC(=O)CN1C(=O)N[C@](C)(c2ccccc2Cl)C1=O 3593646 YFNPBNVGSNOQBF-HXUWFJFHSA-N 401.850 3.063 0 40 HGAB C[C@H](OC(=O)[C@@H]1CCCN1C(=O)c1cccs1)C(=O)Nc1ccc2c(c1)CCC2 12988102 JURCVWHLOYFFQC-KSSFIOAISA-N 412.511 3.412 0 40 HGAB O[C@@H]1CCCN(c2nc(CN3CCOCC3)nc3scc(-c4cccs4)c23)C1 22240899 JWXTXHYXIMRQSS-CQSZACIVSA-N 416.572 3.213 0 40 HGAB CCN1c2ccc(S(=O)(=O)N3CCOCC3)cc2N(Cc2ccc(C)s2)[C@H]1C 13041500 BBNXRSNLJIXRMW-INIZCTEOSA-N 421.588 3.270 0 40 HGAB O=C(CSc1nnnn1-c1cccc(F)c1)N1CCS[C@H]1c1ccccc1F 13163924 RRNGFZQINFOWBS-KRWDZBQOSA-N 419.482 3.307 0 40 HGAB Cc1nc2ncnn2c(O)c1CCC(=O)Nc1ccc(Br)cc1Cl 13691419 QZPWNZRTRICJJB-UHFFFAOYSA-N 410.659 3.126 0 40 HGAB CCn1c(SCCCOc2ccc(F)cc2)nc2cc(S(N)(=O)=O)ccc21 5071545 XTJPCQMTQRTENS-UHFFFAOYSA-N 409.508 3.404 0 40 HGAB COc1ccc(CNC(=O)CSc2nccn2-c2cccc(F)c2)cc1OC 5263501 LUBSRACVOVLJIL-UHFFFAOYSA-N 401.463 3.437 0 40 HGAB O[C@@H](COc1ccccc1Br)CN1CCN(c2ccc(F)cc2)CC1 26781837 USRLLRKRRHQAIT-QGZVFWFLSA-N 409.299 3.150 0 40 HGAB C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)NCc3ccc(Cl)cc3)c2)C[C@@H](C)O1 14017583 DHLZKRNKFFBUPO-GASCZTMLSA-N 422.934 3.068 0 40 HGAB CN(Cc1cccc(Cl)c1Cl)CN1C(=O)C(=O)N(Cc2ccccc2)C1=O 14229312 WNJCXJSODKGMRJ-UHFFFAOYSA-N 406.269 3.374 0 40 HGAB Cn1c(=O)c2c(nc(Oc3ccc(F)cc3)n2Cc2ccccc2Cl)n(C)c1=O 4734460 VEQCFJGINCYYLT-UHFFFAOYSA-N 414.824 3.067 0 40 HGAB Cc1ccc(-c2nc(C)c(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)s2)cc1 6764624 XIKTZOACEZFJMC-UHFFFAOYSA-N 415.540 3.047 0 40 HGAB C[C@@H](NC(=O)COC(=O)CNC(=O)c1ccccc1)c1ccc(Cl)cc1Cl 5716912 OWDOWGYLPPFZNP-GFCCVEGCSA-N 409.269 3.144 0 40 HGAB O=C(CNC(=O)c1ccc2c(c1)OCO2)Nc1ccc(OCc2ccccc2)cc1 15269997 VZGFTGYBYXVBFE-UHFFFAOYSA-N 404.422 3.363 0 40 HGAB CC[C@H](C)n1c(SCC(=O)Nc2ccc3c(c2)OCO3)nc2cc(C)[nH]c2c1=O 67239069 UIUHFHNKSVCVHC-LBPRGKRZSA-N 414.487 3.464 0 40 HGAB Cn1c(SCC(=O)Nc2ccc(CN3CCCC3)cc2)nnc1-c1ccncc1 7329624 HCGJYVMDUSBVMJ-UHFFFAOYSA-N 408.531 3.204 0 40 HGAB O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)NCc1ccc(Cl)cc1 7608621 FWNFXCFUYLCMTM-UHFFFAOYSA-N 406.935 3.374 0 40 HGAB CNC(=O)c1ccc(NC(=O)[C@@H](NC(=O)C23CC4CC(CC(C4)C2)C3)C(C)C)cc1 8028466 UZUQEEKTKZZABF-ZDCBYCKXSA-N 411.546 3.342 0 40 HGAB O=C(Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2Cc2cccnc2)cc1)C1CCCCC1 67896769 LRRWMNFCBHWDKG-FYYLOGMGSA-N 423.513 3.061 0 40 HGAB biogenic,in-vitro COc1cccc(C(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)cc2)c1 17988306 UESKWPRWPATWHQ-WOJBJXKFSA-N 419.433 3.191 0 40 HGAB CNC(=O)Cc1nc(CNc2cc(Cl)ccc2C(=O)N2CCCCC2)cs1 79068369 HPAZDGTUQCQIAT-UHFFFAOYSA-N 406.939 3.323 0 40 HGAB CCOC(=O)C(C)(C)n1cc(NC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)cn1 95423095 FPNLXRHTAMVMIL-KRWDZBQOSA-N 416.497 3.171 0 40 HGAB Cc1ccc([C@@H](CCn2cncn2)NCc2ccccc2CN2CCC(O)CC2)cc1 95940799 OQVCTCBLTZPUMO-RUZDIDTESA-N 419.573 3.464 0 40 HGAB CN1CC=C2C(C(=O)O)=C(N)C(C#N)(C#N)[C@@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C1 20477645 KSWMMBWEAQNGHS-IRLDBZIGSA-N 410.477 3.270 0 40 HGAB COC(=O)[C@@H](CNC(=O)[C@@H](C)c1cccc(Br)c1)Oc1ccccc1 1558146062 CROSBRSZPKRXQY-SUMWQHHRSA-N 406.276 3.289 0 40 HGAB CCCn1c(S[C@H](C)c2nc(C(C)C)no2)nc2cc(S(N)(=O)=O)ccc21 31739453 YTZXTCUQFXHGQU-LLVKDONJSA-N 409.537 3.453 0 40 HGAB Cc1cc(C)nc(N[C@@H](C)C(=O)N2CCN(c3ccccc3C(F)(F)F)CC2)n1 72399261 ALMAPOVXWJPNKX-HNNXBMFYSA-N 407.440 3.261 0 40 HGAB COc1ccccc1Cc1nnc(NC(=O)[C@@H](c2ccccc2)N2CCOCC2)s1 36752277 RLQKDPJEAOQCNH-HXUWFJFHSA-N 424.526 3.150 0 40 HGAB O=C(CCNS(=O)(=O)c1cccnc1)N[C@@H](c1ccccc1)C1CCCCC1 32380202 JZMVMAPUEPIVKC-NRFANRHFSA-N 401.532 3.188 0 40 HGAB CC(C)S(=O)(=O)c1ccc(C(=O)N2CCN(Cc3cccc(Cl)c3)CC2)cc1 40130610 PQPGUTPYVHZSOM-UHFFFAOYSA-N 420.962 3.480 0 40 HGAB CC[C@H](NS(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1)c1ccc(OC)c(C)c1 225093763 GOMNWNTZGGGPMM-SFHVURJKSA-N 416.499 3.087 0 40 HGAB CCOc1ccc(N([C@H](CC)C(=O)NCc2ccccc2C)S(C)(=O)=O)cc1 220667374 HUBFUOMQVSUTLZ-HXUWFJFHSA-N 404.532 3.255 0 40 HGAB CC(C)n1c(=O)sc2cc(S(=O)(=O)NCCCN(C)c3ccccc3)ccc21 225717837 QGQZYBWWXAIDNR-UHFFFAOYSA-N 419.572 3.449 0 40 HGAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)N[C@@H](C)c1ccc(C)c(C)c1)O2 44856419 PWRWFHMAMAYXKC-OXJNMPFZSA-N 402.516 3.016 0 40 HGAB COc1ccccc1[C@H](C)NC(=O)CN(c1ccc(C)c(Cl)c1)S(C)(=O)=O 225878570 LZBBYXWWPQVIBV-AWEZNQCLSA-N 410.923 3.300 0 40 HGAB O=S(=O)(N[C@H](c1cccnc1)C1CCOCC1)c1ccccc1Br 225624525 YVUZFPIMPKVQPE-KRWDZBQOSA-N 411.321 3.290 0 40 HGAB CC[C@@H](NC(=O)[C@@H](C)N(c1ccc(OC)cc1)S(C)(=O)=O)c1ccc(C)cc1 44848372 HGZVEXJTTADSLK-OXQOHEQNSA-N 404.532 3.426 0 40 HGAB O=C(Cc1cccc2cccnc12)NCCCN1CCN(Cc2ccccc2)CC1 40087048 GVPPRIGROHLRCI-UHFFFAOYSA-N 402.542 3.101 0 40 HGAB CCc1ccc(N([C@H](C)C(=O)N[C@@H](C)COc2ccc(C)cc2)S(C)(=O)=O)cc1 220290326 PGTFLQOGABVPRQ-ZWKOTPCHSA-N 418.559 3.296 0 40 HGAB Cc1cc2nc(COc3ccc(NC(=O)COc4ccc(F)cc4)cc3)cc(=O)n2o1 41085691 YUAMORRCOKLABR-UHFFFAOYSA-N 423.400 3.332 0 40 HGAB C[C@@H](C(=O)Nc1ccc(N2CCCC2)cc1)N(c1cccc(F)c1)S(C)(=O)=O 224930714 QHFNLCQILICLQF-HNNXBMFYSA-N 405.495 3.219 0 40 HGAB O=C(O)c1cccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCCO)o2)c1 223631494 XJGOBEMPWVNIIS-UXHICEINSA-N 423.494 3.395 0 40 HGAB Cn1cnc(S(=O)(=O)N2CCCC[C@@H]2c2ncc(Cc3cccc(F)c3)o2)c1 257248602 JEJWJHRKBGEPEL-QGZVFWFLSA-N 404.467 3.054 0 40 HGAB Cc1ccc(S(=O)(=O)N2CC3(C[C@@H](OCc4csc(C)n4)CS3)C2)cc1 575404831 VNPBXWOZCYHGJW-MRXNPFEDSA-N 410.586 3.225 0 40 HGAB O=C(C[C@H]1CN(C(=O)C23CC4CC(CC(C4)C2)C3)Cc2ccnn21)NCc1ccco1 585096062 YURPFSXWXOICBW-BSFBHTCNSA-N 422.529 3.282 0 40 HGAB Cc1cc(CN2C(=O)CC3(CCN(C(=O)Nc4ccccc4)CC3)n3nccc32)no1 1772596502 NHFXIBXYGJULRV-UHFFFAOYSA-N 420.473 3.140 0 40 HGAB CCOc1ccccc1C(=O)NCCOc1ccc2nnc(-c3ccc(F)cc3)n2n1 11693856 WOSSBMRPHIFWEM-UHFFFAOYSA-N 421.432 3.138 0 40 HGAB Cc1nonc1CC(=O)N1CCC[C@H]1c1cc2nc(C(C)C)cc(C(F)(F)F)n2n1 12230378 PEFPTNUTBOKVKR-HNNXBMFYSA-N 422.411 3.469 0 40 HGAB C[C@H](Sc1nnc(-c2cccs2)n1CCC(N)=O)C(=O)Nc1ccccc1F 12804116 MBDVPLHVVMOBRN-NSHDSACASA-N 419.507 3.140 0 40 HGAB CCCCCOc1ccc(S(=O)(=O)N2CCC(C(N)=O)CC2)c2ccccc12 12998457 VQBNOGBKHDSFQM-UHFFFAOYSA-N 404.532 3.295 0 40 HGAB COc1ccc(C(=O)Nc2ccc(F)cc2F)cc1S(=O)(=O)N1CCCCC1 14291817 SPAJTKWTORCTAN-UHFFFAOYSA-N 410.442 3.400 0 40 HGAB O=C(NCCc1ccc(F)cc1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 15789484 VRFBRGVTOAHHLD-UHFFFAOYSA-N 424.925 3.239 0 40 HGAB COc1cccc(Nc2noc3c2CN(C(=O)c2ccc(C(C)C)[nH]c2=O)CC3)c1 19453101 JKPJBECHAQCBOS-UHFFFAOYSA-N 408.458 3.437 0 40 HGAB Cc1c(CN2CCC[C@@](C[C@@H]3CC(c4ccc(F)cc4)=NO3)(C(=O)O)C2)cnn1C 19553593 ZFBVVSZQJNIHHX-UGKGYDQZSA-N 414.481 3.118 0 40 HGAB CC(C)c1csc(NC(=O)Cn2cccc(C(=O)Nc3ccc(F)cc3)c2=O)n1 19749997 UIBCWMRESYSAHQ-UHFFFAOYSA-N 414.462 3.458 0 40 HGAB COc1cccc(C(=O)N2CC[C@@H](C(=O)NCc3ccccc3N3CCCC3)C2)c1 19750280 YBKXCJFZFLTIPE-HXUWFJFHSA-N 407.514 3.074 0 40 HGAB CCc1ccc(NC(=O)CN2C(=O)S/C(=C3/C(=O)Nc4ccccc43)C2=O)cc1 3639913 CVPAAQNOVHLODY-ISLYRVAYSA-N 407.451 3.246 0 40 HGAB CC(C)(C)NC(=O)Cn1c(SCC(=O)N2CCCCCC2)nc2ccccc21 4092800 UYLGPURYACAJMF-UHFFFAOYSA-N 402.564 3.446 0 40 HGAB Cc1occc1-c1cc2nc3c(c(O)n2n1)CN(Cc1cnc(C(C)C)nc1)CC3 12667256 HCQNIVLGCKGQDF-UHFFFAOYSA-N 404.474 3.475 0 40 HGAB Cc1cc(CN2CCC(N3CCN(c4ccc(C(F)(F)F)cn4)CC3)CC2)on1 245180737 ZIRRPJOMGOQULW-UHFFFAOYSA-N 409.456 3.183 0 40 HGAB CC(=O)N[C@@H](CC(=O)OCC(=O)N1CCc2ccccc21)c1ccc(Cl)cc1 25540867 FCYORPSYDQPNQI-SFHVURJKSA-N 400.862 3.040 0 40 HGAB CCCn1ccnc1CN1CCC[C@@]2(CC1)CN(c1cccc(F)c1)C(=O)CO2 2037839729 BRRPFEIARKKCKA-JOCHJYFZSA-N 400.498 3.220 0 40 HGAB C[C@@H](NC(=O)C(=O)NC[C@H](c1ccco1)N1CCc2ccccc21)c1ccccc1 4305394 ZCNNGPTVQXQDSA-DYESRHJHSA-N 403.482 3.377 0 40 HGAB CCOc1ccc(-c2cccc(NS(=O)(=O)c3cc(F)ccc3OC)c2)nn1 5204278 BGWCUGNYQRPCAK-UHFFFAOYSA-N 403.435 3.491 0 40 HGAB CC(C)Oc1ccc(C(=O)Nc2nnc(-c3ccccc3S(C)(=O)=O)o2)cc1 5240472 RZYSAOFNMZDADH-UHFFFAOYSA-N 401.444 3.180 0 40 HGAB CCOC(=O)[C@H]1CCCN([C@@H](c2ccco2)c2sc3nc(CC)nn3c2O)C1 22853447 IRBPUJOHULTFDG-WFASDCNBSA-N 404.492 3.016 0 40 HGAB CCOc1ccc(-c2n[nH]cc2CNC(=O)[C@H]2CC(=O)N(Cc3cccs3)C2)cc1 1775968815 MCHXSURQVFSGAY-INIZCTEOSA-N 424.526 3.202 0 40 HGAB O=c1ccc(-c2ccncc2)nn1CC1CCN(c2ncnc3ccc(F)cc23)CC1 585503449 RWEQOALPQUNHLS-UHFFFAOYSA-N 416.460 3.304 0 40 HGAB Cc1cc(NC(=O)Cc2ccc(OCc3c(C)noc3C)cc2)ccc1-n1cnnn1 40060434 ZMDCXFJMXQTDOR-UHFFFAOYSA-N 418.457 3.336 0 40 HGAB CCOC(=O)c1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@@H]2c2ccc(O)cc2)cc1 944379 OZYXPOBFHQLZJT-LJQANCHMSA-N 419.441 3.088 0 40 HGAB CC1=C(C(=O)Nc2cccnc2)[C@H](c2cccc(Cl)c2Cl)n2nnnc2N1 956299 DAFLZMDDJHFFMG-HNNXBMFYSA-N 402.245 3.303 0 40 HGAB Cn1c(=O)c2c(nc(Sc3ccccc3)n2Cc2ccccc2Cl)n(C)c1=O 1268567 FYUNNJJYJSHWDH-UHFFFAOYSA-N 412.902 3.287 0 40 HGAB CCOc1cc(C(=O)NC(=S)Nc2nc(C)cc(C)n2)cc(OCC)c1OCC 2234889 WYFXYENCCUQGED-UHFFFAOYSA-N 418.519 3.416 0 40 HGAB O=C1S/C(=C\c2ccccc2)C(=O)N1CCNS(=O)(=O)c1ccc(Cl)cc1 2364472 CTURNTGMQHVQSY-VBKFSLOCSA-N 422.915 3.355 0 40 HGAB CCOC(=O)c1ccccc1C(=O)c1ccc(CN2CCC3(CC2)OCCO3)cc1 2514723 SHCXJWVGGXXFRN-UHFFFAOYSA-N 409.482 3.433 0 40 HGAB CC(=O)Nc1ccc(NC(=O)COC(=O)c2c3c(nc4ccccc24)CCC3)cc1 3482369 PFGOEWNIMUCZSS-UHFFFAOYSA-N 403.438 3.477 0 40 HGAB CC(=O)Oc1ccc([C@@H]2C(C(=O)OCC(C)C)=C(C)N=C3S[C@@H](C)C(=O)N32)cc1 3636586 JSTXEHLUSNBSNQ-SCLBCKFNSA-N 416.499 3.460 0 40 HGAB CCOc1ccccc1NC(=O)CSc1ccc2nnc(-c3cccnc3)n2n1 4327704 RPZQPMVTCMSACG-UHFFFAOYSA-N 406.471 3.316 0 40 HGAB COc1ccc(S(=O)(=O)NCCc2sc(-c3cccnc3)nc2C)cc1OC 4346961 SZMRNIZBWCMISK-UHFFFAOYSA-N 419.528 3.052 0 40 HGAB COc1cccc(C(=O)COc2ccccc2N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2=O)c1 4545031 WHSYYPCLFDCIJH-NLZGTENKSA-N 405.450 3.492 0 40 HGAB COC(=O)[C@@H](CC(C)C)NC(=O)COCC(=O)N(c1ccccc1)c1ccccc1 4702602 YXRDOFGCRKBIDZ-HXUWFJFHSA-N 412.486 3.072 0 40 HGAB CCOC(=O)C(=O)Nc1sc(C(=O)Nc2ccc(C)cc2C)c(C)c1C(=O)OC 5007057 ZFCQHIOJENQMTN-UHFFFAOYSA-N 418.471 3.214 0 40 HGAB COc1ccc(/C=c2\sc3nc(/C=C/c4ccc(F)cc4)nn3c2=O)c(OC)c1 5192716 WXUGOGZVJIDZSA-HNBDTFNUSA-N 409.442 3.025 0 40 HGAB CC[C@@H](C(=O)Nc1cc(Cl)c(OC)cc1OC)n1nnc2ccccc2c1=O 5244555 JBOGHQGXDPCTLM-HNNXBMFYSA-N 402.838 3.052 0 40 HGAB CC(C)COc1ccc(C(=O)N[C@@H](CC(=O)N2CCOCC2)c2ccccc2)cc1 5274138 COPYNMZOYKCUHD-QFIPXVFZSA-N 410.514 3.441 0 40 HGAB NS(=O)(=O)c1cccc(NC(=O)CSc2nc(-c3ccccc3)cs2)c1 5971740 ISWLLFCEQLLYFJ-UHFFFAOYSA-N 405.526 3.188 0 40 HGAB Cc1cc(C(=O)COC(=O)CCNC(=O)c2ccco2)c(C)n1Cc1ccccc1 6180495 QIRKPANJWXUBKV-UHFFFAOYSA-N 408.454 3.292 0 40 HGAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 6260030 JHWAEQSWDVMBSW-JTQLQIEISA-N 403.287 3.308 0 40 HGAB CC(C)OCCCNC(=O)CCc1ccc(S(=O)(=O)NC2CCCCC2)cc1 6344059 IMKPANCASBLTHI-UHFFFAOYSA-N 410.580 3.162 0 40 HGAB COc1cc(SC)ccc1C(=O)OCC(=O)Nc1ccccc1C(=O)NC1CC1 6617472 DGVGCVQXDFZNBY-UHFFFAOYSA-N 414.483 3.105 0 40 HGAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccc(C(C)C)cc2)cc1OC 6633785 NZIDRHHZKZDYMA-AWEZNQCLSA-N 406.504 3.133 0 40 HGAB CCOc1ccc(N2C(=O)C[C@@H](NCCc3c[nH]c4ccc(OC)cc34)C2=O)cc1 6662801 AKURUVQMKBSIBU-OAQYLSRUSA-N 407.470 3.039 0 40 HGAB CCOc1cc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)ccc1OCC(N)=O 6960718 IMFNXKLRHNJPRV-UHFFFAOYSA-N 411.454 3.077 0 40 HGAB CCc1cccc(NC(=O)Cn2ccn3nc(-c4ccc(OC)cc4)cc3c2=O)c1 7616010 AVDLULAPILETLQ-UHFFFAOYSA-N 402.454 3.373 0 40 HGAB CCOc1cc2c(cc1CNC(=O)c1cc(S(C)(=O)=O)ccc1C)O[C@H](C)C2 8272230 VJSZTTBQCLPRIL-CQSZACIVSA-N 403.500 3.051 0 40 HGAB CC[C@]1(c2ccc(OC)cc2)NC(=O)N([C@@H](C)C(=O)Nc2ccc(C(C)=O)cc2)C1=O 8315481 HCADPMVUPBKYMP-LFVRLGFBSA-N 423.469 3.082 0 40 HGAB CCOC(=O)C1=C(C)N=c2s/c(=C\C=C\c3ccco3)c(=O)n2[C@@H]1c1ccccc1 8443673 LXDSXHRYVSDJGD-KNBWGMPVSA-N 420.490 3.056 0 40 HGAB O=C(C[C@H]1OCCN(Cc2ccccc2)C1=O)Nc1cccc(OC(F)(F)F)c1 8570031 KNNQAIMEHILCCM-QGZVFWFLSA-N 408.376 3.341 0 40 HGAB O=C(NC1CC1)c1cccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3Cl)C2)c1 8777402 HNAHNNFNDUNJRU-MRXNPFEDSA-N 411.889 3.219 0 40 HGAB O=C(Nc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1F)c1ccccc1Cl 8810354 WXNCKKHGWQZVBE-GFCCVEGCSA-N 412.870 3.189 0 40 HGAB CCOc1ccc(N2C[C@H](CNS(=O)(=O)c3ccccc3Cl)CC2=O)cc1 9036129 QPIDGVCXLFFLMT-AWEZNQCLSA-N 408.907 3.070 0 40 HGAB Cc1cc(C)c(NC(=O)CNC(=O)CSc2nnc(NCC(C)C)s2)c(C)c1 9336790 SZRCYCVBJAQSAZ-UHFFFAOYSA-N 421.592 3.378 0 40 HGAB CC(C)(C)C1=NN(CC(=O)NCCc2ccco2)C(=O)c2cc3ccccc3n2C1 12117959 IBBPBWNEKQDULI-UHFFFAOYSA-N 406.486 3.451 0 40 HGAB COc1ccc([C@@H]2CN(C(=O)Cc3ccccn3)C[C@H]2c2ccnc(C)n2)cc1OC 12235214 YNASEZYCUXAWRP-VQTJNVASSA-N 418.497 3.150 0 40 HGAB NC(=O)c1cc2ccccc2nc1C1CCN(C(=O)CCC(=O)c2cccnc2)CC1 12254880 XOCCFDZIMPPYAC-UHFFFAOYSA-N 416.481 3.098 0 40 HGAB CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)NC[C@@H](c1ccccc1Cl)N(C)C 12774035 NSTCKFKJQWQKPD-UNMCSNQZSA-N 415.965 3.442 0 40 HGAB COC(=O)CNC(=O)c1ccc(NC(=O)c2sc(-c3ccccc3)nc2C)cc1 12790277 WLORRIMFMDJUCE-UHFFFAOYSA-N 409.467 3.274 0 40 HGAB COc1ccccc1C(=O)COC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O 12985724 JBFFPWIDQAIQAS-UHFFFAOYSA-N 419.389 3.124 0 40 HGAB CCS(=O)(=O)N1C[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)Oc2ccccc21 13682407 ABXUFZXSDQWUBN-INIZCTEOSA-N 414.405 3.261 0 40 HGAB C[C@@H]1C(=O)N(c2ccc(Br)cc2)C(=O)[C@@H]2C(=O)Oc3ccccc3[C@@H]12 15305731 MWCBFVAZHWOBHI-AMKSKSKJSA-N 400.228 3.277 0 40 HGAB Cc1cccc(N([C@@H](C)C(=O)NCC(F)(F)F)S(=O)(=O)c2ccccc2)c1 16698942 LLDJTIILQWFCDP-AWEZNQCLSA-N 400.422 3.257 0 40 HGAB O=C([C@@H]1CCCO1)N1CCc2nc(-c3ccncc3)nc(Nc3cccc(F)c3)c2C1 19293995 AKHYQRJZBWWBBI-FQEVSTJZSA-N 419.460 3.485 0 40 HGAB NC(=O)C1CCN(c2ncc(-c3ccc4c(c3)OCO4)c(-c3cccs3)n2)CC1 19343930 YBNRVLWFEWLKMG-UHFFFAOYSA-N 408.483 3.303 0 40 HGAB CCc1nc2cc(NC(=O)CN3C(=O)N[C@]4(CCCC[C@H]4C)C3=O)ccc2n1CC 19523210 UFBUIQHBZUKTMV-PEBXRYMYSA-N 411.506 3.058 0 40 HGAB Cc1ncsc1C(=O)N1CCC[C@@H](C(=O)c2cnn(-c3ccc(F)cc3)c2N)C1 19562083 WHIKBHZPOOAURE-CYBMUJFWSA-N 413.478 3.094 0 40 HGAB COc1cccc(-c2noc([C@@H]3CN(C(=O)c4ccc5[nH]c(C)nc5c4)CCO3)n2)c1 19576707 ARSWGCOWDQVTHH-IBGZPJMESA-N 419.441 3.144 0 40 HGAB CC(C)(C)N1C[C@H](C(=O)Nc2nnc(CCOc3ccc(Cl)cc3)s2)CC1=O 19659732 KYLRVJDKURGNKT-GFCCVEGCSA-N 422.938 3.399 0 40 HGAB Cn1c(=O)cc(C(=O)N2CCN(c3nc4ccccc4s3)CC2)c2ccccc21 19666174 SMVSPGFDUVNLDG-UHFFFAOYSA-N 404.495 3.111 0 40 HGAB Cc1cccc(CN2CCC[C@H](N3C(=O)C4(CCN(CC(C)C)CC4)N=C3O)C2)c1 19699765 PKJQJJHHZLHHQJ-NRFANRHFSA-N 412.578 3.206 0 40 HGAB CNc1cc(CN(C)C(=O)CCCc2ccc(F)c(C)c2)nc([C@H]2CCCNC2)n1 19709592 UKCKXBQQHCWUSP-SFHVURJKSA-N 413.541 3.414 0 40 HGAB COc1ccc(CNC(=O)CN2c3ccccc3-c3ccccc3S2(=O)=O)cc1 20063014 MPSZOVNEHTUUMK-UHFFFAOYSA-N 408.479 3.187 0 40 HGAB CC(C)C[C@H](NC(=O)CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O)c1ccccc1 22026220 LEQXTZZGHHKNRI-YADARESESA-N 421.497 3.120 0 40 HGAB CCCNC(=O)COc1ccc(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1 22231988 BIZCJURZVLTGKW-UHFFFAOYSA-N 410.923 3.211 0 40 HGAB COC(=O)c1cc(NC(=O)c2cc(NS(C)(=O)=O)ccc2Cl)ccc1Cl 22511915 IUYZMDXROBBFGV-UHFFFAOYSA-N 417.270 3.404 0 40 HGAB CCC(CC)[C@H](CNC(=O)c1ccc(OC)c(Br)c1)N1CCOCC1 22898837 PMINKLDUGQOPRC-KRWDZBQOSA-N 413.356 3.325 0 40 HGAB CCCn1c(S[C@@H](C)C(=O)N2CCN(CC)CC2)nc2cc(Cl)ccc2c1=O 22987652 PHXNAPOPYQWLSN-AWEZNQCLSA-N 422.982 3.105 0 40 HGAB Cc1ccc(-c2nn(-c3ccccc3Cl)cc2C(=O)N2CCN(CCO)CC2)cc1 25685672 UVXIECAVYGWQII-UHFFFAOYSA-N 424.932 3.251 0 40 HGAB CC[C@@H]1CCc2sc(-c3nn(CN4CCC(C(N)=O)CC4)c(=S)n3C)cc2C1 26552076 CJORCBGUCNSVPA-CYBMUJFWSA-N 419.620 3.349 0 40 HGAB COc1ccc2c(c1)CCCN2C(=O)c1cc(S(=O)(=O)NC2CC2)ccc1C 27067750 UKTSKQISWGAFRO-UHFFFAOYSA-N 400.500 3.037 0 40 HGAB CCOC(=O)Cc1csc(NC(=O)c2ccc(CN3C[C@H](C)O[C@H](C)C3)cc2)n1 28930988 MCJBIURNGFHZNO-GASCZTMLSA-N 417.531 3.110 0 40 HGAB O=C(CCc1nnc(-c2ccsc2)o1)N1CCN(Cc2ccccc2F)CC1 30699634 UYKPVIWZTURWFZ-UHFFFAOYSA-N 400.479 3.214 0 40 HGAB O=C(Nc1ccc(Br)cc1)C1=C(c2ccccc2)S(=O)(=O)CCO1 32092378 FJQBDVDJDGCTIF-UHFFFAOYSA-N 408.273 3.201 0 40 HGAB CSCC[C@@H](C(=O)NC1C2CC3CC(C2)CC1C3)N1C(=O)c2ccccc2C1=O 32721502 RYTWKBGRQNQGPX-LEWGMDFTSA-N 412.555 3.345 0 40 HGAB C[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc2[nH]c(C(C)(C)C)nc2c1 32753554 DEKGEILKCHVJNC-GFCCVEGCSA-N 418.494 3.305 0 40 HGAB CCCn1c(=O)c2cc(Cl)ccc2n2c(SCC(=O)N[C@H](C)CC)nnc12 33255046 XPVPMHVIVQASMU-LLVKDONJSA-N 407.927 3.114 0 40 HGAB CC(C)C(=O)Nc1ccc2c([C@@H](C(=O)O)N3CCN(c4ccccn4)CC3)c[nH]c2c1 36359899 ORGMCLRBZFZGOY-NRFANRHFSA-N 421.501 3.105 0 40 HGAB O=C(c1cc(=O)c(OCc2ccccc2F)co1)N1CCN(Cc2ccccc2)CC1 36360246 QWVYTZSBZXFPDJ-UHFFFAOYSA-N 422.456 3.316 0 40 HGAB COc1ccc2cc([C@@]3(C)NC(=O)N(C[C@H](O)c4ccccc4F)C3=O)ccc2c1 40068495 YZXMBBFXTYNOHD-NZQKXSOJSA-N 408.429 3.488 0 40 HGAB COc1ccc(OC)c([C@@H]2c3[nH]cnc3CCN2C(=O)Nc2ccccc2C(=O)O)c1 40313132 JZRIJJNAZWFKRE-HXUWFJFHSA-N 422.441 3.305 0 40 HGAB biogenic CC[C@H](C)[C@H](NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(Cl)cc1F)C(=O)OC 43735308 SQOPRNAXDWZKHQ-SDDDUWNISA-N 422.888 3.447 0 40 HGAB O=C(NCCc1ccc2c(c1)OCO2)c1ccc(Cn2nnc3ccccc32)cc1 45500679 SMGWXNGYXLTOQY-UHFFFAOYSA-N 400.438 3.181 0 40 HGAB COc1ccc(S(=O)(=O)c2cnc(N(C)Cc3ccccc3)nc2N)cc1Cl 49007294 LBLPJKVLCVDOBV-UHFFFAOYSA-N 418.906 3.190 0 40 HGAB Cc1cc(C)c(S(=O)(=O)Nc2ccccc2Cl)c(C)c1NS(C)(=O)=O 55547381 LDNVANOHYOFWLN-UHFFFAOYSA-N 402.925 3.438 0 40 HGAB Cc1ccc(C)c(N2CCN([C@H](CC(C)C)c3nnnn3C[C@@H]3CCCO3)CC2)c1 57670503 NEQLBBBDOZNFGI-RBBKRZOGSA-N 412.582 3.378 0 40 HGAB CC[C@H](C)NC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(C)cc2)c2ccc(C)cc2O1 64985941 TVPYGCCKSNZWDM-JXFKEZNVSA-N 402.516 3.174 0 40 HGAB O=C(CCc1nnc(-c2ccccc2)o1)N1CCCN(c2nc3ccccc3[nH]2)CC1 69970257 YVUGOFIBYKHTIT-UHFFFAOYSA-N 416.485 3.284 0 40 HGAB CSc1cccc(NC(=O)CCc2nnc3ccc(-n4nc(C)cc4C)nn23)c1 71280080 BYMFIXHZLSZKEH-UHFFFAOYSA-N 407.503 3.220 0 40 HGAB COc1cccc(NC(=O)Cn2nnc(C(=O)Nc3c(C)cc(C)cc3C)c2C)c1 71327358 BYGKSGWJCRXYHW-UHFFFAOYSA-N 407.474 3.411 0 40 HGAB O=C(CN1CCOCC1)N1CCC(c2cccc(Cc3ccccc3Cl)n2)CC1 72349716 BUQWFKBKXLEUBW-UHFFFAOYSA-N 413.949 3.364 0 40 HGAB CCC(=O)N1N=C(c2ccc(NS(C)(=O)=O)cc2)C[C@@H]1c1cccc2nccnc12 95115951 NBMNQPRBNHKWIX-LJQANCHMSA-N 423.498 3.089 0 40 HGAB Cc1cnn(-c2ccc(S(=O)(=O)N3CCC(Cc4cccnc4)CC3)cc2F)c1 95457556 DQZPTBHGQLTKCJ-UHFFFAOYSA-N 414.506 3.358 0 40 HGAB O=C(Nc1ccc2c(c1)C(=O)N1CCC[C@@H]1C(O)=N2)c1cncc(Br)c1 95472706 ULAFYMUHFAPAAT-OAHLLOKOSA-N 415.247 3.303 0 40 HGAB O=C(NCCOC(=O)c1ccc(Br)cc1C(F)(F)F)c1ccncc1 95997395 AQRNGRDHRBYSAJ-UHFFFAOYSA-N 417.181 3.450 0 40 HGAB O=C(NCCN1CCOCC1)c1ccc2onc(-c3coc(-c4ccccc4)n3)c2c1 96147745 OHGHBGJUVALSIZ-UHFFFAOYSA-N 418.453 3.212 0 40 HGAB COCc1cccc(C(=O)NCCN2C(=O)S/C(=C/c3ccc(F)cc3)C2=O)c1 96875412 ZBJDOECOHPTRQY-LDADJPATSA-N 414.458 3.438 0 40 HGAB Cn1nc(C(=O)NC2CCN(c3cc(-c4ccccc4)n[nH]3)CC2)c2ccccc21 98212617 GTAXBPMTRXXWEF-UHFFFAOYSA-N 400.486 3.362 0 40 HGAB C[C@H](NC(=O)Cc1c[nH]c2ccccc12)c1cc(O)n2nc(C3CCOCC3)cc2n1 100769382 ASPPCKGAXUQFCZ-AWEZNQCLSA-N 419.485 3.230 0 40 HGAB CCOC(=O)Cn1/c(=N/C(=O)c2ccc(C(C)=O)cc2)sc2cc(F)ccc21 100877303 NCNNZWIJGRRBPV-XDOYNYLZSA-N 400.431 3.349 0 40 HGAB CC(C)c1ccc2c(c1)s/c(=N/C(=O)c1ccc(S(=O)(=O)N(C)C)cc1)n2C 100893694 HIBXZGUMYWQXEP-QZQOTICOSA-N 417.556 3.355 0 40 HGAB O=C(CCC(=O)N1CCN(c2cccc(Cl)c2)CC1)NC[C@@H]1C[C@H]2C=C[C@H]1C2 101371915 VJRHGAGTROIVNG-BZSNNMDCSA-N 401.938 3.097 0 40 HGAB C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O 102085707 NULPPYSPHVETMP-XEOBMEEBSA-N 405.281 3.374 0 40 HGAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](NC(=O)Cn1cnc3ccc(Br)cc3c1=O)C2 102135078 NDXSXDQWTMPBHH-KRYHZZBUSA-N 418.335 3.490 0 40 HGAB CC[C@H](C(=O)Nc1ccc(OC)cc1OC)N(c1ccccc1F)S(C)(=O)=O 220587319 MBFRXKBJXOYNQH-MRXNPFEDSA-N 410.467 3.026 0 40 HGAB O=C(COc1ccc2c(c1)CCCC2)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 223638249 FKMRQIZFEGVXOS-FQEVSTJZSA-N 408.498 3.492 0 40 HGAB CN(c1ccccc1C(=O)NCCOc1ccccc1C(C)(C)C)S(C)(=O)=O 223686586 IBDRGRLAXRSPMH-UHFFFAOYSA-N 404.532 3.189 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)CCc1ccc(F)cc1 225126856 QMNCDIDQLSHADN-UHFFFAOYSA-N 406.479 3.190 0 40 HGAB Cc1ccc(C)c(N(CC(=O)Nc2nnc(-c3ccccc3)s2)S(C)(=O)=O)c1 225224158 MPYBNDAMZZIPSJ-UHFFFAOYSA-N 416.528 3.227 0 40 HGAB CCCn1c(=O)sc2cc(S(=O)(=O)N[C@@H](C)COc3ccccc3)ccc21 225735148 BAMUFMAUWUMJCL-AWEZNQCLSA-N 406.529 3.219 0 40 HGAB O=S(=O)(c1ccc(Oc2ccccc2Cl)cc1)N1CC[C@@H](n2nccn2)C1 239612027 FHQGNAPNTJKDJA-CQSZACIVSA-N 404.879 3.360 0 40 HGAB Cc1nc(C)n(CCC(=O)N2CCO[C@H](c3cccc(Cc4ccc(F)cc4)n3)C2)n1 257217271 CYHAPGSSRSNGGS-QFIPXVFZSA-N 423.492 3.010 0 40 HGAB CN1CCN(Cc2ccc3c(c2)OCO3)C[C@@H]1c1cn2c(N3CCCC3)cccc2n1 306140318 UPRAXCVRIURPQJ-HXUWFJFHSA-N 419.529 3.152 0 40 HGAB Cc1c(Cl)cccc1N1C[C@@H](C(=O)OCC(=O)N[C@H](C)c2ccccc2)CC1=O 408672722 ZPUMATOAQZDCQF-WBVHZDCISA-N 414.889 3.422 0 40 HGAB COc1ccc(F)c2[nH]c(C(=O)NC3CCN(C(=O)c4cc(Cl)c[nH]4)CC3)cc12 561329767 NHJPKJWZJSPIKS-UHFFFAOYSA-N 418.856 3.332 0 40 HGAB CC(C)C[C@@H](C(=O)OCC(=O)Nc1ccc(F)cc1)N1C(=O)c2ccccc2C1=O 1916952 XRVSAJHJFFDNEM-SFHVURJKSA-N 412.417 3.018 0 40 HGAB CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)OCc1ccc(CC(=O)O)cc1 2564741 OPSTZZKQVYDHNB-LJQANCHMSA-N 413.470 3.493 0 40 HGAB COc1cc(C(C)=O)ccc1OC[C@@H](O)CN1CCN(c2ccc(C)c(C)c2)CC1 2709682 RJAPZZNJUABBLC-QFIPXVFZSA-N 412.530 3.077 0 40 HGAB Cn1ccnc1C(=O)c1cc(Sc2nnnn2-c2ccccc2)nc2ccccc12 3353939 PHWCGXZDQDIEAX-UHFFFAOYSA-N 413.466 3.326 0 40 HGAB CCOC(=O)[C@@]1(C(F)(F)F)N=C(c2ccc(F)cc2)OC(N2CCCCC2)=N1 4452586 DQZJGNILYSVCSB-QGZVFWFLSA-N 401.360 3.266 0 40 HGAB O=C(COC(=O)[C@H]1CC(=O)N(C2CCCCC2)C1)c1ccc(Br)cc1 4555274 UXUSPSBYBSGMGI-AWEZNQCLSA-N 408.292 3.356 0 40 HGAB Cc1ccc(NC(=O)Cc2nnc(SCC(=O)NC3CCCCC3)n2C)c(C)c1 4814665 DZRSMFVMUOWAFW-UHFFFAOYSA-N 415.563 3.154 0 40 HGAB Cc1ccc(CNC(=O)CN(C)S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 4834778 RAQKIKBOWBMARA-UHFFFAOYSA-N 401.315 3.239 0 40 HGAB COc1ccc(NC(=O)Cn2c(=O)n(-c3ccc(C)cc3)c(=O)c3ccccc32)cc1 4905017 IIZUEDWTFWEMIG-UHFFFAOYSA-N 415.449 3.108 0 40 HGAB O=C(NC1CCCC1)[C@H](Cc1ccccc1)NC(=O)N1CCn2c1nc1ccccc12 5451205 DAROBCXRZUZRMU-FQEVSTJZSA-N 417.513 3.236 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)CSc2nc3ccccc3[nH]2)cc1 6161697 TXMKQOVCQUKVGO-UHFFFAOYSA-N 418.544 3.324 0 40 HGAB O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)Nc1ccc2c(c1)OCO2 6553145 VSIOFVKDNMZNSL-UHFFFAOYSA-N 405.435 3.492 0 40 HGAB COc1cc(C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)ccc1OC(F)F 7159304 VFAMPXNZZMDQNG-UHFFFAOYSA-N 414.430 3.108 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)Nc2cc(OC)ccc2OC)cc1 7971518 BSWAKCITPPRATB-NTEUORMPSA-N 418.515 3.386 0 40 HGAB COc1ccc(CC(=O)NC[C@@H](c2cccnc2)S(=O)(=O)c2ccc(C)cc2)cc1 8718008 SOUBXVXOKHMUCC-QFIPXVFZSA-N 424.522 3.273 0 40 HGAB COCCOC(=O)C1=C(C)N=C2Nc3ccccc3N2[C@H]1c1ccc(O)c(OC)c1 8739014 DFNFWTWNLDULMG-FQEVSTJZSA-N 409.442 3.207 0 40 HGAB Cc1ccc(CNC(=O)[C@H](Cc2ccccc2)n2c(=O)[nH]c3ccccc3c2=O)cc1 8914236 TZVFPXQCLRQJGW-QFIPXVFZSA-N 413.477 3.098 0 40 HGAB COCCn1c(S[C@H](C)C(N)=O)nc2scc(-c3ccccc3Cl)c2c1=O 9141039 UYDLJXMHRHFSII-SNVBAGLBSA-N 423.947 3.391 0 40 HGAB O=C(NC(=S)Nc1ccc(I)cn1)c1ccccc1Cl 9462193 JAHOJHOFMZTLLU-UHFFFAOYSA-N 417.659 3.466 0 40 HGAB CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)c1ccc(OC(F)(F)F)cc1 9634655 HQALIARODQXAIU-UHFFFAOYSA-N 424.375 3.457 0 40 HGAB Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)N[C@@H](C)c1cccc(S(N)(=O)=O)c1 12856903 GHSBSDDZDLRTSF-HNNXBMFYSA-N 424.588 3.288 0 40 HGAB CCOC(=O)C1=C(CN(C)Cc2ccsc2)NC(=O)N[C@@H]1c1ccc(OC)cc1 12914880 VNAHQAOYRVMDHO-LJQANCHMSA-N 415.515 3.060 0 40 HGAB CCCCc1ccc(NC(=O)CN(C)S(=O)(=O)c2cc(F)ccc2OC)cc1 13581065 IOSIRKNCAKVLFQ-UHFFFAOYSA-N 408.495 3.436 0 40 HGAB O=C(NCC1(N2CCOCC2)CCCCC1)c1ccc(Cl)c(N2CCCC2=O)c1 14083655 IFGQVGVBDMSFBM-UHFFFAOYSA-N 419.953 3.232 0 40 HGAB Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)c2cccc3cccnc23)CC1 14249158 GWSJZKPIXPFPSR-UHFFFAOYSA-N 402.498 3.248 0 40 HGAB COC(=O)c1cccc(OC[C@H](O)CSc2nnc(C)n2-c2ccc(C)cc2)c1 15233863 HNKYQMVSEJAEJS-SFHVURJKSA-N 413.499 3.203 0 40 HGAB N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1c1cc(C(F)(F)F)cc(C(F)(F)F)c1 16806109 ABRNRMCBTPZDPW-ZJUUUORDSA-N 404.357 3.378 0 40 HGAB O=C(c1cc(Cl)ccc1Cl)N1CCN(c2ccc3nnc(C4CC4)n3n2)CC1 16848032 SFRRQVDEITZMGR-UHFFFAOYSA-N 417.300 3.271 0 40 HGAB O=C(NCc1ccc2c(c1)OCCO2)c1cccc(NS(=O)(=O)c2ccccc2)c1 17860899 BMVDKINJBKSQRS-UHFFFAOYSA-N 424.478 3.189 0 40 HGAB Cc1cc2nc(C)n(CC(=O)N(CCN(C)C)Cc3ccc4c(c3)OCO4)c2cc1C 19125206 BRAUZHKRULJPTI-UHFFFAOYSA-N 422.529 3.281 0 40 HGAB O=C(CN1c2cccc3cccc(c23)S1(=O)=O)OCc1cc(-c2ccco2)on1 19131268 CHHUEMQPJRBPDA-UHFFFAOYSA-N 410.407 3.340 0 40 HGAB CC(=O)N1C[C@@H](c2cccc(C)c2)[C@@H]2CN(S(=O)(=O)c3ccc(C)cc3)CC[C@@H]21 19211617 ITATZIQMIDMKNB-VABKMULXSA-N 412.555 3.329 0 40 HGAB CSc1nc2nc(C)c(CC(=O)O[C@H](C)c3nnc(-c4ccccc4)o3)c(C)n2n1 19356647 QWKMRPMAPACCFA-CYBMUJFWSA-N 424.486 3.360 0 40 HGAB COCC(=O)N1CC[C@@](Cc2ccc(-c3cccs3)cc2)(C(=O)NC(C)C)C1 19449227 QGJUNEVQDSORLO-QFIPXVFZSA-N 400.544 3.347 0 40 HGAB CCc1ccc(CN2CCC[C@H](c3nc4c(c(=O)[nH]3)CN(C(=O)C3CC3)CC4)C2)cc1 19522875 JOOGOVVGVOVCHQ-FQEVSTJZSA-N 420.557 3.007 0 40 HGAB COc1ccc(-c2nccnc2[C@@H]2CN(CC(=O)Nc3ccc(F)cc3)CCO2)cc1 19693244 XPIZSTMEHJGVBT-FQEVSTJZSA-N 422.460 3.303 0 40 HGAB Cc1nccn1CC1CCN(C(=O)c2cnn3c(-c4ccccc4)ccnc23)CC1 19717277 OFOOQKAKDMAPSG-UHFFFAOYSA-N 400.486 3.454 0 40 HGAB CC(=O)N(C)Cc1cc(N(C)C)nc([C@H]2CCCN2C(=O)CCC2CCCC2)n1 19760871 MPMCNGPBJSJFDM-LJQANCHMSA-N 401.555 3.155 0 40 HGAB O=C(CN1CCOCC1)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 21822438 HYGFOSSEOLDFFH-UHFFFAOYSA-N 407.392 3.228 0 40 HGAB COc1ccc(Nc2nc(N3C[C@@H](C)O[C@H](C)C3)nc3c2cnn3C)cc1Cl 21873437 JYOWHEAUDCKXPU-VXGBXAGGSA-N 402.886 3.383 0 40 HGAB CCC[C@H](C)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(OCC)cc1 22247771 SQBVKDRHWUPHBD-UWJYYQICSA-N 418.559 3.280 0 40 HGAB CCOc1ccc(N(CC(=O)Nc2ccc(F)c(Cl)c2)S(C)(=O)=O)cc1 22273777 LYXYFSAPKANBMJ-UHFFFAOYSA-N 400.859 3.283 0 40 HGAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)cc1C 22539456 DEFGZDNGXJDFGP-CABCVRRESA-N 408.495 3.077 0 40 HGAB Cc1noc(C)c1CCC(=O)NCCN1C(=O)S/C(=C\c2ccccc2F)C1=O 23121783 ALYUFKMEMXYVLJ-BOPFTXTBSA-N 417.462 3.216 0 40 HGAB Cc1oc(-c2ccccc2)nc1CC(=O)N1C[C@@H](C(=O)N(C)C)Oc2ccccc21 25052763 LJAODMGRRRQKOI-FQEVSTJZSA-N 405.454 3.075 0 40 HGAB Cc1ccc(C)c(N2N=C(C(=O)N3CCN(Cc4ccccc4)CC3)CCC2=O)c1 25784799 GYPDWABNEWDWRG-UHFFFAOYSA-N 404.514 3.131 0 40 HGAB COc1ccc([C@H]2CCCN2C(=O)CN(c2ccccc2C)S(C)(=O)=O)cc1 28314475 YESAIDUOKGXTFZ-HXUWFJFHSA-N 402.516 3.133 0 40 HGAB C[C@@H](CNC(=O)NC1CCN(Cc2ccccc2)CC1)N1CCc2sccc2C1 31663795 PVEPWNGYLNRJRX-SFHVURJKSA-N 412.603 3.459 0 40 HGAB CSc1ccc(N2C[C@H](C(=O)NC[C@H](c3cccc(F)c3)N(C)C)CC2=O)cc1 32730850 ZVOWKENQCALEFI-OXQOHEQNSA-N 415.534 3.320 0 40 HGAB CCN1C(=O)/C(=C/c2cn(CC(=O)N3CCCC[C@@H]3C)c3ccccc23)NC1=S 39556442 NIIXTZLDIPYDIQ-BRYHAGSVSA-N 410.543 3.120 0 40 HGAB O=C(Cc1ccc(N2CCCC2=O)cc1)NCc1ccc(N2CCCCCC2)nc1 40122099 ZYKHEFFWDSWYCS-UHFFFAOYSA-N 406.530 3.448 0 40 HGAB O=C(NCC1CCN(C(=O)/C=C/c2ccco2)CC1)c1cc(=O)c2ccccc2o1 44002079 RYKNYEWICOFDLM-BQYQJAHWSA-N 406.438 3.068 0 40 HGAB COC(=O)c1ccc(C(=O)NCC2CCN(C(=O)Nc3ccc(F)cc3)CC2)cc1 44005577 JIGIXCZOBSSETA-UHFFFAOYSA-N 413.449 3.286 0 40 HGAB Cc1cc(C)cc(C2(C(=O)N3CCC(NS(=O)(=O)c4cccs4)CC3)CC2)c1 48364927 DVFCHSLRMCMWJA-UHFFFAOYSA-N 418.584 3.366 0 40 HGAB CC(=O)NC1CCN(C(=O)COc2ccc3ccccc3c2Br)CC1 50416148 XBNLXXGFNISAII-UHFFFAOYSA-N 405.292 3.108 0 40 HGAB C[C@@H](Nc1cnn(-c2ccccc2)c(=O)c1Cl)c1ccc(S(C)(=O)=O)cc1 52720318 PVRXTKNAKCQYOR-CYBMUJFWSA-N 403.891 3.463 0 40 HGAB CN(Cc1ccco1)C(=O)[C@H]1CSCN1C(=O)Cc1ccc(C(F)(F)F)cc1 58145645 UZHCQUOUXMXCFB-MRXNPFEDSA-N 412.433 3.401 0 40 HGAB CC(C)NC(=O)Nc1ccccc1C(=O)NCc1cccc(CN2CCO[C@@H](C)C2)c1 58148698 NDFXDLLMZVQVLD-SFHVURJKSA-N 424.545 3.367 0 40 HGAB Cc1ccc(C)c(NC(=O)Cn2c(-c3cccc(F)c3)nc(C)c(CCO)c2=O)c1 67316792 ITJCSCSYXMGONZ-UHFFFAOYSA-N 409.461 3.148 0 40 HGAB CC[C@H](C)N1C(=O)c2ccccc2[C@@H](C(=O)N2CCC(C(N)=O)CC2)C12CCCC2 71279358 LLXXEBZGIOCXHX-JXFKEZNVSA-N 411.546 3.061 0 40 HGAB O=C(O)CCc1ccc(S(=O)(=O)N2CCc3cc(Br)ccc32)cc1 71833039 YFJIPJYXFINELF-UHFFFAOYSA-N 410.289 3.218 0 40 HGAB CC(C)(C)OC(=O)N1CCC(CC(=O)NC[C@@H](CO)Cc2ccccc2F)CC1 72303105 MTMMSTMIXCYYRG-KRWDZBQOSA-N 408.514 3.130 0 40 HGAB C[C@H]1CN(c2ccc(C(=O)NCC(C)(C)c3ccc4c(c3)OCO4)cn2)C[C@H](C)O1 89936841 ZKBKDIRUBBSPRR-HOTGVXAUSA-N 411.502 3.132 0 40 HGAB CC[C@H](c1ccccc1)c1nnc(NC(=O)CN2C(=O)c3ccccc3C2=O)s1 95116319 UJFHQOWKNAHSDE-CQSZACIVSA-N 406.467 3.315 0 40 HGAB C[C@H]1[C@H](C)N(S(=O)(=O)c2cnc(Cl)c(Cl)c2)CCN1C(=O)OC(C)(C)C 95988846 MFMGFFGFQJSVJL-QWRGUYRKSA-N 424.350 3.407 0 40 HGAB CSc1ccc([C@@H](O)CNC(=O)C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 96103275 FDTCBJPJHJNSBS-HNNXBMFYSA-N 414.405 3.095 0 40 HGAB Cc1ccccc1C(=O)N1CCC2(CC1)c1ncc(-c3cccnc3)n1CCN2C 96263327 WMRCYINAHSTMDR-UHFFFAOYSA-N 401.514 3.330 0 40 HGAB C[C@@H](NCc1cn2ccsc2n1)c1cc2c(cc1Br)NC(=O)CO2 97161950 PPSZSXHWRMZBIL-SECBINFHSA-N 407.293 3.340 0 40 HGAB COc1ccccc1N1CCN(C(=O)[C@H]2[C@H]3CC[C@@H](C3)N2C(=O)c2ccccc2)CC1 100816140 GEHZJSPGDPXUNH-SXWKCWPCSA-N 419.525 3.037 0 40 HGAB C[C@@H]1C=CC[C@H]2C(=O)N(c3ccc(C(=O)OCC(=O)c4ccccc4)cc3)C(=O)[C@H]12 101229914 VWSMYSSTIUFCTD-QFIXIFRTSA-N 403.434 3.428 0 40 HGAB CSCC[C@H](C(=O)Nc1cccc2cccnc12)N1C(=O)[C@H]2CCCC[C@H]2C1=O 101407190 IFRZJLDLUSVSHH-SOLBZPMBSA-N 411.527 3.470 0 40 HGAB Cc1cccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4CC=CC[C@H]4C3=O)cc2)c1 136286014 AZVXYIZSOFZYGE-BGYRXZFFSA-N 418.449 3.246 0 40 HGAB CCOc1cc(=O)n2c(c1C(=O)N1CCN(c3cccc(Cl)c3)CC1)CCCC2 169755657 LWAKYLWBKXBVEF-UHFFFAOYSA-N 415.921 3.199 0 40 HGAB COC(=O)[C@@H]1C[C@H](Oc2ccccc2F)CN1C(=O)CSCc1ccccc1 206796486 GSTUHQVWLAHPDT-WMZOPIPTSA-N 403.475 3.280 0 40 HGAB O=C(Nc1ccc2ccccc2c1)c1ccc(CS(=O)(=O)N2CCOCC2)cc1 216297585 KGRUQNQWFBSHRM-UHFFFAOYSA-N 410.495 3.254 0 40 HGAB COc1ccc(N([C@@H](C)C(=O)Nc2cccc(Cl)c2)S(C)(=O)=O)cc1OC 220226025 IFCMBXYZJPJUPQ-LBPRGKRZSA-N 412.895 3.150 0 40 HGAB Cc1c(C(=O)Nc2ccccc2C(=O)NC(C)(C)C)cccc1N(C)S(C)(=O)=O 222435720 LEAWWKGDYFDXTC-UHFFFAOYSA-N 417.531 3.171 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N(C)c2ccc(C)c(C)c2)cc1 222748216 DVNLUFAUPRTVHY-UHFFFAOYSA-N 404.532 3.376 0 40 HGAB COCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccccc1OC 222999782 YZCQMJLFEBAUCF-LEWJYISDSA-N 408.527 3.500 0 40 HGAB Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)n1-c1cccnc1 223261315 HXLZQIONRSLRHY-LEWJYISDSA-N 406.559 3.110 0 40 HGAB CC[C@H](NC(=O)CN(c1cccc(F)c1)S(C)(=O)=O)c1ccc(OC)c(C)c1 223770841 KOIJIAIXLCFRHL-SFHVURJKSA-N 408.495 3.176 0 40 HGAB COc1ccccc1[C@H](C)NC(=O)CN(c1cccc2ccccc12)S(C)(=O)=O 224037278 LXJQHDJYXZBDGG-INIZCTEOSA-N 412.511 3.492 0 40 HGAB Cc1cccc(OCCNC(=O)[C@H](C)N(c2cc(Cl)ccc2C)S(C)(=O)=O)c1 224044542 HYVZHRPHRMYFDW-INIZCTEOSA-N 424.950 3.307 0 40 HGAB CCOC(=O)c1ccc(N(CC)S(=O)(=O)c2ccc(NC(C)=O)cc2)c(C)c1 224903926 KJVITPXRPLTXGJ-UHFFFAOYSA-N 404.488 3.345 0 40 HGAB COc1ccc2cc(S(=O)(=O)NCCc3ccc(OC)c(OC)c3)ccc2c1 225325319 NHECNQIBJYGADM-UHFFFAOYSA-N 401.484 3.387 0 40 HGAB CCCN1C(C)=NS(=O)(=O)c2cc(C(=O)N(C)Cc3ccc(OC)cc3)ccc21 225865571 KQRAEXXPSZAFTI-UHFFFAOYSA-N 415.515 3.305 0 40 HGAB FC(F)(F)c1cc(N2CCCCCC2)nc(NC(=S)NC[C@H]2CCCO2)n1 225910293 PVFRVFQUZGLGOH-GFCCVEGCSA-N 403.474 3.341 0 40 HGAB COc1ccc(C(=O)Nc2cc(N)ccc2N2CCN(C)CC2)cc1Br 226259699 CUWSSAZZILOSNM-UHFFFAOYSA-N 419.323 3.044 0 40 HGAB O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@@H]34)[C@H]2C(=O)N1CN(C(=O)C(F)(F)F)c1ccccc1Cl 226400798 JVRDQUOEXUDOPB-WJWBUKISSA-N 424.806 3.246 0 40 HGAB COc1ccc(CN2C[C@@H]3CN(C(=O)Cc4ccccc4)CCN3C(C)(C)C2)cc1 253401346 MSSYRYCDPCXLJP-JOCHJYFZSA-N 407.558 3.045 0 40 HGAB biogenic,in-vitro CCc1nnsc1C(=O)N1CC[C@H](c2c(C(=O)NC)sc3ccccc23)C1 257235606 GYOWQFMZJFSEPI-NSHDSACASA-N 400.529 3.305 0 40 HGAB CNc1cc(C(=O)N2CCO[C@H](c3cccc(Cc4cccc(OC)c4)n3)C2)ccn1 257282806 OVJOCAWPPOTGIL-QFIPXVFZSA-N 418.497 3.331 0 40 HGAB O=C(c1ccc2c(c1)OCCCO2)N1CCO[C@@]2(CCCC[C@H]2N2CCCC2)C1 306127737 GFXDHOOYKCPMKA-GGAORHGYSA-N 400.519 3.098 0 40 HGAB O=C(Nc1ccc2c(c1)OCCO2)N1CCC(S(=O)(=O)Cc2ccccc2)CC1 390832140 XPPQRFUMAPTELS-UHFFFAOYSA-N 416.499 3.069 0 40 HGAB Cc1nn(C)c(C)c1/C=C/C(=O)N1CC[C@@]2(CCCO2)[C@@H](OCc2ccccc2)C1 585290305 QFWMSSZDESPGLW-HOILZHLUSA-N 409.530 3.417 0 40 HGAB COC(=O)[C@@]1(C)CN(C(=O)c2ccc(C(=O)NCc3cccc(C)c3)cc2)C[C@@H]1C 1557930838 JLHRYIBHTXVRRL-XDHUDOTRSA-N 408.498 3.196 0 40 HGAB CC1=C(C(=O)Nc2ccccn2)[C@H](c2cccc(Br)c2)n2ncnc2N1 703554 OORIQUKUFFMEOD-INIZCTEOSA-N 411.263 3.363 0 40 HGAB O=C1CS[C@]2(C(=O)Nc3ccccc32)N1c1ccc(I)cc1 1240132 MRQQVEMEOZBBNT-MRXNPFEDSA-N 422.247 3.176 0 40 HGAB COC(=O)[C@](NNc1ccccc1)(NC(=O)c1ccc(Cl)cc1)C(F)(F)F 2050357 GCVWWGVSROWQRQ-MRXNPFEDSA-N 401.772 3.118 0 40 HGAB CSc1nc(N(CO)CCO)c2sc3nc(CC(C)C)c4c(c3c2n1)CCC4 2413080 PIKRHUPALGNXHH-UHFFFAOYSA-N 418.588 3.397 0 40 HGAB O=C(CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O)Nc1ccc(Cl)cc1F 2643949 GKLLHMARVQWFQX-FQEVSTJZSA-N 401.825 3.201 0 40 HGAB CCc1cccc2c(C(=O)COC(=O)[C@@H](C)N3C(=O)c4ccccc4C3=O)c[nH]c12 2644362 IOTPXQCRLSXGTQ-CYBMUJFWSA-N 404.422 3.141 0 40 HGAB COC[C@@H](C)n1c(SCC(=O)N2CCc3ccccc3C2)nc2ccccc2c1=O 3403328 ZBYNUFLJZXOLOC-MRXNPFEDSA-N 423.538 3.281 0 40 HGAB COCCn1c(SCC(=O)N[C@@H](C)c2ccc(F)cc2)nc2ccccc2c1=O 3449764 LGLKMTHUBYPTAF-AWEZNQCLSA-N 415.490 3.152 0 40 HGAB CCOc1ccccc1NC(=O)Cn1cnc2c(cnn2-c2ccc(C)c(C)c2)c1=O 4142115 QWKCWPFTYWDSPI-UHFFFAOYSA-N 417.469 3.236 0 40 HGAB CCN1C(=O)N/C(=C/c2cn(CC(=O)Nc3ccc(F)cc3)c3ccccc23)C1=O 4516853 CQCGVGZHMUIBEX-WOJGMQOQSA-N 406.417 3.332 0 40 HGAB CCCCC(=O)Nc1ccccc1-c1nnn(CC(=O)Nc2ccc(OC)cc2)n1 4568755 VAYNSSDTRRFSCK-UHFFFAOYSA-N 408.462 3.116 0 40 HGAB COC(=O)CN1C(=O)S/C(=C/c2ccc(-c3cc(C(=O)OC)ccc3C)o2)C1=O 4694735 FLBNKDIBOYECSH-CXUHLZMHSA-N 415.423 3.251 0 40 HGAB COc1ccc(C2=NO[C@@H]3[C@H]4C[C@H]([C@@H]5C(=O)N(c6c(C)cccc6C)C(=O)[C@H]54)[C@@H]23)cc1 4744587 DEBBZXPRNSMGBS-AWWXRRJMSA-N 416.477 3.487 0 40 HGAB Cc1ccccc1NC(=O)Cc1nnc(SCC(=O)N[C@H]2CCCC[C@H]2C)n1C 4816139 NOWACPMWPNFQHC-WBVHZDCISA-N 415.563 3.092 0 40 HGAB Cc1cc(C)cc(N(CC(=O)NC2CCCC2)C(=O)CNC(=O)c2cccs2)c1 4875770 RERDQUOECWPEKM-UHFFFAOYSA-N 413.543 3.187 0 40 HGAB Cc1nn(C)c(C)c1/C=C/C(=O)OCc1cc2c(cc1Br)OCCO2 5774412 DJRCOIYKZYXIRU-SNAWJCMRSA-N 407.264 3.327 0 40 HGAB Cc1cccc(NC(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)c1C 5815589 NPAJUGMPIFCQGE-HZPDHXFCSA-N 402.516 3.354 0 40 HGAB CCc1cc2c(=O)n(CC)c(SCC(=O)Nc3ccc4c(c3)OCO4)nc2s1 5937907 IOTJIFRYDXATHJ-UHFFFAOYSA-N 417.512 3.500 0 40 HGAB O=C1Nc2ccc(-c3ccccc3)cc2C(=O)N2CCN(C(=O)c3ccccc3)C[C@H]12 6131113 SBFCOQNQGHYTCP-JOCHJYFZSA-N 411.461 3.273 0 40 HGAB biogenic,in-vitro CC(=O)Oc1ccccc1-c1nc2s/c(=C\c3cccc4ccccc34)c(=O)n2n1 6363593 KBPUKVXDOJEIHP-MOSHPQCFSA-N 413.458 3.444 0 40 HGAB CSc1ccc(CN(C)CC(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)cc1 6784896 IHVGTHQPXUGKEI-UHFFFAOYSA-N 421.588 3.038 0 40 HGAB CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N[C@@H]2CCSc3ccccc32)C1=O 6848745 FMHMTKRJXIQJNV-VGSWGCGISA-N 409.511 3.197 0 40 HGAB CCOC(=O)c1sc(NC(=O)[C@@H](C)Sc2ncccn2)c(C(=O)OCC)c1C 9444100 FTKHOHTUVCLKDW-LLVKDONJSA-N 423.516 3.319 0 40 HGAB O=S1(=O)C[C@H]2N=C(SCc3ccccc3)N(CCc3ccc(F)cc3)[C@H]2C1 9484780 UEJMLSQGFYAHNE-MOPGFXCFSA-N 404.532 3.139 0 40 HGAB O=C(CSc1nnnn1Cc1ccccc1)Nc1ccc(N2CCCCC2)cc1 9548471 NDGYYOGVBCWJHH-UHFFFAOYSA-N 408.531 3.443 0 40 HGAB CCNC(=S)N(Cc1cccs1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 11419596 AGGCKFUIJSWCHW-UHFFFAOYSA-N 401.513 3.215 0 40 HGAB CC(C)N(C(=O)Cn1nc2n(Cc3ccccc3)c3ccccc3n2c1=O)C(C)C 12117643 YGUTULMEEYLQIQ-UHFFFAOYSA-N 405.502 3.144 0 40 HGAB CCCNC(=O)CN1CC2(CCN(Cc3ccccc3)CC2)Oc2ccccc2C1=O 12142661 VJNUXHRAGKOTSN-UHFFFAOYSA-N 421.541 3.082 0 40 HGAB CNC(=O)c1cc(=O)n(CC(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc12 12416937 KUIDXLCHOLZLCG-UHFFFAOYSA-N 403.360 3.019 0 40 HGAB biogenic,in-vitro CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)OCC(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C 12531337 GWMDAVQEBFMDBC-SLGAXEFGSA-N 406.498 3.064 0 40 HGAB Cc1ccccc1OCc1nnc(SCC(=O)N2CCOCC2)n1-c1ccccc1 12554380 VTWKHVYTMDGLSV-UHFFFAOYSA-N 424.526 3.106 0 40 HGAB CCOC(=O)c1ccc(OC[C@@H](O)CN2CCN(c3ccccc3Cl)CC2)cc1 12600659 ULUQUMJFDQUJRZ-SFHVURJKSA-N 418.921 3.079 0 40 HGAB CC[C@@H](C(=O)Nc1cccc(C(=O)NC2CC2)c1)n1nnc(-c2ccc(Cl)cc2)n1 12677327 OYVUTQHAUNDNRW-SFHVURJKSA-N 424.892 3.476 0 40 HGAB COc1ccc(NC(C)=O)cc1NC(=O)c1cccc(CN2C(=O)CSC2=O)c1 12734863 UQDWJCVSBFEUSZ-UHFFFAOYSA-N 413.455 3.101 0 40 HGAB Cc1cccc(C)c1NC(=O)CNC(=O)c1nn(-c2ccccc2Cl)c(C)cc1=O 12761645 FOAYCALWPWTOLO-UHFFFAOYSA-N 424.888 3.180 0 40 HGAB Cc1csc(=O)n1CC(=O)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CC1 12781485 IIXLYCCSRFRNCG-UHFFFAOYSA-N 404.879 3.113 0 40 HGAB COc1cccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)NC[C@@H]4CCCO4)cc3N2)c1 12845735 ZIMWSXYTLSLRRR-UXLLHSPISA-N 424.423 3.461 0 40 HGAB COc1ccc2c(CCNC(=O)Cc3c(C)c4ccc(O)cc4oc3=O)c[nH]c2c1 12895512 DWBFLGOCCPWBNM-UHFFFAOYSA-N 406.438 3.198 0 40 HGAB biogenic CCc1ccc([C@@H](CNC(=O)[C@@H](NC(=O)Cc2ccccc2)C(C)C)N(C)C)cc1 12909403 VBSVXWMWHDGVOV-VWNXMTODSA-N 409.574 3.351 0 40 HGAB COc1ccc2nc(NC(=O)CNC(=O)c3ccc(Br)o3)sc2c1 13004863 WGHVLVAAROKIEU-UHFFFAOYSA-N 410.249 3.029 0 40 HGAB O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(Cl)c(Cl)c1 13896926 ODAWOWRFHLURJF-UHFFFAOYSA-N 415.298 3.267 0 40 HGAB C[C@H](NC(=O)CCCCC(=O)N[C@H](C)[C@@H](O)c1ccccc1)[C@@H](O)c1ccccc1 16322572 QMYJLCSSUSXHJC-GRJZNYKUSA-N 412.530 3.023 0 40 HGAB Cc1ccc(C(=O)[C@H](C)OC(=O)CCn2nc(-c3cccs3)oc2=O)cc1C 16366478 ZPVLFGIUFIBVCD-AWEZNQCLSA-N 400.456 3.386 0 40 HGAB COc1cccc(NC(=O)CN(C)[C@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)c1 16622568 HNDYHIDAAWBFEL-GFCCVEGCSA-N 400.504 3.242 0 40 HGAB CC1(C)N=C(N)N=C(N)N1c1ccc(OCCCOc2ccccc2)c(Cl)c1 16951318 UTCUREXCXPTEBS-UHFFFAOYSA-N 401.898 3.373 0 40 HGAB COc1cccc(C(=O)NC(=S)Nc2ccc(N3CCN(C)CC3)c(Cl)c2)c1 17091729 VMPZRGGWDZGUBB-UHFFFAOYSA-N 418.950 3.227 0 40 HGAB CC(C)[C@@H](NC(=O)c1ccc2c(c1)C[C@H](C)O2)c1cc(=O)[nH]c(-c2ccccn2)n1 19497987 ALZIUNJOOPXMOE-LHSJRXKWSA-N 404.470 3.282 0 40 HGAB Cc1c(C(=O)N2CCN(Cc3cc(-c4cccnc4)nn3C)CC2)[nH]c2ccccc12 19565839 ZUSCOCLKBYVNSY-UHFFFAOYSA-N 414.513 3.230 0 40 HGAB COc1ccc2c(c1)CN(C(=O)c1cncnc1)CC1(CCC(CN(C)C)CC1)O2 19581821 ZOQJZQXEYDHKJN-UHFFFAOYSA-N 410.518 3.011 0 40 HGAB O=C(NCCN1CCN(C(=O)c2cccc(Cl)c2)CC1)c1cccc(Cl)c1 19596369 HQSIRJMHQROAIT-UHFFFAOYSA-N 406.313 3.181 0 40 HGAB O=C(NCC1CC1)c1ccc([C@@H]2CCCN(C(=O)COc3ccccc3F)C2)nc1 19705570 IDSNTOAFEFRHJO-GOSISDBHSA-N 411.477 3.146 0 40 HGAB Cc1ccc(-c2csnn2)cc1NC(=O)CCCN1C(=O)NC2(CCCC2)C1=O 19718292 WRZUVKKTBSFZMN-UHFFFAOYSA-N 413.503 3.097 0 40 HGAB CCc1nnc(-n2ccc3nc(C)c(C(=O)OC)c(-c4ccc(Cl)cc4)c3c2=O)[nH]1 19819224 IUGMWOZZNSUYOQ-UHFFFAOYSA-N 423.860 3.482 0 40 HGAB C[C@@H](Sc1nc(-c2ccccc2)n[nH]1)C(=O)N1CCN(Cc2ccccc2)CC1 22239249 QLIKHVZDCYSUDQ-QGZVFWFLSA-N 407.543 3.297 0 40 HGAB CCOc1ccc(OCC(=O)Nc2nc(CN3C[C@H](C)O[C@H](C)C3)cs2)cc1 22297030 PTSPLJVLWHQAIP-GASCZTMLSA-N 405.520 3.169 0 40 HGAB Cc1cccc(N(CC(=O)N[C@H]2CC(C)(C)Oc3ccccc32)S(C)(=O)=O)c1C 22340505 GWFPFUDXYPMBQA-SFHVURJKSA-N 416.543 3.488 0 40 HGAB O=C(NCc1ccccc1)C(=O)NC[C@H](c1cccs1)N1CCc2ccccc2C1 22908006 MWWSDCYORPLUHF-OAQYLSRUSA-N 419.550 3.280 0 40 HGAB COC(=O)c1cccc(S(=O)(=O)Nc2ccccc2C(=O)NCc2ccccc2)c1 24259307 VKLVKGITZXBXQR-UHFFFAOYSA-N 424.478 3.204 0 40 HGAB O=C(c1ccccc1)N1CCN(Cc2cc3c(cc2Br)OCCO3)CC1 24634988 MKVDVUUFKPQBEP-UHFFFAOYSA-N 417.303 3.178 0 40 HGAB Cc1cccc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccccc2F)n1 24987044 FVEWWNUUWOMDLK-GOSISDBHSA-N 413.474 3.057 0 40 HGAB O=C(CSc1nc(-c2cccs2)n[nH]1)Nc1cc(Cl)ccc1-n1cncn1 26046025 BGBKULQUGCBRAP-UHFFFAOYSA-N 417.907 3.498 0 40 HGAB Cc1cc(CN(C)C(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)no1 31651623 WPZRKKJCXVXKAJ-NRFANRHFSA-N 407.470 3.479 0 40 HGAB COc1cccc(-c2nn(Cc3ccccc3)cc2C(=O)O[C@H]2C[C@@H](C)OC2=O)c1 32736718 HFFRDRYAOCLSBT-QRWLVFNGSA-N 406.438 3.468 0 40 HGAB O=C(CCNS(=O)(=O)c1ccc(Cl)cc1)N(Cc1ccc(F)cc1)C1CC1 32748154 UPDQVGNXIADVKB-UHFFFAOYSA-N 410.898 3.339 0 40 HGAB CCN(C(=O)[C@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1)c1ccccc1C 32753806 PWWRHQULHQIHBI-KRWDZBQOSA-N 411.527 3.209 0 40 HGAB O=C(Cn1ccccc1=O)N1CCN(Cc2ccc(-c3cccc(F)c3)s2)CC1 32809449 FEUNYJXUNARQHN-UHFFFAOYSA-N 411.502 3.060 0 40 HGAB Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(C(C)(C)C)cc2)C1 32831301 QEWYATVFSRXBJK-MRXNPFEDSA-N 418.563 3.363 0 40 HGAB Cc1ccccc1OCC(=O)NCCN1C(=O)S/C(=C/c2ccc(F)cc2)C1=O 33472121 ZOSYGTKDWQNLCQ-LDADJPATSA-N 414.458 3.366 0 40 HGAB CCOc1ccc([C@@H]2[C@H](C(=O)Nc3ccccc3)[C@H](C)Nc3ncnn32)cc1OC 36701682 HJXMRPJZDVINSI-VHKYSDTDSA-N 407.474 3.344 0 40 HGAB CC(C)C(=O)N1CCCc2cc([C@H](O)CN3CCN(c4ccccc4)CC3)ccc21 36741217 VGWXPEQHZPQBDU-XMMPIXPASA-N 407.558 3.477 0 40 HGAB CCN(Cc1ccc2c(c1)OCO2)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 40094916 BOTUHHJBIICYKH-UHFFFAOYSA-N 408.458 3.267 0 40 HGAB COc1ccc(NC(=O)[C@@]23CCC(=O)N2c2ccccc2C(=O)N3CC(C)C)cc1 40313306 GRMZCIPHHBSLFF-HSZRJFAPSA-N 407.470 3.269 0 40 HGAB biogenic CCc1ccccc1NC(=O)Cn1ccn2nc(-c3ccc4c(c3)OCO4)cc2c1=O 46005205 AVWPQDRWZJMPFG-UHFFFAOYSA-N 416.437 3.093 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)NCc1ccoc1 47721253 LIHMCTVXJYKULP-UHFFFAOYSA-N 407.492 3.175 0 40 HGAB Cc1cccc(C)c1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 49809601 VYYFOBYNJHJFBB-OAHLLOKOSA-N 400.862 3.492 0 40 HGAB CCOc1c(Cl)cc(CNC(=O)CCc2c(C)nc3ncnn3c2C)cc1OC 55715432 NRXJHAJGNFMRPK-UHFFFAOYSA-N 417.897 3.051 0 40 HGAB Cc1cccc(NS(=O)(=O)c2cccc(C(=O)N3CCO[C@H]4CCC[C@H]43)c2)c1 56193074 OZHCVUYSFUJHMI-UXHICEINSA-N 400.500 3.189 0 40 HGAB CC[C@@H]1CCCCN1C(=O)Cn1c(=O)n(-c2ccccc2F)c(=O)c2sccc21 57490392 LIJPAJYHFYIFHZ-CQSZACIVSA-N 415.490 3.144 0 40 HGAB O=C(CN1CCN(c2cc(F)cc(F)c2)CC1)NC1CCC(C(F)(F)F)CC1 65512843 HQQJPJSRMNSDEF-UHFFFAOYSA-N 405.411 3.324 0 40 HGAB N=C(N)Nc1ccc(C(=O)Oc2ccc(CC(=O)OCc3ccccc3)cc2)cc1 65742690 VFYYEBRHWRQXNW-UHFFFAOYSA-N 403.438 3.497 0 40 HGAB in-vitro CC(C)n1ncc2cc(NC(=O)NC[C@H]3CN(Cc4ccccc4)CCO3)cnc21 69489748 XEMRDKVAZVGCEA-FQEVSTJZSA-N 408.506 3.035 0 40 HGAB Cc1c(Cl)cccc1NC(=O)C(=O)NC[C@H](O)c1ccc(C(F)(F)F)cc1 70640230 RMXRRRRCMPZBLT-HNNXBMFYSA-N 400.784 3.456 0 40 HGAB CC(C)[S@](=O)c1ccc(C(=O)NC[C@H](C)N2CCN(c3ccccc3)CC2)cc1 72294490 HUVTZKQGQVGQKT-ADXZGYQBSA-N 413.587 3.143 0 40 HGAB CCS(=O)(=O)Nc1ccc(NC(=O)[C@H]2CCCN2Cc2ccc(F)cc2)cc1C 72310090 LZGBXHUVJREZET-HXUWFJFHSA-N 419.522 3.499 0 40 HGAB COCC(=O)N1CCC[C@@H]1c1nc(C)c2c(n1)N(Cc1ccccc1OC)CCC2 72373743 RDEWPEZPFQQQBD-LJQANCHMSA-N 410.518 3.056 0 40 HGAB C[C@](O)(CNC(=O)Cn1c(=O)oc2ccccc21)c1ccc(-c2ccccc2)cc1 77184194 ZYSYCMIKIWCORY-DEOSSOPVSA-N 402.450 3.285 0 40 HGAB COC(=O)[C@H](CNc1ccc(F)cc1S(=O)(=O)C(F)(F)F)c1ccccc1 78903468 FGOFAQQMSAGIPK-CYBMUJFWSA-N 405.369 3.488 0 40 HGAB C[C@H]1CN(S(=O)(=O)c2cccc(Br)c2)CCN1C(=O)OC(C)(C)C 79440453 GIPVKJGQWJCVQB-LBPRGKRZSA-N 419.341 3.079 0 40 HGAB C[C@@H](NCc1ccccc1-n1ccnc1)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 96013571 CZBNFNZDZMBRRF-XXBNENTESA-N 420.513 3.388 0 40 HGAB COCCN(C)C[C@H]1CO[C@]2(CCCN(C(=O)c3ccc(-n4cccc4)cc3)C2)C1 96228484 MMBOYRGCCJLLQY-GBXCKJPGSA-N 411.546 3.067 0 40 HGAB COc1ccccc1OCCN1C[C@@H](C(=O)Nc2cccc3c2ccn3C)CC1=O 96232753 PAXFKYFWVAHARK-INIZCTEOSA-N 407.470 3.053 0 40 HGAB Cc1ccc(N2C(=O)C[C@H](N3CCC(C(=O)Nc4ccccc4)CC3)C2=O)c(C)c1 101490899 FNWISYOESJHHKU-NRFANRHFSA-N 405.498 3.286 0 40 HGAB COc1cccc(N2C(=O)C[C@@H](Sc3nnc4sc5ccccc5n34)C2=O)c1 104280508 TWUKCXHFLSZDSO-OAHLLOKOSA-N 410.480 3.377 0 40 HGAB COc1ccc(NC(=O)c2ccccc2N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c(OC)c1 165723992 LMFCXAMKHILAID-MFRYECHYSA-N 418.449 3.268 0 40 HGAB CC(C)Oc1cccc(N(CC(=O)N[C@@H]2CCCc3ccccc32)S(C)(=O)=O)c1 220112158 SOXFLAAGZSHIJY-OAQYLSRUSA-N 416.543 3.434 0 40 HGAB COc1ccc(C)cc1N([C@H](C)C(=O)NCCCc1cccc(C)c1)S(C)(=O)=O 220344057 ADMGAVRTANYRIO-GOSISDBHSA-N 418.559 3.216 0 40 HGAB CCOC(=O)c1ccc(NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2Cl)cc1 222508974 HMNFANAMHFBQLE-UHFFFAOYSA-N 410.879 3.165 0 40 HGAB COc1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2OC)cc1C 222765446 IKSBFCWXXSJJLH-UHFFFAOYSA-N 404.488 3.049 0 40 HGAB CC[C@@H](NC(=O)CN(c1cccc(OC)c1)S(C)(=O)=O)c1ccc(OC)c(C)c1 223246424 SYJCLGDOJNOWSR-LJQANCHMSA-N 420.531 3.046 0 40 HGAB CCC(=O)N1CCc2cc(S(=O)(=O)NCc3ccc(OC(C)C)cc3)ccc21 223312037 SSPOCFNKFHNFKI-UHFFFAOYSA-N 402.516 3.251 0 40 HGAB CCCC(=O)N(Cc1ccccc1)[C@@H](C(=O)NCCN1CCOCC1)c1ccccc1 223345987 HGQSBDLTTQEWNE-XMMPIXPASA-N 423.557 3.005 0 40 HGAB COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N3CCCCC3)cc2C)cc1 224221167 HRJLQTNFWCLQQW-UHFFFAOYSA-N 402.516 3.455 0 40 HGAB CCN(Cc1ccc(C(=O)N2CCOCC2)cc1)S(=O)(=O)c1ccc(Cl)cc1 224460358 YNBHEEKQYKDYHI-UHFFFAOYSA-N 422.934 3.023 0 40 HGAB CC[C@@H](NC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1)c1ccc(OC)c(C)c1 225246349 GYCLJYDILQQMIF-LJQANCHMSA-N 404.532 3.200 0 40 HGAB COC(=O)c1cccc(NC(=S)NCc2cc(OC)c(OC)c(OC)c2)c1C 225573300 SQXFNPHPVQFUAL-UHFFFAOYSA-N 404.488 3.294 0 40 HGAB CN1C[C@@H](C(=O)Nc2cccc(F)c2)C[C@H]1C1CCN(C(=O)c2cccnc2)CC1 248113163 IBLPGNRRSLZDQO-RXVVDRJESA-N 410.493 3.032 0 40 HGAB O=C(NC[C@@](O)(c1ccsc1)c1ccco1)C(=O)Nc1ccc(F)c(Cl)c1 253471057 AXJUQYWFOSKNGS-GOSISDBHSA-N 408.838 3.124 0 40 HGAB CCc1noc(C)c1C(=O)N1CCC(COc2cccc(Cl)c2)(CC(N)=O)CC1 257237772 HICGEUWWGQARSG-UHFFFAOYSA-N 419.909 3.376 0 40 HGAB CC(=O)N[C@H](C(=O)N1CC[C@H]2O[C@H]3c4ccccc4OC(C)(C)[C@@H]3C[C@H]2C1)C(C)C 257276389 NTMNLSARQLHVRQ-DUYZSDFPSA-N 414.546 3.313 0 40 HGAB Cc1nccn1[C@@H]1CCCC[C@@H](N(C)C(=O)c2ccc(CN3CCCC3)cc2)[C@H]1O 257277101 NWJRBKGUWDSKCA-DNVJHFABSA-N 410.562 3.404 0 40 HGAB COc1ncccc1CN1C[C@H]2[C@H](C1)n1cccc1C(=O)N2Cc1ccc(F)cc1 306133410 MKKOHVIZIFSATR-SFTDATJTSA-N 406.461 3.112 0 40 HGAB O=C(Nc1ccccc1)c1nnc2n1C[C@H]1CN(Cc3ccc(Cl)cc3)C[C@H]1C2 306136572 PXHLWRKVAIHQRS-IAGOWNOFSA-N 407.905 3.488 0 40 HGAB O=C(C1CN(c2cc(-c3ccccc3)ncn2)C1)N1CCN(c2ccc(F)cc2)CC1 390827446 HCVZQUMOHPQTJI-UHFFFAOYSA-N 417.488 3.068 0 40 HGAB CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)cc1 408593635 MWKVPFTVCIMHHY-JTQLQIEISA-N 403.287 3.308 0 40 HGAB O=C(COC(=O)[C@H]1CC(=O)N(C2CCCCC2)C1)Nc1ccc(Br)cc1 408651362 DGTRDVHPFWGZCA-ZDUSSCGKSA-N 423.307 3.112 0 40 HGAB CCC(=O)Nc1ccc(S(=O)(=O)NCCc2c[nH]c3ccc(OC)cc23)cc1 673696825 CUDACYWRHSKELF-UHFFFAOYSA-N 401.488 3.046 0 40 HGAB O=C(CCc1ccccc1)N[C@H]1CCC12CCN(C(=O)c1cnn3ccccc13)CC2 1565554802 ZZWHSBVPGLPGJV-QFIPXVFZSA-N 416.525 3.468 0 40 HGAB CS(=O)(=O)c1ccc(CCC(=O)NC[C@@H](O)c2ccc(-c3ccco3)s2)cc1 1888972902 LGZNZNSJENWRCZ-MRXNPFEDSA-N 419.524 3.194 0 40 HGAB CO[C@@H]1CCCN2C(=O)c3cccc(c3)OCCN(C3CCOCC3)CCCC[C@H]12 2037981161 XIDYEYAWCNRYMB-DHIUTWEWSA-N 416.562 3.350 0 40 HGAB O=C(CCCc1nc2ccccc2c(=O)[nH]1)Nc1nc2cc3c(cc2s1)OCCO3 11751454 IBYYCJTXUZFLEK-UHFFFAOYSA-N 422.466 3.265 0 40 HGAB COc1ccc(Cl)cc1N(CC(=O)NCc1ccccc1Cl)S(C)(=O)=O 628924 VTDKXUAFBZBHSI-UHFFFAOYSA-N 417.314 3.084 0 40 HGAB CCCCn1c(N)c(N(CC)Cc2cc3ccc(C)cc3nc2Cl)c(=O)[nH]c1=O 21387520 AQLLXCSWRBWSGC-UHFFFAOYSA-N 415.925 3.455 0 40 HGAB C[C@]1(CCc2ccccc2)NC(=O)N(CC(=O)Nc2ccnn2C2CCCCC2)C1=O 32722116 QZVZOWGKQNWVPO-HSZRJFAPSA-N 423.517 3.270 0 40 HGAB CC(C)OC(=O)C[C@@H](NC(=O)C1CCN(C(=O)c2ccco2)CC1)c1ccccc1 32820981 WTDOLYSGHHOQII-LJQANCHMSA-N 412.486 3.331 0 40 HGAB Cc1ccc(NC(=O)COc2ccc(N3C[C@@H](C(=O)NCC(C)C)CC3=O)cc2)cc1 6030008 JVLZELUVBNBVHB-SFHVURJKSA-N 423.513 3.138 0 40 HGAB CCCCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(OC)c(Cl)c2)C1 6050953 ADKJSROQNAUVOJ-AWEZNQCLSA-N 402.944 3.056 0 40 HGAB CSc1nnc(C)n1NC(=S)NC(=O)c1ccc(-c2ccc(Cl)cc2)o1 6861492 KFXFXCISNZRZOQ-UHFFFAOYSA-N 407.908 3.480 0 40 HGAB Cc1ccc(C)c(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)c1 7608203 KNJHHTLDHSGKIM-UHFFFAOYSA-N 408.907 3.230 0 40 HGAB CCCOc1ccc(C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)cc1OC 7988965 VBASYQKAZWVUAJ-UHFFFAOYSA-N 406.504 3.295 0 40 HGAB COc1ccc(NC(=O)COC(=O)CCCC(=O)Nc2cccc(C(C)=O)c2)cc1 8417019 DTRMIVWPXOSVMQ-UHFFFAOYSA-N 412.442 3.189 0 40 HGAB O=C(O)COc1ccc(/C=C2\SC(=O)N(Cc3cccc(C(=O)O)c3)C2=O)cc1 12136849 JXHQMXXGUGHBFK-SXGWCWSVSA-N 413.407 3.085 0 40 HGAB O=C(c1nc(-c2ccccn2)no1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 12324181 HHPWFKYZXBGETG-UHFFFAOYSA-N 404.257 3.401 0 40 HGAB Cc1ccc([C@@H](C)NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc1 20455035 LCMGQTBYTPGSDV-OAHLLOKOSA-N 422.934 3.160 0 40 HGAB Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3Cl)cc2)n1 675876 UEZLDYLKMCHPTP-UHFFFAOYSA-N 402.863 3.492 0 40 HGAB CCOc1ccc2nc(Nc3nc(CSc4ncccn4)cc(=O)[nH]3)nc(C)c2c1 9939095 NRKYGBZXTLILKA-UHFFFAOYSA-N 421.486 3.246 0 40 HGAB COC(=O)c1cc(C(=O)OC)cc(-c2ccc(CNC[C@H](O)c3ccccc3)o2)c1 22108606 NZWJRPYBXMSQOQ-FQEVSTJZSA-N 409.438 3.343 0 40 HGAB CC(C)(C)OC(=O)[C@@H]1C(=O)C[C@@](C)(O)[C@H](C(=O)OC(C)(C)C)[C@H]1c1cccc(O)c1 101998756 AGQCMGOCQVNZSM-DDOIHHOZSA-N 420.502 3.115 0 40 HGAB COc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)Nc3ccc(O)cc3)CC2)cc1 101504113 XJRRXBDMXXVXBX-IYBDPMFKSA-N 418.515 3.124 0 40 HGAB Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)NC[C@@H]3COCCO3)cc12 54617485 AQQDITBNFBPLLY-CQSZACIVSA-N 405.907 3.253 0 40 HGAB Cc1ccccc1C(=O)/C=c1/s/c(=C/c2cc(Br)cs2)c(=O)n1C 105632562 DQQWYWZSZJJUJC-GONBZBRSSA-N 420.353 3.071 0 40 HGAB C[C@H](NS(=O)(=O)c1ccc(NC(=O)COCC2CC2)cc1)[C@@H]1C[C@H]2CC[C@H]1C2 105654452 HOMOCRDMARHTQH-VERUCKTNSA-N 406.548 3.155 0 40 HGAB O=C(Nc1ccccc1C(=O)OCc1cc(=O)n2ccsc2n1)c1cccs1 21632731 ZKXLBTUXNHCTSY-UHFFFAOYSA-N 411.464 3.427 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)OCc1ccc(Cl)cc1 3229281 ROITYTDLXKXNSI-UHFFFAOYSA-N 409.891 3.026 0 40 HGAB COc1ccc(NC(=O)C2CCC(N3C(=O)[C@H]4[C@@H]5C=C[C@@H]([C@H]6C[C@H]56)[C@H]4C3=O)CC2)cc1 102531044 WGQUNETUWVJFID-FGZJJTFPSA-N 420.509 3.246 0 40 HGAB Cc1cccc(NS(=O)(=O)c2cccc(C(=O)N3CCO[C@@H]4CCC[C@@H]43)c2)c1 56193073 OZHCVUYSFUJHMI-VQTJNVASSA-N 400.500 3.189 0 40 HGAB C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)Nc1ccc(N2CCCC2=O)c(OC)c1 26688928 OLEWXMCVPIQGCS-OAHLLOKOSA-N 405.454 3.276 0 40 HGAB CC(=O)Nc1ccc(NC(=O)Cn2c(Nc3ccc(F)c(C)c3)nc(C)cc2=O)cc1 57507847 ICCFUKVQLSUORG-UHFFFAOYSA-N 423.448 3.340 0 40 HGAB CCOc1ccc(NC(=O)Cn2c(=O)n(-c3ccccc3)c(=O)c3ccccc32)cc1 10338767 IXIVLRLFQPMZQW-UHFFFAOYSA-N 415.449 3.190 0 40 HGAB CCOc1ccc(C(=O)N2CCC(NS(=O)(=O)c3ccccc3Cl)CC2)cc1 10751714 IXXFJRZMYMFHNW-UHFFFAOYSA-N 422.934 3.322 0 40 HGAB CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)Nc1nccn1CC(C)C)C2=O 58141503 ZUMNITRKPFZZDW-UHFFFAOYSA-N 417.554 3.395 0 40 HGAB O=C(NC(=S)Nc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)C1CCC1 2136351 LFWRRIFFUNFRTE-UHFFFAOYSA-N 415.540 3.051 0 40 HGAB COCCn1c(SCC(=O)Nc2ccc(C)c(F)c2)nc2ccccc2c1=O 3347087 BRIYAHLCGXPDPQ-UHFFFAOYSA-N 401.463 3.221 0 40 HGAB CNC(=O)NC(=O)[C@@H](C)N1CCN(Cc2ccc(-c3ccccc3Cl)s2)CC1 27903749 HZXIDJPSKBDFOC-CQSZACIVSA-N 420.966 3.030 0 40 HGAB CCCCNC(=O)c1c(N)n(Cc2ccc3c(c2)OCO3)c2nc3ccccc3nc12 2291000 ZFBNEONZIBBYDW-UHFFFAOYSA-N 417.469 3.474 0 40 HGAB COC(=O)c1c(NC(=O)CN(C)Cc2ccccc2OC)sc2c1CCCC2 12787001 LWQBBSDMXOLWAB-UHFFFAOYSA-N 402.516 3.493 0 40 HGAB CCC[C@@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 12898278 SSDRPOPFYOHBOO-CYBMUJFWSA-N 406.470 3.411 0 40 HGAB C[C@@]12CCC(=O)N1[C@H](C(=O)Nc1nnc(SCc3ccccc3F)s1)CS2 12922891 SYDZQFBYAXVHLX-YVEFUNNKSA-N 424.548 3.362 0 40 HGAB COc1ccc(N2C[C@H](c3nc4ccccc4n3CC(=O)NC(C)C)CC2=O)cc1 16902448 YUPULSZPCXBQNE-MRXNPFEDSA-N 406.486 3.090 0 40 HGAB Nc1c(C(=O)NCc2ccccc2Cl)nnn1-c1cccc(Br)c1 13688874 RGUOBFHKUFHHNE-UHFFFAOYSA-N 406.671 3.195 0 40 HGAB O=C(COc1ccc2nc3n(c(=O)c2c1)CCC3)Nc1cccc(Br)c1 13689096 NTXQWVRIGOUUOU-UHFFFAOYSA-N 414.259 3.123 0 40 HGAB CC(C)(C)OC(=O)N1CCC(NS(=O)(=O)c2cccc(Br)c2)CC1 49997343 SBWYSHUQLRFTDA-UHFFFAOYSA-N 419.341 3.127 0 40 HGAB CCCc1nnc(NC(=O)CCC(=O)N2CCN(c3cccc(Cl)c3)CC2)s1 5219016 NOAOLBBMUWXDOY-UHFFFAOYSA-N 421.954 3.212 0 40 HGAB COc1ccc(C2=NO[C@]3(CC(=O)N(c4cccc(Cl)c4)C3=O)C2)cc1OC 5323655 UFPBWLLQBLWJDT-FQEVSTJZSA-N 400.818 3.184 0 40 HGAB COc1cc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2C[C@H]2CCCO2)ccc1O 5342755 LBNGANKQKIIDBA-JLCFBVMHSA-N 421.453 3.221 0 40 HGAB O=c1c2cc(Br)ccc2ncn1C[C@@H](O)COc1ccc(Cl)cc1 14183555 FQZDRXUYQBSMQI-CYBMUJFWSA-N 409.667 3.252 0 40 HGAB Cc1ccc(NC(=O)Cn2c(C[C@H]3CCS(=O)(=O)C3)nc3ccccc32)cc1C 6590117 PFBNKNVWMKYMQF-QGZVFWFLSA-N 411.527 3.269 0 40 HGAB O=C(CCCN1C(=O)c2ccccc2C1=O)NCCc1ccc(OC(F)F)cc1 6551599 CZKMNLDLHBWRAC-UHFFFAOYSA-N 402.397 3.023 0 40 HGAB CCCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C)c2ccc(-n3ccnc3)cc2)c1 6647927 ZDQCSSWZOBKYNC-INIZCTEOSA-N 412.515 3.052 0 40 HGAB CC(=O)Nc1ccc(S(=O)(=O)Nc2nccc(/C=C/c3cccs3)n2)cc1 4741338 IHGNBENMSCYLTO-QPJJXVBHSA-N 400.485 3.468 0 40 HGAB COC[C@H](C)n1c(SCC(=O)N[C@H]2CCCC[C@@H]2C)nc2ccccc2c1=O 5786625 CJKNTCGCIDLXNM-ZOBUZTSGSA-N 403.548 3.391 0 40 HGAB CCc1ccc(S(=O)(=O)/C(=C/Nc2ccc(OC)c(OC)c2)C(=O)OC)cc1 67340467 BAPCKMHZGQUILD-CPNJWEJPSA-N 405.472 3.166 0 40 HGAB CCCn1c(=O)n(CCC(=O)N2CCc3cc(OC)c(OC)cc3C2)c2ccccc21 18230207 SIBXXVRHPKCFOG-UHFFFAOYSA-N 423.513 3.205 0 40 HGAB COc1cccc(/C=C2\SC(=O)N(CC(=O)N3CCCC[C@@H]3C)C2=O)c1OC 409216055 HOGOYOWMRWZPSQ-RERGGYADSA-N 404.488 3.141 0 40 HGAB COc1ccccc1C(=O)NCC(=O)N1CCC(c2nc3ccccc3s2)CC1 8086425 KJSJHSJFAMSNII-UHFFFAOYSA-N 409.511 3.441 0 40 HGAB CCOc1c(Br)cc(C(=O)Nc2ccc(C(=O)NC)cc2)cc1OC 8033779 LSNMTYNOXFIJGL-UHFFFAOYSA-N 407.264 3.468 0 40 HGAB O=C(Nc1nc2ccccc2[nH]1)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 8992400 APUBEVSXSUKGEQ-ZDUSSCGKSA-N 418.906 3.256 0 40 HGAB CCN1CCc2c([nH]c3ccccc23)[C@H]1c1c(O)nc(O)n(-c2ccc(F)cc2)c1=O 9013453 RBUQPRQQJVEJKH-HXUWFJFHSA-N 420.444 3.232 0 40 HGAB biogenic CCn1c(NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)nc2ccccc21 9378416 LDBMSYPQIKHJKM-UHFFFAOYSA-N 412.515 3.096 0 40 HGAB COc1ccc([C@H](C)NC(=O)CCCN(c2ccccc2C)S(C)(=O)=O)cc1 113966950 LAEHDEMXQFRKEK-KRWDZBQOSA-N 404.532 3.427 0 40 HGAB O=C(c1ccc2c(c1)OCCO2)C1CCN(C(=O)CCc2nc3ccccc3[nH]2)CC1 9902990 BGTWDMQLYRAVBE-UHFFFAOYSA-N 419.481 3.388 0 40 HGAB CC(=O)N1CCC(CC(=O)NCCC2=CCCCC2)(N2Cc3ccccc3C2=O)CC1 1548347897 CZLCELLTUGFATM-UHFFFAOYSA-N 423.557 3.420 0 40 HGAB CC(C)OC(=O)c1ccc(N2C[C@H](C(=O)O[C@@H](C)C(=O)c3ccccc3)CC2=O)cc1 408636641 BLALWTPMEMMWQG-QFBILLFUSA-N 423.465 3.419 0 40 HGAB C[C@@H](CNC(=O)C(C)(C)c1ccc2c(c1)OCCO2)N1CCc2sccc2C1 501845541 KTUJIFUZRSOKRM-HNNXBMFYSA-N 400.544 3.360 0 40 HGAB CCOc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCC[C@H]3C)C2=O)ccc1O 409201483 NMWBMYOANVKOJX-GPLLRDDGSA-N 404.488 3.228 0 40 HGAB O=C(Cc1noc2ccccc12)N1CCC(C(=O)N2CCc3ccccc3C2)CC1 31190608 XBRLPNLMZQOBJK-UHFFFAOYSA-N 403.482 3.194 0 40 HGAB COc1ccc([C@@H]2[C@H](C(=O)Nc3ccccc3C)[C@H](C)Nc3ncnn32)cc1OC 36701575 XUFOALZMZUVPPH-VHKYSDTDSA-N 407.474 3.262 0 40 HGAB Cc1ccc2c(c1)N(Cc1ccccc1Cl)N=C(C(=O)N1CCCC1)S2(=O)=O 49402670 BJCXYULDRGRXDN-UHFFFAOYSA-N 417.918 3.378 0 40 HGAB COc1ccc(S(=O)(=O)Nc2nnc(-c3ccc(C)cc3)s2)cc1NC(C)=O 223567384 AVGZCMARQLVUGS-UHFFFAOYSA-N 418.500 3.281 0 40 HGAB O=C(c1cnn(-c2ccc(Br)cc2F)c1-n1cccc1)N1CCOCC1 49550682 WOQUNKZOHRLUML-UHFFFAOYSA-N 419.254 3.037 0 40 HGAB Cc1ccc(=O)n(CC(=O)N2CCC[C@H]2c2ncc(Cc3cccc(Cl)c3)o2)n1 257246447 IUEQMHKQDLIFPC-SFHVURJKSA-N 412.877 3.148 0 40 HGAB C[C@@H](NC(=O)C(=O)NC[C@](O)(c1ccsc1)c1cccs1)c1ccccc1 253399765 JXFZUTQDKVMCBG-VLIAUNLRSA-N 400.525 3.039 0 40 HGAB Cc1ccc(N([C@H](C)C(=O)NCCOc2ccc(Cl)cc2)S(C)(=O)=O)cc1C 260796171 YIBJDYZCXOMAFF-MRXNPFEDSA-N 424.950 3.307 0 40 HGAB CN1CCN(C[C@H](NC(=O)NC2CCC3(CCOCC3)CC2)c2ccccc2)CC1 1116233113 PFTOQZLASIEBPQ-QFIPXVFZSA-N 414.594 3.014 0 40 HGAB O=C(Nc1ccc(N2CCCCC2=O)cc1)c1ccccc1S(=O)(=O)C(F)F 96098380 PFGQXKFAZOWANJ-UHFFFAOYSA-N 408.426 3.452 0 40 HGAB CC(C)CN1c2cccnc2-n2cccc2[C@]12CCN(C(=O)C1(F)CCOCC1)C2 585106843 JNACRHPUXJLIGQ-HSZRJFAPSA-N 412.509 3.295 0 40 HGAB Cc1cccnc1Nc1cnc(CC2CCN(C(=O)/C=C/c3cccnc3)CC2)cn1 585291658 AWLNRJLAOJJXLZ-VOTSOKGWSA-N 414.513 3.813 0 40 HGAB CC[C@H]1CN(S(=O)(=O)c2c(C)noc2C)CC[C@H]1CC(=O)Nc1ccccc1 5415221 UUYQUKJKVDHMLN-IRXDYDNUSA-N 405.520 3.357 0 40 HGAB biogenic,in-vitro Cc1cc(-c2snnc2[C@H]2CCCN(C(=O)c3cc4nc(C)cc(C)n4n3)C2)on1 13225447 VWCOYMMFCLGJEH-AWEZNQCLSA-N 423.502 3.181 0 40 HGAB Cc1ccc(NC(=O)CN2CCN(C(=O)CSCc3ccc(F)cc3)CC2)cc1 14183031 NOQVICDKOHGHPE-UHFFFAOYSA-N 415.534 3.150 0 40 HGAB Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3ccc(Br)s3)C2=O)c1 16349669 KGNBWTCOAOWRGU-MDWZMJQESA-N 420.288 3.350 0 40 HGAB CCNC(=O)c1ccc(OC)c(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)c1 16681734 UWPJPFIJNKCVIB-UHFFFAOYSA-N 416.543 3.088 0 40 HGAB O=C(C[C@@H]1NC(=O)N(C2CCCCC2)C1=O)Nc1nc2c(s1)CCCCCC2 19014963 WPGJQGSXVSAMTC-HNNXBMFYSA-N 404.536 3.384 0 40 HGAB Cc1c(CN2CCC[C@](C[C@@H]3CC(c4ccc(F)cc4)=NO3)(C(=O)O)C2)cnn1C 19553596 ZFBVVSZQJNIHHX-SIKLNZKXSA-N 414.481 3.118 0 40 HGAB CN(C)c1ccc(C(=O)N[C@H](Cc2cc(=O)[nH]c(C3CC3)n2)c2ccccc2)cc1 19584809 NDPIXBSALSMEGO-OAQYLSRUSA-N 402.498 3.427 0 40 HGAB CCOc1ccc([C@@H](O)CN2CCC(NC(C)=O)(c3ccccc3F)CC2)cc1 12188359 BHJHNOONGXMODX-QFIPXVFZSA-N 400.494 3.385 0 40 HGAB COc1cccc(CN2CCC(O)(Cn3cnc4sc(C)c(C)c4c3=O)CC2)c1 19561564 UUBBTDIZURGHHJ-UHFFFAOYSA-N 413.543 3.111 0 40 HGAB CN(C)C(=O)[C@H]1CN(Cc2cc(Cl)c3c(c2)OCCCO3)c2ccccc2O1 29146577 AERAMPDOICPTBT-LJQANCHMSA-N 402.878 3.357 0 40 HGAB CSc1ncc(Br)c(N2CCC(Oc3nc(C)cnc3C)CC2)n1 2087136709 KYZFIXVAQOMAHM-UHFFFAOYSA-N 410.341 3.416 0 40 HGAB C[C@H]1Cc2ccccc2N1C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 1467694 DHMQQUVGZPYAOA-LIRRHRJNSA-N 404.919 3.471 0 40 HGAB COC(=O)C1CCN([C@@H](c2ccc(F)c(F)c2)c2sc3nc(C)nn3c2O)CC1 22626349 JMODRUYKZNTBLX-HNNXBMFYSA-N 422.457 3.057 0 40 HGAB Cc1cc(C)n([C@H](CNC(=O)C(=O)Nc2ccc(C(F)(F)F)cc2)c2ccco2)n1 575614543 WHMWFOWVXFBXLB-MRXNPFEDSA-N 420.391 3.456 0 40 HGAB Cc1ccc(NC(=O)c2ccc3ccccc3c2)cc1S(=O)(=O)N1CCOCC1 6286131 NOQLTQNPPDSDKY-UHFFFAOYSA-N 410.495 3.421 0 40 HGAB CN1C(=O)c2ccc(NC(=O)COc3cccc(Oc4ccccn4)c3)cc2C1=O 24822398 PQCFJKHMTILRJC-UHFFFAOYSA-N 403.394 3.117 0 40 HGAB Cc1ccc(N2C(=O)[C@@H]3[C@H]4c5ccccc5C=NN4[C@H](C(=O)C(C)(C)C)[C@@H]3C2=O)cc1 103532226 FFSUGNKQQRZUEM-BQJUDKOJSA-N 415.493 3.489 0 40 HGAB Cc1ccc(C(=O)N(C)Cc2ccccc2N2CCCC2)cc1NS(C)(=O)=O 40087861 JLZLURTXSMXHAA-UHFFFAOYSA-N 401.532 3.239 0 40 HGAB O=C(CS(=O)(=O)c1cccc(Br)c1)Nc1cccc2cccnc12 40144919 NPSKDZKFQYRRDV-UHFFFAOYSA-N 405.273 3.410 0 40 HGAB COCCN1C(=O)c2ccccc2[C@@H](C(=O)NCc2cccnc2)C12CCCCC2 20746113 NXBYREORGCMEPP-NRFANRHFSA-N 407.514 3.287 0 40 HGAB CC(=O)Oc1cc(OC(C)=O)c2c(=O)c(-c3ccc4c(c3)OCCO4)c(C)oc2c1 630428 BCSGTXGNFIJDBE-UHFFFAOYSA-N 410.378 3.390 0 40 HGAB biogenic CC(=O)Oc1cc(OC(C)=O)c2c(=O)c(-c3ccc4c(c3)OCCCO4)coc2c1 630510 ZCLDLAOAWKLFID-UHFFFAOYSA-N 410.378 3.472 0 40 HGAB biogenic CCOC(=O)[C@H](C)Oc1cccc2c(=O)n(CC(=O)Nc3ccccc3C)ccc12 2712267 SAINBZMZDLUNKP-INIZCTEOSA-N 408.454 3.279 0 40 HGAB O=C(COC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12)NC[C@H]1CCCO1 3241879 YFARIZPLDNVMNO-QGZVFWFLSA-N 408.429 3.493 0 40 HGAB CC(C)[C@@H](C(=O)OCC(=O)c1ccc(Cl)s1)N1C(=O)c2ccccc2C1=O 3314719 WRKVOSRFNMQSRR-INIZCTEOSA-N 405.859 3.448 0 40 HGAB COC[C@@H](C)n1c(C)cc(C(=O)COC(=O)c2ccc3c(c2)NC(=O)CS3)c1C 3362249 SUFFQJSFEGGTBK-CYBMUJFWSA-N 416.499 3.396 0 40 HGAB COc1ccc(CNC(=O)CSc2nc3ccccc3c(=O)n2CC(C)C)cc1 3493913 OOSOOONEOHAFBL-UHFFFAOYSA-N 411.527 3.470 0 40 HGAB CCCC(=O)Nc1nnc(SCC(=O)Nc2ccc(C(=O)OCC)cc2)s1 4077861 GGZXXWCMSATARK-UHFFFAOYSA-N 408.505 3.184 0 40 HGAB CCOC(=O)C1=C(CSc2nccn2C)NC(=O)N[C@@H]1c1ccccc1Cl 4911418 NCRUXIPGMAIZLT-OAHLLOKOSA-N 406.895 3.037 0 40 HGAB Cc1ccc(N2C(=O)[C@H]3N=NN(CC(=O)Nc4ccc(C(C)C)cc4)[C@H]3C2=O)cc1 4969718 AVYDVNCKZDPXGU-VQTJNVASSA-N 405.458 3.050 0 40 HGAB O=C(COC(=O)c1ccc2ccccc2n1)NC(=O)NC12CC3CC(CC(C3)C1)C2 5079602 ADXGDVXEYIWBSP-UHFFFAOYSA-N 407.470 3.186 0 40 HGAB COc1ccc(OC)c(S(=O)(=O)Nc2ccc3c(c2)CCCN3C(=O)C(C)C)c1 5099646 ONDSOSOJVKYTPF-UHFFFAOYSA-N 418.515 3.440 0 40 HGAB CCS(=O)(=O)c1ccc(C(=O)Nc2nc3cc4c(cc3s2)OCCO4)cc1 5241877 WXAUVDJLIQNGTK-UHFFFAOYSA-N 404.469 3.113 0 40 HGAB C[C@H]1CCCC[C@@H]1NC(=O)CSc1ccc(S(=O)(=O)N2CCCCC2)cn1 5634770 ZSCJVJYEDSISEC-RDJZCZTQSA-N 411.593 3.043 0 40 HGAB C[C@@H]1CCCN(S(=O)(=O)c2csc(C(=O)OCC(=O)c3ccccc3)c2)C1 6680868 CSROJIUMIJLYFS-CQSZACIVSA-N 407.513 3.208 0 40 HGAB Cc1cc(C)c(OCC(=O)N(Cc2cccc(F)c2)[C@@H]2CCS(=O)(=O)C2)c(C)c1 6810976 YIWBGIMTUYOTQM-HXUWFJFHSA-N 419.518 3.346 0 40 HGAB COc1ccc(C)cc1NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 7669764 RXNMGIFJFWRUEU-QGZVFWFLSA-N 408.907 3.449 0 40 HGAB CCCCc1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 7842615 HLYJAAHBUSWEQB-UHFFFAOYSA-N 402.516 3.302 0 40 HGAB COc1ccc(Cl)cc1N([C@@H](C)C(=O)N1CCc2ccccc2C1)S(C)(=O)=O 7872157 ONFWGJLYDIUWOG-AWEZNQCLSA-N 422.934 3.088 0 40 HGAB CCc1ccccc1NC(=O)CCC(=O)OCC(=O)Nc1cc(OC)ccc1OC 7939828 UUARVWDQTNLJEF-UHFFFAOYSA-N 414.458 3.167 0 40 HGAB CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)OC/C=C/c2ccccc2)c1 7990262 XGWOPRYWTQVYOD-DHZHZOJOSA-N 414.527 3.407 0 40 HGAB COc1cc(C(=S)N2CCOCC2)ccc1OCC(=O)Nc1ccccc1Cl 8113255 AJUJKDGHLIYBMI-UHFFFAOYSA-N 420.918 3.374 0 40 HGAB CN(C(=O)CSc1ccc(S(=O)(=O)N2CCCCC2)cn1)c1ccccc1 8192850 HUYFHMXEOUGIFW-UHFFFAOYSA-N 405.545 3.011 0 40 HGAB Cc1ccccc1C(=O)NCc1nn(CC(=O)N[C@@H](C)c2ccccc2)c(=S)n1C 8570970 YTUNHVKKBMHSER-INIZCTEOSA-N 423.542 3.067 0 40 HGAB Cc1cc(S(=O)(=O)N(C)C)cc(NCC(=O)Nc2ccc(Cl)cc2F)c1C 9154457 SRZVKWPRKNBHJP-UHFFFAOYSA-N 413.902 3.397 0 40 HGAB O=C(CS(=O)(=O)c1ccccc1)Nc1nnc(CSc2ccccc2)s1 9698670 XRUMYYMYZMOTOK-UHFFFAOYSA-N 405.526 3.243 0 40 HGAB COc1cc(Cl)c(NC(=O)Cc2c(C)nc3nc(SC)nn3c2C)cc1OC 11067530 QZDOMAYQASDRHU-UHFFFAOYSA-N 421.910 3.315 0 40 HGAB C[C@H]1CCN(C(=O)COC(=O)c2cccc(S(C)(=O)=O)c2)c2ccccc2S1 11836271 OXYQPVXYMMUGMR-AWEZNQCLSA-N 419.524 3.164 0 40 HGAB CC(C)[C@H](NC(=O)C1CCCCC1)C(=O)O[C@H](C)C(=O)Nc1ccc(Cl)cn1 12016802 LUROFNLVLMJNST-DYVFJYSZSA-N 409.914 3.326 0 40 HGAB COc1cc(OC)c(OC)cc1CN1CCC2(CC1)Nc1ccccc1C1=NCCN12 12086108 VYDUMCSMTSWSOR-UHFFFAOYSA-N 422.529 3.192 0 40 HGAB CCCCCn1c(=O)c2c(nc3n2C[C@@H](C)CN3c2ccc(C)c(C)c2)n(C)c1=O 12374052 PATUXCSMZAKWLR-HNNXBMFYSA-N 409.534 3.492 0 40 HGAB COC(=O)C1(NS(=O)(=O)c2ccc(OC)c(Br)c2)CCCCCC1 12772007 CYBFBRNGRHJBEK-UHFFFAOYSA-N 420.325 3.002 0 40 HGAB CC(C)[C@@H](NC(=O)Cc1ccccc1)C(=O)NC[C@@H](c1ccccc1Cl)N(C)C 12774031 NSTCKFKJQWQKPD-RBBKRZOGSA-N 415.965 3.442 0 40 HGAB COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)Nc2cc(Cl)ccc2Cl)c1 12792946 SHZYPPMROULRMW-UHFFFAOYSA-N 418.254 3.367 0 40 HGAB Cc1ccc(CN2C[C@@H](C(=O)NCC(=O)Nc3cccc(Cl)c3C)CC2=O)cc1 12906122 UAJZANQIDNQEDM-KRWDZBQOSA-N 413.905 3.060 0 40 HGAB Cc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]3[C@@H]3CCCN32)cc1 13556370 MQFONYWUEWYXHW-NMLBUPMWSA-N 408.885 3.484 0 40 HGAB Cc1ccc(C)c(NC(=O)CSC2=N[C@H](c3c[nH]c4ccccc34)NC(N)=N2)c1 13579117 ABUJQLJDHRXLOA-LJQANCHMSA-N 406.515 3.429 0 40 HGAB Cc1cc(C(=O)Nc2ccccc2C(=O)N2CCCCC2)ccc1NS(C)(=O)=O 13678183 VQZCFJOBKMRQTF-UHFFFAOYSA-N 415.515 3.245 0 40 HGAB COc1cc2c(cc1NC(=O)C1CCN(S(C)(=O)=O)CC1)oc1ccccc12 14106433 NUDCHOGJSHJTKW-UHFFFAOYSA-N 402.472 3.205 0 40 HGAB CCOC(=O)C1=C(N)Oc2c(c(=O)[nH]c3ccccc23)[C@@H]1c1cccc(OCC)c1 14608295 RNGXJQWOYQGVQB-KRWDZBQOSA-N 406.438 3.185 0 40 HGAB C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)OCCCc2cccnc2)cc1 15566298 BTOPWKZCNAVGGI-QGZVFWFLSA-N 402.516 3.434 0 40 HGAB COc1ccccc1N1C[C@@H](NC(=O)c2ccc(C)c(-n3nc(C)cc3C)c2)CC1=O 19214729 FDVMVWBUIKIFAX-IBGZPJMESA-N 418.497 3.341 0 40 HGAB O=C1NC2(CCN(C(=O)CCn3ccnc3-c3ccccc3)CC2)Nc2ccccc21 19374400 ANNDEJGJTMIBMC-UHFFFAOYSA-N 415.497 3.114 0 40 HGAB CN(C)C(=O)[C@]1(Cc2ccc(-c3ccsc3)cc2)CCN(C(=O)[C@H]2CCCO2)C1 19579858 AIZGLDFWEUUNIH-OFNKIYASSA-N 412.555 3.444 0 40 HGAB CNC(=O)[C@]1(Cc2cccc(-c3ccncc3)c2)CN(C(=O)CC2CCCC2)CCO1 19591809 UYSKEJGBKXRDKS-VWLOTQADSA-N 421.541 3.215 0 40 HGAB Cc1nccn1Cc1cccc(NC(=O)[C@H](c2ccc(F)cc2)N2CCOCC2)c1 19717103 WQDALTKGLZMRCI-QFIPXVFZSA-N 408.477 3.391 0 40 HGAB O=C(Cn1cc(NC(=O)c2ccccn2)cn1)NCC1(c2ccccc2Cl)CC1 19749426 YXJYEAGATHYFAE-UHFFFAOYSA-N 409.877 3.032 0 40 HGAB CCN1CCN([C@@H](c2ccccc2Cl)c2nnnn2Cc2ccc(F)cc2)CC1 20141316 SMERUTNGBARHNP-FQEVSTJZSA-N 414.916 3.241 0 40 HGAB Cc1cccc(N(CC(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)S(C)(=O)=O)c1 22327304 VVULREFPMBKUQN-GOSISDBHSA-N 402.516 3.180 0 40 HGAB Cc1ccc(N(CC(=O)N[C@@H](C)COc2ccccc2C)S(C)(=O)=O)cc1Cl 22337693 MAPGNCFJFVXQFE-INIZCTEOSA-N 424.950 3.307 0 40 HGAB O=C(CN1C(=O)COc2ccc(Cl)cc21)Nc1nnc(Cc2ccccc2)s1 23435790 XMZSYCBTZIYPAX-UHFFFAOYSA-N 414.874 3.146 0 40 HGAB CCOc1ccc(S(=O)(=O)N2CCN(Cc3nc4ccccc4s3)CC2)cc1 24149471 USWKQCXSMWSYNA-UHFFFAOYSA-N 417.556 3.202 0 40 HGAB Cc1nonc1CN1CCN(C(=O)c2oc3ccc(Br)cc3c2C)CC1 27912888 YHJCRXQXXCDOFB-UHFFFAOYSA-N 419.279 3.153 0 40 HGAB Cc1ccc(-c2nc(CN3CCN(S(=O)(=O)c4ccccc4)CC3)co2)c(C)c1 29960488 WVHVVUJCRCBJLY-UHFFFAOYSA-N 411.527 3.465 0 40 HGAB CCOC(=O)c1ccc(NC(=O)c2cccc(NS(C)(=O)=O)c2C)c(Cl)c1 30859002 FRSOKQQHPHREGQ-UHFFFAOYSA-N 410.879 3.449 0 40 HGAB CC(C)NS(=O)(=O)c1cccc(CNC(=O)c2ccc(Br)s2)c1 32796337 SCOPAFBYSPYGNO-UHFFFAOYSA-N 417.350 3.127 0 40 HGAB O=C(CN1CCN(C(=O)C2(c3cccc(Cl)c3)CCCCC2)CC1)N1CCCC1 40051010 USWHXCXMLOOXTR-UHFFFAOYSA-N 417.981 3.309 0 40 HGAB O=C(CSc1nc2ccccc2o1)NCCNC(=O)c1ccc(C(F)(F)F)cc1 40051609 WXJOYYAZKFPTDH-UHFFFAOYSA-N 423.416 3.485 0 40 HGAB CN(C)c1cc(C(=O)N[C@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)ccn1 40121246 DGVUKUKLLALPJK-QGZVFWFLSA-N 420.435 3.260 0 40 HGAB Cc1c(C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)cnn1-c1ccc(F)cc1 45134088 YQBOMGJDRSUBPA-UHFFFAOYSA-N 416.478 3.259 0 40 HGAB O=C(NCCS(=O)(=O)Cc1ccccc1)Nc1nnc(C2CCCCC2)s1 47386141 BHHZTFYITQGIPI-UHFFFAOYSA-N 408.549 3.322 0 40 HGAB Cc1cc(C)n(-c2ccc(CNC(=O)CCN3C(=O)CSc4ccccc43)cn2)n1 48273717 PHAZVFTYRALXBU-UHFFFAOYSA-N 421.526 3.029 0 40 HGAB Cc1cccc(-c2noc(Cn3ncn4nc(-c5ccc(F)cc5)cc4c3=O)n2)c1 49004298 LFTRWCIQHXJCQW-UHFFFAOYSA-N 402.389 3.104 0 40 HGAB COc1ccc(C(=O)N2CCC3(CC2)NC(=O)c2cccc(Cl)c2N3)cc1OC 49410077 GBYGJQHDJSIMCO-UHFFFAOYSA-N 415.877 3.145 0 40 HGAB CC(C)CCn1c(=O)c2sccc2n(CC(=O)N2CCCc3ccccc32)c1=O 57426612 DRRDSWAZRLSMCF-UHFFFAOYSA-N 411.527 3.250 0 40 HGAB Cc1cccc(-c2noc(-c3ccc(=O)n(CC(=O)NCc4ccccc4)c3)n2)c1 67289363 KDZNVYFHFJZSDZ-UHFFFAOYSA-N 400.438 3.190 0 40 HGAB O=C(NCCC(=O)N1CCCN(C(=O)Nc2cccc(Cl)c2)CC1)C1CCCC1 70019003 ACEQIQWVVNFODJ-UHFFFAOYSA-N 420.941 3.103 0 40 HGAB CC[C@@H](C(=O)N1CCC(c2ccc(Nc3ccccn3)cn2)CC1)N1CCOCC1 72374355 XJOZVQFKMMZQTK-NRFANRHFSA-N 409.534 3.037 0 40 HGAB COC(=O)c1ccc(S(=O)(=O)N(Cc2cccs2)Cc2cccn2C)cc1 77200824 LXGYXYKTJSOSMR-UHFFFAOYSA-N 404.513 3.264 0 40 HGAB CC(C)[C@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1Br)C(=O)N(C)C 78413845 QQRVUKUXQDXDAS-HZMBPMFUSA-N 405.720 3.099 0 40 HGAB COC(=O)c1sccc1S(=O)(=O)Nc1cccc(-c2cnc3n2CCC3)c1 90655310 VDWSMYIBMLXBBC-UHFFFAOYSA-N 403.485 3.145 0 40 HGAB CCn1cc(CN2CCC[C@H](c3n[nH]cc3NC(=O)c3ccc(OC)cc3)C2)cn1 96000198 MSLVEJOTUKQLFX-SFHVURJKSA-N 408.506 3.267 0 40 HGAB Cc1ccc(CNC(=O)C2=NO[C@]3(CCCN(C(=O)c4cc(C)oc4C)C3)C2)cc1 96225368 OKPCTWMWEGUUGB-HSZRJFAPSA-N 409.486 3.272 0 40 HGAB O=C(NCCC(=O)N1CCCCC1)c1cc(-c2ccc(Br)cc2)on1 96346524 NXEFDDAFWBGMLG-UHFFFAOYSA-N 406.280 3.237 0 40 HGAB CO[C@H]1CC[C@H](C(=O)N2CCC[C@@H]2c2n[nH]cc2-c2ccnc(N3CCCC3)n2)CC1 100739905 YZOQZTAWFASFFU-FUHIMQAGSA-N 424.549 3.336 0 40 HGAB CSCC[C@@H](C(=O)NCC1(c2ccccc2)CC1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 102786290 OACGUKBLHUNOFF-OTWHNJEPSA-N 414.571 3.131 0 40 HGAB CC(C)Oc1ccc(CNC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)cc1 216465373 NCHSIXJQFXYQRB-UHFFFAOYSA-N 410.923 3.210 0 40 HGAB CC[C@H](NC(=O)[C@@H]1CN(S(=O)(=O)CC)c2ccccc2O1)c1ccc(C)c(C)c1 218794443 HFMDPWRUHLMTDK-RXVVDRJESA-N 416.543 3.488 0 40 HGAB CC[C@H](C(=O)NCCCc1ccc(F)cc1)N(c1ccc(F)cc1)S(C)(=O)=O 219111049 JVQQBYFZUYNXNB-LJQANCHMSA-N 410.486 3.258 0 40 HGAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1cccc(N(C)S(C)(=O)=O)c1 222422640 NVNDMFHMBSTGFM-SFHVURJKSA-N 402.516 3.423 0 40 HGAB S=C1N[C@H](c2ccccn2)[C@H](c2ccc(Cl)s2)N1CCN1CCOCC1 223125881 FYWZDWDQTWFZCR-SJORKVTESA-N 408.980 3.101 0 40 HGAB Cc1cc(NS(=O)(=O)CCOCc2ccccc2)cc2c1N(C)C(=O)C2(C)C 223452395 SPXDAZTTWPRINS-UHFFFAOYSA-N 402.516 3.208 0 40 HGAB Cc1ccccc1OCCNC(=O)CN(c1ccc(C(C)C)cc1)S(C)(=O)=O 223632587 XKEFMPFZQYLORI-UHFFFAOYSA-N 404.532 3.080 0 40 HGAB C[C@H](CNC(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O)c1ccccc1 223661893 KKFXYOZYYOLWDW-CQSZACIVSA-N 414.449 3.391 0 40 HGAB CCc1ccc(OCCNC(=O)CN(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1 223679463 COQHEEFOLUFBFV-UHFFFAOYSA-N 424.950 3.172 0 40 HGAB COc1ccccc1[C@@H](C)NC(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O 225161155 AQOGFAHWWOYVDQ-GFCCVEGCSA-N 414.886 3.131 0 40 HGAB COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)Nc1ccc(Cl)cc1C 225419981 KSKZCICEWMOYKS-UHFFFAOYSA-N 410.923 3.479 0 40 HGAB COC(=O)c1ccc(C)c(NC(=S)NCc2nc(-c3ccc(OC)cc3)no2)c1 225823869 RAIVODTYTOATII-UHFFFAOYSA-N 412.471 3.327 0 40 HGAB COCCOc1ccc(NC(=O)C2(C)COC(c3ccc(Cl)cc3)OC2)cn1 225919298 OVZRCPSTNPLNPM-UHFFFAOYSA-N 406.866 3.451 0 40 HGAB COc1cc(C)nc(NC(=S)NCC2(c3ccc(Cl)cc3)CCOCC2)n1 225996434 UQSDEPGEHXQYKY-UHFFFAOYSA-N 406.939 3.482 0 40 HGAB CO[C@@H]1CCN(CC(=O)Nc2cccc(-c3csc(C)n3)c2)C[C@@]12CCCO2 257199994 ABOHWWWRQNUZOM-CTNGQTDRSA-N 401.532 3.327 0 40 HGAB C[C@@]12C[C@H](c3ccccc3)N(C(=O)CC3(O)CCCCC3)[C@@H]1CCC[C@H](O)[C@@H]2O 257272002 NARVGZXDEYNFBS-NJRJFZHGSA-N 401.547 3.326 0 40 HGAB COc1ccc(-c2cnc3n2C[C@@]2(CCN(Cc4cccnc4OC)C2)OC3)cc1 306123077 ADZJUISSVYPBIX-QHCPKHFHSA-N 406.486 3.137 0 40 HGAB COc1cccc(-c2ccc3nc([C@@H]4CCCN(C(=O)c5ccn(C)n5)C4)nn3c2)c1 306132164 LAPALRREBBFQJX-GOSISDBHSA-N 416.485 3.158 0 40 HGAB CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1 408605691 NGOJLCBMQPJQLY-NSHDSACASA-N 402.394 3.020 0 40 HGAB Cc1nn(-c2ccccc2F)c(C)c1[C@H]1COCCN1C(=O)CCOCC(F)F 558982591 VNEVMPZTEKTZFN-QGZVFWFLSA-N 411.424 3.200 0 40 HGAB O=S1(=O)CC[C@H](N(Cc2ccccc2)S(=O)(=O)c2ccc3ccccc3c2)C1 575421113 IEYJIVGTRCCBCS-FQEVSTJZSA-N 415.536 3.218 0 40 HGAB COc1cc(CN(C)C[C@H](O)Cn2ccc3ccccc32)ccc1OCCN(C)C 585271711 GSWWIYIWQMAOCH-NRFANRHFSA-N 411.546 3.083 0 40 HGAB O=C1NC2(CCCCC2)C(=O)N1Cc1nc(-c2ccc(Br)cc2)no1 679928466 ZVLUOKIXGJURIW-UHFFFAOYSA-N 405.252 3.254 0 40 HGAB N[C@@H](Cc1ccccc1)C[C@H](O)[C](Cc1ccccc1)NC(=O)OCc1cscn1 1560407520 OBDDBSIBQHZBIU-UGKGYDQZSA-N 424.546 3.465 0 40 HGAB Cc1cc(OCC(=O)N2CCC(n3nc(C4CC4)ccc3=O)CC2)ccc1Cl 1775986062 RSKDVVXTOJWBCN-UHFFFAOYSA-N 401.894 3.325 0 40 HGAB CS(=O)(=O)N(CC(=O)Nc1ccc2c(c1)OCO2)c1cc(Cl)ccc1Cl 793300 FSXIWSKRKVNNLO-UHFFFAOYSA-N 417.270 3.127 0 40 HGAB CCCC[C@@H](NC(=O)[C@H](C)Oc1cc(C)cc2oc(=O)c3c(c12)CCC3)C(=O)O 2105368 WTWUMCLAIXHOQK-XJKSGUPXSA-N 401.459 3.117 0 40 HGAB biogenic CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)CNC[C@H]1CCCO1 2636160 HDXHCRZOCKMKHP-OAHLLOKOSA-N 406.479 3.438 0 40 HGAB O=C(Nc1ccc2c(c1)OCCO2)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O 3216744 FZSHPQZMHIJTPQ-UHFFFAOYSA-N 421.430 3.087 0 40 HGAB CC1(C)C(=O)Nc2ccccc2N1C(=O)COC(=O)c1cnc(Cl)c(Cl)c1 3335829 IDTMZLNBWUIZOT-UHFFFAOYSA-N 408.241 3.309 0 40 HGAB CCOC(=O)c1ccc(NC(=O)COC(=O)/C=C/c2ccc(Br)o2)cc1 3399583 UAXCBROIBKLMKE-CSKARUKUSA-N 422.231 3.414 0 40 HGAB Cn1c(=O)n(Cc2cccc(C(F)(F)F)c2)c(=O)c2c1ncn2Cc1ccccc1 4284922 JLGIWOHNZXNFHN-UHFFFAOYSA-N 414.387 3.012 0 40 HGAB biogenic CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)N(CC(F)(F)F)[C@H](C)C2CC2)C1=O 4306664 IYVAOUNMMXYYRK-BFUOFWGJSA-N 411.424 3.033 0 40 HGAB CCOC(=O)N1CCC(NC(=O)[C@@H](NC(=O)C2CCC(C)CC2)[C@H](C)CC)CC1 4778574 JWIYPYDSXPJGNL-AFNJWWOFSA-N 409.571 3.081 0 40 HGAB Cc1ccc(-n2c(CNS(C)(=O)=O)nnc2SCc2ccc(F)cc2)cc1 6724786 ZRLZJYATVJROLM-UHFFFAOYSA-N 406.508 3.056 0 40 HGAB O=S(=O)(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1cccc(Cl)c1 7055035 FMOHPCIZECXZFR-UHFFFAOYSA-N 414.936 3.315 0 40 HGAB O=C(N[C@H]1CCN2C(=O)c3cc(-c4ccsc4)ccc3NC(=O)[C@H]12)C1CCCC1 8296749 GMBXIJGZYMFIEB-OALUTQOASA-N 409.511 3.257 0 40 HGAB biogenic,in-vitro COc1ccccc1CNC(=O)CCCN(c1ccc(Cl)cc1)S(C)(=O)=O 8497634 XVHXOHDSMQLLJT-UHFFFAOYSA-N 410.923 3.211 0 40 HGAB CCOC(=O)c1sc2nc(CSc3nnnn3C3CCCC3)nc(N)c2c1C 8727330 MQILBOOIFXCAOU-UHFFFAOYSA-N 419.536 3.153 0 40 HGAB C[C@H]1CCCCN1S(=O)(=O)c1ccccc1C(=O)Nc1ccc2c(c1)OCO2 8851764 OCTHEWWYEXFIEK-AWEZNQCLSA-N 402.472 3.231 0 40 HGAB COc1ccc(C)cc1NC(=O)[C@H](CC(C)C)NC1=NS(=O)(=O)c2ccccc21 9053171 MRGCVRYVRAFCHK-KRWDZBQOSA-N 415.515 3.096 0 40 HGAB NC(=O)CCN(Cc1ccccc1)C(=O)CSc1ncc(-c2ccc(F)cc2)[nH]1 11017170 ASMQKENCVQOPFE-UHFFFAOYSA-N 412.490 3.212 0 40 HGAB CCCn1c(Cc2ccccc2)nnc1SCC(=O)N[C@@H](CC(C)C)C(=O)OC 11973455 HDHNZFYBRVIOPX-KRWDZBQOSA-N 418.563 3.075 0 40 HGAB CC(=O)c1ccc(N2CCN(C(=O)COCc3nc4ccccc4s3)CC2)cc1 12517123 HREUGUOMRRHBNL-UHFFFAOYSA-N 409.511 3.364 0 40 HGAB COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N2CCC[C@@H](C(=O)Nc3ccccc3)C2)c1C 12599666 VIBBHCIGAAZPIA-DLBZAZTESA-N 411.502 3.340 0 40 HGAB Cc1nc(SC(F)F)nc(O)c1CCC(=O)N(C)CCOc1ccccc1F 12753574 GPFDRYMAKNQTGN-UHFFFAOYSA-N 415.437 3.414 0 40 HGAB Cc1cccc(OCCNC(=O)NCC(=O)Nc2ccccc2Br)c1 12760109 QGHSMCHNBHJJSV-UHFFFAOYSA-N 406.280 3.074 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3occc3-c3ccccc3)CC2)s1 12797263 CXVXDWAAOVUJJI-UHFFFAOYSA-N 416.524 3.463 0 40 HGAB COc1cc(C(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)cc2)ccc1C 12819358 IDZZDXYNCRZWBF-IYBDPMFKSA-N 418.515 3.054 0 40 HGAB Cc1cccc(C)c1NC(=O)CN(C)S(=O)(=O)c1cccc(OC(F)(F)F)c1 12923724 LOWNKDQGHFSREQ-UHFFFAOYSA-N 416.421 3.461 0 40 HGAB CCc1c(C(=O)Nc2nc(-c3c[nH]c(C(N)=O)c3)cs2)cnn1-c1ccccc1 12948986 MSCWBYMDSVNNIF-UHFFFAOYSA-N 406.471 3.238 0 40 HGAB CN1C(=O)[C@@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H]1Cc1c[nH]c2ccccc12 13430454 JPJWIBDSDYBOPN-FGZHOGPDSA-N 400.482 3.102 0 40 HGAB CCOC(=O)c1ccc(NC(=O)[C@H](CC)N(c2ccc(F)cc2)S(C)(=O)=O)cc1 13715245 DIAZXVCRXGWOIB-SFHVURJKSA-N 422.478 3.186 0 40 HGAB O=C(C[C@H]1SC(Nc2ccc3c(c2)OCCO3)=NC1=O)Nc1ccc(F)cc1F 14117786 HUEZHXSCGNERNM-MRXNPFEDSA-N 419.409 3.175 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)COc2ccc(Cl)cc2)c1 14236536 DHENCUJMWUHXSA-UHFFFAOYSA-N 412.895 3.094 0 40 HGAB O=C(COC(=O)c1cc(F)c(F)cc1Cl)Nc1ccc(CN2CCOCC2)cc1 14564443 OWEVXQZPVMQUON-UHFFFAOYSA-N 424.831 3.246 0 40 HGAB COc1cccc(CC(=O)N2CCCC[C@@H]2c2nc(O)c3c(n2)CN(C(C)C)CC3)c1 19448345 RJQRWQPPNFNZQI-OAQYLSRUSA-N 424.545 3.254 0 40 HGAB CCNC(=O)[C@]1(Cc2ccc(-c3ccsc3)cc2)CCN(C(=O)c2cc[nH]n2)C1 19528991 PIQWLLKFVDYMPI-QFIPXVFZSA-N 408.527 3.349 0 40 HGAB Nc1c(-c2nnc(SCC(=O)NC3CC3)n2-c2ccccc2)sc2ncccc12 19894291 GZOAUMGWNKRVOO-UHFFFAOYSA-N 422.539 3.497 0 40 HGAB COc1cccc([C@@H]2N=C3NCN(Cc4ccco4)CN3c3nc4ccccc4n32)c1 19960501 CDXZCTZUIYUUNE-OAQYLSRUSA-N 414.469 3.381 0 40 HGAB CC1CCN(S(=O)(=O)c2ccc(OCC(=O)Nc3cc(F)ccc3F)cc2)CC1 20021406 HZRPEWVFLIUMHY-UHFFFAOYSA-N 424.469 3.403 0 40 HGAB COc1cc(NC(=S)NC(=O)COc2ccccc2)ccc1-c1ccc(CO)o1 20153606 VAOCASJLHVXOOD-UHFFFAOYSA-N 412.467 3.340 0 40 HGAB CCN(CC)S(=O)(=O)c1cccc(C(=O)N(C)CCOc2ccccc2F)c1 21709408 STLJPXNIZCRCGW-UHFFFAOYSA-N 408.495 3.007 0 40 HGAB CC(C)CCNC(=O)COc1ccc(N(Cc2ccccc2F)S(C)(=O)=O)cc1 22233737 RSKCZHHBSYHAIJ-UHFFFAOYSA-N 422.522 3.333 0 40 HGAB COc1cccc([C@@H](CNC(=O)CCc2c(C)nc3cc(C)nn3c2C)N(C)C)c1 22683542 BRDBKYHIYQNHQY-OAQYLSRUSA-N 409.534 3.015 0 40 HGAB O=C(/C=C/c1ccc(-n2ccnc2)cc1)N1CCN(CCOc2ccccc2)CC1 23818423 UMEMSJXXVUQHND-DHZHZOJOSA-N 402.498 3.109 0 40 HGAB CCOc1ccc(S(=O)(=O)N(C)Cc2ccc3c(c2)OCCO3)cc1OCC 26320572 KUMQTTRXCFTVDB-UHFFFAOYSA-N 407.488 3.076 0 40 HGAB CCCCOc1cc(C)c(Cl)cc1S(=O)(=O)N1CCN(C(=O)OCC)CC1 27824430 CRPQBFRIDVCJOS-UHFFFAOYSA-N 418.943 3.290 0 40 HGAB CC(=O)Nc1cccc(NC(=O)[C@H]2CC(=O)N(c3ccc(Br)cc3)C2)c1 32093144 CKZZPQFZKSSGRT-ZDUSSCGKSA-N 416.275 3.399 0 40 HGAB Cc1cccc(C(=O)N[C@H](C)C(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)c1 32716869 UVXYNWXEHHHACO-OAHLLOKOSA-N 424.526 3.198 0 40 HGAB O=C(CN1CCN(C(=O)C[C@@H]2C=CCC2)CC1)Nc1ccc(OC(F)(F)F)cc1 36007089 JUESMMZIPWEKSX-OAHLLOKOSA-N 411.424 3.024 0 40 HGAB Cn1c(C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cc2occc21 36353854 CLBGOXNVVJDWDI-UHFFFAOYSA-N 402.457 3.281 0 40 HGAB O=C(Cc1csc(Cc2ccccn2)n1)Nc1cccc(CN2CCOC2=O)c1 40142471 QCTAKMNRGHVPGO-UHFFFAOYSA-N 408.483 3.262 0 40 HGAB Cc1ccc(C(=O)C2CCN(C(=O)CCS(=O)(=O)C3CCCC3)CC2)c(C)c1 40154061 XZFDNSPZBZEKAB-UHFFFAOYSA-N 405.560 3.472 0 40 HGAB O=C(NCc1ccc(N2CCCC[C@@H]2CCO)nc1)c1cc(-c2ccc(F)cc2)[nH]n1 48332859 QWJFNGSSRREDCM-LJQANCHMSA-N 423.492 3.282 0 40 HGAB COc1ccc(-c2nnc([C@H]3CCN(C(=O)c4ccc(OC)c(OC)c4)C3)o2)cc1 49170908 HQLOEGZFUYIXPC-INIZCTEOSA-N 409.442 3.392 0 40 HGAB biogenic,in-vitro CC(=O)c1ccc(N2CCN(C(=O)c3n[nH]nc3Nc3ccc(C)c(C)c3)CC2)cc1 67284579 VWXISFODLRJODL-UHFFFAOYSA-N 418.501 3.330 0 40 HGAB Cc1nc([C@@H]2CCCN2S(=O)(=O)N(C)C)nc2c1CCCN2CC1CCCCC1 72373776 BASVPTLPGSCRON-IBGZPJMESA-N 421.611 3.061 0 40 HGAB Cn1ccnc1[C@H](O)c1cccc(F)c1N1CCN(Cc2ccc(F)c(F)c2)CC1 72389650 QTAGOOIJPOLLRO-OAQYLSRUSA-N 416.447 3.241 0 40 HGAB Cc1cc(-c2snnc2[C@H]2CCCN(C(=O)COc3cccc(F)c3)C2)on1 72396735 XDIGBGGOHGTJGN-ZDUSSCGKSA-N 402.451 3.426 0 40 HGAB O=C(NCc1cccc(Cl)c1)c1cccc(N2NC(=O)[C@H]3CC=CC[C@H]3C2=O)c1 84367772 VBPCUARSTJADDL-RBUKOAKNSA-N 409.873 3.230 0 40 HGAB COc1ccc([C@@H](C)N2C[C@]34C=C[C@@H](O3)[C@H](C(=O)OCc3ccccc3)[C@@H]4C2=O)cc1 102157369 IWQFKCBKKFOHQE-DCNRUEEBSA-N 419.477 3.282 0 40 HGAB COc1ccccc1-c1cc(C(F)(F)F)nc(S[C@H]2CC(=O)[C@H]3OC[C@H]2O3)n1 103000391 PZMORQKSAZIXSI-YCPHGPKFSA-N 412.389 3.346 0 40 HGAB COc1ccc(CC(=O)N[C@H]2CCN(c3ccc(C(F)(F)F)cn3)C2)cc1OC 206786625 DGHAUXAJOWODHK-HNNXBMFYSA-N 409.408 3.055 0 40 HGAB CCOc1ccc(N([C@H](C)C(=O)N[C@@H]2CCCc3ccccc32)S(C)(=O)=O)cc1 216471110 ZLQMSTIEXXBSJW-IIBYNOLFSA-N 416.543 3.434 0 40 HGAB CC[C@H](C(=O)NCCCN(C)c1ccccc1)N(c1ccc(F)cc1)S(C)(=O)=O 219119070 PIZVTKQZBBMHAU-HXUWFJFHSA-N 421.538 3.013 0 40 HGAB CC[C@@H](NC(=O)CCCN1C(=O)c2ccccc2S1(=O)=O)c1ccc(C)c(C)c1 219448108 GBBLLFKWVSBSFH-LJQANCHMSA-N 414.527 3.496 0 40 HGAB CCOc1ccccc1CCCNC(=O)c1cccc(N(C)S(C)(=O)=O)c1C 222438611 GZWUETLGSKUCPA-UHFFFAOYSA-N 404.532 3.152 0 40 HGAB CCn1c(=O)sc2cc(S(=O)(=O)N[C@H]3CCCc4cc(OC)ccc43)ccc21 225697721 MBHWOHFFAVGDRE-KRWDZBQOSA-N 418.540 3.447 0 40 HGAB CSc1ccc(S(=O)(=O)N[C@@H](C)COc2ccccc2C)cc1NC(C)=O 225837272 CXFNPMUQVVOKHK-AWEZNQCLSA-N 408.545 3.421 0 40 HGAB CCCNC(=O)CCc1c(C)nc2cc([C@@H]3CCCN3C(=O)C3CCC3)nn2c1C 257217671 DAARIGCVLMWHLZ-FQEVSTJZSA-N 411.550 3.269 0 40 HGAB Cc1cc(C)n(CC(=O)N2CCCC[C@@H]2c2ncc(Cc3ccc(F)cc3)o2)c(=O)n1 257294886 QWDSFODTYXNVCB-HXUWFJFHSA-N 424.476 3.332 0 40 HGAB CCc1ccccc1N(CC(=O)N[C@H](C)c1ccc2c(c1)CCC2)S(C)(=O)=O 260922377 GOMOAIVVKHRAGS-MRXNPFEDSA-N 400.544 3.381 0 40 HGAB CS(=O)(=O)N(CC(=O)NC(c1ccccc1)c1ccccc1)C1CCCCC1 408614120 YNZBGZYVNDXMSM-UHFFFAOYSA-N 400.544 3.487 0 40 HGAB Cc1cc(C)c(C)c([C@@H]2c3c(n(C)c(=O)n(C)c3=O)N=C3c4ccccc4C(=O)[C@H]32)c1 408733436 JGGJSPHOYSXGJJ-OALUTQOASA-N 413.477 3.088 0 40 HGAB C[C@@H](NCC(=O)Nc1cc(-n2cnnn2)ccc1F)c1cccc(Cl)c1Cl 537113003 UKJRRKMRCCZIAQ-SNVBAGLBSA-N 409.252 3.398 0 40 HGAB CSc1cccc(NC(=O)c2nnn(CC(=O)Nc3c(C)cc(C)cc3C)c2N)c1 585148592 OVQGMHBJIVDNKN-UHFFFAOYSA-N 424.530 3.398 0 40 HGAB Cc1cccc(C2(C(=O)N3CCC[C@@](C)(c4cc(N)nc(C)n4)C3)CCOCC2)c1 585261904 OZXXTRCDFDPVDE-HSZRJFAPSA-N 408.546 3.304 0 40 HGAB O=C1COC2(CCN(Cc3ccc(C(F)(F)F)nc3)CC2)CN1c1ccccc1 1205371227 WXZWEXKIPXZYKW-UHFFFAOYSA-N 405.420 3.498 0 40 HGAB O=C(O)c1ccc(-n2nc(-c3ccccc3O)nc2-c2cc(C(=O)O)ccc2O)cc1 1570001726 WJUPKLBTSCCXLT-UHFFFAOYSA-N 417.377 3.409 0 40 HGAB CC(C)CC(=O)N1CCN2CC(=O)Nc3cc(-c4ccccc4)ccc3OC[C@@H]2C1 1772594442 ALAQXCWGAQCKOD-FQEVSTJZSA-N 407.514 3.243 0 40 HGAB O=C(Nc1ccc(N2CCN(c3ncc(C(F)(F)F)cc3F)CC2)cn1)C1CC1 2298061414 WZPBIFAUBLUQNF-UHFFFAOYSA-N 409.387 3.310 0 40 HGAB O=S(=O)(c1ccc(NC(=S)Nc2ccc3c(c2)OCO3)cc1)N1CCCCC1 1045469 PIXNGUMZVBHXSN-UHFFFAOYSA-N 419.528 3.399 0 40 HGAB CCN(CC)CC[C@](O)(c1ccc2c(c1)OCO2)c1cc(OC)c(OC)c(OC)c1 1671002 WTNYYRBXOPUIBO-QHCPKHFHSA-N 417.502 3.409 0 40 HGAB O=C(Nc1ccc(Oc2ccccc2)cc1)O[C@@H]1CO[C@@H]2[C@@H](NC(=O)C3CC3)CO[C@H]12 4235494 MWGBRFBMLWHEFA-DOIPELPJSA-N 424.453 3.088 0 40 HGAB biogenic,in-vitro COc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC(C)(C)NC3(C)C)cc1OC 4275258 SEEYDHVDLARMPD-UHFFFAOYSA-N 417.531 3.276 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3cccs3)C2)cc1Cl 4861404 CMCOLGNBSKGELM-AWEZNQCLSA-N 412.964 3.427 0 40 HGAB CCc1ccccc1N1C[C@@H](C(=O)OCC(=O)Nc2ccccc2Cl)CC1=O 5037605 BOKBCXZCONIFLF-HNNXBMFYSA-N 400.862 3.437 0 40 HGAB CCOC(=O)C1=NN(c2ccc(Cl)cc2)[C@@H](c2cccs2)N(C(C)=O)N1C 5716818 DVQFWKHUQKIYDO-QGZVFWFLSA-N 406.895 3.492 0 40 HGAB COc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)Nc1ccc(C(F)(F)F)cc1 6282154 WPDUAIAJVBOYTA-UHFFFAOYSA-N 416.421 3.282 0 40 HGAB O=C(/C=C/c1nc2ccccc2s1)OCC(=O)N1CCN(c2ccccc2)CC1 6558019 IRITVKIAABOCAT-ZHACJKMWSA-N 407.495 3.202 0 40 HGAB CCCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2cccc(C(F)(F)F)c2)n1 7420311 QJYIRZMYMJFGEE-UHFFFAOYSA-N 405.380 3.488 0 40 HGAB Cc1ccc(/C=C/C(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)c(Br)c1 8010325 WLHQRNQQOKDFSB-SOFGYWHQSA-N 409.305 3.365 0 40 HGAB O=C(NCc1ccccc1)[C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(-c2ccc(F)cc2)nn1 8298190 YNTRRQCZJFQHJC-FCEUIQTBSA-N 419.504 3.111 0 40 HGAB biogenic,in-vitro COc1cc2ncn(CC(=O)Nc3ccccc3C(F)(F)F)c(=O)c2cc1OC 8325111 DUKAIFOESJTKRK-UHFFFAOYSA-N 407.348 3.071 0 40 HGAB O=C(COC(=O)c1ccccc1N1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O)c1ccc(F)cc1 8432844 TXPQXEINYGSLCV-RWFYYTQISA-N 419.408 3.177 0 40 HGAB COc1cc(C(=O)Nc2ccc3c(c2)N(C)C(=O)C(C)(C)CO3)cc(OC)c1OC 8959319 IRZXXJUCSPFINF-UHFFFAOYSA-N 414.458 3.346 0 40 HGAB COC(=O)[C@H](NC(=O)[C@@H](CCSC)NC(=O)C1CCC(C(C)C)CC1)C(C)C 9195377 UNDRKYUJVWENLP-OPQOLIRYSA-N 414.612 3.001 0 40 HGAB CCOc1ccc(S(=O)(=O)N(CC(=O)NC2CCCC2)C2CCCCC2)cc1 9356031 YOMPKHLSTBWQJL-UHFFFAOYSA-N 408.564 3.468 0 40 HGAB COC(=O)c1cn(CC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)c2ccccc12 9670224 AUKXDIGHRBWXPI-UHFFFAOYSA-N 420.874 3.124 0 40 HGAB O=C1c2ccccc2N2C(=O)CC[C@]2(C(=O)Nc2ccccc2)N1Cc1ccco1 9834646 HECHWGIIUXCQHD-QHCPKHFHSA-N 401.422 3.397 0 40 HGAB COc1ccccc1-n1c(C)nnc1SCC(=O)NC1CC(C)(C)NC(C)(C)C1 11423894 NFIKDPLRUICTGP-UHFFFAOYSA-N 417.579 3.102 0 40 HGAB Cc1sc2nc(C3CC3)n(C3CCN(CC(=O)N4CCCC4)CC3)c(=O)c2c1C 12184947 QCBORHXXMSTKGG-UHFFFAOYSA-N 414.575 3.212 0 40 HGAB O=C(Nc1ccnn1C1CCN(C(=O)COc2ccc(Cl)cc2)CC1)C1CC1 12191990 UCCJOHSWPNDMNT-UHFFFAOYSA-N 402.882 3.128 0 40 HGAB Cn1nc(C(C)(C)C)cc1C(=O)N1CCC[C@H](c2nc3ccccc3cc2C(N)=O)C1 12219899 WXEISSVZNKATJO-INIZCTEOSA-N 419.529 3.385 0 40 HGAB COc1ccc(N2C[C@H](C(=O)Nc3ccc4oc(=O)ccc4c3)CC2=O)cc1Cl 12321787 XEMZOOHQYJZUDT-CYBMUJFWSA-N 412.829 3.447 0 40 HGAB O=C(NCC1(c2ccccc2)CC1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 12376040 QPBLCIGTYXTBFI-IBGZPJMESA-N 418.946 3.341 0 40 HGAB COc1ccccc1C(=O)N1CCN(C(=O)CCCc2c[nH]c3ccccc23)CC1 12389339 PKUFDIDDPIBLNL-UHFFFAOYSA-N 405.498 3.484 0 40 HGAB Cc1cc(C)c2c(n1)sc1c(=O)n(CC(=O)Nc3ccc4c(c3)OCCO4)cnc12 12415015 KLXRMTPNPUKYAO-UHFFFAOYSA-N 422.466 3.033 0 40 HGAB COc1ccc(NC(=O)[C@@]2(C)CC2(Cl)Cl)cc1S(=O)(=O)N1CCCCC1 12759777 TZFYHEZWMUFGLI-MRXNPFEDSA-N 421.346 3.392 0 40 HGAB CC(=O)c1ccccc1NC(=O)[C@H](C)OC(=O)[C@]12CCC(=O)N1c1ccccc1S2 14197901 OFTNUTKKTCYZHW-RCDICMHDSA-N 424.478 3.388 0 40 HGAB Cc1nc(C)n(CC(=O)N2CCc3onc(Nc4cccc(C(F)(F)F)c4)c3C2)n1 19285753 NJKTZPSRJBAPTM-UHFFFAOYSA-N 420.395 3.230 0 40 HGAB CC[C@@H](CN1CCN(C)CC1)NC(=O)Cc1sc(C)nc1-c1ccc(C)cc1C 19500314 LQUUGRQEBAXURO-IBGZPJMESA-N 414.619 3.420 0 40 HGAB CCc1nccn1CC1(O)CCN(C(=O)CCc2cn(CC)c3ccccc23)CC1 19523608 DTXPBHOLUCKZNH-UHFFFAOYSA-N 408.546 3.406 0 40 HGAB COc1ccccc1N1C[C@H](c2cc(=O)[nH]c(NCc3ccc(F)cc3)n2)CC1=O 19571106 LNVRALVJRHNCHA-OAHLLOKOSA-N 408.433 3.050 0 40 HGAB Cc1n[nH]c2oc(=O)c(CC(=O)NC[C@@H](c3ccccc3)N3CCC(C)CC3)c(C)c12 19577212 DQOJKYYWRPOZRL-FQEVSTJZSA-N 422.529 3.265 0 40 HGAB COc1ccccc1CNC(=O)c1cc([C@H]2CCN(Cc3ccc(F)cc3)C2)n[nH]1 19707789 KRMFZNQKCMIXNR-SFHVURJKSA-N 408.477 3.477 0 40 HGAB CCn1nc([C@@H](C)C(=O)Nc2nc(-c3cn(C)nc3C)cs2)c2ccccc2c1=O 19716952 YQCNRVLZWLEWFL-GFCCVEGCSA-N 422.514 3.324 0 40 HGAB COc1ccc(NC(=O)c2cnc(C3CCN(Cc4cnn(C)c4)CC3)nc2C)cc1 19763849 NQUXLPRLYQZQEL-UHFFFAOYSA-N 420.517 3.159 0 40 HGAB Cc1ccc(CN(C)C(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1 20453191 YVOYPWBWHCMZEX-UHFFFAOYSA-N 414.449 3.438 0 40 HGAB Cc1cc(NC(=O)c2cc(C(=O)Nc3cc(C)n(C(C)C)n3)n(C)n2)nn1C(C)C 20616821 MJFKKOBKQGNRCQ-UHFFFAOYSA-N 412.498 3.096 0 40 HGAB O=C(CN1CCN(Cc2cccc3ccccc23)CC1)NCc1ccc2c(c1)OCO2 22803071 FFKLMNGAMWIFKF-UHFFFAOYSA-N 417.509 3.003 0 40 HGAB O=C(CN1CCN(CCC(=O)Nc2ccccc2Cl)CC1)Nc1ccc(F)cc1 22931256 UVFMXSLESSEGTI-UHFFFAOYSA-N 418.900 3.064 0 40 HGAB C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)S(=O)(=O)c1cc(Cl)cc(Cl)c1 23261465 OYXJJMBSWSWJSF-SNVBAGLBSA-N 423.343 3.023 0 40 HGAB COc1ccc(C2=NN(C(=O)COc3ccccc3C)[C@@](O)(C(F)(F)F)C2)cc1 27570364 VKHRQGFZHCYYHW-IBGZPJMESA-N 408.376 3.270 0 40 HGAB COc1ccccc1N(CC(=O)N(C)C1CCCC1)S(=O)(=O)c1ccccc1 30756253 YUAPHCPUGGADRX-UHFFFAOYSA-N 402.516 3.292 0 40 HGAB O=C(NCCSCc1ccccc1)c1ccc(CS(=O)(=O)N2CCCC2)cc1 30857202 KFELYFHYUDDFKB-UHFFFAOYSA-N 418.584 3.275 0 40 HGAB CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1nc(-c2ccccc2C)no1 32753367 BDVJNTIUOBCIKO-UHFFFAOYSA-N 407.474 3.464 0 40 HGAB CCOC(=O)N1CCC(NC(=O)CN(C)Cc2ccc(Cl)cc2Cl)CC1 32759249 CGWSODHYHMGXGK-UHFFFAOYSA-N 402.322 3.162 0 40 HGAB COc1cccc(-c2cc(C(=O)N[C@H](C)c3ccn(C)n3)c3c(C)nn(C)c3n2)c1 36616911 DLBLAUYOOCUVKR-CYBMUJFWSA-N 404.474 3.177 0 40 HGAB CCn1cc2c(C(F)(F)F)cc(=O)n(CCC(=O)Nc3ccc(Cl)cn3)c2n1 36621415 BHERGPIJLAQLTH-UHFFFAOYSA-N 413.787 3.314 0 40 HGAB Cc1ccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)CCCc3ccccc3)C2)cc1 38753229 LWVOPUKBXRDXHH-JOCHJYFZSA-N 414.571 3.286 0 40 HGAB CCCCCNC(=O)C1CCN(C(=O)c2cccnc2OCC(F)(F)F)CC1 40121280 KXEWATMAXFHFHN-UHFFFAOYSA-N 401.429 3.181 0 40 HGAB COc1ccc(NC(=O)OC(C)(C)C)c(NC(=O)Cn2cnc3ccccc3c2=O)c1 40134602 WGNADPCPDMPDMR-UHFFFAOYSA-N 424.457 3.391 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC(N3CCCc4ccccc43)CC2)cc1F 40149747 PWRHFKZVZVZQRI-UHFFFAOYSA-N 404.507 3.440 0 40 HGAB Cc1nsc2nc(-c3cc(S(=O)(=O)N4CCCC4)ccc3Cl)oc(=O)c12 40464786 NHTJRXHURBVFFD-UHFFFAOYSA-N 411.892 3.058 0 40 HGAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)N[C@H](C)CCc1ccccc1 43397799 VTAHYQUHUCXPSE-OAHLLOKOSA-N 405.520 3.088 0 40 HGAB C[C@]1(c2cccc(NC(=O)c3ccc4[nH]c5c(c4c3)CCCC5)c2)NC(=O)NC1=O 47169289 URNMFVAIHHVHIN-HSZRJFAPSA-N 402.454 3.354 0 40 HGAB Cc1ccc(NC(=O)C2CC2)cc1NC(=O)NC1CCN(C(=O)c2ccoc2)CC1 48369104 AEIUAJHLFMUFGS-UHFFFAOYSA-N 410.474 3.363 0 40 HGAB COc1ccc(S(=O)(=O)Nc2ccc(C(=O)NC3CCCC3)cc2)cc1OC 55642161 KNCXNVNUKPVVCC-UHFFFAOYSA-N 404.488 3.177 0 40 HGAB O=C(CN1CCN(c2ccc(O)cc2)CC1)NCCc1ccc(Cl)cc1Cl 57363964 ZFRHYMFTHINNDU-UHFFFAOYSA-N 408.329 3.180 0 40 HGAB CCn1cc(C(=O)OCc2ccc(C)cc2)c(S(=O)(=O)N2CCCCCC2)n1 57478167 AONGBKVTKQKTAE-UHFFFAOYSA-N 405.520 3.133 0 40 HGAB Cc1cccc(-n2c(-c3ccc(Cl)cc3)nn(CN3CCNC(=O)C3)c2=S)c1 58161851 UKWYBSNEMSCDGC-UHFFFAOYSA-N 413.934 3.421 0 40 HGAB CCC(=O)N(C)c1nc2ccccc2n(CC(=O)Nc2cccc(Cl)c2C)c1=O 64987574 PNAFRYVBOTURMD-UHFFFAOYSA-N 412.877 3.370 0 40 HGAB NC(=O)c1cccc(-c2nccnc2[C@H]2CCCN(C(=O)Cc3ccccc3)C2)c1 72358637 GYGIRWJCBFIMPX-FQEVSTJZSA-N 400.482 3.191 0 40 HGAB O=C(CCCn1cncn1)NC1CCN(CC2(c3cccc(F)c3)CCCC2)CC1 72393459 ARJCLLPPGWABNM-UHFFFAOYSA-N 413.541 3.290 0 40 HGAB Cc1csc([C@](O)(CC(=O)N[C@H](C)c2nc(C(C)(C)C)no2)C(F)(F)F)n1 78935551 IIZVPNURTAQDSG-RFAUZJTJSA-N 406.430 3.149 0 40 HGAB Cc1csc(-c2cccc(CNC(=O)CCN3C(=O)CC4(CCCC4)C3=O)c2)n1 79484388 KFYFBTKKFZSMGM-UHFFFAOYSA-N 411.527 3.444 0 40 HGAB CCOC(=O)c1ccc(C(=O)c2ccccc2CN2CCC3(CC2)OCCO3)cc1 85651550 HAAWGGVILKIGBQ-UHFFFAOYSA-N 409.482 3.433 0 40 HGAB COc1cc(C(=O)N2CCCC[C@H]2CC(N)=O)cc(OC)c1OCc1ccccc1 95393916 OTMPHHSPBLXIOA-SFHVURJKSA-N 412.486 3.153 0 40 HGAB COc1ccc(Cl)cc1N1CC[C@@H](NC(=O)c2cccc(N3CCOC3=O)c2)C1 95397009 PSNMSCWFARDYTK-MRXNPFEDSA-N 415.877 3.314 0 40 HGAB O=C(N[C@@H]1CCN(c2ccccc2Br)C1)c1cccc(-n2ccnn2)c1 95439514 HKWKHWJDVSCRHG-OAHLLOKOSA-N 412.291 3.039 0 40 HGAB CSCCC(=O)NCCN1C(=O)S/C(=C/c2ccc(OC(F)F)cc2)C1=O 96018673 BHNYEEGSKGVOHH-JLHYYAGUSA-N 416.471 3.194 0 40 HGAB CSc1ccc([C@@H](O)CNS(=O)(=O)c2ccc(Br)s2)cc1 96103225 LPHMSENBTQYQHX-NSHDSACASA-N 408.364 3.244 0 40 HGAB O=C(CCc1c[nH]c2ccccc12)NCCN1C(=O)S/C(=C/c2cccnc2)C1=O 96544295 GTJNYNNPKWPQSZ-XDHOZWIPSA-N 420.494 3.348 0 40 HGAB COc1ccc(/C=C(\NC(=O)c2ccc(C)cc2)C(=O)N2CCC(C(=O)O)CC2)cc1 96942148 QEGZORZQXWFRGS-QNGOZBTKSA-N 422.481 3.098 0 40 HGAB C[C@H](C(=O)Nc1cccc(CN2CCCCCC2)c1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 100774056 RXUXNJCGZSDXMR-XTYSOYBWSA-N 421.541 3.197 0 40 HGAB C[C@H]([C@H]1C[C@H]2CC[C@H]1C2)N1C(=O)C(=O)N(CC(=O)Nc2ccc(F)cc2Cl)C1=O 104673215 FBHAHLLMZDWJOM-OWTLIXCDSA-N 421.856 3.033 0 40 HGAB COCCOc1cccc(C(=O)N[C@@H](c2ccc(Cl)cc2)[C@@H]2CN(C)CCO2)c1 108150185 KBLYSQCYCYLNHD-SFTDATJTSA-N 418.921 3.167 0 40 HGAB CC1(C)C[C@H](NC(=O)CN(c2ccc(F)cc2F)S(C)(=O)=O)c2ccccc2O1 220094181 JFWBCVHCASNDNV-INIZCTEOSA-N 424.469 3.149 0 40 HGAB COC(=O)c1cccc(NC(=O)[C@H](C)N(c2ccc(C)c(Cl)c2)S(C)(=O)=O)c1 220366795 LLHALOBFCYRULV-ZDUSSCGKSA-N 424.906 3.228 0 40 HGAB CC[C@H](C(=O)Nc1ccc(OC)c(OC)c1)N(c1cccc(C)c1)S(C)(=O)=O 220497676 BKSRXGFQJNLOLO-QGZVFWFLSA-N 406.504 3.196 0 40 HGAB COCCNc1ccc(C(=O)OC(C)C)cc1S(=O)(=O)Nc1ccc(C)cc1 223421918 YBYBCFGTDATTMF-UHFFFAOYSA-N 406.504 3.419 0 40 HGAB CCS(=O)(=O)N(C)c1ccc(C(=O)NCCOc2ccccc2C(C)C)cc1 223769701 JXWXDHQXVZAQON-UHFFFAOYSA-N 404.532 3.405 0 40 HGAB COc1ccc(S(=O)(=O)N(C)Cc2cccc(Cl)c2)cc1N1CCCC1=O 223888137 IUQFFASCRHDTBJ-UHFFFAOYSA-N 408.907 3.296 0 40 HGAB CNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CSCc1ccc(OC)cc1 225412917 KVFKXTGAPYNLAQ-OAHLLOKOSA-N 404.507 3.231 0 40 HGAB Cc1nn(-c2ccccn2)c(C)c1CCNC(=O)COc1cccc2c1OC(C)(C)C2 225581321 SFCOIGHTABJKJO-UHFFFAOYSA-N 420.513 3.335 0 40 HGAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)N(C)Cc2ccccc2F)cc1C 226065050 KYTYDGRJBRYCCJ-UHFFFAOYSA-N 422.522 3.202 0 40 HGAB COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCC(C)(C)C)cc2)cc1 226084816 JHYQZXGCIVPOES-UHFFFAOYSA-N 406.504 3.037 0 40 HGAB CCC[C@]1(C(=O)OCC)N[C@H](c2ccccc2F)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 245229587 BMJHXWPMQWXXQF-ZSTWQFLISA-N 424.472 3.378 0 40 HGAB CC[C@H](C)NC(=O)CN1[C@H]2CC[C@H]1c1cnc3cc(-c4ccc(OC)cc4)nn3c1C2 248145483 DSAGTCHPEMLMNS-WJPUGNRLSA-N 419.529 3.381 0 40 HGAB CCC(=O)N1CCO[C@H](c2cc(CCOc3cccc(C(F)(F)F)c3)n(C)n2)C1 257211482 BZAOXDMMRVJJEP-SFHVURJKSA-N 411.424 3.370 0 40 HGAB CC(C)Oc1ccc(N2C[C@H](C(=O)N3CCN(Cc4ccccc4)CC3)CC2=O)cc1 408708317 PDVYUQNBRKVSHH-OAQYLSRUSA-N 421.541 3.171 0 40 HGAB Cc1ccc(C(=O)N[C@H](C)c2nnc(SCC(=O)Nc3ncccc3C)n2C)cc1 409144787 PBWJYIXCMUGFCO-OAHLLOKOSA-N 424.530 3.049 0 40 HGAB Cc1ccccc1[C@H](OC[C@H](O)CN[C@@H]1CCC(=O)NC12CCC2)c1ccccc1 549118028 PVNPLZSTMPEWDK-KIFXHHALSA-N 408.542 3.253 0 40 HGAB CC(=O)Nc1cccc(-c2cnc3n2CCN(C(=O)c2sc(C)nc2C)CC3)c1 585111156 HCIRPJZEWFQTAN-UHFFFAOYSA-N 409.515 3.280 0 40 HGAB CCn1ccnc1CN1CCCN([C@H](C)C(=O)Nc2cccc(Cl)c2C)CC1 592187373 BYWOQHLEDWFOPM-QGZVFWFLSA-N 403.958 3.400 0 40 HGAB O=S(=O)(NC[C@@]1(O)CCCc2sccc21)c1ccc(OC(F)(F)F)cc1 1889260334 MLROFIRSKZPXEV-HNNXBMFYSA-N 407.435 3.149 0 40 HGAB Cn1c(CN2CCC[C@@]3(CC2)CC(=O)NCc2ccccc2N3)nc2ccccc21 2037988876 MIHSNSDSQZSBQD-XMMPIXPASA-N 403.530 3.430 0 40 HGAB CCc1ccc([C@H]2[C@H](C(=O)OC(C)C)C(=O)C[C@@](C)(O)[C@@H]2C(=O)OC(C)C)cc1 625937 VBEOCZTYICTUGT-FAKFISEUSA-N 404.503 3.192 0 40 HGAB CC(C)c1nc2sc3c(N(C[C@H](C)O)C[C@H](C)O)ncnc3c2c2c1CCC2 2242542 TWTISTKJPQLOLC-STQMWFEESA-N 400.548 3.420 0 40 HGAB COC(=O)c1ccc(CNC(=O)COC(=O)c2cc3ccccc3cc2OC)cc1 3224842 ASLUHIRBZNDKMS-UHFFFAOYSA-N 407.422 3.108 0 40 HGAB COc1ccccc1OCC(=O)OCC(=O)c1cc(C)n(C[C@H]2CCCO2)c1C 3315300 PFTUAYODHDJOQD-QGZVFWFLSA-N 401.459 3.097 0 40 HGAB CCC(CC)c1nnc(NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)s1 3371175 MNWNPYWJKGEPOM-UHFFFAOYSA-N 416.956 3.354 0 40 HGAB CC(C)(C)NC(=O)NC(=O)COc1ccc(Br)cc1Br 3515558 QSMNMGLAKWUCTJ-UHFFFAOYSA-N 408.090 3.215 0 40 HGAB COc1ccccc1-c1ccc2nnc(SCC(=O)NCCc3ccccc3)n2n1 4376604 JPRPVBMXIHLLNE-UHFFFAOYSA-N 419.510 3.251 0 40 HGAB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OC)c(O)c3)C2=O)cc1 4456540 ROZDEAFQXAPPFW-LICLKQGHSA-N 414.439 3.084 0 40 HGAB Cc1nnc(SCC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)n1C1CCCCC1 5148682 ATIHCCGNUGYSON-UHFFFAOYSA-N 422.576 3.463 0 40 HGAB CCn1c(SCC(=O)Nc2ccc(C(N)=O)cc2)nnc1-c1cccc(Cl)c1 5499248 JDAACCZWFODORN-UHFFFAOYSA-N 415.906 3.448 0 40 HGAB CCn1c(CN2CCCCCC2=O)nnc1S[C@@H](C)C(=O)Nc1ccc(F)cc1 5538427 HKBOAZRYEQVENR-AWEZNQCLSA-N 419.526 3.459 0 40 HGAB CCOC(=O)c1sc(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)nc1-c1ccccc1 5672830 FNLHSZXVXWSASZ-BARDWOONSA-N 412.467 3.448 0 40 HGAB CC(C)CN(C(=O)COc1ccc(-c2ccccc2)cc1)[C@@H]1CCS(=O)(=O)C1 7263241 NIZSPAXCOFXSNY-HXUWFJFHSA-N 401.528 3.404 0 40 HGAB C[C@@]1(C2CC2)NC(=O)N(CC(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)C1=O 7737401 DUVNLWXXZBHSNV-KNQAVFIVSA-N 411.889 3.266 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(OC)c(NCC(=O)N[C@@H](C)c2ccccc2)c1 7975788 MVNMFDCDQOHJOF-INIZCTEOSA-N 419.547 3.015 0 40 HGAB CS(=O)(=O)c1ccc(Cl)c(C(=O)OCc2nnc(-c3ccc(F)cc3)o2)c1 8075328 JASQGBGTSFGAPY-UHFFFAOYSA-N 410.810 3.290 0 40 HGAB COc1ccc(NC(=O)CN(C)C(=O)CSc2nc3ccccc3s2)cc1 8312929 AOMLKAXUFBNUAQ-UHFFFAOYSA-N 401.513 3.494 0 40 HGAB COCCCNC(=O)c1nc(-c2ccc(Br)cc2)n(-c2ccccc2)n1 8476506 HZYDWUVQBSUVFA-UHFFFAOYSA-N 415.291 3.463 0 40 HGAB Cn1c(=O)n(Cc2ccccc2Cl)c(=O)c2c1nc1n2CCCN1c1ccccc1 9110648 LHKLTMCFRWHPHN-UHFFFAOYSA-N 421.888 3.140 0 40 HGAB CCOc1ccccc1-n1nnnc1SCCCCN1C(=O)c2ccccc2C1=O 9508820 GNIKMEAQTBHZTJ-UHFFFAOYSA-N 423.498 3.230 0 40 HGAB Cn1c(SCC(=O)Nc2ccc(Cl)cn2)nnc1[C@H]1COc2ccccc2O1 9509634 BGHKIQMONNUKOU-CQSZACIVSA-N 417.878 3.107 0 40 HGAB CC(=O)N1CCc2c(sc(NC(=O)CSc3ccc(Cl)cc3)c2C(N)=O)C1 9630217 AUGRRNGCEFCRRL-UHFFFAOYSA-N 423.947 3.136 0 40 HGAB CN(C)C(=O)[C@@H](OC(=O)C1CCN(c2nc3ccccc3o2)CC1)c1ccccc1 10654376 MDMHVVFSWKBUII-FQEVSTJZSA-N 407.470 3.417 0 40 HGAB COc1ccc(NC(=O)CN2CC=C(c3c(OC)cc(OC)cc3OC)CC2)cc1 11058872 HVQQYRHUZPCACF-UHFFFAOYSA-N 412.486 3.449 0 40 HGAB CC(C)c1ccccc1OCC(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1 11449978 ZAPQRMVBNNZTTG-UHFFFAOYSA-N 422.572 3.220 0 40 HGAB CS(=O)(=O)c1ccc(NC(=O)CNc2cc(Cl)ccc2N2CCCC2)cc1 11621068 AEUGODYATKEYRN-UHFFFAOYSA-N 407.923 3.394 0 40 HGAB Cc1ccc(F)cc1NC(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 11773390 VCINKEVHAKGOCZ-UHFFFAOYSA-N 422.386 3.446 0 40 HGAB COc1ccc([C@@H](NC(=O)c2cccc(N3CCCS3(=O)=O)c2)C(C)C)cc1 11971926 HBIQTWDUQITUTC-FQEVSTJZSA-N 402.516 3.362 0 40 HGAB Cc1ccc(C2=NO[C@@H](CC3(C(=O)NCCc4ccncc4)CCOCC3)C2)cc1 12088831 WXWYGXCXYMULOB-OAQYLSRUSA-N 407.514 3.429 0 40 HGAB NC1=Nc2nc3cc4c(cc3n2[C@H](c2cccc(C(F)(F)F)c2)N1)OCCCO4 12506229 XGHLWCIFYAZLNI-MRXNPFEDSA-N 403.364 3.313 0 40 HGAB CCCCOc1ccc(C(=O)NCC(=O)NCc2ccc(NC(=O)C3CC3)cc2)cc1 12746881 QEDUYRGJZBVKJA-UHFFFAOYSA-N 423.513 3.260 0 40 HGAB COc1ccc([C@H](CNC(=O)c2cc3ccccc3cc2O)N2CCOCC2)cc1 12928548 DZEAUOTWXHXSKD-QFIPXVFZSA-N 406.482 3.357 0 40 HGAB C[C@H]1Oc2ccc(NC(=O)C3CCN(C(=O)/C=C/c4ccccc4)CC3)cc2NC1=O 12947273 ZXENMLKYICSLRF-OJXHRBAXSA-N 419.481 3.297 0 40 HGAB CC(=O)OC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccn3)C(=O)[C@H]12 13214562 RNLFYMBCRTUCSB-NFJKTXFASA-N 410.429 3.153 0 40 HGAB C[C@@H]1Cc2ccccc2N1C(=O)CN(c1cccc(Br)c1)S(C)(=O)=O 13645933 ZQQWZVMZSOXBNO-CYBMUJFWSA-N 423.332 3.193 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCSc3ccccc3F)CC2)cc1 14241076 IQEFXUQZZYQBEB-UHFFFAOYSA-N 422.547 3.149 0 40 HGAB CC(=O)Nc1ccc(NC(=O)[C@H](C)Sc2nnc(NC[C@H]3CCCO3)s2)cc1 14246737 OIZDVRIGKSPAIY-XHDPSFHLSA-N 421.548 3.207 0 40 HGAB COc1ccc(CNC(=O)[C@@H]2Cc3[nH]cnc3CN2Cc2cc3ccccc3o2)cc1 15676252 BCJKVSHEQRMUMV-QFIPXVFZSA-N 416.481 3.408 0 40 HGAB biogenic,in-vitro O=C(OCc1nc2ccccc2c(=O)[nH]1)c1nccnc1-c1nc2ccccc2s1 16674515 BFQIWAKLHCGDTI-UHFFFAOYSA-N 415.434 3.347 0 40 HGAB COc1ccc(/C=C/C(=O)N(Cc2cccc(F)c2)[C@@H]2CCS(=O)(=O)C2)cc1 16753941 SFWYINNDPIZLPA-QPGLYAHGSA-N 403.475 3.063 0 40 HGAB CCn1nnc(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)n1 17088760 PMGOMRPRCBDTAE-UHFFFAOYSA-N 411.274 3.387 0 40 HGAB CC[C@@]1(C)Cc2c(sc3c2[C@H](N)NC(SCC(=O)N2CCCCC2)=N3)CO1 17945393 MORBRIGSHHLQON-APWZRJJASA-N 408.593 3.283 0 40 HGAB Cc1ccc(C2(CN3CCC(NC(=O)c4n[nH]cc4Br)CC3)CC2)cc1 19208389 ZAQNPAKRHZBOFU-UHFFFAOYSA-N 417.351 3.407 0 40 HGAB CC1(C)[C@H]2CC[C@]1(C)C(=O)N(CCCCN1CCN(Cc3ccccc3)CC1)C2=O 19367297 XTGMLDFXCZWGIX-SQJMNOBHSA-N 411.590 3.396 0 40 HGAB O=c1[nH]c(C2CCN(Cc3ccccn3)CC2)nc2c1CN(Cc1ccccc1)CC2 19372311 RXGNMMWEZALCQZ-UHFFFAOYSA-N 415.541 3.103 0 40 HGAB CCOCc1cc(CN2CC[C@@H](c3cc(=O)[nH]c(-c4ccncc4)n3)C2)ccc1OC 19531105 ADYSSLTVPLTNMX-LJQANCHMSA-N 420.513 3.367 0 40 HGAB COc1ncc(CN2CCC(c3nc(NC4CC4)ncc3-c3ccncc3)CC2)cn1 19572090 UDRUCXRMOYGXSD-UHFFFAOYSA-N 417.517 3.291 0 40 HGAB Cc1nn(C)cc1C(=O)N1CCC[C@@H]1c1nc(N(C)C)ncc1-c1cccc(F)c1 19689509 IDLSCZPBQBDDBS-LJQANCHMSA-N 408.481 3.368 0 40 HGAB CCOC(=O)[C@@](NC(=O)c1ccc(OC)cc1)(Nc1cc(C)ccn1)C(F)(F)F 19939186 RGPSDFVCNUGGQQ-SFHVURJKSA-N 411.380 3.062 0 40 HGAB CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1 20047923 ODNKFEBFZQODHN-WIYYLYMNSA-N 412.486 3.400 0 40 HGAB O=C(CSc1nc(-c2ccccc2)nc2cc(=O)[nH]n12)Oc1ccc(Cl)cc1 21885396 FLQZKDICKWDGHI-UHFFFAOYSA-N 412.858 3.436 0 40 HGAB CCOc1cc2c(cc1NC(=O)CN1CCN(Cc3ccsc3)CC1)O[C@@H](C)C2 22849182 XTULRLXGOXETMV-INIZCTEOSA-N 415.559 3.227 0 40 HGAB O=C(NC[C@H]1COc2ccccc2O1)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 23055394 WCADBRYDRMXQAR-SFHVURJKSA-N 424.478 3.057 0 40 HGAB Cc1ccccc1-c1noc(CN2N=N[C@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@H]32)n1 23126520 JQTMNOFDAHXYPY-SJORKVTESA-N 422.832 3.192 0 40 HGAB COCCCN1C(=O)[C@H](CC(=O)Nc2ccc(C)cc2F)n2c1nc1ccccc12 23411241 BVKGGFDHAQQWDX-IBGZPJMESA-N 410.449 3.437 0 40 HGAB C[C@@H](C(=O)NC1CCCC1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 23816347 BELNTEGSYBRQSC-LBPRGKRZSA-N 404.864 3.323 0 40 HGAB COc1ccc(C)cc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C)s2)C1 24926330 OJTVIGSKXXSRLN-HNNXBMFYSA-N 408.545 3.413 0 40 HGAB Cc1cc(C(=O)NCc2cccc(NS(C)(=O)=O)c2)c(C)n1Cc1ccco1 25238986 BHAISPCOTJMTGT-UHFFFAOYSA-N 401.488 3.048 0 40 HGAB COC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc(OCc2c(C)noc2C)c1 25417417 IPBVSVLRNHKXLK-NRFANRHFSA-N 408.454 3.385 0 40 HGAB CCCc1ccc(NCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 36390643 NOIMLEXTKRRVCT-UHFFFAOYSA-N 401.532 3.474 0 40 HGAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCCCN(C)C)ccc2Cl)c1C 37020523 IJKKQMOQVVRRFX-UHFFFAOYSA-N 423.966 3.439 0 40 HGAB CCN(CC(=O)Nc1ccccc1F)S(=O)(=O)c1ccc(Br)cc1 39985329 WQUHIQAJAKUYIE-UHFFFAOYSA-N 415.284 3.238 0 40 HGAB CC1CCC(NC(=O)CN2C(=O)N[C@](C)(c3cccc(C(F)(F)F)c3)C2=O)CC1 40116736 OISHMXXEDBWVAH-UZABCXPZSA-N 411.424 3.167 0 40 HGAB CCOC(=O)[C@H](CNC(=O)[C@H](NC(=O)c1cccc(C)c1)C(C)C)Cc1ccccc1 58051851 HHHXTARFOSGQGB-FCHUYYIVSA-N 424.541 3.288 0 40 HGAB CCOC(=O)C1=C(CN2CCCCCC2)NC(=O)N[C@@H]1c1ccc(SC)cc1 67286934 FWZBATGFQPOQQE-LJQANCHMSA-N 403.548 3.456 0 40 HGAB Cn1cc(C(=O)NC2CCCC2)c(CC2CCN(C(=O)Cc3ccccc3)CC2)n1 72356040 JNTZJPBHVZYQAW-UHFFFAOYSA-N 408.546 3.116 0 40 HGAB Cn1nc([C@H]2CCCN(C(=O)c3ccc(Cl)s3)C2)n(-c2ccccc2)c1=O 77100594 ZPPHNCIDVWFOSZ-ZDUSSCGKSA-N 402.907 3.306 0 40 HGAB CCc1c(C(=O)N(Cc2ccccc2)[C@H](C)CN2CCOCC2)[nH]c(C)c1C(C)=O 78743462 UKCGEFFUQVOQKD-QGZVFWFLSA-N 411.546 3.451 0 40 HGAB O=C(Cn1ccc2cc(Br)ccc21)NCCCc1nnc2ccccn12 95476120 ONIYVTKWXYALCS-UHFFFAOYSA-N 412.291 3.196 0 40 HGAB COC(=O)C[C@H](c1ccc2ncccc2c1)c1c(O)nc2ccc(Cl)cn2c1=O 96117786 DKYMXKWLLZRUCP-OAHLLOKOSA-N 409.829 3.297 0 40 HGAB Cc1ccc(NCc2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccccc2Cl)cc1 96306557 FXKGCOKYCYGVNN-UHFFFAOYSA-N 409.877 3.046 0 40 HGAB O=C(O)c1ccc2c(=O)n3c(nc2c1)/C(=C\c1ccc(-n2ccnc2)c(F)c1)CC3 96947582 CVMBEWMSXRBHJU-ZROIWOOFSA-N 402.385 3.364 0 40 HGAB CC(C)(C)[S@](=O)Cc1cccc(NC(=O)N2CCN(Cc3ccccn3)CC2)c1 97379641 USXPQGKQZIINHB-LJAQVGFWSA-N 414.575 3.479 0 40 HGAB Cc1nn(Cc2noc(C(=O)N[C@@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)n2)c(C)c1Br 102637817 VSNPFOQHCFICOJ-HBEIAFGSSA-N 422.327 3.248 0 40 HGAB CCOCCCNC(=O)c1ccc(CN(C)S(=O)(=O)c2ccc(Cl)cc2)cc1 224433415 LCQVAASLXFDJFS-UHFFFAOYSA-N 424.950 3.317 0 40 HGAB CCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)COc1ccccc1OC 225009080 MUTFEGGLYPMLGC-KRWDZBQOSA-N 414.502 3.026 0 40 HGAB OCc1ccc(CN2CC[C@@]3(COCc4cnc(NCc5ccccc5)nc43)C2)cc1 247945963 QXGYADVRXUGFAP-VWLOTQADSA-N 416.525 3.255 0 40 HGAB CCN(CC)C(=O)CN1CCO[C@H](c2cccc(Nc3nc(C)c(C)s3)n2)C1 257213013 CFVQOOTYIJVNGB-KRWDZBQOSA-N 403.552 3.140 0 40 HGAB C[C@@]1(C2CCN(C(=O)CCCc3cn[nH]c3)CC2)CN(Cc2ccccc2)C(=O)O1 257296258 RBYDCPGBADVQKO-QHCPKHFHSA-N 410.518 3.382 0 40 HGAB Cn1cnc(S(=O)(=O)N2CCC[C@H](c3ncc(Cc4ccccc4Cl)o3)C2)c1 257343720 ZUDIUOMHLLLJGE-HNNXBMFYSA-N 420.922 3.221 0 40 HGAB Cc1nc(C(=O)N2CCO[C@@H](c3cn4c(-c5ccncc5)cccc4n3)C2)cs1 306136013 PGLIECVGSJMAEL-LJQANCHMSA-N 405.483 3.375 0 40 HGAB COc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N3CCCC3)c2)c(OC)c1 408610030 ULZDCJACWQUHKP-UHFFFAOYSA-N 404.488 3.049 0 40 HGAB CCCCCCNC(=O)C(=O)Nc1ccccc1C(=O)NCc1cccc(OC)c1 408709468 AVQQTSYITBWICS-UHFFFAOYSA-N 411.502 3.260 0 40 HGAB O=C(NCCCCc1ccccc1)C(=O)Nc1ccc(I)cc1 408718359 UFFDBXSHKBJKNC-UHFFFAOYSA-N 422.266 3.369 0 40 HGAB COC(=O)c1ccc(C)c(NC(=O)CN(c2ccc(C)c(Cl)c2)S(C)(=O)=O)c1 408922234 YHRARTUSZADIPU-UHFFFAOYSA-N 424.906 3.148 0 40 HGAB O=C(Nc1cccc(Br)c1)c1ccc(N2C(=O)c3cnncc3C2=O)cc1 408977644 XODQBIZKLTWDRQ-UHFFFAOYSA-N 423.226 3.292 0 40 HGAB O=C(CSc1nc2ccc(N3C(=O)[C@H]4CCCC[C@@H]4C3=O)cc2s1)NC1CC1 408981645 IMQUOUCRQWEUFS-KBPBESRZSA-N 415.540 3.347 0 40 HGAB Cc1ccc(Cl)cc1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccccc2C)C1 409134900 QCOGLFDPBKDUNM-OAHLLOKOSA-N 400.862 3.492 0 40 HGAB Cc1nc(C)c(C(=O)N2CCC3(CC2)CO[C@@H](CN(C)[C@H]2CC[C@H](O)CC2)C3)s1 585104909 WUWSMLXERDFQDL-GUDVDZBRSA-N 421.607 3.007 0 40 HGAB COCCN(C)CCNC(=O)c1cc(-c2ccc(C)cc2)nc2c1cnn2C(C)C 588933906 YGNQJGLRVDXMHZ-UHFFFAOYSA-N 409.534 3.296 0 40 HGAB COc1cccc(N2CCC(Nc3nc(N)c4cc(OC)c(OC)cc4n3)CC2)c1 1116026795 QJZSRNOVWOIIOJ-UHFFFAOYSA-N 409.490 3.319 0 40 HGAB O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1[C@H]2CC[C@H]1CC(n1cccn1)C2 1888881827 BVUJNBKFIUCONN-STQMWFEESA-N 401.410 3.339 0 40 HGAB COc1ccc(C(=O)Nc2ccc3c(c2)CCC3)cc1S(=O)(=O)N1CCCC1 2664567 DTXGRIQCORROQJ-UHFFFAOYSA-N 400.500 3.221 0 40 HGAB Cc1ccc(-c2nnc(CCC(=O)OCCCn3c(=O)[nH]c4ccccc43)o2)cc1 32777495 DKEMNTSUNIEBJS-UHFFFAOYSA-N 406.442 3.254 0 40 HGAB O=C(NC1CCCCC1)[C@@H](c1ccc(F)cc1)N(C(=O)c1csnn1)C1CC1 1378496 LNBFDXBWHIHYLM-GOSISDBHSA-N 402.495 3.472 0 40 HGAB CCCCC[C@@H](C)NS(=O)(=O)c1cc2c(cc1Br)NC(=O)CO2 32825712 UUMNDOJWCIVASC-SNVBAGLBSA-N 405.314 3.027 0 40 HGAB Cc1ccc(NC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c(Cl)c1 2621789 LORNNNSNZIBNCF-UHFFFAOYSA-N 422.934 3.241 0 40 HGAB O=C(COC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)Nc1ccc(SC(F)F)cc1 2653023 SHZPNSXHVHYPON-GFCCVEGCSA-N 424.425 3.125 0 40 HGAB Cc1cn2c3c(=O)n(Cc4ccccc4F)c(=O)n(C)c3nc2n1C1CCCCC1 4386372 FUDFXLBTTYYUTH-UHFFFAOYSA-N 409.465 3.150 0 40 HGAB CC(C)[C@@H](OC(=O)C[C@@H]1Sc2ccccc2NC1=O)C(=O)NCc1ccccc1 4967082 KVCKDYJGCAHISW-AZUAARDMSA-N 412.511 3.374 0 40 HGAB CCCCNC(=S)N(Cc1cccnc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 6077923 FOHISPQILOJWLW-UHFFFAOYSA-N 424.526 3.329 0 40 HGAB CCN(c1cccc(C)c1)S(=O)(=O)c1nnc(NC(=O)c2cccs2)s1 6818320 RHIQRBACZYEQSQ-UHFFFAOYSA-N 408.530 3.376 0 40 HGAB CCCNc1c(NS(=O)(=O)c2ccc(OC)c(OC)c2)c(=O)oc2ccccc12 6914062 XWJZWUDWQOVYGV-UHFFFAOYSA-N 418.471 3.433 0 40 HGAB Cc1c(/C=C(/C#N)C(=O)NC(N)=O)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 6960097 JPJDPNGEODZVRK-GDNBJRDFSA-N 403.398 3.008 0 40 HGAB COc1ccc(OC)c(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)c1 7971517 PVXYJZPUTDHPAD-UHFFFAOYSA-N 418.515 3.439 0 40 HGAB Cc1nc(N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)c2c(C)c(C)sc2n1 33010743 CWYLMMURJQRAGG-SFHVURJKSA-N 424.526 3.105 0 40 HGAB Cc1nn(-c2ccccc2)c(C)c1CC(=O)NC[C@@H](c1cccs1)N1CCOCC1 29932897 UWRZKCFPNGICKC-NRFANRHFSA-N 424.570 3.283 0 40 HGAB COc1ccc(N([C@@H](C)C(=O)N2c3ccccc3C[C@@H]2C)S(C)(=O)=O)cc1Cl 10449925 DYEFDCBAYYMXKD-KBPBESRZSA-N 422.934 3.481 0 40 HGAB CC(=O)Nc1ccc(NC(=O)COC(=O)CCC(=O)Nc2c(C)cccc2C)cc1 8433724 SVGWHOPVJJTYJO-UHFFFAOYSA-N 411.458 3.162 0 40 HGAB Cc1ccn(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2C)/c(=N/C2CCCCC2)c1 23199362 SHQQJQNJUUINKP-XTQSDGFTSA-N 415.559 3.277 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3c(C)cccc3C)C2)cc1 9974212 LFFGWUQLHWVGPU-KRWDZBQOSA-N 402.516 3.351 0 40 HGAB O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)Nc1cccc(-n2cnnn2)c1 24016070 SVCGOSVTOJRXGI-NRFANRHFSA-N 412.453 3.162 0 40 HGAB CC(C)Cn1c(=O)[nH]c(=O)c2c(C(=O)N3c4ccccc4C[C@H]3C)cc(C(C)C)nc21 24442482 MCPMSNCBUNEJJS-OAHLLOKOSA-N 420.513 3.456 0 40 HGAB CCCCOc1cccc(CNC(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)c1 71850244 XEUQFRVOHNLNBY-GOSISDBHSA-N 422.572 3.397 0 40 HGAB CC(C)N(C)S(=O)(=O)N1CCC2(CC1)C[C@H]2c1nnc(-c2cccc(F)c2)o1 71890649 AXLLTQDMXNMVKZ-INIZCTEOSA-N 408.499 3.030 0 40 HGAB Cn1cnc2c1c(=O)n(CCCSCc1ccc(Cl)cc1Cl)c(=O)n2C 12535795 WSTLUYMNKOSPRL-UHFFFAOYSA-N 413.330 3.064 0 40 HGAB O=C(OC[C@H]1CN(Cc2ccccc2)CCO1)C(O)(c1ccccc1)c1ccccc1 25572625 VFWVJXBMQLDVMK-XMMPIXPASA-N 417.505 3.367 0 40 HGAB COc1ccc(Cn2nnnc2[C@@H](C(C)C)N2CCN(c3ccccc3F)CC2)cc1 57671045 SPTMLQGCKPFBGI-JOCHJYFZSA-N 424.524 3.388 0 40 HGAB Cc1ccc(OCCOC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)cc1 10767387 QMMCVAUCPLYXIS-QGZVFWFLSA-N 421.490 3.157 0 40 HGAB C[C@@H](NC(=O)Cc1csc(-c2ccccn2)n1)c1ccc(S(C)(=O)=O)cc1 10968394 NNIOEEKALIAZGN-CYBMUJFWSA-N 401.513 3.029 0 40 HGAB Cn1ccnc1[C@H](NC(=O)COC(=O)c1ccc2ccccc2c1O)c1ccccc1 28936256 GJFRIJBPKHKICZ-OAQYLSRUSA-N 415.449 3.342 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(Oc2ccc(C)cc2)c(NC(=O)COC)c1 12787224 WRNWRBDTCYPPLX-UHFFFAOYSA-N 406.504 3.403 0 40 HGAB CC(C)n1ncc2cc(C(=O)NCc3nnc4ccc(C(F)(F)F)cn34)cnc21 12948706 BFDMKRJSDMVHCC-UHFFFAOYSA-N 403.368 3.004 0 40 HGAB CC[C@H](C)[C@H](NC(=O)NCc1cccc(OC)c1)C(=O)NCc1cccc(OC)c1 13623626 LQTRJBAZANENJI-KKSFZXQISA-N 413.518 3.234 0 40 HGAB COc1ccc(-c2[nH]nc3c2CN(C(=O)/C=C/c2ccc4c(c2)OCO4)CC3)cc1 8914695 AWFZKROZVONSBK-YCRREMRBSA-N 403.438 3.412 0 40 HGAB CCC(=O)N(C)c1nc2ccccc2n(CC(=O)Nc2ccc(C)c(Cl)c2)c1=O 64987573 ZPNOWHWYEXYJTN-UHFFFAOYSA-N 412.877 3.370 0 40 HGAB Cc1cc(-c2nnc(SCC(=O)Nc3ccccc3-c3ccccc3)n2N)[nH]n1 9089251 PQMHJZQYLVFKCE-UHFFFAOYSA-N 405.487 3.088 0 40 HGAB Cc1ccc(SCC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)c(C)c1 6472827 NWAFBINVMFGYLG-UHFFFAOYSA-N 420.556 3.055 0 40 HGAB Cc1sc2nc(CSc3nc(N)nc(-c4cccs4)n3)[nH]c(=O)c2c1C 6584633 NZSFSTRNHQLZKH-UHFFFAOYSA-N 402.530 3.389 0 40 HGAB C[C@@H](NC(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN12)c1ccc(F)c(F)c1 14575146 YYEWUZPGOLHELP-SNVBAGLBSA-N 423.466 3.067 0 40 HGAB CCOc1ccc([C@@H](O)C2CCN(C3=CC(=O)N(c4ccccc4)C3=O)CC2)cc1 4776323 KYYAJDZFCPNFDL-HSZRJFAPSA-N 406.482 3.288 0 40 HGAB COC(=O)c1ccc(COC(=O)c2cccc(CN3C(=O)c4ccccc4C3=O)c2)o1 9283283 DGUAVDYGUIXLLW-UHFFFAOYSA-N 419.389 3.219 0 40 HGAB CCN(Cc1ccccc1)C(=O)[C@@H](C)N1CCC(C(=O)Nc2ccccc2O)CC1 15043590 GYQZXBGSOZIYKD-GOSISDBHSA-N 409.530 3.480 0 40 HGAB CC1CCN(c2cnn(CC(=O)NCCc3ccc(Cl)cc3)c(=O)c2Cl)CC1 67245983 KTVWIJVQPDWVIT-UHFFFAOYSA-N 423.344 3.145 0 40 HGAB COC(=O)c1c(CN(C)[C@H]2CCS(=O)(=O)C2)nc2ccccc2c1-c1ccccc1 15376315 BOAVIZPBCQSBBM-KRWDZBQOSA-N 424.522 3.307 0 40 HGAB O=C(N[C@@]1(C(F)(F)F)CCc2ccccc21)c1cc2c(s1)CCS(=O)(=O)C2 96005887 VGEPVVZZTADXIM-KRWDZBQOSA-N 415.458 3.353 0 40 HGAB NC1=Nc2nc3ccccc3n2[C@H](c2cc(Br)ccc2OC(F)F)N1 7127553 JXIRPCLYUMHNBH-CYBMUJFWSA-N 408.206 3.497 0 40 HGAB O=C(CCN1C(=O)COc2ccccc21)OCc1cc(Cl)c2c(c1)OCCCO2 7224606 SDVIUQUNPFSJOC-UHFFFAOYSA-N 417.845 3.360 0 40 HGAB CN(C)S(=O)(=O)c1ccc(S(=O)(=O)Nc2ccccc2SC(F)F)cc1 16127056 ATVFIPMJQGIFLN-UHFFFAOYSA-N 422.500 3.052 0 40 HGAB O=C(N[C@@H]1CCSc2ccccc21)c1ccc(S(=O)(=O)N2CCCC2)cc1 7974308 QCPDTBZXLYMQKM-GOSISDBHSA-N 402.541 3.438 0 40 HGAB CCCCn1c(=O)[nH]c(=O)c2c1nc(CNc1cccc(F)c1)n2CCC(C)C 7990779 ZGVOVLQSQULKDF-UHFFFAOYSA-N 401.486 3.484 0 40 HGAB C[C@H]1CCN(C(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)c2ccccc2S1 8323830 JFMQNZIPUIOUMW-NPMXOYFQSA-N 421.522 3.297 0 40 HGAB COc1ccccc1-c1ccc2c([C@@H]3CN(Cc4ccoc4)CCN3C)nnn2c1 306124728 BXWDRXTYFIQBIX-NRFANRHFSA-N 403.486 3.487 0 40 HGAB Cc1cc(S(=O)(=O)N2CCc3ccccc32)ccc1OCC(=O)NCCC(C)C 408560134 CCTJIHXCPBYJTP-UHFFFAOYSA-N 416.543 3.288 0 40 HGAB CCN(C(=O)c1ccc(OCC(F)(F)F)nc1)[C@@H]1CCN(c2ccccc2)C1=O 78803104 KWBMIKBAIHZEHV-MRXNPFEDSA-N 407.392 3.290 0 40 HGAB CC(C)(C)OC(=O)NC[C@H]1CCCC[C@@]12NC(=O)N(Cc1cccnc1Cl)C2=O 95405531 ADBHLNSIHWTNQF-JLTOFOAXSA-N 422.913 3.241 0 40 HGAB CC(C)CCN(CCC(C)C)S(=O)(=O)Nc1ccccc1NS(C)(=O)=O 79001775 BWIPTPYSGYSZDD-UHFFFAOYSA-N 405.586 3.109 0 40 HGAB CS[C@H]1CN(C(=O)Cc2csc(COc3ccc(C)cc3)n2)C[C@@H]1N(C)C 89637011 JBAUFOGDFHFJDL-ROUUACIJSA-N 405.589 3.077 0 40 HGAB C[C@H](NC(=O)CN1CCC(N2CCn3ccnc3C2)CC1)c1ccc2ccccc2c1 89905129 FRCZSYJKKOOQIY-IBGZPJMESA-N 417.557 3.194 0 40 HGAB COc1ccc(N([C@H](C)C(=O)NCCSC2CCCCC2)S(C)(=O)=O)cc1 409025260 OSYJMVRWIVSRGY-OAHLLOKOSA-N 414.593 3.032 0 40 HGAB CC(C)Oc1ccc(N(CC(=O)N[C@@H]2CCCc3ccccc32)S(C)(=O)=O)cc1 22397286 XENDDGJRWXFGFV-OAQYLSRUSA-N 416.543 3.434 0 40 HGAB COc1ccc(CCNC(=O)C2CCN(C(=O)c3ccc(C)cc3)CC2)cc1OC 409023599 ZKMYQCLHUAGTRC-UHFFFAOYSA-N 410.514 3.223 0 40 HGAB CS(=O)(=O)N(CC(=O)NCCc1ccccc1)c1cccc(Cl)c1Cl 408913864 UPDRVJRPKHICLM-UHFFFAOYSA-N 401.315 3.118 0 40 HGAB Cn1nc2c(c1O)CN(Cc1cccnc1)CC21CCN(Cc2ccccc2)CC1 306128601 HFWAFBOZQSVRJH-UHFFFAOYSA-N 403.530 3.070 0 40 HGAB Cc1ccc(NC(=O)CSc2nnc(CNC(=O)c3cccc(C)c3)n2C)cc1 409062374 SPNRIXNVXHAHNV-UHFFFAOYSA-N 409.515 3.093 0 40 HGAB COc1ccccc1CNC(=O)CCc1nc(-c2cc3ccc(C)cc3[nH]c2=O)no1 64789910 ABWWMPLWBPAKEG-UHFFFAOYSA-N 418.453 3.144 0 40 HGAB O=C1C[C@@H](C(=O)NCc2cccc(C(F)(F)F)c2)[C@H](c2ccc3c(c2)OCCO3)O1 66088452 WSWIYSMTSMKDLQ-BEFAXECRSA-N 421.371 3.397 0 40 HGAB CCc1cccc(CC)c1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccc(OC)cc2)C1 408663491 YKMTUXJDZSDPLN-GOSISDBHSA-N 424.497 3.355 0 40 HGAB O=C(Nc1ccc(N2CCOCC2)cc1)C1CCN(Cc2nc3ccccc3[nH]2)CC1 38489483 URPNZGGONMBDST-UHFFFAOYSA-N 419.529 3.250 0 40 HGAB Cc1ccc(NC(=O)CSc2nnc(CNC(=O)c3ccccc3)n2C)cc1C 409174212 MDHIMFVJIKVESS-UHFFFAOYSA-N 409.515 3.093 0 40 HGAB CC1CCN(S(=O)(=O)c2cccc(C(=O)Nc3ccc4c(c3)OCO4)c2)CC1 219995747 ARHKWWXMNBYNLZ-UHFFFAOYSA-N 402.472 3.088 0 40 HGAB Cc1cc(NC(=O)[C@@H](C)OC(=O)c2c(Br)c3ccccc3n2C)no1 46410706 BDYJUMIWZLXXOL-SNVBAGLBSA-N 406.236 3.421 0 40 HGAB COc1ccc(-c2nn3c(c2C)NC(=O)C[C@@H]3C(=O)Nc2ccc3c(c2)OCO3)cc1 32092592 NDHXBHWFYPRRJK-MRXNPFEDSA-N 420.425 3.118 0 40 HGAB COc1ccc(-c2noc(CN(C)C(=O)COc3cc(C)ccc3C)n2)c(OC)c1 218953011 BKXQTEVZOCCUCC-UHFFFAOYSA-N 411.458 3.408 0 40 HGAB CC(C)c1ccc(NC(=O)[C@@H]2CC(=O)Nc3[nH]c(N4CCCC[C@H]4C)nc(=O)c32)cc1 139087429 FIPMOWCVNGAYCI-RHSMWYFYSA-N 423.517 3.337 0 40 HGAB Cn1c(=O)n(C)c2cc(CN(CCCn3ccnc3)Cc3ccccc3F)ccc21 43277859 MKAHTMMNRQFQLI-UHFFFAOYSA-N 407.493 3.305 0 40 HGAB Cc1cccc(C2(C(=O)Nc3ccc(OCCN4CCOCC4)cc3)CCOCC2)c1 225566643 DXAZTXCVZBRJMZ-UHFFFAOYSA-N 424.541 3.393 0 40 HGAB COc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)NCc3ccccc3)c2)cc1 224276255 FWZKEUAGFZLKBT-UHFFFAOYSA-N 410.495 3.450 0 40 HGAB CCN(c1ccc(C(=O)NCCCc2cccc(OC)c2)cc1)S(=O)(=O)CC 222399999 NALNPZPIBFHJPW-UHFFFAOYSA-N 404.532 3.234 0 40 HGAB COc1ccc(NC(=O)[C@]2(C)CCCN(c3ccc(OC)cc3)S2(=O)=O)cc1 225951816 ZUGHBBHDYJHOFH-FQEVSTJZSA-N 404.488 3.031 0 40 HGAB Cc1ccn2c(=O)c(C(=O)NCc3ccccc3CN3CCC[C@@H](C)C3)cnc2c1 40112324 MFVQRYMWNOGQJY-GOSISDBHSA-N 404.514 3.165 0 40 HGAB Cc1cc(C(=O)NCCOc2ccc(C(C)(C)C)cc2)ccc1NS(C)(=O)=O 224087884 GKMNKHZHPYQYLM-UHFFFAOYSA-N 404.532 3.473 0 40 HGAB CC[C@@H](NC(=O)CN(Cc1ccccc1)S(C)(=O)=O)c1ccc(OC)c(C)c1 225714188 OZCDKUJRTFCWEG-LJQANCHMSA-N 404.532 3.033 0 40 HGAB Cc1ccc(N(CCCC(=O)NCCOc2ccc(C)cc2C)S(C)(=O)=O)cc1 224629234 MCKYWHQUJYBNFL-UHFFFAOYSA-N 418.559 3.353 0 40 HGAB COC(=O)c1cc(NS(=O)(=O)c2ccc(Cl)c(C(=O)OC)c2)ccc1Cl 223831407 ABJJFVNYECMROG-UHFFFAOYSA-N 418.254 3.367 0 40 HGAB CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc2c(c1)OCCO2 222580268 PBVHYGLZTGDTBB-OAHLLOKOSA-N 416.905 3.207 0 40 HGAB COCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(OC)cc1 223021650 JHKUWMHQNWRDQV-RTWAWAEBSA-N 408.527 3.500 0 40 HGAB O=C(NCc1cccs1)[C@@H]1CN(C(=O)Cc2cccc(F)c2)CC12CCOCC2 96241136 JFGNRAKKTBCMQC-IBGZPJMESA-N 416.518 3.001 0 40 HGAB CCCCc1cc(C(=O)N2CCC[C@@](O)(CN(C)Cc3ccc(F)cc3)CC2)[nH]n1 257318079 VMKKAWZIZXVJND-QHCPKHFHSA-N 416.541 3.381 0 40 HGAB Cc1cc(C)n(CC(=O)N2CCO[C@H](c3cccc(Cc4ccc(F)cc4)n3)C2)n1 257336856 YQHROFHJUQJSQA-QFIPXVFZSA-N 408.477 3.225 0 40 HGAB Cc1ccc(C(=O)Nc2nc3cc(S(C)(=O)=O)ccc3s2)cc1-n1cccn1 257260352 LCMZSRVQHWJILQ-UHFFFAOYSA-N 412.496 3.446 0 40 HGAB COc1ccc(N([C@H](C)C(=O)NC[C@@H](C)c2ccccc2)S(C)(=O)=O)cc1Cl 260844106 FGSYSJGSQSLKBD-HUUCEWRRSA-N 424.950 3.423 0 40 HGAB COc1cc2c(cc1OC)[C@H](c1cccs1)N(CC(=O)NC1CCOCC1)CC2 590293529 ODTFTNPOZJRLFR-JOCHJYFZSA-N 416.543 3.008 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)Nc1cnn(CC2CC2)c1 674378176 WOVJJCXOEBPPJK-UHFFFAOYSA-N 417.535 3.420 0 40 HGAB O=C(NCc1cc(F)cc(Br)c1)NC[C@H]1CCN(CC(F)(F)F)C1 57249358 JWQUUDGOTOAZIE-SNVBAGLBSA-N 412.225 3.272 0 40 HGAB O=C(O)CCC/C=C\C[C]1[C@@H](O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)COc1cccc(Cl)c1 1560411769 ZAHISWMZSBOKRT-UOQPOOBQSA-N 423.913 3.153 0 40 HGAB Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(N3CCCS3(=O)=O)c2)cc1C 5075837 LFWSVBCDQREPEG-UHFFFAOYSA-N 414.936 3.298 0 40 HGAB Cc1ccc(OCc2nc(C(=O)N3CCN(c4nccs4)CC3)cs2)cc1 11187901 JEDZOQJVDLPPBL-UHFFFAOYSA-N 400.529 3.449 0 40 HGAB CN(C)c1nc2ccccc2cc1CN1CCc2c(nc(-c3ccccn3)[nH]c2=O)C1 12120719 HRVTYMBQEGSAPW-UHFFFAOYSA-N 412.497 3.004 0 40 HGAB CC(C)[C@H](NC(=O)c1ccco1)C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 12551935 VYQRLSKYOZCDPL-SFHVURJKSA-N 423.435 3.402 0 40 HGAB C[C@@]1(CN2CCOCC2)COc2c(Br)cc(Br)cc2C1=O 16578159 SHIQWDKVCDDWOV-OAHLLOKOSA-N 419.113 3.125 0 40 HGAB CN(C)c1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2N)cc1 16755720 ZPZKHQFLTKMHOL-UHFFFAOYSA-N 402.911 3.109 0 40 HGAB Cc1cc(C)nc(S[C@H](C)C(=O)N2CCC[C@@H](c3nc(-c4cccnc4)no3)C2)n1 19118822 JKTNPLXWARARNX-NVXWUHKLSA-N 424.530 3.425 0 40 HGAB CCNC(=O)[C@@]1(Cc2ccccc2-c2cccs2)CCCN(C(=O)COC)C1 19528528 VKCHNQJNHBMWTN-JOCHJYFZSA-N 400.544 3.349 0 40 HGAB COc1ccc(-c2nnc3n2[C@@H]2CCCC[C@@H]2N(C(=O)c2ccncc2)C3)cc1OC 19561709 KKNLUGNMMUPEAH-ZWKOTPCHSA-N 419.485 3.497 0 40 HGAB Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)c1cc(Cn2nccc2C)nc2ccccc12 19716428 BSZCQXMQFYHEHL-OAHLLOKOSA-N 416.529 3.499 0 40 HGAB Cc1nc([C@H]2CCCN(C(=O)C3CCN(C)CC3)C2)ncc1C(=O)Nc1ccccc1 19765850 FKZQXFWOFDYPDD-IBGZPJMESA-N 421.545 3.085 0 40 HGAB O=C([C@@H]1Cc2ccccc2CN1S(=O)(=O)c1cccs1)N1CCCCCC1 794038 SVGCHEWEZBDBQU-SFHVURJKSA-N 404.557 3.266 0 40 HGAB O=C(c1noc2c1CCCC2)N1C[C@@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@@H]2C1 1888854237 NGMZVYIXKQMMTI-BETUJISGSA-N 406.408 3.176 0 40 HGAB Cc1ccc(CNC(=O)CCCn2c(=S)[nH]c3cc4c(cc3c2=O)OCO4)cc1 2975226 USGBGXWPPRWQSI-UHFFFAOYSA-N 411.483 3.193 0 40 HGAB CCCCCCn1c(=O)c2c(nc3n(-c4ccccc4F)c(C)c(C)n23)n(C)c1=O 4370557 XDKPXNMDLQNEHN-UHFFFAOYSA-N 411.481 3.475 0 40 HGAB O=C1N(c2ccccc2)[C@@H]2CS(=O)(=O)C[C@H]2N1c1cccc(Br)c1 4393421 BRFOYTWRAVZXFK-HZPDHXFCSA-N 407.289 3.061 0 40 HGAB O=C(NCCc1ccccc1)C(=O)Nc1c2c(nn1-c1ccc(F)cc1)CSC2 4941731 OGCMEVOFQZDRGH-UHFFFAOYSA-N 410.474 3.056 0 40 HGAB CCc1ccc(NC(=O)Cn2nc(NC)c(-c3nc(-c4ccccc4)no3)c2N)cc1 23125684 QDGYFOJDAJLQDP-UHFFFAOYSA-N 417.473 3.425 0 40 HGAB Cc1nc(S(=O)(=O)N2CCC(c3ccc4cc(C5CC5)cnc4n3)CC2)cn1C 1890861019 SHMNEJNXZOPTSL-UHFFFAOYSA-N 411.531 3.117 0 40 HGAB COc1ccc(CCN(C)C(=O)CCc2nc(-c3cccs3)no2)cc1OC 30779802 JVOXOAYDEBQWQI-UHFFFAOYSA-N 401.488 3.449 0 40 HGAB COc1ccc(Br)c(C(=O)NC2CCN(C(=O)c3ccoc3)CC2)c1 31035164 IMAUXVCNHMPIJN-UHFFFAOYSA-N 407.264 3.085 0 40 HGAB O=C(c1cccc(I)c1)N1CCC[C@@H]1c1nnc2ccccn12 31499662 GYRKSUZRMIOMPB-CQSZACIVSA-N 418.238 3.311 0 40 HGAB COc1ccc(OCc2nn3c(COc4ccc5c(c4)OCO5)nnc3s2)cc1 20716580 XDSOEIYGYDZEKL-UHFFFAOYSA-N 412.427 3.081 0 40 HGAB C[C@@H](CCc1ccccc1)Nc1c(N2CCN(c3ccc(F)cc3)CC2)c(=O)c1=O 101703174 FABZZALBVDJZET-KRWDZBQOSA-N 407.489 3.182 0 40 HGAB C[C@@H]1CN(C(=O)c2ccc(NS(=O)(=O)c3cccc(Cl)c3)cc2)C[C@@H](C)O1 631162 ICAYNXBZQNYZLF-ZIAGYGMSSA-N 408.907 3.390 0 40 HGAB Cc1ccc(N2C(=O)C(Cl)=C(Nc3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)cc1 934342 UTIUZAAAOJEBNF-UHFFFAOYSA-N 422.872 3.229 0 40 HGAB COc1cc(C(=O)Nc2ccccc2C(=O)NCc2cccnc2)cc(OC)c1OC 1045534 WZPAZZBZOTVLOC-UHFFFAOYSA-N 421.453 3.290 0 40 HGAB CCn1c(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)nc2ccccc21 1370925 WAWROLBZXUSKFC-UHFFFAOYSA-N 404.923 3.221 0 40 HGAB CCCOC(=O)c1ccc(NC(=S)NC(=O)c2ccc(OC)c(OC)c2)cc1 2064371 YKISDTQNDIGFCC-UHFFFAOYSA-N 402.472 3.397 0 40 HGAB O=C1N[C@@H](CCc2ccccc2)C(=O)N1CCOc1cccc(Br)c1 2644911 UFTUNHLSNIEUIW-KRWDZBQOSA-N 403.276 3.381 0 40 HGAB Cc1c(C(=O)OCC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)oc2ccccc12 3412253 PJYUCEDSYOIXPW-UHFFFAOYSA-N 410.382 3.018 0 40 HGAB CC(C)C[C@H](NC(=O)[C@@H](C)Oc1ccc2c3c(c(=O)oc2c1)CCCC3)C(=O)O 4029919 MPLPGXPNFRRIQN-ACJLOTCBSA-N 401.459 3.055 0 40 HGAB biogenic Cc1ccc(S(=O)(=O)NC(=O)N(Cc2ccc(C)s2)c2cnccn2)cc1 4106043 ZQMIFXJSRLSXAT-UHFFFAOYSA-N 402.501 3.260 0 40 HGAB CCOC(=O)N1CCC(NC(=O)[C@@H](NC(=O)C2CCC(C)CC2)[C@@H](C)CC)CC1 4778576 JWIYPYDSXPJGNL-OLECLDRESA-N 409.571 3.081 0 40 HGAB CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1nnc(C2CC2)s1 4814747 FKXRMQBFZMOQSN-UHFFFAOYSA-N 416.532 3.337 0 40 HGAB COCC(=O)N1c2ncnn2[C@H](c2ccccc2OC)C[C@H]1c1ccc(OC)cc1 4816995 VJHXOQCTLPFANZ-OALUTQOASA-N 408.458 3.009 0 40 HGAB COc1ccccc1NC(=O)C1=C(C)Nc2nnnn2[C@H]1c1ccc(SC)cc1 4879225 FNXWWTANPCUFPM-SFHVURJKSA-N 408.487 3.331 0 40 HGAB O=C(COC(=O)c1c(Cl)cccc1NC(=O)c1ccccc1)Nc1ncccn1 4999438 CKLJALUTEAUZGB-UHFFFAOYSA-N 410.817 3.178 0 40 HGAB Cc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]3[C@H]3CCCN23)cc1 5271754 MQFONYWUEWYXHW-WTGUMLROSA-N 408.885 3.484 0 40 HGAB COc1ccc(C(=O)OCc2nnc(-c3cc(OC)c(OC)c(OC)c3)o2)cc1 6055274 WAEZATGAANYRFV-UHFFFAOYSA-N 400.387 3.128 0 40 HGAB Cc1nnc(SCC(=O)Nc2ccccc2C(=O)NC2CC2)n1-c1ccccc1 6110710 HDGJOKKIDDSEMW-UHFFFAOYSA-N 407.499 3.199 0 40 HGAB COc1ccc(OC)c([C@H]2CCCN2C(=O)CSc2nnc3n2CCCCC3)c1 7280551 QZLMUILCRBWIHL-QGZVFWFLSA-N 416.547 3.478 0 40 HGAB CN(CC(=O)Nc1ccc(F)cc1Cl)CC(=O)Nc1ccc(F)c(F)c1F 7981990 JXYOOCVPSSXVPJ-UHFFFAOYSA-N 403.763 3.405 0 40 HGAB O=C(Nc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1F)c1ccc(Cl)cc1 8810035 YEPLTTFSUMEJAI-AWEZNQCLSA-N 412.870 3.189 0 40 HGAB O=c1c2ncccc2n(Cc2cccc(C(F)(F)F)c2)c(=O)n1Cc1ccncc1 9001670 VSGYYPCPCXWQEB-UHFFFAOYSA-N 412.371 3.069 0 40 HGAB O=C(NCc1ccc(Cl)cc1Cl)[C@H]1CCCN(c2ncnc3[nH]cnc23)C1 9059585 VMXIPMFZSGTSRA-LBPRGKRZSA-N 405.289 3.193 0 40 HGAB O=C(Cn1c2ccccc2c2nc3n(c(=O)c21)CCCS3)NCc1ccc(F)cc1 9130087 KKQMHBRVVPLURU-UHFFFAOYSA-N 422.485 3.303 0 40 HGAB O=C(NCc1ccccc1Cl)C(=O)NC[C@@H](c1ccco1)N1CCc2ccccc21 9708712 UOUXIFLKPCODBI-FQEVSTJZSA-N 423.900 3.469 0 40 HGAB COCCN1C(=O)c2n[nH]c(-c3ccc(OC)cc3)c2[C@@H]1c1ccc(C(=O)OC)cc1 12323729 HHWXSSLFUGGEND-NRFANRHFSA-N 421.453 3.064 0 40 HGAB Cn1ccnc1[C@@H](NC(=O)CCN1C(=O)COc2ccccc21)c1ccc(Cl)cc1 12507810 LDKQBHSGDMJVNJ-NRFANRHFSA-N 424.888 3.095 0 40 HGAB Cc1c(Cl)cccc1N1CCn2c1nc1c2c(=O)n(CCC(C)C)c(=O)n1C 12532153 PFESRCFFRXHZDX-UHFFFAOYSA-N 401.898 3.056 0 40 HGAB O=C(CCC(=O)c1cccs1)NCCC(=O)Nc1ccc2c(c1)OC(F)(F)O2 12796518 BSXPWNBVWCLYJP-UHFFFAOYSA-N 410.398 3.178 0 40 HGAB COc1ccc(Cl)cc1NC(=O)C(=O)NCCc1ccc2c(c1)CCCN2C 13006875 PUQNOXAWXNPUJB-UHFFFAOYSA-N 401.894 3.028 0 40 HGAB CCn1c(CN[C@@H](C)c2ccccc2C)nc2cc(S(=O)(=O)N(C)C)ccc21 13039871 KGVWLFXZNNCSKE-INIZCTEOSA-N 400.548 3.466 0 40 HGAB CCCCn1c(N)c(N(CCC(C)C)C(=O)c2ccc(Cl)cc2)c(=O)[nH]c1=O 13041217 QHHQPYIMBYWDBE-UHFFFAOYSA-N 406.914 3.265 0 40 HGAB COc1cccc(C(=O)Nc2cccc(OCc3cc(=O)n4oc(C)cc4n3)c2)c1 13368506 JYNWLHADPJDSHE-UHFFFAOYSA-N 405.410 3.436 0 40 HGAB Cc1c(NS(=O)(=O)c2ccccc2)cccc1C(=O)NCCN1CCCCC1 13682520 GTOVXBHJFQIIOP-UHFFFAOYSA-N 401.532 3.012 0 40 HGAB CC[C@@H](C(=O)Nc1ccc(Cl)c(C(=O)OC)c1)N(c1ccccc1)S(C)(=O)=O 13711601 GNGRWOLEPFALSL-KRWDZBQOSA-N 424.906 3.310 0 40 HGAB CCS(=O)(=O)c1ccc(NS(=O)(=O)c2ccccc2Br)cc1 14097532 BNHVCWOXMUEOBJ-UHFFFAOYSA-N 404.307 3.044 0 40 HGAB C[C@H](C(=O)OCc1cc(=O)oc2cc3c(cc12)CCC3)n1c(=O)oc2ccccc21 14164582 CCLDXAMAPGUYFB-CYBMUJFWSA-N 405.406 3.494 0 40 HGAB CC[C@@H](NC(=O)CN1C(=O)COc2ccccc21)c1ccc(Br)cc1 14597013 RYZAWWLCWMBHJE-OAHLLOKOSA-N 403.276 3.442 0 40 HGAB CCOC(=O)C1=C(N)Oc2c(c(=O)[nH]c3ccccc23)[C@H]1c1ccccc1OCC 14608294 VGZNVNNBWIXNQG-QGZVFWFLSA-N 406.438 3.185 0 40 HGAB COc1ccc(C(=O)[C@H](C)[C@H]2[C@@H](C(=O)NCc3ccccc3)C(=O)OC2(C)C)cc1 15321488 KKFUILHAZBACCO-XPGWFJOJSA-N 409.482 3.398 0 40 HGAB COc1ccc2c(Cn3nnc(-c4cccc(C(=O)OC(C)C)c4)n3)cc(=O)oc2c1 15546349 VDTWDDPRWFWKKQ-UHFFFAOYSA-N 420.425 3.069 0 40 HGAB O=C(Nc1cccc(Cl)c1)[C@H]1[C@@H]2C(=O)N(CCc3ccccc3)C[C@]23C=C[C@H]1O3 15905368 NXSSGYPVVHRRQW-GLHSZLCASA-N 408.885 3.303 0 40 HGAB COc1ccc(Cl)cc1NC(=O)C(=O)NCC1(c2ccccc2)CCOCC1 16974598 IRYDHJBHEONGJD-UHFFFAOYSA-N 402.878 3.152 0 40 HGAB Cc1cc(-c2cn(CCO)nc2[C@H]2CCCCN2C(=O)Cc2cccc(F)c2)on1 19121317 XHNUMRNUGAINJN-LJQANCHMSA-N 412.465 3.274 0 40 HGAB COCC(=O)N1CC[C@](Cc2cccc(-c3ccc(C)cc3)c2)(C(=O)NC2CC2)C1 19212551 AHCQPZZROPBYDP-RUZDIDTESA-N 406.526 3.348 0 40 HGAB Cc1noc2nc(C3CCN(C(=O)[C@H](C)N4CCCC4=O)CC3)cc(C(F)(F)F)c12 19564451 PYSVADJWIFWCKL-LBPRGKRZSA-N 424.423 3.267 0 40 HGAB COCC(=O)N1C[C@H](c2ccc(F)cc2)[C@H]2CN(Cc3ccccc3F)CC[C@H]21 19592964 JKNHQFQBLXSHBK-KCZVDYSFSA-N 400.469 3.428 0 40 HGAB CCn1cc(CN2CC[C@H](c3nc(N(C)C)ncc3-c3cccc(OC)c3)C2)cn1 19694995 ZWIWUZRRMGVFGO-IBGZPJMESA-N 406.534 3.424 0 40 HGAB C[C@H](Nc1ncc(C(=O)N2CCCC2)c(CCNC2CCOCC2)n1)c1ccccc1 19697261 XVFNOMDTVPAMFV-SFHVURJKSA-N 423.561 3.197 0 40 HGAB NC(=O)c1cncnc1CC1CCN(C(=O)[C@@H](c2ccccc2)C2CCCC2)CC1 19756751 CIWMCQHACXVJNN-QFIPXVFZSA-N 406.530 3.331 0 40 HGAB C[C@H](Sc1nnc(C2CC2)n1C1CC1)C(=O)N1CCN(Cc2ccccc2)CC1 22018331 AIFAPHFEKNXRGS-INIZCTEOSA-N 411.575 3.315 0 40 HGAB C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)N1CCN(C[C@H]2CCCO2)CC1 22056411 NHDGPRQUKLTQJY-NZQKXSOJSA-N 407.558 3.077 0 40 HGAB Cc1nc(C2(NC(=O)c3ccc4c(=O)n5c(nc4c3)CCCCC5)CCCCC2)no1 23507882 ODSKPBYFDIRKFB-UHFFFAOYSA-N 421.501 3.404 0 40 HGAB O=C(Cn1cc(C(F)(F)F)ccc1=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 24993496 DIMIVAWPYVZGQC-INIZCTEOSA-N 422.403 3.392 0 40 HGAB Cc1ccc(NC(=O)CN2CCN([C@@H](C)c3nnc(-c4ccccc4)o3)CC2)cc1 26297112 ZHBMSUOOYUFCSR-SFHVURJKSA-N 405.502 3.362 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)NCCc2ccccc2)c(Cl)c1 28208115 QCEVULAGCMFQLW-UHFFFAOYSA-N 424.950 3.108 0 40 HGAB C[C@@]12CCC(=O)N1c1ccccc1C(=O)N2CC(=O)N[C@H]1CCCc2ccccc21 28431811 QYLCUPIRVQREIM-CYFREDJKSA-N 403.482 3.179 0 40 HGAB Cc1cccc(N2CCN(CCCCNS(=O)(=O)c3ccc(F)c(F)c3)CC2)c1 30361160 UNGWYQCNYKIZBI-UHFFFAOYSA-N 423.529 3.154 0 40 HGAB O=C(Nc1ccc(C(=O)N2CCCN(C(=O)C3CCCC3)CC2)cc1)c1ccco1 30649976 FWPLVBCLULSVLT-UHFFFAOYSA-N 409.486 3.397 0 40 HGAB O=C(c1nn(Cc2ccccc2)c(=O)c2ccccc12)N1CCn2c1nc1ccccc12 30661041 JVUJVMNGQKHGKV-UHFFFAOYSA-N 421.460 3.455 0 40 HGAB CC(C)C[C@H](NC(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O)c1ccccc1 30754219 GXRWHAHJEOYYEV-SFHVURJKSA-N 418.515 3.085 0 40 HGAB COc1ccc(Cl)cc1CN1CCN(C(=O)c2cc3ccccc3oc2=O)CC1 32368424 SNKAGYLTATVPOT-UHFFFAOYSA-N 412.873 3.413 0 40 HGAB CCOC(=O)[C@@H]1CCCN(C(=O)c2ccc(OCc3cscn3)c(OC)c2)C1 40069527 IODUOAFGXYCJNV-OAHLLOKOSA-N 404.488 3.146 0 40 HGAB CN(C)[C@@H](CNC(=O)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1)C1CCCCC1 40104757 SIULCVZBHXJITK-PMACEKPBSA-N 402.539 3.436 0 40 HGAB O=C(NCc1ccccc1Cl)C(=O)NCC1CCN(Cc2ccsc2)CC1 43941009 YWELOIYYXIISAM-UHFFFAOYSA-N 405.951 3.046 0 40 HGAB CCOC(=O)c1ccc(NC(=O)Cn2cnc3c(sc4ccccc43)c2=O)cc1 45942811 MKDJDINFPXHDNQ-UHFFFAOYSA-N 407.451 3.427 0 40 HGAB Cc1nn(-c2ccc(C(=O)N(C)Cc3cnn(C)c3)cc2)c(C)c1Br 46394285 TXDCMAUZYNHOLS-UHFFFAOYSA-N 402.296 3.257 0 40 HGAB CCN(CC)CCn1c(NC(=O)c2csc(-c3cnn(C)c3)n2)nc2ccccc21 48354468 MCOUHXZQEYNWJM-UHFFFAOYSA-N 423.546 3.487 0 40 HGAB CCOc1ccc(C(=O)NCCN2CCN(c3ccccc3F)CC2)cc1OCC 56997440 MAJVJOLNUPGXPD-UHFFFAOYSA-N 415.509 3.175 0 40 HGAB COc1ccc(S(=O)(=O)N(C)c2ccc(Br)cc2F)cc1C(=O)O 57123502 MQZRGBSZCUSMMM-UHFFFAOYSA-N 418.240 3.120 0 40 HGAB O=C(COC(=O)c1ccc(Br)o1)NCc1cccc(Br)c1 67197603 HLQJGHIJIBADBN-UHFFFAOYSA-N 417.053 3.278 0 40 HGAB Cc1c(C(=O)Nc2ccc(F)c(F)c2)nnn1CC(=O)Nc1ccccc1Cl 71327383 SPPFJBGNXXMXLL-UHFFFAOYSA-N 405.792 3.409 0 40 HGAB Cn1nc(C(C)(C)C)cc1C(=O)N1CCC2(CC1)C[C@@](O)(c1ccc(F)cc1)CO2 72335659 SYLWHFKQAZBHQE-QHCPKHFHSA-N 415.509 3.140 0 40 HGAB NC(=O)C1(Cc2ccccc2-c2cccs2)CCN(C(=O)c2cnccn2)CC1 72345073 BLXOSVDEWAKTGP-UHFFFAOYSA-N 406.511 3.156 0 40 HGAB Nc1ncc(-c2cccc(F)c2)c([C@H]2CCCN(CC(=O)Nc3nccs3)C2)n1 72345967 AQOZMSLYMPJOBO-AWEZNQCLSA-N 412.494 3.140 0 40 HGAB CCn1nc(C)c(-c2cc(C(=O)NCCn3ccc4cc(OC)ccc43)n[nH]2)c1C 95472841 OQNNRBOZKRGALF-UHFFFAOYSA-N 406.490 3.303 0 40 HGAB CNS(=O)(=O)c1ccc(NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)nc1 96006654 YWZPQTUZVBJFSU-IBGZPJMESA-N 413.524 3.462 0 40 HGAB O=C(Nc1ccc(N2CCOCC2)cc1)[C@H]1CC2(CCNCC2)Oc2ccccc21 96156834 RCDKJOMJEQABOA-NRFANRHFSA-N 407.514 3.150 0 40 HGAB O=S(=O)(C[C@H]1CCCN1S(=O)(=O)c1cccc2ccccc12)c1ccccc1 96366993 YNFQGMWPFJLALT-GOSISDBHSA-N 415.536 3.467 0 40 HGAB CSCC[C@H](C(=O)Nc1cccc(C(C)=O)c1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 101403609 YJUNABWBIVRHDU-OKZBNKHCSA-N 402.516 3.125 0 40 HGAB O=C(/C=c1/[nH]c(=O)/c(=C\c2cccc(OCc3ccccc3)c2)s1)c1ccco1 105631238 LJAIXFUAUHWHQW-MGAWAESESA-N 403.459 3.101 0 40 HGAB CCOc1ccc(CNC(=O)[C@@H](CC)N(c2ccc(C)cc2)S(C)(=O)=O)cc1 113950244 LQSRWVGVXOVHEZ-HXUWFJFHSA-N 404.532 3.255 0 40 HGAB CCOc1cccc(CNC(=O)[C@H](C)N(c2cc(C)cc(C)c2)S(C)(=O)=O)c1 216312571 LVWLBGLTSVEDPC-KRWDZBQOSA-N 404.532 3.173 0 40 HGAB CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccccc1 223661657 FMOUTBOPARBGRK-NHCUHLMSSA-N 406.511 3.408 0 40 HGAB COC(=O)CN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 224710652 ZLPQPBKJWSXVPY-UHFFFAOYSA-N 404.271 3.370 0 40 HGAB COC(=O)CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccc(OC)cc1 224867497 NZWPVHFQNPTDLY-UHFFFAOYSA-N 404.271 3.370 0 40 HGAB Cc1nn(C)c(C)c1/C=C1/SCCN1C(=O)c1cn2c3c(cccc3c1=O)CC2 225245334 UEZHUZJBHBMLAT-YBFXNURJSA-N 406.511 3.096 0 40 HGAB CCc1ccc(CC)c(CNC(=O)CN(c2cc(C)ccc2OC)S(C)(=O)=O)c1 225373086 PGJJSUHMFMYJOH-UHFFFAOYSA-N 418.559 3.211 0 40 HGAB CCCOc1ccccc1CCCNC(=O)[C@@H](c1ccccc1)N(C)S(C)(=O)=O 225456474 STSSBVJRYIQHBZ-OAQYLSRUSA-N 418.559 3.157 0 40 HGAB Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NCC(C)(C)C)cc1 226079669 XFCNKQAONVTEJW-UHFFFAOYSA-N 402.560 3.391 0 40 HGAB CCOC(=O)[C@]1(CN)[C@H](c2ccc(C)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 242592201 OMBKGVQRHQKMII-QWFCFKBJSA-N 407.919 3.096 0 40 HGAB O=C(N[C@@H]1CCC[C@@H](Oc2ccccc2)[C@@H]1O)c1cccc(Br)c1O 257205994 BBKLREMFSYBIRB-JFIYKMOQSA-N 406.276 3.246 0 40 HGAB FC(F)(F)c1cccc(OCCc2cc([C@H]3CN(Cc4ncc[nH]4)CCO3)n[nH]2)c1 257268986 MOBVOSFPDFHUKP-GOSISDBHSA-N 421.423 3.347 0 40 HGAB COCCCN1C(=O)S/C(=C/c2cc(Br)cc(OC)c2O)C1=O 409230814 FWHXYZJKKAIWBL-KPKJPENVSA-N 402.266 3.236 0 40 HGAB C[C@@H](Oc1cccnc1)C(=O)Nc1cccc(NC(=O)[C@@H](C)Oc2cccnc2)c1 508302880 MAAVHDPMAJHSND-HZPDHXFCSA-N 406.442 3.289 0 40 HGAB CC(C)c1ccc(S(=O)(=O)N(Cc2ccccc2)[C@@H]2CCS(=O)(=O)C2)cc1 575425083 XCFMYNWHQGRFLE-LJQANCHMSA-N 407.557 3.188 0 40 HGAB CCOc1ccc(S(=O)(=O)NCc2nc(C3CCC(F)(F)CC3)no2)cc1F 575616186 IRIOVDVBDDGSGK-UHFFFAOYSA-N 419.425 3.379 0 40 HGAB C[C@H](c1ccccc1)N1C[C@]2(COCCN(c3ncnc4ccccc34)C2)CC1=O 585103764 GJDBJNHMNSSANE-KOSHJBKYSA-N 402.498 3.446 0 40 HGAB O=C(NCc1ccccc1OC(F)(F)F)[C@H]1CCCN(c2cc3c(nn2)CCC3)C1 585150594 WETWMXWFOVGEIP-INIZCTEOSA-N 420.435 3.397 0 40 HGAB CC(C)Oc1ccc(Cl)cc1C(=O)N1CCC(CNC(=O)c2cnn(C)c2)CC1 589847195 NBCMSFAGOOHNSF-UHFFFAOYSA-N 418.925 3.143 0 40 HGAB Cc1cc(CNC(=O)c2ccc([C@@H](C)[C@@]3(C)C(=O)Nc4ncccc43)cn2)cc(C)n1 675082873 WQXXSWMOMAJOJG-VOIUYBSRSA-N 415.497 3.432 0 40 HGAB CSc1ccc(-c2noc(Cn3c(=O)n(C4CC4)c(=O)c4ccccc43)n2)cc1 824935519 PUQQVNQEEDMEIL-UHFFFAOYSA-N 406.467 3.318 0 40 HGAB CC(=O)Nc1cccc([C@@H]2CN(Cc3ncccc3C)C[C@]23CCCCC(=O)N3)c1 1615155273 KOUKYYNENWNHQP-XUZZJYLKSA-N 406.530 3.377 0 40 HGAB Cc1cc(S(=O)(=O)N2CC3(C[C@@H](NCC4CC4)CS3)C2)c(C)cc1Cl 2056223745 DDVCNCBJFDQWBW-OAHLLOKOSA-N 400.997 3.205 0 40 HGAB CCOCCCNC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccccc1 2093658 BCOXJAWQSATERM-UHFFFAOYSA-N 404.532 3.042 0 40 HGAB CN(C)CCCn1c(=O)n(Cc2ccccc2)c(=O)c2c3c(sc21)CCCCC3 2359807 ZUCPXWZQMJZXPW-UHFFFAOYSA-N 411.571 3.494 0 40 HGAB CCOC(=O)Cc1csc(S[C@@H](C)C(=O)Nc2ccc(NC(C)=O)cc2)n1 3333565 YWGOFHSHGDFTFY-NSHDSACASA-N 407.517 3.326 0 40 HGAB CC1CCC(C(=O)N[C@@H](C(=O)N2CCN(c3ccc(F)cc3)CC2)C(C)C)CC1 4747597 YLTJMWVFRKKVRE-WIXQSORDSA-N 403.542 3.441 0 40 HGAB Cc1cc(C)n2nc(C(=O)N[C@H](Cc3ccccc3)c3nc4ccccc4[nH]3)nc2n1 5988364 JLXHXYSFDLDLLG-LJQANCHMSA-N 411.469 3.331 0 40 HGAB COCCn1c(S[C@H](C)C(=O)Nc2ccc(Cl)cn2)nnc1-c1ccncc1 6861935 YYRFWOSFQDKFNM-GFCCVEGCSA-N 418.910 3.154 0 40 HGAB CC(C)(C)c1ccc([C@]2(C)NC(=O)N(Cc3cc(=O)n4ccsc4n3)C2=O)cc1 7063095 IPIHIHPYCGHURH-NRFANRHFSA-N 410.499 3.021 0 40 HGAB CC1CCN(S(=O)(=O)c2ccc(C(=O)OC[C@H]3CC3(Cl)Cl)cc2)CC1 7210747 NENMJEDYFNOUFQ-CQSZACIVSA-N 406.331 3.458 0 40 HGAB Cc1ccc(-c2nc(Cn3cc(S(=O)(=O)N4CCCC4)ccc3=O)cs2)cc1 7467466 UHJYXEXANXJIOC-UHFFFAOYSA-N 415.540 3.113 0 40 HGAB C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)c1ccc(CNC(=O)C(C)(C)C)s1)C2=O 8313260 WKCHPZJJINFYIB-YEJXKQKISA-N 419.547 3.094 0 40 HGAB C[C@]1(c2cc3ccccc3o2)NC(=O)N(CC(=O)N2CC[C@H]3CCCC[C@@H]3C2)C1=O 8328694 XSOTUYNKPZRQEI-QDOIMOTRSA-N 409.486 3.239 0 40 HGAB CC(=O)Nc1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccc(C)cc2C)cc1 8414575 DYPQAANZVGFYAW-UHFFFAOYSA-N 411.458 3.162 0 40 HGAB CCOc1ccc(NC(=O)CCCC(=O)OCC(=O)Nc2cccc(OC)c2)cc1 8433460 RLIGTUKAJMHQFJ-UHFFFAOYSA-N 414.458 3.385 0 40 HGAB COc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(SC)cc3)CC2)cc1 8499668 XQMYYHUUEJKEKN-UHFFFAOYSA-N 420.556 3.457 0 40 HGAB Cc1ccc(N2C(=O)C[C@@H](C(=O)OCC(=O)NCC(C)C)[C@H]2c2cccs2)cc1 8923983 JUPZNEXOXPFUMV-UTKZUKDTSA-N 414.527 3.466 0 40 HGAB COc1cc([C@H]2CC(=O)Nc3nc(C)[nH]c(=O)c32)ccc1OCc1ccccc1F 8995353 TVEOAEXRZXAUGM-OAHLLOKOSA-N 409.417 3.279 0 40 HGAB CCOc1ccc(N2C[C@@H](C(=O)Nc3ccccc3C(=O)NCC(C)C)CC2=O)cc1 9226241 QXFBDPZLODGPDV-KRWDZBQOSA-N 423.513 3.463 0 40 HGAB CC(C)CCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1c(Cl)cccc1Cl 9424056 YYTGQLRBUBAUDQ-UHFFFAOYSA-N 424.332 3.247 0 40 HGAB COc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1I 9907594 PPEDKOWYQMISCP-UHFFFAOYSA-N 417.268 3.121 0 40 HGAB CCOc1ccc(C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)s2)cc1 9963156 KIDKAJJHELCXIA-UHFFFAOYSA-N 408.545 3.251 0 40 HGAB COc1ccc(N([C@@H](C)C(=O)Nc2cccc(F)c2)S(C)(=O)=O)cc1Cl 10434124 BPHQYAWQYFQGRL-NSHDSACASA-N 400.859 3.281 0 40 HGAB O=C(NCc1ccc(C(=O)N2CCCCC2)cc1)c1cncc(Br)c1 10460430 HEYIPDILCWEDFS-UHFFFAOYSA-N 402.292 3.400 0 40 HGAB COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=S)N[C@H]1c1cnn(-c2ccccc2)n1 11560432 KKQBPFAQBFZXLX-IBGZPJMESA-N 423.473 3.289 0 40 HGAB COc1ccc(-c2noc(C(=O)NCc3ccc(Br)o3)n2)cc1OC 12371367 VYVWOHZVOKRYCZ-UHFFFAOYSA-N 408.208 3.039 0 40 HGAB O=C(c1ccc(F)cc1Cl)N1CCC(NS(=O)(=O)c2cccs2)CC1 12745020 OSVMESUFHOBQNH-UHFFFAOYSA-N 402.900 3.124 0 40 HGAB CN1CCCN(C(=O)CCNC(=O)c2ccc(Cl)cc2)c2nc3ccccc3nc21 12746788 RQFHRSCRERWAML-UHFFFAOYSA-N 423.904 3.276 0 40 HGAB CCOC(=O)NC(=O)COC(=O)c1cc2c(C)nn(-c3ccc(Cl)cc3)c2s1 12811084 AKFUGRFYPRWPRC-UHFFFAOYSA-N 421.862 3.478 0 40 HGAB Cc1ccc(C(=O)[C@H](C)OC(=O)c2cccc(N3CCCS3(=O)=O)c2)cc1C 12888531 KZXFFGQAMSKSFI-INIZCTEOSA-N 401.484 3.272 0 40 HGAB CCC(=O)N(c1nnc(SCC(=O)Nc2ccnn2C2CCCC2)s1)C1CC1 12983377 SBOMADANTJHCTO-UHFFFAOYSA-N 420.564 3.486 0 40 HGAB C[C@H]1C[C@H](C)CN(CC(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2Cl)C1 13057187 HRHJJMMCAAUVBS-GJZGRUSLSA-N 413.971 3.041 0 40 HGAB Cc1ccccc1N(CC(=O)NC[C@@H]1CCCO1)S(=O)(=O)c1ccc(Cl)cc1 14154362 NQGKXBUNJDZVEK-KRWDZBQOSA-N 422.934 3.139 0 40 HGAB COc1ccccc1CN(C)C(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1 14869905 HVODJWZTMXNYAM-UHFFFAOYSA-N 416.543 3.450 0 40 HGAB Cc1nn(C(=O)c2ccc(OC(C)C)cc2)c(C)c1S(=O)(=O)N1CCC(C)CC1 16976169 XOZDVQZQZIOMGM-UHFFFAOYSA-N 419.547 3.396 0 40 HGAB COc1ccc(CN(C)C(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc1 17797124 AVLGRUAHFAGVCD-UHFFFAOYSA-N 411.527 3.463 0 40 HGAB CCN1CCN(C(=O)c2ccccn2)C[C@H](Cc2cccc(-c3ccncc3)c2)C1=O 19527593 XZDLZCBJBFJPCI-QFIPXVFZSA-N 414.509 3.307 0 40 HGAB O=C(COc1ccc(S(=O)(=O)N2CCCC2)cc1)N[C@H]1CCCc2ccccc21 20019042 SHKRZDPKLXITPX-NRFANRHFSA-N 414.527 3.044 0 40 HGAB Cc1ccc2c(c1)C(=O)N(CCC(=O)OCC(=O)Nc1cccc(Cl)c1C)C2=O 25084481 UMJYNPLKVPVVKM-UHFFFAOYSA-N 414.845 3.125 0 40 HGAB CC(=O)c1cccc(OC[C@H](O)CN2CCN(Cc3ccc(Cl)s3)CC2)c1 25230505 KXEVWIWDVREAQS-QGZVFWFLSA-N 408.951 3.162 0 40 HGAB COC(=O)c1ccc(CS(=O)(=O)NCCSCc2ccc(Cl)cc2)cc1 30863750 GHKHAFRMNYMVFC-UHFFFAOYSA-N 413.948 3.479 0 40 HGAB Cc1cc(C)cc(-n2c(SCC(=O)Nc3nnc(C)o3)nc3ccccc3c2=O)c1 31840966 DBRCNZUELFBBNW-UHFFFAOYSA-N 421.482 3.425 0 40 HGAB CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H]2c2ccc(OCC)cc2)c1 32820992 WURJBCBDVQYCJM-HXUWFJFHSA-N 402.516 3.361 0 40 HGAB CC(C)c1ccccc1NC(=O)CSc1nc2cc(S(N)(=O)=O)ccc2n1C 32946749 GMWQWFUMNKPCRK-UHFFFAOYSA-N 418.544 3.075 0 40 HGAB CC(C)[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NCc1nc2ccccc2s1 36621816 NPNHRSMWSSTTSB-SFHVURJKSA-N 421.519 3.055 0 40 HGAB CCN(CC)c1nc2sc(C(=O)NC[C@@H](C)N3C[C@H](C)O[C@H](C)C3)cc2s1 39563681 XOTMPPLPIUVYMK-MCIONIFRSA-N 410.609 3.432 0 40 HGAB O=C(CCCC(=O)N1CCN(c2ccccn2)CC1)Nc1nc2ccccc2s1 40266872 MCVHVOBXOWKZST-UHFFFAOYSA-N 409.515 3.149 0 40 HGAB O=C1CC[C@@]2(C(=O)Nc3ccc(OC(F)(F)F)cc3)N=C(O)c3ccccc3N12 40267046 VMXRTHARISZQLW-GOSISDBHSA-N 405.332 3.365 0 40 HGAB CS(=O)(=O)N1CCC[C@@H](C(=O)Nc2cccc(C3SCCCS3)c2)C1 44389873 YZPSTWFWYJAIRM-CQSZACIVSA-N 400.591 3.165 0 40 HGAB CCc1ccccc1NC(=O)Cn1c(=O)n(-c2ccccc2)c(=O)c2sccc21 57428749 CLLYNYBZRIDIMI-UHFFFAOYSA-N 405.479 3.415 0 40 HGAB Cc1ccc(C)c(-n2c(=O)c3sccc3n(CC(=O)Nc3ccccc3)c2=O)c1 57492630 WXEGSBLORFQFDN-UHFFFAOYSA-N 405.479 3.469 0 40 HGAB CC(=O)N[C@H](CC(=O)N(c1ccc(S(C)(=O)=O)cc1)C(C)C)c1cccs1 58226919 PPMARDPZRVVYBA-QGZVFWFLSA-N 408.545 3.161 0 40 HGAB CC(=O)c1ccc(N2CCN(C(=O)NCCCn3cnc4ccccc43)CC2)c(F)c1 58436596 XVQVPGALXCXUHC-UHFFFAOYSA-N 423.492 3.300 0 40 HGAB Cc1cccc(C(=O)N2CCCC2)c1NC(=O)N[C@H](Cn1cncn1)c1ccccc1 65563709 JALLILQCUFVRFS-HXUWFJFHSA-N 418.501 3.386 0 40 HGAB O=C(NCc1ccc(OC(F)(F)F)cc1)C1CN(C(=O)c2ccc(F)c(F)c2)C1 70655770 VHPCEJOUPVQDPU-UHFFFAOYSA-N 414.330 3.252 0 40 HGAB Cn1cc(C(=O)NCc2ccccc2)c(CC2CCN(C(=O)C3CCCC3)CC2)n1 72352143 PCENMHAAAHTPKX-UHFFFAOYSA-N 408.546 3.321 0 40 HGAB Cc1cccnc1Nc1cccc([C@H]2CCCN2S(=O)(=O)c2c(C)n[nH]c2C)n1 72375838 HPRDOVXDPODGBM-QGZVFWFLSA-N 412.519 3.394 0 40 HGAB COc1cccc(-c2cnc(N)nc2[C@H]2CCCCN2CC(=O)Nc2nccs2)c1 72376870 BXBFKFRBBDMGAC-QGZVFWFLSA-N 424.530 3.357 0 40 HGAB O=S(=O)(c1ccc(F)c(Cl)c1)N1CCC[C@H](c2nnc(C(F)(F)F)o2)C1 77198136 HOFRCIBXCZHKFU-QMMMGPOBSA-N 413.780 3.449 0 40 HGAB COc1cccc([C@@H](CNC(=O)c2ccc3nnc(C(F)F)n3c2)N2CCCC2)c1 83970545 ARJMOUFHYFQGBC-QGZVFWFLSA-N 415.444 3.242 0 40 HGAB COc1cccc(CN2CC[C@@H]3CN(CCc4ccccc4)S(=O)(=O)[C@@H]3CC2)c1 96145488 XNEXUAQZNKVVNE-FYYLOGMGSA-N 414.571 3.164 0 40 HGAB COC(=O)[C@@H](NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc(F)c(Cl)c1)C(C)C 96791777 GOURJLVEOCLTSZ-RDJZCZTQSA-N 408.861 3.057 0 40 HGAB CC[C@@]1(c2ccc(NC(=O)c3ncc(Br)s3)cc2)CCC(=O)NC1=O 97105669 MHBQCAUHSFZCEC-KRWDZBQOSA-N 422.304 3.242 0 40 HGAB O=C(CCC(=O)N1CCN(c2cccc(Cl)c2)CC1)NC[C@H]1C[C@H]2C=C[C@H]1C2 101371916 VJRHGAGTROIVNG-OKZBNKHCSA-N 401.938 3.097 0 40 HGAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)NC(=O)CSc1nnnn1-c1ccc(Cl)cc1 102386083 IKIMOJPKUURAHF-TYNCELHUSA-N 422.942 3.058 0 40 HGAB Cc1ccc2cc(COC(=O)CN3C(=O)[C@H]4CCCC[C@H]4C3=O)c(Cl)nc2c1 102591520 RFGQDEVNAXWYMS-IYBDPMFKSA-N 400.862 3.415 0 40 HGAB Oc1nnc(-c2ccccc2)c2c1Nc1nnnn1[C@H]2c1cccc(Br)c1 112000251 QPMJRTOZNVHKTM-INIZCTEOSA-N 422.246 3.293 0 40 HGAB CCOC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]23CC[C@]2(O)C[C@H](OC(C)=O)CC[C@]12CO3 118939761 BRGAXZGYAVEDMI-OJIDRQPOSA-N 420.546 3.388 0 40 HGAB CC(=O)c1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3)C2)cc1 138675881 MZDRKFVVOMDASI-HNNXBMFYSA-N 414.845 3.077 0 40 HGAB CCCCOC(=O)c1ccc(NS(=O)(=O)c2ccc(/C=C/C(=O)NC)cc2)cc1 223292868 NCBOLJPWSLCNII-VGOFMYFVSA-N 416.499 3.204 0 40 HGAB Cc1ccc(C)c(OCCNC(=O)[C@@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)c1 223999653 ZINPARSMHBNDDJ-MRXNPFEDSA-N 424.950 3.307 0 40 HGAB CCCCOc1ccc(S(=O)(=O)NCc2ccnc(N3CCCCC3)n2)cc1 224212378 MIFFSBQHHZEFHZ-UHFFFAOYSA-N 404.536 3.124 0 40 HGAB CS(=O)(=O)Nc1ccc(C(=O)NCCOc2ccccc2Cl)c(Cl)c1 224406066 ARXCNPQCWGRZIS-UHFFFAOYSA-N 403.287 3.174 0 40 HGAB O=C1CCCN1c1ccc(NC(=S)NCc2cccc(N3CCCC3=O)c2)cc1 225646992 VGPRXAUDCYQDME-UHFFFAOYSA-N 408.527 3.427 0 40 HGAB COc1cccc(-c2noc(CNC(=S)Nc3ccc(N4CCCC4=O)cc3)n2)c1 225822788 UQSPVGXBECOMOF-UHFFFAOYSA-N 423.498 3.359 0 40 HGAB CC(=O)N1CCC(C(=O)N2CCC[C@H](c3ncc(Cc4cccc(F)c4)o3)C2)CC1 257245148 IOGCQXAZGIIPJZ-IBGZPJMESA-N 413.493 3.369 0 40 HGAB COc1ccc(Nc2cc(C)nc([C@H]3CCCN(C(=O)CN4CCCC4=O)C3)c2)cc1 257247856 JAWJDLMRZWZKDK-SFHVURJKSA-N 422.529 3.471 0 40 HGAB Cc1nc2c(C)cccn2c1CN1CCO[C@H](c2cccc(-c3cnn(C)c3)n2)C1 257299019 ROJVTCBARJIGFA-QFIPXVFZSA-N 402.502 3.320 0 40 HGAB O=C(CCc1ccccc1F)N1CCO[C@@H](c2cccc(Nc3cnccn3)n2)C1 257313047 UQUASUCMFXJJHM-LJQANCHMSA-N 407.449 3.287 0 40 HGAB C[C@@H](C(=O)N[C@H](C)c1ccc2c(c1)CCC2)N(c1ccc(F)c(F)c1)S(C)(=O)=O 260930927 LGKXQHXLUBERHH-KGLIPLIRSA-N 422.497 3.485 0 40 HGAB CCOc1ccc(Cc2cc([C@@H]3O[C@H](SC)[C@@H](O)[C@@H](O)[C@H]3O)ccc2Cl)cc1 299754559 QKDRXGFQVGOQKS-HGJUEJDCSA-N 424.946 3.173 0 40 HGAB COc1ccc(NC(=O)c2nnc3n2C[C@H]2CN(Cc4sccc4C)C[C@@H]2C3)cc1 306129323 IAPYCKYCWPMVEG-JKSUJKDBSA-N 423.542 3.213 0 40 HGAB Cc1ncsc1C(=O)N[C@H]1CCCC[C@@]12CN(Cc1cnn(C(C)C)c1)CCO2 306129550 IGTOVVINPFXFGV-GHTZIAJQSA-N 417.579 3.173 0 40 HGAB C[C@H](c1ccccc1)N1C[C@H](C(=O)N2CC[C@@H](n3ncc4ccccc43)C2)CC1=O 510912536 MKDVGBOXMUOHRT-DUXKGJEZSA-N 402.498 3.419 0 40 HGAB COCCn1ccc2c(NC(=O)c3c(-n4cnnn4)sc4c3CCC4)cccc21 524733781 OGJUJNOJKDCMNP-UHFFFAOYSA-N 408.487 3.066 0 40 HGAB COC(=O)c1ccc(OC)c(S(=O)(=O)N[C@H](C)Cc2cc3ccccc3o2)c1 575415639 LJBMPXOTNQOMBA-CYBMUJFWSA-N 403.456 3.138 0 40 HGAB O=C1COc2ccc(C(=O)N3CCCC4=C[C@H]5C[C@@H](CN6CCCC[C@@H]56)[C@H]43)cc2N1 604404059 AQGXPEQKXOPOBJ-JPPTWICTSA-N 407.514 3.053 0 40 HGAB biogenic COc1cc2c(cc1OC)-c1cc(NC3CC(C)(C)NC(C)(C)C3)nc(=O)n1CC2 2450139 MTUURDUNQJTNNA-UHFFFAOYSA-N 412.534 3.205 0 40 HGAB Cn1c(SCC(=O)NC(=O)Cc2ccccc2)nnc1-c1ccc(Cl)cc1 2625598 ZYARZRCGNPQKII-UHFFFAOYSA-N 400.891 3.113 0 40 HGAB CCOC(=O)c1c(NC(=O)COC(=O)c2ccc(OC)cc2)sc2c1CCC2 3391931 NDHKFMXKZNGNDE-UHFFFAOYSA-N 403.456 3.218 0 40 HGAB CCOC(=O)C1(c2ccccc2)CCN(C[C@H](O)c2ccc(NC(C)=O)cc2)CC1 4429976 BGWZZQHBKDDJJE-QFIPXVFZSA-N 410.514 3.275 0 40 HGAB Cc1cc(O)c(-c2[nH]nc3c2[C@@H](c2ccccc2F)N(CCO)C3=O)cc1Cl 5343748 FSORTSWYVBZPRE-LJQANCHMSA-N 401.825 3.421 0 40 HGAB Cc1ccc(C2=NN(C(=O)CN3C(=O)[C@H]4CC=CC[C@H]4C3=O)[C@H](c3ccco3)C2)cc1 6360019 FDMNLQOYEUXJEF-NSHGMRRFSA-N 417.465 3.217 0 40 HGAB CCc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3cc(F)ccc3F)CC2=O)cc1 6947442 QZUYOXNNGJMWDM-CQSZACIVSA-N 402.397 3.062 0 40 HGAB Cc1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4cccnc4)C3=O)c2C)c1 6967813 MPBUSRKVJVWGJM-UDWIEESQSA-N 400.438 3.464 0 40 HGAB COc1ccc(C(=O)NCC(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1 8086413 UMVUXVHCKOJPKP-UHFFFAOYSA-N 409.511 3.441 0 40 HGAB COc1ccc2nc(NC(=S)NC(=O)c3c(OC)cccc3OC)sc2c1 8166317 AWXIPIOQADUYSY-UHFFFAOYSA-N 403.485 3.449 0 40 HGAB CCCn1c(SCC(=O)Nc2cccc(NC(C)=O)c2)nc2ccccc2c1=O 8195090 BRUKXENYVLBASM-UHFFFAOYSA-N 410.499 3.496 0 40 HGAB CC(C)(C)c1ccc(-c2cn(C[C@H]3C[C@H]4CCN3C[C@@H]4C(=O)NC3CC3)nn2)cc1 8299316 JWMPKVTVDWZPQJ-UIFIKXQLSA-N 407.562 3.232 0 40 HGAB biogenic,in-vitro CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)CCCOc1ccc(OC)cc1 8316699 UEIXFSBHXACSAT-UHFFFAOYSA-N 417.458 3.402 0 40 HGAB CCC[C@H](C)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1 8345786 KWTCHICBROPOJB-KRWDZBQOSA-N 423.579 3.073 0 40 HGAB CCS(=O)(=O)c1ncc(Cl)c(C(=O)N(Cc2ccccc2)c2ccccn2)n1 8845977 XJVNBQROPREUQW-UHFFFAOYSA-N 416.890 3.166 0 40 HGAB Cc1ccc(N2C[C@@H](CNS(=O)(=O)c3ccccc3C(F)(F)F)CC2=O)cc1 9037093 ALUBNPYZBLPGFD-CQSZACIVSA-N 412.433 3.345 0 40 HGAB COc1ccc(Br)c(C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)c1 9317126 AYYUZXNFFKDIIV-UHFFFAOYSA-N 417.181 3.244 0 40 HGAB O=C(Cn1ccn2nc(-c3ccc(Cl)cc3)cc2c1=O)NCCc1ccccc1 9327596 AKVNITHYISHCQX-UHFFFAOYSA-N 406.873 3.175 0 40 HGAB CCCCN1C(SCC(=O)NCc2cccs2)=NS(=O)(=O)c2ccccc21 9530366 GOFRQNJUCYSVLN-UHFFFAOYSA-N 423.585 3.463 0 40 HGAB CCOC(=O)c1c(-c2cccs2)csc1NC(=O)COC(=O)C1=COCCO1 9634608 WVXDKFKFTWBEJT-UHFFFAOYSA-N 423.468 3.023 0 40 HGAB CS(=O)(=O)c1ccccc1C(=O)Nc1nc(-c2ccc3c(c2)OCCO3)cs1 9712670 WEGCAKCYMMYSKQ-UHFFFAOYSA-N 416.480 3.237 0 40 HGAB Cc1cn2c3c(=O)n(Cc4ccccc4)c(=O)n(C)c3nc2n1[C@@H](C)c1ccccc1 10103816 PJYQFKVZLPMPBV-KRWDZBQOSA-N 413.481 3.115 0 40 HGAB C[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)Nc1ccccc1Cl 10127430 GRQJJBZMPXLDIK-JTQLQIEISA-N 417.712 3.408 0 40 HGAB CC[C@@H]1CCCCN1CCCNS(=O)(=O)c1ccc(OC)c(Br)c1 10544214 VVYDIVOSYNQNDI-CQSZACIVSA-N 419.385 3.391 0 40 HGAB COc1cc([C@@H]2[C@H](C(=O)Nc3ccc(Cl)cc3)[C@@H](C)Nc3ncnn32)ccc1O 11694872 AXBUNIMTJDZABI-HWOJHCLVSA-N 413.865 3.304 0 40 HGAB Cc1c(CN2CCc3c(nc(N4CCC[C@@H](C)C4)[nH]c3=O)C2)[nH]c2ccc(F)cc12 12184780 BLVPILPYUBVKCQ-CQSZACIVSA-N 409.509 3.493 0 40 HGAB Cc1ccc(Oc2cc(N3CCN(S(=O)(=O)c4ccccc4)CC3)nc(C)n2)cc1 12225117 NBVPPASUEACECE-UHFFFAOYSA-N 424.526 3.397 0 40 HGAB COc1ccc(CNC(=O)[C@@H]2[C@@H]3[C@H]2CC[C@@]32CC(=O)c3ccccc3O2)c(OC)c1 12328321 PHXGGWLKETVAGS-WLZNGNGHSA-N 407.466 3.380 0 40 HGAB COc1ccc(CNC(=O)CS[C@@H]2CCc3ccccc3NC2=O)cc1OC 12389332 DYLRRCOPPIQWSQ-LJQANCHMSA-N 400.500 3.007 0 40 HGAB COc1ccc(C(=O)Nc2cccc([C@H]3NC(N)=Nc4nc5ccccc5n43)c2)cc1 12520458 XKKRWWRAHXXAMU-FQEVSTJZSA-N 412.453 3.394 0 40 HGAB COc1ccccc1-c1cc([C@H]2CN3CC[C@H]2C[C@@H]3CNC(=O)c2ccco2)n(C)n1 12601973 IMBDWOVZILGLCO-SCTDSRPQSA-N 420.513 3.297 0 40 HGAB biogenic,in-vitro Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@@H](C)CCc3ccccc3)CC2)cc1 12760859 GCFQHXHJUODBJS-IBGZPJMESA-N 415.559 3.032 0 40 HGAB COc1ccc(Cl)cc1C(=O)N1CCN(CC(=O)Nc2cccc(C)c2C)CC1 12880253 LRXSHFRRJPUEAF-UHFFFAOYSA-N 415.921 3.362 0 40 HGAB CC[C@@H](C(=O)Nc1ccc(C(=O)O)cc1)N(c1ccc(C)c(C)c1)S(C)(=O)=O 13716861 TXECMABUSUNLMG-SFHVURJKSA-N 404.488 3.185 0 40 HGAB CCn1ncc(CN2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)c1C 14240461 GXBCYLQHSNKFAS-UHFFFAOYSA-N 417.362 3.025 0 40 HGAB CCCc1nn2c(=O)cc(COC(=O)c3cccc(NC(=O)C(C)C)c3)nc2s1 15772423 JYPFTYLOYWEHPC-UHFFFAOYSA-N 414.487 3.055 0 40 HGAB CCn1c(NC(=O)[C@@H](CCSC)N2C(=O)c3ccccc3C2=O)nc2ccccc21 18232882 RGRXGCGNDVHERX-GOSISDBHSA-N 422.510 3.413 0 40 HGAB O=C(c1nc[nH]n1)N1CCC[C@@H](c2nc(-c3cccs3)cc(C(F)(F)F)n2)C1 19344398 LNRQYQUTEAQAAO-SNVBAGLBSA-N 408.409 3.362 0 40 HGAB CC(C)[C@@H](NC(=O)c1ccoc1CN1CCOCC1)c1ccc2c(c1)OCCCO2 19445851 WZJJOOHXIITCLJ-JOCHJYFZSA-N 414.502 3.400 0 40 HGAB CC[C@H]1C[C@@H](C(F)(F)F)n2ncc(C(=O)NC[C@@H](C)N3CCC(C)CC3)c2N1 19520884 WCGCQEJTTKUFCJ-YCPHGPKFSA-N 401.477 3.431 0 40 HGAB Nc1nc(-c2ccccc2)nc2nc([C@@H]3CCCN(CC(=O)N4CCCC4)C3)ccc12 19743306 ILYGRFHCXLWRDU-GOSISDBHSA-N 416.529 3.076 0 40 HGAB CNCc1cc(N(C)C)nc([C@H]2CCCN2C(=O)CCc2c[nH]c3ccccc23)n1 19760826 BYBOFPGKKYAUDY-HXUWFJFHSA-N 406.534 3.040 0 40 HGAB COC(=O)c1sccc1NC(=O)c1nnn(-c2ccc(OC(F)F)cc2)c1C 19911034 GQABFVAVGCBWQP-UHFFFAOYSA-N 408.386 3.278 0 40 HGAB COc1cc2c(cc1OC)C(=O)[C@@H]([C@@H]1c3c(cc4c(c3OC)OCO4)CCN1C)C2 20759388 RJQXXRSHMDJYGT-FOIQADDNSA-N 411.454 3.025 0 40 HGAB biogenic O=C(CN1CCN(C(c2ccccc2)c2ccccc2)CC1)NC(=O)NC1CCCC1 21822143 JPASJNQWXGWTMJ-UHFFFAOYSA-N 420.557 3.162 0 40 HGAB Cc1cccc(N2CCN(C(=O)Cn3cc(C(F)(F)F)cc(Cl)c3=O)CC2)c1 22060274 UBLDXVPJHFWBFN-UHFFFAOYSA-N 413.827 3.178 0 40 HGAB COc1cccc(CCCNC(=O)CN(c2cccc(Cl)c2C)S(C)(=O)=O)c1 22337220 WSBYKCITDIDYPB-UHFFFAOYSA-N 424.950 3.172 0 40 HGAB O=c1ccc2cc(S(=O)(=O)Nc3cccc(Cl)c3N3CCOCC3)ccc2o1 23015864 MTWUDHYSVNKJAR-UHFFFAOYSA-N 420.874 3.084 0 40 HGAB CN(C(=O)Cn1c(CS(C)(=O)=O)nc2ccccc21)[C@@H]1CCCc2ccccc21 23183056 GEGOUYPGRISGLY-LJQANCHMSA-N 411.527 3.117 0 40 HGAB Cc1ccc(S(C)(=O)=O)cc1NS(=O)(=O)c1cccc(OC(F)(F)F)c1 24373271 CJNBIZAHGQVYHZ-UHFFFAOYSA-N 409.407 3.098 0 40 HGAB COCc1c(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)oc2ccccc12 25776810 VYJBNRDOBFPYET-UHFFFAOYSA-N 408.454 3.266 0 40 HGAB O[C@H](COc1ccccc1Br)CN1CCN(c2ccccc2F)CC1 26781843 WRBKLKUKJQMEEB-HNNXBMFYSA-N 409.299 3.150 0 40 HGAB CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCn3c2nc2ccccc23)ccc1C 30660801 HZFMMMHJFPCVBU-UHFFFAOYSA-N 412.515 3.036 0 40 HGAB CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)c1ccc2c(c1)OCCCO2 32576333 RBUAINQGOZOOFR-UHFFFAOYSA-N 401.415 3.009 0 40 HGAB COc1ccccc1N1C(SCc2ccccc2C)=N[C@@H]2CS(=O)(=O)C[C@H]21 32641011 YUYTWIRGFKSZFM-SJLPKXTDSA-N 402.541 3.279 0 40 HGAB CCNC(=O)c1cccc(NC(=O)Cc2cc3c(cc2Br)OCCO3)c1 32740859 ZNJNLFPIJLRBHK-UHFFFAOYSA-N 419.275 3.151 0 40 HGAB O=C(CSc1nncc2c1[nH]c1ccc(F)cc12)NC[C@H]1COc2ccccc2O1 32752919 GMUXPQFJVXNGCU-ZDUSSCGKSA-N 424.457 3.299 0 40 HGAB Cc1ccccc1CN1CCN(C(=O)COC(=O)c2ccc3ncsc3c2)CC1 32860226 BJSFXEXLOLJXHY-UHFFFAOYSA-N 409.511 3.106 0 40 HGAB COc1ccc(O[C@H](C)C(=O)N[C@@H](CCn2ccnc2)c2nc3ccccc3[nH]2)cc1 32933449 GICDBXPTSXWVMV-IERDGZPVSA-N 419.485 3.483 0 40 HGAB COC(=O)c1ccc(CN2C(=O)S/C(=C/c3cc([N+](=O)[O-])ccc3OC)C2=O)o1 33853739 KKMGRAPWYCPZJD-OVCLIPMQSA-N 418.383 3.220 0 40 HGAB C[C@@]1(C(=O)Nc2ccccc2OCCN2CCCCCC2)CC(=O)N2C=CC=CC2=N1 35316645 UVDQMMYXCKWWSG-DEOSSOPVSA-N 422.529 3.353 0 40 HGAB COc1ccc(CCNC(=O)[C@@H]2CC(=O)N([C@@H]3CCC[C@@H](C)[C@H]3C)C2)cc1OC 36390141 QJGDYQIUFXYBLW-PSBWJHGTSA-N 402.535 3.036 0 40 HGAB CC(=O)NCc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)cc1 36783548 AWYDQNITMJNERP-UHFFFAOYSA-N 403.364 3.175 0 40 HGAB C[C@H](Oc1ccc(Br)cc1)C(=O)NCc1nncn1-c1ccccc1 40088247 VBYZHUHKIKBGMU-ZDUSSCGKSA-N 401.264 3.114 0 40 HGAB COC(=O)c1sccc1NC(=O)N1CCC(NC(=O)Nc2ccc(F)cc2)CC1 40149925 IKIDGVITNZYYIS-UHFFFAOYSA-N 420.466 3.492 0 40 HGAB CCOC(=O)c1ccc(NC(=O)c2ccc(NS(C)(=O)=O)c(Cl)c2)c(C)c1 44885061 XLLUGFDOZOZQOM-UHFFFAOYSA-N 410.879 3.449 0 40 HGAB O=C(CCCn1cncn1)N1CCN(Cc2ccc(-c3ccccc3F)s2)CC1 47827885 YBRHCXNQRIBMCM-UHFFFAOYSA-N 413.522 3.270 0 40 HGAB Cc1oc(C(=O)Nc2cccc(-c3ccn[nH]3)c2)cc1S(=O)(=O)N1CCCC1 48362789 FGMYBAZBFIMXQZ-UHFFFAOYSA-N 400.460 3.015 0 40 HGAB CNC(=O)COc1ccc(CNCCOc2cccc(C(F)(F)F)c2)cc1OC 48822698 IWFDDSXGPCFOFY-UHFFFAOYSA-N 412.408 3.007 0 40 HGAB O=C(Nc1cccnc1N1CCSCC1)[C@H]1CC(c2ccc(Cl)s2)=NO1 51987850 WXMPGMDMWLYDSM-CYBMUJFWSA-N 408.936 3.481 0 40 HGAB Cn1ccnc1[C@](O)(CC(=O)N1CCC[C@H]1Cc1ccccc1Cl)C(F)(F)F 55524855 KGQJZFZJUCMUSS-KBXCAEBGSA-N 415.843 3.447 0 40 HGAB COCCn1c(SCC(=O)Nc2ccc(F)cc2F)nc2ccsc2c1=O 57425764 NOTAOAIQNOPADK-UHFFFAOYSA-N 411.455 3.113 0 40 HGAB O=C(CNc1cccc(-c2nnnn2C2CC2)c1)Nc1ccc(N2CCCC2)cc1 58046002 KZLQYKDUMSXDFG-UHFFFAOYSA-N 403.490 3.326 0 40 HGAB O=C(Nc1ccsc1C(=O)NCc1cccc(Br)c1)c1cnccn1 67335553 GKDBBNFHRYFCHN-UHFFFAOYSA-N 417.288 3.483 0 40 HGAB Cn1cc(C(=O)Nc2ccc(F)cc2)c(CC2CCN(C(=O)c3ccncc3)CC2)n1 72355003 LMKYYNNGBGDMOR-UHFFFAOYSA-N 421.476 3.301 0 40 HGAB Cc1nc(CC(=O)N2CCCC[C@@H]2c2cc(C(=O)NC3CCCC3)[nH]n2)cs1 72380630 AMHWBHFHQBNSBW-GOSISDBHSA-N 401.536 3.143 0 40 HGAB Cc1c(C(=O)N[C@H]2Cc3ccccc3[C@H]2O)cnn1-c1ccc(Br)cc1 89544875 BMQUQDLHCYUWPM-RBUKOAKNSA-N 412.287 3.331 0 40 HGAB CC(C)c1c(C(=O)NC[C@H]2CN3CCCC[C@@H]3CO2)cnn1-c1ccc(F)cc1 89891156 YBQCSPGFAGDIBC-MOPGFXCFSA-N 400.498 3.118 0 40 HGAB O=C(Cn1c(=O)n(Cc2ccc(F)cc2)c(=O)c2sccc21)c1ccc(F)cc1 90610242 CVGKAGFVRQVAMW-UHFFFAOYSA-N 412.417 3.434 0 40 HGAB Cc1cccc(N(CN2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@@H]3C2=O)C(=O)C(F)(F)F)c1C 100395345 PNWHRTXUMWLGCL-UJARPBSLSA-N 418.415 3.209 0 40 HGAB NC(=O)COc1ccc(/C=C2\SC(=O)N(Cc3ccccc3Cl)C2=O)cc1 106685020 GSRUCBXQLDNRDL-SXGWCWSVSA-N 402.859 3.441 0 40 HGAB O=C(Nc1ccc(F)c(F)c1)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 219751636 GENQMLJPWNYCES-MRXNPFEDSA-N 400.834 3.410 0 40 HGAB CN(C(=O)COc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccccc1 222751142 UJFXKWNJOSQNAO-UHFFFAOYSA-N 402.516 3.293 0 40 HGAB C[C@H](C(=O)NCc1ccncc1)N(Cc1ccccc1)C(=O)COc1ccccc1 222775191 HWWYOWILDLOVPH-LJQANCHMSA-N 403.482 3.194 0 40 HGAB S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2Cc2ccccn2)N1C[C@@H]1CCCO1 223321312 TZVCMGFBVUSUPN-NYVOZVTQSA-N 419.554 3.478 0 40 HGAB CC[C@@H](C(=O)N[C@@H](C)c1ccccc1OC)N(c1ccc(OC)cc1)S(C)(=O)=O 223545325 VVILPBZXFUTLHC-KXBFYZLASA-N 420.531 3.126 0 40 HGAB CSc1nnc(NC(=O)CCCN(c2cc(C)ccc2C)S(C)(=O)=O)s1 224025450 IJRWIKFQRYJORA-UHFFFAOYSA-N 414.578 3.062 0 40 HGAB CN(C)c1nc(N2CCOCC2)ncc1NC(=O)Nc1cccc(C(F)(F)F)c1 224147928 HDJNFQQUQLINTF-UHFFFAOYSA-N 410.400 3.042 0 40 HGAB COC(=O)CSc1nnc(NC(=O)c2ccc(CN3CCCCC3)cc2)s1 224754024 FQFPXAYEOFFJML-UHFFFAOYSA-N 406.533 3.041 0 40 HGAB COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccco2)cc1 225204304 VCGVEQFGILOVMH-WOJBJXKFSA-N 408.483 3.437 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCCc3cccc(C)c3)CC2)cc1 225477880 KOYQCSYVEVHTQF-UHFFFAOYSA-N 414.571 3.453 0 40 HGAB CCOc1cccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)c1 225521126 PGEWTNITDKENHE-LJQANCHMSA-N 416.543 3.111 0 40 HGAB O=C(c1ccc(N2CCOCC2)cc1)N1CC[C@@H](Oc2ccc3ccccc3n2)C1 252498972 RRZCLVHBYUDZQZ-OAQYLSRUSA-N 403.482 3.365 0 40 HGAB CCN(CC)S(=O)(=O)N1CCO[C@H](c2cc(Cc3cccc(F)c3)cc(C)n2)C1 257251155 JPQHIWMTMMEMHQ-NRFANRHFSA-N 421.538 3.080 0 40 HGAB CC(=O)Oc1ccc(-c2coc3cc(OCCOCC(=O)O)c(C)cc3c2=O)cc1 263583619 NLGOKYCDJCKQIL-UHFFFAOYSA-N 412.394 3.174 0 40 HGAB CCCc1onc(C)c1C(=O)N1CC2(C[C@H](COCc3ccncc3)CCN2C)C1 306126275 DRFNZRUMIOSPKJ-LJQANCHMSA-N 412.534 3.084 0 40 HGAB COC(=O)c1ccc(Cl)c(NC(=O)CN(c2cccc(C)c2C)S(C)(=O)=O)c1 409253299 WTVQSMRJJVMRRC-UHFFFAOYSA-N 424.906 3.148 0 40 HGAB COc1cc2c(cc1OC)[C@H](NC(=O)[C@H]1CCCN(c3nc(C)cc(C)n3)C1)CC2 524734019 NWEYKBDZPHWNDE-PKOBYXMFSA-N 410.518 3.131 0 40 HGAB CN(Cc1ccccc1N1CCCC1)C(=O)NCc1ccccc1CN1CC[C@H](O)C1 542853845 KRWWNQDIAXPILQ-QHCPKHFHSA-N 422.573 3.195 0 40 HGAB CN(C)[C@@H](CNS(=O)(=O)c1cccc2nsnc12)c1cc2ccccc2o1 575619402 DRIIFOWIJRXYCS-AWEZNQCLSA-N 402.501 3.019 0 40 HGAB O=C(NC[C@@](O)(c1ccsc1)c1ccco1)C(=O)Nc1ccccc1C(F)(F)F 585147582 ZQMPRQAJIGDSBA-GOSISDBHSA-N 424.400 3.351 0 40 HGAB C[C@H](C(=O)NCc1csc(-c2ccccc2)n1)n1nc(-c2cccnc2)ccc1=O 585219238 CQRVURGVEJIKHD-OAHLLOKOSA-N 417.494 3.306 0 40 HGAB CCc1ccc2[nH]c(=O)c(CN(CCO)C(=S)Nc3ccccc3OC)cc2c1 916823 HFELKQNGZXRTOB-UHFFFAOYSA-N 411.527 3.290 0 40 HGAB COc1ccc(COn2c(=O)c(-c3cccs3)[n+]([O-])c3ccccc32)cc1OC 1413081 ZEFVMPVCNRDKOY-UHFFFAOYSA-N 410.451 3.009 0 40 HGAB COc1cc(C(=O)c2cocc2C(=O)c2ccc3c(c2)OCO3)cc(OC)c1OC 1722585 VYYTXYSWNCYNIT-UHFFFAOYSA-N 410.378 3.496 0 40 HGAB COc1ccc2[nH]c3c(c2c1)CCN1C(=O)N(c2ccccc2C(=O)O)C(=O)[C@@]31C 2111701 NNTRRDQQBLWAIM-JOCHJYFZSA-N 405.410 3.115 0 40 HGAB biogenic Cc1cccc(-n2c(CCCN3C(=O)c4ccccc4C3=O)nc3ccccc3c2=O)n1 2367512 KIDWFIOIENPQGV-UHFFFAOYSA-N 424.460 3.318 0 40 HGAB O=C(NC1CCC(O)CC1)c1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1 2638887 QJEHZMCSFNOABG-UHFFFAOYSA-N 414.936 3.236 0 40 HGAB CN(C)S(=O)(=O)c1cc(C(=O)NOCc2ccccc2)c(Cl)cc1Cl 2789577 HUHVBMUDXRQQSK-UHFFFAOYSA-N 403.287 3.105 0 40 HGAB O=C(CCCc1c[nH]c2ccccc12)N1CCN(S(=O)(=O)c2cccs2)CC1 3434187 JZIGRGOUNOYEPX-UHFFFAOYSA-N 417.556 3.085 0 40 HGAB CC(C)OC(=O)[C@H]1[C@H](/C=C/c2ccccc2)[C@@H](C(=O)OC(C)C)C(=O)C[C@]1(C)O 4039196 WAWRHMOJAIJNCG-ZOCVGBEQSA-N 402.487 3.175 0 40 HGAB COc1cc([C@H]2SC[C@@H]3C(=O)N(c4ccccc4)C(=O)N32)cc(OC)c1OC 4704074 NWDAALGFYWWTFO-AUUYWEPGSA-N 400.456 3.295 0 40 HGAB COc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3nc(C)cs3)n2C)cc1OC 4736349 VISSVRMEJWORKZ-NSHDSACASA-N 419.532 3.384 0 40 HGAB O=C(Cn1c(=O)n(CCc2ccccc2)c(=O)c2sccc21)Nc1ccccc1 6679414 JODDFAQSULISBN-UHFFFAOYSA-N 405.479 3.106 0 40 HGAB COc1ccc(NC(=O)Cc2coc3ccc4ccccc4c23)cc1S(N)(=O)=O 6982992 UDSBUVOSCBTWMF-UHFFFAOYSA-N 410.451 3.423 0 40 HGAB CC(C)CN(CC(C)C)C(=O)CSc1nn2c(=O)c(C(C)(C)C)nnc2s1 7000538 FCJIVKOXOGLPKT-UHFFFAOYSA-N 411.597 3.076 0 40 HGAB CCOc1ccc(NS(=O)(=O)c2ccc(OC)c(C(=O)N3CCCC3)c2)cc1 7361312 QSUXSWWGRMZXAR-UHFFFAOYSA-N 404.488 3.131 0 40 HGAB COC(=O)c1ccc(C)c(NC(=O)[C@H]2CS[C@]3(c4ccccc4)CCC(=O)N23)c1 7801331 CRFUYNQMYWJNON-GCJKJVERSA-N 410.495 3.311 0 40 HGAB COc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc3nc(C)c(C)nc3c2)cc1OC 7840536 VVRIIQXZNVBQAV-CQSZACIVSA-N 409.442 3.448 0 40 HGAB COCCn1c(C)cc(C2=NN=C(NCc3ccc4c(c3)OCO4)SC2)c1C 8187461 BMEGCXXYXKSACF-UHFFFAOYSA-N 400.504 3.077 0 40 HGAB CCS(=O)(=O)c1ncc(Cl)c(C(=O)N(Cc2ccccc2)Cc2ccco2)n1 8611968 DOCUPHGFPKIUCH-UHFFFAOYSA-N 419.890 3.359 0 40 HGAB COc1ccccc1NS(=O)(=O)c1cccc(NC(=O)c2ccc(CO)cc2)c1 8710353 QHWFZRWLLPLLGK-UHFFFAOYSA-N 412.467 3.241 0 40 HGAB COc1ccc(N2C(=O)NC(=O)[C@]3(Cc4ccccc4N4CCCCC[C@@H]43)C2=O)cc1 8814925 SYOSDGZFNGWYFR-HYBUGGRVSA-N 419.481 3.270 0 40 HGAB Cc1cc(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)Nc3ccc(Cl)c(Cl)c3)[C@@H]4C2=O)no1 9306356 NYEDVTVEGVOBGG-NVQRDWNXSA-N 420.252 3.215 0 40 HGAB CC(=O)c1ccc(NC(=O)CSc2nnc(-c3cccnc3)n2-n2cccc2)cc1 9707815 LZQXRMXRDKUIAR-UHFFFAOYSA-N 418.482 3.386 0 40 HGAB COc1ccc(Cn2nnnc2SCC(=O)N[C@H](C)c2cc3ccccc3o2)cc1 9783384 YXZZDYWGPWCAKF-CQSZACIVSA-N 423.498 3.446 0 40 HGAB Cc1ccccc1CNC(=O)C1CCN(S(=O)(=O)CCCc2ccccc2)CC1 10008681 BUVACUQNNADDIK-UHFFFAOYSA-N 414.571 3.286 0 40 HGAB CCOC(=O)c1cccc(NS(=O)(=O)c2ccc(OC)c(Br)c2)c1 10112259 ZFQXDWLSNNCIMU-UHFFFAOYSA-N 414.277 3.435 0 40 HGAB COc1ccc(-c2nn3cnnc3s2)cc1NC(=O)c1ccc(Br)o1 10119899 JAZRMQAEAKKCDT-UHFFFAOYSA-N 420.248 3.469 0 40 HGAB COc1ccc(-c2cc(COC(=O)c3ccc4c(=O)n5c(nc4c3)CCC5)on2)cc1 11426379 UISSRJXVGGRJTD-UHFFFAOYSA-N 417.421 3.363 0 40 HGAB C[C@@H](Oc1ccccc1)C(=O)Nc1cc(C2CC2)nn1-c1nc2c(c(=O)[nH]1)CCCC2 12130495 AOKFQTOUBBEPGH-CQSZACIVSA-N 419.485 3.118 0 40 HGAB Cc1nc2cc([C@@H]3CCCCN3S(=O)(=O)c3ccc(F)cc3)nn2c(O)c1C 12161709 QHCUNTZRRLMJKA-KRWDZBQOSA-N 404.467 3.107 0 40 HGAB O=C(NCC(=O)N1CCC[C@H](C(=O)Nc2ccc(F)c(Cl)c2)C1)c1ccccc1 12323482 IEMCGAOFZACXRS-HNNXBMFYSA-N 417.868 3.086 0 40 HGAB COC(=O)Nc1nc(CC(=O)N2CCN(c3cc(Cl)ccc3C)CC2)cs1 12440431 LCJBXXKILFKZBG-UHFFFAOYSA-N 408.911 3.175 0 40 HGAB O=C(c1ccco1)N1CCC(C(=O)N2CCN(c3ccccc3Cl)CC2)CC1 12543623 OUXOYOHKPXDUPO-UHFFFAOYSA-N 401.894 3.134 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)CCc3ccco3)CC2)c(C)c1 12775614 FOTFPNCXCCUHSG-SFHVURJKSA-N 418.559 3.435 0 40 HGAB C[C@@H](C(=O)Nc1cc(F)ccc1F)N1CCC(C(=O)Nc2ccccc2O)CC1 12797118 YEFPHUXFRPJYPS-ZDUSSCGKSA-N 403.429 3.348 0 40 HGAB COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)/C=C/c1ccc([C@@H]2C[C@H]2C)o1 12927431 MQOBEBPEQRMDQR-TZCIALRTSA-N 407.470 3.328 0 40 HGAB CC(C)[C@H](C)NC(=O)COC(=O)c1ccccc1SCC(=O)NCc1ccco1 13038899 YZWBMRAELPAOHS-HNNXBMFYSA-N 418.515 3.006 0 40 HGAB Cc1nc2c3ccccc3nc(SCC(=O)c3c[nH]c(C(=O)N4CCCC4)c3)n2n1 13230582 VVHJPAREMFAPNF-UHFFFAOYSA-N 420.498 3.125 0 40 HGAB COC(=O)c1c(N2C(=O)C[C@@H](Sc3ccc(N)cc3)C2=O)sc2c1CCC2 13578807 QUCYYNZVLGGIDJ-CQSZACIVSA-N 402.497 3.030 0 40 HGAB COc1ccc(F)cc1S(=O)(=O)N1CCC[C@@H](C(=O)N[C@@H](C)c2ccccc2)C1 13580557 RMFLRESDWVCPBA-DOTOQJQBSA-N 420.506 3.112 0 40 HGAB COc1ccc(F)cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(C)c(C)c2)C1 13580619 JIGTYWQOTSFXRU-INIZCTEOSA-N 420.506 3.491 0 40 HGAB Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)N3CCC[C@@H](C)C3)Oc3ccccc32)cc1 13648021 KBSYRVHXHXBSKP-UTKZUKDTSA-N 414.527 3.210 0 40 HGAB CCCCN1C(=O)/C(=c2\sc3nc(-c4ccc(F)cc4)nn3c2=O)c2ccccc21 13751575 TYZSQKHZESLUCV-ZCXUNETKSA-N 420.469 3.022 0 40 HGAB COc1cc(NC(=O)[C@@H](C)Sc2nnc(NC[C@@H]3CCCO3)s2)cc(OC)c1 14676467 HSRIJTQQVBMGAY-YPMHNXCESA-N 424.548 3.266 0 40 HGAB COC(=O)c1cc(CNC(=O)c2ccc(Cl)c(N3CCCC3=O)c2)ccc1OC 14890192 WTDAYYCFNVYKTM-UHFFFAOYSA-N 416.861 3.192 0 40 HGAB Cc1cccc(OC[C@@H](O)CN2C(=O)N[C@](C)(c3ccc4ccccc4c3)C2=O)c1 15236740 BJLHCSKEVUZFRP-GBXCKJPGSA-N 404.466 3.355 0 40 HGAB CCCCCC(=O)NC(=S)Nc1ccc(I)cc1C(=O)O 16637769 VSCJAIDRFTZRHK-UHFFFAOYSA-N 420.272 3.383 0 40 HGAB Cc1ccccc1NC(=O)COc1cccc2ccc(N3CCC(C(N)=O)CC3)nc12 17135941 UGLUTSKFYNWFME-UHFFFAOYSA-N 418.497 3.262 0 40 HGAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccccc1NC(=O)c1ccco1 18100170 GXBDIJZTUWXHDM-UHFFFAOYSA-N 402.410 3.041 0 40 HGAB CC(C)Oc1cccc(CNC(=O)c2cc(C(C)C)n([C@@H]3CCS(=O)(=O)C3)n2)c1 19452653 OONJYURQERSMKN-QGZVFWFLSA-N 419.547 3.083 0 40 HGAB COCCOc1ccc(CN2CCC[C@@H](c3nc(-c4ccncc4)cc(=O)[nH]3)C2)cc1 19593702 ARRQYKOVBXMAGQ-HXUWFJFHSA-N 420.513 3.237 0 40 HGAB Cc1nc(NCc2ccc(CO)cc2)cc([C@@H](C)n2ncc3ccccc3c2=O)n1 19655481 SSMORXPEXGOMKX-OAHLLOKOSA-N 401.470 3.209 0 40 HGAB COCCC(=O)N1CCCC[C@H]1c1nc(C)c2c(n1)N(CC1CCOCC1)CCC2 19706593 HUECCJJFNJCFIU-FQEVSTJZSA-N 416.566 3.054 0 40 HGAB Cc1cccc(N(C)CCC(=O)Nc2ccc3c(c2)N(S(C)(=O)=O)CCC3)c1 19719854 GYMUHZWZBYOZGB-UHFFFAOYSA-N 401.532 3.172 0 40 HGAB Nc1n[nH]c2nc(C3CCN(C(=O)c4cc(C5CC5)on4)CC3)cc(C(F)(F)F)c12 19745091 HQGXHJKFHOPKQN-UHFFFAOYSA-N 420.395 3.444 0 40 HGAB Cc1ncc(C(=O)NC2CC2)c([C@@H]2CCCN2C(=O)c2cc3cc(F)ccc3[nH]2)n1 19767080 KKRCGRPLQFZZRI-IBGZPJMESA-N 407.449 3.275 0 40 HGAB Cc1cc(S(=O)(=O)NC(C)C)ccc1OCC(=O)N[C@@H]1CCCc2ccccc21 20021746 ARCDVBGQKJWVDO-HXUWFJFHSA-N 416.543 3.254 0 40 HGAB COc1ccc(NC(=O)COc2ccc(I)cc2)cc1OC 21732307 KQAUNNYRTLJBAO-UHFFFAOYSA-N 413.211 3.326 0 40 HGAB CC(C)(C)NC(=O)CN1CCN(C(=O)c2csc(-c3ccc(Cl)cc3)n2)CC1 21927369 UZMQDEQRRMHVDD-UHFFFAOYSA-N 420.966 3.136 0 40 HGAB CC(C)Oc1cccc(C(=O)NC(=S)Nc2ccc(CN3CCOCC3)cc2)c1 22438166 GPOBOOFLRHXSLE-UHFFFAOYSA-N 413.543 3.433 0 40 HGAB NC(=O)Cc1nc2ccccc2n1C[C@H](O)COc1ccc(Oc2ccccc2)cc1 24829230 GKFZUHJLPLJUPT-KRWDZBQOSA-N 417.465 3.296 0 40 HGAB CN(CCOc1ccc(Cl)cc1)S(=O)(=O)c1ccc(N2CCCC2=O)cc1 30495483 JAGWRDUWRFQMGY-UHFFFAOYSA-N 408.907 3.166 0 40 HGAB O=C(NCCCN1CCN(c2ncccn2)CC1)c1ccc(-c2ccccc2)cc1 30644498 GGZZQCVXWBDFPT-UHFFFAOYSA-N 401.514 3.086 0 40 HGAB CCN(CC)[C@@H](CNC(=O)c1cc(NC(C)=O)cc(NC(C)=O)c1)Cc1ccccc1 31657834 FIHJTGBXEGDSIN-HSZRJFAPSA-N 424.545 3.286 0 40 HGAB COc1cccc([C@@H]2c3cc4c(cc3O[C@H](N3CCOCC3)[C@@H]2C)OCO4)c1OC 31860795 HDTMGYJCRVULBM-NZCIYTFRSA-N 413.470 3.251 0 40 HGAB COc1ccc(CN(Cc2nc(-c3ccc(Cl)cc3)no2)S(C)(=O)=O)cc1 33428912 DNNYYIIYAPQBOG-UHFFFAOYSA-N 407.879 3.360 0 40 HGAB C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)N1CCN(C(=O)c2ccco2)CC1 35267886 HIYIHADDNKFGNC-LJQANCHMSA-N 417.509 3.332 0 40 HGAB Cc1nn(Cc2ccccc2)c2nc(C3CC3)cc(C(=O)N3CCC(C(N)=O)CC3)c12 36616697 LKLSENWNYSRMHG-UHFFFAOYSA-N 417.513 3.003 0 40 HGAB COc1ccc(Cl)cc1N(CC(=O)N[C@@H](C)c1ccc(C)cc1)S(C)(=O)=O 38753264 PIYKROLYXIQMPD-AWEZNQCLSA-N 410.923 3.300 0 40 HGAB COc1ccc(C(=O)N2CCN(Cn3nc(-c4cccs4)[nH]c3=S)CC2)cc1 40083006 SNPTWDFBADZURT-UHFFFAOYSA-N 415.544 3.093 0 40 HGAB C[C@@H](CCc1ccc(O)cc1)NC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 40096810 DLKPGOFPPWSGPQ-INIZCTEOSA-N 417.531 3.320 0 40 HGAB Cc1ccc([C@@H](C)NC(=O)[C@@H]2CCN(S(C)(=O)=O)c3ccccc3O2)cc1C 44856429 FFFYVAIVTYNRJM-UZLBHIALSA-N 402.516 3.098 0 40 HGAB COc1ccc(NC(=O)CN2CCc3[nH]c4c(C)c(Cl)ccc4c(=O)c3C2)cc1 49003159 JSIQXUYHJQZEFO-UHFFFAOYSA-N 411.889 3.495 0 40 HGAB CCOc1cccc(-c2noc(Cn3ncn4nc(-c5cccs5)cc4c3=O)n2)c1 49004384 VTWOSDGXPCDWQQ-UHFFFAOYSA-N 420.454 3.117 0 40 HGAB COCCNC(=O)C1CCN(c2cc(Sc3cc(C)ccc3C)ncn2)CC1 49402019 CUQYMKCUCANDCR-UHFFFAOYSA-N 400.548 3.224 0 40 HGAB O=C(NC1CC1)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2F)cc1Cl 55632517 WJPUESVTJUURTQ-UHFFFAOYSA-N 404.797 3.450 0 40 HGAB O=C(Nc1cccc(C(F)(F)F)c1)[C@H](N[C@@H]1CCS(=O)(=O)C1)c1ccccc1 57432010 OAVFWBLMOHEPMC-IAGOWNOFSA-N 412.433 3.162 0 40 HGAB O=C(Nc1ccc([C@H]2OCC(=O)N(Cc3cccnc3)[C@@H]2CO)cc1)C1CCCCC1 72321231 TVNJAIMRFPFEIG-FYYLOGMGSA-N 423.513 3.061 0 40 HGAB biogenic,in-vitro CC(C)(C)NC(=O)[C@@H]1CN(Cc2ccccc2)C[C@]12CCc1ccccc1C(=O)N2 72334393 MEAODUGLFJKJAZ-SQJMNOBHSA-N 405.542 3.148 0 40 HGAB CNC(=O)[C@H](NC(=O)CN1CCCSc2ccc(Cl)cc21)c1ccccc1 83881780 SZYYMQGLCPMBML-LJQANCHMSA-N 403.935 3.246 0 40 HGAB Cc1noc(C)c1S(=O)(=O)NCc1cc(-c2ccncc2)n(C2CCCC2)n1 90607150 VIOSXGBSXOIZRZ-UHFFFAOYSA-N 401.492 3.144 0 40 HGAB CN1C(=O)[C@H](NC(=O)NCc2ccccc2F)N=C(c2ccccc2)c2ccccc21 95929330 KJGAHFXFSVGGDQ-QFIPXVFZSA-N 416.456 3.465 0 40 HGAB CCN(Cc1cnc2ccccn12)S(=O)(=O)c1ccc(Br)s1 96025095 RAYQIVWRQIVUMY-UHFFFAOYSA-N 400.323 3.369 0 40 HGAB CC[C@H]1CCCCN1c1nc(=O)c2c([nH]1)NC(=O)C[C@H]2C(=O)Nc1ccc(C)c(C)c1 139116156 YTAPRQJTJUGENL-DLBZAZTESA-N 423.517 3.220 0 40 HGAB CCOc1ccc(NC(=O)[C@@H](CC)N(c2cccc(OC)c2)S(C)(=O)=O)cc1 220612105 CKBOZRDNEYQRRJ-LJQANCHMSA-N 406.504 3.277 0 40 HGAB CCOC(=O)c1cc(NC(=O)c2ccc(N(C)S(C)(=O)=O)c(C)c2)ccc1Cl 222483572 NQCDHOKZHFBPFZ-UHFFFAOYSA-N 424.906 3.473 0 40 HGAB C[C@H](C(=O)NCc1cccc2ccccc12)N(c1cccc(F)c1)S(C)(=O)=O 222883869 YLNQZNUZXPHFNA-OAHLLOKOSA-N 400.475 3.450 0 40 HGAB CC(C)[C@@H](C)NC(=O)c1ccc(CN(c2ccccc2F)S(=O)(=O)N(C)C)cc1 225208718 UBSRNWICDAUQRG-MRXNPFEDSA-N 421.538 3.413 0 40 HGAB CN1c2ccccc2N(CCNC(=O)c2ccccc2Oc2ccccc2)S1(=O)=O 239593101 DOVHUGJAXKVDIS-UHFFFAOYSA-N 423.494 3.410 0 40 HGAB O=C(CCCCCN1Cc2ccccc2C1=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 257198682 FUKVFUNQLBZPRO-AZUAARDMSA-N 419.525 3.010 0 40 HGAB C[C@@]12CC[C@@H](C[C@H]1C(=O)NCCN1CCCCCC1)[C@@]1(C2)NC(=O)c2ccccc2N1 257207598 BILHXFKOOIUVMI-FPBQGTLXSA-N 424.589 3.357 0 40 HGAB COCCN1C(=O)Cc2c(C)nc([C@]3(C)CCCN3Cc3ccc4cc[nH]c4c3)nc21 257207924 BJXWFGJSSVMAGL-DEOSSOPVSA-N 419.529 3.313 0 40 HGAB CNc1cc(C(=O)N2CCO[C@H](c3cccc(Nc4ccc(F)cn4)n3)C2)ccn1 257281000 ONGLOCBGWXLJRS-KRWDZBQOSA-N 408.437 3.010 0 40 HGAB COc1cccc(-c2ccc3nc([C@@H]4CCCN(C(=O)c5ccnn5C)C4)nn3c2)c1 306127607 GDJMSHNNLWNEAM-GOSISDBHSA-N 416.485 3.158 0 40 HGAB Cc1cc(C)n(-c2cc(N3CC(C(=O)Nc4ccc5sc(C)nc5c4)C3)ncn2)n1 390827278 VTQAGOQAFUVFAR-UHFFFAOYSA-N 419.514 3.272 0 40 HGAB CCCCNS(=O)(=O)c1ccc(OCC(=O)N[C@@H](C)CCc2ccccc2)cc1 408582919 FYHNCRIYIJJMMY-SFHVURJKSA-N 418.559 3.281 0 40 HGAB CC(C)CNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)cc1 408590391 GNDHQVWZTBFZMM-UHFFFAOYSA-N 405.476 3.036 0 40 HGAB Cc1ccc2nc(CN3CCC[C@H](NC(=O)CCCc4ccccc4)C3)cc(=O)n2c1 510642986 FBACPTRVSRSAMB-NRFANRHFSA-N 418.541 3.106 0 40 HGAB CC(C)N(Cc1ccccc1)C[C@@]1(O)CN(C(=O)c2ccc(Cl)cc2)CC[C@@H]1O 585286104 VTIAUCUAIJPLMU-GMAHTHKFSA-N 416.949 3.189 0 40 HGAB O=C1COc2ccc(S(=O)(=O)N3CCC[C@@H](c4cc5ccccc5[nH]4)C3)cc2N1 615264436 ROINZIWPMAIEQV-OAHLLOKOSA-N 411.483 3.067 0 40 HGAB C[C@@H]1CCc2c(sc3nc(CN4CC[C@@]5(C4)C(=O)Nc4ccccc45)nc(N)c23)C1 681699366 SRIXZGOIQHDFSM-ZLOXQWCVSA-N 419.554 3.494 0 40 HGAB CC(C)N1C(=O)c2ccccc2[C@@H](C(=O)N(C)C)C12CCN(Cc1cccn1C)CC2 1549168437 WJGXTCNPLZOSOU-QFIPXVFZSA-N 422.573 3.096 0 40 HGAB O=C(CC1(CN2Cc3ccccc3C2=O)CCCCC1)NCCNc1ncccn1 1565524830 PNGCHFJNXLQKFP-UHFFFAOYSA-N 407.518 3.001 0 40 HGAB CCc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(OC)cc3)C2)cc1 796761 RJPDCCOLHHDKJQ-KRWDZBQOSA-N 402.516 3.297 0 40 HGAB COc1ccc(CNC(=O)[C@H](C(=O)c2ccc(F)cc2)n2cc(C)ccc2=O)cc1 819544 ZMKFAPFETQUEQF-NRFANRHFSA-N 408.429 3.045 0 40 HGAB COc1ccc2[nH]c(=O)c(CN(C(=S)NC[C@H]3CCCO3)C3CCCC3)cc2c1 880152 COFDGIXICZVUIT-LJQANCHMSA-N 415.559 3.335 0 40 HGAB Cc1nnc(NC(=O)COc2ccc(Br)cc2Br)s1 939876 HLQHTEINBHPWIE-UHFFFAOYSA-N 407.087 3.389 0 40 HGAB CC(C)n1cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)c2ccccc21 1012886 OZDFYFFAIPPSHR-WOJGMQOQSA-N 413.499 3.117 0 40 HGAB O=C(O)c1ccc(NC(=O)[C@H]2CCC[C@@H](C(=O)Nc3ccc(C(=O)O)cc3)C2)cc1 1513412 SHIRTAVQITWLKS-IYBDPMFKSA-N 410.426 3.467 0 40 HGAB COc1cc([C@@H]2c3cc4c(cc3O[C@@](C)(OC)[C@H]2C(C)=O)OCO4)cc(OC)c1O 1591353 LZWQTIFDUCCYTH-RZUBCFFCSA-N 416.426 3.230 0 40 HGAB COc1cc2c(c(OC)c1O)-c1ccc(SC)c(=O)cc1[C@H](NC(C)=O)CC2 2017805 OMQLBXIHBJAOIO-OAHLLOKOSA-N 401.484 3.282 0 40 HGAB Nn1c(SCC(=O)Nc2ccc(SC(F)F)cc2)nnc1-c1cccnc1 3274482 QHNIKKKJLRVRER-UHFFFAOYSA-N 408.459 3.099 0 40 HGAB Cc1cc(C)n2nc(C(=O)OCC(=O)Nc3ccccc3Cc3ccccc3)nc2n1 3307506 KKEKYSMNYISFSO-UHFFFAOYSA-N 415.453 3.127 0 40 HGAB CC(C)NC(=O)NC(=O)COC(=O)c1ccc(-c2nc3ccccc3s2)s1 3401419 WTATWYCQNDLFAQ-UHFFFAOYSA-N 403.485 3.416 0 40 HGAB Cc1cc(C(=O)CN2C(=O)NC3(CCCCCC3)C2=O)c(C)n1C[C@@H]1CCCO1 3592741 IHTYTUMUAWTKCW-KRWDZBQOSA-N 401.507 3.111 0 40 HGAB Cc1ccc(C(=O)NC(=S)Nc2nc3ccc(S(C)(=O)=O)cc3s2)cc1 4262834 MFCCLVMGZLPBAV-UHFFFAOYSA-N 405.526 3.135 0 40 HGAB CCCCCn1c(=O)c2c(nc3n(-c4ccccc4OCC)c(C)cn23)n(C)c1=O 4370394 MZZSFTQMJVECFE-UHFFFAOYSA-N 409.490 3.036 0 40 HGAB CCOC(=O)c1c(C)[nH]c(C(=O)O[C@@H](C)C(=O)Nc2cccc(C(C)=O)c2)c1C 4549560 JFBBIWIGEVUHCS-AWEZNQCLSA-N 400.431 3.195 0 40 HGAB C[C@H]1C[C@H](C)CN(C(=O)COC(=O)CNC(=O)c2ccc(-c3ccccc3)cc2)C1 4979228 JWCWHDWVVDHPGR-ROUUACIJSA-N 408.498 3.131 0 40 HGAB COc1cc(NC(=O)c2cccs2)c(C(=O)OCC(=O)c2ccc[nH]2)cc1OC 4997033 VUJORBGXXFUYAM-UHFFFAOYSA-N 414.439 3.385 0 40 HGAB COc1ccc(-n2nnc3c(=O)n(Cc4cccc5ccccc45)cnc32)cc1OC 5057430 PURGYQZWYIPJHB-UHFFFAOYSA-N 413.437 3.196 0 40 HGAB CCCc1nc2sc3c(N(C[C@H](C)O)C[C@H](C)O)ncnc3c2c2c1CCC2 5164504 OXIQFCWVIVQPRX-STQMWFEESA-N 400.548 3.249 0 40 HGAB CS(=O)(=O)Nc1nc2n(n1)[C@H](c1ccccc1)C[C@H](c1ccc(Cl)cc1)N2 5497959 SILXYWQSVVPELK-CVEARBPZSA-N 403.895 3.449 0 40 HGAB Cc1ccc(NC(=S)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)cc1 5940170 JACLHNDYAOUWDH-UHFFFAOYSA-N 415.993 3.413 0 40 HGAB Cc1cccc(NS(=O)(=O)c2ccc(OCC(=O)NCCCOC(C)C)cc2)c1 6024051 FWKBCSWNUQNFLP-UHFFFAOYSA-N 420.531 3.106 0 40 HGAB CSc1nnc(C)n1NC(=S)NC(=O)/C=C/c1ccc(Cl)cc1Cl 6320446 GARQINIYDJUCED-GQCTYLIASA-N 402.332 3.273 0 40 HGAB C[C@H](Sc1nnc(-c2ccc(F)cc2)n1N)C(=O)N[C@H]1CCCc2ccccc21 6532645 ZRSLGEPNQQDJJD-UGSOOPFHSA-N 411.506 3.472 0 40 HGAB Cc1c(-c2ccccc2)sc2ncn(CC(=O)NC(=O)NC3CCCC3)c(=O)c12 6534954 ZPBQIVNICUAQHR-UHFFFAOYSA-N 410.499 3.202 0 40 HGAB CC(C)c1ccc(OCc2nnc(SCC(=O)NC3CCCCC3)n2N)cc1 7672795 KEUBSAAVVSNRCN-UHFFFAOYSA-N 403.552 3.235 0 40 HGAB CCOc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3C)C2)cc1 8039097 ROZKQHPCPKLAHM-QGZVFWFLSA-N 410.470 3.237 0 40 HGAB CCCn1c(SCc2csc(N(C(C)=O)c3ccccc3OC)n2)n[nH]c1=O 8429181 DRDCWMMZMOICEX-UHFFFAOYSA-N 419.532 3.423 0 40 HGAB Cc1ccc(C)n1NC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)cc1 8475601 QBIMHBYHNNHGOW-LJQANCHMSA-N 416.481 3.480 0 40 HGAB CC(=O)Nc1ccc(NC(=O)CSc2nnc(NC(=O)c3ccco3)s2)cc1 8823273 NDLNVLGPELMFSR-UHFFFAOYSA-N 417.472 3.073 0 40 HGAB C/C(=C\c1ccccc1)C(=O)Nc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 9426418 DRLCOVALMWDOCS-JRJUITNWSA-N 400.500 3.186 0 40 HGAB O=C(Cn1nnc(-c2ccc(F)cc2)n1)N1CCC(c2nc3ccccc3s2)CC1 9644067 ZSKSNPZEUXVPMP-UHFFFAOYSA-N 422.489 3.495 0 40 HGAB Nc1c(C(=O)NCc2ccc(Cl)cc2)nnn1Cc1ccc(Br)cc1 9748917 HUMRJLQECWDCRJ-UHFFFAOYSA-N 420.698 3.255 0 40 HGAB CCn1c(SCC(=O)NC(=O)NCc2ccco2)nnc1-c1cccc(Cl)c1 9790915 FMPAUYRQHZBVCF-UHFFFAOYSA-N 419.894 3.330 0 40 HGAB O=C(OCC(=O)N1CCN(c2ccc(F)cc2)CC1)c1ccc(C(F)(F)F)cc1 10648232 OSNIDGQRADJQDT-UHFFFAOYSA-N 410.367 3.350 0 40 HGAB Cc1nc2cc(F)ccc2cc1C(=O)O[C@@H](C)C(=O)N1CC(=O)Nc2ccccc21 10926422 FERTZNQIRVSMNT-ZDUSSCGKSA-N 407.401 3.213 0 40 HGAB O=c1c2nc(N3CCOCC3)sc2c(-c2ccco2)nn1Cc1cccc(F)c1 11666307 FRDLZVBVNVYKJK-UHFFFAOYSA-N 412.446 3.137 0 40 HGAB Cc1sc(-c2c(Cl)cccc2Cl)nc1C(=O)N[C@H]1CCS(=O)(=O)C1 11865752 SAMIMRBLALUBPV-VIFPVBQESA-N 405.328 3.342 0 40 HGAB O=C(c1ccc2c(c1)OCO2)N1CCC[C@H]1Cn1nc(-c2ccc(F)cc2)ccc1=O 12182270 LRBLVFSHDRCLAF-SFHVURJKSA-N 421.428 3.083 0 40 HGAB COc1cc(CN2CCc3c(nc4cc(C(C)(C)C)nn4c3O)C2)cc2c1OCO2 12185445 KDCGTERJSIHIDS-UHFFFAOYSA-N 410.474 3.028 0 40 HGAB Cc1cc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)ccc1N1CCCC1=O 12652524 WWEUAPMVLIZTJT-UHFFFAOYSA-N 402.472 3.084 0 40 HGAB CCc1ccc(NCC(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2OC)cc1 12766454 VSFZMBDRLRVXTL-UHFFFAOYSA-N 419.547 3.339 0 40 HGAB CC(=O)N1CCN(C(=O)/C=C/c2cn(-c3ccccc3)nc2-c2ccccc2)CC1 12905462 YOIGSACXJBYQKI-OUKQBFOZSA-N 400.482 3.243 0 40 HGAB O=C(NC[C@H](c1ccccc1)N1CCCC1)c1cccc(NC(=O)[C@@H]2CCCO2)c1 12910644 JSCAQWWFZMRCPY-YADHBBJMSA-N 407.514 3.371 0 40 HGAB CCc1cccc2c(C3=CCN(S(=O)(=O)N4C[C@H](C)O[C@H](C)C4)CC3)c[nH]c12 12933645 HOXFHMDZUQRRQX-IYBDPMFKSA-N 403.548 3.173 0 40 HGAB COc1ccc(C(=O)N2C[C@H]3CCCN(Cc4cc5c(cc4C)OCO5)[C@H]3C2)cc1 13226773 GPQUXTKAVFBEPS-NQIIRXRSSA-N 408.498 3.469 0 40 HGAB COc1ccc2c(CC(=O)NC[C@H](c3ccc(F)cc3)N3CCOCC3)coc2c1 16002354 XRJCYJUBQIKWDU-OAQYLSRUSA-N 412.461 3.313 0 40 HGAB CS(=O)(=O)N1CCC[C@H]1C(=O)Nc1nc(-c2ccc3c(c2)CCCC3)cs1 16847873 PNZJZJXXCRQKIC-KRWDZBQOSA-N 405.545 3.051 0 40 HGAB CC(=O)c1cc(C(=O)N2CCC[C@@H]2c2n[nH]cc2-c2ccnc(N(C)C)n2)cs1 19023127 XNGSJXPRJGHFIG-MRXNPFEDSA-N 410.503 3.174 0 40 HGAB OC1(c2ccc(F)cc2)CCN(Cc2ccc(OCCN3CCOCC3)cc2)CC1 19333784 LRDMWTPYOHGUSK-UHFFFAOYSA-N 414.521 3.020 0 40 HGAB CCCC(=O)N1CCC(c2cc3nc4c(c(O)n3n2)CN(C(CC)CC)CC4)CC1 19501161 LWRLEJGQJNLADO-UHFFFAOYSA-N 413.566 3.488 0 40 HGAB CNc1cc(C(=O)N2CCO[C@H](c3ccc(Cc4ccccc4F)cn3)C2)ccn1 19692241 IHHPNVMWAHWOBS-NRFANRHFSA-N 406.461 3.462 0 40 HGAB Cc1nc([C@H]2CCCN2C(=O)COC(C)C)nc2c1CCC(=O)N2CCC(C)C 19741989 NVDGFYWDRRFSIO-GOSISDBHSA-N 402.539 3.199 0 40 HGAB CNC(=O)c1cc([C@@H]2CCN(C(=O)COc3ccc(F)cc3)C2)nc2ccccc12 19754614 VJANHKHINXJPEP-OAHLLOKOSA-N 407.445 3.128 0 40 HGAB CC[C@@H](NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1ccccc1 20459375 RJPJNYMLROKJTK-OAQYLSRUSA-N 400.544 3.496 0 40 HGAB COc1ccc(CN(C)C(=O)CN(c2c(C)cc(C)cc2C)S(C)(=O)=O)cc1 22400503 MDIVUQINVANEDV-UHFFFAOYSA-N 404.532 3.045 0 40 HGAB NC(=O)c1ccccc1NC(=O)[C@@H]1CCCN(c2ccc(-c3ccccc3)nn2)C1 23142632 PUWCREFOWYVGEH-QGZVFWFLSA-N 401.470 3.098 0 40 HGAB CC(C)(C)c1ccc(NC(=O)CN2CCN(Cc3nnc4n3CCCCC4)CC2)cc1 23248578 PJCKZKNUJJPEPP-UHFFFAOYSA-N 424.593 3.058 0 40 HGAB O=C(Nc1ccc(I)cc1)[C@@H]1CCCN1C(=O)c1ccco1 24987479 LXPUSEUWIZTSBE-ZDUSSCGKSA-N 410.211 3.128 0 40 HGAB COc1ccc(CNC(=O)c2ccc(Cn3cc(Br)cn3)o2)cc1OC 27981010 SMUVTSFOAPONBV-UHFFFAOYSA-N 420.263 3.234 0 40 HGAB COc1ccc(C(=O)CCC(=O)N[C@H](C)c2ccc(-n3cncn3)cc2)cc1OC 28668400 HLKWRVAPMDFDLY-OAHLLOKOSA-N 408.458 3.125 0 40 HGAB Cc1ccc([C@@H](C)NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)N(C)C)cc1 30862235 GAIZQMCXANJWFP-GOSISDBHSA-N 403.548 3.102 0 40 HGAB COc1ccc(-c2nn3c(c2C)NC(=O)C[C@@H]3C(=O)Nc2ccccc2OC)cc1 32073610 ZRPOGRNCPBQIFN-QGZVFWFLSA-N 406.442 3.398 0 40 HGAB Cc1ccccc1[C@@H](OC[C@@H](O)Cn1nnc2ccccc2c1=O)c1ccccc1 32854261 KUOSGMFIVABBON-CVDCTZTESA-N 401.466 3.267 0 40 HGAB COC[C@H](C)NC(=O)c1cc(S(=O)(=O)Nc2ccccc2F)ccc1Cl 33028564 YNPAQOOEXPVZTB-NSHDSACASA-N 400.859 3.045 0 40 HGAB CCc1ccccc1NC(=O)CN1CCN(C(=O)Cc2c(F)cccc2Cl)CC1 35288631 AEPQQXKOUFALHU-UHFFFAOYSA-N 417.912 3.367 0 40 HGAB O=C1C[C@H](C(=O)N2CCC(O)(c3ccc(Cl)cc3)CC2)CN1Cc1ccccc1 36366678 BBYPYGHSQSAYGD-SFHVURJKSA-N 412.917 3.199 0 40 HGAB CC[C@H](C)[C@@H](NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc(Cl)cc1)C(=O)OC 36584640 LZQXNDIRDZVDCF-XZOAIXRZSA-N 404.898 3.308 0 40 HGAB Cn1c(=O)n(C)c2cc(NC(=O)C3CCN(Cc4ccccc4Cl)CC3)ccc21 39748673 NOEJDVIZWYEJKY-UHFFFAOYSA-N 412.921 3.381 0 40 HGAB Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1cccc([C@@]2(C)NC(=O)NC2=O)c1 40117791 GRYVBZJRCYMBMN-MPBGBICISA-N 401.850 3.109 0 40 HGAB COCc1cc(NC(=O)c2ccccc2SCC(=O)N(C)C)cc2c1OCOC2 40151057 NJTUQHDKVKFBCJ-UHFFFAOYSA-N 416.499 3.132 0 40 HGAB CCc1ccc(CNC(=O)C(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)s1 41883986 GNMJXBDSJNFWMB-KBPBESRZSA-N 419.522 3.318 0 40 HGAB O=C(Nc1nnc(-c2ccccn2)s1)N[C@@H](CN1CCCC1=O)c1ccccc1 47791283 JYVRXXDOMPPPJK-INIZCTEOSA-N 408.487 3.085 0 40 HGAB CN(C(=O)CSc1nnc(CC(=O)Nc2ccccc2F)n1C)C1CCCCC1 48513728 KQTCWBVAFZSFSY-UHFFFAOYSA-N 419.526 3.019 0 40 HGAB CCCCCn1c(=O)c2ccccc2n(CC(=O)Nc2cc(F)cc(F)c2)c1=O 51357769 KPZVXSTWIMWZDD-UHFFFAOYSA-N 401.413 3.270 0 40 HGAB COC(=O)[C@H]1CN(C(=O)CN(C)Cc2ccc(C(F)(F)F)cc2)c2ccccc2O1 57504094 XTSULRZSKCZPMO-GOSISDBHSA-N 422.403 3.104 0 40 HGAB COc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCC(C(N)=O)CC2)cc1Cl 58175575 LRKOYXASIBWSDH-LJQANCHMSA-N 401.894 3.226 0 40 HGAB C[C@@H](NC(=O)Cn1nc(-c2ccc3c(c2)OCCCO3)ccc1=O)c1ccc(F)cc1 58377807 MJBMPBZMXDKOTP-OAHLLOKOSA-N 423.444 3.088 0 40 HGAB COC(=O)c1ccsc1NC(=O)[C@@H]1CC(=O)N(c2cc(Cl)ccc2OC)C1 59326345 JELZSULBJHKDJD-SNVBAGLBSA-N 408.863 3.188 0 40 HGAB CCN1C(=O)[C@@](O)([C@H]2CCc3ccccc3C2=O)c2cc(Br)ccc21 72193813 PBYBVYXKGRMOFY-MGPUTAFESA-N 400.272 3.449 0 40 HGAB CCN(CC)C(=O)CN1CCC(n2c(C3CC3)nc3sc(C)c(C)c3c2=O)CC1 72335682 YCRAUSNMRJPRRX-UHFFFAOYSA-N 416.591 3.458 0 40 HGAB CN(C)CC(=O)N1CCCC[C@H]1c1nc(N)ncc1-c1cccc(C(F)(F)F)c1 72377180 UERBNJJDXNBNPK-INIZCTEOSA-N 407.440 3.360 0 40 HGAB c1ccc(OCCn2nc(C3CCN(C4CCOCC4)CC3)c3nccnc32)cc1 72395869 QWDYESMAQSEQCH-UHFFFAOYSA-N 407.518 3.264 0 40 HGAB CN(CC(=O)N[C@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C)C(=O)c1cccs1 78877542 CYKUXIKCLVBMAN-GJZGRUSLSA-N 409.552 3.020 0 40 HGAB CC[C@H](NC(=O)C1CCN(c2ncnc3sc(C)c(C)c23)CC1)c1noc(C)n1 78971756 FIQLZMVPIYBVSM-HNNXBMFYSA-N 414.535 3.483 0 40 HGAB COc1ccc(NC(=O)COC(=O)Cc2ccccc2Br)c(OC)c1 95471768 BPFKORCWFDWIKD-UHFFFAOYSA-N 408.248 3.191 0 40 HGAB CS(=O)(=O)c1cccc(Cl)c1C(=O)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1 95993606 DXIBTKRKCYYBRD-OAHLLOKOSA-N 422.890 3.113 0 40 HGAB Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1COCCN1C(=O)NCc1cccnc1 95998833 RGWBNNFXHNOCIX-NRFANRHFSA-N 405.502 3.226 0 40 HGAB C[C@@H](CCNS(=O)(=O)c1c(Cl)cc(F)cc1Br)CC(=O)O 97165136 UTSUILWOXFKFNY-ZETCQYMHSA-N 402.669 3.021 0 40 HGAB COc1ccc(C2=NO[C@H]3C(=O)N(c4ccc5ccccc5c4)C(=O)[C@@H]23)c(OC)c1 101359085 OCDKRZKEVHNGKR-PZJWPPBQSA-N 402.406 3.150 0 40 HGAB Cc1nc(-c2ccc(CCNC(=O)[C@H](C)N3C(=O)[C@H]4CC=CC[C@H]4C3=O)cc2)cs1 101427333 QWJZYRHKBOYDGS-ZOCIIQOWSA-N 423.538 3.117 0 40 HGAB COc1cc2c(cc1OC)CN([C@H]1CC(=O)N(c3ccc(C)c(Cl)c3)C1=O)CC2 102332191 XQXZJHMELSJZTG-SFHVURJKSA-N 414.889 3.356 0 40 HGAB COC(=O)[C@H]1[C@@H](C(=O)O)[C@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl 102911244 QKWFVUXZTLJYQY-QXLRJHSISA-N 402.872 3.322 0 40 HGAB Cc1ccc(C)c([C@@H](C)NC(=O)CCCN2C(=O)c3ccccc3S2(=O)=O)c1 219441054 VCXMLNFGGVTZRJ-MRXNPFEDSA-N 400.500 3.106 0 40 HGAB Cc1ccc(N(CCCC(=O)N[C@@H](C)COc2ccccc2C)S(C)(=O)=O)cc1 219628941 SUUSIXGLYVQWKD-IBGZPJMESA-N 418.559 3.433 0 40 HGAB CC(C)Oc1cccc(N(CC(=O)N[C@@H](C)CCc2ccccc2)S(C)(=O)=O)c1 220108290 LCERIAABYCBRLW-SFHVURJKSA-N 418.559 3.377 0 40 HGAB CCOC(=O)c1cccc(NC(=O)c2ccc(N3CCCCS3(=O)=O)cc2)c1C 222586802 HAUXEEZSZDIYIO-UHFFFAOYSA-N 416.499 3.354 0 40 HGAB CN(CCCNC(=O)CCCN(c1ccccc1F)S(C)(=O)=O)c1ccccc1 222662578 LBFYWNNONLWKDB-UHFFFAOYSA-N 421.538 3.015 0 40 HGAB CCOC(=O)c1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)NCC(C)C)c1 223259226 IXMSKOROEQYXMB-UHFFFAOYSA-N 418.515 3.358 0 40 HGAB COc1ccc(S(=O)(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1C(C)C 223875359 BVNWHMVCNMKTTL-CQSZACIVSA-N 411.545 3.262 0 40 HGAB COc1ccc(N([C@@H](C)C(=O)NCC2CCCCC2)S(C)(=O)=O)cc1Cl 224048849 GQJRZSPCFWHCMP-ZDUSSCGKSA-N 402.944 3.200 0 40 HGAB O=S(=O)(NCc1ccnc(N2CCCCC2)n1)c1cc(Cl)ccc1Cl 224212828 REBXMMJOYXOZFR-UHFFFAOYSA-N 401.319 3.252 0 40 HGAB CC[C@@H](C(=O)NCCOc1ccc(F)cc1)N(c1ccc(C)c(C)c1)S(C)(=O)=O 224314206 OLSGFXZFRKLACI-FQEVSTJZSA-N 422.522 3.182 0 40 HGAB Cc1cccc(OCCNC(=O)CCCN(c2cccc(C)c2)S(C)(=O)=O)c1 224626834 HRFAJJXEKGVDMY-UHFFFAOYSA-N 404.532 3.045 0 40 HGAB CCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(F)cc1 225037965 ZXWIOLVGFKBLNZ-INIZCTEOSA-N 402.466 3.157 0 40 HGAB COC(=O)c1ccc(NC(=O)Cn2ccc(=O)c3ccc(Br)cc32)cc1 225740659 IHDHKAPYYKPFAM-UHFFFAOYSA-N 415.243 3.189 0 40 HGAB CS(=O)(=O)N[C@@H](CC(=O)Nc1ccc(Br)cc1)c1ccc(F)cc1 225945879 MAAHDJHOAWRPMD-HNNXBMFYSA-N 415.284 3.207 0 40 HGAB CCCCN(c1ccccc1C(=O)O)S(=O)(=O)c1ccc(OC)c(C(=O)O)c1 226856555 UAUJGYWKOPSJAN-UHFFFAOYSA-N 407.444 3.087 0 40 HGAB COc1ccc(Cl)cc1N([C@H](C)C(=O)NC[C@@H](C)c1ccccc1)S(C)(=O)=O 260854530 ZKPRAFOGUZYUAV-HUUCEWRRSA-N 424.950 3.423 0 40 HGAB Cc1cnc(C(=O)N[C@@H]2CCCC[C@]23CN(Cc2ccc(C)s2)CCO3)cn1 306140204 UMYKQTRSKAHTMK-CTNGQTDRSA-N 400.548 3.099 0 40 HGAB CC(C)n1ccc2c1CN(C(=O)c1cnn(C)c1)Cc1cn(Cc3ccccn3)nc1-2 306143343 XZRXKTNQXZHPJL-UHFFFAOYSA-N 415.501 3.265 0 40 HGAB CCc1cccc(CC)c1NC(=O)COC(=O)[C@H]1CC(=O)N(c2ccc(OC)cc2)C1 408663493 YKMTUXJDZSDPLN-SFHVURJKSA-N 424.497 3.355 0 40 HGAB COc1ccc(N(CC(=O)Nc2ccccc2C(C)C)S(C)(=O)=O)cc1OC 409126699 MPBBOSNUHOYOGD-UHFFFAOYSA-N 406.504 3.232 0 40 HGAB CCOc1cc(/C=C2\SC(=O)N(CC(=O)NCC(C)C)C2=O)c(C)cc1OC 409213532 PPCDWVYXMWDVLG-MFOYZWKCSA-N 406.504 3.211 0 40 HGAB COc1ccc(Cc2nnc(NC(=O)CC3(n4cccc4)CCOCC3)s2)cc1 524732493 JAYMEYQQDFQQLX-UHFFFAOYSA-N 412.515 3.474 0 40 HGAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCC3=CCCCC3)C2)cc1 809630 IPMHGQAUKRTQRG-LJQANCHMSA-N 420.575 3.493 0 40 HGAB C[C@@](O)(CS(=O)(=O)Cc1ccccc1)C(=O)Nc1cccc(C(F)(F)F)c1 1388642 IERKEXQSHCCPAG-QGZVFWFLSA-N 401.406 3.010 0 40 HGAB Cc1nn(-c2ccccc2)c2sc(C(=O)NC(=S)N[C@H]3CCSC3=O)cc12 1794945 FZQBXFNGQPOWIY-ZDUSSCGKSA-N 416.553 3.032 0 40 HGAB CN(CC(=O)NC(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(F)cc1 3573658 MMMTUOLVGCBUAN-UHFFFAOYSA-N 412.486 3.352 0 40 HGAB COc1ccccc1CNC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 3609118 FAFUSBCJGNUVKE-NRFANRHFSA-N 414.461 3.219 0 40 HGAB Cc1cc(C)c2cc(CN(CCCO)C(=S)NCc3ccccc3)c(=O)[nH]c2c1 4132455 TXRMLSZJCJNJDG-UHFFFAOYSA-N 409.555 3.404 0 40 HGAB CCCOc1ccccc1[C@@H]1C(C(=O)Nc2ccccc2OC)=C(C)Nc2nnnn21 4368775 OLGSOCVZUHMHAZ-HXUWFJFHSA-N 420.473 3.398 0 40 HGAB CCOC(=O)N1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(OC)c(OC)c2)N3)C1 4525540 WBSVZZOLBQANFL-QGZVFWFLSA-N 417.487 3.134 0 40 HGAB CC1CCN(C(=O)C(=O)c2cn(CC(=O)N3CCCCCC3)c3ccccc23)CC1 5087266 PIZBNNLKVMFYPZ-UHFFFAOYSA-N 409.530 3.485 0 40 HGAB CCOC(=O)c1nn(-c2ccccc2F)c(=O)c2c(NC(=O)C3CC3)scc12 5107135 YMYDFVBUCBDNAM-UHFFFAOYSA-N 401.419 3.112 0 40 HGAB CCOc1ccc(CCNC(=O)COC(=O)c2cccc(N(C)C)c2)cc1OCC 5402614 SMMHMSVMAAQRHY-UHFFFAOYSA-N 414.502 3.066 0 40 HGAB CSc1ccccc1NC(=O)COc1ccc(S(=O)(=O)NCC(C)C)cc1 6326775 HKRJVSJMKWVPEX-UHFFFAOYSA-N 408.545 3.360 0 40 HGAB Cc1cccc(N(CC(=O)Nc2ccc(Br)cc2F)S(C)(=O)=O)c1 6478799 QQKGLSYGDGBTFU-UHFFFAOYSA-N 415.284 3.301 0 40 HGAB CC1(C)Cc2c(sc3nc(SCC(N)=O)n(C4CCCCC4)c(=O)c23)CO1 6664478 MOZDHUORBZFYKP-UHFFFAOYSA-N 407.561 3.392 0 40 HGAB CCn1c(S[C@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)nnc1C1CC1 6993417 BDWIQYRXJYEJFH-CQSZACIVSA-N 401.536 3.131 0 40 HGAB COc1ccccc1C(=O)N[C@H](CCSC)C(=O)N[C@@H]1CCOc2ccccc21 7217267 NMDOTXYHBLDLAL-QZTJIDSGSA-N 414.527 3.187 0 40 HGAB Cc1ccc(C)c(OCC(=O)OCC(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)c1 7799445 VGJXSRKBUOZFBR-UHFFFAOYSA-N 414.502 3.020 0 40 HGAB COc1ccccc1N1C[C@H](C(=O)Nc2ccc(C(=O)OCC(C)C)cc2)CC1=O 7882347 SDUZDOUFPMAASG-QGZVFWFLSA-N 410.470 3.500 0 40 HGAB CN(CC(=O)Nc1ccccc1C(=O)NC1CC1)Cc1ccccc1N1CCCC1 8194105 ANUBQOZHRONWON-UHFFFAOYSA-N 406.530 3.250 0 40 HGAB COc1cc(C(=S)N2C[C@H](C)O[C@@H](C)C2)ccc1OCC(=O)Nc1ccccc1 8271004 OFPNTQINECJNLT-HOTGVXAUSA-N 414.527 3.497 0 40 HGAB COc1ccc(CN(C)CC(=O)Nc2cc(Cl)ccc2-n2cncn2)cc1F 8309058 IAIQWELJJRUWDW-UHFFFAOYSA-N 403.845 3.139 0 40 HGAB O=C(Cn1[nH]c(=O)c2ccccc2c1=O)N1CCCC[C@H]1c1nc2ccccc2s1 9748713 UHXHWWWCMRIVKJ-KRWDZBQOSA-N 420.494 3.053 0 40 HGAB C[C@@H](Sc1nnc(-c2ccncc2)n1C1CC1)C(=O)N1CC(=O)Nc2ccccc21 9789029 XJYXKHVRHRFOMW-CYBMUJFWSA-N 420.498 3.141 0 40 HGAB Cc1cc(-c2cncnc2[C@@H]2CCCN(C(=O)c3ccc4c(c3)OCCO4)C2)on1 12118385 OTHLZLNFWFAOIH-MRXNPFEDSA-N 406.442 3.231 0 40 HGAB Cc1nn(CC(=O)Nc2ccc(F)cc2)c(=O)c2c1cnn2-c1cccc(Cl)c1 12228110 CBRKEEXLHWCUAP-UHFFFAOYSA-N 411.824 3.322 0 40 HGAB Cc1cc(C)n(C)c(=O)c1C(=O)N[C@@H]1CC(C)(C)Cc2nc(-c3ccncc3)ncc21 12254295 SWIDIEXUOBZNAO-LJQANCHMSA-N 417.513 3.298 0 40 HGAB C[C@@H]1CCCN(CC(=O)N(C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C1 12858524 CMDRFEMCQDXWLA-GFCCVEGCSA-N 405.848 3.488 0 40 HGAB CC(C)c1ccc([C@H](NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)C(C)C)cc1 12946723 VPDZNGQBNLMBKU-OAQYLSRUSA-N 414.527 3.468 0 40 HGAB CC[C@@H](C(=O)N(C)Cc1ccc(OC)cc1)N(c1ccc(F)cc1)S(C)(=O)=O 13715959 XXHMNLLBQPFRRA-IBGZPJMESA-N 408.495 3.038 0 40 HGAB COc1ccc(C2=Nn3c(nnc3-c3ccc(OC)cc3OC)SC2)c(OC)c1 13828690 VSVPIHLUWLBSLB-UHFFFAOYSA-N 412.471 3.338 0 40 HGAB CCCn1c(SCC(=O)Nc2ccc3c(c2)OCCO3)nc2ccccc2c1=O 15225986 VIRAKXWYKLZMGO-UHFFFAOYSA-N 411.483 3.309 0 40 HGAB COc1ccc(C)cc1-c1csc(NC(=O)CN2C(=O)COc3ccccc32)n1 15637641 DXTBLZUBCPTREO-UHFFFAOYSA-N 409.467 3.491 0 40 HGAB COCCCNc1nc2ccccc2nc1NS(=O)(=O)c1ccc(C)c(C)c1 17248715 LFTAPUQGAOHXDL-UHFFFAOYSA-N 400.504 3.496 0 40 HGAB C[C@H](Oc1ccccc1F)C(=O)N1CC[C@@H](c2cc(O)nc(-c3ccncc3)n2)C1 19077682 IDVXEYXWPSKWCF-GOEBONIOSA-N 408.433 3.167 0 40 HGAB Cc1ccn(CCC(=O)N2CCC[C@@H]2c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C)N3)n1 19238072 MMTZNJULRORELI-FVQBIDKESA-N 410.444 3.449 0 40 HGAB Cn1cc(CN2CCC[C@@H]([C@@H](NC(=O)Cc3ccccc3)c3ccccn3)C2)cn1 19290669 PKBWIODTSVJKRX-ZJSXRUAMSA-N 403.530 3.127 0 40 HGAB COc1cccc([C@H](NC(=O)[C@H]2CC(=O)N(Cc3cccnc3)C2)c2ccccc2)c1 19564873 TXVPPTBAVQCFOQ-XUZZJYLKSA-N 415.493 3.345 0 40 HGAB Cc1[nH]c2cccc(C(=O)N3CCO[C@H](c4nc(-c5ccncc5)no4)C3)c2c1C 19576787 FFSCLXAPTVUDHN-SFHVURJKSA-N 403.442 3.443 0 40 HGAB CN(C)C(=O)c1ccc([C@H]2CCCN(C(=O)C(C)(C)Oc3ccc(F)cc3)C2)nc1 19705904 RZKAQBGNLYEZSG-KRWDZBQOSA-N 413.493 3.486 0 40 HGAB COc1ccc(Br)cc1S(=O)(=O)NCCCn1cnc2ccccc21 20004481 DIIOBAHTWJKXFQ-UHFFFAOYSA-N 424.320 3.176 0 40 HGAB COc1cc2c(cc1OC)N(C)S(=O)(=O)C(C(=O)Nc1ccc(C)cc1)=C2C 20063932 RMSNOKVGWMFFLB-UHFFFAOYSA-N 402.472 3.162 0 40 HGAB Cc1ccc(-c2noc(-c3cn(CC(=O)NC(C)C)c4nc(C)ccc4c3=O)n2)cc1 21655345 UHKREWVZMMHOCX-UHFFFAOYSA-N 417.469 3.255 0 40 HGAB Cc1ccc2c(c1)C(=O)C(=O)N2CN1CCN([C@@H](C)c2nc3ccccc3s2)CC1 22915827 REASEHPVLUWMOR-INIZCTEOSA-N 420.538 3.470 0 40 HGAB COC(=O)c1ccc2[nH]c3c(c2c1)CN(C(=O)c1cc2ccccc2oc1=O)CC3 25452620 HDBJMNZKJQCIGU-UHFFFAOYSA-N 402.406 3.259 0 40 HGAB Cc1nc(SC[C@H]2CSc3nnc(-c4ccccc4)n32)sc1CC(N)=O 26118798 QKVLYPNLLILEQT-GFCCVEGCSA-N 403.558 3.177 0 40 HGAB CNCCN1C(=O)[C@H](OC(C)=O)[C@@H](c2ccc(OC)cc2)Sc2ccccc21 26979265 YOMLDISQSWWYOT-WOJBJXKFSA-N 400.500 3.026 0 40 HGAB biogenic,world COc1ccccc1-n1nnnc1SCC(=O)c1cccc(Br)c1 28047785 UUKJDOGUAJLBAZ-UHFFFAOYSA-N 405.277 3.408 0 40 HGAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3OC)CC2)cc1 30359557 PAISTWLLAKXUEM-UHFFFAOYSA-N 418.515 3.133 0 40 HGAB Cc1cc(OCC(=O)NC(=S)Nc2ccccc2N2CCOCC2)ccc1Cl 32114992 MMCVUBJPHIWIPK-UHFFFAOYSA-N 419.934 3.377 0 40 HGAB Cc1nc2c(C(=O)N3CCCC3)nc(-c3ccccc3)cc2n1[C@@H]1CCS(=O)(=O)C1 32616396 MVEONWGHOBCBDB-QGZVFWFLSA-N 424.526 3.002 0 40 HGAB C[C@H]1Oc2ccccc2N(CC(=O)Nc2c3c(nn2-c2ccccc2)CCC3)C1=O 32869050 ZKXKKRPJLBGFLP-OAHLLOKOSA-N 402.454 3.114 0 40 HGAB COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)c1oc2ccccc2c1C 32901576 UMWJSEOTYAOODR-UHFFFAOYSA-N 400.456 3.443 0 40 HGAB Cc1ccc(C(=O)[C@H]2[C@H]3C(=O)N(c4ccc(C)cc4C)C(=O)[C@@H]3[C@H]3CCCN32)cc1 35377984 OFZSRVMXIITFEV-YUMYIRISSA-N 402.494 3.447 0 40 HGAB CC1(C)CCCN(C(=O)[C@H]2CCCN(S(=O)(=O)CCCc3ccccc3)C2)C1 38756044 XOQTZUXDDKOILQ-FQEVSTJZSA-N 406.592 3.310 0 40 HGAB CCOC(=O)c1cc2cc(NC(=O)c3c(C)oc4ncn(C)c(=O)c34)ccc2s1 40082371 LIMZMHHJPFNRHH-UHFFFAOYSA-N 411.439 3.479 0 40 HGAB NC(=O)c1cccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(F)cc2F)c1 40149765 KVUDXUANSOJCNA-UHFFFAOYSA-N 416.449 3.455 0 40 HGAB CC1(C)Cc2c(sc3c2c(N)nc(=O)n3CC(=O)Nc2ccc(Cl)cc2)CO1 40266798 WLYIXSBJHCWILW-UHFFFAOYSA-N 418.906 3.184 0 40 HGAB O=c1n(Cc2ccccn2)nc2c(-c3nc(-c4ccc(Cl)cc4)no3)cccn12 49006632 RVTJEXTWFZIYBC-UHFFFAOYSA-N 404.817 3.310 0 40 HGAB C[C@H](Sc1nnc2c(Cl)cc(C(F)(F)F)cn12)C(=O)NC[C@@H]1CCCO1 49843313 KUFIFZBSSOZXIA-WPRPVWTQSA-N 408.833 3.177 0 40 HGAB O=C(Cn1c(=O)n(-c2cccc(Cl)c2)c(=O)c2sccc21)NC1CCCCC1 57491336 QRFSCLUKUPSCFQ-UHFFFAOYSA-N 417.918 3.316 0 40 HGAB COc1ccc(OC)c(NC(=O)NC[C@H](O)COc2cccc(C(F)(F)F)c2)c1 58304491 HBTOJUOHRCUAII-ZDUSSCGKSA-N 414.380 3.284 0 40 HGAB CC[C@H]1CN(C(=O)CCc2cnn(C)c2)[C@H](CC)CN1C(=O)OCc1ccccc1 78869539 NWXUMNLFIOQFLJ-RTWAWAEBSA-N 412.534 3.391 0 40 HGAB Cc1sc(-n2cccc2)c(C(=O)OCC(=O)N2CCO[C@H]3CCCC[C@H]32)c1C 84062010 GCPRJMMSZQBWTK-SJORKVTESA-N 402.516 3.482 0 40 HGAB C[C@@H](C[C@@H](O)c1ccco1)NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 84637138 WOGLAICMAMLOPL-HNAYVOBHSA-N 414.483 3.322 0 40 HGAB O=C(O)CCNC(=O)c1ccc(NC(=O)c2cnc(-c3ccsc3)s2)cc1 95425084 UIJULHINCJASMS-UHFFFAOYSA-N 401.469 3.328 0 40 HGAB CCOC(=O)c1nn(-c2ccccc2)cc1CN1CCN(C(=O)c2ccccc2)CC1 95453769 VSMVGBWFGJUXOZ-UHFFFAOYSA-N 418.497 3.007 0 40 HGAB COc1ccc(N2CCC[C@H](C(=O)N[C@H](c3nc4ccccc4[nH]3)C(C)C)C2)nn1 95474139 NBSNZJQGUVUOAS-YWZLYKJASA-N 408.506 3.091 0 40 HGAB CN(C)C1CCN(C(=O)c2cc(-c3cnc(-c4cccc(F)c4)nc3)cn2C)CC1 96147652 STJLJHSKRURYGO-UHFFFAOYSA-N 407.493 3.454 0 40 HGAB Cc1cccc(CN2CCC[C@@]3(CCN(S(=O)(=O)c4ccc(F)cc4)C3)C2)n1 96216184 MQBLCJHMPYUPMS-OAQYLSRUSA-N 403.523 3.206 0 40 HGAB COc1ccc(S(=O)(=O)C2CN(C(=O)CCc3c(F)cccc3Cl)C2)cc1 96377939 GDROGIOPMHZEMN-UHFFFAOYSA-N 411.882 3.105 0 40 HGAB COc1ccc(-c2cc(N3CCC(NC(=O)Cc4ccccc4OC)CC3)[nH]n2)cc1 98212747 OOWIONJDGJLESR-UHFFFAOYSA-N 420.513 3.422 0 40 HGAB CC(=O)C1=NN(c2ccc(Cl)cc2)[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]12 100738643 DFAQYSXEXHQLIA-NVXWUHKLSA-N 402.237 3.317 0 40 HGAB COc1ccc(N[C@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)c(OC)c1 101276997 DEJZDENKHHRSFF-HNNXBMFYSA-N 405.248 3.210 0 40 HGAB O=C(c1ccc(CNC(=O)C23C[C@H]4C[C@@H](CC(Cl)(C4)C2)C3)cc1)N1CCOCC1 102747400 WNSWLAFKLYDYCW-YUOVDFJASA-N 416.949 3.353 0 40 HGAB COc1ccc(N(CCCC(=O)N[C@H](C)c2ccc(F)cc2)S(C)(=O)=O)cc1 113961066 LLIYHDRGQBEGET-OAHLLOKOSA-N 408.495 3.258 0 40 HGAB Cc1ccc(N(CCCC(=O)N[C@H](C)COc2ccccc2C)S(C)(=O)=O)cc1 219629020 SUUSIXGLYVQWKD-LJQANCHMSA-N 418.559 3.433 0 40 HGAB Cc1cc(C(=O)O)ccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCO)o1 223595876 FZKULIQTCCYIOC-PMACEKPBSA-N 423.494 3.313 0 40 HGAB CCC(=O)N1CCc2cc(S(=O)(=O)Nc3nnc(SC(C)C)s3)ccc21 224162146 QBXMWEWYBBBEFL-UHFFFAOYSA-N 412.562 3.139 0 40 HGAB COCCCNC(=O)c1cc(N(C)S(=O)(=O)c2ccc(C)cc2)ccc1Cl 224339393 FQUUSTPPOUYBHU-UHFFFAOYSA-N 410.923 3.240 0 40 HGAB CCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)COc1ccccc1OC 224353052 ZEXDKWVLGSGDCH-GOSISDBHSA-N 402.466 3.157 0 40 HGAB CO[C@H](CNC(=O)CCc1ccc(S(C)(=O)=O)cc1)c1ccc(Cl)s1 225704617 HAQWYCOLKAIWGX-CQSZACIVSA-N 401.937 3.242 0 40 HGAB COc1ccc(NC(=O)C(C)(C)NS(=O)(=O)c2ccc(Cl)cc2)c(OC)c1 225958174 JTCXJCNQZKSFNS-UHFFFAOYSA-N 412.895 3.053 0 40 HGAB CC(C)S(=O)(=O)c1ccc(CC(=O)NCCc2cnc(-c3ccccc3)nc2)cc1 240178605 ZCDFOENVIADAHY-UHFFFAOYSA-N 423.538 3.227 0 40 HGAB O=C(N[C@H](c1ccccn1)[C@@H]1CCCN(C(=O)[C@@H]2[C@H]3CCCC[C@H]32)C1)[C@H]1CCCO1 247509929 SQEXUZFWXRQSRK-ORHJNQCKSA-N 411.546 3.093 0 40 HGAB CC(C)NC(=O)C1(Cc2cccc(-c3cncnc3)c2)CCN(C(=O)C(C)C)CC1 257302549 SDHWMOYIRKQHON-UHFFFAOYSA-N 408.546 3.476 0 40 HGAB CC(=O)N1[C@@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)N2C(=O)c1cccc(O)n1 257317068 VIFSAXBMWSBEPR-CZLVRFMKSA-N 419.525 3.403 0 40 HGAB C[C@]1(O)CN(CC(=O)Nc2nc3ccc(F)cc3s2)CC[C@@H]1Oc1ccccc1 257331589 XTNGXKQHTKWOLY-RXVVDRJESA-N 415.490 3.278 0 40 HGAB COc1ccc2c(c1)[C@H]1[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3[C@H]2N1C(=O)C(C)(C)C 261829881 XCNLNARRXZIKMF-ZRNYENFQSA-N 404.466 3.485 0 40 HGAB COc1ccc(S(=O)(=O)N(CC(=O)NCC(C)C)Cc2ccccc2)cc1Cl 408583523 HVJFXVKZKJKKJV-UHFFFAOYSA-N 424.950 3.312 0 40 HGAB COc1cc2nc(NN)n(-c3ccc(C(F)(F)F)c(Cl)c3)c(=O)c2cc1OC 408712689 IOPOVEIFZNMUFV-UHFFFAOYSA-N 414.771 3.361 0 40 HGAB Cc1cccc(C(=O)NCc2nnc(SCC(=O)Nc3cc(C)ccc3C)n2C)c1 409061038 BOLXCTVSAJKUIM-UHFFFAOYSA-N 423.542 3.401 0 40 HGAB Cc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2)cc1C 409130970 IYNAIXLJLZQEAG-OAHLLOKOSA-N 400.862 3.492 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N(C)Cc3ccccc3)C2)cc1C 409375943 RFPFMURYUJKFFL-LJQANCHMSA-N 416.543 3.063 0 40 HGAB CCC[C@@H](C)NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(OC)cc1 409388578 MPLDXJHGSWBANR-QGZVFWFLSA-N 404.532 3.191 0 40 HGAB Cc1cccnc1Nc1nccnc1C1CCN(C(=O)/C=C/c2cccnc2)CC1 585292271 GLXUSQWRAOYGEO-VOTSOKGWSA-N 400.486 3.738 0 40 HGAB Cc1cccc(C(=O)NCc2noc([C@@H]3CCC(=O)N3Cc3ccccc3F)n2)c1 1775964061 PURAFHFTOSAHQT-SFHVURJKSA-N 408.433 3.311 0 40 HGAB biogenic,in-vitro CCC(CC)C(=O)N1CCC(COc2ccccc2)(CC(=O)N2CCOCC2)CC1 2037905537 ZYAGODABAFZPQQ-UHFFFAOYSA-N 416.562 3.359 0 40 HGAB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(Br)cc2)n2nnnc2N1 703581 WZHITLSLJFKKRT-MRXNPFEDSA-N 411.263 3.363 0 40 HGAB Nc1c(C(=O)NC[C@@H]2CCCO2)c2nc3ccccc3nc2n1-c1cccc(F)c1 2290838 GNJNUHCTMYGSFG-HNNXBMFYSA-N 405.433 3.204 0 40 HGAB C[C@@H]1CCc2c(C(=O)N3CCN(S(=O)(=O)c4cccs4)CC3)csc2C1 3414465 XAQGFYNIWOTICI-CYBMUJFWSA-N 410.586 3.081 0 40 HGAB NC(=O)c1oc2ccccc2c1NC(=O)CCCCCN1C(=O)c2ccccc2C1=O 4594561 XTTRKMNARNCNBL-UHFFFAOYSA-N 419.437 3.327 0 40 HGAB CCCCCNC(=O)COc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2)cc1 6597169 OKQWGINAIHVLLV-KRWDZBQOSA-N 404.532 3.411 0 40 HGAB Cc1nc(N2CCN(S(=O)(=O)c3ccccc3)CC2)c2c(C)c(C)sc2n1 6825304 LIVSQVGVTFZZAB-UHFFFAOYSA-N 402.545 3.127 0 40 HGAB CCCNS(=O)(=O)c1ccc(OCC(=O)Nc2cc(Cl)ccc2OC)cc1 6880449 KODLRCPKDJDZSJ-UHFFFAOYSA-N 412.895 3.054 0 40 HGAB COc1ccc(C(=O)Nc2nccs2)cc1S(=O)(=O)N(C)Cc1ccccc1 6943491 GLWMKOYGGVKLNG-UHFFFAOYSA-N 417.512 3.225 0 40 HGAB O=C(CN1C[C@H](C(=O)N2CCCCC2)Oc2ccccc21)Nc1c(F)cccc1F 7251811 LUZREXGIELNEFY-LJQANCHMSA-N 415.440 3.183 0 40 HGAB CC(=O)c1oc2ccccc2c1NC(=O)CSc1nnnn1Cc1cccs1 8232458 DEONPHRGKAAKNZ-UHFFFAOYSA-N 413.484 3.463 0 40 HGAB Cc1ccc(S[C@@H](C)C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 8304911 KSDBIWAFDSFDAJ-INIZCTEOSA-N 422.547 3.148 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCCN(Cc3nc(-c4cccs4)no3)CC2)cc1 8938363 IJCYDJYWDLICTH-UHFFFAOYSA-N 418.544 3.003 0 40 HGAB COc1ccc(S(=O)(=O)Nc2ccc3c(c2)CN(C(=O)C2CC2)CC3)c(C)c1 8977413 CZPHVRYEBBJVCC-UHFFFAOYSA-N 400.500 3.099 0 40 HGAB O=C(c1cn(Cc2ccccc2)nc1-c1ccccc1)N1CCN(c2ncccn2)CC1 9253979 IMECTFWSUOTQFN-UHFFFAOYSA-N 424.508 3.351 0 40 HGAB CC[C@@H](C)n1c(C)c(C)n2c3c(=O)n(Cc4cc(C)ccc4C)c(=O)n(C)c3nc12 10104237 YDTWCNJWFWJVPO-OAHLLOKOSA-N 407.518 3.402 0 40 HGAB COC(=O)c1ccccc1N(C)C(=O)CN1CCC[C@@H]1c1ccc(OC)cc1OC 11440044 BJZRGACRKVVRBX-HXUWFJFHSA-N 412.486 3.290 0 40 HGAB CSc1ncc(CN2CCC(c3ncc(Cl)cc3S(C)(=O)=O)CC2)cn1 12186981 ZXVWKTNUTRGSLZ-UHFFFAOYSA-N 412.968 3.030 0 40 HGAB Cc1ccc(NC(=O)CN2CCN(C(=O)c3ccc4ccccc4c3O)CC2)cc1 12791897 DYLFAKYUWUKKHN-UHFFFAOYSA-N 403.482 3.250 0 40 HGAB COc1ccc(-c2csc3nc(C)nc(N[C@@H]4CCS(=O)(=O)C4)c23)cc1OC 12803458 JODZYLBDHMNZMW-CYBMUJFWSA-N 419.528 3.283 0 40 HGAB C[C@@H](Oc1ccc(Br)cc1)C(=O)N(C)Cc1nc2ccccc2c(=O)[nH]1 12972150 RZBOWZVJGOKFCO-GFCCVEGCSA-N 416.275 3.112 0 40 HGAB CC(=O)Nc1cc(NC(C)=O)cc(C(=O)OCc2nc(-c3cccs3)no2)c1 12979211 PUOJGIZCWGNQAW-UHFFFAOYSA-N 400.416 3.072 0 40 HGAB CCN(CC)c1oc(N(CC)CC)c(C(=O)Nc2ccccn2)c(=O)c1C(C)=O 13214857 VLNLNLKEQJOCPM-UHFFFAOYSA-N 400.479 3.182 0 40 HGAB O=C(/C=C/c1ccc2c(c1)OCO2)NCc1nnc2c(C(F)(F)F)cc(Cl)cn12 13591769 CNMDASBBUHRSNK-DUXPYHPUSA-N 424.766 3.460 0 40 HGAB CCS(=O)(=O)N1CCc2cc(C(=O)Nc3ccccc3Br)ccc21 13610202 RDSDHOCECWWQKC-UHFFFAOYSA-N 409.305 3.414 0 40 HGAB COc1ccc(-c2coc3cc(OCC(=O)N4C[C@H](C)O[C@H](C)C4)ccc3c2=O)cc1 13680767 UKNKVDUJKXHXEN-IYBDPMFKSA-N 423.465 3.483 0 40 HGAB biogenic COc1ccc(C2=NO[C@@]3(C(=O)Nc4ccccc43)[C@H]2C(=O)c2ccco2)cc1OC 15972670 OKUOKVJATFDHJJ-AUSIDOKSSA-N 418.405 3.378 0 40 HGAB Cc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2N2C[C@H](C)O[C@H](C)C2)cc1 18168702 LYBPKKPDRHMTSV-IYBDPMFKSA-N 412.515 3.353 0 40 HGAB CS(=O)(=O)Nc1ccccc1C(=O)OCc1cc(Cl)c2c(c1)OCCCO2 18263481 KJADJVVDYNRFPZ-UHFFFAOYSA-N 411.863 3.230 0 40 HGAB O=C(CN1CC2(CCOCC2)Oc2ccc(Cl)cc2C1=O)NC1CCCCC1 19345853 RCSNJUWDTJBKFN-UHFFFAOYSA-N 406.910 3.173 0 40 HGAB CCN1CCN(Cc2nccn2CC)C[C@H](Cc2ccccc2-c2ccncc2)C1=O 19578130 DFFPODKHKALWOY-QFIPXVFZSA-N 417.557 3.488 0 40 HGAB Cc1noc2nc(C(C)C)cc(C(=O)Nc3ccc(N4CCCS4(=O)=O)cc3)c12 19663576 MLWMPHHOVCAAGA-UHFFFAOYSA-N 414.487 3.447 0 40 HGAB COCCC(=O)N1CCC[C@@H]1c1nc(C)c2c(n1)N(CC1CCCCC1)C(=O)CC2 19740688 BCYPVFUZAZUFAL-LJQANCHMSA-N 414.550 3.345 0 40 HGAB C[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(c2ccc(C(N)=O)c(N)n2)CC1 19765768 RGGXKDLMGMNQCL-CYBMUJFWSA-N 400.910 3.001 0 40 HGAB CSc1ccc(CNC(=O)COc2cc(C)nc(N3CCC[C@@H](C)C3)n2)cc1 21360786 QBVVNLWZFISLQB-OAHLLOKOSA-N 400.548 3.438 0 40 HGAB CC1CCN(C(=O)[C@H](C)OC(=O)C2CCN(C(=O)Nc3ccccc3)CC2)CC1 22098366 LVINZZXHGAIDIP-KRWDZBQOSA-N 401.507 3.121 0 40 HGAB CCS(=O)(=O)N(C)c1cc(OC)c(OC)cc1C(=O)NCCC1=CCCCC1 22252511 QHRGFWPCULZIJK-UHFFFAOYSA-N 410.536 3.110 0 40 HGAB O=S(=O)(Cc1ccccc1)N1CCN(Cc2nc(-c3ccco3)cs2)CC1 22605848 HJTYQCGFNRFCPC-UHFFFAOYSA-N 403.529 3.051 0 40 HGAB O=C([C@@H]1CC(=O)N(c2cccc(Cl)c2)C1)N1CCC[C@H](c2nnc3ccccn23)C1 24457776 STWDHILRIKMIMZ-JKSUJKDBSA-N 423.904 3.142 0 40 HGAB C[C@@H](C1CC1)N(C)CC(=O)NCCN1C(=O)S/C(=C\c2ccccc2Cl)C1=O 24984695 ZRXGHGVSJAIWRS-MFVBVHDHSA-N 421.950 3.223 0 40 HGAB CCCCCNC(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Br 25090652 LWOSQNAGRWBAST-UHFFFAOYSA-N 405.358 3.446 0 40 HGAB Cc1cc(=O)c(C(=O)O[C@@H](C)C(=O)N2CCCc3ccccc32)nn1-c1ccccc1 26415833 MXXGTNNNLLWOPO-KRWDZBQOSA-N 417.465 3.066 0 40 HGAB COc1ccccc1-c1nc2s/c(=C/c3ccc(Br)cc3)c(=O)n2n1 26534103 NQAFLXYTHJSIGJ-XNTDXEJSSA-N 414.284 3.137 0 40 HGAB CCCc1noc([C@H](C)Sc2nc3cc(S(N)(=O)=O)ccc3n2CCC)n1 31739470 ZBNQCIITQYNWDD-NSHDSACASA-N 409.537 3.283 0 40 HGAB CCCn1cc(Br)c(NC(=O)c2cc(C3CC3)nc3c2cnn3C)n1 36616732 QTGBDXHFNSZIIZ-UHFFFAOYSA-N 403.284 3.467 0 40 HGAB O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(Cn2ccnc2)cc1 38850415 ROQCCKYSKVVKEP-UHFFFAOYSA-N 424.526 3.358 0 40 HGAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)NCCC2=CCCCC2)cc1C 39986159 UNBQRFURGSXBQC-UHFFFAOYSA-N 408.564 3.411 0 40 HGAB CC(C)[C@@H](Oc1ccccc1Br)C(=O)NCCNC(=O)c1ccccc1 44466820 NYJAOGXROCWZHM-GOSISDBHSA-N 419.319 3.399 0 40 HGAB C[C@H](Cc1c(F)cccc1F)NC(=O)c1sccc1S(=O)(=O)N1CCCC1 54576729 PYRIJMFJTNEQQY-GFCCVEGCSA-N 414.499 3.172 0 40 HGAB CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)CN1CCN(c2ccccc2)CC1 57050839 IPJLPXXDWAAJKE-UHFFFAOYSA-N 424.476 3.244 0 40 HGAB COc1ccc(C(=O)Cn2c(=O)n(CCc3ccccc3)c(=O)c3sccc32)cc1 57486232 IMDKLRYDVPBPHB-UHFFFAOYSA-N 420.490 3.359 0 40 HGAB CCOc1ccccc1N1C[C@H](C(=O)Nc2ccc(Br)cn2)CC1=O 57625929 SRNBAFYWAJFRPS-GFCCVEGCSA-N 404.264 3.234 0 40 HGAB C[C@H](Oc1ccc(F)cc1)C(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1Cl 58148056 XQDKMJBNCMHRAS-NSHDSACASA-N 412.870 3.326 0 40 HGAB COc1ccc(S(=O)(=O)NCCOc2cccc(C)c2)cc1Br 60568228 GUBXKTCHBMMWAI-UHFFFAOYSA-N 400.294 3.123 0 40 HGAB Cc1ccc(F)cc1-n1ccn(CC(=O)Nc2c(C)cccc2Cl)c(=O)c1=O 67320423 YEPNEWKOFCGSHJ-UHFFFAOYSA-N 401.825 3.047 0 40 HGAB O=C1N[C@]2(COC3(CCN(C[C@@H]4CCC=CO4)CC3)C2)Nc2ccc(Cl)cc21 72325618 VCYHICKOYHAHDL-HRAATJIYSA-N 403.910 3.139 0 40 HGAB Cc1ccc2nc([C@H]3CCCCN3C(=O)Cc3nc4nc(C)cc(C)n4n3)[nH]c2c1 72346792 JKDAXEZXVUMGSD-GOSISDBHSA-N 403.490 3.222 0 40 HGAB COc1cc(CN2CCC[C@H](c3cc(=O)[nH]c(-c4ccncc4)n3)C2)cc(OC)c1 72392928 JXPXMUIHCQWMEW-SFHVURJKSA-N 406.486 3.229 0 40 HGAB O=C(c1cc(O)nc(Cl)c1)N(c1ccc(O)cc1)S(=O)(=O)c1ccccc1 95469308 VLPUJWPKZNVKJP-UHFFFAOYSA-N 404.831 3.182 0 40 HGAB Cc1c(C(=O)N(CC(=O)OC(C)(C)C)C(C)C)nnn1-c1cccc2ncccc12 95980280 OEBMDAVQWPVQSP-UHFFFAOYSA-N 409.490 3.316 0 40 HGAB CN(C)C1CCN(C(=O)c2cc(-c3cnc(Nc4ccccc4)nc3)cn2C)CC1 96266335 BAZINZBWVJOXDZ-UHFFFAOYSA-N 404.518 3.392 0 40 HGAB CSCC[C@H](NC(=O)c1cc(-c2cccs2)n(C)n1)c1nnc2ccccn12 96344992 HSRUHOYREYYFLQ-ZDUSSCGKSA-N 412.544 3.416 0 40 HGAB Nc1ccccc1C(=O)N1CCN(c2nn3cc(-c4ccc(F)cc4)nc3s2)CC1 97020244 UWXBFUPWVAVAGO-UHFFFAOYSA-N 422.489 3.142 0 40 HGAB COc1cccc(C(=O)COc2ccc(NC(=O)[C@@H]3[C@@H]4C[C@H]5OC(=O)[C@H]3[C@H]5C4)cc2)c1 100646769 TXGRDFVGIGWWOK-RLJDJLJFSA-N 421.449 3.093 0 40 HGAB COc1ccc(OC)c(CN2[C@H]3CC[C@H]2CC(NC(=O)c2ccc4c(c2)OCO4)C3)c1 103213032 VWLYTYOKEMWVIE-OALUTQOASA-N 424.497 3.358 0 40 HGAB COc1ccc(OC)c(NC(=O)c2ccccc2N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)c1 165724413 VLLFGTHUZDMEOS-FJAKRLOMSA-N 418.449 3.268 0 40 HGAB O=C(NCCCc1ccc(F)cc1)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 219754032 RYWDMPMFCCYVLK-LJQANCHMSA-N 424.925 3.381 0 40 HGAB O=C(NCCCc1ccc(Cl)cc1)c1cccc(S(=O)(=O)N2CCCC2)c1 219976407 FVRGFQIWPMZJIF-UHFFFAOYSA-N 406.935 3.487 0 40 HGAB Cc1ccc(OC[C@@H](C)NC(=O)[C@@H](C)N(c2cccc(C)c2)S(C)(=O)=O)cc1 220149462 FPJSADZAFIQSDB-QZTJIDSGSA-N 404.532 3.042 0 40 HGAB CC[C@@H](C(=O)Nc1ccc(OC)cc1OC)N(c1ccccc1F)S(C)(=O)=O 220587267 MBFRXKBJXOYNQH-INIZCTEOSA-N 410.467 3.026 0 40 HGAB COc1ccc(CCNC(=O)[C@H](C)N(Cc2ccc(OC)cc2)C(=O)C(C)C)cc1 222985621 HCSQWVCNVZIFBJ-SFHVURJKSA-N 412.530 3.436 0 40 HGAB O=C(Nc1ccc2c(c1)OCO2)c1ccc2c(c1)CCN2S(=O)(=O)c1ccccc1 223067405 XMUCFRWPDLXAEP-UHFFFAOYSA-N 422.462 3.419 0 40 HGAB COc1ccc(C)cc1N(CC(=O)N[C@@H](C)c1ccc2c(c1)CCC2)S(C)(=O)=O 223169852 JXMJGNIXLIFMMK-INIZCTEOSA-N 416.543 3.136 0 40 HGAB Cc1cc(C)c([C@@H](C)NC(=O)c2ccc(N(C)S(=O)(=O)N(C)C)cc2)cc1C 223446686 DORNGUQBXPQFSX-QGZVFWFLSA-N 403.548 3.345 0 40 HGAB COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccn(-c2ccccc2)c1 223706627 KQVHYEASUBAKEB-LEWJYISDSA-N 406.511 3.408 0 40 HGAB CCn1c(=O)sc2cc(S(=O)(=O)NCCOc3cc(C)cc(C)c3)ccc21 224114312 KOAQYDXRFRNSPC-UHFFFAOYSA-N 406.529 3.057 0 40 HGAB COc1ccc([C@H](C)NC(=O)C[C@@H](NS(C)(=O)=O)c2ccc(Cl)cc2)cc1 225949447 NZWOSSAULVVHEY-SCLBCKFNSA-N 410.923 3.206 0 40 HGAB COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCC(C)(C)C)c(C)c2)cc1 226054241 GMGSEJPHOQWWFM-UHFFFAOYSA-N 420.531 3.346 0 40 HGAB COc1ncccc1CN1C[C@@H](c2cn(C(C)C)cn2)[C@]2(CCN(CC3CC3)C2=O)C1 306136337 PQIVDAGKHXRGNV-RDPSFJRHSA-N 423.561 3.096 0 40 HGAB CC(C)NS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(F)cc2)c(Cl)c1 409386110 LDPKYEBNMLKXND-UHFFFAOYSA-N 400.859 3.183 0 40 HGAB COCCN1C(=O)C[C@@H](CNC(=O)c2cccc(Cl)c2)[C@@H]1c1cnn(C(C)C)c1 583623201 XBUQWVVOIOICPN-OXJNMPFZSA-N 418.925 3.083 0 40 HGAB COc1ccc(CN2CCO[C@]3(CCCCN(C(C)C)C3=O)C2)cc1OC(C)C 2037984318 XLLDDIXPBUXJSD-HSZRJFAPSA-N 404.551 3.474 0 40 HGAB O=C(Nc1ccc(N2CCOCC2)cc1)c1cccc(I)c1 813246 ZJVDBKFGGMLBPM-UHFFFAOYSA-N 408.239 3.380 0 40 HGAB COc1ccc2c(c1OC)C(=O)O[C@H]2N1C(=O)CC[C@@H]1C(=O)Nc1cc(C)ccc1C 2096313 HLGXCWYPDZVPGK-OPAMFIHVSA-N 424.453 3.119 0 40 HGAB biogenic COc1cc(OC)c(C(=O)O[C@@H](C)C(=O)Nc2ccc(C(C)=O)cc2)cc1OC 3240356 PZLCCYVSVZZNQC-ZDUSSCGKSA-N 401.415 3.099 0 40 HGAB COc1ccc(-c2nc(CCNS(=O)(=O)c3cccs3)cs2)cc1OC 4166928 FGQXUYMIMFGIKH-UHFFFAOYSA-N 410.542 3.410 0 40 HGAB CCOC(=O)N1CCc2c(sc3c2C(=O)N[C@H](c2ccc(OC)c(OC)c2)N3)C1 4525538 WBSVZZOLBQANFL-KRWDZBQOSA-N 417.487 3.134 0 40 HGAB CC(=O)c1ccc(NC(=O)CSc2nnc(NC(=O)NC(C)(C)C)s2)cc1 4851485 PUSHRZMWEQLWFK-UHFFFAOYSA-N 407.521 3.392 0 40 HGAB Cc1occc1-c1nnc(SCC(=O)N2CCOCC2)n1[C@@H](C)c1ccccc1 4860300 DVNQEVKGUMWIHT-HNNXBMFYSA-N 412.515 3.407 0 40 HGAB CCOc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)COc1ccccc1C 5511446 BIAXFANBZCKWCA-UHFFFAOYSA-N 420.531 3.442 0 40 HGAB CCN(C(=O)CN1C(=O)N[C@](CC)(c2ccc(F)cc2)C1=O)c1ccc(F)cc1 6087395 BBFFBGDOPQGKFD-OAQYLSRUSA-N 401.413 3.175 0 40 HGAB Cc1cc(C)c(NC(=O)COc2ccccc2[C@H]2CC(=O)Nc3ncnn32)c(C)c1 6201336 NTUIQWMKLOJLIX-QGZVFWFLSA-N 405.458 3.152 0 40 HGAB C[C@@]1(c2cccc3ccccc23)NC(=O)N(CC(=O)N2CCc3ccccc3C2)C1=O 6552079 SYQVHRMLOBIJRD-VWLOTQADSA-N 413.477 3.192 0 40 HGAB CC(=O)c1cccc(NC(=O)C2CCN(S(=O)(=O)c3ccccc3F)CC2)c1 6597186 YEAJRMXOACUUDO-UHFFFAOYSA-N 404.463 3.068 0 40 HGAB CCc1ccc(O[C@@H](C)C(=O)N(Cc2ccccc2F)[C@@H]2CCS(=O)(=O)C2)cc1 6811086 SYDTWNFBCQUTRK-QFBILLFUSA-N 419.518 3.371 0 40 HGAB COc1cc(S(=O)(=O)N(Cc2ccco2)Cc2ccco2)ccc1NC(C)=O 6881394 RQHGZSMZZGTHLW-UHFFFAOYSA-N 404.444 3.231 0 40 HGAB O=C(CNC(=O)c1ccccc1F)Nc1nc(-c2ccc3c(c2)OCCO3)cs1 6968575 FXTUYDGWXMEJHC-UHFFFAOYSA-N 413.430 3.089 0 40 HGAB CN(C)S(=O)(=O)c1cc(NC(=O)c2cccc(OC(F)F)c2)ccc1Cl 7003087 WYWNWDSIWNROEA-UHFFFAOYSA-N 404.822 3.444 0 40 HGAB O=C(/C=C/c1ccc(F)cc1)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@@H]1CCCO1 7671630 OCTSKBFLLHSHQX-PEKVBPLLSA-N 407.445 3.283 0 40 HGAB COc1ccc(OC)c([C@H]2CCCN2CC(=O)NC(=O)Nc2ccccc2F)c1 7718668 MUVLVNRTHNXWGO-GOSISDBHSA-N 401.438 3.328 0 40 HGAB CC[C@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C)c1ccc(C)cc1 7792567 FQWKFHWJGACIGA-NRFANRHFSA-N 416.543 3.205 0 40 HGAB CN(C)S(=O)(=O)c1cccc(NC(=O)CNc2cc(Cl)cc(Cl)c2)c1 7972341 ZYHKGBXAGQEISZ-UHFFFAOYSA-N 402.303 3.294 0 40 HGAB CC(C)Cn1nc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)c2ccccc2c1=O 7985886 PEFGFGRBUIAMBS-UHFFFAOYSA-N 419.529 3.057 0 40 HGAB COc1cc(C(=S)N2CCOCC2)ccc1OCC(=O)Nc1cc(C)cc(C)c1 8335688 KWQGDJJZSKQFSL-UHFFFAOYSA-N 414.527 3.337 0 40 HGAB COc1cc(OC)c(N2C[C@@H](C(=O)NCCc3ccccc3F)CC2=O)cc1Cl 8341777 FXHLJRHPABROFB-AWEZNQCLSA-N 420.868 3.208 0 40 HGAB COc1ccccc1-c1nnc(SCc2nc(N)nc(Nc3ccccc3)n2)n1C 8710562 SRKNFOYIZUECFB-UHFFFAOYSA-N 420.502 3.294 0 40 HGAB Cc1ccc(S(=O)(=O)Nc2cc(Sc3ncn[nH]3)c3oc(=O)sc3c2)cc1 8870317 BJAJQSBOODHSNO-UHFFFAOYSA-N 420.497 3.233 0 40 HGAB O=C(NCc1cn2ccccc2n1)c1nn(Cc2ccccc2)c(=O)c2ccccc12 9376582 WSRZBBSWRCDPIL-UHFFFAOYSA-N 409.449 3.023 0 40 HGAB Cc1cccc(NC(=O)C(=O)NCCc2csc3nc(-c4ccc(F)cc4)nn23)c1 9568997 BBCPKMCNMMVEGG-UHFFFAOYSA-N 423.473 3.203 0 40 HGAB COc1ccc(N2CCn3c(SCC(=O)Nc4ccccc4OC)nnc32)cc1 9574028 BGSFKCUHCUPOIN-UHFFFAOYSA-N 411.487 3.178 0 40 HGAB CCOc1ccc(-c2noc(CN(Cc3ccccc3F)S(C)(=O)=O)n2)cc1 9668584 UYWXYDKPHZEWKL-UHFFFAOYSA-N 405.451 3.236 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccccc3SC)C2)cc1 9974506 XKCWJKGUYVEAIT-HNNXBMFYSA-N 420.556 3.457 0 40 HGAB CCn1nc(CC(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)c2ccccc2c1=O 12116084 RSSNBDQQQRAGDA-FQEVSTJZSA-N 401.470 3.199 0 40 HGAB O=S1(=O)c2ccccc2[C@@H](O)[C@H](Cc2c[nH]c3ccccc23)N1Cc1ccncc1 12324636 IPBXYRWZQMLCNI-JTHBVZDNSA-N 419.506 3.412 0 40 HGAB Cc1cccc(Nc2nnc(SCC(=O)NCCCN3CCCC3=O)s2)c1C 12545783 OBTBPXQKYPHEGX-UHFFFAOYSA-N 419.576 3.119 0 40 HGAB NC1=Nc2nc3cc4c(cc3n2[C@@H](c2cccc(Br)c2)N1)OCCCO4 12630162 PCTKVFPJHVUVNW-INIZCTEOSA-N 414.263 3.056 0 40 HGAB C[C@H](C(=O)N(C)Cc1cccc(F)c1)N1CCC(C(=O)Nc2ccccc2O)CC1 12764621 WESLBIICXGVVAX-MRXNPFEDSA-N 413.493 3.229 0 40 HGAB CC(C)[C@H](CNC(=O)c1ccc(NC(=O)Nc2ccccc2)cc1)N1CCOCC1 12998559 RWOCOSOWZOOJHC-NRFANRHFSA-N 410.518 3.417 0 40 HGAB COc1ccc(COC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 13021389 CRYCWEYASWPELR-UHFFFAOYSA-N 423.918 3.493 0 40 HGAB COc1ccc(OC)c(-c2ccc(N3CCN(C(=O)CC4CCCC4)CC3)nn2)c1 13659239 VNZHSSFGUSYTDQ-UHFFFAOYSA-N 410.518 3.390 0 40 HGAB CCOCCC(=O)Nc1nnc([C@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C2)s1 13942572 XBCMYGBSFXBTFX-LBPRGKRZSA-N 408.911 3.386 0 40 HGAB CN(CC(=O)OCC(=O)c1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl 15231146 DYWKHUYBIQZFLD-UHFFFAOYSA-N 416.282 3.040 0 40 HGAB Cc1ccc(NC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)c(Br)c1 15737881 HAZVDGAEZWLVLN-UHFFFAOYSA-N 403.685 3.311 0 40 HGAB COc1cc(C(=O)N2CCC[C@H]([C@@H]3C[C@H](C(F)F)n4nc(C)cc4N3)C2)ccn1 19128301 LRLQCSJZAQMTFQ-HRCADAONSA-N 405.449 3.138 0 40 HGAB Cc1ccc2[nH]c(CCc3ccc(NS(=O)(=O)c4cnn(C)c4C)cc3)nc2c1 19221556 ONIWFHAKCGLVKO-UHFFFAOYSA-N 409.515 3.499 0 40 HGAB COc1nc2cc(C)ccc2cc1CN(CCN1CCOCC1)Cc1cccnc1 19234259 QLMBLHBDLBJOIK-UHFFFAOYSA-N 406.530 3.281 0 40 HGAB Cc1nc2ccccc2n1[C@H](C)C(=O)N(CCN(C)C)Cc1ccc2c(c1)OCO2 19286636 MCMYCTGHTDXNCT-MRXNPFEDSA-N 408.502 3.225 0 40 HGAB Cc1nc2ccccc2n1C[C@H](C)C(=O)Nc1ccccc1CN1CCN(C)CC1 19286755 YHYSWUOXAFNJOJ-SFHVURJKSA-N 405.546 3.367 0 40 HGAB O=C(COC(=O)c1ccc(CN2CCCC2=O)cc1)c1ccc2c(c1)OCCCO2 19297643 JYKDVDZJJWZJRE-UHFFFAOYSA-N 409.438 3.010 0 40 HGAB CCc1nnsc1C(=O)N1CCNC(=O)[C@@H](Cc2ccc(-c3ccccc3)cc2)C1 19521877 AZJHPLRMIFNAHN-IBGZPJMESA-N 420.538 3.198 0 40 HGAB Cc1nc([C@H](Cc2c[nH]c3ccccc23)NC(=O)c2c[nH]nc2C)cc(N(C)C)n1 19582445 AMUPUBYQNNCSSY-IBGZPJMESA-N 403.490 3.078 0 40 HGAB Cc1sc(NC(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)nc1-c1ccc2c(c1)OCCO2 19654897 XSZOYJDLQHUKMH-CQSZACIVSA-N 415.515 3.475 0 40 HGAB Cc1cc(C)c2[nH]c(C)c(CC(=O)NC[C@@H](c3cccnc3)N3CCOCC3)c2c1 19715582 SQRJGHVMPWKPHR-QFIPXVFZSA-N 406.530 3.220 0 40 HGAB Cc1cccc(CSCCNS(=O)(=O)c2ccc(N3CCCC3=O)cc2)c1 20456876 GKNBQGOKKPDSAO-UHFFFAOYSA-N 404.557 3.334 0 40 HGAB CC[C@@H](NC(=O)CN(c1ccccc1Cl)S(C)(=O)=O)c1ccc(OC)cc1 22330763 SVAQRHFMMAZBJC-QGZVFWFLSA-N 410.923 3.382 0 40 HGAB CCOC(=O)c1cccc(NC(=O)c2ccc(NS(C)(=O)=O)c(Cl)c2)c1C 22520452 TYAMSBQMMXBDAL-UHFFFAOYSA-N 410.879 3.449 0 40 HGAB O=C(Nc1cccc(-c2nnnn2C2CC2)c1)c1ccc(CN2CCCC2=O)cc1 22550238 VUCUOUCTPZTWRV-UHFFFAOYSA-N 402.458 3.050 0 40 HGAB CCn1c(C)cc(O)c([C@@H](c2cccc(F)c2)N2CCN(c3ccccn3)CC2)c1=O 22697149 CDJMOYGVVOKEKJ-HSZRJFAPSA-N 422.504 3.328 0 40 HGAB COc1ccccc1C(=O)Nc1c2c(nn1CC(=O)NCc1ccccc1)CSC2 23139485 DRAVPUWJFQDMBU-UHFFFAOYSA-N 422.510 3.207 0 40 HGAB O=C(CSc1nc2ccccc2s1)NC[C@H]1CN(Cc2ccccc2)CCO1 23295874 HDOZQTBROQPCJZ-KRWDZBQOSA-N 413.568 3.406 0 40 HGAB O=c1/c(=C/C2=Cc3ccccc3OC2)sc2nc(/C=C/c3ccc(F)cc3)nn12 27023110 ZEWAMPUUVCHESE-HEAUIMFQSA-N 403.438 3.436 0 40 HGAB Cc1cc2oc(C(=O)NC[C@@H](c3cccs3)N3CCOCC3)cc(=O)c2cc1C 28289103 RPWPXULPCDFKSP-KRWDZBQOSA-N 412.511 3.275 0 40 HGAB Cc1cccc([C@H](CNC(=O)CCCc2nc3ccccc3[nH]2)N2CCOCC2)c1 31994120 DGLRZAPPXDCPCC-QFIPXVFZSA-N 406.530 3.384 0 40 HGAB O=C(NCCC1=CCCCC1)C1CCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)CC1 32101769 UIMXKXJZXAVFET-OAQYLSRUSA-N 423.557 3.285 0 40 HGAB CCCn1c(=O)[nH]c(=O)c2c(C(=O)Nc3ccc4oc(C)nc4c3)cc(C(C)C)nc21 32451785 USVMKNAUNFTPQP-UHFFFAOYSA-N 421.457 3.320 0 40 HGAB COc1cc(C(=O)OCc2cc(=O)n3cc(Cl)ccc3n2)ccc1OC(F)F 32743454 PHYNDKZBKQLSDX-UHFFFAOYSA-N 410.760 3.315 0 40 HGAB CCNc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)[C@@H]1Cc2ccccc2O1 32764768 RLGZJRPGZDXOTQ-FQEVSTJZSA-N 417.531 3.091 0 40 HGAB COc1cc2c(cc1OC)CN(S(=O)(=O)c1ccccc1OC(F)(F)F)CC2 32895473 JWTVVRVZFUAVBB-UHFFFAOYSA-N 417.405 3.349 0 40 HGAB NC(=O)[C@@H]1Cc2ccccc2CN1Cc1nc2sc(-c3ccccc3)cc2c(=O)[nH]1 35400235 KOEZELIRVBMDSE-SFHVURJKSA-N 416.506 3.064 0 40 HGAB CCc1cc(C(=O)N2CCN(CC)CC2)c2c(C)nn(-c3ccc(OC)cc3)c2n1 36621685 DGIYWWVSWJZWBE-UHFFFAOYSA-N 407.518 3.078 0 40 HGAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)c1nn(C(C)C)c(=O)c2ccccc12 36728624 OSEQOCZHBXOULO-UHFFFAOYSA-N 406.486 3.305 0 40 HGAB CCc1cccc2c(/C=C3\NC(=S)N(C)C3=O)cn(CC(=O)N3CCCC[C@H]3C)c12 39556565 HCJOGPXDOYMZLG-VUFYJBQKSA-N 424.570 3.292 0 40 HGAB CCc1cccc2c(/C=C3/C(=O)N(C)C(=S)N3C)cn(CC(=O)N3CCCCC3)c12 39556726 SWBGQIPYMXAYJY-UYRXBGFRSA-N 424.570 3.246 0 40 HGAB CN1C(=O)N(CC(=O)O[C@H](c2ccccc2)c2ccccn2)C(=O)C12CCCCC2 44613192 RKMSHAWGIJDZRS-HXUWFJFHSA-N 407.470 3.311 0 40 HGAB COc1ccc([C@@H](C)NC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)cc1 44883183 ZEKIOQYWOCRLJD-CQSZACIVSA-N 408.545 3.035 0 40 HGAB C[C@@H]1CCCC[C@@H]1OCCNC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 45956012 WQXDGGVZAMNFDM-CJNGLKHVSA-N 417.959 3.307 0 40 HGAB Cc1cccc(C)c1NC(=O)Cn1nc2c(Sc3ccccc3)nccn2c1=O 49008757 GAZRTEHVNZZDPR-UHFFFAOYSA-N 405.483 3.298 0 40 HGAB COc1ccc(OC)c(-n2cc(C(=O)O)c3c2[C@H](c2ccc(O)cc2)CC(=O)N3)c1 49543408 FQFPKNVRCAWAOP-HNNXBMFYSA-N 408.410 3.372 0 40 HGAB biogenic COC(=O)Cc1c(C)c2cc(Cl)c3c(c2oc1=O)CN(Cc1ccco1)CO3 57134974 CDTWMEQZLTYRET-UHFFFAOYSA-N 403.818 3.415 0 40 HGAB COc1cc(C)c(S(=O)(=O)Nc2ccc(N3CCN(C4CC4)CC3)cc2)c(C)c1 58355114 FBZYSBDKLVPKAN-UHFFFAOYSA-N 415.559 3.397 0 40 HGAB COc1cccc(C2=CCN(CC(=O)NC[C@H]3CCN(c4ccccc4)C3)CC2)c1 65613529 HNSKJICQOMCNDJ-HXUWFJFHSA-N 405.542 3.427 0 40 HGAB CCc1cccc(C)c1NC(=O)Cn1c(-c2cccc(F)c2)nc(C)c(CCO)c1=O 67316788 LXATVULUKKLLRO-UHFFFAOYSA-N 423.488 3.402 0 40 HGAB CC(C)CN1C(=O)COC[C@@H]1[C@H](O)c1ccc(NC(=O)CCc2ccccc2)cc1 67896639 BRAXULRIIRDKQM-ZJSXRUAMSA-N 410.514 3.175 0 40 HGAB biogenic,in-vitro Cc1cccc(NC(=O)c2nnn(CC(=O)NCc3ccccc3Cl)c2C)c1C 71327101 RVWDCZUVGKTPHA-UHFFFAOYSA-N 411.893 3.425 0 40 HGAB O=C(NCCC(=O)N1CCCc2ccccc21)[C@@H]1CCCN(Cc2ccccc2)C1 71824128 CHPPJFSZHQUBJE-JOCHJYFZSA-N 405.542 3.384 0 40 HGAB CCc1ccc(CCC(=O)N(CCN2CCCS2(=O)=O)c2cccc(F)c2)cc1 72309966 KUKOBBOKZYKTQY-UHFFFAOYSA-N 418.534 3.389 0 40 HGAB Cc1ccnn1C[C@H](C)C(=O)Nc1ccc(-c2csc(N3CCOCC3)n2)cc1 72391481 XQCWJNSSJCNXGU-HNNXBMFYSA-N 411.531 3.426 0 40 HGAB CCc1ccc2c(CN3CCN(Cc4nccn4C(F)F)CC3)cc(=O)oc2c1 78970597 KRRVMEJMLIJHMG-UHFFFAOYSA-N 402.445 3.265 0 40 HGAB CN(Cc1ccccc1C(F)(F)F)Cc1nnc2n(C)c(=O)c3ccccc3n12 84297869 PXWZYWMCLTZSOI-UHFFFAOYSA-N 401.392 3.232 0 40 HGAB Cn1cccc1C(=O)N1CCCN(c2nc(C(F)(F)F)nc3ccccc23)CC1 95948971 ZPQJMCJPNNIAQL-UHFFFAOYSA-N 403.408 3.340 0 40 HGAB CN1CCN(C(=O)C[C@@H]2CC3(CCN(Cc4ccoc4)CC3)c3ccccc32)CC1 96052925 UUIFXWNEIAITLX-OAQYLSRUSA-N 407.558 3.465 0 40 HGAB Cn1cc(CN2CCC3(CC2)C[C@H](CC(=O)NC2CCC2)c2ccccc2O3)cn1 96053383 NUBJELZSPVHNPW-IBGZPJMESA-N 408.546 3.380 0 40 HGAB COc1ccc2nc(CN3[C@@H]4CC[C@@H]3c3cnc(N5CCOCC5)nc3C4)ccc2c1 100752867 LVJOOLAQNQCXEY-WZONZLPQSA-N 417.513 3.132 0 40 HGAB COc1ccc([C@H]2C=C(C(=O)O)Nc3c(C(=O)Nc4ccccc4OC)cnn32)cc1 102820903 QPOFAPKBIGQQKM-GOSISDBHSA-N 420.425 3.136 0 40 HGAB CC[C@H](C(=O)NCCN(C)c1ccccc1)N(c1cc(C)ccc1C)S(C)(=O)=O 220551114 DUAXFCQCUAKJDB-HXUWFJFHSA-N 417.575 3.101 0 40 HGAB CCn1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCC(=O)OC)c1C 223719379 XTIKFCBTIVOSRR-WOJBJXKFSA-N 400.548 3.446 0 40 HGAB Cc1nc(N2CCOCC2)nc(C)c1NC(=O)COc1ccc(Cl)cc1Cl 224300936 GBYUWDBRIKEZGF-UHFFFAOYSA-N 411.289 3.254 0 40 HGAB COc1cc2c(cc1S(=O)(=O)NCc1ccc(OC)c(OC)c1OC)CCCC2 224616990 JLBOWPYIOZYUQX-UHFFFAOYSA-N 421.515 3.078 0 40 HGAB CCOC(=O)CN(c1cc(C(=O)OCC)ccc1C)S(=O)(=O)c1ccc(F)cc1 224923326 YOECSQSUKQVHKF-UHFFFAOYSA-N 423.462 3.069 0 40 HGAB O=C(N[C@@H](c1cccnc1)C1CCOCC1)[C@H]1CCCN1c1nc2ccccc2o1 225622407 BLPMULVBZSGVJT-TZIWHRDSSA-N 406.486 3.476 0 40 HGAB Cc1ccccc1OC[C@@H](C)NC(=S)Nc1cccc(N(C)S(C)(=O)=O)c1 225635732 OEIPKIYPJSMVAE-OAHLLOKOSA-N 407.561 3.145 0 40 HGAB COc1cc(=O)n(-c2ccccc2)cc1C(=O)NCc1ccnc(-c2cccnc2)c1 225640793 SENIISHXKWUDBF-UHFFFAOYSA-N 412.449 3.233 0 40 HGAB CN(Cc1ccccc1F)C(=O)CN(C)S(=O)(=O)c1cc(Cl)ccc1Cl 226035686 XUHZRDLBZHZMPN-UHFFFAOYSA-N 419.305 3.412 0 40 HGAB O=C(c1cccc(-n2cnnc2)c1)N1CCOC[C@@H](Cc2cccc3occc23)C1 257225560 FGSZXFCWJIBVDX-KRWDZBQOSA-N 402.454 3.345 0 40 HGAB CCCS(=O)(=O)N1CCC[C@H](c2nc3ccc(-c4cccc(F)c4)cn3n2)C1 306126320 DSMREZPDLTWWIP-KRWDZBQOSA-N 402.495 3.455 0 40 HGAB COc1ccc(-c2cnc3c(N4CCN(Cc5cccnc5)CC4)nccn23)cc1 306141204 VOGZGEHARMKYOA-UHFFFAOYSA-N 400.486 3.122 0 40 HGAB Cc1cc(S(=O)(=O)N2CCCCC2)ccc1OCC(=O)N[C@H](C)c1ccccc1 408562892 SEEIGHHBNTUGSU-GOSISDBHSA-N 416.543 3.426 0 40 HGAB COc1ccc(Cl)cc1S(=O)(=O)N[C@H](C)C(=O)Nc1ccc(F)c(Cl)c1 408617024 CAKUHXRHLGFOFZ-SECBINFHSA-N 421.277 3.447 0 40 HGAB CC1=C(C(N)=O)[C@H](c2ccccc2)NC(SCC(=O)Nc2ccc(Cl)cc2)=N1 408990857 OOGYGTOVPSEVCQ-SFHVURJKSA-N 414.918 3.472 0 40 HGAB COc1ccc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc1Cl 409202255 QVKRFEIIKIOITK-OQLLNIDSSA-N 403.797 3.019 0 40 HGAB CC1(C)CC[C@@H]2C[C@@H](NC(=O)N3CCC([C@]4(C)NC(=O)NC4=O)CC3)c3cccc1c32 553708408 GNKCBXYNEQXTON-NLWZSEAUSA-N 424.545 3.306 0 40 HGAB CC(C)NC(=O)N1C[C@@H]2CC[C@@H](CNC(=O)C3CC(F)(F)C3)N2Cc2ccccc21 1565556527 MMUFYMAHGRHJDE-ROUUACIJSA-N 420.504 3.119 0 40 HGAB CN(C)c1cccc(C(=O)N2CCC(COc3ncc(Br)cn3)CC2)c1 1775969317 KTLMDQHAJQIDQP-UHFFFAOYSA-N 419.323 3.236 0 40 HGAB O=C1N[C@H](c2c(F)cccc2Cl)[C@H](C(=O)C(F)(F)F)[C@](O)(c2ccccc2)N1 17610639 GLDVABPFDZZKSU-CKEIUWERSA-N 416.758 3.426 0 40 HGAB C[C@H](C(=O)N1CCc2ccccc2C1)N1C(=O)N[C@@](C)(c2ccccc2Cl)C1=O 2646140 QJNSWAYJJGGKEZ-PEBXRYMYSA-N 411.889 3.080 0 40 HGAB C[C@@H](NC(=O)c1csc(S(N)(=O)=O)c1)C(c1ccccc1)c1ccccc1 46579597 NGLGRCAPXJPBGX-CQSZACIVSA-N 400.525 3.346 0 40 HGAB COc1ccc(-c2noc([C@H]3CCCN(S(=O)(=O)c4ccc(F)cc4)C3)n2)cc1 1362638 JHWRJVKBPYTXCI-HNNXBMFYSA-N 417.462 3.453 0 40 HGAB O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)OCC(=O)c1ccc2c(c1)-c1ccccc1C2 102271683 WHKFZWGASKFOIV-PMACEKPBSA-N 417.461 3.159 0 40 HGAB CS(=O)(=O)N1CCc2cc(C(=O)OCc3csc(-c4ccccc4)n3)ccc21 21490061 WRESMFVRVCZHEZ-UHFFFAOYSA-N 414.508 3.489 0 40 HGAB COc1ccc2cc(/C=C/C(=O)OCC(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)ccc2c1 6851744 DIQNCTCLDCUIJR-YCRREMRBSA-N 417.421 3.213 0 40 HGAB N=C1C(c2nc(-c3ccc(Cl)cc3)cs2)=C(O)CN1[C@H]1CCS(=O)(=O)C1 102722095 APYGNJRZAQHGPD-LBPRGKRZSA-N 409.920 3.213 0 40 HGAB CCCCOc1ccc(C(=O)NCC(=O)NC[C@H](c2cccs2)N(C)C)cc1 33026548 PRWLRZUBARTIDH-GOSISDBHSA-N 403.548 3.076 0 40 HGAB CC(=O)c1ccc(N2CCN(C[C@H](O)COCC3=CC[C@@H]4C[C@@H]3C4(C)C)CC2)cc1 102664604 LQYFQQZOGBCADR-NHTMILBNSA-N 412.574 3.381 0 40 HGAB CCOc1ccc(NC(=O)c2c(F)cccc2Cl)cc1S(=O)(=O)N(C)C 18088955 WVYITHFBADPDHG-UHFFFAOYSA-N 400.859 3.380 0 40 HGAB Cc1cc(C)cc(N(CC(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)S(C)(=O)=O)c1 22329151 WVZRLFPHIDCVAY-LJQANCHMSA-N 416.543 3.488 0 40 HGAB O=C(OCCN1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)c1ccco1 25177646 DFODZGJAHCYRIT-UHFFFAOYSA-N 403.788 3.326 0 40 HGAB CCOc1ccc(S(=O)(=O)NCc2ccccc2Cn2ccnc2)cc1OCC 12520782 ODWKKNIVJRTMOP-UHFFFAOYSA-N 415.515 3.207 0 40 HGAB O=C(COC(=O)c1ccccc1N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1ccccc1 100550298 VXPZAGCEUKQWSA-SNHGZMDHSA-N 401.418 3.038 0 40 HGAB CCOC(=O)c1oc2ccccc2c1COC(=O)CCn1cnc2ccccc2c1=O 26124966 UEDUKGMYGVMDHI-UHFFFAOYSA-N 420.421 3.453 0 40 HGAB COc1ccc(CC(=O)OCC(=O)Nc2ccc(Br)c(C)c2)cc1OC 3216475 GHCXRDPMCXFPMU-UHFFFAOYSA-N 422.275 3.499 0 40 HGAB O=C(CN1CCN(C(=O)/C=C/c2c(F)cccc2Cl)CC1)Nc1ccc(F)cc1 57446780 AOUWFWNHTLYACG-CMDGGOBGSA-N 419.859 3.414 0 40 HGAB Cc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)NC2CC2)cc1S(C)(=O)=O 58014580 RJVGQTPZJOISDX-UHFFFAOYSA-N 406.891 3.196 0 40 HGAB COc1ccccc1C(=O)Nc1nnc(S(=O)(=O)Cc2cccc(C)c2)s1 27664575 UYETWMVQSLFNHR-UHFFFAOYSA-N 403.485 3.081 0 40 HGAB Cc1ccc(O[C@@H](C)C(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)cc1 10215276 FKNAPVADJCLSNO-INIZCTEOSA-N 410.470 3.368 0 40 HGAB Cc1ccc(-n2c(SCC(=O)NC[C@H]3CCCO3)nnc2-c2ccncc2)cc1 10730098 CTAXQGIRUWEIDZ-GOSISDBHSA-N 409.515 3.025 0 40 HGAB CCOc1ccc(NC(=O)C(=O)NCC(=O)Nc2cccc(Cl)c2Cl)cc1 108041323 VYXKYILDRAOKNS-UHFFFAOYSA-N 410.257 3.086 0 40 HGAB Cc1ccc([C@H](c2nnnn2C[C@@H]2CCCO2)N2CCN(C3CCCCC3)CC2)cc1 20140648 DRYWWSNSECVKDS-XZOQPEGZSA-N 424.593 3.200 0 40 HGAB CCCCCCNc1nc2c(c(=O)n(Cc3ccc(Cl)cc3)c(=O)n2C)n1C 10386057 ZNDLGQYHMPIHJB-UHFFFAOYSA-N 403.914 3.128 0 40 HGAB CSCc1ccc(C(=O)N2CCC(NS(=O)(=O)c3ccccc3)CC2)cc1 12792806 HNRGQKVRPWSVRY-UHFFFAOYSA-N 404.557 3.133 0 40 HGAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)/C=C/c2ccc(OC)cc2OC)c1 12792468 GQAUROSBZTYMEK-ACCUITESSA-N 418.515 3.386 0 40 HGAB Cc1cccc(C)c1N(CC(=O)N[C@H]1CC(C)(C)Oc2ccccc21)S(C)(=O)=O 22338563 FZCOCTQPIHETCN-SFHVURJKSA-N 416.543 3.488 0 40 HGAB COc1ccc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2c(C)cc(C)cc2C)cc1 12909373 SSOQKSPRCWYUOT-FQEVSTJZSA-N 416.543 3.090 0 40 HGAB CCOC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]23CC[C@@]2(O)C[C@H](OC(C)=O)CC[C@]12CO3 118939760 BRGAXZGYAVEDMI-RIVPYHTLSA-N 420.546 3.388 0 40 HGAB CC(C)c1ccc(CN2CCN(S(=O)(=O)c3ccc(CC(=O)O)s3)CC2)cc1 49609505 FGRITUNYMFRBST-UHFFFAOYSA-N 422.572 3.005 0 40 HGAB CCN(CC)S(=O)(=O)c1cccc(-c2nnc(S)n2-c2cccc(OC)c2)c1 6146747 MEQAFQJTZKSKEW-UHFFFAOYSA-N 418.544 3.262 0 40 HGAB O=C(c1ccc(F)cc1)[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@@H]2CCCN21 13811728 IPYORVPWOXDUSZ-MANSERQUSA-N 412.848 3.314 0 40 HGAB C[C@H](c1ccccc1)N1C[C@@H](C(=O)NCc2ccc(N3CCCC3=O)cc2)CC1=O 14168038 PYBYDQVGJLFCHJ-XLIONFOSSA-N 405.498 3.039 0 40 HGAB CCOC(=O)N1CCC(NC(=O)C[C@H](C)CC(=O)Nc2ccc(Cl)cc2)CC1 4690977 ADDKMHRGUHRVRW-CQSZACIVSA-N 409.914 3.432 0 40 HGAB COc1ccc(CCn2cnc3c(cnn3-c3ccc(Cl)cc3)c2=O)cc1OC 6661963 RNCWHZFXZVVYHA-UHFFFAOYSA-N 410.861 3.496 0 40 HGAB Cc1cc(Cl)ccc1N(CC(=O)NCc1ccccc1Cl)S(C)(=O)=O 113934443 PRGWSQRBQLVSOF-UHFFFAOYSA-N 401.315 3.384 0 40 HGAB CC(C)Oc1ccccc1NC(=O)c1cccc(N2C(=O)C(C)(C)CS2(=O)=O)c1 15858666 YORPNAIKQGIXFX-UHFFFAOYSA-N 416.499 3.429 0 40 HGAB CCOC(=O)c1c(C)oc2ncn(Cc3nc(-c4ccc(Cl)cc4)no3)c(=O)c12 7554199 OUEMFPLBOKOBMN-UHFFFAOYSA-N 414.805 3.226 0 40 HGAB CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NC2=NCCS2)c1 15910683 IKQIRULWLLEFEM-UHFFFAOYSA-N 423.947 3.388 0 40 HGAB COc1cc(/C=C/C(=O)N2CCC(C(=O)Nc3ccccc3O)CC2)cc(OC)c1 16112443 IGLMALHCRHEREQ-BQYQJAHWSA-N 410.470 3.300 0 40 HGAB Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)NC3CCCC3)Oc3ccccc32)cc1 7871962 YBNNEJIPDQYBJS-HXUWFJFHSA-N 400.500 3.010 0 40 HGAB Cc1ccc(N2C[C@@H](C(=O)Oc3cccc(N4C(=O)CCCC4=O)c3)CC2=O)c(C)c1 408654601 GFGOKHPNATZTID-KRWDZBQOSA-N 420.465 3.305 0 40 HGAB Cn1nccc1C(=O)N1CCC2(CC1)Oc1ccccc1-c1ncn(CC3CC3)c12 306142774 XJGAJHRSCCAGED-UHFFFAOYSA-N 403.486 3.218 0 40 HGAB COc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC(=O)c1nn(C)c(=O)c2ccccc12 96232737 ONSRFDASEIFLEG-IBGZPJMESA-N 402.454 3.231 0 40 HGAB CC[C@@H](C)NC(=O)c1cccc(NC(=O)C[C@@H]2SC(N3CCCCC3)=NC2=O)c1 8402081 UDMFEWPQUVNBBE-PBHICJAKSA-N 416.547 3.027 0 40 HGAB CCOc1ccc(/C=C2/SC(=O)N(CCNC(=O)CC(C)C)C2=O)cc1OC 96593051 LYPZLSNVWSHKNH-SFQUDFHCSA-N 406.504 3.293 0 40 HGAB O=C(Nc1ccc2c(c1)OCO2)c1cccc(S(=O)(=O)NCc2cccs2)c1 9666772 BNWMEQJRFHLRKP-UHFFFAOYSA-N 416.480 3.208 0 40 HGAB COc1cccc(-n2cnnc2SCc2nc(N)nc(Nc3ccc(C)cc3)n2)c1 9672718 LCTHVDSSZCAQHC-UHFFFAOYSA-N 420.502 3.387 0 40 HGAB CCN(CC)C(=O)c1cccc(NC(=O)CN(C)Cc2c(C)nc3sccn23)c1 79094759 JTNSYXWSTNWAQU-UHFFFAOYSA-N 413.547 3.257 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCCN(C(=O)CCCc3cccs3)CC2)cc1 25778862 RQBMHMRXLBHEIT-UHFFFAOYSA-N 406.573 3.302 0 40 HGAB CS(=O)(=O)c1ccc(Oc2ccc(NC(=O)[C@@H]3CCn4cncc4C3)cc2)cc1 95972832 VVFDRAWTJLKTJN-OAHLLOKOSA-N 411.483 3.280 0 40 HGAB COc1ccc(Br)cc1S(=O)(=O)NCc1ccc(-n2ccnc2)cc1 89466038 BTWGGSRRXCIODD-UHFFFAOYSA-N 422.304 3.122 0 40 HGAB Cc1cc(NC(=O)[C@H](c2ccccc2)N(C)Cc2nc3ccccc3c(=O)[nH]2)no1 27347176 YNLYSTPPDKTNBT-FQEVSTJZSA-N 403.442 3.031 0 40 HGAB CC(C)n1c2c(n3cc(-c4ccc(F)cc4)nc13)CN(C(=O)c1ccn(C)n1)CC2 306128570 HEXFXINPGNWHQN-UHFFFAOYSA-N 406.465 3.455 0 40 HGAB COc1ccc(C(=O)NC(=S)Nc2cccc(NC(=O)C(C)C)c2)cc1OC 408627557 LQBNGQLPIOYJIV-UHFFFAOYSA-N 401.488 3.425 0 40 HGAB COc1cc(OC)cc(C(=O)NCc2ccc(-c3nn4c(C)nnc4s3)cc2)c1 32642747 KKTJLUWIJNRVAT-UHFFFAOYSA-N 409.471 3.108 0 40 HGAB CC(=O)c1cccc(NC(=O)[C@@H]2CCCN(c3cc(-n4nc(C)cc4C)ncn3)C2)c1 70656057 OIKWAFCAMXQIMB-LJQANCHMSA-N 418.501 3.337 0 40 HGAB CCN(CC)c1ccc(NC(=O)Cn2cnc3nc(SC)sc3c2=O)c(C)c1 33020818 VGEWWXCHYFQRKX-UHFFFAOYSA-N 417.560 3.368 0 40 HGAB CS(=O)(=O)c1nn(-c2ccccc2)c2nc(-c3ccc(Cl)cc3)nc(O)c12 35066941 MEHCLDZQEROJOB-UHFFFAOYSA-N 400.847 3.245 0 40 HGAB CC(C)NC(=O)[C@]1(Cc2ccc(-c3cccnc3)cc2)CN(C(=O)C2CCC2)CCO1 72389183 YLVBFWWIDJJFKU-VWLOTQADSA-N 421.541 3.213 0 40 HGAB CNC(=O)c1ccc(-c2ccc(C3CCN(C(=O)[C@H]4CC45CCC5)CC3)nc2)cn1 72374137 DVGYDFFJZDKTHY-LJQANCHMSA-N 404.514 3.399 0 40 HGAB C[C@H]1CCC[C@H](C)N1C(=O)CN(c1cccc(Br)c1)S(C)(=O)=O 78440835 LJHASQBZAZXGNX-STQMWFEESA-N 403.342 3.005 0 40 HGAB C[C@@H]1Cc2cc(S(=O)(=O)N3CCCCC3)ccc2N1C(=O)COc1ccccc1 223086283 XFSRKISHIIKGST-QGZVFWFLSA-N 414.527 3.218 0 40 HGAB Cc1cccc(OCCNC(=O)CCCN(c2cccc(Cl)c2)S(C)(=O)=O)c1 224630340 VPOVZNIQTLUDKW-UHFFFAOYSA-N 424.950 3.390 0 40 HGAB O=C1[C@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C(=O)N1CN(C(=O)C(F)(F)F)c1cccc(Cl)c1 226400873 PKABERWKDXAODB-FGZZBPHYSA-N 424.806 3.246 0 40 HGAB Cc1ccc([C@H](C)NC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cc1C 44856422 MHHZBUSZOBTWCJ-LIRRHRJNSA-N 422.934 3.361 0 40 HGAB CC(C)n1cnc2nc(COc3cccc(NC(=O)c4cccs4)c3)cc(=O)n21 41076900 UTSNANLVTYITFL-UHFFFAOYSA-N 409.471 3.365 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)N(C)Cc1ccccc1 223482884 MKVIDHOTIHUKPW-UHFFFAOYSA-N 416.543 3.071 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCc1cccc2ccccc12 222856137 SEIXHKHAHAZQCT-UHFFFAOYSA-N 424.522 3.099 0 40 HGAB C[C@@H](CCc1ccccc1)NC(=O)C[C@@H](NS(C)(=O)=O)c1ccc(Cl)cc1 225952807 OWRUNBBUXROQDO-HNAYVOBHSA-N 408.951 3.458 0 40 HGAB C[C@@H]1CCCN(c2cc(N3CCCCC3)nc(NC(=S)NC[C@@H]3CCCO3)n2)C1 225907187 LKOGFPNCJAAYQB-SJORKVTESA-N 418.611 3.169 0 40 HGAB CN([C@@H](C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21)c1ccccc1)S(C)(=O)=O 223228301 SRSXGYBVAWUADZ-IEBWSBKVSA-N 402.516 3.038 0 40 HGAB COc1ccc2[nH]c(=O)c([C@H]3CC(=O)Oc4ccc5c(C)cc(=O)oc5c43)cc2c1 96220865 KLMBBDHNRHUFIE-OAHLLOKOSA-N 403.390 3.393 0 40 HGAB biogenic CCn1nc(C)c(CNC(=O)NC[C@@]2(Cc3ccc(F)cc3)CCC[C@H]2O)c1C 583417753 OILDBBFRHHLKBC-IRLDBZIGSA-N 402.514 3.232 0 40 HGAB C[C@H](NC(=O)C(=O)N[C@@H]1C(=O)N(Cc2ccccc2)c2ccccc21)c1ccccc1 98170479 AQIUIHWYHDFRQC-JTSKRJEESA-N 413.477 3.268 0 40 HGAB Cc1ccc(-c2cnc(N(C)C)nc2[C@@H]2CCCN(C(=O)Cn3cccn3)C2)cc1 257319368 VSBOUFOVCHHGON-LJQANCHMSA-N 404.518 3.121 0 40 HGAB Cc1ccc(C(=O)N2CCC[C@](COc3ccc(F)cc3)(CC(N)=O)C2)cc1F 257251713 JRWAKZXZLIMHOR-QFIPXVFZSA-N 402.441 3.450 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N(C)c3ccc(C)c(C)c3)C2)cc1 260734187 GQNKPHPVNIVZAL-SFHVURJKSA-N 416.543 3.376 0 40 HGAB COc1ccc(CCC(=O)NC[C@H]2OCCc3cn(Cc4ccccc4)nc32)cc1 585111606 XZWZFVZIRRBTSK-JOCHJYFZSA-N 405.498 3.303 0 40 HGAB COc1cc(/C=C2\NC(=S)NC2=O)ccc1OC(=O)C12CC3CC(CC(C3)C1)C2 5023611 KNVDZKUARCPDPN-APSNUPSMSA-N 412.511 3.162 0 40 HGAB COCCN(C[C@H]1CCCN2CCCC[C@H]12)C(=O)NCCc1ccc(OC)cc1 1565519476 ASLISZIYQIFXFJ-IFMALSPDSA-N 403.567 3.160 0 40 HGAB biogenic CCn1c(SCc2ccccc2)nnc1[C@@H]1CCCN(C(=O)N2CCOCC2)C1 5001407 VRWPRRUVMIJVEJ-GOSISDBHSA-N 415.563 3.222 0 40 HGAB Cc1cccc(CNC(=O)CN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)c1 13668745 FZHLALGSDBACAA-UHFFFAOYSA-N 401.315 3.384 0 40 HGAB COc1ccccc1N(CC(=O)N1CCc2ccccc21)S(=O)(=O)c1ccccc1 13675748 LCMRDBFUOMISHP-UHFFFAOYSA-N 422.506 3.480 0 40 HGAB COc1ccc(OC)c(S(=O)(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)c1 14225858 PFSOFSVVMZFJHY-UHFFFAOYSA-N 404.488 3.131 0 40 HGAB Cc1cc2n(n1)[C@@H](C(F)F)C[C@@H]([C@@H]1CCCN(C(=O)[C@@H](C)N3CCCCC3)C1)N2 19127276 CRIDRIBBLXSDEO-ZJPYXAASSA-N 409.525 3.295 0 40 HGAB O=C1NCCN(C(=O)c2cccc(F)c2)C[C@H]1Cc1ccccc1-c1ccncc1 19348575 BMXASIXMPFRJDW-HXUWFJFHSA-N 403.457 3.319 0 40 HGAB C[C@@H](C(=O)N1CC[C@H](c2nc3c(c(=O)[nH]2)CN(C2CCCC2)CC3)C1)c1ccccc1 19459047 YYJCLXCWYJGYRM-MJGOQNOKSA-N 420.557 3.190 0 40 HGAB Cc1c(C(=O)NCC(C)C)sc2nc3n(c(=O)c12)CCN(Cc1ccccc1)CC3 19565184 AXXDESZANXWULH-UHFFFAOYSA-N 424.570 3.211 0 40 HGAB CN(Cc1nc([C@@H]2CCCNC2)cc(N(C)C)n1)C(=O)CCc1cccc(Cl)c1 19710033 YOKXPQQGSDKMJV-QGZVFWFLSA-N 415.969 3.254 0 40 HGAB COc1ccccc1CCC1CCN(C(=O)Cn2cnc3sccc3c2=O)CC1 19715395 ZFRVYDGPMNEYRF-UHFFFAOYSA-N 411.527 3.338 0 40 HGAB CCn1nc(C)c(NC(=O)CN2CCC[C@H](Cc3nc4ccc(F)cc4[nH]3)C2)c1C 19715500 UAAVDCNCPFARIX-MRXNPFEDSA-N 412.513 3.428 0 40 HGAB C[C@H](C(=O)NCc1nnc2n1CCCCC2)n1c(C(F)(F)F)nc2ccccc21 19718427 FRLCVDAZBMNJND-GFCCVEGCSA-N 406.412 3.250 0 40 HGAB CCC(=O)N1CCC[C@H](c2nc(C)c3c(n2)N(CCc2ccccc2F)C(=O)C3)C1 19744477 VIPHJRMLDZINPH-KRWDZBQOSA-N 410.493 3.172 0 40 HGAB C[C@@H]1CCN(C(=O)COC(=O)c2ccc([S@@](C)=O)cc2)c2ccccc2S1 21647191 VLQZMLPUMNPVLF-ASHKIFAZSA-N 403.525 3.498 0 40 HGAB CC(=O)Nc1cccc(-n2nnnc2SCc2nnc(-c3ccc(C)cc3)o2)c1 23172493 QPKWVTMFGAEMJA-UHFFFAOYSA-N 407.459 3.271 0 40 HGAB CCOc1ccc(-n2ccnc(SCC(=O)Nc3ccccc3OC)c2=O)cc1 4853215 ZPCJYKHXXYIXRI-UHFFFAOYSA-N 411.483 3.371 0 40 HGAB CCOc1ccc(-c2cccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)c2)nn1 5204277 GOPWFAPYQIITJD-UHFFFAOYSA-N 413.455 3.114 0 40 HGAB CCn1c(C)cc(O)c([C@H](c2cccnc2)N2CCN(c3ccccc3F)CC2)c1=O 22697467 QVVQKPQTPRAGBU-QHCPKHFHSA-N 422.504 3.328 0 40 HGAB O=C(O)CCCCCCCCCCNS(=O)(=O)c1ccc2c(c1)CCC(=O)N2 12375200 NIKXHBITAFLEKS-UHFFFAOYSA-N 410.536 3.445 0 40 HGAB CCc1ccc([C@@H](C)NC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 40096647 PMOUHAHTQQUTJQ-MRXNPFEDSA-N 417.531 3.153 0 40 HGAB Nc1nccnc1C(=O)NC[C@@H](c1ccc(Cl)cc1)N1CCc2sccc2C1 40112513 DNSKRAQGEOSUNH-INIZCTEOSA-N 413.934 3.303 0 40 HGAB Cc1c(C(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)oc2c1C(=O)CC(C)(C)C2 40115056 ANKVFXIOVARFHM-UHFFFAOYSA-N 416.499 3.436 0 40 HGAB CCCOc1ccc(N2C(=O)C[C@H](NNc3ncc(Cl)cc3Cl)C2=O)cc1 100121607 LQKSBSHAIBDPLM-HNNXBMFYSA-N 409.273 3.426 0 40 HGAB O=c1ccn(-c2ncc(C(F)(F)F)cc2Cl)c(=O)n1CCOc1ccccc1 1393287 CVRNWEKIIKFYTE-UHFFFAOYSA-N 411.767 3.145 0 40 HGAB CCc1nnc(NC(=O)CSc2nc3sc4c(c3c(=O)n2C)CCCC4)s1 2074013 LCBWZNURJZJCLV-UHFFFAOYSA-N 421.573 3.019 0 40 HGAB COCCn1c(N)c(S(=O)(=O)c2cccc(Cl)c2)c2nc3ccccc3nc21 2420635 ICXPROVLLZYGDQ-UHFFFAOYSA-N 416.890 3.299 0 40 HGAB Cc1ccc(NC(=O)CN2C(=O)N[C@](C)(c3ccccc3Br)C2=O)cc1 3345498 KRTYWCQMUCAKMQ-LJQANCHMSA-N 416.275 3.163 0 40 HGAB CCC(=O)N1N=C(c2ccc(NS(C)(=O)=O)cc2)C[C@H]1c1ccccc1OC 4036247 SYHPQMMCVUCOBN-SFHVURJKSA-N 401.488 3.154 0 40 HGAB CC(C)NC(=O)CN(c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)S(C)(=O)=O 4419049 ZAINMGSLAUHWFR-UHFFFAOYSA-N 404.576 3.445 0 40 HGAB COc1ccccc1OCCSc1nnc(CC(=O)Nc2ccccc2F)n1C 4735879 UAKJYPLDAKPXAS-UHFFFAOYSA-N 416.478 3.315 0 40 HGAB C[C@H](Oc1ccccc1)c1nnc(SCC(=O)Nc2ccc3c(c2)OCO3)n1C 4816308 ALYCVWKIZZNVCJ-ZDUSSCGKSA-N 412.471 3.415 0 40 HGAB COc1ccc(NC(C)=O)cc1NC(=O)c1cccn(Cc2ccc(C)cc2)c1=O 5270248 ZDDIHRXQOWKQBA-UHFFFAOYSA-N 405.454 3.424 0 40 HGAB COc1cc2c(cc1OC)[C@H](C)N(C(=O)CCCN1C(=O)c3ccccc3C1=O)CC2 5354676 VXCPAEYPXAPKCJ-HNNXBMFYSA-N 422.481 3.226 0 40 HGAB COc1ccc(NC(=O)COc2ccc(C(=O)NCc3cccnc3)cc2OC)cc1 5689459 REZQYMFYLRFNFU-UHFFFAOYSA-N 421.453 3.046 0 40 HGAB O=C(/C=C/c1ccc2c(c1)OCO2)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 6087873 FIQXSLHBAHAFSL-CSKARUKUSA-N 414.483 3.242 0 40 HGAB Cc1ccccc1N1C(=O)C[C@@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1=O 6549469 XTHJVNSNWPWJCS-LJQANCHMSA-N 417.431 3.468 0 40 HGAB CCOc1cc([C@H]2[C@@H]3CCCC[C@]3(O)CCN2CC(=O)N2CCCCC2)ccc1O 6553813 NHZZGNAMAAEEJA-IGKWTDBASA-N 416.562 3.472 0 40 HGAB COc1ccc(N(C)S(=O)(=O)c2csc(C(=O)Nc3cccnc3)c2)cc1 6681358 KOQPOJMEFXLAMJ-UHFFFAOYSA-N 403.485 3.229 0 40 HGAB CCn1c(=S)sc2c(=O)n(CC(=O)NCCCc3ccccc3)c(C)nc21 6755242 QREDOKCNLWUKBL-UHFFFAOYSA-N 402.545 3.066 0 40 HGAB Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)c(C)n1-c1ccccc1F 6962540 XZQYCXSQELLKAZ-GZTJUZNOSA-N 404.401 3.295 0 40 HGAB O=C(OCC(=O)N1CCCC1)c1cc(-c2ccccc2)c(N2CCOCC2)s1 7015130 JNJWVMJFCRGFQY-UHFFFAOYSA-N 400.500 3.031 0 40 HGAB CCn1nnc2cc(C(=O)OCc3cc4c(cc3Br)OCO4)ccc21 7090388 BKBAHPXJBZBRKG-UHFFFAOYSA-N 404.220 3.299 0 40 HGAB COc1cc2c(cc1NC(=O)CN1C(=O)N[C@@](C)(C3CC3)C1=O)oc1ccccc12 7474966 SBJLNVVZPQWAJI-QFIPXVFZSA-N 407.426 3.254 0 40 HGAB COc1ccc(-c2cc3c(=O)n(CC(=O)Nc4c(C)cccc4C)ccn3n2)cc1 7616008 ZSUIKWJUAYJXLD-UHFFFAOYSA-N 402.454 3.427 0 40 HGAB O=C(CC[C@H]1N=C2c3ccccc3NC(=S)N2C1=O)NCc1ccc(Cl)cc1 8381986 WBWXKPMCTONNKG-MRXNPFEDSA-N 412.902 3.104 0 40 HGAB CCOc1ccccc1NC(=O)COC(=O)CCCC(=O)Nc1ccccc1OC 8417440 YRDJGSRJEHKPLC-UHFFFAOYSA-N 414.458 3.385 0 40 HGAB C[C@H](NC(=O)COc1ccccc1Cc1ccccc1)c1cccc(S(N)(=O)=O)c1 8750176 HCPFFYUYDIWDCB-KRWDZBQOSA-N 424.522 3.181 0 40 HGAB COc1ccc(C)cc1NC(=O)COC(=O)C(O)(c1ccccc1)c1ccccc1 9180748 VRKQORIYXLMVJL-UHFFFAOYSA-N 405.450 3.421 0 40 HGAB Cc1ccc(NC(=O)c2ccc(NC3=N[C@@H]4CS(=O)(=O)C[C@H]4S3)cc2)cc1F 9529884 MVEIJHVMGOZYHA-IAGOWNOFSA-N 419.503 3.067 0 40 HGAB CCC(=O)N1CCc2cc([C@@H](O)CN3CCC[C@@](O)(c4ccccc4OC)C3)ccc21 12181132 BYBQVVZADSKVRJ-DHLKQENFSA-N 424.541 3.011 0 40 HGAB CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCCN3C(=O)c3ccc(=O)n(C)c3)cc2N1 12181369 VQDBBVYCQRZOOD-FVQBIDKESA-N 423.439 3.257 0 40 HGAB CC(=O)NCCn1nc([C@H]2CCCN(Cc3cccc(F)c3F)C2)c2cccnc21 12219523 QSRXYMXXLOPWQK-KRWDZBQOSA-N 413.472 3.225 0 40 HGAB COc1ccc(OC)c(N2C[C@@H](c3nc(-c4ccc5c(c4)OCO5)no3)CC2=O)c1 12416031 ROMSJCHELHQIDJ-ZDUSSCGKSA-N 409.398 3.003 0 40 HGAB COC(=O)c1ccccc1SCc1c(OC)c(OC)c(OC)c2c1C(=O)OC2 12418065 IKYNGNXORONYOJ-UHFFFAOYSA-N 404.440 3.462 0 40 HGAB biogenic,in-vitro Cc1cc(N2CCCC2)ccc1NC(=O)[C@@H](C)NS(=O)(=O)c1ccccc1F 12551103 WNSIDAINQCLBFT-OAHLLOKOSA-N 405.495 3.040 0 40 HGAB COc1cc(Br)c(CN(C)S(=O)(=O)c2ccc(F)cc2)cc1OC 12853301 SLKQMQDGCCDUIS-UHFFFAOYSA-N 418.284 3.426 0 40 HGAB COc1ccc(CCNC(=O)[C@@H](C)[S@@](=O)CCOc2cc(C)ccc2C)cc1 12857842 DGQAHHCLPHSYAO-KWMCUTETSA-N 403.544 3.187 0 40 HGAB CC(C)Oc1ccc(C(=O)N(C)CC(=O)N2c3ccccc3NC(=O)C[C@H]2C)cc1 12882591 SBDSEOYWTYMKDG-MRXNPFEDSA-N 409.486 3.310 0 40 HGAB O=C(Nc1ccccc1)[C@@H]1[C@@H]2C(=O)N(CCc3c[nH]c4ccccc34)C[C@]23C=C[C@H]1O3 12893725 YEVPHJIBDVTKJC-WTEVXDJOSA-N 413.477 3.131 0 40 HGAB COC(=O)[C@@H]1[C@H](c2ccc(Br)cc2)N1S(=O)(=O)c1ccc(C)cc1 13410674 VRNANQYWHOYGEU-NRAVZPKASA-N 410.289 3.045 0 40 HGAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(N(CC)S(C)(=O)=O)cc1 13682142 CKMVSNNLKGCMGU-OAHLLOKOSA-N 417.531 3.253 0 40 HGAB CC[C@H](C(=O)Nc1ccc(NC(C)=O)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O 13714694 ASJPIRNYFZPSRR-GOSISDBHSA-N 423.922 3.482 0 40 HGAB C[C@]12CCC(=O)N1[C@H](C(=O)Nc1nnc(SCc3ccc(F)cc3)s1)CS2 15940781 HLVGEXCXFRWNFC-SJCJKPOMSA-N 424.548 3.362 0 40 HGAB Cc1nn(-c2nc(C)c(C)c(=O)[nH]2)c(C)c1CCC(=O)Nc1ccc(F)c(F)c1F 16981240 RGKDRFRSQKGDDG-UHFFFAOYSA-N 419.407 3.178 0 40 HGAB CCC12CN3CC(CC)(CN(C1)C31C(=O)N(Cc3ccccc3)c3ccccc31)C2=O 19323144 NOFRVEKTEKLFCN-UHFFFAOYSA-N 415.537 3.393 0 40 HGAB biogenic C[C@H](Cn1cc(Cl)cn1)C(=O)N1CCO[C@H](c2cc3cc(F)ccc3cn2)C1 19457356 FUTNKKILFOBSMM-YJYMSZOUSA-N 402.857 3.460 0 40 HGAB CCCc1cc(C(=O)N2CCC(c3n[nH]cc3C(=O)N3CCCCCC3)CC2)no1 19525287 MODBHMANHMZWTE-UHFFFAOYSA-N 413.522 3.386 0 40 HGAB COc1ccc(CN2CCO[C@@](Cc3cccc(-c4cccnc4)c3)(C(N)=O)C2)cc1 19555425 GXRONBSEDFFCPW-RUZDIDTESA-N 417.509 3.056 0 40 HGAB COc1cccc(-c2cnc(N(C)C)nc2[C@@H]2CCCN2C(=O)c2cnc(C)cn2)c1 19689403 JYBAYBMZQNABGS-FQEVSTJZSA-N 418.501 3.294 0 40 HGAB Cn1nc(C(=O)N2CCC[C@H](c3ccc(Cc4c(F)cccc4F)cn3)C2)ccc1=O 19690287 AWDCSQPIPZWKDN-INIZCTEOSA-N 424.451 3.064 0 40 HGAB Cc1ncc(C(=O)N2CCC(c3ccc(C(=O)NC4CCCC4)cn3)CC2)c(C)n1 19705833 DWQKANNRGJKWFP-UHFFFAOYSA-N 407.518 3.181 0 40 HGAB COc1ccc(C(=O)Nc2cc(F)ccc2F)cc1S(=O)(=O)N1CCCCC1 20024984 MMZWOEALGFZABR-UHFFFAOYSA-N 410.442 3.400 0 40 HGAB CN(C)S(=O)(=O)N(CC(=O)Nc1cccc2ccccc12)c1ccccc1F 20489038 RLYGOLJYEDXSSC-UHFFFAOYSA-N 401.463 3.230 0 40 HGAB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1 21964620 KHBZEBGGFCDZIW-LJQANCHMSA-N 406.461 3.082 0 40 HGAB CC1CCN(c2nc3c(c(=O)[nH]2)[C@@H](C(=O)Nc2ccc(C(C)C)cc2)CC(=O)N3)CC1 22610065 CLGYGLYJSWWGJF-KRWDZBQOSA-N 423.517 3.194 0 40 HGAB COc1ccc([C@H](NC(=O)c2ccc3c(c2)NC(=O)CCS3)c2nccn2C)cc1 24025744 DBRHCONGGSRRTR-FQEVSTJZSA-N 422.510 3.382 0 40 HGAB O=c1c2ccccc2nc(CN2CCOCC2)n1CCCOc1ccc(Cl)cc1 24601256 SJVLGHZQIBBIHW-UHFFFAOYSA-N 413.905 3.351 0 40 HGAB COc1ccc([C@H]2CCCN2C(=O)CCn2cnc3sccc3c2=O)cc1OC 25618294 JGXPVSJYYVHJLD-MRXNPFEDSA-N 413.499 3.229 0 40 HGAB COc1ccc(-c2nnc(SCC(=O)NCc3ccc(C)cc3)n2C)cc1OC 32611888 RBWPSROOFZQRSM-UHFFFAOYSA-N 412.515 3.216 0 40 HGAB C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)NCc1ccccc1Cn1cccn1 32862363 SVVZNOGWBVDDHO-GOSISDBHSA-N 415.501 3.415 0 40 HGAB Cc1cccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccccc3)cc2)c1 33713331 VGZMTZMDGQUPMB-UHFFFAOYSA-N 410.495 3.491 0 40 HGAB CCN1C(=O)/C(=C/c2cn(CC(=O)N3CCCC[C@H]3C)c3ccccc23)NC1=S 39556443 NIIXTZLDIPYDIQ-PWDRBQJJSA-N 410.543 3.120 0 40 HGAB Cc1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc4c(c3)CCCC4)C2)n1 40149812 WIBQBTGOCOFIME-LJQANCHMSA-N 413.543 3.308 0 40 HGAB CN1CCN(c2cc(CNC(=O)CCc3cccc(Cl)c3Cl)ccn2)CC1 48325842 XMQJHBXVYPOHKX-UHFFFAOYSA-N 407.345 3.389 0 40 HGAB Cc1c(C(=O)N(C)C)sc2[nH]c(=O)c(C(=O)Nc3ccc(F)c(Cl)c3)c(O)c12 49008048 JYVYHXWVHUVCMX-UHFFFAOYSA-N 423.853 3.350 0 40 HGAB COc1cc(OC)cc(C(=O)N2CCC3(CC2)NC(=O)c2cccc(Cl)c2N3)c1 49410075 ILMFQUWGFIDCCL-UHFFFAOYSA-N 415.877 3.145 0 40 HGAB COc1cc(OC)c2[nH]c(=O)c(CCNC(=O)Cc3ccc(Cl)cc3)cc2c1 49597350 CFQLMGJRPUUXMW-UHFFFAOYSA-N 400.862 3.100 0 40 HGAB CCCCCn1c(=O)c2ccccc2n(CC(=O)Nc2cccc(C(C)=O)c2)c1=O 51357734 JDMOGQLAQOZBFC-UHFFFAOYSA-N 407.470 3.195 0 40 HGAB CN(CC(=O)Nc1sc2c(c1C(N)=O)CCC2)Cc1nc2ccccc2s1 57350849 DFXGFHLVZLLSJW-UHFFFAOYSA-N 400.529 3.016 0 40 HGAB COc1ccc(CCNC(=O)N[C@@H](CN(C)C2CCN(C)CC2)c2ccccc2)cc1 58158653 XLFFATITFGDWCF-DEOSSOPVSA-N 424.589 3.304 0 40 HGAB CCOC(=O)[C@H](c1ccc(F)c(F)c1)N(C)C(=O)c1cncc(Br)c1 58327396 SDRXBMZECZEQGX-HNNXBMFYSA-N 413.218 3.499 0 40 HGAB CCOc1ccc(CC(=O)OCC(=O)NCc2ccccc2Br)cc1 72333717 RUOURBZSELSFLY-UHFFFAOYSA-N 406.276 3.250 0 40 HGAB COc1ccc2c(c1)OC1(CCN(C(=O)Cc3cccc(Cl)c3)CC1)CNC2=O 72393327 BIPUFDYYWQXVET-UHFFFAOYSA-N 414.889 3.075 0 40 HGAB O=C(NCCN1CCC(c2cccs2)CC1)C(=O)Nc1ccc(F)c(Cl)c1 77104299 HBXMHEQBFIOYPL-UHFFFAOYSA-N 409.914 3.475 0 40 HGAB CCN(CC)C(=O)c1ccc(NC(=O)c2c(F)ccc(S(C)(=O)=O)c2F)cc1 79072003 MXIGCVGHUHNWAY-UHFFFAOYSA-N 410.442 3.103 0 40 HGAB Cc1cc(=O)oc2c3c(cc(OCC(=O)NCCc4ccccn4)c12)OC(C)(C)CC3 79188475 PTDUNUJGPOIVEX-UHFFFAOYSA-N 422.481 3.338 0 40 HGAB biogenic Cc1ccccc1CN1CCN(C(=O)c2ccc(S[C@H]3CCOC3=O)cc2)CC1 84243922 ZZDQKCUOPFEDEA-NRFANRHFSA-N 410.539 3.361 0 40 HGAB O=C(Nc1ccccc1O)[C@@H]1CC(=O)N(c2n[nH]c3cc(Br)ccc23)C1 95473057 IIWBIVOWECJHEK-SNVBAGLBSA-N 415.247 3.023 0 40 HGAB COCc1cc(=O)c(O)c([C@H](CC(=O)OC)c2ccc(Br)s2)o1 96115934 SMSXHSZQSRKHJG-SECBINFHSA-N 403.250 3.011 0 40 HGAB biogenic COC(=O)c1ccc(S(=O)(=O)Nc2ccccc2Cc2nc(C3CC3)no2)cc1 96119617 JAZOWTWIHIXWOA-UHFFFAOYSA-N 413.455 3.125 0 40 HGAB Cc1cccc(OC[C@@]2(CNCc3cccc(C(F)(F)F)c3)C[C@H](O)[C@H](O)C2)n1 107283793 RHTFUBJCCPINDJ-OPVJXMOQSA-N 410.436 3.079 0 40 HGAB biogenic,in-vitro Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)NCc1cccc(OC(C)C)c1 113942278 BJOSALSFHQKQIZ-UHFFFAOYSA-N 416.543 3.497 0 40 HGAB CCc1ccc(N([C@H](C)C(=O)NCCSCc2ccccc2)S(C)(=O)=O)cc1 220267144 GZTRTOORDITLBG-QGZVFWFLSA-N 420.600 3.453 0 40 HGAB Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)N[C@H](C)c2ccccc2)s1 223349636 FSVKPMLQFBESSG-CYBMUJFWSA-N 402.501 3.138 0 40 HGAB COC(=O)c1ccc(N2CCCCC2)c(S(=O)(=O)Nc2ccc(OC)cc2)c1 223419672 RCSFOYGJPJCNSF-UHFFFAOYSA-N 404.488 3.273 0 40 HGAB COCc1cccc(NC(=O)CCCN(c2ccc(F)cc2F)S(C)(=O)=O)c1 224812907 XZMMGHRRBLOABE-UHFFFAOYSA-N 412.458 3.296 0 40 HGAB CNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CSCc1ccc(OC)cc1 225214970 PFRCZOQDBCAMEP-KRWDZBQOSA-N 400.544 3.400 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCCc3ccc(F)cc3)C2)cc1 225524604 HCVLEENRRPQQTF-LJQANCHMSA-N 418.534 3.284 0 40 HGAB COc1ccc(Cl)cc1N(CC(=O)NC(C)(C)Cc1ccccc1)S(C)(=O)=O 225825883 YTWLGCQXGKNKFK-UHFFFAOYSA-N 424.950 3.252 0 40 HGAB C[C@H](CCC(=O)O)[C@@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3C[C@H](O)[C@]12C 245239737 BHQCQFFYRZLCQQ-AJOSQDFYSA-N 408.579 3.449 0 40 HGAB COc1ccc(C)cc1S(=O)(=O)N[C@H](C)C(=O)Nc1ccc(F)c(Cl)c1 408561222 RKZCHRNVWQGOAY-LLVKDONJSA-N 400.859 3.102 0 40 HGAB CCOC(=O)Nc1cc(S(=O)(=O)Nc2ccccc2C(=O)OC)ccc1OCC 408586283 NCLSASRQOJSZEI-UHFFFAOYSA-N 422.459 3.241 0 40 HGAB COc1ccc(C(=O)[C@@H](C)Sc2nnc(N(C(C)=O)C3CC3)s2)c(OC)c1 518130333 RQBHEUQRROWKEJ-SNVBAGLBSA-N 407.517 3.434 0 40 HGAB COc1ccc(CCS(=O)(=O)NC[C@@H](c2ccsc2)n2nc(C)cc2C)cc1 575613346 GAWDFBWGSOAMOD-FQEVSTJZSA-N 419.572 3.322 0 40 HGAB CCN1C[C@H](C(=O)N2CCC(c3cccc(Nc4ncc(C)s4)n3)CC2)CC1=O 585262715 WNLNFMWKFYOTNM-MRXNPFEDSA-N 413.547 3.165 0 40 HGAB COc1cc([C@H]2C3=C(CN(C(C)=O)C3=O)Nc3cccc4c3c2cn4C)ccc1O 604404214 LMUIBAVGVQZYPE-HXUWFJFHSA-N 403.438 3.093 0 40 HGAB biogenic O=C(N[C@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1)c1ccc(O)cc1O 1142156934 PZPNNNKFPMYQBN-HNNXBMFYSA-N 404.422 3.425 0 40 HGAB CN1CCN(C(=O)Cc2ccc(F)cc2)[C@H](Cc2ccc(-c3ccncc3)cc2)C1=O 1848351801 JFRVLPKVUJEHJD-HSZRJFAPSA-N 417.484 3.342 0 40 HGAB C[C@@H]1CN(c2ccc(NC(=O)CCn3c(=O)oc4ccccc43)cc2F)C[C@@H](C)O1 46069538 ATNPPPXNXJMKFP-HUUCEWRRSA-N 413.449 3.376 0 40 HGAB COC[C@H](C)n1c(SCc2cc(=O)n3cc(C)ccc3n2)nc2ccccc2c1=O 2625394 FFEGRDNVVBMFLV-HNNXBMFYSA-N 422.510 3.213 0 40 HGAB CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)Nc1nnc(C)s1 906540 UHOSMMOYQCHCGC-UHFFFAOYSA-N 404.521 3.076 0 40 HGAB COc1ccc2cc([C@@H](c3nnnn3C3CCCCC3)N3CCCC3)c(=O)[nH]c2c1 1224839 PKVWVIZFJCEAPJ-FQEVSTJZSA-N 408.506 3.214 0 40 HGAB CCOC(=O)c1[nH]c(Cc2c(C)[nH]c(C)c2C(=O)OCC)c(C(=O)OCC)c1C 1665120 BVDPETJCGVZTRL-UHFFFAOYSA-N 404.463 3.389 0 40 HGAB COCCNC(=S)N(Cc1cc2cc(C)ccc2n2nnnc12)C1CCCCC1 4910906 HFKWMAWJGFIHDK-UHFFFAOYSA-N 412.563 3.242 0 40 HGAB CCS(=O)(=O)N1CCC(NC(=O)/C=C/c2ccc(-c3ccc(F)cc3)s2)CC1 32907997 DCZPNVRDAOZKGM-CSKARUKUSA-N 422.547 3.498 0 40 HGAB O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O)Nc1ccc(Oc2ccccc2)cc1 100283421 BHLDCODYWYEGSQ-HUCDYXQFSA-N 414.461 3.471 0 40 HGAB COc1ccccc1NC(=O)CN(C)CC(=O)Nc1ccc(OC(F)(F)F)cc1 8238291 NCVORTORPDHNEI-UHFFFAOYSA-N 411.380 3.103 0 40 HGAB CCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccccc2C(=O)OCC)C1=O 8945856 CBAOGRLXMNEUAT-QHCPKHFHSA-N 423.469 3.049 0 40 HGAB O=C(CCC(=O)c1ccc(Cl)cc1)Nc1ccc(N2CCCS2(=O)=O)cc1 12171416 QPFHDHOFGSSKED-UHFFFAOYSA-N 406.891 3.482 0 40 HGAB Cc1cc(NC(=O)CN(C)C(=O)c2nc(-c3ccccc3)n3c2CCCCC3)no1 47429596 ROTCWXJSHOIKKW-UHFFFAOYSA-N 407.474 3.284 0 40 HGAB COc1ccc2cc([C@@]3(C)NC(=O)N(Cc4nnc(-c5ccco5)o4)C3=O)ccc2c1 9516118 KEWILZYUBFEUDO-JOCHJYFZSA-N 418.409 3.459 0 40 HGAB C[C@@H]1Oc2ccc(NC(=O)CCC(=O)c3ccc4c(c3)OCCCO4)cc2NC1=O 12568978 PEFODBIGBRFMNQ-ZDUSSCGKSA-N 410.426 3.169 0 40 HGAB O=C(NC[C@@H]1COc2ccccc2O1)[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 24858910 ORSPWSVKNBGZBH-HZNYXSMMSA-N 424.541 3.150 0 40 HGAB O=C(NCCCc1ccccc1)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 23683971 ISVPZQUULTXDRB-SFHVURJKSA-N 420.962 3.490 0 40 HGAB O=C(O)[C@H](Cc1ccc(Cl)cc1)NS(=O)(=O)c1ccc(Br)cc1 3201309 ZDPOBRPTAWHTMQ-AWEZNQCLSA-N 418.696 3.077 0 40 HGAB O=C(/C=C/c1sc2ccccc2c1Cl)N1CCN(CC(=O)N2CCCC2)CC1 35349076 XUBZQAYSRZYSQJ-BQYQJAHWSA-N 417.962 3.335 0 40 HGAB CC[C@H]1CCCCN1C(=O)Cn1c(=O)n(-c2ccccc2C)c(=O)c2sccc21 57489669 JYGYEHJTEJDFMC-INIZCTEOSA-N 411.527 3.313 0 40 HGAB COc1ccc(NC(=O)c2csc(-c3cccs3)n2)cc1S(=O)(=O)N(C)C 12688577 CNOSRXDTVAEVMN-UHFFFAOYSA-N 423.541 3.383 0 40 HGAB CC1CCN(Cc2cccc(CNC(=O)c3cccc(N4CCNC4=O)c3)c2)CC1 58178134 OSKXFJCFTYVNIF-UHFFFAOYSA-N 406.530 3.378 0 40 HGAB N[C@@H](C(=O)NC[C@H]1CC[C@H](c2ccnc(Nc3cnccn3)n2)CC1)c1ccccc1 100708848 UYJWXRUVRXCYAF-LLGFUMIMSA-N 417.517 3.100 0 40 HGAB CNS(=O)(=O)c1ccc(C(=O)Nc2cccc(C(=O)Nc3ccccc3)c2C)cc1 58172131 BDPWBYDAFODGID-UHFFFAOYSA-N 423.494 3.408 0 40 HGAB COc1ccc(CNC(=O)[C@@H](C)OC(=O)c2cc(C)nc3c2cnn3C(C)C)cc1 10206592 OZIDKBSJTARNAX-OAHLLOKOSA-N 410.474 3.191 0 40 HGAB C[C@@H]1CN(C(=O)c2cccc(S(=O)(=O)Nc3ccc(Cl)cc3)c2)C[C@@H](C)O1 3313830 IWYQBBQYUDZNLU-ZIAGYGMSSA-N 408.907 3.390 0 40 HGAB CCOc1cccc(N(CC(=O)N[C@@H](CC)c2ccc(OC)cc2)S(C)(=O)=O)c1 22398260 NHNWWFDYRAWXCT-FQEVSTJZSA-N 420.531 3.127 0 40 HGAB COc1ccc([C@@H]2CCCN2C(=O)CCNS(=O)(=O)c2ccc(C)cc2)cc1 28305729 DJRIYPJYMUGERF-FQEVSTJZSA-N 402.516 3.036 0 40 HGAB O=C(NC1CCCCC1)C1CCN(CCCS(=O)(=O)c2ccc(F)cc2)CC1 58407636 WOKKHCFCCFKOPA-UHFFFAOYSA-N 410.555 3.150 0 40 HGAB CCN1CCN([C@H](C(=O)O)c2cn(Cc3ccccc3)c3cc(C(=O)O)ccc23)CC1 36360537 VQTACHHYRQJNRT-QFIPXVFZSA-N 421.497 3.151 0 40 HGAB CCCCNC(=O)c1c(N)n(-c2cccc(C(=O)O)c2)c2nc3ccccc3nc12 2355167 GRWAXPDJLOKYIK-UHFFFAOYSA-N 403.442 3.384 0 40 HGAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 48302993 JDJOAONXVNYGPH-CYBMUJFWSA-N 422.478 3.076 0 40 HGAB CNC(=O)CN1c2ccccc2C(=O)N(C)[C@H]1c1c[nH]nc1-c1ccc(Cl)cc1 28924602 MXGYUPKCRMIVOT-HXUWFJFHSA-N 409.877 3.067 0 40 HGAB C/C=C/c1ccc(OC[C@H](O)CN2C(=O)N[C@](C)(C3CCCCC3)C2=O)c(OC)c1 12853475 BEBYHBBRXFZBAL-DHBNKGDUSA-N 416.518 3.359 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCN(Cc3cc(-c4ccccc4)no3)CC2)c(C)c1 12860036 FFKQRTDLYYWWMZ-UHFFFAOYSA-N 411.527 3.465 0 40 HGAB O=C(OCC(=O)N1CCN(c2ccccc2F)CC1)c1ccc(Br)cc1 18170964 YUNKSXJJXWFKPU-UHFFFAOYSA-N 421.266 3.094 0 40 HGAB CCOc1ccccc1-n1nnnc1SCC(=O)NCc1ccccc1Cl 3497067 OYQFLQWTWJNYKU-UHFFFAOYSA-N 403.895 3.123 0 40 HGAB CCOc1ccc(C(=O)OCC(=O)Nc2ccc3c(c2)OCCO3)cc1OCC 3441693 HIIQYWPZUVZWDL-UHFFFAOYSA-N 401.415 3.051 0 40 HGAB C[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NCc1ccc(Cl)cc1 8238962 AFLMWYKTGGFXTJ-AWEZNQCLSA-N 402.903 3.476 0 40 HGAB O=C(CCC(=O)OCC(=O)Nc1ccc(Br)cc1)Nc1ccc(F)cc1 408650482 FRQKEKWBPZXIND-UHFFFAOYSA-N 423.238 3.489 0 40 HGAB O=C(NCCCC(=O)N1CCN(Cc2ccccc2)CC1)c1cc2ccccc2[nH]1 13683357 AOSLZJUJFVTGBS-UHFFFAOYSA-N 404.514 3.022 0 40 HGAB CN(Cc1ccccc1)C(=O)c1ccccc1C(=O)OCC(=O)NCc1ccco1 6079262 YEUOTGRBXXUAPG-UHFFFAOYSA-N 406.438 3.025 0 40 HGAB Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)Nc3cccnc3)Oc3cc(C)ccc32)cc1 64986036 NFQPSDNTYSXPCP-OAQYLSRUSA-N 423.494 3.293 0 40 HGAB Cc1c(C(=O)N(C)CC(=O)Nc2ccc(N3CCOCC3)cc2)oc2ccccc12 5199747 IDBWPKGFXCVJQA-UHFFFAOYSA-N 407.470 3.289 0 40 HGAB O=C(CN1C(=O)NC2(CCCCC2)C1=O)Nc1ccc(OCc2ccccc2)cc1 5292204 VEQYASOLVRPHLG-UHFFFAOYSA-N 407.470 3.459 0 40 HGAB COc1ccc(C)cc1NS(=O)(=O)c1ccc(O[C@@H](C)C(=O)NCC(C)C)cc1 408610065 UUIPMYACHFQQHL-INIZCTEOSA-N 420.531 3.344 0 40 HGAB CCN1C(=O)[C@](O)(CC(=O)c2ccccc2OC)c2cc(Br)ccc21 4555031 CYOZRWFKHMNLDB-IBGZPJMESA-N 404.260 3.285 0 40 HGAB CNC(=O)NC(=O)[C@@H](Sc1nnc(C2CC2)n1Cc1ccccc1)c1ccccc1 6532141 JDGJJOTXAQNJRC-SFHVURJKSA-N 421.526 3.493 0 40 HGAB COC(=O)C[C@H](NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)O)c1ccc(Cl)c(Cl)c1 4674969 LXJVMBVOJTVUMM-XUJVJEKNSA-N 400.258 3.381 0 40 HGAB Cc1cccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)c1C 4690964 ZDMXQCVVYUUAJK-HNNXBMFYSA-N 400.862 3.492 0 40 HGAB Cc1ccccc1-c1nnc(S[C@H](C(=O)N2CCOCC2)c2ccccc2)n1C 5505593 RJXIAUZPJABLPH-IBGZPJMESA-N 408.527 3.483 0 40 HGAB CCOC(=O)c1cc(NC(=O)COc2cc(C)cc(C)c2)ccc1N1CCOCC1 4711534 FURWYIRVEBBCGP-UHFFFAOYSA-N 412.486 3.334 0 40 HGAB COc1ccc(CNC(=O)CCc2c(C)c3ccc(O)c(C)c3oc2=O)cc1OC 4743392 PBEUQFRYALNTGW-UHFFFAOYSA-N 411.454 3.382 0 40 HGAB biogenic Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)NC[C@H]3CCCO3)ccc2C)c1 408542934 BITYQDWOLJNBIE-LJQANCHMSA-N 402.516 3.321 0 40 HGAB COc1ccccc1C(=O)C[C@@]1(O)C(=O)N(CN2CCCCCC2)c2ccccc21 8569929 XDUZUOPSVLWNSU-DEOSSOPVSA-N 408.498 3.336 0 40 HGAB CCc1nnc2n1N[C@@H](c1ccc(F)cc1)[C@H](C(=O)Nc1cccc(OC)c1)S2 6812117 GCKOGNXJWZKEHJ-ZWKOTPCHSA-N 413.478 3.386 0 40 HGAB COc1cc(COC(=O)CCN2C(=O)c3ccccc3C2=O)ccc1OC(F)F 7387028 KRLSKZOKYYUFPB-UHFFFAOYSA-N 405.353 3.026 0 40 HGAB CCOC(=O)c1oc2ccccc2c1COC(=O)CNC(=O)c1ccccc1OC 7439488 IDFUMZHUBLUOAT-UHFFFAOYSA-N 411.410 3.091 0 40 HGAB O=C(Oc1ccccc1)c1nc(S(=O)(=O)Cc2ccccc2F)ncc1Cl 15859861 LWAJPCYRXAZVIX-UHFFFAOYSA-N 406.822 3.462 0 40 HGAB COc1ccc(C(=O)O[C@@H](C)C(=O)Nc2cccc(C(C)=O)c2)c(OC)c1OC 7511912 IDKMDFTZIDUISY-ZDUSSCGKSA-N 401.415 3.099 0 40 HGAB Cc1ccc(-c2cc(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)n[nH]2)c(O)c1C 15952784 VJCIDUAEEUGMTO-UHFFFAOYSA-N 417.469 3.449 0 40 HGAB CCCCOc1ccc(C(=O)N2CCNC(=O)[C@@H]2CC(=O)OC2CCCCC2)cc1 7610626 DTUFBXGTTYBXSJ-FQEVSTJZSA-N 416.518 3.072 0 40 HGAB O=C(Cn1nnc2ccccc21)N(Cc1cccs1)c1ccc2c(c1)OCCO2 7975829 CDSZFYLFIJTDTP-UHFFFAOYSA-N 406.467 3.497 0 40 HGAB COc1ccc(/C=C/C(=O)N[C@H](C)C(=O)OCc2cn3cc(Cl)ccc3n2)cc1 7942628 JQESNRJBLJPYSB-AZWQULSGSA-N 413.861 3.258 0 40 HGAB COC(=O)c1cc(NC(=O)CCCN(c2ccccc2)S(C)(=O)=O)ccc1Cl 408695238 OZGNIRZHXIJLJW-UHFFFAOYSA-N 424.906 3.312 0 40 HGAB O=C(CN1CCC[C@@H]1c1ccc2c(c1)OCCO2)Nc1ccccc1C(=O)NC1CC1 9575976 OWPNPVTXBYZOCK-HXUWFJFHSA-N 421.497 3.126 0 40 HGAB Cc1cccc(OC[C@H](O)CN(C(=O)NCc2ccc3c(c2)OCO3)C(C)C)c1 72305393 VBDVOWRXNDRJTA-GOSISDBHSA-N 400.475 3.084 0 40 HGAB Cc1n[nH]c(C)c1[C@@H]1COCCN1c1cc(C(F)(F)F)nc(-c2ccncc2)n1 95451680 QNGGHFNWSGOLPA-AWEZNQCLSA-N 404.396 3.475 0 40 HGAB O=C(O)COc1ccc(Br)cc1/C=C1/NC(=O)N(c2ccccc2)C1=O 409013907 OKOJHDIQQZUAGD-NTEUORMPSA-N 417.215 3.010 0 40 HGAB COc1ccccc1NC(=O)CCc1nc(-c2cc3cc(C)ccc3[nH]c2=O)no1 35373465 KFRAITPXSFXCTQ-UHFFFAOYSA-N 404.426 3.466 0 40 HGAB C=CCn1cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)c2ccccc21 33827195 DJWXPWKOORCNKM-BOPFTXTBSA-N 405.410 3.300 0 40 HGAB COc1cc(N2C[C@@H](C(=O)Nc3ccc(F)c(F)c3F)CC2=O)cc(OC)c1OC 32796406 WAAHCGPFPGBCOQ-JTQLQIEISA-N 424.375 3.121 0 40 HGAB C[C@@]12C[C@@H](c3ccccc3O1)[C@@H](C(N)=O)C(=O)N2CCCn1ccc2ccccc21 524729802 JRKBDUNIJWWTHE-XZOYJPPVSA-N 403.482 3.258 0 40 HGAB biogenic O=C(NCCSc1ccc(Cl)cc1)c1c(-n2cnnn2)sc2c1CCC2 524733900 AQXXMMMVNZISCZ-UHFFFAOYSA-N 405.936 3.388 0 40 HGAB CC(=O)c1cccc(N2C(SCc3cccc(F)c3)=N[C@H]3CS(=O)(=O)C[C@H]32)c1 32639881 ZRHFSMUKCWAJRR-RBUKOAKNSA-N 418.515 3.303 0 40 HGAB O=C(COc1ccc2c(c1)oc(=O)c1ccccc12)N[C@@H](C(=O)O)c1ccccc1 6344641 UGRBVRAEKIZNLZ-OAQYLSRUSA-N 403.390 3.267 0 40 HGAB biogenic Cc1cccc(CSCCNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c1 219974823 GREQLOLTXXWSQT-UHFFFAOYSA-N 418.584 3.443 0 40 HGAB COc1ccc([C@H](CN(C)C(=O)C2(c3ccccc3F)CC2)N2CCOCC2)cc1 36741372 WUNPQLHFBCSTIL-QFIPXVFZSA-N 412.505 3.398 0 40 HGAB C[C@H](NC(=O)CCN1C(=O)c2ccccc2S1(=O)=O)c1ccc(C(C)(C)C)cc1 219665717 IYLBCNBUNYTRMS-HNNXBMFYSA-N 414.527 3.396 0 40 HGAB CC(C)(C)CN1CCC[C@H]1c1nc(-c2ccnc(N3CCC(C(N)=O)CC3)c2)no1 35424702 APDSKKUQHCXXHJ-KRWDZBQOSA-N 412.538 3.016 0 40 HGAB biogenic,in-vitro COc1ccc(Cl)cc1NC(=O)c1nc(-n2ccnc2)ncc1Br 46086835 HWPGQAIMYHMMPX-UHFFFAOYSA-N 408.643 3.339 0 40 HGAB COc1ccc([C@@H](C)NC(=O)C[C@H](NS(C)(=O)=O)c2ccc(Cl)cc2)cc1 225949461 NZWOSSAULVVHEY-ACJLOTCBSA-N 410.923 3.206 0 40 HGAB CCOC(=O)c1ccc(NS(=O)(=O)c2cc(C(=O)OC)ccc2C)cc1Cl 223837961 CWPXMXMFJNNXFV-UHFFFAOYSA-N 411.863 3.413 0 40 HGAB Cc1cc(C)cc(N(CC(=O)Nc2ccc(N3CCCC3)cc2)S(C)(=O)=O)c1 224903890 UKJDIPHCIPAZDU-UHFFFAOYSA-N 401.532 3.308 0 40 HGAB COC(=O)[C@H](CNC(=O)[C@@H]1c2c[nH]nc2CC[C@@H]1C)Cc1cccc2ccccc12 1585814295 QDLLERISIIBGGQ-VPKVUBIPSA-N 405.498 3.377 0 40 HGAB Cc1cnc(CNC(=O)c2nc(-c3cn(Cc4ccccc4)cn3)n3ccccc23)cn1 96155005 NUTIUEUWGQGKBE-UHFFFAOYSA-N 423.480 3.275 0 40 HGAB C[C@@H](C(=O)NCCCCCc1nc2ccccc2n1C)N1Cc2ccccc2C1=O 96232824 ZAUHWCMSARVNKA-KRWDZBQOSA-N 404.514 3.447 0 40 HGAB Cn1c([C@H]2CCCN2C(=O)c2c(-n3cnnn3)sc3c2CCC3)nc2ccccc21 583652524 MQEIPHNKSLOEBD-MRXNPFEDSA-N 419.514 3.077 0 40 HGAB O=C(COc1cccc2cccnc12)N1CCCC[C@H]1c1nnc(-c2cnccn2)o1 257244005 IJLZZDYZTHTMHY-KRWDZBQOSA-N 416.441 3.207 0 40 HGAB Cc1nccn1[C@@H]1CCC[C@@H](NC(=O)Cn2c(CC(C)C)nc3ccccc32)[C@H]1O 257239314 HOTGNJPGECEMCU-KKLQWCBXSA-N 409.534 3.011 0 40 HGAB COc1cccc(NC(=O)N2CCC[C@@H](c3nn(-c4ccccc4)cc3C(N)=O)C2)c1 682736732 UIWROSNHBSUTTN-MRXNPFEDSA-N 419.485 3.391 0 40 HGAB C[C@@H]1CCC[C@H](OCC(=O)NCC(C)(C)CNC(=O)CO[C@@H]2CCC[C@@H](C)C2)C1 602770711 MUHUEYYILWOTCD-WTGUMLROSA-N 410.599 3.436 0 40 HGAB Cn1ccnc1C1(O)C[C@@H]2CC[C@H](C1)N2CC(=O)Nc1cccc(Cl)c1Cl 12114378 YEBPCIMZGRWEOD-ZHZUQJFRSA-N 409.317 3.180 0 40 HGAB CS(=O)(=O)N1CCCc2cc(C(=O)NCc3ccc(C(F)(F)F)cc3)ccc21 12821217 DMSOPJMLZOHSQK-UHFFFAOYSA-N 412.433 3.348 0 40 HGAB O=C(NCCc1ccccc1)[C@@H](c1ccccc1F)N(C(=O)c1csnn1)C1CC1 12873137 PVZYVUAUZTXHJG-HXUWFJFHSA-N 424.501 3.382 0 40 HGAB COc1ccc(S(=O)(=O)NCCSC2CCCCC2)cc1C(=O)NC(C)C 13677813 ZWQKRRADFFUAOL-UHFFFAOYSA-N 414.593 3.178 0 40 HGAB Cc1ccc(N2C(=O)[C@H]3[C@@H](C(=O)C(C)(C)C)N4N=Cc5ccccc5[C@@H]4[C@@H]3C2=O)cc1 16038816 FFSUGNKQQRZUEM-NCYKPQTJSA-N 415.493 3.489 0 40 HGAB CS(=O)(=O)Nc1ccccc1C(=O)OCc1nnc(-c2ccc(Cl)cc2)o1 18263337 FLJPTIILBOTCFW-UHFFFAOYSA-N 407.835 3.119 0 40 HGAB CC(=O)N1CCc2cc([C@H](O)CN3CCN(c4nsc5ccccc45)CC3)ccc21 19019186 VOEWIFUORRDSDX-OAQYLSRUSA-N 422.554 3.061 0 40 HGAB COc1ccc([C@H](NC(=O)C[C@@H]2C(=O)NCCN2C2CCCC2)c2ccccc2)cc1 19553329 JDQHNFAGRDFFBK-ISKFKSNPSA-N 421.541 3.034 0 40 HGAB CN(C)c1ccc(C(=O)N2CCO[C@H](c3c(C(N)=O)sc4ccccc34)C2)cc1 19697721 BWHDILMEDABIMH-KRWDZBQOSA-N 409.511 3.280 0 40 HGAB Cc1ccc(S(=O)(=O)N2CC[C@@H]3[C@H]2CCCC(=O)N3Cc2ccc(F)cc2)cc1 19713098 QTHNOLMAMYZWIW-NHCUHLMSSA-N 416.518 3.478 0 40 HGAB CNC(=O)[C@]1(Cc2cc(C(C)C)no2)CCN(C(=O)c2c[nH]c3ccc(OC)cc23)C1 19739133 YCBVSYMWWBLWQF-QHCPKHFHSA-N 424.501 3.109 0 40 HGAB Cc1cc(NC(=O)c2cccn(CC(=O)N[C@@H](C)c3ccc(C(C)C)cc3)c2=O)no1 19750710 NKYQGOIKWQOJPZ-INIZCTEOSA-N 422.485 3.398 0 40 HGAB COc1ccc(CN2CCC[C@H](c3cc(N)n4nc(C)cc4n3)C2)c(OC)c1OC 12185944 GVMJDFADUJJTJX-HNNXBMFYSA-N 411.506 3.025 0 40 HGAB O=C(CN1CCC[C@H](n2c(=O)oc3ccc(Cl)cc32)C1)N1CCc2ccccc21 19375404 ZHEWFNURIXTLIV-KRWDZBQOSA-N 411.889 3.474 0 40 HGAB COc1cc(/C=C/C(=O)OCN2C(=O)c3ccccc3C2=O)ccc1OC(F)F 4340941 GYAXAXBQDVESFO-VQHVLOKHSA-N 403.337 3.107 0 40 HGAB COc1c(Br)c([C@@H]2ON=C(CO)[C@@H]2C)c(Br)c2c1OCO2 15085864 XNTSHSRZVGLOGX-XUOSJQGZSA-N 423.057 3.005 0 40 HGAB CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCc1nc(C2CCC(F)(F)CC2)no1 575617326 SLFMFKHIDZRWNE-CYBMUJFWSA-N 414.453 3.378 0 40 HGAB CCCN(CC(=O)N(C)[C@@H]1CCS(=O)(=O)C1)[C@@H](C)c1ccc(Cl)c(Cl)c1 40151432 CBBWLCMQQPCCPE-DZGCQCFKSA-N 421.390 3.412 0 40 HGAB CCc1ccccc1N1CCN(S(=O)(=O)C[C@]23CC[C@@H](CC2=O)C3(C)C)CC1 101031446 DWKVGZBHYAUYAJ-PGRDOPGGSA-N 404.576 3.096 0 40 HGAB CCc1ccccc1NC(=O)CN1CCN(Cc2nnc(-c3ccccc3)o2)CC1 20812492 NCOIWQQKKXTKMD-UHFFFAOYSA-N 405.502 3.055 0 40 HGAB O=C(Nc1ccc(Br)cc1)[C@@H]1C[C@@H](O)CN1C(=O)Oc1ccccc1 862003 MGKGRYYZYHUJIB-ZBFHGGJFSA-N 405.248 3.022 0 40 HGAB COc1ccc([C@@H]2C(C(=O)OCc3ccccc3)=C(C)Nc3ncnn32)cc1OC 949739 JAEMYOOHALNREH-HXUWFJFHSA-N 406.442 3.328 0 40 HGAB C[C@@H]1Cc2ccccc2N1C(=O)CSc1nc2ccccc2n1CC(=O)NC1CC1 1340184 HTTMMEWHBHINPG-OAHLLOKOSA-N 420.538 3.385 0 40 HGAB O=C(NCCS(=O)(=O)c1ccc(Br)cc1)c1ccccc1Cl 1391942 GURLMPQXTYDJPU-UHFFFAOYSA-N 402.697 3.306 0 40 HGAB O=C(COC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)Nc1ccccc1F 3373312 ONLLHJUEVYLZDT-UHFFFAOYSA-N 422.368 3.010 0 40 HGAB CCc1ccc(CN(C(=O)COc2ccc(CC)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 4183198 SVASUHRBDZQFGW-OAQYLSRUSA-N 415.555 3.406 0 40 HGAB CCOC(=O)N1CCc2c(sc3c2C(O)=N[C@H](c2ccc(O)c(OC)c2)N3)C1 4525534 SBHPKIJIXKGGTM-INIZCTEOSA-N 403.460 3.406 0 40 HGAB CCn1ncc(C2=NO[C@@H](C(=O)Nc3c(C)nn(Cc4ccc(F)cc4)c3C)C2)c1C 5053466 PRWGONORYWLIRX-HXUWFJFHSA-N 424.480 3.344 0 40 HGAB O=C(/C=C/c1ccc(OC(F)F)cc1)O[C@@H](C(=O)N1CCOCC1)c1ccccc1 5474584 XNVCJSRLUWLOCM-OJLWIZQOSA-N 417.408 3.445 0 40 HGAB CCCC(=O)Nc1cccc(NC(=S)NC(=O)COc2ccc(OC)cc2)c1 5859075 AGMIGPDNWOWNBQ-UHFFFAOYSA-N 401.488 3.326 0 40 HGAB O=C(CN1C(=O)C(=O)N(Cc2ccccc2)C1=O)Nc1ccccc1-c1ccccc1 5870873 VYUHOSRVSBINBO-UHFFFAOYSA-N 413.433 3.283 0 40 HGAB O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(Br)cc1 5894415 BSOBVDGCNKDBMK-UHFFFAOYSA-N 409.305 3.486 0 40 HGAB O=C(Cn1cnc2c(Cl)cc(Cl)cc2c1=O)Nc1ccc2c(c1)OCCO2 6087239 QYHCYXZGPFPCLJ-UHFFFAOYSA-N 406.225 3.113 0 40 HGAB O=C(Nc1ccc(O)cc1)c1cc(S(=O)(=O)N2CCc3ccccc3C2)cs1 6681416 ICKVFTYTZDGLLW-UHFFFAOYSA-N 414.508 3.453 0 40 HGAB CCCn1nnnc1CSc1nnc(-c2cccc(OC)c2)n1Cc1ccco1 7484569 VAMUDVZSDSGBMA-UHFFFAOYSA-N 411.491 3.284 0 40 HGAB CCOC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)Nc2cccc(C)c2)cc1 8416775 IQWLODAEHDMSPF-UHFFFAOYSA-N 412.442 3.072 0 40 HGAB COc1cc(C(=O)Nc2ccc3c(c2)NC(=O)C(C)(C)CO3)cc(OC)c1OC 8959826 BNZAOYWZSFUPJI-UHFFFAOYSA-N 400.431 3.322 0 40 HGAB C[C@@H](NC(=O)CN1C(=O)C(=O)N(C2CCCC2)C1=O)c1ccc(-c2ccccc2)cc1 9437764 BYODEBPSEBUNEM-MRXNPFEDSA-N 419.481 3.264 0 40 HGAB COc1ccc(CNC(=O)CSc2nnc(-c3ccncc3)n2CC(C)C)cc1 9595008 PMGUMWDAEZWNOL-UHFFFAOYSA-N 411.531 3.413 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NC3CCCCC3)C2)cc1Cl 9974629 VYQJPLWEGPMVSL-AWEZNQCLSA-N 414.955 3.198 0 40 HGAB O=S(=O)(c1ccc2c(c1)CCCC2)N1CCN(c2ccc(-c3ccco3)nn2)CC1 12443534 ZDLDZEUBXGSVGX-UHFFFAOYSA-N 424.526 3.126 0 40 HGAB CCOc1ccc(NC(=O)c2cccc(N(C)C)c2)cc1S(=O)(=O)N1CCCC1 12514906 SMGNQITWNNRALF-UHFFFAOYSA-N 417.531 3.188 0 40 HGAB Cn1ccnc1SCCNC(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O 12548062 PSUALOQQHJUKGU-IBGZPJMESA-N 407.495 3.396 0 40 HGAB O=C(CNC(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1)NCc1ccco1 12598899 AXWZQABVQDQWPF-UHFFFAOYSA-N 420.494 3.494 0 40 HGAB Cc1ccc(S(C)(=O)=O)cc1NC(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2 12765934 GAPMBFKBAUWRJC-UHFFFAOYSA-N 418.559 3.060 0 40 HGAB CCc1ccc([C@@H](C)NC(=O)CN2CCC(C(=O)Nc3ccccc3O)CC2)cc1 12774826 BIUWKRHMLWCXJZ-QGZVFWFLSA-N 409.530 3.483 0 40 HGAB Cn1cc(C(=O)OCC(=O)Nc2cc(-c3ccccc3)nn2-c2ccccc2)cn1 12850457 KQRHHKCWOLNPES-UHFFFAOYSA-N 401.426 3.068 0 40 HGAB CCOc1ccc(NC(=O)c2cccnc2SC)cc1S(=O)(=O)N1CCCC1 12907920 BHGAPLAGMJTIHJ-UHFFFAOYSA-N 421.544 3.239 0 40 HGAB CSc1ccc(C)c(C(=O)N2CCN(S(=O)(=O)c3ccc(C)s3)CC2)c1 12980549 GUMJRESPIOHBDH-UHFFFAOYSA-N 410.586 3.234 0 40 HGAB Cc1ccc(O)c(-c2cc(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)[nH]n2)c1 13125552 LVYXWCNUTYNTNK-UHFFFAOYSA-N 403.442 3.141 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)N1CCCc2ccccc21 13596285 QQQOJSUAJIXWRV-UHFFFAOYSA-N 414.527 3.463 0 40 HGAB CCOc1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)cc1 13612934 DROGRTMOGVLYFZ-UHFFFAOYSA-N 416.543 3.498 0 40 HGAB CC(=O)c1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)cc1 14022845 LNMHSESGWOGWMA-SFHVURJKSA-N 400.500 3.237 0 40 HGAB CC(=O)N1CCN(c2ccccc2NC(=S)NC(=O)c2cccc(Cl)c2)CC1 17090911 XVHCDMFXMKACDA-UHFFFAOYSA-N 416.934 3.135 0 40 HGAB O=C(Nc1ccccc1)[C@H]1CCCN(C(=O)C[C@@H]2Sc3ccccc3NC2=O)C1 17824700 NLHGUVXVGUPLHH-KXBFYZLASA-N 409.511 3.367 0 40 HGAB Cc1cccc(-n2ccnc2SCC(=O)OCC(=O)c2ccc(O)cc2O)c1C 18336465 CFABEYFYHZUMNX-UHFFFAOYSA-N 412.467 3.419 0 40 HGAB COc1cccc(CC(=O)N[C@H](Cc2c[nH]c3ccccc23)c2cc(=O)[nH]c(C)n2)c1 19240992 JCORZYFDWCUEOW-OAQYLSRUSA-N 416.481 3.211 0 40 HGAB Cc1nc2c(c(=O)[nH]1)C[C@@H]1CC[C@H](C2)N1C(=O)c1ccc(-c2csc(C)n2)cc1 19286332 LRQSVAYPLVRQNP-DLBZAZTESA-N 406.511 3.282 0 40 HGAB Cn1ccnc1[C@@H](c1ccccc1)N1CCN(C(=O)[C@H]2CCN2C2CCCCC2)CC1 19291300 ATHZOPWLUAKWTM-DHIUTWEWSA-N 421.589 3.061 0 40 HGAB O=C(C1CC1)N1CCCc2cc([C@H](O)CN3CCN(c4ccc(F)cc4)CC3)ccc21 19335377 KUWZSAMMJLDNLN-XMMPIXPASA-N 423.532 3.371 0 40 HGAB O=C1NCCN(C(=O)CCc2ccccc2)C[C@@H]1Cc1ccccc1-c1ccncc1 19370827 KGYZAHFPJZVPSY-QHCPKHFHSA-N 413.521 3.499 0 40 HGAB CN(C)C(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CCCN(C(=O)c2ccncc2)C1 19579399 YJKDXLKPTFVMNH-XMMPIXPASA-N 418.497 3.290 0 40 HGAB CC1CCC2(CC1)NC(=O)N(CC(=O)N(Cc1ccccn1)C1CCCCC1)C2=O 19715422 JISMOSDFAOXVOS-UHFFFAOYSA-N 412.534 3.244 0 40 HGAB CNc1cc(CN(C)C(C)=O)nc([C@@H]2CCCN2C(=O)c2cc3ccccc3o2)n1 19759211 LVQMJQAMZFNTLQ-KRWDZBQOSA-N 407.474 3.220 0 40 HGAB Cc1cc(SCC(=O)Nc2nc(-c3ccc(F)cc3)cs2)n2ncnc2n1 19852414 SPFOCJKNQBDXPS-UHFFFAOYSA-N 400.464 3.426 0 40 HGAB O=C(CCSc1nnnn1-c1ccc(C(=O)O)cc1)Nc1ccc(Cl)cc1 19853344 WBDNCUZXMKKJGE-UHFFFAOYSA-N 403.851 3.135 0 40 HGAB CCOc1ccc([C@H](C)NC(=O)CN(c2cc(C)ccc2OC)S(C)(=O)=O)cc1 20037905 WUDBZTFZYKKGIK-INIZCTEOSA-N 420.531 3.046 0 40 HGAB COc1cc2c(cc1OC)C(=O)[C@@H]([C@H]1c3c(cc4c(c3OC)OCO4)CCN1C)C2 20759380 RJQXXRSHMDJYGT-QRWLVFNGSA-N 411.454 3.025 0 40 HGAB biogenic Cc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCCC2)c(C)c1 22246462 GBRCTKLOSNBVPG-FQEVSTJZSA-N 400.544 3.124 0 40 HGAB Cc1ccc([C@H](C)NC(=O)CN(c2ccc(OC(C)C)cc2)S(C)(=O)=O)cc1 22397513 BATZPENWUQVPJT-KRWDZBQOSA-N 404.532 3.426 0 40 HGAB c1ccc(-c2noc(CCCN3CCN(Cc4ccc5c(c4)CCO5)CC3)n2)cc1 22807032 WVQJFHSPPZMSSY-UHFFFAOYSA-N 404.514 3.422 0 40 HGAB Cc1ccccc1-c1noc(CN2CCN(CC(=O)Nc3c(C)cccc3C)CC2)n1 22916516 FMBXGHHUFPKVSI-UHFFFAOYSA-N 419.529 3.418 0 40 HGAB CNS(=O)(=O)c1ccc(C)c(C(=O)NCc2ccc(-c3csc(C)n3)cc2)c1 24929765 MNWDOOXGRUDNIV-UHFFFAOYSA-N 415.540 3.265 0 40 HGAB O=C1c2ccccc2C(=O)N1C[C@H](O)CN(Cc1ccccc1)Cc1ccccc1 24960213 RGDKUZJHURDGQJ-OAQYLSRUSA-N 400.478 3.346 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3nc4c(s3)CCC4)C2)s1 25769383 RKLIHSBXYJCCOM-GFCCVEGCSA-N 411.574 3.041 0 40 HGAB COc1ccc([C@H](CNc2nc3ccccc3nc2C)N2CCOCC2)cc1OC 30009182 KFTOLIHTFOQWFH-FQEVSTJZSA-N 408.502 3.441 0 40 HGAB CSc1cccc(N2C[C@H](C(=O)NCc3ccc(Cn4ccnc4)cc3)CC2=O)c1 30218029 MOVXELWCMIFMQP-LJQANCHMSA-N 420.538 3.323 0 40 HGAB Cc1cccc([C@H](CNC(=O)Cc2csc(-c3ccco3)n2)N2CCOCC2)c1 31995030 NMYSCYGFCZWKRI-IBGZPJMESA-N 411.527 3.444 0 40 HGAB COC(=O)c1c(NC(=O)COc2cccc(N3CCCC3=O)c2)sc(C)c1C 32765150 KIKDCYMBNMCWTO-UHFFFAOYSA-N 402.472 3.296 0 40 HGAB CC[C@@H](C)NC(=O)c1ccccc1NS(=O)(=O)c1ccc2oc(=O)ccc2c1 32908769 IJIAAEWASPABDH-CYBMUJFWSA-N 400.456 3.122 0 40 HGAB O=C(Nc1nnc(Cc2ccccc2)s1)[C@H]1CC(=O)N(CCc2ccccc2)C1 32971619 ZHNVMFXGJGXFLY-SFHVURJKSA-N 406.511 3.159 0 40 HGAB CCOC(=O)c1coc(N(C(=O)c2ccccc2OC)C(=O)c2ccccc2OC)n1 33435793 RBWHEQOXCOPJGD-UHFFFAOYSA-N 424.409 3.356 0 40 HGAB Cn1c(-c2cccs2)nn(CCNC(=O)c2ccccc2SC(F)F)c1=O 36708607 AANXPFXXQAGUQT-UHFFFAOYSA-N 410.471 3.055 0 40 HGAB O=C(C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)NCc1nnc2n1CCC2 40025397 BNDIRSNURJFFQW-SFHVURJKSA-N 423.904 3.055 0 40 HGAB O=C(CCSc1ccccc1Br)NC1CCN(C(=O)C2CC2)CC1 40106537 JPNCCFWNWCCAGT-UHFFFAOYSA-N 411.365 3.449 0 40 HGAB O=C(NCc1ccc(F)cc1C(F)(F)F)c1ccc(S(=O)(=O)N2CCCC2)o1 40106685 KXDHJDKTKSRSSJ-UHFFFAOYSA-N 420.384 3.152 0 40 HGAB C[C@]12CSCC(=O)N1[C@@H](C(=O)Nc1ccc3c(c1)OC1(CCCCC1)O3)CS2 40146590 CNGCCMOEFKXAHN-KUHUBIRLSA-N 420.556 3.464 0 40 HGAB O=S(=O)(c1cccs1)N1CCC[C@H](c2nnc(-c3ccc4c(c3)OCO4)o2)C1 42380054 XJBXLGJAEGJHLK-ZDUSSCGKSA-N 419.484 3.095 0 40 HGAB Cc1ccccc1-c1noc(CCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)n1 44842128 KIHJYVOOBMQHJE-UHFFFAOYSA-N 400.479 3.057 0 40 HGAB COc1cccc(-c2ccc(=O)n(CC(=O)Nc3cccc(Br)c3)n2)c1 44893035 WHZWCCUZKZHTGZ-UHFFFAOYSA-N 414.259 3.320 0 40 HGAB CCS(=O)(=O)N1CCC(C(=O)Nc2c(C)cc(Br)cc2C)CC1 45999246 JYDBGLVSOTYJFY-UHFFFAOYSA-N 403.342 3.066 0 40 HGAB CCc1cc(=O)n(CC(=O)N2CCOc3ccc(C)cc32)c(-c2cccc(F)c2)n1 57508243 JJROYOGBZJXNOP-UHFFFAOYSA-N 407.445 3.346 0 40 HGAB CCCCOc1ccc(C(=O)NCC(=O)N(C)Cc2ncc(C)c(OC)c2C)cc1 58139839 OWLZCYFBSGEEEY-UHFFFAOYSA-N 413.518 3.274 0 40 HGAB O=C(c1ccc(F)cc1)c1ccccc1C(=O)N1CCCN(C[C@H]2CCCO2)CC1 58203447 OJZQYUZOEYJOBL-HXUWFJFHSA-N 410.489 3.384 0 40 HGAB O=C(NC1CCCC1)c1cc([C@H]2CCCCN2C(=O)COc2ccc(F)cc2)n[nH]1 72380708 LWGOAELFXZRPRE-HXUWFJFHSA-N 414.481 3.354 0 40 HGAB COc1ccc([C@@](C)(O)[C@@H]2CCCN2C(=O)Nc2ccc(C(N)=O)c(Cl)c2)cc1 89904818 OBPICHLUTZHFJA-GHTZIAJQSA-N 417.893 3.352 0 40 HGAB CCOC(=O)C(c1c(O)c2ccccc2oc1=O)c1c(O)c2ccccc2oc1=O 95564733 JCLHQFUTFHUXNN-UHFFFAOYSA-N 408.362 3.006 0 40 HGAB biogenic,in-man COc1ccc2cc([C@@H]3CC(=O)Oc4ccc5c(C)cc(=O)oc5c43)c(=O)[nH]c2c1 96221895 QZKBFRIVXRFRID-HNNXBMFYSA-N 403.390 3.393 0 40 HGAB biogenic NC(=O)C(=S)Nc1c(Br)cc(Br)cc1Br 98175510 GKWKCZGNPKHOMD-UHFFFAOYSA-N 416.920 3.199 0 40 HGAB C[C@H](NC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)[C@H]1C[C@H]2CC[C@H]1C2 107133697 ZKPMRPACCARHHJ-MCNSAMFCSA-N 404.576 3.345 0 40 HGAB O=C(O)CN(c1ccccc1Br)S(=O)(=O)c1ccc(Cl)cc1 113877570 PTZSOEZLOIRFBG-UHFFFAOYSA-N 404.669 3.382 0 40 HGAB Cc1ccccc1N(CCCC(=O)NCCCc1ccc(F)cc1)S(C)(=O)=O 222559088 XXIWJFCXVKZODR-UHFFFAOYSA-N 406.523 3.429 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)NCCOc1ccccc1 224101855 BRVVSBAESFZMGM-UHFFFAOYSA-N 416.543 3.224 0 40 HGAB CN(C)CCOc1ccccc1C(=O)N1CCC[C@H]1c1ccnc(-c2ccccn2)n1 257265102 LXIDCWQQVTUXNJ-NRFANRHFSA-N 417.513 3.456 0 40 HGAB S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2-c2cccnc2)N1C[C@H]1CCCO1 260913974 FXVDEKYEZVWBBT-DUXKGJEZSA-N 405.527 3.419 0 40 HGAB CCS(=O)(=O)N1C[C@H](C(=O)N[C@@H](C)c2cc(C)c(C)cc2C)Oc2ccccc21 260943063 SXSSBMUQPCOVIH-LAUBAEHRSA-N 416.543 3.406 0 40 HGAB Cc1cc(OC2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)nc(C)n1 390827359 GNBONACPTPNHEX-UHFFFAOYSA-N 415.437 3.344 0 40 HGAB CCCC[C@@H](C(=O)OCC(=O)Nc1ccc(OC)cc1)N1C(=O)c2ccccc2C1=O 408662861 NXYMUVJZCGRGQE-IBGZPJMESA-N 424.453 3.032 0 40 HGAB O=S(=O)(NC[C@H](O)c1ccc(-c2ccsc2)s1)c1ccc2c(c1)CCO2 1775969763 KKLLNIYZXXWUDF-HNNXBMFYSA-N 407.538 3.423 0 40 HGAB Cc1cc(C)cc(OCCCn2c(CN3CCOCC3)nc3ccccc3c2=O)c1 32741487 GXIUAWPTSVTMGI-UHFFFAOYSA-N 407.514 3.315 0 40 HGAB CCOc1ccc(N(CC(=O)NCc2ccc(F)cc2)C(=O)c2csnn2)cc1 1346800 GDAYUTGZDAOQAS-UHFFFAOYSA-N 414.462 3.039 0 40 HGAB CC(C)CCNC(=O)CN(C(=O)CCC(=O)Nc1ccccn1)c1cccc(F)c1 4848282 YRSNMAQXEOIUCH-UHFFFAOYSA-N 414.481 3.135 0 40 HGAB CCOc1ccc(NC(=O)[C@H]2CCCN(c3c(CC)c(C)nc4ncnn34)C2)cc1 4898132 JHAMDJLHPSYECA-INIZCTEOSA-N 408.506 3.249 0 40 HGAB C[C@H]1CS(=O)(=O)N(c2ccc(C(=O)Nc3ccc(C(F)(F)F)cc3)cc2)C1=O 12005968 WPPSFZXVVURAGD-NSHDSACASA-N 412.389 3.270 0 40 HGAB COC(=O)c1ccc(CSc2nc(=O)c3cnn(-c4ccc(C)c(C)c4)c3[nH]2)o1 6498178 SNJREOTTXODXNX-UHFFFAOYSA-N 410.455 3.398 0 40 HGAB COc1ccc(-c2nc(C(=O)NCCCN3C[C@H](C)O[C@H](C)C3)cs2)cc1OC 32903360 MYJROGVPDJNEID-GASCZTMLSA-N 419.547 3.056 0 40 HGAB Cc1cc(C)cc(NC(=O)COC(=O)[C@@H](CC(C)C)N2C(=O)c3ccccc3C2=O)c1 8412001 PWEIBKJRNXYORG-HXUWFJFHSA-N 422.481 3.496 0 40 HGAB CCOC(=O)c1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccccc2C)cc1 8415757 QVKYKCGNXZOUMP-UHFFFAOYSA-N 412.442 3.072 0 40 HGAB COc1ccc(NC(=O)c2ccccc2N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c(OC)c1 8434138 KCZGXEQVABUQIV-HZPDHXFCSA-N 406.438 3.412 0 40 HGAB COC(=O)[C@H]1[C@H](C(=O)OC)[C@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl 100390036 MDHHRPHYYRMIPH-JUVWJLFHSA-N 416.899 3.410 0 40 HGAB CC(C)(C)NC(=O)CN1CCCN(CC(=O)Nc2ccc(-c3ccccc3)cc2)CC1 22811730 RIDIQYYZDCYRCC-UHFFFAOYSA-N 422.573 3.215 0 40 HGAB COc1ccc2cc([C@]3(C)NC(=O)N(Cc4nnc(-c5ccco5)o4)C3=O)ccc2c1 9516117 KEWILZYUBFEUDO-QFIPXVFZSA-N 418.409 3.459 0 40 HGAB Cc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)N3C[C@]4(C)C[C@@H]3CC(C)(C)C4)=C2)cc1 101551447 ODWCFJGZMPUGCD-HTAPYJJXSA-N 415.559 3.285 0 40 HGAB CCCN(CCC)C(=O)Cn1c(=O)n(-c2ccc(C)c(C)c2)c(=O)c2sccc21 57491050 CBOWKMMVOJOFEV-UHFFFAOYSA-N 413.543 3.479 0 40 HGAB CC(C)CCn1c(=O)c2ccccc2n(CC(=O)NCc2ccccc2Cl)c1=O 57525823 ZSEPOEVZIRUCPO-UHFFFAOYSA-N 413.905 3.179 0 40 HGAB O=C([C@@H]1CN(Cc2ccc(C(F)(F)F)cc2)c2ccccc2O1)N1CCOCC1 27374474 PBMNDWQKNHVOII-IBGZPJMESA-N 406.404 3.332 0 40 HGAB O=C(NCc1ccc(N2CCCC[C@@H]2CCO)nc1)c1cc(-c2ccccc2)[nH]n1 58061848 RJYILECLYCLWDN-LJQANCHMSA-N 405.502 3.143 0 40 HGAB CCc1ccc(OCC(=O)Nc2nnc(S(=O)(=O)Cc3ccccc3)s2)cc1 27664697 ZGGIGKJCSYMOBN-UHFFFAOYSA-N 417.512 3.092 0 40 HGAB O=C(O[C@H](C(=O)N1CCCC1)c1ccccc1)c1ccc(CN2CCOCC2)cc1 22835527 LJPIUALHTGPTHX-QFIPXVFZSA-N 408.498 3.039 0 40 HGAB CC1=NN(c2ccc(C(=O)O[C@@H](C)C(=O)N3CCN(c4ccccc4)CC3)cc2)CC1 78413868 RLCOQAAXFKSDIT-IBGZPJMESA-N 420.513 3.167 0 40 HGAB Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)N1C[C@H](C(N)=O)Oc2ccccc21 12785113 QKHDHYASNFVFDG-GOSISDBHSA-N 402.516 3.043 0 40 HGAB Cc1ccc(-c2noc(CN3CCN(C(=O)COc4ccc(C)cc4C)CC3)n2)cc1 12757911 HLODDULUNWRQJQ-UHFFFAOYSA-N 420.513 3.385 0 40 HGAB Cc1ccc(Nc2nn(CN(C)[C@H]3CCS(=O)(=O)C3)c(=S)s2)cc1Cl 12866393 ZGJJIEGDUJVCKE-LBPRGKRZSA-N 418.997 3.456 0 40 HGAB CCOC(=O)C1=C(C)N(CCCCCC(=O)O)C(=O)N[C@@H]1c1ccc(OC)cc1 12893135 MLKLTGDBJNTATL-LJQANCHMSA-N 404.463 3.244 0 40 HGAB CN(Cc1ccc(/C=C/C(=O)Nc2ccc(F)c(C(F)(F)F)c2)o1)S(C)(=O)=O 20030420 KEOZBNQXLCFWCT-SOFGYWHQSA-N 420.384 3.481 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)CN2c3ccccc3C[C@H]2C)cc1 3536947 AJROJMBOFALFSW-MRXNPFEDSA-N 401.532 3.107 0 40 HGAB Cc1ccc(NC(=O)CCC(=O)c2ccc3c(c2)CCC3)cc1S(=O)(=O)N(C)C 12925461 ASEVIMZBKHHLMK-UHFFFAOYSA-N 414.527 3.336 0 40 HGAB Cc1cc(S(=O)(=O)N2CCc3ccccc32)ccc1OCC(=O)NC(C)(C)C 408560030 BOTMSDDKJAOBJW-UHFFFAOYSA-N 402.516 3.040 0 40 HGAB COC(=O)[C@@H]1[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN21 20292720 ZLKBZGWRWIUZEZ-MANSERQUSA-N 408.841 3.028 0 40 HGAB Cc1ccc(C)c(C(=O)COC(=O)[C@@H](C(C)C)N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@@H]3C2=O)c1 4178429 LFVFIRCVBDCTAY-CEDHKZHLSA-N 411.498 3.085 0 40 HGAB Cc1ccc2c(c1)N(S(C)(=O)=O)CC[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)O2 64988620 WEKNMXKLFZFORV-KRWDZBQOSA-N 412.870 3.343 0 40 HGAB CC(C)CC[C@@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 14201857 DFAFDLXDGLEZOK-CQSZACIVSA-N 402.507 3.306 0 40 HGAB CCCOc1ccc(C(=O)CCC(=O)OCC(=O)NC(=O)NC2CCCCC2)cc1 6559637 CVRMFHFEKQQZAF-UHFFFAOYSA-N 418.490 3.140 0 40 HGAB COCCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(OCCC(C)C)c(OC)c1 6763784 RJHNIPRIBPCFRO-IBGZPJMESA-N 422.547 3.103 0 40 HGAB CN(C(=O)CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)C1CCCCC1 5829504 CMYJXZVTAOIQMW-UHFFFAOYSA-N 405.498 3.273 0 40 HGAB COc1ccc([C@H]2CCCN2C(=O)c2sc3ncn(C)c(=O)c3c2C)c(OC)c1 15830439 BDBUVGYUUCPVAO-OAHLLOKOSA-N 413.499 3.298 0 40 HGAB O=C1CCCN1c1ccccc1NS(=O)(=O)c1ccc(Br)s1 7726673 KIOLCEZAJSCFCS-UHFFFAOYSA-N 401.307 3.438 0 40 HGAB CN(CC(=O)Nc1cccc(F)c1)C(=O)c1ccc(Cn2nnc3ccccc32)cc1 7963603 WHXLERCFFPPHQQ-UHFFFAOYSA-N 417.444 3.329 0 40 HGAB COc1cccc2c1ccn2CC(=O)Nc1cccc(N2CCCCS2(=O)=O)c1 71283924 DDVUKFAEQUTDTN-UHFFFAOYSA-N 413.499 3.219 0 40 HGAB CS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1nc(-c2cccs2)cs1 9167097 UNNBEOQQTNDDQH-OAHLLOKOSA-N 419.553 3.197 0 40 HGAB COc1cccc(C2=Nn3c(nnc3-c3cnn(-c4ccccc4)c3N)SC2)c1 19897506 BWLWMVTXYKITHX-UHFFFAOYSA-N 403.471 3.080 0 40 HGAB O=S(=O)(N1CCCCC1)N1CCC2(CC1)C[C@@H]2c1nnc(-c2ccccc2)o1 71889716 JCOGTSYQBSWYMO-QGZVFWFLSA-N 402.520 3.037 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)NCc1ccc(Cl)cc1 408700676 KCRNNBCCXMLRPV-UHFFFAOYSA-N 408.907 3.063 0 40 HGAB CCOc1ccc(S(=O)(=O)N2CCc3c(ncn3CCc3ccccc3)C2)cc1 95465297 CAVGVFUYGVGVIY-UHFFFAOYSA-N 411.527 3.272 0 40 HGAB COc1ccc(-c2nc(SCC(=O)Oc3ccccc3C)n3[nH]c(=O)cc3n2)cc1 21885432 APFQNJJYVULJHU-UHFFFAOYSA-N 422.466 3.099 0 40 HGAB CCOc1ccc(/C=C2\SC(=O)N(CC(=O)N(CC)CC)C2=O)cc1OCC 409210702 GGQSZPGPVNTQRZ-ATVHPVEESA-N 406.504 3.389 0 40 HGAB COc1cc(/C=C2\NC(=O)N(Cc3ccccc3)C2=O)c(Br)cc1O 409198234 AJZIGFROELNWRZ-AUWJEWJLSA-N 403.232 3.256 0 40 HGAB O=C(Nc1ccc(F)c(Cl)c1)C1CCN(c2cc(-n3ccnc3)ncn2)CC1 70637976 WAMKPIFOLJAYNR-UHFFFAOYSA-N 400.845 3.310 0 40 HGAB C[C@H](CCc1ccccc1)NC(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1 32999966 KUKDIGKQOHOFRH-MRXNPFEDSA-N 406.573 3.213 0 40 HGAB O=C(Cc1ccc(O)cc1)N1CCC(Cn2nc(-c3cccs3)ccc2=O)CC1 72334912 SWKOLTZYYTVJKG-UHFFFAOYSA-N 409.511 3.159 0 40 HGAB Cc1cccc(NC(=O)[C@@H](C)N(C)CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)c1 34887428 VPBOISLQEAWGJQ-DLBZAZTESA-N 408.502 3.018 0 40 HGAB COc1cc(C(=O)N2CCC(CCc3ccc(C)cc3)CC2)ccc1OCC(N)=O 32857587 KZTWRIXVZXCRFE-UHFFFAOYSA-N 410.514 3.353 0 40 HGAB CCOC(=O)[C@]1(N)[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218529348 FFXNCYLNVYVEDP-RYRKJORJSA-N 414.310 3.194 0 40 HGAB COc1cc(CN2CCC3(CC2)Nc2ccccc2C2=NCCCN23)cc2c1OCO2 72342673 RWJSBBSMWPEOIS-UHFFFAOYSA-N 420.513 3.294 0 40 HGAB CSc1ccc(S(=O)(=O)N(C)CC(=O)NC(C)(C)Cc2ccccc2)cc1 225195035 KLKZBQUFQGTOCD-UHFFFAOYSA-N 406.573 3.167 0 40 HGAB Cc1ccc(OCCNC(=O)CN(c2c(C)cccc2C)S(C)(=O)=O)cc1Cl 224131491 FOQLLKCKDIVKQD-UHFFFAOYSA-N 424.950 3.226 0 40 HGAB COC(=O)CSc1nnc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)s1 224993286 HZICMZPODMVJBO-UHFFFAOYSA-N 401.897 3.253 0 40 HGAB CC[C@H](NC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C)c1ccc(C)cc1 44843251 VYQBGIIVVWCGHE-FQEVSTJZSA-N 417.575 3.492 0 40 HGAB COc1ccc(C)cc1N(CC(=O)O)S(=O)(=O)c1ccc(Br)cc1 224730687 GFKVWBNGRFISGD-UHFFFAOYSA-N 414.277 3.046 0 40 HGAB COc1ccc([C@H]2CC(O)=Nc3c2ncn3-c2cccc(F)c2)cc1OCC(N)=O 40284490 GDPOERHFBIJXAZ-OAHLLOKOSA-N 410.405 3.008 0 40 HGAB COc1ccc(C)cc1N([C@@H](C)C(=O)NCCCc1ccc(C)cc1)S(C)(=O)=O 220343800 IJGUZEXECZOSHF-SFHVURJKSA-N 418.559 3.216 0 40 HGAB O=C(NC1CCN(c2cc(C(F)(F)F)ncn2)CC1)c1cc(=O)c2ccccc2o1 244914777 BDPRATAYWLZBSN-UHFFFAOYSA-N 418.375 3.001 0 40 HGAB OCCn1ncc(-c2ccnc(N3CCCC3)n2)c1[C@@H]1CCCN1C[C@@H]1CC=CCC1 257205730 BAJDLLXLZXJYKP-KNQAVFIVSA-N 422.577 3.426 0 40 HGAB Cc1cccc(N([C@H](C)C(=O)NCc2cccc(C(F)(F)F)c2)S(C)(=O)=O)c1 260760945 CQCYLFPYJSODGX-CQSZACIVSA-N 414.449 3.485 0 40 HGAB Cn1nc(NC(=O)c2ccc(F)c(S(=O)(=O)N3CCCCC3)c2)c2ccccc21 1627714904 IVMSVKPPHNZPHU-UHFFFAOYSA-N 416.478 3.139 0 40 HGAB COc1ccc(NC(=O)CC[C@H]2N=C(O)N(CCc3c[nH]c4ccccc34)C2=O)cc1 36596805 LWONZIAPRMHXGK-HXUWFJFHSA-N 420.469 3.263 0 40 HGAB biogenic Cc1nnsc1C(=O)N1CCC(CNC(=O)C23CC4CC(CC(C4)C2)C3)CC1 43986763 NTBZYJXDVDJDEA-UHFFFAOYSA-N 402.564 3.031 0 40 HGAB CC[C@@H](C)C(=O)N1CCC(c2nc3c(c(=O)[nH]2)CN(CC2CCCCC2)CC3)CC1 72398931 HCCIAOJOUZNYRF-QGZVFWFLSA-N 414.594 3.460 0 40 HGAB O=C1[C@H](NS(=O)(=O)c2cccc3scnc23)CCCN1c1ccccc1Cl 1621833700 VXNFCAVUFCKSBX-CYBMUJFWSA-N 421.931 3.424 0 40 HGAB CC(C)N1C(=O)c2ccccc2[C@H](C(=O)N(C)C)C12CCN(Cc1ccccn1)CC2 1549166244 BSKDHQBEUPFSBE-JOCHJYFZSA-N 420.557 3.152 0 40 HGAB COC[C@H](C)n1c(C)cc(C(=O)COC(=O)Cc2ccc(OC)c(OC)c2)c1C 5665973 DAEOMSSCPKENGM-HNNXBMFYSA-N 403.475 3.298 0 40 HGAB CCN1CCC(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccccc2)CC1 12532661 WJFSDXPABVGFEW-UHFFFAOYSA-N 411.531 3.327 0 40 HGAB C[C@@H](NCC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1)c1ccc2ccccc2c1 12904909 NYUTYECZKXFKIT-VGSWGCGISA-N 414.571 3.449 0 40 HGAB COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(F)c(Cl)c2)cc1Cl 16188177 DSJQLIUHUGKVRW-UHFFFAOYSA-N 421.277 3.400 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(CCC(=O)Oc2ccc(C(C)=O)cc2)cc1 18077062 XMZMBBQBPISYBX-UHFFFAOYSA-N 403.500 3.458 0 40 HGAB COc1ccccc1CC(=O)N[C@H](Cc1cc(=O)[nH]c(C)n1)c1ccc(Cl)cc1 19285305 PUQXBJGIALGBSO-LJQANCHMSA-N 411.889 3.383 0 40 HGAB CCNC(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CCN(C(=O)c2cnccn2)C1 19529099 VOCCWSTXLISMPZ-QHCPKHFHSA-N 420.538 3.416 0 40 HGAB COc1ccc([C@@H]2CCCN2C(=O)CCC(=O)N2CC(=O)Nc3ccccc32)cc1 19718097 SRCXFODLEVQKGD-IBGZPJMESA-N 407.470 3.124 0 40 HGAB COc1cc(-c2cnc(N3C[C@@H](C)O[C@H](C)C3)nc2-c2cccs2)nc(OC)n1 12240474 KDBUEGNZUYFSGL-CHWSQXEVSA-N 413.503 3.293 0 40 HGAB Cc1cc(C)n2nc(C)c(C(=O)N3CC[C@]4(CCN(Cc5ccccc5)C4)C3)c2n1 553125350 HOSIADULJMPNOV-DEOSSOPVSA-N 403.530 3.393 0 40 HGAB C[C@@]1(C2CCN(Cc3cccc(C(=O)O)c3)CC2)CN(Cc2ccccc2)C(=O)CO1 1848356897 KAGXUBOFHUURCD-VWLOTQADSA-N 422.525 3.415 0 40 HGAB COC(=O)c1oc(COC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2)cc1C 30682458 VOWFOXDGDKVYKN-FQEVSTJZSA-N 421.449 3.459 0 40 HGAB Cc1ccc(-n2ncc3c(SCC(=O)Nc4nnc(C)s4)ncnc32)c(C)c1 4341761 YKBTYFIBBHDYDD-UHFFFAOYSA-N 411.516 3.323 0 40 HGAB COc1ccc(NC(=O)c2ccc(S(=O)(=O)N(C)Cc3ccco3)cc2)cc1 5373471 PDSRPYMODWVOKZ-UHFFFAOYSA-N 400.456 3.361 0 40 HGAB COc1ccc(C(=O)Nc2nc3c(s2)CC[C@@H]3C(=O)NCc2cccnc2)cc1 8979842 QXGCIQOEEREKMK-INIZCTEOSA-N 408.483 3.145 0 40 HGAB Cc1ccc(-c2nc3scc(CCNC(=O)C(=O)Nc4cccc(F)c4)n3n2)cc1 9568971 LKSXEFQJYNUVSM-UHFFFAOYSA-N 423.473 3.203 0 40 HGAB O=C(Cc1cc(O)nc(SCc2cccc(Cl)c2)n1)NCc1cccnc1 23138223 AGKDGHVTNIGZBA-UHFFFAOYSA-N 400.891 3.382 0 40 HGAB Cc1nc2c(c(=O)n1CC(=O)Nc1c(F)cccc1F)CN(Cc1ccccc1)CC2 49400849 BXGLMOMNAZBRCY-UHFFFAOYSA-N 424.451 3.027 0 40 HGAB CC(C)CN1C[C@H]2C(=O)NC3(CCN(C(=O)Nc4cccc(Cl)c4)CC3)[C@H]2C1 503814751 OGVNPYJVUGWDJU-MSOLQXFVSA-N 404.942 3.040 0 40 HGAB O=C(CN1Cc2ccccc2[C@H](c2ccccc2)C1)N1CCN(c2ccccn2)CC1 40051484 QEZUQRBADUYNDU-DEOSSOPVSA-N 412.537 3.378 0 40 HGAB COc1ccc2cc([C@]3(C)NC(=O)N(C[C@@H](O)c4ccccc4F)C3=O)ccc2c1 40068496 YZXMBBFXTYNOHD-OFNKIYASSA-N 408.429 3.488 0 40 HGAB CC(C)CN1C[C@@H](C(=O)N2CCc3[nH]c4ccc(Br)cc4c3C2)CC1=O 30112484 BEYANXAWHGQOJQ-ZDUSSCGKSA-N 418.335 3.320 0 40 HGAB CCC(=O)N1CCCC[C@H]1C(=O)N(C)CC(=O)Nc1ccc(Cl)c(Cl)c1 40151797 WFCKMWZCYMFKLS-HNNXBMFYSA-N 400.306 3.181 0 40 HGAB CCn1c(CCNC(=O)c2cccc(C)c2)nnc1SCC(=O)Nc1ccccc1 634010 CNFAAJLHIFNSMY-UHFFFAOYSA-N 423.542 3.310 0 40 HGAB Cc1ccc(C(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(C(=O)OC(C)C)cc3)C2)cc1 993280 HLIDQPBHUHAZRQ-IBGZPJMESA-N 423.465 3.339 0 40 HGAB O=C(NCc1ccco1)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 1105935 NXZFDNXXKASUBF-MRXNPFEDSA-N 403.438 3.201 0 40 HGAB CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1cn2ccccc2n1 3439058 UXPBAXJPCJWZPS-UHFFFAOYSA-N 410.474 3.221 0 40 HGAB COCCCN1C(=O)c2ccc(C(=O)O[C@H](C)C(=O)c3ccc(C)cc3)cc2C1=O 3525987 UOEUTFLKJXXXPR-OAHLLOKOSA-N 409.438 3.056 0 40 HGAB Cc1ccc([C@@H]2[C@H](C(=O)OCC(C)C)C(=O)C[C@@](C)(O)[C@@H]2C(=O)OCC(C)C)cc1 4127306 HPCNXPUAEASMIE-IUBSTNSRSA-N 418.530 3.433 0 40 HGAB CCOc1ccccc1NC(=O)Cn1cnc2c(cnn2-c2cccc(C)c2C)c1=O 4479200 GKKFFHHNEJBIOS-UHFFFAOYSA-N 417.469 3.236 0 40 HGAB Cc1ccccc1N(CC(=O)NCCC(C)C)C(=O)CCC(=O)Nc1nccs1 4848397 CVJCSZGTXBEDJG-UHFFFAOYSA-N 416.547 3.366 0 40 HGAB Cc1cn2c3c(=O)n(Cc4ccccc4Cl)c(=O)n(C)c3nc2n1C1CCCC1 4945195 ZZOOSPMKFSMZBA-UHFFFAOYSA-N 411.893 3.275 0 40 HGAB Cc1ccc(NC(=O)CSCC(=O)OCc2nc3ccsc3c(=O)[nH]2)c(C)c1 5174377 RXGWVSCUWXPKBT-UHFFFAOYSA-N 417.512 3.017 0 40 HGAB COc1ccc(S(=O)(=O)Nc2ccc(N3CCCCC3=O)c(C)c2)c(OC)c1 5329878 UHAOEWXDSTVHGP-UHFFFAOYSA-N 404.488 3.330 0 40 HGAB CC(C)[C@@H](NC(=O)C1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1)C(=O)O 5353852 UKVWFTDBYCGOFA-QGZVFWFLSA-N 404.507 3.181 0 40 HGAB Cn1c(SCC(=O)OCC(=O)N[C@H]2CCCc3ccccc32)nc2ccccc21 5827633 VUUIFKFOWWEPOK-KRWDZBQOSA-N 409.511 3.402 0 40 HGAB Cc1cc(C(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)c(C)n1Cc1ccco1 7062634 XBQGNBGCVXHWGY-DEOSSOPVSA-N 417.465 3.322 0 40 HGAB C[C@@]1(c2cccc3ccccc23)NC(=O)N(CC(=O)NCCc2cccs2)C1=O 7827289 JVYOFRFZIGJPKR-QFIPXVFZSA-N 407.495 3.027 0 40 HGAB COc1ccc(NC(=O)CCCN(c2cccc(C)c2)S(C)(=O)=O)cc1OC 8040729 UNMJUCQDZXOELE-UHFFFAOYSA-N 406.504 3.197 0 40 HGAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CSc1nncn1-c1ccccc1F 8133502 ONPBTFFJJKDTRB-ZDUSSCGKSA-N 411.462 3.262 0 40 HGAB Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)CN1C(=O)CCOc2ccccc21 8388799 SYMKKCRSSLIBFK-UHFFFAOYSA-N 418.497 3.263 0 40 HGAB O=C(Cn1nnc(COc2ccccc2)n1)N1CCC[C@H]1c1nc2ccccc2s1 8855776 IBXGKHKGMCUCFC-KRWDZBQOSA-N 420.498 3.226 0 40 HGAB COc1ccc(C)cc1S(=O)(=O)N1CCC(C(=O)Nc2cccc(C)c2)CC1 9225855 HKKULNXLUIICOH-UHFFFAOYSA-N 402.516 3.351 0 40 HGAB COc1ccc(C(=O)COC(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)cc1 9641440 DJXHIECNWFCAOL-UHFFFAOYSA-N 419.389 3.124 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3c(C)cccc3C)C2)cc1 9974211 LFFGWUQLHWVGPU-QGZVFWFLSA-N 402.516 3.351 0 40 HGAB Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(-c3ccccc3)cc(C(=O)N3CCCC3)c12 11696082 MGNQHLVZZGLYDJ-KRWDZBQOSA-N 424.526 3.002 0 40 HGAB CC[C@@H](C(=O)N1CCC2(CC1)CNC(=O)c1ccc(OC)cc1O2)c1ccccc1 12225955 SYKMBZVWGOSPDO-LJQANCHMSA-N 408.498 3.372 0 40 HGAB CN(Cc1ccc(OC(F)F)cc1)C(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O 12691892 HMTHEYMIDXHSQB-UHFFFAOYSA-N 424.469 3.272 0 40 HGAB COc1cc(C)c(NC(=O)c2ccccc2S(=O)(=O)N2CCCCC2)cc1OC 12807809 VXADXSGWJFEQGD-UHFFFAOYSA-N 418.515 3.439 0 40 HGAB CCCNC(=O)CSc1nnc(SCC(=O)N[C@@H](C)c2ccccc2C)s1 12867928 NAJOFHNAWMJQSB-ZDUSSCGKSA-N 424.617 3.434 0 40 HGAB CSc1cccc(N2C[C@@H](C(=O)O[C@@H](C(=O)NC3CC3)c3ccccc3)CC2=O)c1 12943387 HNUPMLIFGFBNEV-HRAATJIYSA-N 424.522 3.325 0 40 HGAB CCOC(=O)/C=C/c1ccc(NC(=O)[C@H]2CC(=O)N(CCc3ccccc3)C2)cc1 13001433 CAGMIPFZTBEAOT-YPNIWSFNSA-N 406.482 3.293 0 40 HGAB COc1ccc(F)cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(F)cc2)C1 13580647 FLHGLJUUTFYUPR-ZDUSSCGKSA-N 410.442 3.013 0 40 HGAB O=C(COc1ccc2nc3n(c(=O)c2c1)CCC3)NCc1ccc(Cl)cc1Cl 13720028 LEDGNHOXOFKUBS-UHFFFAOYSA-N 418.280 3.345 0 40 HGAB COc1cc(C(=O)CSc2nnc(-c3ccoc3C)n2C)cc(OC)c1OC 14110994 SXQBMTDYFKWEOH-UHFFFAOYSA-N 403.460 3.384 0 40 HGAB O=C(COc1ccc(C2SCCCS2)cc1)NCc1nnc2ccccn12 14185727 UVJLCSUYPVNCKV-UHFFFAOYSA-N 400.529 3.293 0 40 HGAB O=C1N[C@@]2(CCCc3sccc32)C(=O)N1C[C@@H](O)COCc1ccccc1Cl 14188235 YOXJLNBKATXQDU-JLTOFOAXSA-N 420.918 3.063 0 40 HGAB CCN1CCN(c2ccc(NC(=O)CCCn3c(=O)oc4ccccc43)cc2C)CC1 16299967 PLEAOUBZZHMCIW-UHFFFAOYSA-N 422.529 3.464 0 40 HGAB CCCS(=O)(=O)N1CCCc2ccc(NC(=O)COc3cccc(OC)c3)cc21 17286474 UZSIBOAQHDIGIK-UHFFFAOYSA-N 418.515 3.205 0 40 HGAB C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)c1ccc(F)cc1 17916080 SDVKHETWVXZBQD-CQSZACIVSA-N 408.470 3.243 0 40 HGAB COc1cc(CN2CCC([C@H](NC(C)=O)c3ccccn3)CC2)cc(OC)c1OC 19020449 CSMLIAZRSCHTNI-QFIPXVFZSA-N 413.518 3.197 0 40 HGAB COc1cccc(-c2cc(-c3cccnc3)nn2CCNC(=O)c2cnc(C)cn2)c1 19238999 BARBZZXXFHZTHE-UHFFFAOYSA-N 414.469 3.149 0 40 HGAB CC[C@H](Oc1ccccc1F)C(=O)N1CC[C@@H](c2cc(=O)[nH]c(-c3ccccn3)n2)C1 19499347 HQYIRPDQUAHCLB-BEFAXECRSA-N 422.460 3.145 0 40 HGAB CCCn1nc(C)c(CN2CCC[C@@H](c3cc(=O)[nH]c(N4CCCCC4)n3)C2)c1C 19525843 CEADHEHUARNUGH-LJQANCHMSA-N 412.582 3.363 0 40 HGAB COc1cccc(CNC(=O)CN2C(=O)N3CCCN=C3c3ccc(Cl)cc32)c1 19565551 AVXVLJZYVBJHAE-UHFFFAOYSA-N 412.877 3.057 0 40 HGAB CNC(=O)[C@]1(Cc2ccccc2-c2cccs2)CCCN(C(=O)c2cc[nH]n2)C1 19591173 VKXCGZMSYJQFFA-QFIPXVFZSA-N 408.527 3.349 0 40 HGAB CCOc1c(Cl)cc(/C=C/C(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)cc1OC 19620175 FOAIRMIGMGDLMS-SOFGYWHQSA-N 424.906 3.355 0 40 HGAB O=C(CN1CCN(c2nc3ccccc3s2)CC1)Nc1ccnn1C1CCCC1 19659263 XNAODFZQXWZILD-UHFFFAOYSA-N 410.547 3.369 0 40 HGAB CNc1nc([C@H]2CCCCN2C(=O)CCC2CCCC2)nc2c1CCN(C(C)=O)C2 19708468 LPBLQOUBAONROU-HXUWFJFHSA-N 413.566 3.447 0 40 HGAB CC(C)c1ccc(OC[C@@H](O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 19809735 GSTPRBGSQIQSDD-NRFANRHFSA-N 412.530 3.096 0 40 HGAB Cc1ccc(NC(=O)N[C@H]2C[C@@H](c3nc(-c4ccc5c(c4)OCO5)no3)N(C)C2)cc1 20464417 DGTXWQPKGPETIN-IRXDYDNUSA-N 421.457 3.341 0 40 HGAB biogenic,in-vitro COc1ccc(S[C@H](C)C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 20489693 GMQPIQZJQGYZAE-MRXNPFEDSA-N 414.527 3.249 0 40 HGAB CS(=O)(=O)N1C[C@H](C(=O)N[C@@H]2CCCc3ccccc32)Oc2ccc(Cl)cc21 20493930 GQIUBHDVAPYQJN-VQIMIIECSA-N 420.918 3.061 0 40 HGAB COc1ccc(OCC(=O)Nc2ccc(N3CCOCC3)c(Br)c2)cc1 20611645 IEEMGJYFVYSDGW-UHFFFAOYSA-N 421.291 3.312 0 40 HGAB COc1ccc(-c2nc3n(n2)[C@H](CC(=O)Nc2cc(Cl)ccc2C)C(=O)N3)cc1 20724076 CKWOLQCDEPSEGA-MRXNPFEDSA-N 411.849 3.438 0 40 HGAB Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)OC(=O)Cc1c[nH]c2ccccc12 21330898 WFTPWSHHMUQXGH-MRXNPFEDSA-N 407.470 3.014 0 40 HGAB COc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](C)c2cc(C)c(C)cc2C)cc1 22536017 HMXPUAYFLLZXFQ-KRWDZBQOSA-N 404.532 3.118 0 40 HGAB Cc1cc(NC(=O)c2ccco2)sc1C(=O)NCc1cccnc1-n1cccn1 24590442 HPVQVUXURWZVFJ-UHFFFAOYSA-N 407.455 3.413 0 40 HGAB COc1ccc2c(c1)CCCN2C(=O)c1ccc(Cl)c(S(=O)(=O)NC2CC2)c1 27065246 LLRURXMYSNXIGO-UHFFFAOYSA-N 420.918 3.382 0 40 HGAB COC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2ccccc2CN2CCCC2)c1 27963019 AQXKEPDXKOEFAI-UHFFFAOYSA-N 422.934 3.201 0 40 HGAB CCOc1ccc(OCC)c(NC(=O)CN2C(=O)NC3(C2=O)[C@H](C)CCC[C@H]3C)c1 32909187 IPFUHYIMMWYIRA-HUUCEWRRSA-N 417.506 3.169 0 40 HGAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(C)c3)c(=O)n2[C@H]1c1cccs1 33396969 FZTWRHMZDUZTFG-GTVARFKMSA-N 424.547 3.168 0 40 HGAB Cc1ccc(C(=O)[C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]3[C@H]3CCCN23)cc1 35361704 MQFONYWUEWYXHW-ZRNYENFQSA-N 408.885 3.484 0 40 HGAB Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccncc2)c2cccc(C)c2)cc1 44792662 DFEILBPPLNCVJB-UHFFFAOYSA-N 409.511 3.210 0 40 HGAB COc1ccc(S[C@H](C)C(=O)N2CCC(C(=O)Nc3cc(C)on3)CC2)cc1 48366089 SFUKMWPREVCARB-CQSZACIVSA-N 403.504 3.350 0 40 HGAB O=C(Cn1cccc(-c2nc(-c3ccc(F)cc3)no2)c1=O)NCc1cccs1 49002489 OXPDMSKJTVGYKJ-UHFFFAOYSA-N 410.430 3.082 0 40 HGAB Cc1cc(C)cc(NC(=O)Cn2nc(N3CCSCC3)c3ccccc3c2=O)c1 49007234 ZUPQXZRSBZTOFC-UHFFFAOYSA-N 408.527 3.205 0 40 HGAB O=C(c1cc(-c2cccc(Cl)c2)[nH]n1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 57413341 KRLDAUDVPGGXMW-UHFFFAOYSA-N 424.888 3.417 0 40 HGAB CCc1cc(=O)n(CC(=O)Nc2cc(OC)cc(OC)c2)c(-c2ccc(F)cc2)n1 57508705 YRNIRLYLSIEHNQ-UHFFFAOYSA-N 411.433 3.268 0 40 HGAB CCCCOc1ccc(-c2[nH]ncc2C(=O)N2CCN(C(=O)c3ccco3)CC2)cc1 71011204 IBONXYRFBVVLGA-UHFFFAOYSA-N 422.485 3.447 0 40 HGAB Cc1nc([C@@H]2CCCN2C(=O)C(C)(C)O)nc2c1CCC(=O)N2CC1CCCCC1 72371113 YLHUVEOZBGYBRG-SFHVURJKSA-N 414.550 3.079 0 40 HGAB Cc1cc(O)cc(=O)n1[C@@H](C)C(=O)N[C@@H](c1ccccc1)c1nc2ccccc2n1C 79056529 YJAOABVOGUSBBE-AOMKIAJQSA-N 416.481 3.216 0 40 HGAB COc1ccc(/C=C/C(=O)N2CCOC[C@H]2C[C@H](O)c2cccs2)cc1OC 79057233 VBZFHVYJVDAWDK-WRBKUFGZSA-N 403.500 3.130 0 40 HGAB COC(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N(Cc2ccco2)C12CCCCC2 79489828 LJYYMHWXZZPRPA-HXUWFJFHSA-N 410.470 3.011 0 40 HGAB CSc1cccc(NC(=O)[C@H](C)NC(=O)N2CCN(Cc3ccccc3)CC2)c1 79490460 PQXOHICQHKFFOD-KRWDZBQOSA-N 412.559 3.263 0 40 HGAB O=C(NCc1cccc(Cl)c1)c1cccc(N2NC(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 84367776 VBPCUARSTJADDL-OALUTQOASA-N 409.873 3.230 0 40 HGAB CCN1C[C@H]2C3(CCN(C(=O)c4cccc(Cl)c4)CC3)CC[C@@]2(C(=O)NC)C1 96262441 XUWGXGFNANBZJC-PGRDOPGGSA-N 403.954 3.040 0 40 HGAB O=Cc1ccc(OC(=O)c2cccc(N3C(=O)[C@H]4[C@@H]5C=C[C@H]([C@H]6C[C@H]56)[C@@H]4C3=O)c2)cc1 102076010 JWJJTGFXWHTUPP-VXAPCQRLSA-N 413.429 3.276 0 40 HGAB CCOc1cccc(NC(=O)CCCN(c2ccc(OC)cc2)S(C)(=O)=O)c1 113962468 GURGSPLVBLEZJF-UHFFFAOYSA-N 406.504 3.279 0 40 HGAB CC(C)OC(=O)CN1C(=O)S/C(=C/c2ccc(O)c(Br)c2)C1=O 205712636 VXKHKOFLFHVUQH-WUXMJOGZSA-N 400.250 3.143 0 40 HGAB CCOc1cccc(NC(=O)[C@@H](CC)N(c2cccc(OC)c2)S(C)(=O)=O)c1 220627929 PXSNIDLAPZMNMX-LJQANCHMSA-N 406.504 3.277 0 40 HGAB COc1ccc(-c2noc(CN(C)C(=O)COc3ccc(C)cc3C)n2)c(OC)c1 222830829 SMPWVACEAXOVNR-UHFFFAOYSA-N 411.458 3.408 0 40 HGAB CCCN1C(C)=NS(=O)(=O)c2cc(C(=O)Nc3ccc4c(c3)OCCO4)ccc21 223113061 JBDOPMGUNWKXAD-UHFFFAOYSA-N 415.471 3.047 0 40 HGAB COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)N[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1OC 223693438 SEVVNTCANDCEPN-GXRAPOFBSA-N 410.470 3.373 0 40 HGAB Cc1ccc(N([C@@H](C)C(=O)NCCOc2ccc(Cl)cc2)S(C)(=O)=O)cc1C 223890675 YIBJDYZCXOMAFF-INIZCTEOSA-N 424.950 3.307 0 40 HGAB CS(=O)(=O)N(CCCC(=O)NCCOCc1ccccc1)c1cccc(Cl)c1 224630734 HQVHNJOSDFAXJO-UHFFFAOYSA-N 424.950 3.219 0 40 HGAB COCCNC(=S)Nc1nc(N2CCCCCC2)cc(N2CCC(C)CC2)n1 225898284 YXCQHZPEYQZUEN-UHFFFAOYSA-N 406.600 3.026 0 40 HGAB CCOC(=O)COc1ccc(NC(=O)C2(C)COC(c3cccs3)OC2)cc1 225921559 KMRJDKXDGYKKQL-UHFFFAOYSA-N 405.472 3.380 0 40 HGAB Cc1cc(=O)[nH]c(-c2cccc(NC(=O)c3cn4c5c(cccc5c3=O)C[C@@H]4C)c2)n1 226093948 CCOBRIVLUDQTCU-AWEZNQCLSA-N 412.449 3.430 0 40 HGAB CNc1cc(C2CCN(C(=O)[C@H]3CC[C@H](OC)CC3)CC2)nc(-c2cccnc2)n1 257306827 SWCWPMUGFVFMLR-UAPYVXQJSA-N 409.534 3.492 0 40 HGAB CC(C)CN1CC[C@@]2(C1)CN(Cc1ccccc1)S(=O)(=O)c1ccccc1O2 306125353 CNHWYZPEIGWNMZ-JOCHJYFZSA-N 400.544 3.370 0 40 HGAB Cc1cccc(CN2CCC3(CC2)CN(C)C(=O)c2cn(-c4ccccc4)nc23)n1 306140722 VBZPPOKQISMDKY-UHFFFAOYSA-N 401.514 3.195 0 40 HGAB CCc1ccc(CN2C[C@@H](c3cn(C(C)C)cn3)[C@]3(CCN(CCOC)C3=O)C2)cc1 306143079 XSRUACVSRXWUKU-DHLKQENFSA-N 424.589 3.491 0 40 HGAB CCN(CC)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)cc1 408587481 CUNWEWMDMRDLSZ-UHFFFAOYSA-N 405.476 3.132 0 40 HGAB COc1ccccc1CNC(=O)c1ccccc1NC(=O)C(=O)N[C@@H]1CCCC[C@@H]1C 408710194 RQXDWEALRZYJNJ-QFBILLFUSA-N 423.513 3.259 0 40 HGAB O=C(N[C@@H]1C(=O)N/[N+](=C\c2ccc(F)cc2)[C@H]1c1ccc(Cl)cc1)c1ccccc1 409054752 BHBCFOGLJUCSFE-ZCEBDVNOSA-O 422.867 3.495 0 40 HGAB Cc1nn(-c2ccccc2F)c(C)c1[C@H]1COCCN1C(=O)NCC1=CCCOC1 513193906 JJLJGSKHUZFWHO-HXUWFJFHSA-N 414.481 3.058 0 40 HGAB Cc1ccc(NC(=O)c2ccc3c(c2)OCCO3)cc1S(=O)(=O)NC(C)(C)C 523496356 RXBLBSSFSBJRHN-UHFFFAOYSA-N 404.488 3.095 0 40 HGAB CN(C)CC(=O)N1CCC[C@]2(CCCCCOc3ccc(Cl)cc3C(=O)NC2)C1 643559254 SLCADQOGCDIVLB-QFIPXVFZSA-N 421.969 3.193 0 40 HGAB CNc1cncc([C@@H]2CCCN2C(=O)C2(Cc3ccccc3F)CCN(C)CC2)n1 1848357099 PKCJGBNYMDGKPN-FQEVSTJZSA-N 411.525 3.276 0 40 HGAB CC(C)C(=O)Nc1ccc(NC(=O)c2ccc3c(c2)C[C@@H](C)N3S(C)(=O)=O)cc1 11717881 MZISYAITDFGVTM-CQSZACIVSA-N 415.515 3.244 0 40 HGAB C[C@@H]1CCCC[C@@H]1NC(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 11776904 NLAIUKQSPTZQFY-OCCSQVGLSA-N 410.444 3.054 0 40 HGAB CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3C)=C(C)Nc3nnnn32)cc1OC 954704 GVGUEJMBHOJXFB-FQEVSTJZSA-N 420.473 3.316 0 40 HGAB COc1ccc(-c2cc(-c3cc(-c4ccc(OC)cc4)nc(N)n3)nc(N)n2)cc1 1588363 XOYXFICOYFQYOE-UHFFFAOYSA-N 400.442 3.449 0 40 HGAB CC(C)C[C@H](NC(=O)N(C)CCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)N(C)C 52549759 JXVWMBXIAZIWIS-FQEVSTJZSA-N 417.529 3.293 0 40 HGAB COc1ccc(OCCCC(=O)O[C@H](C)C(=O)Nc2ccc(NC(C)=O)cc2)cc1 4242941 ASSMFCRFNBJIKA-OAHLLOKOSA-N 414.458 3.383 0 40 HGAB COc1ccc([C@@H]2CC(=O)N(c3cccc(F)c3)C3=C2C(=O)OC3)c(OC)c1OC 4944698 FMNCPEFMCFKCIL-HNNXBMFYSA-N 413.401 3.183 0 40 HGAB Cc1cccc(-n2c(SCC(=O)NC[C@H]3CCCO3)nc3ccccc3c2=O)c1C 7743432 SQKIMUDDNQVGOT-QGZVFWFLSA-N 423.538 3.390 0 40 HGAB CCCCc1ccc(N2C(=O)C[C@H](N3CCN(c4ccc(O)cc4)CC3)C2=O)cc1 21816771 ALNSEBOCLOSAAB-QFIPXVFZSA-N 407.514 3.189 0 40 HGAB C[C@H](Sc1n[nH]c(=O)n1CCc1ccccc1)C(=O)N[C@H](C)CCc1ccccc1 10414284 BOECYPVZLIVGIN-MSOLQXFVSA-N 424.570 3.432 0 40 HGAB COc1ccc(Cl)cc1N([C@H](C)C(=O)N1c2ccccc2C[C@H]1C)S(C)(=O)=O 10449898 WMUDGFLWUYPYIS-ZIAGYGMSSA-N 422.934 3.481 0 40 HGAB CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)c1cccc(-n2cccc2)c1 8170975 GYKBFEUDNQNJJR-UHFFFAOYSA-N 418.497 3.025 0 40 HGAB C[C@@]1(CCc2ccccc2)NC(=O)N(CC(=O)Nc2ccccc2N2CCCC2)C1=O 8707678 PWEOZKKOCHKJNV-DEOSSOPVSA-N 420.513 3.169 0 40 HGAB COCC(=O)Nc1c[nH]nc1[C@@H]1CCCN(Cc2ncc(-c3ccccc3C)o2)C1 96000129 IVYGFYSDJZVCNP-MRXNPFEDSA-N 409.490 3.338 0 40 HGAB CC(C)CCNC(=O)[C@]12CCC(=O)N1c1ccccc1C(=O)N2Cc1ccccc1 19678104 MVEITYYUDGZWOG-DEOSSOPVSA-N 405.498 3.328 0 40 HGAB O=S(=O)(c1cc2c(cc1Br)OCCO2)N1CCc2sccc2C1 60908730 VBBRYSDEZBYFIY-UHFFFAOYSA-N 416.318 3.029 0 40 HGAB O=C(CCc1ncc(-c2ccccc2)o1)NC[C@@H]1CN(Cc2ccccc2)CCO1 22687484 XBRIGDRJNCRQFE-OAQYLSRUSA-N 405.498 3.291 0 40 HGAB CN(C)S(=O)(=O)N(CC(=O)Nc1cc(Cl)cc(Cl)c1)c1ccc(F)cc1 9694873 NDHNPZBKOLRRSZ-UHFFFAOYSA-N 420.293 3.384 0 40 HGAB NC(=O)[C@@H]1Cc2ccccc2CN1Cc1nc(-c2cccc(C(F)(F)F)c2)no1 23078217 QCBOFUKPJXAHFL-INIZCTEOSA-N 402.376 3.168 0 40 HGAB CCOCCCn1c(CC(=O)N2CCOCC2)cs/c1=N\c1ccc(Cl)cc1 102443141 YTFWIDRCVWVXAZ-XDOYNYLZSA-N 423.966 3.263 0 40 HGAB Cc1ccc(S(=O)(=O)N(CC(=O)N(C)C)c2cccc(C(F)(F)F)c2)cc1 22276762 WUGPMDPZUNZUCP-UHFFFAOYSA-N 400.422 3.297 0 40 HGAB O=C(Cc1csc(NC(=O)c2ccco2)n1)NC[C@@H](c1ccccc1)N1CCCC1 23739127 YUBRGSPLIQSBGR-SFHVURJKSA-N 424.526 3.484 0 40 HGAB O=C(Cn1c(=O)oc2ccccc21)N1CCN(Cc2cccc3ccccc23)CC1 24316817 VKMUGNYHSTYPMT-UHFFFAOYSA-N 401.466 3.092 0 40 HGAB O=C([C@H]1CC(=O)N(c2cccc(Cl)c2)C1)N1CCC[C@H](c2nnc3ccccn23)C1 24457770 STWDHILRIKMIMZ-HOTGVXAUSA-N 423.904 3.142 0 40 HGAB CC(C)(C)c1ccc(C(=O)NC(=S)N2C[C@@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1 100746850 NOPQEASANCFPLL-RDJZCZTQSA-N 409.555 3.280 0 40 HGAB O=C(Cc1csc2nc(-c3ccc(F)cc3)cn12)NCc1nnc2ccccn12 12535866 OZQNJIDZCCRHMN-UHFFFAOYSA-N 406.446 3.104 0 40 HGAB Cc1ccc(CCC2CCN(C(=O)c3ccc(C)c(S(N)(=O)=O)c3)CC2)cc1 72296381 NBKJWFYAMGDAJU-UHFFFAOYSA-N 400.544 3.436 0 40 HGAB CCN(CC(=O)Nc1ccccc1OC)C(=O)c1cccc(Nc2ncccn2)c1 24974228 CNTDQDUHXGXFQQ-UHFFFAOYSA-N 405.458 3.330 0 40 HGAB O=C(c1cn(-c2ccccc2)nc1-c1cccs1)N1CCN(c2ncccn2)CC1 3264508 OGZVBJWJWQZMOA-UHFFFAOYSA-N 416.510 3.353 0 40 HGAB COc1ccc(-c2ncc(CN3C[C@@H]4CCC[C@@H](C3)C4(O)c3nccn3C)cn2)cc1 100150124 UMOMKFSCMBIINW-PMACEKPBSA-N 419.529 3.005 0 40 HGAB O=C(Nc1cccc(N2CCOC2=O)c1)N[C@H](Cc1ccccc1)[C@H](O)C(F)F 58345557 SJFVZAPIUOGPKU-SJORKVTESA-N 405.401 3.002 0 40 HGAB Cc1ccccc1C(=O)N1CCC(C(=O)NCC(=O)Nc2cccc(C)c2C)CC1 12782402 SKWMEWUOOOTPHR-UHFFFAOYSA-N 407.514 3.219 0 40 HGAB CCn1c(SCc2noc(-c3ccccc3Cl)n2)nnc1N1CCOCC1 12897078 PJAHJYPVSXGSNU-UHFFFAOYSA-N 406.899 3.130 0 40 HGAB CN(C)C(=O)CSc1ccccc1C(=O)OCC(=O)Nc1cc(Cl)ccc1F 12947235 WYZGNNXIWNSLAY-UHFFFAOYSA-N 424.881 3.455 0 40 HGAB CC(=O)N1CCc2cc(C(=O)[C@H](C)OC(=O)c3ccc(N4CCCC4=O)cc3)ccc21 13000813 MLKUGIRPOXNKMO-HNNXBMFYSA-N 420.465 3.151 0 40 HGAB CCOC(=O)CSc1nnc(NC(=O)c2ccccc2Br)s1 6046831 RULQGBMKUNTZHE-UHFFFAOYSA-N 402.295 3.208 0 40 HGAB CCOc1ccc(OCC(=O)OCC(=O)Nc2c(C)nn(-c3ccccc3)c2C)cc1 5287391 JCTZVLZNURUVTB-UHFFFAOYSA-N 423.469 3.449 0 40 HGAB O=C1OC(c2ccc3c(c2)OCO3)=N/C1=C\c1cccc(NC(=O)C(F)(F)F)c1 14176529 BTOPQORGJIXSFT-QPEQYQDCSA-N 404.300 3.261 0 40 HGAB Cc1ccc(NC(=O)CNc2cccc3c2CCCC3)cc1S(=O)(=O)N(C)C 9220511 YPCRYWLWOYSRJX-UHFFFAOYSA-N 401.532 3.175 0 40 HGAB COc1ccc(-c2noc(CN(C3CC3)S(=O)(=O)c3ccccc3)n2)c(OC)c1 6760498 AFQHIBQVVWZGGP-UHFFFAOYSA-N 415.471 3.107 0 40 HGAB CCCNc1sc(S(=O)(=O)CC)nc1S(=O)(=O)c1ccc(Cl)cc1 6751884 VXSXXNPETVRFPA-UHFFFAOYSA-N 408.954 3.245 0 40 HGAB CN1CCN(c2ccc(NC(=O)c3ccc(CSc4nnc[nH]4)cc3)cc2)CC1 6820692 PJVGCFFELFIJKM-UHFFFAOYSA-N 408.531 3.101 0 40 HGAB COc1ccc([C@@H]2C(C(=O)OCc3ccccc3)=C(C)Nc3ncnn32)c(OC)c1 4934912 YUQXHZDGNRUPJI-HXUWFJFHSA-N 406.442 3.328 0 40 HGAB COC(=O)C1=C(CN2CC=C(c3ccccc3)CC2)NC(=O)N[C@H]1c1ccc(F)cc1 67204821 OFWBXOYDNXODDX-QFIPXVFZSA-N 421.472 3.396 0 40 HGAB COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)CN1CCN(Cc2ccccc2)CC1 19371862 MQZVLJRSTPUSNR-UHFFFAOYSA-N 420.513 3.019 0 40 HGAB CCc1ccc(-n2c(SCC(=O)NCCCOC)nnc2-c2ccncc2)cc1 409218937 YQYBXSAWQUEMRG-UHFFFAOYSA-N 411.531 3.137 0 40 HGAB CN(Cc1ccccc1N1CCOCC1)C(=O)/C=C/c1ccc2c(c1)OCCCO2 8186720 QOSWDYYBBZCGQO-CSKARUKUSA-N 408.498 3.356 0 40 HGAB COc1cccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccc(C)cc3)[C@@H]2c2ccccc2)c1 409056024 DOWRTWURRWOJRY-LIFFMEMSSA-O 414.485 3.020 0 40 HGAB CCOC(=O)c1ccc2c(c1)nc(S[C@H](C)C(=O)NC[C@@H]1CCCO1)n2CC 8394234 ACJOROOCLGTNDV-HIFRSBDPSA-N 405.520 3.009 0 40 HGAB CCOC(=O)C1=C(COC(=O)c2cccs2)NC(=O)N[C@@H]1c1ccc(Cl)cc1 9498033 GMTQEHJUOMZGAU-MRXNPFEDSA-N 420.874 3.430 0 40 HGAB Cc1cc(O)cc(=O)n1[C@H](C)C(=O)N[C@@H](c1ccccc1)c1nc2ccccc2n1C 79056533 YJAOABVOGUSBBE-ZHRRBRCNSA-N 416.481 3.216 0 40 HGAB CCCCOCCN(c1cccc(Br)c1)S(=O)(=O)c1cnn(C)c1 79047672 WLTWIHDUIVPJSK-UHFFFAOYSA-N 416.341 3.195 0 40 HGAB Cc1ccc(NC(=O)c2ccc3nnc([C@@H]4CCN(C(=O)N(C)C)C4)n3c2)c(C)c1 63527516 YQPNVWKRNIDVLI-MRXNPFEDSA-N 406.490 3.069 0 40 HGAB COc1ccc(OC)c(NC(=O)CNC(=O)c2ccc(COc3ccccc3)o2)c1 408561552 JMPXVSOONVVAAX-UHFFFAOYSA-N 410.426 3.244 0 40 HGAB Cc1nn(COc2ccc(F)cc2F)c(C)c1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)O 32610393 VXORVLAZXAUUGN-CABCVRRESA-N 405.401 3.420 0 40 HGAB COc1c2c(c(NC(=O)COc3ccccc3Cl)c3c1OCO3)CCN(C)C2 32124380 UFRIHBVQRHNOBH-UHFFFAOYSA-N 404.850 3.083 0 40 HGAB biogenic COC(=O)[C@H](NC(=O)c1ccc(C)cc1)c1nnc(Nc2ccc(OC)cc2)s1 35681772 WFHXACZZRRDXMJ-MRXNPFEDSA-N 412.471 3.243 0 40 HGAB CN(C)S(=O)(=O)c1ccc(CNC(=O)Nc2cccc(Br)c2)cc1 47688505 PFSXDAXNGARHLY-UHFFFAOYSA-N 412.309 3.021 0 40 HGAB COc1cccc(N([C@H](C)C(=O)Nc2ccc(OC)c(Cl)c2)S(C)(=O)=O)c1 220164812 HKGNOTFOVWYCSX-GFCCVEGCSA-N 412.895 3.150 0 40 HGAB COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NCc2ccccn2)cc1OC 225414982 BDKZNVWADWQWDW-AQTBWJFISA-N 423.494 3.248 0 40 HGAB CCOC(=O)CN(c1ccc(F)c(F)c1)S(=O)(=O)c1ccc(OC)c(Cl)c1 224966015 SIBNTUACRGWWQH-UHFFFAOYSA-N 419.833 3.385 0 40 HGAB COc1ccc([C@H](C)NC(=O)CN(c2cccc(SC)c2)S(C)(=O)=O)cc1 220073509 XHZBPMHTLADRMW-AWEZNQCLSA-N 408.545 3.061 0 40 HGAB C=CC(=O)Nc1cccc(C(=O)N2CCN(C(=O)C(F)(F)F)C3(CCCCC3)C2)c1 1583199471 WOWIKVLSHBTUBP-UHFFFAOYSA-N 423.435 3.361 0 40 HGAB CN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)Nc1ccc(OC(F)(F)F)cc1 40286673 SEGYJINVIXCXNV-IBGZPJMESA-N 419.359 3.133 0 40 HGAB CN(C(=O)CN(C)S(=O)(=O)c1cc(Cl)ccc1Cl)c1ccc(F)cc1 226036178 PWXXAOSVCWRTHM-UHFFFAOYSA-N 405.278 3.416 0 40 HGAB COC(=O)c1cn(C(=O)[C@H](C)N(c2ccccc2F)S(C)(=O)=O)c2ccccc12 222632194 SOWMJZLBTDUVAF-ZDUSSCGKSA-N 418.446 3.062 0 40 HGAB CCOC(=O)c1ccc(C)c(NC(=O)[C@@H](C)N(c2cccc(C)c2)S(C)(=O)=O)c1 220143287 CXMOYMODWNTVIB-MRXNPFEDSA-N 418.515 3.273 0 40 HGAB O=C(c1ccncc1)N1CC[C@]2(C1)c1ccccc1S(=O)(=O)N2Cc1ccccc1 96261903 HZMUAVMMRMJPOF-QHCPKHFHSA-N 419.506 3.028 0 40 HGAB O=C(NCc1cccc(F)c1)N1CCC2(CC1)COCCN(Cc1ccncc1)C2 96239950 BJKYFHYCPIEBFH-UHFFFAOYSA-N 412.509 3.045 0 40 HGAB NS(=O)(=O)c1cc(C(=O)Nc2ccc(Br)cc2)c(F)cc1Cl 98073093 LPCPVYNTMGXBNN-UHFFFAOYSA-N 407.648 3.141 0 40 HGAB CCC(CC)C(=O)N1CC[C@@H](c2nc(C)c(CC(=O)NC3CCCC3)c(C)n2)C1 257264738 LVVUIAUHLUWMSY-GOSISDBHSA-N 400.567 3.447 0 40 HGAB O=c1c(=Cc2ccc(Br)cc2)sc2nc(-c3ccc(F)cc3)nn12 252679245 JWTCPJAFVCKSSR-UHFFFAOYSA-N 402.248 3.267 0 40 HGAB Cc1cc(C(=O)N2CCC[C@@](COc3ccc(Cl)c(C)c3)(CC(N)=O)C2)no1 257331894 XUSPVCKRCCJMAB-HXUWFJFHSA-N 405.882 3.122 0 40 HGAB CO[C@@H]1CN(CC(=O)Nc2ncc(Cc3ccccc3F)s2)CC[C@]12CCCO2 257202174 AKTIOZUGYUPCOF-WIYYLYMNSA-N 419.522 3.081 0 40 HGAB COC(=O)C1CCN(C(=O)C2(Cc3ccc(-c4ccncc4)cc3)CCOCC2)CC1 257218846 DEOXEXODQTXHNM-UHFFFAOYSA-N 422.525 3.500 0 40 HGAB CC(=O)N1[C@@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)Cn1ccnc1 257259994 LAYASQPMZSIEKO-LYVDORBWSA-N 420.557 3.275 0 40 HGAB Cc1nc(-c2cccs2)sc1CNC(=O)C[C@H]1CSc2nccc(=O)n21 96342612 NDJLDZQWOXOIMP-NSHDSACASA-N 404.542 3.090 0 40 HGAB Cc1cncc(CO[C@H]2CCOC3(C2)CN(C(=O)Cc2ccc4c(c2)CCCO4)C3)c1 575404021 LGGCPBWJNZCLDH-QFIPXVFZSA-N 422.525 3.234 0 40 HGAB C[C@]1(O)CCN(C(=O)COc2ccc(F)c(Cl)c2)C[C@@H]1Oc1cccc(F)c1 585262214 CSHJEWVHGWSNQB-ICSRJNTNSA-N 411.832 3.428 0 40 HGAB Cc1cc(CN2CCC[C@@]3(CCCN3C(=O)COc3ccccc3C)CC2)n(C)n1 585100113 FVJDDEWACKOBFN-XMMPIXPASA-N 410.562 3.463 0 40 HGAB CCOC(=O)COc1cccc(C(=O)Nc2cccc(CN3CCCCC3=O)c2)c1 50473521 CQGKEDVNAFEHQX-UHFFFAOYSA-N 410.470 3.393 0 40 HGAB C[C]1COCCN1c1cc(C2(S(C)(=O)=O)CC2)nc(-c2cccc3[nH]ccc23)n1 1560408765 PPLLANLQNVUEMB-UHFFFAOYSA-N 411.507 3.047 0 40 HGAB Cc1cc(C)c(OCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)c(C)c1 12911693 UGZWIDOJJWLVTO-UHFFFAOYSA-N 402.516 3.414 0 40 HGAB Cc1ccc2c(CC(=O)N3CC[C@H](c4nnc(-c5cnc(C)cn5)o4)C3)coc2c1 19221602 SFGDOPJHYHMUDC-HNNXBMFYSA-N 403.442 3.448 0 40 HGAB CCN(CC)c1ncc(CN2CCC[C@@H]2c2nc(-c3ccccn3)cc(=O)[nH]2)s1 19526518 JPCGJWRSPYGNBK-GOSISDBHSA-N 410.547 3.472 0 40 HGAB Cc1ccc(N2C[C@H](C(=O)Nc3nc(-c4cn(C)nc4C)cs3)CC2=O)c(C)c1 19714981 QKMVEARVPZJWPP-OAHLLOKOSA-N 409.515 3.460 0 40 HGAB Cc1cnc(C(=O)N2CCCC[C@H]2c2nc(C)c3c(n2)N(CC(C)C)C(=O)CC3)cn1 19740979 FGJKONXNMYRBQX-IBGZPJMESA-N 422.533 3.186 0 40 HGAB Cc1cc(C)cc(N(CC(=O)NC(C)C)C(=O)CCC(=O)Nc2nccs2)c1 4848334 LOZUOMFSIRTCQT-UHFFFAOYSA-N 402.520 3.036 0 40 HGAB Cc1cccc(C(=O)N2CCCCN(C)C(=O)c3cc(Cl)ccc3OCC2)n1 643556095 FCYVCVMGNDUELK-UHFFFAOYSA-N 401.894 3.430 0 40 HGAB CCN1CCN(Cc2cccn2-c2cc(C)ccn2)CCOc2ccccc2CC1=O 643568730 AWKYUUDCOXQAPQ-UHFFFAOYSA-N 418.541 3.466 0 40 HGAB FC(F)(F)c1cccc(N2CCN(C3CCN(C[C@@H]4CCCCO4)CC3)CC2)n1 252490647 KYKQZGWIVCJMIX-SFHVURJKSA-N 412.500 3.256 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)[C@@H]2Cc3ccccc3S2)c1 11748787 KRCJTJFLRWDCQG-SFHVURJKSA-N 406.529 3.078 0 40 HGAB O=C(c1cccc(Oc2ccc(F)cc2)c1)N1CC(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)C1 238839232 HLPDUOWUCHUYHM-OYRHEFFESA-N 420.440 3.394 0 40 HGAB COC1CCC(Cc2cncc(Br)c2)(C(=O)NC2CCN(C)CC2)CC1 2037845906 NJTABSGTMVPHSM-UHFFFAOYSA-N 424.383 3.172 0 40 HGAB COc1ccc(OC)c(NC(=O)CSc2nncc3ccc(OC)c(OC)c23)c1 2432222 UWBRBICAACHGPT-UHFFFAOYSA-N 415.471 3.395 0 40 HGAB O=C(CCC1CCCCC1)NCCn1ncc2c(=O)n(Cc3ccccc3)cnc21 9822095 JPQDMXMACDRBOB-UHFFFAOYSA-N 407.518 3.118 0 40 HGAB COc1ccc(S(=O)(=O)Nc2nc(C(=O)NCc3ccc(C)cc3)cs2)cc1 11693238 KNYUTDAZIHJPPS-UHFFFAOYSA-N 417.512 3.191 0 40 HGAB CCOc1ccc([C@H](c2sc3nc(CC)nn3c2O)N2CCC(O)CC2)cc1 22855215 IHSLNNHCEHAJLU-QGZVFWFLSA-N 402.520 3.004 0 40 HGAB O=C(NCc1ccc(Cl)cc1)C(=O)NCC1CCN(Cc2cccs2)CC1 22999662 AUDRXNTYAIXHKO-UHFFFAOYSA-N 405.951 3.046 0 40 HGAB COCCn1/c(=N/C(=O)c2cc(OC)cc(OC)c2)sc2cc(OC)ccc21 100873132 MAMKCLYYCGQTMV-MRCUWXFGSA-N 402.472 3.116 0 40 HGAB CC(C)S(=O)(=O)c1ccc(CC(=O)NC[C@H]2CCCN2c2ccccc2)cc1 207988745 HMODVIUXVXYIPL-HXUWFJFHSA-N 400.544 3.196 0 40 HGAB Cc1nc(-n2cccc2)sc1C(=O)N1CCN(Cc2nc3ccccc3[nH]2)CC1 36705937 NOSZSDLTBPLZKO-UHFFFAOYSA-N 406.515 3.077 0 40 HGAB Cc1ccc(-c2ccc3nn(CC(=O)Nc4ccc(Cl)cc4)c(=O)n3n2)cc1C 49399286 SGROOJVSHKGLCI-UHFFFAOYSA-N 407.861 3.467 0 40 HGAB Cc1noc(C)c1CN1C(=O)N(c2cccc(F)c2)c2ncccc2S1(=O)=O 49420962 NCCFYOYKEHHXDL-UHFFFAOYSA-N 402.407 3.288 0 40 HGAB CCOc1ccc(Cc2cc([C@@H]3O[C@@H](SC)[C@@H](O)[C@H](O)[C@H]3O)ccc2Cl)cc1 584566808 QKDRXGFQVGOQKS-MJCUULBUSA-N 424.946 3.173 0 40 HGAB CCN1CCN(C(=S)SCC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 215715644 VGUWZMYMQSWZLE-UHFFFAOYSA-N 407.483 3.179 0 40 HGAB Cc1cc(C)cc(-n2c(=O)c3ccccc3n(CC(=O)N(C)c3ccccc3)c2=O)c1 51316128 LCAMILOVALZHGV-UHFFFAOYSA-N 413.477 3.432 0 40 HGAB O=C(Cn1ncn2nc(-c3ccc(F)cc3)cc2c1=O)Nc1cc(F)ccc1Cl 51316918 GQMSPIGYWBCWJR-UHFFFAOYSA-N 415.787 3.128 0 40 HGAB CCOc1ccc2nc(SCCOc3ccc(S(=O)(=O)N(C)C)cc3)[nH]c2c1 8458208 GMEZIDPORNHBNT-UHFFFAOYSA-N 421.544 3.383 0 40 HGAB O=S(=O)(Nc1cccc2c1CCCC2)c1cccc(S(=O)(=O)N2CCCC2)c1 1333232 QPXNQJZBRLRBQX-UHFFFAOYSA-N 420.556 3.151 0 40 HGAB CS(=O)(=O)NCCc1ccc(C(=O)NCC2(c3ccccc3)CCCC2)cc1 32857889 RKQPQWSCYZEILW-UHFFFAOYSA-N 400.544 3.020 0 40 HGAB CN(CC(=O)N[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C)S(=O)(=O)c1ccc(Cl)s1 102447149 PDCABSXHVPXPSL-PSTGCABASA-N 404.985 3.353 0 40 HGAB C[C@@H]([C@@H](O)c1ccccc1)N(C)C[C@H]1C(=O)O[C@@H]2CC3=CCC[C@@H](C)[C@@]3(C)[C@H](O)[C@H]12 4028672 SYTZVGPWDLPTPO-NYMVIXKVSA-N 413.558 3.325 0 40 HGAB biogenic CCOCCCNC(=O)CCc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2)cc1 6957776 MKGIRCNSOVETBD-GOSISDBHSA-N 418.559 3.202 0 40 HGAB CCOc1ccccc1NC(=O)COC(=O)[C@@H]1CC(=O)N([C@H](C)c2ccccc2)C1 7232333 YNENSLMZKFQZNK-SJLPKXTDSA-N 410.470 3.177 0 40 HGAB COCC(=O)NC[C@H]1C[C@@H]2CCN1C[C@@H]2c1cc(-c2ccc3ccccc3c2)nn1C 8635467 NGBQGXBVABXUSR-NNWRFLSQSA-N 418.541 3.181 0 40 HGAB biogenic,in-vitro CCCNC(=O)CN(CCC)C(=O)c1cc(-c2ccccc2)nc2c1c(C)nn2C 54327754 NZEUNJVCXMJKKK-UHFFFAOYSA-N 407.518 3.322 0 40 HGAB CCCCCCNC(=O)[C@@H]1[C@@H]2C=C[C@]3(CN(CCc4c[nH]c5ccccc45)C(=O)[C@H]13)O2 100785193 VHLZIJNLSWSJQK-XOEOCAAJSA-N 421.541 3.189 0 40 HGAB O=C(COC(=O)c1cc2ccccc2oc1=O)Nc1ccc(Br)cc1F 3235606 OICRATSTNCVFIX-UHFFFAOYSA-N 420.190 3.490 0 40 HGAB Cc1c(C(=O)N2CCC[C@@H](c3nnc4ccccn34)C2)cnn1-c1ccc(F)cc1 24457643 VWQHTTHOEZAXCB-MRXNPFEDSA-N 404.449 3.382 0 40 HGAB COc1cccc(C(=O)N2CCN(C(=O)COc3ccc(Cl)cc3Cl)CC2)c1 24828784 MUHJDBZQWZXUHS-UHFFFAOYSA-N 423.296 3.365 0 40 HGAB COc1cn(-c2ccccc2)nc1C(=O)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 17823785 HBUQAPKYYPYBOG-QGZVFWFLSA-N 404.470 3.372 0 40 HGAB Cc1cccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)NC[C@H]3CCCO3)c2)c1 25378637 DEODQPKPXHASGE-OAHLLOKOSA-N 408.907 3.358 0 40 HGAB C[C@H]1CN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2ccc(Cl)cc2)C[C@@H](C)O1 107078969 SZCCXEXIHXCIBJ-YRNRMSPPSA-N 400.906 3.317 0 40 HGAB CCc1ccc(NC(=O)CN2C(=O)N[C@H](c3cc(C)ccc3C)C3=C2COC3=O)cc1 67288590 HRPSIYXUQGXYFL-JOCHJYFZSA-N 419.481 3.382 0 40 HGAB CCOc1cccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1 55767567 AWXARKWYLVFJIV-UHFFFAOYSA-N 406.479 3.264 0 40 HGAB O=C(Nc1ccccc1)[C@H]1CCCN(C(=O)NCc2ccnc(N3CCCC3)c2)C1 26303046 OYIBSSOWKLNSIG-IBGZPJMESA-N 407.518 3.242 0 40 HGAB COCCn1c(SCC(=O)Nc2cccc(C(C)=O)c2)nc2ccsc2c1=O 57425806 MFICTEMSGGGMAY-UHFFFAOYSA-N 417.512 3.038 0 40 HGAB CN(C)[C@H](CNC(=O)[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1)c1ccsc1 48249071 QQTZSUVRGRUIJQ-YLJYHZDGSA-N 417.550 3.087 0 40 HGAB CCc1ccccc1NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cc(OC)ccc1C 22229751 SBZQPNMMBUNUTD-IBGZPJMESA-N 402.516 3.358 0 40 HGAB CCNC(=O)c1ccc(OC)c(S(=O)(=O)Nc2ccc3nc(C)sc3c2)c1 22255224 AMXDPVHKCZUJFK-UHFFFAOYSA-N 405.501 3.164 0 40 HGAB CNC(=O)c1[nH]c([C@H]2CC[C@H](CNC(=O)C(C)C)CC2)nc1-c1ccc(OC)cc1 100687859 NMYYBTLSKDHPQV-WOVMCDHWSA-N 412.534 3.491 0 40 HGAB CCc1ccc(OCC(=O)NC[C@H](c2ccccc2Cl)N2CCOCC2)cc1 27662119 IFGJJQPVJRQXKE-OAQYLSRUSA-N 402.922 3.471 0 40 HGAB C[C@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)N1CCC[C@H](C(=O)N(C)C)C1 58215696 FPJRZUDGFHBPHE-QUCCMNQESA-N 409.530 3.393 0 40 HGAB CCN(CC)CCn1c(N)c(S(=O)(=O)c2ccccc2)c2nc3ccccc3nc21 2289804 PJOGXJQQEPCXNN-UHFFFAOYSA-N 423.542 3.341 0 40 HGAB Cc1ccc(Cn2nc(C)c3cc(C(=O)NCCCN4CCOCC4)sc32)cc1 12788252 IFCMODWOPYCXBJ-UHFFFAOYSA-N 412.559 3.215 0 40 HGAB COc1ccc([C@]2(C)NC(=O)N(Cc3cccc(Br)c3)C2=O)cc1OC 11590930 BPRXHYUEXIBLOY-IBGZPJMESA-N 419.275 3.434 0 40 HGAB COCCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)c2ccc3ccccc3c2)cc1 12919790 IEOYFQLHNCVZDB-INIZCTEOSA-N 412.511 3.256 0 40 HGAB CCOC(=O)Cc1csc(NC(=O)[C@@H]2CC(=O)N(c3cccc4ccccc34)C2)n1 13001482 ZHALFUWVUVSVOV-OAHLLOKOSA-N 423.494 3.394 0 40 HGAB Cc1ccc(S(=O)(=O)N(C)CC(=O)OCc2coc(-c3ccccc3)n2)cc1 39188179 OICZEUWZAZOMFR-UHFFFAOYSA-N 400.456 3.014 0 40 HGAB CCOC(=O)c1ccc(S(=O)(=O)N2CCc3[nH]c4ccc(OC)cc4c3C2)cc1 13688939 VQANCJSWOMUTAW-UHFFFAOYSA-N 414.483 3.100 0 40 HGAB Cc1cc(C)c(NC(=O)CNC(=O)COc2ncnc3sc(C)c(C)c23)c(C)c1 39562097 HPFSVRBUEGVFDL-UHFFFAOYSA-N 412.515 3.367 0 40 HGAB CC1=C(C(N)=O)[C@@H](c2ccc(OCc3c(F)cccc3Cl)cc2)N2NC=NC2=N1 4368708 UGHSYUCIWBBKES-GOSISDBHSA-N 413.840 3.077 0 40 HGAB CC(C)(Oc1ccc(Cl)cc1)C(=O)OCC(=O)N1CCN(c2ccccc2)CC1 6353453 DXWRNUZESCXARD-UHFFFAOYSA-N 416.905 3.389 0 40 HGAB CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)[C@@H](C)Sc1n[nH]c(N)n1 14066477 VOOWNGIVILSDFS-SNVBAGLBSA-N 417.516 3.411 0 40 HGAB O=C(CSCc1ccccc1)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 4521957 GIACMAUJWJTJCD-UHFFFAOYSA-N 414.512 3.149 0 40 HGAB CCn1c(Cc2ccc(OC)cc2)nnc1SCC(=O)Nc1ncc(C)s1 409175511 RZIZJOAOSIQCCQ-UHFFFAOYSA-N 403.533 3.393 0 40 HGAB CC(=O)Nc1cc(NC(C)=O)cc(C(=O)O[C@@H](C)C(=O)Nc2ccc(Cl)cc2)c1 14244219 JKKATPOSWDKWJX-NSHDSACASA-N 417.849 3.441 0 40 HGAB COc1cc(Cl)c(C)cc1NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 5509398 OWOAQRXRZSWPLG-CYBMUJFWSA-N 416.861 3.420 0 40 HGAB COc1ccc(OC)c(NC(=O)COc2cc(O)c3c(c2)OC(C)(C)CC3=O)c1 6623970 KAHHOXLFXCIORE-UHFFFAOYSA-N 401.415 3.171 0 40 HGAB biogenic COc1ccc(Cc2nnc(NC(=O)[C@H]3CC(=O)N(C4CCCCC4)C3)s2)cc1 4783492 OVCCTTRCNRHXEE-HNNXBMFYSA-N 414.531 3.257 0 40 HGAB CC(C)[C@@H](NC(=O)c1ccccc1)c1nnc(SCC(=O)NC2CCCC2)n1C 4735977 FJLBENRVRYCBFJ-GOSISDBHSA-N 415.563 3.093 0 40 HGAB Cc1cc(=O)oc2cc(NC(=O)[C@H](C(C)C)N3C(=O)c4ccccc4C3=O)ccc12 6779298 AYIJJHIRUVIVHA-FQEVSTJZSA-N 404.422 3.361 0 40 HGAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c2c1[C@@H](c1ccccc1Br)CC(O)=N2 71279147 YDIUOHSFDDKKKE-DGCLKSJQSA-N 424.320 3.437 0 40 HGAB COc1cc2c(cc1OC)CN(CCC(=O)Nc1ccc(N3CCCC3=O)cc1)CC2 15414434 PGWKYIPQNIZUQR-UHFFFAOYSA-N 423.513 3.218 0 40 HGAB O=C(CSc1nc2nccnc2c(=O)n1Cc1ccccc1)Nc1ccc(F)cc1 9405108 FDNSSIAFWBCYFF-UHFFFAOYSA-N 421.457 3.105 0 40 HGAB C[C@H](NC(=O)c1ccccc1NC(=O)COc1nnc2ccccn12)c1ccccc1 15572192 ZCEDDCGZWQDSOC-INIZCTEOSA-N 415.453 3.238 0 40 HGAB COc1ccc(-c2noc(CN3C(=O)N[C@@](C)(c4ccc(Cl)cc4)C3=O)n2)cc1 7989141 UDOQWXDKFRNZTH-FQEVSTJZSA-N 412.833 3.366 0 40 HGAB C[C@H](NC(=O)CN1c2cccc3cccc(c23)S1(=O)=O)c1nc2ccccc2[nH]1 9338193 PVFCOUASSUMCGT-ZDUSSCGKSA-N 406.467 3.102 0 40 HGAB O=C(CNS(=O)(=O)c1cc(Cl)ccc1Cl)NCc1ccc(Cl)cc1 409144332 JRAKJOJOMWGSKE-UHFFFAOYSA-N 407.706 3.242 0 40 HGAB O=C(COC(=O)[C@@H]1[C@H]2C(=O)O[C@@H]3C[C@H]1C[C@H]23)Nc1cc(C(F)(F)F)ccc1Cl 9525748 YISJDWXIOAZCNV-NZTKLZGJSA-N 417.767 3.038 0 40 HGAB CC(C)COc1ccccc1CNC(=O)[C@H]1CCCN1S(=O)(=O)c1cccs1 71850252 OPXPKDXAVKHIPO-QGZVFWFLSA-N 422.572 3.252 0 40 HGAB COc1ccccc1C1=NN(C(=O)CCC(=O)O)[C@H](c2cccc3nccnc23)C1 72314688 FJLSNVJDQNQOAO-SFHVURJKSA-N 404.426 3.181 0 40 HGAB Cc1cc2nc(C)c(CCC(=O)N3CCC4(CC3)C[C@@H]4CN3CCCC3)c(C)n2n1 95982775 PEOYGDQBNUUCKV-HXUWFJFHSA-N 409.578 3.312 0 40 HGAB CCn1cc(S(=O)(=O)Nc2ccc(N3CCc4ccccc43)cc2C(=O)O)cn1 89309922 JRDVFYZBGJJQFE-UHFFFAOYSA-N 412.471 3.096 0 40 HGAB CN(C)c1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1c(F)cccc1F 9962630 IFISKFKKQUIILJ-UHFFFAOYSA-N 423.485 3.458 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)Nc1ccc(C(=O)O)cc1 408700776 LQAALPWTITYZIW-UHFFFAOYSA-N 416.499 3.366 0 40 HGAB C[C@]1(c2cccc(-c3noc([C@H]4C[C@]45CCc4ccccc45)n3)c2)NC(=O)NC1=O 544346549 UXZVJEUKXHXOGT-ZQMYSKGWSA-N 400.438 3.163 0 40 HGAB Cc1ccc(CNC(=O)CCc2ccc(S(=O)(=O)N3CCCCCC3)cc2)n1C 23574283 VNPSZTJFJMNATJ-UHFFFAOYSA-N 417.575 3.147 0 40 HGAB COc1ccc([C@H](C)NC(=O)c2c(Br)nc3n2CCC3)c(C)c1OC 1556843729 WAVYAEPUJJCJCE-NSHDSACASA-N 408.296 3.408 0 40 HGAB COc1ccc(NC(=O)c2nnc3n2C[C@@H]2CN(Cc4sccc4C)C[C@H]2C3)cc1 306129320 IAPYCKYCWPMVEG-CVEARBPZSA-N 423.542 3.213 0 40 HGAB O=C(C1CCN(c2ccc3nncn3n2)CC1)N1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 553295727 PNEYXDAJBNKXOD-NJYVYQBISA-N 416.529 3.135 0 40 HGAB CCC[C@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2OC)C1 408562217 OEAGJIOGEYHWFM-UONOGXRCSA-N 402.944 3.054 0 40 HGAB CCCCn1c(=O)c2ccccc2n(Cc2nc(-c3cccc(OC)c3)no2)c1=O 38652612 FVIZMIHUGWNSJS-UHFFFAOYSA-N 406.442 3.070 0 40 HGAB CSc1ccccc1OC[C@@H](O)CN(C(C)C)S(=O)(=O)c1cc(C)ns1 1561650792 JFCZAHCTSAUQHN-AWEZNQCLSA-N 416.590 3.012 0 40 HGAB Cc1nc(CN2CC[C@]3(CN(CC4CC4)C[C@@H]3c3cn(C(C)C)cn3)C2=O)cs1 306124835 CARBMIHRZCCRHW-DENIHFKCSA-N 413.591 3.457 0 40 HGAB Cc1ccc(C(=O)N[C@H]2C(=O)N/[N+](=C\c3ccc(F)cc3)[C@@H]2c2ccccc2)cc1 409063603 AFOXKHJZUWXECS-KSYIGNPDSA-O 402.449 3.150 0 40 HGAB CCCCNS(=O)(=O)c1ccc(OCC(=O)NCCc2ccccc2)c(Cl)c1 408617841 DMTKKUBDNOOSPM-UHFFFAOYSA-N 424.950 3.156 0 40 HGAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)N[C@H](C)c2ccccc2)cc1C 39986168 DISMBLWRUXSQJN-QGZVFWFLSA-N 404.532 3.282 0 40 HGAB CC(C)c1ccc(CCCNC(=O)CCN2C(=O)c3ccccc3S2(=O)=O)cc1 219673302 FVEFKARPQSEOGK-UHFFFAOYSA-N 414.527 3.094 0 40 HGAB CCN(CC)C(=O)CN1CCC[C@H]1c1nc(C)c2c(n1)N(Cc1ccccn1)CCC2 72373757 ZTSKBTLIHKRNIP-NRFANRHFSA-N 422.577 3.138 0 40 HGAB COCc1ccc(C(=O)N2CCc3cc(S(=O)(=O)N4CCCCC4)ccc32)cc1 30063064 XSVFQIASCUFABL-UHFFFAOYSA-N 414.527 3.211 0 40 HGAB O=C1[C@H]2Cc3c([nH]c4ccccc34)[C@H](c3ccccc3)N2C(=O)CN1Cc1ccncc1 16042747 PSQRHEOLMCGTGS-RDGATRHJSA-N 422.488 3.448 0 40 HGAB biogenic Cc1ccc2c(c1)cc(C(=O)N1CCC([C@@H]3CCCCN3S(C)(=O)=O)CC1)n2C 72392212 GWRPSLMOEDBRAB-FQEVSTJZSA-N 417.575 3.153 0 40 HGAB CC(=O)Nc1ccc(S(=O)(=O)NCc2nc(-c3ccc(C(C)C)cc3)no2)cc1 223585596 STKICVBLFLJKBN-UHFFFAOYSA-N 414.487 3.297 0 40 HGAB CCOc1cccc(CNC(=O)[C@H](C)N(c2ccc(CC)cc2)S(C)(=O)=O)c1 220287138 USQIKMHDZBZDAS-INIZCTEOSA-N 404.532 3.119 0 40 HGAB Cc1ccc(OCCNC(=O)[C@@H](C)N(c2cc(C)ccc2C)S(C)(=O)=O)c(C)c1 224042502 SINVGEGLFVTQEF-LJQANCHMSA-N 418.559 3.270 0 40 HGAB CCNC(=O)c1cc(S(=O)(=O)Nc2ccc3c4c(cccc24)CC3)ccc1OC 224224503 UXYFEIKSBRVZDB-UHFFFAOYSA-N 410.495 3.498 0 40 HGAB COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1Cc1ccco1 223718260 PAHNFAFMWQCXHW-RTWAWAEBSA-N 424.526 3.450 0 40 HGAB Cc1csc(=O)n1CCC(=O)NCc1ccccc1CN1C[C@@H](C)C[C@@H](C)C1 48353693 LGIIMXNWEOVPLT-CALCHBBNSA-N 401.576 3.403 0 40 HGAB CNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)COc1cccc2ccccc12 222812660 CGJQMPOTNGDTCF-KRWDZBQOSA-N 406.482 3.391 0 40 HGAB C[C@H](C(=O)N(C)Cc1ccc(Cl)cc1)N(c1ccc(F)c(F)c1)S(C)(=O)=O 225831816 FGZOPQRFFAOGML-GFCCVEGCSA-N 416.877 3.431 0 40 HGAB CN(Cc1nc(-c2cccc(Br)c2)no1)S(=O)(=O)Cc1ccccc1 223639037 PUDPDGFEKILJQR-UHFFFAOYSA-N 422.304 3.461 0 40 HGAB CCC(=O)N1CCc2cc(S(=O)(=O)NCc3cccc(C(F)(F)F)c3)ccc21 223463077 HHGQZKPWZXFLGO-UHFFFAOYSA-N 412.433 3.483 0 40 HGAB O=C(Nc1cccnc1)c1cn(-c2nc(CNc3cccnc3)c3ccccn23)cn1 96267081 GRKRQHOBCKVGAL-UHFFFAOYSA-N 410.441 3.174 0 40 HGAB COc1ccc(C2=NO[C@@H]3[C@H]4C[C@H]([C@@H]5C(=O)N(c6c(C)cccc6C)C(=O)[C@@H]54)[C@H]23)cc1 248180474 DEBBZXPRNSMGBS-LXTOUSOVSA-N 416.477 3.487 0 40 HGAB CCc1ncnc(O[C@H]2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)C2)c1F 244933314 CLUGFXOADKMARV-LBPRGKRZSA-N 419.400 3.039 0 40 HGAB NC(=O)C[C@H]1CN(C(=O)Cc2c(F)cccc2Cl)CC[C@@H]1Oc1ccccc1 257335207 YJDGALOZSJSJDA-LIRRHRJNSA-N 404.869 3.193 0 40 HGAB Cc1ccccc1Cn1c(OCc2ccccc2Cl)nc2c1c(=O)n(C)c(=O)n2C 618254976 LZDUMOHGSMLTCP-UHFFFAOYSA-N 424.888 3.023 0 40 HGAB O=C(CN1C(=O)c2ccccc2Oc2ncccc21)N1CCN(c2ccccc2)CC1 96118882 HEBJEVPSMVRJTH-UHFFFAOYSA-N 414.465 3.183 0 40 HGAB CCCc1onc(C)c1C(=O)N1CC2(CC[C@H](CN(C)Cc3cccnc3)CO2)C1 575402529 CACGUGMMQKQAQO-LJQANCHMSA-N 412.534 3.084 0 40 HGAB CC(C)(C)OC(=O)N1CCC(CC(=O)N2[C@H]3CC[C@H]2CC(n2cncn2)C3)CC1 827887218 NCESJNYYKFCKMS-IRXDYDNUSA-N 403.527 3.010 0 40 HGAB COc1cccc(C(=O)Nc2cccc(OCc3cc(=O)n4nc(C)sc4n3)c2)c1 13367891 RLSACIHKXFATMJ-UHFFFAOYSA-N 422.466 3.299 0 40 HGAB Cc1cc(S(=O)(=O)Nc2ccc(F)cc2)c(C)n1S(=O)(=O)c1ccccc1 13585915 PQFBVXBZGPFXJV-UHFFFAOYSA-N 408.476 3.282 0 40 HGAB Cc1ccc(C)c([C@H](C)NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)c1 14573722 XGHPCGOSBSWBJB-SFHVURJKSA-N 416.543 3.124 0 40 HGAB COC(=O)c1c(C)[nH]c(C(=O)CSc2nc3ccccc3c(=O)n2C2CC2)c1C 18964768 XEVDNYLPWIGVFD-UHFFFAOYSA-N 411.483 3.438 0 40 HGAB COc1ccc(CN2[C@H]3CC[C@@H]2c2c(nc(C)nc2NC[C@@H]2CCCO2)C3)cc1CO 19286249 JFZBOIGZVMQSDI-IRFCIJBXSA-N 424.545 3.139 0 40 HGAB COCCC(=O)N1CCC[C@](Cc2ccccc2-c2cccnc2)(C(=O)N(C)C)C1 19579083 ZBUBKEZVRCRMFS-XMMPIXPASA-N 409.530 3.025 0 40 HGAB CNC(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CCCN(C(=O)[C@@H]2CCCO2)C1 19591053 WBVIVWCDJPRGML-CVDCTZTESA-N 412.555 3.491 0 40 HGAB CNC(=O)[C@@]1(Cc2ccc(-c3ccccc3OC)cc2)CCN(C(=O)[C@H]2CCCO2)C1 19591404 KHZXJOXKBSPEFF-RCZVLFRGSA-N 422.525 3.048 0 40 HGAB CNC(=O)[C@@]1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)Cc2cccnc2)C1 19591528 WIBLTMXPKRJYBD-AREMUKBSSA-N 413.521 3.499 0 40 HGAB Cc1nc(CC(=O)N2CCC[C@H]2c2ccc(C(=O)Nc3nccs3)cn2)cs1 19708182 RBWOMFPTSZTTSO-INIZCTEOSA-N 413.528 3.462 0 40 HGAB CCOc1ccc(CCC(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)cc1OCC 19932967 YMERDGFBSBOOGP-UHFFFAOYSA-N 420.531 3.451 0 40 HGAB COc1cc(C(=O)N[C@H]2CCCc3nc(-c4ccncc4)ncc32)cc(OC)c1OC 12327728 BCFKKSQTLYSZFF-SFHVURJKSA-N 420.469 3.372 0 40 HGAB CCN(CC)C(=O)c1cnc(C)nc1-c1ccc(CNC(=O)c2cccnc2)cc1 19526290 GHZBQCIYWURBDU-UHFFFAOYSA-N 403.486 3.259 0 40 HGAB Cc1cnc(C(=O)N2CCC[C@@H]3[C@H]2CCCCc2ccccc2OCC(=O)N3C)cn1 1848354529 HEJSABXDRMEHHJ-NHCUHLMSSA-N 422.529 3.022 0 40 HGAB COc1ccccc1CCNC(=O)CSc1nnc2ccc(-c3ccccc3)nn12 4376555 BXQHOOIAXOFMRZ-UHFFFAOYSA-N 419.510 3.251 0 40 HGAB COc1cn(CC(=O)Nc2cccc(C)c2)c(CSc2nnc(C)s2)cc1=O 10254747 WEFSASYFBFQPRF-UHFFFAOYSA-N 416.528 3.256 0 40 HGAB O=C(Cc1csc(NC(=O)c2ccc[nH]c2=O)n1)Nc1ccc(F)c(Cl)c1 12422944 MFWYLDXFKFGGOO-UHFFFAOYSA-N 406.826 3.057 0 40 HGAB CCN1CCN(c2oc(-c3ccco3)nc2S(=O)(=O)c2ccc(C)cc2)CC1 12419400 OKRANABJBYDQIZ-UHFFFAOYSA-N 401.488 3.218 0 40 HGAB COc1ccccc1-c1nnc2ccc(OCCNC(=O)c3ccccc3Cl)nn12 13525701 WUJQFMPLILRSAZ-UHFFFAOYSA-N 423.860 3.262 0 40 HGAB Cc1ccc(-n2nnc(C(=O)NCc3ccc4c(c3)OCO4)c2-c2cccnc2)cc1 38487474 RWJSMWHLTJPPPP-UHFFFAOYSA-N 413.437 3.296 0 40 HGAB O=C(c1cncc(Br)c1)N1CCC[C@@H](n2cnc3ccccc3c2=O)C1 575617930 SMQGCWJDHNQMJV-OAHLLOKOSA-N 413.275 3.031 0 40 HGAB CN(Cc1ccccc1Br)C(=O)[C@H]1CCCN(C(=O)N2CCCC2)C1 40092085 NYHMMOPFUNXWFK-INIZCTEOSA-N 408.340 3.335 0 40 HGAB CC(=O)c1ccc(N2CCN(C(=O)c3ccccc3N(C)C(=O)C3CC3)CC2)cc1 40144255 YJDZWTYLKGGAOD-UHFFFAOYSA-N 405.498 3.224 0 40 HGAB CC(=O)C1=NN(c2cccc(Cl)c2)[C@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@@H]12 100746137 DQHHZDFTNOCULU-DOTOQJQBSA-N 402.237 3.317 0 40 HGAB CNC(=S)N(Cc1ccc2c(c1)OCO2)Cc1cc2c(C)cc(C)cc2[nH]c1=O 875244 OWVJPURDDCRAAR-UHFFFAOYSA-N 409.511 3.380 0 40 HGAB CC(C)(C)c1ccc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2)cc1 1156943 DRPQZZVEVGMFMW-FQEVSTJZSA-N 400.544 3.454 0 40 HGAB Cc1cccc(NC(=O)CSc2nnc(-c3ccc(NS(C)(=O)=O)cc3)o2)c1 1329742 WOYPWMSJNKLNSV-UHFFFAOYSA-N 418.500 3.147 0 40 HGAB COc1c(C)cccc1C(=O)NC(=S)Nc1sc2c(c1C(N)=O)CC[C@H](C)C2 1861033 OLVZHBCDIJWLIJ-JTQLQIEISA-N 417.556 3.416 0 40 HGAB CCN(CC)CC[C@@](O)(c1ccc2c(c1)OCO2)c1cc(OC)c(OC)c(OC)c1 2043235 WTNYYRBXOPUIBO-HSZRJFAPSA-N 417.502 3.409 0 40 HGAB COc1ccc(-c2nc3s/c(=C\c4c(F)cccc4Cl)c(=O)n3n2)cc1OC 2397956 ZMUQJTOIHMWIIB-SXGWCWSVSA-N 417.849 3.175 0 40 HGAB O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc([N+](=O)[O-])cc1 3189395 DDZIPJANGLMNQK-NTEUORMPSA-N 416.187 3.024 0 40 HGAB CCOC(=O)c1c(NC(=O)CSc2nnc3ccccn23)sc2c1CCC2 3190175 WFBLZSCTYPLRQL-UHFFFAOYSA-N 402.501 3.187 0 40 HGAB CCOC(=O)c1sc(NC(=O)CCCN2C(=O)c3ccccc3C2=O)cc1C 3371234 HFBYXDXEWIGCMK-UHFFFAOYSA-N 400.456 3.248 0 40 HGAB CC(C)[C@H](NC(=O)C1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1)C(=O)O 4283147 UKVWFTDBYCGOFA-KRWDZBQOSA-N 404.507 3.181 0 40 HGAB O=C1C2=C(CCCC2)[C@H](NCCCN2CCOCC2)N1CCc1ccc(Cl)cc1 4591159 HPHJUSKSLGUJEH-JOCHJYFZSA-N 417.981 3.233 0 40 HGAB Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3cccc(Br)c3)C2=O)cc1 4668678 YVYACGSCPHDQFN-MHWRWJLKSA-N 414.259 3.289 0 40 HGAB CCn1c(CNC(=O)[C@H]2CC(=O)N(CCc3ccc(OC)cc3)C2)cc2ccccc21 4973473 NQCLRETXCDJGGB-FQEVSTJZSA-N 419.525 3.377 0 40 HGAB O=S(=O)(c1cccc(-c2nn3c(-c4ccccc4)nnc3s2)c1)N1CCCC1 6787194 QSBVMVRFOKCNFV-UHFFFAOYSA-N 411.512 3.304 0 40 HGAB Cc1ccc(-c2nnc(S[C@H](C(=O)N3CCOCC3)c3ccccc3)n2C)cc1 8185870 JBKWOZBLMKQDRP-IBGZPJMESA-N 408.527 3.483 0 40 HGAB Cc1cc(C(=O)CSc2nnnn2C[C@H]2CCCO2)c(C)n1Cc1cccs1 8327077 DTUFZJJIPXPPTH-OAHLLOKOSA-N 417.560 3.355 0 40 HGAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)c2c(Cl)nc3sccn23)c1 8329167 WIVJGMQINHTIRK-UHFFFAOYSA-N 412.924 3.332 0 40 HGAB Cc1nc2ccccc2n1CCNC(=O)c1ccccc1SCC(=O)N1CCCC1 8425117 UONMACIXQMXELA-UHFFFAOYSA-N 422.554 3.489 0 40 HGAB CCn1c(SCc2cccc(Br)c2)nnc1-c1nonc1NC(C)=O 8614101 WNBZNZNDWSMZRN-UHFFFAOYSA-N 423.296 3.361 0 40 HGAB Cc1c(C)n2c3c(=O)[nH]c(=O)n(C)c3nc2n1-c1ccc(Oc2ccccc2)cc1 8656773 HPWWQMKJBDGYAR-UHFFFAOYSA-N 401.426 3.074 0 40 HGAB CC(C)[C@H](NCC(=O)Nc1ccccc1C(=O)NC1CC1)c1ccc2c(c1)OCCO2 8734756 LEPFDVGPJZFAHB-QHCPKHFHSA-N 423.513 3.275 0 40 HGAB Cc1nc2c(=O)n(CC(=O)NCc3ccc(F)cc3)nc(-c3cccs3)c2s1 8956015 SYUMUYJWVYNOGZ-UHFFFAOYSA-N 414.487 3.345 0 40 HGAB CCN(CC)S(=O)(=O)c1cc(NC(=O)Cc2ccc(OC)cc2OC)ccc1C 8987942 HTQPGBBKTWABAS-UHFFFAOYSA-N 420.531 3.224 0 40 HGAB CC(=O)NCc1ccc(-c2csc(NC(=O)[C@H]3Cc4ccccc4C(=O)O3)n2)cc1 9364620 BUSZAPQTYWEOCW-LJQANCHMSA-N 421.478 3.166 0 40 HGAB CO[C@@H]1CCC[C@H](C(=O)N2CCC[C@H]2Cn2nc(-c3cccs3)ccc2=O)C1 12144961 TZXPOYGTKBUSBE-YESZJQIVSA-N 401.532 3.168 0 40 HGAB CC1(C)Cc2nc(-c3ccncc3)ncc2[C@H](NC(=O)C2Oc3ccccc3O2)C1 12221153 GLNLUOMIKMWULQ-QGZVFWFLSA-N 402.454 3.466 0 40 HGAB O=C(Nc1ccc(N2CCCS2(=O)=O)cc1)C1=Cc2cc(Cl)ccc2OC1 12262743 LAUGZDXFUHCRNT-UHFFFAOYSA-N 404.875 3.294 0 40 HGAB COc1ccc(N2C[C@@H](C(=O)Nc3ccc4oc(=O)ccc4c3)CC2=O)cc1Cl 12321786 XEMZOOHQYJZUDT-ZDUSSCGKSA-N 412.829 3.447 0 40 HGAB COCC(=O)Nc1ccc(C)c(S(=O)(=O)Nc2ccc(Br)cc2)c1 12508277 FRGHVXRPCZGPHS-UHFFFAOYSA-N 413.293 3.143 0 40 HGAB C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)Nc3ccc(F)c(F)c3)c2)C[C@@H](C)O1 12675448 QACPFSCCCRSVAP-BETUJISGSA-N 410.442 3.015 0 40 HGAB Cc1cccc(NC(=O)CNC(=O)[C@@H]2CC(=O)N(Cc3ccccc3Cl)C2)c1C 12978646 DGGMPNBRRHRLLS-QGZVFWFLSA-N 413.905 3.060 0 40 HGAB CS(=O)(=O)N1CCCc2cc(C(=O)N3CCC(Cc4ccccc4)CC3)ccc21 13580441 CCBHDEIMMOHLEA-UHFFFAOYSA-N 412.555 3.494 0 40 HGAB COc1ccc(F)cc1S(=O)(=O)N(C)CC(=O)Nc1cc(Cl)ccc1C 13580984 LTXJFLUXEGFFOK-UHFFFAOYSA-N 400.859 3.055 0 40 HGAB CC1=NN(C(=O)c2cc(-c3cccc(Br)c3)[nH]n2)[C@@](O)(C(F)(F)F)C1 13959742 YHLKKMJHEMWILG-AWEZNQCLSA-N 417.185 3.312 0 40 HGAB O=C(Nc1nc2c(s1)CCCCC2)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 14554338 JJSZTLHXPSDGLC-CYBMUJFWSA-N 413.499 3.175 0 40 HGAB CC(=O)c1ccc(NC(=O)CSc2nc(O)c3cnn(-c4ccccc4)c3n2)cc1 15825239 ALOIVZUEBCNBOP-UHFFFAOYSA-N 419.466 3.455 0 40 HGAB COc1cc(OC)c(OC)cc1CNC(=O)Cc1cc(Cl)c2c(c1)OCCCO2 16234303 WKFUBDVLUAKEKR-UHFFFAOYSA-N 421.877 3.386 0 40 HGAB CCN(CC)Cc1ccc(CNC(=O)c2nn(-c3ccccc3F)c(C)cc2=O)cc1 16780799 JOGLJXOUXCMVEZ-UHFFFAOYSA-N 422.504 3.452 0 40 HGAB Cc1cccc(C2(CNS(=O)(=O)c3c(C)nn(C(F)F)c3C)CCOCC2)c1 19234563 ASWPTOILAYDCGK-UHFFFAOYSA-N 413.490 3.230 0 40 HGAB COc1ccc(CN(Cc2cc3c(cc2C)n(C)c(=O)n3C)C2CCN(C)CC2)cc1 19662988 DWSDMSBZBHJXAA-UHFFFAOYSA-N 422.573 3.290 0 40 HGAB Cn1cc(C(=O)Nc2ccc(F)cc2)c(CC2CCN(C(=O)c3cccnc3)CC2)n1 19754264 RTLIVUFBDSNRIP-UHFFFAOYSA-N 421.476 3.301 0 40 HGAB COc1cc2c(cc1OC)N(C)S(=O)(=O)C(C(=O)N[C@H](C)c1ccccc1)=C2C 20063924 VUDGNDHCAIXFLL-CQSZACIVSA-N 416.499 3.092 0 40 HGAB CCN(c1ccccc1)S(=O)(=O)c1nnc(NC(=O)/C=C/c2ccccc2)s1 20486641 PARYRRQKHCJIAA-BUHFOSPRSA-N 414.512 3.405 0 40 HGAB COc1ccc(S[C@@H](C)C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 20489691 GMQPIQZJQGYZAE-INIZCTEOSA-N 414.527 3.249 0 40 HGAB COc1ccc([C@H](CNC(=O)c2cc(=O)c3cc(Cl)ccc3o2)N(C)C)cc1 20932304 OUMQDKXLDHQNOV-KRWDZBQOSA-N 400.862 3.488 0 40 HGAB C[C@@H]1CN(Cc2csc(NC(=O)c3ccc(NC(=O)C4CC4)s3)n2)C[C@@H](C)O1 22305061 IZLYCPTZYCRGRU-VXGBXAGGSA-N 420.560 3.415 0 40 HGAB Cc1ccc(-n2ncc3c(C4CC4)nn(CC(=O)N4CCC(C)CC4)c(=O)c32)cc1C 22768177 XGLHISCKNCRLSO-UHFFFAOYSA-N 419.529 3.335 0 40 HGAB CC(=O)c1ccc(N2CCN(C[C@H](O)CO[C@@H]3CCCc4ccccc43)CC2)cc1 23409374 OGWTUTVQGZESEI-UKILVPOCSA-N 408.542 3.466 0 40 HGAB Cc1nc(COc2ccccc2C(=O)NC2CCN(Cc3ccccc3)CC2)no1 23613011 LPGDFLPHODGVQB-UHFFFAOYSA-N 406.486 3.351 0 40 HGAB NC(=O)c1ccc(CN(C(=O)COc2ccc(Br)cc2)C2CC2)cc1 24833219 IESZOUODLZJRPM-UHFFFAOYSA-N 403.276 3.118 0 40 HGAB CCCNC(=O)c1ccccc1NS(=O)(=O)c1cc(C(=O)OC)ccc1Cl 26534136 BOEMOCHZKBMVIO-UHFFFAOYSA-N 410.879 3.067 0 40 HGAB COc1cc(S(=O)(=O)Oc2ccccc2NC(C)=O)ccc1Br 32602156 RTDAKOVDRRNIEM-UHFFFAOYSA-N 400.250 3.184 0 40 HGAB C[C@H](Sc1ncnc2ccccc12)C(=O)NC(=O)Nc1ccc2c(c1)OCCO2 32774332 XIHYIEFNENMEKV-LBPRGKRZSA-N 410.455 3.230 0 40 HGAB O=C(NCc1ccccc1Cn1cccn1)[C@@H]1CCCN(C(=O)Cc2ccccc2)C1 32816426 HQICCNQCHIYPTC-HSZRJFAPSA-N 416.525 3.029 0 40 HGAB Cc1cc(/C=C2/N=C(S)NC2=O)c(C)n1-c1sc2c(c1C(=O)O)CCCC2 33938275 NZFRQASYFQAHGX-MDWZMJQESA-N 401.513 3.489 0 40 HGAB Cc1ccc(Cl)cc1N1CCN(CC(=O)NC(=O)Nc2ccccc2F)CC1 35269191 GRVWVLKBOKCDEY-UHFFFAOYSA-N 404.873 3.258 0 40 HGAB CC(C)S(=O)(=O)c1ccc(Cc2nnc(NC(=O)c3ccc(F)c(F)c3)o2)cc1 35588406 VXFHRIVCRYHOOW-UHFFFAOYSA-N 421.425 3.373 0 40 HGAB COc1ccc([C@H]2[C@H](C(=O)NCc3ccncc3)c3ccccc3C(=O)N2C)cc1 36359302 XOEBUAQPYSGJER-YADHBBJMSA-N 401.466 3.317 0 40 HGAB O=C(NCc1ccc(CN2CCCCC2)cc1)c1ccc(CN2CCOCC2)cc1 38831646 XZTCDVFERQMWGI-UHFFFAOYSA-N 407.558 3.435 0 40 HGAB O=C(NCCOc1cccc(Cl)c1)C1CCN(C(=O)COc2ccccc2)CC1 40113570 IQLUNFHBSSBACP-UHFFFAOYSA-N 416.905 3.153 0 40 HGAB CC[C@@H]1CCCCN1c1nc2c(c(=O)[nH]1)[C@@H](C(=O)Nc1cc(C)cc(C)c1)CC(=O)N2 40390600 LCRJBCJETRQKHI-SJORKVTESA-N 423.517 3.220 0 40 HGAB COc1ccccc1N1C[C@@H](C(=O)Nc2nnc(COc3ccccc3)s2)CC1=O 49551096 WIYRVXRHBANARC-AWEZNQCLSA-N 424.482 3.117 0 40 HGAB CCOc1ccccc1CNC(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1 54143808 CEPMJAQLANMERF-UHFFFAOYSA-N 412.511 3.175 0 40 HGAB CC(=O)c1ccc(N2CCN(CC(=O)Nc3ccccc3Br)CC2)cc1 57712389 OLETXGADALLKKZ-UHFFFAOYSA-N 416.319 3.412 0 40 HGAB CC[C@H](Cn1nc(-c2cccs2)ccc1=O)NC(=O)c1ccc2[nH]c(C)nc2c1 57730746 IUPZUGZYZNPIEU-OAHLLOKOSA-N 407.499 3.365 0 40 HGAB COc1ccc(NC(=O)[C@@H]2CCCN2C(=O)Nc2cccc(N3CCOC3=O)c2)cc1 58440166 AMGRVPZGCOZUGB-IBGZPJMESA-N 424.457 3.287 0 40 HGAB C[C@H]1CN(c2ccc(C(=O)Nc3ccc(OCC(F)(F)F)nc3)cn2)C[C@@H](C)O1 60460615 ABDXIMBUVGHURZ-BETUJISGSA-N 410.396 3.284 0 40 HGAB Cc1ccc2c(c1)CCCN2C(=O)[C@H]1CCCN(c2ccc(-n3cccn3)nn2)C1 62022801 NWLPQJJLIKDPBA-IBGZPJMESA-N 402.502 3.167 0 40 HGAB Cc1ccc2c(c1)N(S(C)(=O)=O)CC[C@H](C(=O)Nc1cccc(OC(C)C)c1)O2 64988703 AELNXQUXLRBQQJ-HXUWFJFHSA-N 418.515 3.338 0 40 HGAB O=C(Cn1c(=O)cc(-c2nc(C3CC3)no2)c2ccccc21)NCc1ccccc1 67317957 SRGSYQYPZONCEZ-UHFFFAOYSA-N 400.438 3.245 0 40 HGAB Cn1cnc(S(=O)(=O)N2CCC(c3cccc(Cc4cccc(F)c4)n3)CC2)c1 72350342 GEDREFMZKCQPNZ-UHFFFAOYSA-N 414.506 3.113 0 40 HGAB CCSc1ncc(CN2CCC[C@H](c3cc(=O)[nH]c(-c4cccnc4)n3)C2)cn1 72393182 ZVYKDHQWIPGYCJ-KRWDZBQOSA-N 408.531 3.114 0 40 HGAB COc1ccccc1CCC(=O)N1CCC[C@H](c2cc(C(F)F)n3ncnc3n2)C1 72395331 DNQUCKOHBGRWBO-HNNXBMFYSA-N 415.444 3.409 0 40 HGAB C[C@@H](Oc1cccc(F)c1)C(=O)NCCc1ccc(OCCN2CCCC2)cc1 95460109 ZUWHBNVNZOKTMX-GOSISDBHSA-N 400.494 3.427 0 40 HGAB CC(C)(O)c1nnc(NC(=O)c2cc(Cl)ccc2I)s1 95464811 WIAXZBWRMSWJAO-UHFFFAOYSA-N 423.663 3.276 0 40 HGAB Cc1cc(=O)c(OCC(=O)Nc2ccc3nc(CCc4ccccc4)[nH]c3c2)cn1C 95472073 HLJHWRLZFMFRQL-UHFFFAOYSA-N 416.481 3.373 0 40 HGAB Cc1n[nH]c(-c2ccc(Cl)cc2)c1CC(=O)N1CCN(CCc2ccncc2)CC1 95480782 HWPVICMUZUDWBH-UHFFFAOYSA-N 423.948 3.363 0 40 HGAB O=C(CCn1cnc2ccccc2c1=O)NCc1cccc(Oc2ccccn2)c1 96122537 YGIGCCWCTPHIOM-UHFFFAOYSA-N 400.438 3.290 0 40 HGAB CCc1ccc(S(=O)(=O)N2CC[C@@]3(C[C@@H]3C(=O)NCc3cccs3)C2)cc1 96227683 ZOYGDGJIOCLLLX-UYAOXDASSA-N 404.557 3.028 0 40 HGAB COc1ccc(N2C(=O)[C@H]3N=NN(Cc4ccc(Cl)cc4)[C@@H]3C2=O)cc1Cl 101169227 GXJBAEVXEWZFHZ-HOTGVXAUSA-N 405.241 3.495 0 40 HGAB CC(=O)O[C@@H]1C[C@@]2(C)[C@@H](CC[C@H]2OC(C)=O)[C@@H]2CC(=O)[C@@]3(O)CCCC[C@]3(C)[C@H]21 118927930 DFIRLJQMOGCRHN-IDVBYHLZSA-N 406.519 3.186 0 40 HGAB COc1ccc([C@H](C)NC(=O)c2cc3c(N4CCCC4)nc(C)cn3n2)cc1OC 169768746 XPLFMKGIUPIACI-HNNXBMFYSA-N 409.490 3.146 0 40 HGAB CCCCNS(=O)(=O)c1ccc(OCC(=O)N2c3ccccc3C[C@H]2C)cc1 222721351 UHVNNRISMDESFZ-MRXNPFEDSA-N 402.516 3.122 0 40 HGAB C[C@H](C(=O)NCc1ccncc1)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1 222917781 PAQNIRHZUWSQGZ-GOSISDBHSA-N 405.473 3.497 0 40 HGAB CCOc1ccc([C@@H](C)NS(=O)(=O)c2cccc(C(=O)OC)c2)cc1OCC 223319464 IMXWJWRFDQZIII-CQSZACIVSA-N 407.488 3.310 0 40 HGAB CC[C@@H](C(=O)NC)N(CCc1ccccc1)C(=O)CCc1ccc(OC)c(OC)c1 223495271 UEFYSAIGYJRNKI-FQEVSTJZSA-N 412.530 3.232 0 40 HGAB CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N[C@@H](C)c1ccccc1OC 224772935 NVTJHYMQPRLEEI-HNAYVOBHSA-N 420.531 3.126 0 40 HGAB O=C1CCC(=O)N1c1ccc(S(=O)(=O)Nc2ccc(OC3CCCC3)cc2)cc1 225088898 JQUUAFNWRLWSCG-UHFFFAOYSA-N 414.483 3.462 0 40 HGAB CCCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCC(=O)N2CCOCC2)cc1 225734064 NDGWDXLJLATQQA-QFIPXVFZSA-N 406.523 3.094 0 40 HGAB COc1cccc(CNC(=O)[C@@H]2C[C@H]3CC[C@H]2C[C@@]32NC(=O)c3ccccc3O2)c1 247891945 MUUUQLQTIJADFU-MBBIILEFSA-N 406.482 3.266 0 40 HGAB CCc1nnc(Nc2cccc([C@H]3CN(C(=O)c4oc(C)nc4C)CCO3)n2)s1 257258043 KSDZBRAEFKMSSR-CQSZACIVSA-N 414.491 3.058 0 40 HGAB COc1cccc2c1OC1(CCN(C(=O)COc3cccnc3)CC1)[C@H]1CCCO[C@H]21 257314743 UYGIIOSVEQSXRH-SIKLNZKXSA-N 424.497 3.391 0 40 HGAB S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2Cc2cccnc2)N1C[C@H]1CCCO1 260922634 QVKPNDCMSOKWDZ-STZQEDGTSA-N 419.554 3.478 0 40 HGAB COc1ncccc1CN1C[C@H]2[C@@H](C1)N(Cc1ccc(F)cc1)C(=O)c1cccn12 306133407 MKKOHVIZIFSATR-LEWJYISDSA-N 406.461 3.112 0 40 HGAB COCCN1CC[C@]2(c3ccccc3)CCN(C(=O)c3ccc(OC)cc3)[C@H]2CC1=O 306134024 NCAYIOCILMELLC-WIOPSUGQSA-N 422.525 3.117 0 40 HGAB COC(=O)c1ccccc1NC(=O)CNC(=O)c1ccc(COc2ccccc2C)o1 408561338 HZDCGUNMKGZSNC-UHFFFAOYSA-N 422.437 3.322 0 40 HGAB COc1c(C)cc(Br)cc1C(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O 408621201 KKKVWEVNPRWIPM-UHFFFAOYSA-N 403.232 3.244 0 40 HGAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCC(C)C)C2)cc1Cl 408624565 QTZGMPOMDXMEKX-OAHLLOKOSA-N 416.971 3.302 0 40 HGAB Cc1cc(C)c(C)c(-c2c3c(nc4c2c(=O)n(C)c(=O)n4C)-c2ccccc2[C@H]3O)c1 408986229 ORSGIAIZFHGAHL-JOCHJYFZSA-N 413.477 3.287 0 40 HGAB CCN1C(=O)/C(=C/c2ccc(OCc3ccc(C(=O)O)cc3)c(OC)c2)NC1=S 409007668 QOSBYIDULMKXOU-YBEGLDIGSA-N 412.467 3.050 0 40 HGAB CCOc1ccc(/C=C2/SC(=O)N([C@H](C)C(=O)OC)C2=O)cc1Br 409099395 RENAPRPLAIJLER-TVNQGELYSA-N 414.277 3.446 0 40 HGAB COC(=O)c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3C)C2=O)cc1 409159005 PUBUXKCGMPEJNV-GZTJUZNOSA-N 410.451 3.457 0 40 HGAB O=Cc1ccc(-c2ccc(C(=O)OCC(=O)N3CCN(c4ccccc4)CC3)cc2)o1 409173876 ONRCBRHOWKUKAK-UHFFFAOYSA-N 418.449 3.265 0 40 HGAB CCOc1ccc(/C=C2\SC(=O)N(CC(=O)NCc3ccco3)C2=O)cc1OC 409214897 ZOTPJLSIYPJMRA-YVLHZVERSA-N 416.455 3.040 0 40 HGAB CCN1CCCCCCCCO[C@@H]2CN(C(C)=O)C[C@H]2Oc2ccccc2C1=O 643582439 ZWYGICHZFYMVHM-FGZHOGPDSA-N 402.535 3.498 0 40 HGAB Cc1noc(C)c1CCC(=O)N1CC[C@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@H]21 1889136061 SXBICTRMXKTSPT-WMLDXEAASA-N 408.424 3.375 0 40 HGAB COC(=O)[C@@H]1[C@H](c2ccc(Br)cc2)[N@@]1S(=O)(=O)c1ccc(C)cc1 2049251819 VRNANQYWHOYGEU-TXPKVOOTSA-N 410.289 3.045 0 40 HGAB COC(=O)c1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2c2ccc(OC)c(OC)c2)c1 32770747 IIFTUPLFFJGHNE-QGZVFWFLSA-N 419.499 3.325 0 40 HGAB CCOC(=O)c1c(NC(=O)CNC2CC2)sc(C(=O)Nc2ccccc2)c1C 2649499 PSGNIELIOFZGPM-UHFFFAOYSA-N 401.488 3.176 0 40 HGAB C[C@@H](OC(=O)c1cc(Cl)c2c(c1)OCCO2)C(=O)Nc1ccc2c(c1)OCCO2 21498885 AGGJAFVSCUDYKK-LLVKDONJSA-N 419.817 3.066 0 40 HGAB COc1ccc(C(=O)N[C@@H]2CCN(c3ccccc3Br)C2)cc1OC 78881854 DGAGCTHELARXRH-CQSZACIVSA-N 405.292 3.475 0 40 HGAB CCN(CC)C(=O)C1(NC(=O)Nc2cccc(N3CCOC3=O)c2)CCCCC1 79059722 KCRTWUMAFKKNFV-UHFFFAOYSA-N 402.495 3.336 0 40 HGAB COC(=O)C[C@@H](NC(=O)C1CCN(C(=O)c2cccs2)CC1)c1ccc(C)cc1 32821111 FVLLUONCBOFFGK-GOSISDBHSA-N 414.527 3.329 0 40 HGAB COc1ccc(-n2c(CSc3nc(C)cc(C)n3)nnc2SCC(=O)O)cc1 4126560 VREQNGGBBSWBDJ-UHFFFAOYSA-N 417.516 3.152 0 40 HGAB CC1(C)O[C@H]2[C@H](O1)[C@H]1OC(C)(C)O[C@@H]1O[C@H]2C(=O)Nc1cccc(C(F)(F)F)c1 4303686 JPMRKXGFGGGORQ-JAAXMTQOSA-N 417.380 3.040 0 40 HGAB Cc1cccc2sc(NC(=O)CSc3nc4[nH]c(=O)cc(O)c4s3)nc12 4945389 IQSLXWPORHJVMD-UHFFFAOYSA-N 404.498 3.339 0 40 HGAB Cc1ccc(NC(=O)Cn2c(=O)n(Cc3ccco3)c(=O)c3ccccc32)cc1C 4999826 IWKWUBAYGULXFD-UHFFFAOYSA-N 403.438 3.060 0 40 HGAB NC(=O)c1c(NC(=O)COCc2cc(-c3ccco3)on2)sc2c1CCCC2 6876672 YKFOFZGMPLGFOS-UHFFFAOYSA-N 401.444 3.129 0 40 HGAB Cc1nnc(NC(=O)CCCC(=O)OCC(=O)Nc2cccc3ccccc23)s1 8474557 SHVYLFBFUYIJNI-UHFFFAOYSA-N 412.471 3.290 0 40 HGAB O=C(N[C@@H]1C[C@H]2CC[C@H]1C2)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2Cl)C1 105864643 YZBKVDPEILMMTR-IUVQAAGXSA-N 410.967 3.187 0 40 HGAB C[C@@]1(c2cccc(NC(=O)c3cc(C4CC4)nc4ccccc34)c2)NC(=O)NC1=O 47383950 YAVYJKFEEDYAKB-QHCPKHFHSA-N 400.438 3.419 0 40 HGAB COc1cc(OC)c([C@@H]2SCCN2S(=O)(=O)c2cccc(C)c2)cc1OC 855079 ANTVIGMAZNVPEH-IBGZPJMESA-N 409.529 3.457 0 40 HGAB COc1cc(OC)cc([C@@H](NC(=O)c2ccc3c(c2)OCCCO3)c2nccn2C)c1 24023127 VJNGVUIJERPLLX-OAQYLSRUSA-N 423.469 3.118 0 40 HGAB Cc1noc(N(S(=O)(=O)c2ccccc2)S(=O)(=O)c2ccccc2)c1Cl 1403444 ZRONRFOCUFRXBI-UHFFFAOYSA-N 412.876 3.221 0 40 HGAB O=C(NCc1ccccc1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1 20007634 VJXJBMLGERYFLO-NRFANRHFSA-N 412.486 3.032 0 40 HGAB CCc1ccc2c(CN3CCN(Cc4ccc5c(c4)OCO5)CC3)cc(=O)oc2c1 35741525 DSYCQXGWBCCMHP-UHFFFAOYSA-N 406.482 3.402 0 40 HGAB COc1ccc(-c2cc(C(=O)NCCc3ccc(OC)c(OC)c3)n[nH]2)c(OC)c1 57477356 FRHRIZHQAADOJI-UHFFFAOYSA-N 411.458 3.084 0 40 HGAB CC(=O)N1CCc2nc3cc([C@@H]4CCCCN4Cc4cccc(F)c4)nn3c(O)c2C1 100242994 PCYCETVCOLHGGX-NRFANRHFSA-N 423.492 3.206 0 40 HGAB CCOC(=O)C1=C(CN(CC)Cc2ccccc2)NC(=O)N[C@@H]1c1ccc(OC)cc1 57478329 RUTTZCABZYUCRO-JOCHJYFZSA-N 423.513 3.388 0 40 HGAB COc1cc(C2SCCS2)ccc1OC(=O)c1cccc(-n2cnnn2)c1 58411702 QOTZDZIEEMXCAK-UHFFFAOYSA-N 400.485 3.369 0 40 HGAB COC(=O)c1c(NC(=O)[C@H]2CC(=O)N(c3ccc(OC)cc3)C2)sc(C)c1C 28269881 LEAAFHDLHWYBFG-ZDUSSCGKSA-N 402.472 3.152 0 40 HGAB Cc1ccc(NC(=O)[C@H](C)N(C)CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)c(C)c1 11073787 KMKJIHREKGDYNE-ROUUACIJSA-N 422.529 3.326 0 40 HGAB C[C@@H](Cc1nnc(SCC(=O)Nc2ccc(Cl)cn2)n1N)c1ccccc1 3354427 ZKEOWFLUSMHWCV-LBPRGKRZSA-N 402.911 3.117 0 40 HGAB Cn1c(=O)n(C)c2cc(S(=O)(=O)N(Cc3ccccc3)c3ccccc3)ccc21 11615495 MSTQXNJCVOGCKT-UHFFFAOYSA-N 407.495 3.273 0 40 HGAB CCCNC(=O)c1cc(OC)c(OC)cc1NS(=O)(=O)c1ccc(OCC)cc1 12749603 CPCGGUKQXJIHOI-UHFFFAOYSA-N 422.503 3.043 0 40 HGAB CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1 3597842 WRAKMAJSFCGTLH-UHFFFAOYSA-N 410.451 3.493 0 40 HGAB CSCC[C@@H](NC(=O)c1ccccc1)C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 13018929 XQZSCXBMENBFQC-MAUKXSAKSA-N 414.527 3.187 0 40 HGAB Cc1cc(NS(=O)(=O)c2ccc(NC(=O)CC3(C(=O)O)CCCCC3)cc2)no1 13253751 DNYJLCAGGKMWFG-UHFFFAOYSA-N 421.475 3.148 0 40 HGAB COC(=O)NC1(c2nnnn2CCOC(=O)Nc2ccc(Cl)cc2)CCCCC1 4084317 VXGFIJHREJQWQR-UHFFFAOYSA-N 422.873 3.091 0 40 HGAB CS(=O)(=O)N(CC(=O)Nc1cccc(Cl)c1Cl)c1ccc2c(c1)OCO2 13565838 OEIJDJSWVSUQNT-UHFFFAOYSA-N 417.270 3.127 0 40 HGAB COC(=O)c1c(NC(=O)c2nn(-c3ccccc3)ccc2=O)sc2c1CCCC2 13656218 OODQSPCRDLWIFC-UHFFFAOYSA-N 409.467 3.212 0 40 HGAB COc1cc2c(cc1OC)CN(C(=O)CCC(=O)c1ccc3c(c1)OCCO3)CC2 6052131 ZKURMPDDRFMJCC-UHFFFAOYSA-N 411.454 3.023 0 40 HGAB CCN(C(C)=O)c1nc2ccccc2n(CC(=O)Nc2ccc(C)c(Cl)c2)c1=O 64987617 ULVOHVHBJGPRNZ-UHFFFAOYSA-N 412.877 3.370 0 40 HGAB Cc1ccc(NCC(=O)N2CCC[C@@H]2c2cccs2)cc1S(=O)(=O)N(C)C 8725790 HTYZMROVKSCSER-MRXNPFEDSA-N 407.561 3.082 0 40 HGAB CCOC(=O)CN(c1cccc(Cl)c1C)S(=O)(=O)c1ccc(NC(C)=O)cc1 113872683 DLFLANSYPRDGOZ-UHFFFAOYSA-N 424.906 3.365 0 40 HGAB CC[C@@]1(c2ccc(F)cc2)NC(=O)N(C[C@H](O)COc2ccc(C)cc2C)C1=O 14252282 ZSENTGPXRCSJDA-AVRDEDQJSA-N 400.450 3.040 0 40 HGAB Cc1cccc(NC(=O)CN(C[C@@H]2CCCO2)C(=O)c2cn3ccccc3n2)c1C 6578510 SAAHXTNXYMTPEV-SFHVURJKSA-N 406.486 3.211 0 40 HGAB CC1CCN(C(=O)[C@@H](C(=O)c2ccc(Br)cc2)n2ccccc2=O)CC1 4689630 DKVLCBZJUQRZGJ-GOSISDBHSA-N 417.303 3.293 0 40 HGAB Cc1ccc(NC(=O)c2nnn(Cc3cccc(F)c3)c2N)c(Br)c1 4852534 IPGWQFOMPBCKTQ-UHFFFAOYSA-N 404.243 3.371 0 40 HGAB Cc1ccc(-c2n[nH]c(SCC(=O)Nc3ccc(N4CCOCC4)cc3)n2)cc1 5868313 LPAGGVVAKLHGMG-UHFFFAOYSA-N 409.515 3.348 0 40 HGAB COc1ccc(C(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)cc1S(=O)(=O)N(C)C 15314361 FAWNQOGZAZMZEJ-HIGJEIRPSA-N 420.575 3.280 0 40 HGAB COc1ccc([C@]2(C)NC(=O)N(Cc3nnc(-c4ccc(Cl)cc4)o3)C2=O)cc1 8966147 MKZYYRMOCPNZEX-FQEVSTJZSA-N 412.833 3.366 0 40 HGAB CCn1c(S[C@H](C)C(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)nnc1C1CC1 7618756 QWIRDYXENOVPDW-CSNVJCEJSA-N 417.579 3.451 0 40 HGAB CCOC(=O)C[C@H](c1cccc(OC2CCCC2)c1)c1oc(CO)cc(=O)c1O 71284017 NYOPSMLTPQDWSZ-GOSISDBHSA-N 402.443 3.244 0 40 HGAB Cc1cc(NC(=O)CN(C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)no1 7985831 KGZKVRWRWZPZAF-UHFFFAOYSA-N 404.776 3.164 0 40 HGAB Cc1cc(-n2c(C)cc(C(=O)OCC(=O)NC3C4CC5CC(C4)CC3C5)c2C)no1 16685398 FTCNEHFBYXSTME-UHFFFAOYSA-N 411.502 3.488 0 40 HGAB Cc1c(CCC(=O)NCc2nc(-c3ccccc3)no2)c(=O)oc2cc(O)ccc12 9134576 KDRPCAROGNHLTB-UHFFFAOYSA-N 405.410 3.106 0 40 HGAB COc1ccccc1-c1nnc(SCC(=O)Nc2cccc3nsnc23)n1C 8298018 ZXQXWFPQPRUTBF-UHFFFAOYSA-N 412.500 3.226 0 40 HGAB O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1CSCN1S(=O)(=O)c1ccccc1 97124589 JXBWXMCIBJTMSO-OAHLLOKOSA-N 416.446 3.408 0 40 HGAB COc1cccc(C2=NO[C@]3(C(=O)Nc4ccccc43)[C@H]2C(=O)c2ccco2)c1OC 9409708 FIIIYFZIQSCGIP-JPYJTQIMSA-N 418.405 3.378 0 40 HGAB CCOC(=O)c1c(-c2cccs2)csc1NC(=O)COC(=O)c1cnccn1 9634037 PBDUMEJVKVUTKJ-UHFFFAOYSA-N 417.468 3.239 0 40 HGAB O=C(Cc1ccccc1)Nc1ccc(S(=O)(=O)NCC(=O)c2ccccc2)cc1 20094934 RFSBKVOBRCBZLQ-UHFFFAOYSA-N 408.479 3.029 0 40 HGAB Cc1ccc(CNC(=O)COC(=O)c2ccc(-n3cnc4ccccc43)nc2)cc1F 95454613 JQAYQVCTAJZQOQ-UHFFFAOYSA-N 418.428 3.341 0 40 HGAB COC(=O)CN1C(=S)N(c2ccc(OC)cc2)C(=O)/C1=C/c1ccc(C)s1 409055925 QLJLKTVCGWJEDP-YBEGLDIGSA-N 402.497 3.213 0 40 HGAB COc1ccc(-c2cc(N3CCC(NC(=O)c4ccc5[nH]cnc5c4)CC3)[nH]n2)cc1 98212802 XAPARMPEHINDHY-UHFFFAOYSA-N 416.485 3.360 0 40 HGAB Cc1cccc(S(=O)(=O)Nc2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)c1 89677901 HECUWNGLMMCXGC-UHFFFAOYSA-N 408.545 3.279 0 40 HGAB COc1cc(C)ccc1OCC(=O)OCc1cc(=O)n2c(n1)sc1ccccc12 24863907 HLLHNVXXJWCUNZ-UHFFFAOYSA-N 410.451 3.348 0 40 HGAB C[C@@H](NC(=O)Cn1cc(C(=O)C(=O)N2CCCC2)c2ccccc21)c1ccccc1 408572470 RFMWKSXBBSGRRE-QGZVFWFLSA-N 403.482 3.324 0 40 HGAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)c1 20460827 NIPJLWPJDYYLCK-KRWDZBQOSA-N 416.543 3.219 0 40 HGAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccc(F)c(Cl)c2)cc1C 408556857 DYQSLHMHVIBTSU-NSHDSACASA-N 400.859 3.102 0 40 HGAB O=C(Nc1ccc(Br)cc1F)c1cn(C[C@@H](O)c2ccccc2)nn1 77197161 HSDKZEDJDIGHCQ-MRXNPFEDSA-N 405.227 3.166 0 40 HGAB COc1ccc(N([C@H](C)C(=O)N[C@H]2CCCc3ccccc32)S(C)(=O)=O)cc1 36086290 NEFBBICZJHSSOB-QRWLVFNGSA-N 402.516 3.044 0 40 HGAB COC(=O)COc1cc(Br)c(C(=S)N2CCCCC2)cc1OC 33713438 RZJKJUSHMVCIRP-UHFFFAOYSA-N 402.310 3.171 0 40 HGAB Cc1cc(C)n(C[C@H](C)C(=O)Nc2ccccc2[C@H]2NC(=O)c3cccnc3N2C)n1 72347391 SZGVEVOTDPJVLF-QKKBWIMNSA-N 418.501 3.048 0 40 HGAB Cc1ccc(CN(C[C@H](O)COc2ccc(Cl)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 32593763 KOCORJAUWQZPKM-UXHICEINSA-N 423.962 3.077 0 40 HGAB O=C(NC1CCN(c2cc(-c3cccs3)[nH]n2)CC1)c1cnc(O)c(Cl)c1 225756653 HDSZEYHAIOXFSC-UHFFFAOYSA-N 403.895 3.291 0 40 HGAB COc1ccc(S(=O)(=O)Nc2cccc3ccccc23)cc1N1C(=O)CCC1=O 223904428 GQTRXPMRNXFPEA-UHFFFAOYSA-N 410.451 3.303 0 40 HGAB COc1ccccc1[C@@H](C)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 225313155 QGJTZTTVAYZLKV-KDOFPFPSSA-N 422.934 3.379 0 40 HGAB Cc1ccccc1OC[C@H](C)NC(=O)CCCN(c1ccccc1F)S(C)(=O)=O 222660941 DWRNLABKPPVCCD-KRWDZBQOSA-N 422.522 3.264 0 40 HGAB CC[C@@H](C(=O)Nc1cccc(C(=O)OC)c1)N(c1cc(C)ccc1C)S(C)(=O)=O 220546527 DBZHTYWKSOSFSU-SFHVURJKSA-N 418.515 3.273 0 40 HGAB CC[C@@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)COc1cccc(Cl)c1 223457146 HINSBNGZZQEBOQ-IBGZPJMESA-N 404.894 3.281 0 40 HGAB O=C1C[C@H](N2CCN(Cc3ccccc3)CC2)C(=O)N1c1ccc(Cl)cc1Cl 96308956 BPFWNHXBXCTAQZ-IBGZPJMESA-N 418.324 3.443 0 40 HGAB O=C1c2ccccc2CN1CCC(=O)N1CCCC2=C[C@H]3C[C@@H](CN4CCCC[C@H]34)[C@@H]21 583647567 KMWOXVJLEQBKSZ-JKBGKOONSA-N 419.569 3.454 0 40 HGAB biogenic COc1cccc(N(CC(=O)N[C@H](C)c2cc(C)c(C)cc2C)S(C)(=O)=O)c1 260915003 CEONRVWSBBXSRI-QGZVFWFLSA-N 404.532 3.264 0 40 HGAB Cc1ccc(N([C@@H](C)C(=O)N[C@H](C)COc2ccccc2C)S(C)(=O)=O)cc1C 260453291 IPVSYKFIZPGHGI-MOPGFXCFSA-N 418.559 3.350 0 40 HGAB COc1cccc2cc(C(=O)N3CCC(n4nnc5ccsc5c4=O)CC3)oc12 390828271 ARKCSELWXQLEAR-UHFFFAOYSA-N 410.455 3.085 0 40 HGAB COc1cc(CN(C)C[C@H](O)COC2CCCCC2)ccc1OCCCN(C)C 585272411 KQMVXTIGSBCUOE-FQEVSTJZSA-N 408.583 3.168 0 40 HGAB Cc1ccc(N2CCCC2=O)cc1S(=O)(=O)Nc1cccc(N2CCCC2=O)c1 12117107 HZQUCFBOCJYFOM-UHFFFAOYSA-N 413.499 3.049 0 40 HGAB COC(=O)C1=C(C)N(c2ccc3c(c2)OCCO3)C(=S)N[C@@H]1c1cccc(F)c1 12552162 HTRDYTVCIZLWEO-LJQANCHMSA-N 414.458 3.480 0 40 HGAB Cc1cnc(C(=O)NCCn2nc(-c3ccc(F)cc3)cc2-c2cccnc2)cn1 19238997 CWTAAJJKBJRGLS-UHFFFAOYSA-N 402.433 3.280 0 40 HGAB Cn1nccc1C(=O)N1CCC[C@](Cc2ccccc2-c2cccs2)(C(N)=O)C1 19289109 KHYPNAXXJAHZEE-JOCHJYFZSA-N 408.527 3.099 0 40 HGAB C[C@@H](CCC(=O)N[C@H](c1ccc(Cl)cc1)c1cccnc1)N1CCN(C)CC1 19455588 BGEWVEZQVKTWKK-HTAPYJJXSA-N 400.954 3.357 0 40 HGAB CCN1CCN(C(=O)Cn2cccn2)C[C@@H](Cc2ccc(-c3ccccc3)cc2)C1=O 19527330 ZABVBHIAFLPXDC-HSZRJFAPSA-N 416.525 3.100 0 40 HGAB CN(C)c1ncc(-c2ccc(F)cc2)c([C@@H]2CCCN(C(=O)c3ccc(N)nc3)C2)n1 19694265 ZHFIRPTYAQTEDH-QGZVFWFLSA-N 420.492 3.346 0 40 HGAB COc1ccc(-c2cnc(N(C)C)nc2[C@H]2CCCCN2CC(=O)N2CCCC2)cc1 19694412 XWDBNQWWLWEOJJ-OAQYLSRUSA-N 423.561 3.368 0 40 HGAB Cc1cc(C)cc(C2(C(=O)N3C[C@H](c4ccc(CN)cc4)[C@@H](C(N)=O)C3)CCCC2)c1 19698694 LUOIYZTXBGZBRY-PKTZIBPZSA-N 419.569 3.301 0 40 HGAB COc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)Cn3cc(C)cn3)CC2)c1 19746974 BTLUAVVZQRYZDX-JOCHJYFZSA-N 424.545 3.134 0 40 HGAB CCOc1ccc(CC(=O)N2CCC[C@H]([C@@H]3C[C@H](C(F)F)n4ncnc4N3)C2)cc1 12182049 RMMQMAQFLQWSDS-RYQLBKOJSA-N 419.476 3.149 0 40 HGAB C[C@H](C(=O)N1CCN(c2cccc(Cl)c2Cl)CC1)n1nc(C2CC2)ccc1=O 575609364 WUNFOPBBGCNDGX-CYBMUJFWSA-N 421.328 3.337 0 40 HGAB Cc1ccc(OC[C@@H]2CCN(S(=O)(=O)Cc3cccc(C(F)(F)F)c3)C2)nn1 1888890771 OZCKTIAQALIWKB-OAHLLOKOSA-N 415.437 3.035 0 40 HGAB Cc1cc(C(=O)N2CCC(COc3ccc4nc(C5CC5)cn4n3)CC2)ncc1F 1888897563 WOTZAWAENNYKOW-UHFFFAOYSA-N 409.465 3.380 0 40 HGAB Cc1cc(C)n(-c2cc(N3CCN(c4cccc(C(F)(F)F)n4)CC3)nc(C)n2)n1 1888901262 ORLNYJNNNOPVPM-UHFFFAOYSA-N 417.439 3.328 0 40 HGAB Cc1cc(=O)c(C(=O)NC[C@H](c2ccsc2)N(C)C)nn1-c1ccc(Cl)cc1 25813074 RPUOOLNRDFGYOU-QGZVFWFLSA-N 416.934 3.289 0 40 HGAB O=C(NCc1nnc2ccc(-c3ccsc3)nn12)c1cc(O)nc2ccccc12 245180699 ZHGUYCSAHBVSTL-UHFFFAOYSA-N 402.439 3.037 0 40 HGAB Cc1ccc(-n2c(C)c(C)n3c4c(=O)n(CCC(C)C)c(=O)n(C)c4nc23)c(C)c1 4370501 RFTUDOYAZFNZSQ-UHFFFAOYSA-N 407.518 3.418 0 40 HGAB CCOC(=O)CCNC(=O)N1CCn2cccc2[C@H]1c1ccc(Br)cc1 5256129 LLKXBWNUNHKLRS-GOSISDBHSA-N 420.307 3.318 0 40 HGAB CC(C)NC(=O)N1C[C@H]2CC[C@@H](CNC(=O)CCc3ccc[nH]3)N2Cc2ccccc21 2055747105 ITRHQEOMACGRAG-LEWJYISDSA-N 423.561 3.035 0 40 HGAB CCn1c(C)cc(O)c([C@H](c2ccncc2)N2CCN(c3ccccc3F)CC2)c1=O 22697514 QKAMKGUZRYQZEF-QHCPKHFHSA-N 422.504 3.328 0 40 HGAB CC(C)C(=O)Nc1ccc(S(=O)(=O)NCC2CCN(C3CCCC3)CC2)cc1 23127618 CLANQAXATNJOBL-UHFFFAOYSA-N 407.580 3.214 0 40 HGAB CCN(Cc1ccc(C(F)(F)F)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 10431748 ZLTAFYSPYMMXPY-UHFFFAOYSA-N 418.419 3.212 0 40 HGAB COc1ccc2c(c1)CCCN2C(=O)CS[C@@H]1CC(=O)N(c2ccccc2)C1=O 40017444 YWGRPDMPLKREOM-LJQANCHMSA-N 410.495 3.040 0 40 HGAB CCc1cccc(CC)c1NC(=O)COC(=O)c1sccc1NS(C)(=O)=O 40138922 WNTOXTMCKGSFKX-UHFFFAOYSA-N 410.517 3.040 0 40 HGAB C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@H](CN4CCN(C5CCCCC5)CC4)[C@H]3[C@@H](O)[C@@]21C 20411335 FXYPTAKKGKQTFF-DHRDOYSISA-N 416.606 3.222 0 40 HGAB biogenic COCCN1CNC2=N[C@@H](c3cc(Cl)ccc3F)n3c(nc4ccccc43)N2C1 31810496 LVUMJAABAVPMEI-GOSISDBHSA-N 414.872 3.018 0 40 HGAB CCCCCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(OC)c(F)c2)c1=O 51357771 ATDSBKFKSLMRBG-UHFFFAOYSA-N 413.449 3.140 0 40 HGAB CC[C@@H](C)OC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(Br)c(O)c(OC)c1 1060168 LHCZJURZWCADTN-CLAHSXSESA-N 413.268 3.133 0 40 HGAB C[C@H]1CCC[C@H](C)N1S(=O)(=O)c1ccc(S(=O)(=O)NCc2ccccc2)cc1 1368328 HVISMKKYMZVUSQ-IRXDYDNUSA-N 422.572 3.117 0 40 HGAB Cc1ccc2c(c1)cc(CN(CCc1ccccc1)C(=O)c1cnccn1)c1nnnn12 1377025 FNFKPFFUZUBIHY-UHFFFAOYSA-N 423.480 3.261 0 40 HGAB Cc1ccc2c(c1)[C@@]1(S[C@H](CC(=O)O)C(=O)N1c1ccc(Cl)cc1)C(=O)N2 1610108 JACIJGQBKSMLHZ-DNVCBOLYSA-N 402.859 3.377 0 40 HGAB COC[C@H](C)OC(=O)c1c(N)n(Cc2ccccc2OC)c2nc3ccccc3nc12 2297307 BIGUQOQFURNUBW-AWEZNQCLSA-N 420.469 3.415 0 40 HGAB COCCCNC(=S)N(Cc1cc2cc(C)cc(C)c2[nH]c1=O)C[C@H]1CCCO1 4132144 ONIOBDTXNXDINE-LJQANCHMSA-N 417.575 3.037 0 40 HGAB COc1ccc(OC)c(S(=O)(=O)NCCc2csc(-c3ccccc3)n2)c1 4166875 WDNUWHMBIWGMQQ-UHFFFAOYSA-N 404.513 3.348 0 40 HGAB CCOC(=O)c1csc(N2N=C(c3ccc(OC)cc3)C[C@@]2(O)C(F)(F)F)n1 4478280 BMUWOTCQDWKACE-MRXNPFEDSA-N 415.393 3.194 0 40 HGAB C[C@@H]1CCCN(C(=O)CSc2nc3ccccc3n2CC(=O)N2CCCCC2)C1 4859167 HCEAETYPWANZSQ-QGZVFWFLSA-N 414.575 3.399 0 40 HGAB Cn1c(SCCN2CCCC2)nnc1[C@H]1CCCN1C(=O)NC1CCCCC1 5001592 URMJFPBBJRRFSF-QGZVFWFLSA-N 406.600 3.182 0 40 HGAB CC(=O)c1cc2c(cc1NC(=O)COC(=O)c1cc3ccccc3cc1O)OCO2 5079432 HSCGMNVTQIQGLU-UHFFFAOYSA-N 407.378 3.272 0 40 HGAB O=C(Cc1ccc(Cl)cc1Cl)N1CCN(S(=O)(=O)c2ccccc2)CC1 5172275 BQGWFFSZNXXVFK-UHFFFAOYSA-N 413.326 3.069 0 40 HGAB CCn1nnc2cc(C(=O)O[C@H](C)C(=O)Nc3cc(Cl)ccc3OC)ccc21 5805107 VNHRBBSFEUDTQM-LLVKDONJSA-N 402.838 3.297 0 40 HGAB COc1ccc(NC(=O)CN(C)[C@@H](C)C(=O)Nc2ccc(Br)cc2)cc1 6542066 QVSZZFXZLWLMOU-ZDUSSCGKSA-N 420.307 3.355 0 40 HGAB Cc1cccc(N2CCN(C(=O)Cc3c(C)c4c(O)cc(O)cc4oc3=O)CC2)c1C 6660592 RVZSRJRAVHFVPQ-UHFFFAOYSA-N 422.481 3.021 0 40 HGAB Cc1c(C)c(C)c(S(=O)(=O)N2CCN(C(=O)C[C@H]3C=CCC3)CC2)c(C)c1C 8095622 BRPRYLMNBWXKDW-FQEVSTJZSA-N 404.576 3.418 0 40 HGAB Cc1cc(=O)n2nc(CSc3nnc(-c4cccs4)n3C3CC3)sc2n1 8255917 AANNVRKVDYZIBX-UHFFFAOYSA-N 402.530 3.407 0 40 HGAB CC[C@@H](c1nnc(S[C@H](C)C(=O)NC2CC2)n1-c1ccc(OC)cc1)N(C)C 8427806 FBTCVPVSQQZIEI-DYVFJYSZSA-N 403.552 3.048 0 40 HGAB CCn1c(SCC(=O)NCc2ccc(Cn3cccn3)cc2)nnc1-c1ccco1 8748025 CHOKWOGBEVZAJE-UHFFFAOYSA-N 422.514 3.211 0 40 HGAB COc1ccc(-n2nc3c(c2NC(=O)c2cc4ccccc4o2)CS(=O)(=O)C3)cc1 8910364 CSTHFUOKGBTVRO-UHFFFAOYSA-N 423.450 3.308 0 40 HGAB CCOc1ccc2nc(NC(=O)CCNS(=O)(=O)c3ccc(F)cc3)sc2c1 9342668 NWDFOYUIIHXYES-UHFFFAOYSA-N 423.491 3.141 0 40 HGAB COc1cc(S(=O)(=O)Nc2ccccc2F)cc(C(=O)N[C@@H](C)C2CC2)c1OC 9515175 FVEJBYQOWPIPDJ-LBPRGKRZSA-N 422.478 3.172 0 40 HGAB CC(=O)N[C@H](C)CCc1ccc(-c2csc(NC(=O)C3=COCCO3)n2)cc1 9864258 HFRILUFPBXLMPS-CYBMUJFWSA-N 401.488 3.094 0 40 HGAB O=C(CCn1c(=O)oc2ccccc21)Nc1ccc2nc(N3CCOCC3)sc2c1 9874921 AHKNLIYKTRDEGP-UHFFFAOYSA-N 424.482 3.070 0 40 HGAB Cc1nc(C(=O)Nc2cc(C(N)=O)ccc2N2CCCC2)nn1-c1ccc(Cl)cc1 9905829 GAPKZUDZFJTDSV-UHFFFAOYSA-N 424.892 3.181 0 40 HGAB Cc1cc(NC(=O)[C@H](C)Sc2nnc(COc3ccc(Cl)cc3)n2C)no1 10619743 CTBOSVMPOWIUNE-NSHDSACASA-N 407.883 3.463 0 40 HGAB CCOC(=O)C1=C(CSc2nncs2)NC(=O)N[C@H]1c1ccc(Cl)cc1 11393712 NEHXMEZVOSOCBI-ZDUSSCGKSA-N 410.908 3.155 0 40 HGAB COc1ccccc1-n1nnc(-c2nc(-c3ccc(Br)cc3)no2)c1N 11691837 UQVHRPQNYLQTMG-UHFFFAOYSA-N 413.235 3.338 0 40 HGAB CSc1ncc(C(=O)N(C)Cc2nc3ccccc3c(=O)[nH]2)n1-c1ccc(F)cc1 12535845 DNYPAEHPAXNJMG-UHFFFAOYSA-N 423.473 3.242 0 40 HGAB Cc1cc(NC(=O)CN(C)CC(=O)Nc2cccc(F)c2)n(-c2ccccc2C)n1 12760830 FSZOKBCQBLGVCL-UHFFFAOYSA-N 409.465 3.137 0 40 HGAB CCCCCC(=O)N(Cc1ccccc1OC)c1c(N)n(CCCC)c(=O)[nH]c1=O 12801936 MRUNKMAULQJNGQ-UHFFFAOYSA-N 416.522 3.041 0 40 HGAB FC(F)(F)c1ccc(CN2CCCN(c3nnnn3-c3ccccc3)CC2)cc1 12805685 IMOTZGQNYFMQHC-UHFFFAOYSA-N 402.424 3.393 0 40 HGAB COc1ccc(NC(=O)CN(C)C(=O)[C@H](C)Oc2ccc(Br)cc2)cc1 12850890 FBOJTHFGVGSUSW-ZDUSSCGKSA-N 421.291 3.322 0 40 HGAB COC(=O)c1sc(NC(=O)CCN(C)Cc2cccs2)c(C(=O)OC)c1C 14197341 HUKJGCUTRMRFBV-UHFFFAOYSA-N 410.517 3.152 0 40 HGAB C[C@@H]1Oc2ccc(NC(=O)C3CCN(C(=O)c4ccc(F)cc4)CC3)cc2NC1=O 14197630 ZOGFJYHTBUBTNK-ZDUSSCGKSA-N 411.433 3.036 0 40 HGAB O=C(Cn1nnc(COc2ccccc2)n1)Nc1ccc(OC(F)F)c(Cl)c1 15586027 ZMVZDSKXOMLRQW-UHFFFAOYSA-N 409.780 3.146 0 40 HGAB CC1(C)c2[nH]c3ccccc3c2C[C@@H]2C(=O)N(/N=C/c3cccc(F)c3)CC(=O)N21 16031478 GYSJRTKQSXQMAW-QZUPYORJSA-N 404.445 3.172 0 40 HGAB CN(C)S(=O)(=O)c1ccc(C(=O)OCc2cc(-c3ccc(F)cc3F)on2)cc1 16913835 FTOBJZZFMVLNGO-UHFFFAOYSA-N 422.409 3.227 0 40 HGAB COc1ccc(Br)cc1/C=C/C(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O 17090194 VXZPEALDSCFOSJ-FPYGCLRLSA-N 415.243 3.335 0 40 HGAB CC(C)C(=O)N1CCO[C@@](Cc2ccccc2-c2ccc(F)cc2)(C(=O)N(C)C)C1 19085845 XIEIADXFGOQPRA-XMMPIXPASA-N 412.505 3.377 0 40 HGAB COc1cc(C(C)=O)ccc1OC[C@@H](O)CN1CCN(c2cccc(C)c2C)CC1 19235634 MFPRNNYSQKRCGJ-NRFANRHFSA-N 412.530 3.077 0 40 HGAB NC(=O)[C@@]1(Cc2cccc(-c3cccnc3)c2)CN(C(=O)CC2CCCCC2)CCO1 19331465 BNWMPEAZLUAQBG-RUZDIDTESA-N 421.541 3.344 0 40 HGAB CCCCN(C)C(=O)c1ccc2c(=O)n3c(nc2c1)CCN(Cc1ccccc1)CC3 19502219 RHOYPQWDPTWCRS-UHFFFAOYSA-N 418.541 3.327 0 40 HGAB CCn1cc(C(=O)N2CC[C@H](c3cc4nc(C)cc(C(F)(F)F)c4c(=O)[nH]3)C2)cn1 19524852 JYJVUNOTDIACOX-LBPRGKRZSA-N 419.407 3.096 0 40 HGAB COc1cc(CN2CCC([C@@H]3CNC(=O)c4ccccc43)CC2)cc(OC)c1OC 19549690 JJHXRAYUPDDPPC-FQEVSTJZSA-N 410.514 3.452 0 40 HGAB Cc1sc2ncnc(NCCC(=O)Nc3ccc4c(c3)NC(=O)[C@H](C)O4)c2c1C 19561671 YDOPOKLTADPESH-NSHDSACASA-N 411.487 3.468 0 40 HGAB O=C(Nc1nc(-c2ccc3c(c2)CCO3)cs1)[C@H](Cc1ccccc1)n1cnnn1 19663436 LZSQPZXWWWWBOA-SFHVURJKSA-N 418.482 3.154 0 40 HGAB CC(=O)N1CCC(C(=O)Nc2nc(-c3cn(C)nc3-c3ccccc3)cs2)CC1 19697056 MEDKZYRHZQHMFU-UHFFFAOYSA-N 409.515 3.408 0 40 HGAB CC(=O)c1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccccc3C)C2)c1 19858159 ZIWOPCFYBYDZMG-IBGZPJMESA-N 414.527 3.378 0 40 HGAB CCN(CC(=O)Nc1ccc(F)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1 20014610 IWNYMLOERWVFLW-UHFFFAOYSA-N 404.385 3.494 0 40 HGAB O=C(CSc1nc2ccccc2c(=O)n1CCCN1CCOCC1)c1ccccc1 21728444 ZMPDMXLRIZZYEW-UHFFFAOYSA-N 423.538 3.094 0 40 HGAB CCOc1ccc2c(c1)c(=O)c(C(=O)N1CCN(c3ccc(F)cc3)CC1)cn2C 22237318 QKQKOUXLJYUGJB-UHFFFAOYSA-N 409.461 3.039 0 40 HGAB COCCOc1cc(NC(=O)CCCn2c(=O)oc3ccccc32)ccc1OC 24937989 OVTIVHGTFMMUES-UHFFFAOYSA-N 400.431 3.047 0 40 HGAB O=C(NC[C@H]1CCN(c2ccccc2)C1)[C@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 27843693 VGYSQCUQLDXTOE-NQIIRXRSSA-N 403.526 3.171 0 40 HGAB CCOC(=O)N1CCN(C(=O)/C=C/c2ccccc2OCc2csc(C)n2)CC1 29646389 RIEQFPURDIPXAA-CMDGGOBGSA-N 415.515 3.344 0 40 HGAB COc1ccc(-c2nn3c(c2C)NC(=O)C[C@H]3C(=O)Nc2cccc(OC)c2)cc1 32103668 CGIRMINVTSGBJS-SFHVURJKSA-N 406.442 3.398 0 40 HGAB COc1cc(/C=C/C(=O)N(C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc(OC)c1 32754228 DGZPQJAWHJMORF-VQCVXAJWSA-N 403.500 3.340 0 40 HGAB CCOC(=O)C1CCN(C(=O)[C@H]2CCCN(c3ccc(-c4ccccc4)nn3)C2)CC1 35398669 VCIOTJBDOSBCSV-FQEVSTJZSA-N 422.529 3.162 0 40 HGAB CCn1ncc(-c2noc3nc(C4CC4)cc(C(=O)N4CCC[C@H]4C(=O)OC)c23)c1C 36618903 GIILHFUTAZLIQD-KRWDZBQOSA-N 423.473 3.070 0 40 HGAB O=S(=O)(NCCc1cccnc1)c1ccc(Br)cc1Br 37718798 HTAMSPJUTVVPDX-UHFFFAOYSA-N 420.126 3.128 0 40 HGAB COc1cccc(N2CCN(C(=O)C[C@H](NC(C)=O)c3ccc(Cl)cc3)CC2)c1 39977610 DQYLERORAKGMRF-NRFANRHFSA-N 415.921 3.265 0 40 HGAB C[C@@H](C(=O)N1CC(=O)Nc2ccccc21)N(C)Cc1ccc(OC(F)(F)F)cc1 40063155 IGCLSNFBECLUBW-ZDUSSCGKSA-N 407.392 3.391 0 40 HGAB C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)C(F)(F)c3ccccc3)cc2)C[C@H](C)O1 40140496 ZMAHGEBTSUPTHJ-GJZGRUSLSA-N 424.469 3.215 0 40 HGAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)N[C@@H](CC(C)C)c1ccccc1)O2 44937009 BUVIGWNXFIWQCS-RXVVDRJESA-N 416.543 3.426 0 40 HGAB COc1ccc(S(=O)(=O)NCc2cc3cc(C(C)C)ccc3[nH]c2=O)c(OC)c1 49597343 DVTRCNVLSKRDDL-UHFFFAOYSA-N 416.499 3.147 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2cccnc2N2CCN(C)CC2)cc1 72216620 IUSHXNZPWILVGY-OAQYLSRUSA-N 414.575 3.058 0 40 HGAB Cc1nc(C2CCN(CC(=O)N[C@H](c3ccc(F)cc3)c3cccs3)CC2)n[nH]1 78742916 LRZMYHMTRXPIDS-HXUWFJFHSA-N 413.522 3.399 0 40 HGAB CCOC(=O)Nc1ccc2c(Cn3cnc4c(C)cccc4c3=O)cc(=O)oc2c1 79102787 BWPCGCMIOQHPJD-UHFFFAOYSA-N 405.410 3.428 0 40 HGAB COc1cccc(C(=O)NC(=S)Nc2cc(C(=O)O)ccc2Br)c1 85342845 OYENHMAEEVRCQQ-UHFFFAOYSA-N 409.261 3.283 0 40 HGAB COc1cc(NC(=O)N2CCOC[C@@H]2C[C@@H](O)c2ccccc2)ccc1NC(C)=O 89265521 ULRBFXUBDMRXKR-AZUAARDMSA-N 413.474 3.010 0 40 HGAB COc1ccc([C@@H]2SCC(=O)Nc3c2c(O)nn3[C@H]2CCOC(C)(C)C2)cc1O 96232202 CLHUUXOTLYYHHH-SJCJKPOMSA-N 419.503 3.208 0 40 HGAB COc1ccc(-c2cc(N3CCC(NC(=O)c4cccc(OC)c4)CC3)[nH]n2)cc1 98212762 RVZYSKWVHLSKQK-UHFFFAOYSA-N 406.486 3.493 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(C(=O)/N=c2/sc3cc(C)ccc3n2C)cc1 100812029 XUDVFLXGTSRMFS-QZQOTICOSA-N 417.556 3.320 0 40 HGAB O=Cc1ccc(OC(=O)c2ccc(N3C(=O)[C@H]4[C@@H]5C=C[C@H]([C@H]6C[C@H]56)[C@@H]4C3=O)cc2)cc1 102076050 VFBIPGBKNXVZSJ-VXAPCQRLSA-N 413.429 3.276 0 40 HGAB COc1ccc(Cl)cc1N1C[C@@H](C(=O)/N=c2/sc3ccccc3n2C)CC1=O 104992337 XRQFWQSLHKNYJU-UXZWAWMISA-N 415.902 3.382 0 40 HGAB CC(=O)Nc1cccc(NC(=O)c2ccc(CS(=O)(=O)N3CCCCC3)cc2)c1 216451749 BWEYNZBTKPBBLC-UHFFFAOYSA-N 415.515 3.213 0 40 HGAB CC[C@@H](C(=O)N[C@H](C)c1ccc(C)cc1)N(c1cccc(OC)c1)S(C)(=O)=O 220631084 TYUODYMVDWULGZ-UZLBHIALSA-N 404.532 3.426 0 40 HGAB CCOc1ccc(N([C@H](CC)C(=O)N2CCc3ccccc32)S(C)(=O)=O)cc1 220675884 AXLWLRYJIMRHSW-LJQANCHMSA-N 402.516 3.219 0 40 HGAB Cc1ccccc1OC[C@@H](C)NC(=O)c1cccc(N2CCCCS2(=O)=O)c1 222561539 YKWMNAIQCMCFFG-QGZVFWFLSA-N 402.516 3.122 0 40 HGAB COC(=O)c1cc(S(=O)(=O)N2CCN(c3cc(Cl)ccc3C)CC2)ccc1C 223859643 KFFSRTGBJUIBEE-UHFFFAOYSA-N 422.934 3.254 0 40 HGAB CC[C@H](NC(=O)c1ccc(N(C)S(=O)(=O)N(C)C)cc1)c1ccc(OC)c(C)c1 224607619 XNKOVZNXDUEQMA-IBGZPJMESA-N 419.547 3.127 0 40 HGAB COc1ccc(S(=O)(=O)N(C)c2ccc3c(c2)OCO3)cc1Br 224881158 JZNYDIIJNOVEKH-UHFFFAOYSA-N 400.250 3.012 0 40 HGAB CCc1ccc(OCCNS(=O)(=O)c2ccc(SC)c(NC(C)=O)c2)cc1 225166662 RQBQCNROWKSSQP-UHFFFAOYSA-N 408.545 3.287 0 40 HGAB COc1ccccc1OCC(=O)N(Cc1ccc(F)cc1)[C@H](C)C(=O)NC(C)C 225574769 PYMFDRWGENOGEA-MRXNPFEDSA-N 402.466 3.155 0 40 HGAB C[C@H](Cc1ccc2c(c1)CCO2)NS(=O)(=O)c1ccc(Br)s1 225602838 HNZPRFYKAASFBY-SNVBAGLBSA-N 402.335 3.355 0 40 HGAB CC(C)n1c(=O)sc2cc(S(=O)(=O)N3CCN(c4ccccc4)CC3)ccc21 225703610 LUBOUZUFYOAMMW-UHFFFAOYSA-N 417.556 3.155 0 40 HGAB COc1ccc(N(C)C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)cc1 226077967 BPPDXOXTLVHMFU-OAHLLOKOSA-N 422.934 3.412 0 40 HGAB O=C(c1cc(O)nc2ccccc12)N1CC[C@H](Oc2ncccc2Br)C1 238867111 MANAPEBSOYGYOF-LBPRGKRZSA-N 414.259 3.391 0 40 HGAB Cc1nc([C@H]2CCCN(Cc3ccncc3)C2)nc(C)c1CC(=O)N1CCCCC1 257306156 STDWTPHEJZLHFQ-NRFANRHFSA-N 407.562 3.423 0 40 HGAB COc1ccc2c(c1)C=C(CN1CCO[C@@H](c3cccc(-c4cncnc4)n3)C1)CO2 257315146 VABNIUBKFIMTMH-XMMPIXPASA-N 416.481 3.397 0 40 HGAB O=C(Cc1ccc2c(c1)CCCO2)N1CC2(C1)OCC[C@H]2CCOCc1ccccn1 306130586 JKGODVNTNGQVET-OAQYLSRUSA-N 422.525 3.174 0 40 HGAB O=C1N(Cc2ccccc2)C[C@@]2(F)CN(Cc3cc(F)c(O)c(Cl)c3)C[C@@]12F 306143244 XWZDAHWROOKMLD-VQTJNVASSA-N 410.823 3.459 0 40 HGAB COC(=O)COc1ccc(/C=C2/SC(=O)N(C(C)C)C2=O)cc1Br 409016189 DUSLXAVCWIHPTN-NTUHNPAUSA-N 414.277 3.446 0 40 HGAB O=C(O)c1ccc(CSc2nnc(CN3CCOCC3)n2-c2ccccc2)cc1 409214364 SSAGUKXUKAHDIO-UHFFFAOYSA-N 410.499 3.090 0 40 HGAB CN1c2ccc(F)cc2N(CCNC(=O)C2(c3cccs3)CCCC2)S1(=O)=O 575612067 JYQOBWACMVBGKN-UHFFFAOYSA-N 423.535 3.016 0 40 HGAB O=C1CO[C@@]2(CCCN(C(=O)C3(C(F)(F)F)CC3)CC2)CN1c1ccc(F)cc1 2037988476 MWAFLAGWNYSZNT-GOSISDBHSA-N 414.399 3.283 0 40 HGAB COc1ccc([C@@H]2CCCN2C(=O)CN2C(=O)CCOc3ccccc32)c(OC)c1 32744739 SWLPWNBOFNRWTO-SFHVURJKSA-N 410.470 3.183 0 40 HGAB C[C@H]1Cc2cc(C(=O)OCCOc3ccc(Cl)cc3)ccc2N1S(C)(=O)=O 32860368 BAQZQMUNQPMUTP-ZDUSSCGKSA-N 409.891 3.286 0 40 HGAB CC(=O)c1cc(C(=O)N2CCN(Cc3csc(-c4ccccc4)n3)CC2)n(C)c1 32904554 WVGUKNZNNKLLGL-UHFFFAOYSA-N 408.527 3.309 0 40 HGAB Cc1cc(NC(=O)CCN2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@@H]3C2=O)cc(C)c1Br 4553383 OOVJJFNIUMVXPZ-RMHZUWNSSA-N 419.319 3.426 0 40 HGAB Cc1occc1-c1nnc(SCC(=O)N2CCOCC2)n1-c1cccc(Cl)c1 4851840 SKIPHWOXBMRDOL-UHFFFAOYSA-N 418.906 3.440 0 40 HGAB CCCN1C(=O)S/C(=C/c2cc(Br)ccc2OCC(=O)OC)C1=O 6656111 XMKNHDBVYGVZTN-MDWZMJQESA-N 414.277 3.447 0 40 HGAB CN(Cc1ccc(C(F)(F)F)cc1)C(=O)CCCN1C(=O)NC2(CCCC2)C1=O 7312875 LVWPLZVBRSXVLZ-UHFFFAOYSA-N 411.424 3.309 0 40 HGAB CCN1CCN(Cc2ccc(NC(=O)c3cccc(Cn4ccnc4)c3)cc2)CC1 52877279 UYLDSXIEHZBOFR-UHFFFAOYSA-N 403.530 3.321 0 40 HGAB Cc1ccc(N2C(=O)C[C@H](C(=O)NCc3nnc4n3CCC4)[C@@H]2c2cccs2)cc1 22192369 XZDUADNMSFYQKE-HRAATJIYSA-N 421.526 3.005 0 40 HGAB O=C(Cn1cnc2scc(-c3ccccc3)c2c1=O)NC(=O)NC1CCCCC1 8241523 OFZDXHQJUZVZBH-UHFFFAOYSA-N 410.499 3.284 0 40 HGAB CC(=O)c1ccc(NC(=O)CCCC(=O)OCC(=O)N[C@@H](C)c2ccccc2)cc1 8412666 UOVJGGVSDGIEHO-INIZCTEOSA-N 410.470 3.419 0 40 HGAB O=C(Cc1c(F)cccc1Cl)NCCN1C(=O)S/C(=C/c2cccnc2)C1=O 33594622 OENBMZPFAXEXAJ-CXUHLZMHSA-N 419.865 3.269 0 40 HGAB CNc1ccccc1C(=O)[C@@]1(C)[C@@H](C(=O)NC2CCCC2)[C@H]1C(=O)NC1CCCC1 100219829 PFSYAXUIWHJAQU-GZOXUSKESA-N 411.546 3.281 0 40 HGAB O=C(CN1CCN(Cc2c(F)cccc2Cl)CC1)N1CCc2sccc2C1 23261480 CMDQVSNSGPDTJH-UHFFFAOYSA-N 407.942 3.243 0 40 HGAB Cc1ccc(CN(CCc2ccccc2)S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)s1 104677122 MONWDMCOIPLJGM-IRXDYDNUSA-N 408.589 3.455 0 40 HGAB COc1cc(F)c(S(=O)(=O)N(C)Cc2ccccc2N2CCCC2)cc1OC 27962746 KQAKLRMOBZAIEV-UHFFFAOYSA-N 408.495 3.264 0 40 HGAB CCOc1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccc(F)cc3)CC2)cc1 24610054 DPCCDXNTPLUTOC-UHFFFAOYSA-N 420.506 3.405 0 40 HGAB CNC(=O)c1ccc(NC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 24601485 QZMVMSCZKCDOBO-UHFFFAOYSA-N 406.408 3.315 0 40 HGAB COc1ccc([C@H](NC(=O)CCc2nc(-c3ccsc3)no2)c2nccn2C)cc1 12548133 VRYXVXVQYYGGHF-IBGZPJMESA-N 423.498 3.379 0 40 HGAB CC(=O)N1CCc2nc3cc([C@@H]4CCCCN4C[C@H]4CC=CCC4)nn3c(O)c2C1 100243138 JKEUSCCXKRDTLI-UWJYYQICSA-N 409.534 3.223 0 40 HGAB O=C(CCS(=O)(=O)c1ccc2c(c1)OCCCO2)Nc1cccc(Cl)c1F 72294605 QMUNXPZEGCSTRK-UHFFFAOYSA-N 413.854 3.443 0 40 HGAB Cc1ccccc1N(CC(=O)N1CCc2c([nH]c3ccccc23)[C@H]1C)S(C)(=O)=O 55736484 ZRLAZQQORSDNMA-MRXNPFEDSA-N 411.527 3.388 0 40 HGAB CC(C)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NCCc1cn2ccccc2n1 25528033 FLBRGTIWSFKEBB-VBSWXYJSSA-N 422.573 3.350 0 40 HGAB Cc1cc(CN2CCSCC2)ccc1NC(=O)CCS(=O)(=O)C1CCCC1 58158216 OOSUBAYMRFAULJ-UHFFFAOYSA-N 410.605 3.230 0 40 HGAB Cc1cc(S(=O)(=O)Nc2ccc(Br)cc2)ccc1OCC(=O)O 58377265 JCOKAWQCNAXMGB-UHFFFAOYSA-N 400.250 3.022 0 40 HGAB CCc1ccc(S(=O)(=O)N[C@@H](c2cc(OC)cc(OC)c2)c2nccn2C)cc1 10748631 BDNBIPWUKILSBF-FQEVSTJZSA-N 415.515 3.068 0 40 HGAB NC(=O)C1CCN(C(=O)c2ccc(COc3ccc(OC(F)(F)F)cc3)o2)CC1 36358645 KBBCKLGKIZOREG-UHFFFAOYSA-N 412.364 3.095 0 40 HGAB CC1CCC2(CC1)NC(=O)N(CC(=O)N1CCC(c3c[nH]c4ccccc34)CC1)C2=O 10884042 XMGRNMHSTPUGKQ-UHFFFAOYSA-N 422.529 3.375 0 40 HGAB CCNS(=O)(=O)c1ccc(C(=O)N(C)Cc2ccccc2N2CCCCC2)cc1 10900039 ZLIZSBRVWYDREC-UHFFFAOYSA-N 415.559 3.247 0 40 HGAB Cc1ccc(NC(=O)c2ccc(N3CCOCC3)nc2)cc1I 12794819 NUALVHXVRWAJDD-UHFFFAOYSA-N 423.254 3.084 0 40 HGAB CCc1cc(=O)oc2c3c(cc(OCC(=O)NC[C@@H]4CCCO4)c12)OC(C)(C)CC3 4089158 CKCXYLNQPCMJKJ-HNNXBMFYSA-N 415.486 3.133 0 40 HGAB biogenic Cc1cc(O[C@H](C)C(=O)N(Cc2ccco2)[C@H]2CCS(=O)(=O)C2)ccc1Cl 5155894 GBBRRTDDGCLIBU-CABCVRRESA-N 411.907 3.225 0 40 HGAB Cc1ccccc1CN(C)C(=O)COC(=O)C(O)(c1ccccc1)c1ccccc1 4547931 DMSAFWBYOFTNIC-UHFFFAOYSA-N 403.478 3.433 0 40 HGAB CCOC(=O)c1ccccc1NC(=O)CN1c2cccc3cccc(c23)S1(=O)=O 6641969 KJIAAGKXTBHOMX-UHFFFAOYSA-N 410.451 3.164 0 40 HGAB O=C(NCC12CC3CC(CC(C3)C1)C2)c1cccc(S(=O)(=O)N2CCCC2)c1 5612542 PDNXDFLJGJSDCK-UHFFFAOYSA-N 402.560 3.417 0 40 HGAB O=C(CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)Nc1c(-c2ccc(F)cc2)nc2sccn12 18705826 DPJGGKJTAULADW-GASCZTMLSA-N 424.457 3.092 0 40 HGAB CC[C@@H](C)NC(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(C)cc1 4905538 SIRWAYAFXCEVTL-MRXNPFEDSA-N 420.531 3.122 0 40 HGAB COc1ccc(C(=O)COC(=O)c2ccc(OC[C@H]3CCCO3)cc2)c(OC)c1 4988700 KQWQKISNVVLSBL-GOSISDBHSA-N 400.427 3.301 0 40 HGAB Cc1cc(C)n(-c2ccc(C(=O)OCC(=O)N3CCC(c4ccccc4)=N3)cc2)n1 7006879 LQRMTRAMWJUKDS-UHFFFAOYSA-N 402.454 3.283 0 40 HGAB COc1ccc(C)cc1NC(=O)c1ccc(N2C(=O)[C@@H](C)CS2(=O)=O)cc1Cl 15858433 FVDVCIIZWYPQFS-LBPRGKRZSA-N 422.890 3.222 0 40 HGAB Cc1nc2ccccc2c(C)c1CC(=O)N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 7734975 GLPZVFCVEUGWAF-MRXNPFEDSA-N 411.527 3.261 0 40 HGAB CCOc1ccccc1CNC(=O)CN(c1ccc(C(C)(C)C)cc1)S(C)(=O)=O 20458005 CZYNNWDIBSOKIM-UHFFFAOYSA-N 418.559 3.465 0 40 HGAB COc1ccc(CN2CCN(Cc3cc(=O)oc4c(C)c(O)ccc34)CC2)cc1OC 19540685 YCSYNDGEGDNBIK-UHFFFAOYSA-N 424.497 3.142 0 40 HGAB Cc1ccc(NC(=O)[C@H](C)N(C)Cc2nnc3ccccn23)c(Br)c1 72308308 LQSHAGNKCPQKBQ-ZDUSSCGKSA-N 402.296 3.259 0 40 HGAB COc1cc2nc(CSc3nnc(C)n3-c3ccccc3C)[nH]c(=O)c2cc1OC 9636319 LEXWOCRBICTTEP-UHFFFAOYSA-N 423.498 3.430 0 40 HGAB CNS(=O)(=O)Cc1ccc(CNC(=O)CSc2ccc(C(C)(C)C)cc2)cc1 9806715 ALIXKDGVBGNUPN-UHFFFAOYSA-N 420.600 3.442 0 40 HGAB CC[C@@H](C)NS(=O)(=O)c1ccc(OCC(=O)N[C@@H](C)c2ccc(OC)cc2)cc1 20019534 NOPXBECEUFHIST-CVEARBPZSA-N 420.531 3.028 0 40 HGAB O=C(NCCCN1CCN(c2ncccn2)CC1)Nc1ccc(OC2CCCC2)cc1 84613424 LNYLIRXNUWMQLD-UHFFFAOYSA-N 424.549 3.132 0 40 HGAB Cc1cnn(-c2ccc(C(N)=O)cc2NC(=O)c2cccc(OC[C@@H]3CCCO3)c2)c1 95462381 BHLCKAPONDCYMS-IBGZPJMESA-N 420.469 3.090 0 40 HGAB CCc1nnc(NS(=O)(=O)c2c(Cl)cc(F)cc2Br)s1 95453619 FYVWRHQMUGDYRA-UHFFFAOYSA-N 400.682 3.456 0 40 HGAB CCCCn1c(=O)[nH]c(=O)c2c1nc(-c1ccc(C(=O)O)cc1)n2Cc1ccccc1 95951443 MBQODQFOZCZRJG-UHFFFAOYSA-N 418.453 3.100 0 40 HGAB COc1cc(NC(=O)N2CCOC[C@@H]2C[C@H](O)c2ccccc2)ccc1NC(C)=O 89265515 ULRBFXUBDMRXKR-ICSRJNTNSA-N 413.474 3.010 0 40 HGAB Cc1noc(C)c1CSCC(=O)N1CC(=O)Nc2ccc(Br)cc21 89532405 FYSSCKFTXPFIQZ-UHFFFAOYSA-N 410.293 3.272 0 40 HGAB O=C(CN1CCN(C(=O)c2cc3cc(F)ccc3[nH]2)CC1)Nc1ccc(Cl)cc1 89788322 YLEONEOLVAWFDJ-UHFFFAOYSA-N 414.868 3.357 0 40 HGAB CCN1C[C@H](CN(C)CCCCN2C(=O)c3ccccc3C2=O)Oc2ccccc21 24242057 UWYIVKCWRLPDGQ-SFHVURJKSA-N 407.514 3.282 0 40 HGAB COCCNC(=O)c1cc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)ccc1C 408618472 GLOXXJUGQANRFJ-UHFFFAOYSA-N 416.421 3.191 0 40 HGAB CCN(Cc1ccc2c(c1)OCCO2)C(=O)NCc1ccc(Cn2cccn2)cc1 26392957 MRCJBHNFJQEGOF-UHFFFAOYSA-N 406.486 3.434 0 40 HGAB COc1ccc(SCC(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)cc1 20492032 OBRWXIIHMANQAE-MRXNPFEDSA-N 400.500 3.335 0 40 HGAB Cc1cccc(CS(=O)(=O)N2CCC(C(=O)N3CCc4ccccc4C3)CC2)c1 24611817 PORBXDBAXRVING-UHFFFAOYSA-N 412.555 3.122 0 40 HGAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccc(F)c(Cl)c2)cc1C 408556856 DYQSLHMHVIBTSU-LLVKDONJSA-N 400.859 3.102 0 40 HGAB COc1ccc(C)cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc2c(F)cccc2F)C1 409392657 SPPQJIBZPCPKIH-AWEZNQCLSA-N 424.469 3.321 0 40 HGAB Nc1n[nH]c(C2CCN(C(=O)c3ccc(Br)c(C(F)(F)F)c3)CC2)n1 1556843298 FBOBNNPZIHASAJ-UHFFFAOYSA-N 418.217 3.188 0 40 HGAB O=C(Nc1cccc(CN2C(=O)CNC2=O)c1)c1cc(Br)ccc1Cl 36393260 LOWVHYMOLMEJMZ-UHFFFAOYSA-N 422.666 3.407 0 40 HGAB O=C(Cc1nnc(O)c2ccccc12)N1CCO[C@H](c2ccc(F)cc2Cl)C1 547861993 XZCDKWRQRFOYSV-SFHVURJKSA-N 401.825 3.271 0 40 HGAB Cc1cccc(NC(=O)CSc2nnc(CNC(=O)Cc3ccccc3)n2C)c1C 409156814 HCRKMDYHGNAQJQ-UHFFFAOYSA-N 423.542 3.022 0 40 HGAB COc1ccc(CN(C)S(=O)(=O)c2ccc(NC(=O)NCC(C)C)cc2)cc1 408590556 JTNVGDYVHRYVLF-UHFFFAOYSA-N 405.520 3.293 0 40 HGAB COCC(=O)NC[C@@H]1C=C(C)[C@H](CC(=O)NCc2ccc(OC)cc2)C[C@H]1C(C)C 30880701 WPLNAPSBXPKHTC-ONTIZHBOSA-N 416.562 3.319 0 40 HGAB biogenic,in-vitro CC1=C[C@@H](CN2CCN(c3ncccn3)CC2)[C@H](C(C)C)C[C@H]1Cc1nnc(C)o1 35442631 CDOKAGJGWGLMRW-ACRUOGEOSA-N 410.566 3.387 0 40 HGAB biogenic,in-vitro CCn1ccc(-c2cc(C(=O)OC)n3nc(C(F)(F)F)c(Br)c3n2)n1 36615769 FWDJJABEOGDHFB-UHFFFAOYSA-N 418.173 3.181 0 40 HGAB CC[C@H](C(=O)N[C@@H](C)COc1ccc(C)cc1)N(c1ccc(F)cc1)S(C)(=O)=O 219116014 LPIZWTQWPZHVCB-OXJNMPFZSA-N 422.522 3.262 0 40 HGAB O=S(=O)(NC[C@H](O)c1ccc(C(F)(F)F)cc1)c1ccccc1Br 70964651 IQWDKWVQHJCNBJ-ZDUSSCGKSA-N 424.238 3.480 0 40 HGAB CCC(=O)N1CCCC[C@@H]1c1nc(C)c2c(n1)N(Cc1cccc(OC)c1)C(=O)C2 72371846 ZLEQHOHTFBCISC-LJQANCHMSA-N 408.502 3.347 0 40 HGAB COc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)cc1 223279630 PXHMPDDDKLBOJN-VXKWHMMOSA-N 421.570 3.415 0 40 HGAB COc1cccc(CCCNC(=S)Nc2cccc(N(C)S(C)(=O)=O)c2)c1 225553643 WGRJMOVAOKOCEG-UHFFFAOYSA-N 407.561 3.010 0 40 HGAB CCCCNC(=O)c1ccc(OC)c(CN(C)S(=O)(=O)c2ccc(C)cc2)c1 224776368 VAMZJJISPJDWEI-UHFFFAOYSA-N 404.532 3.354 0 40 HGAB CCOc1ccc(N([C@@H](CC)C(=O)NCCCc2ccccc2)S(C)(=O)=O)cc1 220676971 YBOQUFCDKUAEJR-NRFANRHFSA-N 418.559 3.379 0 40 HGAB CC[C@@H](C(=O)N[C@H](C)c1ccc(C)cc1)N(c1ccc(OC)cc1)S(C)(=O)=O 220657423 VPMQEQHVXREGBT-UZLBHIALSA-N 404.532 3.426 0 40 HGAB O=C(Nc1nc2c(s1)CN(C(=O)Cc1ccc(F)cc1)CC2)NC1CCCC1 77196392 GMIODGIHUDSCSP-UHFFFAOYSA-N 402.495 3.474 0 40 HGAB Cc1ccc(C)c(S(=O)(=O)N(CCc2ccccc2)CC(=O)NCC(C)C)c1 225940038 HENDTEDMEUKQTC-UHFFFAOYSA-N 402.560 3.309 0 40 HGAB CCOC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc3c(c2)sc(=O)n3CC)c1 225692820 JUZHHUUMHNZDEK-UHFFFAOYSA-N 420.512 3.369 0 40 HGAB COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N[C@@H](C)C(C)C)cc2)cc1OC 225199424 PXNRCRZLUNQOOY-HNNXBMFYSA-N 420.531 3.303 0 40 HGAB CCOc1cc(C(=S)N2CCOCC2)ccc1OC(=O)Cc1ccc(F)cc1 98087154 ZEEOMRLNKDBYNH-UHFFFAOYSA-N 403.475 3.380 0 40 HGAB O=C(NCCN1CCOCC1)c1cc2ccc(-c3ccsc3)cn2c1-c1cocn1 96267037 ZSJNZFRVFSQKQC-UHFFFAOYSA-N 422.510 3.385 0 40 HGAB Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3ccccc3)[C@]2(CN)NC(=O)OC(C)(C)C)cc1 242473240 FDKSSCHDQAEKOZ-KNKQGSTJSA-N 416.543 3.157 0 40 HGAB CCOC(=O)[C@]1(CN)[C@H](c2cccc(Cl)c2)[C@H]1S(=O)(=O)c1ccc(C)cc1 242495181 FYDSZLRCGNAQST-QWFCFKBJSA-N 407.919 3.096 0 40 HGAB COc1ccc(-c2cccc([C@@H]3CN(CC(=O)N4CCC(C)CC4)CCO3)n2)cc1 257342941 ZQRQIOPSUDNHOO-QHCPKHFHSA-N 409.530 3.389 0 40 HGAB COc1cccc(C(=O)N2CC[C@]3(C2)c2cccn2-c2ncccc2N3CCF)c1 585106972 MNMHTPNSTBOIAB-QHCPKHFHSA-N 406.461 3.412 0 40 HGAB O[C@@]1(COc2ccccc2)COCCN(C[C@]2(O)CC[C@@H](c3ccccc3)CC2)C1 585288062 VGERBERSWOBOID-PZUNEJSGSA-N 411.542 3.218 0 40 HGAB Cc1ccc(C(=O)N2CCC3(CC2)CC(=O)N(Cc2ccncc2)c2ccnn23)cc1 1772596439 HZKRHCHOMIFLOQ-UHFFFAOYSA-N 415.497 3.155 0 40 HGAB Cc1cc(C(=O)CSc2nnnn2-c2ccc(OC(F)(F)F)cc2)c(C)n1C 5220136 WRUGREJOSLLSPE-UHFFFAOYSA-N 411.409 3.491 0 40 HGAB CN(c1ccc(OCC(=O)NCCc2ccccc2)cc1)S(=O)(=O)c1ccccc1 13584658 HIGWSKXGJCFQGA-UHFFFAOYSA-N 424.522 3.249 0 40 HGAB COc1ccccc1[C@H](C)NC(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1 17970957 UUYWSMBBKIRZCK-INIZCTEOSA-N 412.511 3.346 0 40 HGAB CC(=O)N1CCc2cc(C(=O)CN3CCC[C@](O)(c4ccc(F)cc4)CC3)ccc21 19019171 UHWJZRWCOIZRNI-XMMPIXPASA-N 410.489 3.291 0 40 HGAB C[C@@H](C(=O)N1CCC[C@@H](c2nc(-c3cccnc3)no2)C1)n1cnc2ccccc21 19078443 TUZFPDAVGVNNJF-DOTOQJQBSA-N 402.458 3.449 0 40 HGAB Cc1ncc(CN2CCC([C@H]3C[C@@H](C(=O)Nc4ccc(F)cc4)CN3C)CC2)cn1 19287206 SSIKNOMZEAAOPT-DENIHFKCSA-N 411.525 3.095 0 40 HGAB CCNC(=O)[C@]1(Cc2ccc(-c3cccc(C)c3)cc2)CN(C(=O)C2CC2)CCO1 19529221 DCLJRBLJPLFTJO-VWLOTQADSA-N 406.526 3.348 0 40 HGAB COc1cc(CN2[C@H]3CC[C@@H]2CC(O)(c2ccc(F)cc2)C3)ccc1OCCO 19550215 SJMOLUVILMRCID-DETIRCLXSA-N 401.478 3.220 0 40 HGAB COc1ccc(-c2nnc3n2[C@@H]2CCCC[C@H]2N(C(=O)c2ccccn2)C3)cc1OC 19561684 WEMZQSXEYMKMQH-QZTJIDSGSA-N 419.485 3.497 0 40 HGAB COc1ccc(S(=O)(=O)NCc2cccc(C(F)(F)F)c2)cc1NC(C)=O 19682203 QBHSRJGGUSWQGH-UHFFFAOYSA-N 402.394 3.151 0 40 HGAB COc1cccc(-c2cnc(N(C)C)nc2[C@H]2CCCN2C(=O)c2snnc2C)c1 19689461 ROIXGAOITYJOIU-QGZVFWFLSA-N 424.530 3.355 0 40 HGAB CC(=O)N[C@H]1C[C@@H](c2ccccc2NC(=O)c2cn3cccnc3n2)O[C@@H](C(C)C)C1 19712207 UJHFCOXFDBTSIK-HBGVWJBISA-N 421.501 3.362 0 40 HGAB COc1cc(CN2CCC(O)(Cn3ccc4ncccc43)CC2)cc(OC)c1OC 12088957 ZSBVTWOHCQWFDR-UHFFFAOYSA-N 411.502 3.089 0 40 HGAB FC(F)(F)c1cccc(N2CCN(C3CCN(CC4CCOCC4)CC3)CC2)n1 252482577 DJOSCGZCHJQZRG-UHFFFAOYSA-N 412.500 3.113 0 40 HGAB COc1ccccc1CNC(=O)c1cc([C@H]2CCN(CCc3ccccc3)C2)n[nH]1 19707799 WUOBNELACIJBLC-FQEVSTJZSA-N 404.514 3.380 0 40 HGAB Cc1nc(-c2ccccc2F)sc1C(=O)N1C[C@@H]2CN(c3cnccn3)C[C@@H]2C1 1888918230 DNYKLYLNQSSLLR-GASCZTMLSA-N 409.490 3.256 0 40 HGAB Cc1cc(OC[C@]2(O)CCCN(C(=O)c3cncnc3C)CC2)cc(C)c1Cl 2037912525 NRTIQGFQWIYUMC-NRFANRHFSA-N 403.910 3.491 0 40 HGAB CN(Cc1ccccn1)C(=O)C1=NO[C@]2(CCCN(Cc3ccc(F)c(F)c3)C2)C1 1204221871 JTUTVWNVCHEUKF-JOCHJYFZSA-N 414.456 3.129 0 40 HGAB COc1ccc(C(=O)N(c2ccc(Br)cc2)[C@@H]2C=CS(=O)(=O)C2)cc1 8789001 IUZJULZZQUZIKQ-MRXNPFEDSA-N 422.300 3.415 0 40 HGAB CCCCNC(=O)Cc1csc(SCC(=O)Nc2cccc(NC(C)=O)c2)n1 8849951 RRUBXLYKROSJKP-UHFFFAOYSA-N 420.560 3.291 0 40 HGAB CCCCOc1ccc(S(=O)(=O)Nc2cccc(-c3ccc(=O)n(C)n3)c2)cc1 10324765 GLYMFRRTTWQWOW-UHFFFAOYSA-N 413.499 3.427 0 40 HGAB COCCNC(=S)N(CCc1c(C)[nH]c2ccc(OC)cc12)Cc1ccncc1 13283406 GGJWDCQLDBQDAZ-UHFFFAOYSA-N 412.559 3.446 0 40 HGAB Cc1ccc([C@@H](c2c(O)cc(C)n(Cc3ccco3)c2=O)N2CCN(C)CC2)cc1 22698261 BBPCEGKWDKMPOC-QHCPKHFHSA-N 407.514 3.149 0 40 HGAB O=C(Cn1nc(C2CC2)c2cnn(-c3ccccc3)c2c1=O)OCc1ccccc1 22767911 NWZQVRDQBJYDCH-UHFFFAOYSA-N 400.438 3.203 0 40 HGAB O=C(c1c[nH]c2ccccc12)N1CCC[C@@H](Oc2ncc(Br)cn2)C1 575613807 UXBCEJPVIHXUEU-CYBMUJFWSA-N 401.264 3.404 0 40 HGAB Cc1ccc(CN2C(=O)NC3(CCN(C(=O)c4cccc(Cl)c4)CC3)C2=O)cc1 11694067 NOCWAQQQKVVWHI-UHFFFAOYSA-N 411.889 3.375 0 40 HGAB CCOC(=O)c1c(NC(=O)CSc2ncnc3nc[nH]c23)sc2c1CCCC2 12139037 QAUAMUFNFBJTOL-UHFFFAOYSA-N 417.516 3.201 0 40 HGAB O=C(Nc1ccc2c(c1)-c1ccccc1C2)c1ccc(S(=O)(=O)N2CCOCC2)o1 40073652 NQMHQJHHHLPXKB-UHFFFAOYSA-N 424.478 3.124 0 40 HGAB O=C(O)c1cccc(NC(=O)[C@@H]2[C@@H](C(=O)OCC(F)(F)C(F)F)[C@H]3C=C[C@H]2C3)c1 100073313 CWMYCMANGKNHFH-NUZBWSBOSA-N 415.339 3.205 0 40 HGAB Cc1cc2c(=O)n(Cc3ccccc3)c(=O)n(CC(=O)Nc3ccccc3)c2s1 32089885 OPKCPUQBWZBUOP-UHFFFAOYSA-N 405.479 3.220 0 40 HGAB COc1ccc2[nH]c3c(c2c1)CCN[C@@H]3c1ccc(OC)c(CN2CCOCC2)c1 32109685 ZXRHRWZKTXHWBS-HSZRJFAPSA-N 407.514 3.252 0 40 HGAB biogenic COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)N3CCCC3)cc2c1 892906 XWXJQOHCVPXFRR-FQEVSTJZSA-N 408.506 3.214 0 40 HGAB COCCCN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@H]2c2cccc(C)c2)C1=O 2157869 GFTUUHYLMMCGHR-XUZZJYLKSA-N 417.509 3.198 0 40 HGAB biogenic COc1cc2c(cc1NC(=O)[C@H](C)OC(=O)c1cc[n+]([O-])cc1)oc1ccccc12 2618143 HFNBYPCACQHSLU-ZDUSSCGKSA-N 406.394 3.412 0 40 HGAB C[C@H](OC(=O)c1ccccc1Nc1ccc(SC(F)F)cc1)C(=O)NC(N)=O 2635247 BZAQNXZPKAZDLP-JTQLQIEISA-N 409.414 3.485 0 40 HGAB C[C@@H]1C[C@@H](C)CN(C(=O)COC(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)C1 3294016 IOKGEGDVFAMGFC-HZPDHXFCSA-N 420.465 3.149 0 40 HGAB Cc1ccc(-c2nnc(SCC(=O)Nc3ccc4c(c3)OC(F)(F)O4)n2N)cc1 3349973 LIVZMMQHIXBQQQ-UHFFFAOYSA-N 419.413 3.020 0 40 HGAB C[C@H](Sc1nc2cc(Cl)ccc2c(=O)n1C1CCCCC1)C(=O)NC(N)=O 3412781 MFCKYTDZFWAHQY-JTQLQIEISA-N 408.911 3.231 0 40 HGAB Cc1ccccc1N1C(=O)c2ccc(C(=O)OCC(=O)N3CCC(C)CC3)cc2C1=O 3475593 INBXEQGJNUOWNR-UHFFFAOYSA-N 420.465 3.211 0 40 HGAB CCc1cccc2c(/C=C3\NC(=S)N(CC)C3=O)cn(CC(=O)N3CCCCC3)c12 3641891 QEACHOBUDKZOQZ-UYRXBGFRSA-N 424.570 3.294 0 40 HGAB CCCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccncc1)C(C(=O)OC(C)C)=C(C)N2 4292301 NNESCKDEKDJKBN-HNNXBMFYSA-N 400.504 3.450 0 40 HGAB Cc1ccccc1OCc1nnc(SCC(=O)N2CCc3ccccc3C2)n1C 4735939 LCFWHIRXVMCWLR-UHFFFAOYSA-N 408.527 3.380 0 40 HGAB O=C(O)CCCCCNC(=O)/C(=C/c1ccc(Cl)cc1)NC(=O)c1ccco1 4976785 ACACIOVRJIBTPI-SSZFMOIBSA-N 404.850 3.465 0 40 HGAB Cc1ccc(CNC(=O)[C@H](NC(=O)c2c(C)nn(C)c2Cl)c2ccccc2)cc1 6029850 PBCKULGKIHENJH-LJQANCHMSA-N 410.905 3.478 0 40 HGAB Cn1c(CC(=O)Nc2ccccc2)nnc1SCC(=O)Nc1ccc(Cl)cc1 6479947 QJNROYQUHJEPQO-UHFFFAOYSA-N 415.906 3.381 0 40 HGAB COc1cc(/C=C(\Sc2nnc(C)[nH]2)C(=O)O)cc(Br)c1OC 6588220 RLJWYNNAHUSBER-WDZFZDKYSA-N 400.254 3.111 0 40 HGAB CN(C)CCn1cc(C(=O)c2cc(F)ccc2O)cc1-c1nc2ccccc2c(=O)[nH]1 6590677 JEGBWTPMIQCAPE-UHFFFAOYSA-N 420.444 3.029 0 40 HGAB COc1ccc(C)cc1-n1nnnc1SCC(=O)N(C)Cc1ccc(Cl)cc1 6650021 UKYMRPWGNKOKOW-UHFFFAOYSA-N 417.922 3.383 0 40 HGAB CCc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccc(F)c(F)c3)CC2=O)cc1 6652930 VMKVKKILEZJJQJ-CQSZACIVSA-N 402.397 3.062 0 40 HGAB Cc1cc(=O)oc2c(C)c(OCC(=O)Nc3sc4c(c3C(N)=O)CCC4)ccc12 6940756 JQKIVNUHKDRTSO-UHFFFAOYSA-N 412.467 3.076 0 40 HGAB CC(=O)c1ccc(S(=O)(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 7059860 OWICNUPDMFASBU-UHFFFAOYSA-N 412.433 3.419 0 40 HGAB O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)OCCOc1ccccc1 7679980 GQOJJTVRMLOIRP-UHFFFAOYSA-N 417.527 3.416 0 40 HGAB Cc1nn(C)c(C)c1NC(=O)CNC(=O)c1ccc(-c2nc3ccccc3s2)o1 8022649 DYTAXVRIXNDOFB-UHFFFAOYSA-N 409.471 3.275 0 40 HGAB CCCN(CC(=O)Nc1ccccc1C(=O)NC1CC1)Cc1nnc(-c2ccco2)o1 8040345 LAMRLPXWQPREPO-UHFFFAOYSA-N 423.473 3.073 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)COc3ccc(C(C)C)cc3)CC2)cc1 8225012 HVFBWJXCEGIXDA-UHFFFAOYSA-N 416.543 3.030 0 40 HGAB COc1cc(C(=S)N2CCOCC2)ccc1OCC(=O)Nc1ccc(C)cc1C 8369223 UFKPALRTYUXSNG-UHFFFAOYSA-N 414.527 3.337 0 40 HGAB CCCC[C@H](C(=O)OCC(=O)Nc1ccccc1C)N1C(=O)c2ccccc2C1=O 8411279 PARIHVLZEWTNAG-LJQANCHMSA-N 408.454 3.332 0 40 HGAB CC1CCN(C(=O)COC(=O)CCCN2C(=O)c3cccc4cccc(c34)C2=O)CC1 8711083 FNZREJUKXYMIOL-UHFFFAOYSA-N 422.481 3.018 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(-n4cccc4)cc3)CC2)c(C)c1 8719000 NGYVZOBELJEMLB-UHFFFAOYSA-N 423.538 3.241 0 40 HGAB CCCn1c(S[C@@H](C)C(=O)NC[C@H]2CCCO2)nc2sc(CC)cc2c1=O 9362202 VUDHVQIHWOJDLU-QWHCGFSZSA-N 409.577 3.206 0 40 HGAB COc1ccc(C)cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccccc2C)C1 9974730 SFEWRURSYYRNJW-QGZVFWFLSA-N 402.516 3.351 0 40 HGAB Cc1ccc(Cl)cc1N1CCN(C(=O)c2cccc(NS(C)(=O)=O)c2C)CC1 10112790 WKIPHRDNBVHSKP-UHFFFAOYSA-N 421.950 3.291 0 40 HGAB COC(=O)COC(=O)/C=C/c1cn(Cc2ccccc2)nc1-c1ccccc1OC 10975377 HLKYNPICUALPSW-OUKQBFOZSA-N 406.438 3.336 0 40 HGAB Cc1cc(NC(=O)CN2CCC(NC(=O)c3ccccc3)CC2)n(-c2ccccc2)n1 11100426 CMFVMOAPMLXVEQ-UHFFFAOYSA-N 417.513 3.014 0 40 HGAB Cc1cccc(Cn2cnc3c(cnn3CCNC(=O)CCC3CCCC3)c2=O)c1 12072229 GDJUXQPAGYGKDG-UHFFFAOYSA-N 407.518 3.036 0 40 HGAB Cc1cc(C(F)(F)F)n2nc([C@@H]3CCN(C(=O)c4cnn(C(C)C)c4)C3)cc2n1 12258031 MUHKDETTZLSCMG-CYBMUJFWSA-N 406.412 3.464 0 40 HGAB COc1ccc(NC(=O)[C@@H](OC(=O)c2cc(S(C)(=O)=O)ccc2C)C(C)C)cc1 12475272 FDNHCKQQMITWGI-IBGZPJMESA-N 419.499 3.227 0 40 HGAB CC1CCN([C@@H](CNC(=O)c2ccc(S(C)(=O)=O)cc2)c2cccs2)CC1 12818215 PVPWGEZBHILYNE-SFHVURJKSA-N 406.573 3.355 0 40 HGAB CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)C[C@@H]1OC(=O)c2ccccc21 12898941 JUMRDURYLMFRLX-INIZCTEOSA-N 406.360 3.404 0 40 HGAB C[C@@H](OC(=O)[C@@H]1CCCN1C(=O)c1cccs1)C(=O)Nc1ccc2c(c1)CCC2 12988098 JURCVWHLOYFFQC-KDOFPFPSSA-N 412.511 3.412 0 40 HGAB C[C@@H](OC(=O)[C@H]1CCCN1C(=O)c1cccs1)C(=O)Nc1ccc2c(c1)CCC2 12988106 JURCVWHLOYFFQC-RDTXWAMCSA-N 412.511 3.412 0 40 HGAB CSc1cc(C(=O)O)ccc1NS(=O)(=O)c1ccc2c(c1)CCCN2C(C)=O 13278969 FRQXDFRXUKXWPE-UHFFFAOYSA-N 420.512 3.207 0 40 HGAB COCCCn1c(=O)c2sccc2n(CC(=O)Nc2cccc3ccccc23)c1=O 13533264 IHNXAPJRINEFII-UHFFFAOYSA-N 423.494 3.053 0 40 HGAB COc1cccc(NC(=O)[C@H](C)n2nnc(-c3ccccc3Br)n2)c1 14123349 BQMXYJWPBRRBGF-NSHDSACASA-N 402.252 3.311 0 40 HGAB COc1ccc(C(=O)N2CCc3ccccc32)cc1S(=O)(=O)NC1CCCC1 14909155 KEUPLVZUACETSZ-UHFFFAOYSA-N 400.500 3.119 0 40 HGAB O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Oc1ccc(Br)cc1Cl 15656866 OALYRCXUENGDAR-GHMZBOCLSA-N 400.656 3.183 0 40 HGAB O=C(NCc1ccc(Cl)cc1)[C@@H]1Cc2[nH]cnc2CN1C(=O)NC1CCCCC1 15676198 LGNSYNGBBQDGRB-IBGZPJMESA-N 415.925 3.149 0 40 HGAB biogenic,in-vitro CCNS(=O)(=O)c1cc(C(=O)NCc2ccc(Cl)cc2Cl)ccc1OC 16681805 GROVEIHVILNUFB-UHFFFAOYSA-N 417.314 3.230 0 40 HGAB C[C@@H](Oc1ccc(F)cc1)C(=O)N1CC[C@H](c2cc(O)nc(-c3ccccn3)n2)C1 19077624 PQQNKYRHBYOVDM-CABCVRRESA-N 408.433 3.167 0 40 HGAB O=C(NCCC[C@@H]1CCOC1)C1(C[C@H]2CC(c3cccc(F)c3)=NO2)CCOCC1 19293666 GZGLCVWCIVVRGA-YLJYHZDGSA-N 418.509 3.439 0 40 HGAB O=C(Nc1ccc(N2CCOCC2)c(F)c1)c1cc(-c2ccc3c(c2)OCO3)n[nH]1 19346350 NWPBICOENWZPNA-UHFFFAOYSA-N 410.405 3.033 0 40 HGAB CC(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCCCN3S(=O)(=O)N(C)C)cc2N1 19451238 ONFXDONJOSUJIQ-NWANDNLSSA-N 423.505 3.160 0 40 HGAB COc1cc(Br)ccc1NC(=O)CN1CCN(Cc2ccccc2)CC1 19594467 YTXAMHJGZBUVLQ-UHFFFAOYSA-N 418.335 3.214 0 40 HGAB CCOC(=O)[C@H]1CCCN(C(=O)COc2ccccc2C(=O)Nc2ccccc2)C1 21942138 TUXKVMFIRJULAA-KRWDZBQOSA-N 410.470 3.119 0 40 HGAB Cc1nc2ccccn2c1CN1CCN(C[C@H](O)COc2ccccc2C(C)C)CC1 22878601 BYVKVYIWOIKPPS-NRFANRHFSA-N 422.573 3.324 0 40 HGAB COc1ccccc1NC(=O)Cn1cccc(-c2nc(-c3ccccc3)no2)c1=O 23125694 OWWOUMSRBONRTB-UHFFFAOYSA-N 402.410 3.213 0 40 HGAB Cc1cc(C)n(C(=O)c2sccc2S(=O)(=O)N(C)c2ccc(F)c(F)c2)n1 23126943 VCGRXWQFVKPTMC-UHFFFAOYSA-N 411.455 3.353 0 40 HGAB C/C=C/c1ccc(OC[C@@H](O)CN2CCN(Cc3ccsc3)CC2)c(OC)c1 23254156 AINJBFIJAMEXCW-YADGQWAMSA-N 402.560 3.347 0 40 HGAB COC(=O)c1ccoc1CSc1nnc(N2CCC(C)CC2)n1C[C@@H]1CCCO1 23355394 JAAQVWOKDJQSIB-HNNXBMFYSA-N 420.535 3.365 0 40 HGAB O=C(Nc1ccc(F)c(F)c1)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1 24609993 REKLFSKXLXTBAF-UHFFFAOYSA-N 412.433 3.284 0 40 HGAB CS(=O)(=O)N1CCCN(C(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)CC1 24776292 GIVHEGGLFRARLM-UHFFFAOYSA-N 416.421 3.073 0 40 HGAB Cc1ccc(-c2nc(C)c(C(=O)Nc3cccc(CN4C(=O)CNC4=O)c3)s2)o1 24925084 CTRMHSNWYFSLBU-UHFFFAOYSA-N 410.455 3.324 0 40 HGAB CCN(CC)Cc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)c1 24925461 JGPOLWDPXXIFCT-UHFFFAOYSA-N 423.966 3.441 0 40 HGAB O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)Nc1ccccc1OCC(F)(F)F 26136891 JOCQBGZUIWQXPC-NOLJZWGESA-N 417.453 3.292 0 40 HGAB CCCCn1nnnc1CN1C(=O)N[C@@](c2ccccc2)(c2ccc(C)c(C)c2)C1=O 26676924 ATGRYLBIZSVBFW-QHCPKHFHSA-N 418.501 3.086 0 40 HGAB Cc1ccc(-c2cc(C(=O)N[C@@H]3CCS(=O)(=O)C3)c3cccc(C)c3n2)s1 27977131 BIRCZOBLCYGEEB-CQSZACIVSA-N 400.525 3.497 0 40 HGAB C[C@H](CCc1ccccc1)NC(=O)CCC(=O)N[C@H](C)[C@@H]1COc2ccccc2O1 28285714 FOHPXYVEEPNWQT-HMFYCAOWSA-N 410.514 3.249 0 40 HGAB COC(=O)C[C@@H](NC(=O)NCCc1ccc2c(c1)OCCO2)c1ccccc1Cl 29727763 SYBUTKOMIZWUQW-QGZVFWFLSA-N 418.877 3.257 0 40 HGAB C[C@@H](CCc1ccccc1)NC(=O)[C@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1 30943930 XWIIDETXGNWGJV-IFXJQAMLSA-N 422.934 3.005 0 40 HGAB O=C(NCCCC(=O)N1CCN(Cc2csc3ccccc23)CC1)c1ccco1 32757212 PAWYICOQIGEQGG-UHFFFAOYSA-N 411.527 3.349 0 40 HGAB COCCNC(=O)CNc1ncnc2cc(-c3ccc(Br)cc3)sc12 32808454 XYBMDVHOTUCOSR-UHFFFAOYSA-N 421.320 3.295 0 40 HGAB CCCNC(=O)[C@@H]1CN(C(=O)C2=Cc3cc(Cl)ccc3OC2)c2ccccc2O1 32823556 YPVGGAWDVHULNK-FQEVSTJZSA-N 412.873 3.436 0 40 HGAB O=C1CCc2cc(OCC(=O)N3CCC[C@H]3c3ccc4c(c3)OCCCO4)ccc2N1 32906397 JZXWQUPKAFTGSI-FQEVSTJZSA-N 422.481 3.475 0 40 HGAB CN(Cc1ccccc1)C(=O)c1cc(-c2cccs2)n([C@@H]2CCS(=O)(=O)C2)n1 33325351 BIKYNHMBTPUOMZ-MRXNPFEDSA-N 415.540 3.243 0 40 HGAB O=C(Nc1cc2c(cc1Cl)OCCO2)C1CCN(C(=O)OCC(F)(F)F)CC1 39551032 RPYWZWFFYYFJBC-UHFFFAOYSA-N 422.787 3.461 0 40 HGAB Cc1ccc2c(=O)c(C(=O)N(C)CC(=O)Nc3ccc(Cl)c(Cl)c3)c[nH]c2n1 40143287 DYMHIGAVJXQIFU-UHFFFAOYSA-N 419.268 3.249 0 40 HGAB COc1cc([C@@H]2CC(O)=Nc3c2ncn3-c2ccccc2F)ccc1OCC(N)=O 40287246 YXJVWXCRDMKHKX-ZDUSSCGKSA-N 410.405 3.008 0 40 HGAB Cc1ccc2c(c1)N(S(=O)(=O)c1nnc(NC(=O)c3cccs3)s1)[C@@H](C)C2 41085454 URWPFDJPAXCNAE-NSHDSACASA-N 420.541 3.300 0 40 HGAB CC1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc4ccccc4c3)C2)CC1 47080955 OUCVRYPKWYAYSJ-HXUWFJFHSA-N 400.544 3.499 0 40 HGAB COCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)c2[nH]c3ccc(Cl)cc3c2Cl)C1 57322665 IEYIZXJCQYKZGT-RYUDHWBXSA-N 412.317 3.478 0 40 HGAB CCc1cc(=O)n(CC(=O)Nc2ccc(OC)cc2OC)c(-c2ccc(F)cc2)n1 57508511 QTZORWZIKYYDGI-UHFFFAOYSA-N 411.433 3.268 0 40 HGAB Cc1ccc2c(c1)C(=O)CC1(CCN(CC(=O)c3ccc4c(c3)OCCO4)CC1)O2 57823073 CBOXYQDDCJQWPK-UHFFFAOYSA-N 407.466 3.449 0 40 HGAB CC(C)(CNC(=O)c1nc(N2CCCC2)ncc1Cl)c1ccc2c(c1)OCO2 58757899 XIGTUSWJCKCUMK-UHFFFAOYSA-N 402.882 3.167 0 40 HGAB COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1C(=O)Cc1ccc(F)cc1 60388115 QIPMEFYMYVJQPT-GOSISDBHSA-N 401.434 3.075 0 40 HGAB CCc1ccc(Nc2n[nH]nc2C(=O)N2CCN(c3cccc(OC)c3)CC2)cc1 67284201 ZIROFIILYZADLZ-UHFFFAOYSA-N 406.490 3.082 0 40 HGAB COc1ccc(C(=O)CSc2nnc(-c3ccccc3F)n2C)c(OC)c1O 72191451 QWWSPTILDXUTLI-UHFFFAOYSA-N 403.435 3.319 0 40 HGAB COc1cccc(-c2cccc([C@H]3CCCN(S(=O)(=O)c4cn(C)cn4)C3)n2)c1 72350318 RJWPNBLCXPSWSX-KRWDZBQOSA-N 412.515 3.059 0 40 HGAB CC(C)(C)OC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)NC1CC1 89694272 QCKPPPMFPXSQNB-SFHVURJKSA-N 419.522 3.255 0 40 HGAB O=C(C[C@@H](Cn1cnnn1)c1ccc(Cl)cc1)N1CCO[C@H](c2ccccc2)C1 95472104 ZJUWZJFCRQSSEA-ICSRJNTNSA-N 411.893 3.101 0 40 HGAB CC(C)c1nnc(NC(=O)C[S@](=O)Cc2ccc(Br)cc2)s1 95973388 APSPEOATTGDQOM-QFIPXVFZSA-N 402.339 3.311 0 40 HGAB Cn1c(=O)oc2ccc(S(=O)(=O)N(CCc3cccs3)Cc3ccoc3)cc21 96026079 NEAPMRWWOPLCND-UHFFFAOYSA-N 418.496 3.220 0 40 HGAB Cc1ccc(S(=O)(=O)N2CC[C@]3(CCCN(Cc4c(C)noc4C)C3)C2)cc1 96216040 IPNUHFHEZQWMNE-NRFANRHFSA-N 403.548 3.277 0 40 HGAB COc1ccc2[nH]cc(CCNC(=O)c3ccc(-c4nnn(C(C)C)n4)cc3)c2c1 96222097 IDFNYADVMRMGCB-UHFFFAOYSA-N 404.474 3.383 0 40 HGAB biogenic O=C1N(Cc2ccccn2)C[C@H]2CN(Cc3cccc(OC(F)(F)F)c3)CCN12 96269114 VYVWEIXPJSZPDU-QGZVFWFLSA-N 406.408 3.102 0 40 HGAB biogenic,in-vitro Cc1cc(=O)n2c(n1)SC[C@H]2CC(=O)NCc1sc(-c2cccs2)nc1C 96342610 PSRUXXDTMJTTEC-GFCCVEGCSA-N 418.569 3.398 0 40 HGAB CC(=O)N1CCc2nc3cc([C@H]4CCCCN4Cc4ccc(C)cc4)nn3c(O)c2C1 100242903 DEEFJNDLNXXGTC-JOCHJYFZSA-N 419.529 3.375 0 40 HGAB O=C(NC[C@H]1CC[C@H](C(=O)NCCN2CCc3ccccc32)CC1)[C@@H]1CC=CCC1 100766680 ZEPAUKZNFUCDIO-FCEUIQTBSA-N 409.574 3.444 0 40 HGAB O=C(N1CCC(Oc2cccnc2)CC1)C12C[C@@H]3C[C@@H](C1)CC(n1cncn1)(C3)C2 100773401 RIGLBWOETDNSEI-FFACFXHASA-N 407.518 3.039 0 40 HGAB COc1cc(OC)cc(N2C(=O)[C@@H]3N=NN(c4ccc(C)c(Cl)c4)[C@H]3C2=O)c1 101260846 SQHSTPRZBMRPDB-IAGOWNOFSA-N 400.822 3.163 0 40 HGAB O=C(NCCc1nccn1Cc1ccccc1)C1[C@H]2C[C@H]1CN(Cc1ccccc1)C2 101333129 BKZZLBXVNGUVGO-GOTSBHOMSA-N 414.553 3.358 0 40 HGAB Cc1ccc2c(c1)[C@@]1(C(=O)N2)[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@H]2CCCN21 101341858 GDODBXYULPSREU-ZQAYVECASA-N 421.884 3.080 0 40 HGAB Cc1nn(Cc2ccc(F)cc2Cl)c(C)c1N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 102630867 MNNBMQCYKDQJSJ-QBPKDAKJSA-N 403.841 3.008 0 40 HGAB CC[C@H](C(=O)NCCOc1cccc(C)c1)N(c1cccc(Cl)c1)S(C)(=O)=O 224300922 VKAQPDJDOWNPMF-LJQANCHMSA-N 424.950 3.388 0 40 HGAB Cc1ccccc1OCCNC(=O)CCCN(c1c(C)cccc1C)S(C)(=O)=O 224652199 PTOKJZBCMFNNQB-UHFFFAOYSA-N 418.559 3.353 0 40 HGAB Cc1cccc(N2CCC[C@H](N(C)C(=O)C(C)(C)NC(=O)CCc3ccccc3)C2)n1 257327218 XANKIDKYAPWQCU-NRFANRHFSA-N 422.573 3.345 0 40 HGAB CCCOc1ccc(N(CC(=O)N[C@H](C)c2ccccc2OC)S(C)(=O)=O)cc1 260763797 GHBJLWDINXJADP-MRXNPFEDSA-N 420.531 3.127 0 40 HGAB O=C(NCc1cccnc1)c1nc([C@H]2CCCN2Cc2ccccn2)n2ccccc12 306140781 VEELFTIPGJJTRA-OAQYLSRUSA-N 412.497 3.391 0 40 HGAB COc1ccc(S(=O)(=O)NCCCOC(C)C)cc1NC(=O)c1ccccc1F 408557882 OLBRDYJNOPQXML-UHFFFAOYSA-N 424.494 3.180 0 40 HGAB CCN(CC)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(OC)c(OC)c2)cc1 408595104 TWAXCAJBUIXKGN-UHFFFAOYSA-N 407.492 3.378 0 40 HGAB C[C@@H]1C=CC[C@@H]2C(=O)N(c3ccc(C(=O)Nc4cccc(C(=O)O)c4)cc3)C(=O)[C@H]21 408672630 OGWUWKPTSOZZIM-VMDGZTHMSA-N 404.422 3.339 0 40 HGAB COc1ccc(CCNC(=O)CCCN(c2cc(C)ccc2C)S(C)(=O)=O)cc1 408702496 HENBBIHMUJEXGC-UHFFFAOYSA-N 418.559 3.217 0 40 HGAB O=C(COc1ccc(F)cc1)N1N=C(c2ccc(F)cc2)C[C@]1(O)C(F)(F)F 409351022 VLYXJJLVJGYIPQ-KRWDZBQOSA-N 400.303 3.231 0 40 HGAB O=C(N[C@H]1CC[C@H](c2ccc(F)cc2)C1)C(=O)N1CCC(Cc2cccnc2)CC1 510396821 MNVRRMVRGWQYPE-UNMCSNQZSA-N 409.505 3.454 0 40 HGAB O=C(Nc1ccccc1-n1cc(Br)cn1)[C@@H]1CC(=O)N(C2CCCC2)C1 514446061 TXRMQXWGQIVPLM-CYBMUJFWSA-N 417.307 3.364 0 40 HGAB COc1ccccc1[C@@H]1CCCN1S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2 524336943 PZRYDQXDGYOBSU-KRWDZBQOSA-N 404.463 3.245 0 40 HGAB CC[C@H](C)CN1C[C@H]2C(=O)NC3(CCN(C(=O)C4(c5ccc(C)cc5)CC4)CC3)[C@H]2C1 585106076 JFTCOAYOUIRCBQ-BWAGFHJFSA-N 423.601 3.112 0 40 HGAB O=C(CC1CC1)N1CCCCC2(CO)CCN(CC2)Cc2ccccc2OCC1 643575287 OIWCUXZOYDHUOV-UHFFFAOYSA-N 400.563 3.453 0 40 HGAB CCn1cc(NC(=O)[C@H]2C[C@@H]2c2ccc(OCc3ccccc3)cc2)c(C(N)=O)n1 1522848708 HQIMSGPBUXEQHN-MOPGFXCFSA-N 404.470 3.323 0 40 HGAB C[C@@H]1Cc2cc(-c3csc(NC(=O)c4ccncc4)n3)ccc2N1S(C)(=O)=O 1365995 OGCRQWKQZXSHHH-GFCCVEGCSA-N 414.512 3.168 0 40 HGAB CSC[C@H](C(=O)Nc1c(F)c(F)cc(F)c1F)N1C(=O)[C@H]2CCCC[C@H]2C1=O 102319286 XJARPZRUZVDKMN-VDDIYKPWSA-N 418.412 3.088 0 40 HGAB Nc1nsc(N2CCN(c3nc(C4CC4)nc4sc5c(c34)CCCC5)CC2)n1 79061709 IUIROLZMOHYFKL-UHFFFAOYSA-N 413.576 3.208 0 40 HGAB Cc1ncsc1C(=O)NCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 46777810 YTNKAMLKLFLIDF-UHFFFAOYSA-N 412.481 3.412 0 40 HGAB CC(C)[C@H](C(=O)Nc1ccc(F)c(NS(C)(=O)=O)c1)n1cnc2ccccc21 32932580 WINLFKURDXUYDA-GOSISDBHSA-N 404.467 3.383 0 40 HGAB CC(C)CCNC(=O)CN(C(=O)CCC(=O)Nc1ccccn1)c1ccccc1F 4848281 LNNOYKUUOWTYEH-UHFFFAOYSA-N 414.481 3.135 0 40 HGAB O=C(CSCCN1C(=O)c2ccccc2C1=O)N1CCC(Cc2ccccc2)CC1 7094112 AQNHTMPBCFJQBT-UHFFFAOYSA-N 422.550 3.497 0 40 HGAB O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)NCc1ccc(F)cc1 7345776 DOWXAPJNCKLWJR-UHFFFAOYSA-N 404.507 3.249 0 40 HGAB CC(C)OC(=O)[C@H]1[C@@H]2C=C[C@]3(CN([C@@H](C)c4ccc(Br)cc4)C(=O)[C@H]13)O2 100643147 FGILBJXGENIYJK-VAXKSQPESA-N 420.303 3.244 0 40 HGAB C[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)c1ccc(F)cc1 8303263 MZTMSWOFHKNOKR-GOEBONIOSA-N 408.470 3.243 0 40 HGAB O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)Nc1ccccc1N1CCc2ccccc21 103139878 HJKWPQDUHYSIJE-BSWISCRUSA-N 413.477 3.126 0 40 HGAB Cc1cc(C)n2nc(C(=O)N(Cc3nnc(-c4ccccc4Cl)o3)C3CC3)nc2n1 9245132 FVWCDFVZYCRNAM-UHFFFAOYSA-N 423.864 3.249 0 40 HGAB CC(=O)c1cccc(NC(=O)Cn2cccc(-c3nc(-c4ccccc4)no3)c2=O)c1 23125709 PJTGSXNRLCKJTK-UHFFFAOYSA-N 414.421 3.407 0 40 HGAB COC(=O)Cc1csc(NC(=O)COc2c(C)cc(Br)cc2C)n1 28284421 FJBUVXHXPHQXKE-UHFFFAOYSA-N 413.293 3.255 0 40 HGAB COCc1nnc(NC(=O)CCN2C(=O)c3ccccc3N[C@H]2c2ccccc2)s1 61717616 AHNMLPJQDFECPP-LJQANCHMSA-N 423.498 3.280 0 40 HGAB CCOc1ccc(OC[C@@H](O)CSc2nncn2-c2ccccc2OC)cc1 12550728 XIOUJMGGRFIXJS-OAHLLOKOSA-N 401.488 3.207 0 40 HGAB O=c1[nH]c(CCc2ccc(S(=O)(=O)N3CCCCCC3)cc2)nc2ccccc12 12563001 NEIFHDRWAGTEFI-UHFFFAOYSA-N 411.527 3.273 0 40 HGAB CCCCNC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(OC)c(Cl)c1 20005884 FEYZDQQHMSUBKO-GOSISDBHSA-N 424.950 3.155 0 40 HGAB COc1ccc(NC(=O)[C@H](NC(=O)[C@@H]2Cc3ccccc3CN2)c2ccccc2)cc1 35380382 PWZUGYRLXOMINL-XZOQPEGZSA-N 415.493 3.206 0 40 HGAB Cc1cc(I)ccc1NC(=O)c1nn(C)c(=O)c2ccccc12 3275157 BSTDWUDRBBUZIP-UHFFFAOYSA-N 419.222 3.099 0 40 HGAB C[C@@H](NCc1ccccc1CN1CCCC1)C(=O)Nc1ccc(N2CCOCC2)cc1 57293316 SICGCOWSGAAYFV-HXUWFJFHSA-N 422.573 3.236 0 40 HGAB CCOC(=O)c1sccc1NC(=O)Cn1c(-c2ccc(F)cc2)nc(C)cc1=O 57522357 IBGQJJCESVVQGH-UHFFFAOYSA-N 415.446 3.235 0 40 HGAB Cc1ccc(NC(=O)COc2cc(CC(=O)NC3CC3)nc(-c3ccccc3)n2)cc1 57522500 HYOYVUOCTDFZNC-UHFFFAOYSA-N 416.481 3.291 0 40 HGAB CCn1cc(CN2[C@@H]3CC[C@@H]2CC(O)(Cn2nc(C)ccc2=O)C3)c2ccc(F)cc21 100737924 NDJCREJKNMEMCJ-WOJBJXKFSA-N 424.520 3.224 0 40 HGAB CCCn1c(N2CCN(C(=O)C(C)(C)C)CC2)nc2sc3c(c2c1=O)CCCC3 20716754 XQVGQZCHXVNKQX-UHFFFAOYSA-N 416.591 3.442 0 40 HGAB CCCCCNC(=O)CN1CC[C@]2(O)CCCC[C@@H]2[C@H]1c1ccc(O)c(OC)c1 2156081 COYIMEITIZUVMK-SXSPYAJSSA-N 404.551 3.375 0 40 HGAB biogenic CCC[C@@H](NC(=O)[C@@H](C)Oc1ccc2c3c(c(=O)oc2c1C)CCCC3)C(=O)O 2118260 ZIJZMHVMJCIGHL-CXAGYDPISA-N 401.459 3.117 0 40 HGAB biogenic NC(=O)[C@@H](NC(=O)COc1ccc2ccccc2c1)c1ccc(Br)cc1 58331464 MXCYOLVBRNWXGC-IBGZPJMESA-N 413.271 3.324 0 40 HGAB COc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)NC1CCSCC1 58430344 KUWBHRRXDDEFKA-UHFFFAOYSA-N 410.495 3.117 0 40 HGAB NC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccco3)n2Cc2ccco2)cc1 2393714 LJADCGNBEOUYGZ-UHFFFAOYSA-N 423.454 3.009 0 40 HGAB COc1cccc(-c2cc(C(=O)NC[C@@H](C)Cn3cccn3)c3c(C)nn(C)c3n2)c1 36616005 MTMNPAPXPYDEKA-OAHLLOKOSA-N 418.501 3.215 0 40 HGAB CCOc1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccccc3)[C@H]2c2ccccc2)cc1 409061677 ZQUPPOGHRLIVBJ-UMVGZDFWSA-O 414.485 3.101 0 40 HGAB CN(CC(=O)Nc1ccc(Br)cc1)Cc1ccccc1N1CCOCC1 12783093 MGOPIMCUNLQKRE-UHFFFAOYSA-N 418.335 3.356 0 40 HGAB CCOC(=O)C1=C(c2ccccc2)NC(=O)N[C@H]1c1cc(OC)c(OC)c(OC)c1 2573561 KQBDQWSNFWMTIU-IBGZPJMESA-N 412.442 3.041 0 40 HGAB O=C(Nc1ccc2c(c1)OCO2)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 3461990 APOGHSCUXLZSMV-UHFFFAOYSA-N 422.890 3.108 0 40 HGAB Cc1ccc(NC(=O)CN(C)C(=O)C2=NN(c3cc(C)ccc3C)C(=O)CC2)cc1 8374435 XHSNKGGMQQPPEC-UHFFFAOYSA-N 406.486 3.192 0 40 HGAB CC[C@@]1(c2ccc(OC)cc2)NC(=O)N([C@@H](C)C(=O)Nc2ccc(C(C)=O)cc2)C1=O 8315479 HCADPMVUPBKYMP-PSLXWICFSA-N 423.469 3.082 0 40 HGAB C[C@H](NC(=O)COc1ccccc1)C(=O)N1CC=C(c2c[nH]c3ccccc23)CC1 12986321 WTMNZQSFLXHEBV-KRWDZBQOSA-N 403.482 3.367 0 40 HGAB Cc1ccc(O[C@@H](C)C(=O)N2CCN(CC(=O)Nc3ccccc3Cl)CC2)cc1 12976050 NNARYXHLWKYTEN-KRWDZBQOSA-N 415.921 3.199 0 40 HGAB O=C(Nc1ccc(I)cc1)[C@@H]1CCCN(C(=O)c2ccoc2)C1 13012884 KKZCILVAHYPPGU-GFCCVEGCSA-N 424.238 3.375 0 40 HGAB O=C(Cn1cnc2sccc2c1=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1 13021547 NDHACROUUAXDIA-UHFFFAOYSA-N 422.441 3.488 0 40 HGAB CCOc1ccc(S(=O)(=O)N(CC(=O)N(CC)CC)Cc2ccccc2)cc1 408626548 ZNKYCDLFACDXSF-UHFFFAOYSA-N 404.532 3.145 0 40 HGAB CC(C)CNC(=O)COC(=O)[C@@H](CC(C)C)NC(=O)c1ccc(Cl)cc1Cl 4286382 DSQLWYVJGNYOQK-MRXNPFEDSA-N 417.333 3.453 0 40 HGAB COc1ccc(OCC(=O)Nc2ccc3c(c2)nc(CCN2CCCC2)n3C)cc1 5205384 JJOMGIFDRQCIIO-UHFFFAOYSA-N 408.502 3.238 0 40 HGAB CN(C)c1cccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)c1 6368662 HHOKOONFHGYBID-UHFFFAOYSA-N 402.501 3.262 0 40 HGAB COc1ccc(CNC(=O)CSc2nnc(COc3ccccc3C)n2C)cc1 4657463 NOZDNYJCMZJYGK-UHFFFAOYSA-N 412.515 3.120 0 40 HGAB CCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(C(F)(F)F)cc2)cc1 4777964 IXGIRHRPGFYSSO-UHFFFAOYSA-N 416.421 3.411 0 40 HGAB CCOc1ccccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 4942443 DOKWWUGHGSDQBB-CQSZACIVSA-N 416.861 3.274 0 40 HGAB COc1ccc(-c2noc(CN(C)C(=O)COc3cc(C)ccc3C)n2)cc1OC 4943778 JXPFQKPAWFXAEL-UHFFFAOYSA-N 411.458 3.408 0 40 HGAB COC(=O)c1sccc1S(=O)(=O)N1CC=C(c2c[nH]c3ccccc23)CC1 15545078 BIGZQTGTVFLNAB-UHFFFAOYSA-N 402.497 3.494 0 40 HGAB CCCn1c(SCC(=O)Nc2nc(-c3cc(F)ccc3F)cs2)n[nH]c1=O 7529254 CTBCPLCSXFKGEC-UHFFFAOYSA-N 411.459 3.114 0 40 HGAB CC(=O)c1ccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1 7683748 MQUUNJMPQHCEDG-GOSISDBHSA-N 406.891 3.334 0 40 HGAB COc1ccc(CCc2nnc(NC(=O)[C@@H]3CC(=O)N(c4ccccc4)C3)s2)cc1 9095540 FXCUAHJMMGUABT-MRXNPFEDSA-N 422.510 3.324 0 40 HGAB COc1ccccc1N1CCN(C(=O)C[C@@H]2c3ccccc3C=CN2C(C)=O)CC1 7752088 FNZRBLFHEZBLDJ-JOCHJYFZSA-N 405.498 3.308 0 40 HGAB Cc1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1OCC(=O)N1CCCCC1 408678759 VCRAAZULUYBELK-UHFFFAOYSA-N 406.479 3.326 0 40 HGAB C[C@@H](NC(=O)CN1c2cccc3cccc(c23)S1(=O)=O)c1nc2ccccc2[nH]1 9338194 PVFCOUASSUMCGT-CYBMUJFWSA-N 406.467 3.102 0 40 HGAB COc1ccc(OCc2nnc(S[C@H](C)c3nc4ccccc4c(=O)[nH]3)n2C)cc1 9304242 XBPWKOKEUVUXGX-CYBMUJFWSA-N 423.498 3.493 0 40 HGAB Nn1c(SCCOc2ccc(F)cc2)nc2ccc(Br)cc2c1=O 71768762 WAIYPEBPWDYJLD-UHFFFAOYSA-N 410.268 3.183 0 40 HGAB O=C(NCCn1ccc2ccc(Cl)cc21)c1cc(-n2cnnn2)ccc1Cl 72405998 YEDLRRJZSDMTFV-UHFFFAOYSA-N 401.257 3.354 0 40 HGAB O=C(CSc1nnnn1C[C@H]1CCCO1)Nc1ccccc1Cc1ccccc1 9885335 SLULTRTWAMMXMQ-GOSISDBHSA-N 409.515 3.174 0 40 HGAB CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1NC(=O)C=C1CN(C(=O)OC(C)(C)C)C1 95444724 MVIWNPCBGXDBEP-HZPDHXFCSA-N 409.527 3.116 0 40 HGAB Cc1nn(-c2ccc(C(=O)N[C@H]3CCCc4c3cnn4C)cc2)c(C)c1CCC(=O)O 95424311 ZQYMMJLCEDJRHA-FQEVSTJZSA-N 421.501 3.047 0 40 HGAB CN(C(=O)COc1ccccc1Cl)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 89335248 ZSGHSAPCPXFDTG-CQSZACIVSA-N 400.283 3.359 0 40 HGAB Cc1ccc(-c2csc(NC(=O)CCNS(=O)(=O)c3c(C)noc3C)n2)cc1 29152315 PWCMUDKLZBSYOR-UHFFFAOYSA-N 420.516 3.030 0 40 HGAB CC(C)C(=O)NC[C@H]1CCCN(Cc2nnc(-c3cccc(Br)c3)o2)C1 60361071 YSDFCNHIWOWXMQ-CQSZACIVSA-N 421.339 3.483 0 40 HGAB CC(C)Cn1c(SCC(=O)NC2CCCCCCC2)nnc1N1CCOCC1 39982447 DGCMTSSSBWYNAQ-UHFFFAOYSA-N 409.600 3.092 0 40 HGAB CCOc1ccccc1-n1c(SCCN2CCOCC2)nnc1-c1cccnc1 35313004 HGMPNFKYCNAZMD-UHFFFAOYSA-N 411.531 3.152 0 40 HGAB COc1ccc(C)cc1S(=O)(=O)NCCCCN1CCO[C@@H](c2ccccc2)C1 36700394 RXEABGHFTSDILF-OAQYLSRUSA-N 418.559 3.136 0 40 HGAB CC[C@@H](OC(=O)[C@H]1CC(=O)N(c2ccc(OC)cc2OC)C1)C(=O)c1ccccc1 408654522 QSVVHKQSUCATEL-QFBILLFUSA-N 411.454 3.261 0 40 HGAB COc1ccc(C)cc1CC(=O)N1CCNC(=O)[C@@H]1c1ccccc1C(F)(F)F 541007600 CARJTVRJDPRZQF-IBGZPJMESA-N 406.404 3.265 0 40 HGAB O=C(c1cc[nH]n1)N1CC[C@@H](c2cc(CCOc3cccc(C(F)(F)F)c3)[nH]n2)C1 72380210 NWSKLWUHYKEDFO-CYBMUJFWSA-N 419.407 3.403 0 40 HGAB CCc1ccc2[nH]c(CSCC(=O)NCc3ccc4c(c3)OCO4)cc(=O)c2c1 33064277 MMHBWSGVCJTXQL-UHFFFAOYSA-N 410.495 3.369 0 40 HGAB Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)COc2ccc(Cl)cc2)CC1 36447041 XMGXKYNMMUJWQK-UHFFFAOYSA-N 415.921 3.119 0 40 HGAB Cc1noc2c1C1=NCCN1C(=O)N2CC(=O)N(C1CCCCC1)C1CCCCC1 72342293 HUCQJIQWDDJZLQ-UHFFFAOYSA-N 413.522 3.479 0 40 HGAB CCc1nnsc1C(=O)N1CCC[C@H](c2cc(-c3ccc(N)nc3)cc(C)n2)C1 72353695 PAKSJTYAXWCPFC-HNNXBMFYSA-N 408.531 3.468 0 40 HGAB COc1ccc(CCNC(=O)N(C)[C@@H]2CCCN(c3ccccc3)C2=O)c(OC)c1 522446563 DAEJSBYYOXGOQP-HXUWFJFHSA-N 411.502 3.083 0 40 HGAB COc1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1OC 47157134 ZXMQBBSOCKZHMH-UHFFFAOYSA-N 404.488 3.131 0 40 HGAB CC[C@H](C(=O)NCCOc1ccc(C)cc1C)N(c1ccccc1)S(C)(=O)=O 224298919 ACGCWHZIYPOBBZ-LJQANCHMSA-N 404.532 3.043 0 40 HGAB C[C@@H](CCc1ccccc1)NC(=O)[C@@H](C)N(c1ccc(F)c(F)c1)S(C)(=O)=O 220454991 QJIGSSMDIKZZLF-LSDHHAIUSA-N 410.486 3.257 0 40 HGAB CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(C)cn1 223642687 QLKDVURGGOMAQZ-RTWAWAEBSA-N 421.526 3.111 0 40 HGAB CC(C)n1c(=O)sc2cc(NC(=O)c3ccc(NS(C)(=O)=O)cc3)ccc21 225146248 WKLUJUXDOIOJOK-UHFFFAOYSA-N 405.501 3.268 0 40 HGAB Cc1ccc(C)c(N([C@@H](C)C(=O)NCCOc2ccc(C)c(C)c2)S(C)(=O)=O)c1 224042704 RFDQGAOEEJGRTP-IBGZPJMESA-N 418.559 3.270 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)NCCC1=CCCCC1 222927647 UXFGEJDGMGDXIN-UHFFFAOYSA-N 420.575 3.419 0 40 HGAB COc1ccc(N([C@@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)CCC3)S(C)(=O)=O)cc1 223170873 IPDPUGSZZHABCA-HOTGVXAUSA-N 416.543 3.216 0 40 HGAB Cc1ccccc1OCCNC(=O)CCCN(c1cccc(Cl)c1)S(C)(=O)=O 224630482 PZQJQIUUAQZKSL-UHFFFAOYSA-N 424.950 3.390 0 40 HGAB CCOC(=O)N1CCN(C(=O)c2ccc(OC)c(COc3ccc(C)cc3)c2)CC1 224127827 ZJEJTGMXQJJONC-UHFFFAOYSA-N 412.486 3.497 0 40 HGAB CC1(C)CCc2cc(S(=O)(=O)NCc3nc(-c4cccs4)no3)ccc2O1 223776057 BISDYCSEXDJFNJ-UHFFFAOYSA-N 405.501 3.380 0 40 HGAB S=C1N[C@H](c2ccccn2)[C@@H](c2ccc(Cl)s2)N1CCN1CCOCC1 223125764 FYWZDWDQTWFZCR-IAGOWNOFSA-N 408.980 3.101 0 40 HGAB CCS(=O)(=O)[C@@](Cl)(I)[C@H](O)c1cccc(Cl)c1 96520081 BGNQGIPTHGWQLU-ZJUUUORDSA-N 409.072 3.136 0 40 HGAB CC(=O)NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H](N(C)C(=O)c2ccccc2F)CC1 257343227 ZRZRCQCUWJPNRI-CQOQZXRMSA-N 412.505 3.275 0 40 HGAB O=C(NS(=O)(=O)c1ccccc1C(F)(F)F)c1ccc(Oc2ncccn2)cc1 257248782 JFDZYMYYQNWPSY-UHFFFAOYSA-N 423.372 3.406 0 40 HGAB CC(C)Cn1ccc2c(OCC(=O)N3C[C@@H]4C[C@H](C3)c3cccc(=O)n3C4)cccc21 257198533 BUPONMRJQVQLKY-RBUKOAKNSA-N 419.525 3.484 0 40 HGAB CCNc1nc(NCC)n2nc(S[C@@H](C)C(=O)c3ccc(Cl)cc3)nc2n1 643786 BRKCKSRSMPWBQB-JTQLQIEISA-N 405.915 3.400 0 40 HGAB Cc1cc2n(n1)C1(CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC1)CC(=O)N2C 1772596202 UOLVULDNXMRTTF-UHFFFAOYSA-N 406.408 3.208 0 40 HGAB O=C(Cn1c(=O)n(Cc2cccs2)c2ncccc21)N1CCC[C@H]2CCCC[C@@H]21 12117477 FITIENUUXLKEAT-AEFFLSMTSA-N 410.543 3.489 0 40 HGAB COc1ccc(CNC(=O)[C@@H](c2ccccc2)N(C(=O)c2csnn2)C2CC2)cc1 12872909 KCVNTYFHVFRRFG-HXUWFJFHSA-N 422.510 3.209 0 40 HGAB Cc1cccc(CCCNC(=O)CN(c2ccc(C)c(Cl)c2)S(C)(=O)=O)c1 13669678 QFUZJXZBPWXBNS-UHFFFAOYSA-N 408.951 3.472 0 40 HGAB CC(C)Cc1nn2c(=O)cc(COC(=O)COc3ccccc3Cl)nc2s1 15734046 PVYTXWIQCMJYCP-UHFFFAOYSA-N 407.879 3.125 0 40 HGAB COc1ccc([C@@H](c2ccccc2)N2CCN(C(=O)[C@@H](C)n3ccnc3)CC2)cc1 19079059 XDNJWNOFZUCUIB-AUSIDOKSSA-N 404.514 3.387 0 40 HGAB CC(C)c1nc(N2CCC(NC(=O)c3ccncc3)CC2)ncc1-c1ccncc1 19451665 QROUIDWOHBZDMZ-UHFFFAOYSA-N 402.502 3.456 0 40 HGAB CCc1nc2cc(NC(=O)CN3C(=O)N[C@@]4(CCCC[C@@H]4C)C3=O)ccc2n1CC 19523207 UFBUIQHBZUKTMV-RCDICMHDSA-N 411.506 3.058 0 40 HGAB CNC(=O)[C@]1(Cc2cc(-c3ccccc3)no2)CCN(C(=O)c2ccc(F)cc2)C1 19695755 IHSRTNJILGPPQX-QHCPKHFHSA-N 407.445 3.302 0 40 HGAB CNc1cc(C(=O)N2CCC[C@@H](c3nc(C)c4c(n3)N(CC3CC3)CCC4)C2)ccn1 19707003 OBBPFIKRYAFLOK-LJQANCHMSA-N 420.561 3.404 0 40 HGAB Cc1noc(CCC(=O)N2CCC[C@H]2c2ncc(C(=O)Nc3ccccc3)c(C)n2)n1 19755363 JEEHIUGGJBXWAW-SFHVURJKSA-N 420.473 3.025 0 40 HGAB Cc1ccc(Cl)cc1N1CCN(S(=O)(=O)c2ccc3nc(O)oc3c2)CC1 19936412 CZDVGVRAIZIENQ-UHFFFAOYSA-N 407.879 3.006 0 40 HGAB COc1ccc(OC)c(S(=O)(=O)Nc2ccccc2C(=O)NCc2ccco2)c1 6328833 OEANHNVAONJZMP-UHFFFAOYSA-N 416.455 3.028 0 40 HGAB COc1ccc(-c2noc(CCC(=O)N3CCN(c4ccccc4OC)CC3)n2)cc1 4901501 PGIFBOLFLOFPMI-UHFFFAOYSA-N 422.485 3.035 0 40 HGAB O=C(NCc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc2c(c1)ncn2C1CC1 19714305 YWFXDZLSSOZDCF-UHFFFAOYSA-N 424.526 3.086 0 40 HGAB CC(C)(C)c1ccc(=O)n(C2CCN(C(=O)COc3ccc(Cl)cc3)CC2)n1 1775995300 MRIVXCZUXQIKGT-UHFFFAOYSA-N 403.910 3.437 0 40 HGAB Cc1ccc(N(C(=O)c2cc3ccccc3oc2=O)[C@H]2C=CS(=O)(=O)C2)cc1C 4165442 QBHSTEFAMYWRMC-SFHVURJKSA-N 409.463 3.367 0 40 HGAB CCn1cc(C(=O)OCC(=O)Nc2cc(Cl)ccc2C)c(=O)c2ccc(C)nc21 6635136 CSORVCMFNUTLPP-UHFFFAOYSA-N 413.861 3.482 0 40 HGAB O=C(c1ccc2c(c1)OCO2)N1CCN(c2nccn2-c2cccc(Cl)c2)CC1 11695709 FQGIHWKNJNPVAT-UHFFFAOYSA-N 410.861 3.217 0 40 HGAB O=C(NCCOc1ccc2nnc(-c3ccccc3)n2n1)c1c(F)cccc1Cl 12443197 CMZVRNCFSVYMPI-UHFFFAOYSA-N 411.824 3.393 0 40 HGAB CCOc1ccc(NC(=O)CCc2csc(NC(=O)c3ccc[nH]c3=O)n2)cc1 16851224 RRPCOWYSVIQVEC-UHFFFAOYSA-N 412.471 3.054 0 40 HGAB COc1cccc(SCC(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)c1 40140111 AQVCJOWLYMSDIW-UHFFFAOYSA-N 408.526 3.439 0 40 HGAB O=c1cccc2n1C[C@H]1C[C@H]2CN(c2nc(Cl)nc(NC3CCCCC3)n2)C1 100164235 JATNKKQDKALHLG-KBPBESRZSA-N 400.914 3.055 0 40 HGAB O=C1COc2ccc(C(=O)COC(=O)CCCc3nc4ccccc4s3)cc2N1 2656844 KFJMLEXIEDURAT-UHFFFAOYSA-N 410.451 3.376 0 40 HGAB O=C(COC(=O)CCCc1nc2ccccc2s1)NCc1ccc2c(c1)OCO2 2657563 QKTGTHMPVFCRNY-UHFFFAOYSA-N 412.467 3.207 0 40 HGAB O=C(Cc1csc(-c2ccsc2)n1)N(Cc1ccco1)[C@H]1CCS(=O)(=O)C1 32747513 JAIBCXXMKNYVCD-HNNXBMFYSA-N 422.553 3.223 0 40 HGAB COc1ccc(-c2nc(CSCC(=O)N3CCO[C@@H](C)C3)cs2)cc1OC 32779076 YCCLEOQOEYIJSC-ZDUSSCGKSA-N 408.545 3.308 0 40 HGAB Cc1ccc(NC(=O)[C@@H](C)OC(=O)C2CCN(C(=O)OCC(F)(F)F)CC2)cc1 32869281 ICJGYGZRDCKFQC-CYBMUJFWSA-N 416.396 3.276 0 40 HGAB CCOc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1 4574888 RJSSHOQOJFPWMG-CQSZACIVSA-N 416.861 3.274 0 40 HGAB COC(=O)c1ccccc1NC(=O)c1cc(N2CCCCS2(=O)=O)ccc1Cl 12195831 ULFDDGSLZLIOIV-UHFFFAOYSA-N 422.890 3.309 0 40 HGAB COc1ccc(C)cc1S(=O)(=O)N1CCC(C(=O)Nc2ccc(C)cc2)CC1 6300314 QVRRZUYWSOYDHO-UHFFFAOYSA-N 402.516 3.351 0 40 HGAB C[C@@H](OC(=O)c1n[nH]c(=O)c2ccccc12)C(=O)c1ccc(NC(=O)C(C)(C)C)cc1 7676054 XHADUUQVXJBJNM-CYBMUJFWSA-N 421.453 3.336 0 40 HGAB O=C([C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1)N1CCCCC1 7870954 FFDMXKZISGOYMU-IBGZPJMESA-N 406.935 3.242 0 40 HGAB CC[C@@H](C)NC(=O)CSc1nc2ccccc2c(=O)n1CCCN(CC)CC 8346123 DJNGILHRJZTQIL-MRXNPFEDSA-N 404.580 3.135 0 40 HGAB COc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)cc(Br)c1O 663769 VBHANTJIZKDOQH-VGOFMYFVSA-N 421.222 3.395 0 40 HGAB Cc1ccc(C)c(S(=O)(=O)NCc2ccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)c1 630812 TZQFKLOTXJPZDP-QZTJIDSGSA-N 416.543 3.031 0 40 HGAB CC[C@H](Oc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 804536 DIGPEQAGZSJXRL-SFHVURJKSA-N 412.471 3.074 0 40 HGAB O=C(NCCc1ccc2c(c1)OCCO2)c1ccc(Cn2nnc3ccccc32)cc1 9534959 YTJJNTPBMQVKCF-UHFFFAOYSA-N 414.465 3.223 0 40 HGAB COc1ccccc1NC(=O)C[C@@H]1C(=O)N(C[C@H]2CCCO2)c2nc3ccccc3n21 23382188 ZNTADTSTSTUAAH-DNVCBOLYSA-N 420.469 3.140 0 40 HGAB CC(=O)Nc1cc(NC(C)=O)cc(C(=O)N2CCC[C@@H](C(=O)Nc3ccccc3)C2)c1 23422500 LGEZPFYLEAALTI-QGZVFWFLSA-N 422.485 3.094 0 40 HGAB C[C@H](NC(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@H]1C[C@H]2CC[C@H]1C2 104811665 DLKWLPDCMYKTLD-MCNSAMFCSA-N 404.576 3.345 0 40 HGAB CC(=O)c1sc(NC(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)nc1-c1ccccc1 23682903 IYEBNRBUZOAUBQ-ORAYPTAESA-N 401.513 3.405 0 40 HGAB CC(C)(C)NC(=O)CN1CCCN(C(=O)c2ccc(C3SCCS3)cc2)CC1 24181602 VALHTDUPXGWCFT-UHFFFAOYSA-N 421.632 3.228 0 40 HGAB Cc1nnc(SCC(=O)Nc2cccc(C(=O)NC3CC3)c2)n1Cc1ccccc1 12582793 NAQZUHUUPPEZQT-UHFFFAOYSA-N 421.526 3.258 0 40 HGAB CCOC(=O)c1ccccc1NC(=O)CN(c1c(C)cc(C)cc1C)S(C)(=O)=O 22381857 GCLAJMFLPSZNJB-UHFFFAOYSA-N 418.515 3.193 0 40 HGAB CCCCn1c(=O)c2sccc2n(CC(=O)Nc2cc(Cl)ccc2OC)c1=O 57427345 VFXWDQJLNLQTHZ-UHFFFAOYSA-N 421.906 3.326 0 40 HGAB O=C(CSc1ncnc2nc(N3CCOCC3)sc12)NCCC1=CCCCC1 57506795 ABMVFESXFLQMMW-UHFFFAOYSA-N 419.576 3.022 0 40 HGAB COc1ccc(NC(=O)[C@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)cc1OC 113940368 SBPGNINWWQOVMF-LBPRGKRZSA-N 412.895 3.150 0 40 HGAB C[C@H](NC(=O)[C@@H](C)N(c1ccc(F)c(F)c1)S(C)(=O)=O)c1ccc(F)cc1 113956780 PDPHAZUBVJTCLY-NWDGAFQWSA-N 400.422 3.136 0 40 HGAB CCN1C[C@@H](CN(C)CCS(=O)(=O)c2ccc(Cl)cc2)Oc2ccccc21 27543686 ZJFKFUGLXNRHOD-QGZVFWFLSA-N 408.951 3.333 0 40 HGAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccccc3C(N)=O)c2)cc1 10332949 WZFSZZGOBIQDIZ-UHFFFAOYSA-N 409.467 3.147 0 40 HGAB OCCNCCNCc1cc(Br)ccc1OCc1ccccc1Cl 23468454 YNZLIFVEWURYIA-UHFFFAOYSA-N 413.743 3.353 0 40 HGAB O=C(NC1CCN(C(=O)Cc2csc(-c3ccccn3)n2)CC1)c1ccccc1 10781529 BXDSWQQTNHPMRU-UHFFFAOYSA-N 406.511 3.169 0 40 HGAB Cc1ccnc2nc(C(=O)Nc3ccccc3C(=O)N[C@@H](C)c3ccccc3)nn12 12789814 RRJGQAXKXGKEIO-HNNXBMFYSA-N 400.442 3.176 0 40 HGAB CC(C)c1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC(=O)NC[C@H]1CCCO1 11120291 GSBQXJWUSMXHRO-QGZVFWFLSA-N 414.527 3.281 0 40 HGAB COc1ccc(CNC(=O)[C@@H](C)OC(=O)c2cc(C3CC3)nc3onc(C)c23)cc1 12817738 RTCJLQGIAAFCOU-CYBMUJFWSA-N 409.442 3.279 0 40 HGAB CCCn1c(=O)n(CN2CCC(C(=O)NCc3ccccc3)CC2)c2ccccc21 12813097 JAOCPGBRKXAAJI-UHFFFAOYSA-N 406.530 3.199 0 40 HGAB Cc1ccc([C@]2(C)NC(=O)N(CC(=O)c3cc(C)n(-c4ccon4)c3C)C2=O)cc1 3412674 AUUINHBEYUMIRB-QFIPXVFZSA-N 406.442 3.040 0 40 HGAB Cn1c(SCC(=O)Nc2ccccc2Br)nc2ccccc2c1=O 3507274 UHSUIJZOGQAIJX-UHFFFAOYSA-N 404.289 3.427 0 40 HGAB Cc1cc(Br)cc(C)c1NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OCC(C)C 18193983 RRWULTHAMIGOCI-CABCVRRESA-N 413.312 3.232 0 40 HGAB COc1ccc(-c2c(C)oc3cc(OCC(=O)N4CCC[C@H]4CO)ccc3c2=O)cc1 8765067 WJHCQPWZJILSGH-KRWDZBQOSA-N 423.465 3.139 0 40 HGAB biogenic CCc1ccc(-c2n[nH]c(SCC(=O)N3CCN(c4ccccc4)CC3)n2)cc1 5178729 HBPYAQNGSUQLNN-UHFFFAOYSA-N 407.543 3.475 0 40 HGAB COc1cccc(-c2noc(COC(=O)C[C@@H]3Sc4ccccc4NC3=O)n2)c1 5288953 OLSCGRYTELJBSZ-INIZCTEOSA-N 411.439 3.292 0 40 HGAB COC(=O)[C@H](CC(C)C)NC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 5249736 YENIVMRLAMCXSE-INIZCTEOSA-N 401.429 3.125 0 40 HGAB COC(=O)c1ccccc1NS(=O)(=O)c1ccc(NC(=O)N2CCCCC2)cc1 408563744 WZWLSMLYSRBJNL-UHFFFAOYSA-N 417.487 3.292 0 40 HGAB Cc1nn(C)c(Cl)c1C(=O)OCC(=O)Nc1ncc(C(F)(F)F)cc1Cl 14157864 GHIMPPPLGSQOGJ-UHFFFAOYSA-N 411.167 3.245 0 40 HGAB O=S(=O)(c1ccccc1Br)N1CCC[C@@H]1c1nnc2ccccn12 14188399 QQFVBEVFPKOIOR-CYBMUJFWSA-N 407.293 3.018 0 40 HGAB CC(=O)N1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2ccc(C)cc2C)CC1 14201170 WBTHECXCVCLMNU-UHFFFAOYSA-N 402.498 3.460 0 40 HGAB Cc1ccc(NC(=O)CN(C)CC(=O)Nc2ccccc2C(=O)NC2CCCC2)cc1 6551823 CBRHSUCLCCKPKO-UHFFFAOYSA-N 422.529 3.176 0 40 HGAB CC[C@]1(c2ccc(OC)cc2)NC(=O)N(CC(=O)Nc2ccc(Cl)cc2)C1=O 5797779 AJIFXOPLOWNLFU-HXUWFJFHSA-N 401.850 3.144 0 40 HGAB COCC(=O)N1c2ncnn2[C@H](c2ccccc2OC)C[C@@H]1c1ccc(OC)cc1 4816993 VJHXOQCTLPFANZ-MOPGFXCFSA-N 408.458 3.009 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2C(=O)c1cccnc1 4942521 WNPYGFBILUSOAV-UHFFFAOYSA-N 409.467 3.066 0 40 HGAB CCC(C)(C)C1CCC(NC(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)CC1 7279056 OSQTYOIYOSYXIM-XCNDVJPKSA-N 411.546 3.491 0 40 HGAB CC(C)Oc1ccccc1NC(=O)c1ccc(N2C(=O)C(C)(C)CS2(=O)=O)cc1 15843236 WCFSQPGBHOHQND-UHFFFAOYSA-N 416.499 3.429 0 40 HGAB COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)N1CCC(c2c[nH]c3ccccc23)CC1 96012595 OSUWUTQEXDBAFW-XLIONFOSSA-N 404.532 3.409 0 40 HGAB CC(=O)NCCc1ccc(C(=O)COC(=O)c2c(-c3ccccc3)noc2C)s1 16812126 QZDSLULCHLDHKU-UHFFFAOYSA-N 412.467 3.430 0 40 HGAB Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1[C@H](NC(=O)c1ncoc1C)C(=O)O 95463938 BMJXVEYOVQGMGD-INIZCTEOSA-N 422.363 3.360 0 40 HGAB CCCCn1c(COC(=O)C[C@H](CC)SC)nc2cc(S(N)(=O)=O)ccc21 89955494 WBXGZUVKLXNEAZ-ZDUSSCGKSA-N 413.565 3.059 0 40 HGAB CCCCCc1c(O)nc(SCCN2CCOCC2)n(-c2ccccc2)c1=O 20059465 XBQGLQYGZAHYIS-UHFFFAOYSA-N 403.548 3.095 0 40 HGAB CN(c1ccccc1C(=O)N1CC(=O)Nc2ccccc21)S(=O)(=O)c1ccccc1 408621471 SEZICDOIBOONOV-UHFFFAOYSA-N 421.478 3.111 0 40 HGAB COc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@H]3c4ccccc4C=CN3[C@@H](C(C)=O)[C@@H]2C1=O 35843155 ULBVRRNILONBHC-IVAOSVALSA-N 422.868 3.453 0 40 HGAB CC1CCN(c2nn(CC(=O)Nc3ccc4c(c3)OCO4)c(=O)c3ccccc23)CC1 33174959 XGHVGADSQKGKEO-UHFFFAOYSA-N 420.469 3.000 0 40 HGAB CCCCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)Nc1cccc(OC)c1 71745175 NWTABUWELSOPBW-QHCPKHFHSA-N 407.470 3.413 0 40 HGAB O=C(Nc1cccc(CNS(=O)(=O)c2ccc3c(c2)CCC3)c1)c1cccnc1 32815231 COZJUIRLYCBJTK-UHFFFAOYSA-N 407.495 3.301 0 40 HGAB Cc1ccccc1OC[C@H](C)NC(=O)c1ccc(CS(=O)(=O)N2CCCC2)cc1 219966758 UJOBEWWYGGBVCB-SFHVURJKSA-N 416.543 3.118 0 40 HGAB CCOC(=O)c1cc(COC)cc(NC(=O)N[C@@H](c2ccccc2)c2nc[nH]n2)c1 1562853353 NOIZDNOWXKMECO-SFHVURJKSA-N 409.446 3.039 0 40 HGAB O=c1c2sccc2n2c(=O)n(Cc3ccccc3F)nc2n1Cc1cccs1 64946475 HNMVQKZLOHIPER-UHFFFAOYSA-N 412.471 3.170 0 40 HGAB CCOc1ccc([C@H](C)NC(=O)[C@H](C)N(c2ccc(C)cc2)S(C)(=O)=O)cc1 30858262 GJXPNUVLFNLYKQ-IRXDYDNUSA-N 404.532 3.426 0 40 HGAB C[C@@H]1C[C@H](C(N)=O)c2ccccc2N1C(=O)COc1ccc(Br)cc1F 40069791 XJRMDJTWHFMVQL-RISCZKNCSA-N 421.266 3.361 0 40 HGAB COC(=O)Cn1c2c(sc1=O)[C@H](c1ccccc1)CC(=O)N2c1ccc(F)cc1 49548962 ULFWBGGTNUCTHX-INIZCTEOSA-N 412.442 3.422 0 40 HGAB O=C(NC1CCN(c2cc(C(F)(F)F)ncn2)CC1)c1cc(-c2cccs2)n[nH]1 225724120 DJCUZJUOUCVNSI-UHFFFAOYSA-N 422.436 3.346 0 40 HGAB Cc1ccc(N(CC(=O)Nc2ccc(Cc3ccncc3)cc2)S(C)(=O)=O)cc1 223619920 SAFNBELKPUBBGC-UHFFFAOYSA-N 409.511 3.386 0 40 HGAB CCc1ccc(N([C@H](C)C(=O)N[C@@H](C)COc2ccccc2C)S(C)(=O)=O)cc1 220290133 IIONAJXEJPUFMO-ZWKOTPCHSA-N 418.559 3.296 0 40 HGAB COC(=O)[C@H]1CN(C(=O)c2cccc(Nc3nc(C)cc(C)n3)c2)c2ccccc2O1 225914623 GEIJZZSWNPQVFW-HXUWFJFHSA-N 418.453 3.418 0 40 HGAB C[C@@H](C(=O)NCCCc1ccccc1Cl)N(c1cccc(F)c1)S(C)(=O)=O 220482009 BZMBXIRAYXQSIP-AWEZNQCLSA-N 412.914 3.383 0 40 HGAB COc1ccc(OC)c([C@H](C)NS(=O)(=O)c2ccc(SC)c(NC(C)=O)c2)c1 223707938 DHMHHUROYJPWRK-LBPRGKRZSA-N 424.544 3.424 0 40 HGAB O=C(NCCc1nc(-c2ccc(Cl)cc2)cs1)[C@@H](c1ccccc1)n1cnnn1 95479208 UGDXYHLCMWTWSW-LJQANCHMSA-N 424.917 3.398 0 40 HGAB CCc1ccc(C(=O)N2CCC[C@]3(C(=O)N(C)C)CN(c4ccccn4)C[C@@H]3C2)cc1 96251250 YDJKIXUHEJVBPX-OFVILXPXSA-N 420.557 3.091 0 40 HGAB CC(C)(C)C(=O)/C=c1\s/c(=C/c2cccs2)c(=O)n1Cc1ccccc1F 97993931 WDJFKNGFKMVTNH-YUQALFBESA-N 401.528 3.383 0 40 HGAB Cc1ccc(S(=O)(=O)NCc2nc(-c3cccc(Br)c3)no2)cc1 95481625 QWOCKNMVQZGAQE-UHFFFAOYSA-N 408.277 3.286 0 40 HGAB Cc1ccccc1-n1cc([C@@H]2NC(=N)Nc3nc4cc5c(cc4n32)OCCCO5)cn1 639406965 OTCZWUYJXRDSHH-HXUWFJFHSA-N 415.457 3.188 0 40 HGAB COc1cccc(CN2C[C@H]3CN(S(=O)(=O)Cc4cccc(C)c4)CC[C@H]32)c1 585107995 SMAUHBPXDGGIEU-RBBKRZOGSA-N 400.544 3.040 0 40 HGAB Cc1oc(-c2cccs2)nc1C(=O)N1C[C@H]2OCCN(Cc3ccccc3)[C@@H]2C1 84052864 IXKFTJXLSYBEFJ-QZTJIDSGSA-N 409.511 3.437 0 40 HGAB CN(C)S(=O)(=O)N1CCC[C@@H](c2cccc(-c3cnc4ccc(Cl)cn34)n2)C1 1615526021 NKHDQWIWABJFQZ-CQSZACIVSA-N 419.938 3.036 0 40 HGAB CCCOc1ccc(CO[C@H]2[C@@H]([C@@H]3COC(C)(C)O3)O[C@@H]3OC(C)(C)O[C@H]23)cc1 12660582 DCXWQAUMSHLOLW-PXTPFGJHSA-N 408.491 3.389 0 40 HGAB biogenic O=C(c1cccs1)N1CCC[C@H](c2nc(O)c3nnn(Cc4ccccc4)c3n2)C1 13150672 LFCFCGYSHJVNHZ-HNNXBMFYSA-N 420.498 3.057 0 40 HGAB CCS(=O)(=O)N1C[C@H](C(=O)Nc2ccccc2C(F)(F)F)Oc2ccccc21 13678007 PANRFEFRJMADQE-MRXNPFEDSA-N 414.405 3.261 0 40 HGAB O=C(c1cccnc1)N1CCC[C@H](c2cc3nc(C(F)(F)F)ccc3c(=O)[nH]2)C1 19337466 YKGWWWUBVZGEDE-ZDUSSCGKSA-N 402.376 3.357 0 40 HGAB CC(=O)N1CCc2cc(S(=O)(=O)N[C@@H](C)c3nc4ccccc4s3)ccc21 19459900 OWVZUAOXUFHBMB-LBPRGKRZSA-N 401.513 3.245 0 40 HGAB CC[C@@H](Cn1nc2c(cc1=O)CCCCC2)NC(=O)C1(c2ccc(OC)cc2)CC1 19520544 XHVCPHPNKYCLKB-IBGZPJMESA-N 409.530 3.147 0 40 HGAB COc1ccccc1N1C[C@@H](c2cc(=O)[nH]c(N[C@H]3CCc4ccccc43)n2)CC1=O 19571073 MJPUJDFQDJVRDP-WMZOPIPTSA-N 416.481 3.398 0 40 HGAB CS(=O)(=O)N1CCCc2ccc(NC(=O)Cc3nc4cc(Cl)ccc4[nH]3)cc21 19665396 SVMNKHHPKHTSKI-UHFFFAOYSA-N 418.906 3.110 0 40 HGAB Cc1cc(Cc2ccc(F)cc2)cc([C@H]2CCCN2S(=O)(=O)c2cn(C)cn2)n1 19691900 WZEJEIUDVGUQEL-HXUWFJFHSA-N 414.506 3.379 0 40 HGAB CNC(=O)c1sc2ncccc2c1[C@@H]1CN(Cc2cnc(C(C)C)nc2)CCO1 19703339 MEVFYMRUROHPGC-INIZCTEOSA-N 411.531 3.143 0 40 HGAB Cc1nn(C)c(C)c1CCNC(=O)c1cc(Cn2nccc2C)nc2ccccc12 19716429 QSTJQIWCTBRWHH-UHFFFAOYSA-N 402.502 3.111 0 40 HGAB COCCC(=O)N1CCC[C@H]1c1nc(C)c2c(n1)N(CC1CCCCC1)C(=O)CC2 19740690 BCYPVFUZAZUFAL-IBGZPJMESA-N 414.550 3.345 0 40 HGAB Cc1ncc(C(=O)N2CCCCC2)c([C@@H]2CCCN2C(=O)CC2(O)CCCCC2)n1 19752096 UPJLMJXXPQOPJQ-IBGZPJMESA-N 414.550 3.160 0 40 HGAB CNc1cc(CN(C)C(C)=O)nc([C@H]2CCCN2Cc2ccnc3ccccc23)n1 19760457 YRUMLJNNCXHGBP-OAQYLSRUSA-N 404.518 3.382 0 40 HGAB COc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccccc3C)C2)cc1 19857800 KHTZJFJXQXCZRH-KRWDZBQOSA-N 402.516 3.184 0 40 HGAB Cc1cc(C)nc(SCC(=O)N/N=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)n1 8336691 LZYFTVLURZRXDE-UFFVCSGVSA-N 410.455 3.294 0 40 HGAB Cc1cnn(CC(=O)N2CCCCNC(=O)c3cc(Cl)ccc3OCCCC2)c1 643555991 CWPJKIFHZXEBNT-UHFFFAOYSA-N 418.925 3.056 0 40 HGAB COc1ccc(-c2cc3nc([C@@H](C)NC(=O)[C@H]4CCC[C@@H](OC)C4)nn3cn2)cc1 12085084 DAPRARFVTOPTAE-UWWQBHOKSA-N 409.490 3.182 0 40 HGAB Cc1cc(-c2cnc(N3CCN(c4ncccn4)CC3)nc2-c2ccc(C)o2)on1 12186072 FDGZYYRGFVUCAR-UHFFFAOYSA-N 403.446 3.125 0 40 HGAB COc1ccc([C@@H]2CN(C(=O)Cc3ccccc3F)C[C@H]2c2cc(=O)[nH]c(C)n2)cc1 19285487 SAXBYYORDOWJMJ-VQTJNVASSA-N 421.472 3.178 0 40 HGAB O=C(NC1CN(c2cc(C(F)(F)F)ccn2)C1)C1(c2ccccc2)CCOCC1 1888863937 GZIRTKITRAGWBT-UHFFFAOYSA-N 405.420 3.154 0 40 HGAB CC(=O)N1CCC(C(=O)N2CCC(c3ccc4cc(Cl)cnc4n3)CC2)CC1 1890468594 GLETZEMUZVZUQL-UHFFFAOYSA-N 400.910 3.248 0 40 HGAB COCC(=O)N1CC[C@@H]2[C@H](C1)[C@@H](c1ccc(OC)cc1)CN2Cc1ccccc1OC 1848351927 VEFCWHCPWVHKPL-DNVJHFABSA-N 424.541 3.167 0 40 HGAB CCOC(=O)COc1cccc2c(=O)n(CC(=O)Nc3ccc(C)cc3C)ccc12 2712210 JPIPZKZQBDAPIA-UHFFFAOYSA-N 408.454 3.199 0 40 HGAB COc1ccccc1NC(=O)C(=O)NC[C@H](c1ccco1)N1CCc2ccccc21 4305319 GCBWZGKCVZUGNR-LJQANCHMSA-N 405.454 3.147 0 40 HGAB COc1cc(C)c(C)cc1S(=O)(=O)Nc1ccc2c(c1)OCC(C)(C)C(=O)N2 9168882 XEZNIRDDLSFWIX-UHFFFAOYSA-N 404.488 3.470 0 40 HGAB COc1ccc(-c2csc(NC(=O)CN3C(=O)c4ccccc4C3=O)n2)cc1OC 9363952 MVBYEHLBBWDOCK-UHFFFAOYSA-N 423.450 3.062 0 40 HGAB CC(C)Cc1nc(SCc2c(F)cccc2Cl)c2c(=O)n(C)c(=O)n(C)c2n1 9517426 ZMSNNPNWOOKHTA-UHFFFAOYSA-N 422.913 3.311 0 40 HGAB COc1ccc(Cc2nnc(SCC(=O)N(c3ccccc3)C(C)C)[nH]c2=O)cc1 12348440 HGNWVIVEFWSFFN-UHFFFAOYSA-N 424.526 3.298 0 40 HGAB O=C(c1ccc2ccccc2n1)N1CCC[C@@H](Oc2ncc(Br)cn2)C1 575611125 AMQHHYQZXOTXCV-OAHLLOKOSA-N 413.275 3.471 0 40 HGAB CCN1C(=O)c2cccc3c(S(=O)(=O)Nc4ccc(C(=O)OC)cc4)ccc1c23 8715841 RMTCDVNGKPNBIY-UHFFFAOYSA-N 410.451 3.407 0 40 HGAB CC(C)OC(=O)[C@H]1[C@H]2C=C[C@]3(CN([C@H](C)c4ccc(Br)cc4)C(=O)[C@H]13)O2 2244971 FGILBJXGENIYJK-CMJVQNDMSA-N 420.303 3.244 0 40 HGAB C[C@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)c2cnc3sccn3c2=O)C1 40091124 LPVBIRYDTVZSCO-OKILXGFUSA-N 410.499 3.126 0 40 HGAB CCCN(CCC)S(=O)(=O)c1c(C)nn(CC(=O)N[C@H]2CCCC[C@@H]2C)c1C 40155632 UXRKAUBWJLDKRE-YJBOKZPZSA-N 412.600 3.006 0 40 HGAB COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=C3S[C@H](C)C(=O)N32)cc1OC 2253402 RDGYCALCPGBODJ-SJKOYZFVSA-N 404.488 3.304 0 40 HGAB Cc1ccc(C(=O)OCCN2C(=O)c3ccccc3C2=O)cc1NC(=O)c1ccco1 3337075 GYCUBLHXCGLTCP-UHFFFAOYSA-N 418.405 3.293 0 40 HGAB COc1ccc2c(COC(=O)C[C@H]3Sc4ccccc4NC3=O)cc(=O)oc2c1 3363267 ANIJAGIIVRSADG-GOSISDBHSA-N 411.435 3.348 0 40 HGAB aggregator Cc1ccc2cc(CN(CCCO)C(=S)NCCc3ccccc3)c(=O)[nH]c2c1C 4132308 IEQUBNVXERMWBL-UHFFFAOYSA-N 423.582 3.447 0 40 HGAB CNC(=O)c1c(NC(=O)CCS(=O)(=O)c2ccccc2)sc2c1CC[C@@H](C)C2 4326494 AHDGWJHQIOWEQM-CYBMUJFWSA-N 420.556 3.035 0 40 HGAB CCNC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccc(C)cc1 5598017 YAOJBEJRPXCFKC-UHFFFAOYSA-N 411.321 3.089 0 40 HGAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccc(OC(F)(F)F)cc1 5867548 SNRDSAZMHSBUJP-UHFFFAOYSA-N 402.394 3.396 0 40 HGAB CCc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3)C2)cc1 5877612 VIGZLZNSBMKQHH-HNNXBMFYSA-N 400.862 3.437 0 40 HGAB COc1ccc(OC)c(-c2csc(NC(=O)c3nc4nc(C)cc(C)n4n3)n2)c1 6508897 ZELSHKHPCKKJSS-UHFFFAOYSA-N 410.459 3.134 0 40 HGAB CC(C)=CCOc1cc2oc(=O)c(CC(=O)N[C@@H](C)C(=O)O)c(C)c2cc1Cl 6624159 UIZUPHAGNYKQJR-LBPRGKRZSA-N 407.850 3.232 0 40 HGAB biogenic CC(C)C[C@H]1OCCn2c(-c3ccc(Cl)cc3)c3c(=O)n(C)c(=O)n(C)c3c21 6660883 SNTUHRSTGCVULF-OAHLLOKOSA-N 401.894 3.477 0 40 HGAB COc1ccc(CNC(=O)c2ccc3c(=O)n4c(nc3c2)CCCCC4)cc1OC 6947589 AVBYVKUGLNRUDU-UHFFFAOYSA-N 407.470 3.070 0 40 HGAB biogenic CC[C@@H](C)Cc1c(C)sc2nc(SCC(=O)NC[C@H]3CCCO3)[nH]c(=O)c12 7672481 BTXNQMPLPUOTSP-DGCLKSJQSA-N 409.577 3.269 0 40 HGAB Cc1ccc(N2C[C@@H](C(=O)Oc3ccc(N4C(=O)CCC4=O)c(C)c3)CC2=O)c(C)c1 7928590 XUPPZONXZHAATC-KRWDZBQOSA-N 420.465 3.224 0 40 HGAB C[C@H](NC(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1)c1ccc(F)cc1 8305374 BBLUAFPQUZNNPZ-HNNXBMFYSA-N 400.475 3.477 0 40 HGAB O=C(C[C@H]1SC(N2CCOCC2)=NC1=O)Nc1ccc(Oc2ccccc2)cc1 8391057 FMILAPBLTKKAIJ-GOSISDBHSA-N 411.483 3.138 0 40 HGAB COc1ccc(S(=O)(=O)NCc2ccc(Cl)cc2)cc1C(=O)N1CCCCC1 8560515 JAUITKBHBYXWRB-UHFFFAOYSA-N 422.934 3.453 0 40 HGAB CCN(C[C@H]1COc2ccccc2O1)C(=O)CSc1nc(-c2cccs2)n[nH]1 8850246 MNOBINFIEQNTOH-ZDUSSCGKSA-N 416.528 3.314 0 40 HGAB Cc1cc(S(=O)(=O)NC2CCCCC2)ccc1OCC(=O)N1CCCCCC1 9225876 BEXMPTJAMBQGAH-UHFFFAOYSA-N 408.564 3.387 0 40 HGAB O=C(CN1C(=O)c2ccccc2C1=O)Nc1nc2ccc(Br)cc2s1 9363949 LQKVPGZZVFYQAZ-UHFFFAOYSA-N 416.256 3.294 0 40 HGAB COc1ccc(Cc2nnc3n2N=C(c2ccc(NC(C)=O)cc2)CS3)cc1OC 9442197 LTDKZINDRFPQNF-UHFFFAOYSA-N 423.498 3.203 0 40 HGAB O=C(Nc1cccc(N2CCCC2=O)c1)[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1 9513880 NPMLBPDDMZJYGU-MRXNPFEDSA-N 411.889 3.454 0 40 HGAB Cc1ccc(S(=O)(=O)NCCOc2ccc(-c3ccc(F)cc3)nn2)c(C)c1 9852849 AZFBIWQQLKWARK-UHFFFAOYSA-N 401.463 3.257 0 40 HGAB CC[C@H](C)n1c(C)c(C)n2c3c(=O)n(Cc4cc(C)ccc4C)c(=O)n(C)c3nc12 10104240 YDTWCNJWFWJVPO-HNNXBMFYSA-N 407.518 3.402 0 40 HGAB COc1cc(C)c(NC(=O)CC2(CC(=O)N3CCOCC3)CCCC2)cc1OC 10109523 XBYCAYHCWSUAJM-UHFFFAOYSA-N 404.507 3.150 0 40 HGAB CCCc1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3cc(F)ccc3F)C2=O)cc1 11008960 GPJBASPWWRSUKJ-NRFANRHFSA-N 401.413 3.323 0 40 HGAB CC(=O)N1c2ccc([C@H](O)CN3CCC(O)(c4ccc(F)cc4)CC3)cc2C[C@@H]1C 12146834 VLOYFEDSIKUYRS-QMHKHESXSA-N 412.505 3.140 0 40 HGAB COc1ccc(C)cc1S(=O)(=O)N1CCc2[nH]nc(-c3ccccc3F)c2C1 12147681 DUPRJGOKIPNCRN-UHFFFAOYSA-N 401.463 3.280 0 40 HGAB O=C(Cc1ccc(F)cc1)N1CCC([C@@H]2C[C@H](C(F)(F)F)n3ncnc3N2)CC1 12407812 SKPHSPDMOUMTKU-JKSUJKDBSA-N 411.403 3.186 0 40 HGAB COc1cc2c(cc1OC)CN(C(=O)[C@H]1CC(=O)N(c3ccc(Cl)cc3)C1)CC2 12408142 KOBSWWIBCMYUNS-INIZCTEOSA-N 414.889 3.295 0 40 HGAB COCCNc1oc(-c2ccc(OC)cc2)nc1S(=O)(=O)c1ccc(F)cc1 12419771 CBKYKJVCVHADRB-UHFFFAOYSA-N 406.435 3.380 0 40 HGAB CCN1CCN(c2ccccc2NC(=O)CCCNC(=O)c2ccsc2)CC1 12641164 GKEKMZGTKLMUPY-UHFFFAOYSA-N 400.548 3.039 0 40 HGAB Cc1noc(C)c1CCC(=O)N[C@H](Cn1nc(-c2cccs2)ccc1=O)C(C)C 12737049 QFAXTEVJWFTPBK-GOSISDBHSA-N 414.531 3.350 0 40 HGAB CSCC[C@@H](CO)NC(=O)Cc1c(C)c2c(cc(C)c3c(C)coc32)oc1=O 12895182 XATGEUQZUMMYOK-AWEZNQCLSA-N 403.500 3.237 0 40 HGAB biogenic CC(C)NC(=O)CSc1ccccc1C(=O)OCC(=O)Nc1c(F)cccc1F 13031719 YNXVSUXGUPMMLR-UHFFFAOYSA-N 422.453 3.377 0 40 HGAB Cc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)NC[C@@H]3CCCO3)c2)cc1 13070180 MJJYXIHCNDHHLK-INIZCTEOSA-N 408.907 3.358 0 40 HGAB COc1ccccc1NC(=O)Cn1cnc2c(oc3nc4c(cc32)CCCC4)c1=O 13207236 BPFLOGZPAIUFQW-UHFFFAOYSA-N 404.426 3.064 0 40 HGAB O=c1/c(=C\c2ccccc2I)sc2nc3ccccc3n12 13532486 XJMZGLBXTCGSAR-NTEUORMPSA-N 404.232 3.062 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCc3cc(C(=O)NCc4ccccn4)ccc32)cc1 13583321 GGXWHZQFWCPFDZ-UHFFFAOYSA-N 407.495 3.071 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)Cc1ccccc1 13598250 YAJSKEYGRMEXTC-UHFFFAOYSA-N 402.516 3.441 0 40 HGAB Cc1ccccc1-c1ccc(N2CCN(S(=O)(=O)CCc3ccccc3)CC2)nn1 13663887 YMUMVXQJRDSTTD-UHFFFAOYSA-N 422.554 3.147 0 40 HGAB Cc1ccc(NC(=O)Cn2nc3ccc(SC(C)(C)C)nn3c2=O)c(Cl)c1 16844610 BBPCEBMYOYTIHB-UHFFFAOYSA-N 405.911 3.382 0 40 HGAB CC(C)NC(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccnc(N2CCCCC2)n1 19449996 JEAXFMWDJGHIGR-NHCUHLMSSA-N 407.562 3.207 0 40 HGAB COc1cccc(-c2cc(-c3cccnc3)nn2CCNC(=O)c2snnc2C)c1 19563651 WLXCDGDKAWNYEG-UHFFFAOYSA-N 420.498 3.211 0 40 HGAB COc1ccc(CC(=O)N2CCC(c3nc(-c4nccs4)cc(=O)[nH]3)CC2)cc1C 19571074 ZBGWNFLVEOMCMN-UHFFFAOYSA-N 424.526 3.159 0 40 HGAB Cc1[nH]c2c(C(=O)N3CCO[C@H](c4nc(-c5ccncc5)no4)C3)cccc2c1C 19576910 ATPOKBRDJQBLDF-SFHVURJKSA-N 403.442 3.443 0 40 HGAB COCC(=O)N1CCC[C@](Cc2ccc(-c3ccccc3F)cc2)(C(=O)N(C)C)C1 19579102 FNTYCHYIDAFCJZ-XMMPIXPASA-N 412.505 3.379 0 40 HGAB CS(=O)(=O)N1CCCc2ccc(NC(=O)c3ccc4c(c3)ncn4C3CC3)cc21 19663258 GDMMNRZROZLHLL-UHFFFAOYSA-N 410.499 3.336 0 40 HGAB COc1nc2ccccc2nc1CCC(=O)N1CCC(CCn2ccnc2C)CC1 19717721 AVMBANDZMZZJAB-UHFFFAOYSA-N 407.518 3.405 0 40 HGAB Cc1n[nH]cc1C(=O)N1CCC([C@H]2CCCCN2C(=O)COc2ccccc2)CC1 19746601 CPKBAWMDVGPTIT-OAQYLSRUSA-N 410.518 3.030 0 40 HGAB O=C(C[C@@H]1C(=O)N(Cc2cccnc2)c2nc3ccccc3n21)NCc1ccccc1 19962137 AKYLUDJMTXBYHN-OAQYLSRUSA-N 411.465 3.226 0 40 HGAB COc1ccc([C@@H](c2nnnn2C(C)(C)C)N2CCN(c3ccc(F)cc3)CC2)cc1 20139484 IXYUQBGUHIZHLJ-NRFANRHFSA-N 424.524 3.487 0 40 HGAB CNC(=O)NC(=O)COC(=O)Cc1sc(-c2ccccc2)nc1-c1cccs1 20882917 LGHMVZKHZVUACM-UHFFFAOYSA-N 415.496 3.080 0 40 HGAB O=C(Nc1cccc(-c2nnnn2C2CC2)c1)c1cccc(CN2CCCC2=O)c1 22144770 KAFASDOFEKXVLG-UHFFFAOYSA-N 402.458 3.050 0 40 HGAB CCNC(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(C)cc1 22276732 YAAXYSRKQQZAJQ-UHFFFAOYSA-N 400.422 3.345 0 40 HGAB Cc1ccc(N2N=C(C(=O)NCCc3ccc4c(c3)OCO4)CCC2=O)cc1Cl 22303089 HCEGXIZMSORSOT-UHFFFAOYSA-N 413.861 3.219 0 40 HGAB Cc1nn(C)c(Cl)c1C(=O)N1CCN(Cc2csc(-c3ccccc3)n2)CC1 22356044 XXWIZQMUCDLMEZ-UHFFFAOYSA-N 415.950 3.463 0 40 HGAB CCc1nc2sc([C@H](c3cccc(C(F)(F)F)c3)N3CCOCC3)c(O)n2n1 22854261 XCYNIZZRLSXEAL-AWEZNQCLSA-N 412.437 3.499 0 40 HGAB C[C@H](NC(=O)c1ccc(NC(=O)c2ccco2)s1)c1ccc(S(C)(=O)=O)cc1 23700541 IVUDOFKTDLYDMD-LBPRGKRZSA-N 418.496 3.488 0 40 HGAB CCCn1c(=O)[nH]c(=O)c2c(C(=O)N(Cc3ccccc3)C3CC3)cc(C3CC3)nc21 24472615 ZCMJCSCZTUYOHB-UHFFFAOYSA-N 418.497 3.177 0 40 HGAB CC(=O)Nc1nc(C(=O)NCCNc2ncc(C(F)(F)F)cc2Cl)cs1 24617489 WREMRZZOFILVRW-UHFFFAOYSA-N 407.805 3.011 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)NCCCOCC(C)C)cc1 26265616 VGNSVDUZTXRGOW-KRWDZBQOSA-N 413.584 3.140 0 40 HGAB Cc1ccc(C)c(N2N=C(C(=O)O[C@H](C)C(=O)N[C@H]3CCCC[C@@H]3C)CCC2=O)c1 32670055 GSGVHHVLWDPDBS-JQHSSLGASA-N 413.518 3.413 0 40 HGAB CC(=O)[C@@H](Cc1ccccc1)NC(=O)COC(=O)c1nc(-c2ccccc2)cs1 32922114 FMRDTYFGCILLOP-GOSISDBHSA-N 408.479 3.283 0 40 HGAB CCOC(=O)c1sc2ncn(Cc3nc(-c4cccs4)no3)c(=O)c2c1C 39992585 UBKXEBOKZJHMEY-UHFFFAOYSA-N 402.457 3.103 0 40 HGAB O=S(=O)(N[C@@H]1CCN(Cc2ccccc2)C1)c1ccc(Cl)c2ncccc12 40152940 LWDOPPKXPNGNCD-MRXNPFEDSA-N 401.919 3.441 0 40 HGAB CC(C)S(=O)(=O)c1ccc(C(=O)N2CCC(C(=O)c3ccc(O)cc3)CC2)cc1 45059914 QELIEPACLOOBPA-UHFFFAOYSA-N 415.511 3.309 0 40 HGAB CCN(CC)CCn1c(NC(=O)CNC(=O)c2ccccc2C)nc2ccccc21 45731650 NCIZIPKJNWDAOQ-UHFFFAOYSA-N 407.518 3.055 0 40 HGAB Cc1cc(C)cc(NC(=O)Cn2cnc3c(c2=O)CN(Cc2ccccc2)CC3)c1 49400723 NISDCWPBGSCVBZ-UHFFFAOYSA-N 402.498 3.057 0 40 HGAB Cc1ccc(CNC(=O)CSc2nc3ccccc3c(=O)n2Cc2ccco2)o1 57522488 IELUZNGLAGZHNY-UHFFFAOYSA-N 409.467 3.348 0 40 HGAB O=C(Cn1nc(-c2ccccc2)oc1=O)OCc1ccc(OCc2ccccn2)cc1 57995510 VOYSHRZNUGITKY-UHFFFAOYSA-N 417.421 3.221 0 40 HGAB Cc1noc(C)c1CSc1ncccc1C(=O)Nc1ccc2nc[nH]c(=O)c2c1 58167208 NUIXXQNTMQCVMW-UHFFFAOYSA-N 407.455 3.468 0 40 HGAB CCOC(=O)c1oc2ccccc2c1CNS(=O)(=O)c1cccc(C(C)=O)c1 58265520 VQKKTTJDNKYUDA-UHFFFAOYSA-N 401.440 3.291 0 40 HGAB COc1ccc(NC(=O)NC[C@H]([C@@H]2CCOC2)N2CCCC2)c(C(F)(F)F)c1 58268944 CHJKYUKYUUWCNN-CXAGYDPISA-N 401.429 3.336 0 40 HGAB COc1ccccc1CNC(=O)c1ccc(S(=O)(=O)c2ccc(C)c(C)c2)nc1 62006683 MNEHARZKHMENFY-UHFFFAOYSA-N 410.495 3.470 0 40 HGAB Cc1ccc(Sc2nccn3c(=O)n(CC(=O)N(C)c4ccccc4)nc23)c(C)c1 67255625 SFPGBAFFUBPUQF-UHFFFAOYSA-N 419.510 3.322 0 40 HGAB Nc1ncc(-c2cccc(Cl)c2)c([C@@H]2CCCCN2S(=O)(=O)N2CCCC2)n1 72376977 YOZSCVPURBRKLK-KRWDZBQOSA-N 421.954 3.247 0 40 HGAB CCc1sc(NC(=O)c2cc3c(OC)ccc(OC)c3n2C)nc1C(=O)OC 95477611 HCOXGUMWDYJMMV-UHFFFAOYSA-N 403.460 3.253 0 40 HGAB Cc1nccn1[C@H](C)CC(=O)N1[C@@H]2CC[C@@H]1CC(O)(Cn1ccc3ccncc31)C2 100145772 GDFBIKVFAVZOJU-NSISKUIASA-N 407.518 3.077 0 40 HGAB Cn1ccnc1C1(O)[C@@H]2CCC[C@@H]1CN(Cc1ccc(Oc3ncccn3)cc1)C2 100150230 BIBAFRWLWXEYPB-RTBURBONSA-N 405.502 3.122 0 40 HGAB CC(C)[C@H](NC(=O)C[C@@H]1NC(=O)c2ccccc2N=C1O)c1nc2ccccc2[nH]1 101413341 TVBRQSPAAOAJJL-HKUYNNGSSA-N 405.458 3.167 0 40 HGAB O=C(CCN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O)Nc1cc(Cl)ccc1Cl 102086140 BDAMNHUDBSXVGI-KNNTYIFHSA-N 405.281 3.375 0 40 HGAB CC1CCN(S(=O)(=O)c2cccc(C(=O)NCCCc3ccccc3)c2)CC1 220001408 KFGIOKNZCLTPFO-UHFFFAOYSA-N 400.544 3.470 0 40 HGAB CC(C)Oc1cccc(N(CC(=O)N2CCCc3ccccc32)S(C)(=O)=O)c1 220109038 APIWELDKOQXUHT-UHFFFAOYSA-N 402.516 3.219 0 40 HGAB COc1ccc(N(CCCC(=O)N2CCCc3ccccc32)S(C)(=O)=O)cc1 222604695 JOJHIIJBXMRFEF-UHFFFAOYSA-N 402.516 3.221 0 40 HGAB COc1cc(NS(=O)(=O)c2ccc(Br)cc2)c(C(C)=O)cc1OC 223252186 VPNRNUXLOWXSNP-UHFFFAOYSA-N 414.277 3.470 0 40 HGAB COc1ccc(CNS(=O)(=O)c2ccc(OC)c(Cl)c2Cl)c(OC)c1 223717211 KUKSETUORWMQIX-UHFFFAOYSA-N 406.287 3.498 0 40 HGAB Cc1ccc(N(CCCC(=O)NCCOc2ccccc2C)S(C)(=O)=O)cc1C 224054031 DVYLPLLQERAZFN-UHFFFAOYSA-N 418.559 3.353 0 40 HGAB Cc1cc(C(=O)NC[C@@H]2CCCO2)ccc1N(C)S(=O)(=O)c1ccc(Cl)cc1 224217015 ROEJYIGSOBVDPG-KRWDZBQOSA-N 422.934 3.382 0 40 HGAB Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)N[C@H](C)c3ccccc3C)s2)cc1 224257230 ZOZHRBZZGIXPOL-CQSZACIVSA-N 416.528 3.447 0 40 HGAB CC(C)(C)OCCOc1ccc(C(=O)N2CCN(CCc3ccccc3)CC2)cn1 225727709 YUWZJSMYKKDGJY-UHFFFAOYSA-N 411.546 3.276 0 40 HGAB Cc1cc(N)c(NC(=O)c2ccc(Br)cc2)cc1N1CCN(C)CC1 226331071 GQDMXDFZTQOWFL-UHFFFAOYSA-N 403.324 3.344 0 40 HGAB Cc1cc(N2CC3(CCOCC3)OC2=O)nc([C@@H]2CCCN2C(=O)C(C)(C)C)n1 257240964 HVYYNMQADUYAPP-HNNXBMFYSA-N 402.495 3.000 0 40 HGAB Cc1nc([C@H]2CCN(Cc3ccccn3)C2)nc(C)c1CC(=O)NC1CCCCC1 257263796 LRMYECAEZIWRDW-IBGZPJMESA-N 407.562 3.469 0 40 HGAB Cc1cccc(-c2cnc(N(C)C)nc2[C@H]2CCCN(C(=O)Cn3cccn3)C2)c1C 257297840 RIYVNRQPBYFPAK-IBGZPJMESA-N 418.545 3.429 0 40 HGAB COCCCNC(=S)Nc1nc(N2CCC[C@H](C)C2)cc(N2CCC[C@H](C)C2)n1 260735109 FPJRKAINOIAYPO-IRXDYDNUSA-N 420.627 3.272 0 40 HGAB COc1ccc(N(CC(=O)N[C@H](C)c2cc(C)c(C)cc2C)S(C)(=O)=O)cc1 260937067 ORWHIMRDQRBKDD-QGZVFWFLSA-N 404.532 3.264 0 40 HGAB O=C(N1CC2(C1)OCC[C@@H]2COc1ncccc1F)C12CC3CC(CC(C3)C1)C2 306142945 XOWKBWLQYSZXHQ-DQYWGJDHSA-N 400.494 3.433 0 40 HGAB O=C(CN[C@H](C1CC1)[C@@]1(CO)CCCO1)N1c2ccccc2CCc2ccccc21 550503488 NZCZZPLCRYFAJX-RPBOFIJWSA-N 406.526 3.360 0 40 HGAB Cc1cc(C)n([C@@H](CNC(=O)C(=O)Nc2ccc(C(F)(F)F)cc2)c2ccco2)n1 575614542 WHMWFOWVXFBXLB-INIZCTEOSA-N 420.391 3.456 0 40 HGAB COC(=O)c1ccc(S(=O)(=O)NC[C@@H](c2csc3ccccc23)N(C)C)cc1 575618747 CBCRWYWSEYWYPG-SFHVURJKSA-N 418.540 3.269 0 40 HGAB CCOc1ccc(C(=O)N2CCc3ncc(-c4cnn(C(F)F)c4)n3CC2)cc1 585111079 CNZJLPOEHCPKET-UHFFFAOYSA-N 401.417 3.239 0 40 HGAB COc1ccc(NC(=O)c2cnn(C(C)(C)C)c2C(F)(F)F)cc1-n1nnnc1C 588125501 STPJPVAJZHHWKH-UHFFFAOYSA-N 423.399 3.202 0 40 HGAB NC(=O)CCN(C(=O)Cc1ccc(-n2cccc2)cc1)[C@H]1CCOc2ccccc21 1526110433 QFHSYZBLILBSEN-NRFANRHFSA-N 403.482 3.248 0 40 HGAB C[C@@]1(C2CCN(Cc3ccc(C(=O)O)cc3)CC2)CN(Cc2ccccc2)C(=O)CO1 1848356909 QZMOHTLYWIQWKA-VWLOTQADSA-N 422.525 3.415 0 40 HGAB O=S(=O)(NC[C@]1(O)CCCc2sccc21)c1ccc(Br)s1 1889148799 PDOLMCJVGGAWRN-CYBMUJFWSA-N 408.364 3.075 0 40 HGAB Cc1nc(-c2ccc(S(=O)(=O)NC[C@@]3(O)CCCc4sccc43)cc2)co1 1889226168 SOWYEYAKTWBDIY-IBGZPJMESA-N 404.513 3.214 0 40 HGAB COc1ccc(NC(=O)c2cc(C(C)C)n([C@@H]3CCS(=O)(=O)C3)n2)cc1Cl 11997077 BASOEFRBIOQBGA-CYBMUJFWSA-N 411.911 3.280 0 40 HGAB Cn1c(=O)c2c(C(F)(F)F)cc(-c3cccnc3)nc2n(Cc2ccccc2)c1=O 2638631 RYMYBCHBFJJTSI-UHFFFAOYSA-N 412.371 3.224 0 40 HGAB C[C@H]1C[C@@H](OC(=O)c2ccccc2NS(=O)(=O)c2ccc(Cl)cc2)C(=O)O1 32895917 CCMSOLIOPFVCLX-MEDUHNTESA-N 409.847 3.002 0 40 HGAB O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Nc1ccccc1-c1nc2ccccc2[nH]1 102400926 KKIDENVTVCZWBF-HUUCEWRRSA-N 402.454 3.344 0 40 HGAB COc1ccc(-n2nnnc2SCC(=O)Nc2ccc(Br)cc2)cc1 3478387 VDYLPVVPTRMAQB-UHFFFAOYSA-N 420.292 3.164 0 40 HGAB CC(C)NC(=O)Cn1c(SCC(=O)N2C[C@@H](C)C[C@H](C)C2)nc2ccccc21 4859293 FGSOMNYRKIDQHG-HOTGVXAUSA-N 402.564 3.158 0 40 HGAB CCc1ccc(N(CC(=O)NC2CCCCC2)C(=O)CNC(=O)c2ccco2)cc1 4875934 FBERRMDSCMRZSJ-UHFFFAOYSA-N 411.502 3.054 0 40 HGAB Cc1oc2c3c(ccc2c(=O)c1-c1ccccc1)OCN([C@@H]1CCS(=O)(=O)C1)C3 12442544 CIVUAQJCRPXSFQ-MRXNPFEDSA-N 411.479 3.107 0 40 HGAB biogenic Cc1cc(C)n(-c2ccc(C(=O)NC[C@@H](c3ccc(F)cc3)N3CCOCC3)cc2)n1 23156355 QJLYUYDKLYFOHI-QHCPKHFHSA-N 422.504 3.432 0 40 HGAB COc1ccc([C@@H]2Nc3ccccc3C(=O)N2CC(=O)Nc2ccc(OC)nc2)cc1 61718196 BDKMMZPFOAQFEL-JOCHJYFZSA-N 418.453 3.304 0 40 HGAB O=C(COc1ccccc1Cc1ccccc1)N1CCN(Cc2ccncc2)CC1 23846560 ZITZHWUFFWJZDH-UHFFFAOYSA-N 401.510 3.396 0 40 HGAB Cc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)NCCC(C)C)cc1 3190308 SWEJOQYAAPIFHD-OAQYLSRUSA-N 400.544 3.273 0 40 HGAB Cc1ccc([C@@H]2[C@@H]3C=C[C@@]4(O3)[C@@H](C(=O)NC3CCCC3)N(C(C)(C)C)C(=O)[C@H]24)cc1 100435361 DXOLGWOCJNTKGM-OAIJQJBHSA-N 408.542 3.470 0 40 HGAB Cc1nc2c(c(C)nn2C)c(C)c1CCC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 24969885 ZICDVDAHKNXIOS-HXUWFJFHSA-N 405.546 3.217 0 40 HGAB CC(C)c1ccccc1-n1ccnc1S[C@H](C)C(=O)N1CCC[C@H](C(N)=O)C1 25414360 FXXGWORSYPQIQW-CVEARBPZSA-N 400.548 3.200 0 40 HGAB O=C(NCc1ccccc1CN1CCOCC1)c1cccc(OC[C@H]2CCCO2)c1 26346539 KSMUYNUFPXGUNR-HSZRJFAPSA-N 410.514 3.007 0 40 HGAB Cc1nc2c(-c3ccccc3)nc(SCC(=O)NC[C@H]3CCCO3)nc2s1 35682631 NXUXJDKBSFKGLT-CQSZACIVSA-N 400.529 3.449 0 40 HGAB CC(C)c1ccc(N[C@@H](C)C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 57739330 WXUYTIJOQYYMQS-SFHVURJKSA-N 415.559 3.144 0 40 HGAB O=C(NCc1ccc(N2CCCCCC2)nc1)c1ccc(Cn2ccccc2=O)o1 48249328 OVRPOTHZLWTJOL-UHFFFAOYSA-N 406.486 3.195 0 40 HGAB O=C(COC(=O)c1ccc(I)cc1)Nc1ccc(F)cc1F 3313062 UORAZQIULJMYAF-UHFFFAOYSA-N 417.149 3.365 0 40 HGAB COc1cc(CN(C)C(=O)c2cccc(N3CCNC3=O)c2)ccc1OC(F)F 45857577 LPVHFQNLZAJUAP-UHFFFAOYSA-N 405.401 3.098 0 40 HGAB COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CCC[C@@H]1c1ccsc1 46089345 KGYUCIYERCWPDN-WOJBJXKFSA-N 411.527 3.267 0 40 HGAB CC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)NCCc3cccs3)CC2)cc1 12985467 BYVBQDCTNNEYLX-UHFFFAOYSA-N 421.588 3.130 0 40 HGAB Cc1nnc(SCC(=O)Nc2cccc(C(=O)NC3CC3)c2)n1-c1ccccc1 8725846 VLCYCCJQELZZDO-UHFFFAOYSA-N 407.499 3.199 0 40 HGAB COc1ccc(-c2cc(=O)oc3c(C)c(O[C@H](C)C(=O)NCCCO)ccc23)cc1 4088533 DNFWQAGSARYFRN-OAHLLOKOSA-N 411.454 3.043 0 40 HGAB biogenic COc1cc(NC(=O)CCSc2nc(Cl)nc3nc[nH]c23)cc(OC)c1OC 13548435 ZYRGCMBBXVVFRK-UHFFFAOYSA-N 423.882 3.153 0 40 HGAB COc1cc(/C=C/C(=O)OCc2cc(=O)n3ccsc3n2)ccc1OC(F)F 6170109 GLJPPANDWDLDHE-HWKANZROSA-N 408.382 3.123 0 40 HGAB CNC(=O)NC(=O)[C@H](C)Sc1nnc(-c2cccnc2)n1[C@@H]1CCCC[C@@H]1C 8886693 JRHBKHOLHOKXMV-KCQAQPDRSA-N 402.524 3.028 0 40 HGAB CC(C)c1ccc(NC(=O)COCC(=O)N2CCN(c3ccccc3F)CC2)cc1 4711157 QVSGXDIQFJKHRQ-UHFFFAOYSA-N 413.493 3.253 0 40 HGAB CC(C)c1ccc([C@]2(C)NC(=O)N(CC(=O)c3ccc4c(c3)OCCO4)C2=O)cc1 5798048 PSWOUHVUHGVXPQ-QHCPKHFHSA-N 408.454 3.231 0 40 HGAB CSCC[C@H](NC(=O)C1CCC(C)CC1)C(=O)NCCCN1CCCC[C@@H]1C 4872176 JLOSPIYCCFPMEJ-PCODVIEZSA-N 411.656 3.431 0 40 HGAB CCOC(=O)C1CCN(C(=O)COC(=O)c2ccccc2Cc2ccccc2)CC1 4863509 KSEWWDVXWSRNFY-UHFFFAOYSA-N 409.482 3.236 0 40 HGAB CC1CCC(NC(=O)CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)CC1 7063032 LWARZJYDZLYBPL-UHFFFAOYSA-N 405.498 3.177 0 40 HGAB Cc1ccc(C2=NN(C(=O)CSc3nnnn3C3CC3)[C@H](c3ccco3)C2)cc1 8075949 LRJCYEQBDXTDKU-KRWDZBQOSA-N 408.487 3.379 0 40 HGAB CCn1c(S[C@H]2C[C@@H](C)OC2=O)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 8135065 MKSHRCDQSGQAHH-DYVFJYSZSA-N 423.560 3.027 0 40 HGAB Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)C[C@H]1Oc2ccccc2NC1=O 8388875 OPXNPZCKNIJWEK-OAQYLSRUSA-N 404.470 3.237 0 40 HGAB CC(=O)N1CCC(C(=O)OCc2csc(N(C(C)=O)c3ccccc3F)n2)CC1 8428468 DKNQBOAAJRAOBG-UHFFFAOYSA-N 419.478 3.269 0 40 HGAB COc1ccccc1NS(=O)(=O)c1cccc(NC(=O)c2cn3ccccc3n2)c1 9957457 ZEEFNFIUJRVSDO-UHFFFAOYSA-N 422.466 3.396 0 40 HGAB CCNC(=O)C(=O)Nn1c(C(=O)Nc2ccccc2Cl)cc2cc(Cl)ccc21 408604947 JFZDRAMJHDLKGD-UHFFFAOYSA-N 419.268 3.407 0 40 HGAB COc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2cc(F)ccc2C)c1 22230352 XDMASPPNEBRKJE-GOSISDBHSA-N 406.479 3.243 0 40 HGAB Cc1noc([C@@H]2CCCN2C(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)n1 557778934 DHBVGCQDPJCWRA-SFHVURJKSA-N 412.471 3.156 0 40 HGAB COc1ccc(-c2cc(C(=O)N[C@H](C)Cn3ccc(C)n3)c3c(C)nn(C)c3n2)cc1 36613627 ARXCLZWZPMGDAC-OAHLLOKOSA-N 418.501 3.276 0 40 HGAB Cc1ccc(C)c2nc3c(cc12)CN(Cc1nnnn1Cc1ccccc1)CCO3 72392264 RANJVRVSFRLVTB-UHFFFAOYSA-N 400.486 3.281 0 40 HGAB C[C@@H](NC(=O)c1cc(Br)cc(N(C)C)c1)C(=O)OCc1ccccc1 1530242592 OASMAEUWYLNCNQ-CYBMUJFWSA-N 405.292 3.377 0 40 HGAB COc1ccc(S(=O)(=O)N(CC(=O)O)c2cc(Cl)ccc2Cl)cc1OC 224802925 ZNJZRYLBXLEWPF-UHFFFAOYSA-N 420.270 3.291 0 40 HGAB CCN(c1ccc(C(=O)NCc2cccc(C(F)(F)F)c2)cc1)S(C)(=O)=O 223237665 JKGJIGCRTNFBCM-UHFFFAOYSA-N 400.422 3.421 0 40 HGAB Cc1cc(C(=O)Nc2ccccc2C(=O)NC(C)(C)C)ccc1N(C)S(C)(=O)=O 222477715 VWGSTZZEAWZNGC-UHFFFAOYSA-N 417.531 3.171 0 40 HGAB C[C@@H](C(=O)NC[C@H]1CCCO1)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1 222921332 ZFIOEKIDEGUPML-PGRDOPGGSA-N 412.505 3.471 0 40 HGAB COc1cc2c(cc1S(=O)(=O)N1CCN(Cc3ccccc3)CC1)CCCC2 224770529 MICJNYRLSJQTLQ-UHFFFAOYSA-N 400.544 3.081 0 40 HGAB Cc1nnsc1C(=O)N1CCC(CNC(=O)c2ccccc2C(F)(F)F)CC1 43986867 PLDSNNBWLUYKOH-UHFFFAOYSA-N 412.437 3.148 0 40 HGAB CC1CCN(CCCCNC(=O)c2cccc(S(=O)(=O)NC3CCCC3)c2)CC1 40113347 MEMMRXRVQFTFES-UHFFFAOYSA-N 421.607 3.149 0 40 HGAB CCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(OC)c(OC)c1 223674764 BODAUAFMBBYFPW-SFHVURJKSA-N 412.530 3.498 0 40 HGAB Cc1cc(C(=O)O)ccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)o1 223595763 FZKULIQTCCYIOC-UXHICEINSA-N 423.494 3.313 0 40 HGAB CCOc1cccc(NC(=O)[C@@H](CC)Oc2ccc(N(C)S(C)(=O)=O)cc2)c1 224953270 NYIMSDNTGBUMSW-LJQANCHMSA-N 406.504 3.277 0 40 HGAB O=C(CC[C@@H]1NC(=O)N(Cc2ccccc2)C1=O)N1CCC(c2ccccc2)CC1 96223247 CMOAPQHSIBMRCH-NRFANRHFSA-N 405.498 3.293 0 40 HGAB CC(C)[C@@H](NC(=O)c1c(-n2cnnn2)sc2c1CCC2)c1nc2ccccc2[nH]1 583652569 WVMYHMSUVCJVBA-QGZVFWFLSA-N 407.503 3.216 0 40 HGAB CC(C)C(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](CCNC(=O)c4ccccn4)OCC[C@@]31C2 257311538 UJYUQQLYPQCMQH-UZBGZVLUSA-N 413.562 3.184 0 40 HGAB CCOC[C@]1(C(N)=S)[C@@H](c2cccc(F)c2)[C@H]1S(=O)(=O)c1ccc(C)cc1 252515693 MVOZOWQYZYTBQW-NSHGMRRFSA-N 407.532 3.383 0 40 HGAB CNCC(=O)NC[C@@]1(c2ccccc2)CC[C@@H]2O[C@H](c3ccccc3)C[C@H](O)[C@H]2CC1 257258250 KSZBFRJGSQSEFK-VEGWMBEDSA-N 422.569 3.341 0 40 HGAB CC(C)C(=O)N[C@]1(C)C[C@H](c2ccc(OCC(N)=O)cc2)O[C@@H]2C[C@H](C)CC[C@H]21 257241415 HXZCKVOIBUXIBO-PVIGCVSNSA-N 402.535 3.348 0 40 HGAB CCS(=O)(=O)N1C[C@H](C(=O)N[C@H](C)c2ccc(C)c(C)c2)Oc2ccccc21 260455443 QWHLKNGGOFKCCZ-OXQOHEQNSA-N 402.516 3.098 0 40 HGAB Cc1nn(C)c(C)c1-c1ccnc(N2CCC[C@H]2c2nc(-c3cccnc3)no2)n1 48090895 VXXUVIWTORBTNX-KRWDZBQOSA-N 402.462 3.280 0 40 HGAB O=C(CSc1nc2ccccc2o1)N(Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 5034027 ZXACMHFQYMYLJU-INIZCTEOSA-N 416.524 3.136 0 40 HGAB O=C(Cn1c(=O)n(CCc2ccccc2)c(=O)c2sccc21)Nc1ccccc1F 13533523 FFTJWQWELFDRRA-UHFFFAOYSA-N 423.469 3.245 0 40 HGAB O=C(c1cc(S(=O)(=O)N2CCCC2)ccc1Cl)N1CCc2ccccc2C1 15339016 GCUYJLRPRCCWTP-UHFFFAOYSA-N 404.919 3.323 0 40 HGAB Cc1nc(NCCC(=O)N2CCN(Cc3ccccn3)CC2)c2c(C)c(C)sc2n1 19561608 BZIQBDNOBFQOFR-UHFFFAOYSA-N 424.574 3.158 0 40 HGAB COc1ccc(-c2cnc(N(C)C)nc2[C@@H]2CN(c3cc(C)nc(C)n3)CCO2)cc1 19692826 QACVWIXNAUJBOW-FQEVSTJZSA-N 420.517 3.203 0 40 HGAB CCc1cc(C(F)(F)F)n2nc([C@H]3CCCN3C(=O)c3snnc3C)cc2n1 12230563 WMLNWIJZGLRCBJ-GFCCVEGCSA-N 410.425 3.448 0 40 HGAB COC(=O)c1sc2nc(C)nc(SCN3C(=O)c4ccccc4C3=O)c2c1C 3310959 DDAWCYCKLDEZLH-UHFFFAOYSA-N 413.480 3.441 0 40 HGAB CCC(=O)Nc1ccc(C(=O)CN2C(=O)N[C@@]3(CCCc4ccccc43)C2=O)cc1 3457773 IQGCMDFXYXPAQQ-HSZRJFAPSA-N 405.454 3.001 0 40 HGAB CCOc1ccc(NC(=O)C2=C(C)NC(=O)N[C@H]2c2ccc(O)c(OCC)c2)cc1 708962 WOKQMTFMWLCVKI-FQEVSTJZSA-N 411.458 3.456 0 40 HGAB CC(C)(C)C(=O)Oc1coc(CSc2nnc(NC(=O)C3CC3)s2)cc1=O 4496111 BVAZJVLPNKXHNH-UHFFFAOYSA-N 409.489 3.084 0 40 HGAB O=C(COc1ccc(Cl)cc1)NCCn1nc(-c2ccc(Cl)cc2)ccc1=O 9660949 SVACBORPKYETMB-UHFFFAOYSA-N 418.280 3.412 0 40 HGAB O=C(Cc1csc(NC(=O)c2ccc(F)cc2)n1)Nc1ccc2c(c1)OCCO2 9817002 IKILIASBKXYSEG-UHFFFAOYSA-N 413.430 3.487 0 40 HGAB COc1ccc(C(=O)N2CC[C@H](c3ccccc3Cl)S(=O)(=O)CC2)cc1F 585397579 UWXFDUQZGCHRNF-GOSISDBHSA-N 411.882 3.490 0 40 HGAB COC(=O)c1ccc(CNC(=O)CSCC(=O)Nc2ccc3ccccc3c2)o1 2170644 DCDNNIFWHRQOKT-UHFFFAOYSA-N 412.467 3.208 0 40 HGAB COC(=O)c1ccc(CN(C)C(=O)[C@H]2CCCN(C(=O)c3cccs3)C2)cc1 30204693 DLXPVNCSOOKBND-KRWDZBQOSA-N 400.500 3.046 0 40 HGAB Cc1cc(=O)oc2c(C)c(OCC(=O)Nc3ccc(CN4CCOCC4)cc3)ccc12 20622741 DWBONPRHAALVNS-UHFFFAOYSA-N 422.481 3.260 0 40 HGAB O=c1nc2n(Cc3ccc(C(F)(F)F)cc3)cccc-2c(=O)n1Cc1ccncc1 32641758 YIADYIZSPKFTBE-UHFFFAOYSA-N 412.371 3.020 0 40 HGAB CCn1c(=O)c2ccccc2n2c(SCC(=O)N3c4ccccc4C[C@@H]3C)nnc12 1331748 ODQHTOMAZJWHBJ-AWEZNQCLSA-N 419.510 3.134 0 40 HGAB O=S(=O)(c1ccc(Cl)c(F)c1)N1CCC(n2nnc3cc(F)ccc32)CC1 1380785 OLKAFIFWLRCWCR-UHFFFAOYSA-N 412.849 3.389 0 40 HGAB COCCOC(=O)C1=C(C)N=C2S[C@H](C)C(=O)N2[C@H]1c1ccc(SC)cc1 2247877 SBKARQONJQJSBQ-WBMJQRKESA-N 406.529 3.247 0 40 HGAB COc1ccccc1NC(=O)Cc1noc(COC(=O)c2c(F)cccc2Cl)n1 3302364 LNLPHDALHAYBQV-UHFFFAOYSA-N 419.796 3.409 0 40 HGAB CC(=O)Oc1cccc([C@H]2C(C(=O)OC(C)C)=C(C)N=C3SCCC(=O)N32)c1 3636387 RKFRGJQAIBQFFG-SFHVURJKSA-N 402.472 3.214 0 40 HGAB O=C1C[C@@]2(CC(c3ccc(Br)cc3)=NO2)C(=O)N1c1ccc(F)cc1 5054507 WDBODQPCTLWCOC-SFHVURJKSA-N 403.207 3.415 0 40 HGAB CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)OCC(=O)N1[C@H](C)CCC[C@H]1C 5506025 KYAAXZPXGXRKKK-HLIPFELVSA-N 404.507 3.270 0 40 HGAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)CN2CCC(Cc3ccccc3)CC2)c1 5601446 PACHPAYIRQTNFE-UHFFFAOYSA-N 424.497 3.153 0 40 HGAB CC(C)C(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccccc3)cc2)CC1 6238777 ZBEGQGKACFJFFN-UHFFFAOYSA-N 410.543 3.118 0 40 HGAB O=C(NCc1ccccc1)c1nc(S(=O)(=O)Cc2ccccc2)ncc1Cl 6748080 WWUORVUWOSGFQC-UHFFFAOYSA-N 401.875 3.034 0 40 HGAB O=C(NCc1ccc(F)cc1)[C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(-c2ccccc2)nn1 8298756 SNGPEIJZWGGCBQ-FCEUIQTBSA-N 419.504 3.111 0 40 HGAB biogenic,in-vitro COc1ccc(N(Cc2cccs2)C(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)cc1 8344309 KRSGGZFQUXTOAN-OAQYLSRUSA-N 413.499 3.010 0 40 HGAB COCCCNC(=O)c1nc(-c2cccc(Cl)c2)n(-c2ccc(OC)cc2)n1 8476327 XMBZFHWWCMTUFS-UHFFFAOYSA-N 400.866 3.363 0 40 HGAB O=C(Nc1ccccc1)c1nc(S(=O)(=O)Cc2ccccc2F)ncc1Cl 8916796 LKAMURLWNABRRJ-UHFFFAOYSA-N 405.838 3.495 0 40 HGAB COc1ccccc1N(C)S(=O)(=O)c1ccc(C)c(C(=O)Nc2cccnc2)c1 9376830 UTKHUTVXOBPINA-UHFFFAOYSA-N 411.483 3.476 0 40 HGAB COC(=O)COc1ccc(S(=O)(=O)Nc2ccc(OC)c(Cl)c2)cc1Cl 9944283 XOIMEYIJGRMJPO-UHFFFAOYSA-N 420.270 3.355 0 40 HGAB CC(C)CNS(=O)(=O)c1ccc(Br)c(C(=O)Nc2ccncc2)c1 12744756 BMGWVSTXTKTGCV-UHFFFAOYSA-N 412.309 3.031 0 40 HGAB C[C@@H]1CCCN(Cc2csc(NC(=O)CCNC(=O)NCc3ccccc3)n2)C1 12793555 SXPNJYLYNAETGD-MRXNPFEDSA-N 415.563 3.203 0 40 HGAB CS(=O)(=O)c1ccc(Cl)c(NC(=O)CCc2nc(-c3ccsc3)no2)c1 12855161 DQZXDVPBJBLDQQ-UHFFFAOYSA-N 411.892 3.426 0 40 HGAB CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)NCCCn1nc(C)cc1C 12973332 JNJPELKKVUSMTL-GOSISDBHSA-N 422.982 3.211 0 40 HGAB CNC(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccccc1-c1ccccc1 12984562 KSLSLMCSPIEYCD-OAQYLSRUSA-N 406.507 3.215 0 40 HGAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)Cc1csc(-c2cccc(F)c2)n1 13001890 ZBDIWCBHTGOTJU-UHFFFAOYSA-N 408.458 3.387 0 40 HGAB Cc1cc(C)c2cc(C(=O)N3CCN(CC(=O)N4C[C@H](C)C[C@@H](C)C4)CC3)[nH]c2c1 13003663 JKJBUTJFNJLNJO-QZTJIDSGSA-N 410.562 3.047 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NCC(=O)Nc2ccc(F)cc2)cc1 13038333 YMBDSNMFWKAYSE-OAHLLOKOSA-N 407.511 3.146 0 40 HGAB O=C(NCc1cc(-c2cccs2)on1)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O 13236818 CRTOBJMEQYQHDL-MRXNPFEDSA-N 410.455 3.380 0 40 HGAB CCCOc1ccc(/C=c2\sc3nc(-c4ccc(OC)c(OC)c4)nn3c2=O)cc1 13752139 IFCWTBVJNDMUSA-UNOMPAQXSA-N 423.494 3.172 0 40 HGAB CC[C@H]1CCCCN1C(=O)CSc1nc2c(-c3ccc(F)cc3)cnn2c(=O)[nH]1 15107355 SRHJARVRFLONLG-HNNXBMFYSA-N 415.494 3.107 0 40 HGAB CN(CC(=O)Nc1ccc(OC(F)F)cc1)S(=O)(=O)c1ccc(Cl)cc1 15797603 FPHSIEFCCZTPSF-UHFFFAOYSA-N 404.822 3.201 0 40 HGAB CCOc1ccc([C@@H]2c3c(oc4c(C)cc(C)cc4c3=O)C(=O)N2CCO)cc1OC 16751344 VACGPJOUBKFLKK-HXUWFJFHSA-N 423.465 3.355 0 40 HGAB Cc1ccc(Cl)cc1NC(=O)c1cn(C)c2c(=O)n(Cc3ccccc3)c(=O)[nH]c12 16837842 HPDYGJVKRDTGPF-UHFFFAOYSA-N 422.872 3.291 0 40 HGAB CCn1c(NC(=O)[C@H](CCSC)N2C(=O)c3ccccc3C2=O)nc2ccccc21 18232883 RGRXGCGNDVHERX-SFHVURJKSA-N 422.510 3.413 0 40 HGAB Cc1sc2nc(CSCC(=O)Nc3cccc4nsnc34)[nH]c(=O)c2c1C 19078408 ZUVFYXDKLMQGMM-UHFFFAOYSA-N 417.541 3.478 0 40 HGAB Cc1ccc(C)c(C(=O)[C@H]([C@H](c2ccccc2)N2CCOCC2)N2CCOCC2)c1 19366004 NJOYXILDEFCESZ-ZEQRLZLVSA-N 408.542 3.260 0 40 HGAB Cc1cc(C)c2cc([C@@H](c3nnnn3C3CCCCC3)N3CCOCC3)c(=O)[nH]c2c1 19569190 AJVWCMWYSKXVSR-NRFANRHFSA-N 422.533 3.058 0 40 HGAB Cc1cc(-c2ccc(F)cc2)cc([C@H]2CCCN2S(=O)(=O)c2cn(C)cn2)n1 19691405 JDNDAQGDNQRJLN-LJQANCHMSA-N 400.479 3.455 0 40 HGAB CCc1cc2c(=O)n(CC(=O)Nc3cccc(Cn4ccnc4C)c3)cnc2s1 19714836 ZNKJBZJMQDMRKN-UHFFFAOYSA-N 407.499 3.212 0 40 HGAB Cc1nc(CC(=O)N2CCC[C@@H](c3cc(C(F)(F)F)c4c(N)n[nH]c4n3)C2)cs1 19742152 HTCYQLVHGSTCFJ-SNVBAGLBSA-N 424.452 3.273 0 40 HGAB CC[C@@H](NC(=O)[C@@H](C)N(c1ccc(C)cc1)S(C)(=O)=O)c1ccc(OC)cc1 19934538 IFWUDEVGKXJRSY-OXQOHEQNSA-N 404.532 3.426 0 40 HGAB COC(=O)c1ccccc1NC(=O)N1CCc2nc[nH]c2[C@H]1c1cccc(OC)c1 20761692 MHPBQVUKTLZWFT-HXUWFJFHSA-N 406.442 3.385 0 40 HGAB biogenic CC(C)OCCCNS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1ccccc1 20765823 GSKNTRZWGWVDPJ-UHFFFAOYSA-N 416.543 3.373 0 40 HGAB COc1cccc(CN(C)S(=O)(=O)c2ccc(OC)c(Br)c2)c1 21317562 COOPSCKYWZDLAX-UHFFFAOYSA-N 400.294 3.287 0 40 HGAB NC(=O)Nc1ccc(NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)cc1 26353758 YVZLFGUMTXYAQV-UHFFFAOYSA-N 410.455 3.230 0 40 HGAB O=C(CN1CCCC[C@H]1CNC(=O)Nc1ccccc1)NCCc1cccs1 30590263 VZYZLICLAKJXKV-SFHVURJKSA-N 400.548 3.083 0 40 HGAB Cc1cccc(CNC(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1 31058093 YFEGDZGCIPYITH-UHFFFAOYSA-N 400.544 3.419 0 40 HGAB COC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCSC[C@@H]1c1ccc(OC)cc1 32088982 HDHNHIPLJOMNJX-VQTJNVASSA-N 414.527 3.279 0 40 HGAB CNC(=O)Cc1ccccc1NC(=O)C1=Cc2cc(Br)ccc2OC1 32916047 UBZIOYQBOAAUKN-UHFFFAOYSA-N 401.260 3.152 0 40 HGAB CCOc1cc(CN(C)C(=O)Cc2ccc(NC(N)=O)cc2)ccc1OC(F)F 33081153 UAKGDIKQLCXHCO-UHFFFAOYSA-N 407.417 3.378 0 40 HGAB Cc1cccc(N2C(=O)/C(=C/c3cn(CC(N)=O)c4ccccc34)C(O)=NC2=S)c1 33694096 OUBGQGIHGDTISV-LICLKQGHSA-N 418.478 3.107 0 40 HGAB COc1ccc(NC(=O)c2ccc(-c3ccccc3F)s2)cc1S(N)(=O)=O 40074815 KSLHRSNXAIEYEG-UHFFFAOYSA-N 406.460 3.463 0 40 HGAB Cc1ccccc1OC[C@H](O)CN1CCN(C(=O)c2cccc3ccccc23)CC1 44834469 XWLCJSZOYFILMZ-OAQYLSRUSA-N 404.510 3.346 0 40 HGAB CCCNC(=O)CCc1nc2ccccc2n(CC(=O)Nc2c(C)cccc2C)c1=O 49004135 WSCGFHDJMVJLHP-UHFFFAOYSA-N 420.513 3.111 0 40 HGAB C[C@@H]1CCCN(C[C@@H](C)NC(=O)[C@@H]2CC(=O)N(c3ccccc3Br)C2)C1 58174309 PIMGUNZFOKZYQU-BZUAXINKSA-N 422.367 3.039 0 40 HGAB O=C(Nc1nncs1)c1cccc(NC(=O)N2CCN(c3ccccc3)CC2)c1 71282820 MALYUXHCOGWWCH-UHFFFAOYSA-N 408.487 3.145 0 40 HGAB COCCc1ncc(CN2CCC[C@@H](c3cc(-c4cncnc4)cc(C)n3)C2)cn1 72353758 CLAJJLNLRRIBFQ-LJQANCHMSA-N 404.518 3.206 0 40 HGAB Cc1ccc(CN2CCN(c3c(F)cccc3[C@@H](O)c3nccn3C)CC2)s1 72389649 LGKYALRZFSQQAV-HXUWFJFHSA-N 400.523 3.333 0 40 HGAB O=C(C[S@@](=O)Cc1cc(Cl)c2c(c1)OCCCO2)N1CCc2ccccc21 84582028 AEOOQXSQJRDMNJ-HHHXNRCGSA-N 405.903 3.339 0 40 HGAB C[C@H](Oc1ccccc1Cl)C(=O)N1CCCN(Cc2noc(C3CC3)n2)CC1 89420153 TUWKKUVMTGUWDH-AWEZNQCLSA-N 404.898 3.102 0 40 HGAB CCN1C[C@@]2(CC1=O)CN(Cc1cccs1)CCN(C(=O)Nc1ccccc1)C2 96036251 YPAYTBREPRNEJW-JOCHJYFZSA-N 412.559 3.336 0 40 HGAB CN1CCCN(C(=O)c2cc(-c3csc(-c4cnccn4)n3)n3ccccc23)CC1 96154850 TVEZZNRKIUJDRN-UHFFFAOYSA-N 418.526 3.298 0 40 HGAB Cc1ccc(NC(=O)c2ccc3nnc([C@H]4CCN(Cc5cccnc5)C4)n3c2)cn1 96156208 FGVQNDOLAGJXMY-SFHVURJKSA-N 413.485 3.070 0 40 HGAB C[C@H]1CN(C(=O)c2cc(-c3cnc(NCc4ccccc4)nc3)cn2C)C[C@H](C)O1 96266350 XVEROEZTFDHZLP-IRXDYDNUSA-N 405.502 3.344 0 40 HGAB O=C(CSc1nncn1-c1cccc(Cl)c1)O[C@@H]1C(=O)Nc2ccccc21 100684466 RBKIBYLJGVMCJB-INIZCTEOSA-N 400.847 3.249 0 40 HGAB C[C@@H](CCc1ccccc1)NC(=O)CSc1nc(=O)cc(O)n1C1CCCC1 102083242 XINMPXOVRRKARF-HNNXBMFYSA-N 401.532 3.294 0 40 HGAB Cc1ccc(NC(=O)c2c(N3C(=O)[C@H]4[C@@H]5CC[C@H](O5)[C@@H]4C3=O)sc3c2CCC3)cc1 102343600 XAOGRONEMHVGDY-LNMJFAINSA-N 422.506 3.464 0 40 HGAB C[C@H](NC(=O)c1ccccc1)c1nnc(SCC(=O)N[C@H]2CCCC[C@@H]2C)n1C 102958479 RVIDMHALPSSIEO-ZOBUZTSGSA-N 415.563 3.093 0 40 HGAB CC[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1)c1ccc(OC)cc1 106129647 DDESFWHWMSZCGB-GHTZIAJQSA-N 416.543 3.363 0 40 HGAB Cc1cccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4CCCC[C@@H]4C3=O)c2)c1 136287017 XKURAZZZJTUTJJ-PMACEKPBSA-N 420.465 3.470 0 40 HGAB O=C1[C@H]2CC=CC[C@@H]2C(=O)N1C1CN(C(=O)C2(c3ccc(Cl)cc3)CCCC2)C1 217725480 GDDSBNUHFMZUCM-OALUTQOASA-N 412.917 3.314 0 40 HGAB COCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1 222838272 NSYDLKTYUXGHTG-KRWDZBQOSA-N 402.922 3.453 0 40 HGAB C[C@@H](C(=O)NCCO)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(Cl)cc1 222845433 KRJLFYBDDNUZIB-AWEZNQCLSA-N 409.313 3.062 0 40 HGAB Cc1cccc(C)c1N(CC(=O)N[C@@H](C)c1ccc2c(c1)CCC2)S(C)(=O)=O 223170498 UYJAAGHQXLFRKR-KRWDZBQOSA-N 400.544 3.436 0 40 HGAB COc1cccc(OC)c1CN(C)S(=O)(=O)c1ccc(Br)cc1 223724928 LXQPFRVEQHNPQF-UHFFFAOYSA-N 400.294 3.287 0 40 HGAB COc1ccc(S(=O)(=O)N(C)Cc2ccco2)cc1C(=O)N1CCCCCC1 223876046 NHZSWYNLCVURAG-UHFFFAOYSA-N 406.504 3.125 0 40 HGAB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N(C)[C@@H]3CCCC[C@H]3O)cc2)cc1 224181398 MRTANSWYYNGQIT-NHCUHLMSSA-N 416.543 3.196 0 40 HGAB COc1cccc(CN(C(=O)COc2ccc(F)cc2)[C@@H](C)C(=O)NCC(C)C)c1 224451838 VKUIBEYXSJJNLS-KRWDZBQOSA-N 416.493 3.403 0 40 HGAB COC(=O)CN(c1ccc(OC(C)C)cc1)S(=O)(=O)c1ccc(OC)c(C)c1 224659624 KRURYITUWDAQNL-UHFFFAOYSA-N 407.488 3.159 0 40 HGAB CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCSC1CCCC1 224993475 ZPZCCWCFFRQOGF-SFHVURJKSA-N 414.593 3.032 0 40 HGAB Cc1ccc(NC(=S)Nc2ccc(C)c(S(=O)(=O)N3CCN(C)CC3)c2)cc1 225455689 FWBPOQCFOWEIFX-UHFFFAOYSA-N 418.588 3.048 0 40 HGAB COc1ccccc1OCC(=O)N(Cc1ccccc1F)[C@@H](C)C(=O)NCC(C)C 225676849 CZGFOSDUMWQRDV-KRWDZBQOSA-N 416.493 3.403 0 40 HGAB Cc1nccn1[C@@H](C)CC(=O)N1[C@H]2CC[C@H]1CC(O)(Cn1ccc3ccncc31)C2 247940509 GDFBIKVFAVZOJU-VDGAXYAQSA-N 407.518 3.077 0 40 HGAB Cc1ccccc1CC(=O)N1CCC2(CC1)CN(C)C(=O)c1cn(C3CCCC3)nc12 306132988 LYEZKQRDSKAWDO-UHFFFAOYSA-N 420.557 3.495 0 40 HGAB CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCC(C)CC3)C2)cc1C 408559027 KXPZIAVMCLLXTO-SFHVURJKSA-N 408.564 3.053 0 40 HGAB CC1CCN(S(=O)(=O)c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)CC1 408612802 YXDWJIICNXIBDM-SFHVURJKSA-N 416.543 3.363 0 40 HGAB C[C@H](OC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1)C(=O)c1ccccc1 408855079 DEAMIHXVTPCWPU-KBXCAEBGSA-N 421.902 3.308 0 40 HGAB Cc1ccc(CSCCNC(=O)CN(c2cccc(C)c2C)S(C)(=O)=O)cc1 408927039 XPKNDCOTUNAJFP-UHFFFAOYSA-N 420.600 3.427 0 40 HGAB CCCN1C(=O)N/C(=C/c2cc(Cl)c(OCC(=O)OCC)c(Cl)c2)C1=O 409246488 BXJKFJYGKJFSHZ-MDWZMJQESA-N 401.246 3.238 0 40 HGAB Cc1ccc(C)c(NC(=O)CN2C(=O)S/C(=C3\C(=O)Nc4ccccc43)C2=O)c1 409342423 FZZAYZJFLZKRRF-ZCXUNETKSA-N 407.451 3.301 0 40 HGAB C[C@@]1(c2ccc(CNC(=O)N3CCC[C@](C)(c4ccccc4)C3)cc2)NC(=O)NC1=O 502764241 VMHCCEOHEGFFIY-ZEQRLZLVSA-N 420.513 3.005 0 40 HGAB CC(C)(C)[C@H]1CC[C@](O)(CN2CCOC[C@](O)(COc3ccc(F)cc3)C2)CC1 585287806 SEVNESIAQBTRKE-NMNUPHIUSA-N 409.542 3.235 0 40 HGAB CCCCc1ccc(CNC[C@@]2(O)CCN(C(=O)CCc3ccccc3)C[C@@H]2O)cc1 585289940 NKBMLULQDDTCLH-AHWVRZQESA-N 424.585 3.076 0 40 HGAB Cn1ccnc1S(=O)(=O)C1CCN(C(=O)c2ccc(-c3ccsc3)cc2)CC1 585322327 HGBIBLCHQLWCBM-UHFFFAOYSA-N 415.540 3.227 0 40 HGAB Cc1ccc(CNc2ccc3c(c2)CN2CCC[C@@H](C2)C(=O)NCCOCCO3)cc1 643572383 WBPRYJRIPZQYEA-NRFANRHFSA-N 423.557 3.344 0 40 HGAB CCn1nccc1C(=O)Nc1ccc2c(c1)[C@H](NC(=O)c1ccnn1CC)CCC2 669667363 AAMSNRVRVSGMEW-GOSISDBHSA-N 406.490 3.179 0 40 HGAB COc1ccc(Cl)c(C(=O)N2CCC3(CC2)CC(=O)N(Cc2ccncc2)C3)c1 1565556197 YLOFNJZNCSEPOK-UHFFFAOYSA-N 413.905 3.399 0 40 HGAB CN(CCn1cc(Br)cn1)C(=O)Cc1scnc1-c1ccccc1 1570075409 FSYQKEDEODIUAU-UHFFFAOYSA-N 405.321 3.470 0 40 HGAB COc1ccc(OC)c(CN2CCO[C@]3(CCCCN(c4ccccc4)C3=O)C2)c1 2037983638 BAMXMHINQQHAAN-XMMPIXPASA-N 410.514 3.492 0 40 HGAB CCOc1cc(S(=O)(=O)n2nnc3cc(Cl)ccc32)ccc1Br 2087077995 UXBNVVBOZQQKSQ-UHFFFAOYSA-N 416.684 3.483 0 40 HGAB CCOC(=O)c1c(NC(=O)CSc2nc3c(c(=O)[nH]2)CCCC3)sc(C)c1C 11905505 MQEOGAMWXCHEGT-UHFFFAOYSA-N 421.544 3.235 0 40 HGAB Cc1csc([C@@](O)(CC(=O)N[C@@H](C)c2nc(C(C)(C)C)no2)C(F)(F)F)n1 78935532 IIZVPNURTAQDSG-VFZGTOFNSA-N 406.430 3.149 0 40 HGAB COc1cc(CN(C)CC(=O)Nc2ccc3c(c2)OCCO3)ccc1OC(F)F 2654665 UDPYYCBYLBHUFK-UHFFFAOYSA-N 408.401 3.138 0 40 HGAB O=C(CCNC(=O)c1ccccc1)Nc1nc2c(s1)CN(Cc1ccccc1)CC2 3565685 VMJCRVCFWJIRRG-UHFFFAOYSA-N 420.538 3.460 0 40 HGAB COc1ccc(-c2ccc3n(c2=O)C[C@H]2C[C@@H]3CN(C(=O)c3ccncc3)C2)cc1 4237064 NQOJXCFDHWWFHK-QFBILLFUSA-N 401.466 3.178 0 40 HGAB biogenic,in-vitro COc1ccc(N(C)S(=O)(=O)c2csc(C(=O)Nc3nccs3)c2)cc1 6681327 SDBPHUWQWHPRLH-UHFFFAOYSA-N 409.514 3.291 0 40 HGAB Cc1ccc(NC(=O)COC(=O)c2ccc(=O)n(Cc3ccccc3)n2)cc1Cl 7777944 FIBHNCDOJAYJCQ-UHFFFAOYSA-N 411.845 3.049 0 40 HGAB Cc1ccccc1-c1nnc(SCC(=O)N(C)C[C@@H]2COc3ccccc3O2)n1C 8987953 XXASGMVWERSEPK-MRXNPFEDSA-N 424.526 3.181 0 40 HGAB COc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1S(=O)(=O)NC(C)C 8475893 CQRVRCIPZIHYQZ-UHFFFAOYSA-N 400.859 3.427 0 40 HGAB CCOc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C(C(C)=O)=NN3c2ccccc2Cl)cc1 103132604 BXUMKEUQRSWZDZ-HKUYNNGSSA-N 411.845 3.062 0 40 HGAB O=C(CCNS(=O)(=O)c1ccc(C2CCCCC2)cc1)Nc1ncccc1O 22265267 ULEGGCVNTFWWNJ-UHFFFAOYSA-N 403.504 3.142 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(F)cc3)C2)cc1C 9974522 CLDJCLASGFSOAI-HNNXBMFYSA-N 406.479 3.182 0 40 HGAB Cc1cc(=O)oc2cc(OCC(=O)NC[C@H]3CC[C@H](C(=O)O)CC3)c(Cl)cc12 100767664 PRIXVYSKRRCDSF-BETUJISGSA-N 407.850 3.141 0 40 HGAB C[C@@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@@H]1C[C@H]3O 118914076 BHQCQFFYRZLCQQ-KTHVSIGDSA-N 408.579 3.449 0 40 HGAB COC(=O)c1cccc(S(=O)(=O)Nc2ccc(Sc3nccn3C)cc2)c1 12544555 FMRSNPLCQMIYCV-UHFFFAOYSA-N 403.485 3.159 0 40 HGAB CCNc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccc2ncsc2c1 12527276 DQFJYLWFIGVSNR-UHFFFAOYSA-N 404.517 3.231 0 40 HGAB O=C(CCS(=O)(=O)c1ccc(Cl)cc1)OCC(=O)N1CCCc2ccccc21 3250080 GCYVIERALDAKPC-UHFFFAOYSA-N 421.902 3.026 0 40 HGAB C[C@@H](OC(=O)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1)C(=O)N1CCc2ccccc21 26030379 ZSMJGJSRDSVLQJ-APWZRJJASA-N 424.472 3.199 0 40 HGAB O=C(CN1CCN(c2ccc(O)cc2)CC1)N[C@@H](c1ccccc1)c1cccs1 35400032 SEOZXGLIRHRDLO-QHCPKHFHSA-N 407.539 3.482 0 40 HGAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3)c(=O)n2[C@H]1[C@@H]1CC=CCC1 26770667 TVNQDCYEUAARGH-NNLVKANTSA-N 408.523 3.106 0 40 HGAB O=C(COC(=O)[C@@H]1COc2ccccc2O1)Nc1ncc(C(F)(F)F)cc1Cl 3300223 CWTJKPOYOGGPDQ-ZDUSSCGKSA-N 416.739 3.076 0 40 HGAB C[C@H](SCc1cccc(S(=O)(=O)N(C)C)c1)C(=O)N(C)Cc1ccccc1 45090012 GQOQVWXGGCSUDP-INIZCTEOSA-N 406.573 3.217 0 40 HGAB Cc1cc(NC(=O)C2CCN(C(=O)CCC(=O)c3ccc(F)cc3F)CC2)no1 48366050 OKDSYFSFVWBTHS-UHFFFAOYSA-N 405.401 3.101 0 40 HGAB O=C(COC(=O)CCC(=O)c1ccc2c(c1)OCCO2)Nc1ccc(Cl)cc1 11162703 VEJWXBNZLGBBQZ-UHFFFAOYSA-N 403.818 3.256 0 40 HGAB CC(C)CCN1C(=O)c2ccc(C(=O)O[C@@H](C)C(=O)NC3CCCCC3)cc2C1=O 11183212 DCBJPCBTIVAIQR-HNNXBMFYSA-N 414.502 3.323 0 40 HGAB CN(CC(=O)NCc1ccccc1OC(F)(F)F)Cc1ccc2c(c1)OCCO2 11231767 ZLMFRGHMLNPRKH-UHFFFAOYSA-N 410.392 3.105 0 40 HGAB CCCN1C(=O)N/C(=C/c2ccc(OCC(=O)Nc3ccccc3)c(OC)c2)C1=O 409247765 NSUZUGVEMUATSP-SFQUDFHCSA-N 409.442 3.015 0 40 HGAB CC[C@@H](C)[C@@H](NC(N)=O)C(=O)NCc1cn(Cc2ccccc2)nc1-c1ccccc1 11340264 UKWLBBOXPGBNIZ-DYESRHJHSA-N 419.529 3.298 0 40 HGAB O=C([C@@H]1CN(Cc2ccccc2Br)c2ccccc2O1)N1CCOCC1 29142118 KXOWKCGZXYMBFW-IBGZPJMESA-N 417.303 3.076 0 40 HGAB COc1ccc(Br)cc1CN(C)C(=O)NC[C@H]1COc2ccccc2O1 12987426 RFFHMOAPADUQHH-HNNXBMFYSA-N 421.291 3.439 0 40 HGAB Cc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)N3C[C@@]4(C)C[C@@H]3CC(C)(C)C4)=C2)cc1 20366861 ODWCFJGZMPUGCD-JTSKRJEESA-N 415.559 3.285 0 40 HGAB COc1cc(N2C[C@@H](C(=O)Nc3ccc(Cl)cc3)CC2=O)cc(OC)c1OC 12986701 XUELIYSISCBCGA-LBPRGKRZSA-N 404.850 3.357 0 40 HGAB O=C(CNS(=O)(=O)c1ccc(F)cc1)Nc1cc(C(F)(F)F)ccc1Cl 409128664 GDUPTPFTXBGHCW-UHFFFAOYSA-N 410.776 3.415 0 40 HGAB COc1ccc2c(c1OC)C(=O)O[C@H]2N1C(=O)CC[C@H]1C(=O)Nc1cc(C)ccc1C 8994811 HLGXCWYPDZVPGK-KSFYIVLOSA-N 424.453 3.119 0 40 HGAB biogenic COc1ccccc1NC(=O)COc1ccc(S(=O)(=O)N2CCCCC2)cc1C 408595879 VVMGEJRTOXMQRJ-UHFFFAOYSA-N 418.515 3.196 0 40 HGAB O=C(CCn1ncc(=O)c2ccccc21)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 8369121 AZKPUKTZFIKBCS-IBGZPJMESA-N 419.481 3.312 0 40 HGAB CC(C)COc1ccccc1NC(=O)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@@H]12 4029301 UZPCXNBVGBXTQH-ZMIKWESLSA-N 421.490 3.056 0 40 HGAB biogenic O=C(O)/C=C/c1cc(Br)ccc1OCC(=O)NCCc1ccccc1 22077328 QXVHFMSCXCLPPZ-RMKNXTFCSA-N 404.260 3.285 0 40 HGAB Cc1c(NC(=O)COc2ccc(C(=O)c3ccccc3)cc2)cccc1-n1cnnn1 6085291 GIUTXAOPVGIZGD-UHFFFAOYSA-N 413.437 3.219 0 40 HGAB Cc1ccc(-c2c3c(nc4c2c(=O)n(C)c(=O)n4C)-c2ccccc2[C@H]3O)c(C)c1C 408979046 BOQCJPIIFXMBBD-JOCHJYFZSA-N 413.477 3.287 0 40 HGAB Cn1c(=O)c2c(nc3n(-c4cccc(Cl)c4)c(-c4cccs4)cn23)n(C)c1=O 5155856 NIJDTXCOIWAOQJ-UHFFFAOYSA-N 411.874 3.058 0 40 HGAB CC1=C(C(=O)NCc2ccccc2)[C@H](c2ccc(C(F)(F)F)cc2)n2nnnc2N1 5275011 DWYLUNBBDVZNLH-KRWDZBQOSA-N 414.391 3.297 0 40 HGAB Cc1ccc(N(CC(=O)NCCCc2ccc(Cl)cc2)S(C)(=O)=O)c(C)c1 22328191 WIFQVVMTUUWMCX-UHFFFAOYSA-N 408.951 3.472 0 40 HGAB C[C@H]1C[C@@H](C)CN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)C1 14239398 YVVTUDJVUHHLHA-CALCHBBNSA-N 404.576 3.081 0 40 HGAB O=C(CN1CCSc2ccccc21)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 6510809 NNSZLGORTWHUIG-UHFFFAOYSA-N 417.556 3.022 0 40 HGAB CC(=O)Nc1cccc(NC(=O)Cn2cnc3c(Cl)cc(Cl)cc3c2=O)c1 8753935 GVGSCTATSVKAKK-UHFFFAOYSA-N 405.241 3.300 0 40 HGAB CCOc1ccc(NC(=O)Cc2nnc(SCC(=O)c3ccccc3)n2C)cc1 4814662 GGLWEFKBQOUYFN-UHFFFAOYSA-N 410.499 3.370 0 40 HGAB CCn1c(CNC(=O)c2ccco2)nnc1SCC(=O)Nc1cccc(C)c1C 4814957 UXBWVMHXMBBMKV-UHFFFAOYSA-N 413.503 3.169 0 40 HGAB CCc1nnc2n1N[C@H](c1ccc(OC)cc1)[C@H](C(=O)Nc1ccccc1F)S2 6811996 ZZZOONKREHEHRT-QZTJIDSGSA-N 413.478 3.386 0 40 HGAB Cc1nc(SCC(=O)Nc2cccc(S(N)(=O)=O)c2)n(C2CCCCC2)c1C 6973305 AFUZCLPWBOCFMI-UHFFFAOYSA-N 422.576 3.383 0 40 HGAB CSc1ccc([C@H]2NC(=O)N(CC(=O)Nc3cccc(C)c3)C3=C2C(=O)OC3)cc1 67288939 OTRNSSDJIFODQM-HXUWFJFHSA-N 423.494 3.233 0 40 HGAB Cc1ccc(NC(=O)CN2C[C@H](C(=O)N3CCCCC3)Oc3ccccc32)c(F)c1 7252019 ZJVXYEUUAYRXRA-OAQYLSRUSA-N 411.477 3.353 0 40 HGAB CCc1ccc(Cn2nccc2NC(=O)c2nn(CC)c(=O)c3ccccc23)cc1 15613516 WJINNWXUBXQUGF-UHFFFAOYSA-N 401.470 3.476 0 40 HGAB COc1cc(OC)c(N2C[C@@H](C(=O)Nc3ccc4c(c3)OCO4)CC2=O)cc1Cl 7598011 QETLZNUFOFREFN-NSHDSACASA-N 418.833 3.078 0 40 HGAB CCOc1ccc(NC(=S)N(Cc2ccccc2)[C@H]2CCS(=O)(=O)C2)cc1 7735981 DOXNNZQEUHEHPD-SFHVURJKSA-N 404.557 3.471 0 40 HGAB COc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)cn1 8018408 FYKILJKUGVAJFE-UHFFFAOYSA-N 401.419 3.282 0 40 HGAB CC(C)[C@H](C(=O)N[C@@H](C)Cc1c[nH]c2ccccc12)n1nnc2ccccc2c1=O 9051515 XUQSQLGCHHVREM-YCRPNKLZSA-N 403.486 3.217 0 40 HGAB O=C(Cn1c2ccc(F)cc2c2nc3n(c(=O)c21)CCCS3)NCc1ccccc1 9129847 PRHLRUJPYGOMHG-UHFFFAOYSA-N 422.485 3.303 0 40 HGAB Cc1cccc(N2C[C@H](C)Cn3c2nc2c3c(=O)n(Cc3ccccc3)c(=O)n2C)c1 9280954 SNHITEWEBMZAPL-KRWDZBQOSA-N 415.497 3.041 0 40 HGAB Cc1sc(NC(=O)[C@H](C)CS(C)(=O)=O)nc1-c1ccc(OC(F)F)cc1 72309547 HYEIPEVQLZAQHZ-SECBINFHSA-N 404.460 3.339 0 40 HGAB COC(=O)c1ccccc1NC(=O)c1nnn(-c2ccc(OC(F)F)cc2)c1C 19911318 YWEQOEPICZCAMJ-UHFFFAOYSA-N 402.357 3.216 0 40 HGAB CC1(C)NC(=O)N(CCCC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)C1=O 9613896 FIBKFXHAIQARIF-CQSZACIVSA-N 400.504 3.070 0 40 HGAB CCOC(=O)c1sc(NC(=O)CN2CCC(c3nncn3C(C)C)CC2)cc1C 95394533 YHPQERSEPYZLJD-UHFFFAOYSA-N 419.551 3.224 0 40 HGAB Cc1nc2ccccc2n1CCNC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1 9883485 OJVHFLGBGQWSCD-SFHVURJKSA-N 405.502 3.405 0 40 HGAB Cc1cc(C)cc(-n2nc(C)c(Br)c2NC(=O)C(=O)NCC(C)C)c1 89585543 LAYQIYLZABHOCD-UHFFFAOYSA-N 407.312 3.271 0 40 HGAB Cc1ccc(N(C)C(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)cc1 26893769 BZKBHNRQIAREJM-UHFFFAOYSA-N 401.532 3.175 0 40 HGAB CC1=CC[C@H]2C(=O)N(c3ccccc3C(=O)Nc3ccc(C(=O)O)cc3)C(=O)[C@@H]2C1 408689108 YHHNPKKFKGOKSJ-SJLPKXTDSA-N 404.422 3.483 0 40 HGAB COc1ccc(NC(=O)c2ccccc2N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c(OC)c1 408671841 LMFCXAMKHILAID-BMHXQBNDSA-N 418.449 3.268 0 40 HGAB Cc1cccc(CN2C[C@H]3c4cc(-c5ccc(F)nc5)ccc4S(=O)(=O)[C@H]3C2)n1 306142565 XDIUEFNZKNEEFT-FPOVZHCZSA-N 409.486 3.346 0 40 HGAB Cc1nnsc1C(=O)N(CCN1CCOCC1)c1nc2ccc(Cl)cc2s1 36715938 OLYGTXNVACNMSL-UHFFFAOYSA-N 423.951 3.089 0 40 HGAB COC(=O)CN1C(=O)N/C(=C/c2cn(Cc3ccccc3Cl)c3ccccc23)C1=O 33591263 ARDNRUGIMISNHQ-VCHYOVAHSA-N 423.856 3.409 0 40 HGAB Cc1cc(-c2cnc(N3CCN(C(=O)c4ccco4)CC3)nc2-c2ccncc2)on1 72342339 FVDUYPRCHPFILA-UHFFFAOYSA-N 416.441 3.057 0 40 HGAB CSCC[C@@H](NC(=O)CCc1c(C)c2cc3c(C)coc3cc2oc1=O)C(=O)O 11865611 CQFIPENQQSWWCU-MRXNPFEDSA-N 417.483 3.411 0 40 HGAB biogenic CCc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4[C@@H](C)CCC[C@H]4C)[nH]c(=O)c32)cc1 38828372 ICZUEABKUWZZRA-VBQJREDUSA-N 423.517 3.164 0 40 HGAB CNC(=S)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1cc2ccc(C)cc2[nH]c1=O 35313553 USPUCFJTUPLXMB-OAQYLSRUSA-N 423.538 3.306 0 40 HGAB Cc1cc(O[C@@H](C)C(=O)N[C@H]2CC(=O)N(C(C)(C)C)C2)c2c(C)c(C)c(=O)oc2c1 1565524527 JTPQVMXTDQPOHK-HOTGVXAUSA-N 414.502 3.001 0 40 HGAB COc1cc(OC)cc(-c2nc(S/C(=C\c3ccc(N(C)C)o3)C(=O)O)n[nH]2)c1 213370165 UABWOJDTAGEQGF-GDNBJRDFSA-N 416.459 3.366 0 40 HGAB Cc1cc(C(=O)NCCOc2ccccc2C(C)(C)C)ccc1N(C)S(C)(=O)=O 223729515 TVXSATVZRAUABR-UHFFFAOYSA-N 418.559 3.497 0 40 HGAB C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCc1ccccc1CN1CCOCC1 222964968 GWXUDQXLEIHNGG-IBGZPJMESA-N 408.542 3.481 0 40 HGAB Cc1ccc(N(CC(=O)NCc2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1 223970439 ZJIQTIDDCJOIJN-UHFFFAOYSA-N 400.422 3.096 0 40 HGAB COc1ccc(-c2noc(CN(C)S(=O)(=O)c3ccc(Cl)cc3)n2)c(OC)c1 223760607 WTDMMHSAWHLMBI-UHFFFAOYSA-N 423.878 3.228 0 40 HGAB Cc1cccc(OCC(=O)N2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)c1 40070922 YRBUALIFLUJZTB-UHFFFAOYSA-N 406.404 3.377 0 40 HGAB O=C(O)[C@H]1[C@@H]2C=C[C@@H](CC2)[C@@H]1C(=O)NCCCn1nc(C(F)(F)F)cc1C1CC1 225753718 RGAGQKMRRLTDJO-RMHZUWNSSA-N 411.424 3.199 0 40 HGAB CSc1ccc(S(=O)(=O)Nc2ccc(C(=O)NC[C@@H]3CCCO3)cc2)cc1 223994360 KEEJYHZLRURQDX-INIZCTEOSA-N 406.529 3.118 0 40 HGAB CN(CC(=O)Nc1ccc(Br)c(Cl)c1)S(=O)(=O)c1ccccc1 222664996 RPHYDJULKQMWNH-UHFFFAOYSA-N 417.712 3.362 0 40 HGAB Cc1nc2cc(NC(=O)c3cc(-c4cccnc4)n[nH]3)ccc2n1CCCN(C)C 96116790 SGMYMCGPTRPPRV-UHFFFAOYSA-N 403.490 3.334 0 40 HGAB CCn1c(CCCC(=O)N(C)[C@@H]2CCC[C@@H](n3ccnc3C)[C@@H]2O)nc2ccccc21 257243545 IHMLCEYJGWLJBC-PQNGQFLHSA-N 423.561 3.497 0 40 HGAB CC1(C)[C@H]2C[C@H]3Oc4c(ccc(O)c4C(=O)NC4CCCCCC4)[C@H](O)[C@@]3(O)[C@@H]1C2 257299851 RRWQUCVCJUCSFT-VYQNVILESA-N 415.530 3.436 0 40 HGAB c1ccc(N2CCCCC2)c(CN2CCOC[C@H](Cc3cn4ccnc4cn3)C2)c1 257334383 YFQUBHQZNNXZAI-HXUWFJFHSA-N 405.546 3.411 0 40 HGAB CC[C@@H](NC(=O)[C@H](C)Oc1ccc(N(C)S(C)(=O)=O)cc1)c1ccc(C)cc1 260839008 GPTXEZMHRJNCLE-OXJNMPFZSA-N 404.532 3.426 0 40 HGAB CCS(=O)(=O)c1ccc([C@H](C)NS(=O)(=O)CCc2ccccc2Cl)cc1 1622120540 ZJRNGVYLXAZDOD-AWEZNQCLSA-N 415.964 3.357 0 40 HGAB CC(=O)N1CCc2cc(S(=O)(=O)NCCOc3cc(C(C)C)ccc3C)ccc21 670428079 YSFPSXDYSLBKPN-UHFFFAOYSA-N 416.543 3.385 0 40 HGAB COc1ccc(-n2ncc3c2CC(C)(C)C[C@H]3NC(=O)CCn2nc(C)nc2C)cc1 12145614 RLRWZYNSIJNKIK-HXUWFJFHSA-N 422.533 3.309 0 40 HGAB Cc1cc(OCC(=O)N2CCC(c3noc(-c4cnccn4)n3)CC2)ccc1Cl 12187387 ZTGCHNPKPCBUGW-UHFFFAOYSA-N 413.865 3.273 0 40 HGAB COc1ncccc1[C@H](Cc1ccsc1)NC(=O)c1nn(C)cc1-c1ccno1 12228963 AEYQBUCHRDKOSD-INIZCTEOSA-N 409.471 3.254 0 40 HGAB O[C@H]1[C@H](NCc2ccc(-c3ccccc3)cc2)[C@H]2CO[C@H](O2)[C@@H]1Oc1ccccc1 12483177 SSBRIVNHYSQSCV-NHTNDUFYSA-N 403.478 3.375 0 40 HGAB biogenic,in-vitro COc1ccc(-c2ccc(=O)n(CCCC(=O)N(C)c3ccccc3)n2)cc1OC 12888312 VINNQQORKUQLBI-UHFFFAOYSA-N 407.470 3.371 0 40 HGAB CC[C@H](C(=O)Nc1ccc(Cl)c(C(=O)OC)c1)N(c1ccccc1)S(C)(=O)=O 13711599 GNGRWOLEPFALSL-QGZVFWFLSA-N 424.906 3.310 0 40 HGAB COc1ccc(OCCCC(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)cc1 14399331 QPHWXMPEVQSOQR-LJQANCHMSA-N 412.486 3.402 0 40 HGAB Cc1noc(C)c1COc1ccc(CC(=O)OCc2nnnn2-c2ccccc2)cc1 17716209 QXGUOYSNWPWJGT-UHFFFAOYSA-N 419.441 3.132 0 40 HGAB Cc1cc2nccc([C@H]3CCCN3C(=O)CCn3nc(C(F)(F)F)cc3C)n2n1 19130704 NEJXXEFBJPHPFX-CQSZACIVSA-N 406.412 3.315 0 40 HGAB CCc1cc(C(F)(F)F)n2nc([C@@H]3CCCN(S(=O)(=O)C(C)C)C3)cc2n1 19522241 MSBDILFJGSQYOI-GFCCVEGCSA-N 404.458 3.228 0 40 HGAB CN(C)c1ncc(-c2cccc(F)c2)c([C@@H]2CCCN(CC(=O)N3CCCC3)C2)n1 19694665 FQCLEQAYPOAESG-GOSISDBHSA-N 411.525 3.151 0 40 HGAB Cc1noc(C)c1CCC(=O)N1CCC[C@H](c2cc3nc4c(c(O)n3n2)CCCC4)C1 100138539 DXUMUOLHUTYIPI-INIZCTEOSA-N 423.517 3.257 0 40 HGAB COc1cc(C[C@H]2C(=O)OC[C@@H]2Cc2ccc3c(c2)OCO3)cc(OC)c1OC 1575142 GMLDZDDTZKXJLU-JKSUJKDBSA-N 400.427 3.016 0 40 HGAB biogenic,in-vivo Cc1nccn1C[C@@H](C)C(=O)N1CCC[C@@H](c2nc3ccc(F)cc3cc2C(N)=O)C1 12088396 CKFUGNLHVXYDSW-GDBMZVCRSA-N 423.492 3.020 0 40 HGAB Cn1cc(Cl)c([C@H]2CCCCCN2S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)n1 12159725 NPTHHIBKGHCHPK-QGZVFWFLSA-N 422.938 3.264 0 40 HGAB O=S(=O)(Cc1noc2ccccc12)NC[C@@](O)(c1ccsc1)c1cccs1 238871505 NAEFKBQAPQWIPH-GOSISDBHSA-N 420.537 3.306 0 40 HGAB COc1ccc(OC)c(S(=O)(=O)Nc2ccc(N3CCCCC3=O)c(OC)c2)c1 5329918 PJLNROSLHOOGDT-UHFFFAOYSA-N 420.487 3.030 0 40 HGAB O=C(CSc1nnc2n1CCN2c1ccc(F)cc1)Nc1ccc2c(c1)OCO2 9573979 DPZHYIUDEKNPHA-UHFFFAOYSA-N 413.434 3.028 0 40 HGAB COCCn1cc(C(=O)NCc2ccc(C)cc2)c2nn(-c3ccccc3)c(=O)c-2c1 9661572 OMPQUINHXZNDQA-UHFFFAOYSA-N 416.481 3.024 0 40 HGAB CS(=O)(=O)c1ccc(-c2ccc(NS(=O)(=O)c3cccc(Cl)c3)cc2)nn1 9650576 YOQMYCHWWUCXCC-UHFFFAOYSA-N 423.903 3.001 0 40 HGAB Cc1ccnc(SCc2cc(=O)c(OC(=O)c3cc4ccccc4oc3=O)co2)n1 9829311 UAQRMNKVJAGECN-UHFFFAOYSA-N 422.418 3.356 0 40 HGAB Cc1ccc(-n2c(-c3ccc(F)cc3)cn3c4c(=O)[nH]c(=O)n(C)c4nc23)cc1C 10104478 KZXRMRTZZMVLCF-UHFFFAOYSA-N 403.417 3.088 0 40 HGAB Cc1ccc(N2CCCn3c2nc2c3c(=O)n(CCC(C)C)c(=O)n2C)cc1Cl 10104824 MESOQEPVXVGECE-UHFFFAOYSA-N 415.925 3.446 0 40 HGAB O=C([C@H]1CCCO1)N1CCc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc21 13696702 FQBQYEMHUHFFQI-GOSISDBHSA-N 406.891 3.209 0 40 HGAB COc1ccc(Br)c(C(=O)NCC2CCN(c3ccccn3)CC2)c1 43976224 MOGBLFSIDJDYIW-UHFFFAOYSA-N 404.308 3.499 0 40 HGAB CC(C)[C@@H](NS(=O)(=O)c1cccs1)C(=O)Nc1ccc(N2CCCC2)cc1 10429327 CZKXLKFAWCGOHC-GOSISDBHSA-N 407.561 3.290 0 40 HGAB C[C@H]1C[C@H](C)CN(C(=O)c2ccccc2NC(=O)c2cnc3sccn3c2=O)C1 40091125 LPVBIRYDTVZSCO-KBPBESRZSA-N 410.499 3.126 0 40 HGAB O=C(Cn1ccc2c(Br)cccc21)N[C@@H](Cc1ccccc1)C(=O)O 40312847 ZQGUAWAMPUIZAM-INIZCTEOSA-N 401.260 3.216 0 40 HGAB biogenic CCn1c(=O)c(C)nc2cc(C(=O)Nc3cc(C(=O)OC)c(F)cc3F)ccc21 31028551 OGZWLAZAWGOFLJ-UHFFFAOYSA-N 401.369 3.042 0 40 HGAB CCS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCCSc1ccccc1 31552959 JOKOVMQERJUOSI-FQEVSTJZSA-N 418.584 3.062 0 40 HGAB CSc1ncc(C(=O)N2CCN(Cc3csc(C)n3)CC2)n1-c1ccccc1 32332901 XOOJDOPCYBBJKG-UHFFFAOYSA-N 413.572 3.317 0 40 HGAB COc1ccc(C(=O)N(C)Cc2ccc([C@H]3C[C@@H]3C)o2)cc1S(=O)(=O)NC(C)C 29885162 YRLBZYUWXYUWMI-YOEHRIQHSA-N 420.531 3.371 0 40 HGAB O=S(=O)(NC[C@@H](c1cccc(Cl)c1)N1CCCC1)c1ccc2c(c1)OCO2 11999431 FRFJBZDSGMTYLJ-KRWDZBQOSA-N 408.907 3.184 0 40 HGAB C[C@H](NC(=O)c1csc(S(N)(=O)=O)c1)C(c1ccccc1)c1ccccc1 46579596 NGLGRCAPXJPBGX-AWEZNQCLSA-N 400.525 3.346 0 40 HGAB COc1ccc([C@H]2CCCN2C(=O)C2CCN(C(=O)N3CCCC3)CC2)c(OC)c1 69930331 HWDUTGLFIODHMG-HXUWFJFHSA-N 415.534 3.295 0 40 HGAB C[C@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)Cn1cnc2c(oc3ccccc32)c1=O 78974681 RCYLTGZDQLXSCE-WYIRRWHOSA-N 423.494 3.100 0 40 HGAB Cc1ccc(-c2ccc(=O)n(CCC(=O)N3CCN(C4CCCCC4)CC3)n2)cc1 41252820 RTTIOKFJEWMQAY-UHFFFAOYSA-N 408.546 3.086 0 40 HGAB CCn1ncc(C2=NO[C@@H](C(=O)Nc3cnn(C45CC6CC(CC(C6)C4)C5)c3)C2)c1C 4101510 IASAUWNYRCHHKB-YYAZDPENSA-N 422.533 3.465 0 40 HGAB O=C(Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(C(=O)c2ccccc2)C1)c1ccccc1 4236313 NCIXIHGBOSJDID-FXAWDEMLSA-N 413.477 3.360 0 40 HGAB biogenic,in-vitro COC(=O)c1ccc(CNC(=O)COc2ccccc2C(=O)Nc2ccccc2)cc1 6231821 YHXRVAWRHPZNBA-UHFFFAOYSA-N 418.449 3.421 0 40 HGAB CCn1c(SCC(=O)Nc2ccc(C)c(NC(C)=O)c2)nnc1-c1cccnc1 10231028 VFJOUJVGWDALTC-UHFFFAOYSA-N 410.503 3.358 0 40 HGAB CC[C@H](Oc1ccccc1OC)C(=O)Nc1cc(OC)c(OC)cc1C(=O)OC 8041602 BBDJANLWWZSMCP-HNNXBMFYSA-N 403.431 3.295 0 40 HGAB O=C(COC(=O)CCN1C(=O)c2ccccc2C1=O)Nc1ccc(Cl)cc1Cl 8667832 KPCXBRCUDZYPKV-UHFFFAOYSA-N 421.236 3.161 0 40 HGAB CCc1nnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)cc3)cc2)s1 652110 WLBXDZBRZZIVDJ-UHFFFAOYSA-N 402.501 3.462 0 40 HGAB CCOC(=O)[C@@H]1CCCN(C(=O)Nc2ccc(-n3cncn3)cc2C(F)(F)F)C1 47673319 AFUPABAJDDQSIB-GFCCVEGCSA-N 411.384 3.093 0 40 HGAB CCCCS(=O)(=O)c1nnc(NC(=O)[C@@H](CC)Oc2ccccc2F)s1 27745213 LRFPACAHJWRKTI-GFCCVEGCSA-N 401.485 3.047 0 40 HGAB O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C(=O)N1CN(C(=O)C(F)(F)F)c1ccccc1Cl 100395224 JVRDQUOEXUDOPB-ARMQCYDYSA-N 424.806 3.246 0 40 HGAB C[C@@H](NS(=O)(=O)c1cccc(Cl)c1)C(=O)Nc1ccc(N2CCCC2)cc1 12515846 FOJHJMZPDVLJDL-CQSZACIVSA-N 407.923 3.246 0 40 HGAB COCCOc1ccc(C(F)(F)F)cc1NC(=O)Cn1nnc(-c2ccccc2)n1 9958374 MVQNIOJAYQVDMU-UHFFFAOYSA-N 421.379 3.023 0 40 HGAB COc1ccccc1CNC(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1C 113942117 BKULYZJLNUWARV-UHFFFAOYSA-N 416.543 3.498 0 40 HGAB CC(C)C[C@H](NC(=O)c1ccc(N(C)S(=O)(=O)N(C)C)cc1)c1ccccc1 20110401 DRESQSKRNYCCIX-FQEVSTJZSA-N 403.548 3.446 0 40 HGAB CCCCn1c(CN(C)Cc2ccccc2F)nc2cc(S(N)(=O)=O)ccc21 57697436 NGAIXEXMNURMIT-UHFFFAOYSA-N 404.511 3.255 0 40 HGAB CCSc1nnc(NC(=O)CN(C)S(=O)(=O)c2ccc3ccccc3c2)s1 22397001 KUROIXSJQDHRDI-UHFFFAOYSA-N 422.557 3.063 0 40 HGAB C[C@@H](OC(=O)c1cnn(C)c1-n1cccc1)C(=O)Nc1ccc(Br)cc1 27139193 OUHMXFFCSGUKIU-GFCCVEGCSA-N 417.263 3.157 0 40 HGAB Cc1occc1C(=O)Nc1cc(NC(=O)N[C@@H](C)CN2CCCC2=O)ccc1F 48260877 HGHRJQCFNJIFSH-LBPRGKRZSA-N 402.426 3.112 0 40 HGAB CCc1nnc2sc(-c3cccc(NC(=S)NC(=O)Cc4ccccc4)c3)nn12 57316506 HLHPMUHYBKHRFK-UHFFFAOYSA-N 422.539 3.471 0 40 HGAB CCOC(=O)[C@H]1S[C@]2(C(F)F)C[C@]1(O)c1c(c(OC)c3occc3c1OC)O2 100641175 UVSRNJPOKWRXBT-JLSDUUJJSA-N 416.398 3.060 0 40 HGAB CCc1cccc(CC)c1NC(=O)C(=O)N[C@H](c1cccc(OC)c1)c1nccn1C 58154272 QJWSJFLBUGDTCG-OAQYLSRUSA-N 420.513 3.398 0 40 HGAB Cc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)NCc1cc2ccccc2[nH]1 58115249 LUAQVOSIETVYGI-UHFFFAOYSA-N 423.494 3.478 0 40 HGAB C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)N1CCN(c2ccccc2Cl)CC1 58160829 FSKZTJZEPPSFNK-OAHLLOKOSA-N 401.894 3.260 0 40 HGAB CCOc1ccccc1CNC(=O)c1ccc(CS(=O)(=O)N2CCCCC2)cc1 20034907 KJNVGHQSRQFXLC-UHFFFAOYSA-N 416.543 3.331 0 40 HGAB CCc1ccc2nc(NC(=O)CN3C(=O)N[C@]4(CCCC[C@@H]4C)C3=O)sc2c1 3324808 BAVLPEXGJQPLHH-YUNKPMOVSA-N 400.504 3.298 0 40 HGAB COc1cc(CNC(=O)c2cccnc2-n2cncn2)ccc1OCc1ccccc1 12788322 FIMGCBKXNMWRQK-UHFFFAOYSA-N 415.453 3.180 0 40 HGAB O=C(OCc1cc(-c2cccs2)on1)c1sccc1S(=O)(=O)NC1CC1 10567484 XYUBDNDLCGTEGQ-UHFFFAOYSA-N 410.498 3.262 0 40 HGAB COc1cc(CN(C)C(=O)CSCCC(=O)O)ccc1OCc1ccccc1 12793531 GQLQGNKSMDHEQG-UHFFFAOYSA-N 403.500 3.441 0 40 HGAB CCc1cc(C(=O)N2CCN(C)CC2)c2c(C3CC3)nn(-c3ccc(F)cc3)c2n1 36621658 GDXBLADJFKNRBB-UHFFFAOYSA-N 407.493 3.387 0 40 HGAB CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)NCc1cnn(-c2ccccc2)c1 11562483 HSRPJTSLNSVQNY-FQEVSTJZSA-N 412.440 3.221 0 40 HGAB Cc1ccccc1[C@H](OC[C@@H](O)Cn1cnc2ncccc2c1=O)c1ccccc1 12845733 KAUCSJQAXXYHGK-SIKLNZKXSA-N 401.466 3.267 0 40 HGAB COc1ccc(OC)c([C@@H](C)NC(=O)Cn2c(S)nnc2-c2cccc(C)c2)c1 12974106 WRXVVGJMHQLIKX-CQSZACIVSA-N 412.515 3.437 0 40 HGAB COc1ccc([C@H]2CCCN2C(=O)Cn2cnc3c(C)cccc3c2=O)c(OC)c1 12931406 ANBINQYWAIXQOJ-LJQANCHMSA-N 407.470 3.086 0 40 HGAB CC(C)[C@H](NC(=O)CCN1C(=O)c2ccccc2C1=O)c1ccc2c(c1)OCCCO2 12944907 UZEDUVDWJXMXPI-QFIPXVFZSA-N 422.481 3.348 0 40 HGAB COc1cc(NC(=O)NCc2cnn(-c3ccccc3)c2)ccc1N1CCCC1=O 69918209 ZUFWLTDFEODGOI-UHFFFAOYSA-N 405.458 3.329 0 40 HGAB C[C@@H](NS(C)(=O)=O)C(=O)Nc1nc(-c2ccc3c(c2)Cc2ccccc2-3)cs1 63095192 GHNCFDCSXDXBTB-GFCCVEGCSA-N 413.524 3.258 0 40 HGAB CCNC(=O)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1cccc(Br)c1 8720966 LSQVXIINKULYNI-OVCLIPMQSA-N 417.259 3.085 0 40 HGAB COc1cccc(N2C[C@H](C(=O)Nc3nnc(COc4ccccc4)s3)CC2=O)c1 49550961 PTWWLIGLLRGWCH-CQSZACIVSA-N 424.482 3.117 0 40 HGAB O=C(CCc1nc2ccccc2c(=O)[nH]1)OCc1cc(=O)oc2cc3c(cc12)CCC3 4292981 VGXDATUQIXVQDC-UHFFFAOYSA-N 416.433 3.194 0 40 HGAB O=C(COC(=O)c1n[nH]c(=O)c2ccccc12)Nc1ccccc1Cc1ccccc1 5182597 RHWIKQQWIVOZIU-UHFFFAOYSA-N 413.433 3.309 0 40 HGAB Cc1cccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2)c1C 13945463 LDEVUJDQQNMNJT-OAHLLOKOSA-N 400.862 3.492 0 40 HGAB C[C@@H](OC(=O)Cn1nc(-c2ccccc2)oc1=O)C(=O)Nc1cccc2ccccc12 5242331 NFTUFPSMNRFZQJ-OAHLLOKOSA-N 417.421 3.227 0 40 HGAB COc1cccc([C@@H](CNC(=O)c2ccc(N3CCCC3=O)cc2)N2CCCC2)c1 9337236 IAEWETLJMTWDAK-JOCHJYFZSA-N 407.514 3.389 0 40 HGAB Cn1ccnc1[C@H](NC(=O)C1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(F)cc1 14403269 BJBVNIJFDBFZGM-GOSISDBHSA-N 416.497 3.412 0 40 HGAB CS(=O)(=O)N1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc(F)cc3)=NN12 5557113 RKNOALDQWUSNGM-IBGZPJMESA-N 415.490 3.121 0 40 HGAB CCc1ccc(N2C[C@H](C(=O)OCC(=O)N[C@H]3CCCc4ccccc43)CC2=O)cc1 6619737 BNRZLMPDRJISEF-KNQAVFIVSA-N 420.509 3.339 0 40 HGAB CS(=O)(=O)Cc1cccc(C(=O)Nc2nc3ccccc3nc2N2CCCC2)c1 14802317 WHJSQIQEYXLFHL-UHFFFAOYSA-N 410.499 3.027 0 40 HGAB CC(C)Oc1cccc(CCCNC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)c1 22363227 UJZYEKJEYRNESB-UHFFFAOYSA-N 422.522 3.128 0 40 HGAB O=C(CNc1cccc(S(=O)(=O)N2CCCCC2)c1)Nc1ccc(F)cc1F 15345852 VCJFHGBFHRLFGF-UHFFFAOYSA-N 409.458 3.190 0 40 HGAB C[C@@H](C(=O)Nc1ccc(N(C)C)cc1)N1CCC(C(=O)Nc2ccccc2O)CC1 15507428 SFLASZMHUQKMSX-INIZCTEOSA-N 410.518 3.136 0 40 HGAB COCCN(Cc1ccccc1)S(=O)(=O)c1cc(Br)ccc1OC 7216243 NWNMDRDDWRBNME-UHFFFAOYSA-N 414.321 3.295 0 40 HGAB S=C(NCCCN1CCOCC1)N(Cc1ccc(Cl)cc1)Cc1ccccn1 20534290 AYLLIFAFRSNGFX-UHFFFAOYSA-N 418.994 3.334 0 40 HGAB O=C(CSc1ncnc2sccc12)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1 9245167 MTAOSSGTVXGXFA-AWEZNQCLSA-N 419.553 3.004 0 40 HGAB COc1ccc([C@@H](CC(=O)N(C)Cc2cnn(-c3ccccc3)c2)NC(C)=O)cc1 16781149 OVZBGINOXKMZFX-JOCHJYFZSA-N 406.486 3.107 0 40 HGAB CCCCN1C(=O)[C@H]([C@H]2c3ccccc3C(=O)N2Cc2ccccc2)C(=O)N=C1S 17056332 BYYAVTYYLLWXRL-RTBURBONSA-N 421.522 3.455 0 40 HGAB O=C1C[C@@H](N2CCC(c3nc4ccccc4o3)CC2)C(=O)N1c1ccc2c(c1)OCO2 19877413 HTSDPHWVIHALKR-QGZVFWFLSA-N 419.437 3.068 0 40 HGAB Cc1ccccc1[C@H](C)NC(=O)Nc1cc(C2CC2)nn1[C@H]1CCS(=O)(=O)C1 84234823 MSRPTAKCEKHBED-HOCLYGCPSA-N 402.520 3.311 0 40 HGAB CSc1ccc([C@@H](C)NC(=O)/C=C/c2ccc(CN(C)S(C)(=O)=O)o2)cc1 20030387 GYYJSSBLGGYMAB-BRADTZPFSA-N 408.545 3.284 0 40 HGAB C/C(Cl)=C\Cn1c(SCCCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C 26642338 LAKZTCYXWIGBQY-JLHYYAGUSA-N 404.923 3.291 0 40 HGAB CCCNC(=O)c1cc(S(=O)(=O)Nc2ccc(C(=O)OCC)cc2)ccc1C 408600386 AMCMORABOIQKHM-UHFFFAOYSA-N 404.488 3.112 0 40 HGAB CSCC[C@@H](NC(=O)c1cc2c(cc1Cl)NC(=O)C2)c1nnc2ccccn12 1515150738 LHKFQMJEXVNHRZ-CQSZACIVSA-N 415.906 3.102 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)NCCSCc1ccco1 31252244 RKDLNZJHABARPH-UHFFFAOYSA-N 408.545 3.036 0 40 HGAB CCc1cccc2c(/C=C3/C(=O)N(c4ccccc4)C(=S)N3C)cn(CC(N)=O)c12 39556707 OSGPSTYERHWLCR-UNOMPAQXSA-N 418.522 3.293 0 40 HGAB O[C@@H](CSc1nnc(N2CCCCC2)n1C[C@@H]1CCCO1)c1ccc(F)cc1 32900859 JSQPOJUONRRAPV-ROUUACIJSA-N 406.527 3.412 0 40 HGAB CN1C[C@@H](NS(=O)(=O)c2ccc(Cl)cc2)C[C@H]1c1nc(-c2ccccc2)no1 30879574 IDZZJHCTZVKVLB-RDJZCZTQSA-N 418.906 3.114 0 40 HGAB biogenic,in-vitro COc1cc(CNCc2cc(-c3ccccc3)cn3nnnc23)cc(OC)c1OC 72392325 DRLJQOTXKGRWOW-UHFFFAOYSA-N 405.458 3.107 0 40 HGAB CC(C)(C)c1ccc(C(=O)NCC(=O)Nc2ccc(NC(=O)[C@H]3CCCO3)cc2)cc1 40072042 NOPURCQYNYSKAA-HXUWFJFHSA-N 423.513 3.470 0 40 HGAB Cc1nc2c(O)cccn2c(=O)c1CCN1CCC(c2noc3cc(F)ccc23)CC1 44136143 MLGMRYPFEBQSBO-UHFFFAOYSA-N 422.460 3.411 0 40 HGAB in-vitro COc1ccc(S(=O)(=O)N(C)c2ccc(I)cc2)cc1F 225102369 APNJTSWRTDGKAR-UHFFFAOYSA-N 421.231 3.264 0 40 HGAB CCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)COc1ccc(OC)cc1 224352975 JAQOFQDIRNFIDX-FQEVSTJZSA-N 402.466 3.157 0 40 HGAB CC[C@@H](NC(=O)COc1ccc(N(C)S(C)(=O)=O)cc1)c1ccc(C)c(C)c1 224376425 KIIXPZFCHNZAJB-HXUWFJFHSA-N 404.532 3.346 0 40 HGAB Cc1ccc(C(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1C 224420685 WXANHLKWKFJXAE-UHFFFAOYSA-N 416.543 3.287 0 40 HGAB C[C@@H](NC(=O)CN(c1ccc(F)cc1)S(C)(=O)=O)c1ccc2c(c1)CCCC2 222919729 ZMGYFTVXERKDAJ-OAHLLOKOSA-N 404.507 3.348 0 40 HGAB Cc1ccc2c(c1)CC[C@@H](C(=O)NCCCNC(=O)[C@H]1CCc3cc(C)ccc3O1)O2 581658937 SWVPLIXDZOLUMQ-ZRZAMGCNSA-N 422.525 3.013 0 40 HGAB Cc1ccc(NC(=O)c2ccc3nnc4nc(C)n(C[C@H]5CCCO5)c4c3c2)cn1 96264332 ZNOCIUHTPWOIIV-QGZVFWFLSA-N 402.458 3.423 0 40 HGAB OCc1ccc(CN2CC[C@]3(COCc4cnc(NCc5ccccc5)nc43)C2)cc1 247945959 QXGYADVRXUGFAP-RUZDIDTESA-N 416.525 3.255 0 40 HGAB Cc1cc(Cc2ccccc2)cc([C@@H]2CN(C(=O)CCn3nc(C)nc3C)CCO2)n1 257238050 HJJIOGKBEIOFHD-QHCPKHFHSA-N 419.529 3.179 0 40 HGAB COc1ccc(Nc2cc(C)nc([C@@H]3CCCN(C(=O)CN4CCOCC4)C3)c2)cc1 257342719 ZPWAHEUTFKQUJT-LJQANCHMSA-N 424.545 3.180 0 40 HGAB C[C@@H]1CCCN(c2cc(N3CCCCC3)nc(NC(=S)NC[C@H]3CCCO3)n2)C1 260715025 LKOGFPNCJAAYQB-IAGOWNOFSA-N 418.611 3.169 0 40 HGAB COc1ccc(N(CCCC(=O)N[C@H](C)c2ccccc2C)S(C)(=O)=O)cc1 260843213 PJBYWRXTERIYPM-QGZVFWFLSA-N 404.532 3.427 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)N[C@H]1C[C@H]2CC[C@H]1C2 260759630 CKBOOPKFUAIBCO-ZWOKBUDYSA-N 420.575 3.107 0 40 HGAB Cc1ccc(Cl)cc1S(=O)(=O)N(Cc1ccccc1)[C@@H]1C=CS(=O)(=O)C1 575426037 LETITBVWMMUXJI-QGZVFWFLSA-N 411.932 3.150 0 40 HGAB COc1ccc(-c2nc3n(c2NC(C)(C)C)CCN(C(=O)c2cnccn2)C3)cc1 12116186 AKOLYDKWRDAWBB-UHFFFAOYSA-N 406.490 3.215 0 40 HGAB CCN1CCC(NS(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 14096814 NCWSBEXILZHQJN-UHFFFAOYSA-N 404.376 3.487 0 40 HGAB COC(=O)c1cccc(NC(=O)CN(c2cccc(Cl)c2C)S(C)(=O)=O)c1C 14413413 SGHUUEOXFHGIQI-UHFFFAOYSA-N 424.906 3.148 0 40 HGAB C[C@H]1C(=O)N(CN2CCN(c3cccc(Cl)c3)CC2)C(=O)N1c1ccc(F)cc1 16046986 DXERIAVKNNNPHX-HNNXBMFYSA-N 416.884 3.416 0 40 HGAB CN(CC(=O)NC1CCCCCCC1)S(=O)(=O)c1ccc(Br)cc1 16187747 WOENACHXFOTIRO-UHFFFAOYSA-N 417.369 3.299 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(CCC(=O)Nc2ccc(OC)cc2OC)cc1 16635685 VCMVWQJAUYVCRY-UHFFFAOYSA-N 420.531 3.306 0 40 HGAB Cc1cccc(C(=O)N2CC3(C)CN(C(=O)c4cccc(C)c4)CC(C)(C2)C3=O)c1 16888958 WVCFDSSPHFDBKQ-UHFFFAOYSA-N 404.510 3.497 0 40 HGAB Cc1nc(C)n(C[C@@H](C)C(=O)N2CCc3onc(Nc4c(C)cccc4C)c3C2)n1 19235748 HFAXNVOTWGEZMH-OAHLLOKOSA-N 408.506 3.464 0 40 HGAB COc1ccccc1CC(=O)N[C@H](Cc1c[nH]c2ccccc12)c1cc(=O)[nH]c(C)n1 19285126 BPVRLSBEQAVZEO-HXUWFJFHSA-N 416.481 3.211 0 40 HGAB CCNC(=O)[C@@]1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)c2cnccn2)C1 19529104 NKOCKRNPMZGMEJ-RUZDIDTESA-N 414.509 3.355 0 40 HGAB COc1ccc(N2C[C@@H](C(=O)N3CCC[C@H]3c3ccc(OC)cc3OC)CC2=O)cc1 19556330 DKAZKJJIPOHSFM-KKSFZXQISA-N 424.497 3.429 0 40 HGAB COc1cccc(CC[C@@H]2CCCCN2C(=O)c2ccnc(N3CCN(C)CC3)c2)c1 19662591 IPZXJOSJUUNGMT-QFIPXVFZSA-N 422.573 3.470 0 40 HGAB COc1ccc(CCC(=O)N2CCC(c3ccc(C(=O)N(C)C)cn3)CC2)cc1C 19708291 JOGGLLKVMBVSPN-UHFFFAOYSA-N 409.530 3.439 0 40 HGAB COCCNC(=O)c1cc([C@H]2CCN(Cc3cnc(C)s3)C2)nc2ccccc12 19761106 FOPLOHYKAYHPLI-INIZCTEOSA-N 410.543 3.365 0 40 HGAB CCCc1nnc(S/C(=C\c2cc3c(cc2Br)OCO3)C(=O)O)[nH]1 7342232 FEABHLVFMMSNFL-XGICHPGQSA-N 412.265 3.466 0 40 HGAB Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)N1CCCC[C@H]1C)CC1(CCOCC1)O2 19218637 KRWZBJSVUNHMCN-QZTJIDSGSA-N 400.519 3.168 0 40 HGAB C[C@@H](Sc1ccccc1)C(=O)N1CCN([C@@H](C(N)=O)c2ccc(Cl)cc2)CC1 24061607 ZCCGNYJPZBVBNN-DNVCBOLYSA-N 417.962 3.191 0 40 HGAB COc1ccccc1N(CC(=O)N1CCC(C)CC1)S(=O)(=O)c1ccccc1 656485 UUKJJINYVGDGTO-UHFFFAOYSA-N 402.516 3.149 0 40 HGAB CCN(C(=O)N[C@@H]1CC(=O)N(c2ccc(OC)c(OC)c2)C1)c1ccc(OC)cc1 4479856 QFYORHYLTUREMD-OAHLLOKOSA-N 413.474 3.054 0 40 HGAB COc1ccc(OC)c(C(=O)CSc2nccn(-c3cccc(F)c3)c2=O)c1 9639466 AIAAJHQGWCEHFI-UHFFFAOYSA-N 400.431 3.364 0 40 HGAB CS(=O)(=O)c1ccc(CC(=O)Nc2nc3c(s2)COc2ccccc2-3)cc1 10252738 LMHXEQHZQQONQO-UHFFFAOYSA-N 400.481 3.287 0 40 HGAB CN(C)[C@@H](CNS(=O)(=O)c1ccc(Br)cc1)c1ccc(F)cc1 10335388 RDPCYYKSKPCDBE-INIZCTEOSA-N 401.301 3.169 0 40 HGAB C[C@H]1CN(C(=O)CSc2ncnc3c2cnn3-c2cccc(Cl)c2)C[C@@H](C)O1 17246293 SZMLTMRGNYUFCB-BETUJISGSA-N 417.922 3.197 0 40 HGAB Cc1cc(C)cc(O[C@H](C)C(=O)N2CCC(Cn3nc4c(cc3=O)CCCC4)CC2)c1 1775965799 IHDMNCXLZRIZIY-LJQANCHMSA-N 423.557 3.445 0 40 HGAB Cc1ccc([C@H](OC[C@H](O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)c2ccccc2)cc1 24095460 PROMCBIJMAITKX-BXXSPATCSA-N 405.494 3.413 0 40 HGAB COC(=O)C[C@@H](NC(=O)C[C@@H](NC(N)=O)c1ccccc1C)c1ccccc1Cl 30373100 MFGGVQALLZXAHH-QZTJIDSGSA-N 417.893 3.169 0 40 HGAB Cc1nc(-c2ccc(NC(=O)CNC(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc(=O)[nH]1 40116018 TWDNJMRWNLJGMD-UHFFFAOYSA-N 420.513 3.016 0 40 HGAB CC(=O)Nc1ccc(OCc2noc(C(=O)NCc3cccc(Cl)c3)n2)cc1 20725606 NPGZNQXLPMDOHA-UHFFFAOYSA-N 400.822 3.190 0 40 HGAB O=C(NC[C@H](c1cccs1)N1CCCC1)c1cccc(NC(=O)[C@H]2CCCO2)c1 32762786 PMJFJLCOQNEHQS-RTBURBONSA-N 413.543 3.433 0 40 HGAB CCN1CCC(N(C)C(=O)CCC(=O)Nc2cc(Cl)c(OC)cc2OC)CC1 78964409 CHBMHROKULZIJZ-UHFFFAOYSA-N 411.930 3.019 0 40 HGAB COc1cc(/C=C2\NC(=O)NC2=O)cc(Br)c1OCc1ccc(F)cc1 2960665 BRLYXEAUPKZQMA-AUWJEWJLSA-N 421.222 3.356 0 40 HGAB COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)c1ccc(COC(C)C)cc1 32901955 DJFUBOKVKUBWEF-UHFFFAOYSA-N 418.515 3.313 0 40 HGAB Cc1ccc(C)c2[nH]c(=O)c(CN(CCCO)C(=S)NCc3ccccc3)cc12 4132870 NZXQMQAOAHWXNI-UHFFFAOYSA-N 409.555 3.404 0 40 HGAB O=C(NC12CC3CC(CC(C3)C1)C2)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 4552836 ZNGZLQHBDDLPJS-UHFFFAOYSA-N 420.550 3.311 0 40 HGAB O=C(CN(C(=O)CNC(=O)c1cccs1)c1ccc(F)cc1)NC1CCCCC1 4875790 JSHMVOAEBZIGDZ-UHFFFAOYSA-N 417.506 3.099 0 40 HGAB COc1ccc(S(=O)(=O)N2CCN(c3ccccc3OC)CC2)cc1C(C)C 7495573 RPPRUFNJBRFXLJ-UHFFFAOYSA-N 404.532 3.338 0 40 HGAB COc1ccc(-c2nc3s/c(=C\c4ccc(SC)cc4)c(=O)n3n2)cc1OC 2703444 IGTXUINRUDTYIB-YVLHZVERSA-N 411.508 3.105 0 40 HGAB CCOC(=O)c1cccc(NC(=O)[C@H](C)N(c2ccc(C)c(C)c2)S(C)(=O)=O)c1 10441266 PGXRCWBAVSWYNN-INIZCTEOSA-N 418.515 3.273 0 40 HGAB FC(F)(F)c1ccn(Cc2nnc(S)n2-c2cnn(Cc3ccccc3)c2)n1 2809759 KQXKFVBSFVHUCQ-UHFFFAOYSA-N 405.409 3.064 0 40 HGAB COc1ccc(-c2cn(C[C@H]3C[C@H]4CCN3C[C@@H]4C(=O)NC3CCCCC3)nn2)cc1 8298880 UBQJNWXNFCQJRL-UZKOGDIHSA-N 423.561 3.113 0 40 HGAB biogenic,in-vitro O=C(CN1CCN(Cc2ccc3c(c2)CCO3)CC1)Nc1cccc(C(F)(F)F)c1 22804943 ONKOINHCDIGIOJ-UHFFFAOYSA-N 419.447 3.397 0 40 HGAB CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)CCCC(=O)c2cccs2)cc1 22968973 DYCVAZYLLOJIIP-UHFFFAOYSA-N 422.572 3.245 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(F)cc3F)C2)cc1C 9974524 GATHRBQNRCQFGF-AWEZNQCLSA-N 424.469 3.321 0 40 HGAB COC(=O)c1[nH]c2cc(C)ccc2c1NC(=O)CN1CCN(C2CCCCC2)CC1 20391176 UPPKYXOMLLZLLA-UHFFFAOYSA-N 412.534 3.152 0 40 HGAB CCC[C@H]1CCc2c(sc(NC(=O)[C@H]3[C@@H](C(=O)O)[C@H]4C=C[C@H]3C4)c2C(N)=O)C1 101698980 BEJPIHKVXGDYOT-LTVHRWTQSA-N 402.516 3.213 0 40 HGAB Cc1ccc(-n2c(S[C@@H](C)C(=O)NCC(F)(F)F)nnc2N2CCCC2)cc1 12554185 VORWEDBPUZBVFR-ZDUSSCGKSA-N 413.469 3.335 0 40 HGAB Cc1n[nH]c(C)c1Nc1cnn(C23C[C@@H]4CC(C[C@H](C4)C2)[C@@H]3C(=O)O)c(=O)c1Cl 101094384 OZTYZVCHJQSJBN-YVXBZOJZSA-N 417.897 3.216 0 40 HGAB O=C(CN1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)NCc1cccs1 12551748 HLXMBNDFVLUGNJ-UHFFFAOYSA-N 418.872 3.254 0 40 HGAB CC(C)[C@H](c1nnnn1Cc1ccc(F)cc1)N1CCN(c2ccc(O)cc2)CC1 57670823 UZURYGOXPGLNRO-OAQYLSRUSA-N 410.497 3.085 0 40 HGAB COc1ccc(N2C(=O)C[C@H](Nc3ccccc3Br)C2=O)c(OC)c1 101276124 NRHDCVSHYSWUHE-AWEZNQCLSA-N 405.248 3.210 0 40 HGAB CCN1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2cc(OC)ccc2OC)CC1 58148806 IMPWYGUWPXMKEU-UHFFFAOYSA-N 420.513 3.334 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N(C)Cc3ccccc3F)C2)cc1 52956939 BMBHMEDIUHEJKH-GOSISDBHSA-N 404.507 3.193 0 40 HGAB Cc1cc(C)cc(COC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)c1 10794544 OEERHRFGJUSXDW-UHFFFAOYSA-N 423.918 3.335 0 40 HGAB COc1ccccc1NC(=O)COC(=O)c1ccccc1I 3391541 MEBDOUIJNCNSHS-UHFFFAOYSA-N 411.195 3.095 0 40 HGAB COc1ccc(OC)c([C@H]2CCCN2C(=O)CN2C(=O)CCOc3ccccc32)c1 12791620 KXMNDQZPPXSYBU-GOSISDBHSA-N 410.470 3.183 0 40 HGAB O=C([C@H]1CC(=O)N(c2ccccc2Cl)C1)N1CCC(c2nnc3ccccn23)CC1 28735472 SZJUECVKVBLBJW-INIZCTEOSA-N 423.904 3.142 0 40 HGAB CN(C)S(=O)(=O)c1ccc(NC(=O)c2ccc3c(c2)C(=O)c2ccccc2-3)cc1 11166924 PDKUJXMWMLSLRP-UHFFFAOYSA-N 406.463 3.401 0 40 HGAB CCOC(=O)c1ccsc1NC(=O)CN1CCC[C@H]1c1ccc2c(c1)OCCO2 12824999 MJVMARJWLGGASO-INIZCTEOSA-N 416.499 3.472 0 40 HGAB COc1ccc(C)cc1N1C[C@@H](C(=O)Nc2ccc(N3CCCC3=O)cc2)CC1=O 12977962 LABOUHUVFGGDEA-INIZCTEOSA-N 407.470 3.122 0 40 HGAB COc1ccc(CCN2C[C@@H](C(=O)Nc3cc(F)ccc3F)CC2=O)cc1OC 13004007 WOEBWIYJLBPXCQ-AWEZNQCLSA-N 404.413 3.012 0 40 HGAB CC(C)CCNC(=O)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 13038602 SZHKXDHUZBCZRP-UHFFFAOYSA-N 406.470 3.268 0 40 HGAB CC1CCN(C(=O)COc2ccc(N(C)S(=O)(=O)c3ccc(F)cc3)cc2)CC1 8772363 IJEMHXBWIPJOLR-UHFFFAOYSA-N 420.506 3.288 0 40 HGAB COc1ccc(/C=C2/N=C(c3ccccc3)N(NC(=O)c3ccco3)C2=O)cc1OC 13895534 BWWZEUDSSBBUQE-GHRIWEEISA-N 417.421 3.272 0 40 HGAB Cc1occc1C(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 14188747 RITXXMJXVBCZHC-UHFFFAOYSA-N 403.287 3.042 0 40 HGAB COc1ccc(S(=O)(=O)NCc2ccccc2-n2ccnc2)cc1Br 20495064 LZXRILGMGBMJEP-UHFFFAOYSA-N 422.304 3.122 0 40 HGAB CC(C)C[C@H](NC(=O)N1CCn2c1nc1ccccc12)C(=O)NCCc1ccccc1 5486710 QTDYRNDPFAHIAT-FQEVSTJZSA-N 419.529 3.340 0 40 HGAB COC(=O)Cn1cc(/C=C2/N=C(O)N(Cc3ccc(C)cc3)C2=O)c2ccccc21 9089718 JAWYNHWFGUQYHD-YBFXNURJSA-N 403.438 3.420 0 40 HGAB Cc1ccc(OCC(=O)N(Cc2cccc(F)c2)[C@@H]2CCS(=O)(=O)C2)cc1C 6810988 LDZQHDYFPKIKQA-LJQANCHMSA-N 405.491 3.037 0 40 HGAB CCN(Cc1nc(-c2ccc(OC)c(OC)c2)no1)C(=O)Cc1ccccc1OC 4943707 VBYUACPZPVFURO-UHFFFAOYSA-N 411.458 3.354 0 40 HGAB C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)CSc1nnc(-c2ccccc2F)n1C 6947097 MAILLRAAGHTYHU-DOMZBBRYSA-N 405.499 3.118 0 40 HGAB CC(C)CCNC(=O)c1nnc2n1CC1(CC2)CCN(Cc2cccs2)CC1 306144342 ZCXKYIAAJFKUTG-UHFFFAOYSA-N 401.580 3.344 0 40 HGAB COc1ccc(NC(C)=O)cc1N[C@H]1CC(=O)N(Cc2ccc(Cl)cc2)C1=O 7220233 WBOQKYCRDFQLQJ-KRWDZBQOSA-N 401.850 3.047 0 40 HGAB COc1ccc(-c2nnc([C@H](C)OC(=O)CCS(=O)(=O)c3ccccc3)o2)cc1 7317820 OQYRQKNUXBWPJJ-AWEZNQCLSA-N 416.455 3.213 0 40 HGAB COC(=O)c1c(C)[nH]c(C(=O)COC(=O)C(O)(c2ccccc2)c2ccccc2)c1C 9180630 LLRQUJUCXXUJJQ-UHFFFAOYSA-N 421.449 3.080 0 40 HGAB COC[C@@H](C)NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(SC)cc1 408630004 MAZFBOLPBBTNQH-MRXNPFEDSA-N 422.572 3.063 0 40 HGAB COc1cccc2cc(-c3ccc(OCC(=O)NCC4CCOCC4)cc3)c(=O)oc12 72325044 QQXLMZCBWQPAOT-UHFFFAOYSA-N 423.465 3.390 0 40 HGAB biogenic CCOc1ccc(NS(=O)(=O)c2ccc(C(=O)O)cc2Br)cc1F 72301306 QPDKRPVIMPIIFI-UHFFFAOYSA-N 418.240 3.486 0 40 HGAB O=S(=O)(Nc1cc(-n2nnnc2C2CC2)ccc1F)c1ccc2c(c1)CCCC2 72301053 ALDBIPAWAIXYIE-UHFFFAOYSA-N 413.478 3.358 0 40 HGAB CN(c1ccccc1C(=O)NCCSCc1ccc(Cl)cc1)S(C)(=O)=O 409347660 QUUXHACILUMXSC-UHFFFAOYSA-N 412.964 3.399 0 40 HGAB O=C(NCc1ccccc1N1CCOCC1)[C@@H]1CC(c2ccc(Cl)s2)=NO1 95385716 FXTHAHWURJYEPG-INIZCTEOSA-N 405.907 3.048 0 40 HGAB Cc1c(Cl)cccc1NC(=O)[C@H]1CC(=O)Nc2nc(N3CCCCC3)nc(N)c21 20635695 AYJSEEPUXCGEBR-LBPRGKRZSA-N 414.897 3.075 0 40 HGAB O=C(NCCc1ccn(-c2ccc(F)cc2)n1)c1ccc(-c2nnc(S)o2)cc1 95939801 MTAOKDUMOAFAPT-UHFFFAOYSA-N 409.446 3.323 0 40 HGAB Cc1ccccc1C(=O)NCCC(=O)N1CCN(Cc2c(F)cccc2Cl)CC1 89689121 ZXMQWMPSQJMSBC-UHFFFAOYSA-N 417.912 3.252 0 40 HGAB CN1Cc2nnc(-c3cccs3)n2C2(CCN(Cc3ccc4c(c3)OCO4)CC2)C1 306124170 BIEZRSAVDWXYBJ-UHFFFAOYSA-N 423.542 3.172 0 40 HGAB O=C(c1ccc(CN2CCCCC2)cc1)N1CCC[C@H](c2ccnc3ncnn23)C1 72334865 LPIVCUXDKPMBIB-FQEVSTJZSA-N 404.518 3.130 0 40 HGAB COc1ccc(N(C)C(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 222890054 VWVDCZQKNJTIMY-UHFFFAOYSA-N 416.543 3.465 0 40 HGAB Cc1ccc(Cl)cc1N(CCCC(=O)NCCOc1ccccc1)S(C)(=O)=O 224049102 WDBOMJOSFJUQSB-UHFFFAOYSA-N 424.950 3.390 0 40 HGAB CC[C@H](NC(=O)[C@H]1CN(S(C)(=O)=O)c2ccccc2O1)c1ccc(C)c(C)c1 44856573 BIBQRUPGRXEGLL-FXAWDEMLSA-N 402.516 3.098 0 40 HGAB COc1ccc(S(=O)(=O)N(C)Cc2ccc(F)cc2)cc1C(=O)N1CCCCC1 223873352 XXGVYUQLKIORAY-UHFFFAOYSA-N 420.506 3.281 0 40 HGAB COc1cc(C(=O)NCC(C)C)c(N(C)S(=O)(=O)c2ccc(C)cc2)cc1OC 223391348 PDSMWKHIXAXZJJ-UHFFFAOYSA-N 420.531 3.223 0 40 HGAB COc1ccc(NC(=O)C(C)(C)NS(=O)(=O)c2ccc(Cl)cc2)cc1OC 225958196 MIZOQQOTTUCXJY-UHFFFAOYSA-N 412.895 3.053 0 40 HGAB COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(C)cn1 223680161 DRYYFWNSUABZKF-LEWJYISDSA-N 421.526 3.111 0 40 HGAB COc1nn(C)c2nc(C)c(CCC(=O)NCCOc3c(C)cccc3C)c(C)c12 40113761 IZKQQPVCTMMZBI-UHFFFAOYSA-N 410.518 3.338 0 40 HGAB COc1ccc(S(=O)(=O)N[C@H](C)c2cc(C)ccc2C)cc1N1C(=O)CCC1=O 225806398 FNGLJGIPDCOHJY-OAHLLOKOSA-N 416.499 3.005 0 40 HGAB O=C(O)c1ccccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)o1 223593089 RHHOOODGKJRMNF-RTBURBONSA-N 409.467 3.005 0 40 HGAB CCN1CC[C@]2(CN(CC(C)C)CC23CCN(C(=O)c2ccc(F)cc2)CC3)C1=O 96262768 HKNATMNYZVSHRG-DEOSSOPVSA-N 415.553 3.258 0 40 HGAB Cc1cc(Br)ccc1NC(=O)CC[C@H]1NC(=O)c2ccccc2NC1=O 96344634 AMXOGZBDPXPMAU-MRXNPFEDSA-N 416.275 3.227 0 40 HGAB O=C1C(=O)N(CN2CCN(Cc3c(Cl)cccc3Cl)CC2)c2ccccc21 96300417 AECIRZLDBLNIMH-UHFFFAOYSA-N 404.297 3.298 0 40 HGAB Cc1cccc(-c2cnc(N(C)C)nc2[C@@H]2CCCN(C(=O)Cn3cccn3)C2)c1C 257297841 RIYVNRQPBYFPAK-LJQANCHMSA-N 418.545 3.429 0 40 HGAB CCn1ccc(C(=O)N2CCC[C@@H](CC(=O)N(C)Cc3ccccc3Cl)C2)n1 257246895 IWJHNXWBPATZRT-INIZCTEOSA-N 402.926 3.457 0 40 HGAB C[C@H](C(=O)Nc1ncc(Cc2ccccc2)s1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 253376793 UZNDGXHPKYXABD-QLKQHDGRSA-N 409.511 3.092 0 40 HGAB Cc1ccc(C)c(N([C@H](C)C(=O)NCCOc2cccc(C)c2C)S(C)(=O)=O)c1 260912035 AGQIRTNKKIEHAA-LJQANCHMSA-N 418.559 3.270 0 40 HGAB COc1ccc(C)cc1N(CCCC(=O)NC[C@H](C)c1ccccc1)S(C)(=O)=O 260842712 SBMQCBPOACMRJI-SFHVURJKSA-N 418.559 3.470 0 40 HGAB CCN1CCN(c2ccccc2NC(=O)N2CCC(c3cnn(CC)c3)CC2)CC1 606473679 MTIHKDZJCVPYJX-UHFFFAOYSA-N 410.566 3.456 0 40 HGAB COc1cccc([C@@H](CNS(=O)(=O)c2ccccc2Br)OC)c1 96390352 OAJZFSCWULJGGN-OAHLLOKOSA-N 400.294 3.124 0 40 HGAB Cc1cc(Nc2nc(C)cs2)nc([C@H]2CCCCN2C(=O)/C=C/CN(C)C)n1 585292357 LCCHANPHASQVKZ-MNDMWVCDSA-N 400.552 3.465 0 40 HGAB COc1ccc(/C=C/C(=O)N2CCOC[C@@H]2C[C@@H](O)c2cccs2)cc1OC 79057247 VBZFHVYJVDAWDK-AAAWEMBMSA-N 403.500 3.130 0 40 HGAB COC(=O)c1ccc2c(=O)n(CCC(=O)N[C@H](C)c3ccccc3)c(=S)[nH]c2c1 12415890 RHTTVYYUJZYLJH-CYBMUJFWSA-N 411.483 3.113 0 40 HGAB C[C@@]1(CCc2ccc(OC(F)F)cc2)NC(=O)N(Cc2cn3ccccc3n2)C1=O 13059639 DAIOVZFXSGTTNF-NRFANRHFSA-N 414.412 3.379 0 40 HGAB COc1ccc(OC[C@H](C)NS(=O)(=O)c2ccc(Br)cc2)cc1 13671827 IUVQMSOBADXIJJ-LBPRGKRZSA-N 400.294 3.204 0 40 HGAB OCc1ccc(CN2C[C@H](O)C[C@H]2c2nc(-c3ccc(C(F)(F)F)cc3)no2)o1 15674154 CAPBNTVYDZYAPY-CJNGLKHVSA-N 409.364 3.149 0 40 HGAB biogenic,in-vitro Cc1csc(NS(=O)(=O)c2ccc(NC(=O)CN3CCCCCC3)cc2)n1 16740492 OQKLHDQURBUDQY-UHFFFAOYSA-N 408.549 3.067 0 40 HGAB CN(C)S(=O)(=O)c1cccc(C(=O)NCCOc2ccc(C(C)(C)C)cc2)c1 18151197 ZMXSYPVHRITPBR-UHFFFAOYSA-N 404.532 3.043 0 40 HGAB C[C@@H]1C[C@@H]1C(=O)N1CCC(c2cc3nc4c(c(O)n3n2)CN(C2CCCC2)CC4)CC1 19462882 YQJGKCSOWGUEQK-QAPCUYQASA-N 423.561 3.098 0 40 HGAB COc1cc2sc(NC(=O)[C@H]3CC(=O)N(Cc4ccncc4)C3)nc2cc1Cl 19550656 OCCNWSPCHJXQAE-LBPRGKRZSA-N 416.890 3.341 0 40 HGAB COc1ccc(CN2CCC[C@@H]([C@@H]3C[C@H](C(F)F)n4ncnc4N3)C2)c(OC)c1 19552269 BQIGBAVPBIFVPF-XOKHGSTOSA-N 407.465 3.198 0 40 HGAB Cc1cc(C(F)(F)F)n2nc([C@H]3CCN(C(=O)CCn4nc(C)cc4C)C3)cc2n1 19573817 GAOBAHMHSGMECV-HNNXBMFYSA-N 420.439 3.276 0 40 HGAB CCc1nc2ccccc2n1CCC(=O)Nc1ccc(N2CCCS2(=O)=O)cc1 19665819 ARSBBZVJWPCHPN-UHFFFAOYSA-N 412.515 3.167 0 40 HGAB CNCc1cc(N(C)C)nc([C@@H]2CCCN(C(=O)CCc3ccc(Cl)cc3)C2)n1 19709621 DYNPEJWDHCLYES-QGZVFWFLSA-N 415.969 3.254 0 40 HGAB CC(C)(C)c1ccc(NC(=O)c2c3c(nn2[C@H]2CCS(=O)(=O)C2)CCC3)cc1 16850878 TYLORSVXNFUCIM-INIZCTEOSA-N 401.532 3.281 0 40 HGAB CCOC(=O)c1ccc(NC(=O)CSc2nnnn2-c2c(C)cccc2C)cc1 679093 JUTWRCFURHBILJ-UHFFFAOYSA-N 411.487 3.187 0 40 HGAB CCCCNC(=O)n1c(=O)oc2cc(S(=O)(=O)Nc3cccc(C)c3)ccc21 1815889 WPGLLGFUNMWMML-UHFFFAOYSA-N 403.460 3.062 0 40 HGAB COc1ccc(C)cc1NC(=O)C(=O)c1cn(CC(=O)N2CCCC2)c2ccccc12 4272209 FVWNFGDEQLTRKG-UHFFFAOYSA-N 419.481 3.402 0 40 HGAB COc1ccccc1-n1ccnc(SCC(=O)Nc2ccc(F)cc2F)c1=O 4853160 OWCZWZIVSDLREG-UHFFFAOYSA-N 403.410 3.250 0 40 HGAB O=C(Nc1nc2ccc(F)cc2s1)[C@@H]1CCCN1S(=O)(=O)c1cccs1 5298751 HKFGOZQXXUCMPM-LBPRGKRZSA-N 411.505 3.289 0 40 HGAB Cn1cc(C(=O)Nc2ccccc2F)c2[nH]c(=O)n(-c3ccc(Cl)cc3)c(=O)c21 9819897 NPCSLNZPBVXARH-UHFFFAOYSA-N 412.808 3.062 0 40 HGAB Cc1cc(C)cc(C(=O)NCCOc2ccc3nnc(-c4ccc(F)cc4)n3n2)c1 13524615 SXBZYQSUEAXPHB-UHFFFAOYSA-N 405.433 3.356 0 40 HGAB CC(C)[C@H](NC(=O)Nc1ccccc1)C(=O)Nc1ccc(-c2nnnn2C2CC2)cc1 40051919 ZTLJJNHNBDWAOE-IBGZPJMESA-N 419.489 3.460 0 40 HGAB O=C(COC(=O)c1ccc(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1)c1ccc(F)cc1 101226744 ZJGXHDUJFOGEAC-SNHGZMDHSA-N 421.424 3.401 0 40 HGAB O=C(CN1CCc2sccc2[C@H]1c1cccs1)N1CCC2(CC1)OCCO2 52073063 RRSRXKNRBATNEH-IBGZPJMESA-N 404.557 3.123 0 40 HGAB CCOc1cc(Nc2nc(=O)[nH]nc2C)c(OCC)cc1NC(=O)c1ccccc1 11990977 SCZAHMWMBFURHQ-UHFFFAOYSA-N 409.446 3.267 0 40 HGAB COc1ccc(CCNC(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1 2631999 DRAMATQMLRVSHU-UHFFFAOYSA-N 416.543 3.232 0 40 HGAB Cc1cc(=O)oc2cc(OCC(=O)OCC(=O)N3CCCc4ccccc43)ccc12 2620251 RBIVJBZZNCRANW-UHFFFAOYSA-N 407.422 3.003 0 40 HGAB CN(Cc1ccc(Br)cc1)C(=O)CN1C(=O)CC2(CCCCC2)C1=O 21626058 FWBZLFRQTPVWFN-UHFFFAOYSA-N 407.308 3.117 0 40 HGAB COc1ccc(NCc2nnc(SCC(=O)Nc3ccccc3OC)n2C)cc1 4125473 ZIEAATOGMXOQSB-UHFFFAOYSA-N 413.503 3.175 0 40 HGAB O=C(CCN1C(=O)S/C(=C\c2ccco2)C1=O)Nc1ccc2oc(=O)ccc2c1 9429778 PDOQCQQLLIHRRY-WJDWOHSUSA-N 410.407 3.451 0 40 HGAB COc1ccc(C)cc1CN1CCN(C(=O)CCCn2c(=O)oc3ccccc32)CC1 24291071 OUCDVWTYABRFDZ-UHFFFAOYSA-N 423.513 3.036 0 40 HGAB CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)CN2c3ccccc3CC[C@H]2C)cc1 37462327 PASQQSLKTYUSLS-QGZVFWFLSA-N 415.559 3.495 0 40 HGAB C[C@H](C(=O)NCc1ccc(F)cc1)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 27543630 NJFUFISCOLQYIF-OAHLLOKOSA-N 424.442 3.457 0 40 HGAB CCN1CCN(c2ccc(N[C@@H](C)C(=O)NC(=O)Nc3ccccc3)c(C)c2)CC1 56170346 FCRDOEGBUFIGIT-SFHVURJKSA-N 409.534 3.286 0 40 HGAB COc1ccc([C@H](CNC(=O)c2cc(F)c(F)c(F)c2F)N2CCOCC2)cc1 25764386 BMVPAPJWTAWPRB-INIZCTEOSA-N 412.383 3.055 0 40 HGAB O=C(Nc1ccccc1C(F)(F)F)c1cc(C2CC2)n([C@H]2CCS(=O)(=O)C2)n1 21000037 ZJSZGEIZLRTNAO-LBPRGKRZSA-N 413.421 3.391 0 40 HGAB CC(C)c1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCCCC4)nc(N)c32)cc1 20673984 CEUYTDTZFBAICT-INIZCTEOSA-N 408.506 3.237 0 40 HGAB COc1ccc(CC(=O)Nc2cc3c(cc2N2CCCCC2)n(C)c(=O)n3C)cc1 20178403 YIGRYTSRGGWOCJ-UHFFFAOYSA-N 408.502 3.057 0 40 HGAB Cc1cccc(CS(=O)(=O)N2[C@H]3CC[C@H]2CC(O)(c2ccc4c(c2)OCO4)C3)c1 100773934 IZMMULSPLCJTCT-OALUTQOASA-N 415.511 3.068 0 40 HGAB CCn1c(SCC(=O)NCCc2ccccc2)nnc1-c1ccc(N(C)C)cc1 10163850 ICPWVHZMCSSSOY-UHFFFAOYSA-N 409.559 3.482 0 40 HGAB O=C(COC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1)c1ccccc1 3228456 NZNUBPXWAFTEAR-UHFFFAOYSA-N 401.484 3.291 0 40 HGAB COc1cccc(-c2nnc(O)c3c2[C@H](c2ccc(Cl)cc2)n2nnnc2N3)c1 10296812 LFDQYCTTXPBVEA-KRWDZBQOSA-N 407.821 3.192 0 40 HGAB CCOC(=O)/C=C/c1ccc(NCC(=O)N2c3ccccc3NC(=O)C2(C)C)cc1 58227103 RQTATFSRHQOCAH-SDNWHVSQSA-N 407.470 3.439 0 40 HGAB Cc1cc(NC(=O)[C@@H](C)Sc2nnc(COc3ccc(Cl)cc3)n2C)no1 10619741 CTBOSVMPOWIUNE-LLVKDONJSA-N 407.883 3.463 0 40 HGAB CCN(CC(=O)Nc1ccc(OC)cc1)CC(=O)Nc1cccc(Br)c1 3373704 HBFKJNYLJTXNOG-UHFFFAOYSA-N 420.307 3.357 0 40 HGAB CC[C@H](C)NC(=O)c1c(N)n(-c2ccc3c(c2)OCO3)c2nc3ccccc3nc12 2382385 QKBXINTZHXKTBU-LBPRGKRZSA-N 403.442 3.413 0 40 HGAB Cc1cccc(NC(=O)CSc2nnc(CCNC(=O)OC(C)(C)C)o2)c1C 2391896 FNWMVKOYVKGAON-UHFFFAOYSA-N 406.508 3.484 0 40 HGAB COc1cccc(C(=O)N2CCN([C@H](CCC(=O)O)c3ccc(F)cc3)CC2)c1 408607344 LDKXSLLTGGFQHG-HXUWFJFHSA-N 400.450 3.198 0 40 HGAB C[C@@H](Oc1ccc(Br)cc1)C(=O)N[C@H]1CCS(=O)(=O)c2ccccc21 11003808 UMIJRGPYTBRYGN-WBMJQRKESA-N 424.316 3.251 0 40 HGAB CCOC(=O)c1cc2cc(NC(=O)NCC(C)(C)N3CCOCC3)ccc2s1 48356661 BZPSPQLXSLSAIB-UHFFFAOYSA-N 405.520 3.310 0 40 HGAB CCCNS(=O)(=O)c1ccc(OCC(=O)N[C@@H]2CCCc3ccccc32)c(C)c1 20022182 YFSNCTPWANJNGB-HXUWFJFHSA-N 416.543 3.256 0 40 HGAB Cc1ccc(NC(=O)Cn2cnc3nc(N4CCCCC4)sc3c2=O)c(Cl)c1 45970229 CDQIKSFKFCZJFX-UHFFFAOYSA-N 417.922 3.444 0 40 HGAB O=C(CCCC(=O)N1CCC(NS(=O)(=O)c2ccccc2)CC1)c1cccs1 12883006 PKDWBXDDMXAXIM-UHFFFAOYSA-N 420.556 3.071 0 40 HGAB CN(C)[C@H](CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccs1)c1ccco1 3417353 IWNJTXQTRJDTOB-ZWKOTPCHSA-N 411.527 3.101 0 40 HGAB CC1CCC2(CC1)NC(=O)N(CC(=O)N1CC[C@H](C)Sc3ccccc31)C2=O 4287690 XSGDBMVUSLOGQI-DBWCEAHUSA-N 401.532 3.405 0 40 HGAB CC[C@H](C(=O)Nc1cc(Cl)c(OC)cc1OC)n1nnc2ccccc2c1=O 5244557 JBOGHQGXDPCTLM-OAHLLOKOSA-N 402.838 3.052 0 40 HGAB COCCCN1C(=O)c2n[nH]c(-c3ccccc3O)c2[C@@H]1c1ccc(O)c(OC)c1 5343739 IXUMDSXAQBBWHO-NRFANRHFSA-N 409.442 3.078 0 40 HGAB CCOC(=O)c1ccc(NC(=O)Cn2cnc3sc4c(c3c2=O)CCCC4)cc1 5318455 WDVKLLKSELZQCR-UHFFFAOYSA-N 411.483 3.152 0 40 HGAB COc1ccc(NC(=O)CSc2n[nH]c(=O)n2Cc2ccccc2)cc1Cl 6583400 PJAJTXSHJOFYIX-UHFFFAOYSA-N 404.879 3.013 0 40 HGAB COc1ccc(OC)c([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCO)c1 5552192 FUFOCEOTFMHYBZ-SFHVURJKSA-N 415.829 3.001 0 40 HGAB CCCn1c(=O)c2ccccc2n2c(SCC(=O)Nc3cccc(C)c3)nnc12 6609609 PRXPCIYOXGFWST-UHFFFAOYSA-N 407.499 3.493 0 40 HGAB COc1ccc(-c2noc(CN(C)S(=O)(=O)c3c(C)cc(C)cc3C)n2)cc1 6758998 WVLZDLSPSUVJLG-UHFFFAOYSA-N 401.488 3.491 0 40 HGAB Cc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2N2C[C@@H](C)O[C@H](C)C2)cc1 4865487 LYBPKKPDRHMTSV-HZPDHXFCSA-N 412.515 3.353 0 40 HGAB O=C(NCc1ccc(F)cc1)C(=O)Nc1ccccc1C(=O)NCc1ccccc1 408709881 YTIGFULGHFUTHH-UHFFFAOYSA-N 405.429 3.011 0 40 HGAB Cc1noc(NS(=O)(=O)c2ccc(NC(=O)C(Cl)(Cl)Cl)cc2)c1C 15890432 DCPQGYNXPLCJIZ-UHFFFAOYSA-N 412.682 3.401 0 40 HGAB O=C(c1c(NS(=O)(=O)c2ccccc2F)sc2c1CCCC2)N1CCOCC1 16095140 QBKMLIWFRXHSGP-UHFFFAOYSA-N 424.519 3.039 0 40 HGAB CCCCc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)cc1 7718172 JMDRXMDHBRDUPN-UHFFFAOYSA-N 420.506 3.442 0 40 HGAB CCOc1ccccc1NC(=O)Cn1nnc(C(=O)Nc2ccc(C)c(F)c2)c1C 71327289 JLUUAIBZZXCMPJ-UHFFFAOYSA-N 411.437 3.324 0 40 HGAB COc1ccc(NC(=O)Cc2ccc(C)cc2)cc1S(=O)(=O)N1CCCCC1 8156781 XOFXKRIJGPOHMB-UHFFFAOYSA-N 402.516 3.359 0 40 HGAB COc1cc(CNC(=O)c2cccc(-n3cnnn3)c2)ccc1OCc1ccccc1 8231380 AIKIQFGFHBRGAT-UHFFFAOYSA-N 415.453 3.180 0 40 HGAB CCOc1ccc([C@@H]2CC(c3cccc(NS(C)(=O)=O)c3)=NN2C(C)=O)cc1 96012501 SGHJOFCWRPMISY-FQEVSTJZSA-N 401.488 3.154 0 40 HGAB C[C@@H]1Nc2c(C(N)=O)cnn2[C@@H](c2ccc(Cl)cc2)[C@H]1C(=O)Nc1ccccc1 72332721 DQRUVKHRDSHBAA-IGNZVWTISA-N 409.877 3.294 0 40 HGAB Cc1cc(S(=O)(=O)N2CCSc3c2c(C)nn3C)ccc1Br 95405644 OCVMRVKYZUDWTK-UHFFFAOYSA-N 402.339 3.100 0 40 HGAB CCCNS(=O)(=O)c1ccc(OCC(=O)N[C@H](C)c2ccc(F)cc2)c(C)c1 22537310 KGUBNCQLVFCYQW-OAHLLOKOSA-N 408.495 3.079 0 40 HGAB Cc1ccc(-c2cnc(CCC(=O)Nc3cc(S(N)(=O)=O)sc3C)o2)cc1 95945615 QIMZJZZXZCMURH-UHFFFAOYSA-N 405.501 3.239 0 40 HGAB O=C(CNC(=O)c1cc(-c2ccccc2)on1)Nc1ccc(-n2cccn2)c(F)c1 89851116 KYAUHYWXQKWFGX-UHFFFAOYSA-N 405.389 3.035 0 40 HGAB CCOc1cc(CNC[C@@H](O)c2ccccc2)ccc1OCC(=O)NC(C)(C)C 22075872 YRCQFIOBBCHSLW-LJQANCHMSA-N 400.519 3.202 0 40 HGAB C[C@@H]1C=CC[C@@H]2C(=O)N(c3ccc(C(=O)Nc4ccc(C(=O)O)cc4)cc3)C(=O)[C@H]21 408667668 CDNDWQIMLKPNLL-VMDGZTHMSA-N 404.422 3.339 0 40 HGAB C[C@H]1c2cc3c(cc2C2(CCCC2)CN1C(=O)c1ccc2nc(O)[nH]c2n1)OCCO3 555553309 SVFBAAUODOHUEJ-ZDUSSCGKSA-N 420.469 3.464 0 40 HGAB COc1ccc(Cl)cc1N(CC(=O)N(C)Cc1ccc(C)cc1)S(C)(=O)=O 30755250 HKKDIALENCAHSB-UHFFFAOYSA-N 410.923 3.082 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)[C@H](C)Oc2cccc(C)c2C)c1 33227250 YQLMIRAQUPNGIF-INIZCTEOSA-N 420.531 3.446 0 40 HGAB COC(=O)C[C@H](c1ccco1)c1oc(CN2CCc3ccccc3C2)cc(=O)c1O 524731862 MVEBLBOJZXTKFF-GOSISDBHSA-N 409.438 3.192 0 40 HGAB biogenic CC1(C)CCCN(C(=O)[C@@H]2CCCN(S(=O)(=O)CCCc3ccccc3)C2)C1 38756042 XOQTZUXDDKOILQ-HXUWFJFHSA-N 406.592 3.310 0 40 HGAB FC(F)Sc1ccc(NC(=S)NC[C@@H]([C@H]2CCOC2)N2CCOCC2)cc1 40050379 GYHBUUZKNHNCTJ-BBRMVZONSA-N 417.547 3.025 0 40 HGAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)N(C)c2ccc(F)cc2)cc1C 226065528 STWWBJSLAJDYKI-UHFFFAOYSA-N 408.495 3.206 0 40 HGAB COc1ccc(C(=O)N2C[C@@H](C(=O)NCCc3ccccc3)Oc3ccccc32)cc1 222947962 XCIRCEGJNSZXBY-QHCPKHFHSA-N 416.477 3.462 0 40 HGAB COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccccn1 223711878 JTLPPRIZHQUELE-NHCUHLMSSA-N 421.526 3.193 0 40 HGAB Cn1nc([C@@H]2CCCN(C(=O)c3ccc4ncsc4c3)C2)n(-c2ccccc2)c1=O 77100551 WHSKYVZDDYJLEH-MRXNPFEDSA-N 419.510 3.201 0 40 HGAB C[C@@H]1CCCN(c2cc(N3CCCC3)nc(NC(=S)NCc3ccco3)n2)C1 225911280 KTOBCOLAALLOEB-OAHLLOKOSA-N 400.552 3.393 0 40 HGAB CCc1ccc(NC(=O)[C@@H](C)N(c2cc(OC)ccc2OC)S(C)(=O)=O)cc1 220209416 DCBIKUICCDDFRI-CQSZACIVSA-N 406.504 3.059 0 40 HGAB C[C@H]1Cc2ccccc2N1C(=O)CCCN(c1ccc(F)c(F)c1)S(C)(=O)=O 222803023 RFXJSNWSJLHISP-AWEZNQCLSA-N 408.470 3.489 0 40 HGAB COc1cccc(CCCNC(=O)CCCN(c2ccccc2F)S(C)(=O)=O)c1 222658548 FTXVVYWZODHTHX-UHFFFAOYSA-N 422.522 3.130 0 40 HGAB COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N(C)Cc3ccco3)cc2)cc1 224493731 LHNQYEIDXIMNJC-UHFFFAOYSA-N 414.483 3.386 0 40 HGAB COc1ccc(N(C)C(=O)CCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 222887915 LABSMZQIDJGCEP-UHFFFAOYSA-N 402.516 3.075 0 40 HGAB Cc1cccc(CC(=O)N2CCC[C@H]2CN2Cc3ccccc3OC[C@H]2CN(C)C)c1 248102754 IBKPXISGUJYBEX-BJKOFHAPSA-N 421.585 3.353 0 40 HGAB COCCOc1ccccc1N1CCN(C(=O)[C@H](C)OCCc2ccccc2)CC1 622434656 NCVSFNHKKFYGOF-FQEVSTJZSA-N 412.530 3.008 0 40 HGAB CN(C)C(=O)Cn1ccc(NC(=O)c2cc(-c3ccccc3)n(-c3ccccc3)n2)n1 625054802 JOYJJDJCOROXJD-UHFFFAOYSA-N 414.469 3.076 0 40 HGAB Cc1cc(C)cc(NC(=O)CN2N=N[C@@H]3C(=O)N(c4ccc(C(C)C)cc4)C(=O)[C@@H]32)c1 96286231 NPFMXYGODPVCEH-LEWJYISDSA-N 419.485 3.359 0 40 HGAB C[C@]1(c2ccccc2C(F)(F)F)NC(=O)N(Cc2cnn(-c3ccccc3)n2)C1=O 48273963 JDTKGRMCXBRCOX-LJQANCHMSA-N 415.375 3.253 0 40 HGAB CCCC(=O)N1CCC[C@H](C(=O)N2CCC(N3CCc4cc(F)ccc43)CC2)C1 513324107 XFROBFHDQLXWEK-SFHVURJKSA-N 401.526 3.218 0 40 HGAB COc1ccc(Cl)cc1CSc1nnc(N2CCOCC2)n1C[C@@H]1CCCO1 11765324 ZFHOZJFQXGOUGV-INIZCTEOSA-N 424.954 3.248 0 40 HGAB CCc1ccccc1N1C[C@@H](C(=O)O[C@H](C)C(=O)N(C)C2CCCCC2)CC1=O 12095882 MYRVXSXDHQOSBW-AEFFLSMTSA-N 400.519 3.325 0 40 HGAB C[C@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)c1ccc(S(C)(=O)=O)cc1 15358957 MUAYYCVKGWCCJM-JTQLQIEISA-N 408.328 3.436 0 40 HGAB COc1ccc(OC)c([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2ccc(F)cc2)c1 16994731 WZRWLQWNBZLEMU-SFHVURJKSA-N 401.463 3.274 0 40 HGAB Cc1nn(C)cc1C(=O)N1CCC(c2nc(NC(C)C)ncc2-c2ccccn2)CC1 19583462 KOMSAZIIIQFABQ-UHFFFAOYSA-N 419.533 3.421 0 40 HGAB Nc1ncnc2nc([C@@H]3CCCN3C(=O)COc3ccccc3)cc(C(F)(F)F)c12 19743238 UREPUWKYVSSSAK-HNNXBMFYSA-N 417.391 3.368 0 40 HGAB Cc1nc([C@@H]2CCCN(C(=O)C(C)C)C2)nc2c1CC(=O)N2Cc1ccc(F)cc1 19744535 INIJIMMNNPTFBA-QGZVFWFLSA-N 410.493 3.375 0 40 HGAB CC[C@@H](c1ccc(F)cc1)N(C)C(=O)Cn1cccc(C(=O)NC2CCCC2)c1=O 19746436 YMYUKGRQRPIUHD-FQEVSTJZSA-N 413.493 3.270 0 40 HGAB CN1CCCCN(C(=O)Cc2cccnc2)CCOc2ccc(Cl)cc2C1=O 643556630 NMGVZEOVCRDPNF-UHFFFAOYSA-N 401.894 3.051 0 40 HGAB CCn1cc(S(=O)(=O)N2CCCCC[C@H]2c2cc(C(F)(F)F)nn2C)c(C)n1 12159913 FMGLEQCQNWXCAJ-ZDUSSCGKSA-N 419.473 3.270 0 40 HGAB CCC(CC)NC(=O)[C@@H]1C[C@@]2(CO1)CN(Cc1cccc(C(F)(F)F)c1)CCO2 2056225062 AGUALROGFFEIFR-ICSRJNTNSA-N 414.468 3.370 0 40 HGAB CS(=O)(=O)c1ccc(CCC(=O)N2[C@H]3CC[C@H]2CC(Oc2ccncc2)C3)cc1 253473539 VUTWAIKJEYAGCY-ROUUACIJSA-N 414.527 3.019 0 40 HGAB Cc1nnc2ccc(N3CC(N(C)C(=O)CCc4c(Cl)cccc4Cl)C3)nn12 1565523460 NOJLPLHFCMLMQL-UHFFFAOYSA-N 419.316 3.019 0 40 HGAB COc1ccccc1NC(=O)CSc1ncnc2c1nnn2-c1ccc(F)cc1 4166679 LOQAETWLIKHMQI-UHFFFAOYSA-N 410.434 3.089 0 40 HGAB CCOC(=O)N1CCc2c(sc(NC(=O)c3ccc(F)cc3)c2C(=O)OC)C1 4280331 BPAZYNFLMDIREH-UHFFFAOYSA-N 406.435 3.441 0 40 HGAB COc1cccc(CCNC(=O)c2cc3cccnc3n(Cc3ccccc3)c2=O)c1 5304505 BFNMLGMOHWDGAW-UHFFFAOYSA-N 413.477 3.426 0 40 HGAB biogenic O=C(NCC1CCN(C(=O)Oc2ccccc2)CC1)C(=O)Nc1ccccc1Cl 43941919 APZJESYJYVEXTD-UHFFFAOYSA-N 415.877 3.306 0 40 HGAB CC(C)(C)c1ccc(=O)n(CC2CCN(c3ncc(Br)cn3)CC2)n1 585499920 RCOJWIANOMLPGO-UHFFFAOYSA-N 406.328 3.010 0 40 HGAB CN1CCN(C(=O)COCc2nc3ccccc3s2)c2nc3ccccc3nc21 40040595 GUESCBUIRQOMDA-UHFFFAOYSA-N 405.483 3.239 0 40 HGAB Cc1ccc2c(c1)c(=O)n(C)c1nnc(CSc3nccn3-c3ccccc3)n21 40127888 CMTSFBSGFZLPLD-UHFFFAOYSA-N 402.483 3.368 0 40 HGAB CCc1ccc(N2C(=O)[C@@H]3N=NN(Cc4nc(-c5ccc(C)cc5)no4)[C@H]3C2=O)cc1 101274992 HXQROEYSWXQPRW-RTBURBONSA-N 416.441 3.101 0 40 HGAB COc1ccc(OC)c(NC(=O)CCC(=O)N2CCc3[nH]c4ccccc4c3C2)c1 20762346 ZSFWUEIHWWHYFL-UHFFFAOYSA-N 407.470 3.489 0 40 HGAB biogenic COc1ccc(C(=O)N[C@@H](c2ccc(OC)c(OC)c2)n2nnc3ccccc32)cc1 885437 ODTOMHBKJWPQQV-JOCHJYFZSA-N 418.453 3.434 0 40 HGAB CCOC(=O)c1c(NC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)sc(C)c1C 1940311 GBHLWCVZNDIVNH-LLVKDONJSA-N 400.456 3.165 0 40 HGAB CCOC(Cn1cnc2c(sc3nc4c(cc32)COC(C)(C)C4)c1=O)OCC 2333886 XIIDQBCZHGPHLX-UHFFFAOYSA-N 403.504 3.257 0 40 HGAB Cn1ncc2c1ncn1nc(-c3cnn4c3N[C@H](c3ccccc3)C[C@H]4C(F)F)nc21 2802385 QQDBQJICHLZLLF-GJZGRUSLSA-N 421.415 3.238 0 40 HGAB C[C@@H](OC(=O)c1ccc(-c2ccccc2)cc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 3521028 ZGLJJJKXROHNAW-OAHLLOKOSA-N 424.478 3.185 0 40 HGAB COc1cc(C(=O)O[C@@H](C)C(=O)NC2CCCC2)ccc1OCc1c(C)noc1C 3523307 RHHVJSLKLNHNBV-HNNXBMFYSA-N 416.474 3.483 0 40 HGAB O=C(COC(=O)c1ccc2ncsc2c1)NC(=O)NC12CC3CC(CC(C3)C1)C2 4546141 ONZMVOYIWBMDHY-UHFFFAOYSA-N 413.499 3.248 0 40 HGAB Cc1ccc(-n2c(SCC(N)=O)nc3sc4c(c3c2=O)CC(C)(C)OC4)cc1 4785746 BHTRGPOUYGKARQ-UHFFFAOYSA-N 415.540 3.184 0 40 HGAB CCC(C)(C)c1nnc(NC(=O)[C@H]2CC(=O)N(CCc3ccc(F)cc3)C2)s1 4976205 PCASUFFDYSIBES-AWEZNQCLSA-N 404.511 3.395 0 40 HGAB COCCn1c(SCC(=O)Nc2cccc(SC)c2)nc2ccccc2c1=O 6035219 VVNOWSVIHSYJSN-UHFFFAOYSA-N 415.540 3.496 0 40 HGAB CC(=O)[C@]1(OS(=O)(=O)O)CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 6186508 FOZOMGIBIVGVDR-WMKCGOMXSA-N 412.548 3.457 0 40 HGAB O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cccnc1)c1cccs1 6346969 ULIVDFWCORHSAT-IBGZPJMESA-N 404.495 3.282 0 40 HGAB C[C@H](C1CC1)n1nccc1NC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 6787188 WLDSIAYBXKLWBA-OAHLLOKOSA-N 402.520 3.281 0 40 HGAB O=C(CSc1ncccc1C(=O)NCc1ccco1)Nc1ccc2c(c1)OCO2 8133237 PTUGJZFXLYXLKB-UHFFFAOYSA-N 411.439 3.064 0 40 HGAB COc1cccc(NC(=O)C2CCN(S(=O)(=O)c3cc(C)ccc3OC)CC2)c1 8302241 YWDWAGHYJUMYTR-UHFFFAOYSA-N 418.515 3.052 0 40 HGAB O=C(Nc1cccnc1)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 8721431 HQLAZNYYUWZFIB-UHFFFAOYSA-N 413.421 3.140 0 40 HGAB Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1 8746020 WPPCSBDJCSQCTH-UHFFFAOYSA-N 413.433 3.353 0 40 HGAB C[C@@H]1Cc2ccccc2N1C(=O)CN1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 8883481 HCZAZCFYGFUGKN-MRXNPFEDSA-N 421.497 3.044 0 40 HGAB O=C(COc1ccc2ccccc2c1)NC[C@H]1CN(c2ccc3c(c2)OCO3)C(=O)O1 9120984 MLHMYGSPTMYTHR-IBGZPJMESA-N 420.421 3.089 0 40 HGAB CC(=O)NCc1ccc(-c2csc(NC(=O)[C@@H]3Cc4ccccc4C(=O)O3)n2)cc1 9364619 BUSZAPQTYWEOCW-IBGZPJMESA-N 421.478 3.166 0 40 HGAB CCOc1ccc([C@]2(C)NC(=O)N(CC(=O)c3cc(C)n(C4CC4)c3C)C2=O)cc1 9594190 HNXRYTVPTYBUEN-QHCPKHFHSA-N 409.486 3.488 0 40 HGAB COc1ccc(-c2csc(NC(=O)c3cccc(S(C)(=O)=O)c3)n2)cc1OC 9712705 DSFWJKDSYKITSJ-UHFFFAOYSA-N 418.496 3.483 0 40 HGAB CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)Nc1ccc(Cl)c(Br)c1 10128314 NAJWHJFSPITXNZ-MFKMUULPSA-N 419.703 3.411 0 40 HGAB C[C@H](Oc1ccc(Br)cc1)C(=O)N[C@@H]1CCS(=O)(=O)c2ccccc21 11003790 UMIJRGPYTBRYGN-BLLLJJGKSA-N 424.316 3.251 0 40 HGAB O=C(C[C@@H]1CCCCN1S(=O)(=O)c1ccccc1)Nc1ccc2c(c1)OCCO2 11612581 FXPSAOBSKWSSFV-KRWDZBQOSA-N 416.499 3.030 0 40 HGAB COc1ccc2c(c1)CN(C(C)=O)C[C@@H]([C@H]1CCCN(Cc3ccncc3C)C1)O2 12135354 NWGAKYWNWYAROQ-RDPSFJRHSA-N 409.530 3.420 0 40 HGAB CCn1c(N2CCC[C@H](C(=O)NCc3ccc4c(c3)OCO4)C2)nc2ccccc21 12145818 NPDNIGKFFUHORI-KRWDZBQOSA-N 406.486 3.318 0 40 HGAB C[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCCCN3C(=O)c3ccn(C)c(=O)c3)cc2N1 12182415 NHFOFVJTWFCGOQ-UHOFOFEASA-N 423.439 3.257 0 40 HGAB O=C(CCSc1ccccc1)NCCOc1ccc2nnc(-c3ccccc3)n2n1 12443233 XDWJGXAFKORYED-UHFFFAOYSA-N 419.510 3.469 0 40 HGAB CN(C)C(=O)[C@H](Sc1nnc(N2CCOCC2)n1-c1ccccc1)c1ccccc1 12553316 CGJISZSVBRHCKI-LJQANCHMSA-N 423.542 3.026 0 40 HGAB Cc1nc(-c2ccsc2)sc1C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 12917591 OEKOULVRDWZZEY-JTQLQIEISA-N 407.542 3.318 0 40 HGAB COc1ccc2cc(C(=O)NC[C@H]3CN(Cc4ccccc4)CCO3)c(C)nc2c1 12987497 GUDKVNFCAICALC-NRFANRHFSA-N 405.498 3.183 0 40 HGAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1csc(-c2ccsc2)n1 12998247 PXGXVMJWDZIVBQ-UHFFFAOYSA-N 423.541 3.383 0 40 HGAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)CN1C(=O)c2cccc3cccc1c23 13566753 FSCHEDKLPFQKIF-UHFFFAOYSA-N 420.421 3.243 0 40 HGAB CCN(c1ccc(OCC(=O)NCc2ccco2)cc1)S(=O)(=O)c1ccccc1 13584895 IAONWEBJTMGUNO-UHFFFAOYSA-N 414.483 3.190 0 40 HGAB CC(=O)Nc1nc2ccc(C(=O)Nc3ccc(CN4CCOCC4)cc3)cc2s1 13725042 KPNRJLSSQUSGHU-UHFFFAOYSA-N 410.499 3.339 0 40 HGAB O=C(NCc1ccncc1)c1ccc2nc(NS(=O)(=O)c3ccccc3)sc2c1 13726110 MQKMMGBIFOFJNP-UHFFFAOYSA-N 424.507 3.422 0 40 HGAB Nc1c(C(=O)c2ccc(Br)cc2)sc2nc(=O)n3ccccc3c12 14181602 IHDBHWBYKDLWLJ-UHFFFAOYSA-N 400.257 3.485 0 40 HGAB COc1ccc2c(c1)OC1(CCN(C(=O)c3cccc(-c4ncn[nH]4)c3)CC1)CC2=O 19562987 XGGCZHNZVDVBAU-UHFFFAOYSA-N 418.453 3.121 0 40 HGAB COc1cccc(CNC(=O)c2cc([C@@H]3CCCN(Cc4ccncc4)C3)no2)c1 19565647 DQWFPUFGQHSRFL-LJQANCHMSA-N 406.486 3.388 0 40 HGAB CN(C)C(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)CCN(CC2=CCCOC2)C1 19580274 CGQWOMVSPJXHCR-VWLOTQADSA-N 405.542 3.418 0 40 HGAB Cc1noc(C)c1CCC(=O)N1CCC[C@@H](C(=O)c2cnn(-c3ccccc3)c2N)C1 19580646 PLPINNWUWPBQPP-QGZVFWFLSA-N 421.501 3.113 0 40 HGAB CCOc1cccc(CNC(=O)[C@H](CC)N(c2ccc(F)cc2)S(C)(=O)=O)c1 20050929 DQDKQIIKHQYGAL-IBGZPJMESA-N 408.495 3.085 0 40 HGAB CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 20460284 MXELWOUWBMYLRA-LJQANCHMSA-N 406.479 3.406 0 40 HGAB CC[C@H](NC(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O)c1ccc(C)c(C)c1 22368430 PHIDWQPSAYBFAY-SFHVURJKSA-N 418.515 3.066 0 40 HGAB COc1ccc(CNS(=O)(=O)c2ccc(OC)c(Cl)c2Cl)cc1OC 22509115 UIYFENUQKSSYMC-UHFFFAOYSA-N 406.287 3.498 0 40 HGAB O=C(Nc1ccccc1C(F)(F)F)c1c2c(nn1[C@H]1CCS(=O)(=O)C1)CCC2 23136972 ZVAZEILMTPRJQV-NSHDSACASA-N 413.421 3.003 0 40 HGAB COc1cc(/C=C/C(=O)NCC(C)(C)N2C[C@H](C)O[C@H](C)C2)ccc1OC(C)C 23181390 FTURNMGDEIBBGQ-BOWPASAUSA-N 404.551 3.500 0 40 HGAB O=C(Cc1ccc(N2CCCC2=O)cc1)OCc1ccc(C(=O)N2CCCC2)cc1 25116838 QIWWGNPTGHIANA-UHFFFAOYSA-N 406.482 3.335 0 40 HGAB Cc1c(Cl)cccc1Nc1nnc(SCc2nc(N)nc(N(C)C)n2)s1 25856948 BFMAJVACQZKTKM-UHFFFAOYSA-N 408.944 3.369 0 40 HGAB Cc1ccc(N2C(=O)CN([C@@H](C)c3ccccc3)[C@H]3CS(=O)(=O)C[C@H]32)cc1Cl 31773738 IJAVEKWBJMDBBP-RYGJVYDSSA-N 418.946 3.224 0 40 HGAB NC(=O)c1c(NC(=S)NC(=O)COc2ccccc2)sc2c1CCCCC2 32125234 NCQBWJMJZDVFFG-UHFFFAOYSA-N 403.529 3.008 0 40 HGAB CCN(CC)[C@H](CNC(=O)[C@@H](C)NC(=O)/C=C/c1ccccc1)c1cccc(OC)c1 32753484 JBXPZGMKSLMVHU-ROYMIACWSA-N 423.557 3.412 0 40 HGAB COCCOC(=O)C1=C(C)N(Cc2ccc(C(=O)O)cc2)C(=O)N[C@H]1c1ccccc1 39996831 OWRSQJNPDXFOPF-FQEVSTJZSA-N 424.453 3.115 0 40 HGAB C[C@H](NC(=O)c1cccs1)C(=O)NCc1cccc(C(=O)Nc2ccccc2)c1 40106749 SXXNKMHOUDRABI-HNNXBMFYSA-N 407.495 3.435 0 40 HGAB CCOC(=O)c1c(C)[nH]c(C(=O)N[C@@H](C)c2cc(OC)c(OC)c(OC)c2)c1C 40111805 WUZABKUALDCFMT-LBPRGKRZSA-N 404.463 3.325 0 40 HGAB O=C(CSc1ccc(F)cc1)NCCNC(=O)c1ccc(Br)cc1 40157285 MLIPRXSQIZMUKL-UHFFFAOYSA-N 411.296 3.227 0 40 HGAB COc1cc(OC)cc(-c2nnc3sc(-c4n[nH]cc4Br)nn23)c1 40267295 GKRYNQBNRGBMRG-UHFFFAOYSA-N 407.253 3.023 0 40 HGAB CS(=O)(=O)c1ccc(NC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1 43419160 TWUWVXHKWCEDSF-KRWDZBQOSA-N 402.472 3.230 0 40 HGAB COc1cccc(NC(=O)CN2CCc3[nH]c4c(C)c(Cl)ccc4c(=O)c3C2)c1 49003142 BVSHWWFGLVZQNP-UHFFFAOYSA-N 411.889 3.495 0 40 HGAB CCOC(=O)c1sc(NC(=O)N2CC[C@H](N3CCCC3)C2)c(C(=O)OCC)c1C 58306290 SMLISAYXGPEEEB-AWEZNQCLSA-N 423.535 3.112 0 40 HGAB Cc1cc(=O)n(CC(=O)NC(C)C)c(C)c1C(=O)Nc1cccc(Br)c1 72306813 CBKQXUVHCHSCKB-UHFFFAOYSA-N 420.307 3.005 0 40 HGAB Cc1cc(N2CCC(O)(c3ccc(F)cc3)CC2)n2nc(-c3nccn3C)cc2n1 72338476 JBJUVTOTKOMYID-UHFFFAOYSA-N 406.465 3.065 0 40 HGAB CCOC(=O)Cc1csc(NC(=O)c2cc3c(OC)ccc(OC)c3n2C)n1 72402408 WUCGRJPBUMYDMP-UHFFFAOYSA-N 403.460 3.010 0 40 HGAB COCc1cccc(OCC2(CN3C(=O)N[C@]4(CCc5ccccc5C4)C3=O)CC2)c1 95448419 CYLLSWURQRMMER-VWLOTQADSA-N 420.509 3.472 0 40 HGAB CCN1CC[C@@]2(CN(Cc3cccnc3)CC23CCN(Cc2ccc(C)o2)CC3)C1=O 96036465 KYAVASLBWTXPKB-RUZDIDTESA-N 422.573 3.320 0 40 HGAB C[C@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2nc3ccccc3s2)CC1 96311021 OBLRILILZJFGIK-KRWDZBQOSA-N 406.555 3.392 0 40 HGAB CO[C@@H]1CCN(c2ccc(NS(=O)(=O)c3ccccc3Br)cc2)C1 96381902 KFSWUOIDVLHFFG-OAHLLOKOSA-N 411.321 3.475 0 40 HGAB CCCn1c(=O)c(C(=O)NCCc2ccc(OC)c(OC)c2)c(O)c2ccccc21 100621156 GZISUYVUSFFBIE-UHFFFAOYSA-N 410.470 3.107 0 40 HGAB Cc1cc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)[C@H]2C)n2nc(C(F)(F)F)nc2n1 108377194 NYKGSAIQBLRJDW-VXGBXAGGSA-N 414.432 3.286 0 40 HGAB COc1ccccc1N(CCCC(=O)NCc1ccccc1Cl)S(C)(=O)=O 113966715 DHKKILVCHCOFEM-UHFFFAOYSA-N 410.923 3.211 0 40 HGAB COc1ccc(NC(=O)CN(Cc2ccccc2Cl)S(C)(=O)=O)cc1Cl 223085758 SMBCTBZRTWOWRR-UHFFFAOYSA-N 417.314 3.402 0 40 HGAB COc1ccc(N(CC(=O)N[C@@H](C)c2cc(C)c(C)cc2C)S(C)(=O)=O)cc1 223413429 ORWHIMRDQRBKDD-KRWDZBQOSA-N 404.532 3.264 0 40 HGAB CCOc1ccc(N([C@@H](C)C(=O)Nc2cccc(COC)c2)S(C)(=O)=O)cc1 223708677 XMJHRQFOEHTRQL-HNNXBMFYSA-N 406.504 3.025 0 40 HGAB Cc1ccc(OCCNC(=O)[C@@H](C)N(c2ccc(C)c(C)c2)S(C)(=O)=O)c(C)c1 223892057 PRJDKGULZQWERP-LJQANCHMSA-N 418.559 3.270 0 40 HGAB Cc1nc(N2CCOCC2)nc(C)c1NS(=O)(=O)c1ccc(-c2ccccc2)cc1 224303482 IWOXHYPYRFWFFK-UHFFFAOYSA-N 424.526 3.398 0 40 HGAB CS(=O)(=O)N(CCCC(=O)NCCOc1ccccc1Cl)c1ccccc1 224624687 UMQXAVQLLNXEHU-UHFFFAOYSA-N 410.923 3.081 0 40 HGAB Cn1c(=O)sc2cc(NS(=O)(=O)Cc3cccc(Br)c3)ccc21 225067158 CDPPETYLBQOACM-UHFFFAOYSA-N 413.318 3.304 0 40 HGAB CCSc1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccc(OC)c(OC)c1 225395618 GFGTTZAYBLIBRV-UHFFFAOYSA-N 424.544 3.075 0 40 HGAB Cc1ccc(CCCNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)cc1 225533638 IKLJXYNVRQXCBN-LJQANCHMSA-N 418.534 3.284 0 40 HGAB CCC[C@]1(C(=O)OC)N[C@H](c2ccc(C)cc2)[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@H]21 245229608 BUKVTGGQIXTIFJ-QDMVCWPOSA-N 420.509 3.465 0 40 HGAB CCN1CCN(Cc2[nH]cnc2C)C[C@H](Cc2ccccc2-c2cccnc2)C1=O 257264224 LTLVIWURYDMSAT-NRFANRHFSA-N 403.530 3.303 0 40 HGAB O=C(Cc1ccc(F)cc1)N1CCC[C@@]2(CC1)CN(Cc1ccccc1)C(=O)CO2 257315126 UZZTZLJEBXIHAL-XMMPIXPASA-N 410.489 3.179 0 40 HGAB CC(=O)N1CCC[C@H]1C(=O)N1CC[C@H]2O[C@H]3c4ccccc4OC(C)(C)[C@@H]3C[C@H]2C1 257343376 ZSSKLUMRWSYSON-HXUPBZAASA-N 412.530 3.163 0 40 HGAB O=C(Nc1ccccc1)c1nnc2n1C[C@H]1CN(Cc3cccc(Cl)c3)C[C@H]1C2 306143049 XRTUHKRTKKHDMO-IAGOWNOFSA-N 407.905 3.488 0 40 HGAB COc1ccc(C(=O)N2CCN([C@@H](CCC(=O)O)c3ccc(F)cc3)CC2)cc1 408605014 GAWGMPCDOBQKRN-FQEVSTJZSA-N 400.450 3.198 0 40 HGAB CCOC(=O)CSC1=NC(C)=C(C(N)=O)[C@@H](c2cccc(Cl)c2Cl)N1 408994691 ZQCUPWBBSPVZPZ-CQSZACIVSA-N 402.303 3.049 0 40 HGAB O=C1c2ccccc2CN1CCC(=O)N1CCCC2=C[C@@H]3C[C@@H](CN4CCCC[C@H]34)[C@H]21 409414328 KMWOXVJLEQBKSZ-BEZYRKKYSA-N 419.569 3.454 0 40 HGAB CCn1c([C@H]2CCCN2C(=O)NCCc2nnc3n2CCCCC3)nc2ccccc21 523136929 UQPBIVVEGXBRQB-LJQANCHMSA-N 421.549 3.463 0 40 HGAB CC[C@H](C)[C@H](NC(=O)CCn1c(O)nc2ccccc2c1=O)c1nc2ccccc2[nH]1 524732825 QNFQDCVBYNBOMW-XOBRGWDASA-N 419.485 3.272 0 40 HGAB O=C(C1CCN(c2ccc3nncn3n2)CC1)N1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 553295726 PNEYXDAJBNKXOD-NJDAHSKKSA-N 416.529 3.135 0 40 HGAB CCOC1(c2nc([C@H]3CCCO3)no2)CCN(Cc2cccc3c2OCCO3)CC1 583615931 RGAWREJUFMHXNT-GOSISDBHSA-N 415.490 3.220 0 40 HGAB CC(C)c1ccc(CN2CCC[C@@H](n3ncc(N4CCC(O)CC4)cc3=O)C2)cc1 583621930 VFCOMTSSVOSJTB-OAQYLSRUSA-N 410.562 3.165 0 40 HGAB C[C@@H]1CCCN(C[C@@H]2CC3(CCN(S(=O)(=O)Cc4ccccc4)CC3)CO2)C1 585104246 OSIPRLPMLDMORB-CTNGQTDRSA-N 406.592 3.119 0 40 HGAB O=C(N1CCC(Cn2cnc(C3CC3)cc2=O)CC1)C1(c2ccccc2)CCOCC1 585632810 XPJPZEJGUWIXLM-UHFFFAOYSA-N 421.541 3.108 0 40 HGAB CN1CCOc2ccccc2CCCCC2(CCN(C(=O)c3nccnc3N)CC2)C1 643573999 WFMBZPJHXWCZEB-UHFFFAOYSA-N 423.561 3.018 0 40 HGAB CN1CCN(C[C@@H](NC(=O)NC2CCC3(CCOCC3)CC2)c2ccccc2)CC1 1116233112 PFTOQZLASIEBPQ-JOCHJYFZSA-N 414.594 3.014 0 40 HGAB COc1ccc(CCN[C@@H](C(=O)c2ccc(OC)cc2)c2oc(C)cc(=O)c2O)cc1 1547139027 YVNIYWBAPRMTET-NRFANRHFSA-N 423.465 3.427 0 40 HGAB biogenic O=C(CC1(N2Cc3ccccc3C2=O)CCOCC1)Nc1nnc(C2CCC2)s1 1548348448 LWSSOSGSNFKLST-UHFFFAOYSA-N 412.515 3.339 0 40 HGAB O=C([C@H]1CCCN(c2nc3ccc(Br)cc3s2)C1)N1CCOCC1 1889149298 IYSQLGUUQFVUAG-LBPRGKRZSA-N 410.337 3.134 0 40 HGAB CCn1cc(CN2CC[C@H]3NC(=O)COc4ccccc4CCCC[C@H]3C2)c(C)n1 2037844346 TZBYSNAYWCEXPP-RBBKRZOGSA-N 410.562 3.324 0 40 HGAB COc1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)c1 801503 PVCIDEYZSKOMLF-CQSZACIVSA-N 408.907 3.388 0 40 HGAB CCOc1ccc2[nH]c(=O)c(CN(Cc3ccc(OC)cc3)C(=S)NC)cc2c1 884336 JAMHRSFZDMMFMC-UHFFFAOYSA-N 411.527 3.442 0 40 HGAB CCOC(=O)c1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@H]2c2cccc(O)c2)cc1 944376 YAXRTOOJUBFEFC-IBGZPJMESA-N 419.441 3.088 0 40 HGAB O=C(COC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)Nc1ccccc1C(F)(F)F 1985890 GVLTZZPQBHNLAN-OAHLLOKOSA-N 420.387 3.236 0 40 HGAB CC[C@H](C)[C@H](NC(=O)[C@H](C)Oc1ccc2c3c(c(=O)oc2c1)CCCC3)C(=O)O 2099386 MGHCIGMRLGCRMV-JMERFSKESA-N 401.459 3.055 0 40 HGAB biogenic COc1ccc(-n2c(N)c(C(=O)NC3CC3)c3nc4ccccc4nc32)cc1OC 2329261 RMBQKQUTFXRWBB-UHFFFAOYSA-N 403.442 3.065 0 40 HGAB COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)OCC(=O)C(C)(C)C)cc1 3320107 YXISBYDAAMTNOO-UHFFFAOYSA-N 419.499 3.292 0 40 HGAB CCN(CC)S(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2cc(C)cc(C)c2)c1 3343970 JVBCBFGAMQMYKB-UHFFFAOYSA-N 418.515 3.129 0 40 HGAB O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1cccc(OC(F)F)c1 3480326 BIJVYNNHRZHYFY-UHFFFAOYSA-N 420.397 3.131 0 40 HGAB CCOC(=O)CN(C(=O)CSc1nnc(-c2ccoc2C)o1)c1ccccc1 4879622 DCYIMDWHBHXPKF-UHFFFAOYSA-N 401.444 3.326 0 40 HGAB O=C(CSc1nc2ccccc2c(=O)n1C[C@H]1CCCO1)NCC1CCCCC1 5129843 IBYHAPHJXQNPAD-QGZVFWFLSA-N 415.559 3.364 0 40 HGAB COc1ccc(CCn2c(C)cc(C(=O)CN3C(=O)NC4(CCCC4)C3=O)c2C)cc1 5292973 CACJTQUJOAMHKC-UHFFFAOYSA-N 423.513 3.404 0 40 HGAB COc1ccc(NS(=O)(=O)c2cc(C)c(C)cc2OC)cc1N1CCCC1=O 5329685 XLQMXPWGZRDTIB-UHFFFAOYSA-N 404.488 3.248 0 40 HGAB CC[C@@H](C)c1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 5509071 BAWRRANIHTUGAH-MRXNPFEDSA-N 402.516 3.473 0 40 HGAB CCc1ccc(C(=O)O[C@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 5691782 SZJXCJHVGWAABW-MRXNPFEDSA-N 407.470 3.231 0 40 HGAB CC(=O)[C@H](Cc1ccccc1)NC(=O)CSc1nnc(-c2ccccc2F)n1C 5938117 VEKUTXZZTIDYFR-SFHVURJKSA-N 412.490 3.030 0 40 HGAB CCOCCCNC(=O)CN(Cc1cccc(C)c1)S(=O)(=O)c1ccc(C)cc1 6354811 YGWBZVVTILPNSB-UHFFFAOYSA-N 418.559 3.037 0 40 HGAB O=C(CN(Cc1ccco1)S(=O)(=O)/C=C/c1ccccc1)NCc1ccccc1 6560585 NSVWGTGWTNFXQF-FYWRMAATSA-N 410.495 3.399 0 40 HGAB COc1ccc2c(C)c(CC(=O)NCC3(CC(=O)O)CCCCC3)c(=O)oc2c1 6759125 IWKCXXTUOFZZSQ-UHFFFAOYSA-N 401.459 3.194 0 40 HGAB COc1cccc(C(=O)NC(=S)Nc2sc3c(c2C(N)=O)CC[C@H](C)C3)c1 6824583 ANJUKYADSZOSBX-JTQLQIEISA-N 403.529 3.107 0 40 HGAB COc1cccc(C(=O)Nc2nc(-c3nnn(-c4ccc(F)cc4)c3C)ns2)c1 6914721 WPURADCRULSVCA-UHFFFAOYSA-N 410.434 3.494 0 40 HGAB CN(C)C[C@@H](NC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12)c1ccccc1 7817193 ITSFHXQIETWVIC-JOCHJYFZSA-N 412.493 3.418 0 40 HGAB CN(CC(=O)Nc1cc(Cl)ccc1Oc1ccccc1)[C@@H]1CCS(=O)(=O)C1 7986990 GVOJWNORMYZQIN-OAHLLOKOSA-N 408.907 3.190 0 40 HGAB NC(=O)[C@H]1CCCCN1C(=O)CSc1ncnc2scc(-c3ccccc3)c12 8132627 PHYPCQJOYCVVAB-OAHLLOKOSA-N 412.540 3.317 0 40 HGAB O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1n[nH]c(=O)c2ccccc12 8585857 PMPRHTQOBNPUCM-UHFFFAOYSA-N 418.375 3.031 0 40 HGAB CCCCCCn1c(=O)c2c(nc3n2CCCN3c2cccc(OC)c2)n(C)c1=O 8625404 GEVNCYFPDJASNQ-UHFFFAOYSA-N 411.506 3.027 0 40 HGAB Cn1nc(-c2ccco2)cc1[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)COc1ccccc1 8635398 OXIDHOULQJVSBR-NSHGMRRFSA-N 420.513 3.053 0 40 HGAB biogenic,in-vitro Cn1cnnc1SCC(=O)Nc1ccc(C(=O)N2CCC[C@H]3CCCC[C@H]32)cc1 8879501 AGFYWEQNZQVXMV-CRAIPNDOSA-N 413.547 3.341 0 40 HGAB Cc1nc2ccc(NS(=O)(=O)c3cc4oc(=O)n(C)c4cc3Cl)cc2nc1C 9130766 ZUKOVKPGEFSVJS-UHFFFAOYSA-N 418.862 3.146 0 40 HGAB COc1cc(C)c(C)cc1S(=O)(=O)Nc1ccc2c(c1)N(C)C(=O)C(C)(C)CO2 9170047 GDPZKQDHJDEUJC-UHFFFAOYSA-N 418.515 3.494 0 40 HGAB CCOC(=O)N1CCC(NC(=O)[C@@H](NC(=O)C2CCC(C(C)C)CC2)C(C)C)CC1 9195230 IBYMQGNJROZKGQ-QLOJAFMTSA-N 423.598 3.327 0 40 HGAB COc1ccc(C(=O)CSc2nc(CC(=O)NCc3cccnc3)cs2)cc1 11695016 QGEWCCUUSLILCW-UHFFFAOYSA-N 413.524 3.381 0 40 HGAB CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)CCc1ccccc1Cl 12527462 IFKIIKIQNHWAHR-UHFFFAOYSA-N 415.921 3.206 0 40 HGAB O=C(COc1ccc(Nc2ccccc2)cc1)N1CCN(C(=O)c2ccco2)CC1 12543963 OAUWLKMVRKKSMW-UHFFFAOYSA-N 405.454 3.387 0 40 HGAB Cc1ccc(-c2noc(CN3CCN(C(=O)[C@@H](C)Oc4ccc(F)cc4)CC3)n2)cc1 12758367 CHKWRLGLRQESIQ-QGZVFWFLSA-N 424.476 3.296 0 40 HGAB CC(C)[C@@H](NC(=O)Cc1ccccc1)C(=O)NC[C@H](c1ccccc1Cl)N(C)C 12774021 NSTCKFKJQWQKPD-IFMALSPDSA-N 415.965 3.442 0 40 HGAB O=C(Cn1nc(-c2cccc(Cl)c2)ccc1=O)Nc1cccc(C(=O)NC2CC2)c1 12881719 XJRXJGZECCABHF-UHFFFAOYSA-N 422.872 3.095 0 40 HGAB COC(=O)c1ccc(S(=O)(=O)N[C@@H](c2ccc3c(c2)OCCCO3)C(C)C)cc1 12979496 QGIJLCZHEANRMS-HXUWFJFHSA-N 419.499 3.310 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCCc3cc(C(=O)NC[C@@H]4CCCO4)ccc32)cc1 13583639 JKVYNUBNFMZSSI-IBGZPJMESA-N 414.527 3.045 0 40 HGAB Cc1cc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)n(C(C)C)n1 13657099 OEXOETBPXXIZRZ-OAHLLOKOSA-N 424.954 3.465 0 40 HGAB COc1ccc(OC)c(-c2ccc(N3CCN(C(=O)c4cccs4)CC3)nn2)c1 13659212 SYHGBHKGWOMBKA-UHFFFAOYSA-N 410.499 3.185 0 40 HGAB COc1ccc(NC(C)=O)cc1NC(=O)C[C@H]1CSc2nc(C(C)C)cc(=O)n21 14034093 RROGXOWHQGJHJB-AWEZNQCLSA-N 416.503 3.009 0 40 HGAB COc1cc(CN(C)Cc2nc3ccccc3c(=O)[nH]2)c(OC)cc1Br 14184937 IZHMDMUYYYGNGB-UHFFFAOYSA-N 418.291 3.335 0 40 HGAB COc1cccc([C@@H](CNC(=O)c2ccc3c(c2)NC(=O)CS3)N2CCCC2)c1 14232618 YWZYPQDOSFHQEF-LJQANCHMSA-N 411.527 3.306 0 40 HGAB CCn1nc(C(=O)NCc2cc(Cl)c3c(c2)OCCCO3)c2ccccc2c1=O 15094132 VAPOPGMMLSICLC-UHFFFAOYSA-N 413.861 3.161 0 40 HGAB COc1ccc(NC(=O)CCc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cn1 15617059 RXEZOHXFJOVITL-UHFFFAOYSA-N 417.531 3.226 0 40 HGAB COc1ccccc1-c1cc2c(=O)n(Cc3nc(-c4ccc(F)cc4)no3)ccn2n1 16842678 DMMKSIFLUKWHFG-UHFFFAOYSA-N 417.400 3.409 0 40 HGAB CC(C)(C)C(=O)NC(=S)Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)cc1 17090040 KYHFGNPTMGSABP-UHFFFAOYSA-N 414.531 3.101 0 40 HGAB CS(=O)(=O)Nc1cccc(C(=O)OCc2cc(Cl)c3c(c2)OCCCO3)c1 17654485 JFXGWIOXRZJZDA-UHFFFAOYSA-N 411.863 3.230 0 40 HGAB Cc1cc(-c2cn(C)nc2[C@@H]2CCCN2C(=O)c2cc(C(F)(F)F)n(C)n2)on1 19121511 VZQAFXYLECYATE-ZDUSSCGKSA-N 408.384 3.113 0 40 HGAB Cc1ccc(S(=O)(=O)Cc2csc(NC(=O)CCc3ccncc3)n2)cc1 19211142 RTPQXOGICZHGTC-UHFFFAOYSA-N 401.513 3.392 0 40 HGAB COc1ccc(S(=O)(=O)CCNC(=O)c2cc3cc(C)cc(C)c3nc2C)cc1 19715329 SLRWNFJGJKKWIA-UHFFFAOYSA-N 412.511 3.372 0 40 HGAB COc1ccc([C@H](NC(=O)Cn2c(C)nc3cc4c(cc32)OCCO4)C2CC2)cc1 19718236 QWBSDRXYUGQZTQ-HSZRJFAPSA-N 407.470 3.392 0 40 HGAB COCCCNC(=O)c1ccc2c(c1)C[C@H](C)N2S(=O)(=O)c1ccc(Cl)cc1 20448417 HHNYVQINJCTGKS-AWEZNQCLSA-N 422.934 3.246 0 40 HGAB Cc1cc(C)n(CCCNC(=O)[C@@H](NC(=O)C23CC4CC(CC(C4)C2)C3)C(C)C)n1 20918730 DDCHSFCSWDWTAG-PQCJFMQRSA-N 414.594 3.363 0 40 HGAB Cc1nc2c3ccccc3nc(SCCCN3C(=O)c4ccccc4C3=O)n2n1 21601562 JCBAACDSKOGFGD-UHFFFAOYSA-N 403.467 3.364 0 40 HGAB COc1ccc([C@H](C)NC(=O)CN(c2c(C)cc(C)cc2C)S(C)(=O)=O)cc1 22397424 RQWVSUROFYRQLG-KRWDZBQOSA-N 404.532 3.264 0 40 HGAB CN(C)S(=O)(=O)N1CCC[C@@H](C(=O)Nc2cc(Cl)c(Cl)cc2Cl)C1 22532599 WNXSDMQJWWXYQB-SECBINFHSA-N 414.742 3.104 0 40 HGAB CC1(C)Cc2cccc(OCC(=O)N3CCC(n4c(=O)[nH]c5ccccc54)CC3)c2O1 23805694 QCSJZOSFPXLVNE-UHFFFAOYSA-N 421.497 3.286 0 40 HGAB CCOC(=O)c1cnn(-c2ccc(NS(=O)(=O)c3cc(F)ccc3F)cc2)c1C 24578136 LWKDVRHAPSQFFY-UHFFFAOYSA-N 421.425 3.436 0 40 HGAB O=C(COc1ccc(Cl)c2ccccc12)NN1C(=O)NC2(CCCCC2)C1=O 25992193 JPNVRVDLNFDXPE-UHFFFAOYSA-N 401.850 3.158 0 40 HGAB Cc1cccc(NC(=O)c2cccc(S(=O)(=O)N3CCc4sccc4C3)c2)n1 30557490 NXIZDKHSSIODNO-UHFFFAOYSA-N 413.524 3.451 0 40 HGAB CCNC(=O)N[C@H]1CC[C@]2(C)CC[C@H]([C@H](C)C(=O)N3CCCCC3)[C@H](O)[C@H]2[C@@H]1C 30884169 ZDRQWPVQLGSNIQ-CZQCFGCQSA-N 407.599 3.146 0 40 HGAB biogenic,in-vitro COC(=O)C[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1)c1cccs1 32453844 BLLFOINCQGGTLO-SJLPKXTDSA-N 412.511 3.010 0 40 HGAB COC(=O)c1cc(CSCC(=O)N[C@H](C)c2ccc3c(c2)OCCO3)oc1C 32907793 KMBBRFCOZKPKQW-GFCCVEGCSA-N 405.472 3.256 0 40 HGAB C[C@H]1CN(C[C@H](O)COc2ccc(Br)cc2Br)C[C@H](C)O1 35052983 ZNGPEHWUSWLOND-GVXVVHGQSA-N 423.145 3.061 0 40 HGAB Cc1cccc(Oc2ccc(NC(=O)COC(=O)c3c(C)c(C)nn(C)c3=O)cc2)c1 40050911 NPOHAHYUXVATNW-UHFFFAOYSA-N 421.453 3.293 0 40 HGAB COc1ccccc1-c1nc(NC(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n[nH]1 40088566 KPAYZMBLDGAROH-CYBMUJFWSA-N 401.467 3.066 0 40 HGAB CCCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2nc(-c3ccccc3OC)cs2)C1 40134091 DRCHFOZJWHTEQP-CQSZACIVSA-N 423.560 3.209 0 40 HGAB CCCCOC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1cc(Br)ccc1OC 40979695 QSPCOFAPUUSMMK-OAHLLOKOSA-N 422.283 3.076 0 40 HGAB COc1ccc(OCc2nc(C)cc(=O)n2CC(=O)Nc2cc(F)cc(F)c2)cc1 51319418 AQIIBNAPWBFWMU-UHFFFAOYSA-N 415.396 3.056 0 40 HGAB O=C(CN1CCCN(CC2CCCCC2)CC1)NC[C@H]1CCN(c2ccccc2)C1 54320975 ARQLMUUOTNADFV-HSZRJFAPSA-N 412.622 3.217 0 40 HGAB CCc1nnc(NS(=O)(=O)c2ccc(NC(=O)Cc3ccc(C)cc3)cc2)s1 54360555 QVUIWUAVECJJFA-UHFFFAOYSA-N 416.528 3.391 0 40 HGAB CC(C)[C@H](c1nnnn1Cc1cccs1)N1CCN(c2ccc(F)cc2)CC1 57671558 SCYSTUUKYYYKMI-LJQANCHMSA-N 400.527 3.441 0 40 HGAB C[C@@H]1CCc2c(sc3nc(CCN4CCN(c5nccs5)CC4)nc(N)c23)C1 57727622 ARVGIAJOQNZZRA-CYBMUJFWSA-N 414.604 3.220 0 40 HGAB Cc1ccc([C@@H](OC[C@H](O)Cn2nc(C)c3c(C)onc3c2=O)c2ccccc2)cc1 60358263 CAYVIHOYTPZRCY-OFNKIYASSA-N 419.481 3.477 0 40 HGAB Cc1ccc([C@@H](OC[C@@H](O)Cn2nc(C)c3c(C)onc3c2=O)c2ccccc2)cc1 60358265 CAYVIHOYTPZRCY-REWPJTCUSA-N 419.481 3.477 0 40 HGAB Cn1c(SCC(=O)N2CCCCCC2)nnc1-c1ccc2c(c1)OCCCO2 64987253 SUAGWCSRPSVXQY-UHFFFAOYSA-N 402.520 3.138 0 40 HGAB CSc1cccc(NC(=O)Cn2nnc(C(=O)Nc3ccc(F)cc3F)c2C)c1 67322708 IISVROWWYNTVGL-UHFFFAOYSA-N 417.441 3.478 0 40 HGAB COc1ccc(S(=O)(=O)NC[C@H](O)c2ccc(C(F)(F)F)cc2)cc1Cl 70640153 IWLFYLPAQLNMOS-AWEZNQCLSA-N 409.813 3.379 0 40 HGAB CSc1cccc(N2CN=C3S[C@@H](CC(=O)Nc4ccccc4)C(=O)N3C2)c1 72333645 JHCLUEPGYSQTHW-KRWDZBQOSA-N 412.540 3.472 0 40 HGAB COc1ccccc1OCCc1cc([C@@H]2CCN(C(=O)c3scnc3C)C2)n[nH]1 72371524 PSCSVVAGKDZGPH-OAHLLOKOSA-N 412.515 3.434 0 40 HGAB Cc1cc(Nc2nc(C)cs2)cc([C@@H]2CCCN2S(=O)(=O)c2cn(C)cn2)n1 72372718 JSNXMONAFMMWLN-INIZCTEOSA-N 418.548 3.158 0 40 HGAB CC[C@H](NC(=O)c1ccc2c(c1)nc(C)n2C)[C@H]1CN(Cc2ccccc2)CCO1 84727092 KVDNYOUQVVIMOU-NZQKXSOJSA-N 406.530 3.291 0 40 HGAB O=C(Nc1ccc(Br)cc1F)N1CCN(c2cc(Cl)ncn2)CC1 95942366 TVTASHMHYVNFDP-UHFFFAOYSA-N 414.666 3.386 0 40 HGAB CN1CCN(C(=O)CSc2nnc(-c3ccccc3)c(-c3ccccc3)n2)CC1 97316547 FDWCLAWFUZWNPZ-UHFFFAOYSA-N 405.527 3.072 0 40 HGAB Cc1cc(Br)ccc1NC(=O)CC[C@@H]1NC(=O)c2ccccc2NC1=O 101059533 AMXOGZBDPXPMAU-INIZCTEOSA-N 416.275 3.227 0 40 HGAB Cc1c(NC(=O)[C@@H](C)OC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)c(=O)n(-c2ccccc2)n1C 102182343 DSGCANXLKAXDAP-VSZNYVQBSA-N 411.502 3.181 0 40 HGAB Cc1cc(C)c(NC(=O)[C@H](C)OC(=O)[C@H](C)N2C(=O)[C@H]3CCCC[C@H]3C2=O)c(C)c1 104167430 HKQYOONUQPUQTA-XLAORIBOSA-N 414.502 3.046 0 40 HGAB C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2[C@H](O)C[C@]2(C)[C@@H](c3ccc(=O)oc3)CC[C@@]12O 118916534 FMTLOAVOGWSPEF-QXNSFARGSA-N 402.531 3.213 0 40 HGAB COc1ccc(CCNC(=O)CCCN(c2cccc(C)c2C)S(C)(=O)=O)cc1 222629270 PPUYTNSAGLYNJI-UHFFFAOYSA-N 418.559 3.217 0 40 HGAB O=C(Nc1nnc(C2CC2)s1)[C@H]1CCC(=O)N1Cc1ccc(OC(F)F)cc1 223414454 AHWIPCVUFZDBCK-CYBMUJFWSA-N 408.430 3.147 0 40 HGAB CN1CCN(C(=O)c2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc2)CC1 223652228 MRLHXRLEDIKVEH-UHFFFAOYSA-N 409.511 3.028 0 40 HGAB COc1ccc(C(=O)N2CCCCC2)cc1CN(c1ccc(F)cc1)S(C)(=O)=O 224761218 JMGSFSNBMKRJPA-UHFFFAOYSA-N 420.506 3.427 0 40 HGAB COc1ccc(CNC(=O)/C(=C/c2ccco2)NC(=O)c2ccc(OC)cc2)cc1 225092190 QNWDJYKJPJBABE-STZFKDTASA-N 406.438 3.384 0 40 HGAB CCc1ccc(OCCNS(=O)(=O)c2cc(Br)ccc2OC)cc1 225166380 QQOWLHBZXSQIFG-UHFFFAOYSA-N 414.321 3.377 0 40 HGAB C[C@@H](C(=O)NC(C)(C)Cc1ccccc1)N(c1ccc(F)c(F)c1)S(C)(=O)=O 225818513 ZPUBPODUTMRLNO-AWEZNQCLSA-N 410.486 3.257 0 40 HGAB CC(C)CNC(=S)Nc1nc(Sc2ncccn2)cc(N2CCCCC2)n1 225891417 UWWBKJRTHKAEAC-UHFFFAOYSA-N 403.581 3.351 0 40 HGAB O=C1N[C@]2(C[C@H]3CC[C@H]2C[C@@H]3C(=O)N2CCC(=O)[C@H]3CCCC[C@H]32)Oc2ccccc21 247960009 PTQZIMJJUTXQOV-UDTACGMNSA-N 422.525 3.302 0 40 HGAB C[C@@H](C(=O)Nc1ncc(Cc2ccccc2)s1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 253376792 UZNDGXHPKYXABD-GIVGJKMXSA-N 409.511 3.092 0 40 HGAB Cc1ccc(C(=O)N2CCN3[C@@H](C2)CN(C(=O)c2ccccc2F)CC3(C)C)cc1 253402441 OIYOYUPMWZOQSL-IBGZPJMESA-N 409.505 3.195 0 40 HGAB biogenic,in-vitro Cn1nccc1C(=O)N1[C@H](c2cccc(C(F)(F)F)c2)C[C@H]2NC(=O)CCCC[C@@H]21 257210958 BWWNLNJBHDNEBX-RYRKJORJSA-N 420.435 3.454 0 40 HGAB Cn1cncc1-c1cc(CC2CCN(C(=O)c3ccc4[nH]cnc4c3)CC2)ccn1 257303054 SFPIVBVFRXPARL-UHFFFAOYSA-N 400.486 3.453 0 40 HGAB CNc1cc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2)nc(C2CC2)n1 257343039 ZRFGVPVQNXNKHL-RBUKOAKNSA-N 404.518 3.029 0 40 HGAB C[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1)c1ccc2c(c1)CCC2 260928763 KTJQQCPDKTZASV-UTKZUKDTSA-N 412.555 3.453 0 40 HGAB CCOCCCNC(=O)c1nc(-c2ccnn2-c2ccc(C)cc2)n2ccncc12 306132508 LLBAMKHIOWZBGN-UHFFFAOYSA-N 404.474 3.047 0 40 HGAB O=C(O)CCN1C(=O)[C@@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 408661504 QSEBJCNCFBLPRS-AGXSTUJCSA-N 416.260 3.054 0 40 HGAB O=C(O)CCN1C(=O)[C@@H]2[C@@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 408661513 QSEBJCNCFBLPRS-AMZMEHNNSA-N 416.260 3.054 0 40 HGAB Cc1ccc(C)n1NC(=O)c1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)cc1 408685472 PNHYVLBLHQDQEM-HXIANDDZSA-N 401.466 3.046 0 40 HGAB CC1=NN(C(=O)c2ccccc2Br)[C@](O)(C(F)(F)OC(F)(F)F)C1 409181840 FVKLYPRRBAONFV-LLVKDONJSA-N 417.128 3.489 0 40 HGAB CCOCCCNC(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccc(Cl)cc1 409412185 SVPCXFVAMXVLLJ-UHFFFAOYSA-N 424.950 3.387 0 40 HGAB O=S(=O)(NCC[C@H](CCO)c1cccs1)c1ccccc1Br 575608170 QGUKSXKYSCUBKR-GFCCVEGCSA-N 404.351 3.345 0 40 HGAB CC(C)(N)C(=O)N1CCC(c2cccc(Nc3ncc(Br)s3)n2)CC1 585263096 JUOLHFNXSQJMRC-UHFFFAOYSA-N 424.368 3.488 0 40 HGAB O=C(C1CCOCC1)N1CCC[C@H](c2ccnc(-c3noc(C(F)(F)F)n3)c2)C1 585290180 NWWOCHJKUKGTSC-AWEZNQCLSA-N 410.396 3.283 0 40 HGAB O=C([C@H]1CN(c2ncc(C(F)(F)F)cc2Br)CCO1)N1CCCCC1 1888863950 KAMXNLANMCNGDF-CYBMUJFWSA-N 422.245 3.081 0 40 HGAB C[C@]12CCN(c3ncnc4[nH]cnc34)[C@H]1CCCCC(=O)N2Cc1ccc(F)cc1 2037843742 HCLKOFYBEFJXFL-JTSKRJEESA-N 408.481 3.432 0 40 HGAB O=C(CN1CCC[C@](O)(COc2ccc(F)cc2)C1)Nc1nc2c(s1)CCCC2 2037916095 NGACONBHSIMLLA-OAQYLSRUSA-N 419.522 3.005 0 40 HGAB CCOc1ccc([C@@H](C)NC(=O)CNC(=O)c2cccc(Br)c2)cc1 29774140 UFOLPEOLUCZOEC-CYBMUJFWSA-N 405.292 3.455 0 40 HGAB CCOC(=O)c1csc(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(C)cc3)C2)n1 46429356 OKCMHSUAEFRPGI-OAHLLOKOSA-N 401.488 3.119 0 40 HGAB Cc1ccc2cc([C@@H](c3nnnn3Cc3ccccc3)N3CCCC3)c(=O)[nH]c2c1 892596 AZYHTBOUPPQCEG-NRFANRHFSA-N 400.486 3.057 0 40 HGAB CCn1c(CSc2ncccn2)nnc1SCC(=O)N1CCc2ccccc21 1325559 MYFISXXNTPEMFF-UHFFFAOYSA-N 412.544 3.062 0 40 HGAB Cc1nn(C)c2sc(C(=O)Nc3c(C(=O)N4CCOCC4)oc4ccccc34)cc12 32873608 RKDSDFOTRUAFOQ-UHFFFAOYSA-N 424.482 3.414 0 40 HGAB COc1cccc(C2=NO[C@H]3C(=O)N(c4cc(Cl)ccc4Cl)C(=O)[C@@H]23)c1OC 102559216 JBSCRCHHRYVXCR-WMLDXEAASA-N 421.236 3.303 0 40 HGAB CC(C)(C)NC(=O)[C@H](c1ccccc1F)N(C(=O)Cn1nnc2ccccc21)C1CC1 4240177 LUNSYPUKTCDMRF-NRFANRHFSA-N 423.492 3.217 0 40 HGAB COc1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@H]2c2cccc(OC)c2OC)cc1 4716113 FNDTYWDBDKBSRS-IBGZPJMESA-N 421.457 3.232 0 40 HGAB C[C@@H]1CCCCN1C(=O)CSc1nc2ccccc2n1CC(=O)N1CCCC1 4859131 BGVVOQMOSNUIKF-MRXNPFEDSA-N 400.548 3.152 0 40 HGAB CC[C@H]1CCCCN1C(=O)CSc1nc2ccccc2n1CC(=O)NC(C)C 4859287 DQDKNTZRJBNXAJ-INIZCTEOSA-N 402.564 3.444 0 40 HGAB NC(=O)c1ccccc1NC(=S)NC(=O)c1ccc(COc2ccccc2)cc1 6393087 WPGFGEPHJOGMFV-UHFFFAOYSA-N 405.479 3.491 0 40 HGAB Cc1c(Cl)cccc1-n1c(-c2ccc(F)cc2)cn2c3c(=O)[nH]c(=O)n(C)c3nc12 10104502 TVIJWNZQDKTPBJ-UHFFFAOYSA-N 423.835 3.433 0 40 HGAB COc1ccc(C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)cc1Br 8735277 SHMSKJPVEDKBGJ-UHFFFAOYSA-N 417.181 3.244 0 40 HGAB CCc1ccc(OCC(=O)NC(=S)Nc2cccc(CO)c2)c(Br)c1 676746 KRLGCBSRYIXFIP-UHFFFAOYSA-N 423.332 3.396 0 40 HGAB O=C(CCn1c(=S)[nH]c2ccccc2c1=O)Nc1ccc2c(c1)OC(F)(F)O2 22415788 LAONDXSTAOCGFU-UHFFFAOYSA-N 405.382 3.409 0 40 HGAB Cc1cc(NC(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)ccc1Br 22873596 IMMLWARCZDJMEE-UHFFFAOYSA-N 409.305 3.451 0 40 HGAB COc1ccc(NC(=O)c2ccc(N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)cc2)c(OC)c1 102301505 FJWSXAXNCDFHOS-ROUUACIJSA-N 406.438 3.412 0 40 HGAB CC(=O)NSC[C@@H](C(=O)O)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 55161814 HGTPWTMTIZBBPZ-IBGZPJMESA-N 414.483 3.105 0 40 HGAB CN(Cc1ccc2c(c1)OCO2)C(=O)c1cnn(-c2ccccn2)c1C(F)(F)F 24651350 SAUMJELTDQHKHW-UHFFFAOYSA-N 404.348 3.287 0 40 HGAB CCOC(=O)[C@H]1CCCN(C(=O)c2cnn(-c3ccc(Br)cc3)c2C)C1 24602466 BBYTUFUHKCVOTI-AWEZNQCLSA-N 420.307 3.359 0 40 HGAB CCCCCNC(=O)COC(=O)c1ccccc1-n1ncc(Cl)c(Cl)c1=O 24832692 OFFUGZYNBFFGMH-UHFFFAOYSA-N 412.273 3.003 0 40 HGAB CCNc1nc(NCC)nc(NNc2nc3sc4c(c3c(=O)s2)CCCC4)n1 3219193 BXJPSARFUQXKEQ-UHFFFAOYSA-N 418.552 3.084 0 40 HGAB CCS(=O)(=O)c1ccc2oc(SCC(=O)NCCCc3ccccc3)nc2c1 3262042 NHNXADWLNXMEDQ-UHFFFAOYSA-N 418.540 3.463 0 40 HGAB Cc1ccc(C(=O)COC(=O)[C@@H](C(C)C)N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2=O)cc1C 2078610 FGLSBANXJAAJQN-LXDWIVHCSA-N 411.498 3.085 0 40 HGAB CCOC(=O)N1CCN(C(=O)/C=C/c2cccc(OCc3csc(C)n3)c2)CC1 29646835 IDNJHPMMTWSKGC-BQYQJAHWSA-N 415.515 3.344 0 40 HGAB Cn1c(=O)sc2cc(S(=O)(=O)Nc3ccc(Br)cc3F)ccc21 64946758 RYNIFAFRTBBTKM-UHFFFAOYSA-N 417.281 3.302 0 40 HGAB O=C(CCNC(=O)c1csc(-c2ccc(Cl)cc2)n1)NCc1ccncc1 58217732 WEQKJXRUSLUOTO-UHFFFAOYSA-N 400.891 3.295 0 40 HGAB CCOc1ccc(N([C@@H](C)C(=O)N[C@@H](C)c2ccc(OC)cc2)S(C)(=O)=O)cc1 20456323 BKXBSSQXFKYLJE-HOTGVXAUSA-N 420.531 3.126 0 40 HGAB CC[C@H](C)[C@H](NC(=O)[C@H](C)Oc1ccc2c3c(c(=O)oc2c1C)CCCC3)C(=O)O 2104383 RTFQGEOOLBPWHU-PJFSTRORSA-N 415.486 3.363 0 40 HGAB biogenic O=C(NCc1ccc(F)cc1)[C@H]1CCCN(S(=O)(=O)Cc2cccc(Cl)c2)C1 113971606 UJEUTLQVOFICJG-KRWDZBQOSA-N 424.925 3.337 0 40 HGAB C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 20461578 HLTVJQMGAVETGT-CQSZACIVSA-N 415.446 3.428 0 40 HGAB COC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(N3CCCC3=O)c(C)c2)c1 28242938 LWZFHWLTPGZJII-UHFFFAOYSA-N 402.472 3.018 0 40 HGAB CCc1ccc([C@H](CNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(C)=O)N(C)C)cc1 12745553 PILMHKQQMRAWJD-RPWUZVMVSA-N 420.557 3.197 0 40 HGAB CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NC1CCN(C2CC2)CC1 11527205 ABUYMDATXFJPFH-GOSISDBHSA-N 412.361 3.491 0 40 HGAB COCCCn1c(S[C@H]2CCCCCC2=O)nc2cc(C(=O)OC)ccc2c1=O 29390141 FGDVYWDOQGQLPP-SFHVURJKSA-N 418.515 3.214 0 40 HGAB Cn1c(CCC(=O)NCC2(N3CCCCC3)CCCCC2)nc2ccccc2c1=O 12914401 WEYOTFHLMFBTEF-UHFFFAOYSA-N 410.562 3.171 0 40 HGAB C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)Oc3ccc4c(c3)CCC4)c2)C[C@@H](C)O1 13164433 RREBHAGBHMDDLX-IYBDPMFKSA-N 415.511 3.192 0 40 HGAB COc1cccc(-n2nnc(C(=O)NCc3ccccc3F)c2-c2ccncc2)c1 49003457 BXDBCOROXUPGJF-UHFFFAOYSA-N 403.417 3.407 0 40 HGAB COC(=O)Cc1c(C)c2ccc3c(c2oc1=O)CN(Cc1ccc(OC)cc1)CO3 19882425 FSBYFGXKNKSFBQ-UHFFFAOYSA-N 409.438 3.178 0 40 HGAB biogenic COc1ccc(NC(=O)[C@@H]2Oc3cc(C)oc(=O)c3[C@H]2c2ccc3c(c2)OCO3)cc1 96336034 IPWCWSMWHNEKSN-TZIWHRDSSA-N 421.405 3.217 0 40 HGAB COc1ccccc1-n1nnnc1SCC(=O)Nc1ccccc1C(F)(F)F 5015364 BAPVSJWVFWNOAD-UHFFFAOYSA-N 409.393 3.421 0 40 HGAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CSc1nnc(Cc2ccccc2)n1C 5169853 GJWQABODACYCHB-HNNXBMFYSA-N 421.526 3.262 0 40 HGAB O=C(OCCN1CCCC1=O)c1cc(-c2ccccc2)c(N2CCOCC2)s1 39984262 WIASHFYUIFIAFD-UHFFFAOYSA-N 400.500 3.031 0 40 HGAB C[C@@H](Oc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl)C(=O)NCCCO 5204928 QNWBFBVTDVYWLC-CYBMUJFWSA-N 401.846 3.379 0 40 HGAB O=C(/C=C/c1ccco1)Nc1nc2ccc(S(=O)(=O)N3CCCC3)cc2s1 9009671 UTOAZRVOSAZEGE-VMPITWQZSA-N 403.485 3.326 0 40 HGAB CN(C)C(=O)[C@@H]1CN(C(=O)COc2ccc(Cl)cc2Cl)c2ccccc2O1 14197609 CKNJVRDAKBJDOT-KRWDZBQOSA-N 409.269 3.255 0 40 HGAB CCN(CC)C(=O)CN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1OC 408624353 SPFODBKZMVBYGX-UHFFFAOYSA-N 424.950 3.408 0 40 HGAB C[C@H](CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)c1ccccc1 5612079 FDVYKXNGJPFVDT-MRXNPFEDSA-N 406.935 3.367 0 40 HGAB COc1ccc(OC)c(-c2noc(CN(C3CC3)S(=O)(=O)c3ccccc3)n2)c1 6758981 RNEJWPFIMFFESM-UHFFFAOYSA-N 415.471 3.107 0 40 HGAB COc1ccc(-c2noc(CN(C)C(=O)COc3ccc(Cl)cc3)n2)cc1OC 4943722 URHKQFFVCMQMMB-UHFFFAOYSA-N 417.849 3.445 0 40 HGAB CCOC(=O)[C@@H]1CCCN(Cc2nc(-c3ccc(OC(F)F)c(OC)c3)no2)C1 15259941 BBHXHQLSGKTFDD-CYBMUJFWSA-N 411.405 3.122 0 40 HGAB CS(=O)(=O)N(Cc1ccccc1F)c1ccc(OCC(=O)NC2CCCC2)cc1 22233399 SLRAEFOFVQCAPY-UHFFFAOYSA-N 420.506 3.230 0 40 HGAB O=C([C@@H](Sc1nnc(NCc2ccco2)s1)c1ccccc1)N1CCOCC1 7161977 LQMPXAMMAIGJIK-INIZCTEOSA-N 416.528 3.435 0 40 HGAB CC[C@H](C)Nc1nnc(SCC(=O)NCC(=O)Nc2cccc(C)c2C)s1 9256101 GMLSFQSRIADNIK-LBPRGKRZSA-N 407.565 3.212 0 40 HGAB O=C(COc1ccccc1)Nc1ccccc1C(=O)NCc1ccc2c(c1)OCO2 7758405 QJONHLHMDYKFSG-UHFFFAOYSA-N 404.422 3.363 0 40 HGAB Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)O[C@@H](C)c1nnc(-c2ccccc2)o1 7837658 QFXCRSFPYUAEPM-AWEZNQCLSA-N 415.471 3.213 0 40 HGAB CC(C)NC(=O)NC(=O)[C@@H](C)Sc1nnc(-c2c[nH]c3ccccc23)n1C1CC1 7872859 REHKJRZRPXLZQS-GFCCVEGCSA-N 412.519 3.476 0 40 HGAB CC(C)c1ccc(/C=c2\sc3nc([C@H]4COc5ccccc5O4)nn3c2=O)cc1 16742068 MDYRSFXJPFZSFL-NPBUNYCVSA-N 405.479 3.335 0 40 HGAB COC(=O)c1cc(OC)c(OC)cc1NCC(=O)N1CCC[C@@H]1c1cccs1 9313785 WOXRQHLFGLGPHP-OAHLLOKOSA-N 404.488 3.328 0 40 HGAB COC(=O)CNC(=O)[C@@H](C)OC(=O)c1sc2cc(C(F)(F)F)ccc2c1Cl 95349982 ZRHVUQJYQHIAKW-SSDOTTSWSA-N 423.796 3.408 0 40 HGAB CC(=O)N(C)c1ccc(S(=O)(=O)N(CC(C)C)C[C@H](O)c2ccccc2)cc1 95461918 GZDCXRBMRUIPPG-NRFANRHFSA-N 404.532 3.050 0 40 HGAB C[C@@H]1Cc2cc(S(=O)(=O)NCc3nccn3Cc3ccccc3)cc(Cl)c2O1 95461761 JLUBEEIVGMSEHB-CQSZACIVSA-N 417.918 3.387 0 40 HGAB C[C@H]1CN(C(=O)c2cccc(N3CCOC3=O)c2)[C@H](C)CN1C(=O)OC(C)(C)C 95459274 HSOHQRAESMJWDZ-CABCVRRESA-N 403.479 3.113 0 40 HGAB O=C(CC12CC3CC(CC(C3)C1)C2)NCC(=O)N1C[C@@H](O)C[C@@H]1c1ccc(F)cc1 95455870 LCIMDQYPDFANBO-ONZSLIJNSA-N 414.521 3.183 0 40 HGAB CCCCc1ccc(NC(=O)Cn2ccn(-c3ccccc3OCC)c(=O)c2=O)cc1 67256745 JEWZDHJPUDRVFG-UHFFFAOYSA-N 421.497 3.379 0 40 HGAB CC(C)n1cnc([C@H]2CN(Cc3cnn(C(C)C)c3)C[C@@]23CCN(CC2CC2)C3=O)c1 306136923 QGVMCKNBZDVLLY-QPPBQGQZSA-N 424.593 3.470 0 40 HGAB Cc1cc(-c2c3c(nc4c2c(=O)n(C)c(=O)n4C)-c2ccccc2[C@H]3O)cc(C)c1C 408982187 IWPKAXBQRRBRRP-JOCHJYFZSA-N 413.477 3.287 0 40 HGAB CCOCCCNC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)cc1 409409460 PEKXQAASVFMFPC-UHFFFAOYSA-N 410.923 3.322 0 40 HGAB CCOc1ccc(NC(=O)c2ccc(OCC)c(S(=O)(=O)NC(C)C)c2)cc1 408701100 RJFKCEUMMRBTPQ-UHFFFAOYSA-N 406.504 3.423 0 40 HGAB Cc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3C)C2)cc1 408660279 NISUFCMPEHZFCA-HNNXBMFYSA-N 400.862 3.492 0 40 HGAB NC(=O)[C@H](NC(=O)Cc1cc2cc(Cl)ccc2[nH]1)c1cccc(Br)c1 1527236351 VQAQDNAKHGBTNV-QGZVFWFLSA-N 420.694 3.469 0 40 HGAB COC(=O)C1(c2ccc(S(=O)(=O)N3CCC[C@@H]3Cc3ccc(F)cc3)cc2)CC1 539552425 JBCRLPPJIDDPGI-LJQANCHMSA-N 417.502 3.426 0 40 HGAB CC(=O)Nc1cccc(-c2nccnc2[C@H]2CCCN(C(=O)C3CCN(C)CC3)C2)c1 72359212 FWVRJNWWLNYOLN-FQEVSTJZSA-N 421.545 3.150 0 40 HGAB CC(=O)N1CCCc2cc(S(=O)(=O)NCCOc3ccccc3C(C)C)ccc21 78923616 CSDFSBRYLADTMM-UHFFFAOYSA-N 416.543 3.466 0 40 HGAB COCCNC(=O)c1ccc(C2CCN(C(=O)C(C)(C)c3ccc(C)cc3)CC2)nc1 72374424 UJDAQXMCGJKZJO-UHFFFAOYSA-N 423.557 3.450 0 40 HGAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1cn2c3c(cccc3c1=O)C[C@H]2C 33089137 TYMJSXQOYHRXMQ-GFCCVEGCSA-N 422.437 3.175 0 40 HGAB O=c1oc2c3c(ccc2cc1-c1ccccc1)OCN(CCCN1CCOCC1)C3 13723254 VHSIOFQPANJZAF-UHFFFAOYSA-N 406.482 3.334 0 40 HGAB biogenic Cc1sc2nc(-c3cccs3)nc(N3CCCN(CC(N)=O)CC3)c2c1C 40155533 XYPQBMVCLOGAQS-UHFFFAOYSA-N 401.561 3.034 0 40 HGAB Cc1cc(N2C[C@@H](C)C[C@H](C)C2)nc(NC(=S)NCc2ccc3c(c2)OCO3)n1 226013391 DENFYGCAYUTFKU-KBPBESRZSA-N 413.547 3.483 0 40 HGAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@@H](c1ccccc1)N(C)S(C)(=O)=O 224937528 QRXNHYRPAAYRBB-UYAOXDASSA-N 416.543 3.346 0 40 HGAB CN(C(=O)COc1ccc(S(=O)(=O)NC2CCCCC2)cc1)c1ccccc1 222629453 IZEYAGNXGIIUBC-UHFFFAOYSA-N 402.516 3.339 0 40 HGAB COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)Nc1cccc(OC(C)C)c1 224512557 IQFKMVUGUNVTJF-UHFFFAOYSA-N 420.531 3.304 0 40 HGAB COc1ccccc1-n1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1CCN(C)C 223259444 OWLCDXYZENVUOK-FGZHOGPDSA-N 421.570 3.415 0 40 HGAB CCc1ccc(OCCNC(=O)[C@@H](C)N(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1 223894701 SLQKIWJNDNCRAY-GOSISDBHSA-N 418.559 3.216 0 40 HGAB CCCn1c(=O)sc2cc(S(=O)(=O)Nc3cccc(NC(C)=O)c3)ccc21 225730905 VMOQYTBGEYONQE-UHFFFAOYSA-N 405.501 3.232 0 40 HGAB COc1cccc2nc(C[C@H]3CN(C(=O)Cc4ccccc4)CC[C@H]3CC(=O)O)[nH]c12 514289632 XHAQGHRZFGWLMQ-ROUUACIJSA-N 421.497 3.296 0 40 HGAB biogenic,in-vitro COc1cc2c(cc1OC)[C@@H](CC(=O)O)N(C(=O)c1cc3ccccc3n1C)CC2 579067505 YVPHVIGZIFGDBI-GOSISDBHSA-N 408.454 3.410 0 40 HGAB CCc1nnc(Nc2cccc([C@@H]3CN(C(=O)c4oc(C)nc4C)CCO3)n2)s1 257258042 KSDZBRAEFKMSSR-AWEZNQCLSA-N 414.491 3.058 0 40 HGAB NC(=O)C[C@H]1CN(C(=O)Cc2c(F)cccc2Cl)CC[C@@H]1Oc1ccc(F)cc1 257290757 QEEZASCQNVGYGU-DJJJIMSYSA-N 422.859 3.332 0 40 HGAB Cc1ccc(=O)n(CC(=O)N2CCCC[C@H]2c2ncc(Cc3cccc(F)c3)o2)n1 257303052 SFPCLTJGMGSPFL-IBGZPJMESA-N 410.449 3.023 0 40 HGAB Cc1cccc(N(CCCC(=O)N[C@H](C)COc2ccccc2)S(C)(=O)=O)c1C 260763860 IJURBICDOFXNEJ-GOSISDBHSA-N 418.559 3.433 0 40 HGAB Cc1ccc([C@H](CN2CCOCC2)NC(=O)Cc2csc(C(C)(C)C)n2)cc1 588358283 AZIBRNLWAZSVHH-IBGZPJMESA-N 401.576 3.481 0 40 HGAB COC(=O)c1sc(S(=O)(=O)Nc2ccc(C3CC3)cc2)c(C(=O)OC)c1C 611305061 GJSXENIMKKKYRX-UHFFFAOYSA-N 409.485 3.308 0 40 HGAB CN1CCc2[nH]c3ccc(C(=O)N4CCC[C@@H](c5nnc6ccccn56)C4)cc3c2C1 646901559 FYNHKGANUIHBPG-QGZVFWFLSA-N 414.513 3.218 0 40 HGAB O=C(Cc1ccc2c(c1)CCCO2)N1CC2(C[C@H](OCC3CCOCC3)CS2)C1 575404239 MXBDKEXRMSSUKG-FQEVSTJZSA-N 417.571 3.084 0 40 HGAB Cn1ccnc1COc1ccc(CN2CCC[C@](O)(COc3ccccc3)C2)cc1 585271074 QMYIWFHHKVLDBQ-XMMPIXPASA-N 407.514 3.405 0 40 HGAB Cc1cccc(Nc2cc([C@H]3CCCN(C(=O)/C=C/c4cnc[nH]4)C3)nc(C)n2)n1 585292234 YWIBTCVJHDUDMM-IJDCCNJMSA-N 403.490 3.375 0 40 HGAB COCCOc1nc(-c2ccccc2)nc2c1CCN(C(=O)c1ccsc1)CC2 585111214 JMLDQQXPFIVTEK-UHFFFAOYSA-N 409.511 3.471 0 40 HGAB CCn1c(SCc2ccccc2)nnc1[C@H]1CCCN(C(=O)N2CCOCC2)C1 5001408 VRWPRRUVMIJVEJ-SFHVURJKSA-N 415.563 3.222 0 40 HGAB CC[C@@H](C(=O)Nc1cc(C(=O)OC)ccc1C)N(c1ccc(F)cc1)S(C)(=O)=O 13715540 QBQBYELIVCFBBW-SFHVURJKSA-N 422.478 3.104 0 40 HGAB O=C([C@H]1CCCCO1)N1CCC[C@@H](c2cc3nc(C(F)(F)F)ccc3c(=O)[nH]2)C1 19341771 NYIIZPIKUAUKLT-MLGOLLRUSA-N 409.408 3.217 0 40 HGAB CCOc1ccc(CC(=O)N2CCC(c3nc(-c4nccs4)cc(=O)[nH]3)CC2)cc1 19532817 VDJCEPLRWIWYKE-UHFFFAOYSA-N 424.526 3.241 0 40 HGAB COCCC(=O)N[C@H](c1ccccn1)[C@H]1CCCN(Cc2cccc(F)c2F)C1 19593237 HYCNNXBSAHFYPV-JTSKRJEESA-N 403.473 3.466 0 40 HGAB CCN(CC)S(=O)(=O)N1CC[C@H](c2cc(COc3ccc(Cl)cc3)[nH]n2)C1 19704526 OPPSCBUAWRMUDV-AWEZNQCLSA-N 412.943 3.018 0 40 HGAB CC(=O)N[C@H]1C[C@@H](c2ccc(NC(=O)c3cn4cccnc4n3)cc2)O[C@@H](C(C)C)C1 19711754 XXAWUUJUUHZEIO-NRSPTQNISA-N 421.501 3.362 0 40 HGAB Cc1sc2ncnc(N3CCC(C(=O)NC[C@H](C(C)C)N(C)C)CC3)c2c1C 19716436 OHWSPADFCHOWCO-QGZVFWFLSA-N 403.596 3.227 0 40 HGAB CCOc1ccc(Br)cc1/C=C1/SC(=O)N(CC(=O)OC)C1=O 205817026 RKBZIVQCCPOPHO-KPKJPENVSA-N 400.250 3.057 0 40 HGAB Cc1nc([C@@H]2CCCN(C(=O)c3ccccc3)C2)nc(C)c1CC(=O)N1CCCC1 1848356690 IZVVOFNKPBHLKM-HXUWFJFHSA-N 406.530 3.278 0 40 HGAB C[C@H](OC(=O)CCNC(=O)c1ccc(F)cc1F)C(=O)c1c[nH]c2ccccc12 22443969 WZGIUWROEDJIAV-LBPRGKRZSA-N 400.381 3.381 0 40 HGAB O=c1c2cc(N3CCOCC3)ccc2[nH]c(=S)n1CCCN1CCCCCC1 2976068 UMQMATRBVWSLID-UHFFFAOYSA-N 402.564 3.162 0 40 HGAB COc1ccc(C(=O)NCCn2nc(-c3ccc(Cl)cc3)ccc2=O)cc1OC 9844192 MLXUCJLAZILDNC-UHFFFAOYSA-N 413.861 3.011 0 40 HGAB COc1ccc(NC(=O)C[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)c(OC)c1 11612590 YPGGEYROUCZDQG-INIZCTEOSA-N 418.515 3.276 0 40 HGAB Cc1ccc(S(=O)(=O)Nc2nc(CCC(=O)NCc3ccco3)cs2)cc1 16848596 LZMPYFIDPDLUIK-UHFFFAOYSA-N 405.501 3.094 0 40 HGAB O=C(c1ccc2ccccc2c1)N1CCC(Cn2nc(-n3cccn3)ccc2=O)CC1 1775969047 UYLUVILQSVKUBL-UHFFFAOYSA-N 413.481 3.135 0 40 HGAB COC(=O)Nc1ccc(S(=O)(=O)NC[C@H](O)c2ccc(-c3cccs3)o2)cc1 1775966893 MXWWQGHAVYZVRW-AWEZNQCLSA-N 422.484 3.198 0 40 HGAB COc1ccc2c(c1)c1nc(SCC(=O)Nc3ccc(C)cc3)n(C)c(=O)c1n2C 33287590 HQBMNUCWUXYWQQ-UHFFFAOYSA-N 422.510 3.473 0 40 HGAB CSc1nc(C)cc(N2CCN(c3ccc(NC(=O)C(C)(C)C)nc3)CC2)n1 2298053056 ZOQXSJSIOKFSDV-UHFFFAOYSA-N 400.552 3.213 0 40 HGAB O=C(CN1CCC[C@@H]1c1ccccc1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 10311211 URXVFFYQJHMSFX-OAQYLSRUSA-N 413.543 3.247 0 40 HGAB CS(=O)(=O)c1cccc(C(=O)N2CCN(Cc3csc4ccccc34)CC2)c1 32757154 BHABWSFDLLKZHY-UHFFFAOYSA-N 414.552 3.263 0 40 HGAB C[C@@H](OC(=O)c1cc(S(=O)(=O)N2CCCCC2)cn1C)c1ccc(F)cc1F 50069541 QKLQCAGQUARUMC-CYBMUJFWSA-N 412.458 3.396 0 40 HGAB CC(=O)N1CCc2cc(C(=O)N3CCN(CCSc4ccccc4)CC3)ccc21 40139417 CIVKSOVTHDQLQX-UHFFFAOYSA-N 409.555 3.146 0 40 HGAB COC(=O)CCCCCNC(=O)N1CCc2[nH]cnc2[C@H]1c1cccc(F)c1F 40288354 VEFVQXZCEFLLKY-LJQANCHMSA-N 406.433 3.078 0 40 HGAB NC(=O)[C@@H]1CC(C(=O)N[C@@H](c2ccccc2)c2cccs2)=NN1c1ccccc1 30864635 ITVOPAFUQFGZTG-ICSRJNTNSA-N 404.495 3.074 0 40 HGAB COc1cccc(N2CCN(C(=O)[C@H](C(C)C)N3Cc4ccccc4C3=O)CC2)c1 32093370 PZJXHYGPFCNUCV-QFIPXVFZSA-N 407.514 3.024 0 40 HGAB CC(C)N1CCN(C(=O)COc2ccc(-c3nc(-c4ccccc4)no3)cc2)CC1 32579015 TVFGWYGSRVBUKB-UHFFFAOYSA-N 406.486 3.335 0 40 HGAB Cc1cc(C)nc(SCc2nnc(SCC(=O)Nc3ccccc3)n2C)n1 882982 LRHAXKWQLDSWKC-UHFFFAOYSA-N 400.533 3.245 0 40 HGAB O=C(CN1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)Nc1cccc(O)c1 990743 XVCSLZJXRHEENL-ULBZPVTCSA-N 424.456 3.223 0 40 HGAB CC[C@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)OCN1C(=O)c2ccccc2C1=O 2330912 AJWKIWTXRIHDPR-HNAYVOBHSA-N 424.453 3.124 0 40 HGAB CC(C)(CSc1nnnn1-c1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1 2708597 GSOBIWJDWZUABD-UHFFFAOYSA-N 423.951 3.165 0 40 HGAB CC(=O)Nc1ccc(NC(=O)[C@@H](C)Sc2nnc(-c3ccc(C)cc3)n2N)cc1 3299919 QHDBETFRNIATJB-CYBMUJFWSA-N 410.503 3.045 0 40 HGAB CN(C)c1ccc(NC(=O)CSc2nnc(-c3cccc(Cl)c3)n2N)cc1 3472315 SKOSLHVKIVMXMC-UHFFFAOYSA-N 402.911 3.109 0 40 HGAB COC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(OC)c(Br)c2)c1 3581163 IDKILCCIOJOLTI-UHFFFAOYSA-N 414.277 3.354 0 40 HGAB COc1ccc([C@H]2[C@H](C(=O)NCc3ccccn3)c3ccccc3C(=O)N2C)cc1 3657844 QIJHYSCSIOGHEW-YADHBBJMSA-N 401.466 3.317 0 40 HGAB COc1ccc(-n2ccnc2SCC(=O)NCc2ccc(F)cc2)c(OC)c1 4248688 RCHORBZVNPEJIG-UHFFFAOYSA-N 401.463 3.437 0 40 HGAB COc1ccc2c(c1)[C@@H]1C[C@@](C)(NC(=O)[C@@H]1S(=O)(=O)c1ccc(C(C)C)cc1)O2 4316277 LXCBAGKGWZQIAG-DWLFOUALSA-N 415.511 3.373 0 40 HGAB COc1ccc(NC(=O)CCc2nc(-c3cc(OC)c(OC)c(OC)c3)no2)cc1 4384111 NCODCKICUHOANR-UHFFFAOYSA-N 413.430 3.342 0 40 HGAB CCN(C(=O)N[C@H]1CC(=O)N(c2ccc(OC)c(OC)c2)C1)c1ccc(OC)cc1 4479857 QFYORHYLTUREMD-HNNXBMFYSA-N 413.474 3.054 0 40 HGAB O=C1Oc2ccc(Br)cc2[C@H]2CC(=O)N(Cc3ccccc3)C(=O)[C@H]12 4653738 PIOOFNUGFUFAHD-RHSMWYFYSA-N 400.228 3.027 0 40 HGAB O=C1C[C@]2(CC(c3ccc(Br)cc3)=NO2)C(=O)N1c1ccc(F)cc1 5054509 WDBODQPCTLWCOC-GOSISDBHSA-N 403.207 3.415 0 40 HGAB COc1cccc(NC(=O)CSc2nnc(-c3cc(OC)cc(OC)c3)o2)c1 5435508 GNLYBFWVIVASSA-UHFFFAOYSA-N 401.444 3.493 0 40 HGAB CN(C)C(=O)CSc1nnc([C@@H](Cc2ccccc2)NC(=O)OC(C)(C)C)o1 6186813 LSIPGFNXZVWSMT-CQSZACIVSA-N 406.508 3.058 0 40 HGAB CCc1nnc(NC(=O)CSc2nnc(CNc3ccc(Cl)cc3)n2C)s1 6860926 CPZARONNPMICLM-UHFFFAOYSA-N 423.955 3.225 0 40 HGAB CC(=O)c1cccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)c1 7056988 ADGHPSCWAYZHFR-SFHVURJKSA-N 406.891 3.334 0 40 HGAB O=C(COC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1)NCc1cccs1 7537581 DOSUMDAIWQINFC-UHFFFAOYSA-N 420.918 3.113 0 40 HGAB CC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2ccccc2SCC(=O)N(C)C)c1C 7938818 WVEKCZYYTNFHKB-UHFFFAOYSA-N 416.499 3.054 0 40 HGAB Cc1c(C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)sc2ccccc12 7959248 WXUNXALLQSEVJQ-UHFFFAOYSA-N 418.515 3.496 0 40 HGAB O=C(CNC(=O)c1c[nH]c(=S)n1-c1ccccc1)Nc1ccc(F)c(F)c1F 8747533 LZTUCHRVHFWFGN-UHFFFAOYSA-N 406.389 3.321 0 40 HGAB O=C(CN1C(=O)[C@@H]2CCCN2C(=O)c2ccccc21)c1ccc(Br)cc1 8764292 JQFCDKCXRBHXBC-KRWDZBQOSA-N 413.271 3.283 0 40 HGAB biogenic COc1cc(NC(=O)Cn2ccn3nc(-c4ccc(C)cc4)cc3c2=O)cc(OC)c1 9321100 MGGSSPIPMOSMGM-UHFFFAOYSA-N 418.453 3.127 0 40 HGAB Cc1ccc(-n2ccnc(SCC(=O)NCc3ccc(F)cc3)c2=O)cc1F 9761456 PGHOZLBVLPCXBQ-UHFFFAOYSA-N 401.438 3.228 0 40 HGAB CCCCCOc1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)c2ccccc12 11565983 FIAOBTIGOIPGDE-UHFFFAOYSA-N 404.532 3.262 0 40 HGAB Cc1cc(=O)[nH]c(-n2nc(C3CC3)cc2NC(=O)c2ccc(C(F)(F)F)cc2)n1 12123332 JSEZCYOFLYBHPW-UHFFFAOYSA-N 403.364 3.413 0 40 HGAB Cc1cc(-c2snnc2[C@H]2CCCN(C(=O)COc3ccccc3F)C2)on1 12251971 XGZNBBFSPDQCEY-ZDUSSCGKSA-N 402.451 3.426 0 40 HGAB CCCn1c(N2CCN(C(=O)OCC)CC2)nc2sc3c(c2c1=O)CCCC3 12390499 IINDSNUDUOACOR-UHFFFAOYSA-N 404.536 3.025 0 40 HGAB COc1cccc(-n2ccnc2S[C@@H](C)C(=O)Nc2sccc2C(N)=O)c1 12520197 AHDTUVRARSSRDT-NSHDSACASA-N 402.501 3.161 0 40 HGAB COc1ccc([C@@H](CNC(=O)c2cccc(-n3cccc3)c2)N2CCOCC2)cc1 12553538 ZOMWJRYMPRTOQZ-HSZRJFAPSA-N 405.498 3.289 0 40 HGAB COc1ccc(C(C)=O)cc1CC(=O)N1CCN(Cc2nc3ccccc3s2)CC1 12568971 CKRZEEMRASIPOE-UHFFFAOYSA-N 423.538 3.394 0 40 HGAB O=S(=O)(Nc1cccc(-c2nnnn2C2CC2)c1)c1ccccc1Br 12585137 RBSFGELMNZASNP-UHFFFAOYSA-N 420.292 3.238 0 40 HGAB CN(C)[C@H](CNC(=O)c1ccccc1I)c1cccc(F)c1 12807828 FXLXVSXKJHREDJ-MRXNPFEDSA-N 412.246 3.463 0 40 HGAB O=C(O[C@H]1CCc2ccccc21)[C@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1 12852121 ZCUFJIQZNANXHE-LPHOPBHVSA-N 410.495 3.078 0 40 HGAB COc1ccc([C@@H](C)NC(=O)c2ccc3c(c2)C[C@H](C)N3S(C)(=O)=O)cc1F 12995332 RRPGQVMQCHHQKT-QWHCGFSZSA-N 406.479 3.036 0 40 HGAB O=C(C[C@H](C(=O)O)c1ccccc1)Nc1cc(C(F)(F)F)ccc1-n1cncn1 13467056 MDYSKOKEVHRAAM-AWEZNQCLSA-N 404.348 3.483 0 40 HGAB O=C(Nc1ccc(F)c(Cl)c1)c1nn([C@@H]2CCS(=O)(=O)C2)c2c1CCCC2 13730908 BYXYPXVSZOGKMN-GFCCVEGCSA-N 411.886 3.166 0 40 HGAB COc1ccc(CN(C)C[C@@H](O)COc2cccc(Br)c2)cc1OC 14245977 MTBPKQILBWFYII-MRXNPFEDSA-N 410.308 3.338 0 40 HGAB Cc1nnc(S[C@H](C)C(=O)N2CC(=O)Nc3cc(C(F)(F)F)ccc32)s1 16864694 SPKXJVLILDTDEB-SSDOTTSWSA-N 402.423 3.331 0 40 HGAB COc1ccc(NS(=O)(=O)c2ccc(CN3C(=O)c4ccccc4C3=O)cc2)cc1 16954227 SMWKHNSEYCYCHV-UHFFFAOYSA-N 422.462 3.292 0 40 HGAB Cc1ccc(CNC(=O)c2ccccc2NC(=O)COC(=O)c2cc(C)no2)cc1 17992602 WXAVOKOTVHNIKR-UHFFFAOYSA-N 407.426 3.017 0 40 HGAB O=C(COC(=O)c1ccccc1N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)c1ccc(F)cc1 17994343 TXPQXEINYGSLCV-YQMDMEMYSA-N 419.408 3.177 0 40 HGAB CN1CCN([C@@H](CNC(=O)COc2ccc3ccccc3c2)c2ccsc2)CC1 19358993 LVUXSKBPRYUSEJ-QFIPXVFZSA-N 409.555 3.385 0 40 HGAB COc1ccc(-c2cc3ncc4c(n3n2)C[C@@H]2CC[C@H]4N2CC(=O)OC(C)C)cc1 19450368 APVNUDFFBMMWPN-OXJNMPFZSA-N 406.486 3.418 0 40 HGAB CCn1ccnc1CN1CCC(c2nc(-c3ccc(OC)cc3)c(C(=O)NC)[nH]2)CC1 19699122 NJRCIJGSMKMRAF-UHFFFAOYSA-N 422.533 3.041 0 40 HGAB CCOCc1ccc(C(=O)N2CCc3nc(C4CCN(C)CC4)nc(NC)c3C2)cc1 19711374 BOVNBIBWWKWHHJ-UHFFFAOYSA-N 423.561 3.063 0 40 HGAB O=C(C[C@@H]1C(=O)N(CCCn2ccnc2)c2nc3ccccc3n21)Nc1ccccc1 19819461 YICSRVRSQWAXRZ-HXUWFJFHSA-N 414.469 3.240 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cc(F)ccc3C)C2)cc1C 20016815 OVHUUSVPIWZPOH-MRXNPFEDSA-N 420.506 3.491 0 40 HGAB CCCCCOc1ccc(/C=C2/SC(=O)N(CN3CCN(C)CC3)C2=O)cc1 20265959 BBVJBSBORAMWBE-XDJHFCHBSA-N 403.548 3.497 0 40 HGAB COC(=O)c1ccc2nc(NC(=S)NC(=O)c3ccc(OC)cc3)sc2c1 20412430 RFDLWCOEFVSXAQ-UHFFFAOYSA-N 401.469 3.218 0 40 HGAB COc1cccc(CCCNC(=O)CN(c2ccc(Cl)cc2C)S(C)(=O)=O)c1 22336552 UMCRIGBKZXRJJL-UHFFFAOYSA-N 424.950 3.172 0 40 HGAB O=S(=O)(NC[C@@H](c1ccsc1)N1CCOCC1)c1cccc2ccccc12 22767371 BXHLUPTXWFWNBW-IBGZPJMESA-N 402.541 3.253 0 40 HGAB O=C(NC[C@H](c1ccc(F)cc1)N1CCOCC1)c1cc(Cl)c2c(c1)OCCO2 23561601 RNCMZRJOQABVSB-GOSISDBHSA-N 420.868 3.054 0 40 HGAB Cc1ccc(N2C[C@H](C(=O)O[C@@H](C)c3nc4ccccc4c(=O)[nH]3)CC2=O)cc1F 26449570 WVSMJBLASFFQSB-UONOGXRCSA-N 409.417 3.028 0 40 HGAB Cn1ccnc1[C@@H](NC(=O)NC[C@H]1COc2ccccc2O1)c1ccc(Cl)cc1 29322316 YBAWSNKVBCVNGT-LPHOPBHVSA-N 412.877 3.302 0 40 HGAB Cc1nn(-c2ncnc3[nH]cnc23)c2c1[C@@H](c1cccc(Cl)c1)SCC(=O)N2 31810924 MQDJCLBEDARXFS-OAHLLOKOSA-N 411.878 3.275 0 40 HGAB CCN(CC)[C@@H](CNC(=O)C1CCN(C(=O)C2CC2)CC1)c1ccccc1Cl 32316534 CDYMQLKLUROQGS-FQEVSTJZSA-N 405.970 3.488 0 40 HGAB CCn1cc(-c2nnc(SCC(=O)Nc3cccc(Br)c3)o2)cn1 32604085 NEKBFXRKLWGRIV-UHFFFAOYSA-N 408.281 3.446 0 40 HGAB CNS(=O)(=O)c1ccc(CNC(=O)[C@H](C)Oc2ccc(-c3ccccc3)cc2)cc1 32818194 XIIUUMQTROAEHS-KRWDZBQOSA-N 424.522 3.345 0 40 HGAB COc1cc(NC(=O)c2cc(F)ccc2Br)ccc1NS(C)(=O)=O 32818605 VSCNVQUZJCUBDI-UHFFFAOYSA-N 417.256 3.221 0 40 HGAB Cc1nc(C(=O)OCc2ccc(C(=O)N3CCCC3)cc2)nn1-c1ccc(F)cc1 32828751 LNRXLMOBXDIJMK-UHFFFAOYSA-N 408.433 3.308 0 40 HGAB Cc1ccc(C(=O)N(CCO)CCCN2C(=O)c3cccc4cccc(c34)C2=O)cc1 33664466 SSSOLBGWBWEOJT-UHFFFAOYSA-N 416.477 3.269 0 40 HGAB Cc1nc(N)n2c(SCC(=O)N3CCCC[C@@H]3C)nnc2c1Cc1ccccc1 35315346 FFEJSINXAYYFIE-AWEZNQCLSA-N 410.547 3.099 0 40 HGAB C[C@]12C[C@H]3O[C@@]34[C@H]([C@@H]1CC[C@@]21CCC(=O)O1)[C@H](C(=O)O)CC1=CC(=O)CC[C@@]14C 36479006 FLTCRAGDAAVKPG-ALROZPJCSA-N 400.471 3.036 0 40 HGAB COc1ccc(NC(=O)CC[C@@H]2N=C(O)N([C@H](C)c3ccccc3)C2=O)cc1OC 36593598 QREZVFSLWIBXDU-PBHICJAKSA-N 411.458 3.309 0 40 HGAB O=C(NCc1ccc(OCC(F)(F)F)cc1)[C@H]1CSCN1C(=O)c1ccccc1 40040137 NNXHJXGQBVVSOL-QGZVFWFLSA-N 424.444 3.459 0 40 HGAB C[C@H]1C[C@H]1c1ccc(/C=C/C(=O)NCCCN2CCN(C(=O)OC(C)(C)C)CC2)o1 40119359 BRNMUYUTPMOACZ-KZRPNXHXSA-N 417.550 3.475 0 40 HGAB COc1ccc([C@@H](C)NC(=O)[C@H]2CCCN(S(=O)(=O)c3cccs3)C2)cc1 44904353 RHCJGNRHSQVNRK-ZBFHGGJFSA-N 408.545 3.035 0 40 HGAB C[C@H](C(=O)NC(C)(C)C)S(=O)(=O)Cc1csc(COc2ccc(F)cc2)n1 46156813 UQKLSAWDHNLHLR-GFCCVEGCSA-N 414.524 3.079 0 40 HGAB Cc1cc(C)cc(NC(=O)Cn2nc3ccc(-c4ccc(C)c(C)c4)nn3c2=O)c1 49399244 UPQZLFQXTKYGFT-UHFFFAOYSA-N 401.470 3.430 0 40 HGAB CC(C)CN1C[C@@H](C(=O)N[C@H](Cc2ccccc2)c2nc3ccccc3[nH]2)CC1=O 50941873 WVGFFIMHIJYJTK-GHTZIAJQSA-N 404.514 3.467 0 40 HGAB COc1cc(CNC(=O)[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)ccc1O 53800957 JPKMKHMERIDVRH-ZDUSSCGKSA-N 409.269 3.377 0 40 HGAB Cc1cc(NC(=O)CN2CCN(c3ccccc3O)CC2)ccc1Br 57292088 CMWFPYQOHHUZBZ-UHFFFAOYSA-N 404.308 3.224 0 40 HGAB O=C(c1cnc(N2CCN(C(=O)N3CCCCC3)CC2)c(Cl)c1)N1CCCCC1 60446168 GJRLRRYRVNIWMC-UHFFFAOYSA-N 419.957 3.089 0 40 HGAB CCOc1ccc(NC(=O)c2nnn(CC(=O)Nc3ccc(C)c(C)c3)c2C)cc1 67322218 LWNSTKMWTLHPJS-UHFFFAOYSA-N 407.474 3.493 0 40 HGAB CS(=O)(=O)c1ccc([C@H](O)Cn2nc(-c3ccccc3)c3ccccc3c2=O)cc1 69484910 KIYDHWZCUCMTGI-OAQYLSRUSA-N 420.490 3.201 0 40 HGAB CCc1c(C)sc2ncn([C@H]3CCCN(CC(=O)NCc4ccccc4)C3)c(=O)c12 72347729 UURASINWOOEKCF-SFHVURJKSA-N 424.570 3.282 0 40 HGAB CC(C)NC(=O)[C@]1(Cc2ccc(-c3cccnc3)cc2)CN(C(=O)C(C)C)CCO1 72389178 IAFSSYCRMKOCQM-DEOSSOPVSA-N 409.530 3.069 0 40 HGAB COc1cccc(CC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2OC)c1 89469952 FAMOZGNYVQGVMO-UHFFFAOYSA-N 418.515 3.060 0 40 HGAB O=C(Nc1ccccc1)c1ccccc1NS(=O)(=O)c1ccc2[nH]c(=O)oc2c1 95351580 OMIARYYPJFVSEV-UHFFFAOYSA-N 409.423 3.174 0 40 HGAB C[S@](=O)Cc1cccc(C(=O)N[C@H](CC(=O)O)c2ccc(Br)cc2)c1 95463869 MITTVKOSUVYJSK-PUAOIOHZSA-N 424.316 3.273 0 40 HGAB CCN(c1ccsc1C(=O)n1nc(C)cc1C)S(=O)(=O)c1ccc(OC)cc1 96511580 XGLQNOJSPLJPNG-UHFFFAOYSA-N 419.528 3.474 0 40 HGAB COc1ccc(CNC2=N[C@@H](c3ccc(SC)cc3)n3c(nc(C)cc3=O)N2)cc1 101983093 NAEFSZBGZRJXGM-HXUWFJFHSA-N 421.526 3.400 0 40 HGAB C[C@H]([C@@H]1C[C@H]2CC[C@H]1C2)N1C(=O)C(=O)N(CC(=O)Nc2ccc(F)cc2Cl)C1=O 104673207 FBHAHLLMZDWJOM-UHXUPSOCSA-N 421.856 3.033 0 40 HGAB C[C@@H]1Cc2ccccc2N1C(=O)CCCN(c1ccc(F)c(F)c1)S(C)(=O)=O 222802974 RFXJSNWSJLHISP-CQSZACIVSA-N 408.470 3.489 0 40 HGAB CCCC(=O)N(Cc1ccc(F)cc1)[C@@H](C)C(=O)NCc1ccc2c(c1)OCO2 222909006 KSLBSBBDRAZAPH-HNNXBMFYSA-N 400.450 3.388 0 40 HGAB Cc1ccc(-c2noc(CNS(=O)(=O)Cc3cccc(Br)c3)n2)cc1 223655774 LDYSDAIXWVYMPG-UHFFFAOYSA-N 422.304 3.427 0 40 HGAB Cc1cc(C(=O)NCCOc2ccccc2C(C)(C)C)ccc1NS(C)(=O)=O 223696447 OBBKDGWVGZMVJZ-UHFFFAOYSA-N 404.532 3.473 0 40 HGAB Cc1ccc(C)c(S(=O)(=O)Nc2cnc(N3CCN(c4ccccc4)CC3)nc2)c1 224276149 APCBUNLRUDUMOS-UHFFFAOYSA-N 423.542 3.221 0 40 HGAB CCOC(=O)[C@]1(CN)[C@H](c2ccc(Cl)cc2)[C@H]1S(=O)(=O)c1ccc(C)cc1 252516468 SRMQAWYJNWDINO-QWFCFKBJSA-N 407.919 3.096 0 40 HGAB COc1ccccc1-c1nc2sc(=Cc3ccccc3Br)c(=O)n2n1 254498438 DORSVZOXHSMNDU-UHFFFAOYSA-N 414.284 3.137 0 40 HGAB FC(F)(F)c1cccc(OCCc2cc([C@@H]3CN(Cc4ncc[nH]4)CCO3)n[nH]2)c1 257268987 MOBVOSFPDFHUKP-SFHVURJKSA-N 421.423 3.347 0 40 HGAB O=S(=O)(NCC(O)(c1cccs1)c1cccs1)c1cccc2nsnc12 390829261 XWQBAAYNVWWNSO-UHFFFAOYSA-N 423.566 3.029 0 40 HGAB CCOc1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(OCC)c(C)c2)cc1 408620935 KMJCEJBTRAQASP-HNNXBMFYSA-N 406.504 3.098 0 40 HGAB COc1ccccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2C)C1 408654897 GYHFOZJJFSBQQB-CQSZACIVSA-N 416.861 3.192 0 40 HGAB COc1ccc(-c2nnc(CN(C)C(=O)[C@H](C)Oc3ccccc3C)o2)cc1OC 408714915 YMMSHXDVAKXGAS-HNNXBMFYSA-N 411.458 3.488 0 40 HGAB O=C1[C@@H](NC(=O)C2(c3ccccc3)CCOCC2)CCN1c1ccc(F)c(Cl)c1 540763266 HIWVMJYUGRGMNO-IBGZPJMESA-N 416.880 3.449 0 40 HGAB COCC(=O)N1CCCCCCN(C)C(=O)c2ccccc2O[C@H]2CCCC[C@H]21 643582186 NVLISJSOCGRTHD-CTNGQTDRSA-N 402.535 3.498 0 40 HGAB Cc1ccc2nc(NC(=O)CN3C(=O)N[C@@]4(C[C@@H](C)CC(C)(C)C4)C3=O)sc2n1 1538103289 MOQYJVXSPOSBQU-PRWKNARSSA-N 415.519 3.075 0 40 HGAB COc1cc(CCNC(=O)Cc2noc3ccc(Br)cc23)ccc1O 1630326663 LHKKHRYLSYCUPJ-UHFFFAOYSA-N 405.248 3.206 0 40 HGAB CCN(Cc1ccncc1)C[C@@]1(O)CCCN(C(=O)c2cc3ccccc3[nH]2)CC1 1848354064 JALHTAKOVWRPEO-XMMPIXPASA-N 406.530 3.442 0 40 HGAB O=C([C@@H]1C[C@@H]1c1ccc(Cl)cc1)N1CC[C@H]2C[C@@H](CN3CCCOCC3)O[C@H]2C1 2056225571 RIYZQJUCHZKZHK-RXZUFOQRSA-N 418.965 3.172 0 40 HGAB COc1cc([C@H]2c3cc4c(cc3O[C@]3(O)CCC[C@H]23)OCO4)cc(OC)c1OC 1591342 CWOWDHSRSSJSHJ-VQUVXCFPSA-N 400.427 3.454 0 40 HGAB Cc1sc2nc(SCC(=O)NC(=O)NCC(C)C)n(CC(C)C)c(=O)c2c1C 3542962 XZNBVKBSJKRUDH-UHFFFAOYSA-N 424.592 3.305 0 40 HGAB CC(C)c1ccc(NC(=O)O[C@@H]2CO[C@@H]3[C@@H](NC(=O)c4cccs4)CO[C@H]23)cc1 4235668 LOTPVZPTKWDYPU-QFHJOOASSA-N 416.499 3.385 0 40 HGAB biogenic,in-vitro COc1ccc(Cn2ccnc2SCC(=O)NCc2ccc3c(c2)OCO3)cc1 4248784 GSZFMEJJQBQJCH-UHFFFAOYSA-N 411.483 3.077 0 40 HGAB COc1cccc(-n2nnc3c(=O)n(Cc4ccc(Cl)cc4Cl)cnc32)c1 4266869 CGBOJKUYDZBZPE-UHFFFAOYSA-N 402.241 3.341 0 40 HGAB Cc1sc2ncnc(SCC(=O)N[C@@H](Cc3ccccc3)C(=O)O)c2c1C 4278819 XZKHYMXWJYKUIT-AWEZNQCLSA-N 401.513 3.212 0 40 HGAB COc1cccc(OCC(=O)Oc2coc(CSc3nccc(C)n3)cc2=O)c1 4377318 IJUMCTFYXPULRI-UHFFFAOYSA-N 414.439 3.024 0 40 HGAB C[C@H](OC(=O)c1ccccc1NS(C)(=O)=O)C(=O)c1ccc(OC(F)F)cc1 4486692 HGRXFEQWWNGYNX-NSHDSACASA-N 413.398 3.088 0 40 HGAB COC(=O)c1cc(NC(=O)COc2ccc(Cl)c(C)c2)ccc1N1CCOCC1 4749000 UPHYENQMMQYHNE-UHFFFAOYSA-N 418.877 3.289 0 40 HGAB CC[C@H](C)NC(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(C)cc1 4905540 SIRWAYAFXCEVTL-INIZCTEOSA-N 420.531 3.122 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccc(Cl)nc1 5558973 VLUFFDDTCQLJLF-UHFFFAOYSA-N 409.895 3.171 0 40 HGAB O=c1[nH]c(CSc2nc3ccccc3c(=O)n2C[C@H]2CCCO2)nc2ccccc12 6446930 BGFYVQYFIUGQHA-CQSZACIVSA-N 420.494 3.104 0 40 HGAB CCOC(=O)C(=O)Nc1cc(OCC)c(NC(=O)c2ccccc2)cc1OCC 6600305 MTEOYDAVZFJJHH-UHFFFAOYSA-N 400.431 3.238 0 40 HGAB Cc1ccc(Cl)cc1NC(=O)[C@H](C)Sc1ccc(S(=O)(=O)N(C)C)cn1 7190612 ZATAFURLZKLZKC-LBPRGKRZSA-N 413.952 3.413 0 40 HGAB Cc1ccc([C@]2(C)NC(=O)N(C[C@H](O)COc3cccc4ccccc34)C2=O)cc1 7201120 ARMMEFOMPPSBKE-CYFREDJKSA-N 404.466 3.355 0 40 HGAB CCC(=O)N(c1nnc(SCc2nc3c(C)cccc3c(=O)[nH]2)s1)C1CC1 7209514 YCTGKEHDTCEAEB-UHFFFAOYSA-N 401.517 3.281 0 40 HGAB COc1cccc(NC(=O)COc2ccc(C(=S)N3C[C@@H](C)O[C@H](C)C3)cc2)c1 8222673 KSTSBDBDMVPGMC-HZPDHXFCSA-N 414.527 3.497 0 40 HGAB COc1cccc(CNC(=O)c2cccc(CN3C(=O)c4ccccc4C3=O)c2)c1 8379068 MGOGEBJUIBFPNK-UHFFFAOYSA-N 400.434 3.421 0 40 HGAB COc1ccc(CCNC(=O)Cc2c(C)c3c(O)cc(C)cc3oc2=O)cc1OC 8491013 KGABEXLNBIUMFA-UHFFFAOYSA-N 411.454 3.034 0 40 HGAB biogenic O=C(c1ccc(N2CCCCC2=O)cc1)N1CCC(C(=O)N2CCCCCC2)CC1 9337502 MOQUTWMFPGQZRS-UHFFFAOYSA-N 411.546 3.458 0 40 HGAB CCOc1ccc2ccccc2c1C(=O)Nn1cnc2c(cnn2C(C)(C)C)c1=O 10250842 ISHVTBLRXJJFCB-UHFFFAOYSA-N 405.458 3.284 0 40 HGAB CCOC(=O)c1cccc(NC(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)c1 10441036 JTFXIGOYKLQVJV-UHFFFAOYSA-N 418.515 3.391 0 40 HGAB C[C@H]1CCCN(C(=O)CN(c2ccc(OCc3ccccc3)cc2)S(C)(=O)=O)C1 10541562 JWXCKKGFLZDLIG-SFHVURJKSA-N 416.543 3.290 0 40 HGAB CN(CCOc1ccccc1F)C(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 10998798 JLVBXHAQPFFOPF-UHFFFAOYSA-N 402.441 3.354 0 40 HGAB COc1ccc(NC(C)=O)cc1NC(=O)CCCn1nc(-c2ccccc2)ccc1=O 11693297 MYMPGADOHCLXKW-UHFFFAOYSA-N 420.469 3.296 0 40 HGAB Cc1cc(-c2cncnc2[C@H]2CCCN(C(=O)c3ccc(Cn4cccn4)o3)C2)on1 12128134 XYOGNGPBUYQCAB-INIZCTEOSA-N 418.457 3.298 0 40 HGAB CCc1c(C)nc2cc(-c3cc(C)on3)nn2c1NCCCNC(=O)c1ccccn1 12276310 MMYXRYLMCYTGCC-UHFFFAOYSA-N 419.489 3.191 0 40 HGAB COc1ccc(Br)cc1/C=c1\sc2nnc(-c3ccccc3)n2c1=O 12371070 NCQWAWXQXZFRLV-GDNBJRDFSA-N 414.284 3.137 0 40 HGAB O=C1COc2ccc(S(=O)(=O)Nc3ccccc3SCC(F)(F)F)cc2N1 12521451 UMYLPOQOKYBPNP-UHFFFAOYSA-N 418.418 3.473 0 40 HGAB COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H]2C[C@H](NCCO)C[C@@H](c3ccccc3)N12 12603086 MKISYXAMDJIFRC-WIQPIVSASA-N 419.525 3.094 0 40 HGAB biogenic,in-vitro C[C@H]1CN(Cc2csc(NC(=O)c3ccc(C(F)(F)F)nc3)n2)C[C@H](C)O1 12791543 IOXAEQVJTVYMJX-QWRGUYRKSA-N 400.426 3.418 0 40 HGAB C[C@@H]1C(=O)N(C[C@@H](O)COc2cccc(Br)c2)C(=O)N1c1ccccc1 12982512 GXWCGZOJEHMJNJ-CZUORRHYSA-N 419.275 3.046 0 40 HGAB O=C(CN1CCc2ccccc2C1)Nc1cc(C(F)(F)F)ccc1-n1cncn1 13038826 FVBXTRWVHPKJPR-UHFFFAOYSA-N 401.392 3.283 0 40 HGAB CS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1sccc1-c1nc2ccccc2s1 16974924 NZVPYGDRHCNHAJ-CYBMUJFWSA-N 407.542 3.387 0 40 HGAB Cc1nnc2sc(-c3ccc(NC(=S)NC(=O)Cc4ccccc4)cc3)nn12 17088005 LSKTUSXAYAMKKA-UHFFFAOYSA-N 408.512 3.217 0 40 HGAB CCCS(=O)(=O)N1CCCc2ccc(NC(=O)c3ccc(OC)c(OC)c3)cc21 17286572 ZBMUJEXNBFEMBB-UHFFFAOYSA-N 418.515 3.449 0 40 HGAB Brc1cc(CNCc2ccccc2CN2CCOCC2)cc2c1OCO2 17318169 ZHELQCFLLIIQPC-UHFFFAOYSA-N 419.319 3.300 0 40 HGAB Cc1cc2ccccn2c1C(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c1 17885229 OPPYMRDZZJWNSV-CALCHBBNSA-N 412.511 3.277 0 40 HGAB CC(=O)N1CCC[C@@H](c2cc(=O)[nH]c(C3CCN(CC4CCCCC4)CC3)n2)C1 19017005 WDBZVHSSBJSJOR-HXUWFJFHSA-N 400.567 3.256 0 40 HGAB Cc1cccc(N2CCN([C@H](c3ccncc3)c3nnnn3C(C)(C)C)CC2)c1C 19235633 XAEZKYMFHGGVPL-OAQYLSRUSA-N 405.550 3.352 0 40 HGAB COc1ccc(CN2CCO[C@H](c3nc(-c4ccccc4)no3)C2)c(OC)c1OC 19552866 YJIGUKPCPNNAEZ-SFHVURJKSA-N 411.458 3.336 0 40 HGAB CC(=O)N1CC[C@](Cc2cc(-c3ccccc3)no2)(C(=O)NCc2cccc(C)n2)C1 19703536 UKXLFJSAKXOFAC-XMMPIXPASA-N 418.497 3.143 0 40 HGAB Cc1nc(CC(=O)N2CCC(c3ccc(C(=O)NC4CCCC4)cn3)CC2)cs1 19705875 RMLJGBHIBFGIGY-UHFFFAOYSA-N 412.559 3.468 0 40 HGAB CCOc1ccc([C@H](C)NC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)cc1 20107280 TZVBZISRCKQCTA-AWEZNQCLSA-N 410.923 3.382 0 40 HGAB Cc1cn2c(=O)cc(CSc3nnc(NC(=O)c4ccccc4)s3)nc2s1 20984363 KYSBWKIMLPKNGU-UHFFFAOYSA-N 415.525 3.461 0 40 HGAB COc1ccc(-c2cc(C(=O)NC[C@@H](c3ccccc3)N3CCOCC3)no2)cc1 21805409 SHQLSLNAHNKVDQ-NRFANRHFSA-N 407.470 3.154 0 40 HGAB CC[C@@H](CNC(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)noc2C)C1)c1ccccc1 21840713 NPLCNRXUULGKEM-HKUYNNGSSA-N 419.547 3.002 0 40 HGAB CC(C)Oc1cccc(CNC(=O)c2ccc(CS(=O)(=O)N3CCCC3)cc2)c1 22530925 IUEBJBKRAJAYJS-UHFFFAOYSA-N 416.543 3.329 0 40 HGAB CCOC(=O)N1CCC(NC(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)CC1 24471499 JGWDYHOOUJHZSI-UHFFFAOYSA-N 419.485 3.285 0 40 HGAB O=C(Nc1ccc(C(=O)Nc2ccc(N3CCOCC3)cn2)cc1)c1ccccc1 24976146 HJEOXUUTJYASKP-UHFFFAOYSA-N 402.454 3.423 0 40 HGAB O=C(OCCN1C(=O)c2ccccc2C1=O)c1cccnc1SCC(F)(F)F 25958062 ZYUBGFILZQCIHM-UHFFFAOYSA-N 410.373 3.189 0 40 HGAB COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C(=O)N2CCO[C@@H](C)C2)c1 29789645 RGWWIDCVUWJBTC-INIZCTEOSA-N 407.470 3.417 0 40 HGAB COCCOc1ccc(C(F)(F)F)cc1NC(=O)c1n[nH]c(=O)c2ccccc12 30013019 JGDBXBCOHJKUAH-UHFFFAOYSA-N 407.348 3.219 0 40 HGAB O=C(CCN1CCN(C(=O)c2ccco2)CC1)N[C@@H](c1ccccc1)c1cccs1 30146644 ZXOLYKXPBXQISI-QFIPXVFZSA-N 423.538 3.395 0 40 HGAB C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)c1ccc(OC[C@H]2CCCO2)cc1 32753852 DGWPZQMYUXQEKN-OXJNMPFZSA-N 417.527 3.481 0 40 HGAB Cc1ccc(CNC(=O)N2CCNC(=O)[C@H]2c2c(C)nn(-c3ccccc3)c2C)cc1 32754906 APKAEKMMHZEEKL-JOCHJYFZSA-N 417.513 3.180 0 40 HGAB COc1ccc(O[C@@H](C)C(=O)N[C@@H](CCn2ccnc2)c2nc3ccccc3[nH]2)cc1 32933448 GICDBXPTSXWVMV-KKSFZXQISA-N 419.485 3.483 0 40 HGAB O=C(NCCSCc1ccsc1)C(=O)Nc1ccc2c(c1)OC(F)(F)O2 32937331 OKJPYYSOQIGJCC-UHFFFAOYSA-N 400.428 3.058 0 40 HGAB CC(C)(C)c1noc(CCCC(=O)N2CCN(C(=O)Nc3ccc(F)cc3)CC2)n1 33016669 KQGDPQBBUTURJS-UHFFFAOYSA-N 417.485 3.205 0 40 HGAB COc1cccc(NC(=O)[C@@H](c2ccccc2)N2CCN(C(=O)c3ccco3)CC2)c1 35349071 UUGOMHINCSTWDY-JOCHJYFZSA-N 419.481 3.426 0 40 HGAB Cc1nn(C(F)F)c(C)c1S(=O)(=O)N1CCN(c2cccc(Cl)c2)CC1 36614777 CIYZPWMOOQTYES-UHFFFAOYSA-N 404.870 3.059 0 40 HGAB O=C1C[C@H](c2ccccc2O)Cc2c1cnc1nc(NCc3ccco3)[nH]c(=O)c21 38829527 XLYKLTCGETYAQM-GFCCVEGCSA-N 402.410 3.142 0 40 HGAB CC(C)(C)c1nc2cc(NS(=O)(=O)c3c[nH]c(C(=O)N4CCCC4)c3)ccc2o1 46303784 PSLTUCQOQWXVSG-UHFFFAOYSA-N 416.503 3.490 0 40 HGAB CC(C)NC(=O)N1CCC(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)CC1 47072157 UXRAOPFSXUUHOV-IBGZPJMESA-N 415.534 3.341 0 40 HGAB Cc1cc(C)cc(-n2ccn(Cc3nc(-c4ccc(C)cc4C)no3)c(=O)c2=O)c1 49407713 UNPHGJLTFHJTOQ-UHFFFAOYSA-N 402.454 3.331 0 40 HGAB C[C@H](NC(=O)Oc1ccccc1)C(=O)OCC(=O)c1ccc(Br)cc1 52086130 BHDGGVSFKRGJGI-LBPRGKRZSA-N 406.232 3.352 0 40 HGAB Nc1c(Cl)cc(NS(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)cc1Cl 55574093 RGDVYZJYKYGOHX-UHFFFAOYSA-N 404.250 3.400 0 40 HGAB O=C(CCC(=O)N1CCN(c2ccc(F)cc2)CC1)Nc1nnc(C2CCC2)s1 61719129 HDWNDARDLNYEFV-UHFFFAOYSA-N 417.510 3.012 0 40 HGAB COc1cccc(CNC(=O)c2nnn(-c3cccc(OC)c3)c2-c2ccncc2)c1 67261748 FACTYOKSCVZJLC-UHFFFAOYSA-N 415.453 3.277 0 40 HGAB Cc1nc(-c2ccc(F)cc2)n(CC(=O)Nc2ccc(Cl)cc2)c(=O)c1CCO 67300968 ANTBGCMLAQQATK-UHFFFAOYSA-N 415.852 3.185 0 40 HGAB CCSc1ncc(CN2CCC[C@@H](c3cc(=O)[nH]c(-c4cccnc4)n3)C2)cn1 72393183 ZVYKDHQWIPGYCJ-QGZVFWFLSA-N 408.531 3.114 0 40 HGAB COCCCn1c(=O)c2ccccc2n2c(SCCN(C)c3ccccc3)nnc12 79063378 KGYHMNPTJZNOKG-UHFFFAOYSA-N 423.542 3.309 0 40 HGAB CNS(=O)(=O)c1ccc(C(=O)N2CCc3c(Cl)cc(Cl)cc3[C@H]2C)o1 84718155 CXZROTAEMSFEDM-SECBINFHSA-N 403.287 3.254 0 40 HGAB O=C(Nc1ccc(C(F)(F)F)cc1)N1CCCSC[C@H]1CN1CCOCC1 90609196 VSRCVTIPHCBWBF-MRXNPFEDSA-N 403.470 3.377 0 40 HGAB O=C1N[C@@]2(C[C@H]3CC[C@H]2C[C@@H]3C(=O)NC[C@H]2Cc3ccccc3O2)Nc2ccccc21 100117992 DRHNZLKKBDZOQB-ZSEKMKFMSA-N 417.509 3.094 0 40 HGAB O=C(Cc1ccc2c(c1)CCCO2)N1[C@@H]2CC[C@@H]1CC(O)(c1ccc3c(c1)OCO3)C2 100773912 TXZMEJAPMOPNMO-WOJBJXKFSA-N 421.493 3.324 0 40 HGAB C[C@@H]1CCc2c(sc(NC(=O)[C@@H]3[C@@H](C(=O)O)[C@H]4C=C[C@H]3C4)c2C(=O)NC2CC2)C1 102339943 NMGHWFRUXCRMIJ-BTDZUBADSA-N 414.527 3.227 0 40 HGAB O=C(O)c1cc(Cl)nc2c1c(I)nn2[C@@H]1CCCCO1 145724162 RCXFMHAFRDJYOB-QMMMGPOBSA-N 407.595 3.087 0 40 HGAB COC(=O)C[C@H](NC(=O)[C@H]1CCCC[C@@H]1C(=O)O)c1ccccc1Br 199410576 ZEALBCNCJJHGDT-HUBLWGQQSA-N 412.280 3.061 0 40 HGAB CCOC(=O)c1cccc(NC(=O)CCCN(c2cccc(C)c2)S(C)(=O)=O)c1 219620246 CWCIBGQTIVUPEQ-UHFFFAOYSA-N 418.515 3.357 0 40 HGAB COc1ccc([C@@H](C)NC(=O)CN(c2cccc(SC)c2)S(C)(=O)=O)cc1 220073440 XHZBPMHTLADRMW-CQSZACIVSA-N 408.545 3.061 0 40 HGAB CC[C@H](C(=O)NCc1ccc(Cl)cc1)N(c1cccc(OC)c1)S(C)(=O)=O 220615317 YIESMMGIJGZNAH-GOSISDBHSA-N 410.923 3.210 0 40 HGAB O=C(NCc1nc(-c2cccs2)no1)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 222600464 IMDVUHVUWVASDA-OAHLLOKOSA-N 400.479 3.466 0 40 HGAB CCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCc1ccc2c(c1)OCCO2 222980595 GDGGCMKECLYMEX-MRXNPFEDSA-N 414.477 3.083 0 40 HGAB C[C@@H](NC(=O)[C@@H](C)N(c1cccc(F)c1)S(C)(=O)=O)c1ccc2c(c1)CCC2 223236049 RVWUNRSGOGYUSD-HUUCEWRRSA-N 404.507 3.346 0 40 HGAB CNC(=O)COc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 223277196 XZZTVDCMTLNHSQ-UHFFFAOYSA-N 422.812 3.284 0 40 HGAB CCOc1ccc(NS(=O)(=O)c2nnc(NC(=O)c3ccccc3C)s2)cc1 224640356 UNIRQTCXKFEPGU-UHFFFAOYSA-N 418.500 3.298 0 40 HGAB CCOc1ccc(NS(=O)(=O)c2nnc(NC(=O)c3cccc(C)c3)s2)cc1 224963481 HWHUNVAQRKLIBG-UHFFFAOYSA-N 418.500 3.298 0 40 HGAB CCc1ccc([C@H](C)NC(=O)CCc2cc(S(=O)(=O)N(C)C)ccc2OC)cc1 225613189 ZBSDDNRBZZJDDK-INIZCTEOSA-N 418.559 3.318 0 40 HGAB COc1cccc(OC)c1C(=O)NC[C@H]1CC[C@H](c2nnc(-c3cnccn3)o2)CC1 257207523 BIDCSBJRBHZHGD-SHTZXODSSA-N 423.473 3.248 0 40 HGAB COc1cccc(Cc2cnc([C@H]3CCCN(C(=O)Cn4nc(C)cc4C)C3)o2)c1 257316568 VGDJFVCGYUFEQX-IBGZPJMESA-N 408.502 3.494 0 40 HGAB CC[C@@H](NC(=O)[C@H](c1ccccc1)N(C)S(C)(=O)=O)c1ccc(OC)c(C)c1 260762409 IMEOOUFWRDMDJL-QUCCMNQESA-N 404.532 3.204 0 40 HGAB CC(C)NC(=O)NC[C@@H]1N(C(=O)CCc2ccccc2)CCCC12CCN(C)CC2 306124549 BTMCKRXJDHJJMT-NRFANRHFSA-N 414.594 3.030 0 40 HGAB Cc1cccc(CN2C[C@H](c3cn(C(C)C)cn3)[C@]3(CCN(CC4CC4)C3=O)C2)n1 306136943 QHECZGXJEKIDMM-QPPBQGQZSA-N 407.562 3.396 0 40 HGAB CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccc(C)cc3)C2)cc1 408558265 QAXJNYAFYAQIGC-IBGZPJMESA-N 416.543 3.111 0 40 HGAB O=C(c1cn(-c2ccc(Cl)cc2)nn1)N1CCC(O)(Cc2cccc(F)c2)CC1 548440610 QYMLHFLNHRQERB-UHFFFAOYSA-N 414.868 3.270 0 40 HGAB COc1ccc(-c2cc(C(=O)N3CCN(Cc4cnn(C)c4)CC3)sc2C)cc1 592063887 AMOKJTFVIQBRPG-UHFFFAOYSA-N 410.543 3.424 0 40 HGAB COCC(=O)N1CCC2(CCCCc3ccccc3OCCCC(=O)N(C)C2)CC1 643564862 KDWXQRRIEWFLCG-UHFFFAOYSA-N 416.562 3.286 0 40 HGAB O=C(N[C@@H](c1ccccc1)c1nn[nH]n1)c1ccn(-c2ccc(Cl)cc2Cl)n1 678579589 POYAZMGTNVZWRC-INIZCTEOSA-N 414.256 3.212 0 40 HGAB COc1ccccc1CC(=O)N1CCC(Nc2cc(Cl)nc3cc(C)nn23)CC1 1559093442 AYGYUINFAJUFFZ-UHFFFAOYSA-N 413.909 3.345 0 40 HGAB COc1ccc(CCNC(=O)Nc2ccc3onc(CN4CCOCC4)c3c2)cc1 1775969890 QRCIVIOVSZXKTN-UHFFFAOYSA-N 410.474 3.033 0 40 HGAB CN(C1=NS(=O)(=O)c2ccccc21)C1CCN(Cc2ccc(F)cc2F)CC1 1888922151 YRKVMVGHDWFEIB-UHFFFAOYSA-N 405.470 3.010 0 40 HGAB O=C(CN1C(=O)c2ccccc2C1=O)Nc1ccccc1C(=O)c1ccccc1F 717586 MBNMSIIHODTPTM-UHFFFAOYSA-N 402.381 3.291 0 40 HGAB O=C(c1cnn2c(C(F)(F)F)cc(-c3ccc4c(c3)OCO4)nc12)N1CCCC1 862903 OHILVJRDWLTZLQ-UHFFFAOYSA-N 404.348 3.380 0 40 HGAB O=C(CSc1nnc(-c2cnccn2)n1Cc1ccco1)Nc1cccc(F)c1 2388280 KTSMCEOQAMCXTI-UHFFFAOYSA-N 410.434 3.246 0 40 HGAB COC(=O)c1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2C[C@H]2CCCO2)cc1 2439144 BLNCAYJJPOLDMN-UZLBHIALSA-N 419.433 3.304 0 40 HGAB COc1cc(CC(=O)OCC(=O)Nc2ccc(C)c(Cl)c2)cc(OC)c1OC 3217746 SXYCCXNCIAKMQT-UHFFFAOYSA-N 407.850 3.399 0 40 HGAB CCOC(=O)c1sc(NC(=O)C(=O)Nc2cc(C)c(C(=O)OCC)s2)cc1C 3258706 NMZIQXOGKUNLEX-UHFFFAOYSA-N 424.500 3.357 0 40 HGAB O=C(COc1ccc2ccc(=O)oc2c1)Nc1cccc(I)c1 3338605 XCEYGFKKBYLIFA-UHFFFAOYSA-N 421.190 3.415 0 40 HGAB CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)NCc2ccc(Cl)cc2)c1 3436372 SVVGIUAITAWICH-UHFFFAOYSA-N 421.950 3.121 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc3c(c2)OCO3)c1 3462141 YYKINQKRNVHOIY-UHFFFAOYSA-N 410.879 3.352 0 40 HGAB COc1cc(CN2C(=O)N(C(C)C)[C@H](N(O)C(=O)NC(C)C)C2(C)C)cc(OC)c1 3985293 OWIQHGURPOGCAH-GOSISDBHSA-N 422.526 3.264 0 40 HGAB biogenic CC(=O)N(C)C1(c2nnnn2CCOC(=O)Nc2ccc(Cl)cc2)CCCCC1 4017208 SAPYCNPRUDXFCN-UHFFFAOYSA-N 420.901 3.213 0 40 HGAB COc1ccc(C(=O)NCc2nnc(S)n2-c2cccc(Cl)c2)cc1OC 4059246 MGYAJVRPRVLUII-UHFFFAOYSA-N 404.879 3.157 0 40 HGAB CC(C)NC(=O)c1ccc2c(c1)N(CC(=O)Nc1ccccc1F)C(=O)C(C)(C)O2 4965803 YLXSIEAZIJGUIY-UHFFFAOYSA-N 413.449 3.107 0 40 HGAB COc1ccc(C(=O)N[C@H](C(=O)OCC(=O)Nc2ccc3c(c2)CCC3)C(C)C)cc1 5226996 ICJUQFAINRGBCX-QFIPXVFZSA-N 424.497 3.120 0 40 HGAB Cc1c(C(=O)OCc2nc(-c3ccccc3)no2)sc2nc3n(c(=O)c12)CCC3 5247044 CXDMMTLADGMGAD-UHFFFAOYSA-N 408.439 3.120 0 40 HGAB COc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 5680839 CQFCHDJBGOUZLP-UHFFFAOYSA-N 422.934 3.066 0 40 HGAB CCOC(=O)c1[nH]c2ccc(OC)cc2c1NS(=O)(=O)c1ccc(OC)cc1 5684003 MVFGBZTUQTVIQB-UHFFFAOYSA-N 404.444 3.163 0 40 HGAB CCOC(=O)c1c(NC(=O)COC(=O)c2ccc3c(c2)OCCO3)sc(C)c1C 5788118 HZDBBBNLTSJAFY-UHFFFAOYSA-N 419.455 3.108 0 40 HGAB COc1cc(/C=C/C(=O)O)cc(S(=O)(=O)Nc2ccccc2SC)c1OC 6008446 VLABWFJVVSVQAG-CMDGGOBGSA-N 409.485 3.324 0 40 HGAB Cc1ccc(NC(=O)CSc2ccccn2)c(S(=O)(=O)N2CCCCC2)c1 6167959 CIKMXNQNGHXIJK-UHFFFAOYSA-N 405.545 3.295 0 40 HGAB CC(=O)c1cccc(NC(=O)CN2C[C@@H](C(=O)N3CCCCC3)Oc3ccccc32)c1 7251682 WLDTZEHMYYRHKM-QFIPXVFZSA-N 421.497 3.108 0 40 HGAB O=C(C[C@@H]1Oc2ccccc2NC1=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1 8144238 JSXJNWORJRVGNI-IBGZPJMESA-N 417.469 3.400 0 40 HGAB C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3cccc(CO)c3)cc2)C1 8166199 JWXQDGJJAKSXGP-HOTGVXAUSA-N 402.516 3.098 0 40 HGAB CCCCN1C[C@H](C(=O)Nc2nnc(COc3ccc(Cl)cc3)s2)CC1=O 8271437 OXJDGOBUJNDLMW-GFCCVEGCSA-N 408.911 3.358 0 40 HGAB CCOc1ccccc1N1CCN(C(=O)c2ccc(OC)c(OC)c2OC)CC1 8291001 HVOKQHOZPPHOOM-UHFFFAOYSA-N 400.475 3.074 0 40 HGAB COc1ccc(CNC(=O)c2ccc3c(c2)CCN3S(=O)(=O)c2ccccc2)cc1 8613895 HCIHMHVURTZERO-UHFFFAOYSA-N 422.506 3.377 0 40 HGAB O=C(Nc1ccc(O)c(C(=O)O)c1)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O 9225093 HOCVJFSQXISOMO-UHFFFAOYSA-N 408.410 3.271 0 40 HGAB C[C@H](NC(=O)c1ccc2noc(-c3ccccc3)c2c1)C(=O)NCc1ccncc1 9423820 MZUNVAQUMGXNQS-HNNXBMFYSA-N 400.438 3.325 0 40 HGAB COc1ccc(C(=O)N2CC=C(c3ccccc3)CC2)cc1S(=O)(=O)NC1CC1 9548819 APIODJAEHBEFLL-UHFFFAOYSA-N 412.511 3.065 0 40 HGAB O=C(CSc1nnc(NC(=O)c2ccccc2)s1)Nc1ccc2c(c1)OCO2 9600104 ZMYJVZHEVNBBFU-UHFFFAOYSA-N 414.468 3.250 0 40 HGAB Cc1cc(NC(=O)CSc2nnnn2Cc2cccs2)n(-c2ccccc2)n1 9608226 DUBVORGAGBUFIT-UHFFFAOYSA-N 411.516 3.008 0 40 HGAB Cn1c(=O)n(Cc2cccc(Cl)c2)c(=O)c2c1nc1oc(-c3ccc(F)cc3)cn12 9789692 LFKFUIQGCNUCPA-UHFFFAOYSA-N 424.819 3.449 0 40 HGAB Cc1ccc(-n2c(=O)[nH]c3c(C(=O)Nc4cccc(Cl)c4)cn(C)c3c2=O)cc1 9820738 RLVKQGJQYFOHOR-UHFFFAOYSA-N 408.845 3.232 0 40 HGAB O=C(CCc1csc(NC(=O)c2ccccc2)n1)NCc1ccc2c(c1)OCO2 11835019 FFPDSUCBGGGKTJ-UHFFFAOYSA-N 409.467 3.373 0 40 HGAB Cc1nccn1[C@H](C)CC(=O)N1CCC[C@H](c2nc3ccccc3cc2C(N)=O)C1 12221639 GGEHCOGTQONVSV-QAPCUYQASA-N 405.502 3.196 0 40 HGAB Cc1nn(C)cc1S(=O)(=O)NCC[C@@]1(Cc2ccccc2)CCOC(C)(C)C1 12238910 DFAWEFDARQNYJY-NRFANRHFSA-N 405.564 3.215 0 40 HGAB CC[C@@H](C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1C)c1ccccc1 12801203 AUINGBSSYXURSL-LJQANCHMSA-N 402.516 3.148 0 40 HGAB O=C(CN1CCC(C(=O)NCc2ccccc2)CC1)Nc1ccc(F)c(Cl)c1 12803552 PATGLHVKHJFOKU-UHFFFAOYSA-N 403.885 3.446 0 40 HGAB O=S(=O)(c1cc(F)ccc1F)N1CCN(Cc2cc(-c3ccccc3)no2)CC1 12808764 QFYLAXYWECQZCP-UHFFFAOYSA-N 419.453 3.126 0 40 HGAB O=C(Nc1nc(CN2CCCC2)cs1)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 12980643 ZUGCPQNWUSIALJ-ZDUSSCGKSA-N 404.923 3.384 0 40 HGAB CCCCn1c(N)c(N(CC(C)C)C(=O)/C=C/c2ccc(Cl)cc2)c(=O)[nH]c1=O 13041713 UDHWUSZWAPWSRU-DHZHZOJOSA-N 418.925 3.275 0 40 HGAB C[C@H]1CCC[C@@H](C)N1C(=O)COC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 13109651 BWBVZNCYUYVMMY-IYBDPMFKSA-N 420.465 3.434 0 40 HGAB Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccc(OCC(N)=O)cc2)cc1 13585436 UXQRWWGILGVESR-UHFFFAOYSA-N 410.495 3.255 0 40 HGAB Cc1ccc(N2C(=O)N(CC(=O)N(CC(F)(F)F)[C@@H](C)C3CC3)C(=O)[C@H]2C)cc1 16695549 DPHPUGCCDUDLQR-UONOGXRCSA-N 411.424 3.342 0 40 HGAB Cc1cc(C)cc(C(=O)NCC(=O)OCC(=O)N[C@H](C)c2cc3ccccc3o2)c1 18274033 CLEPKIRTKYJUPP-MRXNPFEDSA-N 408.454 3.200 0 40 HGAB Cc1ccc2c(c1)C(=O)N(CC(=O)N1CCC[C@H](C)[C@@H]1C)CC1(CCOCC1)O2 19218693 MMZKHPCLANAURL-ROUUACIJSA-N 400.519 3.026 0 40 HGAB Cc1cccc([C@@H](Cc2cc(N(C)C)nc(C3CC3)n2)NC(=O)c2cnccn2)c1 19234466 LJWSMQQJHPPKPZ-LJQANCHMSA-N 402.502 3.232 0 40 HGAB Cc1cc(C)n(-c2cccc(C(=O)N[C@@H](Cn3nc(C4CC4)ccc3=O)C(C)C)c2)n1 19574762 RAWDCLIAPISASN-QFIPXVFZSA-N 419.529 3.378 0 40 HGAB Cc1noc(CCC(=O)N2CCC[C@@H]2c2nc(N(C)C)ncc2-c2cccc(F)c2)n1 19689965 WJAQGXNHSUCLBI-GOSISDBHSA-N 424.480 3.336 0 40 HGAB O=C(N[C@H]1C[C@H]2CC[C@@H]1C2)C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1 19867986 WITQZSQDGPOCFB-GMBSWORKSA-N 410.967 3.187 0 40 HGAB COc1ccccc1NC(=O)CSc1nnc(COc2ccccc2OC)o1 19928435 IVEBCZRMNNLDIV-UHFFFAOYSA-N 401.444 3.397 0 40 HGAB O=C1c2oc3ccccc3c(=O)c2[C@@H](c2ccc(Cl)cc2)N1CCN1CCOCC1 20219681 NXSKNXIOZWIMDT-HXUWFJFHSA-N 424.884 3.324 0 40 HGAB Cc1nc(-c2cc3ccc(OCC(=O)NCc4ccncc4)cc3oc2=O)cs1 20731779 PSPYDARIKMGUHM-UHFFFAOYSA-N 407.451 3.315 0 40 HGAB CCn1c(SCC(=O)Nc2cc3c(cc2Cl)OCO3)nnc1-c1ccncc1 22062874 CJNRMJXVAPXSCG-UHFFFAOYSA-N 417.878 3.473 0 40 HGAB COc1ccc([C@H](NC(=O)CN2CCN(c3ccccn3)CC2)c2ccccc2)cc1 23873285 JPYWZDCCVAYEHZ-RUZDIDTESA-N 416.525 3.118 0 40 HGAB CCOc1ccc([C@@]2(C)NC(=O)N(Cc3nnc(-c4ccc(OC)cc4)o3)C2=O)cc1 23908304 MCWBVHJHXDLXJM-JOCHJYFZSA-N 422.441 3.111 0 40 HGAB Cc1cc(S(=O)(=O)N2C[C@@H](C(=O)N3CCCCC3)Oc3ccccc32)c(C)s1 31720555 CMHCXCWYYVXRNQ-SFHVURJKSA-N 420.556 3.334 0 40 HGAB COc1ccccc1CCC(=O)N1CCN(C(=O)c2cn(C)c3ccccc23)CC1 32106496 JYIQBSVLJNIVST-UHFFFAOYSA-N 405.498 3.104 0 40 HGAB Cc1noc(C(C)C)c1C(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 32738060 CSAOXQODOIVPOX-KBPBESRZSA-N 421.519 3.157 0 40 HGAB CCOc1ccc([C@@H]2CCCN2C(=O)c2ccc(CN3C(=O)CNC3=O)cc2)cc1 32744918 YKULEDNMKWCKPF-FQEVSTJZSA-N 407.470 3.114 0 40 HGAB CCc1cccc(CC)c1NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(OC)c(C)c1 33807118 FPEBSGRJDCJIPQ-OAHLLOKOSA-N 404.532 3.434 0 40 HGAB CC(=O)Nc1cccc(NS(=O)(=O)c2c(C)nn(-c3ccc(F)cc3)c2C)c1 36365022 UNIPAQHLZDFQOW-UHFFFAOYSA-N 402.451 3.387 0 40 HGAB COc1ccc2nc(SCc3nnc4n(C)c(=O)c5cc(C)ccc5n34)[nH]c2c1 40114134 YGTBQZOZILHHKO-UHFFFAOYSA-N 406.471 3.067 0 40 HGAB COc1cc(OC)c(OC)cc1CNC(=O)c1nc(N2CCCCC2)ncc1Cl 40119556 OEUJSNGMAQRADC-UHFFFAOYSA-N 420.897 3.076 0 40 HGAB COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)CCOc1ccc(Cl)cc1 40132553 INCPWHBPNQEMHE-UHFFFAOYSA-N 418.877 3.371 0 40 HGAB CCCc1nnsc1C(=O)NCC1CCN(C(=O)Nc2ccc(F)cc2)CC1 44005552 NHJHFXXUUJIDMV-UHFFFAOYSA-N 405.499 3.304 0 40 HGAB Cc1cc(OCC(=O)Nc2ccccc2)nc(N2CCN(c3ccccc3)CC2)n1 44170082 QCXMACUELXIMGT-UHFFFAOYSA-N 403.486 3.129 0 40 HGAB COc1ccc(S(=O)(=O)NCc2ccc(OC(C)C)cc2)cc1N1CCCC1=O 44904742 IPWNZBOASKJROX-UHFFFAOYSA-N 418.515 3.088 0 40 HGAB CC[C@H](NC(=O)[C@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1)c1ccccc1 44935498 YLRDLQWMLHDTAV-MAUKXSAKSA-N 408.907 3.135 0 40 HGAB COc1ccc(OCCN2CCN(Cc3nc(-c4cccc(C)c4)no3)CC2)cc1 48289882 FRHZRMZFNOPTRT-UHFFFAOYSA-N 408.502 3.250 0 40 HGAB COc1cn(-c2ccccc2)nc1C(=O)NCc1cccc(CN2CCO[C@H](C)C2)c1 58158884 TWLCJDXGEBWQMF-GOSISDBHSA-N 420.513 3.032 0 40 HGAB O=C(NC1CCN(C(=O)c2ccccc2O)CC1)c1c[nH]c(=S)n1-c1ccccc1 58297737 FFOMSTORZLQPOZ-UHFFFAOYSA-N 422.510 3.275 0 40 HGAB Cc1ccc(CN(C)C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)cc1 64691704 JBZYDTVVZOPQDZ-FQEVSTJZSA-N 400.544 3.363 0 40 HGAB C[C@@H]1CN2CCC[C@H]2CN1Cc1cn(CC(=O)NCc2ccco2)c2ccccc12 72324705 MWGMYWLOMMNGNQ-QUCCMNQESA-N 406.530 3.219 0 40 HGAB COc1ccc2[nH]c(C(=O)N3CC[C@@H](n4c(C)nc5cccnc54)C3)cc2c1OC 72366040 QWFUPDOLNNMELM-CQSZACIVSA-N 405.458 3.325 0 40 HGAB O=C1Cc2cc(NS(=O)(=O)Cc3ccc(C(F)(F)F)cc3)cc3c2N1CCC3 77200685 WHQDMQAQYQRBFN-UHFFFAOYSA-N 410.417 3.483 0 40 HGAB O=C(CN1CSCC1=O)NCC1(c2cccc(Br)c2)CCCCC1 78899523 VXMLTXWTFIUMRP-UHFFFAOYSA-N 411.365 3.300 0 40 HGAB COC(=O)c1cccc(S(=O)(=O)Nc2cc(Cl)cc(Br)c2O)c1 79014683 OBECROCSBLEBJK-UHFFFAOYSA-N 420.668 3.396 0 40 HGAB C[C@H](NC(=O)CNC(=O)c1c(F)cccc1Cl)c1noc(Cc2ccccc2)n1 79026404 LQLNPIRTXLUSFT-LBPRGKRZSA-N 416.840 3.060 0 40 HGAB CCc1cc(=O)oc2c(C)c(OCC(=O)NC[C@@H]3CCCN4CCCC[C@H]34)ccc12 79193033 SCXLHWYZRLQMFM-AZUAARDMSA-N 412.530 3.423 0 40 HGAB biogenic NC(=O)Nc1cccc(NC(=O)[C@H](c2ccc(Cl)cc2Cl)N2CCOCC2)c1 95402759 QDZYHIXYEROPMU-KRWDZBQOSA-N 423.300 3.496 0 40 HGAB CO[C@@](C)(CNS(=O)(=O)c1ccccc1Br)c1ccccc1F 96123600 CCFCSGXLKVHFLI-INIZCTEOSA-N 402.285 3.428 0 40 HGAB Cc1cnc(CNC(=O)c2ccc3nnc4nc(C)n(Cc5ccccc5)c4c3c2)cn1 96146597 ZSZUMTLHZBDXBP-UHFFFAOYSA-N 423.480 3.365 0 40 HGAB COc1cc(C(=O)COC(=O)/C(=C\c2ccccc2)NC(C)=O)ccc1OC(F)F 97653900 ZJAUSZUIFHLNPA-MHWRWJLKSA-N 419.380 3.200 0 40 HGAB Cn1ccnc1C1(O)C[C@H]2CC[C@H](C1)N2CC(=O)Nc1cccc(Cl)c1Cl 100127927 YEBPCIMZGRWEOD-CHWSQXEVSA-N 409.317 3.180 0 40 HGAB O=C([C@@H]1C[C@H]2CC[C@H]1C2)N1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 103456327 DEJCXTUJELKXLG-KCQAQPDRSA-N 417.358 3.263 0 40 HGAB COC(=O)c1cccc(NC(=O)CCCN(c2cccc(C)c2C)S(C)(=O)=O)c1 113961144 BRXCXLDLXVSGBH-UHFFFAOYSA-N 418.515 3.275 0 40 HGAB CCCCNS(=O)(=O)c1ccc(NCCc2ccc(OC)cc2)c(C(=O)O)c1 217550702 STRLPOOIWYTENZ-UHFFFAOYSA-N 406.504 3.126 0 40 HGAB CSc1cccc(N(CC(=O)N[C@H]2CCCc3ccccc32)S(C)(=O)=O)c1 220073353 AOTOJXPVYLXUIV-IBGZPJMESA-N 404.557 3.368 0 40 HGAB CCOc1ccccc1N(CC(=O)NCc1ccc2ccccc2c1)S(C)(=O)=O 222760085 NHOAHKQAVWGIHN-UHFFFAOYSA-N 412.511 3.321 0 40 HGAB COc1ccc(C(=O)N2c3ccccc3C[C@@H]2C)cc1S(=O)(=O)N1CCCCC1 222915346 VJSYRKQERWNMAO-INIZCTEOSA-N 414.527 3.461 0 40 HGAB CCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)COc1ccc(OC)cc1 223683479 TXXQDRJRANZLFN-HNNXBMFYSA-N 404.894 3.281 0 40 HGAB Cc1ccc(C)c(OCCNS(=O)(=O)c2ccc(N3CCCC3=O)c(C)c2)c1 224020038 OKYUAFAERPCPOB-UHFFFAOYSA-N 402.516 3.096 0 40 HGAB CNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)COc1ccc(Br)c(C)c1 225203536 IWBQCQMAHNFFDA-OAHLLOKOSA-N 419.319 3.300 0 40 HGAB CNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)Cc1ccccc1F 225470206 XNHCRVZIXKUEOD-ZDUSSCGKSA-N 407.283 3.294 0 40 HGAB CCOC(=O)c1ccc(NC(=O)C[C@H](NS(C)(=O)=O)c2ccc(Cl)cc2)cc1 225951725 FKHMCBUTIWQXLP-KRWDZBQOSA-N 424.906 3.136 0 40 HGAB C[C@@H]1C[C@@H]1C(=O)N1CCC[C@](Cc2ccccc2-c2cncnc2)(C(=O)N(C)C)C1 247953239 CKUBDGHBHQBENN-QATBIIFWSA-N 406.530 3.039 0 40 HGAB Nc1nc(O)cc(C(=O)N2CCC[C@@H](c3ncc(Cc4cccc(Cl)c4)o3)C2)n1 257209195 BPIRETCOUHQSLE-CYBMUJFWSA-N 413.865 3.016 0 40 HGAB CN(C)C(=O)c1sc2nccnc2c1C1CCN(C(=O)c2cccs2)CC1 257290431 QCXPREGYVIJDMW-UHFFFAOYSA-N 400.529 3.474 0 40 HGAB Nc1ncc(-c2cccc([C@H]3CN(C(=O)CCc4cccc(Cl)c4)CCO3)n2)cn1 257297563 RHVFJDUAIMUUKY-HXUWFJFHSA-N 423.904 3.307 0 40 HGAB CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N[C@H]1CCCc2ccccc21 260805372 BTRRZJCGLFDABD-LEWJYISDSA-N 416.543 3.434 0 40 HGAB COc1ccc(-c2ccc(CCC(=O)O)n2NC(=O)C(=O)Nc2ccc(C)cc2)cc1 408561712 KKQYXIVACFNDLX-UHFFFAOYSA-N 421.453 3.198 0 40 HGAB CCOc1ccc(Br)cc1/C=C1/SC(=O)N([C@@H](C)C(=O)OC)C1=O 409071916 SUCOLEQNRPLETK-ITTMYVLYSA-N 414.277 3.446 0 40 HGAB Cc1cc(S(=O)(=O)NCc2ccccc2)ccc1OCC(=O)NC1CCCCC1 409387272 AAZYXGICXWGBSF-UHFFFAOYSA-N 416.543 3.301 0 40 HGAB CCN(CC)[C@@H](CNC(=O)c1ccc2c(c1)NC(=O)CCN2C)Cc1ccccc1 525619726 FNCLZEPTGHPSHH-HXUWFJFHSA-N 408.546 3.148 0 40 HGAB Cc1cc(C)nc(O[C@H]2CCCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)C2)n1 575614094 WPWVWULFWLZCAQ-HNNXBMFYSA-N 415.437 3.344 0 40 HGAB COc1cccc(S(=O)(=O)N2CC[C@@H]3[C@@H](CN3C[C@H](C)c3ccccc3)C2)c1 585107932 GQDSFXBAETZEBS-LQBOVUBWSA-N 400.544 3.194 0 40 HGAB COc1cccc(S(=O)(=O)N2CC[C@@H]3[C@@H](CN3C[C@@H](C)c3ccccc3)C2)c1 585107935 GQDSFXBAETZEBS-ZWCUEREDSA-N 400.544 3.194 0 40 HGAB O=C(CSc1nc2ccccc2c2nnnn12)NCc1ccc(C(F)(F)F)cc1 585157933 PSJSJWZSNKESKS-UHFFFAOYSA-N 418.404 3.100 0 40 HGAB COc1ccc(-c2oc3c(=O)cc(C)oc3c2CC(=O)N[C@H]2CCSC2=O)cc1 604405592 RJYZYDUTHZUOOU-HNNXBMFYSA-N 413.451 3.061 0 40 HGAB biogenic Cn1cc(C(=O)N2CCC[C@@]3(CCCCCOc4ccccc4C(=O)NC3)C2)cn1 643559322 FQKYSQFXKNAMSR-HSZRJFAPSA-N 410.518 3.025 0 40 HGAB CN1CCOc2ccccc2CCCCC2(CCN(C(=O)c3cnccn3)CC2)C1 643570857 UFDIIBVQEQCLPM-UHFFFAOYSA-N 408.546 3.436 0 40 HGAB Cc1nc(C)c(C(=O)N2CCC(COc3ncc(Br)cn3)CC2)s1 1775969362 NERWDPARUGIVJQ-UHFFFAOYSA-N 411.325 3.244 0 40 HGAB CC(C)c1ccc(-n2ccn(C[C@H]3CC(=O)N(Cc4ccccc4)C3)c(=O)c2=O)cc1 1889260049 JFZDSLLORIQNGF-HXUWFJFHSA-N 417.509 3.171 0 40 HGAB COc1cccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)c1 682285 VNMYCAYEUAVTRO-UHFFFAOYSA-N 412.471 3.155 0 40 HGAB COc1cccc(N(CC(=O)NC2CCCCC2)S(=O)(=O)c2ccccc2)c1 821139 STWYWZSLNMXPFJ-UHFFFAOYSA-N 402.516 3.339 0 40 HGAB Cc1cc(C)c(S(=O)(=O)Nc2ccc(S(=O)(=O)NC(C)(C)C)cc2)c(C)c1 986263 MPNCYEXTSSCVLG-UHFFFAOYSA-N 410.561 3.489 0 40 HGAB CCCNC(=O)c1cc(I)ccc1NC(=O)c1cccnc1 2182488 AENBZNVSZZPOMK-UHFFFAOYSA-N 409.227 3.078 0 40 HGAB Cc1nn(C)cc1[C@@H](C)NC(=O)[C@@H](C)n1nc(C(F)F)c(Br)c1C 2780446 LYIUBPPBLUSKCC-GMSGAONNSA-N 404.259 3.372 0 40 HGAB O=C(COC(=O)[C@@H]1CCCN1C(=O)c1cccs1)Nc1nc2ccccc2s1 3233255 UGFQNUYFLRPEEY-ZDUSSCGKSA-N 415.496 3.144 0 40 HGAB O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccc2ccccc2c1 3241663 USMSLSUSNQWTKE-UHFFFAOYSA-N 424.522 3.432 0 40 HGAB CCN(CC(=O)Nc1ccc2c(c1)OCCO2)CC(=O)c1c(C)[nH]c2ccccc12 3420438 WEOOJFVYVDSMIQ-UHFFFAOYSA-N 407.470 3.391 0 40 HGAB CCOc1ccc(C(=O)OCC(=O)Nc2ccc(OC)cc2OC)cc1OCC 3441691 GFGUQOQVMSFZTR-UHFFFAOYSA-N 403.431 3.297 0 40 HGAB O=C(/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccccc1Cl 3483349 ACHWGCOSQLLHTG-JXMROGBWSA-N 406.891 3.013 0 40 HGAB COc1ccc2[nH]c3c(c2c1)CCN1C(=O)N(c2ccc4c(c2)OCCO4)C(=O)[C@]31C 4073831 QNPIUAYYALMFSJ-QHCPKHFHSA-N 419.437 3.188 0 40 HGAB biogenic CCn1c(SCC(=O)Nc2ccccc2C(=O)OC)nnc1-c1ccoc1C 4356314 UFWURTWTBQCGDH-UHFFFAOYSA-N 400.460 3.384 0 40 HGAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NC3CCCCCC3)C2)cc1 4813782 GZRDOEVWMUMTBT-QGZVFWFLSA-N 408.564 3.325 0 40 HGAB CC(C)n1c(N2CCN(CC(=O)Nc3ccc4c(c3)OCO4)CC2)nc2ccccc21 4858173 IGPWRSUUXGOHDA-UHFFFAOYSA-N 421.501 3.107 0 40 HGAB CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccccc3F)C2)cc1 4966964 JGSWMMVCSWKBJA-HNNXBMFYSA-N 406.479 3.264 0 40 HGAB CC(=O)N1CCc2c(sc(NC(=O)CCSc3ccc(C)cc3)c2C(N)=O)C1 5191358 PTYLAKOPBMVUMU-UHFFFAOYSA-N 417.556 3.181 0 40 HGAB COCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@@H]1c1ccc(OC)c(OC)c1 5339894 CYCYBAQVPDJTTI-QFIPXVFZSA-N 423.469 3.381 0 40 HGAB O=C(CSc1nnc(-c2c[nH]c3ccccc23)n1-c1ccccc1)N1CCOCC1 6346750 MHGHZTPGPDLVSS-UHFFFAOYSA-N 419.510 3.367 0 40 HGAB C[C@]1(c2ccc3c(c2)OCCCO3)NC(=O)N(CCOc2ccc(Cl)cc2)C1=O 6608609 VHLYTWBVSDLMLK-OAQYLSRUSA-N 416.861 3.347 0 40 HGAB C[C@H](c1ccccc1)N1C[C@@H](C(=O)OCC(=O)Nc2cccc(Cl)c2)CC1=O 7232401 VKCRKRFBZPDDJF-ZBFHGGJFSA-N 400.862 3.431 0 40 HGAB CCN1CCN(C(=O)c2cc3c(N4CCCCC4)nc(SC)nc3s2)CC1 7604227 ZIDBBUFBLHQVKV-UHFFFAOYSA-N 405.593 3.181 0 40 HGAB O=C(COC(=O)c1nc(Cl)ccc1Cl)Nc1ccccc1C(=O)NC1CC1 7986147 DNIAXYMFKAFZPK-UHFFFAOYSA-N 408.241 3.076 0 40 HGAB COc1ccc(NC(C)=O)cc1S(=O)(=O)N(Cc1ccco1)Cc1ccco1 7989982 ZFCSMWRRYGVLJE-UHFFFAOYSA-N 404.444 3.231 0 40 HGAB C[C@]1(Cc2ccc3c(c2)OCO3)NC(=O)N(CCSc2ccccc2F)C1=O 8075354 CVCYEXGQRKZHDH-HXUWFJFHSA-N 402.447 3.200 0 40 HGAB COc1ccc(-c2cc(NC(=O)CN3C(=O)NC4(CCCC4)C3=O)ccc2OC)cc1 8327966 IWEYZUKIJURUJV-UHFFFAOYSA-N 423.469 3.174 0 40 HGAB CC(C)[C@H]1N=C2c3ccccc3N=C(SCC(=O)NCc3ccc(F)cc3)N2C1=O 8609166 LMWBGIMFAKFURY-LJQANCHMSA-N 424.501 3.490 0 40 HGAB C[C@@H](NC(=O)CN1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1)c1cccs1 8943431 JFZRYBGBWQVMNT-CQSZACIVSA-N 415.515 3.005 0 40 HGAB O=C(NC1CCCC1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1 9094839 RNXATEULIRGGEX-LJQANCHMSA-N 406.935 3.288 0 40 HGAB O=C(CN1C(=O)S/C(=C\c2ccco2)C1=O)NCCc1c[nH]c2ccc(F)cc12 9302911 UUFNWSDQKWDUHP-MFOYZWKCSA-N 413.430 3.295 0 40 HGAB Cc1ccc(OCC(=O)n2nc(C)c(S(=O)(=O)N3CCCCCC3)c2C)cc1 9569736 LZPXWIGNXHXAKP-UHFFFAOYSA-N 405.520 3.092 0 40 HGAB CN(C)CCCNC(=O)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1 10111424 QTLOBOGUTOSBAB-QHCPKHFHSA-N 411.571 3.185 0 40 HGAB COC(=O)c1cccc(NC(=O)[C@H](C)N(c2cc(C)ccc2C)S(C)(=O)=O)c1C 10329061 VAYBNKNMIRLDFT-INIZCTEOSA-N 418.515 3.192 0 40 HGAB COCCn1c(SCC(=O)NC(=O)N[C@@H]2CCCC[C@@H]2C)nc2ccccc21 11490238 RJHWQEDSPAPGJH-LSDHHAIUSA-N 404.536 3.179 0 40 HGAB COc1ccc(CC(=O)N2CCC[C@@H](c3nc(O)cc(-c4ccccn4)n3)C2)cc1 12256748 IWHDYOTWTMLJIR-QGZVFWFLSA-N 404.470 3.202 0 40 HGAB CSc1cccc(NC(=O)NC[C@H]2C[C@@H]3CCN2C[C@@H]3CN2CCSCC2)c1 12602643 WMFJPPMVYCJXRJ-JENIJYKNSA-N 420.648 3.289 0 40 HGAB biogenic,in-vitro CN(Cc1ccccc1N1CCOCC1)S(=O)(=O)c1cccc(C(F)(F)F)c1 12734614 RIELMDXEFDTTCO-UHFFFAOYSA-N 414.449 3.363 0 40 HGAB O=S(=O)(NC1CC1)c1ccc(S(=O)(=O)Oc2cccc(Cl)c2Cl)cc1 12949866 RJTKRLMZEFGBQS-UHFFFAOYSA-N 422.311 3.202 0 40 HGAB O=C(NCCNC(=O)c1cccc2ccccc12)c1ccc(NC(=O)C2CC2)cc1 13854756 MAVNHINQSXPKIV-UHFFFAOYSA-N 401.466 3.348 0 40 HGAB CN(C)S(=O)(=O)c1cccc(CSc2nnc(-c3ccccc3F)n2C)c1 14123690 AORUFPVEBFDHSL-UHFFFAOYSA-N 406.508 3.164 0 40 HGAB O=C(CN1c2cccc3cccc(c23)S1(=O)=O)Nc1ccc2c(c1)OC(F)(F)O2 16049150 OOICBAJFFHQESQ-UHFFFAOYSA-N 418.377 3.309 0 40 HGAB C[C@@H]1CCCC[C@H]1NC(=S)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 17083246 BVPYLFVLTHYVQT-CZUORRHYSA-N 405.549 3.143 0 40 HGAB COc1ccc(C(=O)N[C@H](C)c2ccc(F)cc2)cc1S(=O)(=O)N1CCCC1 17916173 YLWHMEGTLXPADF-CQSZACIVSA-N 406.479 3.110 0 40 HGAB Cc1cc(C)cc(C(=O)NCC(=O)OCC(=O)N[C@@H](C)c2cc3ccccc3o2)c1 18274036 CLEPKIRTKYJUPP-INIZCTEOSA-N 408.454 3.200 0 40 HGAB C[C@H](Cc1ccc2c(c1)OCO2)CN1CCc2c(O)nc(-c3ccncc3)nc2C1 19456863 MMOYCWPLYGEOSU-OAHLLOKOSA-N 404.470 3.210 0 40 HGAB CC1(C)C[C@H](N(Cc2ccccc2)C(=O)c2ccc(Cn3cnnn3)cc2)CCO1 19665689 OLLIQKXXFGCCDE-OAQYLSRUSA-N 405.502 3.321 0 40 HGAB O=S(=O)(Cc1ccccc1)N1CCN(Cc2cccc(Br)c2)CC1 19868577 RGZUVFWTAQYGKR-UHFFFAOYSA-N 409.349 3.097 0 40 HGAB COc1ccc(N([C@H](C)C(=O)N(C)Cc2ccc(C)cc2)S(C)(=O)=O)cc1Cl 20112610 NADDHMKHRFUMDG-OAHLLOKOSA-N 424.950 3.470 0 40 HGAB c1ccc(CN2CCc3c(sc4c3c(N3CCCCC3)nc3nnnn34)C2)cc1 20517535 ZSSHTORRESMSKY-UHFFFAOYSA-N 405.531 3.283 0 40 HGAB COC(=O)CS[C@@H](C)C(=O)Nc1ccc(C(=O)Nc2ccccc2OC)cc1 21278351 YSUDIOHTJALHHO-ZDUSSCGKSA-N 402.472 3.181 0 40 HGAB Cc1cc2oc(C(=O)NC[C@H](c3ccco3)N3CCOCC3)cc(=O)c2cc1Cl 21805985 STSFOHGMEAJDLV-MRXNPFEDSA-N 416.861 3.151 0 40 HGAB O=C(CNS(=O)(=O)c1cccc(C(F)(F)F)c1)OCc1ccccc1Cl 22618291 DTVXDWNLPQWTBK-UHFFFAOYSA-N 407.797 3.381 0 40 HGAB C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)NCCSCc1ccc(Cl)cc1)C2=O 22983649 NFCBSBRTALTJKA-VBKZILBWSA-N 423.966 3.190 0 40 HGAB Cc1ccccc1[C@H](OC[C@@H](O)CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)c1ccccc1 24095464 AVQODRNZJDDAEM-KZKAQZJJSA-N 405.494 3.413 0 40 HGAB CCSc1ccccc1C(=O)N1CCC(NS(=O)(=O)c2ccccc2)CC1 25896149 FOXCHNYFHULEGJ-UHFFFAOYSA-N 404.557 3.382 0 40 HGAB O=C(NC[C@H](c1ccccc1)N1CCOCC1)c1cc(=O)c2cc(Cl)ccc2o1 28289731 QNUVAMWTEAYBTC-GOSISDBHSA-N 412.873 3.250 0 40 HGAB CC(C)c1ccc(N2C(=O)CN([C@H](C)c3ccccc3)[C@H]3CS(=O)(=O)C[C@H]32)cc1 31773825 FGJVBPPXXDIVIB-VOQZNFBZSA-N 412.555 3.385 0 40 HGAB O=C(/C=C/c1cccc(F)c1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 34909523 DBHWZDZEHNAMPL-QPJJXVBHSA-N 424.881 3.152 0 40 HGAB Cc1cc(C(=O)CN2CCN(c3ncccn3)CC2)c(C)n1CCc1cccs1 35288762 LSOANRIYBHWABL-UHFFFAOYSA-N 409.559 3.204 0 40 HGAB C[C@H]1Cc2ccccc2N1C(=O)CSc1nnc(NC(=O)c2ccco2)s1 35314044 TWVKLODQSQVMAC-NSHDSACASA-N 400.485 3.453 0 40 HGAB COc1ccc(-n2nnc(C(=O)NCc3ccc(F)cc3)c2-c2cccnc2)cc1 38487701 NCEFAZCKXFJRBN-UHFFFAOYSA-N 403.417 3.407 0 40 HGAB COc1ccc(C)cc1NC(=O)[C@H]1CCN(S(C)(=O)=O)c2cc(Cl)ccc2O1 38849483 BPKIQCQZKIOALX-GOSISDBHSA-N 424.906 3.213 0 40 HGAB Cc1nc(-c2ccsc2)sc1C(=O)Nc1cccc([C@]2(C)NC(=O)NC2=O)c1 40111173 QTVKQPZZOKNOOB-IBGZPJMESA-N 412.496 3.487 0 40 HGAB CCOc1ccccc1CCCNC(=O)c1ccc(NS(C)(=O)=O)c(Cl)c1 44946022 MFPXJGDZJQBFTH-UHFFFAOYSA-N 410.923 3.473 0 40 HGAB O=C(Cn1nc(-c2ccc(F)cc2)ccc1=O)Nc1ccccc1Br 51319644 NGHCRCYZCONVRW-UHFFFAOYSA-N 402.223 3.451 0 40 HGAB Cc1cc(C)n(CCCNC(=O)Cn2c(-c3ccc(F)cc3)c(C)sc2=O)n1 58292348 DZJITNDJGHNKOC-UHFFFAOYSA-N 402.495 3.044 0 40 HGAB Cc1ccc(NC(=O)N(C)C[C@@H](O)COCCOC(C)C)c(Br)c1 58343958 LSUGBLVGDNHDHL-CQSZACIVSA-N 403.317 3.024 0 40 HGAB COc1ccc(C(C)(C)C)cc1CN1CCc2c(nc(-c3cnccn3)[nH]c2=O)C1 72397160 LBRWRSUVWIZRQV-UHFFFAOYSA-N 405.502 3.091 0 40 HGAB O=C(C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)N1CCCC[C@H]1CO 89764517 VSDFLMVPWKSVDE-AWEZNQCLSA-N 405.848 3.344 0 40 HGAB O=C(O)[C@@H]1c2ccccc2CCN1C(=O)c1nn(-c2ccccc2F)c2c1CCC2 95970193 XGLICMZLQLPMGR-NRFANRHFSA-N 405.429 3.324 0 40 HGAB COc1cc2oc(=O)cc(C)c2cc1CCC(=O)NCCc1nc2ccccc2[nH]1 96115024 LKBLCLSPFHGIFB-UHFFFAOYSA-N 405.454 3.278 0 40 HGAB biogenic O=C(c1cc(F)cc(F)c1)N1CCC2(CC1)COCCN(Cc1ccncc1)C2 96239943 XEUVGCIBELZTMR-UHFFFAOYSA-N 401.457 3.115 0 40 HGAB O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)Oc1ccc(C(=O)c2ccc(F)cc2)cc1 101231330 GLXKJGQEJXIEIM-OALUTQOASA-N 409.413 3.137 0 40 HGAB CCOC(=O)[C@]1(CN)[C@@H](S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1ccc(Cl)cc1 218533678 SRMQAWYJNWDINO-BJLQDIEVSA-N 407.919 3.096 0 40 HGAB CCOC(=O)[C@@]1(N)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(CC)cc1 218566675 GSQPJTPCJRDGDB-BJLQDIEVSA-N 407.919 3.103 0 40 HGAB COC(=O)c1ccc(Cl)c(NC(=O)[C@@H](C)N(c2cccc(C)c2)S(C)(=O)=O)c1 220135258 JFTCXTPGLHWUIV-CYBMUJFWSA-N 424.906 3.228 0 40 HGAB CSc1cccc(NC(=O)[C@H](C)N(c2ccc(F)c(F)c2)S(C)(=O)=O)c1 220449980 SUWVMVBJHXHKLS-NSHDSACASA-N 400.472 3.480 0 40 HGAB CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N2CCC[C@H](Cc3nc(C4CC4)no3)C2)C1 220755575 ZRHFTGZLENKVTH-WBVHZDCISA-N 418.538 3.375 0 40 HGAB CC[C@H](NC(=O)c1ccc(N(C)S(C)(=O)=O)c(C)c1)c1ccc(OC)c(OC)c1 222485706 LTTWHMOVPJVRQS-KRWDZBQOSA-N 420.531 3.289 0 40 HGAB CN(C)C(=O)COc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1 223304209 FUWYUPUSBXARGS-UHFFFAOYSA-N 403.287 3.261 0 40 HGAB CCOc1ccc(-c2noc(CNS(=O)(=O)c3ccc(OC)c(Cl)c3)n2)cc1 223587795 SJAMSQRMLUHVOT-UHFFFAOYSA-N 423.878 3.276 0 40 HGAB CCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)COc1ccccc1Cl 223996045 LYNZDIODWDVGKV-HNNXBMFYSA-N 404.894 3.281 0 40 HGAB Cc1ccc(OCCNS(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1Cl 224159278 ACTWVWBNEGHTGL-UHFFFAOYSA-N 408.907 3.133 0 40 HGAB CCOC(=O)c1cc(NC(=O)[C@H](c2ccccc2)N(C)S(C)(=O)=O)ccc1Cl 225076744 WWLRXUBUOJONDQ-KRWDZBQOSA-N 424.906 3.088 0 40 HGAB CC[C@H](C(=O)NCCSC1CCCC1)N(c1cccc(OC)c1)S(C)(=O)=O 225425767 FEPOCJGXAXJKGI-GOSISDBHSA-N 414.593 3.032 0 40 HGAB Cc1nc(N2CCC(NC(=O)c3cc4ccccn4c3)CC2)cc(C(F)(F)F)n1 225725893 PZQOARVXJQVXIL-UHFFFAOYSA-N 403.408 3.455 0 40 HGAB NC(=O)[C@@]1(c2ccccn2)CCCN(C(=O)C2(Oc3ccccc3)CCCCC2)C1 257272845 NECQJTGVJVFBQH-QHCPKHFHSA-N 407.514 3.209 0 40 HGAB O[C@]1(CN2CCC(F)(F)CC2)CCN(Cc2ccc(OCc3ccccn3)cc2)C1 257286416 PLNKAFXSKHBSND-QFIPXVFZSA-N 417.500 3.329 0 40 HGAB CCOc1ccc(N([C@H](C)C(=O)NC[C@H](C)c2ccccc2)S(C)(=O)=O)cc1 260790519 FXBISNFQLYCOTB-DLBZAZTESA-N 404.532 3.160 0 40 HGAB COCCN1CC[C@@]2(CN(Cc3ccccc3F)C[C@H]2c2cn(C(C)C)cn2)C1=O 306125425 CQOCNVNBAKUORS-CVDCTZTESA-N 414.525 3.068 0 40 HGAB CC(C)CC(=O)N1C[C@H](c2cn(C(C)C)cn2)[C@]2(CCN(Cc3ccncc3)C2=O)C1 306129272 HZCUCEYLVHKSJJ-YKSBVNFPSA-N 423.561 3.250 0 40 HGAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 408605730 NINHYXHROPANMZ-LBPRGKRZSA-N 416.421 3.410 0 40 HGAB Cc1cc(Cl)ccc1N[C]1NC(=O)/C(=C/c2ccc(OCC(N)=O)cc2)S1 408802202 YMEVUZHZAVLMRF-UHFFFAOYSA-N 402.883 3.276 0 40 HGAB O=C(NCC1CCN(c2ccncc2)CC1)N1CCO[C@H](c2ccc(F)cc2F)C1 559319223 VLYNSJUIMLYJKG-NRFANRHFSA-N 416.472 3.359 0 40 HGAB C[C@H](c1ccccc1)N1C[C@@]2(COCCN(c3ncnc4ccccc34)C2)CC1=O 585103761 GJDBJNHMNSSANE-HOYKHHGWSA-N 402.498 3.446 0 40 HGAB Cc1nc(/C=C/C(=O)N2CCC[C@H](c3nccnc3Nc3ccccn3)C2)cs1 585291219 LTFZATSKXJKCQJ-WAVCKPEOSA-N 406.515 3.800 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC(c3ccc4cccnc4n3)CC2)cc1OC 1191908151 XXHHCWCXOXSMJN-UHFFFAOYSA-N 413.499 3.215 0 40 HGAB Cc1ccc(O[C@H](C)C(=O)N2CCC(Cn3nc4c(cc3=O)CCCC4)CC2)cc1C 1775965745 DTTJRLKRKQOLCL-LJQANCHMSA-N 423.557 3.445 0 40 HGAB COc1ccccc1-c1ccc(=O)n(C2CN(C(=O)C3(c4ccccc4)CC3)C2)n1 1888953162 JGSBAORGSCVKKY-UHFFFAOYSA-N 401.466 3.034 0 40 HGAB O=S(=O)(c1ccccc1F)N1CC[C@@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@H]21 1889211479 LATSQUUASVBTBH-IUODEOHRSA-N 415.412 3.139 0 40 HGAB COc1cc(C(=O)N2CC(O)C2)cc2c1O[C@@](C)(Cc1ccc(Cl)c(F)c1)C2 2037875307 OINUBYLZLDWDFU-NRFANRHFSA-N 405.853 3.241 0 40 HGAB CC(C)c1cc2oc(=O)c(I)c(O)c2c(=O)n1-c1ccccc1 704363 RMAWBWQZZAPUNF-UHFFFAOYSA-N 423.206 3.378 0 40 HGAB CC(=O)N1CCN(c2nc(CN3CCCCC3)nc3sc4c(c23)CCCC4)CC1 3279282 PCVNRLPECJHLMR-UHFFFAOYSA-N 413.591 3.225 0 40 HGAB CN(C(=O)COC(=O)CNC(=O)c1sc2ccccc2c1Cl)c1ccccc1 3309467 LNXDSISMNMAOHG-UHFFFAOYSA-N 416.886 3.491 0 40 HGAB aggregator COc1ccccc1-c1nnc(SCC(=O)Nc2cccc(Cl)c2C)n1N 3316163 JRILZVLSGWREDQ-UHFFFAOYSA-N 403.895 3.360 0 40 HGAB CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)COC(=O)c1cnccn1 3524680 NMKDTOGZPDEWBG-UHFFFAOYSA-N 411.439 3.177 0 40 HGAB CCCCNC(=S)N(Cc1cc2ccc(OC)cc2[nH]c1=O)C[C@H]1CCCO1 4133178 DOMIAINXKRPDKW-GOSISDBHSA-N 403.548 3.192 0 40 HGAB O=C(COC(=O)c1ccccc1N1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@@H]2C1=O)c1ccccc1 4157362 MZWAKOAEORXZOL-GQSCTRQFSA-N 403.434 3.262 0 40 HGAB NC(=O)c1c(NC(=O)c2cccc(N3C(=O)CCC3=O)c2)sc2c1CCCCC2 4176886 BIAIQUPQYKQSTB-UHFFFAOYSA-N 411.483 3.022 0 40 HGAB CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2cccc(Br)c2)C1=O 4477315 GHMVWFZVIZIPIK-LJQANCHMSA-N 416.275 3.245 0 40 HGAB Cn1c(SCC(=O)Nc2nccs2)nnc1-c1ccccc1Br 4735858 PRSAJKJOENGSAH-UHFFFAOYSA-N 410.322 3.432 0 40 HGAB O=C(c1nn(-c2ccccc2)c(=O)c2ccccc12)N1CCN(c2ccccc2)CC1 4906401 QNAWQSCZCGNBMW-UHFFFAOYSA-N 410.477 3.348 0 40 HGAB COc1ccc(CCN(C)C(=O)CSc2nnc(-c3ccco3)o2)cc1OC 5813929 RPCDWSYXJGNKQW-UHFFFAOYSA-N 403.460 3.140 0 40 HGAB Cc1ccc(NS(=O)(=O)c2cccs2)cc1S(=O)(=O)N1CCCCC1 5881834 CCGLDKRZAOREEZ-UHFFFAOYSA-N 400.547 3.032 0 40 HGAB CC[C@H](C)n1c(SCC(=O)Nc2sccc2C(N)=O)nc2ccccc2c1=O 6542033 BQTJTKAZTVGHOJ-NSHDSACASA-N 416.528 3.259 0 40 HGAB O=C(O)C[C@H](CNC(=O)COc1ccc2ccc(=O)oc2c1)c1ccc(Cl)cc1 6759341 AIGSBBRMQLXAIM-OAHLLOKOSA-N 415.829 3.200 0 40 HGAB Cc1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccc(Br)s1 6819367 DWHQLUVBTQAUCQ-UHFFFAOYSA-N 403.323 3.078 0 40 HGAB CN(C(=O)CSc1nnc(N)s1)[C@@]1(c2ccccc2Cl)CCCCC1=O 7253727 PUZSIZFZJZKOPS-QGZVFWFLSA-N 410.952 3.363 0 40 HGAB NC(=O)N[C@@H](CC(=O)OCC(=O)c1ccc[nH]1)c1cccc(Oc2ccccc2)c1 7984915 VEUGHTUGUGNNGY-IBGZPJMESA-N 407.426 3.333 0 40 HGAB C[C@@H]1C=CC[C@@H]2C(=O)N(c3ccc(C(=O)OCC(=O)Nc4ccccc4)cc3)C(=O)[C@@H]21 8411165 FJTNDEXFEYLNCB-MFMILTCTSA-N 418.449 3.184 0 40 HGAB CC(C)(C)C(=O)NC(=S)N1CCN(c2c(F)c(F)c(Cl)c(F)c2F)CC1 8555882 QZLNRXHAPSUWSS-UHFFFAOYSA-N 411.852 3.466 0 40 HGAB CC(C)Oc1ccc(S(=O)(=O)N2CCCCC2)cc1NCC(=O)NC1CCCC1 9368245 WTSSYRMWFHZGOR-UHFFFAOYSA-N 423.579 3.119 0 40 HGAB Cc1cc(S(=O)(=O)N(C)C)cc(NCC(=O)NC23CC4CC(CC(C4)C2)C3)c1C 9368672 SUBDCYGPDPZZCU-UHFFFAOYSA-N 419.591 3.051 0 40 HGAB Cc1occc1-c1nnc(SCC(=O)Nc2ccc(N3CCCCC3)cc2)n1N 9376453 NDEYUEQAJBFJNK-UHFFFAOYSA-N 412.519 3.281 0 40 HGAB O=C(NCCc1ccc2c(c1)OCCO2)c1nccnc1-c1nc2ccccc2s1 9777748 DZGIHCFWDNPTQQ-UHFFFAOYSA-N 418.478 3.497 0 40 HGAB Cc1ccc(NC(=O)NC(=O)COC(=O)c2cc(C)nc3c2cnn3C(C)C)c(C)c1 10207819 CBHRBDSEMFPZMB-UHFFFAOYSA-N 423.473 3.443 0 40 HGAB COC(=O)C1=C(C(=O)c2cccs2)[C@H](c2ccc(C(C)C)cc2)n2nnnc2N1 10232420 GJTRALLWIYPRJF-KRWDZBQOSA-N 409.471 3.183 0 40 HGAB COc1ccc2cc(C(=O)N3C[C@H]4CC[C@]5(NC(=O)c6ccccc6N5)[C@H]4C3)[nH]c2c1 12086081 BWSCADHCDCKJFJ-SKDDIYDISA-N 416.481 3.210 0 40 HGAB Cc1csc(CN2C(=O)c3cccc(N4CCN(CC(C)(C)C)CC4)c3C2=O)n1 12151991 PHGQYESKIVPQEZ-UHFFFAOYSA-N 412.559 3.416 0 40 HGAB Cc1ccccc1OCC(=O)N1CCc2cc(S(=O)(=O)NC3CCCC3)ccc21 12289159 HLLUXRPLPRLQTF-UHFFFAOYSA-N 414.527 3.184 0 40 HGAB CN1C[C@@H](NC(=O)COc2ccccc2)C[C@H]1c1nc(-c2ccc(Cl)cc2)no1 12529801 NRWMIZDEXLSEST-WMZOPIPTSA-N 412.877 3.330 0 40 HGAB biogenic,in-vitro Cc1cc(C)n(CCC(=O)Nc2ccc(C)c(S(=O)(=O)N3CCCCCC3)c2)n1 12765884 YPGXUZKBWGEUGD-UHFFFAOYSA-N 418.563 3.402 0 40 HGAB O=C(NCc1ccccc1)C1CCN(C(=O)c2cccc(OC[C@H]3CCCO3)c2)CC1 12983203 SZBXHIQWAWOZCP-HSZRJFAPSA-N 422.525 3.413 0 40 HGAB O=C(O)c1cc2c(cc1NS(=O)(=O)c1cc(Cl)cc(Cl)c1)OCCO2 13090233 ZVRPUEJEJCAQQZ-UHFFFAOYSA-N 404.227 3.264 0 40 HGAB COc1ccccc1CNC(=O)[C@@H]1CC(=O)N(CCc2c[nH]c3ccc(F)cc23)C1 13944827 OMGDGHAVSXWOOS-QGZVFWFLSA-N 409.461 3.023 0 40 HGAB Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)NCCCN3CCOCC3)cc12 14185420 NUPOTQFZZVZBOF-UHFFFAOYSA-N 416.522 3.046 0 40 HGAB CCOC(=O)c1c(NC(=O)CN2CCC(C(=O)OCC)CC2)sc2c1CCCC2 16476439 IEJLSPAWBOHJTI-UHFFFAOYSA-N 422.547 3.017 0 40 HGAB Cc1cc(=O)n2c(n1)NC(Nc1cccc(C(F)(F)F)c1)=N[C@H]2c1cccnc1 17081825 NPBAGHLWJSUYFG-MRXNPFEDSA-N 400.364 3.406 0 40 HGAB CCC(=O)N1CCN(c2ccccc2NC(=S)NC(=O)c2ccc(F)cc2)CC1 17089921 ZOSWRPSUWBPJAM-UHFFFAOYSA-N 414.506 3.011 0 40 HGAB Cc1ccc(OCCNC(=O)COc2ccc(I)cc2)cc1 18074864 VQEOONWPHHPYMZ-UHFFFAOYSA-N 411.239 3.174 0 40 HGAB CC(=O)N1CC[C@H](c2nc(C)cc(NCC3(c4cccc(F)c4)CCOCC3)n2)C1 19118248 YHVHWCRUCROWBH-SFHVURJKSA-N 412.509 3.420 0 40 HGAB Cc1cc2n(n1)[C@@H](C(F)F)C[C@@H]([C@H]1CCCN(C(=O)CCc3cccnc3)C1)N2 19127809 SQWRIVXRHGVISQ-OKZBNKHCSA-N 403.477 3.448 0 40 HGAB O=C(c1cccs1)N1CCc2nc([C@@H]3CCCN(C4CCCC4)C3)[nH]c(=O)c2C1 19342752 IOXNYFAVOAODFD-OAHLLOKOSA-N 412.559 3.152 0 40 HGAB CCn1cncc1C(=O)NCCn1nc(-c2ccc(F)cc2)cc1-c1cccnc1 19578519 BPVYTHQKGZFBIE-UHFFFAOYSA-N 404.449 3.398 0 40 HGAB Cc1ccc(-c2cnc(NC(=O)CCCN3C(=O)NC4(CCCC4)C3=O)n2C)cc1C 19666550 CIPFMHIMWNGOTC-UHFFFAOYSA-N 423.517 3.287 0 40 HGAB COc1cccc([C@@H]2CCCN2C(=O)CCC(=O)N2CC(=O)Nc3ccccc32)c1 19718180 QLVFSQUCMNMTSN-IBGZPJMESA-N 407.470 3.124 0 40 HGAB COc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3csnn3)CC2)c1 19746982 YGHZZYGBUCNLRH-LJQANCHMSA-N 414.531 3.094 0 40 HGAB COc1ccccc1[C@H](C)NC(=O)CN(C)S(=O)(=O)c1c(C)cc(C)cc1C 20013140 XPOHTSVJPDGLAA-KRWDZBQOSA-N 404.532 3.118 0 40 HGAB CCC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(OCC)cc1 22247768 SQBVKDRHWUPHBD-UTKZUKDTSA-N 418.559 3.280 0 40 HGAB Cc1cnc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccccc2F)s1 23055197 QVQJPGYCKRRDPC-INIZCTEOSA-N 419.503 3.119 0 40 HGAB O=C(NC1CCCC1)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccccc2F)C1 23119491 ZPYDJPKFIPZOHS-HNNXBMFYSA-N 409.461 3.490 0 40 HGAB COc1cccc(CSc2nc(O)cc(CC(=O)NCc3cccs3)n2)c1 23138111 TUPFFXIPESUVRJ-UHFFFAOYSA-N 401.513 3.404 0 40 HGAB C[C@@H]1CCc2c(sc3nc(CN4CCOCC4)nc(-n4nnc5ccccc54)c23)C1 24496157 SYHRQDUNDNEBGX-CQSZACIVSA-N 420.542 3.382 0 40 HGAB Cc1cccc(OCCN(C)C(=O)Cc2c(C)nn(-c3nc(C)cc(C)n3)c2C)c1 24635106 YBHJBXUHPJDAES-UHFFFAOYSA-N 407.518 3.284 0 40 HGAB Cc1cc(Br)ccc1NC(=O)CNC(=O)NCCc1ccc(F)cc1 24986915 RHODQLCLHZYSEJ-UHFFFAOYSA-N 408.271 3.377 0 40 HGAB O=C(CN1CCCN(Cc2ccc(F)cc2)CC1)Nc1ccc2c(c1)OCCCO2 25072330 NGMNSPWEIRLPSA-UHFFFAOYSA-N 413.493 3.133 0 40 HGAB COC(=O)c1ccc2[nH]c3c(c2c1)CN(C(=O)CCc1ccc(OC)c(OC)c1)CC3 25451585 AGYMYCJPXHCITF-UHFFFAOYSA-N 422.481 3.489 0 40 HGAB CCOC(=O)c1ccc(N(C)CC(=O)Nc2ccc(OCC)c(OCC)c2)nc1 25492567 HAOLDGTXZDNIND-UHFFFAOYSA-N 401.463 3.131 0 40 HGAB CCc1ccc2oc(C(=O)NC[C@@H](c3cccs3)N3CCOCC3)cc(=O)c2c1 28289728 GWTALZCBKVHKNE-KRWDZBQOSA-N 412.511 3.220 0 40 HGAB O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1cc(-n2cnnn2)ccc1Cl 32073605 JYORWHYYVVMTGV-UHFFFAOYSA-N 401.257 3.423 0 40 HGAB O=C(Cn1c(=O)nc(-c2ccco2)c2nc(N3CCCC3)sc21)Nc1ccccc1 32615293 ASYCYUINMKECME-UHFFFAOYSA-N 421.482 3.352 0 40 HGAB CCN(Cc1ccc2c(c1)OCCO2)C(=O)C1CCN(C(=O)OC(C)(C)C)CC1 32740821 CRFBBPPJLIOUIJ-UHFFFAOYSA-N 404.507 3.453 0 40 HGAB Cc1nc2ccccc2nc1COC(=O)c1sccc1S(=O)(=O)N1CCCC1 32901248 CACBNMUDDNGSFK-UHFFFAOYSA-N 417.512 3.141 0 40 HGAB O=C(c1cc(-c2cccs2)n([C@@H]2CCS(=O)(=O)C2)n1)N1CCc2ccccc21 33325429 PDMITGBZDDVHNW-OAHLLOKOSA-N 413.524 3.174 0 40 HGAB CC(=O)c1ccc(-n2nnnc2SCC(=O)Nc2nc3ccccc3s2)cc1 35288816 UZLCKXWFPDXEHY-UHFFFAOYSA-N 410.484 3.205 0 40 HGAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)Nc1ccccc1C(F)(F)F)O2 38849826 RKEFYKJFZPSSBA-MRXNPFEDSA-N 414.405 3.180 0 40 HGAB O=C(Nc1cccc(Cn2cncn2)c1)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 40146950 XITJBGXUBXPKBV-GOSISDBHSA-N 423.904 3.471 0 40 HGAB C[C@@H]1CN(c2ccccc2NC(=O)N(C[C@@H]2CCCO2)C[C@@H]2CCCO2)C[C@@H](C)O1 40151795 ZDFVIULGOCFCES-ZRNYENFQSA-N 417.550 3.492 0 40 HGAB CN1C(=O)c2ccccc2[C@@H](C(=O)Nc2nccs2)[C@@H]1c1ccc2c(c1)OCO2 40284057 AKDPOMNPYIUITJ-MSOLQXFVSA-N 407.451 3.421 0 40 HGAB CCC(CC)[C@H](CNC(=O)C(=O)Nc1cc(Cl)ccc1Cl)N1CCOCC1 41320257 FBPRCSXFMRDBML-KRWDZBQOSA-N 416.349 3.185 0 40 HGAB O=C(Nc1nncs1)[C@@H]1CCCN(C(=O)C2(c3cccc(Cl)c3)CCC2)C1 47479375 DNNPUZANPNOUHL-CYBMUJFWSA-N 404.923 3.491 0 40 HGAB O=C(CCC1CCCC1)NC1CCN(C(=O)c2cn(-c3ccc(F)cc3)nn2)CC1 49406099 KPYFWOXHQCQYRP-UHFFFAOYSA-N 413.497 3.098 0 40 HGAB Cc1ccc(S(=O)(=O)N(C)Cc2ncc(C(=O)O)c(Nc3ccccc3)n2)cc1 49469744 SLNYHJDAOJWWOG-UHFFFAOYSA-N 412.471 3.048 0 40 HGAB CCc1cc(=O)n(CC(=O)Nc2cc(OC)ccc2OC)c(-c2ccc(F)cc2)n1 57508591 RAQUPEDMOLTBOX-UHFFFAOYSA-N 411.433 3.268 0 40 HGAB CCc1cccc(CC)c1NC(=O)C(=O)N[C@@H](c1cccc(OC)c1)c1nccn1C 58154269 QJWSJFLBUGDTCG-NRFANRHFSA-N 420.513 3.398 0 40 HGAB Cc1ccc(-c2nc(CS(=O)(=O)Cc3cc(=O)n4cc(C)ccc4n3)co2)c(C)c1 58407234 WWKMARUIYIASCA-UHFFFAOYSA-N 423.494 3.390 0 40 HGAB CC(=O)c1cccc(NC(=O)CNC(=O)N2CCN(c3cccc(Cl)c3)CC2)c1 61719310 DSDACWSBZYIGPA-UHFFFAOYSA-N 414.893 3.013 0 40 HGAB COc1ccccc1OCCN1C(=O)[C@](O)(CC(=O)c2ccco2)c2ccccc21 68713380 KPNKOOXJIVXMFS-QHCPKHFHSA-N 407.422 3.174 0 40 HGAB COc1ccc(C(=O)Nc2ccc(-n3cc(Br)cn3)nc2)cc1OC 72401794 GWLDPUIFRGKNRD-UHFFFAOYSA-N 403.236 3.299 0 40 HGAB Cc1cnc(N2CCN(S(=O)(=O)c3ccc(OC(F)F)c(Cl)c3)CC2)s1 79017763 KCCNNCZZGOFWPL-UHFFFAOYSA-N 423.894 3.217 0 40 HGAB COc1ccccc1-c1nn(Cc2ccccc2)cc1CN1CCC[C@H](C(N)=O)C1 95430324 GJEDYGZJJYVTSN-IBGZPJMESA-N 404.514 3.304 0 40 HGAB CC(C)CN1[C@H]2CCN(Cc3cccnc3)CC[C@@H]2Oc2ccccc2S1(=O)=O 96145769 SLPNJTNFVWQOML-PMACEKPBSA-N 415.559 3.154 0 40 HGAB COc1cc2oc(=O)cc(C)c2cc1CCC(=O)NCc1nc2ccccc2n1C 96221910 IMOVHNBSLRIFEO-UHFFFAOYSA-N 405.454 3.246 0 40 HGAB biogenic C[C@H](C(=O)Nc1ccccc1C(F)(F)F)N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O 102085794 FEYUASDLODHQMK-GDXVFDCMSA-N 404.388 3.086 0 40 HGAB Cc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3cccc(Cl)c3)CC2=O)cc1C 107307574 MUVVVBFVPDUNJK-OAHLLOKOSA-N 400.862 3.492 0 40 HGAB C[C@@H](C(=O)N[C@@H]1CCCc2ccccc21)N(c1ccc(F)c(F)c1)S(C)(=O)=O 113956644 JNZWOEXPFRMUTR-ORAYPTAESA-N 408.470 3.313 0 40 HGAB CC[C@H](C)[C@H](NC(=O)N1CCc2[nH]cnc2[C@@H]1c1ccc(F)c(Cl)c1)C(=O)OC 211071705 GCFGODKLZVWZJP-PBQZTSCYSA-N 422.888 3.447 0 40 HGAB CCOc1ccccc1CN(C)C(=O)c1ccc(N2CCCCS2(=O)=O)cc1 224511151 IAVGGQNQLNTRND-UHFFFAOYSA-N 402.516 3.288 0 40 HGAB COc1cc2c(cc1S(=O)(=O)N(C)Cc1nc(-c3ccccc3)no1)CCCC2 225712315 CSXZTKRNRYXHIQ-UHFFFAOYSA-N 413.499 3.445 0 40 HGAB C[C@]1(Cc2ccc(Cl)c(F)c2)Cc2cc(CC(=O)NCCOCCO)ccc2O1 257201775 AIZYTOCJVNIANK-QFIPXVFZSA-N 421.896 3.083 0 40 HGAB CC(=O)N1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)N2C(=O)c1ccnc(C)n1 257203767 AROUBKPCKFOBPE-ACUMWEPGSA-N 418.541 3.400 0 40 HGAB CC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](CCNC(=O)c4cccc(F)c4)OCC[C@@]31C2 257280879 OMTVPTJDZHNBMJ-XDACAXMVSA-N 402.510 3.292 0 40 HGAB CN(C)c1ncc(-c2ccccn2)c([C@H]2CC[C@H](CNC(=O)[C@@H]3CCCO3)CC2)n1 257281806 ORBRGKIALRZMFL-ZWOKBUDYSA-N 409.534 3.174 0 40 HGAB CCCCC(=O)N1CCC[C@](COc2ccccc2)(CC(=O)N2CCN(C)CC2)C1 257296562 RDIRYIPFHSEXRY-DEOSSOPVSA-N 415.578 3.029 0 40 HGAB Cc1cccnc1Nc1cccc(C2CCN(C(=O)[C@H](C)CN3CCOCC3)CC2)n1 257332424 XXGWFLICHIXMKD-LJQANCHMSA-N 423.561 3.203 0 40 HGAB COc1ccccc1-c1ccc2c([C@H]3CN(C(=O)c4ccco4)CCN3C)nnn2c1 306134739 NWTNULSAFMFQKR-LJQANCHMSA-N 417.469 3.127 0 40 HGAB CC(=O)c1cccc(N(CC(=O)Nc2cccc(OC(C)C)c2)S(C)(=O)=O)c1 408617555 HCBZWKXWOSUJKW-UHFFFAOYSA-N 404.488 3.081 0 40 HGAB CC1=C(C(N)=O)[C@@H](c2ccccc2)NC(SCC(=O)Nc2ccc(C)c(C)c2)=N1 408991871 RHZGDYZASXNSHZ-HXUWFJFHSA-N 408.527 3.435 0 40 HGAB CCN(CC)C(=O)COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 409392242 QNBDIMQCLOGVGB-UHFFFAOYSA-N 402.516 3.075 0 40 HGAB COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N2CC[C@@H](C(N)=O)C2)c(OC)c1 512998380 VPUCDBSINCWSMK-OAHLLOKOSA-N 421.497 3.119 0 40 HGAB Cc1nc2ccccn2c(=O)c1CCN1CCC[C@H](c2n[nH]c(-c3ccccc3)n2)C1 566707298 PBDCFXGIVRHJPG-IBGZPJMESA-N 414.513 3.210 0 40 HGAB O=C(c1ccccc1CN1CCCC1)N1CCOC[C@H](Cc2cccc3[nH]ncc23)C1 585261881 HWPCJTUHBFYCSJ-LJQANCHMSA-N 418.541 3.490 0 40 HGAB CC(C)(C)[C@H]1CC[C@](O)(CN2CCOC[C@@](O)(COc3cccc(F)c3)C2)CC1 585282234 CCJFJGCNWQSEGF-YFXJRYMSSA-N 409.542 3.235 0 40 HGAB Cc1ccc2c(Cl)c(C(=O)N3CCC(N4CCC[C@@H]4C(N)=O)CC3)sc2c1 591450775 LYJISVKJCWTMTQ-OAHLLOKOSA-N 405.951 3.417 0 40 HGAB Cn1c(=O)oc2ccc(S(=O)(=O)N[C@@H](c3ccsc3)c3cccs3)cc21 618255342 BDUNHWUIIDARHU-INIZCTEOSA-N 406.510 3.322 0 40 HGAB CC(C)(C)c1nc2ccccc2n1C1CN(C(=O)Cn2c(=O)oc3ccccc32)C1 1889295570 FCHQXHLKOKIUBU-UHFFFAOYSA-N 404.470 3.325 0 40 HGAB COC(=O)[C@H](Cc1ccccc1)NC(=O)CSc1ncnc2sc(C)c(C)c12 2641268 OICCSEMHRYIWHG-HNNXBMFYSA-N 415.540 3.301 0 40 HGAB CCOC(=O)c1[nH]c2ccccc2c1NC(=O)c1ccc(N2C(=O)CCC2=O)cc1 2721995 YZFVCTSZLDJPMH-UHFFFAOYSA-N 405.410 3.250 0 40 HGAB O=C(NCc1ccc(Cl)cc1)c1ccc(Cn2nnc3ccccc3c2=O)cc1 2932847 ZICVOMAXOULMNT-UHFFFAOYSA-N 404.857 3.423 0 40 HGAB Cc1ccc(S(=O)(=O)c2nc(-c3ccccc3F)oc2N2CCOCC2)cc1 4143331 XOXUCFSGRMLWSA-UHFFFAOYSA-N 402.447 3.459 0 40 HGAB Cc1cc(NC(=O)CN2C(=O)N[C@]3(CCCC[C@H]3C)C2=O)ccc1Br 4515433 CUXBEEBBNICWRL-XIKOKIGWSA-N 408.296 3.197 0 40 HGAB O=C(C[C@@]1(O)C(=O)N(Cc2ccc3c(c2)OCO3)c2ccccc21)c1ccccc1O 4544868 HEHYKPZUGBGGEC-DEOSSOPVSA-N 417.417 3.128 0 40 HGAB O=C(NCC[C@@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1)NC1CCCCC1 4554098 IPDWBDONPHTYJB-SFHVURJKSA-N 411.543 3.391 0 40 HGAB CCOc1ccccc1NC(=O)COC(=O)[C@H]1CC(=O)N(c2ccccc2CC)C1 4942422 RTHHTJYREUIYDL-KRWDZBQOSA-N 410.470 3.183 0 40 HGAB Cc1ccc(Cl)cc1-n1nnnc1SCC(=O)Nc1ccc2nccnc2c1 5346998 YIQWYYQZYNWOCV-UHFFFAOYSA-N 411.878 3.298 0 40 HGAB COc1ccc(C(=O)NCc2ccc(F)cc2)cc1S(=O)(=O)N1CCCC[C@H]1C 5466507 CSPWCADUNZTOEE-OAHLLOKOSA-N 420.506 3.327 0 40 HGAB Cc1cccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccccc3Cl)CC2=O)c1C 5934181 XLHQAHXRWPRADI-HNNXBMFYSA-N 400.862 3.492 0 40 HGAB CCOC(=O)Nc1ccc2c(Cn3ncc(Cl)c(Cl)c3=O)cc(=O)oc2c1 5992458 FNVPYHWQAYCSHQ-UHFFFAOYSA-N 410.213 3.273 0 40 HGAB CCc1noc(C)c1C(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)nc(C)n2)cc1 6553657 CHXGROLJZRNIID-UHFFFAOYSA-N 415.475 3.005 0 40 HGAB Cc1nn(CC(=O)Nc2cccc(Cl)c2)c(C)c1S(=O)(=O)N1CCC(C)CC1 7025416 ROCVGVUIUBCHFB-UHFFFAOYSA-N 424.954 3.213 0 40 HGAB CC[C@H](Oc1ccccc1OC)C(=O)Nc1cc(C(=O)OC)cc(C(=O)OC)c1 8558405 XTEFONJQZDFGSN-INIZCTEOSA-N 401.415 3.065 0 40 HGAB CC[C@H](C)Cc1c(C)sc2nc(SCc3nc(N)nc(N(C)C)n3)[nH]c(=O)c12 8941885 MKEWZFIKZGYOJP-VIFPVBQESA-N 419.580 3.007 0 40 HGAB CCCNS(=O)(=O)c1cc(C(=O)Nc2ccc(F)c(Cl)c2)ccc1OC 9063888 WDQIFROQBAAZCL-UHFFFAOYSA-N 400.859 3.428 0 40 HGAB Cc1ccccc1N1C(=O)N[C@@](NC(=O)CCc2ccccc2)(C(F)(F)F)C1=O 9419443 PVPMFHUBKYTODQ-LJQANCHMSA-N 405.376 3.059 0 40 HGAB COc1ccc(C)cc1NC(=O)[C@H]1CC(=O)Nc2nc(SCc3ccccc3)nn21 9427138 VQODDXPGLPTNDA-MRXNPFEDSA-N 423.498 3.409 0 40 HGAB CC(C)(C)n1nnnc1S[C@@H]1CCCCN(C(=O)c2ccc(Cl)cc2)C1=O 9465528 PAZAPKGGPUTKDN-CQSZACIVSA-N 407.927 3.395 0 40 HGAB CC(=O)C[C@]1(O)C(=O)N(CCCOc2ccccc2)c2ccc(Br)cc21 9872943 CUJUYSRJXVYNAA-HXUWFJFHSA-N 418.287 3.432 0 40 HGAB CCc1ccc(OCC(=O)Nc2cc(-c3nn4cnnc4s3)ccc2OC)cc1 10119963 AUWYSFZGQJUGDX-UHFFFAOYSA-N 409.471 3.441 0 40 HGAB Cc1cccc(C)c1OCC(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 10215322 HVJFPJPPSCTGEG-UHFFFAOYSA-N 410.470 3.288 0 40 HGAB COC(=O)C1=C(C(=O)c2cccs2)[C@@H](c2ccc(C(C)C)cc2)n2nnnc2N1 10232419 GJTRALLWIYPRJF-QGZVFWFLSA-N 409.471 3.183 0 40 HGAB CN(C)CCN(C(=O)c1cccc(F)c1)c1nc2c(S(C)(=O)=O)cccc2s1 10337314 JFVAJYIELVSZDO-UHFFFAOYSA-N 421.519 3.047 0 40 HGAB COc1cccc(NC(=O)COc2ccc(C(=O)OCC(=O)c3ccc[nH]3)cc2)c1 10787338 HMTYSQRJJNCICV-UHFFFAOYSA-N 408.410 3.081 0 40 HGAB COc1ccc(OCC(=O)N[C@H](c2nc3c4c(C)c(C)oc4ncn3n2)C(C)C)cc1 12236133 MHFYWDPTBQZTJS-IBGZPJMESA-N 423.473 3.388 0 40 HGAB Cc1nc(SCC(=O)N2CCC[C@H](c3nc4ccccc4cc3C(N)=O)C2)oc1C 12256231 JFMYBAQCSDFHCJ-INIZCTEOSA-N 424.526 3.437 0 40 HGAB Cn1ccnc1[C@@H](NS(=O)(=O)c1ccc(Br)cc1)c1ccc(F)cc1 12540646 CSVLEEVZVPJMHY-INIZCTEOSA-N 424.295 3.390 0 40 HGAB CCN(Cc1nc(-c2ccc(OC)c(OC)c2)no1)S(=O)(=O)c1ccc(C)cc1 12653796 LYXWVSVGJHHZFH-UHFFFAOYSA-N 417.487 3.273 0 40 HGAB Cc1cc(N2CCN([C@H](C)C(=O)Nc3ccc(F)cc3F)CC2)nc(C(C)C)n1 12783939 AQLJNTIKRNUVCJ-OAHLLOKOSA-N 403.477 3.336 0 40 HGAB C[C@@H](C(=O)Nc1sccc1C(N)=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 12796327 KWNGISCZCBLWBT-XJKSGUPXSA-N 415.515 3.172 0 40 HGAB O=C(Nc1ccccc1C(=O)O)c1ccc2c(c1)C(=O)N(c1ccc(O)cc1)C2=O 12843289 WAEFRGQGIVESOV-UHFFFAOYSA-N 402.362 3.143 0 40 HGAB COc1cccc2[nH]c(C(=O)N[C@@H](C)C(=O)NCCc3c[nH]c4ccccc34)cc12 12902824 SKEMYHYCULDBEK-AWEZNQCLSA-N 404.470 3.135 0 40 HGAB biogenic C[C@@H](C(=O)NCc1ccccc1Cl)N1CCC(C(=O)Nc2ccccc2O)CC1 12910523 BIGXDZNUFPUCKL-HNNXBMFYSA-N 415.921 3.401 0 40 HGAB C[C@H](NC(=O)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1)c1ccccc1Cl 12911734 DANXRVOJGKGIRP-GOEBONIOSA-N 422.934 3.288 0 40 HGAB COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)COc1ccccc1C(C)(C)C 13005401 CJOAILFIWJHBEH-UHFFFAOYSA-N 423.513 3.275 0 40 HGAB COc1cccc(CN(C)C(=O)CSCC(=O)Nc2ccc(C)cc2)c1OC 13010612 BPIDVCRHFQSENN-UHFFFAOYSA-N 402.516 3.343 0 40 HGAB Cc1nn2c(=O)cc(COc3cccc(NC(=O)c4ccc(F)cc4)c3)nc2s1 13367807 KDEYQJCKVNWUGU-UHFFFAOYSA-N 410.430 3.430 0 40 HGAB CCS(=O)(=O)N1C[C@@H](C(=O)Nc2ccccc2C(F)(F)F)Oc2ccccc21 13678005 PANRFEFRJMADQE-INIZCTEOSA-N 414.405 3.261 0 40 HGAB CS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)C1 13791315 KFMYPGJZRQNQNF-OAHLLOKOSA-N 420.918 3.181 0 40 HGAB CCCOC(=O)c1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N(C)C)c2)cc1 14665383 ISPGRHAOUKGOLH-UHFFFAOYSA-N 424.906 3.409 0 40 HGAB COc1ccc2cc3c(nc2c1)N(S(=O)(=O)c1ccc(OC)c(OC)c1)CC3 15842179 ZDDDPYWYHYPKEQ-UHFFFAOYSA-N 400.456 3.012 0 40 HGAB O=C(CN(Cc1ccccc1Cl)C(=O)c1csnn1)NCc1ccc(F)cc1 15935726 FWGWDLOJVPPFJI-UHFFFAOYSA-N 418.881 3.289 0 40 HGAB Cc1ccccc1-c1noc([C@H]2CN(S(=O)(=O)c3cccc(Cl)c3)CCO2)n1 19237527 HYFAFBORBMKBKK-QGZVFWFLSA-N 419.890 3.461 0 40 HGAB Cc1nc(C)n(C[C@H](C)C(=O)Nc2nc3c(s2)CN(Cc2ccccc2)CC3)n1 19285969 LIFFDAPRVVJXRK-AWEZNQCLSA-N 410.547 3.185 0 40 HGAB COc1ccc([C@H]2c3nc[nH]c3CCN2C(=O)Cc2ccc3c(c2)C[C@H](C)O3)cc1 19498097 GUJAXUHOOHILNQ-OWJWWREXSA-N 403.482 3.459 0 40 HGAB COc1ccccc1CC(=O)N(C)Cc1nc(N2CCCC2)ncc1-c1ccncc1 19586353 KSNORLHBJRGMSY-UHFFFAOYSA-N 417.513 3.349 0 40 HGAB CCOc1cccc(CNC(=O)[C@@H](CC)N(c2ccc(F)cc2)S(C)(=O)=O)c1 20050926 DQDKQIIKHQYGAL-LJQANCHMSA-N 408.495 3.085 0 40 HGAB Cc1cc(NC(=S)NC(=O)c2cccc(Br)c2)cc(C(=O)O)c1O 20151812 AHYDJDZASHIAPU-UHFFFAOYSA-N 409.261 3.288 0 40 HGAB COc1ccccc1Cn1c(=O)c2cccnc2n(Cc2ccc(Cl)cc2)c1=O 20861177 CQDQTXLPGZQEJR-UHFFFAOYSA-N 407.857 3.317 0 40 HGAB CCc1ccc(N(CC(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)S(C)(=O)=O)cc1 22361665 ACJPVYMLRNTWBZ-LJQANCHMSA-N 416.543 3.434 0 40 HGAB CC(C)c1cccc(N2C[C@@H](C(=O)Nc3ccc(S(C)(=O)=O)cc3)CC2=O)c1 23022369 BLORCENLGFDOBY-INIZCTEOSA-N 400.500 3.205 0 40 HGAB O=C(c1ccoc1)N1CCC(NC(=O)C2(c3ccc4c(c3)OCCO4)CCCC2)CC1 24467377 KOVXMMFMLUGKQM-UHFFFAOYSA-N 424.497 3.284 0 40 HGAB CCc1nc(C)c2c(C)c(C(=O)N(C)Cc3nc4ccsc4c(=O)[nH]3)sc2n1 24746594 VBRSOQZBMCGMMF-UHFFFAOYSA-N 413.528 3.441 0 40 HGAB CCN(CC(=O)NC(C)C)C(=O)Cc1csc2nc(-c3ccc(F)cc3)cn12 24776679 NURDZQUGFFWDCE-UHFFFAOYSA-N 402.495 3.118 0 40 HGAB CC(=O)N1c2ccc(C(=O)CSc3nc4sccc4c(=O)n3C)cc2C[C@@H]1C 24827204 NFDSZKFIDGDPFX-NSHDSACASA-N 413.524 3.268 0 40 HGAB C[C@@H]1Oc2ccccc2N(CC(=O)Nc2cccc(I)c2)C1=O 26068185 GMYCLNJJZBLSQZ-NSHDSACASA-N 422.222 3.044 0 40 HGAB CCOc1ccccc1C(=O)Nc1nnc(S(=O)(=O)Cc2ccc(C)cc2)s1 27663685 OBNQVPKDGLIKOQ-UHFFFAOYSA-N 417.512 3.471 0 40 HGAB O=C(NCc1ccc2c(c1)OCO2)c1ccc(Cn2cc(Br)cn2)cc1 27970041 TVNJKXPHATZBMB-UHFFFAOYSA-N 414.259 3.353 0 40 HGAB CCc1ccc(C(=O)[C@H](C)Sc2ccc(S(=O)(=O)N3CCOCC3)cn2)cc1 31751834 BYCOPDNOXJGUNE-HNNXBMFYSA-N 420.556 3.028 0 40 HGAB Cc1ccc(SCCNCc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2C)cc1C 32740422 SGPVLTJHTWJPRE-SFHVURJKSA-N 407.605 3.358 0 40 HGAB CCCC[C@@H](CC)CNS(=O)(=O)c1cc2c(cc1Br)NC(=O)CO2 32825708 QTIRWUBCXKQFKU-LLVKDONJSA-N 419.341 3.275 0 40 HGAB Cc1nc(C2(NC(=O)Cn3cc(C(F)(F)F)cc(Cl)c3=O)CCCCC2)no1 32876197 IXRYNMRDNGPZIK-UHFFFAOYSA-N 418.803 3.188 0 40 HGAB O=S1(=O)CC[C@@H](N(Cc2cccs2)Cn2nc(C3CC3)n(C3CC3)c2=S)C1 32888207 WPVYSBGSORIMPW-OAHLLOKOSA-N 424.617 3.335 0 40 HGAB COc1ccc(OC[C@@H](O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 32907325 HRGDLWODGXJKPQ-KGLIPLIRSA-N 400.500 3.031 0 40 HGAB COc1ccc(-n2cnc3c2NC(=O)C[C@H]3c2cc3c(c(OC)c2OC)OCO3)cc1 35324405 WNSVCBORQGDLSQ-AWEZNQCLSA-N 423.425 3.101 0 40 HGAB O=C(Cc1csc(NC(=O)c2ccccc2F)n1)Nc1ccc(-n2ccnc2)nc1 40106612 QBXJYIXWDBGCIM-UHFFFAOYSA-N 422.445 3.296 0 40 HGAB C[C@@]1(c2cccc(NC(=O)Cc3csc(-c4ccsc4)n3)c2)NC(=O)NC1=O 40111163 YAQIZFIXQIWYNY-IBGZPJMESA-N 412.496 3.107 0 40 HGAB Cc1ccc(-n2nnc(C(=O)N(C)Cc3nc4ccsc4c(=O)[nH]3)c2C(C)C)cc1 40145199 CXVVPDFNTZKQGC-UHFFFAOYSA-N 422.514 3.269 0 40 HGAB CC[C@H]1CCCCN1C(=O)[C@H](C)S(=O)(=O)Cc1cc(Cl)c2c(c1)OCO2 48253314 OTTSWEABXVPZGT-JSGCOSHPSA-N 401.912 3.163 0 40 HGAB O=C(Cn1cnc2c(-c3ccncc3)nsc2c1=O)Nc1ccc(F)c(Cl)c1 49401653 FNVFOEZPXXZCSU-UHFFFAOYSA-N 415.837 3.346 0 40 HGAB CNC(=O)c1ccc(CN(C)c2cnn(-c3ccc(F)cc3F)c(=O)c2Cl)cc1 51454002 LRMKYDCKQJEHOE-UHFFFAOYSA-N 418.831 3.160 0 40 HGAB NC(=O)[C@@H]1CN(c2nc(/C=C/c3ccccc3)nc3sc4c(c23)CCCC4)CCN1 57580535 KVSCXPXXZPZVCV-DVQDXYAYSA-N 419.554 3.004 0 40 HGAB CCn1c(SCC(=O)N2CCN(C)CC2)nnc1-c1ccc(Cl)cc1Cl 58026036 SQZBWKOZEREUCO-UHFFFAOYSA-N 414.362 3.138 0 40 HGAB NC(=O)c1ccc(-c2nc(COC(=O)c3cncc(Br)c3)cs2)cc1 63896202 OQZRFQDCAGVNMJ-UHFFFAOYSA-N 418.272 3.424 0 40 HGAB O=C(Nc1cccc(F)c1)[C@@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1 64985365 OKUDITHGBFBJEX-FQEVSTJZSA-N 412.442 3.421 0 40 HGAB O=S(=O)(NC[C@@H]1Cc2ccccc2O1)C1=Cc2ccc(OC(F)F)cc2CC1 65264107 IWRDCOPWDVLIKH-KRWDZBQOSA-N 407.438 3.498 0 40 HGAB CSc1cccc(NC(=O)Cn2c(-c3ccccc3)nc(C)c(CCO)c2=O)c1 67300263 VFISQNNMIVNDAH-UHFFFAOYSA-N 409.511 3.114 0 40 HGAB O=C(Cn1c(=O)cc(-c2nc(-c3ccccn3)no2)c2ccccc21)NC1CCCC1 67318604 GJIQFCJIQDUVEV-UHFFFAOYSA-N 415.453 3.172 0 40 HGAB COc1cc(C)c2[nH]c3c(c(=O)c2c1)CN(CC(=O)Nc1ccc(F)c(F)c1)CC3 67349962 WSGUVQHUDWYPJZ-UHFFFAOYSA-N 413.424 3.120 0 40 HGAB CC(C)N(C[C@H]1CCCN(C(=O)NCCCn2ccnc2)C1)C(=O)OC(C)(C)C 69369736 ORKRIUYMEIERDZ-SFHVURJKSA-N 407.559 3.340 0 40 HGAB Cc1c(C(=O)NC(C)C)nnn1-c1cccc2c1CCN(Cc1ccccc1F)C2 69843388 AICJOKLAQCVGQR-UHFFFAOYSA-N 407.493 3.411 0 40 HGAB Cc1nc(=O)c2ccccc2n1C1=CCN(C(=O)c2cc(-c3ccco3)on2)CC1 72348235 RLKZVSQHLXLUDY-UHFFFAOYSA-N 402.410 3.340 0 40 HGAB O=C(Nc1nc2c(s1)CN(C(=O)c1cc(-c3ccccc3)on1)CC2)[C@H]1CCCO1 77192040 QPSUYYRXMZINBO-MRXNPFEDSA-N 424.482 3.114 0 40 HGAB C[C@H]1Cc2cc(S(=O)(=O)NCc3nccn3Cc3ccccc3)cc(Cl)c2O1 95461762 JLUBEEIVGMSEHB-AWEZNQCLSA-N 417.918 3.387 0 40 HGAB COc1ccc(-c2nn([C@H](C)C(=O)Nc3nc(C)c(C)s3)c(=O)cc2OC)cc1 96101011 CAUDUISANZMIAC-GFCCVEGCSA-N 414.487 3.201 0 40 HGAB CC(C)Oc1ccc(NC(=O)c2cc(-c3cnc(N4CCOCC4)nc3)cn2C)cc1 96147583 KHAFBERWQLZGHG-UHFFFAOYSA-N 421.501 3.358 0 40 HGAB CN1C[C@H]2C3(CCN(C(=O)Nc4ccccc4)CC3)CC[C@@]2(C(=O)N2CCCC2)C1 96262433 CIQRTBIGLSPSAT-GBXCKJPGSA-N 410.562 3.265 0 40 HGAB COc1ccc(S(=O)(=O)N[C@H](C)c2c(-c3ccc(F)cc3)noc2C(=O)O)cc1 96296874 XMWFNCBRHFHKRK-LLVKDONJSA-N 420.418 3.227 0 40 HGAB biogenic,in-vitro O=C(Nc1cccnc1)C12C[C@@H]3C[C@@H](C1)CC(n1cnc(Br)n1)(C3)C2 101115118 KFKCMPWREBFSLQ-AGCBMJJTSA-N 402.296 3.370 0 40 HGAB CCc1ccc(-n2nc3c4cc(C(=O)NC[C@@H]5CCCO5)ccc4[nH]cc-3c2=O)cc1 101282355 FLFHXVRSRFYKFR-SFHVURJKSA-N 416.481 3.290 0 40 HGAB CCOc1ccc(NC(=O)[C@H](C)N(c2cc(C)ccc2OC)S(C)(=O)=O)cc1 220328058 RMZUFCIEKKMRLD-HNNXBMFYSA-N 406.504 3.196 0 40 HGAB COC(=O)c1cn(S(=O)(=O)c2ccc(N3CCCC3=O)c(C)c2)c2ccccc12 222615022 IZJHDBZHRRSBAI-UHFFFAOYSA-N 412.467 3.100 0 40 HGAB CCOC(=O)c1ccc(NS(=O)(=O)c2cc(C(=O)OC)ccc2Cl)c(C)c1 223842247 USYQVQAUKOUVQP-UHFFFAOYSA-N 411.863 3.413 0 40 HGAB CCOC(=O)CN(c1c(C)cccc1C)S(=O)(=O)c1ccc(OC)c(OC)c1 224793852 YJESSGVXZYLEQL-UHFFFAOYSA-N 407.488 3.079 0 40 HGAB CSc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(Br)cc2)cc1 224975687 FCOFFFGYFKTFHS-UHFFFAOYSA-N 416.318 3.451 0 40 HGAB Cc1ccc2c(c1)[C@H](NS(=O)(=O)c1nnc(NC(=O)C(C)C)s1)CC(C)(C)O2 224993271 LVXATMCQWNVGRU-CYBMUJFWSA-N 424.548 3.022 0 40 HGAB COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NCCOCc2ccccc2)cc1 225147678 NJEVDTXCEFODJF-JWGURIENSA-N 420.465 3.392 0 40 HGAB CC(C)C[C@H](NC(=O)COc1ccc(-c2cc3ccccc3c(=O)o2)cc1)C(=O)O 256027836 FMHUZXHPAFLPAE-IBGZPJMESA-N 409.438 3.454 0 40 HGAB COCCN1C(=O)Cc2c(C)nc([C@]3(C)CCCN(Cc4sccc4C)C3)nc21 257211789 CAKPGWUQPMZCMX-JOCHJYFZSA-N 414.575 3.244 0 40 HGAB CC(C)C(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](CCNC(=O)c4cncs4)OCC[C@@]31C2 257250149 JLFZDOADSMDLDP-UGDJUAFESA-N 419.591 3.245 0 40 HGAB Cc1nc(C[C@@H]2CCCN(C(=O)c3nccc4ccccc34)C2)cc(C(=O)N(C)C)n1 257280334 OKLHXIOKANQWCD-KRWDZBQOSA-N 417.513 3.130 0 40 HGAB CCN(CC)S(=O)(=O)N1CCO[C@@H](c2cc(Cc3ccc(F)cc3)cc(C)n2)C1 257285852 PJDYGWYQBFSMGP-OAQYLSRUSA-N 421.538 3.080 0 40 HGAB COc1ccc(NC(=O)[C@@]23C[C@H]2CN(c2c(C)cccc2C)S3(=O)=O)c(C)c1 260840385 UTIVTIYWBBLECS-HRAATJIYSA-N 400.500 3.168 0 40 HGAB O=C(NC[C@@H]1CCCO1)c1nc(-c2ccn(Cc3cccnc3)c2)n2ccccc12 306126864 FHHSOOPBWLJGIC-IBGZPJMESA-N 401.470 3.155 0 40 HGAB CC(C)CN1CCC2(CCCN(C(=O)c3ccsc3)[C@@H]2CNC(=O)N(C)C)CC1 306129936 IRDZWHBLACUMEQ-LJQANCHMSA-N 420.623 3.362 0 40 HGAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)cc1C 408559013 KWHQMFXBLORXMC-LBPRGKRZSA-N 416.421 3.328 0 40 HGAB CCCCOC(=O)c1ccc(NC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)cc1 408615559 QQKQNTYDARLERV-UHFFFAOYSA-N 422.478 3.187 0 40 HGAB CC1CCN([C@@H](CNC(=O)Cn2cc(Br)cn2)c2ccccc2)CC1 517464464 YUNQYJHIEMZCQT-SFHVURJKSA-N 405.340 3.235 0 40 HGAB O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCC[C@H](Oc2ncc(Cl)cn2)C1 575608044 DABIWAPWHCQDEZ-ZDUSSCGKSA-N 421.828 3.381 0 40 HGAB CCS(=O)(=O)N1CCC(C(=O)NCc2ccc(-c3ccccc3)cc2F)CC1 584070396 FRLVQEZMYYKEHZ-UHFFFAOYSA-N 404.507 3.171 0 40 HGAB O=C(CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]12)Nc1ccc2nc[nH]c2c1 604419712 SXJXZBAQXZCEMH-JOCHJYFZSA-N 423.432 3.316 0 40 HGAB CC1CCN(Cc2ccc(NC(=O)[C@@H]3CC(=O)N(C)[C@H]3c3cccnc3)cc2)CC1 605401463 UZLQPTFLRNASLT-GGAORHGYSA-N 406.530 3.472 0 40 HGAB CS(=O)(=O)N1CCC[C@H](c2nnc3sc(/C=C/c4ccc(Cl)cc4)nn23)C1 1501040371 MLEBWDICYJMQHF-PPGNKHEKSA-N 423.951 3.149 0 40 HGAB CC[C@@H](NC(=O)c1cc(-c2c[nH]c3ccccc23)[nH]n1)c1cccc(S(N)(=O)=O)c1 1633247387 YYTNPRUFCWCMRK-QGZVFWFLSA-N 423.498 3.087 0 40 HGAB Cc1cc(NC(=O)NCc2nc(-c3ccncc3)n[nH]2)ccc1NC(=O)c1ccco1 1666439788 CIXXLUSBHYDCJQ-UHFFFAOYSA-N 417.429 3.342 0 40 HGAB CCc1nnc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(F)c3)cc2)s1 942415 RNRXKRXRMMXRSM-UHFFFAOYSA-N 406.464 3.293 0 40 HGAB NS(=O)(=O)c1ccc(CNC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1 985305 LRAWLZJNTUZDHQ-UHFFFAOYSA-N 417.490 3.479 0 40 HGAB O=C(N[C@]1(C(F)(F)F)N=C(O)N(c2ccc(F)c(Cl)c2)C1=O)c1cccs1 2372170 DBDXBXZYYSTDIH-AWEZNQCLSA-N 421.759 3.490 0 40 HGAB C[C@@]1(C(=O)OCc2cc(=O)n3cc(Br)ccc3n2)CC1(Cl)Cl 3283876 AINAFLGAXJXZDM-ZDUSSCGKSA-N 406.063 3.084 0 40 HGAB COc1ccc(NC(=O)[C@H]2C[C@H](CCSC)N[C@]23C(=O)Nc2ccccc23)cc1 4090652 IIQYFUASRKRMOJ-REDKUUPNSA-N 411.527 3.213 0 40 HGAB biogenic C[C@H]1CCCC[C@@H]1NC(=O)CSc1nnc(-c2ccncc2)n1CCCN(C)C 4130374 RBTROSDHSMXYNG-WMZOPIPTSA-N 416.595 3.079 0 40 HGAB COc1ccc(C(=O)N(c2cc(C)cc(C)c2)[C@H]2C=CS(=O)(=O)C2)c(OC)c1 4165633 JDLUPEUYDBFUBW-INIZCTEOSA-N 401.484 3.278 0 40 HGAB Cc1ccccc1N1C[C@@H](C)Cn2c1nc1c2c(=O)n(Cc2ccccc2)c(=O)n1C 4249518 FRKMXLKUBBUQSM-MRXNPFEDSA-N 415.497 3.041 0 40 HGAB COc1ccc(OC)c(NC(=O)CSc2nnc(-c3ccccc3F)n2C)c1 4816114 CBBNVFHGUMASKU-UHFFFAOYSA-N 402.451 3.369 0 40 HGAB CCOc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(OC)cc3)C2)cc1 4861401 YAJZRKIQRAUGQB-INIZCTEOSA-N 418.515 3.133 0 40 HGAB Fc1cccc(-c2cc3nc4c(c(N5CCN(c6cnccn6)CC5)n3n2)CCC4)c1 4993935 KBJDVMMUOKWEIH-UHFFFAOYSA-N 415.476 3.141 0 40 HGAB COc1cc(CNCCSc2nnnn2C)cc(Cl)c1OCc1ccccc1 4998057 GDQJLMOGWURFDJ-UHFFFAOYSA-N 419.938 3.333 0 40 HGAB CCS(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C)C3)cc1 5241787 OFDFTTPSWBUZQL-NSHDSACASA-N 406.529 3.018 0 40 HGAB COc1ccc(C(=O)Nc2ccc(-c3ccc(N4CCOCC4)nn3)cc2)cc1OC 5259341 ODYQXTNKWHBOGW-UHFFFAOYSA-N 420.469 3.250 0 40 HGAB Cc1ccc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(Br)cc2)cc1C 6234117 GKCIPSZUAPKHQC-CYBMUJFWSA-N 411.321 3.371 0 40 HGAB CCN(Cc1ccc2c(c1)OCCO2)C(=O)CSc1nnc(C2CC2)n1CC 7533888 VEYXEZKWOFYYMT-UHFFFAOYSA-N 402.520 3.087 0 40 HGAB CCOC(=O)Cn1c([C@H]2CC(=O)N(c3cc(OC)ccc3OC)C2)nc2ccccc21 7544074 KALIWMCCKPBONE-HNNXBMFYSA-N 423.469 3.137 0 40 HGAB O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)Nc1ccc(N2CCCC2=O)cc1 7640208 XLVIGPNHQCQBDQ-UHFFFAOYSA-N 406.269 3.489 0 40 HGAB O=C(COC(=O)COc1ccc(Cl)cc1)Nc1ncc(Br)s1 8128703 TZUPFDWVRCCWHV-UHFFFAOYSA-N 405.657 3.120 0 40 HGAB C[C@@H](NC(=O)CSc1nnnn1C[C@H]1CCCO1)c1ccc(-c2ccccc2)cc1 8157411 HMTODGFCZIPKEU-OXQOHEQNSA-N 423.542 3.489 0 40 HGAB O=C1CN(C(=O)CN2CCC[C@@H](c3nc4ccccc4s3)C2)c2ccccc2N1 8249063 KUKHFRSBPSQBDQ-OAHLLOKOSA-N 406.511 3.461 0 40 HGAB O=C(COc1ccc(N2C[C@H](C(=O)O)CC2=O)cc1)Nc1cc(Cl)cc(Cl)c1 8732512 XBWZNOVMKWBMDR-LLVKDONJSA-N 423.252 3.448 0 40 HGAB Cc1cc(NC(=O)[C@H](C)SCC(=O)Nc2ccc(CN3CCCC3)cc2)no1 8750037 CFRFWWUPHGBQQB-HNNXBMFYSA-N 402.520 3.278 0 40 HGAB O=C(NCCc1c[nH]c2ccccc12)c1ccc(Cl)c(S(=O)(=O)NC2CC2)c1 9605711 LDIWAEYIYQBIPZ-UHFFFAOYSA-N 417.918 3.235 0 40 HGAB COc1cccc(-c2nnc3ccc(OCCNC(=O)Nc4cccc(C)c4)nn23)c1 11694594 BKHYMPXSVPHCTC-UHFFFAOYSA-N 418.457 3.309 0 40 HGAB O=C(Cn1c(=O)cc(C(=O)N2CCCCC2)c2ccccc21)Nc1ccc(F)cc1 12360179 KTARKVZSUAEWRU-UHFFFAOYSA-N 407.445 3.405 0 40 HGAB biogenic,in-vitro COc1ccc(N[C@@H](C)C(=O)c2c[nH]c3ccccc23)cc1S(=O)(=O)N(C)C 12517589 VMPOCRWTQYWJRD-ZDUSSCGKSA-N 401.488 3.110 0 40 HGAB Cc1nc2cc(N[C@H](C)C(=O)Nc3ccc(S(=O)(=O)NC(C)C)cc3)ccc2o1 12537381 ICWFHKVRAXJLGN-CYBMUJFWSA-N 416.503 3.262 0 40 HGAB O=C(CNc1ccccc1C(=O)NC[C@H]1CCCO1)Nc1ccc(N2CCCC2)cc1 12792056 FLXFSWPRKXDQBF-HXUWFJFHSA-N 422.529 3.246 0 40 HGAB CC(C)c1ccc([C@@]2(C)NC(=O)N(CC(=O)N(C)Cc3ccc(F)cc3)C2=O)cc1 12811420 NAEHFLYEMHTTDN-HSZRJFAPSA-N 411.477 3.375 0 40 HGAB Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)c(O)c1 12920198 JSJMBZDDCVGJQX-UHFFFAOYSA-N 414.527 3.229 0 40 HGAB COc1ccc(NC(=O)NCCCn2nc(-c3ccc(C)cc3)ccc2=O)c(OC)c1 13801293 DDBBIEYPBIYNOH-UHFFFAOYSA-N 422.485 3.448 0 40 HGAB O=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)N(Cc1ccccc1F)C1CC1 14196893 MMXWOFQGIHEIRQ-UHFFFAOYSA-N 402.491 3.415 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(F)(F)F)C2)cc1Br 14199357 NGYUNHRSMMVASL-SECBINFHSA-N 402.232 3.421 0 40 HGAB CN(C)S(=O)(=O)c1cccc(NC(=O)c2c[nH]nc2-c2ccc(Cl)cc2)c1 14231187 LWVUTHCXHVGYPJ-UHFFFAOYSA-N 404.879 3.233 0 40 HGAB Cc1ccc(S(=O)(=O)c2nc(-c3ccccc3)[nH]c2SCC(=O)N(C)C)cc1 16847765 ICWSVQFQQJICHO-UHFFFAOYSA-N 415.540 3.398 0 40 HGAB COc1ccccc1NC(=O)Cc1noc(COC(=O)c2c[nH]c3ccccc23)n1 17118020 UWPJKRKBAYTUKQ-UHFFFAOYSA-N 406.398 3.098 0 40 HGAB Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1C(=O)C(=O)N1C[C@@H](C)O[C@H](C)C1 17327792 ATNQQAQVMHDCED-VXGBXAGGSA-N 409.408 3.326 0 40 HGAB O=C(COc1ccccc1Cl)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 18108057 QZGOAXCAKHZFNG-UHFFFAOYSA-N 422.934 3.210 0 40 HGAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)CSc1ncnc2sccc12 18489063 TVOZNJCYCCZRJA-UHFFFAOYSA-N 400.529 3.497 0 40 HGAB Fc1ccc(Cn2nnnc2CN2CCC[C@@H](c3[nH]ncc3-c3ccncc3)C2)cc1 19334909 ZGADMTSUXWMGCC-GOSISDBHSA-N 418.480 3.025 0 40 HGAB C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@@H](CN4CCN(Cc5ccccc5)CC4)[C@H]3[C@H](O)[C@@]21C 19369854 WRMKBSBJQCLVBI-CVGQSACLSA-N 424.585 3.089 0 40 HGAB biogenic O=C(Cc1ccccc1)N1CC[C@H](c2nc3c(c(=O)[nH]2)CCN(C2CCCCC2)C3)C1 19370115 ZWHPRKMKBHVMHC-IBGZPJMESA-N 420.557 3.019 0 40 HGAB CN(C)C(=O)[C@@]1(Cc2ccc(-c3ccsc3)cc2)CCN(C(=O)[C@H]2CCCO2)C1 19579856 AIZGLDFWEUUNIH-NFBKMPQASA-N 412.555 3.444 0 40 HGAB Cc1ccc(C(=O)N2CCN(c3nc4ccccc4s3)CC2)cc1N1CCOCC1 19664037 OKTDHUUXDLCEAU-UHFFFAOYSA-N 422.554 3.404 0 40 HGAB Cc1nc(C2CCN(C(=O)[C@@H]3CCN3C3CCCCC3)CC2)nc2c1CCCN2C 19706684 VLKZHFSOKSILDI-NRFANRHFSA-N 411.594 3.280 0 40 HGAB Cc1nc(C2CCN(Cc3c(C)nn(-c4ccc(F)cc4)c3C)CC2)ncc1C(N)=O 19766623 XVMXANAFTFBYCJ-UHFFFAOYSA-N 422.508 3.205 0 40 HGAB O=C(N[C@H]1C[C@H]2CC[C@@H]1C2)C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1 19868189 OAEYOIFYYGQVGM-YJLNNSPDSA-N 410.967 3.187 0 40 HGAB COc1cc2c(cc1OC)N(C)S(=O)(=O)C(C(=O)Nc1ccc(C)c(C)c1)=C2C 20063937 DNFNWTFBXSNJGU-UHFFFAOYSA-N 416.499 3.470 0 40 HGAB O=C(CCCC(=O)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1)Nc1ccccc1 20726406 DFXMMLAFYHDCDJ-UHFFFAOYSA-N 418.497 3.261 0 40 HGAB CCOc1cc2c(cc1NS(=O)(=O)c1ccc(N3CCCC3=O)cc1)O[C@H](C)C2 21900848 JIVCQFICONQERS-CQSZACIVSA-N 416.499 3.336 0 40 HGAB COc1ccc(C(=O)N[C@H](C)c2cc(C)c(C)cc2C)cc1S(=O)(=O)N(C)C 22537846 RYVYLLOAGHZVBJ-MRXNPFEDSA-N 404.532 3.362 0 40 HGAB CCOC(=O)N1CCC(NC(=O)N2CCN(Cc3cccc4ccccc34)CC2)CC1 23732009 HILGMLYOESOPBG-UHFFFAOYSA-N 424.545 3.288 0 40 HGAB COc1ccc(CN(C)C(=O)COC(=O)c2ccccc2Br)cc1F 24658077 YBAWDQVAOOMMSF-UHFFFAOYSA-N 410.239 3.412 0 40 HGAB O=C(NCc1ccc(C(=O)N2CCCC2)cc1)c1cccc(Nc2ncccn2)c1 24857780 UGNFRBMADFWEIA-UHFFFAOYSA-N 401.470 3.386 0 40 HGAB Cc1cc(C)c(S(=O)(=O)NCCC(=O)Nc2ccc3c(c2)OCCCO3)c(C)c1 24859695 HGXZYKHIENQFLB-UHFFFAOYSA-N 418.515 3.080 0 40 HGAB CC(C)NC(=O)c1ccccc1NC(=O)c1ccc(NS(C)(=O)=O)cc1Cl 30755410 QMLZUNBGQQFLLY-UHFFFAOYSA-N 409.895 3.102 0 40 HGAB COC(=O)CCCN(C)C(=O)c1nc(-c2cccs2)n(-c2cccc(F)c2)n1 32278472 BMMIUWUKSVERIP-UHFFFAOYSA-N 402.451 3.160 0 40 HGAB COc1ccccc1N1C(SCc2ccccc2F)=N[C@H]2CS(=O)(=O)C[C@H]21 32641129 LDCBWAKGCFJNAC-DOTOQJQBSA-N 406.504 3.109 0 40 HGAB COc1ccc(Cl)c(C(=O)Cn2nc(N)n(Nc3ccccc3OC)c2=S)c1 36625713 BWWMYAUVUYGIAR-UHFFFAOYSA-N 419.894 3.425 0 40 HGAB Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)NCCCN(C)C)ccc2Cl)c1 37020525 MPKCKEGJOKMWTM-UHFFFAOYSA-N 423.966 3.439 0 40 HGAB Cc1ccc(C(=O)c2ccccc2C(=O)N2CCN(Cc3cc(C)on3)CC2)cc1 40049914 VHZMJADXRQSNTI-UHFFFAOYSA-N 403.482 3.480 0 40 HGAB O=C(c1ccc2c(c1)OCCO2)C1CCN(C(=O)NCCc2cccs2)CC1 40068753 FMLMWHRMZASUIX-UHFFFAOYSA-N 400.500 3.366 0 40 HGAB COc1cccc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2OC)c1 47157167 SYSCTCJIQPNBQX-UHFFFAOYSA-N 404.488 3.131 0 40 HGAB Cc1ccc(C(=O)NC2CCN(C(=O)c3cn(-c4ccc(C)c(C)c4)nn3)CC2)cc1 49406333 YXHSWVYHPQYQMC-UHFFFAOYSA-N 417.513 3.227 0 40 HGAB CS(=O)(=O)c1ccc(-c2c[nH]c([C@@H]3COCCN3Cc3ccc(F)cc3)n2)cc1 67898820 YXFDNXSZQSMIAS-FQEVSTJZSA-N 415.490 3.193 0 40 HGAB biogenic,in-vitro COC(=O)c1ccccc1NC(=O)CN1CCN(c2cccc(C(F)(F)F)c2)CC1 68708538 IEZZCZDYLHPKAV-UHFFFAOYSA-N 421.419 3.253 0 40 HGAB CCSc1ccccc1C(=O)Nc1ccc(-n2nnc(C(=O)N3CCCC3)n2)cc1 71001785 QHXMVEZFQFMYLA-UHFFFAOYSA-N 422.514 3.263 0 40 HGAB O=C(c1ccccc1F)N1CCC[C@H]1Cn1nc(-c2ccc3c(c2)OCO3)ccc1=O 72324134 ADCINCWHFWWVHL-INIZCTEOSA-N 421.428 3.083 0 40 HGAB Cc1cc(C)n(C[C@H](C)C(=O)N[C@H]2C[C@@]3(CCC(=O)N(C)CC3)Oc3ccccc32)n1 72327778 MNXHWOZKCJPKTQ-YFBXQHAESA-N 424.545 3.157 0 40 HGAB NC(=O)c1cccc(-c2cnc(N)nc2[C@H]2CCCN(C(=O)CC3CCCC3)C2)c1 72346113 YQGMEJHXTCBQRP-SFHVURJKSA-N 407.518 3.111 0 40 HGAB CN1CCN(C(=O)COc2ccccc2)[C@H](Cc2cccc(-c3cccnc3)c2)C1=O 72351729 JJVNWPPHRSAPDS-HSZRJFAPSA-N 415.493 3.039 0 40 HGAB CCn1c(=O)n(CC(=O)N[C@H](C)c2ccc(-n3ccnc3C)cc2)c2ccccc21 79026695 XVIRGQLABYFXRQ-MRXNPFEDSA-N 403.486 3.194 0 40 HGAB Cc1ccc(C(=O)Nc2c3c(nn2CC(=O)NCc2ccco2)CSC3)cc1C 90557753 ZLODUQXXHSYJSZ-UHFFFAOYSA-N 410.499 3.408 0 40 HGAB C[C@@H](NC(=O)C(=O)NCc1ccc([C@@H](O)c2cccs2)s1)c1ccccc1 90613739 PHBRAGJVDZMCRN-ACJLOTCBSA-N 400.525 3.385 0 40 HGAB COc1ccc2cc(CN(C)C(=O)CN3CCN(c4ccc(O)cc4)CC3)ccc2c1 95450883 JLVMZJFMAGDNDR-UHFFFAOYSA-N 419.525 3.335 0 40 HGAB CN1C(=O)C[C@@H](NC(=O)c2ccc(NC(=O)C3CC3)cc2)[C@H]1c1ccc(Cl)cc1 95454076 SPSFQRACDIQXGA-UYAOXDASSA-N 411.889 3.390 0 40 HGAB COc1cc([C@H]2CC(O)=Nc3nc(N4CCCCC4)sc32)ccc1OCC(N)=O 95481230 WOCQXENNCHYMDS-CYBMUJFWSA-N 416.503 3.130 0 40 HGAB O=C(NCc1ccc2c(c1)OCO2)N1CCC[C@H](c2n[nH]c(-c3ccccc3)n2)C1 95993088 VGOTYXULMGCQAY-KRWDZBQOSA-N 405.458 3.290 0 40 HGAB CCCn1cc(CN2[C@H]3CC[C@H]2CC(O)(Cn2nc(C)ccc2=O)C3)c2ccccc21 100737875 CKXIHJRNDUNBFB-SFTDATJTSA-N 420.557 3.475 0 40 HGAB CCOc1ccc(NC(=O)CCCN(c2ccc(OC)cc2)S(C)(=O)=O)cc1 113962462 ZMSBHPXSGWKLHL-UHFFFAOYSA-N 406.504 3.279 0 40 HGAB CCOC[C@]1(CN)[C@H](c2ccc(OC)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218121692 ZJNJMNNUEPNQEG-HSALFYBXSA-N 409.935 3.270 0 40 HGAB CCc1ccc(N([C@H](C)C(=O)Nc2ccc(OC)cc2OC)S(C)(=O)=O)cc1 220264285 KYYHEMHXKIECEC-CQSZACIVSA-N 406.504 3.059 0 40 HGAB COC(=O)c1cn(C(=O)c2cc(N(C)S(C)(=O)=O)ccc2Cl)c2ccccc12 222639548 SHXJWCOTHSEUEA-UHFFFAOYSA-N 420.874 3.166 0 40 HGAB COC(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc(Cl)c(C(=O)OC)c2)c1 223831489 IWCWOGYRLCXQBJ-UHFFFAOYSA-N 418.254 3.367 0 40 HGAB Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)NCCC3=CCCCC3)s2)cc1 223903329 DLPQWTUVENUKDM-UHFFFAOYSA-N 406.533 3.268 0 40 HGAB CC[C@@H](C(=O)NCCOc1ccc(C)cc1C)N(c1ccccc1)S(C)(=O)=O 224298860 ACGCWHZIYPOBBZ-IBGZPJMESA-N 404.532 3.043 0 40 HGAB COC(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(OC)cc1 224853988 UEUAXYMUGUIGMG-UHFFFAOYSA-N 403.378 3.082 0 40 HGAB CCOC(=O)c1cnc(NC(=S)NCCNc2cc(C)nc3ccccc23)nc1C 225225512 ZEPSREODLMVADM-UHFFFAOYSA-N 424.530 3.217 0 40 HGAB CNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCCOc1ccc(OC)cc1 225431783 UAUDBQVXNRTOFX-MRXNPFEDSA-N 402.466 3.157 0 40 HGAB O=C(Cc1c(F)cccc1Cl)N1CCN(c2cc(C(F)(F)F)ncn2)CC1 225731152 RSLUZYYLEDREDK-UHFFFAOYSA-N 402.779 3.179 0 40 HGAB CCOc1ccc(NC(=O)[C@]23C[C@@H]2CN(c2c(C)cccc2C)S3(=O)=O)cc1 225939311 ZUDVTPFWBSHVNS-IERDGZPVSA-N 400.500 3.249 0 40 HGAB CC[C@H](C)NC(=O)CN(CCc1ccccc1)S(=O)(=O)c1cc(C)ccc1C 225940085 SEZLUYVYEXCVEC-IBGZPJMESA-N 402.560 3.452 0 40 HGAB CC1(C(=O)N2CCC[C@@H](c3cnccn3)C2)CCN(C(=O)Cc2ccccc2F)CC1 257266535 MDKBYCUZTXLENE-LJQANCHMSA-N 424.520 3.193 0 40 HGAB CCc1nnc(Nc2cccc([C@H]3CCCN(C(=O)CCN4CCCC4)C3)n2)s1 257289881 QAOFELNOJAKAEU-INIZCTEOSA-N 414.579 3.431 0 40 HGAB CC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3N(C(=O)c1cnccn1)[C@@H]2Cc1ccccc1 257291790 QIPSPTPAUMWYHV-WGNYYXNJSA-N 404.514 3.092 0 40 HGAB Cn1cc(C(=O)N2CCC(Cc3ccccc3-c3cccs3)(C(N)=O)CC2)cn1 257319170 VRBQENHKUUNSJO-UHFFFAOYSA-N 408.527 3.099 0 40 HGAB O=C(COC(=O)[C@@H]1CC(=O)N(C2CCCCC2)C1)Nc1ccc(Br)cc1 408651358 DGTRDVHPFWGZCA-CYBMUJFWSA-N 423.307 3.112 0 40 HGAB COc1ccc(NC(=O)c2cccc(N3C(=O)[C@@H]4[C@H]5CC[C@@H](C5)[C@H]4C3=O)c2)c(OC)c1 408672528 NNBWZAFTPWRKHA-BMHXQBNDSA-N 420.465 3.492 0 40 HGAB Cc1ccc(C(=O)O)c(NC(=O)c2cccc(N3C(=O)[C@H]4[C@H]5CC[C@@H](C5)[C@@H]4C3=O)c2)c1 408674360 ZGQMJQVGKLUJCY-FEBSWUBLSA-N 418.449 3.481 0 40 HGAB COc1ccc(NC(=O)CN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)cc1 409024244 HVTVPRJNJIWPED-UHFFFAOYSA-N 403.287 3.407 0 40 HGAB NC(=O)c1c(NC(=O)CSCC(=O)Nc2ccccc2)sc2c1CCCC2 409151995 DGGYFARHNZBYIO-UHFFFAOYSA-N 403.529 3.036 0 40 HGAB O=C(COc1ccc(S(=O)(=O)NC2CCCCC2)cc1Cl)NC1CCCC1 409361897 RFGZPQCQMUOHTC-UHFFFAOYSA-N 414.955 3.389 0 40 HGAB Cc1ccccc1C1(C(=O)N[C@H]2CCCN(c3ccccc3F)C2=O)CCOCC1 536472785 LFVXTIRDFIBJJE-FQEVSTJZSA-N 410.489 3.494 0 40 HGAB O=C(c1nc(C2CC2)n(-c2ccccc2Cl)n1)N1CCOCC2(CCOCC2)C1 543275947 OWSCHPGURDMVLJ-UHFFFAOYSA-N 416.909 3.067 0 40 HGAB O=C(NCCO)c1ccc(NCc2cnc3ccc(Br)cn23)cc1Cl 582878066 DEVLVIGDSCAVAF-UHFFFAOYSA-N 423.698 3.084 0 40 HGAB CS(=O)(=O)N1CCC[C@@H](c2nnc3sc(/C=C/c4ccc(Cl)cc4)nn23)C1 1501040372 MLEBWDICYJMQHF-YSKGHYERSA-N 423.951 3.149 0 40 HGAB CC(C)(C(=O)N1CCC2(CC1)C[C@@H](O)CNC2=O)c1ccc(-c2ccccc2)cc1 1558048579 INMMNCSFJGTJKI-OAQYLSRUSA-N 406.526 3.121 0 40 HGAB Cc1cc(N2CCC(Cn3c(C)nc4cc(F)ccc4c3=O)CC2)n2nccc2n1 1889224914 ACXITCCNIFMLQH-UHFFFAOYSA-N 406.465 3.112 0 40 HGAB CC(C)c1ccc(C[C@@]2(C)Cc3cc(CC(=O)NCCOCCO)ccc3O2)cc1 2037875310 OIPJWGGGINHUKA-VWLOTQADSA-N 411.542 3.414 0 40 HGAB COC(=O)C1=C(C)NC(C)=C(C(=O)OC[C@H]2CCCO2)[C@@H]1c1cccc(Cl)c1 629070 LQEWPGRSSVICNO-VQIMIIECSA-N 405.878 3.470 0 40 HGAB CCCC(=O)N(c1ccc2oc(=O)sc2c1)S(=O)(=O)c1ccc(OC)cc1 1926417 NLYQRIQKNQSOAP-UHFFFAOYSA-N 407.469 3.385 0 40 HGAB Cc1ccc(-c2nnc(SCC(=O)NCCc3ccc(Cl)cc3)n2N)cc1 3571239 YKPBMVREWJNHIV-UHFFFAOYSA-N 401.923 3.072 0 40 HGAB CCc1cc(=O)oc2c3c(cc(OCC(=O)NC[C@H]4CCCO4)c12)OC(C)(C)CC3 4089162 CKCXYLNQPCMJKJ-OAHLLOKOSA-N 415.486 3.133 0 40 HGAB biogenic Cc1coc2c1c(C)cc1oc(=O)c(CC(=O)NCCCN3CCCC3=O)c(C)c12 4090071 ABFLQNFYUZSMJY-UHFFFAOYSA-N 410.470 3.136 0 40 HGAB biogenic Cc1nn(Cc2ccccc2Cl)c(C)c1NC(=O)[C@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)O 4111154 ZGVJDVGMFDKWHA-QZWWFDLISA-N 403.866 3.018 0 40 HGAB COc1cc2cc(CN(CCN(C)C)C(=O)Nc3ccccc3)c(=O)[nH]c2cc1OC 4231298 LYEOGGBOIRJCEW-UHFFFAOYSA-N 424.501 3.141 0 40 HGAB Cc1ccccc1-c1nnc(SCC(=O)Nc2ccc(N3CCOCC3)cc2)n1C 4414905 VOBNDFZMYBNFHJ-UHFFFAOYSA-N 423.542 3.358 0 40 HGAB Cc1ccc(NC(=O)C[S@@](=O)CC(=O)NCc2cccc(C(F)(F)F)c2)cc1 4895429 GARVXVRQECWZPC-MUUNZHRXSA-N 412.433 3.017 0 40 HGAB Cc1c(C)n2c3c(=O)n(Cc4ccccc4)c(=O)n(C)c3nc2n1C1CCCCC1 4911980 VSBCZLBNGSPMAR-UHFFFAOYSA-N 405.502 3.320 0 40 HGAB COc1ccccc1N1C[C@H](C(=O)O[C@H](C)C(=O)c2c[nH]c3ccccc23)CC1=O 5189265 DXYUWVBNNRJMRT-HUUCEWRRSA-N 406.438 3.344 0 40 HGAB C[C@@H]1CCc2nc(NC(=O)[C@H]3CCCN3S(=O)(=O)c3cccs3)sc2C1 5298740 ABZYNGDSOMSHOR-DGCLKSJQSA-N 411.574 3.121 0 40 HGAB CCOc1ccc2nc(COC(=O)c3ccc(Cl)cc3)c(C(C)=O)[n+]([O-])c2c1 5478039 DXZMJEVVCGCFBF-UHFFFAOYSA-N 400.818 3.480 0 40 HGAB O=C(Nc1nc(-c2cccnc2)cs1)c1ccc(S(=O)(=O)N2CCCC2)cc1 6508117 KQAFGLDCAJXDEH-UHFFFAOYSA-N 414.512 3.242 0 40 HGAB Cc1ccc(O[C@@H](C)C(=O)N(Cc2ccccc2F)[C@H]2CCS(=O)(=O)C2)cc1C 6811068 WXWRXNHWVLWEQU-HKUYNNGSSA-N 419.518 3.426 0 40 HGAB COC(=O)[C@H]1CN(S(=O)(=O)c2cc(Cl)ccc2Cl)c2ccccc2O1 7306331 OQPNYSOKSPBVBK-CQSZACIVSA-N 402.255 3.123 0 40 HGAB CN(CCOc1ccc(Cl)cc1)C(=O)CSc1nnc(-c2ccncc2)n1C 7329552 PUGLQVVMUMRHND-UHFFFAOYSA-N 417.922 3.160 0 40 HGAB COc1ccc(CCNS(=O)(=O)c2ccc(Br)c(C)c2)cc1OC 7376364 ISGUIUKPUOQJIS-UHFFFAOYSA-N 414.321 3.296 0 40 HGAB Cc1ccc(CN(C)C(=O)CN2C(=O)N[C@]3(CCCc4ccccc43)C2=O)c(C)c1 7820807 ZKRADNUFIUDZCC-DEOSSOPVSA-N 405.498 3.045 0 40 HGAB Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NC3CCCC3)Oc3ccccc32)cc1 7871963 YBNNEJIPDQYBJS-FQEVSTJZSA-N 400.500 3.010 0 40 HGAB O=C(CSc1nnc(-c2ccncc2)n1C1CC1)Nc1ccc2c(c1)OCCO2 8270310 VUENAFNXGJJIES-UHFFFAOYSA-N 409.471 3.177 0 40 HGAB COc1ccccc1-n1cnnc1SCC(=O)N1c2ccccc2NC(=O)C[C@@H]1C 9866883 BOCVMFNUFPBQJL-AWEZNQCLSA-N 423.498 3.132 0 40 HGAB Cc1sc2nc(CSCc3cccc(S(=O)(=O)N(C)C)c3)[nH]c(=O)c2c1C 9883067 UQCVGODYGYJMAA-UHFFFAOYSA-N 423.585 3.285 0 40 HGAB CNC(=O)c1cc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)ccc1OC 10008763 JRJMUAHNPDNPRH-UHFFFAOYSA-N 424.522 3.446 0 40 HGAB CCN(c1ccc(OCC(=O)Nc2ccc(OC)c(Cl)c2)cc1)S(C)(=O)=O 10010019 OQBRZJREQCNITL-UHFFFAOYSA-N 412.895 3.152 0 40 HGAB O=C(Nc1nc(-c2ccccn2)cs1)[C@H]1CCCN1S(=O)(=O)c1cccs1 10186995 VXBKXTIEZBHGDR-CQSZACIVSA-N 420.541 3.058 0 40 HGAB O=C(O[C@H]1CCOC1=O)c1cc2ccccc2cc1NS(=O)(=O)c1cccs1 11255018 YCFIHXGDRPOIKF-INIZCTEOSA-N 417.464 3.174 0 40 HGAB CCOCCn1/c(=N\C(=O)Cc2cccc(OC)c2)sc2cc(OC)ccc21 12352299 CZAKKKVEZGBACP-QURGRASLSA-N 400.500 3.427 0 40 HGAB COc1ccc([C@@H](NC(=O)CCCn2c(=O)oc3ccccc32)c2nccn2C)cc1 12550038 OOGRLZZEHZJGGS-OAQYLSRUSA-N 420.469 3.023 0 40 HGAB CN(Cc1ccccc1)C(=O)CN1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 12734715 YJARBUCUSUMODA-UHFFFAOYSA-N 408.498 3.011 0 40 HGAB COc1ccc(OCCCSc2nc3ccccc3c(=O)n2CCCO)cc1 12797792 AADBABVGYQSJIE-UHFFFAOYSA-N 400.500 3.349 0 40 HGAB Cc1cc(C)c(NC(=O)CNC(=O)[C@H]2CC(=O)N(c3ccc(C)c(F)c3)C2)c(C)c1 12912924 WIFSZXIHQBPKFG-KRWDZBQOSA-N 411.477 3.167 0 40 HGAB C[C@]12CCC(=O)N1[C@@H](C(=O)Nc1nnc(SCc3ccccc3F)s1)CS2 12922886 SYDZQFBYAXVHLX-PXAZEXFGSA-N 424.548 3.362 0 40 HGAB COc1cc(/C=C/C(=O)NC[C@@H](c2ccc(F)cc2)N2CCOCC2)cc(OC)c1 12931656 JKMDHSMSFQPEHU-XMGLVOBQSA-N 414.477 3.046 0 40 HGAB Cc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4cc(C)cc(C)c4)C(=O)[C@@H]3[C@@H]3CCCN32)cc1 13571627 IWNOZIKSIZMADR-CBPXPLCBSA-N 402.494 3.447 0 40 HGAB COc1ccc(-c2cc3ccc(OCCN4CCOCC4)cc3oc2=O)cc1OC 13623950 BNCVVYPUEPAGPV-UHFFFAOYSA-N 411.454 3.188 0 40 HGAB O=C(/C=C/c1ccc(Cl)c(Cl)c1)N1CCN(CC(=O)N2CCCCC2)CC1 14187488 BNGRVPXXPVDJMX-FNORWQNLSA-N 410.345 3.163 0 40 HGAB Cc1cc2nc(COC(=O)c3cccc(NC(=O)c4cccc(F)c4)c3)cc(=O)n2o1 15772290 XZSISAPIEZDDBR-UHFFFAOYSA-N 421.384 3.344 0 40 HGAB CCOc1ccc(NC(=O)c2cccnc2Cl)cc1S(=O)(=O)N1CCCC1 15788329 IAMOYQCCKRFBBC-UHFFFAOYSA-N 409.895 3.171 0 40 HGAB CC[C@H](OC(=O)c1cnc(SC)n1-c1ccccc1)C(=O)Nc1cc(C)on1 16121199 VBNICCRRUCXPNP-HNNXBMFYSA-N 400.460 3.465 0 40 HGAB COc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)Nc1ccc(Cl)cc1 16188226 XDNIMVNECAAWPN-UHFFFAOYSA-N 403.287 3.261 0 40 HGAB Cc1cc(C(=O)OCC(=O)N(Cc2cccs2)c2ccc3c(c2)OCCO3)on1 17992970 LFCHZPNLECPHQA-UHFFFAOYSA-N 414.439 3.206 0 40 HGAB Cc1cc2n(n1)[C@@H](C(F)F)C[C@@H](C1CCN(C(=O)CN3CCC(C)CC3)CC1)N2 19128697 ZZGLLGRIVTYKFH-ZWKOTPCHSA-N 409.525 3.152 0 40 HGAB CN(C)C(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CCCN(C(=O)c2ccno2)C1 19579422 WNTOMZPGZWTELA-XMMPIXPASA-N 418.497 3.290 0 40 HGAB CNC(=O)[C@@]1(Cc2ccc(-c3cccs3)cc2)CCCN(C(=O)[C@@H]2CCCO2)C1 19591052 WBVIVWCDJPRGML-WMZHIEFXSA-N 412.555 3.491 0 40 HGAB COc1cc(C)c(Br)cc1S(=O)(=O)N1CCN=C1c1ccccc1 19619236 PLXRTYFTYGDTSL-UHFFFAOYSA-N 409.305 3.217 0 40 HGAB Cc1nn(C)c(C)c1CCNC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 19661368 JWPDURFDAOCULI-UHFFFAOYSA-N 409.456 3.026 0 40 HGAB Cc1cccnc1CNS(=O)(=O)c1ccc2c(c1)[C@H](NC(=O)c1ccccc1)CC2 19749570 WZUUIGRELXKMTG-OAQYLSRUSA-N 421.522 3.286 0 40 HGAB CNC(=O)c1cc([C@H]2CCN(C(=O)COc3ccc(F)cc3)C2)nc2ccccc12 19754616 VJANHKHINXJPEP-HNNXBMFYSA-N 407.445 3.128 0 40 HGAB CS(=O)(=O)N1C[C@H](C(=O)Nc2cc(Cl)ccc2Cl)Oc2ccccc21 20111008 RKMRFEWTPPLELX-OAHLLOKOSA-N 401.271 3.159 0 40 HGAB CC(C)c1ccccc1NC(=O)CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O 20824036 XHMDBIIRUCIRTM-FQEVSTJZSA-N 404.470 3.393 0 40 HGAB O=C([C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1)N1CCCCCC1 22247028 DKKFNISTDYIPNT-HXUWFJFHSA-N 404.507 3.118 0 40 HGAB CCN(c1cc(OC)c(OC)cc1C(=O)NC1CCCCCCC1)S(C)(=O)=O 22252315 LRCYVFFHNUBTJO-UHFFFAOYSA-N 412.552 3.332 0 40 HGAB Cc1cc(C)n(-c2ccc(C(=O)NC[C@H](c3ccc(F)cc3)N3CCOCC3)cc2)n1 23156354 QJLYUYDKLYFOHI-HSZRJFAPSA-N 422.504 3.432 0 40 HGAB Cc1cccc(NC(=O)C[C@@H]2C(=O)N(C[C@@H]3CCCO3)c3nc4ccccc4n32)c1 23382124 SNZBZXDODVTAOT-FXAWDEMLSA-N 404.470 3.440 0 40 HGAB O=C(CCNS(=O)(=O)c1cccc(C(F)(F)F)c1)NCCC1=CCCCC1 23735350 PFJVLEJTBHHJNS-UHFFFAOYSA-N 404.454 3.381 0 40 HGAB CCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 24435614 QRGSEOZXDSPBPT-HOTGVXAUSA-N 418.515 3.136 0 40 HGAB Cc1occc1-c1nnc(SCCOc2ccc(S(=O)(=O)N(C)C)cc2)o1 25048884 RNLAPQSRQVNBEH-UHFFFAOYSA-N 409.489 3.059 0 40 HGAB COc1ccc([C@@H]2CCCN2S(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1 30495660 UDMJUKHYEWPPJE-FQEVSTJZSA-N 400.500 3.348 0 40 HGAB O=C(NC[C@@H](O)c1ccc(F)cc1)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1 31316477 POOJTVJJNHGGRW-OAQYLSRUSA-N 418.424 3.085 0 40 HGAB O=C(CN1CCN(c2nnc(-c3ccccc3)c3ccccc23)CC1)N1CCCC1 32719983 WDUHHIWVVCEULL-UHFFFAOYSA-N 401.514 3.041 0 40 HGAB Cc1ccc(C)c(NC(=O)[C@H](OC(=O)CCN2C(=O)CCC2=O)c2ccccc2)c1 32860324 LVXDKHXTSJNIIZ-JOCHJYFZSA-N 408.454 3.066 0 40 HGAB COc1ccc(COC[C@H](O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 32907320 QVZHMZQOIQXHDQ-GOEBONIOSA-N 414.527 3.169 0 40 HGAB Cc1csc(NC(=O)CSc2nc3ccccc3n2CC(=O)NC(C)(C)C)n1 35312074 QLWFVYGTAFMGKL-UHFFFAOYSA-N 417.560 3.447 0 40 HGAB COc1ccc(Br)cc1[C@@H]1C(C(=O)OC(C)(C)C)=C(C)Nc2nnnn21 35478659 RPYOOVCHNXIALZ-CQSZACIVSA-N 422.283 3.075 0 40 HGAB COC(=O)c1ccccc1NC(=O)c1ccc(CS(=O)(=O)N2CCCCC2)cc1 38753150 NYCNJTFSTBUHLW-UHFFFAOYSA-N 416.499 3.041 0 40 HGAB CCOc1ccc2nc(SCC(=O)Nc3cc(OC)nc(OC)n3)sc2c1 44928609 PLVFADOQXLAEKD-UHFFFAOYSA-N 406.489 3.233 0 40 HGAB CCOc1ccccc1NC(=O)Cn1nc2c(Oc3ccccc3C)nccn2c1=O 49008598 CCVQHORNQQIVHM-UHFFFAOYSA-N 419.441 3.029 0 40 HGAB Cc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccccc4Cl)ncn3n2)c(C)c1 51316992 PCEZPUOWTIZSSB-UHFFFAOYSA-N 407.861 3.467 0 40 HGAB Cn1ccnc1[C@@](O)(CCNC(=O)N(Cc1ccc(F)cc1)C1CC1)C(F)(F)F 59300792 JENTVNNGENPGCC-SFHVURJKSA-N 414.403 3.073 0 40 HGAB COC(=O)c1c(NC(=O)CN2CCN(c3ccccc3)CC2)c2cc(C)ccc2n1C 61958013 QPAKDRDWPUIIAS-UHFFFAOYSA-N 420.513 3.034 0 40 HGAB Cc1ccc(-c2nc3c4ccccc4n(CC(=O)NC4CCCCC4)c(=O)n3n2)cc1 65535140 DLTWGVDKBZIKDE-UHFFFAOYSA-N 415.497 3.469 0 40 HGAB COc1ccc(NC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2C(C)C)c(OC)c1 67235885 JXLFNZAIDBRTMR-UHFFFAOYSA-N 416.503 3.362 0 40 HGAB COc1ccccc1CC(=O)N1CCC[C@H](c2nc(C)ncc2-c2noc(C)n2)C1 72356439 COFHVOVDNHCTOF-KRWDZBQOSA-N 407.474 3.101 0 40 HGAB Cc1ccccc1SCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 89696862 QDKFTMLDJSHZKX-UHFFFAOYSA-N 424.975 3.274 0 40 HGAB COc1cccc(-c2ccc3nc(C4CCN(S(=O)(=O)C5CC5)CC4)nn3c2)c1 96062760 ACVBPLMYLZWNAU-UHFFFAOYSA-N 412.515 3.077 0 40 HGAB Cc1cc(S(=O)(=O)N2CC[C@H](S(=O)(=O)C(C)(C)C)C2)c(Cl)cc1Cl 96103436 WRAQGHDJRKRFKK-NSHDSACASA-N 414.376 3.278 0 40 HGAB Cc1ccc(CNC(=O)[C@H]2c3c(ncn3C(C)C)CCN2C(=O)c2ccccc2)o1 96147279 IXEMBZWLGISLDH-OAQYLSRUSA-N 406.486 3.421 0 40 HGAB CC(C)n1cnc2c1[C@H](C(=O)N(C)Cc1ccccn1)N(Cc1cccnc1)CC2 96265051 AMSTYQLFGVFIEJ-JOCHJYFZSA-N 404.518 3.012 0 40 HGAB CCS(=O)(=O)[C@](Cl)(I)C(=O)c1cccc(Cl)c1 96518266 WSEJQEOLKZNKNM-SNVBAGLBSA-N 407.056 3.285 0 40 HGAB COc1ccccc1[C@@H]1[C@H]2C(=O)N(c3ccc(Cl)c(F)c3)C(=O)[C@@H]2N2CCCN12 102707055 HJYACQZTNOVVEN-GUDVDZBRSA-N 415.852 3.023 0 40 HGAB COc1ccccc1N1C(=O)[C@@H]2ON(c3ccccc3)[C@H](c3ccc(O)cc3)[C@H]2C1=O 102709901 CAUKAGFZMJWBNQ-YPAWHYETSA-N 416.433 3.452 0 40 HGAB COc1ccccc1-c1cc(C(F)(F)F)nc(S[C@@H]2CC(=O)[C@H]3OC[C@H]2O3)n1 103000389 PZMORQKSAZIXSI-FMKPAKJESA-N 412.389 3.346 0 40 HGAB CC(C)(C)c1cc(NC(=O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)n(-c2ccc(F)cc2)n1 103146580 BPTZJCWJLQCMCG-CALCHBBNSA-N 424.476 3.199 0 40 HGAB COc1ccc(NC(=O)c2cccc(N3C(=O)[C@H]4[C@H]5CC[C@@H](C5)[C@@H]4C3=O)c2)c(OC)c1 165718676 NNBWZAFTPWRKHA-FJAKRLOMSA-N 420.465 3.492 0 40 HGAB COc1ccc(Cl)cc1NS(=O)(=O)c1cc2oc(=O)n(C)c2cc1Cl 223346521 FDWGZZRJVYYWSI-UHFFFAOYSA-N 403.243 3.248 0 40 HGAB COc1ccc(Cl)cc1NC(=O)[C@@H](C)Oc1ccc(N(C)S(C)(=O)=O)cc1 223756443 ILLWMBKEHZPVPY-GFCCVEGCSA-N 412.895 3.150 0 40 HGAB CCOC(=O)c1c(NS(=O)(=O)c2cccc(C(=O)OC)c2)sc2c1CCCC2 223868576 HPJONOVXAFLWDE-UHFFFAOYSA-N 423.512 3.391 0 40 HGAB Cc1cc(OCC(=O)NC[C@@H]2COc3ccccc3O2)cc(C)c1Br 225260159 HGRHQHGDUZZHNM-OAHLLOKOSA-N 406.276 3.401 0 40 HGAB CCOC(=O)c1cccc(NC(=S)NCc2ccccc2CN2CCCC2=O)c1 225652498 DDCCJZDXSCUFMB-UHFFFAOYSA-N 411.527 3.472 0 40 HGAB O=C(NCCCn1nc(C(F)(F)F)cc1C1CC1)[C@H]1[C@H]2C=C[C@H](CC2)[C@H]1C(=O)O 225753691 RGAGQKMRRLTDJO-UWWPHRKUSA-N 411.424 3.199 0 40 HGAB CN1CCN(C[C@@H](O)COCCOc2ccc(C(C)(C)C)cc2C(C)(C)C)CC1 226070438 IZDRZBAVVYYVOH-HXUWFJFHSA-N 406.611 3.285 0 40 HGAB CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)NC(c2ccccc2)c2ccccc2)cc1 408598261 YNGRZCKLCPHRHF-QGZVFWFLSA-N 424.522 3.268 0 40 HGAB O=C(COC(=O)c1ccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1)Nc1ccc(F)cc1 408656236 IOYKEYJGAGLQDG-RTBURBONSA-N 422.412 3.077 0 40 HGAB O=C(Nc1cccc(Br)c1)c1ccc(N2C(=O)c3cncnc3C2=O)cc1 408975725 MBOCVIGRGPRVOE-UHFFFAOYSA-N 423.226 3.292 0 40 HGAB Cc1ccc([C@@H]2[C@@H](NC(=O)c3ccccc3)C(=O)N/[N+]2=C\c2ccc(F)cc2)cc1 409055244 KPGPSFBRTPMUJR-KSYIGNPDSA-O 402.449 3.150 0 40 HGAB COC(=O)COc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2OC)cc1Cl 409238845 MDMVJVGYQQPBTF-UHFFFAOYSA-N 420.270 3.355 0 40 HGAB Cc1cccc(O[C@H](C)C(=O)N2CCN(C(=O)c3cc4ccccc4c(O)n3)CC2)c1 522944736 WXMOWSWZQXAPHL-QGZVFWFLSA-N 419.481 3.001 0 40 HGAB Cc1[nH]c2ccc(F)cc2c1CCN1C(=O)[C@H](C(N)=O)[C@H]2C[C@@]1(C)Oc1ccccc12 524731077 JLYKROQUARPLSC-NSXLHWASSA-N 421.472 3.384 0 40 HGAB biogenic O=C(Cc1ccc2c(c1)CCCO2)N1CC2(C[C@@H](OCc3ccncc3)CS2)C1 575404691 UMAXCJQWDWIXNT-HXUWFJFHSA-N 410.539 3.252 0 40 HGAB Cc1nn(CCNC(=O)c2ccc(N3C(=O)CCC3=O)cc2)c(C)c1-c1ccsc1 575612439 FESNKXAEKDFANJ-UHFFFAOYSA-N 422.510 3.312 0 40 HGAB CC(C)C[C@H](NC(=O)COc1ccccc1-n1cnnc1)c1nc2ccccc2[nH]1 604419460 XLZZEIDJJJLRFS-SFHVURJKSA-N 404.474 3.426 0 40 HGAB NC(=O)[C@@H](NC(=O)c1cc(Br)cc(N2CCCC2)c1)c1ccc(F)cc1 1528233669 VZXFQXLAKOEMDE-KRWDZBQOSA-N 420.282 3.145 0 40 HGAB Cn1c(C(=O)N2CCC3(CC2)CC(=O)N(Cc2ccncc2)C3)cc2ccccc21 1565556277 AVSVJJMJQZQFOQ-UHFFFAOYSA-N 402.498 3.228 0 40 HGAB O=C(C[C@@]1(COc2ccccc2)CCCN(C(=O)c2ccccc2)C1)N1CCOCC1 2037905505 SQMRPYCEROKEGB-VWLOTQADSA-N 422.525 3.237 0 40 HGAB O=C(COc1ccc(Cl)cc1)N1CCN(C(=O)COc2ccc(Cl)cc2)CC1 1474005 AHMFDKPGQGSCJM-UHFFFAOYSA-N 423.296 3.122 0 40 HGAB CCOC(=O)c1c(N)n(CCCOC(=O)c2ccco2)c2nc3ccccc3nc12 2314592 JBIVGEZDJVWZTJ-UHFFFAOYSA-N 408.414 3.184 0 40 HGAB Cc1c(C(=O)OC(C)C)sc(NC(=O)c2cc3ccccc3oc2=O)c1C(N)=O 2757178 OPLORQMIUDEXMU-UHFFFAOYSA-N 414.439 3.079 0 40 HGAB CCOC(=O)[C@](NC(=O)c1ccccc1OCC)(Nc1cc(C)on1)C(F)(F)F 3103570 RFZBUYLIQMWIHG-QGZVFWFLSA-N 415.368 3.045 0 40 HGAB CC[C@H](C(=O)OCC(=O)Nc1sc2c(c1C(N)=O)CCCC2)c1ccccc1 3309294 PDCBIKOCUWLKDR-AWEZNQCLSA-N 400.500 3.401 0 40 HGAB CCn1c(SCC(=O)Nc2cc(C)on2)nc2sc3c(c2c1=O)CCCC3 3410975 XLWMXDHWHALMNI-UHFFFAOYSA-N 404.517 3.384 0 40 HGAB COc1ccccc1Nc1nnc(SCC(=O)Nc2sccc2C(N)=O)s1 3494371 OXUUEONFHKLEAR-UHFFFAOYSA-N 421.529 3.182 0 40 HGAB CCOc1ccccc1-n1nnnc1S[C@@H](C)C(=O)c1ccc(OC)cc1OC 3522380 JHUBBVHAYYXZOQ-ZDUSSCGKSA-N 414.487 3.442 0 40 HGAB Cc1ccc(-n2ncc3c(SCC(=O)N4C[C@H](C)O[C@@H](C)C4)ncnc32)c(C)c1 4341787 HEDXILNNLBCFKU-HOTGVXAUSA-N 411.531 3.160 0 40 HGAB CC(C)NC(=O)Cn1c(SCC(=O)N2[C@@H](C)CCC[C@H]2C)nc2ccccc21 4859277 CUWFIZRSYSYQIK-IYBDPMFKSA-N 402.564 3.443 0 40 HGAB COc1ccc(S(=O)(=O)NCc2ccco2)cc1NC(=O)c1ccccc1C 5059394 ASCMTCYPHGPZPY-UHFFFAOYSA-N 400.456 3.327 0 40 HGAB CCc1ccc(CN(C(=O)COc2ccccc2Cl)[C@H]2CCS(=O)(=O)C2)cc1 5100878 LSHCMSHAXDAFSL-SFHVURJKSA-N 421.946 3.497 0 40 HGAB COc1ccc2cc(/C=C/C(=O)OCC(=O)Nc3ccc(C(N)=O)cc3)ccc2c1 5573257 SJQOKNVEZFHQJG-QDEBKDIKSA-N 404.422 3.142 0 40 HGAB COc1ccc(C)cc1S(=O)(=O)Nc1ccc(I)cc1 6024005 WFSWNEBNAGITCG-UHFFFAOYSA-N 403.241 3.409 0 40 HGAB COc1cc([C@H]2[C@H]3CCCC[C@]3(O)CCN2CC(=O)NCc2ccccc2)ccc1O 6641838 VRIZZBHMPMVZAN-YNJKOYDBSA-N 424.541 3.385 0 40 HGAB biogenic O=C(CN1C(=O)S/C(=C\C=C\c2ccccc2)C1=O)NCCc1ccc(O)cc1 6661075 HRUSGAUPBOTVKL-LLLGHMJXSA-N 408.479 3.344 0 40 HGAB CCOc1cc([C@@H]2c3c(oc4cc(C)cc(C)c4c3=O)C(=O)N2CCO)ccc1O 6743338 CGDOHLHWMQJYTF-HXUWFJFHSA-N 409.438 3.052 0 40 HGAB Cc1nc2ccc(N[C@@H](C)C(=O)Nc3cccc(S(=O)(=O)N(C)C)c3)cc2s1 7242177 PCFKCXLYSCCISF-LBPRGKRZSA-N 418.544 3.294 0 40 HGAB COc1ccc(C)cc1-n1nnnc1SCC(=O)N(C)Cc1ccc(C)cc1C 7584606 UDLVJIAQGMOFNX-UHFFFAOYSA-N 411.531 3.347 0 40 HGAB CCN(CC(=O)Nc1ccccc1OC)C(=O)[C@H]1CC(=O)N([C@H](C)c2ccccc2)C1 7735544 PMOOBPKOCZGAEU-MJGOQNOKSA-N 423.513 3.092 0 40 HGAB C[C@@H]1Oc2ccc(NC(=O)CNC(=O)c3ccc(Cl)cc3Cl)cc2NC1=O 8014379 HJZLWYSBTAPQJL-VIFPVBQESA-N 408.241 3.081 0 40 HGAB C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)NCCc2cccs2)C1=O 8157089 VPNXZSNTSYENQG-QFIPXVFZSA-N 407.495 3.027 0 40 HGAB CCOC(=O)c1c(COC(=O)CCN2CCSC2=O)nc2ccccc2c1C 8543557 RAESLYSFJAVRNO-UHFFFAOYSA-N 402.472 3.322 0 40 HGAB C[C@H](Sc1nc2ccccc2n1C)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F 8808365 FSEINBSQPMSWKH-JTQLQIEISA-N 422.432 3.226 0 40 HGAB CNC(=O)NC(=O)[C@@H](OC(=O)/C=C/c1cccc(Br)c1)c1ccccc1 9283463 PIQFNHDBLNXZFM-DVQDXYAYSA-N 417.259 3.202 0 40 HGAB C[C@@H](c1nnc(SCc2nnnn2-c2ccccc2)n1-c1ccc(F)cc1)N(C)C 9338725 KTMRQQQPJICBEX-AWEZNQCLSA-N 424.509 3.297 0 40 HGAB Cc1ccccc1CN(C)C(=O)CSc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 9377783 KRJOMOJOMTVGFK-UHFFFAOYSA-N 419.510 3.168 0 40 HGAB COc1ccc(OC)c2sc(N(CCCN(C)C)C(=O)c3cc(C)no3)nc12 11694238 XAOGCPVYFFQXCC-UHFFFAOYSA-N 404.492 3.208 0 40 HGAB COc1ccccc1CC(=O)N[C@H]1C[C@]2(CCC(=O)N(C)CC2)Oc2ccccc21 12086408 MTJAQKYAOBYBAC-YADARESESA-N 408.498 3.259 0 40 HGAB O=C1C[C@@H](N2CCN(c3ccc(O)cc3)CC2)C(=O)N1c1cc(Cl)cc(Cl)c1 12374550 WAIPPTPFBHFFPL-GOSISDBHSA-N 420.296 3.153 0 40 HGAB O=C(CCc1ccccc1)N1CCC([C@@H]2C[C@H](C(F)(F)F)n3ncnc3N2)CC1 12407802 POWFZGMFHFTLKV-DLBZAZTESA-N 407.440 3.437 0 40 HGAB C[C@H](NC(=O)COc1cccc(N2CCCC2=O)c1)c1ccc(-n2ccnc2)cc1 12547487 GVKBWDDKGWPLGH-KRWDZBQOSA-N 404.470 3.255 0 40 HGAB Cc1cc(NC(=O)[C@@H](C)SCC(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)no1 12581323 UHLKEQXFTRPQGH-CJNGLKHVSA-N 413.503 3.283 0 40 HGAB CCc1ccccc1NC(=O)CN1CCN(C(=O)N[C@H]2CCCc3occc32)CC1 12984160 VMFNVAMIZOZKIH-FQEVSTJZSA-N 410.518 3.185 0 40 HGAB NC(=O)Nc1ccc(C(=O)OCC(=O)Nc2ncc(C(F)(F)F)cc2Cl)cc1 13134952 ZUIABJYNCHSQEE-UHFFFAOYSA-N 416.743 3.040 0 40 HGAB O=C(CSc1nnnn1-c1cccc(C(F)(F)F)c1)Nc1ccc(C(=O)O)cc1 13729692 FYLVOASFMBPYRI-UHFFFAOYSA-N 423.376 3.110 0 40 HGAB CCc1nn2c(C)c(C(=O)N3CCOCC3)nnc2c1-c1cccc2ccccc12 14607695 AAUNWROXEFICLQ-UHFFFAOYSA-N 401.470 3.288 0 40 HGAB CC(=O)c1c(F)cccc1N1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 15111314 WSPWNCURGYARGP-UHFFFAOYSA-N 416.518 3.418 0 40 HGAB COc1ccc(F)cc1S(=O)(=O)N(C)CC(=O)Nc1ccc(C(F)(F)F)cc1 16188219 YXXGMDGHFIBYLY-UHFFFAOYSA-N 420.384 3.112 0 40 HGAB Cc1nc(C)c(CCC(=O)Nc2nnc(SCc3ccc(F)cc3)s2)c(=O)[nH]1 16469038 NGISIUGDGHJAKZ-UHFFFAOYSA-N 419.507 3.241 0 40 HGAB COc1ccc(NC(=O)CCNS(=O)(=O)c2ccc(C(C)(C)C)cc2)c(OC)c1 16635820 YVBIGEWBEABGDD-UHFFFAOYSA-N 420.531 3.308 0 40 HGAB COc1cccc(OCc2nnc(SCC(=O)Nc3ccccc3OC)o2)c1 17227380 IZYNQACTDOHDMX-UHFFFAOYSA-N 401.444 3.397 0 40 HGAB CCCCCOc1c(OC)cccc1[C@H]1NC(=S)NC(C)=C1C(=O)OCCOC 18117108 RBDFUAXOMRUSFH-GOSISDBHSA-N 422.547 3.247 0 40 HGAB O=C(NCc1cccc(CN2CCCCCC2)c1)[C@H]1CC(=O)N(Cc2ccccn2)C1 19401464 VKTVUTKMMNXJBY-QFIPXVFZSA-N 420.557 3.123 0 40 HGAB CCc1[nH]c(=O)c(C(=O)Nc2ccc3c(c2)nc(CN2CCCCC2)n3C)cc1C 19521484 UPWLSWAYFVKFBR-UHFFFAOYSA-N 407.518 3.371 0 40 HGAB CCOCc1ccc(C(=O)N2CCC[C@H]2c2n[nH]cc2-c2ccnc(N(C)C)n2)cc1 19531247 AOSMABOYRUJOEI-FQEVSTJZSA-N 420.517 3.447 0 40 HGAB Cc1nc2ncccn2c1CN1CCC[C@H](c2cc(=O)[nH]c(-c3cccs3)n2)C1 19555041 AXYNNDGVLYDRKG-HNNXBMFYSA-N 406.515 3.229 0 40 HGAB COc1ccc(CN2CCC[C@@](Cc3ccccc3-c3cncnc3)(C(N)=O)C2)cc1 19555079 KSCCZBHASWCTBG-VWLOTQADSA-N 416.525 3.462 0 40 HGAB CN(C)C(=O)[C@@]1(Cc2cccc(-c3cccs3)c2)CCN(C(=O)[C@@H]2CCCO2)C1 19579861 WWSQRSDBCOMEMT-WMZHIEFXSA-N 412.555 3.444 0 40 HGAB Cc1noc(C)c1CCC(=O)N1CCC[C@H](C(=O)c2cnn(-c3ccccc3)c2N)C1 19580651 PLPINNWUWPBQPP-KRWDZBQOSA-N 421.501 3.113 0 40 HGAB Cn1c(CCC(=O)N2CCCN(Cc3ccccn3)CC2)nc2cc(Cl)ccc21 19714199 LPKHFXNVOLGNNH-UHFFFAOYSA-N 411.937 3.289 0 40 HGAB CC1CCN(CC(=O)N2CCC[C@@H](N(C)C(=O)c3nccc4ccccc34)CC2)CC1 19749771 FYANTWYEBJXMQB-OAQYLSRUSA-N 422.573 3.420 0 40 HGAB COCCC(=O)N1CCC(c2ncc(C(=O)Nc3ccc(Cl)cc3)c(C)n2)CC1 19763804 YAEFJNCJSQIYOH-UHFFFAOYSA-N 416.909 3.433 0 40 HGAB Cc1ccc(NC(=O)C[C@@H]2N=C(Nc3nc(-c4ccccc4)cs3)NC2=O)cc1 19819625 QDUTUNQKMKJOML-INIZCTEOSA-N 405.483 3.414 0 40 HGAB CCOc1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 19857118 JCOHKSWNYHCJMO-GOSISDBHSA-N 402.516 3.266 0 40 HGAB COc1cccc(-c2cc(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)on2)c1 19894451 HWEKTRGXKVWUQW-UHFFFAOYSA-N 421.453 3.037 0 40 HGAB CCCCCNC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(OC)c(C)c1 20009045 KLRYGKMQGFHNRZ-HXUWFJFHSA-N 418.559 3.200 0 40 HGAB COc1ccccc1NC(=O)C(=O)N1N=C(C2CCCCC2)C[C@]1(O)C(F)(F)F 20059991 INDVDENVCSNEFZ-SFHVURJKSA-N 413.396 3.053 0 40 HGAB CSc1nc(N(C)CCN2CCOCC2)c2c3c(sc2n1)COC(C)(C)C3 20462396 VTNYOROKHZDYLG-UHFFFAOYSA-N 408.593 3.033 0 40 HGAB CCCN1C(=O)[C@](NC(=O)c2ccccc2OC)(C(F)(F)F)N=C1c1ccccc1 20589645 MIPAXJPHLCDLLA-FQEVSTJZSA-N 419.403 3.383 0 40 HGAB COc1ccc(-c2nc3n(n2)[C@H](CC(=O)Nc2ccc(C)c(Cl)c2)C(=O)N3)cc1 20745697 XYMTUWVJEYCNKJ-MRXNPFEDSA-N 411.849 3.438 0 40 HGAB COCC(=O)N1CCCc2ccc(NS(=O)(=O)c3cc(Cl)ccc3OC)cc21 21756896 OWLUWTAKXSAJKY-UHFFFAOYSA-N 424.906 3.075 0 40 HGAB CCOC(=O)c1c(NC(=O)CN2CCN(C)CC2)sc(Cl)c1-c1ccccc1 22034615 KLDKZTOJHAAIQS-UHFFFAOYSA-N 421.950 3.431 0 40 HGAB Cc1cccc(N(CC(=O)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)S(C)(=O)=O)c1 22327551 QIWYDOWCFLLHIP-IBGZPJMESA-N 416.543 3.488 0 40 HGAB COc1ccc([C@H](CNC(=O)CN2CCc3sccc3C2)N2CCCCC2)cc1 22550068 STSIHLAXIMNJTC-NRFANRHFSA-N 413.587 3.458 0 40 HGAB COCCCN1C(=O)c2ccc(C(=O)Nc3ccccc3Br)cc2C1=O 24003891 ZBRDRPZGKWKDQN-UHFFFAOYSA-N 417.259 3.334 0 40 HGAB CCOC(=O)c1ccc(NC(=O)[C@@H](C)N(c2ccccc2)S(C)(=O)=O)c(Cl)c1 30753956 RDMHJCAECFICMY-CYBMUJFWSA-N 424.906 3.310 0 40 HGAB Cc1ccc(C)c(N2C(SCCOc3ccccc3)=N[C@@H]3CS(=O)(=O)C[C@@H]32)c1 32640640 XSUXFQQMXTVMFK-QUCCMNQESA-N 416.568 3.457 0 40 HGAB O=C(CS(=O)(=O)Cc1csc(-c2ccccc2)n1)NCc1ccccc1F 32929890 KQRKDJVMMUCFPA-UHFFFAOYSA-N 404.488 3.180 0 40 HGAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)NCc2ccc(C)cc2)cc1Cl 39986481 WGOSZZCEXOQOLE-UHFFFAOYSA-N 424.950 3.374 0 40 HGAB CCN(CC(=O)Nc1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(Cl)cc1 39986855 NTDWVQPWBOSTMC-UHFFFAOYSA-N 412.895 3.007 0 40 HGAB Cc1nn(C)c(Cl)c1C(=O)OCC(=O)Nc1ccccc1C(=O)c1ccccc1 40034418 OYDDPODSFMTGOI-UHFFFAOYSA-N 411.845 3.408 0 40 HGAB CN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)Nc1cccc(C(F)(F)F)c1 40286366 UPRJGRVYDRXRSR-IBGZPJMESA-N 403.360 3.253 0 40 HGAB Cc1nccn1-c1ccccc1CNC(=O)c1ccc(NS(C)(=O)=O)c(Cl)c1 44883133 SEEUPPLOHBIYSI-UHFFFAOYSA-N 418.906 3.136 0 40 HGAB CC[C@H](NC(=O)[C@@H]1CCN(S(C)(=O)=O)c2ccccc2O1)c1ccc(C)cc1 44935978 JLBXWXWVIAKLMG-PXNSSMCTSA-N 402.516 3.180 0 40 HGAB O=C(NCCc1ccc(Br)s1)c1ccc2c(=O)[nH]c(S)nc2c1 47073029 IOMSCXIHJPAQHT-UHFFFAOYSA-N 410.318 3.008 0 40 HGAB CC(C)(C)c1ccc(S(=O)(=O)NCCN2CCN(c3ccccc3)CC2)cc1 56966019 XSRHNXQIMKOHKK-UHFFFAOYSA-N 401.576 3.085 0 40 HGAB C[C@H]1CN(C(=O)CN2C(=O)COc3ccc(Cl)cc32)C[C@@H](c2ccccc2)O1 62515277 MYLUISHLWSRZMW-LIRRHRJNSA-N 400.862 3.054 0 40 HGAB FC(F)(F)c1cccc(C2(CNC(=S)NC[C@@H]3CCCO3)CCOCC2)c1 63673545 XLANCXMZYSHJGF-INIZCTEOSA-N 402.482 3.397 0 40 HGAB Cc1noc(C)c1S(=O)(=O)NC1(C(=O)Nc2ccc3ccccc3n2)CCCC1 72301596 JTWRJVUSBREWTE-UHFFFAOYSA-N 414.487 3.069 0 40 HGAB CN(C)c1ncc(C(=O)N2CCC([C@@H]3CC(=O)c4cc(Cl)ccc4O3)CC2)cn1 72336697 CLSITFUFUJHCKH-IBGZPJMESA-N 414.893 3.082 0 40 HGAB COc1ccccc1N1CCN(C(C)=O)[C@@H](Cc2ccccc2Br)C1=O 72390207 NMIAGCLXQPUIBG-SFHVURJKSA-N 417.303 3.264 0 40 HGAB CON(C)S(=O)(=O)c1cccc(C(=O)N[C@H]2c3cccc(F)c3CC[C@H]2C)c1 79024609 XDBYJKYWILJGEV-BFUOFWGJSA-N 406.479 3.061 0 40 HGAB CN(Cc1ccccc1)S(=O)(=O)C[C@H]1CCCN1C(=O)OCc1ccccc1 83864257 JSYWUXQBRQCQJL-HXUWFJFHSA-N 402.516 3.249 0 40 HGAB COc1ccccc1N1CCN(C(=O)Cc2c(C)n[nH]c2-c2ccc(F)cc2)CC1 95472532 FMMBJPMTBFIJOJ-UHFFFAOYSA-N 408.477 3.424 0 40 HGAB CC(C)[C@H](C)NC(=O)c1ncn2c(C3CCN(Cc4cccnc4)CC3)ccnc12 96155704 DXOFTFHGONAYRE-KRWDZBQOSA-N 406.534 3.278 0 40 HGAB CCC[C@@]1(C(=O)OCC)N[C@@H](c2cccs2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 100421280 VBMTZEQWPXOMBR-RQXXJAGISA-N 412.511 3.300 0 40 HGAB Cc1ccc(NC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1 101420837 BDOCNUMZBHEEEX-FQFSJJOFSA-N 400.478 3.352 0 40 HGAB COc1ccc(NC(=O)c2ccc(N3C(=O)[C@H]4CC=CC[C@H]4C3=O)cc2)c(OC)c1 102301501 FJWSXAXNCDFHOS-HDICACEKSA-N 406.438 3.412 0 40 HGAB C[C@H](NS(=O)(=O)c1ccc(NC(=O)COCC2CC2)cc1)[C@H]1C[C@H]2CC[C@H]1C2 105654456 HOMOCRDMARHTQH-JWWIWJDOSA-N 406.548 3.155 0 40 HGAB CC[C@H](C(=O)NCCCc1cccc(OC)c1)N(c1ccc(C)cc1)S(C)(=O)=O 219097305 DHTJMKFKUMNOMK-OAQYLSRUSA-N 418.559 3.297 0 40 HGAB COc1ccc(-c2noc(CNC(=O)[C@H](C)Oc3ccc(C)cc3C)n2)c(OC)c1 219536838 AZJFJXILQPBFBL-HNNXBMFYSA-N 411.458 3.454 0 40 HGAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1cccnc1 223608019 WXAOFOZAAIPMQA-SFTDATJTSA-N 407.543 3.239 0 40 HGAB COc1ccc(S(=O)(=O)NCC2CCCCC2)cc1I 223983912 BLQMMQYEHMVUPQ-UHFFFAOYSA-N 409.289 3.158 0 40 HGAB CN(c1ccc(Cl)c(C(=O)NC[C@@H]2CCCO2)c1)S(=O)(=O)c1ccccc1 224331586 LFSWXCIEDJKPDX-HNNXBMFYSA-N 408.907 3.074 0 40 HGAB COc1ccc(S(=O)(=O)N(CC(=O)NCC(C)(C)C)Cc2ccccc2)cc1 226077583 RPCSCIIKZUTCAT-UHFFFAOYSA-N 404.532 3.048 0 40 HGAB O=C(N[C@@H]1CCC[C@@H](Oc2ccccc2)[C@@H]1O)c1cccc(OCCN2CCCC2)c1 257247275 IYGHDCAUJYLGHD-WXFUMESZSA-N 424.541 3.252 0 40 HGAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@H](c1ccccc1)N(C)S(C)(=O)=O 260843344 QRXNHYRPAAYRBB-QUCCMNQESA-N 416.543 3.346 0 40 HGAB CCc1ccc(CN2CC[C@@]3(COCc4cnc(NCc5cncn5C)nc43)C2)cc1 306144730 ZNILZPBEQVSESA-DEOSSOPVSA-N 418.545 3.059 0 40 HGAB CCOc1ccc(N([C@H](C)C(=O)N[C@@H](C)CCc2ccccc2)S(C)(=O)=O)cc1 408629789 HXPJPIYDZJEIEW-ZWKOTPCHSA-N 418.559 3.377 0 40 HGAB CCCC[C@@H](C(=O)OCC(=O)Nc1ccccc1OC)N1C(=O)c2ccccc2C1=O 408657234 GZTVGEJSYZBKRU-SFHVURJKSA-N 424.453 3.032 0 40 HGAB O=C(NCC1CCN(c2ccncc2)CC1)N1CCc2c(cnn2-c2ccccc2)C1 537882478 TWZSIYYLXSPZNR-UHFFFAOYSA-N 416.529 3.252 0 40 HGAB c1ccc2c(c1)CCC[C@H]2c1noc(C2CCN(c3ccc4nncn4n3)CC2)n1 569894331 AYQUOJRWHINHJL-GOSISDBHSA-N 401.474 3.360 0 40 HGAB Cc1cc(Nc2ncc(C)s2)nc(C2CCN(C(=O)[C@@H]3CCCCN3)CC2)n1 585263418 IJUWOXMYYRLSLE-INIZCTEOSA-N 400.552 3.142 0 40 HGAB CN1CCN(C(=O)C[C@H](CN2Cc3ccccc3C2=O)c2ccc(Cl)cc2)CC1 1565525055 ZBBOCGRBVVWVMR-LJQANCHMSA-N 411.933 3.244 0 40 HGAB C[C@@H](NC(=O)N1CCN(Cc2ccc(C(F)(F)F)cc2)C(=O)C1)c1cccnc1 1681796384 SENOESBOJNQVNS-CQSZACIVSA-N 406.408 3.215 0 40 HGAB CC(C)(C)c1cn2nc(N3CCN(c4cc(C(F)(F)F)ncn4)CC3)ccc2n1 1888897589 JHMWQUWHRPDKQC-UHFFFAOYSA-N 405.428 3.162 0 40 HGAB Cc1ccc(Oc2nc3c(c(=O)n(Cc4ccc(F)cc4)c(=O)n3C)n2C)cc1C 1274726 LREDUSCAYNGZJM-UHFFFAOYSA-N 408.433 3.030 0 40 HGAB COc1cc([C@@H]2N[C@H](C(=O)O)Cc3c2[nH]c2ccccc32)cc(Br)c1O 1803633 OQHIGQNYZKAIPR-HOCLYGCPSA-N 417.259 3.333 0 40 HGAB biogenic O=C1[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccccc3)N2C(=O)CN1C[C@H]1CCCO1 2091989 FEFBOIZHIIZPLT-QATBIIFWSA-N 415.493 3.032 0 40 HGAB biogenic CCOC(=O)COc1cccc2c(=O)n(CC(=O)Nc3ccc(Cl)cc3)ccc12 2712219 QOJTUYBBBWXTAF-UHFFFAOYSA-N 414.845 3.236 0 40 HGAB COc1ccc(C)cc1NC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCC2)c1 3567190 NJTVYOHJJSOBLA-UHFFFAOYSA-N 404.488 3.049 0 40 HGAB COc1ccc(Cl)cc1C(=O)NCCc1cc2c(OC)ccc(OC)c2[nH]c1=O 4032783 CFRRKCYIXUOIST-UHFFFAOYSA-N 416.861 3.180 0 40 HGAB O=C(Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(C(=O)c2ccc(F)cc2)C1)c1ccco1 4258914 MZTFVLCKYQEFDJ-GOEBONIOSA-N 421.428 3.092 0 40 HGAB biogenic,in-vitro CCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCO)cc1OCC 4318717 LMBQTRAINAVQSO-FQEVSTJZSA-N 409.438 3.128 0 40 HGAB Cc1cc(C)cc(NC(=O)c2ccc(S(=O)(=O)N(C)C[C@@H]3CCCO3)cc2)c1 4348215 BDDHDLPJHVWQAF-IBGZPJMESA-N 402.516 3.355 0 40 HGAB O=C(O)[C@H]1CN(S(=O)(=O)c2cccc(C(F)(F)F)c2)c2cc(Cl)ccc2O1 6183035 ZMWGCOAFDFFOGO-CQSZACIVSA-N 421.780 3.400 0 40 HGAB O=C(COC(=O)Cc1c(F)cccc1Cl)Nc1ccccc1C(=O)NC1CC1 7107983 GLFHMSRENKXHDY-UHFFFAOYSA-N 404.825 3.096 0 40 HGAB C[C@@H](c1ccccc1)N1C[C@H](C(=O)OCC(=O)Nc2ccc(Cl)cc2)CC1=O 7232474 XDXSOMBSAOKGRJ-GOEBONIOSA-N 400.862 3.431 0 40 HGAB CCOc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)cc1 7232496 NFHCPTQKGJIBIV-FUHWJXTLSA-N 410.470 3.177 0 40 HGAB Cc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccccc3F)C2)cc1Cl 7295817 ZKRBGAGBRAGTDK-ZDUSSCGKSA-N 404.825 3.322 0 40 HGAB O=C(c1cc2ccccc2o1)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@H]1CCCO1 7671583 MVUXWEJBAUZWFP-MRXNPFEDSA-N 403.438 3.491 0 40 HGAB CC(C)n1nccc1NC(=O)[C@H](C)OC(=O)CNC(=O)c1ccc(C(C)(C)C)cc1 7801431 DDMWVDLUDWXZPA-HNNXBMFYSA-N 414.506 3.062 0 40 HGAB CN(CC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1)Cc1cccc(Cl)c1 8120033 WOKBYDFAIVXRLE-UHFFFAOYSA-N 421.950 3.195 0 40 HGAB CN(CC(=O)Nc1ccccc1Cl)C(=O)C[C@H]1Sc2ccccc2NC1=O 8285322 SDCDMRJYDDDMJQ-MRXNPFEDSA-N 403.891 3.240 0 40 HGAB O=C(CCn1ncc(=O)c2ccccc21)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 8369119 AZKPUKTZFIKBCS-LJQANCHMSA-N 419.481 3.312 0 40 HGAB O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1cc(Cl)c(O)c(Br)c1 8477250 YKHYGAGKKDILNA-BJMVGYQFSA-N 413.655 3.213 0 40 HGAB O=C(N[C@@]1(C(F)(F)F)N=C(O)N(Cc2ccccc2)C1=O)c1ccc(Cl)cc1 9013701 QHPNDLQTNIVCOM-QGZVFWFLSA-N 411.767 3.285 0 40 HGAB CCCC(CCC)C(=O)NCCn1ncc2c(=O)n(Cc3cccc(F)c3)cnc21 9016620 BDZZRQWKSOWGSZ-UHFFFAOYSA-N 413.497 3.113 0 40 HGAB CC(C)OC(=O)C[C@@H](NC(=O)N1CCN(C(=O)C(C)C)CC1)c1ccccc1Cl 9460310 WCMYQEVEVSMECI-GOSISDBHSA-N 423.941 3.233 0 40 HGAB O=C1NC2(CCCC2)C(=O)N1CCC(=O)N1CCC[C@H]1c1nc2ccccc2s1 9996066 PHAYCPZGJZXJFL-HNNXBMFYSA-N 412.515 3.215 0 40 HGAB Cc1nn(C)c(C)c1CC(=O)OCC(=O)Nc1ccc(Cl)cc1C(F)(F)F 10199410 NRANWPTUGDVZQT-UHFFFAOYSA-N 403.788 3.434 0 40 HGAB CCc1ccc([C@H](NC(=O)Cn2[nH]c(=O)c3ccccc3c2=O)c2cccs2)cc1 10447490 CZVICXGPJLLQBE-NRFANRHFSA-N 419.506 3.220 0 40 HGAB CCOc1ccc(CCNC(=O)COC(=O)Cc2c[nH]c3ccccc23)cc1OCC 10633575 YVYUQBNHSBTGNY-UHFFFAOYSA-N 424.497 3.410 0 40 HGAB CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)c1ccc2ncsc2c1 10707433 HRPSSMFIMVEPJB-UHFFFAOYSA-N 403.529 3.054 0 40 HGAB COc1ccc(C2(C(=O)N(C)Cc3nc(N(C)C)ncc3-c3ccncc3)CC2)cc1 12088883 ZTHHLTLPCIWMIM-UHFFFAOYSA-N 417.513 3.303 0 40 HGAB COc1ccc(CNC(=O)[C@@H]2CCCN(c3nc4ccccc4n3C)C2)c(OC)c1 12116448 GOUIQMPVQDAYCS-QGZVFWFLSA-N 408.502 3.123 0 40 HGAB COc1ccc([C@H](O)CN2CCC(NC(C)=O)(c3ccc(F)cc3)CC2)cc1OC 12188413 PELJBRJNSUYFMC-HXUWFJFHSA-N 416.493 3.004 0 40 HGAB COc1ccc([C@H](O)CN2CCC3(CC2)C[C@H](O)c2cc(C)ccc2O3)cc1OC 12329683 JGKMQMAJQMCTGP-VQTJNVASSA-N 413.514 3.396 0 40 HGAB Cc1ccc(C)c(NC(=O)CSc2nnc(-c3cccs3)n2CCC(N)=O)c1 12809730 FWWJPEHTRFFZTI-UHFFFAOYSA-N 415.544 3.230 0 40 HGAB Cc1cccc(NC(=O)CNC(=O)Cc2cc(Cl)c3c(c2)OCCCO3)c1C 12914808 PAHMJBFSPOZPMT-UHFFFAOYSA-N 402.878 3.416 0 40 HGAB CC(C)=C1[C@H]2CC[C@@H]1[C@H]1C(=O)N(NC(=O)COc3ccc(C(C)(C)C)cc3)C(=O)[C@H]21 13144370 MLRLTPLFYJYRNB-HRQSHJORSA-N 410.514 3.372 0 40 HGAB Cc1cc(-c2cnn(CCNC(=O)c3cnc(C)nc3C)c2-c2cccs2)on1 13226750 NYWSAWBLMMLSTP-UHFFFAOYSA-N 408.487 3.412 0 40 HGAB COc1ccc(/C=C/C(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)cc1OC 14000295 DCDGDOSKBLSDNJ-DPCFLFMUSA-N 410.470 3.265 0 40 HGAB CCN(CC)C(=O)CN1CCN(c2ncnc3sc(-c4ccccc4)cc23)CC1 14198183 HKJSLTXHFKFTJV-UHFFFAOYSA-N 409.559 3.349 0 40 HGAB CCc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)cc1 15080401 XVOVHWBCMNELMA-UHFFFAOYSA-N 402.516 3.297 0 40 HGAB Cc1cc(C)cc(-n2ccn3c(CCC(=O)NCCC4=CCCCC4)nnc3c2=O)c1 15736334 RPSKUFRDEZYOKT-UHFFFAOYSA-N 419.529 3.436 0 40 HGAB Cc1c(Cl)cccc1NC(=O)CNC(=O)CN(C)CCOc1ccc(Cl)cc1 17287659 SCDHLPFBLUWFIG-UHFFFAOYSA-N 424.328 3.367 0 40 HGAB COCCn1c(SCC(=O)Nc2cc(C)on2)nnc1-c1c[nH]c2ccccc12 17822956 WTIVCKAJIPAZMS-UHFFFAOYSA-N 412.475 3.100 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(CCC(=O)Nc2ccc(NC(C)=O)cc2)cc1 18076685 TXURWUUQOHYKMJ-UHFFFAOYSA-N 417.531 3.247 0 40 HGAB C[C@H](c1ccccc1Cl)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 19077279 JKMHWNJUXGGVEE-CYBMUJFWSA-N 422.963 3.412 0 40 HGAB COc1ccc(N2C[C@@H](C(=O)N3CCC[C@H]3c3cc(OC)ccc3OC)CC2=O)cc1 19556305 FUGJBKKOCDVABN-KKSFZXQISA-N 424.497 3.429 0 40 HGAB CCN(CC(=O)Nc1ccc(F)c(Cl)c1)S(=O)(=O)c1ccc(OC)c(C)c1 19929725 CYXSRHDQSMFSHA-UHFFFAOYSA-N 414.886 3.445 0 40 HGAB COc1ccc(OCCN2CCN(C(=O)c3cccc(-n4cccc4)c3)CC2)cc1 20907827 RMSULZZSGJIKRE-UHFFFAOYSA-N 405.498 3.323 0 40 HGAB CCCOc1ccc(C(=O)NC(=S)Nc2ccc(CN3CCOCC3)cc2)cc1 22438161 XGOMYCWDWUWMQJ-UHFFFAOYSA-N 413.543 3.434 0 40 HGAB COc1ccc(Cl)cc1C(=O)NC[C@H](c1ccc(C)cc1)N1CCN(C)CC1 22582559 RKPCIVCHOQMESK-HXUWFJFHSA-N 401.938 3.376 0 40 HGAB COc1ccc(CN2CCN([C@H](C)C(=O)N[C@@H](C)c3ccc(F)cc3)CC2)cc1F 22772781 ZMQQXEHAYFONJG-DLBZAZTESA-N 417.500 3.357 0 40 HGAB C[C@@H](C(=O)N(C)C1CCCCC1)N1CCN(CC(=O)Nc2ccccc2Cl)CC1 22783046 MGVZGFYVAKNALH-KRWDZBQOSA-N 420.985 3.076 0 40 HGAB O=S(=O)(NC[C@@H](c1cccs1)N1CCOCC1)c1ccc2ccccc2c1 23107944 BIUZQZSQAFWHRB-IBGZPJMESA-N 402.541 3.253 0 40 HGAB COc1cccc(NC(=O)Cn2cccc(-c3nc(-c4ccccc4)no3)c2=O)c1 23125695 TWKRWQKAAHYYRS-UHFFFAOYSA-N 402.410 3.213 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)c2cc(F)ccc2OC)cc1 23698805 NDGMAJXQRSGSAQ-AWEZNQCLSA-N 408.495 3.356 0 40 HGAB O=C(Cn1nnc(-c2cccs2)n1)Nc1ccccc1C(=O)Nc1ccccc1 24923453 IPYULVROFGJXDR-UHFFFAOYSA-N 404.455 3.293 0 40 HGAB O=C(NC1CCCC1)[C@@H](Cc1ccccc1)NC(=O)N1CC(O)=Nc2ccccc21 25108549 WMAMYROEEFAJIB-LJQANCHMSA-N 406.486 3.474 0 40 HGAB COc1ccc(-c2noc(CCCCCNC(=O)c3ccc4[nH]nnc4c3)n2)cc1 28813874 XNNSUKRJTRNTKA-UHFFFAOYSA-N 406.446 3.159 0 40 HGAB Cc1oc2nc[nH]c(=O)c2c1C(=O)/N=c1/sccn1Cc1ccccc1Cl 29651723 VWWPKAHONJMQEO-RELWKKBWSA-N 400.847 3.130 0 40 HGAB COc1ccccc1CN(C)C(=O)[C@H](C)N(c1cc(Cl)ccc1C)S(C)(=O)=O 30863225 WTSINGKRDIBMSF-HNNXBMFYSA-N 424.950 3.470 0 40 HGAB CCOC(=O)C(C(=O)OCC)[C@@H](c1ccccc1)N1CCN(c2ccccc2)CC1 31667143 FJTWHNJVFYIULD-JOCHJYFZSA-N 410.514 3.292 0 40 HGAB COc1cc2c(cc1OC)-c1c(c(C(=O)Nc3ccc(NC(C)=O)cc3)nn1C)C2 32101399 YFRHLMPGQRJVSI-UHFFFAOYSA-N 406.442 3.219 0 40 HGAB C[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc2[nH]c(C(C)(C)C)nc2c1 32465505 DEKGEILKCHVJNC-LBPRGKRZSA-N 418.494 3.305 0 40 HGAB Cc1cc(N2CCN(Cc3nc4sc(C)c(C)c4c(=O)[nH]3)CC2)nc(C(C)C)n1 32717251 YQYRKPBQALSMEM-UHFFFAOYSA-N 412.563 3.145 0 40 HGAB Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)Cc2c(F)cccc2Cl)CC1 36447069 JPYQSXVMXZTEGE-UHFFFAOYSA-N 417.912 3.421 0 40 HGAB C[C@]12CCC(=O)N1c1ccccc1C(=O)N2CCCC(=O)N1CCc2ccccc21 40073414 BMJHCRPTHQSOMH-XMMPIXPASA-N 403.482 3.355 0 40 HGAB CN(C)[C@H](CNC(=O)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1)c1cccs1 44118148 WVRRFTGFNPVVCE-IAGOWNOFSA-N 402.520 3.290 0 40 HGAB O=C(NNC(=O)[C@H]1CCCN1c1ncc(C(F)(F)F)cc1Cl)c1ccccc1 44838571 AAKFKYWMPPYJAH-CQSZACIVSA-N 412.799 3.184 0 40 HGAB Cc1nccn1-c1ccc(NC(=O)c2ccc(CN3C[C@H](C)O[C@H](C)C3)cc2)cn1 47275913 RIWOITLIMHWWBS-CALCHBBNSA-N 405.502 3.437 0 40 HGAB CCOc1ccc([C@H](C)NC(=O)Nc2ccc(N3CCOCC3)nc2)cc1OC 48082908 QSINEIAAALSOPL-HNNXBMFYSA-N 400.479 3.208 0 40 HGAB CC(=O)N1CCCc2cc(S(=O)(=O)Nc3ccc(-c4csnn4)cc3)ccc21 57120259 RZDRNANZWIZEMD-UHFFFAOYSA-N 414.512 3.305 0 40 HGAB Cc1c(C)c(C)c(S(=O)(=O)N2CCN(Cc3nnc(C(C)C)o3)CC2)c(C)c1C 60371442 QNRHZOCFCRXHND-UHFFFAOYSA-N 420.579 3.242 0 40 HGAB CCOC(=O)[C@H]1CCCN(C(=O)CCc2csc(NC(=O)c3cccs3)n2)C1 70655560 IUUPCAHMYSRDIR-ZDUSSCGKSA-N 421.544 3.191 0 40 HGAB COc1ccccc1-c1nc(C(=O)N(CCCN(C)C)CCCN(C)C)cs1 72277232 CFCQPWCYVBRCJB-UHFFFAOYSA-N 404.580 3.164 0 40 HGAB CC(=O)NCc1cnc([C@H]2CCCN2C(=O)Cc2ccccn2)cc1C(F)(F)F 72356126 SQOSJXSGACSQMH-GOSISDBHSA-N 406.408 3.038 0 40 HGAB O=C1NCC2(CCC(NS(=O)(=O)c3ccc(Cl)cc3)CC2)Oc2ccccc21 72391097 JMPZNECUQZDFTK-UHFFFAOYSA-N 420.918 3.122 0 40 HGAB CCO[C@@H]1C[C@@H](NC(=O)c2cc(S(=O)(=O)N3CCCC3)c(C)o2)C12CCCCC2 78878982 YIUULACTONHGIB-RTBURBONSA-N 424.563 3.230 0 40 HGAB COCCOC(=O)Nc1cccc(NCC(=O)Nc2ccnn2C2CCCC2)c1 79017436 YWVITMPSRZXWTD-UHFFFAOYSA-N 401.467 3.244 0 40 HGAB CN(C)C(=O)Sc1ccccc1NC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12 83844142 KDIFZYCTDAGIAH-QRTARXTBSA-N 422.576 3.125 0 40 HGAB COCCn1cc(NC(=O)[C@H]2c3ccccc3CCN2C(=O)OC(C)(C)C)cn1 89662335 JNNZHJXDPCETRG-GOSISDBHSA-N 400.479 3.003 0 40 HGAB C[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccccc1)OC(=O)c1cnn2cccnc12 95431869 VERWTPYJSOAYQX-MAUKXSAKSA-N 410.474 3.411 0 40 HGAB CCCN(CC(=O)O)C(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1 95970021 FIIIZIXQBFNCES-UHFFFAOYSA-N 409.236 3.231 0 40 HGAB COCCN(C)C(=O)[C@H]1C[C@@]2(CO1)CN(Cc1ccc(F)cc1F)c1ccccc12 96143992 SUIIDKOBPDSMTD-GGAORHGYSA-N 416.468 3.117 0 40 HGAB CC(C)C(=O)N1CCC2(CC1)O[C@H](C(=O)Nc1ccc(Cl)cc1)Cn1ccnc12 96144652 OIAFIKZIQNHTMF-KRWDZBQOSA-N 416.909 3.048 0 40 HGAB CCN1CCn2c(-c3ccccc3)cnc2C12CCN(C(=O)c1cscn1)CC2 96145010 JZPVVDKNJFAWJM-UHFFFAOYSA-N 407.543 3.474 0 40 HGAB CCOC(=O)c1ccccc1NC(=O)[C@H](C)N(c1ccc(C)c(C)c1)S(C)(=O)=O 107709911 UYHZPXHSSNEMJI-INIZCTEOSA-N 418.515 3.273 0 40 HGAB CN(C)C(=O)CSc1nc2ccc(N3C(=O)[C@@H]4CCCC[C@H]4C3=O)cc2s1 108895494 DTDPXUDVPCIIKZ-CHWSQXEVSA-N 403.529 3.156 0 40 HGAB CCOC(=O)[C@@H](Cc1ccc(I)cc1)NC(=O)OC(C)(C)C 115259739 QYCIEEAEVUVRJX-CYBMUJFWSA-N 419.259 3.290 0 40 HGAB CSc1cccc(N(CC(=O)N[C@H](C)CCc2ccccc2)S(C)(=O)=O)c1 220069029 JFGZENFHXDJXPM-MRXNPFEDSA-N 406.573 3.312 0 40 HGAB CC[C@H](C(=O)N[C@@H](C)c1ccccc1OC)N(c1ccc(F)cc1)S(C)(=O)=O 222619220 HXXMCPNWZJOZSN-KBXCAEBGSA-N 408.495 3.256 0 40 HGAB CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(OC)c(OC)c1 222805198 VANWZAGOBVTUKS-CQSZACIVSA-N 404.894 3.063 0 40 HGAB Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H](C(=O)NCCc3ccccc3)C2)c1 225921446 DNCOANOIWJJZBW-HXUWFJFHSA-N 400.544 3.063 0 40 HGAB COc1ccccc1N1CCN(C[C@H](O)CO[C@@H]2C[C@H]3CC[C@@]2(C)C3(C)C)CC1 245108410 SWFMYEJWXJGCLJ-OMXLDXBASA-N 402.579 3.410 0 40 HGAB COc1cc(C(=O)NS(=O)(=O)c2cccc(Cl)c2C)ccc1OC(F)F 257316694 VGOVUGRWIYKXJQ-UHFFFAOYSA-N 405.806 3.377 0 40 HGAB c1cnc(Oc2cccc(CN3CCOC[C@H](Cc4cn5ccnc5cn4)C3)c2)nc1 257317194 VISSXHDNKPTHGB-LJQANCHMSA-N 416.485 3.003 0 40 HGAB Cc1cccnc1Nc1cncc(C2CCN(C(=O)Cc3c(C)noc3C)CC2)n1 257319790 VUARLNUXPURMIR-UHFFFAOYSA-N 406.490 3.477 0 40 HGAB CCOc1ccc(NS(=O)(=O)c2ccc(O[C@H](C)C(=O)NC(C)C)cc2)cc1 408606385 PDBSHZUMDIARTO-OAHLLOKOSA-N 406.504 3.178 0 40 HGAB Cc1cc(C)cc(N2C[C@@H](C(=O)OCC(=O)Nc3ccccc3Cl)CC2=O)c1 408654056 JIJPSURRDIOKDI-HNNXBMFYSA-N 400.862 3.492 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)N[C@H]1C[C@H]2CC[C@H]1C2 408701578 ADTPJNLEDGQKME-BXWFABGCSA-N 406.548 3.034 0 40 HGAB O=C1CN(C(=O)CCCN2c3cccc4cccc(c34)S2(=O)=O)c2ccccc2N1 408702323 BGQXOXZJIOZFNT-UHFFFAOYSA-N 421.478 3.114 0 40 HGAB O=C(CN1C(=O)S/C(=C\c2ccc(C(=O)O)cc2)C1=O)Nc1ccc(F)cc1 409154930 PJMWIKCWSGZFSM-DHDCSXOGSA-N 400.387 3.199 0 40 HGAB O=C(CSC1=NCCS1)Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1 883600 HUQICFFPOZJAEC-UHFFFAOYSA-N 413.590 3.072 0 40 HGAB CCOC(=O)[C@@H](C)Oc1cccc2c(=O)n(CC(=O)Nc3ccc(C)cc3)ccc12 2712270 JYYSEUPORZMMMG-MRXNPFEDSA-N 408.454 3.279 0 40 HGAB O=C(NCc1ccc2c(c1)OCO2)c1sc(=S)n2c1[nH]c(=O)c1ccccc12 2956458 SXRQNIHPKXIWJF-UHFFFAOYSA-N 411.464 3.230 0 40 HGAB CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)Nc1cccc(Cl)c1 3346297 YCRSOCUDRICJTI-SFHVURJKSA-N 424.906 3.053 0 40 HGAB Cc1cccc(OCC(=O)N(Cc2ccc(Cl)cc2)[C@@H]2CCS(=O)(=O)C2)c1 4183015 LAWOSTXONICGPM-GOSISDBHSA-N 407.919 3.243 0 40 HGAB CCc1ccc(NC(=O)COC(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)cc1 4836503 CZZSQHPOTPYQSY-UHFFFAOYSA-N 418.515 3.075 0 40 HGAB CSc1ccc(/C=C/c2nc(-c3ccccc3O)n(S(=O)(=O)N(C)C)n2)cc1 5274460 HOLWREKKBBFBQG-JLHYYAGUSA-N 416.528 3.198 0 40 HGAB CCN(CC)C(=O)c1ccc(NC(=O)COC(=O)c2ccc(Cl)c(N)c2)cc1 6422280 NFCAHKGWWGBJCO-UHFFFAOYSA-N 403.866 3.200 0 40 HGAB CCC[C@H](C)NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(OC)c1 6946631 BIXHPKHZYLJIRO-INIZCTEOSA-N 420.531 3.204 0 40 HGAB CC(C)c1ccc(OCc2nnc(SCC(=O)N(C)c3ccccc3)n2N)cc1 7672775 LSDQOYMTHODEEM-UHFFFAOYSA-N 411.531 3.449 0 40 HGAB O=C([C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1)N1CCCCC1 7870955 FFDMXKZISGOYMU-LJQANCHMSA-N 406.935 3.242 0 40 HGAB Cc1ccc(NC(=O)[C@@H]2CCCN2C2=NS(=O)(=O)c3ccccc32)c(Cl)c1 8122427 MMDIHAUPBCEFDJ-INIZCTEOSA-N 403.891 3.200 0 40 HGAB CCn1c(CSc2nccn2C)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 8136041 FJWOXGDWHJBSGK-UHFFFAOYSA-N 419.576 3.257 0 40 HGAB CCc1ccc(S(=O)(=O)Nc2cccc(-c3ccc(N4CCOCC4)nn3)c2)cc1 8609909 CGQLYMAPGNAOGV-UHFFFAOYSA-N 424.526 3.343 0 40 HGAB O=C(NCc1ccccc1)c1nc(S(=O)(=O)Cc2ccc(F)cc2)ncc1Cl 8613644 HALLRABCFJVWOR-UHFFFAOYSA-N 419.865 3.173 0 40 HGAB COc1ccc2[nH]cc(CCNC(=O)CCCc3nc(-c4cccnc4)no3)c2c1 8764800 ACTMQEMWEWLHEJ-UHFFFAOYSA-N 405.458 3.303 0 40 HGAB biogenic CN1C(=O)COc2ccc(S(=O)(=O)Nc3ccc(C(=O)c4ccccc4)cc3)cc21 8783514 GDJNVIZEQLRBRM-UHFFFAOYSA-N 422.462 3.074 0 40 HGAB CCCC(CCC)C(=O)NCCn1ncc2c(N3CCCC3)nc(SC)nc21 8946351 KZDLMVNTNGNQCA-UHFFFAOYSA-N 404.584 3.481 0 40 HGAB CC1CCN(C(=O)[C@H](C)OC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)CC1 9182887 YODUYALJRHFRRT-WMZOPIPTSA-N 420.937 3.382 0 40 HGAB O=C1CCC(C(=O)O[C@@H](C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccccc2)=NN1 9788974 COBPFXHXAPONJN-QGZVFWFLSA-N 420.252 3.482 0 40 HGAB O=C(Cc1ccc(Br)cc1)NCCOc1ccc(-c2ccco2)nn1 9853256 SNSZNPPKNJAXTH-UHFFFAOYSA-N 402.248 3.237 0 40 HGAB Cc1cc(C)cc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(Br)cc2)c1 10127216 NXRCKUGHIAOYOD-ZDUSSCGKSA-N 411.321 3.371 0 40 HGAB O=C(COc1ccccc1Br)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1 10238600 VHWQYBCRYPKBSU-HNNXBMFYSA-N 424.316 3.048 0 40 HGAB COC(=O)c1ccc(C)c(NC(=O)[C@@H](C)N(c2cc(C)ccc2C)S(C)(=O)=O)c1 10371890 ZREMZXPKROOCLF-MRXNPFEDSA-N 418.515 3.192 0 40 HGAB COc1ccc(OC[C@@H](C)NS(=O)(=O)Cc2ccc(Br)cc2)cc1 10543657 DTZPRCXVDHTSEN-CYBMUJFWSA-N 414.321 3.345 0 40 HGAB CC(=O)c1cccc(S(=O)(=O)NCCC(=O)Nc2nc3ccc(C)cc3s2)c1 10893166 OKXRABPZGGGIIY-UHFFFAOYSA-N 417.512 3.114 0 40 HGAB COc1ccccc1CNC(=O)CSc1nnc(N2CCC(C)CC2)n1C1CC1 11378823 VEUIRZQDBSEAFY-UHFFFAOYSA-N 415.563 3.266 0 40 HGAB Cc1cc(C)c2sc(N(CCCN3CCOCC3)C(=O)c3ccnn3C)nc2c1 12444207 BXODMARLYXODEY-UHFFFAOYSA-N 413.547 3.016 0 40 HGAB CCOC(=O)CC(=O)CSc1nc2sc(C)c(C)c2c(=O)n1Cc1ccco1 12583855 LPRFVCCBUGAIKW-UHFFFAOYSA-N 420.512 3.331 0 40 HGAB Cc1cc(NC(=O)Cc2ccc(Cl)c(Cl)c2)n([C@@H]2CCS(=O)(=O)C2)n1 12856357 BAKDZWGFUQADIO-GFCCVEGCSA-N 402.303 3.039 0 40 HGAB CSc1ccc(C)c(C(=O)N2CCC(NS(=O)(=O)c3cccs3)CC2)c1 12902184 WQTZWXMAVIAYJU-UHFFFAOYSA-N 410.586 3.362 0 40 HGAB O=C([C@@H]1CN(C(=O)c2ccc(Cl)c(Cl)c2)c2ccccc2O1)N1CCOCC1 12975942 LNSKHYIKTBVIGI-SFHVURJKSA-N 421.280 3.260 0 40 HGAB Cc1ccccc1[C@@H](C)NC(=O)CN1CCN(c2ccc(C(F)(F)F)cn2)CC1 13038760 RJHCIKBUXZDTEW-MRXNPFEDSA-N 406.452 3.408 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc([C@H](C)NCC(=O)Nc2cccc(OC)c2)cc1 13058859 SIHXYQBZLOGAHU-INIZCTEOSA-N 419.547 3.015 0 40 HGAB COc1ccc(-c2nnc(SCC(=O)N3CCc4ccccc4C3)n2C)cc1OC 13568940 XOTSAMCLBHZHRQ-UHFFFAOYSA-N 424.526 3.176 0 40 HGAB O=C([C@H]1CCCO1)N1CCc2ccc(NS(=O)(=O)c3ccccc3Cl)cc21 13696674 IAIGRTVLIOOGAY-QGZVFWFLSA-N 406.891 3.209 0 40 HGAB Cc1nnc(NC(=O)[C@H]2CC(=O)N(CCc3c[nH]c4ccc(Cl)cc34)C2)s1 13944774 MQPJZQBHCOCMOQ-LBPRGKRZSA-N 403.895 3.011 0 40 HGAB CC(C)CCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 14215791 KDPADYGUYDRCGC-CQSZACIVSA-N 417.369 3.012 0 40 HGAB CCOC(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2C)cc1 14830889 BTLQYYTXXVDMLX-UHFFFAOYSA-N 416.499 3.209 0 40 HGAB COCCn1cc(-c2csc(NC(=O)[C@H](C)Cn3cncn3)n2)c2ccccc21 19457919 GYNOBDPBSJUDED-CQSZACIVSA-N 410.503 3.278 0 40 HGAB Cc1nc(N)c2ccc([C@@H]3CN(C(=O)CCc4cccc(Cl)c4)CCO3)nc2n1 19704815 HPPWNHCOWLFULV-SFHVURJKSA-N 411.893 3.102 0 40 HGAB CCCNS(=O)(=O)c1ccc(OCC(=O)Nc2cc(F)ccc2F)c(Cl)c1 20022971 ZSDIYUDQDGUBOW-UHFFFAOYSA-N 418.849 3.324 0 40 HGAB Cc1ccc(Cl)cc1NC(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1 20484827 XZLXWVLXJXOPST-INIZCTEOSA-N 415.298 3.468 0 40 HGAB COc1ccc([C@H]2CCCN2C(=O)c2ccc(=O)n(CCOc3ccccc3)n2)cc1 21624456 BPUDQVZWHXZZHW-JOCHJYFZSA-N 419.481 3.308 0 40 HGAB Cn1ncc2c(NCc3ccccc3)nc(N3CCN(Cc4ccccc4)CC3)nc21 21929067 FHUSATDKZQFXNY-UHFFFAOYSA-N 413.529 3.298 0 40 HGAB C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)N1CCN(C[C@H]2CCCO2)CC1 22056406 NHDGPRQUKLTQJY-NFBKMPQASA-N 407.558 3.077 0 40 HGAB COc1cc(CNS(=O)(=O)c2ccc(N3CCCC3=O)cc2)ccc1OC(C)C 22517228 NOJIAGKWMPNTHO-UHFFFAOYSA-N 418.515 3.088 0 40 HGAB CN1CCN([C@H](CNC(=O)c2ccc(Br)cc2)c2ccc(F)cc2)CC1 22794830 SCYHBWAPBOOEDU-LJQANCHMSA-N 420.326 3.307 0 40 HGAB CCOc1ccc(C(=O)NC[C@@H](c2cccs2)N2CCOCC2)cc1OCC 23744808 YDEZFJAIXISHQY-KRWDZBQOSA-N 404.532 3.349 0 40 HGAB CC(=O)Nc1cc(NC(C)=O)cc(C(=O)N(C)CCOc2ccccc2Cl)c1 24185341 PLKZJOHHAVWKLN-UHFFFAOYSA-N 403.866 3.408 0 40 HGAB O=C(COc1ccc(Br)cc1)N[C@H](CN1CCOCC1)c1ccccc1 24259125 IVFOMLYOVSCIBY-LJQANCHMSA-N 419.319 3.018 0 40 HGAB COc1ccc(C)cc1NC(=O)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1 24610029 OQVKVLCNDMVSER-UHFFFAOYSA-N 420.506 3.323 0 40 HGAB CC(C)[C@@H](NC(=O)c1cccs1)C(=O)N1CCC[C@H](C(=O)Nc2ccccc2)C1 27031590 MFMXUTPAVFYSCV-QFBILLFUSA-N 413.543 3.380 0 40 HGAB COc1ccc(C)cc1Nc1nnc(SCc2ccccc2Cl)n(N)c1=O 28536123 DGAXCPYZAJWYDH-UHFFFAOYSA-N 403.895 3.358 0 40 HGAB COc1cc(C(=O)NCc2cccnc2-n2ccnc2)ccc1OCc1cscn1 29908687 GXXMVSBUPGKJLH-UHFFFAOYSA-N 421.482 3.241 0 40 HGAB CC(C)C[C@H](NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C)c1ccccc1 30851166 FHSQTXQXPFIMOP-FQEVSTJZSA-N 421.538 3.342 0 40 HGAB CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)CCn1ccc2ccccc21 32845367 DSFLBEITFYQEQF-UHFFFAOYSA-N 407.470 3.290 0 40 HGAB C[C@@H]1CCC[C@H](NC(=O)COC(=O)c2cnn(-c3ccccn3)c2C(F)(F)F)[C@@H]1C 32922165 UKDPJAXYOUAWPR-NFAWXSAZSA-N 424.423 3.384 0 40 HGAB O=C(NC[C@H]([C@@H]1CCOC1)N1CCOCC1)N[C@H](Cc1ccccc1)c1ccccc1 34868500 MHCGKCBYLOCQDA-WXFUMESZSA-N 423.557 3.007 0 40 HGAB CC(C)(C)NC(=O)[C@@H](c1cccnc1)N(C(=O)[C@@H]1CSC(=O)C1)C1CCCC1 35313985 BPJLGLQYWWCGNK-MAUKXSAKSA-N 403.548 3.088 0 40 HGAB Cc1cc(C(=O)N[C@H](C)Cc2cn(C)nc2C)c2c(C)nn(-c3ccccc3)c2n1 36614282 REHADNBIPNEXRW-CQSZACIVSA-N 402.502 3.440 0 40 HGAB C[C@@H](CCc1ccccc1)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 38279783 JQTWVGNQOVBIEA-ICSRJNTNSA-N 400.544 3.225 0 40 HGAB O=C(Nc1ccc(F)cc1)NC1CCN(C(=O)Cc2ccc(-n3cccn3)cc2)CC1 40154586 BWZKHLXDDKCRFO-UHFFFAOYSA-N 421.476 3.367 0 40 HGAB CC(C)c1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCCC[C@H]4C)[nH]c(=O)c32)cc1 40389004 FIPMOWCVNGAYCI-PBHICJAKSA-N 423.517 3.337 0 40 HGAB O=C(NCC1CCN(c2ccccn2)CC1)C(=O)Nc1ccccc1C(F)(F)F 43941415 OMJSTSSPBGVCEJ-UHFFFAOYSA-N 406.408 3.072 0 40 HGAB CN(C[C@H]1COc2ccccc2O1)C(=O)Cc1cc(Cl)c2c(c1)OCCCO2 48325933 GDNGNTKTGJLGLC-HNNXBMFYSA-N 403.862 3.342 0 40 HGAB COc1ccc(OCc2noc(CNC(=O)CSc3ccc(F)cc3)n2)cc1 49027156 QMXWFFZYZKUXJS-UHFFFAOYSA-N 403.435 3.205 0 40 HGAB O=C(Nc1nnc(COc2ccccc2)s1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 49550898 CTFVJPCBMHQMIK-CYBMUJFWSA-N 412.446 3.248 0 40 HGAB COc1ccccc1[C@@H](CNC(=O)NCc1cccc(O)c1)NC(=O)OC(C)(C)C 52553381 GCJBAKPPOPJTFU-GOSISDBHSA-N 415.490 3.466 0 40 HGAB COCCn1c(SCC(=O)Nc2cccc(C)c2C)nc2ccsc2c1=O 57425835 ZIWDHONMLCRRRR-UHFFFAOYSA-N 403.529 3.452 0 40 HGAB COC(=O)[C@@H](CNC(=O)Nc1ccc2c(C)cc(=O)oc2c1)Cc1ccc(F)cc1 58008794 NZZRWSSVSRGUAT-OAHLLOKOSA-N 412.417 3.394 0 40 HGAB NC(=O)[C@H](NC(=O)c1nc(Cl)ccc1Cl)c1cccc(Br)c1 58750622 ZEOKSAVUYKAXLC-LLVKDONJSA-N 403.063 3.107 0 40 HGAB COc1ccc(C)cc1NC(=O)C1CCN(c2ccc(-n3nc(C)cc3C)nn2)CC1 62163487 IWFAIAJPWYIZAH-UHFFFAOYSA-N 420.517 3.451 0 40 HGAB CCOc1ccc(S(=O)(=O)/C(=C/Nc2ccc(OC)c(OC)c2)C(=O)OC)cc1 67340339 YMXYZMHBBSBSBA-CPNJWEJPSA-N 421.471 3.003 0 40 HGAB COc1ccccc1S(=O)(=O)N1CCC[C@H]1c1cccc(Nc2cnccn2)n1 72375834 RWQLPNVVKHLDTH-INIZCTEOSA-N 411.487 3.150 0 40 HGAB CC(C)=C[C@H]1[C@H](C(=O)N2CCC(C(=O)NCCCN3CCCCC3)CC2)C1(C)C 78714440 WJNORECRZSHEOY-LEWJYISDSA-N 403.611 3.456 0 40 HGAB Cc1c(NS(=O)(=O)Cc2cc(Cl)ccc2F)c(=O)n(-c2ccccc2)n1C 79106638 XDHDQQKSOULVBV-UHFFFAOYSA-N 409.870 3.219 0 40 HGAB CC(C)c1nc2cc(NC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)ccc2[nH]1 85877206 GZFUKQONLJHXCW-BQFCYCMXSA-N 401.536 3.351 0 40 HGAB biogenic O=C([C@H]1CCCN(c2nc3ccccc3s2)C1)N1CCN(c2ccccn2)CC1 90504236 DNLHNAWXZBKUQM-KRWDZBQOSA-N 407.543 3.257 0 40 HGAB CC(C)c1cccc(NC(=O)N2CCC[C@@H](c3n[nH]cc3NS(C)(=O)=O)C2)c1 95999233 DXISCVQBZMHBLK-OAHLLOKOSA-N 405.524 3.316 0 40 HGAB Cc1ncccc1NC(=O)[C@H]1Cn2ccnc2C2(CCN(CC3CCCC3)CC2)O1 96243884 KMRAYBVXDWAUHF-HXUWFJFHSA-N 409.534 3.105 0 40 HGAB COc1cccc(C2=NO[C@@H]3C(=O)N(c4ccc(Cl)cc4Cl)C(=O)[C@H]23)c1OC 101286167 SDEUKQBEQZDDCN-PBHICJAKSA-N 421.236 3.303 0 40 HGAB C[C@@H]1CCc2c(sc(NC(=O)[C@H]3[C@@H](C(=O)O)[C@H]4C=C[C@H]3C4)c2C(=O)NC2CC2)C1 102339937 NMGHWFRUXCRMIJ-XJSUSFSXSA-N 414.527 3.227 0 40 HGAB O=C(COC(=O)c1cccc(N2C(=O)[C@H]3CCCC[C@@H]3C2=O)c1)Nc1ccccc1 136287212 MOKZCCAMBDHLCI-OALUTQOASA-N 406.438 3.162 0 40 HGAB CCOC(=O)C1CCN(C(=O)CSCc2ccccc2Br)CC1 165699969 COMRPJOLUXLWJR-UHFFFAOYSA-N 400.338 3.484 0 40 HGAB O=C(CCCC(=O)N1CCN(c2cccc(Cl)c2)CC1)NC[C@@H]1C[C@H]2C=C[C@@H]1C2 169680689 CINBZKSZUDJVRV-OTWHNJEPSA-N 415.965 3.487 0 40 HGAB CC(C)(C)SCCNC(=O)CN(c1ccc(C(F)(F)F)cc1)S(C)(=O)=O 220043791 SNMIVEPMIRQCOF-UHFFFAOYSA-N 412.499 3.119 0 40 HGAB CCOc1ccc(NC(=O)[C@H](CC)N(c2cccc(OC)c2)S(C)(=O)=O)cc1 220612163 CKBOZRDNEYQRRJ-IBGZPJMESA-N 406.504 3.277 0 40 HGAB CC[C@H](C(=O)NCCCc1cccc(C)c1)N(c1cccc(OC)c1)S(C)(=O)=O 220627689 PXEAWFRGXPEFGS-OAQYLSRUSA-N 418.559 3.297 0 40 HGAB CC[C@H](C(=O)N[C@H](C)c1ccc(OC)cc1)N(c1ccc(OC)cc1)S(C)(=O)=O 220657233 LHTRCZWDMZEGGQ-FOIQADDNSA-N 420.531 3.126 0 40 HGAB CC[C@H](C(=O)NC)N(Cc1ccccc1)C(=O)COc1ccc(Br)cc1 222952223 FTJFHWYBOPMEQI-GOSISDBHSA-N 419.319 3.381 0 40 HGAB CCC(=O)N(Cc1ccc(OC)cc1)[C@@H](C(=O)NC[C@H]1CCCO1)c1ccccc1 223546932 HKZWOSMLHAKNOR-FYYLOGMGSA-N 410.514 3.470 0 40 HGAB CN(c1cccc(C(=O)NCCOc2ccc(C(C)(C)C)cc2)c1)S(C)(=O)=O 223655954 BTXPSNRKNYYULD-UHFFFAOYSA-N 404.532 3.189 0 40 HGAB COc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCC(C)C)cc2)cc1OC 223991107 BKHYRFIEJPVAGZ-UHFFFAOYSA-N 406.504 3.281 0 40 HGAB Cc1cccc(N(CCCC(=O)NCCOc2ccccc2Cl)S(C)(=O)=O)c1 224626661 PLPRAYNXUQEDFO-UHFFFAOYSA-N 424.950 3.390 0 40 HGAB CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCc1ccc(Cl)cc1 225095443 XPHWWCZJOLCRJK-LJQANCHMSA-N 424.950 3.252 0 40 HGAB CC(C)n1c(=O)sc2cc(NC(=O)c3ccccc3NS(C)(=O)=O)ccc21 225146192 CBSTUTIGBVENOA-UHFFFAOYSA-N 405.501 3.268 0 40 HGAB CC(C)n1c(=O)sc2cc(S(=O)(=O)Nc3ccc4c(c3)OCCO4)ccc21 225707174 GRGMOIJAZULEHX-UHFFFAOYSA-N 406.485 3.216 0 40 HGAB O=S(=O)(Cc1ccccc1)N1CCO[C@H](c2ccc(Nc3ccccn3)cn2)C1 257225144 FFAUHGBHAYXNON-FQEVSTJZSA-N 410.499 3.124 0 40 HGAB NC(=O)C[C@H]1CN(C(=O)COc2ccc(F)cc2)CC[C@@H]1Oc1ccc(Cl)cc1 257284774 PEFMITGBSQFJNS-LIRRHRJNSA-N 420.868 3.029 0 40 HGAB NC(=O)c1cccc(-c2cccc([C@@H]3CN(C(=O)Cc4ccc(F)cc4)CCO3)n2)c1 257302982 SFHCFXRPGRQQBG-QFIPXVFZSA-N 419.456 3.129 0 40 HGAB CN1CCC(C(=O)NC[C@@H]2CC[C@@]3(C)C[C@H](c4ccccc4)C[C@](C)(O3)[C@H]2O)CC1 257321214 WAPNUCVFLBBNPS-YNFQPMOCSA-N 414.590 3.327 0 40 HGAB COc1ccccc1N(CC(=O)N[C@H](C)C(C)C)S(=O)(=O)c1ccc(C)cc1 260897444 LYQGRSMMYUGIPV-QGZVFWFLSA-N 404.532 3.360 0 40 HGAB Cc1ncsc1CN1C[C@@H]2c3cc(-c4ccc(F)nc4)ccc3S(=O)(=O)[C@@H]2C1 306138307 RURADFDVMUUQFP-VQIMIIECSA-N 415.515 3.408 0 40 HGAB O=C(CNC(=O)C(=O)Nc1cccc(Cl)c1)Nc1cc(Cl)cc(Cl)c1 408551385 HOHNTXSDSNCILF-UHFFFAOYSA-N 400.649 3.340 0 40 HGAB CCN(CC)C(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(OC)c(Cl)c1 408584154 MMEJEQFCEAEIJY-UHFFFAOYSA-N 424.950 3.408 0 40 HGAB CC1CCN(S(=O)(=O)c2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)CC1 408612800 YXDWJIICNXIBDM-GOSISDBHSA-N 416.543 3.363 0 40 HGAB O=C1[C@@H](NC(=O)C2(c3ccc(F)cc3)CCOCC2)CCN1c1ccccc1Cl 520321553 ZJMJHSUMOAALAO-SFHVURJKSA-N 416.880 3.449 0 40 HGAB CCOC1(c2nc([C@H]3CCCO3)no2)CCN(C(=O)c2cc(Cl)ccn2)CC1 583615981 ZJTOVDICEZVZHV-OAHLLOKOSA-N 406.870 3.138 0 40 HGAB CN1C(=O)C[C@H](C(=O)O[C@@H](CSc2nc[nH]n2)c2ccccc2)c2ccccc21 1122714629 MQLCVZNVYKGRDF-WMZOPIPTSA-N 408.483 3.332 0 40 HGAB CC(C)(C)c1ccc(OCC2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)nn1 1775966117 QELBGVKVSNPFNP-LJQANCHMSA-N 411.502 3.232 0 40 HGAB CCCc1nnc(S)n1CC(=O)N[C@H](C)c1cnn(-c2ccc(F)cc2)c1C 32827860 ULQMXEAKYIEPIA-GFCCVEGCSA-N 402.499 3.030 0 40 HGAB CCc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(OC)cc3)C2)cc1 796762 RJPDCCOLHHDKJQ-QGZVFWFLSA-N 402.516 3.297 0 40 HGAB COc1ccc2cc([C@@H](C)C(=O)Nc3cc(S(N)(=O)=O)ccc3OC)ccc2c1 32850776 BZNUVNARYKAPEI-CYBMUJFWSA-N 414.483 3.247 0 40 HGAB Cc1ccc2c(c1)c1nnc(SCc3ccc(CC(=O)O)cc3)nc1n2CC(=O)O 1331182 UXKPLFVZCAUZQB-UHFFFAOYSA-N 422.466 3.292 0 40 HGAB COc1ccc2oc(C(=O)OCC(=O)Nc3ccc(C(=O)N(C)C)cc3)c(C)c2c1 4525013 WMWIMZSQASHQEL-UHFFFAOYSA-N 410.426 3.247 0 40 HGAB CC(C)(C)NC(=O)CN1C(=O)C(C)(C)Oc2ccc(C(=O)NC3CCCCC3)cc21 4965759 DRVCCNCPXVTNQH-UHFFFAOYSA-N 415.534 3.168 0 40 HGAB CC(C)(C)[C@@H]1CCc2c(sc3nnn(CC(=O)Nc4nccs4)c(=O)c23)C1 4966131 GVNMBSVXBZKTST-SNVBAGLBSA-N 403.533 3.099 0 40 HGAB CCOC(=O)[C@H]1CCCN(C(=O)CCCN2C(=O)c3cccc4cccc(c34)C2=O)C1 7971467 ZJSLEEJPFMEORE-KRWDZBQOSA-N 422.481 3.018 0 40 HGAB O=C(COc1ccccc1F)N1[C@@H]2CC[C@@H]1CC(S(=O)(=O)c1ccccc1)C2 101323094 RKELPPNPZGQLDM-HZPDHXFCSA-N 403.475 3.200 0 40 HGAB COc1ccc(NS(=O)(=O)c2ccc(OC)c(C(=O)NC(C)C)c2)cc1Cl 10009001 DKINAQIRGQDHAD-UHFFFAOYSA-N 412.895 3.296 0 40 HGAB COCCn1c(SCC(=O)NCc2ccco2)nnc1-c1ccc(Cl)cc1 8230500 LHOGWCWJPPKGFG-UHFFFAOYSA-N 406.895 3.246 0 40 HGAB CC(C)c1ccc(-n2nnnc2SCc2cccc(S(=O)(=O)N(C)C)c2)cc1 8313607 RSGCIWQJAZKNPX-UHFFFAOYSA-N 417.560 3.328 0 40 HGAB CC(=O)c1cccc(NC(=O)CCC(=O)OCC(=O)Nc2cccc(Cl)c2)c1 8415483 JMCIGKMPUGZVIM-UHFFFAOYSA-N 402.834 3.443 0 40 HGAB CCOc1ccc(NC(=O)COC(=O)CCCC(=O)Nc2ccccc2OC)cc1 8417344 MZCHSLWOCMZCTP-UHFFFAOYSA-N 414.458 3.385 0 40 HGAB COc1ccc(OCCN2CCN(C(=O)c3ccc(SC)cc3OC)CC2)cc1 23761031 USXPYSUYJPQKOV-UHFFFAOYSA-N 416.543 3.263 0 40 HGAB O=C(O)c1ccc(N2C(=O)[C@H]3[C@@H](c4ccccc4)N(c4ccccc4)O[C@H]3C2=O)cc1 102762411 GGMRDPNNDBIXGV-PWRODBHTSA-N 414.417 3.436 0 40 HGAB Cc1ccc(Cl)cc1S(=O)(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1 28248001 UZUBJKLQICKOHZ-UHFFFAOYSA-N 416.933 3.462 0 40 HGAB COc1ccc(/C=c2\s/c(=C/C(=O)C(C)(C)C)[nH]c2=O)cc1OCc1ccccc1 105740283 VRATUCDWDUPLGM-ZFPLGESLSA-N 423.534 3.249 0 40 HGAB Cc1ccc(S(=O)(=O)N(CC(=O)NC2CC2)c2cccc(C(F)(F)F)c2)cc1 20235912 VJIGTYGSSJIISB-UHFFFAOYSA-N 412.433 3.488 0 40 HGAB C[C@@H](NC(=O)COC(=O)c1cc(=O)[nH]c2ccccc12)C12CC3CC(CC(C3)C1)C2 12566453 CTFPEYOJRTUGPJ-ZJRYTYELSA-N 408.498 3.406 0 40 HGAB COC(=O)C[C@H](NC(=O)NCc1ccc2c(c1)OCCO2)c1ccccc1Cl 29323248 HZQAVCTULDHSRB-INIZCTEOSA-N 404.850 3.215 0 40 HGAB CC(C)Cc1noc(CCCNC(=O)CNC(=O)c2ccc(C(C)(C)C)cc2)n1 58014153 UCLXYJDLWPPPQV-UHFFFAOYSA-N 400.523 3.044 0 40 HGAB Cc1ccc2cc(COC(=O)CN3C(=O)[C@H]4CCCC[C@@H]4C3=O)c(Cl)nc2c1 13145465 RFGQDEVNAXWYMS-HOTGVXAUSA-N 400.862 3.415 0 40 HGAB COc1ccc(OC)c2c1cc(C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)O)n2C 8764320 MGGIJDNVBXFVQI-KRWDZBQOSA-N 421.453 3.103 0 40 HGAB biogenic COc1ccc(C2=NO[C@]3(C(=O)Nc4ccccc43)[C@H]2C(=O)c2ccco2)cc1OC 13592101 OKUOKVJATFDHJJ-XXBNENTESA-N 418.405 3.378 0 40 HGAB CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCSCc2ccsc2)c1 14197516 OCHKMGHDUABSNG-UHFFFAOYSA-N 418.993 3.315 0 40 HGAB COc1ccc(-c2nnc(SCC(=O)Nc3cc(OC)ccc3OC)n2C)cc1 4519826 CMHVXJFESQCRSS-UHFFFAOYSA-N 414.487 3.239 0 40 HGAB Cc1ccc(C(=O)COc2ccc(NC(=O)[C@H]3[C@H]4C(=O)O[C@@H]5C[C@H]3C[C@H]45)cc2)cc1 4512325 OASUXXJVOJAEPK-FOQGZHGDSA-N 405.450 3.393 0 40 HGAB CCN(Cc1cccs1)C(=O)/C=C/c1ccc(OC)c(S(=O)(=O)N(C)C)c1 8941843 JJIZONOYYXMERZ-PKNBQFBNSA-N 408.545 3.069 0 40 HGAB C[C@H]1CCCC[C@H]1NC(=O)C(=O)Nc1ccccc1C(=O)NCCc1ccccc1 408710149 QGANTHPKOKCPIK-FXAWDEMLSA-N 407.514 3.293 0 40 HGAB O=C1NC2(CCCCCC2)C(=O)N1CC(=O)N1CCS[C@@H]1c1ccccc1F 9495546 DYRRRHGURHZGLL-QGZVFWFLSA-N 405.495 3.045 0 40 HGAB CCCn1nc(C(=O)N(C)[C@H](C)c2ccc(-n3cncn3)cc2)c2ccccc2c1=O 15095776 YYLKUIVKYKVQTO-MRXNPFEDSA-N 416.485 3.220 0 40 HGAB CC[C@@H](C(=O)Nc1ccc(OC)c(OC)c1)N(c1ccccc1F)S(C)(=O)=O 113967644 BUIGKKYHSUEJHN-HNNXBMFYSA-N 410.467 3.026 0 40 HGAB Cc1cccc(CN2CCN(C(=O)CCNC(=O)c3ccc(F)cc3Cl)CC2)c1 42387072 LROQHWFPXUVABJ-UHFFFAOYSA-N 417.912 3.252 0 40 HGAB O=C(N[C@H](c1ccccc1)c1ccncc1)c1cccc(S(=O)(=O)N2CCCC2)c1 6978539 UQRLELRLNBFJOA-JOCHJYFZSA-N 421.522 3.386 0 40 HGAB O=C(COC(=O)COc1ccc(Br)cc1)Nc1cc(F)ccc1F 6947232 MTRNYFPCXCBZDG-UHFFFAOYSA-N 400.175 3.288 0 40 HGAB Cc1cc2nc(SCC(=O)NCc3ccco3)n(-c3ccc(F)cc3)c(=O)c2[nH]1 67237294 GRLNYZIHSZNNFG-UHFFFAOYSA-N 412.446 3.163 0 40 HGAB CCS(=O)(=O)N1CCC[C@@H](c2nc3ccc(-c4cc(F)ccc4OC)cn3n2)C1 306131496 KGMVPBOSPKHBPX-OAHLLOKOSA-N 418.494 3.073 0 40 HGAB C[n+]1cn(C[C@H](O)COc2ccccc2C(=O)Nc2ccccc2)c2ccccc21 28462696 DTPZNJMXBWOOQC-IBGZPJMESA-O 402.474 3.158 0 40 HGAB O=C([C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)N1CC=C(c2ccccc2)CC1 8038620 NAOYGSKUZVMFEV-LJQANCHMSA-N 404.466 3.127 0 40 HGAB COc1ccc(/C=C/C(=O)N(Cc2ccccc2F)[C@H]2CCS(=O)(=O)C2)cc1 16750020 UZGKJRZWLITLOR-MZEUMTGBSA-N 403.475 3.063 0 40 HGAB Cc1cc(C(F)(F)F)nc(-n2nc(-c3cn(C)nc3C)cc2-c2cn(C)nc2C)n1 17090545 CWEDUWHATJXALN-UHFFFAOYSA-N 416.411 3.407 0 40 HGAB O=C(CCCNC(=O)c1cnccn1)N[C@@H]1CCCc2c1[nH]c1c(Cl)cccc21 96117025 FURGRWCQADVIBH-MRXNPFEDSA-N 411.893 3.315 0 40 HGAB COc1cc(S(=O)(=O)Nc2ccccc2F)cc(C(=O)N[C@H](C)C2CC2)c1OC 9515176 FVEJBYQOWPIPDJ-GFCCVEGCSA-N 422.478 3.172 0 40 HGAB CCNC(=O)NC(=O)[C@H](Sc1nnc(-c2cccnc2)n1C1CC1)c1ccccc1 9640672 STPXRVMTBVINIG-QGZVFWFLSA-N 422.514 3.354 0 40 HGAB CCc1ccc(NC(=O)C2=C(C)c3cc(OC)c(OC)cc3N(C)S2(=O)=O)cc1 20063957 HCTPLLYHBTUORE-UHFFFAOYSA-N 416.499 3.416 0 40 HGAB CN1C(=O)C[C@H](NC(=O)COc2ccc(Br)cc2)[C@@H]1c1ccc(F)cc1 89374735 DBGSDQKUGTYSOQ-LPHOPBHVSA-N 421.266 3.055 0 40 HGAB O=C(NCCN1CCCCCC1)c1ccc(NS(=O)(=O)c2cccs2)cc1 26114332 ZEVDCWFZVWLEMI-UHFFFAOYSA-N 407.561 3.155 0 40 HGAB CCOc1ccccc1N(CC(=O)Nc1cccc(OC(C)C)c1)S(C)(=O)=O 408629741 HDSXODYEWYEPQQ-UHFFFAOYSA-N 406.504 3.277 0 40 HGAB Cc1ccnc(CN2CC(F)(F)C[C@@]3(CCCN(Cc4cc(C)nn4C)C3=O)C2)c1 306144642 ZKVOGBGHVKUBHY-NRFANRHFSA-N 417.504 3.082 0 40 HGAB Cc1cccc(N(C)C(=O)CN2C(=O)N[C@H](c3cc(C)ccc3C)C3=C2COC3=O)c1 67288859 QYQFRRIVXOEKRI-JOCHJYFZSA-N 419.481 3.152 0 40 HGAB O=C(NC1CCCC1)c1nnc2n1CC1(CC2)CCN(Cc2cccc(F)c2)CC1 306136147 PKVKRGJXFZJDCE-UHFFFAOYSA-N 411.525 3.318 0 40 HGAB CCN(CC)C(=O)[C@H]1CCCN(C(=S)Oc2ccc3nc(C)c(C)nc3c2)C1 33623091 XBRPLJUNIHKHKN-INIZCTEOSA-N 400.548 3.491 0 40 HGAB CCN1C(=O)S/C(=C/c2ccc(OCC(=O)OC)c(Br)c2)C1=O 409073718 XCBWQTPGHGYWGA-KPKJPENVSA-N 400.250 3.057 0 40 HGAB Cn1cc(CN2CCC[C@H]([C@H](NC(=O)Cc3ccccc3)c3ccccn3)C2)cn1 72330478 PKBWIODTSVJKRX-URXFXBBRSA-N 403.530 3.127 0 40 HGAB COc1ccc(NC(=O)CSc2nnc(COc3ccccc3OC)n2C)cc1 409338942 CIXLOCDEQYFHRK-UHFFFAOYSA-N 414.487 3.142 0 40 HGAB CC(=O)Oc1ccc(C(=O)COC(=O)CCC(=O)Nc2cccc(Cl)c2)cc1 409179002 MKLXQCYTRJTLKR-UHFFFAOYSA-N 403.818 3.410 0 40 HGAB COc1cc(C)c(C)cc1S(=O)(=O)NC[C@H](O)c1ccc(C(F)(F)F)cc1 70640137 LEEGREIJQKHCQU-HNNXBMFYSA-N 403.422 3.343 0 40 HGAB Cc1ccc(O[C@@H](C)C(=O)N2CCC([C@@H]3C[C@H](C(F)F)n4ncnc4N3)CC2)cc1 72395682 WFVNPBYNVDUPAB-JCGIZDLHSA-N 419.476 3.283 0 40 HGAB Cc1cccc([C@@H](CNC(=O)Cc2csc(-c3ccco3)n2)N2CCOCC2)c1 31995026 NMYSCYGFCZWKRI-LJQANCHMSA-N 411.527 3.444 0 40 HGAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cccnc1SCC(F)(F)F 30014209 JNVSUZXZDHZXLQ-UHFFFAOYSA-N 408.405 3.245 0 40 HGAB CCn1c(=O)sc2cc(NC(=O)c3ccc(C)c(N(C)S(C)(=O)=O)c3)ccc21 225119595 SMYBWRIDEXMPEH-UHFFFAOYSA-N 419.528 3.039 0 40 HGAB Cc1ccccc1-c1noc(C[C@@H]2CCCN(C(=O)CNC(=O)c3ccccc3)C2)n1 220788444 NOUBOMFGFFDCIS-SFHVURJKSA-N 418.497 3.256 0 40 HGAB COc1ccc(S(=O)(=O)Nc2cccc(OC(C)C)c2)cc1N1CCCC1=O 44843291 GYSOHRLZVWMMSJ-UHFFFAOYSA-N 404.488 3.410 0 40 HGAB CC(C)n1c(=O)sc2cc(S(=O)(=O)NCCCN3CCC[C@@H](C)C3)ccc21 225717731 QADILPLIDMYTGM-OAHLLOKOSA-N 411.593 3.044 0 40 HGAB CC(C)[C@H](C)NC(=O)c1ccc(CN(c2ccccc2F)S(=O)(=O)N(C)C)cc1 225208762 UBSRNWICDAUQRG-INIZCTEOSA-N 421.538 3.413 0 40 HGAB CCOC(=O)c1cc(N(C)S(=O)(=O)c2ccc(OC)c(F)c2)ccc1Cl 225117396 RNMRCEBMVSLINY-UHFFFAOYSA-N 401.843 3.490 0 40 HGAB COC(=O)CSc1nnc(NC(=O)[C@H](C)Oc2ccc3c(c2)CCCC3)s1 225485785 JUYKPWMRTCROJH-NSHDSACASA-N 407.517 3.088 0 40 HGAB CCCSc1nnc(NC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)s1 223192256 UOVVNVFXDGJEMX-UHFFFAOYSA-N 420.969 3.098 0 40 HGAB C[C@@H](C(=O)Nc1ccccc1Br)N(c1cccc(F)c1)S(C)(=O)=O 220466816 WACJKUDMNYHIGL-NSHDSACASA-N 415.284 3.381 0 40 HGAB Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)NCCC2=CCCCC2)s1 224057087 OPAIPHXODCZRAP-UHFFFAOYSA-N 406.533 3.268 0 40 HGAB O=C(CSCCCCN1C(=O)c2ccccc2C1=O)Nc1ccc2c(c1)OCO2 40067199 OXOFODSKJBJYSM-UHFFFAOYSA-N 412.467 3.163 0 40 HGAB CCC(=O)Nc1nnc(S(=O)(=O)N[C@H](c2ccccc2)c2ccc(C)cc2)s1 225792165 LZPAFWCCXDBCPX-QGZVFWFLSA-N 416.528 3.263 0 40 HGAB CCOc1cccc(NC(=O)[C@H](CC)N(c2ccc(OC)cc2)S(C)(=O)=O)c1 220654289 HGIKOLXUXPGOAV-IBGZPJMESA-N 406.504 3.277 0 40 HGAB CN(Cc1ccccc1)C(=O)CN(c1ccc(C(F)(F)F)cc1)S(C)(=O)=O 220038536 MWLGQSDMFINYRC-UHFFFAOYSA-N 400.422 3.130 0 40 HGAB COc1ccc(CC(=O)N(Cc2ccc(OC)cc2)[C@H](C)C(=O)NCC(C)C)cc1 224476863 KPOHBAWMBIOKRW-GOSISDBHSA-N 412.530 3.436 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)NCC1=CCCCC1 225100062 RKMYFFLAORMXRV-UHFFFAOYSA-N 406.548 3.029 0 40 HGAB O=C(CCOc1ccccc1)N1CCC(c2nc(-c3ccc4nn[nH]c4c3)no2)CC1 576565310 FWDPUKODQXYHSJ-UHFFFAOYSA-N 418.457 3.183 0 40 HGAB COC1(c2nc(C3CCOCC3)no2)CCN(C[C@H](O)c2cc(C)cc(C)c2)CC1 583615844 CLTNMLGHWLTRAA-FQEVSTJZSA-N 415.534 3.252 0 40 HGAB Cc1csc(SCc2ccccc2C(=O)O[C@@H](C(=O)NC(N)=O)C(C)C)n1 5426709 XVXGBJNXTIEMRW-CQSZACIVSA-N 407.517 3.120 0 40 HGAB CC1(C)Cc2nc(-c3cnccn3)ncc2[C@@H](NC(=O)c2ccc3c(c2)OCCO3)C1 12239137 CWWOOMJOHKUUKH-KRWDZBQOSA-N 417.469 3.148 0 40 HGAB CCOc1ccc(C(=O)NCC(=O)OCC(=O)O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)cc1 12801314 JOLMTLQZNNAWJM-NSISKUIASA-N 419.518 3.362 0 40 HGAB CC(C)(C)[C@@H]1C[C@H](C(F)(F)F)n2nc(C3CCN(S(C)(=O)=O)CC3)cc2N1 19083423 ZKHGSUBHWMZFOZ-UONOGXRCSA-N 408.490 3.356 0 40 HGAB Cc1nc(C[C@@H](NS(=O)(=O)c2ccc(Cl)cc2)c2ccc(F)cc2)cc(=O)[nH]1 19285396 AJKWPAODGXLBRS-GOSISDBHSA-N 421.881 3.133 0 40 HGAB O=C(c1ccccn1)N1CCCC[C@@H]1c1nc(O)c2c(n1)CN(C1CCCC1)CC2 19400114 DOXYTVWFKHFUAM-HXUWFJFHSA-N 407.518 3.245 0 40 HGAB C[C@H](CN1CCOCC1)C(=O)N[C@H](CCc1ccccc1)c1ccc2c(c1)OCCO2 19456286 SVCOQXYWYFMBTM-DENIHFKCSA-N 424.541 3.216 0 40 HGAB CCOc1ncccc1C(=O)N[C@H](Cc1cc(=O)[nH]c(C)n1)c1ccc(Cl)cc1 19531534 WZGHFAONYNZMNT-GOSISDBHSA-N 412.877 3.239 0 40 HGAB COCCN1CCCC[C@H](C2CCN(Cc3ccc(-n4cccn4)cc3)CC2)C1=O 19744138 OBTRAXGHBBUBLL-HSZRJFAPSA-N 410.562 3.359 0 40 HGAB COCC1(O)CCN(C(=O)c2ccc(Oc3cccc(Cl)c3Cl)nn2)CC1 535453439 MQYSTRJERMAJQY-UHFFFAOYSA-N 412.273 3.189 0 40 HGAB O=C(CSc1nc(=O)n(C[C@@H]2CCCO2)c2c1CCCC2)Nc1ccccc1F 10255470 BZYUHTJQSJCDIN-AWEZNQCLSA-N 417.506 3.171 0 40 HGAB O=C1N[C@]2(C[C@H]3CC[C@H]2C[C@@H]3C(=O)N2CC[C@H](O)[C@@H]3CCCC[C@@H]32)Oc2ccccc21 247955833 NIBVGAOOZUMJJX-ZSXAKIGFSA-N 424.541 3.093 0 40 HGAB O=C(COC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(Br)s1 2650406 JUCJXOQQBGQPTJ-ZDUSSCGKSA-N 422.300 3.285 0 40 HGAB Cn1ncc2c(SCCS(=O)(=O)c3cc(Cl)ccc3Cl)ncnc21 11685853 UHDKGPSNZNPHHF-UHFFFAOYSA-N 403.316 3.236 0 40 HGAB COc1ccc(S(=O)(=O)Nc2nc(CC(=O)Nc3ccccc3)cs2)cc1 9828643 FYCBDDWXWFUJJE-UHFFFAOYSA-N 403.485 3.134 0 40 HGAB Cc1cccc(-n2ncc3c(O)nc(-n4nc(C)cc4NC(=O)c4ccco4)nc32)c1 11695405 MMBALOFBXCDFCQ-UHFFFAOYSA-N 415.413 3.169 0 40 HGAB COc1cc(NC(=O)C[C@@H]2CSc3nc(C(C)C)cc(=O)n32)cc(OC)c1OC 11613597 CTZOGUQTTMTCRP-CYBMUJFWSA-N 419.503 3.068 0 40 HGAB Cc1cc(=O)c(OCc2ccc(F)cc2)cn1CC(=O)Nc1ccc2c(c1)OCO2 12230530 RVCULGIQLZTOAJ-UHFFFAOYSA-N 410.401 3.242 0 40 HGAB Cc1ccc(-n2ncc3c(O)nc(-n4nc(C)cc4NC(=O)c4ccco4)nc32)cc1 16839206 YCCSHGQIRRDHPJ-UHFFFAOYSA-N 415.413 3.169 0 40 HGAB COc1ccccc1C(=O)NC1CCN(C(=O)c2cc(-c3ccccc3C)n[nH]2)CC1 49406854 LKKJHINKLGJAHC-UHFFFAOYSA-N 418.497 3.428 0 40 HGAB Cc1cc(=O)oc2cc(OCC(=O)NCc3cccc(NC(=O)C4CC4)c3)ccc12 24060810 IMZWBXAULKVTIG-UHFFFAOYSA-N 406.438 3.145 0 40 HGAB C[C@@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)c2cnc3sccn3c2=O)C1 40091126 LPVBIRYDTVZSCO-ZIAGYGMSSA-N 410.499 3.126 0 40 HGAB COc1cc(/C=C/C(=O)N2CCC[C@@H]2C(=O)Nc2nccs2)cc(Cl)c1OC 40068521 XYKMZTYDZPGOKQ-VBROQKIQSA-N 421.906 3.457 0 40 HGAB O=C(CCS(=O)(=O)C1CCCC1)NCc1cccc(C(=O)Nc2ccccc2)c1 40134449 HRMXKUUISCYFPO-UHFFFAOYSA-N 414.527 3.303 0 40 HGAB O=C(/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N[C@@H]1CCS(=O)(=O)C1 31612432 WYZDOFILQRKESC-YYRQZUAOSA-N 401.328 3.041 0 40 HGAB COc1ccccc1C(=O)CSc1ccc(S(=O)(=O)N2CCCCC2)cn1 31746775 ZTYOTBDYMCSVMC-UHFFFAOYSA-N 406.529 3.240 0 40 HGAB COC(=O)CCNC(=O)c1nc(SCc2ccc(Cl)cc2)ncc1Cl 41097958 GFGAXJMGYIEWHZ-UHFFFAOYSA-N 400.287 3.369 0 40 HGAB COc1ccc2nc(SCC(=O)Nc3sc4c(c3C(N)=O)CCCC4)[nH]c2c1 2641057 APPWIQXSSXGSJR-UHFFFAOYSA-N 416.528 3.342 0 40 HGAB O=C(N[C@@H]1CCCc2ccccc21)C1CCN(c2c3c(nc4ncnn24)CCC3)CC1 1238082 VTDSYHMLOZZYLO-HXUWFJFHSA-N 416.529 3.023 0 40 HGAB O=C(Cn1nnc(-c2ccccc2NC(=O)c2ccccc2F)n1)Nc1ccccc1 1361780 KJGSXPKPHVHOAV-UHFFFAOYSA-N 416.416 3.370 0 40 HGAB O=C(Nc1cccc(OC(F)F)c1)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO 78975212 SJZWHCIWHXUESG-QFBILLFUSA-N 405.445 3.293 0 40 HGAB CC(C)c1ccc(S(=O)(=O)NC[C@H]2CC(=O)N(CCc3ccccc3)C2)cc1 79099838 APGAWLIZWXAPKD-LJQANCHMSA-N 400.544 3.180 0 40 HGAB COCCn1c(SCC(=O)Nc2ccccc2Cl)nnc1-c1ccncc1 2622800 RZDPJCGEPIVENZ-UHFFFAOYSA-N 403.895 3.371 0 40 HGAB C[C@@H](Oc1ccc(F)cc1Br)C(=O)NCCc1cn2ccccc2n1 32924276 JBGUISCNWJHTKM-GFCCVEGCSA-N 406.255 3.362 0 40 HGAB CS(=O)(=O)N1CCc2cc(C(=O)Nc3ccc(Br)cc3F)ccc21 6766330 HFMMIYVEMLLPEW-UHFFFAOYSA-N 413.268 3.163 0 40 HGAB CC(=O)c1cccc(NC(=O)CCCC(=O)OCC(=O)Nc2ccc(F)cc2)c1 8416972 KHJGDVOXMMDQRG-UHFFFAOYSA-N 400.406 3.319 0 40 HGAB C[C@H](C(=O)N1CCc2ccccc21)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 23762845 MXLKZNZSAQRNII-OAHLLOKOSA-N 404.436 3.200 0 40 HGAB NC(=O)CSc1ccccc1NC(=O)Cc1cc(Cl)c2c(c1)OCCCO2 24765125 AOOAHNMYJYJMSM-UHFFFAOYSA-N 406.891 3.260 0 40 HGAB O=C(Nc1ccc(C(=O)N2CCN(C(=O)c3ccoc3)CC2)cc1)c1cccs1 25236308 KWMZLEMXPXBOKH-UHFFFAOYSA-N 409.467 3.192 0 40 HGAB COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)NCc1ccncc1)C(=O)OC2 62001703 ZLQYPURVBCJXSO-LNKIKWGQSA-N 410.470 3.360 0 40 HGAB biogenic COc1ccc(CCCN(C)C(=O)c2cc(S(C)(=O)=O)ccc2C)cc1OC 12887338 LVXMDARKJINJJA-UHFFFAOYSA-N 405.516 3.121 0 40 HGAB CCOCn1cc(NC(=O)c2cc(-c3ccc(OC)cc3)nc3c2cnn3C)cn1 36613522 DYTOERFQXZXMDL-UHFFFAOYSA-N 406.446 3.087 0 40 HGAB O=S(=O)(c1ccccc1)N1CCN(Cc2ccc(F)cc2Br)CC1 25283384 KMLLSEOSDZJECV-UHFFFAOYSA-N 413.312 3.095 0 40 HGAB COc1cc(/C=C2\SC(=O)N(CC(=O)N(C(C)C)C(C)C)C2=O)cc(OC)c1O 409207954 AAGWZHPOCPUJOS-SXGWCWSVSA-N 422.503 3.091 0 40 HGAB COc1ccc(CCC2CCN(S(=O)(=O)c3ccsc3C(=O)O)CC2)cc1 12923713 AFOXTQZVEAKKMM-UHFFFAOYSA-N 409.529 3.488 0 40 HGAB C[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CCc2ccc(Cl)cc2Cl)C1=O 12985424 HYLQWFRULIWMKS-IBGZPJMESA-N 406.269 3.424 0 40 HGAB O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Oc1ccc(C(=O)c2ccc(F)cc2)cc1 13148961 GLXKJGQEJXIEIM-RTBURBONSA-N 409.413 3.137 0 40 HGAB CCOc1ccc(C(=O)N(Cc2ccc(CC)cc2)[C@H]2CCS(=O)(=O)C2)cc1 4183166 WMSHLYWXQWIJDO-FQEVSTJZSA-N 401.528 3.477 0 40 HGAB COC(=O)[C@@](NC(=O)c1ccc(Cl)cc1)(Nc1cccc(C)n1)C(F)(F)F 13785999 MQYMDCHFUWBKBU-INIZCTEOSA-N 401.772 3.317 0 40 HGAB Cc1cccc(-n2nnnc2SCC(=O)N[C@H](c2nc3ccccc3[nH]2)C(C)C)c1 5208191 LFLWHKGHZZOEHZ-IBGZPJMESA-N 421.530 3.453 0 40 HGAB CCCCN(C)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccccc2F)cc1 7054511 NQFYQNNGIHHERL-UHFFFAOYSA-N 400.497 3.047 0 40 HGAB COc1ccc(-c2nnc([C@@H](C)OC(=O)CCS(=O)(=O)c3ccccc3)o2)cc1 7317822 OQYRQKNUXBWPJJ-CQSZACIVSA-N 416.455 3.213 0 40 HGAB C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)Nc1nc3ccccc3s1)C2=O 7767237 IPNJZXKPBYIOMT-FKIZINRSSA-N 400.504 3.372 0 40 HGAB Cc1ccc(-c2cc(-c3nnc(SCC(=O)N(C)C)n3N)c3ccccc3n2)cc1 7813746 KPMOUWHSHXNGMZ-UHFFFAOYSA-N 418.526 3.363 0 40 HGAB CCOC(=O)N1CCN(C(=O)c2c(C)nn(Cc3ccccc3Cl)c2C)CC1 7980842 CUMCUQXPNSIBGW-UHFFFAOYSA-N 404.898 3.116 0 40 HGAB Cc1cccc(N([C@H](C)C(=O)NCC(F)(F)F)S(=O)(=O)c2ccccc2)c1 16698940 LLDJTIILQWFCDP-CQSZACIVSA-N 400.422 3.257 0 40 HGAB CC1CCC2(CC1)NC(=O)N(NC(=O)c1ccc(C(=O)c3ccccc3)cc1)C2=O 8133223 STEIVTKXZYFHCL-UHFFFAOYSA-N 405.454 3.063 0 40 HGAB CCN(CC)C(=O)[C@H](c1ccccc1)S(=O)(=O)Cc1nc2ccccc2nc1C 84765780 YWQYMABWDYUMRL-NRFANRHFSA-N 411.527 3.463 0 40 HGAB Cc1n[nH]c(-c2cccc(CNS(=O)(=O)c3cc(Cl)c(N)c(Cl)c3)c2)n1 95442480 LDKJWJJACLQMHA-UHFFFAOYSA-N 412.302 3.148 0 40 HGAB CCN(c1ccc(C(=O)N[C@@H](C)COC)cc1)S(=O)(=O)c1ccc(SC)cc1 408701976 ILFLPKMUAZYQCC-HNNXBMFYSA-N 422.572 3.388 0 40 HGAB COC(=O)CN1C(=O)N/C(=C\c2ccc(-c3ccc(C)cc3Br)o2)C1=O 408548649 KLAKEQVKKKDOCI-ZSOIEALJSA-N 419.231 3.083 0 40 HGAB CC[C@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)OCC(=O)c1ccc(F)cc1 409004168 WTOQBAHTBQYQKI-YWZLYKJASA-N 421.490 3.253 0 40 HGAB O=C(CSc1nnc(-c2ccccc2O)n1-c1ccccc1)NC[C@H]1CCCO1 408599862 MZEZUANRFIYZDX-MRXNPFEDSA-N 410.499 3.027 0 40 HGAB Fc1ccc(CN2CCO[C@H](Cn3nnc4c(Nc5ccccc5)ncnc43)C2)cc1 306129364 IBIZQYBUGPVOIO-IBGZPJMESA-N 419.464 3.005 0 40 HGAB CC[C@H](NC(=O)[C@H]1CN(S(=O)(=O)CC)c2ccccc2O1)c1ccc(C)cc1C 218794921 XGCMXWDJZROYHI-GHTZIAJQSA-N 416.543 3.488 0 40 HGAB CC(C)CCn1cc(C(=O)NCCc2nnc3ccccn23)c2ccccc2c1=O 72406405 OYBXJXMDHYJOEA-UHFFFAOYSA-N 403.486 3.063 0 40 HGAB COc1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)c(OC)c1 219748041 PGWHOMQIRGAQCV-KRWDZBQOSA-N 424.906 3.149 0 40 HGAB CSc1nnc(NC(=O)CCCN(c2ccc(Cl)cc2)S(C)(=O)=O)s1 223080410 ZBBTZCQSINOYOV-UHFFFAOYSA-N 420.969 3.098 0 40 HGAB CNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CSCc1ccc(OC)cc1 222827997 XKGNZJXJQWFZAH-INIZCTEOSA-N 416.543 3.100 0 40 HGAB Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(Nc4ccc(C)cc4)[nH]c(=O)c32)cc1 40400361 VUDDODLSCOCDNI-MRXNPFEDSA-N 403.442 3.195 0 40 HGAB COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NCc2ccncc2)cc1OC 223324248 WMFPMVPCHPQHSC-AQTBWJFISA-N 423.494 3.248 0 40 HGAB COc1cccc2sc(NC(=O)c3cc(S(=O)(=O)N4CCCC4)c(C)o3)nc12 40131064 UIJFYRYFNGRTER-UHFFFAOYSA-N 421.500 3.243 0 40 HGAB CCc1ccccc1NS(=O)(=O)c1nnc(NC(=O)c2ccc(C)cc2)s1 224099812 HSRKWZNADCNUME-UHFFFAOYSA-N 402.501 3.462 0 40 HGAB Cc1cnc(OC2CCN(C(=O)Cc3ccc(F)cc3Br)CC2)nc1 1583151385 LDUXGVYEARKBDT-UHFFFAOYSA-N 408.271 3.299 0 40 HGAB CCN(CC)C(=O)N1CCC[C@@H](C(=O)N[C@@H](C)c2cc(OC)c(OC)cc2C)C1 40134329 ZGGIIZDIUFULGX-DLBZAZTESA-N 405.539 3.363 0 40 HGAB C[C@@H](C(=O)NCc1ccccn1)N(Cc1ccccc1)C(=O)COc1ccccc1 222774841 LSYYXWVKBSIPOX-IBGZPJMESA-N 403.482 3.194 0 40 HGAB CC[C@@H](C(=O)NCCOc1cc(C)cc(C)c1)N(c1ccccc1F)S(C)(=O)=O 224101550 QZPHFAPJHMQKHZ-IBGZPJMESA-N 422.522 3.182 0 40 HGAB CC[C@@H](NC(=O)[C@@H]1CCN(S(C)(=O)=O)c2ccccc2O1)c1ccc(C)cc1C 44856746 SOFRKOKZSNSEJQ-NQIIRXRSSA-N 416.543 3.488 0 40 HGAB C[C@]1(c2ccc(NC(=O)c3ccc4[nH]c5c(c4c3)CCCC5)cc2)NC(=O)NC1=O 46408977 ZTBLMGARKKTUFL-HSZRJFAPSA-N 402.454 3.354 0 40 HGAB CC[C@@H](C(=O)N[C@@H](C)c1ccccc1OC)N(c1ccc(C)cc1)S(C)(=O)=O 224715375 ZWOUPTGQFRSZEY-LPHOPBHVSA-N 404.532 3.426 0 40 HGAB Cn1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c1 225538873 NROADPWAPPWFMQ-RTWAWAEBSA-N 405.527 3.421 0 40 HGAB CC[C@H](C(=O)NCCCc1ccc(C)cc1)N(c1ccccc1F)S(C)(=O)=O 220602586 HZVKTTAUPBVRSI-LJQANCHMSA-N 406.523 3.428 0 40 HGAB CCc1ccc(CC)c(CNC(=O)CN(C)S(=O)(=O)c2ccc(SC)cc2)c1 224893089 TWIJDVYSQQXTAM-UHFFFAOYSA-N 420.600 3.470 0 40 HGAB COc1cccc(OCCNC(=O)c2ccc(C)cc2I)c1 225030053 KLOSMWQILONEBW-UHFFFAOYSA-N 411.239 3.417 0 40 HGAB CC(C)(C(=O)N1CC[C@@]2(COCc3cncnc32)C1)c1ccc(Br)cc1 248167678 PJSDPWRBBFDKRG-FQEVSTJZSA-N 416.319 3.217 0 40 HGAB CC(C)(C)CC(=O)N[C@H]1[C@H](c2cccs2)N(C(=O)C2CCOCC2)CC[C@@]1(C)O 604383100 ISCIEGLRWZUHTQ-CNNODRBYSA-N 422.591 3.120 0 40 HGAB biogenic,in-vitro Cc1cccnc1Nc1cncc([C@H]2CCCN(C(=O)CN3CCCCCC3=O)C2)n1 257299540 RQLNAGCQKXUHST-SFHVURJKSA-N 422.533 3.032 0 40 HGAB COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N2C[C@H](OC)C[C@H]2C(=O)O)cc1 540786812 UJCKYIZVXWITNU-UTKZUKDTSA-N 422.481 3.477 0 40 HGAB O=S1(=O)CC[C@@H](N(c2ccccc2)S(=O)(=O)c2ccc(Cl)c(Cl)c2)C1 575424840 OOLSMWFAUIMTFS-CYBMUJFWSA-N 420.339 3.376 0 40 HGAB CC(=O)CC(=O)N[C@H]1CC[C@H](C[C@@H]2CC[C@H](NC(=O)CC(C)=O)[C@H](C)C2)C[C@@H]1C 5529584 DLAADOGEGQKDFC-PCVBSDHTSA-N 406.567 3.177 0 40 HGAB O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 14586173 DZIILUYRVAYFNN-VXGBXAGGSA-N 405.426 3.202 0 40 HGAB CCOC(=O)C1=C(CN(C)[C@H](c2ccccc2)c2ccc(F)cc2)NC(=O)N[C@@H]1C 14814185 GOHLCEDCABWBBI-QVKFZJNVSA-N 411.477 3.365 0 40 HGAB Cc1ccc(C(C)C)c(OCC(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)c1 15718137 KFTWOOMHXKXTQL-UHFFFAOYSA-N 416.543 3.337 0 40 HGAB CCCCCC(=O)NC(=S)NCc1ccc(-c2nn3c(CC)nnc3s2)cc1 17090836 SEUQRXRXYDELDO-UHFFFAOYSA-N 416.576 3.486 0 40 HGAB Cc1ccc(O[C@@H](C)C(=O)N2CC[C@@H](c3cc(=O)[nH]c(-c4ccncc4)n3)C2)cc1C 19214120 LDEHMACBURTFMO-PKOBYXMFSA-N 418.497 3.232 0 40 HGAB CCC(CC)C(=O)N1CCO[C@@](Cc2ccc(-c3ccncc3)cc2)(C(=O)N(C)C)C1 19500215 KPRMWMKUHZYJLX-RUZDIDTESA-N 423.557 3.413 0 40 HGAB COc1ccc(CCC(=O)N2C[C@@H](c3cccc(F)c3)[C@@]3(CCCC(=O)N3)C2)cc1 19554596 WIUVQECPDRCGJL-XUZZJYLKSA-N 410.489 3.432 0 40 HGAB COc1cccc(-c2nnn(CC(=O)Nc3ncc(Cc4ccccc4)s3)n2)c1 19566838 AGEHOHCOUVRBHB-UHFFFAOYSA-N 406.471 3.035 0 40 HGAB Cc1nc2[nH]c(C)c(CCC(=O)Nc3cccc(-c4cccc(F)c4)c3)c(=O)n2n1 19577123 UMKITKGNUNYXBH-UHFFFAOYSA-N 405.433 3.412 0 40 HGAB Cc1nnsc1C(=O)N1CCC[C@@H](c2ncccc2C(=O)NCc2ccccc2)C1 19709393 FTPJSDHFZJOSOV-QGZVFWFLSA-N 421.526 3.191 0 40 HGAB CNc1cc(CN(C)C(=O)CCCc2ccc(F)c(C)c2)nc([C@@H]2CCCNC2)n1 19709591 UKCKXBQQHCWUSP-GOSISDBHSA-N 413.541 3.414 0 40 HGAB O=C(CCS(=O)(=O)c1cccc2cccnc12)Nc1cccc(-n2cccn2)c1 19718237 HQUSRXCQHLFBDP-UHFFFAOYSA-N 406.467 3.223 0 40 HGAB C[C@@H](OC(=O)/C=C/c1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc(C(N)=O)cc1 5448006 GRLMOSWJSOEEQF-KBVBDRTLSA-N 406.360 3.388 0 40 HGAB C=CCc1cc(/C=C(/C#N)C(=O)NC(N)=O)cc(OC)c1OCc1ccc(C)cc1 8372993 XEPGEEKWSVMHBY-ODLFYWEKSA-N 405.454 3.413 0 40 HGAB Cc1nccn1CC(=O)N1CCC[C@]2(CCCCCOc3ccccc3C(=O)NC2)C1 643559545 RAFASBIZAVYLDM-DEOSSOPVSA-N 424.545 3.183 0 40 HGAB CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCCN3C(=O)Cc3nonc3C)cc2N1 19520718 ZYGBXDLYKDWGTB-KCPJHIHWSA-N 412.416 3.178 0 40 HGAB COc1cccc(OC)c1C(=O)N1CCN(C(=O)c2cc3cc(C)ccc3n2C)CC1 19655357 OHSQNMJPCWDZBK-UHFFFAOYSA-N 421.497 3.102 0 40 HGAB Cc1ccc2c(NC(=O)COc3ccc(S(=O)(=O)N(C)C)cc3)c(C)ccc2n1 19717627 AYUOIYKZHFDJTK-UHFFFAOYSA-N 413.499 3.119 0 40 HGAB Cc1cc(N2CCCC2)nc(N2CCN(c3ncc(C(F)(F)F)cc3F)CC2)n1 1889128473 GSZXHZCTOGCQGQ-UHFFFAOYSA-N 410.419 3.265 0 40 HGAB Cc1noc(C)c1S(=O)(=O)N1CCC(c2ccc3cc(Cl)cnc3n2)CC1 1891528908 JJPFZGQWEYLCBD-UHFFFAOYSA-N 406.895 3.456 0 40 HGAB CC(C)Oc1ccc(C(=O)N2CCC(Cn3cnc4cc(F)ccc4c3=O)CC2)cn1 1848604409 HADPPPPKWWOBOX-UHFFFAOYSA-N 424.476 3.270 0 40 HGAB C[C@H]1CCC[C@H](C)N1C(=O)[C@@H](C)N1CCN(CC(=O)Nc2ccccc2Cl)CC1 22783007 VYYSZMUBFPPVGD-OKZBNKHCSA-N 420.985 3.074 0 40 HGAB CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCc3cc(C)no3)o2)c1 32174033 WSBDANIIGZQKHY-UHFFFAOYSA-N 408.505 3.356 0 40 HGAB COc1ccc(CCNC(=O)/C(=C/c2cccnc2)NC(=O)c2ccccc2)cc1 4575551 OIDXSLPVWBTSOA-JWGURIENSA-N 401.466 3.220 0 40 HGAB biogenic COc1cccc(N2C[C@@H](NC(=O)Nc3ccc(Br)cc3)CC2=O)c1 5189609 BQFHEEYUGAAOKN-AWEZNQCLSA-N 404.264 3.385 0 40 HGAB Cc1cc(C)cc(NC(=O)CSc2nc(=O)n(CCN(C)C)c3c2CCCC3)c1 5254518 OUEFRHQJDZZPAY-UHFFFAOYSA-N 414.575 3.031 0 40 HGAB O=C(COc1ccccc1)Nc1nnc(SCC(=O)Nc2ccccc2F)s1 9365817 IZDAGACNHFNRPA-UHFFFAOYSA-N 418.475 3.426 0 40 HGAB COc1cn(CC(=O)Nc2ccc(C)cc2C)c(CSc2ncccn2)cc1=O 10254882 JJTFJJTVEXKFHR-UHFFFAOYSA-N 410.499 3.195 0 40 HGAB O=C(NCCCn1nc(-c2ccccc2)ccc1=O)c1ccc(Br)o1 11738318 UQYDGUYUDJUNLS-UHFFFAOYSA-N 402.248 3.086 0 40 HGAB Cc1cc(=O)[nH]c(-n2nc(-c3ccco3)cc2NC(=O)c2cc(-c3ccco3)on2)n1 12006573 SVMXABLGHSLXAK-UHFFFAOYSA-N 418.369 3.024 0 40 HGAB CN(C)c1cccc(C(=O)N2CCC[C@H](COc3ncc(Br)cn3)C2)c1 1775968236 UJKARRSWJBSPCT-AWEZNQCLSA-N 419.323 3.236 0 40 HGAB CCCCCn1c(=O)c2ccccc2n(Cc2nc(-c3ccc(OC)cc3)no2)c1=O 49002816 UFHHERWRUPSQCA-UHFFFAOYSA-N 420.469 3.460 0 40 HGAB Cc1ccc(CNC(=O)Cn2cccc(-c3nc(-c4ccc(F)cc4)no3)c2=O)cc1 49002487 CVKLVORZSFCTNM-UHFFFAOYSA-N 418.428 3.329 0 40 HGAB Cn1ccnc1SCc1cc(=O)c(OC(=O)c2ccc(Br)o2)co1 9712949 QSAURKIYWPHHBI-UHFFFAOYSA-N 411.233 3.240 0 40 HGAB O=c1/c(=C/c2cccc(F)c2)sc2nc(-c3ccccc3Br)nn12 2703299 DDBIPLDADGGBLG-ZROIWOOFSA-N 402.248 3.267 0 40 HGAB Cc1ccc(C)c(-c2cc3c(=O)n(CC(=O)N[C@@H](C)c4ccccc4)ncn3n2)c1 51317089 GWVCELAVTHJKJB-KRWDZBQOSA-N 401.470 3.052 0 40 HGAB Cc1ccc(C)c(C(=O)COC(=O)[C@H](C(C)C)N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)c1 101154396 LFVFIRCVBDCTAY-WYZBVHOTSA-N 411.498 3.085 0 40 HGAB O=C(Cn1ccc2cc(Br)ccc21)N[C@@H](Cc1ccccc1)C(=O)O 20763308 IANZKXBQDGFICS-INIZCTEOSA-N 401.260 3.216 0 40 HGAB biogenic Cc1cccc2c(=O)n(CCC(=O)Nc3cccc(OC[C@@H]4CCCO4)c3)cnc12 32776663 CLRVYFFWQNJGDU-IBGZPJMESA-N 407.470 3.292 0 40 HGAB Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3F)cc2)n1 874972 FKNZGFWECTWAOY-UHFFFAOYSA-N 400.435 3.286 0 40 HGAB CCC(C)(C)n1nnnc1[C@@H](c1cc2cc(OC)ccc2[nH]c1=O)N1CCC(C)CC1 910863 LETANXVINWAUPG-HXUWFJFHSA-N 424.549 3.490 0 40 HGAB O=c1cccc2n1C[C@H]1C[C@@H]2CN(C[C@H](O)Cn2c3ccccc3c3ccccc32)C1 2147870 GLQDHYZYYYRCEH-ZCNNSNEGSA-N 413.521 3.436 0 40 HGAB biogenic CCc1nnc(NC(=O)CCC(=O)N2CCN(c3cc(Cl)ccc3C)CC2)s1 2210372 IAMJQAWDHJOHOW-UHFFFAOYSA-N 421.954 3.130 0 40 HGAB COc1ccccc1Cn1c(S)nc2cc(C(=O)N3CCCCC3)ccc2c1=O 3043747 MRLOQAHVFHRWDA-UHFFFAOYSA-N 409.511 3.368 0 40 HGAB CCSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1[C@H](C)CC 3312883 VKJWACLIMKUFQB-CQSZACIVSA-N 410.565 3.049 0 40 HGAB O=C(CSc1nnc(NC(=O)c2ccccc2F)s1)NCc1cccs1 4905727 UVEWBGOLMPZKQU-UHFFFAOYSA-N 408.505 3.400 0 40 HGAB CS(=O)(=O)N(CCCC(=O)N1CCc2ccccc2C1)c1cccc(Cl)c1 4986284 ZISSHPHGLJVFOX-UHFFFAOYSA-N 406.935 3.471 0 40 HGAB CCn1c(SCC(=O)c2ccc(C)cc2C)nc2cc(S(N)(=O)=O)ccc21 5083688 HVQWAZWEXBXFNV-UHFFFAOYSA-N 403.529 3.295 0 40 HGAB COc1ccc(S(=O)(=O)Nc2ccc(Cc3ccncc3)cc2)cc1NC(C)=O 5262006 OKMMMQPXTGNTGO-UHFFFAOYSA-N 411.483 3.440 0 40 HGAB Nc1c(/C=C\c2cc3cc(C4=NCCN4)ccc3o2)[nH]c2cc(C3=NCCN3)ccc12 5518854 UPLQHBHGZYJTMH-HYXAFXHYSA-N 410.481 3.366 0 40 HGAB in-vitro CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)COc2ccccc2OC)c1C 6027740 LZTSSIXRHUSSGJ-CQSZACIVSA-N 403.431 3.010 0 40 HGAB O=C(/C=C/c1ccc2ccccc2n1)N(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 6648631 CGIGSGJSEYZBLS-JNCYCUAHSA-N 406.507 3.464 0 40 HGAB COc1cc2oc(=O)c(CC(=O)NC[C@@H](O)c3ccccc3)c(C)c2cc1Cl 6659792 MIZIWDYLQLZVIO-QGZVFWFLSA-N 401.846 3.156 0 40 HGAB O=C(CN1C(=O)S/C(=C\c2ccccc2Cl)C1=O)NCCc1ccc(O)cc1 6660388 XVTXOQZPWVXKFL-BOPFTXTBSA-N 416.886 3.441 0 40 HGAB C[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 6929177 HGJSITNMPSVKPR-HNNXBMFYSA-N 406.479 3.406 0 40 HGAB COc1ccc(CN(C)S(=O)(=O)c2ccc(Br)cc2)cc1OC 7218453 JTESDMHGFLDCJE-UHFFFAOYSA-N 400.294 3.287 0 40 HGAB CCOC(=O)c1sc2ncn(CC(=O)N(CC)C3=CCCCC3)c(=O)c2c1C 7439220 YVHSFFMCKYHMPO-UHFFFAOYSA-N 403.504 3.250 0 40 HGAB CCSc1nnc(NC(=O)[C@H](CCSC)NC(=O)c2cccc(C)c2)s1 7814185 RPNGAQRKELROHD-ZDUSSCGKSA-N 410.590 3.449 0 40 HGAB C[C@H](NS(=O)(=O)c1ccc(C2CCCCC2)cc1)c1ccc(S(N)(=O)=O)cc1 7985658 DVGWHVGINPHMAE-HNNXBMFYSA-N 422.572 3.421 0 40 HGAB Cc1ccc(CN2C[C@H](C(=O)N(C)CC(=O)Nc3c(C)cc(C)cc3C)CC2=O)cc1 8087343 ORQXTZAJINCUFP-OAQYLSRUSA-N 421.541 3.366 0 40 HGAB COc1ccccc1Nc1nc(N)nc(CSc2nnc(C3CC3)n2C2CC2)n1 8189406 CSTSAMLWNDGHRM-UHFFFAOYSA-N 410.507 3.302 0 40 HGAB Cc1ccc(NC(=O)c2cc(S(N)(=O)=O)ccc2Br)cc1Cl 8288013 LBYZPSPZQLYIGI-UHFFFAOYSA-N 403.685 3.311 0 40 HGAB O=C1CCCN1c1ccc(S(=O)(=O)N(Cc2cccs2)C[C@@H]2CCCO2)cc1 8327281 VJFOFYYXQGGIOV-KRWDZBQOSA-N 420.556 3.245 0 40 HGAB CCCCn1c(=O)[nH]c(=O)c2c1nc(COc1ccc(F)cc1Cl)n2CCC 8424633 BBQAGLYAKGQBNO-UHFFFAOYSA-N 408.861 3.468 0 40 HGAB CNC(=O)[C@@H]1CN(C(=O)c2cccc(NC(=O)c3cccs3)c2)c2ccccc2O1 8861434 OADJPFSRKWMQJS-SFHVURJKSA-N 421.478 3.154 0 40 HGAB C[C@H]1C[C@H]1c1ccc(/C=C/C(=O)N2CCN(S(=O)(=O)c3cccs3)CC2)o1 8982443 KGKFFHNRLUAVSU-ZCGHOXCVSA-N 406.529 3.011 0 40 HGAB O=C(COc1ccccc1P(=O)(O)O)N(Cc1ccccc1)C[C@H]1CC=CCC1 9183660 XRGNPSFFHAPXQZ-IBGZPJMESA-N 415.426 3.254 0 40 HGAB COC(=O)c1ccc2c(=O)[nH]c(CSc3ncnc4sc5c(c34)CCC5)nc2c1 9586766 XLHRPMFGEWZWOK-UHFFFAOYSA-N 424.507 3.495 0 40 HGAB CN(C[C@H]1COc2ccccc2O1)C(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1 10214805 UCOCRBQMHLYPHS-HKUYNNGSSA-N 409.486 3.229 0 40 HGAB CCn1c(C)cc(O)c(C(c2ccc(OC)cc2)c2c(O)cc(C)n(CC)c2=O)c1=O 10217735 BAPCCZHQEBIKPG-UHFFFAOYSA-N 424.497 3.267 0 40 HGAB CC(C)OCCCNC(=O)c1ccc2c(c1)C[C@@H](C)N2S(=O)(=O)c1ccccc1 10326213 OBLYEKADRLRDGC-QGZVFWFLSA-N 416.543 3.371 0 40 HGAB C[C@H](Oc1ccccc1Cl)C(=O)Nc1ccccc1C(=O)N1CCN(C)CC1 12137654 XSGHPAGURVSXOQ-HNNXBMFYSA-N 401.894 3.134 0 40 HGAB CC(=O)N1C(=O)[C@]2(SCC(=O)N2c2ccc(Br)cc2)c2ccccc21 12364170 HDSUYIRGYJBWDA-GOSISDBHSA-N 417.284 3.275 0 40 HGAB COc1cc([C@@H]2NC(N)=Nc3nc4ccccc4n32)ccc1OCc1c(C)noc1C 12525586 BEFFKADYEVKAFE-HXUWFJFHSA-N 418.457 3.325 0 40 HGAB COC(=O)c1ccc2c(=O)n(C[C@H]3CCCO3)c(SCc3cccnc3)nc2c1 12538112 KJHDIHRSFGSMIK-MRXNPFEDSA-N 411.483 3.049 0 40 HGAB CCOc1cc2c(cc1NS(=O)(=O)c1ccc(OC)c(NC(C)=O)c1)O[C@@H](C)C2 12560918 IHKNYGQNQLOQDZ-LBPRGKRZSA-N 420.487 3.177 0 40 HGAB O=C(c1ccccc1F)N1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1 12737642 PXVIOAZRWQFWDM-UHFFFAOYSA-N 400.841 3.487 0 40 HGAB CSc1ccc(C(=O)Cn2nc(-c3ccc(F)cc3)oc2=O)cc1NC(C)=O 12784008 VQNYJQDRFZIUMN-UHFFFAOYSA-N 401.419 3.206 0 40 HGAB Cc1ccc(SCCNC(=O)[C@@H]2CS[C@@H](Cc3ccc(F)cc3)C(=O)N2)cc1 12796421 WAGPNPFTXBGNDC-OALUTQOASA-N 418.559 3.185 0 40 HGAB Cc1ccc(SCCNC(=O)[C@@H]2CS[C@H](Cc3ccc(F)cc3)C(=O)N2)cc1 12796427 WAGPNPFTXBGNDC-RBUKOAKNSA-N 418.559 3.185 0 40 HGAB CCc1ccccc1NC(=O)CN(C)C(=O)Cn1c(S)nnc1-c1cccc(C)c1 12997448 UMFVGEOVQQMBGA-UHFFFAOYSA-N 423.542 3.202 0 40 HGAB COc1ccc(-c2noc(COC(=O)C3C[C@@H]4CCC[C@H](C3)C4=O)n2)c(OC)c1 13098445 FBGATEXFHHQNFX-PBWFPOADSA-N 400.431 3.192 0 40 HGAB O=c1cc(CSc2ccc(Cl)cc2)nc(N2CCN(c3ccccn3)CC2)[nH]1 13611878 XGQABRQISPXKJU-UHFFFAOYSA-N 413.934 3.437 0 40 HGAB Cn1c(CCCNC(=O)[C@H]2CCCO2)nc2cc(NC(=O)c3ccccc3)ccc21 13722875 QVQMQYZHBNTPKV-HXUWFJFHSA-N 406.486 3.053 0 40 HGAB C[C@@H]1CCc2c(sc3nc(COC(=O)c4cc(=O)[nH]c5ccccc45)[nH]c(=O)c23)C1 15587175 BAEHDAVKTHGYNL-LLVKDONJSA-N 421.478 3.308 0 40 HGAB COc1ccc(/C=C/C(=O)NC(=S)Nc2ccc(CN3CCOCC3)cc2)cc1 17088951 IOPRLILHPBHKFV-IZZDOVSWSA-N 411.527 3.054 0 40 HGAB O=C(c1ccco1)N1CCN([C@@H](c2ccccc2)c2nnnn2C2CCCCC2)CC1 19369594 KRXNDFRJEBEHQJ-NRFANRHFSA-N 420.517 3.319 0 40 HGAB O=C(Cc1ccccc1)N[C@@H](c1ccccn1)[C@@H]1CCCN(C(=O)c2cnsc2)C1 19370340 MKEIJQNMPZBSBF-XMSQKQJNSA-N 420.538 3.491 0 40 HGAB CCN1CCN(C(=O)c2cn(C)cn2)C[C@H](Cc2ccc(-c3ccccc3)cc2)C1=O 19527335 RYBGIIFIQIXNNG-QFIPXVFZSA-N 416.525 3.250 0 40 HGAB O=C(CSc1nc(-c2ccccc2)c2ccccc2n1)NCCCN1CCOCC1 19681447 CLDVKTVRFVJWLZ-UHFFFAOYSA-N 422.554 3.227 0 40 HGAB Cc1cccn2c(=O)c(C(=O)Nc3nnc([C@@H](C)Oc4ccccc4)s3)cnc12 19714687 LWLZCSDGJIAYBE-CYBMUJFWSA-N 407.455 3.247 0 40 HGAB COc1ccc(CC(=O)Nc2ccc3c(c2)CCN3C(=O)c2cccnc2)cc1OC 19819294 JXEAXFPFVCQWJC-UHFFFAOYSA-N 417.465 3.483 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)Nc2ccc(F)c(F)c2)c(C)c1 20022754 HDNPPVFZZCKTLH-UHFFFAOYSA-N 412.458 3.321 0 40 HGAB Cc1ccc([C@@H](c2nnnn2C[C@@H]2CCCO2)N2CCN(C3CCCCC3)CC2)cc1 20140651 DRYWWSNSECVKDS-GOTSBHOMSA-N 424.593 3.200 0 40 HGAB CN(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O 20451456 RFEJPYXEAUARNP-UHFFFAOYSA-N 401.315 3.418 0 40 HGAB O=C(COCc1cc(-c2ccc3c(c2)OCO3)on1)NCCc1c[nH]c2ccccc12 20533803 SHLVFXXCHYRMHF-UHFFFAOYSA-N 419.437 3.427 0 40 HGAB Cc1ccc(C)c(N(CC(=O)N[C@@H]2CCCc3ccccc32)S(=O)(=O)N(C)C)c1 22517728 ILSJWYZSWHHBHO-HXUWFJFHSA-N 415.559 3.110 0 40 HGAB COc1ccc(Cl)cc1NC(=O)C(=O)NCC1CCN(Cc2ccccc2)CC1 23127453 AKSJAWDYVMPFBR-UHFFFAOYSA-N 415.921 3.316 0 40 HGAB Cc1ccc(C(=O)Nc2ccccc2NS(C)(=O)=O)cc1NC(=O)c1ccco1 24882948 UICPXMWIWIJKBW-UHFFFAOYSA-N 413.455 3.464 0 40 HGAB CS(=O)(=O)c1cccc(NC(=O)c2ccc(=O)n(Cc3ccccc3Cl)c2)c1 25889387 SNLLRRMFOWBNSR-UHFFFAOYSA-N 416.886 3.206 0 40 HGAB CC[C@@H](C)NC(=O)c1ccccc1NS(=O)(=O)c1cc(C(=O)OC)ccc1Cl 26533763 WYWGEEHWELOFHA-GFCCVEGCSA-N 424.906 3.456 0 40 HGAB Cc1cc(C(=O)N2CCN(C(=O)c3ccccc3F)CC2)c(C)n1Cc1ccco1 27829868 AWAOAEYYBZYHKD-UHFFFAOYSA-N 409.461 3.484 0 40 HGAB O=C(NCc1cccnc1N1CCOCC1)c1ccccc1C(=O)c1cccs1 30311042 BUGPKVZXOGHVQF-UHFFFAOYSA-N 407.495 3.141 0 40 HGAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2ccc(OC)cc2)cc1C 30424796 YUXNWGYKXVDKQD-UHFFFAOYSA-N 406.504 3.052 0 40 HGAB CN(Cc1ccc(C(=O)NC2CC2)cc1)C(=O)CCc1nc(-c2ccccc2)no1 31194504 VTLJVOPITHBXIV-UHFFFAOYSA-N 404.470 3.220 0 40 HGAB Cc1nn(C[C@@H](O)c2ccc(F)cc2)c(C)c1S(=O)(=O)N1CCc2ccccc21 31561152 KTCWCVSLCATFOE-HXUWFJFHSA-N 415.490 3.124 0 40 HGAB COc1ccc(-c2noc(-c3ccc(OCC(=O)NC[C@@H]4CCCO4)cc3)n2)cc1 32578843 CCZPYJHQPYPXNN-IBGZPJMESA-N 409.442 3.086 0 40 HGAB CCN(Cc1ccccc1)C(=O)COC(=O)c1[nH]c(C)c(C(=O)OC(C)C)c1C 32672207 RXKNZVGEBSJDPN-UHFFFAOYSA-N 400.475 3.402 0 40 HGAB CC(C)[C@@H](NC(=O)c1ccc(F)cc1)C(=O)N1CCC(c2nnc3ccccn23)CC1 32744712 JASZWNGCUOCJMO-HXUWFJFHSA-N 423.492 3.029 0 40 HGAB O=C(NCCN1CCOCC1)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 34668603 HMQWDDZBTLCNIW-UHFFFAOYSA-N 421.585 3.203 0 40 HGAB COC(=O)c1ccc(CN2C(=O)S/C(=C/c3cc(OC)c4c(c3)OCO4)C2=O)o1 35225245 UADJXIPSVPVTCO-VIZOYTHASA-N 417.395 3.040 0 40 HGAB O=C(c1cnn2cccnc12)N1CCN(Cc2ccc(-c3ccccc3)s2)CC1 40069405 YEOAAFSKUPPSDI-UHFFFAOYSA-N 403.511 3.416 0 40 HGAB O=C1C[C@H](C(=O)NC2CCCCC2)c2c(nc(Nc3ccc(Cl)cc3)[nH]c2=O)N1 40399331 IJZCPCXIVNPKNC-AWEZNQCLSA-N 415.881 3.042 0 40 HGAB CC1=C[C@@]2(Nc3cc(-c4ccccc4)cc(Br)c3O2)C(C(N)=O)=C(N)O1 40546328 DQVIARHUKIQDNX-IBGZPJMESA-N 414.259 3.206 0 40 HGAB COc1ccccc1N1CCN(C(=O)Nc2ccc(N3CCOCC3)cc2C)CC1 44357717 AMGHNUDMSBBERW-UHFFFAOYSA-N 410.518 3.194 0 40 HGAB O=C(COc1ccccc1)NC[C@@H](c1ccco1)N1CCN(c2ccccc2F)CC1 56945735 RAESDTULQDNSBP-QFIPXVFZSA-N 423.488 3.477 0 40 HGAB Cc1ccc2c(CC(=O)N3CCC(NC(=O)c4ccc(F)cc4)CC3)cc(=O)oc2c1 58130716 XHXXEFKAIPLPCZ-UHFFFAOYSA-N 422.456 3.204 0 40 HGAB CCC1(CC)NC(=O)N(CC(=O)Nc2ccc(-c3cn4cccc(C)c4n3)cc2)C1=O 71851835 DPCZDPJMEVPDHU-UHFFFAOYSA-N 419.485 3.359 0 40 HGAB O=C1C[C@H](C(=O)N2CCOc3cccc(F)c32)CN1c1ccccc1Br 79103197 QDJIIFPKAXDYBN-LBPRGKRZSA-N 419.250 3.367 0 40 HGAB Cc1csc([C@](O)(CC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)C(F)(F)F)n1 84268121 XKQAFJWPPUPPEW-WMLDXEAASA-N 418.412 3.331 0 40 HGAB COC(=O)[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)c2sc(C)cc2OC)CC1 89582246 SQVCTHWZVITSBF-QGZVFWFLSA-N 422.934 3.391 0 40 HGAB COc1ccc2c(C)c(CCC(=O)N3C[C@@H](C)NC(=O)c4ccccc43)c(=O)oc2c1 95458315 IUCUOBUKGJFXOF-CQSZACIVSA-N 420.465 3.208 0 40 HGAB CCn1c(=O)[nH]c2cc(-c3nc(-c4cccc(Br)c4)no3)ccc2c1=O 96320193 ABUNVKXNDQNCJQ-UHFFFAOYSA-N 413.231 3.189 0 40 HGAB CCc1ccc(N(CN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@@H]3C2=O)C(=O)C(F)(F)F)cc1 100395424 RFOFHNPTHLVBIS-WJQMWINMSA-N 418.415 3.155 0 40 HGAB CC1(C)[C@H]2CC[C@@]1(C)C(=O)N(CCCCN1CCN(Cc3ccccc3)CC1)C2=O 100720563 XTGMLDFXCZWGIX-OFVILXPXSA-N 411.590 3.396 0 40 HGAB O=C(CCN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O)Nc1cccc(CN2CCCCCC2)c1 100731541 VNVMJWLGCIENLM-ZZTDLJEGSA-N 423.557 3.422 0 40 HGAB CCCn1cc(CN2[C@@H]3CC[C@@H]2CC(O)(Cn2nc(C)ccc2=O)C3)c2ccccc21 100737874 CKXIHJRNDUNBFB-NHCUHLMSSA-N 420.557 3.475 0 40 HGAB O=C1[C@@H]2ON=C(c3ccc(Cl)cc3Cl)[C@H]2C(=O)N1c1ccc2c(c1)OCCO2 102559460 VMNOQPPQVXIYII-NVXWUHKLSA-N 419.220 3.057 0 40 HGAB Cc1c(I)cnn1CCC(=O)N[C@@H](C)[C@H]1C[C@H]2CC[C@H]1C2 102629683 LDQPVAHCGFAWEQ-DOERSZECSA-N 401.292 3.127 0 40 HGAB N=C1C(c2nc(-c3ccc(Cl)cc3)cs2)=C(O)CN1CCN1CCOCC1 102721894 ODWXGVAJRUHQOG-UHFFFAOYSA-N 404.923 3.358 0 40 HGAB COc1ccc([C@H](CNC[C@@H](O)COCC2=CC[C@H]3C[C@H]2C3(C)C)N(C)C)cc1 102869603 NPCYYGKUTHOKHW-JVSAHFFESA-N 402.579 3.257 0 40 HGAB Cc1cc(OC2CCN(C(=O)Cc3ccc(Br)cc3)CC2)cc(=O)o1 206973086 QPXQZILJAMAIQS-UHFFFAOYSA-N 406.276 3.323 0 40 HGAB COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H](Cc2nc(C3CC3)no2)C1 220785654 YGLFYGDNORRLFS-GFCCVEGCSA-N 411.911 3.252 0 40 HGAB Cc1ccc(SCCNC(=O)c2cccc(N3CCCCS3(=O)=O)c2)cc1 222551154 OOBWNUPGWZYZJZ-UHFFFAOYSA-N 404.557 3.447 0 40 HGAB C[C@@H](C(=O)NCc1cccc2ccccc12)N(c1cccc(F)c1)S(C)(=O)=O 222883809 YLNQZNUZXPHFNA-HNNXBMFYSA-N 400.475 3.450 0 40 HGAB Cc1ccccc1-c1noc(CNS(=O)(=O)c2ccc(Br)cc2)n1 223580315 OSYRFFYEHALDOM-UHFFFAOYSA-N 408.277 3.286 0 40 HGAB CCc1ccccc1N(CCCC(=O)NCCOc1cccc(C)c1)S(C)(=O)=O 224660555 WPEKRKODCKKKOX-UHFFFAOYSA-N 418.559 3.299 0 40 HGAB Cc1nc(-c2ccc(S(=O)(=O)NC[C@H](c3ccsc3)N3CCC3)cc2)co1 225595005 RXRXSFLLOUCPPL-LJQANCHMSA-N 403.529 3.437 0 40 HGAB CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)NC[C@H](O)c1csc3ccccc13)C(=O)C2 225697270 OQRRXVMLLGKLOZ-ZSOFBXJNSA-N 407.557 3.250 0 40 HGAB COc1ccccc1N1CCN(C(=O)Cn2ccc(=O)c3ccc(Cl)cc32)CC1 225736223 RDTUNMMWLDMRPS-UHFFFAOYSA-N 411.889 3.012 0 40 HGAB COc1ccc(CNC(=O)NC[C@@](O)(c2ccoc2)c2cccs2)cc1OC 238957398 YCLIYBVQJDYVSL-HXUWFJFHSA-N 402.472 3.094 0 40 HGAB O=C(CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)Nc1ncc(Cc2ccccc2)s1 247797586 SKDHZAYQFFINGS-ILRDRHFLSA-N 409.511 3.094 0 40 HGAB CCOC[C@]1(C(N)=S)[C@H](c2ccc(CC)cc2)[C@H]1S(=O)(=O)c1ccccc1 252515726 NAFXETIKJBKVBK-SBHAEUEKSA-N 403.569 3.498 0 40 HGAB CNC(=O)[C@@]1(c2ccccn2)CCCN(C(=O)C2(c3ccc(OC)cc3)CCCC2)C1 257342524 ZPAVNXVMLZZOHR-VWLOTQADSA-N 421.541 3.208 0 40 HGAB CN(C)C(=O)N1CCC[C@@H]1c1nc(C(=O)NCc2ccc(F)cc2)c2ccccn12 306123685 ATVSVVVOXQAKSX-GOSISDBHSA-N 409.465 3.222 0 40 HGAB COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N2CC[C@H](C(N)=O)C2)c(OC)c1 512998377 VPUCDBSINCWSMK-HNNXBMFYSA-N 421.497 3.119 0 40 HGAB Cc1cc(C)n(-c2cc(N3CC(C(=O)Nc4ccccc4C(F)(F)F)C3)ncn2)n1 575414005 ABVWWXXOLHJWRG-UHFFFAOYSA-N 416.407 3.373 0 40 HGAB CN(C)S(=O)(=O)c1ccc(C(=O)NC[C@H](c2ccco2)c2cccs2)cc1 585146813 SQDREJZUXMPUTH-MRXNPFEDSA-N 404.513 3.153 0 40 HGAB COc1ccccc1N=c1nc(N)nc(CSCc2nc(-c3ccccc3)no2)[nH]1 603442437 SLVYKCYBTXIJNN-UHFFFAOYSA-N 421.486 3.111 0 40 HGAB O=C(c1ccc2noc(-c3ccccc3)c2c1)N1CCN(c2nccs2)C(=O)C1 1565523631 SQJOJTDAEWNMBT-UHFFFAOYSA-N 404.451 3.440 0 40 HGAB CCN1CCN(C(=O)C(C)(C)N)C[C@@H](Cc2ccc(-c3ccccc3F)cc2)C1=O 1848354121 JQNFKAWHUSCPRT-LJQANCHMSA-N 411.521 3.079 0 40 HGAB O=C(c1cc(-c2ccc(Cl)cc2)on1)N(Cc1ccco1)[C@H]1CCS(=O)(=O)C1 11914682 WVPMWCMTJBIEQT-HNNXBMFYSA-N 420.874 3.418 0 40 HGAB COc1ccc2[nH]c(=O)c(CN(CCO)C(=S)Nc3ccc(C)cc3C)cc2c1 884992 VNKNHFWVCLCXCF-UHFFFAOYSA-N 411.527 3.345 0 40 HGAB C[C@H]1CCCN(c2nnc(S[C@@H](C(N)=O)c3ccccc3)n2Cc2ccco2)C1 32883929 RDKBTNCGZXYGAZ-MAUKXSAKSA-N 411.531 3.474 0 40 HGAB CCOC(=O)[C@@H](C)Oc1cccc2c(=O)n(CC(=O)Nc3ccccc3C)ccc12 2712266 SAINBZMZDLUNKP-MRXNPFEDSA-N 408.454 3.279 0 40 HGAB CC(C)CNS(=O)(=O)c1ccc(CCC(=O)N2CCc3ccccc3C2)cc1 2846338 UXSLRMLJFYTGFC-UHFFFAOYSA-N 400.544 3.138 0 40 HGAB C[C@@H]([C@@H](O)c1ccccc1)N(C)C[C@H]1C(=O)O[C@@H]2CC3=CCC[C@@H](C)[C@@]3(C)[C@@H](O)[C@H]12 4028674 SYTZVGPWDLPTPO-WMINDAEQSA-N 413.558 3.325 0 40 HGAB biogenic O=C(Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(C(=O)c2ccccc2)C1)c1cccs1 4236149 XDOYXLXCOHAGGS-DOTOQJQBSA-N 419.506 3.422 0 40 HGAB biogenic,in-vitro CC(C)(C)[C@H]1CCc2c(sc3nnn(CC(=O)Nc4nccs4)c(=O)c23)C1 4966133 GVNMBSVXBZKTST-JTQLQIEISA-N 403.533 3.099 0 40 HGAB Cc1ccc(NC(=O)COCC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1Cl 6966780 FDXIVWMBIHFJPJ-UHFFFAOYSA-N 419.884 3.091 0 40 HGAB CSc1nnc(C)n1NC(=O)c1cnn2c(C(F)F)cc(-c3ccccc3)nc12 2792619 FYTZETYXSXXBOE-UHFFFAOYSA-N 415.429 3.340 0 40 HGAB O=C(COC(=O)COc1ccc(Br)cc1)Nc1ccc2c(c1)CCC2 8009394 CRJZYROZVZPAMK-UHFFFAOYSA-N 404.260 3.499 0 40 HGAB Cc1sc2nc(C)n(NC(=O)Cn3nc(C(F)F)c(Cl)c3C)c(=O)c2c1C 2778339 FACYNXHYRJUNFZ-UHFFFAOYSA-N 415.853 3.249 0 40 HGAB COC(=O)c1sc(NC(=O)CN(Cc2ccccc2)C(C)C)c(C(=O)OC)c1C 10929335 HAAIWHNHQAPKHP-UHFFFAOYSA-N 418.515 3.479 0 40 HGAB CCOC(=O)c1c(NC(=O)c2cccs2)sc(C(=O)N2CCOCC2)c1C 799473 NHFFTGBPBALHEU-UHFFFAOYSA-N 408.501 3.019 0 40 HGAB CCCCCn1c(=O)c2ccccc2n(CC(=O)N2CCCc3ccccc32)c1=O 51357649 PWOWBZDUJBNEFU-UHFFFAOYSA-N 405.498 3.333 0 40 HGAB COc1cccc(NC(=O)C[C@H]2C(=O)N(C[C@H]3CCCO3)c3nc4ccccc4n32)c1 23382150 OUCCBZZXZNBTKX-XLIONFOSSA-N 420.469 3.140 0 40 HGAB CCCN1C(=O)[C@@H](C(=O)OCC)[C@@H](c2ccc(OC)c(O)c2)n2c1nc1ccccc12 20675216 REICXPZINOYIBW-VQTJNVASSA-N 423.469 3.276 0 40 HGAB CC(=O)c1sc(NC(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)nc1-c1ccccc1 23682893 IYEBNRBUZOAUBQ-DJJJIMSYSA-N 401.513 3.405 0 40 HGAB C[C@@H](Oc1ccc(Br)cc1)C(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O 24020906 AGXOHNPTMYCURN-SNVBAGLBSA-N 403.232 3.081 0 40 HGAB Cc1csc([C@](O)(CC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)C(F)(F)F)n1 84268126 XKQAFJWPPUPPEW-RHSMWYFYSA-N 418.412 3.331 0 40 HGAB COc1ccc(C(=O)N2CC[C@@H](C)Sc3ccccc32)cc1S(=O)(=O)N(C)C 24585136 MURCZLUCIHRXJX-CQSZACIVSA-N 420.556 3.477 0 40 HGAB COC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 25155703 XFNPNUXVPRYCND-HXUWFJFHSA-N 411.889 3.493 0 40 HGAB Cc1ccc(-n2c(=O)c3sccc3n(CC(=O)N3CCCC[C@H]3C)c2=O)cc1C 57491103 KGRKTDVBLNNVCC-MRXNPFEDSA-N 411.527 3.232 0 40 HGAB CC(C)[C@@H](C(=O)NCc1ccccc1OC(F)F)N1C(=O)c2ccccc2C1=O 10114212 DRIDMLWYEYAWLU-KRWDZBQOSA-N 402.397 3.225 0 40 HGAB COc1cc(S(=O)(=O)Nc2ccc(Cl)cn2)c(OC)cc1Br 27587902 SOXISZRSGNJVJR-UHFFFAOYSA-N 407.673 3.316 0 40 HGAB O=C(Nc1ccccc1N1CCc2ccccc21)N1CCN(C(=O)[C@@H]2CCCO2)CC1 58119559 JETUIFXVMNVDIE-QFIPXVFZSA-N 420.513 3.236 0 40 HGAB O=C(NCCSC1CCCCC1)C1CCN(S(=O)(=O)c2cccs2)CC1 24606303 FBFUGLVFEQUSQB-UHFFFAOYSA-N 416.634 3.331 0 40 HGAB Cc1cc(C)cc(OCC(=O)NC[C@@H](c2ccc(Cl)cc2)N2CCN(C)CC2)c1 27663591 CJKASSTWKCDYRF-QFIPXVFZSA-N 415.965 3.441 0 40 HGAB CC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2c(C)cc(=O)oc2c1 2152128 UQPSFMUYCINNSE-SFHVURJKSA-N 415.467 3.072 0 40 HGAB biogenic O=C(CN1CCN(CCCOc2cccc(Cl)c2)CC1)N1CCc2ccccc21 58392498 JYCWBUMIAWQWRK-UHFFFAOYSA-N 413.949 3.316 0 40 HGAB O=C(CS(=O)(=O)Cc1cc(Cl)c2c(c1)OCCCO2)NC1CCCCCC1 58407235 SDUBFYUHLBEBLK-UHFFFAOYSA-N 415.939 3.255 0 40 HGAB CS(=O)(=O)Nc1cccc(CNC(=O)c2cc(Br)ccc2Cl)c1 10547306 QXCGAQNEOYNIKH-UHFFFAOYSA-N 417.712 3.404 0 40 HGAB CS(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)NC2CCCCCCC2)c1 3384908 PJZWTVVLHNGVMT-UHFFFAOYSA-N 401.912 3.129 0 40 HGAB COc1ccc(NC(=O)c2ccc(Cn3cnc4ccccc4c3=O)o2)cc1OC 36360117 VOMDDFINPZLBRO-UHFFFAOYSA-N 405.410 3.307 0 40 HGAB COc1cccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)c1 12768250 AOYZDHVLVKQBSJ-UHFFFAOYSA-N 414.527 3.223 0 40 HGAB O=C(N1CCC(NS(=O)(=O)c2cccs2)CC1)C1(c2ccc(Cl)cc2)CC1 11449800 YTNLSBCPSQWIGI-UHFFFAOYSA-N 424.975 3.403 0 40 HGAB O=C(COc1ncnc2c1cnn2-c1ccccc1)c1ccc(N2CCCC2=O)cc1 28616798 PWPMYYBKWAVJMB-UHFFFAOYSA-N 413.437 3.204 0 40 HGAB O=S(=O)(NCc1ccc(CN2CCOCC2)cc1)c1ccc(C(F)(F)F)cc1 12996921 MBDNQKAJUNWRBM-UHFFFAOYSA-N 414.449 3.016 0 40 HGAB CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(NC(=O)Cc3ccccc3)C(=O)[C@@H]12 3669298 WYLLJUJZUTXHPC-AYIBLLACSA-N 422.484 3.327 0 40 HGAB CNS(=O)(=O)c1ccc(Br)c(C(=O)N[C@H](C)CCCC(C)C)c1 13007172 BCTAFPZHIGLYME-GFCCVEGCSA-N 405.358 3.302 0 40 HGAB COc1ccc(/C=C/C(=O)N(C)Cc2nnc(-c3ccc(OC)c(OC)c3)o2)cc1 408713911 CMYSEBBIABDURG-KPKJPENVSA-N 409.442 3.434 0 40 HGAB c1ccc(-c2cc(CN3CC[C@@]4(COCc5cnc(NC6CC6)nc54)C3)no2)cc1 306126024 DJTUYAHUYYIEJL-QHCPKHFHSA-N 403.486 3.380 0 40 HGAB Cc1ccc2nc(-c3ccc(C)s3)cc(C(=O)N[C@H]3CCS(=O)(=O)C3)c2c1 27977294 YQVDMHJQKPNSRQ-AWEZNQCLSA-N 400.525 3.497 0 40 HGAB COc1ccc(Cl)cc1NC(=O)CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O 6552361 RDKVWNJQTXERQL-OAQYLSRUSA-N 413.861 3.071 0 40 HGAB Cc1cc(NC(=O)[C@@H](C)SCC(=O)Nc2ccc(CN3CCCC3)cc2)no1 8750032 CFRFWWUPHGBQQB-OAHLLOKOSA-N 402.520 3.278 0 40 HGAB CCN(CC)S(=O)(=O)c1cc(NC(=O)CN2CCc3sccc3C2)ccc1C 14779075 ZDTXAZLPXQYGGF-UHFFFAOYSA-N 421.588 3.084 0 40 HGAB Cc1cccc(-c2nnc(SCC(=O)Nc3ccccc3C(=O)NC3CC3)n2C)c1 6841217 CNNHWMWTVVBZSG-UHFFFAOYSA-N 421.526 3.414 0 40 HGAB CCOC(=O)c1sc(NC(=O)[C@H]2CC(=O)N(c3cccc(C)c3C)C2)nc1C 4943380 BDMFOZCEHNPHAW-AWEZNQCLSA-N 401.488 3.237 0 40 HGAB CCOC(=O)[C@@H]1C(=O)N=C(N2CCc3ccccc3C2)N[C@@H]1c1cccc(Cl)c1 20637005 XSFXNOYACYLDOM-RBUKOAKNSA-N 411.889 3.105 0 40 HGAB Cc1nc2sc3c(=O)n(CC(=O)Nc4nccs4)cnc3c2c2c1CCCC2 8992164 KJPMZUVPNALSFF-UHFFFAOYSA-N 411.512 3.289 0 40 HGAB Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)CCc3ccsc3)CC2)c(C)c1 7213882 UFJZCPJYPBIUHC-UHFFFAOYSA-N 406.573 3.139 0 40 HGAB CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc1 8039941 NGMRDHQVGMUJLU-LJQANCHMSA-N 416.499 3.332 0 40 HGAB Cc1ccc(CN2C[C@@H](C(=O)N(C)CC(=O)Nc3c(C)cc(C)cc3C)CC2=O)cc1 8087345 ORQXTZAJINCUFP-NRFANRHFSA-N 421.541 3.366 0 40 HGAB NC(=O)NC(=O)[C@@H](Sc1nnc(C2CC2)n1Cc1ccccc1)c1ccccc1 8156778 ZUPHHIPFFFGYEA-KRWDZBQOSA-N 407.499 3.232 0 40 HGAB COc1ccc(CN(C2CC2)S(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1 8186394 SBKVKARYQSALEF-UHFFFAOYSA-N 400.500 3.175 0 40 HGAB COc1ccc(Cn2nnnc2SCC(=O)N[C@H]2CCCc3ccccc32)cc1 8325349 HCJNBCFWAZXELW-IBGZPJMESA-N 409.515 3.016 0 40 HGAB Cc1ccc(N2C(=O)N(Cc3nc(N)nc(Nc4ccccc4C)n3)C(=O)[C@H]2C)cc1 9368379 REAZITQSMMDRNC-OAHLLOKOSA-N 417.473 3.172 0 40 HGAB O=C(NCc1cccs1)c1cccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c1 9468752 VQSSVNCRFOATNV-UHFFFAOYSA-N 416.480 3.208 0 40 HGAB CCN(Cc1ccc2c(c1)OCCO2)C(=O)c1cc(S(C)(=O)=O)ccc1Cl 9581409 QHDASQCMXAPGQO-UHFFFAOYSA-N 409.891 3.177 0 40 HGAB CCOC(=O)c1cc(NC(=O)c2ccc(Br)o2)ccc1N1CCOCC1 9580951 WDAYDFOEIUEQNS-UHFFFAOYSA-N 423.263 3.308 0 40 HGAB CCn1c(SCC(=O)Nc2ncccc2C)nnc1[C@@H](C)NC(=O)c1ccccc1 409137057 UUUHLPBPDNJGBN-OAHLLOKOSA-N 424.530 3.223 0 40 HGAB CN(CC(=O)N1CCC[C@@H]2CCCC[C@@H]21)[C@H](C(N)=O)c1cccc(Br)c1 95459173 NLQKRKILKCFCTQ-FNHZYXHNSA-N 422.367 3.089 0 40 HGAB Cc1ccc(NC(=O)COC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2c2ncccn2)cc1C 95943783 PKQMHGGZQAOKAR-IHPCNDPISA-N 408.502 3.413 0 40 HGAB COc1ccc(OC)c(NC(=O)[C@H](C)N(c2cc(C)cc(C)c2)S(C)(=O)=O)c1 409381883 OMIIDJAUEINKMA-HNNXBMFYSA-N 406.504 3.114 0 40 HGAB COc1ccccc1CN1CCN([C@H](c2nnnn2Cc2ccccc2)C(C)C)CC1 20140889 ZJYOKHPQXBLZMY-QHCPKHFHSA-N 420.561 3.245 0 40 HGAB CC1(C)C[C@@H](NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)c2ccccc2O1 219218585 MYIOXKQWDPHKAI-GOSISDBHSA-N 400.500 3.394 0 40 HGAB O=C(O)CCn1cc([C@H](C(=O)O)N2CCCCC2)c2ccc(Br)cc21 36365396 MORVDEFWDBCYGK-QGZVFWFLSA-N 409.280 3.490 0 40 HGAB CCN1CCN(Cc2ccc(NC(=O)c3cc(OC)c(OC)cc3OC)cc2)CC1 32915635 VUAIJXZDOWLEPX-UHFFFAOYSA-N 413.518 3.102 0 40 HGAB Cc1cccc(NC(=O)CSc2nc3nccnc3c(=O)n2Cc2cccs2)c1 9405353 BRAGUTOPLRSXFO-UHFFFAOYSA-N 423.523 3.336 0 40 HGAB COc1cc(CN2CCC([C@@H](NC(C)=O)c3nccs3)CC2)cc(OC)c1OC 72394568 JVMBGKMVXFTFKA-LJQANCHMSA-N 419.547 3.258 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)NCC1CCCCC1 225204641 SNOKJYNPBPEBBS-UHFFFAOYSA-N 422.591 3.499 0 40 HGAB COC(=O)c1cc(S(=O)(=O)NCc2ccccc2CN2CCCC2)ccc1Cl 224801168 ALPQTHSDSCYKKY-UHFFFAOYSA-N 422.934 3.201 0 40 HGAB Cc1ccc(OC[C@@H](C)NC(=O)c2cccc(N3CCCCS3(=O)=O)c2)cc1C 224394666 BAHSAWMVEPHRGM-GOSISDBHSA-N 416.543 3.431 0 40 HGAB COc1ccccc1N(CCCC(=O)N1c2ccccc2C[C@@H]1C)S(C)(=O)=O 224144464 OFKXPWFHJLCXCQ-INIZCTEOSA-N 402.516 3.219 0 40 HGAB CC(=O)c1ccc(N2CCN(C(=O)CN3CCCc4cccc(F)c43)CC2)c(F)c1 40050474 RUSDMFXKVAFNEY-UHFFFAOYSA-N 413.468 3.269 0 40 HGAB COc1ccc(C)cc1N([C@H](C)C(=O)N[C@@H](C)CCc1ccccc1)S(C)(=O)=O 220340593 VPWHIGYBXAFMAH-ZWKOTPCHSA-N 418.559 3.296 0 40 HGAB COc1ccccc1[C@@H](C)NC(=O)CN(c1cccc(SC)c1)S(C)(=O)=O 223179989 MHOMCYKBDNOPPF-CQSZACIVSA-N 408.545 3.061 0 40 HGAB CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N[C@@H](C)c1ccccc1C 223235917 ZAIRTUJZCYNWRW-OXJNMPFZSA-N 404.532 3.426 0 40 HGAB CC[C@H](C(=O)NCCCc1ccc(F)cc1)N(c1ccccc1F)S(C)(=O)=O 220601180 SNACTZXKHBKYOI-GOSISDBHSA-N 410.486 3.258 0 40 HGAB O=C(CCc1nc(-c2ccncc2)no1)N1CCC(O)(c2ccc(Cl)cc2)CC1 96230764 SXDRCPCQSKYZFP-UHFFFAOYSA-N 412.877 3.228 0 40 HGAB O=C1NCCN(Cc2ccccc2)C12CCN(Cc1ccc(Cl)c(F)c1)CC2 96077195 SBUKBPPWGVHKRO-UHFFFAOYSA-N 401.913 3.446 0 40 HGAB O=C(CCCNC(=O)c1cnccn1)N[C@H]1CCCc2c1[nH]c1ccc(Cl)cc21 96117641 RXDSSFASUJXVBQ-KRWDZBQOSA-N 411.893 3.315 0 40 HGAB CC1(C)CN(C(=O)c2ccc(Cl)cc2)C[C@@H]2CN(Cc3nccs3)CCN21 253408178 XEFZXXRMFHSDPO-KRWDZBQOSA-N 404.967 3.217 0 40 HGAB biogenic,in-vitro COc1cccc(OC)c1C(=O)N1CCO[C@@H](c2cccc(Nc3ccccn3)n2)C1 257301569 RZAAHZGFCZKBDW-LJQANCHMSA-N 420.469 3.451 0 40 HGAB COc1ccc(CN2C[C@@H]3CN(C(=O)NC4CCCCC4)CCN3C(C)(C)C2)cc1 253395871 CQVXVNOTVOXXJI-OAQYLSRUSA-N 414.594 3.318 0 40 HGAB biogenic,in-vitro CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCCN3S(=O)(=O)N3CCCC3)cc2N1 253608424 FTQJKIMDVLQVQJ-BPLDGKMQSA-N 421.489 3.058 0 40 HGAB COc1cccc(NC(=O)N2CCC[C@H](c3nn(-c4ccccc4)cc3C(N)=O)C2)c1 682736731 UIWROSNHBSUTTN-INIZCTEOSA-N 419.485 3.391 0 40 HGAB Cc1csc(Nc2cc([C@H]3CCN(C(=O)/C=C/c4cnn(C)c4)C3)nc(C)n2)n1 585291042 IGNWJGZLJJDYHT-APHBUQMISA-N 409.519 3.056 0 40 HGAB COCCN1c2cccnc2-n2cccc2[C@]12CCN(C(=O)c1c[nH]c(Cl)c1)C2 585106906 KYPACWILIJFAQK-OAQYLSRUSA-N 411.893 3.062 0 40 HGAB CCCn1nc(C)c(C(=O)N[C@H](C)[C@@H](C)NC(=O)c2c(C)nn(CCC)c2C)c1C 683364184 STGZZZGLMMHJCW-ZIAGYGMSSA-N 416.570 3.070 0 40 HGAB Cn1ccnc1[C@](O)(CCNC(=O)N(Cc1ccc(F)cc1)C1CC1)C(F)(F)F 59300794 JENTVNNGENPGCC-GOSISDBHSA-N 414.403 3.073 0 40 HGAB Cc1cccc(C(=O)N2CCCC2)c1NC(=O)NC[C@@H]1c2ccccc2C(=O)N1C 1196936919 FCCUUOOQLQNXQM-LJQANCHMSA-N 406.486 3.179 0 40 HGAB CC(C)(C)CC(=O)N1CCC(c2nc(O)c3nnn(Cc4ccccc4)c3n2)CC1 5624911 CWKNXXKEVBFOJY-UHFFFAOYSA-N 408.506 3.117 0 40 HGAB COC(=O)C1=C(C)N(c2ccc3c(c2)OCCO3)C(=S)N[C@H]1c1ccc(F)cc1 12553354 AMHGSNIUGAQIIM-IBGZPJMESA-N 414.458 3.480 0 40 HGAB Cc1ccc(NC(=O)[C@@H]2CC(=O)N(C[C@H]3CCCO3)c3nc4ccccc4n32)cc1 13999278 SKQHUOKHFPMIFW-XLIONFOSSA-N 404.470 3.440 0 40 HGAB CC(=O)Nc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc3ccccc3c2)c1 16321537 LZDGYFSFJQLCQX-UHFFFAOYSA-N 411.483 3.057 0 40 HGAB CCOc1ccccc1C(=O)N1CCCC[C@H]2CN(C(=O)C[C@H]3CCCO3)C[C@H]21 19520094 FQACXSLLSIORGG-NLWGTHIKSA-N 400.519 3.108 0 40 HGAB CN1CCN(C(=O)c2cc(N3C(=O)CCC3=O)ccc2Cl)[C@@H](c2ccccc2)C1 19589362 VMNRSYVWYOFWJS-LJQANCHMSA-N 411.889 3.122 0 40 HGAB CNc1cc(C(=O)N2CCO[C@@H](c3ccc(Cc4ccc(F)cc4)cn3)C2)ccn1 19692238 AIQFZHYXCVKJAI-OAQYLSRUSA-N 406.461 3.462 0 40 HGAB Cc1cc(C(=O)NC[C@H](c2ccc(Cl)cc2)N2CCOCC2)c2c(C)noc2n1 19715839 USMFRUSRVWGYIF-GOSISDBHSA-N 414.893 3.296 0 40 HGAB Cc1nc([C@H]2CCCCN2C(=O)COc2ccccc2)nc2c1CC(=O)N2CC1CC1 19740254 VBFICANLOYDCRI-HXUWFJFHSA-N 420.513 3.217 0 40 HGAB C#CCOc1ccc(Br)cc1/C=C(\Sc1nnc(CC)[nH]1)C(=O)O 7342590 OHCAXOBILZMOLR-LCYFTJDESA-N 408.277 3.359 0 40 HGAB CN1CCN(Cc2cc3c(-c4cccc(F)c4)nn(-c4ccccc4)c3[nH]c2=O)CC1 19590065 KJRDFTPDKVRKRX-UHFFFAOYSA-N 417.488 3.267 0 40 HGAB COc1cccc(CC(=O)N2CCC[C@@H]([C@@H]3C[C@H](C(F)(F)F)n4ncnc4N3)C2)c1 19564206 AWOGUWJOUQOZSX-HYVNUMGLSA-N 423.439 3.056 0 40 HGAB C[C@H]1CCC[C@@H](C)N1CCNC(=O)[C@@H]1C[C@H]2CC[C@H]1C[C@@]21NC(=O)c2ccccc2N1 257255907 KJJQGAVGEXSPLV-LGYULEAOSA-N 424.589 3.354 0 40 HGAB O=C(CCc1ccc(C(F)(F)F)cc1)NCC1(N2CCSCC2)CCOCC1 1888856707 CFBUEGXZRUOKGF-UHFFFAOYSA-N 416.509 3.352 0 40 HGAB Cc1ccc(NC(=O)Nc2nc(CC(=O)Nc3ccc(C(N)=O)cc3)cs2)cc1 9784822 DOGQFHWWMDEHQF-UHFFFAOYSA-N 409.471 3.376 0 40 HGAB COc1ccc(OC)c(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2N)c1 10186300 DBNBPHDDQNKMPU-UHFFFAOYSA-N 419.894 3.060 0 40 HGAB Cc1cc(OCC(=O)N2CC(n3nc(-c4ccncc4)ccc3=O)C2)cc(C)c1Cl 1775974907 WLUJJRQYBDFQBZ-UHFFFAOYSA-N 424.888 3.038 0 40 HGAB CC1=C(C(=O)Nc2cccnc2)[C@H](c2ccc(Cl)cc2Cl)n2nnnc2N1 950935 RSTJAFPTGJVCHO-HNNXBMFYSA-N 402.245 3.303 0 40 HGAB COc1cc(C(C)=O)ccc1OC[C@H](O)CN1CCN(c2cccc(Cl)c2)CC1 19908880 LTJBRRKNENDYBG-HXUWFJFHSA-N 418.921 3.113 0 40 HGAB COc1ccc(NC(=O)[C@@H](C)N2CCC[C@@H](C(=O)Nc3ccccc3)C2)cc1OC 24060732 QQQBRAZHXJZUKP-IAGOWNOFSA-N 411.502 3.382 0 40 HGAB CCN(Cc1ccc2c(c1)OCO2)C(=O)Nc1cccc(-c2nnnn2C2CC2)c1 40104381 BKCJFFDQGPFTTF-UHFFFAOYSA-N 406.446 3.458 0 40 HGAB CC1CCN(Cc2ccc(CNC(=O)[C@@H]3CC(=O)N(Cc4ccco4)C3)cc2)CC1 31284703 YFPQXAQPHNRLOM-OAQYLSRUSA-N 409.530 3.176 0 40 HGAB COc1ccc(Cl)cc1NC(=O)C[C@@H]1C(=O)Nc2nc(-c3ccc(C)cc3)nn21 20745360 FHKFJOWRDPGUGJ-OAHLLOKOSA-N 411.849 3.438 0 40 HGAB COc1ccc(OC)c(NC(=O)Cn2nc(-c3ccccc3)c3c(c2=O)CCCC3)c1 21174391 MUYSBLGVBJOHNI-UHFFFAOYSA-N 419.481 3.445 0 40 HGAB Cn1c(CCC(=O)Nc2ccc(F)cc2)nnc1SCC(=O)Nc1ccccc1 8375616 BLPLHGUAIUPVNN-UHFFFAOYSA-N 413.478 3.256 0 40 HGAB CN(C[C@H]1COc2ccccc2O1)C(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1 32845354 FGSVGLZKBVAHOD-SFHVURJKSA-N 424.884 3.462 0 40 HGAB COc1cc(CNCCCSc2nnnn2C)ccc1OCc1ccc(C)cc1 7541537 NLLOFYRPPXCFJC-UHFFFAOYSA-N 413.547 3.378 0 40 HGAB C[C@]1(Cc2ccc3c(c2)OCO3)NC(=O)N(CCOc2ccccc2Cl)C1=O 7560862 QRMHHCPYRVKUSY-HXUWFJFHSA-N 402.834 3.001 0 40 HGAB Cc1ccc(S[C@@H](C)C(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 10287780 LJCFINZCMPPLOQ-SFHVURJKSA-N 418.584 3.317 0 40 HGAB COC(=O)c1ccc(C)c(NC(=O)[C@H](C)N(c2cc(C)ccc2C)S(C)(=O)=O)c1 10371886 ZREMZXPKROOCLF-INIZCTEOSA-N 418.515 3.192 0 40 HGAB COc1ccc(Cn2nnnc2S[C@@H](C)C(=O)N[C@H]2CCCc3ccccc32)cc1 8327248 PXWNRNPKCIXGDY-YWZLYKJASA-N 423.542 3.404 0 40 HGAB CCOC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)Nc2ccc(C)cc2)cc1 8416770 KYYGYSHNVUECBH-UHFFFAOYSA-N 412.442 3.072 0 40 HGAB Cc1c(C(=O)NCc2ccccc2)nnn1-c1cccc2c1CCN(CC1CC1)C2 69902465 XTNQTCCFGCPJEG-UHFFFAOYSA-N 401.514 3.274 0 40 HGAB COc1ccccc1-n1cnnc1SCc1nc(N)nc(Nc2ccccc2C)n1 9468709 DZNNOEARYFMWFO-UHFFFAOYSA-N 420.502 3.387 0 40 HGAB C[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N1CCN(C)C[C@H]1c1ccccc1 105563927 POGNYJALLLGSEA-LIAWOJLJSA-N 409.574 3.223 0 40 HGAB CCn1cc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)c(=O)c2ccc(C)nc21 3017568 FHTFNQVKIAAGBX-UHFFFAOYSA-N 410.905 3.341 0 40 HGAB COc1ccc(Cl)cc1N1C(=O)C[C@H](c2c(C)nn(-c3ccccc3)c2N)C1=O 61721737 ABQMGLRKEBCMDM-OAHLLOKOSA-N 410.861 3.472 0 40 HGAB O=C(CN1C(=O)[C@@H]2[C@@H]3C=C[C@H]([C@H]4C[C@@H]43)[C@H]2C1=O)Nc1cc(C(F)(F)F)ccc1Cl 102082701 KPVZEGGTGDZPLT-SLHULYQBSA-N 424.806 3.350 0 40 HGAB COc1cccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccc(O)cc4)[C@@H]3C2=O)c1 100947388 BQIMYQISQAQYDN-FKBYEOEOSA-N 416.433 3.452 0 40 HGAB O=C(c1cccc(N2CCCS2(=O)=O)c1)N1CC=C(c2c[nH]c3ncccc23)CC1 25613031 UMPAZVHVOIQFDP-UHFFFAOYSA-N 422.510 3.032 0 40 HGAB COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)C(=O)N[C@H](C)c1ccc(F)cc1 22539482 ALYXJPASSOQLJG-NEPJUHHUSA-N 414.886 3.032 0 40 HGAB COc1cccc(NC(=O)Cn2c(=O)n(-c3cccc(C)c3)c(=O)c3sccc32)c1 57489938 KVMRLJOMQMTYPG-UHFFFAOYSA-N 421.478 3.170 0 40 HGAB O=C(CN1CCN(C(=O)Cc2cccc(C(F)(F)F)c2)CC1)Nc1ccccc1 27126870 ODVAXIRAWQCOCE-UHFFFAOYSA-N 405.420 3.031 0 40 HGAB COC(=O)c1ccc(Cl)c(S(=O)(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2)c1 58141020 DNBDYMLBYGIGDA-ZDUSSCGKSA-N 410.923 3.102 0 40 HGAB CCOC(=O)c1ccc2[nH]c(CSc3nnc(-c4ccco4)n3C)cc(=O)c2c1 21099008 MWWNJGRUAYPCLF-UHFFFAOYSA-N 410.455 3.386 0 40 HGAB Cc1cc(N2CCN(CC(=O)NCc3ccccc3Cl)CC2)nc(C(C)C)n1 12754090 FFBJOMPZZCGESR-UHFFFAOYSA-N 401.942 3.000 0 40 HGAB CCCCCCn1c(SCC(=O)N[C@]2(C)CCS(=O)(=O)C2)nc2ccccc21 11489766 WJSGETRCZACVJP-HXUWFJFHSA-N 423.604 3.402 0 40 HGAB C[C@@H]1C[C@@H]1c1ccc(CCC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)o1 12772993 JHKHMSAZQXXEMH-WBVHZDCISA-N 420.506 3.008 0 40 HGAB COc1ccc(NC(=O)CNc2cccc(I)c2)c(OC)c1 29396791 NZZIDAWFQOUORI-UHFFFAOYSA-N 412.227 3.359 0 40 HGAB O=C(NC1CCN(C(=O)COc2cccc(Br)c2)CC1)c1ccccc1 12881200 ZMKDMXMNHAZHKA-UHFFFAOYSA-N 417.303 3.249 0 40 HGAB O=C(CN1CCN(c2ccccc2O)CC1)Nc1cc(C2CC2)nn1-c1ccccc1 12825012 IAHJOMQWDUIFNZ-UHFFFAOYSA-N 417.513 3.216 0 40 HGAB COC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)CN1C[C@@H](C)O[C@H](C)C1 17091466 HKAOJYVQOOYVOC-ZIAGYGMSSA-N 418.515 3.258 0 40 HGAB COc1ccc(CN2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)cc1F 13039797 MIPJPGTZJJPRGF-UHFFFAOYSA-N 406.523 3.464 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)COc2ccc(C)cc2C)c1 4070980 ATBPOVJWRNXNDO-UHFFFAOYSA-N 420.531 3.360 0 40 HGAB Cc1ccccc1OCC(=O)N(Cc1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 5072161 QBZWVDKRWYJHGN-SFHVURJKSA-N 407.919 3.243 0 40 HGAB Cc1cc(C)cc(OC[C@H](O)Cn2nnc(-c3ccc(Br)cc3)n2)c1 65606141 YJBBHPVPEIQXBO-MRXNPFEDSA-N 403.280 3.159 0 40 HGAB CNC(=O)[C@@H]1CN(CC(=O)Nc2c(Cl)ccc(C)c2Cl)c2ccccc2O1 7252639 HUYDVZUDOYAWMI-HNNXBMFYSA-N 408.285 3.254 0 40 HGAB O=S(=O)(NCc1nccn1C(F)F)c1ccc(Br)cc1Cl 72307373 BGNNIKDKNGRBDF-UHFFFAOYSA-N 400.632 3.173 0 40 HGAB COc1ccc(C(=O)O[C@H](C)C(=O)Nc2cccc(C(C)=O)c2)c(OC)c1OC 7511915 IDKMDFTZIDUISY-CYBMUJFWSA-N 401.415 3.099 0 40 HGAB Cc1c(C(=O)OCCOc2ccc(S(N)(=O)=O)cc2)sc2cccc(F)c12 7528777 YBIZNCSGNUXSHD-UHFFFAOYSA-N 409.460 3.232 0 40 HGAB C[C@H](OC(=O)CNC(=O)c1cc(Cl)ccn1)C(=O)Nc1ccc2ccccc2c1 7739502 UCSSETMMZYMEOK-ZDUSSCGKSA-N 411.845 3.188 0 40 HGAB Cc1ccc(NC(=O)CN2N=C(c3nc(-c4ccccc4)no3)CCC2=O)cc1F 71328324 JYKDXRLFEYVUFP-UHFFFAOYSA-N 407.405 3.149 0 40 HGAB CCCCN1C(=O)CC[C@H](C(=O)NCC2(O)CCCC2)[C@H]1c1ccccc1OC 72284865 RGXHPWVWSVWVJO-GHTZIAJQSA-N 402.535 3.196 0 40 HGAB CCCOC(=O)c1cc(NC(=O)COc2ccccc2C)ccc1N1CCOCC1 9934581 LMUKZULRCGSWQX-UHFFFAOYSA-N 412.486 3.416 0 40 HGAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccc(F)cc2F)cc1Cl 408603552 KTHNPQFNPAPBHM-SNVBAGLBSA-N 418.849 3.322 0 40 HGAB CN(C)S(=O)(=O)c1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 28207258 LPAQEDZHNPATIW-UHFFFAOYSA-N 403.287 3.261 0 40 HGAB Cc1cc(C)nc(NC(=O)c2ccn(COc3ccc(Br)cc3)n2)n1 27973084 DXJBZCPRXYLQAN-UHFFFAOYSA-N 402.252 3.341 0 40 HGAB CCN(Cc1nonc1C)C(=O)c1cc(-c2ccc(OC)cc2)nc2c1c(C)nn2C 36613220 HLZIFISZGGRUAS-UHFFFAOYSA-N 420.473 3.306 0 40 HGAB Cc1ccc(NS(=O)(=O)c2ccc(C(=O)N3CCC(N(C)C)CC3)cc2)cc1C 32912064 UVCZNKVGMXMZBX-UHFFFAOYSA-N 415.559 3.270 0 40 HGAB O=C(NCCc1ccccc1)N(Cc1ccc(F)cc1)S(=O)(=O)c1cccnc1 32642673 SUPHUGFZGOSHMN-UHFFFAOYSA-N 413.474 3.364 0 40 HGAB CNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)Cc1ccc(OC)cc1 225491262 XQKKTZJIUOQIEE-CQSZACIVSA-N 419.319 3.164 0 40 HGAB C[C@@H]1CCCN(c2cc(N3CCCC3)nc(NC(=S)NCc3cccnc3)n2)C1 225939384 GCSSLCDBJQXVSL-MRXNPFEDSA-N 411.579 3.195 0 40 HGAB Cc1ccc(N(CCCC(=O)NCCOc2ccccc2)S(C)(=O)=O)c(C)c1 224646295 HKRKEZPMUHWZSM-UHFFFAOYSA-N 404.532 3.045 0 40 HGAB Cc1ccc(NC(=O)c2ccco2)c(OCc2cc(=O)n3c(ncn3C(C)C)n2)c1 41089810 XVJVMNODPRGMFN-UHFFFAOYSA-N 407.430 3.205 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)Cc1cccc(Cl)c1 225018658 RFMMEOFANLLITB-UHFFFAOYSA-N 408.907 3.314 0 40 HGAB COC(=O)c1ccc(CS(=O)(=O)NCc2ccccc2CN2CCCCC2)cc1 224834618 OKVWJZLOBOQVRW-UHFFFAOYSA-N 416.543 3.079 0 40 HGAB Cc1sc(=O)n(CC(=O)Nc2ccc(S(C)(=O)=O)cc2)c1-c1ccc(F)cc1 40129374 CNNHDFKONMGHON-UHFFFAOYSA-N 420.487 3.067 0 40 HGAB CC(C)Oc1cccc(N(CC(=O)NCCSc2ccccc2)S(C)(=O)=O)c1 220102893 YCXGPUHZROZCPN-UHFFFAOYSA-N 422.572 3.148 0 40 HGAB CSc1cccc(NC(=O)[C@@H](C)NC(=O)N2CCN(Cc3ccccc3)CC2)c1 80328745 PQXOHICQHKFFOD-QGZVFWFLSA-N 412.559 3.263 0 40 HGAB O=C(C[C@@H]1CC2(CCN(C(=O)C3CCCC3)CC2)c2ccccc21)N1CCOCC1 96242197 PKDZRGQYTRRNJQ-HXUWFJFHSA-N 410.558 3.473 0 40 HGAB CCCOc1ccc(S(=O)(=O)N2CCC(C(=O)OCC)CC2)cc1OCCC 96305776 FBSWXHMBTNIZON-UHFFFAOYSA-N 413.536 3.228 0 40 HGAB CC(C)(NS(=O)(=O)c1ccc(-n2ncc(Cl)c(Cl)c2=O)cc1)C1CC1 535022509 UJCSBSPBAQOKRJ-UHFFFAOYSA-N 402.303 3.006 0 40 HGAB COc1cc(CNC(=O)[C@@H]2[C@@H]3CC[C@]4(CC(=O)c5ccccc5O4)[C@H]32)cc(OC)c1 247869441 CMVHSIXDJRAZPD-ZFIHGSKBSA-N 407.466 3.380 0 40 HGAB COc1ccccc1C(=O)N1CCC(COc2ccc(F)cc2)(CC(N)=O)CC1 257238507 HLHQXOCYIBDHNC-UHFFFAOYSA-N 400.450 3.011 0 40 HGAB CC(=O)Nc1ncc(-c2cnc(C[C@H]3CCCN(C(=O)C(C)(C)C)C3)cn2)s1 257308866 TYNRCDLXEDFSBY-CQSZACIVSA-N 401.536 3.386 0 40 HGAB CC(C)C(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](CCNC(=O)c4cccnc4)OCC[C@@]31C2 257296682 RDXFZJGONUPAMQ-FLWDDDKSSA-N 413.562 3.184 0 40 HGAB Cc1cc(S(=O)(=O)NCCc2csc(-n3cccn3)n2)c(Cl)cc1Cl 90703651 WZRHUMGIVJBWJM-UHFFFAOYSA-N 417.343 3.465 0 40 HGAB CCOC(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]3CCCN3[C@]23C(=O)Nc2ccccc23)cc1 57992084 RKQZVYFIUMOCFC-KDLAUNOPSA-N 419.481 3.134 0 40 HGAB biogenic O=C([C@H]1CCCO1)N1CCC[C@@H](c2nc(N3CCCC3)ncc2-c2cccnc2)C1 72347994 MFLQWYOOOHOELX-UYAOXDASSA-N 407.518 3.024 0 40 HGAB O=C1CN(C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccccc2)c2ccccc2N1 13570556 UNVNZMPCNXCPRO-FQEVSTJZSA-N 414.465 3.405 0 40 HGAB COc1ccccc1CNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccccc1 14135322 CMNHQWMFLNHDCX-UHFFFAOYSA-N 424.522 3.203 0 40 HGAB CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1cccc(C(=O)OC)c1 14152575 KLQDZCBUVZVAAI-UHFFFAOYSA-N 410.499 3.406 0 40 HGAB O=C(Nc1nnc(S(=O)(=O)N2CCc3ccccc32)s1)c1ccc(Cl)cc1 15674516 SBNDGJLGFYJRSE-UHFFFAOYSA-N 420.903 3.195 0 40 HGAB NC(=O)[C@]1(Cc2ccc(-c3cccnc3)cc2)CCCN(C(=O)c2cccnc2)C1 19340672 ZHIHLZPYMNDWMW-DEOSSOPVSA-N 400.482 3.094 0 40 HGAB COc1ccc([C@@H](c2nnnn2C(C)C)N2CCN(c3ccccc3F)CC2)cc1 19454663 VWENXYGSARNLCZ-NRFANRHFSA-N 410.497 3.313 0 40 HGAB C[C@@H]1CCCCN1CC(=O)N1CCC(c2ccc(-c3cccc(C(N)=O)c3)cn2)CC1 19689026 FVAIBMIJUBDRHZ-GOSISDBHSA-N 420.557 3.428 0 40 HGAB Cc1ccc(OCCN2CCOCC2)c(NC(=O)c2cn3cc(Cl)ccc3n2)c1 19716765 ZXOICWOLGNQCNF-UHFFFAOYSA-N 414.893 3.259 0 40 HGAB C[C@@H](C(=O)NCc1nnc2n1CCCCC2)n1c(C(F)(F)F)nc2ccccc21 19718426 FRLCVDAZBMNJND-LBPRGKRZSA-N 406.412 3.250 0 40 HGAB NC(=O)c1cc2ccccc2nc1C1CCN(C(=O)CCc2cc(Cl)no2)CC1 12254547 VGKLUIYZHAVANA-UHFFFAOYSA-N 412.877 3.314 0 40 HGAB COc1ccc(CN2CCc3nc(-c4ccncc4)[nH]c(=O)c3C2)cc1OC(C)C 19450495 VLIJEGXNWQUTPZ-UHFFFAOYSA-N 406.486 3.186 0 40 HGAB CCOc1ccc2c(c1)c(C(=O)N[C@@H]1CC(=O)N(c3ccc(OC)cc3)C1)c(C)n2C 19661896 WOQFCPRGJVALID-MRXNPFEDSA-N 421.497 3.429 0 40 HGAB COCc1cn(C2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc(OC(F)(F)F)c2)nn1 1888869852 NFFHMNABIGCPSZ-XYPWUTKMSA-N 410.396 3.331 0 40 HGAB CN(c1ccccn1)C1CCN(c2nc3c(S(C)(=O)=O)cccc3s2)CC1 1889180428 CWIXQIJAEQBBHI-UHFFFAOYSA-N 402.545 3.200 0 40 HGAB COc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)C2CC2)CCC3)cc1F 5136473 FXEFFVJCMBKMLW-UHFFFAOYSA-N 404.463 3.324 0 40 HGAB CCOC(=O)c1cn(CC(=O)Nc2ccc(C)c(Cl)c2)c2nc(C)ccc2c1=O 10272973 WOXNXXFNUMHMDI-UHFFFAOYSA-N 413.861 3.482 0 40 HGAB Cc1cc(S(=O)(=O)N2CC[C@@H](Oc3ccncc3Br)C2)ccc1F 1775973950 UAXQNHWVAALADA-GFCCVEGCSA-N 415.284 3.134 0 40 HGAB O=C(c1ccc(OC(F)(F)F)cc1)N1CCN(c2cc3c(nn2)CCCC3)CC1 225792435 VHTRDFGCBWIHGP-UHFFFAOYSA-N 406.408 3.216 0 40 HGAB C[C@H](CCc1ccccc1)NC(=O)[C@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 40069972 QDLKLGGXGSFCNL-CDHQVMDDSA-N 400.519 3.106 0 40 HGAB CCN(CC)C(=O)N1CCC[C@@H](C(=O)Nc2cccc(NC(=O)c3cccnc3)c2)C1 40133468 GCKWPJLUQKBCKT-GOSISDBHSA-N 423.517 3.446 0 40 HGAB C[C@@H]1CCCC[C@@H]1NC(=O)CN1C(=O)N[C@](C)(c2ccccc2C(F)(F)F)C1=O 40116617 RWGISDXTOURFAU-XFHNUULXSA-N 411.424 3.167 0 40 HGAB NNc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCN(Cc1ccccc1)C3 20263523 BBUYNCSVYOTHAI-UHFFFAOYSA-N 403.511 3.291 0 40 HGAB CCOc1ccc(-c2cc(C(=O)N3CCN(c4ccccc4OC)CC3)n[nH]2)cc1 51315719 CHTJUWGCBFDSAU-UHFFFAOYSA-N 406.486 3.446 0 40 HGAB COc1ccc([C@@H]2C=C(C(=O)O)Nc3c(C(=O)Nc4cccc(C)c4)cnn32)cc1 101298329 BMXBYWNJLCGUOR-IBGZPJMESA-N 404.426 3.436 0 40 HGAB COc1cccc(-c2nnn(CC(=O)Nc3ccc(N4CCCCCC4)cc3)n2)c1 8161292 IZJZLAMWSSUWHO-UHFFFAOYSA-N 406.490 3.368 0 40 HGAB Cc1ccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)cc1 796890 NPKADSJFCHRGNM-QGZVFWFLSA-N 406.935 3.366 0 40 HGAB Cc1cc(C(F)(F)F)nn1CC(=O)Nc1sc2c(c1C(N)=O)CCCCC2 997672 HTKYHCXBMBGODI-UHFFFAOYSA-N 400.426 3.278 0 40 HGAB COC(=O)c1nc(NC(=O)C[C@@H]2NC(=O)c3ccccc32)sc1Cc1ccccc1 79476683 RHPVBGOSIWUTPS-INIZCTEOSA-N 421.478 3.334 0 40 HGAB CS(=O)(=O)c1ccc(NC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)cc1 32994676 DHMZQVADSDTNTK-HNNXBMFYSA-N 420.918 3.234 0 40 HGAB Cc1ccc(NC(=O)CS[C@@H](C)C(=O)N2CCN(c3ccccc3O)CC2)cc1 21873611 HHHYNYDKWDQNAA-KRWDZBQOSA-N 413.543 3.110 0 40 HGAB O=C(CSc1nnc(NC(=O)c2cccc(F)c2)s1)NCc1cccs1 4905577 FIKWPPBWGCZUAJ-UHFFFAOYSA-N 408.505 3.400 0 40 HGAB COc1ccccc1-c1noc(CN2C(=O)N[C@]3(CCCc4sccc43)C2=O)n1 8262612 GIFZDEGRCXCNSN-FQEVSTJZSA-N 410.455 3.090 0 40 HGAB COc1ccc(S(=O)(=O)Nc2ccccc2SC)cc1C(=O)N1CCCC1 7361397 UQIGLPDQMKDOHO-UHFFFAOYSA-N 406.529 3.454 0 40 HGAB CC(C)N(CCNC(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1)C(C)C 7800612 QKIDFAQNHCIMEX-UHFFFAOYSA-N 417.575 3.360 0 40 HGAB O=C(CCN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O)Nc1ccc(Cl)c(Cl)c1 102086127 YYTXKGKVYZOGLL-KNNTYIFHSA-N 405.281 3.375 0 40 HGAB COC(=O)c1ccc(C)c(NC(=O)[C@H](C)N(c2cc(C)cc(C)c2)S(C)(=O)=O)c1 8320008 KFKUKHIVBWLQMJ-INIZCTEOSA-N 418.515 3.192 0 40 HGAB Cc1c(NS(=O)(=O)c2ccccc2)cccc1C(=O)NCCCN1CCCCC1 10112046 HTWSGHONWBRZKN-UHFFFAOYSA-N 415.559 3.402 0 40 HGAB CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3nnnn32)cc1OC 791375 ORWKNBLVFGXMLL-LJQANCHMSA-N 406.446 3.008 0 40 HGAB O=C(COCc1nc2ccccc2s1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 23995553 KDGMJOFJPCNURD-UHFFFAOYSA-N 423.538 3.092 0 40 HGAB COc1ccccc1Nc1ncccc1C(=O)N1CCN(C(=O)c2ccccc2)CC1 12589340 HVEYVVZIEWQDCY-UHFFFAOYSA-N 416.481 3.432 0 40 HGAB COc1ccccc1NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2C)CC1 24611382 JRPZRFJJKQRQNV-UHFFFAOYSA-N 402.516 3.184 0 40 HGAB CCCc1nn(-c2nc3ccccc3[nH]2)c(O)c1[C@@H]1CC(=O)N(c2ccccc2)C1=O 100069187 BUYMPSFDXRDWOB-HNNXBMFYSA-N 415.453 3.454 0 40 HGAB Cn1ccnc1CN1CCC(C(=O)Nc2cccc(-c3nc(C4CC4)no3)c2)CC1 55790070 RAQRZVKXLPPCRI-UHFFFAOYSA-N 406.490 3.198 0 40 HGAB Cc1ccc(Cn2nc(C)c3cc(C(=O)N(C)[C@H]4CCS(=O)(=O)C4)sc32)cc1 8340781 YJNZQBWACPROON-INIZCTEOSA-N 417.556 3.022 0 40 HGAB CC(C)CCn1c(=O)c2sccc2n(CC(=O)NCCC2=CCCCC2)c1=O 57426628 VTXDCZRSUXYTKE-UHFFFAOYSA-N 403.548 3.278 0 40 HGAB C[C@@H]1CN(CCCNC(=O)N(C)Cc2csc(Br)c2)C[C@@H](C)O1 57481382 UUCDHYIKTKUAKP-CHWSQXEVSA-N 404.374 3.151 0 40 HGAB Cc1ccc(NC(=O)Cn2c(=O)n(Cc3ccccc3F)c(=O)c3sccc32)cc1 57426715 UZGCEDHVDPWFFY-UHFFFAOYSA-N 423.469 3.359 0 40 HGAB CCCn1c(=O)c2sccc2n(CC(=O)Nc2ccc(Br)cc2)c1=O 57485830 XGBWFJVJUVAFEB-UHFFFAOYSA-N 422.304 3.036 0 40 HGAB CCCOC(=O)[C@H]1[C@@H]2C(=O)N([C@@H](C)c3ccc(Br)cc3)C[C@@]23C=C[C@H]1O3 100886297 FMFOZGYRCXMSOM-QWNWYNEWSA-N 420.303 3.245 0 40 HGAB CCn1c2ccccc2c2cc(NC(=O)N3CCC[C@H](NS(C)(=O)=O)C3)ccc21 58440817 HZIBTQYLEITONH-INIZCTEOSA-N 414.531 3.360 0 40 HGAB Cc1sc2nc(COC(=O)c3ccc(CN4CCCC4=O)cc3)nc(N)c2c1C 10536375 XVJMPVQOLGDJJY-UHFFFAOYSA-N 410.499 3.370 0 40 HGAB COC(=O)C1=C(C)N(c2ccc3c(c2)OCCO3)C(=O)N[C@H]1c1ccc(OC)cc1 12850141 IHJNVCNHTACZNO-FQEVSTJZSA-N 410.426 3.184 0 40 HGAB Cc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)N(C)Cc1nc2ccccc2c(=O)[nH]1 12917843 FOCNFCSUTSSLMR-BUHFOSPRSA-N 413.481 3.397 0 40 HGAB CNC(=O)[C@H]1CN(C(=O)c2cc(Cl)ccc2Br)c2ccccc2O1 12983459 DRUBBZFRYOHIFA-OAHLLOKOSA-N 409.667 3.256 0 40 HGAB Cc1ccc(S(=O)(=O)NC(=O)NCc2c(Cl)cccc2-n2ccnc2)cc1 4025632 HJKBBXKKUWEQCW-UHFFFAOYSA-N 404.879 3.022 0 40 HGAB Cc1cc(=O)oc2c3c(cc(OCC(=O)NCc4cccnc4)c12)OC(C)(C)CC3 4000480 UUMFHHHPSWLCAR-UHFFFAOYSA-N 408.454 3.295 0 40 HGAB biogenic COc1ccc(-c2nnc(SCC(=O)N3CCOCC3)n2-c2ccc(C)cc2)cc1 4211483 IHZHBBOOAUJYJI-UHFFFAOYSA-N 424.526 3.202 0 40 HGAB COc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccc(C)c(Cl)c3)CC2=O)cc1 13856501 VIIJTOOBRGDTOY-CQSZACIVSA-N 416.861 3.192 0 40 HGAB COCCCn1c(C(=O)N[C@@H]2CCCC[C@@H]2C)cc2c(=O)n3cccc(C)c3nc21 5243321 BAWCCJGOXNSHNZ-MAUKXSAKSA-N 410.518 3.303 0 40 HGAB CCOC(=O)Cn1c(=O)n(C2CCCCC2)c(=O)c2c3c(sc21)COC(C)(C)C3 5274489 JKENOQPOQHFHCC-UHFFFAOYSA-N 420.531 3.144 0 40 HGAB Cc1ccccc1C(=O)N1CCC(C(=O)N2CCN(c3ccccc3F)CC2)CC1 26936667 WKZZBJKPNIFEPU-UHFFFAOYSA-N 409.505 3.335 0 40 HGAB COc1ccc([C@@H]2N=C(Nc3ccc(F)cc3)Nc3nc(C)cc(=O)n32)c(OC)c1 6662246 DYSGFAQCQSESND-LJQANCHMSA-N 409.421 3.149 0 40 HGAB COc1ccc(C)cc1[C@@H]1c2c(C)nn(C)c2NC(=O)[C@H]1NC(=O)c1cccc(C)c1 6779656 RQSXGAYDVLPFQG-RTWAWAEBSA-N 418.497 3.237 0 40 HGAB CN(C)[C@@H](CNC(=O)CSc1nnc(-c2ccc(F)cc2)n1C)c1ccccc1 6913791 FTEKEPWAIVCDQM-SFHVURJKSA-N 413.522 3.132 0 40 HGAB COC(=O)c1ccc(NC(=O)COc2ncnc3ccc(Br)cc23)cc1 8883780 PIYTXAFIADPQHF-UHFFFAOYSA-N 416.231 3.196 0 40 HGAB COc1ccc(CN(c2ccc(C)cc2)S(=O)(=O)c2ccc3nncn3c2)cc1 67245784 JQZXHHOJCHBCRW-UHFFFAOYSA-N 408.483 3.442 0 40 HGAB C[C@@H]1CCc2onc(C(=O)NCCCN3CCN(c4cccc(Cl)c4)CC3)c2C1 20572077 VTMIOKUMBAQCQL-MRXNPFEDSA-N 416.953 3.395 0 40 HGAB COc1cc(C)c2[nH]c3c(c(=O)c2c1)CN(CC(=O)Nc1cccc(Cl)c1)CC3 67349894 JMQVNPNUHKQPHD-UHFFFAOYSA-N 411.889 3.495 0 40 HGAB CCOc1cccc([C@@H]2c3c(oc4cc(OC)ccc4c3=O)C(=O)N2CCN(C)C)c1 9328348 KSRLFTLCGFZYDI-OAQYLSRUSA-N 422.481 3.307 0 40 HGAB Cn1c(CNC(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)n[nH]c1=S 72313542 UQZPIQYTBKXSSS-UHFFFAOYSA-N 400.430 3.418 0 40 HGAB C[C@@H](NC(=O)c1ccc2c(=O)n(Cc3cccs3)c(=O)[nH]c2c1)c1ccc(F)cc1 72328359 NEHKMIUDEYQVTN-CYBMUJFWSA-N 423.469 3.430 0 40 HGAB O=C(CCC1CCCC1)NCC(=O)N[C@H](c1cccc(C(F)(F)F)c1)c1nc[nH]n1 97373316 YRLUBQBCDQSZLU-GOSISDBHSA-N 423.439 3.116 0 40 HGAB COc1ccc(-c2n[nH]c(SCC(=O)N3c4ccccc4NC(=O)C[C@@H]3C)n2)cc1 9647636 MPRLWGNONHRSFH-ZDUSSCGKSA-N 423.498 3.336 0 40 HGAB O=C(CS[C@H]1CCS(=O)(=O)C1)N1CC=C(c2cccc3ccccc23)CC1 84598289 CZTIVEWKKMEVTH-SFHVURJKSA-N 401.553 3.376 0 40 HGAB COc1ccccc1CNC(=O)/C(=C\c1ccco1)n1nnnc1-c1ccccc1 96814984 ZLQCGLMFXQWQNH-XMHGGMMESA-N 401.426 3.256 0 40 HGAB C[C@@H]1C[C@@H](NC(=O)COc2ccc(N3CCCC3=O)cc2)CCN1Cc1ccccc1 95408977 RIQLCABSCOHFIC-CTNGQTDRSA-N 421.541 3.362 0 40 HGAB NC(=O)c1ccc(N2CCCC2)c(NC(=O)c2cc(Cl)c3c(c2)OCCO3)c1 9905181 NRBANPURYQFZRR-UHFFFAOYSA-N 401.850 3.063 0 40 HGAB O=C(Nc1cccc(C(=O)N[C@@H]2CCN(C(=O)Nc3ccccc3)C2)c1)NC1CC1 554862245 BQPORPVJZMBMGJ-LJQANCHMSA-N 407.474 3.007 0 40 HGAB CC[C@H](C)NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1OC 408620100 JZVLIWVNBXNBME-HNNXBMFYSA-N 424.950 3.454 0 40 HGAB COc1ccc(CN(C)S(=O)(=O)c2ccc(C)c(C(=O)NCC(C)C)c2)cc1 408597574 ZKADQGXCUCQZCR-UHFFFAOYSA-N 404.532 3.210 0 40 HGAB CCCOC(=O)c1ccc(N2C[C@H](C(=O)OCC(=O)c3cccs3)CC2=O)cc1 408638578 SFZLGDNGHHCVNL-OAHLLOKOSA-N 415.467 3.094 0 40 HGAB COc1ccc(NC2=NC(=O)S/C2=C\c2ccc(OCC(N)=O)c(OC)c2)cc1 71285620 XMYXHVTVMTWLEC-YVLHZVERSA-N 413.455 3.286 0 40 HGAB COc1ccc(S(=O)(=O)NCC2CCN(c3nc4ccccc4o3)CC2)c(C)c1 70923924 GTOURWPFSFKAQI-UHFFFAOYSA-N 415.515 3.340 0 40 HGAB Cc1nn(C)cc1S(=O)(=O)N1CCC[C@@H](c2cccc(-c3ccc(F)cc3)n2)C1 72350136 LCYKGVSMHYTHQB-QGZVFWFLSA-N 414.506 3.498 0 40 HGAB COc1ccccc1OCCc1cc([C@H]2CCN(C(=O)c3scnc3C)C2)n[nH]1 72371523 PSCSVVAGKDZGPH-HNNXBMFYSA-N 412.515 3.434 0 40 HGAB CCOC(=O)c1cccc(Nc2c(C(=O)N3CCOCC3)cnc3nc(C)ccc23)c1 49004859 VUUGWXLONLIWJQ-UHFFFAOYSA-N 420.469 3.331 0 40 HGAB Cc1cccc(CNC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(C(C)(C)C)ccc3O2)c1 44912443 QPTSFUDMFPNILH-HXUWFJFHSA-N 416.543 3.136 0 40 HGAB CC(=O)c1cccc(NS(=O)(=O)c2nnc(NC(=O)c3ccccc3C)s2)c1 224405694 KLVBBZLNIFMBJE-UHFFFAOYSA-N 416.484 3.102 0 40 HGAB CCN(c1cc(OC)c(OC)cc1C(=O)OC)S(=O)(=O)c1ccc(OC)c(C)c1 224660711 ISYZJPQMYKFAGQ-UHFFFAOYSA-N 423.487 3.023 0 40 HGAB O=S(=O)(NC[C@](O)(c1ccsc1)c1cccs1)c1cccc2nsnc12 253400333 LDUOXFWVWXTSLL-INIZCTEOSA-N 423.566 3.029 0 40 HGAB CN(C(=O)c1cncc(N2CCCC2)n1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O 1633247289 WSIYFPIVIAVPOI-WMZOPIPTSA-N 407.301 3.114 0 40 HGAB CC(C)(C)[C@H]1CC[C@](O)(CN2CCOC[C@](O)(COc3cccc(F)c3)C2)CC1 585282228 CCJFJGCNWQSEGF-NMNUPHIUSA-N 409.542 3.235 0 40 HGAB O=C(NCc1ccccc1Cl)c1cnc(Nc2cc(C3CCNCC3)[nH]n2)s1 585263323 VSCAZWUIRXPZAJ-UHFFFAOYSA-N 416.938 3.660 0 40 HGAB COCCOc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3cc(C)cc(C)c3)C2)cn1 58441731 DKMYTBSFGPQEBL-SFHVURJKSA-N 411.502 3.215 0 40 HGAB O=C1N[C@@]2(COC3(CCN(C[C@@H]4CCC=CO4)CC3)C2)Nc2ccc(Cl)cc21 72325616 VCYHICKOYHAHDL-KKSFZXQISA-N 403.910 3.139 0 40 HGAB COc1ccc(Cl)cc1NC(=O)[C@H](C)Sc1nnnn1-c1ccc(O)cc1 5053542 MNHRZKXHRGMULT-JTQLQIEISA-N 405.867 3.149 0 40 HGAB CC(C)(CC(=O)O)CC(=O)N1C[C@@H]2C[C@H](C1)c1c(-c3cccs3)ccc(=O)n1C2 5437634 JSWAUVGEEPYTPD-LSDHHAIUSA-N 414.527 3.414 0 40 HGAB biogenic,in-vitro CCOC(=O)c1ccccc1NC(=O)[C@H](CC)N(c1ccc(F)cc1)S(C)(=O)=O 13715253 CWSYMQCALSWPOO-SFHVURJKSA-N 422.478 3.186 0 40 HGAB CC(C)[C@H](NC(=O)c1ccc2c(c1)C[C@H](C)O2)c1cc(=O)[nH]c(-c2ccccn2)n1 19497988 ALZIUNJOOPXMOE-QKKBWIMNSA-N 404.470 3.282 0 40 HGAB Cc1cc(C(=O)NCCn2ncc(-c3ccncc3)c2-c2cccs2)c(=O)[nH]c1C 19566812 ANYNQBRURFJCFI-UHFFFAOYSA-N 419.510 3.409 0 40 HGAB CNc1cc(CN(C)C(C)=O)nc([C@@H]2CCCN2Cc2ccnc3ccccc23)n1 19760453 YRUMLJNNCXHGBP-NRFANRHFSA-N 404.518 3.382 0 40 HGAB COc1ccc2c(c1)O[C@]1(C[C@H]3CC[C@H]1C[C@@H]3C(=O)N[C@H](C)c1ccccn1)NC2=O 100181891 QGCPTJCQAHVQQH-IKPDVZKXSA-N 421.497 3.222 0 40 HGAB CCc1cc(C(F)(F)F)n2nc([C@@H]3CCCN3C(=O)c3snnc3C)cc2n1 12230557 WMLNWIJZGLRCBJ-LBPRGKRZSA-N 410.425 3.448 0 40 HGAB CNC(=O)CN(C)C(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc12 9578423 YZLNWZBIXHRMRU-UHFFFAOYSA-N 412.287 3.482 0 40 HGAB C[C@]1(C2CCN(Cc3cccc(C(=O)O)c3)CC2)CN(Cc2ccccc2)C(=O)CO1 1848356896 KAGXUBOFHUURCD-RUZDIDTESA-N 422.525 3.415 0 40 HGAB O=C(Cc1ccc(F)cc1)N1CCC[C@@H](COc2ncc(Br)cn2)C1 1775995059 VJPBFIHQMCPBCY-CQSZACIVSA-N 408.271 3.238 0 40 HGAB O=C1NCCOCCCCN(Cc2ccc(Cl)cn2)CCOc2ccccc21 2037989006 QXHDKWVIYNZCTD-UHFFFAOYSA-N 403.910 3.156 0 40 HGAB CCOc1ccc([C@@H](c2sc3nc(CC)nn3c2O)N2CCN(CC)CC2)cc1 22578145 PZPFXHXHUDXZHY-SFHVURJKSA-N 415.563 3.184 0 40 HGAB CCOC(=O)c1c(NC(=S)NC(=O)c2ccc(C(=O)OC)cc2)sc(C)c1C 9404831 QVYPYADNLVVPEF-UHFFFAOYSA-N 420.512 3.455 0 40 HGAB Cc1ccc(-n2cnnc2SCc2ccc(S(=O)(=O)N(C)C)o2)cc1Cl 40116088 CDXOOZVUFYBNRE-UHFFFAOYSA-N 412.924 3.365 0 40 HGAB CCOc1ccc([C@@H]2CCCN2CC(=O)N(CCC(N)=O)c2ccc(F)cc2)cc1 32773046 NAWHXTYHZGMCPT-NRFANRHFSA-N 413.493 3.270 0 40 HGAB Cc1ccc(CC(=O)OCC(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C)C3)cc1C 2651192 USGBJWXUNULSLI-LBPRGKRZSA-N 414.527 3.313 0 40 HGAB O=C(CSc1nnc(COc2ccccc2)n1Cc1ccco1)NCc1ccco1 919671 TYVHUMIIWNNPJR-UHFFFAOYSA-N 424.482 3.500 0 40 HGAB CCN(CCNC(=O)CCn1cnc2sc(C)c(C)c2c1=O)c1cccc(C)c1 32895290 SINQNVNQLLLKHN-UHFFFAOYSA-N 412.559 3.416 0 40 HGAB COc1cc2cc[n+]3c(c2cc1OC)-c1c2cc(OC)c(OC)cc2cc[n+]1CC3 1564238 IWUJQICLIBAVAG-UHFFFAOYSA-N 404.466 3.283 0 40 HGAB CCCc1nnc(NC(=O)[C@@H]2CC(=O)N(CCc3c[nH]c4ccc(C)cc34)C2)s1 21785369 NBDXYCJZHVSSFW-OAHLLOKOSA-N 411.531 3.310 0 40 HGAB CC(C)CCNC(=O)COc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2)cc1 6325785 BJCVKKHNEDLQCE-QGZVFWFLSA-N 404.532 3.267 0 40 HGAB CC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)Nc2ccc(OC)cc2)cc1C 7361875 FYGLYNPCAPLUCK-HNNXBMFYSA-N 406.504 3.098 0 40 HGAB C[C@@H]1CC(=O)N(c2cccc(C(=O)N3CCCC[C@@H]3CN3CCCCCC3)c2)C1=O 100731263 JAHWVVIIDSJTOM-WIYYLYMNSA-N 411.546 3.457 0 40 HGAB COc1ccc(N([C@@H](C)C(=O)NC(C(C)C)C(C)C)S(C)(=O)=O)cc1Cl 10364419 IZMDUCHJVDEWDG-ZDUSSCGKSA-N 404.960 3.300 0 40 HGAB CCOc1ccccc1NC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OC)c(OC)c1 641232 HGXCQTDESVAZSJ-FQEVSTJZSA-N 411.458 3.369 0 40 HGAB CCn1c(=O)n(CC(=O)N2CCC[C@@H]2c2ccc(OC)cc2OC)c2ccccc21 23313188 NZAZVIDVAGIQPA-GOSISDBHSA-N 409.486 3.204 0 40 HGAB Cc1nc(-c2cccc(N[C@H](C)C(=O)Nc3ccc(S(N)(=O)=O)cc3)c2)cs1 12596638 YRKFXYSFJPFSOD-GFCCVEGCSA-N 416.528 3.205 0 40 HGAB COc1ccc(CN2C[C@@H](c3nccc(-c4ccc(C)cc4)n3)C(=O)NC2=O)cc1 1383272 ARHVVXHMLNUZBC-IBGZPJMESA-N 402.454 3.296 0 40 HGAB CSCC[C@@H]1C[C@H](C(=O)Nc2ccc(F)cc2)[C@@]2(N1)C(=O)N(C)c1ccccc12 106807995 APWAKIVXOCBAOL-RADWXHQJSA-N 413.518 3.367 0 40 HGAB O=C(NC1CC1)[C@H](Cc1ccccc1)NS(=O)(=O)c1cc(Cl)ccc1Cl 58141646 YQJHUTBJCRTWCB-INIZCTEOSA-N 413.326 3.162 0 40 HGAB O=C(NCc1ccc(N2CCCC[C@H]2CCO)nc1)c1cc(-c2ccccc2)[nH]n1 58061851 RJYILECLYCLWDN-IBGZPJMESA-N 405.502 3.143 0 40 HGAB C[C@@H]1CCN(C(=O)CN2CCC(CCN3CCOCC3)CC2)c2ccccc2S1 58161530 WIOAGRONJKKSSH-LJQANCHMSA-N 417.619 3.338 0 40 HGAB CCn1c(S[C@H]2CCCC2=O)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 12629104 YNXXQMMZSAHCJH-SFHVURJKSA-N 407.561 3.445 0 40 HGAB O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@@H]1CCC[C@H](C(F)(F)F)C1 58225110 VSIJQCUOCLXVDX-KGLIPLIRSA-N 420.453 3.015 0 40 HGAB CC(C)(C)NC(=O)CN1CCN(C(=O)Cc2coc3ccc4ccccc4c23)CC1 12694047 SZASBFZCQWYRMM-UHFFFAOYSA-N 407.514 3.187 0 40 HGAB COc1cccc(N(C)S(=O)(=O)c2cc(Cl)cc(Br)c2OC)n1 36392998 OWUCBBGRURUZRL-UHFFFAOYSA-N 421.700 3.340 0 40 HGAB CC(C)CCC[C@H](C)NC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1 12755079 MUYIHJHDVDZVBS-BZSNNMDCSA-N 410.580 3.429 0 40 HGAB COc1ccc(-n2nnnc2SCC(=O)c2ccc(Br)s2)cc1 3542305 CIEMYKBTUXLAOH-UHFFFAOYSA-N 411.306 3.470 0 40 HGAB Cc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)OCC(=O)NC(C)(C)C)c2)c1 3509997 HNQNDAHYJHRAPK-UHFFFAOYSA-N 418.515 3.176 0 40 HGAB Cc1ccc(C(=O)N[C@H]2C(=O)N/[N+](=C\c3ccc(F)cc3)[C@H]2c2ccccc2)cc1 409063607 AFOXKHJZUWXECS-WXUIRWOTSA-O 402.449 3.150 0 40 HGAB O=C(NCCN1C(=O)S/C(=C/c2ccc3c(c2)OCO3)C1=O)c1ccc(F)cc1 39478213 YAESKYOBVDRXKE-LICLKQGHSA-N 414.414 3.021 0 40 HGAB Cc1nnc(NC(=O)[C@@H]2CC(=O)N(CCc3c[nH]c4ccc(Cl)cc34)C2)s1 13944775 MQPJZQBHCOCMOQ-GFCCVEGCSA-N 403.895 3.011 0 40 HGAB CC/C(Nc1ccc(OC)cc1OC)=C1/C(=O)NC(=O)N(c2ccc(C)cc2)C1=O 9009268 RUUYPMWDOLWBJL-KNTRCKAVSA-N 409.442 3.371 0 40 HGAB CC(C)(C)OC(=O)N1Cc2ccccc2C[C@H]1C(=O)NCC1CCC(C(=O)O)CC1 5307546 DANDKJUNCIVIIX-RJYAGPCLSA-N 416.518 3.356 0 40 HGAB COc1ccc(OC)c(NC(=O)Cc2c(C)c3ccc(OC)c(OC)c3oc2=O)c1 5351294 PPJOHKUSZGAOQQ-UHFFFAOYSA-N 413.426 3.317 0 40 HGAB Cc1nc(-c2ccc(CNC(=O)[C@@H](C)N3C(=O)c4ccccc4C3=O)s2)cs1 14186109 QEODOCBJLZQCAX-LLVKDONJSA-N 411.508 3.481 0 40 HGAB CC(C)(C)OC(=O)N1CCC(C(=O)N2CCC[C@H]2C(=O)O)(c2ccccc2)CC1 5420039 QXJKIMJCUJGFTN-KRWDZBQOSA-N 402.491 3.031 0 40 HGAB Cc1ccccc1NC(=O)CSc1nnc([C@H](C)NC(=O)c2ccccc2)n1C 4689834 WQXDLJQFCSMLCE-HNNXBMFYSA-N 409.515 3.345 0 40 HGAB Cn1c(CC(=O)Nc2ccc(Cl)cc2)nnc1SCC(=O)NC1CCCCC1 4814667 PLFIPVJEYBXAET-UHFFFAOYSA-N 421.954 3.191 0 40 HGAB Cc1cc(N2CCN(Cc3nc4ccc(Cl)cc4c(=O)[nH]3)CC2)nc(C(C)C)n1 15033028 XPPRDABYBQRFMQ-UHFFFAOYSA-N 412.925 3.121 0 40 HGAB COc1ccc(OC)c(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cccc(C)c3)C2)c1 9226072 PJVOAJZUAFQFAL-INIZCTEOSA-N 418.515 3.052 0 40 HGAB C[C@]1(C2CC2)NC(=O)N(CC(=O)Nc2nc(-c3ccc4c(c3)CCCC4)cs2)C1=O 9416062 NFBTVTVYTZLXGW-JOCHJYFZSA-N 424.526 3.348 0 40 HGAB COC(=O)c1nc2n(n1)[C@@H](c1ccc(F)cc1)C(C(=O)OC1CCCCC1)=C(C)N2 17970759 MTXZJDPKENJPEV-KRWDZBQOSA-N 414.437 3.369 0 40 HGAB Cc1ccc(N2C[C@@H](C)Cn3c2nc2c3c(=O)n(Cc3ccccc3)c(=O)n2C)cc1 8652099 CAISBEHPCCMGOH-QGZVFWFLSA-N 415.497 3.041 0 40 HGAB Cc1nc2ncnn2c(C)c1CCC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 9690101 HMYHHDHDUBJQHI-LJQANCHMSA-N 421.501 3.199 0 40 HGAB CCOc1ccc(NC(=O)[C@@H](C)N2CCC[C@H](C(=O)Nc3ccc(C)cn3)C2)cc1 72308191 HPRPVFJLAFAMSV-MSOLQXFVSA-N 410.518 3.466 0 40 HGAB CCC1(CC)NC(=O)N(CC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)C1=O 9867767 VAWZZLJTPBYBLH-CQSZACIVSA-N 400.504 3.070 0 40 HGAB Cc1ccc2[nH]c(C(=O)N3CCN(S(=O)(=O)Cc4ccccc4)CC3)c(C)c2c1 89657484 XSFGUXAADVAELV-UHFFFAOYSA-N 411.527 3.073 0 40 HGAB O=C(CCc1ccc2c(c1)OCO2)N1N=C(c2ccc(F)cc2)C[C@@]1(O)C(F)(F)F 408563870 REGVENOBEPZEFG-LJQANCHMSA-N 424.350 3.375 0 40 HGAB COc1cc(C)c(S(=O)(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)c(C)c1 29047589 DWDRCTNKKXMCOJ-INIZCTEOSA-N 418.515 3.022 0 40 HGAB CCc1ccc(N(CC(=O)N[C@@H](CC)c2ccc(OC)cc2)S(C)(=O)=O)cc1 20455229 DEWPVWOSEYGUEQ-FQEVSTJZSA-N 404.532 3.291 0 40 HGAB Cc1nc2cc(NC(=O)Cn3nc(-c4ccc5c(c4)OCO5)ccc3=O)ccc2s1 56901039 HCBSZKWIZAGVTL-UHFFFAOYSA-N 420.450 3.196 0 40 HGAB COc1ccc([C@@H](C)NC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 20017835 DVICEWIIJKTFDN-OAHLLOKOSA-N 420.506 3.112 0 40 HGAB Cc1occc1C(=O)N1CCN(C)[C@@H](c2nnn3cc(-c4ccsc4)ccc23)C1 306129118 HUZMOCQQLHABFK-LJQANCHMSA-N 407.499 3.488 0 40 HGAB Cc1ccc(C)c(NC(=O)CSc2nnc(CNC(=O)c3ccccc3)n2C)c1 409169625 QIXBKJBNWOTSNS-UHFFFAOYSA-N 409.515 3.093 0 40 HGAB CCCCNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(OC)c(Cl)c1 408585276 YLGYQRYPGRWPEW-UHFFFAOYSA-N 424.950 3.456 0 40 HGAB COc1cc2c(cc1OC)-n1c(S(=O)(=O)Nc3cccc(Cl)c3)cnc1C2 32611961 KXLVAYGMODOZOH-UHFFFAOYSA-N 405.863 3.248 0 40 HGAB CCc1nnc(-c2ccc(OC)c(NC(=O)[C@@H]3CC(=O)N(C4CCCCC4)C3)c2)o1 36752247 KCAWDWGDISYCJC-OAHLLOKOSA-N 412.490 3.427 0 40 HGAB CCN1CCc2nc(-c3ccc(F)cc3)n(CC(=O)Nc3ccccc3C)c(=O)c2C1 62007150 LGMMCRIYNDAPSE-UHFFFAOYSA-N 420.488 3.375 0 40 HGAB COc1ccc([C@@H](C)NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1 219756488 IQGOKMCNVNUTSS-KUHUBIRLSA-N 422.934 3.379 0 40 HGAB CC(C)OCCCNC(=O)c1cn2c3c(cc(Br)cc3c1=O)C[C@H]2C 33089239 ZZTTZQLMKCERNH-GFCCVEGCSA-N 407.308 3.426 0 40 HGAB Cc1cc(OS(=O)(=O)c2ccc3[nH]c(=O)[nH]c(=O)c3c2)c(C(C)C)cc1Cl 40058344 RMVYIRHVQAMRBB-UHFFFAOYSA-N 408.863 3.069 0 40 HGAB CCN(c1ccc(C(=O)Nc2cc(C(=O)OC)ccc2C)cc1)S(=O)(=O)CC 222394322 VRXACLXOUGYNNJ-UHFFFAOYSA-N 404.488 3.210 0 40 HGAB CC(C)OC(=O)c1ccc(NCCO)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 223424762 SKRCVKQVLXSBTI-UHFFFAOYSA-N 412.895 3.110 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCC(C)CC3)C2)cc1Cl 47081014 LRNDUUORESKLGF-OAHLLOKOSA-N 414.955 3.008 0 40 HGAB C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)Nc1cccc(OC(F)(F)F)c1 40104646 HFRKOVOMRBDKGP-LLVKDONJSA-N 417.409 3.458 0 40 HGAB COc1cc(CN2CCN(C(=S)Nc3ccccc3)CC2)cc(OC)c1OC 225222813 FTBMIZFVRSCXTR-UHFFFAOYSA-N 401.532 3.227 0 40 HGAB Cc1ccc(C(=O)Nc2nc3ccccc3nc2N2CCCC2)cc1S(C)(=O)=O 44402320 GOOQNWOSAPTSNT-UHFFFAOYSA-N 410.499 3.194 0 40 HGAB CN(c1ccc(Cl)c(C(=O)NCc2ccncc2)c1)S(=O)(=O)c1ccccc1 224332810 VIJRINLKRWUBNU-UHFFFAOYSA-N 415.902 3.490 0 40 HGAB Cc1ccc(S(=O)(=O)N2CC[C@]3(C[C@@H]3C(=O)Nc3cccc(F)c3)C2)cc1F 96227268 FDNZPUABTONHLN-XLIONFOSSA-N 406.454 3.313 0 40 HGAB O=C(Cc1cccc(F)c1F)N1CCC2(CCOC[C@@H]2COc2cnccn2)CC1 585102951 JTIHNLXZPMOYBF-QGZVFWFLSA-N 417.456 3.022 0 40 HGAB O=C(OCc1ccccc1)N1CCC[C@@H](S(=O)(=O)N[C@@H]2CCc3ccccc32)C1 78876414 YBMKDDYMCUSUAF-TZIWHRDSSA-N 414.527 3.395 0 40 HGAB CCN(CC)CCCNC(=O)/C=C/c1ccc(S(=O)(=O)N2CCCCCC2)cc1 6052988 DDUCWAIUYBQSAX-NTCAYCPXSA-N 421.607 3.113 0 40 HGAB CCc1ccccc1N1C[C@@H](C(=O)OCC(=O)Nc2ccc(Cl)cc2)CC1=O 5037647 GZGHWOHTXWGCOV-HNNXBMFYSA-N 400.862 3.437 0 40 HGAB COc1ccc(C2(C(=O)N3CCC(n4nc(-c5ccoc5C)oc4=O)CC3)CC2)cc1 12182955 JVFGZEGVLXLPLM-UHFFFAOYSA-N 423.469 3.309 0 40 HGAB COC(=O)CNC(=O)C1(Cc2ccccc2-c2cc(F)ccc2OC)CCOCC1 12231540 UELLSXWPWWNUSU-UHFFFAOYSA-N 415.461 3.130 0 40 HGAB C[C@@H](NC(=O)COc1ccc(Br)cc1)c1ccc(S(C)(=O)=O)cc1 15197576 NDYBXVMZTVQBNK-GFCCVEGCSA-N 412.305 3.109 0 40 HGAB CN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)[C@H]2Cc3ccccc3O2)cc1 15611030 GPFLUNFPXFYULW-JOCHJYFZSA-N 422.506 3.450 0 40 HGAB CCC(CC)C(=O)N1CCO[C@@](Cc2ccc(-c3cccnc3)cc2)(C(=O)N(C)C)C1 19500213 YZPUROAOAREZOC-RUZDIDTESA-N 423.557 3.413 0 40 HGAB CNc1cc([C@@H]2CC(=O)N(Cc3ccccc3)C2)nc(CN(C)C(=O)CC(C)(C)C)n1 19700935 IBGDOVXMEXMXAV-GOSISDBHSA-N 423.561 3.429 0 40 HGAB CCOc1cccc2sc(NC(=O)CN3C(=O)NC4(CCC(C)CC4)C3=O)nc12 19715355 UBBSWOFHAWBYFF-UHFFFAOYSA-N 416.503 3.134 0 40 HGAB Nc1nc(N2CCCC2)nc2c1[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)CC(=O)N2 19974111 WNHNUTVWJFRYCT-GFCCVEGCSA-N 421.288 3.030 0 40 HGAB CCC(=O)N1CC[C@H]2CCC[C@@H](CN(C(=O)c3ccnn3C)Cc3ccccc31)N2C 643577263 CLKCNOVVSXCQLQ-UXHICEINSA-N 423.561 3.062 0 40 HGAB Cc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)Nc3cccnc3)cc2)cc1 6025083 HHKWCUKIIOVGSD-UHFFFAOYSA-N 411.483 3.233 0 40 HGAB O=C(NCC(=O)N1CCC[C@H](c2ncc(Cc3ccccc3)o2)C1)c1ccccc1 1848353259 ANVLSFWEUQCNDC-FQEVSTJZSA-N 403.482 3.401 0 40 HGAB CC(=O)c1ccc(N2CCN(C(=O)C(=O)c3c(C)n(C)c4ccccc34)CC2)cc1 4062680 YOOCATWFUMWHHQ-UHFFFAOYSA-N 403.482 3.221 0 40 HGAB COc1ccc(C2=NN(C(C)=O)[C@H](c3cc(OC)c(OC)c(OC)c3)C2)cc1OC 4511404 JPOWBMDKZKQAEG-KRWDZBQOSA-N 414.458 3.427 0 40 HGAB Cc1ccc(NC(=O)CSc2nc(=O)n(CCN(C)C)c3c2CCCC3)c(C)c1 5254396 XAOBLNCBWPSYRW-UHFFFAOYSA-N 414.575 3.031 0 40 HGAB CCOc1cc(C(=O)N2c3ccccc3C[C@@H]2C(=O)NC)cc(OCC)c1OCC 10255872 IGQMWSKKIWMDSO-GOSISDBHSA-N 412.486 3.200 0 40 HGAB Cc1nc(-n2nc(-c3ccco3)cc2NC(=O)c2ccc(F)c(F)c2)[nH]c(=O)c1C 12008202 FHHHPINIDQTROV-UHFFFAOYSA-N 411.368 3.363 0 40 HGAB Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H](C(=O)C(C)(C)C)N2N=Cc4ccccc4[C@@H]32)cc1 9358372 FFSUGNKQQRZUEM-WOZUAGRISA-N 415.493 3.489 0 40 HGAB Cc1cccc(NC(=O)CSC2=N[C@@H](c3c[nH]c4ccccc34)NC(N)=N2)c1C 13579090 LNAYSNNCRYWYLD-IBGZPJMESA-N 406.515 3.429 0 40 HGAB Cc1cccc(N2CCN(CC[C@H](C)NS(=O)(=O)c3ccccc3F)CC2)c1 30440049 FSMMYNARNAOKNS-SFHVURJKSA-N 405.539 3.013 0 40 HGAB COc1cc2c(cc1OC)CN(C(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)CC2 31239130 LPTNUCSJSXOWRA-MRXNPFEDSA-N 404.507 3.236 0 40 HGAB CCN(CC)CCN1C(=O)c2ccccc2N2C(=O)c3c(ccc(OC)c3OC)[C@@H]12 2118415 SLICQNPSYDKJJL-NRFANRHFSA-N 409.486 3.160 0 40 HGAB biogenic COCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccc(C(=O)OC)cc1 2227962 FUNRIEUWQOZGOI-IBGZPJMESA-N 407.422 3.161 0 40 HGAB O=C(c1cccc(Cl)c1)c1nnc(-c2cccc(S(=O)(=O)N3CCCC3)c2)o1 3215379 YMRZWHPRUCROOF-UHFFFAOYSA-N 417.874 3.406 0 40 HGAB CCOC(=O)Cc1cc(CC(=O)OCC)c(NC(=O)OCC)cc1NC(=O)OCC 3845098 SPHASPIVAKLJNJ-UHFFFAOYSA-N 424.450 3.035 0 40 HGAB biogenic CCCN(CC1CC1)C(=O)CN1C(=O)N[C@](C)(c2ccc(Cl)cc2Cl)C1=O 4513705 USCKTRTUPXPABL-LJQANCHMSA-N 412.317 3.409 0 40 HGAB CCCCOc1ccc(C(=O)Oc2coc(CSc3nncn3C)cc2=O)cc1 4518861 TWPFAKTXFMOEFS-UHFFFAOYSA-N 415.471 3.459 0 40 HGAB C[C@H](CC(=O)NCCc1ccccc1)CC(=O)N1CCN(c2ccccc2F)CC1 4678018 BVYXXLDINDKXPU-LJQANCHMSA-N 411.521 3.250 0 40 HGAB Cc1cccc(NC(=O)CSc2nc(=O)n(CCCN(C)C)c3c2CCC3)c1C 4851826 GOPGETNBVFDZCI-UHFFFAOYSA-N 414.575 3.031 0 40 HGAB CCCCOc1ccc(NC(=O)C[S@@](=O)CC(=O)Nc2ccc(OC)cc2)cc1 4906816 XANCRNMUHMFKRT-GDLZYMKVSA-N 418.515 3.200 0 40 HGAB O=C(c1ccc(F)cc1)[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@H]2CCCN12 5338795 IPYORVPWOXDUSZ-MKXGPGLRSA-N 412.848 3.314 0 40 HGAB Cn1c(SCC(=O)NC(=O)NC(C)(C)C)nnc1-c1ccc(C(C)(C)C)cc1 5856204 WTIDOJMCCCDFBH-UHFFFAOYSA-N 403.552 3.496 0 40 HGAB CCOc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)CC)c2ccc(F)cc2)cc1 6223998 ZEMZDORHRXLOHL-OAHLLOKOSA-N 408.495 3.334 0 40 HGAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)OC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 6609341 IKMPQJFZPUHJAH-AWEZNQCLSA-N 414.483 3.155 0 40 HGAB COc1ccc(NC(=O)CSc2nc3ccccc3nc2N2CCOCC2)cc1 6721239 MWRGQAMZCDTUAW-UHFFFAOYSA-N 410.499 3.206 0 40 HGAB CCOc1ccc(CC(=O)Nc2ccc(S(=O)(=O)NCc3ccco3)cc2)cc1 6879538 JUFYKOZFXQYYBI-UHFFFAOYSA-N 414.483 3.338 0 40 HGAB CN1CCCN(C(=O)c2ccc(N3CCCC3=O)cc2)c2nc3ccccc3nc21 7003975 SBSAVFQHJCUGFW-UHFFFAOYSA-N 401.470 3.243 0 40 HGAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)NCc1ccc(N2CCCC2=O)cc1 7491737 HQGWTJDUXDITAI-JOCHJYFZSA-N 403.482 3.394 0 40 HGAB CC(=O)c1cc2c(cc1NC(=O)[C@@H]1CC(=O)N([C@@H]3CCC[C@@H](C)[C@H]3C)C1)OCO2 7985829 DKJSMKFLZRQUBS-HOPMXRPOSA-N 400.475 3.230 0 40 HGAB C[C@@H](Sc1nnnn1C1CCCC1)C(=O)N1c2ccccc2NC(=O)C1(C)C 8314951 GYPMYOYVWPQKPL-GFCCVEGCSA-N 400.508 3.033 0 40 HGAB COc1ccc(CCNC(=O)CCCN(c2ccc(Cl)cc2)S(C)(=O)=O)cc1 8481263 WWOUKEPOXDJRMW-UHFFFAOYSA-N 424.950 3.254 0 40 HGAB O=C(N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)[C@@H]1CCCN1C1=NS(=O)(=O)c2ccccc21 9155875 DXHAXBNQQGPFON-FAJBIJEISA-N 415.559 3.075 0 40 HGAB COc1ccc(NC(=O)C(=O)Nc2nc3ccccc3s2)cc1N1CCCC1=O 9317822 MSAGZWPGSILCOC-UHFFFAOYSA-N 410.455 3.009 0 40 HGAB C[C@@H](NC(=O)c1cccc(N2CCCS2(=O)=O)c1)c1ccccc1Br 10139933 IIYRBVVVRXAJRT-CYBMUJFWSA-N 423.332 3.480 0 40 HGAB C[C@H]1CCCN(C(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(C)(=O)=O)C1 10541408 CCGSUUMFTWQFHL-NSHDSACASA-N 412.861 3.383 0 40 HGAB CC(C)c1ccc(NC(=O)CN(C)CC(=O)N2c3ccccc3NC(=O)C[C@H]2C)cc1 11067651 NEBWIALKJXPBME-QGZVFWFLSA-N 422.529 3.444 0 40 HGAB O=C1NC2(CCN(C(=O)c3cc(-c4ccc(F)cc4)on3)CC2)Nc2ccccc21 12117928 NRHPRHQPGPIFPO-UHFFFAOYSA-N 406.417 3.269 0 40 HGAB CC(=O)N1c2ccc([C@@H](O)CN3CCC(O)(c4ccccc4C)CC3)cc2C[C@H]1C 12146837 KLVMYAZBIBJBJQ-KOSHJBKYSA-N 408.542 3.310 0 40 HGAB O=C(CN1CCC[C@@H](n2c(=O)oc3ccc(Cl)cc32)C1)NCCc1ccccc1 12184557 IHJXEGFQEIYBSH-GOSISDBHSA-N 413.905 3.244 0 40 HGAB COc1ccc(OC)c(CC(=O)N2CCC(c3noc(-c4ccncc4)n3)CC2)c1 12328061 YCNNQJNCLPXEPS-UHFFFAOYSA-N 408.458 3.098 0 40 HGAB COc1cccc(CC(=O)N2CCC[C@@H](c3nc4ccc(F)cc4cc3C(N)=O)C2)c1 12329630 XQDQVSWXGWHGNG-MRXNPFEDSA-N 421.472 3.430 0 40 HGAB COc1ccc(C(=O)C2CCN(C(=O)[C@H]3CC(=O)N(Cc4ccccc4)C3)CC2)cc1 12740120 GMCCLPUDGUWVMI-NRFANRHFSA-N 420.509 3.165 0 40 HGAB CC(=O)Nc1ccc(NC(=O)CSc2nnnn2-c2cccc3c2CCCC3)cc1 13561705 CIKXXJKZEOOWLQ-UHFFFAOYSA-N 422.514 3.230 0 40 HGAB CCCOc1ccc(S(=O)(=O)Nc2ccc(CC(=O)N3CCCC3)cc2)cc1 13848811 QVWHXYRTMMPPFE-UHFFFAOYSA-N 402.516 3.441 0 40 HGAB CCOC(=O)c1c(NC(=O)[C@@H](C)N2C[C@H](C)O[C@H](C)C2)sc2c1CC[C@H](C)C2 14014083 CJWNNNIRFKIZOX-BYNSBNAKSA-N 408.564 3.486 0 40 HGAB Cc1c(NC(=O)c2nn(-c3ccc(F)cc3)c3c2CCCC3)cccc1-n1cnnn1 14197438 AEEPOTWUWSFCGX-UHFFFAOYSA-N 417.448 3.427 0 40 HGAB C[C@H](NC(=O)COc1ccc(Br)cc1)c1ccc(S(C)(=O)=O)cc1 15197578 NDYBXVMZTVQBNK-LBPRGKRZSA-N 412.305 3.109 0 40 HGAB Cc1cccc(OC[C@H](O)CN2C(=O)N[C@@](C)(c3ccc4ccccc4c3)C2=O)c1 15236739 BJLHCSKEVUZFRP-YKSBVNFPSA-N 404.466 3.355 0 40 HGAB Cc1ccn2c(=O)cc(COc3ccc(NS(=O)(=O)c4ccccc4)cc3)nc2c1 15865488 TUNAMZXUERHXHU-UHFFFAOYSA-N 421.478 3.383 0 40 HGAB Cc1ccc(S(=O)(=O)N(C[C@@H](O)CNCc2ccco2)c2ccc(F)cc2)cc1 16839644 CTHWBGLHCAIOBR-IBGZPJMESA-N 418.490 3.073 0 40 HGAB COc1cc(OC)c(N2C(=O)C[C@@H](Sc3ccccc3C(=O)O)C2=O)cc1Cl 17084775 JFMIWUMTSHOLAC-MRXNPFEDSA-N 421.858 3.480 0 40 HGAB O=C(c1ccncc1)N1CCC[C@@H](c2cc3nc(C(F)(F)F)ccc3c(=O)[nH]2)C1 19341796 MPWLLDSUVCBHGK-CYBMUJFWSA-N 402.376 3.357 0 40 HGAB COc1ccc(-c2cc3nc([C@H](C)NC(=O)[C@@H]4CCC[C@@H](OC)C4)nn3cn2)cc1 19574380 DAPRARFVTOPTAE-YXJHDRRASA-N 409.490 3.182 0 40 HGAB CNc1ncccc1CN1CCC(Cc2ncncc2C(=O)NC2CCCC2)CC1 19757185 IYANJZWOGXHSAH-UHFFFAOYSA-N 408.550 3.040 0 40 HGAB OCc1ccc(OCCN2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cc1 20366431 SIPYHNQRYNWXMJ-UHFFFAOYSA-N 415.843 3.447 0 40 HGAB CC(C)Oc1ccc(NC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cc1 20459506 QMIORRYWPJGRNU-GOSISDBHSA-N 424.906 3.293 0 40 HGAB CC(C)c1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCCCC4)nc(N)c32)cc1 20673981 CEUYTDTZFBAICT-MRXNPFEDSA-N 408.506 3.237 0 40 HGAB COc1ccc2c(COC(=O)CCNC(=O)c3ccccc3Cl)cc(=O)oc2c1 21195446 RNZOIABQYGMGBO-UHFFFAOYSA-N 415.829 3.318 0 40 HGAB CC(=O)c1ccc(OC[C@H](O)CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1 22030623 ANFQGFDMBBGCAT-OAQYLSRUSA-N 402.922 3.100 0 40 HGAB COc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2C(=O)NC2CCCCCCC2)c1 22230275 FPDUYNQWYZIVIS-IBGZPJMESA-N 408.564 3.386 0 40 HGAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](C)c2ccc(F)cc2)cc1C 22271950 WQWWQYCDWZTBLR-HNNXBMFYSA-N 408.495 3.031 0 40 HGAB CC(=O)Nc1ccc(NC(=O)C[C@H]2CCCCN2S(=O)(=O)c2cccs2)cc1 22732547 BMEPDWYWVXXMIR-QGZVFWFLSA-N 421.544 3.279 0 40 HGAB CSc1cccc(N2C[C@@H](C(=O)NCc3ccccc3Cn3cccn3)CC2=O)c1 24623729 QOSAAULWJYLFGY-IBGZPJMESA-N 420.538 3.323 0 40 HGAB CSc1ccc(N2C[C@@H](C(=O)N3CCN(Cc4cccs4)CC3)CC2=O)cc1 25462852 SQQWQRYGXZIZMN-INIZCTEOSA-N 415.584 3.167 0 40 HGAB CS(=O)(=O)N1CCCC[C@H]1C(=O)Nc1cccc(C2SCCCS2)c1 26069100 BUBGCFVNMWENBI-HNNXBMFYSA-N 400.591 3.308 0 40 HGAB Cc1ccc(SCCNC(=O)NCc2cccnc2N2CCOCC2)cc1C 26386513 LCDKPCFZPZBKNN-UHFFFAOYSA-N 400.548 3.127 0 40 HGAB CCc1ccc(O)c(-c2cc(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)[nH]n2)c1 27663698 PBYRCGSOKBBXMQ-UHFFFAOYSA-N 417.469 3.395 0 40 HGAB CCOC(=O)c1cc(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)ccc1Cl 30860300 LOBKIQZXOKLXBD-UHFFFAOYSA-N 422.890 3.444 0 40 HGAB C[C@H]1Cc2ccccc2N1C(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1 31662641 SWLBQZSYWOXKML-ZDUSSCGKSA-N 423.332 3.047 0 40 HGAB COc1ccc(-c2csc(NC(=O)[C@@H]3CS[C@@]4(C)CCC(=O)N34)n2)cc1F 32738448 IBLGVTODGMXQPC-UGSOOPFHSA-N 407.492 3.350 0 40 HGAB CC(C)[C@H](NC(=O)Nc1ccccc1)C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 32808967 SHMXZXFJXIGWQG-BEFAXECRSA-N 417.531 3.114 0 40 HGAB Cc1cc(Br)ccc1NC(=O)C1=NN(c2ccccc2)C(=O)[C@H](C)N1 32809953 WWXBRYAHGOAWQX-LBPRGKRZSA-N 401.264 3.034 0 40 HGAB CN(Cc1nc2ccccc2n1C(F)F)C(=O)CCN1C(=O)c2ccccc2C1=O 32903357 BFSSAJPWVCKWDU-UHFFFAOYSA-N 412.396 3.076 0 40 HGAB Cc1nc(NC(=O)CCNS(=O)(=O)c2ccccc2C(F)(F)F)sc1C 32983747 YCYPBHASQUWKRP-UHFFFAOYSA-N 407.439 3.086 0 40 HGAB O=C(O)/C=C/c1ccc2c(c1)OCCSCCOCCOCCSCCO2 34574079 MBVFSCCDRXWZIG-DUXPYHPUSA-N 414.545 3.055 0 40 HGAB CCN(CC)C(=O)Cn1nc2c(Oc3cccc(C)c3C)nc3ccccc3n2c1=O 35425300 UAPMOOYAHDFYEW-UHFFFAOYSA-N 419.485 3.322 0 40 HGAB NC(=O)c1ccc(NC(=O)[C@H]2CC(O)=Nc3c(-c4ccc(Cl)cc4)cnn32)cc1 35684759 QUWUFUWBFWGRGP-MRXNPFEDSA-N 409.833 3.474 0 40 HGAB Cc1ccc(NC(=O)CS[C@H](C)C(=O)N(C)C[C@@H]2COc3ccccc3O2)cc1 36752002 QZPQQDJISSUQJB-SJLPKXTDSA-N 414.527 3.354 0 40 HGAB CC(C)NC(=O)N1CCC[C@@H](C(=O)NCc2cccc(OCC(F)(F)F)c2)C1 40111904 OIHBDKAOYXZWNS-OAHLLOKOSA-N 401.429 3.074 0 40 HGAB COc1ccc(N(CC(=O)N[C@H](CC(C)C)c2ccccc2)S(C)(=O)=O)cc1 44902782 ZITCIKQOADMRQO-HXUWFJFHSA-N 404.532 3.365 0 40 HGAB CCN1CCN(Cc2ccc(NC(=O)CSCc3csc(C)n3)cc2)CC1 46939340 NBRSOKYWOSQSOI-UHFFFAOYSA-N 404.605 3.461 0 40 HGAB CCc1ccc(Oc2cc(N3CCC(C(=O)NC[C@H]4CCCO4)CC3)ncn2)cc1 49401967 UVOABQHDVVOMFA-HXUWFJFHSA-N 410.518 3.343 0 40 HGAB Cc1cccc(C(=O)NC2CCN(C(=O)c3cn(-c4cccc(Cl)c4)nn3)CC2)c1 49406190 BWJXSNNRAAMLLX-UHFFFAOYSA-N 423.904 3.264 0 40 HGAB O=C(NC1CC1)C1CCN(c2nc3c(-c4ccccc4F)csc3c(=O)[nH]2)CC1 49421054 JUKLTINPEUPCSN-UHFFFAOYSA-N 412.490 3.286 0 40 HGAB CCN(C[C@H]1COc2ccccc2O1)C(=O)c1nn(C(C)C)c(=O)c2ccccc12 49940872 DHFRPHYDUIYEFM-INIZCTEOSA-N 407.470 3.280 0 40 HGAB Cc1cc(C)c(NC(=O)[C@H]2CCN(S(C)(=O)=O)c3cc(C)ccc3O2)c(C)c1 64988646 OFSPGFPUZRFAFQ-LJQANCHMSA-N 402.516 3.476 0 40 HGAB CCc1cccc(C)c1NC(=O)[C@H]1CCN(S(C)(=O)=O)c2cc(C)ccc2O1 64988656 MACSROLHQXOIFB-LJQANCHMSA-N 402.516 3.422 0 40 HGAB O=C(CN1CCN(c2cc(F)cc(F)c2)CC1)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 65492697 VOYQLUMNQPIZCP-CZUORRHYSA-N 405.411 3.324 0 40 HGAB Cc1cc2nc(SCC(=O)NCc3ccccc3)n(-c3ccccc3)c(=O)c2[nH]1 67236603 SWBJIZVQLVREEM-UHFFFAOYSA-N 404.495 3.431 0 40 HGAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)N1CCC[C@H](c2ccncn2)C1 69415629 DUUUXLBPBDAPAZ-OALUTQOASA-N 404.518 3.486 0 40 HGAB CC(C)(C)c1csc(NC(=O)CN2C(=O)[C@@H]3CCCN3C(=O)c3ccccc32)n1 72325321 IGGBGSLMFVVKAF-HNNXBMFYSA-N 412.515 3.031 0 40 HGAB biogenic Cc1sc2nc(C(C)C)n([C@@H]3CCCN(CC(=O)NCC4CC4)C3)c(=O)c2c1C 72347708 PAZKUBXOVUMCEM-QGZVFWFLSA-N 416.591 3.361 0 40 HGAB O=C(c1ccccn1)N1CC[C@H](c2c(C(=O)N3CCOCC3)sc3ccccc23)C1 72352217 XKRCZMKKXLHUKE-INIZCTEOSA-N 421.522 3.398 0 40 HGAB O=C(NCC1([C@@H](O)c2ccccc2)CC1)[C@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 89825936 LWBSKLMSPXABGZ-REWPJTCUSA-N 424.516 3.237 0 40 HGAB Cc1nc(-c2ccccc2Cl)sc1CNC(=O)Cn1cnc(C)c(C)c1=O 90593289 ADTQMKNRBUIRSE-UHFFFAOYSA-N 402.907 3.262 0 40 HGAB CN1CCO[C@@H]([C@H](NC(=O)c2c(Cl)nc3ccccn23)c2ccc(Cl)cc2)C1 95451949 OYXYCKZXYSMSHV-NVXWUHKLSA-N 419.312 3.443 0 40 HGAB O=C1N[C@]2(CCc3ccccc32)C(=O)N1CC(=O)N1CCC[C@H]1/C=C/c1ccccc1 96002277 XCGFOHSGNXOEDO-ASSPCCAUSA-N 415.493 3.084 0 40 HGAB O=C(CN1CCN(Cc2ccc(Cl)cc2Cl)CC1)Nc1cccc2nonc12 96465821 GZZGSUYHVJACRH-UHFFFAOYSA-N 420.300 3.286 0 40 HGAB CN(C1CCCCC1)S(=O)(=O)c1ccccc1NS(=O)(=O)c1ccccc1 96997099 AXIFQHJJNLBKBA-UHFFFAOYSA-N 408.545 3.441 0 40 HGAB COc1cc(/C=C2\SC(=O)NC2=O)ccc1O[C@H](C)C(=O)N1CCC(C)CC1 98086444 QCZBTWHWCZXBLG-GPLLRDDGSA-N 404.488 3.045 0 40 HGAB COc1ccc(-c2cc(N3CCN(C(=O)c4ccc(OC)c(OC)c4)CC3)[nH]n2)cc1 98212518 NKNAQMDFBQIDPG-UHFFFAOYSA-N 422.485 3.065 0 40 HGAB CCOc1ccc([C@@H]2C3=C(O)c4ccccc4C3=Nc3c2c(=O)n(C)c(=O)n3C)cc1 100744706 QPCMKGGXRUVGDR-QGZVFWFLSA-N 415.449 3.032 0 40 HGAB biogenic CCOCCCn1c(=O)[nH]c2ccccc2/c1=N\C(=O)Nc1c(F)cccc1F 101113752 PRHOWKBHEJUDSX-XIEYBQDHSA-N 402.401 3.167 0 40 HGAB COc1ccc(N2C(=O)[C@@H]3N=NN(Cc4ccc(Cl)cc4)[C@H]3C2=O)cc1Cl 101169229 GXJBAEVXEWZFHZ-HZPDHXFCSA-N 405.241 3.495 0 40 HGAB Cc1[nH]n(-c2nc3ccccc3s2)c(=O)c1[C@H]1CC(=O)N(c2ccc(F)cc2)C1=O 102716214 ZASFLYPBFPIUCE-CQSZACIVSA-N 422.441 3.270 0 40 HGAB CCc1ccccc1O[C@@H](C)C(=O)NCc1nc(-c2ccc(OC)cc2OC)no1 219296497 YEXJTNJKUUIDJJ-AWEZNQCLSA-N 411.458 3.400 0 40 HGAB COc1ccc(-c2noc(CNC(=O)[C@H](C)Oc3ccc(C)c(C)c3)n2)c(OC)c1 219521569 PYFJTQZTKJJIQR-HNNXBMFYSA-N 411.458 3.454 0 40 HGAB Cc1ccc(SCCNC(=O)[C@@H](C)N(c2cccc(F)c2)S(C)(=O)=O)cc1 220468023 FQSRSMASBDTRND-OAHLLOKOSA-N 410.536 3.197 0 40 HGAB CCN(c1ccc(C(=O)NCCOc2ccc3ccccc3c2)cc1)S(C)(=O)=O 223612657 RCKARNOBDFAXDS-UHFFFAOYSA-N 412.511 3.435 0 40 HGAB CCOc1ccc(-c2noc(CNS(=O)(=O)Cc3ccccc3Cl)n2)cc1 223627591 QAFTYWGQQHJKRE-UHFFFAOYSA-N 407.879 3.408 0 40 HGAB CNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CCc1ccc2c(c1)OCO2 225407855 DCCIJMWUCZSIFI-CQSZACIVSA-N 402.878 3.165 0 40 HGAB O=C(NCCCc1ccc(Cl)cc1)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 225510542 FJEMEUGQTDAVOG-GOSISDBHSA-N 420.962 3.490 0 40 HGAB C[C@H](CCc1ccccc1)NS(=O)(=O)c1nnc(NC(=O)c2ccccc2)s1 225775222 LNOFLIJROAPZLH-CQSZACIVSA-N 416.528 3.090 0 40 HGAB CCOC(=O)C1CCN(C(=O)c2snnc2-c2ccc(Br)cc2)CC1 225785143 AQNLABVIUGYOEB-UHFFFAOYSA-N 424.320 3.383 0 40 HGAB Cc1ccc(C)c(S(=O)(=O)N(CCc2ccccc2)CC(=O)N2CCCC2)c1 225941954 JHAOETNNFMPTQM-UHFFFAOYSA-N 400.544 3.159 0 40 HGAB S=C(Nc1nc(N2CCCCCC2)cc(N2CCOCC2)n1)NC1CCCCC1 226008206 RWTYDCKCVPRPBV-UHFFFAOYSA-N 418.611 3.313 0 40 HGAB CC[C@H](Oc1cccc(OC)c1)C(=O)N1[C@H]2CC[C@H]1c1cnc3cc(C)nn3c1C2 248342353 XWQXYHPONSFDKI-ZRCAFCQKSA-N 406.486 3.492 0 40 HGAB C[C@@H]1CCCN(c2ncc(C(=O)NCc3cccc(OC[C@H]4CCCO4)c3)cn2)C1 253603163 BPRUBLUHAANPHU-DYESRHJHSA-N 410.518 3.201 0 40 HGAB Cc1cc(C(=O)N2[C@H](Cc3ccccc3)[C@@H]3C[C@@]4(C)[C@H](CCC[C@@H]24)N3C)nc(O)n1 257245102 IOBNYTWBYPUZMV-ZTGMJEERSA-N 406.530 3.189 0 40 HGAB Cc1ccccc1CC(=O)N1CC[C@H](Oc2ccc(Cl)cc2)[C@@H](CC(N)=O)C1 257319573 VTBXGHSDMZZKDZ-PXNSSMCTSA-N 400.906 3.362 0 40 HGAB CC(=O)Nc1cccc(NC(=O)CCCN(c2cccc(Cl)c2)S(C)(=O)=O)c1 408682583 ZMUGDBMPTKSEOG-UHFFFAOYSA-N 423.922 3.483 0 40 HGAB CCOCCCNC(=O)c1ccc(N(Cc2ccccc2Cl)S(C)(=O)=O)cc1 409118364 PHUIYMVQZRYDJW-UHFFFAOYSA-N 424.950 3.463 0 40 HGAB CCc1cccc2c(/C=C3\SC(=O)NC3=O)cn(CC(=O)NCc3ccco3)c12 409143147 ZHSYBXMXAMGTCM-MFOYZWKCSA-N 409.467 3.437 0 40 HGAB CC(C)(C)NC(=O)COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 409391284 MKLAQZGVLWRMCY-UHFFFAOYSA-N 402.516 3.122 0 40 HGAB COc1cccc2nc(C[C@H]3CN(C(=O)CC(C)(C)C)CC[C@H]3CC(=O)O)[nH]c12 514288417 DLLMWZHMRFYBPW-GJZGRUSLSA-N 401.507 3.490 0 40 HGAB biogenic,in-vitro CC(C)NC(=O)N1CC[C@@](C)(O)[C@@H](NC(=O)c2ccccc2)[C@@H]1c1cccs1 604383053 AUPSNZDXCUJCHB-BBTUJRGHSA-N 401.532 3.163 0 40 HGAB biogenic,in-vitro CCC(=O)N1CCC2(CCCCOCCN(C)C(=O)c3ccccc3OC2)CC1 643580085 QCJSYMABYIXMGE-UHFFFAOYSA-N 402.535 3.357 0 40 HGAB O=C(N=c1cc[nH]cc1)c1nc2c(s1)CCN(Cc1ccc(F)c(F)c1)CC2 1204225104 TZFLDJSKGOKKHH-UHFFFAOYSA-N 400.454 3.091 0 40 HGAB COCc1cn(C2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(Br)cc2F)nn1 1888866572 QVACJJVTMOFSGV-YIONKMFJSA-N 423.286 3.334 0 40 HGAB CN(c1ccccn1)C1CCN(S(=O)(=O)c2ccccc2Br)CC1 1889205701 NSFTXFJCTXLPTE-UHFFFAOYSA-N 410.337 3.134 0 40 HGAB CC[C@@H](OC(=O)c1nn(-c2ccccc2)c(C)cc1=O)C(=O)Nc1ccc(F)cc1 32850463 NZVCTCJYMCEHRU-LJQANCHMSA-N 409.417 3.254 0 40 HGAB COc1ccc(-n2c(CNc3ccc(C)c(Cl)c3)nnc2SCC(N)=O)cc1 900328 QAQYNLXHPZIAGL-UHFFFAOYSA-N 417.922 3.427 0 40 HGAB CCc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(Cl)cc3)CC2=O)cc1 1290011 LWWJVZREPKISHJ-HNNXBMFYSA-N 400.862 3.437 0 40 HGAB C[C@@H](Cc1nc2ccccc2s1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 79023349 ILPPILBAVASDKO-HNNXBMFYSA-N 419.547 3.373 0 40 HGAB C[C@H]1CCC[C@H](C)N1C(=O)COC(=O)c1ccccc1I 3232874 BMGLHRGBDWXMMG-RYUDHWBXSA-N 401.244 3.238 0 40 HGAB COc1ccc(OC)c(NC(=O)CSc2nnc(NC(=O)CC(C)C)s2)c1 4328336 GIGJGCKUHSTMLG-UHFFFAOYSA-N 410.521 3.271 0 40 HGAB COc1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@@H]2c2cc(OC)ccc2OC)cc1 4716116 FHXAJTXELMGKQO-HXUWFJFHSA-N 421.457 3.232 0 40 HGAB Cc1cc(C)cc(N(CC(=O)NC(C)(C)C)C(=O)CNC(=O)c2cccs2)c1 4861372 NBYMHEYGNHGEES-UHFFFAOYSA-N 401.532 3.043 0 40 HGAB CCC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)N2CCCCC2)cc1Cl 6204837 KPWXXEXQFVUENO-AWEZNQCLSA-N 402.944 3.198 0 40 HGAB O=C(CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O)c1ccc(Cl)cc1Cl 7988784 PATUMSAZSIBALF-IBGZPJMESA-N 405.237 3.406 0 40 HGAB Cc1cccc(C(C)C)c1NC(=O)CSc1nnc(-c2ccco2)n1CC(N)=O 23348071 FBIPHIFIOVSSHV-UHFFFAOYSA-N 413.503 3.186 0 40 HGAB Cc1cc(C(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)c(C)n1-c1nccs1 22320790 XPHFCPOMSBNMBB-UHFFFAOYSA-N 400.504 3.330 0 40 HGAB COc1ccc(Cl)cc1NC(=O)CCC(=O)OCC(=O)Nc1ccc(F)cc1 8433758 AOGBLOPVWPKOHB-UHFFFAOYSA-N 408.813 3.388 0 40 HGAB CCOC(=O)c1ccc(OC[C@@H](O)CSc2nc(-c3cccs3)n[nH]2)cc1 22954981 LLCSKEGCNFXFJU-CYBMUJFWSA-N 405.501 3.242 0 40 HGAB CC(C)(CNC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1)N1CCCCC1 23524571 LQTCESDAGZKRKD-UHFFFAOYSA-N 415.559 3.482 0 40 HGAB O=C(/N=c1\sccn1Cc1ccccc1)C1CCN(c2ccc(Cl)nn2)CC1 24749985 NHTLMKKTABNQFZ-XDOYNYLZSA-N 413.934 3.385 0 40 HGAB COC[C@H](C)NC(=O)c1ccccc1NS(=O)(=O)c1cccc(C(F)(F)F)c1 12521179 FFHWILADEIBDTJ-LBPRGKRZSA-N 416.421 3.271 0 40 HGAB C[C@@H](c1ccccc1)N1CCN(C(=O)CSc2nnc(NC3CC3)s2)CC1 25317087 STVAAJYMJSNVQK-AWEZNQCLSA-N 403.577 3.110 0 40 HGAB CN(C(=O)c1ccccc1-c1ncc(-c2ccccc2F)o1)[C@@H]1CCS(=O)(=O)C1 44007541 SSHPGSZAHGZUDE-CQSZACIVSA-N 414.458 3.407 0 40 HGAB O=C(O[C@@H]1CCCCC1=O)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 3288601 HEYPVAQFSNXSED-OAQYLSRUSA-N 413.495 3.497 0 40 HGAB CC(C)COC(=O)N1C[C@H](O)C[C@H]1C(=O)Nc1ccc(Cl)c(Br)c1 10128247 GJDVIORUAYWTBN-RISCZKNCSA-N 419.703 3.269 0 40 HGAB Cc1ccc(CN2C[C@H]3Cn4c(nnc4C(=O)Nc4cccc(F)c4)C[C@H]3C2)s1 306131013 JUUVTNYBSFMMCM-GJZGRUSLSA-N 411.506 3.344 0 40 HGAB Cn1ccnc1[C@H](NC(=O)NC[C@@H]1COc2ccccc2O1)c1ccc(Cl)cc1 29322311 YBAWSNKVBCVNGT-VQIMIIECSA-N 412.877 3.302 0 40 HGAB CCOc1ccc(C(=O)N[C@@H](C(=O)NCCCN2CCC(C)CC2)C(C)C)cc1 11714185 FMGUWPATKRPGBY-OAQYLSRUSA-N 403.567 3.078 0 40 HGAB COc1ccc(Cl)cc1C(=O)Nc1ccc2nc(CN3CCOCC3)[nH]c2c1 60061199 ZZAVTZZLZNTCLK-UHFFFAOYSA-N 400.866 3.309 0 40 HGAB COc1ccc([C@H](C)NC(=O)c2cnc3sc4c(n3c2=O)CCCC4)cc1OC 20030121 DESCYAOZLDAXLH-LBPRGKRZSA-N 413.499 3.143 0 40 HGAB Cc1cc(C)c(NC(=O)CN(C)C(=O)c2nn(-c3ccccc3)c(C)cc2=O)c(C)c1 12985438 YQYYAGRCGLQXMN-UHFFFAOYSA-N 418.497 3.177 0 40 HGAB CN(C)c1cc(C(=O)NC[C@H](c2ccccc2)N2CCOCC2)c2ccccc2n1 96006690 LXOFIGRVFKTFDX-JOCHJYFZSA-N 404.514 3.104 0 40 HGAB C[C@@H](Sc1nnc(-c2ccc(F)cc2)n1C)C(=O)Nc1ccc2c(c1)OCO2 4736199 XHZQGSFGSHRHPH-LLVKDONJSA-N 400.435 3.469 0 40 HGAB O=C(CCNC(=O)c1ccc(F)cc1F)N[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 96013945 PAANAIMLHGSJTM-VQIMIIECSA-N 406.404 3.260 0 40 HGAB COC(=O)c1c(COC(=O)c2ccc(S(C)(=O)=O)cc2)nc2ccccc2c1C 7187012 UYGQDEBRRKRQHG-UHFFFAOYSA-N 413.451 3.090 0 40 HGAB COc1ccccc1[C@H](C)NC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1 8156055 MNPIIWCERBTAJR-AWEZNQCLSA-N 408.545 3.035 0 40 HGAB COc1ccc(Nc2nc(COC(=O)c3cccc(-n4cnnn4)c3)cs2)cc1 8193052 DOJLOTHQLBDBIG-UHFFFAOYSA-N 408.443 3.228 0 40 HGAB CC(C)c1ccc(-c2noc(COC(=O)CCCN3C(=O)NC(C)(C)C3=O)n2)cc1 8395284 YSYNEYWEXBGBOQ-UHFFFAOYSA-N 414.462 3.014 0 40 HGAB CCCCc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N[C@H](C)CO)c2)cc1 95349461 VFGGKRWFRXHTAW-MRXNPFEDSA-N 404.532 3.249 0 40 HGAB Cc1ccc(OCC(=O)Nc2ccc(N3CCN(C(=O)C(F)(F)F)CC3)cc2)cc1 20528645 AZPVUOGBYQNNSN-UHFFFAOYSA-N 421.419 3.223 0 40 HGAB COc1ccc(-c2cccc3nc([C@H]4CN(Cc5cnn(C)c5)CCN4C)cn23)cc1 306133699 MTASCIUVMYYWPM-HSZRJFAPSA-N 416.529 3.232 0 40 HGAB O=C(NCCc1ccccc1)c1cccc(S(=O)(=O)NCCc2ccccc2)c1 34798080 PFNURFFFLKIOCJ-UHFFFAOYSA-N 408.523 3.180 0 40 HGAB CN(C)C(=O)N1CCC[C@H]1c1nc(C(=O)NCc2ccc(F)cc2)c2ccccn12 306123686 ATVSVVVOXQAKSX-SFHVURJKSA-N 409.465 3.222 0 40 HGAB CNC(=S)N1CCc2cc(OC)c(OC)cc2[C@H]1c1cc2cc(C)ccc2[nH]c1=O 35313554 VHVLMOXZJDRLOJ-NRFANRHFSA-N 423.538 3.306 0 40 HGAB Cc1sc2nc(C(C)C)n([C@H]3CCCN(CC(=O)NCC4CC4)C3)c(=O)c2c1C 72347709 PAZKUBXOVUMCEM-KRWDZBQOSA-N 416.591 3.361 0 40 HGAB CCN(CC(=O)Nc1ccc(F)cc1)S(=O)(=O)c1ccc(Br)cc1 39985331 AADCXWXVBNQLIA-UHFFFAOYSA-N 415.284 3.238 0 40 HGAB CCNC(=O)C1(Cc2ccc(-c3ccccc3F)cc2)CCN(C(=O)COC)CC1 72345205 DZQRUOIGTHZZNJ-UHFFFAOYSA-N 412.505 3.427 0 40 HGAB CCC(=O)N1CCO[C@@](Cc2cccc(-c3ccc(C)cc3)c2)(C(=O)NC2CC2)C1 72389166 CAAIWLSGQALIOH-RUZDIDTESA-N 406.526 3.491 0 40 HGAB CCOc1cccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c1 44640624 COVICHVSMIIZPA-UHFFFAOYSA-N 416.543 3.111 0 40 HGAB CCSc1ccccc1NC(=O)[C@H]1CN(S(C)(=O)=O)c2cc(C)ccc2O1 44938719 GOMBRARYPGTTAI-QGZVFWFLSA-N 406.529 3.273 0 40 HGAB Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(Nc4ccccc4)[nH]c(=O)c32)c(F)c1 40399249 YXGBCRNOKYEYMP-CYBMUJFWSA-N 407.405 3.026 0 40 HGAB Nn1c(SCC(=O)Nc2nccs2)nnc1-c1ccc(Cl)cc1Cl 45229630 ICWGHRATWWHUEC-UHFFFAOYSA-N 401.304 3.153 0 40 HGAB Cc1cc(C)cc(N(CCCC(=O)NCCN(C)c2ccccc2)S(C)(=O)=O)c1 222574222 QEKIYEQKJFRLJL-UHFFFAOYSA-N 417.575 3.102 0 40 HGAB CN(C(=O)COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)c1ccccc1 222720113 ZTIDIUZDYZZMQO-UHFFFAOYSA-N 422.506 3.480 0 40 HGAB CC(C)CN1Cc2c(C(=O)NC3CCCCC3)ncn2-c2ccccc2S1(=O)=O 96266167 BIIMRXRHYDSORY-UHFFFAOYSA-N 416.547 3.095 0 40 HGAB COc1ccc2c(c1)O[C@]1(C[C@H]3CC[C@H]1C[C@H]3C(=O)NCCc1ccccc1)NC2=O 247965766 SCGUHDRBLOOLMO-GQKWOBABSA-N 420.509 3.309 0 40 HGAB Cc1cnc(-c2nnc([C@H]3CC[C@H](CNC(=O)c4ccc5c(c4)OCO5)CC3)o2)cn1 257286965 PNVJYYNRKUWORX-SHTZXODSSA-N 421.457 3.268 0 40 HGAB NC(=O)C[C@H]1CN(C(=O)c2c(F)cccc2F)CC[C@@H]1Oc1ccc(Cl)cc1 257304476 SLVWVNAICJBTFM-SJCJKPOMSA-N 408.832 3.403 0 40 HGAB CC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](CCNC(=O)c4ccc(F)cc4)OCC[C@@]31C2 257245708 IQRXTNMKDXGZCU-XDACAXMVSA-N 402.510 3.292 0 40 HGAB Cc1nc([C@@H]2CCCN(C(=O)c3ccncc3)C2)nc(C)c1CC(=O)NC1CCCC1 257256936 KNLPMWUFQALHJT-LJQANCHMSA-N 421.545 3.110 0 40 HGAB CCOc1ccc(NC(=O)[C@]23C[C@H]2CN(c2c(C)cccc2C)S3(=O)=O)cc1 260843592 ZUDVTPFWBSHVNS-KKSFZXQISA-N 400.500 3.249 0 40 HGAB CC(C)CN1c2cccnc2-n2cccc2[C@@]12CCN(C(=O)C1(F)CCOCC1)C2 585106844 JNACRHPUXJLIGQ-QHCPKHFHSA-N 412.509 3.295 0 40 HGAB COC(=O)Nc1ccc(S(=O)(=O)N2CC[C@@H](n3c(C)nc4ccccc43)C2)cc1 585149209 BRRHKGIEGCKNAB-MRXNPFEDSA-N 414.487 3.159 0 40 HGAB CC(=O)c1sc(C2CCN(C(=O)CCN3Cc4ccccc4C3=O)CC2)nc1C 72340176 NGYWLIGZDJOVRM-UHFFFAOYSA-N 411.527 3.406 0 40 HGAB COc1ccc(-n2nnc(C(C)=O)c2Nc2ccc(C(=O)N3CCCC3)cc2)cc1 12115211 QOSMDOJEHVFPMN-UHFFFAOYSA-N 405.458 3.458 0 40 HGAB C[C@H]1C[C@@H](C)CN(CC(=O)N2C[C@@H](c3csnn3)[C@H](c3ccc(F)cc3)C2)C1 12182722 XUWNGOZYVZDLIU-QGWWYQLQSA-N 402.539 3.365 0 40 HGAB O=C(COC(=O)c1cc2c(s1)-c1ccccc1OC2)NC(=O)NCc1ccccc1 12624431 VGPZSJKJYHDLLI-UHFFFAOYSA-N 422.462 3.490 0 40 HGAB Cc1ccc(NC(=O)COc2ccccc2C(F)(F)F)cc1S(=O)(=O)N(C)C 12808418 IOWFWFZCSGKJDF-UHFFFAOYSA-N 416.421 3.282 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)NCc1cccc(C)c1 13649050 UYPFAIMELGEECN-UHFFFAOYSA-N 416.543 3.354 0 40 HGAB O=C(Cc1ccc2c(c1)CCCO2)N1[C@H]2CC[C@@H]1CC(O)(c1ccc3c(c1)OCO3)C2 19345616 TXZMEJAPMOPNMO-WPUZRXDDSA-N 421.493 3.324 0 40 HGAB O=S(=O)(c1ccc2c(c1)OCCO2)N1CCC[C@H]1c1nnc(-c2ccsc2)o1 19346292 CUNVXWXENRNMLV-AWEZNQCLSA-N 419.484 3.095 0 40 HGAB CCc1cc(C(F)(F)F)n2nc([C@H]3CCCN3C(=O)c3cn(C)nc3C)cc2n1 19522308 JKHXADNEYIESMY-OAHLLOKOSA-N 406.412 3.330 0 40 HGAB Cc1cc(-c2ccc(F)cc2)cc(C2CCN(S(=O)(=O)c3cn(C)cn3)CC2)n1 19691195 FSNOAHLIQRBKLP-UHFFFAOYSA-N 414.506 3.498 0 40 HGAB COC(C)(C)C(=O)N1CCO[C@H](c2c(C(=O)NC(C)C)sc3ccccc23)C1 19697707 XINDRFBNUPLENS-HNNXBMFYSA-N 404.532 3.364 0 40 HGAB Cc1nc(CC(=O)N2CCC(c3nc4ccc(F)cc4cc3C(N)=O)CC2)cs1 12254728 FXINDUABNAXVMV-UHFFFAOYSA-N 412.490 3.186 0 40 HGAB NS(=O)(=O)c1cccnc1NCC1(c2ccc(Br)s2)CCC1 561359783 JCWJYXPHVTVULK-UHFFFAOYSA-N 402.339 3.087 0 40 HGAB COc1ccc(CN2CCC(O)(Cn3ccnc3C)CC2)cc1Cn1nc(C)cc1C 19574423 FIXNGGJHTSBXNG-UHFFFAOYSA-N 423.561 3.089 0 40 HGAB COc1cnc(O[C@H]2CCN(c3ncc(Br)cc3C(F)(F)F)C2)nc1 2086992595 JWMGWQWUSRAEFG-JTQLQIEISA-N 419.201 3.319 0 40 HGAB CCCCn1c(=O)c2c(nc3n(-c4ccc(C(F)(F)F)cc4)c(C)cn23)n(C)c1=O 4370452 CVKMTYKAFTZDJM-UHFFFAOYSA-N 419.407 3.266 0 40 HGAB COc1ccccc1C(=O)N1CCN(c2ccc(Nc3ccc(C)cc3)nn2)CC1 4304167 KMXIHHNZRQZTEF-UHFFFAOYSA-N 403.486 3.500 0 40 HGAB O=C(NC[C@@H](c1cccnc1)N1CCc2ccccc2C1)C(=O)Nc1cccc(F)c1 15882588 KCQGRJZDTRBILM-QFIPXVFZSA-N 418.472 3.075 0 40 HGAB Cc1ccc([C@@H](CNC(=O)c2cccc(Br)c2)N2CCN(C)CC2)cc1 22582473 HLNUGIFZXNPIMC-HXUWFJFHSA-N 416.363 3.476 0 40 HGAB COc1cc(OC)cc(N2N=N[C@H]3C(=O)N(c4ccc(C)c(Cl)c4)C(=O)[C@@H]32)c1 23125656 XQSXTUQTFFYQMU-IAGOWNOFSA-N 400.822 3.163 0 40 HGAB Nc1c(-c2nc(-c3ccc4c(c3)OCO4)no2)nnn1-c1ccccc1C(F)(F)F 20530566 URLSEYVNJXOGOW-UHFFFAOYSA-N 416.319 3.314 0 40 HGAB O=C(NC[C@H](c1ccco1)N1CCCC1)[C@H]1CCCN(C(=O)Cc2ccccc2)C1 40073661 VZYAGPDZRUHWAF-LEWJYISDSA-N 409.530 3.014 0 40 HGAB O=S(=O)(Cc1cc2c(cc1Br)OCCO2)c1nc2ccccc2[nH]1 40152116 FDGDUQKREFMHAJ-UHFFFAOYSA-N 409.261 3.071 0 40 HGAB Cc1cc(C(=O)N2CCN(CCSc3ccccc3)CC2)c2c(C)nn(C)c2n1 40150904 NRHPPWOMFNBKQS-UHFFFAOYSA-N 409.559 3.135 0 40 HGAB COc1ccc([C@H](CNC(=O)c2cc(-c3ccc4c(c3)OCCO4)on2)N(C)C)cc1 32593959 OMRDYYXJULKBAJ-IBGZPJMESA-N 423.469 3.154 0 40 HGAB CCn1c(SCC(=O)c2ccc3c(c2)NC(=O)CO3)nnc1-c1ccc(OC)cc1 3317830 QZYPNLSFGFFVEK-UHFFFAOYSA-N 424.482 3.280 0 40 HGAB COCCn1c(C)cc(C(=O)CN2C(=O)N[C@](C)(c3ccccc3Cl)C2=O)c1C 3593527 HTEKFQQWZZYHTO-OAQYLSRUSA-N 417.893 3.055 0 40 HGAB O=C(Nc1c2c(nn1-c1ccc(Cl)cc1)CS(=O)(=O)C2)c1ccc(F)cc1 4088659 JXMUHHJYBFVHQH-UHFFFAOYSA-N 405.838 3.346 0 40 HGAB COc1cc2c(cc1OC)[C@@H](C)N(C(=O)N[C@@H]1CC(=O)N(c3ccccc3)C1)CC2 4359948 QRSYOBGMQPEMBF-NVXWUHKLSA-N 409.486 3.138 0 40 HGAB COc1ccc(N2C[C@@H](NC(=O)N3CCC(Cc4ccccc4)CC3)CC2=O)cc1 4479541 JUZKYJAGITUMAQ-FQEVSTJZSA-N 407.514 3.465 0 40 HGAB COc1c(-n2nc3ccccc3n2)cc(C)cc1S(=O)(=O)NC1CCCCC1 4602539 LRTCWLSTLQXYKM-UHFFFAOYSA-N 400.504 3.349 0 40 HGAB CCCCNC(=O)NC(NC(=O)c1ccc(OC)cc1)(C(F)(F)F)C(F)(F)F 4615329 WLNFDRXEHNYAJO-UHFFFAOYSA-N 415.334 3.345 0 40 HGAB COc1ccc(NCc2nnc(SCC(=O)O)n2-c2ccc(OC)cc2)cc1 5006677 CAYBDLKEMMMDLD-UHFFFAOYSA-N 400.460 3.073 0 40 HGAB CCC(CC)NC(=O)CSc1ccc(S(=O)(=O)N(C)C2CCCCC2)cn1 5088924 HCVLQDLVTPMXGF-UHFFFAOYSA-N 413.609 3.432 0 40 HGAB CCOc1cccc([C@@H]2c3c(n[nH]c3-c3cc(C)cc(C)c3O)C(=O)N2CCO)c1 5343943 DWXZSKAAKXCFCT-OAQYLSRUSA-N 407.470 3.335 0 40 HGAB CCc1cccc(C)c1NC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 5560218 IKCNLXSCPIUKEH-UHFFFAOYSA-N 416.543 3.150 0 40 HGAB CC(C)[C@H](NC(=O)Cn1cnc2sccc2c1=O)c1ccc2c(c1)OCCCO2 7086343 PDCWDJIJKLLYGM-IBGZPJMESA-N 413.499 3.133 0 40 HGAB CCOc1ccccc1N1C[C@H](C(=O)OCC(=O)Nc2ccccc2CC)CC1=O 8039819 JEMMHLREESNWAX-QGZVFWFLSA-N 410.470 3.183 0 40 HGAB COc1ccc(S(=O)(=O)N(Cc2nc3ccccc3c(=O)[nH]2)C2CCCC2)cc1 8582802 AANUXMLLBCNNNU-UHFFFAOYSA-N 413.499 3.065 0 40 HGAB O=C(CNc1cccc2c1CCCC2)Nc1cccc(S(=O)(=O)N2CCCC2)c1 8721047 GLTZWKNMNFJGKG-UHFFFAOYSA-N 413.543 3.401 0 40 HGAB CCN1C(=O)[C@@](O)(CC(=O)c2ccc3c(c2)OCO3)c2cc(Br)ccc21 8921880 NEPMNPUPBVNYOQ-LJQANCHMSA-N 418.243 3.005 0 40 HGAB CN(C)c1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)cc1 8992259 JLJUDJXSICXBEZ-OAHLLOKOSA-N 421.950 3.445 0 40 HGAB CCCCn1cnc2c1c(=O)n(CC(=O)c1cccs1)c(=O)n2Cc1ccccc1 9056245 TVBNLHGBGYSZRY-UHFFFAOYSA-N 422.510 3.153 0 40 HGAB COc1cccc(N2CCN(c3nc(C)c(Cc4ccc(C)cc4)c(=O)[nH]3)CC2)c1 9096434 BVCFRRHOKBDISM-UHFFFAOYSA-N 404.514 3.313 0 40 HGAB O=C1N[C@@]2(CCOc3ccccc32)C(=O)N1Cc1nc(-c2ccc(Cl)cc2)no1 9861425 BAPLWVBKWSIOIP-HXUWFJFHSA-N 410.817 3.120 0 40 HGAB CNc1nn(-c2nc(C)cc(C)n2)c2c1C(=O)C[C@H](c1ccc(OC)c(OC)c1)C2 10157217 JXQYAOYBYUAMSJ-OAHLLOKOSA-N 407.474 3.251 0 40 HGAB CN(C)[C@H](CNC(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O)Cc1ccccc1 11603675 VRYDKPWOVSCXOR-LPHOPBHVSA-N 417.962 3.432 0 40 HGAB O=C(COc1ccccc1F)N1CCN(c2nccn2-c2cccc(Cl)c2)CC1 11695719 JIKJMHCZNUNYMS-UHFFFAOYSA-N 414.868 3.392 0 40 HGAB Cn1cccc1[C@H](CNC(=O)C(=O)NCCC1=CCCCC1)N1CCCCCC1 11898758 KJONXLNYNFZYMQ-NRFANRHFSA-N 400.567 3.065 0 40 HGAB CCc1nc2ccccc2c(=O)n1CC1(O)CCN(Cc2cccc(F)c2F)CC1 12187307 AIKSNOSVJMBOJN-UHFFFAOYSA-N 413.468 3.264 0 40 HGAB O=C(CSc1nnc2c3ccccc3nc(-c3ccccc3)n12)NC[C@@H]1CCCO1 12377048 LZZTYVCLHXDCFM-INIZCTEOSA-N 419.510 3.332 0 40 HGAB C[C@H]1CN(C(=O)c2ccccc2NS(=O)(=O)c2ccc(Cl)cc2)C[C@@H](C)O1 12523937 RIOJXLRNKUFPIM-OKILXGFUSA-N 408.907 3.390 0 40 HGAB C[C@@H](NC(=O)c1ccco1)C(=O)N[C@H](Cc1nc2ccccc2n1C)c1ccccc1 12601283 IWPIGCASDDLTCB-VQIMIIECSA-N 416.481 3.385 0 40 HGAB Cc1nc(CCNC(=O)[C@H](NC(=O)c2ccc(Br)cc2)C(C)C)cs1 12770705 JZXPOIBBFBSHQA-MRXNPFEDSA-N 424.364 3.327 0 40 HGAB CCN(Cc1cccc(F)c1)C(=O)CN1C(=O)c2ccccc2N2C(=O)CC[C@]12C 12855643 YYSNTDDMWHFXKP-HSZRJFAPSA-N 409.461 3.173 0 40 HGAB O=C(NCCc1ccc(F)cc1)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 12905251 QUCQSVALKUMRBM-CQSZACIVSA-N 416.927 3.053 0 40 HGAB CC(=O)N1C[C@@H](C(=O)Nc2cccc(I)c2)Oc2ccccc21 12986727 LDPSCUYTIYHLFI-INIZCTEOSA-N 422.222 3.044 0 40 HGAB CCN(C(=O)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1)c1ccccc1 14199637 IINSTJNFLWILDY-UHFFFAOYSA-N 408.470 3.419 0 40 HGAB O=C(CCCCCNC1=NS(=O)(=O)c2ccccc21)OC[C@@H]1CC1(Cl)Cl 15355377 YKMQIGGDMHRTMM-LBPRGKRZSA-N 419.330 3.023 0 40 HGAB COc1ccc(NC(=O)CN(C)C(=O)c2cccc(I)c2)cc1 16049777 NDGIUXUHETZHGT-UHFFFAOYSA-N 424.238 3.011 0 40 HGAB CN(CC(=O)Nc1nnc(-c2ccccc2)s1)S(=O)(=O)c1ccc(Cl)cc1 18702560 UZRDPZQCCXJYTM-UHFFFAOYSA-N 422.919 3.118 0 40 HGAB CC1(C)NC(=O)N(Cc2ccc(NC(=O)c3ccccc3Cn3ccnc3)cc2)C1=O 19460194 DNJKIYXRRXYDDF-UHFFFAOYSA-N 417.469 3.014 0 40 HGAB C[C@@H]1CCCN(c2ncc(C(=O)NCC3(c4ccccc4F)CCOCC3)cn2)C1 19496645 NBQMMFZJKUIMHU-QGZVFWFLSA-N 412.509 3.330 0 40 HGAB CCc1cc(C(F)(F)F)n2nc([C@@H]3CCCN(Cc4cnc(OC)nc4)C3)cc2n1 19522239 CUDMUZJEMMHTPL-CQSZACIVSA-N 420.439 3.489 0 40 HGAB CCn1c(N2CCC(C(=O)NCc3nc4ccccc4[nH]3)CC2)nc2ccccc21 19524386 DENFOLFLNKACRK-UHFFFAOYSA-N 402.502 3.465 0 40 HGAB CCOC(=O)[C@@]12CC=CCN(C(=O)c3ccc([C@H](C)N4CCOCC4)o3)[C@@H]1CCC2 19530661 IBHAARNTRYWILY-XTQVGHSUSA-N 416.518 3.177 0 40 HGAB CC(C)(C)c1nc2cc(NC(=O)CN3C(=O)N[C@](C)(c4ccccc4)C3=O)ccc2[nH]1 19665723 VRNPGVXKVXFSCV-HSZRJFAPSA-N 419.485 3.266 0 40 HGAB Cc1cc(C)c2cc(C(=O)Nc3ccccc3NC(=O)CN3CCOCC3)[nH]c2c1 19714639 LKCZYVVGSLOMJD-UHFFFAOYSA-N 406.486 3.308 0 40 HGAB CCn1nccc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)COc2ccccc2)CC1 19747032 LQYGEXLYDBQQJX-NRFANRHFSA-N 424.545 3.215 0 40 HGAB Cn1cc(C(=O)NCc2ccccc2)c(CC2CCN(Cc3cccnc3)CC2)n1 19759111 BJLIOHJQSWBKNE-UHFFFAOYSA-N 403.530 3.200 0 40 HGAB CCOC(=O)c1cc(NC(=O)CN(c2cccc(C)c2)S(C)(=O)=O)ccc1Cl 19934573 TUUMZONSFKZSSN-UHFFFAOYSA-N 424.906 3.230 0 40 HGAB CN(C)S(=O)(=O)c1ccc(CNC(=O)C(c2ccccc2)c2ccccc2)cc1 20768291 NGUCBXLYWXNBLP-UHFFFAOYSA-N 408.523 3.385 0 40 HGAB CC(C)c1ccccc1OC[C@@H](O)CN1CCN(Cc2ccc3c(c2)OCO3)CC1 22027076 YNCUVRNFXIVMQE-FQEVSTJZSA-N 412.530 3.096 0 40 HGAB CCOc1ccccc1N(CC(=O)NCCCc1ccc(Cl)cc1)S(C)(=O)=O 22332841 CXMCCRIHJUOMLO-UHFFFAOYSA-N 424.950 3.254 0 40 HGAB CC[C@H](NC(=O)CN(c1c(C)cccc1C)S(C)(=O)=O)c1ccc(OC)cc1 22338788 JYPDRJGRTNFPTN-IBGZPJMESA-N 404.532 3.346 0 40 HGAB CN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1 24612645 DQSFKPWIVQMTSN-UHFFFAOYSA-N 404.507 3.026 0 40 HGAB O=C(Nc1nc(CN2CCCCC2)cs1)c1cccc(NC(=O)[C@H]2CCCO2)c1 24831067 ZCEXHXAXXBHYOF-GOSISDBHSA-N 414.531 3.499 0 40 HGAB Cc1ccc(N(CCC(=O)Nc2cnn(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1 25304910 JNFKVKDSVMQMAU-UHFFFAOYSA-N 412.515 3.261 0 40 HGAB NC(=O)NCCCCCC(=O)N1CCN(Cc2ccc(-c3ccccc3)s2)CC1 32809497 BVXJYWCUZPGINJ-UHFFFAOYSA-N 414.575 3.288 0 40 HGAB Cc1cc(C)n2nc(SCc3nc(N)nc(Nc4ccc(Cl)cc4)n3)nc2n1 32854368 JHVXMAUSZNYVAP-UHFFFAOYSA-N 413.898 3.198 0 40 HGAB COC(=O)[C@H](c1ccccc1Cl)N1CCN(C(=O)Nc2cccc(OC)c2)CC1 32893546 QBFPUVTYDDIODY-IBGZPJMESA-N 417.893 3.412 0 40 HGAB O=C(COc1ccccc1F)Nc1cccc(OCc2cc(=O)n3ccccc3n2)c1 33268515 SQPOOGLUQFAPOG-UHFFFAOYSA-N 419.412 3.430 0 40 HGAB Cc1nc2n(c(=O)c1C)CN(CCCN(C)C)CN2c1cccc(C(F)(F)F)c1 38830017 LTGYFPRPJWFDHS-UHFFFAOYSA-N 409.456 3.199 0 40 HGAB COc1c(Cl)cc(C(=O)N2CCC(NC(=O)c3ccncc3)CC2)cc1Cl 42715815 KLHHFNPGPIVSSO-UHFFFAOYSA-N 408.285 3.432 0 40 HGAB Cn1c(N2CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)CC2)nc2ccccc21 44443730 ZXXAQIIUZYAKBP-UHFFFAOYSA-N 412.559 3.382 0 40 HGAB CCc1ccccc1N(CC(=O)NCc1cccnc1)S(=O)(=O)c1ccc(C)cc1 44792778 AIWGIUYJYUTUOS-UHFFFAOYSA-N 423.538 3.464 0 40 HGAB CN(C)S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccccc2Sc2ccccc2)C1 44849087 DCHQMVJGENDPAJ-MRXNPFEDSA-N 419.572 3.295 0 40 HGAB CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCc1ccc(N2CCCCCC2)nc1 48262941 DLTLDXBZWGEBHH-SFHVURJKSA-N 402.539 3.478 0 40 HGAB C[C@H]1C[C@@H](C)CN(Cc2ccccc2CNC(=O)c2ccc3c(c2)OCC(=O)N3)C1 48333002 OUXLBUFJDKKVCT-CALCHBBNSA-N 407.514 3.425 0 40 HGAB Cc1cccc(C(=O)NC2CCN(C(=O)c3cn(-c4ccc(Cl)cc4)nn3)CC2)c1 49406263 RMZMZZAKMDGFSZ-UHFFFAOYSA-N 423.904 3.264 0 40 HGAB COC(=O)c1ccc(Cl)c(Cc2noc(C(=O)NCc3ccc(OC)cc3)n2)c1 49546297 QJQHJSSHQCVGCK-UHFFFAOYSA-N 415.833 3.039 0 40 HGAB CC(C)NC(=O)Nc1ccccc1C(=O)NCc1cccc(CN2CCO[C@H](C)C2)c1 58148689 NDFXDLLMZVQVLD-GOSISDBHSA-N 424.545 3.367 0 40 HGAB Cn1cccc1C(=O)N1CCCC[C@@H]1CCOC(=O)c1cnn(C)c1C(F)(F)F 69535821 WXSPNQKIYZCFQE-CYBMUJFWSA-N 412.412 3.019 0 40 HGAB O=C(CCC(=O)N1CCN(c2ccc(F)cc2)CC1)NCCn1ccc2ccccc21 71282521 VEGDNKGCWYHIMT-UHFFFAOYSA-N 422.504 3.026 0 40 HGAB COc1cc(C(=O)N[C@@H](C)Cc2ccc(Cl)cc2Cl)ccc1OCC(N)=O 72065113 QPTNKPXDOQEJBF-NSHDSACASA-N 411.285 3.227 0 40 HGAB CN(C)C(=O)c1c[nH]nc1[C@H]1CCCN(C(=O)c2cccc(N3CCCCC3)c2)C1 72344738 OEDKGAGIBUFIMV-SFHVURJKSA-N 409.534 3.122 0 40 HGAB NC(=O)c1cccc(Oc2ccc(NC(=O)/C=C/c3ccc4c(c3)OCO4)cn2)c1 79502030 CZQFABPCESVLGP-VMPITWQZSA-N 403.394 3.353 0 40 HGAB CN(C(=O)CNc1ccc(CS(C)(=O)=O)c(F)c1)[C@H]1CCCc2ccccc21 83855675 QTQKJZRSRCDQKR-FQEVSTJZSA-N 404.507 3.318 0 40 HGAB C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1CC(=O)NCC1(c2ccccc2)CCC1 89920318 DRKLJUVPZCDKQZ-RBUKOAKNSA-N 415.578 3.460 0 40 HGAB O=C(/C=C/c1ccco1)N1CCN(c2ccc(-c3noc(C(F)(F)F)n3)cn2)CC1 90558871 DFJMFUMUMMHVRC-GQCTYLIASA-N 419.363 3.105 0 40 HGAB COc1ccc(N2C[C@@H](C(=O)Nc3ccc(-n4cccn4)c(F)c3)CC2=O)cc1OC 95951283 NPGZKVMRFJIGTL-AWEZNQCLSA-N 424.432 3.020 0 40 HGAB COc1ccc(-c2cc(C(=O)NCCn3c(C)nc4ccccc43)[nH]n2)cc1OC 96118668 ISKROZXYYWWQEA-UHFFFAOYSA-N 405.458 3.182 0 40 HGAB COc1cn(CC(=O)NCC(C)C)c(CN2CCC(c3ccccc3)CC2)cc1=O 96224281 IDPPDUKADOLSCC-UHFFFAOYSA-N 411.546 3.009 0 40 HGAB O=C1c2ccccc2C(=O)N1CN1CCN(Cc2c(Cl)cccc2Cl)CC1 96300418 KIVWIYPUCDRGAB-UHFFFAOYSA-N 404.297 3.365 0 40 HGAB CCS(=O)(=O)[C@](Cl)(I)[C@H](O)c1ccc(Cl)cc1 96520113 ZYZLDMNGTFYMIE-NXEZZACHSA-N 409.072 3.136 0 40 HGAB CC[C@H](c1ccncc1)N(C)S(=O)(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1 97103148 PCSLEXBRPQSGSN-OAHLLOKOSA-N 422.450 3.147 0 40 HGAB COCCn1/c(=N/C(=O)c2ccc(C(C)=O)cc2)sc2cc(C(=O)OC)ccc21 100872423 ACQJUWJHPINPNN-DQRAZIAOSA-N 412.467 3.080 0 40 HGAB CCOC(=O)[C@H]1C(=O)C[C@@](C)(O)[C@H](C(=O)OCC)[C@@H]1c1ccc(C(C)(C)C)cc1 101998687 WQOSIFNKORDPQG-GKAYAJSDSA-N 404.503 3.150 0 40 HGAB COc1cccc(NC(=O)c2cnn3c2NC(C(=O)O)=C[C@H]3c2ccccc2OC)c1 102810737 IGMXFSZMLRRHJX-SFHVURJKSA-N 420.425 3.136 0 40 HGAB CC(=O)N[C@H](CC(=O)N[C@H](c1ccccc1)[C@H](C)C(=O)O)c1c(F)cccc1F 108117725 CZZQPFQCSKYAJP-TUIFFPIZSA-N 404.413 3.110 0 40 HGAB COc1cccc(CNC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)c1 113937558 ZYPMERZRXSXMTI-UHFFFAOYSA-N 410.495 3.450 0 40 HGAB Cc1cc(N2CCCCC2)nc(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)n1 206721692 PXKJGUJUXIHIRD-UHFFFAOYSA-N 414.453 3.273 0 40 HGAB COc1ccc(OC)c(N([C@@H](C)C(=O)Nc2ccc(C)cc2C)S(C)(=O)=O)c1 220205548 QPBASSRRCGALTR-HNNXBMFYSA-N 406.504 3.114 0 40 HGAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N(C)c3ccccc3)C2)cc1 222587375 KMZZOIPNVBXZNJ-QGZVFWFLSA-N 402.516 3.149 0 40 HGAB COc1ccc(N(C)C(=O)c2ccc(OC)c(S(=O)(=O)N3CCCCC3)c2)cc1 222917473 BZSYQBDRWZBDMT-UHFFFAOYSA-N 418.515 3.155 0 40 HGAB CCc1cc(S(=O)(=O)N(C)Cc2nc(-c3cccc(C)c3)no2)ccc1OC 223781154 ZHMRRTFQWJDOMB-UHFFFAOYSA-N 401.488 3.437 0 40 HGAB COC(=O)c1cc(S(=O)(=O)NCCOc2ccc(C)c(Cl)c2)ccc1Cl 224184978 XGZMYGPJMHPBLY-UHFFFAOYSA-N 418.298 3.446 0 40 HGAB CCc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCCC[C@H]4C)nc(O)c32)cc1 253566673 JFEZAJHHMSNVMM-CJNGLKHVSA-N 409.490 3.188 0 40 HGAB COc1cccc(Cc2cnc([C@H]3CCCCN3C(=O)c3cc(C)nc(N)n3)o2)c1 257220249 DKEMYWFKCVWANI-LJQANCHMSA-N 407.474 3.322 0 40 HGAB Cc1ncc(-c2cncc([C@H]3CCCN(C(=O)c4n[nH]c5ccccc45)C3)n2)n1C 257275206 NOIOMBHKFGRRPY-HNNXBMFYSA-N 401.474 3.082 0 40 HGAB COc1ccc([C@@H](C)NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)cc1 260616365 JFUCSNJZLSGEMG-MJGOQNOKSA-N 416.543 3.282 0 40 HGAB O=C1c2cccn2[C@H]2CN(Cc3ccc4c(c3)OCO4)C[C@H]2N1Cc1ccc(F)cc1 306123988 BCMFGUKFQMKVQU-LEWJYISDSA-N 419.456 3.437 0 40 HGAB COc1cc(OC(F)(F)F)ccc1CN1CCO[C@@]2(CCCC[C@@H]2NC(C)=O)C1 306126218 DPUZVKWEINYENO-OALUTQOASA-N 416.440 3.244 0 40 HGAB CC(C)n1cnc([C@@H]2CN(Cc3ccoc3)C[C@]23CCN(Cc2ccncc2)C3=O)c1 306141155 VMRUAEYDKAPYQI-XUZZJYLKSA-N 419.529 3.470 0 40 HGAB CN1CCN(c2ccc(NC(=S)NC(=O)Cc3ccc(Cl)cc3)cc2)CC1 408625626 FCLDFTKOQGGFFZ-UHFFFAOYSA-N 402.951 3.148 0 40 HGAB O=C(NCc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)NCc1ccco1 408708160 HFJGMMZYSRYHCO-UHFFFAOYSA-N 411.845 3.118 0 40 HGAB COc1cccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3cccc(C)c3)[C@H]2c2ccccc2)c1 409058912 ZKIXRYUOJCKGJP-WFZBXURCSA-O 414.485 3.020 0 40 HGAB COc1cc(C)cc(OC)c1CN1CC[C@]2(COCc3cnc(NC4CC4)nc32)C1 503722108 HBBMGZQFFWTMNM-HSZRJFAPSA-N 410.518 3.050 0 40 HGAB Cn1cc(C(=O)N2CCC(COc3ccccc3)(CC(=O)N3CCCCC3)CC2)cn1 2037905447 IFSZVKBBXNVRPF-UHFFFAOYSA-N 424.545 3.124 0 40 HGAB O=C1CC[C@@H](CN2CCC(c3ccc4cc(-c5ccncc5)cnc4n3)CC2)CN1 2086889800 HXKLFIZLQFGXKQ-QGZVFWFLSA-N 401.514 3.397 0 40 HGAB C[C@H]1Cc2ccccc2N1C(=O)CSc1nc2ccccc2n1CC(=O)NC1CC1 1340180 HTTMMEWHBHINPG-HNNXBMFYSA-N 420.538 3.385 0 40 HGAB CCCN(c1nc(C)c(Br)c(OC)n1)S(=O)(=O)c1ccc(C)cc1 2483742 APLGKOQPLBXVRJ-UHFFFAOYSA-N 414.325 3.470 0 40 HGAB COc1cc(NC(=O)CCn2c(=S)[nH]c3ccccc3c2=O)cc(OC)c1OC 3043801 VNSFDHJGNCVNCC-UHFFFAOYSA-N 415.471 3.114 0 40 HGAB NS(=O)(=O)c1ccc(-n2nc(-c3ccc(Cl)cc3)c3ccccc3c2=O)cc1 3351613 FUGHLNJLLXCYQO-UHFFFAOYSA-N 411.870 3.354 0 40 HGAB O=C(COC(=O)/C=C/c1ccccc1Cl)NC(=O)Nc1ccc2c(c1)OCCO2 3393546 IGGIVJBRXADOJG-VMPITWQZSA-N 416.817 3.016 0 40 HGAB O=C(c1ccc(Cl)cc1)n1c(=O)oc2cc(S(=O)(=O)N3CCCCC3)ccc21 4168127 BJQHKJRZBYKDGE-UHFFFAOYSA-N 420.874 3.111 0 40 HGAB COC(=O)c1ccc(CNC(=O)c2nc(-c3ccc(C(F)(F)F)cc3)no2)cc1 4751423 WAQNUZYFPMSIOS-UHFFFAOYSA-N 405.332 3.472 0 40 HGAB COc1cc2c(cc1OC)CN1C(=S)N(c3cccc(SC)c3)C(=O)[C@H]1C2 4761294 BQQBOLKJKXIKHP-MRXNPFEDSA-N 400.525 3.484 0 40 HGAB CC(C)[C@@H](C(=O)NC1CCN(Cc2ccccc2)CC1)N1Cc2ccccc2C1=O 6872156 NKTSRGFUFVXXRU-QHCPKHFHSA-N 405.542 3.448 0 40 HGAB O=C(c1cc(-c2ccccc2)nn1-c1ccccc1)N(C1CC1)[C@H]1CCS(=O)(=O)C1 7007275 RSHXLWDRRQSICA-FQEVSTJZSA-N 421.522 3.331 0 40 HGAB Cn1c(CCC(N)=O)nnc1S[C@@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1 7105055 SLIZELJCZCMSCF-OAQYLSRUSA-N 419.510 3.431 0 40 HGAB Cn1c(SC[C@H](O)COCc2ccc3c(c2)OCO3)nnc1-c1ccccc1F 7200549 OUZFMJUZQBYKKF-CQSZACIVSA-N 417.462 3.020 0 40 HGAB C[C@@H]1CCc2c(sc3ncn(CC(=O)NCCCN(C)c4ccccc4)c(=O)c23)C1 7229155 SPLGCXNXCQZXKD-MRXNPFEDSA-N 424.570 3.226 0 40 HGAB COc1ccc(NC(=O)c2oc3c(F)cccc3c2C)cc1S(=O)(=O)N(C)C 7241057 WVYRAZPIXYIAOE-UHFFFAOYSA-N 406.435 3.392 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1OC 7309544 TWIQJCVDQBJXGT-MRXNPFEDSA-N 405.472 3.001 0 40 HGAB C[C@@H](NS(=O)(=O)c1ccc(OC(F)(F)F)cc1)c1ccc(-n2cncn2)cc1 7701233 ZHGKBPVYQHJJBC-GFCCVEGCSA-N 412.393 3.205 0 40 HGAB CN(C)S(=O)(=O)c1cccc(NC(=O)CNc2ccc(C(F)(F)F)cc2)c1 7972893 COFSKJTWLICWEV-UHFFFAOYSA-N 401.410 3.006 0 40 HGAB COc1ccc(Cl)cc1CN(C)CC(=O)N(C)CC(=O)Nc1cc(C)ccc1C 8005922 FEDPHWOHCPCWFE-UHFFFAOYSA-N 417.937 3.494 0 40 HGAB CC(C)(C)c1ccc(-c2cn(C[C@H]3C[C@@H]4CCN3C[C@@H]4C(=O)NC3CC3)nn2)cc1 8299314 JWMPKVTVDWZPQJ-WMQCIHAUSA-N 407.562 3.232 0 40 HGAB biogenic,in-vitro CCOc1ccc(NC(=O)CCC(=O)OCC(=O)Nc2ccc(C(C)=O)cc2)cc1 8415215 VOCGBIHTRISIRW-UHFFFAOYSA-N 412.442 3.189 0 40 HGAB Cc1ccc(-n2ccc(=O)c(C(=O)Nc3nonc3-c3ccc(Cl)cc3)n2)cc1 9206035 BHAZEZZCNSFOCE-UHFFFAOYSA-N 407.817 3.497 0 40 HGAB Cc1cc(=O)n2c(n1)NC(N1CCC(N3CCCCC3)CC1)=N[C@H]2[C@H]1CC=CCC1 9289505 GSIKTTRSOHBPIU-GHTZIAJQSA-N 410.566 3.138 0 40 HGAB O=C(CCN1C(=O)S/C(=C/C=C/c2ccccc2)C1=O)NCCCn1ccnc1 9421471 LZIXYFUFJQYCAL-FNARSPSRSA-N 410.499 3.072 0 40 HGAB COc1ccc(C2(c3ccc(OC)cc3)NC(=O)N(CN3CCC[C@@H](C)C3)C2=O)cc1 9548352 DTYUTCDKOWPFQW-QGZVFWFLSA-N 423.513 3.189 0 40 HGAB Cc1ccc(-n2nnnc2CNC(=O)c2cc(Br)ccc2Cl)cc1 9570580 CYNNNVPRSNIKET-UHFFFAOYSA-N 406.671 3.317 0 40 HGAB Cc1cc(NC(=O)CN2CCC(C(=O)Nc3ccccc3)CC2)n(-c2ccccc2)n1 9643489 NLDVQMVXHAILGZ-UHFFFAOYSA-N 417.513 3.470 0 40 HGAB COc1ccc(NC(=O)CSc2nccn(-c3ccc(F)cc3)c2=O)c(OC)c1 10272653 BDVQAWAGXLMUBR-UHFFFAOYSA-N 415.446 3.120 0 40 HGAB CN(C)[C@@H](CNS(=O)(=O)c1ccc2c(c1)OCCO2)c1cccc2ccccc12 10335608 VUEHWZKRSUZDKD-FQEVSTJZSA-N 412.511 3.192 0 40 HGAB CCNC(=O)NC(=O)[C@@H](C)Sc1nnc(-c2cc3c(s2)CC[C@@H](CC)C3)n1C 10440255 LAASXCMYNPZPBS-VXGBXAGGSA-N 421.592 3.385 0 40 HGAB COC(=O)[C@H]1CN(C(=O)CN(C)Cc2ccc(Cl)cc2Cl)c2ccccc2O1 11222975 YXWKZBNRHUEQRE-GOSISDBHSA-N 423.296 3.392 0 40 HGAB CC[C@@H]1Oc2ccc(C(=O)c3ccco3)cc2N(CC(=O)N2CCCC[C@@H]2C)C1=O 12241942 BYFYLJVGHKQBMM-YJBOKZPZSA-N 410.470 3.416 0 40 HGAB CC[C@@H]1Oc2ccc(C(=O)c3cccs3)cc2N(CC(=O)NC(C)(C)C)C1=O 12242010 XVKINGYTHVECGE-HNNXBMFYSA-N 400.500 3.398 0 40 HGAB COc1ccc(C(=O)N2CCN(c3nccn3-c3ccc(C)cc3)CC2)cc1OC 12444667 BGGVXVUYUMIGJI-UHFFFAOYSA-N 406.486 3.160 0 40 HGAB COc1ccc(S(=O)(=O)Nc2ccc(N3CCCC3)cc2C)cc1NC(C)=O 12604627 ZHSHXNFYTTUFMS-UHFFFAOYSA-N 403.504 3.363 0 40 HGAB Cc1cc(C)c(C)c(S(=O)(=O)N[C@@H](C)C(=O)Nc2nnc(C(C)C)s2)c1C 12787447 KZYOXPTXTBGXQV-AWEZNQCLSA-N 410.565 3.201 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)NCC2(c3ccccc3)CC2)c1 12805091 UQCFHABQJGIUKI-UHFFFAOYSA-N 400.544 3.487 0 40 HGAB COc1ccc(C(=O)N2CCN(C(=O)c3ccc(Br)cc3)CC2)cc1 12816477 URTFOEYWEYHGOO-UHFFFAOYSA-N 403.276 3.056 0 40 HGAB CCOC(=O)c1ccc(NC(=O)c2ccccc2S(=O)(=O)N2CCCCC2)cc1 12876369 FMKXDGAEEKFVDM-UHFFFAOYSA-N 416.499 3.290 0 40 HGAB CCNC(=O)[C@@H](C)Nc1nc(CN2CCCCC2)nc2sc3c(c12)CCCC3 12885243 REUWGEPYHBFWBY-CQSZACIVSA-N 401.580 3.493 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(=O)n(Cc2csc(-c3ccsc3)n2)c1 12950325 FRVLSFHUCZDTJQ-UHFFFAOYSA-N 409.558 3.112 0 40 HGAB O=C1CCCN1c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1Cl 12970416 VICOGBYWKGGOPF-UHFFFAOYSA-N 422.890 3.429 0 40 HGAB CCN(CC(=O)Nc1ccc(OC)cc1)C(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2 13016981 JSQLUTUQAGEFSZ-CYBMUJFWSA-N 413.499 3.229 0 40 HGAB CCN(CC)C(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C1 13682151 GFAFRIFSRRILNK-ZDUSSCGKSA-N 407.363 3.404 0 40 HGAB CCCCCOc1ccc(/C=c2\sc3nc(=O)c(-c4ccccc4)nn3c2=O)cc1 13809799 FSTVKBZRWDJSGJ-CYVLTUHYSA-N 419.506 3.295 0 40 HGAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N(C)CC(=O)NCc1ccco1 14113372 MILWGZOZWIJEDX-UHFFFAOYSA-N 405.813 3.424 0 40 HGAB CC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)N[C@H](C)c2cc3ccccc3o2)cc1 14313654 SNGCTTABEIMNRJ-CQSZACIVSA-N 414.483 3.133 0 40 HGAB COc1cc(NC(=O)[C@@H](C)Sc2nnc(NC[C@H]3CCCO3)s2)cc(OC)c1 14676469 HSRIJTQQVBMGAY-DGCLKSJQSA-N 424.548 3.266 0 40 HGAB O=C(COC(=O)c1ccccc1NCc1ccco1)NC[C@@H]1COc2ccccc2O1 15512928 DJZSYCUYJFISOT-QGZVFWFLSA-N 422.437 3.005 0 40 HGAB Cn1cc(-c2ccnc(N3CCCC3)n2)c([C@H]2CCCN2C(=O)[C@@H]2CC=CCC2)n1 19290192 JWVHYTZPXYHBFE-YLJYHZDGSA-N 406.534 3.497 0 40 HGAB C[C@@H](CC(=O)NC1CCN(Cc2cc(-c3ccccc3F)nn2C)CC1)n1cccn1 19455464 GRTNYLXUSZFFOR-KRWDZBQOSA-N 424.524 3.155 0 40 HGAB C[C@H](CC(=O)NC1CCN(Cc2cc(-c3ccccc3F)nn2C)CC1)n1cccn1 19455467 GRTNYLXUSZFFOR-QGZVFWFLSA-N 424.524 3.155 0 40 HGAB COCCC(=O)N1CC[C@](Cc2ccccc2-c2ccccc2F)(C(=O)N(C)C)C1 19579957 JLLYAMAGQRXPIO-XMMPIXPASA-N 412.505 3.379 0 40 HGAB CN(C)C(=O)[C@@]1(Cc2ccc(-c3ccc(F)cc3)cc2)CN(C(=O)C2CC2)CCO1 19580538 XDRCNVQWHWFYFV-XMMPIXPASA-N 410.489 3.131 0 40 HGAB Cc1nc([C@H]2CCN(Cc3ncc[nH]3)C2)nc2c1CCC(=O)N2CC1CCCCC1 19738902 IWTAGELQLDVKKT-SFHVURJKSA-N 408.550 3.357 0 40 HGAB O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)NCc1ccc(F)cc1 20010135 OLQVMBNEGXYTLD-UHFFFAOYSA-N 412.486 3.333 0 40 HGAB COc1ccc([C@H](C)NC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 20017838 DVICEWIIJKTFDN-HNNXBMFYSA-N 420.506 3.112 0 40 HGAB COc1ccc(S(=O)(=O)NC[C@@H](c2cn(C)c3ccccc23)N(C)C)cc1Cl 21696225 ZBMCSVKVDWAAEL-IBGZPJMESA-N 421.950 3.422 0 40 HGAB Cc1nc(-c2cccc(NC(=O)COC(=O)c3ccc4c(c3)OCC(=O)N4)c2)cs1 22261533 ILGXGQZDTHBOMI-UHFFFAOYSA-N 423.450 3.245 0 40 HGAB CCCOc1ccccc1CCCNC(=O)CN(c1cccc(F)c1)S(C)(=O)=O 22363324 ZVTYOHOYZXQCRO-UHFFFAOYSA-N 422.522 3.130 0 40 HGAB CS(=O)(=O)NC[C@H]1CCCCN1C(=O)c1ccc(C2SCCCS2)cc1 24678771 MDIKBRKGPOACPM-MRXNPFEDSA-N 414.618 3.099 0 40 HGAB COc1ccc(C(=O)c2ccccc2)c(OS(=O)(=O)c2ncn(C)c2Cl)c1 27944014 RQSJBANXIRMCNJ-UHFFFAOYSA-N 406.847 3.081 0 40 HGAB O=C(/C=C/c1cc(Cl)c2c(c1)OCO2)NC[C@H](c1cccs1)N1CCOCC1 29843918 FZPVLFMVLOMZAF-QDLOVBKTSA-N 420.918 3.333 0 40 HGAB Cc1ccc(CCC2CCN(C(=O)Cc3csc(NS(C)(=O)=O)n3)CC2)cc1 29975250 BIZVYKPICSHVRT-UHFFFAOYSA-N 421.588 3.237 0 40 HGAB CC1=C[C@@H](CNC(=O)NCCO)[C@H](C(C)C)C[C@H]1CC(=O)N(C)Cc1ccccc1 30880081 PLHKSYCYXBYXFV-FKBYEOEOSA-N 415.578 3.181 0 40 HGAB biogenic,in-vitro COC(=O)c1cn(-c2ccc(NC(=O)c3ccc(CN4CCCCC4)cc3)cc2)nn1 31779772 OHVRKPQBSLVYMX-UHFFFAOYSA-N 419.485 3.292 0 40 HGAB COc1ccc2oc(C(=O)OCC(=O)Nc3ccc4c(c3)CCN4C(C)=O)c(C)c2c1 32722838 PJQWOLLGXVCKOF-UHFFFAOYSA-N 422.437 3.454 0 40 HGAB CNc1nc(S[C@H](C)C(=O)NCc2ccc(OC)c(OC)c2)nc2ccccc12 32776154 IDHFTASMJHVQRI-CYBMUJFWSA-N 412.515 3.486 0 40 HGAB Cc1cc(NC(=O)[C@H](NC2CCN(C(=O)c3ccco3)CC2)c2ccccc2)no1 32899563 UIZSKLILYKGWOI-HXUWFJFHSA-N 408.458 3.150 0 40 HGAB Cc1cc(C(=O)COc2cccc3c2OC(C)(C)C3)c(C)n1[C@@H]1CCS(=O)(=O)C1 32910138 SNXBIXJAMYVOCO-QGZVFWFLSA-N 417.527 3.440 0 40 HGAB O=C([C@H]1CCCO1)N1CCN(c2nnc(-c3ccc(F)cc3)c3ccccc23)CC1 33010967 WFONJFFURRFARV-HXUWFJFHSA-N 406.461 3.264 0 40 HGAB COc1ccccc1NC(=O)Cn1cnc2c(-c3ccc(C)cc3)nsc2c1=O 33300032 XALXZLLJTHKKTQ-UHFFFAOYSA-N 406.467 3.476 0 40 HGAB O=C(Cc1csc(NC(=O)c2cnccn2)n1)Nc1nc(-c2ccco2)cs1 36657920 HDABDGLVQKJMPM-UHFFFAOYSA-N 412.456 3.083 0 40 HGAB CCN(CC(=O)Nc1ccc(F)c(Cl)c1)S(=O)(=O)c1cc(C)ccc1OC 39985652 DGIRBIFEJRUGBB-UHFFFAOYSA-N 414.886 3.445 0 40 HGAB COc1cccc([C@H](NC(=O)NCc2cnn(-c3ccccc3)c2)c2nccn2C)c1 40071901 IACHWTVFFKLPOT-NRFANRHFSA-N 416.485 3.203 0 40 HGAB O=C(Nc1ccccc1C(=O)NC1CCCC1)C1=NN(Cc2ccccc2)C(=O)CC1 40130278 NZDASZNOSBYTJB-UHFFFAOYSA-N 418.497 3.476 0 40 HGAB COC(=O)c1cnc(NC(=O)[C@@H]2CCCN(c3ncccc3C(F)(F)F)C2)s1 40131992 MRCAATWZBJIOOI-SNVBAGLBSA-N 414.409 3.199 0 40 HGAB CCCN(CCC)S(=O)(=O)c1c(C)nn(CC(=O)N[C@H]2CCCC[C@H]2C)c1C 40155634 UXRKAUBWJLDKRE-QAPCUYQASA-N 412.600 3.006 0 40 HGAB O=C(NC[C@H]1CCCO1)Nc1ccc(NC(=O)c2cc(-c3cccnc3)on2)cc1 45079832 IRFFQUCGUAEGHU-QGZVFWFLSA-N 407.430 3.289 0 40 HGAB O=C(CNC(=O)C(=O)Nc1cccc(Cl)c1)Nc1cc(Cl)ccc1Cl 47219400 AVQBFOHCCMIFOD-UHFFFAOYSA-N 400.649 3.340 0 40 HGAB CC[C@@]1(c2ccc(NS(=O)(=O)c3ccc(Cl)s3)cc2)CCC(=O)NC1=O 57121580 ZBKOGBIXFKCFRG-KRWDZBQOSA-N 412.920 3.287 0 40 HGAB CN(C)C(=O)N1CCC[C@@H](C(=O)Nc2nnc(CCCc3ccccc3)s2)C1 59745598 HGQBZJOLHZLUBH-MRXNPFEDSA-N 401.536 3.046 0 40 HGAB COc1cccc(NC2=NC(=O)S/C2=C\c2ccc(OCC(N)=O)c(OC)c2)c1 72401457 ARVLINMGDAZIBE-MFOYZWKCSA-N 413.455 3.286 0 40 HGAB COC(=O)CCNC(=O)[C@@H]1c2ccccc2C(=O)N(Cc2ccco2)C12CCCCC2 79474473 XVWBFFFXWZHKCG-NRFANRHFSA-N 424.497 3.401 0 40 HGAB CC(C)OC(=O)[C@@H](C)CNC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl 84621814 ONOMAMABXUBCMP-BLLLJJGKSA-N 415.317 3.302 0 40 HGAB COC(=O)C1CCN(CCCNC(=O)C2(Sc3ccccc3)CCCC2)CC1 95397998 GMLYYBGLSFZXNU-UHFFFAOYSA-N 404.576 3.483 0 40 HGAB CC[C@H](C)NC(=O)c1cccc(CNC(=O)c2cc(Br)ncc2F)c1 95992990 AMXPXILRETXLEK-NSHDSACASA-N 408.271 3.442 0 40 HGAB O=C(C[C@@H]1CC2(CCN(C(=O)C3CCOCC3)CC2)c2ccccc21)NCC1CC1 96079467 BMZGNNAPWOAVDM-HXUWFJFHSA-N 410.558 3.377 0 40 HGAB CN1CC2(CCN(Cc3ccc(F)cc3)CC2)COc2ccccc2S1(=O)=O 96145097 QVZJIMFXZBJZFT-UHFFFAOYSA-N 404.507 3.121 0 40 HGAB COCCCOc1cccc(CNC(=O)CCC(=O)N2CCC(c3ccccc3)=N2)c1 97229545 GKYPIANTCVOXRP-UHFFFAOYSA-N 423.513 3.135 0 40 HGAB Cc1nn(-c2ccccn2)c(N)c1[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1=O 101715468 YTQOHIGVFSROOM-AWEZNQCLSA-N 415.375 3.224 0 40 HGAB O=C(CSc1cccc[n+]1[O-])NCC12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2 101764383 UKIYXBRYVYZEEJ-JDPPGYRCSA-N 411.365 3.262 0 40 HGAB CCOCCCNS(=O)(=O)c1ccc(N[C@@H](C)c2ccccc2)c(C(=O)O)c1 217641817 RMUGFDGCOBGSJD-HNNXBMFYSA-N 406.504 3.263 0 40 HGAB Cc1cccc(C(=O)N2CCCc3cc(C(=O)NCCCN4CCOCC4)ccc32)c1 223085736 JAAUCSGUIBGTHI-UHFFFAOYSA-N 421.541 3.040 0 40 HGAB O=C(NCC1CCCCC1)[C@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1 223997479 HIPLWYBGMCVWSQ-OAQYLSRUSA-N 414.527 3.339 0 40 HGAB CCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)COc1ccccc1OC 224353106 ZEXDKWVLGSGDCH-SFHVURJKSA-N 402.466 3.157 0 40 HGAB Cc1ccc(N(CCCC(=O)NCCOc2ccc(C)c(C)c2)S(C)(=O)=O)cc1 224629409 GTQDBHFKZRUNJH-UHFFFAOYSA-N 418.559 3.353 0 40 HGAB COc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(F)c(Cl)c2)cc1Cl 224962357 ACUMWBAHLSZTFI-UHFFFAOYSA-N 408.234 3.421 0 40 HGAB FC(F)(F)c1cc(N2CCCCCC2)nc(NC(=S)NC[C@@H]2CCCO2)n1 225910272 PVFRVFQUZGLGOH-LBPRGKRZSA-N 403.474 3.341 0 40 HGAB O=C(CN1CCOCC1)N1CCCC[C@H]1c1ncc(Cc2ccccc2Cl)o1 257214921 CNYXOBKSLGWIHO-IBGZPJMESA-N 403.910 3.305 0 40 HGAB Cc1cc(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCCC[C@H]4N(C)[C@H]3Cc2ccccc2)nc(N)n1 257246078 ISJGZICXKLGCIV-CZLVRFMKSA-N 419.573 3.456 0 40 HGAB CN(C)CCOc1ccccc1C(=O)N1CCC[C@@H]1c1ccnc(-c2ccccn2)n1 257265103 LXIDCWQQVTUXNJ-OAQYLSRUSA-N 417.513 3.456 0 40 HGAB CCCNC(=O)Cc1c(C)nc([C@@H]2CCCN(C(=O)CC3CCCC3)C2)nc1C 257267653 MIGBHZSYVHXRKM-LJQANCHMSA-N 400.567 3.448 0 40 HGAB COc1cccc2c1OC(C)(C)[C@H]1C[C@@H]3CN(C(=O)CCCC(=O)O)CC[C@@H]3O[C@H]21 257343604 ZTRAZQAZLKTFDC-PCPGWFQFSA-N 417.502 3.416 0 40 HGAB Cc1ncsc1C(=O)N[C@@H]1CCCC[C@]12CN(C[C@@H]1C[C@@H]3C=C[C@H]1C3)CCO2 306124339 BMYJZPSYNRLJRA-IHZGOTPNSA-N 401.576 3.407 0 40 HGAB COc1ccc2c(c1C)CC[C@H]([C@]1(O)C(=O)Nc3ccc(Br)cc31)C2=O 408569392 WJXVAEMABCWXGZ-VBKZILBWSA-N 416.271 3.351 0 40 HGAB CCC[C@@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccc(OCC)c(Cl)c2)CC1 408584650 SNWWOKYPUJIFMW-CQSZACIVSA-N 416.971 3.444 0 40 HGAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCc2ccc(C)cc2)cc1Cl 408594813 PJDOBBQLXKIAPW-AWEZNQCLSA-N 410.923 3.030 0 40 HGAB COC[C@@H](C)NC(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1 408629956 LEXZPCDREWULHT-MRXNPFEDSA-N 424.950 3.303 0 40 HGAB Cc1ccc(C(=O)O)c(NC(=O)c2cccc(N3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4C3)c2)c1 408671818 LHXGMLXNIZMVSS-FEBSWUBLSA-N 416.433 3.257 0 40 HGAB COc1cc(C(=O)N2CCC(C(=O)Nc3cccc(F)c3)CC2)cc(OC)c1OC 409021458 IYLZCYWEMPPXHP-UHFFFAOYSA-N 416.449 3.342 0 40 HGAB Cc1cccc(C(=O)NCc2nnc(SCC(=O)Nc3ccc(C)cc3C)n2C)c1 409055641 AAEHYPKFOQASNI-UHFFFAOYSA-N 423.542 3.401 0 40 HGAB Cc1ccc(C(=O)N[C@H]2C(=O)N/[N+](=C\c3ccc(F)cc3)[C@@H]2c2ccc(C)cc2)cc1 409071073 OHFARTPJQPCRIF-VNGKGULCSA-O 416.476 3.459 0 40 HGAB Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CCC(Cc3ccccc3)CC2)cc1 409262930 GHHALSOJPDVTMP-GOSISDBHSA-N 400.544 3.143 0 40 HGAB COc1ccccc1-c1coc2c3c(cc(O)c2c1=O)OC(=O)C[C@@H]3c1cnn(C)c1 524729415 SRQOOPJNGAIMIA-CQSZACIVSA-N 418.405 3.349 0 40 HGAB biogenic CC(C)[C@H](NC(=O)c1c(-n2cnnn2)sc2c1CCC2)c1nc2ccccc2[nH]1 524734980 WVMYHMSUVCJVBA-KRWDZBQOSA-N 407.503 3.216 0 40 HGAB O=C(NCc1ccccc1CN1CC[C@@H](O)C1)c1cccnc1Nc1ccccc1F 541055168 RWKRBKXYKXVZMQ-LJQANCHMSA-N 420.488 3.461 0 40 HGAB O=C(c1ccc(F)c(F)c1F)N1CCC[C@@H](Oc2ncc(Br)cn2)C1 575611971 HQCAZUIZOVYPTN-SNVBAGLBSA-N 416.197 3.340 0 40 HGAB COCc1nc2n(n1)CCC[C@@H]2NC(=O)[C@@H]1C[C@]12CCOc1ccc(C(C)C)cc12 583621428 IXYGBZAHHIELNA-BSRJHKFKSA-N 410.518 3.239 0 40 HGAB CC(C)CN1c2cccnc2-n2cccc2[C@]12CCN(C(=O)Cc1ccccn1)C2 585107532 ZFOFZPRHNMOIFM-XMMPIXPASA-N 401.514 3.414 0 40 HGAB COc1cccc(-c2cc(C(=O)N3CCC[C@H](Oc4nc(C)cc(C)n4)C3)n(C)n2)c1 585147437 YYFGAQHNFBPNQF-IBGZPJMESA-N 421.501 3.186 0 40 HGAB Cc1nn(C)cc1C(=O)N1CCC[C@]2(CCCCCOc3ccccc3C(=O)NC2)C1 643559493 LLDKKRNNBMGSGT-DEOSSOPVSA-N 424.545 3.334 0 40 HGAB C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc3nc(O)nc(O)c3c2)C[C@H](c2ccccc2)C1 1561648626 PIYDSALBVHQZOR-NUEKZKHPSA-N 413.499 3.292 0 40 HGAB O=C(CCCc1nc2ccccc2[nH]1)N1CCCS(=O)(=O)C[C@@H]1c1ccccc1 1649088095 XXWLHABJNOFLII-HXUWFJFHSA-N 411.527 3.274 0 40 HGAB COc1ccccc1OCc1nnc(SCC(=O)Nc2ccccc2F)n1C 813777 YQFSFDNYNGTLRY-UHFFFAOYSA-N 402.451 3.273 0 40 HGAB CCOC(=O)c1ccc(N2C[C@@H](C(=O)OCC(=O)c3ccc(C)c(C)c3)CC2=O)cc1 993316 GXSIASDZTPPLIB-IBGZPJMESA-N 423.465 3.259 0 40 HGAB O=C(c1ccc2ccccc2n1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 2650392 DKZZQGWVGGUDTD-UHFFFAOYSA-N 415.902 3.035 0 40 HGAB CCOc1ccccc1CNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1 3048430 MNMHKYBPBABQKA-IBGZPJMESA-N 416.543 3.111 0 40 HGAB O=C(COC(=O)CNC(=O)c1ccccc1)Nc1ccc(OCc2ccccc2)cc1 3236856 LMLBFDARBWFWRH-UHFFFAOYSA-N 418.449 3.177 0 40 HGAB Cc1cc(=O)oc2c3c(cc(OCC(=O)NCc4ccccn4)c12)OC(C)(C)CC3 4000454 DPKLZDZMJVAYFY-UHFFFAOYSA-N 408.454 3.295 0 40 HGAB biogenic COc1ccc2cc(CCNC(=O)c3ccccc3Br)c(=O)[nH]c2c1 4032878 HMMNDJFFEQEEGT-UHFFFAOYSA-N 401.260 3.272 0 40 HGAB CS(=O)(=O)N(CCc1ccccc1)CC(=O)Nc1cccc(C(F)(F)F)c1 4776472 YSXYQUPPYBVLOU-UHFFFAOYSA-N 400.422 3.148 0 40 HGAB Cc1cccc(-c2cc3nc4c(c(N5CCN(c6cnccn6)CC5)n3n2)CCC4)c1 4966857 HUYYLBWPTXMAOK-UHFFFAOYSA-N 411.513 3.310 0 40 HGAB C[C@H](Nc1nc2c(c(=O)[nH]c(=O)n2C)n1CCCc1ccccc1)c1ccccc1 5054114 YJJOOBTXUWJLHF-INIZCTEOSA-N 403.486 3.229 0 40 HGAB Cc1cccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(Cl)cc3)CC2=O)c1C 5934667 MRIVKNPFMOQZNY-HNNXBMFYSA-N 400.862 3.492 0 40 HGAB CC(C)Cc1ccc([C@H](C)NC(=O)CSc2nnc(C(F)(F)F)n2N)cc1 5993666 BCDDUBUNGJHDNQ-NSHDSACASA-N 401.458 3.179 0 40 HGAB Cc1ccc(C)c(OCCC(=O)OCC(=O)N2c3ccccc3NC(=O)C2(C)C)c1 6034210 GXFCHBPBKSFQOU-UHFFFAOYSA-N 410.470 3.379 0 40 HGAB C[C@H](OC(=O)/C=C/c1ccc(Br)o1)C(=O)Nc1ccc2c(c1)OCO2 6066148 APGGCGAACZTZOF-QBBOHKLWSA-N 408.204 3.354 0 40 HGAB CC1CCN(S(=O)(=O)c2ccc(C(=O)OC[C@@H]3CC3(Cl)Cl)cc2)CC1 7210732 NENMJEDYFNOUFQ-AWEZNQCLSA-N 406.331 3.458 0 40 HGAB CN1CC(=O)N(CCCC(=O)Nc2nc(-c3ccc4c(c3)CCCC4)cs2)C1=O 7685207 QZOJLKRXOLVREA-UHFFFAOYSA-N 412.515 3.302 0 40 HGAB C[C@H](NS(=O)(=O)c1ccc(OC(F)(F)F)cc1)c1ccc(-n2cncn2)cc1 7701228 ZHGKBPVYQHJJBC-LBPRGKRZSA-N 412.393 3.205 0 40 HGAB CCN(CC(=O)NCc1cccs1)CC(=O)Nc1ccc(Br)cc1 7788971 HWQCSACNHZFHIY-UHFFFAOYSA-N 410.337 3.087 0 40 HGAB CCOc1ccc(NC(=O)c2cn(C)c3ccccc23)cc1S(=O)(=O)N(C)C 8146570 RZDDDYVRDFPCJO-UHFFFAOYSA-N 401.488 3.080 0 40 HGAB COc1ccccc1N(CC(=O)NCc1cccs1)S(=O)(=O)c1ccccc1 8752691 PJUUWAOZVRCNBD-UHFFFAOYSA-N 416.524 3.268 0 40 HGAB COC(=O)[C@](NC(=O)c1ccco1)(Nc1nc2c(C)cccc2s1)C(F)(F)F 9111419 ZQGVRGAMWIKYIS-INIZCTEOSA-N 413.377 3.471 0 40 HGAB Cc1csc(NC(=O)[C@@H]2Cc3ccccc3CN2S(=O)(=O)c2cccs2)n1 9284277 YSWRIWHCGASLAO-HNNXBMFYSA-N 419.553 3.267 0 40 HGAB O=C(O)C1CCN(C(=O)CCN2C(=O)S/C(=C\c3cccc(Cl)c3)C2=O)CC1 9348363 WELWGWKLUWRGDC-PTNGSMBKSA-N 422.890 3.090 0 40 HGAB O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)c2cncn2-c2ccccc2)CC1 9428808 HZUJZOCEOAYNFA-UHFFFAOYSA-N 418.453 3.092 0 40 HGAB COc1ccccc1-n1cnnc1SCC(=O)N1c2ccccc2NC(=O)C[C@H]1C 9866878 BOCVMFNUFPBQJL-CQSZACIVSA-N 423.498 3.132 0 40 HGAB O=c1[nH]nc(-c2cccs2)c2c1Nc1nnnn1[C@H]2c1ccc(Cl)cc1Cl 10297767 JQRBHVIPWBJKGL-AWEZNQCLSA-N 418.269 3.486 0 40 HGAB Cc1csc(NC(=O)CSc2ccc(NC(=O)c3cccc(F)c3)nn2)n1 11737964 GYFPNZMPBFGOCK-UHFFFAOYSA-N 403.464 3.364 0 40 HGAB CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCCN3C(=O)Cn3cc(C)cn3)cc2N1 12181383 UPPQAEJDGRBQAG-FVQBIDKESA-N 410.444 3.449 0 40 HGAB Cc1cccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)cc2)c1 12584069 FWTOUHZFLZWPPK-UHFFFAOYSA-N 422.466 3.218 0 40 HGAB COc1ccc([C@@H](C)NC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)cc1F 12806074 KETVPJZTEOOZTI-CYBMUJFWSA-N 406.479 3.038 0 40 HGAB Cc1cc(C(=O)O)cc(S(=O)(=O)N[C@H](CC(=O)O)c2ccc(Cl)cc2)c1C 13078841 IEPSRQDUYLKOJQ-OAHLLOKOSA-N 411.863 3.149 0 40 HGAB COc1cc(OC)cc(OCC(=O)Nc2ccccc2C(=O)NCc2cccnc2)c1 13684069 JUEMDBSSMAKVRG-UHFFFAOYSA-N 421.453 3.046 0 40 HGAB O=C(CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1)N1CCOC1=O 14113036 IBAQOTSYLLYDML-UHFFFAOYSA-N 418.862 3.311 0 40 HGAB C[C@@H]1CCCC[C@H]1NC(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 14799989 LFSPNHUTZUXZIQ-CXAGYDPISA-N 400.491 3.060 0 40 HGAB O=C(COC(=O)c1cc(=O)[nH]c2ccccc12)Nc1ccc(Br)cc1F 15981931 TYQFNKOGTDDZBU-UHFFFAOYSA-N 419.206 3.225 0 40 HGAB CN(CC(=O)Nc1cccc(Br)c1)S(=O)(=O)c1ccc(Cl)cc1 16028337 AHCSRRCIEITEMR-UHFFFAOYSA-N 417.712 3.362 0 40 HGAB O=C1C[C@@H](N2CCCC[C@H]2CCO)C(=O)N1c1ccc(Cl)c(C(F)(F)F)c1 17083048 PBAVITCTMCJRJB-XHDPSFHLSA-N 404.816 3.228 0 40 HGAB COc1ccccc1O[C@@H](C)C(=O)N1CCC(c2noc(-c3cnc(C)cn3)n2)CC1 19239037 GHVHXESJTHEMLS-HNNXBMFYSA-N 423.473 3.017 0 40 HGAB CCCC(=O)N1CCC[C@@H]([C@@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)OCC)c3N2)C1 19501260 FPNRLRCMGCPJAS-VHDGCEQUSA-N 416.444 3.386 0 40 HGAB COc1ccc([C@@H]2c3nc[nH]c3CCN2C(=O)c2cc(C)nc3onc(C)c23)cc1 19662726 MEQJRGNZBVHONG-HXUWFJFHSA-N 403.442 3.359 0 40 HGAB CCC(=O)N1CCC[C@H](c2nc(C)c3c(n2)N(CCCc2ccccc2)C(=O)C3)C1 19744414 HSBFTSVYUFFYFA-IBGZPJMESA-N 406.530 3.423 0 40 HGAB COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)CSCc1ccccc1 19934461 RXHPPCYYPUOTMY-UHFFFAOYSA-N 408.545 3.254 0 40 HGAB Cc1ccc([C@@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)c(C)c1 20492130 HPQYJMBKLVJVQU-GOSISDBHSA-N 416.543 3.124 0 40 HGAB O=C(CN1N=C(c2ccccc2)c2ccccc2S1(=O)=O)Nc1ccccc1F 21942400 DJSGHUZONYVCHQ-UHFFFAOYSA-N 409.442 3.221 0 40 HGAB CCOC(=O)N1CCC(NC(=O)CCc2nc(-c3ccc(Cl)cc3)no2)CC1 21970621 ZAOGAOBKRHHFNT-UHFFFAOYSA-N 406.870 3.060 0 40 HGAB CN(c1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1)S(C)(=O)=O 22230584 SREALPIMVNIIQP-UHFFFAOYSA-N 402.394 3.119 0 40 HGAB C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@H](CN4CCN(C5CCCCC5)CC4)[C@H]3[C@H](O)[C@@]21C 22456932 FXYPTAKKGKQTFF-VEMNPONZSA-N 416.606 3.222 0 40 HGAB biogenic COc1ccc2c(CC(=O)NC[C@H](c3cccs3)N3CCOCC3)coc2c1 22760211 VLGGPPDUUZWGOO-GOSISDBHSA-N 400.500 3.235 0 40 HGAB Cc1cc(-n2c(C)cc(/C=C/C(=O)Nc3ccc(N4CCOCC4)nc3)c2C)no1 22995332 ATQPHDUSLLJSSG-QPJJXVBHSA-N 407.474 3.274 0 40 HGAB NC(=O)c1ccc(CN(C(=O)COc2ccc(Br)cc2F)C2CC2)cc1 23056992 PFFKPHMHUKTKBJ-UHFFFAOYSA-N 421.266 3.257 0 40 HGAB CN1CCN(CC(=O)Nc2ccc(Oc3ccc(Br)cc3)cc2)CC1 23467761 BFIYVULCTOOZBM-UHFFFAOYSA-N 404.308 3.427 0 40 HGAB Cc1sc2nc(-c3cccs3)nc(NC[C@H](O)CN3CCOCC3)c2c1C 23935276 PNKRBLFNRIVBLA-AWEZNQCLSA-N 404.561 3.142 0 40 HGAB COc1ccc(S[C@@H](C)C(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)cc1OC 30751380 NQTSHQXVFOAPSE-ZDUSSCGKSA-N 424.544 3.219 0 40 HGAB CCOc1ccccc1CNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1C 30867315 IRWFHUHFWGYNHA-UHFFFAOYSA-N 402.516 3.108 0 40 HGAB CC[C@@H](Oc1ccccc1Cl)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 30868677 BPRIITSMDHDYIH-GOSISDBHSA-N 422.934 3.031 0 40 HGAB O=C(NCC(F)(F)F)c1ccc(S(=O)(=O)Nc2cccc(-c3ccn[nH]3)c2)cc1 31534703 NHPNTIJTBSFKSW-UHFFFAOYSA-N 424.404 3.170 0 40 HGAB O=C(/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N[C@H]1CCS(=O)(=O)C1 31612435 WYZDOFILQRKESC-ISUDXETCSA-N 401.328 3.041 0 40 HGAB COc1ccc([C@@H](CNC(=O)c2cnn(-c3ccccc3)n2)N2CCCCC2)cc1 32674348 GKDGTVDHWOVYOR-JOCHJYFZSA-N 405.502 3.233 0 40 HGAB CCN(CC)c1nc2ccsc2c(=O)n1CCC(=O)NCCCc1ccccc1 33308903 LNTSHSBXTULAAF-UHFFFAOYSA-N 412.559 3.443 0 40 HGAB O=S(=O)(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(Cl)s1 33713958 HMRQCKDZITZUIW-UHFFFAOYSA-N 420.965 3.377 0 40 HGAB COc1ccc(-n2ncc(C(=O)N[C@@H](C)c3ccc(F)cc3)c2C(F)(F)F)nn1 36694617 KCOUQXMILVRLKQ-JTQLQIEISA-N 409.343 3.320 0 40 HGAB Cn1nc(NC(=O)c2cc3ccccc3oc2=O)c2c1NC(=O)C[C@@H]2c1cccs1 36705573 ZIROQKJOKGHBFP-GFCCVEGCSA-N 420.450 3.314 0 40 HGAB CCN1C(=O)/C(=C/c2cn(CC(=O)N3CCCC[C@@H]3C)c3ccccc23)N(C)C1=S 39556659 OCFCDGIIUSPNMM-SMEDBKPVSA-N 424.570 3.462 0 40 HGAB COc1cccc(N2CCN(C(=O)C[C@@H](NC(C)=O)c3ccc(Cl)cc3)CC2)c1 39977611 DQYLERORAKGMRF-OAQYLSRUSA-N 415.921 3.265 0 40 HGAB COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)c1ccc(-n2ccc(C)n2)cc1 40132546 PWBGYXKJMCBZBA-UHFFFAOYSA-N 420.469 3.056 0 40 HGAB CC(=O)Nc1ccc(OC[C@@H](O)CN2CCO[C@H](c3ccc(Cl)cc3)C2)cc1 40153714 DNQXLQNQLCXTLJ-FPOVZHCZSA-N 404.894 3.112 0 40 HGAB CCc1noc(-c2ccc(NC(=O)[C@@H]3CC(=O)N(c4ccc(OC)cc4)C3)cc2)n1 46018810 BRAKTYKJPBJWSO-OAHLLOKOSA-N 406.442 3.299 0 40 HGAB CCOc1ccccc1CN(C)S(=O)(=O)c1ccc2c(c1)CCCN2C(C)=O 55268803 FBYSPTRSRRPIQH-UHFFFAOYSA-N 402.516 3.205 0 40 HGAB COc1ccc(N2C[C@H](C(=O)N3CCc4cc(Br)ccc43)CC2=O)cc1 60129565 RWYRLDJAMZGOTK-CQSZACIVSA-N 415.287 3.400 0 40 HGAB Cc1nnnn1-c1ccc(F)c(NC(=O)COc2ccc(Br)cc2F)c1 65565344 YXVQKQAKBAEMNL-UHFFFAOYSA-N 424.205 3.029 0 40 HGAB CCOc1ccc(NS(=O)(=O)c2n[nH]cc2C(=O)Nc2ccc(C)cc2)cc1 67245492 VFVNELFDVNEHMV-UHFFFAOYSA-N 400.460 3.170 0 40 HGAB NC(=O)COc1ccc(C(=O)N2CCC[C@@H]2c2cccc(Br)c2)cc1 69324307 CQPPXWITIOLTMX-QGZVFWFLSA-N 403.276 3.291 0 40 HGAB CC(C)NC(=O)N1CCCCC[C@H]1C1CCN(Cc2cccc(C(N)=O)c2)CC1 69817101 DBZTVXLQVMWMEM-NRFANRHFSA-N 400.567 3.360 0 40 HGAB COc1ccc(NC(=O)[C@]23CCC(=O)N2c2ccccc2C(=O)N3CC(C)C)cc1 71745264 GRMZCIPHHBSLFF-QHCPKHFHSA-N 407.470 3.269 0 40 HGAB COC(=O)c1sccc1S(=O)(=O)N1CCC(CSCc2ccco2)CC1 90608441 NSGRQCBDAQNTFA-UHFFFAOYSA-N 415.558 3.462 0 40 HGAB CC[C@@H](C)N(CC(=O)OC(C)(C)C)S(=O)(=O)c1c(F)cc(NC(C)=O)cc1F 95443797 KZCZYSNNCQIWCP-LLVKDONJSA-N 420.478 3.054 0 40 HGAB COc1ccccc1OCC(=O)Nc1ccc2c(c1)C(=O)N(C)c1cccnc1O2 95478030 ASUFXHDBTTXPTQ-UHFFFAOYSA-N 405.410 3.490 0 40 HGAB COC(=O)C[C@H](c1oc(CSc2ccccc2F)cc(=O)c1O)c1ccnn1C 95479517 RZITUBSCKAGJJF-ZDUSSCGKSA-N 418.446 3.205 0 40 HGAB CNS(=O)(=O)c1ccc(NC(=O)[C@H](Sc2ccccc2)c2ccccc2)nc1 96006653 YWZPQTUZVBJFSU-LJQANCHMSA-N 413.524 3.462 0 40 HGAB COc1ccc2c(c1)[C@@H](CCNC(=O)c1ccc(-n3nc(C)cc3C)cc1)C(=O)N2 100782720 UMQSELDAIGJWEU-LJQANCHMSA-N 404.470 3.354 0 40 HGAB COCCn1/c(=N/C(=O)c2cc3ccccc3oc2=O)sc2cc(OC)ccc21 100873157 LNCNRZXUQRKLQN-DQRAZIAOSA-N 410.451 3.205 0 40 HGAB C[C@H](NC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)[C@@H]1C[C@H]2CC[C@H]1C2 107133692 ZKPMRPACCARHHJ-WBKMXMRLSA-N 404.576 3.345 0 40 HGAB Cc1ccc(OC[C@@H](C)NC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)cc1 219256766 MFMUPHRFKUKSGA-MRXNPFEDSA-N 422.572 3.041 0 40 HGAB CC[C@H](C(=O)NCCOc1ccc(C)cc1)N(c1cc(C)cc(C)c1)S(C)(=O)=O 220576694 JDJYRGYHQWUDJZ-OAQYLSRUSA-N 418.559 3.352 0 40 HGAB COCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccccc1 222850191 JBCBROVTDOFVGX-KRWDZBQOSA-N 418.921 3.289 0 40 HGAB CN(C)CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1Cc1ccccn1 223240468 UIMDSFULHUEBFI-VXKWHMMOSA-N 420.586 3.251 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCc3ccc(C)c(C)c3)CC2)cc1 223251514 SGSFACQDVGVDKZ-UHFFFAOYSA-N 400.544 3.078 0 40 HGAB CN(c1cccc(C(=O)NCCCN2CCCCC2)c1)S(=O)(=O)c1ccccc1 224254420 YVQZLCWMPLKFKD-UHFFFAOYSA-N 415.559 3.118 0 40 HGAB CCOC(=O)[C@]1(CN)[C@@H](S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1cccc(Cl)c1 225661612 FYDSZLRCGNAQST-BJLQDIEVSA-N 407.919 3.096 0 40 HGAB COc1ccc(-c2csc(NC(=O)CN3CC[C@H](OC)[C@]4(CCCO4)C3)n2)cc1 257222512 DTODUGWAHJJULW-RXVVDRJESA-N 417.531 3.027 0 40 HGAB COCCC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4cccc(C(=O)O)c4)OCC[C@@]31C2 257235118 GWNDCPWXZKWCGS-ZIVVNCDHSA-N 401.503 3.420 0 40 HGAB COc1ccc(N(CC(=O)Nc2c(C)cc(C)cc2C)S(C)(=O)=O)cc1OC 409133296 RZLSDHTUXSCPKP-UHFFFAOYSA-N 406.504 3.034 0 40 HGAB CCn1c(SCC(=O)Nc2ccccn2)nnc1[C@@H](C)NC(=O)c1ccc(C)cc1 409137365 WCIDGFKLBFJXNA-OAHLLOKOSA-N 424.530 3.223 0 40 HGAB O=C(CN1C(=O)S/C(=C/c2ccc(F)cc2)C1=O)Nc1ccc2c(c1)OCCO2 409207706 XUFCPNGXBUYMBC-RQZCQDPDSA-N 414.414 3.272 0 40 HGAB CCC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)NCc2ccccc2)cc1C 409387591 AREPOFDFIGSKPJ-KRWDZBQOSA-N 404.532 3.157 0 40 HGAB CC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 409393770 XVWDCHLRQSHOKO-MRXNPFEDSA-N 402.516 3.122 0 40 HGAB NS(=O)(=O)c1ccc2c(c1)[C@H](NCCc1nc(C(F)(F)F)cs1)CCC2 562080783 GHEKJAOMJOONDC-CYBMUJFWSA-N 405.467 3.019 0 40 HGAB O=C(O)c1ccc(S(=O)(=O)N[C@@H]2CCc3ccc(F)cc32)c(OC(F)(F)F)c1 578823500 CMBORDDNQDFJMI-CYBMUJFWSA-N 419.352 3.388 0 40 HGAB Cc1ccc(Cl)cc1N1CC[C@H](CNC(=O)NCc2nnc3n2CCCCC3)C1 588185239 KGWVRHLXGPBDMS-MRXNPFEDSA-N 416.957 3.292 0 40 HGAB Nc1ncccc1C(=O)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 643573958 SXJZUPOTMZORKW-UHFFFAOYSA-N 423.513 3.235 0 40 HGAB O=C(c1ccc2ncsc2c1)N1CCN(c2ccnc(C(F)(F)F)c2)C(=O)C1 1775973702 QTCDZLDANLUNID-UHFFFAOYSA-N 406.389 3.199 0 40 HGAB Brc1ccc2nc(N3CCC[C@@H](COc4cnccn4)C3)ncc2c1 2298229053 IGIYOTQTNIDEKA-CYBMUJFWSA-N 400.280 3.478 0 40 HGAB CC1=C(C(N)=O)[C@H](c2ccc(Cl)cc2)N2NC(c3ccc(Cl)cc3)=NC2=N1 940658 YIJNLXJAFACITG-INIZCTEOSA-N 400.269 3.430 0 40 HGAB CCOC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)COc1ccc(Cl)cc1 1782145 NPOZQZFWCWCTDP-LJQANCHMSA-N 400.862 3.491 0 40 HGAB CCOC(=O)c1ccc(NC(=O)COC(=O)/C=C/c2ccc(OC)c(OC)c2)cc1 1962055 CIWFFDWYUASBQO-WUXMJOGZSA-N 413.426 3.076 0 40 HGAB CCN(CC)CCNC(=O)/C(=C/c1cn(C)c2ccccc12)NC(=O)c1ccccc1 2249378 XILCOPRXUYGLES-XLNRJJMWSA-N 418.541 3.407 0 40 HGAB CCN(CC)C(=S)SCC(=O)Nc1ncc2c(n1)C[C@H](c1ccco1)CC2=O 2409856 GVDMVIACXGJOAF-LBPRGKRZSA-N 418.544 3.281 0 40 HGAB NS(=O)(=O)c1ccc(CCNC(=O)CSc2cc(Cl)ccc2Cl)cc1 3229450 QMHGTGKRQHMZHO-UHFFFAOYSA-N 419.355 3.092 0 40 HGAB O=C(COC(=O)c1cccc2ccccc12)NC(=O)Nc1ccc2c(c1)OCCO2 3438467 QCARZTPCPXLWPG-UHFFFAOYSA-N 406.394 3.116 0 40 HGAB C[C@@]1(c2ccccc2Cl)NC(=O)N(CC(=O)NCc2cccc(Cl)c2)C1=O 3519348 XTGQHIPJWNUKAA-IBGZPJMESA-N 406.269 3.077 0 40 HGAB COc1ccc(CCNC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)cc1 3608359 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414.458 3.230 0 40 HGAB COc1ccccc1NC(=O)C1=C(C)Nc2nc(CCCO)nn2[C@H]1c1ccccc1 6307997 MQFQZNSUJILWLR-NRFANRHFSA-N 419.485 3.139 0 40 HGAB CN(CCOc1ccc(Cl)cc1)C(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 6310264 KUBXPNDYXGLYGE-UHFFFAOYSA-N 422.934 3.276 0 40 HGAB C[C@@H]1CCCCN1C(=O)COC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1 6623436 WYGDOCHJTHSKLH-MRXNPFEDSA-N 416.499 3.045 0 40 HGAB CC(=O)N/C(=C/c1ccccc1)C(=O)OCC(=O)c1cc(C)n(C[C@@H]2CCCO2)c1C 6903123 RLEQAGLNGNOKMT-BOURKTIISA-N 424.497 3.187 0 40 HGAB CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)Nc2ccc(C)c(F)c2)cc1 7525413 MRZWCYAYHDEOCF-UHFFFAOYSA-N 406.479 3.376 0 40 HGAB CN(CC(=O)Nc1ccc(N2CCCC2)cc1)Cc1ccccc1N1CCOCC1 8132898 OHMOMDMPMHQPEU-UHFFFAOYSA-N 408.546 3.194 0 40 HGAB Cc1cccc(OCCNC(=O)CCNS(=O)(=O)c2ccc3ccccc3c2)c1 8429842 LZVHKXKWDLDSKT-UHFFFAOYSA-N 412.511 3.012 0 40 HGAB COc1ccc(OC)c(C2=NO[C@]3(C(=O)Nc4ccccc43)[C@@H]2C(=O)c2ccco2)c1 9043557 TWQSYBDEUGQNEV-CVDCTZTESA-N 418.405 3.378 0 40 HGAB Cc1ccc(NC(=O)CSc2nnc(-c3cc(-c4ccc(F)cc4)n[nH]3)n2N)cc1 9488152 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CC1=NN(C(=O)c2ccn(COc3ccc(Cl)c(C)c3)n2)[C@@](O)(C(F)(F)F)C1 13960044 UGVGAZWLAPWEIA-INIZCTEOSA-N 416.787 3.354 0 40 HGAB Cc1ccc(C)c([C@@H](C)NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)c1 14573721 XGHPCGOSBSWBJB-GOSISDBHSA-N 416.543 3.124 0 40 HGAB Cc1cc(C)c(S(=O)(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)c(C)c1 14870424 NAXDHJCQUCMPBX-KRWDZBQOSA-N 402.516 3.321 0 40 HGAB COc1ccc(S(=O)(=O)NCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 15739634 FJHCKYFYCLNURJ-UHFFFAOYSA-N 422.812 3.284 0 40 HGAB CCN(Cc1ccccc1)C(=O)c1ccc(N2C(=O)C(C)(C)CS2(=O)=O)cc1 15843096 NAKIONYSDMDRHA-UHFFFAOYSA-N 400.500 3.052 0 40 HGAB COc1ccc(Cl)cc1NC(=O)CN(C)S(=O)(=O)c1ccc2c(c1)CCCC2 16084004 OEPCNVIUOYYREW-UHFFFAOYSA-N 422.934 3.487 0 40 HGAB CCCCCn1nc(C(=O)Nc2cccc(S(C)(=O)=O)c2)c2ccccc2c1=O 16783453 YIHZZMDBYDLWSD-UHFFFAOYSA-N 413.499 3.243 0 40 HGAB CC(=O)NCCc1ccc(C(=O)CSc2nnc(-c3ccoc3C)n2C)s1 16810519 OTYVKAHOKJFANQ-UHFFFAOYSA-N 404.517 3.099 0 40 HGAB COc1ccc(CC(=O)NCCNc2nc(-c3ccncc3)cc3ncccc23)cc1 19554374 PQBCTMQLGXKWHT-UHFFFAOYSA-N 413.481 3.471 0 40 HGAB O=C(c1n[nH]c2c1CCC2)N1CC[C@@H](c2cc(COc3cccc(Cl)c3)[nH]n2)C1 19704677 DLDKHHGUBIZZFB-CYBMUJFWSA-N 411.893 3.484 0 40 HGAB Cc1ncc(C(=O)N2CCC(c3nc(C)c4c(n3)N(CC3CC3)CCC4)CC2)c(C)n1 19706666 WXUAQTBYWAJTPB-UHFFFAOYSA-N 420.561 3.374 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)N(C)Cc1ccc(Cl)cc1 20459687 BOSXBUIFLYBBPN-UHFFFAOYSA-N 422.934 3.405 0 40 HGAB CCOC(=O)[C@@](NC(=O)c1ccccc1)(N1CCc2ccccc2C1)C(F)(F)F 20792352 XCBZKRPMTVWSPY-HXUWFJFHSA-N 406.404 3.296 0 40 HGAB CCOC(=O)c1ccc(NC(=O)COc2cc(C)nc(N3CCC(C)CC3)n2)cc1 21360728 RVBHNFYURONNLZ-UHFFFAOYSA-N 412.490 3.216 0 40 HGAB O=C(NCCc1ccc2c(c1)OCO2)c1ccccc1SCC(=O)N1CCCC1 24380674 YFLFMIXIYPMSNQ-UHFFFAOYSA-N 412.511 3.102 0 40 HGAB O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)s1)N[C@H]1CCOc2ccccc21 25177766 FTTFWRKSGKJVLW-KRWDZBQOSA-N 420.556 3.105 0 40 HGAB CN(Cc1nc(N)c2c3c(sc2n1)CCCCC3)Cc1nc2ccccc2c(=O)[nH]1 27347280 RYORRCGIYXJTRD-UHFFFAOYSA-N 420.542 3.411 0 40 HGAB COc1ccc(NC(=O)c2cc(-c3cccs3)n([C@@H]3CCS(=O)(=O)C3)n2)cc1 33325457 AQOQYKSYIWAQTK-CQSZACIVSA-N 417.512 3.232 0 40 HGAB COc1ccc(CCNC(=O)CC[C@H]2N=C(O)N([C@H](C)c3ccccc3)C2=O)cc1 36589987 ZODZSWWMELADRT-OXQOHEQNSA-N 409.486 3.020 0 40 HGAB biogenic CCOc1ccc(S(=O)(=O)N(CC)CC(=O)N[C@@H](C)c2ccccc2)cc1C 39986167 DISMBLWRUXSQJN-KRWDZBQOSA-N 404.532 3.282 0 40 HGAB COc1ccc(CCN(C)C(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1OC 40009569 NZKGHZVQXSSHFU-QGZVFWFLSA-N 406.523 3.352 0 40 HGAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cccc([C@]2(C)NC(=O)NC2=O)c1 40117760 HDNRCYUJFHXQAR-FQEVSTJZSA-N 401.850 3.191 0 40 HGAB CC(C)C(=O)Nc1cccc(CNC(=O)Nc2ccccc2CN2CCOCC2)c1 40152317 TVZFXQKMZXGFHQ-UHFFFAOYSA-N 410.518 3.435 0 40 HGAB O=C(NCc1cc(F)cc(Br)c1)NC[C@@H]1CCN(CC(F)(F)F)C1 57249355 JWQUUDGOTOAZIE-JTQLQIEISA-N 412.225 3.272 0 40 HGAB Cn1c(C(=O)NCc2ccc(-n3ccnc3)nc2)c(Br)c2ccccc21 58416555 LDCDOFUDQNNMLU-UHFFFAOYSA-N 410.275 3.452 0 40 HGAB CC(C)[C@@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)N1CCCN2CCC[C@@H]2C1 65585907 IKPGIWCZSXJBSX-ISKFKSNPSA-N 407.558 3.220 0 40 HGAB COc1ccc(CNC(=O)c2cn(-c3ccc(-c4nc(C5CC5)no4)cn3)cn2)cc1 71768267 BVEHYSPXAPIDNK-UHFFFAOYSA-N 416.441 3.133 0 40 HGAB COC(=O)c1cc(C)nc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)n1 72240742 VKPJKGXPJKGJBK-UHFFFAOYSA-N 402.498 3.483 0 40 HGAB CC(=O)c1ccc(NC(=O)COC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@H](C)N3)cc1 80338692 KHWQWPVOKANOHX-BONVTDFDSA-N 424.379 3.189 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CSCc3cccc(C)c3)CC2)cc1 89638932 PKZVDVAHZYAMFF-UHFFFAOYSA-N 418.584 3.070 0 40 HGAB CCc1nc(NC(=O)CN2C=Cc3cc(OC)c(OC)cc3CC2=O)sc1C 95478780 YRJICYDRKCBTCK-UHFFFAOYSA-N 401.488 3.025 0 40 HGAB O=C(O)CCCCCCNC(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1 95970465 BTMZTYRYQZTETJ-UHFFFAOYSA-N 403.500 3.425 0 40 HGAB Cn1cnc2c(-c3cccnc3)nc(C3CCN(C(=O)C4CCOCC4)CC3)cc21 96099956 IMFOOWDDDTYAHK-UHFFFAOYSA-N 405.502 3.163 0 40 HGAB Cc1cc(C(=O)N2CCC3(CC2)c2ncc(-c4cccc(F)c4)n2CCN3C)no1 96144953 FJSSTQJNFCEMMV-UHFFFAOYSA-N 409.465 3.063 0 40 HGAB Cc1cc(C)cc(NC(=O)CN2N=N[C@@H]3C(=O)N(c4ccc(C(C)C)cc4)C(=O)[C@H]32)c1 96286232 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101493094 AMBJEXTVJMLPHM-GASCZTMLSA-N 423.560 3.184 0 40 HGAB Cc1ccc(NC(=O)c2c(N3C(=O)[C@H]4[C@H]5CC[C@@H](O5)[C@@H]4C3=O)sc3c2CCC3)cc1 102637958 XAOGRONEMHVGDY-LTDCPUDJSA-N 422.506 3.464 0 40 HGAB COc1ccc(-c2csc(C3=C(O)CN(CCCN4CCOCC4)C3=N)n2)cc1 102724125 OAFMLMOXHMFZFT-UHFFFAOYSA-N 414.531 3.103 0 40 HGAB COc1ccc(-c2n[nH]c(=S)n2CC(=O)/N=c2/sc3ccccc3n2C)cc1 104679074 VLRHAHBUTOKMOF-FMQUCBEESA-N 411.512 3.297 0 40 HGAB CCOC[C@]1(N)[C@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 218232609 QTBIGFUQEKULKR-QYZOEREBSA-N 424.360 3.431 0 40 HGAB COC(=O)c1cccc(NC(=O)c2cc(N(C)S(C)(=O)=O)ccc2Cl)c1C 222496575 VDPOIPDACNNXRS-UHFFFAOYSA-N 410.879 3.083 0 40 HGAB COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)Cc1ccc(Cl)cc1F 224829840 GLPRLZJPPKUQKL-UHFFFAOYSA-N 414.886 3.356 0 40 HGAB CNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CSCc1ccc(OC)cc1 225214932 PFRCZOQDBCAMEP-QGZVFWFLSA-N 400.544 3.400 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(C(=O)NCc2ccnc(-c3cccnc3)c2)cc1 225640600 RGOVLGXGDDXIJE-UHFFFAOYSA-N 424.526 3.104 0 40 HGAB O=C(C1CC1)N1CCc2cc(S(=O)(=O)NCCSC3CCCCC3)ccc21 225759489 FPXJGCRYHFTUTC-UHFFFAOYSA-N 408.589 3.330 0 40 HGAB CSc1ccc(S(=O)(=O)N(C)CC(=O)NCc2cccc(OC(C)C)c2)cc1 225832374 UABYHTLEBOSLDY-UHFFFAOYSA-N 422.572 3.133 0 40 HGAB O=C1[C@@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C(=O)N1CN(C(=O)C(F)(F)F)c1ccccc1Cl 226400804 JVRDQUOEXUDOPB-HKBMDRHJSA-N 424.806 3.246 0 40 HGAB Cc1nccn1CC(=O)N1CCC(c2noc(-c3cc(-c4cccs4)n[nH]3)n2)CC1 253473238 SYZQMBIHFXYQBD-UHFFFAOYSA-N 423.502 3.099 0 40 HGAB C[C@@H]1Cc2cc(C(=O)N3[C@H]4CC[C@H]3CC(O)(c3ccc5c(c3)OCO5)C4)ccc2O1 253594324 XXJPTRWOUWLBSQ-CCKFTAQKSA-N 407.466 3.394 0 40 HGAB Cc1ccc(C(=O)NC[C@H]2C[C@@]3(C)[C@@H](O)CCCC[C@H]3N2C(=O)OC(C)(C)C)cn1 257219754 DHZWYKURGSFQPL-CROMWVBPSA-N 417.550 3.439 0 40 HGAB COc1ccc(N([C@@H](C)C(=O)NC[C@H](C)c2ccccc2)S(C)(=O)=O)cc1Cl 260844103 FGSYSJGSQSLKBD-GJZGRUSLSA-N 424.950 3.423 0 40 HGAB CCc1ccc(CN2CCC(c3nnc4ccc(-c5ccnn5C)nn34)CC2)cc1 306124924 CCHDVYMRTNARKV-UHFFFAOYSA-N 401.518 3.467 0 40 HGAB CCOc1cc(C(=S)NCCN2CCOCC2)ccc1OCc1ccccc1 408574740 MMQDVIVAJLOJOS-UHFFFAOYSA-N 400.544 3.262 0 40 HGAB CCOC(=O)CSC1=NC(C)=C(C(=O)OCC)[C@@H](c2ccccc2OCC)N1 408992259 SOIJTIZEURYFHC-GOSISDBHSA-N 406.504 3.219 0 40 HGAB COCCNC(=O)Cn1cc(/C=C2\SC(=O)N(CC(C)C)C2=O)c2ccccc21 409139030 LNHSQUAZWFRECF-ZDLGFXPLSA-N 415.515 3.096 0 40 HGAB COc1ccccc1OCc1nnc(SCC(=O)N[C@@H]2CCCC[C@@H]2C)n1C 409341455 AYQLJEWJDRZMOY-LSDHHAIUSA-N 404.536 3.190 0 40 HGAB Cc1cccc(NC(=O)CN2C(=O)S/C(=C3\C(=O)Nc4ccccc43)C2=O)c1C 409345753 NNSLPEWUHYSSNW-ZCXUNETKSA-N 407.451 3.301 0 40 HGAB CC(C)CCNC(=O)COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 409390857 LWGBIVSETNLCEG-UHFFFAOYSA-N 416.543 3.369 0 40 HGAB COc1cc2c(cc1OC)[C@H](NC(=O)Cn1ccc3c(NC(C)=O)cccc31)CC2 524733367 LVLGTUMIFKWNKK-LJQANCHMSA-N 407.470 3.421 0 40 HGAB O=C(NC[C@H]1OCCc2ccccc21)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1 603341605 XUSVLVRENOYKDQ-GOSISDBHSA-N 405.903 3.077 0 40 HGAB O=c1ccc(-c2ccccc2)nn1C1CCN(S(=O)(=O)C2CCCCC2)CC1 1776001465 UWOFZKPMQIOMAF-UHFFFAOYSA-N 401.532 3.210 0 40 HGAB Cc1cnc(N(C)[C@H]2CCCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)C2)nc1 1889212081 FZACZJVEMRASKB-HNNXBMFYSA-N 414.453 3.093 0 40 HGAB Cn1c(CNC(=O)c2cccs2)nnc1SCC(=O)Nc1ccc(Cl)cc1 633992 FUARFEKOESXPQS-UHFFFAOYSA-N 421.935 3.191 0 40 HGAB O=S(=O)(c1cccc(-c2nn(CN3CCCCC3)c(=S)o2)c1)N1CCCCC1 3224524 KYZWDMSQSOGFII-UHFFFAOYSA-N 422.576 3.491 0 40 HGAB COCCNC(=O)CSc1nnc(-c2ccccc2F)n1CCc1ccccc1 3365097 OTHPLFXHOSUHFM-UHFFFAOYSA-N 414.506 3.182 0 40 HGAB CN(CC(=O)Nc1ccccc1N1CCOCC1)Cc1ccc(Br)cc1 3540517 RIWCBUYZZHLVCZ-UHFFFAOYSA-N 418.335 3.356 0 40 HGAB O=C1N(c2ccccc2)[C@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(Br)c1 4393420 BRFOYTWRAVZXFK-HOTGVXAUSA-N 407.289 3.061 0 40 HGAB COc1cc([C@@H]2CC(=O)N(c3ccc(C)cc3)C3=C2C(=O)OC3)cc(OC)c1OC 4519916 BCNQGURKKGTSKN-INIZCTEOSA-N 409.438 3.352 0 40 HGAB CCOC(=O)[C@H]1CCCN([C@H](c2cccs2)c2sc3nc(CC)nn3c2O)C1 4584759 UDDGGNMQFSPRFE-SWLSCSKDSA-N 420.560 3.485 0 40 HGAB CC(C)CC(=O)NC(=S)Nc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1 4621658 GDCXFRYHEJOTII-UHFFFAOYSA-N 419.572 3.366 0 40 HGAB Cc1occc1-c1nnc(SCC(=O)N2CCC(C)CC2)n1C[C@H]1CCCO1 4860275 FJCPFFOYUNPFGQ-MRXNPFEDSA-N 404.536 3.376 0 40 HGAB O=C(c1ccc(NS(=O)(=O)c2ccccc2)cc1)N1CCN(c2ccccc2)CC1 5203478 ZIXWKFMZIRBEFA-UHFFFAOYSA-N 421.522 3.450 0 40 HGAB C[C@@H](OC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)C(=O)Nc1ccc2ccccc2c1 5239877 ZMQYETYYAGOBNK-CRAIPNDOSA-N 406.438 3.352 0 40 HGAB C[C@H](OC(=O)/C=C/c1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc(C(N)=O)cc1 5448005 GRLMOSWJSOEEQF-QNCMIEPLSA-N 406.360 3.388 0 40 HGAB CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)OCc1ccccc1 5733334 AXXCQAWGCJGDKN-ZWKOTPCHSA-N 404.507 3.270 0 40 HGAB CCO[C@H]1C[C@@H](n2cnc3c(Nc4ccc(Cl)cc4)nc(C)nc32)[C@H](O)CO1 5812292 OEEHBHGFJYAGQG-BZUAXINKSA-N 403.870 3.217 0 40 HGAB COc1ccc(N2C(SCCCc3ccccc3)=N[C@@H]3CS(=O)(=O)C[C@H]32)cc1 6719283 PNMWPBHMBSPDJX-WOJBJXKFSA-N 416.568 3.403 0 40 HGAB COc1ccc(-c2nonc2NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1OC 6747712 FBJPCNDWEDHIKJ-UHFFFAOYSA-N 415.402 3.032 0 40 HGAB COc1ccc(OCc2nnc(SCC(=O)N3CCc4ccccc43)n2C)cc1 7007365 TYWFQYZOGMMZHO-UHFFFAOYSA-N 410.499 3.084 0 40 HGAB Cc1cc(S(N)(=O)=O)cc(NC(=O)c2ccc(COc3ccccc3)o2)c1C 8010793 CXEJJXJSPFAIFY-UHFFFAOYSA-N 400.456 3.375 0 40 HGAB CC(=O)c1cccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)c1 8039912 NXRNSVCMGSHGPS-OAHLLOKOSA-N 414.845 3.077 0 40 HGAB O=C(COc1ccc(Cl)cc1Cl)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 8130965 MCUXSZXETOTBTC-CQSZACIVSA-N 406.331 3.331 0 40 HGAB COc1ccc(C(=O)NCCc2ccccc2)cc1S(=O)(=O)NC1CCCCC1 8475762 RQYQNCYIMHURHP-UHFFFAOYSA-N 416.543 3.279 0 40 HGAB COc1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1C(=O)N1CCCCC1 8560512 AHJSRVJHJBRVLN-UHFFFAOYSA-N 414.527 3.068 0 40 HGAB C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)c1cc(C2CC2)nn1-c1ccccc1 8733739 FDMLWMABWVLYRA-OAHLLOKOSA-N 424.526 3.230 0 40 HGAB COc1ccc(Cn2nnnc2S[C@@H](C(=O)N2CCCC2)c2ccccc2)cc1 9582857 UHFGCUMZNVPTSQ-LJQANCHMSA-N 409.515 3.186 0 40 HGAB O=S(=O)(N[C@@H](Cc1ccsc1)c1cccnc1)c1ccc2c(c1)OCCO2 12228755 SIZAFNAQEYMJFA-KRWDZBQOSA-N 402.497 3.177 0 40 HGAB COc1cc(CNC(=O)[C@@H]2[C@@H]3[C@H]2CC[C@@]32CC(=O)c3ccccc3O2)cc(OC)c1 12327674 CMVHSIXDJRAZPD-GDXZIDHASA-N 407.466 3.380 0 40 HGAB CN(Cc1ccccc1)C(=O)C[C@@H]1CCNC[C@@H]1Cc1cc(CN2CCCCC2)on1 12482406 CDAJNUUQIPMYQD-VXKWHMMOSA-N 424.589 3.477 0 40 HGAB biogenic,in-vitro CCCn1c(=O)n(CN2CCN(c3ccc(C(C)=O)cc3F)CC2)c2ccccc21 12544091 UMIXHVHQCWBKPY-UHFFFAOYSA-N 410.493 3.334 0 40 HGAB O=C(Nc1cccc(NS(=O)(=O)c2ccc(F)c(C(=O)O)c2)c1)c1ccco1 12605415 ZUAHDQAZROLVLD-UHFFFAOYSA-N 404.375 3.170 0 40 HGAB COc1ccc(C)cc1CN(C)C(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CCC3 12808760 FJTRILATHZMSEV-UHFFFAOYSA-N 411.527 3.382 0 40 HGAB O=C(c1cn(-c2ccccc2)nc1-c1ccccc1)N1CCN(C(=O)C2CC2)CC1 12809314 NDOAXADLYWUCNV-UHFFFAOYSA-N 400.482 3.234 0 40 HGAB O=C(NCc1ccc(N2CCOCC2)nc1)c1ccccc1C(=O)c1ccc(F)cc1 12891678 LQHMCUFEQQAXPO-UHFFFAOYSA-N 419.456 3.218 0 40 HGAB Cc1nn(-c2ccccc2)c(C)c1C(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1 12988257 FPZYLLHXQWISKB-UHFFFAOYSA-N 410.499 3.182 0 40 HGAB Cc1ccn(C[C@@H](C)C(=O)N2CCC[C@@H](c3nc4ccc(F)cc4cc3C(N)=O)C2)n1 13227730 IJLITVBQPOADSP-GDBMZVCRSA-N 423.492 3.020 0 40 HGAB CCCN1C(=O)/C(=c2\sc3nc(-c4cccc(Cl)c4)nn3c2=O)c2ccccc21 13511548 VYKHYIYKMQMWJQ-MSUUIHNZSA-N 422.897 3.146 0 40 HGAB COc1cc2c(cc1NC(=O)C(=O)NC[C@@H](O)c1ccccc1)oc1ccccc12 13655889 VPSSZELNTPBCFU-GOSISDBHSA-N 404.422 3.383 0 40 HGAB CC[C@@H](C(=O)NCc1ccccc1OC)N(c1ccc(Cl)cc1)S(C)(=O)=O 13714361 ALSDRYVULKBBBJ-KRWDZBQOSA-N 410.923 3.210 0 40 HGAB O=C(OCc1cc(=O)n2ccccc2n1)c1nccnc1-c1nc2ccccc2s1 18375200 FCDNUTOBUDCYPJ-UHFFFAOYSA-N 415.434 3.118 0 40 HGAB Cc1cc(N2CCN(C(=O)c3ccccc3Cn3cncn3)CC2)nc2ccccc12 19118985 GSQAFIZVJDREFB-UHFFFAOYSA-N 412.497 3.145 0 40 HGAB COc1ccccc1-c1ccccc1C[C@@H]1CN(C(=O)c2cc(C)no2)CCNC1=O 19119949 LRROYIJRTYGWEE-GOSISDBHSA-N 419.481 3.090 0 40 HGAB CC(C)CC(=O)N1CCO[C@](Cc2cccc(-c3ccncc3)c2)(C(=O)NC2CC2)C1 19446544 LTCLCBSMCQIFCL-VWLOTQADSA-N 421.541 3.213 0 40 HGAB CC(C)c1cc(C(=O)N2CCC[C@@H](C(=O)c3cnn(-c4ccc(F)cc4)c3N)C2)[nH]n1 19451787 JBKLYXMBDNCKLO-CQSZACIVSA-N 424.480 3.175 0 40 HGAB CCc1ncc(CN2CCC[C@@](Cc3cccc(-c4ccncc4)c3)(C(N)=O)C2)cn1 19523367 RPHQQOASVSFMKS-VWLOTQADSA-N 415.541 3.411 0 40 HGAB CCNC(=O)[C@@]1(Cc2cccc(-c3cccs3)c2)CCN(C(=O)[C@@H]2CCCO2)C1 19528862 DCIGSEPPHBJXRF-WMZHIEFXSA-N 412.555 3.491 0 40 HGAB CCn1c(C)nc2cc(NC(=O)[C@H](C)CN3CCN(c4ccccn4)CC3)ccc21 19717664 HDZSYJZYSNUAJD-QGZVFWFLSA-N 406.534 3.156 0 40 HGAB COc1ccccc1OC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCCC1 22391602 LBCMBBYOXXNIPS-UHFFFAOYSA-N 418.515 3.155 0 40 HGAB COC(=O)c1ccccc1NC(=O)/C(=C/c1ccco1)n1nnnc1-c1ccccc1 23054939 QPUJNGVYWSNNOR-RGEXLXHISA-N 415.409 3.357 0 40 HGAB CN1CCN(c2ccc(CNC(=O)Cc3ccc(-c4ccccc4)cc3)cn2)CC1 23318166 HEIMRRVNRPIGRY-UHFFFAOYSA-N 400.526 3.359 0 40 HGAB Cc1ccccc1C(=O)N1CCC(C(=O)O[C@H](C)C(=O)N(C)Cc2ccccc2)CC1 25054171 WLHNDOXZHZMXCW-LJQANCHMSA-N 422.525 3.438 0 40 HGAB COc1ccccc1CN(C)C(=O)[C@@H](C)N(c1cc(Cl)ccc1C)S(C)(=O)=O 30863221 WTSINGKRDIBMSF-OAHLLOKOSA-N 424.950 3.470 0 40 HGAB O=C(CN1C(=O)COc2cc(Br)ccc21)N1CCCc2ccccc21 31729409 NPSRLJZTLYWRRB-UHFFFAOYSA-N 401.260 3.154 0 40 HGAB CC(=O)N(c1ccccc1)c1nc(COC(=O)c2ccccc2-n2cnnn2)cs1 32708072 FHOWFRPVQQHBEH-UHFFFAOYSA-N 420.454 3.160 0 40 HGAB CSCC[C@H](NC(=O)COc1ccccc1)C(=O)N(C)Cc1cccc(F)c1 33000152 NVGGNQSKLAEKBC-IBGZPJMESA-N 404.507 3.101 0 40 HGAB CC(=O)Nc1ccc(NC(=O)CN2C(=O)NC3(CCC(C(C)(C)C)CC3)C2=O)cc1 36705908 PGXMHPFWGCJBNF-UHFFFAOYSA-N 414.506 3.110 0 40 HGAB CS(=O)(=O)N1CC[C@H](C(=O)Nc2ccc(C(F)(F)F)cc2)Oc2ccccc21 38860523 CMVWRLBVDVRQMK-MRXNPFEDSA-N 414.405 3.261 0 40 HGAB Cc1cc(CN2CCN(C(=O)c3cccc(NC(=O)c4cccs4)c3)CC2)no1 39985508 AWJNYNMXTUYQPY-UHFFFAOYSA-N 410.499 3.255 0 40 HGAB COc1cc2c(cc1NC(=O)N1CCN(C(=O)[C@H]3CCCO3)CC1)oc1ccccc12 40097958 HYBSCXPDUPTBMW-LJQANCHMSA-N 423.469 3.450 0 40 HGAB O=C(NC[C@H](O)COc1ccccc1)Nc1cc(C(F)(F)F)ccc1-n1cccn1 40104233 WEXOMDJPTAALQY-HNNXBMFYSA-N 420.391 3.453 0 40 HGAB CC1CCN(CCNC(=O)[C@H](NC(=O)C23CC4CC(CC(C4)C2)C3)C(C)C)CC1 40108075 ZONZAERYUVJOFV-PJVWNMJMSA-N 403.611 3.192 0 40 HGAB NC(=O)N[C@@H](CC(=O)NCc1cccnc1Oc1cccc(F)c1)c1cccs1 43050099 PKAHRBLPKRLNFL-INIZCTEOSA-N 414.462 3.490 0 40 HGAB CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H](Cn2ccnc2)C(C)(C)C)cc1 48265006 YOAQGXRLCQNWEG-SFHVURJKSA-N 421.567 3.148 0 40 HGAB COc1ccc(-n2cc(C(=O)O)c3c2[C@H](c2ccc(O)cc2)CC(=O)N3)c(OC)c1 49543233 KNQDXDOCQRZHTO-HNNXBMFYSA-N 408.410 3.372 0 40 HGAB biogenic O=C([C@@H](c1ccccc1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1)N1CCCC1 53517364 IBUWFKCJYTZUJT-JOCHJYFZSA-N 404.514 3.330 0 40 HGAB CC[C@]1(c2ccc(NS(=O)(=O)c3ccc(Cl)s3)cc2)CCC(=O)NC1=O 57121579 ZBKOGBIXFKCFRG-QGZVFWFLSA-N 412.920 3.287 0 40 HGAB CCc1cc(=O)n(CC(=O)Nc2cc(OC)cc(OC)c2)c(-c2cccc(F)c2)n1 57508211 ZNQOHRBWAZSUBS-UHFFFAOYSA-N 411.433 3.268 0 40 HGAB CC(C)CCn1c(=O)c2ccccc2n(CC(=O)Nc2cc(F)cc(F)c2)c1=O 57526176 TUHHVNDQQZEWLO-UHFFFAOYSA-N 401.413 3.126 0 40 HGAB C[C@@H]1CCCN(c2nc3ncn(CC(=O)N4CCCc5ccccc54)c(=O)c3s2)C1 67226029 WEDUJELKDYUBKR-OAHLLOKOSA-N 423.542 3.069 0 40 HGAB CCc1c(C)noc1-c1cnc(NCCn2nccc2C)nc1-c1cnc(C)cn1 72337677 SCSGEMYTLKZVFV-UHFFFAOYSA-N 404.478 3.385 0 40 HGAB Cc1nn(C)cc1CN1CC[C@H](c2c(C(=O)N3CCOCC3)sc3ccccc23)C1 72352452 OKXKARQQTPGSHX-KRWDZBQOSA-N 424.570 3.405 0 40 HGAB CNc1cc([C@@H]2CCCN(Cc3ccc(C)cc3OC)C2)nc(CN(C)C(C)=O)n1 72370148 OOQPRKRKEVORNU-GOSISDBHSA-N 411.550 3.193 0 40 HGAB CN(C)c1ncc(-c2cccc(F)c2)c([C@@H]2CCCN(C(=O)c3ccnn3C)C2)n1 72376664 BJEZLSPAXQYNCZ-MRXNPFEDSA-N 408.481 3.102 0 40 HGAB CC(C)C(=O)N1CCO[C@@](Cc2cccc(-c3ccccc3)c2)(C(=O)NC2CC2)C1 72389114 FGIPHLVSNRUQKF-RUZDIDTESA-N 406.526 3.428 0 40 HGAB CCC(CC)[C@H](O)CNC(=O)CC[C@H](CC(C)C)C(=O)NC[C@H](O)C(CC)CC 79104677 PPVAOFNKWFBDOU-NJYVYQBISA-N 414.631 3.256 0 40 HGAB CC(C)[C@@H](NC(=O)c1ccc(F)cc1)C(=O)NC[C@H]1CCCN1Cc1ccccc1 89791053 IXXGBLUGLVDKAX-FGZHOGPDSA-N 411.521 3.361 0 40 HGAB Cc1ccc(CNC(=O)C2=NO[C@@]3(CCCN(C(=O)c4sccc4C)C3)C2)cc1 96225371 VCHDCJAWLCIUOX-QFIPXVFZSA-N 411.527 3.432 0 40 HGAB CO[C@H]1CC[C@H](C(=O)N2CCC(Cn3nc(-c4ccccc4)ccc3=O)CC2)CC1 100131465 IXVNRSRANVAZDI-OYRHEFFESA-N 409.530 3.354 0 40 HGAB Cc1ccccc1NC(=O)CN1N=N[C@H]2C(=O)N(c3ccc(C(C)C)cc3)C(=O)[C@@H]21 101417097 LMUKJIPTFKIWLY-WOJBJXKFSA-N 405.458 3.050 0 40 HGAB CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)[C@H]1[C@@H]2CC[C@H](O2)[C@@H]1C(=O)O 102026205 CULPHZBOVMVYRW-OTRWWLKZSA-N 415.467 3.409 0 40 HGAB Cc1cc(-c2csc(NC(=O)CCN3C(=O)[C@H]4CCCC[C@H]4C3=O)n2)c(C)n1C 102812472 AMZMDVHNICPKDT-GASCZTMLSA-N 414.531 3.269 0 40 HGAB O=C(c1cccc(S(=O)(=O)Nc2ccccc2)c1)N1CCN(c2ccccc2)CC1 112939123 LRLCWRWFGNHJCL-UHFFFAOYSA-N 421.522 3.450 0 40 HGAB CCc1nnc([C@@H]2C(=N)S/C(=C\c3ccc(OCCC(=O)O)cc3)C2=O)s1 137249847 MJZPBEFJAUFLMJ-MJSFNCRCSA-N 403.485 3.372 0 40 HGAB C[C@H](NS(=O)(=O)c1cc(C(=O)O)ccc1NC[C@H]1CCCO1)c1ccccc1 217479087 ZIHZJTRDIMVJNK-WMLDXEAASA-N 404.488 3.015 0 40 HGAB CC[C@@H](C(=O)NCCN(C)c1ccccc1)N(c1cc(C)cc(C)c1)S(C)(=O)=O 220578785 RTOZFHBZDCAROD-NRFANRHFSA-N 417.575 3.101 0 40 HGAB Cc1sc2ncc(C(=O)N3CCc4cc(Br)ccc43)c(=O)n2c1C 223036768 NTUCZPYONSEWSK-UHFFFAOYSA-N 404.289 3.338 0 40 HGAB CCCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)COc1ccccc1OC 223515415 WVAAXYMEVKDHBT-IBGZPJMESA-N 412.530 3.450 0 40 HGAB CC(C)(Cc1ccccc1)NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 223801881 YQIQIJQJWVMLNA-UHFFFAOYSA-N 414.571 3.366 0 40 HGAB O=C(NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)Nc1ccc(Cl)cc1 224339487 AOTWOMOZFKSOTL-UHFFFAOYSA-N 423.922 3.325 0 40 HGAB COc1ccc(C(=O)NCc2ccccc2)cc1CN(C)S(=O)(=O)c1ccccc1 224766175 NBJKTHNNNHHETI-UHFFFAOYSA-N 424.522 3.446 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=S)Nc1ccc(F)cc1 225459267 IYOQPOQCVMOUJD-UHFFFAOYSA-N 409.508 3.428 0 40 HGAB COc1ccc(C)cc1N([C@@H](C)C(=O)N[C@H](C)CCc1ccccc1)S(C)(=O)=O 260592369 VPWHIGYBXAFMAH-MSOLQXFVSA-N 418.559 3.296 0 40 HGAB CN(C)C(=O)N1CCC(CNC(=O)c2cc(Br)ccc2Cl)CC1 390830508 LNFUXSXGKVGIRP-UHFFFAOYSA-N 402.720 3.226 0 40 HGAB CCc1ccc(NC(=O)CSc2nnc(CNC(=O)c3ccccc3C)n2C)cc1 409058342 NWRKRGAPEUSGOM-UHFFFAOYSA-N 423.542 3.347 0 40 HGAB O=C(COC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)Nc1ccc(F)c(Cl)c1 409127053 BXGRPPOHUKBPRF-LLVKDONJSA-N 408.788 3.153 0 40 HGAB CN(Cc1ccon1)C(=O)CC(C)(CC(=O)N(C)Cc1ccon1)c1ccccc1 505591456 BZUYKKYZLKIWLE-UHFFFAOYSA-N 410.474 3.018 0 40 HGAB Cc1c(CC(=O)NC[C@@H]2CCCN3CCCC[C@H]23)c(=O)oc2cc(O)c(Cl)cc12 524730169 YHPBADKBWDKNOE-KBXCAEBGSA-N 418.921 3.384 0 40 HGAB biogenic CCS(=O)(=O)NCC(=O)N1CCC[C@@H]1c1nc(-c2ccccc2)c(C(C)C)o1 536190359 DQFCTMDEZZRBSO-MRXNPFEDSA-N 405.520 3.068 0 40 HGAB O=C(N=c1cc[nH]c2ccc(Oc3ccccc3)cc12)N1CCO[C@]2(CCOC2)C1 578177638 ZYTPLZMEYVWHKS-HSZRJFAPSA-N 405.454 3.472 0 40 HGAB Cc1oc(C(C)(C)C)cc1C(=O)N1CCC[C@@]2(CCN2CC(=O)N2CCCC2)C1 585101972 NRWIASJYTIBYNG-HSZRJFAPSA-N 401.551 3.188 0 40 HGAB CC(C)COC(=O)NC1CC2(CCN(Cc3ccnc(N4CCOCC4)c3)CC2)C1 585104331 ZDMVBZUULMWTDQ-UHFFFAOYSA-N 416.566 3.045 0 40 HGAB COCCOC(=O)N1CCC2(CC1)Cc1ccccc1CN(Cc1ccncc1)C2=O 585105867 VQRVUMJDWSDQLR-UHFFFAOYSA-N 423.513 3.032 0 40 HGAB Cc1nc(CN2CCCN([C@H](C)C(=O)N3CCSc4ccccc43)CC2)oc1C 592194862 DJJPAPFPPZPVTI-QGZVFWFLSA-N 414.575 3.327 0 40 HGAB O=S(=O)(NC[C@H](O)c1ccc(-c2ccco2)s1)c1cccc2nsnc12 1775968391 FLANWXDGMPMHAX-NSHDSACASA-N 407.498 3.025 0 40 HGAB FC(F)(Cl)Oc1ccc(Nc2nc(-n3ccnc3)nc(-n3ccnc3)n2)cc1 720403 AJTQUYALKCVCPN-UHFFFAOYSA-N 404.768 3.155 0 40 HGAB COc1ccc(NC(=O)COC(=O)c2ccccc2I)cc1 1943594 LROAMMGLSQVGBR-UHFFFAOYSA-N 411.195 3.095 0 40 HGAB O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)Nc1ccc(Cl)cc1Cl 3594921 GOEFJVYWKZPKJO-LJQANCHMSA-N 404.253 3.325 0 40 HGAB CCCCCn1c(=O)c2c(nc3n(Cc4ccc(OC)cc4)c(C)c(C)n23)n(C)c1=O 4314076 FQTVMJASKCXAFY-UHFFFAOYSA-N 423.517 3.013 0 40 HGAB C[C@H](NC(=O)COc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccccc1 4778233 DRQVGWXMHFDPNV-KRWDZBQOSA-N 402.516 3.117 0 40 HGAB Cc1cccc(N(CC(=O)NC2CCCC2)C(=O)CCC(=O)Nc2nccs2)c1 4848314 LMSWLJXHYCWSRH-UHFFFAOYSA-N 414.531 3.262 0 40 HGAB COc1ccc(-c2noc(CCC(=O)N3CCN(c4ccccc4F)CC3)n2)cc1 4901505 ZICSONYJRWNSDY-UHFFFAOYSA-N 410.449 3.166 0 40 HGAB CCCCNC(=O)CN1CC[C@@]2(O)CCCC[C@@H]2[C@@H]1c1cc(OC)ccc1OC 5184090 QUMWUHGCJYLWBL-OIBXWCBGSA-N 404.551 3.288 0 40 HGAB COc1cc(N(CC(=O)O)S(=O)(=O)c2ccc(F)cc2)c(Cl)cc1Cl 5356933 JSMNOGCEMWOWFN-UHFFFAOYSA-N 408.234 3.421 0 40 HGAB Cc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc2)cc1 5601960 CMIMUZHNHLPFLP-IAGOWNOFSA-N 422.572 3.462 0 40 HGAB COc1ccc(Cl)cc1C(=O)NC(=S)Nc1ccc(N2CCN(C)CC2)cc1 6287964 DIELTMCRNJNNPR-UHFFFAOYSA-N 418.950 3.227 0 40 HGAB CCc1ccccc1NC(=O)CN(C)C(=O)CSc1n[nH]c(-c2ccccc2)n1 6497091 JPXXSJVNNSDPQW-UHFFFAOYSA-N 409.515 3.223 0 40 HGAB COc1cc(C(=O)NCc2nc(-c3ccccc3Cl)no2)cc(OC)c1OC 6677972 YZORNRHVMHXETC-UHFFFAOYSA-N 403.822 3.346 0 40 HGAB C[C@@H]1CCCC[C@H]1NC(=O)C1CCC(Cn2c(=O)[nH]c3ccsc3c2=O)CC1 6732956 HAKNQFRIVVXCPC-PRLABOORSA-N 403.548 3.253 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(OC)c(NCC(=O)Nc2ccccc2C)c1 7975766 PGUIDZWVBRCVOG-UHFFFAOYSA-N 405.520 3.085 0 40 HGAB O=C(CN1C(=O)NC2(CCCCC2)C1=O)Oc1ccc(C(=O)c2ccccc2)cc1 7983641 LDXKDRNKCZMYEW-UHFFFAOYSA-N 406.438 3.078 0 40 HGAB COc1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccc(C)c(C)c2)c(OC)c1 8414297 AYMKLBOMNPVIFA-UHFFFAOYSA-N 414.458 3.221 0 40 HGAB CCSc1nc(NC(C)C)c2cnn(CCNC(=O)Cc3ccc(F)cc3)c2n1 8948655 ZSLFNNJWAKDSBX-UHFFFAOYSA-N 416.526 3.257 0 40 HGAB CCN(CC)c1ccc(N/C(C)=C2\C(=O)NC(=O)N(Cc3ccccc3)C2=O)cc1 8974673 YOKINWYFHNSJDT-CAPFRKAQSA-N 406.486 3.497 0 40 HGAB Cc1cc(=O)n2c(n1)NC(N1CCC(N3CCCCC3)CC1)=N[C@@H]2[C@@H]1CC=CCC1 9289507 GSIKTTRSOHBPIU-NQIIRXRSSA-N 410.566 3.138 0 40 HGAB COc1cc(NC(=O)C(=O)Nc2nc3ccccc3s2)ccc1N1CCCC1=O 9317810 KWWRJPZSVJUHHG-UHFFFAOYSA-N 410.455 3.009 0 40 HGAB O=C(Cn1c(CO)cnc1SCc1ccc(Br)cc1)NC1CCCC1 9827619 UZUNIZXUNWWAPK-UHFFFAOYSA-N 424.364 3.489 0 40 HGAB C[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)Nc1ccc(Cl)cc1 10041445 KKTDZIGHHLBITR-SNVBAGLBSA-N 417.712 3.408 0 40 HGAB COc1ccc([C@H](NC(=O)c2cccc(N3CCCS3(=O)=O)c2)C(C)C)cc1 11971934 HBIQTWDUQITUTC-HXUWFJFHSA-N 402.516 3.362 0 40 HGAB O=C(Cc1ccc(F)cc1Cl)N1CCC[C@H]1Cn1nnc(-c2cccs2)n1 12085250 VJWFBPGJSIBGEC-AWEZNQCLSA-N 405.886 3.428 0 40 HGAB O=C(CN1CC2(CCOCC2)Oc2ccc(Cl)cc2C1=O)N1CCCCCC1 12087125 WQNGXGHRQMTQIA-UHFFFAOYSA-N 406.910 3.126 0 40 HGAB O=C(Nc1ccc2c(c1)OCO2)c1cc(N2CCCCS2(=O)=O)ccc1Cl 12195906 NGLFDDVSBNAWLX-UHFFFAOYSA-N 408.863 3.251 0 40 HGAB CC(=O)NC1(c2ccccc2F)CCN(Cc2cnc(N3CCCCC3)nc2)CC1 12292995 MUSLBUVVWXBWKE-UHFFFAOYSA-N 411.525 3.233 0 40 HGAB CCOc1ccc(NCC(=O)N(c2ccccc2)C(C)C)cc1S(=O)(=O)N(C)C 12523365 VAIHMWLZPVFCCN-UHFFFAOYSA-N 419.547 3.189 0 40 HGAB Cc1cc(=O)n2nc(CSc3nnc(-c4ccccc4F)n3C3CC3)sc2n1 12791450 MGQWBXYHVLYSID-UHFFFAOYSA-N 414.491 3.484 0 40 HGAB CCCN(CC(=O)Nc1ccccc1C)C(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 12934593 VNKDBYWHKRYHHW-HXUWFJFHSA-N 407.514 3.221 0 40 HGAB CCN(Cc1ccc2c(c1)OCO2)C(=O)COC(=O)COc1cc(C)ccc1Cl 13160497 ZMDISTSWUBNBHM-UHFFFAOYSA-N 419.861 3.348 0 40 HGAB COc1ccccc1NC(=O)Cn1c2ccc(F)cc2c2nc3n(c(=O)c21)CCS3 13568143 MJIKQZYDJKDBGN-UHFFFAOYSA-N 424.457 3.243 0 40 HGAB O=C(Nc1ccc(F)c(Cl)c1)N1CCN(c2ccc3nnc(C4CC4)n3n2)CC1 13701097 PBEUAVQJWWREAX-UHFFFAOYSA-N 415.860 3.148 0 40 HGAB Cn1c(CCCNC(=O)[C@H]2CCCO2)nc2cc(NC(=O)Nc3ccccc3)ccc21 13719515 HAYFAEUSXSFQTG-HXUWFJFHSA-N 421.501 3.445 0 40 HGAB Cc1cc(NC(=O)[C@@H](C)OC(=O)C[C@@H]2Sc3ccc(Cl)cc3NC2=O)on1 14146082 ULWFLSAPLJDIDT-RNCFNFMXSA-N 409.851 3.010 0 40 HGAB Cc1ccc(NC(=O)[C@@H](CC(C)C)NC2=NS(=O)(=O)c3ccccc32)cc1F 14169953 BERPOGVKMLCAJB-QGZVFWFLSA-N 403.479 3.226 0 40 HGAB COc1cc2c(=O)n(C3CCCCC3)c(=O)n(CC(=O)c3ccco3)c2cc1OC 14607133 XFYUQDLDHNRVRI-UHFFFAOYSA-N 412.442 3.162 0 40 HGAB O=C(Nc1ccccc1Br)c1ccc(S(=O)(=O)N2CCCC2)cc1 15350161 ZGQXYGDSAQIQSD-UHFFFAOYSA-N 409.305 3.486 0 40 HGAB CC(C)(C)NC(=O)CN1CCN(C(=O)CSc2cc(Cl)ccc2Cl)CC1 15414775 OYQKUQYWVLZOIR-UHFFFAOYSA-N 418.390 3.144 0 40 HGAB O=C([C@@H]1CN(C(=O)c2cccc(Cl)c2Cl)c2ccccc2O1)N1CCOCC1 16964317 WODVMKBZHNNLBZ-KRWDZBQOSA-N 421.280 3.260 0 40 HGAB Cc1cc(C)cc(S(=O)(=O)NCCn2nc(-c3ccc(Cl)cc3)ccc2=O)c1 17010944 KEOIRXUVYXURLO-UHFFFAOYSA-N 417.918 3.159 0 40 HGAB CC(C)(C)C1CCN(C(=O)CN2CC[C@@H](c3cc(=O)n4c(n3)CCCCC4)C2)CC1 19082361 HPZVFIVUJOWLKF-GOSISDBHSA-N 414.594 3.044 0 40 HGAB Cc1ccc2c(c1)C(=O)CC1(CCN(C(=O)c3cc(-c4cnn(C)c4C)[nH]n3)CC1)O2 19218267 GSPDQATVORKZJM-UHFFFAOYSA-N 419.485 3.067 0 40 HGAB CO[C@@H]1CCC[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)c2cc(=O)[nH]c(C)n2)C1 19240965 WMHKQPFECQSXQT-MDYRTPRTSA-N 408.502 3.165 0 40 HGAB CCn1cc(S(=O)(=O)N2CCC[C@H]2c2nnc(-c3nccc4ccccc34)o2)cn1 19525044 ROBDPVXOPXQZKM-KRWDZBQOSA-N 424.486 3.027 0 40 HGAB Cc1cc(S(=O)(=O)[C@@H](CN2C(=O)c3ccccc3C2=O)c2cccnc2)ccc1F 19941872 ZNVVYNCZOONQAL-FQEVSTJZSA-N 424.453 3.340 0 40 HGAB O=C(Nc1ccccc1F)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1 20007797 ZQCSCSFYNVCZAP-HXUWFJFHSA-N 416.449 3.493 0 40 HGAB O=C(COc1ccc(S(=O)(=O)N2CCCC2)cc1)N[C@@H]1CCCc2ccccc21 20019037 SHKRZDPKLXITPX-OAQYLSRUSA-N 414.527 3.044 0 40 HGAB CC[C@@H](C)NS(=O)(=O)c1ccc(OCC(=O)N[C@H](C)c2ccccc2OC)cc1 20019571 JUOSFPXBRDNNHQ-HZPDHXFCSA-N 420.531 3.028 0 40 HGAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NC[C@@H]3CCCO3)c(Cl)c2)cc1 20483929 JBDYEJRMWWKJCD-HNNXBMFYSA-N 408.907 3.358 0 40 HGAB O=C(CCc1ccc(S(=O)(=O)N2CCCCCC2)cc1)NC(C1CC1)C1CC1 22385362 UZQBQPQLYKXFDH-UHFFFAOYSA-N 404.576 3.489 0 40 HGAB CC(=O)N1CCN([C@H](c2ccccc2)c2sc3nc(-c4ccco4)nn3c2O)CC1 22851824 SFFIRQGHWOUINM-QGZVFWFLSA-N 423.498 3.010 0 40 HGAB O=C(N[C@H](CN1CCOCC1)c1ccccc1)c1ccc(NC(=O)c2ccco2)cc1 23873188 SVMUKOQCQSKLKE-OAQYLSRUSA-N 419.481 3.335 0 40 HGAB O=S(=O)(NC[C@H](c1ccccc1Cl)N1CCOCC1)c1ccc(Cl)cc1 24680815 FMRGXUCIDQCNPL-GOSISDBHSA-N 415.342 3.345 0 40 HGAB CCSc1nnc(NC(=O)CSc2nnnn2-c2cccc(Cl)c2)s1 26455719 LGXKHQIOLSXFQG-UHFFFAOYSA-N 413.941 3.010 0 40 HGAB COc1ccc(CN(Cc2nc3ccccc3s2)[C@H]2CCS(=O)(=O)C2)cc1 27650178 ZJKUHLPZBWWBKB-INIZCTEOSA-N 402.541 3.494 0 40 HGAB O=C1CCCN1c1ccc(S(=O)(=O)NCCOc2ccc3ccccc3c2)cc1 28047424 MYCYSHRCAZPHMD-UHFFFAOYSA-N 410.495 3.324 0 40 HGAB Cc1cc(=O)c(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)nn1-c1ccccc1 32777941 HUTNAAWQVGSUJH-DHZHZOJOSA-N 414.509 3.012 0 40 HGAB COc1c(C(N)=O)cn(C)c1-c1nc2cc(NC(=O)c3cccc(F)c3)ccc2n1C 36364985 BERWRRXRIPWKJK-UHFFFAOYSA-N 421.432 3.078 0 40 HGAB COc1cc(NC(=O)[C@@H]2CC(=O)N([C@@H]3CCC[C@@H](C)[C@H]3C)C2)cc(OC)c1OC 37207242 GCEMVBADOQUYPQ-KCYZZUKISA-N 404.507 3.324 0 40 HGAB Cc1c(NC(=O)NCc2ccccc2OC(F)F)c(=O)n(-c2ccccc2)n1C 40094879 HSFWUVKRJSFOIE-UHFFFAOYSA-N 402.401 3.408 0 40 HGAB CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)N(C)CCOc2ccc(F)cc2)cc1 40103873 RZGMVSCINFTYQD-UHFFFAOYSA-N 423.510 3.397 0 40 HGAB O=C(NCCNc1ncc(Cl)cc1Cl)c1nc(N2CCCC2)ncc1Cl 40154656 HZXAQNALUCCAGY-UHFFFAOYSA-N 415.712 3.274 0 40 HGAB CCS(=O)(=O)c1ccccc1C(=O)NCc1ccc(N2CCC(C)CC2)nc1 59117822 WPSDDQQYVRPOAY-UHFFFAOYSA-N 401.532 3.042 0 40 HGAB Cc1c(C(=O)N(C)CC(=O)OC(C)(C)C)cnn1-c1ccc(Br)cc1 60344542 SGOPLWSRLNHWOW-UHFFFAOYSA-N 408.296 3.357 0 40 HGAB Cc1cccc(-c2nc(CN(Cc3cccs3)[C@@H]3CCS(=O)(=O)C3)no2)c1 69842950 VIYPGZAIQDLCAC-MRXNPFEDSA-N 403.529 3.296 0 40 HGAB Cc1oc(-c2ccccc2)nc1CC(=O)NCc1ccc(N2CCCN(C)CC2)nc1 70037562 AXGCDEOPWODAGO-UHFFFAOYSA-N 419.529 3.046 0 40 HGAB COc1ccc(C2(C(=O)N[C@@H](C)Cn3nc4c(cc3=O)CCCC4)CCCC2)cc1 72325057 PJKYAGJMUNBSDI-KRWDZBQOSA-N 409.530 3.147 0 40 HGAB NC(=O)c1cccc(-c2cccc([C@H]3CCCN(CC(=O)Nc4nccs4)C3)n2)c1 72348896 RJAUJZZVVIJGDE-KRWDZBQOSA-N 421.526 3.122 0 40 HGAB COc1ccc(OC)c(CN2CCC[C@@H](c3cc(=O)[nH]c(-c4cccnc4)n3)C2)c1 72393087 CZPOZPKSNFGNBY-QGZVFWFLSA-N 406.486 3.229 0 40 HGAB CC(C)[C@H](C(=O)NCCCCCc1nnc2ccccn12)N1Cc2ccccc2C1=O 95477210 FYGRJFXKGKTSEP-JOCHJYFZSA-N 419.529 3.239 0 40 HGAB COC(=O)C[C@H](c1oc(CSc2ccc(F)cc2)cc(=O)c1O)c1ccnn1C 95479241 PMYDBSKIRNLIDM-HNNXBMFYSA-N 418.446 3.205 0 40 HGAB Cc1ccc(CNC(=O)C2=NO[C@@]3(CCCN(C(=O)c4ccccc4C)C3)C2)cc1 96074449 LAAHBTGSLCPNBW-DEOSSOPVSA-N 405.498 3.371 0 40 HGAB COc1cccc(CN2CCC[C@]3(CCN(S(=O)(=O)c4cccs4)C3)C2)c1 96215601 WKYJZKUXLHSYLW-FQEVSTJZSA-N 406.573 3.434 0 40 HGAB CC(C)Oc1ccc(CCCNC(=O)c2cccc(N(C)S(C)(=O)=O)c2)cc1 222419583 TWSIXFCDPLJXSM-UHFFFAOYSA-N 404.532 3.232 0 40 HGAB COC(=O)c1cccc(NC(=O)c2ccc(C)c(N3CCCCS3(=O)=O)c2)c1C 222568522 KFDUKUDYXLKPTC-UHFFFAOYSA-N 416.499 3.272 0 40 HGAB C[C@@H](NC(=O)CN(c1ccccc1Cl)S(C)(=O)=O)c1ccc2c(c1)CCC2 223166886 YJKWATGQUOEBDK-CQSZACIVSA-N 406.935 3.472 0 40 HGAB COC(=O)c1ccccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)o1 223601698 YJSFTZZQFQEHOX-WOJBJXKFSA-N 423.494 3.093 0 40 HGAB CC[C@H](NS(=O)(=O)c1ccc(OC)c(NC(C)=O)c1)c1ccc(OC)c(C)c1 224040565 QKGXJYYGFWSKQF-KRWDZBQOSA-N 406.504 3.400 0 40 HGAB CN(c1cccc(C(=O)NCc2cccnc2)c1)S(=O)(=O)c1ccc(Cl)cc1 224270487 IYLIWPDPXZPHTA-UHFFFAOYSA-N 415.902 3.490 0 40 HGAB CCOCCCNC(=O)c1cccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)c1 224271449 KLQMVVDAWVYUQD-UHFFFAOYSA-N 410.923 3.322 0 40 HGAB CCCCNC(=O)c1ccc(CN(CC)S(=O)(=O)c2ccc(OC)cc2)cc1 224466031 HIMJHXLLXNLRPP-UHFFFAOYSA-N 404.532 3.436 0 40 HGAB COc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(Cl)c(Cl)c2)cc1F 225114624 YZQFTXBNGVJZJH-UHFFFAOYSA-N 408.234 3.421 0 40 HGAB C[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N[C@@H]1CCCc2ccccc21 225583817 WAXPBRAGIVZXMD-MGPUTAFESA-N 402.516 3.044 0 40 HGAB COC(=O)CSc1nnc(NC(=O)c2ccc(CN3CCCCCC3)cc2)s1 225829664 SFKNTTHIUNYCHX-UHFFFAOYSA-N 420.560 3.432 0 40 HGAB Cc1c(NC(=O)CN2CCC(c3cccc(Nc4ccccn4)n3)CC2)cnn1C 257228336 FTLCVOVDTDWFLY-UHFFFAOYSA-N 405.506 3.080 0 40 HGAB CNC(=O)c1sc2nc([C@@]3(C)CCCN(CC4CCOCC4)C3)ccc2c1N 257234041 GRWAWUBFRCCUOE-NRFANRHFSA-N 402.564 3.018 0 40 HGAB O=C(CN1C[C@@H](c2ccccc2)[C@@]2(CCCC(=O)N2)C1)Nc1ccnn1C1CCCC1 257254083 KBMWKFIIPUULNH-GBXCKJPGSA-N 421.545 3.075 0 40 HGAB CC(=O)N[C@H]1CC[C@](CNC(=O)c2cc(F)ccc2F)(c2ccccc2)CC[C@@H]1O 257295192 QXIQHMKBFYUNKY-FUDKSRODSA-N 416.468 3.072 0 40 HGAB CCc1nn(C)c(C(=O)NC[C@H]2CC[C@H](c3nnc(-c4ccncc4)o3)CC2)c1C 257304731 SMYNEPANJFLBSY-WKILWMFISA-N 408.506 3.440 0 40 HGAB COc1ccc(C)cc1N([C@@H](C)C(=O)N[C@H]1CCCc2ccccc21)S(C)(=O)=O 260588146 GPGAQUXHAGSDLM-LPHOPBHVSA-N 416.543 3.352 0 40 HGAB CC(C)[C@@H](C)NC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)c2cc(Cl)ccc2O1 260899318 KWPUXGMIJJFHLE-AUUYWEPGSA-N 422.934 3.457 0 40 HGAB COC(=O)c1ccc(OC)c(S(=O)(=O)NCCc2ccc(-c3ccoc3)s2)c1 390829576 FFXYHZSEPWWUSM-UHFFFAOYSA-N 421.496 3.324 0 40 HGAB CC(C)NC(=O)[C@H](C)Oc1ccc(S(=O)(=O)N[C@@H](C)CCc2ccccc2)cc1 408595851 VJZMIPJCLVRGKH-ROUUACIJSA-N 418.559 3.278 0 40 HGAB C[C@H](OC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1)C(=O)c1ccccc1 408855081 DEAMIHXVTPCWPU-KSSFIOAISA-N 421.902 3.308 0 40 HGAB CC(C)COc1ccc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc1 409212957 NOCYFZJQKFDWNW-YBFXNURJSA-N 411.433 3.392 0 40 HGAB CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CCCCC3)cc2)cc1 409393832 YPRKEYJMKBORTF-UHFFFAOYSA-N 418.515 3.277 0 40 HGAB O=C(c1cccc(-n2ccnc2)c1)N1CCN(Cc2cn3cc(Cl)ccc3n2)CC1 524233294 QUMBXYNVXRHSHP-UHFFFAOYSA-N 420.904 3.131 0 40 HGAB CCOc1ccc(S(=O)(=O)N2Cc3ccccc3[C@@H](c3cnn(C)c3)C2)cc1F 575620681 VDRMMYUGXDANHO-LJQANCHMSA-N 415.490 3.294 0 40 HGAB COc1ccc(OC)c(C(=O)N2CCC[C@@]3(CCN3Cc3cnc(C)s3)C2)c1 585102102 RPQBOTPIDLSQAN-OAQYLSRUSA-N 401.532 3.349 0 40 HGAB C[C@H](c1ccccc1)N1C[C@@]2(COCCN(c3cc(C(F)(F)F)ncn3)C2)CC1=O 585104722 SEKSVNCZJCEVGZ-FOIQADDNSA-N 420.435 3.312 0 40 HGAB Cc1nc2cccc(C(=O)N3CCN(C(=O)c4cccc5nc(C)[nH]c45)[C@H](C)C3)c2[nH]1 670090741 CFSAMBMOFCBOLD-CYBMUJFWSA-N 416.485 3.043 0 40 HGAB CCn1ncc(C(=O)Nc2cc(NC(=O)CN3CCCC[C@@H]3C)ccc2F)c1C 1542090559 GKRURMWDSGHKTM-AWEZNQCLSA-N 401.486 3.416 0 40 HGAB O=C1N[C@H]2CCCN(C(=O)Cc3cccnc3)[C@H]2CC=CCCOc2ccccc21 2037818657 GLOSYVLSVULAGC-SFTDATJTSA-N 405.498 3.143 0 40 HGAB CCOc1ncccc1C(=O)N1CCc2nc3ncc(-c4cnn(C)c4)cc3cc2C1 2298122260 BPKXVODQJSPONT-UHFFFAOYSA-N 414.469 3.023 0 40 HGAB O=C1C[C@H](N2CCCCCCC2)C(=O)N1c1ccc(I)cc1 691894 HWGLPTMGGIWZIY-HNNXBMFYSA-N 412.271 3.189 0 40 HGAB CCOC(=O)[C@@](NC(=O)NCc1cccc(C(F)(F)F)c1)(OCC)C(F)(F)F 2273725 GBOSQCSVIWCVHN-CQSZACIVSA-N 416.318 3.363 0 40 HGAB CCOC(=O)c1c(-c2cccs2)csc1NC(=O)CSc1n[nH]c(N)n1 2637033 LQEHDIBWNMDPDY-UHFFFAOYSA-N 409.518 3.084 0 40 HGAB Nn1c(SCC(=O)c2ccc3c(c2)OCCO3)nnc1-c1ccc(Cl)cc1 3312834 HOYTZGYHRGCKMZ-UHFFFAOYSA-N 402.863 3.059 0 40 HGAB C[C@@H](NC(=O)c1ccccc1NC(=O)CSc1nnc(N)s1)c1ccccc1 3445349 AHVRQIXMQOBVSD-GFCCVEGCSA-N 413.528 3.342 0 40 HGAB CCc1cccc(CC)c1NC(=O)CN(C)S(=O)(=O)c1ccc(C(C)=O)cc1 3579030 GVIDAFJRRXASIG-UHFFFAOYSA-N 402.516 3.273 0 40 HGAB CCOC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccoc3C)n2C)cc1 4860739 VGSWKBCJFIVENX-UHFFFAOYSA-N 400.460 3.291 0 40 HGAB COc1cc(/C=C2/SC(=O)N(CC(=O)OC(C)(C)C)C2=O)cc(OC)c1OC 5007483 QXERBDYTKXVHLB-NTEUORMPSA-N 409.460 3.090 0 40 HGAB CCOC(=O)C1=C(C)Oc2ncn3nc(-c4cccnc4)nc3c2[C@H]1c1ccco1 5347409 SRQVLBDKKAGSIA-INIZCTEOSA-N 403.398 3.141 0 40 HGAB CN(C)CC(=O)N1C[C@@H]2C[C@H](C1)c1c(-c3ccc4ccccc4c3)ccc(=O)n1C2 5415077 OKTVXZSZAOVVET-LAUBAEHRSA-N 401.510 3.176 0 40 HGAB biogenic,in-vitro Cc1cccc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC(C)C)c1 5637926 DTKQEDJKPCLCOX-UHFFFAOYSA-N 418.515 3.055 0 40 HGAB CC(C)Oc1ccc(C(=O)NC(=S)Nc2sc3c(c2C(N)=O)CCC3)cc1 6263063 PAMJYUKNUKHAME-UHFFFAOYSA-N 403.529 3.250 0 40 HGAB COc1ccccc1C(=O)NCC(=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1 6583788 JJQGCPVRQUMGLL-UHFFFAOYSA-N 419.485 3.049 0 40 HGAB CCN1CCN(C(=S)c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)CC1 6953559 FFSILZDXKKMGCN-UHFFFAOYSA-N 401.507 3.156 0 40 HGAB O=C(NCCCc1ccccc1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 7701536 QOISXNPRHSEOOX-UHFFFAOYSA-N 420.962 3.490 0 40 HGAB Cc1cc(-c2csc(NC(=O)Cn3cnnn3)n2)c(C)n1CCc1ccccc1 7989284 AOXVFZYSVMLYEH-UHFFFAOYSA-N 407.503 3.096 0 40 HGAB COc1ccc(S(=O)(=O)NCCc2csc(-c3cccc(F)c3)n2)cc1OC 8609294 ZULVBXOXMJZNPI-UHFFFAOYSA-N 422.503 3.487 0 40 HGAB C[C@@]1(C2CC2)NC(=O)N(CC(=O)Nc2nc(-c3ccc4c(c3)CCCC4)cs2)C1=O 9416057 NFBTVTVYTZLXGW-QFIPXVFZSA-N 424.526 3.348 0 40 HGAB CCn1cc(C(=O)Nc2ccc(OC)c(OC)c2)c2nn(-c3ccccc3)c(=O)c-2c1 9661463 BYCWIVSHZOTIQP-UHFFFAOYSA-N 418.453 3.428 0 40 HGAB O=C(CS(=O)(=O)c1ccccc1)Nc1ccccc1C(=O)NC1CCCCC1 9698668 IERRIMFUYVIJTE-UHFFFAOYSA-N 400.500 3.162 0 40 HGAB COc1cc(C(=O)N2CCN(c3nsc4ccccc34)CC2)cc(OC)c1OC 12418516 KVYDRHVCRZJMDK-UHFFFAOYSA-N 413.499 3.285 0 40 HGAB O=C(COc1ccc(F)cc1)Nc1sc2c(c1C(=O)N1CCOCC1)CCCC2 12768401 SEQMLVLCELCMGK-UHFFFAOYSA-N 418.490 3.256 0 40 HGAB Cc1onc(-c2ccccc2)c1C(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 12915283 QJYUDZRSPCCZPK-UHFFFAOYSA-N 422.460 3.186 0 40 HGAB COC(=O)c1cccc(S(=O)(=O)N2CCC[C@@H]2c2ccc(OC)c(OC)c2)c1 13001188 RDBPLUZJIKYPLJ-QGZVFWFLSA-N 405.472 3.016 0 40 HGAB O=C(CCN1C(=O)S/C(=C/c2cccs2)C1=O)Nc1ccc(O)c(C(=O)O)c1 13574881 UYNADHMRVGQHNM-NTEUORMPSA-N 418.452 3.217 0 40 HGAB CC[C@@H](C(=O)NCCSCc1ccco1)N(c1ccc(F)cc1)S(C)(=O)=O 13715548 PHWVLQYCJNLNQM-KRWDZBQOSA-N 414.524 3.013 0 40 HGAB COc1cc(-c2nnc(S)n2Cc2ccc3c(c2)OCO3)cc(OC)c1OC 13728617 JIXVUJMPXIYWAZ-UHFFFAOYSA-N 401.444 3.037 0 40 HGAB Cc1ccc(NC(=O)[C@H]2CC(=O)N(C[C@@H]3CCCO3)c3nc4ccccc4n32)cc1 13999276 SKQHUOKHFPMIFW-FXAWDEMLSA-N 404.470 3.440 0 40 HGAB Cc1ccc(C)c(OC[C@H](O)CN2C(=O)N[C@@]3(C[C@@H](C)CC(C)(C)C3)C2=O)c1C 14190400 KUKVDGZBMYAPEG-FPULEUEGSA-N 402.535 3.488 0 40 HGAB CCNC(=O)NC[C@H]1C[C@@H]2CCN1C[C@@H]2c1cc(-c2ccc(N(C)C)cc2)nc(C)n1 15672652 OZIXMGRYMPVNTB-TYPHKJRUSA-N 422.577 3.015 0 40 HGAB biogenic,in-vitro COc1ccccc1CNC(=O)c1ccc(C)c(S(=O)(=O)NCc2ccccc2)c1 16601808 CIYZSIPLLUEVLK-UHFFFAOYSA-N 424.522 3.412 0 40 HGAB O=C(Cc1csc(Nc2ccc(F)cc2)n1)N1CCN(C(=O)c2ccco2)CC1 16850166 KSAHGTNFJVWWCD-UHFFFAOYSA-N 414.462 3.146 0 40 HGAB Cc1cc(N2CCN(C(=O)c3cccc(Cn4cncn4)c3)CC2)nc2ccccc12 19118981 GKIMDFMIWKOICA-UHFFFAOYSA-N 412.497 3.145 0 40 HGAB Cc1cc(C(=O)N2CCC[C@@H](c3nc(N4CCCC4)ncc3-c3cc(C)no3)C2)on1 19122099 FKQIGVQVVRRSME-MRXNPFEDSA-N 422.489 3.356 0 40 HGAB Cc1ccc(C2(C(=O)N3CCC[C@H](C4=Nc5ccccc5S(=O)(=O)N4)C3)CC2)cc1 19136826 AWOUXGVTCPOIOA-KRWDZBQOSA-N 423.538 3.287 0 40 HGAB Cc1cccc2c(-c3ccncc3)c([C@@H]3CCCN(C(=O)CCn4cnnn4)C3)[nH]c12 19236530 NXZYVPIBSXSZQJ-GOSISDBHSA-N 415.501 3.321 0 40 HGAB CC(C)c1ccc([C@@H](C)NC(=O)c2ccc(=O)n(CC(=O)N3CCCCC3)c2)cc1 19750864 FYIHLDKRLGBTOX-GOSISDBHSA-N 409.530 3.475 0 40 HGAB CCOc1cccc(CNC(=O)[C@@H](C)N(c2cc(C)ccc2C)S(C)(=O)=O)c1 20050974 JSQJCGTWHNLTGW-QGZVFWFLSA-N 404.532 3.173 0 40 HGAB CCOc1ccccc1[C@@H]1CCC[C@@]2(O)CCN(CC(=O)NCc3ccco3)C[C@@H]12 20529092 ZXFHIKYBELAUEJ-ZCVJKFOLSA-N 412.530 3.315 0 40 HGAB biogenic,in-vitro COc1ccc(S(=O)(=O)NCCSC2CCCCC2)cc1N1CCCC1=O 22528707 KSPKTMWOXYBGDJ-UHFFFAOYSA-N 412.577 3.166 0 40 HGAB CC(C)(C)NC(=O)c1ccc(NS(=O)(=O)c2ccc(CCC(=O)O)cc2)cc1 22960079 DSRCQZMRWSPVAY-UHFFFAOYSA-N 404.488 3.033 0 40 HGAB COc1ccc(CCNC(=O)Cn2c(-c3ccncc3)nc3ccccc32)cc1OC 23144213 NAXKTZUEBONULJ-UHFFFAOYSA-N 416.481 3.474 0 40 HGAB CN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 24666204 YLFDXFQUPPBMSY-HNNXBMFYSA-N 412.964 3.461 0 40 HGAB O=C(NCCSC1CCCC1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 25246588 ZOPNUYKZNWHPJZ-UHFFFAOYSA-N 414.568 3.018 0 40 HGAB CC(=O)c1cccc(Nc2nc(NN3CCOCC3)nnc2-c2cccc(F)c2)c1 27643489 VQZJNDOLYTZFPK-UHFFFAOYSA-N 408.437 3.283 0 40 HGAB CN(Cc1ccc(C(=O)NCC(F)(F)F)cc1)Cn1nc(C2CC2)n(C)c1=S 29889047 WTCLABJLCRAUEB-UHFFFAOYSA-N 413.469 3.210 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N(C)Cc3ccc(C)cc3)C2)cc1 30853870 FYDWNGVHKKRJHR-IBGZPJMESA-N 416.543 3.063 0 40 HGAB CCN(CC)Cc1ccc(C(=O)N2CCN(C(=O)c3ccc(OC)cc3)CC2)cc1 30896134 BSPNDCRFHOZFGH-UHFFFAOYSA-N 409.530 3.135 0 40 HGAB COc1cc2c(cc1OC)C(=O)[C@@H](Sc1nnnn1-c1ccc(Cl)cc1)C2 32095457 TUOFNAVCCOZAIT-INIZCTEOSA-N 402.863 3.233 0 40 HGAB COc1ccccc1OCC(=O)N1N=C(c2ccc(C)cc2)C[C@@]1(O)C(F)(F)F 32101121 YWAKQQCEFIKQLJ-LJQANCHMSA-N 408.376 3.270 0 40 HGAB COCCOc1ccc(S(=O)(=O)NCCCc2nc3ccccc3s2)cc1 32804290 LREBDVAHVFFXCY-UHFFFAOYSA-N 406.529 3.233 0 40 HGAB CCOc1ccccc1COC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccccc1 32910602 PTLDWNKIZJVAIC-LJQANCHMSA-N 403.500 3.372 0 40 HGAB CCOc1ccccc1CNC(=O)CCn1cnc2c([nH]c3ccc(C)cc32)c1=O 35424197 DOWAIGTWWHBXOJ-UHFFFAOYSA-N 404.470 3.291 0 40 HGAB CC(=O)N1CCOc2cc(S(=O)(=O)N3CCC[C@@H]3c3ccc(C)cc3)ccc21 36619700 OZCJSXSGVMZDCP-LJQANCHMSA-N 400.500 3.266 0 40 HGAB CC(=O)N1CCCc2cc([C@@H](O)CN3CCN(c4ccccc4Cl)CC3)ccc21 36741200 BTPNGLGWRLBTIF-QHCPKHFHSA-N 413.949 3.495 0 40 HGAB CCN(CC(=O)Nc1ccc(OC)c(Cl)c1)S(=O)(=O)c1ccc(F)cc1 39985768 XIADCZUKUPDZBQ-UHFFFAOYSA-N 400.859 3.137 0 40 HGAB Cc1ccc(-n2nnc(CC(=O)N3CCN(c4cccc(Cl)c4)CC3)c2C)cc1 40158103 XXCNYPQDURNALV-UHFFFAOYSA-N 409.921 3.429 0 40 HGAB CC(C)(C)NC(=O)N1CCC(CNC(=O)C2(c3ccccc3)CCOCC2)CC1 43978812 JLKKHYSNQFFJGG-UHFFFAOYSA-N 401.551 3.071 0 40 HGAB CCN(CC)CCN(Cc1cccs1)C(=O)Nc1ccc(C)c(-n2cnnn2)c1 44246535 GZXSCOADIZTRHX-UHFFFAOYSA-N 413.551 3.408 0 40 HGAB CCn1c(CN(C)Cc2ccc(F)cc2)nc2cc(S(=O)(=O)N(C)C)ccc21 58158059 YFNPGQFBYSDZQV-UHFFFAOYSA-N 404.511 3.078 0 40 HGAB O=C(NCCN1CCCCC1)NC[C@H]1CCN(c2cccc(Br)c2)C1 58412567 QWPSUPOANKZLBC-MRXNPFEDSA-N 409.372 3.061 0 40 HGAB CCOc1cccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)c1 65060648 PGEWTNITDKENHE-IBGZPJMESA-N 416.543 3.111 0 40 HGAB Cc1cc2nc(SCC(=O)NCc3ccc(C)o3)n(-c3ccccc3)c(=O)c2[nH]1 67239467 YZZMEBRFADFKKY-UHFFFAOYSA-N 408.483 3.332 0 40 HGAB COc1ccc(S(=O)(=O)c2cnc(N3CC=C(c4ccccc4)CC3)nc2N)cc1 71772038 VKYGTZSPYWNBLQ-UHFFFAOYSA-N 422.510 3.194 0 40 HGAB COc1cccc(CC(=O)N2CCC[C@H](c3ccnc4nc(C(F)(F)F)nn34)C2)c1 72334992 FCIPABSDELVYJH-AWEZNQCLSA-N 419.407 3.100 0 40 HGAB CCc1nc(=O)c2ccccc2n1C1=CCN(C(=O)CCc2c(C)n[nH]c2C)CC1 72348261 WXDGQBWGTVAONX-UHFFFAOYSA-N 405.502 3.005 0 40 HGAB Cc1cc(-c2snnc2[C@@H]2CCCN(C(=O)COc3cccc(F)c3)C2)on1 72396734 XDIGBGGOHGTJGN-CYBMUJFWSA-N 402.451 3.426 0 40 HGAB COc1c2c(cc3c1OCO3)CCN(C)C(c1cc(=O)oc3cc4c(cc13)OCO4)=C2 79188731 YRCRCYLBTBHYPK-UHFFFAOYSA-N 421.405 3.245 0 40 HGAB biogenic CC(C)COc1cn(-c2ccccc2)nc1C(=O)Nc1cccc(-c2nnn[nH]2)c1 89856414 QXMWJGVXTJGJOG-UHFFFAOYSA-N 403.446 3.340 0 40 HGAB CCN(CCC1CCN(C(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O)CC1)CC(C)C 95459631 NBUQIWBALLSPHG-SFTDATJTSA-N 419.610 3.158 0 40 HGAB COc1ccc2nc(NC(=O)C[C@@H]3N=C(O)N(CCc4ccccc4)C3=O)sc2c1 95480275 CGEFEQCUSLDMLK-INIZCTEOSA-N 424.482 3.001 0 40 HGAB O=C(C[C@H]1CC2(CCN(C(=O)C3CCOCC3)CC2)c2ccccc21)NCC1CC1 96079468 BMZGNNAPWOAVDM-FQEVSTJZSA-N 410.558 3.377 0 40 HGAB CC1(C)[C@@H]2CC[C@]1(CS(=O)(=O)N1CCN(c3cccc(Cl)c3)CC1)C(=O)C2 101288773 VFVJBXOIGABCAW-QRWLVFNGSA-N 410.967 3.187 0 40 HGAB COc1cccc(NC(=O)c2cnn3c2NC(C(=O)O)=C[C@@H]3c2ccc(C)cc2)c1 102810636 UUAPDGJQGRSTAA-LJQANCHMSA-N 404.426 3.436 0 40 HGAB CCn1c(CN[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)nc2cc(S(=O)(=O)N(C)C)ccc21 104811536 AARBYCJMFDHJKU-CVYDXHPNSA-N 404.580 3.221 0 40 HGAB NC(=O)[C@H](Cc1ccccc1)NC(=O)c1nn(Cc2ccc(F)cc2)c2ccccc12 201420878 TZXBEYFALIFOAG-FQEVSTJZSA-N 416.456 3.050 0 40 HGAB in-vitro Cc1cc(S(=O)(=O)Nc2ccc(N3CCCC3=O)cc2)ccc1N1CCCC1=O 216288368 GCPVSZUASPIRGO-UHFFFAOYSA-N 413.499 3.049 0 40 HGAB Cc1ccc(OCCNC(=O)CCCN(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1 222573247 WJHGQLIJVBVMGY-UHFFFAOYSA-N 418.559 3.353 0 40 HGAB CC[C@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)COc1ccc(Cl)cc1 223372087 HXVWJIUVUDAAEA-LJQANCHMSA-N 404.894 3.281 0 40 HGAB O=C(Nc1nnc(C2CC2)s1)[C@@H]1CCC(=O)N1Cc1ccc(OC(F)F)cc1 223414392 AHWIPCVUFZDBCK-ZDUSSCGKSA-N 408.430 3.147 0 40 HGAB CC[C@H](C)NC(=O)c1ccccc1NS(=O)(=O)c1ccc(Cl)c(C(=O)OC)c1 223829514 CFMAUHAFZANPLT-LBPRGKRZSA-N 424.906 3.456 0 40 HGAB CCOc1ccccc1CN(C)S(=O)(=O)c1ccc(N2CCCC2=O)c(C)c1 223886129 WUOAWQYXBVMAIE-UHFFFAOYSA-N 402.516 3.341 0 40 HGAB CSc1ccc(S(=O)(=O)NCCCN2CCCCC2)cc1NC(=O)C(C)C 224443033 AHSFYQLYVFGJKX-UHFFFAOYSA-N 413.609 3.157 0 40 HGAB CCN(Cc1ccc(C(=O)NCc2ccncc2)cc1)S(=O)(=O)c1ccccc1 224446899 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HGAB Cc1c(C(=O)N2CCn3cc(CC(=O)N4CC=CC4)nc3[C@@H]2C)oc2ccccc12 585097073 FJZIYPWANXCYTN-INIZCTEOSA-N 404.470 3.096 0 40 HGAB C[C@H]1C[C@H](c2ccccc2)C[C@H](NS(=O)(=O)c2ccc3nc(O)nc(O)c3c2)C1 1561648624 PIYDSALBVHQZOR-CWRNSKLLSA-N 413.499 3.292 0 40 HGAB COc1cnccc1C(=O)N1CCC2(CC1)C[C@H](C(=O)N1CCCC1)c1ccccc12 1614940816 XQDDOWBLZDVKFT-FQEVSTJZSA-N 419.525 3.374 0 40 HGAB Cc1cccc(C(=O)NCc2nnc(SCC(=O)N[C@H](C)c3ccccc3)n2C)c1 1008534 GJZJQBJQHYDLNL-MRXNPFEDSA-N 423.542 3.023 0 40 HGAB COc1ccc(-c2cc(C(F)(F)F)nc(S[C@H]3CC(=O)[C@@H]4OC[C@H]3O4)n2)cc1 1070424 FVQZTNDUBJENLU-IJEWVQPXSA-N 412.389 3.346 0 40 HGAB CC(C)(C)C(=O)N[C@H](O[C@@H](NC(=O)C(C)(C)C)C(=O)C(C)(C)C)C(=O)C(C)(C)C 1612889 OTLOPNSFZJSSPI-HZPDHXFCSA-N 412.571 3.210 0 40 HGAB CCCCn1cnnc1NS(=O)(=O)c1cc(C)c(Cl)cc1SCC(=O)O 1637835 RWAGUBKMSDEUSL-UHFFFAOYSA-N 418.928 3.018 0 40 HGAB COc1cccc(NC(=O)COC(=O)c2ccccc2I)c1 3391458 GUAZZLKTQSTIFS-UHFFFAOYSA-N 411.195 3.095 0 40 HGAB Cc1noc(C)c1COC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)cc1 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CCOc1cccc([C@@H]2c3c(-c4c(C)cc(C)cc4O)n[nH]c3C(=O)N2CCO)c1 6743308 MDWUAAAUJFSQGS-JOCHJYFZSA-N 407.470 3.335 0 40 HGAB O=C(O)CCC(=O)Nc1ccccc1OS(=O)(=O)C1=Cc2ccccc2CC1 7783358 VSRGIYLRQGUEQH-UHFFFAOYSA-N 401.440 3.186 0 40 HGAB O=C(CN(Cc1cccs1)C[C@H]1CCCO1)Nc1ccc(N2CCCC2=O)cc1 7806638 IPNVWIKUQKSQNZ-LJQANCHMSA-N 413.543 3.495 0 40 HGAB Cc1cc(C)c(C)c(S(=O)(=O)N[C@@H](C(=O)NCCc2ccco2)C(C)C)c1C 7985469 SNNLDHVQLKPPAU-LJQANCHMSA-N 406.548 3.175 0 40 HGAB CC(=O)[C@@H](Cc1ccccc1)NC(=O)CSc1nnc(-c2ccccc2C)n1C 8735428 OZMREVQJFKNYCS-LJQANCHMSA-N 408.527 3.199 0 40 HGAB COc1cccc(N2C[C@@H](CNS(=O)(=O)c3ccc4ccccc4c3)OC2=O)c1 8838789 SDZFAWSHLDNQDU-LJQANCHMSA-N 412.467 3.152 0 40 HGAB O=C(Cc1csc(SCC(=O)Nc2ccc(F)cc2)n1)NCc1ccccn1 8851911 ZSKJXHHZJOISCY-UHFFFAOYSA-N 416.503 3.267 0 40 HGAB CCCn1nc(NS(=O)(=O)c2cccc3nonc23)c2cc3ccccc3nc21 9361227 KMEBFIMYLDPBGP-UHFFFAOYSA-N 408.443 3.332 0 40 HGAB CCCCN1C(=O)c2ccc(C(=O)O[C@H](C)C(=O)NC3CCCCC3)cc2C1=O 9453008 CEHIXKSVMLHUHH-CQSZACIVSA-N 400.475 3.077 0 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Cc1ccc(OC[C@@H](C)NC(=O)CN(c2ccc(C)c(Cl)c2)S(C)(=O)=O)cc1 22337702 XZKBRFBWAVVFTR-MRXNPFEDSA-N 424.950 3.307 0 40 HGAB O=C(CSc1nc(CN2CCOCC2)nc2ccccc12)NCC1CCCCC1 22358483 GJSWSSAPDLEDBZ-UHFFFAOYSA-N 414.575 3.251 0 40 HGAB CN(CC(=O)NCc1ccc(-c2ccc(F)cc2)o1)S(=O)(=O)c1cccs1 22993031 KVWMLJOPIMYRSP-UHFFFAOYSA-N 408.476 3.084 0 40 HGAB O=C(CN1CCOCC1)Nc1ccc(NC(=O)c2ccc(Br)s2)cc1 23010936 HULHYKREIPXGMX-UHFFFAOYSA-N 424.320 3.034 0 40 HGAB CCOc1ccc(C(=O)NC[C@H](c2cccs2)N2CCOCC2)cc1OCC 23744804 YDEZFJAIXISHQY-QGZVFWFLSA-N 404.532 3.349 0 40 HGAB Cc1ccc([C@H](OC[C@@H](O)CN2C(=O)NC3(CCCC3)C2=O)c2ccccc2)cc1 24094619 BZJSAYGFSAHGQG-LEWJYISDSA-N 408.498 3.327 0 40 HGAB CCN(CC(=O)Nc1cc(Cl)ccc1C)[C@H]1CC(=O)N(Cc2ccccc2)C1=O 24843701 LAYRGEGJIIOJLB-IBGZPJMESA-N 413.905 3.237 0 40 HGAB Cc1ccc(OCC(=O)NC[C@@H](c2ccc(Cl)cc2)N2CCN(C)CC2)cc1C 27664368 DJOOMYMYJSDQNE-QFIPXVFZSA-N 415.965 3.441 0 40 HGAB CC[C@@H](NC(=O)Cn1c(S(C)(=O)=O)nc2ccccc21)c1ccc(Cl)cc1 27709195 AJLVYEYWQQZSEF-OAHLLOKOSA-N 405.907 3.361 0 40 HGAB CN1CCN(C(=O)C2CCN(C(=O)/C=C/c3ccccc3)CC2)[C@@H](c2ccccc2)C1 30029628 OTEFZKBMPVMJMC-JHUUHBRDSA-N 417.553 3.454 0 40 HGAB CCN1CCc2nc3ccccc3c(C(=O)NC[C@H]3COc4ccccc4O3)c2C1 32995900 SCWNAISXONHZHO-INIZCTEOSA-N 403.482 3.183 0 40 HGAB Cn1c2ccc(Br)cc2c2nnc(SCC(=O)N3CCCCC3)nc21 35312670 YGGUPIIVAQRTIM-UHFFFAOYSA-N 420.336 3.384 0 40 HGAB CSCC[C@@H](NC(=O)c1ccco1)C(=O)Nc1cccc(OC[C@@H]2CCCO2)c1 40062939 WZXPTQYEDAYFAM-ZWKOTPCHSA-N 418.515 3.328 0 40 HGAB CC(C)NC(=O)c1ccc(Cl)c(NC(=O)CCN2C(=O)c3ccccc3C2=O)c1 40150637 UKIKJUGFYBMGPK-UHFFFAOYSA-N 413.861 3.103 0 40 HGAB COc1ccc([C@H]2C(C(=O)OC(C)(C)C)=C(C)Nc3nnnn32)cc1Br 45896095 KLVOGSUHRYKELB-AWEZNQCLSA-N 422.283 3.075 0 40 HGAB O=c1c(S(=O)(=O)N2CCCCCC2)cccn1Cc1cccc(C(F)(F)F)c1 49408827 KJMUXIQBROMIFM-UHFFFAOYSA-N 414.449 3.480 0 40 HGAB O=S(=O)(NCCN1CCN(c2ccccc2)CC1)c1cc(Cl)ccc1Cl 56327907 POHUCDHQPYNNJB-UHFFFAOYSA-N 414.358 3.094 0 40 HGAB C[C@H](NCc1ccccc1CN1CCCC1)C(=O)Nc1ccc(N2CCOCC2)cc1 57293315 SICGCOWSGAAYFV-FQEVSTJZSA-N 422.573 3.236 0 40 HGAB CC(C)CC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccco3)cc2)CC1 57316439 WOKVGUUOOAGANB-UHFFFAOYSA-N 414.531 3.101 0 40 HGAB O=C(CN1CCN(c2cc(F)cc(F)c2)CC1)N[C@H]1CCC[C@@H](C(F)(F)F)C1 65492699 VOYQLUMNQPIZCP-CJNGLKHVSA-N 405.411 3.324 0 40 HGAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c2c1[C@@H](c1cccc(OCC(C)C)c1)CC(=O)N2 71279131 PMGPYRZRAQTVJR-SJLPKXTDSA-N 417.531 3.060 0 40 HGAB CCOC(=O)N1CCC(NC(=O)c2cn[nH]c2-c2cccc(Br)c2)CC1 72329083 CSLCDPRAFJGGDD-UHFFFAOYSA-N 421.295 3.190 0 40 HGAB COc1ccc([C@H]2[C@@H](C(=O)NCCc3ccncc3)c3ccccc3C(=O)N2C)cc1 79491411 SQHJPCUOZRXHPP-GOTSBHOMSA-N 415.493 3.360 0 40 HGAB CCC(CC)[C@@H](CCNC(=O)c1ccc(S(=O)(=O)Nc2ccncc2)cc1)OC 84727345 KMOYUNQPZJPPAJ-HXUWFJFHSA-N 419.547 3.454 0 40 HGAB Cc1nc(CN2CCN(C(=O)Nc3cccc(OC[C@@H]4CCCO4)c3)CC2)oc1C 89558352 HAJLNHKJDXDIKV-FQEVSTJZSA-N 414.506 3.199 0 40 HGAB COc1cc(OC)cc(C2=NN(C(=O)CCC(=O)O)[C@H](c3ccc(F)cc3)C2)c1 95532112 GNTJEZNYIATNEW-IBGZPJMESA-N 400.406 3.385 0 40 HGAB C[C@@H](Nc1nc(N(C)C)cc(C(F)(F)F)n1)c1ccc(OCC(=O)NC2CC2)cc1 97476670 OVYYGMKRXRPPFN-GFCCVEGCSA-N 423.439 3.392 0 40 HGAB CC(C)c1c(C(=O)NC[C@H]2CN3CCCC[C@H]3CO2)cnn1-c1ccc(F)cc1 107542463 YBQCSPGFAGDIBC-OALUTQOASA-N 400.498 3.118 0 40 HGAB COc1cccc(NC(=O)[C@H](C)N(c2cc(Cl)ccc2OC)S(C)(=O)=O)c1 113940397 KDQKFRHSMYDVFJ-LBPRGKRZSA-N 412.895 3.150 0 40 HGAB O=C(O)COc1cc(F)ccc1C(=O)NCc1ccc(Br)cc1F 142124154 JMXDFFYEGLOZLN-UHFFFAOYSA-N 400.175 3.121 0 40 HGAB CCOc1ccc(CCCNS(=O)(=O)c2ccc(N3CCCC3=O)c(C)c2)cc1 219223832 VOUKXWZAECQJBT-UHFFFAOYSA-N 416.543 3.432 0 40 HGAB COC(=O)c1cc(NC(=O)CCCN(C)S(=O)(=O)c2ccccc2)ccc1Cl 219717594 YQPZAZNDEURCQN-UHFFFAOYSA-N 424.906 3.166 0 40 HGAB COc1ccc(OC)c(N([C@H](C)C(=O)Nc2cccc(Cl)c2)S(C)(=O)=O)c1 220206907 BGHINOUXCQKJMV-GFCCVEGCSA-N 412.895 3.150 0 40 HGAB Cc1ccc(OC[C@@H](C)NC(=O)c2ccc(N3CCCCS3(=O)=O)cc2)cc1 222590539 LMBDXSCDKLWAHU-QGZVFWFLSA-N 402.516 3.122 0 40 HGAB COCCNc1ccc(C(=O)OC(C)C)cc1S(=O)(=O)Nc1ccc(OC)cc1 223426884 AUJLCZRWGFPJGI-UHFFFAOYSA-N 422.503 3.120 0 40 HGAB COc1cccc(N(CC(=O)Nc2ccc3c4c(cccc24)CC3)S(C)(=O)=O)c1 223646041 KQUSFNJBUOOWAI-UHFFFAOYSA-N 410.495 3.352 0 40 HGAB CCc1ccc(CC)c(CNS(=O)(=O)c2ccc(OC)c(N3CCCC3=O)c2)c1 224712983 OOTKHLNCVCRLDB-UHFFFAOYSA-N 416.543 3.425 0 40 HGAB O=C(O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc2c(c1)OCCO2 224829263 JHLAJVPMMYMLOZ-UHFFFAOYSA-N 418.254 3.045 0 40 HGAB Cc1ccc(C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)c(I)c1 225021445 IBGMSZXHCAGUJF-UHFFFAOYSA-N 421.238 3.042 0 40 HGAB C[C@H](NC(=S)Nc1nc(N2CCOCC2)cc(C(F)(F)F)n1)c1ccccc1 225963436 GGDDMTPPCORYKO-LBPRGKRZSA-N 411.453 3.380 0 40 HGAB COc1ccc(C(=O)N(C)[C@@H]2CC[C@@](CNC(C)=O)(c3ccccc3)CC[C@H]2O)cc1 257208743 BNLRKWPZYOBOJR-VDKIKQQVSA-N 424.541 3.145 0 40 HGAB C[C@@H]1CCCCN1c1cc(N2CCCCC2)nc(NC(=S)NC[C@H]2CCCO2)n1 260723015 WGWCSNZHPUSFJD-IAGOWNOFSA-N 418.611 3.311 0 40 HGAB Cc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H](C)CC(C)(C)c2ccccc2)cc1 260761188 FUOGFTUXOCTNKX-GOSISDBHSA-N 402.560 3.488 0 40 HGAB Cc1cccc(CN2C[C@@H](c3cn(C(C)C)cn3)[C@@]3(CCN(CC4CC4)C3=O)C2)n1 306136945 QHECZGXJEKIDMM-XUZZJYLKSA-N 407.562 3.396 0 40 HGAB Cc1ccccc1CC(=O)N1Cc2ccccc2-c2nc(N3CCOCC3)ncc2C1 306138136 RQDNCOCHZCYUDU-UHFFFAOYSA-N 414.509 3.374 0 40 HGAB COCCn1cnc2c1C1(CCN(Cc3cccnc3OC)CC1)Oc1ccccc1-2 306141944 WKZZBQMKKLZXON-UHFFFAOYSA-N 420.513 3.484 0 40 HGAB CC1=CC[C@@H]2C(=O)N(c3ccc(C(=O)Nc4ccc(C(=O)O)cc4)cc3)C(=O)[C@H]2C1 408681324 IXWQIAASHPOAAH-OALUTQOASA-N 404.422 3.483 0 40 HGAB Cc1cccc(NC(=O)CSc2nnc([C@@H](C)NC(=O)c3ccccc3)n2C)c1 409124268 AWHRLNHRTHDTGH-OAHLLOKOSA-N 409.515 3.345 0 40 HGAB Cc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)cc1C 409130565 IAPQPLAJZGSYHQ-HNNXBMFYSA-N 400.862 3.492 0 40 HGAB CCCCNC(=O)CN1C(=O)S/C(=C\c2ccc(OCC)c(OCC)c2)C1=O 409199162 BQRABOLTLQCVON-ATVHPVEESA-N 406.504 3.437 0 40 HGAB O=C(NC[C@H](CO)Cc1ccccc1)c1cnn(-c2ccccc2)c1C(F)(F)F 522925738 GDCVYUATIVCOSH-MRXNPFEDSA-N 403.404 3.472 0 40 HGAB Cc1oc(S(N)(=O)=O)cc1C(=O)N1CCc2c(Cl)cc(Cl)cc2[C@H]1C 539530037 MVPNFJJSXNILOP-MRVPVSSYSA-N 403.287 3.302 0 40 HGAB COc1ccc([C@@H](CNC(=O)CN2CCOCC23CC3)c2c[nH]c3ccccc23)cc1 549074596 LHPUHUXRGZLUTD-OAQYLSRUSA-N 419.525 3.289 0 40 HGAB CC(=O)N1CCCCCCCN(CC(=O)NC2CCN(C)CC2)Cc2ccccc21 643575145 CQBRWTIKIBQLTD-UHFFFAOYSA-N 414.594 3.016 0 40 HGAB CCOC(=O)c1sc2ncnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2c1C 813373912 LZYGWPZNBDMCRZ-UHFFFAOYSA-N 406.508 3.234 0 40 HGAB CC1=C(C(=O)Nc2cccnc2)[C@H](c2cccc(Br)c2)n2ncnc2N1 949738 CQVBAXOYNYCWKT-INIZCTEOSA-N 411.263 3.363 0 40 HGAB O=C(CN1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)Nc1cccc(O)c1 990742 XVCSLZJXRHEENL-SNDHGLFQSA-N 424.456 3.223 0 40 HGAB C[C@H](Oc1ccc(I)cc1)C(=O)NCc1nc2ccccc2[nH]1 1429952 ITAGSLUISMPDPI-NSHDSACASA-N 421.238 3.251 0 40 HGAB Cc1c(C(=O)OCC(C)C)sc2ncn(CC(=O)OCc3ccccc3)c(=O)c12 1784764 RMPFOECRERAGKO-UHFFFAOYSA-N 414.483 3.323 0 40 HGAB COc1ccc(OC)c(NC(=O)C2=C(C)Nc3ncnn3[C@@H]2c2cccc(F)c2)c1 2230720 IEPVJWRBKMIWSL-LJQANCHMSA-N 409.421 3.362 0 40 HGAB Nc1c(C(=O)NC[C@@H]2CCCO2)c2nc3ccccc3nc2n1Cc1ccccc1 2290279 LWVRPXJJUXRPCN-INIZCTEOSA-N 401.470 3.124 0 40 HGAB O=C(COC(=O)c1ccccc1I)Nc1cc(F)ccc1F 3391208 OWMCOCXKRBDEQN-UHFFFAOYSA-N 417.149 3.365 0 40 HGAB O=C(COC(=O)C[C@H]1Sc2ccccc2NC1=O)N[C@@H]1CCCc2ccccc21 3504605 UBONZWRHXYWMSI-VQIMIIECSA-N 410.495 3.227 0 40 HGAB COc1ccccc1N1C(=O)N(c2ccc(C)c(Cl)c2)[C@@H]2CS(=O)(=O)C[C@H]21 4387449 RTQBKCNQXHHLSI-IAGOWNOFSA-N 406.891 3.269 0 40 HGAB CCOC(=O)c1sc2ncn(Cc3cc4c(cc3Cl)OCO4)c(=O)c2c1C 4502826 CLIFEMZVBRABLQ-UHFFFAOYSA-N 406.847 3.374 0 40 HGAB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCCCOC(C)C)cc2)cc1 4834979 CYFPHZNDKOVCPK-UHFFFAOYSA-N 404.532 3.365 0 40 HGAB C[C@@H]1CCc2cc(F)ccc2N1S(=O)(=O)c1cc2c3c(c1)CCN3C(=O)CC2 5153529 GBEVIHWKHXOWPN-CYBMUJFWSA-N 400.475 3.191 0 40 HGAB O=C(Nc1ccc2sccc2c1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 5894438 XUAAVOJBQMKCPV-UHFFFAOYSA-N 402.497 3.175 0 40 HGAB COc1ccc(Br)cc1[C@H]1NC(=S)NC(C)=C1C(=O)OCC(C)C 6395311 IFJKAAIALBWSAQ-OAHLLOKOSA-N 413.337 3.450 0 40 HGAB CCCN(CC(=O)Nc1ccc(F)c(F)c1F)Cc1nc(=O)c2sccc2[nH]1 6907371 NMYWEHKUPFJNDK-UHFFFAOYSA-N 410.421 3.253 0 40 HGAB C[C@H](OC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)C(=O)c1ccccc1 6929358 CPZDCLITQKVFNU-HNNXBMFYSA-N 413.451 3.186 0 40 HGAB Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CCCC3)c(C)c2)cc1C 7362138 PORBACJBRDNVCV-UHFFFAOYSA-N 402.516 3.414 0 40 HGAB COC(=O)c1ccc(NC(=O)CSc2nnc(COc3ccc(C)cc3)o2)cc1 7871065 NLEMLQGOKROZNV-UHFFFAOYSA-N 413.455 3.474 0 40 HGAB O=C(NCc1cccc(Cl)c1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 8077060 ALYZJPLJMYYGJC-OAHLLOKOSA-N 410.898 3.196 0 40 HGAB O=C(COc1ccc(NC(=O)c2ccccc2)cc1)NCc1ccc2c(c1)OCO2 8121017 JUZUIXHKERPEDH-UHFFFAOYSA-N 404.422 3.363 0 40 HGAB O=C(Nc1ccc2c(c1)CCC2)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 8241347 QDIMEEGOOKLXEZ-QGZVFWFLSA-N 402.491 3.354 0 40 HGAB O=C(Nc1nccs1)[C@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(CC2CCCCC2)nn1 8298407 SNHSIGAJKVHDOP-UHOSZYNNSA-N 414.579 3.207 0 40 HGAB biogenic,in-vitro CC[C@H](Oc1ccccc1OC)C(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 8478344 WWCIRWUJMJQKKJ-LPHOPBHVSA-N 412.486 3.400 0 40 HGAB COc1ccc(-n2c(C)nn(-c3ncc(C(F)(F)F)cc3Cl)c2=O)c(OC)c1 8781583 KRCVRDIVENBXJJ-UHFFFAOYSA-N 414.771 3.416 0 40 HGAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN1CCC(C(=O)Nc2ccccc2)CC1 8937950 WLZNWZCIOKHQAD-KRWDZBQOSA-N 420.513 3.101 0 40 HGAB COc1ccccc1N1C(=O)N=C(O)/C(=C2\C[C@H](c3ccc(Cl)cc3)NN2)C1=O 9043441 CJESAWNHQZTVJS-CLBVAXQTSA-N 412.833 3.265 0 40 HGAB COc1ccc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2ccc(F)cc2)c(OC)c1 9360600 NNJLIOHFOIZLAM-GOSISDBHSA-N 401.463 3.274 0 40 HGAB Cn1c(SCC(=O)Nc2ccc3c(c2)OCCO3)nnc1-c1c[nH]c2ccccc12 9382276 IROKXBOHQDTQMU-UHFFFAOYSA-N 421.482 3.465 0 40 HGAB COc1ccc(S(=O)(=O)N(C)CCCC(=O)Nc2ccc3c(c2)CCC3)cc1 10372393 MJAOVYJNTVXEAY-UHFFFAOYSA-N 402.516 3.223 0 40 HGAB Cc1ccc(C(=O)NCc2ccc(N3CCOCC3)nc2)cc1NC(=O)c1ccco1 11115745 QKTIPFKWENVOMO-UHFFFAOYSA-N 420.469 3.002 0 40 HGAB O=C(OCC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)c1c[nH]c2ccccc12 11584417 ZUPYJXODKZNRLG-UHFFFAOYSA-N 405.454 3.202 0 40 HGAB COc1cc(CNCc2cc3c(C)nn(-c4ccc(F)cc4)c3[nH]c2=O)cc(OC)c1 12290160 QYCLMNGAKRHANE-UHFFFAOYSA-N 422.460 3.468 0 40 HGAB O=C(CSc1nnc(NC[C@@H]2CCCO2)s1)Nc1ccccc1N1CCCC1 12514624 YUQKPVHVZSRMQK-AWEZNQCLSA-N 419.576 3.460 0 40 HGAB Cc1nn(C)c(C)c1NS(=O)(=O)c1cc(Br)ccc1Br 12526439 XBOYQZZSUPORLA-UHFFFAOYSA-N 423.130 3.363 0 40 HGAB C[C@H]1Cc2cc(C(=O)N3CCC[C@@H]3c3nc4ccccc4[nH]3)ccc2N1S(C)(=O)=O 12601489 QOSDZMXCZFBCHL-VBKZILBWSA-N 424.526 3.251 0 40 HGAB Cc1cc(-n2c(C)cc(C(=O)CN3C(=O)N[C@H](CCc4ccccc4)C3=O)c2C)no1 12783874 ICTPLFONWMPMBO-LJQANCHMSA-N 420.469 3.126 0 40 HGAB Cc1noc(CSc2ccccc2C(=O)O[C@H](C)C(=O)Nc2cc(C)on2)n1 12889185 MRAHMEMLMSQNRO-LLVKDONJSA-N 402.432 3.151 0 40 HGAB Cc1nc(COc2ccccc2/C=C/C(=O)NCc2nnc3ccccn23)cs1 12900602 YHPUWNLPNPBNAE-MDZDMXLPSA-N 405.483 3.403 0 40 HGAB COc1cc(N2C[C@@H](C(=O)Nc3cc(F)ccc3C)CC2=O)cc(OC)c1OC 12980621 JAFFAZDSVKUCMQ-ZDUSSCGKSA-N 402.422 3.152 0 40 HGAB O=C(Cc1ccccc1)NCCC(=O)Nc1ccc(N2CCc3sccc3C2)nc1 12986148 XIEPECVEJXBUGP-UHFFFAOYSA-N 420.538 3.393 0 40 HGAB O=C(NCCCN1CCCCC1)c1cc(-c2ccccn2)c(N2CCOCC2)s1 13267977 NLONGWJYIDTYKI-UHFFFAOYSA-N 414.575 3.253 0 40 HGAB COc1ccc(Cl)cc1N([C@H](C)C(=O)NCCCc1ccccc1)S(C)(=O)=O 13632503 GIDAVDGOQUVTMM-OAHLLOKOSA-N 424.950 3.252 0 40 HGAB O=C(NC1CCCC1)[C@H](c1cccnc1)N(C(=O)c1csnn1)c1ccccc1 15936120 UAKIZNFYLYTSQN-IBGZPJMESA-N 407.499 3.380 0 40 HGAB Cc1ccc(CN(C(=O)COc2ccc(C)c(C)c2)[C@H]2CCS(=O)(=O)C2)cc1 16742337 YEYHCRLYVNIAGZ-FQEVSTJZSA-N 401.528 3.207 0 40 HGAB Cc1ccc(-c2noc(Cn3cnc4c(nnn4-c4cccc(Cl)c4)c3=O)n2)cc1 16843159 SSQDMADEKNEVKR-UHFFFAOYSA-N 419.832 3.037 0 40 HGAB CCCC(=O)NC(=S)Nc1ccc(N2CCN(C(=O)CCC)CC2)c(Cl)c1 17088741 VDSQMUPEHJKMDV-UHFFFAOYSA-N 410.971 3.402 0 40 HGAB CCS(=O)(=O)N1CCCc2cc(NS(=O)(=O)c3ccc(C)cc3C)ccc21 17316558 RVQXWSVONDVFEQ-UHFFFAOYSA-N 408.545 3.207 0 40 HGAB Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)N[C@@H](c1ccc3c(c1)OCCO3)C(C)C)C2=O 17368194 GXHQVJUXLJOIRI-QVKFZJNVSA-N 422.481 3.264 0 40 HGAB Cc1ccc(NC(=O)[C@H]2CCCCN2S(=O)(=O)c2cccc3nsnc23)cc1 19077347 YRGQFPSXDYWJRD-MRXNPFEDSA-N 416.528 3.182 0 40 HGAB COc1cc(CCC(=O)N2CCC[C@@H]2c2nc(C)ncc2-c2ccncc2C)on1 19239812 RXHLYQGPJPEIMP-LJQANCHMSA-N 407.474 3.448 0 40 HGAB O=c1ccc(-c2cccs2)nn1CC1(O)C[C@@H]2CCC[C@H](C1)N2Cc1ccccn1 19401443 IIHCDCFXTGIKEB-LIMIJEPZSA-N 422.554 3.315 0 40 HGAB COCCC(=O)N1CC[C@@](Cc2ccccc2-c2ccccc2F)(C(=O)N(C)C)C1 19579954 JLLYAMAGQRXPIO-DEOSSOPVSA-N 412.505 3.379 0 40 HGAB CN1CCC2(CC1)CN(CC(=O)NC1CCCCCCC1)C(=O)c1ccccc1O2 19588393 XPFCLCITJSXMMK-UHFFFAOYSA-N 413.562 3.215 0 40 HGAB CC(C)(C)c1ccc(C(=O)C[C@@]2(O)C(=O)N(CN3CCOCC3)c3ccccc32)cc1 19890346 MFDYBPCKVDDNSI-VWLOTQADSA-N 422.525 3.081 0 40 HGAB CCOC(=O)c1ccccc1NS(=O)(=O)c1ccc(N2CCCC2=O)c(C)c1 20107213 YNJFPSAOGKFVPG-UHFFFAOYSA-N 402.472 3.099 0 40 HGAB CCOC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)c1 20457291 OTCMDQZSYRJDQB-UHFFFAOYSA-N 402.472 3.099 0 40 HGAB Cn1cccc1[C@H](CNS(=O)(=O)c1cccs1)N1CCc2ccccc2C1 21153414 BJVPSVPKYCHGJM-IBGZPJMESA-N 401.557 3.165 0 40 HGAB COc1cc(NC(=O)Cn2c(=O)c(N3CCCCC3)nc3ccccc32)cc(OC)c1 21657630 CAQQYTGAKZZFOM-UHFFFAOYSA-N 422.485 3.043 0 40 HGAB C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)NCCSCc1ccc(Cl)cc1)C2=O 22983652 NFCBSBRTALTJKA-VLIAUNLRSA-N 423.966 3.190 0 40 HGAB COc1ccc(/C=C/C(=O)NC[C@H](c2ccc(F)cc2)N2CCOCC2)cc1OC 23154951 OVGJGPGXSFXMNT-ROTNKFJQSA-N 414.477 3.046 0 40 HGAB COc1ccc(N(CC(=O)NC2CC2)S(=O)(=O)c2c(C)c(C)cc(C)c2C)cc1 23162123 AMUPEOZMXWZLRR-UHFFFAOYSA-N 416.543 3.403 0 40 HGAB COC(=O)c1ccc(S(=O)(=O)N2CCC[C@H](c3nc4ccccc4o3)C2)cc1 24683941 ININOQIELBEPCH-HNNXBMFYSA-N 400.456 3.183 0 40 HGAB CSc1ccc(N2C[C@@H](C(=O)Nc3ccc(C(=O)NC4CC4)cc3)CC2=O)cc1 24969650 OWWFLNXMDNPJRN-HNNXBMFYSA-N 409.511 3.292 0 40 HGAB CC[C@H](C)N(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2ccn(C)c2)CC1 28024436 IEGLHTIQTOZQCY-SFHVURJKSA-N 417.575 3.253 0 40 HGAB COC(=O)c1cccc(S(=O)(=O)N[C@@H](C)c2cnn(-c3ccc(F)cc3)c2C)c1 32808805 ATDNMTPRRPSJGC-ZDUSSCGKSA-N 417.462 3.146 0 40 HGAB Cc1nc2c(c(C)c1CCC(=O)OCCOc1ccccc1Cl)c(=O)[nH]n2C 32913700 OXOAVOFKTVTMCT-UHFFFAOYSA-N 403.866 3.087 0 40 HGAB Cc1ccc(N2CCN(C(=O)CC[C@H]3NC(=O)c4ccccc4N=C3O)CC2)c(C)c1 36593917 CEJIFFICWDAOAU-HXUWFJFHSA-N 420.513 3.132 0 40 HGAB O=S(=O)(NCCc1cccnc1)c1cc(Br)ccc1Br 37492341 WSVYYHLKMWTHHO-UHFFFAOYSA-N 420.126 3.128 0 40 HGAB Cc1ccc(NC(=O)c2ccc(CS(C)(=O)=O)cc2)c(-c2nc(C3CC3)n[nH]2)c1 47421130 FPPWJSITDWDCFJ-UHFFFAOYSA-N 410.499 3.454 0 40 HGAB Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)N[C@H](C)c1cccc(S(N)(=O)=O)c1 48193061 UQHFKUNGFVPVIH-DYVFJYSZSA-N 405.520 3.309 0 40 HGAB Cc1csc(=O)n1CCC(=O)NCc1ccc(CN2C[C@@H](C)C[C@H](C)C2)cc1 48310833 DUSBFTNATILSSL-IRXDYDNUSA-N 401.576 3.403 0 40 HGAB COCCOc1ccc(S(=O)(=O)Nc2cccc(-n3nccc3C)c2)cc1C 57990966 GKRURZRMNGDGES-UHFFFAOYSA-N 401.488 3.315 0 40 HGAB Cc1ccc(-c2csc3ncc(C(=O)NCc4ccc5c(c4)OCO5)c(=O)n23)cc1 64787903 UCKRQZFWHQQNMM-UHFFFAOYSA-N 419.462 3.390 0 40 HGAB CSc1cccc(NC(=O)[C@H]2CCN(S(C)(=O)=O)c3cc(C)ccc3O2)c1 64988615 RHTVYDUTNRPHJM-GOSISDBHSA-N 406.529 3.273 0 40 HGAB CCc1nc(NC(=O)c2cccc(N3NC(=O)[C@H]4CC=CC[C@@H]4C3=O)c2)sc1C 69928843 VLYSEOGMHVTSKB-HOTGVXAUSA-N 410.499 3.226 0 40 HGAB Cc1nc(C2=CCN(Cc3c(F)cccc3F)CC2)nc(N2CCOCC2)c1C 72339604 DGHGCQDZXOGONF-UHFFFAOYSA-N 400.473 3.498 0 40 HGAB O=C(Nc1nc2c(s1)CN(C(=O)Nc1ccc3c(c1)OCO3)CC2)c1ccccn1 77145405 ZSZCKWLZNNTKSD-UHFFFAOYSA-N 423.454 3.109 0 40 HGAB COc1cc(CNC(=O)Cc2coc(-c3ccc(Cl)cc3)n2)ccc1OCCO 83923653 XFYCBWNPWHPKCG-UHFFFAOYSA-N 416.861 3.234 0 40 HGAB COC(=O)c1ccc2c(c1)c(I)nn2C(=O)OC(C)(C)C 89195655 GLKLIQCSYBOCII-UHFFFAOYSA-N 402.188 3.211 0 40 HGAB Cc1cc(S(=O)(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)sc1Br 89608804 RLDSSUSEAJVNJP-UHFFFAOYSA-N 417.228 3.327 0 40 HGAB Cc1nc(-c2nc(C(=O)NCc3ccncc3)c3ccccn23)cn1Cc1ccncc1 96155213 HMQQEPHRBNTCHO-UHFFFAOYSA-N 423.480 3.275 0 40 HGAB O=Cc1ccccc1OC(=O)c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@H]3C2=O)c1 100397786 RFLWIOWPGUENSI-ATUYINLCSA-N 413.429 3.276 0 40 HGAB Cc1cnc(C(=O)Nc2ccc(S(=O)(=O)N[C@@H](C)[C@H]3C[C@H]4CC[C@H]3C4)cc2)cn1 104748660 PDSHEVHHSRORCH-IUVQAAGXSA-N 414.531 3.140 0 40 HGAB CCn1c(CNC(=O)c2ccc(OC)cc2)nnc1SCCOc1ccccc1 107552288 XQPYYWOPOUOPLU-UHFFFAOYSA-N 412.515 3.408 0 40 HGAB N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cc(C(F)(F)F)cc(C(F)(F)F)c1 137101446 ABRNRMCBTPZDPW-NXEZZACHSA-N 404.357 3.378 0 40 HGAB CC[C@@H](C(=O)N[C@H](C)c1ccc(OC)cc1)N(c1cccc(C)c1)S(C)(=O)=O 220521437 ZRYDFZGIKSDNAA-UZLBHIALSA-N 404.532 3.426 0 40 HGAB Cc1cccc(CCCNC(=O)CCCN(c2ccccc2F)S(C)(=O)=O)c1 222659221 GAACXKKXUKUKEV-UHFFFAOYSA-N 406.523 3.429 0 40 HGAB COc1ccccc1N(CCCC(=O)NC(C)(C)Cc1ccccc1)S(C)(=O)=O 223241560 SOGZGFNINWSRQL-UHFFFAOYSA-N 418.559 3.379 0 40 HGAB CCCc1ccc(OCCNC(=O)CN(c2ccc(CC)cc2)S(C)(=O)=O)cc1 223787020 FVGNQQTUUGNINE-UHFFFAOYSA-N 418.559 3.163 0 40 HGAB CC(C)Sc1ccccc1C(=O)NCCOc1ccc(S(=O)(=O)N(C)C)cc1 224249944 NGAVEXPGNVEIRL-UHFFFAOYSA-N 422.572 3.246 0 40 HGAB Cc1ccc(S(=O)(=O)N2CC[C@H](Oc3ncccc3Br)C2)cc1C 238881298 PIAMCEIMJXMDSR-AWEZNQCLSA-N 411.321 3.303 0 40 HGAB Cc1cc(C)n2nc(CC(=O)Nc3ccc(CC[C@H]4CCN(C)C[C@H]4C)cc3)nc2n1 257207090 BGGZICMIEFPWTK-UZLBHIALSA-N 420.561 3.443 0 40 HGAB CN(Cc1ccccc1)C(=O)c1c[nH]nc1C1CCN(C(=O)C[C@H]2CCCCO2)CC1 257212604 CEEFZIPGFJRDSB-HXUWFJFHSA-N 424.545 3.347 0 40 HGAB Cc1nccn1-c1cccc([C@@H]2CCCN2C(=O)c2ccccc2OCCN(C)C)n1 257249156 JHAKNGWPGAMZAV-NRFANRHFSA-N 419.529 3.493 0 40 HGAB COc1ccc(-c2cnc3n2C[C@]2(CCN(Cc4ccc5c(c4)OCO5)C2)OC3)cc1 306144281 ZBBMJHOKKDIWCX-XMMPIXPASA-N 419.481 3.462 0 40 HGAB Cc1cccc(NC(=O)C[C@H]2C(=O)OCN2C(=O)OCc2ccccc2)c1Cl 408737189 LTWUYXZZCMXQJI-INIZCTEOSA-N 402.834 3.499 0 40 HGAB O=C(N[C@H]1C(=O)N/[N+](=C\c2ccc(Cl)cc2)[C@H]1c1ccccc1)c1ccccc1 409052738 HXWOXDUAHMBITL-NAGXTHEASA-O 404.877 3.356 0 40 HGAB Cc1cc(C)nc(Nc2nccnc2[C@H]2CCCN(C(=O)/C=C/c3ccccc3)C2)n1 585292889 UBZXFVZGYWGAHL-CFGKVWFZSA-N 414.513 4.046 0 40 HGAB C[C@@H]1C[C@@H](NC(=O)N2Cc3ccccc3-c3ccccc3C2)C(=O)N1c1cnn(C)c1 608733036 JAUUXHOIOXRZIF-OPAMFIHVSA-N 415.497 3.306 0 40 HGAB C[C@H](NC(=O)c1ccc2c(c1)Cc1cccc(c1)CN(C)CCCCCO2)C(=O)O 643580551 WGVNJXCOYLBVHM-KRWDZBQOSA-N 410.514 3.475 0 40 HGAB CC(C)Oc1cncc(C(=O)N2CCNC(=O)[C@H]2c2ccc(C(F)(F)F)cc2)c1 677621893 XFNQJKIMZLMBMT-QGZVFWFLSA-N 407.392 3.201 0 40 HGAB O=S(=O)(Nc1ccccc1F)c1ccc(F)c(S(=O)(=O)C(F)(F)F)c1 1188757504 DLDOTTQUIQJTFE-UHFFFAOYSA-N 401.334 3.059 0 40 HGAB COc1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)nc2c(F)cc(F)cc12 1888942788 NUPVTVPTWUCGQA-UHFFFAOYSA-N 407.417 3.215 0 40 HGAB COc1ccc(C(=O)OCCOc2ccc(C)cc2)cc1S(=O)(=O)NC(C)(C)C 11836782 YZJIZGBFQFQVTB-UHFFFAOYSA-N 421.515 3.316 0 40 HGAB COc1ccccc1-c1nnc(SCC(=O)Nc2ccc(Cl)cc2F)n1N 3283351 NBQMLNFZGOHJBV-UHFFFAOYSA-N 407.858 3.191 0 40 HGAB CCOC(=O)CNC(=O)CSc1nc(C(C)C)nc2sc3c(c12)CCCC3 4218047 JUQVFLNJUXGADD-UHFFFAOYSA-N 407.561 3.465 0 40 HGAB CCN1CCN(C(=O)c2ccc(C)c(S(=O)(=O)Nc3cccc(C)c3C)c2)CC1 6706764 BRCBEIKBRJZDEL-UHFFFAOYSA-N 415.559 3.190 0 40 HGAB Cc1ccc(-c2cc(C(=O)OCC(=O)NC(=O)NCC(C)C)c3ccccc3n2)o1 6839646 WPOFGVWHYVNMSF-UHFFFAOYSA-N 409.442 3.442 0 40 HGAB CCOC(=O)c1oc2ccccc2c1COC(=O)c1ccc(S(C)(=O)=O)cc1 7470652 ZJSQTLVDSGYLIC-UHFFFAOYSA-N 402.424 3.370 0 40 HGAB O=C(CCNC(=O)c1ccc(F)cc1F)NCc1ccc(CN2CCCCC2)cc1 22277245 MEQOVYDYGRQSRA-UHFFFAOYSA-N 415.484 3.387 0 40 HGAB Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)NCc3ccccc3)CC2)c(C)c1 8333556 XHFWYNDTVUIGPB-UHFFFAOYSA-N 400.544 3.329 0 40 HGAB Cc1ccc(N(CC(=O)NCCCOC(C)C)S(=O)(=O)c2ccccc2)c(C)c1 8368971 OKNAUPRWLZIGKS-UHFFFAOYSA-N 418.559 3.430 0 40 HGAB Cc1cc(C(F)F)nn1CC(=O)Nn1c(C)nc2sc3c(c2c1=O)CC[C@@H](C)C3 2779062 NBJPLPVABHFIAZ-SECBINFHSA-N 421.473 3.104 0 40 HGAB O=C(CSc1nc(CCC2CCCC2)n[nH]1)N[C@@H]1CCN(Cc2ccccc2)C1 23080919 BJTJTHUFKMANSM-LJQANCHMSA-N 413.591 3.410 0 40 HGAB O=C(CCc1nc2sc3c(c2c(=O)[nH]1)CCC3)OCC(=O)c1c[nH]c2ccccc12 9669518 GYJFCLBCPICAHF-UHFFFAOYSA-N 421.478 3.313 0 40 HGAB COc1ccc(OC)c2[nH]c(C(=O)N3CCC[C@@H](c4nnc5ccccn45)C3)cc12 12389926 ZNOWITSFKPGELM-CQSZACIVSA-N 405.458 3.248 0 40 HGAB C[C@H](NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1)c1ccccc1 24612642 GBXHVIPIHXVIAO-INIZCTEOSA-N 404.507 3.245 0 40 HGAB CCOc1ccc(NC(=O)COc2ccc(S(=O)(=O)N(CC)CC)cc2C)cc1 28207716 UNIUOBPGIRNQRS-UHFFFAOYSA-N 420.531 3.442 0 40 HGAB Cc1cccc(N2C[C@H](C(=O)N3CCN(C)c4nc5ccccc5nc43)CC2=O)c1C 25090563 XXTZRBGWPKXLDS-QGZVFWFLSA-N 415.497 3.083 0 40 HGAB CCOC(=O)c1ccc(N2CCN([C@@H](C)c3nc(-c4ccc(C)cc4)no3)CC2)nc1 25494497 GRQVUJZGPHKOHQ-KRWDZBQOSA-N 421.501 3.500 0 40 HGAB CCOC(=O)N1CCN([C@H](C)C(=O)Nc2nc(-c3ccc(C)cc3)cs2)CC1 35279503 BIRXKEODDKNHIL-OAHLLOKOSA-N 402.520 3.220 0 40 HGAB CC[C@H]1CCCCN1C(=O)Cn1c(=O)n(-c2cccc(C)c2)c(=O)c2sccc21 57490010 UWVXKMKJDYAUAY-INIZCTEOSA-N 411.527 3.313 0 40 HGAB O=C(Nc1cc(F)cc(F)c1)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1 27027910 GHIQLEJUALUQIZ-UHFFFAOYSA-N 415.849 3.053 0 40 HGAB O=C(NC(=S)N1CCOCC1)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 3215428 KRJDKMQTZHGAPA-UHFFFAOYSA-N 410.474 3.025 0 40 HGAB Cc1c(CCC(=O)NCC2CCC(C(=O)O)CC2)c(=O)oc2c(C)c(O)ccc12 2096750 CCOOPZMQWBKIGQ-UHFFFAOYSA-N 401.459 3.055 0 40 HGAB biogenic C[C@H](NCC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1ccc(Cl)cc1 57789063 IRUSWNFQDXPMQT-HNNXBMFYSA-N 421.950 3.414 0 40 HGAB O=C(Cn1cnc2cc(F)ccc2c1=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 27438664 LSUKMWOTMSGNMM-IBGZPJMESA-N 423.444 3.061 0 40 HGAB CCCc1nnc(S)n1CC(=O)NCc1cccnc1Oc1cccc(F)c1 58158788 WJFQHZMOXBXDPM-UHFFFAOYSA-N 401.467 3.162 0 40 HGAB O=C(Nc1ccccc1NS(=O)(=O)c1cccs1)[C@H]1CC=CC[C@H]1C(=O)O 12605719 ZNZHVJHJFLPPAI-QWHCGFSZSA-N 406.485 3.154 0 40 HGAB CC(C)[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)NCc1cccs1 12686905 URKMKXVMHJDSBM-HNNXBMFYSA-N 420.478 3.386 0 40 HGAB CCc1ccc(N(CC(=O)NCCCc2ccc(Cl)cc2)S(C)(=O)=O)cc1 22361639 BMZMNDJMAGPHDA-UHFFFAOYSA-N 408.951 3.417 0 40 HGAB CN(Cc1cc(C[C@@H]2C[C@H](NC(=O)N3CCOCC3)C2(C)C)no1)c1ccccc1 67890345 CMYRBPWUWJHBEV-UTKZUKDTSA-N 412.534 3.310 0 40 HGAB biogenic,in-vitro O=C(COc1ccc(-c2nnco2)cc1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 36396329 TXJALKFEOFBPFX-GOSISDBHSA-N 407.426 3.250 0 40 HGAB COc1ccc(NC(=O)CSc2nnc(-c3ccccc3OC)n2N)cc1Cl 2371751 JNIZKNQEHRSFIB-UHFFFAOYSA-N 419.894 3.060 0 40 HGAB CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)NCc1ccc(C(=O)N2CCCC2)cc1 36661146 AHXLTGLICDMGCB-GCJKJVERSA-N 421.541 3.384 0 40 HGAB CC[C@](C)(C(=O)NC1CCCC1)N(C[C@H]1CCCO1)C(=O)c1ccc2c(c1)OCO2 2457392 MEEKJTGSRXDPEW-WZONZLPQSA-N 416.518 3.264 0 40 HGAB Cc1ccc(-c2nnc(SCC(=O)Nc3cccc(Br)c3)n2N)cc1 2422039 MZYKLNKXLNEETE-UHFFFAOYSA-N 418.320 3.461 0 40 HGAB Cc1ccc(O[C@H](C)C(=O)N2CCN(Cc3nc(-c4ccc(C)cc4)no3)CC2)cc1 12757416 JXLGGVQXUAKJAK-LJQANCHMSA-N 420.513 3.465 0 40 HGAB O=C(O)CCSC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 2583240 YKNUYRWJAGKPHE-SFHVURJKSA-N 415.467 3.186 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCOc2ccc(C)cc2)c1 12885514 HXBUUZXHNZPDRO-UHFFFAOYSA-N 424.950 3.488 0 40 HGAB CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SC[C@@H]3CCCCO3)o2)c1 3542854 VMZMTMOGYXVOJM-HNNXBMFYSA-N 411.549 3.428 0 40 HGAB CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1ccc(CSC(F)F)o1 12924488 LUVQAFWFMHHMJE-UHFFFAOYSA-N 416.471 3.189 0 40 HGAB COC(=O)Cn1cc(/C=c2\sc3nc4cc(C)c(C)cc4n3c2=O)c2ccccc21 408791506 ZIYFDQGPKPQHMF-JMIUGGIZSA-N 417.490 3.201 0 40 HGAB CCCNC(=O)[C@H]1CC(=O)N(c2ccc(OCC(=O)Nc3cc(C)cc(C)c3)cc2)C1 4180680 WTWBNDAEIJRLGO-SFHVURJKSA-N 423.513 3.200 0 40 HGAB O=C(C[C@@H]1C(=O)Nc2ccccc2N1C(=O)COc1ccccc1)Nc1ccccc1 6282525 VLFAXUUIEHUCBY-OAQYLSRUSA-N 415.449 3.448 0 40 HGAB Cc1ccc(S(=O)(=O)NC(=O)Nc2sc(-c3ccccc3)cc2C(N)=O)cc1 8882038 MBFTZUBUMFKQJI-UHFFFAOYSA-N 415.496 3.333 0 40 HGAB COc1ccc(-c2nnc(S[C@H](C)C(=O)NCc3ccc4c(c3)OCO4)o2)cc1 4470271 FFVWCWRGLUZNFH-GFCCVEGCSA-N 413.455 3.271 0 40 HGAB Cc1ccc([C@H]2OCCn3c(-c4ccccc4)c4c(=O)n(C)c(=O)n(C)c4c32)cc1 5348953 ZBPNUYFOZYKPJZ-JOCHJYFZSA-N 401.466 3.134 0 40 HGAB Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc(C)c(S(=O)(=O)N(C)C)c3)cc2)n1 6449922 ZWNSJUIOJSMOOD-UHFFFAOYSA-N 412.515 3.300 0 40 HGAB COc1ccc(COC(=O)[C@@H]2CS[C@@]3(c4ccccc4)CCC(=O)N23)cc1F 6450388 UTVADMXXLGRNCX-LAUBAEHRSA-N 401.459 3.468 0 40 HGAB COc1ccc(OCCCN2C(=O)N[C@@]3(CCCc4cc(OC)ccc43)C2=O)cc1 14253438 LQVNPKQGOACOTB-HSZRJFAPSA-N 410.470 3.256 0 40 HGAB C[C@H](c1ccccc1)N1C(=O)N[C@](NC(=O)CCc2ccccc2)(C(F)(F)F)C1=O 4686623 LPXRIJMNCFASEZ-VLIAUNLRSA-N 419.403 3.307 0 40 HGAB Cc1cc(C)n(CCCNC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)n1 6602338 DJHANMFIMUIUEP-UHFFFAOYSA-N 415.497 3.078 0 40 HGAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1nc(-c2ccccc2)oc1C 14697111 AQXVIFFQRARDDM-UHFFFAOYSA-N 415.471 3.161 0 40 HGAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)OC(=O)c1cccc(NS(C)(=O)=O)c1 6858566 KGXDWKFPJBIOAW-ZDUSSCGKSA-N 400.456 3.276 0 40 HGAB O=C(NCc1cccnc1)c1cccc(NC(=O)N2CCN(c3ccccc3)CC2)c1 71282362 KVENSZUWYRNLIK-UHFFFAOYSA-N 415.497 3.366 0 40 HGAB COCCn1ccc2c(NC(=O)Cn3nc(-c4cccs4)ccc3=O)cccc21 71283974 AKOFZLUIFKIEAS-UHFFFAOYSA-N 408.483 3.212 0 40 HGAB Cc1nc(-c2ccc(Cl)cc2)n(CC(=O)Nc2ccc(F)cc2)c(=O)c1CCO 67300527 MHGGEIHOOGEUIB-UHFFFAOYSA-N 415.852 3.185 0 40 HGAB Cc1cccc(OC[C@H](O)CN2C(=O)N[C@@](C)(c3cccc4ccccc34)C2=O)c1 7201319 MIDVIKXXJHAEOZ-KOSHJBKYSA-N 404.466 3.355 0 40 HGAB Cn1c(C(=O)NC[C@@H]2CC3(CCN(Cc4ccncc4)CC3)O2)cc2ccccc21 306137497 QXTYIOCBDKXXJR-FQEVSTJZSA-N 404.514 3.127 0 40 HGAB CCCCN1C(=O)C(=O)N(CC(=O)c2cc(C)n(CCc3ccccc3)c2C)C1=O 8131854 ISJMTXHFFKRZCP-UHFFFAOYSA-N 409.486 3.121 0 40 HGAB CC(=O)c1c(C)[nH]c(C(=O)Nc2cccc(S(=O)(=O)NCc3ccco3)c2)c1C 8232000 IJTKCMSYFBWOJA-UHFFFAOYSA-N 415.471 3.158 0 40 HGAB C[C@H](NC(=O)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1)C1CC1 8357108 TYTWGTSSSHBCNQ-NSHDSACASA-N 405.347 3.309 0 40 HGAB COc1ccc(OCc2nnc3n2N=C(c2cccs2)[C@@H](CC(=O)O)S3)cc1 9578619 MVCXCDOTENGGBT-CQSZACIVSA-N 416.484 3.129 0 40 HGAB C[C@]1(Cc2ccc3c(c2)OCO3)NC(=O)N(Cc2ccc(Br)cc2)C1=O 9799079 REGFJZUKHOLUDH-LJQANCHMSA-N 417.259 3.231 0 40 HGAB C[C@H](OC(=O)c1ccc2c(c1)NC(=O)CCN2C)C(=O)Nc1ccc(Cl)cc1 95963941 MVHVYHAXWHCERT-LBPRGKRZSA-N 401.850 3.302 0 40 HGAB CCc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)s1 95995706 KVLLOCZCHBOFOX-UHFFFAOYSA-N 423.541 3.307 0 40 HGAB CC(C)N(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CCc1nc(-c2ccsc2)no1 24945537 PVEUONVJLDLKQB-UHFFFAOYSA-N 423.498 3.404 0 40 HGAB O=C(O)c1ccc(-n2cccc2/C=C2\NC(=O)N(Cc3ccc(F)cc3)C2=O)cc1 409240003 PEGVPJFASCNGID-UNOMPAQXSA-N 405.385 3.408 0 40 HGAB CCOC(=O)COc1ccc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)cc1 409104098 DLPWMAWHOQTDSO-LICLKQGHSA-N 400.818 3.379 0 40 HGAB Cc1ccc(CNC(=O)c2ccccc2NC(=O)C(=O)NCc2ccccc2C)cc1 408709684 FLCMGOAFMHUWTK-UHFFFAOYSA-N 415.493 3.488 0 40 HGAB O=C(Cc1ccccc1)N1CCN(C(=O)c2csc(Cc3ccc(F)cc3)n2)CC1 550123629 VCPJTMDALNAAEA-UHFFFAOYSA-N 423.513 3.400 0 40 HGAB Cc1cc(C)c(N(CC(=O)NCCCN(C)c2ccccc2)S(C)(=O)=O)c(C)c1 219149847 QPSJLTSUKQKMQG-UHFFFAOYSA-N 417.575 3.021 0 40 HGAB CC[C@@H](C(=O)N[C@@H](C)COc1ccccc1C)N(c1ccc(C)cc1)S(C)(=O)=O 219101687 ITYKCEYJYGMPTQ-ICSRJNTNSA-N 418.559 3.432 0 40 HGAB C[C@H]1CCC[C@H](C)N1S(=O)(=O)c1ccc(NC(=O)CN2CCCCCC2)cc1 35313663 YGDBYGJITSLPBV-ROUUACIJSA-N 407.580 3.453 0 40 HGAB CN(CCO)[C@H]1c2cc(-c3ccccc3)cnc2Sc2nc(-c3cccnc3)nn21 72396307 VPAIEGLEGAZZLO-OAQYLSRUSA-N 416.510 3.338 0 40 HGAB CN(C)S(=O)(=O)N(CC(=O)Nc1ccc(Cl)cc1Cl)c1ccccc1F 216371817 LOHGNYFUINYZSG-UHFFFAOYSA-N 420.293 3.384 0 40 HGAB CSc1ccc(S(=O)(=O)N[C@H](C)COc2ccc(C)cc2)cc1NC(C)=O 224830496 SSJILUWYLORPNA-CQSZACIVSA-N 408.545 3.421 0 40 HGAB COc1ccccc1CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1ccccc1 223265211 ZXTIEFDKAVJRDJ-UHFFFAOYSA-N 422.506 3.377 0 40 HGAB CCc1ccc(N(CC(=O)Nc2nnc(SC(C)C)s2)S(C)(=O)=O)cc1 224565781 LKFNFAXQJJRDJK-UHFFFAOYSA-N 414.578 3.006 0 40 HGAB Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)s1 223168285 JWCJEZOMUXUWBV-OALUTQOASA-N 402.589 3.146 0 40 HGAB C[C@H](C(=O)NCCOc1ccccc1C(C)(C)C)N(c1ccccc1)S(C)(=O)=O 223680921 ARNKYPGMJZCMMM-QGZVFWFLSA-N 418.559 3.334 0 40 HGAB C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1[C@@H](O)[C@@H]3O 40164223 DKPMWHFRUGMUKF-NTPBNISXSA-N 408.579 3.449 0 40 HGAB endogenous,in-man COc1cccc(OC)c1CCC(=O)N(C)Cc1cc(OC)c(OC)c(OC)c1 225992921 HYDVSZHIWSPDQW-UHFFFAOYSA-N 403.475 3.321 0 40 HGAB C[C@H]1CC[C@H]2S[Sn]3(N[C@@H]4C[C@H](C)CC[C@@H]4S3)N[C@@H]2C1 196000965 RLMYADDFGLGUPO-FSIJYNJPSA-L 405.221 3.209 0 40 HGAB CCOC(=O)c1ccc(N(CC)S(=O)(=O)c2ccc(OC)c(OC)c2)c(C)c1 224815725 CNWXBRYBIWZQDN-UHFFFAOYSA-N 407.488 3.404 0 40 HGAB CC(=O)O[Sn](Cc1ccccc1)(Cc1ccccc1)OC(C)=O 196000765 DSNVDMXSHOQBIH-UHFFFAOYSA-L 419.065 3.119 0 40 HGAB CC[C@H](C(=O)Nc1cccc(C(=O)OC)c1)N(c1cc(C)ccc1C)S(C)(=O)=O 220546580 DBZHTYWKSOSFSU-GOSISDBHSA-N 418.515 3.273 0 40 HGAB CC1(C)C[C@@H](NC(=O)CN(Cc2ccccc2F)S(C)(=O)=O)c2ccccc2O1 223054871 DNKKUBMSBDZYGJ-GOSISDBHSA-N 420.506 3.006 0 40 HGAB C[C@@H](C(=O)Nc1ccccc1CN1CCCCC1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 253375270 PBURPTYVIMFIBE-YRJWVXGYSA-N 409.530 3.031 0 40 HGAB Cn1cc(C(=O)N2CCC3(CC2)C[C@@H](O)[C@H](c2ccccc2)NC3=O)c2ccccc21 257213871 CJKHGFGORUCFJN-YADHBBJMSA-N 417.509 3.023 0 40 HGAB CNc1cc(C(=O)N2CCO[C@@H](c3cccc(Cc4cccc(OC)c4)n3)C2)ccn1 257282805 OVJOCAWPPOTGIL-JOCHJYFZSA-N 418.497 3.331 0 40 HGAB COC(=O)C[C@H](c1cccc(Cl)c1)c1c(O)cc(C)n(CCc2cnc[nH]2)c1=O 604419405 LUNCVIQUTVUTPH-QGZVFWFLSA-N 415.877 3.177 0 40 HGAB CC(=O)Nc1ccc(-c2cnc3n2CCN(C(=O)c2sc(C)nc2C)CC3)cc1 585111034 AZNRGWQDUXLTQP-UHFFFAOYSA-N 409.515 3.280 0 40 HGAB CCOC(=O)C1=C(C)Oc2ncn3nc(-c4cccnc4)nc3c2[C@@H]1c1ccco1 5347407 SRQVLBDKKAGSIA-MRXNPFEDSA-N 403.398 3.141 0 40 HGAB O=C(Cc1cccc(F)c1)N1CCC([C@@H]2C[C@H](C(F)(F)F)n3ncnc3N2)CC1 12407819 GZWUTTOOPCQHBW-JKSUJKDBSA-N 411.403 3.186 0 40 HGAB Cc1nc(NC(=O)CN2CCC(Cc3ccccc3)CC2)nc2c1C(=O)C[C@@H](C)C2 13636284 BBVMVOPXMHUQJO-INIZCTEOSA-N 406.530 3.443 0 40 HGAB CC[C@H](C(=O)Nc1ccc(OC)c(OC)c1)N(c1ccc(C)cc1)S(C)(=O)=O 13713161 KNAWKBVBRBJECX-QGZVFWFLSA-N 406.504 3.196 0 40 HGAB O=C(CCN1C(=O)[C@H]2CCCC[C@H]2C1=O)Nc1ccnn1Cc1cccc(Cl)c1 14023629 SIUVADKCMAIPRW-CALCHBBNSA-N 414.893 3.089 0 40 HGAB COc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)cc1OC 14225860 NATPFWRIJUNCGA-UHFFFAOYSA-N 404.488 3.131 0 40 HGAB Cc1cccc(Oc2ccc(NC(=O)CN3CCN(C(=O)[C@H]4CCCO4)CC3)cc2)c1 16629388 SVMRPSNYKQTITA-JOCHJYFZSA-N 423.513 3.049 0 40 HGAB COc1ccc(CC(=O)N[C@@H](Cn2nc(-c3cccs3)ccc2=O)C(C)C)cc1 19451441 DDFOOHNPPBXUAH-IBGZPJMESA-N 411.527 3.364 0 40 HGAB COc1cccc([C@@H](NC(=O)[C@@H]2CC(=O)N(Cc3cccnc3)C2)c2ccccc2)c1 19564877 TXVPPTBAVQCFOQ-QPPBQGQZSA-N 415.493 3.345 0 40 HGAB Cc1nc([C@@H]2CCCN(CC(=O)N3CCCCC3)C2)nc2c1CCCN2CC1CC1 19707022 DQKSTTYYGOYJQP-HXUWFJFHSA-N 411.594 3.140 0 40 HGAB CC(C)(CC(=O)O)CC(=O)NC[C@@H]1CCC[C@@H](O)C[C@@H](c2ccccc2)C[C@@]1(C)O 643275455 HISOKEUZUXWYTJ-ZBNTXBBCSA-N 419.562 3.470 0 40 HGAB COc1ccc(CC(=O)N2CCC[C@H](c3cc4nc(C)c(C)c(O)n4n3)C2)cc1OC 12134210 OVWLDYLWQGLENC-KRWDZBQOSA-N 424.501 3.018 0 40 HGAB O=C(CS(=O)(=O)c1ccc(F)cc1)N[C@H](Cc1ccsc1)c1nccs1 12226728 SBNHLPMVRJPRAE-OAHLLOKOSA-N 410.517 3.218 0 40 HGAB CCc1cc(C(F)(F)F)n2nc([C@H]3CCCN(C(=O)C4CCOCC4)C3)cc2n1 12276484 QNWBCXGYYWVOGO-AWEZNQCLSA-N 410.440 3.443 0 40 HGAB COc1ccc(-c2nnc(SCC(=O)N(Cc3ccccc3)C(C)C)n2N)cc1 2630573 VLMXZNUYMWCASZ-UHFFFAOYSA-N 411.531 3.197 0 40 HGAB NC(=O)C1CCN(C(=O)Cc2csc(SCc3ccc(Cl)cc3)n2)CC1 8854490 PRZSXDXAVIQDEQ-UHFFFAOYSA-N 409.964 3.355 0 40 HGAB COc1cc(NC(=O)NC[C@H]2CC(=O)N(c3ccc(F)cc3)C2)cc(OC)c1OC 9039880 DMYHSLPKNCRLNO-CYBMUJFWSA-N 417.437 3.026 0 40 HGAB COc1cc(NC(=O)CSC2=Nc3ccccc3C3=N[C@H](C)C(=O)N23)cc(OC)c1 10433585 PYNDZQDXRWDIJO-GFCCVEGCSA-N 424.482 3.054 0 40 HGAB Cc1nc(-n2nc(C3CC3)cc2NC(=O)c2cc(-c3ccccc3)on2)[nH]c(=O)c1C 12127464 LOOBVKYIRCLFRE-UHFFFAOYSA-N 416.441 3.357 0 40 HGAB O=C(c1cnn(-c2ccccc2)n1)N1CCC[C@H](c2nnc(-c3cccs3)o2)C1 42379888 PJXBROULANBJGW-AWEZNQCLSA-N 406.471 3.399 0 40 HGAB COc1ccc(CNC(=O)Cc2ccc(NS(=O)(=O)c3cccs3)cc2)cc1 30513296 KLAJYZHINDXITF-UHFFFAOYSA-N 416.524 3.416 0 40 HGAB O=C(CCN1C(=O)c2ccccc2C1=O)Nc1ccc(C(=O)Nc2nccs2)cc1 20103077 GNMFGZGLPKSTAK-UHFFFAOYSA-N 420.450 3.020 0 40 HGAB O=C(c1cccs1)[C@H]([C@H](c1ccc(Cl)cc1)N1CCOCC1)N1CCOCC1 21548813 VKCYIXOKAGLMNZ-PMACEKPBSA-N 420.962 3.359 0 40 HGAB O=C(NCCc1ccc(Cl)cc1)NC[C@@H](c1ccc(F)cc1)N1CCOCC1 32862840 WQSOSUIXHJLIFL-FQEVSTJZSA-N 405.901 3.394 0 40 HGAB CS(=O)(=O)N1CCC(C(=O)NC[C@@H]2CC3c4ccccc4C2c2ccccc23)CC1 32885631 BLTAXIUKFRPBDL-YTZBPGPESA-N 424.566 3.072 0 40 HGAB CC(=O)Nc1sc2c(c1C(=O)OCC(=O)c1ccc3c(c1)OCCO3)CCCC2 2653442 GOATVGZVGOKBMJ-UHFFFAOYSA-N 415.467 3.396 0 40 HGAB Cc1cc(C)n(-c2ccc(CNC(=O)Nc3ccc([S@](C)=O)c(F)c3)cn2)n1 78974744 GHLBCZBYVUPQJR-MUUNZHRXSA-N 401.467 3.082 0 40 HGAB O=C(CSc1cccc[n+]1[O-])N(Cc1ccccc1)C[C@H](O)c1ccsc1 79094180 WIWIPGVVWJLQML-SFHVURJKSA-N 400.525 3.236 0 40 HGAB Cc1cccc2c(=O)n(CCCC(=O)N[C@H]3CCCN(Cc4ccccc4)C3)cnc12 32912080 JNYXSSIQONWVBN-NRFANRHFSA-N 418.541 3.266 0 40 HGAB O=C(CCc1c[nH]c2ccccc12)N1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1 12297019 ZYTCTMHJQOWIBP-UHFFFAOYSA-N 414.509 3.495 0 40 HGAB biogenic CCCn1c(N2CCN(CC(=O)Nc3ccc(C(C)=O)cc3)CC2)nc2ccccc21 4858109 TUQPLNPXXXJEMD-UHFFFAOYSA-N 419.529 3.410 0 40 HGAB NC(=O)c1c(NC(=O)CSc2nnc(-c3ccco3)o2)sc2c1CCCC2 2809154 IXILYAVMQJSDTD-UHFFFAOYSA-N 404.473 3.100 0 40 HGAB CCCCCNC(=O)COc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2)cc1 6597174 OKQWGINAIHVLLV-QGZVFWFLSA-N 404.532 3.411 0 40 HGAB CCOc1ccc(NC(=O)c2ccc(N(C)C)cc2)cc1S(=O)(=O)N(CC)CC 7777063 GDEIAACAAJRTSV-UHFFFAOYSA-N 419.547 3.434 0 40 HGAB Cc1nc2ncnn2c(C)c1CCC(=O)Nc1nc(-c2cc(C)n(C)c2C)cs1 8343418 RLLRLRLWNYEPNQ-UHFFFAOYSA-N 409.519 3.391 0 40 HGAB CCOc1ccccc1NC(=O)CSCC(=O)NCCc1ccc(OC)cc1 8772675 KBIYEGMYMLXWFF-UHFFFAOYSA-N 402.516 3.125 0 40 HGAB CN(C)C1(CNC(=O)CC23C[C@H]4C[C@@H](CC(Br)(C4)C2)C3)CCOCC1 105592402 HXGGRZLRGYHWGX-FDCMFXBMSA-N 413.400 3.337 0 40 HGAB CCN(c1ccc(C(=O)N2CCN(c3cccc(C)c3C)CC2)cc1)S(C)(=O)=O 26111490 NUVSTTVBEBJVBL-UHFFFAOYSA-N 415.559 3.052 0 40 HGAB CC[C@@H](OC(=O)[C@H]1CC(=O)N(c2ccc(C(=O)OC)cc2)C1)C(=O)c1ccccc1 993341 OPMHVQVXTJAXTB-PKOBYXMFSA-N 409.438 3.031 0 40 HGAB COc1ccccc1C(=O)N1CCC(c2nc(-c3ccc4c(c3)OCO4)no2)CC1 23322207 HMVSVUSEFKHFMP-UHFFFAOYSA-N 407.426 3.494 0 40 HGAB COc1cc(Cl)c(C)cc1N1C(=O)C[C@H](Nc2ccc(CC(=O)O)cc2)C1=O 23466442 GMIFWDJFGUBVJZ-HNNXBMFYSA-N 402.834 3.028 0 40 HGAB Cc1c(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)[nH]c2c1C(=O)CC(C)(C)C2 23805835 DUWOERUHVAQXNB-UHFFFAOYSA-N 423.513 3.165 0 40 HGAB C[C@H](OC(=O)Cc1ccc(N2CCCC2=O)cc1)C(=O)N[C@H]1CCCc2ccccc21 25115476 YXZUHMAZBSNJPK-JTSKRJEESA-N 420.509 3.481 0 40 HGAB COC(=O)c1cc(S(=O)(=O)Nc2ccc(CC(=O)O)cc2)c(Cl)cc1Cl 97139584 OVZCGHQMPJTYRA-UHFFFAOYSA-N 418.254 3.208 0 40 HGAB CCN(CC)C(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(OC)c(Br)c1 28724649 PFKBLNJLMPRVCZ-HNNXBMFYSA-N 412.353 3.119 0 40 HGAB O=C(Nc1ccc(CN2CCOC2=O)cc1)N[C@@H](CN1CCCC1=O)c1ccccc1 57984504 SBRQTXDTDIWARW-FQEVSTJZSA-N 422.485 3.124 0 40 HGAB C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)CS(=O)(=O)[C@H](C)c1nc(C2CC2)no1 58148311 SJJORITZCJIMJR-LSDHHAIUSA-N 417.531 3.250 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)Nc2ccc(N(C)C)cc2)cc1 12607526 ZVBDZMPPMNRXHM-CXUHLZMHSA-N 401.532 3.435 0 40 HGAB CCOc1ccc([C@H](C)NS(=O)(=O)c2ccc3c(c2)CCCN3C(C)=O)cc1 10675511 LLSKORQFDLXLDY-HNNXBMFYSA-N 402.516 3.424 0 40 HGAB O=C(COC(=O)c1ccccc1I)Nc1ccc(F)c(F)c1 3391479 IMBKZJCZKVRDDY-UHFFFAOYSA-N 417.149 3.365 0 40 HGAB COc1cccc2cc(/C=C/C(=O)Nc3cccc(S(=O)(=O)N(C)C)c3)oc12 11364829 OXSWQMRSEPIEPA-ZHACJKMWSA-N 400.456 3.344 0 40 HGAB Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCCCN2CCOCC2)cc1 12745093 CGYFITPJDYGDAB-UHFFFAOYSA-N 404.514 3.300 0 40 HGAB O=C(CSc1nc(Cc2cccs2)n[nH]1)N1CCN(c2ccccc2F)CC1 11602185 IRCSHORAGFBNRO-UHFFFAOYSA-N 417.535 3.037 0 40 HGAB CCc1cc2c(N3CCN([C@@H](C(=O)OC)c4ccc(F)cc4)CC3)ncnc2s1 12884692 VJQRQMPYIJRPEM-GOSISDBHSA-N 414.506 3.429 0 40 HGAB COc1ccc(NC(=O)c2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)cc1Cl 12820687 ZHGAPKNWHCABCZ-HNNXBMFYSA-N 424.906 3.058 0 40 HGAB Cc1sc(NC(=O)Cn2nc3n(c2=O)CCCCC3)nc1-c1ccc(F)c(F)c1 12950155 HAQFHVSXHWODQV-UHFFFAOYSA-N 419.457 3.120 0 40 HGAB CC1=C(C(=O)Nc2cccnc2)[C@H](c2ccc(Cl)cc2)n2nc(CCCO)nc2N1 6144539 PXJLLAIYUIDQFE-IBGZPJMESA-N 424.892 3.179 0 40 HGAB CCCCC[C@H](C)NC(=O)CC[C@@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O 8765066 UBOSVDIGJWJMDB-JXFKEZNVSA-N 412.534 3.496 0 40 HGAB biogenic COc1cn(-c2ccccc2)nc1C(=O)N1CCN(Cc2ccc(Cl)cc2)CC1 14169090 KVDIJCGCDGDJKE-UHFFFAOYSA-N 410.905 3.492 0 40 HGAB O=C(c1ccc(-n2cccn2)cc1)N1CCN(Cc2nc3ccccc3s2)CC1 14242365 LLTASDGUBWPCGR-UHFFFAOYSA-N 403.511 3.440 0 40 HGAB CC(=O)Oc1cc(C)cc2oc(=O)c(CC(=O)NCCc3ccccc3F)c(C)c12 6764511 PBETUYTVHVFBJD-UHFFFAOYSA-N 411.429 3.376 0 40 HGAB C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)N(C)Cc1cccc(Cl)c1Cl 14928316 QMNOFFNMZRAZKY-NSHDSACASA-N 416.330 3.100 0 40 HGAB O=C([C@H](Sc1nnnn1-c1ccc(Cl)cc1)c1ccccc1)N1CCOCC1 6842513 QZXIECICIHWBLD-QGZVFWFLSA-N 415.906 3.008 0 40 HGAB COc1ccc(-c2coc3cc(OCC(=O)N4C[C@H](C)O[C@@H](C)C4)ccc3c2=O)cc1 8991372 UKNKVDUJKXHXEN-HOTGVXAUSA-N 423.465 3.483 0 40 HGAB biogenic CCOC(=O)C1=C(CN2CCCCCC2)NC(=O)N[C@H]1c1ccc(OCC)cc1 67287676 BTDQWHMJDZIARB-FQEVSTJZSA-N 401.507 3.132 0 40 HGAB Cc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@H](C(C)C)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 16010170 RXHGYBFSZYMAQJ-KGYLXKDPSA-N 423.900 3.229 0 40 HGAB COc1ccccc1NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1 408603460 KDMCCMASDKUACA-HXUWFJFHSA-N 410.495 3.224 0 40 HGAB O=C(NCc1cccc(Cl)c1)c1cccc(N2NC(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1 84367782 VBPCUARSTJADDL-MOPGFXCFSA-N 409.873 3.230 0 40 HGAB CC[C@@]1(c2ccc(OC)cc2)NC(=O)N([C@H](C)C(=O)Nc2ccc(C(C)=O)cc2)C1=O 8315482 HCADPMVUPBKYMP-FATZIPQQSA-N 423.469 3.082 0 40 HGAB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N1CCC(C)CC1)c1ccccc1 409386839 GTDGMAFGHHOEEB-UHFFFAOYSA-N 416.543 3.457 0 40 HGAB COc1cc(C(=O)N2CCC[C@H](N3CCc4ccccc4C3)C2)cc(OC)c1OC 408613126 XNLLIYMBBDXPEM-FQEVSTJZSA-N 410.514 3.375 0 40 HGAB CN(CC(=O)OCc1nc(-c2ccc(Br)s2)no1)[C@@H]1CCSC1 89340036 DUYMUEOMVWMSBW-SECBINFHSA-N 418.338 3.041 0 40 HGAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cc(F)ccc3F)C2)cc1 20017327 ZFTAVMFUAFQRFQ-CQSZACIVSA-N 424.469 3.403 0 40 HGAB CC(C)n1cnc2nc(COc3cccc(NC(=O)c4ccc(F)cc4)c3)cc(=O)n21 21796819 VUXOQGMFPRSSRJ-UHFFFAOYSA-N 421.432 3.442 0 40 HGAB CC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)NC2CCCCC2)cc1Cl 409358033 JTVLNUYZMFLTBF-ZDUSSCGKSA-N 402.944 3.245 0 40 HGAB COc1ccc(C)cc1NS(=O)(=O)c1ccc(O[C@@H](C)C(=O)NC(C)C)cc1 408610704 VJPIPCSAWYYVNN-HNNXBMFYSA-N 406.504 3.096 0 40 HGAB NC(=O)CCc1nnc(SCc2ccccc2C(F)(F)F)n1C[C@H]1CCCO1 32905068 KSVCUDKIKHOIJZ-CYBMUJFWSA-N 414.453 3.186 0 40 HGAB CC(C)n1cnc([C@H]2CN(Cc3ccco3)C[C@]23CCN(Cc2ccncc2)C3=O)c1 306133218 MFKDTSHKJNOXDP-ZJSXRUAMSA-N 419.529 3.470 0 40 HGAB CC(C)Oc1ccc(N2C[C@@H](C(=O)N3CCN(Cc4ccccc4)CC3)CC2=O)cc1 408708313 PDVYUQNBRKVSHH-NRFANRHFSA-N 421.541 3.171 0 40 HGAB O=C(Nc1nnc(C2CC2)s1)c1ccc(N2CCCCS2(=O)=O)cc1Cl 71282804 DZWMHTMFESEEST-UHFFFAOYSA-N 412.924 3.251 0 40 HGAB CCOC(=O)c1ccc(C)c(NC(=O)[C@@H](CC)N(c2ccccc2)S(C)(=O)=O)c1 219083038 QMVIFITZTHCOJK-LJQANCHMSA-N 418.515 3.355 0 40 HGAB CC(=O)[C@]1(OS(=O)(=O)O)CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C 36371948 FOZOMGIBIVGVDR-UMKHLJCSSA-N 412.548 3.457 0 40 HGAB COc1ccccc1C1(NC(=O)CCCC[C@@H]2SC[C@H]3NC(=O)N[C@H]32)CCCC1 72346498 QSLXFXJIPLJSOQ-IMFGXOCKSA-N 417.575 3.307 0 40 HGAB CCOC(=O)c1cccc(NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c1C 219977344 WVPQQJXFICDTOM-UHFFFAOYSA-N 416.499 3.209 0 40 HGAB Cc1ccc(Oc2nccn3c(=O)n(CC(=O)Nc4cccc(C)c4C)nc23)cc1 49008271 LOFZHEVZLLBIER-UHFFFAOYSA-N 403.442 3.247 0 40 HGAB CCN(CC)C(=O)N1CCC[C@@H](C(=O)Nc2cccc(N3CCCCC3=O)c2)C1 40133643 ZMURXNSHEIEJFK-QGZVFWFLSA-N 400.523 3.316 0 40 HGAB COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccccc1 223696255 KQQIOOVSVPCLKP-LEWJYISDSA-N 406.511 3.408 0 40 HGAB CCCn1c(=O)sc2cc(S(=O)(=O)NCCSCc3ccco3)ccc21 225724450 YBJZNOPIPQEBHD-UHFFFAOYSA-N 412.558 3.278 0 40 HGAB COC(=O)c1cc(S(=O)(=O)Nc2sc3c(c2C(=O)OC)CCCC3)ccc1C 223868890 APBIUHWGJUTCIE-UHFFFAOYSA-N 423.512 3.309 0 40 HGAB CCS(=O)(=O)Nc1ccc(C(=O)NCc2ccccc2CN2CCCCC2)cc1 224827137 XXAVEUDFBIRBQN-UHFFFAOYSA-N 415.559 3.364 0 40 HGAB CCOC(=O)CN(C(=O)c1cn(Cc2ccc(Cl)cc2Cl)nn1)C(C)(C)C 1537836118 ZJFIUIXARAGVBM-UHFFFAOYSA-N 413.305 3.437 0 40 HGAB Cc1ccccc1-c1csc2c(=O)[nH]c(N3CCC[C@H](C(=O)NC4CC4)C3)nc12 49421417 IJBGQVLBDUGRMT-AWEZNQCLSA-N 408.527 3.455 0 40 HGAB CCOCCCNc1ccc(C(=O)OC)cc1S(=O)(=O)Nc1ccc(C)cc1 223412596 KKXQOIHBODYIGW-UHFFFAOYSA-N 406.504 3.421 0 40 HGAB COc1ccc(NC(=O)Cn2ccc(=O)c3cc(Br)ccc32)c(OC)c1 225728987 NNHNUSCBUBUZMZ-UHFFFAOYSA-N 417.259 3.420 0 40 HGAB COc1ccc([C@@H](C)NC(=O)[C@H](C)N(c2cc(C)ccc2OC)S(C)(=O)=O)cc1 220347071 TWVSNPGFGLVWDY-CVEARBPZSA-N 420.531 3.044 0 40 HGAB CCOC(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(OCC)cc1 224585005 LBWUOULVGYSHIL-UHFFFAOYSA-N 407.488 3.242 0 40 HGAB Cc1ccc(-c2nnc(NC(=O)c3ccc(C)c(N(C)S(C)(=O)=O)c3)s2)cc1 224688459 XDYWGDSIHIENCP-UHFFFAOYSA-N 416.528 3.470 0 40 HGAB CN(Cc1ccc(F)c(F)c1)C(=O)[C@H]1CCCCN1S(=O)(=O)c1cccs1 48019910 WIXDLQNNEGNCNB-MRXNPFEDSA-N 414.499 3.228 0 40 HGAB CSc1cccc(N(CC(=O)NCCSC2CCCCC2)S(C)(=O)=O)c1 220065266 NJOMVZNUTXUILH-UHFFFAOYSA-N 416.634 3.357 0 40 HGAB CCOC(=O)C1CCN(C(=O)[C@H]2Cc3ccccc3CN2Cc2ccc(O)cc2)CC1 199415712 JZPFOKDOFDNPBU-HSZRJFAPSA-N 422.525 3.121 0 40 HGAB CCOC(=O)c1c(NC(=O)[C@H](C)N2C[C@H](C)O[C@@H](C)C2)sc2c1CC[C@@H](C)C2 230015008 CJWNNNIRFKIZOX-QPSCCSFWSA-N 408.564 3.486 0 40 HGAB CC1(C)Oc2cc(O)ccc2[C@H]2O[C@H]3CCCN(C(=O)CCCC(=O)O)[C@H]3C[C@@H]21 257338008 YVKIFMKEEWTBOC-NWZZKEMCSA-N 403.475 3.255 0 40 HGAB CCNC(=O)Cc1c(C)nc([C@@H]2CCCN(C(=O)Cc3cccc(C)c3)C2)nc1C 257219081 DFNAIBWNXPBECT-HXUWFJFHSA-N 408.546 3.029 0 40 HGAB Cc1ccc([C@H](CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)OCCO)cc1 96338097 GUINIGLVHWNFRC-KRWDZBQOSA-N 403.422 3.042 0 40 HGAB Cc1ccc(Cl)cc1S(=O)(=O)N(Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 575426462 UAGIXSCXCVIVAS-KRWDZBQOSA-N 413.948 3.026 0 40 HGAB COC(=O)CN1C(=S)N(c2ccc(OC)cc2)C(=O)/C1=C/c1ccc(Cl)cc1 1106903 CYPPMNATRYUAND-BOPFTXTBSA-N 416.886 3.496 0 40 HGAB Cc1ccc2c(c1)NC(=O)C[C@@H]1CCN(S(=O)(=O)c3ccccc3)C[C@@H]1CCO2 1534646185 DBFJOPMPMBDTKD-ROUUACIJSA-N 414.527 3.433 0 40 HGAB COc1ccc2c(c1)O[C@]1(C[C@H]3CC[C@@H]1C[C@@H]3C(=O)NCc1ccc(F)cc1)NC2=O 12185290 NNELNDWZICFSLK-HEKCMURKSA-N 424.472 3.405 0 40 HGAB O=C(c1ccccc1)[C@@H]([C@H](c1ccc(Cl)cc1)N1CCOCC1)N1CCOCC1 19365988 LQPJSIJIFALWEP-FCHUYYIVSA-N 414.933 3.297 0 40 HGAB CC(C)CC(=O)N1CCO[C@](Cc2cccc(-c3cccnc3)c2)(C(=O)NC2CC2)C1 19446532 COOBJWULGMRHIB-VWLOTQADSA-N 421.541 3.213 0 40 HGAB Cc1cc(C(F)(F)F)n2nc([C@@H]3CCN(C(=O)CCn4nc(C)cc4C)C3)cc2n1 19573814 GAOBAHMHSGMECV-OAHLLOKOSA-N 420.439 3.276 0 40 HGAB Cc1c(CN2Cc3cn(C)nc3[C@@H](C(=O)NCc3ccccn3)C2)oc2ccccc12 19701377 DQNFLLJACCVLTJ-FQEVSTJZSA-N 415.497 3.286 0 40 HGAB COCCN1CCCC[C@@H](C2CCN(Cc3ccc(-n4cccn4)cc3)CC2)C1=O 19744136 OBTRAXGHBBUBLL-QHCPKHFHSA-N 410.562 3.359 0 40 HGAB COc1cc(C(C)=O)ccc1OC[C@@H](O)CN1CCN(c2ccccc2Cl)CC1 19999750 CASNFPCMRCCCCV-SFHVURJKSA-N 418.921 3.113 0 40 HGAB COCCn1c(SCC(=O)Nc2cc(C)cc(C)c2)nc2c(c1=O)S[C@@H](C)C2 4108030 CDGQLMFLEAAJFL-AWEZNQCLSA-N 419.572 3.274 0 40 HGAB O=C(CC1CC1)N1CCCCC2(CO)CCN(CC2)C(=O)c2ccccc2OCC1 643575611 SAFGVRDKTBHTIM-UHFFFAOYSA-N 414.546 3.093 0 40 HGAB CCN(CCO)C(=O)CN1CCCCCCCCN(C(C)=O)c2ccccc2C1 643575954 TVZBWAQSXBSKKD-UHFFFAOYSA-N 403.567 3.037 0 40 HGAB COc1ccc(O[C@@H](C)C(=O)Nc2cccc(S(=O)(=O)NC(C)(C)C)c2)cc1 11357482 BIJXHRQMDGKZEW-AWEZNQCLSA-N 406.504 3.178 0 40 HGAB CN1CCN(C(=O)COc2ccccc2)[C@H](Cc2ccc(-c3ccncc3)cc2)C1=O 1848351825 SZGMSMZAQOSVEZ-HSZRJFAPSA-N 415.493 3.039 0 40 HGAB O=S(=O)(NC[C@H](c1ccsc1)N1CCCCCC1)c1ccc2c(c1)OCCO2 8901322 PSJRKSMQNVCDFI-GOSISDBHSA-N 422.572 3.415 0 40 HGAB CS(=O)(=O)c1cccc(C(=O)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)c1 9712719 UCYSACSQODXCPH-UHFFFAOYSA-N 416.480 3.237 0 40 HGAB Cc1ccc(N2CCn3c2nc2c3c(=O)n(Cc3ccccc3C)c(=O)n2C)c(C)c1 10104794 MDMQWDFJRGYLLT-UHFFFAOYSA-N 415.497 3.022 0 40 HGAB COc1ccc(CNC(=O)C(=O)Nc2c3c(nn2-c2ccc(C)cc2)CSC3)cc1 10220911 NBSXSARBAFETGP-UHFFFAOYSA-N 422.510 3.191 0 40 HGAB Cc1ccc(OC[C@H]2CO[C@@H]3CN(C(=O)c4cnc(Cl)cc4Cl)C[C@@H]32)cn1 2055713254 NRWGNBXRGOGUBJ-XGWLTEMNSA-N 408.285 3.258 0 40 HGAB CC(=O)Nc1ccc(NC(=O)C[C@@H]2CCCCN2S(=O)(=O)c2cccs2)cc1 22732544 BMEPDWYWVXXMIR-KRWDZBQOSA-N 421.544 3.279 0 40 HGAB COc1ccc(OC[C@@H](O)Cn2c(=N)n(Cc3ccccc3)c3ccccc32)cc1 20130511 KOEKRBDEZZOVBZ-IBGZPJMESA-N 403.482 3.419 0 40 HGAB COc1ccc(OC)c([C@H]2c3[nH]cnc3CCN2C(=O)Nc2cccc(C(=O)O)c2)c1 40310305 NFGXGGZEZBHTBW-FQEVSTJZSA-N 422.441 3.305 0 40 HGAB biogenic O=c1c(CN2CCCCCC2)coc(O)c1CN1CCN(c2ccc(F)cc2)CC1 101374840 YQYAKMILGLOYBQ-UHFFFAOYSA-N 415.509 3.183 0 40 HGAB CCN(CC)Cc1ccccc1CNC(=O)COc1cccc(N2CCCC2=O)c1 32772636 NSYAEUWPMPYHQL-UHFFFAOYSA-N 409.530 3.350 0 40 HGAB Cc1cccc2cc(CN(Cc3ccco3)C(=S)NC[C@@H]3CCCO3)c(=O)[nH]c12 1224272 FGPLSDYOWWIYKS-SFHVURJKSA-N 411.527 3.485 0 40 HGAB Cc1cc2occ(CC(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)c2cc1C 32990940 OJJFDIQMFIHHQK-UHFFFAOYSA-N 412.511 3.125 0 40 HGAB CCOc1ccc(NC(=O)c2sc(C)nc2C)cc1S(=O)(=O)N1CCCC1 32988731 NVQCTVMXCNSIIP-UHFFFAOYSA-N 409.533 3.195 0 40 HGAB COc1ccc(-c2nc(Cn3nnc(C(=O)Nc4ccc(F)cc4)c3N)c(C)o2)cc1 33291734 SCHALKNAIYFZJT-UHFFFAOYSA-N 422.420 3.272 0 40 HGAB C[C@@H](NCc1ccccc1CN1CCOCC1)C(=O)Nc1ccccc1OC(F)F 22025097 TZMVYBVXWZDFQZ-MRXNPFEDSA-N 419.472 3.237 0 40 HGAB COC(=O)c1ccc(NC(=S)N2CCC(NC(=O)c3ccc(F)cc3)CC2)cc1 4857669 IXRJTDJGTXSQER-UHFFFAOYSA-N 415.490 3.204 0 40 HGAB NC(=O)c1ccc(NC(=O)COC(=O)c2ccc3noc(-c4ccccc4)c3c2)cc1 7719071 ZMCXOMFGBDNLGG-UHFFFAOYSA-N 415.405 3.389 0 40 HGAB O=C(O)c1ccccc1C(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 670533 ZLWGFIMIOUGQOG-UHFFFAOYSA-N 402.472 3.202 0 40 HGAB COc1cc(OC)c2cc(C(=O)N3CCC[C@@H](c4nnc5ccccn45)C3)n(C)c2c1 12324999 MSSIDBJUZQVRJJ-OAHLLOKOSA-N 419.485 3.258 0 40 HGAB O=C(CCn1cnc2ccc(Br)cc2c1=O)NCCc1ccc(F)cc1 23042818 BMBBWZSMGQSWLB-UHFFFAOYSA-N 418.266 3.047 0 40 HGAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1nc(N2CCOCC2)ncc1Cl 42127778 CDTREYDXAJAVNE-UHFFFAOYSA-N 412.881 3.021 0 40 HGAB C[C@@H](OC(=O)c1ccc(S(=O)(=O)C(F)F)cc1)C(=O)N1CCCc2ccccc21 9788338 KQNPGLWEABYASN-CYBMUJFWSA-N 423.437 3.208 0 40 HGAB CC(C)(C)c1ccc(S(=O)(=O)NCc2ccc(CN3CCOCC3)cc2)cc1 22357568 CQNYZBWAHKYVCB-UHFFFAOYSA-N 402.560 3.295 0 40 HGAB CCn1c(SCC(=O)N[C@H]2CCN(Cc3ccccc3)C2)nnc1-c1ccco1 24762593 OGIXFFLAHYLXLM-KRWDZBQOSA-N 411.531 3.041 0 40 HGAB O=C(OC[C@@H]1CN(Cc2ccccc2)CCO1)C(O)(c1ccccc1)c1ccccc1 25572621 VFWVJXBMQLDVMK-DEOSSOPVSA-N 417.505 3.367 0 40 HGAB COc1ccc(C(=O)NCCCOC(C)C)cc1S(=O)(=O)Nc1ccc(C)cc1 12604593 QYGSRPWQRZFSKV-UHFFFAOYSA-N 420.531 3.349 0 40 HGAB C[C@H](CCc1ccccc1)NC(=O)c1ccc(CS(=O)(=O)N2CCCC2)cc1 20104781 SSMNILQOWVPIOU-GOSISDBHSA-N 400.544 3.363 0 40 HGAB CN(Cc1nc2ccccc2[nH]1)C(=O)[C@H]1CS[C@@]2(c3ccccc3)CCC(=O)N12 58004260 SIESYARRZUPILH-XMSQKQJNSA-N 406.511 3.112 0 40 HGAB COc1ccc(CN(Cc2ccco2)S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1 2224552 PGQYRMZYIBWSAT-UHFFFAOYSA-N 414.439 3.114 0 40 HGAB O=C(CN(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1)Nc1ccc(Cl)cc1Cl 10833955 ZCFYVTOGSQXXOD-CYBMUJFWSA-N 417.314 3.214 0 40 HGAB C[C@@H]1CN(C(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccc(Cl)cc2)C[C@@H](C)O1 36674141 SZCCXEXIHXCIBJ-JXXFODFXSA-N 400.906 3.317 0 40 HGAB CCCC[C@H](NC(=O)COc1ccc2c3c(c(=O)oc2c1C)CCCC3)C(=O)O 2419275 UGQNKKSFSAAQPD-KRWDZBQOSA-N 401.459 3.119 0 40 HGAB COc1cc2c(c3oc(=O)c(CC(=O)NC[C@H]4CCCO4)c(C)c13)CCC(C)(C)O2 12899020 XGQWNEBECMZOTN-CQSZACIVSA-N 415.486 3.051 0 40 HGAB biogenic Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3c4ccccc4C[C@H]3C)C2)s1 12904608 ZQGHTKPMXGTPDN-RHSMWYFYSA-N 404.557 3.435 0 40 HGAB COc1ccc(NC(=O)CCN2C(=O)c3ccc(Br)cc3C2=O)cc1 12928794 FAVGSQAJHSEFTF-UHFFFAOYSA-N 403.232 3.083 0 40 HGAB CN(Cc1ccc(C(=O)NC2CC2)cc1)C(=O)CNC(=O)c1ccc2ccccc2c1 26126221 UKJABEDLXYUSRE-UHFFFAOYSA-N 415.493 3.120 0 40 HGAB CCOC(=O)c1cnn(-c2cc(Oc3cccc(OC(F)(F)F)c3)ncn2)c1N 8715334 KJUICPYDQCZVMR-UHFFFAOYSA-N 409.324 3.112 0 40 HGAB Cc1ccc(N2C(=O)[C@H]3ON=C(c4ccc(F)cc4)[C@@H]3C2=O)c(Br)c1 18212386 JFBRZAOPWSNAJU-HOCLYGCPSA-N 403.207 3.189 0 40 HGAB CC(=O)Nc1ccc(NC(=O)[C@H](C)Sc2nnnn2-c2ccc(Cl)cc2)cc1 5014388 JSPWMJAYSNRELZ-NSHDSACASA-N 416.894 3.393 0 40 HGAB O=c1c(-c2ccccc2)coc2c3c(ccc12)OCN(CCCN1CCOCC1)C3 13723410 XVKKEKUAQUMNAL-UHFFFAOYSA-N 406.482 3.334 0 40 HGAB biogenic COc1ccccc1C[C@]1(C)NC(=O)N(CC(=O)C23CC4CC(CC(C4)C2)C3)C1=O 5222754 HVBGAYBGRYSPFQ-RGHJJJJLSA-N 410.514 3.334 0 40 HGAB O=C(Nc1ccccc1C(=O)NCC1(N2CCOCC2)CCCCC1)c1ccco1 14129298 DXWFKPXSAAPESG-UHFFFAOYSA-N 411.502 3.297 0 40 HGAB CCC[C@H](C)NC(=O)COC(=O)[C@H](NC(=O)Cc1cccc2ccccc12)C(C)C 14240994 IVFYEKWFFCDJHL-GAJHUEQPSA-N 412.530 3.371 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccc2c(c1)OCO2 5455577 PBTGQEUOORXXLP-UHFFFAOYSA-N 402.472 3.151 0 40 HGAB CC(C)c1ccccc1NC(=O)c1ccc(CS(=O)(=O)N2CCOCC2)cc1 20035201 HHFYWOMUPZHKTL-UHFFFAOYSA-N 402.516 3.224 0 40 HGAB C[C@@H](c1ccccc1)N1CCN(C(=O)CSc2nnc(C3CC3)n2C2CC2)CC1 24013988 DSQMJYHJFBERQC-INIZCTEOSA-N 411.575 3.488 0 40 HGAB CC(C)C(=O)N1CCN(c2ccccc2NC(=O)c2ccc3nsnc3c2)CC1 6671613 GDNDORFGLYFRHR-UHFFFAOYSA-N 409.515 3.248 0 40 HGAB COc1ccc2nc(S[C@H](C)C(=O)Nc3sc4c(c3C(N)=O)CCC4)[nH]c2c1 7096728 XCHYZMUBNAHFGN-SECBINFHSA-N 416.528 3.340 0 40 HGAB CCOC(=O)N1CCN(C(=O)c2ccc(CN3CCc4ccccc4C3)cc2)CC1 19530611 KFKSNAFAOIGHOI-UHFFFAOYSA-N 407.514 3.159 0 40 HGAB CN1C(=O)S/C(=C/c2cc(Br)c(I)o2)C1=O 9260945 SCEBMSLPJARIIL-ZZXKWVIFSA-N 414.018 3.313 0 40 HGAB O=C(CSc1nncn1-c1ccccc1)Nc1cc(Cl)ccc1-n1cncn1 8189792 DSZFGOXDZHUASM-UHFFFAOYSA-N 411.878 3.232 0 40 HGAB COCCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(OCc2ccccc2)cc1 16728953 UQCAPQPKSVNBJP-FQEVSTJZSA-N 412.511 3.248 0 40 HGAB CCCCN(C)c1ccc(C(=O)N[C@@H](CC(C)C)C(=O)N2CCC(CO)CC2)cc1 95444542 JDCHMVKBWBIKNZ-QFIPXVFZSA-N 417.594 3.298 0 40 HGAB O=C(CNc1cccc2c1CN(c1nccs1)C2)NC(=O)NCc1ccccc1 89836502 XLWYOXAFZVCEIL-UHFFFAOYSA-N 407.499 3.101 0 40 HGAB O=C(COC(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1)Nc1cccc(C(F)(F)F)c1 21131390 KOVOLEYUARBLHN-GFCCVEGCSA-N 424.350 3.379 0 40 HGAB COc1c(F)c(F)c(C(=O)NC(=S)Nc2cccc(C(=O)O)c2)c(F)c1F 408624174 BJSUHCQKZBNFKP-UHFFFAOYSA-N 402.325 3.077 0 40 HGAB CCOC(=O)c1sc(N(Cc2ccccc2)C(=O)COC(=O)[C@H]2C[C@@H]2C)nc1C 23514813 QDGWGYDAENGDOE-BBRMVZONSA-N 416.499 3.361 0 40 HGAB COc1ccc(NC(=O)c2ccc(F)cc2Br)cc1-n1nnnc1C 60365459 JZHIUAGJJPPJDF-UHFFFAOYSA-N 406.215 3.133 0 40 HGAB Cc1ccc([C@@H](C)NC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(C)ccc3O2)c(C)c1 44935075 JRCVXYOWOQXHPI-UZLBHIALSA-N 402.516 3.016 0 40 HGAB COc1ccc(-c2nnc(CN(C)C(=O)COc3ccccc3Cl)o2)cc1OC 408714246 MBMMPXHVZVBNNH-UHFFFAOYSA-N 417.849 3.445 0 40 HGAB COc1ccc(-c2nn3c(=O)cc(CNC(=O)Nc4cccc(C)c4)nc3s2)cc1 32996098 AMGGBSHFZLSNRE-UHFFFAOYSA-N 421.482 3.457 0 40 HGAB CC(C)CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1 408592387 KDJYMUGYXGPLKH-KRWDZBQOSA-N 404.532 3.047 0 40 HGAB CCCN(Cc1ccc(C)cc1)C(=O)NCC1(N2CCOCC2)CC(OCC)C1 522058897 RFQDLJRBRYCQDX-UHFFFAOYSA-N 403.567 3.187 0 40 HGAB CCOC(=O)COc1ccc(CCNC(=O)N2CCC[C@H]2c2c(C)n[nH]c2C)cc1 538212958 DRGPAIYSIIWIFO-IBGZPJMESA-N 414.506 3.058 0 40 HGAB CNC(=O)[C@]1(Cc2ccccc2-c2ccccc2)CCN(C(=O)c2c[nH]nc2C)C1 72391059 GFRKUESEDDOMSD-DEOSSOPVSA-N 402.498 3.206 0 40 HGAB COc1cccc(-n2ccn3c(SCC(=O)c4ccc(F)cc4)nnc3c2=O)c1 64593620 QLKXVAMENVNUPZ-UHFFFAOYSA-N 410.430 3.003 0 40 HGAB COC(=O)c1c(CCc2c(-c3ccccc3)nc(N(C)C)oc2=O)cccc1OC 35973605 DMOLCSIUHOKFQN-UHFFFAOYSA-N 408.454 3.348 0 40 HGAB Cc1[nH]c2cccc(C(=O)N3CCC([C@H]4CCCCN4S(C)(=O)=O)CC3)c2c1C 72354291 YYCPURMXCWVPKA-HXUWFJFHSA-N 417.575 3.451 0 40 HGAB O=c1c(Cl)c(NCCOc2ccc3c(c2)OCO3)cnn1-c1ccc(F)cc1F 71955211 DBKDGRROOOHSOR-UHFFFAOYSA-N 421.787 3.384 0 40 HGAB Cc1cccc(N(C)C(=O)COC(=O)c2ccccc2I)c1 72329996 FJHLWJGEHWQSCN-UHFFFAOYSA-N 409.223 3.419 0 40 HGAB CN(C)[C@@H](CNC(=O)[C@H]1CCCN(C(=O)c2ccoc2)C1)c1ccccc1Cl 43728863 NQXFGMRKTUGEPS-KXBFYZLASA-N 403.910 3.204 0 40 HGAB CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(OC)c(OC)c1 222805414 QQKXNMVBGBBXTK-HNNXBMFYSA-N 418.921 3.453 0 40 HGAB CC[C@H](C)NS(=O)(=O)c1ccc(OCC(=O)N2c3ccccc3C[C@H]2C)cc1 222658889 KUOFLCPACICYRV-JKSUJKDBSA-N 402.516 3.120 0 40 HGAB COc1cccc(N(C)C(=O)C2CCN(S(=O)(=O)c3cc(C)ccc3C)CC2)c1 225924896 ORKIPASHTAQVBS-UHFFFAOYSA-N 416.543 3.376 0 40 HGAB COc1ccc(N2C[C@@H](C(=O)N[C@H](c3nc4ccccc4[nH]3)C(C)C)CC2=O)cc1 44668975 ASJWYVMIZBEFHV-BTYIYWSLSA-N 406.486 3.438 0 40 HGAB COc1ccc([C@@H](C)NC(=O)C[C@@H](NS(C)(=O)=O)c2ccc(Cl)cc2)cc1 225949432 NZWOSSAULVVHEY-FZKQIMNGSA-N 410.923 3.206 0 40 HGAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-c1cccnc1 223258241 ULYZDXXEGJGLPX-YADHBBJMSA-N 420.586 3.418 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC(C)CC3)CC2)cc1Cl 47081017 NKPAXYBQCUYETQ-UHFFFAOYSA-N 414.955 3.008 0 40 HGAB CSc1ccc(S(=O)(=O)NCCN(C)c2ccccc2)cc1NC(=O)C(C)C 225737514 LREYCVVJIFLGFI-UHFFFAOYSA-N 421.588 3.418 0 40 HGAB COc1cc(F)ccc1-c1ccc(=O)n(CC(=O)N[C@@H](C)CCc2ccccc2)n1 44922025 QOWBWKJQMRTUCB-INIZCTEOSA-N 409.461 3.196 0 40 HGAB COc1ccccc1[C@H](C)NC(=O)c1ccc(CS(=O)(=O)N2CCCC2)cc1 225756834 YAMBGKNUSDRHOS-INIZCTEOSA-N 402.516 3.112 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)Nc1cccc(F)c1 225341898 SFZPLZQWHYIMAP-UHFFFAOYSA-N 406.479 3.190 0 40 HGAB COc1ccc(N(C)C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)cc1 226077140 ZYBMAZQIFXIJMC-KRWDZBQOSA-N 402.516 3.067 0 40 HGAB CCOc1ccccc1CNC(=O)[C@@H](C)N(c1ccc(CC)cc1)S(C)(=O)=O 220287247 XBXBNECWLWDOLS-MRXNPFEDSA-N 404.532 3.119 0 40 HGAB CCN1CC2(CCN(C(=O)CCC(C)C)CC2)COc2ccccc2S1(=O)=O 96145124 HSDULFMPOBWRTP-UHFFFAOYSA-N 408.564 3.135 0 40 HGAB CN1CC[C@@]2(C(=O)N3CCCC3)CCN(C(=O)Nc3ccc(Cl)cc3)CC[C@@H]12 96263630 BKNOGZBPSITGQG-WIYYLYMNSA-N 404.942 3.281 0 40 HGAB CC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3N(C(=O)c1cnc(C)cn1)[C@H]2Cc1ccccc1 257286026 PJWRMZDEDPXXFW-WHGMEAMLSA-N 418.541 3.400 0 40 HGAB COc1cc2c(N3CCC[C@@H]4[C@H](NC(=O)C(F)F)C(C)(C)[C@@H]43)ncnc2cc1F 585137900 ZJAJDTJEDNYDRU-HPEXNQPKSA-N 408.424 3.152 0 40 HGAB CS(=O)(=O)Cc1ccc(C(=O)Nc2ccn(-c3cccc(C(F)(F)F)c3)n2)o1 542154783 MTARCEHGFPKPNW-UHFFFAOYSA-N 413.377 3.281 0 40 HGAB COc1ccc(C2(CNC(=O)[C@H]3CCCCN3Cc3cccnc3)CCOCC2)cc1 1116025642 ONPOTXOEPSGXCS-HSZRJFAPSA-N 423.557 3.309 0 40 HGAB CC(C)Oc1cncc(C(=O)N2CCNC(=O)[C@@H]2c2ccc(C(F)(F)F)cc2)c1 677621890 XFNQJKIMZLMBMT-KRWDZBQOSA-N 407.392 3.201 0 40 HGAB CCOc1cc2c(cc1/C=C1/SC(=O)N(CC(=O)OC(C)(C)C)C1=O)OCO2 5007715 AVBIPYKFLJMWHP-VIZOYTHASA-N 407.444 3.192 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)N1CCc2ccccc21 13596241 IRXOCYQTJGVPKT-UHFFFAOYSA-N 400.500 3.073 0 40 HGAB CCCN(Cc1nnc(-c2ccco2)o1)C(=O)c1nn(CC)c(=O)c2ccccc12 14574132 DJVWQUXZBMEGLA-UHFFFAOYSA-N 407.430 3.112 0 40 HGAB Cc1cc2nc(COC(=O)c3cccc(NC(=O)c4ccc(F)cc4)c3)cc(=O)n2o1 15772225 ZDQOMAFHSVXTQX-UHFFFAOYSA-N 421.384 3.344 0 40 HGAB COc1ccccc1CCC(=O)N1C[C@@H](c2cccnc2)[C@@]2(CCCCC(=O)N2)C1 19569909 WUNNSRVRZWYYDF-GBXCKJPGSA-N 407.514 3.078 0 40 HGAB Cc1nn(C)cc1CN1CCC(C[C@H]2CC(c3ccc(F)cc3)=NO2)(C(=O)O)CC1 19583752 PNXYNQUPEJGCLY-LJQANCHMSA-N 414.481 3.118 0 40 HGAB Cc1nc(C)n(CC(=O)N2CCO[C@H](c3ccc(-c4cccc(Cl)c4)cn3)C2)n1 19692521 AEKLBSPSJFTSAX-FQEVSTJZSA-N 411.893 3.210 0 40 HGAB CC(=O)N1CCC[C@@H]1c1nc(CN(C)Cc2ccnc3ccccc23)cc(N(C)C)n1 19709846 IPQGKCPYAVNPPG-JOCHJYFZSA-N 418.545 3.406 0 40 HGAB COc1ccc([C@@H]2CN(C(=O)c3ccccc3F)C[C@H]2c2cc(=O)[nH]c(C)n2)cc1 19285490 SKQOBEXTQVVSJA-RBUKOAKNSA-N 407.445 3.249 0 40 HGAB O=C(NCCNC(=O)c1ccc(Cl)c(Cl)c1)Nc1nnc(C2CC2)s1 36395804 ANFPYOHKNIFPOH-UHFFFAOYSA-N 400.291 3.274 0 40 HGAB O=C1COc2ccc(S(=O)(=O)NCC3(c4ccccc4)CCCCC3)cc2N1 26979140 PBRKQRHMIBAWMQ-UHFFFAOYSA-N 400.500 3.198 0 40 HGAB O=C(CN1C(=O)c2ccccc2S1(=O)=O)Nc1ccc(Nc2ccccc2)cc1 4330256 PLPGVXWRAMYKBV-UHFFFAOYSA-N 407.451 3.213 0 40 HGAB Cc1ccc(N2C(=O)N(c3cccc(Br)c3)[C@@H]3CS(=O)(=O)C[C@H]32)cc1 8768097 AYTKOZVGSFIUCA-IAGOWNOFSA-N 421.316 3.370 0 40 HGAB CCn1cc(C(=O)NCc2cccc(OC)c2)c2nn(-c3ccccc3)c(=O)c-2c1 9661478 MLIALMQNGJAPTR-UHFFFAOYSA-N 402.454 3.097 0 40 HGAB CCOC(=O)c1nn(-c2ccc(C)cc2)c(=O)cc1N1CCN(c2ccccc2)CC1 9827965 KJJNXFDPDCMLIP-UHFFFAOYSA-N 418.497 3.044 0 40 HGAB CCCN1CCCc2cc(CCNS(=O)(=O)c3ccc4c(c3)OCCO4)ccc21 35588126 QFJJFVVWRLLQIT-UHFFFAOYSA-N 416.543 3.141 0 40 HGAB COc1ccccc1C(=O)N1CCC[C@@H](c2nnc(-c3ccc4c(c3)OCO4)o2)C1 35596918 SLFCXABFOPHFHZ-OAHLLOKOSA-N 407.426 3.494 0 40 HGAB CCOC(=O)[C@@H]1CCCN([C@@H](c2ccccc2F)c2sc3nc(C)nn3c2O)C1 36066080 VCNFHAROFXRDBR-CJNGLKHVSA-N 418.494 3.308 0 40 HGAB O=C(NCC1CCN(CC(F)(F)F)CC1)C(=O)Nc1ccccc1C(F)(F)F 445165885 LZTWLQCCYOWYNE-UHFFFAOYSA-N 411.346 3.034 0 40 HGAB CCOC(=O)N1CCN(C(=O)c2nc(-c3ccccc3)n(-c3ccc(C)cc3)n2)CC1 8782931 AEQUQWNLYHRUOY-UHFFFAOYSA-N 419.485 3.157 0 40 HGAB CC(=O)Nc1ccc2c([C@H](C(=O)O)N3CCN(Cc4cccs4)CC3)c[nH]c2c1 32100992 JMOGKWYWHLJJKL-HXUWFJFHSA-N 412.515 3.131 0 40 HGAB CC(C)C[C@H](C(=O)Nc1ccc2oc(=O)ccc2c1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 101813282 XCABACVEJLDWJS-OKZBNKHCSA-N 408.454 3.097 0 40 HGAB COc1cccc(C(=O)Nc2nc3ccc(S(=O)(=O)N4CCCC4)cc3s2)c1 646715 ILJHMNXTIKDCAZ-UHFFFAOYSA-N 417.512 3.342 0 40 HGAB C[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)NCc1ccc(Cl)cc1Cl 667719 QVGVVVKTDBIRIK-JTQLQIEISA-N 405.278 3.116 0 40 HGAB COc1cc([C@@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)O)c3N2)cc(OC)c1OC 718647 KWYRCMJZJUBVFA-GXFFZTMASA-N 401.341 3.267 0 40 HGAB O=C1CS[C@@]2(C(=O)Nc3ccccc32)N1c1ccc(I)cc1 1240133 MRQQVEMEOZBBNT-INIZCTEOSA-N 422.247 3.176 0 40 HGAB O=C(Cn1nc(-c2ccccc2)c2ccccc2c1=O)N1CCN(c2ccccc2)CC1 2209949 PYUYPESCQCMFBT-UHFFFAOYSA-N 424.504 3.412 0 40 HGAB CCOC(=O)[C@](Nc1ccc(F)cc1)(NS(=O)(=O)c1ccccc1)C(F)(F)F 2217924 OGTLZIZSVZHIES-INIZCTEOSA-N 420.384 3.038 0 40 HGAB O=C(C[C@@H]1SC(N2CCOCC2)=NC1=O)Nc1ccc(Cl)c(C(F)(F)F)c1 2646386 PMKGAQLHYBADKF-LBPRGKRZSA-N 421.828 3.018 0 40 HGAB Cc1ccccc1NC(=O)Cc1nc(COC(=O)CNC(=O)c2ccccc2)cs1 3196028 WAYRJPAQPSNVOC-UHFFFAOYSA-N 423.494 3.106 0 40 HGAB O=C(OCC(=O)N1CCCc2ccccc21)c1ccc(I)cc1 3241239 SKEXXZRTELDNDA-UHFFFAOYSA-N 421.234 3.427 0 40 HGAB COC(=O)c1ccc(CNC(=O)COC(=O)CCSc2ccccc2Cl)cc1 3266934 CXZSBWIANXEPIF-UHFFFAOYSA-N 421.902 3.468 0 40 HGAB O=C(CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O)Nc1ccc(Cl)cc1F 3300479 VHMJARBWTVHASV-QGZVFWFLSA-N 414.824 3.062 0 40 HGAB COCCNC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1F 3469635 ZSGKKZHDNXEFNA-UHFFFAOYSA-N 404.442 3.067 0 40 HGAB COc1ccc(NC(=O)CSc2nc3sc(C)cc3c(=O)n2C)c(OC)c1 5017133 GQUPQXNHETWWCE-UHFFFAOYSA-N 405.501 3.051 0 40 HGAB Cc1cc(I)cnc1NC(=S)NC(=O)Cc1ccccc1 6572507 KEOJZUWWLCMFQS-UHFFFAOYSA-N 411.268 3.050 0 40 HGAB CCOc1cc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCCOC)ccc1O 6752841 WYVRFJILRHNYBE-JOCHJYFZSA-N 423.469 3.468 0 40 HGAB CCOC(=O)c1sc(NC(=O)CCc2cc(OC)c(OC)c(OC)c2)nc1C 6933179 WTXITELERXUBBN-UHFFFAOYSA-N 408.476 3.225 0 40 HGAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)Sc1ccc(S(=O)(=O)N(C)C)cn1 7181916 NAGHPFXWUPXMSH-ZDUSSCGKSA-N 403.529 3.485 0 40 HGAB O=C(Nc1cccc(CO)c1)C1CCN(C(=O)c2ccc(Br)cc2)CC1 8032082 RVFTXPWAKQIUKX-UHFFFAOYSA-N 417.303 3.432 0 40 HGAB Cc1cccc(N2C[C@H](C(=O)OCC(=O)Nc3cc(Cl)ccc3C)CC2=O)c1 8037244 WKAHBWKUPFUWED-OAHLLOKOSA-N 400.862 3.492 0 40 HGAB C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)c3cc4ccccc4o3)cc2)C[C@H](C)O1 8156404 PXICMEYWFQOIIX-GJZGRUSLSA-N 414.483 3.483 0 40 HGAB Cc1nn(-c2ccccc2)c(C)c1CN(C)CC(=O)NC(=O)Nc1ccccc1F 8311638 SYMWCZNBAPUKJH-UHFFFAOYSA-N 409.465 3.408 0 40 HGAB Cc1ccc(S(=O)(=O)CCC(=O)OCC(=O)N2C[C@@]3(C)C[C@@H]2CC(C)(C)C3)cc1 8340880 YPBLTGRQNYJRRV-JTSKRJEESA-N 421.559 3.129 0 40 HGAB C[C@H]1Cc2ccccc2N1C(=O)CN1C(=O)N[C@]2(CCCCc3ccccc32)C1=O 8703859 IKVBSKCCMNFRBM-FYSMJZIKSA-N 403.482 3.138 0 40 HGAB COCCNC(=O)Cc1ccc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1 8720241 KNYDMXZPNGOHAL-UHFFFAOYSA-N 417.314 3.099 0 40 HGAB COc1ccc2nc(NC(=O)[C@H](NS(=O)(=O)c3ccccc3)C(C)C)sc2c1 9218632 HURRLSNEYCYFBB-QGZVFWFLSA-N 419.528 3.247 0 40 HGAB CCOC(=O)c1c(NC(=O)CNc2ccccc2SC)sc(C(N)=O)c1C 9368277 ORSDACOFEADDSC-UHFFFAOYSA-N 407.517 3.105 0 40 HGAB O=C(CCC(=O)c1ccc2c(c1)OCCCO2)Nc1ccc(N2CCOCC2)cc1 9617042 FXPFJJZBLOSMLS-UHFFFAOYSA-N 410.470 3.286 0 40 HGAB CN(CCCNC(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CCC3)c1ccccc1 9912362 RHAIEXBKFVCHCD-UHFFFAOYSA-N 410.543 3.049 0 40 HGAB COc1ccccc1N1C(=O)c2ccc(C(=O)Nc3ccc4c(c3)OCO4)cc2C1=O 9986329 ZVCPXHYEBBCKHK-UHFFFAOYSA-N 416.389 3.477 0 40 HGAB COc1ccc2c(c1)O[C@@]1(C[C@H]3CC[C@@H]1C[C@@H]3C(=O)NCc1cccc(F)c1)NC2=O 12185323 WBJQPRCVNUJKNR-QQIMEZCUSA-N 424.472 3.405 0 40 HGAB NC1=Nc2nc3cc4c(cc3n2[C@H](c2ccccc2OC(F)(F)F)N1)OCCCO4 12507679 JWXQLRIPTVYRIY-MRXNPFEDSA-N 419.363 3.193 0 40 HGAB OC[C@H]1CCCN(c2ncc(-c3ccnc(N4CCCC4)n3)c(-c3ccco3)n2)C1 12666776 UZLMBTRODJISSX-INIZCTEOSA-N 406.490 3.003 0 40 HGAB Cc1cc(S(N)(=O)=O)cc(NC(=O)CCc2ncc(-c3ccccc3F)o2)c1C 12763951 JNHQHEXBMABJBA-UHFFFAOYSA-N 417.462 3.316 0 40 HGAB O=C(/C=C/c1cccc(Br)c1)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 12865364 YMSYRDHGIHQDAV-IJDCCNJMSA-N 412.349 3.421 0 40 HGAB COc1ccc(CCC(=O)Nc2cc(C(C)(C)C)nn2[C@H]2CCS(=O)(=O)C2)cc1 12890932 XDMMNZHCVVNFNV-INIZCTEOSA-N 419.547 3.120 0 40 HGAB CC(=O)N[C@@H](CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)c1ccc(C)cc1 12989963 ILLINZAHNDHDIH-QFIPXVFZSA-N 407.514 3.440 0 40 HGAB CC[C@@H](C(=O)NCCSc1ccc(C)cc1)N(c1ccccc1)S(C)(=O)=O 13711155 REJZSEUTQIYSSP-IBGZPJMESA-N 406.573 3.448 0 40 HGAB COc1ccc2[nH]c(C(=O)NCC(=O)Nc3nc4ccccc4s3)cc2c1OC 13725684 ULNZIKLBWIIMSH-UHFFFAOYSA-N 410.455 3.163 0 40 HGAB O=C(NCCCn1ccnc1)C(=O)Nc1ccc(-c2nc3ccccc3s2)cc1 13730770 BCXCMIJKYBFIRS-UHFFFAOYSA-N 405.483 3.305 0 40 HGAB COc1cccc(NC(=O)C[C@@H]2SC(CC(=O)Nc3ccccc3C)=NC2=O)c1 15525453 VIMJJFPCCGAUSI-KRWDZBQOSA-N 411.483 3.402 0 40 HGAB COc1cc([C@H]2[C@@H]3CCCC[C@@]3(O)CCN2CC(=O)NCc2ccccc2)ccc1O 16043057 VRIZZBHMPMVZAN-KSNOWIBYSA-N 424.541 3.385 0 40 HGAB biogenic CC(=O)c1cc(C(=O)N2CCC(c3cc(C(F)(F)F)n4ncnc4n3)CC2)cs1 19023115 QGKOKODSRYURGV-UHFFFAOYSA-N 423.420 3.427 0 40 HGAB CCC[C@]1(C(=O)OCC)N[C@@H](c2cccs2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 19502081 VBMTZEQWPXOMBR-ORGXJRBJSA-N 412.511 3.300 0 40 HGAB Cc1cnccc1-c1c[nH]nc1[C@@H]1CCCCN1C(=O)c1c(C)cc(C)n(C)c1=O 19572174 UAAZXQKFTMJVKU-IBGZPJMESA-N 405.502 3.463 0 40 HGAB COc1ccc([C@@H](c2nnnn2C(C)(C)C)N2CCN(Cc3ccccc3)CC2)cc1 20139493 XSUBQEXAMLPNPA-QFIPXVFZSA-N 420.561 3.344 0 40 HGAB CCCC(=O)Nc1nnc(SCc2cc(=O)n3nc(C(C)C)sc3n2)s1 20583327 CQYPQWKODUAJRA-UHFFFAOYSA-N 410.550 3.157 0 40 HGAB C[C@@H](Sc1nc(N)c2ccsc2n1)C(=O)N1CCN(Cc2ccccc2)CC1 22747901 VYGPEUXFUZHKOG-CQSZACIVSA-N 413.572 3.099 0 40 HGAB O=C(NCCCCN1CCO[C@H](c2ccccc2)C1)c1cc2ccccc2oc1=O 23127770 NVJXDHUXMUZDPW-QFIPXVFZSA-N 406.482 3.377 0 40 HGAB CSCc1ccc(C(=O)N2CCN(Cc3nc(N)c4ccccc4n3)CC2)cc1 24992881 AMZIZWJIOGMUCD-UHFFFAOYSA-N 407.543 3.033 0 40 HGAB Cc1csc(-c2ccc(OS(=O)(=O)c3ccc4c(c3)oc(=O)n4C)cc2)n1 28046917 GDXOEVIZKFSGGL-UHFFFAOYSA-N 402.453 3.331 0 40 HGAB COc1ccc(-n2cnc3cc(C(=O)NCc4ccccc4F)ccc3c2=O)cc1 32090743 YIWQZDUVKVRBTO-UHFFFAOYSA-N 403.413 3.463 0 40 HGAB CC(=O)N[C@@H](CC(=O)N1CCC[C@@H](c2nnc3n2CCCCC3)C1)c1ccc(C)cc1 32760568 RCBLGIOPVYSOJL-RTWAWAEBSA-N 423.561 3.286 0 40 HGAB CCc1ccc(C(=O)Nc2cc(C)ccc2C)cc1S(=O)(=O)N1CCOCC1 32796264 APPLNKATAUSKGU-UHFFFAOYSA-N 402.516 3.139 0 40 HGAB O=C(NCCc1ccc(Cl)cc1)NC[C@H](c1ccc(F)cc1)N1CCOCC1 32862838 WQSOSUIXHJLIFL-HXUWFJFHSA-N 405.901 3.394 0 40 HGAB CCOC(=O)c1ccoc1COC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCC3 32910453 BBCCTCKYISUYKW-UHFFFAOYSA-N 410.426 3.250 0 40 HGAB Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)NC3CCC(O)CC3)cc2)c1 33028128 CKMJDCIDXSSVRG-UHFFFAOYSA-N 402.516 3.138 0 40 HGAB Cc1oc(C(=O)NCCC2=CCCCC2)cc1S(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 38489340 TVAQNVKSSGHIIU-HUUCEWRRSA-N 410.536 3.006 0 40 HGAB C[C@H]1CCCN(Cc2ccccc2CNC(=O)c2ccc(CS(C)(=O)=O)cc2)C1 40107112 FSZYCOMHSFIOPK-SFHVURJKSA-N 414.571 3.393 0 40 HGAB O=C(CCC(=O)N1CCC(c2noc3ccc(F)cc23)CC1)NCc1ccncc1 40287150 YBJWRICHYRVKDL-UHFFFAOYSA-N 410.449 3.165 0 40 HGAB COc1cccc([C@@H](CNC(=O)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)N(C)C)c1 41950318 LFQWHDCOMMFZTH-PKOBYXMFSA-N 405.539 3.061 0 40 HGAB CC(=O)N1CCC(N2CCC[C@H]2c2nc(-c3ccc(-c4ccncc4)nc3)no2)CC1 49155471 SGXDSVWJUWADPH-NRFANRHFSA-N 418.501 3.341 0 40 HGAB biogenic,in-vitro C[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)N1CCN(c2ncccn2)CC1 57634914 SNSBGRFDQFHRKJ-LBPRGKRZSA-N 413.831 3.298 0 40 HGAB C[C@@H](c1nc(C2CC2)no1)S(=O)(=O)CC(=O)N(Cc1ccccc1)[C@H](C)C1CC1 58148321 SJJORITZCJIMJR-CABCVRRESA-N 417.531 3.250 0 40 HGAB C[C@@H]1CN(c2ccc(NC(=O)NC[C@@H]3COc4ccccc4O3)cc2F)C[C@@H](C)O1 58404822 LEPQKQBQYULKRX-BFYDXBDKSA-N 415.465 3.401 0 40 HGAB COC(=O)c1sccc1NC(=O)CSc1nc2ccccc2n2c(C)nnc12 64949077 LIPCQEZNEJNVHI-UHFFFAOYSA-N 413.484 3.165 0 40 HGAB Cc1ccc(CNC(=O)Cn2ncn3nc(-c4cccc5ccccc45)cc3c2=O)cc1 67208423 NIJWEXBPAJBHKB-UHFFFAOYSA-N 423.476 3.336 0 40 HGAB Cc1c(C(=O)Nc2ccc(F)c(F)c2)nnn1CC(=O)Nc1cc(F)ccc1F 71327083 BXIJXFUANMNXOR-UHFFFAOYSA-N 407.327 3.034 0 40 HGAB O=C(CCCN1CCCC1=O)NCc1cccc(-c2n[nH]cc2-c2ccncc2)c1 72344998 ZKWBCXHWEQAZNC-UHFFFAOYSA-N 403.486 3.158 0 40 HGAB CCc1nnc(Nc2cccc([C@H]3CCCN(CC(=O)N(CC)CC)C3)n2)s1 72375940 NKXRQXYLJZWYLE-HNNXBMFYSA-N 402.568 3.287 0 40 HGAB CN(C)C(=O)[C@@]1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)c2cnccn2)C1 72390570 PZFAPEYEQQGISP-RUZDIDTESA-N 414.509 3.307 0 40 HGAB C[C@H](C(=O)NC1CCN(CC2(c3ccccc3F)CCCC2)CC1)N1CCCC1=O 72393486 LAKIIKGERHQENS-GOSISDBHSA-N 415.553 3.229 0 40 HGAB C[C@@H](CC(=O)NC1CCN(CC2(c3ccccc3F)CCCC2)CC1)n1cncn1 72393491 YPGRNTCWPGYGKO-SFHVURJKSA-N 413.541 3.461 0 40 HGAB COCCOC(=O)Nc1cccc(NC(=O)NCCn2c(C)nc3ccccc32)c1 78699021 ZNXUYDOIKJBLMJ-UHFFFAOYSA-N 411.462 3.361 0 40 HGAB C[C@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)Cn1cnc2c(oc3ccccc32)c1=O 78974668 RCYLTGZDQLXSCE-ILHIWHGASA-N 423.494 3.100 0 40 HGAB COc1ccc(S(=O)(=O)Nc2ccc(F)cc2Br)cc1CC(=O)O 95459931 LUYBDMGSKPOFCI-UHFFFAOYSA-N 418.240 3.025 0 40 HGAB COc1ccc(Cc2nc(NC(=O)c3cc(-c4ccc(OC)cc4)[nH]n3)n[nH]2)cc1 95478549 FGJSFWXSBLDUCI-UHFFFAOYSA-N 404.430 3.055 0 40 HGAB Cc1c([C@@H]2SCC(=O)Nc3ncn(-c4ccc(Br)cc4)c32)cnn1C 96118243 NTDPYQAMXIOHDX-INIZCTEOSA-N 418.320 3.451 0 40 HGAB COc1ccc2c(c1)O[C@]1(C[C@@H]3CC[C@@H]1C[C@@H]3C(=O)NCCc1ccccc1)NC2=O 100181385 SCGUHDRBLOOLMO-DVFHOWMISA-N 420.509 3.309 0 40 HGAB COc1ccc(NC(C)=O)cc1N[C@@H]1CC(=O)N(Cc2ccc(Cl)cc2)C1=O 103293105 WBOQKYCRDFQLQJ-QGZVFWFLSA-N 401.850 3.047 0 40 HGAB Cc1ccc(C)c(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)c1 111882813 ZLKKYNLCRNKNBZ-OAHLLOKOSA-N 400.862 3.492 0 40 HGAB O=S(=O)(c1ccc2c(c1)CCO2)N1CCS[C@@H](c2ccc3c(c2)OCO3)CC1 219260856 SFKYWUXGPNNIKN-HXUWFJFHSA-N 419.524 3.219 0 40 HGAB Cc1cc(C(=O)NCCSCc2ccccc2F)ccc1N(C)S(C)(=O)=O 222480022 HQYMLABOMUOCQK-UHFFFAOYSA-N 410.536 3.193 0 40 HGAB COC(=O)c1cc(NC(=O)c2cccc(N3CCCCS3(=O)=O)c2)ccc1Cl 222554198 ASNDPRYOSZAKPY-UHFFFAOYSA-N 422.890 3.309 0 40 HGAB COC(=O)c1ccc(C)c(NC(=O)c2ccc(C)c(N3CCCCS3(=O)=O)c2)c1 222566909 FTVYCILHBMUPLT-UHFFFAOYSA-N 416.499 3.272 0 40 HGAB CC[C@H](C(=O)Nc1nnc(SC)s1)N(c1ccc(C)c(C)c1)S(C)(=O)=O 223196056 VIIVLEGHSWYVRE-CYBMUJFWSA-N 414.578 3.060 0 40 HGAB CCOc1ccc(-c2noc(CNS(=O)(=O)c3cc(C)c(OC)cc3C)n2)cc1 225217978 OUNJUZYXGGUEDQ-UHFFFAOYSA-N 417.487 3.239 0 40 HGAB CC1(C)CN(C(=O)c2ccccc2)C[C@@H]2CN(C(=O)c3ccc(Cl)cc3)CCN21 253398816 HOVURWKQFDMXFH-FQEVSTJZSA-N 411.933 3.401 0 40 HGAB biogenic,in-vitro O=C(CN1C[C@H]2CCC[C@H](Cc3cnccn3)[C@H]2C1)Nc1ccnn1C1CCCC1 257279645 OHNYZDACXSMYKX-DBXWQHBBSA-N 408.550 3.318 0 40 HGAB CS(=O)(=O)N(c1ccc(F)cc1)[C@H](Cc1cccc(Br)c1)C(=O)O 260677398 CREUDDYCYCLLSK-OAHLLOKOSA-N 416.268 3.050 0 40 HGAB Cc1cc2c(=O)c(-c3ccc(O[C@@H](C)C(=O)O)cc3)coc2cc1O[C@@H](C)C(=O)O 263583669 SNPKPSDVBDSFEQ-STQMWFEESA-N 412.394 3.472 0 40 HGAB CC(C)OC(=O)c1ccc(N2C[C@@H](C(=O)O[C@H](C)C(=O)c3ccccc3)CC2=O)cc1 408636638 BLALWTPMEMMWQG-APWZRJJASA-N 423.465 3.419 0 40 HGAB Cc1cc(CN(C)C(=O)[C@@H]2CCc3nnn(C)c3C2)cc(C)c1OCC(F)(F)F 580500974 GVGCTFSVJLTSSC-OAHLLOKOSA-N 410.440 3.137 0 40 HGAB COc1ccc(C(=O)N2CCC[C@@H]3NC(=O)c4ccccc4OCCC=CC[C@@H]32)cn1 1615525674 KGOVTQHQVZAAPF-PMACEKPBSA-N 421.497 3.222 0 40 HGAB CC(=O)N1C[C@H]2C3(CCN(CCc4ccccc4)CC3)CC[C@@]2(C(=O)N2CCCC2)C1 2055795967 BEFIUZZFNGDCEY-JYFHCDHNSA-N 423.601 3.192 0 40 HGAB COc1ccc(C)cc1NC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 791626 IPBDVBXPLYYKOS-UHFFFAOYSA-N 402.516 3.351 0 40 HGAB COc1cc(-c2nnc(SCC(=O)Nc3ccccc3)n2C)cc(OC)c1OC 874117 QBHQFSCHLBVUKI-UHFFFAOYSA-N 414.487 3.239 0 40 HGAB CC1=C(C(=O)Nc2cccnc2)[C@@H](c2cccc(Br)c2)n2ncnc2N1 949737 CQVBAXOYNYCWKT-MRXNPFEDSA-N 411.263 3.363 0 40 HGAB Cc1ccc(C(=O)N(CC(=O)NC2CCCC2)Cc2ccc3c(c2)OCO3)s1 1330258 UNORWYFSSJLAIH-UHFFFAOYSA-N 400.500 3.486 0 40 HGAB COCCOC(=O)c1c(C)oc2cc(Br)c(O[C@H](C)C(=O)OC)cc12 1817550 VYCBXZLFZGWTAF-SNVBAGLBSA-N 415.236 3.247 0 40 HGAB biogenic CCc1cc(=O)oc2c(C)c(O[C@H](C)C(=O)N[C@H](C(=O)O)c3ccccc3)ccc12 2093478 YJFDFURMBSVLEB-VLIAUNLRSA-N 409.438 3.373 0 40 HGAB biogenic Cc1c(Cc2ccccc2)c(=O)oc2cc(OCC(=O)N[C@H](C(=O)O)C(C)C)ccc12 2145620 BZAPQZMGZQLMTE-QFIPXVFZSA-N 423.465 3.296 0 40 HGAB biogenic CCOC(=O)[C@](NC(=O)N(C1=NC[C@@H](C)S1)c1ccccc1)(OC)C(F)(F)F 2271229 IUXUJAYDTRADHY-BZNIZROVSA-N 419.425 3.162 0 40 HGAB CC1CCN(CCCn2c(=S)[nH]c3ccc(N4CCOCC4)cc3c2=O)CC1 4004716 CNKUXSXKBIFRCY-UHFFFAOYSA-N 402.564 3.018 0 40 HGAB CCN1C(=O)[C@@H]2Cc3c([nH]c4ccccc34)[C@H](c3ccc4c(c3)OCO4)N2C1=S 4026822 XNVVWACSNFHGPK-JXFKEZNVSA-N 405.479 3.360 0 40 HGAB biogenic O=C(COc1coc(CN2CCc3ccccc3C2)cc1=O)Nc1cccc(F)c1 4583965 LINXZXWZPVPSSY-UHFFFAOYSA-N 408.429 3.355 0 40 HGAB COc1ccccc1OCc1nnc(S[C@@H](C)C(=O)Nc2nc(C)cs2)n1C 4814816 KUYVBXIHDXTLOW-LBPRGKRZSA-N 419.532 3.287 0 40 HGAB Cc1cc(C)c(NC(=O)C[S@](=O)CC(=O)N[C@@H]2CCCc3ccccc32)c(C)c1 4906762 XGGOJNUNMUWLIQ-OLILMLBXSA-N 412.555 3.493 0 40 HGAB Cc1ccc2c(c1)cc(CN(C(=S)NC[C@@H]1CCCO1)C1CCCC1)c1nnnn12 4985244 NWXKMTCWQIUVCH-IBGZPJMESA-N 424.574 3.384 0 40 HGAB COC(=O)c1ccc(NC(=O)Cn2nc(-c3ccc4ccccc4c3)ccc2=O)cc1 5398945 WRKLNRDVCIGJJV-UHFFFAOYSA-N 413.433 3.489 0 40 HGAB Cc1ccc(CNC(=O)[C@@H](NC(=O)N2CCn3c2nc2ccccc23)C(C)C)cc1 5487165 PVRQADDKJNHXCZ-FQEVSTJZSA-N 405.502 3.215 0 40 HGAB C[C@@H]1CN(S(=O)(=O)c2cccc(-c3cn4cc(Cl)ccc4n3)c2)C[C@@H](C)O1 6163803 DJAGVTKPIZTOFG-ZIAGYGMSSA-N 405.907 3.453 0 40 HGAB Cc1cc(C)cc(NC(=O)CSc2nnc(CC(=O)Nc3ccccc3)n2C)c1 6456601 CHODIUHPVUBMEB-UHFFFAOYSA-N 409.515 3.344 0 40 HGAB CN(CC(=O)NC(=O)Nc1ccccc1F)CC(=O)Nc1cccc2ccccc12 6589101 RRDMEMXFAUIKQI-UHFFFAOYSA-N 408.433 3.198 0 40 HGAB CCCCNc1nc(Oc2ccc(=O)n(-c3ccccc3)n2)nc(N(CC)CC)n1 6743481 IWHAFUGPFUVGGG-UHFFFAOYSA-N 409.494 3.268 0 40 HGAB CCc1ccc(NC(=O)Cn2c(=O)n(C3CCCCC3)c(=O)c3cccnc32)cc1 6805161 WMERWAURHVSCAP-UHFFFAOYSA-N 406.486 3.265 0 40 HGAB CCN(c1ccccc1C)S(=O)(=O)c1nnc(NC(=O)c2ccccc2)s1 6818301 LWQKGOOHIJAQRK-UHFFFAOYSA-N 402.501 3.314 0 40 HGAB COc1ccccc1NC(=O)CSc1nnc(Cc2ccc(OC)c(OC)c2)o1 7605395 MYVJQWORCPAANY-UHFFFAOYSA-N 415.471 3.417 0 40 HGAB COC(=O)COc1ccc(S(=O)(=O)NCc2ccc(Cl)cc2)cc1Cl 8092080 XWPWPKNJKRZPLS-UHFFFAOYSA-N 404.271 3.024 0 40 HGAB COc1ccc(-c2noc(CN3C(=O)N[C@@]4(CCCc5ccccc54)C3=O)n2)cc1 8316454 HIJGNDKMIUUWSK-JOCHJYFZSA-N 404.426 3.029 0 40 HGAB COc1ccc(S(=O)(=O)NCCC2=CCCCC2)cc1C(=O)N1CCCCC1 8560544 YAANFYZOBQBHRS-UHFFFAOYSA-N 406.548 3.490 0 40 HGAB C[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)NCc2cccc(Cl)c2)C1=O 8622731 WUFZZGYZKNKQQI-IBGZPJMESA-N 406.269 3.077 0 40 HGAB CCn1nc(C(=O)OCC(=O)Nc2ccccc2C(F)(F)F)c2ccccc2c1=O 8807008 BUUDEYUWEZLRHY-UHFFFAOYSA-N 419.359 3.231 0 40 HGAB COc1ccccc1CNC(=O)COC(=O)/C=C/c1ccc(OC(F)F)c(OC)c1 9247203 GPRKAJAJIQORPS-CSKARUKUSA-N 421.396 3.178 0 40 HGAB CCc1ccc(OCC(=O)N(Cc2sccc2C)[C@H]2CCS(=O)(=O)C2)cc1 9431291 WMLJTNQIQQUBPI-KRWDZBQOSA-N 407.557 3.214 0 40 HGAB CCOc1ccc(-c2nnc(O)c3c2[C@@H](c2cccc(F)c2)n2nnnc2N3)cc1 10295853 MOLBUAJNHUYWMR-GOSISDBHSA-N 405.393 3.068 0 40 HGAB CC(C)c1ccc(NC(=O)CN(C)CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)cc1 11067658 NEBWIALKJXPBME-KRWDZBQOSA-N 422.529 3.444 0 40 HGAB Cc1ccc(C2=NN(CC(=O)NC3CCC3)C(=O)c3cc4ccccc4n3C2)cc1 12117978 YSBLAWBTLPNVGS-UHFFFAOYSA-N 400.482 3.479 0 40 HGAB CCn1c(C)cc(C(=O)Cn2c(C[C@H]3CCS(=O)(=O)C3)nc3ccccc32)c1C 12525121 MWOKWQLJLNPIMD-QGZVFWFLSA-N 413.543 3.335 0 40 HGAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1NCc1c(F)cccc1Cl 12527204 BBYJZJZPKGWUPW-UHFFFAOYSA-N 414.886 3.121 0 40 HGAB O=C(CN1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)N1CCc2ccccc21 12551740 LSGJERHAKJLACV-UHFFFAOYSA-N 424.854 3.465 0 40 HGAB C[C@H](C(=O)Nc1ccc(F)c(F)c1)N1CCC(C(=O)Nc2ccccc2O)CC1 12743716 XISUZNQPSCVJFF-CYBMUJFWSA-N 403.429 3.348 0 40 HGAB C/C=C/c1ccc(OCC(=O)NC[C@@H](c2cccs2)N2CCOCC2)c(OC)c1 12753191 ZABNCLQJCGODFX-YZTRRJNXSA-N 416.543 3.358 0 40 HGAB Cc1cc(C)cc(C(=O)NCC(=O)Nc2nc(CN3CCC(C)CC3)cs2)c1 12769933 GAGYYSBOWQBWHQ-UHFFFAOYSA-N 400.548 3.360 0 40 HGAB O=C(Nc1nc(-c2ccc3c(c2)OCO3)cs1)c1ccc(N2CCOCC2)nc1 12777834 CGCUNWAKPOHVIP-UHFFFAOYSA-N 410.455 3.023 0 40 HGAB O=C(O[C@@H]1CCc2ccccc21)[C@@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1 12852108 ZCUFJIQZNANXHE-VQIMIIECSA-N 410.495 3.078 0 40 HGAB COc1ccc(NC(=O)CC[C@@H]2NC(=O)N(CCc3c[nH]c4ccccc34)C2=O)cc1 12893008 LWONZIAPRMHXGK-FQEVSTJZSA-N 420.469 3.058 0 40 HGAB biogenic O=C(/C=C/c1ccc(S(=O)(=O)NCc2ccco2)cc1)N1CCc2ccccc21 12978744 KIZFFIDACZEVFU-FMIVXFBMSA-N 408.479 3.361 0 40 HGAB O=C(CSc1nc(Cl)nc2nc[nH]c12)NCCc1c[nH]c2ccc(F)cc12 13552786 NQYLYTJOUULICD-UHFFFAOYSA-N 404.858 3.078 0 40 HGAB C[C@@H](C(=O)Nc1ccc(Br)cc1Cl)N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O 13856032 LWNFBBHZXRVXCF-RWDPWNMBSA-N 423.694 3.237 0 40 HGAB CCCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)cc1 14665204 CHCYVTRIGTZFTA-INIZCTEOSA-N 424.453 3.016 0 40 HGAB COc1cc(/C=C/C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc(OC)c1 15579512 DSDZBSZYAJOOFM-BJMVGYQFSA-N 416.499 3.140 0 40 HGAB O=C(Nc1ccc(F)c(F)c1F)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 15581581 BSMJKABFUDMDJN-LLVKDONJSA-N 416.396 3.282 0 40 HGAB O=C(Nc1cccc(S(=O)(=O)NCc2ccco2)c1)C1=Cc2ccccc2OC1 15631136 ZRRALKQBFIOTEZ-UHFFFAOYSA-N 410.451 3.173 0 40 HGAB CC(=O)c1cccc(NC(=O)c2ccc(N3C(=O)[C@@H](C)CS3(=O)=O)cc2Cl)c1 15858450 IWUZKFNFAVOGMQ-NSHDSACASA-N 420.874 3.107 0 40 HGAB CN(Cc1ccc(C(C)(C)C)cc1)C(=O)CCNC1=NS(=O)(=O)c2ccccc21 18080055 VQZJDLZHEBXTBZ-UHFFFAOYSA-N 413.543 3.071 0 40 HGAB CC(=O)Nc1ccc(C(=O)N2CCC(c3nc(O)cc(-c4nccs4)n3)CC2)cc1 19022313 FBDWOHCAXMYMFH-UHFFFAOYSA-N 423.498 3.284 0 40 HGAB C[C@@H](C(=O)NCCn1nc(-c2ccc(F)cc2)cc1-c1cccnc1)N1CCCC1 19080262 FMQQTYHXIOTQTN-KRWDZBQOSA-N 407.493 3.352 0 40 HGAB CN(C[C@@H]1OCCc2ccccc21)C(=O)C12C[C@@H]3C[C@H](C1)CC(n1cncn1)(C3)C2 19585982 LBAWXNWZSBGWCQ-PHFHLZEPSA-N 406.530 3.346 0 40 HGAB CNc1nc([C@@H]2CCCN(CCCc3ccccc3)C2)nc2c1CN(C(C)=O)CC2 19707181 ZBXKMAJMQRGHNX-HXUWFJFHSA-N 407.562 3.235 0 40 HGAB Cn1c(=O)c(C(=O)Nc2ccccc2OCCN2CCCCCC2)nc2ccccc21 19715012 BSBYDDKDCRGSKG-UHFFFAOYSA-N 420.513 3.441 0 40 HGAB OCCOCCOCCN1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 22463019 VUFOCTSXHUWGPW-HSZRJFAPSA-N 418.965 3.073 0 40 HGAB in-man Cc1cccc(NC(=O)CSc2nnc3nc(O)c(-c4ccc(F)cc4)nn23)c1C 22720707 DIMRVAWPKQHGLL-UHFFFAOYSA-N 424.461 3.379 0 40 HGAB CCN(CC)S(=O)(=O)c1cccc(-c2nnc(S[C@@H]3CCCCC3=O)o2)c1 23516180 IGDAYEALOXGNSH-MRXNPFEDSA-N 409.533 3.371 0 40 HGAB CN(CC(=O)Nc1cccc2ccccc12)c1ccc(S(=O)(=O)N2CCCC2)cn1 23907694 OBYBEJWUNXFVAL-UHFFFAOYSA-N 424.526 3.094 0 40 HGAB O=C(NC[C@@H]1COc2ccccc2O1)[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 24858914 ORSPWSVKNBGZBH-AZFFTFQESA-N 424.541 3.150 0 40 HGAB CCOc1cc2c(cc1CSCC(=O)Nc1ccc(C(N)=O)cc1)O[C@@H](C)C2 24867559 JIRNKLBWYUIHLJ-ZDUSSCGKSA-N 400.500 3.380 0 40 HGAB O=C(OCc1cc(=O)n2cc(Cl)ccc2n1)c1ccc(N2CCCCC2=O)cc1 25806698 WYKJWCIMGUVWLC-UHFFFAOYSA-N 411.845 3.222 0 40 HGAB Cc1ccc2nc(-c3ccc(C)s3)cc(C(=O)N[C@@H]3CCS(=O)(=O)C3)c2c1 27977291 YQVDMHJQKPNSRQ-CQSZACIVSA-N 400.525 3.497 0 40 HGAB O=C(c1cccc(I)c1)N1CCC[C@H]1c1nnc2ccccn12 31499664 GYRKSUZRMIOMPB-AWEZNQCLSA-N 418.238 3.311 0 40 HGAB O=C(Nc1nc2c(s1)CCCCC2)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 32885731 RLDNPYCUSHETNQ-INIZCTEOSA-N 423.535 3.343 0 40 HGAB Cc1c(C(=O)NCc2ccc(CN3CCOCC3)cc2)cnn1-c1ccccc1F 32903479 ICKOJMNCSZRQFY-UHFFFAOYSA-N 408.477 3.082 0 40 HGAB Cn1ccnc1C(=O)c1ccc(NC(=O)[C@H]2CCCCN2C(=O)c2cccs2)cc1 32905861 QGMWLKMOZZQDRY-QGZVFWFLSA-N 422.510 3.346 0 40 HGAB O=C(NCC1CC1)C1CCN(c2nc3ccsc3c(=O)n2Cc2ccccc2)CC1 33302435 MBQABVBHUPJZGD-UHFFFAOYSA-N 422.554 3.249 0 40 HGAB Cc1ccc([C@@H]2C[C@H](C(F)(F)F)n3nc(C(=O)N4CCN(C)CC4)cc3N2)cc1 33927166 HNWWNDJRBHIJHJ-DOTOQJQBSA-N 407.440 3.239 0 40 HGAB COc1cc(Cl)cc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)c1O 35387197 PDDZCPZFNUYJEY-ZSOIEALJSA-N 410.879 3.103 0 40 HGAB COc1ccc(Cl)cc1NC(=O)NCCN1CCN(c2ccccc2F)CC1 38591047 CWLCRLWOEAZGEM-UHFFFAOYSA-N 406.889 3.431 0 40 HGAB CS(=O)(=O)N1CC[C@H](C(=O)Nc2ccc(F)cc2F)Oc2ccc(Cl)cc21 38853650 ZNRARWFCKYDJKB-MRXNPFEDSA-N 416.833 3.174 0 40 HGAB CCc1cccc(CC)c1NC(=O)[C@H]1CCN(S(C)(=O)=O)c2ccccc2O1 38856275 AVQGDTJLLWZOCH-LJQANCHMSA-N 402.516 3.367 0 40 HGAB CCN(CC(=O)NCc1ccccc1OC)S(=O)(=O)c1ccc2ccccc2c1 39986911 RFCQINDKJORTNW-UHFFFAOYSA-N 412.511 3.175 0 40 HGAB COc1cc(N2C[C@H](C(=O)N[C@H](C)c3cccc(F)c3)CC2=O)cc(OC)c1OC 40068079 VYZLFUZNVMFVIU-UKRRQHHQSA-N 416.449 3.082 0 40 HGAB C[C@@]1(c2cccc(NC(=O)COc3ccc(Cl)cc3Cl)c2)NC(=O)NC1=O 40110853 IOLFFJQMUIUFFU-SFHVURJKSA-N 408.241 3.066 0 40 HGAB CCCc1nnc(NC(=O)[C@H]2CC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)s1 40130661 PSVACDHZIDDKDR-LBPRGKRZSA-N 412.437 3.497 0 40 HGAB O=C(COC1CCCCC1)NCCN1C(=O)S/C(=C\c2ccccc2F)C1=O 40140477 DSWCYYYWUZGPQI-ATVHPVEESA-N 406.479 3.328 0 40 HGAB Cn1cc(CCCOC(=O)c2ccc3c(c2)C(=O)N(Cc2ccccc2)C3=O)cn1 40151895 CBWIGMHSPNJNRM-UHFFFAOYSA-N 403.438 3.006 0 40 HGAB COc1cc(C(=O)NCc2cccnc2-n2cncn2)cc(Cl)c1OC(C)C 47121495 KBGRUCMTOUEXAG-UHFFFAOYSA-N 401.854 3.042 0 40 HGAB CC(C)CCn1c(=O)c2sccc2n(CC(=O)Nc2ccc(F)cc2F)c1=O 57426649 OENJRQUOYBENAU-UHFFFAOYSA-N 407.442 3.188 0 40 HGAB COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1C(=O)c1cc(Cl)ccn1 57671480 PEGNMGKMKFNDHY-MRXNPFEDSA-N 404.850 3.055 0 40 HGAB COCCOc1ccc([C@@H](C)NC(=O)N2CCCN(C(C)(C)C)CC2)cc1OC 58178225 KUQMLHHSCXXRLO-QGZVFWFLSA-N 407.555 3.297 0 40 HGAB CCc1cccc(C)c1NC(=O)Cn1c(-c2ccccc2)nc(C)c(CCO)c1=O 67300266 VXQWZHXAYGFKPE-UHFFFAOYSA-N 405.498 3.263 0 40 HGAB Cc1cc(S(=O)(=O)NC[C@@H](c2cccs2)N(C)C)ccc1Br 69082802 BGVATSJPVSYOLQ-AWEZNQCLSA-N 403.367 3.400 0 40 HGAB COc1ccc(Cn2cc(C(=O)NCCn3cccc3)c3ccccc3c2=O)cc1 72402559 ZUICKRAIQUXHOC-UHFFFAOYSA-N 401.466 3.290 0 40 HGAB COc1ccc([C@H](N)c2n[nH]c(-c3ccc(I)cc3)n2)cc1 95533706 BWSLLLHWEDZYPJ-AWEZNQCLSA-N 406.227 3.133 0 40 HGAB CC(=O)Nc1cccc(NC(=O)CSc2nc(-c3ccccc3)c(C)c(=O)[nH]2)c1 95941627 IGXIPPIQQUQYOG-UHFFFAOYSA-N 408.483 3.435 0 40 HGAB CCN(CC)C(=O)C[C@@H]1CC2(CCN(C(=O)c3cnccn3)CC2)c2ccccc21 96053057 KAJPKNOVNOVJIC-GOSISDBHSA-N 406.530 3.396 0 40 HGAB CCOc1ccc([C@@H](C)NC(=O)CN(c2cccc(C)c2C)S(C)(=O)=O)cc1 216316296 FPYBFWDIUFBULA-QGZVFWFLSA-N 404.532 3.346 0 40 HGAB COc1ccccc1CCCNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 219983749 GJOVLZWXYYFZMP-UHFFFAOYSA-N 416.543 3.232 0 40 HGAB CCOC(=O)c1cccc(NC(=O)[C@@H](CC)N(c2ccccc2F)S(C)(=O)=O)c1 220603144 GDCCYOKIQNDFLJ-QGZVFWFLSA-N 422.478 3.186 0 40 HGAB CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N1CCCc2ccccc21 222658923 PJNRSTQIXLKBPX-FQEVSTJZSA-N 402.516 3.219 0 40 HGAB CN(C)CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccncc1 223215420 DQHAHPRVTWLOBC-SFTDATJTSA-N 406.559 3.192 0 40 HGAB COc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)N[C@@H]3C[C@@H]4CC[C@@H]3C4)c2)cc1 224280444 GJBJIHZPJSKDAN-WHSLLNHNSA-N 414.527 3.439 0 40 HGAB CCc1ccc([C@@H](C)NS(=O)(=O)c2nnc(NC(=O)c3ccccc3)s2)cc1 224391138 QYCZRIOTBVCKSQ-CYBMUJFWSA-N 416.528 3.392 0 40 HGAB CCOc1ccccc1CCCNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CC 225869704 SSHFITPYCXWCAO-UHFFFAOYSA-N 416.543 3.296 0 40 HGAB S=C(NC[C@@H]1CCCO1)Nc1nc(N2CCCCCC2)cc(N2CCCCC2)n1 225907433 TVMOUTRKFWMCJQ-KRWDZBQOSA-N 418.611 3.313 0 40 HGAB O=C(c1ccc2c(c1)OCCO2)N1CCC(c2cccc(Nc3cnccn3)n2)CC1 257200467 ADLXKNZVKNZBGG-UHFFFAOYSA-N 417.469 3.406 0 40 HGAB O=C(Cc1ccc2c(c1)CCCO2)N1CCC[C@@H]1c1cncc(Nc2ncccn2)n1 257203031 AOIXHNIVAUHDOF-LJQANCHMSA-N 416.485 3.241 0 40 HGAB CCc1onc(C)c1-c1cccc([C@@H]2CN(C(=O)c3cn(CC)nc3C)CCO2)n1 257262460 LLLSMHYLSIIUDT-FQEVSTJZSA-N 409.490 3.346 0 40 HGAB C[C@]12C[C@@H](Cc3ccccc3)N(C(=O)c3n[nH]c4c3CCC4)[C@H]1CCCCC(=O)N2 257277137 NWPARNLPSRMMRU-YQOVMPOYSA-N 406.530 3.173 0 40 HGAB CCOc1ccc(C(=O)Nc2ccccc2OC)cc1S(=O)(=O)N1CCCC1 408697509 JYOXBIAUQFXIKZ-UHFFFAOYSA-N 404.488 3.131 0 40 HGAB COc1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2cc(C)ccc2OC)C1 409388542 DKYCZVXLGFFXHJ-INIZCTEOSA-N 418.515 3.052 0 40 HGAB O=C(C[C@@H]1COc2ccccc2O1)N1CCC(COc2cc3c(nn2)CCCC3)CC1 1565523459 NMKRWEIECFVCJA-LJQANCHMSA-N 423.513 3.203 0 40 HGAB CC[C@H](Cc1ccc(F)cc1)NS(=O)(=O)C1CN(C(=O)OCc2ccccc2)C1 1655983575 PSDKBTSPJHAZBG-LJQANCHMSA-N 420.506 3.087 0 40 HGAB O=C1N(c2ccccc2)CCCC[C@]12CN(Cc1ccc3c(c1)OCCO3)CCO2 2037983880 JTWZZFQVLFOMDE-DEOSSOPVSA-N 408.498 3.246 0 40 HGAB CN(C)S(=O)(=O)c1ccc(NC(=O)CSc2nc3ccccc3s2)cc1 2625156 KOHNMORBOFVFJX-UHFFFAOYSA-N 407.542 3.277 0 40 HGAB Cc1c(Cl)c(C(F)F)nn1[C@@H](C)C(=O)NCCn1cc(Br)cn1 2782578 MSFVQNDQPFNRCZ-QMMMGPOBSA-N 410.650 3.119 0 40 HGAB NC(=O)[C@H](Sc1nnc2n(C3CC3)c(-c3ccccc3)nn12)c1ccc(F)cc1 32925506 SFMWDMBFHLMCEW-MRXNPFEDSA-N 408.462 3.386 0 40 HGAB COC(=O)C1=C(C(=O)OC)N(c2ccc(Cl)cc2)C(=O)N[C@@H]1c1ccccc1F 32936411 LPJPTXQZBIFNNA-MRXNPFEDSA-N 418.808 3.350 0 40 HGAB COc1ccccc1CNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 3614961 TUENUWBIHCTTRG-UHFFFAOYSA-N 422.934 3.453 0 40 HGAB COc1ccc(CC(=O)Nc2cc(Br)ccc2N2CCN(C)CC2)cc1 21843152 RZZUJBSIFSOSKP-UHFFFAOYSA-N 418.335 3.391 0 40 HGAB C[C@@H]1CCCC[C@@H]1NC(=O)CSc1nnc(-c2ccncc2)n1CCCN(C)C 4130373 RBTROSDHSMXYNG-AEFFLSMTSA-N 416.595 3.079 0 40 HGAB Cc1cccc(NS(=O)(=O)c2ccc(C(=O)NC3CCC(O)CC3)cc2)c1C 33028108 UQSMUXYUNOKKQK-UHFFFAOYSA-N 402.516 3.138 0 40 HGAB C[C@@H]1CCC[C@@H](n2c(SCc3nc(N)nc(N)n3)nc3ccccc3c2=O)[C@@H]1C 7182626 BGYZKAIYYUALGU-LALPHHSUSA-N 411.535 3.035 0 40 HGAB Cc1c(C)c2ccc(O[C@@H](C)C(=O)NC[C@H]3CC[C@H](C(=O)O)CC3)c(C)c2oc1=O 100767313 WLYWCBGRFRSDSW-YESZJQIVSA-N 415.486 3.493 0 40 HGAB CC[C@@H](NC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1)c1ccc(OC)cc1 20494958 GDIRLCPRDFKFHQ-GOSISDBHSA-N 422.572 3.425 0 40 HGAB CC(C)(C)c1ccc(S(=O)(=O)N2CCN(C[C@@H](O)c3ccccc3)CC2)cc1 23763354 BMAFRDSPPBIBGO-OAQYLSRUSA-N 402.560 3.024 0 40 HGAB COc1cccc(COC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)c1OC 24750454 OIDRVLYKHWXXKD-UHFFFAOYSA-N 401.434 3.439 0 40 HGAB O=C(c1ccco1)N1CCN(C[C@H](O)COC(c2ccccc2)c2ccccc2)CC1 25329352 WJCVNKWTLBYTQI-QFIPXVFZSA-N 420.509 3.205 0 40 HGAB CC(C)c1c(C(=O)N2CCN(c3cnccn3)CC2)cnn1-c1ccc(Cl)cc1 25344668 DCGPTWDJQTYCHY-UHFFFAOYSA-N 410.909 3.402 0 40 HGAB C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCN(C(=O)c5ccco5)CC4)[C@H]3C=C12 20112918 MQSZZIBOTGMDJA-OLCZWSHVSA-N 412.530 3.352 0 40 HGAB biogenic COc1ccc(NC(=O)C2(c3cccc(C)c3)CCC2)cc1S(=O)(=O)N(C)C 25925132 HRAMSBOKVORPMX-UHFFFAOYSA-N 402.516 3.314 0 40 HGAB NC(=O)[C@@H]1Cc2ccccc2CN1Cc1nc2scc(-c3cccs3)c2c(=O)[nH]1 35286876 NYKCGQPPVNSSHD-HNNXBMFYSA-N 422.535 3.125 0 40 HGAB CCc1nnsc1C(=O)N1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1 26644453 QOPJRWYOASFNCY-UHFFFAOYSA-N 420.538 3.217 0 40 HGAB COc1ccc([C@@H]2CCCCCN2S(=O)(=O)c2ccc(OC)c(C(N)=O)c2)cc1 26764745 VBCPVSRDAAEPHI-IBGZPJMESA-N 418.515 3.109 0 40 HGAB O=C(C[C@H]1C(=O)OCCN1Cc1ccccc1)Nc1cccc(OC(F)(F)F)c1 54672203 AARIJNDGNMEZIK-KRWDZBQOSA-N 408.376 3.341 0 40 HGAB C[C@@]12CCC(=O)N1[C@@H](C(=O)NCc1ccc(CN3CCc4ccccc43)cc1)CS2 27589813 IVXDQXGTNBDNLT-ZJSXRUAMSA-N 421.566 3.320 0 40 HGAB COc1ccc2sc(NC(=O)Cn3nc(-c4ccc(F)cc4)ccc3=O)nc2c1 51319652 SZCOBWVICUKODZ-UHFFFAOYSA-N 410.430 3.306 0 40 HGAB CC(=O)NC(=S)Nc1ccc(NC(=S)NC(=O)c2cccc(Cl)c2)cc1 2256792 ZPHQNVMCFNWUFZ-UHFFFAOYSA-N 406.920 3.300 0 40 HGAB CC(C)[C@H](NC(=O)CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O)c1cccs1 10611449 MNFGYRQNFGEPBM-XLIONFOSSA-N 424.526 3.206 0 40 HGAB C[C@@H](OC(=O)COc1ccc2c(c1)CCC(=O)N2)C(=O)Nc1ccc2c(c1)CCC2 12998644 MQKMJRCZPFAQCI-CQSZACIVSA-N 408.454 3.009 0 40 HGAB COc1ccc2[nH]c3c(c2c1)CCN1C(=O)CN(CCCc2ccccc2)C(=O)[C@]31C 4073488 DTBHUAYNBPTNJN-VWLOTQADSA-N 417.509 3.251 0 40 HGAB biogenic CC(=O)OCC(=O)[C@@]1(O)[C@H](C)C[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 4073871 UREXXQAEJYMHKC-GMJKYNQJSA-N 404.547 3.419 0 40 HGAB biogenic Cc1ccc(N2C(=O)C[C@@H](N3CCc4cc5c(cc4[C@H]3C)OCCCO5)C2=O)cc1 13576874 JLYOQKZEHUMFGU-OXQOHEQNSA-N 406.482 3.408 0 40 HGAB COc1cccc(NC(=O)Cn2c(C(F)(F)F)nc3cc4c(cc32)OCCO4)c1 64814429 HTCGDWLUDRAKAK-UHFFFAOYSA-N 407.348 3.474 0 40 HGAB CC1=C(C(=O)Nc2cccnc2)[C@@H](c2ccc(Cl)cc2)n2nc(CCCO)nc2N1 6144540 PXJLLAIYUIDQFE-LJQANCHMSA-N 424.892 3.179 0 40 HGAB CCN1C(=O)/C(=C\c2cn(C)nc2C)N=C1SCC(=O)Nc1cc(C)ccc1C 6401119 BFOZXDFWIPSMFX-VCHYOVAHSA-N 411.531 3.276 0 40 HGAB O=C(CN1C(=O)c2ccccc2S1(=O)=O)Nc1ccccc1Oc1ccccc1 4502895 PPFHFHOQTDQDOM-UHFFFAOYSA-N 408.435 3.262 0 40 HGAB COc1cccc(CN(C)C(=O)[C@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)c1 6602925 CSQVDQDWCDNKQZ-NRFANRHFSA-N 418.559 3.355 0 40 HGAB CC(=O)Nc1ccc2c(COC(=O)c3cnc4c(cnn4C(C)C)c3)cc(=O)oc2c1 14710688 IVQMRCJWYIHLAO-UHFFFAOYSA-N 420.425 3.434 0 40 HGAB O=S(=O)(c1ccc(F)cc1F)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 15330108 QWZHJTYBNHIDFH-UHFFFAOYSA-N 420.403 3.490 0 40 HGAB CCOc1ccc(CNS(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1OCC 22528523 KZZSKGLPICPOQM-UHFFFAOYSA-N 418.515 3.089 0 40 HGAB Cc1ccc(S(=O)(=O)CCC(=O)N[C@H](c2ccc3c(c2)OCCO3)C(C)C)cc1 8124480 KPHFRWWJXMKZDB-QFIPXVFZSA-N 417.527 3.444 0 40 HGAB CC(=O)c1ccccc1OCCN1C(=O)N[C@@](C)(c2ccc(OC(F)F)cc2)C1=O 8936639 ULBAVQPZNKDTCR-NRFANRHFSA-N 418.396 3.337 0 40 HGAB O=C(Cc1ccccc1)NCC(=O)Nc1nc2ccc(Br)cc2s1 9447892 PYEOLNXJCLZRTM-UHFFFAOYSA-N 404.289 3.356 0 40 HGAB CCc1noc(-c2ccnc(-n3cnc(C(=O)NCc4ccc(F)cc4F)c3)c2)n1 71768525 HZYKYYGLELTFNG-UHFFFAOYSA-N 410.384 3.088 0 40 HGAB COCCNC(=O)[C@@H](C)[C@H]1CC[C@@]2(C)CC[C@H](NC(=O)CC(C)(C)C)[C@@H](C)[C@@H]2[C@H]1O 20466387 HXQFIMTWFGQKAN-IHFZFUTHSA-N 424.626 3.129 0 40 HGAB biogenic,in-vitro O=C(NC[C@H]1CCCN(C(=O)c2ccccc2-n2cccn2)C1)c1ccncc1Cl 95435117 LHRDTUMEJUTXGW-MRXNPFEDSA-N 423.904 3.203 0 40 HGAB COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC[C@@H](C(=O)N2CCCCC2)C1 408701042 QKWMUMFFFDLCGU-GOSISDBHSA-N 408.564 3.232 0 40 HGAB COc1ccc(S(=O)(=O)NCc2ccc(-n3ccnc3)cc2)cc1Br 38753901 YVMMMUDHWUUKRZ-UHFFFAOYSA-N 422.304 3.122 0 40 HGAB CC(C)c1nnc2ccc(SCC(=O)N3CCc4c([nH]c5ccccc45)C3)nn12 524734569 RUXQAFQUICFFFL-UHFFFAOYSA-N 406.515 3.406 0 40 HGAB CC(=O)c1cccc(NC(=O)[C@@H]2CCN(S(C)(=O)=O)c3cc(Cl)ccc3O2)c1 38858428 BRQKMPXCVNYQFU-SFHVURJKSA-N 422.890 3.098 0 40 HGAB CCOC(=O)c1cccc(NC(=O)[C@@H](CC)N(c2ccccc2)S(C)(=O)=O)c1 219082678 FIZDHLQEJIDQEB-GOSISDBHSA-N 404.488 3.047 0 40 HGAB CC(C)c1cc(C(=O)N2CCN(CCc3ccncc3)CC2)n(-c2ccccc2)n1 79487015 DLZIDBICMITQAY-UHFFFAOYSA-N 403.530 3.391 0 40 HGAB COc1ccc(C(=O)Nn2c(Cc3cccs3)nc3ccccc3c2=O)cc1OC 35315585 HNKVJLOEFFRWOC-UHFFFAOYSA-N 421.478 3.450 0 40 HGAB CCOc1ncccc1CNC(=O)c1sc2nc3n(c(=O)c2c1C)CCCCC3 31322538 JSZIUKQNQNBIPM-UHFFFAOYSA-N 412.515 3.217 0 40 HGAB CN1CCN(c2ccc(-c3noc([C@@H]4CCCN4Cc4ccccc4)n3)cn2)CC1 49155096 OWFJEECCTFLGSS-FQEVSTJZSA-N 404.518 3.221 0 40 HGAB biogenic,in-vitro CC(C)(C)NS(=O)(=O)c1ccc(CCC(=O)N2CCOc3ccccc32)cc1 222868664 LRMWVERTRZFIQD-UHFFFAOYSA-N 402.516 3.122 0 40 HGAB COC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(OC)c(Br)c2)cc1 224879709 SXQGREDNZWERBW-UHFFFAOYSA-N 414.277 3.069 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)NC1CCCCC1 225400567 MUYRIFGCUOVENM-UHFFFAOYSA-N 408.564 3.251 0 40 HGAB CCOC(=O)c1ccccc1NC(=O)[C@@H](C)N(c1ccc(CC)cc1)S(C)(=O)=O 220264048 GTXYLXCIPDGZFI-OAHLLOKOSA-N 418.515 3.219 0 40 HGAB CCOc1cccc(CNC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)c1 44903361 JBGOUKKMGJBZOD-UHFFFAOYSA-N 416.543 3.498 0 40 HGAB CC(C)Oc1cccc(N(CC(=O)NCc2ccc(Cl)cc2)S(C)(=O)=O)c1 220103177 RVEQRZOFNNWMDT-UHFFFAOYSA-N 410.923 3.210 0 40 HGAB Cc1c(Cl)cccc1N(CC(=O)NCCc1ccc(Cl)cc1)S(C)(=O)=O 223680290 GPPKDKDKTTXAQN-UHFFFAOYSA-N 415.342 3.427 0 40 HGAB O=C1C[C@@H](C(=O)Nc2ccccc2)c2c(nc(Nc3ccc(Cl)cc3)[nH]c2=O)N1 40399159 AWTDEAHEWOKNPV-CQSZACIVSA-N 409.833 3.231 0 40 HGAB CCC(CC)NC(=O)c1ccc2nnc([C@H]3CN(CC4CC4)CCN3C(C)C)n2c1 96156822 DPONANJIXYGCGG-HXUWFJFHSA-N 412.582 3.125 0 40 HGAB Cc1oc2cc(OCC(=O)N[C@@H](C)C(=O)O)ccc2c(=O)c1Oc1ccccc1F 256027968 MAPKFQDHNRPQHT-NSHDSACASA-N 415.373 3.001 0 40 HGAB Cc1cc(Nc2ncccc2C)cc([C@@H]2CN(CC(=O)N3CCC(C)CC3)CCO2)n1 257317073 VIGDJAYRUBXPBM-QFIPXVFZSA-N 423.561 3.469 0 40 HGAB CC(C)OCC(=O)N1CCO[C@H](c2cc(CCOc3cccc(Cl)c3)n(C)n2)C1 257329311 XJHUZMSPHBNMCF-FQEVSTJZSA-N 421.925 3.020 0 40 HGAB CCn1ccnc1CN1CCCN([C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)CC1 592188736 MCPBNLLFWPIFNQ-INIZCTEOSA-N 423.483 3.457 0 40 HGAB CN(Cc1cccnc1)C[C@H]1CCC2(CN(C(=O)c3cc4ccccc4[nH]3)C2)OC1 575404349 NCLNZZBXQZGOQB-LJQANCHMSA-N 404.514 3.316 0 40 HGAB O[C@@H]1[C@@H](N2CCN(Cc3ccc(F)cc3)CC2)CCC[C@H]1Oc1cccc(F)c1 585290349 VEQXFJGPUNFPOG-YTFSRNRJSA-N 402.485 3.443 0 40 HGAB O=S(=O)(NC1CCN(Cc2ccc(F)c(F)c2)CC1)c1cc(F)ccc1F 55649746 LMLPPRZQUUFURX-UHFFFAOYSA-N 402.413 3.186 0 40 HGAB CNc1ccc(C(=O)N[C@@H](CCCCNC(=O)OCc2ccccc2)C(=O)O)cc1 5423138 NNILTJHYOHFXJI-IBGZPJMESA-N 413.474 3.008 0 40 HGAB CCOC(=O)C1=C(C)N=C2SCC(=O)N2[C@H]1c1ccc(OCC)c(OCC)c1 5713795 VSLFYIOQKRDLPD-SFHVURJKSA-N 404.488 3.307 0 40 HGAB CCOc1ccccc1CN1[C@H]2CC[C@@H]1CC(O)(Cn1nc(C3CC3)ccc1=O)C2 12366325 YTEFIBLZVKZJTH-VXMMSVGHSA-N 409.530 3.078 0 40 HGAB Cc1cc(=O)c(C(=O)N(C)CCOc2ccccc2Cl)nn1-c1ccccc1F 12814837 WIPOOEVYNVNYFA-UHFFFAOYSA-N 415.852 3.484 0 40 HGAB O=C(NCc1cc(-c2cccs2)on1)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O 13236820 CRTOBJMEQYQHDL-INIZCTEOSA-N 410.455 3.380 0 40 HGAB Cc1cc(-c2cccs2)nc([C@@H]2CCCN(C(=O)C[C@@H]3CCS(=O)(=O)C3)C2)n1 19117650 SAHYNVIIEWKDNG-JKSUJKDBSA-N 419.572 3.044 0 40 HGAB COc1ccc([C@@H](NC(=O)C[C@@H]2C(=O)NCCN2C2CCCC2)c2ccccc2)cc1 19553327 JDQHNFAGRDFFBK-VWNXMTODSA-N 421.541 3.034 0 40 HGAB COc1ccc(CC(=O)NC2CCN(c3cc4c(nn3)CCCC4)CC2)cc1Cl 225794236 KGCMJGJDAMELMA-UHFFFAOYSA-N 414.937 3.345 0 40 HGAB CCC(=O)N1CCCN(Cc2ccccn2)CCCN(C(C)=O)c2ccccc2C1 643581236 GFXJWHUPHBGTAP-UHFFFAOYSA-N 408.546 3.469 0 40 HGAB Cc1cc(C)nc(SCC(=O)N2CCC(c3noc(-c4ccccn4)n3)CC2)n1 12668745 ZQLWBICUMMVNTR-UHFFFAOYSA-N 410.503 3.037 0 40 HGAB CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCCN(C(=O)c4ccc(=O)[nH]c4)C3)cc2N1 19520661 KOWQXJUUMDLRCG-IIAWOOMASA-N 423.439 3.289 0 40 HGAB COc1ccc(CN2CCC[C@H](c3nc(-c4ccncc4)cc(=O)[nH]3)C2)cc1OC 19561019 ZEKDDUQXEGDEQV-SFHVURJKSA-N 406.486 3.229 0 40 HGAB FC(F)(F)c1cccnc1N1C[C@@H]2CN(c3ncc(Br)cn3)C[C@H]2C1 1888866907 WSWKVIDZKYWGIO-GHMZBOCLSA-N 414.229 3.226 0 40 HGAB COc1ccc(CCN2C(=O)C[C@H]3[C@H](CNC(=O)Cc4ccccc4)[C@@H](C)C[C@H]32)cc1 1775964398 OJQSMYQHHQXACI-PVERMEFCSA-N 420.553 3.470 0 40 HGAB biogenic,in-vitro Cc1cc(C)cc(N(C(=O)c2cc3ccccc3oc2=O)[C@@H]2C=CS(=O)(=O)C2)c1 4165638 JNQQGFBKQASVSA-QGZVFWFLSA-N 409.463 3.367 0 40 HGAB COc1ccc(CCNC(=O)NC[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1 9040313 RZDQAXWKWXOOSK-MRXNPFEDSA-N 401.894 3.243 0 40 HGAB COc1cccc(N2C(=O)[C@H]3N=NN(c4ccc(Br)c(C)c4)[C@H]3C2=O)c1 101260710 QIUYJCCOYOOSHH-JKSUJKDBSA-N 415.247 3.264 0 40 HGAB CCOc1ccc(-c2cc(C(=O)Nc3cc(C(=O)OC)ccc3C(=O)OC)n[nH]2)cc1 51315453 ZAEPCESEIZWTMT-UHFFFAOYSA-N 423.425 3.301 0 40 HGAB CC(C)(C)c1csc(NC(=O)CN2C(=O)[C@H]3CCCN3C(=O)c3ccccc32)n1 101413996 IGGBGSLMFVVKAF-OAHLLOKOSA-N 412.515 3.031 0 40 HGAB Cc1ccc(NC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 101420830 BDOCNUMZBHEEEX-OOOLTRJPSA-N 400.478 3.352 0 40 HGAB COc1cc(CC(=O)OCC(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)cc(OC)c1OC 102174316 RKYYNIQWMJAXRY-MWTRTKDXSA-N 419.518 3.225 0 40 HGAB O=c1c(Cl)c(Cl)cnn1-c1ccc(S(=O)(=O)N2CCCCCCC2)cc1 32755144 HHCFQBMCDPWSBP-UHFFFAOYSA-N 416.330 3.494 0 40 HGAB Cc1cccc(NC(=O)c2ccccc2NC(=O)CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 102317938 DXDXQXCNZAEJTP-QZTJIDSGSA-N 417.465 3.137 0 40 HGAB Cc1ccc(S(=O)(=O)NCc2nnc3c(Cl)cc(C(F)(F)F)cn23)cc1C 32843640 HUIVBYXKQBQHMZ-UHFFFAOYSA-N 418.828 3.497 0 40 HGAB CN(CCCC(=O)Nc1ccc2ccccc2n1)S(=O)(=O)c1ccc(F)cc1 32841588 UPZXGCLBAAIFKT-UHFFFAOYSA-N 401.463 3.413 0 40 HGAB CCc1nnc(NC(=O)CSc2nnc(COc3ccccc3C)n2CC)s1 915976 HHQDATAPIYWTAW-UHFFFAOYSA-N 418.548 3.330 0 40 HGAB CC(C)(C)OC(=O)[C@H]1[C@@H](c2ccc(O)cc2)[C@@H](C(=O)OC(C)(C)C)C(=O)C[C@@]1(C)O 4112418 IAIPIVRRJFSQNH-VOLVWJTLSA-N 420.502 3.115 0 40 HGAB O=C(COc1ccc(Cl)cc1)OCc1cc(=O)n2c3c(sc2n1)CCCC3 7125958 ZFFRTIXEMFDHFL-UHFFFAOYSA-N 404.875 3.410 0 40 HGAB NC(=O)c1ccsc1NC(=O)COC(=O)CCSc1nc2ccccc2s1 9507068 OUAIUGRBBKQUPN-UHFFFAOYSA-N 421.525 3.121 0 40 HGAB C[C@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)Nc2ccc(OC(F)F)cc2)C1=O 9165830 LGYQCCDTZLRZFU-LJQANCHMSA-N 423.803 3.347 0 40 HGAB C[C@H]1CCCC[C@@H]1NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCCC1 12527875 KBJPCCPUAAJWEM-LPHOPBHVSA-N 407.580 3.236 0 40 HGAB Cc1ccc(Cn2nccc2NC(=O)CCN2C(=O)[C@H](C)Oc3ccccc32)cc1 24772581 SPRYMKNHGSCTIT-KRWDZBQOSA-N 404.470 3.383 0 40 HGAB O=S(=O)(NNc1ccc(C(F)(F)F)cn1)c1ccccc1OC(F)(F)F 12537822 SHVNKWGOGXYDIB-UHFFFAOYSA-N 401.288 3.304 0 40 HGAB Cc1noc2nc(-c3ccccc3)cc(C(=O)N(C)CC(=O)NCc3ccco3)c12 25377966 JIOGGTQZQQFQGK-UHFFFAOYSA-N 404.426 3.180 0 40 HGAB CC(C)CCn1c(=O)c2ccccc2n(CC(=O)N[C@@H](C)CCc2ccccc2)c1=O 57526050 LQXRVTANGAEHHF-IBGZPJMESA-N 421.541 3.347 0 40 HGAB Cc1cc(C)n(-c2ccccc2NC(=O)N2CCN(C(=O)N3CCCCC3)CC2)n1 58026238 YAVMKKYVBATQOX-UHFFFAOYSA-N 410.522 3.245 0 40 HGAB COc1cc(Cl)c(C)cc1NC(=O)CN1CCN(CCc2ccccc2)CC1 27574978 SUSLPWLWJYVIKH-UHFFFAOYSA-N 401.938 3.456 0 40 HGAB COc1ccc(S(=O)(=O)Nc2cc(-n3nnnc3C3CC3)ccc2F)cc1Cl 72301172 CCJGMJFDOOKEFF-UHFFFAOYSA-N 423.857 3.142 0 40 HGAB Cc1cccc(OCCOC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)c1 3392670 LVBRYABBYZFKFQ-UHFFFAOYSA-N 403.500 3.405 0 40 HGAB CC(C)c1nnc(NC(=O)[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2)s1 36366945 UQMIYFUFVLBRTN-SNVBAGLBSA-N 409.309 3.416 0 40 HGAB O=C(NC1CCCC1)[C@H]1CCCCN1S(=O)(=O)c1ccc(Br)cc1 12760091 ZURJUZXMSBHQRF-MRXNPFEDSA-N 415.353 3.051 0 40 HGAB Cc1cccc(N(Cc2ccccc2)C(=O)CSc2nnnn2C[C@@H]2CCCO2)c1 12783859 MZYPOBAPNGKPBT-FQEVSTJZSA-N 423.542 3.486 0 40 HGAB CN(C)S(=O)(=O)c1cccc(NC(=O)c2occc2COc2ccccc2)c1 12781251 GVZBSSHAYLTFLH-UHFFFAOYSA-N 400.456 3.361 0 40 HGAB C[C@H]1Cc2ccccc2N1C(=O)CCNS(=O)(=O)c1cccc(Br)c1 12856813 ICTGMAHUDQCKCE-ZDUSSCGKSA-N 423.332 3.095 0 40 HGAB Cc1ccc(N([C@H](C)C(=O)NCCSCc2ccco2)S(C)(=O)=O)cc1C 408546628 GEQKDSQFHCTSFH-MRXNPFEDSA-N 410.561 3.101 0 40 HGAB O=C1NC(=O)C(CCc2ccncc2)(Cc2cccc(Oc3ccccc3)c2)C(=O)N1 13281921 RUVCFHZFDKGHLC-UHFFFAOYSA-N 415.449 3.402 0 40 HGAB Cc1c(Cl)cccc1NC(=O)CNC(=O)COC(=O)c1ccc(Cl)cc1F 18808808 CHMBLGOIJIUJFS-UHFFFAOYSA-N 413.232 3.353 0 40 HGAB O=C(Nc1nc(-c2ccc[nH]2)cs1)c1cccc(S(=O)(=O)N2CCCC2)c1 8855531 YSCVPTULBRUUFL-UHFFFAOYSA-N 402.501 3.175 0 40 HGAB COc1ccccc1C(=O)NC1=C(C)N=C2NC=NN2[C@H]1c1c[nH]c2ccccc12 13655887 ZCZMVAKXIRZTJJ-FQEVSTJZSA-N 400.442 3.097 0 40 HGAB O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)OCc1nc2ccccc2n1C(F)F 14121250 AZLBAIUKARVFFL-CHWSQXEVSA-N 405.401 3.040 0 40 HGAB O=C(c1csc2c1CCCC2)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 14241098 FUUROIWXSBFISQ-XNTDXEJSSA-N 416.568 3.385 0 40 HGAB C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)c1ncnc2sc3c(c12)CCCC3 6584420 BNWNLGSHXQWAIG-GFCCVEGCSA-N 402.545 3.415 0 40 HGAB Cc1cc(C(=O)CSc2nnnn2-c2cccc(F)c2)c(C)n1C[C@@H]1CCCO1 6582872 AQNVFJUWWURSBY-KRWDZBQOSA-N 415.494 3.374 0 40 HGAB CCNC(=O)CN(c1ccccc1OCC)S(=O)(=O)c1ccc(SC)cc1 6594400 VGCLZLPBLUNJNQ-UHFFFAOYSA-N 408.545 3.139 0 40 HGAB CCOC(=O)Nc1cc(S(=O)(=O)Nc2ccc(C(=O)OC)cc2)ccc1OCC 408588046 WOCQAPSAYFDZQG-UHFFFAOYSA-N 422.459 3.241 0 40 HGAB CCCOc1cccc(C(=O)N(Cc2ccccc2F)[C@H]2CCS(=O)(=O)C2)c1 6811077 XXJHALUGAXWESE-SFHVURJKSA-N 405.491 3.444 0 40 HGAB COc1ccc(C)cc1NC(=O)CN1C[C@H](C(=O)N2CCCCC2)Oc2ccccc21 7251762 QRODHYCFOOOBGP-JOCHJYFZSA-N 423.513 3.222 0 40 HGAB CN(C)S(=O)(=O)c1ccc(NC(=O)c2ccc(Br)cc2F)cc1 7959691 AXNXRQZCLMBOHR-UHFFFAOYSA-N 401.257 3.091 0 40 HGAB Cc1cnc(NC(=O)[C@@H]2Cc3ccccc3CN2S(=O)(=O)c2cccs2)s1 9396747 PMHRBVIZXFFSCN-HNNXBMFYSA-N 419.553 3.267 0 40 HGAB COc1ccc(C(=O)N2CCC[C@H]3CCCC[C@H]32)cc1S(=O)(=O)N1CCCC1 8270206 ADCOSJWDCJCWLZ-SJLPKXTDSA-N 406.548 3.275 0 40 HGAB CN(Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2)C(=O)CCC(=O)O 8429660 FWOJCKROAOKUGU-UHFFFAOYSA-N 421.453 3.134 0 40 HGAB C[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccco1)c1ccc2c(c1)OCCO2 9883743 VHMLSWSHYWGRJQ-QFBILLFUSA-N 420.465 3.269 0 40 HGAB CC(C)[C@H](C(=O)NCc1nc2ccccc2n1C(C)C)n1nnc2ccccc2c1=O 95472272 IUMOEAROMSRJGC-OAQYLSRUSA-N 418.501 3.236 0 40 HGAB COc1cc(OC)cc(-n2c(=O)c3sccc3n(CC(=O)c3ccccc3)c2=O)c1 9939244 UKESLSCJHRGTEY-UHFFFAOYSA-N 422.462 3.114 0 40 HGAB CCOc1cccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccc(F)cc3)CC2)c1 22532735 OBSARUDOQJZIIR-UHFFFAOYSA-N 420.506 3.405 0 40 HGAB COc1ccc(N([C@@H](C)C(=O)Nc2cccc(OC(C)C)c2)S(C)(=O)=O)cc1 408622058 TYSIBKNIUXHVTF-HNNXBMFYSA-N 406.504 3.276 0 40 HGAB CCC[C@H](c1nnnn1Cc1cccs1)N1CCN(c2ccccc2OC)CC1 35310988 UPGGNWAMOAZVOR-LJQANCHMSA-N 412.563 3.455 0 40 HGAB O=C(NC[C@H](Oc1ccc(F)cc1)C(=O)O)c1ccc(COc2ccc(F)cc2)o1 537366648 VOGXCTIEZLQWOM-IBGZPJMESA-N 417.364 3.399 0 40 HGAB Cc1ccc(-c2cn(CC(=O)Nc3ccc(N(C)C)cc3)nc2N2CCOCC2)cc1 62006885 BGJUVPZHULUZCV-UHFFFAOYSA-N 419.529 3.400 0 40 HGAB O=C(N1CCC2(CC1)C[C@@](O)(c1nccs1)CO2)C1(c2ccc(Cl)cc2)CC1 72335663 SZEQHJJSKZUESQ-NRFANRHFSA-N 418.946 3.497 0 40 HGAB COc1ccccc1CNC(=O)c1ccc2c(=O)n(-c3ccccc3F)cnc2c1 32101371 WLOPJNHGDKSIGD-UHFFFAOYSA-N 403.413 3.463 0 40 HGAB COc1cccc(CC(=O)N2CCC[C@@H](c3cc(-c4cnc(N)nc4)cc(C)n3)C2)c1 72353633 DLYAKQXKVGFJAU-GOSISDBHSA-N 417.513 3.387 0 40 HGAB CCOC(=O)[C@@H]1Oc2c(c(=O)oc3ccccc23)[C@H]1c1sc(N(C)C)nc1C 79190387 DZKUOXUUBOVHFI-CZUORRHYSA-N 400.456 3.080 0 40 HGAB biogenic CCOC(=O)[C@@H](NC(=O)c1ccccc1)c1nnc(C(F)(F)c2ccccc2)o1 35671004 AXJJHHKFKUHSBB-HNNXBMFYSA-N 401.369 3.244 0 40 HGAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1Cc1ccncc1 223606589 TULGAPZTIDOFBV-VXKWHMMOSA-N 421.570 3.298 0 40 HGAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1cc(-c2ccc(F)cc2)on1 225900691 UODRKGVPOSJDGT-UHFFFAOYSA-N 403.435 3.292 0 40 HGAB CCCn1c(=O)sc2cc(S(=O)(=O)Nc3cccc(C(=O)OC)c3C)ccc21 225726189 ARJUQATYUIBOMH-UHFFFAOYSA-N 420.512 3.369 0 40 HGAB COc1ccc(CN(C(=O)CCc2ccccc2)[C@@H](C)C(=O)NC[C@H]2CCCO2)cc1 222993744 MHVBHIFTIAAFRY-WMZHIEFXSA-N 424.541 3.340 0 40 HGAB COc1ccccc1CN(C)C(=O)c1ccc(C)c(N2CCCCS2(=O)=O)c1 224398266 JWPVAVLFKSULAK-UHFFFAOYSA-N 402.516 3.206 0 40 HGAB COc1ccccc1CNC(=O)[C@H](C)N(c1ccc(C)c(Cl)c1)S(C)(=O)=O 220357938 XYOPQWSBDTUZTP-AWEZNQCLSA-N 410.923 3.128 0 40 HGAB CC[C@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CCc1ccc2c(c1)OCCO2 223101550 HHAPZMBWUVUQHG-HXUWFJFHSA-N 410.514 3.252 0 40 HGAB Cc1cc(C)cc(OCCNC(=O)[C@@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)c1 224075500 MPOLJQBTZCROJK-MRXNPFEDSA-N 424.950 3.307 0 40 HGAB CCOC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)OC)c2)c1C 223832226 PXUSADRKMXEIBG-UHFFFAOYSA-N 411.863 3.413 0 40 HGAB O=C(O)CN(Cc1ccccc1)C(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1 532260397 AHOKVDYJVDWFSP-UHFFFAOYSA-N 424.478 3.214 0 40 HGAB CCc1onc(C)c1-c1cccc([C@H]2CN(C(=O)c3cnc(C4CC4)nc3)CCO2)n1 257203516 AQKPUPOVUAYXHR-HXUWFJFHSA-N 419.485 3.489 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCSCc3ccco3)C2)cc1 260888454 ATHWGFBMUIFAKX-KRWDZBQOSA-N 422.572 3.038 0 40 HGAB CCc1ccc(N([C@@H](C)C(=O)N[C@H](C)c2ccccc2OC)S(C)(=O)=O)cc1 260770490 SUBISXBEFHZAMX-CVEARBPZSA-N 404.532 3.290 0 40 HGAB COc1ccc(F)cc1S(=O)(=O)N1CCC(Oc2cnc3ccccc3n2)CC1 90678829 PYQJRYFFKMFPQE-UHFFFAOYSA-N 417.462 3.010 0 40 HGAB Cc1cc(Br)ccc1S(=O)(=O)N1CCN(c2ccc(F)cc2)CC1 5587663 NDJKKJXOABOZBC-UHFFFAOYSA-N 413.312 3.408 0 40 HGAB CCN(CC)C(=O)c1ccccc1NC(=O)CCCN1C(=O)c2ccccc2C1=O 5597826 PKZRKUGXBAGQHS-UHFFFAOYSA-N 407.470 3.184 0 40 HGAB COc1cccc(C(=O)N2CCC(Cn3nc(-c4ccccc4)ccc3=O)CC2)c1 12142664 ARYXRBXVEHMNRF-UHFFFAOYSA-N 403.482 3.471 0 40 HGAB COC(=O)c1cc(NC(=O)CN2C(=O)c3cccc4cccc2c34)cc(C(=O)OC)c1 14737529 QAFJMXCDLDZYDW-UHFFFAOYSA-N 418.405 3.012 0 40 HGAB Cc1nc(C[C@@H](NC(=O)c2cc(C(C)(C)C)n[nH]2)c2ccc(Cl)cc2)cc(=O)[nH]1 19285313 MMQZAESOZGLDDX-MRXNPFEDSA-N 413.909 3.466 0 40 HGAB Fc1ccc(-n2cc(CN(CCCN3CCOCC3)Cc3cccnc3)cn2)cc1 19338630 GNDZQIXCBVHFMP-UHFFFAOYSA-N 409.509 3.131 0 40 HGAB O=C(c1c[nH]c(=O)[nH]1)N1CCC[C@@H](c2nc(-c3cccs3)cc(C(F)(F)F)n2)C1 19344346 LPVQWHHCYBJNCN-SNVBAGLBSA-N 423.420 3.260 0 40 HGAB O=S(=O)(Cc1ccccc1)N1CCc2cc3c(cc2[C@H]1C1CCOCC1)OCO3 19372743 HZWCIQBOLLBTCD-JOCHJYFZSA-N 415.511 3.271 0 40 HGAB O=C(COC[C@@H]1COc2ccccc2O1)N1CCc2onc(-c3cccc(F)c3)c2C1 19375750 SIFCNHJWJIMRJS-QGZVFWFLSA-N 424.428 3.222 0 40 HGAB C[C@@H]1Oc2ccc(NC(=O)CCCc3nc(-c4ccccc4)no3)cc2N(C)C1=O 19658255 DEISPNBCQFXOBA-AWEZNQCLSA-N 406.442 3.442 0 40 HGAB O=C(NCC1CC1)c1ccc([C@@H]2CCCN(C(=O)c3ccc4nsnc4c3)C2)nc1 19705625 UGCCAQLXEPRZAP-QGZVFWFLSA-N 421.526 3.246 0 40 HGAB Cc1cc2n(n1)[C@@H](C(F)F)C[C@@H]([C@@H]1CCCN(C(=O)CN3CCC[C@@H](C)C3)C1)N2 19127862 ZYUZIBUCVIUSIC-NRSFXHEJSA-N 409.525 3.152 0 40 HGAB COCCC(=O)N1CC[C@](Cc2cccc(-c3ccc(F)cc3)c2)(C(=O)N(C)C)C1 19579939 LJGNOTYAHONMTF-XMMPIXPASA-N 412.505 3.379 0 40 HGAB Cc1cnccc1OCC1CCN(c2ncnc3c2nnn3-c2ccccc2)CC1 1889249502 UYKULZHACWQBJN-UHFFFAOYSA-N 401.474 3.209 0 40 HGAB CCCOc1c(CN2CCO[C@@]3(CCCCN(C(C)C)C3=O)C2)cccc1OC 2037984360 YKUNHGFCVYQGSP-QHCPKHFHSA-N 404.551 3.476 0 40 HGAB O=C(Nc1cccc(F)c1)[C@@]12C[C@H]1CCN2S(=O)(=O)c1ccc2ncsc2c1 2056224954 ICGIVZIBBCUBGF-CWTRNNRKSA-N 417.487 3.227 0 40 HGAB O=C(c1cnc(OC2CCOCC2)c(Cl)c1)N1CCN(c2ccccc2F)CC1 253473373 ULHPOXRUMUOAIE-UHFFFAOYSA-N 419.884 3.394 0 40 HGAB COc1ccc(CCN[C@@H](CC(=O)Nc2ccc(C)c(Cl)c2)C(=O)O)cc1OC 4939672 KJRORLHNNZHEQM-KRWDZBQOSA-N 420.893 3.280 0 40 HGAB O=C(c1cc2ccccc2oc1=O)N1CCN(c2ccc(-c3cccs3)nn2)CC1 9825107 QSXXMTMCKONBOZ-UHFFFAOYSA-N 418.478 3.274 0 40 HGAB CCOCC(=O)Nc1cc(C)nn1-c1nc(-c2ccc(OC)c(OC)c2)cs1 12442239 AFQIFLUHFMDWDZ-UHFFFAOYSA-N 402.476 3.296 0 40 HGAB CS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1nc(-c2ccc3c(c2)CCCC3)cs1 16847869 PNZJZJXXCRQKIC-QGZVFWFLSA-N 405.545 3.051 0 40 HGAB CS(=O)(=O)c1ccc(Nc2nc(CC(=O)N3CCc4ccccc43)cs2)cc1 23136679 IXVVVFLXWHIXJS-UHFFFAOYSA-N 413.524 3.422 0 40 HGAB O=C(Cc1ccc(Br)cc1)N1CCN(c2ccc(C3CC3)nn2)CC1 575619067 FXTYKMMJWBRGOC-UHFFFAOYSA-N 401.308 3.008 0 40 HGAB CC(=O)[C@@H]1[C@H](c2ccc(OCc3ccccc3)cc2)NC(=O)N[C@]1(O)C(F)(F)F 4162720 CVDMCJKLBADQIE-ZIFCJYIRSA-N 408.376 3.076 0 40 HGAB Cc1cc(S(=O)(=O)N2CCNC(=O)C[C@H]2c2ccccc2)ccc1Br 40149724 YBOIBFWAVVTEPT-KRWDZBQOSA-N 423.332 3.009 0 40 HGAB Cc1nc(C2(NC(=O)[C@@H]3CC(=O)N(c4ccc5c(c4)CCC5)C3)CCCCC2)no1 32449420 SRQYUGDVMWDTRE-GOSISDBHSA-N 408.502 3.195 0 40 HGAB CC[C@@H](C(=O)Nc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1)c1ccccc1 691919 CVBPOAVYXGFBTK-UYAOXDASSA-N 402.516 3.276 0 40 HGAB C[C@@H]1CCC[C@@H](C)N1S(=O)(=O)c1ccc(S(=O)(=O)NC2CCCCC2)cc1 1368264 AHKLCXNHNREFKM-HZPDHXFCSA-N 414.593 3.249 0 40 HGAB O=C(COC(=O)c1cc(-c2ccco2)nc2ccccc12)NC(=O)NCc1ccco1 3514095 YRJAESGGYDUBIS-UHFFFAOYSA-N 419.393 3.271 0 40 HGAB CC1(C)O[C@H](N2N=C(Br)[C@@H]3C(=O)NC=N[C@@H]32)C(C)(C)C(C)(C)C1(C)C 3852670 GOYRCAGRXJTZSS-SUHUHFCYSA-N 413.360 3.324 0 40 HGAB CCC[C@H]1CCc2c(sc(NC(=O)[C@@H]3[C@@H](C(=O)O)[C@H]4CC[C@@H]3C4)c2C(N)=O)C1 4019450 JCIATHCRWRGVQJ-WYEAJDFLSA-N 404.532 3.437 0 40 HGAB CNC(=S)N(CCc1ccccc1C)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 4160520 XDJDPJFECQBNLG-UHFFFAOYSA-N 423.538 3.157 0 40 HGAB COc1ccc(OC)c(NC(=O)C2=C(C)Nc3ncnn3[C@H]2c2cccc(F)c2)c1 4384711 IEPVJWRBKMIWSL-IBGZPJMESA-N 409.421 3.362 0 40 HGAB Cc1cc(C(=O)COC(=O)Cn2c(=O)oc3ccccc32)c(C)n1CC(F)(F)F 4884824 IDOQZPLMXFLVAI-UHFFFAOYSA-N 410.348 3.001 0 40 HGAB COc1ccc([C@H]2C(C(=O)OCc3ccccc3)=C(C)Nc3ncnn32)c(OC)c1 4934908 YUQXHZDGNRUPJI-FQEVSTJZSA-N 406.442 3.328 0 40 HGAB COc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)C(C)C)CCC3)cc1OC 5136580 KJJHFZYKOHXWQN-UHFFFAOYSA-N 418.515 3.440 0 40 HGAB COC(=O)[C@](NC(=O)c1ccccc1Cl)(Nc1ncccc1C)C(F)(F)F 6090726 LGOAIOVYQZUCSH-MRXNPFEDSA-N 401.772 3.317 0 40 HGAB C[C@@H](CCc1ccccc1)NC(=O)Cn1cnc2ccc(Br)cc2c1=O 6112236 PKSMBTYRQAEEOM-AWEZNQCLSA-N 414.303 3.297 0 40 HGAB Cc1ccccc1NC(=O)COc1ccc(N2C[C@@H](C(=O)NCC(C)C)CC2=O)cc1 6238488 YWAGEZVYBQZYFG-SFHVURJKSA-N 423.513 3.138 0 40 HGAB C[C@H](Oc1ccc2c3c(c(=O)oc2c1)CCCC3)C(=O)NC[C@@H](O)c1ccccc1 6660052 YBPCEWKQGBHPHP-YCRPNKLZSA-N 407.466 3.289 0 40 HGAB COc1ccc(S(=O)(=O)Nc2ccccc2N2CCCCC2)cc1NC(C)=O 7056746 LDGDQGKBOUUOOR-UHFFFAOYSA-N 403.504 3.445 0 40 HGAB Cc1cc(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)c(C)n1Cc1ccccc1 7155471 JEQWKMIKKYLIOE-UHFFFAOYSA-N 408.479 3.181 0 40 HGAB NC(=O)C1CCN(C(=O)C(=O)c2c(-c3ccc(Cl)cc3)cc3ccccn23)CC1 7604419 HDSGHMNZGVVNLR-UHFFFAOYSA-N 409.873 3.166 0 40 HGAB CS(=O)(=O)c1cccc(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 8024370 GVEVKEPZSUFPNJ-UHFFFAOYSA-N 412.433 3.071 0 40 HGAB CCOc1ccccc1NC(=O)NCCS(=O)(=O)c1c(C)n(C)c2ccccc12 8808502 XBKFHRMINYESII-UHFFFAOYSA-N 415.515 3.481 0 40 HGAB CC[C@@H](C)NC(=O)Cc1csc(SCC(=O)Nc2ccc(NC(C)=O)cc2)n1 8850392 SQWJKGGWCASLDM-GFCCVEGCSA-N 420.560 3.290 0 40 HGAB O=C(CN1CCC(n2c(=O)[nH]c3ccccc32)CC1)N[C@@H]1CCCc2ccccc21 8918774 FPUYVTOEUXDCFD-HXUWFJFHSA-N 404.514 3.160 0 40 HGAB O=C([C@@H]1CCCN(c2ncnc3[nH]cnc23)C1)N1CCC(Cc2ccccc2)CC1 9059628 DXZSJKYYSWIHOD-LJQANCHMSA-N 404.518 3.051 0 40 HGAB COCCNC(=O)c1cn(Cc2ccc(F)cc2)nc1OCc1ccc(F)cc1 9100938 JTLOLINXSWIKKE-UHFFFAOYSA-N 401.413 3.165 0 40 HGAB CCOC(=O)c1c(SCC(=O)Nc2cccc(Cl)c2Cl)nc(=O)[nH]c1C 10213783 BKICAAZGCOBWJW-UHFFFAOYSA-N 416.286 3.293 0 40 HGAB CC(C)c1cc(C(F)(F)F)n2nc([C@@H]3CCCN3C(=O)CN3CCCC3=O)cc2n1 12230401 NHMYXBWXROWSDI-HNNXBMFYSA-N 423.439 3.157 0 40 HGAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N3C[C@H](C)O[C@@H](C)C3)c2)cc1F 12521449 YQEJCNFUADWKFE-GJZGRUSLSA-N 406.479 3.184 0 40 HGAB COc1cc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(F)cc2)ccc1OCC(N)=O 12561832 QOAOXNZPGWLNSU-JOCHJYFZSA-N 421.428 3.470 0 40 HGAB COc1cc(CC[C@H](O)C[C@H]2c3c(cc4c(c3OC)OCO4)CCN2C)ccc1O 12661120 YFGLNZHQZLOTLC-IRXDYDNUSA-N 415.486 3.051 0 40 HGAB biogenic Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)NCC(=O)NCc1ccco1 12776573 TXWDVSJFCXSBHS-UHFFFAOYSA-N 419.890 3.323 0 40 HGAB CCOc1ccc([C@H](CNC(=O)c2cc(F)cc(F)c2)N2CCOCC2)cc1OC 12802762 ASYNGNMRFLKREQ-IBGZPJMESA-N 420.456 3.175 0 40 HGAB C[C@H](C(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1)N1CCC(O)CC1 13004563 HPXYSSKTIMXCJF-KUHUBIRLSA-N 401.894 3.456 0 40 HGAB CCOC(=O)c1c(NC(=O)[C@H](C)N2C[C@H](C)O[C@H](C)C2)sc2c1CC[C@H](C)C2 14014086 CJWNNNIRFKIZOX-XQLPTFJDSA-N 408.564 3.486 0 40 HGAB C[C@H](Oc1ccc(Cl)cc1)C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 14399151 SDFJAJKABIIMND-HNNXBMFYSA-N 402.878 3.180 0 40 HGAB Cc1nn(C)c2nc(C3CC3)cc(C(=O)NCCc3cnn(-c4ccccc4)c3)c12 14900535 CKBFUKLWVPHNIU-UHFFFAOYSA-N 400.486 3.312 0 40 HGAB COc1cc2nc(CN(C)Cc3ccccc3Br)[nH]c(=O)c2cc1OC 16562673 UKBBZRUNHKUNGQ-UHFFFAOYSA-N 418.291 3.335 0 40 HGAB COc1cc(NC(=S)NC(=O)c2ccco2)ccc1N1C(=O)c2ccccc2C1=O 17092651 CMHPKWXWCIUCRK-UHFFFAOYSA-N 421.434 3.216 0 40 HGAB O=C(C[C@H]1NC(=O)N(C2CCCCC2)C1=O)Nc1nc2c(s1)CCCCCC2 19014965 WPGJQGSXVSAMTC-OAHLLOKOSA-N 404.536 3.384 0 40 HGAB NS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(OCc3ccccc3)cc2)cc1 19169433 ZXULWOQLONNEFN-UHFFFAOYSA-N 410.495 3.484 0 40 HGAB O=C(c1ccco1)N1CCN(C[C@@H](O)Cn2c3ccccc3c3ccccc32)CC1 19287615 QZNOGWXLGHKSCQ-GOSISDBHSA-N 403.482 3.206 0 40 HGAB CCc1nnsc1C(=O)N1CCNC(=O)[C@H](Cc2ccc(-c3ccccc3)cc2)C1 19521878 AZJHPLRMIFNAHN-LJQANCHMSA-N 420.538 3.198 0 40 HGAB CCNC(=O)[C@@]1(Cc2ccc(-c3ccc(F)cc3)cc2)CN(C(=O)C2CC2)CCO1 19529218 KWDKIBULPPIFES-XMMPIXPASA-N 410.489 3.179 0 40 HGAB COc1ccc(CN(Cc2ccnc(N3CCCC3)n2)C[C@H]2CCCO2)c(OC)c1 19552158 FGAYABJJFNUTME-OAQYLSRUSA-N 412.534 3.275 0 40 HGAB Cc1cc(C)cc(O[C@@H](C)C(=O)N2CC[C@H](c3cc(=O)[nH]c(-c4ccccn4)n3)C2)c1 19569663 LGVNOOYKBYGHLF-ROUUACIJSA-N 418.497 3.232 0 40 HGAB COCCC(=O)N1CC[C@](Cc2ccc(-c3ccsc3)cc2)(C(=O)N(C)C)C1 19579933 TWVIMNNQIBEESX-JOCHJYFZSA-N 400.544 3.301 0 40 HGAB CN(C)c1cc(C2CCN(C(=O)COc3ccccc3)CC2)nc(-c2cccnc2)n1 19584461 SJUPSSOBWJNDBY-UHFFFAOYSA-N 417.513 3.390 0 40 HGAB C[C@@H](Nc1ncc(C(=O)N2CCCC2)c(CCNC2CCOCC2)n1)c1ccccc1 19697260 XVFNOMDTVPAMFV-GOSISDBHSA-N 423.561 3.197 0 40 HGAB Cc1nc([C@H]2CCCCN2C(=O)c2ccncc2)ncc1C(=O)NCc1ccccc1 19766412 HIESBNBGIATZAV-OAQYLSRUSA-N 415.497 3.477 0 40 HGAB CCN(c1ccc(OCC(=O)N[C@@H]2CCCc3ccccc32)cc1)S(C)(=O)=O 20030539 KBXQBQWCRMYRRB-HXUWFJFHSA-N 402.516 3.045 0 40 HGAB O=C(C[C@@H]1C(=O)N(C[C@@H]2CCCO2)c2nc3ccccc3n21)Nc1ccc(F)cc1 20103477 AEJFEVDVBWPYAD-QFBILLFUSA-N 408.433 3.271 0 40 HGAB Cn1cccc1[C@H](CNC(=O)c1ccc2c(c1)OCO2)N1CCc2ccccc2C1 21151836 BQICQMWZWGDDQU-NRFANRHFSA-N 403.482 3.283 0 40 HGAB CCOc1ccc(N(CC(=O)N[C@@H](C)c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 22333423 RCUDMSFLRLQNJG-KRWDZBQOSA-N 404.532 3.346 0 40 HGAB COC(=O)c1ccc(Cn2nc(C3CC3)c3cnn(-c4ccccc4C)c3c2=O)o1 22768125 WOHWPZOKNDPRRN-UHFFFAOYSA-N 404.426 3.196 0 40 HGAB Cc1ccc(NC(=O)CN2CCN(CCC(=O)Nc3ccccc3Cl)CC2)cc1 22932448 DRISHEZCHOVQKL-UHFFFAOYSA-N 414.937 3.233 0 40 HGAB COc1ccc(S(=O)(=O)Cc2nc(-c3cccc(Br)c3)no2)cc1 23125809 OYSAALGONUWGDR-UHFFFAOYSA-N 409.261 3.482 0 40 HGAB COc1cccc(NC(=O)[C@@H](C)OC(=O)[C@H](C)NC(=O)c2ccc(Cl)cc2)c1 24757509 CUASNOMHNUHEMD-QWHCGFSZSA-N 404.850 3.037 0 40 HGAB Cc1ccc(CN2C[C@H](C(=O)N3CCCN(Cc4ccccc4)CC3)CC2=O)cc1 26355984 HJDZEAWDUZZLHN-HSZRJFAPSA-N 405.542 3.078 0 40 HGAB O=C(NC[C@H]1CCN(c2ccccc2)C1)[C@@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 27843685 VGYSQCUQLDXTOE-WIYYLYMNSA-N 403.526 3.171 0 40 HGAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21 30758653 AOOJYMWDOMGVHZ-NRFANRHFSA-N 416.543 3.300 0 40 HGAB COc1ccc(Cn2c(C)c3c(=O)n(-c4nc5ccccc5s4)[nH]c3cc2=O)cc1 30822905 HLGMLVFWUUHBDV-UHFFFAOYSA-N 418.478 3.456 0 40 HGAB CCn1c(=O)c(C)nc2cc(C(=O)N(C)Cc3cnn(-c4ccccc4)c3)ccc21 31498049 ZCNPYFHYZBSEIT-UHFFFAOYSA-N 401.470 3.183 0 40 HGAB COc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)O[C@H]2C[C@H](C)OC2=O)cc1 32736677 MSFOSTWYTYVNKI-YWZLYKJASA-N 406.438 3.468 0 40 HGAB COc1cc(CN(C)[C@@H](C(=O)N2CCOCC2)c2ccccc2)ccc1OC(F)F 32751366 XEEGLZVGWXNSCL-HXUWFJFHSA-N 420.456 3.329 0 40 HGAB Cc1cc(C)cc(OCCOC(=O)[C@H]2CCCN(S(=O)(=O)c3cccs3)C2)c1 32776945 OPQDBKPMRRZJQG-KRWDZBQOSA-N 423.556 3.388 0 40 HGAB COc1cccc([C@H](NC(=O)N[C@H](C)c2ccc3c(c2)OCO3)c2nccn2C)c1 32802458 MPVWYRUQWSFXAW-VLIAUNLRSA-N 408.458 3.307 0 40 HGAB O=C(CN1C(=O)COc2ccc(Cl)cc21)N(C[C@H]1CCOC1)c1ccccc1 32827495 KSAXFFUVISQCDB-OAHLLOKOSA-N 400.862 3.135 0 40 HGAB CC(=O)N1C[C@@H](C(=O)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)Oc2ccccc21 32892909 SRMJNBBGPIPRCY-IERDGZPVSA-N 404.470 3.083 0 40 HGAB COc1cccc(CNC(=O)c2csc(Nc3ccc(S(C)(=O)=O)cc3)n2)c1 35596798 WDKKFXYRONXRCM-UHFFFAOYSA-N 417.512 3.229 0 40 HGAB O=C(O)[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)O)cc1 36664996 IKAOYKBYSTULCQ-XSLAGTTESA-N 416.474 3.346 0 40 HGAB COc1ccc(NC(=O)CN2C(=O)NC3(CCC(C(C)(C)C)CC3)C2=O)cc1OC 36708738 QWJPLHNZRNRQRW-UHFFFAOYSA-N 417.506 3.169 0 40 HGAB CCOC(=O)C1=C(CN(C)[C@@H](c2ccccc2)c2ccc(F)cc2)NC(=O)N[C@H]1C 37116071 GOHLCEDCABWBBI-BTYIYWSLSA-N 411.477 3.365 0 40 HGAB COc1ccc(CNC(=O)c2nnn(-c3ccccc3)c2-c2ccncc2)cc1OC 38654472 ATDNYVDCHQSYTD-UHFFFAOYSA-N 415.453 3.277 0 40 HGAB Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)N[C@@H](C)c1cccc(S(N)(=O)=O)c1 48193059 UQHFKUNGFVPVIH-GUYCJALGSA-N 405.520 3.309 0 40 HGAB C[C@@H](C(=O)Nc1ccc(NC(=O)c2cccnc2N2CCCCC2)cc1)n1cncn1 49682583 DSNPADJMRXTTSD-INIZCTEOSA-N 419.489 3.115 0 40 HGAB CN1N=C(C(=O)N[C@H](c2ccccc2)c2ccc(Br)cc2F)CCC1=O 58421589 HQGCHFPYFFMPBK-GOSISDBHSA-N 418.266 3.402 0 40 HGAB CC(C)c1ccc(-c2cc3c(=O)n(CCC(=O)NCc4ccncc4)ccn3n2)cc1 67261041 WGEBTGGOWCZCJS-UHFFFAOYSA-N 415.497 3.388 0 40 HGAB Cc1ccc(NC(=O)CN2C(=O)N[C@@H](c3cc(C)ccc3C)C3=C2COC3=O)c(C)c1 67288730 QODQCQCQKCLVAW-QFIPXVFZSA-N 419.481 3.436 0 40 HGAB CCn1ncc(C(=O)N2CC[C@@H](n3nc(-c4cccs4)ccc3=O)[C@@H](C)C2)c1C 72335404 YXGPZHRVOLNYCW-KBXCAEBGSA-N 411.531 3.220 0 40 HGAB CCN(CC)S(=O)(=O)N1CCC(c2ccc(Nc3ccc(F)cn3)cn2)CC1 72374207 HFIJHSBTMWMBGM-UHFFFAOYSA-N 407.515 3.125 0 40 HGAB COc1ccc([C@H](CC(=O)O)NC(=O)CCCOCc2ccccc2)cc1OC 95424066 HNJZFSZTTFQUMW-SFHVURJKSA-N 401.459 3.333 0 40 HGAB CC(C)(C)[S@@](=O)CCNC(=O)C[C@@](O)(c1nc2ccccc2s1)C(F)(F)F 95958697 UTQUQZXICJUKJI-CHAGWJKLSA-N 422.494 3.100 0 40 HGAB Cc1ccc(-c2ocnc2C(=O)OC[C@H]2CN(C(=O)OC(C)(C)C)CCO2)cc1 96013321 NNLHUHGLHLFIKB-MRXNPFEDSA-N 402.447 3.443 0 40 HGAB CNC(=O)C[C@H]1CC2(CCN(C(=O)COc3ccccc3)CC2)Oc2ccccc21 96079963 LEQSUIOYEQTQIS-SFHVURJKSA-N 408.498 3.129 0 40 HGAB COc1ccc(Br)c(C(=O)Nc2ccccc2-c2ccc(=O)n(C)n2)c1 96097800 WDBNCENSOHBFJE-UHFFFAOYSA-N 414.259 3.471 0 40 HGAB CCN(CC)CCC[C@H](C)NC(=O)c1cc2c(=O)n3cccc(C)c3nc2s1 96347308 FKLHYZVMQZYCSV-HNNXBMFYSA-N 400.548 3.458 0 40 HGAB C[C@@H]1[C@@H](NC(=O)c2cccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)c2)CCC[C@H]1C 195544609 VQDDBDIDHFCTEY-PANQXIRQSA-N 408.564 3.039 0 40 HGAB CN1CCC(Oc2ccc(NC(=O)c3cccc(CN4CCOCC4)c3)cc2)CC1 219249734 JIVFVHOVZNNHMD-UHFFFAOYSA-N 409.530 3.244 0 40 HGAB COC(=O)C1CCN(C(=O)C2CCN(Cc3ccc(Br)cc3)CC2)CC1 219422585 AXFCXZDQDHXTRV-UHFFFAOYSA-N 423.351 3.073 0 40 HGAB Cc1ccc(OC[C@H](C)NC(=O)c2ccc(CS(=O)(=O)N3CCCC3)cc2)cc1 219966950 CHENFFBLRSDHNS-SFHVURJKSA-N 416.543 3.118 0 40 HGAB Cc1ccccc1N(CCCC(=O)NCCCN(C)c1ccccc1)S(C)(=O)=O 222564363 NQYZJYATECLBIJ-UHFFFAOYSA-N 417.575 3.184 0 40 HGAB Cc1ccccc1-c1cc(NS(=O)(=O)c2cc3oc(=O)n(C)c3cc2Cl)n[nH]1 223350466 ZDVBTYIWOKNOCQ-UHFFFAOYSA-N 418.862 3.284 0 40 HGAB CCOC(=O)c1ccc(C)c(NS(=O)(=O)c2cc(C(=O)OC)ccc2Cl)c1 223842172 WSOQTEUDOOVBRG-UHFFFAOYSA-N 411.863 3.413 0 40 HGAB CS(=O)(=O)N(CCCC(=O)NCCc1ccc(Cl)cc1)c1ccccc1F 224752261 SLLNCWCFMBDREM-UHFFFAOYSA-N 412.914 3.384 0 40 HGAB Cc1cc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)ccc1F 225602317 LEHZOXOPBIAROK-UHFFFAOYSA-N 412.508 3.110 0 40 HGAB S=C(Nc1nc(N2CCCCC2)cc(N2CCc3ccccc3C2)n1)NC1CC1 226003162 QELWWCTYXFYIOS-UHFFFAOYSA-N 408.575 3.478 0 40 HGAB Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccoc2)N2CCSCC2)cc1Cl 253405948 TZMOFVZKJXRLOO-QGZVFWFLSA-N 407.923 3.086 0 40 HGAB Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCCC[C@H]4C)nc(O)c32)cc1C 253562070 CUSWWPCOKVHGEX-GDBMZVCRSA-N 409.490 3.242 0 40 HGAB O=C(c1cc(-c2ccccc2)n[nH]1)N1CCC[C@](O)(CN2CCC(F)(F)CC2)CC1 257262279 LKUNWAMUQXQQDK-OAQYLSRUSA-N 418.488 3.165 0 40 HGAB CCc1noc(C)c1C(=O)N1CCC(COc2ccc(Cl)cc2)(CC(N)=O)CC1 257316634 VGKGYASVPVTSKR-UHFFFAOYSA-N 419.909 3.376 0 40 HGAB CCOCCCNC(=O)c1nc([C@H]2CCCN2C(=O)c2ccccc2)n2ccccc12 306134100 NDMGTQBTVULKTE-HXUWFJFHSA-N 420.513 3.468 0 40 HGAB CCN(CC)C(=O)Nc1ccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1 408597302 YMXGWQIQKNLYTG-UHFFFAOYSA-N 416.547 3.071 0 40 HGAB COC(=O)CN1C(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccccc1OC 409060737 XJCOJTAPSGKQRJ-WJDWOHSUSA-N 416.886 3.496 0 40 HGAB O=C(COc1ccc(F)cc1Cl)Nc1ccccc1-n1ncc2c(O)ncnc21 515195658 NCHRVKQGCGLXTD-UHFFFAOYSA-N 413.796 3.331 0 40 HGAB OC[C@H]1[C@H](O)C[C@@H](NCc2ccccc2Cl)[C@@H]1Cc1ccnc(-c2ccccc2)n1 604382302 NOSIWKOILCOGMQ-OHUMZHCVSA-N 423.944 3.487 0 40 HGAB biogenic,in-vitro COc1ccc(S(=O)(=O)N2CCC(COc3ccncc3Cl)CC2)cc1F 1889218766 GSQIPRALGLTEFG-UHFFFAOYSA-N 414.886 3.362 0 40 HGAB O=C1CO[C@@]2(CCN(Cc3cnc(-c4ccccc4)nc3)C2)CN1c1cccc(F)c1 2037989101 VQMHWQBDXTXGHS-XMMPIXPASA-N 418.472 3.291 0 40 HGAB CCOc1ccccc1N(CC(=O)NCc1ccco1)S(=O)(=O)c1ccccc1 869372 BSNAIGGNJAGXIO-UHFFFAOYSA-N 414.483 3.190 0 40 HGAB CCOc1ccccc1-n1c(COc2ccc(CC)cc2)nnc1SCC(N)=O 904886 BMBCXWOTROSOEN-UHFFFAOYSA-N 412.515 3.385 0 40 HGAB CS(=O)(=O)N(CC(=O)Nc1ccc2c(c1)OCO2)c1cccc(Cl)c1Cl 916274 FHCQYLKPXRUWIN-UHFFFAOYSA-N 417.270 3.127 0 40 HGAB Cc1cc(C)n(C(=O)CSc2nnc(SCC(=O)n3nc(C)cc3C)s2)n1 1655006 MBFWVUNREPVRJW-UHFFFAOYSA-N 422.561 3.030 0 40 HGAB CC(C)[C@H]1N=C2c3ccccc3N=C(SCc3cc(=O)n4ccccc4n3)N2C1=O 2965405 YXMIJFMBCUFLES-LJQANCHMSA-N 417.494 3.242 0 40 HGAB COc1ccc(-c2nnc(S[C@@H](C)C(=O)NCc3ccc4c(c3)OCO4)o2)cc1 4470270 FFVWCWRGLUZNFH-LBPRGKRZSA-N 413.455 3.271 0 40 HGAB COc1ccc([C@H]2CC(=O)N(c3cccc(F)c3)C3=C2C(=O)OC3)c(OC)c1OC 4944699 FMNCPEFMCFKCIL-OAHLLOKOSA-N 413.401 3.183 0 40 HGAB Cc1ccn2nc(C(=O)Nc3nn4cc(-c5ccc(Cl)cc5)nc4s3)nc2n1 5267677 IMKZEEUPLDYFHJ-UHFFFAOYSA-N 410.850 3.110 0 40 HGAB CCN(Cc1ccc2c(c1)OCO2)C(=O)CSc1nnc(C2CC2)n1C1CC1 7550784 AEVDDHORLFLHKV-UHFFFAOYSA-N 400.504 3.360 0 40 HGAB CCOc1ccc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3CC)C2=O)cc1OC 8088175 LXJQGDITTFOJLN-LDADJPATSA-N 423.469 3.188 0 40 HGAB O=C(Nc1ccccc1N1CCOCC1)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 8156304 VDUIAXRURVDODI-GOSISDBHSA-N 408.502 3.406 0 40 HGAB CCOC(=O)C1=C(COC(=O)CCc2ccsc2)NC(=O)N[C@@H]1c1ccccc1 8314906 OJIOLBIKYTZSQT-LJQANCHMSA-N 414.483 3.095 0 40 HGAB Cc1cc(C(=O)CSc2nnc(CN3CCCC3)o2)c(C)n1C[C@H]1CCCO1 8394616 JAERSSSWCWSHHE-MRXNPFEDSA-N 404.536 3.238 0 40 HGAB COc1ccc(OC)c(NC(=O)COC(=O)CCC(=O)Nc2cccc(Cl)c2)c1 8413992 LGUGUZBZWQTZPG-UHFFFAOYSA-N 420.849 3.258 0 40 HGAB C[C@H](NC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1)c1ccc(-n2cncn2)cc1 8751430 LLQOLCNPHVIGRW-HKUYNNGSSA-N 418.501 3.389 0 40 HGAB COc1ccc([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2ccc(F)cc2)c(OC)c1 9360597 NNJLIOHFOIZLAM-SFHVURJKSA-N 401.463 3.274 0 40 HGAB Cc1ccc(CN(CCc2ccccc2)C(=O)Cn2nnc3ccccc3c2=O)s1 9387945 NGZMSUSNZCTAHZ-UHFFFAOYSA-N 418.522 3.433 0 40 HGAB CC(C)Nc1nnc(SCC(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)s1 9724262 VCHOUTVERZVASN-UHFFFAOYSA-N 409.581 3.245 0 40 HGAB Cc1cccc(-n2c(-c3ccc(F)cc3)cn3c4c(=O)n(C)c(=O)n(C)c4nc23)c1C 10104604 FPCMMZUPFWDJPL-UHFFFAOYSA-N 417.444 3.099 0 40 HGAB Cc1nc(NC(=O)c2cc(-c3ccccc3)n([C@@H]3CCS(=O)(=O)C3)n2)sc1C 11998567 OZKYENGIIPPDOH-OAHLLOKOSA-N 416.528 3.235 0 40 HGAB CC(C)c1ccc(NC(=O)c2ccc(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)cc2)cc1 12029693 YVQORVXLRMXIBC-LJQANCHMSA-N 421.540 3.023 0 40 HGAB Cc1ccccc1Cn1cnc2c(cnn2CCNC(=O)c2cccc(Cl)c2)c1=O 12072112 XUUVDMVJZOGXKL-UHFFFAOYSA-N 421.888 3.033 0 40 HGAB CCOc1cccc2cc(C(=O)Nc3c(C)nc4ccc(C)cn4c3=O)c(=O)oc12 12180790 IQJBKYQVMOYCEE-UHFFFAOYSA-N 405.410 3.069 0 40 HGAB Cc1ccc2c(c1)C(=O)C[C@@H]([C@H]1CCCN(C(=O)c3cc(-c4cnn(C)c4)on3)C1)O2 12237133 BZUBXCWZJVNMSE-BTYIYWSLSA-N 420.469 3.270 0 40 HGAB COc1ccc(CCC(=O)N2CCC([C@@H](NC(C)=O)c3nccs3)CC2)cc1 12365726 ZXBXJRDDLHJQST-HXUWFJFHSA-N 401.532 3.200 0 40 HGAB Cn1ccnc1[C@H](NC(=O)CNC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 12559907 LGHAABIGOCRLGG-GOSISDBHSA-N 417.296 3.363 0 40 HGAB COC(=O)c1cc(Br)ccc1NC(=O)c1cc(C)nc2c1c(C)nn2C 12849357 SXPFRBFWGUYDSZ-UHFFFAOYSA-N 417.263 3.387 0 40 HGAB CCOC(=O)Cc1nnc(SCC(=O)Nc2ccc(C)cc2)n1Cc1ccccc1 12850505 KOLHVVOWEKULQV-UHFFFAOYSA-N 424.526 3.471 0 40 HGAB CC[C@@H]1CCc2nc3sc(C(=O)NCC(=O)O)c(N)c3c(C(F)(F)F)c2C1 12858030 FEVRTWJJTBZBHO-SSDOTTSWSA-N 401.410 3.227 0 40 HGAB NS(=O)(=O)c1ccc(C(=O)NCc2ccc(Oc3ccc(F)cc3)cc2)cc1 12926110 IEELBMRTFXFDNY-UHFFFAOYSA-N 400.431 3.195 0 40 HGAB CN(C(=O)CN1C(=O)N[C@@](Cc2ccccc2)(c2ccccc2)C1=O)c1ccccc1 13063303 DTDUAQJKSCOOCI-VWLOTQADSA-N 413.477 3.339 0 40 HGAB COc1ccc(F)cc1S(=O)(=O)N(C)CC(=O)Nc1cccc2ccccc12 13580964 WQDLDEVNAHGNOO-UHFFFAOYSA-N 402.447 3.247 0 40 HGAB CC[C@H](C(=O)NCCc1ccc(OC)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O 13712193 XXKFNFPSZOHISQ-LJQANCHMSA-N 424.950 3.252 0 40 HGAB COc1ccc(CCc2nnc3sc(-c4ccc5c(c4)OCO5)nn23)cc1OC 13723619 WOZKXYHYBDCAHA-UHFFFAOYSA-N 410.455 3.384 0 40 HGAB COc1ccc(CNC(=O)CCCN(c2cc(C)ccc2C)S(C)(=O)=O)cc1 14400186 QRUGFVVMZBXLBB-UHFFFAOYSA-N 404.532 3.175 0 40 HGAB Cc1ccc(C)c(-n2ccnc2SCC(=O)OCC(=O)c2ccc(O)cc2O)c1 18336635 RYZVFEITMSCGNF-UHFFFAOYSA-N 412.467 3.419 0 40 HGAB Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)N1CCCC[C@@H]1C)CC1(CCOCC1)O2 19218639 KRWZBJSVUNHMCN-ZWKOTPCHSA-N 400.519 3.168 0 40 HGAB Cc1cccc(C2(CNC(=O)c3cnc(N4CCC(C)CC4)nc3)CCOCC2)c1 19234560 GHYMOVZTVWGVKN-UHFFFAOYSA-N 408.546 3.500 0 40 HGAB CCOc1cc([C@@H](c2c(O)n[nH]c2C)c2c(C)n[nH]c2O)cc(Br)c1O 19812094 YLKFFIGDKWMSKX-UHFFFAOYSA-N 423.267 3.208 0 40 HGAB Cc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)c(C)c1 19931268 PTQBTFHPRJBDHF-IBGZPJMESA-N 402.560 3.416 0 40 HGAB CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NC(C)C)cc1Cl 22269277 LYUIAGUZPGRBJP-GOSISDBHSA-N 424.950 3.153 0 40 HGAB O=C(/C=C/c1cnn(-c2ccccc2)c1)N[C@H](CN1CCOCC1)c1ccccc1 22955596 IDYRMEPDLXOKKP-HRBBJJPOSA-N 402.498 3.075 0 40 HGAB CCOC(=O)C1CCN([C@@H](c2ccccc2)c2sc3nc(C)nn3c2O)CC1 23156770 SFEOWDFNRFURBR-INIZCTEOSA-N 400.504 3.169 0 40 HGAB CCOc1ccc(N2C[C@@H](C(=O)Nc3ccccc3C(=O)NC(C)C)CC2=O)cc1 27233125 VMHKTOXVPWKEGV-INIZCTEOSA-N 409.486 3.215 0 40 HGAB CCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1cnc2c(cnn2C(C)C)c1 31175340 RLWLMDVLNNGKQA-UHFFFAOYSA-N 401.417 3.391 0 40 HGAB Cc1ccccc1OCCOC(=O)c1cc(S(=O)(=O)Nc2ccccc2F)c[nH]1 32933243 UZGUZSNSHJWSLA-UHFFFAOYSA-N 418.446 3.499 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(F)cc3F)CC2)cc1C 35167737 QHJGPTXECRWZAX-UHFFFAOYSA-N 424.469 3.321 0 40 HGAB CCOC(=O)c1c(NC(=O)CN2CCN(c3ccc(F)cc3)CC2)sc(C)c1C 35604292 UIHDONGTLCXXPQ-UHFFFAOYSA-N 419.522 3.441 0 40 HGAB CC(=O)Nc1ccccc1OCc1noc(C(=O)NCCc2c[nH]c3ccccc23)n1 36359425 XEAMNVIEAVQMTD-UHFFFAOYSA-N 419.441 3.061 0 40 HGAB Cc1cc(C)cc(NCCC(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)c1 39975785 QEXRPWYHXOKLDO-UHFFFAOYSA-N 412.509 3.027 0 40 HGAB CNS(=O)(=O)Cc1ccc(CNC(=O)Nc2cc(Cl)ccc2Cl)cc1 40095826 OIZQQSWMJFYEPC-UHFFFAOYSA-N 402.303 3.364 0 40 HGAB O=C(CN1CCN(C(=O)Nc2ccccc2Cc2ccccc2)CC1)N1CCCC1 40098907 VGNDOZPICORWMC-UHFFFAOYSA-N 406.530 3.049 0 40 HGAB CC(C)[C@H](CNC(=O)Cc1cc2ccccc2[nH]c1=O)N1CCc2ccccc2C1 40108714 WEJQGGKTVFFGTQ-QHCPKHFHSA-N 403.526 3.270 0 40 HGAB O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cccnc1N1CCCCC1 40128318 YDGJXCAKZRIDFA-UHFFFAOYSA-N 414.531 3.109 0 40 HGAB CN(CCOc1ccc(Br)cc1)CCc1nc2ccccc2c(=O)[nH]1 40154888 IFLNTWKUXUHHGR-UHFFFAOYSA-N 402.292 3.239 0 40 HGAB Cc1nc2c(-c3ccco3)nc(=O)n(CC(=O)N3CCCc4ccccc43)c2s1 41105068 OBKDYOASCIMPJM-UHFFFAOYSA-N 406.467 3.401 0 40 HGAB CC[C@H](NC(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1)c1ccccc1 44935493 YLRDLQWMLHDTAV-YJBOKZPZSA-N 408.907 3.135 0 40 HGAB CCOc1ccc([C@@H](C)NC(=O)Nc2ccc(N3CCOCC3)nc2)cc1OC 48082906 QSINEIAAALSOPL-OAHLLOKOSA-N 400.479 3.208 0 40 HGAB O=C(Cn1nc(-c2ccc(Br)cc2)ccc1=O)NCc1cccc(F)c1 49550528 KKRYRZRUNBZHQK-UHFFFAOYSA-N 416.250 3.128 0 40 HGAB O=C(CSc1nc2[nH]ncc2c(=O)n1-c1ccccc1)Nc1cccc(Cl)c1 51316709 ZENSNPBTMVTFIB-UHFFFAOYSA-N 411.874 3.493 0 40 HGAB COc1ccc(CNC(=O)[C@@H]2CC(=O)N(c3ccc(F)c(Cl)c3)C2)cc1OC 57416453 LNKUDDNMWOXDBR-CYBMUJFWSA-N 406.841 3.166 0 40 HGAB Cc1cc(C)cc(-n2c(=O)c3sccc3n(CC(=O)N3CCCC[C@H]3C)c2=O)c1 57492170 OXZOFNMLEKFBEO-MRXNPFEDSA-N 411.527 3.232 0 40 HGAB CCc1ccc(-n2c(O)nc3nc(NCc4cc(F)cc(F)c4)ncc3c2=O)cc1 67263581 UACAXHSNWFAVOC-UHFFFAOYSA-N 409.396 3.334 0 40 HGAB CCNC(=O)N1CCc2c(cccc2-n2nnc(C(=O)Nc3ccc(F)cc3)c2C)C1 69921571 MPZYPLLREFNNFU-UHFFFAOYSA-N 422.464 3.055 0 40 HGAB COc1cc(C)c(C)cc1S(=O)(=O)NC[C@@H](O)c1ccc(C(F)(F)F)cc1 70640139 LEEGREIJQKHCQU-OAHLLOKOSA-N 403.422 3.343 0 40 HGAB CCOC(=O)[C@@H]1CCCN(C(=O)CCc2csc(NC(=O)c3cccs3)n2)C1 70655559 IUUPCAHMYSRDIR-CYBMUJFWSA-N 421.544 3.191 0 40 HGAB Cc1ccc(F)cc1NC(=O)c1nnn(CC(=O)Nc2cc(F)ccc2F)c1C 71327076 ORDSQIKZCPTZJG-UHFFFAOYSA-N 403.364 3.203 0 40 HGAB CCCN1CCC2(CC1)OC[C@H](C(=O)O)N2C(=O)c1ccc(-c2ccccc2)cc1 71980326 VGOKGGJEMONONW-OAQYLSRUSA-N 408.498 3.481 0 40 HGAB CCC[C@H]1CCN(C(=O)CN(Cc2ccco2)S(=O)(=O)c2ccc(C)cc2)C1 72305517 YQGHHWDZHYALEW-SFHVURJKSA-N 404.532 3.428 0 40 HGAB C[C@]12CC[C@H](C[C@@H]1C(=O)N=c1[nH]c3ccccc3[nH]1)[C@]1(C2)NC(=O)c2ccccc2N1 72326542 FPWPNNGXSLFXEC-LFPBVHJESA-N 415.497 3.301 0 40 HGAB Cc1sc2nc(C(C)C)n([C@H]3CCCN(CC(=O)NC(C)C)C3)c(=O)c2c1C 72347711 MBTPQZQMPWDIOY-INIZCTEOSA-N 404.580 3.360 0 40 HGAB CCN(CC)C(=O)CN(C)c1nc(C(F)(F)F)ccc1I 95437083 XHRGOSSMKAYCEA-UHFFFAOYSA-N 415.197 3.010 0 40 HGAB O=C(CCN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)Nc1ncc(Cc2ccccc2)s1 100774939 SKDHZAYQFFINGS-STEAMIEHSA-N 409.511 3.094 0 40 HGAB COc1cccc(C2=NO[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C(=O)c2ccco2)c1OC 102870812 FIIIYFZIQSCGIP-FDDCHVKYSA-N 418.405 3.378 0 40 HGAB Cc1cccc(N(CCCC(=O)NCCSC(C)(C)C)S(C)(=O)=O)c1C 113962443 PDDRYQLNVHGJAE-UHFFFAOYSA-N 400.610 3.498 0 40 HGAB C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](c3ccc(=O)oc3)[C@@H](O)[C@@H]3O[C@]312 118940808 IXZHDDUFQVXHIL-PBAHDFKSSA-N 400.515 3.229 0 40 HGAB biogenic CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)N1CCC[C@@H](c2nnc3ccccn23)C1 195540388 RPKPIMQWCUEOQW-FBBABVLZSA-N 419.529 3.280 0 40 HGAB CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N1CCC[C@@H](c2nnc3ccccn23)C1 195540394 RPKPIMQWCUEOQW-DSKINZAPSA-N 419.529 3.280 0 40 HGAB Cc1cc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)ccc1N(C)S(C)(=O)=O 222475280 KAUILMXJHMICIU-UHFFFAOYSA-N 421.950 3.007 0 40 HGAB COCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(C(=O)O)cc1 223022932 URQXDIIDKGYQJY-PMACEKPBSA-N 422.510 3.189 0 40 HGAB C[C@@H](NC(=O)CN(Cc1ccccc1Cl)S(C)(=O)=O)c1ccc2c(c1)CCC2 223253554 HRPDQTCSPPJSFG-OAHLLOKOSA-N 420.962 3.468 0 40 HGAB COc1ccccc1-n1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1CCCO 223609284 GQKFOWCXXXCXJX-SFTDATJTSA-N 408.527 3.236 0 40 HGAB CC[C@@H](C)NC(=O)c1ccccc1NS(=O)(=O)c1ccc(Cl)c(C(=O)OC)c1 223829454 CFMAUHAFZANPLT-GFCCVEGCSA-N 424.906 3.456 0 40 HGAB CCC[C@@H](C)NC(=O)c1ccc(CN(C)S(=O)(=O)c2ccc(OC)cc2)cc1 224440161 BSSXOQYDCRYSHT-MRXNPFEDSA-N 404.532 3.434 0 40 HGAB COc1ccc(C)cc1N(CC(=O)N[C@@H](C)C(C)C)S(=O)(=O)c1ccccc1 225187896 WFROJARRDBFJBY-KRWDZBQOSA-N 404.532 3.360 0 40 HGAB Cc1nc2c(c(N3CCC(NC(=O)c4ccc(C(F)(F)F)nc4)CC3)n1)CCCC2 225738984 VTKDHFVBSPJOFJ-UHFFFAOYSA-N 419.451 3.476 0 40 HGAB C[C@H]1C[C@@H](C)CN(c2cc(N3CCOCC3)nc(NC(=S)NC3CCCC3)n2)C1 226005668 BWHPUJVLIDNJAB-IYBDPMFKSA-N 418.611 3.025 0 40 HGAB COc1cccc(CNC(=O)[C@@H]2[C@@H]3CC[C@]4(CC(=O)c5ccccc5O4)[C@H]32)c1OC 248155770 YYNWUEYAZSSTND-GGWAELBDSA-N 407.466 3.380 0 40 HGAB Cc1cc(-c2cn(C)nc2[C@H]2CC[C@H](CNC(=O)c3snnc3C)CC2)on1 257289195 PXLIFYQHINPTOA-HDJSIYSDSA-N 400.508 3.247 0 40 HGAB O=C1N(Cc2ccccc2)C[C@@]2(F)CN(Cc3ccc(Br)o3)C[C@@]12F 306144958 ZTIIDCDHWAGOAJ-ZWKOTPCHSA-N 411.246 3.317 0 40 HGAB CC1=C(C(N)=O)[C@H](c2ccccc2)NC(SCC(=O)Nc2cc(C)cc(C)c2)=N1 408990623 OGFZDWJXXSPSAP-FQEVSTJZSA-N 408.527 3.435 0 40 HGAB Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N2CCC(C)CC2)cc1 409002804 AWMWJBPVSGGLDO-UHFFFAOYSA-N 414.571 3.487 0 40 HGAB CSCC[C@@H](NC(=O)[C@H]1CCCN(c2ncccn2)C1)c1nc2ccccc2n1C 504698912 NRGCJIKFNRXEMU-FUHWJXTLSA-N 424.574 3.190 0 40 HGAB O=C(c1cn(Cc2ccccc2)nn1)N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 542987442 JZORBRUXSVNASH-HNNXBMFYSA-N 404.396 3.019 0 40 HGAB COc1cc(OC)cc(C(=O)N2CCC3(CC2)CO[C@@H](CN2CCC[C@@H](C)C2)C3)c1 585104888 VVCICVFJPCKLQH-XMSQKQJNSA-N 416.562 3.447 0 40 HGAB O=C(Nc1ccc2c(c1)C(=O)NCC2)c1cccc(CS(=O)(=O)c2ccccc2)c1 604969858 WNNFKNRLWVAKAB-UHFFFAOYSA-N 420.490 3.199 0 40 HGAB O=C(Nc1ccc(S(=O)(=O)Nc2nncs2)cc1)c1ccsc1Cl 1630775552 MGZLOQHUIZQSQW-UHFFFAOYSA-N 400.894 3.306 0 40 HGAB CN1C(=O)c2ccc(S(=O)(=O)N3CCCc4cc(C(C)(C)C)ccc43)cc2C1=O 1654634027 MNGJWHXSFVIFQP-UHFFFAOYSA-N 412.511 3.351 0 40 HGAB CS(=O)(=O)c1ccc(CCC(=O)NC[C@H](O)c2cc(-c3ccco3)cs2)cc1 1775967734 AVPXAVIOHCHYJX-KRWDZBQOSA-N 419.524 3.194 0 40 HGAB Cc1c(Cl)cccc1NC(=O)C(=O)NCCc1ccc(-c2cnn(C)c2)s1 1889229403 BMBBFGZACSIJBP-UHFFFAOYSA-N 402.907 3.408 0 40 HGAB COc1ccccc1[C@@H](C)NC(=O)Cn1cnc2cc(Br)ccc2c1=O 78808749 RYTAJZYYYIEQBD-GFCCVEGCSA-N 416.275 3.045 0 40 HGAB O=C(NC1CCCC1)[C@@H](c1ccncc1)N(C(=O)c1csnn1)c1ccccc1 4857836 NMTUQILWNGKTGJ-LJQANCHMSA-N 407.499 3.380 0 40 HGAB COc1cc(NC(=O)c2cccs2)c(C(=O)OCc2nnc(C)o2)cc1OC 7183269 BHORMKAGHFQZAJ-UHFFFAOYSA-N 403.416 3.066 0 40 HGAB CCc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3cccc(Cl)c3)CC2=O)cc1 8085789 KNICDNMHVLKFCS-OAHLLOKOSA-N 400.862 3.437 0 40 HGAB CC(=O)c1cccc(S(=O)(=O)NCCC(=O)Nc2nc3c(C)cccc3s2)c1 23244052 XWLSBQFEYHLHIB-UHFFFAOYSA-N 417.512 3.114 0 40 HGAB Cc1cnc(C(=O)Nc2ccc(S(=O)(=O)N[C@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)cc2)cn1 104748650 PDSHEVHHSRORCH-DRMAHVMPSA-N 414.531 3.140 0 40 HGAB CCCNS(=O)(=O)c1cc(C(=O)Nc2cc(Cl)ccc2OC)ccc1OC 9063895 VLXJYYXQJNDRPE-UHFFFAOYSA-N 412.895 3.298 0 40 HGAB COc1ccc(-c2noc([C@@H]3CC(=O)N(c4ccc5c(c4)OCO5)C3)n2)c(OC)c1 12416026 FAEAVVUFCBXKQE-GFCCVEGCSA-N 409.398 3.003 0 40 HGAB CCOC(=O)c1cc2cc(NC(=O)N3CCN(c4ncccn4)CC3)ccc2s1 58149375 RGBSPCNMFIEASW-UHFFFAOYSA-N 411.487 3.222 0 40 HGAB C[C@@H]1CCCN(S(=O)(=O)NC2CCN(Cc3cccc(C(F)(F)F)c3)CC2)C1 56124618 SPMJJODZROVYCG-OAHLLOKOSA-N 419.513 3.236 0 40 HGAB CCCCN(C)C(=O)Cn1c(=O)n(-c2ccc(Cl)cc2)c(=O)c2sccc21 57491772 GIIRRZJJHSULLY-UHFFFAOYSA-N 405.907 3.126 0 40 HGAB CCC(C)(C)NC(=O)c1ccc(NC(=O)C[C@H]2SC(N3CCCC3)=NC2=O)cc1 57681488 FZHFOTYGGWUWKB-MRXNPFEDSA-N 416.547 3.027 0 40 HGAB CCOC(=O)c1c(NC(=O)Cn2cc(C(F)(F)F)ccc2=O)sc(C)c1C 3268661 JFQKSSBWIPFPCH-UHFFFAOYSA-N 402.394 3.361 0 40 HGAB O=C1c2oc3ccc(Br)cc3c(=O)c2[C@@H](c2cccc(F)c2)N1CCO 2405047 WODPHXPXBKKHSB-MRXNPFEDSA-N 418.218 3.232 0 40 HGAB C[C@H](Sc1nnc(-c2cccnc2)n1N)C(=O)Nc1ccc(Cl)cc1Cl 3323031 SMBVVCZJVUNLGC-VIFPVBQESA-N 409.302 3.480 0 40 HGAB O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1C[C@@H](O)COc1ccc(F)cc1 12847917 XMZGMIFZJWNUIH-HXUWFJFHSA-N 420.440 3.061 0 40 HGAB CCc1ccccc1Nc1nc(N)nc(CSc2nnnn2-c2ccccc2)n1 3545029 MBFJYJDDUBMFET-UHFFFAOYSA-N 405.491 3.028 0 40 HGAB CC(=O)N1CCc2cc(NC(=O)CN(Cc3cccs3)C[C@H]3CCCO3)ccc21 12920152 LXHXCVMZBCFGCB-LJQANCHMSA-N 413.543 3.277 0 40 HGAB C[C@H]1C(=O)N(C[C@@H](O)COc2cccc(Br)c2)C(=O)N1c1ccccc1 12982510 GXWCGZOJEHMJNJ-XJKSGUPXSA-N 419.275 3.046 0 40 HGAB CCCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2cccc(NC(C)=O)c2)C1=O 13097253 KFAZRLXRMYVHCS-HSZRJFAPSA-N 422.485 3.221 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc([C@H](C)NCC(=O)Nc2ccc(F)cc2)cc1 13038334 YMBDSNMFWKAYSE-HNNXBMFYSA-N 407.511 3.146 0 40 HGAB COc1cccc(NC(=O)Cn2cnc3c(oc4nc5c(cc43)CCCC5)c2=O)c1 13207174 FEPBGXIHDFJTKR-UHFFFAOYSA-N 404.426 3.064 0 40 HGAB O=C(Nc1ccc(-n2nccn2)cc1)c1ccc(F)cc1I 49759700 LSWPRUSSXSKATG-UHFFFAOYSA-N 408.174 3.263 0 40 HGAB O=C(c1ccc(Cl)cc1)[C@@H]1[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@H]2CCCN12 5321594 UPVXRZXAZJOAQF-MKXGPGLRSA-N 412.848 3.314 0 40 HGAB O=C(Cc1ccccc1)N[C@]1(C(F)(F)F)N=C(O)N(c2ccccc2Cl)C1=O 8990438 GPZJUCFGIYPBGS-KRWDZBQOSA-N 411.767 3.218 0 40 HGAB C[C@@H](SCc1cccc(S(=O)(=O)N(C)C)c1)C(=O)Nc1c(F)cccc1F 14249682 LJTKUJGMXGXYJQ-GFCCVEGCSA-N 414.499 3.476 0 40 HGAB Cc1cc(C)cc(-n2ncc3c(OCC(=O)Nc4ccc5c(c4)OCO5)ncnc32)c1 6589565 RTSUJQYBKVGTQU-UHFFFAOYSA-N 417.425 3.179 0 40 HGAB CC1CCC2(CC1)NC(=O)N(CC(=O)NCCc1ccc(Cl)cc1Cl)C2=O 6542727 STSGRYQMMZCKDT-UHFFFAOYSA-N 412.317 3.153 0 40 HGAB COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)NCc2ccccc2)cc1 6578435 SPGQYXUGJXYMEJ-UHFFFAOYSA-N 410.495 3.450 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc(NC(C)=O)cc2)c1 6510088 CQUJWOLMYSPLGS-UHFFFAOYSA-N 407.467 3.067 0 40 HGAB CCn1c(SCC(=O)NC(=O)C2CCCCC2)nnc1-c1cccc(OC)c1 6541540 AGYOFOFUDUXMJN-UHFFFAOYSA-N 402.520 3.289 0 40 HGAB Cc1cc(O[C@@H](C)C(=O)NCCCn2ccnc2)c2c3c(c(=O)oc2c1)CCCC3 6659665 SVQWOTNNPUMBML-INIZCTEOSA-N 409.486 3.151 0 40 HGAB CCc1nnc2n1N[C@@H](c1ccc(F)cc1)[C@@H](C(=O)Nc1cccc(OC)c1)S2 6812119 GCKOGNXJWZKEHJ-ROUUACIJSA-N 413.478 3.386 0 40 HGAB COc1ccc(-c2nc(C)cc(=O)n2CC(=O)NCc2ccc(F)c(Cl)c2)cc1 67198658 DULTWQDARIWIKZ-UHFFFAOYSA-N 415.852 3.336 0 40 HGAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CCSc1ccc(F)cc1 5936476 GJLSZFWWQXWMFN-UHFFFAOYSA-N 412.508 3.206 0 40 HGAB Cc1ccc2c(c1)N(C(=O)CSc1nc3cc(C)[nH]c3c(=O)n1C(C)C)CCO2 67236056 JIBRZSPQNGMXGY-UHFFFAOYSA-N 412.515 3.440 0 40 HGAB O=C(CN1CCC[C@H]1c1ccc2c(c1)OCCO2)Nc1ccccc1C(=O)NC1CC1 9575979 OWPNPVTXBYZOCK-FQEVSTJZSA-N 421.497 3.126 0 40 HGAB CNC(=O)c1ccc(OC)c(NC(=O)N(C)Cc2ccccc2Br)c1 97359667 SXIDGVWGFSFQIH-UHFFFAOYSA-N 406.280 3.481 0 40 HGAB COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N2CCC(C(=O)c3ccc(O)cc3)CC2)c1C 72236018 UAQZIYDHPZPAPS-OAHLLOKOSA-N 412.486 3.290 0 40 HGAB CS(=O)(=O)c1ccc(-n2nnnc2CNc2c(F)cc(Cl)cc2Cl)cc1 95452530 RFZVPVNOOVOFTG-UHFFFAOYSA-N 416.265 3.124 0 40 HGAB O=C1Nc2ccccc2S[C@@H]1Nc1cccc(S(=O)(=O)N2CCCCC2)c1 89865657 ZJPYWTYYAMCDKQ-IBGZPJMESA-N 403.529 3.344 0 40 HGAB COc1ccc(CN(C)[C@@H](C)c2nc(N)nc(Nc3ccccc3)n2)c(OC)c1OC 24716621 CVEJMNAKQAXVHD-AWEZNQCLSA-N 424.505 3.416 0 40 HGAB COc1ccc(N(CCCC(=O)N(C)C2CCCC2)S(C)(=O)=O)cc1Cl 22520677 CXEBZJMTTMFYGE-UHFFFAOYSA-N 402.944 3.296 0 40 HGAB COC(=O)c1ccc(CN(C)S(=O)(=O)c2cccc(OC(F)(F)F)c2)cc1 30521462 SKKUSTQHJZCCAS-UHFFFAOYSA-N 403.378 3.193 0 40 HGAB CC1(C)CC[C@@H]2C[C@@H](NC(=O)NC3CCC4(CC3)NC(=O)NC4=O)c3cccc1c32 501568948 RYZJYQFRHQURFI-RKSZUGLGSA-N 410.518 3.106 0 40 HGAB O=C(N[C@@H]1CCC[C@@H]1Cc1ccccc1)C(=O)N(CCO)[C@@H]1CCc2ccccc21 502951922 VKXBOWQEPFASSI-YMPZKCBVSA-N 406.526 3.022 0 40 HGAB COc1ccc([C@H](CNC(=O)c2cnn(-c3ccccc3)n2)N2CCCCC2)cc1 32674349 GKDGTVDHWOVYOR-QFIPXVFZSA-N 405.502 3.233 0 40 HGAB CCc1ccc(NC(=O)N2CC[C@]3(COCC[C@H]3NC(=O)N3CCCC3)C2)cc1 306137294 QRZQNUAKJXZMDH-DENIHFKCSA-N 400.523 3.067 0 40 HGAB O=C(NCCCN1CCc2ccccc2C1)NC1CCN(Cc2ccccc2)CC1 31662718 IYRDINOVHTXBGE-UHFFFAOYSA-N 406.574 3.399 0 40 HGAB CCOC(=O)c1ccc(NC(=O)NC[C@H](C)N2CCN(c3ccccc3)CC2)cc1 48013705 SWMHBNVSQHJFPO-SFHVURJKSA-N 410.518 3.196 0 40 HGAB CN([C@@H](C(=O)NCc1ccc(Cl)cc1Cl)c1ccccc1)S(C)(=O)=O 224972390 LMRAIZIQILDAJB-MRXNPFEDSA-N 401.315 3.242 0 40 HGAB COc1ccc(Br)cc1S(=O)(=O)NCCOc1cccc(C)c1C 223970142 MOMGSTMSQJYXDA-UHFFFAOYSA-N 414.321 3.432 0 40 HGAB CS(=O)(=O)N[C@@H](CC(=O)N1CCC(Cc2ccccc2)CC1)c1ccc(F)cc1 225947021 DQSCMRIIIGOVPG-NRFANRHFSA-N 418.534 3.287 0 40 HGAB CCOC(=O)c1ccc(S(=O)(=O)NC[C@@H](c2ccc(CC)cc2)N(C)C)cc1 40161407 ORAZKKZKTFXFLA-FQEVSTJZSA-N 404.532 3.007 0 40 HGAB Cc1cc(C)nc(N2CCC[C@@H](C(=O)N[C@H](CC(C)C)c3nnc4ccccn34)C2)n1 96116921 QUKLEIFHGKWLTA-RTBURBONSA-N 421.549 3.256 0 40 HGAB Cc1cc(C)cc(C(=O)N2CCC[C@]3(C(=O)N(C)C)CN(c4ccccn4)C[C@@H]3C2)c1 96251252 BMPLKZKWLCPTPR-OFVILXPXSA-N 420.557 3.145 0 40 HGAB O=C(c1ccc2c(c1)OCO2)N1CCC(Oc2ncccc2Br)CC1 96096943 OPAYCECSNXXEKS-UHFFFAOYSA-N 405.248 3.256 0 40 HGAB CN(C)CCN(C(=O)C(F)(F)F)c1ncc(C(F)(F)F)cc1Br 91695761 MJOBNFRIHDWDQT-UHFFFAOYSA-N 408.140 3.320 0 40 HGAB O=C1N[C@]2(C[C@H]3CC[C@H]2C[C@@H]3C(=O)N2CCC(=O)[C@@H]3CCCC[C@H]32)Oc2ccccc21 247960007 PTQZIMJJUTXQOV-MIVCDZGPSA-N 422.525 3.302 0 40 HGAB CCOC(=O)[C@]1(C[C@H]2CC(c3ccc(F)cc3)=NO2)CCCN(C[C@H]2CCOC2)C1 248341470 ZFGKKZFWXMIMPI-LLBVYWAGSA-N 418.509 3.391 0 40 HGAB CO[C@H]1CCN(CC(=O)Nc2ccc(OCc3ccccc3)cc2)C[C@@]12CCCO2 257273769 NICQIEXMGIZOJW-UPVQGACJSA-N 410.514 3.474 0 40 HGAB Cc1cc(C[C@H]2CCC[C@@H]3CN(CC(=O)Nc4ccc5c(c4)OCCO5)C[C@@H]32)ncn1 257337993 YVIXQZMLABQRHL-DBXWQHBBSA-N 422.529 3.086 0 40 HGAB CO[C@@H]1CN(CC(=O)Nc2ccc(OCc3ccccc3)cc2)CC[C@@]12CCCO2 257325899 WUXSBSRMGCLFMR-VWNXMTODSA-N 410.514 3.474 0 40 HGAB COC(=O)c1ccc(S(=O)(=O)NCc2ccc(C(=O)c3cccs3)s2)cc1 90610604 GCSLPKZLIYWMFM-UHFFFAOYSA-N 421.521 3.306 0 40 HGAB O=C(c1cccc(C(F)(F)F)c1)N1CCC(n2cnc3ncccc3c2=O)CC1 390831239 QPLROMVTWKKDON-UHFFFAOYSA-N 402.376 3.288 0 40 HGAB COc1cc2c(cc1CN1CCC3(CC1)Nc1ccccc1C1=NCCCN13)OCO2 72342667 FXZDTDYQQIVLNP-UHFFFAOYSA-N 420.513 3.294 0 40 HGAB CCCn1ncc(C(=O)N2CCC[C@@H](c3nnsc3-c3cc(C)no3)C2)c1C 72396721 GFVMLCFMAAHFQT-CQSZACIVSA-N 400.508 3.436 0 40 HGAB CC1(C)O[C@@H]2O[C@@H]([C@H]3COC(C)(C)O3)C(=C(Br)Br)[C@H]2O1 5741842 YKIWHTZFXBWIDR-YNCDLQQUSA-N 414.090 3.016 0 40 HGAB Cc1cccnc1[C@@H](Cc1ccsc1)NS(=O)(=O)c1ccc2c(c1)OCCO2 12229642 NBTMPTLPNMNDHR-QGZVFWFLSA-N 416.524 3.485 0 40 HGAB CC1CCN(C(=O)[C@H](C)OC(=O)CCNC(=O)c2ccc(C(C)(C)C)cc2)CC1 14198279 MITCYHVUZKQBGS-KRWDZBQOSA-N 402.535 3.294 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(CCC(=O)Nc2ccc(OC)c(OC)c2)cc1 18079080 ZPNYTFPOJGFIAC-UHFFFAOYSA-N 420.531 3.306 0 40 HGAB COc1ccc(CC(=O)N2CC[C@H](c3nc(C)ncc3-c3ccccn3)C2)cc1OC 19286889 GVLIYRCUAXYBKI-SFHVURJKSA-N 418.497 3.423 0 40 HGAB O=C(c1cc([C@H]2CCCN(Cc3ccc(Cl)cc3)C2)no1)N1CCC(O)CC1 19334002 LHDGJYRKCQPKCF-INIZCTEOSA-N 403.910 3.305 0 40 HGAB Cc1ccccc1-c1nnc(S[C@@H](C(=O)N2CCOCC2)c2ccccc2)n1C 5505594 RJXIAUZPJABLPH-LJQANCHMSA-N 408.527 3.483 0 40 HGAB COc1ccc(CNC(=O)NC[C@](O)(c2ccco2)c2cccs2)cc1OC 238966145 YYSRTBXSCFCXAT-FQEVSTJZSA-N 402.472 3.094 0 40 HGAB CC(=O)c1cccc(NC(=O)CSc2nnc3ccc(-c4cccnc4)nn23)c1 4377001 WZNPTZARCBEJOC-UHFFFAOYSA-N 404.455 3.120 0 40 HGAB COc1cccc(C(=O)Nc2nnc(SCC(=O)NCc3ccccc3)s2)c1 4328477 LBJYNZZKFFCNCB-UHFFFAOYSA-N 414.512 3.208 0 40 HGAB COc1cccc(-c2ccc3nnc(SCC(=O)Nc4nc(C)cs4)n3n2)c1 5168117 BCJMSQMEUVGATD-UHFFFAOYSA-N 412.500 3.296 0 40 HGAB Cc1cccc(-n2nc3c(c2NC(=O)CN2C(=O)c4ccccc4C2=O)CSC3)c1 8909877 METIDVDRUBOKPN-UHFFFAOYSA-N 418.478 3.162 0 40 HGAB CCCN1CCCc2cc(CCNC(=O)C(=O)NCc3ccc(Cl)cc3)ccc21 11612983 GZLGIVAWZQSTPM-UHFFFAOYSA-N 413.949 3.478 0 40 HGAB CCSc1nc(NCC(C)C)c2cnn(CCNC(=O)c3cccs3)c2n1 13010449 JJEFTTSOKPYQKH-UHFFFAOYSA-N 404.565 3.498 0 40 HGAB COc1ccc2ccccc2c1CCC(=O)N1[C@H]2CC[C@H]1CC(S(C)(=O)=O)C2 101116512 LZVUTTDSPKWMQO-IRXDYDNUSA-N 401.528 3.348 0 40 HGAB O=C(Nc1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)c1ccccn1 38678749 MMNDNYGFKVJBKT-OAHLLOKOSA-N 418.428 3.465 0 40 HGAB COc1cccc(NS(=O)(=O)c2ccc(CN3C(=O)c4ccccc4C3=O)cc2)c1 16839902 PUYZYCAZOOXGNH-UHFFFAOYSA-N 422.462 3.292 0 40 HGAB CN(CCOc1ccc(Cl)cc1)c1ccc(S(=O)(=O)N2CCCCC2)cn1 22344145 ZUZPKZARUXAZQT-UHFFFAOYSA-N 409.939 3.425 0 40 HGAB COc1ccc(/C=C(/CC(=O)N2CCNC(=O)C2)c2nc3ccccc3s2)cc1 40079506 QQVYFHVFCNYIOG-VBKFSLOCSA-N 407.495 3.194 0 40 HGAB O=C1C(=O)N(CN2CCC(c3nc4ccccc4o3)CC2)C(=O)N1Cc1cccs1 30280082 AGMGNFLVDPIYLC-UHFFFAOYSA-N 424.482 3.017 0 40 HGAB COc1cc(OC)cc(C(=O)N2CCC(C(=O)Nc3cc(F)cc(F)c3)CC2)c1 40132021 PYKLKFPZKMIUCZ-UHFFFAOYSA-N 404.413 3.473 0 40 HGAB COc1ccc(C(=O)[C@H](C)Sc2ccc(S(=O)(=O)N3CCCC3)cn2)cc1 31754411 MTZVZGNQACBXAT-AWEZNQCLSA-N 406.529 3.238 0 40 HGAB CC(=O)Nc1nc(C(=O)NC[C@@H](c2c(F)cccc2Cl)N2CCCC2)cs1 31889916 JSZIQLFWAICWQB-HNNXBMFYSA-N 410.902 3.461 0 40 HGAB Cc1cccc(N2CCN(CC[C@H](C)NC(=O)C3C[C@@H]4CCC[C@H](C3)C4=O)CC2)c1 32019732 LQWJWRGOQODKCV-CCDCCJRHSA-N 411.590 3.407 0 40 HGAB COc1ccc(-c2csc(NC(=O)[C@H]3CS[C@]4(C)CCC(=O)N34)n2)cc1F 32738451 IBLGVTODGMXQPC-FZKQIMNGSA-N 407.492 3.350 0 40 HGAB Cc1cc(C)nc(SCc2nnc(SCC(=O)N[C@@H]3CCCC[C@H]3C)n2C)n1 883009 MRGFORVBXMKRCO-IUODEOHRSA-N 420.608 3.301 0 40 HGAB CC(=O)c1ccc(S(=O)(=O)N2CCC(NC(=O)Nc3cccc(F)c3)CC2)cc1 1346027 QMVCBNILMUXILJ-UHFFFAOYSA-N 419.478 3.003 0 40 HGAB c1ccc(N2CCN(c3nc4nccc(-c5ccc(-n6ccnc6)cc5)n4n3)CC2)cc1 1384808 TZOBMXJFXNRAKW-UHFFFAOYSA-N 422.496 3.304 0 40 HGAB COc1cc2c(cc1OC)[C@@H](CNC(=O)/C=C/c1cc(OC)c(OC)c(OC)c1)C2 1559673 KWCVJXFIJROWLR-FYCOFBDGSA-N 413.470 3.199 0 40 HGAB CCCCNC(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 1794350 ANFIEIHPBLVFFF-UHFFFAOYSA-N 409.895 3.380 0 40 HGAB COc1ccc(CCNC(=O)CSc2nc(C)nc3sccc23)cc1OC 2679517 WSQZCESHXSQIQG-UHFFFAOYSA-N 403.529 3.468 0 40 HGAB CC[C@H](c1nc2c3cnn(-c4ccccc4)c3ncn2n1)n1cc(Br)cn1 2809766 LGUQDIKVHSPYRL-OAHLLOKOSA-N 423.278 3.422 0 40 HGAB CC(C)[C@@H](C(=O)OCC(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@@H]2C1=O 4155948 QVYDPTHOKUMAHH-ACOUUOOQSA-N 417.889 3.122 0 40 HGAB COc1ccc(N2C[C@H](NC(=O)NCCn3c(C)cc4ccccc43)CC2=O)cc1 4273349 YHUZVPBDGYVBOF-GOSISDBHSA-N 406.486 3.063 0 40 HGAB COc1ccc(/C=c2\sc3nc(/C=C/c4ccc(C)cc4)nn3c2=O)c(OC)c1 4318632 LJHIYKFZCHZYIM-NTCPEWOASA-N 405.479 3.195 0 40 HGAB C[C@@H]1CN(C(=O)CSc2ncnc3c2cnn3-c2ccc(Cl)cc2)C[C@@H](C)O1 4341685 AWQJXMQKFDXELH-CHWSQXEVSA-N 417.922 3.197 0 40 HGAB O=C(CN1C(=O)S/C(=C/c2ccc3c(c2)OCCO3)C1=O)Nc1ccccc1F 4695957 HUQCAPOIDXILAR-LICLKQGHSA-N 414.414 3.272 0 40 HGAB CNC(=O)NC(=O)[C@@H](C)Sc1nnc(-c2ccccc2F)n1-c1ccc(C)cc1 4837782 AJYTUUWQNIHODN-CYBMUJFWSA-N 413.478 3.318 0 40 HGAB CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)OCC(=O)NCC1CCCCC1 4947152 VCMUDSVVCGGEIQ-FQEVSTJZSA-N 404.507 3.177 0 40 HGAB COc1ccc(N2C(=O)/C(=C/NCc3ccccn3)c3ccccc3C2=O)c(OC)c1 5695495 ITGGUGYLTKRYIT-HMMYKYKNSA-N 415.449 3.417 0 40 HGAB C[C@H](Sc1nnc(-c2cccnc2)n1N)C(=O)Nc1cccc(C(F)(F)F)c1 6053836 HMBVUWVUQUCETQ-JTQLQIEISA-N 408.409 3.192 0 40 HGAB CCCCNC(=O)c1ccccc1NC(=O)[C@H](C)N(c1ccccc1)S(C)(=O)=O 6323156 UVRPBSQVYRRXCZ-INIZCTEOSA-N 417.531 3.010 0 40 HGAB Nn1c(SCC(=O)OCC(=O)c2ccc(Cl)s2)nnc1C1CCCCC1 6602668 MBEDRTLNVKFJNJ-UHFFFAOYSA-N 414.940 3.273 0 40 HGAB COc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3cc(C)on3)sc2C)cc1 6680179 DLEUKWFTUJVDEC-UHFFFAOYSA-N 407.473 3.415 0 40 HGAB CCCCn1nnnc1CSc1nnc(-c2cccnc2)n1Cc1ccccc1 6843375 GGEWEXKIXMNDIA-UHFFFAOYSA-N 406.519 3.467 0 40 HGAB CCn1c(COC(=O)c2ccc(C)s2)nc2cc(S(=O)(=O)N(C)C)ccc21 6972175 YYYBFCHOMUMLOF-UHFFFAOYSA-N 407.517 3.033 0 40 HGAB C[C@H](OC(=O)c1c2c(nc3ccccc13)CC[C@H](C(C)(C)C)C2)C(=O)N1CCNC1=O 7119929 YBGUEHJAZZOICV-GJZGRUSLSA-N 423.513 3.483 0 40 HGAB CC(C)OCCCNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 7881196 LOSSHEPVLPBCIO-UHFFFAOYSA-N 402.944 3.060 0 40 HGAB NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)/C=C/c1cc(Br)ccc1F 8036236 ZQGVIEJFSPCKPW-JZLODUJNSA-N 403.251 3.040 0 40 HGAB O=C(NOCc1ccccc1)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 8096662 SBAAKHAFRPMBQO-UHFFFAOYSA-N 408.907 3.376 0 40 HGAB COc1ccc(Cc2nnc(NC(=O)[C@H]3CC(=O)N(c4ccccc4)C3)s2)cc1 8216581 WVXVHOAGSIOXQU-HNNXBMFYSA-N 408.483 3.129 0 40 HGAB O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)c2cnn(-c3ccccc3)c2)CC1 8327093 RRKGIXPUWMENPO-UHFFFAOYSA-N 418.453 3.092 0 40 HGAB Cc1cccc(NC(=O)c2ccccc2NC(=O)CSc2nnnn2C2CC2)c1 8327202 SRLWNBJVSCTIIX-UHFFFAOYSA-N 408.487 3.300 0 40 HGAB COc1ccc(S(=O)(=O)NCc2ccccc2Cl)cc1C(=O)N1CCCCC1 8560552 INNNETUYPRXMIW-UHFFFAOYSA-N 422.934 3.453 0 40 HGAB Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)N1CCN(C(=O)c2ccco2)CC1 8852585 ILRVRKOUFJZIJO-UHFFFAOYSA-N 412.877 3.084 0 40 HGAB CCc1ccc(-c2nn(CC(=O)NCc3ccco3)c(=O)c3nc(C)sc23)cc1 8956081 OIWMWXIDXLHEOV-UHFFFAOYSA-N 408.483 3.300 0 40 HGAB Cc1nnsc1C(=O)Nc1sc2c(c1C(=O)NCc1cccnc1)CCCC2 9250883 HFXQLPVPTOQWSD-UHFFFAOYSA-N 413.528 3.364 0 40 HGAB CCOC(=O)C1=C(COC(=O)C[C@H]2C=CCC2)NC(=O)N[C@@H]1c1ccc(Cl)cc1 9613915 OWUCOZIDIUVQRG-ORAYPTAESA-N 418.877 3.411 0 40 HGAB CCOC(=O)C1=C(COC(=O)C[C@H]2C=CCC2)NC(=O)N[C@H]1c1ccc(Cl)cc1 9613916 OWUCOZIDIUVQRG-DJJJIMSYSA-N 418.877 3.411 0 40 HGAB COC(=O)c1ccccc1NC(=O)C[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 11612548 UUWRUIDEFCGXHV-INIZCTEOSA-N 416.499 3.045 0 40 HGAB O=C(CN1CCC(O)(Cn2cnc3ccccc32)CC1)c1c[nH]c2ccc(F)cc12 12088162 VDLCWUYYKHCOHG-UHFFFAOYSA-N 406.461 3.367 0 40 HGAB COc1cc(OC)c2cc(C(=O)N3CCC[C@@H]3c3cc4nc(C)cc(O)n4n3)[nH]c2c1 12154081 DOOOFATXCHRCIW-GOSISDBHSA-N 421.457 3.219 0 40 HGAB O=S(=O)(c1ccc(SCc2nc(-c3ccsc3)no2)nc1)N1CCCC1 12549699 HLBAGYYDGHQDFS-UHFFFAOYSA-N 408.530 3.270 0 40 HGAB Cc1cccc(-c2nnc(S)n2CC(=O)NC[C@H](c2ccccc2)N2CCCC2)c1 12553737 XQNKNNMZVOOHRJ-HXUWFJFHSA-N 421.570 3.496 0 40 HGAB CCC(C)(C)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 12735163 ZMZLKWFPGOJSDC-CYBMUJFWSA-N 417.369 3.155 0 40 HGAB O=C(c1ccc(Cl)cc1)c1ccccc1C(=O)N1CCN(c2ncccn2)CC1 12765543 VAGJTSZRHCDVTQ-UHFFFAOYSA-N 406.873 3.323 0 40 HGAB CCc1ccccc1NC(=O)CNC(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2 12792655 ZZMZNVDWSQTCES-UHFFFAOYSA-N 406.461 3.431 0 40 HGAB COC(=O)c1ccc(S(=O)(=O)N(C)Cc2ccc(Br)s2)cc1 12799168 HYHKOYBESXJKCV-UHFFFAOYSA-N 404.307 3.118 0 40 HGAB O=C(NC[C@@H](c1ccccc1)N1CCCC1)c1cccc(NC(=O)[C@@H]2CCCO2)c1 12910648 JSCAQWWFZMRCPY-VXKWHMMOSA-N 407.514 3.371 0 40 HGAB C[C@H](NC(=O)C[C@H](NC(N)=O)c1ccccc1Cl)c1ccc2c(c1)OCCO2 12950180 SLPPQRHHGRZSRZ-LRDDRELGSA-N 403.866 3.088 0 40 HGAB CCCC(=O)Nc1ccc(S(=O)(=O)NCCc2ccc3c(c2)CCCN3C)cc1 13008737 WUAWXZDMXWHPQL-UHFFFAOYSA-N 415.559 3.329 0 40 HGAB CC[C@@H](C(=O)Nc1cccc(NC(C)=O)c1)N(c1ccc(Cl)cc1)S(C)(=O)=O 13714942 FXZPIAKXNIRJQV-SFHVURJKSA-N 423.922 3.482 0 40 HGAB CS(=O)(=O)N1CCC(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)CC1 13789315 CNYMXKBCRRZJKM-UHFFFAOYSA-N 420.918 3.181 0 40 HGAB COc1cc(C(=O)Nc2ccc(C)c(Cl)c2)ccc1OCC(=O)N1CCOCC1 14250426 CJTPYDDMMHSJIV-UHFFFAOYSA-N 418.877 3.147 0 40 HGAB CN(Cc1ccccc1N1CCOCC1)S(=O)(=O)c1ccccc1C(F)(F)F 15360294 SEECVEWESIXJEJ-UHFFFAOYSA-N 414.449 3.363 0 40 HGAB C[C@@H](NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)c1ccc(Br)cc1 15621229 QRIAEPSOKMEQCH-SECBINFHSA-N 417.712 3.241 0 40 HGAB CC(C)C(=O)Nc1ccc(C(=O)OCc2cc(=O)n3nc(C(C)C)sc3n2)cc1 15771488 VBMPLXIDMATJOK-UHFFFAOYSA-N 414.487 3.226 0 40 HGAB O=C(CSc1nnc(-c2ccc(Cl)cc2)c(O)n1)Nc1ccc2c(c1)OCO2 16039566 BYAVGNNVCIBHFX-UHFFFAOYSA-N 416.846 3.357 0 40 HGAB O=C(Nc1cccc(C(F)(F)F)c1)N[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 16047660 CPZYSOAUSPFYGT-AWEZNQCLSA-N 421.375 3.404 0 40 HGAB Cc1ccc(-c2ccc(OCCNC(=O)c3cc4ccccc4oc3=O)nn2)cc1 17051715 MJCUFFKTAXXVBU-UHFFFAOYSA-N 401.422 3.367 0 40 HGAB COc1ccc(OC)c([C@@H]2CCCN2S(=O)(=O)c2cccc3nsnc23)c1 19078949 ZFRMTIFNUYKAAC-HNNXBMFYSA-N 405.501 3.234 0 40 HGAB CC(C)C(=O)N1CCC(c2nc(O)cc([C@H]3CCCN(C(=O)C4CCC4)C3)n2)CC1 19085249 WNRKSZCWJUZXMJ-SFHVURJKSA-N 414.550 3.050 0 40 HGAB Cc1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](C1CCN(C(=O)COc3cccnc3)CC1)N2 19128787 GPGJZEDHDCISEX-DLBZAZTESA-N 423.439 3.192 0 40 HGAB COc1ccc(C(=O)N2CCC[C@H]2c2nc(N(C)C)ncc2-c2ccncc2C)cn1 19239858 IQSHVZRVJMUGSF-IBGZPJMESA-N 418.501 3.294 0 40 HGAB O=c1[nH]c(-c2ccccn2)nc2c1CCN(Cc1ccc(OC(F)(F)F)cc1)CC2 19403146 KQGUUOXIMTWCHL-UHFFFAOYSA-N 416.403 3.331 0 40 HGAB CCCC(=O)N1CCC([C@@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)OCC)c3N2)CC1 19501136 RECQTINADCFXNU-LSDHHAIUSA-N 416.444 3.386 0 40 HGAB COc1ccc([C@H]2N(C(=O)c3nc4ccc(F)cc4[nH]3)CCC[C@]23CCC(=O)N3)cc1 19557386 JJYKYYRGJLPFOV-OFNKIYASSA-N 422.460 3.337 0 40 HGAB CN(C)C(=O)[C@]1(Cc2ccc(-c3ccsc3)cc2)CCN(C(=O)[C@@H]2CCCO2)C1 19579852 AIZGLDFWEUUNIH-REWPJTCUSA-N 412.555 3.444 0 40 HGAB O=C(Nc1ccc(N2CCCS2(=O)=O)cc1)c1ccccc1CN1CCCCC1 19654725 WFYCBQZZVWZEJP-UHFFFAOYSA-N 413.543 3.465 0 40 HGAB O=C(CN1CCO[C@H](c2nccnc2-c2cccc(C(F)(F)F)c2)C1)N1CCCC1 19693248 UWLOOPUOCISVMT-KRWDZBQOSA-N 420.435 3.158 0 40 HGAB CCC(=O)c1ccc(OC[C@@H](O)CN2CCN(c3ccccc3Cl)CC2)cc1 19832103 VQNHMUVKVPDNBQ-SFHVURJKSA-N 402.922 3.495 0 40 HGAB CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 20047916 ODNKFEBFZQODHN-GHTZIAJQSA-N 412.486 3.400 0 40 HGAB COC(=O)c1ccc(NC(=O)Cn2nc(-c3ccccc3)c3c(c2=O)CCCC3)cc1 20095309 ZRFFXLBQLRPZDW-UHFFFAOYSA-N 417.465 3.214 0 40 HGAB CS(=O)(=O)N(CC(=O)NCc1ccc(F)cc1)c1cccc(Cl)c1Cl 20486130 LMVGONBASOFDGI-UHFFFAOYSA-N 405.278 3.215 0 40 HGAB COc1ccc(O[C@H](C)C(=O)Nc2ccnn2Cc2ccc(OC)cc2OC)cc1 23024302 XISCOUCHNRJDSV-OAHLLOKOSA-N 411.458 3.363 0 40 HGAB CCCn1nc(C(=O)Nc2ccc(OC)c(OCCOC)c2)c2ccccc2c1=O 24937059 IWMJYFSUCPLIPR-UHFFFAOYSA-N 411.458 3.093 0 40 HGAB COC(=O)C[C@@H](NC(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1)c1ccc(C)cc1 25601627 MMOYPMRVTPHVSF-WOJBJXKFSA-N 410.470 3.147 0 40 HGAB Cc1ccc(OCC(=O)NC[C@@H](c2ccc(Cl)cc2)N2CCN(C)CC2)cc1 27662233 UYQZVFNPIRFJIS-NRFANRHFSA-N 401.938 3.132 0 40 HGAB CCN(CC(=O)NC(C)(C)C)C(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1 28013664 LPWJYSMLHYDDRL-HXUWFJFHSA-N 409.530 3.311 0 40 HGAB COc1ccc(N2C[C@H](C(=O)N3CCN(c4cccc(Cl)c4)CC3)CC2=O)cc1 28193826 PMMXTBXWQGSEKY-MRXNPFEDSA-N 413.905 3.050 0 40 HGAB Cc1ccc2c(=O)cc(C(=O)NC[C@@H](c3ccccc3)N3CCOCC3)oc2c1C 28292277 OXJCJSAHGVLTAP-FQEVSTJZSA-N 406.482 3.213 0 40 HGAB C[C@@H]1CCc2[nH]c3c(C(=O)NCCCN4C(=O)NC5(CCCC5)C4=O)cccc3c2C1 30681926 HGHMLSLWBKXXNR-OAHLLOKOSA-N 422.529 3.277 0 40 HGAB Cc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3)C2)c(C)c1 30953053 YCLMWJZSUCMVLB-HNNXBMFYSA-N 400.862 3.492 0 40 HGAB C[C@H](CNC(=O)NC1CCN(Cc2ccccc2)CC1)N1CCc2sccc2C1 31663798 PVEPWNGYLNRJRX-GOSISDBHSA-N 412.603 3.459 0 40 HGAB CCc1ccc(C(=O)Nc2ccc(C)cc2C)cc1S(=O)(=O)N1CCOCC1 32795049 PGKMHFLKJFQQQT-UHFFFAOYSA-N 402.516 3.139 0 40 HGAB COc1cccc(NC(=O)c2nnn(Cc3nc(-c4cccc(C)c4)oc3C)c2N)c1 33291776 VHARBEKXUONXMP-UHFFFAOYSA-N 418.457 3.441 0 40 HGAB C[C@H](NC(=O)c1ccccc1)c1nnc(SCC(=O)Nc2cccc(F)c2)n1C 33765326 ZOFWVWKKINXGBJ-ZDUSSCGKSA-N 413.478 3.176 0 40 HGAB Cc1ccc2c(c1)c(=O)n(C)c1nnc(Cn3c(C(F)(F)F)nc4ccccc43)n21 40127890 OXHDPSSAMMPVRF-UHFFFAOYSA-N 412.375 3.306 0 40 HGAB Cn1c(N2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)nc2ccccc21 44443751 XGLGBYDNAIATSG-UHFFFAOYSA-N 424.448 3.103 0 40 HGAB Cn1c(=O)n(C)c2cc(NC(=O)CSc3ccc(Br)cc3)ccc21 47080912 REGLKMCCYYEONI-UHFFFAOYSA-N 406.305 3.370 0 40 HGAB Cc1oc(C(=O)NC[C@H]2CCCc3ccccc32)cc1S(=O)(=O)N1CCCC1 48299792 AVCQRDAYFBBETC-QGZVFWFLSA-N 402.516 3.222 0 40 HGAB O=C(NC1CC1)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)C1 51161481 CREMJOFLYLHWCU-SNVBAGLBSA-N 410.845 3.038 0 40 HGAB CCCn1c(SCC(=O)Nc2ccc3c(c2)OCCO3)nc2ccsc2c1=O 57478515 KHRTVWOZEOCELS-UHFFFAOYSA-N 417.512 3.370 0 40 HGAB COC(=O)[C@@H]1CN(C(=O)CN(C)Cc2cccc(Cl)c2Cl)c2ccccc2O1 57688709 ATEXWVXEHDRDHW-KRWDZBQOSA-N 423.296 3.392 0 40 HGAB CN(CC(=O)N1CCC(c2cc3ccccc3[nH]2)CC1)S(=O)(=O)c1ccccc1 58104198 XZHHYKRAJODDKK-UHFFFAOYSA-N 411.527 3.195 0 40 HGAB CC(C)c1c(C(=O)NC[C@H](O)C(F)(F)F)cnn1-c1ccc(C(F)(F)F)cn1 72311668 SGQWGJCITBODPS-NSHDSACASA-N 410.318 3.063 0 40 HGAB Cc1cc2nc([C@H]3CCCN(C[C@@H](C)Cc4ccc5c(c4)OCO5)C3)cc(N)n2n1 72339786 CSUSDDAYRNWWRA-YJBOKZPZSA-N 407.518 3.407 0 40 HGAB Cc1nc([C@@H]2CCCN2S(=O)(=O)C2CCCC2)nc2c1CCC(=O)N2CC(C)C 72371123 PNYDAPCYIDJRHK-SFHVURJKSA-N 420.579 3.130 0 40 HGAB C[C@H](Cn1cncn1)C(=O)NC1CCN(CC2(c3cccc(F)c3)CCCC2)CC1 72393464 BYAPGBGSGWNFFU-GOSISDBHSA-N 413.541 3.146 0 40 HGAB COCc1cc(=O)c(O)c([C@@H](CC(=O)OC)c2ccc(Br)s2)o1 96115933 SMSXHSZQSRKHJG-VIFPVBQESA-N 403.250 3.011 0 40 HGAB biogenic COc1ncccc1CN1Cc2ccccc2C2(CCN(c3cnccn3)CC2)C1 96242547 VQWISOYZWGYJNJ-UHFFFAOYSA-N 401.514 3.434 0 40 HGAB COc1ccc(CCC(=O)N[C@H]2CCN(c3ccccn3)C2)cc1Br 206826867 SKJKZCMNSZNEFW-HNNXBMFYSA-N 404.308 3.180 0 40 HGAB COc1ccc(OC)c(NC(=O)c2ccccc2N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)c1 207516701 NHIKPVRIEWBGAW-MFRYECHYSA-N 420.465 3.492 0 40 HGAB COc1cccc(N([C@@H](C)C(=O)NCCCc2ccc(Cl)cc2)S(C)(=O)=O)c1 220176852 FWJBPKXZPZUBPO-HNNXBMFYSA-N 424.950 3.252 0 40 HGAB CC[C@H](C(=O)NCCCc1ccc(F)cc1)N(c1ccc(OC)cc1)S(C)(=O)=O 220652931 ATQQWPRPYKKQRC-HXUWFJFHSA-N 422.522 3.128 0 40 HGAB COc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCCCc3ccco3)c2)cc1 224045879 XTHVKFMMACLZOE-UHFFFAOYSA-N 414.483 3.452 0 40 HGAB C[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1ccc(N2CCCC2)cc1 224936999 LZIUBZLONFENDD-INIZCTEOSA-N 417.531 3.089 0 40 HGAB CCOc1ccc(-c2noc(CNS(=O)(=O)c3ccc(OC)c(C)c3C)n2)cc1 225219493 AMEOKDDPQRBHTO-UHFFFAOYSA-N 417.487 3.239 0 40 HGAB COc1ccc(-c2noc(CNC(=O)Cc3cccc(Br)c3)n2)cc1 225623606 UYNAKRMDBAVLLN-UHFFFAOYSA-N 402.248 3.367 0 40 HGAB COC(=O)Nc1ccc(S(=O)(=O)NC[C@H](O)c2csc3ccccc23)cc1 225697130 ARZFVQAEMHCGPE-INIZCTEOSA-N 406.485 3.092 0 40 HGAB CCn1cc(Cl)c(C(=O)NC2CCN(c3cc(C(F)(F)F)nc(C)n3)CC2)n1 225727033 ZRMZENQKAPHJBI-UHFFFAOYSA-N 416.835 3.072 0 40 HGAB COc1ccc(-c2nnc(NS(=O)(=O)c3ccc(OC)c(OC)c3)s2)cc1 225818890 HCJFHRBGPKITQY-UHFFFAOYSA-N 407.473 3.032 0 40 HGAB CCOc1ccc(NC(=O)[C@]23C[C@@H]2CN(c2ccc(Cl)cc2)S3(=O)=O)cc1 225938737 FXYUSNDHUGKKAX-YJYMSZOUSA-N 406.891 3.286 0 40 HGAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)N(C)c2ccccc2)cc1Cl 226067768 DAWWELKAQGCWBK-UHFFFAOYSA-N 410.923 3.412 0 40 HGAB COc1ccc(-c2csc(NC(=O)CN3CC[C@@H](OC)[C@@]4(CCCO4)C3)n2)cc1 257222513 DTODUGWAHJJULW-WIYYLYMNSA-N 417.531 3.027 0 40 HGAB CO[C@H]1CC[C@H](C(=O)N2Cc3nc4c(-c5ccccc5)c(C)nn4c(O)c3C2)CC1 257325924 WVASQNRBKMAWTE-QAQDUYKDSA-N 406.486 3.458 0 40 HGAB COc1ccc(NC(=O)c2nnc3n2C2(CC3)CCN(Cc3ccccc3)CC2)cc1 306142361 WXAJDCCUUHZKMH-UHFFFAOYSA-N 417.513 3.477 0 40 HGAB CCCOc1ccc(N2C[C@H](C(=O)Nc3ccccc3C(=O)NC3CC3)CC2=O)cc1 408616680 ZUWGIZSBZVMFGI-MRXNPFEDSA-N 421.497 3.359 0 40 HGAB CCN(CC)C(=O)c1ccc(N(C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 409383916 OUBZJOLVXKEGBN-UHFFFAOYSA-N 406.504 3.011 0 40 HGAB C[C@@]1(O)CCN(C(=O)C2CC2)[C@@H](c2cccs2)[C@@H]1NC(=O)c1ccc(F)cc1 514289672 NGYYMFKLZFQEPX-BBTUJRGHSA-N 402.491 3.120 0 40 HGAB biogenic,in-vitro CCC(C)(C)NC(=O)CN1CCCN(CC(=O)NC(C)(C)CC)c2ccccc21 532704381 QILOPUXZCMZHBP-UHFFFAOYSA-N 402.583 3.313 0 40 HGAB CN(C)c1ncc2c(n1)CC[C@H](NC(=O)c1cc(Br)ccc1Cl)C2 585150285 JWFHWGPTJOXXPV-LBPRGKRZSA-N 409.715 3.246 0 40 HGAB CC[C@H](C)[C@@H]1NC(=O)C2(CCCCOCCCNC1=O)CCN(C1CCCC1)CC2 643581458 CJGGFZIDZRUCDU-FPOVZHCZSA-N 421.626 3.249 0 40 HGAB Cc1nc(C(=O)N[C@H]2CCCN(c3c(C)cc(Br)cc3C)C2=O)co1 672303253 PSBBOXXQQJGFBK-AWEZNQCLSA-N 406.280 3.288 0 40 HGAB CC(C)(C)c1nc2ccccc2n1C1CN(C(=O)Cn2cnc3ccccc3c2=O)C1 1848635509 URFXSPPWQQKUKP-UHFFFAOYSA-N 415.497 3.127 0 40 HGAB COc1ccc2[nH]c3nc(SCC(=O)Nc4ccc5c(c4)OCCO5)nnc3c2c1 908066 FBLUASJKZLHMSH-UHFFFAOYSA-N 423.454 3.017 0 40 HGAB Cc1sc2ncn3c(SCC(=O)Nc4ccc5c(c4)OCO5)nnc3c2c1C 1379192 AQROOAALHZCTKG-UHFFFAOYSA-N 413.484 3.415 0 40 HGAB C[C@H](NC(=O)Nc1cc(C2CC2)nn1[C@H]1CCS(=O)(=O)C1)c1ccc(F)c(F)c1 79015034 JFQWGJUYXSWXLK-FZMZJTMJSA-N 424.473 3.281 0 40 HGAB CC(C)c1cc(C(=O)N2CCN(CCc3ccccn3)CC2)n(-c2ccccc2)n1 79473532 APWDHOUACDRCIK-UHFFFAOYSA-N 403.530 3.391 0 40 HGAB CCOC(=O)c1cccc(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)c1 8097579 CEELLXWLCXNQPV-UHFFFAOYSA-N 416.499 3.290 0 40 HGAB CCn1c(CCC(=O)N[C@H](C)CCC(C)C)nc2cc(S(=O)(=O)N(C)C)ccc21 21196304 QBFLZYBJILEBLR-MRXNPFEDSA-N 422.595 3.180 0 40 HGAB CCCNC(=O)NC(=O)CSc1nc(N)c(-c2ccc(Cl)cc2)c(CC)n1 24987771 WKEICAXVRGBHKG-UHFFFAOYSA-N 407.927 3.270 0 40 HGAB CCC(C)(C)n1nnnc1[C@@H](c1ccccn1)N1CCN(c2cccc(OC)c2)CC1 26438905 RJNAZJPAHWELIT-OAQYLSRUSA-N 421.549 3.133 0 40 HGAB COc1ccc(NC(=O)CCN(C)CCc2ccc(OC)c(OC)c2)c(OC)c1 1456201 XLNAKXGHDFMIKR-UHFFFAOYSA-N 402.491 3.224 0 40 HGAB biogenic CC1CCN(S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(F)c(F)c3)cc2)CC1 20021409 PWXKCICEULETPH-UHFFFAOYSA-N 424.469 3.403 0 40 HGAB O=C(Cn1nnc(-c2ccccc2NC(=O)c2ccccc2)n1)NC1CCCCC1 57613791 XWDOERUWYLPTGL-UHFFFAOYSA-N 404.474 3.041 0 40 HGAB O=C(CN1CCN(C(=O)/C=C/c2c(F)cccc2Cl)CC1)Nc1cccc(F)c1 57446963 OMIAEJQKBSXIDF-BQYQJAHWSA-N 419.859 3.414 0 40 HGAB Cn1cccc1[C@@H](CNS(=O)(=O)c1cccs1)N1CCc2ccccc2C1 21153410 BJVPSVPKYCHGJM-LJQANCHMSA-N 401.557 3.165 0 40 HGAB O=C(CCN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@H]2C1=O)Nc1ccc(Cl)c(Cl)c1 102529748 YYTXKGKVYZOGLL-BXFUYCDMSA-N 405.281 3.375 0 40 HGAB Cc1cc(C)cc(N(CN2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@H]3C2=O)C(=O)C(F)(F)F)c1 100395567 GEIPTPIPTRNSCC-NWCWSAAOSA-N 418.415 3.209 0 40 HGAB CCCNS(=O)(=O)c1cc(C(=O)N[C@@H](C)c2ccccc2)ccc1N1CCCC1 10009850 YDVVLYBRXSFNGK-KRWDZBQOSA-N 415.559 3.466 0 40 HGAB CCOC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)CN1CCCC[C@H]1CCO 2453243 TZAZGZWAPPMIRL-AWEZNQCLSA-N 407.898 3.173 0 40 HGAB NC(=O)Nc1ccc(C(=O)OCC(=O)NC(c2ccccc2)c2ccccc2)cc1 3435020 PVNLCVXFKMSRQD-UHFFFAOYSA-N 403.438 3.240 0 40 HGAB COc1ccc([C@H]2CC(=O)c3cc(C(=O)Nc4cccc(C)n4)c(=O)[nH]c3C2)cc1 13363490 NVHMRYJJMRLRBR-OAHLLOKOSA-N 403.438 3.252 0 40 HGAB Cc1ccc(NC(=O)Cn2cnc3c(oc4nc5c(cc43)COC(C)(C)C5)c2=O)cc1 8664916 YNGFSIKLJSPWSG-UHFFFAOYSA-N 418.453 3.336 0 40 HGAB CC(=O)c1sc(NC(=O)Cn2cnc3ccccc3c2=O)nc1-c1ccccc1 6235232 NMWNFCLXLXIHLE-UHFFFAOYSA-N 404.451 3.361 0 40 HGAB COc1ccc(CCNC(=O)CSc2nnc(-c3cccs3)o2)cc1OC 6462913 KOTIJTRXTGJLQB-UHFFFAOYSA-N 405.501 3.266 0 40 HGAB CCN(c1cc(OC)c(OC)cc1C(=O)Nc1cccc(SC)c1)S(C)(=O)=O 22252075 WITXCBGZKXISGO-UHFFFAOYSA-N 424.544 3.464 0 40 HGAB COc1ccccc1OCCSc1nnc(CC(=O)Nc2ccc(C)cc2)n1C 4736052 HZFMWBGLZUYVDF-UHFFFAOYSA-N 412.515 3.484 0 40 HGAB COc1ccc(NC(=O)c2nc(S(=O)(=O)Cc3ccccc3)ncc2Cl)cc1 8916928 YBZJVJMJWXHFMI-UHFFFAOYSA-N 417.874 3.365 0 40 HGAB Cc1cc(SCC(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)nc2ccccc12 6790749 BRRQHTVPIZYFKI-CQSZACIVSA-N 415.540 3.160 0 40 HGAB O=C(CSc1nncn1-c1ccccc1F)Nc1ccc2c(c1)OCCCO2 4890387 NYRYYFISIDIIOG-UHFFFAOYSA-N 400.435 3.299 0 40 HGAB Nc1c(C(=O)Nc2cc(F)ccc2F)nnn1Cc1cccc(Br)c1 4852510 VYJZZYAEEGOSLB-UHFFFAOYSA-N 408.206 3.202 0 40 HGAB C[C@@H](Sc1nc2ccccc2c(=O)n1Cc1cccnc1)C(=O)NC1CCCC1 6980997 LNEIFUZTIJIJOP-OAHLLOKOSA-N 408.527 3.379 0 40 HGAB CCOC(=O)c1sc(NC(=O)C2(c3ccc(OC)cc3)CCOCC2)nc1C 71285399 NOWHBQNSPUJGRV-UHFFFAOYSA-N 404.488 3.324 0 40 HGAB CCc1cccc(C)c1NC(=O)Cn1cnc2nc(N3CCCCC3)sc2c1=O 67317016 SWGOLXNTPVPQKV-UHFFFAOYSA-N 411.531 3.353 0 40 HGAB O=C(COc1ncnc2ccc(Br)cc12)Nc1ccc2c(c1)OCO2 7238816 AWZOWIQWPPQHND-UHFFFAOYSA-N 402.204 3.139 0 40 HGAB CN(Cc1ccccc1)C[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)c1ccc(N(C)C)cc1 67870691 ACSNIGXLJCJPEW-SONWIMMPSA-N 420.601 3.325 0 40 HGAB biogenic,in-vitro O=C(CCNS(=O)(=O)c1ccc(C2CCCCC2)cc1)NCc1ccccn1 7988225 WYNQJZQLSZBKGZ-UHFFFAOYSA-N 401.532 3.114 0 40 HGAB O=C(NCC1(c2ccc3c(c2)OCO3)CCOCC1)[C@H]1CCCN1Cc1ccccc1 70038156 ZSJLHQBCNZFGAY-OAQYLSRUSA-N 422.525 3.244 0 40 HGAB CCOC(=O)c1c(NC(=O)CNc2ccc(Cl)cc2)sc(C(=O)NC)c1C 9315860 HYADJMCDHAXESX-UHFFFAOYSA-N 409.895 3.297 0 40 HGAB CCOc1ccccc1C(=O)NCCCC(=O)N[C@@H](C)c1nc(C(C)(C)C)no1 72303568 CBUYSIWQQXUKAB-AWEZNQCLSA-N 402.495 3.153 0 40 HGAB COc1cc(CNCCN2CCOCC2)cc(Cl)c1OCc1ccc(F)cc1 19872260 GQMIYGVQQKRZEE-UHFFFAOYSA-N 408.901 3.489 0 40 HGAB Cc1cccc(CSCCNC(=O)CN(c2cccc(C)c2C)S(C)(=O)=O)c1 408925015 ROZLBLHLLCWQMU-UHFFFAOYSA-N 420.600 3.427 0 40 HGAB Cc1ccc(-c2nnc(COc3cccc(NC(=O)CN4CCCC4=O)c3)o2)cc1 72235946 MMOXEMRCHQGAFV-UHFFFAOYSA-N 406.442 3.185 0 40 HGAB C[C@@H]1CN(CCOc2ccc(CCNC(=O)Cc3ccc4c(c3)OCO4)cc2)C[C@H]1C 95460124 QRIHZMYOWSLACY-RTBURBONSA-N 424.541 3.283 0 40 HGAB CCC1(CC)NC(=O)N(CC(=O)N(c2ccc3c(c2)OCO3)C2CCCCC2)C1=O 89948069 BFMJVJKCGHFYPS-UHFFFAOYSA-N 415.490 3.192 0 40 HGAB COc1cc(C)c(CN2CCN([C@H](C)C(=O)Nc3ccccc3C)CC2)cc1OC 22025131 FVOOAFITVFUVJN-LJQANCHMSA-N 411.546 3.465 0 40 HGAB Cn1cc(-c2ccc3c(c2)[C@H]2CN(Cc4ccc(Cl)cc4)C[C@@H]2S3(=O)=O)cn1 306140459 UUIWNSXPINNJPF-CTNGQTDRSA-N 413.930 3.496 0 40 HGAB COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC[C@H](C(=O)N2CCC(C)CC2)C1 408700407 FOUXAXODUBTGSC-IBGZPJMESA-N 422.591 3.478 0 40 HGAB CC(C)(C)c1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)N1CCc3ccccc31)O2 30947002 KLCVTBVSLAXJSS-FQEVSTJZSA-N 414.527 3.100 0 40 HGAB COc1cc2c(cc1OC)[C@@H](NC(=O)CCCc1nc(O)c3ccccc3n1)CC2 524732882 WRNUMPOZNRNREP-SFHVURJKSA-N 407.470 3.479 0 40 HGAB NC(=O)c1ccc(NC(=O)CSc2nnc(COc3ccc(Cl)cc3)o2)cc1 32604850 KKOMUIVNTSTMSS-UHFFFAOYSA-N 418.862 3.132 0 40 HGAB CC(=O)c1cccc(N2C(SCc3ccccc3)=N[C@H]3CS(=O)(=O)C[C@H]32)c1 32640593 BGNOEQREIJOUTM-RBUKOAKNSA-N 400.525 3.164 0 40 HGAB COCCOc1cccc(CN2CCC[C@H](c3cc(C(F)F)n4ncnc4n3)C2)c1 72395327 PELCPAHKCCECBR-INIZCTEOSA-N 417.460 3.467 0 40 HGAB O=C(CCCCCn1cnc2ccccc2c1=O)Nc1nnc([C@@H]2CCCO2)s1 36365101 MCLFUJKFOLLISH-INIZCTEOSA-N 413.503 3.299 0 40 HGAB CCc1ccc(OCCNC(=O)CN(c2ccc(C)c(Cl)c2)S(C)(=O)=O)cc1 223684000 GJXZXTYYFVVELA-UHFFFAOYSA-N 424.950 3.172 0 40 HGAB COc1ccc(N([C@@H](C)C(=O)Nc2cccc(SC)c2)S(C)(=O)=O)cc1OC 220232981 YZQWHUOSLCHZAE-ZDUSSCGKSA-N 424.544 3.219 0 40 HGAB Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)n1C 225500856 NEQVUSRWAHSROE-RTWAWAEBSA-N 405.527 3.340 0 40 HGAB COC(=O)c1cc(S(=O)(=O)NCCCN2c3ccccc3C[C@@H]2C)ccc1Cl 223554316 UECNTVOUALRYTI-AWEZNQCLSA-N 422.934 3.246 0 40 HGAB CC(C)(C)OC(=O)N1CCC[C@@H](COc2ccc(C(=O)N3CCOCC3)cc2)C1 43220460 NTWIHQIHEPWZIT-QGZVFWFLSA-N 404.507 3.185 0 40 HGAB CC(C)OCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)COc1ccccc1 222775588 QRHQNKSQQPPDHG-HXUWFJFHSA-N 412.530 3.414 0 40 HGAB COC(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc2ccccc2c1 225050087 ZOHUKSRDTAYGPP-UHFFFAOYSA-N 415.467 3.225 0 40 HGAB C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)c2)C[C@@H](C)O1 195544606 VQDDBDIDHFCTEY-GFAJBQDWSA-N 408.564 3.039 0 40 HGAB Cc1ccsc1C(=O)N1Cc2ccccc2C2(CCN(CC(=O)N(C)C)CC2)C1 96242436 LQAQNTWIBGKLFQ-UHFFFAOYSA-N 411.571 3.134 0 40 HGAB Cc1cnc(C(=O)N2CCO[C@H](c3cc(Nc4cccc(C)n4)cc(C)n3)C2)cn1 257242470 ICSDPQDAYBAXRH-FQEVSTJZSA-N 404.474 3.149 0 40 HGAB CS(=O)(=O)N[C@@H]1CCCN(C(=O)N[C@@H]2CCC[C@H](c3ccc(Cl)cc3)C2)C1 1682121175 FWQDORLQZMEVRC-CGTJXYLNSA-N 413.971 3.089 0 40 HGAB COc1ccc(S(=O)(=O)C2CCN(C(=O)c3cc(-c4ccco4)on3)CC2)cc1 96121827 JGOREZLJEXIYQA-UHFFFAOYSA-N 416.455 3.022 0 40 HGAB Nc1c(Br)cc(I)cc1I 642882851 DQPAGIQDLDKWGB-UHFFFAOYSA-N 423.817 3.241 0 40 HGAB Cn1ncc(C(=O)N[C@H](CO)c2cccc(C(F)(F)F)c2)c1Cc1ccccc1 1643654457 XTYSNRPCZASQKY-GOSISDBHSA-N 403.404 3.493 0 40 HGAB CCCCCCn1c(C)cn2c3c(=O)n(Cc4ccc(C)cc4)c(=O)n(C)c3nc12 5076258 UVUDCCNYCAUKGL-UHFFFAOYSA-N 407.518 3.395 0 40 HGAB O=C(/C=C/c1ccc(N2CCCC2=O)cc1)Nc1ccc(CN2C(=O)CCC2=O)cc1 12980319 HYWOJTCLMRVQNS-KPKJPENVSA-N 417.465 3.114 0 40 HGAB CCOc1ccccc1CCCNC(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O 13632325 GDPSRQTXSIUCCR-UHFFFAOYSA-N 418.559 3.217 0 40 HGAB O=C(Nc1nc2ccccc2s1)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 14015798 ZBMVZYAGHYCQQA-AWEZNQCLSA-N 401.513 3.336 0 40 HGAB Cc1ccc(NC(=O)COc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1Cl 16312960 MNLGDVVUAQJEFS-UHFFFAOYSA-N 408.907 3.450 0 40 HGAB CC(=O)N1CCc2cc(C(=O)CN3CCC[C@@](O)(c4ccc(F)cc4)CC3)ccc21 19019168 UHWJZRWCOIZRNI-DEOSSOPVSA-N 410.489 3.291 0 40 HGAB CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)N3CCOCC3)cc2c1 19522969 YLSHRSVYLWVUJM-NRFANRHFSA-N 422.533 3.004 0 40 HGAB COc1ccc(Cn2nnnc2[C@@H](c2ccccn2)N2CCc3ccccc3C2)cc1 19556152 ODUKHJRSORAGIY-HSZRJFAPSA-N 412.497 3.273 0 40 HGAB Cc1cc(C)n(C)c(=O)c1C(=O)N1CCC(CC(=O)N[C@@H](C)c2ccccc2)CC1 19748555 VHVZMWCAYOGAQX-SFHVURJKSA-N 409.530 3.122 0 40 HGAB COc1ccc(NCc2cc3c(OC)c(OC)c(OC)cc3[nH]c2=O)c(OC)c1 12144316 PILZXOAQMIMDIE-UHFFFAOYSA-N 400.431 3.183 0 40 HGAB Cn1cc(-c2cc(C(=O)N3CCC[C@H]([C@H]4CC(=O)c5cc(F)ccc5O4)C3)on2)cn1 13265513 QPAALWRCLYOWMP-RNODOKPDSA-N 424.432 3.100 0 40 HGAB Cn1nc2c(c1CN1CCN(c3cc(C(F)F)nc(C4CC4)n3)CC1)CCCC2 1888876224 NTQAVYVUMQTHGH-UHFFFAOYSA-N 402.493 3.226 0 40 HGAB CC(C)COC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OCC(C)C)[C@H]1c1ccc(F)cc1 4127226 XPJNTNUMQIGRLO-VAWZGJIGSA-N 422.493 3.264 0 40 HGAB COc1ccc(CC(=O)Nc2c3c(nn2-c2cccc(Cl)c2)C[S@@](=O)C3)cc1 4105989 JVTDSBKNECFBRS-MUUNZHRXSA-N 415.902 3.478 0 40 HGAB CCOc1ccc(N2C[C@H](NS(=O)(=O)c3ccc4ccccc4c3)CC2=O)cc1 4497749 VPFRXHJKDCALMR-GOSISDBHSA-N 410.495 3.322 0 40 HGAB COc1ccccc1NC(=O)Cc1csc(NS(=O)(=O)c2ccc(C)cc2)n1 9828585 YXFGDIWIFYYXKM-UHFFFAOYSA-N 417.512 3.442 0 40 HGAB CC(C)(C)c1ccc(C(=O)N[C@@]2(C(F)(F)F)NC(=O)N(C3CCCC3)C2=O)cc1 12401057 ICUCIELICHLVMF-LJQANCHMSA-N 411.424 3.467 0 40 HGAB Cc1ccc(S(=O)(=O)NC[C@@H](c2cccn2C)N2CCc3ccccc3C2)s1 21153728 ZRVKLJDMDIDDMJ-FQEVSTJZSA-N 415.584 3.473 0 40 HGAB COCC(=O)N1CCCc2ccc(NS(=O)(=O)c3ccc(F)c(Cl)c3)cc21 21756769 JXOVLPWAIVWDTN-UHFFFAOYSA-N 412.870 3.206 0 40 HGAB O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1cc2ccccc2s1 5241148 HSRFJAWPIKCVSI-UHFFFAOYSA-N 402.497 3.175 0 40 HGAB Cc1cccc(OC2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)n1 96119563 JWKKTOGZCYXGPB-UHFFFAOYSA-N 411.321 3.385 0 40 HGAB CN(C)CCOC(=O)c1ccc2c(c1)C(=O)N(c1ccc(N3CCCCC3)cc1)C2=O 30835931 XCNWWDDLTBKEQN-UHFFFAOYSA-N 421.497 3.196 0 40 HGAB O=C(COc1ccc2cc(-c3ccc(Cl)cc3)c(=O)oc2c1)N1CCC[C@@H]1CO 36569628 YMVNMBDHDOJINJ-QGZVFWFLSA-N 413.857 3.476 0 40 HGAB CCCCc1nc(C)c(C(=O)NCc2ccc(C(=O)N3CCN(C)CC3)cc2)s1 40106879 DROKCBHYMNXFCO-UHFFFAOYSA-N 414.575 3.112 0 40 HGAB COC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)[C@@]2(C)CC2(Cl)Cl)CC1 30684985 QXVDLINQNGIVJH-RHSMWYFYSA-N 419.736 3.282 0 40 HGAB COc1ccc(CNC(=O)[C@H](C(=O)c2ccccc2)n2cc(Cl)ccc2=O)cc1 819387 PWLWTQNWBIUUNF-FQEVSTJZSA-N 410.857 3.251 0 40 HGAB Cc1cccc2cc([C@H](c3nnnn3Cc3ccccc3)N3CCCC3)c(=O)[nH]c12 889368 GMHJUPYGGXVEOS-OAQYLSRUSA-N 400.486 3.057 0 40 HGAB CCOC(=O)[C@H](C)N1C(=O)S/C(=C\c2cccn2-c2ccc(OC)cc2)C1=O 1163712 UYECYOKDLDAAGM-IGWPVBGESA-N 400.456 3.474 0 40 HGAB Cc1ccc(NC(=O)c2ccc3c(c2)N(CC(=O)N2CCCC2)C(=O)C(C)(C)O3)cc1 1342426 CGNMXBCFWOXGKU-UHFFFAOYSA-N 421.497 3.374 0 40 HGAB CN(c1ccccc1)c1nc(N)nc(CSc2nnc(-c3ccc(F)cc3)n2C)n1 1431444 ZOOWSGCUNTZQPD-UHFFFAOYSA-N 422.493 3.449 0 40 HGAB Cc1ccc(NS(=O)(=O)c2ccc(C(=O)OCC(=O)NC3CCCC3)cc2)cc1 3393733 LCPMEDQEQZHOLT-UHFFFAOYSA-N 416.499 3.011 0 40 HGAB Cc1oc2cc3oc(=O)c(CC(=O)NCCCN4CCCC4=O)c(C)c3cc2c1C 4084321 IUUGKGGAEILHOR-UHFFFAOYSA-N 410.470 3.136 0 40 HGAB biogenic Cc1ccc(-n2nc3c(c2NC(=O)c2ccc4c(c2)OCO4)C[S@@](=O)C3)c(C)c1 4224591 BGJGVFWTPHCCPL-LJAQVGFWSA-N 409.467 3.232 0 40 HGAB C[C@@H]1CCC[C@@H](C)N1C(=O)CN1C(=O)N[C@](C)(c2cccc(Br)c2)C1=O 4304012 HVJOUSQIARRJHK-VLXJIEOASA-N 422.323 3.006 0 40 HGAB Cc1cccc(NC(=O)C(=O)NCCc2csc3nc(-c4cccc(C)c4)nn23)c1 4374870 AEDKCLMWTUKBOT-UHFFFAOYSA-N 419.510 3.372 0 40 HGAB COc1ccc(NC(=O)Cc2nnc(SCC(=O)c3ccc(F)cc3)n2C)cc1 4814657 VCJWUXWFEPMQSK-UHFFFAOYSA-N 414.462 3.119 0 40 HGAB CCc1nnsc1C(=O)Nc1sc2c(c1C(=O)NC[C@@H]1CCCO1)CCCC2 4941918 RMWQKAMXCWSHIK-NSHDSACASA-N 420.560 3.202 0 40 HGAB CC(=O)Nc1ccc(-c2ccc(=O)n3c2[C@@H]2C[C@@H](CN(C4CCOCC4)C2)C3)cc1 5433842 QLJOTKRTOXAILE-PKOBYXMFSA-N 407.514 3.072 0 40 HGAB biogenic,in-vitro CCOC(=O)c1cc(-c2ccc(N3CCOCC3)cc2)nn1-c1ccccc1C(=O)O 5694489 OHCLTJPHXIFMGW-UHFFFAOYSA-N 421.453 3.251 0 40 HGAB Cc1ccc2c(c1)c1c(n2C[C@H](O)CN2C(=O)c3ccccc3C2=O)C(=O)CCC1 6393454 FSRHTLMIPRHLER-HNNXBMFYSA-N 402.450 3.126 0 40 HGAB COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cc2c(s1)CC[C@H](C)C2 6657935 QUAJQNDUEPSVEQ-AWEZNQCLSA-N 411.527 3.398 0 40 HGAB NC(=O)c1c(NC(=O)COC(=O)c2cc(Cl)ccc2Cl)sc2c1CCC2 7007621 CTAXUWCDBRLPTE-UHFFFAOYSA-N 413.282 3.438 0 40 HGAB CC(C)CNC(=O)COC(=O)c1cc(-c2ccccc2)c(N2CCOCC2)s1 7016001 VHPXUYWUXAGZLY-UHFFFAOYSA-N 402.516 3.181 0 40 HGAB CCCCNS(=O)(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1 7423506 KLKRVQCJLABUOR-UHFFFAOYSA-N 402.925 3.219 0 40 HGAB Cc1ccc(S(=O)(=O)CCC(=O)OCC(=O)Nc2cccc(Cl)c2)cc1C 7940041 WFJDKVLVXQCHHE-UHFFFAOYSA-N 409.891 3.303 0 40 HGAB O=C(CCc1nc2ccccc2o1)OCc1cc(=O)n2c3c(sc2n1)CCCC3 7973432 AHUUIIVXVKCKQZ-UHFFFAOYSA-N 409.467 3.452 0 40 HGAB Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)C[C@@H]1Oc2ccccc2NC1=O 8388878 OPXNPZCKNIJWEK-NRFANRHFSA-N 404.470 3.237 0 40 HGAB CC(=O)c1cccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3c(C)cccc3C)C2)c1 8433814 PAXMBWKCBQDOER-GOSISDBHSA-N 408.454 3.041 0 40 HGAB CC[C@@H](Oc1ccccc1OC)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 8496441 DCOCSUQGJRUHCM-GOSISDBHSA-N 418.515 3.276 0 40 HGAB CCCCC[C@H](C)NC(=O)CSc1nc2cc(S(=O)(=O)N(C)C)ccc2o1 8506523 CLUIKDGEWTWONP-ZDUSSCGKSA-N 413.565 3.255 0 40 HGAB COc1ccc(C(=O)N/C(=C\c2ccc3c(c2)OCO3)C(=O)NCc2ccco2)cc1 8721000 PRGYQCHTQWAQOJ-ODLFYWEKSA-N 420.421 3.104 0 40 HGAB NC(=O)c1ccc(N2CCCC2)c(NC(=O)COc2cccc(Br)c2)c1 8726562 XRKBGNLYKWGQIM-UHFFFAOYSA-N 418.291 3.166 0 40 HGAB O=C(NCc1ccc(C(=O)N2CCCCC2)cc1)c1cccc(N2CCCC2=O)c1 8751474 WEIQUIDCSLDQAV-UHFFFAOYSA-N 405.498 3.370 0 40 HGAB CSCC[C@@H](CO)NC(=O)Cc1c(C)c2cc3c(C)c(C)oc3cc2oc1=O 8879656 UMAWURNQQVTHHJ-AWEZNQCLSA-N 403.500 3.237 0 40 HGAB biogenic CCn1c(SCC(=O)NCc2cccs2)nnc1-c1ccc2c(c1)OCCO2 9096204 BSFSLEFBBUIIEU-UHFFFAOYSA-N 416.528 3.206 0 40 HGAB COc1ccc(OC)c2sc(N(C[C@H]3CCCO3)C(=O)c3cc(C)n(C)n3)nc12 9122316 HITZASJEIUSZFK-CYBMUJFWSA-N 416.503 3.181 0 40 HGAB CCn1c(SCC(=O)N2CCCCCC2)nnc1-c1ccc2c(c1)OCCO2 9193266 GEUJQEHAUXGMPI-UHFFFAOYSA-N 402.520 3.231 0 40 HGAB CCOc1cc(-c2nnc(NC(=O)c3cc(C)on3)o2)cc(OCC)c1OCC 9204130 LLTQRJOUPDGFJV-UHFFFAOYSA-N 402.407 3.481 0 40 HGAB Cc1cc2nc(C)c(CCC(=O)NCc3ccc(N4CCCC4=O)cc3)c(C)n2n1 9607182 RZCKEYKVBRGLDU-UHFFFAOYSA-N 405.502 3.030 0 40 HGAB C[C@@H](NC(=O)C(=O)NC[C@H](c1cccnc1)N1CCc2ccccc21)c1ccccc1 9708093 UXHFHQHVAQQBRI-WZONZLPQSA-N 414.509 3.179 0 40 HGAB CN(C)S(=O)(=O)c1ccccc1CNC(=O)c1cc(F)c(Cl)cc1Cl 9899391 UEIUUTYDNWBQKL-UHFFFAOYSA-N 405.278 3.313 0 40 HGAB COc1cccc(NC(=O)[C@H](C)N(c2ccc(OC)c(Cl)c2)S(C)(=O)=O)c1 10434133 PGYISXFSEBDHLR-LBPRGKRZSA-N 412.895 3.150 0 40 HGAB CN(Cc1ccccc1N1CCCCC1)C(=O)c1ccc(S(=O)(=O)N(C)C)cc1 10899328 AHIFYTCIIXAGKY-UHFFFAOYSA-N 415.559 3.199 0 40 HGAB COc1ccc(CC(=O)N2CCN(c3ccc(-c4ccc(C)cc4)nn3)CC2)cc1 11695237 GZZOJWLLUIDIJX-UHFFFAOYSA-N 402.498 3.352 0 40 HGAB NS(=O)(=O)c1ccc(NC(=O)c2cc(-c3ccco3)nn2-c2ccccc2)cc1 11762547 NAFAEDXZMCDTIZ-UHFFFAOYSA-N 408.439 3.032 0 40 HGAB Cc1cc(C)n2nc(CC(=O)N3CCC[C@@H]3c3nc4cc(C)c(C)cc4[nH]3)nc2n1 12157498 NTWCJFUJAVQGAO-GOSISDBHSA-N 403.490 3.140 0 40 HGAB Cc1csc([C@@H](Cc2ccsc2)NC(=O)CCCN2C(=O)NC(C)(C)C2=O)n1 12227777 XKXAFOSORSBPBX-CQSZACIVSA-N 420.560 3.024 0 40 HGAB CC(=O)Nc1ccc(Nc2nc(Nc3ccccc3)nc(N3CCOCC3)n2)cc1 12235043 HYXJBVZSUOVKEG-UHFFFAOYSA-N 405.462 3.154 0 40 HGAB COC(=O)[C@@H](C)SC1=Nc2c(cnn2-c2ccc(Cl)cc2)C2=NCCCN12 12389753 RFCJWLQBOJNHHZ-LLVKDONJSA-N 403.895 3.274 0 40 HGAB COc1ccc(-c2cc3c(=O)n(CC(=O)Nc4cccc(C(C)=O)c4)ccn3n2)cc1 12414460 GLBZNRVZOMTAKW-UHFFFAOYSA-N 416.437 3.013 0 40 HGAB O=C(Nc1ccccc1)O[C@@H]1CO[C@@H]2[C@@H](Nc3nccc(-c4cccs4)n3)CO[C@H]12 12604724 CUZFSMUKQIJOJJ-QFHJOOASSA-N 424.482 3.401 0 40 HGAB biogenic,in-vitro O=S(=O)(c1ccc(F)c(F)c1F)N1CCN(c2nc3ccccc3s2)CC1 12744095 AWKBZIHMIGHHFF-UHFFFAOYSA-N 413.446 3.225 0 40 HGAB C[C@H]1CCc2c(sc(NC(=O)COC(=O)c3ccc4ccccc4n3)c2C(N)=O)C1 13139153 VFYSDKGXHWLSRU-LBPRGKRZSA-N 423.494 3.316 0 40 HGAB CC(=O)NC12C[C@H]3C[C@@H](C1)CC(C(=O)OCc1cc(F)cc4c1OCOC4)(C3)C2 14677655 WPKGRFKJOKFXJJ-BXBLUCELSA-N 403.450 3.211 0 40 HGAB Cc1ccccc1[C@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 17963378 SEQYEQFLXUJJAD-INIZCTEOSA-N 404.507 3.412 0 40 HGAB CN(CC(=O)Nc1ccc(OC(F)(F)F)cc1)C(=O)c1cc(=O)c2ccccc2o1 18012128 ZAWLFBIAHKQPEA-UHFFFAOYSA-N 420.343 3.402 0 40 HGAB COc1cccc(N(CC(=O)NCCc2ccccc2)S(=O)(=O)c2ccccc2)c1 18190230 LJXKSOOOQQYELC-UHFFFAOYSA-N 424.522 3.249 0 40 HGAB Cc1nc(C)n(C[C@@H](C)C(=O)N2CCC[C@@H](c3nc(C)n4c(C)csc34)C2)n1 19240383 MHMWHZHZKINPRQ-SJKOYZFVSA-N 400.552 3.263 0 40 HGAB C[C@H](CC(=O)NC1CCN(Cc2cc(-c3ccc(F)cc3)nn2C)CC1)n1cccn1 19455458 HWCARXAILVJCAH-QGZVFWFLSA-N 424.524 3.155 0 40 HGAB CCOC(=O)C1CCN(c2c3c(nc4cc(-c5cc(C)on5)nn24)CCCC3)CC1 19530417 HTJXOYXUUJDOCU-UHFFFAOYSA-N 409.490 3.351 0 40 HGAB COc1cccc(OC)c1OCC(=O)N1CCC[C@H]1c1n[nH]cc1-c1ccncc1 19568208 HGRCWCPVERWUTQ-KRWDZBQOSA-N 408.458 3.231 0 40 HGAB CN1CCN(c2cc(C(=O)Nc3ccccc3OCc3ccccn3)ccn2)CC1 19662563 OWIOFCGOHRJBQY-UHFFFAOYSA-N 403.486 3.060 0 40 HGAB O=C(CSc1nc2ccccc2o1)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 20026637 KZMPTZBBUFZZHA-ZDUSSCGKSA-N 422.553 3.197 0 40 HGAB COc1ccc(N([C@@H](C)C(=O)N(C)C2CCCCC2)S(C)(=O)=O)cc1Cl 20046374 AOTIWHBHNUQVHR-ZDUSSCGKSA-N 402.944 3.294 0 40 HGAB CCCOc1ccccc1CCCNC(=O)CN(c1ccc(F)cc1)S(C)(=O)=O 22335627 ZKATWUCORGJITI-UHFFFAOYSA-N 422.522 3.130 0 40 HGAB CC(C)C(=O)Nc1ccc(S(=O)(=O)NCC2CCN(Cc3ccco3)CC2)cc1 23127691 AAOOCWUUNZIXBZ-UHFFFAOYSA-N 419.547 3.065 0 40 HGAB COC(=O)C[C@@H](C)Nc1nc(CN2CCOCC2)nc2sc3c(c12)CC[C@H](C)C3 24528054 WLDZQYLLLZLCMT-UONOGXRCSA-N 418.563 3.012 0 40 HGAB COC(=O)c1c(C)[nH]c(C(=O)O[C@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)c1C 24828545 JLDOOTFSWUFSDG-ZHHULCEESA-N 402.491 3.048 0 40 HGAB CC(=O)c1ccc(N2CCN(CC(=O)N[C@H]3CCC[C@@H](C(F)(F)F)C3)CC2)cc1 26159150 SIPKVSYDKINDRQ-MSOLQXFVSA-N 411.468 3.249 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)N2CCC[C@@H]2c2cccnc2)cc1 27163402 PQNMITXKTHVLOC-QGFLDLQWSA-N 413.543 3.489 0 40 HGAB Cc1ccc([C@H](CNC(=O)c2nn(-c3ccc(C)c(C)c3)ccc2=O)N(C)C)cc1 28292772 LJYHHWDNSHUPMP-NRFANRHFSA-N 404.514 3.190 0 40 HGAB COc1ccc2cc([C@H](C)C(=O)N3CCN(CC(=O)N4CCCCC4)CC3)ccc2c1 28330572 RETPHWRMRXEGEJ-IBGZPJMESA-N 423.557 3.109 0 40 HGAB CNS(=O)(=O)Cc1ccccc1CNC(=O)N[C@H](CC(C)C)c1ccccc1 29317896 OTOOZUIKRFISAG-HXUWFJFHSA-N 403.548 3.322 0 40 HGAB CSc1cccc(N2C[C@H](C(=O)NC[C@H](c3cccc(F)c3)N(C)C)CC2=O)c1 29836454 BKBHCWNJKVMAOS-OXQOHEQNSA-N 415.534 3.320 0 40 HGAB CC(C)(C)c1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)Nc1ccc(F)c(F)c1)O2 30938467 UKZDZWWFFVKDGH-SFHVURJKSA-N 424.469 3.428 0 40 HGAB CCN(CC)[C@H](CNC(=O)[C@@H]1CCCN(C(=O)c2ccco2)C1)c1ccsc1 31984574 VBHHOOQOVGGJLV-SJLPKXTDSA-N 403.548 3.393 0 40 HGAB O=C([C@H]1CC(=O)N(c2ccc(F)cc2)C1)N1CCC(O)(c2ccc(Cl)cc2)CC1 32072439 TWSBVIXUPRXZJU-HNNXBMFYSA-N 416.880 3.342 0 40 HGAB COc1ccc(OC)c(NC(=O)c2nn(C)c3c2Cc2cc(OC)c(OC)cc2-3)c1 32103877 MOAOPUZULWJKRC-UHFFFAOYSA-N 409.442 3.278 0 40 HGAB CCn1nnc(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)n1 32127077 GHKDTNOMBCCEAJ-UHFFFAOYSA-N 411.274 3.387 0 40 HGAB Cc1ccc(S(=O)(=O)CCC(=O)O[C@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)cc1 32636265 VGBOIYAFJLMOBL-HZPDHXFCSA-N 421.490 3.107 0 40 HGAB CCC[C@H](C)NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCCC1 32962422 SHCGUXAQPIGTBV-KRWDZBQOSA-N 407.580 3.380 0 40 HGAB CC[C@H](C)[C@H](NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc(Cl)cc1F)C(=O)OC 36579807 SQOPRNAXDWZKHQ-PBQZTSCYSA-N 422.888 3.447 0 40 HGAB O=C1COc2cc(Br)ccc2N1CC(=O)N1CCC[C@H]2CCCC[C@@H]21 40093414 VRJLDYUYEZCFST-HIFRSBDPSA-N 407.308 3.356 0 40 HGAB CN(Cc1ccccc1)C(=O)CN1C(=O)N[C@@](C)(c2ccccc2C(F)(F)F)C1=O 40116695 CCBMCXABCJSBSS-FQEVSTJZSA-N 419.403 3.131 0 40 HGAB COC(=O)c1cc(CN(C)C(=O)c2ccc(NC(=O)c3ccccn3)cc2)oc1C 44975122 AVSMLILBSGMCJC-UHFFFAOYSA-N 407.426 3.294 0 40 HGAB CCC(=O)Nc1cc(-c2ccc(C)cc2)nn(CC(=O)Nc2ccc(F)cc2)c1=O 46079292 KIZKQVGVTHYLGO-UHFFFAOYSA-N 408.433 3.345 0 40 HGAB O=C(NC1CCN(c2ccc(S(=O)(=O)C(F)(F)F)cc2)CC1)c1ccccc1 47510343 VQGQQSXOZUPKOI-UHFFFAOYSA-N 412.433 3.379 0 40 HGAB CCc1ccc(NC(=O)[C@@H](C)N2CCN(CCCOCC(F)(F)F)CC2)cc1 48332830 TXAWNTLLXBQDIL-MRXNPFEDSA-N 401.473 3.163 0 40 HGAB Fc1ccccc1N1CCN(Cc2nnnn2-c2ccc(C(F)(F)F)cc2)CC1 54152561 BGSHRIUSLYQWIQ-UHFFFAOYSA-N 406.387 3.142 0 40 HGAB CC(C)(C)n1nc2c(c1-n1cccc1)CN(C(=O)c1cnn(-c3ccccc3)n1)C2 56907350 XKMHLNPYXLFBMJ-UHFFFAOYSA-N 401.474 3.166 0 40 HGAB CCc1c(C)sc(NC(=O)CN2CCN(c3cccc(C)c3)[C@H](C)C2)c1C(N)=O 57720353 XKIMQMYARWOZMB-OAHLLOKOSA-N 414.575 3.175 0 40 HGAB COc1cc(C)c2[nH]c3c(c(=O)c2c1)CN(CC(=O)Nc1cc(F)ccc1F)CC3 67349956 PWTWAVBNZKODCF-UHFFFAOYSA-N 413.424 3.120 0 40 HGAB CN(C(=O)[C@@H]1CSCN1S(=O)(=O)c1ccc(C2CCCCC2)cc1)C1CC1 72054887 BVJAPVBQPLJFKY-IBGZPJMESA-N 408.589 3.419 0 40 HGAB CC[C@H](NC(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1)c1nnc2n1CCCCC2 72318843 WJNSBOFUHGTEGH-ZWKOTPCHSA-N 411.506 3.003 0 40 HGAB N[C@@H](Cc1ccccc1)C(=O)N1Cc2cc(Cl)ccc2OC2(CCOCC2)C1 72334286 SIFQOAHLRXEASW-IBGZPJMESA-N 400.906 3.180 0 40 HGAB CNc1cc([C@@H]2CCCN(Cc3cccc(C)c3OC)C2)nc(CN(C)C(C)=O)n1 72370152 DJFPTVFICHQILE-GOSISDBHSA-N 411.550 3.193 0 40 HGAB O=C(c1ccoc1)N1CCC(CNS(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 77099737 BLWPTIJVMJJKCC-UHFFFAOYSA-N 416.421 3.129 0 40 HGAB Cc1cc(NC(=O)[C@@H](C)SCC(=O)N(Cc2cccs2)C[C@H]2CCCO2)no1 84119772 VQDANHOWVDNWEJ-HUUCEWRRSA-N 423.560 3.313 0 40 HGAB CCOc1cc(/C=C2/N=C(c3cccc(C)c3)OC2=O)ccc1OCC(=O)N(C)C 96634974 BRUCYRGQQOBNRB-LDADJPATSA-N 408.454 3.205 0 40 HGAB COC(=O)[C@@H](Sc1nnc(N2CCOCC2)n1CC(C)C)c1ccccc1C 97163221 HYXBXNLVBJZGMH-KRWDZBQOSA-N 404.536 3.086 0 40 HGAB Cc1nn2c(O)c3c(nc2c1-c1ccccc1)CN(C(=O)CCCn1ccnc1C)C3 100215400 PXLWIKQASQKWAR-UHFFFAOYSA-N 416.485 3.238 0 40 HGAB CC(C)OCCCNS(=O)(=O)c1ccc(NCc2ccccc2)c(C(=O)O)c1 217645593 XHGSGBZDYWWUQN-UHFFFAOYSA-N 406.504 3.090 0 40 HGAB CC1(C)C[C@@H](NC(=O)CN(c2ccc(F)cc2F)S(C)(=O)=O)c2ccccc2O1 220094113 JFWBCVHCASNDNV-MRXNPFEDSA-N 424.469 3.149 0 40 HGAB COCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1C[C@@H]1CCCO1 223047147 JMDQHMYQOQEKLZ-FFZOFVMBSA-N 400.548 3.071 0 40 HGAB COc1ccccc1CNC(=O)c1cc2cc(N(C)S(C)(=O)=O)ccc2s1 223073626 GZBOSFXKMJPATE-UHFFFAOYSA-N 404.513 3.236 0 40 HGAB COCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(OC)cc1)C(=O)C(C)C 223271732 RSOKCFKXHLMUGO-QFIPXVFZSA-N 412.530 3.054 0 40 HGAB Cc1ccc(CN(C)S(=O)(=O)c2nnc(NC(=O)c3cccc(C)c3)s2)cc1 223437819 DXQXLCYMPJMRJB-UHFFFAOYSA-N 416.528 3.228 0 40 HGAB CN(C)c1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)cc1 223625283 WUKFGCFRORPLFZ-YADHBBJMSA-N 421.570 3.293 0 40 HGAB CC(C)c1ccccc1OCCNC(=O)[C@H](C)N(c1ccc(F)cc1)S(C)(=O)=O 223769926 QWIMVRHTDVRARB-INIZCTEOSA-N 422.522 3.299 0 40 HGAB COC(=O)c1cccc(S(=O)(=O)Nc2sc3c(c2C(=O)OC)CCCC3)c1 223868523 HWCKPCHREROBAR-UHFFFAOYSA-N 409.485 3.001 0 40 HGAB COc1ccccc1[C@@H](C)NC(=O)CCCN(c1ccccc1F)S(C)(=O)=O 224046589 WXVRMUVUXZQPHU-OAHLLOKOSA-N 408.495 3.258 0 40 HGAB Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)N[C@H](C)c3ccc(F)cc3)s2)c1 224591643 KWGFLRIBJFBDRY-GFCCVEGCSA-N 420.491 3.277 0 40 HGAB Cc1ccc(N(CC(=O)Nc2ccc(N3CCCCC3)cc2)S(C)(=O)=O)cc1 224945764 POWHLHKRZPPRKT-UHFFFAOYSA-N 401.532 3.390 0 40 HGAB CCCSc1nnc(NC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)s1 225333646 DCRXBGGSUFXIJK-UHFFFAOYSA-N 420.969 3.098 0 40 HGAB COc1ccc(NC(=O)[C@@]2(C)CCCN(c3ccccc3)S2(=O)=O)cc1OC 225951087 FYNPPQDVTWLHFT-HXUWFJFHSA-N 404.488 3.031 0 40 HGAB COc1ccccc1N1CCN(C[C@H](O)CO[C@@H]2C(C)(C)[C@H]3CC[C@@]2(C)C3)CC1 253478450 LBAQYJOJTNEFOU-ZFMISHDWSA-N 402.579 3.410 0 40 HGAB O=C(CCN1CCOCC1)N1CCCC[C@H]1c1nnc(-c2nccc3ccccc23)o1 257211240 BYBQXKGEXFOQRR-IBGZPJMESA-N 421.501 3.061 0 40 HGAB CC(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](CCN4C(=O)c5ccccc5C4=O)OCC[C@@]31C2 257335675 YLJDAIVEILZDSS-OYEOINPBSA-N 410.514 3.019 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCN([C@H](CCC(=O)O)c3ccc(F)cc3)CC2)cc1 408606579 ISVPHYCSYAYPKH-HXUWFJFHSA-N 420.506 3.047 0 40 HGAB Cc1ccc(CN(CC(=O)N2CCC(C)CC2)S(=O)(=O)c2ccccc2)cc1 409003466 HDTLGSVGMAAHSJ-UHFFFAOYSA-N 400.544 3.444 0 40 HGAB CCOCCCNC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccc(C)cc1 409128701 KQPABKCUVLOTNK-UHFFFAOYSA-N 418.559 3.350 0 40 HGAB Cc1ccc(S(=O)(=O)NCC(=O)Nc2ccc(OCc3ccccc3)cc2)cc1 409134004 RIBGZQOQQXQJJA-UHFFFAOYSA-N 410.495 3.491 0 40 HGAB CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)N2C(=O)CSC2=N1 409137216 UUJLMXAURDSJPP-GOSISDBHSA-N 404.488 3.307 0 40 HGAB CCc1ccc(-n2c(CCc3ccccc3)nnc2SCC(=O)NCCOC)cc1 409208552 CTCSOULGZZQFKU-UHFFFAOYSA-N 424.570 3.470 0 40 HGAB Cc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(=O)N[C@@H](C)c1ccccc1 409388590 FANXGRYFHQTZIV-KRWDZBQOSA-N 402.516 3.036 0 40 HGAB O=C(NC1CCCC1)[C@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2Cl)C1 409392606 RYZORXLVVCXPLW-LBPRGKRZSA-N 405.347 3.453 0 40 HGAB Cn1cc(C[C@@H](CNC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)cn1 521394027 QRBRWXDSSLZBEA-INIZCTEOSA-N 405.454 3.202 0 40 HGAB O=C(NCCc1ccccc1)c1ccc(NC(=O)N2CC[C@H](N3CCCC3)C2)cc1 524044155 OXIYRBSWZMMGGM-QFIPXVFZSA-N 406.530 3.361 0 40 HGAB Cc1cncc(OCC[C@@H]2CCOC3(C2)CN(C(=O)c2cc4ccccc4[nH]2)C3)n1 575402446 AMNJFFFADHMIFA-QGZVFWFLSA-N 406.486 3.357 0 40 HGAB COC(=O)[C@H](CNC(=O)CNc1cccc(C(F)(F)F)c1)Cc1cccc(F)c1 609280385 ITRZBPBHXQDZGL-AWEZNQCLSA-N 412.383 3.405 0 40 HGAB Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](COc2ncccc2C(F)(F)F)C1 1775969468 TUFDRQAJQRAGMD-ZDUSSCGKSA-N 419.425 3.185 0 40 HGAB Cc1cc(S(=O)(=O)N2C[C@H]3CCN(c4ncccn4)CC[C@H]3C2)c(C)cc1Cl 2056223300 FDXKBJPBYMUGCO-CALCHBBNSA-N 420.966 3.284 0 40 HGAB Cc1ccnc(N2CCC[C@]3(CCCN(S(=O)(=O)c4sccc4C)C3)C2)n1 2056224541 URVYZBOUHZKHFX-IBGZPJMESA-N 406.577 3.226 0 40 HGAB COc1cccc(NC(=O)[C@H](OC(=O)[C@H]2CCCN(C(C)=O)C2)c2ccccc2)c1 29895751 ZAKRZIVHTOOOEW-GHTZIAJQSA-N 410.470 3.177 0 40 HGAB CCOc1ccc(CCC2CCN(C(=O)CN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)CC2)cc1 102588253 OTLZTLZZIRUJFP-FGZHOGPDSA-N 424.541 3.208 0 40 HGAB COc1ccc(OC)c(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3C)CC2)c1 811711 YPHWBGJUBLNZOW-UHFFFAOYSA-N 418.515 3.052 0 40 HGAB Cc1ccc(-n2cc3c(n2)NCCc2cnc(N4CCN(C(C)C)CC4)nc2-3)cc1 32918702 ZXRLTJGCSYNQMQ-UHFFFAOYSA-N 403.534 3.136 0 40 HGAB COC(=O)CCCN1CCN(C(=O)c2sc(-c3ccccc3)cc2OC)CC1 79022522 ZMFMMYNANOPUNG-UHFFFAOYSA-N 402.516 3.135 0 40 HGAB Cc1cccn2c(NC(=O)CN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)c(-c3ccccc3)nc12 21832082 UXJRZBCMKQKZJM-QZTJIDSGSA-N 414.465 3.199 0 40 HGAB CN1N=C(C(=O)N(C/C=C/c2ccccc2)c2ccc3c(c2)OCCO3)CCC1=O 53176519 YMBMLECTXKDDRY-VMPITWQZSA-N 405.454 3.112 0 40 HGAB Cc1cccc(NC(=O)CSc2nnc(CC(=O)Nc3ccccc3)n2C)c1C 6479121 AMBMTAPAZVIVLL-UHFFFAOYSA-N 409.515 3.344 0 40 HGAB COc1ccc(OCCN2CCN(Cc3nc(-c4ccsc4)no3)CC2)cc1 22931842 CIRCHFLBKXLOEC-UHFFFAOYSA-N 400.504 3.003 0 40 HGAB CCC(=O)N1CCC[C@H]1c1cc2nc3c(c(O)n2n1)CCN(C[C@H]1CC=CCC1)C3 100234315 HSLSPXZAKUIGGW-JXFKEZNVSA-N 409.534 3.223 0 40 HGAB CC(=O)N1CCCc2cc([C@H](O)CN3CCN(c4cc(C)ccc4C)CC3)ccc21 57811737 WPUGREDALRTAPX-RUZDIDTESA-N 407.558 3.458 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@@H](C)c3ccccc3)C2)cc1C 9973825 BNHUNKMEJGSRTQ-PKOBYXMFSA-N 416.543 3.282 0 40 HGAB CN1CCN(c2ccc(CNC(=O)c3ccccc3OCc3ccccc3)cn2)CC1 24193276 GBRJHCUUTJASMA-UHFFFAOYSA-N 416.525 3.342 0 40 HGAB CCNc1nc(N2CCN(c3ccccn3)CC2)nc2c1C(=O)C[C@@H](c1ccco1)C2 20801934 CAAXELIIGWLSSK-INIZCTEOSA-N 418.501 3.136 0 40 HGAB CC(C)c1ccccc1-n1ccnc1S[C@@H](C)C(=O)N1CCC[C@@H](C(N)=O)C1 25414348 FXXGWORSYPQIQW-JKSUJKDBSA-N 400.548 3.200 0 40 HGAB O=C(CNc1cccc(-c2nnnn2C2CC2)c1)Nc1ccccc1OC(F)F 12523406 ZSXNYCUFKSLUFK-UHFFFAOYSA-N 400.389 3.327 0 40 HGAB Cc1cc(Br)ccc1NC(=O)CN1CCN(c2ccccc2O)CC1 57292121 ZANBWDCSVVBHDR-UHFFFAOYSA-N 404.308 3.224 0 40 HGAB Cc1cccc(NS(=O)(=O)c2ccc(C(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)c1C 12521163 FPRQSKDUOBBMFC-HOTGVXAUSA-N 402.516 3.354 0 40 HGAB C[C@@H]1CCCCN1C(=O)Cn1c(=O)n(-c2cccc(Cl)c2)c(=O)c2sccc21 57491453 RUQQSCSQICJSGN-CYBMUJFWSA-N 417.918 3.268 0 40 HGAB COC(=O)c1ccc(NC(=O)c2cn(C)nc2-c2ccc3c(c2)OCCCO3)cc1 20895382 LSLQKAMJFPZQCC-UHFFFAOYSA-N 407.426 3.287 0 40 HGAB CN(CC(=O)Nc1ccc(OC(F)(F)F)cc1)Cc1cc(=O)oc2cc(O)ccc12 12695597 GBQQKALOIJTGME-UHFFFAOYSA-N 422.359 3.468 0 40 HGAB CCOc1ccc([C@H](C)NC(=O)CN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 20040737 BYJMJGLZZWNNDT-KRWDZBQOSA-N 404.532 3.346 0 40 HGAB O=C(NCc1ccccc1Cn1cccn1)C1CCN(C(=O)c2ccc(F)cc2)CC1 10234811 ZZSNZOBEEXDQFH-UHFFFAOYSA-N 420.488 3.239 0 40 HGAB Cc1nn(Cn2ccc(C(=O)N[C@H](C)c3ccccc3)n2)c(C)c1Br 27973357 CJJNJWPYAPEBHN-GFCCVEGCSA-N 402.296 3.456 0 40 HGAB CCC(=O)Nc1nnc(SCc2cc(=O)n3c4c(sc3n2)CCCC4)s1 20984454 FZWXXLQSCRCEAU-UHFFFAOYSA-N 407.546 3.127 0 40 HGAB C[C@H]1CCC[C@H](C)N1C(=O)COC(=O)c1ccc(I)cc1 3341396 OOUKIVONHVLVQW-RYUDHWBXSA-N 401.244 3.238 0 40 HGAB COc1ccc(Br)cc1CN(C)C(=O)C1CCN(C(=O)C2CC2)CC1 29289061 YIOZRWSNJFUDHG-UHFFFAOYSA-N 409.324 3.065 0 40 HGAB COc1ccc(-c2nc(COC(=O)Cc3c(C)nn(C)c3C)cs2)cc1OC 11719151 NKWDIWNXUMBKHK-UHFFFAOYSA-N 401.488 3.464 0 40 HGAB Cn1nc2c(c1NC(=O)c1ccc(NS(=O)(=O)c3ccc(F)cc3)cc1)CCC2 48302732 AWMKXICDDONAPB-UHFFFAOYSA-N 414.462 3.101 0 40 HGAB CN(CCOc1ccccc1)C(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl 12998778 LYCPDZRBHDJYOK-UHFFFAOYSA-N 422.934 3.276 0 40 HGAB CCc1ccccc1NC(=O)CNC(=O)c1nn(-c2ccccc2Cl)c(C)cc1=O 17902567 ZYKSTKPGNXCVCL-UHFFFAOYSA-N 424.888 3.125 0 40 HGAB COc1ccc(C[C@@H](C(=O)Nc2cccc3ccccc23)c2nn[nH]n2)c(OC)c1 6736125 SQBAENTVDPIHNY-GOSISDBHSA-N 403.442 3.335 0 40 HGAB C[C@H](Oc1ccccc1)c1nnc(SCC(=O)Nc2nnc(C3CC3)s2)n1C 4814880 LYRVTUBUZYGLCA-NSHDSACASA-N 416.532 3.415 0 40 HGAB Cc1cc(NC(=O)c2nnn(Cc3cccc(F)c3)c2N)ccc1Br 4852530 CINZHXHCDPAHEO-UHFFFAOYSA-N 404.243 3.371 0 40 HGAB CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)O[C@H](C)C(=O)c2ccc(F)cc2)cc1 5915222 JPXNKZWBHGLCDO-UONOGXRCSA-N 407.463 3.331 0 40 HGAB O=C([C@H]1CC(=O)N(c2ccccc2F)C1)N1CCN(c2cccc(Cl)c2)CC1 7106207 ADFOHRUKKUMHJX-HNNXBMFYSA-N 401.869 3.181 0 40 HGAB CCS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1ccc2nc(C)sc2c1 7238856 FFSKIISFMDOAHI-SFHVURJKSA-N 415.540 3.320 0 40 HGAB O=C(NC1CCN(Cc2ccccc2)CC1)c1csc(NC[C@H]2CCCO2)n1 71286035 KADUGNOZAIBAQT-GOSISDBHSA-N 400.548 3.128 0 40 HGAB Cc1cccc(-c2nnc(SCC(=O)NC[C@H]3CCCO3)n2Cc2ccco2)c1 7780179 GJCKMJKRZAATLL-QGZVFWFLSA-N 412.515 3.282 0 40 HGAB COc1cc(Cl)c(C)cc1N1C(=O)C[C@@H](Nc2ccc(CC(=O)O)cc2)C1=O 7813556 GMIFWDJFGUBVJZ-OAHLLOKOSA-N 402.834 3.028 0 40 HGAB CN(Cc1ccc2c(c1)OCO2)C(=O)c1ccc(Cn2nnc3ccccc32)cc1 8312728 DBFUNALJXQLGJN-UHFFFAOYSA-N 400.438 3.481 0 40 HGAB O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)CCc2nc3ccccc3o2)CC1 9535356 NQTRGABWRKCBCA-UHFFFAOYSA-N 421.453 3.366 0 40 HGAB CNC(=O)[C@@H](C)SC1=N/C(=C/c2ccc(OC)cc2)C(=O)N1Cc1ccccc1 96893554 WCCSPZHDEALGGB-DQPIFXJKSA-N 409.511 3.302 0 40 HGAB CC(=O)C[C@@]1(O)C(=O)N(CCCOc2ccccc2)c2ccc(Br)cc21 9872939 CUJUYSRJXVYNAA-FQEVSTJZSA-N 418.287 3.432 0 40 HGAB CCOc1ccccc1N1C[C@H](C(=O)NCCc2cccc3cccnc23)CC1=O 95947319 HQQHPBWFSFLJPO-LJQANCHMSA-N 403.482 3.345 0 40 HGAB COc1ccccc1[C@H](c1nnnn1C(C)(C)C)N1CCN(c2ccccc2F)CC1 20139546 LDDXMTQUQDPBCM-OAQYLSRUSA-N 424.524 3.487 0 40 HGAB CN(CCc1ccccn1)c1nc(CN2CCOCC2)nc2sc3c(c12)CCC3 24096810 SRJQQGAUHZWNQU-UHFFFAOYSA-N 409.559 3.086 0 40 HGAB O=C(NCc1ccccc1)C1CCN(C(=O)CCc2cnn(-c3ccccc3)c2)CC1 31493348 ZLNUGCWRQPTMPS-UHFFFAOYSA-N 416.525 3.360 0 40 HGAB Cc1nc2c(cc1C(=O)N[C@H]1CC3(CCN(C)CC3)Oc3ccccc31)c(C)nn2C 520495103 VHUUPAMELOXJMM-FQEVSTJZSA-N 419.529 3.303 0 40 HGAB O=C(Cn1ccc2ccn(Cc3ccccc3F)c2c1=O)Nc1ccc2c(c1)OCO2 62007377 CHCVCWOPUIGQCR-UHFFFAOYSA-N 419.412 3.358 0 40 HGAB Cc1ccccc1Cn1nc2n(CCc3ccccc3)c(=O)c3sccc3n2c1=O 64946318 URODEDCWCVXLGG-UHFFFAOYSA-N 416.506 3.472 0 40 HGAB CCn1cc(CN2CCCC[C@H]3CN(C(=O)c4cccc(OC)c4OC)C[C@H]32)cn1 72330686 WWRJVKYMZQEHDC-AZUAARDMSA-N 412.534 3.047 0 40 HGAB COc1cc([C@H]2CC(=O)N(c3ccccc3)c3c2sc(=O)n3C)cc2c1OCO2 66089684 REVZSRBEGFVOMJ-CQSZACIVSA-N 410.451 3.384 0 40 HGAB COc1ccc(NC(=O)c2ccc(Cn3cnc4ccccc4c3=O)o2)c(OC)c1 36358986 DGWOWDGLXABCAR-UHFFFAOYSA-N 405.410 3.307 0 40 HGAB CC[C@H](NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1)c1ccc(OC)cc1 225603548 YHWWVXUHUYJGCX-FQEVSTJZSA-N 414.527 3.424 0 40 HGAB CC[C@H](C(=O)N[C@H](C)COc1ccc(C)cc1)N(c1cccc(C)c1)S(C)(=O)=O 220525016 RMJPKGYYHNUIBW-WIYYLYMNSA-N 418.559 3.432 0 40 HGAB Cc1ccc(Nc2nc3c(c(=O)[nH]2)[C@H](C(=O)Nc2ccc(C)cc2F)CC(=O)N3)cc1 40400537 YVZBYSOZARQMRX-CQSZACIVSA-N 421.432 3.334 0 40 HGAB COC(=O)CSc1nnc(NC(=O)[C@@H](C)Oc2ccc3ccccc3c2)s1 223091871 MKGLUUWIOYAXEV-LLVKDONJSA-N 403.485 3.362 0 40 HGAB O=C(C1=NN(Cc2ccc(Cl)cc2)c2ccccc2S1(=O)=O)N1CCCC1 49402505 WFJVKWREIGGUOK-UHFFFAOYSA-N 403.891 3.070 0 40 HGAB CC[C@@H](NC(=O)[C@@H](c1ccccc1)N(C)S(C)(=O)=O)c1ccc(OC)c(C)c1 225036365 IMEOOUFWRDMDJL-UYAOXDASSA-N 404.532 3.204 0 40 HGAB CNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CSCc1cccc(C)c1 222821830 VSJAEAZVGIZGND-QGZVFWFLSA-N 400.544 3.400 0 40 HGAB COc1ccc(OC)c([C@@H](C)NC(=O)CSc2nc3nc(C)c(C)c(C)n3n2)c1 40119194 KYMVOVMZRVGPPI-CYBMUJFWSA-N 415.519 3.036 0 40 HGAB CCC(=O)N(Cc1ccc(Cl)cc1)[C@H](Cc1ccccc1)C(=O)NCCOC 223122866 NXRMMJOOWVOGCN-HXUWFJFHSA-N 402.922 3.453 0 40 HGAB Cn1nccc1[C@@H](CC(=O)O)c1c(O)ccc2c(=O)c(-c3ccc(O)cc3)coc12 96221784 BMBMWYUKUXZGSV-OAHLLOKOSA-N 406.394 3.211 0 40 HGAB biogenic CCCS(=O)(=O)N1CCC2(CC1)C[C@H](CC(=O)NCC(C)C)c1ccccc1O2 96243345 SEENLVMJPVFTFK-SFHVURJKSA-N 422.591 3.289 0 40 HGAB CCOc1cc(/C=C2/N=C(c3ccccc3C)OC2=O)ccc1OCC(=O)N(C)C 97987596 HDCKWSRPENMVJG-LDADJPATSA-N 408.454 3.205 0 40 HGAB COc1ccc(-c2noc([C@@H](C)NS(=O)(=O)c3ccccc3)c2C(=O)O)cc1 96297035 CLMDYLCRDYJMFA-GFCCVEGCSA-N 402.428 3.088 0 40 HGAB biogenic,in-vitro COc1cc(OC)c(OC)cc1CN1[C@H]2CC[C@H]1c1cnc(N3CCCC3)nc1C2 247878584 PCQKUMLKSRQUML-LPHOPBHVSA-N 410.518 3.364 0 40 HGAB O=C(N[C@@H]1CCN(c2ccc(C(F)(F)F)cn2)C1)c1cncc(Br)c1 253473125 RMNFOEYXZZLZSH-CYBMUJFWSA-N 415.213 3.267 0 40 HGAB CC(=O)N1CCC(Cc2ccccc2F)(C(=O)N2CCC[C@H](c3ccn[nH]3)C2)CC1 257273229 NFTIIBCOOPCFSZ-IBGZPJMESA-N 412.509 3.126 0 40 HGAB Cc1nc([C@H]2CCCN(C(=O)c3ccccn3)C2)nc(C)c1CC(=O)NC1CCCC1 257254122 KBRWBOVGJYPIKT-SFHVURJKSA-N 421.545 3.110 0 40 HGAB COc1cccc(-c2cncc([C@H]3CN(C(=O)Cn4ccnc4C(C)C)CCO3)n2)c1 257251302 JQEMYLXUQVFYEN-OAQYLSRUSA-N 421.501 3.072 0 40 HGAB O=C(c1ccsc1)N1CCN(c2ccc(-c3noc(C(F)(F)F)n3)cn2)CC1 90558877 ZYEAHRZGDIQOSL-UHFFFAOYSA-N 409.393 3.174 0 40 HGAB C[C@@H]1CCc2noc(C3CCN(C(=O)CCn4ncc5ccccc5c4=O)CC3)c2C1 72392455 GEYGFSUOBWUYPI-MRXNPFEDSA-N 420.513 3.306 0 40 HGAB CC(C)N1C(=O)c2ccccc2[C@@H](C(=O)N(C)C)C12CCN(Cc1ccncc1)CC2 1549166782 IOJJNGNFCRKETQ-QFIPXVFZSA-N 420.557 3.152 0 40 HGAB O=C(COC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)Nc1cccc(Cl)c1Cl 5241742 QZMDWQIHAWBHRY-LLVKDONJSA-N 411.241 3.117 0 40 HGAB COCCOC(=O)C1=C(C)NC(=S)N[C@H]1c1cccc(OCc2ccccc2)c1 5937313 RENNMRIXKRHVMY-FQEVSTJZSA-N 412.511 3.248 0 40 HGAB CC1(C)Cc2nc(-c3cnccn3)ncc2[C@@H](NC(=O)COc2cccc(F)c2)C1 12239054 YQOWOJZPPRXICQ-KRWDZBQOSA-N 407.449 3.281 0 40 HGAB Cc1ccc(-c2nnc([C@H]3CCCN3S(=O)(=O)c3ccc(F)c(F)c3)o2)cn1 19215126 WJDJHCYYQYSTGO-MRXNPFEDSA-N 406.414 3.244 0 40 HGAB O=C(NCc1ccc2c(c1)CCCO2)C1CCN(c2ncnc3ccccc23)CC1 19376145 OIFXDXLEEYIMEJ-UHFFFAOYSA-N 402.498 3.488 0 40 HGAB CNC(=O)[C@]1(Cc2ccccc2-c2cncnc2)CCCN(Cc2ccccn2)C1 19591329 MGMKWPYONXMYTF-DEOSSOPVSA-N 401.514 3.110 0 40 HGAB COCCOc1ccc(CN2C[C@H](CN3CCOCC3)c3ccccc32)cc1OC 19593747 XIIDUTTVSDLZRS-FQEVSTJZSA-N 412.530 3.156 0 40 HGAB CC(C)(C(=O)N1CCC2(CC1)NC(=O)N(Cc1ccccc1)C2=O)c1ccc(F)cc1 19718535 BLWHFLNZSVSQFT-UHFFFAOYSA-N 423.488 3.217 0 40 HGAB COCC(=O)N1CCC[C@@](O)(c2nc(C)c(CCOc3ccc(F)cc3)s2)CC1 19738697 SEPODYCIAFGSDT-NRFANRHFSA-N 422.522 3.059 0 40 HGAB CC(C)c1csc(NC(=O)c2ccc(=O)n(CC(=O)NC3CCCCC3)c2)n1 19749357 HWYUMIZWSQVFEN-UHFFFAOYSA-N 402.520 3.129 0 40 HGAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)Sc1nnc(C[C@@H]2CCS(=O)(=O)C2)o1 7046104 STQZKQPRMZKJNW-OLZOCXBDSA-N 419.528 3.200 0 40 HGAB CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NC[C@@H](c1ccco1)N1CCCCC1 27498455 PJWWVYFGFMHCKH-YADHBBJMSA-N 422.529 3.152 0 40 HGAB CSCc1nnc(NC(=O)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)o1 2720222 SQBJGRDOLHHQEX-UHFFFAOYSA-N 424.548 3.138 0 40 HGAB O=C(Cn1nc(-c2ccc3ccccc3c2)ccc1=O)Nc1ccc2c(c1)OCCO2 5398925 XRDSPECQPZJWOZ-UHFFFAOYSA-N 413.433 3.473 0 40 HGAB CCOCCn1/c(=N/C(=O)c2ccc(S(C)(=O)=O)cc2)sc2cccc(F)c21 101042148 XATGZGJMKLJPOE-VZCXRCSSSA-N 422.503 3.023 0 40 HGAB CSc1ccccc1NC(=O)c1ccc(S(=O)(=O)NCc2cccnc2)o1 35597577 IGMQRHXSSSRCCE-UHFFFAOYSA-N 403.485 3.127 0 40 HGAB O=C(NCc1nnc2ccc(-c3cccs3)nn12)c1ccc(C(F)(F)F)nc1 225763417 XEFNICRDNKTAPS-UHFFFAOYSA-N 404.377 3.197 0 40 HGAB CCN(CC)C(=O)N1CCC(C(=O)NCc2ccc(N3CCCCCC3)nc2)CC1 40122107 RJZOJYOBFLTBRL-UHFFFAOYSA-N 415.582 3.252 0 40 HGAB COc1cc(CS(=O)(=O)[C@H](C)C(=O)N(C)c2ccccc2)ccc1OC(F)F 40106105 RCOJCHYCSVDHMH-CYBMUJFWSA-N 413.442 3.263 0 40 HGAB Cc1cccc2c(=O)n(CCCC(=O)NCCc3nc4ccccc4s3)cnc12 32845831 LNBASPIWDFYQIH-UHFFFAOYSA-N 406.511 3.454 0 40 HGAB Cc1cccc(NC(=O)CN2C(=O)S/C(=C\C(=O)Nc3ccc(F)cc3)C2=O)c1 1298477 ZMKHEWNSIBEFSQ-YBEGLDIGSA-N 413.430 3.291 0 40 HGAB O=C(COC(=O)CCN1C(=O)c2ccccc2C1=O)Nc1ccc(Cl)c(Cl)c1 1973232 PWHFRAYBMJYCGT-UHFFFAOYSA-N 421.236 3.161 0 40 HGAB CCn1cc(/C=C/C(=O)Nc2ccn(Cc3c(F)c(F)c(F)c(F)c3F)n2)cn1 2739388 SEAXSJMHQPCMPS-ONEGZZNKSA-N 411.334 3.495 0 40 HGAB O=C(O)c1cccc(S(=O)(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)c1 3300407 RDLYQXNTFSSAEN-UHFFFAOYSA-N 412.471 3.171 0 40 HGAB CCOC(=O)C1CCN(C(=O)CSc2ncnc3sc4c(c23)CCC4)CC1 3313441 IMZYZDCLORHPLD-UHFFFAOYSA-N 405.545 3.074 0 40 HGAB COc1ccccc1N1CCN(C(=O)COc2ccc(F)cc2Br)CC1 3326348 IZAUUECZZUSADS-UHFFFAOYSA-N 423.282 3.324 0 40 HGAB CCOC(=O)c1ccc(NC(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)cc1 3467688 DGVBBFIFGUKWQH-UHFFFAOYSA-N 402.756 3.336 0 40 HGAB C[C@H](CC(=O)OCC(=O)N(C)CC(=O)Nc1ccccc1Cl)c1ccccc1 4516382 GGCFEDWTVJEFMC-OAHLLOKOSA-N 402.878 3.474 0 40 HGAB C[C@H]1C(=O)N(c2ccc(Br)cc2)C(=O)[C@H]2C(=O)Oc3ccccc3[C@H]21 4653492 MWCBFVAZHWOBHI-GTTSAUCSSA-N 400.228 3.277 0 40 HGAB CCCCN(C)C(=O)[C@H](C(=O)c1ccc(Br)cc1)n1ccccc1=O 4689244 WBUXKSJSPMQADO-KRWDZBQOSA-N 405.292 3.293 0 40 HGAB Cc1cccc(NC(=O)CN2C(=O)C(C)(C)Oc3ccc(C(=O)NC(C)C)cc32)c1 4965810 FWHALAYHNXCULV-UHFFFAOYSA-N 409.486 3.276 0 40 HGAB Cc1ccccc1-n1c(S[C@H](C)C(=O)NC(N)=O)nc2cc(Cl)ccc2c1=O 5212512 ZMDVVAGKMGGXQZ-LLVKDONJSA-N 416.890 3.023 0 40 HGAB CC1(C)OC[C@@H]([C@@H]2O[C@H]3OC(C)(C)O[C@@H]3C2=C(Br)Br)O1 5741904 YKIWHTZFXBWIDR-FGGBMERFSA-N 414.090 3.016 0 40 HGAB COc1cccc(CC(=O)NCCN2C(=O)S/C(=C\c3ccccc3F)C2=O)c1 6551280 JKOJPTUOYUVMOS-AQTBWJFISA-N 414.458 3.230 0 40 HGAB Cc1occc1-c1nnc(SCC(=O)Nc2ccc3c(c2)OCCCO3)n1C 6582251 VLAHPNCOQPFZAO-UHFFFAOYSA-N 400.460 3.276 0 40 HGAB Cc1nn(C(=O)C2CCCCC2)c(C)c1S(=O)(=O)N1CCc2ccccc2C1 8768882 QAMZJPWDHNIEFV-UHFFFAOYSA-N 401.532 3.467 0 40 HGAB CCOC(=O)N1CCC(NC(=O)[C@H](NC(=O)[C@@H]2CCCC[C@@H]2C)[C@H](C)CC)CC1 9195132 QZYPVAKZQWHBPA-UKBAYJJMSA-N 409.571 3.081 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)CC2)cc1 9579314 CSJBUNARHZZTMZ-JXXFODFXSA-N 408.564 3.037 0 40 HGAB C[C@H](C(=O)N1CCc2ccccc21)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 9883888 VFWHSFBQDNSLRV-MRXNPFEDSA-N 421.497 3.044 0 40 HGAB O=C(Nc1nc2c(s1)CCCC2)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 10337385 BJWSFMUGAUURIP-UHFFFAOYSA-N 423.535 3.200 0 40 HGAB O=C(Nc1ccc(CNS(=O)(=O)c2ccccc2Br)cc1)C1CC1 10670491 ASFUHKGVSXOAFA-UHFFFAOYSA-N 409.305 3.276 0 40 HGAB CCN(CCc1ccncc1)C(=O)c1ccc(N2CCCCS2(=O)=O)cc1Cl 12194690 IFDNQJBWHYHBEK-UHFFFAOYSA-N 421.950 3.370 0 40 HGAB O=C(CSc1nncn1-c1ccccc1)N1CCN(C/C=C/c2ccccc2)CC1 12557907 KOCWVINBEKMZPB-JXMROGBWSA-N 419.554 3.217 0 40 HGAB Cc1c(C(=O)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)sc2ccccc12 12618428 GNHGPWUOWQXRHD-UHFFFAOYSA-N 424.551 3.237 0 40 HGAB CCCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)c1 12627988 UIZWIGAZDBVOQZ-LJQANCHMSA-N 412.515 3.229 0 40 HGAB Cn1ccnc1[C@@H](NC(=O)CCn1c(=O)oc2cc(Cl)ccc21)c1ccccc1 12629680 OIRRLGMKYJDZAS-IBGZPJMESA-N 410.861 3.277 0 40 HGAB O=C(Cc1csc(-c2ccsc2)n1)Nc1cccc(S(=O)(=O)NC2CC2)c1 12693992 LPAFRILJVZYMRP-UHFFFAOYSA-N 419.553 3.494 0 40 HGAB Cc1nc(C)c(CCC(=O)Nc2ncc(Cc3cc(F)cc(F)c3)s2)c(=O)[nH]1 12750051 KGWNWKNPXBSSLD-UHFFFAOYSA-N 404.442 3.284 0 40 HGAB COc1cc(/C=C/C(=O)Nc2ccc(-c3nnnn3C3CC3)cc2)cc(OC)c1OC 12770803 IRFVVNWHEMIXMJ-NYYWCZLTSA-N 421.457 3.353 0 40 HGAB O=C(Cc1ccsc1)N1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1 12781823 IFQKPOGQHNDCTA-UHFFFAOYSA-N 402.907 3.338 0 40 HGAB C[C@@H](Sc1nc2ccccc2c(=O)n1CCCO)C(=O)NCCC1=CCCCC1 12781990 BFMGXHDGBUTGIO-MRXNPFEDSA-N 415.559 3.266 0 40 HGAB CCNS(=O)(=O)c1ccc(C)c(C(=O)NCCCO[C@@H](C)c2ccccc2)c1 12910394 DYIZNDZLTRMTMO-KRWDZBQOSA-N 404.532 3.191 0 40 HGAB C[C@@H]1CCc2nc(NC(=O)CCc3ccc(S(=O)(=O)NC4CC4)cc3)sc2C1 12951905 JRUPGBHIELGYRB-CYBMUJFWSA-N 419.572 3.280 0 40 HGAB COC(=O)Cc1ccc(OCC(=O)Nc2cc3c(cc2Cl)OCCCO3)cc1 12980746 UPTKJEQKOYXAIA-UHFFFAOYSA-N 405.834 3.234 0 40 HGAB COC(=O)c1cc(NCC(=O)Nc2cccc(C(=O)NC3CC3)c2)ccc1Cl 13005727 DUJWVYVQFQXVEU-UHFFFAOYSA-N 401.850 3.069 0 40 HGAB CC[C@@H](C)[C@H](NC(=O)N1CCn2c1nc1ccccc12)C(=O)NCCc1ccccc1 13591968 AKZNWTFGPWHXOO-UTKZUKDTSA-N 419.529 3.340 0 40 HGAB O=S(=O)(Cc1ccc(Br)cc1)NCCCN1CCc2ccccc21 13673192 KLYJGYIXWOKKCJ-UHFFFAOYSA-N 409.349 3.321 0 40 HGAB CCC[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)N1CCN(c2ccccc2)CC1 14205384 PCVSLWZHKVNKHG-OAQYLSRUSA-N 412.509 3.142 0 40 HGAB Cc1ccc2nc(COC(=O)c3nn(-c4ccccc4)c4c3CCC4)cc(=O)n2c1 14240555 KHAIAQJJAIKXQV-UHFFFAOYSA-N 400.438 3.034 0 40 HGAB COc1ccc(-c2nnc3n2[C@@H]2CCCC[C@H]2N(C(=O)c2ccncc2)C3)cc1OC 19561707 KKNLUGNMMUPEAH-QZTJIDSGSA-N 419.485 3.497 0 40 HGAB Cc1cc(C)c(NC(=O)CN2CCN(c3nnc(C(F)(F)F)s3)CC2)c(C)c1 19566853 MSXYAEILAGAAIA-UHFFFAOYSA-N 413.469 3.243 0 40 HGAB COc1cccc([C@H](CNC(=O)c2cn(C)c(=O)c3ccccc23)N2CCCC2)c1 19663830 WQLAYZHKYSFMJM-QFIPXVFZSA-N 405.498 3.114 0 40 HGAB CC(=O)N1C[C@H](c2ccc(CN(C)C)cc2)[C@@H](C(=O)N(C)CCCc2ccccc2)C1 19699204 IRKMYMBBOIOMQN-RPBOFIJWSA-N 421.585 3.401 0 40 HGAB COc1ccc(N2C[C@@H](NC(=O)c3cc4cccc(OC)c4nc3C)CC2=O)cc1 19714392 NUHDBQDYNHXSJJ-INIZCTEOSA-N 405.454 3.096 0 40 HGAB CCOc1ccc([C@H](C)NC(=O)[C@@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)cc1 20108819 DNRYZVSUZCLWFA-LSDHHAIUSA-N 408.495 3.256 0 40 HGAB COc1ccccc1CN(C)C(=O)[C@@H](C)N(c1cccc(Cl)c1)S(C)(=O)=O 20493275 FNNTWVGWOACYMP-CQSZACIVSA-N 410.923 3.162 0 40 HGAB O=C(NCc1ccccc1Cl)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1 24609725 WOMBJADPLIKPGL-UHFFFAOYSA-N 424.925 3.337 0 40 HGAB COc1cc(F)ccc1NC(=O)CCNS(=O)(=O)c1ccc2c(c1)CCCC2 25311749 FUCRUKJAXYJLMP-UHFFFAOYSA-N 406.479 3.020 0 40 HGAB Cc1cccc(NC(=O)c2cc3ccccc3o2)c1C(=O)N1CCC(C(N)=O)CC1 27290825 QEEDXGLQUPBZIB-UHFFFAOYSA-N 405.454 3.331 0 40 HGAB CCOc1ccc(C(=O)NC[C@H](c2ccc(Cl)cc2)N2CCN(C)CC2)cc1 27662226 XLWMRHZNELERJC-OAQYLSRUSA-N 401.938 3.457 0 40 HGAB O=C(Cn1c(C(F)(F)F)nc2ccccc21)NC(=O)Nc1ccc2c(c1)OCCO2 28192506 KCFVNDSVFXOCIB-UHFFFAOYSA-N 420.347 3.175 0 40 HGAB O=C(NCCCc1ccc(F)cc1)c1ccc(CS(=O)(=O)N2CCCC2)cc1 30862426 ZOUZQCZYQAHJFZ-UHFFFAOYSA-N 404.507 3.114 0 40 HGAB CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)N(C)Cc2ccc(Cl)s2)C1=O 32502480 JWGCIMCQKMGMQY-LJQANCHMSA-N 405.907 3.217 0 40 HGAB Cc1ccc(N2C(SCCOc3ccccc3)=N[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 32640652 VRBIWHJVJRHGOH-MOPGFXCFSA-N 402.541 3.149 0 40 HGAB CCn1c(CN2CCCCCC2=O)nnc1SCc1nc(N)c2ccccc2n1 32765452 VBBWLRAYUDVCJT-UHFFFAOYSA-N 411.535 3.018 0 40 HGAB CCOc1ccc(-c2cc3c(=O)n(Cc4nc(-c5ccccc5)no4)ncn3n2)cc1 35527747 BNVZOTNYHLZJCK-UHFFFAOYSA-N 414.425 3.055 0 40 HGAB Cc1ccc(C)c(Oc2ccc(CNC(=O)CNC(=O)Cc3ccccc3)cn2)c1 36390813 KLXKBXOYILRPTK-UHFFFAOYSA-N 403.482 3.466 0 40 HGAB COc1cc(NC(=O)Nc2c(C)nn(C(C)C)c2C)c(C(=O)N(C)C)cc1OC 40151137 GZKSXMVONJJAHI-UHFFFAOYSA-N 403.483 3.444 0 40 HGAB Cn1c(CN2CCN(C(=O)c3cc(-c4ccccc4)on3)CC2)nc2ccccc21 44213637 XKEYRYYMSYJPHN-UHFFFAOYSA-N 401.470 3.186 0 40 HGAB C[C@@H](Sc1nnc2c(Cl)cc(C(F)(F)F)cn12)C(=O)NC[C@H]1CCCO1 49843320 KUFIFZBSSOZXIA-PSASIEDQSA-N 408.833 3.177 0 40 HGAB CCCc1nnc2c(=O)n(CC(=O)Nc3ccccc3OCC)c3ccccc3n12 57522783 UMMZQFVYPYVGTC-UHFFFAOYSA-N 405.458 3.034 0 40 HGAB COC(=O)C1=C(CN2CC=C(c3ccccc3)CC2)NC(=O)N[C@@H]1c1ccc(F)cc1 67204819 OFWBXOYDNXODDX-JOCHJYFZSA-N 421.472 3.396 0 40 HGAB CCc1ccc(Nc2n[nH]nc2C(=O)N2CCN(c3ccc(C(C)=O)cc3)CC2)cc1 67284231 MZDRENKHAXQRCF-UHFFFAOYSA-N 418.501 3.276 0 40 HGAB COc1cc(/N=c2\oc3cc(O)ccc3cc2C(=O)NC[C@H]2CCCO2)cc(OC)c1 67298523 YLTYGFLOIRAMIR-NPPSCJOGSA-N 424.453 3.297 0 40 HGAB CCc1ccc(O)c(NS(=O)(=O)c2c(C)cc(C)c(NS(C)(=O)=O)c2C)c1 72307285 WNDGUCAZDGESOM-UHFFFAOYSA-N 412.533 3.052 0 40 HGAB COc1cc2nc(CN3CCC[C@@H]3c3nc4ccccc4n3C)[nH]c(=O)c2cc1OC 72314363 DXJYLMPLHNRMLD-GOSISDBHSA-N 419.485 3.164 0 40 HGAB CN(C)c1ncc(-c2ccncc2)c([C@H]2CCCN2C(=O)CCc2ccncc2)n1 72341475 CWAWLMACTCHNPO-HXUWFJFHSA-N 402.502 3.296 0 40 HGAB Cc1cccc(Cc2cc(C)nc([C@H]3CCCN(C(=O)CN4CCOCC4)C3)c2)c1 72353953 XLPQENHOYUZDRB-QHCPKHFHSA-N 407.558 3.327 0 40 HGAB Cc1cc(Cc2cccc(F)c2)cc([C@H]2CCCN(C(=O)c3ccc(=O)n(C)n3)C2)n1 72354131 JRQGGELODWNNIM-IBGZPJMESA-N 420.488 3.233 0 40 HGAB N[C@@H](C(=O)NCC1CCC(c2ccnc(Nc3ncccn3)n2)CC1)c1ccccc1 72380013 NMJOVTIISUQYDJ-LBXVMSDZSA-N 417.517 3.100 0 40 HGAB Cc1ccc(N(C(=O)Cc2ccc(-n3cccn3)cc2)[C@@H]2C=CS(=O)(=O)C2)cc1 79052916 GTKYSVVGMCFASR-OAQYLSRUSA-N 407.495 3.067 0 40 HGAB COc1ccc(-c2coc3c4c(cc(O)c3c2=O)OC(=O)C[C@@H]4c2ccnn2C)cc1 85879921 MZACNMXOLUFJDC-CQSZACIVSA-N 418.405 3.349 0 40 HGAB biogenic C[C@@H]1CN(Cc2csc(NC(=O)c3cccc(Br)n3)n2)C[C@@H](C)O1 89936716 TZPJOCNRPWAGMD-GHMZBOCLSA-N 411.325 3.162 0 40 HGAB C[C@@H](CCC(=O)O)[C@@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3C[C@H](O)[C@]12C 95099755 BHQCQFFYRZLCQQ-VEOGCQOSSA-N 408.579 3.449 0 40 HGAB CN(C)CCNC(=O)C[C@@H]1CC2(CCN(CC3CCOCC3)CC2)c2ccccc21 96052907 JOMDPGPNNKRXGK-OAQYLSRUSA-N 413.606 3.002 0 40 HGAB COc1cc2c(cc1OC)CN(C(=O)c1ccc(-c3nnn(C(C)C)n3)cc1)CC2 96232630 LAQUKSMQQFUGHW-UHFFFAOYSA-N 407.474 3.137 0 40 HGAB COc1cccc(C(=O)NCC(=O)N[C@@H](C)c2noc(-c3ccc(Cl)cc3)n2)c1 97083228 BRGSREMQGUMNDW-LBPRGKRZSA-N 414.849 3.006 0 40 HGAB CC(C)(C)OC(=O)CNC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl 97572745 PRSJCGRFYGEHMH-CQSZACIVSA-N 401.290 3.056 0 40 HGAB CCOc1ccccc1N(CCCC(=O)NCc1cccc(C)c1)S(C)(=O)=O 113962114 AEAFAFJDZPHWTR-UHFFFAOYSA-N 404.532 3.256 0 40 HGAB C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](Cc2nc(-c3ccsc3)no2)C1 220919562 QGDXIPXOHJNHPM-KGLIPLIRSA-N 420.535 3.492 0 40 HGAB CCN(c1ccc(C(=O)n2cc(C(=O)OC)c3ccccc32)cc1)S(=O)(=O)CC 222639092 KFFMQFHFBRNQSQ-UHFFFAOYSA-N 414.483 3.292 0 40 HGAB Cc1ccc(C(=O)NCCOc2ccc3ccccc3c2)cc1N(C)S(C)(=O)=O 223637158 STLSLOCCDODRMQ-UHFFFAOYSA-N 412.511 3.353 0 40 HGAB C[C@@H](CC(C)(C)c1ccccc1)NC(=O)[C@@H](c1ccccc1)N(C)S(C)(=O)=O 223764901 VRBSGYAUMSWVLW-FXAWDEMLSA-N 402.560 3.492 0 40 HGAB COc1ccc(S(=O)(=O)N(C)Cc2cccc(F)c2)cc1C(=O)N1CCCCC1 223873266 RXCWUDFIYQBZSX-UHFFFAOYSA-N 420.506 3.281 0 40 HGAB CNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)Cc1cccc(C)c1 225496061 JWHUITOLYNLPFI-HNNXBMFYSA-N 403.320 3.463 0 40 HGAB C[C@H](Oc1nn(-c2ccccc2)cc1Br)C(=O)NCc1ccccn1 227159404 TYFVHNZGRXYPJF-ZDUSSCGKSA-N 401.264 3.114 0 40 HGAB CCc1nnsc1C(=O)N1CC[C@@H](c2c(C(=O)NC)sc3ccccc23)C1 257235605 GYOWQFMZJFSEPI-LLVKDONJSA-N 400.529 3.305 0 40 HGAB Cc1ccc(C)c(S(=O)(=O)N2CCC[C@H](C(=O)N(C)Cc3ccccc3)C2)c1 260830717 QSDUWXUGANRJSH-FQEVSTJZSA-N 400.544 3.363 0 40 HGAB Cc1ccc(NC(=O)CN2C(=O)S/C(=C3\C(=O)Nc4ccccc43)C2=O)c(C)c1 409180976 XACXARADHOZPSU-ZCXUNETKSA-N 407.451 3.301 0 40 HGAB Cc1ccc(CNC(=O)CN2C(=O)S/C(=C\c3ccc4c(c3)OCO4)C2=O)cc1 409208688 DWBJIUMCUGWIGY-NVMNQCDNSA-N 410.451 3.076 0 40 HGAB COc1cccc(C2(CNC(=O)N3CCNC(=O)[C@@H]3c3ccccc3)CCCC2)c1 518152030 UHPNGBSDJXIKEF-NRFANRHFSA-N 407.514 3.390 0 40 HGAB Cc1nc2cccc(C(=O)N3CCN(C(=O)c4cccc5nc(C)[nH]c45)[C@@H](C)C3)c2[nH]1 573147557 CFSAMBMOFCBOLD-ZDUSSCGKSA-N 416.485 3.043 0 40 HGAB CCn1cc(-c2noc(CNS(=O)(=O)c3cc(C)c(Cl)cc3Cl)n2)cn1 585401357 QCXCKZJWCPVVIQ-UHFFFAOYSA-N 416.290 3.047 0 40 HGAB Cc1ccc(CC2CCN(C(=O)c3ccc([C@@]4(C)NC(=O)NC4=O)cc3)CC2)cc1C 646534661 XQBILKWLCKQQCR-RUZDIDTESA-N 419.525 3.453 0 40 HGAB COc1ccc(S(=O)(=O)N2CC(n3c(C4CC4)nc4ccccc43)C2)cc1F 1775971143 GZSDSNLWIKBHEO-UHFFFAOYSA-N 401.463 3.307 0 40 HGAB Cc1ccccc1C(=O)NC(=S)Nc1ccc(N2CCN(C(=O)C(C)C)CC2)cc1 1314046 QLQGLVHXRBNQIM-UHFFFAOYSA-N 424.570 3.426 0 40 HGAB Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(OC(F)F)cc3)n2N)cc1 3345228 MDNFEIXUOFORNA-UHFFFAOYSA-N 405.430 3.300 0 40 HGAB C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)N1CC=C(c3ccccc3)CC1)C2=O 3406649 YBSUAFHBGBTWLX-OSPHWJPCSA-N 409.530 3.439 0 40 HGAB CCc1ccc([C@H]2[C@@H](C(=O)OC(C)C)C(=O)C[C@@](C)(O)[C@@H]2C(=O)OC(C)C)cc1 4112362 VBEOCZTYICTUGT-IHFIDZABSA-N 404.503 3.192 0 40 HGAB Cc1ccc2[nH]c(=O)c(CN(Cc3ccco3)C(=S)NCCCN(C)C)cc2c1 4131214 MKCWCOOYXAZLSB-UHFFFAOYSA-N 412.559 3.258 0 40 HGAB COc1ccc(NC(=O)N(CCN(C)C)Cc2cc3cc(OC)ccc3[nH]c2=O)cc1 4231281 HFKZHPBMIQIRLH-UHFFFAOYSA-N 424.501 3.141 0 40 HGAB CCNc1nc(NCC)n2nc(S[C@H](C)C(=O)c3ccc(Cl)cc3)nc2n1 4528511 BRKCKSRSMPWBQB-SNVBAGLBSA-N 405.915 3.400 0 40 HGAB CC(=O)Nc1ccc(S(=O)(=O)NC[C@H](C)OC23CC4CC(CC(C4)C2)C3)cc1 4687157 NKLWLFZBFVSTSF-OSONQDNFSA-N 406.548 3.297 0 40 HGAB C[C@@H](OC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O)C(=O)Nc1ccc2ccccc2c1 5936430 VKCBJPUFEXBECR-HUUCEWRRSA-N 416.433 3.395 0 40 HGAB O=C(CCCSc1ccccc1)N1CCN(S(=O)(=O)c2cccs2)CC1 5938546 KHLNJEOBNVYVSW-UHFFFAOYSA-N 410.586 3.154 0 40 HGAB Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CCCCC3)c(C)c2)cc1 6235010 HXKBZNGJUONIED-UHFFFAOYSA-N 402.516 3.496 0 40 HGAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COc1ccc(C(C)C)c(C)c1 6237489 WWNKJSPWNCFDKX-UHFFFAOYSA-N 420.531 3.395 0 40 HGAB CCOc1ccc(N(CC(=O)NCC(C)C)S(=O)(=O)c2ccc(F)cc2)cc1 6351244 BXVKPSJFHLZYBV-UHFFFAOYSA-N 408.495 3.192 0 40 HGAB COc1ccc([C@@H]2Nn3c(nnc3-c3ccccc3)S[C@H]2C(=O)N2CCCC2)cc1 6721059 KAWKQZWZZDWTHL-RBUKOAKNSA-N 421.526 3.335 0 40 HGAB CCc1ccccc1OCC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1OC 6789246 JUGGJSYNVIFMAZ-UHFFFAOYSA-N 420.531 3.306 0 40 HGAB Cc1ccc2nc(SCC(=O)N(C3CCCCC3)[C@H]3CCS(=O)(=O)C3)[nH]c2c1 6908864 ASMHJVQATKJBPE-INIZCTEOSA-N 421.588 3.312 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(C(=O)N(C)Cc2cccc(OC)c2OC)cc1 6941792 AMHIHSWAJQUSBA-UHFFFAOYSA-N 420.531 3.007 0 40 HGAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)Sc1nnc(C[C@@H]2CCS(=O)(=O)C2)o1 7046107 STQZKQPRMZKJNW-STQMWFEESA-N 419.528 3.200 0 40 HGAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)NCc1ccc(N2CCCC2=O)cc1 7491735 HQGWTJDUXDITAI-QFIPXVFZSA-N 403.482 3.394 0 40 HGAB CC1(C)C(=O)Nc2ccccc2N1C(=O)COC(=O)c1nc(Cl)ccc1Cl 7699054 YWVQYMMDBMEHHM-UHFFFAOYSA-N 408.241 3.309 0 40 HGAB CN(C)[C@H](CNC(=O)[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1)c1ccccc1 8343744 QCTZGXAMRXUDJU-QFBILLFUSA-N 419.447 3.477 0 40 HGAB C[C@]12NC(=S)N[C@H](c3cc(Br)ccc3O1)[C@@H]2C(=O)Nc1ccccc1 8456960 TWSWFATZOVQBPS-RKVPGOIHSA-N 418.316 3.331 0 40 HGAB Cc1nnc(NC(=O)CSc2nnc(NC(=O)c3ccc(C)c(C)c3)s2)s1 9367057 ADLSYWBLSVBSND-UHFFFAOYSA-N 420.545 3.298 0 40 HGAB O=C(CSC1=NS(=O)(=O)c2cc(Cl)ccc2N1)N1CCc2ccccc21 9761951 GOMYMHXVNVEXLP-UHFFFAOYSA-N 407.904 3.133 0 40 HGAB CC(C)(C)c1ccc(N(CC(=O)NCCCN2CCCCCC2)S(C)(=O)=O)cc1 10111284 BVRJQDDYXBFZMW-UHFFFAOYSA-N 423.623 3.132 0 40 HGAB O=C(COC(=O)c1c(F)cccc1F)NC1(c2ccc3c(c2)OCCO3)CCCC1 10390356 PJXZTIBJKWAHDW-UHFFFAOYSA-N 417.408 3.479 0 40 HGAB CC(=O)Nc1ccc(C(C)=O)cc1OCC(=O)Nc1cc2c(cc1Cl)OCO2 11348740 JVWARBIRUFGIKS-UHFFFAOYSA-N 404.806 3.247 0 40 HGAB COCCNc1nc(-c2ccncc2)nc2c1CCN(Cc1ccc(OC)cc1)C2 12123265 LCPWRGVRRLILFT-UHFFFAOYSA-N 405.502 3.164 0 40 HGAB CCCn1c(C)c(C)c(S(=O)(=O)c2ccc(OC)cc2)c1NC(=O)[C@@H]1CCCO1 12389407 ZJNCXSMVZOAJPY-SFHVURJKSA-N 420.531 3.474 0 40 HGAB O=C(CN1C[C@@H](C(=O)N2CCCCC2)Oc2ccccc21)Nc1cc(F)cc(F)c1 12587218 ZMMLHUGOYCEHFJ-FQEVSTJZSA-N 415.440 3.183 0 40 HGAB Cc1ccccc1C(=O)N1CCC(C(=O)O[C@@H](C)C(=O)NC2CCCCC2)CC1 12811041 KWRXCYYPKBTRSH-KRWDZBQOSA-N 400.519 3.228 0 40 HGAB COC(=O)C1CCN(C(=O)COc2ccc3ccccc3c2Br)CC1 12853294 IOQDDHRHWPMMBV-UHFFFAOYSA-N 406.276 3.393 0 40 HGAB COc1ccc(/C=c2\sc3nc(-c4ccccc4Br)nn3c2=O)cc1 13514348 JPHFQMAHCVPRRP-GDNBJRDFSA-N 414.284 3.137 0 40 HGAB Cc1ccc(N(CCCC(=O)Nc2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1C 13679609 PUGLXOTVAHBZTG-UHFFFAOYSA-N 418.515 3.260 0 40 HGAB CC[C@@H](C(=O)NCc1ccc(OC)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O 13714366 DMJFFQNJUYWELV-SFHVURJKSA-N 410.923 3.210 0 40 HGAB CC[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)N(c1ccc(F)cc1)S(C)(=O)=O 13715842 ZCQYJLGGZPLATD-KXDMBUCYSA-N 408.539 3.455 0 40 HGAB CN(Cc1cccc(Cl)c1Cl)CN1C(=O)C(=O)N(Cc2cccs2)C1=O 14187233 YPWBLPTYNZBBAX-UHFFFAOYSA-N 412.298 3.435 0 40 HGAB COc1ccc(NC(=O)CSc2nnc(COc3cccc(OC)c3)o2)cc1 17227329 WFMWVYNLFWIFAP-UHFFFAOYSA-N 401.444 3.397 0 40 HGAB CN(C)C[C@@H]1CN(Cc2cccc3cccnc23)C[C@H]1c1ccnc(N2CCCC2)n1 19583334 FGRWGOCCHCXLRZ-FGZHOGPDSA-N 416.573 3.402 0 40 HGAB COc1cccc(-c2cnc(N(C)C)nc2[C@@H]2CCCN2C(=O)c2snnc2C)c1 19689459 ROIXGAOITYJOIU-KRWDZBQOSA-N 424.530 3.355 0 40 HGAB Nc1nc2c(cc1C(=O)NCc1ccccn1)CN(Cc1ccnc3ccccc13)CC2 19701037 IOKVYJBAEVZWNU-UHFFFAOYSA-N 424.508 3.095 0 40 HGAB CNc1nc([C@@H]2CCCN(C)C2)nc2c1CCN(C(=O)CCCc1ccccc1)C2 19707910 AXIDJEVTPLQJAN-LJQANCHMSA-N 407.562 3.235 0 40 HGAB COc1cc(C(C)=O)ccc1OC[C@H](O)CN1CCN(c2c(C)cccc2C)CC1 19999713 QWISVBXTGHVGAZ-OAQYLSRUSA-N 412.530 3.077 0 40 HGAB COc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2ccc(C)c(C)c2)c1 22229741 FIRXMLNECAHKKC-LJQANCHMSA-N 402.516 3.412 0 40 HGAB Cc1ccc([C@@H](C)NC(=O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1C 22773026 COSAHPCNKIWEGY-LJQANCHMSA-N 409.530 3.027 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)N(C)Cc3ccc(F)cc3F)CC2)cc1 22895388 PTQMYWXQJMRDKW-UHFFFAOYSA-N 422.497 3.333 0 40 HGAB CN1C(=O)c2ccc(NC(=O)COc3ccc(Oc4ccccn4)cc3)cc2C1=O 22989851 QZJSBPVSKIGBOF-UHFFFAOYSA-N 403.394 3.117 0 40 HGAB COc1ccc(S(=O)(=O)Cc2nc(-c3ccc(Br)cc3)no2)cc1 23126284 NSIOZPUFELITDS-UHFFFAOYSA-N 409.261 3.482 0 40 HGAB CN(C)[C@@H](CNC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12)c1ccsc1 25329805 GYTGHWJNCVUPAX-FQEVSTJZSA-N 418.522 3.480 0 40 HGAB COc1ccc(Nc2ccc(NC(=S)NCCCN3CCOCC3)cc2)cc1 25461136 YXRHDUCHWBBKPO-UHFFFAOYSA-N 400.548 3.448 0 40 HGAB CCc1nc(SCC(=O)NCCCC(=O)OC)nc(N)c1-c1ccc(Cl)cc1 25589111 LCIHPIZGWIPQFE-UHFFFAOYSA-N 422.938 3.103 0 40 HGAB COc1cccc(C(=O)N2CCN(C(=O)COc3cccc4ccccc34)CC2)c1 29110916 VYLJCCVOSJXOFS-UHFFFAOYSA-N 404.466 3.212 0 40 HGAB O=C(Nc1ccc(-n2cccn2)nc1)C1CCN(C(=O)/C=C/c2ccccc2)CC1 29197733 VSACFJKQCCAQLX-JXMROGBWSA-N 401.470 3.158 0 40 HGAB O=C(NC[C@H](c1ccccc1Cl)N1CCOCC1)c1cc2ccccc2oc1=O 29805029 XAHDKTRWRBBZFP-LJQANCHMSA-N 412.873 3.250 0 40 HGAB CCOC(=O)c1ccc(NC(=O)[C@H](C)N(c2ccccc2)S(C)(=O)=O)c(Cl)c1 30753960 RDMHJCAECFICMY-ZDUSSCGKSA-N 424.906 3.310 0 40 HGAB O=S1(=O)C[C@@H]2N=C(SCCOc3ccccc3)N(c3ccc(F)cc3F)[C@H]2C1 32640642 ZAEHPXWIIWFJTB-WMZOPIPTSA-N 424.494 3.119 0 40 HGAB C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1)c1ccccc1 34949553 JZVMZHOYRJCOEU-XMSQKQJNSA-N 408.523 3.454 0 40 HGAB CN(C(=O)CN1C(=O)c2ccccc2S1(=O)=O)C(c1ccccc1)c1ccccc1 35434509 KWDIRQJAOWGFFH-UHFFFAOYSA-N 420.490 3.079 0 40 HGAB COC(=O)[C@@H](CC(C)C)NC(=O)N1CCc2[nH]cnc2[C@H]1c1ccc(Cl)cc1 36601699 KRDDYXMIHOBXHX-SJLPKXTDSA-N 404.898 3.308 0 40 HGAB C[C@@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)Nc1cccc(-c3ccn[nH]3)c1)C2=O 40087259 VIOJDFBVTKKDFP-JLCFBVMHSA-N 409.490 3.152 0 40 HGAB COc1ccc(O[C@H]2C[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C2)c(Br)c1 42783064 LGYXPIFCCHJFHZ-AAEUAGOBSA-N 416.268 3.299 0 40 HGAB C[C@@]1(c2cccc(NC(=O)c3ccc4[nH]c5c(c4c3)CCCC5)c2)NC(=O)NC1=O 47169287 URNMFVAIHHVHIN-QHCPKHFHSA-N 402.454 3.354 0 40 HGAB Cc1cc(NC(=O)c2nc(S(C)(=O)=O)n3ccccc23)ccc1Br 48312392 WCOSXHPYAYWMPU-UHFFFAOYSA-N 408.277 3.061 0 40 HGAB CCS(=O)(=O)N1CCC(NC(=O)NCc2cccc(Oc3ccccc3)c2)CC1 48517727 PTOMQFDEDJSOKC-UHFFFAOYSA-N 417.531 3.092 0 40 HGAB COc1cc(CNC[C@H](CN(C)C)[C@@H](O)c2ccccc2)cc(OC)c1OC(F)F 58050996 NFTJQPXUGMNBKM-XLIONFOSSA-N 424.488 3.306 0 40 HGAB O=C(NC[C@H]1CCN(c2ccc(F)c(F)c2)C1)C1CCN(CC(F)(F)F)CC1 58406829 BVBCPHFHNLGMDN-CYBMUJFWSA-N 405.411 3.182 0 40 HGAB COc1ccc(NC(=O)Cn2cc(-c3ccccc3)c(N3CCOCC3)n2)c(OC)c1 62006857 HAWKWDBLZJFAHB-UHFFFAOYSA-N 422.485 3.043 0 40 HGAB O=C(Nc1ccc(-n2cccn2)nc1)N(CCO)Cc1ccccc1Br 64530251 QEPNGLKIENTKKE-UHFFFAOYSA-N 416.279 3.056 0 40 HGAB COC(=O)c1ccc(/N=c2\oc3cc(O)ccc3cc2C(=O)NC[C@@H]2CCCO2)cc1 67298572 OXJSPOHSQSDZPP-FGGSVNHKSA-N 422.437 3.066 0 40 HGAB Cc1noc(-c2ccnc(-n3cnc(C(=O)NCc4ccc(F)cc4Cl)c3)c2)n1 71768369 JPNIRCLYEPZPSQ-UHFFFAOYSA-N 412.812 3.348 0 40 HGAB COc1ccc(C(=O)C(=O)N(C)CC(=O)Nc2ccc(Br)cc2C)cc1 72269979 AEBXIJHEPLEGNV-UHFFFAOYSA-N 419.275 3.046 0 40 HGAB C[C@H](COC(=O)CCCOc1ccc2c(c1)CCC(=O)N2)NC(=O)OC(C)(C)C 72310769 KJFZVANGURSGIH-CQSZACIVSA-N 406.479 3.187 0 40 HGAB COc1cccc(CC(=O)N2CCC[C@H](c3cc(-c4cnc(N)nc4)cc(C)n3)C2)c1 72353634 DLYAKQXKVGFJAU-SFHVURJKSA-N 417.513 3.387 0 40 HGAB CC(C)S(=O)(=O)CCCNC1(c2ccc(Br)cc2)CCOCC1 84622133 QMJDCLHJYKTITE-UHFFFAOYSA-N 404.370 3.258 0 40 HGAB Cc1sc(Br)cc1S(=O)(=O)NCc1ccnc(OC(C)C)c1 89536636 HYAHXZLMDPJSDY-UHFFFAOYSA-N 405.339 3.480 0 40 HGAB CC(=O)N1CCC[C@@H]1C(=O)NC1(c2noc(CC3CCCC3)n2)CCCCCC1 89930497 SBMXJEJKYDMKSL-GOSISDBHSA-N 402.539 3.479 0 40 HGAB COc1cccc(NC(=O)[C@H](NC(=O)N2CCN(c3ccccc3)CC2)C(C)C)c1 95482681 HWSWOCRVGGOGQC-OAQYLSRUSA-N 410.518 3.190 0 40 HGAB COc1ccc(N(CC(=O)N[C@H]2C[C@@H]3CC[C@@H]2C3)S(=O)(=O)c2ccccc2)cc1 100061877 CRPLTPRJDHJNHY-LZJOCLMNSA-N 414.527 3.195 0 40 HGAB COC(=O)[C@H](C)Sc1nc2sc3c(c2c(=O)n1C[C@H]1CCCO1)CC[C@H](C)C3 102521010 HJAHSQHWWXTQHU-RWMBFGLXSA-N 422.572 3.415 0 40 HGAB CCCS(=O)(=O)Nc1cccc(C(=O)/N=c2/ccccn2Cc2ccccc2)c1 102931879 WKYSPKXXXKQWSH-LNVKXUELSA-N 409.511 3.429 0 40 HGAB COc1ccc(Cn2c(C)cc(O)c(I)c2=O)cc1Cl 148125601 GARFPGFTGHRCDD-UHFFFAOYSA-N 405.619 3.177 0 40 HGAB Cc1cc(C)c([C@@H](C)NC(=O)CN(c2ccccc2)S(=O)(=O)N(C)C)cc1C 223426505 DXCXISCSCBPCQR-GOSISDBHSA-N 403.548 3.102 0 40 HGAB Cc1cccc(N(CC(=O)NCc2cccc(C(F)(F)F)c2)S(C)(=O)=O)c1C 223636257 VMBCMTWNYHOOKJ-UHFFFAOYSA-N 414.449 3.405 0 40 HGAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)COc1ccc(OC)cc1 223843373 VWIHIDLPELNCPJ-MRXNPFEDSA-N 402.466 3.157 0 40 HGAB Cc1cccc(N(CCCC(=O)NCCOc2cc(C)ccc2C)S(C)(=O)=O)c1 224029842 ZQBFAYHRMWZBHQ-UHFFFAOYSA-N 418.559 3.353 0 40 HGAB COC(=O)CN(c1ccc(Br)cc1F)S(=O)(=O)c1ccc(C)cc1 224694034 JNSVTNDBCPQKAJ-UHFFFAOYSA-N 416.268 3.265 0 40 HGAB CCCCOC(=O)c1ccc(NC(=O)[C@@H](c2ccccc2)N(C)S(C)(=O)=O)cc1 225220241 QYDQLWSTSVOYFS-LJQANCHMSA-N 418.515 3.215 0 40 HGAB Cn1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1CCC(=O)Nc1ccccc1 225532411 YRLAOJWACBZBGW-NHCUHLMSSA-N 405.527 3.421 0 40 HGAB COc1ccc(N2C[C@H]3C[C@@]3(C(=O)Nc3ccc(OC(C)C)cc3)S2(=O)=O)cc1 260840434 VADQABAWXNXXJL-QVKFZJNVSA-N 416.499 3.030 0 40 HGAB Cc1ccc(N(CC(=O)N[C@H](C)c2ccc3c(c2)CCC3)S(C)(=O)=O)cc1C 260953210 ZGKUMVPEFFSQKG-QGZVFWFLSA-N 400.544 3.436 0 40 HGAB CCc1ccc(NC(=O)N2CC[C@@]3(COCC[C@H]3NC(=O)N3CCCC3)C2)cc1 306137295 QRZQNUAKJXZMDH-KNQAVFIVSA-N 400.523 3.067 0 40 HGAB Cc1ccc(S(=O)(=O)Nc2ncc(C(=O)Nc3ccc(Cl)cc3)cn2)cc1 408527076 AOBRNEVOZNSQSD-UHFFFAOYSA-N 402.863 3.492 0 40 HGAB COc1cccc(NC(=O)COc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)c1 408616523 ADECYCXWFRLMKS-UHFFFAOYSA-N 418.515 3.133 0 40 HGAB COc1cccc(C(=O)COC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3C)C2)c1 408653380 PREUCQIAKUQMPR-HNNXBMFYSA-N 401.846 3.436 0 40 HGAB CCNS(=O)(=O)c1cc(C(=O)N[C@@H](C)CCc2ccccc2)ccc1OCC 408700770 LOIWNOUTYKTBKY-INIZCTEOSA-N 404.532 3.135 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)NCc1ccccc1Cl 408701674 CITXTZCXZZQJHS-UHFFFAOYSA-N 408.907 3.063 0 40 HGAB CCCNC(=O)[C@H]1CC(=O)N(c2ccc(OCC(=O)Nc3ccccc3CC)cc2)C1 409138434 BRZNDYHHEQXAME-SFHVURJKSA-N 423.513 3.146 0 40 HGAB O=C(CN1C(=O)N/C(=C/c2cccn2-c2ccc(F)cc2)C1=O)Nc1ccccc1F 409214071 XQMWQSFDXADHNT-XDHOZWIPSA-N 422.391 3.287 0 40 HGAB CN1Cc2cc(NS(=O)(=O)c3ccc(OC(F)(F)F)cc3)ccc2NC1=O 547822312 QTSLKHMQARUDHV-UHFFFAOYSA-N 401.366 3.363 0 40 HGAB Cc1cc(C)nc(Nc2cc([C@@H]3CCN(C(=O)/C=C/c4cccnc4)C3)nc(C)n2)n1 585293481 YABJIHMQVVOSJO-OVKVCFKUSA-N 415.501 3.360 0 40 HGAB COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CCC[C@H]1c1ccsc1 603662284 KGYUCIYERCWPDN-UXHICEINSA-N 411.527 3.267 0 40 HGAB O=C(CC1(COc2ccccc2)CCN(C(=O)c2cc[nH]n2)CC1)N1CCCCC1 2037905421 CAJBESYMSPDHND-UHFFFAOYSA-N 410.518 3.114 0 40 HGAB Cc1cccc(OC(=O)C[C@H]2CS(=O)(=O)C[C@@H]2CC(=O)Oc2cccc(C)c2)c1 988893 YGVBGNLVITWKAE-ROUUACIJSA-N 416.495 3.255 0 40 HGAB CC(=O)Nc1ccc(NC(=O)CSc2nnnn2-c2ccc(Cl)cc2)cc1 1282767 YEGYIVHRVBQEDF-UHFFFAOYSA-N 402.867 3.005 0 40 HGAB Cc1c(OCC(=O)N[C@H](C(=O)O)c2ccccc2)ccc2c3c(c(=O)oc12)CCCC3 2137045 USXFKYQAUYLZOT-NRFANRHFSA-N 421.449 3.301 0 40 HGAB biogenic O=C(NC(=S)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1cccs1 2210151 VTCQHCGUMUMPHW-UHFFFAOYSA-N 424.554 3.132 0 40 HGAB O=C(CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O)Nc1ccc(Cl)cc1F 2643948 GKLLHMARVQWFQX-HXUWFJFHSA-N 401.825 3.201 0 40 HGAB O=C1COc2ccc(C(=O)COC(=O)c3ccccc3C(=O)c3ccccc3)cc2N1 3234241 OOXUWCYGMATEAJ-UHFFFAOYSA-N 415.401 3.288 0 40 HGAB CC(=O)Nc1ccc2c(CN3C(=O)N[C@](C)(c4ccc(C)cc4)C3=O)cc(=O)oc2c1 3357423 CZKVPCQWZXCTGM-HSZRJFAPSA-N 419.437 3.027 0 40 HGAB CCn1c(SCc2cc(=O)n3ccsc3n2)nc2sc(C)c(C)c2c1=O 3374028 QVBTVBXCBLAEDS-UHFFFAOYSA-N 404.542 3.456 0 40 HGAB CCOc1ccc(-n2c(SCC(=O)NCCOC)nnc2-c2ccccc2)cc1 3399980 PGJFJRNIRSHYBS-UHFFFAOYSA-N 412.515 3.188 0 40 HGAB Cc1ccc2c(COC(=O)c3ccc(S(=O)(=O)C(F)F)cc3)cc(=O)oc2c1 3448423 VWADNPDZKOTEII-UHFFFAOYSA-N 408.378 3.455 0 40 HGAB O=C(COC(=O)c1ccc(OCc2ccccc2)cc1)NC(=O)NCc1ccco1 3490331 UPGLCRXODGNRHY-UHFFFAOYSA-N 408.410 3.041 0 40 HGAB COc1cc(C(=O)N[C@H](C(=O)NCc2ccc(C)cc2)C(C)C)cc(OC)c1OC 3554373 YFBINBYNKCTDSB-FQEVSTJZSA-N 414.502 3.092 0 40 HGAB COc1ccc(-n2nnc3c(=O)n(Cc4ccc(Cl)c(Cl)c4)cnc32)cc1 4266890 NEXLBRYWDNLCFJ-UHFFFAOYSA-N 402.241 3.341 0 40 HGAB CCOc1ccc(NC(=O)Cn2cnc3c(cnn3-c3cccc(C)c3C)c2=O)cc1 4479201 VRVIOCBQAQYYTO-UHFFFAOYSA-N 417.469 3.236 0 40 HGAB COc1ccc(N2C[C@@H](C(=O)Nc3cc(OC)c(Cl)cc3OC)CC2=O)cc1 4731924 GQUXYENCRJSYTJ-LBPRGKRZSA-N 404.850 3.357 0 40 HGAB CCn1c(COc2ccccc2C)nnc1S[C@@H](C)C(=O)Nc1nnc(C)s1 4736436 UQQGBKKBRUJODQ-LBPRGKRZSA-N 418.548 3.465 0 40 HGAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cccc(C)c3)C2)cc1 4813789 JVXFTVGSGMQADQ-QGZVFWFLSA-N 402.516 3.433 0 40 HGAB CC[C@@H]1CCCCN1CC(=O)Nc1c(C(=O)OC)[nH]c2cc(OC)c(OC)cc12 4837578 PJHAJYOWYUVRSL-CYBMUJFWSA-N 403.479 3.175 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(N(C)C)c(NC(=O)Cc2ccccc2F)c1 4901604 KQUFQCCZMORVHR-UHFFFAOYSA-N 407.511 3.103 0 40 HGAB CC[C@H](OC(=O)C[C@H]1Sc2ccccc2NC1=O)C(=O)NCCc1ccccc1 4967091 ABUCKDJISNOVCX-PKOBYXMFSA-N 412.511 3.170 0 40 HGAB CCOC(=O)c1sc2ncn([C@H](C)C(=O)Nc3ccccc3OC)c(=O)c2c1C 5010092 KPFOGZPKGQRWEB-GFCCVEGCSA-N 415.471 3.151 0 40 HGAB CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)N1CCN(c2ccccc2)CC1 5292202 AMDOJLYYWXAJLB-FQEVSTJZSA-N 401.457 3.068 0 40 HGAB COc1ccc(/C=C2\SC(=O)N(CC(=O)N[C@H]3CCCC[C@H]3C)C2=O)cc1OC 5445649 WBNCKQLRAWTVIR-BQHKEAAHSA-N 418.515 3.435 0 40 HGAB Cc1ccc(O[C@@H](C)C(=O)N(Cc2ccccc2F)[C@@H]2CCS(=O)(=O)C2)cc1C 6811066 WXWRXNHWVLWEQU-PKOBYXMFSA-N 419.518 3.426 0 40 HGAB Cc1ccc(S(=O)(=O)c2nc(-c3ccccc3F)oc2N2CCN(C)CC2)cc1 7002491 RXKFZIGKZZIBNY-UHFFFAOYSA-N 415.490 3.374 0 40 HGAB COc1ccc(CCC(=O)Nc2ccccc2C(=O)OCC(=O)NC2CCCC2)cc1 7191687 PSJBPOLOLVIXPH-UHFFFAOYSA-N 424.497 3.482 0 40 HGAB COc1ccc(CCNS(=O)(=O)c2ccc(C)c(C(=O)N3CCCCC3)c2)cc1 7604439 CKHJGQFQABXQNG-UHFFFAOYSA-N 416.543 3.151 0 40 HGAB COc1ccc(C(=O)/C=c2\[nH]c(=O)/c(=C\c3ccc(Cl)c(Cl)c3)s2)cc1 7715411 ILWUGAKJJQQLJK-BEQMOXJMSA-N 406.290 3.244 0 40 HGAB CCCCCC[C@@]1(C)NC(=O)N(CC(=O)c2c(C)[nH]c(C)c2C(=O)OCC)C1=O 7737881 HNLXUTRAMPHDOC-OAQYLSRUSA-N 405.495 3.272 0 40 HGAB O=S(=O)(NC[C@H](c1ccccc1)S(=O)(=O)c1cccs1)c1cccs1 8038092 ZDJFVZPHBKPSMD-CQSZACIVSA-N 413.567 3.303 0 40 HGAB COc1ccc(CNC(=O)CCCN(c2cccc(Cl)c2)S(C)(=O)=O)cc1 8041555 UTXXNIZKNGNSMJ-UHFFFAOYSA-N 410.923 3.211 0 40 HGAB Cc1nc(SCC(=O)Nc2ccc(-n3cnnn3)cc2)c2c(C)c(C)sc2n1 8230830 JZZNVDLUGXLROY-UHFFFAOYSA-N 411.516 3.323 0 40 HGAB COc1ccc(C(=O)N2CC[C@H]3CCCC[C@H]3C2)cc1S(=O)(=O)N1CCCC1 8345894 PAPFBBRXWLOWFN-AEFFLSMTSA-N 406.548 3.132 0 40 HGAB COc1ccc(NC(=O)COC(=O)CCCC(=O)Nc2ccc(C(C)=O)cc2)cc1 8412724 VWZNIJJCDWFSKE-UHFFFAOYSA-N 412.442 3.189 0 40 HGAB Cc1ccccc1C(=O)NCc1nn(CC(=O)N[C@H](C)c2ccccc2)c(=S)n1C 8570973 YTUNHVKKBMHSER-MRXNPFEDSA-N 423.542 3.067 0 40 HGAB O=C(CN1C(=O)CC2(CCCC2)C1=O)N[C@H](c1ccc(F)cc1)c1cccs1 8923014 WOCSTGYYRUHQNP-LJQANCHMSA-N 400.475 3.412 0 40 HGAB O=C(Nc1nccs1)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccccc1F 9562254 APTRVKHDWFKEMM-INIZCTEOSA-N 417.487 3.037 0 40 HGAB CN(C)CCN(C(=O)c1ccc(F)cc1)c1nc2c(S(C)(=O)=O)cccc2s1 10337311 GXLYLRHWNJJZDO-UHFFFAOYSA-N 421.519 3.047 0 40 HGAB CC[C@@H](NC(=O)CCNC1=NS(=O)(=O)c2ccccc21)c1ccc(Cl)cc1 10423688 NFDDQSBXSYBUCB-MRXNPFEDSA-N 405.907 3.036 0 40 HGAB Cc1csc(NC(=O)C[C@H]2CSc3nc4c(cnn4-c4ccccc4)c(=O)n32)n1 11613361 AJQJUGOMTYUOTQ-ZDUSSCGKSA-N 424.511 3.023 0 40 HGAB C[C@H](NC(=O)c1ccco1)C(=O)Nc1nc2c(s1)CN(Cc1ccccc1)CC2 11763217 UIKDYYZTICVBND-AWEZNQCLSA-N 410.499 3.051 0 40 HGAB Cc1ccc2c(c1)C(=O)N([C@@H](C)C(=O)Nc1ncc(C)s1)CC1(CCOCC1)O2 12086922 GROPTDKYIMNGOS-HNNXBMFYSA-N 415.515 3.171 0 40 HGAB COc1ccc(-c2ccc(=O)n(CC3CCN(C(=O)N4CCCCC4)CC3)n2)cc1 12155896 XCJARWJDQAUEPS-UHFFFAOYSA-N 410.518 3.237 0 40 HGAB CCN(CC)[C@H](CNC(=O)Nc1ccc(S(N)(=O)=O)cc1)c1ccccc1Cl 12765465 PZTUMEPKCZPJGJ-GOSISDBHSA-N 424.954 3.192 0 40 HGAB CC(C)CCC[C@@H](C)NC(=O)CNC(=O)CNC(=O)c1ccc(Cl)cc1Cl 12768922 FWWBFJAKGRDKLC-CYBMUJFWSA-N 416.349 3.170 0 40 HGAB O=C([C@@H]1CCCN(c2nc(-c3ccccc3)nc3ccccc23)C1)N1CCOCC1 12776231 GSJGDGMOJZLUPG-LJQANCHMSA-N 402.498 3.372 0 40 HGAB COc1ccc(CNC(=O)[C@H](C)OC(=O)c2cc(C3CC3)nc3onc(C)c23)cc1 12817741 RTCJLQGIAAFCOU-ZDUSSCGKSA-N 409.442 3.279 0 40 HGAB CC1=NS(=O)(=O)NC(C)=C1CCC(=O)Nc1ccc(Br)c(C)c1 12978247 FABNIWQLVGYANO-UHFFFAOYSA-N 400.298 3.059 0 40 HGAB O=c1c2ccc(F)cc2ncn1Cc1nc(-c2cccc(Br)c2)no1 12994865 CZEXBYIMSTUTFV-UHFFFAOYSA-N 401.195 3.396 0 40 HGAB COc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)cc1OC 13145600 XNDWJCBIGCSUHZ-UHFFFAOYSA-N 418.515 3.439 0 40 HGAB COc1ccc(NC(=O)NCCCn2nc(-c3ccccc3)ccc2=O)cc1OC 13800382 IMHZQVMXISWYTK-UHFFFAOYSA-N 408.458 3.139 0 40 HGAB Nc1cc(=O)nc(SCC(=O)Nc2cccnc2Cl)n1-c1ccc(Cl)cc1 13838124 MLCXVELEZPOPMD-UHFFFAOYSA-N 422.297 3.247 0 40 HGAB COc1ccc(C(=O)Nc2nnc([C@H]3CC(=O)N(c4ccc(OC)cc4)C3)s2)cc1 13944236 YSJHBADSMPGCKJ-AWEZNQCLSA-N 424.482 3.328 0 40 HGAB Cc1ccc(C)c(OCCn2cc(C(=O)C(=O)N3CCOCC3)c3ccccc32)c1 14135981 JXMMJUVCQSEIAC-UHFFFAOYSA-N 406.482 3.379 0 40 HGAB COc1ccc(C)cc1[C@H](C)NC(=O)Cc1c(C)nc2nc(C(F)(F)F)nn2c1C 14899488 DRCZXHYSRMAFCZ-LBPRGKRZSA-N 421.423 3.497 0 40 HGAB Cc1nc(C(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)nn1-c1ccc(F)cc1 15191981 QMSVGWSDTTXXIF-UHFFFAOYSA-N 408.842 3.024 0 40 HGAB COc1ccc(CNC(=O)Cc2csc(NC(=O)c3ccc(OC)cc3)n2)cc1 15880984 HTZGGMREWMFUOF-UHFFFAOYSA-N 411.483 3.272 0 40 HGAB COc1ccccc1C1(CNS(=O)(=O)c2ccc(Cl)s2)CCOCC1 16973123 LHZOKOCJULTEQG-UHFFFAOYSA-N 401.937 3.437 0 40 HGAB CCCC[C@H](c1nnnn1C1CCCCC1)N1CCN(C(=O)c2ccco2)CC1 19502113 YPIBXWQWBUOYAF-GOSISDBHSA-N 400.527 3.461 0 40 HGAB COc1cccc(CN2C(=O)CCc3c(C)nc(CN(C)C(=O)C4CCCC4)nc32)c1 19698672 GQQZXEIURDNLGI-UHFFFAOYSA-N 422.529 3.422 0 40 HGAB CCOC(=O)c1c(NC(=O)CN2C(=O)COc3ccccc32)sc2c1CCCC2 19988269 CINLNFMIQWXXJI-UHFFFAOYSA-N 414.483 3.168 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(F)c(F)c3)C2)cc1C 20016812 UGTKJUZKMNUQLW-AWEZNQCLSA-N 424.469 3.321 0 40 HGAB COc1ccc(Br)cc1CN(C)C(=O)C[C@@H]1Oc2ccccc2NC1=O 20923102 WPAKNHWVMRZJFZ-KRWDZBQOSA-N 419.275 3.206 0 40 HGAB C[C@H]1Oc2ccccc2N(CCC(=O)Nc2nc(CN3CCCCC3)cs2)C1=O 22290445 RYBZHQWUVIXKQK-OAHLLOKOSA-N 414.531 3.272 0 40 HGAB C[C@H]1C[C@H](C)CN(Cc2csc(NC(=O)c3cccc(CS(C)(=O)=O)c3)n2)C1 22295081 IFFXFOMOZVGDEG-GJZGRUSLSA-N 421.588 3.418 0 40 HGAB Cc1ccc([C@](O)(CCNc2ccc3nnc(C(F)(F)F)n3n2)C(F)(F)F)o1 22406400 MZTDMLQIYHKMIM-CYBMUJFWSA-N 409.290 3.297 0 40 HGAB Cc1cc(C)c([C@H](C)NC(=O)COc2ccc(N(C)S(C)(=O)=O)cc2)cc1C 22605926 RBISEGUTNFSOIE-KRWDZBQOSA-N 404.532 3.264 0 40 HGAB COc1ccc([C@@H]2CCCN2C(=O)CCn2cnc3sccc3c2=O)cc1OC 25618288 JGXPVSJYYVHJLD-INIZCTEOSA-N 413.499 3.229 0 40 HGAB CC[C@H](C)C(=O)O[C@H]1CCC=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(=O)O)[C@@H]21 29571156 BOZILQFLQYBIIY-GJYIOPSLSA-N 408.535 3.470 0 40 HGAB in-vitro C[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)C(=O)Nc1ccc(Cl)cc1Cl 32096330 CDLAGQKKDDKSKQ-QWHCGFSZSA-N 420.296 3.490 0 40 HGAB Nc1cc(=O)[nH]c(SCC(=O)N2c3ccccc3SC[C@H]2c2ccccc2)n1 32741560 JVXAYGCCUIKYHM-HNNXBMFYSA-N 410.524 3.324 0 40 HGAB O=C(NC[C@H](c1ccco1)N1CCCC1)C1CCN(C(=O)c2ccsc2)CC1 32772367 ZGBFHXNOBXQWLQ-GOSISDBHSA-N 401.532 3.147 0 40 HGAB CCc1ccc(C(=O)N2CCN(S(=O)(=O)c3cccc4cc(C)cnc34)CC2)cc1 32808864 IKLHXZLTDLYHQB-UHFFFAOYSA-N 423.538 3.252 0 40 HGAB CCSc1ccccc1C(=O)OCC(=O)NCC1(N2CCOCC2)CCCCC1 32860373 VKXVJSDSBSCCGH-UHFFFAOYSA-N 420.575 3.107 0 40 HGAB CC(C)c1ccc(-n2ccnc2SCC(=O)NCCc2nnc3ccccn23)cc1 32903929 SGLKBMCPRNRFHV-UHFFFAOYSA-N 420.542 3.489 0 40 HGAB COc1cccc(C(=O)NCCN2C(=O)S/C(=C\c3ccccc3F)C2=O)c1O 32988012 DXNDONQAUONECZ-WJDWOHSUSA-N 416.430 3.006 0 40 HGAB O=C(Nc1nnc(C2CC2)s1)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1 36359749 ZSXNDEPARIYOPM-JTQLQIEISA-N 407.293 3.170 0 40 HGAB COc1cccc(NC(=O)CC[C@H]2N=C(O)N(CCc3c[nH]c4ccccc34)C2=O)c1 36593589 VSPQRDAZVJXTPP-HXUWFJFHSA-N 420.469 3.263 0 40 HGAB biogenic COc1ccc(C)cc1NC(=O)CCn1c(=O)cc(C(F)(F)F)c2cn(C)nc21 36621540 MAYZFZCRXNVXIF-UHFFFAOYSA-N 408.380 3.100 0 40 HGAB O=C(NC1CCN(C(=O)c2cccc(CN3CCCC3)c2)CC1)c1ccc(F)cc1 40158154 POUVVBPYZCIDEY-UHFFFAOYSA-N 409.505 3.456 0 40 HGAB CSc1ccccc1CN1CCC(CNC(=O)C(=O)NCc2cccs2)CC1 43942533 MDYYDKZCTKDZJG-UHFFFAOYSA-N 417.600 3.115 0 40 HGAB C[C@@H]1C[C@@H](C)CN(Cc2ccccc2CNC(=O)Cn2ncc3ccccc3c2=O)C1 48342587 GVVFWOHXPSSHQV-RTBURBONSA-N 418.541 3.191 0 40 HGAB O=C(c1ccc(Cl)c(Cl)c1)N1CCN(CC(=O)N2CCc3ccccc32)CC1 58934275 FAYCBKGGLCTTME-UHFFFAOYSA-N 418.324 3.341 0 40 HGAB Cc1nc(C(=O)N[C@H](C)c2cccc3ccccc23)nn1-c1nnc(C(F)(F)F)[nH]1 72259914 XCTGBVCREDXCHT-SNVBAGLBSA-N 415.379 3.357 0 40 HGAB CCn1ncc(Cl)c1C(=O)N[C@H]1C[C@@]2(CCC(=O)N(C)CC2)Oc2ccccc21 72327820 GVUCXNMEXFJTBP-KKSFZXQISA-N 416.909 3.191 0 40 HGAB CS(=O)(=O)[C@H]1CSCCN1C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 78878727 RCFHLJHJQYJQBR-NSHDSACASA-N 421.384 3.284 0 40 HGAB CCS(=O)(=O)Nc1ccc(NC(=O)NCc2cnc(C)n2-c2ccccc2)cc1 78953509 AFYDQUTXAINUKY-UHFFFAOYSA-N 413.503 3.264 0 40 HGAB COCC[C@@H](C)N1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 79072645 WREVCEGIBWZDKN-GFCCVEGCSA-N 414.877 3.090 0 40 HGAB C[C@H]1Oc2ccccc2O[C@H]1C(=O)OCC(=O)c1cnc(N2CCCCC2)s1 84678442 ZFMLVBMABOIBSD-FZKQIMNGSA-N 402.472 3.088 0 40 HGAB CC(=O)NCCN(C(=O)[C@H](C)SCc1ccccc1)[C@H](C)C(=O)OC(C)(C)C 96004664 CUQHOPUMWHUCOH-CVEARBPZSA-N 408.564 3.003 0 40 HGAB O=C(/C=C/c1ccc2c(c1)OCO2)N1CCC(S(=O)(=O)c2ccc(F)cc2)CC1 96099449 HELDUNQPZGMOEU-KRXBUXKQSA-N 417.458 3.033 0 40 HGAB O=C(Nc1ccccc1)[C@@H]1Cn2ccnc2C2(CCN(C(=O)c3ccccc3)CC2)O1 96144580 DDJDEIBWZAHGMR-FQEVSTJZSA-N 416.481 3.052 0 40 HGAB CN1C(C(=O)Nc2ccccn2)=C(O)c2sc(-c3ccccc3)cc2S1(=O)=O 96190793 WGXMJQRNMUDKQC-UHFFFAOYSA-N 413.480 3.310 0 40 HGAB COc1ccc(N2CCC[C@@H](C(=O)NCCc3c[nH]c4ccc(Cl)cc34)C2)nn1 96231602 YTCAFWVOHNGVLY-OAHLLOKOSA-N 413.909 3.195 0 40 HGAB CC(C)n1cnc([C@H]2CN(C(=O)c3ccccc3)c3ccc(C(=O)N(C)C)cc32)n1 96267849 VMWYNBUZCZOTFI-IBGZPJMESA-N 403.486 3.353 0 40 HGAB O=C(COc1ccc(F)cc1)NC[C@H]1CC[C@H](c2nnc(-c3cnccn3)o2)CC1 100156109 AKYCCJYEYHAOED-GASCZTMLSA-N 411.437 3.135 0 40 HGAB CC(=O)N1CCc2nc3cc([C@@H]4CCCCN4Cc4cccc(C)c4)nn3c(O)c2C1 100242991 MBKSSQZLFCYBBX-QFIPXVFZSA-N 419.529 3.375 0 40 HGAB O=C(CCN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@@H]2C1=O)Nc1cc(Cl)ccc1Cl 102529742 BDAMNHUDBSXVGI-RKVXBYLHSA-N 405.281 3.375 0 40 HGAB O=C([C@H]1C[C@H]1c1cccs1)N1CCN(C(=O)C2(c3ccccc3)CCOCC2)CC1 108703766 LUQMEBVOJGTUPZ-UXHICEINSA-N 424.566 3.271 0 40 HGAB O=C(NCC[C@H](CCO)c1ccccc1)C(=O)Nc1ccc(OC(F)(F)F)cc1 206629911 BYCFOFJMAAAELR-OAHLLOKOSA-N 410.392 3.196 0 40 HGAB Cc1ccc(N(CCCC(=O)NCCOCc2ccccc2)S(C)(=O)=O)c(C)c1 224646962 WYCSRPOYTPBHLU-UHFFFAOYSA-N 418.559 3.183 0 40 HGAB CCOc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1Cl 224977147 YXIPZTIHAKCENU-UHFFFAOYSA-N 422.934 3.194 0 40 HGAB CN(Cc1cccnc1)Cc1nc(C2(O)CCN(C(=O)c3ccccc3)CC2)cs1 225476343 IRJTWVGIINIONS-UHFFFAOYSA-N 422.554 3.294 0 40 HGAB biogenic,in-vitro O=C(c1cccc2ncccc12)N1CCO[C@@H](c2cccc(Nc3cnccn3)n2)C1 257206415 BDGZPGNRFPVDLF-HXUWFJFHSA-N 412.453 3.377 0 40 HGAB COCCC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccc(OC)c(O)c4)OCC[C@@]31C2 257333868 YDLKILGZWAVVBX-HJWLRSHASA-N 403.519 3.436 0 40 HGAB Cc1nc(-c2ccc(S(=O)(=O)NC[C@](O)(c3ccoc3)c3ccco3)cc2)co1 390826509 NCHLWIJSPPUPMQ-FQEVSTJZSA-N 414.439 3.050 0 40 HGAB COC[C@H](C)NC(=O)CN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccc(C)cc1 408613656 XAPVSZPALRUBEL-INIZCTEOSA-N 424.950 3.303 0 40 HGAB Cn1cc(C(=O)Nc2ccc(I)cc2)c(=O)c2ccccc21 408713257 QCRXTTKLAOZOCP-UHFFFAOYSA-N 404.207 3.395 0 40 HGAB O=C(CNS(=O)(=O)c1ccc(F)cc1)N(Cc1ccccc1)Cc1ccccc1 409131904 ZBTMZRQMUBKSEH-UHFFFAOYSA-N 412.486 3.333 0 40 HGAB O=C(CN1C(=O)N/C(=C/c2ccccc2Br)C1=O)Nc1ccccc1F 409211179 IFTWVOXOHCHTIR-OQLLNIDSSA-N 418.222 3.120 0 40 HGAB O=C1c2ccccc2CN1CC(=O)N1CCCC2=C[C@@H]3C[C@@H](CN4CCCC[C@@H]34)[C@@H]21 409415251 YANKGUFDQNGLKJ-CETSDDCJSA-N 405.542 3.064 0 40 HGAB CCn1nc(C)c(-c2cc(C(=O)N[C@@H]3CCc4cc(OC)c(OC)cc43)n[nH]2)c1C 524733287 DOMZJAKCVBGEKO-MRXNPFEDSA-N 409.490 3.344 0 40 HGAB CS(=O)(=O)c1nc(C(=O)NC2(c3ccc(Cl)cc3)CCC2)c2ccccn12 551694195 HRNNWEYBINHHBC-UHFFFAOYSA-N 403.891 3.200 0 40 HGAB CC1(C)CC[C@@H]2C[C@H](NC(=O)N3CCC([C@@]4(C)NC(=O)NC4=O)CC3)c3cccc1c32 553708409 GNKCBXYNEQXTON-NMCNPDOESA-N 424.545 3.306 0 40 HGAB O=S(=O)(Cc1ccc(C(F)(F)F)cc1)N1CCC[C@H](Oc2ncc(F)cn2)C1 575612686 LQMJOTOAXUQUHH-HNNXBMFYSA-N 419.400 3.008 0 40 HGAB COc1cc(Br)cc2sc(NC(=O)COC[C@@H]3CCCO3)nc12 1134827949 FBYFQDQGIUWFAZ-JTQLQIEISA-N 401.282 3.202 0 40 HGAB CC1=C2CC(=O)OC(C)(C)C2=CC[C@]2(C)C3=C(COC3=O)[C@](C)(C(=O)[C@@H](C)O)C[C@@H]12 1772592104 ZUTWSWQKZGMWHN-GLCMUYHZSA-N 414.498 3.194 0 40 HGAB O=C1CC2(CCN(C(=O)c3cnn4ccccc34)CC2)CN1Cc1cccc(F)c1 2055795832 DVQPNYFWSOCIEU-UHFFFAOYSA-N 406.461 3.128 0 40 HGAB Cc1cc(S(=O)(=O)N2CC[C@H]3C[C@]32C(=O)N2CCC(C)CC2)c(C)cc1Cl 2056225448 XHKWEVDVSKXNGL-OXJNMPFZSA-N 410.967 3.368 0 40 HGAB O=S(=O)(C1CCCCC1)N1CC[C@@H]2CN(c3cc(C(F)(F)F)ccn3)C[C@@H]21 2086896808 IWIWBCDDGQOAHO-CJNGLKHVSA-N 403.470 3.273 0 40 HGAB COC(=O)c1ccc(CSc2nnc(-c3ccc4c(c3)OCCCO4)n2C)o1 21723216 MHOKIQVOSGBCOA-UHFFFAOYSA-N 401.444 3.315 0 40 HGAB COc1ccc(C(=O)N(C)Cc2ccc([C@@H]3C[C@H]3C)o2)cc1S(=O)(=O)NC(C)C 29885163 YRLBZYUWXYUWMI-RHSMWYFYSA-N 420.531 3.371 0 40 HGAB COc1ccc([C@H]2c3c(-c4cc(C)ccc4O)n[nH]c3C(=O)N2CCCO)cc1OC 11916388 PIEYFPBNYPHQAW-QFIPXVFZSA-N 423.469 3.036 0 40 HGAB COP(=O)(OC)c1nc(-c2ccc(Br)cc2)oc1N1CCOCC1 12062715 RKUJBFUFPSAYJD-UHFFFAOYSA-N 417.196 3.052 0 40 HGAB O=C(CCn1cc(Br)cn1)N1CCN(C2C3CC4CC(C3)CC2C4)CC1 2739601 BHKXOTZPMMDKLZ-UHFFFAOYSA-N 421.383 3.005 0 40 HGAB CNS(=O)(=O)c1ccc(NC(=O)c2cccc(OC(F)(F)C(F)F)c2)cc1 2762412 DLAZFXLFDFCZJB-UHFFFAOYSA-N 406.357 3.084 0 40 HGAB CCOC(=O)c1cc(NC(=O)c2cccs2)ccc1OC[C@H](O)CNC(C)(C)C 3778847 PHMRLCQEIQGCHH-OAHLLOKOSA-N 420.531 3.305 0 40 HGAB investigational C[C@@H](C(=O)N[C@H]1CCCc2ccccc21)N1CCN(Cc2ccc3c(c2)OCO3)CC1 22039663 KOYUNFXSWDKDDZ-AVRDEDQJSA-N 421.541 3.115 0 40 HGAB CCOc1ccc(C(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)cc1OCC 2735057 OUWGCDAZAFTFSD-UHFFFAOYSA-N 401.415 3.310 0 40 HGAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)CCc1ccc(OC)c(OC)c1 7688931 VBIXMBSBDIIXPF-UHFFFAOYSA-N 403.431 3.079 0 40 HGAB COc1ccc(N([C@H](C)C(=O)N[C@H](C)c2ccccc2)S(C)(=O)=O)cc1Cl 10332282 DJXNUGBVTGQMMH-ZIAGYGMSSA-N 410.923 3.381 0 40 HGAB C[C@@H](OC(=O)CCNC(=O)c1ccc(F)cc1F)C(=O)c1c[nH]c2ccccc12 22443964 WZGIUWROEDJIAV-GFCCVEGCSA-N 400.381 3.381 0 40 HGAB COc1cc(C(=S)N2CCOCC2)cc(Cl)c1OCC(=O)Nc1ccccc1 8110852 MMHUKZVXTNBBFD-UHFFFAOYSA-N 420.918 3.374 0 40 HGAB COc1cc(C)c(CN2CCN([C@H](C)C(=O)Nc3ccc(F)cc3)CC2)cc1OC 22783706 ZEMGRIXWANUDQE-QGZVFWFLSA-N 415.509 3.296 0 40 HGAB CN(C)S(=O)(=O)c1cccc(C(=O)N2CCC(c3nc4ccccc4o3)CC2)c1 23534315 RMTSDUCPLPJYCX-UHFFFAOYSA-N 413.499 3.098 0 40 HGAB CCc1c(C(=O)Nc2nnc(C(CC)CC)s2)cnn1-c1ccc(OC)nn1 24795461 ZTFLRYLUQXUSRT-UHFFFAOYSA-N 401.496 3.241 0 40 HGAB O=C(CN1CCC(C(=O)N2CCCCCC2)CC1)Nc1ccccc1N1CCCC1 12533390 OSBPSGZRLLLBEG-UHFFFAOYSA-N 412.578 3.340 0 40 HGAB CC(C)CCn1c(S[C@@H](C)C(=O)N(C)[C@H]2CCS(=O)(=O)C2)nc2ccccc21 25760128 ALWRDDDTECEJFA-HOTGVXAUSA-N 423.604 3.209 0 40 HGAB Cc1cc(F)ccc1-n1c(=O)c2sccc2n(CC(=O)NC2CCCCC2)c1=O 57493222 NPHIYINJNBBGBY-UHFFFAOYSA-N 415.490 3.110 0 40 HGAB C[C@@H](NC(=O)CCC(=O)N1CCC(c2ccccc2)=N1)c1ccc(-n2ccnc2)cc1 12601183 DMTYVRXLRCXNNP-GOSISDBHSA-N 415.497 3.466 0 40 HGAB CC(C)Oc1ccc(CCCNC(=O)CN(c2ccccc2F)S(C)(=O)=O)cc1 22335179 QUCYKEAYAJNZLK-UHFFFAOYSA-N 422.522 3.128 0 40 HGAB CC[C@H](c1nnnn1Cc1ccc(OC)cc1)N1CCN(c2ccccc2F)CC1 57670938 TWGLXDUVTWQMPE-HXUWFJFHSA-N 410.497 3.142 0 40 HGAB CCOc1ccc(S(=O)(=O)NCCCN2C[C@H](C)O[C@H](C)C2)c2ccccc12 48289401 RJJLBVWMYCQSDB-CALCHBBNSA-N 406.548 3.016 0 40 HGAB COC(=O)[C@]1(CC(=O)OCc2ccccc2)C(=O)C[C@H]2CC[C@H]1N2Cc1ccccc1 100186431 GDTMPFQXOAQHNR-OTPAQWSUSA-N 421.493 3.285 0 40 HGAB O=C(CN1CCN(c2nc(C(F)(F)F)nc3ccccc23)CC1)N1CCCCCC1 58161187 MMBCXHFTNPEJLT-UHFFFAOYSA-N 421.467 3.173 0 40 HGAB CC(=O)N1CCc2nc3cc([C@H]4CCCCN4C[C@H]4CC=CCC4)nn3c(O)c2C1 100243139 JKEUSCCXKRDTLI-LAUBAEHRSA-N 409.534 3.223 0 40 HGAB Cc1ccc(S(=O)(=O)NC[C@@H]2CCCN(C(=O)/C=C/c3ccc(C)o3)C2)cc1 58266775 FNWAMSRBQLBZMS-PEKVBPLLSA-N 402.516 3.127 0 40 HGAB Cc1nc(C2(NS(=O)(=O)c3ccc(Br)cc3)CCCCC2)no1 45097169 ZVHQZDGNEXCYGC-UHFFFAOYSA-N 400.298 3.278 0 40 HGAB CC(C)(C)c1ccc(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 23053392 SKQAONODGQZDPX-UHFFFAOYSA-N 418.515 3.062 0 40 HGAB CC(C)c1ccc(-c2noc(CCC(=O)Nc3ccc(S(N)(=O)=O)cc3)n2)cc1 27673180 FXJKDEBVSGZTFN-UHFFFAOYSA-N 414.487 3.079 0 40 HGAB CCOC(=O)[C@@](NC(=O)c1cccnc1)(Nc1ccc(Cl)cc1)C(F)(F)F 2306175 LAJXPDYRQBTCJZ-INIZCTEOSA-N 401.772 3.399 0 40 HGAB NC(=O)c1ccccc1OCC(=O)N1N=C(/C=C/c2ccco2)C[C@@H]1c1ccco1 11320854 TXYCVKOHPQRYAA-QZEKMECESA-N 405.410 3.393 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)Nc1cccc2cnccc12 11666898 YVQLHBUXQILRIT-UHFFFAOYSA-N 411.483 3.280 0 40 HGAB COc1ccc(NC(=O)COC(=O)c2ccccc2NC(=O)c2ccco2)cc1OC 3483774 QXRCOXRHEOJACT-UHFFFAOYSA-N 424.409 3.345 0 40 HGAB O=C(COC(=O)c1ccccc1NC(=O)c1ccccc1)Nc1ccc2c(c1)OCO2 3543419 FGCILVJPHFZWSO-UHFFFAOYSA-N 418.405 3.463 0 40 HGAB Cc1ccc2nc(Nc3nc(CSc4nccc(C)n4)cc(=O)[nH]3)nc(C)c2c1 18222653 HJQGNHCMPMEZPH-UHFFFAOYSA-N 405.487 3.464 0 40 HGAB CC(=O)NCc1ccc(S(=O)(=O)Oc2ccccc2C(=O)Nc2ccccc2)cc1 12934506 YMCDOCXATQTLTI-UHFFFAOYSA-N 424.478 3.343 0 40 HGAB O=C(O[C@@H]1CS(=O)(=O)C[C@@H]1Nc1ccc(Cl)cc1)c1ccc(Cl)cc1 4158936 DNHHVTUMAAJOKE-JKSUJKDBSA-N 400.283 3.428 0 40 HGAB CCc1cccc(CC)c1NC(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O 409137077 UXNWDUQSKMQAIP-UHFFFAOYSA-N 420.531 3.233 0 40 HGAB CC(C)CC[C@@]1(C)NC(=O)N(CC(=O)NCCc2ccc(Cl)cc2Cl)C1=O 14249672 AUHBFBAJNVJAEM-LJQANCHMSA-N 414.333 3.399 0 40 HGAB COCCNC(=O)[C@@H]1CS[C@H](c2ccc(Cl)cc2)N1C(=O)OC(C)(C)C 9601092 GQPNBWPYWUMGOS-GOEBONIOSA-N 400.928 3.454 0 40 HGAB CCOc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)Cn1nnc2ccccc2c1=O 6580152 HKXHMPGSYBGSGH-UHFFFAOYSA-N 404.470 3.419 0 40 HGAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccc(C(F)(F)F)cc1 5615623 QTEQSVHXQQYNKD-UHFFFAOYSA-N 402.394 3.217 0 40 HGAB Cc1ccc(NC(=O)COC(=O)c2ccccc2SCC(=O)NC(C)C)cc1 6881416 DRZUWXFVHXXLTO-UHFFFAOYSA-N 400.500 3.407 0 40 HGAB COc1ccc(OC)c([C@@H]2C(C(=O)Nc3ccc(C)cc3C)=C(C)Nc3nnnn32)c1 6817640 MYYRTOXBLATASF-HXUWFJFHSA-N 420.473 3.235 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(C)c(NCC(=O)Nc2ccc(OC)cc2)c1 9368912 AEOXAJLTAXAQEU-UHFFFAOYSA-N 405.520 3.085 0 40 HGAB COCC(=O)N1Cc2c(nc(C)n2C(C)C)C2(CCN(Cc3ccccc3)CC2)C1 306144090 YVUXZWVFMGGFTC-UHFFFAOYSA-N 410.562 3.295 0 40 HGAB C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)N1CCC(c3c[nH]c4ccccc34)CC1)C2=O 95348580 GSRQKPJMYGICAF-FYSMJZIKSA-N 422.529 3.375 0 40 HGAB CC(C)CCO[C@H]1CCCC[C@@H]1Nc1ccc(S(C)(=O)=O)cc1S(C)(=O)=O 89821169 NUDFZANDQRZLIO-WMZOPIPTSA-N 417.593 3.279 0 40 HGAB COc1ccc(CN(C)S(=O)(=O)c2cccc(OC(F)(F)F)c2)c(OC)c1 24365702 RHHLAWQBNVERNQ-UHFFFAOYSA-N 405.394 3.423 0 40 HGAB O=C(O)CCSc1nc2ccc(NC(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C(=O)O)cc2s1 408751457 ZQDFWSOIIPWPBD-VUKUWZNJSA-N 418.496 3.325 0 40 HGAB Cc1ccc(CN2CC[C@@]3(COCc4c3n[nH]c4C(=O)NC3CCCC3)C2)s1 306140069 UISBUSUOWGIENG-NRFANRHFSA-N 400.548 3.126 0 40 HGAB CCCCOC(=O)CN1C(=O)S/C(=C/c2cc(OC)c(OC)cc2OC)C1=O 409210844 LRAMYBDVSQQORZ-CXUHLZMHSA-N 409.460 3.092 0 40 HGAB COC(=O)c1cc(NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)ccc1Cl 31054936 CVNMTYAGDVWSIC-UHFFFAOYSA-N 422.890 3.163 0 40 HGAB COc1ncccc1NC(=O)c1nc(-c2ccn(CCN(C)C)c2)n2ccccc12 306141702 WEGUKLMILJMRKB-UHFFFAOYSA-N 404.474 3.020 0 40 HGAB O=C(NC[C@H]1CCCOC1)[C@H]1CN(Cc2ccccc2)C[C@@H]1C(=O)c1ccccc1 72373038 MIWZJOWBCINJRO-PUHATCMVSA-N 406.526 3.160 0 40 HGAB O=C(NC[C@@H](c1ccsc1)c1ccco1)C(=O)Nc1cccc(N2CCCC2=O)c1 675007792 PVXNITCWDCMDGG-SFHVURJKSA-N 423.494 3.355 0 40 HGAB O=S(=O)(c1cc(F)ccc1NCc1nc(-c2cccnc2)no1)C(F)(F)F 78732848 HLYMPHBJZJOYHJ-UHFFFAOYSA-N 402.329 3.176 0 40 HGAB OCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1nc2ccccc2s1 223566716 ZAJLAHDIDYDFRP-OALUTQOASA-N 421.551 3.447 0 40 HGAB CC(=O)Nc1cccc(NS(=O)(=O)c2ccc3c(c2)sc(=O)n3C(C)C)c1 225714513 AYHCWFRXLWYDMG-UHFFFAOYSA-N 405.501 3.403 0 40 HGAB CCOC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(OC)c(Cl)c1 224951968 QTFVLWLVCSBKJB-UHFFFAOYSA-N 413.879 3.116 0 40 HGAB O=C(CCCN1c2cccc3cccc(c23)S1(=O)=O)NCCOCc1ccccc1 224118560 PMDWIRWZKSPGGQ-UHFFFAOYSA-N 424.522 3.462 0 40 HGAB COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1cccnc1 223711993 FWCIBEVDOBUQJV-RTWAWAEBSA-N 421.526 3.193 0 40 HGAB COCCCNC(=S)Nc1nc(N2CCCCCC2)cc(N2CCC[C@@H](C)C2)n1 225901309 ROEBRRVUOFKRTO-QGZVFWFLSA-N 420.627 3.416 0 40 HGAB Cc1ccccc1OC[C@H](C)NC(=O)c1ccc(N2CCCCS2(=O)=O)cc1 222590443 VWFDIMLAKULZTQ-KRWDZBQOSA-N 402.516 3.122 0 40 HGAB CN(C)C1CCN(C(=O)c2cc3c(s2)CCN3C(=O)c2ccc(F)cc2)CC1 96264552 OEZRSKJJSDBABF-UHFFFAOYSA-N 401.507 3.256 0 40 HGAB CC(C)CN1CC[C@@H]2Oc3ccccc3S(=O)(=O)N(Cc3cccnc3)[C@H]2CC1 96145882 MZCOROQTPATZPT-PMACEKPBSA-N 415.559 3.154 0 40 HGAB CC1(C)Oc2ccc(Cl)cc2[C@@H]2O[C@@H]3CCCN(C(=O)COCC(=O)O)[C@@H]3C[C@H]21 257211579 BZKCSYYZOINFRD-YVTWGWGSSA-N 423.893 3.049 0 40 HGAB CC(=O)N[C@@]12CCN(CCc3ccccc3)C[C@@H]1[C@@H](c1ccccc1)N(C(C)=O)C2 257282111 OSJLYJMYZZOKEB-UBFVSLLYSA-N 405.542 3.029 0 40 HGAB COc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H](C)CC(C)(C)c2ccccc2)cc1 260798366 SFFYROQAFDTHQI-QGZVFWFLSA-N 418.559 3.188 0 40 HGAB Cc1[nH]nc(C(=O)NC2(c3ccc(OCc4ccccc4)cc3)CCOCC2)c1O 1629526167 AOANHPBLCDNBDA-UHFFFAOYSA-N 407.470 3.438 0 40 HGAB Cc1nc2sccn2c1CN1CCC[C@@H](c2cc(=O)[nH]c(-c3cccnc3)n2)C1 72393141 QFGDPNVMNTWAIA-MRXNPFEDSA-N 406.515 3.229 0 40 HGAB C[C@H]([C@H](O)CC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 97978942 IPSHXEXQGICLQN-SQQVJSAMSA-N 408.579 3.449 0 40 HGAB in-vitro COc1ccc([C@@H](CNC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)N2CCCC2)cc1 12754315 UBOBNMYEBPJCJE-NZQKXSOJSA-N 421.541 3.310 0 40 HGAB COc1ccccc1NC(=O)CSc1nc2ccccc2n1CC(=O)N1CCCC1 12882251 OUQYHVWPQRDPBS-UHFFFAOYSA-N 424.526 3.398 0 40 HGAB Cc1ccc(CN(C)[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 13068783 RPFBVQPIVYJZTG-SFHVURJKSA-N 415.559 3.239 0 40 HGAB CC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)c2nc(-c3ccc(Cl)cc3)no2)cc1 13494909 UUKNCDSLTJMCTH-LLVKDONJSA-N 420.878 3.388 0 40 HGAB Cn1c(CNC(=O)[C@H]2CCCO2)nc2cc(NC(=O)c3ccccc3Cl)ccc21 13733552 PNBKRNRCLSQCDB-GOSISDBHSA-N 412.877 3.274 0 40 HGAB Cc1ccc(S(=O)(=O)N(CC(=O)NCCCOC(C)C)c2ccccc2C)cc1 14413532 NGIOYRJIOILTTB-UHFFFAOYSA-N 418.559 3.430 0 40 HGAB O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1O)c1ccc(-n2cccc2)cc1 17360553 CCXALUXVNYVSKL-UHFFFAOYSA-N 411.483 3.220 0 40 HGAB Cc1cc(-c2cnc(N3CCCC3)nc2[C@@H]2CCCN(Cc3ccnn3C)C2)on1 19122244 SDZPLVWMFGACPW-QGZVFWFLSA-N 407.522 3.153 0 40 HGAB CC(C)[C@@H]1C[C@H](C(F)(F)F)n2nc(C(=O)N3CCCC[C@@H]3CN(C)C)cc2N1 19451154 ZRVHWHBVJHWOSU-IJEWVQPXSA-N 401.477 3.383 0 40 HGAB CO[C@H]1CCC[C@@H](NC(=O)Cn2cc(C(=O)c3ccc(F)cc3)c3ccncc32)C1 19592676 WJCUCAPMUANWMK-MSOLQXFVSA-N 409.461 3.480 0 40 HGAB CC(=O)N1CCCCCCCN(C(C)C)Cc2cc(C(=O)N3CC(O)C3)ccc21 643575796 ONVMZQVGLSPCPP-UHFFFAOYSA-N 401.551 3.031 0 40 HGAB O=C(c1ccco1)N1CCN(c2ncc(-c3ccncc3)c(-c3ccco3)n2)CC1 12144352 FAGCKRYTFZRVMC-UHFFFAOYSA-N 401.426 3.354 0 40 HGAB O=C(CN1C(=O)[C@H]2CCCN2c2ncccc21)NC(c1ccccc1)c1ccccc1 19369550 MGSMDFICUZXICO-OAQYLSRUSA-N 412.493 3.303 0 40 HGAB COC(=O)c1ccc(COC(=O)c2cc(I)ccc2O)cc1 3316332 NHLGHRJDIBDVAC-UHFFFAOYSA-N 412.179 3.140 0 40 HGAB COc1ccc([C@H]2CCCN2C(=O)CN2C(=O)[C@@H](C)Oc3ccccc32)c(OC)c1 23313244 PBOZBXLQSBPDON-CRAIPNDOSA-N 410.470 3.181 0 40 HGAB C[C@H](Sc1nc2ccccc2c(=O)n1C)c1nc(N)nc(Nc2ccccc2)n1 31694598 BISLEBBTSPLKPD-LBPRGKRZSA-N 405.487 3.298 0 40 HGAB CCOC(=O)c1nn(-c2ccc(F)cc2)c(=O)c2c(NC(=O)C3CC3)scc12 4121273 MWXIWNOWKZEJRF-UHFFFAOYSA-N 401.419 3.112 0 40 HGAB CCN(CC)CCSc1nnc(N2CCN(c3ccccc3OC)CC2)s1 23139953 QGIAVRJKRPOKBG-UHFFFAOYSA-N 407.609 3.307 0 40 HGAB CCCCN1CCN(C(=O)c2cn(C(C)C)cc3c(=O)n(-c4ccccc4)nc2-3)CC1 23108683 RVGPFKGMGHGIQG-UHFFFAOYSA-N 421.545 3.278 0 40 HGAB CSc1ncc(Cl)c(C(=O)NCc2ccc(CN3C[C@H](C)O[C@H](C)C3)cc2)n1 40087458 JOEWSSGDVQGQRG-OKILXGFUSA-N 420.966 3.391 0 40 HGAB Cc1ccc(NC(=O)CSc2nc3c(=O)[nH]cnc3n2-c2ccccc2)cc1C 20394716 XTOBIFWASJCCKZ-UHFFFAOYSA-N 405.483 3.456 0 40 HGAB CCC(=O)N(c1nnc(SCC(=O)c2ccc3c(c2)[C@@H](C)C(=O)N3)s1)C1CC1 102290271 YNYPTKVXTSYLFQ-SNVBAGLBSA-N 416.528 3.474 0 40 HGAB CN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)c2ccccc2C(=O)O)cc1 1003988 WIZBPXGDKQWWOQ-UHFFFAOYSA-N 410.451 3.462 0 40 HGAB COC(=O)CN1C(=O)S/C(=C\c2ccc(-c3ccc(C(=O)O)cc3C)o2)C1=O 1161939 NZGAHVKYNJJCCT-NVNXTCNLSA-N 401.396 3.163 0 40 HGAB CN(C)CCCNC(=O)c1nc2c3c4c(sc3ncn2n1)C[C@@H](C(C)(C)C)CC4 2440660 WDBMLXLVXJYLFY-ZDUSSCGKSA-N 414.579 3.172 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2ccc(C)c(C)c2)cc1 3415459 IDOQEDVSYQGKAF-UHFFFAOYSA-N 418.515 3.129 0 40 HGAB CCOC(=O)[C@@]1(C)N[C@@H](c2ccccc2C)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@H]21 4885767 KIGAHMOFTZZRJP-XHOYROJHSA-N 406.482 3.075 0 40 HGAB COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2cc(Cl)c(N)cc2OC)c1C 4916917 RRZSUSMSEZEJMC-JTQLQIEISA-N 408.838 3.091 0 40 HGAB CCOC(=O)c1sc(NC(=O)[C@@H]2CC(=O)N(c3ccc(CC)cc3)C2)nc1C 4976683 BVFFEJDXWMGZDU-CQSZACIVSA-N 401.488 3.182 0 40 HGAB Cc1ccc(S(=O)(=O)NCC(=O)OCc2coc(-c3cccs3)n2)cc1C 5229061 OTOPTMZBIDXKLL-UHFFFAOYSA-N 406.485 3.042 0 40 HGAB C[C@H](Sc1nnc(C2CC2)n1C1CC1)C(=O)Nc1ccc(N2CCOCC2)cc1 5261763 JLSBRIWLPCWJKV-AWEZNQCLSA-N 413.547 3.446 0 40 HGAB CC(=O)c1sc(NC(=O)c2ccc(S(=O)(=O)N(C)C3CCCC3)cc2)nc1C 5373268 JZISVYPOMYFWLK-UHFFFAOYSA-N 421.544 3.470 0 40 HGAB COc1ccc(CCNC(=O)Cn2nc(-c3ccc4ccccc4c3)ccc2=O)cc1 5399147 YFBFTYMCVNSSGF-UHFFFAOYSA-N 413.477 3.431 0 40 HGAB CCN(CC)CCN(S(=O)(=O)c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1 5469539 AFYXZGBFVOHJEM-UHFFFAOYSA-N 424.588 3.025 0 40 HGAB CCOC(=O)c1c(NC(=O)COc2ccccc2F)sc(C(=O)N(C)C)c1C 5859715 GLUPJUZFMAEOTM-UHFFFAOYSA-N 408.451 3.092 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(F)cc3F)C2)cc1 6170517 HGELNHACWFQUPE-ZDUSSCGKSA-N 410.442 3.013 0 40 HGAB CCCNS(=O)(=O)c1ccc(OCC(=O)Nc2cccc(SC)c2)c(C)c1 7604564 WLHJTQKWYUQOEQ-UHFFFAOYSA-N 408.545 3.423 0 40 HGAB COC(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)cc1 7657346 HUBHLRNFZLIXIQ-UHFFFAOYSA-N 416.499 3.209 0 40 HGAB Cc1ccc(C)c(-n2nnnc2SCC(=O)NCCc2c[nH]c3ccccc23)c1 7735267 RESAAXCKVHPFKO-UHFFFAOYSA-N 406.515 3.211 0 40 HGAB Cc1ccc(Cl)cc1NCC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 7975652 FUYGXDDREPKJHJ-UHFFFAOYSA-N 407.923 3.484 0 40 HGAB COc1ccc(CCNC(=S)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 8026164 JGFGKQSGUFMTKJ-UHFFFAOYSA-N 419.572 3.009 0 40 HGAB C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)Nc3ccccc3Cl)c2)C[C@H](C)O1 8855981 ATNDMNBSNRJTBR-KBPBESRZSA-N 408.907 3.390 0 40 HGAB CCN(c1ccc(C(=O)NCCSCc2ccc(C)cc2)cc1)S(C)(=O)=O 10008557 QSPSZMQHNBFNLE-UHFFFAOYSA-N 406.573 3.444 0 40 HGAB COc1cc(OC)c(NC(=O)CCn2nc(-c3cccs3)oc2=O)cc1Cl 11604265 LDUIUOJBXGQVCF-UHFFFAOYSA-N 409.851 3.264 0 40 HGAB Cc1cc(=O)n2c(-c3ccc(NS(=O)(=O)c4c(C)noc4C)cc3)csc2n1 11696398 MEJRLUPLSQEYTL-UHFFFAOYSA-N 416.484 3.137 0 40 HGAB COc1ccc(C(=O)N2C[C@H]3CCCN(Cc4ccc(OC)c(OC)c4)[C@H]3C2)cc1 12188385 CFTLUCCBCICHDU-CTNGQTDRSA-N 410.514 3.449 0 40 HGAB O=S(=O)(c1ccc(F)cc1)c1nc(-c2ccccc2F)oc1N1CCOCC1 12419734 YXQQXQVCLLUSTE-UHFFFAOYSA-N 406.410 3.289 0 40 HGAB CCn1c(=O)n(CCC(=O)N[C@H](C)c2ccc(-n3ccnc3)cc2)c2ccccc21 12547367 AJDYKDIXIVINQA-QGZVFWFLSA-N 403.486 3.276 0 40 HGAB CC[C@H](C)[C@@H](C(=O)OCc1cccc(C(=O)OC)c1)N1C(=O)c2ccccc2C1=O 12764772 KFGAQDSOZDQRLU-LIRRHRJNSA-N 409.438 3.227 0 40 HGAB O=C(Cn1[nH]c(=O)c2ccccc2c1=O)OCC(=O)c1ccc(C2CCCCC2)cc1 12897364 FUJZMAZVVZMUDI-UHFFFAOYSA-N 420.465 3.164 0 40 HGAB Cc1cc2ncc(C(=O)N3CCN(Cc4cccc(C(F)(F)F)c4)CC3)c(C)n2n1 12941364 PUEGGCBJSRQXEP-UHFFFAOYSA-N 417.435 3.323 0 40 HGAB CC(=O)Nc1cccc(C(=O)N2CCN(CCOc3ccc(Cl)cc3)CC2)c1 12999257 VWEUJMNJPKYEKR-UHFFFAOYSA-N 401.894 3.135 0 40 HGAB CO[C@@H]1CCC[C@@H](C(=O)N2CCC(c3nnc(O)cc3-c3cc(C)no3)CC2)C1 13226262 GDCIHGKEWGNSBC-HZPDHXFCSA-N 400.479 3.057 0 40 HGAB O=C(NCc1ncc(-c2ccccc2)o1)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O 13234965 MNLPZJKNASGRIC-GOSISDBHSA-N 404.426 3.318 0 40 HGAB CCOC(=O)c1c(NS(=O)(=O)c2ccc3c(c2)OCCO3)sc2c1CCCC2 14186288 RFPWVSPBFMXZNM-UHFFFAOYSA-N 423.512 3.376 0 40 HGAB O=C(c1n[nH]c(=O)c2ccccc12)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CC1 14200031 FCEIJZQQVJMJBW-UHFFFAOYSA-N 421.844 3.431 0 40 HGAB Cc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)NC3CCCC3)cc2)cc1 15080769 RBBSMMGJZUGOLY-UHFFFAOYSA-N 402.516 3.258 0 40 HGAB CCCC(=O)Nc1cccc(C(=O)OCc2cc(=O)n3nc(C4CC4)sc3n2)c1 15771996 TZTZFFYRJABOKJ-UHFFFAOYSA-N 412.471 3.124 0 40 HGAB Cc1nc(C)c(CCC(=O)N2CCc3onc(Nc4cccc(C)c4C)c3C2)c(=O)[nH]1 19235656 QCAOOZWEDLUQHU-UHFFFAOYSA-N 421.501 3.253 0 40 HGAB CCOc1ccccc1C(=O)N1CCCC[C@H]2CN(C(=O)CC[C@H]3CCCO3)C[C@H]21 19520096 YYOZZCCEBKWNNI-QKNQBKEWSA-N 414.546 3.498 0 40 HGAB Cc1ccc([C@@H]2CCCN2C(=O)c2ccc(=O)n(CC(=O)N3CCCCC3)c2)cc1C 19751154 XYBBPSGSLNBJFE-QFIPXVFZSA-N 421.541 3.455 0 40 HGAB Cc1nc([C@@H]2CCCN(C(=O)COc3ccccc3)C2)ncc1C(=O)N1CCCCC1 19763031 SAXCFXOYZGXYLJ-LJQANCHMSA-N 422.529 3.196 0 40 HGAB COc1cc(CN2CCN(Cc3ccc(Br)cc3)CC2)cc(OC)c1O 19889508 HEGQCOQXYDDAAB-UHFFFAOYSA-N 421.335 3.490 0 40 HGAB CCOc1ccc(Br)cc1S(=O)(=O)N1CCN=C1c1ccccc1 19909366 RNCQFQYRHFFYST-UHFFFAOYSA-N 409.305 3.299 0 40 HGAB Cc1ccc([C@H](C)NC(=O)C2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1 19932160 SWHHRVHBRLRQME-SFHVURJKSA-N 400.544 3.414 0 40 HGAB O=C(C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1)N1CCCc2ccccc21 20455324 LUFPHRCJOQOAJL-UHFFFAOYSA-N 416.518 3.347 0 40 HGAB COc1ccc(-c2nnc(SCC(=O)Nc3ccccc3Cl)n2N)cc1OC 21107711 PEEHNLUWWTVLHV-UHFFFAOYSA-N 419.894 3.060 0 40 HGAB CC(C)N(C(=O)[C@H](C)Sc1nnc([C@@H]2COc3ccccc3O2)n1C)C(C)C 21603250 WFZWJZGVZCMYIR-YOEHRIQHSA-N 404.536 3.454 0 40 HGAB Cc1cccc(C)c1NC(=O)CN1CCN(CC(=O)c2cc(C)n(C3CC3)c2C)CC1 22797091 UYPWIRYNZJRGOI-UHFFFAOYSA-N 422.573 3.496 0 40 HGAB CCOC(=O)[C@H]1CCCN([C@@H](c2ccccc2)c2sc3nc(CC)nn3c2O)C1 22853401 QUXMOPZEVORLNA-RDJZCZTQSA-N 414.531 3.423 0 40 HGAB CCc1nc2sc([C@H](c3ccc(F)cc3)N3CCC4(CC3)OCCO4)c(O)n2n1 22854080 KDBGTGKCXKCSHI-INIZCTEOSA-N 418.494 3.126 0 40 HGAB O=S(=O)(c1ccc(Cl)cc1)N1CCN(Cc2cccc3cccnc23)CC1 24193349 CJHACULVYWISTK-UHFFFAOYSA-N 401.919 3.395 0 40 HGAB O=C(c1nc(-c2ccccc2)n2c1CCCCC2)N1CCN(c2cnccn2)CC1 24618073 NCPJLQVHIQODLC-UHFFFAOYSA-N 402.502 3.029 0 40 HGAB COC(=O)c1ccc(Cl)c(S(=O)(=O)N[C@@H](C)c2cc(OC)ccc2OC)c1 27959715 GQHXGYUJIGSZLV-NSHDSACASA-N 413.879 3.183 0 40 HGAB O=C(NCCc1cn2ccccc2n1)NCc1ccc(COCC(F)(F)F)cc1 29725839 HREOQOOZTMMDOV-UHFFFAOYSA-N 406.408 3.455 0 40 HGAB COc1cc2c(cc1OC)CN(C(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1)CC2 31239132 LPTNUCSJSXOWRA-INIZCTEOSA-N 404.507 3.236 0 40 HGAB Cc1nn(-c2ncnc3[nH]cnc23)c2c1[C@H](c1cccc(Cl)c1)SCC(=O)N2 31810918 MQDJCLBEDARXFS-HNNXBMFYSA-N 411.878 3.275 0 40 HGAB CCOc1cc(/C=C2\SC(=S)N=C2O)cc(Br)c1OCC(N)=O 32751868 JLSRSFYHKYDTOJ-YHYXMXQVSA-N 417.306 3.041 0 40 HGAB C[C@H](NC(=O)CN1C[C@@H](C(=O)N2CCCCC2)Oc2ccccc21)c1cccs1 32764676 PLGYUYOEOSKLCC-LPHOPBHVSA-N 413.543 3.205 0 40 HGAB O=C(CNC(=O)c1ccc2ccccc2c1)NCCNc1ccc(C(F)(F)F)cn1 32828319 NWGMWPOILBVVCI-UHFFFAOYSA-N 416.403 3.212 0 40 HGAB COC(=O)[C@@H](CCSC)NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccccc1Cl 36584944 SVJDYRSDTMPDNG-NVXWUHKLSA-N 422.938 3.015 0 40 HGAB CN(CCCNC(=O)C1CCN(C(=O)OCC(F)(F)F)CC1)c1ccccc1 40025522 JOKOAHKQRSNBMZ-UHFFFAOYSA-N 401.429 3.040 0 40 HGAB CCCCn1c(SCc2ccc(S(=O)(=O)N(C)C)o2)nc2ccccc2c1=O 40116078 GVLSFWCIKCPSED-UHFFFAOYSA-N 421.544 3.332 0 40 HGAB CCNC(=O)CCC/C=C/C[C@@H]1[C@H](O)C[C@H](O)[C@@H]1/C=C/[C@H](O)CCc1ccccc1 43773188 AQOKCDNYWBIDND-GJUJPUMESA-N 415.574 3.147 0 40 HGAB in-vitro COc1ccc(CNC(=O)CS(=O)(=O)Cc2cccc3ccccc23)cc1OC 45355428 NZFCFDXITVJELB-UHFFFAOYSA-N 413.495 3.088 0 40 HGAB CC(C)[C@@H](CNC(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1)N(C)C 65538578 VGTBERZBTPZUQR-MAUKXSAKSA-N 411.388 3.161 0 40 HGAB CCn1c(SCC(=O)N[C@@H](C)c2ccc(OC)cc2)nc2cc(C)[nH]c2c1=O 67235843 KDIUASKXAYVCQX-ZDUSSCGKSA-N 400.504 3.031 0 40 HGAB CC(=O)c1cccc(NC(=O)Cn2nnc(C(=O)Nc3cccc(C)c3C)c2C)c1 67323016 DOGJTGWUDAWONF-UHFFFAOYSA-N 405.458 3.297 0 40 HGAB C[C@@H](NC(=O)N1CCN(c2ccccc2)CC1)C(=O)Nc1nc2ccccc2s1 71335578 HNKCGTWDDZCSAS-OAHLLOKOSA-N 409.515 3.155 0 40 HGAB COCCC(=O)N1CCC[C@@H]1c1nc(C)c2c(n1)N(Cc1ccccc1OC)CCC2 72373753 AGMCZMWZHYRQMH-HXUWFJFHSA-N 424.545 3.446 0 40 HGAB CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@]12NC(=O)N(Cc1cccnc1Cl)C2=O 95405528 ADBHLNSIHWTNQF-XOBRGWDASA-N 422.913 3.241 0 40 HGAB COCCn1ccc2ccc(NC(=O)CCN3C(=O)[C@H](C)Oc4ccccc43)cc21 95457854 KOKAKSOMIANOOZ-INIZCTEOSA-N 407.470 3.430 0 40 HGAB COC(=O)c1ccc(C(=O)NCCn2nc(-c3ccncc3)c3c2CCCC3)cc1 96121454 DENIYDOCXBKNKN-UHFFFAOYSA-N 404.470 3.041 0 40 HGAB COc1ccc(CN2C(=O)N[C@@H](CCC(=O)Nc3cccc4ncccc34)C2=O)cc1 96224349 JVHRPHNEIZYHOH-FQEVSTJZSA-N 418.453 3.083 0 40 HGAB COc1cc2c(cc1OC)CN([C@@H]1CC(=O)N(c3cccc(Cl)c3)C1=O)CC2 96305300 OQHXYMGBVFRLDG-QGZVFWFLSA-N 400.862 3.047 0 40 HGAB CC[C@H](Oc1cccc(OC)c1)C(=O)N1[C@@H]2CC[C@@H]1c1cnc3cc(C)nn3c1C2 100142977 XWQXYHPONSFDKI-VMRPVKRXSA-N 406.486 3.492 0 40 HGAB CC(=O)Oc1ccc(N2C(=O)[C@H]3ON=C(c4ccc(Cl)cc4Cl)[C@H]3C2=O)cc1 101054654 YRMRTGOTPNGRDF-WBVHZDCISA-N 419.220 3.211 0 40 HGAB CCOC(=O)[C@@H]1S[C@@]2(C(F)F)C[C@@]1(O)c1c(c(OC)c3occc3c1OC)O2 102665213 UVSRNJPOKWRXBT-BMGDILEWSA-N 416.398 3.060 0 40 HGAB biogenic CC[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1)c1ccc(OC)cc1 106129644 DDESFWHWMSZCGB-RXVVDRJESA-N 416.543 3.363 0 40 HGAB O=C(Nc1cccc(CNC(=O)[C@@H]2CCCCN2C(=O)c2ccco2)c1)c1ccco1 108619364 YJBLDPMXVSLLJH-SFHVURJKSA-N 421.453 3.436 0 40 HGAB Cc1cc(OCC(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)cc(C)c1Cl 218921129 CTRAZSDHQWXOEM-UHFFFAOYSA-N 422.934 3.175 0 40 HGAB Cc1cccc(N([C@H](C)C(=O)NCc2ccc(OC(C)C)cc2)S(C)(=O)=O)c1 220145871 XUORRRIXJJRNMZ-QGZVFWFLSA-N 404.532 3.253 0 40 HGAB COc1ccc(N([C@@H](C)C(=O)Nc2cccc(C)c2C)S(C)(=O)=O)cc1OC 220228463 KUDAJBANSIIHFE-HNNXBMFYSA-N 406.504 3.114 0 40 HGAB CS(=O)(=O)N(CCCC(=O)NCCc1ccc(F)cc1)c1ccc(F)cc1F 224811922 KRVNCHPIEYSUMC-UHFFFAOYSA-N 414.449 3.009 0 40 HGAB Cc1ccc(S(=O)(=O)N2CC[C@@H](Oc3ncccc3Br)C2)cc1C 238881299 PIAMCEIMJXMDSR-CQSZACIVSA-N 411.321 3.303 0 40 HGAB CCOC(=O)[C@@H]1[C@H](C)NC(=O)N[C@H]1c1cn(-c2ccccc2)nc1-c1ccc(C)o1 252444411 UQFWCLJBQCFTQK-QMIHWGKISA-N 408.458 3.362 0 40 HGAB CCCN1CCN(CCC(N)=O)C[C@H](Cc2ccc(-c3ccccc3F)cc2)C1=O 257282156 OSPALTNXWVKFED-FQEVSTJZSA-N 411.521 3.081 0 40 HGAB C[C@@]12C[C@H](c3ccccc3)N(C(=O)c3cccc4c3OCCO4)[C@@H]1CCC[C@H](O)[C@@H]2O 257313414 USHJTBLZDHYSJM-LUUNSMAKSA-N 423.509 3.326 0 40 HGAB COc1ccc(NC(=O)CN2CC[C@H](Oc3cccc(F)c3)[C@@](C)(O)C2)cc1Cl 257324252 WNVUSXUCEYDYKK-FPOVZHCZSA-N 422.884 3.331 0 40 HGAB Cc1ccn(-c2ccc(N3CCN(Cc4ccc(Br)cc4)CC3)nn2)n1 301710253 JYXGPDROQLOJEL-UHFFFAOYSA-N 413.323 3.055 0 40 HGAB COC(=O)c1c(NS(=O)(=O)c2c(C)cc(C)cc2C)sc2c1CCN(C)C2 408604593 HFPCBFZAPPYZIP-UHFFFAOYSA-N 408.545 3.249 0 40 HGAB O=C(O)CN1C(=O)S/C(=C/c2cccn2-c2ccc(Br)cc2)C1=O 409129651 VMHDRERFOGVQDM-MDWZMJQESA-N 407.245 3.361 0 40 HGAB CC[C@@H]1C[C@@H](CC(=O)N(C)CCCN(C)C(=O)C[C@@H]2CCO[C@H](CC)C2)CCO1 582260671 IILORUAWGHEGBN-PLACYPQZSA-N 410.599 3.484 0 40 HGAB COc1cccc(-c2cc(C(=O)N3CCC[C@@H](Oc4nc(C)cc(C)n4)C3)n(C)n2)c1 585147440 YYFGAQHNFBPNQF-LJQANCHMSA-N 421.501 3.186 0 40 HGAB COc1ccc(-c2ccc3c(c2)CN2CCC[C@H]2C(=O)NCCOCCO3)cc1C 643589368 WNDOMNDVYVFHLS-NRFANRHFSA-N 410.514 3.160 0 40 HGAB C[C@@H]1CCCCN1CC(=O)Nc1ccc(F)c(NC(=O)c2ccc3nc[nH]c3n2)c1 680426457 OREDOVWDLDJKMV-CYBMUJFWSA-N 410.453 3.162 0 40 HGAB Cc1nc2ccccc2c(=O)n1CC1CCN(C(=O)NCc2ccc(F)cc2)CC1 1888970054 VYTNZPOODVPWRO-UHFFFAOYSA-N 408.477 3.466 0 40 HGAB Cc1cc(S(=O)(=O)N2CC[C@H]3C[C@@]32C(=O)N2CCC(C)CC2)c(C)cc1Cl 2056225447 XHKWEVDVSKXNGL-JXFKEZNVSA-N 410.967 3.368 0 40 HGAB Cc1ccc(C)c(OCC(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)on3)cc2)c1 696098 JLPOLSFLBSDEOH-UHFFFAOYSA-N 415.471 3.418 0 40 HGAB COc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(F)c(Cl)c3)CC2=O)cc1 800511 GVKANVXQMXJIKD-LBPRGKRZSA-N 420.824 3.023 0 40 HGAB CCc1ccccc1N(CC(=O)NCc1cccnc1)S(=O)(=O)c1ccccc1 886627 AVZOOMPTBDCJON-UHFFFAOYSA-N 409.511 3.156 0 40 HGAB COc1cc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nnc(C)s2)ccc1O 1020433 AOZKGULUWUOITC-KRWDZBQOSA-N 421.434 3.417 0 40 HGAB O=C(c1cccs1)[C@H]1[C@@H](c2ccc(F)cc2)NC(=S)N[C@@]1(O)C(F)(F)F 1314444 STEYOCFEPKCBKG-JMSVASOKSA-N 404.410 3.156 0 40 HGAB CCOC(=O)[C@@](Nc1ccc(C)cc1)(NS(=O)(=O)c1ccccc1)C(F)(F)F 2230187 ZRCHFFAYMKDTSB-QGZVFWFLSA-N 416.421 3.207 0 40 HGAB Cc1ccccc1-c1nnc(SCC(=O)Nc2ccc(Br)cc2)n1N 2397247 OIZZTDCHIIABBL-UHFFFAOYSA-N 418.320 3.461 0 40 HGAB O=C([C@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1)N1CCN(c2ccc(F)cc2)CC1 2954402 UCLCAJWOGHQWFX-AWEZNQCLSA-N 419.859 3.320 0 40 HGAB O=C(NCc1ccccc1Cl)C(=O)c1cn(CC(=O)N2CCCC2)c2ccccc12 3007620 GNXFZZDZVFPAOF-UHFFFAOYSA-N 423.900 3.416 0 40 HGAB CCOC(=O)[C@]1(C(F)(F)F)N=C(c2ccc(OC)cc2)OC(N2CCCCC2)=N1 3103634 RZBUYYYWFXGKFP-SFHVURJKSA-N 413.396 3.136 0 40 HGAB COc1cc2c(cc1OC)CN(CC(=O)Nc1ccc3c(c1)OC(F)(F)O3)CC2 3347144 ULOHCOCPXAPYNC-UHFFFAOYSA-N 406.385 3.022 0 40 HGAB COc1cc(/C=C/C(=O)O)cc(S(=O)(=O)Nc2ccc3c(c2)CCC3)c1OC 3364381 DSVHRBRUQWYDIT-RMKNXTFCSA-N 403.456 3.091 0 40 HGAB Cc1ccc(C(=O)Nc2cccc(Cl)c2C)cc1S(=O)(=O)N1CCOCC1 3554192 XAYYOJMJBPSFKF-UHFFFAOYSA-N 408.907 3.230 0 40 HGAB CC(C)OC(=O)[C@H]1[C@@H](c2ccc(Cl)cc2)[C@@H](C(=O)OC(C)C)C(=O)C[C@]1(C)O 4142585 CTPJHIYBLCRVGW-UGNRZPKXSA-N 410.894 3.283 0 40 HGAB C[C@@H]1Cc2ccccc2N1C(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 4166110 DHMQQUVGZPYAOA-AUUYWEPGSA-N 404.919 3.471 0 40 HGAB COc1ccc(C(=O)CSc2ncnc3c2nnn3-c2ccc(OC)cc2)cc1 4166799 BGXIJTGIDXZCCD-UHFFFAOYSA-N 407.455 3.203 0 40 HGAB COc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C2)cc1 4512404 LDJGTJHIYBDETH-AWEZNQCLSA-N 416.861 3.192 0 40 HGAB COc1ccc(C(=O)NC(=S)Nc2ccccc2N2CCOCC2)cc1Cl 4688544 DUKRXDNWUOMICV-UHFFFAOYSA-N 405.907 3.312 0 40 HGAB CC1CCC(NC(=O)COC(=O)c2ccccc2SCC(=O)NC(C)C)CC1 5286651 UBYQQTHYPGMMQD-UHFFFAOYSA-N 406.548 3.155 0 40 HGAB CCn1c(C)cc(C(=O)COC(=O)C[C@H](NC(N)=O)c2ccccc2Cl)c1C 5630162 HJECUSVQLJEUIE-KRWDZBQOSA-N 405.882 3.304 0 40 HGAB Cc1[nH]c2ccccc2c1[C@@H]1c2ccccc2C(=O)N1CC(=O)NCCN1CCCC1 6200521 CMOBQVFYJYZYPO-DEOSSOPVSA-N 416.525 3.234 0 40 HGAB CCn1c(CC(=O)Nc2ccccc2)nnc1SCC(=O)Nc1ccccc1F 6356630 OAXYNVWHGMMZDC-UHFFFAOYSA-N 413.478 3.349 0 40 HGAB O=C(CSc1nnc(Cc2ccccc2)o1)NC(=O)NCCC1=CCCCC1 6543795 BCINFIZGLWCQFQ-UHFFFAOYSA-N 400.504 3.469 0 40 HGAB C[C@@H]1CCCN(S(=O)(=O)c2csc(C(=O)Nc3cccc(C(=O)O)c3)c2)C1 6680927 MLPXNRYDASVEIA-GFCCVEGCSA-N 408.501 3.119 0 40 HGAB CCCn1c(=O)c2ccccc2n2c(S[C@H](C)C(=O)NC3CCCCC3)nnc12 6910403 LKIJZELLOYDRDY-CQSZACIVSA-N 413.547 3.384 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)c2n[nH]c3ccccc23)cc1 7139335 XDWXKOUUBIBRHD-AWEZNQCLSA-N 400.504 3.084 0 40 HGAB COc1ccc(Cl)cc1N([C@H](C)C(=O)N1CCc2ccccc2C1)S(C)(=O)=O 7872158 ONFWGJLYDIUWOG-CQSZACIVSA-N 422.934 3.088 0 40 HGAB CCc1ccccc1NC(=O)COC(=O)CCS(=O)(=O)c1ccc(Cl)cc1 7940051 WUGZSRKDMDJYHX-UHFFFAOYSA-N 409.891 3.248 0 40 HGAB CCOc1ccccc1N1C[C@H](C(=O)OCC(=O)Nc2cccc(C)c2C)CC1=O 8039808 GQYRJKVYCKRQMA-QGZVFWFLSA-N 410.470 3.237 0 40 HGAB COc1ccc(OC)c(NC(=O)CSc2nnc(NC(=O)c3ccco3)s2)c1 8823264 XEMUOHQFPVGXEV-UHFFFAOYSA-N 420.472 3.131 0 40 HGAB O=C(Nc1ccccc1N1CCOCC1)[C@H]1CC(=O)N(Cc2ccccc2Cl)C1 9367838 LVZYOXSAQGKRCN-KRWDZBQOSA-N 413.905 3.164 0 40 HGAB C[C@H](C(=O)NC(=O)NC1CCCCC1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 9591797 LXQILKMADAEJFZ-CRAIPNDOSA-N 401.507 3.142 0 40 HGAB Cc1sc2nc(CN3CCOCC3)nc(NCc3cn4ccccc4n3)c2c1C 9738170 RVFGKRNWPHFHCW-UHFFFAOYSA-N 408.531 3.400 0 40 HGAB CCOC(=O)Cc1csc(NC(=O)c2nn(-c3ccc(F)cc3)c3c2CCC3)n1 11173890 DIBUULPIFIFYIJ-UHFFFAOYSA-N 414.462 3.315 0 40 HGAB COc1ccc(-c2nc(CCNS(=O)(=O)c3cccc(F)c3)cs2)cc1OC 11758728 IHWWUVRDSMWELG-UHFFFAOYSA-N 422.503 3.487 0 40 HGAB COc1cccc(COc2coc(C(=O)NCc3c(F)cccc3F)cc2=O)c1 11963361 MNIDFYWPSGDBIX-UHFFFAOYSA-N 401.365 3.436 0 40 HGAB COc1ccc(CN2CCC(O)(Cn3nc(-c4cccs4)ccc3=O)CC2)cc1 12186602 SAEABSNHPWVOMG-UHFFFAOYSA-N 411.527 3.008 0 40 HGAB Cc1ccc2c(c1)C(=O)C[C@H]([C@H]1CCCN(C(=O)c3cc(-c4cnn(C)c4)no3)C1)O2 12237146 KDJOFUQHVKTZMU-YCRPNKLZSA-N 420.469 3.270 0 40 HGAB COc1ccc(CCC(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1OC 12549369 HLELJNVTQBFFAX-UHFFFAOYSA-N 423.435 3.399 0 40 HGAB COc1ccc(N(Cc2cccs2)C(=O)CSc2nc(N)cc(O)n2)cc1 12812773 UEVWSPCDMDQECY-UHFFFAOYSA-N 402.501 3.160 0 40 HGAB O=S(=O)(c1ccc(CNCc2ccccc2C(F)(F)F)cc1)N1CCOCC1 12813918 CXRMISCORPWEKJ-UHFFFAOYSA-N 414.449 3.016 0 40 HGAB Cc1ccc(N(CCCC(=O)NCCCN2CCCCCC2)S(C)(=O)=O)cc1C 13649310 MPHHWNGKOGSTGK-UHFFFAOYSA-N 423.623 3.232 0 40 HGAB NC(=O)Cc1ccc(C(=O)CSc2nnc(C3CC3)n2Cc2ccccc2)s1 14141898 AAWFZZOVXGCDNB-UHFFFAOYSA-N 412.540 3.268 0 40 HGAB C[C@]1(c2ccccc2)NC(=O)N(Cc2cc3c(cc2Br)OCCO3)C1=O 14266277 DYZARGYZFFPKHD-LJQANCHMSA-N 417.259 3.188 0 40 HGAB CC(C)(C)c1ccc(OCC(=O)N2CCO[C@@H](c3nc(-c4ccccn4)no3)C2)cc1 19084515 IMFGHWKKTRRWNH-LJQANCHMSA-N 422.485 3.408 0 40 HGAB Cc1nn(CCNC(=O)C2CCN(c3ncnc4ccccc34)CC2)c(C)c1Cl 19578276 KYJAKBLZWIGNHQ-UHFFFAOYSA-N 412.925 3.129 0 40 HGAB O=C(CCn1cnc2ccccc2c1=O)Nc1nc(-c2ccc3c(c2)CCO3)cs1 19655407 GCIDLRSQROABBY-UHFFFAOYSA-N 418.478 3.484 0 40 HGAB COCCC(=O)N1CCC[C@@H](c2ccc3c(NCc4ccccc4OC)n[nH]c3n2)C1 19742766 XAOPLVXUZRKJNG-QGZVFWFLSA-N 423.517 3.321 0 40 HGAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)CN1CCN(CC)CC1 20449551 RFFREHKQOMQOMU-UHFFFAOYSA-N 401.532 3.168 0 40 HGAB COc1cc2oc(=O)cc(C)c2cc1CCC(=O)N1CCN(Cc2ccccc2)CC1 20677607 JASUYGZBQGCQPR-UHFFFAOYSA-N 420.509 3.387 0 40 HGAB biogenic COc1ccc(S(=O)(=O)N[C@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)cc1Cl 22539385 IMPVZTOWFFBNBF-NWDGAFQWSA-N 414.886 3.032 0 40 HGAB COc1ccc([C@@H](CNCc2ccc(OC)c(OC(F)F)c2)N2CCOCC2)cc1 22789509 DBXYBWASSMUFAY-LJQANCHMSA-N 422.472 3.468 0 40 HGAB CN(C)[C@@H](CNC(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1)c1cccs1 23106611 VYXCVHSELHOVII-ZDUSSCGKSA-N 401.410 3.004 0 40 HGAB CNC(=O)c1nn(CN2CCC[C@@H]2c2nc3ccccc3s2)c(=O)c2ccccc12 24148749 CKBVGCNIDAIESB-QGZVFWFLSA-N 419.510 3.160 0 40 HGAB CCOc1ccccc1NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1 24612947 OJFCBNIJGZOHIQ-UHFFFAOYSA-N 420.506 3.405 0 40 HGAB CC[C@@H](C)[C@H](NC(=O)[C@@H](NC(=O)N1C=C(O)Nc2ccccc21)[C@H](C)CC)C(=O)O 25076485 CSSJVRRJMBZJLL-OSLDLMBLSA-N 418.494 3.015 0 40 HGAB COC(=O)c1n[nH]c2ccc(NC(=O)Cn3c(-c4cccc(C)c4)n[nH]c3=S)cc12 25082951 SPOVFUOZCSOGST-UHFFFAOYSA-N 422.470 3.218 0 40 HGAB O=C(NCCSC1CCCC1)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 25247567 JSSSKNOEMHMFKA-HNNXBMFYSA-N 414.568 3.018 0 40 HGAB Cn1ccnc1[C@@H](NC(=O)NC[C@@H]1COc2ccccc2O1)c1ccc(Cl)cc1 29322306 YBAWSNKVBCVNGT-APWZRJJASA-N 412.877 3.302 0 40 HGAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2cccc(OC)c2)cc1C 30334386 SNFSSEWLWHGWSH-UHFFFAOYSA-N 406.504 3.052 0 40 HGAB O=C(Nc1ccc(CNC(=O)[C@H]2CCCN(C(=O)c3ccoc3)C2)cc1)c1ccco1 30761791 BIXBKTMVDVCDAP-KRWDZBQOSA-N 421.453 3.294 0 40 HGAB CC[C@@H](C)C(=O)O[C@H]1CCC=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(=O)O)[C@H]21 31157647 BOZILQFLQYBIIY-OXAIVVBZSA-N 408.535 3.470 0 40 HGAB biogenic,in-vitro CSCC[C@@H](NC(=O)c1ccco1)C(=O)NC[C@H](c1ccco1)N1CCCCC1 31553101 KRMZBVNPBVAZAI-IAGOWNOFSA-N 419.547 3.068 0 40 HGAB CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N(C)Cc2ccc(Cl)s2)C1=O 32502478 JWGCIMCQKMGMQY-IBGZPJMESA-N 405.907 3.217 0 40 HGAB COc1ccc(CC(=O)N2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1 32797062 QBQFCDIZZRMCHG-UHFFFAOYSA-N 406.404 3.241 0 40 HGAB Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@@H]2[C@H]2CCCN21 34880550 VLLJMMUWEYSLRX-CROMWVBPSA-N 421.884 3.080 0 40 HGAB O=C(CCCCCn1nnc2ccccc2c1=O)NCCc1c[nH]c2ccccc12 36352980 KWOKBXOKYGJHOJ-UHFFFAOYSA-N 403.486 3.192 0 40 HGAB COC(=O)c1ccc2c(=O)n(-c3ccccc3)c(SCc3oc(=O)oc3C)nc2c1 36646339 PKQDMSBZWOXTRG-UHFFFAOYSA-N 424.434 3.319 0 40 HGAB Cc1ccc(C)c(S(=O)(=O)NCCCCN2CCO[C@H](c3ccccc3)C2)c1 36700419 PNDIBTUISQMODF-NRFANRHFSA-N 402.560 3.435 0 40 HGAB O=C(CNC(=O)c1ccccc1Oc1ccccc1)Nc1ccc2[nH]c(=O)[nH]c2c1 39558730 QNTIVPQRRFLALP-UHFFFAOYSA-N 402.410 3.017 0 40 HGAB COc1cc(N2C[C@@H](C(=O)N[C@H](C)c3cccc(F)c3)CC2=O)cc(OC)c1OC 40068084 VYZLFUZNVMFVIU-HIFRSBDPSA-N 416.449 3.082 0 40 HGAB COc1nn(C)c2nc(C)c(CCC(=O)NCCOc3cccc(Cl)c3)c(C)c12 40113544 LDEKUFYRMJUFLB-UHFFFAOYSA-N 416.909 3.375 0 40 HGAB CC1CCN(CCNC(=O)c2cc(Cl)ccc2I)CC1 40121275 UHNUMJXRLLGWJU-UHFFFAOYSA-N 406.695 3.406 0 40 HGAB COc1ccc(Cc2cnc(NC(=O)[C@@H]3CCCN(C(=O)N(C)C)C3)s2)cc1 40132664 RPIZRUJHHUWSGZ-OAHLLOKOSA-N 402.520 3.075 0 40 HGAB COc1ccc(N2C[C@@H](c3noc(-c4ccc5c(c4)OCO5)n3)CC2=O)cc1OC 44417899 NECSZJCRAUAMFA-ZDUSSCGKSA-N 409.398 3.003 0 40 HGAB CC(C)CNC(=O)c1ccc(NC(=O)c2ccc(N3C[C@H](C)O[C@H](C)C3)nc2)cc1 55563121 VBSLLOXBZKTMNL-CALCHBBNSA-N 410.518 3.333 0 40 HGAB Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)Nc3cccnc3)Oc3cc(C)ccc32)cc1 64986037 NFQPSDNTYSXPCP-NRFANRHFSA-N 423.494 3.293 0 40 HGAB COc1ccc(OC)c(NC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2C(C)C)c1 67235922 IYQRONZGYDMKAX-UHFFFAOYSA-N 416.503 3.362 0 40 HGAB Cc1cc2nc(SCC(=O)NC3CCCC3)n(-c3ccc(F)cc3)c(=O)c2[nH]1 67237339 CFZOOEMHJKPQSO-UHFFFAOYSA-N 400.479 3.312 0 40 HGAB COc1ccc(NC(=O)[C@@H](C)NC(=O)N2CCN(c3ccccc3)CC2)cc1Cl 71334410 BRWWMFAJIABPPD-OAHLLOKOSA-N 416.909 3.207 0 40 HGAB C[C@@H]1CN2CCC[C@@H]2CN1Cc1cn(CC(=O)NCc2ccco2)c2ccccc12 72324702 MWGMYWLOMMNGNQ-UYAOXDASSA-N 406.530 3.219 0 40 HGAB CC(C)[C@@H]1NC(=O)c2ccccc2N(CC(=O)Nc2nc3ccccc3s2)C1=O 72325445 IKABAIJDSJWAGM-SFHVURJKSA-N 408.483 3.036 0 40 HGAB biogenic CCn1ncc(Cl)c1C(=O)N[C@@H]1C[C@]2(CCC(=O)N(C)CC2)Oc2ccccc21 72327821 GVUCXNMEXFJTBP-IIBYNOLFSA-N 416.909 3.191 0 40 HGAB CCOc1ccc(CN2C[C@@H]3[C@@H](CCC[C@]3(O)c3cnc(OC)nc3OC)C2)cc1 72343006 SPVKGXOCFVAXKB-WGGBDISSSA-N 413.518 3.012 0 40 HGAB Cc1cccnc1Nc1ccc(C2CCN(CC(=O)NCc3ccccn3)CC2)nc1 72374231 YXLPYXHHZNXVGA-UHFFFAOYSA-N 416.529 3.419 0 40 HGAB C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1CNc1ncc(Br)cn1 84678304 CMXZBPKRCNNOKK-CMPLNLGQSA-N 401.305 3.412 0 40 HGAB CCN(CC)CCN(CCC(F)(F)F)c1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 89968984 HWXRBWSMSVEREI-UHFFFAOYSA-N 422.455 3.209 0 40 HGAB Cn1cc(CCC(=O)Nc2ccc3c(c2)C(=O)N2CCC[C@H]2C(=O)N3)c2ccccc21 96114559 YEXXORNTAUBIAL-NRFANRHFSA-N 416.481 3.306 0 40 HGAB biogenic CSc1ccccc1CN1[C@H]2CC[C@H]1CC(O)(Cn1nc(C3CC3)ccc1=O)C2 100738335 NHLWWUSPZUMPQD-OALUTQOASA-N 411.571 3.401 0 40 HGAB Cc1ccc(C(=O)COC(=O)C2CCC(N3C(=O)[C@H]4[C@H]5CC[C@@H](C5)[C@H]4C3=O)CC2)cc1 101226591 QFQNABIZLIPWHD-JTMZQCSKSA-N 423.509 3.311 0 40 HGAB O=C(COC(=O)c1cc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)ccc1O)c1ccc(F)cc1 101357143 KFPVJGGPRGYCEZ-IRXDYDNUSA-N 423.396 3.027 0 40 HGAB COc1ccccc1N(CCCC(=O)N[C@H](C)c1ccc(C)cc1)S(C)(=O)=O 113968016 XDYHIZOTUBPURJ-QGZVFWFLSA-N 404.532 3.427 0 40 HGAB COc1ccc(-c2noc(CN(C)C(=O)[C@H](C)Oc3ccccc3C)n2)c(OC)c1 219290833 GQULICDIBPNIOB-HNNXBMFYSA-N 411.458 3.488 0 40 HGAB CCc1ccc(N([C@@H](C)C(=O)NCCCN(C)c2ccccc2)S(C)(=O)=O)cc1 220292578 AWGUVYLWVPWOHQ-SFHVURJKSA-N 417.575 3.046 0 40 HGAB Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)NC2CCCCCCC2)s1 223244014 AXDPOHRTJQEQMY-UHFFFAOYSA-N 408.549 3.490 0 40 HGAB CC(C)Oc1cccc(N(CC(=O)NC(C)(C)Cc2ccccc2)S(C)(=O)=O)c1 225841926 WKVNYGOIHOXTQY-UHFFFAOYSA-N 418.559 3.377 0 40 HGAB CCNC(=O)Cc1c(C)nc([C@H]2CCCN(C(=O)Cc3cccc(C)c3)C2)nc1C 257219080 DFNAIBWNXPBECT-FQEVSTJZSA-N 408.546 3.029 0 40 HGAB COc1ccc(C(C)C)cc1CN1CCO[C@@]2(CCCC[C@H]2NCC(=O)N(C)C)C1 306127001 FLGPNJHDHGKYNY-VWNXMTODSA-N 417.594 3.010 0 40 HGAB O=C(c1cc(-c2ccccc2)[nH]n1)N1CC[C@H](c2cccs2)S(=O)(=O)CC1 390829618 FKQPOAPGDSQCCH-GOSISDBHSA-N 401.513 3.140 0 40 HGAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cccc(Cl)c2)cc1Cl 408553195 OXURAFFSUPYYNT-JTQLQIEISA-N 403.287 3.308 0 40 HGAB CCCNS(=O)(=O)c1ccc(CCC(=O)N[C@H](C)CCc2ccccc2)cc1 408583236 GOWIUJLNHJEHSR-GOSISDBHSA-N 402.560 3.445 0 40 HGAB Nn1c(COc2ccccc2)nnc1SCC(=O)c1ccc(Br)cc1 409198717 DIRLQBVYOGWMOQ-UHFFFAOYSA-N 419.304 3.308 0 40 HGAB Cc1oc(S(N)(=O)=O)cc1C(=O)N1CCc2c(Cl)cc(Cl)cc2[C@@H]1C 539530038 MVPNFJJSXNILOP-QMMMGPOBSA-N 403.287 3.302 0 40 HGAB O=C(NC[C@@H](c1ccsc1)n1cccn1)C(=O)Nc1ccccc1C(F)(F)F 575613947 MOQXIBKISGVTTJ-HNNXBMFYSA-N 408.405 3.308 0 40 HGAB O=C(CCC(=O)N1CCC[C@@H](Oc2ncc(Br)cn2)C1)c1ccccc1 575614085 WLUQVQLLVJPJPL-MRXNPFEDSA-N 418.291 3.272 0 40 HGAB Cc1cc(C)nc(Nc2ccc([C@@H]3CCCN(C(=O)/C=C/c4ccnn4C)C3)nc2)n1 585291370 BOXBVVFDKQYFRP-PDFOZTTASA-N 417.517 3.385 0 40 HGAB CN(C)c1ncc2c(n1)CC[C@H](NC(=O)C1c3ccccc3Oc3ccccc31)C2 606440732 NDROVEZOYDFOHZ-INIZCTEOSA-N 400.482 3.454 0 40 HGAB O=C(Nc1cccc2cnncc12)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 683129478 UQGMOSRBRBTXCT-JOCHJYFZSA-N 422.444 3.476 0 40 HGAB COC(=O)[C@@H](NC(=O)c1cnnn1-c1cccc(F)c1)c1cccc(C(F)(F)F)c1 1611131282 FQKKSZFDFCMPEP-INIZCTEOSA-N 422.338 3.069 0 40 HGAB CN1C(=O)COc2ccccc2CCCCO[C@@H]2CN(Cc3ccc(F)cc3)C[C@@H]21 2037985833 XVKOZTFMAVBBHF-JTHBVZDNSA-N 412.505 3.269 0 40 HGAB COc1ccc(C(=O)N2CCC(C(=O)Nc3c(F)cccc3F)CC2)cc1OC 663893 WMBGEXKYTMUEJW-UHFFFAOYSA-N 404.413 3.473 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(F)cc3F)CC2)cc1 806914 TXHMHRKOGRGPCE-UHFFFAOYSA-N 410.442 3.013 0 40 HGAB C[C@@H](C(=O)N1CCc2ccccc2C1)N1C(=O)N[C@](C)(c2ccccc2Cl)C1=O 2646141 QJNSWAYJJGGKEZ-RCDICMHDSA-N 411.889 3.080 0 40 HGAB CCOC(=O)COc1cccc2c(=O)n(CC(=O)Nc3cccc(Cl)c3)ccc12 2712218 GVZWZSRWBPNLFY-UHFFFAOYSA-N 414.845 3.236 0 40 HGAB COc1ccc([C@]2(C)NC(=O)N(CCOc3ccc(Br)cc3)C2=O)cc1 3302996 XEAQNQFJNGJAMO-IBGZPJMESA-N 419.275 3.304 0 40 HGAB O=C(OCc1cc(Cl)ccc1OC(F)F)c1cc(S(=O)(=O)O)ccc1O 3305818 PCKLJRBMTNXPCI-UHFFFAOYSA-N 408.762 3.251 0 40 HGAB O=C(COc1ncnc2c1cnn2-c1ccccc1)Nc1ccccc1OC(F)F 3352968 GRMCEEDWPQBRKP-UHFFFAOYSA-N 411.368 3.434 0 40 HGAB CN(C)[C@@H](CNC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)c1ccco1 3378643 JMMDTGNTPCFMCW-WMZOPIPTSA-N 403.910 3.204 0 40 HGAB O=C(COc1ncnc2sc3c(c12)CCCC3)Nc1ccc(N2CCOCC2)cc1 3392875 MKILCYQNMGPXNP-UHFFFAOYSA-N 424.526 3.424 0 40 HGAB CN(C[C@H](CC(=O)O)c1ccccc1)S(=O)(=O)c1ccc(Br)cc1 3627419 ZAYJNNROIJHMNP-AWEZNQCLSA-N 412.305 3.328 0 40 HGAB C[C@@H](Oc1ccc2c3c(c(=O)oc2c1)CCC3)C(=O)NCC1CCC(C(=O)O)CC1 4023172 CIPDGAJKNINTBP-WLYUNCDWSA-N 413.470 3.056 0 40 HGAB biogenic O=C(NCCCc1ccccc1)C(=O)c1cn(CC(=O)N2CCCC2)c2ccccc12 4272094 JZXXFTSFTBKHFC-UHFFFAOYSA-N 417.509 3.195 0 40 HGAB COc1ccc(OCCSc2nnc(CC(=O)Nc3ccc(C)cc3)n2C)cc1 4735989 LCFPGIFVODFODU-UHFFFAOYSA-N 412.515 3.484 0 40 HGAB Cc1nnc(NC(=O)CSc2nnc(COc3ccccc3C(C)C)n2C)s1 4736375 YWWYRUQXEMHLPV-UHFFFAOYSA-N 418.548 3.408 0 40 HGAB O=C(N[C@@H]1CCCc2ccccc21)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 4982738 JCVOHAUNFMEJPO-RBBKRZOGSA-N 412.555 3.422 0 40 HGAB COc1ccc(Cl)cc1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccc(C)cc2)C1 6081758 PPFBFICDGHVJGR-CQSZACIVSA-N 416.861 3.192 0 40 HGAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2ccc(NC(C)=O)cc2)c1C 6348065 KCMAIWZPZWGPTI-ZDUSSCGKSA-N 400.431 3.195 0 40 HGAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)CN2c3ccccc3CC[C@@H]2C)c1 6822448 ODCOQHRSLUGEKD-KRWDZBQOSA-N 415.559 3.497 0 40 HGAB C=CCc1cc(/C=C(/C#N)C(=O)NC(N)=O)cc(OCC)c1OCc1ccccc1 6959879 MJLHLJHHVRRXDP-UNOMPAQXSA-N 405.454 3.495 0 40 HGAB CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccc2c(c1)OCCCO2 7218238 RIEMQQNRIJLAGU-UHFFFAOYSA-N 412.305 3.431 0 40 HGAB CC(=O)c1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)cc1 8038892 CDWVUBUUERPFJH-SFHVURJKSA-N 408.454 3.041 0 40 HGAB CCOc1ccc(NC(=O)c2ccc3c(c2)OCO3)cc1S(=O)(=O)N(CC)CC 8106214 MXZGLSNDKOUMDQ-UHFFFAOYSA-N 420.487 3.097 0 40 HGAB CCCNC(=O)[C@H]1CN(S(=O)(=O)c2ccc3ccccc3c2)c2ccccc2O1 8167518 HDKXKGRCPJLGTR-OAQYLSRUSA-N 410.495 3.322 0 40 HGAB CC(=O)[C@H](Cc1ccccc1)NC(=O)CSc1nnc(-c2ccccc2C)n1C 8735427 OZMREVQJFKNYCS-IBGZPJMESA-N 408.527 3.199 0 40 HGAB CC(C)[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N1CC=C(c2ccccc2)CC1 9218649 QTRFEKSPOPHPAQ-NRFANRHFSA-N 423.538 3.066 0 40 HGAB O=C(CSc1nnc2n1CCN2c1ccc(F)cc1)NCc1ccc(F)cc1 9573995 IXDRFLFKHGGIEQ-UHFFFAOYSA-N 401.442 3.117 0 40 HGAB COc1cccc(CNC(=O)C[C@@H]2CCCCN2S(=O)(=O)c2ccc(F)cc2)c1 11612902 JUORZWZTPGSNMP-SFHVURJKSA-N 420.506 3.084 0 40 HGAB O=C(CN1CCC2(CC1)Nc1ccccc1C1=NCCN12)Nc1ccccc1Cl 12086099 BRHLVNYGAQOBBG-UHFFFAOYSA-N 409.921 3.259 0 40 HGAB CC[C@H](C(=O)N1CCC2(CC1)CNC(=O)c1ccc(OC)cc1O2)c1ccccc1 12225958 SYKMBZVWGOSPDO-IBGZPJMESA-N 408.498 3.372 0 40 HGAB Cc1nc(-c2ccsc2)sc1C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 12917587 OEKOULVRDWZZEY-SNVBAGLBSA-N 407.542 3.318 0 40 HGAB CCCCN(Cn1nc(-c2ccc(C)cc2)n(C)c1=S)[C@H]1CCS(=O)(=O)C1 12933497 RAMSHRZTCYNMBW-KRWDZBQOSA-N 408.593 3.173 0 40 HGAB CCc1ccccc1NC(=O)CN1CCN(C(=O)N[C@@H]2CCCc3occc32)CC1 12984159 VMFNVAMIZOZKIH-HXUWFJFHSA-N 410.518 3.185 0 40 HGAB CCOc1ccc([C@H]2CCCN2C(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)cc1 12997150 LMNABKHLXJZBLJ-HXUWFJFHSA-N 414.527 3.385 0 40 HGAB COc1cc(/C=C/C(=O)N(C)Cc2ccc(C(=O)NC3CC3)cc2)cc(OC)c1OC 13011976 HUMLYDYRNOVMOH-KPKJPENVSA-N 424.497 3.276 0 40 HGAB O=C(NCCCn1nc(-c2ccc(F)cc2)ccc1=O)c1ccc2ccccc2n1 13797332 GHXTZCMAPOGIPE-UHFFFAOYSA-N 402.429 3.418 0 40 HGAB Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(OCC(N)=O)cc1)S[C@@H](C)C(=O)N2 13995316 FSORGLZTDPZYSX-VBKZILBWSA-N 422.510 3.208 0 40 HGAB CCN1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)Nc3cccc(C)c3)c2)CC1 14154800 DQZSWKSTRHQUCC-UHFFFAOYSA-N 421.950 3.227 0 40 HGAB COc1cc(CN2C(=O)N[C@H](Cc3ccccc3)C2=O)c(OC)cc1Br 14274451 RDDKXWKSPQDWEU-OAHLLOKOSA-N 419.275 3.129 0 40 HGAB Cc1ccc(SCCNC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)cc1 14803437 BYVPDHLPAKLRNS-UHFFFAOYSA-N 412.964 3.177 0 40 HGAB COc1ccc(CCNC(=O)COc2ccc(I)cc2)cc1 15315288 OIGIPBWFLNYDRO-UHFFFAOYSA-N 411.239 3.038 0 40 HGAB C[C@H](NC(=O)Nc1cccc(C(F)(F)F)c1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O 16322280 QYGCMQGAKLYZEY-LRDDRELGSA-N 423.391 3.028 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC(c3nc(-c4ccc(F)cc4)no3)CC2)cc1 16954387 XMZHUDNDYZZWOS-UHFFFAOYSA-N 417.462 3.453 0 40 HGAB CCc1c(C)sc2ncn([C@@H]3CCCN(C(=O)c4cn(CC)nc4C)C3)c(=O)c12 19521816 NVWWNZNXFAMXFX-OAHLLOKOSA-N 413.547 3.331 0 40 HGAB COc1cccc(C(=O)N(C)[C@H]2CCCN(C(=O)Cc3csc(C)n3)CC2)c1 19749883 PECMFWOVWHTTON-SFHVURJKSA-N 401.532 3.156 0 40 HGAB Cc1nc([C@@H]2CCCCN2C(=O)COc2cccc(C(F)(F)F)c2)ncc1C(N)=O 19764630 VPKBUTOMXGXZCS-INIZCTEOSA-N 422.407 3.035 0 40 HGAB CC[C@H](C)NS(=O)(=O)c1ccc(OCC(=O)N[C@@H]2CCCc3ccccc32)cc1 20019579 FEINUSWPGXRSNP-HRAATJIYSA-N 416.543 3.336 0 40 HGAB O=C(NCc1ccc(F)cc1)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1 20460120 HZOOGOHBAFIIIQ-UHFFFAOYSA-N 424.925 3.337 0 40 HGAB Cc1ccc(CS(=O)(=O)N2CCC(C(=O)NCCCc3ccccc3)CC2)cc1 20494513 SDHIKQAFPVUIDP-UHFFFAOYSA-N 414.571 3.286 0 40 HGAB Cc1ccc([C@@H](C)NC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cc1 22519485 LQNWYKGKFNGGBT-FZKQIMNGSA-N 408.907 3.053 0 40 HGAB COc1ccc(CN(C)C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1 23603227 MZISLAXYNAEKHR-IBGZPJMESA-N 422.934 3.160 0 40 HGAB O=C(Nc1cc2c(cc1Br)OCCO2)c1cc2ccccc2c(=O)[nH]1 24946678 KMNJEXHMODOISV-UHFFFAOYSA-N 401.216 3.314 0 40 HGAB O=S(=O)(N1CCCCCC1)N1CCN(c2ccnc3cc(Cl)ccc23)CC1 28939705 ZORPUWMGYVFKDP-UHFFFAOYSA-N 408.955 3.131 0 40 HGAB COc1ccccc1[C@H](C)NC(=O)[C@@H](CCSC)N1C(=O)[C@H]2CCCC[C@H]2C1=O 32808726 HKFHYHNYMCTSKW-DZJNRPSUSA-N 418.559 3.169 0 40 HGAB CCn1c(SCC(=O)Nc2cc(Cl)ccc2OC)nc2ncccc2c1=O 32876489 CBXMNPSAOVNITQ-UHFFFAOYSA-N 404.879 3.204 0 40 HGAB CSc1ncc(C(=O)NCc2ccc(Cn3cncn3)cc2)n1-c1ccc(F)cc1 32889876 HNLPRRGGDZGTDT-UHFFFAOYSA-N 422.489 3.303 0 40 HGAB COc1ccc(S(=O)(=O)N(C)c2ccc(OC(=O)c3cccc(C)n3)cc2)cc1 32909284 QFWWCGOPJJXEKD-UHFFFAOYSA-N 412.467 3.443 0 40 HGAB COC(=O)c1sccc1NC(=O)c1cc2c([nH]c1=O)C[C@@H](c1ccccc1)CC2=O 35506380 SPBQPGPXHQABPO-CYBMUJFWSA-N 422.462 3.388 0 40 HGAB Cc1ccc(N2CCN([C@@H](C(=O)O)c3cn(CC(=O)O)c4ccccc34)CC2)c(C)c1 36359069 QSEZSMOSDHMCON-HSZRJFAPSA-N 421.497 3.291 0 40 HGAB CCn1nccc1CNC(=O)c1cc(C2CC2)nc2onc(-c3cnn(CC)c3C)c12 36618906 LHWONWOTPFFDEL-UHFFFAOYSA-N 419.489 3.438 0 40 HGAB O=C(Cc1csc(NC(=O)c2cnccn2)n1)Nc1ccc(OC(F)(F)F)cc1 36657938 GKUZLRAXYCPOES-UHFFFAOYSA-N 423.376 3.265 0 40 HGAB O=C(NCCCN1CCCCCC1)c1ccccc1NS(=O)(=O)c1ccccc1 37020512 HJQXRIXLPDRWAI-UHFFFAOYSA-N 415.559 3.483 0 40 HGAB Cc1ccc(S(=O)(=O)NC2CCN(C(=O)C3CCCCC3)CC2)c2cccnc12 40093733 IZHNTRXFXPPXRA-UHFFFAOYSA-N 415.559 3.393 0 40 HGAB O=C(COc1ccc(Cl)cc1Cl)Nc1ccccc1CN1C(=O)CNC1=O 40134840 BPZHBBIPWKJWOW-UHFFFAOYSA-N 408.241 3.063 0 40 HGAB Cc1noc(C)c1CCC(=O)N1CCC[C@H](c2nnc(-c3ccc4c(c3)OCO4)o2)C1 42379970 ZXICAWVNMGCSPE-INIZCTEOSA-N 424.457 3.409 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@H](C)c3ccc(C)cc3)C2)cc1 44885260 OPMSFPHJQLVQTM-MJGOQNOKSA-N 416.543 3.282 0 40 HGAB CC[C@@H](C(=O)N[C@@H](C)c1ccc(OC)cc1)N(c1ccc(C)cc1)S(C)(=O)=O 44903180 BTCRWSOZQVGYML-JXFKEZNVSA-N 404.532 3.426 0 40 HGAB COc1ccc(NC(=O)N[C@H](C)CN2CCCC2=O)cc1NC(=O)OC(C)(C)C 48262055 AQOXGCCMZUPMLK-CYBMUJFWSA-N 406.483 3.175 0 40 HGAB O=C(NCCc1ccc(F)cc1)[C@H]1Cc2ccccc2CN1Cc1nc(C2CC2)no1 48289122 DKAVKHLIJYOAIA-OAQYLSRUSA-N 420.488 3.372 0 40 HGAB Cc1ccccc1-n1cc(C(=O)N2CCC(NC(=O)c3cccc(Cl)c3)CC2)nn1 49405888 VVUQTGCQESZFOR-UHFFFAOYSA-N 423.904 3.264 0 40 HGAB Cc1cc(C)cc(-n2ccn(Cc3nc(-c4ccc(Cl)cc4)no3)c(=O)c2=O)c1 49407725 FAUXILQIGSTVPH-UHFFFAOYSA-N 408.845 3.368 0 40 HGAB COc1ccc(Cl)cc1NC(=O)CN1CCN(C(=O)c2ccc(C)c(C)c2)CC1 57486202 KQRUNTVNNTXDSQ-UHFFFAOYSA-N 415.921 3.362 0 40 HGAB O=C(NCc1ccnc(-n2cccn2)c1)Nc1ccc(NC(=O)c2ccco2)cc1 58281111 HFWSZKVLNCPZTH-UHFFFAOYSA-N 402.414 3.434 0 40 HGAB O=C(CN1C(=O)NC2(CCCCC2)C1=O)Oc1ccc(C(=O)c2ccc(F)cc2)cc1 69002303 VLMPQEVIPZNJAX-UHFFFAOYSA-N 424.428 3.217 0 40 HGAB CCOC(=O)c1sc(NC(=O)N2CCSC[C@H]2C)c(C(=O)OCC)c1C 72291890 JMJULUFGOXHJFE-SNVBAGLBSA-N 400.522 3.379 0 40 HGAB Cc1cc(C)n2ncc(C(=O)N3CCC[C@@H]([C@H]4CC(=O)c5cc(F)ccc5O4)C3)c2n1 72396502 ULFNNBRIXRBFGZ-QVKFZJNVSA-N 422.460 3.371 0 40 HGAB O=C(CCNc1nc(Cl)nc2[nH]cnc12)Nc1nnc(C2CCCCC2)s1 72402112 YLAXBPNPQLREQL-UHFFFAOYSA-N 406.903 3.346 0 40 HGAB CC[S@@](=O)[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc(N2CCCC2=O)c(OC)c1 79051566 QPIVHZKZXYGHAS-GZJQFRAZSA-N 407.536 3.023 0 40 HGAB CC(C)(C)OC(=O)N1C[C@@H](c2cc(F)cc(F)c2)N(CC(=O)O)C(=O)C12CCCC2 85221457 LENNFQOUZCABOS-INIZCTEOSA-N 424.444 3.483 0 40 HGAB COCCn1ccc2c(NC(=O)CCNc3nc(Cl)nc4[nH]cnc34)cccc21 95477491 BDWBCPYVJRLURV-UHFFFAOYSA-N 413.869 3.048 0 40 HGAB CC1(C)[C@H]2OCC[C@H]2[C@H]1NC(=O)Nc1cccc(S(=O)(=O)Nc2ccccc2)c1 95996440 AQOZCTAHLRLDQE-OTWHNJEPSA-N 415.515 3.422 0 40 HGAB COC(=O)c1ccc(S(=O)(=O)NC2CCN(c3cc(C)ccc3F)CC2)c(C)c1 97163888 NVJCMVRAKSRNGY-UHFFFAOYSA-N 420.506 3.176 0 40 HGAB Cc1ccccc1N1C(=O)C[C@H](c2c(C)nn(-c3nc4ccccc4[nH]3)c2O)C1=O 100069104 SPLHAQVKRFZTEL-CQSZACIVSA-N 401.426 3.118 0 40 HGAB COc1ccc(S(=O)(=O)N(CC(=O)N[C@H]2C[C@@H]3CC[C@@H]2C3)c2ccccc2)cc1 100343908 ZEGLBFZVFOUWJP-LZJOCLMNSA-N 414.527 3.195 0 40 HGAB O=C(COC(=O)c1cccc(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)c1)c1ccccc1 100555630 GFAYCKKQCVIIGB-SNHGZMDHSA-N 403.434 3.262 0 40 HGAB CCOC(=O)[C@@H]1S[C@]2(C(F)F)C[C@]1(O)c1c(c(OC)c3occc3c1OC)O2 100641177 UVSRNJPOKWRXBT-WBAXXEDZSA-N 416.398 3.060 0 40 HGAB CCc1cc(=O)oc2c(C)c(OCC(=O)NC[C@H]3CC[C@H](C(=O)O)CC3)ccc12 100767457 UVQROKPDAKXSPK-FZNQNYSPSA-N 401.459 3.050 0 40 HGAB CCc1ccc(N2C(=O)[C@H]3N=NN(CC(=O)Nc4ccc(C(C)C)cc4)[C@@H]3C2=O)cc1 101166062 WFOWWIKOAMPKDP-SFTDATJTSA-N 419.485 3.304 0 40 HGAB Cc1ccc(C(=O)COC(=O)C2CCC(N3C(=O)[C@@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)CC2)cc1 102637602 RMSOVSYXAQZWFU-CXPMTYEKSA-N 421.493 3.087 0 40 HGAB COC(=O)c1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccco4)[C@H]3C2=O)cc1 102914554 AIRJRZRRFRLGKT-HSALFYBXSA-N 418.405 3.117 0 40 HGAB CCOC(=O)C1(C(=O)OCC)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(C)cc1 218333317 XEHTXIXENUYGDE-OALUTQOASA-N 416.495 3.047 0 40 HGAB CCOC(=O)[C@@]1(N)[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218534908 SUKOTUMNTYNMIY-SOLBZPMBSA-N 414.310 3.194 0 40 HGAB O=C(NCCSCc1ccccc1)c1ccc(N2CCCCS2(=O)=O)cc1 222579780 KDLRPFHSFHNSIL-UHFFFAOYSA-N 404.557 3.280 0 40 HGAB CS(=O)(=O)N(CC(=O)N[C@@H]1CCCc2ccccc21)Cc1ccccc1Cl 222737347 NECYEUGDJMAJAG-LJQANCHMSA-N 406.935 3.295 0 40 HGAB CC[C@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)COc1ccc(OC)cc1 223106735 FJVPIQUFEJYYEA-LJQANCHMSA-N 404.894 3.281 0 40 HGAB O=C(Nc1nnc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)s1)c1ccccc1 223527453 IRTDYKCXBGKVOB-UHFFFAOYSA-N 412.855 3.384 0 40 HGAB COc1ccc(S(=O)(=O)NCCOc2cccc(C)c2C)cc1Br 223923600 KUWKTKCBHPKUFR-UHFFFAOYSA-N 414.321 3.432 0 40 HGAB CCOc1ccc(S(=O)(=O)N(CC(=O)O)c2cccc(C(F)(F)F)c2)cc1 224587269 OQJHVSFDGWVWBK-UHFFFAOYSA-N 403.378 3.384 0 40 HGAB COc1ccc(Cl)cc1C[C@H](C(=O)O)N(C)S(=O)(=O)c1ccc(Cl)cc1 225165986 NYKABMAXQXFOGU-OAHLLOKOSA-N 418.298 3.318 0 40 HGAB COc1ccc(C[C@@H](C(=O)O)N(C)S(=O)(=O)c2ccc(Cl)cc2)cc1Cl 225166318 AFSKJLOEGHPSDK-HNNXBMFYSA-N 418.298 3.318 0 40 HGAB S=C(NCc1cccnc1)Nc1nc(N2CCCCC2)cc(N2CCCCC2)n1 225939627 VKPUZQFIPCJWGL-UHFFFAOYSA-N 411.579 3.339 0 40 HGAB C[C@@H]1C[C@@H]1C(=O)N1CCC[C@H]1c1nc(O)c2c(n1)CCN(Cc1ccccc1F)C2 253592210 ULFOUKLGNKCACO-IIMJZQEZSA-N 410.493 3.199 0 40 HGAB CC(=O)N1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)c1ccnn1C 257302775 SEIVHCNKDDQBMI-ACUMWEPGSA-N 420.557 3.426 0 40 HGAB COc1ccccc1N(CCCC(=O)N1c2ccccc2C[C@H]1C)S(C)(=O)=O 260796007 OFKXPWFHJLCXCQ-MRXNPFEDSA-N 402.516 3.219 0 40 HGAB Cc1cccc(CN2CCC[C@@]3(CN(C(=O)C4(F)CCC4)CC(F)(F)C3)C2=O)n1 306139241 SSZZTQZMAZSLEW-LJQANCHMSA-N 409.452 3.259 0 40 HGAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccc(F)cc2F)cc1Cl 408603551 KTHNPQFNPAPBHM-JTQLQIEISA-N 418.849 3.322 0 40 HGAB COC(=O)c1ccccc1-c1ccc(/C=C2/SC(=O)N([C@@H](C)C(=O)OC)C2=O)o1 409064496 CYBKYTWMONAKKW-YAFRSCOQSA-N 415.423 3.331 0 40 HGAB CCc1ccccc1C(=O)N1CCC2(CC1)CO[C@H](CN(C)[C@H]1CC[C@H](O)CC1)C2 585104813 TUEMJAXTPIZGDF-FKBYEOEOSA-N 414.590 3.496 0 40 HGAB CN(C)CC(=O)N1Cc2ccccc2NCC[C@@H]2CC[C@H](C1)N2Cc1ccccc1 643567997 DBUSBAYYCCJPPU-XZOQPEGZSA-N 406.574 3.426 0 40 HGAB O=C(Nc1cccc(F)c1)[C@]12C[C@H]1CCN2S(=O)(=O)c1ccc2ncsc2c1 2056224952 ICGIVZIBBCUBGF-BLVKFPJESA-N 417.487 3.227 0 40 HGAB CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)C)N3CCCCC3)cc2c1 782696 XHOMJLJCIOAPED-LJQANCHMSA-N 410.522 3.244 0 40 HGAB Cc1ccc2cc([C@H](c3nnnn3Cc3ccccc3)N3CCCCC3)c(=O)[nH]c2c1 892603 HLNOXVPRRROFAL-JOCHJYFZSA-N 414.513 3.447 0 40 HGAB O=C(Nn1c(COc2ccccc2)nc2ccccc2c1=O)C(Cl)(Cl)Cl 1243727 XRIGPWYPAMUKOE-UHFFFAOYSA-N 412.660 3.416 0 40 HGAB COc1ccc([C@@H]2C[C@@H](c3ccccc3)n3nc(N4C(=O)CCC4=O)nc3N2)cc1 2418907 MVGUOZHOIAPPOI-ROUUACIJSA-N 403.442 3.086 0 40 HGAB CC1CCC(NC(=O)CCCn2c(=S)[nH]c3cc4c(cc3c2=O)OCO4)CC1 2975260 IVLNSTCITWXTNU-UHFFFAOYSA-N 403.504 3.263 0 40 HGAB Cn1cnnc1SCC(=O)Nc1nc(-c2cccc(Br)c2)cs1 3312798 UJNDJPISSABQSV-UHFFFAOYSA-N 410.322 3.432 0 40 HGAB O=C1CCc2cc(NS(=O)(=O)c3ccc(Br)cc3)cc3c2N1CC3 5153423 VZYTVYBWIGVIQE-UHFFFAOYSA-N 407.289 3.085 0 40 HGAB C[C@H]1CCCC[C@@H]1NC(=O)Cn1c(CC(=O)NCc2ccco2)nc2ccccc21 5264771 PDOJSWZUYWALLO-WMZOPIPTSA-N 408.502 3.183 0 40 HGAB Cc1cc2oc(=O)cc(COC(=O)[C@@H]3CS[C@@]4(C)CCC(=O)N34)c2cc1Cl 5876516 VNLHRDYFNFDGTA-LIRRHRJNSA-N 407.875 3.252 0 40 HGAB O=C(CSc1nc2ccccc2c(=O)n1CCC1=CCCCC1)N1CCOCC1 6216788 VJJLHYYIRAWCRF-UHFFFAOYSA-N 413.543 3.238 0 40 HGAB CCc1nnc2n1N[C@H](c1ccc(OC)cc1)[C@H](C(=O)Nc1ccc(F)cc1)S2 6811992 XEXRJBHKAATYHG-QZTJIDSGSA-N 413.478 3.386 0 40 HGAB O=C(CN1CC[C@]2(O)CCCC[C@@H]2[C@@H]1c1ccc2c(c1)OCO2)NCc1ccccc1 6927385 OAPSQBRBZODEOZ-DCEDVJGZSA-N 422.525 3.400 0 40 HGAB biogenic NC1=Nc2nc3ccccc3n2[C@@H](c2cc(Br)ccc2OC(F)F)N1 7127560 JXIRPCLYUMHNBH-ZDUSSCGKSA-N 408.206 3.497 0 40 HGAB CCOc1cc([C@@H]2Nc3ccccc3C(=O)N2C2CC2)ccc1OCC(=O)N(C)C 7886235 HRRHWBFKEMFIPR-JOCHJYFZSA-N 409.486 3.281 0 40 HGAB COc1cccc(CCC(=O)Nc2cc3c(cc2C(=O)O)OCCCO3)c1OC 7986626 ZXLNHDWKDOUFLS-UHFFFAOYSA-N 401.415 3.135 0 40 HGAB O=C(N[C@H]1CCN2C(=O)c3cc(-c4ccccc4F)ccc3NC(=O)[C@H]12)C1CCCC1 8296681 VDAAJRYDAZSVBT-SFTDATJTSA-N 421.472 3.334 0 40 HGAB biogenic,in-vitro CCOc1ccc(CCNC(=O)c2cc(S(C)(=O)=O)ccc2C)cc1OCC 8352134 AFPKSNJJBVSBRJ-UHFFFAOYSA-N 405.516 3.168 0 40 HGAB CC(C)[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N1CC=C(c2ccccc2)CC1 9218650 QTRFEKSPOPHPAQ-OAQYLSRUSA-N 423.538 3.066 0 40 HGAB COC(=O)[C@H](CCSC)NC(=O)c1cc(-c2ccc3c(c2)OCCO3)oc1C 10041315 UVZAQVQICNECPT-HNNXBMFYSA-N 405.472 3.051 0 40 HGAB CC(C)[C@@H](NC(=O)c1c(F)cccc1F)C(=O)NCc1cnn(-c2ccccc2)c1 11562487 HSRPJTSLNSVQNY-HXUWFJFHSA-N 412.440 3.221 0 40 HGAB Cc1ccc(-c2cc(C(=O)N(Cc3ccco3)[C@H]3CCS(=O)(=O)C3)no2)cc1 11916440 BIKNSJULKUDTGP-INIZCTEOSA-N 400.456 3.073 0 40 HGAB O=C(CSC1=NN=C(c2ccccc2)Cn2c1cc1sccc12)N1CCOCC1 12114192 NOVHFXVSFBFRJP-UHFFFAOYSA-N 424.551 3.459 0 40 HGAB CN(C)c1ncc(-c2ccncc2)c(-c2ccc(CNC(=O)[C@H]3CCCO3)cc2)n1 12222390 NZDJNTKUXRNGCH-HXUWFJFHSA-N 403.486 3.067 0 40 HGAB C[C@H]1CCCC[C@@H]1NC(=O)CN1C(=O)COc2ccc(C(=O)c3cccs3)cc21 12239771 ILHUGTYVEJJBND-HOCLYGCPSA-N 412.511 3.399 0 40 HGAB CC(=O)Nc1nonc1N1C(=N)S/C(=C\c2ccc(-c3cccc(F)c3)o2)C1=O 12364319 QVUZUKUNYIHGKB-NCUFVCKSSA-N 413.390 3.483 0 40 HGAB CC(C)CCn1c(SCc2ccc(Cl)cc2)nc2c1c(=O)n(C)c(=O)n2C 12377510 AERWOWPVMOUZQZ-UHFFFAOYSA-N 406.939 3.426 0 40 HGAB O=S(=O)(c1cccs1)N1CCC(c2nc(-c3ccc4c(c3)OCO4)no2)CC1 12415381 SCGWJAOTJRPORI-UHFFFAOYSA-N 419.484 3.095 0 40 HGAB Cc1n[nH]c(SCC(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)n1 12588703 GGTZCZAEWPFYOL-UHFFFAOYSA-N 422.558 3.166 0 40 HGAB CCOC(=O)C1=C(C)N(CCCCCC(=O)O)C(=O)N[C@H]1c1ccc(OC)cc1 12893142 MLKLTGDBJNTATL-IBGZPJMESA-N 404.463 3.244 0 40 HGAB CCn1c(SCC(=O)Nc2nc3cc4c(cc3s2)OCCO4)nnc1C1CC1 13000738 YVAJDMFMPPTDJG-UHFFFAOYSA-N 417.516 3.287 0 40 HGAB Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)NCCN2CCOCC2)cc1 13007845 WOMSMNHTBNFYIA-UHFFFAOYSA-N 408.477 3.049 0 40 HGAB O=C(Nn1cnc2c(cnn2-c2ccc(F)cc2)c1=O)c1ccc(Cl)cc1Cl 13036721 HLTLAOBWNQESKR-UHFFFAOYSA-N 418.215 3.412 0 40 HGAB O=C(c1nc2ccccc2s1)C1CCN(C(=O)Cn2nnc3ccccc32)CC1 13267738 DTLKWZPKHGRGQA-UHFFFAOYSA-N 405.483 3.163 0 40 HGAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2cc(C)ccc2OC)cc1 13633329 GJBGVTUKTWJTHB-UHFFFAOYSA-N 406.504 3.052 0 40 HGAB COc1ccccc1C(=O)N[C@]1(C(F)(F)F)N=C(O)N(c2ccc(C)cc2C)C1=O 13655526 VEJWEHJQIUTVDL-IBGZPJMESA-N 421.375 3.261 0 40 HGAB O=C(NCCc1ccc(F)cc1)[C@H]1CCCN(C(=O)Cc2c[nH]c3ccccc23)C1 13722689 IBDCQEWFAJBHOH-SFHVURJKSA-N 407.489 3.447 0 40 HGAB COc1cc2c(cc1C(=O)Nc1sc3c(c1C(N)=O)CCCC3)OCCCO2 15826401 RRFQKUITBVWYHQ-UHFFFAOYSA-N 402.472 3.148 0 40 HGAB Cc1nn(C(=O)c2ccc(F)cc2)c(C)c1S(=O)(=O)N1CCc2ccccc2C1 15865220 WQIDKVJXBOCMQA-UHFFFAOYSA-N 413.474 3.075 0 40 HGAB CC(=O)c1cccc(NC(=O)C[C@@H]2SC(c3cc4ccccc4oc3=O)=NC2=O)c1 18992452 JBDZTHUJFPEIGC-SFHVURJKSA-N 420.446 3.413 0 40 HGAB COc1ccc(O)c(C(=O)OCC(=O)N(C)Cc2ccc3cc(OC)ccc3c2)c1 19062330 IBCNUSCJDAHGCH-UHFFFAOYSA-N 409.438 3.378 0 40 HGAB O=C(Nc1ncc(Cc2ccc(F)cc2)s1)[C@@H]1CC(=O)N(Cc2ccncc2)C1 19334819 AZIGHVHFFNURJD-MRXNPFEDSA-N 410.474 3.255 0 40 HGAB CNC(=O)[C@@]1(Cc2ccc(-c3cccs3)cc2)CCCN(C(=O)CCOC)C1 19591078 VODYXLPUVDTLII-JOCHJYFZSA-N 400.544 3.349 0 40 HGAB CNC(=O)c1[nH]c(C2CCN(C(=O)[C@H]3CC34CCC4)CC2)nc1-c1ccc(OC)cc1 19697043 YREFQWLWSSEUSK-GOSISDBHSA-N 422.529 3.341 0 40 HGAB Cn1c(=O)cc(C(=O)Nc2ccc(Cl)c(-c3nc4ccccc4s3)c2)[nH]c1=O 19714455 SJRNFMHNBRUUDZ-UHFFFAOYSA-N 412.858 3.256 0 40 HGAB COc1ccc(S(=O)(=O)CCNC(=O)c2noc3c2C[C@H](C(C)(C)C)CC3)cc1 19716679 XGFNDGYSKHYGNK-CQSZACIVSA-N 420.531 3.038 0 40 HGAB COc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccc(F)cc3)C2)cc1 19862442 BRAFECQGPSYFLG-MRXNPFEDSA-N 406.479 3.015 0 40 HGAB O=C(NCc1ccc(F)cc1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1 19931138 UHLMDZLYSCNSGY-OAQYLSRUSA-N 412.486 3.032 0 40 HGAB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1c(C)cc(C)cc1C 19931266 ADUQMHKYLDAWJD-ICSRJNTNSA-N 402.560 3.416 0 40 HGAB CC(C)(C)SCCNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl 20061863 FNRHXEIXVXGMSD-UHFFFAOYSA-N 404.985 3.386 0 40 HGAB COc1ccc(Cl)cc1N1C[C@@H](C(=O)Nc2ccc3oc(=O)ccc3c2)CC1=O 20722378 WZJMMDCDQJPIMM-ZDUSSCGKSA-N 412.829 3.447 0 40 HGAB CC[C@@H](C)[C@H](NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccccc1Cl)C(=O)OC 20723526 WAIWNQSLJFUOKC-PZPSRYQVSA-N 404.898 3.308 0 40 HGAB CCOc1ccc(NC(=O)c2cc(Cl)ccn2)cc1S(=O)(=O)N1CCCC1 21192709 ZFAZWPBFFNSSGP-UHFFFAOYSA-N 409.895 3.171 0 40 HGAB COc1cc(OC)c(NC(=O)COc2cc(C)nc(N3CCCCC3)n2)cc1Cl 21360361 HCGNNFHHCCYGJU-UHFFFAOYSA-N 420.897 3.463 0 40 HGAB COc1cc(NC(=O)COc2cc(C)nc(N3CCC[C@@H](C)C3)n2)cc(OC)c1 21360763 PWJHAUWXLPFXKQ-CQSZACIVSA-N 400.479 3.056 0 40 HGAB COc1ccc(N2C(=O)C[C@@H](N(C)Cc3ccc(SC)cc3)C2=O)cc1OC 22535358 GXFKLGFCWYYOIG-QGZVFWFLSA-N 400.500 3.190 0 40 HGAB O=C(NC1CC1)[C@@H](c1ccccc1)N1CCN(Cc2nc3ccccc3s2)CC1 22802902 UJPHZBXCRZAXKK-JOCHJYFZSA-N 406.555 3.434 0 40 HGAB Cc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)NCCN2CCOCC2)cc1C 23882474 ODNAYJRCRDRTSL-UHFFFAOYSA-N 418.541 3.277 0 40 HGAB Cc1ccc(C)c(OC[C@H](O)Cn2nnc(-c3ccccc3Br)n2)c1 24762978 IHZWTEWKVDFAKU-CQSZACIVSA-N 403.280 3.159 0 40 HGAB COc1ccc(Cl)cc1CN1CCC(NS(=O)(=O)c2cccs2)CC1 24984081 DBKOGODPVKETSZ-UHFFFAOYSA-N 400.953 3.353 0 40 HGAB O=C1NC2(CCCC2)C(=O)N1CCCNCc1ccccc1OCc1ccccn1 25311825 NBFPUPNJPYWEJN-UHFFFAOYSA-N 408.502 3.005 0 40 HGAB COc1cc(S(=O)(=O)N[C@@H]2CCCC[C@H]2C)ccc1I 27530688 JDYUTEXKOSCGSI-ZWNOBZJWSA-N 409.289 3.157 0 40 HGAB CCOc1ccc(N2C[C@@H](C(=O)N[C@@H](c3ccccc3)c3nccn3C)CC2=O)cc1 29070896 IFQJYQVFCGKHEF-AVRDEDQJSA-N 418.497 3.078 0 40 HGAB CC1CCN([C@H](CNC(=O)[C@H]2CCCN(c3cnccn3)C2)c2cccs2)CC1 29754325 FZIWYLRRDCLRKB-RBUKOAKNSA-N 413.591 3.344 0 40 HGAB C[C@]1(c2cc3ccccc3o2)NC(=O)N(CC(=O)NCCSc2ccccc2)C1=O 30345984 HICDECODJZDUPY-JOCHJYFZSA-N 423.494 3.108 0 40 HGAB CCc1ccc(NS(=O)(=O)c2cc3c(cc2Br)NC(=O)CO3)cc1 31665927 JFPGBVYFOHKIHI-UHFFFAOYSA-N 411.277 3.143 0 40 HGAB CCc1ccc(C(=O)[C@@H](C)Sc2ccc(S(=O)(=O)N3CCOCC3)cn2)cc1 31751830 BYCOPDNOXJGUNE-OAHLLOKOSA-N 420.556 3.028 0 40 HGAB O=C(NC[C@@H](c1ccccc1Cl)N1CCCC1)[C@@H]1CCCN(c2ncccn2)C1 32761043 HEEBDMZPIRANIR-XLIONFOSSA-N 413.953 3.300 0 40 HGAB COc1ccc(CCN2C[C@H](C(=O)OCc3ccccc3Cl)CC2=O)cc1OC 32999880 AWHCAADRBBHDKN-QGZVFWFLSA-N 417.889 3.492 0 40 HGAB COc1cc(-c2noc(-c3nn(-c4cccc(F)c4)ccc3=O)n2)cc(OC)c1OC 33300445 SWEJKBDAKFGJMX-UHFFFAOYSA-N 424.388 3.114 0 40 HGAB COc1cccc(OC)c1NC(=O)CSc1nnc2c3ccccc3n(C)c2n1 35292004 YVZGCVBOYSPJRV-UHFFFAOYSA-N 409.471 3.265 0 40 HGAB CCOc1ccc2nc(Cl)c(CN(CCOC)C(=O)N3CCOCC3)cc2c1 35315538 ZAKADMULEXWMIZ-UHFFFAOYSA-N 407.898 3.188 0 40 HGAB c1cc2c(cc1-n1nnnc1C1(N3CCCC3)C3CC4CC(C3)CC1C4)OCCO2 35622363 MWCLRLHCMIQFPL-UHFFFAOYSA-N 407.518 3.181 0 40 HGAB CSCC[C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1)C(=O)Nc1cc(C)cc(C)c1 36550917 PDJBLAWXIUPELH-RTWAWAEBSA-N 411.571 3.194 0 40 HGAB CCn1ccc(-c2cc(C(=O)N[C@@H](C)Cn3nc(C)cc3C)c3c(C)noc3n2)n1 36617973 YUGQICDPMDJDEA-ZDUSSCGKSA-N 407.478 3.046 0 40 HGAB Cc1ccc(NC(=O)CS[C@H](C)C(=O)N(C)C[C@H]2COc3ccccc3O2)cc1 36752009 QZPQQDJISSUQJB-AEFFLSMTSA-N 414.527 3.354 0 40 HGAB CN(CCOc1ccccc1F)C(=O)Nc1cccc(S(=O)(=O)NC(C)(C)C)c1 40104031 IRFWTJKMWCDOIZ-UHFFFAOYSA-N 423.510 3.445 0 40 HGAB COc1cc(OC)cc(C(=O)N2CCC(C(=O)Nc3ccc(N(C)C)cc3)CC2)c1 40128151 RRZHOQNGGKXYGY-UHFFFAOYSA-N 411.502 3.261 0 40 HGAB C[C@H](Oc1ccc(C(=O)NCc2ccc(N3CCOCC3)nc2)cn1)c1ccccc1 40132329 NHHHMUJBIUYTII-SFHVURJKSA-N 418.497 3.383 0 40 HGAB COc1ccc(-c2nnc3sc(NC(=O)COc4ccc(C)c(C)c4)nn23)cc1 41076476 GQOOUWWYQJSFBX-UHFFFAOYSA-N 409.471 3.496 0 40 HGAB Cc1ccc([C@H](C)NC(=O)[C@@H]2CCN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cc1 44933590 WNHRPCBJQPFOIV-LIRRHRJNSA-N 422.934 3.443 0 40 HGAB COC(=O)c1ccc(Cl)c(Cc2noc(C(=O)NCc3ccccc3OC)n2)c1 49544957 CSTVFZPZRZTHHZ-UHFFFAOYSA-N 415.833 3.039 0 40 HGAB COC(=O)Cn1c2c(sc1=O)[C@H](c1ccccc1OC)CC(=O)N2c1ccccc1 49548360 KVDMFEOJVURMGL-INIZCTEOSA-N 424.478 3.292 0 40 HGAB CCOC(=O)Cn1ncc2ccc(NC(=O)c3ccc4c(c3)NC(=O)[C@@H](C)S4)cc21 58115393 LUYKZQCDNBNHCO-GFCCVEGCSA-N 424.482 3.284 0 40 HGAB CC(C)COC(=O)N1CCCN(C(=O)c2ccc(CSc3ncn[nH]3)cc2)CC1 58174569 PGYQJKYLKIRWBA-UHFFFAOYSA-N 417.535 3.038 0 40 HGAB CS(=O)(=O)c1nc(C(=O)N[C@@H](c2ccc(Cl)cc2)C2CC2)c2ccccn12 65521387 NJQLWDHZTODUSL-MRXNPFEDSA-N 403.891 3.272 0 40 HGAB Cc1ccccc1-n1ccnc1SCC(=O)N1CCNC(=O)C[C@H]1c1ccccc1 65553049 NIFWHBKPHPTODA-FQEVSTJZSA-N 420.538 3.363 0 40 HGAB Cc1ccc(Cl)cc1NC(=O)Cn1ccn(-c2cc(F)ccc2C)c(=O)c1=O 67320294 KRJIERNYZLZERT-UHFFFAOYSA-N 401.825 3.047 0 40 HGAB CN(CCCNC(=O)CN(C[C@H]1CCCO1)C(=O)OC(C)(C)C)c1ccccc1 78878017 OCOGFBCIQGVOLP-LJQANCHMSA-N 405.539 3.045 0 40 HGAB CC(=O)N[C@@](C)(C(=O)OCc1cnn(Cc2ccc(Br)cc2)c1)C1CC1 78988969 IGFXKKQVODNROE-LJQANCHMSA-N 420.307 3.042 0 40 HGAB Cc1cnc2c(S(=O)(=O)NC[C@@H](C)N3CCN(c4ccccc4)CC3)cccc2c1 84129533 GSEXEZNQSGSTFS-LJQANCHMSA-N 424.570 3.032 0 40 HGAB CC(C)(C)OC(=O)NCC(=O)NCCCOc1ncc(C(F)(F)F)cc1Cl 89662498 ZAUZEKWUQWOFRT-UHFFFAOYSA-N 411.808 3.164 0 40 HGAB NC(=O)[C@@H]1CCN(C(=O)c2csc(COc3ccc(F)cc3)n2)c2ccccc21 95444179 GQYKTVWXXMYLJU-MRXNPFEDSA-N 411.458 3.481 0 40 HGAB CCNC(=O)COc1ccc(/C=C2/N=C(c3cccc(Cl)c3)OC2=O)cc1OC 96635014 FMPMVAJYNMLKAL-CXUHLZMHSA-N 414.845 3.208 0 40 HGAB O=c1[nH]c2cc3c(cc2c(-c2ccc(Cl)cc2)c1CN1CCOCC1)OCCO3 98086849 PLTKFVAHVFTDBS-UHFFFAOYSA-N 412.873 3.452 0 40 HGAB CC(=O)c1ccc(NC(=O)[C@@H](C)N2CCC[C@H](C(=O)Nc3ncccc3C)C2)cc1 106922167 RMBLWEPAHMYJCR-APWZRJJASA-N 408.502 3.270 0 40 HGAB COc1ccc(NC(=O)c2ccc(N3C(=O)[C@H]4[C@H]5CC[C@@H](C5)[C@@H]4C3=O)cc2)c(OC)c1 165718413 DDAKUGPIUGYHBH-PBFVBANWSA-N 420.465 3.492 0 40 HGAB CCOC(=O)C1(C(=O)OCC)[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 218045993 CWXSCVMIKQBMPY-MOPGFXCFSA-N 416.495 3.047 0 40 HGAB COCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(OC)cc1 223021773 JHKUWMHQNWRDQV-NHCUHLMSSA-N 408.527 3.500 0 40 HGAB CN(C)CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccccn1 223212312 OHHHFYAQOIDZFC-RTWAWAEBSA-N 406.559 3.192 0 40 HGAB Cc1ccc(C(=O)NCCOc2cccc3ccccc23)cc1N(C)S(C)(=O)=O 223568705 PPHNJDDNBHIVMH-UHFFFAOYSA-N 412.511 3.353 0 40 HGAB COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(O)cc1 223698614 RDUAIUCDRJWCCE-RTWAWAEBSA-N 422.510 3.114 0 40 HGAB O=C(Cn1ccc2ccccc21)NC1CCN(c2cc(C(F)(F)F)ncn2)CC1 225723214 GNOBTCQHUINFKY-UHFFFAOYSA-N 403.408 3.235 0 40 HGAB COc1cccc(N(CCCC(=O)N[C@H](C)c2ccccc2C)S(C)(=O)=O)c1 260772582 ZKIIQVPVCWBTHZ-QGZVFWFLSA-N 404.532 3.427 0 40 HGAB CC(C)NC(=O)N1C[C@H]2CC[C@@H](CNC(=O)Cc3ccccc3)N2Cc2ccccc21 306130024 IUGRHOYVPBIZPZ-FCHUYYIVSA-N 420.557 3.317 0 40 HGAB O=C1N(Cc2ccccc2)CCO[C@]12CN(Cc1ccco1)C[C@@H]2c1cccnc1 306142365 WXCGURHISQFEKK-VWNXMTODSA-N 403.482 3.072 0 40 HGAB Cc1cc(S(=O)(=O)N2CCCCC2)ccc1OCC(=O)NC1CCCCCC1 408563366 VNBDTJLDDDPICB-UHFFFAOYSA-N 408.564 3.387 0 40 HGAB O=C(CC[C@@H]1NC(=O)c2ccccc2NC1=O)N[C@@H]1CCCc2c1[nH]c1ccccc21 524734325 SYXZWPAMLQOXKR-UXHICEINSA-N 416.481 3.192 0 40 HGAB CNS(=O)(=O)c1cccc(-c2noc(C3(c4ccc(F)cc4F)CCC3)n2)c1 545700034 RFLLZQLZZKAQJI-UHFFFAOYSA-N 405.426 3.393 0 40 HGAB COc1ccc(Br)cc1S(=O)(=O)N1CC2(CCOCC2)[C@H]1C1CC1 549931313 AIBPLWNUJZLQMU-MRXNPFEDSA-N 416.337 3.037 0 40 HGAB CN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C1 583101743 NMODYCZPTHDFSF-LLVKDONJSA-N 413.849 3.247 0 40 HGAB FC(F)(F)c1cncc(CNC2(c3nc(C4CCOCC4)no3)CCOCC2)c1 585113995 IAYQUIWPNRFJPV-UHFFFAOYSA-N 412.412 3.173 0 40 HGAB Cc1ccc(C(=O)NC(=S)Nc2ccc(I)cn2)c(C)c1 1268752 NNKOFQDYMIGIEH-UHFFFAOYSA-N 411.268 3.430 0 40 HGAB Cc1ccc(S(=O)(=O)NCCCCCCNS(=O)(=O)c2ccc(C)cc2)cc1 1723284 QRIHRWAHTHQCQS-UHFFFAOYSA-N 424.588 3.121 0 40 HGAB Cc1cccc(O[C@@H](C)C(=O)N(Cc2ccccc2)[C@@H]2CCS(=O)(=O)C2)c1C 2337003 LBQLKJCVCZHZNJ-AZUAARDMSA-N 401.528 3.287 0 40 HGAB O=C(CSc1nnc2n(-c3ccccc3)c(=O)c3ccccc3n12)NC1CCCC1 3292601 ZNQFWNDQAHPACG-UHFFFAOYSA-N 419.510 3.184 0 40 HGAB O=C(COC(=O)CCNC(=O)c1ccccc1Cl)Nc1nc2ccccc2s1 3321479 IASLJKBLFDVICI-UHFFFAOYSA-N 417.874 3.252 0 40 HGAB Cc1ccc(N2C(=O)N(CC(=O)Nc3ccccc3OC(F)F)C(=O)[C@@H]2C)cc1 3353730 QLNYFOUCVAOSHP-ZDUSSCGKSA-N 403.385 3.392 0 40 HGAB CCc1ccc(-n2c(SCC(=O)NC[C@H]3CCCO3)nnc2-c2ccncc2)cc1 3426089 MTOKXSXMSZDWDM-LJQANCHMSA-N 423.542 3.279 0 40 HGAB COc1ccc(S(=O)(=O)NCCOc2ccc(C)cc2)cc1Br 3439127 BYOZLKGTCPCULO-UHFFFAOYSA-N 400.294 3.123 0 40 HGAB Nn1c(SCC(=O)Nc2ccccc2Br)nnc1-c1ccccc1F 3439145 CZBAJEWOINGZDG-UHFFFAOYSA-N 422.283 3.291 0 40 HGAB CCOc1ccccc1-n1nnnc1SCC(=O)N[C@H](C)CCc1ccccc1 3497074 ZJMKYUDMLFFFRK-MRXNPFEDSA-N 411.531 3.291 0 40 HGAB Cc1noc(C)c1COc1ccc(C(=O)OCC(=O)NCc2cccs2)cc1 3550144 VGMPARKKMGXGFY-UHFFFAOYSA-N 400.456 3.405 0 40 HGAB CCOC(=O)c1c(NC(=O)CSc2nncn2-c2ccccn2)sc(C)c1C 4127006 XVUXENBJNYNSPU-UHFFFAOYSA-N 417.516 3.248 0 40 HGAB O=C(O)c1ccc(NC(=O)c2cccc(N3C(=O)[C@H]4[C@H]5CC[C@H](C5)[C@H]4C3=O)c2)cc1 4592928 MZSOWYXXYVLMAT-SLDRDFCHSA-N 404.422 3.173 0 40 HGAB O=c1[nH]cc(-c2ccncc2)cc1NS(=O)(=O)c1ccc(Br)cc1 4623525 GYJPPZWIAGTJNJ-UHFFFAOYSA-N 406.261 3.000 0 40 HGAB COC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(NC(=O)CC(C)C)c1 4711647 GFPMFUFYVLHEJY-UHFFFAOYSA-N 423.513 3.420 0 40 HGAB Cc1nn(Cc2noc(C(=O)N[C@@H](C)c3ccccc3)n2)c(C)c1Br 4726705 YNOQSZNDDNNOQS-JTQLQIEISA-N 404.268 3.185 0 40 HGAB Cc1ccc(NC(=O)CSc2nnc(COc3ccc4c(c3)OCO4)n2C)cc1 4783848 QJSZMCPHJLRVFK-UHFFFAOYSA-N 412.471 3.162 0 40 HGAB COc1cccc(CNCCSc2nnnn2C)c1OCc1ccc(Cl)cc1 4998049 QSZIUVXVQWVXOB-UHFFFAOYSA-N 419.938 3.333 0 40 HGAB CC(C)OCCCNC(=O)c1cc2c(=O)n3ccccc3nc2n1Cc1ccccc1 5203065 RTVZLMBSPZLNBZ-UHFFFAOYSA-N 418.497 3.242 0 40 HGAB Cc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@@H]3[C@H]3CCCN23)cc1 5243545 CEAHITVAIUOWIK-WTGUMLROSA-N 408.885 3.484 0 40 HGAB CCOc1ccccc1NC(=O)C(=O)Nc1ccc2c(c1)N(C(=O)C1CC1)CCC2 5252908 LPXKRDOHSUXBOS-UHFFFAOYSA-N 407.470 3.352 0 40 HGAB C[C@H](OC(=O)C1CCN(C(=O)Nc2ccccc2)CC1)C(=O)NC1CCCCC1 5970803 AYODZSUJGWGKRJ-INIZCTEOSA-N 401.507 3.311 0 40 HGAB CC[C@@H](C(=O)Nc1nnc(S(=O)(=O)N(C)c2ccccc2)s1)c1ccccc1 6818291 XENQPYGPMKCTTC-MRXNPFEDSA-N 416.528 3.496 0 40 HGAB COc1ccc(NC(=O)COCc2cc(-c3ccc4c(c3)OCO4)on2)cc1OC 6876245 QSXMJUTWYYVGEW-UHFFFAOYSA-N 412.398 3.243 0 40 HGAB O=C(COc1ccc2c(c1)CCC2)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 6997869 DTUKJKZVYHGYLV-UHFFFAOYSA-N 414.527 3.367 0 40 HGAB COC(=O)c1ccc2c(=O)[nH]c(COC(=O)c3cc4c(s3)CC[C@@H](C)C4)nc2c1 7135379 DQDBVQGODMVQPQ-LLVKDONJSA-N 412.467 3.253 0 40 HGAB CN(C)S(=O)(=O)c1cccc(NC(=O)CNc2ccc(Cl)cc2Cl)c1 7972303 PHGNNFMNQBMMIP-UHFFFAOYSA-N 402.303 3.294 0 40 HGAB CSc1cccc(N2C[C@@H](C(=O)Nc3ccc(N4CCN(C)CC4)cc3)CC2=O)c1 7988830 TXSQXJHTURZQCC-KRWDZBQOSA-N 424.570 3.152 0 40 HGAB CCCCOc1ccc2nc(N[C@@](NC(C)=O)(C(=O)OC)C(F)(F)F)sc2c1 9087586 KEQIANABCXTKQE-INIZCTEOSA-N 419.425 3.455 0 40 HGAB Cn1c(COc2ccccc2)nnc1SCC(=O)Nc1cc(Cl)ccc1O 9328483 ZXURNOKQOKHKJR-UHFFFAOYSA-N 404.879 3.484 0 40 HGAB C[C@@H](Sc1ncnc2nc[nH]c12)C(=O)NCCc1c[nH]c2ccc(Cl)cc12 9421545 MODUELXDPWJJPS-SNVBAGLBSA-N 400.895 3.327 0 40 HGAB COC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2ccc(OC)c(Br)c2)c1C 9499414 MATUZYKPVOSKHU-UHFFFAOYSA-N 424.247 3.229 0 40 HGAB CN(C)C(=O)[C@@H](Sc1nnnn1-c1ccc(OC(F)(F)F)cc1)c1ccccc1 9534494 GBUMZUQUWBFQRR-HNNXBMFYSA-N 423.420 3.483 0 40 HGAB CN(C)S(=O)(=O)N(CC(=O)Nc1cc(Cl)ccc1Cl)c1ccc(F)cc1 9694874 ZPZOAHLVZMRECW-UHFFFAOYSA-N 420.293 3.384 0 40 HGAB COc1ccc(NC(=O)[C@@H](C)N(c2ccc(OC)c(Cl)c2)S(C)(=O)=O)cc1 10371726 OFJAFHDJIPOHCG-GFCCVEGCSA-N 412.895 3.150 0 40 HGAB CCc1c(C)nc2cc([C@@H]3CCCN(C(=O)CCc4c(C)noc4C)C3)nn2c1O 12134724 WSNJHYQLAYIYSU-MRXNPFEDSA-N 411.506 3.249 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)c2ccc(C)nc2)c1 12527055 ACVVCDGKYFYCNE-UHFFFAOYSA-N 416.547 3.273 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2ccc(Br)o2)s1 12734382 NYNLZXPXYOJTOR-UHFFFAOYSA-N 421.338 3.064 0 40 HGAB CCc1cccc(OCC(=O)N2CCN(Cc3nc(-c4ccc(C)cc4)no3)CC2)c1 12757169 LUMMLZOYEGKGOY-UHFFFAOYSA-N 420.513 3.331 0 40 HGAB O=C(C1CC1)N1CCN(CC(=O)N2c3ccccc3SC[C@@H]2c2ccccc2)CC1 12774947 LQISNRLWWLBBOB-OAQYLSRUSA-N 421.566 3.421 0 40 HGAB O=C(CCNS(=O)(=O)/C=C/c1ccccc1)Nc1cccc(Br)c1 12775197 VCPSZCDQAKAPBZ-ZRDIBKRKSA-N 409.305 3.368 0 40 HGAB C[C@H]1CN(C(=O)c2cccc(S(=O)(=O)Nc3ccccc3Cl)c2)C[C@@H](C)O1 12851056 XOPCLHJVZUKJRI-OKILXGFUSA-N 408.907 3.390 0 40 HGAB CNC(=O)c1ccc(CNC(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)cc1 12984802 SBYQOHUAGNIKES-IBGZPJMESA-N 414.575 3.380 0 40 HGAB CCOc1ccc(NC(=O)c2ccc(OC)c(S(=O)(=O)N(CC)CC)c2)cc1 13581407 FLUHNXMMKQDMBH-UHFFFAOYSA-N 406.504 3.377 0 40 HGAB CCOc1cccc(NC(=O)CN(c2cc(Cl)ccc2OC)S(C)(=O)=O)c1 13676152 SPDBNEWRXHNMEK-UHFFFAOYSA-N 412.895 3.152 0 40 HGAB CCOC(=O)[C@H](CCSC)NC(=O)[C@H](CSC(C)=O)Cc1ccccc1C 13890257 ZVQXPUMRSJGLSF-ROUUACIJSA-N 411.589 3.234 0 40 HGAB O=C(Cn1c(=O)n(Cc2ccc(F)cc2)c(=O)c2ccccc21)Nc1ccc(F)cc1 13992342 RVAXZFKDZUWDQG-UHFFFAOYSA-N 421.403 3.128 0 40 HGAB CC(=O)c1sc(NC(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)nc1-c1ccccc1 14658315 XPNIFURXMCMSAV-HUUCEWRRSA-N 411.483 3.126 0 40 HGAB COc1ccc([C@@H]2c3c(O)n[nH]c3C[C@](C)(O)[C@@H]2C(=O)Nc2ccccc2C)cc1 15080955 GSSMZDUIYCDSFR-RFWXGWTQSA-N 407.470 3.126 0 40 HGAB CC(=O)c1csc(NC(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)n1 15200523 YOTZACHIIMWVOX-UHFFFAOYSA-N 421.544 3.092 0 40 HGAB CCOc1cc(C(=O)Nc2ccc3c(c2)CCC3)ccc1OCC(=O)N1CCOCC1 15922716 RYMFDUDZDUUYEP-UHFFFAOYSA-N 424.497 3.064 0 40 HGAB COC(=O)c1sc(S(=O)(=O)Nc2ccc(Cl)cc2)c(C(=O)OC)c1C 16101359 XUOPVKHFMJHRDM-UHFFFAOYSA-N 403.865 3.084 0 40 HGAB COc1ccc(OCCNCC(=O)N(C)Cc2ccccc2Br)cc1 16695479 HNUKSNNWWXZFBC-UHFFFAOYSA-N 407.308 3.085 0 40 HGAB Cc1ccc(C)c(Cn2c(=O)n(Cc3ccc4c(c3)OCO4)c(=O)c3ncccc32)c1 17026200 RHOOTSZUJKPONS-UHFFFAOYSA-N 415.449 3.000 0 40 HGAB Cc1cc(Br)cc(C)c1NC(=O)[C@H]1C[C@@H](O)CN1C(=O)OCC(C)C 18193978 RRWULTHAMIGOCI-HUUCEWRRSA-N 413.312 3.232 0 40 HGAB COc1cccc([C@@H](NS(=O)(=O)c2cnc(NC(C)=O)s2)c2ccccc2)c1 19022983 SQDRSAYMNPPIOK-SFHVURJKSA-N 417.512 3.178 0 40 HGAB CC(C)(C)C(=O)N1CCC[C@H]1c1cc2nc3c(c(O)n2n1)CN(C1CCCC1)CC3 19081317 JFELEIORKKRJFR-IBGZPJMESA-N 411.550 3.445 0 40 HGAB Cc1ccc(O[C@H](C)C(=O)N2CC[C@H](c3cc(=O)[nH]c(-c4ccccn4)n3)C2)cc1C 19214111 UIHUCPJPUIRQBR-MSOLQXFVSA-N 418.497 3.232 0 40 HGAB CCC(=O)N1CCO[C@](Cc2ccccc2-c2ccsc2)(C(=O)NC(C)C)C1 19499011 YCNQLYXLIHEHGY-QFIPXVFZSA-N 400.544 3.490 0 40 HGAB CCOc1cc(CN2CCc3c(nc(C(C)C)nc3N3CCOCC3)C2)ccc1O 19531870 KQINMNMQMNNWKL-UHFFFAOYSA-N 412.534 3.099 0 40 HGAB CNC(=O)c1cc([C@@H]2CN(C(=O)CCc3ccccc3)CCO2)nc2ccccc12 19754404 ROQKQADTIUZPFM-QFIPXVFZSA-N 403.482 3.127 0 40 HGAB CCOC(=O)[C@@H]1C(=O)N(CCCOC)c2nc3ccccc3n2[C@@H]1c1ccccc1C 19818451 HZVDMBJOQHTCBF-LEWJYISDSA-N 421.497 3.497 0 40 HGAB COC(=O)c1ccc([C@@H]2SCC(=O)N2CCc2ccc(OC)c(OC)c2)cc1 19898669 MXSPNMSJBFXPFP-FQEVSTJZSA-N 401.484 3.307 0 40 HGAB COC(=O)c1cc(NS(=O)(=O)c2ccc(N3CCCC3=O)c(C)c2)ccc1Cl 20456992 QJUYZMUKJWICIT-UHFFFAOYSA-N 422.890 3.363 0 40 HGAB CCOc1ccc(CN2CCN(C(=O)c3ccc(Cn4cccn4)cc3)CC2)cc1 21476698 KTJOTOFWSXDZLH-UHFFFAOYSA-N 404.514 3.288 0 40 HGAB Cc1cccc(OCCNC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)c1 21769561 BHUUSVBQEGOTTC-UHFFFAOYSA-N 416.543 3.287 0 40 HGAB Cc1cc(C)n2nc(C(=O)Nc3nc(C)c(Cc4ccc5c(c4)OCO5)s3)nc2n1 22918870 OIFSXZTWRMJIKW-UHFFFAOYSA-N 422.470 3.078 0 40 HGAB CCN(CC)C(=O)c1cccc(NC(=O)[C@@H]2CC(=O)N(CCc3ccccc3)C2)c1 23689437 KYHODJMHNMFADH-HXUWFJFHSA-N 407.514 3.198 0 40 HGAB O=C(c1ccc(Cl)cc1N1CCCC1=O)N1CCN(Cc2cccs2)CC1 23805506 CBNILBBYJPFONE-UHFFFAOYSA-N 403.935 3.486 0 40 HGAB CCN1CCN(c2ccc(NC(=O)CSc3nc(C4CCCC4)n[nH]3)cc2)CC1 25244547 LYCULWUXCVIASQ-UHFFFAOYSA-N 414.579 3.335 0 40 HGAB Cc1ccc(S(=O)(=O)NCCNC(=O)C(c2ccccc2)c2ccccc2)cc1 26105121 CYVDKDLIUYTAAA-UHFFFAOYSA-N 408.523 3.222 0 40 HGAB Cc1ccc(-c2noc([C@H](C)N3CCN([C@@H](C)C(=O)Nc4cc(C)no4)CC3)n2)cc1 26601173 LNRPYPOJAYMYJM-IRXDYDNUSA-N 424.505 3.047 0 40 HGAB CCCc1cc(=O)oc2cc(OCC(=O)Nc3nnc(COC)s3)c(Cl)cc12 31806841 GEQOTHGVRKOKGO-UHFFFAOYSA-N 423.878 3.414 0 40 HGAB COc1ccc(CC(=O)NC[C@H](c2ccccc2Cl)N2CCOCC2)cc1F 32375214 JJEAMXMTKHGMDU-LJQANCHMSA-N 406.885 3.220 0 40 HGAB CCCn1c(=O)[nH]c(=O)c2c(C(=O)NCC3(c4ccccc4)CC3)cc(C(C)C)nc21 32459027 APTNNSVHIPKJNI-UHFFFAOYSA-N 420.513 3.080 0 40 HGAB O=C(NCc1ccco1)c1nnsc1NC(=O)N1CCCC[C@H]1c1cccnc1 33436063 WNAQZYCMRUKQJI-HNNXBMFYSA-N 412.475 3.215 0 40 HGAB COC(=O)[C@@H](CC(C)C)NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc(Cl)cc1F 36569492 QEPFXWRSBNCYAF-AEFFLSMTSA-N 422.888 3.447 0 40 HGAB CCCN(Cc1nnc(-c2ccccc2)o1)S(=O)(=O)c1cn(C(F)F)nc1C 36615130 XJXBWTQEURXPCL-UHFFFAOYSA-N 411.434 3.238 0 40 HGAB CCN(CC(=O)Nc1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(F)cc1 39985746 SJELLLVQWWNZAR-UHFFFAOYSA-N 404.385 3.494 0 40 HGAB O=C(c1ccc(F)cc1)N1CCN(Cn2nc(-c3cccs3)[nH]c2=S)CC1 40071356 JBORAYVYWKRDCX-UHFFFAOYSA-N 403.508 3.224 0 40 HGAB CNC(=O)c1cccc(NC(=O)[C@@H]2CC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)c1 40130566 FDXGCKRHYXDPCI-OAHLLOKOSA-N 419.403 3.052 0 40 HGAB CC(C)c1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCC[C@H](C)C4)[nH]c(=O)c32)cc1 40388780 YKORAJWGZXCCHQ-YOEHRIQHSA-N 423.517 3.194 0 40 HGAB CN(C(=O)c1ccc(N2CCCC2=O)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 41616863 BDWYLXOXXVWNGZ-UHFFFAOYSA-N 401.507 3.285 0 40 HGAB COc1ccc(Nc2ncc([N+](=O)[O-])c(NC3CC3)n2)cc1OC[C@@H]1CCCO1 42099954 ATCFYMAAUGVXFK-AWEZNQCLSA-N 401.423 3.269 0 40 HGAB CCOC(=O)/C=C/c1ccc(NC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1 48342680 LJRRYHJRHAVEDU-DHZHZOJOSA-N 403.479 3.348 0 40 HGAB COc1cccc(-c2cc(C(=O)N3CC(c4nc(-c5cccs5)no4)C3)[nH]n2)c1 49483949 CWRFUPCNZORVNB-UHFFFAOYSA-N 407.455 3.436 0 40 HGAB O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)c1ccc(Br)s1 49958533 DREHKUFZSZSMER-AWEZNQCLSA-N 413.312 3.453 0 40 HGAB O=C(CN1CCN(c2ncccn2)CC1)N(Cc1ccc(F)cc1)C1CCCCC1 57756240 NOBZAJHAJMOUHN-UHFFFAOYSA-N 411.525 3.099 0 40 HGAB COC(=O)c1c(NC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)sc(C)c1C 58166987 INMKZCYTMYPWQY-UHFFFAOYSA-N 422.528 3.116 0 40 HGAB Cc1cc(S(=O)(=O)N(C)C)cc(NC(=O)c2cnc(-c3ccccc3)nc2)c1C 58366656 DPYJWUQPPDPZNL-UHFFFAOYSA-N 410.499 3.263 0 40 HGAB COCCCNC(=O)CSc1nc2sc(C)c(C)c2c(=O)n1-c1ccccc1 59109295 VRQANKYTBYAINU-UHFFFAOYSA-N 417.556 3.309 0 40 HGAB COc1ccccc1Nc1nnc(CC(=O)N2CCN(c3ccc(C)cc3)CC2)s1 62007199 JJVCEFOMCKNKGW-UHFFFAOYSA-N 423.542 3.490 0 40 HGAB CCc1cccc(NC(=O)CN2N=C(c3nc(-c4ccccc4)no3)CCC2=O)c1 71328264 IYVBVCUWXYYZCQ-UHFFFAOYSA-N 403.442 3.264 0 40 HGAB COc1ccc(CC(=O)N2CCC[C@@H](c3ccnc4nc(C(F)(F)F)nn34)C2)cc1 72334995 HUYDSLOUQZGTDP-CQSZACIVSA-N 419.407 3.100 0 40 HGAB CCCOc1cc(CNC(=O)c2cccc(S(=O)(=O)NC3CCCC3)c2)ccn1 89960285 HTAPUJYVIYENLS-UHFFFAOYSA-N 417.531 3.021 0 40 HGAB Cc1ccsc1CNC(=O)CN1CCN(C(=O)Nc2ccc(Cl)cc2)CC1 95459783 KBFHURFNDFLGQY-UHFFFAOYSA-N 406.939 3.176 0 40 HGAB O=C(C[C@@H]1CC2(CCN(Cc3ccncc3)CC2)c2ccccc21)N1CCOCC1 96052819 SUPOOBCHTHODBM-OAQYLSRUSA-N 405.542 3.352 0 40 HGAB CCCC(=O)N1CCC2(CC1)COc1ccccc1S(=O)(=O)N(CC(C)C)C2 96145148 HHZHRUHVMBUJIM-UHFFFAOYSA-N 408.564 3.135 0 40 HGAB COc1cccc(NC(=O)N2CCc3nc(C(=O)N4CCCC4)sc3CC2)c1 96147038 WYLOOQOHTDXTRG-UHFFFAOYSA-N 400.504 3.020 0 40 HGAB CC(C)n1cnc2c1[C@@H](C(=O)NCCc1cccc(F)c1)N(Cc1cccnc1)CC2 96147253 APPCVDCXJMJZIH-QHCPKHFHSA-N 421.520 3.456 0 40 HGAB COc1ccc([C@@H]2c3sc(=O)[nH]c3S[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]32)cc1 104101507 MSTJOPBPZBIPGP-ZOBUZTSGSA-N 424.503 3.241 0 40 HGAB aggregator O=C(N1CCN(S(=O)(=O)c2ccccc2)CC1)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2 105052024 IGHVCTUUPCCWTM-FBIZOPLVSA-N 422.978 3.097 0 40 HGAB CC(C)Oc1cccc(CNC(=O)[C@H](C)N(c2cccc(F)c2)S(C)(=O)=O)c1 113967773 QHGXPPYTLXHMFE-HNNXBMFYSA-N 408.495 3.084 0 40 HGAB C[C@H](c1ccccc1)N1C[C@H](C(=O)OCC(=O)Nc2ccccc2Cl)CC1=O 139141555 KQDOWCWGFAXLON-GDBMZVCRSA-N 400.862 3.431 0 40 HGAB CSc1cccc(N(CC(=O)N[C@H](C)COc2ccccc2C)S(C)(=O)=O)c1 220074911 JGOIZNABDYGWKR-MRXNPFEDSA-N 422.572 3.067 0 40 HGAB COc1ccc(OC)c(N([C@@H](C)C(=O)Nc2cccc(Cl)c2)S(C)(=O)=O)c1 220206841 BGHINOUXCQKJMV-LBPRGKRZSA-N 412.895 3.150 0 40 HGAB CNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CSCc1ccccc1C 222779538 PTPZWMNRFLUUJA-QGZVFWFLSA-N 400.544 3.400 0 40 HGAB Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)n1-c1cccnc1 223261198 HXLZQIONRSLRHY-NHCUHLMSSA-N 406.559 3.110 0 40 HGAB COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(C)n1-c1cccnc1 223683434 MGZZYJQCHDQEDD-NHCUHLMSSA-N 421.526 3.111 0 40 HGAB Cn1c(=O)sc2cc(S(=O)(=O)N[C@@H]3CC(C)(C)Oc4ccccc43)ccc21 225680785 OLZLMZLUFKFGLL-CQSZACIVSA-N 404.513 3.181 0 40 HGAB CCN(CC(=O)N(C)c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(OC)c(C)c1 226070738 CIHMRLCXHBVDNV-UHFFFAOYSA-N 404.532 3.294 0 40 HGAB Cc1cccnc1C(=O)N1CCC(COc2ccc(Cl)cc2)(CC(N)=O)CC1 257218425 DDCITNQPCCNMOR-UHFFFAOYSA-N 401.894 3.220 0 40 HGAB Cc1csc(Nc2cccc([C@H]3CN(S(=O)(=O)C4CCCC4)CCO3)n2)n1 257286729 PMTPGTPNYVIXGW-MRXNPFEDSA-N 408.549 3.236 0 40 HGAB C[C@H]1CCCCN1CCNC(=O)[C@H]1C[C@H]2CC[C@@]1(C)C[C@]21NC(=O)c2ccccc2N1 257294285 QTKGBJSIUXKRNT-SYDKBIBESA-N 424.589 3.355 0 40 HGAB Cc1nc([C@@H]2CCN(C(=O)CCc3ccccc3)C2)nc(C)c1CC(=O)N1CCCC1 257318569 VOMPJXMMOSDPOR-OAQYLSRUSA-N 420.557 3.207 0 40 HGAB CCN(c1ccc(C(=O)N[C@H](C)COc2ccc(C)cc2)cc1)S(=O)(=O)CC 260508112 PSKOYWBNAMRJAZ-QGZVFWFLSA-N 404.532 3.368 0 40 HGAB Cc1ccsc1CN1C[C@H]2Cn3c(nnc3C(=O)Nc3cccc(F)c3)C[C@H]2C1 306138938 SLDIFKOWBQPBHO-GJZGRUSLSA-N 411.506 3.344 0 40 HGAB CCC[C@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(OCC)c(Cl)c2)C1 408617395 CUCKPOGMAGXJDZ-GJZGRUSLSA-N 416.971 3.444 0 40 HGAB CCCCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(OCC)c(Cl)c2)C1 408620262 IZINKLRYMBEOSJ-HNNXBMFYSA-N 416.971 3.446 0 40 HGAB COC[C@H](C)NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(SC)cc1 408630003 MAZFBOLPBBTNQH-INIZCTEOSA-N 422.572 3.063 0 40 HGAB COc1ccc(NC(=O)c2ccccc2N2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)c(OC)c1 408674117 XMONYLZSVZIQMT-BMHXQBNDSA-N 420.465 3.492 0 40 HGAB COc1cccc([C@H]2CC(=O)N=C3N=CNN32)c1OCc1c(F)cccc1Cl 409372097 XZJWEPJIJCQLQA-OAHLLOKOSA-N 402.813 3.243 0 40 HGAB COc1ccc(CCNC(=O)N[C@H]2CCc3cc(OC)c(OC)cc32)cc1OC 524733506 PLCBQVPXYABIQU-KRWDZBQOSA-N 400.475 3.250 0 40 HGAB CN(C)[C@H](CNS(=O)(=O)c1cccc2nsnc12)c1cc2ccccc2o1 575619405 DRIIFOWIJRXYCS-CQSZACIVSA-N 402.501 3.019 0 40 HGAB O=C1c2ccccc2CN1CC(=O)N1CCCC2=C[C@H]3C[C@@H](CN4CCCC[C@@H]34)[C@H]21 583647651 YANKGUFDQNGLKJ-QDNNMPSSSA-N 405.542 3.064 0 40 HGAB biogenic COCCN(C)CCNC(=O)c1cc(-c2ccccc2C)nc2c1cnn2C(C)C 588933778 LSOUEMSSLAGQQU-UHFFFAOYSA-N 409.534 3.296 0 40 HGAB CCCn1nc(C)c(C(=O)N[C@@H](C)[C@@H](C)NC(=O)c2c(C)nn(CCC)c2C)c1C 683364183 STGZZZGLMMHJCW-OKILXGFUSA-N 416.570 3.070 0 40 HGAB CCOc1ccc(-c2nnn(CC(=O)Nc3cc(C)ccc3OC)n2)cc1OCC 783246 AJOUCYXYTKHBAB-UHFFFAOYSA-N 411.462 3.093 0 40 HGAB Cc1ccc(NCc2nnc(SCC(=O)N3CCOCC3)n2-c2ccccc2)cc1 906741 QLQNVHOZUOQJMJ-UHFFFAOYSA-N 423.542 3.139 0 40 HGAB CCCn1c(SCC(=O)Nc2ccc3c(c2)OCCO3)nnc1-c1ccco1 1364385 KVKFNLHGJLIHJD-UHFFFAOYSA-N 400.460 3.450 0 40 HGAB CCOc1cccc2cc(C(N)=O)/c(=N/c3sc4c(c3C(N)=O)CCCC4)oc12 1506520 HEFNEXBOSNXURX-GFMRDNFCSA-N 411.483 3.202 0 40 HGAB COc1cccc(C(=O)NCC(=O)O[C@@H](C)C(=O)Nc2ccc3ccccc3c2)c1 2620337 VEKQRURFRMCUQG-HNNXBMFYSA-N 406.438 3.149 0 40 HGAB CCOc1ccc(C(=O)NCC(=O)OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1 3274706 CWXCMJKIZOJTOG-UHFFFAOYSA-N 424.375 3.016 0 40 HGAB NC(=O)c1c(NC(=O)COC(=O)/C=C/c2cccc(Cl)c2)sc2c1CCC2 3284317 MBLWAKINRVFRQX-BQYQJAHWSA-N 404.875 3.184 0 40 HGAB O=C(COC(=O)Cc1ccc(-c2ccccc2)cc1)NCc1ccc2c(c1)OCO2 3317511 SZAKIJUIUOBYQB-UHFFFAOYSA-N 403.434 3.484 0 40 HGAB Cc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)OCC(=O)NC(=O)NC1CCCCC1 3379121 IQRQMCCNXFYQBP-BUHFOSPRSA-N 424.501 3.204 0 40 HGAB O=C(c1ccco1)N1CCN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1 3662194 MIVLAVCVJVWBJV-UHFFFAOYSA-N 402.516 3.474 0 40 HGAB COc1ccc(CN(Cc2cccnc2)C(=S)NC[C@@H]2CCCO2)cc1OC 4126943 BDAOSMQIHNNFJY-SFHVURJKSA-N 401.532 3.155 0 40 HGAB COCCCn1c(SCC(=O)N[C@@H]2CCCC[C@@H]2C)nc2ccccc2c1=O 4160941 AEZYZLDUWSEESN-DOTOQJQBSA-N 403.548 3.220 0 40 HGAB O=C(C(=O)N1CCc2ccccc21)c1cn(CC(=O)N2CCCC2)c2ccccc12 4272098 VBIAYZORLYALJY-UHFFFAOYSA-N 401.466 3.036 0 40 HGAB COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NCCCCCC(=O)O)cc1 4535016 VYONVCDGRWSIPX-CAPFRKAQSA-N 410.470 3.227 0 40 HGAB CCC(C)(C)NC(=O)CN(Cc1ccccc1)C(=O)CCC(=O)Nc1nccs1 4848369 LJJZMGBXFSBWDN-UHFFFAOYSA-N 416.547 3.195 0 40 HGAB Cc1cccc(N(CC(=O)NCCSCc2ccccc2)S(C)(=O)=O)c1C 6728368 NOKREMPLNFGAKV-UHFFFAOYSA-N 406.573 3.119 0 40 HGAB Cc1ccc(O[C@H](C)C(=O)N(Cc2ccccc2F)[C@H]2CCS(=O)(=O)C2)cc1C 6811069 WXWRXNHWVLWEQU-MJGOQNOKSA-N 419.518 3.426 0 40 HGAB COCCCNC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1 6950845 UKSWIZOBUHDJMP-UHFFFAOYSA-N 400.479 3.318 0 40 HGAB COc1ccc(CCN(C)S(=O)(=O)c2ccc(Br)cc2)cc1OC 7377862 QLEJRWJFNRXQHE-UHFFFAOYSA-N 414.321 3.330 0 40 HGAB CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)Cc1coc(-c2cccs2)n1 7493788 DNISHGSCDICOKX-UHFFFAOYSA-N 412.515 3.310 0 40 HGAB Cn1c(=O)n(CCCc2ccccc2)c(=O)c2c1nc1n2CCCN1c1ccccc1 8642842 LTWYTEWYJBSWHA-UHFFFAOYSA-N 415.497 3.071 0 40 HGAB COc1ccc(Br)cc1CSc1ccc(S(=O)(=O)N(C)C)cn1 8709344 IBQHEKXDLFEVAT-UHFFFAOYSA-N 417.350 3.395 0 40 HGAB O=C(Cn1nnc(-c2cccs2)n1)Nc1ccc(-c2nnc3n2CCCCC3)cc1 8761913 WZTULMDKHBBJRW-UHFFFAOYSA-N 420.502 3.025 0 40 HGAB Cc1cc(=O)oc2c(C)c(Oc3ccc(S(=O)(=O)N4CCCC4)cn3)ccc12 9647098 IAEWJDSHPARAMG-UHFFFAOYSA-N 400.456 3.382 0 40 HGAB CN(C)S(=O)(=O)N(C)c1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 9694893 PBDFBOCFSPPDKR-UHFFFAOYSA-N 402.303 3.488 0 40 HGAB Cc1ccc(S(=O)(=O)NC[C@H](c2ccco2)S(=O)(=O)c2ccc(F)cc2)cc1 9740982 PAFFLNJBPYJUHQ-LJQANCHMSA-N 423.487 3.221 0 40 HGAB Cc1cc(C)c(OCC(=O)N2CCC(NS(=O)(=O)c3cccs3)CC2)c(C)c1 11449662 YFGCWUJTUFNTFE-UHFFFAOYSA-N 422.572 3.022 0 40 HGAB Cc1ccc(NC(=O)NCCOCCOCCNC(=O)Nc2ccc(C)cc2)cc1 11612332 CIUDLFONSNCDAN-UHFFFAOYSA-N 414.506 3.280 0 40 HGAB O=C(Nc1cc(-c2cccs2)nn1-c1nc2c(c(=O)[nH]1)CCCC2)c1ccco1 11855996 QZASXAYZFSDZPM-UHFFFAOYSA-N 407.455 3.408 0 40 HGAB Cc1cccc(N2C[C@@H](c3nc4ccccc4n3CC(=O)N3CCCC3)CC2=O)c1 12062031 XYXJBYDDYCLRMM-SFHVURJKSA-N 402.498 3.488 0 40 HGAB CCc1cc(C(F)(F)F)n2nc(C3CCN(C(=O)c4snnc4C)CC3)cc2n1 12160496 OENMPYPRVFNOSJ-UHFFFAOYSA-N 424.452 3.490 0 40 HGAB COc1ccc([C@H]2c3cccn3CCN2S(=O)(=O)c2ccc(F)cc2)cc1OC 12361618 GOKSMDQTCQMRBS-NRFANRHFSA-N 416.474 3.438 0 40 HGAB CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)c1ccc2[nH]nnc2c1 12550487 AUDQCYQFJLIYRZ-UHFFFAOYSA-N 411.771 3.341 0 40 HGAB CCOc1ccc(C(=O)Nc2nc(CN3C[C@@H](C)O[C@H](C)C3)cs2)cc1OC 12747157 DHTICGPZCBWSKK-ZIAGYGMSSA-N 405.520 3.412 0 40 HGAB C[C@@H](NCC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1)c1ccc2ccccc2c1 12904897 NYUTYECZKXFKIT-VGOFRKELSA-N 414.571 3.449 0 40 HGAB CCCN(Cn1nc(Nc2ccc(F)cc2)sc1=S)[C@@H]1CCS(=O)(=O)C1 12924432 IFVQRJDYVZFCKB-CQSZACIVSA-N 416.569 3.413 0 40 HGAB CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@@H]2COc3ccccc3C2)ccc1C 12973406 LWLOMVDVRKTOHA-KRWDZBQOSA-N 402.516 3.215 0 40 HGAB COc1ccc(-c2nnc(S[C@@H](C(=O)N3CCOCC3)c3ccccc3)n2C)cc1 13164177 YGYWNADDGHFVRN-LJQANCHMSA-N 424.526 3.183 0 40 HGAB COc1ccc(F)cc1S(=O)(=O)N(C)CC(=O)Nc1cccc(Cl)c1Cl 13580988 NQVYDFLZMLEQIC-UHFFFAOYSA-N 421.277 3.400 0 40 HGAB COc1ccc(N(C)S(C)(=O)=O)cc1C(=O)Nc1ccc(Br)cc1 13582852 YFESJEJCZWWOKP-UHFFFAOYSA-N 413.293 3.106 0 40 HGAB COc1ccc(OC[C@@H](C)NS(=O)(=O)c2ccc(Br)cc2)cc1 13671826 IUVQMSOBADXIJJ-GFCCVEGCSA-N 400.294 3.204 0 40 HGAB COc1cccc(CNC(=O)Cn2c(C)nc3c(sc4cccc(F)c43)c2=O)c1 16842272 USRAZSVJHYFHKZ-UHFFFAOYSA-N 411.458 3.384 0 40 HGAB C[C@@H](Cn1cc(Cl)cn1)C(=O)N1CCO[C@@H](c2cc3cc(F)ccc3cn2)C1 19457350 FUTNKKILFOBSMM-ORAYPTAESA-N 402.857 3.460 0 40 HGAB CCNC(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CCN(C(=O)c2cc[nH]n2)C1 19528989 GZINLUDIBHMLQV-QFIPXVFZSA-N 408.527 3.349 0 40 HGAB COc1ccc2c(c1)OC1(CCN(CC(=O)Nc3nc(C)c(C)s3)CC1)CC2=O 19560831 IFFNXHOXSXIFKS-UHFFFAOYSA-N 415.515 3.207 0 40 HGAB COc1cc(C)c(CN2CCC(O)(Cn3cnc4ccccc4c3=O)CC2)cc1C 19567258 CEUJYWZYYPFXDK-UHFFFAOYSA-N 407.514 3.049 0 40 HGAB CCOC1CCN(C(=O)c2ccc(C3CCN(C(=O)c4ccccn4)CC3)nc2)CC1 19708085 WJUGEOCFLDOQGX-UHFFFAOYSA-N 422.529 3.138 0 40 HGAB CCn1ccc(C(=O)Nc2cnn(CC(=O)Nc3cccc(C(F)(F)F)c3)c2)n1 19746192 UQBRZSYKROQBMN-UHFFFAOYSA-N 406.368 3.009 0 40 HGAB COC(=O)C1=C(C)N(c2ccccc2)C(=O)C[C@@H]1C(=O)Nc1ccc(OC)cc1OC 19819075 YZACVFKFEBHNPP-KRWDZBQOSA-N 424.453 3.142 0 40 HGAB CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 20459531 TVNIUDPCGIMDJU-HXUWFJFHSA-N 418.515 3.276 0 40 HGAB O=C(c1cccs1)N1CCC(C(=O)N2CCN(c3ccccc3F)CC2)CC1 20612655 ZMMHEDCRKGXRFY-UHFFFAOYSA-N 401.507 3.088 0 40 HGAB CSc1ccc(-c2c3c(nc4nc(N5CCOCC5)nc(N)c24)CCCC3=O)cc1 20673537 IEPSFHCWCVBPIG-UHFFFAOYSA-N 421.526 3.352 0 40 HGAB COCC(=O)N1CCCc2ccc(NS(=O)(=O)c3ccc4c(c3)CCCC4)cc21 21756818 QTJYPRDADJYMQY-UHFFFAOYSA-N 414.527 3.292 0 40 HGAB CCc1ccccc1N(CC(=O)NCCCc1ccccc1Cl)S(C)(=O)=O 22329801 XPOOJAUMRCCHBA-UHFFFAOYSA-N 408.951 3.417 0 40 HGAB CN(c1ccccc1)S(=O)(=O)c1ccc(-n2ncc(Cl)c(Cl)c2=O)cc1 22957219 UFIFYGCEYRBTDG-UHFFFAOYSA-N 410.282 3.364 0 40 HGAB O=C(c1cccc(C(F)(F)F)c1)N1CCN(Cc2ccc3c(c2)OCCO3)CC1 24178428 PFMLADAPNUJGKO-UHFFFAOYSA-N 406.404 3.435 0 40 HGAB CCOC(=O)N1CCN(C(=O)Cc2csc(-c3ccc(OCC)cc3)n2)CC1 30552810 UPTHWUSWGSYMSA-UHFFFAOYSA-N 403.504 3.052 0 40 HGAB CCCn1c(S[C@@H](C)c2nc(C(C)C)no2)nc2cc(S(N)(=O)=O)ccc21 31739449 YTZXTCUQFXHGQU-NSHDSACASA-N 409.537 3.453 0 40 HGAB O=C(COc1c(I)cc(Cl)c2cccnc12)N1CCC1 31790224 LZSPHOCBJJFAEI-UHFFFAOYSA-N 402.619 3.104 0 40 HGAB CC(=O)Nc1nc(C(=O)NC[C@H](c2c(F)cccc2Cl)N2CCCC2)cs1 31889913 JSZIQLFWAICWQB-OAHLLOKOSA-N 410.902 3.461 0 40 HGAB O=C(Cn1nnc(-c2cccc(F)c2)n1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 32572859 VMXSEQFRWWHXPD-GOSISDBHSA-N 423.448 3.004 0 40 HGAB CCN(CC(=O)N(C)C)C(=O)c1cc(-c2ccc(OC)c(OC)c2)nc2ccccc12 32921846 KLONIUMEUPVGGN-UHFFFAOYSA-N 421.497 3.469 0 40 HGAB COc1cccc(NC(=O)c2nnn(Cc3nc(-c4ccccc4)oc3C)c2N)c1 33291758 CCIWSWMQULCFGF-UHFFFAOYSA-N 404.430 3.133 0 40 HGAB COc1ccc(S(=O)(=O)N2CCN(Cc3csc4ccccc34)CC2)cc1 36014865 GRZPITXZFSYOPY-UHFFFAOYSA-N 402.541 3.416 0 40 HGAB COc1cccc(-c2csc(N3CCN(CC(=O)NCc4ccccc4)CC3)n2)c1 36235016 HEOLXQIMWAXQFR-UHFFFAOYSA-N 422.554 3.257 0 40 HGAB Cc1ccc([C@H]2C[C@@H](c3ccccc3)N3NC(NC(=O)CCCC(=O)O)=NC3=N2)cc1 38161728 QFBRPESVYFHLCU-MOPGFXCFSA-N 419.485 3.084 0 40 HGAB CCCCNC(=O)c1ccccc1NC(=O)c1ccc(NS(C)(=O)=O)c(Cl)c1 38773015 LAOBXLXSEJVPMR-UHFFFAOYSA-N 423.922 3.494 0 40 HGAB Cc1nccc(-c2ccc(NC(=O)c3ccc4c(c3)CCN4S(C)(=O)=O)cc2)n1 40082718 VXZWVNDHONUFSQ-UHFFFAOYSA-N 408.483 3.026 0 40 HGAB O=C(CN1CCN(c2ccc(F)cc2)CC1)N1CCc2[nH]c3ccc(F)cc3c2C1 57058652 YZOGLQPXNUHNGQ-UHFFFAOYSA-N 410.468 3.153 0 40 HGAB Cc1nc(N2CCN(CC(=O)NC(C)C)CC2)c2c(-c3cccs3)csc2n1 57156151 PNXPNGDTKNXXAQ-UHFFFAOYSA-N 415.588 3.375 0 40 HGAB Cc1ccc(Oc2ccc(NC(=O)C3CCN(S(C)(=O)=O)CC3)cn2)cc1C 58162445 APUHYTXXDXULQH-UHFFFAOYSA-N 403.504 3.101 0 40 HGAB O=C(CCc1nc(-c2cc3ccccc3[nH]c2=O)no1)NCc1ccccc1Cl 64790051 IQCVXRPCSFRPSZ-UHFFFAOYSA-N 408.845 3.481 0 40 HGAB Cc1cc(C)c(NC(=O)Cn2c(-c3ccccc3)nc(C)c(CCO)c2=O)c(C)c1 67300230 XTCFTUOSBGNOFV-UHFFFAOYSA-N 405.498 3.317 0 40 HGAB O=C(CN1CCO[C@@H](c2ccccc2)C1)N1c2ccccc2NC(=O)C12CCCC2 69924967 RDPDZJJDDXPOBC-OAQYLSRUSA-N 405.498 3.358 0 40 HGAB C[C@@H](NC(=O)N1CCN(c2ccccn2)CC1)C(=O)Nc1cccc2ccccc12 71335676 SOOOZOJAWALLPH-QGZVFWFLSA-N 403.486 3.094 0 40 HGAB COC(=O)[C@H](C)[C@@H](NCC(=O)NCCc1nc2ccccc2s1)c1ccccc1 79025864 NKRXCDKUDXPWOC-QVKFZJNVSA-N 411.527 3.095 0 40 HGAB O=C(Cc1ccc(OC(F)(F)F)cc1)NC[C@H]1CC(=O)N(CCc2ccccc2)C1 79056427 ZYOGOKHGLKSQTM-GOSISDBHSA-N 420.431 3.335 0 40 HGAB COc1cccc(/C=C/C(=O)N2CC(=O)Nc3cc(Br)ccc32)c1OC 89471460 MAUSFOARNUEKDK-RMKNXTFCSA-N 417.259 3.465 0 40 HGAB CC[C@H](NC(=O)[C@@H](C)N(c1ccccc1F)S(C)(=O)=O)c1ccc(OC)cc1 113957547 BHODDQWWPLRKNK-KDOFPFPSSA-N 408.495 3.256 0 40 HGAB Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)NC[C@H]3CCCO3)c2)cc1 216404198 CQYBBTVZBNPJPM-OAHLLOKOSA-N 408.907 3.358 0 40 HGAB CCOc1ccc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1 219755427 SZUJZMYVYMBSRV-IBGZPJMESA-N 422.934 3.208 0 40 HGAB CNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN1C(=O)c2cccc3cccc1c23 222896833 WWLJNOFUCQWNOO-QGZVFWFLSA-N 415.493 3.006 0 40 HGAB Cc1ccc(OCCNC(=O)CN(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1C 223679717 BUGFBQCCHCGSKJ-UHFFFAOYSA-N 424.950 3.226 0 40 HGAB CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)OC)c2)c(C)c1 223832384 RETMGEOGSRPUPA-UHFFFAOYSA-N 411.863 3.413 0 40 HGAB Cc1ccccc1OCCNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl 224103658 YJSAGSWPFASLBK-UHFFFAOYSA-N 422.934 3.242 0 40 HGAB COc1ccc(S(=O)(=O)N(C)c2ccc3c(c2)OCCO3)cc1Br 224884246 XSNDAFNNOWYSBZ-UHFFFAOYSA-N 414.277 3.054 0 40 HGAB COc1cc(NC(=O)COc2ccc(Br)cc2)cc2sc(NN)nc12 226313466 SQIUBAIJFFBPHF-UHFFFAOYSA-N 423.292 3.371 0 40 HGAB COc1ccc(CNC(=O)[C@@H]2[C@@H]3CC[C@]4(CC(=O)c5ccccc5O4)[C@H]32)cc1OC 247893353 NJSSWXZFUOZIBC-IFONEHGPSA-N 407.466 3.380 0 40 HGAB Cc1cnc(C(=O)N2CCO[C@@H](c3cc(Nc4cccc(C)n4)cc(C)n3)C2)cn1 257242471 ICSDPQDAYBAXRH-HXUWFJFHSA-N 404.474 3.149 0 40 HGAB c1cc2c(cc1CN1CCC[C@H](c3nc4ccc(N5CCCC5)cn4n3)C1)OCO2 306127947 GLKKWTBSKHUKNH-SFHVURJKSA-N 405.502 3.438 0 40 HGAB COc1ccc(C(=O)NC(=S)Nc2ccc(NC(=O)C(C)C)cc2)cc1OC 408626363 GUGMRXNWGKWKQP-UHFFFAOYSA-N 401.488 3.425 0 40 HGAB O=C(Nc1ccc2sc(C(=O)N3CCOCC3)cc2c1)c1ccc2c(c1)OCCO2 408713272 QZEPZCCCKOQCCH-UHFFFAOYSA-N 424.478 3.397 0 40 HGAB O=C(CN1C(=O)S/C(=C/c2cccs2)C1=O)Nc1ccc2c(c1)OCCO2 409196987 ZAFCUJXZINXFSX-OQLLNIDSSA-N 402.453 3.194 0 40 HGAB CCCNC(=O)CN1C(=O)S/C(=C\c2ccc(OC)c(Br)c2)C1=O 409201435 MTDNYESIPOYXJN-JYRVWZFOSA-N 413.293 3.020 0 40 HGAB CCOc1ccc(C(=O)N(C)C)cc1NC(=O)c1ccc(OC)c(-c2ccnn2C)c1 508309780 MSOLWSZOLPHJRQ-UHFFFAOYSA-N 422.485 3.449 0 40 HGAB COc1cc2c(cc1OC)[C@@H](CC(=O)O)N(C(=O)c1cccc3c1ccn3C)CC2 571501136 ACAIOSQAEAUJLZ-LJQANCHMSA-N 408.454 3.410 0 40 HGAB Cc1nc(N2CCC(Nc3ncc(Br)cn3)CC2)cc(C(F)(F)F)n1 575615636 FWUQECYJEIDMPD-UHFFFAOYSA-N 417.233 3.437 0 40 HGAB Cn1cnc([C@H]2C[C@]3(CCCN(CC4CC4)C3=O)CN2C(=O)Cc2cccc(F)c2)c1 585106397 AAJJVECZAFGUIZ-ZJSXRUAMSA-N 424.520 3.094 0 40 HGAB COc1ccc(OC)c(Nc2nc(-c3ccc(NS(C)(=O)=O)cc3)cs2)c1 589631851 POZVADNOCZHVMB-UHFFFAOYSA-N 405.501 3.942 0 40 HGAB CSCC[C@H](NC(=O)c1ccco1)C(=O)Nc1nc(-c2cccnc2)cs1 619744201 GNRAWSRMPVABNK-ZDUSSCGKSA-N 402.501 3.288 0 40 HGAB COCCN1CCN(C2=NCCCCCOc3ccccc3Oc3ncccc32)CC1 1615140166 UVJQZCXFQIFAOP-UHFFFAOYSA-N 424.545 3.447 0 40 HGAB Cc1nc2c(c(N3C[C@@H]4CN(C(=O)c5ccc(COC(C)C)o5)C[C@H]4C3)n1)CCC2 1888882274 PWXMULDEKLYBJE-IAGOWNOFSA-N 410.518 3.000 0 40 HGAB Cc1ccc(N(C[C@@H](O)CN2CCC(C)CC2)S(=O)(=O)c2ccccc2)cc1 787217 VMXFBFCOTLUTJQ-NRFANRHFSA-N 402.560 3.283 0 40 HGAB Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccncc2)c2ccccc2F)cc1 869474 OWCQRTVWNMLPGI-UHFFFAOYSA-N 413.474 3.041 0 40 HGAB O=C(CSc1nnc(Cc2ccccc2)n1C1CCCCC1)N1CCOCC1 977034 MLMMXRSASLLZCQ-UHFFFAOYSA-N 400.548 3.325 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCc3cccc(C)c3)C2)cc1 1361879 KDIRMGGLVSRXCQ-FQEVSTJZSA-N 400.544 3.063 0 40 HGAB Cc1ccc(NC(=O)COC(=O)[C@@H](CC(C)C)N2C(=O)c3ccccc3C2=O)c(C)c1 1916967 NHRZFDGHGXVECV-HXUWFJFHSA-N 422.481 3.496 0 40 HGAB CCOC(=O)CCCNC(=O)COc1ncnc2scc(-c3ccc(F)cc3)c12 2639955 OIIHUXOYYALQLJ-UHFFFAOYSA-N 417.462 3.336 0 40 HGAB CCn1cc(C(=O)OCC(=O)Nc2ccccc2SC)c(=O)c2ccc(C)nc21 3252412 BSBWLWDCPAJNDU-UHFFFAOYSA-N 411.483 3.242 0 40 HGAB COc1ccccc1OCCC(=O)OCC(=O)Nc1cccc(Br)c1 3272691 LZZCLHGJFGNTPO-UHFFFAOYSA-N 408.248 3.409 0 40 HGAB CC(C)(C)OC(=O)[C@H]1[C@@H](c2cccc(O)c2)[C@@H](C(=O)OC(C)(C)C)C(=O)C[C@@]1(C)O 4112459 AGQCMGOCQVNZSM-VOLVWJTLSA-N 420.502 3.115 0 40 HGAB COCCn1c(SCC(=O)Nc2ccccc2)nc2sc(C)c(C)c2c1=O 4188113 YSUXKLXGZMOCST-UHFFFAOYSA-N 403.529 3.452 0 40 HGAB CCCCCn1c(=O)c2c(nc3n(-c4ccccc4OCC)c(C)c(C)n23)n(C)c1=O 4370533 JGYJUKVKEFMYOE-UHFFFAOYSA-N 423.517 3.344 0 40 HGAB O=c1cccc2n1C[C@H]1C[C@@H]2CN(c2ncnc3c2cnn3-c2ccc(Cl)cc2)C1 4553925 FGHUAHMBZBDDOQ-LSDHHAIUSA-N 418.888 3.254 0 40 HGAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)OCC(=O)NC(=O)NC(C)(C)C 4871137 FGWDNXQXGSVGDB-UHFFFAOYSA-N 411.817 3.224 0 40 HGAB CN1CCN(c2ccc(-c3cccc(NC(=O)Cc4ccc(F)cc4)c3)nn2)CC1 5259162 NUFRICVVOPCXKA-UHFFFAOYSA-N 405.477 3.216 0 40 HGAB CCOc1ccccc1C(=O)N(Cc1ccc(CC)cc1)[C@@H]1CCS(=O)(=O)C1 5562828 NXCDGCQBTIWPIF-LJQANCHMSA-N 401.528 3.477 0 40 HGAB O=C(COC(=O)C1CCC(N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@@H]3C2=O)CC1)c1ccccc1 5870819 PQWUGLKIHZZQEC-MVXPTLASSA-N 409.482 3.002 0 40 HGAB COc1cc(-c2nc(C(=O)NCCO)cc3c2[nH]c2ccccc23)cc(OC)c1OC 5958539 ZHVOYMKGYNSRLP-UHFFFAOYSA-N 421.453 3.131 0 40 HGAB biogenic COc1cc(C(=O)Nc2ccc(Cl)cc2C)ccc1OCC(=O)N1CCOCC1 6215401 DOKLDSSARJUGPE-UHFFFAOYSA-N 418.877 3.147 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)Nc1ccccc1)n2C 6907824 OSSBBYVQSCXRCF-UHFFFAOYSA-N 414.531 3.175 0 40 HGAB O=C(CSc1nnc(-c2cccs2)o1)N1CCN(c2ccccc2F)CC1 7485824 KGWRVVCEEBCPSL-UHFFFAOYSA-N 404.492 3.378 0 40 HGAB C[C@@H](NCc1cccs1)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 7780423 XYSVEYIZQRITKE-OAHLLOKOSA-N 407.561 3.040 0 40 HGAB Cc1ccc(NC(=O)COC(=O)CCS(=O)(=O)c2ccc3ccccc3c2)cc1 7940029 XROORGONZHJNEK-UHFFFAOYSA-N 411.479 3.494 0 40 HGAB O=C(CSc1nnc(-c2ccncc2)n1C1CCCCC1)Nc1nncs1 8298012 ZLVDHOLUOFMNEC-UHFFFAOYSA-N 401.521 3.428 0 40 HGAB CCOc1cc([C@@H]2N=C(Nc3ccc(F)cc3)Nc3nc(C)cc(=O)n32)ccc1O 8570267 MWKZBZDWLOANKB-LJQANCHMSA-N 409.421 3.236 0 40 HGAB COc1ccccc1[C@@H](C)NC(=O)CCNC(=O)c1ccc(Br)cc1 8704535 PUAZYZUXZBBDKL-CYBMUJFWSA-N 405.292 3.455 0 40 HGAB CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@H]2COc3ccccc3O2)ccc1Cl 9545461 YVVRZJVUEJLZEE-QGZVFWFLSA-N 424.906 3.149 0 40 HGAB CCCCc1ccc(-n2nnnc2S[C@H](C(=O)NC(=O)NC)c2ccccc2)cc1 9603436 IJUIYAUPDYNWKG-SFHVURJKSA-N 424.530 3.294 0 40 HGAB COc1ccc(C2(c3ccc(OC)cc3)NC(=O)N(Cc3c(C)noc3C)C2=O)cc1 9882615 PNRCDSGJCPPQNV-UHFFFAOYSA-N 421.453 3.304 0 40 HGAB CCOC(=O)[C@H]1[C@@H](c2cccc(Oc3ccccc3)c2)NC(=O)N[C@@]1(O)C(F)(F)F 11859185 CCXMQQIZYMCWSJ-MDZRGWNJSA-N 424.375 3.263 0 40 HGAB c1ccc(-c2cnc(N3CCN(c4ncccn4)CC3)nc2-c2cccs2)nc1 12251483 UCLXEWDHGXZHMC-UHFFFAOYSA-N 401.499 3.384 0 40 HGAB COCCn1c(C)c(C)c(S(=O)(=O)c2ccc(C)cc2)c1NC(=O)[C@H]1CCCO1 12390817 RZLHRCSLRJXLDT-GOSISDBHSA-N 420.531 3.010 0 40 HGAB CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)N1CCN(c2ccccc2F)CC1 12550754 BGOQXAMYRSQFDX-FQEVSTJZSA-N 401.457 3.068 0 40 HGAB COc1ccc(N2C(=O)c3ccccc3N(C)[C@@H]2c2ccc(OCC(N)=O)cc2)cc1 12561424 JHNUTLNPXFSXRR-QHCPKHFHSA-N 417.465 3.355 0 40 HGAB Cc1ccc(NC(=O)Cn2nc(-c3ccc(F)cc3)oc2=O)c(Br)c1 12771761 FTYBAPLUFRIBDS-UHFFFAOYSA-N 406.211 3.352 0 40 HGAB CSCC[C@@H](NC(=O)COc1ccccc1)C(=O)N1CCC[C@@H](C(F)(F)F)C1 12974476 DTULPOYLPDWUFC-GDBMZVCRSA-N 418.481 3.104 0 40 HGAB C[C@@H]1CCN(C(=O)CN2CCN(C(=O)c3ccccc3)CC2)c2ccccc2S1 13074070 ZLJWKPPJUUISLO-GOSISDBHSA-N 409.555 3.362 0 40 HGAB CC(C)c1ccc(NC(=O)c2nn([C@H]3CCS(=O)(=O)C3)c3c2CCCC3)cc1 13719258 MFCDFQBBKZDKRE-KRWDZBQOSA-N 401.532 3.497 0 40 HGAB CCCN(C(=O)/C=C/c1ccc(C)cc1Br)[C@H]1CCS(=O)(=O)C1 14245367 BUYNDYHLTCGARV-LFAOLKIESA-N 400.338 3.196 0 40 HGAB Cc1cc(Br)ccc1NC(=O)CN(C)[C@@H](C)C(=O)NCc1cccs1 14922361 JZTNARWIBQFLRL-ZDUSSCGKSA-N 424.364 3.394 0 40 HGAB O=C(CCNC(=O)c1ccc(Cl)cc1)NC[C@@H](c1ccco1)N1CCCCC1 15988636 FUDOYRNVCJLELC-SFHVURJKSA-N 403.910 3.396 0 40 HGAB Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3ccccc3C(N)=O)c2)cc1 17481665 UNVDNRLPEDIYPY-UHFFFAOYSA-N 423.494 3.171 0 40 HGAB Cc1cc2n(n1)[C@@H](C(F)F)C[C@@H]([C@@H]1CCCN(C(=O)CN3CCC(C)CC3)C1)N2 19127854 RNRYKAWQZKHYPL-FGTMMUONSA-N 409.525 3.152 0 40 HGAB C[C@H](CCC(=O)N[C@H](c1ccc(Cl)cc1)c1cccnc1)N1CCN(C)CC1 19455590 BGEWVEZQVKTWKK-VGOFRKELSA-N 400.954 3.357 0 40 HGAB CCCc1nccc(-c2c[nH]nc2C2CCN(C(=O)Cc3c(C)noc3C)CC2)n1 19525817 MIKUGBZSIYKMHD-UHFFFAOYSA-N 408.506 3.373 0 40 HGAB COc1ccc2c(c1)C[C@@H](C(=O)N1CCC[C@@H](c3nc(-c4cccnc4)no3)C1)CO2 19562348 ZYYLNNHZZAIKOD-SJLPKXTDSA-N 420.469 3.098 0 40 HGAB Cc1nc(-c2cncnc2[C@H]2CCN(C(=O)CCc3c[nH]c4ccccc34)C2)no1 19693857 ZHBXLMZMFVQAPF-INIZCTEOSA-N 402.458 3.265 0 40 HGAB Cc1ccc([C@@]2(O)CCN(C(=O)Cc3cc(Cl)c4c(c3)OCCCO4)C2)cc1 19714428 XNOYGHJNFMJMFL-JOCHJYFZSA-N 401.890 3.472 0 40 HGAB Cc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCC(C)C)c(C)c1 19931258 XNIXNNGOHNAHEK-FQEVSTJZSA-N 402.560 3.274 0 40 HGAB CC(C)C(=O)NC(=S)Nc1cccc(Cl)c1N1CCN(C(=O)C(C)C)CC1 20412649 RBVPODCQEHPJII-UHFFFAOYSA-N 410.971 3.114 0 40 HGAB O=C1CCCN1Cc1cccc(C(=O)N2CCN(Cc3ccc(Cl)s3)CC2)c1 23995737 GJYXXRGHEJOSNR-UHFFFAOYSA-N 417.962 3.482 0 40 HGAB CC(C)COc1cccc(C(=O)N2CCN(Cc3nc(N)c4ccccc4n3)CC2)c1 24991663 PDTNVGIIKUNTQY-UHFFFAOYSA-N 419.529 3.205 0 40 HGAB COc1ccc(CCNC(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)cc1OC 25708543 KEASGGZHGMQHKI-HNNXBMFYSA-N 402.878 3.069 0 40 HGAB O=C(c1ccc2c(c1)OCCO2)C1CCN(C(=O)CCc2ccc3c(c2)OCO3)CC1 25920818 QRRJDJOCCZPBTM-UHFFFAOYSA-N 423.465 3.241 0 40 HGAB CCOC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(C[C@@H](O)c2ccccc2)CC1 28693624 HSGTZIBYSYCMMA-NHCUHLMSSA-N 402.922 3.295 0 40 HGAB COC(=O)CCCNC(=O)c1ccccc1C(=O)c1ccc(Br)cc1 29714117 YBJAIRAWRWRDCM-UHFFFAOYSA-N 404.260 3.363 0 40 HGAB CC1CCN([C@@H](CNC(=O)[C@@H]2CCCN(c3cnccn3)C2)c2cccs2)CC1 29754322 FZIWYLRRDCLRKB-MOPGFXCFSA-N 413.591 3.344 0 40 HGAB CSc1cccc(N2C[C@H](C(=O)NC[C@@H](c3cccc(F)c3)N(C)C)CC2=O)c1 29836465 BKBHCWNJKVMAOS-UZLBHIALSA-N 415.534 3.320 0 40 HGAB Cn1ccc(C(=O)Nc2ncc(Cc3ccc(Br)cc3)s2)cc1=O 30566087 PCYFQIUAVCRDCK-UHFFFAOYSA-N 404.289 3.447 0 40 HGAB CN1CCN(c2ccc(Cl)cc2NC(=O)CCCNC(=O)c2cccs2)CC1 32718959 VVNRMFVBYMXMHN-UHFFFAOYSA-N 420.966 3.302 0 40 HGAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCC[C@@H]2c2ccc(C)cc2)cc1 32796193 FJZVLCSBAZFMAP-OXJNMPFZSA-N 402.516 3.034 0 40 HGAB CC(C)[C@@H](NC(=O)Nc1ccccc1)C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 32808961 SHMXZXFJXIGWQG-HNAYVOBHSA-N 417.531 3.114 0 40 HGAB Cc1ccc(CN2CCCN(C(=O)[C@H]3CCCN(C(=O)c4ccoc4)C3)CC2)cc1 32827642 HNFMOQDXRCQFCX-NRFANRHFSA-N 409.530 3.175 0 40 HGAB COCCn1c(S[C@@H](C)C(=O)NC(=O)NC2CCCCC2)nc2ccccc21 32911126 ZHHGPZZNTUPPNT-AWEZNQCLSA-N 404.536 3.322 0 40 HGAB C[C@@H]1CCCN(Cc2ccccc2CNC(=O)CCNC(=O)Cc2ccccc2)C1 32930732 MMMFEDLPTPFDHV-HXUWFJFHSA-N 407.558 3.284 0 40 HGAB COc1ccc(CCNCC(=O)Nc2ccc(C(=O)N3CCCCCC3)cc2)cc1 35311553 ZFTGUFZTHDXRHY-UHFFFAOYSA-N 409.530 3.482 0 40 HGAB CC(=O)Nc1ccccc1OCc1noc(C(=O)NCc2ccc(Cl)cc2)n1 36358315 IOFWJINVTJHYDZ-UHFFFAOYSA-N 400.822 3.190 0 40 HGAB O=C(NCc1ccc(CN2CCOCC2)cc1)C1CCN(Cc2ccccc2)CC1 38831183 QTUGXMIVLFGRKW-UHFFFAOYSA-N 407.558 3.047 0 40 HGAB Cn1ccnc1[C@@H](NC(=O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1)c1ccccc1 40015856 XZWVYAIDXLHMQX-CTNGQTDRSA-N 420.488 3.317 0 40 HGAB O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl 40073500 FVFZGDHJHIJQEW-INIZCTEOSA-N 419.268 3.406 0 40 HGAB C[C@@H]1CCCCN1Cc1ccccc1CNC(=O)[C@@H]1CCCN(c2cnccn2)C1 40112351 KPIAYDSUOSVHKF-DENIHFKCSA-N 407.562 3.384 0 40 HGAB C[C@@]1(c2cccc(C(F)(F)F)c2)NC(=O)N(CC(=O)Nc2cccc(F)c2)C1=O 40116822 HCRQVJGCRNSTHF-SFHVURJKSA-N 409.339 3.250 0 40 HGAB CC(C)S(=O)(=O)c1ccc(C(=O)N2CCCN(C)c3nc4ccccc4nc32)cc1 40131497 UZEYBEZMJVQBTO-UHFFFAOYSA-N 424.526 3.299 0 40 HGAB Cc1nn(C)c2nc(C(C)C)cc(C(=O)N3CCC(C(=O)NCCC(C)C)CC3)c12 40146877 FUWUTEFKSXLRRY-UHFFFAOYSA-N 413.566 3.415 0 40 HGAB O=C(NCCc1cc(F)cc2c1OCOC2)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 41668984 XPOIAAQGLLLRTO-CQSZACIVSA-N 418.852 3.057 0 40 HGAB COC(=O)CCNc1ncc(Br)c(C(=O)Oc2ccc(Cl)cc2)n1 46085654 XSMZOFLWPUFGOL-UHFFFAOYSA-N 414.643 3.087 0 40 HGAB CC(C)c1cccc(NC(=O)Cn2nc3c(N4C[C@H](C)C[C@@H](C)C4)nccn3c2=O)c1 49400167 BGNPGBUCDWRLSD-IAGOWNOFSA-N 422.533 3.135 0 40 HGAB CCCN1CCc2nc(SCC(=O)Nc3ccc(OC)c(Cl)c3)nc(O)c2C1 67291746 QYFQQKUMBLEWCC-UHFFFAOYSA-N 422.938 3.343 0 40 HGAB CCNC(=O)[C@@]1(Cc2cccc(-c3cccc(F)c3)c2)CCCN(C(=O)COC)C1 72391563 HDHAQMZMZZYRTL-XMMPIXPASA-N 412.505 3.427 0 40 HGAB CCOc1ncc([C@]2(O)CC[C@H]3CN(Cc4ccccc4OC)C[C@H]32)c(OCC)n1 72392642 LDLCERNOZUKVCH-XKDCRVNJSA-N 413.518 3.012 0 40 HGAB O=C(CN1CC[C@@H](Oc2ccccn2)C1)Nc1ccc2[nH]c(C(F)(F)F)nc2c1 84613279 PVSAGCUBUQESAH-CYBMUJFWSA-N 405.380 3.069 0 40 HGAB Cc1cnn(-c2ccc(C(N)=O)cc2NC(=O)Cc2nc(-c3ccccc3)oc2C)c1 95462387 QFAADARFMUZIRX-UHFFFAOYSA-N 415.453 3.424 0 40 HGAB Cc1cc(NC(=O)[C@H]2Oc3c(c(=O)oc4ccccc34)[C@@H]2c2cccc(O)c2)no1 96115672 ZUZAQNUBYULKHZ-PXNSSMCTSA-N 404.378 3.327 0 40 HGAB biogenic COc1ccc(-c2cc(C(F)(F)F)nc(S[C@@H]3CC(=O)[C@H]4OC[C@H]3O4)n2)cc1 102998654 FVQZTNDUBJENLU-FMKPAKJESA-N 412.389 3.346 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)COc1cc(C)cc(C)c1 216394980 BPQFITMNRLKCNP-UHFFFAOYSA-N 418.515 3.114 0 40 HGAB CCOC(=O)c1ccc(C)c(NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c1 219977430 VWVJVUDVLQWREE-UHFFFAOYSA-N 416.499 3.209 0 40 HGAB C[C@@H](C(=O)NCCSC1CCCCC1)N(c1cccc(F)c1)S(C)(=O)=O 220473242 ZPLSSFXEDAMYTG-AWEZNQCLSA-N 402.557 3.162 0 40 HGAB COCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccccc1 222850125 JBCBROVTDOFVGX-QGZVFWFLSA-N 418.921 3.289 0 40 HGAB COc1ccc(OC)c([C@H](C)NC(=O)c2ccc(NS(C)(=O)=O)cc2Cl)c1 222925276 OWMXTZLMBCIEBL-NSHDSACASA-N 412.895 3.220 0 40 HGAB CS(=O)(=O)N(CC(=O)Nc1ccc2c3c(cccc13)CC2)c1ccc2c(c1)OCO2 223887683 YZGWVDFKOCNMEA-UHFFFAOYSA-N 424.478 3.072 0 40 HGAB Cc1cc(C(=O)Nc2nnc(SCC(C)C)s2)ccc1NS(C)(=O)=O 224679258 QHTPJVLZSHEDBO-UHFFFAOYSA-N 400.551 3.218 0 40 HGAB CC[C@H](NC(=O)CCc1cc(S(=O)(=O)N(C)C)ccc1OC)c1ccccc1 225215515 SKFQQXIKTCVXOH-IBGZPJMESA-N 404.532 3.146 0 40 HGAB O=C(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)Nc1nnc(-c2ccc(Cl)cc2)s1 225807772 NIJWJMZCHIJISG-OKILXGFUSA-N 416.890 3.138 0 40 HGAB O=C(NCCSc1nc(-c2ccccc2)n[nH]1)c1cnn(Cc2ccccc2)c1 225888774 NSCMVEHSWQXGRW-UHFFFAOYSA-N 404.499 3.239 0 40 HGAB Cc1cc(N2CCC(CNC(=O)C(=O)Nc3ccc(C)c(Cl)c3)CC2)ccn1 240002226 PPNHPTHNRAANTQ-UHFFFAOYSA-N 400.910 3.323 0 40 HGAB COc1cccc(C(=O)N2CCC(COc3ccc(F)cc3)(CC(N)=O)CC2)c1 257202941 ANYPALPBDASWAA-UHFFFAOYSA-N 400.450 3.011 0 40 HGAB Cc1ccc(C(=O)N2CCC(COc3ccc(Cl)cc3)(CC(N)=O)CC2)cn1 257211715 CABLYDJRDUHLIP-UHFFFAOYSA-N 401.894 3.220 0 40 HGAB Cc1ncccc1C(=O)N1CCC[C@](COc2cccc(Cl)c2)(CC(N)=O)C1 257264097 LSXPVKGQGRYGIP-NRFANRHFSA-N 401.894 3.220 0 40 HGAB CC1(C)O[C@@](C)([C@H]2CC3(CCN(C(=O)CC4(O)CCCCC4)CC3)CO2)CC[C@@H]1O 257274244 NKECPYPOTQERAS-NNMXDRDESA-N 423.594 3.178 0 40 HGAB CN1CCC(C(=O)N(C)[C@@H]2CC[C@@]3(C)C[C@H](c4ccccc4)C[C@](C)(O3)[C@H]2O)CC1 257290330 QCLMHPRLBNDHPF-ANRPBIDPSA-N 414.590 3.422 0 40 HGAB CCOc1ccc(N([C@H](C)C(=O)Nc2cccc(COC)c2)S(C)(=O)=O)cc1 260796146 XMJHRQFOEHTRQL-OAHLLOKOSA-N 406.504 3.025 0 40 HGAB COc1ccc(C(=O)N2CCN([C@@H](CCC(=O)O)c3ccccc3)CC2)cc1OC 408605890 HDOWGDKFVKTHEB-IBGZPJMESA-N 412.486 3.068 0 40 HGAB CCOc1ccc(N([C@@H](C)C(=O)N[C@H](C)CCc2ccccc2)S(C)(=O)=O)cc1 408629786 HXPJPIYDZJEIEW-MSOLQXFVSA-N 418.559 3.377 0 40 HGAB Cc1cc(C)cc(NS(=O)(=O)c2ccc(OCC(=O)N3CCCCC3)cc2)c1 409370056 KBXKSWWAZCDMHO-UHFFFAOYSA-N 402.516 3.496 0 40 HGAB O=C(O)C[C@H](NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1)c1ccccc1 507071511 VEDPGIYGGZUJQL-FQEVSTJZSA-N 424.478 3.433 0 40 HGAB O=C(NCc1nc(-c2ccncc2)cs1)[C@@H](c1ccccc1)N1CCC(O)CC1 542356876 XQOSIKXVPQWOCZ-OAQYLSRUSA-N 408.527 3.019 0 40 HGAB O=C(c1ccc(C(F)(F)F)nc1)N1CCC[C@@H](n2cnc3ccccc3c2=O)C1 575618230 UIASUKPRLZAIFS-CQSZACIVSA-N 402.376 3.288 0 40 HGAB O=S(=O)(Nc1ccc(OCC2CCOCC2)cc1)c1cnn(-c2ccccc2)c1 605654863 HHYNKLPUOLNFOY-UHFFFAOYSA-N 413.499 3.479 0 40 HGAB C[C@H](NC(=O)N1CCC2(CC1)C[C@@H](O)CNC2=O)c1ccc(Oc2ccccc2)cc1 1563861788 KGVLDAZPDCWCIQ-PKOBYXMFSA-N 423.513 3.213 0 40 HGAB CC(C)(C)c1ccc(OCC2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)nn1 1775966116 QELBGVKVSNPFNP-IBGZPJMESA-N 411.502 3.232 0 40 HGAB Cn1nccc1C(=O)N1CCC(COc2ccccc2)(CC(=O)N2CCCCC2)CC1 2037905474 NJUPYIQEZZQIBX-UHFFFAOYSA-N 424.545 3.124 0 40 HGAB COC(=O)C1=CN(Cc2ccc(OC)cc2)C=C(C(=O)OC)C1c1cccc(OC)c1 729373 RSMHGGOUCDFNST-UHFFFAOYSA-N 423.465 3.417 0 40 HGAB COc1ccc(-c2nnc(SCC(=O)Nc3ccc(OC)cc3OC)n2C)cc1 912275 VLXMUHYTEBMFFJ-UHFFFAOYSA-N 414.487 3.239 0 40 HGAB COC(=O)c1ccc(NC(=O)CSc2nnc(COc3cccc(C)c3)o2)cc1 1251108 HZUQWRXKXSQGHH-UHFFFAOYSA-N 413.455 3.474 0 40 HGAB CC(=O)Nc1ccc(S(=O)(=O)Nc2nc(C)nc3sc4c(c23)CCC4)cc1 2638255 JSLFJMCJRVZRGU-UHFFFAOYSA-N 402.501 3.248 0 40 HGAB Cc1ccccc1NC(=O)COC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12 3220415 KXBMGBXJMHERPM-UHFFFAOYSA-N 413.433 3.490 0 40 HGAB COc1ccc(/C=C/C(=O)Nc2ncc(C)s2)cc1S(=O)(=O)N1CCCCC1 3560795 XZICLNILZWFHIL-VQHVLOKHSA-N 421.544 3.287 0 40 HGAB COc1cc(OC)cc(C(=O)Nc2ccccc2N2CCN(C(=O)C(C)C)CC2)c1 4739344 KHESESKGTWXGQK-UHFFFAOYSA-N 411.502 3.261 0 40 HGAB COc1ccc(-c2noc(CN(C)C(=O)COc3cccc(C)c3C)n2)cc1OC 4943696 SEFQCYCLFXSPQJ-UHFFFAOYSA-N 411.458 3.408 0 40 HGAB CCc1ccc(CN(C(=O)COc2cccc(C)c2)[C@H]2CCS(=O)(=O)C2)cc1 5085323 MKAJETBRIUZIHR-FQEVSTJZSA-N 401.528 3.152 0 40 HGAB Cc1ccc(S(=O)(=O)CCC(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C)C3)cc1 5189178 KWLUPFQZCSMKJO-CYBMUJFWSA-N 420.556 3.083 0 40 HGAB CCN(CC)CCn1c2c(c(SCC(=O)Nc3ccc(C)cc3)nc1=O)CCC2 5254260 XBWHRTAQYUZOEC-UHFFFAOYSA-N 414.575 3.113 0 40 HGAB Cc1cc(NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccc(F)cc2)no1 5356518 ZQJUCFKVNJQENQ-UHFFFAOYSA-N 410.434 3.496 0 40 HGAB C/C=C/c1ccc(=O)n2c1[C@@H]1C[C@@H](CN(S(=O)(=O)c3ccc(Cl)cc3)C1)C2 5441153 GHQHWOZVXABQJO-OZRQEOMLSA-N 404.919 3.343 0 40 HGAB biogenic,in-vitro CCOC(=O)c1sc(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)nc1-c1ccccc1 5672836 FNLHSZXVXWSASZ-QPSCCSFWSA-N 412.467 3.448 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc4c(s3)CC[C@@H](C)C4)CC2)cc1 5823890 UTQHIMMEFRHJQQ-MRXNPFEDSA-N 418.584 3.328 0 40 HGAB CC[C@@H](C)Nc1sc(S(=O)(=O)CC)nc1S(=O)(=O)c1ccc(C)cc1 6751872 CUALJOVTCCZSQE-GFCCVEGCSA-N 402.563 3.288 0 40 HGAB C[C@@H]1C(=O)Nc2ccc(C(=O)CSc3nnc(-c4ccc5c(c4)OCO5)o3)cc21 7152942 IBWHQVADERQHQG-JTQLQIEISA-N 409.423 3.496 0 40 HGAB Cc1cc(NC(=O)COc2ccc3ccccc3c2)n(-c2nc(C)c(C)c(=O)[nH]2)n1 7421198 BSRZEARCUQQWPK-UHFFFAOYSA-N 403.442 3.052 0 40 HGAB O=C(CN1CCC[C@@H]1c1ccc2c(c1)OCCCO2)NC(=O)Nc1ccccc1F 8275234 QOHWBLXQWGLLFX-GOSISDBHSA-N 413.449 3.472 0 40 HGAB CC(=O)c1cccc(NC(=O)CCC(=O)OCC(=O)Nc2ccccc2Cl)c1 8415467 ZMUALUAZTIQCSS-UHFFFAOYSA-N 402.834 3.443 0 40 HGAB S=C(NCc1ccco1)NC[C@H]1C[C@@H]2CCN1C[C@@H]2CN1CCc2ccccc21 8635726 VYAFSBOIQHIZSY-XUVXKRRUSA-N 410.587 3.017 0 40 HGAB biogenic,in-vitro C[C@@H](CNC(=O)Nc1ccc(S(N)(=O)=O)cc1)c1nc2ccccc2n1C(F)F 9112680 WCNFEJRUJGIMPY-NSHDSACASA-N 423.445 3.004 0 40 HGAB Cn1c(=O)c2c(nc3n(-c4ccccc4F)c(-c4ccc(Cl)cc4)cn23)n(C)c1=O 9209697 SWVGONATWYEGSQ-UHFFFAOYSA-N 423.835 3.135 0 40 HGAB COc1cccc(-c2nc(CCNS(=O)(=O)c3cc(F)ccc3OC)cs2)c1 9410111 CMUXOAWBNRDKLS-UHFFFAOYSA-N 422.503 3.487 0 40 HGAB COc1ccc(CC(=O)N2CCN(c3cc(C)c4ccccc4n3)CC2)cc1OC 9486472 LTQGVJKAAYISRL-UHFFFAOYSA-N 405.498 3.452 0 40 HGAB Cc1cccc(NC(=O)CSc2nnc(CNC(=O)c3c(F)cccc3F)o2)c1 9518624 HKROEQHEMFTERL-UHFFFAOYSA-N 418.425 3.317 0 40 HGAB COc1ccc(N(CC(=O)N2CCCc3ccccc32)S(C)(=O)=O)cc1Cl 10449547 SVGVJJKWJNBFHL-UHFFFAOYSA-N 408.907 3.094 0 40 HGAB CC(C)(C)C1=NN(CC(=O)NCc2ccncc2)C(=O)c2cc3sccc3n2C1 12117950 ORTGWZUIQXRDFD-UHFFFAOYSA-N 409.515 3.272 0 40 HGAB Cc1sc2nc(C)n(C3CCN(C(=O)c4n[nH]c5c4CCC5)CC3)c(=O)c2c1C 12145436 UIKNNDJHJCAXAP-UHFFFAOYSA-N 411.531 3.072 0 40 HGAB CCS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)c3ccccc3Cl)cc21 12180650 GNKZHTQRKSXRPS-UHFFFAOYSA-N 414.936 3.243 0 40 HGAB Cc1ccn(CCC(=O)N2CCC[C@@H](n3nnc4cc(C(F)(F)F)ccc43)C2)n1 12184883 CUONPQVNBKACLR-OAHLLOKOSA-N 406.412 3.209 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)N[C@H](C)C2CC2)c1 12557762 CSLWIXGPYGAZKY-MRXNPFEDSA-N 407.580 3.236 0 40 HGAB COc1cc2c(c3oc(=O)c(CC(=O)NCc4cccnc4)c(C)c13)CCC(C)(C)O2 12664633 ZGVJFCDVBAWPML-UHFFFAOYSA-N 422.481 3.468 0 40 HGAB biogenic COc1ccccc1N1C[C@H](C(=O)Nc2ccc(N3CCCC3=O)c(C)c2)CC1=O 12767763 XQRATDAQYCWJTD-MRXNPFEDSA-N 407.470 3.122 0 40 HGAB C[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1)c1ccc(F)c(F)c1 12774958 UHNLRGYGDODOMM-SNVBAGLBSA-N 402.850 3.360 0 40 HGAB O=C(CSc1ncnc2sccc12)N1CCC(C(=O)N2CCCCCC2)CC1 12790095 PZMXAFQXZZEYCR-UHFFFAOYSA-N 418.588 3.425 0 40 HGAB C[C@@]1(c2ccc3c(c2)OCCCO3)NC(=O)N(C[C@H](O)c2ccc(Cl)cc2)C1=O 12817678 GULFYGKSRHBHRX-KKSFZXQISA-N 416.861 3.002 0 40 HGAB Cc1ccc(NC(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCO3)cc1Cl 12822421 NCBNTVBTHWTTQP-UHFFFAOYSA-N 424.906 3.117 0 40 HGAB COC(=O)C[C@@H](NC(=S)NC(=O)c1ccccc1)c1ccc(Br)cc1 12950792 SPFRLMUNKIJDKL-OAHLLOKOSA-N 421.316 3.358 0 40 HGAB CC(C)(C)SCCNC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 13688492 IMBZDUQYFYMOAZ-UHFFFAOYSA-N 419.012 3.389 0 40 HGAB Cn1c(CCCNC(=O)[C@H]2CCCO2)nc2cc(NC(=O)c3cccs3)ccc21 13690844 GXFRZGZPSUGEPB-QGZVFWFLSA-N 412.515 3.115 0 40 HGAB CC[C@@H](C(=O)NCCSCc1ccccc1)N(c1ccc(F)cc1)S(C)(=O)=O 13715342 QWORSZSXZAREII-IBGZPJMESA-N 424.563 3.420 0 40 HGAB C[C@@H]1CCCN(c2ncc(C(=O)NCc3cccc(OC[C@@H]4CCCO4)c3)cn2)C1 19496647 BPRUBLUHAANPHU-UTKZUKDTSA-N 410.518 3.201 0 40 HGAB CCN1CCN(C(=O)c2cc[nH]n2)C[C@H](Cc2ccc(-c3ccccc3F)cc2)C1=O 19527347 JZZDAKXUBXLSPP-IBGZPJMESA-N 420.488 3.379 0 40 HGAB CNc1cc(C2CCN(Cc3c(C)nn(C)c3OC)CC2)nc(-c2cccnc2)n1 19577942 YAOLROUNYPZCGT-UHFFFAOYSA-N 407.522 3.010 0 40 HGAB CN(C)C(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)CCCN(C(=O)[C@@H]2CCCO2)C1 19578947 MZEIWRNFQHEWTO-DHLKQENFSA-N 421.541 3.167 0 40 HGAB Cc1nnsc1C(=O)N1CCC[C@H](c2ncccc2C(=O)NCc2ccccc2)C1 19709394 FTPJSDHFZJOSOV-KRWDZBQOSA-N 421.526 3.191 0 40 HGAB O=C(Nc1nc2c(s1)CCCCC2)[C@@H]1CCN(S(=O)(=O)c2ccc(F)cc2)C1 19748119 FVBYTBCCUZJKLO-CYBMUJFWSA-N 423.535 3.200 0 40 HGAB O=C(Cn1c(=O)cc(C(=O)N2CCCC2)c2ccccc21)Nc1ccc(F)cc1F 20533821 BXYRSCDGGDRMCI-UHFFFAOYSA-N 411.408 3.154 0 40 HGAB COc1ccc([C@H](CNC(=O)c2cc(Cl)ccc2OC)N2CCOCC2)cc1 22402942 YPPVMRPFJYZPHV-IBGZPJMESA-N 404.894 3.161 0 40 HGAB CCc1nc2sc([C@@H](c3cccc(C)c3)N3CCC(C(=O)OC)CC3)c(O)n2n1 22853635 VDDIYJCDPZAMPZ-QGZVFWFLSA-N 414.531 3.342 0 40 HGAB C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)S(=O)(=O)c1cc(Cl)cc(Cl)c1 23261469 OYXJJMBSWSWJSF-JTQLQIEISA-N 423.343 3.023 0 40 HGAB O=C(CN1CCN(c2ccccn2)CC1)N[C@@H](c1ccc(F)cc1)c1cccs1 23881227 XZNGLPWXYXIFNE-QFIPXVFZSA-N 410.518 3.310 0 40 HGAB CCOc1cc2c(cc1CNC(=O)c1cc3cccc(OC)c3oc1=O)O[C@H](C)C2 24317571 MPRGBCIMQUDOHC-CYBMUJFWSA-N 409.438 3.454 0 40 HGAB COc1cc(C(=O)NCc2cc(Cl)c3c(c2)OCCCO3)cc2c1OCCO2 24324353 VERMYIDFVSZLEG-UHFFFAOYSA-N 405.834 3.211 0 40 HGAB CCOc1ccc(Br)cc1S(=O)(=O)NCc1ccc(OC)cc1 28498143 JMDOZOQPVGHWQG-UHFFFAOYSA-N 400.294 3.335 0 40 HGAB O=C(c1ccc2[nH]cnc2c1)N1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1 30126142 MOAWJNMSCUNWGM-UHFFFAOYSA-N 404.392 3.420 0 40 HGAB O=C(NCCC(=O)N1CCCN(Cc2ccc(F)cc2)CC1)c1ccccc1Cl 30897101 KWXUOMZRBKCEOB-UHFFFAOYSA-N 417.912 3.334 0 40 HGAB O=C(NCCN1CCc2ccccc2C1)c1cccc(I)c1 31338018 TXOAKQBCGRLXDC-UHFFFAOYSA-N 406.267 3.079 0 40 HGAB Cc1ccc(-c2nnn(CC(=O)NCc3ccc(-c4csc(C)n4)cc3)n2)cc1 32904017 WDCAIMGEEFXKAH-UHFFFAOYSA-N 404.499 3.397 0 40 HGAB O=C1C[C@@H](C(=O)N2CCN(Cc3ccccc3)CC2)CN1Cc1ccc(Cl)cc1 35686366 BARVRAOINCPKQW-HXUWFJFHSA-N 411.933 3.033 0 40 HGAB NC(=O)c1c(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)sc2c1CCc1ccccc1-2 35897867 UCSAXWWURHOFEE-KOZAUXTDSA-N 408.479 3.074 0 40 HGAB CCn1nccc1CNC(=O)c1cc(-c2cccc(OC)c2)nc2c1c(C)nn2C 36615897 IPSQZFUFAZGZPX-UHFFFAOYSA-N 404.474 3.099 0 40 HGAB CCN1C(=O)/C(=C/c2cn(CC(=O)N3CCCC[C@H]3C)c3ccccc23)N(C)C1=S 39556660 OCFCDGIIUSPNMM-FPXKJXHESA-N 424.570 3.462 0 40 HGAB COc1ccc([C@@H](C)NC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)cc1F 40098443 WLGRWWMDTHAWPA-CYBMUJFWSA-N 409.483 3.276 0 40 HGAB Cc1nc(-c2ccc(CCNC(=O)[C@@H]3CCCN(C(=O)N(C)C)C3)cc2)cs1 40131913 TUTJXFWYHYFOJN-GOSISDBHSA-N 400.548 3.171 0 40 HGAB Cc1ccc([C@@H](CNC(=O)c2ccc(-c3nc(C)no3)cc2)N2CCOCC2)cc1 40156871 MGGFDAASJXBDNH-OAQYLSRUSA-N 406.486 3.157 0 40 HGAB CCOC(=O)Cc1csc(NC(=O)N2CCN(c3cccc(Cl)c3)CC2)n1 42737554 WLCKJAUOGARQBV-UHFFFAOYSA-N 408.911 3.256 0 40 HGAB O=C(OCc1nc(-c2ccc(Br)cc2)no1)[C@H]1COc2ccccc2O1 51315152 ZAHIATQBUPLGMF-OAHLLOKOSA-N 417.215 3.382 0 40 HGAB Cc1ccc(C)c(-c2cc3c(=O)n(CC(=O)N[C@H](C)c4ccccc4)ncn3n2)c1 51317090 GWVCELAVTHJKJB-QGZVFWFLSA-N 401.470 3.052 0 40 HGAB COC(=O)[C@H]1CN(C(=O)CN(C)Cc2cccc(Cl)c2Cl)c2ccccc2O1 57688702 ATEXWVXEHDRDHW-QGZVFWFLSA-N 423.296 3.392 0 40 HGAB CCC[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)N[C@H](C)CN1CCC[C@H](C)C1 58316745 YIIGAGAETZOJJK-QKLQHJQFSA-N 406.546 3.030 0 40 HGAB Nc1ccc(N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)c(-n2cnnc2)c1 70461840 HLSQSFKVEVKBBQ-UHFFFAOYSA-N 417.300 3.119 0 40 HGAB COc1ccc(CN2CCC[C@@H](c3cc(=O)[nH]c(-c4cccnc4)n3)C2)c(OC)c1 72393065 RNCVQUROAWIFBQ-QGZVFWFLSA-N 406.486 3.229 0 40 HGAB Cc1nn(C)c(-c2nn3c(Cc4ccc(F)cc4)nnc3s2)c1Br 72403322 YEKVKPSFHNMHOW-UHFFFAOYSA-N 407.272 3.387 0 40 HGAB CC(C)C(=O)N1CCC[C@H](C(=O)N2CC[C@H]3[C@H](CCCN3Cc3ccccc3)C2)C1 89775647 WSZFFFSGSCYSLE-VJBWXMMDSA-N 411.590 3.394 0 40 HGAB CCCOc1ccc(C(=O)NC[C@@H](c2cccs2)N2CCOCC2)cc1OC 89960323 XWOKYFBOCYZPDF-KRWDZBQOSA-N 404.532 3.349 0 40 HGAB CCC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)c2ccc(OC)cc2)cc1 95428018 URTOVRHQHOPEIO-LJQANCHMSA-N 416.499 3.080 0 40 HGAB COCCn1cc(CC(=O)Nc2ccc(-c3n[nH]c(COC)n3)cc2)c2ccccc21 95473371 RMPVSASXAJOBGK-UHFFFAOYSA-N 419.485 3.400 0 40 HGAB CCCCCCNC(=O)[C@H]1[C@@H]2C=C[C@]3(CN(CCc4c[nH]c5ccccc45)C(=O)[C@@H]13)O2 100785203 VHLZIJNLSWSJQK-VRIJDZSUSA-N 421.541 3.189 0 40 HGAB CCc1cccc(C)c1NC(=O)CN1C(=O)C(=O)N([C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)C1=O 104673265 QFSHKYMSEBEEIE-FZCLSBEQSA-N 411.502 3.111 0 40 HGAB CCOc1ccccc1N(CCCC(=O)NCCSC(C)(C)C)S(C)(=O)=O 113961347 QDEBQQPBOCSYBX-UHFFFAOYSA-N 416.609 3.279 0 40 HGAB CC[C@@H](Oc1ccc(F)cc1)C(=O)NCc1nc(-c2ccc(OC)cc2OC)no1 219328826 IAWKYTXEUFDLIL-QGZVFWFLSA-N 415.421 3.367 0 40 HGAB COc1ccc(OC)c(N([C@@H](C)C(=O)N[C@@H](C)c2ccc(C)cc2)S(C)(=O)=O)c1 220222042 HVUXYQNQOWKDSN-HOTGVXAUSA-N 420.531 3.044 0 40 HGAB CC[C@H](C(=O)N(C)Cc1ccc(OC)cc1)N(c1cccc(C)c1)S(C)(=O)=O 220492804 UFWUKUNHUUSNPC-HXUWFJFHSA-N 404.532 3.207 0 40 HGAB COc1ccc(-c2ncc(C(=O)N3CCN(c4ccccc4OC)CC3)c(C)n2)cc1 223145018 NOQDNWAWZQMLHL-UHFFFAOYSA-N 418.497 3.432 0 40 HGAB CCN(c1ccc2sc(C(=O)NCCOC)cc2c1)S(=O)(=O)c1ccccc1 223393865 YWUGDNHUADJSRK-UHFFFAOYSA-N 418.540 3.493 0 40 HGAB CCc1ccc(NS(=O)(=O)c2nnc(NC(=O)c3ccc(C)cc3)s2)cc1 224444710 YGAYFOOXHOHMBJ-UHFFFAOYSA-N 402.501 3.462 0 40 HGAB Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)NCc2ccccc2Cl)s1 225712275 UIEWDZWLAUTWRL-UHFFFAOYSA-N 422.919 3.231 0 40 HGAB COc1cccc(N(CCCC(=O)NC23CC4CC(CC(C4)C2)C3)S(C)(=O)=O)c1 225754778 BAVVOGQPKJJTEJ-UHFFFAOYSA-N 420.575 3.326 0 40 HGAB Cc1cc(=O)[nH]c(-c2cccc(NC(=O)c3cn4c5c(cccc5c3=O)C[C@H]4C)c2)n1 226093955 CCOBRIVLUDQTCU-CQSZACIVSA-N 412.449 3.430 0 40 HGAB C[C@@H]1CCC[C@]2(C)C[C@@H]3OC(=O)[C@@H](CN4CCN(C(=O)c5ccco5)CC4)[C@H]3C=C12 248335195 MQSZZIBOTGMDJA-PVSFASKOSA-N 412.530 3.352 0 40 HGAB COc1ccc(CCNS(=O)(=O)c2ccc(NC(=O)N3CCCCC3)cc2)cc1 408597279 YJDCUOMVTFFKON-UHFFFAOYSA-N 417.531 3.234 0 40 HGAB CCCCNS(=O)(=O)c1ccc(OCC(=O)NCc2ccc(C)cc2)c(Cl)c1 408620269 IZOGODMHABLLAA-UHFFFAOYSA-N 424.950 3.422 0 40 HGAB COCCn1c(Cc2ccccc2)nnc1SCC(=O)N1[C@@H](C)CCC[C@@H]1C 409120402 VMKOVNFEFAUMOZ-IRXDYDNUSA-N 402.564 3.397 0 40 HGAB O=C(CCc1ccc(S(=O)(=O)NCc2ccccc2)cc1)NCc1ccccc1 409221892 VQQWBMVLZBSEOO-UHFFFAOYSA-N 408.523 3.414 0 40 HGAB CC(=O)NCc1ccc(C(=O)N[C@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)cc1 511827487 AVDHBLYCRKXUOA-FQEVSTJZSA-N 419.447 3.346 0 40 HGAB Cc1nc(C(=O)N2CCC(COc3ccc4nc(C5CC5)cn4n3)CC2)ccc1F 1888897468 BIOHCTMJIHJIKF-UHFFFAOYSA-N 409.465 3.380 0 40 HGAB CCn1cc(CN2CCC[C@]3(CC2)CN(c2cccc(F)c2)C(=O)CO3)c(C)n1 2037989182 YOYGWOHHYCBEAG-QFIPXVFZSA-N 400.498 3.139 0 40 HGAB C[C@@H]1CN(C[C@@H](Cc2ccccc2)C(=O)NCC(=O)O)CC[C@]1(C)c1cccc(O)c1 605670 UPNUIXSCZBYVBB-BSWQBHCVSA-N 424.541 3.051 0 40 HGAB Cc1cc(NS(=O)(=O)c2ccc(NC(=O)COc3c(C)cccc3C)cc2)no1 677117 LJVIWFLORQMICB-UHFFFAOYSA-N 415.471 3.418 0 40 HGAB CC1=NN(C(=O)c2ccc(Br)cc2)[C@@](O)(C(F)(F)OC(F)(F)F)C1 983250 NYLOQLXZAVKZQM-NSHDSACASA-N 417.128 3.489 0 40 HGAB COc1ccccc1NC(=O)CCc1nc(-c2cc(OC)c(OC)c(OC)c2)no1 2231810 JVVWPLKFZIXAMI-UHFFFAOYSA-N 413.430 3.342 0 40 HGAB CC[C@@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)OCN1C(=O)c2ccccc2C1=O 2330908 AJWKIWTXRIHDPR-BEFAXECRSA-N 424.453 3.124 0 40 HGAB COc1ccc(CNC(=O)COC(=O)Cc2cccc(C(F)(F)F)c2)cc1OC 3329328 HQNKZDDSQWFSNV-UHFFFAOYSA-N 411.376 3.125 0 40 HGAB CCOC(=O)c1oc2ccccc2c1NC(=O)COC(=O)c1ccc2c(c1)OCO2 3525784 SOMPCRWBAPOCOP-UHFFFAOYSA-N 411.366 3.134 0 40 HGAB CC1(C)O[C@@H](N2N=C(Br)[C@@H]3C(=O)NC=N[C@@H]32)C(C)(C)C(C)(C)C1(C)C 3852669 GOYRCAGRXJTZSS-ZKYQVNSYSA-N 413.360 3.324 0 40 HGAB CN(CC(=O)Nc1ccccc1Cl)C(=O)COC(=O)c1cc2c(s1)CCC2 4581548 CRUGMQKHGZHLGI-UHFFFAOYSA-N 406.891 3.144 0 40 HGAB C[C@@H](Sc1nnc(-c2ccco2)o1)C(=O)Nc1ccc(N2CCOCC2)cc1 4828474 LOASUZSMLJVGAA-CYBMUJFWSA-N 400.460 3.286 0 40 HGAB CCOc1ccc2[nH]c(=O)c(CN(C[C@@H]3CCCO3)C(=O)N(CC)CC)cc2c1 4861498 HRRGFEMYMSUTFI-IBGZPJMESA-N 401.507 3.370 0 40 HGAB O=C(COC(=O)CCSc1ccc(Cl)cc1)NC(=O)NCc1ccccc1 4979707 KAQASPYLFZKZCQ-UHFFFAOYSA-N 406.891 3.391 0 40 HGAB O=C(Nc1nnc(-c2ccc(Br)cc2)o1)[C@H]1COc2ccccc2O1 5169738 YRDQFQXKHGEQPW-CQSZACIVSA-N 402.204 3.278 0 40 HGAB Cc1cccc(NC(=O)CNC(=O)[C@@H]2Cc3ccccc3CN2C(=O)OC(C)(C)C)c1 5321545 NNDRPRHOXZCPTD-FQEVSTJZSA-N 423.513 3.412 0 40 HGAB CN1CCC(N(C)C[C@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 6083733 QNHZXTRGJXXAGI-QFIPXVFZSA-N 404.501 3.458 0 40 HGAB COc1cc(CCC(=O)O[C@H](C)C(=O)N[C@H]2CCCC[C@@H]2C)cc(OC)c1OC 6639305 YWEMHMBMZBKCPF-UXLLHSPISA-N 407.507 3.272 0 40 HGAB Cc1ccsc1CN(C(=O)COc1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 6810229 TVNMTZLQAQFKCF-AWEZNQCLSA-N 413.948 3.305 0 40 HGAB Cc1ccccc1C(=O)N1CCC(C(=O)N2CCN(c3ccc(F)cc3)CC2)CC1 6979887 QMFWFYYTFOHFEB-UHFFFAOYSA-N 409.505 3.335 0 40 HGAB COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCCC(C)C)c(C)c2)cc1 7361941 DPQLNYRHRIOQET-UHFFFAOYSA-N 420.531 3.346 0 40 HGAB O=C(N[C@H]1CCCc2ccccc21)[C@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1 7547767 SFWIWSVYOZFWRW-PXNSSMCTSA-N 423.538 3.041 0 40 HGAB O=S(=O)(c1ccc2c(c1)OCCO2)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 8039965 KZZQSVNZTXZPOF-QGZVFWFLSA-N 417.483 3.145 0 40 HGAB CN(Cc1ccc2c(c1)OCO2)c1cnn(-c2nc3ccccc3[nH]2)c(=O)c1Cl 8134378 MTLXMDJUQDDWLB-UHFFFAOYSA-N 409.833 3.127 0 40 HGAB Cc1ccc(-c2nnc(S[C@@H](C(=O)N3CCOCC3)c3ccccc3)n2C)cc1 8185875 JBKWOZBLMKQDRP-LJQANCHMSA-N 408.527 3.483 0 40 HGAB Cc1cc(C)n2c(SCC(=O)N3c4ccccc4NC(=O)C34CCCC4)nnc2n1 8767949 HPUGTZHJQWUINR-UHFFFAOYSA-N 422.514 3.131 0 40 HGAB CCOc1ccccc1[C@H]1C(C(=O)Nc2ccc(OC)cc2)=C(C)Nc2nnnn21 8914910 FJCFAAIOKZQOQY-IBGZPJMESA-N 406.446 3.008 0 40 HGAB CCN1C(=O)CCc2cc(NS(=O)(=O)c3ccc(NC(C)=O)cc3C)ccc21 8962383 AGLUSXXIPANMCQ-UHFFFAOYSA-N 401.488 3.053 0 40 HGAB O=C(Cn1cnc2sccc2c1=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1 9222822 ZYZJGZFOTZQNGQ-UHFFFAOYSA-N 420.498 3.082 0 40 HGAB CCOCCCNC(=O)c1c(NC(=O)c2snnc2C)sc2c1CCCC2 9250887 VLVPRQLAIRZRDM-UHFFFAOYSA-N 408.549 3.196 0 40 HGAB Cc1ccc(C)c(-n2c(-c3ccc(F)cc3)cn3c4c(=O)[nH]c(=O)n(C)c4nc23)c1 10104507 VTDRRHGCKSLXHO-UHFFFAOYSA-N 403.417 3.088 0 40 HGAB Cc1ccc(C(=O)NCCCN2CCCCC2)cc1S(=O)(=O)Nc1ccccc1 10112035 PWGXYNLGVAZGQJ-UHFFFAOYSA-N 415.559 3.402 0 40 HGAB Cc1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)NCc2ccco2)cc1 10283529 BWYNWXDZBHCQIH-UHFFFAOYSA-N 400.456 3.084 0 40 HGAB O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)Nc1cc2c(cc1Cl)OCCCO2 11004035 IQTQIZHYDQAISE-STQMWFEESA-N 406.866 3.005 0 40 HGAB COc1cccc(CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2C[C@@]32NC(=O)c3ccccc3N2)c1 12142517 JXXRWKOEMMKPSW-RYFDGZFISA-N 405.498 3.299 0 40 HGAB CC(C)c1nn(CC(=O)NC2CCCCC2)c(=O)c2c1cnn2-c1ccc(F)cc1 12228992 WHWKDPBNOMWNKM-UHFFFAOYSA-N 411.481 3.294 0 40 HGAB Cc1nc(-c2ccccc2)c(CC(=O)N(CCN(C)C)C2CCN(C)CC2)s1 12238200 XFHBUBKMPZMLPX-UHFFFAOYSA-N 400.592 3.145 0 40 HGAB COc1ccc(NC(=O)CSc2cc(C)ccc2C)cc1S(=O)(=O)N(C)C 12688723 SVKDHBAWXOFWPH-UHFFFAOYSA-N 408.545 3.293 0 40 HGAB Cc1nn(CC(=O)Nc2nc(CN3CCC[C@@H](C)C3)cs2)c(=O)c2ccccc12 12756100 VUZZPHZZCOFZIM-CQSZACIVSA-N 411.531 3.032 0 40 HGAB CCN1CCN(S(=O)(=O)c2ccc(NC(=O)CCCc3cccs3)cc2)CC1 12816976 YWZMSRWTGXGWDW-UHFFFAOYSA-N 421.588 3.036 0 40 HGAB CC1=C(C(=O)Nc2ccccn2)[C@H](c2ccc(Br)cc2)n2ncnc2N1 13123692 YKNPFMFODMNHTH-INIZCTEOSA-N 411.263 3.363 0 40 HGAB NC1=NC(SCC(=O)Nc2cccc(Cl)c2)=N[C@@H](c2c[nH]c3ccccc23)N1 13579217 NLZRGGFTFMXGJE-KRWDZBQOSA-N 412.906 3.466 0 40 HGAB COc1ccc(F)cc1S(=O)(=O)N(C)CC(=O)Nc1ccc(Cl)cc1C 13580982 XOQJKYUSWIULLE-UHFFFAOYSA-N 400.859 3.055 0 40 HGAB CCOC(=O)c1sc2nc(COC(=O)c3c(F)cccc3F)[nH]c(=O)c2c1C 13682949 DREHKGWONFIQIK-UHFFFAOYSA-N 408.382 3.105 0 40 HGAB CC(=O)Nc1cc(NC(C)=O)cc(C(=O)O[C@H](C)C(=O)Nc2ccc(Cl)cc2)c1 14244218 JKKATPOSWDKWJX-LLVKDONJSA-N 417.849 3.441 0 40 HGAB COc1ccc(C(=O)NC[C@H](c2ccco2)S(=O)(=O)c2ccc(OC)cc2)cc1 15781079 WEHXWLZKRCPXOV-HXUWFJFHSA-N 415.467 3.242 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(F)c(F)c2)c1 16131116 MIOAXTYQPIPOIA-UHFFFAOYSA-N 418.487 3.105 0 40 HGAB C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1CC(=O)Nc1ccccc1-c1ccccc1 16312002 VTLGTEDXNDRZNU-INIZCTEOSA-N 421.522 3.391 0 40 HGAB C[C@H]1C=CC[C@H]2C(=O)N(c3cccc(C(=O)OCC(=O)c4ccccc4)c3)C(=O)[C@H]12 17976326 RDPWKFNJRACZBB-NYSBEXSLSA-N 403.434 3.428 0 40 HGAB CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)CCc1c[nH]c2ccccc12 18094576 SBWORQQUKYTZME-UHFFFAOYSA-N 407.470 3.359 0 40 HGAB CO[C@@H]1CCC[C@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)c2cc(=O)[nH]c(C)n2)C1 19240968 WMHKQPFECQSXQT-VPWXQRGCSA-N 408.502 3.165 0 40 HGAB COc1cccc(CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)c2cc(=O)[nH]c(C)n2)c1 19240990 JCORZYFDWCUEOW-NRFANRHFSA-N 416.481 3.211 0 40 HGAB O=C(Cc1ccccc1)N[C@H](Cc1cc(=O)[nH]c(N2CCCC2)n1)c1ccc(F)cc1 19370325 PQZRMHSQQPTWFW-OAQYLSRUSA-N 420.488 3.152 0 40 HGAB CCc1nc(C)cc(N2CCN(C(=O)c3ccc(Cc4c(C)noc4C)o3)CC2)n1 19523146 HFNAYRXLVFJUQR-UHFFFAOYSA-N 409.490 3.098 0 40 HGAB CCN1CCN(C(=O)c2ccccn2)C[C@@H](Cc2cccc(-c3cccnc3)c2)C1=O 19527562 WWORHQYUHQJODN-JOCHJYFZSA-N 414.509 3.307 0 40 HGAB CC(=O)Nc1ccc(C(=O)N2CCC(C(=O)c3cnn4c(C)cc(C)nc34)CC2)cc1 19717980 ZTOBOXDATBETHK-UHFFFAOYSA-N 419.485 3.040 0 40 HGAB Cc1ccc([C@@H](CNC(=O)CCCc2nc(-c3ccccc3)no2)N2CCOCC2)o1 25399381 HEGJSXILMJZQMC-LJQANCHMSA-N 424.501 3.150 0 40 HGAB Cc1cccc2c(=O)n(CCC(=O)N3CCC[C@@H]3c3ccc4c(c3)OCCO4)cnc12 27153873 FOQUMGUKVRSSAX-LJQANCHMSA-N 419.481 3.230 0 40 HGAB O=C([C@H](Cc1ccccc1)n1cnnn1)N1CCC[C@H](c2nc3ccccc3o2)C1 27381368 UAYQDIHWCXWNBS-HKUYNNGSSA-N 402.458 3.004 0 40 HGAB Cc1nc(C2(NC(=O)CCN3C(=O)CSc4ccccc43)CCCCC2)no1 29059247 MTPUKRYMZULXOK-UHFFFAOYSA-N 400.504 3.183 0 40 HGAB O=C([C@H](Sc1nnc(C2CC2)n1Cc1ccco1)c1ccccc1)N1CCOCC1 32741618 GVKYYHWCOSOAFW-LJQANCHMSA-N 424.526 3.489 0 40 HGAB O=c1ccc2cc(S(=O)(=O)NCCc3ccc(N4CCCCC4)cc3)ccc2o1 32932870 WZYKVFLVHSUZFE-UHFFFAOYSA-N 412.511 3.304 0 40 HGAB O=C(OCc1nc(-c2ccc(F)cc2)no1)[C@H]1CCCN1C(=O)NC1CCCCC1 32937238 DSXHNGBNPNDDRH-QGZVFWFLSA-N 416.453 3.426 0 40 HGAB Cc1ccc(NC(=O)CS[C@@H](C)C(=O)N(C)C[C@@H]2COc3ccccc3O2)cc1 36752000 QZPQQDJISSUQJB-FUHWJXTLSA-N 414.527 3.354 0 40 HGAB CCN(CC)CCOc1ccccc1NC(=O)N1CCN(c2ccccc2O)CC1 40104532 VJPLGAMYXAOSQJ-UHFFFAOYSA-N 412.534 3.467 0 40 HGAB COc1ccc(OC)c([C@H]2c3[nH]cnc3CCN2C(=O)Nc2ccccc2C(=O)O)c1 40313134 JZRIJJNAZWFKRE-FQEVSTJZSA-N 422.441 3.305 0 40 HGAB biogenic CCc1nn2c(nnc3c(=O)n(CCCC(=O)O)ccc32)c1-c1ccc(Cl)cc1 40395925 TUQTXRSINHNUPB-UHFFFAOYSA-N 411.849 3.187 0 40 HGAB COc1cccc(-c2c3c(=O)n(Cc4ccccc4F)ccc3nc3ncnn23)c1 40398272 QLZDRPLIJOLIGT-UHFFFAOYSA-N 401.401 3.302 0 40 HGAB COc1ccc(N2C[C@@H](C(=O)Nc3nnc(COc4ccccc4)s3)CC2=O)cc1 49551029 SAHPNTJPJQEDCB-AWEZNQCLSA-N 424.482 3.117 0 40 HGAB Cc1oc(C(=O)Nc2ccc3c(C)cc(=O)oc3c2)cc1S(=O)(=O)N1CCCC1 49574328 SRBYYRKIKULPMR-UHFFFAOYSA-N 416.455 3.040 0 40 HGAB Cc1c(Cl)cn2c(=O)cc(CN3CCN(c4ccccc4O)CC3)nc2c1Cl 57911487 SPEHZVWQBPYQBF-UHFFFAOYSA-N 419.312 3.338 0 40 HGAB COC(=O)C[C@H](NC(=O)Nc1ccn(-c2ccccc2)n1)c1ccc(OC)c(OC)c1 58018620 SZWZNNUNKJOJQS-KRWDZBQOSA-N 424.457 3.315 0 40 HGAB Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NCC(C)C)Oc3cc(C)ccc32)cc1 64985947 JBOYOQFJDGNNNP-FQEVSTJZSA-N 402.516 3.032 0 40 HGAB Cc1ccc2c(c1)N(S(C)(=O)=O)CC[C@@H](C(=O)Nc1cccc(OC(C)C)c1)O2 64988705 AELNXQUXLRBQQJ-FQEVSTJZSA-N 418.515 3.338 0 40 HGAB COc1cc(C)c(CN2CCN(c3ccccc3[C@@H](O)c3nccn3C)CC2)cc1C 72340532 XYIGBZVLKTWJLO-XMMPIXPASA-N 420.557 3.449 0 40 HGAB Cc1c(C)c(C)c(S(=O)(=O)NC[C@](C)(O)c2ccc3c(c2)OCO3)c(C)c1C 77184623 NDIXEBOZMBWXPH-NRFANRHFSA-N 405.516 3.143 0 40 HGAB COc1ccccc1NC(=O)[C@@H](C)NC(=O)N1CCN(c2cccc(Cl)c2)CC1 80337627 VLHHUMZVTIQEDW-OAHLLOKOSA-N 416.909 3.207 0 40 HGAB Cc1ccc(-c2cc(C(=O)N3CCN(C(=O)CCc4ccccc4)CC3)[nH]n2)cc1 94993173 JJQDEDMMEKOMNF-UHFFFAOYSA-N 402.498 3.302 0 40 HGAB O=C(c1cccc(Br)c1)N1CC(S(=O)(=O)c2ccc(Cl)cc2)C1 96122157 QMVLEEINQYPCRF-UHFFFAOYSA-N 414.708 3.401 0 40 HGAB O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)NCCc1c[nH]c2ccc(Cl)cc12 96222697 KYIQLYHXTGWEQJ-LNLFQRSKSA-N 420.966 3.206 0 40 HGAB biogenic COc1cccc(CNC(=O)[C@H]2[C@H]3CC[C@@]4(CC(=O)c5ccccc5O4)[C@@H]32)c1OC 100124747 YYNWUEYAZSSTND-ARKGGFPYSA-N 407.466 3.380 0 40 HGAB Cc1ccccc1C(=O)N[C@@H](C)c1nnc(SCC(=O)NC2CCCCC2)n1C 107680390 PRSKDEOZGGUDKM-HNNXBMFYSA-N 415.563 3.156 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)Nc1cccc2ccccc12 220009144 JBMKYUVSTYDCPV-UHFFFAOYSA-N 423.538 3.337 0 40 HGAB CC[C@@H](C(=O)NCCCc1ccc(C)cc1)N(c1ccc(OC)cc1)S(C)(=O)=O 220653755 JGCQXYBNPYRNLX-NRFANRHFSA-N 418.559 3.297 0 40 HGAB COC(=O)c1ccc(Cl)c(NC(=O)c2ccc(N3CCCCS3(=O)=O)cc2)c1 222582822 RNVREUCIYCHRHK-UHFFFAOYSA-N 422.890 3.309 0 40 HGAB COc1cccc(N(CCCC(=O)N[C@@H](C)CCc2ccccc2)S(C)(=O)=O)c1 222593514 JCLCJXIEBXDWTK-SFHVURJKSA-N 418.559 3.379 0 40 HGAB COc1cccc(N(CCCC(=O)NCCCc2ccc(C)cc2)S(C)(=O)=O)c1 222594998 QXJCTRUKHFXJFJ-UHFFFAOYSA-N 418.559 3.299 0 40 HGAB CS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc(Br)c(Cl)c2)cc1 223670259 WULCQWIXQZOLQV-UHFFFAOYSA-N 424.725 3.307 0 40 HGAB COC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccccc2C(=O)NC(C)(C)C)c1 223838659 IOPMPXIKYIWBEA-UHFFFAOYSA-N 404.488 3.111 0 40 HGAB COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NCc2ccc3c(c2)OCO3)cc1 225531516 VKRMEWWHEMRFBA-UNOMPAQXSA-N 420.421 3.104 0 40 HGAB COC(=O)[C@H]1C[C@H](OC)CN1C(=O)CCc1cccc(Oc2ccc(F)cc2)c1 225633512 VKNWDRYAUCHYEB-VQTJNVASSA-N 401.434 3.340 0 40 HGAB CCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCC(=O)N2CCOCC2)cc1 225744555 MVYAVQMOICPLCL-JOCHJYFZSA-N 406.523 3.238 0 40 HGAB CCc1cc(Br)cc(CC)c1NC(=O)C1CCN(S(C)(=O)=O)CC1 226046267 ZVHQQJWABNRTCM-UHFFFAOYSA-N 417.369 3.184 0 40 HGAB Cc1ccc([C@H]2OC[C@H]3O[C@@H](c4ccc(C)c(C)c4)O[C@@H]([C@H](O)CO)[C@H]3O2)cc1C 238809657 YWEWWNPYDDHZDI-PEOLYXCJSA-N 414.498 3.170 0 40 HGAB O=S(=O)(NC[C@](O)(c1ccoc1)c1cccs1)c1ccc(F)c(Cl)c1 240067756 SAPXTEUYVLAMEA-INIZCTEOSA-N 401.868 3.348 0 40 HGAB CC(=O)NC12C[C@H]3C[C@@H](C1)CC(C(=O)N[C@H](c1ccc(F)cc1)c1nccn1C)(C3)C2 247908909 DCEDRGAKYBGYDT-HZGVGESOSA-N 424.520 3.240 0 40 HGAB CN(C(=O)c1ccc(-c2ccc(Cl)cc2)o1)[C@@H]1CCC[C@@H](N2CCOCC2)[C@@H]1O 257269880 MRUJZSADMOAAMS-DBXWQHBBSA-N 418.921 3.286 0 40 HGAB COc1ccc(CN(CC(=O)O)C(=O)Cn2c(C(F)(F)F)nc3ccccc32)cc1 257291405 QGUVLYBEDWSMAM-UHFFFAOYSA-N 421.375 3.177 0 40 HGAB Cc1ccc(S(=O)(=O)N(C)[C@H](Cc2cccc(Br)c2)C(=O)O)cc1 260679619 SVECIRUQIVCPSU-MRXNPFEDSA-N 412.305 3.074 0 40 HGAB COc1ccc([C@H](C)NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)cc1 260740233 MKHPAVIEJSBFHI-RDJZCZTQSA-N 420.506 3.112 0 40 HGAB CC[C@H](NC(=O)[C@H](C)Oc1ccc(N(C)S(C)(=O)=O)cc1)c1ccc(C)cc1 260839005 GPTXEZMHRJNCLE-JXFKEZNVSA-N 404.532 3.426 0 40 HGAB CC[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)c1ccccc1 260903420 OTSUEDCYBLJJIH-PXNSSMCTSA-N 404.507 3.494 0 40 HGAB Cc1cc(C)cc(N([C@H](C)C(=O)NCCOc2cccc(C)c2C)S(C)(=O)=O)c1 260937178 PLWIOBXWIPNSBV-LJQANCHMSA-N 418.559 3.270 0 40 HGAB COc1ccc(CN2CCN(C)[C@H](c3nnn4cc(-c5ccncc5)ccc34)C2)cc1 306139572 TUPBMFDTPQIBOZ-QHCPKHFHSA-N 414.513 3.289 0 40 HGAB CC(C)n1cnc([C@H]2CN(C(=O)C3CCC3)C[C@]23CCN(Cc2ccncc2)C3=O)c1 306139910 UDRSGCRZXNSLAC-HYBUGGRVSA-N 421.545 3.004 0 40 HGAB O=S1(=O)c2ccc(-c3ccncc3)cc2[C@H]2CN(Cc3ccc4c(c3)OCO4)C[C@@H]21 306140224 UNHUNLMPYNPRES-XXBNENTESA-N 420.490 3.233 0 40 HGAB CCc1ccccc1N(CC(=O)NCCSCc1cccc(C)c1)S(C)(=O)=O 408926952 RVOLOKXRCLKWTA-UHFFFAOYSA-N 420.600 3.373 0 40 HGAB COc1ccccc1[C@H]1CCCCN1C(=O)c1cc(S(N)(=O)=O)cc(C)c1C 676879280 PAFYTYKRQFXCTO-LJQANCHMSA-N 402.516 3.327 0 40 HGAB C=CC(=O)N1CCC(C(=O)N2CCC[C@](OC)(C(F)(F)F)C2)(c2ccccc2)CC1 1567655528 VNRMVKGFEJSSOZ-OAQYLSRUSA-N 424.463 3.303 0 40 HGAB Cc1nc2ccccc2c(=O)n1CC1CCN(C(=O)[C@H]2CCc3ccccc3O2)CC1 1848620554 PVLQBNUKWJQTQI-HSZRJFAPSA-N 417.509 3.337 0 40 HGAB O=C(CN1CCC[C@@](O)(COc2ccc(F)cc2)C1)Nc1nc2c(s1)CCCC2 2037916094 NGACONBHSIMLLA-NRFANRHFSA-N 419.522 3.005 0 40 HGAB CC(C)(C)NC(=O)CSc1nnc(CNc2ccc(F)cc2)n1C[C@@H]1CCCO1 905088 UUAVHXNOKYQCDS-INIZCTEOSA-N 421.542 3.215 0 40 HGAB O=C(c1ccc(Br)cc1)c1onc2c(=O)n(Cc3ccccc3)cnc12 1425299 KLSMAGWTGQKAQG-UHFFFAOYSA-N 410.227 3.426 0 40 HGAB O=C(c1cccc(NC2=C(Cl)C(=O)N(CCc3ccccc3)C2=O)c1)N1CCCC1 1785739 JTCJIHLLSUBHGH-UHFFFAOYSA-N 423.900 3.396 0 40 HGAB COc1cc2c(cc1OC)-c1cc(Oc3ccc(C=O)cc3OC)nc(=O)n1CC2 2131444 YMACNHKVKWXWFQ-UHFFFAOYSA-N 408.410 3.097 0 40 HGAB biogenic CCN1CCC[C@@H]1CN/C=C1/C(=O)N(c2ccccc2OC)C(=O)c2ccccc21 2198097 QGBBVLJFUAZDFP-PBEQFFAXSA-N 405.498 3.297 0 40 HGAB COc1ccc(N2C(=O)C[C@@H](N3CCN(c4cc(Cl)ccc4C)CC3)C2=O)cc1 3374471 HWXXLJMBWUMTMO-HXUWFJFHSA-N 413.905 3.111 0 40 HGAB COC(=O)C[C@@H](NS(=O)(=O)c1cccs1)c1ccc(Br)cc1 4085612 LHDGIPPTFDCIJO-GFCCVEGCSA-N 404.307 3.093 0 40 HGAB CCc1nc(SCC(=O)Nc2c(C)nn(C)c2C)c2cnn(-c3ccccc3)c2n1 4967984 YECMAMDFPDMDFN-UHFFFAOYSA-N 421.530 3.459 0 40 HGAB O=C(OCc1cn2ccccc2n1)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O 5254610 RGUVMVFFDMRWTG-UHFFFAOYSA-N 401.378 3.081 0 40 HGAB CCOC(=O)[C@@](NC(=O)c1ccc(F)cc1)(Nc1ccccc1OC)C(F)(F)F 5327412 VISHVSHPADFQDY-SFHVURJKSA-N 414.355 3.498 0 40 HGAB COc1ccc(CCNC(=O)/C=C/c2ccc(OC)c(OC)c2OC)cc1OC 6170742 QYFDRKJKLRKOFI-DHZHZOJOSA-N 401.459 3.102 0 40 HGAB CCCCN1C(=O)c2ccc(C(=O)O[C@@H](C)C(=O)N3CCCCCC3)cc2C1=O 7259128 FFHZBJBYLZEBLM-HNNXBMFYSA-N 400.475 3.031 0 40 HGAB Cc1cc(C)n(-c2nnc(SCC(=O)Nc3ccccc3-c3ccccc3)n2N)n1 7530530 NJXSLHWIPMMEFF-UHFFFAOYSA-N 419.514 3.192 0 40 HGAB O=C1CCCN1c1ccc(NS(=O)(=O)c2ccc(Br)s2)cc1 7612609 MKPRXHOITSDASU-UHFFFAOYSA-N 401.307 3.438 0 40 HGAB O=C(Cn1cnnn1)Nc1nc2nc(-c3ccccc3)cc(C(F)(F)F)c2s1 7987882 TUTDKOYTTOOYBY-UHFFFAOYSA-N 405.365 3.002 0 40 HGAB COC(=O)COc1ccc(/C=C2\SC(=O)N(CC(=O)c3ccccc3)C2=O)cc1 8092065 WZTNNYQMUSACNI-WQRHYEAKSA-N 411.435 3.158 0 40 HGAB COC(=O)c1ccccc1NC(=O)CSc1nnc(-c2cccc(OC)c2)n1C 9204059 RRQAEMZUPOAVAO-UHFFFAOYSA-N 412.471 3.008 0 40 HGAB CCn1c(SCC(=O)OCCOc2ccccc2C(C)=O)nnc1-c1ccco1 9398487 KRLFQUIFJQRBJT-UHFFFAOYSA-N 415.471 3.475 0 40 HGAB COc1cccc(C(=O)NCCn2nc(-c3ccc(Cl)cc3)ccc2=O)c1OC 9844191 SFQUWAZGRLPXDH-UHFFFAOYSA-N 413.861 3.011 0 40 HGAB NC(=O)c1ccc(NC(=O)C(=O)NCCC(c2ccccc2)c2ccccc2)cc1 10328029 ZGOBKTWIZVSXQJ-UHFFFAOYSA-N 401.466 3.062 0 40 HGAB Cc1csc(CN2C(=O)c3cccc(N4CCN(Cc5ccoc5)CC4)c3C2=O)n1 12243666 WXJVOWKKXHVEPA-UHFFFAOYSA-N 422.510 3.163 0 40 HGAB COc1cc(C(=O)N2CCC[C@@H](c3noc(-c4ccccn4)n3)C2)cc(OC)c1OC 12291934 ZSSWGQNXXDXJCQ-CQSZACIVSA-N 424.457 3.177 0 40 HGAB Cc1cccc(-c2n[nH]c(=S)n2CC(=O)N2CCN(c3ccc(F)cc3)CC2)c1 12592643 CBONDGVMHYJQMJ-UHFFFAOYSA-N 411.506 3.404 0 40 HGAB CS(=O)(=O)Nc1cc(NC(=O)c2cc(Br)ccc2F)ccc1F 12735413 XIBVKPLLMMVALH-UHFFFAOYSA-N 405.220 3.351 0 40 HGAB COc1ccc(OCCN2CCN(C(=O)c3cc4ccccc4cc3O)CC2)cc1 12999657 ZXDHGWZHQYHHJC-UHFFFAOYSA-N 406.482 3.391 0 40 HGAB C[C@@H](NC(=O)CCn1c(=O)[nH]c(=O)c2ccccc21)c1ccc(Cl)cc1Cl 13000947 OWBVDQVPSMUEBI-LLVKDONJSA-N 406.269 3.264 0 40 HGAB C[C@H]1Cc2ccccc2N1C(=O)CN(c1cccc(Br)c1)S(C)(=O)=O 13645936 ZQQWZVMZSOXBNO-ZDUSSCGKSA-N 423.332 3.193 0 40 HGAB COc1cc(CNCCSc2nnnn2C)ccc1OCc1cccc(Cl)c1 13946000 XZBYBPMTJIORQF-UHFFFAOYSA-N 419.938 3.333 0 40 HGAB COc1ccc(NC(C)=O)cc1NC(=O)CSc1nc(-c2ccccc2F)n[nH]1 14108304 CVHGWVJIESCETA-UHFFFAOYSA-N 415.450 3.309 0 40 HGAB COc1cccc(N2C(=O)C[C@H](N3CCC(c4nc5ccccc5o4)CC3)C2=O)c1 14202369 QQEVROAXUJWYGO-IBGZPJMESA-N 405.454 3.348 0 40 HGAB CC(C)N(C(=O)CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O)C1CCCCC1 16046692 VOSYWLRURZZTQL-HXUWFJFHSA-N 410.518 3.201 0 40 HGAB O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(Cl)c(F)c1)N1CCCN1[C@@H]2c1ccc(F)cc1 19169728 WNFVFUSZNAITIF-KSZLIROESA-N 403.816 3.154 0 40 HGAB O=C1NCCN(C(=O)c2ccccn2)C[C@@H]1Cc1ccc(-c2ccccc2F)cc1 19368409 CPJNQHJEHGKWJJ-IBGZPJMESA-N 403.457 3.319 0 40 HGAB CCNC(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)CN(C(=O)C(C)(C)C)CCO1 19529200 ZUHYSLOPQYUZIK-XMMPIXPASA-N 409.530 3.071 0 40 HGAB COc1ccc(-c2ccc(C[C@H]3CN(C(=O)c4ccccn4)CCNC3=O)cc2)cc1 19558348 JAVCFDZMDVUSRN-NRFANRHFSA-N 415.493 3.188 0 40 HGAB COCCNC(=O)c1sc2ncccc2c1[C@@H]1CCN(C(=O)c2ccccc2)C1 19696132 CJYKZHHAZNNTGV-MRXNPFEDSA-N 409.511 3.302 0 40 HGAB Cn1cccc1[C@@H](CNC(=O)c1ccc2c(c1)OCO2)N1CCc2ccccc2C1 21151833 BQICQMWZWGDDQU-OAQYLSRUSA-N 403.482 3.283 0 40 HGAB O=C(c1cc(-c2ccc3c(c2)OCCO3)on1)N1CCN(Cc2ccccc2)CC1 21786169 OMOYPQSOWVBIPE-UHFFFAOYSA-N 405.454 3.071 0 40 HGAB Cc1ccc(Cl)c(-n2ncc3c(N4CCN(C(=O)c5ccco5)CC4)ncnc32)c1 22864274 JRSWQUHVYBBVGY-UHFFFAOYSA-N 422.876 3.333 0 40 HGAB O=C(Nc1ccc(I)cc1)c1cccc(N2C(=O)CCC2=O)c1 24005482 PNFWDXRCLZAJLQ-UHFFFAOYSA-N 420.206 3.197 0 40 HGAB COC(=O)c1cc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)ccc1Cl 26880210 VBWWQWHYIARHLH-UHFFFAOYSA-N 422.890 3.163 0 40 HGAB C[C@H](NC(=O)CCC(=O)N[C@H](C)CCc1ccccc1)[C@@H]1COc2ccccc2O1 28285710 FOHPXYVEEPNWQT-FGSXEWAUSA-N 410.514 3.249 0 40 HGAB CCOC(=O)Cn1c(=O)n2nc(Cc3ccccc3)nc2c2c(CC)c(C)sc21 32074130 XSFCGDQVAICINS-UHFFFAOYSA-N 410.499 3.130 0 40 HGAB C[C@H](OC(=O)C(C)(C)Oc1ccc(F)cc1)C(=O)Nc1ccc2c(c1)OCCO2 32672155 GOKDSKPFOLNBQJ-ZDUSSCGKSA-N 403.406 3.325 0 40 HGAB CCn1c(=O)c(C)nc2cc(C(=O)N(C)[C@H](C)c3ccc(-n4cncn4)cc3)ccc21 32739414 OFENONVEONKEEU-MRXNPFEDSA-N 416.485 3.139 0 40 HGAB COc1ccc(C[C@@H](NC(=O)C[C@H]2C=CS(=O)(=O)C2)c2ccc(OC)cc2)cc1 32808842 MXIHIZGJCWZSLB-DYESRHJHSA-N 415.511 3.052 0 40 HGAB CCN(CC(=O)NCc1ccc(F)cc1)C(=O)c1cc2cc(OC)cc(OC)c2[nH]1 32909583 ADAGWEALOXSSJI-UHFFFAOYSA-N 413.449 3.103 0 40 HGAB O=C(C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1)N1CCCCc2ccccc21 32912931 JWRKTMOOBQZBLA-UHFFFAOYSA-N 423.538 3.217 0 40 HGAB O=C(CN1CCN(Cc2ccccc2)CC1)Nc1ccc(C(=O)N2CCCCC2)cc1 35311545 MQSKDMCMJQCIHE-UHFFFAOYSA-N 420.557 3.069 0 40 HGAB COc1c(-c2c3c(nc4cc5c(cc24)OCCO5)COC3=O)cc2c(c1OC)OCO2 35326495 VBVHHXMUBPGWTJ-UHFFFAOYSA-N 423.377 3.089 0 40 HGAB COc1cc2[nH]c3c(=O)n(CCC(=O)Nc4ccc(F)c(C)c4)cnc3c2cc1OC 35424319 QQRVNCNMTZHFNS-UHFFFAOYSA-N 424.432 3.371 0 40 HGAB COc1c(C(=O)NC(C)C)cn(C)c1-c1nc2cc(NC(=O)C3CC3)ccc2n1C 36369975 WYVXCJRVKMRPPD-UHFFFAOYSA-N 409.490 3.074 0 40 HGAB biogenic C[C@H](OC(=O)C1=NN(c2ccc(F)cc2)[C@H](C(N)=O)C1)c1nc2ccccc2s1 40062695 PMFQXSDFWLOLAQ-ZBEGNZNMSA-N 412.446 3.160 0 40 HGAB O=C(Cc1csc(Cc2ccccc2)n1)N1CCN(CCOc2ccccc2)CC1 40088813 NKAQAIUHHDDHCM-UHFFFAOYSA-N 421.566 3.500 0 40 HGAB CN(CCOc1ccc(F)cc1)C(=O)Nc1cccc(S(=O)(=O)NC(C)(C)C)c1 40104033 NRUQXDGNZQHZPD-UHFFFAOYSA-N 423.510 3.445 0 40 HGAB COc1ccccc1NC(=O)Cn1cccc(-c2nc(-c3ccc(F)cc3)no2)c1=O 49002391 SZFGYPLWKXEQFN-UHFFFAOYSA-N 420.400 3.352 0 40 HGAB O=C(NCc1ccc(CN2CCCCC2)cc1)c1ccc(=O)n(Cc2ccccc2)n1 52167178 LLSJFYWYZVJLLG-UHFFFAOYSA-N 416.525 3.208 0 40 HGAB Cc1cc(=O)c(C(=O)N[C@@H](C)c2ccc3c(c2)CCC(=O)N3)nn1-c1ccccc1F 58413245 GZSLBRIMGMPNLT-AWEZNQCLSA-N 420.444 3.056 0 40 HGAB CCCNC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)c2cc(C(C)(C)C)ccc2O1 64985608 LXVCUBLSSVQRQL-FQEVSTJZSA-N 416.543 3.467 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc(N3CCOCC3)nc2C)cc1 72219634 JDZCFZAVTSECIJ-HXUWFJFHSA-N 401.532 3.061 0 40 HGAB COCCN(Cc1cccnc1)C(=O)[C@H](c1cc(Br)cs1)N(C)C 72307116 BJXTYQNQUKSSNM-INIZCTEOSA-N 412.353 3.184 0 40 HGAB COc1cccc(/C=C/C(=O)OCC(=O)NCc2ccccc2Br)c1 72330827 BMBOEHMUNRZROK-MDZDMXLPSA-N 404.260 3.331 0 40 HGAB O=C(CCc1nc2ncc(Br)cc2[nH]1)NC[C@@H]1CCCN2CCCC[C@H]12 79191713 HDCXFIQASNQSDD-XJKSGUPXSA-N 420.355 3.034 0 40 HGAB biogenic C[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C)CN1C(=O)C1CCN(CC(F)(F)F)CC1 95458815 WDHGYCBRDHLEEW-UONOGXRCSA-N 407.477 3.117 0 40 HGAB COc1ccc(S(=O)(=O)C2CCN(C(=O)Cc3ccccc3Cl)CC2)cc1 96099613 HKPLBKRWRJYPSX-UHFFFAOYSA-N 407.919 3.356 0 40 HGAB CC(C)C(=O)N1CCC2(CC1)O[C@@H](C(=O)Nc1cccc(Cl)c1)Cn1ccnc12 96144663 DISKQXVJUKUFRH-QGZVFWFLSA-N 416.909 3.048 0 40 HGAB O=C(c1ccc2ccc(N3CCN(Cc4cccnc4)CC3)n2c1)N1CCCCC1 96155957 FSISRHMRUCHSAT-UHFFFAOYSA-N 403.530 3.283 0 40 HGAB COc1ccc(CN(C)[C@@H](C)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1F 97165331 UYRPIEQFMVTQOZ-INIZCTEOSA-N 422.522 3.048 0 40 HGAB O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O)Nc1cc(C(F)(F)F)ccc1Cl 101014972 KPVZEGGTGDZPLT-BGHFTGAHSA-N 424.806 3.350 0 40 HGAB O=C(Nc1ccccc1C(=O)O)c1cccc(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)c1 102536509 FRNXLGHVWWLBGZ-BIPCEHGGSA-N 404.422 3.173 0 40 HGAB CCOc1ccc2nc(NC(=O)CCN3C(=O)[C@H]4CCCC[C@H]4C3=O)sc2c1 102954693 PGJGORNWUYTYLQ-OKILXGFUSA-N 401.488 3.199 0 40 HGAB COC(=O)[C@@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)c1ccccc1Br 206802524 GIUQQZBFNZTWCQ-WBMJQRKESA-N 422.250 3.423 0 40 HGAB COc1ccc(-c2noc(CNC(=O)[C@@H](C)Oc3cc(C)ccc3C)n2)c(OC)c1 219075720 LRKWMOUCRYTIGU-OAHLLOKOSA-N 411.458 3.454 0 40 HGAB COc1ccc(OC)c(N([C@H](C)C(=O)Nc2c(C)cccc2C)S(C)(=O)=O)c1 220205933 LAKHLAGYYMPYSG-OAHLLOKOSA-N 406.504 3.114 0 40 HGAB Nc1nnc(COc2ccc(S(=O)(=O)N3CCc4ccccc43)cc2Cl)s1 222642364 JFQNUVDNFRBKRN-UHFFFAOYSA-N 422.919 3.104 0 40 HGAB CCN(CC)S(=O)(=O)c1cc(C(=O)N(C)c2ccc(OC)cc2)ccc1OC 222925291 RBZMINBUKMOFQU-UHFFFAOYSA-N 406.504 3.011 0 40 HGAB COc1ccc(F)cc1S(=O)(=O)NCCNc1ccnc2cc(Cl)ccc12 223024688 QWIDWWAAYXSNPT-UHFFFAOYSA-N 409.870 3.426 0 40 HGAB Cc1cc(C)cc(OCCNC(=O)c2ccc(C)c(S(=O)(=O)N3CCCC3)c2)c1 224076054 ZGNQGFQHEKAJOI-UHFFFAOYSA-N 416.543 3.205 0 40 HGAB CCOc1ccc(S(=O)(=O)N(CC(=O)OC)c2ccc(F)c(Cl)c2)cc1 224597399 IQEWJOCHRKPHFE-UHFFFAOYSA-N 401.843 3.246 0 40 HGAB O=S(=O)(Cc1ccc(Br)cc1)Nc1ccc(N2CCOCC2)cc1 224999376 JNAOLQVKXQULMG-UHFFFAOYSA-N 411.321 3.228 0 40 HGAB Cc1nc(-c2ccc(S(=O)(=O)N[C@@H](c3cccnc3)C3CCOCC3)cc2)co1 225625322 FWBMEOIRJHNHRF-OAQYLSRUSA-N 413.499 3.491 0 40 HGAB COc1ccc(C)cc1S(=O)(=O)N1CCC(C(=O)N(C)c2ccc(F)cc2)CC1 226081533 RHBGBMVMWJFAFW-UHFFFAOYSA-N 420.506 3.206 0 40 HGAB O=C(c1ccc2[nH]ccc2c1)N1CCC(N2CC(=O)N(c3ccccc3)C2=O)CC1 252494527 NXXJWRRHLRCLAC-UHFFFAOYSA-N 402.454 3.241 0 40 HGAB Cc1ccc(C(=O)NC[C@H]2CC[C@H](C(=O)NCCN3CCc4ccccc43)CC2)cn1 257319592 VTEXIYDXTHIOKK-XUTJKUGGSA-N 420.557 3.105 0 40 HGAB CCc1nc(C)c(CN2CC[C@]3(COCc4cnc(NCc5ccccc5)nc43)C2)[nH]1 306123699 AUBDOVJQCOONKV-XMMPIXPASA-N 418.545 3.357 0 40 HGAB COc1ccc(C)cc1NS(=O)(=O)c1ccc(O[C@H](C)C(=O)NC(C)C)cc1 408610708 VJPIPCSAWYYVNN-OAHLLOKOSA-N 406.504 3.096 0 40 HGAB COc1cccc(C(=O)CN(C(=O)c2ccc(Cl)cc2)N2C(=O)CCCC2=O)c1 408656466 SOKSEQDRHZKAQB-UHFFFAOYSA-N 414.845 3.128 0 40 HGAB Cc1ccc(C(=O)O)c(NC(=O)c2ccc(N3C(=O)[C@@H]4[C@H]5CC[C@@H](C5)[C@H]4C3=O)cc2)c1 408667671 CDTBMIZVPZTUTM-IQGAEYHTSA-N 418.449 3.481 0 40 HGAB COc1cc(C=O)cc(I)c1OCc1ccc2c(c1)OCO2 408850886 FNVOFTICISMEJC-UHFFFAOYSA-N 412.179 3.420 0 40 HGAB COc1ccc(CC(=O)N2N=C3CC[C@H](C)C[C@H]3[C@]2(O)C(F)(F)F)cc1OC 409054829 BSNCGDZTTLNSFR-SRBZOADZSA-N 400.397 3.132 0 40 HGAB COc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)cc(Br)c1O 409194007 KFSXZVUUPSNAKK-RIYZIHGNSA-N 403.232 3.256 0 40 HGAB COc1cc(C)c(S(=O)(=O)N2CSC[C@H]2C(=O)Nc2ccccc2C)c(C)c1 523977483 SAWFQFDCACDJJR-SFHVURJKSA-N 420.556 3.323 0 40 HGAB O=C(CCOc1ccc(F)cc1)N1CCc2ncc(-c3cnn(C(F)F)c3)n2CC1 585111349 PPJHLEMYBOYCHA-UHFFFAOYSA-N 419.407 3.135 0 40 HGAB Cc1cc(C)nc(Nc2cc([C@@H]3CCCN(C(=O)/C=C/c4ccnn4C)C3)ccn2)n1 585292839 SRCNAQFHAXJCAQ-OVKVCFKUSA-N 417.517 3.385 0 40 HGAB CN1CCOc2ccccc2CCCCC2(CCN(Cc3cnn(C)c3)CC2)C1=O 643561953 FUWPEFIEJGOKMX-UHFFFAOYSA-N 410.562 3.266 0 40 HGAB O=C1CN(CCCc2ccccc2)Cc2ccc(C(=O)O)cc2OCCCCCN1 643574654 HDYARCCCKTVBLX-UHFFFAOYSA-N 410.514 3.499 0 40 HGAB C[C@@](O)(CN1CCc2c(cccc2C(F)(F)F)C1)c1ccc(S(C)(=O)=O)cc1 1560050312 UMYKZTKNXZIRAJ-LJQANCHMSA-N 413.461 3.375 0 40 HGAB COc1ccc(Cl)c2sc(N3CCC[C@@H](NS(=O)(=O)C4CC4)C3)nc12 1889179536 LZKSZJVFVBAKEM-SNVBAGLBSA-N 401.941 3.009 0 40 HGAB Cc1cc(OC[C@@]2(O)CCCN(C(=O)c3cncnc3C)CC2)cc(C)c1Cl 2037912526 NRTIQGFQWIYUMC-OAQYLSRUSA-N 403.910 3.491 0 40 HGAB CCOc1ccc(N(C(=O)CNc2ccccc2C)[C@@H]2C=CS(=O)(=O)C2)cc1 11903769 GBGDKKDTLPGQII-GOSISDBHSA-N 400.500 3.150 0 40 HGAB COc1cc2c(cc1NC(=O)[C@@H](C)OC(=O)c1cc[n+]([O-])cc1)oc1ccccc12 2618144 HFNBYPCACQHSLU-CYBMUJFWSA-N 406.394 3.412 0 40 HGAB CCn1c(SCC(=O)Nc2cccc(NC(=O)C3CC3)c2)nnc1-c1ccncc1 1342424 NQWSWTKTKBPZBX-UHFFFAOYSA-N 422.514 3.439 0 40 HGAB CC(C)[C@@H]1Oc2ccccc2N(CC(=O)N(Cc2ccccn2)C[C@@H]2CCCO2)C1=O 1362013 OJBCVHZSJPBIOD-CVDCTZTESA-N 423.513 3.039 0 40 HGAB CCOC(=O)C1=C(C)Oc2cc3c(cc2[C@@H]1c1cc(OC)c(O)c(OC)c1)OCO3 1591362 ZJRBUQOIGXERET-FQEVSTJZSA-N 414.410 3.500 0 40 HGAB CCC[C@@H](C(=O)N[C@H]1CCc2c(O)cccc21)N1CCN(C(=O)OC(C)(C)C)CC1 78971980 INCBAPQXAZRLIM-OALUTQOASA-N 417.550 3.217 0 40 HGAB O=C(CN1CCN(Cc2ccc3c(c2)OCO3)CC1)Nc1cc(Cl)ccc1Cl 21847410 MPBPPWCAOZIMHW-UHFFFAOYSA-N 422.312 3.478 0 40 HGAB C[C@@H]1CCCN(C(=O)CSc2nc3ccccc3n2CC(=O)NC2CCCC2)C1 4859105 LYJFTUKBXOCRFG-MRXNPFEDSA-N 414.575 3.446 0 40 HGAB CCOc1ccccc1N(CC(=O)NCCC(C)C)S(=O)(=O)c1ccccc1 6355802 DUZPFGNXDAPDMU-UHFFFAOYSA-N 404.532 3.443 0 40 HGAB COc1ccc(-c2noc(CN3CCN(C(=O)/C=C/c4cccc(F)c4)CC3)n2)cc1 22603891 GWXXSIAOQGHBCC-BJMVGYQFSA-N 422.460 3.242 0 40 HGAB CC(C)(CNC(=O)c1cn(Cc2ccccc2)nc1-c1ccccc1)N1CCOCC1 23881964 QGBAFCUQUHBTPQ-UHFFFAOYSA-N 418.541 3.439 0 40 HGAB NC1=Nc2nc3cc4c(cc3n2[C@@H](c2ccc(Br)cc2)N1)OCCCO4 12507746 QGTSUKXQWBJNMY-INIZCTEOSA-N 414.263 3.056 0 40 HGAB COc1ccccc1NC(=O)c1ccc(N[C@@H](C(=O)NC(N)=O)c2ccccc2)cc1 12554270 MPRCQKHDWHXDQY-HXUWFJFHSA-N 418.453 3.296 0 40 HGAB Cc1ccc(CN(c2ccc(OCC(=O)N3CCCCC3)cc2)S(C)(=O)=O)cc1 22231774 NHGDZFAZMYKOHW-UHFFFAOYSA-N 416.543 3.353 0 40 HGAB COc1cc(OC)cc(C(=O)N[C@H](C(=O)OCC(=O)c2ccc(F)cc2)C(C)C)c1 3266977 LEUCJKQKWAPGEK-FQEVSTJZSA-N 417.433 3.023 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC(=O)NCCCOCC(C)C)cc1 26265609 VGNSVDUZTXRGOW-QGZVFWFLSA-N 413.584 3.140 0 40 HGAB CCc1nn2c(=O)cc(CN(Cc3ccc4c(c3)OCO4)C3CCCC3)nc2s1 27236721 WVQYQJGTKWVSTE-UHFFFAOYSA-N 412.515 3.387 0 40 HGAB COc1ccc(-c2csc(NC(=O)CSCC(=O)Nc3cc(C)on3)n2)cc1 29149828 ZXCDVOOXNOIGQP-UHFFFAOYSA-N 418.500 3.426 0 40 HGAB COc1ccc(Br)c(C(=O)N2CCC(c3n[nH]c(C4CC4)n3)CC2)c1 58310525 BJIVSBYPGGQPSW-UHFFFAOYSA-N 405.296 3.473 0 40 HGAB Cc1ccc(CN2C[C@H](C(=O)OCC(=O)Nc3ccc(C)c(Cl)c3)CC2=O)cc1 28609465 YITNLBOMPGYNEK-QGZVFWFLSA-N 414.889 3.487 0 40 HGAB CCOC(=O)[C@@](NC(=O)c1ccc(OC)cc1)(Nc1ccccc1F)C(F)(F)F 2271845 TYISYJSVBIMFDT-SFHVURJKSA-N 414.355 3.498 0 40 HGAB COc1ccc(C(=O)C2CCN(C(=O)[C@H](C)NC(=O)c3cccc(C)c3)CC2)cc1 12739616 XJXXEBAWTAGHCK-KRWDZBQOSA-N 408.498 3.243 0 40 HGAB COc1ccc(Br)cc1S(=O)(=O)NCCc1c[nH]c2ccccc12 11615615 OMJGDANZDMKPKM-UHFFFAOYSA-N 409.305 3.460 0 40 HGAB COc1cccc(/C=C/C(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)c1 12995775 BKCUGCONBIQWGL-VMPITWQZSA-N 408.454 3.314 0 40 HGAB CN(Cc1ccc2c(c1)OCCO2)CN1C(=O)NC2(CCC(C(C)(C)C)CC2)C1=O 13058824 SPLSVACHBXOGOE-UHFFFAOYSA-N 415.534 3.374 0 40 HGAB CCN1CCC[C@@H]1CNC(=O)c1sc(-c2cc(OC)c(OC)c(OC)c2)nc1C 13723941 JFSUGZAYAXUPDW-OAHLLOKOSA-N 419.547 3.358 0 40 HGAB CCN(CC)S(=O)(=O)c1c(C)nn(CC(=O)Nc2ccc(C(C)C)cc2)c1C 39992622 WCCOXSKWXKANED-UHFFFAOYSA-N 406.552 3.293 0 40 HGAB O=C(COC(=O)c1ccc(N2C(=O)CCC2=O)cc1)c1ccc(Br)cc1 13941917 PXKFRORRIRPOSC-UHFFFAOYSA-N 416.227 3.142 0 40 HGAB C[C@H]1CCc2nc(NC(=O)[C@H]3CCCN3S(=O)(=O)c3ccc(F)cc3)sc2C1 8895259 WEXMRRORIFHSMF-BLLLJJGKSA-N 423.535 3.199 0 40 HGAB O=C(CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O)c1cc(Cl)sc1Cl 8883317 PSNKKSHSSDARIU-QGZVFWFLSA-N 411.266 3.467 0 40 HGAB O=C(CSc1nnnn1Cc1cccs1)N1CCS[C@H]1c1ccccc1F 14129142 SKUQTWPFGLSCJH-INIZCTEOSA-N 421.548 3.288 0 40 HGAB CCN(CC)C(=O)c1sc(NC(=O)COc2ccccc2)c(C(=O)OC)c1C 5470659 XLAQSQYTLCFNRF-UHFFFAOYSA-N 404.488 3.343 0 40 HGAB COc1ccccc1OCc1ccc(C(=O)Nc2ccc3c(c2)C(=O)NC3=O)cc1 409172449 IIOGXSAXSXUTRE-UHFFFAOYSA-N 402.406 3.410 0 40 HGAB Cc1ccc(-c2csc3ncn(CCC(=O)N4C[C@H]5[C@@H](O)CC[C@H]5C4)c(=O)c23)cc1 96010769 UEOIIOYKZDKASL-SCTDSRPQSA-N 423.538 3.053 0 40 HGAB O=C(COC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)c1ccc(Br)cc1 8448929 ADYKOLJRHRNVEU-CYBMUJFWSA-N 420.234 3.367 0 40 HGAB O=C(NC[C@H](c1ccco1)N1CCCC1)C1CCN(C(=O)/C=C/c2ccccc2)CC1 9447473 UORKMKDDUQZQNY-NELJVSICSA-N 421.541 3.485 0 40 HGAB CCC(=O)N1N=C(c2ccccc2NS(C)(=O)=O)C[C@@H]1c1ccc(OC)cc1 9968792 HBZPDTMKEUIPFA-LJQANCHMSA-N 401.488 3.154 0 40 HGAB CC(=O)c1ccc(N2CCN(C(=O)c3ccc(NC(=O)C4CC4)s3)CC2)c(F)c1 9979375 LVAJGVONWKUVFB-UHFFFAOYSA-N 415.490 3.401 0 40 HGAB COC(=O)c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc1 409173246 HWPHVLSZHURVAD-GZTJUZNOSA-N 410.451 3.457 0 40 HGAB Cc1ccc(C(=O)NCc2nnc(SCC(=O)Nc3ccccc3C)n2C)cc1 409345134 JZOPXDLWWXPYOZ-UHFFFAOYSA-N 409.515 3.093 0 40 HGAB CCCOc1ccccc1CCCNC(=O)CN(c1ccc(C)cc1)S(C)(=O)=O 22327899 JJNSDVRFQQYWSO-UHFFFAOYSA-N 418.559 3.299 0 40 HGAB COc1ccc([C@@H]2c3cc4c(cc3O[C@H](N3CCOCC3)[C@@H]2C)OCO4)c(OC)c1 31860801 NJSSNAKBDXXDTB-AUDZJJNUSA-N 413.470 3.251 0 40 HGAB CCc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)N2CCOCC2)cc1 409093629 ABHFNACLPPFMLD-UHFFFAOYSA-N 422.554 3.371 0 40 HGAB CCOCCCNS(=O)(=O)c1cc(C(=O)O)ccc1N[C@@H](C)c1ccccc1 217508226 HJSCUQLRTWGTPH-HNNXBMFYSA-N 406.504 3.263 0 40 HGAB CCC(=O)N1CCO[C@@](Cc2ccc(-c3cccs3)cc2)(C(=O)NC(C)C)C1 72389261 YIMVHUPTJWEDMD-JOCHJYFZSA-N 400.544 3.490 0 40 HGAB CN(C(=O)CN(c1cccc(Br)c1)S(C)(=O)=O)C1CCCCC1 38756286 AFKYLEWQGZXHMZ-UHFFFAOYSA-N 403.342 3.006 0 40 HGAB COc1ccccc1CCC(=O)N1CCC[C@@H](c2cc(C(F)F)n3ncnc3n2)C1 72395332 DNQUCKOHBGRWBO-OAHLLOKOSA-N 415.444 3.409 0 40 HGAB COc1ccc(-c2nnc(SCCCCC(=O)N(C)C)n2C[C@H]2CCCO2)cc1 521604605 NBHILKUOUZKVCU-GOSISDBHSA-N 418.563 3.483 0 40 HGAB CC(C)(C)C(=O)Nc1nnc(S(=O)(=O)NCCCc2ccccc2Cl)s1 224614053 SHUJNSWDBVPJDW-UHFFFAOYSA-N 416.956 3.087 0 40 HGAB CN(c1cccc(C(=O)Nc2ccc3c(c2)OCO3)c1)S(=O)(=O)c1ccccc1 222530398 VWQZNVLLLFGXPZ-UHFFFAOYSA-N 410.451 3.493 0 40 HGAB CCc1ccc(N(CC(=O)NCc2cc(CC)ccc2CC)S(C)(=O)=O)cc1 223320218 MYQSOASKXMZRNV-UHFFFAOYSA-N 402.560 3.456 0 40 HGAB CCc1cccc(CC)c1NC(=O)COc1ccc(S(=O)(=O)N(C)C)cc1C 223050809 LRBKKKUKOMPMSR-UHFFFAOYSA-N 404.532 3.388 0 40 HGAB CCOc1ccccc1CN(C)S(=O)(=O)c1ccc(OC)c(C(=O)NC(C)C)c1 223882173 ZMGGLVNRNKMWDC-UHFFFAOYSA-N 420.531 3.053 0 40 HGAB CC(C)(C)C(=O)Nc1nnc(S(=O)(=O)NCc2cccc(C(F)(F)F)c2)s1 225785580 RPZYTQLQCJXZOM-UHFFFAOYSA-N 422.454 3.020 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)N1CCc2ccccc21 225835064 KAKJTKRCOOVGDP-UHFFFAOYSA-N 414.527 3.002 0 40 HGAB O=CN(CCc1c[nH]c2ccccc12)C1(C(=O)NCCCn2ccnc2)CCCCC1 575443724 KPYCPWSKENDZJX-UHFFFAOYSA-N 421.545 3.275 0 40 HGAB CC[C@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CCc1ccc2c(c1)OCO2 223236098 NWRQHKOPSWFDTP-GOSISDBHSA-N 400.450 3.040 0 40 HGAB CCN(C(=O)CN1CC[C@@]2(CCCN2Cc2ccccc2)[C@@H](O)C1)c1cccc(C)c1 257286396 PLLMMVCPXRZNFT-AHWVRZQESA-N 421.585 3.449 0 40 HGAB CC1(C)Oc2ccccc2[C@@H]2O[C@@H]3CCN(C(=O)CN4CCCCCC4=O)[C@@H]3C[C@H]21 257317534 VKDZWGVEHCWFCK-MYJYVVNQSA-N 412.530 3.307 0 40 HGAB COc1ccc(Br)c(C(=O)N2CC(N3CCc4ccccc4C3)C2)c1 253471579 DHZDVGIRTLYQAO-UHFFFAOYSA-N 401.304 3.340 0 40 HGAB CO[C@H]1CC[C@H](C(=O)NCCn2ncc(-c3cnccn3)c2-c2cccs2)CC1 257207794 BJGSLTPEAVLNOO-WKILWMFISA-N 411.531 3.390 0 40 HGAB CCN(CC)CCNS(=O)(=O)c1cc(Cl)c(Cl)cc1Br 1184602877 MRCFPLPROVYZCH-UHFFFAOYSA-N 404.157 3.376 0 40 HGAB COc1ccc(Cl)cc1CSc1nnc(N2CCOCC2)n1C[C@H]1CCCO1 11765337 ZFHOZJFQXGOUGV-MRXNPFEDSA-N 424.954 3.248 0 40 HGAB CC1CCN(CC(=O)Nc2ccc(S(=O)(=O)N3[C@@H](C)CCC[C@@H]3C)cc2)CC1 12481577 AAHHGSGKVBCAHW-ROUUACIJSA-N 407.580 3.309 0 40 HGAB C[C@@H](OC(=O)CCCNC(=O)c1ccc(Cl)cc1)C(=O)N(C)Cc1ccccc1 12937937 LQNJVYNPMMUPSF-MRXNPFEDSA-N 416.905 3.440 0 40 HGAB CC[C@H](C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)OCc1ccc(C(N)=O)cc1 16762590 CPUHXQFBPFWNHL-UGSOOPFHSA-N 402.878 3.327 0 40 HGAB CNS(=O)(=O)c1ccc(CCC(=O)NCc2ccc(Cl)cc2Cl)cc1 17298092 WXMAXRFQTWPAPF-UHFFFAOYSA-N 401.315 3.151 0 40 HGAB C[C@@H](Oc1cccc(F)c1)C(=O)N1CC[C@@H](c2cc(O)nc(-c3ccccn3)n2)C1 19077631 SNESGIXLYNGAPG-HUUCEWRRSA-N 408.433 3.167 0 40 HGAB CN(C)C(=O)[C@]1(Cc2ccccc2-c2ccccc2)CCN(C(=O)[C@H]2CCCO2)C1 19579894 BOPXUIINDMAGTK-RDGATRHJSA-N 406.526 3.382 0 40 HGAB CN(Cc1ccccc1N1CCOCC1)C(=O)[C@]1(C)CC(c2ccccc2F)=NO1 19660927 APAULOUKJSRHBF-QHCPKHFHSA-N 411.477 3.204 0 40 HGAB CC(C)Cc1nc2ccccc2n1CC(=O)N1CCCN(Cc2ccccn2)CC1 19719105 YXPXKUITHNZACQ-UHFFFAOYSA-N 405.546 3.364 0 40 HGAB COc1cc(/C=C/C(=O)N(C)[C@H](C)c2ccc(-n3cncn3)cc2)cc2c1OCCO2 8349798 BPWYCXORGFQRAU-VCIFKONDSA-N 420.469 3.280 0 40 HGAB C[C@@]12CC[C@@H](C[C@H]1C(=O)NCCN1CCCCCC1)[C@]1(C2)NC(=O)c2ccccc2N1 257207599 BILHXFKOOIUVMI-IYNDAXALSA-N 424.589 3.357 0 40 HGAB CCSc1ccccc1C(=O)N1CCC(n2nc(C(F)(F)F)n(C)c2=O)CC1 575614719 CMGKPGNKMLKNKC-UHFFFAOYSA-N 414.453 3.190 0 40 HGAB CCS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)N1CC=C(c2ccccc2)CC1 31111384 IMRKAXCZJFBTRS-QFIPXVFZSA-N 410.539 3.079 0 40 HGAB Cc1ccc(S(=O)(=O)Nc2ccccc2NC(=O)c2ccncc2)cc1C(=O)O 40139100 XWROMPGGIFEBRH-UHFFFAOYSA-N 411.439 3.141 0 40 HGAB CC1(C)O[C@H]2CCCC(=O)NCc3ccccc3N(C(=O)c3cccnc3)C[C@H]2O1 2037958349 HDMDUSFKISWZCY-VQTJNVASSA-N 409.486 3.049 0 40 HGAB COc1ccc2cc(CCNC(=O)c3cccc(Br)c3)c(=O)[nH]c2c1 4032872 HGLXWKZUKFJYTE-UHFFFAOYSA-N 401.260 3.272 0 40 HGAB CCS(=O)(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1c1ccc(OC)c(OC)c1 4511560 ADERIMLZVBERPS-OAQYLSRUSA-N 421.515 3.018 0 40 HGAB CC(=O)Oc1ccc(N(C(C)=O)S(=O)(=O)c2ccc(Br)cc2)cc1 5610804 PLOQUGMHQQPYLY-UHFFFAOYSA-N 412.261 3.116 0 40 HGAB O=C(N[C@@]1(C(F)(F)F)N=C(O)N(c2ccc(F)cc2)C1=O)c1ccc(Cl)cc1 9087073 UIGDEZOOJGQVNV-MRXNPFEDSA-N 415.730 3.428 0 40 HGAB COc1ccc2nc(-c3cccc(NS(=O)(=O)c4ccc(C(C)=O)cc4)c3)cn2n1 12441308 JCMKXTGYTLXJPF-UHFFFAOYSA-N 422.466 3.408 0 40 HGAB O=C(c1ccc(Br)cc1)N1CCC(Cn2nc3c(cc2=O)CCC3)CC1 1775968200 QSXNEFDCIVKILN-UHFFFAOYSA-N 416.319 3.047 0 40 HGAB CCCCc1ccc(NC(=O)c2c3c(nn2[C@@H]2CCS(=O)(=O)C2)CCC3)cc1 585188760 OSHSTNNTWULOQS-QGZVFWFLSA-N 401.532 3.326 0 40 HGAB COC[C@H](C)n1c(S[C@H](C)c2nnnn2-c2ccccc2)nc2ccccc2c1=O 40127255 CMDUUTFLHTZKSB-LSDHHAIUSA-N 422.514 3.433 0 40 HGAB CCc1nnc(NC(=O)Cc2ccc(NS(=O)(=O)c3cccs3)cc2)s1 30604833 GKHVEJGCXCHGKA-UHFFFAOYSA-N 408.530 3.144 0 40 HGAB O=C(Nc1ccc(Cn2cncn2)cc1)[C@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1 32092381 LTCOTZPQHOFQQF-AWEZNQCLSA-N 413.840 3.111 0 40 HGAB O=C(NCC1(N2CCOCC2)CCCCC1)c1ccc(NC(=O)c2ccco2)cc1 20938022 KHRUSPPOCYIMDL-UHFFFAOYSA-N 411.502 3.297 0 40 HGAB COc1ccc(COC(=O)c2ccccc2S[C@H]2CCS(=O)(=O)C2)cc1F 32745489 RSCKMVKCJCOSQE-AWEZNQCLSA-N 410.488 3.471 0 40 HGAB COc1c(C)cc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)cc1C 1431565 GLGOHPJPGHRTTJ-SFHVURJKSA-N 406.479 3.243 0 40 HGAB O=C([C@@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1)N1CCN(c2ccccc2F)CC1 2964657 VSSLALQRQYGYEJ-CQSZACIVSA-N 419.859 3.320 0 40 HGAB Cc1nn(-c2ccccc2)c2sc(C(=O)OCC(=O)N3C[C@H](C)O[C@@H](C)C3)cc12 3229192 CXRDSAMNKYXIPS-KBPBESRZSA-N 413.499 3.188 0 40 HGAB Cc1cccc(OCc2nnc(SCC(=O)N3CC(=O)Nc4ccccc43)o2)c1 3442439 HGVKJSGEDVXXMK-UHFFFAOYSA-N 410.455 3.034 0 40 HGAB COc1ccc(CCNC(=O)COC(=O)c2ccc(C(=O)c3ccccc3)cc2)cc1 3489198 CEZRRVGHTYYUDE-UHFFFAOYSA-N 417.461 3.442 0 40 HGAB C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccco3)o2)cc1 4264620 CYTYQVPACRJHSZ-CYBMUJFWSA-N 416.459 3.145 0 40 HGAB CCn1c(COc2ccccc2)nnc1S[C@@H](C)C(=O)Nc1nnc(C)s1 4736428 ZICNBVBFBSTHGJ-NSHDSACASA-N 404.521 3.156 0 40 HGAB CNCCN1C(=O)[C@H](OC(C)=O)[C@H](c2ccc(OC)cc2)Sc2ccccc21 5166438 YOMLDISQSWWYOT-UXHICEINSA-N 400.500 3.026 0 40 HGAB biogenic,world CCCCn1nc(C(=O)NCC(=O)Nc2c(C)cccc2C)c2ccccc2c1=O 5172918 YNTPFZXOKWXHMR-UHFFFAOYSA-N 406.486 3.182 0 40 HGAB CCN(C(=O)CSc1cc(C)c2cc(C)cc(C)c2n1)[C@H]1CCS(=O)(=O)C1 5895631 SZDODCRKYPINDO-INIZCTEOSA-N 406.573 3.288 0 40 HGAB NC(=O)c1ccccc1NC(=S)NC(=O)c1cccc(COc2ccccc2)c1 6393089 ZXKZTOVXPCLLCP-UHFFFAOYSA-N 405.479 3.491 0 40 HGAB C[C@@H](NS(=O)(=O)c1ccc(OCC(=O)NC2CC2)c(Cl)c1)c1ccccc1 6416526 LTJIUCCWFBDIFC-CYBMUJFWSA-N 408.907 3.037 0 40 HGAB CCc1ccc(O[C@H](C)C(=O)N(Cc2ccc(C)o2)[C@@H]2CCS(=O)(=O)C2)cc1 6810371 VNZMDSVRMPKKCU-SJLPKXTDSA-N 405.516 3.134 0 40 HGAB Cc1cccc(OCC(=O)N(Cc2ccccc2F)[C@@H]2CCS(=O)(=O)C2)c1C 6811072 QMQKBCFTFCURHS-GOSISDBHSA-N 405.491 3.037 0 40 HGAB CCCc1nnc(S/C(=C\c2cc(Br)c(O)c(OC)c2)C(=O)O)[nH]1 7342249 WJEOXKHVGFSCAL-XFFZJAGNSA-N 414.281 3.452 0 40 HGAB CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C)c1ccc(-n2ccnc2)cc1 7988552 ZIFLTYDBOGEVIP-WAIKUNEKSA-N 415.497 3.278 0 40 HGAB COc1ccc(NC(=O)CN(C)CC(=O)Nc2ccc(C)cc2Br)cc1 8093169 VHBLWLBNWXBLMG-UHFFFAOYSA-N 420.307 3.275 0 40 HGAB Cc1nc2scc(C)n2c(=O)c1S(=O)(=O)Nc1cccc(C(F)(F)F)c1 8594326 WCHSYYWYGRBQMA-UHFFFAOYSA-N 403.407 3.192 0 40 HGAB O=C1N=C(O)/C(=C2\C[C@@H](c3c[nH]c4ccccc34)NN2)C(=O)N1c1ccc(F)cc1 8770508 BJHHAILVZSQEOI-QCPHZMBFSA-N 405.389 3.223 0 40 HGAB COC(=O)[C@H](NC(=O)[C@H](CCSC)NC(=O)C1CCC(C(C)C)CC1)C(C)C 9195374 UNDRKYUJVWENLP-ZGUYJTEBSA-N 414.612 3.001 0 40 HGAB CCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)COc2ccc(Cl)cc2Cl)n1 9660351 MOZVVZMJVLFBNX-UHFFFAOYSA-N 422.272 3.151 0 40 HGAB C[C@H](OC(=O)c1cc(=O)[nH]c2ccccc12)C(=O)Nc1ncc(Cl)cc1Cl 11459936 CYRKBZJMCWOKIT-VIFPVBQESA-N 406.225 3.414 0 40 HGAB CCOc1ccc([C@@H](O)CN2CCC3(CC2)C[C@@H](O)c2cc(OC)ccc2O3)cc1 12293665 GFTZFYRDDBMVNZ-YADHBBJMSA-N 413.514 3.478 0 40 HGAB COc1ccc(C(=O)C2CCN(CC(=O)Nc3ccc(OC)cc3OC)CC2)cc1 12471837 UAHFYDHCIMBFCW-UHFFFAOYSA-N 412.486 3.246 0 40 HGAB O=C(Nc1nnc(CCc2ccccc2)s1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 12857906 YGLIVUOZFFZHGZ-OAHLLOKOSA-N 410.474 3.454 0 40 HGAB Cn1ccc(NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)OCc2ccccc2)n1 12982299 CHIDVIGRVBXIEV-HXUWFJFHSA-N 417.469 3.378 0 40 HGAB COc1ccc(Br)cc1CN(C)C(=O)NC[C@@H]1COc2ccccc2O1 12987424 RFFHMOAPADUQHH-OAHLLOKOSA-N 421.291 3.439 0 40 HGAB CCCCC(=O)N1CCC[C@@H](c2nc(O)c3nnn(Cc4ccc(C)cc4)c3n2)C1 13083401 YEBCZVAZCYIFNI-QGZVFWFLSA-N 408.506 3.180 0 40 HGAB CC(C)c1nc2sc3c(N(C[C@H](C)O)C[C@@H](C)O)ncnc3c2c2c1CCC2 13770897 TWTISTKJPQLOLC-BETUJISGSA-N 400.548 3.420 0 40 HGAB C[C@@H](NC(=O)Cc1cccc2ccccc12)C(=O)Nc1cccc(C(=O)NC2CC2)c1 14136316 DSNMOXFOYUQHRV-MRXNPFEDSA-N 415.493 3.418 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCC[C@@H]2CC(=O)Nc2ccccc2F)cc1 15391129 WGERVVLPSYHYJZ-OAHLLOKOSA-N 406.479 3.406 0 40 HGAB COc1ccc(OC)c(Nc2nn3c(=O)c4cc(OC)c(OC)cc4nc3s2)c1 16944515 ANZZCDCJBQTMEP-UHFFFAOYSA-N 414.443 3.082 0 40 HGAB COc1ccc2c(c1OC)C(=O)N(c1n[nH]c3nc(C(F)(F)F)cc(C)c13)C2=O 17083350 XPYPWRSVVGIKKM-UHFFFAOYSA-N 406.320 3.103 0 40 HGAB Cc1ccc(C(C)C)c(OCCNC(=O)CN2C(=O)N[C@]3(CCCC[C@@H]3C)C2=O)c1 19134363 RFVYAHAEOWIJMR-SBUREZEXSA-N 415.534 3.114 0 40 HGAB Cc1cccnc1[C@H](Cc1ccsc1)NS(=O)(=O)c1ccc2[nH]c(=O)oc2c1 19237673 XCUQGZTXJGGSNH-INIZCTEOSA-N 415.496 3.148 0 40 HGAB O=c1[nH]c(-c2ccccn2)nc2c1CCN(Cc1ccccc1C(F)(F)F)CC2 19349420 MYXLMDDPQCLZNJ-UHFFFAOYSA-N 400.404 3.452 0 40 HGAB CC1(C)Cc2nc(N3CCCC3)ncc2[C@H](NC(=O)Cc2ccc3c(c2)OCO3)C1 19461403 GTKGQIMICSCWID-QGZVFWFLSA-N 408.502 3.178 0 40 HGAB CC(C)NC(=O)[C@]1(Cc2ccccc2-c2cncnc2)CCCN(C(=O)[C@@H]2C[C@@H]2C)C1 19463117 NLHJBEISMOKLKT-FKRCVWNDSA-N 420.557 3.476 0 40 HGAB CCOC(=O)c1[nH]c(C)c(CN2CCC(c3cc(N)n4nc(C)cc4n3)CC2)c1C 19530671 FITFNWGITNKLEK-UHFFFAOYSA-N 410.522 3.121 0 40 HGAB CC(=O)NCc1ccc(-c2ccc(C(=O)NC[C@@H]3Cc4ccccc4O3)c(C)n2)cc1 19700533 PKETXCQQIWWALR-NRFANRHFSA-N 415.493 3.427 0 40 HGAB Cc1cccnc1CNC(=O)c1ccc([C@H]2CCCN(Cc3ccccn3)C2)nc1 19752754 JUKNPXLTVGMJJA-FQEVSTJZSA-N 401.514 3.490 0 40 HGAB Nc1nc(N2CCCC2)nc2c1[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)CC(=O)N2 19819994 LNTCNFKDGIKNDW-SNVBAGLBSA-N 421.288 3.030 0 40 HGAB CCCCN1C(=O)[C@H](CC(=O)Nc2ccc3c(c2)OCO3)n2c1nc1ccccc12 20717714 PQOKRJADCFIRBM-KRWDZBQOSA-N 406.442 3.482 0 40 HGAB COC(=O)c1ccc(OCC(=O)N2c3ccccc3NC(=O)C[C@H]2C(F)(F)F)cc1 21317533 VXCLFSJDJHYKTA-INIZCTEOSA-N 422.359 3.158 0 40 HGAB O=C(c1ccc(O)c(Cl)c1)N1CCN(Cc2nc(-c3cccs3)no2)CC1 22226913 WMUNCTRUHBQQOO-UHFFFAOYSA-N 404.879 3.115 0 40 HGAB CC[C@H](C(=O)N1CCN(c2ccc3nnc(-c4ccco4)n3n2)CC1)c1ccccc1 23135474 CGDRKWXICWPMIS-SFHVURJKSA-N 416.485 3.227 0 40 HGAB COc1ccccc1CN(C)C(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1C 23594187 UOWVBVSYRPDFDC-UHFFFAOYSA-N 402.516 3.060 0 40 HGAB CCOC(=O)c1ccc(NC(=O)CS[C@H](CC(=O)c2ccccc2)C(=O)O)cc1 28294969 ZVBUQAWOEQPKAN-GOSISDBHSA-N 415.467 3.261 0 40 HGAB COc1ccc2nc(C)c(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)cc2c1 29893628 QMYYCNDXLXCFCQ-UHFFFAOYSA-N 419.481 3.239 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCC[C@H]4CCCC[C@@H]43)C2)cc1 34863423 QAENJEYBKMBRFV-LQWHRVPQSA-N 420.575 3.277 0 40 HGAB CCCCn1c(=O)c2sccc2n2c(CCC(=O)NCc3ccc(C)cc3)nnc12 35528745 ZLBRVNBFYJHKDA-UHFFFAOYSA-N 423.542 3.463 0 40 HGAB O=C([C@H](c1ccccc1)N1CCC[C@H]1c1ccc2c(c1)OCCO2)N1CCOCC1 36447628 FNNGHTLITBJVNC-REWPJTCUSA-N 408.498 3.195 0 40 HGAB CC[C@@H](C)[C@@H](NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccccc1Cl)C(=O)OC 36580073 WAIWNQSLJFUOKC-NJAPINKUSA-N 404.898 3.308 0 40 HGAB Cc1nc2ccccc2n1CC1CCN(CC(=O)c2ccc3c(c2)NC(=O)CO3)CC1 38535798 AKXUYVLCDGZQDL-UHFFFAOYSA-N 418.497 3.271 0 40 HGAB Cc1nn2c(=O)cc(CSc3nncn3-c3ccc(C)c(Cl)c3)nc2s1 40119302 XCIHHMBQXIOXMB-UHFFFAOYSA-N 404.908 3.294 0 40 HGAB NC(=O)N[C@H](CC(=O)NCc1cccnc1Oc1cccc(F)c1)c1ccccc1 43050322 HFTMCGFOJAOAKT-LJQANCHMSA-N 408.433 3.429 0 40 HGAB C[C@@H](NC(=O)C1CCN(Cc2ccccc2F)CC1)c1ccc(S(C)(=O)=O)cc1 44857138 SGPVUIMXCNGYDX-MRXNPFEDSA-N 418.534 3.319 0 40 HGAB CC[C@H]1c2ccsc2CCN1C(=O)NCC[C@](O)(c1nccn1C)C(F)(F)F 45716790 HYZFJKVQECPORV-GUYCJALGSA-N 416.469 3.341 0 40 HGAB Cc1nc(CSCCC(=O)Nc2ccc(CN3CCN(C)CC3)cc2)cs1 46934097 AGLMWOQNIRJHJL-UHFFFAOYSA-N 404.605 3.461 0 40 HGAB COc1ccccc1Nc1nc2sc(C(=O)N[C@@H]3CCS(=O)(=O)C3)cc2s1 48344052 XXVVDAURPQUJTF-SNVBAGLBSA-N 423.541 3.027 0 40 HGAB COc1ccccc1CNC(=O)c1nnn(-c2ccccc2F)c1-c1cccnc1 49003718 ARDKOKZWHBMNSR-UHFFFAOYSA-N 403.417 3.407 0 40 HGAB CC[C@]1(c2ccccc2)NC(=O)N(Cc2cc(=O)oc3cc(NC(C)=O)ccc23)C1=O 49579054 GKSLKIQMQPSJPL-HSZRJFAPSA-N 419.437 3.109 0 40 HGAB CN(C(=O)Cn1c(=O)n(Cc2ccc(F)cc2)c(=O)c2ccccc21)c1ccccc1 51357821 GUQACIMVURXCCY-UHFFFAOYSA-N 417.440 3.014 0 40 HGAB CCNC(=O)c1ccc(Cl)cc1NCC(=O)N1c2ccccc2NC(=O)C[C@@H]1C 55874434 RETOQIQBTUTIIG-ZDUSSCGKSA-N 414.893 3.266 0 40 HGAB CC(=O)Nc1ccc(S(=O)(=O)N(C)c2ccc(Br)cc2F)cc1 57014513 JDHMEACXALHYFX-UHFFFAOYSA-N 401.257 3.372 0 40 HGAB CCC(C)(C)C1CCC2(CC1)NC(=O)N(C[C@H](O)CN(C)Cc1ccccc1)C2=O 58167327 BVCLBYHIMDQNRW-ITGJCUMNSA-N 415.578 3.396 0 40 HGAB CCc1noc([C@H](C)N2CCN(S(=O)(=O)c3c(C)c(C)c(C)c(C)c3C)CC2)n1 58646968 QUOKEOIFKMHWEV-SFHVURJKSA-N 420.579 3.242 0 40 HGAB CC(C)Cn1nc(C(=O)NC(C)(C)c2ccc3c(c2)OCO3)c2ccccc2c1=O 64314340 XLPZOLPWSLRTPN-UHFFFAOYSA-N 407.470 3.446 0 40 HGAB C[C@@H]1CCCN(c2nc3ncn(CC(=O)Nc4cc(F)ccc4F)c(=O)c3s2)C1 67226240 VDYAPJJYEMSTGM-LLVKDONJSA-N 419.457 3.006 0 40 HGAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)CCCOc2ccc(OC)cc2)c1 68734670 WVLJLJBLGUBLDE-UHFFFAOYSA-N 401.415 3.066 0 40 HGAB CNc1nc([C@@H]2CCCCN2C(=O)CCc2ccccc2)nc2c1CN(C(C)=O)CC2 72380125 VFZHAMNTOOZGGR-NRFANRHFSA-N 421.545 3.109 0 40 HGAB O=C(C1CCN(c2ccc3cccc(Br)c3n2)CC1)N1CCOCC1 79092158 UCLMFVGLHFNUNX-UHFFFAOYSA-N 404.308 3.073 0 40 HGAB O=C(CCc1nc2ncc(Br)cc2[nH]1)NCCc1c[nH]c2ccccc12 79495074 RYFLBLDIZGMMTC-UHFFFAOYSA-N 412.291 3.493 0 40 HGAB C[C@@H]1[C@@H](c2ccc(Br)cc2)OCCN1C(=O)CNC(=O)C1CCCC1 95441529 IEKVMEXETGENCM-ACJLOTCBSA-N 409.324 3.044 0 40 HGAB COC(=O)[C@@H]1CCCCN1CC(=O)Nc1cc(C2CCCC2)nn1-c1ccccc1 95469864 CUMQWWKJNZOUFO-FQEVSTJZSA-N 410.518 3.496 0 40 HGAB COc1nn(Cc2cc(O)n3ncc(-c4ccc(C)cc4)c3n2)c(=O)c2ccccc12 100223691 DNCYMSZEQIUUNN-UHFFFAOYSA-N 413.437 3.177 0 40 HGAB CCCc1nnc(NC(=O)c2ccc(N3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4C3)cc2)s1 100634427 QBMURMMHTCJFHE-PYTWLRIVSA-N 408.483 3.054 0 40 HGAB Cc1cccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)cc2)c1 136286141 AZVXYIZSOFZYGE-PMACEKPBSA-N 418.449 3.246 0 40 HGAB CSc1cccc(N(CC(=O)N[C@@H](C)COc2ccc(C)cc2)S(C)(=O)=O)c1 220075019 XMXHEOYTLRAGHI-INIZCTEOSA-N 422.572 3.067 0 40 HGAB COc1ccccc1N(CCCC(=O)NCCCc1ccc(F)cc1)S(C)(=O)=O 222583780 ZKMWQJQDCPBLNF-UHFFFAOYSA-N 422.522 3.130 0 40 HGAB CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(OC)cc1 223727008 YJLJWDLMEITJFG-HNNXBMFYSA-N 404.894 3.281 0 40 HGAB CCS(=O)(=O)Nc1ccc(C(=O)NCc2cccc(CN3CCCCC3)c2)cc1 224669782 UDTQCIGIIDXFEB-UHFFFAOYSA-N 415.559 3.364 0 40 HGAB CCC(=O)N1CCc2cc(S(=O)(=O)N[C@H](C)COc3ccc(C)c(C)c3)ccc21 224694548 FZYDOGOXJJPUIW-QGZVFWFLSA-N 416.543 3.348 0 40 HGAB CCc1ccc(N(CCCC(=O)NCCOc2ccc(F)cc2)S(C)(=O)=O)cc1 224748082 YRVOFLFQVNLDIK-UHFFFAOYSA-N 422.522 3.130 0 40 HGAB C[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N[C@@H]1CCCc2ccccc21 225583793 WAXPBRAGIVZXMD-FOIQADDNSA-N 402.516 3.044 0 40 HGAB CC(C)n1c(=O)sc2cc(S(=O)(=O)N[C@@H](C)COc3ccccc3)ccc21 225718882 LFMZCHBCPSBGGH-AWEZNQCLSA-N 406.529 3.390 0 40 HGAB O=C(NC1CCN(c2cc(C(F)(F)F)ncn2)CC1)c1cc2ccccc2oc1=O 225723368 YTESFTIRZVZDEJ-UHFFFAOYSA-N 418.375 3.001 0 40 HGAB COc1ccc(N2CC[C@@](C)(C(=O)Nc3ccc(OC)c(Cl)c3)S2(=O)=O)cc1 225950301 CJOGXVCTRRGASO-IBGZPJMESA-N 424.906 3.295 0 40 HGAB CN1C[C@@H](C(=O)Nc2cccc(F)c2)C[C@H]1C1CCN(C(=O)c2ccncc2)CC1 248145502 RRGQNNGSPXJTOA-RXVVDRJESA-N 410.493 3.032 0 40 HGAB O=C(c1cn2cccnc2n1)N1CCO[C@H](c2cccc(-c3cccc(F)c3)n2)C1 257232090 GJJHIWYDPYHQCV-FQEVSTJZSA-N 403.417 3.144 0 40 HGAB Cc1cccc(Nc2cncc(C3CCN(S(=O)(=O)c4ccccc4)CC3)n2)n1 257265681 LZVIAKXOTGOHLO-UHFFFAOYSA-N 409.515 3.492 0 40 HGAB COc1ccccc1C(=O)N1CCC[C@@](COc2ccc(F)cc2)(CC(N)=O)C1 257290219 QCBKEPRMTHWKBI-JOCHJYFZSA-N 400.450 3.011 0 40 HGAB Cc1cccc(C)c1N(Cc1ccc(C(=O)NC[C@H]2CCCO2)cc1)S(C)(=O)=O 260793330 ILWKYEXZQSDMPN-HXUWFJFHSA-N 416.543 3.178 0 40 HGAB CC1=CC[C@@H]2C(=O)N(c3cccc(C(=O)Nc4ccc(C(=O)O)cc4)c3)C(=O)[C@H]2C1 408684288 OQKFZJVGZYSRKJ-OALUTQOASA-N 404.422 3.483 0 40 HGAB O=C(NCC[C@@H](CCO)c1ccsc1)C(=O)Nc1ccc(OC(F)(F)F)cc1 575607423 LMZPWJMSPSBUDZ-LBPRGKRZSA-N 416.421 3.258 0 40 HGAB COc1cc(OC)cc(C(=O)N2CCC3(CC2)CO[C@H](CN2CCC[C@H](C)C2)C3)c1 585104885 VVCICVFJPCKLQH-AVRDEDQJSA-N 416.562 3.447 0 40 HGAB C[C@H]1CCc2c(sc3nc(CN4CC[C@@]5(C4)C(=O)Nc4ccccc45)nc(N)c23)C1 681699364 SRIXZGOIQHDFSM-NPMABZOXSA-N 419.554 3.494 0 40 HGAB C[C@H](Oc1ccc(F)cc1)C(=O)N1CCC(n2nc(C(C)(C)C)ccc2=O)CC1 1775995100 BRNXXXVURANWLB-HNNXBMFYSA-N 401.482 3.311 0 40 HGAB Cc1nc(-c2ccccc2F)sc1C(=O)N1C[C@@H]2CN(c3cnccn3)C[C@H]2C1 1888918231 DNYKLYLNQSSLLR-GJZGRUSLSA-N 409.490 3.256 0 40 HGAB COc1ccc(-c2coc3cc(O[C@H](C)C(=O)O[C@H](C)C(=O)O)ccc3c2=O)cc1 2060993727 GATVNPXCOWVCRX-CHWSQXEVSA-N 412.394 3.252 0 40 HGAB CC(C)(C)[C@@H]1CCc2c(sc3nnn(CC(=O)NCCc4ccccc4)c(=O)c23)C1 1321050 FTEKWVJGSRRQIA-MRXNPFEDSA-N 424.570 3.363 0 40 HGAB CCC(=O)NC(=S)Nc1ccc(NC(=S)NC(=O)/C=C/c2ccco2)cc1 2265430 YXJYLVLAUOEMIU-MDZDMXLPSA-N 402.501 3.029 0 40 HGAB O=C(CSc1nc(-c2ccccc2Br)n[nH]1)NC(=O)NC1CCCC1 2663201 ICQXAFOKVAKSDG-UHFFFAOYSA-N 424.324 3.095 0 40 HGAB NS(=O)(=O)c1ccc(CCNC(=O)c2cc(-c3ccco3)nc3ccccc23)cc1 3217204 STHPCXCHUMTINI-UHFFFAOYSA-N 421.478 3.115 0 40 HGAB Cc1nnc(SCC(=O)c2cc(C)n(C[C@@H]3COc4ccccc4O3)c2C)n1C 3415500 VEXFZZOGWGKYJO-MRXNPFEDSA-N 412.515 3.357 0 40 HGAB CCOC(=O)C1(c2ccccc2)CCN(CC(=O)Nc2ccc(C(C)=O)cc2)CC1 4577155 WVVICIOKISCJMM-UHFFFAOYSA-N 408.498 3.425 0 40 HGAB COCCn1c(SCC(=O)Nc2cccc(OC)c2)nnc1-c1ccoc1C 4860532 GBZUFKUHUHINED-UHFFFAOYSA-N 402.476 3.232 0 40 HGAB O=C(CSc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1)NCC1CCCCC1 5129839 IBYHAPHJXQNPAD-KRWDZBQOSA-N 415.559 3.364 0 40 HGAB CCCC(=O)N1CCC[C@@H](c2nc(O)c3nnn(Cc4cc(C)ccc4C)c3n2)C1 5642776 YBEKTLIEKMIFNY-MRXNPFEDSA-N 408.506 3.098 0 40 HGAB CCOC(=O)[C@@H](C)Sc1nnc(CNC(=O)C23CC4CC(CC(C4)C2)C3)n1CC 6356706 ZMJRHQVMJUVRRR-BUBBNXEVSA-N 420.579 3.174 0 40 HGAB C[C@H](SCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)C(=O)NCc1ccco1 6651402 VGDUYBOQSCJBCN-NSHDSACASA-N 403.529 3.395 0 40 HGAB Cc1cccc(OCC(=O)N(Cc2ccccc2F)[C@H]2CCS(=O)(=O)C2)c1C 6811073 QMQKBCFTFCURHS-SFHVURJKSA-N 405.491 3.037 0 40 HGAB O=C(Nc1ccc(F)cc1F)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 7669771 ZHRHRMSFFHWSJW-INIZCTEOSA-N 400.834 3.410 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2cccc(N3CCCC3=O)c2)cc1 8071303 YZQUTVQPIPOJSS-UHFFFAOYSA-N 415.515 3.096 0 40 HGAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CSc1nncn1-c1ccccc1F 8133501 ONPBTFFJJKDTRB-CYBMUJFWSA-N 411.462 3.262 0 40 HGAB CS(=O)(=O)c1ccc(-c2cccc(NC(=O)Cc3ccc(Cl)cc3)c2)nn1 9626621 NKETWZORLMUZEY-UHFFFAOYSA-N 401.875 3.382 0 40 HGAB CN(CC(=O)NC(C)(C)C)C(=O)COC(=O)c1c(Cl)ccc(Cl)c1Cl 11495649 XFCHKBMIUWYXDN-UHFFFAOYSA-N 409.697 3.177 0 40 HGAB COc1ccc(OC)c(NC(=O)C[C@H]2CCCCN2S(=O)(=O)c2ccccc2)c1 11612515 GQEMECIZNFQTIV-MRXNPFEDSA-N 418.515 3.276 0 40 HGAB Cc1nnc(NC(=O)CSc2nnc(-c3ccc(Br)cc3)o2)s1 11651914 PULUSCKQJHCELJ-UHFFFAOYSA-N 412.294 3.390 0 40 HGAB CC[C@H](C)[C@H](C(=O)OCc1cccc(C(=O)OC)c1)N1C(=O)c2ccccc2C1=O 12764783 KFGAQDSOZDQRLU-IFXJQAMLSA-N 409.438 3.227 0 40 HGAB COC(=O)c1sccc1S(=O)(=O)N1CCC[C@@H]1c1ccc(OC)c(OC)c1 12825557 ISJIBHFSAUPKDD-CYBMUJFWSA-N 411.501 3.078 0 40 HGAB Cc1ccccc1CNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 12926146 MUJGRRRVBSKJCR-UHFFFAOYSA-N 412.555 3.201 0 40 HGAB O=C(Nc1cccc(Br)c1)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 12938623 SIJVJOKYOHEMSU-LBPRGKRZSA-N 417.259 3.212 0 40 HGAB O=C(Cc1n[nH]c(=O)c2ccccc12)Nc1ncc(Cc2ccc(F)c(F)c2)s1 13000183 GDCIHNWBIRNUAB-UHFFFAOYSA-N 412.421 3.430 0 40 HGAB COc1ccc([C@@H]2CC(=O)c3cc(C(=O)Nc4cccc(O)c4)c(=O)[nH]c3C2)cc1 13363492 WCCZJEJPNCODQX-AWEZNQCLSA-N 404.422 3.254 0 40 HGAB COc1ccc2nc(CN(CCCN3CCOCC3)Cc3cccnc3)ccc2c1 13569054 VAVWIGCCZAEOGW-UHFFFAOYSA-N 406.530 3.363 0 40 HGAB COc1ccc(C(=O)N2CCCCCC2)cc1S(=O)(=O)NCCc1ccccc1 13581900 PQYMBVBMXUAQQA-UHFFFAOYSA-N 416.543 3.232 0 40 HGAB CC(C)c1ccc(NC(=O)c2nn([C@@H]3CCS(=O)(=O)C3)c3c2CCCC3)cc1 13719255 MFCDFQBBKZDKRE-QGZVFWFLSA-N 401.532 3.497 0 40 HGAB CC1CCN(Cc2csc(NC(=O)CCc3nc4ccccc4c(=O)[nH]3)n2)CC1 14526039 AVTYJCRLEZHXMH-UHFFFAOYSA-N 411.531 3.183 0 40 HGAB COc1ccc(C)cc1CN(C)S(=O)(=O)c1ccc2c(c1)CCCN2C(C)=O 15365651 FKWOVSRGKZZXFS-UHFFFAOYSA-N 402.516 3.123 0 40 HGAB CC(C)(C)c1ccc(O)c(NC(=O)CNC(=O)c2ccc(N3CCCC3=O)cc2)c1 17361107 GXRDZNADBDOBEP-UHFFFAOYSA-N 409.486 3.185 0 40 HGAB CCOC(=O)N1CCC(C(=O)NCCNc2ncc(C(F)(F)F)cc2Cl)CC1 18215799 SZZFVOVDRVVJLG-UHFFFAOYSA-N 422.835 3.150 0 40 HGAB Cc1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](C1CCN(C(=O)C[C@@H]3CCCO3)CC1)N2 19128603 QAVGQEWGQQNBAU-HRCADAONSA-N 400.445 3.287 0 40 HGAB COc1ccc(N2C[C@H](C(=O)N3CCC[C@H]3c3ccc(OC)cc3OC)CC2=O)cc1 19556333 DKAZKJJIPOHSFM-IERDGZPVSA-N 424.497 3.429 0 40 HGAB Cc1sc2ncn(CC3(O)CCN(Cc4ccc(F)cc4F)CC3)c(=O)c2c1C 19561552 MCQPQEWCSSVDEU-UHFFFAOYSA-N 419.497 3.380 0 40 HGAB CNC(=O)C1(Cc2cccc(-c3cncnc3)c2)CCN(C(=O)c2ccccc2)CC1 19700405 BTUHLMDFTQPSMN-UHFFFAOYSA-N 414.509 3.355 0 40 HGAB Cc1cc(C)n(CC(=O)N2CCC[C@H](N(C)C(=O)c3nccc4ccccc34)CC2)n1 19749716 ODUCFAFARVICFE-FQEVSTJZSA-N 419.529 3.201 0 40 HGAB CSc1ccc([C@H](C)NC(=O)CCc2ccc(S(=O)(=O)N(C)C)cc2)cc1 20024430 PDAYHOHZWCRBFX-HNNXBMFYSA-N 406.573 3.469 0 40 HGAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1cc(NS(C)(=O)=O)ccc1Cl 20457132 XVIQOUBJSZXBAO-LBPRGKRZSA-N 423.922 3.492 0 40 HGAB CCc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCCN2CCOCC2)cc1 20902845 POKUESGCUSOYAZ-UHFFFAOYSA-N 404.514 3.164 0 40 HGAB CCCCn1c(CCC(=O)N[C@H](C)C(C)C)nc2cc(S(=O)(=O)N(C)C)ccc21 21871863 WNDHVYKANBFUSR-MRXNPFEDSA-N 422.595 3.180 0 40 HGAB Cc1ccc(CN2C[C@@H](C(=O)Nc3nc(CN4CCCCC4)cs3)CC2=O)cc1 22238199 SGIVTTMZTUDHNQ-SFHVURJKSA-N 412.559 3.425 0 40 HGAB CC(=O)Nc1ccc(NC(=O)CN2C(=O)COc3ccc(Cl)cc32)cc1Cl 23463747 KEPTVARDPHSUTP-UHFFFAOYSA-N 408.241 3.316 0 40 HGAB COC(=O)c1cc(NC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)cc(C(=O)OC)c1 24759825 PFUALUPSGMWRSQ-IBGZPJMESA-N 413.426 3.070 0 40 HGAB CN(Cc1nnc(C(=O)Nc2ccc(F)cc2)s1)C[C@H]1COc2ccccc2O1 31185280 ARHYFFPVYKUANI-HNNXBMFYSA-N 414.462 3.201 0 40 HGAB Cc1ccccc1[C@@H](CC(=O)NCc1c(C)nn(-c2ccccc2)c1C)NC(N)=O 32796359 QOWYKPQFYIYHQJ-OAQYLSRUSA-N 405.502 3.213 0 40 HGAB O=C(CCNC(=O)c1ccsc1)Nc1nc2cc3c(cc2s1)OCCCO3 32848617 GECCOKIWYXURAU-UHFFFAOYSA-N 403.485 3.278 0 40 HGAB COc1ccc(OC)c(NC(=O)CSc2nc(CN(C)C)nc3ccccc23)c1 32865927 OCNFMGDFUJCVHV-UHFFFAOYSA-N 412.515 3.439 0 40 HGAB O=C1C[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(OC(F)F)c(Cc2ccccc2)c1 32912745 VWGSRQVXKWYZON-RDJZCZTQSA-N 407.438 3.029 0 40 HGAB CC(C)CC[C@H](C)NC(=O)COC(=O)c1ccccc1SCC(=O)N1CCCC1 36784390 QFAVWGIOMYPICF-KRWDZBQOSA-N 420.575 3.499 0 40 HGAB CN1C(=O)CCc2cc(NS(=O)(=O)c3ccc(OC(F)(F)F)cc3)ccc21 38706761 YYYQMPVBKTVPFJ-UHFFFAOYSA-N 400.378 3.295 0 40 HGAB C/C=C/C=C/C(=O)OCC(=O)Nc1ccccc1S(=O)(=O)N(C)C1CCCCC1 39587001 UFTORBVZZRIQET-HPZPYXEMSA-N 420.531 3.254 0 40 HGAB CS(=O)(=O)c1ccc(NC(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)cc1 40478306 LQGUZFMEMPFOBE-UHFFFAOYSA-N 420.288 3.495 0 40 HGAB Cn1c(CN2C(=O)N[C@@](C)(c3cc(F)ccc3F)C2=O)nc2cc(Cl)ccc21 47354041 IYVQZEXBSRHAGJ-IBGZPJMESA-N 404.804 3.472 0 40 HGAB CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)N[C@H](Cn2ccnc2)C(C)(C)C)cc1 48265008 YOAQGXRLCQNWEG-GOSISDBHSA-N 421.567 3.148 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc2nnc(SCc3cc(F)ccc3OC)n2c1 48325483 LQNWDIQPNZTXRQ-UHFFFAOYSA-N 424.523 3.200 0 40 HGAB Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N2CCC[C@@H]2c2ccsc2)CC1 48332278 FQIFIQGORKKMIF-QGZVFWFLSA-N 423.560 3.117 0 40 HGAB CC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1 52412254 HPBRPNHPKRGBEE-OAHLLOKOSA-N 414.845 3.077 0 40 HGAB COc1ccccc1[C@H](CNC(=O)NCc1cccc(O)c1)NC(=O)OC(C)(C)C 52553380 GCJBAKPPOPJTFU-SFHVURJKSA-N 415.490 3.466 0 40 HGAB O=C(Nc1ccc(OC[C@@H]2CCCO2)cc1)N(C[C@@H]1CCCO1)C[C@H]1CCCO1 58202317 SIERRZVIFIMSEX-HBMCJLEFSA-N 404.507 3.436 0 40 HGAB Cc1cc(N2C[C@H](C(=O)N(C[C@H]3CCOC3)C3CC3)CC2=O)ccc1Br 58431072 JRWLUIJMSSQIKN-HUUCEWRRSA-N 421.335 3.138 0 40 HGAB CCN(CC)CCCNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C 68605609 DQKGZWZRSRXBLN-HXUWFJFHSA-N 416.566 3.452 0 40 HGAB CSc1ccc([C@@H]2NC(=O)N(CC(=O)Nc3ccccc3C)C3=C2C(=O)OC3)cc1 71326826 GESLHRQJDGTAMW-FQEVSTJZSA-N 423.494 3.233 0 40 HGAB Cc1ccc(CNC(=O)Cn2nnc(C(=O)Nc3cccc(Cl)c3C)c2C)cc1 71327262 KSPLFTPJUXHMGI-UHFFFAOYSA-N 411.893 3.425 0 40 HGAB CCOC(=O)c1cc(NC(=O)[C@@H]2CC(=O)N(c3cccc4ccccc34)C2)cn1C 72304388 YNLQYMJDRUDLOR-MRXNPFEDSA-N 405.454 3.347 0 40 HGAB Cc1c(C(=O)N2CCC(c3nc(NC(C)C)ncc3-c3ccccn3)CC2)cnn1C 72337686 XNOCZXNRWWHTOZ-UHFFFAOYSA-N 419.533 3.421 0 40 HGAB CCCN1CCN(C(=O)c2cnccn2)[C@@H](Cc2ccccc2-c2ccccc2)C1=O 72351600 XYHTVHVSWKWJCK-QHCPKHFHSA-N 414.509 3.449 0 40 HGAB CC(C)(C)c1cc(C(=O)N2CCC[C@H](c3cc(C(F)(F)F)n4ncnc4n3)C2)[nH]n1 72393655 CQMUDHIKTWUNDO-NSHDSACASA-N 421.427 3.184 0 40 HGAB O=C(Nc1ccc2nn[nH]c2c1)c1ccc(N2CCC(Cc3ccccc3)CC2)nn1 77099349 MGRIDQUULXHWLU-UHFFFAOYSA-N 413.485 3.459 0 40 HGAB NC(=O)Nc1cccc(NC(=O)[C@@H](c2ccc(Cl)cc2Cl)N2CCOCC2)c1 95402758 QDZYHIXYEROPMU-QGZVFWFLSA-N 423.300 3.496 0 40 HGAB CCOc1ccc(CN2[C@@H]3CC[C@@H]2Cc2c(nc4cc(C)nn4c2O)C3)cc1OC 100219492 WPLSYMSMHCIONS-IAGOWNOFSA-N 408.502 3.282 0 40 HGAB CC[C@H](C(=O)Nc1cccc(C(C)=O)c1)N(c1ccc(OC)cc1)S(C)(=O)=O 220647997 LIOLTAOOOSPIDL-LJQANCHMSA-N 404.488 3.081 0 40 HGAB COCCNC(=O)c1ccccc1NS(=O)(=O)c1cc(C(C)C)c(OC)cc1C 222826489 KQOSWFAOGDAYPA-UHFFFAOYSA-N 420.531 3.304 0 40 HGAB O=C(NCCOc1cccc2ccccc12)c1cccc(S(=O)(=O)N2CCCC2)c1 223560320 CTFJVTFSXBBPON-UHFFFAOYSA-N 424.522 3.433 0 40 HGAB COC(=O)c1ccccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCO)o1 223601823 YJSFTZZQFQEHOX-VQTJNVASSA-N 423.494 3.093 0 40 HGAB CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(C)cn1 223642793 QLKDVURGGOMAQZ-NHCUHLMSSA-N 421.526 3.111 0 40 HGAB CS(=O)(=O)N(CC(=O)Nc1cccc(C(F)(F)F)c1)Cc1ccccc1F 225672431 QIBOVUJFNRTGRJ-UHFFFAOYSA-N 404.385 3.245 0 40 HGAB CCC(=O)Nc1nnc(S(=O)(=O)N[C@@H]2CC(CC)(CC)Oc3ccccc32)s1 225767098 QBFDAAFTQKCWIA-CYBMUJFWSA-N 424.548 3.248 0 40 HGAB Cc1ccc(-c2nnsc2C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 225775833 NLZJYQDIZNYQQX-UHFFFAOYSA-N 422.510 3.200 0 40 HGAB COCCCNC(=S)Nc1nc(N2CCC(C)CC2)cc(N2CCC(C)CC2)n1 225900978 NLLFILHFMYSORR-UHFFFAOYSA-N 420.627 3.272 0 40 HGAB Cc1nc(CNC(=O)[C@@H](C)Oc2nn(-c3ccccc3)cc2Br)cs1 227159912 VLHLHJJUPIZSBP-LLVKDONJSA-N 421.320 3.483 0 40 HGAB CCOC(=O)[C@]1(C)N[C@H](c2ccccc2C)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@H]21 245230025 KIGAHMOFTZZRJP-PWSZPPJVSA-N 406.482 3.075 0 40 HGAB O=S(=O)(NCCn1cc(-c2ccccc2)cn1)c1ccccc1OC(F)(F)F 253473303 UBCYGAZAHUEOPI-UHFFFAOYSA-N 411.405 3.427 0 40 HGAB Cc1ccc(S(=O)(=O)N(C)c2ccc(Cl)c(C(=O)NC[C@H]3CCCO3)c2)cc1 260561343 BXVWSCAHDKEQDI-MRXNPFEDSA-N 422.934 3.382 0 40 HGAB c1coc(CN2CCN(CC3CC3)[C@H](c3cn4c(N5CCOCC5)cccc4n3)C2)c1 306126300 DSARDBBWKHVSHG-QFIPXVFZSA-N 421.545 3.033 0 40 HGAB CCN(CC)CCCNC(=O)c1nc(-c2ccnn2C2CCCC2)n2ccncc12 306135994 PGEIPWKTXCWWSX-UHFFFAOYSA-N 409.538 3.170 0 40 HGAB CCOC(=O)COc1ccc(/C=C(\Sc2nnc(CC)o2)C(=O)O)cc1OCC 408631395 IKACWUZGMPIZSE-GDNBJRDFSA-N 422.459 3.190 0 40 HGAB Cc1ccc(C(=O)N[C@H](C)c2nnc(SCC(=O)NCc3ccccc3)n2C)cc1 409128299 SBJPEQHCEGNBPW-MRXNPFEDSA-N 423.542 3.023 0 40 HGAB COCCCN1C(=O)S/C(=C/c2ccc(I)cc2)C1=O 409231408 JWUCUSHHQMYCTI-FMIVXFBMSA-N 403.241 3.364 0 40 HGAB CC(C)(C)C(=O)NCCc1ccc(S(=O)(=O)N2CCc3cc(F)ccc32)s1 509377388 GPVJZFCUQIQGDI-UHFFFAOYSA-N 410.536 3.343 0 40 HGAB C[C@H](Nc1cc(N[C@H](C)[C@H](O)Cc2ccccc2)ncn1)[C@H](O)Cc1ccccc1 534179679 KTXSPVVZYOCFIB-GMQQQROESA-N 406.530 3.285 0 40 HGAB Cc1ccc(Cl)cc1S(=O)(=O)N(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 575426463 UAGIXSCXCVIVAS-QGZVFWFLSA-N 413.948 3.026 0 40 HGAB O=S(=O)(NC[C@H](O)c1ccc(-c2ccsc2)cc1)c1ccc2c(c1)CCO2 575610093 KDOQFKCRYCURTP-IBGZPJMESA-N 401.509 3.362 0 40 HGAB Cc1nn(C)c(C)c1/C=C/C(=O)N(C)[C@@H]1CCC[C@@H](Oc2cccc(F)c2)[C@@H]1O 585290885 XHEMXZNQQVGADG-XVMBDLJSSA-N 401.482 3.009 0 40 HGAB O=C(N[C@H](Cc1ccccc1)c1nc(O)n[nH]1)c1cc(-c2c(F)cccc2F)no1 1635464514 YQBHWDCNAACIFR-OAHLLOKOSA-N 411.368 3.157 0 40 HGAB COCC(=O)N1CC[C@@H]2[C@H](C1)[C@@H](c1ccc(OC)cc1)CN2Cc1cccc(OC)c1 1848351920 KXHSXSYQRCYOGJ-WXFUMESZSA-N 424.541 3.167 0 40 HGAB C[C@@H](C(=O)N1CCC(COc2ccc3nc(C(C)(C)C)cn3n2)CC1)n1cccn1 1888892711 PXZIKPFVTDNBSO-INIZCTEOSA-N 410.522 3.102 0 40 HGAB O=C(O)[C@@H]1[C@@H](C(=O)Nc2ccccc2NS(=O)(=O)c2cccs2)[C@H]2C=C[C@H]1C2 102634287 IHNXFEHXSLUZHY-SYWGBEHUSA-N 418.496 3.010 0 40 HGAB Cc1ccc2nc(NC(=O)[C@H]3CC(=O)N(c4ccc5c(c4)OCCO5)C3)sc2c1 2621583 CMDHOVVFJITBCS-ZDUSSCGKSA-N 409.467 3.368 0 40 HGAB O=C(Nc1ccc(Br)cc1)[C@@H]1C[C@H](O)CN1C(=O)Oc1ccccc1 862001 MGKGRYYZYHUJIB-HOCLYGCPSA-N 405.248 3.022 0 40 HGAB COc1ccccc1NC(=S)N(CCO)Cc1cc2c(C)ccc(C)c2[nH]c1=O 878475 AGOJFHRODHRBEB-UHFFFAOYSA-N 411.527 3.345 0 40 HGAB Cc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccc(Cl)cc3)CC2=O)cc1C 1289348 ZRRSKWUPXUDGDS-OAHLLOKOSA-N 400.862 3.492 0 40 HGAB CCc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1 1289987 JCNGLTOXMPFFIF-HNNXBMFYSA-N 400.862 3.437 0 40 HGAB COc1ccc(C(=O)Nc2nc3ccccc3s2)cc1S(=O)(=O)N1CCCC1 3517016 YPXBMPJIZFFUCK-UHFFFAOYSA-N 417.512 3.342 0 40 HGAB O=C(Cn1nnc(-c2ccccc2NC(=O)c2ccc(F)cc2)n1)NC1CCCCC1 4217955 MQLPRRRBJPCOFP-UHFFFAOYSA-N 422.464 3.180 0 40 HGAB COC(=O)C[C@H]1C(=O)N[C@H]2CCCC[C@@H]2N1C(=O)Nc1ccc(Cl)c(Cl)c1 4223182 NKAZTDXWNRMOHP-KKUMJFAQSA-N 414.289 3.200 0 40 HGAB Cc1cc(C)c(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccccc3)C2)c(C)c1 6280420 QIRQFBRCFLBCMJ-FQEVSTJZSA-N 400.544 3.329 0 40 HGAB CCC[C@H](C)NC(=O)CN(c1ccc(OC)cc1OC)S(=O)(=O)c1ccccc1 6324931 RECZBLYQZQPRQM-INIZCTEOSA-N 420.531 3.204 0 40 HGAB O=C1COc2ccc(C(=O)CSc3nc(C4CC4)n(-c4ccccc4)n3)cc2N1 6550009 XOKGYWFLNNMNLI-UHFFFAOYSA-N 406.467 3.451 0 40 HGAB CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N(CC)CC)c(C)c2)cc1 7362042 KCUUQYSCSDEQMR-UHFFFAOYSA-N 420.531 3.442 0 40 HGAB COc1ccccc1N1CCN(C(=O)CCc2nc(-c3ccc(F)cc3)no2)CC1 7910429 VTLAGWFQYSCTFU-UHFFFAOYSA-N 410.449 3.166 0 40 HGAB COc1ccc(CN2CCN([C@@H](C)C(=O)N[C@H](C)c3ccc(F)cc3)CC2)cc1F 22772792 ZMQQXEHAYFONJG-SJORKVTESA-N 417.500 3.357 0 40 HGAB COc1ccc(CN2CCN(CC(=O)N(C3=CCCCC3)C3CC3)CC2)cc1OC 22785804 HDWUHHBGIUJQEY-UHFFFAOYSA-N 413.562 3.270 0 40 HGAB COc1ccc(N([C@@H](C)C(=O)Nc2ccc(F)c(F)c2)S(C)(=O)=O)cc1Cl 10334229 FBKGORKJZVEDQB-JTQLQIEISA-N 418.849 3.420 0 40 HGAB COc1ccc(CNC(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2)cc1OC 868648 PMTKBJPIRXZNEH-RGEXLXHISA-N 406.438 3.384 0 40 HGAB CCOc1ccc(-n2nc(C(=O)NCCOC)nc2-c2ccc(Cl)cc2)cc1 8476384 YXSAVFGQTWIWEQ-UHFFFAOYSA-N 400.866 3.363 0 40 HGAB CCc1cccc(C)c1NC(=O)Cn1c(=O)c2cccnc2n(-c2ccccc2)c1=O 12413542 RFOMVSWSMFGAME-UHFFFAOYSA-N 414.465 3.057 0 40 HGAB COc1ccc(CCNC(=O)[C@H]2CC(=O)N(c3cc(Cl)ccc3OC)C2)cc1 23995065 MCWVHURVTAHPOS-HNNXBMFYSA-N 402.878 3.069 0 40 HGAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccccc2Cl)cc1Cl 107598230 KNQCVFJZIJITHM-JTQLQIEISA-N 403.287 3.308 0 40 HGAB COc1cc(N2C[C@@H](C(=O)N3CCCc4cccc(C)c43)CC2=O)cc(OC)c1OC 58690692 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CCc1ccc(NC(=O)Cn2cnc3c(cnn3-c3ccc(Cl)cc3)c2=O)cc1 4165895 UUPDOQJLCIVPRY-UHFFFAOYSA-N 407.861 3.437 0 40 HGAB COc1cc(OC)cc(C(=O)Nc2sc3c(c2C(N)=O)CC(C)(C)NC3(C)C)c1 4275256 GZGPVAOVHBDKMZ-UHFFFAOYSA-N 417.531 3.276 0 40 HGAB Cc1csc(NC(=O)CSc2nnc(NC(=O)c3cccc(F)c3)s2)n1 4328292 MOEZRDCIMWEXID-UHFFFAOYSA-N 409.493 3.425 0 40 HGAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2ccc3c(c2)OCCO3)c1C 4926003 AJHPUUNGHZRUOT-ZDUSSCGKSA-N 401.415 3.008 0 40 HGAB Cc1ccc(C(=O)[C@H]2[C@@H]3C(=O)N(c4ccc(C)cc4C)C(=O)[C@@H]3[C@H]3CCCN32)cc1 5304748 OFZSRVMXIITFEV-GXRSIYKFSA-N 402.494 3.447 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)NCc1ccc(C)cc1 6218605 ASFRHHVYBWMJFH-UHFFFAOYSA-N 416.543 3.498 0 40 HGAB C[C@@]1(c2ccccc2Cl)NC(=O)N(CC(=O)Nc2ccc(F)c(F)c2F)C1=O 6266495 DMAIKDVSIPUOET-SFHVURJKSA-N 411.767 3.163 0 40 HGAB CCOc1ccc([C@@H]2c3c(-c4c(C)cc(C)cc4O)n[nH]c3C(=O)N2CCO)cc1 6743221 YHGCQHVVXFYICL-JOCHJYFZSA-N 407.470 3.335 0 40 HGAB CC(C)Oc1ccc(C(=O)N(Cc2cccc(F)c2)[C@@H]2CCS(=O)(=O)C2)cc1 6810982 SDDOKFMWFSSVDX-LJQANCHMSA-N 405.491 3.442 0 40 HGAB COc1ccc(C(=O)Nc2nc(-c3nnn(-c4cccc(F)c4)c3C)ns2)cc1 6914581 OKQQPYAUMKDDCW-UHFFFAOYSA-N 410.434 3.494 0 40 HGAB CCOC(=O)c1c(C)oc2nc(CSc3nnc(C4CC4)n3CC)nc(N)c12 6993438 PHZKGISEVRGFEY-UHFFFAOYSA-N 402.480 3.071 0 40 HGAB COc1ccc(OC[C@@H](O)CNCCOc2ccccc2OC)c(C(C)(C)C)c1 7015393 AVSREIAJBVOXTD-KRWDZBQOSA-N 403.519 3.410 0 40 HGAB CC(C)(C)OC(=O)N1CCC(C(=O)OCC(=O)c2ccc3c(c2)OCCCO3)CC1 7081968 SWKOFMXTYYMRBH-UHFFFAOYSA-N 419.474 3.221 0 40 HGAB Cc1ccccc1OCc1n[nH]c(SCC(=O)c2ccc3c(c2)CC(=O)N3C)n1 7227213 JTTHIUAOIZWFDU-UHFFFAOYSA-N 408.483 3.186 0 40 HGAB CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)nc2n3CCCCC2)cc1 7725426 UDOXONNNYHOTEN-UHFFFAOYSA-N 412.515 3.265 0 40 HGAB CCCNC(=O)[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)CCCC3)c2ccccc2O1 8167654 QSGCRCUKDCURFT-NRFANRHFSA-N 414.527 3.048 0 40 HGAB O=C(Nc1ccc(-n2cnnn2)cc1)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O 8403554 PFDFMZFDQBBKJQ-NRFANRHFSA-N 411.421 3.369 0 40 HGAB O=C(Nc1nnc(S(=O)(=O)N2CCc3ccccc32)s1)c1ccccc1Cl 8587994 JTCFDRLVKSSTTM-UHFFFAOYSA-N 420.903 3.195 0 40 HGAB Cc1ccc(-c2nnc(SCC(=O)c3ccc(S(C)(=O)=O)cc3)n2C)cc1 8718590 JWCITWRAWMGEJM-UHFFFAOYSA-N 401.513 3.169 0 40 HGAB O=C(COc1ccccc1P(=O)(O)O)Nc1cc(Cl)c(Cl)cc1Cl 9419871 ZWPCHHMEZLFNKQ-UHFFFAOYSA-N 410.577 3.467 0 40 HGAB Cc1oc2cc(OCC(=O)NCCCO)ccc2c(=O)c1-c1ccc(Cl)cc1 9577577 WJJQTJSRSJHXLQ-UHFFFAOYSA-N 401.846 3.299 0 40 HGAB CN(C(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1)C1CCCCC1 10092979 NNQMYXRQZYHVRW-UHFFFAOYSA-N 410.444 3.151 0 40 HGAB NC(=O)c1ccc(COC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CCCC2)cc1 10738896 OCVMQOXBCGHLBQ-UHFFFAOYSA-N 421.902 3.269 0 40 HGAB CCN1CCC(NC(=O)[C@@H](NC(=O)c2ccc(Cl)cc2Cl)C(C)C)CC1 11527064 DVIVTJHZVYXHKU-KRWDZBQOSA-N 400.350 3.348 0 40 HGAB CCOC(=O)c1c(NC(=O)c2nn(-c3ccc(F)cc3)ccc2=O)sc(C)c1C 11914132 CMIFQACNBPNNJK-UHFFFAOYSA-N 415.446 3.479 0 40 HGAB C[C@@H]1CCCC[C@@H]1NC(=O)CN1C(=O)COc2ccc(C(=O)c3cccs3)cc21 12239766 ILHUGTYVEJJBND-ZBFHGGJFSA-N 412.511 3.399 0 40 HGAB O=C(CNC(=O)c1ccc2nc(-n3cccc3)sc2c1)NCCc1ccccc1 12323562 BCYHLGZENRPKRD-UHFFFAOYSA-N 404.495 3.176 0 40 HGAB COc1ccc(C(=O)CCC(=O)N2CCC[C@@H](c3n[nH]c4nccnc34)C2)cc1C 12365077 JGXFVNHBHLBRFG-MRXNPFEDSA-N 407.474 3.039 0 40 HGAB CC(C)CNC(=S)NC[C@H]1C[C@@H]2CCN1C[C@@H]2c1cc(-c2cccs2)nn1C 12601929 JPKZIFUKIHKDIZ-BBWFWOEESA-N 417.648 3.447 0 40 HGAB biogenic,in-vitro C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)Cc3ccc(Cl)cc3)cc2)C[C@H](C)O1 12812666 WHGVRNLSEFFPRT-GJZGRUSLSA-N 422.934 3.319 0 40 HGAB COc1ccc(OC)c([C@H](C)NC(=O)Cn2c(S)nnc2-c2cccc(C)c2)c1 12974107 WRXVVGJMHQLIKX-AWEZNQCLSA-N 412.515 3.437 0 40 HGAB O=C(NCc1ccccc1)C1CCN(C(=O)c2cc(Br)ccc2O)CC1 13020560 NDVVVTFVPRBPMN-UHFFFAOYSA-N 417.303 3.323 0 40 HGAB O=C(CN1CCN(c2nccn2-c2cccc(Cl)c2)CC1)NC1CCCCC1 13694832 PCLPLRSJLFLPHW-UHFFFAOYSA-N 401.942 3.097 0 40 HGAB O=c1c2cnc3nc(-c4cccnc4)nn3c2ccn1CCc1c[nH]c2ccccc12 13720657 IXIRRNJYSCLNEE-UHFFFAOYSA-N 407.437 3.225 0 40 HGAB COc1ccc(NS(=O)(=O)c2ccc(OC)c(C(=O)N3CCCC3)c2)cc1Cl 13856259 KKGIVVGVTXIGSE-UHFFFAOYSA-N 424.906 3.394 0 40 HGAB CCN(C(=O)[C@H](C)Sc1nc2cc(Cl)ccc2s1)[C@@H]1CCS(=O)(=O)C1 15800141 LQHMLFSGPDRQCC-CMPLNLGQSA-N 418.993 3.466 0 40 HGAB COc1ccc(-n2nc(C(=O)Nc3ccc(Cl)cc3)/c(=N/C(C)=O)s2)cc1 16956935 CBXRJNCGYQANHZ-ZZEZOPTASA-N 402.863 3.295 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(C(=O)OCc2cc(-c3ccco3)on2)cc1 18225906 QYVOSIFVNYHDIL-UHFFFAOYSA-N 404.444 3.322 0 40 HGAB Cc1cc2n(n1)[C@@H](C(F)F)C[C@@H]([C@H]1CCCN(C(=O)[C@@H](C)N3CCCCC3)C1)N2 19127283 CRIDRIBBLXSDEO-VSZNYVQBSA-N 409.525 3.295 0 40 HGAB Cc1nc2ncccn2c1CN1CCC[C@@H](c2cc(=O)[nH]c(-c3cccs3)n2)C1 19555038 AXYNNDGVLYDRKG-OAHLLOKOSA-N 406.515 3.229 0 40 HGAB COc1ccc(-c2nnc3n2[C@H]2CCCC[C@H]2N(C(=O)c2ccncc2)C3)cc1OC 19561701 KKNLUGNMMUPEAH-MSOLQXFVSA-N 419.485 3.497 0 40 HGAB CNc1cc([C@@H]2CCCNC2)nc(CN(C)C(=O)CCCc2ccc(F)c(C)c2)n1 19709957 BHMWFKXUQKLRDL-GOSISDBHSA-N 413.541 3.414 0 40 HGAB Cn1cc(C(=O)Nc2nccs2)c(CC2CCN(C(=O)[C@@H]3CC34CCC4)CC2)n1 19756542 GXWZQVINLAKLAH-INIZCTEOSA-N 413.547 3.100 0 40 HGAB CCc1ccc(OCC(=O)NC[C@@H](c2ccc(Cl)cc2)N2CCN(C)CC2)cc1 19902231 QQJAXUIGZLDWGB-QFIPXVFZSA-N 415.965 3.386 0 40 HGAB Cc1cccc(CNC(=O)C2CCN(S(=O)(=O)Cc3cccc(C)c3)CC2)c1 20492019 VDAMGVATZXDSBE-UHFFFAOYSA-N 400.544 3.162 0 40 HGAB COc1ccc(-c2cnn3c2N=C(O)C[C@@H]3C(=O)Nc2ccc3c(c2)OCO3)cc1 20744442 HLRVBPFKEDKYHW-MRXNPFEDSA-N 406.398 3.459 0 40 HGAB CCOc1cc(CNCCNCCO)cc(Br)c1OCc1ccccc1 22075445 HCOWOMROHMUBQX-UHFFFAOYSA-N 423.351 3.098 0 40 HGAB CS(=O)(=O)N(Cc1ccccc1)c1ccc(OCC(=O)NCc2ccccc2)cc1 22230976 BFGBXRZAMGUSEP-UHFFFAOYSA-N 424.522 3.348 0 40 HGAB Cc1nc2cc(C(=O)N3CCN(CCN4CCCC4)CC3)ccc2n1-c1ccccc1 22924315 ARKPKJAMJFUBSC-UHFFFAOYSA-N 417.557 3.188 0 40 HGAB O=C(Cn1nc(-c2ccco2)c2sc(N3CCCC3)nc2c1=O)Nc1ccccc1 23108961 ICAXIJSUKUMQPH-UHFFFAOYSA-N 421.482 3.352 0 40 HGAB Cc1nn(C)c2ncc(C(=O)Nc3cc4c(cc3Br)OCCO4)cc12 23755315 WTNCMJOEBVANRW-UHFFFAOYSA-N 403.236 3.063 0 40 HGAB Cn1ccnc1SCC(=O)Nc1ccc(C(=O)N2CCCc3ncccc32)cc1 25673841 ODQDDEDEMXSENS-UHFFFAOYSA-N 407.499 3.139 0 40 HGAB C[C@H](OC(=O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1)C(=O)N1CCc2ccccc21 26030368 ZSMJGJSRDSVLQJ-QFBILLFUSA-N 424.472 3.199 0 40 HGAB COc1ccc(C)cc1[C@@H](C)NC(=O)NC1CCN(CC(=O)Nc2ccccc2)CC1 26283396 PGIVGGPRGXAJND-GOSISDBHSA-N 424.545 3.467 0 40 HGAB CON(C)S(=O)(=O)c1ccc(NC(=O)Cc2cccc(C(F)(F)F)c2)cc1 26387725 MMMTZKPCHVUXSY-UHFFFAOYSA-N 402.394 3.069 0 40 HGAB CC(=O)c1c(C)[nH]c(C(=O)COC(=O)[C@H](NC(=O)c2ccco2)c2ccccc2)c1C 27495371 GUTLPAXUXCXBRS-OAQYLSRUSA-N 422.437 3.324 0 40 HGAB COc1ccc(CSc2nnc(Nc3cccc(Cl)c3)c(=O)n2N)cc1OC 28535879 YWVTXYNMSHAYGI-UHFFFAOYSA-N 419.894 3.059 0 40 HGAB O=C1Nc2ccccc2O[C@@H]1CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 29471800 KXJOYHKIBBEHMJ-DYESRHJHSA-N 408.454 3.301 0 40 HGAB CCCOc1c(I)cc(C(=O)NCCCOC)cc1OCC 33855213 SDZIDXZAQIDICJ-UHFFFAOYSA-N 421.275 3.245 0 40 HGAB C#CCn1c(C)c(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)c2ccccc21 34879868 ABBWLOFDOGRABJ-PDGQHHTCSA-N 417.421 3.055 0 40 HGAB CCN1CCC(NC(=O)c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)CC1 35264432 UIUZCGXANACBJT-UHFFFAOYSA-N 421.950 3.355 0 40 HGAB O=C1C[C@@H](N2CCN(Cc3ccccc3)CC2)C(=O)N1c1ccc(Cl)cc1Cl 36634041 BPFWNHXBXCTAQZ-LJQANCHMSA-N 418.324 3.443 0 40 HGAB Cc1[nH]c2ccccc2c1C(=O)C(=O)Nc1nn(C)c2c1[C@@H](c1ccco1)CC(=O)N2 36705539 XNNTWLIYYLHGJL-CYBMUJFWSA-N 417.425 3.098 0 40 HGAB Cn1nc(NC(=O)c2cc(=O)c3ccccc3o2)c2c1NC(=O)C[C@H]2c1cccs1 36705604 LJLVWMRERNXFIZ-LBPRGKRZSA-N 420.450 3.314 0 40 HGAB CCOc1ccc(C(=O)N2CCN(C(=O)N(C)Cc3ccccc3)CC2)cc1OC 40135128 LNQCCFQCIZIDJH-UHFFFAOYSA-N 411.502 3.104 0 40 HGAB C[C@@H](NC(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1)c1ccc(S(C)(=O)=O)cc1 44857108 BXLUAGFQRDOCEO-APWZRJJASA-N 418.534 3.319 0 40 HGAB Cc1nc(C2(NS(=O)(=O)c3ccc(OC(F)(F)F)cc3)CCCCC2)no1 45097191 JHWAHFWNAOWMMS-UHFFFAOYSA-N 405.398 3.415 0 40 HGAB COc1ccccc1CNc1ncc2c(=O)n(-c3cccc(C)c3C)c(O)nc2n1 67263611 PHBXIMRYJJUAGH-UHFFFAOYSA-N 403.442 3.119 0 40 HGAB O=C(NCc1cccc2ccccc12)N1CCN(C(=O)c2cnn3ccccc23)CC1 77101302 KGMWQWYRFRNKKM-UHFFFAOYSA-N 413.481 3.155 0 40 HGAB C[C@@H]1CCC[C@@H](C)N1C(=O)CN(c1cccc(Br)c1)S(C)(=O)=O 78440836 LJHASQBZAZXGNX-CHWSQXEVSA-N 403.342 3.005 0 40 HGAB COc1ccc(CN2CC[C@@H](NC(=O)Cc3ccc(OC(F)(F)F)cc3)C2=O)cc1 78813720 FVQSCZBEUAOOSM-GOSISDBHSA-N 422.403 3.054 0 40 HGAB Cn1cc(CNC(=O)Nc2ccc(=O)n(Cc3ccc(Cl)c(Cl)c3)c2)cn1 84318522 LFEFMDAQRXVPDI-UHFFFAOYSA-N 406.273 3.259 0 40 HGAB CCc1cc(S(=O)(=O)NCc2nc(-c3ccc(Cl)cc3)no2)ccc1OC 95470734 UNTSAMYMIGBIBD-UHFFFAOYSA-N 407.879 3.440 0 40 HGAB CCN1CC2(CCN(Cc3cccs3)CC2)COc2ccccc2S1(=O)=O 96037140 RIWXURAOBLNPFP-UHFFFAOYSA-N 406.573 3.434 0 40 HGAB CN1CC(=O)N(c2ccccc2)C[C@@]12CCN(C(=O)c1cccc(C(F)(F)F)c1)C2 96237786 CMNYNJYDTOZYSS-NRFANRHFSA-N 417.431 3.269 0 40 HGAB CNC(=O)c1nn(-c2cccc(Cl)c2)s/c1=N\C(=S)Nc1ccccc1 101383124 VUZLHOITOKYZDI-PGMHBOJBSA-N 403.920 3.245 0 40 HGAB O=C1N[C@@H](c2cccc(O)c2)[C@H](C(=O)c2ccc(Cl)cc2)[C@@](O)(C(F)(F)F)N1 102790261 RDQLJCDEPOORFC-JKIFEVAISA-N 414.767 3.150 0 40 HGAB CCC(CC)NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 113936441 VNSRGNJUVGLJCZ-UHFFFAOYSA-N 420.531 3.447 0 40 HGAB CC[C@H](NS(=O)(=O)c1ccc(N2CCCC2=O)cc1)c1ccc(OC)c(OC)c1 219220834 UMNDVTVFHUIKIJ-SFHVURJKSA-N 418.515 3.260 0 40 HGAB COc1ccc(-c2noc(CNC(=O)CSCc3ccc(F)cc3)n2)c(OC)c1 219263558 UPHUMZDSKNCJNO-UHFFFAOYSA-N 417.462 3.443 0 40 HGAB CCc1ccc([C@H](C)NS(=O)(=O)c2nnc(NC(=O)c3ccccc3)s2)cc1 224391191 QYCZRIOTBVCKSQ-ZDUSSCGKSA-N 416.528 3.392 0 40 HGAB CCOc1ccc(C(=O)N[C@@H](C)CC)cc1CN(C)S(=O)(=O)c1ccccc1 224809150 NXPOTDOXGHPRFS-INIZCTEOSA-N 404.532 3.434 0 40 HGAB CCOC(=O)CN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1ccc(OC)cc1 224860676 NIKVQCAJURZKNP-UHFFFAOYSA-N 413.879 3.116 0 40 HGAB COc1ccc(OC[C@@H](C)NS(=O)(=O)c2cc3c(cc2OC)CCCC3)cc1 224890698 OYYILJOXKCEWSJ-OAHLLOKOSA-N 405.516 3.328 0 40 HGAB CNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)COc1cccc(C)c1 225494579 UKYFDLPFNMDVRR-OAHLLOKOSA-N 419.319 3.300 0 40 HGAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1nnc(SCC(=O)OC)s1 225822368 OCYZRRJYCLDMQD-LLVKDONJSA-N 401.897 3.253 0 40 HGAB COC[C@]1(N)[C@@H](c2ccc(Br)cc2)[C@H]1S(=O)(=O)c1ccc(C)cc1 242400285 ATAKWQYDVDUMEY-KSZLIROESA-N 410.333 3.041 0 40 HGAB Cc1ccc(S(=O)(=O)Nc2ncc(C(=O)Nc3ccccc3Cl)cn2)cc1 408528390 DWGOVEMQWDALBV-UHFFFAOYSA-N 402.863 3.492 0 40 HGAB COc1cccc(N(CC(=O)NC(c2ccccc2)c2ccccc2)S(C)(=O)=O)c1 408604861 IRIJUCSAAIQQSQ-UHFFFAOYSA-N 424.522 3.367 0 40 HGAB COc1ccc2[nH]cc(C3CCN(C(=O)NCc4cccc(C(N)=O)c4)CC3)c2c1 524697709 WNIDAFVHDYRFNB-UHFFFAOYSA-N 406.486 3.365 0 40 HGAB CCNC(=O)C[C@@H]1CC2(CCN(C(=O)CCc3cncnc3)CC2)c2cc(F)ccc21 585105651 WXYPBIHJTWYLDS-GOSISDBHSA-N 424.520 3.122 0 40 HGAB Cc1nn(C)cc1C(=O)N1CCC[C@@]2(CCCCCOc3ccccc3C(=O)NC2)C1 643559494 LLDKKRNNBMGSGT-XMMPIXPASA-N 424.545 3.334 0 40 HGAB CC1CCN(C2CCC(NC(=O)N3CC[C@]4(C3)C(=O)Nc3ccccc34)CC2)CC1 681798174 IGBKVPPODIRNBK-RGELYXPASA-N 410.562 3.335 0 40 HGAB CC(C)(C)c1ccc(OCC2CCN(C(=O)c3cccc4c3OCCO4)CC2)nn1 1775966202 XYUPDKRYSQLQDT-UHFFFAOYSA-N 411.502 3.477 0 40 HGAB C[C@@H]([C@@H](O)c1ccccc1)N(C)C[C@H]1C(=O)O[C@@H]2CC3=CCC[C@H](C)[C@@]3(C)[C@@H](O)[C@H]12 4028675 SYTZVGPWDLPTPO-SMXNYXPKSA-N 413.558 3.325 0 40 HGAB O=C(c1cccs1)[C@H]1[C@@H](c2ccc(F)cc2)NC(=S)N[C@]1(O)C(F)(F)F 4387921 STEYOCFEPKCBKG-LALPHHSUSA-N 404.410 3.156 0 40 HGAB Cc1cc(NC(=O)[C@@H](C)N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@@H]3C2=O)cc(C)c1Br 4553374 SRVMAAVBPGJDNM-KLUNEYRZSA-N 419.319 3.424 0 40 HGAB COc1ccc(CCNC(=O)CSc2nnc(-c3cccnc3)n2C2CC2)cc1 7797991 CGSINWBFKCBQPU-UHFFFAOYSA-N 409.515 3.135 0 40 HGAB CC(C)(C)NS(=O)(=O)c1ccc(CCC(=O)Nc2ccc3c(c2)OCCO3)cc1 667250 PUEISYCGBXZGSG-UHFFFAOYSA-N 418.515 3.106 0 40 HGAB O=C1C[C@@H](N2CCCC[C@@H]2CCO)C(=O)N1c1ccc(Cl)c(C(F)(F)F)c1 8570042 PBAVITCTMCJRJB-IAQYHMDHSA-N 404.816 3.228 0 40 HGAB O=C(COc1ccccc1F)OCc1cc(=O)n2nc(C3CCCCC3)sc2n1 8605569 NALMTLAHSDUKGC-UHFFFAOYSA-N 417.462 3.460 0 40 HGAB CC(C)(C)c1ccc(C(=O)N2[C@@H]3CC[C@@H]2CC(O)(c2ccc4c(c2)OCO4)C3)c(=O)[nH]1 100773868 ZJNYTRLBDJONBX-HZPDHXFCSA-N 424.497 3.056 0 40 HGAB C[C@H](Sc1nnc(COc2ccccc2F)n1N)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C 105697663 UGWOALBBMXOSRI-RZLSGREXSA-N 421.542 3.132 0 40 HGAB COc1ccc(CN(C)C(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2C)cc1F 9951159 YUHFKABHYMONQK-UHFFFAOYSA-N 420.506 3.199 0 40 HGAB COc1ccc(C)cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(C)cc2)C1 9974734 ATKOJQNBUBXJGP-KRWDZBQOSA-N 402.516 3.351 0 40 HGAB COC(=O)c1ccc2[nH]c3c(c2c1)CN(C(=O)c1cnc2c(cnn2C(C)C)c1)CC3 25454407 JCCQXYJHIOWXMN-UHFFFAOYSA-N 417.469 3.479 0 40 HGAB CCN(CC)[C@H](CNS(=O)(=O)c1ccc(N2CCCC2=O)cc1C)c1ccco1 57997195 APABDUIOSONVQI-GOSISDBHSA-N 419.547 3.076 0 40 HGAB C[C@@H](NC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)[C@H]1C[C@H]2CC[C@H]1C2 107133695 ZKPMRPACCARHHJ-BOFXEDATSA-N 404.576 3.345 0 40 HGAB Cc1cccc(C)c1NC(=O)COC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 51980749 ORKBQLUNLMHGOU-HNNXBMFYSA-N 400.862 3.492 0 40 HGAB CC(=O)Nc1ccccc1-c1nnc(SCC(=O)Nc2ccc(C)cc2)nc1O 35377933 UTHPHOMRKLXLMN-UHFFFAOYSA-N 409.471 3.242 0 40 HGAB CC(=O)Nc1ccccc1-c1nnc(SCC(=O)Nc2ccccc2C)nc1O 35377937 XRRCSLCSRBARFX-UHFFFAOYSA-N 409.471 3.242 0 40 HGAB O=c1[nH]c2ccc(S(=O)(=O)Nc3ccc4nc(N5CCCC5)sc4c3)cc2o1 12652244 IBIUNIUDQWQQDU-UHFFFAOYSA-N 416.484 3.132 0 40 HGAB COC(=O)[C@H](Sc1nnc(N2CCOCC2)n1CC(C)C)c1ccccc1C 97163222 HYXBXNLVBJZGMH-QGZVFWFLSA-N 404.536 3.086 0 40 HGAB Cc1ccc(C)c(C(=O)[C@@H](C)Sc2nnc(CCC(N)=O)n2Cc2ccco2)c1 22749664 RCDGOTKAICJPPC-OAHLLOKOSA-N 412.515 3.318 0 40 HGAB Cc1ccc(N2CCN([C@H](C(=O)O)c3cn(C)c4cc(C(=O)O)ccc34)CC2)c(C)c1 36367142 GKIBKBFCABJRAM-QFIPXVFZSA-N 421.497 3.441 0 40 HGAB O=C(CSc1nnc(NC2CC2)s1)NCc1ccccc1OC(F)(F)F 11016960 HSUHLBXSQZKGMX-UHFFFAOYSA-N 404.439 3.420 0 40 HGAB CN(Cc1nnc2n1CCCCC2)C(=O)c1nn(-c2ccc(F)cc2)c2c1CCCC2 12740876 AVWZNAAESPWNQL-UHFFFAOYSA-N 422.508 3.480 0 40 HGAB COc1cc(CNCc2cc(Br)c3c(c2)OCO3)cc(OC)c1OC 48326064 SDUDOZDYBPOEQV-UHFFFAOYSA-N 410.264 3.493 0 40 HGAB CC(=O)NCCCc1ccc(-c2csc(NC(=O)CCCn3ccnc3)n2)cc1 48366445 RCVHCJOIUKPBNX-UHFFFAOYSA-N 411.531 3.494 0 40 HGAB C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)NC(c1ccccc1)c1ccccc1)C2=O 3595903 WINBRVFGAIVQSL-BXKMTCNYSA-N 405.498 3.393 0 40 HGAB CC[C@@H](C)n1c(SCC(=O)NC(=O)NC2CCCC2)nc2ccccc2c1=O 3518470 AQCBMEKHQBTNHF-CYBMUJFWSA-N 402.520 3.228 0 40 HGAB CC(C)NC(=O)Nc1ccc(C(=O)NC[C@@H](CO)Cc2ccc(Cl)cc2)cc1 72311750 OEMUMJUEOOVZSR-INIZCTEOSA-N 403.910 3.451 0 40 HGAB COc1ccc([C@@H]2CC(=O)c3cc(C(=O)Nc4cccc(C)n4)c(=O)[nH]c3C2)cc1 13363488 NVHMRYJJMRLRBR-HNNXBMFYSA-N 403.438 3.252 0 40 HGAB COc1ccc([C@@H]2CC(=O)c3cc(C(=O)Nc4ccc(O)cc4)c(=O)[nH]c3C2)cc1 64959154 YWQNTMYAHVJFLH-AWEZNQCLSA-N 404.422 3.254 0 40 HGAB C[C@@H](CCc1ccco1)NC(=O)COc1ccc2nc3n(c(=O)c2c1)CCCCC3 13723515 MEXPQUKGIMCDDZ-INIZCTEOSA-N 409.486 3.232 0 40 HGAB O=C(NCCc1ccc(F)cc1)[C@@H]1CC(=O)N(CCc2c[nH]c3ccc(F)cc23)C1 13944933 IOQDECOFKVIRQL-QGZVFWFLSA-N 411.452 3.196 0 40 HGAB CCc1nnc(SCC(=O)Nc2ccc(N3CCOCC3)cc2)n1CC(C)C 13945019 PDBLVVLVCZTZPG-UHFFFAOYSA-N 403.552 3.064 0 40 HGAB Cc1ccc(OCc2nnc(SCC(=O)N3[C@@H](C)CCC[C@@H]3C)n2N)c(C)c1 5321034 PURLOCIACZNUOB-HOTGVXAUSA-N 403.552 3.069 0 40 HGAB COc1ccc(Cn2nnnc2SCC(=O)N2CCC[C@@H]3CCCC[C@H]32)cc1 14139217 ZHUOJRQWUHLDLU-FUHWJXTLSA-N 401.536 3.003 0 40 HGAB CCSc1nnc(SCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)s1 5450350 WUVNMLKZSWXZKG-UHFFFAOYSA-N 414.603 3.420 0 40 HGAB COc1ccc(Cc2nc3c4c(C)c(C)n(CCCN(C)C)c4ncn3n2)cc1OC 6760150 QMIASZSSOOBOAU-UHFFFAOYSA-N 422.533 3.256 0 40 HGAB CC[C@H](C)NC(=O)CCc1nnc2n(Cc3ccc(C)cc3)c(=O)c3ccccc3n12 6803100 HAAQYFXZIRGSLW-KRWDZBQOSA-N 417.513 3.248 0 40 HGAB CCc1[nH]c2ccccc2/c(=N/C(=O)CNCCc2ccc(OC)c(OC)c2)c1C 5842064 GTLLWHQJJVBSIF-UHFFFAOYSA-N 407.514 3.316 0 40 HGAB Cc1nnc(SCC(=O)N2c3ccccc3NC(=O)C[C@H]2C)n1-c1ccccc1 6985205 VIBVTOZLVJLVEV-CQSZACIVSA-N 407.499 3.432 0 40 HGAB CCC(CC)C(=O)OCC(=O)Nc1cccc(S(=O)(=O)N(C)c2ccccc2)c1 4947311 SXNJFPNEAGRCNV-UHFFFAOYSA-N 418.515 3.430 0 40 HGAB Cc1ccnn1-c1ccc(C(=O)OCc2nc(N)nc(Nc3ccccc3)n2)cc1 7104642 WIYZJIHQXKFGRX-UHFFFAOYSA-N 401.430 3.049 0 40 HGAB CCN(CC)C(=O)[C@@H]1CSCN1C(=O)Cc1nc(-c2ccc(F)cc2)cs1 96012369 FMUUTZKJKKALJZ-INIZCTEOSA-N 407.536 3.262 0 40 HGAB CNC(=O)NC(=O)[C@H](OC(=O)/C=C/c1ccc(OC(F)F)cc1)c1ccccc1 16050894 TVCNDWLJIBMVJK-XLNAKTSKSA-N 404.369 3.041 0 40 HGAB COc1ccc(OCCCC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)cc1 7779058 OQLUHTMPKCCWIY-UHFFFAOYSA-N 406.504 3.052 0 40 HGAB Cn1nccc1[C@@H]1CN(C(=O)c2ccoc2)C[C@]12CCCN(Cc1ccccc1)C2=O 306141973 WLRRXKZANUCBKJ-GBXCKJPGSA-N 418.497 3.062 0 40 HGAB CCCCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1c(Cl)cccc1Cl 9424467 ZPXVKUWTUYUTFW-UHFFFAOYSA-N 424.332 3.391 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(N(C)C)c(NC(=O)[C@@H](C)Oc2ccccc2)c1 8392969 FIYUYEAKMTYFIP-MRXNPFEDSA-N 419.547 3.189 0 40 HGAB CCN(CC)c1ccc([C@H]2c3sc(=O)[nH]c3SC[C@]2(CC(=O)O)C(=O)O)cc1 96318872 HHXVEHSGEPQFRP-LIRRHRJNSA-N 422.528 3.066 0 40 HGAB COc1ccccc1Nc1nc(N)nc(CSC(=S)N2CCC(C)CC2)n1 17208815 WULVHEXKRQCFLK-UHFFFAOYSA-N 404.565 3.456 0 40 HGAB Cc1ccc([C@H](NC(=O)CCc2cc3n(n2)CCCNC3)c2cccnc2)cc1C 72423101 MGORTPMWOCTABL-DEOSSOPVSA-N 403.530 3.227 0 40 HGAB Cc1cc(=O)[nH]c([C@H](C)Sc2nnc3n(CCC(C)C)c(=O)c4ccccc4n23)n1 84114344 SDZKHIYNCDZOTJ-AWEZNQCLSA-N 424.530 3.335 0 40 HGAB CCOc1ccccc1C(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 89270060 ACBQSCDHNSSQGW-UHFFFAOYSA-N 424.522 3.385 0 40 HGAB Cc1ccc(C)c(S(=O)(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)c1 89624137 BIVOBXYPTDPQSZ-UHFFFAOYSA-N 408.545 3.279 0 40 HGAB CC[C@H](C)NC(=O)COc1ccc(N(Cc2ccc(F)cc2)S(C)(=O)=O)cc1 22232447 WWECETOAKBTQKI-HNNXBMFYSA-N 408.495 3.085 0 40 HGAB CC(C)N(C(=O)CSc1nnc(Cn2nnc3ccccc32)o1)c1ccccc1 27525918 RWSYCCWCXGWTFB-UHFFFAOYSA-N 408.487 3.396 0 40 HGAB COc1cccc([C@H](CN2C(=O)[C@@H](C)NC2=S)c2c[nH]c3ccccc23)c1OC 27401089 JXBKROFAAGTCJX-DYVFJYSZSA-N 409.511 3.422 0 40 HGAB C[C@@H](CCc1ccccc1)NC(=O)COc1ccc(S(=O)(=O)NC(C)(C)C)cc1 408584503 QPGZPGGFGGDPPG-KRWDZBQOSA-N 418.559 3.280 0 40 HGAB O=C(Nc1ccc2c([C@@H](C(=O)O)N3CCC(C(=O)O)CC3)c[nH]c2c1)c1ccccc1 36359583 RCGGEGSVUZKHKW-FQEVSTJZSA-N 421.453 3.343 0 40 HGAB O=C(N[C@H](Cc1ccccc1)C(=O)Nc1ccc2c(c1)CCCO2)c1cccnc1 506006366 CRIDNJRNLQBAOY-OAQYLSRUSA-N 401.466 3.386 0 40 HGAB COc1ccc(N(C[C@@H](O)CN2CCCC2)S(=O)(=O)c2ccc(Cl)cc2)cc1 31903739 MPAPFEKBJVTUAZ-SFHVURJKSA-N 424.950 3.001 0 40 HGAB COC(=O)[C@@H](NC(=O)c1ccc(C)cc1)c1nnc(Nc2ccc(OC)cc2)s1 35681771 WFHXACZZRRDXMJ-INIZCTEOSA-N 412.471 3.243 0 40 HGAB CCN(CC(=O)NCc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(F)cc1 39985547 KSWXWZMYBOOUTF-UHFFFAOYSA-N 419.305 3.460 0 40 HGAB C[C@@H](NC(=O)[C@H]1CN(S(C)(=O)=O)c2cc(C(C)(C)C)ccc2O1)c1ccccc1 38832886 FCBVLFPOHPFHBG-FOIQADDNSA-N 416.543 3.389 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccnc(Nc3ccccn3)n2)cc1 72377732 BEPYKAHPGACXKG-GOSISDBHSA-N 411.487 3.150 0 40 HGAB Cc1cc(C)c(S(=O)(=O)NCCSc2nc(-c3ccccc3)n[nH]2)c(C)c1 222974429 KWUIRKNTLSIVRE-UHFFFAOYSA-N 402.545 3.468 0 40 HGAB COCc1nnc(NC(=O)c2sc(N(Cc3ccccc3)C(C)=O)nc2C)s1 49551006 IZPBVHOGGJLSBV-UHFFFAOYSA-N 417.516 3.255 0 40 HGAB CCOc1cccc(NC(=O)[C@@H](C)N(c2cc(C)ccc2OC)S(C)(=O)=O)c1 220344291 REXPRXZEODODTR-OAHLLOKOSA-N 406.504 3.196 0 40 HGAB C[C@@H]1Cc2cc(S(=O)(=O)NCc3ccccn3)ccc2N1C(=O)c1ccccc1 223266995 IQMNEZYMWQOEGR-MRXNPFEDSA-N 407.495 3.152 0 40 HGAB COc1ccccc1CNC(=O)c1ccc(Oc2nccnc2N2CCOCC2)cc1 49006060 VZAWPGKLYZNTNE-UHFFFAOYSA-N 420.469 3.044 0 40 HGAB COC(=O)c1ccc(C)c(S(=O)(=O)Nc2sc3c(c2C(=O)OC)CCCC3)c1 223869502 MXQVBBZYKJUMAP-UHFFFAOYSA-N 423.512 3.309 0 40 HGAB COCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1Cc1ccccn1 223068671 IXNUTOLGSLCZKK-RTWAWAEBSA-N 407.543 3.335 0 40 HGAB CCOc1ccc([C@H](C)NC(=O)CN(c2ccc(C)cc2C)S(C)(=O)=O)cc1 44884410 XERRIDIKXJWMDA-KRWDZBQOSA-N 404.532 3.346 0 40 HGAB CCCCNS(=O)(=O)c1ccc(OCC(=O)N2c3ccccc3C[C@@H]2C)cc1 222721295 UHVNNRISMDESFZ-INIZCTEOSA-N 402.516 3.122 0 40 HGAB O=C(Nc1cccc(F)c1)[C@H]1CN(C(=O)NCc2ccccc2)CC12CCOCC2 96241099 QMXKVXVEHBUTPT-HXUWFJFHSA-N 411.477 3.403 0 40 HGAB COc1cc2c(cc1OC)CC(=O)N(CC(=O)NC13CC4CC(CC(C4)C1)C3)C=C2 96223998 LCFBJKNKKBFVEX-UHFFFAOYSA-N 410.514 3.144 0 40 HGAB Cc1ccc(N2CCN(CC(C)C)C3(CCN(Cc4nccs4)CC3)C2=O)cn1 96230372 ICUXHLYQYHOFAK-UHFFFAOYSA-N 413.591 3.186 0 40 HGAB CCC(=O)N1CCO[C@@H](c2cc(CCOc3cccc(C(F)(F)F)c3)n(C)n2)C1 257211481 BZAOXDMMRVJJEP-GOSISDBHSA-N 411.424 3.370 0 40 HGAB Cc1cc(N2CCC[C@H](C)C2)nc(NC(=S)NCc2ccc3c(c2)OCCO3)n1 260707981 CWQLBXKWHULXGS-AWEZNQCLSA-N 413.547 3.279 0 40 HGAB COc1cccc(NC(=O)N2CCC3(CC2)CC(=O)N(CC2CC2)c2cc(C)nn23)c1 1772596605 YFZVCYCSHVTOQS-UHFFFAOYSA-N 423.517 3.370 0 40 HGAB O=C(N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1)C12CC3CC(CC(C3)C1)C2 11003546 MFFALAJYDBFDLQ-UHFFFAOYSA-N 420.550 3.265 0 40 HGAB Cc1n[nH]c(C)c1CCC(=O)N1CCC[C@@H](n2c(=O)oc3ccc(Cl)cc32)C1 12184480 IFTHETKMAYEVEV-OAHLLOKOSA-N 402.882 3.384 0 40 HGAB Cc1nn(C)c(C)c1C(=O)C(=O)OCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 12731781 RIRYHCFCLHQUNW-UHFFFAOYSA-N 417.771 3.074 0 40 HGAB Cc1nn2c(=O)cc(COc3cccc(NC(=O)COc4ccccc4)c3)nc2s1 13367845 JINYQPSMAPVDKV-UHFFFAOYSA-N 422.466 3.056 0 40 HGAB CC[C@@H](C(=O)Nc1cccc(C(=O)OC)c1)N(c1ccc(Cl)cc1)S(C)(=O)=O 13715023 SXTYXOHNWLEDKQ-KRWDZBQOSA-N 424.906 3.310 0 40 HGAB CC[C@@H](C(=O)Nc1ccc2c(c1)OCO2)N(c1ccc(C)c(C)c1)S(C)(=O)=O 13716330 HBGCXPMTDFVIBA-KRWDZBQOSA-N 404.488 3.215 0 40 HGAB O=C(NCCOc1ccccc1)c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 14242793 QOJWNDCRTSNLFE-UHFFFAOYSA-N 414.458 3.435 0 40 HGAB Cc1cccc(-c2noc([C@@H]3Cc4[nH]cnc4CN3C(=O)CC(C)(C)CC(=O)O)n2)c1 15675882 GBQAQMIWQYBMGO-KRWDZBQOSA-N 423.473 3.285 0 40 HGAB biogenic,in-vitro O=C(CN1C(=O)COc2ccc(Cl)cc21)N[C@H](c1ccncc1)c1cccs1 19343008 BMLXWVPLEGSOMG-HXUWFJFHSA-N 413.886 3.428 0 40 HGAB CCCn1ncc(C(=O)Nc2ccc([C@@H]3NC(=O)c4cccnc4N3C)cc2)c1C 19525906 BDOJQLNXQNSCNP-LJQANCHMSA-N 404.474 3.127 0 40 HGAB CNCc1cc(N(C)C)nc([C@@H]2CCCN2C(=O)CCc2c[nH]c3ccccc23)n1 19760824 BYBOFPGKKYAUDY-FQEVSTJZSA-N 406.534 3.040 0 40 HGAB Cc1nn(C(C)C)c(C)c1CN1CCO[C@@H](c2cc(C(N)=O)c3ccccc3n2)C1 19762387 GNDSKHGXIQXXGZ-JOCHJYFZSA-N 407.518 3.301 0 40 HGAB Cc1nc([C@H]2CCCN(C(=O)c3cccnc3)C2)ncc1C(=O)NCc1ccccc1 19766389 SODDBVXQCMZGFN-FQEVSTJZSA-N 415.497 3.130 0 40 HGAB CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCCN(C(=O)c4cnn(C)c4)C3)cc2N1 12183573 LJJIUDYLPIZKMP-XNRPHZJLSA-N 410.444 3.334 0 40 HGAB O=C(c1ccc2nsnc2c1)N1CC[C@H](Oc2ccc(Br)cn2)C1 238970028 ZICKWVAAGYNXIO-LBPRGKRZSA-N 405.277 3.142 0 40 HGAB Cc1csc(NC(=O)CSc2ncnc3c2cnn3-c2ccc(F)cc2)n1 4341582 KWBKZEAZADWLNM-UHFFFAOYSA-N 400.464 3.450 0 40 HGAB CCOC(=O)Cc1csc(NC(=O)c2cccn(Cc3cccc(C)c3)c2=O)n1 5269771 SZWYREJHPZJNAC-UHFFFAOYSA-N 411.483 3.019 0 40 HGAB CCOc1ccc(NC(=O)Cn2cnc3c(cnn3-c3ccc(Cl)cc3)c2=O)cc1 9416394 CJLKJMMQVBUWFF-UHFFFAOYSA-N 423.860 3.273 0 40 HGAB CCOc1nn(CC)cc1-c1nnc(SCC(=O)N2CCCCCC2)n1CC 12422705 FVWUVKBFEPALCM-UHFFFAOYSA-N 406.556 3.075 0 40 HGAB CCCCn1c(=O)c(C(=O)NCc2ccc(OC)c(OC)c2)c(O)c2ccccc21 100621149 JHYFKZCLUMHMQQ-UHFFFAOYSA-N 410.470 3.454 0 40 HGAB Cc1nn(C)c2nc(C3CC3)cc(C(=O)N3CCN(C(=O)Nc4ccccc4)CC3)c12 40040398 KGDWLJHXEGZIOU-UHFFFAOYSA-N 418.501 3.144 0 40 HGAB COC(=O)C[C@H](NC(=O)c1ccc(OCc2nccn2C)cc1)c1ccc(C)cc1 40119576 VIRIOALZUFAICR-FQEVSTJZSA-N 407.470 3.342 0 40 HGAB Cc1ccnc(/N=c2\scc(-c3ccc4c(c3)CCN4S(C)(=O)=O)n2C)c1 101723452 WKPRSJSWUNATGY-VZCXRCSSSA-N 400.529 3.012 0 40 HGAB Cc1ccc2[nH]c(=O)c(CN(CCN(C)C)C(=S)NC3CCCCC3)cc2c1 880584 VQPQBGHHOCKXFE-UHFFFAOYSA-N 400.592 3.407 0 40 HGAB COc1ccc([C@H]2C=C(c3ccccc3)Nc3nc(NC(=O)CCC(=O)O)nn32)cc1 2256908 LCNZAUCAPFHYBC-GOSISDBHSA-N 419.441 3.146 0 40 HGAB O=C(CSC1=NC(=O)[C@@H](Cc2ccccc2)C(=O)N1)Nc1ccc2ccccc2c1 2730435 DHCRQKZTJXBYIJ-UHFFFAOYSA-N 417.490 3.383 0 40 HGAB CCOc1ccc(CCNC(=O)COC(=O)c2cccc(C)c2O)cc1OCC 3350629 LUAUNWQYQPUMPS-UHFFFAOYSA-N 401.459 3.014 0 40 HGAB C[C@H](C(=O)N1CCCc2ccccc21)N1C(=O)N[C@]2(CCCc3ccccc32)C1=O 3359315 DENLJLYFLGRLJI-GYCJOSAFSA-N 403.482 3.138 0 40 HGAB NC(=O)NCCCC(=O)OCC(=O)Nc1cc(Cl)ccc1Oc1ccccc1 3397479 SSQIWHIQYMFJST-UHFFFAOYSA-N 405.838 3.063 0 40 HGAB CC(=O)OCC(=O)[C@@]1(O)[C@H](C)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 4083573 WAFWZVAYLWXGLG-JHHSESFBSA-N 406.563 3.499 0 40 HGAB biogenic O=C(CSc1ncnc2c1nnn2Cc1ccccc1F)OCc1ccccc1 4166541 WITSPKXZHGXISU-UHFFFAOYSA-N 409.446 3.244 0 40 HGAB C[C@@H]1C[C@@H](C)CN(C(=O)Cn2c(SCC(=O)N3CCCC3)nc3ccccc32)C1 4859309 VMZILFKEIMVHQG-IAGOWNOFSA-N 414.575 3.255 0 40 HGAB O=C(CN1CCCCC1)N1CCC[C@H](c2nc(=O)c3c4c(sc3[nH]2)CCCC4)C1 4908505 WOIMYENWHHYGKA-HNNXBMFYSA-N 414.575 3.055 0 40 HGAB CCOC(=O)c1sc(NC(=O)CSc2nccn2C)nc1-c1ccccc1 4911709 AZWKUUDVOWOJLN-UHFFFAOYSA-N 402.501 3.451 0 40 HGAB COc1ccc(-c2noc(CCC(=O)NCCc3ccc(OC)c(OC)c3)n2)cc1 4933145 KITCHQFNWAKKPZ-UHFFFAOYSA-N 411.458 3.054 0 40 HGAB C[C@H](OC(=O)c1ccc(COc2ccccc2)o1)C(=O)Nc1ccc(C(N)=O)cc1 5039927 MNDRFISVNUOIQH-AWEZNQCLSA-N 408.410 3.142 0 40 HGAB C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)c1ccccc1SCC(=O)N(C)C 5349950 XITNVZMXSZSZRK-OAHLLOKOSA-N 412.511 3.002 0 40 HGAB COc1ccc(C2=NN(C(=O)CSc3nnc(C)n3C)[C@@H](c3ccco3)C2)cc1 5937269 FWAXSKYVWIRPPG-QGZVFWFLSA-N 411.487 3.195 0 40 HGAB Cc1sc2nc(CSCC(=O)Nc3ccc4c(c3)OCO4)[nH]c(=O)c2c1C 6618869 RPWFASGYGQBUGP-UHFFFAOYSA-N 403.485 3.202 0 40 HGAB COc1ccc(Br)cc1S(=O)(=O)NCCCN(C)c1ccccc1 7059303 BONDLMDWQNUODA-UHFFFAOYSA-N 413.337 3.263 0 40 HGAB Cc1ccc(CNC(=O)[C@@H](C)Sc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)cc1 7095159 QABBHJNUYKIYSN-OAHLLOKOSA-N 419.510 3.214 0 40 HGAB O=C1c2ccccc2C(=O)N1CN(CN1C(=O)c2ccccc2C1=O)c1ccccc1 7468023 NZWNOSGSSIOEIV-UHFFFAOYSA-N 411.417 3.000 0 40 HGAB COc1cccc(CNC(=O)COC(=O)c2c(C)nn(-c3ccccc3)c2Cl)c1 7478379 MNEDBMYLSJWXGK-UHFFFAOYSA-N 413.861 3.316 0 40 HGAB O=C(c1cccc(Cl)c1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 7595137 HAMLRQLBEPSBLX-UHFFFAOYSA-N 418.946 3.366 0 40 HGAB CCOc1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc(Cl)cc3)C2=O)cc1 7698957 OQVMUFYDOLRBKT-FQEVSTJZSA-N 401.850 3.144 0 40 HGAB CC(C)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NCc1ccc2c(c1)OCO2 7911834 AASLNMVZYVCENL-WWKNUYBVSA-N 412.530 3.389 0 40 HGAB Cc1ccc(CN(C)C(=O)CN2C(=O)N[C@@](C)(c3cc(F)ccc3F)C2=O)c(C)c1 7938662 KUZFPMNKMOFJKW-QFIPXVFZSA-N 415.440 3.007 0 40 HGAB COc1cc(OC)cc([C@@H](NS(=O)(=O)c2cccc(Cl)c2)c2nccn2C)c1 8720038 QLKYNQOQLMWRHU-GOSISDBHSA-N 421.906 3.159 0 40 HGAB Cc1cccc(N2C(=O)N(c3cccc(Br)c3)[C@H]3CS(=O)(=O)C[C@@H]32)c1 8828029 KWNCWKOSRRULPN-IRXDYDNUSA-N 421.316 3.370 0 40 HGAB O=S(=O)(NCCOc1ccc(-c2ccc(F)cc2)nn1)c1cccc(Cl)c1 9852931 UVVZIULEOXCHDG-UHFFFAOYSA-N 407.854 3.293 0 40 HGAB O=C(COC(=O)C1CCN(C(=O)c2cccs2)CC1)Nc1cccc2ncccc12 10374163 WDCCFLCFBXLWPK-UHFFFAOYSA-N 423.494 3.330 0 40 HGAB CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(F)cc3)CC2)cc1 11553003 DTPALXPNAQYZPT-UHFFFAOYSA-N 404.463 3.068 0 40 HGAB COc1cc2cc(N)c(C3CCN(C(=O)CCn4ccc(C)n4)CC3)nc2cc1OC 12087954 AWOSQJZSNVIXEK-UHFFFAOYSA-N 423.517 3.135 0 40 HGAB Cc1cc(=O)c(OCc2ccccc2F)cn1CC(=O)Nc1ccc2c(c1)OCCO2 12230387 YGDMKQYYJSPKHZ-UHFFFAOYSA-N 424.428 3.285 0 40 HGAB COc1ccc(C(=O)N[C@@H]2CCSc3c(F)cccc32)cc1S(=O)(=O)N(C)C 12621810 MBTNUGNLTLVDBF-OAHLLOKOSA-N 424.519 3.052 0 40 HGAB Cc1nn(CC(=O)N2CCC(c3noc(-c4ccccn4)n3)CC2)c(C)c1Cl 12668827 KSUOXIOZVVKXQG-UHFFFAOYSA-N 400.870 3.005 0 40 HGAB O=C(CSc1nc(CN2CCOCC2)nc2ccccc12)c1ccc2c(c1)OCO2 12877243 QPDQLGYDFOGUOF-UHFFFAOYSA-N 423.494 3.166 0 40 HGAB C[C@@]12CCC(=O)N1[C@@H](C(=O)Nc1nnc(SCc3ccccc3F)s1)CS2 12922880 SYDZQFBYAXVHLX-SJKOYZFVSA-N 424.548 3.362 0 40 HGAB Cc1cccc(C(=O)N[C@H](CCS(C)(=O)=O)C(=O)Nc2ccc(C)c(Cl)c2)c1 12924685 KHXXGZCEUPNWBN-GOSISDBHSA-N 422.934 3.129 0 40 HGAB C[C@H](C(=O)N1c2ccccc2C[C@H]1C)N1C(=O)N[C@@](C)(c2ccc3c(c2)CCC3)C1=O 13113347 KXLDGFJIPBETNP-RKPUJPDHSA-N 417.509 3.309 0 40 HGAB Cc1nn2c(=O)cc(COc3ccccc3NC(=O)c3cccc(F)c3)nc2s1 13367798 SXRLCUCCPCFELG-UHFFFAOYSA-N 410.430 3.430 0 40 HGAB CCOc1ccc(CNC(=O)CN(c2ccc(Cl)cc2C)S(C)(=O)=O)cc1 13674642 UONNCHWOOQDRDX-UHFFFAOYSA-N 410.923 3.130 0 40 HGAB COc1ccc(/C=C/C(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)cc1OC 14000292 DCDGDOSKBLSDNJ-JICACKBISA-N 410.470 3.265 0 40 HGAB COc1ccc(-n2nnc(-c3nc(-c4ccc5c(c4)OCO5)no3)c2C)cc1OC 15731615 ZZTOOSKDLPKIOE-UHFFFAOYSA-N 407.386 3.039 0 40 HGAB Cc1cc(F)ccc1S(=O)(=O)Nc1ccc(Cl)c(N2CCCS2(=O)=O)c1 15780574 IBOWJOQHTBEHDV-UHFFFAOYSA-N 418.899 3.128 0 40 HGAB Cc1ccc(-c2noc(CSc3n[nH]c(=O)c4cc(-c5ccco5)nn34)n2)cc1 16844168 SLBBNBIHLGTLKS-UHFFFAOYSA-N 406.427 3.328 0 40 HGAB O=S(=O)(c1ccc2c(c1)OCCO2)N1CCC[C@@H]1c1nnc(-c2ccsc2)o1 19346290 CUNVXWXENRNMLV-CQSZACIVSA-N 419.484 3.095 0 40 HGAB COc1ccc([C@H]2c3nc[nH]c3CCN2C(=O)[C@H]2COc3c(cccc3OC)C2)cc1 19553984 CISXSQPTQPKMJL-VGSWGCGISA-N 419.481 3.152 0 40 HGAB CN(CCC(=O)Nc1ccc2c(c1)N(S(C)(=O)=O)CCC2)c1ccc(F)cc1 19655192 MTVFYSOXYDIKJC-UHFFFAOYSA-N 405.495 3.003 0 40 HGAB O=C(C[C@@H]1C=CCC1)N1CCC(c2ccc3c(NCc4ncc[nH]4)n[nH]c3n2)CC1 19745166 WVZYCSMNRACQPQ-OAHLLOKOSA-N 405.506 3.355 0 40 HGAB C[C@H](CN(C)C(=O)Cn1cccc(C(=O)NC2CCCCC2)c1=O)c1ccccc1 19749987 GTSNNLUQLJAAOP-GOSISDBHSA-N 409.530 3.173 0 40 HGAB COc1cccc(C(=O)N2CC[C@@H](C(=O)Nc3cccc(Cn4cccn4)c3)C2)c1 19750457 ISKQZBFPHXQYPU-LJQANCHMSA-N 404.470 3.041 0 40 HGAB O=C(C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1)N1CCc2ccccc21 20050542 LWNRMQWQNDNCEV-UHFFFAOYSA-N 418.946 3.471 0 40 HGAB O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccccc2F)N1CCCN1CCOCC1 20219622 VUONXWKIRCJERR-NRFANRHFSA-N 422.456 3.200 0 40 HGAB COCCNc1nc2sc3c(c2c(=O)n1-c1cccc(Cl)c1)CCN(C)C3 20461586 IUIKSQGWGIQJKK-UHFFFAOYSA-N 404.923 3.147 0 40 HGAB C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)N1CCN(C[C@@H]2CCCO2)CC1 22056397 NHDGPRQUKLTQJY-OFNKIYASSA-N 407.558 3.077 0 40 HGAB CCOC(=O)N1CCC(C(=O)Nc2nc(CN3C[C@@H](C)C[C@@H](C)C3)cs2)CC1 22293458 PIBGNJNPMFXVMC-GASCZTMLSA-N 408.568 3.428 0 40 HGAB COCc1nc(N2CCN(c3ccc(F)cc3)CC2)[nH]c(=O)c1CCc1ccccc1 22448750 QUIRNEFBPLGIFR-UHFFFAOYSA-N 422.504 3.167 0 40 HGAB CNC(=O)c1cc(S(=O)(=O)N[C@@H](CC(C)C)c2ccc(OC)cc2)ccc1OC 22512466 ZEQPOLNJIFFMJZ-IBGZPJMESA-N 420.531 3.129 0 40 HGAB COc1ccccc1N1CCN(C[C@H](O)COC23CC4CC(CC(C4)C2)C3)CC1 23114556 GRFCCEHKBSRLAQ-PQCJFMQRSA-N 400.563 3.164 0 40 HGAB O=C(Nc1cc(Cl)ccc1Cl)c1c2c(nn1[C@@H]1CCS(=O)(=O)C1)CCC2 23136964 VTCJOVGKIDSTDE-LLVKDONJSA-N 414.314 3.291 0 40 HGAB COC(=O)c1ccc(CNC(=O)CNC(=O)c2sc3ccccc3c2Cl)cc1 24766323 CMSLYSMOPMIJMG-UHFFFAOYSA-N 416.886 3.388 0 40 HGAB O=C(Cc1c[nH]c2ccccc12)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21 30062859 GNHPRXXWSCQMOW-UHFFFAOYSA-N 423.538 3.474 0 40 HGAB CSc1ncc(C(=O)O[C@H](C)C(=O)Nc2c(C)nn(C)c2C)n1-c1ccccc1 32747352 NSVXXHVMOBTELA-CQSZACIVSA-N 413.503 3.129 0 40 HGAB Cc1ccc(Cc2cnc(NC(=O)CCn3nnc4ccccc4c3=O)s2)cc1F 32817109 MSUBOPIUKFGJBW-UHFFFAOYSA-N 423.473 3.315 0 40 HGAB O=C(CN1CCOCC1)Nc1ccc(NC(=O)c2sccc2-n2cccc2)cc1 32899258 YFEFAOUEYKACDC-UHFFFAOYSA-N 410.499 3.062 0 40 HGAB COc1ccccc1-c1nc(Cn2nnc(C(=O)Nc3cccc(F)c3)c2N)c(C)o1 33291717 XAXSWDVVPSWBKL-UHFFFAOYSA-N 422.420 3.272 0 40 HGAB CCn1c(SCC(=O)N2CCc3ccccc32)nnc1-c1ccc2c(c1)OCO2 35313328 PRVRMEZOHOOKTP-UHFFFAOYSA-N 408.483 3.375 0 40 HGAB O=C1COc2ccc(NC(=O)c3cnn(-c4ccccc4F)c3-n3cccc3)cc2N1 36393343 CNEJQUPBSRFCLK-UHFFFAOYSA-N 417.400 3.385 0 40 HGAB C[C@@]1(c2ccc(Cl)cc2Cl)NC(=O)N(CC(=O)c2ccc3c(c2)OCO3)C1=O 36772810 FBTLPQOXARYDMQ-IBGZPJMESA-N 421.236 3.372 0 40 HGAB C[C@H](OC(=O)c1ccc(F)cc1Cl)C(=O)Nc1sc2c(c1C(N)=O)CCC2 39995738 KGWYDJBSEXPHNY-QMMMGPOBSA-N 410.854 3.312 0 40 HGAB C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)Nc1ccc(OC(F)(F)F)cc1 40097091 GYRYRSCJHFAXKY-LLVKDONJSA-N 417.409 3.458 0 40 HGAB Cc1cccc(NC(=O)[C@@H]2CC(=O)Nc3nc(Nc4ccc(F)cc4)[nH]c(=O)c32)c1 40399607 IXEROBORZJMRCR-OAHLLOKOSA-N 407.405 3.026 0 40 HGAB CCc1noc(CN2Cc3ccccc3C[C@H]2C(=O)NCCc2ccc(F)cc2)n1 48299951 RUGAGNHGKCIIQG-FQEVSTJZSA-N 408.477 3.057 0 40 HGAB C[C@@H](NC(=O)Cn1nnc(COc2ccccc2)n1)c1cccc(C(F)(F)F)c1 48326022 XHUDHHCCUSCFCA-CYBMUJFWSA-N 405.380 3.148 0 40 HGAB COc1ccc(-n2cc(C(=O)O)c3c2[C@H](c2cccc(O)c2)CC(=O)N3)c(OC)c1 49543345 FAQGMGXIIKKCNR-HNNXBMFYSA-N 408.410 3.372 0 40 HGAB biogenic CCOc1cc(/C=C/C(=O)Nc2cccc(CN3CCN(C)CC3)c2)ccc1OC 57054144 WGFJHENSHGNUDY-PKNBQFBNSA-N 409.530 3.493 0 40 HGAB CCCCn1c(=O)c2sccc2n(CC(=O)Nc2cc(F)ccc2Cl)c1=O 57427330 LVHAUILLXXSZPP-UHFFFAOYSA-N 409.870 3.456 0 40 HGAB CC(=O)c1cccc(NC(=O)Cn2c(=O)c3nnc(C(C)C)n3c3ccccc32)c1 57522543 AUUTWZSVUCFCBM-UHFFFAOYSA-N 403.442 3.009 0 40 HGAB COc1ccc(C(=O)CSc2nnc3c(=O)n(-c4ccc(F)cc4)ccn23)cc1 64593269 RGBOVNDBIRZGCC-UHFFFAOYSA-N 410.430 3.003 0 40 HGAB COc1ccc(NC(=O)[C@@H](C)n2nc(-c3ccc(C)cc3)cc(NC(C)=O)c2=O)cc1 64604923 ITYUFNCTEUJJRX-OAHLLOKOSA-N 420.469 3.385 0 40 HGAB C[C@@]1(c2cccc(C(N)=O)c2)NC(=O)N(Cc2csc(-c3ccc(F)cc3)n2)C1=O 69455246 WEYVEJYAXFKLJZ-NRFANRHFSA-N 424.457 3.015 0 40 HGAB COc1cc(NC(=O)NCc2cccc(Cn3ccnc3)c2)ccc1N1CCCC1=O 69816243 MXSVBKSTPOOEBA-UHFFFAOYSA-N 419.485 3.389 0 40 HGAB CC(C)(C)OC(=O)N[C@@H](C(=O)N1CC[C@@H](c2ccnc3nccn23)C1)c1ccccc1 72360652 GULOGFYHBWXRTA-IEBWSBKVSA-N 421.501 3.311 0 40 HGAB Cc1cc(-c2cncnc2)cc([C@@H]2CCN(C(=O)CCc3nnc(C(C)C)o3)C2)n1 72374723 AWUUOQXNYLWNPX-MRXNPFEDSA-N 406.490 3.302 0 40 HGAB CCCn1cc(CN2C[C@H](c3cn(C)c4ccc(OC)cc34)[C@@H](NC(=O)CC)C2)cn1 72395730 NOYHQELHIVVRKP-YADHBBJMSA-N 423.561 3.288 0 40 HGAB CN(CC(=O)N[C@@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C)C(=O)c1cccs1 78877552 CYKUXIKCLVBMAN-LSDHHAIUSA-N 409.552 3.020 0 40 HGAB CCO[C@H]1C[C@@H](NC(=O)c2cc(S(=O)(=O)N3CCCC3)c(C)o2)C12CCCCC2 78878986 YIUULACTONHGIB-MOPGFXCFSA-N 424.563 3.230 0 40 HGAB O=C(CCNS(=O)(=O)c1ccccc1F)OCc1ncc(-c2ccc(F)cc2)o1 78958566 DTMXOFKHBWLDBF-UHFFFAOYSA-N 422.409 3.032 0 40 HGAB CCN(CC)C(=O)[C@@H](c1ccccc1)S(=O)(=O)Cc1nc2ccccc2nc1C 84765778 YWQYMABWDYUMRL-OAQYLSRUSA-N 411.527 3.463 0 40 HGAB C[C@H]1Cc2cc(C(=O)OCc3cn4cc(Cl)ccc4n3)ccc2N1S(C)(=O)=O 95469929 AMHHUBBCOCGIIP-LBPRGKRZSA-N 419.890 3.055 0 40 HGAB COc1ccc([C@H]2SCC(=O)Nc3c2c(O)nn3C2CCSCC2)cc1OC 96116698 YSUKAXRDIXLYJY-QGZVFWFLSA-N 421.544 3.449 0 40 HGAB O=C(CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)Nc1cccc(COc2cccc(F)c2)c1 102798662 OMQKPMQEHWGOSG-WOJBJXKFSA-N 408.429 3.294 0 40 HGAB CCCCOC(=O)c1ccc(NS(=O)(=O)c2cc(C(=O)OC)ccc2F)cc1 109067448 IWBMKRDYLMJTDJ-UHFFFAOYSA-N 409.435 3.370 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NC34CC5CC(CC(C5)C3)C4)C2)cc1 169106632 GBJCZVJZHBIBSF-LIPMQLJGSA-N 416.587 3.481 0 40 HGAB CC[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc(C)c(C)c1 219991749 UDVXYYOLQDVUMG-OAQYLSRUSA-N 416.543 3.205 0 40 HGAB CC(C)NC(=O)c1ccccc1NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1Cl 222514334 ILCWKJJREWEILB-UHFFFAOYSA-N 423.922 3.126 0 40 HGAB CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(OC)c(OC)c1 222805264 VANWZAGOBVTUKS-AWEZNQCLSA-N 404.894 3.063 0 40 HGAB CC[C@H](NC(=O)CN(Cc1ccccc1F)S(C)(=O)=O)c1ccc(C)c(C)c1 222837892 JUBPKXCLMTVIOR-FQEVSTJZSA-N 406.523 3.472 0 40 HGAB COc1ccc(CN(C(C)=O)[C@H](Cc2ccccc2)C(=O)NCc2ccccn2)cc1 223260321 FPPOYWKIERXYDK-XMMPIXPASA-N 417.509 3.366 0 40 HGAB COCc1cccc(NS(=O)(=O)c2nnc(NC(=O)c3cccc(C)c3)s2)c1 225188809 WKWRNDFEKVRZDP-UHFFFAOYSA-N 418.500 3.046 0 40 HGAB COc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(SC)cc2)cc1Cl 225772900 BYVYCPDQGCZJOO-UHFFFAOYSA-N 414.936 3.330 0 40 HGAB C[C@@H](CCc1ccccc1)NC(=O)C[C@H](NS(C)(=O)=O)c1ccc(Cl)cc1 225952829 OWRUNBBUXROQDO-KXBFYZLASA-N 408.951 3.458 0 40 HGAB CCS(=O)(=O)Nc1cccc(C(=O)N2CCc3cc(Br)ccc32)c1 225968889 JAEHTNSZEYNWAP-UHFFFAOYSA-N 409.305 3.414 0 40 HGAB C[C@@H]1CN(c2ncc3c(n2)CC(C)(C)C[C@@H]3NC(=O)C[C@H]2CCCCO2)C[C@@H](C)O1 248338573 RSHMGTHGLVTIQM-MTNOOBJLSA-N 416.566 3.179 0 40 HGAB COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)N(c2ccc(C)cc2)S(C)(=O)=O)c1 260836974 CDBCKNJWELZUOE-HOTGVXAUSA-N 420.531 3.044 0 40 HGAB CN([C@H](C(=O)NCCSc1ccc(Cl)cc1)c1ccccc1)S(C)(=O)=O 260837030 CQFPHEVDWXKREU-KRWDZBQOSA-N 412.964 3.181 0 40 HGAB Cc1ccc([C@H]2[C@@H](NC(=O)c3ccccc3)C(=O)N/[N+]2=C\c2ccc(F)cc2)cc1 409055250 KPGPSFBRTPMUJR-WXUIRWOTSA-O 402.449 3.150 0 40 HGAB COc1ccc(C(=O)N[C@@H]2C(=O)N/[N+](=C\c3ccc(C)cc3)[C@H]2c2ccccc2)cc1 409072753 SHFZIPDYQJCLRN-LIFFMEMSSA-O 414.485 3.020 0 40 HGAB C[C@H](NC(=O)C1CCN(C(=O)COc2ccccc2)CC1)c1ccc(F)c(F)c1 506574514 CLULZKKJEHIGPX-HNNXBMFYSA-N 402.441 3.460 0 40 HGAB Cn1cc([C@H]2[C@H](CNC(=O)[C@@H]3C[C@H]3c3ccc(F)cc3)CC(=O)N2C(C)(C)C)cn1 583621881 KEFSVENYZIEBAN-XJRBWHPUSA-N 412.509 3.167 0 40 HGAB Cc1ccccc1OC[C@@]1(O)COCCN(C[C@]2(O)CC[C@@H](C(C)(C)C)CC2)C1 585287605 PLEPWSABVDIVHH-ZTCOLXNVSA-N 405.579 3.405 0 40 HGAB Cc1nc2ccccc2c(=O)n1CC1CCN(Cc2nnc(C(F)(F)F)o2)CC1 1849468737 PDOBJVJYPXWEHL-UHFFFAOYSA-N 407.396 3.019 0 40 HGAB O=c1cccc2n1C[C@H]1C[C@@H]2CN(C[C@@H](O)Cn2c3ccccc3c3ccccc32)C1 2147868 GLQDHYZYYYRCEH-XUVXKRRUSA-N 413.521 3.436 0 40 HGAB biogenic N#C[C@H](C(=O)CSc1nnc(Nc2ccccc2)s1)C(=O)NCc1ccccc1 3325339 QZKOXMATPWMVEQ-MRXNPFEDSA-N 423.523 3.399 0 40 HGAB COc1cc(/C=C2/NC(=O)N(Cc3ccc(Br)cc3)C2=O)ccc1O 4548354 XJYYFKIMUPQPRK-RIYZIHGNSA-N 403.232 3.256 0 40 HGAB CCS(=O)(=O)c1ccccc1C(=O)N1CCN(c2nc3ccccc3s2)CC1 4585754 SGFUKCNLAKYDQX-UHFFFAOYSA-N 415.540 3.052 0 40 HGAB CCN(CC)C(=O)CSc1nnc2scc(-c3cc(OC)ccc3OC)n12 4967231 UBTPSEBKZWMJNV-UHFFFAOYSA-N 406.533 3.436 0 40 HGAB Nn1c(Cc2ccccc2)nnc1SCC(=O)Nc1cccc(C(F)(F)F)c1 5257438 IGQDIZRZZCLZBV-UHFFFAOYSA-N 407.421 3.332 0 40 HGAB O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)c1n[nH]c2ccccc12 5266899 CKJNZXRQEOVMBQ-UHFFFAOYSA-N 404.879 3.253 0 40 HGAB CCNC(=O)NC(=O)[C@@H](Sc1nnc(Cc2csc(C)n2)o1)c1ccccc1 5834965 IUYUDIDWNXIHTG-HNNXBMFYSA-N 417.516 3.104 0 40 HGAB CC(=O)Nc1ccc(NC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc1 6082983 SNBZXPKBIUGDMK-UHFFFAOYSA-N 410.499 3.393 0 40 HGAB C[C@H](Sc1nnc(-c2ccccc2F)n1N)C(=O)N[C@@H]1CCCc2ccccc21 6532871 AEVQCAXCHUGASK-SCLBCKFNSA-N 411.506 3.472 0 40 HGAB COc1ccccc1/C=C/C(=O)N1CCN(C(=O)/C=C/c2ccccc2OC)CC1 6848742 ZZMNBZWODDONPM-PHEQNACWSA-N 406.482 3.101 0 40 HGAB CCN(CC)C(=O)[C@H](Sc1nnc(-c2ccc(OC)cc2)n1N)c1ccccc1 7112381 WAANBTIZEABZLP-GOSISDBHSA-N 411.531 3.369 0 40 HGAB O=S(=O)(c1ccc(Cl)cc1)N1CCC(c2nc(-c3cccnc3)no2)CC1 7701542 IQWCMOFZIDGHON-UHFFFAOYSA-N 404.879 3.353 0 40 HGAB COCCn1c(S[C@H](C)C(=O)NCC2CCCCC2)nc2ccccc2c1=O 8229950 MYHRDKXVIMWPPP-OAHLLOKOSA-N 403.548 3.220 0 40 HGAB O=C(c1ccc(-c2ccc(F)cc2)s1)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 9223819 SRNWILJKVZBSSP-IAGOWNOFSA-N 423.531 3.363 0 40 HGAB CC[C@@H](C)[C@H](NC(=O)[C@H](C)Oc1ccc2c3c(c(=O)oc2c1)CCCC3)C(=O)O 11866831 MGHCIGMRLGCRMV-NQCMUKECSA-N 401.459 3.055 0 40 HGAB COc1ccc2c(c1)OC1(CCN(C[C@@H](O)c3ccc4c(c3)CCO4)CC1)C[C@@H]2O 12329298 YUPQQSBWLXTTIU-LEWJYISDSA-N 411.498 3.014 0 40 HGAB CC(=O)c1ccc(NC(=O)Cn2ccn3nc(-c4ccc(C)cc4)cc3c2=O)cc1 12414433 ZRPWKNNZKXZEJH-UHFFFAOYSA-N 400.438 3.313 0 40 HGAB CCOc1cc(C(=O)Nc2nnc(-c3cc(C)n(C)n3)o2)cc(OCC)c1OCC 12443065 YMQHOXBABLJHQL-UHFFFAOYSA-N 415.450 3.227 0 40 HGAB COC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc(OC)c(OC)c2)cc1 12737237 MTGQLWLWVCIQTB-QGZVFWFLSA-N 405.472 3.016 0 40 HGAB Cc1nn(-c2ccc(F)cc2)c2nc3c(cc12)CN(CCCN1CCCC1=O)C(=O)O3 12754905 OFQZQKVXDKYBBI-UHFFFAOYSA-N 423.448 3.195 0 40 HGAB CC[C@@]1(c2ccccc2)NC(=O)N(CN2CCN(c3cccc(Cl)c3)CC2)C1=O 13098126 SQTAHUYXQDMTCY-QFIPXVFZSA-N 412.921 3.277 0 40 HGAB COc1ccc(F)cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(C)cc2)C1 13580597 IATLQOBIDGTSCQ-OAHLLOKOSA-N 406.479 3.182 0 40 HGAB CCCCNC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1 13679047 CVRPKEHBNKCQCF-CQSZACIVSA-N 407.363 3.452 0 40 HGAB CNS(=O)(=O)c1ccc(NC(=O)c2cc(-c3ccncc3)nc3ccccc23)cc1 14415340 FMJJTRJKQDVMKW-UHFFFAOYSA-N 418.478 3.457 0 40 HGAB CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)Nc1cccc(Cl)c1)n2C 15413348 MUEHNHRPZKIARB-UHFFFAOYSA-N 420.922 3.048 0 40 HGAB Cc1ccc(NC(=S)NN2C(=O)N[C@@](C)(c3ccc(OC(F)F)cc3)C2=O)cc1 16308506 XHAZJBHVERTCTO-IBGZPJMESA-N 420.441 3.265 0 40 HGAB NC(=O)c1c(NC(=O)COC(=O)c2ccc(-n3cccc3)cc2)sc2c1CCCC2 17182826 AMXRQKYOQAOHKC-UHFFFAOYSA-N 423.494 3.312 0 40 HGAB O=S(=O)(c1ccc(CNCc2c(Cl)cccc2Cl)cc1)N1CCOCC1 17317397 BINFZKCBOJHCOK-UHFFFAOYSA-N 415.342 3.304 0 40 HGAB COc1ccc(C(=O)OCc2cc(=O)n3cc(Cl)ccc3n2)cc1Br 19357671 KEUSPVGNZXOGCZ-UHFFFAOYSA-N 423.650 3.476 0 40 HGAB COc1cccc(-n2cccc2CN2CCc3c(nc(-c4ccncc4)[nH]c3=O)C2)c1 19566840 MEPCMNXHWRKFDB-UHFFFAOYSA-N 413.481 3.190 0 40 HGAB CCn1cc(-c2cc(C(=O)N3CCc4[nH]cnc4[C@H]3c3ccc(OC)cc3)no2)cn1 19665185 HAKBGPCPVJUKFD-OAQYLSRUSA-N 418.457 3.078 0 40 HGAB CN(C)c1ncc(-c2cnn(C)c2)c([C@@H]2CCCCN2C(=O)Cc2ccccc2)n1 19694835 FASNDHULJGYWGN-FQEVSTJZSA-N 404.518 3.239 0 40 HGAB Cc1nn(-c2ccccc2)c(C)c1CCC(=O)N[C@H]1CC(=O)N(c2ccccc2F)C1 19717241 QBRZSYWWBKOQJR-SFHVURJKSA-N 420.488 3.483 0 40 HGAB Cc1nc(C2CCN(C(=O)c3cccnc3)CC2)ncc1C(=O)Nc1ccccc1 19766418 BZJZHHIPGKDGHV-UHFFFAOYSA-N 401.470 3.452 0 40 HGAB COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NCC(C)C)cc1Cl 20005893 XUXXPKHJEIMLCD-GOSISDBHSA-N 424.950 3.010 0 40 HGAB CCNC(=O)N[C@H]1CC[C@]2(C)CC[C@H]([C@H](C)C(=O)NC3CCCC3)[C@H](O)[C@H]2[C@@H]1C 20467293 FEPMSVXKNBDZGF-HKOCDWSSSA-N 407.599 3.192 0 40 HGAB biogenic,in-vitro CCNS(=O)(=O)c1ccc(C(=O)Nc2nc(C)c(-c3ccccn3)s2)cc1 23502183 YYXOOWRWJRYLSU-UHFFFAOYSA-N 402.501 3.064 0 40 HGAB CCOC(=O)c1sc2ncnc(NCC(C)(C)N3C[C@H](C)O[C@@H](C)C3)c2c1C 24528292 JWKGELGXBMFBEC-STQMWFEESA-N 406.552 3.476 0 40 HGAB CCCn1ccnc1SCC(=O)Nc1cccc(S(=O)(=O)N(CC)CC)c1 24983465 RBBLFJXIPXZPDR-UHFFFAOYSA-N 410.565 3.054 0 40 HGAB CC(C)(C)c1ccc(OC[C@H](O)Cn2c(CS(C)(=O)=O)nc3ccccc32)cc1 25062784 IYRDILCVDRALHR-QGZVFWFLSA-N 416.543 3.318 0 40 HGAB Cc1sc2nc(S[C@@H](C)C(=O)N3CCNC3=O)n(C3CCCC3)c(=O)c2c1C 25714244 NOSLSHADIAFUSO-LBPRGKRZSA-N 420.560 3.222 0 40 HGAB C[C@H]1CCCC[C@@]12NC(=O)N(CN(Cc1ccc(C(=O)NC3CC3)cc1)C1CC1)C2=O 27539125 UGRAGBZLSPGRPL-UPCLLVRISA-N 424.545 3.001 0 40 HGAB CCOc1cc2c(cc1CNC(=O)CCN1C(=O)c3ccc(C)cc3C1=O)O[C@@H](C)C2 29704691 LEDWICYYSVQRKL-HNNXBMFYSA-N 422.481 3.020 0 40 HGAB Cc1nc(COc2ccccc2C(=O)NCc2ccc(N3CCCC3=O)cc2)no1 30399172 SUVAMFZRCOMOQD-UHFFFAOYSA-N 406.442 3.014 0 40 HGAB CN1CCC2(CC1)C[C@@H](NS(=O)(=O)c1ccc(F)cc1F)c1ccccc1O2 31583884 CUHSGSVEGZSJIS-QGZVFWFLSA-N 408.470 3.231 0 40 HGAB O=C1OCCN1c1cccc(NS(=O)(=O)c2ccc(Br)s2)c1 31720004 OBPFSMMQZBTUCK-UHFFFAOYSA-N 403.279 3.268 0 40 HGAB CCN(CC)[C@@H](CNC(=O)[C@H]1CCCN(C(=O)c2ccco2)C1)c1ccsc1 31984576 VBHHOOQOVGGJLV-WMZOPIPTSA-N 403.548 3.393 0 40 HGAB COc1cc2c(cc1OC)C(=O)[C@H](Sc1nnnn1-c1ccc(Cl)cc1)C2 32095455 TUOFNAVCCOZAIT-MRXNPFEDSA-N 402.863 3.233 0 40 HGAB Cc1cc(C(=O)O[C@H](C)C(=O)c2ccc(NS(C)(=O)=O)cc2)c(C)n1C(C)C 32672063 MUZDGJHJNHQBQY-OAHLLOKOSA-N 406.504 3.486 0 40 HGAB COc1cc(I)c(Cl)cc1C(=O)N1C[C@@H](C)O[C@H](C)C1 32815601 VYLGSCWUQDGHSM-RKDXNWHRSA-N 409.651 3.203 0 40 HGAB O=C(Nc1cccc(CNC(=O)[C@H]2CCCN(C(=O)Cc3ccccc3)C2)c1)C1CC1 32816433 PSPVYRZGKBBXNN-NRFANRHFSA-N 419.525 3.133 0 40 HGAB Cc1cccc(NC(=O)NC(=O)CSc2nnc(NC[C@@H]3CCCO3)s2)c1C 32830300 DOCPEBOCSURTMV-ZDUSSCGKSA-N 421.548 3.186 0 40 HGAB CCCOc1ccc(CNC(=O)CCn2cnc3c([nH]c4ccccc43)c2=O)cc1 35424149 MPMZPQLPGRMADK-UHFFFAOYSA-N 404.470 3.373 0 40 HGAB Cc1nc(COc2ccc(F)cc2)sc1C(=O)NCCC(=O)Nc1ccccn1 40105350 RNGMBNSJBHSQQD-UHFFFAOYSA-N 414.462 3.323 0 40 HGAB COc1ccc(Cc2cnc(NC(=O)C3CCN(c4ncccn4)CC3)s2)cc1 40132652 PBNQGLLSSUFQOP-UHFFFAOYSA-N 409.515 3.388 0 40 HGAB Cn1ccnc1COc1ccc(COC(=O)CCCNC(=O)c2cccs2)cc1 40134853 JMZBVEWSCVEVPB-UHFFFAOYSA-N 413.499 3.314 0 40 HGAB CSc1nnc(CCCNC(=O)[C@@H]2CC(c3ccccc3)=NO2)n1C1CCCC1 40157238 RSASHBODGVOAMC-SFHVURJKSA-N 413.547 3.357 0 40 HGAB Cc1nc2ccc(C(=O)Nc3ccccc3N3CCC(C(N)=O)CC3)cc2nc1C 58156731 HBSAWVIDAKEUBT-UHFFFAOYSA-N 403.486 3.201 0 40 HGAB CN(C)[C@H](CNC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl)C1CCCCC1 58173740 CSAVRDPWNPSSFJ-QGZVFWFLSA-N 401.960 3.376 0 40 HGAB C[C@H](NC(=O)N1CCN(c2ccccn2)CC1)C(=O)Nc1cccc2ccccc12 61718051 SOOOZOJAWALLPH-KRWDZBQOSA-N 403.486 3.094 0 40 HGAB O=C(Cn1ncn2nc(-c3cccc4ccccc34)cc2c1=O)NCc1ccccc1 67208319 XGSCDWHEKITHQC-UHFFFAOYSA-N 409.449 3.028 0 40 HGAB Cc1ccc2[nH]nc(C(=O)N(C)C[C@H](O)COc3ccccc3C(F)(F)F)c2c1 72310416 SFZGETWXNGDRBA-ZDUSSCGKSA-N 407.392 3.402 0 40 HGAB O=C(c1ccc2c(c1)OCO2)N1CCCC[C@H]1CCn1nc2c(cc1=O)CCCCC2 72342415 HRCNHEAKUDCFEI-IBGZPJMESA-N 423.513 3.326 0 40 HGAB CCc1ccc2[nH]c(=O)c(CNc3ccc(N4CCC(C(N)=O)CC4)cc3)cc2c1 72396160 IOVCQVFZDXVJOE-UHFFFAOYSA-N 404.514 3.404 0 40 HGAB CC(C)c1nc([C@H](C)Nc2ccc(S(C)(=O)=O)cc2S(C)(=O)=O)cs1 84630956 MOLLIPOGZNESGE-NSHDSACASA-N 402.563 3.247 0 40 HGAB CC1CCC2(CC1)NC(=O)N(CC(=O)N1CCC(c3nc4ccccc4o3)CC1)C2=O 89922923 YXAOXGIFHFISPO-UHFFFAOYSA-N 424.501 3.035 0 40 HGAB Cc1ccn2c(CN3CCN([C@@H]4CCN(Cc5ccccc5)C4)CC3)c(C)nc2c1 95457013 RLBCKEDDZGXSGE-HSZRJFAPSA-N 403.574 3.343 0 40 HGAB CCN(CC)C(=O)[C@H]1Cn2ccnc2C2(CCN(Cc3ccc(C)s3)CC2)O1 96036870 KGTKTHULXQLWIN-GOSISDBHSA-N 402.564 3.012 0 40 HGAB CCN1CC[C@@]2(C(=O)Nc3cccnc3)CCN(C(=O)c3ccc(OC)cc3)CC[C@@H]12 96145313 ITFGLRSPOBQIQM-ZJSXRUAMSA-N 422.529 3.046 0 40 HGAB CCOc1ccccc1C(=O)N1CCN(c2cc(-c3ccc(OC)cc3)n[nH]2)CC1 98212519 SVTTXCFWXIIGJZ-UHFFFAOYSA-N 406.486 3.446 0 40 HGAB COC(=O)c1ccc(C(=O)N2[C@@H]3CC[C@@H]2CC(S(=O)(=O)c2ccccc2)C3)cc1 101323087 CILXXCFVXYIHLN-QZTJIDSGSA-N 413.495 3.083 0 40 HGAB Cc1c(NC(=O)[C@H](C)OC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)c(=O)n(-c2ccccc2)n1C 102182339 DSGCANXLKAXDAP-XSLAGTTESA-N 411.502 3.181 0 40 HGAB C[C@H](C(=O)N1CCc2ccccc21)N(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 220200206 XRGRLWNZBSRPRV-CYBMUJFWSA-N 412.433 3.449 0 40 HGAB Cc1ccc(OCCNC(=O)CCCN(c2ccccc2C)S(C)(=O)=O)cc1 222559605 PIUKIHGQAFZUQF-UHFFFAOYSA-N 404.532 3.045 0 40 HGAB CCN1C(=O)C(C)(C)c2cc(NS(=O)(=O)CCOc3ccccc3)cc(C)c21 223446153 RYAHLKOFYWMXFB-UHFFFAOYSA-N 402.516 3.460 0 40 HGAB COc1cccc(-c2noc(CN(C)S(=O)(=O)Cc3ccc(Cl)cc3)n2)c1 223645124 FHHFOKRHPDZEDH-UHFFFAOYSA-N 407.879 3.360 0 40 HGAB O=C(NCc1nccc(N2CCOCC2)n1)Nc1ccc(Cl)c(C(F)(F)F)c1 224173066 SVCPWFJFYSWRRG-UHFFFAOYSA-N 415.803 3.307 0 40 HGAB COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccn(C)c2)cc1 225229199 WWJMLVXVAHPILW-LEWJYISDSA-N 421.526 3.182 0 40 HGAB CCOC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)sc(=O)n2CC 225687321 GORHNVOKPKOGJL-UHFFFAOYSA-N 406.485 3.060 0 40 HGAB COCCNC(=S)Nc1nc(N2CCCCCC2)cc(N2C[C@@H](C)C[C@@H](C)C2)n1 225898707 AFDJPBFFMZICCK-CALCHBBNSA-N 420.627 3.272 0 40 HGAB COc1ccc(S(=O)(=O)N(C)CC(=O)N(C)c2ccc(C)c(C)c2)cc1Cl 226047656 QPCDJVZHHVXIPN-UHFFFAOYSA-N 410.923 3.249 0 40 HGAB CCOC(=O)[C@@H]1C[C@@H]2C(=O)CCCC[C@@H]2N1S(=O)(=O)c1ccc(C(C)(C)C)cc1 254286927 ZDYXEHUEQNFAIA-FHWLQOOXSA-N 421.559 3.438 0 40 HGAB O=C(c1ccc(-n2cccn2)nc1)N1CCC[C@]2(C[C@@H](Oc3ccc(F)cc3)CO2)C1 257239138 HOCQKBIEJSJGPT-OFNKIYASSA-N 422.460 3.249 0 40 HGAB CCc1nccn1CC(=O)N1CCC[C@H](c2ncc(Cc3ccccc3OC)o2)C1 257263067 LOFVNWVKOWHMGU-SFHVURJKSA-N 408.502 3.439 0 40 HGAB Cc1ccc(=O)n(CC(=O)N2CCC[C@@H]2c2ncc(Cc3ccc(Cl)cc3)o2)n1 257277462 NYBWKOWXPLNOLT-GOSISDBHSA-N 412.877 3.148 0 40 HGAB CCOC(=O)c1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)N2CCCC2)c1 408557113 MFLNIWIRYOFHGD-UHFFFAOYSA-N 416.499 3.209 0 40 HGAB COc1ccc(Cl)cc1NC(=O)COC(=O)[C@H]1CC(=O)N(c2cccc(C)c2)C1 408650615 BXKJVAFCOCTINK-AWEZNQCLSA-N 416.861 3.192 0 40 HGAB COC(=O)c1ccccc1NC(=O)COC(=O)c1ccc(-c2ccc(C=O)o2)cc1 409181455 ASQVMFBCEYSWJR-UHFFFAOYSA-N 407.378 3.341 0 40 HGAB Cc1cccc(C)c1OCc1nnc(SCC(=O)NCCc2ccccc2)n1C 409341247 AJTKAMYGDVJBJG-UHFFFAOYSA-N 410.543 3.462 0 40 HGAB CN1c2ccccc2N(C2CCN(C(=O)Nc3c(F)cccc3F)CC2)S1(=O)=O 575614698 BLMOUDADJILLHK-UHFFFAOYSA-N 422.457 3.162 0 40 HGAB Cc1oc(C(C)(C)C)cc1C(=O)N1CCC[C@]2(CCN2CC(=O)N2CCCC2)C1 585101973 NRWIASJYTIBYNG-QHCPKHFHSA-N 401.551 3.188 0 40 HGAB O=C1NCCOCCOc2ccc(-c3cccc(Cl)c3)cc2CN2CCC[C@@H]12 643571022 RPXKQGSWQVODGS-FQEVSTJZSA-N 400.906 3.497 0 40 HGAB CCc1nc2ccc(C(=O)N3CCS(=O)(=O)C4(CCCCC4)C3)cc2nc1CC 674690475 YYWPSPMNJJPUPL-UHFFFAOYSA-N 415.559 3.328 0 40 HGAB Cc1ccc(OCC2CCN(C(=O)Cc3ccc(Br)cc3)CC2)nn1 1775985861 DAKXMGKMKSZSRY-UHFFFAOYSA-N 404.308 3.408 0 40 HGAB O=C(NC[C@@H]1CCCO1)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1 780547 WJORMUYJKBWZLY-REWPJTCUSA-N 410.539 3.412 0 40 HGAB COc1cc2nc(C3CCC3)n(NC(=O)c3c(F)cccc3F)c(=O)c2cc1OC 1365197 DZZJBXUVNGTIFW-UHFFFAOYSA-N 415.396 3.343 0 40 HGAB COC(=O)[C@@](NNc1cccc(Cl)c1)(NC(=O)c1ccccc1F)C(F)(F)F 2050388 HDANODSLFYPPKQ-INIZCTEOSA-N 419.762 3.257 0 40 HGAB CCCCCn1nc(C(=O)OCc2cc(=O)n3ccsc3n2)c2ccccc2c1=O 3523208 WFRYMNIMWZDSNW-UHFFFAOYSA-N 424.482 3.013 0 40 HGAB O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)Nc1c(Cl)cccc1Cl 3594949 GTGKYTGMHKYTJH-LJQANCHMSA-N 404.253 3.325 0 40 HGAB COc1ccccc1[C@@H]1CN2C(=O)CN(C3CC3)C(=O)[C@]2(C)c2[nH]c3ccccc3c21 4082858 VVTHISBCHDXPHR-BVZFJXPGSA-N 415.493 3.370 0 40 HGAB biogenic COc1cc2c(cc1OC)CN(C(=O)/C=C/c1cc(OC)c(OC)c(OC)c1)CC2 4085520 HQTGHYULAIDMAV-VOTSOKGWSA-N 413.470 3.328 0 40 HGAB biogenic COC[C@@H](C)NC(=O)c1cnn2c1N[C@@H](c1cccc(OC)c1)C[C@@H]2C(F)(F)F 4223198 BDYRVECIQXJCEC-HFBAOOFYSA-N 412.412 3.317 0 40 HGAB Cc1cc(C)cc(NC(=O)c2ccc(S(=O)(=O)N(C)C[C@H]3CCCO3)cc2)c1 4348217 BDDHDLPJHVWQAF-LJQANCHMSA-N 402.516 3.355 0 40 HGAB CCOC(=O)N1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(OC)c(O)c2)N3)C1 4554831 IZPNXVLARCPZKL-MRXNPFEDSA-N 403.460 3.406 0 40 HGAB COc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCCN3C(=O)C2CC2)c(OC)c1 5099579 IYCOGRBRAOQZIG-UHFFFAOYSA-N 416.499 3.194 0 40 HGAB Cc1cc(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)c(C)n1Cc1cccs1 5215973 FDYXJTQBOIWYDH-UHFFFAOYSA-N 414.508 3.242 0 40 HGAB COc1cc(OC)cc(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2C)c1 6866453 HVZCEZHEVFAUSL-UHFFFAOYSA-N 418.515 3.439 0 40 HGAB C[C@H](Sc1ccc(S(=O)(=O)N(C)C2CCCCC2)cn1)C(=O)NC(C)(C)C 7190211 JYRNPPDQEHGWNM-AWEZNQCLSA-N 413.609 3.430 0 40 HGAB CN1C(=O)Cc2cc(C(=O)CSc3nnc(-c4ccncc4)n3C3CC3)ccc21 7841113 SMRJJWFGVVTCJS-UHFFFAOYSA-N 405.483 3.169 0 40 HGAB CN(C)S(=O)(=O)c1cccc(NC(=O)CNc2ccc(Cl)c(Cl)c2)c1 7971787 WZFSPRXNLMTUQE-UHFFFAOYSA-N 402.303 3.294 0 40 HGAB Cc1cccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3C)C2)c1 8039422 OPAKVDKOCFAQDW-HNNXBMFYSA-N 400.862 3.492 0 40 HGAB O=C(CNC(=O)COc1ccccc1)NCc1ccc(-c2nc3ccccc3s2)o1 8735066 UXPYFMZKWIIQAC-UHFFFAOYSA-N 421.478 3.368 0 40 HGAB C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)Nc3ccccc3Cl)c2)C[C@@H](C)O1 8855982 ATNDMNBSNRJTBR-ZIAGYGMSSA-N 408.907 3.390 0 40 HGAB O=C(OCC(=O)N(Cc1ccccc1)CC(F)(F)F)c1cc2ccccc2c(=O)[nH]1 9336757 NSMBTWJPTDXRRG-UHFFFAOYSA-N 418.371 3.276 0 40 HGAB CCS(=O)(=O)c1ccc(CC(=O)Nc2nnc(-c3ccccc3Cl)o2)cc1 10253183 ZJXVAKHQAULFCR-UHFFFAOYSA-N 405.863 3.365 0 40 HGAB COc1ccc(N([C@H](C)C(=O)N2c3ccccc3C[C@H]2C)S(C)(=O)=O)cc1Cl 10449922 DYEFDCBAYYMXKD-ZIAGYGMSSA-N 422.934 3.481 0 40 HGAB NS(=O)(=O)Cc1ccc(CNC(=O)C2c3ccccc3Oc3ccccc32)cc1 10706545 JTQZRFNFWGZVSS-UHFFFAOYSA-N 408.479 3.029 0 40 HGAB O=C(CNc1cccc(Br)c1)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1 11113629 WJRBNNBWFZAEHZ-KRWDZBQOSA-N 423.332 3.081 0 40 HGAB CC(C)(C)C1=NN(CC(=O)NCc2ccncc2)C(=O)c2cc3ccccc3n2C1 12117954 KFGNFBPBIJWWCM-UHFFFAOYSA-N 403.486 3.211 0 40 HGAB Cc1nc(-n2nc(C3CC3)cc2NC(=O)c2ccc(Br)o2)[nH]c(=O)c1C 12127275 SOVCYVCEUDONCB-UHFFFAOYSA-N 418.251 3.058 0 40 HGAB Cc1n[nH]c(C)c1CCC(=O)N1CCC[C@H](n2nc(-c3cccs3)ccc2=O)C1 12158277 BJOLJKZHNKRYLP-INIZCTEOSA-N 411.531 3.108 0 40 HGAB COc1ccc(CCC(=O)N2CCC(C(=O)Nc3ccccc3O)CC2)cc1OC 12812841 HCHPQIQMSTWIKT-UHFFFAOYSA-N 412.486 3.219 0 40 HGAB CNS(=O)(=O)Cc1ccc(CNC(=O)N(C)Cc2ccc3ccccc3c2)cc1 12881387 WSXPSSDISQKBKP-UHFFFAOYSA-N 411.527 3.231 0 40 HGAB Cc1cc(-c2cc(C(=O)N3CCN(c4ncccn4)CC3)c3c(C)noc3n2)c(C)o1 12938136 DWLVLEWIOMJHMI-UHFFFAOYSA-N 418.457 3.160 0 40 HGAB Cc1cccn2cc(CN3CCN(S(=O)(=O)c4ccc(C(C)C)cc4)CC3)nc12 13059685 CAECNDXPYJAYRT-UHFFFAOYSA-N 412.559 3.273 0 40 HGAB COc1ccc(-c2nc(C)c(C(=O)N3CCN(c4ccccn4)CC3)s2)cc1OC 13689185 QBIPPJLDKDTUQP-UHFFFAOYSA-N 424.526 3.493 0 40 HGAB COc1ccc(NC(=O)c2ccc(NC(=O)CCNC(=O)c3ccco3)cc2)cc1 14830108 VCRUOVXQSRSMTF-UHFFFAOYSA-N 407.426 3.299 0 40 HGAB COc1cc(CC(=O)O[C@H](C)C(=O)Nc2c(C)cccc2C)cc(OC)c1OC 15705181 NQQNQQGDNYKKQL-OAHLLOKOSA-N 401.459 3.442 0 40 HGAB CCCS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc21 15781371 FYHSMPOWCKDANG-UHFFFAOYSA-N 412.508 3.119 0 40 HGAB Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)NCc3ccc(F)cc3)CC2)c(C)c1 15961050 RDACARBGIAQGLW-UHFFFAOYSA-N 418.534 3.468 0 40 HGAB O=S(=O)(NCc1ccc2c(c1)OCCO2)c1ccc(Br)cc1Cl 16085936 PONRFTDXJMELIW-UHFFFAOYSA-N 418.696 3.352 0 40 HGAB COc1ccc(C2(CNS(=O)(=O)c3cc(C)ccc3OC)CCOCC2)cc1 16972291 WIKYHILZIXQAAE-UHFFFAOYSA-N 405.516 3.039 0 40 HGAB Cc1ccc(Cn2nnc3c(=O)[nH]c([C@H]4CCCN(C(=O)CC(C)(C)C)C4)nc32)cc1 18210571 YBUDBJXARSMSDA-KRWDZBQOSA-N 422.533 3.014 0 40 HGAB CC(C)(C)C(=O)N1CCC[C@@H](c2nc3c(c(=O)[nH]2)CN(Cc2cccs2)CC3)C1 19081282 SADJVYKGDFLATH-OAHLLOKOSA-N 414.575 3.142 0 40 HGAB CC(C)(C)c1ccc(C(=O)Nc2ccc(OCC(=O)N3CCCCC3)cc2)c(=O)[nH]1 19084408 KMPZCIBSQAVLCI-UHFFFAOYSA-N 411.502 3.316 0 40 HGAB COc1ccc([C@@H]2CN(Cc3ccccc3OC)C[C@H]2c2cc(=O)[nH]c(C)n2)cc1 19285515 CFOIMFFLEVENDJ-LEWJYISDSA-N 405.498 3.479 0 40 HGAB COc1cc(CN2CCC[C@H](c3nc(-c4ccncc4)cc(=O)[nH]3)C2)cc(OC)c1 19595111 XFQCUJHSLBTZAX-SFHVURJKSA-N 406.486 3.229 0 40 HGAB CCn1cc(-c2cc(C(=O)N3CCc4[nH]cnc4[C@@H]3c3ccc(OC)cc3)no2)cn1 19665182 HAKBGPCPVJUKFD-NRFANRHFSA-N 418.457 3.078 0 40 HGAB COc1cccc(-c2cnc(N(C)C)nc2[C@H]2CCCN2C(=O)c2cn(C)nc2C)c1 19689506 OHIVHNFEHPJFMI-HXUWFJFHSA-N 420.517 3.237 0 40 HGAB O=C(c1n[nH]c2c1CCCCCC2)N1CCO[C@H](c2ccc(-c3cncnc3)cn2)C1 19693589 JBHSLCLOAJDOCK-NRFANRHFSA-N 418.501 3.134 0 40 HGAB CC(=O)N(C)Cc1cc(N(C)C)nc([C@@H]2CCCCN2C(=O)Cc2ccc(C)cc2)n1 19709914 ZKSFFKUUDBZZOQ-NRFANRHFSA-N 423.561 3.126 0 40 HGAB CCCCCn1c(=O)[nH]c(=O)c2c3c(cnc21)C(=O)C[C@H](c1ccc(OC)cc1)C3 19821185 CLUQKZMGHCREEO-OAHLLOKOSA-N 407.470 3.196 0 40 HGAB CC[C@@H](Oc1cccc(C)c1C)C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21 19933606 DLEDTTPDIWSPGU-HXUWFJFHSA-N 416.543 3.300 0 40 HGAB CC(C)[C@@H](c1nnnn1CCc1ccccc1)N1CCN(Cc2ccccc2)CC1 20142163 GOFBMJYJJVVUBS-QHCPKHFHSA-N 404.562 3.431 0 40 HGAB CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1cc(S(=O)(=O)NC(C)C)ccc1OC 20481410 OMQHVOXZHPONNA-SFHVURJKSA-N 424.494 3.317 0 40 HGAB CCN1CCC[C@H]1CN/C=C1/C(=O)N(c2cccc(OC)c2)C(=O)c2ccccc21 20503694 WIQCTYVOLAHKEM-RMDTYCCRSA-N 405.498 3.297 0 40 HGAB COC(=O)c1ccccc1NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc(OC)cc1 20761084 VSQDMFDPOYFLNZ-FQEVSTJZSA-N 406.442 3.385 0 40 HGAB biogenic O=C(CNC1=NS(=O)(=O)c2ccccc21)OCc1sc2ccccc2c1Cl 21977232 NNQFVNJKUXNDSA-UHFFFAOYSA-N 420.899 3.337 0 40 HGAB O=C(CN1CCN(C/C=C/c2ccccc2)CC1)Nc1ccc2c(c1)OC(F)(F)O2 22038129 WSMVCYVCUXALEC-QPJJXVBHSA-N 415.440 3.278 0 40 HGAB CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C)CC)cc1C 22247301 KALBZPCNEYABHX-PXNSSMCTSA-N 418.559 3.198 0 40 HGAB COc1ccccc1CCCNC(=O)CN(c1ccc(Cl)cc1C)S(C)(=O)=O 22336549 XGMHEUAEQUWNDU-UHFFFAOYSA-N 424.950 3.172 0 40 HGAB CC[C@@H](NC(=O)CN(c1ccccc1OC)S(C)(=O)=O)c1ccc(C)c(C)c1 22362753 VWXCJXZZEXDRFK-GOSISDBHSA-N 404.532 3.346 0 40 HGAB COc1ccc(CN(C)C(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)cc1F 24581929 GGURIPNQZNYDFW-UHFFFAOYSA-N 422.412 3.496 0 40 HGAB C[C@@H](NC(=O)CN(Cc1ccccc1)c1ccccc1)c1ccc(S(N)(=O)=O)cc1 24988522 MXSDVVUFGSDPLJ-GOSISDBHSA-N 423.538 3.218 0 40 HGAB O=C(Cn1cnc2scc(-c3cccs3)c2c1=O)NCc1nc2ccccc2[nH]1 25059959 CWMPLFSLCITSQV-UHFFFAOYSA-N 421.507 3.379 0 40 HGAB COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)CCc1c[nH]c2ccccc12 25186343 ZDFWIFINCNYIEB-UHFFFAOYSA-N 407.470 3.362 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCSC3CCCC3)CC2)cc1 25246668 MCOKRICRYBJEQO-UHFFFAOYSA-N 410.605 3.188 0 40 HGAB CCOC(=O)c1c(N[C@@H](NC(C)=O)C(=O)c2ccccc2)sc(C(C)=O)c1C 27015756 WDNBJHBZYXMWAH-GOSISDBHSA-N 402.472 3.193 0 40 HGAB COc1ccc(Cl)cc1NC(=O)[C@H]1CC(=O)N(c2ccc(OC)c(OC)c2)C1 28193091 ZUFTWDHSLBUJBR-LBPRGKRZSA-N 404.850 3.357 0 40 HGAB COc1cc(CCNC(=O)[C@@H]2CCCN(C(=O)c3ccco3)C2)ccc1OC(F)F 28690348 NMZJRQTUNAVTNF-OAHLLOKOSA-N 422.428 3.101 0 40 HGAB Cc1cc(NC(=O)c2ccc(SC(F)F)cc2)n([C@H]2CCS(=O)(=O)C2)n1 32752852 INHXBSAQOIFBGM-LBPRGKRZSA-N 401.460 3.118 0 40 HGAB COCCN(Cc1cc2cc(C)ccc2n2nnnc12)C(=S)Nc1ccccc1 35289213 QXBQCGZZFNSYSK-UHFFFAOYSA-N 406.515 3.431 0 40 HGAB CCOC(=O)c1c(C)[nH]c(C)c1C(=O)CN1CCc2cc(OC)c(OC)cc2C1 35392524 FIEGWTULUXRDIA-UHFFFAOYSA-N 400.475 3.066 0 40 HGAB biogenic COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)N[C@@H]1c1cc(OC)c2c(c1)OCO2 36393195 RXADCRPIXNWNEU-LJQANCHMSA-N 410.426 3.137 0 40 HGAB Cc1ccc(CS(=O)(=O)c2nsc(NC(=O)Cc3ccc(F)cc3)n2)cc1 36626359 FBSALQJRFRLPKF-UHFFFAOYSA-N 405.476 3.141 0 40 HGAB CC(=O)Nc1nc(COC(=O)CNC(=O)c2sc3ccccc3c2Cl)cs1 39542614 GNPKEVTVRIJMGC-UHFFFAOYSA-N 423.903 3.443 0 40 HGAB Cc1ccc(Cl)cc1-n1ncc2c(N3CCN(C(=O)c4ccoc4)CC3)ncnc21 40227535 UEROSJXAMUDYEA-UHFFFAOYSA-N 422.876 3.333 0 40 HGAB COc1ccc(OC)c([C@H]2c3[nH]cnc3CCN2C(=O)Nc2ccc(C(=O)O)cc2)c1 40310115 UCDLBQQWYIIOBV-FQEVSTJZSA-N 422.441 3.305 0 40 HGAB biogenic CCc1nc2ccccc2c(=O)n1CC(=O)Nc1cc(Cl)c(OC)cc1OC 40478685 VSQCEUKXWCSERA-UHFFFAOYSA-N 401.850 3.268 0 40 HGAB Cc1ccc(NC(=O)Cn2nc(N3CCSCC3)c3ccccc3c2=O)cc1F 49007242 CXYNUOZIYSCBHW-UHFFFAOYSA-N 412.490 3.036 0 40 HGAB Cc1ccc(NC(=O)Cn2c(=O)n(Cc3ccc(F)cc3)c(=O)c3ccccc32)cc1 51357791 SUBZSXBNTWZDNT-UHFFFAOYSA-N 417.440 3.298 0 40 HGAB COC(=O)CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(Cl)cc1F 58174110 CHRLVEUGEDAEAZ-UHFFFAOYSA-N 406.262 3.496 0 40 HGAB C[C@H]1CN(C(=O)c2ccc(CNC(=O)NCCc3cccs3)cc2)C[C@@H](C)O1 69950625 XZTLFXHTLCJLLC-IYBDPMFKSA-N 401.532 3.039 0 40 HGAB COc1cccc(S(=O)(=O)N2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)c1 70635510 AMGJRNLUNURQKO-QGZVFWFLSA-N 401.406 3.476 0 40 HGAB CC[C@@H](C(=O)N1CCC(NC(=O)c2cccc(C(=O)OC)c2)CC1)c1ccccc1 72056912 DCGDKMKLVLHQFN-OAQYLSRUSA-N 408.498 3.388 0 40 HGAB Cc1cccc(-c2ccc(C(=O)N3CCCN(c4nc(C)cs4)CC3)c(=O)[nH]2)c1 72273065 VFJZPMDDNLOXJL-UHFFFAOYSA-N 408.527 3.468 0 40 HGAB Cc1occc1C(=O)OCC(COC(=O)c1ccoc1C)NC(=O)OC(C)(C)C 78989149 YGMYPUVMGVWMCG-UHFFFAOYSA-N 407.419 3.397 0 40 HGAB CC(=O)Nc1ccc(C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)cc1 89980225 PODZXWBMSGPHRN-UHFFFAOYSA-N 401.488 3.072 0 40 HGAB CCCN(C)c1ccc(C(=O)N2CCC(OCCN3C[C@H](C)O[C@H](C)C3)CC2)cc1 95459671 GXAGBJXVYCQLHZ-BGYRXZFFSA-N 417.594 3.263 0 40 HGAB COCCn1cc(CC(=O)Nc2cccc(-c3n[nH]c(COC)n3)c2)c2ccccc21 95480785 GFYDYEVPEDGEHE-UHFFFAOYSA-N 419.485 3.400 0 40 HGAB Cc1cccc(CN2CCC3(CC2)COc2ccccc2S(=O)(=O)N(C)C3)c1 96145096 FTQFUCUWMRDIHC-UHFFFAOYSA-N 400.544 3.290 0 40 HGAB COc1ccccc1N1CCN(C[C@@H](O)CO[C@@H]2C(C)(C)[C@H]3CC[C@@]2(C)C3)CC1 100831852 LBAQYJOJTNEFOU-WGWURMLHSA-N 402.579 3.410 0 40 HGAB CCCCN(C)S(=O)(=O)c1ccc(C(=O)/N=c2/sc3ccccc3n2C)cc1 100860556 NJUOHOXDDYAYBO-QZQOTICOSA-N 417.556 3.402 0 40 HGAB CCOC(=S)SCC(=O)N1CCc2ccccc2[C@H]1C1C(=O)CCCC1=O 101027944 DQVISPBCOWEEQA-IBGZPJMESA-N 405.541 3.105 0 40 HGAB C[C@@H]1C=CC[C@H]2C(=O)N(c3cccc(C(=O)OCC(=O)c4ccccc4)c3)C(=O)[C@H]12 101229840 RDPWKFNJRACZBB-QFIXIFRTSA-N 403.434 3.428 0 40 HGAB COc1ccc([C@@H](C)NC(=O)CN(c2cccc(Cl)c2C)S(C)(=O)=O)cc1 216235087 PSTRAVSJIJHEPL-CQSZACIVSA-N 410.923 3.300 0 40 HGAB CCOC(=O)c1cccc(NC(=O)CCCN(c2ccccc2)S(C)(=O)=O)c1 219168741 LULQNTYPCXVBTN-UHFFFAOYSA-N 404.488 3.048 0 40 HGAB CCc1ccc(N(CCCC(=O)N2CCc3ccccc3C2)S(C)(=O)=O)cc1 222640357 KUNIELWTTRQJOJ-UHFFFAOYSA-N 400.544 3.380 0 40 HGAB Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)NCCCc2ccccc2)s1 222682467 SWNHCGUKMGQRAR-UHFFFAOYSA-N 416.528 3.010 0 40 HGAB CC[C@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CCc1ccc2c(c1)OCCO2 223008855 AIFBFIQRDNCBBA-HXUWFJFHSA-N 410.514 3.252 0 40 HGAB Cc1cccc(CS(=O)(=O)N2CCC(C(=O)NCCSC3CCCC3)CC2)c1 223896611 KQEKMBXQIADCSV-UHFFFAOYSA-N 424.632 3.329 0 40 HGAB CC[C@H](C(=O)NCCOc1ccc(Cl)cc1)N(c1ccccc1)S(C)(=O)=O 224297158 WMSOIPNVUACGBN-GOSISDBHSA-N 410.923 3.080 0 40 HGAB CC[C@@H](C(=O)NCCc1ccc(Cl)cc1)N(c1ccc(F)cc1)S(C)(=O)=O 224308680 QTXMUAVDNYLUDO-SFHVURJKSA-N 412.914 3.383 0 40 HGAB CCN(CC(=O)Nc1ccc2sncc2c1)S(=O)(=O)c1cc(C)ccc1OC 226055474 ORSWNGPHRBLBTL-UHFFFAOYSA-N 419.528 3.263 0 40 HGAB CC(=O)N1[C@@H]2CN(C(=O)CN(C)Cc3ccccc3F)[C@@H]3CCCC[C@H]1[C@]3(C)C2 257216803 CWDDXLZAJQPTLW-DEXHYYOUSA-N 401.526 3.038 0 40 HGAB c1ccc(N2CCCCC2)c(CN2CCOC[C@@H](Cc3ccc4nccn4n3)C2)c1 257298874 RNPOFLFCOLWVJO-FQEVSTJZSA-N 405.546 3.411 0 40 HGAB NC(=O)c1cccc(-c2cccc([C@H]3CN(C(=O)CCc4ccccc4)CCO3)n2)c1 257327475 XBMFNESXKZJLTA-HSZRJFAPSA-N 415.493 3.380 0 40 HGAB COc1ccc(N([C@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)CCC3)S(C)(=O)=O)cc1 260924572 IPDPUGSZZHABCA-JKSUJKDBSA-N 416.543 3.216 0 40 HGAB CC(C)CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2)cc1 408586453 AGEMMNNWJSESMA-IRXDYDNUSA-N 404.532 3.266 0 40 HGAB CS(=O)(=O)N(CC(=O)N1CCC(Cc2ccccc2)CC1)Cc1ccc(F)cc1 408620728 LCLDOASZHRFYTJ-UHFFFAOYSA-N 418.534 3.069 0 40 HGAB CCCCCN1CCC2(CCCCOCCCNC(=O)[C@H](CC(C)C)NC2=O)CC1 643581688 RCKHLNRRNRIOBB-NRFANRHFSA-N 423.642 3.497 0 40 HGAB CC[C@@H]1CN(C(=O)Nc2c(C)noc2C)[C@H](CO)[C@@H]1CN(C)CCc1ccccc1 1772595117 ZIKPDBSODVNCAE-NJDAHSKKSA-N 414.550 3.317 0 40 HGAB O=C(N1CCC(COc2cc3c(nn2)CCC3)CC1)C1(c2ccccc2)CCOCC1 1775967584 XFXJXGCAFXTMRM-UHFFFAOYSA-N 421.541 3.331 0 40 HGAB FC(F)(F)c1nnc(CN2C[C@H]3CN(c4ccc(-c5ccccc5)nn4)C[C@H]3C2)o1 1888897927 XCNDQLXTYXKIIM-GASCZTMLSA-N 416.407 3.114 0 40 HGAB Cc1cnc(C(=O)Nc2ccc(C)c(S(=O)(=O)Nc3ccc(F)cc3)c2)cn1 33029160 NAKKHZNYEDAAJX-UHFFFAOYSA-N 400.435 3.286 0 40 HGAB COC(=O)[C@@H](C)CN(Cc1ccccc1)c1cc(C)nc2nc(C(F)(F)F)nn12 79109141 XVIWKXONKGYCCE-LBPRGKRZSA-N 407.396 3.267 0 40 HGAB COC[C@H](C)NC(=O)CSc1nc(-c2ccc(OC)cc2)cc(C(F)(F)F)n1 3645090 ZSLRAGUDIVTWHN-NSHDSACASA-N 415.437 3.414 0 40 HGAB CCC(C)(C)NC(=O)CN(Cc1cccs1)C(=O)CCC(=O)Nc1nccs1 4848371 KLDWSOPUANKMGX-UHFFFAOYSA-N 422.576 3.257 0 40 HGAB CC(C)COC(=O)[C@H]1[C@@H](c2cccc(F)c2)[C@@H](C(=O)OCC(C)C)C(=O)C[C@]1(C)O 4899391 MOBZJTQVGSXGLX-GJPOJAMWSA-N 422.493 3.264 0 40 HGAB Cc1ccc(NC(=O)Cc2nnc(SCC(=O)N[C@H]3CCCC[C@H]3C)n2C)cc1 6476946 DEGPXNCASUOOEI-WBVHZDCISA-N 415.563 3.092 0 40 HGAB Cc1ccc(S(=O)(=O)N(C)c2c(C)ccc(S(=O)(=O)NC(C)C)c2C)cc1 7636132 XJEHIZGLONYVQW-UHFFFAOYSA-N 410.561 3.124 0 40 HGAB CC(=O)N1CCN(C(=O)c2sc(-c3ccc(OC(F)(F)F)cc3)nc2C)CC1 12322690 RMYBIEHYYQZWHM-UHFFFAOYSA-N 413.421 3.321 0 40 HGAB CCOc1cc2c(cc1CNC(=O)c1cc3cccc(OC)c3oc1=O)O[C@@H](C)C2 24317576 MPRGBCIMQUDOHC-ZDUSSCGKSA-N 409.438 3.454 0 40 HGAB CN(C)S(=O)(=O)N(CC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccc(F)cc1 9694880 FZYRLNKPLFAUOA-UHFFFAOYSA-N 420.293 3.384 0 40 HGAB CCn1ccc(NC(=O)Cn2nc(C(F)(F)F)c(Br)c2C2CC2)n1 28227110 VYWYMNPAHJBCLS-UHFFFAOYSA-N 406.206 3.397 0 40 HGAB O=C(CSc1nnc(-c2ccc(F)cc2)o1)N1CCN(Cc2ccccc2)CC1 25286054 AWJSEOCWJOJFBK-UHFFFAOYSA-N 412.490 3.312 0 40 HGAB C[C@H]1CCc2c(sc(NC(=O)[C@@H]3[C@@H](C(=O)O)[C@H]4C=C[C@H]3C4)c2C(=O)NC2CC2)C1 102339948 NMGHWFRUXCRMIJ-BKDCYOLVSA-N 414.527 3.227 0 40 HGAB O=C(Nc1nc(CN2CCOCC2)cs1)c1ccc2c(c1)C(=O)c1ccccc1-2 26362319 RRJZYNNXDHKWBS-UHFFFAOYSA-N 405.479 3.439 0 40 HGAB CCOC(=O)c1ccc(NC(=O)C2(N3C(=O)c4ccccc4C3=O)CCCC2)cc1 1719065 BPAOFUMCCIFQRQ-UHFFFAOYSA-N 406.438 3.411 0 40 HGAB C[C@H]1CCCCN1CCCNC(=O)c1ccc(F)cc1I 48159035 MYGOHTAMGUDKMN-LBPRGKRZSA-N 404.267 3.425 0 40 HGAB COc1cccc(NC(=O)CN(C)C(=O)CSc2ccc(C(F)(F)F)cn2)c1 27763617 GZPBEYUUAVNNOB-UHFFFAOYSA-N 413.421 3.298 0 40 HGAB O=C(CCc1ccc(Cl)cc1)N1CCC(NS(=O)(=O)c2ccccc2)CC1 10376028 AWTAWHSRVUDPIB-UHFFFAOYSA-N 406.935 3.242 0 40 HGAB CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)N1C=C(O)Nc2ccccc21)[C@H](C)CC)C(=O)O 25076491 CSSJVRRJMBZJLL-QISBLDNZSA-N 418.494 3.015 0 40 HGAB O=C1C[C@@H](C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)CN1c1ccccc1F 48368020 YHHBBFNPXSLYED-SJLPKXTDSA-N 410.445 3.314 0 40 HGAB O=C(Nc1cccc(CN2CCOC2=O)c1)NC1CCN(Cc2ccccc2)CC1 48354677 SCQNGIQSJMADDV-UHFFFAOYSA-N 408.502 3.425 0 40 HGAB C[C@H](NC(=O)c1nn(-c2ccccc2)c2c1CCC2)c1ccc(S(C)(=O)=O)cc1 12815481 SRBHNXYTLZZIDK-HNNXBMFYSA-N 409.511 3.256 0 40 HGAB C[C@H](c1ccccc1)N1C[C@H](C(=O)N(C)Cc2cnn(Cc3ccccc3)c2)CC1=O 8709528 CIASXGPDBVAAEM-AUSIDOKSSA-N 416.525 3.500 0 40 HGAB O=C(COC(=O)c1ccccc1C(=O)c1ccc2c(c1)OCCO2)Nc1ccccc1 3509600 NDMSVSHDKSNDIR-UHFFFAOYSA-N 417.417 3.484 0 40 HGAB CC[C@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)C1=O 3595379 IOSWYTZZACAJLH-AMLORBGZSA-N 405.926 3.438 0 40 HGAB O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)Nc1cccc(Cl)c1Cl 3594924 WJZOJAFPWKKWOW-LJQANCHMSA-N 404.253 3.325 0 40 HGAB O=C(Nc1cc(F)cc(F)c1)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 12917466 CUDBXHRFUPCVPN-UHFFFAOYSA-N 420.481 3.493 0 40 HGAB O=C(COCc1nc2ccccc2c(=O)[nH]1)Nc1ccc(OCC(F)(F)F)cc1 12921517 ZUQKQNAZVPWELP-UHFFFAOYSA-N 407.348 3.020 0 40 HGAB CCOCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCc2ccccc2)cc1 4064437 FFKSXNRFRPCNJZ-NRFANRHFSA-N 410.470 3.473 0 40 HGAB COc1ccc(-c2coc3cc(OCC(=O)N4CCSCC4)ccc3c2=O)cc1 8992668 SPJHWBIXJBGWBF-UHFFFAOYSA-N 411.479 3.423 0 40 HGAB biogenic CCn1c(Cc2ccccc2)nnc1SCC(=O)c1ccc(S(C)(=O)=O)cc1 6610137 WSGVUSVFTFMLTK-UHFFFAOYSA-N 415.540 3.267 0 40 HGAB COc1ccc(C)cc1S(=O)(=O)N1CCC[C@H](C(=O)NCCC2=CCCCC2)C1 9225913 SLWMYYHFJRCGKB-IBGZPJMESA-N 420.575 3.411 0 40 HGAB O=C(Cn1cnc2sccc2c1=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 7086294 GFQIKVKBDKETPV-CYBMUJFWSA-N 410.524 3.474 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)N2Cc3ccccc3OC[C@@H]2C)c1 96007833 UJGMVXHIEJZEGQ-KRWDZBQOSA-N 416.543 3.449 0 40 HGAB O=C(N[C@H]1CCCc2ccccc21)[C@@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1 7547763 SFWIWSVYOZFWRW-XLIONFOSSA-N 423.538 3.041 0 40 HGAB O=C1COc2ccc(C(=O)COC(=O)c3ccc4[nH]c5c(c4c3)CCCC5)cc2N1 7779835 BWHDJZGJPGMHJH-UHFFFAOYSA-N 404.422 3.417 0 40 HGAB Cc1ccc(S(=O)(=O)N(CCC(=O)NC2CCC(O)CC2)c2ccccc2)cc1 8395056 IERCAUOAMKDTEZ-UHFFFAOYSA-N 416.543 3.000 0 40 HGAB CCCCCCn1c(=S)[nH]c(O)c([C@@H]2NCCc3cc(OC)c(OC)cc32)c1=O 17196096 VVDLPTYJHPVLOF-GOSISDBHSA-N 419.547 3.444 0 40 HGAB O=C1C[C@H](N2CCN(c3ccccc3)CC2)C(=O)N1c1ccc(SC(F)F)cc1 19882053 JNWOWSHTSCIBQW-SFHVURJKSA-N 417.481 3.455 0 40 HGAB COc1ccccc1N1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1 8663503 UQJVJNPKPXFLTN-UHFFFAOYSA-N 416.421 3.105 0 40 HGAB C[C@H](C1CC1)N(Cc1ccccc1)C(=O)CN1C(=O)C[C@H](c2ccccc2F)C1=O 84636314 FKIKTWJYDLGXKR-OXQOHEQNSA-N 408.473 3.496 0 40 HGAB CC(=O)N[C@H](CC(=O)N1CCO[C@H]2CCCC[C@@H]21)c1ccc(Br)cc1 84752799 CELPNZQYSKCRSK-SQNIBIBYSA-N 409.324 3.186 0 40 HGAB COC(=O)C[C@@H](c1oc(CSc2ccccc2)cc(=O)c1O)c1ccnn1C 95480865 VKDKKDHXWNRQOO-OAHLLOKOSA-N 400.456 3.066 0 40 HGAB COc1ccc2cc(C(=O)N3CCC[C@@H](c4n[nH]cc4NC(C)=O)C3)c(C)nc2c1 95998612 PVAYUPQKIWVPIG-MRXNPFEDSA-N 407.474 3.253 0 40 HGAB COC(=O)Cn1cc([C@@H](C)OC(=O)c2cc(C3CC3)nc3cc(C)cc(C)c23)nn1 95971991 SEADNUMEAJGJGD-CQSZACIVSA-N 408.458 3.412 0 40 HGAB COc1ccc(S(=O)(=O)N2C[C@@H](C)CSc3ccccc32)cc1C(=O)N(C)C 89941250 HXLUUBOPNUKIGF-CQSZACIVSA-N 420.556 3.334 0 40 HGAB C=Cc1nc2sc(C)cn2c(=O)c1CN(/C=C/C(=O)OC)CCc1ccccc1 35606354 PZHRYIPWXBLPBM-ACCUITESSA-N 409.511 3.439 0 40 HGAB Cn1nccc1[C@@H]1CN(Cc2ccccn2)C[C@]12CCCN(Cc1ccccc1)C2=O 306137812 RHFIACZMQGDQNT-WIOPSUGQSA-N 415.541 3.224 0 40 HGAB COc1ccccc1CN1CCN(C)[C@@H](c2cn3c(N4CCCC4)cccc3n2)C1 306126310 DSHPGEDSSQSENQ-OAQYLSRUSA-N 405.546 3.432 0 40 HGAB O=C(Nc1ccccc1)c1nnc2n1C[C@H]1CN(Cc3ccc(Cl)cc3)C[C@@H]1C2 306136571 PXHLWRKVAIHQRS-DLBZAZTESA-N 407.905 3.488 0 40 HGAB CC[C@H](NC(=O)c1ccc(N2CCCC2=O)cc1)c1ccc(S(C)(=O)=O)cc1 219205841 ZSWAYBMBGLNVIJ-IBGZPJMESA-N 400.500 3.098 0 40 HGAB O=C1NC(=S)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C\N1CCc2ccccc2C1 33445374 IHKIZMDGFPQHMI-PTNGSMBKSA-N 415.877 3.169 0 40 HGAB CCc1ccc(NC(=O)[C@@H](C)N2CCC(NS(=O)(=O)c3cccs3)CC2)cc1 32865318 JDKIYOUHDUCKDS-OAHLLOKOSA-N 421.588 3.080 0 40 HGAB O=S(=O)(NCCCN1CCO[C@@H](c2ccccc2)C1)c1ccc(F)c(Cl)c1 36700245 VNUWASZBUPZUBV-LJQANCHMSA-N 412.914 3.221 0 40 HGAB COCCN1C(=O)c2ccccc2[C@@H](C(=O)NC[C@@H](O)c2ccccc2)C12CCCC2 32087816 LQJIFALMZVEHTA-YADHBBJMSA-N 422.525 3.035 0 40 HGAB CCOc1ccccc1NC(=O)CN1CCN(c2ccc(C(F)(F)F)cn2)CC1 38566133 LUGAHFZUDOADFB-UHFFFAOYSA-N 408.424 3.260 0 40 HGAB CCOC(=O)c1c(NC(=O)COc2c(C)cccc2C)sc(C(=O)NC)c1C 32958263 AGFGVAWICLTRKN-UHFFFAOYSA-N 404.488 3.227 0 40 HGAB CN(C1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1cccnc1C(F)(F)F 561512024 LQZXWLPNHRITQW-UHFFFAOYSA-N 413.465 3.386 0 40 HGAB COc1ccc(-c2noc(CNC(=O)c3cc4cccc(OC)c4o3)n2)cc1OC 13689285 WQKWSBQWRDNRKQ-UHFFFAOYSA-N 409.398 3.439 0 40 HGAB biogenic CC[C@H](C(=O)NCCCc1ccc(OC)cc1)N(c1ccccc1F)S(C)(=O)=O 220601654 XLTYXIWIMBVOBM-LJQANCHMSA-N 422.522 3.128 0 40 HGAB Cc1ccc(C(=O)NC2CCN(C(=O)c3cn(-c4ccc(Cl)cc4)nn3)CC2)cc1 49406245 KDWRKHHMTXHARM-UHFFFAOYSA-N 423.904 3.264 0 40 HGAB CC[C@@H](C(=O)Nc1cccc(C(=O)OC)c1C)N(c1ccccc1F)S(C)(=O)=O 220595492 NFVGFWTZQLTHTC-KRWDZBQOSA-N 422.478 3.104 0 40 HGAB Cc1cc(NS(=O)(=O)c2nnc(NC(=O)C(C)C)s2)ccc1Br 225884615 LUJJBXMJNVNJTG-UHFFFAOYSA-N 419.326 3.004 0 40 HGAB CCOc1ccc(CCCNC(=O)[C@H](C)N(c2ccccc2F)S(C)(=O)=O)cc1 220318803 ALNJHPRSYMGVQG-INIZCTEOSA-N 422.522 3.128 0 40 HGAB O=Cc1ccccc1OC(=O)c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@H]3C2=O)c1 226405134 RFLWIOWPGUENSI-NVLJRBADSA-N 413.429 3.276 0 40 HGAB CCn1c(=O)sc2cc(S(=O)(=O)N[C@H](C)COc3ccc(C)c(C)c3)ccc21 225699279 WKXXLUNNCGYHIC-OAHLLOKOSA-N 420.556 3.446 0 40 HGAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1Cc1ccncc1 223606532 TULGAPZTIDOFBV-FCHUYYIVSA-N 421.570 3.298 0 40 HGAB Cc1cc(C)cc(N(CCCC(=O)NCCOc2ccccc2)S(C)(=O)=O)c1 224655577 QUOJKBHRVRANSU-UHFFFAOYSA-N 404.532 3.045 0 40 HGAB Cc1cccc(CNC(=O)CN(C)S(=O)(=O)c2cc(Cl)ccc2Cl)c1 226035831 ZXHNQRRXRTZINA-UHFFFAOYSA-N 401.315 3.239 0 40 HGAB CNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CSCc1ccccc1F 222821419 BVPGJZYTPWESHP-OAHLLOKOSA-N 404.507 3.231 0 40 HGAB O=C(NC[C@H]1Cn2c(-c3ccc(Cl)cc3)cnc2CO1)c1ccc2c(c1)OCO2 96296316 GFVLFUGSAHIDBC-INIZCTEOSA-N 411.845 3.261 0 40 HGAB biogenic,in-vitro CN1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)CN1CCCC1=O 257255897 KJIVDQFCKQLZJH-YLYPHGCXSA-N 409.574 3.084 0 40 HGAB COC(=O)c1ccc(NC(=O)CSc2nc(CNc3ccc(C)cc3)n[nH]2)cc1 5448241 AKSFKSVXBQKDBL-UHFFFAOYSA-N 411.487 3.243 0 40 HGAB CCOC(=O)c1ccc(NC(=O)CN(c2ccccc2CC)S(C)(=O)=O)c(C)c1 13669655 WZEOMWMKFXZMSC-UHFFFAOYSA-N 418.515 3.139 0 40 HGAB CC(=O)Nc1ccc(S(=O)(=O)Nc2cnn(Cc3ccc(Cl)cc3)c2)cc1 14222191 DFBARAOBVVEHET-UHFFFAOYSA-N 404.879 3.344 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)NCCSc1ccccc1 15136890 ZKLZPAQQDZFADA-UHFFFAOYSA-N 404.557 3.302 0 40 HGAB CCOc1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 15657421 YGDFMOQFHVSUBV-UHFFFAOYSA-N 424.906 3.012 0 40 HGAB COc1cc(C2=N/C(=C\c3ccc(Br)cc3)C(=O)N2)cc(OC)c1OC 16195236 ADFWAQVAHBWTEI-ZSOIEALJSA-N 417.259 3.392 0 40 HGAB Cc1cc(-c2cnc(C)nc2[C@@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)on1 19122557 APRFWKOBKADSIE-KRWDZBQOSA-N 402.451 3.413 0 40 HGAB Cc1ccc(-c2cc(-c3ccc(F)cc3)nn2CCNC(=O)c2ccnn2C)nc1 19216197 JSCDVRQGXDNZRO-UHFFFAOYSA-N 404.449 3.223 0 40 HGAB O=C(c1cc([C@H]2CCCN(Cc3ccccc3Cl)C2)no1)N1CCC(O)CC1 19349011 VINWMFBXDFEUCH-INIZCTEOSA-N 403.910 3.305 0 40 HGAB O=C(Cn1ccnc1)N1CC[C@@H]2[C@H](C1)[C@@H](c1ccsc1)CN2C(=O)c1ccccc1 19368928 PTXNSDQQURCLFR-NJDAHSKKSA-N 420.538 3.102 0 40 HGAB Cc1cc(NC(=O)Cn2c(CN3CCOCC3)nc3ccccc32)c2ncccc2c1 19656288 NNJUVQMYFRREMW-UHFFFAOYSA-N 415.497 3.364 0 40 HGAB COc1cccc(CCN2C(=O)CCc3c(C)nc(CN(C)C(=O)C4CCC4)nc32)c1 19703452 SAOLXJUXAUOFSM-UHFFFAOYSA-N 422.529 3.074 0 40 HGAB Cc1nc([C@H]2CCN(C(=O)CCc3c[nH]c4ccccc34)C2)nc2c1CCC(=O)N2C 19738959 LOUQZXRMLORCMN-KRWDZBQOSA-N 417.513 3.124 0 40 HGAB CCOc1ccc2[nH]c(=O)c(CNc3ccc(N4CCC(C(N)=O)CC4)cc3)cc2c1 12088319 RKXMBZCZFRLIKB-UHFFFAOYSA-N 420.513 3.241 0 40 HGAB COCc1ccc(OC)c(CN2CCC[C@H](c3nc(-c4ccncc4)cc(=O)[nH]3)C2)c1 19594345 VIXYKVPUZMUGON-IBGZPJMESA-N 420.513 3.367 0 40 HGAB COc1ccc(-c2ncnc(N3CCN(Cc4nc5ccccc5[nH]4)CC3)c2F)cc1 1889030501 WANPMGWIUKOYBQ-UHFFFAOYSA-N 418.476 3.490 0 40 HGAB COc1ccc(CN2CCN(Cc3nnc(-c4cc(C)oc4C)o3)CC2)cc1F 22786950 SZNPIMYSIBPQFB-UHFFFAOYSA-N 400.454 3.412 0 40 HGAB O=C(c1cccc(Oc2ccc(F)cc2)c1)N1CC(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)C1 238839233 HLPDUOWUCHUYHM-SFTDATJTSA-N 420.440 3.394 0 40 HGAB CCOC(=O)[C@H](C)Sc1nc2c(c(=O)n1-c1ccc(OCC)cc1)SCC2 755463 AQNATJNPEUUWLR-LBPRGKRZSA-N 406.529 3.323 0 40 HGAB O=C(O)c1cccc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)OCC(F)(F)C(F)F)c1 1446328 ZFLJYPCTGLQGNP-STQMWFEESA-N 403.328 3.349 0 40 HGAB COc1ccc(NC(C)=O)cc1NC(=O)c1cccn(Cc2ccccc2F)c1=O 5270517 BWHGCPWGIKFQCW-UHFFFAOYSA-N 409.417 3.255 0 40 HGAB CC(=O)Nc1cccc(NC(=O)CSc2ccc3nnc(-c4ccccc4)n3n2)c1 9414816 NWNAIIAGTXPJAF-UHFFFAOYSA-N 418.482 3.481 0 40 HGAB COc1ccc(-c2noc(CSc3nc4ccsc4c(=O)[nH]3)n2)c(OC)c1 16842922 LTXOKVLVILIIEY-UHFFFAOYSA-N 402.457 3.344 0 40 HGAB O=c1ccc(-c2ccncc2)nn1CC1CCN(CCc2ccc3c(c2)CCO3)CC1 585503834 ZLOBCNNMBCZEIB-UHFFFAOYSA-N 416.525 3.195 0 40 HGAB COC(=O)[C@@H](C)NC(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccc(F)cc1 25108503 KZVHCGZVCXANCQ-XCLFUZPHSA-N 416.449 3.062 0 40 HGAB COc1ccc2[nH]c3c(c2c1)CN(C(=O)CCC(=O)NCCc1ccccc1)CC3 20763485 WCSGBCISJPMJBW-UHFFFAOYSA-N 405.498 3.200 0 40 HGAB biogenic Cc1[nH]c2ccc(C(=O)OCC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)cc2c1C 32691666 SGLPIROQBNMLME-UHFFFAOYSA-N 414.483 3.075 0 40 HGAB Cc1cc(N(C)C)ccc1NC(=O)NCCCN1CCN(C(=O)OC(C)(C)C)CC1 78535151 IKPPJGNGKKOHRP-UHFFFAOYSA-N 419.570 3.125 0 40 HGAB CCN(C(=O)c1ccc(OCC(F)(F)F)nc1)[C@H]1CCN(c2ccccc2)C1=O 78803111 KWBMIKBAIHZEHV-INIZCTEOSA-N 407.392 3.290 0 40 HGAB CCOC(=O)C(=O)Nc1nc(-c2ccc3c(c2)C[C@@H](C)N3C(=O)C2CC2)c(C)s1 4893418 NNEQOQOCXACVCD-LLVKDONJSA-N 413.499 3.308 0 40 HGAB Cc1nc2cc(-c3ccc(F)cc3)nn2c(N2CCN(c3ncccn3)CC2)c1C 4966838 NEXBENDGPIRTLG-UHFFFAOYSA-N 403.465 3.269 0 40 HGAB Cc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(F)c(Cl)c3)CC2=O)cc1 6929809 WAMWXBWHTPXYNP-ZDUSSCGKSA-N 404.825 3.322 0 40 HGAB Cc1c(C(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)cnn1-c1ccccc1F 41894896 RDWASSGEORPIFW-UHFFFAOYSA-N 419.460 3.440 0 40 HGAB COc1ccc(OC)c([C@H]2N=C(Nc3ccccc3OC)Nc3nc(C)cc(=O)n32)c1 7499373 VZESAQOAZBIKBH-FQEVSTJZSA-N 421.457 3.018 0 40 HGAB COc1cccc(N2C[C@@H](C(=O)OCC(=O)Nc3cc(Cl)ccc3C)CC2=O)c1 7940149 HUYZLRKXLYGVTP-AWEZNQCLSA-N 416.861 3.192 0 40 HGAB CSc1ccc(-c2ccc(=O)n(CC(=O)c3ccc4c(c3)CCN4C(C)=O)n2)cc1 61720854 FUVINUNZHQTOAP-UHFFFAOYSA-N 419.506 3.424 0 40 HGAB CCOc1ccc2[nH]c(=O)c(CN(CCO)C(=S)Nc3ccc(F)cc3)cc2c1 9669192 RUTWIWQHZWGPPO-UHFFFAOYSA-N 415.490 3.257 0 40 HGAB COc1cc2cc(C(=O)N[C@@H](c3nnc4ccccn34)C(C)C)n(C)c2cc1OC 20727782 KHQFZXUJKCPSMG-HXUWFJFHSA-N 407.474 3.365 0 40 HGAB Cc1c(I)cnn1CCC(=O)N[C@@H](C)[C@H]1C[C@@H]2CC[C@@H]1C2 101996932 LDQPVAHCGFAWEQ-IGHBBLSQSA-N 401.292 3.127 0 40 HGAB COc1cccc(N2CCN(CC(=O)Nc3ccc(Br)cc3)CC2)c1 57315458 YAPIHLRADSIWEG-UHFFFAOYSA-N 404.308 3.218 0 40 HGAB CC[C@H](NC(=O)CN(c1cccc(OC)c1)S(C)(=O)=O)c1ccc(C)c(C)c1 22332425 JPEULXDAOKNSPC-FQEVSTJZSA-N 404.532 3.346 0 40 HGAB CN(C)S(=O)(=O)c1ccc(CNC(=O)Nc2ccccc2N2CCCCC2)cc1 57974158 UTONWMBSYJDZTA-UHFFFAOYSA-N 416.547 3.249 0 40 HGAB O=C(Nn1cnc2ccccc21)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 10136201 ONRHALGNGRCYNU-UHFFFAOYSA-N 410.430 3.360 0 40 HGAB Cc1ccc(-c2csc(=O)n2CC(=O)NCCn2c(C)nc3ccccc32)cc1 10125641 YLAWGUPQDKGIPL-UHFFFAOYSA-N 406.511 3.360 0 40 HGAB COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)c1ccc(C(N)=O)cn1)CC2 58423237 NKIKNYDOBATZAO-FQEVSTJZSA-N 423.494 3.047 0 40 HGAB COc1ccc(C(=O)C2CCN(C(=O)[C@H](NC(=O)c3ccco3)C(C)C)CC2)cc1 12740370 IGARNIMVTLRLQW-HXUWFJFHSA-N 412.486 3.164 0 40 HGAB COc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2c(F)cccc2F)c1 22229866 OZDNWGCZWZDVSI-MRXNPFEDSA-N 410.442 3.074 0 40 HGAB CC(C)n1ncc2cc(NC(=O)CCCN(C)S(=O)(=O)c3cccs3)cnc21 10763630 OCMMXWWJGFLECL-UHFFFAOYSA-N 421.548 3.113 0 40 HGAB C[C@H]1CCCN(C(=O)COC(=O)c2c(NC(=O)c3ccco3)sc3c2CCC3)C1 10937187 PLVKYTUALOVIBI-ZDUSSCGKSA-N 416.499 3.497 0 40 HGAB Cc1ccc(OCC(=O)N2CCN(Cc3nc(-c4ccc(C)cc4)no3)CC2)cc1 12757246 CDTUBFVAVOWUKE-UHFFFAOYSA-N 406.486 3.077 0 40 HGAB CCc1ccc(N2C[C@H](C)Cn3c2nc2c3c(=O)n(CCC(C)C)c(=O)n2C)cc1 8654151 ZNYXTGJCEUGMOQ-INIZCTEOSA-N 409.534 3.293 0 40 HGAB Cc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccc(F)cc4F)ncn3n2)cc1C 11666417 WXEUDGLVNMKEAJ-UHFFFAOYSA-N 409.396 3.092 0 40 HGAB CC1CCC2(CC1)NC(=O)N(CC(=O)Nc1nc(-c3ccc(F)cc3)cs1)C2=O 3455988 ITGTUCBQKSSZOH-UHFFFAOYSA-N 416.478 3.388 0 40 HGAB CN(C)S(=O)(=O)c1ccc(NC(=O)COc2cc(Cl)ccc2Cl)cc1 3469389 LKZHXHWJCFJLCI-UHFFFAOYSA-N 403.287 3.261 0 40 HGAB O=C1N[C@@]2(CCc3ccccc32)C(=O)N1Cc1cc(=O)oc2cc3c(cc12)CCC3 3516747 IJNMJIGYTRECEG-XMMPIXPASA-N 400.434 3.175 0 40 HGAB CC(=O)Nc1ccc(S(=O)(=O)N[C@H](c2ccc3c(c2)OCCCO3)C(C)C)cc1 12997335 FYKGNOJLXHUFNI-NRFANRHFSA-N 418.515 3.482 0 40 HGAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)Cc1cnn(-c2ccccc2)c1 13013446 JUJGLLBWLAHFGX-QGZVFWFLSA-N 403.486 3.068 0 40 HGAB COc1ccc(/N=c2\scc(-c3ccc(OC)cc3)n2N2CCN(C)CC2)cc1 26509267 LGLRRDWATKRZQO-FCQUAONHSA-N 410.543 3.350 0 40 HGAB O=C(OCc1ccc(COC(=O)c2ccc(CO)cc2)cc1)c1ccc(CO)cc1 6082276 SLBHYHAOIVTONI-UHFFFAOYSA-N 406.434 3.385 0 40 HGAB CN(C)CCNC(=O)[C@H]1CS[C@H](c2ccc(Cl)cc2)N1C(=O)OC(C)(C)C 6363856 BDCTYTCNIRVWSR-NVXWUHKLSA-N 413.971 3.369 0 40 HGAB Cc1nn(-c2ccccc2)c(C)c1CNC(=O)CCn1nc(-c2cccs2)oc1=O 14115398 WICVHZVAYQEQCJ-UHFFFAOYSA-N 423.498 3.074 0 40 HGAB O=C(CCNS(=O)(=O)c1ccc2c(c1)CCCC2)Nc1cccc2cccnc12 14202168 DUCKLNPLWDLVHU-UHFFFAOYSA-N 409.511 3.421 0 40 HGAB CC(=O)c1ccc(OCC(=O)N2CCN(CCOc3ccc(Cl)cc3)CC2)cc1 14303475 UOQKVWLSYOAZKO-UHFFFAOYSA-N 416.905 3.145 0 40 HGAB COc1cccc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)N[C@H](C)CCCC(C)C)[C@H]4C2=O)c1 6670062 ZYQVPVZYFQKFEK-NTLUWEIDSA-N 412.530 3.313 0 40 HGAB CN(Cc1cccs1)C(=O)CN1C(=O)N[C@@](C)(c2ccc(C(C)(C)C)cc2)C1=O 8948260 QNYXWMOGMRUMQI-QFIPXVFZSA-N 413.543 3.471 0 40 HGAB Cc1cccc(N2CCN(C(=O)c3sccc3NC(=O)c3cnccn3)CC2)c1C 67335798 HQYSJHRVMJWBTR-UHFFFAOYSA-N 421.526 3.370 0 40 HGAB COC(=O)C1CCN(CC(=O)Nc2cc(C3CCCC3)nn2-c2ccccc2)CC1 28928371 OJCXVTPCPXOXJH-UHFFFAOYSA-N 410.518 3.353 0 40 HGAB O=C(c1cccc(F)c1)N1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 15930788 DYMZUODHTFLZNB-UHFFFAOYSA-N 417.289 3.279 0 40 HGAB COc1ccc2c(COC(=O)[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)cc(=O)oc2c1 16329722 QDYMIIJHLNGTHH-CQSZACIVSA-N 417.458 3.492 0 40 HGAB COc1ccc([C@H](C)NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)cc1F 7924919 SLCKPQYAMGBSJU-NSHDSACASA-N 414.886 3.229 0 40 HGAB C[C@H](Sc1ncnc2nc[nH]c12)C(=O)NCCc1c[nH]c2ccc(Cl)cc12 9421544 MODUELXDPWJJPS-JTQLQIEISA-N 400.895 3.327 0 40 HGAB Cc1cc(OCC(=O)NC[C@H]2CCCN3CCCC[C@H]23)c2c3c(c(=O)oc2c1)CCC3 96343730 GZKZUSFMHOOODR-YLJYHZDGSA-N 424.541 3.350 0 40 HGAB CCc1nnc(NC(=O)CSc2nnc(-c3cc4ccccc4o3)n2C)s1 9575608 JFWWPVZCNHWLPU-UHFFFAOYSA-N 400.489 3.373 0 40 HGAB Cc1ccccc1NS(=O)(=O)c1cc(C(=O)NC[C@@H]2CCCO2)ccc1Cl 409410310 MHQSVXWBCHUICT-HNNXBMFYSA-N 408.907 3.358 0 40 HGAB Cc1nc([C@H]2CN(C(=O)c3cn(-c4ccccc4)nc3-c3ccccc3)CCO2)no1 95468221 OVKJVDGIANZBMK-HXUWFJFHSA-N 415.453 3.444 0 40 HGAB CC[C@@H](C)[C@@H](NC(=O)N1CCc2[nH]cnc2[C@@H]1c1ccc(F)c(F)c1F)C(=O)OC 36601718 NAJNDDFNMZKUJN-ZSSDLHNXSA-N 424.423 3.072 0 40 HGAB CCCc1nc(C)c(C(=O)N[C@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)o1 500421421 ABLSHGFNAAHKMH-AWEZNQCLSA-N 409.408 3.485 0 40 HGAB O=C(Nc1ccccc1-n1cc(Br)cn1)[C@H]1CC(=O)N(C2CCCC2)C1 514446063 TXRMQXWGQIVPLM-ZDUSSCGKSA-N 417.307 3.364 0 40 HGAB COc1ccc([C@H]2c3cc4c(cc3O[C@H](N3CCOCC3)[C@H]2C)OCO4)c(OC)c1 31860803 NJSSNAKBDXXDTB-CVRXJBIPSA-N 413.470 3.251 0 40 HGAB Cc1cccc(NC(=O)Cn2c(=O)cnc3cc(C(=O)NC4CCCC4)ccc32)c1C 62007119 YVDGAFLQMBXLNR-UHFFFAOYSA-N 418.497 3.324 0 40 HGAB COc1cc2c(cc1OC)-c1c(c(C(=O)N3CCOCC3)nn1-c1ccccc1F)C2 32087624 DNXOWLDYJNNOBJ-UHFFFAOYSA-N 423.444 3.072 0 40 HGAB O=C(NCCc1c[nH]c2ccccc12)/C(=C/c1cccnc1)NC(=O)c1ccco1 37866208 OHGRXDHQGFCPJW-MOSHPQCFSA-N 400.438 3.286 0 40 HGAB Cc1cc(C)n(-c2ccc(C(=O)N3CCC(n4nnc5cccnc54)CC3)cc2)n1 72335277 YERPFMYGRFXXME-UHFFFAOYSA-N 401.474 3.106 0 40 HGAB Cc1ccccc1Cc1cccc(C2CCN(S(=O)(=O)c3cn(C)cn3)CC2)n1 72350333 WSTDKJBRSHALHR-UHFFFAOYSA-N 410.543 3.283 0 40 HGAB Cn1cnc(S(=O)(=O)N2CCC[C@H](c3nccnc3-c3cccc(Cl)c3)C2)c1 72359151 FJWBDASGOOXHHD-HNNXBMFYSA-N 417.922 3.099 0 40 HGAB Cc1ccc(CN(CC(=O)Nc2ccc(OC(F)(F)F)cc2)S(C)(=O)=O)cc1 224895433 XHGYYRMFPSNDGQ-UHFFFAOYSA-N 416.421 3.294 0 40 HGAB CS(=O)(=O)N(CCCC(=O)NCCc1ccc(F)cc1)c1ccccc1Cl 224668692 REQCDSYHCGTGLW-UHFFFAOYSA-N 412.914 3.384 0 40 HGAB COc1ccc(CC(=O)N2CCN(c3cc(C(F)(F)F)ncn3)CC2)cc1Cl 225730669 HTPXLEYIZSFORO-UHFFFAOYSA-N 414.815 3.049 0 40 HGAB Cc1cccc(N([C@@H](C)C(=O)NCc2ccc(OC(C)C)cc2)S(C)(=O)=O)c1 220145802 XUORRRIXJJRNMZ-KRWDZBQOSA-N 404.532 3.253 0 40 HGAB CC[C@@H](C(=O)n1cc(C(=O)OC)c2ccccc21)N(c1ccccc1)S(C)(=O)=O 222612357 XJAUDNTYMNJQCB-SFHVURJKSA-N 414.483 3.313 0 40 HGAB COc1ccc(C(=O)N2C[C@H](C(=O)NCc3ccccc3)Oc3ccccc32)cc1 222947871 LUSYVZMZHIADOU-JOCHJYFZSA-N 402.450 3.419 0 40 HGAB CS(=O)(=O)N(CC(=O)NCc1cccc2ccccc12)Cc1ccc(F)cc1 226062335 BRPPZRUDWRYWAI-UHFFFAOYSA-N 400.475 3.057 0 40 HGAB Cc1ccc(OCCNC(=O)CCCN(c2ccccc2C)S(C)(=O)=O)c(C)c1 224642387 YGKBQPZNMWBPEU-UHFFFAOYSA-N 418.559 3.353 0 40 HGAB C[C@@H](C(=O)NCc1cccc(C(F)(F)F)c1)N(c1ccccc1F)S(C)(=O)=O 224222402 FOJRQYZBKKAAJK-LBPRGKRZSA-N 418.412 3.315 0 40 HGAB COc1cccc(C(=O)N2C[C@H](C(=O)Nc3cccc(F)c3)C3(CCOCC3)C2)c1 96078666 PIVDDSCRLASTCL-HXUWFJFHSA-N 412.461 3.342 0 40 HGAB CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N1c2ccccc2C[C@H]1C 260793216 HIWIZRTWVWNKIN-QRWLVFNGSA-N 402.516 3.218 0 40 HGAB Cn1ncc(C(=O)N[C@@H](CO)c2cccc(C(F)(F)F)c2)c1Cc1ccccc1 1643654458 XTYSNRPCZASQKY-SFHVURJKSA-N 403.404 3.493 0 40 HGAB COc1ccc(C(=O)CCC(=O)N2CCC[C@H](c3n[nH]c4nccnc34)C2)cc1C 12365078 JGXFVNHBHLBRFG-INIZCTEOSA-N 407.474 3.039 0 40 HGAB COc1ccc2nc(NC(=O)CN3CCN(c4ccccc4OC)CC3)sc2c1 17089244 BWNRYAMWSUQNAA-UHFFFAOYSA-N 412.515 3.074 0 40 HGAB CCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccc(CC)cc3)cc2)CC1 17094083 DKDYDVBJJRYFIY-UHFFFAOYSA-N 424.570 3.434 0 40 HGAB COc1ccc(OC)c([C@H]2CCCN2C(=O)c2cc(C(C)(C)C)n3ncnc3n2)c1 19083871 GYFZMTZWBSFEGZ-QGZVFWFLSA-N 409.490 3.416 0 40 HGAB CC(C)(C)c1ccc(C(=O)N2CCN(Cc3nc4ccccc4c(=O)[nH]3)CC2)cc1 19084440 HFYGNGKWFCVCLL-UHFFFAOYSA-N 404.514 3.179 0 40 HGAB Cc1cc(-c2cnn(CCO)c2[C@H]2CCCCN2C(=O)c2sc(C)nc2C)on1 19124405 MXBZQONVOHJSBR-MRXNPFEDSA-N 415.519 3.280 0 40 HGAB Cc1ccc2c(c1)C(=O)N([C@@H](C)C(=O)Nc1nc(C)cs1)CC1(CCOCC1)O2 19218677 GMPFTAVNQLYJBZ-HNNXBMFYSA-N 415.515 3.171 0 40 HGAB COc1cccc(C(=O)N2CCC[C@H]2c2n[nH]cc2-c2ccnc(N3CCCC3)n2)c1 19564465 NMVNTZVPBUKXJR-FQEVSTJZSA-N 418.501 3.453 0 40 HGAB C[C@H]1CCCN(c2nc3c(c(=O)[nH]2)CN(C(=O)C(C)(C)c2ccc(F)cc2)CC3)C1 19665919 MOJZFPLUFKCSKU-HNNXBMFYSA-N 412.509 3.008 0 40 HGAB CCc1nc2ccccc2n1[C@H](C)C(=O)Nc1ccc(C)c(S(=O)(=O)N(C)C)c1 19718462 GELTUNKEZNZLEZ-OAHLLOKOSA-N 414.531 3.357 0 40 HGAB C[C@H](CCC(=O)O)[C@@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)C[C@H](O)[C@]4(C)[C@H]3C[C@H](O)[C@@]21C 256285949 DAKYVYUAVGJDRK-BSZBMLCYSA-N 408.579 3.449 0 40 HGAB in-vitro CCn1c(SCc2nnc(C)o2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 5311076 JOQPTBSWWLKJER-UHFFFAOYSA-N 421.548 3.215 0 40 HGAB Cc1ccc(CN2CCC3(CC2)CNC(=O)COc2ccccc2CCCCO3)cn1 2037985822 XPAGBMXJXAICAW-UHFFFAOYSA-N 423.557 3.273 0 40 HGAB COc1ccc(C(=O)CSc2ncnc3c2nnn3Cc2ccccc2F)cc1 4166545 GAVDIIKTMVQDNM-UHFFFAOYSA-N 409.446 3.392 0 40 HGAB O=C(CS(=O)(=O)Cc1ccccc1)Nc1nc(-c2ccc3c(c2)OCO3)cs1 10619042 SBTNKEMQUGTUFL-UHFFFAOYSA-N 416.480 3.092 0 40 HGAB CCn1/c(=N\C(=O)CCS(=O)(=O)c2ccccc2)sc2cccc(OC)c21 100911202 JDKKZIXDUXZNRM-FMQUCBEESA-N 404.513 3.023 0 40 HGAB CCOC(=O)[C@@H]1[C@H]2NC(=S)N(Cc3ccc(OC)cc3)[C@@]1(C)Oc1ccccc12 100029998 GRTUZAFHIUONIW-IPJJNNNSSA-N 412.511 3.415 0 40 HGAB COc1cc(NC(=O)NC[C@@H](C)N(C)c2ccccc2)c(C(=O)N(C)C)cc1OC 40105551 CAPGQKBAJRYANA-OAHLLOKOSA-N 414.506 3.052 0 40 HGAB Cc1ccc(Cl)cc1N1CCN(S(=O)(=O)C[C@]23CC[C@@H](CC2=O)C3(C)C)CC1 100937605 AFRMFWLXYPQQJG-HRAATJIYSA-N 424.994 3.496 0 40 HGAB CCCCN1C(=O)[C@@H](CC(=O)Nc2ccc3c(c2)OCO3)n2c1nc1ccccc12 20717711 PQOKRJADCFIRBM-QGZVFWFLSA-N 406.442 3.482 0 40 HGAB Cc1cc(NC(=O)[C@H](C)OC(=O)c2c(Br)c3ccccc3n2C)on1 46410695 LDJKGHNMIUQLFJ-JTQLQIEISA-N 406.236 3.421 0 40 HGAB COC[C@@H](C)n1c(SCc2cc(=O)n3cc(C)ccc3n2)nc2ccccc2c1=O 2625395 FFEGRDNVVBMFLV-OAHLLOKOSA-N 422.510 3.213 0 40 HGAB CC1(C)CC(NC(=O)CCc2nc3ncc(Br)cc3[nH]2)CC(C)(C)N1 79486533 WEFBMAWWHCNMGC-UHFFFAOYSA-N 408.344 3.078 0 40 HGAB CCOc1ccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)cc1OCC 7495384 AQOCWECZEGHLFT-UHFFFAOYSA-N 408.495 3.134 0 40 HGAB COc1ccc(NC(=O)CSc2nnc(-c3ccc(OC)cc3OC)o2)cc1 7939513 DQHGJSUHBQTPGN-UHFFFAOYSA-N 401.444 3.493 0 40 HGAB Cc1ccc([C@@H](CNC(=O)c2cc(=O)c3ccc(C)c(C)c3o2)N2CCN(C)CC2)o1 22938446 ZIOGKXLGTFFIIX-LJQANCHMSA-N 423.513 3.030 0 40 HGAB COc1ccc(Cn2nnnc2S[C@@H](C)C(=O)N[C@@H]2CCCc3ccccc32)cc1 8327246 PXWNRNPKCIXGDY-MGPUTAFESA-N 423.542 3.404 0 40 HGAB Cc1cnc(C(=O)Nc2ccc(S(=O)(=O)N[C@@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)cc2)cn1 104748653 PDSHEVHHSRORCH-FPXQBCRKSA-N 414.531 3.140 0 40 HGAB Cn1ccnc1[C@H](NC(=O)CCn1c(=O)oc2cc(Cl)ccc21)c1ccccc1 12629683 OIRRLGMKYJDZAS-LJQANCHMSA-N 410.861 3.277 0 40 HGAB O=C(Nc1ccc(F)cc1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1 20007806 CEKUBHWLEOZFKG-HXUWFJFHSA-N 416.449 3.493 0 40 HGAB COc1ccc(-c2nnc(SCC(=O)Nc3cc(C)ccc3C)n2N)cc1OC 2396063 ULGRGUBSPXCZQQ-UHFFFAOYSA-N 413.503 3.024 0 40 HGAB CC(=O)Nc1sc(C)c(C)c1C(=O)O[C@@H](C)C(=O)Nc1ccc2c(c1)OCCO2 3365648 XYYJJFNCLHCFOB-NSHDSACASA-N 418.471 3.279 0 40 HGAB Cc1ccc(S[C@@H](C)C(=O)N2CCC(NS(=O)(=O)c3ccccc3)CC2)cc1 11159807 UODJUHIBZFTJEF-KRWDZBQOSA-N 418.584 3.445 0 40 HGAB CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)NCc1ccc(C(=O)N2CCCC2)cc1 36661149 AHXLTGLICDMGCB-PGRDOPGGSA-N 421.541 3.384 0 40 HGAB O[C@@H](COc1ccc(Oc2ccccc2)cc1)CN1CCN(c2nccs2)CC1 12787691 QVPACWIKQHIEJF-GOSISDBHSA-N 411.527 3.497 0 40 HGAB CCOC(=O)c1ccc(C(=O)c2cccc(CN3CCC4(CC3)OCCO4)c2)cc1 2515225 JMOUETOGGMKHTK-UHFFFAOYSA-N 409.482 3.433 0 40 HGAB CC(=O)Nc1cccc(OCc2c(Br)c(=O)n(-c3ccccc3)n2C)c1 2549906 VEIPURBOHKURLP-UHFFFAOYSA-N 416.275 3.476 0 40 HGAB CC[C@@H](C(=O)N1CCN(c2ccc3nnc(-c4ccco4)n3n2)CC1)c1ccccc1 23135472 CGDRKWXICWPMIS-GOSISDBHSA-N 416.485 3.227 0 40 HGAB COc1cc(CNC(=O)Cc2ccc3c(c2)OCCO3)ccc1OCc1ccncc1 48374941 RVRDNZWLUPQVPS-UHFFFAOYSA-N 420.465 3.299 0 40 HGAB O=C(CCc1cnn(-c2ccccc2)c1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 12896139 NTBSOYGMXKKUBB-UHFFFAOYSA-N 415.497 3.312 0 40 HGAB CCOc1cc(-c2nnc(NC(C)=O)s2)cc(I)c1OC 39389324 KRNUHCKGJKVNSL-UHFFFAOYSA-N 419.244 3.175 0 40 HGAB COc1ccc(CCNC(=O)COC(=O)c2ccc(C(F)(F)F)cc2)cc1OC 5111740 ACAOJFYZQCDDHC-UHFFFAOYSA-N 411.376 3.238 0 40 HGAB CSc1ccc([C@@H](C)NC(=O)CN(CCc2ccccc2)S(C)(=O)=O)cc1 20013226 GCVJJYDPRBSVTA-MRXNPFEDSA-N 406.573 3.090 0 40 HGAB Cc1[nH]c2ccccc2c1C(=O)COC(=O)C1(CC(=O)N2CCOCC2)CCCC1 14199330 GMWAXBQGNHWADA-UHFFFAOYSA-N 412.486 3.012 0 40 HGAB O=C(CCCCCNC(=O)N1CCn2c1nc1ccccc12)NCCc1ccccc1 6671740 SAUCXRDSGZZNSU-UHFFFAOYSA-N 419.529 3.485 0 40 HGAB CCCCn1c(N)c(N(CCC(C)C)C(=O)c2cc3c(s2)CCC3)c(=O)[nH]c1=O 14623257 OWFURWMPXRFCNB-UHFFFAOYSA-N 418.563 3.162 0 40 HGAB Cc1cc(C(=O)CSc2nnnn2Cc2ccccc2)c(C)n1C[C@H]1CCCO1 14676645 GLCVCVMRVISENU-GOSISDBHSA-N 411.531 3.294 0 40 HGAB COc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(SCc4ccccc4)nn32)cc1 4735703 PEXUHYJRKYGAGJ-MRXNPFEDSA-N 409.471 3.101 0 40 HGAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccc(F)c(Cl)c2)cc1 408600683 BZQVDFDOMNXDTI-NSHDSACASA-N 400.859 3.183 0 40 HGAB Cc1ccc(CN(C(=O)COc2ccc(Cl)cc2C)[C@H]2CCS(=O)(=O)C2)o1 6810361 XTVHLOMZUPOHHV-INIZCTEOSA-N 411.907 3.145 0 40 HGAB CC(C)(C)N1C[C@H](C(=O)Nc2nnc(CCCOc3ccccc3)s2)CC1=O 4975840 WAKCRUBDNNBQOB-CQSZACIVSA-N 402.520 3.135 0 40 HGAB Cc1cccc(C)c1N1C(=O)C[C@@H](N2CCC(C(=O)Nc3ccccc3)CC2)C1=O 15470090 MDGDOIWAOLMCHL-HXUWFJFHSA-N 405.498 3.286 0 40 HGAB CCOc1ccc(NC(=O)c2nnn(CC(=O)Nc3ccc(C)cc3C)c2C)cc1 71327208 DRHDAGXBDCFJJN-UHFFFAOYSA-N 407.474 3.493 0 40 HGAB CCOC(=O)[C@@H]1CCCN(CC(=O)Nc2nc(-c3ccc(OC)cc3)cs2)C1 7548213 FMHSJMBLKIMQJS-OAHLLOKOSA-N 403.504 3.032 0 40 HGAB O=C(Oc1ccccc1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 7981314 IYXVMHWMNBNTQV-UHFFFAOYSA-N 400.500 3.071 0 40 HGAB O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)c1n[nH]c(=O)c2ccccc12 8209982 FCXHVSDDSBBKKT-UHFFFAOYSA-N 400.442 3.160 0 40 HGAB Cc1nnc(NC(=O)[C@@H](C)Sc2nnc(COc3ccc(Cl)cc3)n2C)s1 9304113 GIIVBLJSZHBVIC-SECBINFHSA-N 424.939 3.327 0 40 HGAB CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)S(=O)(=O)CCOC(C)C 72307517 AJMIGCDQXMOGEV-UHFFFAOYSA-N 411.351 3.399 0 40 HGAB CCCN1C(=O)[C@@](NC(=O)c2ccc(OC)cc2)(C(F)(F)F)N=C1c1ccccc1 19939418 CZGPQKWZEZELEP-HXUWFJFHSA-N 419.403 3.383 0 40 HGAB O=C(CSc1nnnn1-c1cccc(Cl)c1)Nc1ccc2c(c1)OCCCO2 9824338 FZYAEENAYCKWCN-UHFFFAOYSA-N 417.878 3.208 0 40 HGAB CC(=O)Nc1cccc(C(=O)Nc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)c1 9835129 DWGVEGWCNFHLNT-UHFFFAOYSA-N 415.515 3.318 0 40 HGAB CC(C)(C)OC(=O)NC[C@@H](NC(=O)c1nccnc1N)c1ccc2ccccc2c1 95446672 GMDJKNJNTZFRCN-QGZVFWFLSA-N 407.474 3.208 0 40 HGAB COc1cc(-c2nc(C)c(C(=O)N[C@H](CO)CC(C)C)s2)cc(OC)c1OC 98037926 GSSDJHLOFVNRCQ-AWEZNQCLSA-N 408.520 3.281 0 40 HGAB COc1ccc(-c2nc(C(=O)N3CCCC[C@@H](N4CCN(C)CC4)C3)cs2)cc1 89382636 BYPSTRTUEFIIRW-GOSISDBHSA-N 414.575 3.061 0 40 HGAB Cc1ccc(C)n1NC(=O)c1cccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)c1 408683248 KXIMOPNXNKABQN-HQZQWKOLSA-N 401.466 3.046 0 40 HGAB CCc1ccc(NC(=O)CCCN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1 113964890 XHDIJTPTWOUESL-UHFFFAOYSA-N 418.515 3.205 0 40 HGAB COc1ccccc1/C=[N+]1\NC(=O)[C@@H](NC(=O)c2ccc(C)cc2)[C@H]1c1ccccc1 409073963 UZWYXSNHSFOKSA-HFXBMHRVSA-O 414.485 3.020 0 40 HGAB Cc1nc(-c2ccccn2)sc1C(=O)NCc1ccccc1CN1CCOCC1 21935274 OZXTWAWHMJYYMB-UHFFFAOYSA-N 408.527 3.276 0 40 HGAB COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)NC(C)(C)C 20009342 OSFPZXMEGGYZTQ-INIZCTEOSA-N 424.950 3.153 0 40 HGAB CCn1cc(C(=O)NCCc2ccc(OC)c(OC)c2)c(=O)c2cc(OC)ccc21 22235698 ITNJAJRBOFXGPW-UHFFFAOYSA-N 410.470 3.020 0 40 HGAB CC[C@H](C)NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 33739545 RBOPCVYNIHFSIV-AWEZNQCLSA-N 406.504 3.057 0 40 HGAB O=C(N1CCN(c2ccc(-c3ccco3)nn2)CC1)C1(c2ccccc2)CCOCC1 38488044 JSERDNQYAYWGCS-UHFFFAOYSA-N 418.497 3.134 0 40 HGAB O=C(NCC1CC1)[C@H]1CCCN(C(=O)c2ccc3c(c2)nc(O)n3C2CCCC2)C1 512174975 IZVZACLFMMPOGH-KRWDZBQOSA-N 410.518 3.235 0 40 HGAB CC1=CC[C@@H]2C(=O)N(c3cccc(C(=O)Nc4cccc(C(=O)O)c4)c3)C(=O)[C@@H]2C1 408683410 MURAMHVSNUFCMY-RBUKOAKNSA-N 404.422 3.483 0 40 HGAB Cc1ccccc1N(CC(=O)N1CCC(Cc2ccccc2)CC1)S(C)(=O)=O 32896709 LDVZIFLSLCFYJJ-UHFFFAOYSA-N 400.544 3.242 0 40 HGAB CS(=O)(=O)Nc1ccc(Cl)c(C(=O)NCCCN2CCCc3ccccc32)c1 219285475 NTASYBHEUGBYRK-UHFFFAOYSA-N 421.950 3.284 0 40 HGAB CCOCCCNc1ccc(C(=O)O)cc1S(=O)(=O)NCCC1=CCCCC1 217455749 LEOOCCXLEMTORK-UHFFFAOYSA-N 410.536 3.392 0 40 HGAB COc1cccc(OCCNC(=O)c2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)c1 32800856 OGIDJDLGLUBEDJ-UHFFFAOYSA-N 422.481 3.433 0 40 HGAB O=S(=O)(NC[C@@H](O)c1ccc(C(F)(F)F)cc1)c1ccccc1Br 70964654 IQWDKWVQHJCNBJ-CYBMUJFWSA-N 424.238 3.480 0 40 HGAB Cc1ccc(C)c(N(CC(=O)Nc2ccc(N3CCCC3)cc2)S(C)(=O)=O)c1 224903831 KOMSYVHLTACZGS-UHFFFAOYSA-N 401.532 3.308 0 40 HGAB COc1cc2c(cc1S(=O)(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1)CCCC2 223893421 UFUBYBAEKDSIJW-AWEZNQCLSA-N 423.556 3.017 0 40 HGAB COC[C@H](C)NC(=O)c1cnn2c1N[C@@H](c1cccc(OC)c1)C[C@H]2C(F)(F)F 85879355 BDYRVECIQXJCEC-XZJROXQQSA-N 412.412 3.317 0 40 HGAB COc1cc(NC(=O)c2ccc(C)c(N(C)S(C)(=O)=O)c2)c(OC)cc1Cl 222457238 NPHQBKTUYOAVIF-UHFFFAOYSA-N 412.895 3.314 0 40 HGAB Cc1cc(S(=O)(=O)N2CCCCC2)ccc1OCC(=O)N(C)c1ccccc1 222784095 UCRLFOVXTSGHJY-UHFFFAOYSA-N 402.516 3.211 0 40 HGAB CCCCOCc1cc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)ccc1OCC 224729229 MQTZOTZMFXMALO-UHFFFAOYSA-N 406.504 3.302 0 40 HGAB Cc1nc(-c2nc(C(=O)NCc3cccnc3)c3ccccn23)cn1Cc1ccncc1 96155212 IKGXRDXDHIMZNW-UHFFFAOYSA-N 423.480 3.275 0 40 HGAB COC(=O)C[C@@H](c1cnn(C)c1)c1c(O)n[nH]c1Cc1ccc(OC(F)(F)F)cc1 96230816 NQWMLXHYGKTPNO-AWEZNQCLSA-N 424.379 3.033 0 40 HGAB Cc1cc(Nc2cnccn2)cc(C2CCN(CC(=O)N3CCC(C)CC3)CC2)n1 257320588 VXLSECWUBBZRKM-UHFFFAOYSA-N 408.550 3.362 0 40 HGAB Cc1cc(Nc2nc(C)c(C)s2)cc([C@@H]2CN(C(=O)c3ccc(N)nc3)CCO2)n1 257212110 CBZSEJSFAGEWPH-SFHVURJKSA-N 424.530 3.398 0 40 HGAB Cc1cc(-c2nccn2C)nc(C2CCN(C(=O)c3n[nH]c4ccccc34)CC2)n1 257264081 LSVIIVNFGVNJEU-UHFFFAOYSA-N 401.474 3.082 0 40 HGAB COc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC(=O)[C@H]1CC[C@H](Cn2cnnn2)CC1 257199444 LGNWJJKOMKEOFG-STXHMFSFSA-N 408.506 3.163 0 40 HGAB COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)cc1OC 260798353 SEVVNTCANDCEPN-ORSJUXOSSA-N 410.470 3.373 0 40 HGAB Cc1sc2ncnc(N3CCC(C(=O)NCc4cnc(Cl)cn4)CC3)c2c1C 1160943557 OAOBOLFFGPPKRD-UHFFFAOYSA-N 416.938 3.284 0 40 HGAB CC(=O)c1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@H](C(=O)c2ccc(C)cc2)N2CCC[C@H]32)cc1 5203131 PGEPDVMBAYDJFH-GXRSIYKFSA-N 416.477 3.033 0 40 HGAB CCOc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Cl)c1OCc1ccc(C)cc1 5712024 MANCLHPEETVPDW-UHFFFAOYSA-N 414.845 3.376 0 40 HGAB CCOc1ccccc1NC(=O)c1ccc(OC)c(S(=O)(=O)N(CC)CC)c1 13581405 CPGYTLBYMNYGID-UHFFFAOYSA-N 406.504 3.377 0 40 HGAB CCc1cccc(CC)c1NC(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC 14400729 QQQSXGXHLZILNY-UHFFFAOYSA-N 418.515 3.335 0 40 HGAB Cc1ccc(-c2nnc([C@H]3CCN(S(=O)(=O)c4cccc(Cl)c4)C3)o2)cn1 19215205 JAOCBXYYSBHNNZ-AWEZNQCLSA-N 404.879 3.272 0 40 HGAB O=C(c1cccc(F)c1)N1CCN(Cc2cc(-c3ccc(F)cc3)c[nH]c2=O)CC1 19293582 VFKNODAGYKIWNS-UHFFFAOYSA-N 409.436 3.278 0 40 HGAB CN(C)C(=O)[C@@]1(Cc2cccc(-c3cccs3)c2)CCN(C(=O)[C@H]2CCCO2)C1 19579867 WWSQRSDBCOMEMT-AUSIDOKSSA-N 412.555 3.444 0 40 HGAB Nc1ccc(N2CCOCC2)c(C(=O)Nc2c(F)cc(F)cc2Br)c1 226324678 QSRWGBACWDWARB-UHFFFAOYSA-N 412.234 3.398 0 40 HGAB COc1ccccc1O[C@H](C)C(=O)N1CCC(c2noc(-c3cnc(C)cn3)n2)CC1 19239038 GHVHXESJTHEMLS-OAHLLOKOSA-N 423.473 3.017 0 40 HGAB Cc1ccc(NC(=O)Cn2cnc3c(cnn3-c3ccc(C)c(C)c3)c2=O)c(C)c1 807131 NCIMSAJESGWHQY-UHFFFAOYSA-N 401.470 3.455 0 40 HGAB CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nnc(C3CC3)o2)cc1 2720190 NWOADXGWGHKNKK-UHFFFAOYSA-N 412.471 3.415 0 40 HGAB Cc1c(Cl)cccc1N1C[C@@H](C)Cn2c1nc1c2c(=O)n(CC(C)C)c(=O)n1C 4249480 RWVFIZWPECWINW-CYBMUJFWSA-N 415.925 3.302 0 40 HGAB CCOc1ccc(-c2ccc3nnc(SCC(=O)NCc4ccco4)n3n2)cc1 5187584 DAZSPIQCXBVWFX-UHFFFAOYSA-N 409.471 3.192 0 40 HGAB CCn1c(SCC(=O)Nc2c(C)cc(C)cc2C)nnc1-c1cn(C)nc1OC 12422622 AIBRDNYABUGODH-UHFFFAOYSA-N 414.535 3.363 0 40 HGAB Cc1c(C(=O)N2CCC3(CC2)CC(=O)N(Cc2cccc(F)c2)C3)nc2ccccn12 2055795760 SDIQCSFEGLSKRU-UHFFFAOYSA-N 420.488 3.437 0 40 HGAB O=S(=O)(NCC[C@H](CCO)c1ccsc1)c1ccc(OC(F)(F)F)cc1 575608717 XMMYJSUQTYWTKM-GFCCVEGCSA-N 409.451 3.481 0 40 HGAB COC(=O)[C@@H](CC(C)C)NC(=O)N1CCc2[nH]cnc2[C@H]1c1ccc(F)c(F)c1F 36601554 PYFMREOTJIPHOB-RDTXWAMCSA-N 424.423 3.072 0 40 HGAB CN(C(=O)Cn1c(=O)n(CCc2ccccc2)c(=O)c2ccccc21)c1ccccc1 4906635 MQKFUVJXAYYUJN-UHFFFAOYSA-N 413.477 3.069 0 40 HGAB O=C1C[C@@H](C(=O)N2CCC[C@H]2c2nnc3ccccn23)CN1c1cccc(Cl)c1 40069351 OKTLONZVMRUKMR-PBHICJAKSA-N 409.877 3.099 0 40 HGAB Cc1cccc(NC(=O)CN2N=N[C@H]3C(=O)N(c4ccc(C(C)C)cc4)C(=O)[C@H]32)c1 100036873 YNXOMGWSCCGCTE-UXHICEINSA-N 405.458 3.050 0 40 HGAB C[C@@H]1c2cccn2CCN1C(=O)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1 30799496 DJVLCECZUMXEAQ-KGLIPLIRSA-N 402.292 3.207 0 40 HGAB O=C(Cc1csc2nc(-c3ccccc3)cn12)Nc1cccc(-n2cnnn2)c1 32491935 RMUDPZSQWROMHT-UHFFFAOYSA-N 401.455 3.220 0 40 HGAB CC(=O)Nc1ccc(SCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)cc1 32666580 IPRXWCZZNSEKDY-IBGZPJMESA-N 411.483 3.031 0 40 HGAB Cc1oc(-c2ccccc2)nc1CC(=O)NCCN1CCN(Cc2ccccc2)CC1 32759889 PKGCOGJQZMCTNV-UHFFFAOYSA-N 418.541 3.127 0 40 HGAB Cc1nn(-c2ccccc2)c(C)c1[C@H]1C(=O)NCCN1C(=O)Nc1ccccc1F 32869829 KKVMUNIHIPJKIZ-FQEVSTJZSA-N 407.449 3.333 0 40 HGAB COC(=O)[C@@H](c1ccccc1Cl)N1CCN(C(=O)Nc2cccc(OC)c2)CC1 32893547 QBFPUVTYDDIODY-LJQANCHMSA-N 417.893 3.412 0 40 HGAB C[C@@H](Sc1nnc(C[C@@H]2CCS(=O)(=O)C2)o1)C(=O)c1cccc(Cl)c1 21623853 PEHOVBIOFLSJDJ-MNOVXSKESA-N 400.909 3.064 0 40 HGAB Cc1cc(NS(=O)(=O)c2ccc(NC(=O)COc3ccc(Cl)cc3)cc2)no1 904154 SZUWGHCWHZDEDS-UHFFFAOYSA-N 421.862 3.455 0 40 HGAB COc1cccc(C(=O)Nc2c3c(nn2-c2ccc(F)cc2)C[S@](=O)C3)c1OC 2725069 WHHUFCWLHFPKAC-LJAQVGFWSA-N 415.446 3.043 0 40 HGAB O=C(COc1ccc2c3c(c(=O)oc2c1)CCCC3)N1CC[C@@]2(O)CCCC[C@H]2C1 4073790 QQIHCFGOCLDCLG-FYSMJZIKSA-N 411.498 3.204 0 40 HGAB biogenic CCOC(=O)N1CCN(c2nc(-c3cccc(OC)c3)cc(C(F)(F)F)n2)CC1 4101824 HHUUIMGDNKEJNU-UHFFFAOYSA-N 410.396 3.450 0 40 HGAB COc1ccc(C2=NN(C(=O)COc3ccccc3C(N)=O)[C@H](c3ccco3)C2)cc1 4550305 XOKNUUFCESKWKL-IBGZPJMESA-N 419.437 3.144 0 40 HGAB O=C1C2=C(CCCC2)[C@@H](NCCCN2CCOCC2)N1CCc1ccc(Cl)cc1 4591158 HPHJUSKSLGUJEH-QFIPXVFZSA-N 417.981 3.233 0 40 HGAB Cn1c(CC(=O)Nc2ccccc2Cl)nnc1SCC(=O)NC1CCCCC1 4814666 JOOYEFBAAGAUEB-UHFFFAOYSA-N 421.954 3.191 0 40 HGAB COc1ccc(Cl)cc1NS(=O)(=O)c1cc2c3c(c1)CCC(=O)N3CCC2 5154206 WOHCAQKBHSSQCJ-UHFFFAOYSA-N 406.891 3.375 0 40 HGAB COc1ccc(OC)c(-c2cc3ccc(OC(=O)N4CCOCC4)cc3oc2=O)c1 5245108 DREOKGJZPGDOBP-UHFFFAOYSA-N 411.410 3.308 0 40 HGAB biogenic COc1ccc([C@@H]2c3c(oc4cc(OC)ccc4c3=O)C(=O)N2CCCN(C)C)cc1 5345587 WNRFZXMNQLNTBW-OAQYLSRUSA-N 422.481 3.307 0 40 HGAB Cc1cc(NC(=O)COC(=O)c2ccc(NC(N)=O)cc2)ccc1Br 6281144 OFOUVECVTJRUFT-UHFFFAOYSA-N 406.236 3.044 0 40 HGAB Cc1ccccc1NC(=O)CSc1nc2nccnc2c(=O)n1Cc1ccccc1 6818541 BBUGKBAVKQMLME-UHFFFAOYSA-N 417.494 3.274 0 40 HGAB Cc1cccc(NC(=O)COC(=O)[C@@H](CC(C)C)N2C(=O)c3ccccc3C2=O)c1 6867486 TYPHMCSYMVZTQU-LJQANCHMSA-N 408.454 3.188 0 40 HGAB CC(=O)c1ccc(NC(=O)CN2C[C@@H](C(=O)N3CCCCC3)Oc3ccccc32)cc1 7251918 NKWCHKLKNXTNLP-QFIPXVFZSA-N 421.497 3.108 0 40 HGAB Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)c3c(F)cccc3F)CC2)c(C)c1 7805638 JVZVBOVCIUQILA-UHFFFAOYSA-N 408.470 3.037 0 40 HGAB COc1ccc(OC)c(N2C[C@@H](C(=O)O[C@H](C)C(=O)c3ccc(C)cc3)CC2=O)c1 7881555 NVXWSLPSOFSXCM-WBVHZDCISA-N 411.454 3.180 0 40 HGAB COc1cccc(NC(=O)CN(C)C(=O)c2cc(C3CC3)nn2-c2ccccc2)c1 7990924 PQUZSVXDKWTRNW-UHFFFAOYSA-N 404.470 3.469 0 40 HGAB O=C(CNC(=O)c1ccc(Br)o1)Nc1cccc(Br)c1 8206190 ODSLFMKZPWDWOR-UHFFFAOYSA-N 402.042 3.173 0 40 HGAB NC(=O)N[C@H](CC(=O)Nc1ccc(N2CCCC2=O)cc1)c1ccccc1Cl 8269732 DBHPGHIEVAIYBC-QGZVFWFLSA-N 400.866 3.205 0 40 HGAB COc1cc([C@@H]2CC(=O)Nc3nc(C)[nH]c(=O)c32)ccc1OCc1ccc(F)cc1 8768087 JUFPRLFJKZTFPB-INIZCTEOSA-N 409.417 3.279 0 40 HGAB CCOCCCNC(=S)N(Cc1ccccc1)Cc1nc2ccccc2c(=O)[nH]1 8829048 RCUFQEKOSIVSRM-UHFFFAOYSA-N 410.543 3.226 0 40 HGAB COc1ccc(Cl)cc1N([C@@H](C)C(=O)N1c2ccccc2C[C@H]1C)S(C)(=O)=O 10449900 WMUDGFLWUYPYIS-KGLIPLIRSA-N 422.934 3.481 0 40 HGAB O=C(c1nsc(Cl)c1Cl)N1C[C@H]2Cc3cnc(N4CCCC4)nc3[C@H]2C1 12120658 HJBAVSJXICIYPF-MNOVXSKESA-N 410.330 3.252 0 40 HGAB COc1ccccc1OC[C@H](O)CNc1c(C)c(C)nc2cc(-c3ccco3)nn12 12251559 QYMQZCRZUHPBNN-MRXNPFEDSA-N 408.458 3.467 0 40 HGAB Cc1ccc(-c2cc(C(=O)NCc3nnc4ccc(C(F)(F)F)cn34)[nH]n2)cc1 12506663 QRQDSGYZYQMALC-UHFFFAOYSA-N 400.364 3.377 0 40 HGAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccc(F)c(NS(C)(=O)=O)c1 12778400 AGWNGOZESROGHU-LJQANCHMSA-N 417.462 3.100 0 40 HGAB COc1ccccc1[C@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 12845417 VMDHFZSJXWQHMT-JKSUJKDBSA-N 420.506 3.112 0 40 HGAB O=c1c2ccc(Cl)cc2ncn1C[C@H](O)COc1cccc(Br)c1 12883722 CUNUEYMFRVCCML-ZDUSSCGKSA-N 409.667 3.252 0 40 HGAB CCN1C[C@@H](CN(C)CC(=O)Nc2ccccc2N2CCCC2)Oc2ccccc21 14094992 LTRMKAZGNACQBJ-LJQANCHMSA-N 408.546 3.445 0 40 HGAB CCCCn1c(N)c(N(CC(C)C)C(=O)c2cc(C)nc3ccccc23)c(=O)[nH]c1=O 14670237 DYYGMERSKALAOA-UHFFFAOYSA-N 423.517 3.078 0 40 HGAB CC(=O)Nc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)cc1 15268433 LGOYWVXRZIMOMA-UHFFFAOYSA-N 421.906 3.335 0 40 HGAB Cc1nnc2sc(-c3cccc(NC(=S)NC(=O)Cc4ccccc4)c3)nn12 17088006 AOYWYPFFANNVPT-UHFFFAOYSA-N 408.512 3.217 0 40 HGAB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NCc3ccc4c(c3)OCO4)c2)cc1 17320826 JISKGMCIZOXDEG-UHFFFAOYSA-N 424.478 3.455 0 40 HGAB O=C(Nc1ccncc1)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 17584307 ZMAKEJLDOKEZKG-UHFFFAOYSA-N 414.314 3.428 0 40 HGAB CCn1nc(C)c([C@H](C)NC(=O)[C@@H]2CC(=O)N(CCc3c[nH]c4ccccc34)C2)c1C 19523728 NJDOSFCGDKUMES-HNAYVOBHSA-N 421.545 3.270 0 40 HGAB O=C(CN1CCCC1)N1CC[C@@H](c2ccc3c(NCc4ccc(F)cc4)n[nH]c3n2)C1 19704984 ZHMPCMUBQOVVKS-QGZVFWFLSA-N 422.508 3.121 0 40 HGAB O=C(NCc1ccc(F)cc1)C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1 19933352 GGIRUIKDARECHS-UHFFFAOYSA-N 424.925 3.337 0 40 HGAB CSc1ccc([C@H](C)NC(=O)COc2ccc(S(=O)(=O)N(C)C)cc2C)cc1 20022662 FHHCGSDCRSNBAR-HNNXBMFYSA-N 422.572 3.223 0 40 HGAB Cc1ccc(S(=O)(=O)c2cnc3ccc(C)cc3c2N2CCC(C(N)=O)CC2)cc1 20381163 YONVUWDRGONGPI-UHFFFAOYSA-N 423.538 3.386 0 40 HGAB COC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(N3CCCC3=O)c(C)c2)c1 20456383 FUVCEYCMDSWETB-UHFFFAOYSA-N 402.472 3.018 0 40 HGAB COc1ccc(-c2c(C)oc3cc(OCCN4CCN(C)CC4)ccc3c2=O)cc1 20590393 FFJNLLDPANECNV-UHFFFAOYSA-N 408.498 3.403 0 40 HGAB biogenic COc1ccc(C)cc1N(CC(=O)N[C@@H](C)c1ccc(C)c(C)c1)S(C)(=O)=O 22336475 NGGDHMRZKPIEPE-KRWDZBQOSA-N 404.532 3.264 0 40 HGAB CCCOc1ccc(N(CC(=O)NCCCc2ccc(F)cc2)S(C)(=O)=O)cc1 22401105 ADJJPHZTPCYWKB-UHFFFAOYSA-N 422.522 3.130 0 40 HGAB O=c1ccc(C(F)(F)F)cn1CN1CCN(Cc2nc3ccccc3s2)CC1 22789448 BLXQCCTZBYGBHT-UHFFFAOYSA-N 408.449 3.252 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(C(=O)NCCOc2cc(C)cc(C)c2)cc1 23142485 FEDJJJMOLGKJRQ-UHFFFAOYSA-N 404.532 3.143 0 40 HGAB CCOc1ccc(-c2noc(CCC(=O)Nc3ccc(Cn4cncn4)cc3)n2)cc1 23176094 KSWYADKXUYFYFL-UHFFFAOYSA-N 418.457 3.346 0 40 HGAB COc1ccc(CN2CCN(Cn3c(=O)oc4cc(Cl)ccc43)CC2)cc1OC 23257156 QJFSCGJTMSKIFE-UHFFFAOYSA-N 417.893 3.040 0 40 HGAB Cc1ccc(CN(C)C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)cc1 23602474 HIOAXNAWVLDKPH-GOSISDBHSA-N 404.507 3.193 0 40 HGAB Cc1cc(Br)ccc1NC(=O)CNC(=O)c1ccc(-n2ccnc2)cc1 24049649 JLHLWVNVFSFCBQ-UHFFFAOYSA-N 413.275 3.312 0 40 HGAB CN(CCOc1ccc(F)cc1)C(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2 24387840 XYVIHYKXBKQKEV-UHFFFAOYSA-N 402.510 3.386 0 40 HGAB Cc1ccnc(NC(=O)c2ccc(S(=O)(=O)N3CCc4ccccc4C3)cc2)c1 24831050 ZYPQPGUPKCLSCR-UHFFFAOYSA-N 407.495 3.389 0 40 HGAB CNC(=O)C1CCN(C(=O)c2cc(-c3ccco3)n(-c3ccc(Cl)cc3)n2)CC1 24928240 SUWSQARCZIYTLM-UHFFFAOYSA-N 412.877 3.384 0 40 HGAB COC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2cccnc2SC)CC1 25156281 NBAVDWSMKCBLES-QGZVFWFLSA-N 419.934 3.129 0 40 HGAB CC(=O)c1ccc(N2CCN(CC(=O)N[C@@H]3CCC[C@@H](C(F)(F)F)C3)CC2)cc1 26159143 SIPKVSYDKINDRQ-QZTJIDSGSA-N 411.468 3.249 0 40 HGAB O=C(CCC1CCCC1)N1CCN(Cc2nc3ccc(Cl)cc3c(=O)[nH]2)CC1 27123614 OOEGMIJFLCJTQY-UHFFFAOYSA-N 402.926 3.191 0 40 HGAB CCOc1ccccc1NC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1c[nH]c2ccccc12 28250610 CSIXSWHIQPGAGB-HXUWFJFHSA-N 415.457 3.481 0 40 HGAB CCc1c(C(=O)N2CCC(CCc3ccccc3)CC2)cnn1-c1ccc(=O)[nH]n1 32470520 LJGOHORBCGOAQI-UHFFFAOYSA-N 405.502 3.003 0 40 HGAB COc1ccc(C(=O)N2CCN(C(=O)/C=C/c3ccccc3OC(F)F)CC2)cc1 32764756 LNCZNOGAPWXRLS-DHZHZOJOSA-N 416.424 3.294 0 40 HGAB CNC(=O)[C@@H]1CCCCN1Cn1nc(-c2ccc(C(C)(C)C)cc2)n(C)c1=S 32823915 RDHUDDZHSBVCTD-KRWDZBQOSA-N 401.580 3.474 0 40 HGAB CCOc1ccc(OCCC(=O)N(CC)CC(=O)Nc2ccc(OC)cc2)cc1 33000527 JKYKMMSZDDLBFK-UHFFFAOYSA-N 400.475 3.350 0 40 HGAB O=C(CC[C@H]1NC(=O)NC1=O)NC[C@H](c1ccccc1Cl)c1c[nH]c2ccccc12 33029191 SEHKAWAOFJNVSS-DNVCBOLYSA-N 424.888 3.058 0 40 HGAB COc1cccc([C@@H]2CCN(CC(=O)Nc3cc(Cl)ccc3OC)C[C@H]2O)c1 35315895 DPVJLVOAQRPECM-PKOBYXMFSA-N 404.894 3.146 0 40 HGAB O=C(CN1CCC(Cn2cnc3ccccc32)CC1)N1CCN(c2ccccc2)CC1 36708865 XIYNRQLTRCEKON-UHFFFAOYSA-N 417.557 3.097 0 40 HGAB Cc1ccc(-c2csc3c(=O)n(Cc4cc(=O)n5ccccc5n4)cnc23)cc1 38487121 BPJHWQFVFACKAK-UHFFFAOYSA-N 400.463 3.490 0 40 HGAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)NCc2ccccc2Cl)cc1 39986093 AXBQDVZYZCALLP-UHFFFAOYSA-N 410.923 3.066 0 40 HGAB CN(C)C(=O)[C@@H]1CN(C(=O)c2ccc(COc3ccccc3F)o2)c2ccccc2O1 40131879 FYDOMXDVLAZWJV-NRFANRHFSA-N 424.428 3.494 0 40 HGAB Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)NCC(=O)NCc3ccccc3)c12 40134184 MIPKAUVNOOLIIU-UHFFFAOYSA-N 419.529 3.418 0 40 HGAB CN(c1ccsc1C(=O)N1CCOCC1)S(=O)(=O)c1ccc(C(C)(C)C)cc1 49004186 RXQVILFEIVFSBW-UHFFFAOYSA-N 422.572 3.343 0 40 HGAB COC(=O)Cn1c2c(sc1=O)[C@@H](c1ccccc1)CC(=O)N2c1ccc(F)cc1 49548963 ULFWBGGTNUCTHX-MRXNPFEDSA-N 412.442 3.422 0 40 HGAB Cc1c(Br)c2ccccc2n1CC(=O)N[C@H](C(N)=O)c1ccccc1 54000382 IRIYUNNXDXMTDS-SFHVURJKSA-N 400.276 3.055 0 40 HGAB COc1cc(C(=O)Nc2ccc3oc(=O)n(CCN(C)C)c3c2)ccc1OC(C)C 58115472 SEENIZLRWGXWIU-UHFFFAOYSA-N 413.474 3.204 0 40 HGAB Cc1c(-c2ccccc2)sc2ncnc(N3CCN(CC(=O)N4CCCC4)CC3)c12 58160082 AYYUTUBTFCJFPD-UHFFFAOYSA-N 421.570 3.411 0 40 HGAB O=C(CCC(=O)N1CCCC[C@H]1C(=O)N1CCCC1)c1ccc(Br)cc1 58201305 SDILOEKYBIAZTF-KRWDZBQOSA-N 421.335 3.416 0 40 HGAB O=C(Nc1nc(-c2ccco2)cs1)[C@H]1CCCN(c2ccc(-n3ccnc3)nn2)C1 62022885 GHUDJPZLMUPWGS-AWEZNQCLSA-N 421.486 3.234 0 40 HGAB COc1cccc(NC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)c3ccccc3O2)c1 64985276 FNRXKRPSSPBIPT-OAQYLSRUSA-N 424.478 3.290 0 40 HGAB Cc1ccccc1NC(=O)Cn1c(-c2ccc(Cl)cc2)nc(C)c(CCO)c1=O 67300533 CDWJLLNIBUOBAI-UHFFFAOYSA-N 411.889 3.354 0 40 HGAB O=C1CC[C@H]2CO[C@H](c3ccccc3)N3C(=O)CC[C@@H]3CO[C@@H](c3ccccc3)N12 69949942 IYOXEMKPHBGTAR-GKIBHXGMSA-N 406.482 3.413 0 40 HGAB CN1C(=O)N(CC(=O)NCCc2c[nH]c3ccc(Cl)cc23)C(=O)C12CCCCC2 71286062 PNHOEIAAFFKNFD-UHFFFAOYSA-N 416.909 3.077 0 40 HGAB COc1cccc(C(=O)N2CCN(C)C(=O)[C@H]2Cc2cccc(-c3cccnc3)c2)c1 72351725 JFMCVCWZRQERSZ-HSZRJFAPSA-N 415.493 3.283 0 40 HGAB CCCCCCN(CCN1CCOCC1)C(=O)Nc1ccccc1SCC(N)=O 78757764 PGXADSHTGNEZDM-UHFFFAOYSA-N 422.595 3.010 0 40 HGAB O=C(Nc1cncnc1N1CCCC1)c1cc(F)ccc1I 79110757 RYWXHAFTJOILAI-UHFFFAOYSA-N 412.206 3.073 0 40 HGAB Cc1cc(C(=O)CN2CCC(NC(=O)c3ccccc3)CC2)c(C)n1C[C@@H]1CCCO1 84079633 AUIKJZXWOUUSMP-QFIPXVFZSA-N 423.557 3.361 0 40 HGAB O=C(c1ccc(N2CCN(CCOc3ccc(Cl)cc3)CC2)nc1)N1CCCC1 84414960 ZNNNEIALZWQVBT-UHFFFAOYSA-N 414.937 3.172 0 40 HGAB O=c1[nH]c(CN2CCN(c3ccccn3)CC2)nc2scc(-c3ccccc3)c12 84564661 MPOYOOJFBCOASW-UHFFFAOYSA-N 403.511 3.369 0 40 HGAB Cc1noc2ncc(C(=O)N3CCCCC[C@@H]3c3noc(-c4cnn(C)c4)n3)cc12 96001915 FBIFUIUQTMYVDO-MRXNPFEDSA-N 407.434 3.072 0 40 HGAB COC(=O)c1nc(NC(=O)CCc2nc(-c3ccncc3)no2)sc1CC(C)C 96116993 WFQYQTSPUJYPPK-UHFFFAOYSA-N 415.475 3.145 0 40 HGAB O=C(NC[C@H]1CCCO1)c1nc(-c2cn(Cc3ccccc3)cn2)n2ccccc12 96155000 RWXKQPLNKCOYFX-GOSISDBHSA-N 401.470 3.155 0 40 HGAB CCOc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)N2CCCN2[C@@H]3c2ccc(Cl)cc2)cc1 100753213 FKESPDMCVYWJEE-ZCNNSNEGSA-N 411.889 3.274 0 40 HGAB C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O 102085790 FEYUASDLODHQMK-QDKSSAKLSA-N 404.388 3.086 0 40 HGAB C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(Cl)cc1)[C@@H]1CCCO1 106860596 JFRPREUQBBOJDW-YSSFQJQWSA-N 400.906 3.365 0 40 HGAB COc1ccc(C(=O)NC(=S)Nc2ccccc2N2CCN(C)CC2)cc1Cl 107564153 ZPKSSBFNQNLNNT-UHFFFAOYSA-N 418.950 3.227 0 40 HGAB O=C(NC1CCN(c2nc(-c3cccnc3)cs2)CC1)c1ccc2c(c1)OCO2 206985354 NEFNCDHZMLSHPA-UHFFFAOYSA-N 408.483 3.333 0 40 HGAB COc1cccc(N([C@@H](C)C(=O)Nc2ccc(F)c(Cl)c2)S(C)(=O)=O)c1 220168025 SAZMMIBSFWKQOE-NSHDSACASA-N 400.859 3.281 0 40 HGAB COc1ccc(-c2noc(CN(C)C(=O)c3ccc(Cn4ccnc4)cc3)n2)cc1 222926360 PSYIHCYZUTWCBM-UHFFFAOYSA-N 403.442 3.262 0 40 HGAB COC(=O)CSc1nnc(NC(=O)COc2ccc(Cl)cc2Cl)s1 224759065 GNSPXLXOGGHCFJ-UHFFFAOYSA-N 408.288 3.128 0 40 HGAB O=S(=O)(Cc1cccc(Br)c1)Nc1ccc(N2CCOCC2)cc1 225015568 ABHSFUYPMAHPJU-UHFFFAOYSA-N 411.321 3.228 0 40 HGAB CC(C)C(=O)Nc1nnc(S(=O)(=O)NCCCc2ccc(C(C)C)cc2)s1 225676084 SZUTYXOMYCVPGU-UHFFFAOYSA-N 410.565 3.167 0 40 HGAB O=C(CCc1nc(-c2ccc(I)cc2)no1)NC1CCCC1 225837395 ZQLLYFAHYXGTMQ-UHFFFAOYSA-N 411.243 3.333 0 40 HGAB O=C1N[C@]2(C[C@H]3CC[C@H]2C[C@@H]3C(=O)N2CC[C@H](O)[C@H]3CCCC[C@@H]32)Oc2ccccc21 247955819 NIBVGAOOZUMJJX-MTUVODTHSA-N 424.541 3.093 0 40 HGAB CN1C[C@H](C(=O)Nc2ccc(F)cc2)C[C@H]1C1CCN(C(=O)c2cccnc2)CC1 248090252 CAJYOPVPQBDRQG-NQIIRXRSSA-N 410.493 3.032 0 40 HGAB C[C@H](NC(=O)C(=O)NC[C@@](O)(c1ccsc1)c1cccs1)c1ccccc1 253399763 JXFZUTQDKVMCBG-VBKZILBWSA-N 400.525 3.039 0 40 HGAB CC1(C)CN(C(=O)c2ccccc2F)C[C@@H]2CN(C(=O)CCc3ccccc3)CCN21 253400145 KUFXSLYUTKAREP-FQEVSTJZSA-N 423.532 3.206 0 40 HGAB biogenic,in-vitro Cc1ncncc1C(=O)N(C)[C@@H]1CC[C@@]2(C)C[C@H](c3ccccc3)C[C@](C)(O2)[C@H]1O 257234969 GVUZCFRRMZIZHV-OQCQCTNUSA-N 409.530 3.492 0 40 HGAB COc1ccc(F)cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc2cccc(F)c2)C1 408713525 FVXLGYOBSXNWGL-ZDUSSCGKSA-N 410.442 3.013 0 40 HGAB Cc1ccc(N([C@@H](C)C(=O)NCCSc2ccccc2)S(C)(=O)=O)cc1C 409411798 ZUVURARRDVAJHN-KRWDZBQOSA-N 406.573 3.366 0 40 HGAB CC(C)c1ccc(-n2cc(O)c(C(=O)N[C@H]3CCN(c4ncccc4F)C3)n2)cc1 532286089 UVCGBXACMILMLQ-INIZCTEOSA-N 409.465 3.244 0 40 HGAB CC1(C)[C@@H]2C[C@@H]1CC=C2COC[C@@H](O)CN[C@@H](CO)c1ccc(Br)cc1 542911229 YKKDKPDLCCHKMH-FFGOWVMKSA-N 424.379 3.442 0 40 HGAB COc1ccc(Br)cc1S(=O)(=O)n1nnc2cc(Cl)ccc21 1775974406 QLHJIUFQJDBJDU-UHFFFAOYSA-N 402.657 3.093 0 40 HGAB CC(C)(C)c1ccc(OC[C@H]2CCN(C(=O)C[C@H]3COc4ccccc4O3)C2)nn1 1888879504 UZSNUDCZHJTIIX-IRXDYDNUSA-N 411.502 3.232 0 40 HGAB CC(C)c1ccc(CN2CCC[C@@]3(CC(C(=O)NCCCn4ccnc4)=NO3)C2)cc1 2056226241 NTHSOXPFCPWQTR-XMMPIXPASA-N 423.561 3.324 0 40 HGAB O=C(Nc1cc(N2CCCCC2)ncn1)NC1(C(F)(F)F)Oc2ccccc2O1 646699 MJMJSSRREHEGIQ-UHFFFAOYSA-N 409.368 3.276 0 40 HGAB CSc1cccc(NC(=O)CSc2nnc(COc3ccccc3)n2N)c1 687606 VIFOCFVNNDVZFO-UHFFFAOYSA-N 401.517 3.024 0 40 HGAB COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=C3SCCC(=O)N32)cc1OC 798933 WMWLPURSDFYWTQ-SFHVURJKSA-N 404.488 3.306 0 40 HGAB CCc1ccccc1N(CC(=O)NC[C@H]1CCCO1)S(=O)(=O)c1ccc(C)cc1 1462309 PKAGFKKXXGVWFM-LJQANCHMSA-N 416.543 3.048 0 40 HGAB COC(=O)CSc1nnc2c3c4c(sc3nc(SC)n12)CO[C@@H](C(C)C)C4 1824492 SYDRLZDHHYPKGZ-SNVBAGLBSA-N 424.573 3.423 0 40 HGAB Cc1ccc(CNC(=O)/C=C/c2ccc(S(=O)(=O)NCc3ccco3)cc2)cc1 3222944 BAKVWBZPWNJAMM-JLHYYAGUSA-N 410.495 3.396 0 40 HGAB aggregator COc1ccc(NC(=O)CSc2ncnc3c2nnn3-c2ccc(C)cc2)cc1 4166629 FPFHXSLCYAXUGQ-UHFFFAOYSA-N 406.471 3.258 0 40 HGAB CCc1ccc(OCC(=O)N(Cc2cccc(Cl)c2)[C@@H]2CCS(=O)(=O)C2)cc1 4183118 RYPKSDYBSUXDBB-LJQANCHMSA-N 421.946 3.497 0 40 HGAB CCN1C(=O)[C@@](O)(CC(=O)c2cccc(OC)c2)c2cc(Br)ccc21 4555032 DQBSYVDZLNUMAC-LJQANCHMSA-N 404.260 3.285 0 40 HGAB C[C@@H](CNC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)OC12CC3CC(CC(C3)C1)C2 4687151 WXRKJXBTAVRQIP-BZSISCHUSA-N 420.575 3.041 0 40 HGAB COc1ccc(C(=O)[C@@H](C)[C@@H]2[C@H](C(=O)NCc3ccccc3)C(=O)OC2(C)C)cc1 4698350 KKFUILHAZBACCO-CWFSZBLJSA-N 409.482 3.398 0 40 HGAB COc1ccccc1-n1c(SCC(=O)NC2CCCC2)nnc1-c1ccncc1 4854620 SWMRDCDTKHZJPL-UHFFFAOYSA-N 409.515 3.489 0 40 HGAB CC(C)(C)OC(=O)N[C@H](CCCNC(=O)OCc1ccccc1Cl)C(=O)O 6363871 QOWSQCSRXFQXKJ-CQSZACIVSA-N 400.859 3.324 0 40 HGAB CCOc1ccc(OCC(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)cc1 6628096 TULUYVUKITZLIF-UHFFFAOYSA-N 412.895 3.007 0 40 HGAB CCc1ccc(NC(=O)COC(=O)CCS(=O)(=O)c2ccc(C)c(C)c2)cc1 7940050 MEARASJWZJJPSZ-UHFFFAOYSA-N 403.500 3.212 0 40 HGAB CC[C@@]1(c2ccc(C)cc2)NC(=O)N([C@H](C)C(=O)Nc2ccc(NC(C)=O)cc2)C1=O 8157394 SMTCETWMXIQQBF-CMJOXMDJSA-N 422.485 3.138 0 40 HGAB CCCN1C(=O)CCc2cc(NS(=O)(=O)c3cc(OC)ccc3OC)ccc21 8840534 YACYVSLWYHQKRY-UHFFFAOYSA-N 404.488 3.194 0 40 HGAB CCCNc1nnc(SCC(=O)NCC(=O)Nc2c(C)cc(C)cc2C)s1 9315071 VZYLPOKMJYKKMG-UHFFFAOYSA-N 407.565 3.132 0 40 HGAB COc1ccccc1[C@H](C)NC(=O)c1ccc2c(=O)n(-c3ccccc3)c(=O)[nH]c2c1 9337391 NNNNGHDKWDREKO-HNNXBMFYSA-N 415.449 3.179 0 40 HGAB COc1ccc2[nH]c3c(N4CCN(C(=O)c5ccc(C)cc5)CC4)ncnc3c2c1 9476958 AVHDWFRYKQSKMJ-UHFFFAOYSA-N 401.470 3.391 0 40 HGAB COCCn1c(SCC(=O)Nc2ccccc2C(=O)NC2CC2)nc2ccccc21 9672201 FNPNLJSMMRZPAF-UHFFFAOYSA-N 424.526 3.306 0 40 HGAB CNc1nc(N2CCN(c3ccccc3F)CC2)nc2c1C(=O)C[C@H](c1ccco1)C2 9937799 OQJRFMMCZBKDCX-OAHLLOKOSA-N 421.476 3.490 0 40 HGAB C[C@H](Sc1nnc(-c2ccncc2)n1Cc1ccccc1)C(=O)NC[C@H]1CCCO1 10213491 DFGGNMPKDSSYKF-QFBILLFUSA-N 423.542 3.164 0 40 HGAB O=C(NCCCN1C(=O)NC2(CCCC2)C1=O)C1c2ccccc2Oc2ccccc21 10425866 LSVREUUXMYPDKO-UHFFFAOYSA-N 419.481 3.295 0 40 HGAB O=C(CSc1nnnn1C1CCCC1)Nc1ccnn1Cc1cccc(Cl)c1 11265121 JFBPBNUBQIVQOW-UHFFFAOYSA-N 417.926 3.417 0 40 HGAB CCOC(=O)C1=C(C)N=c2s/c(=C\C=C/c3ccccc3)c(=O)n2[C@H]1c1ccco1 11614223 MNOTYIZPMXVOMY-IVSMPBOBSA-N 420.490 3.056 0 40 HGAB O=S(=O)(c1cccc(F)c1)N1CCC(O)(Cn2ccc3nc(Cl)ccc32)CC1 12182286 NZXXTFXLEYRJNL-UHFFFAOYSA-N 423.897 3.045 0 40 HGAB COc1ncc(-c2nc(N3CCSCC3)ncc2-c2ccsc2)c(OC)n1 12327583 YZYXPTKYCATCTN-UHFFFAOYSA-N 401.517 3.233 0 40 HGAB COc1ccc(OCC(=O)N2CCC(c3nc4ccccc4cc3C(N)=O)CC2)cc1 12328689 GEZFNGQKNDQXJZ-UHFFFAOYSA-N 419.481 3.127 0 40 HGAB C[C@H](OC(=O)CCCNC(=O)c1ccc(Cl)cc1)C(=O)N(C)Cc1ccccc1 12937944 LQNJVYNPMMUPSF-INIZCTEOSA-N 416.905 3.440 0 40 HGAB CCN(CC)[C@H](CNC(=O)c1cnc2ccc(C)cn2c1=O)c1ccccc1Cl 12952434 BLQXTWNJNVESSK-LJQANCHMSA-N 412.921 3.469 0 40 HGAB O=C(O)CNC(=O)c1ccc(NC(=O)c2cccc(OCc3ccc(F)cc3)c2)cc1 13258417 HPWUGXOBCHTPKD-UHFFFAOYSA-N 422.412 3.471 0 40 HGAB C[C@@H](Oc1ccc(Br)cc1Cl)C(=O)N1CCC2(CC1)OCCO2 13325383 RZLCZSQDLRDUBC-LLVKDONJSA-N 404.688 3.235 0 40 HGAB COc1ccc(Cl)cc1N([C@@H](C)C(=O)N1CCc2ccccc21)S(C)(=O)=O 13632334 QUONHSSYYHCCBY-ZDUSSCGKSA-N 408.907 3.092 0 40 HGAB O=C(c1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCC[C@@H](C(F)(F)F)C1 14184685 CJONVBLKYRENCK-OAHLLOKOSA-N 404.454 3.276 0 40 HGAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 14399391 HTQDADNKMNHADJ-HXUWFJFHSA-N 418.515 3.276 0 40 HGAB CC(C)(C)NS(=O)(=O)c1ccc2nc(NC(=O)CN3CCCCCC3)sc2c1 16740527 DBQXCEAZAWQAPB-UHFFFAOYSA-N 424.592 3.188 0 40 HGAB Cc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N3C[C@H](C)O[C@H](C)C3)c2)cc1 17327129 SOIMIRHOXRFLET-CALCHBBNSA-N 402.516 3.354 0 40 HGAB O=C(Nc1ccccc1)[C@@H]1CCCN(C(=O)C[C@H]2Sc3ccccc3NC2=O)C1 17824698 NLHGUVXVGUPLHH-DNVCBOLYSA-N 409.511 3.367 0 40 HGAB Cc1cc(-c2cn(C)nc2[C@H]2CCCN2C(=O)c2cc(C(F)(F)F)n(C)n2)on1 19121514 VZQAFXYLECYATE-CYBMUJFWSA-N 408.384 3.113 0 40 HGAB COc1ccc(OC)c(CN2CCC[C@@H](c3nc(-c4ccncc4)cc(=O)[nH]3)C2)c1 19551541 YUMNXGVSSAMUTK-QGZVFWFLSA-N 406.486 3.229 0 40 HGAB Cc1cc(C(=O)N(CCN(C)C)Cc2ccc3c(c2)OCO3)c2cnn(C(C)C)c2n1 19569444 VOYJSAGHVPSONB-UHFFFAOYSA-N 423.517 3.253 0 40 HGAB Cc1cc(C)c2[nH]c(C)c(CC(=O)NCCS(=O)(=O)c3ccc(F)cc3)c2c1 19715604 JDAPKTOYKPWGHU-UHFFFAOYSA-N 402.491 3.365 0 40 HGAB CCN1CCN(C(=O)c2cnn(-c3ccccc3)c2NC(=O)c2ccc(F)cc2)CC1 19908700 SNNAKXGLZAHRDT-UHFFFAOYSA-N 421.476 3.041 0 40 HGAB CC(=O)Nc1cccc(NC(=O)C2CCN(c3ccc4nnc(C(C)C)n4n3)CC2)c1 20728333 LYDCUPQOQWBOLB-UHFFFAOYSA-N 421.505 3.061 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(CCC(=O)N(C)Cc2ccc(OC)cc2)cc1 20919897 QTLIAGRMGXPIIN-UHFFFAOYSA-N 418.559 3.317 0 40 HGAB CCOC(=O)CSc1nnc(NC(=O)c2ccc(Br)s2)s1 20989014 JUFBUPVXPWNQJS-UHFFFAOYSA-N 408.324 3.270 0 40 HGAB O=C(CSc1nc(-c2ccc(Cl)cc2)nc2cc(=O)[nH]n12)Oc1ccccc1 21885404 KWSNTZWPRDSHPV-UHFFFAOYSA-N 412.858 3.436 0 40 HGAB c1ccc(-n2cc(CNCCN3CCCC3)c(-c3ccc4c(c3)OCCO4)n2)cc1 22025349 KUKHPIPRMFRZSC-UHFFFAOYSA-N 404.514 3.496 0 40 HGAB CCC[C@H](C)NC(=O)COc1ccc(N(Cc2ccc(F)cc2)S(C)(=O)=O)cc1 22232787 AXHUQVMLUYVNBW-INIZCTEOSA-N 422.522 3.476 0 40 HGAB Cc1cccc(C)c1OCc1nnc(SCC(=O)N[C@H](C)c2cccs2)n1N 24218008 YOWZSUIIKFOFOY-CQSZACIVSA-N 417.560 3.219 0 40 HGAB O=C(Nc1ccc(S(=O)(=O)NCc2ccco2)cc1)c1cnn(-c2ccccc2)c1 27600044 WBWQFTYWSSCSTQ-UHFFFAOYSA-N 422.466 3.196 0 40 HGAB CCc1noc(CSc2nnc(-c3cccc(S(=O)(=O)N(CC)CC)c3)o2)n1 29138901 PXIZWDALWOIORK-UHFFFAOYSA-N 423.520 3.005 0 40 HGAB CS(=O)(=O)N(CC(=O)NCc1ccc(F)cc1)c1ccc(Cl)c(Cl)c1 30873626 FHFXSEWXVMSBEZ-UHFFFAOYSA-N 405.278 3.215 0 40 HGAB O=C(Cc1ccc2c(c1)CCCC2)N1CCC(NS(=O)(=O)c2cccs2)CC1 30997472 UGNAFUIFABQCPM-UHFFFAOYSA-N 418.584 3.139 0 40 HGAB CC(=O)Nc1ccc2[nH]cc([C@H](C(=O)O)N3CCN(Cc4cccs4)CC3)c2c1 32095141 LGSZVSYYZGKEPP-HXUWFJFHSA-N 412.515 3.131 0 40 HGAB COc1cccc(Nc2nc(N3CCN(c4ccccc4)CC3)c3cnn(C)c3n2)c1 32096785 OUNPIDMSTZJEMP-UHFFFAOYSA-N 415.501 3.442 0 40 HGAB COc1cccc(NC(=O)c2cc(-c3cccs3)n([C@H]3CCS(=O)(=O)C3)n2)c1 33325456 FCWPOSRDQCAGHJ-AWEZNQCLSA-N 417.512 3.232 0 40 HGAB CCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(CCOC)CCC3)cc1F 35588281 KKDHEJFUMVCNGP-UHFFFAOYSA-N 408.495 3.424 0 40 HGAB CC(=O)Nc1ccc(OC(=O)c2cn(C)nc2-c2ccc3c(c2)OCCCO3)cc1 39969508 PUYNZUICSSAAKY-UHFFFAOYSA-N 407.426 3.426 0 40 HGAB Cc1nc(NC(=O)CCCN2C(=O)c3ccccc3N3C(=O)CC[C@]23C)sc1C 40073695 QMNPXVAPWBOSBQ-OAQYLSRUSA-N 412.515 3.478 0 40 HGAB CCc1ccc(-c2ccc(=O)n(CCC(=O)NCc3ccc(OC)cc3OC)n2)cc1 41253971 CZPQIZYIRVADPY-UHFFFAOYSA-N 421.497 3.196 0 40 HGAB CCOC(=O)c1ccc(NC(=O)[C@H](C)n2nc(-c3ccc(OC)cc3)ccc2=O)cc1 42380960 DZHIFNHOQNSSOR-HNNXBMFYSA-N 421.453 3.295 0 40 HGAB C[C@@H](NC(=O)c1ccc(S(=O)(=O)NCCc2cccs2)cc1)c1cccnc1 45290337 RCBOCHSQMYEUCI-OAHLLOKOSA-N 415.540 3.155 0 40 HGAB O=C(Cc1csc(NC(=O)c2ccccc2F)n1)NC[C@@H]1Cc2ccccc2O1 46579000 NQAVWKPQVSQILS-HNNXBMFYSA-N 411.458 3.197 0 40 HGAB CCn1nnc2cc(C(=O)N[C@@H]3CC4(CCN(C)CC4)Oc4ccccc43)ccc21 48303909 PRZRWTZZCDARMY-LJQANCHMSA-N 405.502 3.169 0 40 HGAB CC[C@]1(c2ccc(Cl)cc2)NC(=O)N(CN(C)CCOc2ccccc2)C1=O 49622750 NCSARKOHCLLBTR-OAQYLSRUSA-N 401.894 3.465 0 40 HGAB CC(C)(C)C(=O)NC(=S)Nc1ccc(N2CCN(C(=O)C(C)(C)C)CC2)cc1 57316612 FBQLBXYFARBQSJ-UHFFFAOYSA-N 404.580 3.240 0 40 HGAB CCCN(CCC)C(=O)Cn1c(=O)n(CCc2cccs2)c(=O)c2ccccc21 57473218 PFDIOCWXPRYFOP-UHFFFAOYSA-N 413.543 3.116 0 40 HGAB COc1cc(CNC[C@@H](CN(C)C)[C@H](O)c2ccccc2)cc(OC)c1OC(F)F 58050991 NFTJQPXUGMNBKM-FXAWDEMLSA-N 424.488 3.306 0 40 HGAB O=C(Nc1ccc(F)cc1)C1(C(=O)Nc2cccc(OCCn3cccn3)c2)CC1 58078409 VNADSNCDNIJCFD-UHFFFAOYSA-N 408.433 3.459 0 40 HGAB CCN(CC)CCNC(=O)c1ccc(NC(=S)Nc2ccc3c(c2)OCO3)cc1 71761468 BNKYUTATXHSJOX-UHFFFAOYSA-N 414.531 3.296 0 40 HGAB CCOC(=O)c1cnn(-c2ccc(NC(=O)N[C@@H]3CCN4CCCC[C@H]34)cc2)c1C 72282587 JXBGZMMNONHKPX-WOJBJXKFSA-N 411.506 3.106 0 40 HGAB COc1ccccc1CCC(=O)N[C@@H]1CCN(Cc2noc(-c3ccccc3)n2)C1 77100819 GCYVZWLKWMNJMZ-LJQANCHMSA-N 406.486 3.069 0 40 HGAB O=C(N[C@@H]1[C@H]2CCc3ccccc3[C@H]21)c1ccc(S(=O)(=O)Nc2ccncc2)cc1 89858178 JLLAFYWNEHASGN-BHDDXSALSA-N 419.506 3.341 0 40 HGAB O=C(C[C@@H]1CCS(=O)(=O)C1)NC1(c2noc(C3CCCC3)n2)CCCCCC1 95431302 XSPCCGMKUQQEIL-HNNXBMFYSA-N 409.552 3.218 0 40 HGAB CC(C)CCNS(=O)(=O)c1ccc(OCC(=O)N(C)Cc2cccs2)cc1 95446961 FCOPWBDBYQVYCC-UHFFFAOYSA-N 410.561 3.110 0 40 HGAB COCC(=O)N1CCCc2ccc(NC(=O)C[C@H](CC(=O)O)c3cccs3)cc21 96024588 UKRDXZDXBJIUFF-OAHLLOKOSA-N 416.499 3.261 0 40 HGAB CSc1ccc(/C=C2/N=C(c3cccc(S(=O)(=O)N(C)C)c3)OC2=O)cc1 96814892 DVUNOECLPMNZRB-GZTJUZNOSA-N 402.497 3.003 0 40 HGAB CC(=O)N1CCc2nc3cc([C@H]4CCCCN4Cc4cccc(F)c4)nn3c(O)c2C1 100242996 PCYCETVCOLHGGX-OAQYLSRUSA-N 423.492 3.206 0 40 HGAB CCOc1ccc(S(=O)(=O)N2c3ccccc3[C@@H](C(N)=O)C[C@H]2C)cc1OCC 104209111 CLYNNKKNOLXJBT-PBHICJAKSA-N 418.515 3.040 0 40 HGAB CC(C)=C1[C@H]2CC[C@@H]1[C@@H]1C(=O)N(NC(=O)COc3ccc(C(C)(C)C)cc3)C(=O)[C@@H]21 169301527 MLRLTPLFYJYRNB-JWWGGVBKSA-N 410.514 3.372 0 40 HGAB COc1ccc(C)cc1N([C@H](C)C(=O)NCc1ccc(Cl)cc1)S(C)(=O)=O 220331457 KMXRSUAXNVRXAV-CQSZACIVSA-N 410.923 3.128 0 40 HGAB CCOc1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2OC)cc1C 223408022 HYNUAHMLVNKEGG-UHFFFAOYSA-N 418.515 3.439 0 40 HGAB O=C(O)c1cccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCCO)o2)c1 223631528 XJGOBEMPWVNIIS-VQTJNVASSA-N 423.494 3.395 0 40 HGAB Cc1cccc(OCCNC(=O)CN(c2cccc3ccccc23)S(C)(=O)=O)c1 223699086 PMLRYJZRBUQZRZ-UHFFFAOYSA-N 412.511 3.109 0 40 HGAB Cc1cccc(OCCNC(=O)CCCN(c2ccc(Cl)cc2)S(C)(=O)=O)c1 224632408 FHOLDUHKDMQTMF-UHFFFAOYSA-N 424.950 3.390 0 40 HGAB C[C@@H](CC(C)(C)c1ccccc1)NC(=O)CN(Cc1ccccc1F)S(C)(=O)=O 225206556 FZTKYHMVIFUZLV-KRWDZBQOSA-N 420.550 3.460 0 40 HGAB Cc1nc(-c2ccc(S(=O)(=O)N[C@H](c3cccnc3)C3CCOCC3)cc2)co1 225625347 FWBMEOIRJHNHRF-NRFANRHFSA-N 413.499 3.491 0 40 HGAB CCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCC(=O)N2CCOCC2)cc1 225744578 MVYAVQMOICPLCL-QFIPXVFZSA-N 406.523 3.238 0 40 HGAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NS(=O)(=O)c1nnc(NC(=O)C(C)C)s1 225808666 GREPERCKFXVVSX-CYBMUJFWSA-N 424.548 3.022 0 40 HGAB COC(=O)c1cccc(S(=O)(=O)N[C@H]2CC(C)(C)Oc3ccc(OC)cc32)c1 225824000 RWLQNNKOQQDNKR-KRWDZBQOSA-N 405.472 3.063 0 40 HGAB O=C(CN(C1CCCCC1)S(=O)(=O)c1ccccc1)N1CCOc2ccccc21 225998041 DOWWUUFABXPVNF-UHFFFAOYSA-N 414.527 3.436 0 40 HGAB COc1ccc([C@@H]2OCC[C@]3(NC(C)=O)[C@H]4C[C@@H](C[C@@H]23)C(C)(C)N[C@@H]4C)cc1OC 257230765 GDVJLBNKKVSMEL-HFUIWYEOSA-N 416.562 3.453 0 40 HGAB CCCNC(=O)COc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1 408550826 FNLJEJSIEUBCGQ-UHFFFAOYSA-N 416.421 3.411 0 40 HGAB O=C(N[C@H]1C(=O)N/[N+](=C\c2ccc(Cl)cc2)[C@@H]1c1ccccc1)c1ccccc1 409052736 HXWOXDUAHMBITL-MKTJXXHISA-O 404.877 3.356 0 40 HGAB COc1ccc(NC(=O)c2cc3c(cc2F)NC(=O)CC3)cc1N1CCCCC1=O 532261863 SNYWKGIQEVGRDC-UHFFFAOYSA-N 411.433 3.488 0 40 HGAB CC[C@](NC(=O)COc1ccc2ccccc2c1Br)(C(N)=O)C(C)C 541939481 QCMIJWPLVUVXEL-LJQANCHMSA-N 407.308 3.387 0 40 HGAB CC1(C)CN([C@H](CNC(=O)c2cnc3n2CCCC3)c2ccc(Cl)cc2)CCO1 551760857 ASEUASXVKLKKBQ-GOSISDBHSA-N 416.953 3.455 0 40 HGAB COc1cc2c(cc1OC)[C@@H](CC(=O)O)N(C(=O)c1ccc3ccccc3n1)CC2 558146173 GXDPTXWUMYMOMO-LJQANCHMSA-N 406.438 3.466 0 40 HGAB CS(=O)(=O)N1CCCC[C@H]2CN(C[C@]3(O)CC[C@@H](c4ccccc4)CC3)CC[C@H]21 585285392 YDZNDZZCOCJCSG-MYDTUXCISA-N 420.619 3.211 0 40 HGAB COCC(=O)N1CCCCCCCNCc2cc(-c3cccc(C(N)=O)c3)ccc21 643575632 UQJQSHQQZLGFLV-UHFFFAOYSA-N 409.530 3.486 0 40 HGAB COC(=O)[C@@H](CC(=O)Nc1ccc(C)cc1)C(=O)C(=O)Nc1ccccc1C(C)C 1624507 LIWDZMHYWVWDLL-SFHVURJKSA-N 410.470 3.444 0 40 HGAB CCSCC[C@@H](NC(=O)Cc1c(C)c2cc3c(C)coc3cc2oc1=O)C(=O)O 2122001 VHATXJKTYVRTBY-MRXNPFEDSA-N 417.483 3.411 0 40 HGAB biogenic COc1ccc(CCNC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)cc1 2630804 UVEWHHZPAIZQSS-UHFFFAOYSA-N 413.477 3.426 0 40 HGAB COc1ccc(CCNC(=O)[C@@H]2CC(=O)N(c3ccc(F)c(Cl)c3)C2)cc1OC 2954396 VOQHCDNZQBHSSO-CQSZACIVSA-N 420.868 3.208 0 40 HGAB CN(C(=O)CN1C(=O)NC2(CCCCC2)C1=O)C(c1ccccc1)c1ccccc1 3318177 FKGVIARTYHZNBT-UHFFFAOYSA-N 405.498 3.489 0 40 HGAB CCCOc1ccc(C(=O)N2CCN(S(=O)(=O)c3cc(C)ccc3C)CC2)cc1 3405579 HNNRAHVPYJHFMP-UHFFFAOYSA-N 416.543 3.239 0 40 HGAB O=C1N(c2cccc(Br)c2)[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1 4393423 BRFOYTWRAVZXFK-JKSUJKDBSA-N 407.289 3.061 0 40 HGAB CCN1CCN(c2ccc(C(=O)OC)cc2NC(=O)Cc2ccc(Cl)cc2)CC1 4711703 AWXGLLJLHXMSIQ-UHFFFAOYSA-N 415.921 3.450 0 40 HGAB CN(CC(=O)Nc1ccccc1Cl)C(=O)CSc1nncn1-c1ccccc1 4835237 GAYYZRQSFRUUJW-UHFFFAOYSA-N 415.906 3.110 0 40 HGAB Cc1cc(NC(=O)CCC(=O)N(c2ccccc2)[C@H](C)C(=O)NC2CCCC2)no1 4933554 LLBFOAQKHRIDLS-MRXNPFEDSA-N 412.490 3.182 0 40 HGAB O=C(CCCCCN1C(=O)[C@@H]2Cc3ccccc3CN2C1=O)NCc1ccccc1 5425656 SXDSZUIAVLTMNQ-NRFANRHFSA-N 405.498 3.252 0 40 HGAB CCOc1cccc(N2C(=O)NC(=O)/C(=C\c3cn(CC#N)c4ccccc34)C2=O)c1 6246968 DQMQOQAZKNCFSG-XDHOZWIPSA-N 414.421 3.230 0 40 HGAB Cc1ccc2c(c1)c1c(n2C[C@@H](O)CN2C(=O)c3ccccc3C2=O)C(=O)CCC1 6393529 FSRHTLMIPRHLER-OAHLLOKOSA-N 402.450 3.126 0 40 HGAB Cc1ccc(NC(=O)Cc2nnc(SCC(=O)N[C@@H]3CCCC[C@@H]3C)n2C)cc1 6476935 DEGPXNCASUOOEI-DOTOQJQBSA-N 415.563 3.092 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)CN2CCc3ccccc32)c1 6549268 JVPNCHFVXMDRPX-UHFFFAOYSA-N 401.532 3.027 0 40 HGAB C[C@@H](OC(=O)CNC(=O)c1cccs1)C(=O)Nc1nc(-c2ccccc2)cs1 6942434 ZFMSMHFNGFFGHA-GFCCVEGCSA-N 415.496 3.172 0 40 HGAB Cc1nn(Cc2ccccc2)c(C)c1C(=O)OCC(=O)c1ccc2c(c1)OCCO2 6947317 XDAJXJBHOHKARH-UHFFFAOYSA-N 406.438 3.359 0 40 HGAB C[C@@H](c1ccccc1)N1C[C@@H](C(=O)OCC(=O)Nc2cccc(Cl)c2)CC1=O 7232400 VKCRKRFBZPDDJF-HOCLYGCPSA-N 400.862 3.431 0 40 HGAB O=C(CN1C[C@H](C(=O)N2CCCCC2)Oc2ccccc21)Nc1ccc(F)c(F)c1 7251790 IAAMKMJOYLFECZ-HXUWFJFHSA-N 415.440 3.183 0 40 HGAB O=C(CN1C[C@@H](C(=O)N2CCCCC2)Oc2ccccc21)Nc1ccc(F)c(F)c1 7251794 IAAMKMJOYLFECZ-FQEVSTJZSA-N 415.440 3.183 0 40 HGAB COc1ccc(OC)c([C@@H]2N=C(Nc3ccccc3OC)Nc3nc(C)cc(=O)n32)c1 7499375 VZESAQOAZBIKBH-HXUWFJFHSA-N 421.457 3.018 0 40 HGAB CCOc1cc(CNCCSc2nnnn2C)ccc1OCc1cccs1 7523774 WIERJRIGHVDHGL-UHFFFAOYSA-N 405.549 3.131 0 40 HGAB COc1ccc(OC)c(NC(=O)CCCN(c2ccc(C)cc2)S(C)(=O)=O)c1 8041263 XAFRICBINOXRIL-UHFFFAOYSA-N 406.504 3.197 0 40 HGAB CNC(=O)c1ccc(NC(=O)[C@@H](CC(C)C)NC(=O)c2ccc(Cl)cc2)cc1 8327110 QEPHBBQUDLMAAI-GOSISDBHSA-N 401.894 3.483 0 40 HGAB COc1ccc(S(=O)(=O)Nc2ccc3c(c2)CN(C(=O)C(C)C)CC3)cc1F 8977083 ONXAZEWYHQEROC-UHFFFAOYSA-N 406.479 3.176 0 40 HGAB COc1ccccc1N1CCN(c2ncnc3c2cnn3-c2ccccc2C)CC1 9573688 WCYMZGBRFVGEJB-UHFFFAOYSA-N 400.486 3.459 0 40 HGAB O=S(=O)(Nc1cccc(S(=O)(=O)NC2CC2)c1)c1cc(Cl)cc(Cl)c1 10518324 IUKPWYQMDHAAMJ-UHFFFAOYSA-N 421.327 3.235 0 40 HGAB O=C(CCc1c[nH]c2ccccc12)N1CCC(NS(=O)(=O)c2ccccc2)CC1 11155230 CGSZFWATYQENCK-UHFFFAOYSA-N 411.527 3.070 0 40 HGAB NC(=O)CCN(Cc1ccccc1)C(=O)CSc1nc2ccccc2n1C(F)F 11279971 LBPOJJQILRDUMD-UHFFFAOYSA-N 418.469 3.428 0 40 HGAB Cc1ccc2c(c1)C(=O)N(CC(=O)N1[C@@H](C)CCC[C@@H]1C)CC1(CCOCC1)O2 12086897 MTIXEKMDFWSGLE-ROUUACIJSA-N 400.519 3.168 0 40 HGAB C[C@@H](Sc1nc2ccccc2n1C1CCCCC1)C(=O)N[C@H]1CCS(=O)(=O)C1 12506942 YIHYAQTVVZOWFW-CABCVRRESA-N 421.588 3.325 0 40 HGAB CCOc1ccc(S(=O)(=O)N2c3ccccc3[C@H](C(N)=O)C[C@H]2C)cc1OCC 12771997 CLYNNKKNOLXJBT-RHSMWYFYSA-N 418.515 3.040 0 40 HGAB Cc1ccc(-c2csc3ncnc(N4CCCN(S(C)(=O)=O)CC4)c23)cc1 12869431 AEDUPCMYWUXDLY-UHFFFAOYSA-N 402.545 3.138 0 40 HGAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 12887377 CIHKWTJRAXSQEL-OAQYLSRUSA-N 416.481 3.387 0 40 HGAB COc1cc(C(c2cc(OC)c3c(c2)OCO3)[C@@H]2COC(=O)[C@H]2C)cc2c1OCO2 13462879 UYKJDDXZIMXQNB-SMDDNHRTSA-N 414.410 3.102 0 40 HGAB biogenic,in-vitro O=C(NCCc1ccc(F)cc1)[C@H]1CC(=O)N(CCc2c[nH]c3ccc(F)cc23)C1 13944932 IOQDECOFKVIRQL-KRWDZBQOSA-N 411.452 3.196 0 40 HGAB CCCn1c(SCC(=O)NCCCN2CCCC2=O)nc2cc(Cl)ccc21 14094669 RWDUTTBMJONPFZ-UHFFFAOYSA-N 408.955 3.321 0 40 HGAB C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(C[C@@H](O)COCc1ccccc1Cl)C2=O 14188185 QYDFZAAUKOPNDZ-NVAPDCRFSA-N 408.926 3.354 0 40 HGAB CCS(=O)(=O)N(CC(=O)Nc1c(C)cc(C)cc1C)c1ccc2c(c1)OCO2 14399876 KYMRGCRPVUORMZ-UHFFFAOYSA-N 404.488 3.135 0 40 HGAB O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Nc1cc(Cl)ccc1N1CCCCC1 14912311 MVTATMKDPPDTQH-HZPDHXFCSA-N 403.910 3.444 0 40 HGAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc(OC)c2)cc1Cl 16692715 HCRTYKMYCPSCAK-UHFFFAOYSA-N 412.895 3.007 0 40 HGAB CC[C@@H]1c2ccsc2CCN1C(=O)c1ccc(OC)c(S(=O)(=O)N(C)C)c1 16778823 FSFLEMPFVHVGON-OAHLLOKOSA-N 408.545 3.157 0 40 HGAB CCCS(=O)(=O)N1CCCc2cc(NC(=O)c3cc(OC)cc(OC)c3)ccc21 17286802 FLISCAJGTRZPIA-UHFFFAOYSA-N 418.515 3.449 0 40 HGAB Cc1ccc(C(=O)[C@H](C)OC(=O)c2cccc(S(=O)(=O)NC3CC3)c2)cc1C 18997146 NYVFACPAYAIWOK-HNNXBMFYSA-N 401.484 3.172 0 40 HGAB C[C@@H]1CN(c2nc(O)c3c(n2)CN(Cc2ccc(C(F)(F)F)cc2)CC3)C[C@@H](C)O1 19497583 OMOBPWDJBRCLRH-ZIAGYGMSSA-N 422.451 3.373 0 40 HGAB CCOc1cc2c(cc1CN1CCC([C@@H](NC(C)=O)c3ccccn3)CC1)OCO2 19532461 FIJTWNJYYUADIV-HSZRJFAPSA-N 411.502 3.298 0 40 HGAB COc1ccc([C@H](CC(=O)NC(C)(C)C)N(C)S(=O)(=O)c2ccccc2)cc1 19935769 GVJMEWVNWMTGTQ-IBGZPJMESA-N 404.532 3.362 0 40 HGAB O=C(CN(c1ccccc1F)S(=O)(=O)c1ccccc1)NCc1ccc(F)cc1 20495619 MCXCWCLTFFGGIB-UHFFFAOYSA-N 416.449 3.477 0 40 HGAB CCc1nc2ccc(NS(=O)(=O)c3ccc(NS(C)(=O)=O)cc3)cc2s1 22255239 LHCFLCZLLSALJV-UHFFFAOYSA-N 411.530 3.031 0 40 HGAB CC[C@H](NC(=O)CN(c1ccccc1Cl)S(C)(=O)=O)c1ccc(OC)cc1 22330766 SVAQRHFMMAZBJC-KRWDZBQOSA-N 410.923 3.382 0 40 HGAB CC(C)Oc1cccc(CCCNC(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)c1 22335527 IZXRGRVSPCGCJY-UHFFFAOYSA-N 422.522 3.128 0 40 HGAB C[C@H](NC(=O)CN1CCC(NC(=O)c2ccc(F)cc2)CC1)c1ccc(F)cc1 23147538 WMTKEULAVGEMOF-HNNXBMFYSA-N 401.457 3.036 0 40 HGAB O=C(NCc1ccccc1)[C@@H]1CSCN1C(=O)c1cccc(Br)c1 24673070 ATVAJGPSHFDTHU-INIZCTEOSA-N 405.317 3.281 0 40 HGAB Cc1nc(COc2ccc(F)cc2)sc1C(=O)NCC(C)(C)N1CCOCC1 24926619 TVELKFHSRQEQNF-UHFFFAOYSA-N 407.511 3.010 0 40 HGAB CC(C)C(=O)N1CCC(NC(=O)c2cnn(-c3ccccc3F)c2-n2cccc2)CC1 25755543 PKXYVUTWQXIYQK-UHFFFAOYSA-N 423.492 3.179 0 40 HGAB O=C(N[C@@H](CN1CCOCC1)c1ccccc1)c1nn(-c2ccccc2)c2c1CCC2 32869217 KVVCHDVTGJQNBB-QFIPXVFZSA-N 416.525 3.164 0 40 HGAB CN(C(=O)CSc1nnc(C(F)(F)F)n1N)C(c1ccccc1)c1ccccc1 32910287 FETWWWABCHXOMD-UHFFFAOYSA-N 421.448 3.351 0 40 HGAB CCn1c(SCC(=O)NCc2ccco2)nnc1-c1ccc2c(c1)OCCCO2 33087517 HUQNNSLNSADIIG-UHFFFAOYSA-N 414.487 3.128 0 40 HGAB C[C@@H]1CCC[C@@H](C)N1S(=O)(=O)c1ccc(NC(=O)CN2CCCCCC2)cc1 35313664 YGDBYGJITSLPBV-QZTJIDSGSA-N 407.580 3.453 0 40 HGAB C[C@@H](CCc1ccccc1)NC(=O)[C@H]1[C@H]2C=C[C@]3(CN(c4ccccc4)C(=O)[C@H]13)O2 35485167 DOQJCMSPVWOHSQ-WOJFCEJLSA-N 402.494 3.111 0 40 HGAB CCCn1c(C)ccc(-c2noc(CCC(=O)N[C@H](C)c3ccc(OC)cc3)n2)c1=O 46020538 ZFJCYQVFBVWGLZ-MRXNPFEDSA-N 424.501 3.435 0 40 HGAB O=C(NC[C@@H]1Cc2ccccc2O1)Nc1ccc(-n2cncn2)cc1C(F)(F)F 47674161 YWMOYRVQXUPHGA-AWEZNQCLSA-N 403.364 3.411 0 40 HGAB COc1ccc(OC)c(S(=O)(=O)N2CCN([C@@H](C)CCc3ccccc3)CC2)c1 48332465 GMIKNWCUNYJBDY-SFHVURJKSA-N 418.559 3.031 0 40 HGAB CC(C)OC(=O)C[C@@H](NC(=O)[C@@H]1CCCN(C(=O)N2CCCC2)C1)c1ccccc1 48340359 UHKVOSVDFONYRF-WOJBJXKFSA-N 415.534 3.113 0 40 HGAB Cc1ccc2c(c1)N(Cc1ccc(F)cc1)N=C(C(=O)N1CCCCC1)S2(=O)=O 49402687 FQFBJXYVYWDTJX-UHFFFAOYSA-N 415.490 3.254 0 40 HGAB Cc1cccc(N2CCN(C(=O)c3ccc4c(=O)n5c(nc4c3)SCC5)CC2)c1C 49403645 YKYVFHSQCPCPOB-UHFFFAOYSA-N 420.538 3.081 0 40 HGAB CCOC(=O)[C@@H]1[C@H](c2ccc(Cl)cc2Cl)NC(=O)N(C)[C@]1(O)C(F)(F)F 57531308 HCTJVFJACMCBSF-COPLHBTASA-N 415.195 3.120 0 40 HGAB O=C(c1n[nH]nc1Nc1cccc(Cl)c1)N1CCN(c2ccc(F)cc2)CC1 67284690 AZEKABZKXLOVHZ-UHFFFAOYSA-N 400.845 3.303 0 40 HGAB C[C@@H]1C[C@H](C(F)(F)F)n2nc(C(=O)OCC(=O)Nc3ccc(F)cc3)cc2N1 72333701 HMQWQVHAHLQJDP-NOZJJQNGSA-N 400.332 3.125 0 40 HGAB CCOC(=O)N(C)c1ccc(NC(=O)c2cc(Br)c(C=O)n2C)cc1 78822244 OGSVPTBAGNDCQK-UHFFFAOYSA-N 408.252 3.445 0 40 HGAB CCC(=O)N1N=C(c2cccc(NS(C)(=O)=O)c2)C[C@H]1c1cccc(OC)c1 79112560 NTIPJWRZGWFYRU-IBGZPJMESA-N 401.488 3.154 0 40 HGAB COCc1cc(C)nc(NN/C=C2/C(=O)N(c3ccc(Cl)cc3)N=C2C)c1C#N 95471030 BEYVTGCUYUKWRX-VCHYOVAHSA-N 410.865 3.285 0 40 HGAB CNC(=O)[C@@H]1CCCC[C@@H]1NCC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1 97165609 PAXTVTCSQVBMRE-MSOLQXFVSA-N 411.550 3.003 0 40 HGAB O=C(COC(=O)c1cccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1)c1ccccc1 100743204 GFAYBRPCWVTBHP-SNHGZMDHSA-N 401.418 3.038 0 40 HGAB COC(=O)c1cn(CCc2ccccc2)cc2c(=O)n(-c3ccc(OC)cc3)nc1-2 101722743 LATYCFKHGQBKRM-UHFFFAOYSA-N 403.438 3.177 0 40 HGAB O=C1[C@H]2[C@@H](c3ccccc3)N3CCCN3[C@H]2C(=O)N1c1cccc(C(F)(F)F)c1 102690953 LPQXAUCZLPZYGO-RCCFBDPRSA-N 401.388 3.241 0 40 HGAB COc1ccc(-c2cc(C(F)(F)F)nc(S[C@H]3CC(=O)[C@H]4OC[C@H]3O4)n2)cc1 102998656 FVQZTNDUBJENLU-YCPHGPKFSA-N 412.389 3.346 0 40 HGAB COC(=O)C1=C(c2ccc(Cl)cc2)NC(=S)N[C@H]1c1cc(OC)ccc1OC 105093880 HTIZUQVATXJIOH-SFHVURJKSA-N 418.902 3.460 0 40 HGAB COc1ccc(-c2noc(CN(C)C(=O)COc3ccccc3Cl)n2)c(OC)c1 218852143 UFTBLRMCANFTIN-UHFFFAOYSA-N 417.849 3.445 0 40 HGAB CCOC(=O)c1cccc(NC(=O)c2ccc(N(C)S(C)(=O)=O)c(C)c2)c1C 222480693 KPDAUVSFZASCLL-UHFFFAOYSA-N 404.488 3.128 0 40 HGAB COc1ccc(CCNC(=O)[C@H](C)N(Cc2ccccc2)C(=O)C(C)C)cc1OC 222758260 GSJUQBJSQXRLJS-SFHVURJKSA-N 412.530 3.436 0 40 HGAB Cc1ccc(C(=O)NCCOc2ccccc2C(C)C)cc1N(C)S(C)(=O)=O 223825775 UDUTYOFNVLAPBP-UHFFFAOYSA-N 404.532 3.323 0 40 HGAB COc1ccc(C(=O)Nc2cc(N3CCOCC3)c(N)cc2C)cc1Br 226264424 AJRQFGGJTOUPJF-UHFFFAOYSA-N 420.307 3.437 0 40 HGAB O=C(Cc1c(F)cccc1Cl)N1CCC(n2c(O)nc3ccsc3c2=O)CC1 253537682 IAACWIAXUXKPMB-UHFFFAOYSA-N 421.881 3.362 0 40 HGAB Cc1nccn1[C@@H]1CC[C@@H](NC(=O)CCCn2c(C(C)C)nc3ccccc32)[C@H]1O 257246285 ITLCEHJZBSUWRT-SYYKKAFVSA-N 409.534 3.326 0 40 HGAB COc1ccc2c(c1)C1(CC1)CN(c1ccc(S(N)(=O)=O)cc1C(F)(F)F)C2 515101225 YQCNVIVFMVFIRC-UHFFFAOYSA-N 412.433 3.413 0 40 HGAB CC[C@H](C)[C@H](NC(=O)c1ccc2nc[nH]c2n1)C(=O)Nc1cccc(N2CCCC2)c1 542603484 HXYXIBMBEDCFIA-YWZLYKJASA-N 420.517 3.341 0 40 HGAB Ic1cnc(N2CC=C(c3ccc4c(c3)OCCO4)CC2)nc1 545915881 XFHMWBJCCQZGRV-UHFFFAOYSA-N 421.238 3.146 0 40 HGAB O=C(c1cc(F)c(O)c(F)c1)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21 547290727 GDIRNRIQGOAFOY-UHFFFAOYSA-N 422.453 3.048 0 40 HGAB Cc1nc(Nc2nc(C)c(C)s2)cc([C@@H]2CCCN(C(=O)/C=C/CN(C)C)C2)n1 585292977 VFBYWAOFRNUGPF-UGAXZCSASA-N 414.579 3.426 0 40 HGAB O=C(c1ccccc1C(F)(F)F)N1CC(Cn2nc(-c3cccnc3)ccc2=O)C1 585605591 DZVKLIDYXHCGNU-UHFFFAOYSA-N 414.387 3.096 0 40 HGAB CN1CCOc2ccccc2CCCCC2(CCN(C(=O)c3cn(C)cn3)CC2)C1 643574057 ZYBDKLFLKQNHNF-UHFFFAOYSA-N 410.562 3.380 0 40 HGAB O=C(CCc1ccc(C(F)(F)F)cc1)N1CCCc2cnc(N3CCOCC3)nc21 675007579 HSZKUNMPXKFSML-UHFFFAOYSA-N 420.435 3.244 0 40 HGAB O=C(Cn1cnc2ccccc21)N1C[C@@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@H]2C1 1888904395 PAWQLEDERKIRFD-GJZGRUSLSA-N 415.419 3.045 0 40 HGAB Cc1ccc(OC[C@]2(O)CCCN(C(=O)CCn3cnc4ccccc43)C2)cc1C 2037913065 NXUXMJSSLLFQRG-DEOSSOPVSA-N 407.514 3.476 0 40 HGAB Cn1cccc1/C=C1/SC(=O)N(CC(=O)Nc2ccc(Br)cc2)C1=O 1006133 NOWCQPMICZSBNH-NTEUORMPSA-N 420.288 3.463 0 40 HGAB Cc1nn(C)c(C)c1CNC(=O)[C@@H](C)n1nc(C(F)F)c(Br)c1C 2781861 ADRIKOGPLNULJF-SNVBAGLBSA-N 404.259 3.119 0 40 HGAB COc1ccc(NC(=O)COC(=O)c2ccc(OC)c(OC)c2OC)cc1Cl 3219504 VCSGHMSQNMHJLJ-UHFFFAOYSA-N 409.822 3.170 0 40 HGAB C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@H](CN4CCC(N5CCCCC5)CC4)[C@H]3[C@H](O)[C@@]21C 4062997 GQWCDWWREXSFDW-VEMNPONZSA-N 416.606 3.222 0 40 HGAB biogenic C[C@@H]1C[C@@H](C)CN(C(=O)C(=O)c2cn(CC(=O)N3CCCCC3)c3ccccc23)C1 4272334 YXNMRDANZVRYEI-QZTJIDSGSA-N 409.530 3.341 0 40 HGAB O=C(OCC(=O)N1CCOCC1)c1c2c(nc3ccccc13)/C(=C/c1ccco1)CC2 4516667 HHLOVGGFXVUVSP-JQIJEIRASA-N 418.449 3.330 0 40 HGAB CC(C)C(=O)N1CCCc2ccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)cc21 5136581 JJZZJXXYPZFEGX-UHFFFAOYSA-N 416.499 3.194 0 40 HGAB COc1ccc(C(C)=O)cc1COC(=O)c1sc2nc3n(c(=O)c2c1C)CCC3 5246657 APJQGPMRGLOZNT-UHFFFAOYSA-N 412.467 3.281 0 40 HGAB CCOc1ccc2[nH]c(=O)c(CN(CCCO)C(=S)NC3CCCCC3)cc2c1 6196596 DRXFAIIIQREDAY-UHFFFAOYSA-N 417.575 3.318 0 40 HGAB CCCCCNC(=O)CN1CC[C@]2(O)CCCC[C@@H]2[C@@H]1c1ccc(O)c(OC)c1 6264164 COYIMEITIZUVMK-YFXJRYMSSA-N 404.551 3.375 0 40 HGAB biogenic O=C(Nc1ccccc1C(=O)O)c1cc(S(=O)(=O)NC2CCCCC2)cs1 6681720 VXZBDMUQEBVJPI-UHFFFAOYSA-N 408.501 3.310 0 40 HGAB O=C(COc1ccc(Cl)cc1)N(Cc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 6810957 WYOBWZSNSDBCMR-KRWDZBQOSA-N 411.882 3.074 0 40 HGAB COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CCCCC3)c(C)c2)cc1 7361927 UKRWPJDXKCAAGO-UHFFFAOYSA-N 418.515 3.196 0 40 HGAB Cc1cccc(OCc2nnc(SCC(=O)NCc3ccc4c(c3)OCO4)o2)c1 8132923 FQVNWACRXTYFHY-UHFFFAOYSA-N 413.455 3.094 0 40 HGAB O=C1CN(S(=O)(=O)c2ccccc2)C[C@@H](Cn2c3ccccc3c3ccccc32)O1 8844674 CVJIQYDTWBMDGR-KRWDZBQOSA-N 420.490 3.411 0 40 HGAB COc1ccccc1N(CC(=O)NC(c1ccccc1)c1ccccc1)S(C)(=O)=O 9252350 DWXLNVHNARKUSI-UHFFFAOYSA-N 424.522 3.367 0 40 HGAB O=C(OCc1nc2ccccc2s1)C1CCN(S(=O)(=O)c2ccccc2)CC1 9362502 QNISINNSTKQPTG-UHFFFAOYSA-N 416.524 3.440 0 40 HGAB Cc1ccccc1N1C(=O)N[C@](NC(=O)CCc2ccccc2)(C(F)(F)F)C1=O 9419444 PVPMFHUBKYTODQ-IBGZPJMESA-N 405.376 3.059 0 40 HGAB COc1cc2c(cc1NC(=O)[C@@H](C)Sc1nc(N)cc(=O)[nH]1)oc1ccccc12 9730418 LZDAJNSHBLWMSB-SNVBAGLBSA-N 410.455 3.379 0 40 HGAB COc1ccc2c(c1)O[C@]1(C[C@H]3CC[C@@H]1C[C@@H]3C(=O)NCc1cccc(F)c1)NC2=O 12185318 WBJQPRCVNUJKNR-HEKCMURKSA-N 424.472 3.405 0 40 HGAB Cc1cnc(-c2nc(C3CCN(C(=O)[C@@H](C)Oc4ccc(F)cc4)CC3)no2)cn1 12187526 WWBIOFOUEIQDAC-CQSZACIVSA-N 411.437 3.148 0 40 HGAB COC(=O)CNC(=O)C1(Cc2ccccc2-c2ccc(F)c(F)c2)CCOCC1 12231707 XPQCWEBGBOTRPR-UHFFFAOYSA-N 403.425 3.260 0 40 HGAB C[C@@H]1Oc2ccccc2N(CCC(=O)NCCCCOc2ccc(F)cc2)C1=O 12392972 GDDVVLUIUASYKZ-INIZCTEOSA-N 400.450 3.305 0 40 HGAB CCN(C(=O)c1ccccc1SCc1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 12601385 XENZSVJMRLMZKZ-HNNXBMFYSA-N 408.545 3.233 0 40 HGAB CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)Nc1ccc(F)c(Cl)c1 12767293 UTOPUXOAPIFWQK-FQEVSTJZSA-N 401.825 3.417 0 40 HGAB COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)c1cc2c(C)nn(C)c2s1 12811926 VPOHAXXEJFDUDN-UHFFFAOYSA-N 406.895 3.316 0 40 HGAB CN(Cn1nc(Nc2ccccc2Cl)sc1=S)[C@H]1CCS(=O)(=O)C1 12815665 OFLDQTIOMSXRLN-JTQLQIEISA-N 404.970 3.147 0 40 HGAB O=C(CCN1C(=O)COc2ccccc21)Nc1ccc(I)cc1 12921566 WMQOSBSIARZBBM-UHFFFAOYSA-N 422.222 3.045 0 40 HGAB CCOc1cc2c(cc1NC(=O)c1cc(C)c(C)c(S(=O)(=O)NC)c1)O[C@@H](C)C2 12928191 OSPYPNQEVWJBBT-ZDUSSCGKSA-N 418.515 3.186 0 40 HGAB C[C@H](NC(=O)c1ccc(CN2C(=O)C(=O)N(C)C2=O)cc1)c1cccc2ccccc12 13000652 MYWKYYOQXZRECF-HNNXBMFYSA-N 415.449 3.251 0 40 HGAB COCCn1c(SCC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)nc2ccccc2c1=O 13141521 SIWBUQZSRQIEBR-HLLBOEOZSA-N 403.548 3.076 0 40 HGAB Cc1ccc(-c2ccc(=O)n(CCCNC(=O)COc3ccccc3Cl)n2)cc1 13801418 RQQFDLBHMKAOSP-UHFFFAOYSA-N 411.889 3.457 0 40 HGAB COc1ccc(NC(=O)CCn2cnc3c([nH]c4ccc(F)cc43)c2=O)cc1OC 14001155 GHFBYVGVTFHZNP-UHFFFAOYSA-N 410.405 3.063 0 40 HGAB COc1ccc2c(CC(=O)NC[C@@H](c3ccc(F)cc3)N3CCOCC3)coc2c1 16002355 XRJCYJUBQIKWDU-NRFANRHFSA-N 412.461 3.313 0 40 HGAB O=C(COC(=O)c1cc(=O)[nH]c2ccccc12)Nc1ccc(N2CCCCC2)cc1 16050275 RKLOAWYBARWGMO-UHFFFAOYSA-N 405.454 3.314 0 40 HGAB Cc1nn(CC(=O)Nc2ccc(Br)cc2F)c(=S)n1-n1cccc1 16777881 NVCZZCFQGXFOMD-UHFFFAOYSA-N 410.272 3.376 0 40 HGAB COc1ccc([C@H]2[C@@H]3C(=O)N(c4c(C)cc(C)cc4C)C(=O)[C@H]3N3CCCN23)cc1 19166804 DPVCZYOJVPHRRJ-BVSLBCMMSA-N 405.498 3.156 0 40 HGAB CN(C)C(=O)COc1ccccc1C(=O)Nc1ccc2c(c1)nc1n2CCCCC1 19295559 VLLIMTKWEJILCN-UHFFFAOYSA-N 406.486 3.482 0 40 HGAB CCCC(=O)N1c2ccc([C@@H](O)CN3CCN(c4nccs4)CC3)cc2C[C@H]1C 19501701 ZMCNCINJVSEMRK-UZLBHIALSA-N 414.575 3.076 0 40 HGAB Cc1cn(C)c2ccc(C(=O)N3CCc4nc(N5CCC[C@@H](C)C5)[nH]c(=O)c4C3)cc12 19663044 XIYRUCOPLAIFET-OAHLLOKOSA-N 419.529 3.005 0 40 HGAB CC(C)c1csc(NC(=O)Cn2cc(C(=O)Nc3ccc(F)cc3)ccc2=O)n1 19751601 XUJUTFKPHTYEPC-UHFFFAOYSA-N 414.462 3.458 0 40 HGAB COc1ccccc1[C@@H](C)NC(=O)CN(C)S(=O)(=O)c1c(C)cc(C)cc1C 20013137 XPOHTSVJPDGLAA-QGZVFWFLSA-N 404.532 3.118 0 40 HGAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@@H](C)Sc2ccc(OC)cc2)c1 20104704 XFDKMWQEJYVNSF-GFCCVEGCSA-N 403.456 3.388 0 40 HGAB Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccc(F)cc1)N(CCN1CCOCC1)C3=O 20308562 CBZLKADNOMAMKJ-OAQYLSRUSA-N 422.456 3.118 0 40 HGAB C[C@@H]1C[C@@H]2[C@@H](C[C@H](O)[C@@]3(Cl)[C@@H]2CCC2=CC(=O)C=C[C@@]23C)[C@@]1(O)C(=O)CCl 22001683 FSYKOOROHIBYBP-NVFDWOAESA-N 413.341 3.021 0 40 HGAB CCOc1c(Br)cc(Br)cc1CNCCN1CCOCC1 22074767 UTLQQIQNYNPOFN-UHFFFAOYSA-N 422.161 3.032 0 40 HGAB C[C@@H](Sc1nc(CN2CCOCC2)nc2ccccc12)C(=O)N1CCCCCC1 22188625 ROEOJEMKNGEQTR-QGZVFWFLSA-N 414.575 3.345 0 40 HGAB Cc1cccc(C)c1N(CC(=O)Nc1ccccc1Br)S(C)(=O)=O 22273731 SOJWPKNYWSQZNM-UHFFFAOYSA-N 411.321 3.471 0 40 HGAB COc1ccccc1CCCNC(=O)CN(c1c(C)cc(C)cc1C)S(C)(=O)=O 22401158 BYMJZJQABJQBTN-UHFFFAOYSA-N 418.559 3.135 0 40 HGAB O=C(CN1CCN(CCC(=O)Nc2ccccc2Cl)CC1)Nc1cccc(F)c1 22930009 CDHPGOIQSIUQHO-UHFFFAOYSA-N 418.900 3.064 0 40 HGAB O=C(Nc1cccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)c1)[C@@H]1CCCO1 24425703 IWSHMCHWVHWDCO-FQEVSTJZSA-N 413.905 3.420 0 40 HGAB COC(=O)[C@@H](CCSC)NC(=O)N1CCC(c2nc3ccccc3s2)CC1 25108661 IDMFYQVOISLVGD-OAHLLOKOSA-N 407.561 3.480 0 40 HGAB CC(=O)N1CCc2cc(C(=O)[C@@H](C)Sc3nc4ccsc4c(=O)n3C)ccc21 26112616 UPSYBQZIWZYHNC-LLVKDONJSA-N 413.524 3.268 0 40 HGAB COc1ccc(N2C[C@H](C(=O)Nc3ccccc3C(=O)NC3CCCC3)CC2=O)cc1 28420223 HNBNFQOTULZZLU-MRXNPFEDSA-N 421.497 3.359 0 40 HGAB COc1cc(C(=O)Nc2ccc(NC(=O)[C@@H]3CCCO3)cc2)cc(OC)c1OC 30175737 VYWRDHWFIOOGAU-INIZCTEOSA-N 400.431 3.082 0 40 HGAB Cc1cc(NC(=O)[C@H](OC(=O)CCCn2c(C)csc2=O)c2ccccc2)no1 30510293 VUNVZYDNHQCCRX-GOSISDBHSA-N 415.471 3.218 0 40 HGAB COc1ccc(OC)c(N2C[C@@H](C(=O)NCCSCc3ccsc3)CC2=O)c1 32421699 BAKPRYACUGKOBQ-HNNXBMFYSA-N 420.556 3.168 0 40 HGAB COc1cccc(CCC(=O)OCc2cc(=O)n3cc(Cl)ccc3n2)c1OC 32747383 KHHGENSBENWXQK-UHFFFAOYSA-N 402.834 3.041 0 40 HGAB O=C(CCn1ncc(=O)c2ccccc21)NCc1ccc(OCC(F)(F)F)cc1 32899257 FMLANAVVBATSOR-UHFFFAOYSA-N 405.376 3.044 0 40 HGAB CCn1c(SCC(=O)NCCC(C)C)nc2c3cc(OC)ccc3n(C)c2c1=O 33287514 VVZCOVVXFRYEGO-UHFFFAOYSA-N 416.547 3.171 0 40 HGAB COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCc3ccccc3)cc2)cc1 33590787 CYJUWUJDMXEQCY-UHFFFAOYSA-N 410.495 3.450 0 40 HGAB CCN(CC)C(=O)CN1CCCN(c2ncnc3sc4c(c23)CC[C@@H](C)C4)CC1 34857411 CVRGDJYUQLNTKM-MRXNPFEDSA-N 415.607 3.197 0 40 HGAB Cc1noc2nc(-c3cnn(C)c3)cc(C(=O)Nc3nnc(-c4ccncc4)s3)c12 36619226 YAUZPTZNUQMLDC-UHFFFAOYSA-N 418.442 3.098 0 40 HGAB C[C@H](NC(=O)[C@@H]1CN(S(C)(=O)=O)c2ccccc2O1)c1ccc(C(C)(C)C)cc1 38772915 SVFROSNKODDRPG-YWZLYKJASA-N 416.543 3.389 0 40 HGAB CSc1nnnn1-c1cccc(NC(=O)C[C@@H]2c3ccccc3C=CN2C(C)=O)c1 40074059 AGTLLGUUZIYYPT-LJQANCHMSA-N 420.498 3.287 0 40 HGAB Cc1ccc([C@@H](C)NC(=O)[C@@H]2CCN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cc1 44933588 WNHRPCBJQPFOIV-KUHUBIRLSA-N 422.934 3.443 0 40 HGAB Cc1cc(C)n(C[C@H](C)CNS(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)n1 48287608 PIZVXVTXEOANQM-SNVBAGLBSA-N 407.870 3.369 0 40 HGAB COC(=O)N(C)CC(=O)NC[C@@H](c1ccc(Cl)cc1)N1CCc2sccc2C1 48325832 VGOBWHPKUOKBKU-KRWDZBQOSA-N 421.950 3.315 0 40 HGAB COc1cccc(-c2csc3ncc(C(=O)Nc4ccc5c(c4)OCO5)c(=O)n23)c1 64787950 FQBVDGPOKHAGKR-UHFFFAOYSA-N 421.434 3.413 0 40 HGAB COc1ccc(NC(=O)Cn2nnc(C(=O)Nc3ccc(C)cc3C)c2C)cc1OC 67322876 GOUCUZSEGRUXFT-UHFFFAOYSA-N 423.473 3.112 0 40 HGAB O=C(NC[C@H](O)c1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc(F)c(Cl)c1 70640242 BNSXDANQQXSNCB-AWEZNQCLSA-N 404.747 3.286 0 40 HGAB COCCCCC(=O)N[C@H](CNS(=O)(=O)c1ccc(C)cc1C)c1ccccc1 72297599 OJWPERFXMFBQHR-HXUWFJFHSA-N 418.559 3.256 0 40 HGAB Cc1cccc(OC[C@@H](O)CN(C(=O)NCc2ccc3c(c2)OCO3)C(C)C)c1 72305394 VBDVOWRXNDRJTA-SFHVURJKSA-N 400.475 3.084 0 40 HGAB Cc1cccc(N2CCN(CCCCNC(=O)CCc3nnc(C(C)C)o3)CC2)c1 72309538 XNRGUOVHTAPLKL-UHFFFAOYSA-N 413.566 3.153 0 40 HGAB O=C(CN1CC[C@H](c2cc(CCOc3ccc(F)cc3)[nH]n2)C1)NC1CCCCC1 72371248 IRZFROVPHVAEGK-KRWDZBQOSA-N 414.525 3.409 0 40 HGAB O=C(CCc1nc2ccccc2[nH]c1=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 72403406 ZUQCHOMZXAQVFH-UHFFFAOYSA-N 411.889 3.019 0 40 HGAB O=C(C[C@H]1CCS(=O)(=O)C1)NC1(c2noc(C3CCCC3)n2)CCCCCC1 95431303 XSPCCGMKUQQEIL-OAHLLOKOSA-N 409.552 3.218 0 40 HGAB Cc1nc(C)c(C(=O)N2CCOC[C@H]2c2c(C)nn(CC(F)(F)F)c2C)s1 96002533 UQPZPJABVNNNQN-ZDUSSCGKSA-N 402.442 3.349 0 40 HGAB O=C(Nc1cccnc1)c1ccc2ccc(N3CCN(Cc4cccnc4)CC3)n2c1 96038397 JAXGPPWTONFMRZ-UHFFFAOYSA-N 412.497 3.304 0 40 HGAB Cc1ccc(C(=O)N2CCC3(CC2)C[C@H](CC(=O)N2CCOCC2)c2ccccc23)o1 96052839 ZTWUVMQOWHAQNF-IBGZPJMESA-N 422.525 3.498 0 40 HGAB COc1ccc(S(=O)(=O)C2CN(C(=O)CCc3ccc(Cl)c(F)c3)C2)cc1 96377959 HBMWNOPFPIVUNV-UHFFFAOYSA-N 411.882 3.105 0 40 HGAB CC[C@@](Br)([C@H](O)c1ccc(Br)cc1)S(=O)(=O)CC 96521608 YUUZMRMXLITBQE-NEPJUHHUSA-N 400.132 3.418 0 40 HGAB Cn1cc(C(=O)NC[C@H]2CC[C@H](c3ccnc4cc(C(C)(C)C)nn43)CC2)ccc1=O 100159416 POAHKWNHUWYMQV-CALCHBBNSA-N 421.545 3.429 0 40 HGAB O=C(CC[C@H]1C(=O)Nc2ccccc21)Nc1cccc(N2CCCCS2(=O)=O)c1 100783479 JICZMSUXWAOKRN-GOSISDBHSA-N 413.499 3.071 0 40 HGAB CCN(CC)CCCNC(=O)c1c(O)c2ccccc2n(Cc2ccccc2)c1=O 100851372 VXMWLAVPVXEOKV-UHFFFAOYSA-N 407.514 3.217 0 40 HGAB CCOc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)cc(Cl)c1O 106755737 SSALTAWFMPUGFB-GDNBJRDFSA-N 424.906 3.493 0 40 HGAB O=C(Nc1cnn(C[C@H]2COc3ccccc3O2)c1)c1cc(=O)c2ccccc2o1 207999830 YQRYKBVIBMPEJV-HNNXBMFYSA-N 403.394 3.082 0 40 HGAB CC(=O)N1CCCc2cc(S(=O)(=O)Nc3nnc(-c4ccccc4)s3)ccc21 222638376 NQAKWIQLQIYLSI-UHFFFAOYSA-N 414.512 3.305 0 40 HGAB COc1ccc([C@H](C)NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)cc1 223658761 WCMZIHHGVIAWFA-AWEZNQCLSA-N 400.500 3.034 0 40 HGAB CCOc1ccc(NS(=O)(=O)c2nnc(NC(=O)c3ccc(C)cc3)s2)cc1 223768923 QBXPOKFTTVDHJI-UHFFFAOYSA-N 418.500 3.298 0 40 HGAB COc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)C(C)C)c2ccccc2OC)cc1 225196630 HPPMSMVIZSPGIR-INIZCTEOSA-N 420.531 3.060 0 40 HGAB CC[C@@H](C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)COc1ccccc1OC 225420922 PKEBLZCMUNCDEE-RTBURBONSA-N 412.530 3.449 0 40 HGAB Cc1cccc(CCCNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)c1 225506830 UTUFPIPCLQSGMS-FQEVSTJZSA-N 400.544 3.145 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCC(c3cncc(Nc4cnccn4)n3)CC2)cc1C 257243836 IITNUNXDQMGYRZ-UHFFFAOYSA-N 424.530 3.195 0 40 HGAB CCCNC(=S)Nc1nc(Sc2ncccn2)cc(N2CCCC[C@H]2C)n1 260739859 QBMLRHRVPBWTGA-CYBMUJFWSA-N 403.581 3.493 0 40 HGAB COc1ncccc1CN1CCN(C)[C@@H](c2nnn3cc(-c4ccccc4)ccc23)C1 306135090 OHOBBIBDYNEWCA-JOCHJYFZSA-N 414.513 3.289 0 40 HGAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NCCC(C)C)CC2)cc1Cl 408584712 UBUOXXNVZCOVAJ-UHFFFAOYSA-N 416.971 3.302 0 40 HGAB CCCNC(=O)CN1C(=O)S/C(=C\c2ccc(OC)c3cccc(OC)c23)C1=O 409214911 YMVSNFPLQAMTJV-BOPFTXTBSA-N 414.483 3.420 0 40 HGAB CCCN1C(=O)N/C(=C/c2cccn2-c2ccc(I)cc2)C1=O 409227822 RMRBZWJBPDPXJT-RVDMUPIBSA-N 421.238 3.385 0 40 HGAB Cc1noc(C(C)(C)NC(=O)CSc2nncn2-c2ccc(C(C)C)cc2)n1 552771067 LULJZEHTCNLUAZ-UHFFFAOYSA-N 400.508 3.226 0 40 HGAB CNc1cc([C@@]2(C)CCCN(C(=O)C3(c4ccc(C)cc4)CCOCC3)C2)nc(C)n1 585261897 NEYMGINUZOGJQL-DEOSSOPVSA-N 422.573 3.764 0 40 HGAB Cc1ccc(Cl)c(OCC2(O)CCN(CC(=O)NCc3ccccc3)CC2)c1 585272941 LCUXDFZDKZWGLO-UHFFFAOYSA-N 402.922 3.171 0 40 HGAB CN1CCC(N2CCC3(CCCCc4ccccc4OCC(=O)N(C)C3)CC2)CC1 643563787 VOYPXJFEQGLQED-UHFFFAOYSA-N 413.606 3.427 0 40 HGAB Cc1nc2ccccc2c(C)c1CC(=O)N1CCS(=O)(=O)C2(CCCCC2)C1 674689517 NZXWUBPJWSUMKV-UHFFFAOYSA-N 400.544 3.354 0 40 HGAB COc1ccc([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2ccccc2OC)c(OC)c1 862510 AADFCWVMVSBULU-IBGZPJMESA-N 413.499 3.144 0 40 HGAB C[C@H]1CN(c2ccc(Oc3ccccc3)cc2)c2nc3c(c(=O)[nH]c(=O)n3C)n2C1 1278639 DWFNZQQUTVLQOC-AWEZNQCLSA-N 403.442 3.003 0 40 HGAB CCOC(=O)c1sc2ncnc(OCC(=O)NCCc3ccc(F)cc3)c2c1C 2640826 DQEJQWGPMYHXSZ-UHFFFAOYSA-N 417.462 3.053 0 40 HGAB O=c1c2ccccc2nnn1CSc1nnc(-c2ccco2)n1Cc1ccccc1 2663713 JJRSWPMECLGJET-UHFFFAOYSA-N 416.466 3.441 0 40 HGAB Cc1ccc(C)c(C(=O)COC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c1 3517377 UVYSMLLJFIFECE-UHFFFAOYSA-N 401.484 3.128 0 40 HGAB O=C(NC1CCCCC1)[C@H](c1ccncc1)N(C[C@H]1CCCO1)C(=O)C(F)(F)F 4083290 ROHLIKBQEIZFMU-SJORKVTESA-N 413.440 3.142 0 40 HGAB O=C(N[C@H]1CCCc2ccccc21)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 4134235 BTKLXNNNUGQDSP-WMZOPIPTSA-N 404.557 3.343 0 40 HGAB C[C@@H](CC(=O)OCC(=O)N(C)CC(=O)Nc1ccccc1Cl)c1ccccc1 4516380 GGCFEDWTVJEFMC-HNNXBMFYSA-N 402.878 3.474 0 40 HGAB COc1ccc(-c2nc(NCc3ccco3)n(S(=O)(=O)c3ccccc3)n2)cc1 4777294 DASKAWSPFNZIIC-UHFFFAOYSA-N 410.455 3.396 0 40 HGAB CCOCCCNC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(C(C)(C)C)cc1 4873202 OOPUKRBPMKWWEX-LJQANCHMSA-N 410.580 3.070 0 40 HGAB COC[C@H](C)OC(=O)c1c(N)n(Cc2ccc(OC)cc2)c2nc3ccccc3nc12 4909500 UUEKSQUCPALPSX-AWEZNQCLSA-N 420.469 3.415 0 40 HGAB COc1ccc(CCN[C@H](CC(=O)Nc2ccc(C(C)C)cc2)C(=O)O)cc1OC 4939512 HABSLNATHIOEDP-LJQANCHMSA-N 414.502 3.441 0 40 HGAB Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)OCC(=O)c3ccc[nH]3)c2)cc1 4996307 NLPKNRYGHXJXSH-UHFFFAOYSA-N 412.467 3.188 0 40 HGAB Cc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccccc3OC(F)F)CC2=O)cc1 6081584 NHZCZGISJYRKQP-CQSZACIVSA-N 418.396 3.131 0 40 HGAB CCC[C@@H](C)NC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O 6324780 ZIIYUPXQAHSQMA-SNVBAGLBSA-N 400.850 3.430 0 40 HGAB CC(C)(C)N(Cc1ccccc1)C(=O)COC(=O)CCS(=O)(=O)c1ccccc1 7780291 YSYQIDTYKXOUBZ-UHFFFAOYSA-N 417.527 3.221 0 40 HGAB CCOc1ccc(NC(=O)COC(=O)c2ccc(NC(=O)C(F)(F)F)cc2)cc1 7940007 VQBJDHVWMAJWMC-UHFFFAOYSA-N 410.348 3.382 0 40 HGAB C[C@@H]1C=CC[C@@H]2C(=O)N(c3cccc(C(=O)Nc4cccc(C(=O)O)c4)c3)C(=O)[C@@H]21 8470344 HESHQYVOKGKQPR-ZNZDAUKMSA-N 404.422 3.339 0 40 HGAB Cc1ccc(-c2cn3c4c(=O)n(C)c(=O)n(C)c4nc3n2-c2cc(C)ccc2C)cc1 8656883 UKKVWIVXCOBUAJ-UHFFFAOYSA-N 413.481 3.268 0 40 HGAB COc1cc(C(=O)C[C@@H]2OC(=O)c3c2ccc(OC)c3OC)cc(OC)c1OC 8764479 WFNZLWZUBHZHBC-HNNXBMFYSA-N 402.399 3.214 0 40 HGAB biogenic Cn1cnnc1SCc1cc(=O)c(OC(=O)c2cccc(Br)c2)co1 9740145 OQKGHYBCFDFSTC-UHFFFAOYSA-N 422.260 3.042 0 40 HGAB CCOC(=O)N1CCC(NC(=O)CCc2c(C)nc3c4ccccc4nn3c2C)CC1 10043018 QBABJXJCKPPRTF-UHFFFAOYSA-N 423.517 3.169 0 40 HGAB O=C(Nc1ccc(CNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1)C1CC1 10670517 UTDWCMONEMYNCA-UHFFFAOYSA-N 414.405 3.412 0 40 HGAB CCOC(=O)C1CCN(C(=O)[C@@H](C)Sc2nc3ccc(OCC)cc3[nH]2)CC1 10732410 SSHGJHCWNRNRFB-CYBMUJFWSA-N 405.520 3.244 0 40 HGAB CNC(=O)[C@@H]1CN(C(=O)CSC2=Nc3ccccc3CS2)c2ccccc2O1 11232410 DBMZVUGJYGYONF-KRWDZBQOSA-N 413.524 3.194 0 40 HGAB CCOC(=O)Cc1csc(SCC(=O)Nc2ccccc2N2CCCC2=O)n1 11645981 ZCJJXZMRQNOGBF-UHFFFAOYSA-N 419.528 3.106 0 40 HGAB CCOc1ccccc1NC(=O)N1CCN(c2ccc(Nc3cccnc3)nn2)CC1 11697694 XEYAMPKPORPAJE-UHFFFAOYSA-N 419.489 3.368 0 40 HGAB Cc1ccc2c(c1)CN(S(C)(=O)=O)CC1(CCN(Cc3ccccc3)CC1)O2 12365947 VQPWQNJCDQNJRB-UHFFFAOYSA-N 400.544 3.184 0 40 HGAB COc1ccc(OC)c(N2C[C@H](c3nc(-c4ccc5c(c4)OCO5)no3)CC2=O)c1 12416032 ROMSJCHELHQIDJ-CYBMUJFWSA-N 409.398 3.003 0 40 HGAB Cc1cccc(NC(=O)CNC(=O)c2ccc3c(c2)C(=O)N(CCC(C)C)C3=O)c1C 12781950 DGXZLNJDIAEMBC-UHFFFAOYSA-N 421.497 3.314 0 40 HGAB COc1cccc(CN(C)C(=O)CCn2cnc3sc4c(c3c2=O)CCCC4)c1 12851625 OOUQAVKDLKQFHL-UHFFFAOYSA-N 411.527 3.394 0 40 HGAB COc1ccc(-c2nnc(NC(=O)Cn3nc(-c4ccccc4)ccc3=O)s2)cc1 12881249 FFFYPPDBOYUOCK-UHFFFAOYSA-N 419.466 3.076 0 40 HGAB COC(=O)Cn1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)c2ccccc21 13513704 VLZKMQDPLIGHKU-VCHYOVAHSA-N 407.401 3.046 0 40 HGAB CCOc1ccccc1NC(=O)c1ccc(N2C(=O)[C@@H](C)CS2(=O)=O)cc1Cl 15858429 JVLAFAQITSKPNC-LBPRGKRZSA-N 422.890 3.304 0 40 HGAB CNC(=S)N1CCc2cc(OC)c(OC)cc2[C@H]1Cc1ccc(OC)c(OC)c1 16189329 QEIXXQGWXVWCNF-QGZVFWFLSA-N 416.543 3.367 0 40 HGAB CCNS(=O)(=O)c1cc(C(=O)Nc2ccccc2C(F)(F)F)ccc1OC 16681878 RSVMCMPFQHZPHV-UHFFFAOYSA-N 402.394 3.265 0 40 HGAB CN1CCN(c2nc(Nc3ccc(F)cc3)c3cnn(-c4ccccc4)c3n2)CC1 16916060 DEFPSVZPUKGYKG-UHFFFAOYSA-N 403.465 3.450 0 40 HGAB COc1ccc(Br)cc1C(=O)NC(=S)Nc1ccc2c(c1)OCCO2 17093453 UEXZBUJNOFHAFH-UHFFFAOYSA-N 423.288 3.356 0 40 HGAB Cc1ccccc1-n1c(SCC(=O)N2C[C@H](C)O[C@H](C)C2)nc2ccccc2c1=O 18113369 UTBWMXIKTCZLNL-CALCHBBNSA-N 423.538 3.422 0 40 HGAB CC(C)(C(=O)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1)n1cncn1 19080875 IZLRVEUPMFWQCK-UHFFFAOYSA-N 404.514 3.188 0 40 HGAB COc1ccc(CCNCc2cc(-c3cccc(C)c3)cn3nnnc23)cc1OC 19235290 LRKMTEVVSWNHIK-UHFFFAOYSA-N 403.486 3.449 0 40 HGAB CC(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCCCN3S(=O)(=O)N(C)C)cc2N1 19451236 ONFXDONJOSUJIQ-AEGPPILISA-N 423.505 3.160 0 40 HGAB CC(C)c1cc(C(=O)N2CCC(c3cc(N(C)C)nc(-c4cnccn4)n3)CC2)on1 19452808 DPFFJFCZPGIFTE-UHFFFAOYSA-N 421.505 3.131 0 40 HGAB COc1ccc(OC[C@H](C)NC(=O)[C@H]2CCCN2c2ncnc3ccccc23)cc1 19456708 UZSWEDQTAPARKY-HRAATJIYSA-N 406.486 3.191 0 40 HGAB CCC(=O)N1CCCc2cc([C@@H](O)CN3CCN(c4ccc(F)cc4)CC3)ccc21 19498887 CJLPNVIOHHFATJ-QHCPKHFHSA-N 411.521 3.371 0 40 HGAB COc1ccc(CN2CCC[C@H](c3cc(=O)[nH]c(-c4cccs4)n3)C2)cc1CO 19559315 FGKZVQCZPPDURN-INIZCTEOSA-N 411.527 3.379 0 40 HGAB Cc1nc(N)ncc1C(=O)N[C@@H](CCc1ccccc1)c1ccc2c(c1)OCCO2 19655425 CSNPSOHCJOYRLJ-IBGZPJMESA-N 404.470 3.242 0 40 HGAB CCc1nc(-c2cncnc2[C@H]2CCN(C(=O)c3nccc4ccccc34)C2)no1 19693873 BLUUCMAOXSCNCU-HNNXBMFYSA-N 400.442 3.267 0 40 HGAB Cc1nn(C)cc1C(=O)N1CCC[C@@H](c2nc(N(C)C)ncc2-c2cccc(F)c2)C1 19694063 HJOYJFHSXFWHSG-QGZVFWFLSA-N 422.508 3.410 0 40 HGAB CC(=O)N1CCC(N2CCCC[C@H]2c2nc(C)c3c(n2)N(CC2CC2)CCC3)CC1 19706820 XEFVIIICZLLEMA-QFIPXVFZSA-N 411.594 3.486 0 40 HGAB CCOc1ccc2oc(C)c(C(=O)N3CCC[C@@H](c4ncc(C(N)=O)c(C)n4)C3)c2c1 19763750 TUXQTSXRIMFMGE-OAHLLOKOSA-N 422.485 3.357 0 40 HGAB NS(=O)(=O)c1ccc(CCNCc2ccc(OCc3cccs3)cc2)cc1 19938211 IXJOJSGGDGVPAE-UHFFFAOYSA-N 402.541 3.307 0 40 HGAB COc1cc(C(C)=O)ccc1OC[C@@H](O)CN1CCN(c2cc(C)cc(C)c2)CC1 19999742 BSUNRQPXTYUPSU-QFIPXVFZSA-N 412.530 3.077 0 40 HGAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cc(F)ccc2C)cc1Cl 20016233 ZPSWVEAEERQFHG-NSHDSACASA-N 400.859 3.102 0 40 HGAB CC[C@@H](C)NS(=O)(=O)c1ccc(OCC(=O)N[C@H]2CCCc3ccccc32)cc1 20019582 FEINUSWPGXRSNP-IERDGZPVSA-N 416.543 3.336 0 40 HGAB O=C(CSc1nc2ccccc2s1)NC[C@@H]1CN(Cc2ccccc2)CCO1 23295871 HDOZQTBROQPCJZ-QGZVFWFLSA-N 413.568 3.406 0 40 HGAB Cc1cc(-n2c(C)cc(/C=C/C(=O)N3CCN(Cc4ccncc4)CC3)c2C)no1 23847157 OCULTJSYRMHOIO-SNAWJCMRSA-N 405.502 3.143 0 40 HGAB Cc1nc(-c2ccc(NS(=O)(=O)c3ccc4c(c3)NC(=O)CO4)cc2)cs1 24262056 QBYYFXWLIFTYSC-UHFFFAOYSA-N 401.469 3.250 0 40 HGAB CCOc1ccc2nc(NC(=O)c3cc(S(N)(=O)=O)ccc3Cl)sc2c1 24768843 KJVKAGGEKHUNFN-UHFFFAOYSA-N 411.892 3.248 0 40 HGAB Cc1nc(CN2C(=O)c3ccccc3S2(=O)=O)sc1C(=O)Nc1ccccc1 25667461 JVVPVBKKSFFJDJ-UHFFFAOYSA-N 413.480 3.049 0 40 HGAB Cn1cc(C(=O)N2CCO[C@@H](c3ccccc3)C2)c(-c2ccc3c(c2)OCCCO3)n1 27907767 LKZIWUDRRSKINY-JOCHJYFZSA-N 419.481 3.462 0 40 HGAB CC(C)C[C@H](NC(=O)CCN1C(=O)c2ccccc2S1(=O)=O)c1ccccc1 29107355 PCDYVJDKPHEHJQ-SFHVURJKSA-N 400.500 3.125 0 40 HGAB Cc1ccc(C)c(C(=O)[C@H](C)Sc2ccc(S(=O)(=O)N3CCOCC3)cn2)c1 31751814 ZOGNOOFNCKWXNK-INIZCTEOSA-N 420.556 3.083 0 40 HGAB CC(=O)c1ccc(NC(=O)C[C@H]2SC(c3cc4ccccc4oc3=O)=NC2=O)cc1 32514386 FPZOTNYEBOPMNO-GOSISDBHSA-N 420.446 3.413 0 40 HGAB COc1cccc(-c2nn(Cc3ccccc3)cc2C(=O)O[C@H]2C[C@H](C)OC2=O)c1 32736720 HFFRDRYAOCLSBT-YWZLYKJASA-N 406.438 3.468 0 40 HGAB CCc1noc([C@@H](C)N2CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)n1 32755239 MZZYEYAKLKGPGD-LLVKDONJSA-N 419.334 3.006 0 40 HGAB CC(C)c1ccc(NC(=O)CSc2nc3cc(S(N)(=O)=O)ccc3n2C)cc1 32946668 KXYMLMCJCPCJMU-UHFFFAOYSA-N 418.544 3.075 0 40 HGAB CCOC(=O)[C@@H]1C(=O)[C@H](C(=O)OCC)[C@@H](c2ccccc2)N(C)[C@@H]1c1ccccc1 35183085 SMOICQRJIQLAGP-PLACYPQZSA-N 409.482 3.342 0 40 HGAB Cc1ccc([C@@H](CNC(=O)C2(c3ccccc3)CCOCC2)N2CCOCC2)cc1 38629511 CZVKLCIXWVYSAF-HSZRJFAPSA-N 408.542 3.233 0 40 HGAB Cc1cc(NC(=O)c2ccc(-c3ccc(F)cc3)o2)n([C@H]2CCS(=O)(=O)C2)n1 44838891 DJWVRIUCJLOICB-HNNXBMFYSA-N 403.435 3.203 0 40 HGAB O=C(NCCCN1CCOCC1)c1cc2sccc2n1Cc1ccccc1F 44901067 OQCILZSNIZRYPU-UHFFFAOYSA-N 401.507 3.342 0 40 HGAB Cc1ccc(Cl)c(O[C@H](C)C(=O)N2C[C@@H](C(=O)N(C)C)Oc3ccccc32)c1 45646703 STZDVDGCWOJEIT-KUHUBIRLSA-N 402.878 3.298 0 40 HGAB Cc1nccn1-c1cc(CNC(=O)c2ccc(NC(=O)c3ccco3)s2)ccn1 47014454 KAAUBHFEGWLWHD-UHFFFAOYSA-N 407.455 3.413 0 40 HGAB Cc1ccc(NC(=O)Cn2ncn3nc(-c4cc(C)ccc4C)cc3c2=O)c(F)c1 51317057 NXAHIFSWCRSQKU-UHFFFAOYSA-N 405.433 3.261 0 40 HGAB COc1ccccc1[C@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1 52957402 LZRJFPKNCXYCCO-ZWKOTPCHSA-N 416.543 3.282 0 40 HGAB COc1cccc([C@H](CNC(=O)N2CCc3cc(OC)c(OC)cc3C2)N(C)C)c1 53539897 UTGDQGPVGQATPM-FQEVSTJZSA-N 413.518 3.083 0 40 HGAB C[C@@H](C(=O)Nc1ccc(NC(=O)NC[C@@H](C)N(C)c2ccccc2)cc1)n1cncn1 58145873 VOIDCLADDZIOPK-SJORKVTESA-N 421.505 3.124 0 40 HGAB Cc1csc(=O)n1CC(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 58169688 FTGHWXHSDKETHR-UHFFFAOYSA-N 422.554 3.179 0 40 HGAB COc1ccc([C@@H](CN2CCN(C)CC2)NC(=O)/C=C/c2ccc(Cl)cc2)cc1 58182563 SVYKKMVDIZSBGJ-HLTWJZBHSA-N 413.949 3.467 0 40 HGAB O=C(NCc1cccc(NC(=O)[C@H]2CCCO2)c1)c1ccc(-c2cccs2)[nH]c1=O 64050274 SBBOOKXQGNKGOV-GOSISDBHSA-N 423.494 3.151 0 40 HGAB CCc1ccccc1NC(=O)CN(C)C(=O)[C@H](C)N(C)Cc1ccc(Cl)nc1 72308171 QSFDHFPNADAETA-HNNXBMFYSA-N 402.926 3.215 0 40 HGAB Cc1ccc(CNC(=O)C2CCN(C(=O)[C@H](C)Cc3c(C)n[nH]c3C)CC2)cc1F 84183198 OFIVWEIQZOLWCR-OAHLLOKOSA-N 414.525 3.208 0 40 HGAB CCC(=O)Nc1ccc(S(=O)(=O)N2CCO[C@H](c3ccc(Cl)cc3)C2)cc1 84718699 KQATYAFWISMUBN-SFHVURJKSA-N 408.907 3.451 0 40 HGAB CCOCCN(Cc1ccc(C(=O)O)o1)C(=O)CCc1cnn(-c2ccccc2)c1 95424551 HBDWXRNBQFMGBH-UHFFFAOYSA-N 411.458 3.161 0 40 HGAB CCN(CC)C(=O)C[C@H]1CC2(CCN(C(=O)N3CCOCC3)CC2)c2ccccc21 96079516 XVZWLQSMEZTIBQ-IBGZPJMESA-N 413.562 3.218 0 40 HGAB COc1cccc(CN2CC[C@@H]3CN(Cc4ccccc4)S(=O)(=O)[C@@H]3CC2)c1 96263670 OFXUJLRWTVKLPS-IFMALSPDSA-N 400.544 3.121 0 40 HGAB O=C1[C@@H]2[C@H](C(=O)N1c1cccc(C(F)(F)F)c1)[C@@H](c1ccc(F)cc1)N1CCCN21 100165964 RASNOJDOUWQTMT-KURKYZTESA-N 419.378 3.380 0 40 HGAB COc1cccc(N(CCCC(=O)NCc2ccccc2Cl)S(C)(=O)=O)c1 113968336 QHJAPIHSIUPFIH-UHFFFAOYSA-N 410.923 3.211 0 40 HGAB CCOC(=O)[C@]1(CN)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(C)cc1 218587620 OMBKGVQRHQKMII-BJLQDIEVSA-N 407.919 3.096 0 40 HGAB C[C@@H](C(=O)N[C@H](C)CCc1ccccc1)N(c1ccc(F)c(F)c1)S(C)(=O)=O 220455208 QJIGSSMDIKZZLF-CABCVRRESA-N 410.486 3.257 0 40 HGAB Cc1ccc(OC[C@H](C)NC(=O)c2cccc(N3CCCCS3(=O)=O)c2)cc1 222561752 PWCPAYABXROFAF-KRWDZBQOSA-N 402.516 3.122 0 40 HGAB CCc1ccc(CC)c(CNC(=O)CN(c2ccccc2CC)S(C)(=O)=O)c1 223399634 VZLGSFRYXXOQQJ-UHFFFAOYSA-N 402.560 3.456 0 40 HGAB CS(=O)(=O)N(CC(=O)Nc1nnc(-c2ccccc2)s1)c1cccc(Cl)c1 224202466 BOAXFQJECZFSKL-UHFFFAOYSA-N 422.919 3.263 0 40 HGAB CCN(c1ccc(C(=O)Nc2ccc(C(N)=O)cc2)cc1)S(=O)(=O)c1ccccc1 224365254 ALIJUORRDKEVIZ-UHFFFAOYSA-N 423.494 3.253 0 40 HGAB C[C@@H](CCc1ccccc1)NC(=O)CN(Cc1ccccc1Cl)S(C)(=O)=O 224540713 UQHICHSUQGFETI-INIZCTEOSA-N 408.951 3.239 0 40 HGAB CCc1ccc(CC)c(CNC(=O)[C@H]2CN(S(=O)(=O)CC)c3ccccc3O2)c1 224628047 RZWCQCFKKMIEPN-OAQYLSRUSA-N 416.543 3.045 0 40 HGAB COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc[nH]2)cc1 225205546 YGHJYWGMAMYKMO-PMACEKPBSA-N 407.499 3.172 0 40 HGAB COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(C)[nH]2)cc1 225229827 SPMXGTJOQMPLMM-LEWJYISDSA-N 421.526 3.480 0 40 HGAB CC[C@@H](NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1)c1ccc(OC)cc1 225603523 YHWWVXUHUYJGCX-HXUWFJFHSA-N 414.527 3.424 0 40 HGAB COc1cccc(O[C@H]2CCN(C(=O)COc3ccc(Cl)c(C)c3)CC[C@@H]2O)c1 257253143 JXSOPRGHLYITQG-SFTDATJTSA-N 419.905 3.467 0 40 HGAB Cc1cccc(N([C@H](C)C(=O)Nc2nnc(-c3ccccc3)s2)S(C)(=O)=O)c1 260790693 GLEJPNRPIHSWMP-CQSZACIVSA-N 416.528 3.307 0 40 HGAB CCOC(=O)c1ccc(NC(=O)CCc2ccc(S(=O)(=O)NC(C)C)cc2)cc1 409195223 GLPHNODBGMXUJG-UHFFFAOYSA-N 418.515 3.121 0 40 HGAB COc1ccc([C@H]2C3=C(CN(C(C)=O)C3=O)Nc3cccc4c3c2cn4C)cc1OC 524729475 VKGZVYIKCGXZAQ-OAQYLSRUSA-N 417.465 3.396 0 40 HGAB biogenic COc1ccc([C@H](NC(=O)CCCn2c(O)nc3ccccc3c2=O)C(C)C)cc1 524733693 GJDKOAQOJFWCDK-OAQYLSRUSA-N 409.486 3.404 0 40 HGAB CC(=O)N1CCN(C2CCN(C(C)C)CC2)C[C@H](Cc2cccc3cccnc23)C1 1615153852 BMBPVSQLTVBALM-OAQYLSRUSA-N 408.590 3.430 0 40 HGAB O=C1CC[C@@H](c2cccc(NC(=O)N[C@H]3CCCN(c4ccccc4F)C3=O)c2)N1 1678456013 FDIYMAQORVGYMQ-ROUUACIJSA-N 410.449 3.094 0 40 HGAB O=C(NCCOc1ccc(F)cc1F)N1CC(c2nc(-c3ccccc3)no2)C1 1685276044 ZMKXWSNJSMBBFI-UHFFFAOYSA-N 400.385 3.203 0 40 HGAB COC(=O)Nc1ccc(S(=O)(=O)NC[C@H](O)c2ccc(-c3ccco3)s2)cc1 1775969056 VOTDTKXVFMNGAH-AWEZNQCLSA-N 422.484 3.198 0 40 HGAB COc1ccc(-c2nnsc2C(=O)Nc2ccc(N3CCN(C)CC3)cc2)cc1 1874147429 ANSWSCHRLTWKCW-UHFFFAOYSA-N 409.515 3.218 0 40 HGAB O=S(=O)(c1cccc(C(F)(F)F)c1)N1CC[C@@H](COc2ccc(F)cn2)C1 1889214608 DAPQKMQYZFOJBY-GFCCVEGCSA-N 404.385 3.329 0 40 HGAB CCOC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccco3)n2CC)cc1 797002 FMNSGJVCMUVQMR-UHFFFAOYSA-N 400.460 3.466 0 40 HGAB CCCCN1C(=O)[C@@](O)(CC(=O)c2cccnc2)c2cc(Br)ccc21 2493098 IIHMEZLVOGGTDE-LJQANCHMSA-N 403.276 3.451 0 40 HGAB Cc1c(NC(=O)COC(=O)c2ccc(F)cc2Cl)c(=O)n(-c2ccccc2)n1C 3316806 AALVZJZYVPIOJE-UHFFFAOYSA-N 417.824 3.072 0 40 HGAB Cc1ccc(/C=C/C(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)o1 3354187 AOFRUXVKIGRJEA-PKNBQFBNSA-N 410.495 3.288 0 40 HGAB O=S(=O)(NCCNc1ncnc2sc3c(c12)CCCC3)c1ccc(F)cc1 4241433 BXKRDWCWSJOPFM-UHFFFAOYSA-N 406.508 3.100 0 40 HGAB COc1ccc(N2C(=O)N(c3ccc(C)c(Cl)c3)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 4393697 KUYYHNKNPBHHQP-ZWKOTPCHSA-N 406.891 3.269 0 40 HGAB Cc1noc(C)c1COc1cccc(C(=O)OCN2C(=O)c3ccccc3C2=O)c1 4524410 RPHNTUBHUXIVJL-UHFFFAOYSA-N 406.394 3.281 0 40 HGAB C[C@H]1CCCCN1C(=O)CSc1nc2ccccc2n1CC(=O)N1CCCC1 4859132 BGVVOQMOSNUIKF-INIZCTEOSA-N 400.548 3.152 0 40 HGAB CNC(=O)NC(=O)[C@H](OC(=O)CCCc1nc2ccccc2s1)c1ccccc1 6141126 KREQCVFIBLYOSJ-LJQANCHMSA-N 411.483 3.359 0 40 HGAB Cc1cc(C(=O)CSc2nnnn2-c2ccc(O)cc2)c(C)n1-c1nccs1 7036268 WIXSTVRINKTHTR-UHFFFAOYSA-N 412.500 3.207 0 40 HGAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2nnc(C(F)(F)F)n2C)c1C 7198371 ARPXDTZDSZZAKW-VIFPVBQESA-N 404.414 3.319 0 40 HGAB C[C@@H](OC(=O)CCC1CCCC1)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 7483770 AURFPEWRHVWUQJ-MRXNPFEDSA-N 422.547 3.312 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cc(C)ccc3C)C2)cc1 7910569 GIYYXBGEDVYKRL-QGZVFWFLSA-N 402.516 3.351 0 40 HGAB CC(=O)Nc1ccc(NC(=O)CCC(=O)OCC(=O)Nc2cc(C)cc(C)c2)cc1 8415167 AIOANAUVNPIXHK-UHFFFAOYSA-N 411.458 3.162 0 40 HGAB O=C(CN1CCC(C(=O)Nc2ccccc2)CC1)NCCc1c[nH]c2ccccc12 8429214 KPLILUYWPWUXFX-UHFFFAOYSA-N 404.514 3.177 0 40 HGAB O=C(COC(=O)c1cccc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)c1)c1ccc(F)cc1 8722544 ZXDKABSUMMRFPJ-RWFYYTQISA-N 419.408 3.177 0 40 HGAB COc1ccc(-n2nnnc2SCC(=O)Nc2ccc(N3CCCCC3)cc2)cc1 9221161 HEKHUQXMGZROSU-UHFFFAOYSA-N 424.530 3.392 0 40 HGAB CN(C)S(=O)(=O)c1cccc(C(=O)Nc2ncc(Cc3ccc(F)cc3)s2)c1 9549418 UQBXEVIVIBWROU-UHFFFAOYSA-N 419.503 3.376 0 40 HGAB Cc1cc(NS(=O)(=O)c2cc3c4c(c2)CCN4C(=O)CC3)ccc1Br 9708640 QLFZEPXJOSSYPW-UHFFFAOYSA-N 421.316 3.394 0 40 HGAB Cc1cccc(Cn2c(=O)c3c(nc4n3CCN4c3cccc(C)c3C)n(C)c2=O)c1 10104739 JYJUVZVULSINOF-UHFFFAOYSA-N 415.497 3.022 0 40 HGAB COc1ccc(CN2CCC(c3cc(C(F)(F)F)n4ncnc4n3)CC2)cc1O 12329054 JIMJQSBIZMXEBW-UHFFFAOYSA-N 407.396 3.237 0 40 HGAB COc1ccc(NC(=O)Cn2cnc3c(sc4nc(C)cc(C)c43)c2=O)cc1OC 12414945 PIPPMLVDRXGNEW-UHFFFAOYSA-N 424.482 3.279 0 40 HGAB Cc1cccc2c(=O)n(CCC(=O)NCCc3ccc(C(F)(F)F)cc3)cnc12 12700360 OODIPBZEXHJGIX-UHFFFAOYSA-N 403.404 3.473 0 40 HGAB COC(=O)c1cccc(NC(=O)/C(=C/c2ccco2)n2nnnc2-c2ccccc2)c1 12794689 OXBAEOCSPXCFHL-RGEXLXHISA-N 415.409 3.357 0 40 HGAB C[C@@H](Sc1nnc(-c2cccs2)n1CCC(N)=O)C(=O)Nc1ccccc1F 12804109 MBDVPLHVVMOBRN-LLVKDONJSA-N 419.507 3.140 0 40 HGAB C[C@@H](C(=O)Nc1ccc(F)cc1F)N1CCC(C(=O)NCc2ccccc2)CC1 12808150 HTVSYHPHWMXBAI-HNNXBMFYSA-N 401.457 3.320 0 40 HGAB COc1ccc2cc(CN(C)C(=O)CCc3ccc(S(N)(=O)=O)cc3)ccc2c1 12864469 QBRHROSKZQLSEK-UHFFFAOYSA-N 412.511 3.087 0 40 HGAB Cc1ccc2cc(CN(C[C@@H]3CCCO3)C(=S)NCc3ccco3)c(=O)[nH]c2c1 13570968 ZFNDNAOSOCWPRY-IBGZPJMESA-N 411.527 3.485 0 40 HGAB O=C([C@@H]1CCCO1)N1CCc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc21 13696701 FQBQYEMHUHFFQI-SFHVURJKSA-N 406.891 3.209 0 40 HGAB O=S(=O)(Cc1nc2ccccc2n1C[C@H](O)COc1ccccc1)c1ccccc1 14289930 NPGNGPMSRZNUBP-SFHVURJKSA-N 422.506 3.450 0 40 HGAB Cc1ccc(Cn2ccs/c2=N\C(=O)C2CCN(C(=O)c3ccco3)CC2)cc1 14637337 AUIWANUQAFEWMS-FCQUAONHSA-N 409.511 3.479 0 40 HGAB CCSc1nnc(NC(=O)COc2ccc(I)cc2)s1 14740040 UJLYWSJBIAAINF-UHFFFAOYSA-N 421.285 3.272 0 40 HGAB O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)Nc1ccc2c(c1)OCCO2 15396871 IZGYEEHAIZCSRS-UHFFFAOYSA-N 424.478 3.292 0 40 HGAB Cc1ccc2nc(NC(=O)N[C@@H]3CC(=O)N(c4ccc5c(c4)OCCO5)C3)sc2c1 17122161 OJABDYWXXIZQCR-CYBMUJFWSA-N 424.482 3.303 0 40 HGAB CCS(=O)(=O)N1CCCc2cc(NS(=O)(=O)c3ccc(F)c(C)c3)ccc21 17316537 GWBJAQPNUUHEDF-UHFFFAOYSA-N 412.508 3.037 0 40 HGAB Cc1cc(C)cc(O[C@H](C)C(=O)N2CC[C@@H](c3cc(=O)[nH]c(-c4ccccn4)n3)C2)c1 19569651 LGVNOOYKBYGHLF-QZTJIDSGSA-N 418.497 3.232 0 40 HGAB COc1ccc(-c2cnc(N(C)C)nc2[C@@H]2CCCCN2C(=O)Cn2cccn2)cc1 19694619 AFSCSOPEJYXNFL-FQEVSTJZSA-N 420.517 3.169 0 40 HGAB Cc1nc([C@H]2CCN(C(=O)Cc3ccccc3)C2)nc2c1CCC(=O)N2CC(C)C 19696267 OVMBNZXZPWIIPV-IBGZPJMESA-N 406.530 3.279 0 40 HGAB Cc1nn(C)cc1C(=O)N1CCC([C@@H]2CCCCN(CCc3ccccc3)C2=O)CC1 19743932 UYTIPBAHXZTNRF-QFIPXVFZSA-N 422.573 3.452 0 40 HGAB Cc1cc(C)c2nc(NC(=O)Cn3cc(NC(=O)c4ccccn4)cn3)sc2c1 19749847 PMNHJUKATAVSAQ-UHFFFAOYSA-N 406.471 3.396 0 40 HGAB O=C(NCc1ccc(Cl)cc1)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 19857195 JJGAOSRGNDUWGV-SFHVURJKSA-N 406.935 3.198 0 40 HGAB O=C(c1ccc(F)cc1-n1cnnn1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 20729727 FGBRQKNWLRTTKJ-UHFFFAOYSA-N 421.263 3.071 0 40 HGAB COc1ccc(N2C(=O)/C(=C\NC[C@@H]3CCCO3)c3ccccc3C2=O)cc1OC 20815674 JJLLPLGAFNZXBM-UYPHOHSBSA-N 408.454 3.000 0 40 HGAB CC(C)N(C(=O)[C@@H](C)OC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1)C(C)C 21602586 HQIODRAJYPQMBF-GFCCVEGCSA-N 403.306 3.300 0 40 HGAB COc1ccc(F)cc1S(=O)(=O)N(C)CC(=O)N[C@H](C)c1cc(C)c(C)cc1C 22539265 VDAPZMZYQAECKL-MRXNPFEDSA-N 422.522 3.257 0 40 HGAB C[C@H](CCc1ccccc1)NC(=O)C1CCN(c2nc3ccccc3[nH]c2=O)CC1 22582803 ZCWYKWSGZIMFLT-QGZVFWFLSA-N 404.514 3.277 0 40 HGAB O=C(/C=C/c1c(Cl)nc2ccccn12)N1CCN(Cc2ccc3c(c2)OCO3)CC1 23873028 HGGMUXJDVGYWBH-FNORWQNLSA-N 424.888 3.074 0 40 HGAB CCCN(CCC)c1nc2ccccc2n(Cc2cc(=O)n3cc(C)ccc3n2)c1=O 24755458 SOKKHZNSLARMAN-UHFFFAOYSA-N 417.513 3.388 0 40 HGAB COc1ccc(-c2csc(NC(=O)c3nc4nc(C)cc(C)n4n3)n2)c(OC)c1 29256049 LZSPKWZQTXJNGX-UHFFFAOYSA-N 410.459 3.134 0 40 HGAB Cc1cccc(NC(=O)NCCCN(C)CC(F)(F)F)c1C(=O)N1CCCC1 40105591 KDTZIEIPSZWGCU-UHFFFAOYSA-N 400.445 3.237 0 40 HGAB C[C@@H]1CCCN(Cc2ccccc2CNC(=O)c2ccc(=O)n(-c3ccccc3)n2)C1 40112293 VIMYRFUQYPLMNJ-LJQANCHMSA-N 416.525 3.394 0 40 HGAB NC(=O)c1cccc(C(=O)NC[C@H](c2ccccc2)N2CCc3sccc3C2)c1 40112632 WFPYTFSSJSEZOS-HXUWFJFHSA-N 405.523 3.376 0 40 HGAB COC[C@H](C)n1c(S[C@@H](C)c2nnnn2-c2ccccc2)nc2ccccc2c1=O 40127252 CMDUUTFLHTZKSB-GJZGRUSLSA-N 422.514 3.433 0 40 HGAB Cc1ccc(-c2ccc(=O)n(CCC(=O)N3CCN(c4cccc(C)c4)CC3)n2)cc1 41252824 FPHSFVWHLACTQH-UHFFFAOYSA-N 416.525 3.266 0 40 HGAB COc1ccc(S(=O)(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)cc1OC 46017563 NWPXJKZWOXUTDF-UHFFFAOYSA-N 408.501 3.462 0 40 HGAB Cc1cccc(N2CCN(C(=O)Nc3ccc(N4C(=O)CCCC4=O)cc3)CC2)c1 48354267 XRDOHPUXUVEESH-UHFFFAOYSA-N 406.486 3.393 0 40 HGAB Cc1nc(-c2ccc(Cl)cc2)n(CC(=O)N(C)c2ccccc2)c(=O)c1CCO 67300567 POSSGAJCNLRGKZ-UHFFFAOYSA-N 411.889 3.070 0 40 HGAB Cc1ccc(N2CCN(C(=O)c3sccc3NC(=O)c3cnccn3)CC2)c(C)c1 67335801 UFDIUCJCYQGUPL-UHFFFAOYSA-N 421.526 3.370 0 40 HGAB C[C@@H](NC(=O)c1sccc1S(=O)(=O)Nc1cnn(C)c1)c1cccc(Cl)c1 69442836 SBASOPPEIVJVMB-LLVKDONJSA-N 424.935 3.427 0 40 HGAB CCCc1noc(-c2ccnc(-n3cnc(C(=O)NCc4ccccc4F)c3)c2)n1 71768448 PNHVIRGJWMVSQS-UHFFFAOYSA-N 406.421 3.339 0 40 HGAB Cc1nc([C@H]2CCCN(C(=O)C3CCC3)C2)ncc1C(=O)NCc1ccc(F)cc1 72348368 DSNHHXMLMHDXRZ-SFHVURJKSA-N 410.493 3.360 0 40 HGAB O=c1c2cnc(N3CCC(Cc4ccccc4)CC3)nc2nc(O)n1C1CCCC1 77100719 HVIYMAGPSQQZQV-UHFFFAOYSA-N 405.502 3.466 0 40 HGAB CN1CCN(C(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)c2cccnc21 79018538 QHPJVFJRXWUSRP-UHFFFAOYSA-N 422.510 3.003 0 40 HGAB CC(C)(C)OC(=O)N[C@H]1CCCCCC[C@@H]1C(=O)NCCCNc1ncccn1 79098837 PXADLSXYRAIJGM-IRXDYDNUSA-N 405.543 3.259 0 40 HGAB COCCn1c(C(=O)N[C@H](c2ccc(F)c(F)c2)c2ncon2)cc2ccccc21 95452229 REDNKVATJRMXKQ-LJQANCHMSA-N 412.396 3.468 0 40 HGAB CCn1cnnc1-c1cccc(NS(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)c1 95948870 BRTLJOKNILZDCL-YWZLYKJASA-N 402.520 3.102 0 40 HGAB COC(=O)[C@@H]1CCCC[C@H]1S(=O)(=O)N1CCC(c2c[nH]c3ccccc23)CC1 96012597 OSUWUTQEXDBAFW-YLJYHZDGSA-N 404.532 3.409 0 40 HGAB Cc1ccc(C(=O)NCCCCCc2nc3ccccc3[nH]2)c(-n2cnnn2)c1C 96116924 NPWHZRDWNQBDCR-UHFFFAOYSA-N 403.490 3.298 0 40 HGAB Cc1ccc(N2C(=O)[C@@H]3N=NN(CC(=O)Nc4ccc(C(C)C)cc4)[C@H]3C2=O)cc1 100033078 AVYDVNCKZDPXGU-WOJBJXKFSA-N 405.458 3.050 0 40 HGAB COc1ccc2cc(C(=O)Nc3cnn(C[C@H]4COc5ccccc5O4)c3)[nH]c2c1 206842823 LJDAECNAKNIBOT-KRWDZBQOSA-N 404.426 3.465 0 40 HGAB CCc1ccc(OCCNC(=O)[C@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)cc1 223897963 QYWIDDRGHIGPEJ-HNNXBMFYSA-N 424.950 3.252 0 40 HGAB CC[C@@H](C(=O)NCCOc1cc(C)cc(C)c1)N(c1ccccc1)S(C)(=O)=O 224086550 KZTBBWILZHQJOR-FQEVSTJZSA-N 404.532 3.043 0 40 HGAB Cn1c(=O)sc2cc(S(=O)(=O)N[C@H]3CC(C)(C)Oc4ccccc43)ccc21 225680813 OLZLMZLUFKFGLL-AWEZNQCLSA-N 404.513 3.181 0 40 HGAB O=C(N1CCOC[C@@H](Cc2cn3ccnc3cn2)C1)C1(c2ccccc2F)CCCC1 257235026 GWCKOVRYIQVDIC-SFHVURJKSA-N 422.504 3.398 0 40 HGAB CCc1[nH]ncc1C(=O)N1CCC([C@@]2(C)CN(c3ccc(F)cc3)C(=O)O2)CC1 257308897 TYQMIOFUEJINAA-OAQYLSRUSA-N 400.454 3.379 0 40 HGAB CNC(=O)C1(Cc2ccc(-c3cccs3)cc2)CCN(C(=O)[C@H]2CCCO2)CC1 257334019 YEEDJRIBDOBQJB-LJQANCHMSA-N 412.555 3.491 0 40 HGAB Cc1ccc(N([C@H](C)C(=O)NCCOc2ccc(C)c(Cl)c2)S(C)(=O)=O)cc1 260886079 DNINZXLUDHMKOO-MRXNPFEDSA-N 424.950 3.307 0 40 HGAB O=C(c1ccc(F)cc1)N1CCO[C@@H](c2nnn3cc(-c4ccncc4)ccc23)C1 306129457 IDWJWLKRUFFFAZ-HXUWFJFHSA-N 403.417 3.144 0 40 HGAB CC(C)NC(=O)N1C[C@@H]2CC[C@H](CNC(=O)Cc3ccccc3)N2Cc2ccccc21 306130027 IUGRHOYVPBIZPZ-YADHBBJMSA-N 420.557 3.317 0 40 HGAB Cc1cc(OC2CCN(C(=O)COc3cccc4c3OC(C)(C)C4)CC2)nc(C)n1 390827244 VJOLLVFMBNLWEH-UHFFFAOYSA-N 411.502 3.256 0 40 HGAB COc1ccc(N(Cc2ccc(Br)cc2)S(C)(=O)=O)c(OC)c1 408625298 JIGLOVLTQHEIBZ-UHFFFAOYSA-N 400.294 3.433 0 40 HGAB Cc1cc(C)cc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)c1 409124833 CXFUCHBWRHSOKC-HNNXBMFYSA-N 400.862 3.492 0 40 HGAB CCOCCCNC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 409133764 RMUDEMXRVCKOJW-UHFFFAOYSA-N 410.923 3.078 0 40 HGAB COc1ccc([C@@H]2C3=C(CN(C(C)=O)C3=O)Nc3cccc4c3c2cn4C)cc1OC 524729474 VKGZVYIKCGXZAQ-NRFANRHFSA-N 417.465 3.396 0 40 HGAB biogenic CNS(=O)(=O)c1cccc([C@@H](C)Nc2ccc(C)c(-c3nnnn3C3CC3)c2)c1 542487920 CPFXGJQLCWWIAH-CQSZACIVSA-N 412.519 3.065 0 40 HGAB Cn1nccc1/C=C/C(=O)N1CCC[C@H](Cc2cccc(Nc3ccccn3)n2)C1 585291643 DWACZDGKLFNZSX-DOJUMQAQSA-N 402.502 3.448 0 40 HGAB COc1ccc(F)cc1S(=O)(=O)N1CCC(c2ccc3cccnc3n2)CC1 1212333257 AKCZUECOBAWXGF-UHFFFAOYSA-N 401.463 3.346 0 40 HGAB Cc1c(-c2nn3c([C@H]4CCCN(S(C)(=O)=O)C4)nnc3s2)oc2ccccc12 1501040385 OPOMGSZXTIKQCM-LBPRGKRZSA-N 417.516 3.046 0 40 HGAB O=C(COc1ccccc1F)N1CCC(Cc2cc(Nc3ncccn3)ncn2)CC1 2037834982 NWBCTFDOOLSMDB-UHFFFAOYSA-N 422.464 3.009 0 40 HGAB CC(=O)NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H](N(C)C(=O)C2CCCCC2)CC1 2037849941 RYOAUWCPGDQVQF-CQOQZXRMSA-N 400.563 3.403 0 40 HGAB c1ccc(-c2nc(CN3CCN(c4cc(-n5cccn5)ncn4)CC3)cs2)cc1 2086889630 DQJJXOSEPTVCTE-UHFFFAOYSA-N 403.515 3.108 0 40 HGAB COC(=O)C1=C(N)Oc2cc(C)n(Cc3ccccc3)c(=O)c2[C@H]1c1ccccc1 1471245 ZZNOEOUCXIXKRZ-LJQANCHMSA-N 402.450 3.073 0 40 HGAB biogenic CC(C)[C@@H](C(=O)OCC(=O)Nc1ccc(Cl)cc1)N1C(=O)c2ccccc2C1=O 1916963 PNSFUZFEVSPYLQ-SFHVURJKSA-N 414.845 3.143 0 40 HGAB Cc1c(CCC(=O)N[C@@H](C(=O)O)c2ccccc2)c(=O)oc2cc(O)c(Cl)cc12 2115425 WABXCPBYQFBXNG-LJQANCHMSA-N 415.829 3.335 0 40 HGAB biogenic Cc1ccc(N2C(=O)[C@@H](C(=O)N3CCOCC3)[C@H](c3ccccc3)C(C)(C)C2=O)cc1 2425947 SUYPXZCBVICTHR-RTWAWAEBSA-N 420.509 3.153 0 40 HGAB Cc1cccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)c1 2642917 DCILONLBQJXDGO-UHFFFAOYSA-N 409.514 3.053 0 40 HGAB COc1ccccc1C(=O)N[C@@H](CCSC)C(=O)OCC(=O)c1ccc(F)cc1 3315098 LTDZGXDBZYOQGV-KRWDZBQOSA-N 419.474 3.112 0 40 HGAB O=C(O[C@H]1CS(=O)(=O)C[C@H]1Nc1ccc(Cl)cc1)c1ccc(Cl)cc1 4158939 DNHHVTUMAAJOKE-CVEARBPZSA-N 400.283 3.428 0 40 HGAB CCOCCn1ccc2c(OCC(=O)Nc3ccc(C(C)=O)cc3)cccc2c1=O 4584374 KHSVWTUEPCHYNF-UHFFFAOYSA-N 408.454 3.258 0 40 HGAB O=S(=O)(Nc1cccc(N2CCCS2(=O)=O)c1)c1ccc2ccccc2c1 5075761 PZLSECFVZPMPTD-UHFFFAOYSA-N 402.497 3.181 0 40 HGAB Cc1c(C(=O)O[C@@H](C)C(=O)Nc2ccc(F)cc2)sc2nc3n(c(=O)c12)CCC3 5246831 YNTGMQNUQBFJEI-NSHDSACASA-N 415.446 3.036 0 40 HGAB COCCn1c(SCC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)nc2ccccc2c1=O 6469112 SIWBUQZSRQIEBR-ZMSDIMECSA-N 403.548 3.076 0 40 HGAB CC[C@@H](C)n1c(SCC(=O)Nc2sccc2C(N)=O)nc2ccccc2c1=O 6542029 BQTJTKAZTVGHOJ-LLVKDONJSA-N 416.528 3.259 0 40 HGAB Cc1c(NC(=O)[C@@H](C)OC(=O)c2ccc3c(c2)CCC3)c(=O)n(-c2ccccc2)n1C 6552084 XAYALXXBXPXXJI-MRXNPFEDSA-N 419.481 3.157 0 40 HGAB C[C@@H](Sc1ncnc2sccc12)C(=O)Nc1sc2c(c1C(N)=O)CCC2 7363621 LHGYDLKTFWJAHP-MRVPVSSYSA-N 404.542 3.460 0 40 HGAB CSc1ccccc1NC(=O)CN(C)C(=O)[C@H]1CC(=O)N(c2ccc(C)cc2)C1 8076413 FUBKRXSKDXOKTB-INIZCTEOSA-N 411.527 3.167 0 40 HGAB CCOc1ccc2[nH]c(SCC(=O)N(C)CC(=O)Nc3ccc(C)cc3)nc2c1 8136039 HTNKLXOMXKMORO-UHFFFAOYSA-N 412.515 3.459 0 40 HGAB O=C(NCCC1=CCCCC1)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O 8994544 MOXOGVKGEFKBSB-QFIPXVFZSA-N 417.509 3.480 0 40 HGAB CCOc1ccccc1C(=O)Nn1cnc2c(cnn2-c2cccc(Cl)c2)c1=O 10251737 ALIHAIDPSSXFIC-UHFFFAOYSA-N 409.833 3.018 0 40 HGAB COC(=O)c1ccccc1NC(=O)CSc1nnc(COc2ccc(C)cc2)o1 10475568 CGNUDURTCMOBMD-UHFFFAOYSA-N 413.455 3.474 0 40 HGAB CC(=O)Nc1ccc([C@H](O)CN2CCC3(CC2)C[C@@H](O)c2cc(C)ccc2O3)cc1 12293411 BLNYQDPZICOFAH-FGZHOGPDSA-N 410.514 3.338 0 40 HGAB O=S1(=O)c2ccccc2[C@H](O)[C@H](Cc2ccccn2)N1CCCc1ccccc1 12323138 OHFHLWCPEHZFDL-GMAHTHKFSA-N 408.523 3.363 0 40 HGAB Cc1nc(C(=O)Nc2ccccc2C(=O)NCc2ccco2)nn1-c1ccc(F)cc1 12813949 XTORYFUCRPYCRD-UHFFFAOYSA-N 419.416 3.490 0 40 HGAB C[C@H]1Oc2ccccc2N(CC(=O)Nc2cc3c(cc2Cl)OCCCO3)C1=O 12877513 LEQRQUJUKSIJMJ-GFCCVEGCSA-N 402.834 3.254 0 40 HGAB O=C(CN1CCN(C(=O)c2ccccc2)CC1)N(Cc1ccccc1)Cc1ccco1 12906303 LQEVDVXEFGTXRQ-UHFFFAOYSA-N 417.509 3.266 0 40 HGAB Cc1ccccc1NC(=O)Cc1nc(CN2CCN(C(=O)c3ccco3)CC2)cs1 12973900 PEJQXHTUHXMRAR-UHFFFAOYSA-N 424.526 3.184 0 40 HGAB O=C(/C=C/c1ccc(Cl)cc1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 12998366 CVUZHNDKESYAQZ-DHZHZOJOSA-N 404.919 3.027 0 40 HGAB CCS(=O)(=O)N1C[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)Oc2ccccc21 13682410 ABXUFZXSDQWUBN-MRXNPFEDSA-N 414.405 3.261 0 40 HGAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(N(C)S(=O)(=O)CC)cc1 14398482 YHHHBCVFMUXACP-OAHLLOKOSA-N 417.531 3.253 0 40 HGAB CC(=O)c1c(F)cccc1N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 15115597 KRUYXHBEMFNLKK-UHFFFAOYSA-N 402.491 3.028 0 40 HGAB CCOc1ccccc1NC(=O)CN1C[C@H](C(=O)N2CCCCC2)Oc2ccccc21 15545965 UJCGMWOPCBBOJC-JOCHJYFZSA-N 423.513 3.304 0 40 HGAB Cc1ccc(C)c(N2N=C(C(=O)Nc3ccccc3C(=O)NC3CC3)CCC2=O)c1 16015315 XIFTUSBWDCCZCJ-UHFFFAOYSA-N 404.470 3.317 0 40 HGAB O=C(CN1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)Nc1ccc(O)cc1 18155428 KJZLZDFVQJXCQL-ULBZPVTCSA-N 424.456 3.223 0 40 HGAB CC(C)NC(=O)[C@@H]1CN(Cc2cccs2)C[C@H]1c1ccnc(N2CCCCC2)n1 19449997 QAKDJYRQVUWQCY-RTBURBONSA-N 413.591 3.269 0 40 HGAB CCn1nc([C@H](C)C(=O)NCc2ccccc2N2CCCC2)c2ccccc2c1=O 19718014 RIBDFGYQJBYHGC-KRWDZBQOSA-N 404.514 3.437 0 40 HGAB COc1cc(OC)cc(C(=O)Nc2nc(-c3ccc4c(c3)NC(=O)CO4)cs2)c1 19796408 YNXVVSKKJDSDIS-UHFFFAOYSA-N 411.439 3.411 0 40 HGAB Cc1c(C(=O)N2CCN(c3ccccc3)CC2)nnc2c(-c3ccc(F)cc3)cnn12 19817169 CFCXEDJFKKOKEO-UHFFFAOYSA-N 416.460 3.201 0 40 HGAB COc1ccc2[nH]cc(CCN3C[C@@H](C(=O)N4CCc5ccccc54)CC3=O)c2c1 20259440 ZMKGZYMHGMJWTJ-SFHVURJKSA-N 403.482 3.157 0 40 HGAB CCOc1ccc(C(=O)NCCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1C 22227213 UEMSXTBCWCACPA-UHFFFAOYSA-N 416.543 3.151 0 40 HGAB CCOc1ccc(N(CC(=O)N[C@H](C)c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 22333426 RCUDMSFLRLQNJG-QGZVFWFLSA-N 404.532 3.346 0 40 HGAB Cc1cccc(NC(=O)CN2CCN(Cc3nnc(-c4ccc(F)cc4)o3)CC2)c1C 22929449 MBFLHCBTJFAMDO-UHFFFAOYSA-N 423.492 3.249 0 40 HGAB CC1(C)COC2(OC1)C(=O)N(CN1CCN(Cc3ccccc3)CC1)c1ccccc12 23469543 WEDKWEKPMQUFHQ-UHFFFAOYSA-N 421.541 3.034 0 40 HGAB O=S(=O)(c1ccc(F)cc1)N1CCN(Cc2coc(-c3cccs3)n2)CC1 23882160 PRKDAXIPGXLCPZ-UHFFFAOYSA-N 407.492 3.049 0 40 HGAB COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1 24060675 OIAIGOLIKIWFKB-UHFFFAOYSA-N 418.881 3.013 0 40 HGAB Cc1cc(C)cc(C(=O)NCC(=O)Nc2cccc(NC(=O)[C@@H](C)n3cccn3)c2)c1 31611770 GLZPSAVMEHURCB-QGZVFWFLSA-N 419.485 3.068 0 40 HGAB COC(=O)CCNC(=O)[C@H]1c2ccccc2C(=O)N(Cc2ccccc2)C12CCCC2 32090860 XXYIOXTZLZGBES-JOCHJYFZSA-N 420.509 3.418 0 40 HGAB COc1ccc(C(=O)OCCOc2ccc(C(C)C)c(C)c2)cc1S(N)(=O)=O 32738761 LFEMZAFTCCPGHN-UHFFFAOYSA-N 407.488 3.010 0 40 HGAB C[C@H]1CCCN(Cc2ccccc2CNC(=O)[C@@H]2CCCN(c3cnccn3)C2)C1 40112287 WPWYFCUHQSGAIX-SIKLNZKXSA-N 407.562 3.241 0 40 HGAB COc1ccc(-c2nn3c(=O)cc(CNC(=O)c4ccc(C)c(F)c4)nc3s2)cc1 41078151 URYXMGPMTQFGNF-UHFFFAOYSA-N 424.457 3.204 0 40 HGAB CCOc1ccc(NC(=O)CCNC(=O)CCNC(=O)c2ccc(Cl)cc2)cc1 41157827 HIVMOUCXUUCJDO-UHFFFAOYSA-N 417.893 3.004 0 40 HGAB CCOC(=O)c1cc(NC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)ccc1Cl 44886137 HVAHYWDBGCOGQH-UHFFFAOYSA-N 424.906 3.084 0 40 HGAB COc1cc(OC)c2[nH]c(C(=O)OCc3cc(=O)n4cc(Cl)ccc4n3)cc2c1 48250662 HSABIXJMZSUAPD-UHFFFAOYSA-N 413.817 3.203 0 40 HGAB C[C@@]1(c2ccccc2C(F)(F)F)NC(=O)N(Cc2cnn(-c3ccccc3)n2)C1=O 48273960 JDTKGRMCXBRCOX-IBGZPJMESA-N 415.375 3.253 0 40 HGAB CCN1CCN(c2ccc(CNC(=O)c3cc(-c4ccccc4Cl)[nH]n3)cn2)CC1 48290662 WXINEMXNUAPVSJ-UHFFFAOYSA-N 424.936 3.197 0 40 HGAB COc1cccc([C@@H](CNS(=O)(=O)c2ccccc2OC(F)(F)F)N(C)C)c1 48325213 NVPARFHGOXSQJB-OAHLLOKOSA-N 418.437 3.175 0 40 HGAB Cc1cc(N2C[C@@H](C(=O)N(C[C@H]3CCOC3)C3CC3)CC2=O)ccc1Br 58431075 JRWLUIJMSSQIKN-CABCVRRESA-N 421.335 3.138 0 40 HGAB CCc1ccc(-c2cc3c(=O)n(CC(=O)N(C)c4cccc(C)c4)ncn3n2)cc1 67208897 WBNZLSKZXKGZSR-UHFFFAOYSA-N 401.470 3.092 0 40 HGAB COc1cccc(-c2cn(C)c3c(=O)n(CC(=O)Nc4ccc(F)cc4F)cnc23)c1 67235546 HIYOJFQZKXVCQE-UHFFFAOYSA-N 424.407 3.328 0 40 HGAB CCN1C(=O)[C@@](O)([C@@H]2CCc3ccccc3C2=O)c2cc(Br)ccc21 72193811 PBYBVYXKGRMOFY-FOIQADDNSA-N 400.272 3.449 0 40 HGAB Cn1cc(C(=O)N2CCC[C@@H](c3nc(N)ncc3-c3ccc(Cl)cc3)C2)ccc1=O 72346201 GUCGBHIMWFKGGH-OAHLLOKOSA-N 423.904 3.098 0 40 HGAB Cc1c(OCC(=O)NC[C@@H]2CCCN3CCCC[C@H]23)ccc2c3c(c(=O)oc12)CCC3 79188610 RFHACVUULFDMKG-LAUBAEHRSA-N 424.541 3.350 0 40 HGAB biogenic COC(=O)c1ccc2ccccc2c1OS(=O)(=O)c1cccc2nsnc12 95348876 GNFZCSIHJUVKDQ-UHFFFAOYSA-N 400.437 3.399 0 40 HGAB C[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)c3ccc4nsnc4c3)cc2)C1 95457309 QFUCBYPCXCUCBX-CYBMUJFWSA-N 416.528 3.364 0 40 HGAB COc1ccc(CCc2n[nH]c(NC(=O)c3cc(-c4cccs4)nn3C)n2)cc1 95474055 GNKHKNLPNZHCSL-UHFFFAOYSA-N 408.487 3.313 0 40 HGAB COc1ccc2cc(C(=O)N3CCC[C@H](c4n[nH]cc4NC(C)=O)C3)c(C)nc2c1 95998611 PVAYUPQKIWVPIG-INIZCTEOSA-N 407.474 3.253 0 40 HGAB CCOC(=O)[C@@H]1[C@H]2NC(=S)N(CCOC)[C@@]1(C)Oc1c(Cl)cc(Cl)cc12 100030067 WZIVUSXSCNKPSQ-DCGLDWPTSA-N 419.330 3.159 0 40 HGAB CCCn1/c(=N/C(=O)c2ccc(OC)cc2)sc2cc(S(C)(=O)=O)ccc21 101061394 VYISBOQVIKESEJ-VXPUYCOJSA-N 404.513 3.266 0 40 HGAB COc1cccc(CN(C)C(=O)C23C[C@H]4C[C@@H](CC(NC(C)=O)(C4)C2)C3)c1OC 102818563 PEYDRGUEBFKZRC-TWVWUCKLSA-N 400.519 3.137 0 40 HGAB O=C([C@H]1C[C@H]2CC[C@H]1C2)N1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 103456330 DEJCXTUJELKXLG-YDHLFZDLSA-N 417.358 3.263 0 40 HGAB COC(=O)C1=C(c2ccc(Cl)cc2)NC(=S)N[C@H]1c1cccc(OC)c1OC 105093892 GASRBNZAUSFRAS-KRWDZBQOSA-N 418.902 3.460 0 40 HGAB Cc1cccc(Cn2[nH]cc/c2=N\C(=O)COc2ccccc2Br)c1 105301859 VDNOAPNWWKYFHP-RELWKKBWSA-N 400.276 3.442 0 40 HGAB Cc1ccc([C@@H](C)NC(=O)CCCN2C(=O)c3ccccc3S2(=O)=O)c(C)c1 219445778 HDRXUPMZZOMQIW-MRXNPFEDSA-N 400.500 3.106 0 40 HGAB COc1ccc(OC)c(N([C@H](C)C(=O)Nc2cc(C)ccc2C)S(C)(=O)=O)c1 220205772 CBSKSKIGLIXVNJ-OAHLLOKOSA-N 406.504 3.114 0 40 HGAB COc1ccc(OC)c(N([C@@H](C)C(=O)Nc2ccccc2SC)S(C)(=O)=O)c1 220216752 KEVVRLTZTCLADE-ZDUSSCGKSA-N 424.544 3.219 0 40 HGAB CCOc1ccc(N([C@H](CC)C(=O)NCc2ccc(F)cc2)S(C)(=O)=O)cc1 220678697 PPFPICZOWUSVCX-LJQANCHMSA-N 408.495 3.085 0 40 HGAB COc1ccccc1[C@@H](C)NC(=O)CCCN(c1cccc(C)c1)S(C)(=O)=O 223249841 SWOFFJVAMKXJJP-QGZVFWFLSA-N 404.532 3.427 0 40 HGAB CCC(=O)N1CCc2cc(S(=O)(=O)N[C@@H](C)COc3ccc(C)c(C)c3)ccc21 224694496 FZYDOGOXJJPUIW-KRWDZBQOSA-N 416.543 3.348 0 40 HGAB CSc1ccccc1NC(=O)C(=O)NC[C@](O)(c1ccco1)c1cccs1 238815249 BHKIKFQCDFOSDQ-IBGZPJMESA-N 402.497 3.054 0 40 HGAB COc1cccc(OC)c1CNC(=O)[C@@H]1[C@@H]2CC[C@@]3(CC(=O)c4ccccc4O3)[C@H]21 247902479 RDIRINWVFVEDCU-OKOQDFEXSA-N 407.466 3.380 0 40 HGAB Cc1cc(Nc2cccc(F)c2)cc([C@H]2CCN(S(=O)(=O)N3CCCC3)C2)n1 257326278 WWOXYNLUAXOTAM-INIZCTEOSA-N 404.511 3.403 0 40 HGAB C[C@@H](OC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1)C(=O)c1ccccc1 408855082 DEAMIHXVTPCWPU-RDTXWAMCSA-N 421.902 3.308 0 40 HGAB COCC1(O)CCN(C(=O)c2ccsc2NC(=O)c2ccc3c(c2)CCC3)CC1 535453237 DNJAPTNQHIZLTC-UHFFFAOYSA-N 414.527 3.103 0 40 HGAB CN(C)Cc1nnc([C@H]2CCCCN2C(=O)/C=C/c2ccccc2OC(F)F)o1 583621847 CVRUJMVLFJDRPD-AUECHBEKSA-N 406.433 3.500 0 40 HGAB CS(=O)(=O)N1CCCC[C@@H]2[C@H]1CCCN2C[C@]1(O)CC[C@@H](c2ccccc2)CC1 585284014 QPIKVKRTIJWCDB-ODAXIHTASA-N 420.619 3.354 0 40 HGAB NN1C2=NC(=O)[C@@H](CC(=O)Nc3ccc(Cl)c(Cl)c3)CN2c2ccccc21 618255926 BXZWNOIGPCDAGF-JTQLQIEISA-N 404.257 3.035 0 40 HGAB CC[C@@H](NC(=O)NCc1cc2c(nc1O)CCCC2)[C@@H](O)c1c(F)cccc1F 1683562613 GBJWBLFHLZZURX-VQIMIIECSA-N 405.445 3.256 0 40 HGAB COc1ccc2c(=O)n(CC3CCN(Cc4ncc(C)c(OC)c4C)CC3)cnc2c1 2086869000 QJYDZVFLDYAWSZ-UHFFFAOYSA-N 422.529 3.338 0 40 HGAB COc1cc(CO)cc(Br)c1OS(=O)(=O)c1ccc(Cl)cc1 2093711 XKWHFVBKTJESOC-UHFFFAOYSA-N 407.669 3.371 0 40 HGAB COCCCn1c(N)c(C(=O)Nc2ccccc2OC)c2nc3ccccc3nc21 2197444 POMNPRVXFQGWKF-UHFFFAOYSA-N 405.458 3.464 0 40 HGAB CC(C)OP(=O)(OC(C)C)[C@@H](NC(=O)c1ccccc1Br)C(N)=O 2270380 VYNSWUBTPCCRKL-OAHLLOKOSA-N 421.228 3.033 0 40 HGAB CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nnc(CSC)o2)cc1 2457026 RAJKRFNBQKIBAR-CQSZACIVSA-N 424.548 3.138 0 40 HGAB Cc1nn(C)c(C)c1CN(C)C(=O)Cn1nc(C(F)(F)F)c(Cl)c1C1CC1 2776672 QAGLVVNKCBVRQL-UHFFFAOYSA-N 403.836 3.442 0 40 HGAB COc1cc(OC)c(C(=O)OCC(=O)N[C@H](C)CCc2ccccc2)cc1OC 3446234 YRYQXAYUNULBKZ-OAHLLOKOSA-N 401.459 3.007 0 40 HGAB Cc1csc(S[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)n1 3450042 ICQBOIZEMDTLOJ-ZDUSSCGKSA-N 411.574 3.355 0 40 HGAB CCOC(=O)c1c(NC(=O)CSc2nc3nc(C)cc(C)n3n2)sc(C)c1C 3466993 UWWYTDXLZHFEDY-UHFFFAOYSA-N 419.532 3.327 0 40 HGAB CN(CC(=O)NCc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(F)cc1 3578876 ZGMITRDONMLAOO-UHFFFAOYSA-N 405.278 3.069 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cc(C)cc(C)c3)CC2)cc1 3611771 PSRCPCUBDUTXTJ-UHFFFAOYSA-N 402.516 3.351 0 40 HGAB CCc1cccc(NC(=O)CSc2nnc(Cc3ccc(OC)cc3)c(O)n2)c1 4317367 MCKAZYFCDYTYMO-UHFFFAOYSA-N 410.499 3.470 0 40 HGAB COc1ccc([C@@H]2c3c([nH]c(=O)[nH]c3=O)Nc3ccc4ccccc4c32)c(OC)c1 4459147 RZXXSTGBGXHIRN-IBGZPJMESA-N 401.422 3.471 0 40 HGAB CCOc1ccccc1OC[C@@H](O)CN(C)C(=O)c1ccc(Br)cc1 4681056 OSBSRSCHDPALJT-INIZCTEOSA-N 408.292 3.360 0 40 HGAB COc1ccc(OCc2nnc(SCC(=O)Nc3cccc(F)c3)n2C)cc1 4947461 QWISYFCJDNIPMT-UHFFFAOYSA-N 402.451 3.273 0 40 HGAB CS(=O)(=O)N1CCCc2cc(NS(=O)(=O)c3ccc4ccccc4c3)ccc21 5099711 HQUWFDSHHUGNFY-UHFFFAOYSA-N 416.524 3.353 0 40 HGAB Cc1ccc(S(=O)(=O)Nc2ccc(-c3ccc(N4CCOCC4)nn3)cc2)s1 5144815 LNAWWBCVUGEIIN-UHFFFAOYSA-N 416.528 3.151 0 40 HGAB COc1ccc(S(=O)(=O)N2CCc3cc4c(cc3[C@@H]2C)OCCCO4)cc1OC 5428042 VQHWTRMLBYHCQJ-AWEZNQCLSA-N 419.499 3.173 0 40 HGAB Cc1ccc(NC(=O)[C@@H](C)OC(=O)C[C@@H](NC(N)=O)c2ccccc2Cl)cc1 5630202 OSTNAJHZICKBRO-CXAGYDPISA-N 403.866 3.318 0 40 HGAB COc1ccc(NC(=O)CN2CCCCCCC2)cc1S(=O)(=O)N1CCCCC1 5855026 YSJWZJBSYZULKL-UHFFFAOYSA-N 423.579 3.074 0 40 HGAB Cc1cc(C)n2nc(C(=O)N[C@@H](Cc3ccccc3)c3nc4ccccc4[nH]3)nc2n1 5988363 JLXHXYSFDLDLLG-IBGZPJMESA-N 411.469 3.331 0 40 HGAB C[C@H](SC(=S)N(C)C)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 6832145 PAJZGDBJDUNGQN-NSHDSACASA-N 421.510 3.449 0 40 HGAB CCOC(=O)C1=C(N)Oc2c(c(=O)[nH]c3ccccc23)[C@H]1c1ccc(OCC)cc1 7343694 LIKMHJLCFVPPNX-QGZVFWFLSA-N 406.438 3.185 0 40 HGAB COc1ccc(OC)c(-c2csc(NC(=O)[C@@H]3CS[C@@]4(C)CCC(=O)N34)n2)c1 7757658 OCQAGXPYYYTJRZ-LIRRHRJNSA-N 419.528 3.220 0 40 HGAB O=C(Oc1ccc2ccc(=O)oc2c1)c1cccc(S(=O)(=O)N2CCCCC2)c1 7802403 ZZRWYALZOPRGBH-UHFFFAOYSA-N 413.451 3.187 0 40 HGAB CCn1c(SCC(=O)NCc2ccc(OC)cc2)nnc1-c1cccc(OC)c1 8312141 SLFMZLAROUEVLN-UHFFFAOYSA-N 412.515 3.391 0 40 HGAB O=C(NC[C@H]1COc2ccccc2O1)c1cccc(NS(=O)(=O)c2ccccc2)c1 8725724 LMFITHQLIFENFZ-SFHVURJKSA-N 424.478 3.057 0 40 HGAB CCOC(=O)c1cc(NC(=O)c2ccccc2OC)c(=O)n2c1oc1ccccc12 9029285 URJRWAQVWSBQBN-UHFFFAOYSA-N 406.394 3.483 0 40 HGAB COc1ccccc1CNc1nc(-c2cccnc2)nn1S(=O)(=O)c1ccccc1 9288947 WWVNFDNRTPKMEQ-UHFFFAOYSA-N 421.482 3.198 0 40 HGAB COc1ccccc1NC(=O)C1CCN(S(=O)(=O)CCCc2ccccc2)CC1 10008674 WVNLAHTUSACCRU-UHFFFAOYSA-N 416.543 3.308 0 40 HGAB O=C(C[C@@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1)NCc1ccc(F)cc1 11612831 OUUPEJVGFHRWRZ-SFHVURJKSA-N 408.470 3.215 0 40 HGAB Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)NC1CCCCC1)CC1(CCN(C)CC1)O2 12142638 IPKQBDHNEZFCNP-GOSISDBHSA-N 413.562 3.131 0 40 HGAB Cc1nnc(SCC(=O)Nc2ccccc2N2CCCC2=O)n1Cc1ccccc1 12209839 IILAXSVCPYLPGJ-UHFFFAOYSA-N 421.526 3.492 0 40 HGAB c1cnc(N2CCN(c3ncc(-c4cccs4)c(-c4nccs4)n3)CC2)nc1 12251478 XRDBVTMTHZJWRL-UHFFFAOYSA-N 407.528 3.445 0 40 HGAB CC(C)(C)OC(=O)N1CCN(C(=O)c2c[nH]c(=S)n2-c2ccc(F)cc2)CC1 12551458 WTFPXATXAPEDAB-UHFFFAOYSA-N 406.483 3.367 0 40 HGAB C[C@@H](c1ccc(F)cc1)N(C)C(=O)CN1CCC(C(=O)Nc2ccccc2O)CC1 12781304 RBJGECPNYVGIHS-INIZCTEOSA-N 413.493 3.401 0 40 HGAB O=C(COn1nnc2ccccc21)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 12800661 GUYOYTWNCRNSOX-IBGZPJMESA-N 421.844 3.484 0 40 HGAB CC(C)CCNc1nc(C(=O)OCc2cccc(S(=O)(=O)N(C)C)c2)cs1 12814569 SLINLJSKQMWAFR-UHFFFAOYSA-N 411.549 3.208 0 40 HGAB CN(Cc1ccccc1)C(=O)NCc1ccccc1S(=O)(=O)N1CCCCC1 12917743 WDSBRRNGMRIHNR-UHFFFAOYSA-N 401.532 3.203 0 40 HGAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)C(=O)c1cc(Cl)ccc1F 12920394 OBDUQLFWOWWMSB-GFCCVEGCSA-N 403.841 3.315 0 40 HGAB Cc1nc2c(=O)n(CC(=O)N3CCCc4ccccc43)nc(-c3ccco3)c2s1 13010482 HLZURDDGGVAEKW-UHFFFAOYSA-N 406.467 3.401 0 40 HGAB C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)N1C[C@H](C)C[C@@H](C)C1 13062936 WOVUWEXTIHITJF-KURKYZTESA-N 407.580 3.166 0 40 HGAB Cc1ccc(NS(=O)(=O)c2cc(C)n(S(=O)(=O)c3ccccc3)c2C)cc1 13585891 CLJIZMNJIFRBHL-UHFFFAOYSA-N 404.513 3.451 0 40 HGAB COc1ccccc1N1CCN(c2nc(C)c(Cc3cccc(C)c3)c(=O)[nH]2)CC1 13611442 QYTJIJHWUPTCBK-UHFFFAOYSA-N 404.514 3.313 0 40 HGAB CCCCOc1ccc(/C=c2/sc3nc(-c4ccncc4)nn3c2=O)cc1OCC 16729259 SIESPUIWLKGGQO-XMHGGMMESA-N 422.510 3.338 0 40 HGAB COc1ccc(-c2noc(CSc3nc4ccsc4c(=O)[nH]3)n2)cc1OC 16842920 FHHFVNTWPTXXNA-UHFFFAOYSA-N 402.457 3.344 0 40 HGAB O=C(NCCSCc1ccccc1F)c1cccc(S(=O)(=O)N2CCCC2)c1 17604475 FXPFLYXHDOLQCR-UHFFFAOYSA-N 422.547 3.273 0 40 HGAB Cc1cc(-c2cnc(N3CCCC3)nc2C2CCN(Cc3cn(C)nc3C)CC2)on1 19123269 PSLNUDSTXRWRCS-UHFFFAOYSA-N 421.549 3.462 0 40 HGAB CCCn1cnc2sc(C(=O)Nc3cc(C)nn3Cc3ccncc3)c(C)c2c1=O 19526129 VKMSLQIVRQMJJJ-UHFFFAOYSA-N 422.514 3.377 0 40 HGAB CN1C[C@@H](C(=O)Nc2ccc(F)cc2)C[C@@H]1C1CCN(C(=O)c2ccccn2)CC1 19587603 MZZPVTJYLKEASI-LAUBAEHRSA-N 410.493 3.032 0 40 HGAB Cc1nc([C@@H]2CCCN(Cc3ccccn3)C2)ncc1C(=O)NCc1ccccc1 19763530 IIUXONHOYKIPES-HXUWFJFHSA-N 401.514 3.490 0 40 HGAB CCOC(=O)[C@@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@@H]1c1ccc(C)cc1 20802022 FRQKGLUJGKDIED-VQTJNVASSA-N 407.470 3.106 0 40 HGAB CN(C)[C@@H](CNC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12)c1cccs1 21762971 CMPRPOCHPKRHFF-IBGZPJMESA-N 418.522 3.480 0 40 HGAB Cc1ccc(NC(=O)CN(c2ccc(Br)cc2)S(C)(=O)=O)cc1C 22273356 HJUQXHHYASMSAV-UHFFFAOYSA-N 411.321 3.471 0 40 HGAB COc1ccccc1CCCNC(=O)CN(c1ccc(C)c(Cl)c1)S(C)(=O)=O 22337560 GOHFZJYOCDOBDW-UHFFFAOYSA-N 424.950 3.172 0 40 HGAB COc1ccc(CCNC(=O)C2=NN(c3c(F)c(F)cc(F)c3F)C(=O)CC2)cc1 22369424 HYVLPFNNRVTSAK-UHFFFAOYSA-N 423.366 3.093 0 40 HGAB CC(C)Oc1ccc(N(CC(=O)N[C@@H](C)CCc2ccccc2)S(C)(=O)=O)cc1 22400008 XVEIJWCLKVWIJU-SFHVURJKSA-N 418.559 3.377 0 40 HGAB Cc1cc(C)c2cc(C(=O)Nc3ccc(NC(=O)CN4CCOCC4)cc3)[nH]c2c1 23013838 BIUBYINFRZOPNW-UHFFFAOYSA-N 406.486 3.308 0 40 HGAB CN(Cc1ccc(Cl)s1)C(=O)COC(=O)c1ccc2c(c1)NC(=O)CS2 23220546 FOQDNOAUCCVCOE-UHFFFAOYSA-N 410.904 3.261 0 40 HGAB CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)CCNC(=O)OC(C)(C)C 23602777 GNVNLFGOBLHDDP-UHFFFAOYSA-N 417.428 3.407 0 40 HGAB O=C(c1cc(=O)[nH]c2ccccc12)N1CCN(Cc2nc3ccccc3s2)CC1 23956869 JBOWVWFRUYFNGY-UHFFFAOYSA-N 404.495 3.096 0 40 HGAB CN(C)[C@@H](CNC(=O)c1ccc(I)cc1)c1cccs1 25608082 JFKRFUSPIWQCEV-ZDUSSCGKSA-N 400.285 3.385 0 40 HGAB O=C([C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1)N1CCCC1 26109906 AFKMLDLIXYURJS-AWEZNQCLSA-N 405.347 3.158 0 40 HGAB COc1ccc([C@H](CNC(=O)c2cc(-c3ccc(C)cc3)n[nH]2)N2CCOCC2)cc1 29895432 ZMMKTZHTUWHPIZ-QHCPKHFHSA-N 420.513 3.197 0 40 HGAB CCOC(=O)Cn1c(=O)n2nc(Cc3ccccc3)nc2c2c(CC(C)C)csc21 32071859 VRALDQQLBBHOLG-UHFFFAOYSA-N 424.526 3.458 0 40 HGAB O=C(NC1CCCCCC1)[C@H]1CCCN(c2ccc3nnc(C(F)(F)F)n3n2)C1 32088449 NEUVEGGNVAYOGA-ZDUSSCGKSA-N 410.444 3.199 0 40 HGAB O=C(Cc1csc(-c2ccc(F)cc2)n1)Nc1nc(CN2CCOCC2)cs1 32674623 BCNHRBSBJWSNSE-UHFFFAOYSA-N 418.519 3.419 0 40 HGAB CC1CCN(Cc2ccc(CNC(=O)c3ccc(S(C)(=O)=O)cc3)cc2)CC1 32769509 LFTPDVSBUBNMMA-UHFFFAOYSA-N 400.544 3.252 0 40 HGAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 33773615 HHVSTJMOGOAAQP-SNVBAGLBSA-N 403.287 3.308 0 40 HGAB COc1ccc(Nc2cc(C)nc(NCCNC(=O)c3sc(C)nc3C)n2)cc1 38488328 MMAXJGLIPMXAHI-UHFFFAOYSA-N 412.519 3.452 0 40 HGAB NS(=O)(=O)c1ccc(NC(=O)NC2(c3ccc(Br)cc3)CCC2)cc1 40152983 IUDRHZMIHOJXGH-UHFFFAOYSA-N 424.320 3.297 0 40 HGAB Cc1cc(N(C)C)nc(Nc2ccc(NS(=O)(=O)c3c(C)noc3C)cc2)n1 48985041 IMUQAAZUWINNBT-UHFFFAOYSA-N 402.480 3.000 0 40 HGAB COc1ccc(Br)cc1NS(=O)(=O)c1cc(C)c(C(=O)O)s1 55688614 CSGNGSLZAXZKMH-UHFFFAOYSA-N 406.279 3.327 0 40 HGAB O=C1CCCN1c1ccc(S(=O)(=O)NCCOc2cccc3ccccc23)cc1 56123823 FMUZYBZZKWLYMA-UHFFFAOYSA-N 410.495 3.324 0 40 HGAB CC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)NCc1cnc3ccccc3c1)C2=O 58159663 UAOHIXYYLWBACP-UHFFFAOYSA-N 422.529 3.378 0 40 HGAB Cc1cccc2c(=O)n(CCC(=O)N[C@@H](C)c3nc(-c4ccc(F)cc4)no3)cnc12 58180452 ZZDBGEURPHDVBL-AWEZNQCLSA-N 421.432 3.162 0 40 HGAB CN(C)C[C@@H](CNC(=O)Nc1cc2c(cc1Cl)OCCO2)[C@H](O)c1ccccc1 65479314 BPDDWYHHXDCHAE-FOIQADDNSA-N 419.909 3.144 0 40 HGAB CCOc1ccccc1NC(=O)Cn1ncn2nc(-c3ccc(CC)cc3)cc2c1=O 67208801 MYJHXXPZTIIKAW-UHFFFAOYSA-N 417.469 3.158 0 40 HGAB CC(=O)c1cccc(NC(=O)Cn2nnc(C(=O)Nc3ccc(C)c(F)c3)c2C)c1 67322962 MGTUGVNPLYHTDH-UHFFFAOYSA-N 409.421 3.128 0 40 HGAB O=C(NCc1ccc2c(c1)OCO2)[C@H](c1ccccc1)N1CCC(c2ncc[nH]2)CC1 72305647 JGHZNRZWHFLMHP-QFIPXVFZSA-N 418.497 3.376 0 40 HGAB CCn1cc(CN2CCc3c(nc(-c4ccccn4)[nH]c3=O)C2)c2cc(OC)ccc21 72336810 QHLNCRNQJYXYKS-UHFFFAOYSA-N 415.497 3.373 0 40 HGAB O=C(CN1CCC[C@@H]1c1cc(CCOc2cccc(Cl)c2)[nH]n1)N1CCCC1 72378316 OWMBBQYIWAGRQI-HXUWFJFHSA-N 402.926 3.444 0 40 HGAB CCCn1c(=O)c2ccccc2n(Cc2nc(-c3ccc(SC)cc3)no2)c1=O 73679256 ZNWKDSSQXALSQS-UHFFFAOYSA-N 408.483 3.393 0 40 HGAB CC(C)(C)OC(=O)N1CCN(Cc2nnnn2-c2ccccc2)C2(CCCCC2)C1 78970170 MPTDPCXSTYDRFM-UHFFFAOYSA-N 412.538 3.418 0 40 HGAB CCn1cc(CN2[C@H]3CC[C@H]2CC(O)(Cn2nc(C)ccc2=O)C3)c2ccccc21 100737910 PFVTWCGJXWLOCF-PMACEKPBSA-N 406.530 3.084 0 40 HGAB Cc1ccc(NC(=O)c2c(N3C(=O)[C@H]4[C@H](C3=O)[C@H]3CC[C@H]4O3)sc3c2CCC3)cc1 102637964 XAOGRONEMHVGDY-OHDICMOHSA-N 422.506 3.464 0 40 HGAB COc1ccc(-c2cc(C(F)(F)F)nc(S[C@H]3C[C@@H](O)[C@H]4OC[C@H]3O4)n2)cc1 102999464 VTGVURHSGJTLAM-NYTXWWLZSA-N 414.405 3.138 0 40 HGAB COc1ccc(-c2noc(CNC(=O)[C@@H](C)Oc3cccc(C)c3C)n2)c(OC)c1 219311382 KWFWWERHJYVQJE-OAHLLOKOSA-N 411.458 3.454 0 40 HGAB Cc1ccc(CNC(=O)CN(c2ccc(C(F)(F)F)cc2)S(C)(=O)=O)cc1 220042115 RAYGPRXTOAFBAB-UHFFFAOYSA-N 400.422 3.096 0 40 HGAB C[C@H](C(=O)NCCCc1ccccc1Cl)N(c1ccccc1F)S(C)(=O)=O 220313029 ZBRVFRPIGXCTFN-CQSZACIVSA-N 412.914 3.383 0 40 HGAB CCOc1cc(CNS(=O)(=O)c2cc(C(=O)OC)ccc2Cl)ccc1OC 223866410 UXINRBBFUMQRPL-UHFFFAOYSA-N 413.879 3.012 0 40 HGAB Cc1ccc(C)c(N(CCCC(=O)NCCOc2ccc(F)cc2)S(C)(=O)=O)c1 224151266 AQBVITLSYRDWMW-UHFFFAOYSA-N 422.522 3.184 0 40 HGAB COc1ccc(/C=C/C(=O)Nc2cnc(N3CCCCC3)nc2N(C)C)cc1OC 224357225 IQNJBRUTNSNGQI-PKNBQFBNSA-N 411.506 3.202 0 40 HGAB CC[Sn](O)(CC)O[Sn](Cl)(CC)CC 231984012 UKYRAOIXEOGYTH-UHFFFAOYSA-L 422.129 3.198 0 40 HGAB CN(Cc1ccc(F)cc1)C[C@]1(O)CCCN(C(=O)CC2(O)CCCCC2)CC1 257218678 DEBZKYDHWBGJNM-QHCPKHFHSA-N 406.542 3.086 0 40 HGAB COc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)N3CCC[C@H](C)C3)c2)cc1 260566810 XYTYYWAULSPWEZ-INIZCTEOSA-N 402.516 3.392 0 40 HGAB O=C1c2cccn2[C@@H]2CN(Cc3ccc4c(c3)OCO4)C[C@H]2N1Cc1cccs1 306142180 WSCAPGRWBMQPAT-RTBURBONSA-N 407.495 3.360 0 40 HGAB CCc1ccc(CN2C[C@@H](c3cn(C(C)C)cn3)[C@@]3(CCN(CCOC)C3=O)C2)cc1 306143082 XSRUACVSRXWUKU-WIOPSUGQSA-N 424.589 3.491 0 40 HGAB Cc1nnc(NC(=O)CCC(=O)OCC(=O)Nc2ccc(Cl)cc2Cl)s1 408691457 ZYSMYTGWTBLYQX-UHFFFAOYSA-N 417.274 3.054 0 40 HGAB Cc1cc(C)cc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2)c1 409137916 XFERTUVUJIBDII-OAHLLOKOSA-N 400.862 3.492 0 40 HGAB COCCNC(=O)CSc1nnc(Cc2ccccc2)n1-c1ccc(C)c(C)c1 409202834 SZPWTJHPZBDFBL-UHFFFAOYSA-N 410.543 3.330 0 40 HGAB COC(=O)c1cc(NC(=O)CN(c2cccc(C)c2C)S(C)(=O)=O)ccc1Cl 409272185 PFSXSEWCGKKTFF-UHFFFAOYSA-N 424.906 3.148 0 40 HGAB COc1ccc(C(=O)Nc2ccc(-c3nc(=O)cc(C)[nH]3)cc2)cc1-c1ccnn1C 511044147 OHBIDBNRIXOTCQ-UHFFFAOYSA-N 415.453 3.407 0 40 HGAB O=C1c2ccccc2C(=O)N1[C@@H]1CCCC[C@@H](NCc2nnc3n2CCCCC3)C1 533549924 KOGSQAMXAGJWMJ-IAGOWNOFSA-N 407.518 3.092 0 40 HGAB COCc1nc2n(n1)CCC[C@H]2NC(=O)[C@@H]1C[C@]12CCOc1ccc(C(C)C)cc12 583621429 IXYGBZAHHIELNA-IXFSTUDKSA-N 410.518 3.239 0 40 HGAB O=S(=O)(c1ccccc1Br)N1CC[C@@H](n2cnc3ccccc32)C1 585149352 WJPJTVUWSMDDPL-CYBMUJFWSA-N 406.305 3.435 0 40 HGAB O=C(CCn1ccnc1)N1CCOCCOc2ccc(F)cc2Cc2cccc(c2)C1 643581929 GKNUHQQIOIVMNR-UHFFFAOYSA-N 423.488 3.441 0 40 HGAB CS(=O)(=O)N1CCC[C@@H](c2nnc3sc(/C=C/c4cccc(Cl)c4)nn23)C1 1501040069 ABXIXBIDTQKLLD-SBDDDAINSA-N 423.951 3.149 0 40 HGAB COc1ccc(Cn2c([C@@H]3CCCOC3)nnc2N2CCCC2)cc1OC(F)F 1697454677 WPYAIAGJUNOGOO-OAHLLOKOSA-N 408.449 3.431 0 40 HGAB CN(c1ccccn1)C1CCN(S(=O)(=O)c2ccccc2OC(F)(F)F)CC1 1889213039 BMGWBMOEQWESEJ-UHFFFAOYSA-N 415.437 3.270 0 40 HGAB O=C(Cn1cnc2ccccc21)N1CC[C@@H]2CN(c3cc(C(F)(F)F)ccn3)C[C@@H]21 2087162959 HKTKSDWALXBEIN-KDOFPFPSSA-N 415.419 3.187 0 40 HGAB CCc1cc(=O)oc2c(C)c(O[C@@H](C)C(=O)N[C@H](C(=O)O)c3ccccc3)ccc12 2093476 YJFDFURMBSVLEB-XOBRGWDASA-N 409.438 3.373 0 40 HGAB biogenic COc1cccc(NC(=O)[C@H](OC(=O)CNC(=O)c2ccccc2)c2ccccc2)c1 3280317 LFMIABXSAFZOTM-JOCHJYFZSA-N 418.449 3.348 0 40 HGAB CCOC(=O)c1[nH]c(C)c(C(=O)OCc2nc3ccc(Cl)cc3n2CCO)c1C 3426207 UDEISWJSLFEBIL-UHFFFAOYSA-N 419.865 3.161 0 40 HGAB COc1ccc(CNS(=O)(=O)c2c(F)cc(F)cc2Br)cc1OC 3432797 SELPILUBJUAHAO-UHFFFAOYSA-N 422.247 3.223 0 40 HGAB CC(C)(C)[C@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)N3CCOCC3)c2C1 3464984 LMXPBKSBRLOXHA-INIZCTEOSA-N 410.514 3.401 0 40 HGAB COCCCNC(=S)N(Cc1cccnc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O 4127016 MFVAKNMSTZVHKW-UHFFFAOYSA-N 424.570 3.453 0 40 HGAB Cc1cccc(OC(=O)C[C@@H]2CS(=O)(=O)C[C@H]2CC(=O)Oc2cccc(C)c2)c1 4159589 YGVBGNLVITWKAE-QZTJIDSGSA-N 416.495 3.255 0 40 HGAB CC(=O)N[C@@H](CC(=O)OCC(=O)N1CCC(Cc2ccccc2)CC1)c1ccccc1 4220239 MXCVSQRDQNTZIR-QHCPKHFHSA-N 422.525 3.278 0 40 HGAB CCOC(=O)c1c(SCC(=O)Nc2ccc(C(F)(F)F)cc2)nc(=O)[nH]c1C 4317580 GNJWTFYRSWCVFC-UHFFFAOYSA-N 415.393 3.005 0 40 HGAB COC(=O)c1cc(Nc2ncnc3c2cnn3-c2cccc(C)c2)cc(C(=O)OC)c1 4658092 YGXDNEZGAXDBRI-UHFFFAOYSA-N 417.425 3.441 0 40 HGAB CCCc1nnc(SCC(=O)Nc2ccccc2I)o1 4943079 CFQHNRQBPSADEV-UHFFFAOYSA-N 403.245 3.358 0 40 HGAB COc1ccc(S(=O)(=O)N[C@H]2C[C@H]3CC[C@@H]2C3)cc1C(=O)N1CCCCCC1 4999268 ABMUKSQNQMBGAN-FCEWJHQRSA-N 406.548 3.178 0 40 HGAB O=C(Cn1nc(-c2ccc(Br)cc2)ccc1=O)Nc1ccccc1F 5398021 QPJPOSVLRGKQPK-UHFFFAOYSA-N 402.223 3.451 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(N(C)C)c(NC(=O)c2ccc(OC)cc2)c1 5932977 AKNPCKZCYAVSHR-UHFFFAOYSA-N 405.520 3.044 0 40 HGAB CCOC(=O)CCCNC(=O)CSc1nnc(-c2ccc(OC)cc2)n1C(C)C 6045395 WBAWYKOJHGKNML-UHFFFAOYSA-N 420.535 3.086 0 40 HGAB Cc1ccc2c(COC(=O)c3cccc(S(=O)(=O)N(C)C)c3)cc(=O)oc2c1C 6384630 IFFYAWJPENOQFA-UHFFFAOYSA-N 415.467 3.017 0 40 HGAB O=C(COC(=O)c1ccc(C(=O)c2ccccc2)cc1)NC(=O)NCc1ccccc1 6552008 FYQFXUDBWZLFLG-UHFFFAOYSA-N 416.433 3.100 0 40 HGAB CC[C@@H](C)c1ccccc1N1C[C@@H](C(=O)Nc2ccc(-n3cnnn3)cc2)CC1=O 6553465 CCNPOJSKXBOUBY-CVEARBPZSA-N 404.474 3.167 0 40 HGAB CCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(C)cc2)c(N2CCCCC2)s1 6751864 NOVQTTTYTCXGHA-UHFFFAOYSA-N 414.574 3.068 0 40 HGAB C[C@H](Sc1nc2ccccc2c(=O)n1Cc1cccnc1)C(=O)NC1CCCC1 6980994 LNEIFUZTIJIJOP-HNNXBMFYSA-N 408.527 3.379 0 40 HGAB Cc1cccc(N2CCN(C(=O)[C@H](NC(=O)Cc3ccccc3)C(C)C)CC2)c1C 7777530 QOKTWVNPJLNZGY-XMMPIXPASA-N 407.558 3.336 0 40 HGAB COc1ccc([C@H](CNC(=O)c2cccc(N3CCCC3=O)c2)N2CCCC2)cc1 8327858 GFOXYDJVTYHOEZ-QFIPXVFZSA-N 407.514 3.389 0 40 HGAB CC(=O)c1cccc(NC(=O)CSc2ccc(S(=O)(=O)N3CCCC3)cc2)c1 10010137 FHFHWIKCTIUTKD-UHFFFAOYSA-N 418.540 3.405 0 40 HGAB C[C@@H](OC(=O)[C@H]1CC(=O)N(Cc2ccccc2Cl)C1)C(=O)NC1CCCCC1 12092652 WAQUQUJLNLPKCS-ZBFHGGJFSA-N 406.910 3.069 0 40 HGAB Cn1cc([C@@H](O)CN2CCC(O)(Cn3cnc4ccccc43)CC2)c2ccccc21 12134903 LDQZDEGBXIXXDK-QHCPKHFHSA-N 404.514 3.089 0 40 HGAB COc1ccc(CC(=O)N2CCCC[C@H]2c2cc3nc(C)cc(O)n3n2)cc1OC 12161000 LURRFAABVKSFPU-KRWDZBQOSA-N 410.474 3.057 0 40 HGAB O=C(NCc1ccc(C(=O)N2CCCCC2)cc1)c1cccc(CN2CCCC2=O)c1 12781272 TYSIEISZDVKRDG-UHFFFAOYSA-N 419.525 3.365 0 40 HGAB CCCc1ccc(S(=O)(=O)N[C@@H](CC(=O)O)c2ccc(OC)c(OC)c2)cc1 12785049 ZPBIFUQQEOLALB-KRWDZBQOSA-N 407.488 3.151 0 40 HGAB Cc1cccc(NC(=O)[C@H](C)OC(=O)CCC(=O)N2CCC(c3ccccc3)=N2)c1 12811459 IDCGTFOIDJEGDV-KRWDZBQOSA-N 407.470 3.282 0 40 HGAB COC(=O)c1ccc(Cl)c(NC(=O)[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)c1 12918933 ONGBXBVEQMKFJT-CYBMUJFWSA-N 402.834 3.127 0 40 HGAB Cc1c(Cl)cccc1NC(=O)CNC(=O)[C@@H]1CC(=O)N([C@@H](C)c2ccccc2)C1 12919684 MLDUSTUFMLXWPM-DOTOQJQBSA-N 413.905 3.313 0 40 HGAB CCC[C@H](C)NC(=O)[C@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1 13682299 WIBBEVGMMATGCI-OXJNMPFZSA-N 402.516 3.089 0 40 HGAB COc1ccc(NC(=O)NCCCn2nc(-c3ccccc3)ccc2=O)c(OC)c1 13800377 MVCXELZEEORMBT-UHFFFAOYSA-N 408.458 3.139 0 40 HGAB C[C@]1(c2ccc(Br)cc2)NC(=O)N(CN2CCc3sccc3C2)C1=O 14310188 LWENRILSCZEQAK-GOSISDBHSA-N 420.332 3.293 0 40 HGAB O=C1C[C@H](C(=O)Nc2ccccc2C(F)(F)F)n2nc(-c3ccccc3)nc2N1 14607321 MCKJHPPORYEMJU-CQSZACIVSA-N 401.348 3.486 0 40 HGAB CCCCOC(=O)[C@H](C)OC(=O)CCCCC(=O)O[C@H](C)C(=O)OCCCC 17004511 SSDOIUULJQLMTQ-IYBDPMFKSA-N 402.484 3.097 0 40 HGAB CN(C)C(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)CN(C(=O)C(C)(C)C)CCO1 19081476 MQNRRNIVCJHDOM-DEOSSOPVSA-N 409.530 3.023 0 40 HGAB CC(C)N1CCC(C(=O)N2CCC[C@H]2c2nc(N(C)C)ncc2-c2ccncc2)CC1 19447775 UFENPHRPVIQSKJ-NRFANRHFSA-N 422.577 3.389 0 40 HGAB Cc1nc(N)ncc1C(=O)N[C@H](CCc1ccccc1)c1ccc2c(c1)OCCO2 19655427 CSNPSOHCJOYRLJ-LJQANCHMSA-N 404.470 3.242 0 40 HGAB COCc1ccc(C(=O)N2CCCC[C@@H]2c2nc3c(c(N(C)C)n2)CN(C)CC3)cc1 19710282 MDCPPCNGHWLZRR-OAQYLSRUSA-N 423.561 3.044 0 40 HGAB O=C(Cn1cc(C(=O)NCC2(c3ccccc3)CCCC2)ccc1=O)NC1CCCC1 19750967 VTRQCNKYUJLSKP-UHFFFAOYSA-N 421.541 3.149 0 40 HGAB CCCC(=O)N1CCC(c2ncc(C(=O)NCc3ccccc3OC)c(C)n2)CC1 19766550 OQEPOGFSBXNKRI-UHFFFAOYSA-N 410.518 3.230 0 40 HGAB O=C(NC[C@H](c1ccc2c(c1)OCO2)N1CCOCC1)c1ccc(C(F)(F)F)cc1 19819793 SQZWOXKNYQFBTC-QGZVFWFLSA-N 422.403 3.237 0 40 HGAB CCOC(=O)c1ccc(C)c(NC(=O)c2cc(NS(C)(=O)=O)ccc2Cl)c1 20456097 SWKPXQYSSQINJI-UHFFFAOYSA-N 410.879 3.449 0 40 HGAB O=C(C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1)N1CCc2ccccc21 20481166 CEJBMQSBVVYXBA-UHFFFAOYSA-N 418.946 3.471 0 40 HGAB CN(C)S(=O)(=O)N(CC(=O)Nc1cc(Cl)ccc1Cl)c1ccccc1F 20483507 GWSDVXQLLGFIJH-UHFFFAOYSA-N 420.293 3.384 0 40 HGAB O=C1N(c2ccc(OC(F)(F)F)cc2)C(O)=N[C@]1(NCc1ccco1)C(F)(F)F 20506593 XVEBVCQIGMURLG-AWEZNQCLSA-N 423.269 3.487 0 40 HGAB COC(=O)Cc1c(C)c2cc(Cl)c3c(c2oc1=O)CN(Cc1cccnc1)CO3 20590807 FMKUFWCYMMSUAC-UHFFFAOYSA-N 414.845 3.217 0 40 HGAB Cc1sc(NS(=O)(=O)c2ccc(Cl)cc2)nc1C(=O)NCc1ccccn1 20722608 MHYKZHRBFDXQAZ-UHFFFAOYSA-N 422.919 3.231 0 40 HGAB CC(C)C(=O)N1CCN(c2nc3sc4c(c3c(=O)n2C(C)C)CCCC4)CC1 20725448 FPURVLUXPSKXDC-UHFFFAOYSA-N 402.564 3.222 0 40 HGAB CCOc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3c(C)cccc3C)CC2=O)cc1 21094178 VBQPGQJRXFZZMG-KRWDZBQOSA-N 410.470 3.237 0 40 HGAB CCc1ccc(Nc2nnc(S[C@@H](C)C(=O)N3CCN(CC)CC3)s2)cc1 21746661 RSSZHTHPSRBBPK-AWEZNQCLSA-N 405.593 3.489 0 40 HGAB O=C(NCC(=O)OCc1cc(Cl)c2c(c1)OCCCO2)NCc1ccccc1 22003380 UZHFTWOVSKMRFO-UHFFFAOYSA-N 404.850 3.044 0 40 HGAB CCOC(=O)C1CCN([C@@H](c2ccc(C)cc2)c2sc3ncnn3c2O)CC1 22609236 NBSNAAIPIWRFCU-INIZCTEOSA-N 400.504 3.169 0 40 HGAB O=C(CSc1nnc(N2CCN(c3ccccc3)CC2)s1)NC1CCCC1 23140104 DMWOPBKJPRSMQO-UHFFFAOYSA-N 403.577 3.016 0 40 HGAB COC(=O)c1c(NC(=O)CN2C(=O)COc3ccc(Cl)cc32)sc(C)c1C 23442518 NFFAERUUZWTBLB-UHFFFAOYSA-N 408.863 3.169 0 40 HGAB CC(C)(C)c1ccc(S(=O)(=O)N[C@@H](CN2CCOCC2)c2ccccc2)cc1 24294477 CIPAEYUTOAPEBL-NRFANRHFSA-N 402.560 3.336 0 40 HGAB O=C(NCc1ccccc1Cn1cccn1)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 24625529 WQLSWNJPCBDVAJ-OAQYLSRUSA-N 420.488 3.239 0 40 HGAB CC(C)c1c(C(=O)N2CCN(c3cnccn3)CC2)cnn1-c1cccc(Cl)c1 25344777 CTXJNKDAAYMIIR-UHFFFAOYSA-N 410.909 3.402 0 40 HGAB Cc1cc(NC(=O)CN2CCN(C(=O)/C=C/c3cc(Cl)cc(Cl)c3)CC2)no1 26048693 HBLIYCBKYQSETD-NSCUHMNNSA-N 423.300 3.086 0 40 HGAB COC(=O)c1ccccc1NC(=O)CSc1nnc(/C=C/c2ccccc2)c(O)n1 27300713 MBHMDZZSOSDMET-VAWYXSNFSA-N 422.466 3.265 0 40 HGAB O=c1nc(SCc2ccc(Cl)cc2)c2c(n1[C@@H]1CCS(=O)(=O)C1)CCC2 27795615 UTTHLWHHZMGRGA-CQSZACIVSA-N 410.948 3.037 0 40 HGAB O=C(NCCCSc1ccccc1)[C@@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 31553362 STULBKCWGKWDSE-RBUKOAKNSA-N 418.559 3.267 0 40 HGAB COC(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N(Cc2ccccc2)C12CCCC2 32091148 NEXZGTPVUWIIDX-OAQYLSRUSA-N 406.482 3.028 0 40 HGAB COc1ccc([C@H]2CCCN2C(=O)CN2C(=O)CCOc3ccccc32)c(OC)c1 32744740 SWLPWNBOFNRWTO-GOSISDBHSA-N 410.470 3.183 0 40 HGAB CS(=O)(=O)c1ccc(S(=O)(=O)N(Cc2c(F)cccc2Cl)C2CC2)cc1 32759308 ISQYDMNBHVXFEW-UHFFFAOYSA-N 417.911 3.236 0 40 HGAB O=C1c2cc(Cl)c(Cl)cc2C(=O)N1CN(C[C@H]1CCCO1)C[C@H]1CCCO1 32935455 YQSNHOHNOANYNJ-CHWSQXEVSA-N 413.301 3.207 0 40 HGAB Cc1cc(C)cc(NC(=O)Cn2nc3c(Sc4ccccc4)nccn3c2=O)c1 33309403 UICYPXRJXWYKNO-UHFFFAOYSA-N 405.483 3.298 0 40 HGAB COc1cc(-c2cc(-n3c(=S)[nH]c4ccccc4c3=O)[nH]n2)cc(OC)c1OC 35170220 MGPDZUWGMAYHLU-UHFFFAOYSA-N 410.455 3.464 0 40 HGAB C[C@@H](Nc1ncnc2[nH]cnc12)c1nc2ccc(F)cc2c(=O)n1-c1ccccc1 35983686 DOCINCLJNAXZQF-GFCCVEGCSA-N 401.405 3.364 0 40 HGAB C[C@H](NC(=O)CN1C[C@H](C(=O)N2CCCCC2)Oc2ccccc21)c1cccs1 36386115 PLGYUYOEOSKLCC-QFBILLFUSA-N 413.543 3.205 0 40 HGAB C[C@@H]1CCCN(Cc2ccccc2CNC(=O)CCc2nc3ccccc3c(=O)[nH]2)C1 40112326 FWDPIIRVFZKALQ-GOSISDBHSA-N 418.541 3.404 0 40 HGAB CCn1c(=O)c2ccccc2n(CC(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)c1=O 40117497 XYXKLXBYRVTZGY-JOCHJYFZSA-N 423.488 3.370 0 40 HGAB CC[C@H](Oc1cc(C)ccc1C)C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21 44844011 NOLZQPVWPISCMO-FQEVSTJZSA-N 416.543 3.300 0 40 HGAB Cc1cc2nn(CC(=O)Nc3ccccc3C)c(=O)n2c(Nc2ccc(F)c(C)c2)n1 49410709 HYAPDVBBAUKJQR-UHFFFAOYSA-N 420.448 3.338 0 40 HGAB Cc1ccc(C)c(-c2cc3c(=O)n(CC(=O)Nc4c(C)cccc4C)ncn3n2)c1 51317024 PNFRMTJJEDBLSD-UHFFFAOYSA-N 401.470 3.430 0 40 HGAB C[C@H](NC(=O)c1ccccc1Cl)C(=O)NC[C@H]1CCN(c2ccc(F)cc2)C1 57064856 GBZUHCBBOFYDEP-LSDHHAIUSA-N 403.885 3.240 0 40 HGAB OC1CCN([C@H](c2ccc3ncccc3c2)c2nnnn2CCc2ccccc2)CC1 57675077 INNHOOLWWLKXHE-HSZRJFAPSA-N 414.513 3.010 0 40 HGAB Cc1ccc(NC(=O)CN2CCN(c3ccccc3O)CC2)c(Br)c1 58120484 QXJLEASXQLSRBE-UHFFFAOYSA-N 404.308 3.224 0 40 HGAB Cc1ccc(C(=O)Cn2nc3n(Cc4ccccc4)c(=O)c4ccccc4n3c2=O)cc1 64860575 DRXAMEJECDTSKE-UHFFFAOYSA-N 424.460 3.051 0 40 HGAB Cc1ccc(C)c(C(=O)NCCN2C(=O)S/C(=C/c3ccc4c(c3)OCO4)C2=O)c1 68713660 RHVLMUPFUTUNQA-YBFXNURJSA-N 424.478 3.498 0 40 HGAB O=S(=O)(c1ccccc1Cn1ccnc1)N(Cc1cccnc1)Cc1ccco1 95993336 QXQVBYVZYSKQDQ-UHFFFAOYSA-N 408.483 3.311 0 40 HGAB Cc1ccc(C(=O)N2CCC3(CC2)C[C@@H](CC(=O)N2CCOCC2)c2ccccc23)o1 96052840 ZTWUVMQOWHAQNF-LJQANCHMSA-N 422.525 3.498 0 40 HGAB COc1cccc2ccc(CN3[C@@H]4CC[C@@H]3c3cnc(N5CCOCC5)nc3C4)nc12 100752863 INLDDWIUSMRWLT-WIYYLYMNSA-N 417.513 3.132 0 40 HGAB O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)C12CC3C[C@H](CC[C@@H](C3)C1)C2 101024423 HGFPVKWYWMJRGW-TWTVVONZSA-N 418.559 3.253 0 40 HGAB O=C1[C@@H]2[C@@H](c3ccc(F)cc3)N3CCCN3[C@H]2C(=O)N1c1cccc(C(F)(F)F)c1 102695347 RASNOJDOUWQTMT-KZNAEPCWSA-N 419.378 3.380 0 40 HGAB CCOc1ccc(C(F)(F)F)cc1NC(=O)N1CCN(C[C@H](C)O)[C@H](CC)C1 107514320 KXPVXTLLUPVLAV-DZGCQCFKSA-N 403.445 3.413 0 40 HGAB O=C(Nc1cnn(C[C@@H]2COc3ccccc3O2)c1)C1(c2ccccc2)CCOCC1 206842461 QJOLHVGIIUNRLQ-HXUWFJFHSA-N 419.481 3.410 0 40 HGAB C[C@H](C(=O)NCCc1ccccc1)N(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 220188281 CPIJZTTZLWNBJE-CQSZACIVSA-N 414.449 3.219 0 40 HGAB CC(C)Oc1cccc(CCCNC(=O)[C@H](c2ccccc2)N(C)S(C)(=O)=O)c1 222771446 VSXFWYQKSRRRST-NRFANRHFSA-N 418.559 3.155 0 40 HGAB COc1ccc(CCNC(=O)[C@H](C)N(Cc2ccc(Cl)cc2)C(C)=O)cc1OC 222822648 NCAJFDLOTSPPTK-HNNXBMFYSA-N 418.921 3.453 0 40 HGAB COc1ccc(OC)c([C@H](C)NC(=O)[C@@H](C)N(c2ccc(C)cc2)S(C)(=O)=O)c1 224631631 CDBCKNJWELZUOE-JKSUJKDBSA-N 420.531 3.044 0 40 HGAB CS(=O)(=O)N(CC(=O)NCCSc1ccc(Cl)cc1)Cc1ccccc1 225430113 OHXXLXKWFXHTJH-UHFFFAOYSA-N 412.964 3.010 0 40 HGAB Cn1cc2c(n1)[C@H](C(=O)NCCc1ccc(F)cc1)CN(CCc1ccccc1)C2 257206584 BECOIEVKJZUBDI-JOCHJYFZSA-N 406.505 3.060 0 40 HGAB CCS(=O)(=O)N1C[C@H](C(=O)NCc2ccc3ccccc3c2)Oc2ccccc21 260840606 WTQJYOIODCGMLH-OAQYLSRUSA-N 410.495 3.073 0 40 HGAB CN([C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)c1ccccc1)S(C)(=O)=O 260902740 VKDATVHWSROIDU-HNNXBMFYSA-N 402.394 3.156 0 40 HGAB O=C(c1ccc2c(c1)OCCCO2)N1CCO[C@]2(CCCC[C@@H]2N2CCCC2)C1 306127739 GFXDHOOYKCPMKA-JTHBVZDNSA-N 400.519 3.098 0 40 HGAB O=C(Nc1cncc2ccccc12)C(=O)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1 540870232 MABHAYZEIJDGQR-AWEZNQCLSA-N 412.852 3.361 0 40 HGAB O=C(CNS(=O)(=O)c1c(F)cccc1F)N1CC2(CCCC2)c2ccccc21 559260618 OEACLAIKVZCJID-UHFFFAOYSA-N 406.454 3.102 0 40 HGAB C[C@H]1CCCN(C[C@@H]2CC3(CCN(C(=O)Cc4ccc(N(C)C)cc4)CC3)CO2)C1 585104477 OZZNCBPKNORVDN-REWPJTCUSA-N 413.606 3.425 0 40 HGAB Cc1nc(Nc2ncccc2C)cc([C@H]2CCCN2C(=O)/C=C/c2ccnn2C)n1 585293071 WBFMVQZALWVIDS-CSHXORCISA-N 403.490 3.342 0 40 HGAB CC[C@@H](C(=O)Nc1cnn(Cc2ccccn2)c1)n1nnc(-c2ccc(Cl)cc2)n1 624164216 YPSGHOISGITFRA-SFHVURJKSA-N 422.880 3.223 0 40 HGAB O=S(=O)(NC[C@H](O)c1ccc(-c2cccs2)cc1)c1ccc2c(c1)CCO2 1775977707 KLOMHXVEHLFPTH-SFHVURJKSA-N 401.509 3.362 0 40 HGAB COc1ccc(C(=O)N2CCc3c(COCc4ccncc4)cncc3C2)c(OC)c1 2055751402 SZUVHAKAVRANFP-UHFFFAOYSA-N 419.481 3.409 0 40 HGAB O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(I)cc1 1505766 VGUTZRAVPVWLCA-UHFFFAOYSA-N 408.239 3.380 0 40 HGAB O=C(Cn1nc(-c2ccc(Cl)cc2)c2ccccc2c1=O)NCc1cccnc1 2374304 LUYQCIGVBPBVKK-UHFFFAOYSA-N 404.857 3.428 0 40 HGAB Nn1c(SCC(=O)Nc2ccccc2-c2ccccc2)nnc1-c1cccnc1 2376301 CVRDQNKJSDNZOK-UHFFFAOYSA-N 402.483 3.452 0 40 HGAB O=C1CN(C(=O)COC(=O)CCCc2nc3ccccc3s2)c2ccccc2N1 2647480 RJVUILKLESHVOI-UHFFFAOYSA-N 409.467 3.148 0 40 HGAB COc1ccccc1/C=C/C(=O)OCC(=O)COC(=O)/C=C/c1ccccc1OC 3279812 CIMSUBUIPBUMDF-PHEQNACWSA-N 410.422 3.086 0 40 HGAB Cc1cccc(C(=O)Nc2ccccc2C(=O)OCC(=O)N2C[C@@H](C)O[C@H](C)C2)c1 3488834 VDRGKTIGRBAZAG-IAGOWNOFSA-N 410.470 3.040 0 40 HGAB O=C(OCCCc1cccnc1)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 5200945 GVTKKNQKJHPDRY-UHFFFAOYSA-N 408.907 3.309 0 40 HGAB CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)Nc2ncc(Cl)cc2Cl)c1C 5326312 TYZACJIBRYIILV-UHFFFAOYSA-N 414.245 3.306 0 40 HGAB C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)NCCc1ccc(Cl)cc1Cl)C2=O 5854846 OYPWSPAFWOVWQP-HXPMCKFVSA-N 412.317 3.153 0 40 HGAB Cc1cccc(Cn2c(=O)c3c(nc4n3C[C@H](C)CN4c3ccccc3)n(C)c2=O)c1 6276217 LJDDMMXRYUEYDY-QGZVFWFLSA-N 415.497 3.041 0 40 HGAB COc1ccccc1OCC(=O)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1 6548596 CAAGTANSRBTESC-UHFFFAOYSA-N 418.515 3.277 0 40 HGAB CC(=O)c1cc2c(cc1NC(=O)COCc1cc(-c3cccs3)on1)OCO2 6876567 SQJVZHKSOLQWCQ-UHFFFAOYSA-N 400.412 3.490 0 40 HGAB O=C(CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)NCC1CCCCC1 6974916 LXBKSCKAIBZGRY-UHFFFAOYSA-N 405.498 3.179 0 40 HGAB CCCN(Cc1nnc(-c2cccs2)o1)C(=O)CSc1nc(C)cc(N)n1 7094482 WHUHFDXVPDGFQP-UHFFFAOYSA-N 404.521 3.010 0 40 HGAB CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N[C@@H](C)CC)c(C)c2)cc1 7362010 HLMIXKODFHAVFF-INIZCTEOSA-N 420.531 3.488 0 40 HGAB COc1ccc(CN(C)C(=O)[C@@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)cc1 7871838 YIXUZUBNGXXTAR-CQSZACIVSA-N 410.923 3.162 0 40 HGAB O=C(NCCc1ccco1)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 8133810 QEKOOFLORAGIAZ-UHFFFAOYSA-N 412.511 3.192 0 40 HGAB Cc1ccc(OCCNC(=O)CCNC(=O)c2ccc(Br)cc2)cc1 8237421 GRINDRDNLTXWIP-UHFFFAOYSA-N 405.292 3.073 0 40 HGAB C[C@H]1Cc2ccccc2N1C(=O)CN1C(=O)N[C@](C)(c2cc3ccccc3o2)C1=O 8316410 IJEKWKVJLIFUDP-LFVRLGFBSA-N 403.438 3.178 0 40 HGAB Cc1nc2ccccc2c(=O)n1CC(=O)N[C@H](c1ccc2c(c1)OCCCO2)C(C)C 8510571 YYROQJMNBKKVNP-QHCPKHFHSA-N 421.497 3.380 0 40 HGAB COc1cc(C)c(NC(=O)CCCN(C)S(=O)(=O)c2ccc(F)cc2)cc1OC 8770198 CVAHVUMLEZPHFX-UHFFFAOYSA-N 424.494 3.191 0 40 HGAB O=C(Nc1ccc(S(=O)(=O)NCc2ccncc2)cc1F)c1ccc(F)cc1 8810813 UVWWTYPPIKXWPL-UHFFFAOYSA-N 403.410 3.091 0 40 HGAB COCCOc1ccc(C(F)(F)F)cc1NC(=O)Cn1cnc2ccccc2c1=O 8987414 CNINSASCURCAIO-UHFFFAOYSA-N 421.375 3.079 0 40 HGAB Cc1c(NC(=O)CSc2nnc(C3CC3)n2C2CC2)c(=O)n(-c2ccccc2)n1C 9514709 KPVHKAIUQNTDMB-UHFFFAOYSA-N 424.530 3.019 0 40 HGAB CCCN1C(SCC(=O)Nc2ccc(OC)cc2)=NS(=O)(=O)c2ccccc21 9530259 WXAWNOYQYSLEDK-UHFFFAOYSA-N 419.528 3.342 0 40 HGAB CCOC(=O)C1=C(COC(=O)c2cccc(C)c2C)NC(=O)N[C@H]1c1cccs1 9949868 QRPMLMAUGUZNBW-SFHVURJKSA-N 414.483 3.393 0 40 HGAB CCC[C@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(OC)c(Cl)c2)C1 9974708 LXWQQFZYWYGZRN-KBPBESRZSA-N 402.944 3.054 0 40 HGAB CC(=O)Nc1cccc(NC(=O)c2ccc(N3CCCCS3(=O)=O)cc2Cl)c1 11999213 VZSIGBYLRMTIND-UHFFFAOYSA-N 421.906 3.481 0 40 HGAB CC1(C)CS(=O)(=O)N(c2ccc(Cl)c(C(=O)NCCc3ccccc3)c2)C1=O 12003582 CEPXWSXFZZSXGA-UHFFFAOYSA-N 420.918 3.015 0 40 HGAB CC[C@H](Cn1nc(-c2ccc(F)c(F)c2)ccc1=O)NC(=O)Cc1ccccc1F 12141856 QKGMSZHWXCPPRT-MRXNPFEDSA-N 415.415 3.465 0 40 HGAB CCc1nnc(NC(=O)c2cc(-c3ccccn3)c(N3CCOCC3)s2)s1 12222270 CEGUCXMSQDKTNE-UHFFFAOYSA-N 401.517 3.313 0 40 HGAB Cc1cc(C)c2sc(N(CCCN3CCOCC3)C(=O)c3ccno3)nc2c1 12443832 AAXSUVQXTDBNQL-UHFFFAOYSA-N 400.504 3.270 0 40 HGAB CC(C)[C@@H](NC(=O)Nc1ccccc1)C(=O)Nc1ccc(CN2CCOCC2)cc1 12567112 BRMIAGCGEPMEHX-OAQYLSRUSA-N 410.518 3.304 0 40 HGAB Cc1ccc(NS(=O)(=O)c2ccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)cc1C 12605463 PGYIPXLJNPRFII-IAGOWNOFSA-N 402.516 3.354 0 40 HGAB C[C@H](OC(=O)[C@]12CCC(=O)N1c1ccccc1S2)C(=O)Nc1ccc(Cl)cn1 12789769 LJBDXADRBVTVMS-JEOXALJRSA-N 417.874 3.234 0 40 HGAB COc1ccc([C@@H]2CCCCCN2CC(=O)N2CCN(c3ccccn3)CC2)cc1 12912268 OVLKRBIZQIAQOJ-QFIPXVFZSA-N 408.546 3.356 0 40 HGAB Cc1ccc(C(=O)NCC(=O)N(C)CC(=O)Nc2c(Cl)cccc2Cl)s1 12930828 ZIRGTLOGWXFRMJ-UHFFFAOYSA-N 414.314 3.190 0 40 HGAB Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)NC[C@@H]1COc2ccccc2O1 13003124 FGHMBXNCNQSUFN-QGZVFWFLSA-N 416.481 3.388 0 40 HGAB CCOc1ccccc1NS(=O)(=O)c1ccc(Br)c(C(=O)O)c1 13346031 HLLBESBOSINVHE-UHFFFAOYSA-N 400.250 3.347 0 40 HGAB COc1ccc(S(=O)(=O)NCCCc2cccc(C)c2)cc1C(=O)N1CCCC1 13672670 WSJLQJFZHIIHOU-UHFFFAOYSA-N 416.543 3.151 0 40 HGAB O=C(NCc1cccnc1)c1ccc2nc(NS(=O)(=O)c3ccccc3)sc2c1 13693687 BSONMUUIZGDALJ-UHFFFAOYSA-N 424.507 3.422 0 40 HGAB CC(=O)c1cc(C(=O)N2CCC[C@H]2c2n[nH]cc2-c2ccnc(N(C)C)n2)cs1 19023124 XNGSJXPRJGHFIG-INIZCTEOSA-N 410.503 3.174 0 40 HGAB COc1ccccc1[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)c(F)c3)C(=O)[C@H]2N2CCCN12 19170000 HJYACQZTNOVVEN-OTWHNJEPSA-N 415.852 3.023 0 40 HGAB Cc1ccc2[nH]c(C)c(CCNC(=O)C[C@H]3NC(=O)N(C4CCCCC4)C3=O)c2c1 19220090 KGPOMOMLVKGJTO-HXUWFJFHSA-N 410.518 3.087 0 40 HGAB COc1cc(OC)c(OC)cc1CN[C@@H]1CCC(=O)N[C@H]1c1cc(F)cc(F)c1 19595018 UDOHPUFZBWOKHV-IERDGZPVSA-N 406.429 3.100 0 40 HGAB COc1cc2nc(C)n(CC(=O)N(C)Cc3ccc4c(c3)C[C@H](C)O4)c2cc1OC 19718839 STTPZEXGAITACQ-AWEZNQCLSA-N 409.486 3.344 0 40 HGAB COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)[C@@H](C)Oc1ccc(C)cc1 20457513 ZMKXPODANKFXJQ-OAHLLOKOSA-N 406.504 3.096 0 40 HGAB CCOc1ccc([C@H](C)NC(=O)CN(c2ccc(F)c(F)c2)S(C)(=O)=O)cc1 20485543 HUAZNCVSNYAAES-ZDUSSCGKSA-N 412.458 3.007 0 40 HGAB CC[C@H](Oc1ccccc1F)C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 20568004 JOYDRKICNAAJMF-SFHVURJKSA-N 400.450 3.056 0 40 HGAB O=C1COc2ccc(NC(=O)c3ccc(=O)n(Cc4ccccc4Cl)c3)cc2N1 22007284 BJGRSHBLHUJONU-UHFFFAOYSA-N 409.829 3.133 0 40 HGAB COc1ccc(-c2noc(CN3CCN(Cc4ccc(OC)c(F)c4)CC3)n2)cc1 22777122 GLDITLDUJODWEL-UHFFFAOYSA-N 412.465 3.211 0 40 HGAB O=C(Nc1ccccc1C(=O)NC1CCCC1)c1ccc(=O)n(Cc2ccccc2)n1 23053548 JGPSSTJGNVMBSI-UHFFFAOYSA-N 416.481 3.216 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(NC)c(NS(=O)(=O)/C=C/c2ccccc2)c1 24752118 HQYGYNYEBSYJCB-BUHFOSPRSA-N 423.560 3.171 0 40 HGAB CCCCc1ccc(N2C(=O)C[C@H](N(C)CC(=O)Nc3cccc(OC)c3)C2=O)cc1 25052325 KIWXAWPZQKMHHU-NRFANRHFSA-N 423.513 3.240 0 40 HGAB O=C(NCCC(=O)N1CCN(C/C=C/c2ccccc2)CC1)c1ccc(Cl)cc1 25606061 RROKNICYHAHMDM-QPJJXVBHSA-N 411.933 3.318 0 40 HGAB Cc1[nH]c2c(C)cc(Cl)cc2c1CCNC(=O)c1cnc2sccn2c1=O 28573160 RWHQVDDWPAKCJO-UHFFFAOYSA-N 400.891 3.480 0 40 HGAB O=S(=O)(c1ccc(F)cc1)N1CCN(Cc2csc(-c3ccco3)n2)CC1 29455433 XGIVGVPOSKQTKZ-UHFFFAOYSA-N 407.492 3.049 0 40 HGAB COC(=O)C[C@H](NC(=O)C[C@@H](NC(N)=O)c1ccccc1C)c1ccccc1Cl 30373102 MFGGVQALLZXAHH-MSOLQXFVSA-N 417.893 3.169 0 40 HGAB C[C@H](CC(=O)NCCNC(=O)c1ccc(Cl)c(Cl)c1)NC(=O)c1ccccc1 31767497 CSSUJVQWZIAMSX-CYBMUJFWSA-N 422.312 3.048 0 40 HGAB O=C(C[C@H]1CCS(=O)(=O)C1)NCc1cn(Cc2ccccc2)nc1-c1ccccc1 32893691 GZWYURZRGXRJAF-LJQANCHMSA-N 423.538 3.039 0 40 HGAB Cc1ccc(-c2cc(C(=O)NCCc3ccccc3)nn2[C@H]2CCS(=O)(=O)C2)cc1 33325546 YCXBSFLBXWDSCP-FQEVSTJZSA-N 423.538 3.191 0 40 HGAB CC(C)CNC(=O)c1ccccc1NC(=O)c1cc(NS(C)(=O)=O)ccc1Cl 38753437 GXIWKAWQEGETHZ-UHFFFAOYSA-N 423.922 3.350 0 40 HGAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)O2 38835049 IVVGIVGNXRAHIP-INIZCTEOSA-N 415.298 3.468 0 40 HGAB O=c1[nH]c2ccc(S(=O)(=O)Nc3cc(C(F)(F)F)ccc3-n3cccn3)cc2o1 40024731 TYSLPXCXNSOXKH-UHFFFAOYSA-N 424.360 3.126 0 40 HGAB CCN(CC)CCOc1ccccc1NC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 40104525 ULNQNVLFYOTSTO-UHFFFAOYSA-N 420.554 3.492 0 40 HGAB COc1ccc(CN(C(=O)CSc2nc3nc(C)c(C)c(C)n3n2)C2CC2)cc1 40119215 ABOQPMBJXIFMPO-UHFFFAOYSA-N 411.531 3.341 0 40 HGAB CC(C)Cn1c(=O)c2ccccc2n(CC(=O)Nc2ccccc2C(F)(F)F)c1=O 40478570 FQVPFECDIJAXGE-UHFFFAOYSA-N 419.403 3.477 0 40 HGAB Cc1ccc([C@H](C)NC(=O)[C@@H]2CCN(S(C)(=O)=O)c3ccccc3O2)cc1C 44856430 FFFYVAIVTYNRJM-JXFKEZNVSA-N 402.516 3.098 0 40 HGAB O=C(CCC(=O)c1ccc2c(c1)OCCO2)NCc1cccc(Br)c1 45365598 RCYPZHAQLKOOOR-UHFFFAOYSA-N 404.260 3.500 0 40 HGAB CCn1cnnc1CNC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C1CC1 47200517 DCXZKTSUGCWETH-UHFFFAOYSA-N 404.396 3.310 0 40 HGAB Cc1cc(C)c2c(OCC(=O)NCCOc3cccc4ccccc34)nn(C)c2n1 58306529 WOPVMPQXDHQDOW-UHFFFAOYSA-N 404.470 3.312 0 40 HGAB NC(=O)CC[C@H]1CCCN(C(=O)c2ccc(Cl)c(I)c2)C1 60373796 HNJPIQIYVQMMDF-SNVBAGLBSA-N 420.678 3.062 0 40 HGAB O=C(CN1CCN(Cc2ccc3c(c2)OCO3)CC1)c1ccc(Br)cc1 67206154 YXTSYFDRSSVUMD-UHFFFAOYSA-N 417.303 3.178 0 40 HGAB COc1ccc(NCC2(O)CCN(C(=O)OCc3ccccc3)CC2)cc1OC 71789012 JIURRPJXPXVRNK-UHFFFAOYSA-N 400.475 3.279 0 40 HGAB NC(=O)c1cccc(-c2cccc([C@@H]3CCCN(CC(=O)Nc4nccs4)C3)n2)c1 72348895 RJAUJZZVVIJGDE-QGZVFWFLSA-N 421.526 3.122 0 40 HGAB COCCN1CCCC[C@@H]1c1nc(N(C)C)ncc1-c1c(OC)cccc1OC 72376818 ANHPSJZZHLKHRT-QGZVFWFLSA-N 400.523 3.400 0 40 HGAB Cc1cc(C)n2ncc(C(=O)N3CCC[C@@H]([C@@H]4CC(=O)c5cc(F)ccc5O4)C3)c2n1 72396500 ULFNNBRIXRBFGZ-VFNWGFHPSA-N 422.460 3.371 0 40 HGAB C[C@H](NC(=O)c1cc(-c2ccc(Br)s2)[nH]n1)c1nnc2ccccn12 95473982 QTFOBHIWKWLXOD-VIFPVBQESA-N 417.292 3.434 0 40 HGAB CCN1CC[C@]2(CN(Cc3cccnc3)CC23CCN(Cc2ccco2)CC3)C1=O 96036452 ODKNXYJSYWTXCH-DEOSSOPVSA-N 408.546 3.011 0 40 HGAB O=C(C[C@@H]1CC2(CCN(Cc3nccs3)CC2)c2ccccc21)N1CCOCC1 96052803 YTQPECKHCFAVQU-GOSISDBHSA-N 411.571 3.413 0 40 HGAB O=C1C[C@]2(CCN(S(=O)(=O)c3ccccc3Br)C2)Oc2ccccc21 96367666 LVWOMKJVGPDEDP-SFHVURJKSA-N 422.300 3.248 0 40 HGAB CO[C@H](CNC(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1)c1cccc(F)c1 96388780 VPLAVYWMKGHXAS-OAHLLOKOSA-N 400.328 3.167 0 40 HGAB COc1ccc(CC(=O)NC[C@H]2CC[C@H](c3nnc(-c4cnc(C)cn4)o3)CC2)cc1 100156187 CEJNYIHFYIZHRE-HDICACEKSA-N 421.501 3.476 0 40 HGAB O=C(c1ccccc1)[C@@H]1[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=NN12 100688924 XNLQKYRVCMBHDH-GPJHCHHRSA-N 421.456 3.448 0 40 HGAB CC(C)C(NC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1)C(C)C 113938792 NZFBGDYQHZEZMX-HXUWFJFHSA-N 416.543 3.440 0 40 HGAB COc1ccccc1NC(=O)[C@@H](C)N(c1cc(Cl)ccc1OC)S(C)(=O)=O 113940689 FIXYCKMGXLFETH-GFCCVEGCSA-N 412.895 3.150 0 40 HGAB COc1ccc([C@H](C)NC(=O)CCCN(c2ccccc2OC)S(C)(=O)=O)cc1 113968010 KDUJAXICCJCWMY-INIZCTEOSA-N 420.531 3.127 0 40 HGAB CSc1ccccc1NC(=O)C(=O)NCc1ccc([C@@H](O)c2ccco2)s1 206687792 LQKKHXWOIYQQOI-KRWDZBQOSA-N 402.497 3.400 0 40 HGAB CC[C@@H](NC(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O)c1ccc(C)cc1 216483903 DHECTUUIVMEZNR-GOSISDBHSA-N 420.531 3.046 0 40 HGAB O=C(O)c1cc(S(=O)(=O)NCCC2=CCCCC2)ccc1NC[C@H]1CCCO1 217587135 XHLQKOIGCKIXJC-MRXNPFEDSA-N 408.520 3.145 0 40 HGAB CS(=O)(=O)N(CC(=O)NCc1ccccc1Cl)c1ccc(C(F)(F)F)cc1 220045166 FUANQUZOTBOIMR-UHFFFAOYSA-N 420.840 3.441 0 40 HGAB CCOc1ccc(N([C@H](CC)C(=O)N(C)Cc2ccccc2)S(C)(=O)=O)cc1 220661910 ZETDHFHURLAHDJ-HXUWFJFHSA-N 404.532 3.289 0 40 HGAB Cc1ccc(OCCNC(=O)c2ccc(C)c(N(C)S(C)(=O)=O)c2)cc1Cl 224180553 OAHCECVEPFVIDD-UHFFFAOYSA-N 410.923 3.161 0 40 HGAB Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)n1C 225500915 NEQVUSRWAHSROE-SFTDATJTSA-N 405.527 3.340 0 40 HGAB COc1cccc2c1OC(C)(C)[C@H]1CC3(CO[C@H]21)CN(C(=O)c1cncc(O)c1)C3 257230209 GBHYLRIPIPGGRP-PKOBYXMFSA-N 410.470 3.187 0 40 HGAB O=C(COc1ccc(F)c(Cl)c1)N1CCCC[C@H]1c1nnc(-c2cnccn2)o1 257335419 YKBQNGXXVXNITB-INIZCTEOSA-N 417.828 3.452 0 40 HGAB CC(C)n1cnc([C@H]2CN(Cc3ccco3)C[C@@]23CCN(Cc2cccnc2)C3=O)c1 306125587 CVBLCHSCFSZWEY-QPPBQGQZSA-N 419.529 3.470 0 40 HGAB COc1ccc(OC)c(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc3ccccc3c2)c1 408557672 HGARNDVVGVVJEE-CQSZACIVSA-N 414.483 3.163 0 40 HGAB CC(=O)Oc1c(Br)cc(/C=C2\SC(=N)NC2=O)cc1Br 408759233 AEVZZJKVOLVSCU-WTKPLQERSA-N 420.082 3.276 0 40 HGAB CCCNC(=O)N1CC[C@@](C)(O)[C@@H](NC(=O)c2ccccc2)[C@@H]1c1cccs1 604383245 PUWMBRIOPUYJDM-BBTUJRGHSA-N 401.532 3.164 0 40 HGAB biogenic,in-vitro O=C(Cn1nc(C(F)(F)F)c2c1CCCC2)N1CCN(c2ccc(F)cc2)CC1 869766 DWXIUKKXPMQUEF-UHFFFAOYSA-N 410.415 3.269 0 40 HGAB COc1ccc2nc(NC(=O)CSc3nnc(-c4ccco4)n3C)sc2c1 919730 YNJBMRJETFCUTM-UHFFFAOYSA-N 401.473 3.424 0 40 HGAB CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3C)=C(C)Nc3nnnn32)cc1OC 954705 GVGUEJMBHOJXFB-HXUWFJFHSA-N 420.473 3.316 0 40 HGAB CC1=C(C(=O)Nc2cccnc2)[C@@H](c2ccc(Cl)c(Cl)c2)n2nnnc2N1 956292 NHUXBJBBLTVLGE-OAHLLOKOSA-N 402.245 3.303 0 40 HGAB COc1cc([C@H]2CC(c3ccccc3OC(C)=O)=NN2C(C)=O)cc(OC)c1OC 984720 WWDWQPSMMHFFER-GOSISDBHSA-N 412.442 3.335 0 40 HGAB CC(C)c1nnc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)s1 1379310 ACRREPJHPBUSOL-ZDUSSCGKSA-N 414.940 3.107 0 40 HGAB O=C1c2ccc(OCC(F)(F)F)cc2S(=O)(=O)N1CCc1ccc(F)cc1 1442058 HDHHNHJWERRPBY-UHFFFAOYSA-N 403.353 3.154 0 40 HGAB Cc1ccc(C)c(-n2c3nc(=O)n(C)c(=O)c-3cc3c(C)nn(-c4ccccc4)c32)c1 2215291 BFENPCHWVVYNRC-UHFFFAOYSA-N 411.465 3.300 0 40 HGAB Cn1cc(/C=C(\NC(=O)c2ccccc2Cl)C(=O)N2CCOCC2)c2ccccc21 2354850 DWGMFNIAJPILCC-ZHZULCJRSA-N 423.900 3.461 0 40 HGAB CC[C@@H](CO)NS(=O)(=O)c1cc(-c2nnc(Cl)c3ccccc23)ccc1C 2522303 JYWATKNJYSEZDI-AWEZNQCLSA-N 405.907 3.308 0 40 HGAB CCC(=O)c1ccc(OCC(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)cc1 2619849 SREJZYXOVLBIEO-UHFFFAOYSA-N 418.496 3.310 0 40 HGAB CCCCOc1ccc(-c2nnn(CC(=O)Nc3cc(OC)ccc3OC)n2)cc1 4130068 ZRTHFKXBTHYTSW-UHFFFAOYSA-N 411.462 3.175 0 40 HGAB Cc1ccc(C)c(C(=O)COC(=O)[C@@H](C(C)C)N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2=O)c1 4178427 LFVFIRCVBDCTAY-DPDIENECSA-N 411.498 3.085 0 40 HGAB Cc1ccnc(SCc2cc(=O)c(OC(=O)COc3ccc(F)cc3)co2)n1 4377333 XAERRSAFUILNAJ-UHFFFAOYSA-N 402.403 3.154 0 40 HGAB COc1cc(C(=O)N2c3ncnn3[C@@H](c3ccccc3)C[C@@H]2C)cc(OC)c1OC 4732652 FZKZGIHHMZRLGZ-WMLDXEAASA-N 408.458 3.332 0 40 HGAB COCCn1c(SCC(=O)Nc2ccccc2OC)nnc1-c1ccoc1C 4860734 NFCAGWMQZMINBO-UHFFFAOYSA-N 402.476 3.232 0 40 HGAB CCOC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C 4905213 VUKOENYOYRYAMX-QZTJIDSGSA-N 406.523 3.216 0 40 HGAB COc1ccccc1-n1nnc(-c2nn3c(Cc4ccccc4)nnc3s2)c1C 5032541 NUFKNBOUTZIGSL-UHFFFAOYSA-N 403.471 3.341 0 40 HGAB O=C(COC(=O)c1ccccc1C(=O)c1ccccc1)Nc1ccc2c(c1)OCCO2 5042777 OBPZUZHMKBJEQA-UHFFFAOYSA-N 417.417 3.484 0 40 HGAB O=C(Cn1nnc2sc(-c3ccccc3)cc2c1=O)N1CCCc2ccccc21 5183088 KXOMYWLEBGEKTH-UHFFFAOYSA-N 402.479 3.499 0 40 HGAB C[C@@H]1CCC[C@@H](C)N1NC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 5495080 FJEKKUVGGZMIFE-IAGOWNOFSA-N 413.543 3.346 0 40 HGAB O=C(c1ccc(I)cc1)N1CCN(c2ccccc2F)CC1 6923245 TZRNICCVSRPMOT-UHFFFAOYSA-N 410.230 3.393 0 40 HGAB COc1cc(C(=O)NN2C(=O)NC3(CCCCC3)C2=O)ccc1OCc1ccccc1 6993142 NBZGEXDDOXGWBH-UHFFFAOYSA-N 423.469 3.174 0 40 HGAB Cc1ccc(N2C[C@H](C(=O)Oc3ccc(N4C(=O)CCC4=O)c(C)c3)CC2=O)cc1C 7928585 SQWLINBOTHFXRH-QGZVFWFLSA-N 420.465 3.224 0 40 HGAB COc1ccccc1NC(=O)COC(=O)[C@H]1CC(=O)N(c2cccc3ccccc23)C1 8037755 VWMSPGINXCTYMZ-KRWDZBQOSA-N 418.449 3.383 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1OC 8514439 CDEBFGSCBOBVEJ-KRWDZBQOSA-N 419.499 3.391 0 40 HGAB Nc1ncnc2sc3c(c12)CCN(c1ncnc2c1cnn2-c1ccc(F)cc1)C3 8747364 AXZBOTCNAKHYSS-UHFFFAOYSA-N 418.461 3.104 0 40 HGAB O=C(Nc1ccc(S(=O)(=O)NCCCO)cc1F)c1ccc(Cl)cc1Cl 8810497 FMYVBUVQDKPUGP-UHFFFAOYSA-N 421.277 3.046 0 40 HGAB CCCNS(=O)(=O)c1cc(C(=O)N[C@H](C)CCc2ccccc2)ccc1OC 9063929 XFJLUAMOKSKRDC-MRXNPFEDSA-N 404.532 3.135 0 40 HGAB Cc1ccc(NC(=O)c2ccc(=O)[nH]c2)cc1S(=O)(=O)Nc1cccc(Cl)c1 9217430 NNLQOYKHYYAUTN-UHFFFAOYSA-N 417.874 3.390 0 40 HGAB CCn1cc(C(=O)Nc2ccc(C(=O)OC)cc2)c2nn(-c3ccccc3)c(=O)c-2c1 9661453 ALMWTHIHDKOFIA-UHFFFAOYSA-N 416.437 3.198 0 40 HGAB O=C1COc2ccc(C(=O)NCCCCCc3nc(-c4cccs4)no3)cc2N1 9930137 ZRQXOXNBLGQTTL-UHFFFAOYSA-N 412.471 3.272 0 40 HGAB O=S(=O)(c1ccc2c(c1)CCCN2S(=O)(=O)c1ccccc1)N1CCCCC1 10119291 KBNFXZMEJXARJD-UHFFFAOYSA-N 420.556 3.003 0 40 HGAB CCOC(=O)c1ccc(NC(=O)COC(=O)c2cc(C(C)=O)n3ccccc23)cc1 10272881 FHQIMJPQAYPBPV-UHFFFAOYSA-N 408.410 3.114 0 40 HGAB CCOc1ccc(CCNC(=O)COC(=O)c2ccc(Cl)nc2)cc1OCC 10805977 CMSUKNHJJOPBSH-UHFFFAOYSA-N 406.866 3.048 0 40 HGAB CC(C)C(=O)Nc1ccc(S(=O)(=O)NCCCc2ccc(N(C)C)cc2)cc1 11693701 ZJUFKRVUEXOICE-UHFFFAOYSA-N 403.548 3.258 0 40 HGAB CC(C)c1cc(=O)[nH]c(-n2nc(C3CC3)cc2NC(=O)c2cc(-c3ccco3)on2)n1 12126693 PMBANTNZFULEEQ-UHFFFAOYSA-N 420.429 3.457 0 40 HGAB COc1ccccc1NS(=O)(=O)c1cccc(NC(=O)[C@@H]2Cc3ccccc3O2)c1 12544923 CTSYGHYHSPRNRU-NRFANRHFSA-N 424.478 3.438 0 40 HGAB O=C(CNC(=O)c1cncn1-c1ccc(F)cc1)Nc1ccccc1Br 12547701 WVMOMEAFKGUYFA-UHFFFAOYSA-N 417.238 3.142 0 40 HGAB Cc1cc2nc([C@@H]3CCCN(Cc4ccc(N5CCCC5=O)cc4)C3)cc(N)n2n1 12667744 KCEQDMQTOCEWLE-GOSISDBHSA-N 404.518 3.126 0 40 HGAB CN(CC(=O)Nc1cccc(F)c1)CC(=O)Nc1cc2c(cc1Cl)OCCCO2 12807759 BIQAPCMYNJVQMK-UHFFFAOYSA-N 421.856 3.149 0 40 HGAB O=C(NCCC1=CCCCC1)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 12815997 MDLLAZXVNJWHMH-UHFFFAOYSA-N 412.502 3.372 0 40 HGAB COc1ccc(N2C[C@@H](C(=O)Nc3nc4c(s3)C[C@H](C)CC4)CC2=O)cc1OC 12907064 ZJASDINSQMFBHY-OLZOCXBDSA-N 415.515 3.277 0 40 HGAB Cc1noc(C)c1S(=O)(=O)Nc1cc(-c2nnc3n2CCCCC3)c(F)cc1F 12942204 OPSMFGOGFWPKGF-UHFFFAOYSA-N 423.445 3.355 0 40 HGAB Cc1ccccc1C(=O)N1CCC(C(=O)NCC(=O)Nc2c(C)cccc2C)CC1 12942417 OPECPKXCLVSDLX-UHFFFAOYSA-N 407.514 3.219 0 40 HGAB COc1ccc(CC(=O)N(C)[C@H](C)c2ccc(-n3cncn3)cc2)c(OC)c1OC 13008617 WAXGKBDKXFKBGV-OAHLLOKOSA-N 410.474 3.055 0 40 HGAB CS(=O)(=O)N1CCCC[C@@H]1C(=O)Nc1nc(-c2nc3ccccc3s2)cs1 13792647 WPMATRZEPRDZLE-CYBMUJFWSA-N 422.557 3.172 0 40 HGAB CN(Cc1ccco1)C(=O)/C=C/c1ccc(S(=O)(=O)NCc2ccco2)cc1 14159970 LKYICAAWFFUWKY-DHZHZOJOSA-N 400.456 3.023 0 40 HGAB COC(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)cc1 14467645 LQTITDJJHGCMEW-UHFFFAOYSA-N 416.499 3.290 0 40 HGAB CSCC[C@H](NC(=O)c1ccccc1)C(=O)Nc1ccc2c(c1)OC(F)(F)O2 16104478 BFDQBDQPJWWCFG-AWEZNQCLSA-N 408.426 3.498 0 40 HGAB N=c1oc2ccc(Br)cc2cc1C(=O)NCc1ccc2c(c1)OCO2 17082120 UJZXSTIGVIKEJF-UHFFFAOYSA-N 401.216 3.333 0 40 HGAB Cn1nnnc1SCC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 17528963 LATBVEFPUAWEFY-MRXNPFEDSA-N 423.951 3.066 0 40 HGAB COc1cc(CN(C)C(=O)c2cccc(CS(C)(=O)=O)c2)ccc1OC(F)F 17958167 CHGXIBMBTVERDQ-UHFFFAOYSA-N 413.442 3.113 0 40 HGAB CN(CC(=O)Nc1cccc(F)c1)C(=O)c1ccccc1I 18006771 WEIWCDUKBOPMNM-UHFFFAOYSA-N 412.202 3.141 0 40 HGAB CN(C)c1ncc(-c2ccncc2)c([C@@H]2CCCN2C(=O)COc2ccccc2)n1 19585282 MYDKHMTWKYATCC-FQEVSTJZSA-N 403.486 3.347 0 40 HGAB Cc1cc(C)c2cc(C(=O)Nc3cccc(NC(=O)CN4CCOCC4)c3)[nH]c2c1 19663445 RPCIHHPOVBTAEY-UHFFFAOYSA-N 406.486 3.308 0 40 HGAB Cc1ccc2ncc(S(=O)(=O)c3ccccc3)c(N3CCC(C(N)=O)CC3)c2c1 20380803 LHJSFVMNVSACCV-UHFFFAOYSA-N 409.511 3.078 0 40 HGAB COc1ccc(-c2nn3c(COc4ccc5c(c4)OCO5)nnc3s2)cc1OC 20720780 DHJIXBQQLSYICJ-UHFFFAOYSA-N 412.427 3.178 0 40 HGAB O=C(CCCn1c(=O)oc2ccccc21)NCCc1cc(Cl)c2c(c1)OCCO2 22024367 NCFKITZHVOKYDR-UHFFFAOYSA-N 416.861 3.158 0 40 HGAB COc1cccc(-c2nn(Cc3ccccc3)cc2CNCCN2CCOCC2)c1 22025344 JBGFFBNVIJIOGH-UHFFFAOYSA-N 406.530 3.029 0 40 HGAB O=C(NCc1cccc(Cn2ccnc2)c1)C1CCN(C(=O)Nc2ccccc2)CC1 24747646 QKYWPOAQZDQAQL-UHFFFAOYSA-N 417.513 3.492 0 40 HGAB C[C@@H](NC(=O)CN1CCN(C(=O)c2ccccc2F)CC1)c1ccc2c(c1)CCCC2 24838928 LKVTXPRUFIYEEV-GOSISDBHSA-N 423.532 3.340 0 40 HGAB CC1CCC2(CC1)NC(=O)N(CN1CCN(c3cccc(C(F)(F)F)c3)CC1)C2=O 25266361 OXJMRFZUOBRIGY-UHFFFAOYSA-N 424.467 3.286 0 40 HGAB O=C(CN1CCN(Cc2ccccc2)CC1)NCCCCOc1ccc(Cl)cc1 26249268 AIQLTXJABFAWNO-UHFFFAOYSA-N 415.965 3.433 0 40 HGAB CCOC(=O)C1=C(CNCc2ccccc2Cl)NC(=O)N[C@H]1c1cccs1 26441455 LMKNTLOPMMVCQD-KRWDZBQOSA-N 405.907 3.362 0 40 HGAB Cc1nn(Cc2ccccc2Cl)c(C)c1CN(C)CCn1nc2ccccn2c1=O 26905159 PCDXJEZOKPGNPW-UHFFFAOYSA-N 424.936 3.143 0 40 HGAB Cc1cc(NC(=O)Cn2c(=O)c3ccccc3n3nc(C)cc23)n(-c2ccccc2)n1 32810251 IHJCMHKZGBJNSQ-UHFFFAOYSA-N 412.453 3.090 0 40 HGAB COC(=O)c1ccc(OC[C@@H](O)CSc2nnc(C)n2-c2cccc(C)c2)cc1 32854113 JLZAEHGMSCYTRH-GOSISDBHSA-N 413.499 3.203 0 40 HGAB CC(C)c1ccc([C@H](C)NS(=O)(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1 32909113 VZVBZWZXMGGMDZ-HNNXBMFYSA-N 410.561 3.100 0 40 HGAB COc1ccc(CNC(=O)CCc2nnc3ccc(-c4ccccc4)nn23)cc1OC 33309517 PVYYGCZNSBXONT-UHFFFAOYSA-N 417.469 3.058 0 40 HGAB Cc1cc(/C=C2\C(=O)N(C)C(=O)N=C2O)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 33721996 DFHNELOVTAHGIJ-AUWJEWJLSA-N 401.806 3.378 0 40 HGAB O=C(c1cc(Br)c(Br)s1)N1N=CC[C@]1(O)C(F)(F)F 36611201 ZMRIBOKTDPKZSN-QMMMGPOBSA-N 422.020 3.356 0 40 HGAB CN(Cc1nc2ccccc2s1)C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1 40069116 HIAITAAGWKMLTR-KRWDZBQOSA-N 415.540 3.108 0 40 HGAB O=C(NN1C(=O)NC2(CCCCC2)C1=O)c1nn(-c2ccccc2)c2c1CCCCC2 40143685 VWDFBWOBQYIEFK-UHFFFAOYSA-N 421.501 3.041 0 40 HGAB C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)N[C@H]3CCC[C@@H](C)[C@H]3C)c2)C[C@@H](C)O1 40161041 VQDDBDIDHFCTEY-XDCWJTEKSA-N 408.564 3.039 0 40 HGAB Cc1ccc(C)c([C@H](C)NC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(C)ccc3O2)c1 44905923 MNIZVPDRPREBLV-JXFKEZNVSA-N 402.516 3.016 0 40 HGAB COc1cc(NC(=O)Cn2c3ccc(F)cc3c(=O)n2C(C)(C)C)cc(OC)c1 49007313 LDJDJNZOSCLNLI-UHFFFAOYSA-N 401.438 3.353 0 40 HGAB C[C@H]1C[C@H]1C(=O)NCCC(=O)NCC1(c2ccc(Cl)cc2Cl)CCOCC1 55762396 WNXCMYZJRCGOGE-DZGCQCFKSA-N 413.345 3.320 0 40 HGAB O=S(=O)(NCC1(c2cccc(C(F)(F)F)c2)CCOCC1)c1cccnc1 57010225 RJXZSHYQFZLJSS-UHFFFAOYSA-N 400.422 3.127 0 40 HGAB CCN1CCC[C@@H](NC(=O)NC[C@@H]2CCN(c3cccc(Br)c3)C2)C1 65497076 SSNHPGYRRZDWGI-DOTOQJQBSA-N 409.372 3.059 0 40 HGAB CCN(C(=O)CN(C)CC(=O)Nc1ccc(Br)cn1)C1=CCCCC1 65540923 NWYGQPXZYHJQQQ-UHFFFAOYSA-N 409.328 3.021 0 40 HGAB CC(C)[C@H](NC(=O)c1ccccc1)c1nnc(SCC(=O)Nc2cccnc2)n1C 72191602 DUCWTBPDGUPBRV-SFHVURJKSA-N 424.530 3.068 0 40 HGAB Cn1nc(-c2ccc(F)cc2)cc1C(=O)NCC1CCN(C(=O)NC(C)(C)C)CC1 77200889 YLFIIMCOKSMRAI-UHFFFAOYSA-N 415.513 3.176 0 40 HGAB Cn1cc(C(=O)NCC2CCN(c3cc(C(C)(C)C)nc(C(C)(C)C)n3)CC2)cn1 79111762 GQTAMHNTESKDHD-UHFFFAOYSA-N 412.582 3.452 0 40 HGAB Cn1cc(-c2nc([C@H]3CCCCCN3C(=O)c3cc(F)cc4[nH]cnc34)no2)cn1 96001834 VKANMVOMLDMUOP-MRXNPFEDSA-N 409.425 3.243 0 40 HGAB CCCC/N=c1/sc(C(=O)Nc2ccc(C(=O)OC)cc2)cc(=O)n1CCCC 102653494 KDGLHLUKLJOUGY-QURGRASLSA-N 417.531 3.450 0 40 HGAB COc1ccc(NC(=O)COc2ccc(Br)cc2C(=O)O)c(OC)c1 217719418 BVSISVGKLVPUDG-UHFFFAOYSA-N 410.220 3.182 0 40 HGAB CN(C)S(=O)(=O)c1ccc(C(=O)N2CCS[C@H](c3cccs3)CC2)cc1 219489476 QPLHZHDGIASFLW-KRWDZBQOSA-N 410.586 3.319 0 40 HGAB CCOC(=O)c1ccc(NC(=O)[C@H](C)N(c2cccc(C)c2)S(C)(=O)=O)c(C)c1 220143525 KQCZGJLSICULFV-INIZCTEOSA-N 418.515 3.273 0 40 HGAB CCOc1ccccc1CCCNC(=O)c1ccc(N(C)S(C)(=O)=O)c(C)c1 222480339 RCLTXMKAIJPMDE-UHFFFAOYSA-N 404.532 3.152 0 40 HGAB COc1ccccc1N(CCCC(=O)NCCc1ccc(Cl)cc1)S(C)(=O)=O 224738632 KSZCWHVVMBVMGO-UHFFFAOYSA-N 424.950 3.254 0 40 HGAB CC(C)[C@H](C)NC(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(C)(=O)=O 225193610 FEGAELDXQLQMNI-JTQLQIEISA-N 400.850 3.286 0 40 HGAB COc1ccc(-c2noc([C@H](C)O)c2C(=O)N2CCN(Cc3ccccc3)CC2)cc1 225433008 UDNSICLAFVFYGM-KRWDZBQOSA-N 421.497 3.362 0 40 HGAB biogenic,in-vitro CC(C)(Cc1ccccc1)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 225543500 QQBYPDRGKWJVQF-GOSISDBHSA-N 418.534 3.364 0 40 HGAB COC(=O)c1ccc(NC(=O)CCNC(=O)c2ccc3oc(Cl)nc3c2)cc1 225979382 ZOGOXMPFPLZKPB-UHFFFAOYSA-N 401.806 3.026 0 40 HGAB CC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@H]2[C@@H]2c3ccccc3C=NN12 248378889 KYMCRXNRHMJWMS-ODAXIHTASA-N 409.445 3.307 0 40 HGAB COc1ccc(Nc2cc(C)nc([C@H]3CCCN(S(=O)(=O)N(C)C)C3)c2)cc1 257306252 STLVSHDLVFKOOI-INIZCTEOSA-N 404.536 3.128 0 40 HGAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)N2c3ccccc3C[C@H]2C)cc1Cl 260728457 BKJGSFDKIROSSG-CQSZACIVSA-N 422.934 3.337 0 40 HGAB COc1ccc(N(CCCC(=O)N2c3ccccc3C[C@H]2C)S(C)(=O)=O)cc1 260762246 HCKBAPPMEDBZCJ-MRXNPFEDSA-N 402.516 3.219 0 40 HGAB CC(C)CN1CCC2(CCCN(C(=O)c3ccsc3)[C@H]2CNC(=O)N(C)C)CC1 306129935 IRDZWHBLACUMEQ-IBGZPJMESA-N 420.623 3.362 0 40 HGAB CCOC(=O)[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)CN1C(=O)OCc1ccccc1 322307353 XLQBHRYECASFDM-IRXDYDNUSA-N 406.479 3.244 0 40 HGAB COC(=O)c1ccccc1NC(=O)CCCN(c1ccc(Cl)cc1)S(C)(=O)=O 408680973 URYFDWWKZAQODJ-UHFFFAOYSA-N 424.906 3.312 0 40 HGAB CCCOc1ccc(N2C[C@H](C(=O)N3CCN(c4ccccc4)CC3)CC2=O)cc1 408709075 WYZZGLRGANDRFT-LJQANCHMSA-N 407.514 3.177 0 40 HGAB CCn1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)c2ccccc21 409215401 XWQJMIJXBDCRGW-WOJGMQOQSA-N 406.417 3.332 0 40 HGAB COc1cc(CN[C@H]2CCC[C@@H](Oc3cccc(F)c3)[C@@H]2O)cc(OC)c1OC 585290625 YSMFJHXEIWSPFZ-WAOWUJCRSA-N 405.466 3.302 0 40 HGAB Cn1cc(-c2ccc3c(c2)OCC[C@H]2CN(C4CCOCC4)CC[C@H]2CC(=O)N3)cn1 1534646082 AVWTZIHDVLYPFW-OALUTQOASA-N 424.545 3.315 0 40 HGAB CCc1cccc(C)c1NC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1 798624 LXWJNGFXFXVUBA-UHFFFAOYSA-N 402.516 3.359 0 40 HGAB CCn1c(COc2ccccc2OC)nnc1SCC(=O)Nc1nc(C)cs1 813750 PCYSACWSXBHBKN-UHFFFAOYSA-N 419.532 3.381 0 40 HGAB CCNC(=S)N(Cc1ccccc1OC)Cc1cc2ccc(OC)cc2[nH]c1=O 928134 ZXNXBOWBUJIVOJ-UHFFFAOYSA-N 411.527 3.442 0 40 HGAB COc1ccccc1-n1c(SCC(=O)NC2CCCC2)nnc1-c1ccccn1 1362710 HUJXSBZURCDCAJ-UHFFFAOYSA-N 409.515 3.489 0 40 HGAB COc1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)c2csnn2)C2CC2)cc1 1378499 VJOJSDCFUHHETQ-IBGZPJMESA-N 414.531 3.342 0 40 HGAB COc1cc([C@@H]2[C@@H]3CCCC[C@@]3(O)CCN2CC(=O)N2CCCCC2)ccc1O 2156994 WTNJGYFYMAQZAK-CDNPAEQRSA-N 402.535 3.081 0 40 HGAB biogenic COc1ccccc1C(=O)N/C(=C\c1ccccc1)C(=O)N[C@H](CC(C)C)C(=O)O 2280572 DMZJCOCVBFFQRU-GDLUXTLDSA-N 410.470 3.082 0 40 HGAB biogenic COc1cc([C@@H]2c3c(oc4cc(C)c(Cl)cc4c3=O)C(=O)N2CCO)ccc1O 2341357 DEPXYMMWCYNJHD-GOSISDBHSA-N 415.829 3.007 0 40 HGAB CN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)N(CCc2ccc(Cl)cc2)C1=S 2729351 OSHOKFRSULPVQT-KRWDZBQOSA-N 419.909 3.478 0 40 HGAB CCc1ccc(-n2c(=O)c3ccccc3n3c(S[C@@H]4CCOC4=O)nnc23)cc1 3280419 KWWIXLKZYRJRTB-QGZVFWFLSA-N 406.467 3.003 0 40 HGAB NC(=O)NC(=O)CSc1nc2cc(C(F)(F)F)ccc2n1Cc1ccccc1 3356179 QGJWYYWNPOMSPU-UHFFFAOYSA-N 408.405 3.390 0 40 HGAB O=C(NC1CCCCC1)[C@@H](c1ccncc1)N(C[C@@H]1CCCO1)C(=O)C(F)(F)F 4083289 ROHLIKBQEIZFMU-DLBZAZTESA-N 413.440 3.142 0 40 HGAB Cc1c(C)n2c3c(=O)n(CCC(C)C)c(=O)n(C)c3nc2n1CCc1ccccc1 4250880 NMWPAZXEGZUPRI-UHFFFAOYSA-N 407.518 3.055 0 40 HGAB Cn1cnnc1SCC(=O)N1N=C(c2cccs2)C[C@H]1c1ccc(F)cc1 4263084 TXZKXEKGKVSYJS-HNNXBMFYSA-N 401.492 3.486 0 40 HGAB CCN(CC)C(=O)CSc1nnc(CCCCCNC(=O)OC(C)(C)C)o1 4313018 UJSFRLVRQQCGRC-UHFFFAOYSA-N 400.545 3.268 0 40 HGAB COc1cccc(NC(=O)[C@@H]2CC(=O)Nc3nc(SCc4ccccc4)nn32)c1 4737148 QZQHSIUZNBSGID-INIZCTEOSA-N 409.471 3.101 0 40 HGAB CCOc1ccc(N2C[C@H](NC(=O)c3ccc(Br)cc3)CC2=O)cc1 5195885 OOPHWMXFJYEUGD-OAHLLOKOSA-N 403.276 3.383 0 40 HGAB CCc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)sc1C 5824391 QRGUMUUZGHPRQI-UHFFFAOYSA-N 406.573 3.382 0 40 HGAB C[C@@H](NC(=O)c1ccccc1Cl)c1nnc(SCC(=O)NC2CCCC2)n1C 6267676 OFBGHWULMMUNCT-GFCCVEGCSA-N 421.954 3.110 0 40 HGAB COc1ccc([C@H](CNC(=O)C[C@H](NC(C)=O)c2ccccc2)N2CCCC2)cc1 6865330 FPJJLJLUEXHXEQ-GOTSBHOMSA-N 409.530 3.216 0 40 HGAB Cc1nn(Cc2cc(-c3ccco3)on2)c(C)c1S(=O)(=O)N(C)Cc1ccco1 7065709 GUVUSUNVRVWDAX-UHFFFAOYSA-N 416.459 3.210 0 40 HGAB COC(=O)[C@@H](C)Sc1nc2ccccc2c(=O)n1-c1ccc(OC)c(OC)c1 7734858 UQBRMVAJFVNZRP-GFCCVEGCSA-N 400.456 3.057 0 40 HGAB COc1ccccc1NC(=O)Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1 8314040 JAFJJWBOTZCNHZ-UHFFFAOYSA-N 403.382 3.180 0 40 HGAB CCOc1ccc(NC(=O)CCC(=O)OCC(=O)Nc2cccc(C(C)=O)c2)cc1 8415251 MZEWEJQURINDKD-UHFFFAOYSA-N 412.442 3.189 0 40 HGAB COc1ccccc1-c1n[nH]c(=S)n1NCc1cc(OC)c(OC)c(OC)c1 8496560 HWKYPTMSBYTJRX-UHFFFAOYSA-N 402.476 3.386 0 40 HGAB C[C@@H](O)CNc1nc(Nc2ccc3c(c2)OCO3)c2cnn(-c3ccccc3)c2n1 9573624 PKSPBHIESTVDSS-CYBMUJFWSA-N 404.430 3.081 0 40 HGAB COCCCn1cc(C(=O)NCc2cccs2)c2nn(-c3ccccc3)c(=O)c-2c1 9663154 VJBUWBLVCBUYFC-UHFFFAOYSA-N 422.510 3.167 0 40 HGAB CN(C)c1ccc(Cl)cc1NC(=O)CSc1nnc(-c2ccncc2)n1C 9862664 IOTIOQDYIVARFX-UHFFFAOYSA-N 402.911 3.327 0 40 HGAB O=C(Cn1nnc2ccccc2c1=O)N[C@@H](c1ccc2c(c1)CCC2)c1cccs1 9986440 DWCRGIOJMFMFQK-QFIPXVFZSA-N 416.506 3.248 0 40 HGAB C[C@@H](NC(=O)CN1C(=O)c2ccccc2S1(=O)=O)c1ccc(C(C)(C)C)cc1 10111948 LRHHBPYLXSLEPR-CQSZACIVSA-N 400.500 3.006 0 40 HGAB COc1cc(C(=O)Nc2ccc(-c3nn4cnnc4s3)cc2)cc(OC)c1OC 10129734 ZMUQQLNWSCLLLG-UHFFFAOYSA-N 411.443 3.131 0 40 HGAB CCOC(=O)c1sc(NC(=O)COc2ccc(C=O)cc2)c(C(=O)OCC)c1C 10966585 UADRNSAIUSJMPN-UHFFFAOYSA-N 419.455 3.240 0 40 HGAB O=C(c1ccc2c(c1)OCCO2)N1CCC[C@@H](c2ccnc(-c3cccnc3)n2)C1 12119315 RAVTXRWFGSHOOU-GOSISDBHSA-N 402.454 3.330 0 40 HGAB O=C(c1nc2ccccc2s1)C1CCN(C(=O)c2cccc(-n3cnnn3)c2)CC1 12131974 MIRVIJNLNDRAKM-UHFFFAOYSA-N 418.482 3.007 0 40 HGAB CCCNC(=O)[C@H](C)OC(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 12336234 SYFDCTXZINBLGO-ZDUSSCGKSA-N 414.424 3.016 0 40 HGAB O=S(=O)(Nc1ccc(S(=O)(=O)NC2CC2)cc1)c1ccc(Cl)c(Cl)c1 12507947 ZGOAXMJHDRLGJZ-UHFFFAOYSA-N 421.327 3.235 0 40 HGAB Cc1ccc2cc(CN(CCN(C)C)C(=S)NC3CCCCC3)c(=O)[nH]c2c1 12709716 GQLQRZXRLGDXQY-UHFFFAOYSA-N 400.592 3.407 0 40 HGAB CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)CN2c3ccccc3CC[C@@H]2C)cc1 12818895 PASQQSLKTYUSLS-KRWDZBQOSA-N 415.559 3.495 0 40 HGAB CC(=O)N1CCCc2cc(S(=O)(=O)NCc3ccc(C(F)(F)F)cc3)ccc21 12946617 PUUYWEZMEYUBJL-UHFFFAOYSA-N 412.433 3.483 0 40 HGAB O=C(Nc1cccc2ncccc12)c1cccc(S(=O)(=O)NCC(F)(F)F)c1 14240656 SIHGJAKDZDVVJT-UHFFFAOYSA-N 409.389 3.328 0 40 HGAB CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)Nc2ccc(F)cc2F)c1 15003916 HTJWIGNKFTYEFI-UHFFFAOYSA-N 409.458 3.068 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCC[C@@H]2CC(=O)NCc2ccc(C)cc2)cc1 15391073 MCIUDGQIOGHLBE-LJQANCHMSA-N 416.543 3.253 0 40 HGAB Cc1cc(N2CCN(C(=O)c3cc(-c4cnn(C)c4C)no3)CC2)nc2ccccc12 19118971 LQYIGSIKQJTSHW-UHFFFAOYSA-N 416.485 3.203 0 40 HGAB Cc1ccc(-c2cccc(C[C@]3(C(N)=O)CN(C(=O)C4CCCC4)CCO3)c2)cc1 19212648 RFQRHZRYECMQAP-RUZDIDTESA-N 406.526 3.478 0 40 HGAB COc1ccccc1N1C[C@@H](c2cc(=O)[nH]c(NCc3ccccc3C)n2)CC1=O 19237284 NXGMUWZWGLOOEV-KRWDZBQOSA-N 404.470 3.220 0 40 HGAB O=S(=O)(c1ccccc1F)N1CCc2cc3c(cc2[C@@H]1C1CCOCC1)OCO3 19349838 RPXHLYOKKHNZBU-NRFANRHFSA-N 419.474 3.269 0 40 HGAB O=C1NCCN(C(=O)c2ccncc2)C[C@@H]1Cc1ccc(-c2ccccc2F)cc1 19368413 PMVHQSOSYAMGMZ-FQEVSTJZSA-N 403.457 3.319 0 40 HGAB O=C1C[C@@H](C(=O)N2CCC[C@]3(CCC(=O)N3)[C@H]2c2cccc(F)c2)c2ccccc2N1 19374878 JRNKYOHQPSUOQL-XANCMCCPSA-N 421.472 3.264 0 40 HGAB COc1ccc(OC)c(-c2csc(NC(=O)[C@@H]3CC(=O)N(CC(C)C)C3)n2)c1 19447143 SKHFLXJNUPOAFV-CYBMUJFWSA-N 403.504 3.270 0 40 HGAB CN1C(=O)N(CC(=O)Nc2ccccc2OCc2ccccn2)C(=O)C12CCCCC2 19661355 ARSYSYKHESRNRG-UHFFFAOYSA-N 422.485 3.196 0 40 HGAB CN(C)c1ncc(-c2ccc(Cl)cc2)c([C@@H]2CCCN(C(=O)C(C)(C)O)C2)n1 19694177 YXFZIUBZKNNCTO-OAHLLOKOSA-N 402.926 3.340 0 40 HGAB Cc1nc([C@@H]2CCN(Cc3ncc[nH]3)C2)nc2c1CCC(=O)N2CC1CCCCC1 19738901 IWTAGELQLDVKKT-GOSISDBHSA-N 408.550 3.357 0 40 HGAB Cc1c([C@H](O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)c2ccccc2n1C 20391298 PYCPCFCXBYTRBO-OAQYLSRUSA-N 407.514 3.067 0 40 HGAB CCOC(=O)c1c(NC(=O)CN2CCOCC2)sc(C)c1-c1ccc(C)cc1 21822450 CJOIARMZVXWJPF-UHFFFAOYSA-N 402.516 3.479 0 40 HGAB C[C@H]1CCC=C2C[C@H]3OC(=O)[C@H](CN4CCN(Cc5ccccc5)CC4)[C@H]3[C@H](O)[C@@]21C 22456927 WRMKBSBJQCLVBI-LFBVJSBHSA-N 424.585 3.089 0 40 HGAB COc1ccc([C@H](CNC(=O)c2c(F)cccc2Cl)N2CCN(C)CC2)cc1 22794397 BQKLGSFHAHUAOF-IBGZPJMESA-N 405.901 3.206 0 40 HGAB Cc1ccc(N2C(=O)[C@@H]3N=NN(Cc4nc(-c5ccccc5)no4)[C@H]3C2=O)cc1Cl 23126511 HSZGVDYKASHYPC-IAGOWNOFSA-N 422.832 3.192 0 40 HGAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)c3ccccc3)CC2)cc1 23652095 VANTVCYKUPIIDB-KRWDZBQOSA-N 416.543 3.363 0 40 HGAB O=C1CCCN1c1ccc(OS(=O)(=O)c2cccc(OC(F)(F)F)c2)cc1 24375697 NRSJOMJRSNVTPL-UHFFFAOYSA-N 401.362 3.480 0 40 HGAB CCOc1cc2c(cc1NC(=O)[C@@H]1CC(=O)N(c3ccc4c(c3)OCO4)C1)O[C@H](C)C2 24772865 VBBKYVIYNAUEMH-UKRRQHHQSA-N 424.453 3.129 0 40 HGAB Cc1cc(C)c2nc(-c3cccs3)cc(C(=O)N[C@@H]3CCS(=O)(=O)C3)c2c1 27976923 HVTBTVNBMSSCNJ-CQSZACIVSA-N 400.525 3.497 0 40 HGAB COc1ccc(C(=O)N2CCN(C(=O)COc3cccc4ccccc34)CC2)cc1 29118462 CDGVQQATLSKZNB-UHFFFAOYSA-N 404.466 3.212 0 40 HGAB O=C(OC[C@@H]1CCCO1)c1cc2c(cc1Cl)N1CCCCCC1=NS2(=O)=O 32666674 XLZQMCCJURRXEM-LBPRGKRZSA-N 412.895 3.157 0 40 HGAB CCCCC[C@H](C)NS(=O)(=O)c1cc2c(cc1Br)NC(=O)CO2 32825714 UUMNDOJWCIVASC-JTQLQIEISA-N 405.314 3.027 0 40 HGAB Cc1[nH]c(C(=O)NCc2nnc3ccc(C(F)(F)F)cn23)c(C)c1C(=O)OC(C)C 32842074 UWQJGAFXMIFWOI-UHFFFAOYSA-N 423.395 3.188 0 40 HGAB CC(C)CCc1ccc(S(=O)(=O)Nc2cccc(-n3ccc(C(N)=O)n3)c2)cc1 32932373 QKVICEGGYCYJHR-UHFFFAOYSA-N 412.515 3.361 0 40 HGAB Cc1ccc2[nH]cc(CCN3C[C@@H](C(=O)Nc4ccc5c(c4)OCCO5)CC3=O)c2c1 35558720 GKNWCEPGMRBRGZ-KRWDZBQOSA-N 419.481 3.277 0 40 HGAB CCCS(=O)(=O)N1CCC[C@@H](C(=O)N[C@@H](c2ccccc2)c2ccc(F)cc2)C1 40132979 YPAUWXGHTAPXTK-CTNGQTDRSA-N 418.534 3.483 0 40 HGAB Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O 40142588 GRMFNTITPJDBRH-QGZVFWFLSA-N 402.516 3.354 0 40 HGAB O=C(NCc1ccc2c(c1)OCO2)c1cccc(NS(=O)(=O)c2cccs2)c1 40142811 OIBATTHGMSBVPO-UHFFFAOYSA-N 416.480 3.208 0 40 HGAB CCOC(=O)c1c(C)oc2ncn(Cc3ccc(OCC(F)(F)F)cc3)c(=O)c12 40146122 BGGDONUPTBAMAN-UHFFFAOYSA-N 410.348 3.464 0 40 HGAB CN1C(=O)c2ccccc2[C@H](C(=O)Nc2cccnc2)[C@@H]1c1ccc2c(c1)OCO2 40268353 FEVZCDGLFWVTNJ-SFTDATJTSA-N 401.422 3.360 0 40 HGAB O=C(CCCc1nc(-c2cccs2)no1)NCc1ccc(Cn2cncn2)cc1 42881996 NRLJSFAGOUKFID-UHFFFAOYSA-N 408.487 3.077 0 40 HGAB COc1ccc(NC(=O)Cn2c(Nc3cccc(F)c3)nc(C)cc2=O)c(OC)c1 57506099 JWRUTJCZCUOYHA-UHFFFAOYSA-N 412.421 3.090 0 40 HGAB Cc1ccc(NC(=O)C(=O)N(C)CC(=O)Nc2ccc(Br)cc2C)cc1 72274607 SGCHGQHGMZXPEI-UHFFFAOYSA-N 418.291 3.102 0 40 HGAB O=C(O)c1ccccc1CC(=O)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 72400868 IQYXPDDMGFZNAX-UHFFFAOYSA-N 407.392 3.080 0 40 HGAB CC(C)(C)OC(=O)C1(NC(=O)CCn2cnc3sccc3c2=O)CCCCC1 89661664 HOINOBSLJRWVAQ-UHFFFAOYSA-N 405.520 3.009 0 40 HGAB CC(=O)C1=NN(c2ccc(Cl)cc2)[C@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@H]12 100077701 KAXLLGBUNXXNSL-NVXWUHKLSA-N 402.237 3.317 0 40 HGAB CCOC(=O)c1sc(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)nc1-c1ccccc1 102258447 FNLHSZXVXWSASZ-AJNGGQMLSA-N 412.467 3.448 0 40 HGAB NC(=O)c1c(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2CC3)sc2c1CCc1ccccc1-2 102335210 SEYHZYZQXTWQKY-CLROSIBMSA-N 422.506 3.464 0 40 HGAB CCOC(=O)CN1C(=O)S/C(=C\c2ccc(OC(F)F)c(OCC)c2)C1=O 106743720 LVHFWIDYQUTTEQ-JYRVWZFOSA-N 401.387 3.286 0 40 HGAB CS(=O)(=O)c1ccc2c(c1)sc1nc(=O)c(/C=C3/C=Nc4ccccc43)c(N)n12 136879587 MWPLYWPZZDGRSM-FLIBITNWSA-N 422.491 3.151 0 40 HGAB Cc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)Nc3ccccc3C(N)=O)c2)cc1 222547877 FQBBCHCZZRLWAI-UHFFFAOYSA-N 423.494 3.171 0 40 HGAB CCOc1ccccc1CCCNC(=O)c1cccc(N2CCCCS2(=O)=O)c1 222557577 FLUHDOGMJJTITO-UHFFFAOYSA-N 416.543 3.378 0 40 HGAB O=S(=O)(c1ccc(Br)s1)N1CC[C@H](c2ccc3c(c2)OCO3)C1 225678660 ODJFCAYCEQCGFX-NSHDSACASA-N 416.318 3.418 0 40 HGAB COc1ccc(NC(=O)C2(NS(=O)(=O)c3cccs3)CC2)c2ccccc12 225930356 WGHRTDQFMDRFTI-UHFFFAOYSA-N 402.497 3.360 0 40 HGAB COc1ccc(NC(=O)[C@@]2(C)CCCN(Cc3ccccc3)S2(=O)=O)c(C)c1 225952622 VVZVZCLIQDOORM-OAQYLSRUSA-N 402.516 3.327 0 40 HGAB CCCc1ncc(CN2CCC[C@@H]([C@H]3CN(C(C)=O)Cc4ccccc4O3)C2)cn1 247962715 WARHGDVHAMOJPZ-NFBKMPQASA-N 408.546 3.451 0 40 HGAB CCCN1CCN(C(=O)c2c[nH]cn2)C[C@@H](Cc2ccccc2-c2ccncc2)C1=O 257202580 AMLSSRCMUPKCAM-HXUWFJFHSA-N 417.513 3.025 0 40 HGAB Cc1nc(C(=O)N2CCN(C)[C@H](c3nnn4cc(-c5ccsc5)ccc34)C2)cs1 306133286 MHOKFQQLRFHWRP-SFHVURJKSA-N 424.555 3.352 0 40 HGAB COC(=O)c1ccc(Cl)c(NC(=O)CCCN(c2ccccc2)S(C)(=O)=O)c1 408694818 IBNYCZMNCZEAKS-UHFFFAOYSA-N 424.906 3.312 0 40 HGAB O=C1N/C(=C/c2ccc3c(c2)OCCO3)C(=O)N1Cc1ccc(Br)cc1 408928839 FEDCHPXDHRQJIT-OQLLNIDSSA-N 415.243 3.313 0 40 HGAB CO[C@H]([C@H](C)C(=O)N[C@H](C)[C@@H](O)c1ccccc1)[C@@H]1CCCN1C(=O)OC(C)(C)C 504148187 XJDVGABQIFOWFC-KRFUXDQASA-N 420.550 3.275 0 40 HGAB CCCCc1ccc(CNC[C@]2(O)CN(C(=O)CCc3ccccc3)CC[C@H]2O)cc1 585286760 URQFKURDXOPPQE-RSXGOPAZSA-N 424.585 3.076 0 40 HGAB O=C(c1ccncc1)N1CCCCCc2cc(Cl)ccc2OC[C@@H](O)[C@@H](O)CC1 1615162318 VSWJSUCSFOYVLM-VQTJNVASSA-N 418.921 3.095 0 40 HGAB O=C(CN1CC[C@@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@H]21)N1CCc2ccccc21 2086889745 WFBAJBBJCKHIQL-VQIMIIECSA-N 416.447 3.200 0 40 HGAB COc1c(OC)c(OC)c2c(=O)cc(-c3ccc(OC(C)=O)cc3)oc2c1OC 1693140 GPKHJXVBFIQGKO-UHFFFAOYSA-N 400.383 3.420 0 40 HGAB biogenic,in-vitro COCCNC(=S)N(Cc1cccnc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O 2074596 ZPSLVHFZEXRJHA-UHFFFAOYSA-N 410.543 3.063 0 40 HGAB CCCCN1C(=O)c2ccc(C(=O)Nc3ccccc3N3CCOCC3)cc2C1=O 2654490 DUJLNQRAEDJSGD-UHFFFAOYSA-N 407.470 3.172 0 40 HGAB Cc1cc(NC(=O)CN2C(=O)NC3(CCCCCC3)C2=O)ccc1Br 2664245 UYYNBDQGIVOMTN-UHFFFAOYSA-N 408.296 3.341 0 40 HGAB CCOC(=O)C1=C(c2ccccc2)NC(=O)N[C@@H]1c1cc(OC)c(OC)c(OC)c1 2802086 KQBDQWSNFWMTIU-LJQANCHMSA-N 412.442 3.041 0 40 HGAB CCOC(=O)C1=C2N3CCCCCC3=NN2C(=O)N[C@@]1(c1ccccc1)C(F)(F)F 3249264 MXDGSMOCFGGJKN-LJQANCHMSA-N 422.407 3.447 0 40 HGAB O=C1COc2ccc(C(=O)CSc3nnc(C4CC4)n3-c3ccccc3)cc2N1 3520156 FSRGMLYMXSMJKY-UHFFFAOYSA-N 406.467 3.451 0 40 HGAB O=C(CN1CCCC1)Nc1ccc(Cc2ccc(NC(=O)CN3CCCC3)cc2)cc1 4114057 YNNKKMKHXXUFLP-UHFFFAOYSA-N 420.557 3.346 0 40 HGAB CCOC(=O)c1sc(NS(=O)(=O)c2ccc(Br)cc2)nc1C 4742269 DENLGOJOPCUGGQ-UHFFFAOYSA-N 405.295 3.192 0 40 HGAB O=C(NC1CCCCCCC1)c1cccc(NC2=N[C@H]3CS(=O)(=O)C[C@@H]3S2)c1 6739092 WUZFJRFYCXKNEV-ROUUACIJSA-N 421.588 3.210 0 40 HGAB CC(C)CNC(=O)NC(=O)CSc1nnc(-c2cc3c(s2)CC[C@H](C)C3)o1 7130625 SIOHECKLFBYBOA-NSHDSACASA-N 408.549 3.497 0 40 HGAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2nnc(C(F)(F)F)n2C)c1C 7198366 ARPXDTZDSZZAKW-SECBINFHSA-N 404.414 3.319 0 40 HGAB CC(C)[C@H](NC(=O)CSc1nnc2n1CCCCC2)c1ccc2c(c1)OCCO2 7280953 NPYUUHKJUHYLKW-FQEVSTJZSA-N 416.547 3.381 0 40 HGAB COc1ccc(C(=O)N[C@@H](C)c2cccc(Cl)c2)cc1S(=O)(=O)NC1CC1 7312943 MVKGVIPDMIDXIM-LBPRGKRZSA-N 408.907 3.280 0 40 HGAB CC(C)(C)OC(=O)Nc1ccc(C(=O)OCCN2C(=O)c3ccccc3C2=O)cc1 7547756 OXCFPAPMXXMWNW-UHFFFAOYSA-N 410.426 3.487 0 40 HGAB CCOC(=O)c1c(C)oc2ncn(CC(=O)N[C@H](C)c3ccc(Cl)cc3)c(=O)c12 7554040 UYENCAQUCXPEHE-LLVKDONJSA-N 417.849 3.005 0 40 HGAB CSc1nc2nc(C)c(CC(=O)Nc3ccc(Br)cc3)c(C)n2n1 7918050 ZLPMXYXGJLQBIV-UHFFFAOYSA-N 406.309 3.407 0 40 HGAB Cc1cccc(N2C[C@H](C(=O)Oc3ccc(N4C(=O)CCCC4=O)c(C)c3)CC2=O)c1 7928571 XHLHOPHKSXZKKL-QGZVFWFLSA-N 420.465 3.305 0 40 HGAB C[C@H](NC(=O)CNC(=O)Cc1cccc2ccccc12)c1ccc2c(c1)OCCO2 7989515 QSRQPVJZFCZOLL-INIZCTEOSA-N 404.466 3.147 0 40 HGAB COc1cc(OC)c(C(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C)C3)cc1OC 8075893 SYJTYNBJNOIDSY-SNVBAGLBSA-N 404.488 3.250 0 40 HGAB Cc1ccc(Cl)cc1N1CCN(C(=O)CN2C(=O)CCOc3ccccc32)CC1 8139956 BGKIKHDCKRMZOO-UHFFFAOYSA-N 413.905 3.113 0 40 HGAB CC[C@@H](C)N(C(=O)COc1ccc(Cl)c2cccnc12)[C@H]1CCS(=O)(=O)C1 8195921 SDDIIPMSSCHGTB-KGLIPLIRSA-N 410.923 3.081 0 40 HGAB O=C(CCN1C(=O)NC2(CCCC2)C1=O)Nc1ccc(OCc2ccccc2)cc1 8341741 YHSLHVGZHFHVOP-UHFFFAOYSA-N 407.470 3.459 0 40 HGAB Cc1nc(NS(=O)(=O)c2ccccc2)sc1C(=O)NCc1c(F)cccc1F 8978049 GCMYITNUPLYPEM-UHFFFAOYSA-N 423.466 3.461 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC[C@@H]4CCCC[C@H]4C3)CC2)cc1 9482201 IYLMKUVHAOZETR-HKUYNNGSSA-N 420.575 3.135 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)NCCc2ccc(F)cc2)cc1 9516023 LAIHAMBDAFDXSH-INIZCTEOSA-N 421.538 3.459 0 40 HGAB COc1ccc(N([C@@H](C)C(=O)NCc2ccccc2C)S(C)(=O)=O)cc1Cl 10313829 SOFGVTNYQIJMCE-AWEZNQCLSA-N 410.923 3.128 0 40 HGAB O=C(C1CCCC1)N1CCC[C@@H](c2nc(N3CCOCC3)ncc2-c2ccncc2)C1 12089341 JDCZRQQCFYSBTQ-HXUWFJFHSA-N 421.545 3.271 0 40 HGAB Cc1csc([C@H](Cc2ccsc2)NC(=O)CCn2c(C)cc(C)nc2=O)n1 12227758 MFZGWLDJOLDHEK-INIZCTEOSA-N 402.545 3.177 0 40 HGAB Cc1ccc2c(c1)C(=O)C[C@@H]([C@H]1CCCN(C(=O)c3cc(-c4cnn(C)c4)no3)C1)O2 12237149 KDJOFUQHVKTZMU-BTYIYWSLSA-N 420.469 3.270 0 40 HGAB COc1cc(CC[C@H](O)C[C@@H]2c3c(cc4c(c3OC)OCO4)CCN2C)ccc1O 12661122 YFGLNZHQZLOTLC-DLBZAZTESA-N 415.486 3.051 0 40 HGAB biogenic Cc1cccc(C)c1NC(=O)CNC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 12810644 VSJVCPHEZFXEDU-UHFFFAOYSA-N 411.477 3.050 0 40 HGAB CCOc1ccc(OCC(=O)Nc2c(C(=O)N3CCOCC3)oc3ccccc23)cc1 12853972 CNXMHZCHEHPRKX-UHFFFAOYSA-N 424.453 3.321 0 40 HGAB CC(C)(C)c1ccc(C(=O)N2C[C@H](C(=O)N3CCOCC3)Oc3ccccc32)cc1 12912447 RESWTFMGJPMLDN-OAQYLSRUSA-N 408.498 3.251 0 40 HGAB CS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1nc(-c2cccs2)cs1 13013987 UNNBEOQQTNDDQH-HNNXBMFYSA-N 419.553 3.197 0 40 HGAB O=C(NCCCn1nc(-c2ccc(F)cc2)ccc1=O)Nc1ccc2c(c1)OCCO2 13802183 LMDACLRFCVRSJO-UHFFFAOYSA-N 424.432 3.032 0 40 HGAB COc1ccc(OC)c(S(=O)(=O)Nc2c(C)nn(Cc3ccccc3)c2C)c1 14223466 VECUFCCENJDDDD-UHFFFAOYSA-N 401.488 3.366 0 40 HGAB COc1ccccc1-c1noc(COC(=O)[C@@]23CCC(=O)N2c2ccccc2S3)n1 14236936 LHRWEOJIKAUCDI-NRFANRHFSA-N 423.450 3.417 0 40 HGAB Cc1cc2oc(=O)cc(COC(=O)C[C@@H](NC(N)=O)c3cccs3)c2cc1C 14409311 OBACETCLBUJKFS-OAHLLOKOSA-N 400.456 3.314 0 40 HGAB Cc1cc(F)ccc1S(=O)(=O)Nc1ccccc1C(=O)OCC(=O)OC(C)C 14852284 BCOLKFGDTAGFSN-UHFFFAOYSA-N 409.435 3.043 0 40 HGAB COc1cc(CCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc(OC)c1 15579504 GSPUUBXLUAJLQN-UHFFFAOYSA-N 418.515 3.060 0 40 HGAB O[C@@H]1C[C@@H](c2nc(-c3ccc(OC(F)(F)F)cc3)no2)N(Cc2ccncc2)C1 15674265 HVQSKBQAVMAILQ-ZBFHGGJFSA-N 406.364 3.338 0 40 HGAB biogenic,in-vitro O=C(COc1ccc(S(=O)(=O)NC2CCCC2)cc1)Nc1c(F)cccc1F 16384125 WNEJCHCICBDSJH-UHFFFAOYSA-N 410.442 3.203 0 40 HGAB Cc1ccc(-c2cccc(C[C@]3(C(=O)N(C)C)CN(C(=O)C4CC4)CCO3)c2)cc1 19212637 FLWMEWLHRLKEIX-RUZDIDTESA-N 406.526 3.300 0 40 HGAB O=C(CO)N1CCC(c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](c2cccs2)N3)CC1 19343884 JSAZCZUNIGDCBV-DZGCQCFKSA-N 414.453 3.303 0 40 HGAB O=C(C[C@H]1NC(=O)N(C2CCCCC2)C1=O)Nc1ccccc1CN1CCCCC1 19349074 RQGCNWJNZUOCTJ-HXUWFJFHSA-N 412.534 3.254 0 40 HGAB O=C(c1ccncc1)N1Cc2ccccc2OC2(CCC(N3CCOCC3)CC2)C1 19375587 ZYTUVCLIORXTBM-UHFFFAOYSA-N 407.514 3.130 0 40 HGAB CC[C@@H](C)C(=O)N1CCc2cc([C@@H](O)CN3CCCN(c4ccccn4)CC3)ccc21 19499894 ZJHLLYIYFSJPRX-XXBNENTESA-N 422.573 3.263 0 40 HGAB CCOc1ccccc1CN1CCC2(CC1)C[C@@]1(CO2)NC(=O)c2ccccc2N1 19520171 SOASZPMVXMYUAS-DEOSSOPVSA-N 407.514 3.392 0 40 HGAB COc1ccc(N2C[C@H](C(=O)N3CCC[C@H]3c3ccc(OC)c(OC)c3)CC2=O)cc1 19556320 KADQEFYOVGACOQ-XLIONFOSSA-N 424.497 3.429 0 40 HGAB Cc1ccc(NC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)c(Br)c1 19680080 WZWDLVHEHKZDFN-UHFFFAOYSA-N 409.305 3.332 0 40 HGAB CCc1nc(-c2cncnc2[C@@H]2CCN(C(=O)c3nccc4ccccc34)C2)no1 19693872 BLUUCMAOXSCNCU-OAHLLOKOSA-N 400.442 3.267 0 40 HGAB CCS(=O)(=O)N1CCC[C@H](c2nc(C)c3c(n2)N(Cc2ccccc2)CCC3)C1 19706717 YZIABTHZGBJEAE-IBGZPJMESA-N 414.575 3.267 0 40 HGAB COCCNC(=O)c1cc([C@@H]2CCN(Cc3cnc(C)s3)C2)nc2ccccc12 19761102 FOPLOHYKAYHPLI-MRXNPFEDSA-N 410.543 3.365 0 40 HGAB CC[C@@H](NC(=O)[C@@H]1CN(S(=O)(=O)CC)c2ccccc2O1)c1ccc(C)cc1 20490342 WYKDVTIWLPARSO-XLIONFOSSA-N 402.516 3.180 0 40 HGAB CCNc1nc(N2CCN(c3ccccn3)CC2)nc2c1C(=O)C[C@H](c1ccco1)C2 20801931 CAAXELIIGWLSSK-MRXNPFEDSA-N 418.501 3.136 0 40 HGAB COCCNc1nnc(SCc2cc3c(cc2Br)OCCO3)s1 24797675 OIPJFBCCTYJEJF-UHFFFAOYSA-N 418.338 3.422 0 40 HGAB O=C(CCn1nc(-c2cccs2)oc1=O)OCc1nc2ccccc2n1C(F)F 25629399 QKLINTPMXLZYTL-UHFFFAOYSA-N 420.397 3.443 0 40 HGAB Cc1ccc(S(=O)(=O)N2C(=O)CC[C@H]2C(=O)Nc2cccc3ccccc23)cc1 28209493 WXNVJPHCEHPBRZ-FQEVSTJZSA-N 408.479 3.467 0 40 HGAB COc1ccc(Br)c(C(=O)N2CCN(C(=O)c3ccc(F)cc3)CC2)c1 29317813 XKSLOYXIUDQINQ-UHFFFAOYSA-N 421.266 3.195 0 40 HGAB COc1ccc(/C=C/C(=O)N[C@@H](CN2CCOCC2)c2ccc(C)cc2)cc1OC 30536318 IZANPCWTLXGLLB-AKERNLMBSA-N 410.514 3.215 0 40 HGAB CSc1ccc([C@H]2SCC(=O)Nc3c2c(C)nn3-c2ncnc3[nH]cnc23)cc1 31808045 HDAWIIHVFYQJDD-MRXNPFEDSA-N 423.527 3.344 0 40 HGAB COc1ccccc1OCC(=O)N1N=C(C2CCCCC2)C[C@]1(O)C(F)(F)F 32100806 OSOBBWATFVSCLD-SFHVURJKSA-N 400.397 3.494 0 40 HGAB CCN(CC(=O)Nc1ccc2c(c1)OCCO2)S(=O)(=O)c1cccc(Cl)c1C 32404478 WNEIQGNKHUYECH-UHFFFAOYSA-N 424.906 3.069 0 40 HGAB O=C(NC1CC1)c1cc(NC[C@@H]2CN(Cc3ccccc3)CCO2)nc2ccccc12 32837504 WNEHNUBZBLYUDR-HXUWFJFHSA-N 416.525 3.440 0 40 HGAB O=C(Cn1cnc2c(oc3ccccc32)c1=O)NCc1ccccc1Br 33277256 KNVCVTQHKKONSX-UHFFFAOYSA-N 412.243 3.222 0 40 HGAB O=C(NCc1cccnc1)c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1 34684070 AALUGVZFLFKGHB-UHFFFAOYSA-N 400.526 3.329 0 40 HGAB O=C(CN1CCN(C(=O)CCc2ccc(Cl)cc2)CC1)Nc1cccc(F)c1 35284081 SUNRPFYAYBKCCI-UHFFFAOYSA-N 403.885 3.195 0 40 HGAB O=C(CN1CCN(C(=O)CC2CCCC2)CC1)Nc1ccc(OC(F)(F)F)cc1 36383926 GLHHKXMVCFPZKO-UHFFFAOYSA-N 413.440 3.248 0 40 HGAB CCCn1nc(C(=O)NC[C@@H](c2ccccc2)N2CCc3sccc3C2)ccc1=O 40107178 QNMRGGQESAZUQE-FQEVSTJZSA-N 422.554 3.244 0 40 HGAB C[C@H]1C[C@@H]1c1ccc(/C=C/C(=O)NCCCN2CCN(C(=O)OC(C)(C)C)CC2)o1 40119357 BRNMUYUTPMOACZ-VDWITTOHSA-N 417.550 3.475 0 40 HGAB COc1ccc(Cc2cnc(NC(=O)[C@H]3CCCN(C(=O)N(C)C)C3)s2)cc1 40132662 RPIZRUJHHUWSGZ-HNNXBMFYSA-N 402.520 3.075 0 40 HGAB O=C(Nc1cccc(Cn2cncn2)c1)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 40146951 XITJBGXUBXPKBV-SFHVURJKSA-N 423.904 3.471 0 40 HGAB CCCCOC(=O)c1ccc(NC(=O)[C@@]23CCC(=O)N2c2ccccc2C(O)=N3)cc1 40310136 YFXCJMMQMTYZFW-HSZRJFAPSA-N 421.453 3.424 0 40 HGAB biogenic C[C@@H](NC(=O)C1CCN(Cc2ccc(F)cc2)CC1)c1ccc(S(C)(=O)=O)cc1 44857140 QJTKAZGIMYVMKF-MRXNPFEDSA-N 418.534 3.319 0 40 HGAB CC(=O)NCCC(=O)NC[C@@H](c1ccc(Cl)cc1)N1CCc2sccc2C1 46721051 MNVVAZSBEGFOES-SFHVURJKSA-N 405.951 3.143 0 40 HGAB CSc1nc2nc(C)c(CC(=O)NCCSCc3ccsc3)c(C)n2n1 48365032 XPZYGGBSSVAJIP-UHFFFAOYSA-N 407.590 3.117 0 40 HGAB Cc1ccc(NC(=O)Cn2nc3c(Oc4ccccc4)nccn3c2=O)c(Cl)c1 49008259 ZZGQASNXCRGUMR-UHFFFAOYSA-N 409.833 3.284 0 40 HGAB COc1ccc(N2C[C@H](C(=O)NCc3cccc(Br)c3)CC2=O)cc1 57416356 GAGXZVLUDIJVIH-CQSZACIVSA-N 403.276 3.127 0 40 HGAB Cc1ccc(-c2ccc(=O)n(CC(=O)N3CCN(c4ccccc4F)CC3)n2)cc1C 57427509 NWIUDJUMMSCZNZ-UHFFFAOYSA-N 420.488 3.015 0 40 HGAB Cc1ccccc1NC(=O)Cn1c(=O)n(-c2ccccc2C)c(=O)c2sccc21 57489703 AZMBTRPGHVRQAK-UHFFFAOYSA-N 405.479 3.469 0 40 HGAB O=C(Cn1c(=O)n(-c2ccccc2F)c(=O)c2sccc21)Nc1cccc(F)c1 57490553 NIEIXGDMZCJFON-UHFFFAOYSA-N 413.405 3.131 0 40 HGAB COC(=O)c1[nH]c2cccc(C)c2c1NC(=O)CN1CCN(c2ccccc2)CC1 61943456 RCBLBIWHIRLJGC-UHFFFAOYSA-N 406.486 3.024 0 40 HGAB COc1cccc(NC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2Cc2ccco2)c1 67236225 VTXZQUOBOOSOFM-UHFFFAOYSA-N 424.482 3.414 0 40 HGAB CSc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccc(NC(C)=O)cc3)n2)cc1 71286253 QGVPYYFUFNQPAX-UHFFFAOYSA-N 408.483 3.229 0 40 HGAB COc1ccc(CN2CCN(c3ccc(Br)c(OC)n3)CC2)cc1OC 72190155 VAKYVNYLCIABRV-UHFFFAOYSA-N 422.323 3.192 0 40 HGAB investigational CCOc1ccc(CC(=O)OCC(=O)Nc2cc(OC)cc(OC)c2)cc1OCC 72330924 QBNWYWRVNKQSKW-UHFFFAOYSA-N 417.458 3.226 0 40 HGAB C[C@H]1CCC[C@H](C)N1C(=O)CN1C(=O)N2CCCN=C2c2cnn(-c3ccccc3)c21 72335756 JPMFVIHURRYCOX-IRXDYDNUSA-N 420.517 3.054 0 40 HGAB O=S(=O)(c1cn[nH]c1)N1CCC[C@H](c2cccc(Cc3ccc(F)cc3)n2)C1 72350428 HUJBUGAHBWFRKQ-INIZCTEOSA-N 400.479 3.103 0 40 HGAB CNc1nc([C@H]2CCCCN2C)nc2c1CCN(C(=O)CCc1ccc(OC)cc1)C2 72376551 GCTMHUFQFRBGOP-OAQYLSRUSA-N 423.561 3.201 0 40 HGAB CCc1nc(C2(NC(=O)C3CCN(C(=O)/C=C/c4ccccc4)CC3)CCCC2)no1 89289981 IREBYLNSBACJEZ-ZHACJKMWSA-N 422.529 3.470 0 40 HGAB O=C(NCCCc1nnc2n1CCCC2)C1(c2cccc(Cl)c2)CCOCC1 95451300 ADOKBFWCFOZWMZ-UHFFFAOYSA-N 402.926 3.065 0 40 HGAB O=C1c2ccccc2N2C(=O)CC[C@]2(C(=O)N[C@@H]2C=CCCC2)N1Cc1ccccc1 95939831 PLVGSXPZQYZQOR-CLOONOSVSA-N 415.493 3.391 0 40 HGAB COc1ccc(CN2CCC3(CC[C@@H]3NS(=O)(=O)c3ccccc3)CC2)cc1 96051634 ISBKUKVTICNGGW-NRFANRHFSA-N 400.544 3.418 0 40 HGAB COc1ccc(CCCNC(=O)CCCN(c2cccc(C)c2)S(C)(=O)=O)cc1 219619244 COHBYNQEFHOKHS-UHFFFAOYSA-N 418.559 3.299 0 40 HGAB CN(CCCC(=O)Nc1ccc(Br)cc1)S(=O)(=O)c1ccccc1 219707825 ZLZRUCOJGVMSAV-UHFFFAOYSA-N 411.321 3.489 0 40 HGAB Cc1ccccc1CSCCNC(=O)[C@H](C)N(c1ccccc1F)S(C)(=O)=O 220303088 AJOANFALMSUUFM-INIZCTEOSA-N 424.563 3.338 0 40 HGAB O=C(NCC(=O)N1CCC[C@@H](Cc2nc(-c3ccccc3F)no2)C1)c1ccccc1 220673746 SJPXSMOYJZOTLB-INIZCTEOSA-N 422.460 3.087 0 40 HGAB CN(C(=O)COc1ccc(S(=O)(=O)NC2CCCCC2)cc1)c1ccc(F)cc1 222629637 GRIADNOFZNUWQH-UHFFFAOYSA-N 420.506 3.479 0 40 HGAB COc1ccc(S(=O)(=O)NCCNc2ccnc3cc(Cl)ccc23)cc1OC 222978802 PMQJRHBFSQBKKI-UHFFFAOYSA-N 421.906 3.296 0 40 HGAB CCc1cc(S(=O)(=O)NCc2nc(-c3cccc(Cl)c3)no2)ccc1OC 223622130 GLDNTAPPICLNRQ-UHFFFAOYSA-N 407.879 3.440 0 40 HGAB COC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(C)c(N3CCCC3=O)c2)c1 223839324 XDLJAHWLAIJIPR-UHFFFAOYSA-N 402.472 3.018 0 40 HGAB CCc1ccc(CC)c(CNC(=O)[C@H]2CCN(S(C)(=O)=O)c3ccccc3O2)c1 225288493 VBOQFMDAYWNKTE-OAQYLSRUSA-N 416.543 3.045 0 40 HGAB CCOC(=O)COc1ccc(NC(=O)C2(C)COC(c3ccccc3F)OC2)cc1 225920118 YUMJKSGVCADRPM-UHFFFAOYSA-N 417.433 3.458 0 40 HGAB CCCOc1ccc(-c2nc3sc(=Cc4ccccc4[N+](=O)[O-])c(=O)n3n2)cc1 254550963 XEQTVALXXHDPPX-UHFFFAOYSA-N 408.439 3.063 0 40 HGAB C[C@@H]1CC[C@@H]2[C@@H](C1)c1c(ccc(C(=O)N3CCC(C(N)=O)CC3)c1O)OC2(C)C 257204395 AUJMTRLJFILQKF-KBRIMQKVSA-N 400.519 3.421 0 40 HGAB COc1ccc(C)cc1S(=O)(=O)N[C@@H](C)C(=O)Nc1ccc(F)c(Cl)c1 408561223 RKZCHRNVWQGOAY-NSHDSACASA-N 400.859 3.102 0 40 HGAB COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC[C@@H](C(=O)NCCC(C)C)C1 408700944 OTEOXTRWGFFESR-GOSISDBHSA-N 410.580 3.382 0 40 HGAB CC[C@@H](C)[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Nc1cc(OC)ccc1OC 408999308 QTNDYAZDHYKITH-FOIQADDNSA-N 420.531 3.344 0 40 HGAB COc1ccccc1NC(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O 409029183 ZAATYHPMEOLUSY-UHFFFAOYSA-N 403.287 3.407 0 40 HGAB Cc1cc(CN(C)C(=O)[C@H]2CCc3nnn(C)c3C2)cc(C)c1OCC(F)(F)F 580500973 GVGCTFSVJLTSSC-HNNXBMFYSA-N 410.440 3.137 0 40 HGAB O=C(c1cc2ccccc2oc1=O)N1CCCC[C@@H]1c1nnc(C2CCOCC2)o1 583621116 PXVKZFBCELGWHX-QGZVFWFLSA-N 409.442 3.437 0 40 HGAB Cn1cc(C(=O)N2CCC3(CCCN(Cc4ccccn4)C3)CC2)c(C(F)F)n1 585099798 BEDPQNIWFBLPMQ-UHFFFAOYSA-N 403.477 3.271 0 40 HGAB Cc1nc(Nc2nccs2)cc([C@H]2CCN(C(=O)/C=C/c3c(C)nn(C)c3C)C2)n1 585292413 LVHJCQQVUKQNTQ-JFDDCEBESA-N 423.546 3.365 0 40 HGAB Cc1c(C(=O)Nc2cccc(I)c2)cnn1-c1ccccn1 603564216 OEZACICSWZHXHX-UHFFFAOYSA-N 404.211 3.433 0 40 HGAB O=C1NC[C@@]2(CCCCCOc3ccccc31)CCCN(C(=O)C1CCOCC1)C2 643559317 FEIPUWKNUSZKHF-XMMPIXPASA-N 414.546 3.405 0 40 HGAB O=S(=O)(NC[C@H](O)c1cccc(F)c1)C1=Cc2cc(F)cc(Cl)c2OC1 1561287961 AIXZXPIOJYZRLU-INIZCTEOSA-N 401.818 3.005 0 40 HGAB O=C(Cc1ccc(F)cc1Br)N1CCC[C@@H](COc2ncccn2)C1 1775995015 KXDUZCPNJZHLEO-CYBMUJFWSA-N 408.271 3.238 0 40 HGAB CCS(=O)(=O)CCN1C(=O)CN=C(c2ccccc2F)c2cc(Cl)ccc21 608340 BSPSXMXQKZZNFP-UHFFFAOYSA-N 408.882 3.098 0 40 HGAB in-man COC(=O)c1ccc(NC(=O)CCc2ccc(S(=O)(=O)NC(C)(C)C)cc2)cc1 667291 RLEFHWBXGMEEAY-UHFFFAOYSA-N 418.515 3.121 0 40 HGAB CCOC(=O)[C@@H](C)n1cnc2sc(C(=O)Nc3ccccc3OC)c(C)c2c1=O 791239 OFGFPOOKVXLTDL-GFCCVEGCSA-N 415.471 3.151 0 40 HGAB Cc1cccc(OC[C@@H](O)Cn2c(=N)n(CCN3CCCCC3)c3ccccc32)c1 1238862 DDXGBMILSYHELN-FQEVSTJZSA-N 408.546 3.156 0 40 HGAB Cc1ccc(-n2c(N)c(C(=O)NC[C@@H]3CCCO3)c3nc4ccccc4nc32)cc1 2291135 UFLPIWUWLDEWPQ-INIZCTEOSA-N 401.470 3.373 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)/C=C/c3ccc(Cl)cc3)CC2)cc1 3517539 BUEBRHLAPHIGLG-IZZDOVSWSA-N 404.919 3.195 0 40 HGAB CS(=O)(=O)Nc1nc2n(n1)[C@@H](c1ccc(Cl)cc1)C[C@@H](c1ccccc1)N2 5185936 PTQMJPWQYRDWHN-JKSUJKDBSA-N 403.895 3.449 0 40 HGAB Cc1cc(C)cc(C(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)c1 5638249 UBBRPFAAPONRRO-UHFFFAOYSA-N 408.907 3.230 0 40 HGAB Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)N(C)c3ccccc3C)s2)c1 6818313 FTPFVOQJKPIXIS-UHFFFAOYSA-N 402.501 3.232 0 40 HGAB COc1cc(COC(=O)c2cc(S(C)(=O)=O)ccc2C)ccc1OC(F)F 7410327 UWUMDNKULVFNTE-UHFFFAOYSA-N 400.399 3.366 0 40 HGAB CSCC[C@H](NC(N)=O)C(=O)OCc1cc(=O)oc2cc(C)c(C(C)C)cc12 7483286 UEJZWEZWGNVPNI-INIZCTEOSA-N 406.504 3.058 0 40 HGAB CCNC(=O)COc1ccc([C@H]2Nc3ccccc3C(=O)N2C2CC2)cc1OCC 8190408 MIIYIXJDKGSLNW-QFIPXVFZSA-N 409.486 3.329 0 40 HGAB O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)c1ccc(Br)s1 8428949 DDFXCNOUIFIRFJ-QGZVFWFLSA-N 405.273 3.087 0 40 HGAB COc1ccccc1CNC(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccccc1 8613957 ZBXZLOXPKFBJCL-UHFFFAOYSA-N 422.506 3.377 0 40 HGAB CN(C(=O)CSc1nnc2ccccn12)c1ccccc1C(=O)NCc1ccco1 8735352 BZNXEPKQICANSY-UHFFFAOYSA-N 421.482 3.007 0 40 HGAB O=c1cc(-c2ccccc2Cl)nc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)[nH]1 8914188 KGKOUEAUSHXTJK-UHFFFAOYSA-N 424.888 3.141 0 40 HGAB CCn1c(C)c(C)n2c3c(=O)n(Cc4c(Cl)cccc4Cl)c(=O)n(C)c3nc12 9297228 DRLMWEWLNLSPQR-UHFFFAOYSA-N 420.300 3.141 0 40 HGAB O=S(=O)(c1ccc(SC[C@@H](O)COc2ccccc2)nc1)N1CCCCCC1 10400028 ITKAAGWXJUHFHK-KRWDZBQOSA-N 422.572 3.178 0 40 HGAB O=S(=O)(c1ccc(Cl)s1)N1CCN(c2ccc(-c3ccccc3)nn2)CC1 11695327 BMBILBHIPVMXBF-UHFFFAOYSA-N 420.947 3.369 0 40 HGAB COc1ccc(CC(=O)N[C@H](Cn2nc(-c3cccs3)ccc2=O)C(C)C)cc1 12220313 DDFOOHNPPBXUAH-LJQANCHMSA-N 411.527 3.364 0 40 HGAB CC[C@@H]1Oc2ccc([C@@H](O)c3ccco3)cc2N(CC(=O)NC2CCCCC2)C1=O 12233531 PZCFQHLLRNMFAM-PGRDOPGGSA-N 412.486 3.314 0 40 HGAB CN1CCN(c2ccccc2NC(=O)CCNC(=O)c2ccc(C(C)(C)C)cc2)CC1 12557655 BWGVMLZYQYVJBF-UHFFFAOYSA-N 422.573 3.495 0 40 HGAB CCN(Cc1cccs1)C(=O)c1ccc(OC)c(S(=O)(=O)N(CC)CC)c1 12920107 COXNDVSIMBXBQX-UHFFFAOYSA-N 410.561 3.450 0 40 HGAB CCCS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)c3ccc(C)s3)cc21 15781415 FXSMSMHHBBKBFC-UHFFFAOYSA-N 414.574 3.350 0 40 HGAB Cc1ccc(-n2nnnc2-c2cnc(NCC(=O)O)nc2-c2cccc(Cl)c2)cc1 16311592 VWVUDQLYVQQLPO-UHFFFAOYSA-N 421.848 3.245 0 40 HGAB O=S(=O)(c1ccc(Br)cc1Cl)N1CCN(Cc2ccco2)CC1 16736955 UVUYTNZYEBFGLW-UHFFFAOYSA-N 419.728 3.202 0 40 HGAB Cc1cc(-c2cnc(NCCNC(=O)c3cc[nH]n3)nc2-c2ccc(C)s2)on1 19217425 SFCBNOLBALQOEY-UHFFFAOYSA-N 409.475 3.042 0 40 HGAB CC(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCN(C(=O)c4ccnn4C)C3)cc2N1 19451373 BJQXZJZKGXCCRF-DVOMOZLQSA-N 410.444 3.190 0 40 HGAB CC(C)n1cnc2cc(C(=O)N3CCO[C@H](c4nc(-c5ccncc5)no4)C3)ccc21 19455006 JYLMIZHTDJBBSZ-IBGZPJMESA-N 418.457 3.276 0 40 HGAB CCCOc1ccc(-c2nc3s/c(=C/c4cccc(OC(C)=O)c4)c(=O)n3n2)cc1 19808189 UAMVZJLHDCARDS-CPNJWEJPSA-N 421.478 3.080 0 40 HGAB C[C@@H](Sc1nnc(C[C@H]2CCS(=O)(=O)C2)o1)C(=O)c1cccc(Cl)c1 21623864 PEHOVBIOFLSJDJ-GHMZBOCLSA-N 400.909 3.064 0 40 HGAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)cc1Cl 22539391 IMPVZTOWFFBNBF-VXGBXAGGSA-N 414.886 3.032 0 40 HGAB O=S(=O)(NC[C@H](c1ccsc1)N1CCOCC1)c1cccc2ccccc12 22767368 BXHLUPTXWFWNBW-LJQANCHMSA-N 402.541 3.253 0 40 HGAB Cc1cc(C)c(C)c(S(=O)(=O)N[C@@H](CN2CCOCC2)c2ccccc2)c1C 24293274 SXMZDBYEPNTRHC-NRFANRHFSA-N 402.560 3.272 0 40 HGAB C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)Nc1ccc(N2CCCC2=O)c(OC)c1 26688932 OLEWXMCVPIQGCS-HNNXBMFYSA-N 405.454 3.276 0 40 HGAB O=C1OCCN1c1cccc(NS(=O)(=O)c2cccc(OC(F)(F)F)c2)c1 31719907 DVYZSCIFYBZNEE-UHFFFAOYSA-N 402.350 3.343 0 40 HGAB Cc1ccc(-c2noc(-c3ccc(OCC(=O)N4CCCN(C)CC4)cc3)n2)cc1 32579045 AJEZRRCQUIYFOQ-UHFFFAOYSA-N 406.486 3.255 0 40 HGAB CCCc1nnc(C[C@@H]2C[C@@H](C(C)C)[C@H](CN3CCN(CCO)CC3)C=C2C)o1 35442699 SEUULPMQXPZIMG-ACRUOGEOSA-N 404.599 3.029 0 40 HGAB biogenic,in-vitro Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)O2 38860505 VFPMZJAPDBOWEM-INIZCTEOSA-N 414.405 3.180 0 40 HGAB C[C@H]1CCCN(Cc2ccccc2CNC(=O)CCN2C(=O)c3ccccc3C2=O)C1 40112266 NPJPNSXYESBKAI-SFHVURJKSA-N 419.525 3.221 0 40 HGAB COc1cc(F)c(S(=O)(=O)Nc2ccc(-c3nc(C)no3)cc2C)cc1OC 40152652 VXXCVPLHFIAUFI-UHFFFAOYSA-N 407.423 3.311 0 40 HGAB COCc1nn2c(ncc3c(=O)n(CCN(C)C)ccc32)c1-c1ccc(Cl)cc1 40397758 IHJQHKDBJWAQAE-UHFFFAOYSA-N 411.893 3.073 0 40 HGAB CCc1cccc(C)c1NC(=O)Cn1nc(-c2ccccc2)cc(NC(C)=O)c1=O 46079152 LWWGFHPSLYWXGO-UHFFFAOYSA-N 404.470 3.378 0 40 HGAB C[C@@H]1CCCCN1c1ccc(N2CCN(C(=O)c3c[nH]c4ccccc34)CC2)nn1 48985567 HVNKSNWGCAZBPU-QGZVFWFLSA-N 404.518 3.299 0 40 HGAB Cc1cc2nn(CC(=O)Nc3cc(F)cc(F)c3)c(=O)n2c(Nc2ccccc2C)n1 49410633 QWPGOZUGKJDKTO-UHFFFAOYSA-N 424.411 3.168 0 40 HGAB C[C@@H](NC(=O)Nc1cccc2ccccc12)c1ccc(-n2cc(C(N)=O)nn2)cc1 51558621 NDYPQTRUNHUTOG-CQSZACIVSA-N 400.442 3.402 0 40 HGAB Cc1ccccc1-c1nnn(CC(=O)NCc2cccc(COCc3ccco3)c2)n1 53115206 JTIQLOVQAPOKDO-UHFFFAOYSA-N 417.469 3.275 0 40 HGAB CCCN1CCCC[C@@H]1C(=O)Nc1ccc(OCC)c(S(=O)(=O)N2CCCC2)c1 58062862 LJRWWZRLFBJOTH-GOSISDBHSA-N 423.579 3.073 0 40 HGAB O=C(Nc1ccc(NC(=O)N(Cc2cccnc2)C[C@H]2CCCO2)cc1)[C@H]1CCCO1 58174767 KHUHFWSCHHPAIH-NHCUHLMSSA-N 424.501 3.412 0 40 HGAB O=C(NC1CC1)[C@H]1CCCN(C(=O)[C@@H]2CC(c3ccc(Cl)cc3Cl)=NO2)C1 64996168 VRBAYTWDBNRWEL-GTNSWQLSSA-N 410.301 3.004 0 40 HGAB C[C@H]1CCC=C2C[C@H]3OC(=O)[C@@H](CN4CCN(c5ccccc5)CC4)[C@H]3[C@H](O)[C@@]21C 70680890 MAJIMOBMGHQQSS-GJLHXFCQSA-N 410.558 3.094 0 40 HGAB CCS[C@@H]1CC[C@H](N(C)CC(=O)NCc2ccccc2CN2CCCC2=O)C1 72304991 HHPIENICULYOPB-VQTJNVASSA-N 403.592 3.031 0 40 HGAB Nc1ncc(-c2ccc(C(F)(F)F)cc2)c([C@H]2CCCN(C(=O)c3cc[nH]n3)C2)n1 72346149 JLBWJSBPCHRCHL-ZDUSSCGKSA-N 416.407 3.488 0 40 HGAB CCn1ccnc1[C@@H](NC[C@H]1CCOC1)c1ccc(I)cc1 95452953 MMYRFVCGRLJOSE-CJNGLKHVSA-N 411.287 3.223 0 40 HGAB CCN(CC)CCCC1CCN(Cc2nc3cc(C(=O)OC)ccc3c(=O)[nH]2)CC1 96007909 HMNWTAQSWNIGBF-UHFFFAOYSA-N 414.550 3.044 0 40 HGAB Cn1nccc1[C@H]1CC(=O)Oc2cc(O)c3c(=O)c(-c4ccc(O)cc4)coc3c21 96114395 PTUYUARFSYRBGV-CYBMUJFWSA-N 404.378 3.046 0 40 HGAB biogenic COc1ccc(CC(=O)N2Cc3nc4cc(-c5ccc(F)cc5)nn4c(O)c3C2)cc1 100215584 NNAVLFIINZCXTD-UHFFFAOYSA-N 418.428 3.335 0 40 HGAB Cc1c(NC(=O)[C@@H](C)OC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)c(=O)n(-c2ccccc2)n1C 102182336 DSGCANXLKAXDAP-OWSLCNJRSA-N 411.502 3.181 0 40 HGAB CN(CC(=O)NCCCc1ccccc1Cl)S(=O)(=O)c1ccc(Cl)cc1 219694800 GSGNKGKXTOYHQF-UHFFFAOYSA-N 415.342 3.363 0 40 HGAB CCOC(=O)c1ccc(NC(=O)[C@@H](C)N(c2ccccc2F)S(C)(=O)=O)c(C)c1 220315844 IKQGKQJEGARWTO-CQSZACIVSA-N 422.478 3.104 0 40 HGAB Cc1ccccc1OC[C@H](C)NC(=O)c1ccc(C)c(N2CCCCS2(=O)=O)c1 222576364 JTHAPSGCNKODGK-SFHVURJKSA-N 416.543 3.431 0 40 HGAB COc1ccc(C(=O)N(C)Cc2ccccc2F)cc1S(=O)(=O)N1CCCCC1 222915123 AGMSDSCPIMEBEY-UHFFFAOYSA-N 420.506 3.281 0 40 HGAB COCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(CCOC)c1C 223050282 SWOZOFZSXNPHOX-WOJBJXKFSA-N 402.564 3.155 0 40 HGAB COc1ccc(C)cc1N(CC(=O)Nc1ccc(N2CCCC2)cc1)S(C)(=O)=O 224905099 USIMCWZWQAPKFG-UHFFFAOYSA-N 417.531 3.009 0 40 HGAB CCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)COc1ccccc1F 225037888 DBLOTYYFFRRCQC-INIZCTEOSA-N 402.466 3.157 0 40 HGAB COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C)cc1N1C(=O)CCC1=O 225421731 TUFOSDTYOMETTB-UHFFFAOYSA-N 408.863 3.111 0 40 HGAB CCn1c(=O)sc2cc(S(=O)(=O)NCc3ccc(OC(C)C)cc3)ccc21 225693233 HTWFDROEELLBEB-UHFFFAOYSA-N 406.529 3.349 0 40 HGAB CCOCCCNC(=O)c1ccc(CN(c2c(C)cccc2C)S(C)(=O)=O)cc1 225754850 IHJGSBCGWDJTBL-UHFFFAOYSA-N 418.559 3.426 0 40 HGAB CCSc1nnc(NC(=O)[C@@H](CC)N(c2cccc(C)c2)S(C)(=O)=O)s1 225826521 KJUXFCHDFKYIFQ-CYBMUJFWSA-N 414.578 3.142 0 40 HGAB CCc1ccc(N(CN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@@H]45)[C@H]3C2=O)C(=O)C(F)(F)F)cc1 226401593 RFOFHNPTHLVBIS-OBRKIGFESA-N 418.415 3.155 0 40 HGAB Cc1cc(NC(=O)[C@@H](C)Oc2nn(-c3ccccc3)cc2Br)n(C)n1 227159752 IUJHXBNRNCFNKX-GFCCVEGCSA-N 404.268 3.083 0 40 HGAB O=C(NS(=O)(=O)c1ccc(Cl)cc1)c1cc(Cl)c2c(c1)OCCCO2 257249090 JGUJHSWTSYHMNL-UHFFFAOYSA-N 402.255 3.273 0 40 HGAB COc1ccc(-c2cnc3c(N4CCN(Cc5ccccn5)CC4)nccn23)cc1 306131091 JWMULLFOOPALLF-UHFFFAOYSA-N 400.486 3.122 0 40 HGAB CCn1cc(CN2CCN(c3nccn4c(-c5cccc(F)c5)cnc34)CC2)cn1 306144665 ZLLGYVMLOMFFJZ-UHFFFAOYSA-N 405.481 3.074 0 40 HGAB CC[C@@H](C)NS(=O)(=O)c1ccc(OCC(=O)N[C@@H](C)CCc2ccccc2)cc1 408584831 VQXPIIBWPUMDLJ-MSOLQXFVSA-N 418.559 3.280 0 40 HGAB CCOC(=O)Nc1cc(S(=O)(=O)Nc2ccc(NC(C)=O)cc2)ccc1OCC 408588075 XFNCIXABJZLNHO-UHFFFAOYSA-N 421.475 3.413 0 40 HGAB Cc1ccc([C@@H]2[C@H](NC(=O)c3cccc(C)c3)C(=O)N/[N+]2=C\c2ccc(F)cc2)cc1 409054420 JQDSPQFWAFFPEG-LMOLPZMTSA-O 416.476 3.459 0 40 HGAB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NC1CC1)c1ccc(C)c(C)c1 409392200 QANOXGMPUAPOAR-UHFFFAOYSA-N 402.516 3.094 0 40 HGAB CC(C)N1CCN(c2cccc(NC(=O)[C@H]3CCCN(Cc4cccnc4)C3)c2)CC1 535061952 VLWBZIZFVCACHM-QFIPXVFZSA-N 421.589 3.463 0 40 HGAB COCc1cn([C@H]2CCN(C(=O)c3ccc4noc(-c5ccccc5)c4c3)C2)nn1 585149703 RAQQLFSXDKSEOD-SFHVURJKSA-N 403.442 3.320 0 40 HGAB Cc1nc(Nc2ncc(C)s2)cc([C@@H]2CN(C(=O)Cc3ccccc3)CCO2)n1 585262508 CBKJSXGNGYDQED-SFHVURJKSA-N 409.515 3.436 0 40 HGAB Cc1ccc(N2CCC(C(=O)N[C@H]3CCCN(C(=O)c4ccccc4)C3)CC2)nc1 1116117026 ZIHGXFJYCOJJOJ-NRFANRHFSA-N 406.530 3.027 0 40 HGAB CCn1cc([C@@H](O)CN(Cc2ccccc2)C(=O)c2cc(C(F)(F)F)n[nH]2)cn1 1616293612 ZBKNJSPEVRXLCY-INIZCTEOSA-N 407.396 3.021 0 40 HGAB CN(C)C1CCN(c2ccc(NC(=O)c3cccc(-n4ccnc4O)c3)cc2F)CC1 1628085587 SCZAFWYDKYRRHT-UHFFFAOYSA-N 423.492 3.500 0 40 HGAB COc1ccccc1-c1nnc(C2CCN(c3ncnc4ncn(C)c34)CC2)s1 1888930469 LYDFHIQHRWVQTE-UHFFFAOYSA-N 407.503 3.274 0 40 HGAB O=C1CC2(CCN(Cc3ccc(N4CCCC4=O)cc3)CC2)Nc2ccccc2CN1 2037981117 VUZQEMSRAHNOEL-UHFFFAOYSA-N 418.541 3.280 0 40 HGAB COc1cc(CN2CCO[C@@]3(CCCCN(c4ccccc4)C3=O)C2)cc(OC)c1 2037983800 GOOOEOZSJDEPAY-DEOSSOPVSA-N 410.514 3.492 0 40 HGAB CC(=O)Oc1ccc(Br)cc1/C=c1/sc2nc3ccccc3n2c1=O 651474 DLTRBQZAJJVMSA-CXUHLZMHSA-N 415.268 3.145 0 40 HGAB COc1ccc(C(=O)NN2C(=O)[C@@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)cc1 666233 SZTYXYJBGHLXAC-BWWMBTDCSA-N 424.456 3.232 0 40 HGAB CCOc1ccc(-n2nnnc2SCC(=O)c2ccc(OC)cc2OC)cc1 892173 XTLNEZXWIRVCNR-UHFFFAOYSA-N 400.460 3.053 0 40 HGAB O=C(CSc1nnc(-c2ccncc2)n1-c1ccc(F)cc1)NCc1ccco1 904256 KVEALPLDADVIDK-UHFFFAOYSA-N 409.446 3.470 0 40 HGAB CC1=C(C(=O)Nc2cccnc2)[C@H](c2ccc(Cl)c(Cl)c2)n2nnnc2N1 956293 NHUXBJBBLTVLGE-HNNXBMFYSA-N 402.245 3.303 0 40 HGAB CCn1c(Cc2cccs2)nnc1SCC(=O)Nc1ccc2c(c1)OCO2 2340751 WDDMPEVYILGQEF-UHFFFAOYSA-N 402.501 3.410 0 40 HGAB O=C(Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(C(=O)c2cccnc2)C1)C1CCCCC1 4277688 JPVNSEXEKNWHAC-QFBILLFUSA-N 420.513 3.022 0 40 HGAB biogenic,in-vitro Cc1c(C)c(C)c(C(=O)OCC(=O)N(CC(C)C)[C@H]2CCS(=O)(=O)C2)c(C)c1C 4580820 UVGNBYNCFUSPDL-IBGZPJMESA-N 423.575 3.057 0 40 HGAB CCc1nc2sc([C@@H](c3cccs3)N3CCC4(CC3)OCCO4)c(O)n2n1 4584891 UGQLNMFGGXGDQB-CQSZACIVSA-N 406.533 3.049 0 40 HGAB O=C(COC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)Nc1cc(Cl)ccc1Cl 5240823 FPNYXHADKASCCG-NSHDSACASA-N 411.241 3.117 0 40 HGAB O=C(CN1C(=O)N[C@]2(CCCc3sccc32)C1=O)N[C@@H]1CCCc2ccccc21 5679267 YJQQRXSWPKBFGF-VGSWGCGISA-N 409.511 3.025 0 40 HGAB CCCCN(C(=S)Nc1ccc(C)c(C)c1)c1c(N)n(CCC)c(=O)[nH]c1=O 5688915 PYLLPNTWFUUYRJ-UHFFFAOYSA-N 403.552 3.149 0 40 HGAB Cc1cc(SCC(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)nc2ccccc12 6790748 BRRQHTVPIZYFKI-AWEZNQCLSA-N 415.540 3.160 0 40 HGAB O=C(COc1ccc(Cl)c(Cl)c1)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 7016378 SWZIKHOVTKPQGD-CYBMUJFWSA-N 406.331 3.331 0 40 HGAB CCS(=O)(=O)c1ccc(-c2ccc(NS(=O)(=O)c3cccc(C)c3)cc2)nn1 7428233 BENXIMXCDRNPCA-UHFFFAOYSA-N 417.512 3.046 0 40 HGAB CC(C)(C)C(=O)/C=c1\s/c(=C\c2cccs2)c(=O)n1Cc1ccccc1F 7612117 WDJFKNGFKMVTNH-KODDWTJMSA-N 401.528 3.383 0 40 HGAB COc1ccc(Cl)cc1NC(=O)CN(C)[C@H](C)C(=O)N1CCc2ccccc2C1 7683032 WLTWWUODWDARLB-OAHLLOKOSA-N 415.921 3.192 0 40 HGAB COc1ccc(-c2nnc(SCc3cc(Cl)c4c(c3)OCCO4)n2N)cc1 8271010 PDEHTAZTJKJBMN-UHFFFAOYSA-N 404.879 3.384 0 40 HGAB CC(=O)Nc1ccc(NC(=O)CCC(=O)OCC(=O)Nc2cccc(C)c2C)cc1 8415177 KNVQFXNNPJXVIF-UHFFFAOYSA-N 411.458 3.162 0 40 HGAB CCn1nc(C(=O)O[C@@H](C)C(=O)Nc2ccc(F)c(F)c2F)c2ccccc2c1=O 8806714 QIZLEVJOTXHCGW-JTQLQIEISA-N 419.359 3.018 0 40 HGAB CN1CCN(c2oc(-c3ccccc3F)nc2S(=O)(=O)c2ccc(F)cc2)CC1 8844651 PNSIDNUUVFTODC-UHFFFAOYSA-N 419.453 3.204 0 40 HGAB O=C1CN(C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCCCCC2)c2ccccc2N1 9134224 HMQSMVGZAYNXJS-FQEVSTJZSA-N 420.513 3.169 0 40 HGAB O=S1(=O)CC[C@@H](NCc2cc(Br)ccc2OCc2ccccc2)C1 9389493 KKCYVUTUHCAFFA-QGZVFWFLSA-N 410.333 3.305 0 40 HGAB C[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1)c1cccnc1 9469710 OGMKMJFEOZCAJQ-KRWDZBQOSA-N 421.522 3.320 0 40 HGAB COc1ccc([C@@H]2c3c(-c4ccc(Cl)cc4)nnc(O)c3Nc3nnnn32)cc1 10232681 UTYMYETXRPGUCO-QGZVFWFLSA-N 407.821 3.192 0 40 HGAB Cc1ccc2nc(COC(=O)c3ccc(CNC(=O)OC(C)(C)C)cc3)cc(=O)n2c1 10690836 TYIXBKYNDBTSJE-UHFFFAOYSA-N 423.469 3.385 0 40 HGAB COc1ccc(OCCOC(=O)c2ccccc2S(=O)(=O)N2CCCCC2)cc1 11044659 PAVJQYLLEUVUGP-UHFFFAOYSA-N 419.499 3.106 0 40 HGAB Cc1cc(C(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)cc(S(N)(=O)=O)c1C 11074643 WJDHNBLGBPLGPF-UHFFFAOYSA-N 409.511 3.362 0 40 HGAB C[C@@H](SCc1ccc(Br)cc1)C(=O)N[C@@H](C(N)=O)c1ccccc1 12051889 ZDLLHRSYJALONX-MLGOLLRUSA-N 407.333 3.414 0 40 HGAB COc1cccc(CC(=O)N2CCC[C@@H](c3nc(O)cc(-c4ccccn4)n3)C2)c1 12256732 QRFDFYTVQDIKRG-QGZVFWFLSA-N 404.470 3.202 0 40 HGAB Cc1c(CN2CCC(C(=O)N3CCCCCC3)CC2)c2ccccc2n1CC(N)=O 12364430 LWTFBSFAFHDGCY-UHFFFAOYSA-N 410.562 3.050 0 40 HGAB COC(=O)[C@H](C)SC1=Nc2c(cnn2-c2ccc(Cl)cc2)C2=NCCCN12 12389754 RFCJWLQBOJNHHZ-NSHDSACASA-N 403.895 3.274 0 40 HGAB Cc1ccnc(NC(=O)CCNS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1 12610031 YFRACMDZYCYEJV-UHFFFAOYSA-N 421.828 3.369 0 40 HGAB C[C@H]1CCN(C(=O)CN2CCN(C(=O)c3ccccc3)CC2)c2ccccc2S1 13074072 ZLJWKPPJUUISLO-SFHVURJKSA-N 409.555 3.362 0 40 HGAB O=C1NC(=O)[C@@]2(Cc3c(Cl)cccc3N3CCC[C@H]32)C(=O)N1CCc1ccccc1 13576841 PFQSRJCZJHOWCJ-CVDCTZTESA-N 423.900 3.172 0 40 HGAB CC(C)CCC[C@H](C)NC(=O)[C@@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1 14245416 VTZSELXEEVBOCE-DLBZAZTESA-N 405.564 3.179 0 40 HGAB CCC(=O)N1CCN(c2ccccc2NC(=S)NC(=O)c2ccc(C)cc2)CC1 17088590 RFQNWZQFERFEQC-UHFFFAOYSA-N 410.543 3.180 0 40 HGAB O=C(NC12CC3CC(CC(C3)C1)C2)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 17305468 AEKQLSVGNYJTHH-DQYWGJDHSA-N 420.550 3.311 0 40 HGAB Cc1ccc2nc(C)cc(OCC(=O)N(C[C@@H]3CCCO3)C3CCN(C)CC3)c2c1 19220594 SRJDQXKVHSKGNV-FQEVSTJZSA-N 411.546 3.332 0 40 HGAB Cc1cccc(N2C[C@@H](c3cc(=O)[nH]c(N[C@H](C)c4ccccn4)n3)CC2=O)c1C 19235564 VGYPDBKCIBRWRJ-SJORKVTESA-N 403.486 3.475 0 40 HGAB COc1cccc(-c2cc(-c3cccnc3)nn2CCNC(=O)C[C@H]2CCCO2)c1 19566599 KXEPADFCRRNKOR-HXUWFJFHSA-N 406.486 3.306 0 40 HGAB Cc1cc(C)n([C@@H](C)CC(=O)N2CCN([C@H](c3ccccc3)c3nccn3C)CC2)n1 19572921 FTTYGMQIQRFWHG-NZQKXSOJSA-N 420.561 3.118 0 40 HGAB Cc1ncsc1C(=O)N(C)Cc1nc(C)c2c(n1)N(CCC(C)C)C(=O)CC2 19698079 ZHSJALSRHVMGCE-UHFFFAOYSA-N 401.536 3.147 0 40 HGAB COc1ccc([C@@H]2CCCN2C(=O)c2cnc3nc(C(F)(F)F)nn3c2C)cc1 19714581 JRGBNOYDPJHFLO-HNNXBMFYSA-N 405.380 3.437 0 40 HGAB Cc1cnc(C(=O)N2CCC[C@@]3(CC=CCN(Cc4ccc(F)cc4)C3=O)C2)cn1 19742607 QLCMJJVDRXVHLZ-QHCPKHFHSA-N 408.477 3.135 0 40 HGAB Cc1cc(C)nc(N2CCO[C@@H](c3cc(C(=O)NC(C)C)c4ccccc4n3)C2)n1 19759367 FXWAXLZSVILKNV-OAQYLSRUSA-N 405.502 3.358 0 40 HGAB CCN1CCC[C@@H]1CN/C=C1/C(=O)N(c2cccc(OC)c2)C(=O)c2ccccc21 20503692 WIQCTYVOLAHKEM-IPEVAPCJSA-N 405.498 3.297 0 40 HGAB NS(=O)(=O)c1ccc(CCC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)cc1 21047365 BNHUTOFQAIRFAH-UHFFFAOYSA-N 416.499 3.337 0 40 HGAB O=C(COC(=O)[C@@H]1CCCN1C(=O)c1cccs1)Nc1cccc2ncccc12 21334609 DAIUGTGVPXYHBQ-KRWDZBQOSA-N 409.467 3.083 0 40 HGAB COc1ccc(OC)c(C(=O)Nc2ccc3nc(N4CCN(C)CC4)sc3c2)c1 23135880 UUNCDTFPCSCCAV-UHFFFAOYSA-N 412.515 3.318 0 40 HGAB COc1ccc(CN2CCN(C(=O)CCC(=O)c3ccc(C)s3)CC2)cc1OC 23740866 XTDINIDHIBYZPC-UHFFFAOYSA-N 416.543 3.381 0 40 HGAB COc1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccccc3C)CC2)cc1 24611392 BFMSHJUEBNKKAH-UHFFFAOYSA-N 402.516 3.184 0 40 HGAB COc1ccc(CN2CCN(c3nn4cc(C(C)(C)C)nc4s3)CC2)cc1OC 24993099 ASZGENIDSNEWKK-UHFFFAOYSA-N 415.563 3.428 0 40 HGAB Cc1ccc(C(=O)N2CCC[C@H](C(=O)NCCn3c(C)nc4ccccc43)C2)cc1 25067315 MICQLKNDRRWUHE-FQEVSTJZSA-N 404.514 3.322 0 40 HGAB COc1ccc(N2C[C@@H](C(=O)Nc3ccccc3C(=O)NCC(C)C)CC2=O)cc1 28491792 LNFVMWMLGBJONY-INIZCTEOSA-N 409.486 3.073 0 40 HGAB Cc1c(C)c(C)c(S(=O)(=O)N(C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)c(C)c1C 32551971 SOHLYSIJQWSPOH-KRWDZBQOSA-N 424.588 3.258 0 40 HGAB c1cc(-c2nc(CSc3nnc(N4CCCC4)n3C[C@@H]3CCCO3)no2)cs1 32754576 IXONAMZLQCBLCE-AWEZNQCLSA-N 418.548 3.461 0 40 HGAB COc1cc(CS(=O)(=O)[C@@H](C)C(=O)N(C)C2CCCCC2)ccc1OC(F)F 32929813 JQISUYRFFNXVHQ-ZDUSSCGKSA-N 419.490 3.391 0 40 HGAB COc1ccccc1-n1c(SCC(=O)NCc2ccco2)nnc1-c1ccncc1 35290395 ZBOPERUBPHMBBP-UHFFFAOYSA-N 421.482 3.339 0 40 HGAB O=C(CN1CCN(CCOc2c(Cl)cccc2Cl)CC1)N1CCCCC1 40013681 MBAWOVBBLZEFDF-UHFFFAOYSA-N 400.350 3.002 0 40 HGAB CN1C(=O)c2ccc(C(=O)NCc3cccnc3Oc3cccc(F)c3)cc2C1=O 40094333 RMMKQZQCBVTIDP-UHFFFAOYSA-N 405.385 3.169 0 40 HGAB C[C@@H]1Oc2ccccc2N(CC(=O)N(C)[C@@H](c2ccccc2)c2ccccn2)C1=O 40134809 KWKMBBMOSIVAFB-SBUREZEXSA-N 401.466 3.444 0 40 HGAB COc1ccc(-n2c3c(c(=O)[nH]c2=O)CN([C@H](C)c2ccccc2)CN3)cc1Cl 40284186 MXNCSMWNRYYSFE-CYBMUJFWSA-N 412.877 3.134 0 40 HGAB C#CCOc1ccc(CCNC(=O)[C@@H](OCC#C)c2ccc(Cl)cc2)c(OC)c1 43199381 IQHQPCJSVRKTPY-QFIPXVFZSA-N 411.885 3.410 0 40 HGAB CCOC(=O)c1ccc(NC(=O)NC[C@@H](C)N2CCN(c3ccccc3)CC2)cc1 48013702 SWMHBNVSQHJFPO-GOSISDBHSA-N 410.518 3.196 0 40 HGAB O=C1COc2cc(NC(=O)N(Cc3cccnc3)C[C@H]3CCCO3)c(Cl)cc2N1 48076282 KQHCQFMGWRQRFJ-CQSZACIVSA-N 416.865 3.279 0 40 HGAB O=C(NCCc1cccs1)[C@@H]1Cc2ccccc2CN1Cc1nc(C2CC2)no1 48289815 DQJBJDJTKVYGEJ-IBGZPJMESA-N 408.527 3.294 0 40 HGAB COc1ccc(NC(=O)CN2CCN(C(=O)c3ccc(C)c(C)c3)CC2)cc1Cl 57486158 WLQKYPBPFRTOQL-UHFFFAOYSA-N 415.921 3.362 0 40 HGAB CCCN(CCC)C(=O)Cn1c(=O)n(CCc2cccs2)c(=O)c2sccc21 57493801 SDVQEKAQMBPWJG-UHFFFAOYSA-N 419.572 3.178 0 40 HGAB CCC(C)(C)n1nnnc1[C@H](c1cc2cc(C)ccc2[nH]c1=O)N1CCSCC1 57589438 FGBOSZRPDDYFDF-SFHVURJKSA-N 412.563 3.106 0 40 HGAB CC(C)N1CCN(c2ccc(C(=O)N3CCN(C)C[C@H]3c3ccccc3)cc2)CC1 58010265 IOMHXGCVADPHMV-DEOSSOPVSA-N 406.574 3.346 0 40 HGAB CCN(c1cccnc1)S(=O)(=O)c1cc(OC)c(OC)cc1Br 60377619 ATPKSUNVTOLKGI-UHFFFAOYSA-N 401.282 3.077 0 40 HGAB Cc1ccc(-n2nnc(CC(=O)NC(C)(C)c3ccc4c(c3)OCCO4)c2C)cc1 65521304 PMPPMTYVVCYKCP-UHFFFAOYSA-N 406.486 3.249 0 40 HGAB Cc1ccccc1-n1c(=O)c2sccc2n(CC(=O)Nc2cccc(F)c2)c1=O 67217842 CVOHJDFDBVYXJG-UHFFFAOYSA-N 409.442 3.300 0 40 HGAB CCc1ccccc1NC(=O)CN1C(=O)N[C@@H](c2cc(C)ccc2C)C2=C1COC2=O 67288648 RPJKGJVVESJPLD-QFIPXVFZSA-N 419.481 3.382 0 40 HGAB CCN1CC[C@@]2(CCC1=O)C[C@@H](NC(=O)c1ccc3c(c1)OCO3)c1ccccc1O2 72327825 XYOIRJWLDNAAJH-KOSHJBKYSA-N 422.481 3.440 0 40 HGAB CC(C)c1nnc(NC(=O)c2ccc(Cn3nnc4ccccc4c3=O)cc2)s1 72403850 POLFRYOPYUMNON-UHFFFAOYSA-N 406.471 3.067 0 40 HGAB COc1ccc2c(ccn2CCNC(=O)[C@H]2CCCN(c3nc(C)cc(C)n3)C2)c1 79495749 RZHRMOALHKHXLH-IBGZPJMESA-N 407.518 3.090 0 40 HGAB COc1cc(F)c(NS(=O)(=O)c2cc(Cl)c(F)c(C(=O)O)c2)cc1OC 83919954 HLECTISUGBANME-UHFFFAOYSA-N 407.778 3.134 0 40 HGAB COc1cc([C@H]2C=C(c3cccc(NC(C)=O)c3)Nc3ncnn32)cc(OC)c1OC 100755685 VMSJHPMZOGNWCG-GOSISDBHSA-N 421.457 3.318 0 40 HGAB Cc1nn(CC(=O)NC2C[C@@H]3CC[C@@H](C2)N3C)c2nc(C3CC3)cc(C(F)(F)F)c12 101561402 IIEKLOLXLQLENK-GJZGRUSLSA-N 421.467 3.377 0 40 HGAB CC[C@@H](C(=O)N[C@H](C)COc1ccc(C)cc1)N(c1ccccc1)S(C)(=O)=O 219085965 JXPGPEOXCLGPRQ-XLIONFOSSA-N 404.532 3.123 0 40 HGAB CC[C@@H](C(=O)Nc1cccc(C(C)=O)c1)N(c1cccc(OC)c1)S(C)(=O)=O 220621595 VTHFNIUFRCCVLM-IBGZPJMESA-N 404.488 3.081 0 40 HGAB C[C@H](C(=O)NCc1ccc2ccccc2c1)N(c1ccc(F)cc1)S(C)(=O)=O 222773961 UYMXZTHUJZNIDC-OAHLLOKOSA-N 400.475 3.450 0 40 HGAB Cc1ccccc1N(C)S(=O)(=O)c1cccc(C(=O)NCCCOC(C)C)c1 224120575 ZJASZPKYJNRWAN-UHFFFAOYSA-N 404.532 3.365 0 40 HGAB Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)NC[C@H](C)c2ccccc2)s1 225138349 ACMBRVZQQWZDQL-AWEZNQCLSA-N 416.528 3.181 0 40 HGAB COc1ccc(N(CCCC(=O)NC23CC4CC(CC(C4)C2)C3)S(C)(=O)=O)cc1 225313525 YUXCZOCGOJHFCH-UHFFFAOYSA-N 420.575 3.326 0 40 HGAB Cc1ccc(CC(=O)N2CCC[C@H]2CN2Cc3ccccc3OC[C@H]2CN(C)C)cc1 248111228 KENWIABETVAWCT-BJKOFHAPSA-N 421.585 3.353 0 40 HGAB CC1(C)CN(C(=O)c2ccccc2F)C[C@@H]2CN(C(=O)C3CCCCC3)CCN21 253405848 TVUCZDXOTDCJQV-SFHVURJKSA-N 401.526 3.153 0 40 HGAB biogenic,in-vitro CCc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2ccc(N(C)S(C)(=O)=O)cc2)cc1 260843480 SPLQXLKYBVVKHL-CVEARBPZSA-N 404.532 3.290 0 40 HGAB O=C1c2cccn2[C@@H]2CN(Cc3ccc4c(c3)OCO4)C[C@H]2N1Cc1ccc(F)cc1 306123989 BCMFGUKFQMKVQU-NHCUHLMSSA-N 419.456 3.437 0 40 HGAB COc1ccc(NS(=O)(=O)c2ccc(O[C@H](C)C(=O)NCC(C)C)cc2)cc1 408601086 FDQCDGGAZMVSMQ-OAHLLOKOSA-N 406.504 3.036 0 40 HGAB CCC(=O)Oc1ccccc1/C=C1\N=C(c2cc(OC)c(OC)c(OC)c2)OC1=O 409193335 JANKLIZHPBFECR-GDNBJRDFSA-N 411.410 3.372 0 40 HGAB Cc1ccc(N(CC(=O)NCCCOC(C)C)S(=O)(=O)c2ccc(F)cc2)cc1 409256502 OXGAZSPLDCLSHV-UHFFFAOYSA-N 422.522 3.261 0 40 HGAB O=C(N[C@@H](Cn1ccccc1=O)c1ccccc1)N1CCO[C@H](Cc2ccccc2)C1 508784674 PVZMHNIGQGJTSD-PKTZIBPZSA-N 417.509 3.243 0 40 HGAB CCc1noc(-c2ccc(CCNC(=O)c3ccc(C(F)(F)F)nc3O)cc2)n1 589970418 MNLJJAGATFXFEO-UHFFFAOYSA-N 406.364 3.391 0 40 HGAB CCCCn1cc(S(=O)(=O)N[C@H](C)c2nc(Cc3ccccc3)no2)c(C)n1 1660724742 SBELEFLQANZLLN-OAHLLOKOSA-N 403.508 3.005 0 40 HGAB Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2)n1 836001 GTNFHFBENJWBTP-UHFFFAOYSA-N 400.435 3.286 0 40 HGAB Cn1c(CNc2cccc(Cl)c2)nnc1SCC(=O)NCc1ccccc1 917314 FVVCYVAEOIRRIL-UHFFFAOYSA-N 401.923 3.489 0 40 HGAB Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3c(F)cccc3F)cc2)n1 945089 CVXNIVCNGQUMOF-UHFFFAOYSA-N 404.398 3.116 0 40 HGAB CN1C(=O)c2ccc(NC(=S)NC(=O)CSc3ccc(Cl)cc3)cc2C1=O 1004655 SMZZZRHAROMXHQ-UHFFFAOYSA-N 419.915 3.171 0 40 HGAB O=C(CN1C(=O)S/C(=C/c2cc(Cl)c(O)c(Cl)c2)C1=O)N1CCCC1 1101642 OKRNSEWULQHHQZ-KPKJPENVSA-N 401.271 3.358 0 40 HGAB COCCNC(=O)c1c(N)n(Cc2ccccc2Cl)c2nc3ccccc3nc12 2196431 WPQTUYYFMPKWDP-UHFFFAOYSA-N 409.877 3.245 0 40 HGAB Cc1nn(-c2ccccc2)c2sc(C(=O)OCn3nnc4ccccc4c3=O)cc12 2479396 VFZOFTPXFMRPBX-UHFFFAOYSA-N 417.450 3.315 0 40 HGAB CCOC(=O)[C@@H](C)Oc1cccc2c(=O)n(CC(=O)Nc3ccc(F)cc3)ccc12 2712293 YUAWFSHFPISJMM-CQSZACIVSA-N 412.417 3.110 0 40 HGAB CCN(CC)C(=O)Cn1cc(C(=O)C(=O)NCc2ccc(F)cc2)c2ccccc21 3007591 HXWSSNQJEBXHGT-UHFFFAOYSA-N 409.461 3.148 0 40 HGAB C[C@H](OC(=O)CNC(=O)c1cccc(F)c1)C(=O)Nc1cc(Cl)cc(Cl)c1 3317450 CZTZFBKOBGEOFA-JTQLQIEISA-N 413.232 3.433 0 40 HGAB CCOc1ccccc1N1C[C@H](C(=O)Nc2ccc3c(C)cc(=O)oc3c2)CC1=O 3343684 GLTIVPAJJQRUMS-OAHLLOKOSA-N 406.438 3.492 0 40 HGAB O=C(NC[C@@H](c1ccco1)N1CCc2ccccc21)C(=O)Nc1cc(F)ccc1F 4305365 QTHDTAWMPUCDIH-IBGZPJMESA-N 411.408 3.417 0 40 HGAB CCc1cccc(C)c1NC(=O)Cn1ccn(Cc2ccc(Cl)cc2)c(=O)c1=O 4483203 HFPRKSVOJMLMNZ-UHFFFAOYSA-N 411.889 3.221 0 40 HGAB CC(C)NC(=O)CSc1nc2ccccc2n1CC(=O)N1[C@@H](C)CCC[C@H]1C 4859217 XJXNRZOYTJHWBF-IYBDPMFKSA-N 402.564 3.443 0 40 HGAB COc1ccc(/C=C2/SC(=O)N(CC(=O)OC(C)(C)C)C2=O)c(OC)c1OC 5007604 XHEMMWRGHNAGFT-UKTHLTGXSA-N 409.460 3.090 0 40 HGAB Cc1ccc(S(=O)(=O)Nc2cccc(-c3ccc(N4CCOCC4)nn3)c2)s1 5144773 DFNPENURDFTAFB-UHFFFAOYSA-N 416.528 3.151 0 40 HGAB CC(=O)[C@@H](CN1CCOCC1)[C@H](c1ccccc1)c1c(O)c2ccccc2oc1=O 5832073 WYSBRMWWVGTIDC-CTNGQTDRSA-N 407.466 3.168 0 40 HGAB Cc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)c(C)n1-c1ccc(C#N)cc1 6235859 IEKLBQNYFAOMMW-RGVLZGJSSA-N 414.421 3.221 0 40 HGAB C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3ccc4c(c3)CCC4)cc2)C[C@H](C)O1 6236233 SPKXZZJBMSNUBH-HOTGVXAUSA-N 414.527 3.226 0 40 HGAB CCCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(Br)s1 6361943 BPGGMWCIPYZWAU-UHFFFAOYSA-N 403.323 3.451 0 40 HGAB CCn1cc(C(=O)OCC(=O)Nc2cccc(SC)c2)c(=O)c2ccc(C)nc21 6817332 SJOUUWVZDWXALE-UHFFFAOYSA-N 411.483 3.242 0 40 HGAB COCc1c(C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)oc2ccccc12 7265072 ZYZZHHJWAGZBHF-UHFFFAOYSA-N 402.472 3.390 0 40 HGAB CC(=O)N[C@H](C(=O)NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)C(C)C 7491872 UYGFDABDTQISEB-NRFANRHFSA-N 408.477 3.455 0 40 HGAB C[C@@H](Sc1nc(C2CC2)n(-c2ccccc2)n1)C(=O)Nc1sccc1C(N)=O 7538351 ZYQYPPYPVPAMAT-LLVKDONJSA-N 413.528 3.424 0 40 HGAB CS(=O)(=O)N(CC(=O)Nc1cccc(C(F)(F)F)c1)c1ccc(F)c(F)c1 8041809 VVZUVWZJGKDWCD-UHFFFAOYSA-N 408.348 3.388 0 40 HGAB O=C(CSc1nnc([C@@H]2COc3ccccc3O2)o1)N1CCC(c2ccccc2)=N1 9664548 XENKODHXQZFYEE-SFHVURJKSA-N 422.466 3.311 0 40 HGAB COc1ccc(Cl)cc1N([C@H](C)C(=O)N1c2ccccc2C[C@@H]1C)S(C)(=O)=O 10449899 WMUDGFLWUYPYIS-UONOGXRCSA-N 422.934 3.481 0 40 HGAB Cc1ccc(N2CCN(S(=O)(=O)c3ccc4c(c3)CCC(=O)O4)CC2)cc1Cl 11613867 QSMYXVIQGKSZJW-UHFFFAOYSA-N 420.918 3.011 0 40 HGAB O=C(c1cc(=O)c(OCc2ccccc2)co1)N1CCN(c2ccc(F)cc2)CC1 11856501 IMNZGWPRIBHQKS-UHFFFAOYSA-N 408.429 3.320 0 40 HGAB C[C@]1(C(=O)N2CCN(CC(=O)Nc3ccccc3Cl)CC2)CC1(Cl)Cl 12759553 PFUFCEXEJDAUNK-MRXNPFEDSA-N 404.725 3.007 0 40 HGAB O=C1CCOc2ccccc2N1CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 12814999 ZKTRKRVCNVLUNN-GOSISDBHSA-N 422.481 3.327 0 40 HGAB C[C@@H](NC(=O)CN1CCCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccccc1 12971273 NVFDLYYOWPPCIA-MRXNPFEDSA-N 406.452 3.490 0 40 HGAB CCNS(=O)(=O)c1ccc(C)c(C(=O)NC[C@@H](c2ccccc2)N(CC)CC)c1 12998037 FORKMBSMTGWXBK-NRFANRHFSA-N 417.575 3.106 0 40 HGAB Cc1ccccc1CN(C)[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 13040383 AIHXSZXTMAGJLH-SFHVURJKSA-N 415.559 3.239 0 40 HGAB O=C1C[C@H]([C@@H]2CCCN(C(=O)[C@@H]3CC(c4ccccc4)=NO3)C2)Oc2ccccc21 13267061 NFDBSWGFXULTAR-ZQMYSKGWSA-N 404.466 3.452 0 40 HGAB CCN(CC)S(=O)(=O)c1cccc(C(=O)N(C)CCOc2ccc(C)cc2)c1 16966463 CURJVHQNSFRVSC-UHFFFAOYSA-N 404.532 3.177 0 40 HGAB CC(C)(CC(=O)NCc1ccc(F)cc1)CC1=Nc2ccccc2S(=O)(=O)N1 17112966 XNVKYDIWLYXRPY-UHFFFAOYSA-N 403.479 3.270 0 40 HGAB CN(C)c1ncc(-c2ccc(C(N)=O)cc2)c([C@H]2CCN(Cc3ccc(F)cc3)C2)n1 19694750 AXTSFFDXFWFSEV-IBGZPJMESA-N 419.504 3.437 0 40 HGAB Cc1nc([C@@H]2CCCN(Cc3ncc[nH]3)C2)nc2c1CCC(=O)N2Cc1ccccc1 19741650 NTZIRZDCRINFRC-LJQANCHMSA-N 416.529 3.367 0 40 HGAB COc1ccc(Cl)cc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)NC(C)(C)C 20009345 OSFPZXMEGGYZTQ-MRXNPFEDSA-N 424.950 3.153 0 40 HGAB CCOC(=O)N1CCN(Cc2cc(=O)oc3cc(-c4ccccc4)c(O)cc23)CC1 20412462 ARXJJTDXXSSQTQ-UHFFFAOYSA-N 408.454 3.440 0 40 HGAB biogenic COc1ccccc1NC(=O)CN1N=C(c2ccccc2)c2ccccc2S1(=O)=O 21942389 FRVTWPJDMBVBOP-UHFFFAOYSA-N 421.478 3.091 0 40 HGAB COc1ccc(C(=O)NCCc2ccc(S(=O)(=O)NC3CCCCC3)cc2)cc1 22227028 JCIVSQDRYWJBHK-UHFFFAOYSA-N 416.543 3.279 0 40 HGAB CN1CCN([C@H](c2ccc(F)cc2)c2sc3nc(-c4ccco4)nn3c2O)CC1 22577380 CAFJOBYJAIIIHT-MRXNPFEDSA-N 413.478 3.232 0 40 HGAB CCc1nc2sc([C@@H](c3cccc(C(F)(F)F)c3)N3CCOCC3)c(O)n2n1 22854264 XCYNIZZRLSXEAL-CQSZACIVSA-N 412.437 3.499 0 40 HGAB Cc1cccc(-c2nnc(S)n2CC(=O)NCC2(N(C)C)CCCCCC2)c1 23055257 AKCUGEAUXCKEQX-UHFFFAOYSA-N 401.580 3.313 0 40 HGAB COc1ccc(C)cc1NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2C)CC1 24611495 GRHXWRBDANWRSD-UHFFFAOYSA-N 416.543 3.493 0 40 HGAB CN(C)S(=O)(=O)c1ccc2c(c1)CCN2Cc1ccc(OC(F)(F)F)cc1 24784894 DLQWCGDOWNYRQJ-UHFFFAOYSA-N 400.422 3.398 0 40 HGAB Cc1ccc([C@]2(C)NC(=O)N(CC(=O)NCc3cccc(C(F)(F)F)c3)C2=O)cc1 25981986 FMWCFCUEWVQPHG-FQEVSTJZSA-N 419.403 3.097 0 40 HGAB Cc1ccccc1-c1ocnc1C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 26441287 UNCXZUPXBGZYSN-UHFFFAOYSA-N 405.454 3.337 0 40 HGAB Cc1ccc(S(=O)(=O)N2C(=O)CC[C@@H]2C(=O)Nc2cccc3ccccc23)cc1 28209490 WXNVJPHCEHPBRZ-HXUWFJFHSA-N 408.479 3.467 0 40 HGAB O=S(=O)(c1cc(Cl)ccc1Cl)N1CCN(c2cnc3ccccc3n2)CC1 30617285 REQLIZNTNIITOS-UHFFFAOYSA-N 423.325 3.448 0 40 HGAB CN(Cc1nnc(C(=O)Nc2ccc(F)cc2)s1)C[C@@H]1COc2ccccc2O1 31185276 ARHYFFPVYKUANI-OAHLLOKOSA-N 414.462 3.201 0 40 HGAB Cc1cc(I)cnc1NC(=S)NC(=O)/C=C/c1ccco1 32125446 RVPCRXBDBIGIED-SNAWJCMRSA-N 413.240 3.114 0 40 HGAB Cc1ccc(C)c(N2N=C(C(=O)O[C@H](C)C(=O)N[C@H]3CCCC[C@H]3C)CCC2=O)c1 32670052 GSGVHHVLWDPDBS-NXHRZFHOSA-N 413.518 3.413 0 40 HGAB CC(=O)N1C[C@@H](C(=O)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)Oc2ccccc21 32892913 SRMJNBBGPIPRCY-KKSFZXQISA-N 404.470 3.083 0 40 HGAB Cc1cc(C)n(-c2cccc(NC(=O)CNC(=O)c3ccc(Br)o3)c2)n1 32921779 RFEPYLZITXZRLH-UHFFFAOYSA-N 417.263 3.213 0 40 HGAB CCCOc1ccc(CNC(=O)c2snc(C(=O)NCc3ccccc3)c2N)cc1 33171853 POXILVLWQMWMHJ-UHFFFAOYSA-N 424.526 3.374 0 40 HGAB CNC(=O)c1cccc(NC(=O)[C@H]2CC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)c1 40130568 FDXGCKRHYXDPCI-HNNXBMFYSA-N 419.403 3.052 0 40 HGAB Cc1ccccc1NC(=O)[C@@H]1CC(=O)Nc2nc(Nc3ccc(F)cc3)[nH]c(=O)c21 40399611 QQYGSLAGMVUJJY-CQSZACIVSA-N 407.405 3.026 0 40 HGAB COc1cc(NC(=O)N[C@@H](C)CN2CCCC2=O)ccc1NC(=O)OC(C)(C)C 48302342 CCOZYCNMCCMLMV-ZDUSSCGKSA-N 406.483 3.175 0 40 HGAB COC(=O)c1cc(Cl)c(NC(=O)NCc2ccnc(-n3cccn3)c2)cc1OC 48312658 ORUAFPDZWSVDLW-UHFFFAOYSA-N 415.837 3.038 0 40 HGAB CSc1nc(C)c(CCC(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)nc2)c(C)n1 48332246 VSJXYJRHAROPOF-ZIAGYGMSSA-N 415.563 3.395 0 40 HGAB CC(=O)Nc1ccc(NC(=O)Cn2c(-c3cccc(Cl)c3)nc(C)cc2=O)cc1 57526977 DFMNJBZGODOLOM-UHFFFAOYSA-N 410.861 3.469 0 40 HGAB Cc1ccc2[nH]c(=O)c(-c3noc(CCC(=O)NCCc4ccccc4)n3)cc2c1 64789953 DEYPPYIDXDPACH-UHFFFAOYSA-N 402.454 3.178 0 40 HGAB CN(Cc1ccc(C(F)(F)F)cc1)C(=O)CCNS(=O)(=O)c1cccs1 69009323 WHOUNWMNUMNJDI-UHFFFAOYSA-N 406.451 3.094 0 40 HGAB COC(=O)CC1CCN(C(=O)c2cc(-c3ccccc3)nc3c2c(C)nn3C)CC1 71288250 LCIUVQHNIQWYDZ-UHFFFAOYSA-N 406.486 3.359 0 40 HGAB CCc1noc(-c2ccnc(-n3cnc(C(=O)N[C@H](C)c4ccc(OC)cc4)c3)c2)n1 71768550 SESNVIYEOMWBJI-CQSZACIVSA-N 418.457 3.379 0 40 HGAB NC(=O)c1cccc(-c2nccnc2[C@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)c1 72358934 CGZIYIYYHMEKNK-IBGZPJMESA-N 418.472 3.330 0 40 HGAB COc1cccc2sc(N3CC(OC(=O)/C=C/c4ccc5c(c4)OCO5)C3)nc12 77200594 OCXZSKLZUHLIEQ-SOFGYWHQSA-N 410.451 3.479 0 40 HGAB COc1ccc(-c2noc(CN(Cc3ccc(Cl)cc3)S(C)(=O)=O)n2)cc1 101150470 HISLKCPZFNKZKV-UHFFFAOYSA-N 407.879 3.360 0 40 HGAB COc1ccccc1N1CCN(C[C@@H](O)CO[C@@H]2C[C@H]3CC[C@@]2(C)C3(C)C)CC1 101213970 SWFMYEJWXJGCLJ-JDCWHPJTSA-N 402.579 3.410 0 40 HGAB CC(=O)c1ccccc1OC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1 101221320 NJKUNJQRZBVEBO-LRGYGIHKSA-N 401.418 3.420 0 40 HGAB CCOc1cccc(CNC(=O)CCCN(c2ccccc2C)S(C)(=O)=O)c1 113966677 XGAOXKMIECCQFL-UHFFFAOYSA-N 404.532 3.256 0 40 HGAB COc1ccc(CCNS(=O)(=O)c2ccc(NC(C)(C)C)c(C(=O)O)c2)cc1 217618362 OVGJFSXYBDHIIX-UHFFFAOYSA-N 406.504 3.125 0 40 HGAB COc1ccc([C@H](C)NC(=O)CN(c2cccc(OC(C)C)c2)S(C)(=O)=O)cc1 220112390 WWKFXDOEFYRXOS-INIZCTEOSA-N 420.531 3.126 0 40 HGAB CCOc1ccc(CNC(=O)[C@@H](C)N(c2ccc(CC)cc2)S(C)(=O)=O)cc1 220285956 OMEVHDDVBYDVBT-MRXNPFEDSA-N 404.532 3.119 0 40 HGAB CCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1Cl 223157126 PMODZLHLCBYXRR-UHFFFAOYSA-N 424.906 3.012 0 40 HGAB Cc1cc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)ccc1OCC(=O)N(C)C 223245773 PCMAVRWZSHTRHT-UHFFFAOYSA-N 416.421 3.282 0 40 HGAB CSc1ncc(C(=O)NC2CCCC2)c(N(C)S(=O)(=O)c2ccc(C)cc2)n1 223400964 XVRJOLSOWKCZFO-UHFFFAOYSA-N 420.560 3.004 0 40 HGAB Cc1ccc(OCCNC(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)c(C)c1 223633288 GEFAQQWPQMTTJX-UHFFFAOYSA-N 418.559 3.388 0 40 HGAB CC(C)CSc1nnc(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)s1 223633855 FBDNJZBTWLHCJZ-UHFFFAOYSA-N 412.562 3.214 0 40 HGAB CCOc1cc(CNS(=O)(=O)c2ccc(N3CCCC3=O)c(C)c2)ccc1OC 223853343 PZHFRAXDZVDWAY-UHFFFAOYSA-N 418.515 3.008 0 40 HGAB CC(C)Oc1cccc(CNC(=O)CN(Cc2ccccc2Cl)S(C)(=O)=O)c1 225439346 CXMFFGPQIBVBJM-UHFFFAOYSA-N 424.950 3.205 0 40 HGAB COc1ccc(CN(C(=O)COc2ccccc2OC)[C@@H](C)C(=O)NC(C)C)cc1 225666636 CIBISPHKOZEHQD-KRWDZBQOSA-N 414.502 3.025 0 40 HGAB O=C(CSCc1ccccc1)N1CCN(c2nccn3nc4c(c23)CCCC4)CC1 225742017 OLLSJXKAHOFHTG-UHFFFAOYSA-N 421.570 3.190 0 40 HGAB C[C@H](NC(=O)C(=O)NC[C@](O)(c1ccsc1)c1cccs1)c1ccccc1 253399768 JXFZUTQDKVMCBG-XOBRGWDASA-N 400.525 3.039 0 40 HGAB CCOC(=O)CSc1nc2ccc(N3C(=O)[C@@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2s1 253575982 VGSWIOPEJKFUGR-BNBDDXAPSA-N 414.508 3.263 0 40 HGAB C[C@@H]1CCC[C@@H](C)N1CCNC(=O)[C@H]1C[C@H]2CC[C@H]1C[C@@]21NC(=O)c2ccccc2N1 257255909 KJJQGAVGEXSPLV-ROKVTNCDSA-N 424.589 3.354 0 40 HGAB COc1ccc(CN2CCNC(=O)[C@H]2Cc2cccc(-c3ccncc3)c2)c(OC)c1 257267060 MFUJDZOMWHYGCN-HSZRJFAPSA-N 417.509 3.309 0 40 HGAB CC[C@H](C(=O)N[C@H](C)c1ccccc1OC)N(c1ccc(C)cc1)S(C)(=O)=O 260846818 ZWOUPTGQFRSZEY-VQIMIIECSA-N 404.532 3.426 0 40 HGAB CC[C@H](C)CNC(=O)c1nc(-c2ccnn2-c2cccc(OC)c2)n2ccncc12 306137170 QNMAEJDZXQDQDC-HNNXBMFYSA-N 404.474 3.367 0 40 HGAB COc1cccc(-c2cnc3c(N4CCN(Cc5cccc(C)n5)CC4)nccn23)c1 306138926 SKXDSQAZESWKFP-UHFFFAOYSA-N 414.513 3.431 0 40 HGAB CCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccccc2F)c(Cl)c1 408554942 FFNFIJLTDCHPTF-UHFFFAOYSA-N 400.859 3.185 0 40 HGAB CCc1cccc(CC)c1NS(=O)(=O)c1ccc(C)c(C(=O)N2CCOCC2)c1 408606334 OXABEWJEYYMLDI-UHFFFAOYSA-N 416.543 3.393 0 40 HGAB Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CCCCC3)cc2)cc1C 409369522 CJSVEKGKOVBFMM-UHFFFAOYSA-N 402.516 3.496 0 40 HGAB COc1ccc(-n2ccc(C(=O)N3CC[C@](O)(Cc4cccc(Cl)c4)C3)n2)cc1 500146997 HCZNIOXWPNZQHF-QFIPXVFZSA-N 411.889 3.354 0 40 HGAB Cc1ccsc1CNC(=O)CN1CCCC[C@H]1c1nnc(C2CCOCC2)o1 504333918 DIELUORRWYWMPK-INIZCTEOSA-N 404.536 3.177 0 40 HGAB Cc1oc(-c2cnn(C)c2)nc1C(=O)N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 536292194 JIGLSQUPTCHRBD-MRXNPFEDSA-N 418.400 3.199 0 40 HGAB COc1ccc2cc(CN(C[C@@H]3CCCO3)C(=O)c3ccccc3F)c(=O)[nH]c2c1 1366642 AVABSOHBKVYJLW-SFHVURJKSA-N 410.445 3.497 0 40 HGAB CCOC(=O)c1ccc(N2C(=O)C[C@H](N3CC=C(c4ccccc4)CC3)C2=O)cc1 1441196 UFBNNZSXPAWWBZ-NRFANRHFSA-N 404.466 3.285 0 40 HGAB COc1ccc(-c2nnc(SCC(=O)N3CCN(c4ccccc4)CC3)o2)cc1 2720289 XGYYFIANGIFREP-UHFFFAOYSA-N 410.499 3.186 0 40 HGAB CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(=O)oc3)cc2)cc1 3333966 CWTXXINLRASIQW-UHFFFAOYSA-N 414.439 3.092 0 40 HGAB COc1ccc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccccc2C(F)(F)F)cc1 3357922 NJHMZRVHYMOZDH-LLVKDONJSA-N 402.394 3.020 0 40 HGAB COc1cc([C@H]2[C@@H]3CCCC[C@]3(O)CCN2CC(=O)NCc2ccccc2)ccc1O 4061098 VRIZZBHMPMVZAN-OPXMRZJTSA-N 424.541 3.385 0 40 HGAB biogenic Cc1ccc(NC(=O)CSc2nnc3nc(O)c(C(C)(C)C)nn23)cc1Cl 4251450 FWTGYHJCUKRJCN-UHFFFAOYSA-N 406.899 3.215 0 40 HGAB CCCc1nnc(SCC(=O)Nc2ccc(OC)cc2OC)n1-n1cccc1 4518458 UPAHASIBVUWINM-UHFFFAOYSA-N 401.492 3.092 0 40 HGAB C[C@H](NC(=O)COC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCC3)c1ccccc1 4524630 ZHHGWQYKVCINTF-INIZCTEOSA-N 419.481 3.157 0 40 HGAB Cc1ccc(SCC(=O)O[C@H](C)C(=O)NCc2ccc3c(c2)OCO3)cc1C 4768588 GFWDSDPHYPMAJV-OAHLLOKOSA-N 401.484 3.372 0 40 HGAB CCc1ccccc1N(CC(=O)NC(C)(C)C)C(=O)CCC(=O)Nc1ccccn1 4848214 IGJYRIOLUXGIMN-UHFFFAOYSA-N 410.518 3.311 0 40 HGAB Cc1ccc(NC(=O)c2nnn(Cc3ccc(Br)cc3)c2N)cc1F 4852359 ZCDMHHSRMPVEHE-UHFFFAOYSA-N 404.243 3.371 0 40 HGAB CC(=O)Nc1cccc(NC(=O)[C@H](C)N2c3cccc4cccc(c34)S2(=O)=O)c1 4941363 SJCJBEJEIBOSMT-ZDUSSCGKSA-N 409.467 3.334 0 40 HGAB COC(=O)c1ccc(NC(=O)C2CCC(Cn3nnc4ccccc4c3=O)CC2)cc1 5271658 MTAIXENQSLOYBW-UHFFFAOYSA-N 420.469 3.023 0 40 HGAB O=c1nc2s/c(=C\c3c(Cl)cccc3Cl)c(=O)n2nc1-c1ccccc1 5775397 AZVLZSHOMNULRE-ZROIWOOFSA-N 402.262 3.033 0 40 HGAB CCOc1ccc(NC(=O)CN(C)CC(=O)N[C@H](C)c2ccccc2)cc1OCC 6207914 UCEJFHZBUGMMIE-QGZVFWFLSA-N 413.518 3.232 0 40 HGAB O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(F)(F)F)c1ccc(F)cc1 6549928 NJHVFFQAEABFHG-KRWDZBQOSA-N 407.367 3.327 0 40 HGAB CCc1ccccc1Nc1nc(N)nc(CSc2nc3nc(C)cc(C)n3n2)n1 6831402 POUSCDVOSCDOQE-UHFFFAOYSA-N 407.507 3.107 0 40 HGAB CCC(=O)N(c1nnc(SCC(=O)c2ccc(NC(C)=O)cc2)s1)C1CC1 7672969 POTQMIDHNRKCDX-UHFFFAOYSA-N 404.517 3.377 0 40 HGAB CCCCN1C(=O)c2ccc(C(=O)N(C)CC(=O)Nc3ccc(C)cc3)cc2C1=O 7799205 ZKZDBIPFDQVLBD-UHFFFAOYSA-N 407.470 3.102 0 40 HGAB Cc1cc(C(=O)COC(=O)Cn2c(C)csc2=O)c(C)n1Cc1cccs1 7985876 IOTBHTKYMXQTRJ-UHFFFAOYSA-N 404.513 3.172 0 40 HGAB CCc1cccc(CC)c1N1C[C@@H](C(=O)OCC(=O)Nc2ccccc2OC)CC1=O 8433811 FOGWXPJCZUZAGP-SFHVURJKSA-N 424.497 3.355 0 40 HGAB COc1cc(C(=O)N2CCN(c3ccc(C(C)=O)cc3F)CC2)cc(OC)c1OC 8721316 CVWODCUVRPNRAE-UHFFFAOYSA-N 416.449 3.017 0 40 HGAB COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)c(F)c1 8810156 YVOKZHSBGJAOMV-NSHDSACASA-N 400.859 3.045 0 40 HGAB COc1cccc(NC(=O)NC[C@H]2CC(=O)N(Cc3ccc(F)cc3)C2)c1OC 9066981 CUQDWJYHPMYERW-OAHLLOKOSA-N 401.438 3.013 0 40 HGAB CN(CC(=O)Nc1ccccc1Cl)C(=O)CNC(=O)Cc1cccc2ccccc12 9535173 XRFIVHMVPWLEOE-UHFFFAOYSA-N 423.900 3.249 0 40 HGAB CC(=O)[C@H](Cc1ccccc1)NC(=O)CN1CCC[C@@H]1c1ccc2c(c1)OCCCO2 9579248 RXDYZRXTYFRVEF-FCHUYYIVSA-N 422.525 3.301 0 40 HGAB O=C(COC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1O)c1ccccc1 9789007 QPSWFZSWVHBBRK-UHFFFAOYSA-N 417.464 3.294 0 40 HGAB Cc1ccc(CCCNC(=O)CN(c2cccc(Cl)c2C)S(C)(=O)=O)cc1 10110453 KEXBLVQZWLKEFO-UHFFFAOYSA-N 408.951 3.472 0 40 HGAB Oc1nnc(-c2ccccc2)c2c1Nc1nnnn1[C@@H]2c1ccc(Br)cc1 10232531 ULCDUDMXSCSNAV-MRXNPFEDSA-N 422.246 3.293 0 40 HGAB Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)NCc1ccc(N2CCCC2=O)cc1 10455448 RLEWFOSPSBOVSY-UHFFFAOYSA-N 416.481 3.115 0 40 HGAB COc1ccc2c(c1)CCCN2C(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 10541916 XELINQJRGGNUIK-UHFFFAOYSA-N 400.500 3.073 0 40 HGAB Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)OCCN1C(=O)c2ccccc2C1=O 10836703 POLKWQYQFQPKPQ-UHFFFAOYSA-N 414.483 3.494 0 40 HGAB COc1ccccc1OCC(=O)Nc1ccc2c(c1)N(C(=O)c1cccnc1)CC2 11695814 BWQAHZUQUGACRE-UHFFFAOYSA-N 403.438 3.311 0 40 HGAB CCOc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCO)cc1OCC 11914278 BHOVVAYXZGJBGG-OAQYLSRUSA-N 423.465 3.436 0 40 HGAB COc1ccccc1CC(=O)N[C@H]1C[C@@]2(CCC(=O)N(C)CC2)Oc2ccccc21 12086410 MTJAQKYAOBYBAC-CYFREDJKSA-N 408.498 3.259 0 40 HGAB CCc1cc(C(F)(F)F)n2nc([C@H]3CCN(C(=O)C[C@H](C)n4ccnc4)C3)cc2n1 12221288 PQPLOBCSEIXAMN-KBPBESRZSA-N 420.439 3.474 0 40 HGAB CN1CC(=O)N(CCCC(=O)Nc2nc(C34CC5CC(CC(C5)C3)C4)cs2)C1=O 12742649 GOLHBYXOHQQLDM-UHFFFAOYSA-N 416.547 3.224 0 40 HGAB CN(CC(=O)Nc1ccc(OC(F)(F)F)cc1)Cc1nc(O)c2sccc2n1 12774219 PHZZXUSJZGRENW-UHFFFAOYSA-N 412.393 3.366 0 40 HGAB CC[C@H](C)NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Br 12921444 OXNYXCXPALSVAL-LBPRGKRZSA-N 403.342 3.152 0 40 HGAB CC(C)[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N(C)Cc1cccc(Cl)c1 13005859 JIQMSTDKOCOBKN-GOSISDBHSA-N 419.934 3.062 0 40 HGAB Cc1ccc(-c2cc(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)[nH]n2)c(O)c1 13126963 LBFWDYHWPUWYFS-UHFFFAOYSA-N 403.442 3.141 0 40 HGAB CCN(CC(=O)Nc1cccc(Cl)c1)S(=O)(=O)c1cc(F)ccc1OC 13581174 JRECFEVPBOOVMQ-UHFFFAOYSA-N 400.859 3.137 0 40 HGAB CC[C@H](C(=O)NCCSCc1ccccc1)N(c1ccc(F)cc1)S(C)(=O)=O 13715340 QWORSZSXZAREII-LJQANCHMSA-N 424.563 3.420 0 40 HGAB C[C@H](NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 14388322 ZWIBAYLEOAKZIX-LBPRGKRZSA-N 401.315 3.491 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(C(=O)OCc2cn3cccc(C)c3n2)cc1 14674750 GFZLMAVPBXMSJD-UHFFFAOYSA-N 401.488 3.030 0 40 HGAB C[C@@H](C(=O)N1CCCc2ccccc21)N1CCC(C(=O)Nc2ccccc2O)CC1 15043466 ORZAHIHXWILKII-KRWDZBQOSA-N 407.514 3.411 0 40 HGAB CN(C)c1ncc(-c2cccc(Cl)c2)c([C@@H]2CCCN2C(=O)Cn2cccn2)n1 19689804 MOFCINLCPRDIPN-SFHVURJKSA-N 410.909 3.423 0 40 HGAB COc1ccc(CN2CCC(c3nc(N(C)C)ncc3-c3cncnc3)CC2)cc1 19695283 VMLNVNGNHKCPFP-UHFFFAOYSA-N 404.518 3.388 0 40 HGAB CCC1(CC)NC(=O)N(CC(=O)Nc2cccc(-c3cn4ccsc4n3)c2)C1=O 19715283 RAQHTIKZYMOCFS-UHFFFAOYSA-N 411.487 3.112 0 40 HGAB O=C(Nc1cccc(-n2cccn2)c1)[C@H]1CC(=O)N(CCc2c[nH]c3ccccc23)C1 19718216 DQCYYDNOASZMBZ-SFHVURJKSA-N 413.481 3.383 0 40 HGAB CCn1cncc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(OC)c2)CC1 19747048 UOOJYXCIWUCOBM-NRFANRHFSA-N 424.545 3.459 0 40 HGAB O=C(Cc1ccccc1)N1CCC(CC(=O)N2CCCC[C@H]2CN2CCCC2)CC1 19748238 GURWGZYBESUSPR-QHCPKHFHSA-N 411.590 3.335 0 40 HGAB COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NC(C)(C)C)cc1Cl 20005911 XNYAEPKDAZBWAY-QGZVFWFLSA-N 424.950 3.153 0 40 HGAB Cc1ccc(-n2ncc3c(C4CC4)nn(CC(=O)Nc4cc(C)on4)c(=O)c32)c(C)c1 22768165 ZHXISHRWKSRNBN-UHFFFAOYSA-N 418.457 3.012 0 40 HGAB CCc1ccccc1NC(=O)CN1CCN(Cc2nc(-c3ccc(F)cc3)no2)CC1 22933288 PKCGUDOQHBEGCZ-UHFFFAOYSA-N 423.492 3.194 0 40 HGAB CSc1ccc(CN(C)C(=O)CN2C(=O)N[C@](C)(c3ccc(C)cc3)C2=O)cc1 23804860 QERYRBWMPGXUHQ-JOCHJYFZSA-N 411.527 3.143 0 40 HGAB C[C@@H](NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1)c1ccc(F)c(F)c1 24040059 LGZVLPBBJLYXED-KUHUBIRLSA-N 408.470 3.385 0 40 HGAB NC(=O)[C@@H]1C[C@H](O)CN1c1nc(/C=C/c2ccccc2)nc2sc3c(c12)CCCC3 24770367 LOLRJOYQBCWZJL-RAUBDSNISA-N 420.538 3.165 0 40 HGAB O=C(Cc1ccc2c(c1)CCCC2)N1CCC(NS(=O)(=O)c2ccccc2)CC1 26092895 YXSDTINZKYVAMW-UHFFFAOYSA-N 412.555 3.077 0 40 HGAB O=C(Cn1c(=O)cnc2ccccc21)NCc1ccc(CN2CCc3ccccc32)cc1 27588789 VNBSFEWFLJWMBC-UHFFFAOYSA-N 424.504 3.276 0 40 HGAB O=C(COc1cccc(C(F)(F)F)c1)Nc1ccccc1C(=O)N1CCOCC1 27972461 SBSLIWPXEQBATF-UHFFFAOYSA-N 408.376 3.195 0 40 HGAB CN(C)S(=O)(=O)c1ccc(OCCn2c(C(F)(F)F)nc3ccccc32)cc1 28192558 NEVBIBCXPXQXQN-UHFFFAOYSA-N 413.421 3.384 0 40 HGAB COc1ccc(CN2CCN(C(=O)NCc3nc4ccccc4s3)CC2)cc1F 29676869 BATNDFCBAHYJBY-UHFFFAOYSA-N 414.506 3.471 0 40 HGAB O=S1(=O)C[C@H]2N=C(SCCOc3ccccc3)N(c3cccc(Cl)c3)[C@@H]2C1 32640663 LRIAGPKHALRGHN-QZTJIDSGSA-N 422.959 3.494 0 40 HGAB O=C(OCc1cc(=O)oc2cc3c(cc12)CCC3)c1cccc(N2C(=O)CCC2=O)c1 32910886 LBMVJBXDPQLWTE-UHFFFAOYSA-N 417.417 3.292 0 40 HGAB COc1ccc(CN(C)C(=O)c2ccccc2S[C@H]2CCS(=O)(=O)C2)cc1F 34894806 PNDZVJAIDSJSCC-HNNXBMFYSA-N 423.531 3.386 0 40 HGAB COc1cc([C@H]2CC(=O)Oc3cc(OC)c(OC)c(OC)c32)cc(OC)c1OC 34960895 FQWZRAZLDJCHNW-GFCCVEGCSA-N 404.415 3.179 0 40 HGAB biogenic Cc1cc(OCC(=O)N2CCN(c3ccc(F)cc3)CC2)nc(-c2ccc(F)cc2)n1 35537599 IKGHMDMBWZKQEP-UHFFFAOYSA-N 424.451 3.458 0 40 HGAB CCOC(=O)c1ccc(NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)cc1Cl 38755052 BQXUDXPLWODSSO-UHFFFAOYSA-N 410.879 3.165 0 40 HGAB COc1ccc([C@@H](C)NC(=O)C2CCN(C(=O)NCc3ccco3)CC2)cc1F 40131528 VLXUQPOXCQLZFI-CQSZACIVSA-N 403.454 3.226 0 40 HGAB Cc1occc1C(=O)Nc1nc(CC(=O)Nc2cccc(C(=O)NC3CC3)c2)cs1 40131847 DPTMMVNQDGOCAI-UHFFFAOYSA-N 424.482 3.370 0 40 HGAB CCN(CC)C(=O)N1CCC[C@@H](C(=O)N[C@H](C)c2cc(OC)c(OC)cc2C)C1 40134331 ZGGIIZDIUFULGX-IAGOWNOFSA-N 405.539 3.363 0 40 HGAB CSc1ccc(CNC(=O)CN2CCc3[nH]c4c(F)cccc4c(=O)c3C2)cc1 49003128 ACSMNTWAPXYUTM-UHFFFAOYSA-N 411.502 3.064 0 40 HGAB CCCCN(CC)C(=O)Cn1c(=O)n(-c2ccc(C)c(C)c2)c(=O)c2sccc21 57491056 VBXKOIPSZAFZNY-UHFFFAOYSA-N 413.543 3.479 0 40 HGAB COc1ccccc1NC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1 64985307 CCGWPYFGMMPLIP-NRFANRHFSA-N 424.478 3.290 0 40 HGAB Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)NC(C)C)Oc3ccc(Cl)cc32)cc1 64986088 UEWOHNSSQRPPII-GOSISDBHSA-N 408.907 3.129 0 40 HGAB CCN(CC)C[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=S)Nc1ccc(N(C)C)cc1 67870713 AXOMVQGHNKKUDP-BBTUJRGHSA-N 403.640 3.091 0 40 HGAB biogenic,in-vitro O=C(Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2CC2CCCCC2)cc1)c1ccco1 67896466 DFLCNVJNFWEMEY-DENIHFKCSA-N 412.486 3.373 0 40 HGAB biogenic,in-vitro O=C(NCc1ccc(C(F)(F)F)cc1)[C@@H]1CCCN1S(=O)(=O)c1cccs1 71850197 IKDMZGYMDKQYKM-AWEZNQCLSA-N 418.462 3.236 0 40 HGAB O=C(CCCCCn1nnc2ccccc2c1=O)Nc1nnc(C2CCCC2)s1 72405273 RBPPEFZZCBJZNY-UHFFFAOYSA-N 412.519 3.500 0 40 HGAB CC(C)OC(=O)c1ccc(NC(=O)[C@H](C)N2CC[C@H](CN3CCCCC3)C2)cc1 78950285 RCMRYSJGVGIADW-RBUKOAKNSA-N 401.551 3.387 0 40 HGAB Cc1csc(C2(NC(=O)c3cc(S(=O)(=O)N4CCCC4)c(C)o3)CCCC2)n1 79033529 IBSPQAPBYFKDFB-UHFFFAOYSA-N 423.560 3.337 0 40 HGAB COc1ccc([C@@H]2[C@@H](C(=O)NCCc3ccncc3)c3ccccc3C(=O)N2C)cc1 79491402 SQHJPCUOZRXHPP-XZOQPEGZSA-N 415.493 3.360 0 40 HGAB COc1ccc(C)cc1N1C[C@@H](C(=O)N(C[C@H](O)c2ccccc2)C2CC2)CC1=O 84144642 VIQDXTWEKOFWEP-RXVVDRJESA-N 408.498 3.081 0 40 HGAB Cn1nc(N2CCC[C@H](C(=O)Nc3cc(C(F)(F)F)ccc3Cl)C2)ccc1=O 90592430 RZCVQRGEVVPVGG-NSHDSACASA-N 414.815 3.308 0 40 HGAB CC(C)(C)OC(=O)N1CCC2(CC1)CN(C(=O)OCc1ccccc1)C[C@@H]2C(=O)O 91302608 YYMFOZZYJSNYCY-QGZVFWFLSA-N 418.490 3.357 0 40 HGAB in-vitro Cc1nc2ccc(F)cc2c(=O)n1CC(=O)NCCc1c[nH]c2ccc(Cl)cc12 95478234 VLVRSACZIZQSSN-UHFFFAOYSA-N 412.852 3.338 0 40 HGAB C[C@@H](NC(=O)CN1CCOC[C@@H]1CC(=O)c1ccccc1)c1ccccc1Cl 95975610 ZYCRYBODJBAFDM-AEFFLSMTSA-N 400.906 3.491 0 40 HGAB COCc1cc(=O)c(O)c([C@@H](CC(=O)N2CCOCC2)c2cccc3ccccc23)o1 96231025 UHUFWZVNMPVUMF-FQEVSTJZSA-N 423.465 3.026 0 40 HGAB O=C([C@@H]1C[C@@H]2C=C[C@@H]1C21CC1)N1CCC[C@H]([C@@H]2C[C@H](C(F)F)n3ncnc3N2)C1 100151311 RJUQHNSGOGRRGE-CVWVJMLGSA-N 403.477 3.109 0 40 HGAB CCC(=O)NC[C@H]1CC[C@H](c2cc(C(=O)N3CCN(C)CC3)c3ccccc3n2)CC1 100658006 FYTYAMIUSQUTMM-KDURUIRLSA-N 422.573 3.422 0 40 HGAB COC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(C(=O)c3ccccc3)s2)cc1 206682563 BBNFRVXFHVSALL-UHFFFAOYSA-N 422.462 3.021 0 40 HGAB COC(=O)c1ccc(OC)c(NS(=O)(=O)c2ccc(Br)cc2)c1 223642452 ZORBPUALBXGMOL-UHFFFAOYSA-N 400.250 3.045 0 40 HGAB CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccn(-c2ccccc2)c1 223672524 ZRZBKBXRMPWLRK-RTWAWAEBSA-N 406.511 3.408 0 40 HGAB COc1ccc(OCC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NCC(C)C)cc1 224484330 SVDLWTCYHYRCJQ-IBGZPJMESA-N 412.530 3.306 0 40 HGAB COC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(Cl)c1Cl 224609732 NKBQIEAOFDINQF-UHFFFAOYSA-N 404.271 3.370 0 40 HGAB COc1cc(C(=O)N2CCS/C2=C/c2c(C)nn(C)c2C)cc(OC)c1OC 225244908 JXXKQOOGIBOPGG-WOJGMQOQSA-N 403.504 3.250 0 40 HGAB CC1(C)Oc2cc(O)ccc2[C@@H]2O[C@@H]3CCN(C(=O)CCCC(=O)O)C[C@H]3C[C@H]21 257247311 IYKBSAKDDAXMCZ-SJBXNIEPSA-N 403.475 3.113 0 40 HGAB O=C(COc1ccc(F)c(Cl)c1)N1CCCC[C@@H]1c1nnc(-c2cnccn2)o1 257335420 YKBQNGXXVXNITB-MRXNPFEDSA-N 417.828 3.452 0 40 HGAB O=C(NCCn1nc([C@H]2CCCN(C(=O)[C@H]3CC=CCC3)C2)c2cccnc21)C1CC1 257342177 ZNLJWEYIGMCSTC-OALUTQOASA-N 421.545 3.020 0 40 HGAB COc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)N[C@H]3C[C@H]4CC[C@H]3C4)c2)cc1 260561478 GJBJIHZPJSKDAN-QYWGDWMGSA-N 414.527 3.439 0 40 HGAB O=C(NCC1CCCCC1)C1CCN(C2=NO[C@H]3CN(Cc4ccccc4)C[C@@H]23)CC1 306125829 DDDYMHSPRXAZRJ-PKTZIBPZSA-N 424.589 3.239 0 40 HGAB COc1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccc(C)cc3)[C@@H]2c2ccccc2)cc1 409057896 MTRKSCGQRZOFPK-AYHYUOJHSA-O 414.485 3.020 0 40 HGAB Cc1ccccc1C(=O)NCc1nnc(SCC(=O)N[C@H](C)c2ccccc2)n1C 409060934 XDUVYGQFTYRZPO-MRXNPFEDSA-N 423.542 3.023 0 40 HGAB O=C(CN1C(=O)S/C(=C/c2ccc3c(c2)OCO3)C1=O)Nc1cccc(F)c1 409229382 OGRVBPTZCDTZLU-FRKPEAEDSA-N 400.387 3.229 0 40 HGAB COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)c1ccc3nn[nH]c3n1)CC2 544376201 XUGRFCUWMRFGCO-OAQYLSRUSA-N 415.453 3.158 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCC3(CC2)CC(=O)N(Cc2ccccc2)O3)c(F)c1 1549161648 HVMZROPUFHLFDW-UHFFFAOYSA-N 418.490 3.022 0 40 HGAB CC[C@@H]1CN(C(=O)Cc2ccc(OC)cc2)[C@H](CO)[C@@H]1CN(C)CCc1ccccc1 1772594888 DNELIECVESTXIM-QLBJFCOMSA-N 424.585 3.258 0 40 HGAB C[C@H](Oc1ccccc1F)C(=O)N1CCC(n2nc(C(C)(C)C)ccc2=O)CC1 1775969357 MZBKSNRVZMENIZ-HNNXBMFYSA-N 401.482 3.311 0 40 HGAB CC(=O)c1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)c1 792326 CMSIHLPKHBPYQL-GOSISDBHSA-N 400.500 3.237 0 40 HGAB CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccccc3)N3CCCC3)cc2c1 893468 VADMZIUIDPUUNL-JOCHJYFZSA-N 414.513 3.311 0 40 HGAB O=C(COC(=O)c1ccc2c(c1)OCCO2)Nc1ncc(C(F)(F)F)cc1Cl 3313251 XSALHCUCLFIHNJ-UHFFFAOYSA-N 416.739 3.321 0 40 HGAB CCNC(=O)NC(=O)[C@@H](C)Sc1nc2cc(Cl)ccc2c(=O)n1CC(C)C 3378950 HUNBJLFXVIAIFP-LLVKDONJSA-N 410.927 3.032 0 40 HGAB C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1ccccc1C(=O)c1ccccc1)C2=O 3407988 NDBFOMOIJSKSJM-GYCJOSAFSA-N 419.481 3.357 0 40 HGAB C[C@H](OC(=O)c1ccccc1NC(=O)c1ccco1)C(=O)Nc1ccc2c(c1)OCO2 3483366 ODCMUCXERIUKRQ-ZDUSSCGKSA-N 422.393 3.445 0 40 HGAB O=C(Nc1ccccc1C(=O)OCCCn1c(=O)[nH]c2ccccc21)c1ccco1 3568150 IJXLKLUOISFSOP-UHFFFAOYSA-N 405.410 3.422 0 40 HGAB C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)NC(c1ccccc1)c1ccccc1)C2=O 3595904 WINBRVFGAIVQSL-MZNJEOGPSA-N 405.498 3.393 0 40 HGAB O=C(Nc1ccc2c(c1)OCCO2)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 3597920 JSTQOAJJXFRAEP-UHFFFAOYSA-N 422.890 3.148 0 40 HGAB CCCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(Br)c(O)c(OC)c1 4083947 URQLQQGENCGBLP-CQSZACIVSA-N 413.268 3.135 0 40 HGAB Cc1cc(C)c(OCC(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)c(C)c1 4183437 HHWXDFLUAABZCP-QGZVFWFLSA-N 407.557 3.268 0 40 HGAB CCn1c(SCC(=O)Nc2ccc(C(=O)OC)cc2)nnc1-c1ccoc1C 4860603 UQRCEYOJGCIVRI-UHFFFAOYSA-N 400.460 3.384 0 40 HGAB Cc1ccc(NC(=O)Cc2nnc(SCC(=O)Nc3ccccc3F)n2C)cc1 6477010 ZRNQZHVPBBMCSR-UHFFFAOYSA-N 413.478 3.175 0 40 HGAB COc1cccc(OC)c1C(=O)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1 6954638 XDPGANYWSPUHQY-UHFFFAOYSA-N 416.346 3.362 0 40 HGAB CCN(CC)C(=O)c1ccc(NC(=O)Cn2cnc3sc4c(c3c2=O)CCC4)cc1 8988241 JDXLGKJKNJELFL-UHFFFAOYSA-N 424.526 3.067 0 40 HGAB Cc1nn(-c2ccccc2)c(C)c1CCc1nn2c(-c3cnccn3)nnc2s1 8991237 IBNUYSXGVBQCSQ-UHFFFAOYSA-N 402.487 3.231 0 40 HGAB O=C1N[C@@H](c2cccc(O)c2)[C@@H](C(=O)c2ccc(Cl)cc2)[C@](O)(C(F)(F)F)N1 9130177 RDQLJCDEPOORFC-ZQIUZPCESA-N 414.767 3.150 0 40 HGAB CCCOC(=O)[C@H]1[C@H]2C=C[C@]3(CN([C@H](C)c4ccc(Br)cc4)C(=O)[C@H]13)O2 9304013 FMFOZGYRCXMSOM-CMJVQNDMSA-N 420.303 3.245 0 40 HGAB O=C(Cn1ncc(Cl)c(Cl)c1=O)Nc1ccccc1C(=O)Nc1ccccc1 9491204 QCGRNTNSYDWDEI-UHFFFAOYSA-N 417.252 3.441 0 40 HGAB O=C(Cn1c(=O)oc2ccccc21)Nc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1 9533042 MUNSCMBQWNXPAY-UHFFFAOYSA-N 420.450 3.241 0 40 HGAB CC(=O)Nc1ccc(NC(=O)Cn2nc(-c3ccco3)c3sc(C)nc3c2=O)cc1 11613071 BJTJQRYQHWTJNS-UHFFFAOYSA-N 423.454 3.019 0 40 HGAB Cc1ccc(-c2ccc(N3CCN(S(=O)(=O)c4cccs4)CC3)nn2)cc1 11695343 VCBKUYQTIUISLZ-UHFFFAOYSA-N 400.529 3.024 0 40 HGAB C[C@H](Oc1ccccc1)C(=O)Nc1cc(C2CC2)nn1-c1nc2c(c(=O)[nH]1)CCCC2 12130501 AOKFQTOUBBEPGH-AWEZNQCLSA-N 419.485 3.118 0 40 HGAB COc1ccc(N2C[C@@H](C(=O)Nc3cccc(Br)c3)CC2=O)c(OC)c1 12784698 KAFCQEYZNMQXLQ-LBPRGKRZSA-N 419.275 3.458 0 40 HGAB O=C1COc2cc(C(=O)Nc3ccc(N4CCc5sccc5C4)nc3)ccc2N1 12888597 SEWYYWVMJFNLFI-UHFFFAOYSA-N 406.467 3.289 0 40 HGAB O=C(Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1)[C@@H]1CCS(=O)(=O)C1 12911159 RXLCVRGTWSLPOD-LLVKDONJSA-N 404.435 3.126 0 40 HGAB Cc1cc(C)c2cc(C(=O)N3CCN(CC(=O)N4C[C@@H](C)C[C@H](C)C4)CC3)[nH]c2c1 13003666 JKJBUTJFNJLNJO-ROUUACIJSA-N 410.562 3.047 0 40 HGAB C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)N3CCC[C@@H]4CCCC[C@@H]43)cc2)C[C@@H](C)O1 14598129 KTGJVSWFPZDTEU-NYUBLWNDSA-N 420.575 3.279 0 40 HGAB C[C@@H]1CCC[C@H](NC(=O)C2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)[C@@H]1C 14798966 CJDBEARHMRCKCG-LBTNJELSSA-N 414.518 3.306 0 40 HGAB CC(C)CSc1nnc(NC(=O)CSc2nnc(-c3ccncc3)n2C)s1 15019395 BXOMYWZFCIUNID-UHFFFAOYSA-N 421.577 3.208 0 40 HGAB CNC(=O)c1ccc(S(=O)(=O)Nc2ccc(OC)c(Cc3ccccc3)c2)cc1 16729852 QYJCYCWALQYMMJ-UHFFFAOYSA-N 410.495 3.446 0 40 HGAB CCCS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2cc(Cl)ccc2OC)n1 16753860 DPTJRGCCPSANEE-UHFFFAOYSA-N 404.275 3.228 0 40 HGAB Cc1nc(N2CCC(C)CC2)ncc1C(=O)N(Cc1ccccn1)C[C@H]1CCCO1 19663481 IWHGYDCIYDNCKA-HXUWFJFHSA-N 409.534 3.238 0 40 HGAB COCCNC(=O)c1sc2ncccc2c1[C@H]1CCN(Cc2cnc(C)s2)C1 19702528 MQLJHUFSQSZEJQ-AWEZNQCLSA-N 416.572 3.427 0 40 HGAB O=C(NCc1cc(Cl)c2c(c1)OCCCO2)c1ccc(N2CCOCC2)cc1 19717342 FJNGBHINXFQMKH-UHFFFAOYSA-N 402.878 3.268 0 40 HGAB C[C@H]1Cc2cc(CN(C)C(=O)CCS(=O)(=O)c3cccc4cccnc34)ccc2O1 19718270 KPPMXAXVKGFXNM-INIZCTEOSA-N 424.522 3.381 0 40 HGAB CC[C@H]1CCCCN1CCCNC(=O)c1ccc(NS(C)(=O)=O)c(Cl)c1 20048391 OGEGGCUQFAVZSY-HNNXBMFYSA-N 401.960 3.096 0 40 HGAB COc1ccc([C@H](c2nnnn2C(C)(C)C)N2CCN(c3ccccc3)CC2)cc1 20139469 TWRHETAIAOXKSJ-OAQYLSRUSA-N 406.534 3.348 0 40 HGAB O=C(NC(=S)N1CCN(C/C=C/c2ccccc2)CC1)c1ccc(Cl)nc1 20191711 BRDRJVRTIZIWFA-QPJJXVBHSA-N 400.935 3.081 0 40 HGAB O=c1c2cc3c(=O)n(CC4CCCCC4)c(=O)c3cc2c(=O)n1CC1CCCCC1 20428870 CNDIOMSWCVVULV-UHFFFAOYSA-N 408.498 3.073 0 40 HGAB O=C(c1ccccc1)N1CCN(C[C@H](O)COc2ccc(Cl)cc2Cl)CC1 23409499 ODISWDNDLIEURG-KRWDZBQOSA-N 409.313 3.191 0 40 HGAB Cc1ccc(-c2c(C)sc3nc(CN4CCN(C(=O)C5CC5)CC4)[nH]c(=O)c23)cc1 23864968 VLKXWVRMACKRBR-UHFFFAOYSA-N 422.554 3.323 0 40 HGAB COc1ccc(C2=NN(C(=O)CSc3nc(C)cc(N)n3)[C@H](c3ccco3)C2)cc1 24841113 CVASWSIDRUPIOC-KRWDZBQOSA-N 423.498 3.439 0 40 HGAB CSc1nc2ccccc2n1CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 25765244 GWMDQKUBRDNYAX-UHFFFAOYSA-N 416.572 3.031 0 40 HGAB CCOc1ccccc1CNC(=O)CN(c1ccc(Cl)cc1C)S(C)(=O)=O 30755757 WMYGIDRVGZWCSG-UHFFFAOYSA-N 410.923 3.130 0 40 HGAB COC(=O)[C@@H](CC(C)C)NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(Cl)cc1F 36569493 QEPFXWRSBNCYAF-SJLPKXTDSA-N 422.888 3.447 0 40 HGAB CC(C)[C@@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)N1CCN(Cc2ccccc2)CC1 36569662 YSYXTVVVSQVOCF-HSZRJFAPSA-N 418.541 3.267 0 40 HGAB CSCC[C@H](CO)NC(=O)CCc1c(C)c2cc3c(C)coc3cc2oc1=O 36575675 JDKOOQMEBDQUSJ-CQSZACIVSA-N 403.500 3.319 0 40 HGAB biogenic CC(=O)Nc1ccc(S(=O)(=O)CCC(=O)N2CCc3cc(Cl)ccc32)cc1 36752154 XPPKQZISRVMHHW-UHFFFAOYSA-N 406.891 3.052 0 40 HGAB COc1ccccc1CNC(=O)c1nnn(-c2ccc(F)cc2)c1-c1ccncc1 38487894 WLTRWZNYSVCQIZ-UHFFFAOYSA-N 403.417 3.407 0 40 HGAB CN(CCCc1ccccc1)C(=O)Nc1ccc(N2CCNC(=O)C2)c(Cl)c1 40121837 OMHILPXLEHZGTO-UHFFFAOYSA-N 400.910 3.373 0 40 HGAB COc1cc(OC)cc(C(=O)N2CCC(C(=O)Nc3cc(F)ccc3F)CC2)c1 40128458 DJOKGVPUIKNJOC-UHFFFAOYSA-N 404.413 3.473 0 40 HGAB CC[C@H](NC(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(C)ccc2O1)c1ccc(C)cc1C 44856733 ZJTWPAJASUWTOU-RXVVDRJESA-N 416.543 3.406 0 40 HGAB O=C(CN1CCN(CCOc2c(Cl)cccc2Cl)CC1)N1CCCCCC1 52685094 GQBZDARJHRWFFL-UHFFFAOYSA-N 414.377 3.392 0 40 HGAB O=C(CN1C(=O)COc2ccc(Cl)cc21)NCc1sccc1Br 58766752 XVZGAWSTRCYMAO-UHFFFAOYSA-N 415.696 3.206 0 40 HGAB Cc1ccc(CNC(=O)Cn2cc(-c3ccccc3C)c(N3CCOCC3)n2)cc1 62006928 WNEWIJBPXJVXIN-UHFFFAOYSA-N 404.514 3.320 0 40 HGAB O=c1c2sccc2n2c(=O)n(Cc3ccc(F)cc3)nc2n1CCc1ccccc1 64946334 YGHRGGGLGXXGNM-UHFFFAOYSA-N 420.469 3.303 0 40 HGAB Cc1nc(-c2cccc(Cl)c2)n(CC(=O)Nc2ccccc2F)c(=O)c1CCO 67301630 JIHNTVUFBFNNFZ-UHFFFAOYSA-N 415.852 3.185 0 40 HGAB CC(C)(C)c1ncc(NC(=O)[C@@H]2CCCN(C(=O)CCOc3ccccc3)C2)cn1 71830041 IPUUGUFVDGEOBR-QGZVFWFLSA-N 410.518 3.420 0 40 HGAB O=C(c1cccc(O)c1)N1CCN(C(=O)c2cc(Cc3ccccc3)ccc2O)CC1 72075938 GAQUXHNDNHTJRA-UHFFFAOYSA-N 416.477 3.287 0 40 HGAB CCc1ccc([C@@H](C)NC(=O)[C@@H](C)N2CCC(OCCN3CCCC3)CC2)cc1 72305620 FZVQBVBSEZYQMJ-WOJBJXKFSA-N 401.595 3.392 0 40 HGAB COc1ccc(N[C@@H](C)c2c(F)cccc2F)cc1S(=O)(=O)N1CCOCC1 84647289 NLSFAYZLJPIFDQ-ZDUSSCGKSA-N 412.458 3.167 0 40 HGAB CCN(CC)C(=O)c1ccc(S(=O)(=O)NC[C@@H](C[C@@H](C)O)c2ccccc2)cc1 84771014 SROHYENHVGFKTM-YLJYHZDGSA-N 418.559 3.002 0 40 HGAB Cc1ccc(-c2nc(COC(=O)CN3C(=O)NC4(CCCCC4)C3=O)cs2)cc1 89642539 VMHKDWSXGHGVSR-UHFFFAOYSA-N 413.499 3.416 0 40 HGAB CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NC[C@H]1CCCN(C(=O)c2cccs2)C1 89661986 YBHVRCIUSFTNIF-HZPDHXFCSA-N 421.563 3.116 0 40 HGAB COc1ccc2[nH]c(=O)c([C@H]3SCC(O)=Nc4c3c(=O)[nH]n4C(C)C)cc2c1 95479558 IPGXZSYRNMHVSH-MRXNPFEDSA-N 400.460 3.032 0 40 HGAB CCCCn1nc(C)c(C(=O)N2CCC(C)(CN3CCN(C)CC3)CC2)c1Cl 96013936 BPYWUMJVQFXBGI-UHFFFAOYSA-N 410.006 3.135 0 40 HGAB COC(=O)C[C@@H](c1oc(C)cc(=O)c1O)c1cc2ccccc2n(CC(C)C)c1=O 96114763 NBYVANABBFVCOX-MRXNPFEDSA-N 411.454 3.320 0 40 HGAB biogenic O=C(Cc1c(F)cccc1Cl)NCC1CCN(C(=O)COc2ccccc2)CC1 96120348 NJZQMAARZKDTIC-UHFFFAOYSA-N 418.896 3.455 0 40 HGAB CC(C)(C)c1ccc(C(=O)N2[C@H]3CC[C@H]2CC(O)(c2ccc4c(c2)OCO4)C3)c(=O)[nH]1 100773871 ZJNYTRLBDJONBX-HOTGVXAUSA-N 424.497 3.056 0 40 HGAB CCCOC(=O)[C@@H]1[C@@H]2C=C[C@]3(CN([C@@H](C)c4ccc(Br)cc4)C(=O)[C@H]13)O2 101941927 FMFOZGYRCXMSOM-IEKXTCBJSA-N 420.303 3.245 0 40 HGAB COC(=O)C1=C(C(=O)OC)[C@H]2C[C@H]1[C@H]1[C@@H](c3ccccc3)N(c3ccccc3)O[C@@H]12 103168410 NEDBHIHBGHFCBX-LQDXOGNASA-N 405.450 3.457 0 40 HGAB O=C(NC[C@H]([C@H]1CCOC1)N1CCOCC1)N[C@H](Cc1ccccc1)c1ccccc1 104676908 MHCGKCBYLOCQDA-RBZQAINGSA-N 423.557 3.007 0 40 HGAB COc1c2ccc(C(=O)NC[C@@H]3CCCN3c3nc4ccccc4o3)cc2nn1C 206773187 DSVONRMEIOCGMT-HNNXBMFYSA-N 405.458 3.122 0 40 HGAB CCOc1ccc(CCCNC(=O)c2cc(NS(C)(=O)=O)ccc2Cl)cc1 219283733 FYPYQQYJFSDSGT-UHFFFAOYSA-N 410.923 3.473 0 40 HGAB S=C1N[C@H](c2ccccn2)[C@H](c2ccc(Cl)s2)N1CCCN1CCOCC1 223168525 AGPJBCYIJMZNCQ-MSOLQXFVSA-N 423.007 3.491 0 40 HGAB Cc1cc(C)cc(OCCNC(=O)CCCN(c2ccccc2C)S(C)(=O)=O)c1 224103434 HTSBUOVKPOLMIJ-UHFFFAOYSA-N 418.559 3.353 0 40 HGAB CC[C@@H](NC(=O)CN(c1ccccc1OC)S(C)(=O)=O)c1ccc(OC)c(C)c1 224518902 QWVVCHWZSBAEBJ-QGZVFWFLSA-N 420.531 3.046 0 40 HGAB Cc1ccc(N(CCCC(=O)NCCOc2ccccc2C)S(C)(=O)=O)c(C)c1 224646772 HXFFIODUMXHICP-UHFFFAOYSA-N 418.559 3.353 0 40 HGAB CCOc1ccc(NC(=O)[C@]2(C)CCCN(c3ccc(OC)cc3)S2(=O)=O)cc1 225951863 WPUYSCZXIZPRNS-NRFANRHFSA-N 418.515 3.421 0 40 HGAB Cc1noc(-c2ccn3c(CNC(=O)c4cc(-c5ccc(F)cc5)c[nH]4)nnc3c2)n1 238824473 DKHDIVFPLVQXGD-UHFFFAOYSA-N 417.404 3.152 0 40 HGAB CCOc1ccc(N([C@H](C)C(=O)N[C@H](C)c2ccc(C)cc2)S(C)(=O)=O)cc1 260408995 YMBIIFLRHWIYFP-IAGOWNOFSA-N 404.532 3.426 0 40 HGAB COCCCNC(=S)Nc1nc(N2CCC(C)CC2)cc(N2CCC[C@H](C)C2)n1 260740011 ROYHBDDEDLYKKL-KRWDZBQOSA-N 420.627 3.272 0 40 HGAB C[C@@H](C(=O)NCc1ccc(Cl)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O 408547289 YKEINZOXZDCMIZ-LBPRGKRZSA-N 401.315 3.464 0 40 HGAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccc(OC)c(Cl)c2)cc1 408602710 IVAIIJYOLYSGHO-LBPRGKRZSA-N 412.895 3.053 0 40 HGAB O=C(O)CC[C@@H](c1ccccc1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 408607242 KELRJFDZFKKVNN-IBGZPJMESA-N 422.934 3.252 0 40 HGAB CS(=O)(=O)N(CCCC(=O)Nc1ccc(Cl)cc1)c1ccc2c(c1)OCO2 408703800 HGYKRTVOMCLNHS-UHFFFAOYSA-N 410.879 3.254 0 40 HGAB CCS(=O)(=O)N(CC(=O)Nc1cccc2ccccc12)c1ccc2c(c1)OCO2 408706406 NVYAAZBVNFDHDR-UHFFFAOYSA-N 412.467 3.363 0 40 HGAB COc1ccccc1/C=C1\SC(=O)N(CC(=O)N2CCc3ccccc3C2)C1=O 409202738 ULCMGKOBRWTTLJ-UNOMPAQXSA-N 408.479 3.316 0 40 HGAB COc1ccc(C(=O)[C@H](C)Sc2nnc(N(C(C)=O)C3CC3)s2)c(OC)c1 518130332 RQBHEUQRROWKEJ-JTQLQIEISA-N 407.517 3.434 0 40 HGAB C[C@H](CCc1n[nH]c2ccccc12)NCc1cccc(CN2CCC[C@@H](C(N)=O)C2)c1 543013626 DUXPEFOKKPLFDG-WIYYLYMNSA-N 419.573 3.371 0 40 HGAB Cn1cnc([C@@H]2C[C@@]3(CCCN(CC4CC4)C3=O)CN2C(=O)Cc2cccc(F)c2)c1 585106395 AAJJVECZAFGUIZ-URXFXBBRSA-N 424.520 3.094 0 40 HGAB CC(C)C(=O)N1CCCCCCCNCc2cc(C(=O)N3CCC(O)CC3)ccc21 643584118 UCUILKOVPWAODI-UHFFFAOYSA-N 415.578 3.326 0 40 HGAB N=c1nc(-c2c(F)cccc2CO)[nH]c(=NCc2ccc(Oc3ccccc3)cc2)[nH]1 1857550780 KKHDNAZPEMYUNO-UHFFFAOYSA-N 417.444 3.409 0 40 HGAB Cc1ccc(N(C[C@H](O)CN2CCC(C)CC2)S(=O)(=O)c2ccccc2)cc1 787213 VMXFBFCOTLUTJQ-OAQYLSRUSA-N 402.560 3.283 0 40 HGAB COc1ccccc1NC(=O)CSc1nc2sc3c(c2c(=O)n1C)CCC3 933378 MAPMXJLJFYESBB-UHFFFAOYSA-N 401.513 3.223 0 40 HGAB C[C@@H](OC(=O)CSCc1cccc(Cl)c1)C(=O)Nc1ccc(C(N)=O)cc1 3401408 ALPAUVYWEVUDPV-GFCCVEGCSA-N 406.891 3.243 0 40 HGAB O=C(COc1ccc(-n2cnnn2)cc1)Nc1ccc(OCc2ccccc2)cc1 3606374 RPYHMMFYSXCKOC-UHFFFAOYSA-N 401.426 3.259 0 40 HGAB CCC(=O)NC(Nc1sc2c(c1C(N)=O)CCCC2)(C(F)(F)F)C(F)(F)F 3669992 QJTUIJABQZVTNC-UHFFFAOYSA-N 417.375 3.485 0 40 HGAB CCOCCCNC(=S)N(Cc1cc2ccc(C)cc2[nH]c1=O)C[C@H]1CCCO1 4160770 IBXDTCJUHIPNFE-LJQANCHMSA-N 417.575 3.119 0 40 HGAB O=C(Cn1c(=O)n(-c2ccccc2)c(=O)c2oc3ccccc3c21)NC1CCCCC1 4358990 BAPQVPCXKFBYBM-UHFFFAOYSA-N 417.465 3.348 0 40 HGAB C[C@H](NC(=O)CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O)c1cccc(Cl)c1 4469045 VDKDKLBTAUMXNX-RCDICMHDSA-N 411.889 3.301 0 40 HGAB C[C@@H](NC(=O)CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O)c1cccc(Cl)c1 4469046 VDKDKLBTAUMXNX-JLCFBVMHSA-N 411.889 3.301 0 40 HGAB COCCN(C(=O)Cc1ccccc1OC)c1nnc(-c2ccc(OC)cc2)s1 4881063 SGYFHUOLFONVKU-UHFFFAOYSA-N 413.499 3.444 0 40 HGAB Cc1c(C)n2c3c(=O)n(Cc4ccc(F)cc4)c(=O)n(C)c3nc2n1C1CCCC1 4945218 FBQZGRRGQMJDSW-UHFFFAOYSA-N 409.465 3.069 0 40 HGAB COc1cc([C@H]2c3cc4c(cc3O[C@H](OC(C)=O)[C@H]2C)OCO4)cc(OC)c1OC 5759206 MNYOZBKWYSFDMB-BURQETMVSA-N 416.426 3.491 0 40 HGAB Cc1nnc(SCC(=O)NCC(=O)Nc2ccc(F)cc2)n1C1CCCCC1 5866331 NIZXTGMFCAMPOG-UHFFFAOYSA-N 405.499 3.078 0 40 HGAB CCn1c(CC(=O)Nc2ccccc2)nnc1SCC(=O)Nc1ccc(F)cc1 6356588 UUALNHBVLRWODZ-UHFFFAOYSA-N 413.478 3.349 0 40 HGAB CCCOc1ccccc1C(=O)N(Cc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 6811006 UDXVACMJLHZHHK-GOSISDBHSA-N 405.491 3.444 0 40 HGAB O=C(NC(=S)Nc1c(Cl)ccc2nsnc12)c1ccc2nsnc2c1 8072184 NESZLDKPBOWWKY-UHFFFAOYSA-N 406.905 3.476 0 40 HGAB NC(=O)c1ccc(N[C@H]2CC(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc1 8194685 XCGKCISMUVRDNP-ZDUSSCGKSA-N 411.767 3.202 0 40 HGAB CC(C)(C)C(=O)NCc1ccc(C(=O)Cn2cc(C(F)(F)F)ccc2=O)s1 8429557 JQZILEOXFCMBMK-UHFFFAOYSA-N 400.422 3.474 0 40 HGAB COc1ccc2c(C)c(CC(=O)N3CCN(c4ccccc4F)CC3)c(=O)oc2c1 9304622 UIWZTDXAWMFGFR-UHFFFAOYSA-N 410.445 3.140 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC(C(=O)OC/C=C/c3ccccc3)CC2)cc1 9392617 XVGUVEUIBSZNJT-VMPITWQZSA-N 415.511 3.353 0 40 HGAB Cn1c(=O)n(C/C=C/c2ccccc2)c(=O)c2c1nc1n2CCCN1C1CCCCC1 9446458 AXANUCKSDMEJSN-XYOKQWHBSA-N 419.529 3.153 0 40 HGAB COc1cccc(N2C[C@@H](C(=O)Nc3nnc(CCc4ccccc4)s3)CC2=O)c1 9614746 NVIVJMNBSMGMIB-INIZCTEOSA-N 422.510 3.324 0 40 HGAB O=S(=O)(Nc1cc(Cl)ccc1N1CCOCC1)c1ccc2c(c1)OCCCO2 9737886 OBUYZAMYDFEEDS-UHFFFAOYSA-N 424.906 3.139 0 40 HGAB COc1cn(CC(=O)Nc2cccc(Cl)c2)c(CSc2ncccn2)cc1=O 10254893 IZILVFQMSIORFH-UHFFFAOYSA-N 416.890 3.231 0 40 HGAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(NS(C)(=O)=O)c(C)c1 10335838 SVBWBGLDYLGGDS-CQSZACIVSA-N 403.504 3.147 0 40 HGAB Cc1cccc(-n2ncc3c(=O)n4c(nc32)SC[C@H]4CC(=O)Nc2nccs2)c1 11613387 PKNOCZSAQXNCCV-CYBMUJFWSA-N 424.511 3.023 0 40 HGAB Cc1cc(S(=O)(=O)N2CCN(c3ccc(-c4cccs4)nn3)CC2)ccc1F 12443591 MBQYLLQOEUIFGN-UHFFFAOYSA-N 418.519 3.164 0 40 HGAB Cc1ccc(C(=O)OCCCc2cccnc2)cc1S(=O)(=O)N1CCCCC1 12607023 RMFTZDKKTQIOAQ-UHFFFAOYSA-N 402.516 3.354 0 40 HGAB CCCCc1noc(CSc2nnc(N3CCOCC3)n2-c2cccc(F)c2)n1 12645387 PFLKWWFSPKPZRQ-UHFFFAOYSA-N 418.498 3.261 0 40 HGAB COC(=O)C1(NC(=O)CCCN2C(=O)c3cccc4cccc(c34)C2=O)CCCCC1 12748516 IGRQNGZRXWUOPO-UHFFFAOYSA-N 422.481 3.208 0 40 HGAB CC(C)OCCCNC(=O)CSc1ccccc1C(=O)OCC(=O)C(C)(C)C 12750484 QVHPJOHUZZAGSP-UHFFFAOYSA-N 409.548 3.482 0 40 HGAB NC(=O)COC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccccc1Cl 12771902 VRKSVHOFYRGUEP-UHFFFAOYSA-N 420.856 3.442 0 40 HGAB COc1ccc([C@H]2CCCCCN2CC(=O)N2CCN(c3ccccn3)CC2)cc1 12912273 OVLKRBIZQIAQOJ-JOCHJYFZSA-N 408.546 3.356 0 40 HGAB OCCCNC(=S)Nc1ccc2nc(-c3ccccn3)c(-c3ccccn3)nc2c1 13471408 UNVAUHSUDIBWNW-UHFFFAOYSA-N 416.510 3.423 0 40 HGAB CC(C)N1C(=O)[C@H](NC(=O)C(=O)NCc2ccc(Cl)cc2Cl)c2ccccc21 13628481 HZBQPVFZDWMHFD-QGZVFWFLSA-N 420.296 3.222 0 40 HGAB CCC[C@@H](C)NC(=O)[C@@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1 13682291 WIBBEVGMMATGCI-UZLBHIALSA-N 402.516 3.089 0 40 HGAB Cc1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H]([C@@H]1CCCN(C(=O)C[C@@H]3CCCO3)C1)N2 19127669 PZBZPFUKEYBMTQ-FXUDXRNXSA-N 400.445 3.287 0 40 HGAB Cc1cnc(C(=O)N2CCC[C@H](c3nc(N(C)C)ncc3-c3ccccc3F)C2)cn1 19694050 SVWHFZBKYHFAGI-INIZCTEOSA-N 420.492 3.467 0 40 HGAB Cc1ncc(C(=O)NCc2ccccc2)c([C@@H]2CCCCN2C(=O)COC(C)C)n1 19766913 IRGAYCHNKZPRAX-FQEVSTJZSA-N 410.518 3.194 0 40 HGAB O=C(CSc1nnc(Cc2cccc(Br)c2)c(=O)[nH]1)c1ccccc1 19897645 FWHYJACHYGZWSJ-UHFFFAOYSA-N 416.300 3.493 0 40 HGAB CC(C)(C)n1nnnc1[C@@H](c1ccc(F)cc1)N1CCN(Cc2ccccc2)CC1 20139353 HLVODGRVQPQZJX-OAQYLSRUSA-N 408.525 3.474 0 40 HGAB Cc1ccc(-c2csc(NC(=O)CSc3nnc(C(F)(F)F)n3N)n2)cc1 20817771 XEKOYVZEEBJKQL-UHFFFAOYSA-N 414.438 3.173 0 40 HGAB C[C@H](C(=O)N[C@@H]1CCCc2ccccc21)N1CCN(Cc2ccc3c(c2)OCO3)CC1 22039675 KOYUNFXSWDKDDZ-XMSQKQJNSA-N 421.541 3.115 0 40 HGAB CCc1ccccc1NC(=O)CN1CCN(Cc2nc(-c3ccccc3C)no2)CC1 22932507 ARMSMBMIACMWPJ-UHFFFAOYSA-N 419.529 3.364 0 40 HGAB CC(C)(C)c1ccc(S(=O)(=O)NCc2ccccc2CN2CCOCC2)cc1 24257813 SUSKPUXMZCFBLW-UHFFFAOYSA-N 402.560 3.295 0 40 HGAB CC(=O)c1cccc(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)CCCC3)c1 24750183 KXQGDSDCWJKJBK-UHFFFAOYSA-N 400.500 3.075 0 40 HGAB COc1ccc(OC(=O)CCCN2C(=O)c3ccc(Br)cc3C2=O)cc1 25130170 ODVKIYFSPRHZHV-UHFFFAOYSA-N 418.243 3.440 0 40 HGAB COc1ccccc1N1CCN(C[C@@H](O)COc2ccccc2Br)CC1 26781833 MHVPGFOINPXFDO-MRXNPFEDSA-N 421.335 3.020 0 40 HGAB COc1cc(C(=O)OCC(=O)NC(=O)Nc2ccc(C)cc2C)cc2c1O[C@@H](C)C2 31323252 RSTPRTVTZUDINP-AWEZNQCLSA-N 412.442 3.141 0 40 HGAB Cc1cccc(NC(=O)CSCC(=O)Nc2nc(C)c(-c3nccn3C)s2)c1 32894975 ACJWJBPMXLKFBO-UHFFFAOYSA-N 415.544 3.471 0 40 HGAB CN(C(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1)[C@H]1CCCc2ccccc21 32969006 ANANSRWYZJCIOI-NRFANRHFSA-N 413.543 3.018 0 40 HGAB COc1ccc([C@H](CNC(=O)c2cccc3c2O[C@@H](C)[C@@H]3C)N2CCOCC2)cc1 37224407 ASOAMRLFVVVEDX-HOIFWPIMSA-N 410.514 3.383 0 40 HGAB COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)[C@@H](C)Oc1ccccc1C 44900930 GTBLJLXQQMTVMA-OAHLLOKOSA-N 406.504 3.096 0 40 HGAB O=S(=O)(NCc1ccc(Cn2ccnc2)cc1)c1cccc(Br)c1 54534186 RSJOSCJLLRJRCX-UHFFFAOYSA-N 406.305 3.172 0 40 HGAB CCCC(=O)N1CCN(c2ccc(NC(=O)c3ccc4nsnc4c3)cc2)CC1 57313882 WYLRHAWNYYRPEW-UHFFFAOYSA-N 409.515 3.392 0 40 HGAB O=C(COC(=O)C1(c2cccc(Br)c2)CCOCC1)N1CCCCCC1 62395870 PIFVJGQKBMDKMK-UHFFFAOYSA-N 424.335 3.443 0 40 HGAB C[C@@H](c1ncnc(Cl)c1F)[C@@](O)(Cn1cnc(Cl)n1)c1ccc(F)cc1F 71623865 OSKASUIBSJCIHI-PWJLMRLQSA-N 418.206 3.484 0 40 HGAB COc1cc(CN2CCC3(CC2)Nc2ccccc2C2=NCCN23)cc(OC)c1OC 72327092 PAQJYZAUPJSJMN-UHFFFAOYSA-N 422.529 3.192 0 40 HGAB COc1cc(Cl)c(C)cc1NC(=O)Cn1c(=O)n(C(C)C)c(=O)c2ccccc21 90610112 PTZOCAUCKSZHSN-UHFFFAOYSA-N 415.877 3.353 0 40 HGAB CC(C)[C@@H](C(=O)NCc1nc2ccccc2n1C(C)C)n1nnc2ccccc2c1=O 95472271 IUMOEAROMSRJGC-NRFANRHFSA-N 418.501 3.236 0 40 HGAB Cc1cccc(CSc2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2cccc(C)c2)c1 96306375 ASDADGXXOPPXPK-UHFFFAOYSA-N 406.511 3.381 0 40 HGAB COc1ccccc1-c1cc2ncc3c(n2n1)C[C@H]1CC[C@H]3N1Cc1ccnn1C 100724225 JQQPKKKGJQGHFJ-FOIQADDNSA-N 400.486 3.400 0 40 HGAB COC(=O)C1=C(C)Nc2nc(SCc3ccccc3)[nH]c(=O)c2[C@H]1c1cccnc1 100821747 PIDMLZYQPPLLEY-KRWDZBQOSA-N 420.494 3.462 0 40 HGAB COc1ccc(-c2nn([C@@H]3CC(=O)[C@@H]4OC[C@@H]3O4)c(=S)n2-c2ccccc2)cc1 101624678 CCQGEQHRADNQBZ-IMFGXOCKSA-N 409.467 3.334 0 40 HGAB CCCCNC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1cc(C)ccc1OC 107962864 JAYPHRYDIAAFGZ-UHFFFAOYSA-N 420.531 3.124 0 40 HGAB CCOC(=O)c1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)OC)C3=O)o2)cc1 205751876 WJUHLMVAEJCGPD-MHWRWJLKSA-N 415.423 3.333 0 40 HGAB C[C@@H](C(=O)NCc1ccc2ccccc2c1)N(c1cccc(F)c1)S(C)(=O)=O 222807602 HZSLYKKMEROGGL-HNNXBMFYSA-N 400.475 3.450 0 40 HGAB C[C@H](C(=O)NCCSC1CCCC1)N(c1cccc(Cl)c1)S(C)(=O)=O 223309616 VQHNGNIISBWMIC-CYBMUJFWSA-N 404.985 3.287 0 40 HGAB Cc1cc(C)cc(OCCNC(=O)c2ccc(CS(=O)(=O)N3CCCC3)cc2)c1 224098078 WAXPPPBHWNASKJ-UHFFFAOYSA-N 416.543 3.038 0 40 HGAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)COc1cc(OC)cc(OC)c1 224657184 OCERJAAFKAJUSQ-QGZVFWFLSA-N 414.502 3.026 0 40 HGAB COc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(OC3CCCC3)cc2)cc1F 225119488 WZXVDQFTBDBUEU-UHFFFAOYSA-N 423.462 3.436 0 40 HGAB CCOC(=O)CN(c1ccc(Br)cc1F)S(=O)(=O)c1cccs1 225138618 SYHCDDINCVPSBG-UHFFFAOYSA-N 422.297 3.408 0 40 HGAB CC(C)C(=O)NC(=S)Nc1c(Br)cc(C(=O)O)cc1Br 226354695 SSBOTSXMXSTCCL-UHFFFAOYSA-N 424.114 3.379 0 40 HGAB Cn1cnc(S(=O)(=O)N2CCCC[C@H]2c2ncc(Cc3cccc(F)c3)o2)c1 257248601 JEJWJHRKBGEPEL-KRWDZBQOSA-N 404.467 3.054 0 40 HGAB Cc1cc(Nc2nccs2)cc([C@@H]2CCN(S(=O)(=O)c3c(C)noc3C)C2)n1 257286519 PLWWGHOGLBKBTJ-CQSZACIVSA-N 419.532 3.373 0 40 HGAB CC(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)CN(C)Cc1ccccc1F 257312396 UNTKKFACPXVDSK-DEXHYYOUSA-N 401.526 3.038 0 40 HGAB O=C(NS(=O)(=O)c1ccccc1C(F)(F)F)c1cccc(Cn2cccn2)c1 257324081 WNBHJTYVZLQEIM-UHFFFAOYSA-N 409.389 3.069 0 40 HGAB O=C1N(c2ccccn2)C[C@@]2(F)CN(Cc3cccc(-c4cccs4)n3)C[C@@]12F 306131637 KKUOHMGLUNBKAB-LEWJYISDSA-N 412.465 3.484 0 40 HGAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2cccc(Cl)c2)cc1Cl 408553199 OXURAFFSUPYYNT-SNVBAGLBSA-N 403.287 3.308 0 40 HGAB CCC[C@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccc(OCC)c(Cl)c2)CC1 408584649 SNWWOKYPUJIFMW-AWEZNQCLSA-N 416.971 3.444 0 40 HGAB CCOc1ccc(S(=O)(=O)N(CC(=O)NCCC(C)C)Cc2ccccc2)cc1 408617588 BVIABMFXOKXDSB-UHFFFAOYSA-N 418.559 3.439 0 40 HGAB Cc1ccc(C)c(N(CCCC(=O)NCCSCc2ccco2)S(C)(=O)=O)c1 408705499 HCYKLLZPHLNWIL-UHFFFAOYSA-N 424.588 3.492 0 40 HGAB CC(=O)Nc1cc(S(=O)(=O)NCc2ccc3c(c2)nc(C2CC2)n3C)ccc1F 550428189 BKBPEWXZJYTQAG-UHFFFAOYSA-N 416.478 3.027 0 40 HGAB Cc1c(C(=O)N2CCn3cc(CC(=O)NC4CCC4)nc3[C@H]2C)oc2ccccc12 585098651 WCDLBMFUVIPOLB-OAHLLOKOSA-N 406.486 3.366 0 40 HGAB COCCN(C[C@@H]1CC2(CCN(C(=O)c3cc(C)ccc3O)CC2)CO1)C(C)C 585103756 IXODWEODOPNORX-IBGZPJMESA-N 404.551 3.069 0 40 HGAB COc1cc2c(N3CCC[C@@H]4[C@H](NC(=O)C(F)F)C(C)(C)[C@H]43)ncnc2cc1F 585137902 ZJAJDTJEDNYDRU-VFVAKGGASA-N 408.424 3.152 0 40 HGAB O=C(CC1(N2Cc3ccccc3C2=O)CCCCC1)NC1CCN(C(=O)C2CC2)CC1 1548349120 ZFQHVCNFKLIDOZ-UHFFFAOYSA-N 423.557 3.253 0 40 HGAB COc1ccc(N(CCC(N)=O)C(=O)Nc2nc3c(OC)cccc3s2)cc1 1615610929 RLHYPRZKFPPGDW-UHFFFAOYSA-N 400.460 3.227 0 40 HGAB O=C(NC(=S)Nc1ccccc1N1CCOCC1)c1ccccc1Br 679038 JNJTWSSSLBHIGR-UHFFFAOYSA-N 420.332 3.413 0 40 HGAB CCOC(=O)COc1c(Br)cc(/C=C2\N=C(C)OC2=O)cc1OCC 679183 RXPRBBJRKZHWQB-QPEQYQDCSA-N 412.236 3.106 0 40 HGAB COC(=O)CSc1nnc(CNc2ccc(OC)cc2)n1-c1ccc(OC)cc1 925397 VNZLWTBBIXHNKI-UHFFFAOYSA-N 414.487 3.162 0 40 HGAB C[C@H]1Cc2cc(-c3csc(NC(=O)c4ccco4)n3)ccc2N1S(C)(=O)=O 1366001 YAMCRDFRXFRVPU-NSHDSACASA-N 403.485 3.366 0 40 HGAB COCCN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc(Cl)cc2)C1=O 2102941 SQJIYSHGLGXDMO-SIKLNZKXSA-N 423.900 3.153 0 40 HGAB biogenic C[C@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)Nc2ccc(F)c(F)c2F)C1=O 2619726 LTGNUBCYQNZAHX-GOSISDBHSA-N 411.767 3.163 0 40 HGAB COc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)N2CCOCC2)cc1OC 3225028 HLNQMGCBKHBAGN-PKNBQFBNSA-N 419.481 3.429 0 40 HGAB CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)OCC(=O)N1c2ccccc2C[C@@H]1C 3240186 OWQUXOXDZGERBL-BTYIYWSLSA-N 412.461 3.101 0 40 HGAB CCN(C(=O)COC(=O)CNC(=O)c1ccccc1F)c1cccc2ccccc12 3303893 RZLYIPLDUAOGTD-UHFFFAOYSA-N 408.429 3.305 0 40 HGAB CCS(=O)(=O)N1CC(=O)Nc2ccc(Br)cc2[C@@H]1c1ccccc1 3656785 CMQBZIUYENCEJD-KRWDZBQOSA-N 409.305 3.142 0 40 HGAB O=C(CSc1ccc2nnc(-c3cccc(F)c3)n2n1)NCc1ccc(F)cc1 4164581 JNALAMIRKVUPDP-UHFFFAOYSA-N 411.437 3.478 0 40 HGAB COc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)CSc2nncn2C)cc1 4263096 SUZTVLRQUVZQNG-INIZCTEOSA-N 413.528 3.355 0 40 HGAB CC[C@@H](Sc1nc(N)cc(=O)[nH]1)C(=O)Nc1nc(-c2ccccc2)c(C)s1 4911117 PUZFFICWDJOMIG-GFCCVEGCSA-N 401.517 3.293 0 40 HGAB CC(C)Cn1c(=O)c2ccccc2n2c(SCC(=O)N3CCCCCC3)nnc12 4919814 DFUIKVOGAWSLKT-UHFFFAOYSA-N 413.547 3.195 0 40 HGAB O=C([C@@H]1COc2ccccc2O1)N1CCN(c2nc3ccc(Cl)cc3s2)CC1 5181261 JPODDLDJFWZBLO-KRWDZBQOSA-N 415.902 3.438 0 40 HGAB COc1ccccc1C[C@@]1(C)NC(=O)N(CC(=O)c2cc(C)n(C3CC3)c2C)C1=O 5224457 MFAFJQKHTMDAED-HSZRJFAPSA-N 409.486 3.184 0 40 HGAB CCOCCCNC(=O)COc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1C 6023958 WDPRFRVOCZMHJO-UHFFFAOYSA-N 420.531 3.026 0 40 HGAB CCOc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2OC)cc1OC 6052734 YINZPDZXVLLDJD-FQEVSTJZSA-N 411.458 3.369 0 40 HGAB COc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)cn1 6209624 BSQYYACLPDUEJZ-UHFFFAOYSA-N 409.467 3.094 0 40 HGAB CCOc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)CC)c2ccc(F)cc2)cc1 6224548 ZEMZDORHRXLOHL-HNNXBMFYSA-N 408.495 3.334 0 40 HGAB COc1ccc(C)cc1S(=O)(=O)N1CCC[C@H](C(=O)NC2CCCCCC2)C1 6426401 KHIWETKQYREOOC-KRWDZBQOSA-N 408.564 3.243 0 40 HGAB C[C@@H]1CCc2sc(C(=O)Nc3cccc(S(=O)(=O)N4CCOCC4)c3)cc2C1 6625802 ZSZKRYLYMYKSOU-CQSZACIVSA-N 420.556 3.146 0 40 HGAB Cc1cc(=O)oc2cc(O[C@H](C)C(=O)NC[C@@H](O)c3ccccc3)c(Cl)cc12 6659533 SRLHQVPRZXJXJR-CXAGYDPISA-N 401.846 3.372 0 40 HGAB COc1ccc(OC)c([C@H]2CCCN2CC(=O)N2CCN(c3ccccc3)CC2)c1 7246045 URKFBDHTLZXFAP-JOCHJYFZSA-N 409.530 3.190 0 40 HGAB O=C(Cn1nnc(-c2ccccc2)n1)N1CCC[C@@H](c2nc3ccccc3s2)C1 7279662 CIUICGTUVRWWLA-MRXNPFEDSA-N 404.499 3.356 0 40 HGAB Cc1ccc(-c2nnn(CC(=O)O[C@@H](C)C(=O)c3c(C)[nH]c4ccccc34)n2)cc1 7711423 FPMKOFYADLNIDZ-HNNXBMFYSA-N 403.442 3.253 0 40 HGAB O=C(N[C@H]1CCSc2ccccc21)c1ccc(S(=O)(=O)N2CCCC2)cc1 7974311 QCPDTBZXLYMQKM-SFHVURJKSA-N 402.541 3.438 0 40 HGAB CCn1c(CNC(=O)c2ccccc2C)nn(CC(=O)NC2CCCCC2)c1=S 8089946 LNUORWBPXQFTIB-UHFFFAOYSA-N 415.563 3.121 0 40 HGAB CCC1CCC2(CC1)NC(=O)N(CC(=O)N1CCS[C@H]1c1ccccc1F)C2=O 8352612 PIOQNSAOYXXBAL-UARVQCNDSA-N 419.522 3.291 0 40 HGAB C[C@@H]1CC[C@@H]2C(=O)N(c3ccc(C(=O)OCC(=O)Nc4ccccc4)cc3)C(=O)[C@@H]2C1 8411198 RKGULWZIIMNQFI-UIAACRFSSA-N 420.465 3.408 0 40 HGAB O=S(=O)(c1ccccc1C(F)(F)F)N1CCN(c2nc3ccccc3o2)CC1 8660440 JDXPANXSHGQYJW-UHFFFAOYSA-N 411.405 3.358 0 40 HGAB CCC1(CC)NC(=O)N(CC(=O)N2CCc3sccc3[C@H]2c2cccs2)C1=O 8755752 UQOSBKIRRKFMRH-KRWDZBQOSA-N 417.556 3.394 0 40 HGAB Cc1cccc(NC(=O)CSc2nnc(-c3cc(-c4ccccc4)n[nH]3)n2N)c1C 9089173 YHXAURUEFAIVSS-UHFFFAOYSA-N 419.514 3.397 0 40 HGAB CCOc1ccc(N2C(=O)/C(=C/c3cc(OC)c(OC)c(OC)c3)NC2=S)cc1 9189175 IHRROBBFGDEQEC-YBEGLDIGSA-N 414.483 3.373 0 40 HGAB CCSc1nc(N2CCCCC2)c2cnn(CCNC(=O)c3cccs3)c2n1 9522616 ANGIUZZJRWENHE-UHFFFAOYSA-N 416.576 3.420 0 40 HGAB O=C(O[C@@H](C(=O)NC1CC1)c1ccccc1)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 11063024 MRNKWIAVPIMVFF-GHTZIAJQSA-N 424.472 3.241 0 40 HGAB CCCCCn1c(=O)c2c(nc3n2C[C@@H](C)CN3c2cc(C)cc(C)c2)n(C)c1=O 12374059 ZSDYRLQGJXXBOC-KRWDZBQOSA-N 409.534 3.492 0 40 HGAB CN(C)S(=O)(=O)c1ccc(SC[C@H](O)COc2ccccc2C(C)(C)C)nc1 12550760 FIKJFFOPAPVZIB-OAHLLOKOSA-N 424.588 3.161 0 40 HGAB Cc1occc1-c1nc(N2CCCCC2)ncc1-c1ccnc(N2CCOCC2)n1 12667870 GYNNOBKMONNKHR-UHFFFAOYSA-N 406.490 3.329 0 40 HGAB COC(=O)CCn1c(S[C@H](C)c2nc(C(C)(C)C)no2)nc2ccccc2c1=O 12857126 GSJDXFRHDLHGTG-GFCCVEGCSA-N 416.503 3.493 0 40 HGAB CNC(=O)c1ccc(CN(C)Cn2ncn(CCc3cccs3)c2=S)cc1 12913825 DXIGTOAMICUFDD-UHFFFAOYSA-N 401.561 3.167 0 40 HGAB CCOc1ccccc1CCCNC(=O)CN(c1ccccc1CC)S(C)(=O)=O 13612145 XHHGSKDUWBTEAC-UHFFFAOYSA-N 418.559 3.163 0 40 HGAB COc1ccc(Cc2nnc(SCC(=O)Nc3nnc(C(C)C)s3)n2C)cc1 13956316 YNQNWTRQBMRYDF-UHFFFAOYSA-N 418.548 3.120 0 40 HGAB O=C(c1ccc2c(c1)OCCO2)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1 14630122 UKUWGWUEAJHQIK-UHFFFAOYSA-N 414.330 3.116 0 40 HGAB COc1cc([C@@H]2[C@H]3CCCC[C@@]3(O)CCN2CC(=O)N2CCCCC2)ccc1O 16031701 WTNJGYFYMAQZAK-SXSPYAJSSA-N 402.535 3.081 0 40 HGAB biogenic CC(=O)N1CCN(c2ccccc2NC(=S)NC(=O)c2ccccc2Cl)CC1 17090906 ZJUDUXYVFGKDLJ-UHFFFAOYSA-N 416.934 3.135 0 40 HGAB Cc1ccc(O[C@H](C)C(=O)N2CCC[C@H]([C@@H]3C[C@H](C(F)F)n4ncnc4N3)C2)cc1 19210854 CUVMCDGFEXOEQU-MXSMSXNCSA-N 419.476 3.283 0 40 HGAB Cc1cccc2c(C[C@H](C)NC(=O)CN3C(=O)[C@H]4CC[C@@](C)(C3=O)C4(C)C)c[nH]c12 19236618 WJRFALKMKVAIQJ-MBSHLRGSSA-N 409.530 3.335 0 40 HGAB CCc1nn(C)c(C(=O)N[C@@H](Cc2cc(=O)[nH]c(C3CCC3)n2)c2ccccc2)c1C 19521041 NZSSHTFFEXZMFY-FQEVSTJZSA-N 419.529 3.356 0 40 HGAB Cc1ccc(OCCN2CCOCC2)c(NC(=O)c2cc(C)nc3onc(C)c23)c1 19715829 BCHGQPOTCINHOH-UHFFFAOYSA-N 410.474 3.111 0 40 HGAB Cc1cc(C)n(CC(=O)N2CCC[C@@H](N(C)C(=O)c3nccc4ccccc34)CC2)n1 19749715 ODUCFAFARVICFE-HXUWFJFHSA-N 419.529 3.201 0 40 HGAB CC(=O)N(C)Cc1cc(N(C)C)nc([C@@H]2CCCN2C(=O)CCC2CCCC2)n1 19760868 MPMCNGPBJSJFDM-IBGZPJMESA-N 401.555 3.155 0 40 HGAB Cc1cc(NC(=S)NC(=O)c2ccccc2Br)cc(C(=O)O)c1O 20151761 IICKPUNNVBHBCX-UHFFFAOYSA-N 409.261 3.288 0 40 HGAB COCCCNC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(C)cc1 22275696 GSPGFTGYOBHSQY-UHFFFAOYSA-N 418.559 3.466 0 40 HGAB Cc1ccc([C@H](O)CN2CCN([C@@H](c3ccccc3)c3nccn3C)CC2)c(C)c1 22887481 NXLLLTKHHCAZIL-RPWUZVMVSA-N 404.558 3.478 0 40 HGAB Cc1cccc(C)c1NC(=O)CN1CCN([C@H](C)C(=O)N[C@@H](C)c2ccccc2)CC1 22928900 PANHQWMOSYVCBO-LEWJYISDSA-N 422.573 3.125 0 40 HGAB CCN(CC)S(=O)(=O)c1cccc(C2=N/C(=C\c3ccc(C)s3)C(=O)O2)c1 24926504 FIKWWHDDJUNPRP-ATVHPVEESA-N 404.513 3.432 0 40 HGAB CN(CC(=O)NCC1(c2ccccc2)CCCCC1)S(=O)(=O)c1ccc(F)cc1 25250830 WOCZSRZUEXTFNU-UHFFFAOYSA-N 418.534 3.465 0 40 HGAB COc1ccc(CNC(=O)NC[C@@H](c2ccccc2Cl)N2CCOCC2)cc1 31661952 HKYBFDJAKVWGHU-FQEVSTJZSA-N 403.910 3.221 0 40 HGAB Cc1cc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)c(C)n1Cc1ccccn1 32682698 DRVFNBFIMSGVDF-UHFFFAOYSA-N 402.498 3.146 0 40 HGAB CC(=O)N1CCc2cc(C(=O)[C@@H](C)OC(=O)c3cc(-c4ccccc4)[nH]n3)ccc21 32837671 DYESYWOLLIDYEJ-CQSZACIVSA-N 403.438 3.414 0 40 HGAB COCc1nnc(NC(=O)Cc2csc(-c3ccc(OC)c(OC)c3)n2)s1 36358396 FJOKEUAAUSNFJK-UHFFFAOYSA-N 406.489 3.006 0 40 HGAB COc1cc(NC(=O)Cc2ccc(Br)cc2)c(C(=O)N(C)C)cc1OC 40082422 OYSGBZDQKGEFFP-UHFFFAOYSA-N 421.291 3.349 0 40 HGAB COc1cc(OC)cc([C@@H]2c3[nH]cnc3CCN2C(=O)Nc2ccccc2C(=O)O)c1 40309594 MVSCJKXYSXVYJS-HXUWFJFHSA-N 422.441 3.305 0 40 HGAB biogenic CCCNc1nnc(S(=O)(=O)Cc2csc(-c3ccccc3OC)n2)s1 61041713 OKMOIPSQMWPRKN-UHFFFAOYSA-N 410.546 3.466 0 40 HGAB CN(C)C[C@H](CNC(=O)Nc1cc2c(cc1Cl)OCCO2)[C@H](O)c1ccccc1 65479319 BPDDWYHHXDCHAE-MGPUTAFESA-N 419.909 3.144 0 40 HGAB Cc1c(-c2ccccc2)oc2c(C(=O)N[C@]3(C)CCS(=O)(=O)C3)cccc2c1=O 69084079 BAOGKJICASNLHK-JOCHJYFZSA-N 411.479 3.075 0 40 HGAB Cc1ccc(NC(=O)C(=O)NCC2CCN(c3nc4ccccc4o3)CC2)cc1F 70900892 KCMHXQPDCBSJBC-UHFFFAOYSA-N 410.449 3.247 0 40 HGAB CCOc1cccc(CNC(=O)c2cn(-c3ccc(-c4nc(CC)no4)cn3)cn2)c1 71768340 IARBWLSSQMLIHG-UHFFFAOYSA-N 418.457 3.208 0 40 HGAB COc1ccccc1-c1ccc(=O)n(CN2CCN(C/C=C/c3ccccc3)CC2)n1 79488981 HJMVZOOUVNFSST-JXMROGBWSA-N 416.525 3.207 0 40 HGAB Cc1cc2ncc3c(n2n1)C[C@H]1CC[C@H]3N1Cc1cn(CCC(N)=O)c2ccccc12 100141153 BHKDRVLGBUCDJK-DYESRHJHSA-N 414.513 3.130 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C)[C@H]3C[C@H]4CC[C@H]3C4)CC2)cc1 105871069 OLIFGTDZBJVJSZ-JIYIMXKPSA-N 420.575 3.037 0 40 HGAB Cc1ccc(C)c(NC(=O)CCCN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)c1 113965959 CSUCEKVJMKCVSD-UHFFFAOYSA-N 418.515 3.260 0 40 HGAB COC(=O)[C@H]1C[C@H](Oc2ccccc2F)CN1C(=O)Cc1c(F)cccc1Cl 206800937 VEVRKPAPLYXBLO-YVEFUNNKSA-N 409.816 3.382 0 40 HGAB CCc1ccc(OCC(=O)N(C)Cc2nc(-c3ccc(OC)cc3OC)no2)cc1 218958040 RNAXLBJIWMUTDN-UHFFFAOYSA-N 411.458 3.354 0 40 HGAB CN(CCCC(=O)NCCCc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 219721102 DJDWPAPBLKTOBJ-UHFFFAOYSA-N 408.951 3.490 0 40 HGAB Cc1ccc(SCCNC(=O)[C@@H](C)N(c2cccc(C)c2)S(C)(=O)=O)cc1 220121554 VLPKTAWIOCRQJB-QGZVFWFLSA-N 406.573 3.366 0 40 HGAB CCc1ccc(N([C@H](C)C(=O)N[C@@H](C)c2ccc(OC)cc2)S(C)(=O)=O)cc1 220287933 UVPJGVSWJQFBON-JKSUJKDBSA-N 404.532 3.290 0 40 HGAB CC[C@@H](C(=O)NCCCc1cccc(C)c1)N(c1ccc(OC)cc1)S(C)(=O)=O 220653915 DQXZNTLCKRPPSR-NRFANRHFSA-N 418.559 3.297 0 40 HGAB Cc1ccc(N(CC(=O)Nc2nnc(-c3ccccc3)s2)S(C)(=O)=O)cc1C 223129343 CFPQQWUYLPFMJI-UHFFFAOYSA-N 416.528 3.227 0 40 HGAB S=C1N[C@@H](c2ccccn2)[C@H](c2ccc(Cl)s2)N1CCCN1CCOCC1 223168465 AGPJBCYIJMZNCQ-ROUUACIJSA-N 423.007 3.491 0 40 HGAB O=C(NCCSC1CCCC1)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 223424791 SBZJSTDUJIUVFM-QGZVFWFLSA-N 416.996 3.285 0 40 HGAB COc1ccc(-c2noc(CNS(=O)(=O)c3ccc(OC)c(C(C)C)c3)n2)cc1 223773303 GFNGFGBEOIMQMK-UHFFFAOYSA-N 417.487 3.356 0 40 HGAB CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCCc1ccc(C)cc1 225572909 FZQVHVZOMFJTHC-NRFANRHFSA-N 418.559 3.297 0 40 HGAB Cn1ccc2cc([C@@H](O)CNS(=O)(=O)c3ccc(Br)s3)ccc21 239611717 FBPWALUZTVZWLY-ZDUSSCGKSA-N 415.334 3.014 0 40 HGAB Cn1nccc1C(=O)N1Cc2ccccc2-c2nc(NCc3cccnc3)ncc2C1 306125370 CNWQHXYTMQGRRK-UHFFFAOYSA-N 411.469 3.040 0 40 HGAB CC(C)N1CC2(CCN(Cc3ccncc3)CC2)COc2ccccc2S1(=O)=O 306135267 OMCGKTKBPVTMGN-UHFFFAOYSA-N 415.559 3.156 0 40 HGAB CCc1ncnc(O[C@H]2CCN(C(=O)c3sc(-n4cccc4)nc3C)C2)c1F 390827845 LBCNPBNFWGPUMH-ZDUSSCGKSA-N 401.467 3.027 0 40 HGAB CCOc1cc(CNc2cccc(C(=O)O)c2)cc(Br)c1OCC(N)=O 408609154 LWFIKGBSJRLBIC-UHFFFAOYSA-N 423.263 3.022 0 40 HGAB COc1ccc(C)cc1S(=O)(=O)N(CCc1ccccc1)CC(=O)NCC(C)C 408619506 IDLDFSYAYJHUSW-UHFFFAOYSA-N 418.559 3.009 0 40 HGAB CCCNC(=O)[C@@H]1CC(=O)N(c2ccc(OCC(=O)Nc3ccc(CC)cc3)cc2)C1 409123924 FXBGIAFAMWDLMC-GOSISDBHSA-N 423.513 3.146 0 40 HGAB C[C@H](Nc1cc(N[C@H](C)[C@H](O)Cc2ccccc2)ncn1)[C@@H](O)Cc1ccccc1 534179685 KTXSPVVZYOCFIB-VVIORFSUSA-N 406.530 3.285 0 40 HGAB Cc1ccccc1[C@H](OC[C@@H](O)CN[C@H]1CCC(=O)NC12CCC2)c1ccccc1 549118030 PVNPLZSTMPEWDK-ODGPQVTHSA-N 408.542 3.253 0 40 HGAB C[C@@H]1C[C@H](NC(=O)N2Cc3ccccc3-c3ccccc3C2)C(=O)N1c1cnn(C)c1 608733038 JAUUXHOIOXRZIF-ZHRRBRCNSA-N 415.497 3.306 0 40 HGAB Cn1nccc1C(=O)N1CCC[C@@]2(CCCCCOc3ccccc3C(=O)NC2)C1 643559509 MVPSEXANWHEPAQ-HSZRJFAPSA-N 410.518 3.025 0 40 HGAB CC(C)(C)c1nc2c(c(N3CCN(c4nccc(C(F)(F)F)n4)CC3)n1)CCC2 1888869688 OLDWCKNCENMRSU-UHFFFAOYSA-N 406.456 3.398 0 40 HGAB O=c1nc(N2CCOCC2)ccn1-c1nc(-c2ccccc2)oc1-c1ccccc1 625288 ZZMFSARZRHZNDQ-UHFFFAOYSA-N 400.438 3.391 0 40 HGAB Cc1ccc(C(=O)NC(=S)Nc2ccc(I)cn2)cc1C 679127 XVCLEPFMBBATLW-UHFFFAOYSA-N 411.268 3.430 0 40 HGAB Cn1c(=O)c2c(-c3ccccc3Cl)c3c(nc2n(C)c1=O)-c1ccccc1[C@@H]3O 780615 OYPQGBNMBCJIDF-IBGZPJMESA-N 405.841 3.015 0 40 HGAB Cc1nc2sc3c(c2c2nc(C(=O)NCCc4ccccc4)nn12)CC(C)(C)OC3 2204998 DHPFUEIJFNVMMY-UHFFFAOYSA-N 421.526 3.471 0 40 HGAB COc1cc(Cl)c(C)cc1NC(=O)CSc1nnc(-c2ccc(F)cc2)n1N 2220662 VGFZARFIGKGCGC-UHFFFAOYSA-N 421.885 3.499 0 40 HGAB COCCOC(=O)c1c(C)oc2ccc(OS(=O)(=O)c3ccc(OC)cc3)cc12 2330633 IIAYNSHRXDKBSA-UHFFFAOYSA-N 420.439 3.321 0 40 HGAB biogenic O=C(CSc1nc2c(c(=O)n1-c1ccc(Cl)cc1)SCC2)N1CCCC1 2459522 XJQUKQXYCHSJAZ-UHFFFAOYSA-N 407.948 3.249 0 40 HGAB Cc1ccc2nc(NC(=O)[C@@H]3CC(=O)N(c4ccc5c(c4)OCCO5)C3)sc2c1 2621584 CMDHOVVFJITBCS-CYBMUJFWSA-N 409.467 3.368 0 40 HGAB CCn1nc(C(F)(F)F)cc1C(=O)N(C)Cc1c(Br)cnn1CC 2732413 XHRXMMNYROVLOH-UHFFFAOYSA-N 408.222 3.173 0 40 HGAB O=C(NCc1ccccc1)C(=Cc1ccc2c(c1)OCO2)C(=O)NCc1ccccc1 3244251 QOIBHKHKYNKVDN-UHFFFAOYSA-N 414.461 3.432 0 40 HGAB COC(=O)c1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)c1 3559230 MMHQIMPHMXPPOJ-UHFFFAOYSA-N 416.499 3.209 0 40 HGAB CC(C)COc1ccc(C(=O)N/C(=C/c2ccccc2)C(=O)NCCCC(=O)O)cc1 4026390 VEJRUJMKGPRFQP-RCCKNPSSSA-N 424.497 3.473 0 40 HGAB biogenic CN(C[C@H]1CCCO1)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2Cl)cc1 4325598 QFHLRFMDJFPSQB-OAHLLOKOSA-N 408.907 3.392 0 40 HGAB Cc1ccn2c(=O)nc(SCC(=O)Nc3ccc(OC(F)(F)F)cc3)nc2c1 4503849 QOEGAXKQTSSNAO-UHFFFAOYSA-N 410.377 3.027 0 40 HGAB Cc1ccc(N(CC(=O)NCCC(C)C)C(=O)CCC(=O)Nc2nccs2)cc1 4848399 WBJFABZJDDOTSL-UHFFFAOYSA-N 416.547 3.366 0 40 HGAB CCOCCCNC(=O)c1c(N)n(-c2cccc(F)c2)c2nc3ccccc3nc12 5100853 PKIJIUSBULIWNN-UHFFFAOYSA-N 407.449 3.451 0 40 HGAB CCOc1ccc(N2C[C@@H](NC(=O)c3cccc(Br)c3)CC2=O)cc1 5195883 PTMFKUHLBTVSEK-HNNXBMFYSA-N 403.276 3.383 0 40 HGAB O=C(CSc1nc(=O)n(Cc2ccncc2)c2c1CCCC2)Nc1ccccc1 5263827 SSMJJWAPPAWEBY-UHFFFAOYSA-N 406.511 3.296 0 40 HGAB Cc1nc2cc(NC(=O)[C@H]3CCCN3S(=O)(=O)c3cccs3)ccc2s1 5298755 LRJLRPHRXVQPAH-CQSZACIVSA-N 407.542 3.458 0 40 HGAB O=C(CN1CCCc2ccccc21)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 5689503 TWNLVEVQVUCNRH-UHFFFAOYSA-N 413.543 3.253 0 40 HGAB Cc1ccc(C)c(N2N=C(C(=O)Nc3ccc(N4CCOCC4)cc3)CCC2=O)c1 5899771 ZCOAVHPKOZAWSM-UHFFFAOYSA-N 406.486 3.262 0 40 HGAB COc1cc(C(=O)NCc2n[nH]c(=S)n2-c2ccc(F)cc2)cc(OC)c1OC 6414242 OHJDKHHHNQFZRQ-UHFFFAOYSA-N 418.450 3.025 0 40 HGAB CCn1cc(C(=O)OCC(=O)Nc2ccc(C)c(Cl)c2)c(=O)c2ccc(C)nc21 6635148 GHJUHBGCOZZYJQ-UHFFFAOYSA-N 413.861 3.482 0 40 HGAB Cc1c(NC(=O)c2nn(C(C)C)c(=O)c3ccccc23)c(=O)n(-c2ccccc2)n1C 6887257 VLPTZLGODRUAOD-UHFFFAOYSA-N 417.469 3.028 0 40 HGAB COc1ccc(CN(CC(=O)N2CCN(Cc3ccccc3C)CC2)C2CC2)cc1 7662328 DOQFLOOSJKKQFY-UHFFFAOYSA-N 407.558 3.312 0 40 HGAB CC(=O)c1cccc(NC(=O)COC(=O)c2cccc(NC(=O)C(F)(F)F)c2)c1 8412349 PSRPUIWMCHRUQF-UHFFFAOYSA-N 408.332 3.186 0 40 HGAB CCCCn1c(=O)[nH]c(=O)c2c1nc(CSc1nccn1-c1cccc(C)c1)n2C 8725190 CUVMNEITHNVIJL-UHFFFAOYSA-N 424.530 3.010 0 40 HGAB COC(=O)c1ccc2nc(NC(=S)NC(=O)c3ccccc3OC)sc2c1 8904313 UGZJTOHHNOYOPX-UHFFFAOYSA-N 401.469 3.218 0 40 HGAB Cc1cc(C)n2nc(C(=O)OCC(=O)c3cc(C)n(Cc4cccs4)c3C)nc2n1 9465033 ASPILYPVXPFIBL-UHFFFAOYSA-N 423.498 3.309 0 40 HGAB CCS(=O)(=O)c1ccc(-c2ccc(NS(=O)(=O)c3ccc(C)s3)cc2)nn1 9650651 JCANSOIOIZMMKG-UHFFFAOYSA-N 423.541 3.108 0 40 HGAB COc1ccc(OC)c(-c2csc(NC(=O)c3ccc(S(C)(=O)=O)cc3)n2)c1 9712778 HOABKEDYAWNSNT-UHFFFAOYSA-N 418.496 3.483 0 40 HGAB CCS(=O)(=O)N1CCC[C@@H](C(=O)N(Cc2ccccc2)Cc2ccccc2)C1 10302463 FSRWBXYJEBGCEH-OAQYLSRUSA-N 400.544 3.277 0 40 HGAB Cc1ccc(-n2nc(C)cc2NC(=O)Cn2nc(-c3ccc(F)cc3)oc2=O)cc1 10423227 GOCVCKRSEIURAT-UHFFFAOYSA-N 407.405 3.084 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCc4sccc4C3)CC2)cc1C 10922737 MZAOFWBXEPAPDT-UHFFFAOYSA-N 418.584 3.351 0 40 HGAB COc1cc(NC(=O)/C=C/c2cc(F)cc3c2OCOC3)ccc1N1CCCC1=O 11447202 NVGOYUKGNNMDPL-QPJJXVBHSA-N 412.417 3.480 0 40 HGAB C[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1nc2cc3c(cc2s1)OCCO3 11752423 QDLBVHXCMDTGKN-LBPRGKRZSA-N 413.455 3.321 0 40 HGAB COc1ccc(CNC(=O)[C@H]2CCCN(c3nc4ccccc4n3C)C2)c(OC)c1 12116449 GOUIQMPVQDAYCS-KRWDZBQOSA-N 408.502 3.123 0 40 HGAB C[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccccc1C(=O)N1CCN(C)CC1 12137653 XSGHPAGURVSXOQ-OAHLLOKOSA-N 401.894 3.134 0 40 HGAB Cc1cccc(N2CCN(CN3C(=O)C(=O)c4ccc(Br)cc43)CC2)c1 12552561 SQCURIPWRIQCPN-UHFFFAOYSA-N 414.303 3.067 0 40 HGAB C[C@@H](OC(=O)c1ccccc1OCc1ccc(Cl)cc1)C(=O)NC(=O)NC1CC1 12719892 OKJPOVCDOBYRHO-CYBMUJFWSA-N 416.861 3.453 0 40 HGAB COC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1 12790747 INIOBWOIBMVXQJ-SFHVURJKSA-N 417.483 3.160 0 40 HGAB CCOCCCN1CC2=C(C1=O)[C@H](c1ccc(OCc3ccccc3)cc1)NC(=O)N2 12879338 JQYAWMHIEJIKQL-QFIPXVFZSA-N 421.497 3.142 0 40 HGAB CC(C)(C)n1ccc(CN2CCC3(CC2)CN(C(=O)c2cccs2)NC(=O)O3)c1 14001520 STNLBJLSOPPLAQ-UHFFFAOYSA-N 416.547 3.436 0 40 HGAB O=C1Cc2cc(-c3csc(NC(=O)c4ccc(-n5cncn5)cc4)n3)ccc2N1 14170602 ARMRUMADNWCTFR-UHFFFAOYSA-N 402.439 3.138 0 40 HGAB O=C(COc1ccc(F)c(Cl)c1)NCC(=O)Nc1ccccc1Br 14248147 AZGTUXLXSQWWEX-UHFFFAOYSA-N 415.646 3.375 0 40 HGAB O=C(c1ccc(=O)n(CCOc2ccccc2)n1)N1CC=C(c2ccccc2)CC1 14250267 LOUCHMZKYHFNGA-UHFFFAOYSA-N 401.466 3.252 0 40 HGAB CSc1nc2nc(C)c(CC(=O)NCc3ccc(C(F)(F)F)cc3)c(C)n2n1 16301920 FBWCZEIWJJIYDN-UHFFFAOYSA-N 409.437 3.341 0 40 HGAB CN(CC(=O)Nc1ccccc1Cc1ccccc1)C1=NS(=O)(=O)c2ccccc21 17339181 UJORJZYQXXYXEM-UHFFFAOYSA-N 419.506 3.297 0 40 HGAB CCOc1ccc(NC2CCN([C@H]3CC(=O)N(c4ccc(F)cc4)C3=O)CC2)cc1 18217919 LTAVZZWYYZPJAC-NRFANRHFSA-N 411.477 3.433 0 40 HGAB CC(C)C(=O)N1CCCC[C@H]1c1nc(O)c2c(n1)CCN(C(=O)c1cccs1)C2 19085692 PCNPBXOWSQKIKU-INIZCTEOSA-N 414.531 3.152 0 40 HGAB Cc1cc(-c2cnc(N(C)C)nc2[C@H]2CCCCN2C(=O)Cc2ccccn2)on1 19121894 ZIKJODRSAONGFR-GOSISDBHSA-N 406.490 3.197 0 40 HGAB Cc1ncsc1-c1nnc([C@@H]2CCCN2S(=O)(=O)c2ccc(F)c(F)c2)o1 19563084 QDIYTYZGHHSIBJ-ZDUSSCGKSA-N 412.443 3.306 0 40 HGAB Cc1nc([C@@H]2CCCN2C(=O)c2cc[nH]n2)nc2c1CCC(=O)N2CC1CCCCC1 19743179 LSHQBGMCBPDIEG-IBGZPJMESA-N 422.533 3.345 0 40 HGAB CCN(CC(=O)N[C@@H](C)CCc1ccccc1)S(=O)(=O)c1ccc(OC)c(C)c1 19929932 XYCFZFDHTCDXEB-SFHVURJKSA-N 418.559 3.152 0 40 HGAB CCCOc1ccc(N(CC(=O)N[C@H](C)c2ccc(C)cc2)S(C)(=O)=O)cc1 22397546 BNHDUBMHAXBIKE-QGZVFWFLSA-N 404.532 3.427 0 40 HGAB O[C@@H](COCCOc1ccc(Cl)cc1)CN1CCN(c2ccc(F)cc2)CC1 23224715 UVUNLILQKZSHRB-HXUWFJFHSA-N 408.901 3.058 0 40 HGAB Cn1ncc2c(N3CCN(C(=O)Nc4ccc(Cl)c(Cl)c4)CC3)ncnc21 23402009 FVZFMBNVZJAILB-UHFFFAOYSA-N 406.277 3.024 0 40 HGAB O=C(CNC(=O)c1cccc(Cl)c1)NCc1ccc(OCC(F)(F)F)cc1 23510458 SPUXAGPKUXFHSE-UHFFFAOYSA-N 400.784 3.327 0 40 HGAB O=C(Cc1csc(NC(=O)c2ccco2)n1)NC[C@H](c1ccccc1)N1CCCC1 23739123 YUBRGSPLIQSBGR-GOSISDBHSA-N 424.526 3.484 0 40 HGAB CCc1c(C(=O)N(C)Cc2nc3ccccc3c(=O)[nH]2)cnn1-c1ccc(F)cc1 24566069 BHDBWHGIZRKBON-UHFFFAOYSA-N 405.433 3.083 0 40 HGAB Cc1cccc(OS(=O)(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)c1C 24749622 YFZUUXZKDDWYGU-UHFFFAOYSA-N 409.529 3.246 0 40 HGAB Cc1sc2nc(S[C@H](C)C(=O)Nc3ccc(C(N)=O)cc3)nc(N)c2c1C 24773994 VURWLCHFNFETTF-SNVBAGLBSA-N 401.517 3.109 0 40 HGAB Cc1ccc(C)c(OC[C@@H](O)CN(c2nccs2)S(=O)(=O)c2ccccc2)c1 24842763 UHCRUGLPCBCBPO-KRWDZBQOSA-N 418.540 3.395 0 40 HGAB O=C(c1cncc(Br)c1)N1CCN(C(=O)c2cc3ccccc3o2)CC1 25240811 YDGNQGHRVLQBES-UHFFFAOYSA-N 414.259 3.189 0 40 HGAB Cc1nc2c(cnn2C(C)C)c(C)c1CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O 25727414 DEXSPGOSEDUNTO-UHFFFAOYSA-N 419.485 3.426 0 40 HGAB Cc1ccc(CN2C[C@@H](C(=O)N3CCCN(Cc4ccccc4)CC3)CC2=O)cc1 26355981 HJDZEAWDUZZLHN-QHCPKHFHSA-N 405.542 3.078 0 40 HGAB Cc1ccc(-c2nc(CS[C@H](C)C(=O)N[C@@H]3CCS(=O)(=O)C3)cs2)cc1 31411899 OYBUWOGTBDYDKZ-UKRRQHHQSA-N 410.586 3.044 0 40 HGAB O=C(Cc1ccc(Br)cc1)Nc1ccc(CC(=O)N2CCOCC2)cc1 32707699 OMDKXUHOBWRPME-UHFFFAOYSA-N 417.303 3.032 0 40 HGAB C[C@@H]1CN(CCCNC(=O)Cc2ccc(NC(=O)OC(C)(C)C)cc2)C[C@@H](C)O1 32755414 FOZSRWAARUVPNY-IAGOWNOFSA-N 405.539 3.192 0 40 HGAB CCOC(=O)[C@H]1CCCN(C(=O)c2cnn(-c3ccccc3F)c2-n2cccc2)C1 32796421 ZDJVSNDFKXFYSQ-INIZCTEOSA-N 410.449 3.217 0 40 HGAB CCCc1nnc(NC(=O)CSc2nnc(-c3ccc4c(c3)OCO4)o2)s1 33004676 UWTASVWTDJGGED-UHFFFAOYSA-N 405.461 3.000 0 40 HGAB O=C(CN1CCN(C(=O)c2ccco2)CC1)N[C@@H](c1ccccc1)c1cccs1 35344233 XHSHJJRIIXMPGB-NRFANRHFSA-N 409.511 3.005 0 40 HGAB COCCNc1ccc(-c2noc([C@@H]3CCCN3Cc3ccc(C(=O)O)cc3)n2)cn1 35425157 SPBBOGJWOMUPCM-SFHVURJKSA-N 423.473 3.225 0 40 HGAB biogenic,in-vitro COc1c(C(=O)N(C)C)cn(C)c1-c1nc2cc(NC(=O)C3CCCC3)ccc2n1C 36369985 JKRBTBYSIOEIRE-UHFFFAOYSA-N 423.517 3.418 0 40 HGAB biogenic C[C@@H]1CCCN(Cc2ccccc2CNC(=O)Cn2cc(C(F)(F)F)ccc2=O)C1 36390795 ZEBMNDAKVHSODC-MRXNPFEDSA-N 421.463 3.415 0 40 HGAB CCn1cc(CN(Cc2ccccc2)S(=O)(=O)c2c(C)nn(CC)c2C)cn1 36615315 RBCQGAOZKNWKLJ-UHFFFAOYSA-N 401.536 3.127 0 40 HGAB CNS(=O)(=O)Cc1ccc(CNC(=O)[C@@H](C)Oc2ccc(C(C)C)c(C)c2)cc1 40145166 LLIIXUZGEBTMFL-QGZVFWFLSA-N 418.559 3.251 0 40 HGAB COCCn1c(SCc2nc(-c3ccccc3)no2)nc2ccsc2c1=O 45939347 GSTNKXFVRDNIPG-UHFFFAOYSA-N 400.485 3.447 0 40 HGAB Cc1ccccc1N1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(F)c(Cl)c3)C2)CC1 57416657 QJJKPBRRLGUVLS-MRXNPFEDSA-N 415.896 3.489 0 40 HGAB Cc1cc(=O)n(CC(=O)Nc2ccc3c(c2)CCC3)c(N2CCc3ccccc3C2)n1 57506683 HVEMDLKYNLPNLN-UHFFFAOYSA-N 414.509 3.242 0 40 HGAB CCOC(=O)c1cnn(-c2ccc(NC(=O)N(C[C@H]3CCOC3)C3CC3)cc2)c1C 58162081 ITUCRTGEQNFSSV-MRXNPFEDSA-N 412.490 3.390 0 40 HGAB COCCN1CC[C@H](CNC(=O)C2(c3ccc(Br)cc3)CCCC2)C1 65505299 HVCHBEIWSQJAKX-MRXNPFEDSA-N 409.368 3.345 0 40 HGAB O=C(c1n[nH]nc1Nc1ccc(Cl)cc1)N1CCN(c2ccc(F)cc2)CC1 67284336 ONKHGRZXXKRCJZ-UHFFFAOYSA-N 400.845 3.303 0 40 HGAB O=C(Nc1cccc(I)c1)[C@@H]1CCCN1C(=O)c1ccco1 69834575 WAKQBBXTTHKVKC-ZDUSSCGKSA-N 410.211 3.128 0 40 HGAB CCC(CC)NC(=O)c1nnn(-c2cccc3c2CCN(Cc2ccncc2)C3)c1C 69966783 VODLRVIUGUXHAI-UHFFFAOYSA-N 418.545 3.447 0 40 HGAB COc1ccc([C@@H]2[C@@H](C(=O)NCCn3cccc3)c3ccccc3C(=O)N2C)cc1 70666593 IAAGRLKLWQAMRB-FCHUYYIVSA-N 403.482 3.224 0 40 HGAB biogenic Nc1nc(=O)n(CC(=O)c2ccc(Br)cc2)c2sc3c(c12)CCC3 71279348 KIUJTCCGLABMMY-UHFFFAOYSA-N 404.289 3.174 0 40 HGAB CCN(CC)CCN(CCOc1ccc(S(C)(=O)=O)cc1)Cc1ccccc1 72308259 NFEIXHIFHHDSRQ-UHFFFAOYSA-N 404.576 3.313 0 40 HGAB COCCn1cc(C(=O)Nc2nc(-c3cccnc3)cs2)c2ccccc2c1=O 72401977 BENRLGWESZZRLI-UHFFFAOYSA-N 406.467 3.419 0 40 HGAB NC(=O)N1CC[C@H](NC(=O)CS[C@H](c2ccccc2)c2ccc(Cl)cc2)C1 78808912 CTZXMBIQBVLFIK-PKOBYXMFSA-N 403.935 3.432 0 40 HGAB C[C@]1(C(=O)O)CCN(C(=O)c2nc(-c3cccs3)n(-c3ccc(F)cc3)n2)C1 95970836 XBWHQLQJDSHRPW-IBGZPJMESA-N 400.435 3.072 0 40 HGAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N1CCNC(=O)[C@H]1c1ccccc1Cl 96010167 NDMWEWMCQDRXKM-IFMALSPDSA-N 423.900 3.304 0 40 HGAB COc1ccccc1CNC(=O)c1cccc(S(=O)(=O)N2CCC(C)CC2)c1 113957378 FQGMJXTZMCHWNQ-UHFFFAOYSA-N 402.516 3.046 0 40 HGAB C[C@@H](c1ccccc1)N1C[C@@H](C(=O)OCC(=O)Nc2ccccc2Cl)CC1=O 139141681 KQDOWCWGFAXLON-HOCLYGCPSA-N 400.862 3.431 0 40 HGAB O=C(O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)N1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 222421248 KZRCQJRZZOWBOO-DACLVMHWSA-N 409.313 3.161 0 40 HGAB O=C(NCCCNc1ccnc2cc(Cl)ccc12)c1cnc2sccn2c1=O 223036323 HRDJFAYQMZCYPK-UHFFFAOYSA-N 413.890 3.190 0 40 HGAB S=C1N[C@@H](c2ccccn2)[C@H](c2ccc(Cl)s2)N1CCN1CCOCC1 223125827 FYWZDWDQTWFZCR-IRXDYDNUSA-N 408.980 3.101 0 40 HGAB CN(C)CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1Cc1ccco1 223220030 NZQPCMQPODGIQO-LEWJYISDSA-N 409.559 3.449 0 40 HGAB COc1ccc(S(=O)(=O)NCc2ccc(CN3CCOCC3)cc2)cc1C(C)C 224575884 PRDPVPNNRFMYQU-UHFFFAOYSA-N 418.559 3.129 0 40 HGAB CC(C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CCc1ccc2c(c1)OCO2 224671667 GWZBXYGFLVUOMN-INIZCTEOSA-N 414.477 3.429 0 40 HGAB CCCn1c(=O)sc2cc(S(=O)(=O)NCCCOC3CCCCC3)ccc21 225732662 CKDBMUVSIBZURQ-UHFFFAOYSA-N 412.577 3.491 0 40 HGAB CCOc1ccc(NC(=O)[C@]2(C)CCCN(Cc3ccccc3)S2(=O)=O)cc1 225952265 UGAVVPWDAMSDPB-NRFANRHFSA-N 402.516 3.408 0 40 HGAB O=C1[C@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C(=O)N1CN(C(=O)C(F)(F)F)c1ccc(Cl)cc1 226400737 BMFUNSUHUHFQAF-FGZZBPHYSA-N 424.806 3.246 0 40 HGAB Cc1nn(C)cc1NC(=O)CN1CCCCC[C@@H]2N[C@H](Cc3ccccc3)C[C@@]21C 257273864 NINRGUCGQHLNMW-SFLYRZDNSA-N 409.578 3.275 0 40 HGAB CC(C)n1cnc([C@H]2CN(C(=O)c3ccc(F)cc3)C[C@@]23CCN(CC2CC2)C3=O)c1 306134787 NYELOIWEQSIPDP-YKSBVNFPSA-N 424.520 3.471 0 40 HGAB Cc1cc(OC2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)nc(C)n1 390826949 CYIQQLFULOJGGV-UHFFFAOYSA-N 401.532 3.204 0 40 HGAB Cc1ccc(C(=O)N[C@H](C)c2nnc(SCC(=O)NC3CCCCC3)n2C)cc1 409127915 KGTVWHDHEQKWOS-OAHLLOKOSA-N 415.563 3.156 0 40 HGAB CCCCCNC(=O)CN1CC[C@]2(O)CCCC[C@H]2[C@H]1c1ccc2c(c1)OCO2 504499884 XFEVYGOFGKAHNI-CDNPAEQRSA-N 402.535 3.390 0 40 HGAB biogenic COC1(c2nc(C3CC3)no2)CCN(Cc2nc(N)c3c(C)c(C)sc3n2)CC1 583615928 QLWFCYSAPZTAOX-UHFFFAOYSA-N 414.535 3.288 0 40 HGAB O=C(Nc1ccc(Cl)cc1)c1nc2c(s1)CCN(CC(=O)N1CCCC1)CC2 2055793402 XTCYAPBVHLFBFO-UHFFFAOYSA-N 418.950 3.072 0 40 HGAB CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 921108 XTSNVLGKOAHGHB-QGZVFWFLSA-N 414.593 3.205 0 40 HGAB COc1ccc(-c2nn([C@H]3CC(=O)[C@@H]4OC[C@H]3O4)c(=S)n2-c2ccccc2)cc1 1062047 CCQGEQHRADNQBZ-ILZDJORESA-N 409.467 3.334 0 40 HGAB Cc1cccc(NC(=O)COC(=O)[C@@H](CC(C)C)N2C(=O)c3ccccc3C2=O)c1C 1916971 LWGBJSYUDKIIAF-HXUWFJFHSA-N 422.481 3.496 0 40 HGAB COc1ccc(Cc2nc3c4cnn(-c5ccc(C)cc5)c4ncn3n2)cc1OC 2265451 ITAQVWYUPVJVSZ-UHFFFAOYSA-N 400.442 3.380 0 40 HGAB CCCCN1C(=O)/C(=c2/sc3nc(-c4ccccc4C)nn3c2=O)c2ccccc21 2398006 AWYNFAOQKDMAGC-VHEBQXMUSA-N 416.506 3.191 0 40 HGAB O=C(c1ccccc1)c1cc(Cl)ccc1NC(=O)c1cnc2n(c1=O)CCS2 2455855 CVOYNNIUICUEST-UHFFFAOYSA-N 411.870 3.486 0 40 HGAB CCCn1c(SCC(=O)NCCc2ccc(OC)cc2)nc2ccccc2c1=O 2643381 OEUMEXFAPGMXQW-UHFFFAOYSA-N 411.527 3.266 0 40 HGAB COc1ccccc1C(=O)CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O 2654259 VBDWYEYNONRMED-UHFFFAOYSA-N 400.434 3.374 0 40 HGAB CCOc1ccc(N2C(=O)c3cccc4c(N5CCNCC5)ccc(c34)C2=O)cc1 3108992 XQUKYPADVKXDGN-UHFFFAOYSA-N 401.466 3.449 0 40 HGAB CCc1cccc(C)c1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C 3249724 LMLSWXHUFALXDG-UHFFFAOYSA-N 402.516 3.139 0 40 HGAB CCSc1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1-c1ccc(F)cc1 3334296 KIJVBHFFDQOFQK-UHFFFAOYSA-N 406.508 3.436 0 40 HGAB Cc1csc(NC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc4C3)c2)n1 3340368 WYJLSFDTPTXTDC-UHFFFAOYSA-N 413.524 3.451 0 40 HGAB COc1cccc(-n2c(SCC(=O)NC3CCCC3)nc3c(c2=O)SCC3)c1 4358901 DNIHXBCXJKQDRJ-UHFFFAOYSA-N 417.556 3.040 0 40 HGAB COC(=O)c1cc(NC(=O)CSc2ncn(-c3ccccc3)n2)ccc1Cl 4656046 GWWWTPZNUQZKQW-UHFFFAOYSA-N 402.863 3.438 0 40 HGAB O=C(CSCC(=O)OCC(=O)c1ccccc1)Nc1nc2ccccc2s1 4999344 OJONQEZQKHHUJU-UHFFFAOYSA-N 400.481 3.394 0 40 HGAB C[C@H]1CCCN(C(=O)C(=O)c2cn(CC(=O)N3CCCCCC3)c3ccccc23)C1 5087262 PTEUJZOEEWCMCH-SFHVURJKSA-N 409.530 3.485 0 40 HGAB CCc1ccc(CN(C(=O)COc2ccc(C)cc2)[C@H]2CCS(=O)(=O)C2)cc1 5091608 WMJXAYJHNCINDH-FQEVSTJZSA-N 401.528 3.152 0 40 HGAB CC(C)c1ccc(O[C@H](C)C(=O)N(Cc2ccco2)[C@H]2CCS(=O)(=O)C2)cc1 5163237 PTQHKOKHKHKSHH-AEFFLSMTSA-N 405.516 3.386 0 40 HGAB O=C(CSc1ccc2c(c1)OCCCO2)Nc1ccc(N2CCOCC2)cc1 5365859 IOONYWRPFBFUIU-UHFFFAOYSA-N 400.500 3.415 0 40 HGAB COC(=O)c1c(NC(=O)Cc2cc(OC)c(OC)c(OC)c2)sc2c1CCC2 6077542 HQVPIPVJDNDGSK-UHFFFAOYSA-N 405.472 3.230 0 40 HGAB CC(C)OCCCNC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 6344514 PSHWVZSVDIQSBW-UHFFFAOYSA-N 424.950 3.467 0 40 HGAB COc1ccccc1C(=O)COC(=O)COc1ccc2c3c(c(=O)oc2c1)CCC3 6465095 CGUURTHVRZTNRW-UHFFFAOYSA-N 408.406 3.095 0 40 HGAB CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)Nc1ccc2c(c1)OCO2 6761769 SGMKRLHTOQJZBM-KRWDZBQOSA-N 414.458 3.464 0 40 HGAB O=C(CN1CCC(c2nc3ccccc3s2)CC1)N1CCN(c2ccccn2)CC1 6978647 GRBFUSNKYBETTO-UHFFFAOYSA-N 421.570 3.220 0 40 HGAB O=C(CCn1c(=O)oc2ccccc21)O[C@@H](C(=O)N1CCCCC1)c1ccccc1 7226038 AJZLUOMVYDDYBK-OAQYLSRUSA-N 408.454 3.282 0 40 HGAB CC(=O)c1sc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)nc1C 7599954 JIKAGQLVTATZOR-UHFFFAOYSA-N 421.544 3.002 0 40 HGAB O=C(COC(=O)CCN1C(=O)c2ccccc2C1=O)Nc1c(Cl)cccc1Cl 8667854 RKBRMRUCBWLJST-UHFFFAOYSA-N 421.236 3.161 0 40 HGAB O=C(Nc1ccccc1N1CCCC1=O)[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1 9449278 BTYIKGWTCKAOMZ-MRXNPFEDSA-N 411.889 3.454 0 40 HGAB O=C(CSc1nccn(-c2ccc(F)c(Cl)c2)c1=O)NCCc1ccccc1 9761379 PBCNJLUHPQOTJC-UHFFFAOYSA-N 417.893 3.476 0 40 HGAB COc1cn(CC(=O)Nc2ccc(C)cc2)c(CSc2nnc(C)s2)cc1=O 10254729 WDHCFVHKNHMQTF-UHFFFAOYSA-N 416.528 3.256 0 40 HGAB CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1ccc(Cn2cncn2)cc1 10387965 RPKLATGOSNBRNA-UHFFFAOYSA-N 418.284 3.344 0 40 HGAB O=C(CSc1nnc(N2CCCCC2)n1C1CC1)Nc1ccc2c(c1)OCCO2 11370503 NFDGVYCKGRTDGR-UHFFFAOYSA-N 415.519 3.105 0 40 HGAB O=C(C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)N1CCc2sccc2C1 12214722 GLUXVFSDNXVNBL-UHFFFAOYSA-N 424.975 3.387 0 40 HGAB COc1ccccc1O[C@@H](C)C(=O)N1CCC(c2noc(-c3ccncc3)n2)CC1 12219691 DPSFTQAKUIPHKD-HNNXBMFYSA-N 408.458 3.314 0 40 HGAB Cn1ccnc1[C@@H](NC(=O)CCC(=O)c1ccc2c(c1)OCCCO2)c1ccccc1 12741439 PFVBTPFZHPOHMC-QHCPKHFHSA-N 419.481 3.450 0 40 HGAB C[C@H]1CCc2c(C(=O)OCc3nnc4n(C)c(=O)c5ccccc5n34)csc2C1 12790411 OZKYHWYODBJCKG-LBPRGKRZSA-N 408.483 3.125 0 40 HGAB COC(=O)C[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(SC)cc2)C1)c1cccs1 12872082 RSPWJLLUWTZFBG-CJNGLKHVSA-N 418.540 3.244 0 40 HGAB C[C@H](NC(=O)Cc1cccc2ccccc12)C(=O)N1CCN(Cc2ccccc2)CC1 12911161 VYPXAWNMLXUKFI-FQEVSTJZSA-N 415.537 3.231 0 40 HGAB C[C@@H](NC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1)c1ccccc1Br 12974173 NCAICXCIYDXCNI-GFCCVEGCSA-N 423.332 3.381 0 40 HGAB Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)NCCCSc1ccc(F)cc1 14198168 MXIBLTGDTYHTPE-UHFFFAOYSA-N 410.536 3.297 0 40 HGAB O=C(NC1CCN(C(=O)c2ccc(OCC(F)(F)F)nc2)CC1)c1ccccc1 14350838 AEGHUGOGTRRTPS-UHFFFAOYSA-N 407.392 3.057 0 40 HGAB O=c1cccc2n1C[C@@H]1C[C@H]2CN([C@@H](c2ccccc2)c2nnnn2-c2ccccc2)C1 16030675 MTAIYTIOQSSQHB-WWEVIYMKSA-N 424.508 3.033 0 40 HGAB Cc1cccc(-c2cccc(C[C@]3(C(N)=O)CCCN(C(=O)c4cnccn4)C3)c2)c1 19235442 OZUKSGIMOPQCTK-RUZDIDTESA-N 414.509 3.402 0 40 HGAB CNC(=O)c1ccc(-c2ccc(CNC(=O)c3ccc(COC)cc3)cc2)nc1C 19700574 MQRIDAJQYKKMNN-UHFFFAOYSA-N 403.482 3.493 0 40 HGAB Cc1ccc(NC(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)c(-c2cc(C)n[nH]2)c1 19715369 QYNKJAGPOLJMDW-UHFFFAOYSA-N 409.490 3.133 0 40 HGAB CCCCNC(=O)C[C@H](c1ccc(OC)cc1)N(C)S(=O)(=O)c1ccccc1 19935759 JCYCKQFQOVMCIY-HXUWFJFHSA-N 404.532 3.363 0 40 HGAB O=C(N[C@]1(C(F)(F)F)N=C(c2ccccc2)N(Cc2ccccc2)C1=O)C1CC1 19939452 GXUAJGQXGDUDSA-HXUWFJFHSA-N 401.388 3.260 0 40 HGAB CCOc1ccc([C@H]2Nn3c(C)nnc3S[C@@H]2C(=O)N2CCCCCC2)cc1 20068846 IJCUGNBVKCFMJU-MSOLQXFVSA-N 401.536 3.147 0 40 HGAB CCOCCCNC(=O)c1ccc2c(c1)C(=O)N(CCc1c[nH]c3ccccc13)C2=O 20745226 ISKHTDROOGHDIS-UHFFFAOYSA-N 419.481 3.163 0 40 HGAB CCCOc1ccccc1CCCNC(=O)CN(c1ccccc1F)S(C)(=O)=O 22335270 YCQRVCYTSNAJEL-UHFFFAOYSA-N 422.522 3.130 0 40 HGAB O=C(CCCc1ccccc1)N1CCN(c2ccc3nnc(-c4ccco4)n3n2)CC1 23135463 SAXXIRHJTZRAAW-UHFFFAOYSA-N 416.485 3.056 0 40 HGAB CCC[C@H](NC(=O)[C@@H](C)Sc1ccc(S(=O)(=O)N(C)C)cn1)c1ccccc1 24939134 PLDMPKZTVKJAKC-QAPCUYQASA-N 421.588 3.470 0 40 HGAB COc1ccc(-c2n[nH]c(=S)n2CC(=O)N(C)Cc2nc3ccccc3[nH]2)cc1 29331363 OEBFDPLTIZZFAV-UHFFFAOYSA-N 408.487 3.151 0 40 HGAB COc1cc(CN(C(=O)c2ccc3c(c2)OCC(=O)N3)C2CC2)ccc1OC(F)F 32772486 GOGHDDVSIMPYDO-UHFFFAOYSA-N 418.396 3.432 0 40 HGAB Cc1noc(C)c1CSc1ncccc1C(=O)NCc1cccnc1-n1ccnc1 32778166 ROZXLBWWWMGSNG-UHFFFAOYSA-N 420.498 3.489 0 40 HGAB Cc1cc(C(=O)NC2CCN(C(=O)Nc3ccccc3)CC2)c2c(C)nn(C)c2n1 32900380 XTCQGLJMBTZIIM-UHFFFAOYSA-N 406.490 3.011 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCCN([C@@H](C)c3nc(C(C)(C)C)no3)CC2)cc1 32908874 IRZYZGAPDFRRAD-INIZCTEOSA-N 406.552 3.133 0 40 HGAB COc1ccc(-c2cc(C(=O)N3CCC[C@H](C(=O)N4CCC(C)CC4)C3)no2)cc1 35989312 FHBJMKCIVUNTOA-SFHVURJKSA-N 411.502 3.461 0 40 HGAB Cn1ccnc1C(=O)c1ccc(NC(=O)[C@H]2CCCN(C(=O)c3cccs3)C2)cc1 36395529 BYBTZGOOJFBDNO-INIZCTEOSA-N 422.510 3.204 0 40 HGAB CN(C)S(=O)(=O)c1ccc(C(=O)Nc2nc3ccccc3n2-c2ccccc2)o1 40145768 ZZMZUMDFPGVDAJ-UHFFFAOYSA-N 410.455 3.121 0 40 HGAB CCc1ccccc1NC(=O)[C@H]1CC(=O)Nc2nc(Nc3ccc(F)cc3)[nH]c(=O)c21 40399637 BVDWJMOQOADJSK-HNNXBMFYSA-N 421.432 3.280 0 40 HGAB COc1ccc(CNC(=O)CCn2nc(-c3ccc(C)c(C)c3)ccc2=O)cc1OC 41254962 NLZLNXYJLLTOGR-UHFFFAOYSA-N 421.497 3.251 0 40 HGAB CC[C@@H]1c2ccsc2CCN1C(=O)NCC[C@](O)(c1nccn1C)C(F)(F)F 45716788 HYZFJKVQECPORV-DYVFJYSZSA-N 416.469 3.341 0 40 HGAB CC(C)OC(=O)C[C@H](NC(=O)[C@H]1CCCN(C(=O)N2CCCC2)C1)c1ccccc1 48340362 UHKVOSVDFONYRF-PMACEKPBSA-N 415.534 3.113 0 40 HGAB O=C(NCCOc1ccc(F)cc1)[C@@H]1CCCN(c2ccc(-c3ccco3)nn2)C1 49371924 XGVXKHKTHVCOJN-MRXNPFEDSA-N 410.449 3.287 0 40 HGAB CCCCNC(=O)[C@@H]1CCCN(C(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)C)C1 50764819 VSOXEHANDYTTQV-UXHICEINSA-N 417.550 3.092 0 40 HGAB CC(C)c1ccc(-n2ncc3c(=O)n(CC(=O)Nc4ccc(F)cc4)cnc32)cc1 57486507 HSSMRLGLAOBZNO-UHFFFAOYSA-N 405.433 3.483 0 40 HGAB CN(C)C(=O)c1ccc(NCC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1 57688574 WMSIRXDNRLOPOH-FQEVSTJZSA-N 423.513 3.325 0 40 HGAB Cc1ccc(NS(=O)(=O)c2cc(C)cc(C(=O)O)c2O)c(Br)c1 58391574 BJDKCCDESHLBQH-UHFFFAOYSA-N 400.250 3.271 0 40 HGAB C[C@@H](NC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)c1cccc(OC(F)F)c1 71850421 QPPCYYNWZGCLDV-ZUFFMMDNSA-N 413.490 3.191 0 40 HGAB CCN(CC)S(=O)(=O)N1CCC(c2ccc(Nc3ncccc3C)cn2)CC1 72374206 IVYWWTTYWHDMNT-UHFFFAOYSA-N 403.552 3.295 0 40 HGAB C[C@H]1C[C@@H](CNC(=O)c2cccc(S(=O)(=O)Nc3ccc(F)cc3)c2)CCO1 95457891 MZDQYVCWXVVXEI-GJZGRUSLSA-N 406.479 3.171 0 40 HGAB CO[C@](C)(CNS(=O)(=O)c1ccc2c(c1)OCCCO2)c1cccc(Cl)c1 96392986 NWNRJSLBHCQISM-LJQANCHMSA-N 411.907 3.341 0 40 HGAB CCNS(=O)(=O)c1ccc(-c2nc(-c3ccccc3Br)no2)cc1 97377864 NGGQNPUZEAPKKX-UHFFFAOYSA-N 408.277 3.464 0 40 HGAB CCOc1ccc(CCC(=O)Nc2ccccc2C(=O)NCCOC)cc1OCC 216456932 BDMNZKRMNLGGBI-UHFFFAOYSA-N 414.502 3.432 0 40 HGAB C[C@@H]1Cc2cc(Br)ccc2N1S(=O)(=O)c1ccc2[nH]c(=O)oc2c1 223026506 ZHFRERXSWCFIJU-SECBINFHSA-N 409.261 3.024 0 40 HGAB C[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1)c1ccc2c(c1)CCC2 223258204 KTJQQCPDKTZASV-LAUBAEHRSA-N 412.555 3.453 0 40 HGAB CCCCCNC(=O)c1ccc(OC)c(CN(C)S(=O)(=O)c2ccccc2)c1 224773537 SXLSMLKXFJCORH-UHFFFAOYSA-N 404.532 3.436 0 40 HGAB CCOc1ccc(CCCNS(=O)(=O)c2ccc(Cl)c(C(=O)OC)c2)cc1 225260161 MINIBADOPUZBHV-UHFFFAOYSA-N 411.907 3.436 0 40 HGAB Cc1cccc(CSCCNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c1 225566704 NUUZOOBGNCYOHQ-UHFFFAOYSA-N 418.584 3.443 0 40 HGAB COc1cccc(CN(C(=O)COc2ccccc2OC)[C@H](C)C(=O)NC(C)C)c1 225651084 PPWWSLFBGDRSHI-QGZVFWFLSA-N 414.502 3.025 0 40 HGAB CCOC(=O)[C@]1(CN)[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 225661701 FYDSZLRCGNAQST-WSTZPKSXSA-N 407.919 3.096 0 40 HGAB CC(=O)Nc1cccc(NC(=O)Cn2ccc(=O)c3cc(Br)ccc32)c1 225731249 MQJTWWIJEIQBKX-UHFFFAOYSA-N 414.259 3.361 0 40 HGAB S=C(NC[C@@H]1CCCO1)Nc1nc(N2CCCC2)cc(N2Cc3ccccc3C2)n1 225906951 WHUSZEDLMXSZKH-SFHVURJKSA-N 424.574 3.062 0 40 HGAB CCOc1ccc(C(=O)NCC(=O)OCC(=O)O[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)cc1 245266512 JOLMTLQZNNAWJM-FFZOFVMBSA-N 419.518 3.362 0 40 HGAB COc1ccccc1-c1ccc2c([C@H]3CN(Cc4ccco4)CCN3C)nnn2c1 306135048 OFWANVKVVSYQPO-OAQYLSRUSA-N 403.486 3.487 0 40 HGAB O=C(CSc1n[nH]c(-c2cc(Br)ccc2O)n1)NCc1ccccc1 408544232 UITBQDBYNCXJSQ-UHFFFAOYSA-N 419.304 3.348 0 40 HGAB Cc1cc(I)cc(C)c1NC(=O)Cn1c(=O)oc2ccccc21 408600039 RUCWDSSDPXRHBE-UHFFFAOYSA-N 422.222 3.455 0 40 HGAB CCOc1ccccc1N(CC(=O)Nc1ccc(OC(C)C)cc1)S(C)(=O)=O 408630971 YPTOYAJYCFSPGJ-UHFFFAOYSA-N 406.504 3.277 0 40 HGAB CCn1c(CNC(=O)c2ccccc2)nnc1SCC(=O)Nc1cccc(C)c1 409161418 UUCHQJKAXRMJAG-UHFFFAOYSA-N 409.515 3.267 0 40 HGAB Cn1cnnc1C1CCN(S(=O)(=O)c2ccc(OCC3CCCCC3)cc2)CC1 615205777 YKGYUTAMAQMRNN-UHFFFAOYSA-N 418.563 3.343 0 40 HGAB O=C(N/C(=C/c1ccccc1)C(=O)N1CCOCC1)c1ccc(Br)cc1 850961 XNMMJHNSNBBPLT-NBVRZTHBSA-N 415.287 3.079 0 40 HGAB CCn1c(SCC(=O)Nc2ccc(NC(=O)C3CC3)cc2)nnc1-c1ccncc1 1342392 BWYWBOCRHSWAFG-UHFFFAOYSA-N 422.514 3.439 0 40 HGAB CC(C)[C@H](NC(=O)OC(C)(C)C)c1nnc(S(=O)(=O)Cc2ccccc2F)o1 2422526 QLIYODTWVMQZQD-AWEZNQCLSA-N 413.471 3.404 0 40 HGAB COc1ccc(CNC(=O)CSc2nnc(C)n2Cc2ccccc2)cc1OC 3411295 LYEYASTYHTVJIH-UHFFFAOYSA-N 412.515 3.061 0 40 HGAB COC(=O)c1ccc(C)c(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)c1 3556025 MOJXBFKNKMZRLO-UHFFFAOYSA-N 416.499 3.209 0 40 HGAB COc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)c(OC)c1 3606808 XFMAWKKGEZAGEA-UHFFFAOYSA-N 404.488 3.131 0 40 HGAB C[C@H]1CCCC[C@H]1NC(=O)CSc1nnc(-c2ccncc2)n1CCCN(C)C 4130376 RBTROSDHSMXYNG-FUHWJXTLSA-N 416.595 3.079 0 40 HGAB CC1(C)O[C@@H]2O[C@@H](C(=O)Oc3ccc4ccccc4c3)[C@@H]3OC(C)(C)O[C@H]3[C@H]2O1 4303712 ZDCHMLLJWMHZBP-VBEQINLCSA-N 400.427 3.142 0 40 HGAB CCCC(=O)Nc1cc(C(=O)OC)ccc1N1CCN(C(=O)c2ccccc2)CC1 4711643 WHPBTTYEOYSZPV-UHFFFAOYSA-N 409.486 3.174 0 40 HGAB CCc1ccccc1NC(=O)COc1ccc(S(=O)(=O)N2CCCCC2)cc1 4778238 HGEUNXOPRKUSNF-UHFFFAOYSA-N 402.516 3.441 0 40 HGAB C[C@@H]1CN(S(=O)(=O)c2cc(Br)ccc2Br)C[C@@H](C)O1 6314688 RMOMRWHNHUFESX-RKDXNWHRSA-N 413.131 3.010 0 40 HGAB COc1ccccc1[C@@H](C)NC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1 6602520 QOKDYDAUXLGLQN-OAHLLOKOSA-N 414.483 3.258 0 40 HGAB Cc1ccc(C)c(NC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)c1 6628299 GIDLCFZMDXATJT-IRXDYDNUSA-N 402.516 3.354 0 40 HGAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1cccc(C(F)(F)F)c1 6887313 GRRSXQVZTWCDSB-UHFFFAOYSA-N 402.394 3.217 0 40 HGAB Cc1ccc2nc(CSc3nnc([C@@H]4COc5ccccc5O4)o3)cc(=O)n2c1 7089075 HDDRELLUSFAHIQ-INIZCTEOSA-N 408.439 3.191 0 40 HGAB COc1ccc(S(=O)(=O)Nc2cccc(SC)c2)cc1C(=O)N1CCCC1 7361353 BGSCZDVKSMBUNA-UHFFFAOYSA-N 406.529 3.454 0 40 HGAB CC(=O)Nc1ccc(SCC(=O)c2ccc(CC(=O)N3CCOCC3)s2)cc1 7393827 XFOWCFHGRNJAJO-UHFFFAOYSA-N 418.540 3.083 0 40 HGAB CCN(C(=O)CN1C(=O)N[C@@](CC)(c2ccc(OC)cc2)C1=O)c1ccc(F)cc1 7410710 WYNAWKBGTAMALL-QFIPXVFZSA-N 413.449 3.045 0 40 HGAB Cc1cc(OC(=O)[C@H]2CC(=O)N(c3c(C)cccc3C)C2)ccc1N1C(=O)CCC1=O 7928618 LLSDYRJVSSSKBT-KRWDZBQOSA-N 420.465 3.224 0 40 HGAB CC1=CC[C@H]2C(=O)N(c3ccccc3C(=O)Nc3ccc(C(=O)O)cc3)C(=O)[C@H]2C1 8472777 YHHNPKKFKGOKSJ-AEFFLSMTSA-N 404.422 3.483 0 40 HGAB CCn1nc(NS(=O)(=O)c2cccc3nonc23)c2cc3ccc(C)cc3nc21 9013620 BNZUMWFGFRJTMR-UHFFFAOYSA-N 408.443 3.250 0 40 HGAB COc1ccc(CN2C(=O)N[C@@H](CCC(=O)N[C@@H]3CCCc4ccccc43)C2=O)cc1 9419023 LVUCDAAVEIRAKJ-RTWAWAEBSA-N 421.497 3.090 0 40 HGAB O=c1c(NCc2ccc3c(c2)OCO3)nccn1-c1ccc(Br)cc1 10273186 LSSCKTCFYGDLOP-UHFFFAOYSA-N 400.232 3.336 0 40 HGAB Cc1ccc(Nc2nc(N)nc(COC(=O)c3c[nH]nc3-c3ccccc3)n2)cc1 12520137 LLKVFMPSFZSRCM-UHFFFAOYSA-N 401.430 3.253 0 40 HGAB COc1ccccc1CN(C)C(=O)CCn1cnc2sc3c(c2c1=O)CCCC3 12785990 XGIZPMNQYNQZTP-UHFFFAOYSA-N 411.527 3.394 0 40 HGAB COc1ccc(CCC(=O)Nc2ccc(S(C)(=O)=O)cc2)cc1Br 12825051 OUMUEFZYIFGODV-UHFFFAOYSA-N 412.305 3.433 0 40 HGAB CCN(CC)C(=O)COC(=O)c1cccnc1Sc1ccc2c(c1)OCCO2 12914005 QTXZODDUDOLOFW-UHFFFAOYSA-N 402.472 3.029 0 40 HGAB COc1cc(NC(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)c(OC)cc1Cl 12997997 JSBABTALKLCFOE-UHFFFAOYSA-N 410.879 3.050 0 40 HGAB O=S(=O)(Nc1ccc(Nc2ccc(-n3cccn3)nn2)cc1)c1cccc(F)c1 13009992 GTJPHBIMHMAQMO-UHFFFAOYSA-N 410.434 3.346 0 40 HGAB O=C(CCN1C(=O)S/C(=C\c2ccccc2F)C1=O)NCCc1ccc(O)cc1 13575744 BKEAJQJGPZLCIC-AQTBWJFISA-N 414.458 3.317 0 40 HGAB O=C1NC(=O)/C(=C/c2ccc(OCc3ccc(I)cc3)cc2)N1 13940645 FMLPVMMDSJQMFO-DHDCSXOGSA-N 420.206 3.051 0 40 HGAB C[C@H]1CCCCN1S(=O)(=O)c1ccc(NS(=O)(=O)Cc2ccccc2)cc1 17088074 TVICNTHBWZLYNK-INIZCTEOSA-N 408.545 3.192 0 40 HGAB COc1ccc(C(=O)NCCc2ccc(Cl)cc2)cc1S(=O)(=O)N1CCCC1 17297577 PKLRCJFCRMMWPX-UHFFFAOYSA-N 422.934 3.106 0 40 HGAB COc1cccc([C@@H](NC(=O)c2cc3ccc(N(C)C)cc3[nH]2)c2nccn2C)c1 19291239 IYJVBFUFHBDHAX-OAQYLSRUSA-N 403.486 3.495 0 40 HGAB CC1CCC(N2CCc3nc([C@H]4CCCN4C(=O)c4cccnc4)nc(O)c3C2)CC1 19496006 CQPKXFWQMMWHKO-QYGXFBIXSA-N 421.545 3.491 0 40 HGAB CCOc1cc(CN2CCC[C@@H](c3cc4cccnc4[nH]3)C2)ccc1OCC(N)=O 19532205 FPAXNDWDPRRYCZ-GOSISDBHSA-N 408.502 3.205 0 40 HGAB CNC(=O)[C@]1(Cc2ccccc2-c2ccccc2)CCN(C(=O)Cc2ccccn2)C1 19591525 OSEPVPKSVMGOLT-SANMLTNESA-N 413.521 3.499 0 40 HGAB Cc1ncc(C(=O)NCc2cnn(-c3ccccc3)c2[C@@H]2CCN(C(C)C)C2)c(C)n1 19707995 FXDGCMUFALLSAX-LJQANCHMSA-N 418.545 3.407 0 40 HGAB Cn1c(CCC(=O)N[C@@H]2CC(=O)N(c3ccccc3F)C2)nc2cc(Cl)ccc21 19714234 YEDNGDGYXAQXPC-CQSZACIVSA-N 414.868 3.220 0 40 HGAB COc1ccccc1[C@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 21598504 HQGKLFKXVMSKOV-GJZGRUSLSA-N 408.545 3.035 0 40 HGAB Cc1cc(C)c([C@H](C)NC(=O)CN(Cc2ccc(F)cc2)S(C)(=O)=O)cc1C 22536431 ZOYGJRMZAZJRBM-KRWDZBQOSA-N 406.523 3.390 0 40 HGAB CN(c1ccccc1)S(=O)(=O)c1cccc(NCC(=O)NCc2cccs2)c1 22811054 UNSPMFBLXRZHJQ-UHFFFAOYSA-N 415.540 3.302 0 40 HGAB Cc1cccc(CN2CCN(CC(=O)Nc3c(F)c(F)c(F)c(F)c3F)CC2)c1 22920227 HSNGUZNFXVISIR-UHFFFAOYSA-N 413.390 3.447 0 40 HGAB C[C@@H](c1nc2ccccc2s1)N1CCN(C(=O)c2n[nH]c(=O)c3ccccc23)CC1 23918434 UQHRVBLNTLPVNE-AWEZNQCLSA-N 419.510 3.052 0 40 HGAB O=C(Nn1cnc2ccccc21)N1CCN(Cc2ccc(Br)s2)CC1 24528343 DTYAQCUYDORNJF-UHFFFAOYSA-N 420.336 3.342 0 40 HGAB NS(=O)(=O)c1cccc(NC(=O)COc2ccc(C3SCCCS3)cc2)c1 27399251 XDIOOTIBWIGDBS-UHFFFAOYSA-N 424.569 3.220 0 40 HGAB COc1ccc(S(=O)(=O)Nc2cc(C(=O)O)ccc2C)cc1Br 32798199 XNOCESUBVFUMNA-UHFFFAOYSA-N 400.250 3.265 0 40 HGAB Cc1ccc(N2C[C@@H](C(=O)N3CCC(C(=O)c4ccc(O)cc4)CC3)CC2=O)cc1F 32903346 GRTLMWKTOYNDBF-SFHVURJKSA-N 424.472 3.314 0 40 HGAB O=C(CSc1nc2ccccc2n1CC(=O)N1CCCC1)N1CCCCCC1 35312088 NGQISPURFZGAKM-UHFFFAOYSA-N 400.548 3.153 0 40 HGAB Cc1cc(N2CCN(C(=O)c3ccco3)CC2)n2nc(-c3ccc(F)cc3)cc2n1 35314615 VOIMOEVOOSMZDO-UHFFFAOYSA-N 405.433 3.399 0 40 HGAB CCOC(=O)c1c(NC(=O)[C@H](C)N2C[C@@H](C)O[C@H](C)C2)sc2c1CC[C@@H](C)C2 36329923 CJWNNNIRFKIZOX-TUVASFSCSA-N 408.564 3.486 0 40 HGAB Cc1cc(C)c(S(=O)(=O)NCCCN2CCO[C@H](c3ccccc3)C2)cc1C 36700265 FBWLSNKCVWKCRT-NRFANRHFSA-N 402.560 3.354 0 40 HGAB O=C1C[C@@H](c2ccccc2O)Cc2c1cnc1nc(NCc3ccco3)[nH]c(=O)c21 38829529 XLYKLTCGETYAQM-LBPRGKRZSA-N 402.410 3.142 0 40 HGAB CNC(=O)[C@H](NC(=O)c1cc(-c2ccc(Br)cc2)n[nH]1)c1ccccc1 40152027 ZSIYCWONMZACGK-QGZVFWFLSA-N 413.275 3.056 0 40 HGAB O=C1CC[C@@]2(C(=O)Nc3cccc(Br)c3)N=C(O)c3ccccc3N12 40288459 XGQNNHWXYIOBAY-GOSISDBHSA-N 400.232 3.229 0 40 HGAB Cc1c(NS(C)(=O)=O)cccc1C(=O)NCc1ccc(CN2CCCCC2)cc1 44874577 AUDVQWMWXCKHLQ-UHFFFAOYSA-N 415.559 3.282 0 40 HGAB C[C@H]1CCCC[C@H]1OCCNC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 45956020 WQXDGGVZAMNFDM-XJKSGUPXSA-N 417.959 3.307 0 40 HGAB COc1cccc(C(=O)NC2CCN(C(=O)c3cc(-c4ccc(F)cc4)n[nH]3)CC2)c1 46836426 HXKSALNOHDTXBE-UHFFFAOYSA-N 422.460 3.259 0 40 HGAB O=C(COc1coc(CN2CCCCC2)cc1=O)N1CCC(Cc2ccccc2)CC1 49549889 KNMSIPFTUAFLCV-UHFFFAOYSA-N 424.541 3.486 0 40 HGAB O=C(CN1CCN(c2cc(F)cc(F)c2)CC1)N[C@H]1CCC[C@H](C(F)(F)F)C1 65492695 VOYQLUMNQPIZCP-BBRMVZONSA-N 405.411 3.324 0 40 HGAB O=C(Nc1cccc(Cn2cccnc2=O)c1)N1CCCN(Cc2cccs2)CC1 65564822 IHDKZBVUGCXICE-UHFFFAOYSA-N 423.542 3.093 0 40 HGAB Cc1nn([C@H]2CCS(=O)(=O)C2)c2c1[C@H](c1cccc(OCC(C)C)c1)CC(=O)N2 71279134 PMGPYRZRAQTVJR-WMZOPIPTSA-N 417.531 3.060 0 40 HGAB CC(C)(C)OC(=O)N1CCC(CC(=O)NC[C@H](CO)Cc2ccccc2F)CC1 72303104 MTMMSTMIXCYYRG-QGZVFWFLSA-N 408.514 3.130 0 40 HGAB COC(=O)[C@]1(Cc2ccc(OC)cc2)C(=O)C[C@H]2CC[C@@H]1N2Cc1cccc(OC)c1 72340205 XAAJGQSXNFAOIO-WPWBMXPQSA-N 423.509 3.412 0 40 HGAB COc1cccc(OCCc2cc([C@H]3CCN(Cc4cccnc4N(C)C)C3)n[nH]2)c1 72371741 DXGRGVIJGGCCDJ-SFHVURJKSA-N 421.545 3.490 0 40 HGAB COc1ccc(CN2CCC[C@@H](c3cc(=O)[nH]c(-c4ccncc4)n3)C2)cc1OC 72392911 YUUQFLOXBMMDET-GOSISDBHSA-N 406.486 3.229 0 40 HGAB COc1cccc2[nH]cc([C@H](CC(=O)N[C@H]3CCS(=O)(=O)C3)c3ccccc3)c12 95475465 FXXRUKHTLRVEPL-DLBZAZTESA-N 412.511 3.002 0 40 HGAB Cc1ccnc2nc(C(=O)N3CCCCC[C@H]3c3noc(-c4ccccc4)n3)nn12 96001358 NPEAJTKENGWBCK-INIZCTEOSA-N 403.446 3.240 0 40 HGAB COc1cc(NC(=O)N2CCC(Oc3cccc(C)n3)CC2)cc(OC)c1OC 96119552 FEAJTAVQCFFFQR-UHFFFAOYSA-N 401.463 3.491 0 40 HGAB Cn1c(CCCCCNC(=O)[C@H]2CCCN(c3ncccn3)C2)nc2ccccc21 96231621 ZMDOIBYLRGUPSQ-SFHVURJKSA-N 406.534 3.109 0 40 HGAB O=C(Cn1nc(-c2ccco2)ccc1=O)Nc1ccccc1-c1cn2ccccc2n1 206899410 UQXRXNSIMQZPQF-UHFFFAOYSA-N 411.421 3.457 0 40 HGAB CN(C)S(=O)(=O)c1ccc(C(=O)N2CCCC[C@@H](c3ccc(F)cc3)C2)cc1 211079105 IDOZCIAWHCPDGO-GOSISDBHSA-N 404.507 3.486 0 40 HGAB CNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)COc1ccc(Br)cc1 222384266 DXOFGEWJUFSIDU-HNNXBMFYSA-N 419.319 3.300 0 40 HGAB CC[C@@H](C)NS(=O)(=O)c1ccc(OCC(=O)Nc2ccc3sncc3c2)cc1 222659893 BJVLEMQZBLGBGJ-CYBMUJFWSA-N 419.528 3.391 0 40 HGAB CCC(=O)N(Cc1ccc(F)cc1)[C@H](Cc1ccccc1)C(=O)NCCCOC 223193396 NLJOGYZSNZUVRC-OAQYLSRUSA-N 400.494 3.328 0 40 HGAB Cc1ccccc1-c1noc(CNS(=O)(=O)c2ccc(Br)s2)n1 223575126 HLSZVUVSOGDHEK-UHFFFAOYSA-N 414.306 3.348 0 40 HGAB CS(=O)(=O)N(CC(=O)NCCc1ccc(Cl)cc1)c1ccc(Cl)cc1 223637311 FCRXFOLVYKQDDC-UHFFFAOYSA-N 401.315 3.118 0 40 HGAB Cc1ccc(C(=O)NC[C@H]2CCCO2)cc1N(C)S(=O)(=O)c1ccc(Cl)cc1 224316978 JCHQYKJIRVOMPL-QGZVFWFLSA-N 422.934 3.382 0 40 HGAB CS(=O)(=O)N(CCCC(=O)NCCc1ccc(Cl)cc1)c1cccc(F)c1 224798918 VTFNODCCWZZNJR-UHFFFAOYSA-N 412.914 3.384 0 40 HGAB CCOc1ccc(C(=O)N(CC)CC)cc1CN(C)S(=O)(=O)c1ccccc1 224815578 OPYVLPPXVHXTTP-UHFFFAOYSA-N 404.532 3.388 0 40 HGAB CS(=O)(=O)N(CCCC(=O)NCCSC1CCCC1)c1ccccc1F 225543242 VFACBNMUAQXRGJ-UHFFFAOYSA-N 402.557 3.164 0 40 HGAB O=C(Nc1ccc2sncc2c1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 226081846 YPFSKAFWWDVQIT-CYBMUJFWSA-N 419.503 3.475 0 40 HGAB O=C(CNC(=O)C1(Cc2cccc(-c3cccnc3)c2)CCOCC1)N1CCCCC1 257223330 DWWPGBJVBCIKIU-UHFFFAOYSA-N 421.541 3.217 0 40 HGAB Cc1ccc(C(=O)N2CCC(COc3cccc(Cl)c3)(CC(N)=O)CC2)cn1 257305808 SRQIZBZXHHKDPE-UHFFFAOYSA-N 401.894 3.220 0 40 HGAB Cc1nc(C(=O)N2CCO[C@@H](c3nnn4cc(-c5ccccc5)ccc34)C2)cs1 306127937 GLGBPTYJSMYRMI-LJQANCHMSA-N 405.483 3.375 0 40 HGAB CCCCNC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccccc1 409129866 VIAIQQFIWWKPPN-UHFFFAOYSA-N 410.923 3.460 0 40 HGAB Cc1ccccc1[C@@H](Cc1nc(-c2cccc(N3CCCC3=O)c2)no1)NC(N)=O 546990273 FFIWMOCEICWISX-GOSISDBHSA-N 405.458 3.124 0 40 HGAB Cc1ccc(CN2CC(=O)NCCCCCOc3ccc(CC(=O)O)cc3C2)cc1 643574902 ZLSFSBFWIDRBMG-UHFFFAOYSA-N 410.514 3.303 0 40 HGAB Cc1nc(N2C[C@@H]3C[C@@H](C)N(c4nccc(C(F)(F)F)n4)[C@@H]3C2)c2ccncc2n1 1888888506 NEUWETIINZDRAH-PVXIVEMSSA-N 415.423 3.246 0 40 HGAB COc1ccccc1N1CCN(C(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)CC1 917631 PWRCUHCOVBDREG-MDZDMXLPSA-N 412.486 3.083 0 40 HGAB COc1ccc2[nH]c(=O)c(CN(CCO)C(=O)Nc3ccccc3Cl)cc2c1 1327276 LKVHSMOJFSCLPI-UHFFFAOYSA-N 401.850 3.217 0 40 HGAB COc1cc(OC)c([C@H]2SCC(=O)N2c2nnc(C(F)(F)F)s2)cc1OC 1608274 RJFLTIZDWWICKM-GFCCVEGCSA-N 421.422 3.361 0 40 HGAB COCCOC(=O)c1c(N)n(-c2cccc(C(C)=O)c2)c2nc3ccccc3nc12 2369176 ARNQMXFKXNPTAN-UHFFFAOYSA-N 404.426 3.162 0 40 HGAB CC(C)OCCCN1CN(S(=O)(=O)c2cccs2)c2nc3ccccc3nc21 2408319 MYFVPLPLGVLDOR-UHFFFAOYSA-N 418.544 3.479 0 40 HGAB Cc1nn(C)cc1S(=O)(=O)NCc1cn(-c2ccccc2)nc1-c1ccccc1 2804848 IVWFUHJFYXEKPS-UHFFFAOYSA-N 407.499 3.060 0 40 HGAB O=C(COC(=O)c1ccccc1I)NCC1CCCCC1 3288213 STHSZLZDIYRNEP-UHFFFAOYSA-N 401.244 3.145 0 40 HGAB CCOc1ccccc1N1C[C@@H](C(=O)Nc2ccc3c(C)cc(=O)oc3c2)CC1=O 3343683 GLTIVPAJJQRUMS-HNNXBMFYSA-N 406.438 3.492 0 40 HGAB C[C@@H](OC(=O)c1ccc2ncsc2c1)C(=O)Nc1ccc(N2CCOCC2)cc1 3416695 LICXPOLNTUKYHO-CQSZACIVSA-N 411.483 3.317 0 40 HGAB O=C(Cn1c(C(F)(F)F)nc2ccccc21)OCC(=O)N1CCc2ccccc21 3420363 QDSPABVOXISQEF-UHFFFAOYSA-N 403.360 3.188 0 40 HGAB COc1ccccc1CNC(=O)COC(=O)c1ccc(C(=O)c2ccccc2)cc1 3543208 MTISVDKGOOCFJA-UHFFFAOYSA-N 403.434 3.399 0 40 HGAB COc1ccccc1N1CCN(CC(=O)Nc2ccc(CN3CCCCC3)cc2)CC1 4093418 YKNOGUMFLSMCFE-UHFFFAOYSA-N 422.573 3.442 0 40 HGAB CCCCNC(=S)N(Cc1cc2cc(OC)ccc2[nH]c1=O)C[C@H]1CCCO1 4133305 OZAHBXLYVMJSMO-GOSISDBHSA-N 403.548 3.192 0 40 HGAB CC(=O)N1CCc2c(sc(NC(=O)c3ccc(Cl)cc3Cl)c2C(N)=O)C1 4275149 NWMFPAGVFWZOBV-UHFFFAOYSA-N 412.298 3.311 0 40 HGAB O=C(O)c1cccc(NC(=O)c2cccc(N3C(=O)[C@H]4[C@H]5CC[C@H](C5)[C@@H]4C3=O)c2)c1 4506692 KTYNEGDZQKOLSA-ATNYCFDYSA-N 404.422 3.173 0 40 HGAB COc1cccc(NC(=O)[C@H]2CC(=O)Nc3nc(SCc4ccccc4)nn32)c1 4737149 QZQHSIUZNBSGID-MRXNPFEDSA-N 409.471 3.101 0 40 HGAB COc1ccc(CCNc2nc(C)nc3c2nnn3Cc2ccccc2)cc1OC 4968040 NYABHKLGLDMDEV-UHFFFAOYSA-N 404.474 3.250 0 40 HGAB CCOc1cccc([C@H]2c3c(n[nH]c3-c3cc(C)cc(C)c3O)C(=O)N2CCO)c1 5343945 DWXZSKAAKXCFCT-NRFANRHFSA-N 407.470 3.335 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccccc3OC)C2)cc1C 6425251 AYFPAKYOPFYUDK-MRXNPFEDSA-N 418.515 3.052 0 40 HGAB CCCCCNC(=O)CN(c1ccc(OC)cc1OC)S(=O)(=O)c1ccccc1 6597005 BBQWZKROGPRHGU-UHFFFAOYSA-N 420.531 3.206 0 40 HGAB Cc1c(O[C@@H](C)C(=O)NC[C@@H](O)c2ccccc2)ccc2c3c(c(=O)oc12)CCC3 6658908 LNXDCMZZQZKINP-MGPUTAFESA-N 407.466 3.207 0 40 HGAB Cc1ccc(C)c(OCCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)c1 7059724 IDCHXKHZOWZVJA-UHFFFAOYSA-N 402.516 3.496 0 40 HGAB COc1ccc(OC)c(C(=O)COC(=O)CCc2c(C)nc3cc(C)nn3c2C)c1 7672741 MBWIOXSPQMMRKB-UHFFFAOYSA-N 411.458 3.030 0 40 HGAB O=C([C@@H]1CN(C(=O)c2ccc(-n3cccn3)cc2)c2ccccc2O1)N1CCCCC1 8265315 LIEVDFSVXAIFOW-QFIPXVFZSA-N 416.481 3.293 0 40 HGAB Cc1ccc(S[C@H](C)C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 8304912 KSDBIWAFDSFDAJ-MRXNPFEDSA-N 422.547 3.148 0 40 HGAB CC(=O)Nc1ccc(NC(=O)CCC(=O)OCC(=O)Nc2ccc(C)c(C)c2)cc1 8415172 RTZJJNKDNVTYOD-UHFFFAOYSA-N 411.458 3.162 0 40 HGAB COc1ccc(C(=O)NC2CCCCC2)cc1S(=O)(=O)NCc1ccccc1 8476199 IBSYMJQTZDOQCT-UHFFFAOYSA-N 402.516 3.236 0 40 HGAB COC(=O)c1ccc(NC(=O)Cn2c(=O)nc(-c3ccccc3)c3ccccc32)cc1 8608985 BRNQFEBCOOSMQX-UHFFFAOYSA-N 413.433 3.489 0 40 HGAB C(=C\CSc1nnn(-c2ccccc2)n1)\CSc1nnn(-c2ccccc2)n1 8717040 XDUXJEYVLFPHHP-FPLPWBNLSA-N 408.516 3.079 0 40 HGAB O=C1N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1CC(=O)N(C1=CCCCC1)C1CC1 9216742 DPHKFKHSXWPNLM-FQEVSTJZSA-N 406.486 3.080 0 40 HGAB Cc1c(Cl)cccc1-n1ccnc1SCC(=O)NCc1nnc2ccccn12 9377174 BABDSUUTNLYPNU-UHFFFAOYSA-N 412.906 3.285 0 40 HGAB CC(C)(C)c1cc(NC(=O)CSc2nnc(-c3cccc(Cl)c3)n2N)on1 9531867 HXIUEDZRZIULSS-UHFFFAOYSA-N 406.899 3.329 0 40 HGAB O=c1c2cc(Cl)ccc2ncn1CN1CCN(c2ccc(C(F)(F)F)cn2)CC1 9882648 WPJJVKJCTRCCHS-UHFFFAOYSA-N 423.826 3.243 0 40 HGAB Oc1nnc(-c2ccc(Cl)cc2Cl)c2c1Nc1nnnn1[C@H]2c1ccco1 10298323 LTMZXHCUHIBKKZ-AWEZNQCLSA-N 402.201 3.430 0 40 HGAB CN(C)[C@@H](CNC(=O)c1ccc(Cn2nnc3ccccc32)cc1)Cc1ccccc1 11603656 RRBTVUPDKDIOOS-JOCHJYFZSA-N 413.525 3.382 0 40 HGAB O=C(NCCCn1nc(-c2cccnc2)ccc1=O)c1ccc(Cl)cc1Cl 11745553 GCWVMXQHWUEXMQ-UHFFFAOYSA-N 403.269 3.432 0 40 HGAB CCCCNC(=O)CN1CCC[C@@H](c2c(-c3cc(C)no3)cnc3cc(C)nn23)C1 12121264 BNRCWAUNSXRLFQ-QGZVFWFLSA-N 410.522 3.097 0 40 HGAB Cc1ccc(-c2cc(N)c(=O)n(CC(=O)NC(c3ccccc3)c3ccccc3)n2)o1 12182718 IBRSJBGRKHDXSP-UHFFFAOYSA-N 414.465 3.300 0 40 HGAB CSCc1nc2sc(C(=O)N[C@H]3CCOc4ccccc43)c(C)c2c(=O)[nH]1 12567378 IBJRGSNQOSYDRS-LBPRGKRZSA-N 401.513 3.410 0 40 HGAB COc1cccc([C@@H]2C(C(=O)OCc3ccccc3)=C(C)Nc3ncnn32)c1OC 13132115 UMQUMRNAIIRWQF-LJQANCHMSA-N 406.442 3.328 0 40 HGAB CC(=O)Nc1ccc(NC(=O)COc2ccc3nc4n(c(=O)c3c2)CCCCC4)cc1 13732170 FFDVPOKIDGYKSV-UHFFFAOYSA-N 420.469 3.099 0 40 HGAB CN(Cc1ccc(OCC(=O)Nc2cc(Cl)ccc2Cl)cc1)S(C)(=O)=O 14400689 ISOPCCVMLYSOGI-UHFFFAOYSA-N 417.314 3.402 0 40 HGAB COC(=O)c1ccc(C)c(NC(=O)[C@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)c1 16347332 JIVAIBXEKMJXDR-ZDUSSCGKSA-N 424.906 3.228 0 40 HGAB COc1ccc(S(=O)(=O)Nc2nc(CC(=O)Nc3ccc(C)cc3)cs2)cc1 17042254 MFSZHPHKVJCSFW-UHFFFAOYSA-N 417.512 3.442 0 40 HGAB CCn1ncc2nc(-c3ccc(OC)c(COc4ccc(OC)cc4)c3)[nH]c(=O)c21 17087315 ZVSZMHQBDKMELC-UHFFFAOYSA-N 406.442 3.403 0 40 HGAB Cc1nc([C@H](Cc2c[nH]c3ccccc23)NC(=O)COc2cccc(F)c2)cc(=O)[nH]1 19240977 ZBYGXEOOUJGKHC-FQEVSTJZSA-N 420.444 3.178 0 40 HGAB O=C(c1cc([C@H]2CCCN(Cc3ccc4ncccc4c3)C2)no1)N1CCC(O)CC1 19347017 BDYHQQRBDOEVHN-IBGZPJMESA-N 420.513 3.199 0 40 HGAB NC(=O)[C@]1(Cc2ccc(-c3ccccc3F)cc2)CCCN(C(=O)[C@H]2CCCO2)C1 19368365 IGNIRTPOCZWKLS-QPPBQGQZSA-N 410.489 3.308 0 40 HGAB COc1ccc(F)c([C@@H]2NC(=O)CC[C@H]2NCc2cc(OC)c(OC)cc2C)c1 19567131 KNYQTFPPHVDXMW-GCJKJVERSA-N 402.466 3.269 0 40 HGAB Cc1cc(C(F)(F)F)c2c([C@@H]3CCCN(C(=O)C[C@H](C)n4cncn4)C3)noc2n1 19568607 BHLHTAQEDFCRBN-QWHCGFSZSA-N 422.411 3.499 0 40 HGAB CC1=NN(CCC(=O)N2CC[C@@H](c3nc(N(C)C)ncc3-c3cccc(F)c3)C2)CC1 19695030 LFLWGPHNGHKQFD-GOSISDBHSA-N 424.524 3.136 0 40 HGAB Cc1cnn(CC(=O)N2CCC[C@@H](c3ccc(C(=O)Nc4ccc(F)cc4)cn3)C2)c1 19705580 INCAPXTUGWEOAG-GOSISDBHSA-N 421.476 3.384 0 40 HGAB O=C(NCC1CC1)c1ccc([C@H]2CCCN(C(=O)c3ccc4nsnc4c3)C2)nc1 19705626 UGCCAQLXEPRZAP-KRWDZBQOSA-N 421.526 3.246 0 40 HGAB Cc1cc(NC(=O)c2cc3c(CO)cnc(C)c3o/c2=N\O)ccc1Br 20849232 RFSMZLYDGBKDJM-PYCFMQQDSA-N 418.247 3.242 0 40 HGAB Cc1ccc(C(=O)CCC(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2O)s1 21006379 NMLWUWLHWFDKDD-UHFFFAOYSA-N 422.528 3.148 0 40 HGAB CC(C)[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NC[C@@H](C(C)C)N(C)C 22754478 VGXMPTSHGXICLL-IRXDYDNUSA-N 402.366 3.450 0 40 HGAB Cc1cc(C)c2c(=O)cc(C(=O)NC[C@H](c3ccc(C)o3)N3CCN(C)CC3)oc2c1 22938456 ZZOHPRYQMODKPN-GOSISDBHSA-N 423.513 3.030 0 40 HGAB COc1cc(OC)cc(C(=O)N[C@H](C(=O)N2CCC[C@@H](C(F)(F)F)C2)C(C)C)c1 24183622 NVXRGOPLBCIBCY-PBHICJAKSA-N 416.440 3.259 0 40 HGAB COC(=O)C[C@H](NC(=O)CCc1ccccc1OC)c1ccc(OC)c(OC)c1 24485586 JLKOFYAMABGOMT-KRWDZBQOSA-N 401.459 3.066 0 40 HGAB CCc1ccc(N2C[C@H](C(=O)N(C)CC(=O)Nc3c(C)cccc3C)CC2=O)cc1 24592982 YZGPZVBSXLPIHT-LJQANCHMSA-N 407.514 3.316 0 40 HGAB CS(=O)(=O)Nc1ccccc1NC(=O)c1ccc(Cl)c(N2CCCC2=O)c1 24889399 QIPIVZFZFFXDKD-UHFFFAOYSA-N 407.879 3.091 0 40 HGAB COC(=O)C[C@@H](NC(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1)c1ccc(C)cc1 25601614 MMOYPMRVTPHVSF-UXHICEINSA-N 410.470 3.147 0 40 HGAB COc1ccc2cc(CN3CCc4cc(S(N)(=O)=O)ccc43)c(Cl)nc2c1 27550967 IMDVZTVQQXTVAO-UHFFFAOYSA-N 403.891 3.107 0 40 HGAB COc1ccccc1N1CCN(C(=O)c2ccc(Cn3cc(Cl)cn3)o2)CC1 27982227 YWNKUFCXIPJJCC-UHFFFAOYSA-N 400.866 3.149 0 40 HGAB CCn1c(=O)c2ccccc2n2c(CSc3nc(-c4ccccc4F)n[nH]3)nnc12 29238948 VICMOACXTXMAGG-UHFFFAOYSA-N 421.461 3.281 0 40 HGAB CN(CC(=O)NCc1ccco1)C(=O)C1=NN(c2ccccc2)[C@H](c2ccccc2)C1 29402857 CLXCAWPSXDSQCQ-QFIPXVFZSA-N 416.481 3.362 0 40 HGAB COc1ccc(Cc2nnc(NC(=O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)s2)cc1 31815278 PNNHRTNKDHUFBC-QGZVFWFLSA-N 422.510 3.125 0 40 HGAB O=C(c1ccccc1C(F)(F)F)N1CCN(C(=O)c2cccc3cn[nH]c23)CC1 33188187 YYXUKDCVVUNTRP-UHFFFAOYSA-N 402.376 3.180 0 40 HGAB COc1ccc(OC)c(NC(=O)[C@H](C)OC(=O)c2ccc(-c3nc(C)no3)cc2)c1 39551736 WZONWGIZXSFHIB-LBPRGKRZSA-N 411.414 3.246 0 40 HGAB O=C(NCc1cccnc1)C1CCN(C(=O)c2cc(F)ccc2Br)CC1 40072452 YBZABUOARMXWJL-UHFFFAOYSA-N 420.282 3.152 0 40 HGAB CC(C)(C)C(=O)N[C@@H](N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)C(Cl)(Cl)Cl 43751621 PPEDLGLAIQXYQN-ZOWXZIJZSA-N 420.768 3.126 0 40 HGAB biogenic O=C(Cn1cnc2nc(N3CCCC3)sc2c1=O)Nc1cccc(C(F)(F)F)c1 45970577 SFCWUYUVRSHPHH-UHFFFAOYSA-N 423.420 3.111 0 40 HGAB CS(=O)(=O)N[C@H]1CCCN(C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)C1 47825444 RMWRUVBXUOERNU-INIZCTEOSA-N 414.487 3.040 0 40 HGAB O=C(NCc1cn2cc(Br)ccc2n1)Nc1cccc2c1OCCO2 56719204 DHXGLXQBMYZHDH-UHFFFAOYSA-N 403.236 3.190 0 40 HGAB CC(=O)c1ccc(N2CCN(CC(=O)Nc3ccc(Br)cc3)CC2)cc1 57712383 GTVXNVUCKLGWEB-UHFFFAOYSA-N 416.319 3.412 0 40 HGAB COc1ccc(C(=O)CNC(=O)CCC(=O)N2CCC[C@@H]2c2ccc(F)cc2)cc1 62580959 TUHPSUVEGXODBS-HXUWFJFHSA-N 412.461 3.277 0 40 HGAB Cc1ccc(C)c(NC(=O)Cn2ccn3nc(-c4ccc5c(c4)OCO5)cc3c2=O)c1 64591348 BXBZLJFASKTQFE-UHFFFAOYSA-N 416.437 3.147 0 40 HGAB COc1ccc(CNC(=O)c2ccc(S(=O)(=O)c3ccc(C)c(C)c3)nc2)cc1 64942588 MRBCSRXXWPAFCY-UHFFFAOYSA-N 410.495 3.470 0 40 HGAB Cc1ccc(S(=O)(=O)NCCc2nnc(-c3ccccc3)o2)c(Br)c1 79012779 LSGUYUCKEVJKMO-UHFFFAOYSA-N 422.304 3.329 0 40 HGAB COc1cc(OC)cc(C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)c1 89651199 JDHHYERRXMUVRN-UHFFFAOYSA-N 418.515 3.439 0 40 HGAB C[C@]1(C(=O)Nc2c[nH]cc(Br)c2=O)CCCN(C(=O)c2ccccc2)C1 89919327 AXNNLMWABRBNCM-IBGZPJMESA-N 418.291 3.018 0 40 HGAB COc1ccc(Cl)cc1NC(=O)CN1CC(c2nc(-c3ccsc3)no2)C1 90567293 WOJSFTCNRAJNNK-UHFFFAOYSA-N 404.879 3.498 0 40 HGAB C[C@@H](OC[C@@H]1CCCCO1)C(=O)Nc1cc2c(cc1Br)OCCO2 95377660 HTFXSKYDGSLXEM-NEPJUHHUSA-N 400.269 3.133 0 40 HGAB CC[C@@H](NC(=O)c1cccc(-c2nnc(CS(C)(=O)=O)o2)c1)c1cccs1 95465187 JTDMVWOUZUMDJL-CQSZACIVSA-N 405.501 3.224 0 40 HGAB COc1ccc(-c2noc(COC(=O)[C@H]3CCc4[nH]nc(C(F)(F)F)c4C3)n2)cc1 95466478 LFUOZKYOYOCJKH-NSHDSACASA-N 422.363 3.335 0 40 HGAB O=C1[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@@H]2C(=O)N1CN(C(=O)C(F)(F)F)c1ccccc1Cl 100395231 JVRDQUOEXUDOPB-KXBVSSMTSA-N 424.806 3.246 0 40 HGAB Cn1c(=O)c(-c2nc3cc(N4CCOCC4)ccc3[nH]2)c(O)c2cc(Cl)ccc21 101630489 PEVNXWBSICIPOY-UHFFFAOYSA-N 410.861 3.277 0 40 HGAB CCc1ccccc1N1C(=O)C[C@H](c2c(C)nn(-c3nc4ccccc4[nH]3)c2O)C1=O 101984009 LNAJHVVCOMEJEX-OAHLLOKOSA-N 415.453 3.372 0 40 HGAB COC(=O)C[C@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@H](O)C[C@@H]1C[C@H]3O 118932385 KLXPQIAGNBJJFR-AEALUMOBSA-N 408.579 3.147 0 40 HGAB COc1cc(C(=O)O)cc(OC)c1OCC(=O)Nc1ccc(Br)cc1 217732436 MIFGXXGZJBZWCV-UHFFFAOYSA-N 410.220 3.182 0 40 HGAB Cc1ccccc1OC[C@@H](C)NC(=O)c1ccc(N2CCCCS2(=O)=O)cc1 222590384 VWFDIMLAKULZTQ-QGZVFWFLSA-N 402.516 3.122 0 40 HGAB S=C(NCc1cccnc1)Nc1ccc(N2CCN(c3ccccc3)CC2)nc1 223940468 SISFOELOVIFCEJ-UHFFFAOYSA-N 404.543 3.290 0 40 HGAB Cc1ccc(CN(CC(=O)Nc2ccc(N3CCCCC3)cc2)S(C)(=O)=O)cc1 224979169 KBHJUHPCXRBFLU-UHFFFAOYSA-N 415.559 3.386 0 40 HGAB CC[C@@H]1CCCCN1CCCNS(=O)(=O)c1ccc2c(c1)sc(=O)n2CC 225696450 SZPFTXNSSPBNIJ-OAHLLOKOSA-N 411.593 3.016 0 40 HGAB CCCn1c(=O)sc2cc(S(=O)(=O)Nc3cccc(C(=O)OC)c3)ccc21 225728163 QYEXYAMUACYFSK-UHFFFAOYSA-N 406.485 3.060 0 40 HGAB COc1ccccc1CNC(=O)Cn1ccc(=O)c2cc(Br)ccc21 225730712 NMAQFBSAXZBTQE-UHFFFAOYSA-N 401.260 3.089 0 40 HGAB C[C@H](NC(=O)[C@@H](C)N1CC[C@]2(CCC1=O)CC(=O)c1ccccc1O2)c1ccccn1 253374648 NBVMTLWGBWFSHP-OBWXTZQISA-N 421.497 3.064 0 40 HGAB Cc1nc(C)c(C(=O)N2CCC[C@](COc3ccc(F)cc3)(CC(N)=O)C2)s1 257285022 PFHDAOYWRGWGBV-FQEVSTJZSA-N 405.495 3.076 0 40 HGAB COc1ccc(C)cc1N(CC(=O)N[C@H](C)c1ccc2c(c1)CCC2)S(C)(=O)=O 260928641 JXMJGNIXLIFMMK-MRXNPFEDSA-N 416.543 3.136 0 40 HGAB COc1ccc(-c2nnc3n(c2=O)CC[C@]32CCN(Cc3ccc(C)s3)C2)cc1 306137087 QLGFBIAQLNRSEE-QFIPXVFZSA-N 408.527 3.231 0 40 HGAB O=C(O)CCc1ccc(-c2cccs2)n1NC(=O)C(=O)Nc1ccc(F)cc1 408561963 MBZJDKXOXRNTAQ-UHFFFAOYSA-N 401.419 3.082 0 40 HGAB Cc1ccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccc(F)cc3)[C@@H]2c2ccc(C)cc2)cc1 409051836 BUUYJMCNORFJNI-WAUWHALJSA-O 416.476 3.459 0 40 HGAB Cc1cc(COc2ccc(C(=O)NCCN3CCCC3)cc2Br)no1 513135501 KZXHNURBLDAZTB-UHFFFAOYSA-N 408.296 3.150 0 40 HGAB CN1CCN(c2ncccc2CNC(=O)N2CCc3c2cccc3C(F)(F)F)CC1 545403116 MKSQHQXPSSBMRM-UHFFFAOYSA-N 419.451 3.125 0 40 HGAB O=C(Cc1cn2cc(Cl)cc(Cl)c2n1)Nc1ccc2c(c1F)CCNC2=O 551380910 NNUDMOGMJGYLAH-UHFFFAOYSA-N 407.232 3.247 0 40 HGAB Cc1nn(CCNS(=O)(=O)c2ccc3c(c2)CCO3)c(C)c1-c1cccs1 575613135 UYVGBYGSFVQIAK-UHFFFAOYSA-N 403.529 3.142 0 40 HGAB CCC[C@@H](C)N1C[C@H]2C(=O)NC3(CCN(C(=O)c4ccc(Cl)c(F)c4)CC3)[C@H]2C1 585106315 SLZDKCLCGIXQDX-OIISXLGYSA-N 421.944 3.320 0 40 HGAB CC(=O)N1CCCN(Cc2ccccn2)CCCN(C(=O)C2CC2)Cc2ccccc21 643581419 QOXBISZVBHASTF-UHFFFAOYSA-N 420.557 3.469 0 40 HGAB O=C(COCc1ccccc1)N1C[C@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@@H]2C1 1888869720 VSIWPYJJOWIVQT-IAGOWNOFSA-N 405.420 3.212 0 40 HGAB Cc1cnc(OC[C@@]23CCC[C@@H]2CN(C(=O)c2cncc(Br)c2)C3)nc1 1888879316 NVUNGHHIWBQJTJ-BEFAXECRSA-N 417.307 3.264 0 40 HGAB Cc1ccc(-c2nnc3c4ccccc4c(C)nn23)cc1S(=O)(=O)N1CCCC1 2393433 QNWMYZJZZBRFPI-UHFFFAOYSA-N 407.499 3.346 0 40 HGAB O=C(Cn1nc(C(F)(F)F)c(Cl)c1C1CC1)NCCCn1cc(Cl)cn1 2776743 CVEHXAAVIVITLS-UHFFFAOYSA-N 410.227 3.489 0 40 HGAB COc1ccccc1-c1nnc(SCC(=O)Nc2cc(Cl)ccc2C)n1N 3220873 MOBUAHVGZVQYDQ-UHFFFAOYSA-N 403.895 3.360 0 40 HGAB O=C(CSc1nnc([C@@H]2COc3ccccc3O2)n1-c1ccccc1)NC1CC1 3350808 WAJBEGCYNMFOEJ-SFHVURJKSA-N 408.483 3.151 0 40 HGAB COc1ccc(-c2cc(=O)oc3cc(OCC(=O)NC[C@H]4CCCO4)ccc23)cc1 4084704 JJXGCKNTACJKER-GOSISDBHSA-N 409.438 3.143 0 40 HGAB biogenic Cc1cccc(-n2c(Cc3ccccc3)nnc2S[C@H](C(=O)NC(N)=O)C(C)C)c1 4500500 DRLLYZKMQBBCJJ-IBGZPJMESA-N 423.542 3.478 0 40 HGAB C[C@H]1CN(C(=O)c2ccccc2NS(=O)(=O)c2ccc(Cl)cc2)C[C@H](C)O1 6383315 RIOJXLRNKUFPIM-KBPBESRZSA-N 408.907 3.390 0 40 HGAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CN(C)c1ccc2ccccc2c1 6589779 BXGGPWQWUCAGIL-UHFFFAOYSA-N 411.527 3.473 0 40 HGAB Cc1ccc(Nc2nc(N)nc(CSc3nnc(-c4ccoc4C)n3C)n2)cc1 7987401 GBZRAPZBOSDLNG-UHFFFAOYSA-N 408.491 3.495 0 40 HGAB CN1C2=C(C(=O)CCC2)C(c2cc(Cl)ccc2OCC(N)=O)C2=C1CCCC2=O 8091658 URAHNBODRHNQIH-UHFFFAOYSA-N 414.889 3.247 0 40 HGAB C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)c1ccc(CNC(=O)C(C)(C)C)s1)C2=O 8313258 WKCHPZJJINFYIB-LRTDBIEQSA-N 419.547 3.094 0 40 HGAB CC[C@H](c1nnc(S[C@H](C)C(=O)NC2CC2)n1-c1ccc(OC)cc1)N(C)C 8427807 FBTCVPVSQQZIEI-CXAGYDPISA-N 403.552 3.048 0 40 HGAB O=C(Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccc2c(c1)OCCO2 8767602 CZIOOPLEQBWJHY-UHFFFAOYSA-N 416.499 3.275 0 40 HGAB CCOC(=O)c1sc2nc3c(cc2c1NC(=O)CNC(C)C)COC(C)(C)C3 8993552 CTLQOVWNSJPIHL-UHFFFAOYSA-N 405.520 3.261 0 40 HGAB COc1cc2c(cc1OC)CN(C(=O)NCCC(=O)Nc1ccc(Cl)cc1)CC2 9184230 ZJTVEHJWSRQQKO-UHFFFAOYSA-N 417.893 3.454 0 40 HGAB O=C(Nc1ccc(Cl)cc1)c1ccc(NC2=N[C@@H]3CS(=O)(=O)C[C@H]3S2)cc1 9530096 QQDCEDMJQVGZDB-HZPDHXFCSA-N 421.931 3.273 0 40 HGAB COc1ccc(S(=O)(=O)Nc2nc(CC(=O)Nc3ccc(F)cc3)cs2)cc1 9828647 NEXXHYHOPFJTSV-UHFFFAOYSA-N 421.475 3.273 0 40 HGAB O=S(=O)(NCCOc1ccc(-c2cccs2)nn1)c1ccc2c(c1)CCCC2 9853659 SIJISCNVMGVUTG-UHFFFAOYSA-N 415.540 3.441 0 40 HGAB COc1cccc(C2=NO[C@@H](C(=O)Nc3cc(Br)ccc3O)C2)c1OC 9856688 YSDBVGRRRTVTDQ-MRXNPFEDSA-N 421.247 3.304 0 40 HGAB COc1ccc(F)cc1S(=O)(=O)N1CCC(C(=O)Nc2c(C)cccc2C)CC1 10302905 CRBPHVLFHBCLOD-UHFFFAOYSA-N 420.506 3.491 0 40 HGAB CCOC(=O)C1CCN(C(=O)[C@H](C)Sc2nccn2-c2ccc(OC)cc2)CC1 11395243 OBTFTQWONOJHKR-HNNXBMFYSA-N 417.531 3.163 0 40 HGAB COc1ccccc1CNC(=O)C[C@@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1 11612925 VCWOUWIQJCKIIN-SFHVURJKSA-N 420.506 3.084 0 40 HGAB CN(C)c1cccc(C(=O)NC[C@@H](c2cccnc2)S(=O)(=O)c2ccccc2)c1 11907119 MWFPYFWCOKRVGS-NRFANRHFSA-N 409.511 3.093 0 40 HGAB COc1cc(CNC(=O)[C@H]2CCCN(c3nc4ccccc4n3C)C2)cc(OC)c1 12116445 PCDKALIPDXPVSN-KRWDZBQOSA-N 408.502 3.123 0 40 HGAB Cc1ccc2oc(C(=O)N(C)c3nc4c(s3)CCc3c-4cnn3C)cc(=O)c2c1 12146146 CGPMIBQUTYYZDM-UHFFFAOYSA-N 406.467 3.334 0 40 HGAB CCC(=O)N1CCc2cc([C@@H](O)CN3CCC(O)(c4cccc(C)c4)CC3)ccc21 12181125 VBNWLZPHKONQNR-QHCPKHFHSA-N 408.542 3.311 0 40 HGAB Cc1cc(C)cc(O[C@H](C)C(=O)N2CCC[C@@H](c3noc(-c4cnccn4)n3)C2)c1 12187659 MTPNLZKJKWZFPS-IAGOWNOFSA-N 407.474 3.317 0 40 HGAB CCn1c(=O)oc2cc(S(=O)(=O)N(Cc3ccccn3)C3CC3)c(Cl)cc21 12222298 KBSYWVQSSXBFFS-UHFFFAOYSA-N 407.879 3.016 0 40 HGAB COc1ccc(S(=O)(=O)N(C)Cc2nc3ccccc3n2C(F)F)cc1OC 12519818 PJVVNBBAUHFODZ-UHFFFAOYSA-N 411.430 3.269 0 40 HGAB CCS(=O)(=O)Nc1cccc(C(=O)NCCc2ccc(Br)s2)c1 12536257 LUHVODPVYMXKMN-UHFFFAOYSA-N 417.350 3.245 0 40 HGAB O=S(=O)(c1ccc(NCc2ccccc2CN2CCCC2)nc1)N1CCCC1 12567570 CDCOMBFXFSUVPC-UHFFFAOYSA-N 400.548 3.074 0 40 HGAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 12781421 WVDVYFJSKRPXQK-BTYIYWSLSA-N 412.511 3.232 0 40 HGAB c1ccc(Cn2nnnc2[C@@H](c2cccnc2)N2CCN(c3ccccc3)CC2)cc1 13116405 LNWCSHCCFJYCEZ-HSZRJFAPSA-N 411.513 3.028 0 40 HGAB Cc1cc(-c2snnc2[C@H]2CCCN(C(=O)c3ccc4c(c3)OCCO4)C2)on1 13226043 QQDIDXUFCOAZCD-AWEZNQCLSA-N 412.471 3.293 0 40 HGAB CN(CC(=O)Nc1ccc(CN2CCCC2)cc1)Cc1ccccc1N1CCOCC1 14095903 RGANIQDXBKWCER-UHFFFAOYSA-N 422.573 3.190 0 40 HGAB COc1cccc(NC(=O)[C@H](C)OC(=O)[C@H](C)NC(=O)c2ccccc2Cl)c1 14240940 PRPLHOIDVFLASV-STQMWFEESA-N 404.850 3.037 0 40 HGAB CN(C)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1cccc(OC(F)F)c1 14245292 PMSCLJLGZYIOQK-UHFFFAOYSA-N 410.442 3.131 0 40 HGAB COc1ccc(C(=O)N[C@H](C)c2ccccc2C)cc1S(=O)(=O)N1CCCC1 14425480 MBVNKMIFSBFIRQ-MRXNPFEDSA-N 402.516 3.279 0 40 HGAB CC(C)(C)C(=O)[C@H]1[C@H]2C(=O)N(c3cccc(F)c3)C(=O)[C@H]2[C@H]2c3ccccc3C=NN21 16038840 MFOHTVHZYOGBBJ-IYWMVGAKSA-N 419.456 3.320 0 40 HGAB CN(Cc1ccccc1Cl)C(=O)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O 17917914 VXYYIEPNTNBJQA-INIZCTEOSA-N 412.873 3.387 0 40 HGAB NC(=O)[C@@]1(Cc2cccc(-c3cccc(F)c3)c2)CCCN(C(=O)[C@@H]2CCCO2)C1 19331290 YBAKTSRBAJDWGF-XUZZJYLKSA-N 410.489 3.308 0 40 HGAB COCCOc1cc(CN2C[C@H](CN3CCOCC3)c3ccccc32)ccc1OC 19593615 GGSOAUIXUFBSRH-FQEVSTJZSA-N 412.530 3.156 0 40 HGAB CN(C)c1ncc(-c2cccc(Cl)c2)c(C2CCN(C(=O)C(C)(C)O)CC2)n1 19687571 WTBYRVZFTHMMLM-UHFFFAOYSA-N 402.926 3.340 0 40 HGAB COc1ccccc1NC(=O)c1ccc(C2CCN(Cc3ccnn3C)CC2)nc1N 19766015 MWOASURGAAEIKC-UHFFFAOYSA-N 420.517 3.038 0 40 HGAB O=C(COc1ccccc1Cl)NC(=S)Nc1ccc(CN2CCOCC2)cc1 19922446 RICSYLPYXRRUCO-UHFFFAOYSA-N 419.934 3.064 0 40 HGAB CC[C@H](NC(=O)COc1ccc(CN(C)S(C)(=O)=O)cc1)c1ccc(C)cc1 20047527 FSBRMKBKSOYTNK-FQEVSTJZSA-N 404.532 3.033 0 40 HGAB CC(C)C[C@@H](NC(=O)c1ccc(N(C)S(=O)(=O)N(C)C)cc1)c1ccccc1 20110400 DRESQSKRNYCCIX-HXUWFJFHSA-N 403.548 3.446 0 40 HGAB CCNS(=O)(=O)c1cc(C(=O)N[C@@H](C)c2cc(C)c(C)cc2C)ccc1OC 22537857 OUSNJFACOGDXMR-INIZCTEOSA-N 404.532 3.410 0 40 HGAB Cc1cccc(C)c1OCCOC[C@H](O)CN1CCN(c2ccccc2F)CC1 22608896 JOBUUTXPHMZCPL-HXUWFJFHSA-N 402.510 3.021 0 40 HGAB CC[C@H](NC(=O)CN1CCN(Cc2ccc3c(c2)OCO3)CC1)c1ccc(C)cc1 22773036 RRHOSJSTYMENRT-NRFANRHFSA-N 409.530 3.109 0 40 HGAB C[C@H](C(=O)NC[C@@H]1CCCO1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 22802928 PEJQQWSGFYYBAL-OFNKIYASSA-N 407.558 3.077 0 40 HGAB C[C@H](OC(=O)c1cnn(C)c1-n1cccc1)C(=O)Nc1ccc(Br)cc1 27139196 OUHMXFFCSGUKIU-LBPRGKRZSA-N 417.263 3.157 0 40 HGAB O=C1OCCN1c1cccc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)c1 31720020 JMNBWPJKAQQSOS-UHFFFAOYSA-N 402.350 3.343 0 40 HGAB COc1ccccc1N1C(SCc2cccc(F)c2)=N[C@@H]2CS(=O)(=O)C[C@H]21 32639851 OPNUPEKGGCYBGE-NVXWUHKLSA-N 406.504 3.109 0 40 HGAB CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1cccc(OC[C@@H]2CCCO2)c1 32776862 HZJCIYOMZMSRBZ-REWPJTCUSA-N 421.497 3.412 0 40 HGAB O=C(c1cccs1)[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@H]2CCCN12 35426584 GSWJGDVCOGRWDV-DZUCGIPZSA-N 400.887 3.237 0 40 HGAB O=C(C1=C(c2ccccc2)S(=O)(=O)CCO1)N(Cc1ccccc1)c1ccccn1 35673194 KKHMTCLVVMGZEA-UHFFFAOYSA-N 420.490 3.429 0 40 HGAB CCn1nnc(NC(=S)NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3)o2)n1 38199877 FFHOVUBBHMNASY-CSKARUKUSA-N 402.867 3.133 0 40 HGAB CONS(=O)(=O)c1ccc(C(=O)N2CCC(CCc3ccc(C)cc3)CC2)cc1 40106525 QOGSDLFABFXMPK-UHFFFAOYSA-N 416.543 3.320 0 40 HGAB O=C(NCc1cccnc1OC1CCCC1)c1cccc(NC(=O)[C@@H]2CCCO2)c1 48362119 VAJZELHRVGNBQY-FQEVSTJZSA-N 409.486 3.451 0 40 HGAB NC(=O)c1cccc(OC(=O)C[C@H]2Sc3ccc(C(F)(F)F)cc3NC2=O)c1 51829204 PXWSZAVAFAORES-CQSZACIVSA-N 410.373 3.213 0 40 HGAB Cc1cccc(C)c1NC(=O)Cn1c(-c2cccc(F)c2)nc(C)c(CCO)c1=O 67316763 HCXHHTMZSCLHFA-UHFFFAOYSA-N 409.461 3.148 0 40 HGAB O=C(NCc1ccc(F)cc1)c1cn(-c2ccc(-c3nc(C4CC4)no3)cn2)cn1 71768276 PPGOVKFBDSKQRP-UHFFFAOYSA-N 404.405 3.264 0 40 HGAB O=C(CCOc1ccccc1)N1CCC[C@H](C(=O)N2CCC[C@@H]2c2ccncc2)C1 71820835 UNNQQXGVGPWLLG-RBBKRZOGSA-N 407.514 3.453 0 40 HGAB O=S1(=O)CC[C@H](c2nnc(C3(c4cccc(C(F)(F)F)c4)CCOCC3)o2)C1 71889889 YPGODNWMPIKTMX-LBPRGKRZSA-N 416.421 3.087 0 40 HGAB Cc1sc(NC(=O)[C@@H](C)CS(C)(=O)=O)nc1-c1ccc(OC(F)F)cc1 72309546 HYEIPEVQLZAQHZ-VIFPVBQESA-N 404.460 3.339 0 40 HGAB Cn1ccnc1[C@@H](O)c1cccc(F)c1N1CCN(Cc2cccc(F)c2F)CC1 72340606 LJLQRAIVSYRESA-NRFANRHFSA-N 416.447 3.241 0 40 HGAB CC[C@H](C)NC(=O)CN1CCC[C@H](c2c(-c3cc(C)no3)cnc3cc(C)nn23)C1 72342820 RIAIWMRSZSTERK-YOEHRIQHSA-N 410.522 3.095 0 40 HGAB CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[C@@H](c2ccnc3nccn23)C1)c1ccccc1 72360651 GULOGFYHBWXRTA-MJGOQNOKSA-N 421.501 3.311 0 40 HGAB CC(C)CCc1ccc(S(=O)(=O)N2CCOc3ccc(S(C)(=O)=O)cc32)cc1 89821182 VYONHUBFAMBUHG-UHFFFAOYSA-N 423.556 3.266 0 40 HGAB Cc1nc(C)c(C(=O)N2CCOC[C@@H]2c2c(C)nn(CC(F)(F)F)c2C)s1 96002534 UQPZPJABVNNNQN-CYBMUJFWSA-N 402.442 3.349 0 40 HGAB CC(=O)N[C@H](C)c1cccc(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2C)c1 96191728 BWMVMYWLQOHLJC-OAHLLOKOSA-N 415.515 3.120 0 40 HGAB CCn1[nH]c(=O)/c(=N\c2c(C)n(C)n(-c3ccccc3)c2=O)cc1-c1ccc(C)cc1 100141770 MDUDILKXVVHMGO-QQTULTPQSA-N 415.497 3.202 0 40 HGAB Cc1cc(C)n2c(S[C@H]3CC(=O)N(c4cccc(C(F)(F)F)c4)C3=O)nnc2n1 102242833 CHGJPOFIUPEWGJ-ZDUSSCGKSA-N 421.404 3.184 0 40 HGAB C[C@@H]1CCN(C(=O)CN2C(=O)N[C@@]3(CCCC[C@H]3C)C2=O)c2ccccc2S1 195528616 GGFKATDCBPMOHP-VTJXTGGHSA-N 401.532 3.405 0 40 HGAB CCCC(=O)N(Cc1ccc(F)cc1)[C@H](C)C(=O)NCc1ccc2c(c1)OCO2 222909063 KSLBSBBDRAZAPH-OAHLLOKOSA-N 400.450 3.388 0 40 HGAB COc1ccc(-c2ncc(C(=O)N3CCN(Cc4ccccc4)CC3)c(C)n2)cc1 223144498 DECJLHHFKXUYOR-UHFFFAOYSA-N 402.498 3.419 0 40 HGAB Cc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCN(C)C)nc1 223215282 OLTHXGWYXSOHGT-FCHUYYIVSA-N 420.586 3.500 0 40 HGAB CN(C)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(Br)cs1 223253966 VCMLZQUYVZIYFS-CABCVRRESA-N 411.394 3.440 0 40 HGAB COc1ccc(CN(C(C)=O)[C@@H](C(=O)NCc2ccncc2)c2ccccc2)cc1 223543029 FWOLVSGBNXSXDD-HSZRJFAPSA-N 403.482 3.496 0 40 HGAB Cc1cccc(N(CC(=O)Nc2nnc(-c3ccccc3)s2)S(C)(=O)=O)c1C 223666028 BZIMIDSXVYGUKK-UHFFFAOYSA-N 416.528 3.227 0 40 HGAB COc1ccc(C)cc1NS(=O)(=O)c1nnc(NC(=O)c2ccc(C)cc2)s1 223945829 LBUMBIIRXWQOAK-UHFFFAOYSA-N 418.500 3.217 0 40 HGAB COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)N(c1ccc(F)c(F)c1)S(C)(=O)=O 224072704 RUMUEDLOEGVQGL-CHWSQXEVSA-N 412.458 3.005 0 40 HGAB CS(=O)(=O)N(CC(=O)Nc1ccc(N2CCCCC2)cc1)c1ccc(F)cc1F 224971094 FARNBTCSNMECLW-UHFFFAOYSA-N 423.485 3.360 0 40 HGAB CCc1ccc([C@@H](C)NS(=O)(=O)c2ccc(OC)c(C(=O)NC(C)C)c2)cc1 225208355 DWKKZCWMXKJKNB-OAHLLOKOSA-N 404.532 3.435 0 40 HGAB Cc1ccc(OC[C@@H](C)NC(=S)Nc2cccc(N(C)S(C)(=O)=O)c2)cc1C 225790412 WOTRICUMOFSZFT-MRXNPFEDSA-N 421.588 3.453 0 40 HGAB CCOc1ccc(NC(=O)[C@@]2(C)CCN(c3ccc(OC)cc3)S2(=O)=O)cc1 225950023 ORECKGMLJRKUBF-HXUWFJFHSA-N 404.488 3.031 0 40 HGAB CC(=O)N1CCC(Cc2cccc(F)c2)(C(=O)N2CCC(c3cnccn3)CC2)CC1 257205409 AYWWMUVZSIXAIO-UHFFFAOYSA-N 424.520 3.193 0 40 HGAB CCOc1cccc2c1OC(C)(C)[C@H]1C[C@H]3CN(C(=O)CCC(=O)O)CC[C@@H]3O[C@H]21 257266905 MFBZLCKYJMHRBO-WFNJMBFTSA-N 417.502 3.416 0 40 HGAB Cc1nc([C@H]2CCCN(C(=O)c3cccc(F)c3)C2)nc(C)c1CC(=O)NC1CC1 257271904 NAGYADTWHYUGOJ-KRWDZBQOSA-N 410.493 3.073 0 40 HGAB Cc1nc2c(C)cccc2cc1C(=O)N1CCC[C@](C)(C(=O)NCc2nonc2C)C1 257330966 XQUSBEAQLSZTDC-QHCPKHFHSA-N 421.501 3.102 0 40 HGAB O=C(Nc1ccccc1)c1nnc2n1C[C@@H]1CN(Cc3cccc(Cl)c3)C[C@H]1C2 306143051 XRTUHKRTKKHDMO-SJORKVTESA-N 407.905 3.488 0 40 HGAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccc(F)c(Cl)c2)cc1Cl 408560303 OJRAFJVOMIZJOR-VIFPVBQESA-N 421.277 3.447 0 40 HGAB CC1=CC[C@@H]2C(=O)N(c3cccc(C(=O)Nc4cccc(C(=O)O)c4)c3)C(=O)[C@H]2C1 408683409 MURAMHVSNUFCMY-OALUTQOASA-N 404.422 3.483 0 40 HGAB O=C(N[C@@H]1C(=O)N/[N+](=C\c2ccccc2)[C@H]1c1ccc(Cl)cc1)c1ccccc1 409061248 YKQRUXYMWNLIAA-UGYRXPJGSA-O 404.877 3.356 0 40 HGAB C[C@H](c1ccccc1)N1C[C@@H](C(=O)N2CC[C@H](n3ncc4ccccc43)C2)CC1=O 510912538 MKDVGBOXMUOHRT-QMMLZNLJSA-N 402.498 3.419 0 40 HGAB COc1cc2c(cc1OC)[C@@H](CC(=O)O)N(C(=O)c1cccc3ncccc13)CC2 554286770 SGEJJVNHYHTPEA-LJQANCHMSA-N 406.438 3.466 0 40 HGAB O=C(c1noc2c1CCCC2)N1CC[C@@H](c2ccccc2Cl)S(=O)(=O)CC1 575414697 JLHRHVCIODSVOM-KRWDZBQOSA-N 408.907 3.209 0 40 HGAB Cc1cccc(Nc2cc(C[C@H]3CCCN(C(=O)/C=C/c4ccnn4C)C3)ncn2)n1 585291409 CIGOVDFKHWTIKE-GFOMBABLSA-N 417.517 3.152 0 40 HGAB CON(S(=O)(=O)c1ccc(SC)cc1)S(=O)(=O)c1ccc(SC)cc1 1428449 XGXCXMWTRCCBDW-UHFFFAOYSA-N 419.571 3.071 0 40 HGAB O=C(COC(=O)CCN1C(=O)c2ccccc2C1=O)Nc1cc(Cl)ccc1Cl 1941552 UDQBBIUOBBSFED-UHFFFAOYSA-N 421.236 3.161 0 40 HGAB Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)n1 2369159 PPWOOCYHOJSGDX-UHFFFAOYSA-N 402.863 3.492 0 40 HGAB O=C(C[C@H]1SC(N2CCOCC2)=NC1=O)Nc1ccc(Cl)c(C(F)(F)F)c1 2646387 PMKGAQLHYBADKF-GFCCVEGCSA-N 421.828 3.018 0 40 HGAB CCN(CC)C(=O)c1sc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)O)c(C(=O)OC)c1C 2767190 HRCJAIVIUFVPCU-CHWSQXEVSA-N 424.519 3.155 0 40 HGAB COC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc(OC)c(OC)c2)N1C(C)=O 3136022 RVPFBYKTOAVCLZ-GCJKJVERSA-N 408.454 3.221 0 40 HGAB biogenic CNC(=O)NC(=O)[C@@H](Sc1nnc(C2CC2)n1-c1ccccc1)c1ccccc1 3558328 DFKOWMABQNEZMH-KRWDZBQOSA-N 407.499 3.434 0 40 HGAB COc1ccc(-c2nnc(NC(=O)Cc3ccc(OC)c(OC)c3)s2)c(OC)c1 4087742 VCDKFLFDOKWHRB-UHFFFAOYSA-N 415.471 3.421 0 40 HGAB C[C@@H]1CCCC[C@H]1NC(=O)CSc1nnc(-c2ccncc2)n1CCCN(C)C 4130375 RBTROSDHSMXYNG-SJLPKXTDSA-N 416.595 3.079 0 40 HGAB CC(C)(C)c1ccc(C(=O)Oc2cc(N)n(S(=O)(=O)c3ccc(F)cc3)n2)cc1 4251547 QWISNDFUUISSQC-UHFFFAOYSA-N 417.462 3.358 0 40 HGAB Cc1cc(Cl)ccc1OCC(=O)N(Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 5091674 XDHBCFZEIKWELJ-SFHVURJKSA-N 407.919 3.243 0 40 HGAB O=C(/N=c1\sn(-c2ccc(Cl)cc2)nc1C(=O)N1CCCC1)c1ccco1 5274601 SNBIXQPMLXTEGY-JZJYNLBNSA-N 402.863 3.157 0 40 HGAB NC(=O)C1CCN(C(=O)CSc2nc(-c3cccs3)nc3ccccc23)CC1 5288256 SBYNHFZGVWASPK-UHFFFAOYSA-N 412.540 3.174 0 40 HGAB C[C@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)NCCc2ccccn2)c1 5688881 INOYFRWUVAQTDC-KRWDZBQOSA-N 421.522 3.194 0 40 HGAB CCOC(=O)c1ccc(S(=O)(=O)Nn2cc(-c3ccccc3)[nH]c2=S)cc1 6206774 DZDKLXWZEGKLGK-UHFFFAOYSA-N 403.485 3.322 0 40 HGAB COC(=O)COc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1C 6348440 OYWHAXFRHWFVJA-UHFFFAOYSA-N 414.277 3.110 0 40 HGAB O=C(NC(=S)Nc1nc2ccc(N3CCOCC3)cc2s1)c1ccccc1F 6548326 IWGYBPJUJYIYJS-UHFFFAOYSA-N 416.503 3.399 0 40 HGAB O=C(CSc1nnc(-c2ccc3c(c2)OCO3)o1)c1nnc(-c2ccccc2)o1 6566657 ZIRADWAOXXINRK-UHFFFAOYSA-N 408.395 3.490 0 40 HGAB C[C@H]1Cc2ccccc2N1C(=O)CN(C)CC(=O)Nc1ccc(OC(F)(F)F)cc1 6578606 JNRYHGFNCSXXQZ-AWEZNQCLSA-N 421.419 3.433 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)OCCOc3cccc(C)c3)CC2)cc1 6627973 HTUBLDHFJQUAOO-UHFFFAOYSA-N 417.527 3.326 0 40 HGAB CN1C(=O)/C(=N/Nc2nc(Nc3ccccc3)nc(N3CCCC3)n2)c2ccccc21 6949936 SETWFJBTIKTFRQ-OVVQPSECSA-N 414.473 3.008 0 40 HGAB O=C(CCNC(=O)c1ccc(Cl)cc1)O[C@H](C(=O)N1CCCC1)c1ccccc1 7112541 JIFZPZRBWIGERA-FQEVSTJZSA-N 414.889 3.367 0 40 HGAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)Cc2cc(C(C)=O)ccc2OC)c1 7473559 FRVWGIRNDDDYGW-UHFFFAOYSA-N 418.515 3.110 0 40 HGAB CC1CCC(N(C)C(=O)COC(=O)c2ccccc2SCC(=O)N(C)C)CC1 7938998 ZKWZUALXPHGKAI-UHFFFAOYSA-N 406.548 3.061 0 40 HGAB C[C@H]1Cc2cc(C(=O)N3CCC(Cc4ccccc4)CC3)ccc2N1S(C)(=O)=O 8072002 OVUZDTYUXUQHJT-KRWDZBQOSA-N 412.555 3.492 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NC[C@@H](C)c3ccccc3)C2)cc1 8304042 RBEZMXAOPGCPTK-MJGOQNOKSA-N 416.543 3.016 0 40 HGAB CCc1ccc(NC(=O)[C@H](CCSC)NC2=NS(=O)(=O)c3ccccc32)cc1 8735341 MPHBFKHOYZGSEP-KRWDZBQOSA-N 417.556 3.048 0 40 HGAB O=C1NC(=O)[C@@]2(Cc3c(Cl)cccc3N3CCC[C@@H]32)C(=O)N1CCc1ccccc1 9433970 PFQSRJCZJHOWCJ-XXBNENTESA-N 423.900 3.172 0 40 HGAB COc1ccc(Nc2nc(Nc3cccc(C(C)=O)c3)nc(N3CCOCC3)n2)cc1 9708893 OXKAUTNPVDSHRJ-UHFFFAOYSA-N 420.473 3.407 0 40 HGAB CCNC(=O)c1cc(S(=O)(=O)Nc2ccccc2Br)ccc1OC 10008878 DEPOKMGVNDFXAR-UHFFFAOYSA-N 413.293 3.008 0 40 HGAB COc1ccc(N([C@H](C)C(=O)N2c3ccccc3C[C@@H]2C)S(C)(=O)=O)cc1Cl 10449923 DYEFDCBAYYMXKD-UONOGXRCSA-N 422.934 3.481 0 40 HGAB CCOC(=O)C1CCN(C(=O)c2nc(-c3cccs3)n(-c3ccccc3)n2)CC1 11660049 FQMDWBYUYZQXQC-UHFFFAOYSA-N 410.499 3.411 0 40 HGAB CC1(C)Cc2nc(-c3cnccn3)ncc2[C@@H](NC(=O)Cc2ccc3c(c2)OCO3)C1 12239088 IUTSCSROBCJLDB-INIZCTEOSA-N 417.469 3.035 0 40 HGAB Cc1cc(C)cc(C(=O)NCC(=O)N[C@H](c2ccc(Cl)cc2)c2nccn2C)c1 12560370 AQAWKOHLPMBIOA-HXUWFJFHSA-N 410.905 3.326 0 40 HGAB CSc1ncc(CN2CCc3nc4cc(-c5ccoc5C)nn4c(O)c3C2)cn1 12667897 IBCKXXWNMIDENY-UHFFFAOYSA-N 408.487 3.074 0 40 HGAB COC(=O)c1cnc(NC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)s1 12890290 KSGPYYCPVUKUTP-LBPRGKRZSA-N 407.879 3.074 0 40 HGAB CSc1cccc(N2C[C@H](C(=O)O[C@@H](C(=O)NC3CC3)c3ccccc3)CC2=O)c1 12943395 HNUPMLIFGFBNEV-IIBYNOLFSA-N 424.522 3.325 0 40 HGAB CCc1ccccc1NC(=O)CN(C)C(=O)[C@@H]1CCCN(C(=O)c2cccs2)C1 13008884 FEGYEXMOHBNLTO-QGZVFWFLSA-N 413.543 3.260 0 40 HGAB CCN(CC(=O)Nc1ccccc1OC)Cc1nc2cc(Cl)ccc2c(=O)[nH]1 13058116 XGFVXJAGVNCOGZ-UHFFFAOYSA-N 400.866 3.046 0 40 HGAB Cc1ccc2c(c1)C(=O)C[C@H]([C@H]1CCCN(C(=O)CSc3nnc(C)o3)C1)O2 13227488 YFBPZGGSQWDPMV-KBXCAEBGSA-N 401.488 3.051 0 40 HGAB Cc1cccc(N(CC(=O)NCCCOC(C)C)S(=O)(=O)c2ccccc2)c1 14412957 NBLQJZZNLVQZRM-UHFFFAOYSA-N 404.532 3.122 0 40 HGAB Cc1cc(C)nc(S[C@H](C)C(=O)N2CCC[C@H](c3nc(-c4cccnc4)no3)C2)n1 19118829 JKTNPLXWARARNX-WBVHZDCISA-N 424.530 3.425 0 40 HGAB Cc1ccc(O[C@H](C)C(=O)N2CC[C@@H](c3cc(=O)[nH]c(-c4ccncc4)n3)C2)cc1C 19214118 LDEHMACBURTFMO-IEBWSBKVSA-N 418.497 3.232 0 40 HGAB O=C(c1ccc(CN2CCCCC2)cc1)N1CCC[C@H](c2n[nH]c3nccnc23)C1 19334136 QTLHYTPIMZXBFS-IBGZPJMESA-N 404.518 3.359 0 40 HGAB CCNC(=O)[C@]1(Cc2ccccc2-c2ccsc2)CN(C(=O)C(C)C)CCO1 19529217 MLAGRGQUDQMMCF-QFIPXVFZSA-N 400.544 3.347 0 40 HGAB O=C(Cn1c(CN2CCOCC2)nc2ccccc21)N1CCc2cc(Cl)ccc21 19656290 VEOZIEQHCRIMHZ-UHFFFAOYSA-N 410.905 3.111 0 40 HGAB CNS(=O)(=O)c1ccc(F)c(C(=O)Nc2cccc(CN3CCCC[C@@H]3C)c2)c1 19659629 VRDPBBQOCQEQBL-HNNXBMFYSA-N 419.522 3.361 0 40 HGAB CCc1ccc2nc(Nc3nc(CSc4ncccn4)cc(=O)[nH]3)nc(C)c2c1 19817387 GXZJQTGYNGKVHI-UHFFFAOYSA-N 405.487 3.410 0 40 HGAB O=C(Nc1ccc(F)c(F)c1)[C@H]1CCCN(S(=O)(=O)Cc2ccc(F)cc2)C1 19863136 NDQFBOSDFRRXLC-AWEZNQCLSA-N 412.433 3.284 0 40 HGAB CC(C)Oc1ccc(CNC(=O)[C@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)cc1 20483389 LDFYXOWYQHJPKZ-HNNXBMFYSA-N 408.495 3.084 0 40 HGAB COC(=O)CSc1nc2nc3c(cn2n1)C(=O)C[C@H](c1ccc(C(C)C)cc1)C3 20671739 SSENZEKGQZZVMY-OAHLLOKOSA-N 410.499 3.426 0 40 HGAB CC(C)Cc1nn2c(=O)cc(CSc3nnc(NC(=O)C(C)C)s3)nc2s1 20983751 MTGGBDSVEDLPML-UHFFFAOYSA-N 424.577 3.088 0 40 HGAB CC(C)CNC(=O)c1ccccc1NC(=O)COC(=O)c1ccc(-n2cccn2)cc1 21471429 MZYCDMKRHXEELY-UHFFFAOYSA-N 420.469 3.054 0 40 HGAB C[C@H](C(=O)Nc1ccc2ccccc2c1)N1CCN(CC(=O)N2CCCCCC2)CC1 22788590 WOLSOJHDSSINKM-HXUWFJFHSA-N 422.573 3.187 0 40 HGAB COc1ccc(OC)c(CN2CCN(Cn3nc(-c4ccco4)oc3=S)CC2)c1 22874550 XSTQRRMSSHXRNE-UHFFFAOYSA-N 416.503 3.258 0 40 HGAB CCOC(=O)c1sc(N(Cc2ccccc2)C(=O)COC(=O)[C@H]2C[C@H]2C)nc1C 23514819 QDGWGYDAENGDOE-CJNGLKHVSA-N 416.499 3.361 0 40 HGAB Cc1ccc(NC(=O)CN(C)S(=O)(=O)c2cccc(OC(F)(F)F)c2)cc1 24767223 HOKYPCKGARXGKD-UHFFFAOYSA-N 402.394 3.153 0 40 HGAB Fc1ccc(-n2c(Sc3ccc4nnnn4n3)nnc2-c2ccccc2)c(F)c1 24841593 ZSAYBDQKNQDXMU-UHFFFAOYSA-N 408.397 3.196 0 40 HGAB CCc1cccc(NC(=O)CNC(=O)c2ccccc2I)c1 24990324 XMPGMMIKJJRRRG-UHFFFAOYSA-N 408.239 3.222 0 40 HGAB COc1cc(NC(=O)c2ccc(-c3nc(C)no3)cc2)c(C(=O)N(C)C)cc1OC 25221231 DHUCITFJAGZEGU-UHFFFAOYSA-N 410.430 3.016 0 40 HGAB CC(C)(C)C(=O)NCC(=O)Nc1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1 30121552 TXVQQXPMOYQWJL-UHFFFAOYSA-N 423.922 3.242 0 40 HGAB O=C1C(=O)N(CN2CCN(Cc3csc(-c4ccccc4)n3)CC2)c2ccccc21 32771161 BUBLTEWIMGSRQU-UHFFFAOYSA-N 418.522 3.115 0 40 HGAB CC(=O)Nc1cccc(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2C)c1 39546087 PPSGNTZQZVQZSK-UHFFFAOYSA-N 415.515 3.380 0 40 HGAB Cc1nc(-c2ccc(CNC(=O)[C@@H]3CC(=O)N(CCc4ccccc4)C3)o2)cs1 40012240 OOJGULVIXTUMLP-QGZVFWFLSA-N 409.511 3.419 0 40 HGAB C[C@@H](Oc1ccc(C(=O)NN2C(=O)NC3(CCCCC3)C2=O)cn1)c1ccccc1 40143674 FBXABZKAASHUFF-OAHLLOKOSA-N 408.458 3.121 0 40 HGAB COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)c1ccc(-c2cnco2)cc1 40150832 QTFFURUUAOPXLY-UHFFFAOYSA-N 407.426 3.217 0 40 HGAB Cc1cc(NC(=O)[C@H]2CC(=O)N(CCc3ccccc3)C2)ncc1Br 40400634 XWECYFZOAUWDFG-HNNXBMFYSA-N 402.292 3.182 0 40 HGAB Cc1ccc(Cn2nnc3c(=O)n(CC(=O)Nc4cccc(C(C)C)c4)cnc32)cc1 40478036 MPNNTCRLZADJNH-UHFFFAOYSA-N 416.485 3.107 0 40 HGAB COC(=O)C1=C(C)N(C[C@@H]2CCCO2)C(=O)N[C@H]1c1csc(Br)c1 45712464 CADQLFMYOYECIQ-FZMZJTMJSA-N 415.309 3.203 0 40 HGAB Cc1cc(C)cc(C(=O)NC2CCN(C(=O)c3cn(-c4ccccc4C)nn3)CC2)c1 49405903 NLBRCBRHLJPHSG-UHFFFAOYSA-N 417.513 3.227 0 40 HGAB CCOC(=O)[C@@H]1CCCN(Cc2nc(-c3ccc(N4CCCCCC4)nc3)no2)C1 49409684 DCJDECYMIUATSS-GOSISDBHSA-N 413.522 3.287 0 40 HGAB O=C(Cn1nc(-c2ccc(Br)cc2)ccc1=O)NC[C@H]1C[C@@H]2C=C[C@H]1C2 49544205 MICFIKJFOXBJPF-VNQPRFMTSA-N 414.303 3.001 0 40 HGAB O=C(NCCNc1nc2ccccc2s1)[C@@H]1CCCN1C(=O)C1CCCCC1 52564430 QZFCACHJLRFYGP-KRWDZBQOSA-N 400.548 3.396 0 40 HGAB COc1ccc(CNS(=O)(=O)c2cc(Cl)ccc2Cl)c(OC)c1OC 56105273 OTRZXVJCNFNZMU-UHFFFAOYSA-N 406.287 3.498 0 40 HGAB COc1cc2[nH]c3c(N4CCN(Cc5ccccc5)CC4)ncnc3c2cc1OC 57063779 MJRUJTNWRJGKKO-UHFFFAOYSA-N 403.486 3.451 0 40 HGAB CCOc1ccc(S(=O)(=O)NC[C@H](O)c2ccc(C(F)(F)F)cc2)cc1C 70640140 WGCVUWGQVZEZGE-INIZCTEOSA-N 403.422 3.424 0 40 HGAB O=S(=O)(NC[C@](O)(c1ccccc1)C1CC1)c1ccc(OC(F)(F)F)cc1 70968279 BNFJHMBQJPPUDE-KRWDZBQOSA-N 401.406 3.161 0 40 HGAB Cc1c(C(=O)Nc2ccc(F)c(F)c2)nnn1CC(=O)NCc1ccccc1Cl 71327100 WQJWYPRKKLMWFT-UHFFFAOYSA-N 419.819 3.087 0 40 HGAB Cc1nn(C)cc1-c1cc(C(=O)N2CCC([C@H]3CC(=O)c4ccccc4O3)CC2)no1 72336682 SRWRLNSOLYLDDH-OAQYLSRUSA-N 420.469 3.270 0 40 HGAB CNC(=O)c1ccc(-c2ccc(C3CCN(C(=O)[C@@H]4CC45CCC5)CC3)nc2)cn1 72374136 DVGYDFFJZDKTHY-IBGZPJMESA-N 404.514 3.399 0 40 HGAB COc1ccc(OC)c2nc3c(cc12)CN(CCc1ccc2c(c1)OCO2)CCO3 72392273 UHQPDYCEDUWDRS-UHFFFAOYSA-N 408.454 3.418 0 40 HGAB COc1ccc(C(=O)OC[C@H]2CCCN2[C@@H](C)C(=O)OC(C)(C)C)c(OC)c1OC 79046525 KNULHXRVYDYISX-LSDHHAIUSA-N 423.506 3.064 0 40 HGAB O=S(=O)(c1ccc(OCCCSCc2ccccc2)cc1)N1CCOCC1 95445240 ZXCBEMWSUGFBIM-UHFFFAOYSA-N 407.557 3.410 0 40 HGAB COc1cccc2c1ccn2CCNC(=O)c1ccc(-c2nnn(C(C)C)n2)cc1 95478257 IHJKHEPVZCWGNK-UHFFFAOYSA-N 404.474 3.314 0 40 HGAB COc1ccc(Br)c(C(=O)N2CC[C@@H](S(=O)(=O)c3ccccc3)C2)c1 96025378 GPLRYNVHHQHEDK-OAHLLOKOSA-N 424.316 3.146 0 40 HGAB COc1ccc(CN2CCC3(CC2)CC[C@@]2(C(=O)N4CCCC4)CN(C)C[C@@H]32)cc1 96036303 SAUCLZOVGMRBTI-WIOPSUGQSA-N 411.590 3.242 0 40 HGAB Cc1cc(NC(=O)[C@H]2Oc3c(c(=O)oc4ccccc34)[C@H]2c2cccc(O)c2)no1 96115670 ZUZAQNUBYULKHZ-XLIONFOSSA-N 404.378 3.327 0 40 HGAB biogenic Cc1nn(C)c(C)c1-c1cc(C(=O)NCCCCCc2nc3ccccc3[nH]2)[nH]n1 96118627 IDEBXGQOHNUWKB-UHFFFAOYSA-N 405.506 3.446 0 40 HGAB O=C(Cn1nc(-c2cccc3ccccc23)ccc1=O)NC[C@H]1CC[C@H](C(=O)O)CC1 101691469 RMZBFTXUMFPUPF-MAEOIBBWSA-N 419.481 3.071 0 40 HGAB O=C(Nc1cccc(OC(F)F)c1)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO 107148811 SJZWHCIWHXUESG-APWZRJJASA-N 405.445 3.293 0 40 HGAB CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@@H]2[C@@H]2C=CC=NN21 138036063 PBCZZUVKQDBLBP-JJXSEGSLSA-N 420.296 3.323 0 40 HGAB O=S(=O)(NCc1ccc([C@@H](O)c2ccsc2)s1)c1ccc2c(c1)OCCO2 207967281 RAUISCMOQXGXIL-SFHVURJKSA-N 423.537 3.141 0 40 HGAB CN(CC(=O)N[C@@H]1CC(C)(C)Oc2ccccc21)S(=O)(=O)c1ccc(Cl)cc1 219696900 KCXHFELLAAONPI-QGZVFWFLSA-N 422.934 3.379 0 40 HGAB Cc1cccc(N(CCCC(=O)NCCSCc2ccco2)S(C)(=O)=O)c1C 222631059 UUBNPURGAXUZEJ-UHFFFAOYSA-N 424.588 3.492 0 40 HGAB COC(=O)c1ccc(OC)c(NS(=O)(=O)c2ccc3cc(OC)ccc3c2)c1 222672527 FNLRZADWELDTAB-UHFFFAOYSA-N 401.440 3.444 0 40 HGAB C[C@H](C(=O)NCc1ccccn1)N(Cc1ccccc1)C(=O)COc1ccccc1 222774904 LSYYXWVKBSIPOX-LJQANCHMSA-N 403.482 3.194 0 40 HGAB CSc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc(OC(C)C)c2)cc1 223318443 ACLVWIQLZVQNQZ-UHFFFAOYSA-N 408.545 3.455 0 40 HGAB O=C(O)c1ccccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)o1 223631259 PBBIVIUYEODRBC-WOJBJXKFSA-N 423.494 3.395 0 40 HGAB CCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CCc1ccc2c(c1)OCCO2 223634066 ORACVJFEAAOOJR-GOSISDBHSA-N 410.514 3.252 0 40 HGAB CCCc1ccc(OCCNC(=O)CN(c2c(C)cccc2C)S(C)(=O)=O)cc1 223691642 LQDOGVHNEWQXJV-UHFFFAOYSA-N 418.559 3.217 0 40 HGAB O=C(C1CC1)N1CCc2cc(S(=O)(=O)NC34CC5CC(CC(C5)C3)C4)ccc21 223968364 VPYABXJZHQRGOX-UHFFFAOYSA-N 400.544 3.233 0 40 HGAB COc1ccc(S(=O)(=O)NCCOc2ccc(C)cc2C)cc1Br 223978526 YUGKBIFJABHVBL-UHFFFAOYSA-N 414.321 3.432 0 40 HGAB C[C@H](C(=O)Nc1ccc(N2CCCC2)cc1)N(c1ccc(F)cc1)S(C)(=O)=O 224913077 PJLXMFPPHVOLGC-OAHLLOKOSA-N 405.495 3.219 0 40 HGAB Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)N[C@@H](C)c3ccc(F)cc3)s2)cc1 225344085 FAFSGUOTFPYHKN-LBPRGKRZSA-N 420.491 3.277 0 40 HGAB CS(=O)(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccco2)cc1 225384712 FILZJBHJMQWLLW-QZTJIDSGSA-N 414.512 3.223 0 40 HGAB COC(=O)c1cc(S(=O)(=O)Nc2nnc(-c3ccc(C)cc3)s2)ccc1C 225455254 RZECXLUHHYRMGY-UHFFFAOYSA-N 403.485 3.409 0 40 HGAB Cc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](C)CC(C)(C)c2ccccc2)cc1 225731798 FUOGFTUXOCTNKX-SFHVURJKSA-N 402.560 3.488 0 40 HGAB CCc1ccc(S(=O)(=O)N2CC[C@]3(C[C@H]3C(=O)NCc3cccs3)C2)cc1 253606382 ZOYGDGJIOCLLLX-ICSRJNTNSA-N 404.557 3.028 0 40 HGAB Cc1cnc(-c2nnc([C@@H]3CCCCN3S(=O)(=O)c3ccc(F)c(F)c3)o2)cn1 257249120 JGWUQOCBATVDQD-INIZCTEOSA-N 421.429 3.029 0 40 HGAB C[C@]1(C2CCN(C(=O)CCCc3cn[nH]c3)CC2)CN(Cc2ccccc2)C(=O)O1 257296257 RBYDCPGBADVQKO-HSZRJFAPSA-N 410.518 3.382 0 40 HGAB CCc1ccc(CN2C[C@@H]3Cc4nnc(C(=O)Nc5ccccc5)n4C[C@H]3C2)cc1 306144298 ZBTPUXQYSXDDDA-VQTJNVASSA-N 401.514 3.397 0 40 HGAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2cccc(SC)c2)cc1C 408621081 KYXTXUNABYYASI-CQSZACIVSA-N 408.545 3.421 0 40 HGAB C[C@@H]1C=CC[C@H]2C(=O)N(c3cccc(C(=O)Nc4cccc(C(=O)O)c4)c3)C(=O)[C@H]12 408669482 HESHQYVOKGKQPR-UPRAQXHNSA-N 404.422 3.339 0 40 HGAB O=C(CCC(=O)OCC(=O)Nc1ccc(Br)cc1)NCc1ccccc1 408670270 ZCQGCMIQZLAMKC-UHFFFAOYSA-N 419.275 3.027 0 40 HGAB COc1ccc(S(=O)(=O)N(CC(=O)NC2CCCC2)C2CCCCC2)cc1OC 409002845 BNDOSRIKVVYLGO-UHFFFAOYSA-N 424.563 3.086 0 40 HGAB CCOC1(c2nc([C@H]3CCCO3)no2)CCN(Cc2nc(-c3ccoc3)no2)CC1 583615836 AVGMMRGJAGGWDT-OAHLLOKOSA-N 415.450 3.092 0 40 HGAB Nc1ccc(C(=O)N2CCC3(CCCCc4ccccc4OCCOC3=O)CC2)cn1 643573729 LDUYYESMYDUIIM-UHFFFAOYSA-N 423.513 3.235 0 40 HGAB CNC(=O)CC1CCN(C(=O)c2cc(Nc3nc(C)cc(C)n3)ccc2Cl)CC1 1137214909 HHDCRJLOKLNVAD-UHFFFAOYSA-N 415.925 3.479 0 40 HGAB Cc1cc(C)n(-c2cc(N3CCN(c4cc(C(F)(F)F)ccn4)CC3)ncn2)n1 1888876491 FZBYBEKKGWEDTK-UHFFFAOYSA-N 403.412 3.020 0 40 HGAB O=S(=O)(c1ccc2ncsc2c1)N1CC2(C[C@H](N3CCCCC3)CS2)C1 2056224500 SPPCCKJDNSIGHZ-AWEZNQCLSA-N 409.602 3.031 0 40 HGAB COc1cccc(NC(=O)N[C@@H]2C[C@@H](c3nc(C)nn3-c3ccccc3)CC[C@H]2O)c1 2332241521 CICMTJKOOMJILF-ZLGUVYLKSA-N 421.501 3.403 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccc(C)cc2)cc1 675572 XNMYWPWVGTXVEK-UHFFFAOYSA-N 405.545 3.152 0 40 HGAB CCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)N(Cc2ccc(F)cc2)C1=S 2212613 JOTZFHBWWVMZCS-KRWDZBQOSA-N 403.454 3.311 0 40 HGAB COC(=O)c1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c2)c1 3410981 PCFOUJQRGWWNQX-UHFFFAOYSA-N 424.906 3.456 0 40 HGAB Cc1cc2oc(=O)cc(COC(=O)c3cccc(N4C(=O)CCC4=O)c3)c2cc1C 4352242 MKTGPTSRBPWWEM-UHFFFAOYSA-N 405.406 3.420 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(NC(=O)c2ccncc2)c1 4866888 UUZCJDCYLQXGKH-UHFFFAOYSA-N 416.547 3.355 0 40 HGAB COc1ccc(NC(=O)c2ccc(Cl)nc2)cc1S(=O)(=O)N1CCCCC1 5578741 UZDWKAZJQCWODO-UHFFFAOYSA-N 409.895 3.171 0 40 HGAB Cc1ccc(NC(=O)CN2C(=O)NC3(CCCCCC3)C2=O)c(Br)c1 6611982 JGXYMJTYFNQIFJ-UHFFFAOYSA-N 408.296 3.341 0 40 HGAB CC[C@H](C)NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(OC)c(C)c1 6707166 MCGWCWVKHNMTMC-KRWDZBQOSA-N 404.532 3.109 0 40 HGAB Cn1nc(CC(=O)N2CCC(c3nc4ccccc4s3)CC2)c2ccccc2c1=O 7312488 PEZIANIYUINENM-UHFFFAOYSA-N 418.522 3.492 0 40 HGAB CC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)Nc2ccc(OC)cc2)cc1C 7361871 FYGLYNPCAPLUCK-OAHLLOKOSA-N 406.504 3.098 0 40 HGAB CCN(C(=O)CN1C(=O)N[C@](CC)(c2ccc(OC)cc2)C1=O)c1ccc(F)cc1 7410712 WYNAWKBGTAMALL-JOCHJYFZSA-N 413.449 3.045 0 40 HGAB COc1ccc(CNC(=O)[C@H](CCSC)NC(=O)c2cccc(C)c2)cc1OC 7718390 KPQHZCSOBXSMDW-SFHVURJKSA-N 416.543 3.180 0 40 HGAB O=C(Cn1nnc2ccccc2c1=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1 7764042 YSVVQNCBGWQPAV-UHFFFAOYSA-N 417.391 3.049 0 40 HGAB COc1cc(/C=C2\N=C(c3ccc(C(C)(C)C)cc3)OC2=O)ccc1OCC(N)=O 8179206 FFNIPSWJGSOGCC-BOPFTXTBSA-N 408.454 3.201 0 40 HGAB Cc1ccccc1-c1nnc(SCC(=O)N(C)C[C@H]2COc3ccccc3O2)n1C 8987957 XXASGMVWERSEPK-INIZCTEOSA-N 424.526 3.181 0 40 HGAB CCN(c1ccccc1)S(=O)(=O)c1ccc(O[C@H](C)C(=O)N2CCCC2)cc1 9376656 MDBMEMSDXAHEQW-QGZVFWFLSA-N 402.516 3.292 0 40 HGAB CCSc1nnc(NC(=O)[C@@H](NC(=O)c2cc(OC)cc(OC)c2)C(C)C)s1 9715879 FCGIELZJHGVVRV-AWEZNQCLSA-N 424.548 3.060 0 40 HGAB COc1ccc(NC(=O)COC(=O)c2sc3nc(C)[nH]c(=O)c3c2C)cc1Cl 10146836 KUGRZFCEYOFTPQ-UHFFFAOYSA-N 421.862 3.059 0 40 HGAB CSc1nnc(SCC(=O)NCCC(c2ccccc2)c2ccccc2)n1N 10674087 BNMTXASTFIQOHY-UHFFFAOYSA-N 413.572 3.144 0 40 HGAB CSCC[C@@H](NS(=O)(=O)c1ccc(Br)c2ccccc12)C(=O)O 11635072 NKDDXNNITUYCGY-CYBMUJFWSA-N 418.334 3.087 0 40 HGAB O=C(Cc1ccc2c(c1)OCO2)Nc1nnc(-c2ccc(Br)s2)o1 11695489 PUQOKCBQIMOKKD-UHFFFAOYSA-N 408.233 3.471 0 40 HGAB CCOc1cc(CCC(=O)N2CCC[C@H](c3nc4ccccc4cc3C(N)=O)C2)on1 12256025 GPGGZIOHHAZEFO-INIZCTEOSA-N 422.485 3.059 0 40 HGAB CCn1c(S[C@@H]2CCCC2=O)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 12629101 YNXXQMMZSAHCJH-GOSISDBHSA-N 407.561 3.445 0 40 HGAB O=C(CSc1nc2ccccc2s1)Nc1cccc(S(=O)(=O)NC2CC2)c1 12906030 ZTOBYLFWYBRFIP-UHFFFAOYSA-N 419.553 3.468 0 40 HGAB O=C(Nc1ccc(F)cc1)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 12920161 OOYBZXJQQOMKNM-UHFFFAOYSA-N 402.491 3.354 0 40 HGAB O=C(COc1ccc(Cl)cc1Br)N[C@H](Cc1ccccc1)C(=O)O 13394427 GVYAIQGVYGZVGQ-CQSZACIVSA-N 412.667 3.293 0 40 HGAB COc1ccc2oc(=O)c(-c3ccc(OCC(=O)N4CCSCC4)cc3)cc2c1 13684490 ZHGKMYKVPOQNOW-UHFFFAOYSA-N 411.479 3.423 0 40 HGAB COc1ccc(N2C[C@@H](c3nnc(NC(=O)Cc4cccs4)s3)CC2=O)cc1 13944354 WLNFEPGUBYBPLJ-LBPRGKRZSA-N 414.512 3.310 0 40 HGAB O=C(NCCc1ccc(C(F)(F)F)cc1)c1ccc(S(=O)(=O)NC2CC2)cc1 14198375 SEDONKDTEIYZLN-UHFFFAOYSA-N 412.433 3.119 0 40 HGAB O=C1CN(C(=O)c2ccccc2Cl)C[C@H](OCC2CC2)CN1Cc1cccnc1 14533820 GZROGXGNVKTDNT-GOSISDBHSA-N 413.905 3.015 0 40 HGAB C[C@@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)c1ccc(S(C)(=O)=O)cc1 15358956 MUAYYCVKGWCCJM-SNVBAGLBSA-N 408.328 3.436 0 40 HGAB Cc1ccc(C)c(S(=O)(=O)NCc2nnc3c(Cl)cc(C(F)(F)F)cn23)c1 16808005 JCWBVQROGYPGBJ-UHFFFAOYSA-N 418.828 3.497 0 40 HGAB Cc1cc(N2CCN(C(=O)c3ccc(Cn4cncn4)cc3)CC2)nc2ccccc12 19118979 MHFCQVOXYGHHCY-UHFFFAOYSA-N 412.497 3.145 0 40 HGAB O[C@@H]1C[C@H]2CN(Cc3ccc(Br)s3)[C@H](Cc3ccccc3)CN2C1 19372767 JVHXGXPPTNWALC-IXDOHACOSA-N 407.377 3.373 0 40 HGAB c1ccc(CN2CCC[C@@H](c3nc(N4CCOCC4)ncc3-c3ccncc3)C2)nc1 19401622 SFISTZLIZUFIFQ-HXUWFJFHSA-N 416.529 3.150 0 40 HGAB CCN1CCN(CC2=CCCOC2)C[C@@H](Cc2ccc(-c3ccncc3)cc2)C1=O 19527440 ABEDEFHDBNTABR-XMMPIXPASA-N 405.542 3.418 0 40 HGAB CCn1nc([C@@H](C)C(=O)Nc2nc(-c3cnn(C)c3C)cs2)c2ccccc2c1=O 19660582 UULLANKCSIIGLI-GFCCVEGCSA-N 422.514 3.324 0 40 HGAB Nc1ncc(-c2ccc([C@H]3CN(C(=O)CCc4cccc(Cl)c4)CCO3)nc2)cn1 19693651 WAGMMQJCBPIATD-HXUWFJFHSA-N 423.904 3.307 0 40 HGAB Cc1nc([C@H]2CCCCN2C(=O)CN(C)C)nc2c1CCCN2Cc1ccccc1 19706838 VJQKPJNGNQFMHB-OAQYLSRUSA-N 407.562 3.353 0 40 HGAB O=C(Cc1ccccc1)N1CCC(CC(=O)N2CCC[C@@H](CN3CCCC3)C2)CC1 19748220 ORYRLVLRUPOCHP-QHCPKHFHSA-N 411.590 3.192 0 40 HGAB Nc1nc(N2CCOCC2)nc2nc3c(c(-c4ccc(Cl)cc4)c12)C(=O)CCC3 20673534 GIAXXWNEFPRZNZ-UHFFFAOYSA-N 409.877 3.283 0 40 HGAB O=C(Nc1cccc2c1CCCC2)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 24926671 PTNFQZZVDDWLCV-SFHVURJKSA-N 414.527 3.275 0 40 HGAB CC(C)(CNC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1)N1CCOCC1 24987069 RTUWDDIYFFZGNT-UHFFFAOYSA-N 400.906 3.412 0 40 HGAB Cc1ccc2oc(C(=O)OCCCCN3C(=O)c4ccccc4C3=O)cc(=O)c2c1 25684451 XJQVSAOPKDIMTE-UHFFFAOYSA-N 405.406 3.335 0 40 HGAB CSc1ccccc1NC(=O)CN(C)C(=O)CC[C@@H]1Cc2ccccc2NC1=O 31551940 PQCBKJMFTYBWNW-MRXNPFEDSA-N 411.527 3.397 0 40 HGAB C[C@@H](NC(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1)c1ccc(Br)cc1 31602113 UCBHEDVYBARWMZ-UKRRQHHQSA-N 402.292 3.070 0 40 HGAB Cc1c(C(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)cnn1-c1ccc(=O)[nH]n1 32448385 LJSSDTBDMVELJI-NRFANRHFSA-N 419.872 3.437 0 40 HGAB COc1ccccc1N1C(SCc2ccc(C)cc2)=N[C@@H]2CS(=O)(=O)C[C@@H]21 32640736 SJNCFVDGZCMJIW-AEFFLSMTSA-N 402.541 3.279 0 40 HGAB Cc1oc(CO)cc1C(=O)OCc1nc2ccccc2c(=O)n1-c1ccc(F)cc1 32850626 ACGGRVUASYIMKU-UHFFFAOYSA-N 408.385 3.276 0 40 HGAB Cc1cc(OCC(=O)N[C@H](C)c2ccc(-n3cc(C(N)=O)nn3)cc2)ccc1C(C)C 32928207 HCYXWUXHPZJOMM-MRXNPFEDSA-N 421.501 3.054 0 40 HGAB COc1ccc(Cl)cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@H](C(=O)c1ccccc1)N1CCC[C@H]21 35876505 DGCKMEPKTUBWJY-XLNTUCKNSA-N 424.884 3.184 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCC3=C[C@H]4C[C@H](CN5CCCC[C@H]45)[C@@H]32)cc1 36055839 OEHFYGYYYQJAMU-XHIHJMKYSA-N 402.560 3.279 0 40 HGAB O=C(C[C@H]1SC(=O)N(c2ccccc2)C1=O)N1CCN(c2ccccc2F)CC1 36635268 RJSOJWMEDRPASF-GOSISDBHSA-N 413.474 3.133 0 40 HGAB COc1ccc(F)cc1S(=O)(=O)N1CCC[C@@H](C(=O)N[C@H](C)c2ccccc2)C1 37019110 RMFLRESDWVCPBA-NVXWUHKLSA-N 420.506 3.112 0 40 HGAB C[C@@H]1CCc2c(c3ccccc3n2C(=O)CN2CCN(C(=O)c3ccco3)CC2)C1 37100488 OHLNITSFBICGRI-QGZVFWFLSA-N 405.498 3.457 0 40 HGAB COc1ccccc1NC(=O)N1CCC(CNC(=O)c2cnc3ccccc3n2)CC1 44004824 OAYRJKCHKHZYIO-UHFFFAOYSA-N 419.485 3.312 0 40 HGAB CCOc1ccccc1C(=O)N1CCC(NC(=O)COc2ccc(CC)cc2)CC1 47588998 XSPQHRSGSCAYOV-UHFFFAOYSA-N 410.514 3.448 0 40 HGAB Cn1ccnc1[C@@](O)(CC(=O)N1CCC[C@H]1Cc1ccccc1Cl)C(F)(F)F 55524854 KGQJZFZJUCMUSS-KSSFIOAISA-N 415.843 3.447 0 40 HGAB C[C@H](C(=O)Nc1ccc(Br)cc1)N1CCN(c2ccccc2O)CC1 58159123 XDFREXMYUHWDCY-CQSZACIVSA-N 404.308 3.304 0 40 HGAB CCn1c(CN(C)Cc2cccc(F)c2)nc2cc(S(=O)(=O)N(C)C)ccc21 58160039 CBDPJQVESUVVDE-UHFFFAOYSA-N 404.511 3.078 0 40 HGAB O=C(Cn1ccn2nc(-c3ccc4c(c3)OCO4)cc2c1=O)Nc1cccc(Cl)c1 64591327 MDHBZPFINMYJCR-UHFFFAOYSA-N 422.828 3.184 0 40 HGAB CC(C)(C)NC(=O)Cn1c(=O)cc(-c2nc(-c3ccccn3)no2)c2ccccc21 67318597 FPDKOAOVPUCXGX-UHFFFAOYSA-N 403.442 3.028 0 40 HGAB O=C(c1ccncc1)N1CCC(CNS(=O)(=O)c2cccc3ccccc23)CC1 70904248 GKFROGBRZGWPEV-UHFFFAOYSA-N 409.511 3.066 0 40 HGAB Cc1cc(C)n([C@H](C)CC(=O)N[C@H]2C[C@@]3(CCC(=O)N(C)CC3)Oc3ccccc32)n1 72327786 IQXWRLJHNTVTPX-WWEVIYMKSA-N 424.545 3.472 0 40 HGAB C[C@H]1CN(C(=O)CN2N=C(C(C)(C)C)Cn3c(cc4sccc43)C2=O)C[C@H](C)O1 72334884 XYDQZZYODNUTFT-KBPBESRZSA-N 416.547 3.197 0 40 HGAB CCc1nccn1-c1cccc([C@@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)n1 72379164 MXHHELVADIXIEF-SFHVURJKSA-N 400.479 3.495 0 40 HGAB CCC[C@@H](C(=O)N[C@@H]1CCc2c(O)cccc21)N1CCN(C(=O)OC(C)(C)C)CC1 78971966 INCBAPQXAZRLIM-MOPGFXCFSA-N 417.550 3.217 0 40 HGAB COCc1nc(-c2cccc(NC(=O)c3cccc(Nc4ncccn4)c3)c2)n[nH]1 95479087 PXRLHXJHLUDVSI-UHFFFAOYSA-N 401.430 3.404 0 40 HGAB CCN1CC[C@]2(CN(Cc3cccnc3)CC23CCN(Cc2ccoc2)CC3)C1=O 96036456 ZKYZCIXRMVRZRH-DEOSSOPVSA-N 408.546 3.011 0 40 HGAB COc1ccccc1-c1cc2ncc3c(n2n1)C[C@H]1CC[C@H]3N1Cc1cnn(C)c1 100141216 RVRVJLNDZWDHIZ-OXQOHEQNSA-N 400.486 3.400 0 40 HGAB CC(=O)N(Cc1ccccc1)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1=O 100828519 AQUGBXBKLHXQPM-KRWDZBQOSA-N 401.260 3.130 0 40 HGAB CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)NCC1(c3cccs3)CCOCC1)C(=O)C2 101324148 HSBXXXDBUFGHOQ-MGPUTAFESA-N 411.589 3.111 0 40 HGAB O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)Nc1nc(-c2c[nH]c3ccccc23)cs1 103243752 SOLBHBUIKLNSMP-LFSCOCTRSA-N 418.478 3.037 0 40 HGAB COc1ccc(N2C[C@H](C(=O)Nc3ccc(C(=O)OCC(C)C)cc3)CC2=O)cc1 170554673 QLPOPCFJNVDVEQ-QGZVFWFLSA-N 410.470 3.500 0 40 HGAB CNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CSCc1cccc(C)c1 222821882 VSJAEAZVGIZGND-KRWDZBQOSA-N 400.544 3.400 0 40 HGAB CC[C@H](C(=O)NCCOc1cc(C)cc(C)c1)N(c1ccccc1)S(C)(=O)=O 224086607 KZTBBWILZHQJOR-HXUWFJFHSA-N 404.532 3.043 0 40 HGAB C[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)N(c1ccccc1)S(C)(=O)=O 224863151 CAASQMUKQUHGGA-LBPRGKRZSA-N 402.394 3.378 0 40 HGAB CN(c1ccc(CC(=O)NC[C@@H]2CCCO2)cc1)S(=O)(=O)c1ccc(Cl)cc1 225986768 GGKVFPJXNIDMIS-SFHVURJKSA-N 422.934 3.003 0 40 HGAB Cc1cc(C)nc(Nc2cncc(C3CCN(C(=O)CC4(O)CCCCC4)CC3)n2)n1 257265454 LYSYRUGWWQGBFA-UHFFFAOYSA-N 424.549 3.418 0 40 HGAB CC(=O)Nc1ccc2nc(NC(=O)CN3CCC4(CC3)COC(C)(C)C4)sc2c1 257279972 OIYFTLPKUIWJSO-UHFFFAOYSA-N 416.547 3.474 0 40 HGAB Cc1ccccc1CN1CCC(c2nnc([C@H]3CCCCN3S(C)(=O)=O)o2)CC1 257333136 YAHFWKCPGAXVBZ-LJQANCHMSA-N 418.563 3.244 0 40 HGAB CCN(CC)C(=O)CCc1c(C)nc2cc([C@H]3CCN(C(=O)C(C)C)C3)nn2c1C 257336043 YMXJUWYOHSHNIX-SFHVURJKSA-N 413.566 3.119 0 40 HGAB C[C@H](CC(C)(C)c1ccccc1)NC(=O)[C@H](c1ccccc1)N(C)S(C)(=O)=O 260800728 VRBSGYAUMSWVLW-XLIONFOSSA-N 402.560 3.492 0 40 HGAB CCS(=O)(=O)N1C[C@H](C(=O)NCc2cccc3ccccc23)Oc2ccccc21 260828818 DIIJGCULHRHHOY-OAQYLSRUSA-N 410.495 3.073 0 40 HGAB COc1ccc2c(c1)[C@H]1[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3[C@H]2N1C(=O)C(C)(C)C 261829872 XCNLNARRXZIKMF-FYQPLNBISA-N 404.466 3.485 0 40 HGAB Cc1cc(C)cc(N2C[C@@H](C(=O)Oc3cccc(N4C(=O)CCCC4=O)c3)CC2=O)c1 408649859 ALIXNEJTTLXVHV-KRWDZBQOSA-N 420.465 3.305 0 40 HGAB Cc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(OC(C)C)cc3)C2)cc1 409149217 ZEKOMQCEBSAHPT-QGZVFWFLSA-N 410.470 3.317 0 40 HGAB O=C(O)CCC(=O)N[C@@H]1CCC[C@@H](Oc2ccc(F)cc2Oc2ccccc2)[C@@H]1O 585262426 BDZSFIHTNJKXOJ-RADWXHQJSA-N 417.433 3.260 0 40 HGAB CCOc1ccc(S(=O)(=O)N2CC[C@H](Oc3cnc4ccccc4n3)C2)cc1F 618255167 MXAGDZOMZPMMAS-AWEZNQCLSA-N 417.462 3.010 0 40 HGAB O=C(O)C[C@H](O)C/C(O)=C/C=c1c(C2CC2)nc2ccccc2c1=C1C=C[C](F)C=C1 1560407565 AIXNMRCOCAOFJN-LJQANCHMSA-N 420.460 3.338 0 40 HGAB CC[C@@H]1CN(C(=O)c2ccc(F)c(Cl)c2)[C@H](CO)[C@@H]1CN1CCC[C@@H]1COC 1772595022 QGFJIOGWHQQBME-WVSUBDOOSA-N 412.933 3.049 0 40 HGAB O=C(NC1CC1)[C@H]1C[C@@H](NCc2ccsc2)[C@H](c2cnc(-c3ccccc3)[nH]2)[C@@H]1O 2332241868 WKMYAOLJKJRILE-UYWIDEMCSA-N 422.554 3.040 0 40 HGAB NC(=O)CSc1nnc(CNc2cccc(C(F)(F)F)c2)n1-c1ccccc1 786271 AAMRTZOJECHAAR-UHFFFAOYSA-N 407.421 3.476 0 40 HGAB COC(=O)[C@](NNc1cccc(Cl)c1)(NC(=O)c1cccc(F)c1)C(F)(F)F 2050536 GERXVTZGMPNJEQ-MRXNPFEDSA-N 419.762 3.257 0 40 HGAB CC(C)CC(=O)NC(=S)Nc1ccc(S(=O)(=O)N(C)c2ccccc2)cc1 2136797 DVLZHCBVPUMCAO-UHFFFAOYSA-N 405.545 3.371 0 40 HGAB O=C(COC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O)c1ccccc1 3240226 GDXILMSIQGUBAL-UHFFFAOYSA-N 406.415 3.104 0 40 HGAB COC[C@@H](C)n1c(SCC(=O)Nc2cccc(F)c2)nc2ccccc2c1=O 3263278 IFXDFSPXFOTPRI-CYBMUJFWSA-N 401.463 3.474 0 40 HGAB CC(=O)c1cccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2N)c1 3312613 SGMNZCXRHAGWBT-UHFFFAOYSA-N 401.879 3.246 0 40 HGAB O=C(NCCc1ccccc1)[C@@H](c1ccccc1)N(C(=O)c1csnn1)C1CC1 4964958 HPVAJDYQIPOJDK-HXUWFJFHSA-N 406.511 3.243 0 40 HGAB COc1ccc(OC)c(S(=O)(=O)Nc2ccc(-c3cn4c(n3)SCC4)cc2)c1 5084123 HKZKWXARTDDUBA-UHFFFAOYSA-N 417.512 3.474 0 40 HGAB C[C@@H](NC(=O)Nc1cccc2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)O 5920471 JYEBKNONUNVENG-FOIQADDNSA-N 405.454 3.162 0 40 HGAB CC(C)CNS(=O)(=O)c1ccc(OCC(=O)N(C)Cc2ccccc2)c(Cl)c1 6326594 FELFOFOJMNAAMC-UHFFFAOYSA-N 424.950 3.312 0 40 HGAB O=C(NC(=S)Nc1nc2ccc(N3CCOCC3)cc2s1)c1cccs1 6548254 BQXBMKWAKOWTHW-UHFFFAOYSA-N 404.542 3.321 0 40 HGAB CCOc1cc(C(=S)N2CCN(C)CC2)ccc1OCC(=O)Nc1ccccc1 6960900 RBKAGSXWPMPPEM-UHFFFAOYSA-N 413.543 3.026 0 40 HGAB Cc1ccc(-n2nnnc2SCC(=O)c2cccc(N3CCCC3=O)c2)c(C)c1 7172726 WVGUMQRLZJHIJI-UHFFFAOYSA-N 407.499 3.381 0 40 HGAB O=C(Oc1ccc2c(c1)OCO2)/C(=C/c1ccco1)n1nnnc1-c1ccccc1 7401653 RWJYHYPAKOAEDI-BOPFTXTBSA-N 402.366 3.266 0 40 HGAB COC(=O)c1c(NC(=O)COC(=O)c2cc3ccccc3oc2=O)sc(C)c1C 7604511 NFRUUKMWYXCVRJ-UHFFFAOYSA-N 415.423 3.053 0 40 HGAB CC(=O)Nc1cccc(C(=O)OCC(=O)Nc2c(C)nn(-c3ccccc3)c2C)c1 7706939 DHYXANKGQZNFQY-UHFFFAOYSA-N 406.442 3.243 0 40 HGAB COc1ccc(CNC(=O)[C@H]2CC(=O)N(c3cc(Cl)c(OC)cc3OC)C2)cc1 7969464 PRDBUFCUWUWRSG-AWEZNQCLSA-N 418.877 3.035 0 40 HGAB COc1ccccc1N1C(=O)/C(=C/c2ccc(N3CCCCC3)o2)C(=O)NC1=S 8169229 GMHAUSBXTRTCFU-FYWRMAATSA-N 411.483 3.110 0 40 HGAB COc1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccc(C)cc2C)c(OC)c1 8414511 PETVEWNWFAVFLD-UHFFFAOYSA-N 414.458 3.221 0 40 HGAB O=C(c1cc2ccccc2oc1=O)N(c1ccc(Cl)cc1)[C@H]1C=CS(=O)(=O)C1 8684498 UNHNGUVNGRQMDU-INIZCTEOSA-N 415.854 3.404 0 40 HGAB Cc1cccc2c(=O)n(CCCC(=O)N3CCN(c4cccc(Cl)c4)CC3)cnc12 8723649 XAZDZYIOANVDOC-UHFFFAOYSA-N 424.932 3.487 0 40 HGAB CCOc1ccc(NC(=O)CSCC(=O)NCCc2ccc(OC)cc2)cc1 8853105 PACSCGFUHKYHIT-UHFFFAOYSA-N 402.516 3.125 0 40 HGAB COc1ccc(CCNC(=O)C(=O)Nc2ccc(Br)c(C)c2)cc1OC 9235227 RLVMNGDOCXSNDJ-UHFFFAOYSA-N 421.291 3.072 0 40 HGAB COc1ccccc1OCc1nnc(SCC(=O)Nc2cccc(F)c2)n1C 9306307 BFDOKDWWCCJSAZ-UHFFFAOYSA-N 402.451 3.273 0 40 HGAB Cc1ccc(-c2cc(-c3nnc(SCC(=O)Nc4ccccc4F)n3N)[nH]n2)cc1 9541440 LOOYXVSKDOPIDL-UHFFFAOYSA-N 423.477 3.227 0 40 HGAB Cc1c(-c2ccccc2)sc2ncn(CC(=O)NC(=O)NCCC(C)C)c(=O)c12 9602411 FUMJPULHTXLHNF-UHFFFAOYSA-N 412.515 3.305 0 40 HGAB C[C@H](OC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)C(=O)NC1CCCC1 9702594 DFJAOAMUAUJFPV-AWEZNQCLSA-N 412.486 3.219 0 40 HGAB CC(C)[C@H](NC(=O)c1ccccc1)C(=O)NC1CCN(C(=O)Nc2ccccc2)CC1 10027670 LQSABYVPJRRZOJ-NRFANRHFSA-N 422.529 3.254 0 40 HGAB CCC(=O)Nc1ccc(SCC(=O)Nc2ccc(OC(F)(F)F)cc2)nn1 11739066 FYTPBUIQMWGPGN-UHFFFAOYSA-N 400.382 3.455 0 40 HGAB CCOC(=O)Cc1csc(NC(=O)CSc2cc(-c3ccccc3)ncn2)n1 11903077 WKNKSDXPGKDUCL-UHFFFAOYSA-N 414.512 3.437 0 40 HGAB C[C@H](NC(=O)Cc1ccc2c(c1)OCO2)c1nc2cc(-c3ccccc3F)ncn2n1 12085139 RODHLASIXKQZOF-ZDUSSCGKSA-N 419.416 3.079 0 40 HGAB Cc1ccc2cc(CNc3ccc(N4CCC(C(N)=O)CC4)cc3)c(=O)[nH]c2c1C 12088314 PFOFCJTZIDEBLH-UHFFFAOYSA-N 404.514 3.459 0 40 HGAB CCc1c(C)sc2ncn([C@@H]3CCCN(C(=O)c4cnn(CC)c4C)C3)c(=O)c12 12184183 GQKSHPWLVDAUBK-OAHLLOKOSA-N 413.547 3.331 0 40 HGAB Cc1ccccc1-n1ncc2c(C)nn(CC(=O)Nc3ccc(F)cc3F)c(=O)c21 12228493 CWQCHCARZLGVLW-UHFFFAOYSA-N 409.396 3.116 0 40 HGAB Cc1cc(-c2snnc2[C@H]2CCCN(C(=O)Cc3ccc4c(c3)OCO4)C2)on1 12251844 JXWRURCIXXDGKN-AWEZNQCLSA-N 412.471 3.179 0 40 HGAB COc1cc(OC)c([C@@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3ncnn32)cc1OC 13123459 WDKLGICSUMGUFK-HXUWFJFHSA-N 421.457 3.232 0 40 HGAB CCOc1ccc(N([C@@H](C)C(=O)N2CCCc3ccccc32)S(C)(=O)=O)cc1 13646830 SQTOCWVWNHZSHA-INIZCTEOSA-N 402.516 3.219 0 40 HGAB COc1cc(NC(=O)NCCCn2nc(-c3ccc(C)cc3)ccc2=O)cc(OC)c1 13801375 QCRDSQSDGDRAOP-UHFFFAOYSA-N 422.485 3.448 0 40 HGAB O=C(CN1C(=O)COc2ccccc21)Nc1nc(-c2ccc(F)c(F)c2)cs1 14075720 GESNRUJSUBERTI-UHFFFAOYSA-N 401.394 3.452 0 40 HGAB CCOc1cc(C(=O)N[C@@H](C)c2cccc(S(N)(=O)=O)c2)ccc1OCC(C)C 14251262 IFYKSEAINAEDHY-HNNXBMFYSA-N 420.531 3.259 0 40 HGAB COc1ccc(-c2noc(CCC(=O)Nc3cccc(NC(C)=O)c3)n2)cc1OC 15578823 GWRNPWHTBAJGMT-UHFFFAOYSA-N 410.430 3.284 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)NCCc2c[nH]c3ccccc23)c1 15616023 OOXXRCJKSPTQDT-UHFFFAOYSA-N 417.506 3.310 0 40 HGAB COc1cccc(NC(=O)COc2ccc(C(=O)Nc3ccc(OC)nc3)cc2)c1 15617101 HMSBGVNXZMQGSE-UHFFFAOYSA-N 407.426 3.369 0 40 HGAB O=C(CCNC(=O)c1ccc(Cl)cc1)NC[C@H](c1ccco1)N1CCCCC1 15988635 FUDOYRNVCJLELC-GOSISDBHSA-N 403.910 3.396 0 40 HGAB CC(=O)c1cc(Br)ccc1OS(=O)(=O)c1ccc2c(c1)OCCO2 16094676 OXTDHQLLPFZLDC-UHFFFAOYSA-N 413.245 3.191 0 40 HGAB CCOc1cc2c(cc1NS(=O)(=O)c1ccc3c(c1)CCC(=O)N3)O[C@@H](C)C2 17520645 FYAJHQLZEUYGOG-LBPRGKRZSA-N 402.472 3.094 0 40 HGAB COc1ccc(Br)c(C(=O)N2CCN(CCOc3ccccc3)CC2)c1 18121470 CGICVKUGNSEHAO-UHFFFAOYSA-N 419.319 3.295 0 40 HGAB CC(C)C[C@@H](NC(=O)C1CCC(C)CC1)C(=O)N1CCN(c2ccccn2)CC1 18217899 ORMNUNLPLQXJAO-SOAGJPPSSA-N 400.567 3.087 0 40 HGAB CNc1nc([C@H]2CCCN(C(C)=O)C2)nc2c1CCN(Cc1ccc(C)cc1OC)C2 19708505 MXDJKHLNYWPPEL-IBGZPJMESA-N 423.561 3.120 0 40 HGAB Cc1noc(C)c1CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 20667857 XJJORQNJQFIIRB-UHFFFAOYSA-N 411.911 3.301 0 40 HGAB CCn1c(SCC(=O)N[C@H](Cc2ccccc2)C(C)=O)nnc1-c1cccs1 21282861 MVAPEKGOHKYSIH-MRXNPFEDSA-N 414.556 3.435 0 40 HGAB CCOc1ccc(S(=O)(=O)NC[C@@H](c2cn(C)c3ccccc23)N(C)C)cc1F 21696220 VWXAQFPUZMPXDQ-FQEVSTJZSA-N 419.522 3.297 0 40 HGAB Cc1ccccc1-n1cnnc1S[C@@H](C)C(=O)N1CCN(Cc2ccccc2)CC1 22373890 FQNMFKBYUPVVSS-IBGZPJMESA-N 421.570 3.401 0 40 HGAB CCc1ccc(-n2ncc(C(=O)N3CCC4(CC3)OCCO4)c2-n2cccc2)cc1 22570425 DVNSMWHPLWCTFL-UHFFFAOYSA-N 406.486 3.205 0 40 HGAB CCc1nc2sc([C@H](c3ccc(F)cc3)N3CCC(C(=O)OC)CC3)c(O)n2n1 22853627 UCUPWFOOLZWHNP-INIZCTEOSA-N 418.494 3.172 0 40 HGAB Cc1nc(CN2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)cs1 29077393 SEGOIKLQOYLAPC-UHFFFAOYSA-N 406.360 3.265 0 40 HGAB CN(C(=O)c1ccc(=O)n(CCOc2ccccc2)n1)[C@H]1CCCc2ccccc21 29258749 KJYDEDQSQRTHGZ-QFIPXVFZSA-N 403.482 3.472 0 40 HGAB CCN1CCN(c2ccc(NC(=O)[C@@H](C)NC(=O)OCc3ccccc3)cc2)CC1 32736242 JAWZWOPQBCMXRT-GOSISDBHSA-N 410.518 3.082 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)cc1OC 32876284 HQRAKJDKUTWMGT-CQSZACIVSA-N 401.488 3.148 0 40 HGAB O=C(NCc1cccnc1N1CCOCC1)c1cccc(NC(=O)C2CCCCC2)c1 33017492 XYOFXGBXXPWRTR-UHFFFAOYSA-N 422.529 3.367 0 40 HGAB COc1ccccc1CNC(=O)c1ccc2c(c1)-c1ccccc1S(=O)(=O)N2C 33088665 WOYGDFNPKYCXKV-UHFFFAOYSA-N 408.479 3.431 0 40 HGAB COCCn1nnnc1[C@@H](c1ccc(C)cc1)N1CCN(c2cc(C)ccc2C)CC1 35290568 HRZXUGSXUDOWLA-HSZRJFAPSA-N 420.561 3.156 0 40 HGAB CCOc1cc(CNCCCn2ccnc2)ccc1OCC(=O)Nc1ccccc1 35310473 UBCZAGDHSMOJID-UHFFFAOYSA-N 408.502 3.479 0 40 HGAB Cn1nc(NC(=O)/C=C\c2ccc3c(c2)OCO3)c2c1NC(=O)C[C@H]2c1cccs1 36705588 SVJQZRZPNCCOHY-VGVVRCBHSA-N 422.466 3.336 0 40 HGAB CCc1cccc2sc(N3CCN(C(=O)Cn4c(=O)oc5ccccc54)CC3)nc12 36709514 LGKTYIXGWKLROK-UHFFFAOYSA-N 422.510 3.115 0 40 HGAB Cc1ccc(NC(=O)CS[C@@H](C)C(=O)N(C)C[C@H]2COc3ccccc3O2)cc1 36752005 QZPQQDJISSUQJB-WMZOPIPTSA-N 414.527 3.354 0 40 HGAB C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)[C@H]1CC(=O)N(C2CC2)C1 40040601 KXLZEKYOOUDVOA-LPHOPBHVSA-N 405.498 3.469 0 40 HGAB CCCCOc1ccc(NC(=O)[C@@]23CCC(=O)N2c2ccccc2C(=O)N3C)cc1 40313196 PUMUPQHHSDKRKX-HSZRJFAPSA-N 407.470 3.413 0 40 HGAB biogenic C=CCN1C(=O)/C(=C/c2ccc(OCC(=O)N3CCCC3)c(OC)c2)SC1=S 43078935 NNXDHZDUAPLXKN-ATVHPVEESA-N 418.540 3.084 0 40 HGAB COC(=O)c1ccc(Cl)cc1NC(=O)CSc1nc2ccccc2c(=O)n1C 57472390 PJQKGRMXTXJQJR-UHFFFAOYSA-N 417.874 3.104 0 40 HGAB CCOC(=O)c1cc2cc(NC(=O)NCc3cccnc3-n3cncn3)ccc2s1 58182054 GMUQOSWDFDBISS-UHFFFAOYSA-N 422.470 3.375 0 40 HGAB COc1cc(/C=C/C(=O)N2CCC(Cn3nc(C)cc3C)CC2)cc(OC)c1OC 62017701 YZGVHDQPJLVDMZ-VOTSOKGWSA-N 413.518 3.478 0 40 HGAB CC(=O)c1ccc(NC(=O)[C@H]2CCCN(c3ccc(-n4nc(C)cc4C)nn3)C2)cc1 62164001 SEIVGCLVNFAIEE-IBGZPJMESA-N 418.501 3.337 0 40 HGAB Cc1cc(C)cc(OC[C@@H](O)Cn2nnc(-c3ccc(Br)cc3)n2)c1 65606146 YJBBHPVPEIQXBO-INIZCTEOSA-N 403.280 3.159 0 40 HGAB COc1cccc(-c2cn(C)c3c(=O)n(CC(=O)NCc4ccc(C)cc4)cnc23)c1 67235503 MKRAVBXXKFJBKL-UHFFFAOYSA-N 416.481 3.035 0 40 HGAB Cc1cc2nc(SCC(=O)NC3CCC(C)CC3)n(Cc3ccco3)c(=O)c2[nH]1 67239493 YIPIKPLHFOQGQI-UHFFFAOYSA-N 414.531 3.461 0 40 HGAB CN1CCCN(C(=O)c2cccc(-c3ccc(C[C@H]4CCCNC4=O)cc3)c2)CC1 72356305 XGHHOZWNEQLDDY-JOCHJYFZSA-N 405.542 3.200 0 40 HGAB Cc1cc(Nc2cnccn2)cc([C@H]2CCCN(CC(=O)N3CCC(C)CC3)C2)n1 72374862 BDXCVYQBWJEIKI-IBGZPJMESA-N 408.550 3.362 0 40 HGAB CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)CCc1c(C)nc2c(C(N)=O)cnn2c1C 78877864 ZWDUMAPBKXPYDV-LJQANCHMSA-N 421.545 3.166 0 40 HGAB CN(C)[C@]1(CNC(=O)Nc2ccc(N3CCSCC3)c(Cl)c2)CCSC1 79015201 YLOCPYQYVGQEIJ-SFHVURJKSA-N 415.028 3.452 0 40 HGAB CCOC(=O)[C@H]1Oc2c(c(=O)oc3ccccc23)[C@@H]1c1cc2ccccc2n(C)c1=O 79191613 RYMCCCGKAGFXQP-RXVVDRJESA-N 417.417 3.101 0 40 HGAB biogenic Cc1cc(OCC(=O)NC[C@@H]2CCCN3CCCC[C@H]23)c2c3c(c(=O)oc2c1)CCC3 85875856 GZKZUSFMHOOODR-FXAWDEMLSA-N 424.541 3.350 0 40 HGAB biogenic Cc1cc(C(=O)N(C)CCc2nccs2)ccc1NS(=O)(=O)C(F)(F)F 89591072 JDBNLDHLIQETQD-UHFFFAOYSA-N 407.439 3.028 0 40 HGAB O=S(=O)(c1cc(F)cc(F)c1)N1CC(Oc2nc3c(F)cccc3s2)C1 90594335 QYUHPEPCASNOQO-UHFFFAOYSA-N 400.403 3.166 0 40 HGAB Cc1ccc(CNC(=O)[C@@H]2c3c(ncn3C(C)C)CCN2C(=O)c2ccccc2)o1 96147278 IXEMBZWLGISLDH-NRFANRHFSA-N 406.486 3.421 0 40 HGAB COc1cccc(C(=O)NC2CCN(c3cc(-c4ccccc4)n[nH]3)CC2)c1OC 98212615 QAPGJKFSKLPSLO-UHFFFAOYSA-N 406.486 3.493 0 40 HGAB CCc1ccc(N2CCN(S(=O)(=O)C[C@]34CC[C@@H](CC3=O)C4(C)C)CC2)cc1 100194170 UTHJNXUAYHPAKD-PGRDOPGGSA-N 404.576 3.096 0 40 HGAB COc1cc(OC)cc(N2N=N[C@@H]3C(=O)N(c4ccc(C)c(Cl)c4)C(=O)[C@H]32)c1 101260360 XQSXTUQTFFYQMU-IRXDYDNUSA-N 400.822 3.163 0 40 HGAB C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)CN1C(=O)C[C@@H](c2ccccc2F)C1=O 101444903 FKIKTWJYDLGXKR-JXFKEZNVSA-N 408.473 3.496 0 40 HGAB Cc1cc(NC(=O)[C@H](C)N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)c(C)cc1Br 102090265 ISXWINLQHYMTPR-HLNSEHPISA-N 417.303 3.200 0 40 HGAB COc1ccc(S(=O)(=O)Nc2ccccc2OC(C)C)cc1C(=O)NC(C)C 113946182 AVGXVSSGMZKTHP-UHFFFAOYSA-N 406.504 3.421 0 40 HGAB Cc1ccccc1OC[C@@H](C)NS(=O)(=O)c1ccc(N2CCCC2=O)c(C)c1 219224154 QBMAXEWOHBSEBM-QGZVFWFLSA-N 402.516 3.176 0 40 HGAB Cc1[nH]c(C)c([C@H]2[C@@H](c3ccccn3)NC(=S)N2C)c1I 222725998 MZZLWNPJJZKVMS-KGLIPLIRSA-N 412.300 3.233 0 40 HGAB CCCC(=O)N(Cc1ccc(OC)cc1)[C@H](C)C(=O)NCc1ccc2c(c1)OCO2 222982170 XROKZBFYJVABLD-MRXNPFEDSA-N 412.486 3.258 0 40 HGAB CN(C)CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1Cc1ccco1 223219982 NZQPCMQPODGIQO-RTWAWAEBSA-N 409.559 3.449 0 40 HGAB COc1ccc(CN(C(C)=O)[C@H](C(=O)NCc2cccnc2)c2ccccc2)cc1 223542946 KJIUGACJHKPMQX-QHCPKHFHSA-N 403.482 3.496 0 40 HGAB Cc1cc(C)cc(OCCNC(=O)[C@H](C)N(c2cc(C)ccc2C)S(C)(=O)=O)c1 224076796 WSQBXWPUUFCILP-IBGZPJMESA-N 418.559 3.270 0 40 HGAB CN(Cc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1)S(=O)(=O)c1ccccc1 224408463 IKLNEXAGBKDLRX-UHFFFAOYSA-N 424.478 3.488 0 40 HGAB Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)NCCCc3ccccc3)s2)cc1 225192906 MSWSXSNZOYLZGV-UHFFFAOYSA-N 416.528 3.010 0 40 HGAB O=C(NC1CCN(c2cc(-c3cccs3)[nH]n2)CC1)c1cc(=O)[nH]c2ccccc12 225754947 ZMHHNKUVPHWNFG-UHFFFAOYSA-N 419.510 3.379 0 40 HGAB CCOC[C@]1(N)[C@H](c2ccc(Br)cc2)[C@H]1S(=O)(=O)c1ccc(C)cc1 242648343 QTBIGFUQEKULKR-QRVBRYPASA-N 424.360 3.431 0 40 HGAB CC1(C)CN(C(=O)c2ccccc2F)C[C@@H]2CN(C(=O)NC3CCCCC3)CCN21 253397352 FODZOHHADHNQEI-SFHVURJKSA-N 416.541 3.089 0 40 HGAB biogenic,in-vitro CO[C@@H]1CCN(CC(=O)Nc2cccc(-c3csc(C)n3)c2)C[C@]12CCCO2 257199997 ABOHWWWRQNUZOM-TZIWHRDSSA-N 401.532 3.327 0 40 HGAB COC[C@@H](C)NC(=O)CN1CCC(c2cc(Nc3cccc(C)n3)cc(C)n2)CC1 257259797 LABLMRIPAUYSOJ-GOSISDBHSA-N 411.550 3.168 0 40 HGAB CC(=O)N1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)N2C(=O)c1cnc(C)cn1 257344114 ZVUFKHRLIHJFGL-ACUMWEPGSA-N 418.541 3.400 0 40 HGAB Cc1cccc(CN2CCC[C@]3(CN(C(=O)C4(F)CCC4)CC(F)(F)C3)C2=O)n1 306139240 SSZZTQZMAZSLEW-IBGZPJMESA-N 409.452 3.259 0 40 HGAB Cc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CCC(C)CC2)cc1 408598092 ZRNLBGZZKVWQEN-OAQYLSRUSA-N 400.544 3.143 0 40 HGAB CCOc1ccc(NS(=O)(=O)c2ccc(O[C@@H](C)C(=O)NCC(C)C)cc2)cc1 408612012 XXGHMDBFLNBENG-INIZCTEOSA-N 420.531 3.426 0 40 HGAB Cc1ccc(C(=O)O)c(NC(=O)c2ccc(N3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4C3)cc2)c1 408673431 SBUCHUBPUNXKFH-SLUIBLPYSA-N 416.433 3.257 0 40 HGAB Cn1cc(Br)c(=O)c(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)c1 508533242 UXXGFNLENFZKQA-UHFFFAOYSA-N 412.092 3.255 0 40 HGAB C[C@](O)(CNC(=O)C(F)(F)c1ncccc1Br)c1cccc(F)c1 1596689845 UJFRNQLHXMQXIA-HNNXBMFYSA-N 403.198 3.099 0 40 HGAB Cc1cnc(OC[C@@H]2CCCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)C2)nc1 1775970464 NLXSFBXBZLFANV-CQSZACIVSA-N 415.437 3.284 0 40 HGAB COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)Nc2c(C)cccc2C)cc1 639915 VHRSOWOQXTUHEY-OAQYLSRUSA-N 423.469 3.122 0 40 HGAB CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)CNc1nc(C)c(C)s1 1308341 OYLBCKTUWLAPFR-UHFFFAOYSA-N 402.476 3.477 0 40 HGAB O=C(c1ccc(Cl)cc1)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1337005 UDPJNPCBNUDCCH-UHFFFAOYSA-N 421.902 3.395 0 40 HGAB Cc1cc(OCC(=O)Nc2ccc3c(c2)OCCO3)c2c3c(c(=O)oc2c1)CCC3 2152165 MQULXHUFCCJYSD-UHFFFAOYSA-N 407.422 3.379 0 40 HGAB biogenic COc1cc(-c2noc(-c3cc(OC)c(OC)c(OC)c3)n2)cc(OC)c1OC 2356938 ZHIQVZRTVQIFCS-UHFFFAOYSA-N 402.403 3.455 0 40 HGAB COCCCN1CN(S(=O)(=O)c2ccc(C)cc2C)c2nc3ccccc3nc21 2427145 JTAICLRTDBWRHN-UHFFFAOYSA-N 412.515 3.256 0 40 HGAB Cc1nc2sc3c(c2c(=O)n1NC(=O)c1nn(C)cc1Cl)CCCCCC3 2778849 XRIOJSVVTPBFSW-UHFFFAOYSA-N 405.911 3.196 0 40 HGAB O=C1CN(C(=O)CSc2nnc(NC3CCCCC3)s2)c2ccccc2N1 3328624 YLTRJEBMUQVQFL-UHFFFAOYSA-N 403.533 3.360 0 40 HGAB CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc3ccccc23)cc1 3608622 NKAUBMZQCNFDJI-UHFFFAOYSA-N 411.483 3.057 0 40 HGAB COC(=O)C[C@H]1C(=O)N[C@@H]2CCCC[C@@H]2N1C(=O)Nc1ccc(Cl)c(Cl)c1 4223181 NKAZTDXWNRMOHP-ILXRZTDVSA-N 414.289 3.200 0 40 HGAB COc1ccc(NS(=O)(=O)c2cc3c4c(c2)CCC(=O)N4CCC3)cc1Cl 5154171 FZJJHZCVNXTGKU-UHFFFAOYSA-N 406.891 3.375 0 40 HGAB C[C@H](Sc1ccc(S(=O)(=O)N2CCCCC2)cn1)C(=O)NCc1ccccc1 5218278 QTOLVOFLXLTABS-INIZCTEOSA-N 419.572 3.053 0 40 HGAB COCCCNC(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(C)c(C)c1 5356089 UGDRAIKFTZZWMM-UHFFFAOYSA-N 411.531 3.191 0 40 HGAB O=C(CN1C(=O)NC2(CCCCC2)C1=O)N(Cc1ccco1)Cc1cccs1 8071447 IHLOMFMYOODZOS-UHFFFAOYSA-N 401.488 3.125 0 40 HGAB COc1ccc(C)cc1N(CC(=O)NCCC(C)C)S(=O)(=O)c1ccccc1 8369851 PHJJMKUCJBFCPJ-UHFFFAOYSA-N 404.532 3.361 0 40 HGAB Cc1ccc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)Nc2cccc(Cl)c2)cc1 8559853 MTMJTUOYVJAKET-KRWDZBQOSA-N 400.866 3.010 0 40 HGAB Cc1ccc(C)c(NC(=O)CN2CCCN(Cc3cccc(Cl)c3)S2(=O)=O)c1 8594375 HYMMOIUJWKTWBZ-UHFFFAOYSA-N 421.950 3.348 0 40 HGAB C[C@H]1CCc2c(sc3nnn(CCCCN4C(=O)c5ccccc5C4=O)c(=O)c23)C1 8717895 JFOKGXLQOJUPFO-ZDUSSCGKSA-N 422.510 3.054 0 40 HGAB O=C(COC(=O)c1cc(=O)[nH]c2ccccc12)Nc1ccc2c(c1)OC1(CCCC1)O2 8988118 GGTVXGAIGIUZNW-UHFFFAOYSA-N 420.421 3.365 0 40 HGAB COc1ccc(CCSC2=N[C@H]3CS(=O)(=O)C[C@H]3N2c2ccccc2)cc1 8993330 UENKWNXPZXIUGT-RBUKOAKNSA-N 402.541 3.013 0 40 HGAB CCNC(=O)NC(=O)[C@@H](C)Sc1nc2ccc(Cl)cc2c(=O)n1CC(C)C 9091476 IBMSTZNETWVLGK-LLVKDONJSA-N 410.927 3.032 0 40 HGAB CCOc1ccc([C@H]2CC(c3ccccc3NS(C)(=O)=O)=NN2C(C)=O)cc1 9517132 SVHPACCMGGNMOD-HXUWFJFHSA-N 401.488 3.154 0 40 HGAB Cc1cccc(-n2ncc3c(O)nc(SCC(=O)NCc4ccc(F)cc4)nc32)c1 9522453 ABFDIYZNPMCLRB-UHFFFAOYSA-N 423.473 3.377 0 40 HGAB CCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N3CC)c(C)c1 10063728 SETQKUKRSIFRAY-UHFFFAOYSA-N 401.488 3.053 0 40 HGAB COc1c(C)cc(S(=O)(=O)Nc2cccc(-c3ccc(=O)n(C)n3)c2)c(C)c1C 10324835 PBPORNHKWLCVAA-UHFFFAOYSA-N 413.499 3.182 0 40 HGAB O=C(CSc1ccc(NC(=O)c2ccco2)nn1)NCc1ccccc1Cl 11739336 OAARRBCGHJGAOQ-UHFFFAOYSA-N 402.863 3.384 0 40 HGAB CCc1nn(CC(=O)NC2(c3ccc4c(c3)OCO4)CCCC2)c(=O)c2ccccc12 12155613 NITJMNSPUJZCOY-UHFFFAOYSA-N 419.481 3.273 0 40 HGAB Cc1cc(OCC(=O)N2CCC[C@@H](c3noc(-c4cnccn4)n3)C2)ccc1Cl 12187679 RIOBYZFSGXAPMF-CQSZACIVSA-N 413.865 3.273 0 40 HGAB CCCn1cc(C(=O)N2CCC[C@@H](c3nc4ccccc4cc3C(N)=O)C2)c(C)n1 12242269 BHWLTAFMXKQCCT-QGZVFWFLSA-N 405.502 3.268 0 40 HGAB O=C(Nc1ccc(-n2cnnn2)cc1)c1cccc(OCc2cn3ccccc3n2)c1 12549925 RNRZLQHZRUXJKL-UHFFFAOYSA-N 411.425 3.141 0 40 HGAB COc1nc2cc(C)ccc2cc1CN1CCc2c(nc(-c3cccnc3)[nH]c2=O)C1 12666362 ALHZHDAQEHLSDI-UHFFFAOYSA-N 413.481 3.255 0 40 HGAB Cc1ccc(CNC(=O)NCC(=O)N[C@@H](C)c2ccccc2Br)cc1 12748754 POCNPKNDCYXZNS-AWEZNQCLSA-N 404.308 3.434 0 40 HGAB Cc1cccc(O[C@@H](C)C(=O)N(Cc2nc3ccccc3c(=O)[nH]2)C[C@@H]2CCCO2)c1 12765482 FSZVJKORMXTIRN-HKUYNNGSSA-N 421.497 3.207 0 40 HGAB O=C(CN1CCC(C(=O)NCc2ccccc2)CC1)Nc1cc(Cl)ccc1F 12803056 LZEHMEXEOJRUSS-UHFFFAOYSA-N 403.885 3.446 0 40 HGAB Cc1cccc(CNC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)c3ccccc3O2)c1 13674948 IZBVPENUXPNRDJ-QFIPXVFZSA-N 422.506 3.268 0 40 HGAB Cc1[nH]c(SCC(=O)Nc2ccc(-n3cnnn3)cc2)nc1Cc1ccccc1 14083319 BGMFPKAVUDEYMO-UHFFFAOYSA-N 405.487 3.015 0 40 HGAB CCS(=O)(=O)N(CC(=O)Nc1ccccc1C(C)C)c1ccc2c(c1)OCO2 14397860 RGYQUPMPUIHBSN-UHFFFAOYSA-N 404.488 3.334 0 40 HGAB CC(=O)Nc1nnc(SCc2cc(=O)c(OC(=O)c3cccc(C)c3)co2)s1 16047714 BXNAXFDLXGKYKI-UHFFFAOYSA-N 417.468 3.270 0 40 HGAB Cc1ccccc1-c1nc2scc(CCNS(=O)(=O)c3ccc(F)cc3)n2n1 17136131 QFZBRXWFVAQFRI-UHFFFAOYSA-N 416.503 3.426 0 40 HGAB COc1ccc(-c2nnc(S)n2CC(=O)N[C@H](C)c2ccc(F)cc2F)cc1 18015613 KXUYPGDABYVIJD-LLVKDONJSA-N 404.442 3.398 0 40 HGAB Cc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)cc1 18212537 NGDYAEWQAUJPMT-KRWDZBQOSA-N 400.544 3.372 0 40 HGAB O=C1C[C@@H](c2ccccc2F)Cc2nc(N3CCN(c4ccccn4)CC3)ncc21 18223038 FUKPHHPAMJOJAW-INIZCTEOSA-N 403.461 3.250 0 40 HGAB Cn1cc(C(=O)CN2CCC(O)(Cn3ncc4ccccc43)CC2)c2ccccc21 19290363 BPXRWNFQMNOFNW-UHFFFAOYSA-N 402.498 3.238 0 40 HGAB O=C(NCc1ccc(CN2CCOCC2)cc1)c1ccc(Oc2ncccn2)cc1 19403946 SVQJSYBZPJQOIM-UHFFFAOYSA-N 404.470 3.031 0 40 HGAB COc1ccc(CC(=O)N[C@H](C)c2nc3cc(-c4ccccc4F)ncn3n2)cc1 19575558 JQGSABJLTOIUOH-CQSZACIVSA-N 405.433 3.359 0 40 HGAB O=C(c1sc2ccccc2c1[C@H]1CN(Cc2ccccn2)CCO1)N1CCOCC1 19695697 WKRJEOJJUDDXLG-LJQANCHMSA-N 423.538 3.342 0 40 HGAB CNc1nc([C@H]2CCCN2)nc2c1CCN(C(=O)CCCc1ccc(F)c(C)c1)C2 19707105 HILIJDBJUFKKOM-LJQANCHMSA-N 411.525 3.298 0 40 HGAB CCN(CC)[C@@H]1CCO[C@H](c2ccc(NC(=O)c3ccc(-n4cnnn4)cc3)cc2)C1 19711828 JVXCFJUEXVFTDM-YADHBBJMSA-N 420.517 3.477 0 40 HGAB Cc1cc(C)c(NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)N(C)C)c(C)c1 20244807 WKCHRVBPKDZYTD-UHFFFAOYSA-N 403.548 3.480 0 40 HGAB COc1ccc(C)cc1N(CC(=O)NCCCc1ccccc1Cl)S(C)(=O)=O 22336197 MEPSBWGKMNYRIC-UHFFFAOYSA-N 424.950 3.172 0 40 HGAB CN(Cc1ccc2c(c1)OCCO2)C(=O)c1ccc2c(=O)n3c(nc2c1)CCCCC3 22753587 MLZIJFMYINNUES-UHFFFAOYSA-N 419.481 3.166 0 40 HGAB O=S(=O)(N[C@H](CN1CCOCC1)c1ccccc1)c1ccc(C(F)(F)F)cc1 24259965 XCFFBOSLWLMQCC-GOSISDBHSA-N 414.449 3.057 0 40 HGAB COC(=O)C[C@H](NC(=O)C[C@H](NC(N)=O)c1ccccc1C)c1ccc(Cl)cc1 29977441 DNNAHWGPSUTNHM-ROUUACIJSA-N 417.893 3.169 0 40 HGAB CCCc1noc([C@@H](C)Sc2nc3cc(S(N)(=O)=O)ccc3n2CCC)n1 31739468 ZBNQCIITQYNWDD-LLVKDONJSA-N 409.537 3.283 0 40 HGAB COc1ccc(OC)c(CN2CCN(CC(=O)N3CCC[C@H]4CCCC[C@@H]43)CC2)c1 32751456 MKECULLHYWIRFG-KNQAVFIVSA-N 415.578 3.003 0 40 HGAB O=C(Nc1ccc(N2CCOCC2)cc1)[C@@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 32795438 LWFWIYTTXDTPLQ-LJQANCHMSA-N 405.498 3.004 0 40 HGAB CC(=O)N[C@@H](CC(=O)N1CCC(C(=O)c2ccc(O)cc2)CC1)c1ccc(C)cc1 32898966 ZQFJRONFCLHHRY-QFIPXVFZSA-N 408.498 3.389 0 40 HGAB Cc1ccc(N2C(=O)N=C(O)/C(=C\c3cn(CC(N)=O)c4ccccc34)C2=O)cc1C 33851666 XDHNZDRBJYAPKD-VCHYOVAHSA-N 416.437 3.250 0 40 HGAB NC(=O)[C@@H]1Cc2ccccc2CN1CC(=O)N[C@H](c1ccc(F)cc1)c1cccs1 35388335 UETZCOUQACQXDM-SIKLNZKXSA-N 423.513 3.005 0 40 HGAB Cc1ccc([C@H](CNC(=O)C2(c3ccccc3)CCOCC2)N2CCOCC2)cc1 38629513 CZVKLCIXWVYSAF-QHCPKHFHSA-N 408.542 3.233 0 40 HGAB O=C(NC1CCN(C(=O)Nc2ccc3c(c2)OC(F)(F)O3)CC1)c1ccccc1 40104167 URVNQQUJTIFWPY-UHFFFAOYSA-N 403.385 3.434 0 40 HGAB O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)c2ccccc2-n2cccn2)CC1 40115485 MXGGRDHINFVSQM-UHFFFAOYSA-N 418.453 3.092 0 40 HGAB CC(C)S(=O)(=O)c1ccc(-c2nnc(NC(=O)NCc3cccs3)o2)cc1 42381252 PNNAUMQWFGAMQJ-UHFFFAOYSA-N 406.489 3.302 0 40 HGAB CCCCn1c(=O)c2sccc2n(CC(=O)NCc2ccc(F)c(Cl)c2)c1=O 57427336 IGPWYSJEYDXWAJ-UHFFFAOYSA-N 423.897 3.134 0 40 HGAB C[C@@H](C(=O)Nc1nc2ccccc2n1-c1ccccc1)N1C(=O)NC2(CCCC2)C1=O 58246237 ADWVFUXRZKEQSQ-HNNXBMFYSA-N 417.469 3.217 0 40 HGAB CC(C)NC(=O)Nc1ccc(C(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)cc1 59368685 XAQVCVMSDVXXON-UHFFFAOYSA-N 421.501 3.337 0 40 HGAB CC1(C)CC[C@@H](NC(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)c2ccccc21 60205396 QHWSLVPPJDWHIY-NLFFAJNJSA-N 417.509 3.309 0 40 HGAB COc1cccc(NC(=O)[C@@H](NC(=O)N2CCN(c3ccccc3)CC2)C(C)C)c1 71284368 HWSWOCRVGGOGQC-NRFANRHFSA-N 410.518 3.190 0 40 HGAB O=C(c1cc(C(F)(F)F)[nH]n1)N1CCC(c2cc(Nc3ccccn3)[nH]n2)CC1 72360772 ISOVOFXGABZLEG-UHFFFAOYSA-N 405.384 3.310 0 40 HGAB CNC(=O)c1sc2ccccc2c1C[C@@H]1CCCCN1C(=O)c1ccc(N)nc1 72370451 SKDBRTBYPXGWFW-HNNXBMFYSA-N 408.527 3.476 0 40 HGAB Cn1nc(-c2ccc(F)cc2)cc1C(=O)NC[C@H](c1ccsc1)N1CCOCC1 77200730 BXOONYDQPZKPTH-HXUWFJFHSA-N 414.506 3.091 0 40 HGAB COC(=O)[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)Nc2ccccc2OC)CC1 95428462 BFGPCKPUBGGZRM-LJQANCHMSA-N 417.893 3.412 0 40 HGAB Cc1cc(C)n(Cc2cccc(C(=O)N[C@H](CO)Cc3c[nH]c4ccccc34)c2)n1 95456361 MKJHOFXIXBPXPP-NRFANRHFSA-N 402.498 3.363 0 40 HGAB O=C(NCc1ccncc1)Nc1cccc(CNC(=O)c2ccc3nsnc3c2)c1 95456862 WVDWMOYBMRNJBI-UHFFFAOYSA-N 418.482 3.338 0 40 HGAB COc1ccc(Br)c(C(=O)NCCn2ccc(-c3ccncc3)n2)c1 96026146 SSISJJXQWJRIQA-UHFFFAOYSA-N 401.264 3.146 0 40 HGAB COc1cccc(-c2nc(-c3noc4ccc(C(=O)NCCN(C)C)cc34)co2)c1 96154340 BUJYFYVPAPBRNM-UHFFFAOYSA-N 406.442 3.450 0 40 HGAB O=C(NCc1cccs1)[C@@H]1CN(C(=O)c2cc(F)cc(F)c2)CC12CCOCC2 96241165 JUMDNBNQNHNPSQ-SFHVURJKSA-N 420.481 3.212 0 40 HGAB CC(C)CN1CC2(CCN(C(=O)c3cccc(Cl)c3)CC2)[C@@]2(CCN(C)C2=O)C1 96262565 JRRCWJFJTZFSIK-QHCPKHFHSA-N 417.981 3.383 0 40 HGAB O=C(NCc1ccco1)c1nnsc1NC(=O)N1CCCC[C@@H]1c1cccnc1 101377079 WNAQZYCMRUKQJI-OAHLLOKOSA-N 412.475 3.215 0 40 HGAB CSc1nc2ccc(NC(=O)CCN3C(=O)[C@H]4CC=CC[C@H]4C3=O)cc2s1 102125783 MGHQZPWBEBVHOU-BETUJISGSA-N 401.513 3.298 0 40 HGAB CCc1cccc(C)c1NC(=O)CN1C(=O)C(=O)N([C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)C1=O 104673268 QFSHKYMSEBEEIE-LAQRGFTBSA-N 411.502 3.111 0 40 HGAB CCOC(=O)C1=C(CN2C[C@@H](C)Sc3ccccc32)NC(=O)N[C@H]1c1ccco1 107153961 FBWXVDBBZVZJSI-YJYMSZOUSA-N 413.499 3.452 0 40 HGAB COc1cccc([C@@H](NC(=O)NCCCCN2CCC[C@H](C)C2)c2nccn2C)c1 109041232 KUVNYZCDZPGCQN-GHTZIAJQSA-N 413.566 3.329 0 40 HGAB Cc1ccccc1OC[C@H](C)NC(=O)c1cc(N(C)S(C)(=O)=O)ccc1Cl 222505064 HUMPUNBSUNYADT-AWEZNQCLSA-N 410.923 3.242 0 40 HGAB CCOc1ccc(CN(C)S(=O)(=O)c2ccc(N3CCCC3=O)c(C)c2)cc1 223886298 DKPMAGIAHVCJDH-UHFFFAOYSA-N 402.516 3.341 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)N(C)c1ccccc1 225468396 MXHQMCFLWQTLQJ-UHFFFAOYSA-N 402.516 3.075 0 40 HGAB CCC[C@]1(C(=O)OCC)N[C@H](c2ccccc2F)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 245229586 BMJHXWPMQWXXQF-KTIHBUSBSA-N 424.472 3.378 0 40 HGAB CCn1c(COc2ccccc2F)nnc1SCC(=O)N[C@H]1C[C@H]2CC[C@H]1C2 250457281 RWIGTADHRSADJS-DZKIICNBSA-N 404.511 3.413 0 40 HGAB C[C@]12CC[C@@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@H]2NC(=O)CN1CCOCC1 253499255 DMLFUNWWXDIAEI-UMAXPZNWSA-N 418.622 3.207 0 40 HGAB biogenic CC(=O)N[C@H]1CC[C@](CNC(=O)Nc2ccc(F)cc2)(c2ccccc2)CC[C@@H]1O 257274381 NKUXGBYSIGZLQR-FUDKSRODSA-N 413.493 3.325 0 40 HGAB CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCC(C)(C)C)C2)cc1Cl 260710245 FSAQPPCPJABTLN-AWEZNQCLSA-N 416.971 3.302 0 40 HGAB Cn1nccc1C(=O)N1CCC[C@@H](c2nc3ccc(NCc4ccccc4)cn3n2)C1 306137528 QZDXPBPGIZPGNV-GOSISDBHSA-N 415.501 3.095 0 40 HGAB O=C1c2cccn2[C@H]2CN(Cc3ccc4c(c3)OCO4)C[C@H]2N1Cc1ccccc1 306140282 UOWICAOSLDFADU-LEWJYISDSA-N 401.466 3.298 0 40 HGAB COc1cccc(NS(=O)(=O)c2ccc(OCC(=O)NCCC(C)C)cc2)c1 408592753 OHXWSMGTDRDBGU-UHFFFAOYSA-N 406.504 3.037 0 40 HGAB O=C(COC(=O)c1cccc(N2C(=O)CCC2=O)c1)Nc1ccc(Cl)c(Cl)c1 408666827 STWVURUVQFYJMT-UHFFFAOYSA-N 421.236 3.442 0 40 HGAB Cc1cccc(CNC(=O)c2ccccc2NC(=O)C(=O)NCc2ccccc2C)c1 408710375 ZOMYPLATQPTIBM-UHFFFAOYSA-N 415.493 3.488 0 40 HGAB COc1ccc(-c2nnc(CN(C)C(=O)COc3ccc(C)c(C)c3)o2)cc1OC 408714128 JGVJFVKWXFDKCV-UHFFFAOYSA-N 411.458 3.408 0 40 HGAB Cc1cccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(OC(C)C)cc3)C2)c1 409138487 COMXSZHKQVRXQW-KRWDZBQOSA-N 410.470 3.317 0 40 HGAB CCCN(CCC)C(=O)CN1C(=O)S/C(=C\c2ccc(OC)cc2OC)C1=O 409217356 PKHLBBMBJBAIOE-BOPFTXTBSA-N 406.504 3.389 0 40 HGAB CN(C)S(=O)(=O)c1cc(C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)co1 535148742 VMIZTTOGWIUNHL-ZDUSSCGKSA-N 419.528 3.159 0 40 HGAB O=C(c1cnc(OCc2ccccc2)cn1)N1C[C@@H](O)C[C@@H]1c1ccc(F)c(F)c1 557212408 XGRMUHRWMOJXDJ-OXJNMPFZSA-N 411.408 3.282 0 40 HGAB COc1cncc(-c2ccc3c(c2)C2(CCOCC2)CN3C(=O)CCCNC(C)=O)c1 585105861 VKWFYRCJVDECEK-UHFFFAOYSA-N 423.513 3.068 0 40 HGAB CCOC(=O)c1ccc(S(=O)(=O)Nc2cc(C)nn2-c2ccc(F)cc2)cc1 608927336 WSXYZFSSWKPVAY-UHFFFAOYSA-N 403.435 3.297 0 40 HGAB CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@@H](Oc2cccc(F)c2)C1 670062121 YIARMLPBMVBINY-MRXNPFEDSA-N 420.448 3.411 0 40 HGAB O=S(=O)(NC[C@H](O)c1ccc(-c2cccs2)cc1)c1cccc2nsnc12 1775978982 WZZBTFQADFOKFT-HNNXBMFYSA-N 417.537 3.432 0 40 HGAB O=C(c1cc(C2CC2)on1)N1CCC[C@H](COc2ncc(Br)cn2)C1 1775995779 INQAMBFIWAMJQL-NSHDSACASA-N 407.268 3.036 0 40 HGAB COc1ccc(Cl)cc1C(=O)N1CCN(c2ccc(C(F)(F)F)nn2)CC1 1888864430 OYJWXLPUPHAZCG-UHFFFAOYSA-N 400.788 3.120 0 40 HGAB COC(=O)[C@@](NNc1cccc(Cl)c1)(NC(=O)c1ccccc1C)C(F)(F)F 2050384 HXDBZZACZUCUJH-KRWDZBQOSA-N 415.799 3.427 0 40 HGAB CCOc1ccc([C@@H]2C(C(=O)OC)=C(C)N=C3S[C@H](C)C(=O)N32)cc1OCC 2503541 SCFDTKCXLPJMJR-SJKOYZFVSA-N 404.488 3.306 0 40 HGAB Cc1c(C(=O)OCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)oc2ccccc12 2663259 XXGALKIATPTWIC-UHFFFAOYSA-N 419.437 3.335 0 40 HGAB CC(=O)Nc1ccc(S(=O)(=O)N2CCN=C2S[C@@H](C)c2ccccc2)cc1 2711472 KCBALDUYHWZMOP-AWEZNQCLSA-N 403.529 3.500 0 40 HGAB CC(C)(C)[C@@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)N3CCOCC3)c2C1 3464986 LMXPBKSBRLOXHA-MRXNPFEDSA-N 410.514 3.401 0 40 HGAB CN(C)S(=O)(=O)c1cccc(C(=O)Nc2nc(-c3ccc(F)cc3)cs2)c1 3483537 XXMRMRCQFAMAJE-UHFFFAOYSA-N 405.476 3.452 0 40 HGAB COC(=O)c1ccc2c(=O)[nH]c(CSc3nnc4sc5ccccc5n34)nc2c1 3495711 PDNUXVDKCALHBC-UHFFFAOYSA-N 423.479 3.259 0 40 HGAB COc1ccc(OCc2nnc(S[C@@H]3CCOC3=O)n2-c2ccccc2F)cc1 4246837 WBHYDNDOWHKQFR-QGZVFWFLSA-N 415.446 3.402 0 40 HGAB Cc1ccc(-n2c(C)cn3c4c(=O)n(Cc5ccccc5)c(=O)n(C)c4nc23)c(C)c1 4370367 JGCVQIPKNIOCRC-UHFFFAOYSA-N 413.481 3.112 0 40 HGAB Cc1ccc(NC(=O)Cc2nnc(SCC(=O)N[C@H](C)c3ccccc3)n2C)cc1 4777238 FCYWRLQAOZEIOD-MRXNPFEDSA-N 423.542 3.274 0 40 HGAB Cc1c(C(=O)N2CCC3(CC2)OCCO3)sc2nc(-c3ccc(F)cc3)cn12 4930869 SOPJGYNZYOPQRJ-UHFFFAOYSA-N 401.463 3.489 0 40 HGAB CCOC(=O)C1=C(C)Oc2ncn3nc(-c4ccccn4)nc3c2[C@H]1c1ccco1 5345599 WZPYFKCELWLBAA-INIZCTEOSA-N 403.398 3.141 0 40 HGAB C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)NCCCSc1ccccc1)C2=O 6784904 ZRDIQCGSJWAESJ-KSFYIVLOSA-N 417.575 3.422 0 40 HGAB CN(CC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1)c1ccc2ccccc2c1 7211806 OMYULJLIFGFTMM-OAQYLSRUSA-N 400.544 3.234 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1OC 7309546 TWIQJCVDQBJXGT-INIZCTEOSA-N 405.472 3.001 0 40 HGAB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NC(=O)CN3CCCCCC3)cc2)C1 7339656 ZXMUBSCVNKOHLD-QZTJIDSGSA-N 407.580 3.168 0 40 HGAB CCN(CC(=O)Nc1ccccc1OC)C(=O)[C@H]1CC(=O)N([C@@H](C)c2ccccc2)C1 7735542 PMOOBPKOCZGAEU-HKUYNNGSSA-N 423.513 3.092 0 40 HGAB Cc1ccc(-n2c(SCC(=O)NCC(F)(F)F)nc3ccccc3c2=O)cc1 7755933 MZZHPOLFKPQRGC-UHFFFAOYSA-N 407.417 3.465 0 40 HGAB CCOC(=O)c1ccc(N2C[C@H](C(=O)O[C@@H](C)C(=O)c3ccccc3)CC2=O)cc1 7881375 USQMFSZUKKZQCH-MAUKXSAKSA-N 409.438 3.031 0 40 HGAB CCOC(=O)c1c(NC(=O)CSc2ccc(F)cc2F)sc(C(N)=O)c1C 7921246 PVWGSTDEKSHFTL-UHFFFAOYSA-N 414.455 3.341 0 40 HGAB Cc1occc1C(=O)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 8050753 NTNPTBUKJCUCCA-UHFFFAOYSA-N 403.287 3.042 0 40 HGAB CCc1ccccc1NC(=O)CN(C)CC(=O)Nc1ccc(C(=O)OC(C)C)cc1 8170905 XGMJZVQCOPIZDH-UHFFFAOYSA-N 411.502 3.323 0 40 HGAB CCn1nnnc1SCC(=O)N1N=C(c2cccs2)C[C@H]1c1cccs1 8315062 ZHUBACLOHHQKFS-LBPRGKRZSA-N 404.546 3.286 0 40 HGAB Cc1noc(C)c1COc1ccc(C(=O)N2CCN(C(=O)c3ccco3)CC2)cc1 8345544 MINIWAUEFUSXFK-UHFFFAOYSA-N 409.442 3.062 0 40 HGAB O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)c1ccc(Br)s1 8428948 DDFXCNOUIFIRFJ-KRWDZBQOSA-N 405.273 3.087 0 40 HGAB O=C(CCC(=O)OCC(=O)Nc1ccccc1C(F)(F)F)NCc1ccccc1 8433585 XPPUYCHFPCFUFI-UHFFFAOYSA-N 408.376 3.284 0 40 HGAB O=C(Cn1nc(O)c2ccccc2c1=O)N1CCc2sccc2[C@H]1c1cccs1 8733813 IVXZNWPKSPDOQN-IBGZPJMESA-N 423.519 3.399 0 40 HGAB CCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCC(C)(C)C(=O)N3)cc1F 9169112 MEHIJNUOKMCKPU-UHFFFAOYSA-N 408.451 3.382 0 40 HGAB CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)CSc1nnnn1CC 9377008 LOBACXWLIOXRNJ-UHFFFAOYSA-N 417.516 3.329 0 40 HGAB COc1cccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc4nccnc4c3)C2=O)c1 9420901 DCNGUTMDWRMVFP-ZDLGFXPLSA-N 420.450 3.313 0 40 HGAB COc1ccc(CNC(=O)CSc2nnc(-c3ccc(C)cc3)n2C)cc1OC 10263858 VCVHPVYKYHMPQZ-UHFFFAOYSA-N 412.515 3.216 0 40 HGAB CC(C)[C@@H](NC(=O)CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O)c1cccs1 10611442 MNFGYRQNFGEPBM-FXAWDEMLSA-N 424.526 3.206 0 40 HGAB O=C(O[C@@H](C(=O)NC1CC1)c1ccccc1)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 11063016 MRNKWIAVPIMVFF-WIYYLYMNSA-N 424.472 3.241 0 40 HGAB COC(=O)[C@H]1CN(C(=O)CN(C)Cc2ccc(C(C)(C)C)cc2)c2ccccc2O1 11201905 JGGCSOXETFTJLT-OAQYLSRUSA-N 410.514 3.383 0 40 HGAB CCn1nnc2cc(C(=O)Nc3nc(-c4ccc(CNC(C)=O)cc4)cs3)ccc21 11522659 MBMLMPPHNBWSJT-UHFFFAOYSA-N 420.498 3.463 0 40 HGAB C[C@@H]1CN(C(=O)CSc2nnc(Cc3cccs3)n2-c2ccccc2)CCO1 12588691 VZDRTPJKDOJKMY-OAHLLOKOSA-N 414.556 3.259 0 40 HGAB CCOc1ccc(OCCCC(=O)N(CC)CC(=O)NCc2cccs2)cc1 12921340 DUGNMGSIJRYGCS-UHFFFAOYSA-N 404.532 3.471 0 40 HGAB COc1ccc(/C=C(/NC(=O)c2ccco2)C(=O)Nc2ccc(C(=O)O)cc2)cc1 13400794 FTPJFRAFKJQZFJ-QGOAFFKASA-N 406.394 3.396 0 40 HGAB COc1ccc(F)cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccccc2F)C1 13580643 XAROQYUSKBOHRS-ZDUSSCGKSA-N 410.442 3.013 0 40 HGAB COc1ccc2[nH]c(C(=O)NCCCC(=O)Nc3nc(C)cs3)cc2c1OC 13736433 KGLNPQUAKFOAIZ-UHFFFAOYSA-N 402.476 3.099 0 40 HGAB Cc1ccc2nc(SCC(=O)NCC3(N4CCOCC4)CCCCC3)[nH]c2c1 14638025 CUASSZVMXNNQQY-UHFFFAOYSA-N 402.564 3.115 0 40 HGAB CC(=O)Nc1nnc(SCc2cc(=O)c(OC(=O)c3ccc(C)cc3)co2)s1 16047715 UTWALVNVLQSTFG-UHFFFAOYSA-N 417.468 3.270 0 40 HGAB COc1ccc(CN2CCO[C@](Cc3cccc(-c4cccnc4)c3)(C(N)=O)C2)cc1 19555427 GXRONBSEDFFCPW-VWLOTQADSA-N 417.509 3.056 0 40 HGAB COCC(=O)N1CCCc2ccc(NS(=O)(=O)c3cc(C)c(C)cc3OC)cc21 21756827 AQYDOMIAKFQCFG-UHFFFAOYSA-N 418.515 3.038 0 40 HGAB Cc1ccccc1N(CC(=O)NCc1cccc(C(F)(F)F)c1)S(C)(=O)=O 21872822 LEQYGLMFGGZVGZ-UHFFFAOYSA-N 400.422 3.096 0 40 HGAB CCOc1ccc(N2C[C@@H](C(=O)O[C@H](C)C(=O)c3ccc(OC)cc3)CC2=O)cc1 22085466 HLIRJHANGMTDAR-WBVHZDCISA-N 411.454 3.261 0 40 HGAB CC(C)(C)OC(=O)NCc1ccc(C(=O)Nc2ccc(N3CCOCC3)nc2)cc1 22189485 SYYAYMXOEBZMLJ-UHFFFAOYSA-N 412.490 3.195 0 40 HGAB C[C@@H]1C[C@@H](C)CN(Cc2csc(NC(=O)c3ccc(N4CCOCC4)nc3)n2)C1 22296757 FBXXHBVNUYDIFB-HZPDHXFCSA-N 415.563 3.105 0 40 HGAB COC(=O)C1CCN([C@@H](c2ccccc2Cl)c2sc3nc(C)nn3c2O)CC1 22626330 DJWIFCYHIDHVJJ-HNNXBMFYSA-N 420.922 3.433 0 40 HGAB COc1cc(CCC(=O)N2CCN(Cc3ccccc3F)CC2)cc(OC)c1OC 23441425 JXKBGDLMTFZQBC-UHFFFAOYSA-N 416.493 3.129 0 40 HGAB O=C1c2cccc3cccc(c23)N1CN1CCN(Cc2ccc3c(c2)OCCO3)CC1 23844306 KJZXPRLJODODAT-UHFFFAOYSA-N 415.493 3.347 0 40 HGAB Cc1ccc(NC(=O)[C@H](C)N(C)CC(=O)N2c3ccccc3NC(=O)C[C@H]2C)c(C)c1 24829089 KMKJIHREKGDYNE-MSOLQXFVSA-N 422.529 3.326 0 40 HGAB O=C(CSCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)NCCCOCC1CC1 25061817 BQEXPLMXTYWRHE-UHFFFAOYSA-N 421.588 3.030 0 40 HGAB O=C(Cc1coc(-c2ccccc2)n1)Nc1ccccc1C(=O)NC[C@H]1CCCO1 26414332 ZJISHSYFBZOCED-GOSISDBHSA-N 405.454 3.432 0 40 HGAB COc1ccccc1[C@H](CNC(=O)CNC(=O)c1cccc(Cl)c1)N1CCCC1 27571598 MSUPUOPNHCGEOJ-IBGZPJMESA-N 415.921 3.032 0 40 HGAB COC(=O)C[C@@H](NC(=O)C[C@@H](NC(N)=O)c1ccccc1C)c1ccc(Cl)cc1 29977430 DNNAHWGPSUTNHM-QZTJIDSGSA-N 417.893 3.169 0 40 HGAB CN(C(=O)CN(c1ccccc1Br)S(C)(=O)=O)C1CCCCC1 30863486 CTAGUGYLNKLPPI-UHFFFAOYSA-N 403.342 3.006 0 40 HGAB O=C(CCn1[nH]c(=O)c2ccccc2c1=O)Nc1ccccc1N1CCCCCC1 31097442 BDMHWAZQERDYON-UHFFFAOYSA-N 406.486 3.099 0 40 HGAB CN(C)Cc1ccc(-c2ccccc2CNC(=O)c2cccc(-n3cnnn3)c2)cc1 32908706 HILPMTPHKRHOSF-UHFFFAOYSA-N 412.497 3.321 0 40 HGAB COc1ccccc1/C=C/C=c1/sc2nc(-c3ccc(OC)c(OC)c3)nn2c1=O 33432532 TXUNEOAPGSWZIV-ZLLVOAMZSA-N 421.478 3.057 0 40 HGAB CCOC(=O)c1ccc(COc2ccc(N3C(=O)[C@H]4[C@H]5C=C[C@H](C5)[C@H]4C3=O)cc2)o1 36083534 BXGYIWJXGMPZCM-YKLJGAPNSA-N 407.422 3.347 0 40 HGAB COc1cccc(-c2cc3nc(SCCN4CCCCC4)n(N)c(=O)c3s2)c1 36646163 YZPUAPIQKQEHKV-UHFFFAOYSA-N 416.572 3.425 0 40 HGAB Cc1ccc(NCC(=O)N[C@@H](C)c2cc3ccccc3o2)cc1S(=O)(=O)N(C)C 39987700 JOOLVXFTVYJKKP-HNNXBMFYSA-N 415.515 3.281 0 40 HGAB CCCCc1nc(C)c(C(=O)Nc2ccc(CC(=O)N3CCOCC3)cc2)s1 40094630 CDUJTXRZGFIEEH-UHFFFAOYSA-N 401.532 3.448 0 40 HGAB COc1ccc(Cc2nnc(NC(=O)[C@H]3CC(=O)N(C)[C@@H]3c3ccccc3)s2)cc1 40268918 PSWZRQGUYVEBAF-FXAWDEMLSA-N 422.510 3.296 0 40 HGAB CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)Nc1ccc(OC)c(Cl)c1 40284921 SAHLZMAKAWLYNL-OAQYLSRUSA-N 413.861 3.286 0 40 HGAB O=C(NCC1CCN(S(=O)(=O)C2CC2)CC1)Nc1ccccc1C(F)(F)F 44004034 DUONBFCUSTWYGW-UHFFFAOYSA-N 405.442 3.031 0 40 HGAB CCOc1ccccc1CCCNS(=O)(=O)c1ccc(N2CCCC2=O)cc1 44839923 UUZLUHDVQLBDIV-UHFFFAOYSA-N 402.516 3.123 0 40 HGAB CCOC(=O)c1ccc(NS(=O)(=O)c2cc(Cl)sc2C(=O)OC)cc1 44921709 YTOPSGQLMNPZIQ-UHFFFAOYSA-N 403.865 3.166 0 40 HGAB COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CCC[C@@H]1c1ccsc1 46089346 KGYUCIYERCWPDN-VQTJNVASSA-N 411.527 3.267 0 40 HGAB CN(C)[C@H](CNS(=O)(=O)c1ccc(Br)s1)c1cccc(F)c1 47032806 PONZQJLXKHCDRY-GFCCVEGCSA-N 407.330 3.231 0 40 HGAB CCOC(=O)c1ccc(NC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)nc2)cc1 48012737 DFXVPUKHLQGEMF-HZPDHXFCSA-N 412.490 3.194 0 40 HGAB Cc1cccc(-n2c(=O)c3sccc3n(CC(=O)NC3CCCCC3)c2=O)c1C 67218300 KWKRMMYCXAQJCO-UHFFFAOYSA-N 411.527 3.280 0 40 HGAB CC[C@H](C(=O)N1CCC(NC(=O)c2cccc(C(=O)OC)c2)CC1)c1ccccc1 72056911 DCGDKMKLVLHQFN-NRFANRHFSA-N 408.498 3.388 0 40 HGAB COc1ccc2c(c1)O[C@@]1(C[C@H]3CC[C@@H]1C[C@@H]3C(=O)NCc1cccs1)NC2=O 72339162 TWBQDQTVERPRNQ-OECMAUMKSA-N 412.511 3.328 0 40 HGAB COCCNC(=O)c1cc([C@H]2CCN(C(=O)c3scnc3C)C2)nc2ccccc12 72352668 RQSSEYDWSNMCLT-HNNXBMFYSA-N 424.526 3.006 0 40 HGAB CCS(=O)(=O)N1CCC[C@@H]1c1nc(C)c2c(n1)N(CCc1ccccc1)CCC2 72373810 ISYFDUMAUGFDCM-HXUWFJFHSA-N 414.575 3.267 0 40 HGAB CC(C)C(=O)N1CCO[C@](Cc2cccc(-c3ccccc3)c2)(C(=O)NC2CC2)C1 72389115 FGIPHLVSNRUQKF-VWLOTQADSA-N 406.526 3.428 0 40 HGAB CCc1ccc(S(=O)(=O)N2CC(c3nc(Cc4ccccc4OC)no3)C2)s1 77191400 AJUOVSFAMKCXEZ-UHFFFAOYSA-N 419.528 3.081 0 40 HGAB Cc1cccn2cc(COc3ccccc3C(=O)N3CC[S@@](=O)C(C)(C)C3)nc12 79071724 WXJBPDJAMSAQAN-LJAQVGFWSA-N 411.527 3.205 0 40 HGAB COc1cc(C(C)=O)ccc1OCC(=O)NC1CCN(C(=O)c2ccc(C)cc2)CC1 89629618 VDYLFKFUDABBFW-UHFFFAOYSA-N 424.497 3.006 0 40 HGAB CCn1ccnc1[C@H](NC[C@@H]1CCOC1)c1ccc(I)cc1 95452950 MMYRFVCGRLJOSE-XJKSGUPXSA-N 411.287 3.223 0 40 HGAB COCCN(C)C(=O)[C@@H]1C[C@]2(CO1)CN(Cc1ccc(F)cc1F)c1ccccc12 96143989 SUIIDKOBPDSMTD-JTHBVZDNSA-N 416.468 3.117 0 40 HGAB CN(C)C(=O)C[C@H]1CC2(CCN(C(=O)COc3ccccc3)CC2)Oc2ccccc21 96242914 KHFDBANYASSCHI-IBGZPJMESA-N 422.525 3.471 0 40 HGAB CCN1CC[C@@]2(CN(CC(C)C)CC23CCN(C(=O)c2ccc(F)cc2)CC3)C1=O 96262769 HKNATMNYZVSHRG-XMMPIXPASA-N 415.553 3.258 0 40 HGAB c1nnn(C23C[C@@H]4C[C@H](CC(c5nc6c7c8c(sc7ncn6n5)CCC8)(C4)C2)C3)n1 101183184 YLCBZEUBLFMIFF-QQRKTFAASA-N 418.530 3.061 0 40 HGAB CN1C(=O)NC(=O)/C(=C(O)\C=C\c2cn(Cc3ccccc3)c3ccccc23)C1=O 101403789 QVRMHVHZCLXRQY-SEKJBOIESA-N 401.422 3.223 0 40 HGAB COc1ccc([C@H]2C=C(C(=O)O)Nc3c(C(=O)Nc4cccc(OC)c4)cnn32)cc1 102810665 SUHBFUFYVFYRQI-LJQANCHMSA-N 420.425 3.136 0 40 HGAB CCn1c(S)nc2cc(C(=O)NCc3cc(Br)cs3)ccc2c1=O 103469644 SPULWZGACPDBSJ-UHFFFAOYSA-N 424.345 3.459 0 40 HGAB O=C(N[C@H](c1ccccn1)[C@@H]1CCCN(C(=O)C2[C@@H]3CCCC[C@@H]23)C1)[C@H]1CCCO1 247509923 SQEXUZFWXRQSRK-NMQFWJSBSA-N 411.546 3.093 0 40 HGAB COc1ccccc1Cc1cnc([C@H]2CCCCN2C(=O)c2cc(C)nc(N)n2)o1 257312038 UMEHTDZVWKMIFT-GOSISDBHSA-N 407.474 3.322 0 40 HGAB COc1ccc(N2CC[C@](C)(C(=O)Nc3ccc(OC)c(Cl)c3)S2(=O)=O)cc1 260826538 CJOGXVCTRRGASO-LJQANCHMSA-N 424.906 3.295 0 40 HGAB Cc1cc(C)c([C@@H](C)NC(=O)[C@H]2CN(S(C)(=O)=O)c3ccccc3O2)cc1C 260932733 MPJHRCJUAOFGQW-OXQOHEQNSA-N 402.516 3.016 0 40 HGAB CNc1ncc(-c2nc(C(=O)N3CCN(c4ccccc4)CC3)c3ccccn23)s1 306123044 ADHTWXXSLDNQTM-UHFFFAOYSA-N 418.526 3.462 0 40 HGAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C)CC)CC2)cc1Cl 408585295 YNRLTOOPCCJRPV-CYBMUJFWSA-N 402.944 3.054 0 40 HGAB CCCNS(=O)(=O)c1ccc(OCC(=O)N[C@@H](C)CCc2ccccc2)c(C)c1 408620464 JUYSDFFIHOFJKX-SFHVURJKSA-N 418.559 3.200 0 40 HGAB CN(c1ccccc1C(=O)NCCSCc1cccc(Cl)c1)S(C)(=O)=O 409344317 ISNWLUSQJABAFX-UHFFFAOYSA-N 412.964 3.399 0 40 HGAB CCN1CCN(C(=O)c2ccc(C)c(S(=O)(=O)Nc3cc(C)cc(C)c3)c2)CC1 409411031 SOXITUMBWWINFS-UHFFFAOYSA-N 415.559 3.190 0 40 HGAB CCC[C@@H](C)NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)cc1 409411420 WLYIHCIFUGBXFG-OAHLLOKOSA-N 408.495 3.334 0 40 HGAB Cc1cc(C)cc([C@@H]2CCN(C(=O)Nc3cc(C)nn3[C@H]3CCS(=O)(=O)C3)C2)c1 558244169 LMQWVINRCGZIOV-MJGOQNOKSA-N 416.547 3.189 0 40 HGAB Cc1cc(C(=O)NC2CCN(C(=O)CCCc3ccc4c(c3)CC(=O)N4)CC2)c(C)o1 591191268 KVYIPBVWHZYVAF-UHFFFAOYSA-N 423.513 3.135 0 40 HGAB OC[C@H]1[C@H](O)C[C@@H](NCC2CC2)[C@@H]1Cc1ccnc(-c2cccc(C(F)(F)F)c2)n1 604382175 IZYMJVRPWDXBFG-UAFMIMERSA-N 421.463 3.062 0 40 HGAB biogenic,in-vitro Cc1cc(N2C[C@@H]3CN(c4ccc(C(F)(F)F)cn4)C[C@@H]3C2)n2nc(C)cc2n1 1888888404 SJECZEXACLGQSN-GASCZTMLSA-N 402.424 3.333 0 40 HGAB O=C(c1noc2c1CCCC2)N1CC[C@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@@H]21 1889139473 IFLPXSWNRUWYQA-WFASDCNBSA-N 406.408 3.318 0 40 HGAB CCOC(=O)[C@@H]1CCCN(C(=O)N[C@@]2(C(F)(F)F)Oc3ccc(Cl)cc3O2)C1 646260 SYKLQYCTRSITGN-QGHHPUGFSA-N 422.787 3.312 0 40 HGAB COc1ccc(NC(=O)C2=C(C)NC(=S)N[C@@H]2c2ccc(OC)cc2OC)cc1 862587 JIJGMWLPPQKPMD-LJQANCHMSA-N 413.499 3.144 0 40 HGAB Cc1ccc2c(c1)[C@@]1(S[C@@H](CC(=O)O)C(=O)N1c1ccc(Cl)cc1)C(=O)N2 1610110 JACIJGQBKSMLHZ-HNAYVOBHSA-N 402.859 3.377 0 40 HGAB CCSCC[C@H](NC(=O)Cc1c(C)c2cc3c(C)coc3cc2oc1=O)C(=O)O 2121999 VHATXJKTYVRTBY-INIZCTEOSA-N 417.483 3.411 0 40 HGAB biogenic O=C1C[C@@H](NNc2c(F)c(F)c(F)c(F)c2F)C(=O)N1c1ccc(Cl)cc1 2727559 HIQRSBKMKPMGNZ-MRVPVSSYSA-N 405.710 3.284 0 40 HGAB Cc1nn(C)cc1[C@@H](C)NC(=O)[C@H](C)n1nc(C(F)F)c(Br)c1C 2780448 LYIUBPPBLUSKCC-XCBNKYQSSA-N 404.259 3.372 0 40 HGAB COCCOC(=O)Cn1cnc2scc(-c3ccc(OC(C)C)cc3)c2c1=O 2887973 LJAFHLVOOZVXDE-UHFFFAOYSA-N 402.472 3.102 0 40 HGAB CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)O[C@@H](C)C(=O)Nc1cccc(Cl)c1 3340524 JSDBYYRACRTOOC-ORAYPTAESA-N 400.862 3.184 0 40 HGAB Cc1ccc(Cl)c(NC(=O)CN2C(=O)N[C@H](Cc3ccccc3)C2=O)c1Cl 3431018 XGPFJXCQHINHAH-CQSZACIVSA-N 406.269 3.403 0 40 HGAB CCOc1ccc(C(=O)OCC(=O)Nc2ccccc2C(=O)OC)cc1OCC 3441863 NODVFYOVPSUORX-UHFFFAOYSA-N 401.415 3.066 0 40 HGAB Cc1ccc(N2C[C@H](NC(=O)N3CCN(c4ccc(F)cc4)CC3)CC2=O)cc1C 4272598 MCNDWPFFTDUOIE-LJQANCHMSA-N 410.493 3.080 0 40 HGAB O=C(Cn1cc(C(=O)C(F)(F)F)c2ccccc21)NCc1ccc2c(c1)OCO2 4450111 ZGRKNVAZEZLZDU-UHFFFAOYSA-N 404.344 3.431 0 40 HGAB CCSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)NCCCOC)cc1 4815760 BANOLTXOGNSKMG-UHFFFAOYSA-N 408.545 3.366 0 40 HGAB NC(=O)c1ccc(NC(=O)COC(=O)c2cccc(OCc3ccccc3)c2)cc1 6589520 NWRMEFIYNIOSQV-UHFFFAOYSA-N 404.422 3.160 0 40 HGAB COc1ccc(C2=NN(C(=O)Cn3nnc4ccccc43)[C@@H](c3ccco3)C2)cc1 6652626 IDNSDEZCYKZNBF-HXUWFJFHSA-N 401.426 3.411 0 40 HGAB Cc1ccc(Nc2nc(Oc3ccc(=O)n(-c4ccccc4)n3)nc(N(C)C)n2)cc1 6745555 NOLLUHUIEFPPRK-UHFFFAOYSA-N 415.457 3.328 0 40 HGAB O=C([C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1)N1CCCc2ccccc21 7683712 GABQYPZEPUTFOS-IBGZPJMESA-N 404.919 3.473 0 40 HGAB CCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)C(=O)c1ccc2ccccc2n1 7810609 VOAOEDPBNADSTG-UHFFFAOYSA-N 418.453 3.151 0 40 HGAB CCc1ccc(N2C[C@H](C(=O)Oc3cccc(N4C(=O)CCCC4=O)c3)CC2=O)cc1 7928577 AZKYFNDXYMJFEA-QGZVFWFLSA-N 420.465 3.251 0 40 HGAB COc1ccccc1[C@@H]1[C@@H](C(=O)NCCN(C)C)CCC(=O)N1c1ccc(C)cc1 7987383 NNDOECCHAVBTMV-NZQKXSOJSA-N 409.530 3.166 0 40 HGAB CN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 8312076 HGRDOCYIERIZFR-UHFFFAOYSA-N 406.813 3.278 0 40 HGAB Cc1ccccc1-n1nnnc1SCC(=O)N1CCS[C@H]1c1ccccc1F 8323909 PXFXROBOPVALQU-SFHVURJKSA-N 415.519 3.476 0 40 HGAB COc1cccc(N2C[C@H](CNS(=O)(=O)c3ccc4ccccc4c3)OC2=O)c1 8838788 SDZFAWSHLDNQDU-IBGZPJMESA-N 412.467 3.152 0 40 HGAB COc1cc(C)ccc1OCc1nnc(SCC(=O)N2CCc3ccccc32)n1C 9303826 PEGWNSLRSYJIOW-UHFFFAOYSA-N 424.526 3.393 0 40 HGAB CCN(CC)CCn1cnc2c(c(C)c(C)n2-c2ccc(Br)cn2)c1=N 9423353 AEQUJMGFANZBHR-UHFFFAOYSA-N 417.355 3.423 0 40 HGAB Cc1cc(C(=O)CSc2ncnc3sccc23)c(C)n1[C@H]1CCS(=O)(=O)C1 9643328 CIOGFNABPCTGHB-ZDUSSCGKSA-N 421.569 3.444 0 40 HGAB COc1ccc2nc(-c3ccc(OC)c(NC(=O)c4ccc5c(c4)OCO5)c3)cn2n1 11693429 GNVMTNKJLYAVQG-UHFFFAOYSA-N 418.409 3.395 0 40 HGAB COc1cccc2cc(-c3ccc(OCC(=O)N4CCC(=O)CC4)cc3)c(=O)oc12 12321063 NSTFKQDRBAQQAX-UHFFFAOYSA-N 407.422 3.039 0 40 HGAB COc1ccc([C@@H](NC(=O)c2cccc(Nc3ncccn3)c2)c2nccn2C)cc1 12552521 YKMZFNKBLMTEBU-HXUWFJFHSA-N 414.469 3.482 0 40 HGAB COC(=O)c1cc(NC(=O)/C=C/c2ccc3c(c2)OCCCO3)cc(C(=O)OC)c1 12795228 MHIISBSBPWNAFG-FNORWQNLSA-N 411.410 3.073 0 40 HGAB CCC[C@@H]1NC(=O)N(CC(=O)N(Cc2ccco2)C23CC4CC(CC(C4)C2)C3)C1=O 12875699 QAFPWFPMLPQQKH-UVLALUNPSA-N 413.518 3.298 0 40 HGAB Nc1nc(S[C@H]2c3cccc4cccc(c34)[C@@H]2NS(=O)(=O)c2ccccc2)n[nH]1 13151298 SZVJRGZJZCMGMH-ROUUACIJSA-N 423.523 3.407 0 40 HGAB COc1cccc(NC(=O)C[C@@H]2C(=O)Nc3nc(SCc4ccccc4)nn32)c1 13731956 FUJUEKNRQQUQNF-MRXNPFEDSA-N 409.471 3.101 0 40 HGAB Cc1cc(N2CCN(c3cnn(-c4ccccc4)c(=O)c3Cl)CC2)nc(C(C)C)n1 14163216 WHDXQSNKFXQPEM-UHFFFAOYSA-N 424.936 3.434 0 40 HGAB Cc1ccc(CNC(=O)NCC(=O)Nc2cccc(I)c2)cc1 14270340 ZQNDZVIPNGIBDB-UHFFFAOYSA-N 423.254 3.038 0 40 HGAB COc1ccc(-c2cc(C(=O)N3CCN(C(C)=O)CC3)c3ccccc3n2)cc1OC 16643491 RJGIXWJBSKBCEQ-UHFFFAOYSA-N 419.481 3.223 0 40 HGAB Cc1ccc([C@H](NC(=O)c2ccnc(N3CCOCC3)c2)c2ccncc2)cc1C 19213626 NFFRAOJDSUFVIU-HSZRJFAPSA-N 402.498 3.449 0 40 HGAB O=C(c1cc(C2CCN(Cc3ccc(Cl)cc3)CC2)no1)N1CCC[C@H](O)C1 19333820 HOZBNBORKNWGPE-SFHVURJKSA-N 403.910 3.305 0 40 HGAB Cc1cc(C(F)(F)F)c2c([C@H]3CCCN(C(=O)C[C@@H](C)n4cncn4)C3)noc2n1 19568617 BHLHTAQEDFCRBN-OLZOCXBDSA-N 422.411 3.499 0 40 HGAB Cc1nc2ccccc2c(=O)n1CC(=O)Nc1nnc([C@H](C)Oc2ccccc2)s1 19715249 RRMVBHILUOZHQX-ZDUSSCGKSA-N 421.482 3.335 0 40 HGAB CCOC(=O)c1[nH]c(C)c(C(=O)CSc2nc3sccc3c(=O)n2C)c1C 21438454 FODMSMDMQSWLQA-UHFFFAOYSA-N 405.501 3.092 0 40 HGAB CCCCCNC(=O)COc1ccc(N(Cc2ccccc2F)S(C)(=O)=O)cc1 22233734 CJPGACHLGJFMCW-UHFFFAOYSA-N 422.522 3.477 0 40 HGAB Cc1ccc([C@H](CNC(=O)c2ccccc2Br)N2CCN(C)CC2)cc1 22794921 IAWOSJOBWVJLKG-FQEVSTJZSA-N 416.363 3.476 0 40 HGAB COc1ccc(C)cc1CN1CCN(CC(=O)Nc2ccnn2C2CCCC2)CC1 22801400 RPOHTHXVCLDRAG-UHFFFAOYSA-N 411.550 3.072 0 40 HGAB CCOc1cc2c(cc1CN(CCN1CCOCC1)Cc1cccnc1)O[C@H](C)C2 22931504 VNJGADMVANRBNI-LJQANCHMSA-N 411.546 3.138 0 40 HGAB Cc1cnc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccccc2F)s1 23055196 QVQJPGYCKRRDPC-MRXNPFEDSA-N 419.503 3.119 0 40 HGAB CC(=O)N1CCc2cc(NC(=O)c3cccc(CN4C(=O)CSC4=O)c3)ccc21 23884221 GESNITWZINRNDU-UHFFFAOYSA-N 409.467 3.043 0 40 HGAB Cc1ccccc1C(=O)N1CCC(C(=O)NCc2ccccc2Cn2cccn2)CC1 24623626 HPCXMRUGYIREFG-UHFFFAOYSA-N 416.525 3.408 0 40 HGAB C[C@H](NC(=O)CN1CCCN(c2ncc(C(F)(F)F)cc2Cl)CC1)C1CC1 25355488 WGJQSZBWEHIIMX-LBPRGKRZSA-N 404.864 3.181 0 40 HGAB CNC(=O)[C@H]1CN(C(=O)c2ccc(COc3ccccc3)cc2)c2ccccc2O1 29767401 WZGPEEDLLREAKL-JOCHJYFZSA-N 402.450 3.419 0 40 HGAB O=C(CCNS(=O)(=O)c1cccnc1)N[C@H](c1ccccc1)C1CCCCC1 32380201 JZMVMAPUEPIVKC-OAQYLSRUSA-N 401.532 3.188 0 40 HGAB COc1ccc(/C=C/C(=O)N[C@@H](C)C(=O)Nc2ccc3c(c2)OC(F)(F)O3)cc1 32747617 RQFAZZRXRNTEIY-DJTWPOEFSA-N 404.369 3.173 0 40 HGAB C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)S(=O)(=O)c1ccc(F)cc1Cl 32760502 CFIFWUHKLGXRLN-NSHDSACASA-N 405.900 3.264 0 40 HGAB CCN1CCN(CCCNC(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)CC1 32915225 FWTTXOFXAZBCGQ-UHFFFAOYSA-N 409.534 3.088 0 40 HGAB COc1ccc(CCNC(=O)[C@H]2CC(=O)N(c3cccc(SC)c3)C2)cc1OC 32962406 IYXHLSQNTLJPLT-INIZCTEOSA-N 414.527 3.138 0 40 HGAB C[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)Nc1c(F)cccc1F 33826356 DHMAAMIJXVVQPU-VIFPVBQESA-N 419.247 3.033 0 40 HGAB O=C(Cn1nnc(-c2ccc(CN3CCCCC3)cc2)n1)N1CCCc2ccccc21 35313174 CDWHCSPGJSEFLN-UHFFFAOYSA-N 416.529 3.305 0 40 HGAB Cc1cc(C(=O)CN2CCN(C(=O)c3ccco3)CC2)c(C)n1Cc1ccccc1 35380461 NVJUWXKPBLDKGC-UHFFFAOYSA-N 405.498 3.387 0 40 HGAB Cc1cccc(N2CCN([C@H](C(=O)O)c3cn(C)c4cc(C(=O)O)ccc34)CC2)c1C 36353687 SQYJSHXOWHJEKY-QFIPXVFZSA-N 421.497 3.441 0 40 HGAB COc1ccc(NC(=O)CN2C(=O)NC3(CCC(C(C)(C)C)CC3)C2=O)c(OC)c1 36714474 YCLBIZDJRBPPPC-UHFFFAOYSA-N 417.506 3.169 0 40 HGAB COc1ncccc1CNc1nc(CN2CCOCC2)nc2sc3c(c12)CCC3 36735548 MWXLUVWOWKDSFL-UHFFFAOYSA-N 411.531 3.028 0 40 HGAB CCOC(=O)N1CCN(C(=O)c2sc(NC(=O)c3cccc(F)c3)cc2C)CC1 40143238 JODGVCNNEBSOBO-UHFFFAOYSA-N 419.478 3.362 0 40 HGAB CN(CCCc1cc(-c2ccccc2)n[nH]1)S(=O)(=O)c1ccc2c(c1)OCCO2 40155827 CLTAYZKEQJIWKD-UHFFFAOYSA-N 413.499 3.101 0 40 HGAB CCN1CCc2nc(NC(=O)Cc3csc(NC(=O)c4ccco4)n3)sc2C1 43767237 OPFQRZBNIVKHAA-UHFFFAOYSA-N 417.516 3.004 0 40 HGAB CC[C@@H](NC(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(C)ccc2O1)c1ccc(C)c(C)c1 44856576 GJYJGMDOEDYFEO-NQIIRXRSSA-N 416.543 3.406 0 40 HGAB C[C@H]1C[C@H](C)CN(Cc2ccc(CNC(=O)Cn3ncc4ccccc4c3=O)cc2)C1 48310954 OTZSDLLVQPVJTA-OALUTQOASA-N 418.541 3.191 0 40 HGAB Cc1ccc(NC(=O)Cn2c(=O)cnc3cc(C(=O)NC4CCCC4)ccc32)c(C)c1 49008032 NOFDVJQOZZLSMD-UHFFFAOYSA-N 418.497 3.324 0 40 HGAB CC(C)(CNC(=O)N1CCN(CC(F)F)CC1)c1ccc(Br)cc1 58161238 OQZZCWFNHWDFQV-UHFFFAOYSA-N 404.299 3.319 0 40 HGAB O=C1CN(c2ccc(NC(=O)[C@@H]3C[C@H]3c3cccc(Br)c3)cc2)CCN1 64389558 MNXSPOAQKPKDGR-ZWKOTPCHSA-N 414.303 3.128 0 40 HGAB Nc1ccc(F)c(NC(=O)CCN2CCN(CCOc3ccccc3Cl)CC2)c1 72309069 DMXGZZRISXBGEX-UHFFFAOYSA-N 420.916 3.087 0 40 HGAB NC(=O)c1cccc(-c2nccnc2[C@@H]2CCCN(C(=O)Cc3ccccc3)C2)c1 72358638 GYGIRWJCBFIMPX-HXUWFJFHSA-N 400.482 3.191 0 40 HGAB Cc1nc([C@H]2CCCN2c2ncccn2)nc2c1CCC(=O)N2Cc1ccccc1 72371102 CYRGIKDWCGZAJA-LJQANCHMSA-N 400.486 3.396 0 40 HGAB C[C@@H]1Cc2cc(S(=O)(=O)Nc3ccc(I)cc3)ccc2N1 78403915 UWZHVIIQYOYCGZ-SNVBAGLBSA-N 414.268 3.449 0 40 HGAB CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CN2CCCCCc3ccccc32)C1=O 78950304 LTJYDZDOMJQJHT-DEOSSOPVSA-N 420.513 3.108 0 40 HGAB COC(=O)C1(NC(=O)CNc2ccc(C(=O)NCC(C)C)c(Cl)c2)CCCCC1 95460368 BRMCAUPBXFUMHX-UHFFFAOYSA-N 423.941 3.130 0 40 HGAB O=C(OCc1nc(Cc2ccccc2)no1)[C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1 95466473 GFOWKDUGWGOHMQ-GFCCVEGCSA-N 406.364 3.251 0 40 HGAB O=C(CN1CCN(Cc2ccccc2Cl)CC1)Nc1cccc2nsnc12 96465808 OVWLJPGCDVRHES-UHFFFAOYSA-N 401.923 3.101 0 40 HGAB CCS(=O)(=O)C(Br)(Br)C(=O)c1ccc(Cl)cc1 96518486 PNJZKTOXDUUTHP-UHFFFAOYSA-N 404.507 3.401 0 40 HGAB COc1cc(CNC(=O)c2ncc(Br)cc2Br)ccc1O 97135379 HCYKFDXHOQFBBJ-UHFFFAOYSA-N 416.069 3.251 0 40 HGAB O=C(Nc1nc(-c2ccc(Br)cc2)cs1)[C@@H]1[C@@H]2CC[C@H](O2)[C@@H]1C(=O)O 102299266 XCCBLJLLIOMBMK-FQUUOJAGSA-N 423.288 3.389 0 40 HGAB CCOc1ccc(CNC(=O)[C@H](CC)N(c2ccc(C)cc2)S(C)(=O)=O)cc1 113950242 LQSRWVGVXOVHEZ-FQEVSTJZSA-N 404.532 3.255 0 40 HGAB CCc1ccc(N(CCCC(=O)NCCc2ccc(F)cc2)S(C)(=O)=O)cc1 224747065 DNASDYOETMRWOU-UHFFFAOYSA-N 406.523 3.293 0 40 HGAB CS(=O)(=O)N(c1ccc(F)cc1)[C@@H](Cc1cccc(Br)c1)C(=O)O 225159052 CREUDDYCYCLLSK-HNNXBMFYSA-N 416.268 3.050 0 40 HGAB CCOc1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)c1 225520710 XLTIMGPPCLZEJM-KRWDZBQOSA-N 402.516 3.433 0 40 HGAB Cc1nccn1-c1cccc([C@H]2CCCN2C(=O)c2cccc(OCCN(C)C)c2)n1 257278903 OEDGQJPQOMBTJQ-JOCHJYFZSA-N 419.529 3.493 0 40 HGAB Cc1ccc(C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)cc1-n1cccn1 257342117 ZNDPNNARZAOHHN-UHFFFAOYSA-N 412.496 3.446 0 40 HGAB COc1ccc(NC(=O)[C@]23C[C@H]2CN(c2c(C)cccc2C)S3(=O)=O)c(C)c1 260840390 UTIVTIYWBBLECS-KKSFZXQISA-N 400.500 3.168 0 40 HGAB Cc1cc(C)c([C@H](C)NC(=O)[C@H]2CN(S(C)(=O)=O)c3ccccc3O2)cc1C 260932732 MPJHRCJUAOFGQW-OXJNMPFZSA-N 402.516 3.016 0 40 HGAB Cc1ccc(C(=O)N2CCC3(CC2)CN(C)Cc2nnc(-c4ccc(F)cc4)n23)cc1 306136637 PYXMMQZBONEXNK-UHFFFAOYSA-N 419.504 3.470 0 40 HGAB O=C(c1cc(-c2ccc(F)cc2)c[nH]1)N1CCC(n2nnc3ccsc3c2=O)CC1 390832130 XNCAROHZCFTNEX-UHFFFAOYSA-N 423.473 3.465 0 40 HGAB COc1ccc(-c2ccc(CCC(=O)O)n2NC(=O)C(=O)Nc2cccc(C)c2)cc1 408564057 XIMWDSGDQVJASW-UHFFFAOYSA-N 421.453 3.198 0 40 HGAB COc1ccc2c(c1)CC[C@@H]([C@@]1(O)C(=O)Nc3ccc(Br)cc31)C2=O 408569728 XGBICLBBSXZZKA-KUHUBIRLSA-N 402.244 3.043 0 40 HGAB CNC(=O)C(=O)Nn1c(C(=O)Nc2ccc(C)c(Cl)c2)cc2cc(Cl)ccc21 408611310 VUZMDRFZLGOYPI-UHFFFAOYSA-N 419.268 3.325 0 40 HGAB COc1ccc(C(=O)N[C@H]2C(=O)N/[N+](=C\c3ccc(C)cc3)[C@H]2c2ccccc2)cc1 409072748 SHFZIPDYQJCLRN-AYHYUOJHSA-O 414.485 3.020 0 40 HGAB COc1cc(C(=S)N2CCOCC2)ccc1OCC(=O)Nc1ccc(C)cc1 409237072 VTLWWRVLAQYPIZ-UHFFFAOYSA-N 400.500 3.029 0 40 HGAB Cc1cccc(O[C@@H](C)C(=O)N2CCN(C(=O)c3cc4ccccc4c(O)n3)CC2)c1 522944735 WXMOWSWZQXAPHL-KRWDZBQOSA-N 419.481 3.001 0 40 HGAB CNC(=O)CN1CCC[C@H]1c1csc(NC(=O)c2ccc(C(F)(F)F)cc2)n1 585272820 RFCBEUBAIBUANZ-AWEZNQCLSA-N 412.437 3.297 0 40 HGAB Nc1ccc(CNC(=O)Nc2ccc(CCn3cc(Br)cn3)cc2)cn1 669974435 ZSWFLEMQOYLKCN-UHFFFAOYSA-N 415.295 3.187 0 40 HGAB O=C1COc2c(cc(Cl)cc2NC(=O)N[C@H]2CCN(c3ccc(F)cc3F)C2)N1 672844500 IAEJOQBKPYQDJV-LBPRGKRZSA-N 422.819 3.350 0 40 HGAB Cc1c(C(=O)N2CCC(n3nc(C4CC4)ccc3=O)CC2)cnn1-c1ccccc1 1775966094 SWWNDCRKBIXBSV-UHFFFAOYSA-N 403.486 3.092 0 40 HGAB COc1ccc(NC(=S)N(CCO)Cc2cc3cc(C)c(C)cc3[nH]c2=O)cc1 878829 DZOPEIYCWSVOMI-UHFFFAOYSA-N 411.527 3.345 0 40 HGAB CCOc1ccc([C@@H]2C(C(=O)OC)=C(C)N=C3SCCC(=O)N32)cc1OCC 2486981 LMWGTQIBJBDMGN-GOSISDBHSA-N 404.488 3.307 0 40 HGAB COCCn1c(SCC(=O)Nc2cc(C)cc(C)c2)nc2c(c1=O)S[C@H](C)C2 4108028 CDGQLMFLEAAJFL-CQSZACIVSA-N 419.572 3.274 0 40 HGAB Cn1c(=O)c2c(SCc3cccc(F)c3)nc(-c3cccs3)nc2n(C)c1=O 4139186 HTCAZSKMZZATIT-UHFFFAOYSA-N 414.487 3.187 0 40 HGAB CCn1c(COc2ccccc2)nnc1S[C@H](C)C(=O)Nc1nnc(C)s1 4736429 ZICNBVBFBSTHGJ-LLVKDONJSA-N 404.521 3.156 0 40 HGAB CCn1c(CNC(=O)[C@H]2CC(=O)N(c3ccc(OC)cc3OC)C2)cc2ccccc21 4973471 GKOSKPGCAOIMNH-KRWDZBQOSA-N 421.497 3.348 0 40 HGAB CCCCOC(=O)c1ccc(NC(=O)COC(=O)c2ccc(NC(C)=O)cc2)cc1 5367307 UCSBPQHQZCRPIA-UHFFFAOYSA-N 412.442 3.397 0 40 HGAB COc1ccc(CNC(=O)C2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)cc1 6378170 CIDQVYPOHZSPDT-DTQAZKPQSA-N 414.527 3.024 0 40 HGAB CN(C)C(=O)CSc1nc2ccc(NC(=O)c3ccccc3C(=O)O)cc2s1 6378862 FDAFVQVYQULDCM-UHFFFAOYSA-N 415.496 3.427 0 40 HGAB CC(C)c1ccc([C@@]2(C)NC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)cc1 6581127 MTJBTESBDDICSV-XMMPIXPASA-N 405.498 3.162 0 40 HGAB CC(=O)NC12C[C@H]3C[C@@H](C1)CC(C(=O)N1CCN(c4ccc(C(C)=O)cc4)CC1)(C3)C2 6976195 SIVVRQCCBTUQHN-KVEMZPMDSA-N 423.557 3.013 0 40 HGAB Cc1ccc(Cl)cc1NC(=O)[C@@H](C)n1cnc2sc(C(N)=O)c(C)c2c1=O 7995014 FJUXNVWRKDTXER-SNVBAGLBSA-N 404.879 3.027 0 40 HGAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)N1CC[C@@H]2CCCC[C@@H]2C1 8263553 NSFVCQRQGUFABE-OKZBNKHCSA-N 407.580 3.084 0 40 HGAB Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)c3cc(C)n(C(C)C)c3C)CC2)c1 8380004 UHLUPWSORNEOCI-UHFFFAOYSA-N 417.575 3.449 0 40 HGAB Cc1ccc(OCc2nc(CC(=O)Nc3cccc(-n4cnnn4)c3C)cs2)cc1 8707777 SFJCIKUYNBPHGD-UHFFFAOYSA-N 420.498 3.496 0 40 HGAB CCCN(CCC)C(=O)[C@@H]1Sc2nnc(C)n2N[C@H]1c1ccc(OCC)cc1 9239014 LERNXZKFPGBHOC-ZWKOTPCHSA-N 403.552 3.393 0 40 HGAB COc1cccc(N2C(SCc3cccc(F)c3)=N[C@@H]3CS(=O)(=O)C[C@H]32)c1 9306491 QRAJPJPSEZEJDJ-QZTJIDSGSA-N 406.504 3.109 0 40 HGAB COc1cc(C(=O)N2CCC(O)(Cn3ccc4ccncc43)CC2)c2ccccc2n1 12222553 CWJRCHQQHPWSPR-UHFFFAOYSA-N 416.481 3.260 0 40 HGAB Cn1ccnc1[C@@H](NC(=O)COc1cccc(Br)c1)c1ccccc1 12534988 FEKSRSNTSTUDAV-SFHVURJKSA-N 400.276 3.467 0 40 HGAB CC(=O)c1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)C(C)(C)C)cc1 12561068 HFHSHCNXYATLGT-UHFFFAOYSA-N 416.499 3.035 0 40 HGAB Cc1ccc(/C=C(\NC(=O)c2ccc(C)cc2)C(=O)NCCCn2ccnc2)cc1 12561387 AQPJIRFFOASZIM-JWGURIENSA-N 402.498 3.477 0 40 HGAB COC(=O)c1ccc2c(O)nc(CN3CCC[C@@H]3c3ccc(OC)cc3OC)nc2c1 12740895 GNCZMKDAMRPSDN-LJQANCHMSA-N 423.469 3.476 0 40 HGAB Cc1cc(Cl)ccc1NC(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 12741029 ZTRRBZIWXINXJL-INIZCTEOSA-N 408.907 3.358 0 40 HGAB CC(C)Oc1ccc(C(=O)NCC(=O)N2CCC(C(=O)c3ccccc3)CC2)cc1 12754931 NTUJSMSJEQWIES-UHFFFAOYSA-N 408.498 3.325 0 40 HGAB Cc1ccc(O[C@H](C)C(=O)N(Cc2nc3ccccc3c(=O)[nH]2)C[C@H]2CCCO2)cc1 12778281 BFZKUAXDMAZPDA-IEBWSBKVSA-N 421.497 3.207 0 40 HGAB COc1ccc(OCCCC(=O)N2CCC(C(=O)Nc3ccccc3O)CC2)cc1 12783922 ATQUNQQWMBXGRD-UHFFFAOYSA-N 412.486 3.437 0 40 HGAB Cc1ccc(-n2nc(C)c(NC(=O)Cn3nc(C)c4ccccc4c3=O)c2C)cc1 12928935 JHBXRWHLIMYNCV-UHFFFAOYSA-N 401.470 3.455 0 40 HGAB CC(=O)OCCCNC(=O)/C(=C/c1ccc(OC(C)C)cc1)NC(=O)c1ccccc1 13766237 JGCSPCWCBANMDM-JWGURIENSA-N 424.497 3.314 0 40 HGAB COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)c2cc(F)c(F)cc2Cl)cc1 14513233 CZEXQDQSTTVUHO-JTQLQIEISA-N 418.849 3.184 0 40 HGAB O=C(Cc1cccs1)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 15931752 KXTPWZDEWFGCAI-UHFFFAOYSA-N 419.355 3.131 0 40 HGAB Cc1ccc(C2(C(=O)N3CCC[C@@H](C4=Nc5ccccc5S(=O)(=O)N4)C3)CC2)cc1 19136822 AWOUXGVTCPOIOA-QGZVFWFLSA-N 423.538 3.287 0 40 HGAB Cc1ccc(C(=O)N2CCN(c3nnc(C(F)(F)F)s3)CC2)cc1-n1cccn1 19214753 GYVPQUGCIAEESF-UHFFFAOYSA-N 422.436 3.013 0 40 HGAB COc1ccc(CC(=O)NCCc2c[nH]c3cccc(C4(O)CCOCC4)c23)cc1 19554378 QINZEBIXORRVQD-UHFFFAOYSA-N 408.498 3.076 0 40 HGAB Cc1cc(C(=O)N2CCCC[C@@H]2c2nc(-c3ccsc3)cc(=O)[nH]2)c(=O)[nH]c1C 19566763 VYSFMBLSYKROCP-QGZVFWFLSA-N 410.499 3.171 0 40 HGAB Cc1nc2ccccn2c1CC(=O)Nc1cccc([C@@H]2CCc3nnc(C)n3C2)c1 19698185 QQERENKWFYTIPH-GOSISDBHSA-N 400.486 3.454 0 40 HGAB O=C1c2oc3ccc(F)cc3c(=O)c2[C@@H](c2ccccc2)N1CCCN1CCOCC1 20308634 YJDISXNDDMNZAR-OAQYLSRUSA-N 422.456 3.200 0 40 HGAB Cc1[nH]c2ccccc2c1C(=O)C(=O)NCc1cc(-c2ccc3c(c2)OCO3)on1 22768832 LLEIZUXKMWXSDY-UHFFFAOYSA-N 403.394 3.359 0 40 HGAB CCN(CC)S(=O)(=O)c1cc(NC(=O)c2[nH]c(C)c(C(C)=O)c2C)ccc1C 23076639 NLXXFXDVYOEUTF-UHFFFAOYSA-N 405.520 3.425 0 40 HGAB O=C(c1ccc(N2CCCC2=O)cc1)N1CCN(Cc2nc3ccccc3s2)CC1 23882291 CIDLEVTWGJKQMH-UHFFFAOYSA-N 420.538 3.381 0 40 HGAB CCOC(=O)Cc1csc(NC(=O)c2cnn(-c3ccc(F)cc3)c2CC)n1 24684951 QZRPFRFPRHCWTP-UHFFFAOYSA-N 402.451 3.388 0 40 HGAB CN(C)[C@H](CNC(=O)c1ccc2c(=O)n3c(nc2c1)CCC3)c1ccccc1Cl 27104108 IVKKGAONKCZXSI-LJQANCHMSA-N 410.905 3.029 0 40 HGAB CN(C)S(=O)(=O)c1ccc(CCC(=O)Nc2cccc(Br)c2)cc1 28208345 YZKCBSQVIWTMAZ-UHFFFAOYSA-N 411.321 3.271 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)N[C@@H](C)c1ccc(C)cc1 30864910 JKEWEIKSNVWNMC-INIZCTEOSA-N 402.516 3.279 0 40 HGAB CC(C)(CCN1CCN(C(=O)[C@H]2CS[C@H](c3cccnc3)N2)CC1)c1ccccc1 31418076 HEXKEOJEDCYAPX-FGZHOGPDSA-N 424.614 3.297 0 40 HGAB COc1ccc(CN2CCN(C(=O)c3cc(Cl)ccc3F)CC2)c(OC)c1OC 32772580 BEMMQBZPJVZFPK-UHFFFAOYSA-N 422.884 3.463 0 40 HGAB COc1ccc([C@H](c2nnnn2C(C)C)N2CCN(c3ccccc3)CC2)cc1OC 35290583 KGFJVONTQFCUCL-JOCHJYFZSA-N 422.533 3.183 0 40 HGAB CCOC(=O)c1c(NC(=O)[C@@H](C)N2C[C@@H](C)O[C@H](C)C2)sc2c1CC[C@@H](C)C2 36329922 CJWNNNIRFKIZOX-KBUPBQIOSA-N 408.564 3.486 0 40 HGAB O=C(COc1cccc(NC(=O)c2ccco2)c1)Nc1ccc(-n2cccn2)nc1 36392679 ZQTQAISKFIQWTL-UHFFFAOYSA-N 403.398 3.130 0 40 HGAB COc1ccc(-c2cc(C(=O)N[C@H](C)c3ccn(C)n3)c3c(C)nn(C)c3n2)cc1 36613377 NGXAPWHHXLRYRR-CYBMUJFWSA-N 404.474 3.177 0 40 HGAB Cn1nc(NC(=O)c2cc3ccccc3oc2=O)c2c1NC(=O)C[C@H]2c1cccs1 36705571 ZIROQKJOKGHBFP-LBPRGKRZSA-N 420.450 3.314 0 40 HGAB Cc1c(NC(=O)C2CCN(Cc3ccc(F)cc3)CC2)c(=O)n(-c2ccccc2)n1C 39768073 YZQHNLQOFZHBGQ-UHFFFAOYSA-N 422.504 3.474 0 40 HGAB CCn1c(=O)[nH]c(=O)c2cc(C(=O)Nc3nc(-c4ccc(C)c(C)c4)cs3)cnc21 40050981 WSMURSAYHUSUCD-UHFFFAOYSA-N 421.482 3.097 0 40 HGAB CCOC(=O)c1cnn(-c2cccc(NC(=O)c3ccc(NC(N)=O)cc3)c2)c1C 40089017 WXKVXLAOFKQMOO-UHFFFAOYSA-N 407.430 3.100 0 40 HGAB CN(CCOc1ccccc1F)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 40096820 YVJWKPRVAMLRRB-UHFFFAOYSA-N 421.494 3.153 0 40 HGAB CN(Cc1ccccc1)C(=O)CN1C(=O)N[C@](C)(c2ccccc2C(F)(F)F)C1=O 40116697 CCBMCXABCJSBSS-HXUWFJFHSA-N 419.403 3.131 0 40 HGAB O=C(NCCc1nnc2ccccn12)c1nn(-c2ccccc2)c2c1CCCCC2 40141504 JUWNXIXUFKXOBU-UHFFFAOYSA-N 400.486 3.156 0 40 HGAB O=C(NCCc1ccc(Br)s1)NC[C@@H]1CCN(CC(F)(F)F)C1 45393826 PUZUJXRSNTZTEG-JTQLQIEISA-N 414.291 3.237 0 40 HGAB CC(C)CN1CCC(C(=O)NC[C@@H](c2ccccc2Cl)N2CCOCC2)CC1 48325498 XAZAEQRVINRMLJ-NRFANRHFSA-N 407.986 3.198 0 40 HGAB Cc1csc2nc(CN3CCC(C(=O)c4cc(F)ccc4F)CC3)cc(=O)n12 48326355 NDNRTVVULVBINV-UHFFFAOYSA-N 403.454 3.438 0 40 HGAB O=C(CCC(=O)N1CCN(c2nsc3ccccc23)CC1)NCc1ccccc1 49545657 RJGSVHBDPNXCDH-UHFFFAOYSA-N 408.527 3.042 0 40 HGAB COC(=O)c1cc(C(=O)OC)cc(-c2ccc([C@H]3CC(O)=Nc4c3cnn4C)o2)c1 49546564 HIPZKIULLPOSOZ-AWEZNQCLSA-N 409.398 3.377 0 40 HGAB Cc1ccc(NC(=O)CSc2ncnc3nc(N4CCOCC4)sc23)cc1F 57506970 IYCFUSBADFMDIR-UHFFFAOYSA-N 419.507 3.101 0 40 HGAB CC[C@H](c1nnnn1C1CCCC1)N(CCCO)Cc1cc2cc(C)ccc2[nH]c1=O 57645776 HCQGTQQDZUABHC-OAQYLSRUSA-N 424.549 3.274 0 40 HGAB CCN(C(C)=O)c1nc2ccccc2n(CC(=O)Nc2c(C)cc(C)cc2C)c1=O 64987638 MTEKZSOGTBLNAL-UHFFFAOYSA-N 406.486 3.333 0 40 HGAB Cc1cccc(Cl)c1NC(=O)Cn1c(=O)n(Cc2ccco2)c(=O)c2ccccc21 67197215 YLDVGTWLTPDRCA-UHFFFAOYSA-N 423.856 3.405 0 40 HGAB O=C(Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2CCCc2ccccc2)cc1)C1CCC1 67896615 XCKBZEAYWOBQHL-ISKFKSNPSA-N 422.525 3.319 0 40 HGAB biogenic,in-vitro O=C(Nc1nc2c(s1)CCC2)c1ccc(Cl)c(N2CCCCS2(=O)=O)c1 71283775 UMXLHSULFQNCGJ-UHFFFAOYSA-N 411.936 3.468 0 40 HGAB Cc1cc(N2C[C@H](C(=O)N3CCc4cnccc43)CC2=O)ccc1Br 72288285 ACITUUHVASTCBX-CQSZACIVSA-N 400.276 3.095 0 40 HGAB CC(C)(C)OC(=O)N1CCN(CC(=O)Nc2ccccc2SC(F)F)C(=O)C1 72294609 ZIDVKZBSOQILSZ-UHFFFAOYSA-N 415.462 3.019 0 40 HGAB CC(=O)CCCC(=O)N1CCC[C@H](c2cc(C(F)(F)F)c3c(=O)[nH]c(C)nc3n2)C1 72383476 GUPLKLQIZSMHGT-ZDUSSCGKSA-N 424.423 3.111 0 40 HGAB CN(Cc1ccccc1Br)C(=O)CCN[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 95444376 VCYKWBJRYYCPME-LZQZEXGQSA-N 407.352 3.345 0 40 HGAB CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H](CO)N(C(=O)OCc1ccccc1)C2 95829412 CLKBRXCPWVLHTE-GOSISDBHSA-N 404.507 3.407 0 40 HGAB in-vitro Cc1cc(O)cc(=O)n1CCC(=O)OCC(=O)N(C1CCCCC1)C1CCCCC1 95964515 LROFZBZWNABLJM-UHFFFAOYSA-N 418.534 3.290 0 40 HGAB COc1cccc(NC(=O)c2nc3c(s2)CCN(C(=O)c2cccnc2)CC3)c1 96146892 OJBJQMHQZLYRIW-UHFFFAOYSA-N 408.483 3.040 0 40 HGAB Cc1ccc(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@H](C(=O)c4ccc(Cl)cc4)[C@@H]3C2=O)cc1 101242152 DNFVZNPHOQSYCX-NMLBUPMWSA-N 408.885 3.484 0 40 HGAB COc1cccc(NC(=O)c2cnn3c2NC(C(=O)O)=C[C@H]3c2ccc(C)cc2)c1 102810634 UUAPDGJQGRSTAA-IBGZPJMESA-N 404.426 3.436 0 40 HGAB O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)NC1(c2cccc(Br)c2)CCC1 103702484 QRSSPPKTXYCECL-HOTGVXAUSA-N 419.319 3.120 0 40 HGAB CCOc1ccccc1CNC(=O)CCCN(c1ccccc1F)S(C)(=O)=O 113965732 NWCBBMOWEJPPNS-UHFFFAOYSA-N 408.495 3.087 0 40 HGAB CC[C@@H](C(=O)NCCOc1ccc(C)cc1)N(c1ccc(C)c(C)c1)S(C)(=O)=O 219121060 OUQHCHDQYHHMIR-NRFANRHFSA-N 418.559 3.352 0 40 HGAB Cc1cccc(CCCNC(=O)CN(c2cccc(OC(C)C)c2)S(C)(=O)=O)c1 220110551 GVHDQTRPKSHVIX-UHFFFAOYSA-N 418.559 3.297 0 40 HGAB C[C@@H](C(=O)Nc1ccc(Br)cc1)N(c1ccccc1F)S(C)(=O)=O 220294717 ORWHZZUBQKORSX-NSHDSACASA-N 415.284 3.381 0 40 HGAB COc1ccc(CN(C)C(=O)c2ccc(C)c(N3CCCCS3(=O)=O)c2)cc1 222564914 OIRIBTLODCGEPW-UHFFFAOYSA-N 402.516 3.206 0 40 HGAB CC[C@@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CCc1ccc2c(c1)OCO2 223236044 NWRQHKOPSWFDTP-SFHVURJKSA-N 400.450 3.040 0 40 HGAB CC[C@@H](NC(=O)CN(Cc1ccccc1F)S(C)(=O)=O)c1ccc(C)cc1C 223726926 KCPDOCHJCFKRTB-HXUWFJFHSA-N 406.523 3.472 0 40 HGAB Cc1cc(C)cc(OCCNC(=O)[C@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)c1 224075556 MPOLJQBTZCROJK-INIZCTEOSA-N 424.950 3.307 0 40 HGAB Cc1ccc(OCCNC(=O)c2cc(NS(C)(=O)=O)ccc2Cl)cc1Cl 224162856 KSUVZJHVTHWNLN-UHFFFAOYSA-N 417.314 3.482 0 40 HGAB CNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CSCc1ccc(OC)cc1 225412957 KVFKXTGAPYNLAQ-HNNXBMFYSA-N 404.507 3.231 0 40 HGAB COC[C@H]1CCCN1Cc1nc(C2(O)CCN(C(=O)CC(C)(C)C)CC2)cs1 225466770 BGFFBLKHEHGLAB-MRXNPFEDSA-N 409.596 3.000 0 40 HGAB biogenic,in-vitro CCc1ccc(N(CN2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@@H]3C2=O)[C@@H]2C[C@H]42)C(=O)C(F)(F)F)cc1 226401579 RFOFHNPTHLVBIS-ZXLDYLNASA-N 418.415 3.155 0 40 HGAB CCOC(=O)[C@]1(N)[C@H](c2cccc(Cl)c2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 242473310 FFXNCYLNVYVEDP-NUJGCVRESA-N 414.310 3.194 0 40 HGAB C[C@]1(O)CN(CC(=O)Nc2ccc(Br)cc2)CC[C@@H]1Oc1ccccc1 257202837 ANQLDVJVVOFZMA-ICSRJNTNSA-N 419.319 3.292 0 40 HGAB Cc1nonc1COc1ccccc1C(=O)N1CCC[C@@H](c2ccnc(N(C)C)c2)C1 257241525 HYILFTSSOJZRRA-GOSISDBHSA-N 421.501 3.438 0 40 HGAB CCNC(=O)C1(Cc2cccc(-c3cccnc3)c2)CCN(C(=O)[C@@H]2CCCO2)CC1 257258418 KTTSSZSVZMJJEY-QFIPXVFZSA-N 421.541 3.215 0 40 HGAB COc1ccc(-c2ccc3c([C@H]4CN(Cc5cccnc5)CCO4)nnn3c2)cc1 306130776 JPBXXMKKQKJBFM-JOCHJYFZSA-N 401.470 3.373 0 40 HGAB CC(C)NC(=O)COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1Cl 408562529 QRTSFDANOUNMQP-UHFFFAOYSA-N 422.934 3.385 0 40 HGAB COc1cc(C(=S)N2CCOCC2)ccc1OCC(=O)Nc1cccc(C)c1 409229641 SEFMMDGJWWOGBY-UHFFFAOYSA-N 400.500 3.029 0 40 HGAB Cc1nc([C@@H]2CCN(C(=O)[C@H]3C[C@H]3C)C2)nc(C)c1CC(=O)NCc1ccc(F)cc1 409412794 GBHNUORYHYUXSK-DJKXOVBDSA-N 424.520 3.063 0 40 HGAB O=C(O)c1ccc(S(=O)(=O)N[C@H]2CCc3ccc(F)cc32)c(OC(F)(F)F)c1 578823501 CMBORDDNQDFJMI-ZDUSSCGKSA-N 419.352 3.388 0 40 HGAB Cc1cccc(Nc2cc(CC3CCN(C(=O)/C=C/c4cnn(C)c4)CC3)ncn2)n1 585291035 IBCXRHVVJMIVNC-VOTSOKGWSA-N 417.517 3.152 0 40 HGAB Cc1ncoc1C(=O)N1CCC[C@@]2(CCCCc3ccccc3OCC(=O)NC2)C1 1848354452 NOGSDGGWUIKBQB-HSZRJFAPSA-N 411.502 3.127 0 40 HGAB CSc1ccccc1NC(=O)C(=O)NCCc1ccc(-c2cnn(C)c2)s1 1889226172 WFTFSCXPZRLPRP-UHFFFAOYSA-N 400.529 3.168 0 40 HGAB CC(C)[C@H](NC(=O)[C@@H](C)Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1)C(=O)O 2097410 DFGVBCRALAMJNR-SZNDQCEHSA-N 409.438 3.453 0 40 HGAB biogenic Cc1ccc(C)c(C(=O)COC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c1 3517453 YLIMZHSWSRBIRZ-UHFFFAOYSA-N 401.484 3.128 0 40 HGAB Cc1cc(Cl)ccc1OCC(=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 4183496 YGKFEMUWUIIULE-HNNXBMFYSA-N 413.948 3.305 0 40 HGAB CCOc1cccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CCN(C)C)c1 4337872 IJHXCWYYZGJBJH-FQEVSTJZSA-N 410.445 3.438 0 40 HGAB COc1ccc(/C=C(/NC(=O)c2ccc(OC)c(OC)c2)C(=O)N2CCCC2)cc1 4893778 NKFKHZXWXXQBSM-XMHGGMMESA-N 410.470 3.106 0 40 HGAB CC(C)(C)c1ccc(C(=O)NCc2nnc(SCC(=O)N3CCCC3)o2)cc1 5107354 MAVNLVXQEJAMOU-UHFFFAOYSA-N 402.520 3.012 0 40 HGAB Cc1ccc(C(C)(C)C)cc1S(=O)(=O)N1CCN(C(=O)c2ccccc2)CC1 5120398 QLIVJFPTNKWNEW-UHFFFAOYSA-N 400.544 3.439 0 40 HGAB COc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(C)CC3)cc2)cc1Cl 6287986 MBFBZEAYHSQVCO-UHFFFAOYSA-N 418.950 3.227 0 40 HGAB CCN1CCN(c2ccc(NC(=S)NC(=O)c3cccc(C)c3OC)cc2)CC1 6517679 ZGLBCOJVGAWSPM-UHFFFAOYSA-N 412.559 3.272 0 40 HGAB Cc1ccc(CN(C(=O)COc2ccc(Cl)c(C)c2)[C@@H]2CCS(=O)(=O)C2)o1 6810342 YIBJFNCAYYJZFB-OAHLLOKOSA-N 411.907 3.145 0 40 HGAB O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1ccc2c(c1)OCO2 7598063 DMALMXDPLOJROV-UHFFFAOYSA-N 416.499 3.161 0 40 HGAB CS(=O)(=O)N1CCCc2cc(C(=O)NCC34CC5CC(CC(C5)C3)C4)ccc21 7704978 JZICKUQLOBJPDF-UHFFFAOYSA-N 402.560 3.345 0 40 HGAB CS(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)cc1 9712772 ILFSXTUWCVLRDG-UHFFFAOYSA-N 416.480 3.237 0 40 HGAB CC(C)(C)c1ccc(-n2c(=O)[nH]c3c(C(N)=O)nc(-c4ccc(F)c(F)c4)nc32)cc1 9738971 WIWBJAJPLRKBCC-UHFFFAOYSA-N 423.423 3.450 0 40 HGAB Cc1cc(C)cc(NC(=O)Cn2c(-n3nc(C)cc3C)nc3c(c2=O)CCCC3)c1 9828792 LRPVUZCVNBJANM-UHFFFAOYSA-N 405.502 3.180 0 40 HGAB CSc1ccccc1C(=O)Nn1cnc2c(cnn2-c2ccc(C)c(C)c2)c1=O 10252181 XVCOPCKXEMHOKN-UHFFFAOYSA-N 405.483 3.305 0 40 HGAB COc1cccc(N(CC(=O)N2CCc3ccccc32)S(=O)(=O)c2ccccc2)c1 10449041 DSHNQIBDPIPTSV-UHFFFAOYSA-N 422.506 3.480 0 40 HGAB Cc1ccc(-c2nonc2NC(=O)c2nn(-c3ccc(Cl)cc3)ccc2=O)cc1 11914793 JYXKWGLUSNHDHQ-UHFFFAOYSA-N 407.817 3.497 0 40 HGAB O=C(Nc1nonc1-c1ccc(Br)cc1)[C@@H]1COc2ccccc2O1 11917304 FJNVWZLUGAYOOS-AWEZNQCLSA-N 402.204 3.278 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)NCCOc1ccc(Cl)cc1 12756872 PVUOXICGLBGSDV-UHFFFAOYSA-N 422.934 3.242 0 40 HGAB COc1cc(C(=O)Nc2nc(CN3C[C@H](C)O[C@@H](C)C3)cs2)cc(OC)c1OC 12781049 GXFDABWDZNBCCN-STQMWFEESA-N 421.519 3.030 0 40 HGAB O=C(NCCC(=O)N1CCC[C@H](C(F)(F)F)C1)c1ccc(Br)cc1 12817829 OAJGWXCWRYBQEI-LBPRGKRZSA-N 407.230 3.370 0 40 HGAB C[C@@H](NC(=O)Cc1cccc2ccccc12)C(=O)N1CCN(Cc2ccccc2)CC1 12911157 VYPXAWNMLXUKFI-HXUWFJFHSA-N 415.537 3.231 0 40 HGAB CC(C)(C)c1ccc(C(=O)N2C[C@@H](C(=O)N3CCOCC3)Oc3ccccc32)cc1 12912443 RESWTFMGJPMLDN-NRFANRHFSA-N 408.498 3.251 0 40 HGAB CC(=O)N1CCc2cc(NC(=O)CN(Cc3cccs3)C[C@@H]3CCCO3)ccc21 12920147 LXHXCVMZBCFGCB-IBGZPJMESA-N 413.543 3.277 0 40 HGAB Cc1cccc(NC(=O)CN(C)C(=O)CCn2c(=O)oc3cc(Cl)ccc32)c1C 12928358 YDMYYJHNDVUCFN-UHFFFAOYSA-N 415.877 3.352 0 40 HGAB COc1cc(C)c(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(C)s2)cc1OC 12950913 DPNHKDFLLALSEL-OAHLLOKOSA-N 424.544 3.174 0 40 HGAB CN(C)C(=O)[C@@H](Sc1nc(CN2CCOCC2)nc2ccccc12)c1ccccc1 12971314 WZFWLIKSUUZIPW-NRFANRHFSA-N 422.554 3.384 0 40 HGAB O=S(=O)(c1ccc(F)c(F)c1)N1CCN(Cc2ncc(-c3ccccc3)o2)CC1 12997739 CVEMCZUBIYNIGJ-UHFFFAOYSA-N 419.453 3.126 0 40 HGAB COc1ccc(C)cc1NC(=O)c1cccc(S(=O)(=O)NCc2ccco2)c1 13068676 LTFDASGJDHQIEY-UHFFFAOYSA-N 400.456 3.327 0 40 HGAB O=C(CO)N1CCC[C@@H](c2cc3nc(-c4cccs4)cc(C(F)(F)F)n3n2)C1 13266476 IUWFZUPJQHUHHC-LLVKDONJSA-N 410.421 3.175 0 40 HGAB Cc1cccc(NC(=O)CSC2=N[C@H](c3c[nH]c4ccccc34)NC(N)=N2)c1C 13579091 LNAYSNNCRYWYLD-LJQANCHMSA-N 406.515 3.429 0 40 HGAB CC(C)C(=O)N1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)CC1 14181724 GPWNGVHMTRXUQH-UHFFFAOYSA-N 402.498 3.480 0 40 HGAB COC(=O)C[C@@H](NC(=O)c1nc(Cl)ccc1Cl)c1ccc(OC)c(OC)c1 14380492 ZWYRSTCSHJHIKN-GFCCVEGCSA-N 413.257 3.440 0 40 HGAB Cc1ccc(-c2csc(NC(=O)c3ccc(CCNS(C)(=O)=O)cc3)n2)o1 15589918 UOGVVXSTPIYDGS-UHFFFAOYSA-N 405.501 3.056 0 40 HGAB CCOc1ccccc1NC(=O)c1ccc(N2C(=O)[C@H](C)CS2(=O)=O)cc1Cl 15858430 JVLAFAQITSKPNC-GFCCVEGCSA-N 422.890 3.304 0 40 HGAB COC(=O)C[C@@H](NC(=O)C[C@H](NC(C)=O)c1ccc(Cl)cc1)c1ccccc1 16139495 ZFFAAMIAKSJHPY-RBUKOAKNSA-N 402.878 3.328 0 40 HGAB c1cnc2nc(CSc3nnc(SCc4cn5cccnc5n4)s3)cn2c1 16546099 WHTIFEBMUWCDIQ-UHFFFAOYSA-N 412.529 3.208 0 40 HGAB Cc1cc2occ(CC(=O)N3CC[C@@H](c4nc(-c5ncccn5)no4)C3)c2cc1C 19125392 UJTRAFBODAIOBR-OAHLLOKOSA-N 403.442 3.448 0 40 HGAB Cc1ccc([C@H]2CCCN2C(=O)CC[C@@]2(c3ccccc3)NC(=O)NC2=O)cc1C 19213723 ZZQDSOAPDNHNKI-YKSBVNFPSA-N 405.498 3.482 0 40 HGAB COc1cccc([C@@H]2CN(C(=O)CN3CCCC[C@H]3C)C[C@H]2c2csnn2)c1 19496348 YIKNDKBGGIAACV-AYOQOUSVSA-N 400.548 3.131 0 40 HGAB CCCC(=O)N1CCC[C@H]([C@@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)OCC)c3N2)C1 19501261 FPNRLRCMGCPJAS-AEGPPILISA-N 416.444 3.386 0 40 HGAB Cc1noc2nc(C3CCN(C(=O)[C@H](C)Cn4cncn4)CC3)cc(C(F)(F)F)c12 19564442 LWSHOMGFKVCRDT-LLVKDONJSA-N 422.411 3.184 0 40 HGAB CC[C@H](c1ccc(F)cc1)n1cc(C(=O)N2CCCN(Cc3ccccn3)CC2)nn1 19660085 PKKCKNIZGIPIFV-JOCHJYFZSA-N 422.508 3.160 0 40 HGAB O=C(NCCc1ccc2c(c1)OCCO2)[C@@H]1CCN(c2ncccc2C(F)(F)F)C1 19748013 AGMPJEBEWHULKN-OAHLLOKOSA-N 421.419 3.057 0 40 HGAB O=C(COc1ccc(C(=S)N2CCN(Cc3ccccc3)CC2)cc1)N1CCCC1 19831089 YGMIHUNTWRRKAH-UHFFFAOYSA-N 423.582 3.181 0 40 HGAB CCOc1ccccc1NC(=O)CN(CC)S(=O)(=O)c1ccc(OC)c(C)c1 19929751 YCYGDUIFAKELMJ-UHFFFAOYSA-N 406.504 3.052 0 40 HGAB O=C(Nc1cccc(F)c1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1 20007800 VXEZTQSIPRGYMW-FQEVSTJZSA-N 416.449 3.493 0 40 HGAB CC(C)NS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(F)c(F)c2F)cc1 20023645 NPIKHURAJRONNC-UHFFFAOYSA-N 400.422 3.362 0 40 HGAB CC1=C2C[C@H]3[C@@H](C[C@@]2(C)CCC1)OC(=O)[C@H]3CN1CCN(C(=O)c2ccco2)CC1 20112566 UFAAOAUAAMIQQW-YVXPOVKHSA-N 412.530 3.496 0 40 HGAB biogenic O=C(C[C@H]1C(=O)Nc2nc(-c3ccccc3)nn21)Nc1cccc(C(F)(F)F)c1 20733459 MIKDFHRWZNCDIB-AWEZNQCLSA-N 401.348 3.486 0 40 HGAB COC(=O)c1cccc(NC(=O)N2CCc3nc[nH]c3[C@H]2c2ccc(OC)cc2)c1 20762229 BEVBPEXBIOTIFH-HXUWFJFHSA-N 406.442 3.385 0 40 HGAB biogenic O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(F)c(F)c1F 20768475 XZEHJZBDPXYUTK-UHFFFAOYSA-N 412.433 3.209 0 40 HGAB O=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)c1ccc(CN2C(=O)CNC2=O)cc1 21047401 LYKZZIZOWFAZPI-UHFFFAOYSA-N 421.453 3.422 0 40 HGAB Cc1cccc(-n2c(S[C@H](C)C(=O)NC[C@@H]3CCCO3)nc3ccccc3c2=O)c1 21451600 LUHGZGFTGZLWTK-AEFFLSMTSA-N 423.538 3.470 0 40 HGAB CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](C)CC)cc1C 22247304 KALBZPCNEYABHX-FXAWDEMLSA-N 418.559 3.198 0 40 HGAB CCS(=O)(=O)N(C)c1cc(OC)c(OC)cc1C(=O)Nc1ccccc1Cl 22252661 SYXFEDSCJMFUKB-UHFFFAOYSA-N 412.895 3.395 0 40 HGAB CC(C)(C)NS(=O)(=O)c1ccc(C(=O)Nc2ccc(N3CCCCC3)nc2)cc1 25064667 JWTJAMMQZBAFEX-UHFFFAOYSA-N 416.547 3.401 0 40 HGAB O=S(=O)(c1cccc(Cl)c1)N(Cc1ccccc1)Cc1nnnn1C1CC1 29369150 ZTCGLWYHQBTCTE-UHFFFAOYSA-N 403.895 3.053 0 40 HGAB CCn1c(=O)[nH]c(=O)c2cc(C(=O)N(C)[C@@H](C)c3ccc(Cl)cc3Cl)cnc21 30316446 WAGBHKGOOQLJLN-JTQLQIEISA-N 421.284 3.245 0 40 HGAB Cc1cccc(N2CCN(CC[C@@H](C)NS(=O)(=O)c3cccc(F)c3)CC2)c1 30439707 BOQOCBUPGJCBSW-GOSISDBHSA-N 405.539 3.013 0 40 HGAB Cc1cc(C(=O)O[C@@H](C)C(=O)c2ccc(NS(C)(=O)=O)cc2)c(C)n1C(C)C 32672061 MUZDGJHJNHQBQY-HNNXBMFYSA-N 406.504 3.486 0 40 HGAB O=C(NCc1ccc(F)cc1)c1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1 32674221 XYWAMKMASNFTJK-UHFFFAOYSA-N 409.442 3.317 0 40 HGAB CS(=O)(=O)Nc1ccc(-c2noc(Cc3ccc(Br)cc3)n2)cc1 33276302 XEZKWYCLNOMGKR-UHFFFAOYSA-N 408.277 3.461 0 40 HGAB COc1ccc(CCC(=O)N2CCN(CC(=O)Nc3cccc(C)c3C)CC2)cc1 34870374 LNURJYVFXBOWEL-UHFFFAOYSA-N 409.530 3.028 0 40 HGAB CCOc1ccc([C@H](c2sc3nc(C)nn3c2O)N2C[C@@H](C)O[C@H](C)C2)cc1 36066093 LVCBFHAITIZIKM-PBFPGSCMSA-N 402.520 3.402 0 40 HGAB COc1ccccc1-c1c2c(=O)n(Cc3ccccc3S)ccc2nc2ncnn12 40398193 NVNAMSFAGDGTFM-UHFFFAOYSA-N 415.478 3.452 0 40 HGAB O=S(=O)(NC[C@@H](c1ccco1)N1CCCC1)c1cccc(OC(F)(F)F)c1 43580909 ZDDRGMVEGHQVHO-HNNXBMFYSA-N 404.410 3.294 0 40 HGAB CCOC(=O)[C@H]1CCCN(C(=O)Nc2ccc(-n3cncn3)cc2C(F)(F)F)C1 47673321 AFUPABAJDDQSIB-LBPRGKRZSA-N 411.384 3.093 0 40 HGAB CCOC(=O)c1ccc(NC(=O)Nc2cc(C(=O)OC)ccc2C(=O)OC)cc1 51354286 YRPXGGKORQSJOX-UHFFFAOYSA-N 400.387 3.081 0 40 HGAB COc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCc3ccccc3)cc2)cc1 57121064 VNDORSDNOHNRFX-UHFFFAOYSA-N 410.495 3.469 0 40 HGAB COC(=O)C1=C(CN2CC=C(c3ccccc3)CC2)NC(=O)N[C@@H]1c1cccc(F)c1 57415554 VEFNIYUYBAELES-JOCHJYFZSA-N 421.472 3.396 0 40 HGAB Cc1cccc(Cl)c1NC(=O)Cn1c(=O)n(CC(C)C)c(=O)c2sccc21 57486099 NPSKOVZCSKSMQE-UHFFFAOYSA-N 405.907 3.481 0 40 HGAB Cc1c(C(=O)Nc2cc(C(C)(C)C)nn2[C@H]2CCS(=O)(=O)C2)cnn1C(C)(C)C 58088286 JRYIFVOXPWIEDI-AWEZNQCLSA-N 421.567 3.052 0 40 HGAB CC[C@@H](NC(=O)c1ccc(Cl)c(S(C)(=O)=O)c1)c1ccc2c(c1)OCCO2 59824313 BAJZKHRPXKIPFN-OAHLLOKOSA-N 409.891 3.396 0 40 HGAB CCCN1CCc2nc(SCC(=O)N(C)c3cccc(Cl)c3)nc(O)c2C1 67291897 KEIGOVJYTQSGEA-UHFFFAOYSA-N 406.939 3.359 0 40 HGAB O=C(Nc1nc2c(s1)CN(C(=O)c1cc(=O)c3ccccc3o1)CC2)c1ccco1 70638510 XCRKGTLUTYNBJA-UHFFFAOYSA-N 421.434 3.293 0 40 HGAB COc1ccc([C@H]2[C@H](C(=O)NCCn3cccc3)c3ccccc3C(=O)N2C)cc1 70666592 IAAGRLKLWQAMRB-YADHBBJMSA-N 403.482 3.224 0 40 HGAB biogenic COc1ccc(CCn2cc(C(=O)Nc3cnn(C)c3)c3ccccc3c2=O)cc1 71288333 KNGGCMDHHVGEBF-UHFFFAOYSA-N 402.454 3.239 0 40 HGAB C[C@H](Oc1ccccc1F)C(=O)Nc1nnc([S@](=O)Cc2ccccc2)s1 72238656 LKBOWFJTDPDXJO-JWNZJDHWSA-N 405.476 3.391 0 40 HGAB O=C(CSCC(=O)Nc1cc2c(cc1Cl)OCCCO2)Nc1ccccn1 72313682 SNAPXXFEBQXXBW-UHFFFAOYSA-N 407.879 3.207 0 40 HGAB Cc1c(NC(=O)CNC(=O)c2c(F)cccc2Cl)cccc1N1CCOC1=O 78947548 MJRSMTPJXAUFHA-UHFFFAOYSA-N 405.813 3.113 0 40 HGAB O=c1occ(CN2CCCCC2)c(O)c1CN1CCN(c2cccc(Cl)c2)CC1 79478778 ADKRNMPSHZOSIJ-UHFFFAOYSA-N 417.937 3.307 0 40 HGAB O=C(CCC(=O)N1CCN(c2cccc(Cl)c2)CC1)NC[C@H]1C[C@@H]2C=C[C@H]1C2 95473213 VJRHGAGTROIVNG-FGTMMUONSA-N 401.938 3.097 0 40 HGAB CCC(C)(C)n1nnnc1[C@H](c1ccc(C)cc1)N1CCN(Cc2cccnc2)CC1 96901688 BMYPHOZHYPYXHF-QFIPXVFZSA-N 419.577 3.429 0 40 HGAB COc1ccc2[nH]c3c(c2c1)CCN([C@H]1CC(=O)N(c2ccc(C(C)=O)cc2)C1=O)C3 100792942 ZMJNRGSORAVWRD-QFIPXVFZSA-N 417.465 3.069 0 40 HGAB biogenic Cc1cc(NS(=O)(=O)C[C@@]23CC[C@H](CC2=O)C3(C)C)ccc1N1CCCC1=O 101324462 DWOVYYNWPMDRHE-VFNWGFHPSA-N 404.532 3.259 0 40 HGAB Cc1cc(NC(=O)[C@H](C)N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc(C)c1Br 102088173 OMNLLCIIGKQJNP-IICXDKKESA-N 417.303 3.200 0 40 HGAB NC(=O)COc1ccc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1 106686131 ILPUMSVWZSRRSB-SXGWCWSVSA-N 402.859 3.441 0 40 HGAB CCOC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(NC(C)=O)cc1 113870488 HCVIMQXTSPPASH-UHFFFAOYSA-N 410.879 3.057 0 40 HGAB C[C@]12CC[C@H](O)C[C@@]1(O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](c3ccc(=O)oc3)CC[C@@]12O 118916757 PBSOJKPTQWWJJD-FBWBHSQBSA-N 402.531 3.357 0 40 HGAB COc1cccc(NC(=O)CN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)c1 164424971 WCUFHAQMLVDTDB-UHFFFAOYSA-N 403.287 3.407 0 40 HGAB CC(C)Oc1ccc(CNC(=O)CCCN(C)S(=O)(=O)c2ccccc2)cc1 219724476 OBOSMNBARLNKRG-UHFFFAOYSA-N 404.532 3.191 0 40 HGAB C[C@H](C(=O)NCc1cccnc1)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1 222917632 ZTXOFHZDVGYILO-GOSISDBHSA-N 405.473 3.497 0 40 HGAB CN(C)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(Br)s1 223253810 FWIDIAQASONVME-HUUCEWRRSA-N 411.394 3.440 0 40 HGAB CCCc1ccc(OCCNC(=O)CN(c2cccc(C)c2C)S(C)(=O)=O)cc1 223702758 ABTAEJBBBRNGHH-UHFFFAOYSA-N 418.559 3.217 0 40 HGAB CC[C@H](C(=O)NCCOc1cccc(C)c1)N(c1ccc(C)cc1)S(C)(=O)=O 224303744 YIFHIDVIMAUSSY-HXUWFJFHSA-N 404.532 3.043 0 40 HGAB Cc1ccc(C(=O)NCCOc2ccccc2Cl)cc1N1CCCCS1(=O)=O 224402122 MYYBRGCYCRUAHK-UHFFFAOYSA-N 422.934 3.387 0 40 HGAB CCNC(=O)c1ccc(OCC)c(CN(C)S(=O)(=O)c2ccc(Cl)cc2)c1 224830285 JQSJWVDDPFLYCP-UHFFFAOYSA-N 410.923 3.309 0 40 HGAB CC[C@H](NC(=O)CN(C)S(=O)(=O)c1ccc(OC)cc1)c1ccc(C)c(C)c1 225296767 MRDOEWBFKRWFEA-FQEVSTJZSA-N 404.532 3.200 0 40 HGAB O=S(=O)(N[C@@H](c1cccnc1)C1CCOCC1)c1ccccc1Br 225624506 YVUZFPIMPKVQPE-QGZVFWFLSA-N 411.321 3.290 0 40 HGAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H]1CCCN(Cc2ccccc2)C1 225902078 JOYKHAQFMSMNLT-IBGZPJMESA-N 415.559 3.096 0 40 HGAB Cc1nc(CC(=O)N2CCC[C@@](COc3cccc(Cl)c3)(CC(N)=O)C2)cs1 257320859 VYXBAFUHGGJUHP-HXUWFJFHSA-N 421.950 3.211 0 40 HGAB Cc1ccc(N([C@H](C)C(=O)NCCOc2ccccc2C(C)C)S(C)(=O)=O)cc1 260932794 MZPZHQKKLAWFGE-GOSISDBHSA-N 418.559 3.468 0 40 HGAB COc1ncccc1CN1Cc2cn(Cc3ccccn3)nc2-c2ccn(C)c2C1 306128346 GYDXQOVBERXKLD-UHFFFAOYSA-N 400.486 3.251 0 40 HGAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NC(C)(C)C)CC2)cc1Cl 408583754 JSARJWKRRJXBAZ-UHFFFAOYSA-N 402.944 3.054 0 40 HGAB CC(C)NC(=O)[C@H](C)Oc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 408593424 QGECQEAGPIQMTF-INIZCTEOSA-N 402.516 3.120 0 40 HGAB CC[C@@H](C)NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1OC 408620102 JZVLIWVNBXNBME-OAHLLOKOSA-N 424.950 3.454 0 40 HGAB CC(C)Cn1c(CCc2ccccc2)nnc1SCC(=O)NC[C@H]1CCCO1 409202578 RQYALVUGMYUUBW-GOSISDBHSA-N 402.564 3.107 0 40 HGAB CCc1ccccc1NC(=O)CSc1nnc(CNC(=O)c2ccc(C)cc2)n1C 409352782 YUIWWADZTSCOGR-UHFFFAOYSA-N 423.542 3.347 0 40 HGAB CC(C)NS(=O)(=O)c1ccc(/C=C/c2nc(-c3ccc4cnn(C)c4c3)no2)cc1 544957190 AVHNNIIGYOLNPP-IZZDOVSWSA-N 423.498 3.480 0 40 HGAB COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N2C[C@@H](C)[C@H](C(N)=O)C2)cc1 552948606 GBVXCJCTYNXZKN-FOIQADDNSA-N 405.498 3.356 0 40 HGAB C[C@](O)(Cn1ccccc1=O)C(=O)N1CCC(c2c(Cl)cccc2Cl)CC1 558574008 JLMNOSTXGRRAIT-FQEVSTJZSA-N 409.313 3.312 0 40 HGAB OC[C@H]1[C@H](O)C[C@@H](NCc2ccc(Cl)cc2)[C@@H]1Cc1ccnc(-c2ccccc2)n1 604382404 QVUGZKMPTPQQTD-SSGKUCQKSA-N 423.944 3.487 0 40 HGAB biogenic,in-vitro c1nc(N2CC[C@H](N3CCCCC3)C2)nc(N2CC[C@H](N3CCCCC3)C2)c1C1CC1 677955305 FOJRYMFQHSZZLE-VXKWHMMOSA-N 424.637 3.483 0 40 HGAB Cc1nc2cc(F)ccc2c(=O)n1CC1CCN(c2ncnc3c2CCCC3)CC1 1888897948 FUIHZUZDGNWMQN-UHFFFAOYSA-N 407.493 3.429 0 40 HGAB O=C(CN1CC[C@H]2CN(c3ccccn3)C[C@@H]21)N1CCC(Cc2ccccc2)CC1 1889205622 GKZOACNUDTZFII-GOTSBHOMSA-N 404.558 3.073 0 40 HGAB CCOc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1 898301 QTXVATMWRBCVEZ-UHFFFAOYSA-N 412.471 3.237 0 40 HGAB CC1CCN(S(=O)(=O)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)CC1 921002 DGOCSSOJZCMEFX-UHFFFAOYSA-N 414.593 3.060 0 40 HGAB COC(=O)[C@@](NNc1ccccc1)(c1c(C)[nH]n(-c2ccccc2)c1=O)C(F)(F)F 2270435 MDZJHQJVHAAVDT-IBGZPJMESA-N 420.391 3.021 0 40 HGAB CCOC(=O)c1c(N)n(CCOC(=O)c2ccc(F)cc2)c2nc3ccccc3nc12 2302463 DHOSURVFPPVELQ-UHFFFAOYSA-N 422.416 3.340 0 40 HGAB COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=S)NCCCN(C)C)CC2 3458928 XDOBFRGUWQXCFV-JOCHJYFZSA-N 413.587 3.478 0 40 HGAB COc1ccccc1CNC(=O)[C@H](C)NC(=O)c1cc2c([nH]c3ccccc32)c(C)n1 4088821 YWQAJHJAGJMEQC-HNNXBMFYSA-N 416.481 3.468 0 40 HGAB biogenic CN1C(=O)N[C@H](c2cccc(F)c2)[C@H](C(=O)c2cccs2)[C@]1(O)C(F)(F)F 4162509 RKDPVVPQUMMOQU-IOASZLSFSA-N 402.369 3.333 0 40 HGAB CN(C)CCN(C(=O)[C@H]1COc2ccccc2O1)c1nc2c(F)cccc2s1 4478815 WEKQMVJWYQSFMX-MRXNPFEDSA-N 401.463 3.170 0 40 HGAB Cc1cc(C)cc(N(CC(=O)NCCSCc2ccccc2C)S(C)(=O)=O)c1 4551635 PNNPVVPCIFVKIR-UHFFFAOYSA-N 420.600 3.427 0 40 HGAB COc1ccccc1N1CCN(C(=O)[C@H](CC(C)C)NC(=O)C2CCCCC2)CC1 4747600 PVGVHFYEDQWWRT-FQEVSTJZSA-N 415.578 3.455 0 40 HGAB COc1ccc(-c2n[nH]c(SCC(=O)Nc3ccc(OC)cc3OC)n2)cc1 4816168 LRDLKEXHYSRJFS-UHFFFAOYSA-N 400.460 3.228 0 40 HGAB Cc1occc1-c1nnc(SCC(=O)N2CCOCC2)n1[C@H](C)c1ccccc1 4860302 DVNQEVKGUMWIHT-OAHLLOKOSA-N 412.515 3.407 0 40 HGAB CC1(C)[C@@H]2CC[C@@]1(C)c1nc(SCC(=O)c3ccc4c(c3)NC(=O)CO4)nnc12 5060013 JLJFHXCGHOWWQV-GTJPDFRWSA-N 410.499 3.352 0 40 HGAB CC(=O)[C@H](CN1CCOCC1)[C@H](c1ccccc1)c1c(O)c2ccccc2oc1=O 5832079 WYSBRMWWVGTIDC-FPOVZHCZSA-N 407.466 3.168 0 40 HGAB O=C(COC(=O)C1CCN(C(=O)Nc2ccccc2)CC1)Nc1cccnc1Cl 5970465 BPVYPILDBNSBFN-UHFFFAOYSA-N 416.865 3.161 0 40 HGAB COc1ccc(C(=O)N[C@H](C(=O)OCC(=O)c2ccc(C)cc2)C(C)C)cc1OC 6233757 PGPZDNRSBSOZOW-NRFANRHFSA-N 413.470 3.193 0 40 HGAB CCCNC(=O)CN(c1ccccc1OCC)S(=O)(=O)c1ccc(Cl)cc1 6879569 HPAGNDCZKKXFQV-UHFFFAOYSA-N 410.923 3.460 0 40 HGAB CC(=O)c1ccc(N2CCN(C(=O)C[C@H]3Sc4ccccc4NC3=O)CC2)cc1 6981669 BFQWAORWRRFMIS-HXUWFJFHSA-N 409.511 3.041 0 40 HGAB NC(=O)[C@H]1CN(C(=S)NCCSc2ccc(Cl)cc2)c2ccccc2O1 7368821 HWVDPYHEALXFPE-MRXNPFEDSA-N 407.948 3.060 0 40 HGAB C[C@@H]1CCc2ccccc2N1CC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 7619188 CUNLQXSAGCLKDQ-QGZVFWFLSA-N 413.543 3.251 0 40 HGAB Cc1cc(S(=O)(=O)Nc2ccccc2C(=O)OCC(=O)NC(C)(C)C)ccc1F 7680433 QGNWBZUIXQFJSN-UHFFFAOYSA-N 422.478 3.006 0 40 HGAB O=C1CN(C(=O)c2cc(-c3ccc(Br)cc3)nc3ccccc23)CCN1 7990038 KBEUSJSLEQEPLQ-UHFFFAOYSA-N 410.271 3.236 0 40 HGAB O=C(Nc1nc2c(s1)CCC2)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 8314003 VHHATUXTZAEEBC-UHFFFAOYSA-N 405.545 3.449 0 40 HGAB Cc1c(C)c2c(OCC(=O)NC[C@@H]3CCCO3)cc3c(c2oc1=O)CCC(C)(C)O3 8791659 VROOYHWJGQKECS-HNNXBMFYSA-N 415.486 3.187 0 40 HGAB biogenic O=C(c1ccc(-c2ccc(F)cc2)s1)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 9223818 SRNWILJKVZBSSP-SJORKVTESA-N 423.531 3.363 0 40 HGAB COc1cccc(C(=O)NCC(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)c1 9378455 RISIPKXSZHDEKG-UHFFFAOYSA-N 406.467 3.440 0 40 HGAB Cc1ccc(-n2c(-c3ccc(F)cc3)cn3c4c(=O)[nH]c(=O)n(C)c4nc23)c(C)c1 10104531 KPZGSKHUBDKWAQ-UHFFFAOYSA-N 403.417 3.088 0 40 HGAB COc1ccc(S(=O)(=O)N2c3ccccc3C[C@H]2C)cc1C(=O)N1CCCC1 10449912 MHYUONYKBUQZPC-OAHLLOKOSA-N 400.500 3.071 0 40 HGAB COc1ccc(C(=O)Nc2ccc(F)c(F)c2F)cc1S(=O)(=O)NC(C)C 11370951 OTSNRXARWHZPAL-UHFFFAOYSA-N 402.394 3.052 0 40 HGAB COC(=O)c1ccccc1NC(=O)c1ccc(N2CCCCS2(=O)=O)cc1Cl 11999219 YAHJVZSZNWEJAW-UHFFFAOYSA-N 422.890 3.309 0 40 HGAB CCN(CC)[C@@H](CNC(=O)CCCNC(=O)c1cccs1)c1cccc(OC)c1 12749480 FJGUWUSJECOTDQ-IBGZPJMESA-N 417.575 3.466 0 40 HGAB O=C(CCSc1n[nH]c(=O)n1Cc1ccccc1)Nc1ccnn1C1CCCC1 12812233 NIQVJBZBUSWPPZ-UHFFFAOYSA-N 412.519 3.052 0 40 HGAB COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)/C=C/c1ccc([C@H]2C[C@H]2C)o1 12927436 MQOBEBPEQRMDQR-BQULGAROSA-N 407.470 3.328 0 40 HGAB O=C(NCc1ccccc1OC(F)(F)F)c1ccc2c(=O)n3c(nc2c1)CCC3 12993026 XXFHXYIJBXMZOV-UHFFFAOYSA-N 403.360 3.171 0 40 HGAB CCOC(=O)[C@H]1CCCN(Cc2nc(-c3ccc(OC(F)F)c(OC)c3)no2)C1 15259944 BBHXHQLSGKTFDD-ZDUSSCGKSA-N 411.405 3.122 0 40 HGAB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccccc3C(N)=O)cc2)cc1 17481943 CCQQYDUCAZNXCH-UHFFFAOYSA-N 423.494 3.171 0 40 HGAB CCc1ccccc1NC(=O)CNC(=O)C1CCN(C(=O)c2ccccc2C)CC1 17864045 LQQZQIQKLLDXFJ-UHFFFAOYSA-N 407.514 3.165 0 40 HGAB COc1ccc(NC(=O)[C@@H](c2ccc(C)cc2)N(C)C(=O)c2ccc(=O)[nH]c2)cc1 18250324 HNPNRALBDSQRPK-OAQYLSRUSA-N 405.454 3.144 0 40 HGAB CNC(=O)c1ccc(NC(=O)COC(=O)c2sc(-c3cccs3)nc2C)cc1 19197901 KCSZKPYLMSYEQV-UHFFFAOYSA-N 415.496 3.335 0 40 HGAB O=C(N1CCC[C@@H](C2=NS(=O)(=O)c3ccccc3N2)C1)C1(c2ccccc2)CC1 19369701 HXNMXUMGLKFROQ-MRXNPFEDSA-N 409.511 3.170 0 40 HGAB CCCOc1cc2c(cc1CN1C[C@@H]3CCC[C@H](C1)C3(O)c1nccn1C)OCO2 19503827 UNUVAOUJNPPLDB-NHJWOMDBSA-N 413.518 3.057 0 40 HGAB CC[C@@H]1C[C@H](C(F)(F)F)n2nc(C3CCN(S(=O)(=O)C(C)C)CC3)cc2N1 19520832 DGJGKRURCAVEIC-UKRRQHHQSA-N 408.490 3.498 0 40 HGAB COc1cccc(-c2cc(C(=O)Nc3ccccc3CN3CCN(C)CC3)[nH]n2)c1 19590070 DAXJLPCSJRGIEL-UHFFFAOYSA-N 405.502 3.085 0 40 HGAB C[C@@]1(C(=O)N2CCCN(Cc3ccccn3)CC2)CC(c2ccccc2Cl)=NO1 19661017 KCPYNWXFAMYVFE-QFIPXVFZSA-N 412.921 3.353 0 40 HGAB CC1(C)C[C@H](NC(=O)CCC(=O)N2CC(=O)Nc3ccccc32)c2ccccc2O1 19718183 OLLZWRUKYPOQJT-KRWDZBQOSA-N 407.470 3.171 0 40 HGAB COCCC(=O)N1CCCC[C@H]1c1ncc(C(=O)Nc2ccc(F)cc2)c(C)n1 19765077 LCPXUULRBFQLOB-SFHVURJKSA-N 400.454 3.267 0 40 HGAB Cc1nc([C@H]2CCCN(C(=O)c3ccccn3)C2)ncc1C(=O)NCc1ccccc1 19765386 CJBNRYRAHSXORN-IBGZPJMESA-N 415.497 3.130 0 40 HGAB O=C(NCc1ccccc1)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2Cl)C1 19859616 ZGZZKMZCZXVKKV-KRWDZBQOSA-N 406.935 3.198 0 40 HGAB O=C(NCc1ccccc1-n1ccnc1)c1ccc(I)cc1 20484863 YFLXRCBKAZDGCK-UHFFFAOYSA-N 403.223 3.407 0 40 HGAB Cc1cc(C)c(NC(=O)Cn2ccn(Cc3ccc(Cl)cc3)c(=O)c2=O)c(C)c1 20488731 RNBYNDKTSZOTNL-UHFFFAOYSA-N 411.889 3.276 0 40 HGAB CCc1ccc2oc(=O)cc(CN3CCN(Cc4ccc5c(c4)OCO5)CC3)c2c1 20502915 KOVGUIXBVBJTBQ-UHFFFAOYSA-N 406.482 3.402 0 40 HGAB biogenic C[C@H](NC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)c1ccccc1F 21917142 LCNJXQBWDVWNLN-AWEZNQCLSA-N 402.447 3.388 0 40 HGAB CNC(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1c(C)c(C)c(C)c(C)c1C 22531355 IZUQTEWCXKKLOH-HXUWFJFHSA-N 400.544 3.090 0 40 HGAB COc1cccc([C@@H](CNC(=O)c2ccccc2Br)N2CCOCC2)c1 23106071 OYYFKDQERNFVMC-LJQANCHMSA-N 419.319 3.261 0 40 HGAB CNC(=O)Cc1csc(NC(=O)Cc2csc(Nc3cccc(Cl)c3)n2)n1 23136653 MUIJBJSTFOWQKN-UHFFFAOYSA-N 421.935 3.466 0 40 HGAB COc1ccc(C)cc1NC(=O)C1CCN(S(=O)(=O)Cc2cccc(C)c2)CC1 24612266 APQGLPNFZITEMM-UHFFFAOYSA-N 416.543 3.493 0 40 HGAB Cc1ccc(-n2nc(C)cc2NC(=O)CN(C)Cc2ccc3c(c2)OCCO3)cc1 25045676 BUPXADRLEHWHBD-UHFFFAOYSA-N 406.486 3.331 0 40 HGAB CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)N1C=C(O)Nc2ccccc21)[C@@H](C)CC)C(=O)O 25076479 CSSJVRRJMBZJLL-LUVWLHFXSA-N 418.494 3.015 0 40 HGAB CN(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O 30753247 JSIHOODPPLYZSG-UHFFFAOYSA-N 402.850 3.043 0 40 HGAB O=C(Cc1ccc2c(c1)CCCC2)NCc1ccc(S(=O)(=O)N2CCCC2)s1 31287285 XIYNGXXHDVRKNU-UHFFFAOYSA-N 418.584 3.270 0 40 HGAB COC(=O)CCNC(=O)[C@@H]1c2ccccc2C(=O)N(Cc2ccccc2)C12CCCC2 32090857 XXYIOXTZLZGBES-QFIPXVFZSA-N 420.509 3.418 0 40 HGAB COc1ccc(C(C)(C)C)cc1NC(=O)c1cc(S(=O)(=O)N2CCCC2)c[nH]1 32768110 UBRGHUOVCZAHSQ-UHFFFAOYSA-N 405.520 3.358 0 40 HGAB Cc1nc(SCC(=O)Nc2ccc(OC(F)(F)F)cc2)sc1CC(N)=O 32871312 AXCLBMXUCQJCMV-UHFFFAOYSA-N 405.423 3.109 0 40 HGAB Cc1cc(C(=O)COc2cccc3c2OC(C)(C)C3)c(C)n1[C@H]1CCS(=O)(=O)C1 32910139 SNXBIXJAMYVOCO-KRWDZBQOSA-N 417.527 3.440 0 40 HGAB Cc1ccc(Cl)cc1N1CCN(S(=O)(=O)c2cn(C(F)F)nc2C)CC1 36614847 FDIUIQMNWPQUJH-UHFFFAOYSA-N 404.870 3.059 0 40 HGAB O=C(Nc1nnc(CCOc2ccccc2Cl)s1)c1cn2cccnc2n1 36752165 AYRUYSUUKCVHJQ-UHFFFAOYSA-N 400.851 3.108 0 40 HGAB O=C(c1cc(S(=O)(=O)Nc2ccc3oc(C4CC4)nc3c2)c[nH]1)N1CCCC1 40074754 ZBWCJWVYPKPGOJ-UHFFFAOYSA-N 400.460 3.070 0 40 HGAB C[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccccc1 40112189 QXAICYGBTJMMIH-HNAYVOBHSA-N 406.935 3.241 0 40 HGAB Cc1ccnn1-c1ccc(C(=O)N2CCN(C(=O)N(C)Cc3ccccc3)CC2)cc1 40135131 RCKVPODUGAHALE-UHFFFAOYSA-N 417.513 3.191 0 40 HGAB O=C(c1ccc(-n2cc(Br)cn2)cc1)N1CCN(c2nccs2)CC1 46017651 MHXUCGUAYQUCNA-UHFFFAOYSA-N 418.320 3.054 0 40 HGAB Cc1cc(C(=O)NC2CCN(C(=O)c3csc(-c4ccsc4)n3)CC2)on1 58157371 CLJJBSIEEHFAFY-UHFFFAOYSA-N 402.501 3.203 0 40 HGAB Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)[C@H](C)c2c(C)nn(C)c2C)cc1C 72096569 RNSWQQRGJQMWAX-KDOFPFPSSA-N 400.548 3.297 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc(N3CCOCC3)nc2C)cc1 72219635 JDZCFZAVTSECIJ-FQEVSTJZSA-N 401.532 3.061 0 40 HGAB NC(=O)c1cccc(-c2cnc(N)nc2[C@@H]2CCCN2C(=O)CCc2ccccc2)c1 72354703 ZOENOVDOZTZATP-FQEVSTJZSA-N 415.497 3.121 0 40 HGAB CN(CC(=O)NC1CCN(CC2(c3ccccc3)CCCC2)CC1)C(=O)c1ccco1 72393412 SGFHXQNOUNQLGG-UHFFFAOYSA-N 423.557 3.444 0 40 HGAB COc1ccc(CC(=O)NCCc2nc(C3CC3)cc(C(F)(F)F)n2)cc1OC 77101159 AMQFSNPHSSEMGL-UHFFFAOYSA-N 409.408 3.291 0 40 HGAB CCN(C(=O)Nc1ccc(OCc2ccccn2)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 95983853 MTXCOVAAQYOFBE-INIZCTEOSA-N 423.922 3.355 0 40 HGAB CCOC(=O)[C@]12CCCN(Cc3cccnc3)C[C@H]1CN(Cc1cccc(C)n1)C2 96056084 CWXBCFVTFJGVIF-URXFXBBRSA-N 408.546 3.062 0 40 HGAB CCCNC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(OC)c(OC)c1 113933668 KMXNPFUIKWJARQ-UHFFFAOYSA-N 420.531 3.042 0 40 HGAB C[C@]12CC[C@H](O)C[C@]1(O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](c3ccc(=O)oc3)CC[C@@]12O 118916755 PBSOJKPTQWWJJD-CARMJCIBSA-N 402.531 3.357 0 40 HGAB biogenic Cc1cc(OC2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)cc(=O)o1 206976706 RPKAIICFKUQKMK-UHFFFAOYSA-N 418.298 3.487 0 40 HGAB COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)CCCOc1ccccc1 216421647 QYDYWEUGDKKOCX-UHFFFAOYSA-N 406.504 3.180 0 40 HGAB Cc1cccc(N(CCCC(=O)NCCCc2ccc(F)cc2)S(C)(=O)=O)c1 219618938 NTHDJZBUWUAQDF-UHFFFAOYSA-N 406.523 3.429 0 40 HGAB CN(C)C(=O)COc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1 223304440 XZWGENFDQCHCGN-UHFFFAOYSA-N 403.287 3.261 0 40 HGAB CCCCOC(=O)c1ccc(NS(=O)(=O)c2cc3oc(=O)[nH]c3cc2C)cc1 223321582 IDMMZZLZNBDSCV-UHFFFAOYSA-N 404.444 3.187 0 40 HGAB COc1ccccc1[C@@H](C)NC(=O)CN(c1ccc(Cl)cc1C)S(C)(=O)=O 223832026 HDRXHLBYVZKLIS-CQSZACIVSA-N 410.923 3.300 0 40 HGAB CCOc1ccc(S(=O)(=O)N(CC(=O)OC)c2ccc(OC(C)C)cc2)cc1 224607528 OBCPFMOSOGHQEI-UHFFFAOYSA-N 407.488 3.241 0 40 HGAB C[C@H]1CCc2c(sc(NC(=O)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C(=O)O)c2C(=O)NC2CC2)C1 225764689 NMGHWFRUXCRMIJ-ABXZDOEHSA-N 414.527 3.227 0 40 HGAB C[C@@H]1CCCN(c2cc(N3CCOCC3)nc(NC(=S)NC3CCCCC3)n2)C1 226008051 NMIYDENLWFTAPJ-MRXNPFEDSA-N 418.611 3.169 0 40 HGAB COc1cccc(C=c2sc3nc(-c4ccccc4Br)nn3c2=O)c1 254404831 SUWIYLPDMGUIOM-UHFFFAOYSA-N 414.284 3.137 0 40 HGAB COc1cccc2c1[C@H]1[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3[C@H]2N1C(=O)C(C)(C)C 261828223 HUGYJIJSUVBLPZ-FYQPLNBISA-N 404.466 3.485 0 40 HGAB Cc1ccc(-c2coc3cc(O[C@H](C)C(=O)O)cc(O[C@H](C)C(=O)O)c3c2=O)cc1 263583508 FFJMMBJPBRMULW-CHWSQXEVSA-N 412.394 3.472 0 40 HGAB CCCCNC(=O)COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C 408561307 HOBYMLAPNQCYBK-UHFFFAOYSA-N 402.516 3.042 0 40 HGAB COc1ccc(NS(=O)(=O)c2ccc(NC(=O)NCC(C)C)cc2)cc1OC 408594277 OHBFHEDXGZCBRC-UHFFFAOYSA-N 407.492 3.282 0 40 HGAB COc1ccc(OC)c(NC(=O)c2cccc(N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)c2)c1 408671875 LTJUOPNCZQZLPM-ROUUACIJSA-N 406.438 3.412 0 40 HGAB Cc1ccc(/C=C2/SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)cc1 409207135 SFAHRCFVGLUOFT-HMMYKYKNSA-N 421.522 3.380 0 40 HGAB CO[C@]1(COc2ccccc2F)CCCN(CC(=O)NCc2ccccc2)CC1 585272064 FJUGKHQNJMPUAO-HSZRJFAPSA-N 400.494 3.392 0 40 HGAB CC(C)c1cc(CNC(=O)c2cccc(C(=O)NCc3cc(C(C)C)no3)n2)on1 603967608 PDCYQEBUNHKHTD-UHFFFAOYSA-N 411.462 3.164 0 40 HGAB CN1CCC[C@H](CNC(=O)c2ccc(-n3cnnn3)cc2Cl)[C@H]1c1cccs1 607538716 KEZGQOMSPVCFEZ-ACJLOTCBSA-N 416.938 3.190 0 40 HGAB O=C(CN1CCC[C@@H]1C[C@H]1C[C@H]2CC[C@H]1C2)NCC(=O)Nc1ccc(F)c(F)c1 1190741324 FGJBJDBKFFOUKL-LISAXSMJSA-N 405.489 3.310 0 40 HGAB O=C(Cn1ccc2ccccc21)N1CCC(Oc2ncc(Br)cn2)CC1 1888906283 KNAVRQDANADEBI-UHFFFAOYSA-N 415.291 3.264 0 40 HGAB Cc1ccsc1S(=O)(=O)N1C[C@@H]2[C@@H](CCC[C@H]2N(C)Cc2ccncc2)C1 2055746506 PRDYSQBZBYIOJO-IPMKNSEASA-N 405.589 3.373 0 40 HGAB C[C@H](C(=O)N1CCC(c2ccc3cc(-c4cncnc4)cnc3n2)CC1)n1cccn1 2087066791 BGPQVFVLBGATCJ-MRXNPFEDSA-N 413.485 3.251 0 40 HGAB O=C(CN1C(=O)N[C@@H](CCc2ccccc2)C1=O)Nc1cccc(C(F)(F)F)c1 3321264 ODJBUDKTMWAOSC-INIZCTEOSA-N 405.376 3.197 0 40 HGAB COc1cc(/C=c2/sc3nc(-c4ccco4)nn3c2=O)ccc1OCCC(C)C 3649445 WGRXOVXPTWHNEK-LDADJPATSA-N 411.483 3.392 0 40 HGAB COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CC(=O)c2cc(OC)c(OC)cc21 4154983 OIRFAMXOTLUWJI-HNNXBMFYSA-N 400.427 3.155 0 40 HGAB O=C(CSc1nnc2ccc(-c3ccccn3)nn12)NCc1ccccc1Cl 4376942 MOKGDQSKIUQKJL-UHFFFAOYSA-N 410.890 3.248 0 40 HGAB CC(C)Oc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(C)CC3)cc2)cc1 4621987 RYOVMKAABOMAHG-UHFFFAOYSA-N 412.559 3.352 0 40 HGAB Cc1ccc(N(CC(=O)NC2CCCCC2)C(=O)CNC(=O)c2ccco2)cc1C 4875983 ZBLZSGAXSMDRTF-UHFFFAOYSA-N 411.502 3.108 0 40 HGAB Cc1cc2nc(N3CCN(C(=O)[C@H]4COc5ccccc5O4)CC3)sc2cc1C 5299358 HMUFWCGUNVTFTK-LJQANCHMSA-N 409.511 3.402 0 40 HGAB Cc1nc2sc(C(=O)OCC(=O)Nc3ccc(C)c(Cl)c3)c(C)c2c(=O)[nH]1 5311713 ZTDWTDARFWFTPT-UHFFFAOYSA-N 405.863 3.359 0 40 HGAB CC(C)[C@@H](OC(=O)c1cccnc1Sc1ccc(Cl)cc1)C(=O)NC(N)=O 5683569 DWGIWPRGZAXQKL-CQSZACIVSA-N 407.879 3.263 0 40 HGAB COCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1 6727260 ZFNLCNNKPLPROW-NRFANRHFSA-N 409.486 3.158 0 40 HGAB biogenic CCOC(=O)c1c(C)n(C)c2ccc(OC[C@H](O)CNCCc3ccccc3)cc12 6732824 BNIMQLNSPYAJEB-LJQANCHMSA-N 410.514 3.235 0 40 HGAB O=C(CN1C(=O)COc2ccccc21)Nc1ccc(-c2nnc3n2CCCCC3)cc1 6879703 AXCQZLWWYMJPES-UHFFFAOYSA-N 417.469 3.036 0 40 HGAB CCN(Cc1ccc(OC)c(OC)c1)C(=O)COC(=O)c1[nH]c(C)c(C(C)=O)c1C 7482460 BLGGZGPHUAERBB-UHFFFAOYSA-N 416.474 3.057 0 40 HGAB Cc1cc(C)cc(Oc2coc3cc(OC[C@H](O)Cn4cncn4)ccc3c2=O)c1 7616204 AFCBSYNHUYIEMG-MRXNPFEDSA-N 407.426 3.234 0 40 HGAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C1(c2ccc(Cl)cc2)CC1 7723357 RDBIXDGZVKJPFY-UHFFFAOYSA-N 408.907 3.269 0 40 HGAB C[C@@H](C(=O)N1CCC(Cc2ccccc2)CC1)N(c1ccc(F)cc1)S(C)(=O)=O 7872041 XFODFYULXGYRRT-KRWDZBQOSA-N 418.534 3.462 0 40 HGAB CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)N2CCC[C@H]3CCCC[C@H]32)c1 7989758 ZVPGKCJAPSIUAV-YLJYHZDGSA-N 419.591 3.332 0 40 HGAB O=S(=O)(c1ccc(-c2csc(COc3ccccc3)n2)cc1)N1CCOCC1 8042352 WXZBLKKKZKCERX-UHFFFAOYSA-N 416.524 3.410 0 40 HGAB CCOC(=O)Cc1nn(CN(C)Cc2ccc(Cl)c(Cl)c2)c(=S)n1C 8110815 VAOKKWCOUAZUOZ-UHFFFAOYSA-N 403.335 3.453 0 40 HGAB CCN(CC)Cc1nc(N2CCN(c3ncccn3)CC2)c2c(C)c(C)sc2n1 8149551 OKKYPDUQJIUKOC-UHFFFAOYSA-N 411.579 3.267 0 40 HGAB COc1ccc(CCN(C)C(=O)CCNC(=O)c2ccccc2Cl)cc1OC 8346829 DMKOVLKYIJZJAC-UHFFFAOYSA-N 404.894 3.178 0 40 HGAB COc1ccc([C@@H]2N=C3NCN(Cc4ccco4)CN3c3nc4ccccc4n32)cc1 9262568 CDNHGMAUUMWXGQ-OAQYLSRUSA-N 414.469 3.381 0 40 HGAB Cc1ccc(CNC(=O)c2ccccc2NC(=O)CS(=O)(=O)c2ccccc2)cc1 9698666 NANZQZBBOBLZSZ-UHFFFAOYSA-N 422.506 3.337 0 40 HGAB CCN(CC)c1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CCSC 9750686 NNGPIBNXJHLLTE-UHFFFAOYSA-N 413.609 3.399 0 40 HGAB COc1ccc(S(=O)(=O)CCC(=O)Nc2nc(-c3cccnc3)cs2)cc1 10219466 AXGZIHIBCHXZQX-UHFFFAOYSA-N 403.485 3.016 0 40 HGAB COc1cc(OC)c(NC(=O)CS(=O)(=O)c2ccc(Cl)s2)cc1Cl 11666501 ZOOYKQIQRMFWKR-UHFFFAOYSA-N 410.300 3.485 0 40 HGAB CC(C)(C)C(=O)N1CC[C@@H](CC(=O)O)[C@@H](CCN2CCN(c3ccccc3)CC2)C1 12481327 FIRWIIWANBXAJM-PMACEKPBSA-N 415.578 3.184 0 40 HGAB biogenic,in-vitro CC(=O)N(c1nnc(S[C@H](C)C(=O)Nc2ccc(N(C)C)cc2)s1)C1CC1 12545643 OPJHEFWNVBVXTI-LLVKDONJSA-N 405.549 3.239 0 40 HGAB O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccncc1)c1ccc(F)cc1 12551953 SQGIJKSUPFIKHO-JOCHJYFZSA-N 416.456 3.360 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nc4c(s3)CCC4)CC2)c(C)c1 12849564 IAVQZPOOCGBXTP-UHFFFAOYSA-N 419.572 3.288 0 40 HGAB CCn1c(=O)n(CC(=O)N(C)Cc2ccc(Br)cc2)c2ccccc21 12871063 NAARJKNVHIOVKH-UHFFFAOYSA-N 402.292 3.244 0 40 HGAB COc1ccc(N2C[C@H](C(=O)Nc3nc4c(s3)C[C@H](C)CC4)CC2=O)cc1OC 12907068 ZJASDINSQMFBHY-CHWSQXEVSA-N 415.515 3.277 0 40 HGAB CCc1nnc(NC(=O)[C@@H]2CC(=O)N(c3ccc(Br)cc3C)C2)s1 12952613 KJLYSEPSWAWBHH-SNVBAGLBSA-N 409.309 3.163 0 40 HGAB CCOC(=O)Nc1nnc(SCC(=O)Nc2cc(Cl)ccc2OC)s1 12979689 RTSVUUBOTCQJOX-UHFFFAOYSA-N 402.885 3.499 0 40 HGAB Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)NC[C@H]1COc2ccccc2O1 13003126 FGHMBXNCNQSUFN-KRWDZBQOSA-N 416.481 3.388 0 40 HGAB O=C(COc1ccc2nc3n(c(=O)c2c1)CCC3)Nc1ccc(OC(F)(F)F)cc1 13687261 ZRWUNFKCBQGTQO-UHFFFAOYSA-N 419.359 3.259 0 40 HGAB CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)[C@H](C)Sc1n[nH]c(N)n1 14066480 VOOWNGIVILSDFS-JTQLQIEISA-N 417.516 3.411 0 40 HGAB COc1ccc(NC(=O)CC23CC4CC(CC(C4)C2)C3)cc1S(=O)(=O)N(C)C 14117603 UJNQTIOVYARFEN-UHFFFAOYSA-N 406.548 3.491 0 40 HGAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2ccc(CS(C)(=O)=O)cc2)c1 15828257 STHVBIPXRKWRET-IBGZPJMESA-N 403.500 3.226 0 40 HGAB O=C(O)[C@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C(=O)Nc1nc(-c2ccc(Br)cc2)cs1 17093452 XCCBLJLLIOMBMK-RFGFWPKPSA-N 423.288 3.389 0 40 HGAB CC(C)OCCCNC(=O)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 17408280 PHOSRCAVYWZABV-UHFFFAOYSA-N 418.559 3.172 0 40 HGAB COc1ccc2[nH]c3c(c2c1)CN(C[C@H](O)c1ccc(OC)c(NC(C)=O)c1)CC3 19022189 HHHKOTTYTBLEPC-QFIPXVFZSA-N 409.486 3.235 0 40 HGAB Cc1ccc(CC(=O)N2CCC(c3cc(N(C)C)nc(-c4cnccn4)n3)CC2)cc1 19209335 JKZZMHAWSDPZOQ-UHFFFAOYSA-N 416.529 3.257 0 40 HGAB O=c1ccc2cc(S(=O)(=O)N3CCC[C@@H](c4nc5ccccc5[nH]4)C3)ccc2o1 19375794 HDAGAXPYFBYTGA-OAHLLOKOSA-N 409.467 3.238 0 40 HGAB CC(C)N1CCc2c(nc(C3CCN(Cc4cccc(F)c4F)CC3)[nH]c2=O)C1 19448516 XDVRKYNTFMCCDB-UHFFFAOYSA-N 402.489 3.194 0 40 HGAB CCC(CC)N1CCc2nc3cc(C4CCN(C(=O)C5CC5)CC4)nn3c(O)c2C1 19500285 UWXPXMFPIBXOOJ-UHFFFAOYSA-N 411.550 3.098 0 40 HGAB Cc1n[nH]c2oc(=O)c(CC(=O)NC[C@H](c3ccccc3)N3CCC(C)CC3)c(C)c12 19577214 DQOJKYYWRPOZRL-HXUWFJFHSA-N 422.529 3.265 0 40 HGAB COc1cccc(Cc2cc(C)nc(C3CCN(C(=O)[C@@H]4CC(=O)N(C)C4)CC3)c2)c1 19691557 FPWNICMBDGVCCF-OAQYLSRUSA-N 421.541 3.174 0 40 HGAB Cc1ccc(N2C[C@H](C(=O)N(C)Cc3ccccc3N3CCOCC3)CC2=O)c(C)c1 19714976 LCZYSUSCNNHMGR-OAQYLSRUSA-N 421.541 3.152 0 40 HGAB Cc1nc([C@H]2CCCN(C(=O)c3scnc3C)C2)ncc1C(=O)N1CCCCC1 19763249 MJSUQWWKGVJBIF-INIZCTEOSA-N 413.547 3.196 0 40 HGAB CCc1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc(OC)ccc2C)cc1 22229755 YFZYNNVCLVOUMR-IBGZPJMESA-N 402.516 3.358 0 40 HGAB Cc1ccc([C@H](CNC(=O)c2ccc(Br)o2)N2CCN(C)CC2)cc1 22582591 SHRIMHQQFPRCFU-INIZCTEOSA-N 406.324 3.069 0 40 HGAB O=C(CN1CCN(Cc2ccc3c(c2)CCO3)CC1)N(Cc1ccccc1F)C1CC1 22806680 HJXSHEYZVCFXAI-UHFFFAOYSA-N 423.532 3.069 0 40 HGAB CCc1ccc(-c2noc(CN3CCN(CC(=O)Nc4ccc(C)cc4)CC3)n2)cc1 22930718 WGYMVNMYHGOZLQ-UHFFFAOYSA-N 419.529 3.364 0 40 HGAB Cc1cnc(C(=O)Nc2ccc(C)c(S(=O)(=O)Nc3ccccc3F)c2)cn1 23988525 QVXKLLUDKACMRY-UHFFFAOYSA-N 400.435 3.286 0 40 HGAB O=S(=O)(c1ccc(NC[C@@H]2CCCO2)nc1)N1CCC(Cc2ccccc2)CC1 25778328 GQNDGMDDEZQYON-FQEVSTJZSA-N 415.559 3.316 0 40 HGAB Cc1cc(C)c(C)c(S(=O)(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)c1C 26231830 URBFCHKKQSITED-NRFANRHFSA-N 402.560 3.100 0 40 HGAB Cc1cccc(N2CCN(CCCCNS(=O)(=O)c3cccc(F)c3)CC2)c1 30361116 JRUSEWLOJJWZEK-UHFFFAOYSA-N 405.539 3.015 0 40 HGAB CSc1ccccc1NC(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1 30938148 DXVXBVWTDINNAF-HNNXBMFYSA-N 412.920 3.228 0 40 HGAB CCOc1cc2c(cc1NC(=O)CCn1cnc3c(C)cccc3c1=O)O[C@H](C)C2 32494974 WDFAVQSCLUUSDZ-OAHLLOKOSA-N 407.470 3.456 0 40 HGAB CNC(=O)c1ccc(CN(Cc2ccco2)S(=O)(=O)c2ccccc2F)cc1 32760580 UNFLDAMATOWGDM-UHFFFAOYSA-N 402.447 3.169 0 40 HGAB CN(C)C(=O)c1ccc(NC(=O)CSCc2nc(-c3cccs3)no2)cc1 32778886 QSPJLFPOTRWDHK-UHFFFAOYSA-N 402.501 3.372 0 40 HGAB O=C(NCc1ccc(Cn2cccn2)cc1)[C@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 32795727 ZXMKTNFVTFPASS-QFIPXVFZSA-N 414.509 3.089 0 40 HGAB CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)c1cc(-c2ccc(C)cc2)n[nH]1 32882939 VXTKZMSBXMHYOC-UHFFFAOYSA-N 419.485 3.444 0 40 HGAB Cc1cc(C(=O)CSc2nc3cc(S(N)(=O)=O)ccc3n2C)c(C)n1C(C)C 32946585 QDBKGXBDJWVXAX-UHFFFAOYSA-N 420.560 3.195 0 40 HGAB COc1ccc([C@@H]2CC(O)=Nc3c2ncn3-c2ccc(F)cc2)cc1OCC(N)=O 36359320 QNRBMXQMNZVNRB-HNNXBMFYSA-N 410.405 3.008 0 40 HGAB O=C(COC(=O)C1CCN(C(=O)NCc2ccco2)CC1)c1ccc(Cl)cc1 36392988 NWJPYTYSPFNRIQ-UHFFFAOYSA-N 404.850 3.281 0 40 HGAB O=C1CC[C@]2(C(=O)Nc3ccc(OC(F)(F)F)cc3)N=C(O)c3ccccc3N12 40267045 VMXRTHARISZQLW-SFHVURJKSA-N 405.332 3.365 0 40 HGAB O=C1CC[C@@]2(C(=O)Nc3ccc(Br)cc3)N=C(O)c3ccccc3N12 40282782 XNRRAWMECDJLIJ-GOSISDBHSA-N 400.232 3.229 0 40 HGAB CC[C@H](C)[C@H](NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(F)c(F)c1F)C(=O)OC 43735324 NAJNDDFNMZKUJN-MENVHETRSA-N 424.423 3.072 0 40 HGAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)NCc1ccnc(-n2ccnc2C)c1 47013589 BUSSWRWRMSUZJG-NRFANRHFSA-N 401.470 3.156 0 40 HGAB CCCOc1cc(C)c(C(C)C)cc1S(=O)(=O)N1CCN(C(=O)OCC)CC1 54363070 AUOSUUPLXNWQHG-UHFFFAOYSA-N 412.552 3.370 0 40 HGAB O=C(CCCNC(=O)NC1CCCCC1)NC[C@H]1CCCN(Cc2ccccc2)C1 58131113 QVONLLHHKGKQGA-OAQYLSRUSA-N 414.594 3.427 0 40 HGAB CCCCc1nc(C)c(C(=O)N2CCN(Cc3nc(N)c4ccccc4n3)CC2)s1 58413145 AUPRMYLRKXGVJF-UHFFFAOYSA-N 424.574 3.278 0 40 HGAB CCN(CC)[C@@H](CNC(=O)[C@H]1CCCN1C(=O)CC(C)(C)C)Cc1ccccc1 69491405 FSIIREQSOCKLCF-NHCUHLMSSA-N 401.595 3.483 0 40 HGAB Cc1noc(C)c1CCC(=O)Nc1ccccc1[C@@H]1NC(=O)c2cccnc2N1C 72347382 UZNITPBOHXYIJD-OAQYLSRUSA-N 405.458 3.136 0 40 HGAB Cc1cc(C)n(C[C@H](C)C(=O)Nc2ccc([C@H]3NC(=O)c4cccnc4N3C)cc2)n1 72347417 UDQSTYWCRPBKAB-XOBRGWDASA-N 418.501 3.048 0 40 HGAB CNC(=O)c1ccc(-c2cc(C)nc([C@@H]3CCCN(Cc4cnn(C)c4C)C3)c2)cn1 72353655 CDCGJMZTTBZIKR-LJQANCHMSA-N 418.545 3.233 0 40 HGAB C[C@H](c1cnn(C)c1)N(C)C(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1 95464532 YWXHPUXCERPYIB-CYBMUJFWSA-N 404.517 3.116 0 40 HGAB O=C(Nc1ccccc1O)[C@H]1CC(=O)N(c2n[nH]c3cc(Br)ccc23)C1 95473058 IIWBIVOWECJHEK-JTQLQIEISA-N 415.247 3.023 0 40 HGAB O=C(Nc1ccccc1)[C@@H]1CN(C(=O)c2cc(F)cc(F)c2)CC12CCOCC2 96078698 VDYNLFIWVBJTTF-IBGZPJMESA-N 400.425 3.472 0 40 HGAB Cc1noc(C)c1Cn1c(N2CCN(c3ccccc3)CC2)nc2ccccc2c1=O 96097162 HFPCAODXDDBUEQ-UHFFFAOYSA-N 415.497 3.376 0 40 HGAB COCCn1/c(=N/C(=O)c2cc(OC)c(OC)c(OC)c2)sc2cc(C)ccc21 100872336 QPRFQVAAJKWKBL-DQRAZIAOSA-N 416.499 3.425 0 40 HGAB O=C1[C@H]2C(c3ccc(Cl)cc3Cl)=NO[C@H]2C(=O)N1c1ccc2c(c1)OCCO2 102559457 VMNOQPPQVXIYII-DOTOQJQBSA-N 419.220 3.057 0 40 HGAB O=C(CN1C(=O)[C@H]2CCCC[C@H]2C1=O)Oc1ccc(Br)cc1Cl 103046976 OALYRCXUENGDAR-PHIMTYICSA-N 400.656 3.183 0 40 HGAB C[C@@H]1C[C@@H](C)CN([C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)C1 108929076 WOVUWEXTIHITJF-KZNAEPCWSA-N 407.580 3.166 0 40 HGAB COc1ccc(CCNC(=O)C(=O)Nc2ccc(Br)cc2C)cc1OC 170338482 PBQVCOWQPIDBOD-UHFFFAOYSA-N 421.291 3.072 0 40 HGAB CCOC(=O)c1ccc(C)c(NC(=O)[C@H](CC)N(c2ccccc2)S(C)(=O)=O)c1 219083113 QMVIFITZTHCOJK-IBGZPJMESA-N 418.515 3.355 0 40 HGAB C[C@@H](NC(=O)CN(c1ccc(C(F)(F)F)cc1)S(C)(=O)=O)c1ccccc1 220038343 KYORBXQEKIPCGH-CYBMUJFWSA-N 400.422 3.349 0 40 HGAB CCc1ccc(N(CCCC(=O)Nc2ccccc2C(=O)OC)S(C)(=O)=O)cc1 222639487 QPGCGWNHJHKOHG-UHFFFAOYSA-N 418.515 3.221 0 40 HGAB CSc1nnc(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)s1 223311763 NYNSBDRGUWJIDV-UHFFFAOYSA-N 420.541 3.337 0 40 HGAB CNC(=O)c1ccc(OC)c(NS(=O)(=O)c2ccc(OC)c(Cl)c2Cl)c1 223639041 XRCUPVPWBKGAKI-UHFFFAOYSA-N 419.286 3.171 0 40 HGAB COc1ccc(S(=O)(=O)NCc2ccc(C(C)C)cc2)cc1C(=O)NC(C)C 223881381 HCGCHVRARZJTLU-UHFFFAOYSA-N 404.532 3.435 0 40 HGAB COc1ccccc1[C@H](C)NC(=O)[C@@H](C)N(c1ccc(F)c(F)c1)S(C)(=O)=O 224072758 RUMUEDLOEGVQGL-QWHCGFSZSA-N 412.458 3.005 0 40 HGAB CS(=O)(=O)N(CCCC(=O)NCCOc1ccccc1)c1ccccc1Cl 224668247 KGNNPLIDTRBLOE-UHFFFAOYSA-N 410.923 3.081 0 40 HGAB Cc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(Br)cc2F)cc1 224694103 ASEFQTIXYOYCHO-UHFFFAOYSA-N 402.241 3.177 0 40 HGAB CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(-c3ccc(C(=O)O)o3)cc2)cc1 226353010 DHDJSNMXCNJBEZ-UHFFFAOYSA-N 400.412 3.404 0 40 HGAB O=S1(=O)CCN(S(=O)(=O)c2ccc(Cl)s2)CC[C@H]1c1cccs1 390832353 YWHIKOBQEREPQB-NSHDSACASA-N 411.979 3.014 0 40 HGAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)NC2CCCCCC2)cc1Cl 408589769 FLNYOLLFBCFADV-CYBMUJFWSA-N 402.944 3.245 0 40 HGAB COc1cccc(NS(=O)(=O)c2ccc(O[C@H](C)C(=O)NCC(C)C)cc2)c1 408600379 ALEYSRVBNIIHHU-OAHLLOKOSA-N 406.504 3.036 0 40 HGAB CCOc1ccc(N([C@@H](C)C(=O)NCc2ccccc2Cl)S(C)(=O)=O)cc1 409130198 IRMWHAPEPGXYKP-AWEZNQCLSA-N 410.923 3.210 0 40 HGAB Cc1ccccc1OCc1nn(CC(=O)N2CCN(c3ccccc3)CC2)c(=S)o1 409155524 IZVMAQKIJFXRHM-UHFFFAOYSA-N 424.526 3.442 0 40 HGAB COc1cc2c(cc1OC)[C@H](CC(=O)O)N(C(=O)c1cn(C)c3ccccc13)CC2 553945793 KVCIUFWDLTYQIB-IBGZPJMESA-N 408.454 3.410 0 40 HGAB O=C(O)c1ccc(C(=O)N2CCC(Oc3cccc(Br)c3)CC2)nc1 569666063 NKWCXWDAYYECLW-UHFFFAOYSA-N 405.248 3.226 0 40 HGAB O=C(Cc1ccccn1)N[C@H]1CC2(CCN(c3ncccn3)CC2)Oc2ccccc21 585105951 VWPNAVBIZWIHCU-FQEVSTJZSA-N 415.497 3.093 0 40 HGAB c1nc(N2CC[C@@H](N3CCCCC3)C2)nc(N2CC[C@@H](N3CCCCC3)C2)c1C1CC1 677955304 FOJRYMFQHSZZLE-FGZHOGPDSA-N 424.637 3.483 0 40 HGAB Cc1nc2ccccc2c(=O)n1CC1CCN(c2nccc(C(F)(F)F)n2)CC1 1888882209 JLVDCAUDTYMJKI-UHFFFAOYSA-N 403.408 3.430 0 40 HGAB Cc1nc2cc(F)ccc2c(=O)n1CC1CCN(c2nc3cccnc3n2C)CC1 1888928872 IVBQMTOJNKXAAK-UHFFFAOYSA-N 406.465 3.042 0 40 HGAB Cc1cc(C(=O)N2CCC(c3ccc4cc(-c5cncnc5)cnc4n3)CC2)n(C)n1 1889023474 UTMKJRNZSARGHG-UHFFFAOYSA-N 413.485 3.149 0 40 HGAB Cn1cc(-c2cncc(N3CCN(c4ccc5cc(Cl)ccc5n4)CC3)n2)cn1 2298241806 HLDDUVZKMSSXCG-UHFFFAOYSA-N 405.893 3.405 0 40 HGAB CCOc1cc([C@@H]2C(C(=O)OC)=C(c3ccccc3)Nc3ncnn32)ccc1OC 803068 MKYDXAMTICWVBP-HXUWFJFHSA-N 406.442 3.285 0 40 HGAB O=C(CN(Cc1ccccc1Cl)C(=O)c1csnn1)NCc1ccccc1 1346787 MBYVNUVQFXIRDY-UHFFFAOYSA-N 400.891 3.150 0 40 HGAB C[C@H](OC(=O)CNC(=O)c1ccc(Cl)cc1Cl)C(=O)Nc1ccc(F)cc1 1931362 CTHOQPUBKKXTRS-JTQLQIEISA-N 413.232 3.433 0 40 HGAB Cc1cc(=O)oc2cc(OCC(=O)N3CCC(C(=O)O)(c4ccccc4)CC3)ccc12 2087182 MJBZORKOZMBVFI-UHFFFAOYSA-N 421.449 3.125 0 40 HGAB biogenic Cc1ccc(N2C(=O)[C@H](C(=O)N3CCOCC3)[C@H](c3ccccc3)C(C)(C)C2=O)cc1 2425949 SUYPXZCBVICTHR-SFTDATJTSA-N 420.509 3.153 0 40 HGAB CC[C@@](C)(C(=O)NC1CCCC1)N(C[C@H]1CCCO1)C(=O)c1ccc2c(c1)OCO2 2457389 MEEKJTGSRXDPEW-JPYJTQIMSA-N 416.518 3.264 0 40 HGAB CCC(CC)c1nnc(NC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)s1 2660535 JEDGMMCWPNJHPI-ZDUSSCGKSA-N 416.503 3.205 0 40 HGAB C[C@@H](c1ccccc1)n1c(SCC(=O)N2CCCC2=O)nc2ccccc2c1=O 3287241 CDHNLNIIWNVOJF-HNNXBMFYSA-N 407.495 3.247 0 40 HGAB CCC(=O)N1N=C(c2ccc(NS(C)(=O)=O)cc2)C[C@@H]1c1ccccc1OC 4036248 SYHPQMMCVUCOBN-GOSISDBHSA-N 401.488 3.154 0 40 HGAB CCOc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3cc(C)cc(C)c3)C2)cc1 4942533 IPFHSWMXKONMHR-KRWDZBQOSA-N 410.470 3.237 0 40 HGAB O=C(Cn1c(=O)n(CCc2ccccc2)c(=O)c2ccccc21)Nc1ccc(F)cc1 5000036 MHPQLOIGHOOOGU-UHFFFAOYSA-N 417.440 3.184 0 40 HGAB Cn1c(COc2ccc(Cl)cc2Cl)nnc1SCC(=O)N1CCCC1 5059685 ALFLZUPWISYONC-UHFFFAOYSA-N 401.319 3.415 0 40 HGAB CC(C)c1nc2sc3c(N(CCO)CCO)ncnc3c2c2c1COC(C)(C)C2 5478736 FDPMCQPDSFJGIZ-UHFFFAOYSA-N 416.547 3.005 0 40 HGAB O=C(Nc1nc2ccc(F)cc2s1)c1cccc(S(=O)(=O)N2CCCC2)c1 5559128 AZUAMHABOSUATO-UHFFFAOYSA-N 405.476 3.472 0 40 HGAB CC(=O)[C@@H](Cc1ccccc1)NC(=O)CSc1nnc(-c2ccccc2F)n1C 5938116 VEKUTXZZTIDYFR-GOSISDBHSA-N 412.490 3.030 0 40 HGAB O=C(Cn1cnc2sc3c(c2c1=O)CCC3)Nc1ccc(Br)cc1 6111189 BNVYZUGFDDPNKP-UHFFFAOYSA-N 404.289 3.348 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(F)cc3)CC2)cc1C 6305780 GFIAXLOQKLHVRU-UHFFFAOYSA-N 404.507 3.160 0 40 HGAB C/C=C\C(=O)Nc1scc2c(C(=O)OCC)nn(-c3ccc(F)cc3)c(=O)c12 6327627 REVBIXOBIPBVST-HYXAFXHYSA-N 401.419 3.278 0 40 HGAB O=C(COc1ccc2c3c(c(=O)oc2c1)CCC3)N1CCN(c2ccc(F)cc2)CC1 6660915 UURLJMJDXMBOCH-UHFFFAOYSA-N 422.456 3.148 0 40 HGAB Cc1ccc(-c2cc(NC(=O)CSc3n[nH]c(N)n3)n(-c3ccccc3)n2)cc1 6712175 XONGSSUPQAWLHA-UHFFFAOYSA-N 405.487 3.279 0 40 HGAB aggregator COc1ccc(OC)c(NC(=O)COCc2cc(-c3ccc4c(c3)OCO4)on2)c1 6876324 PYYXWULQHFIGDP-UHFFFAOYSA-N 412.398 3.243 0 40 HGAB CCn1c(CN2CCC(C)CC2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 6908091 INNPSJZOCKAACF-UHFFFAOYSA-N 404.580 3.463 0 40 HGAB O=C(Cn1nnc(-c2ccccc2)n1)N1CCC[C@H](c2nc3ccccc3s2)C1 7279656 CIUICGTUVRWWLA-INIZCTEOSA-N 404.499 3.356 0 40 HGAB COc1ccc(N2C[C@H](C(=O)OCC(=O)c3ccc(C)c(C)c3)CC2=O)c(OC)c1 7881545 ZBTHABGVLRYYKC-QGZVFWFLSA-N 411.454 3.100 0 40 HGAB Cc1ccc2nc(NC(=O)CSc3nnnn3Cc3cccs3)sc2c1 8232477 SADFZDGCFYDTBF-UHFFFAOYSA-N 402.530 3.432 0 40 HGAB CCCC[C@@H](C(=O)OCC(=O)Nc1ccc(C)cc1)N1C(=O)c2ccccc2C1=O 8411250 NRLYPNFXODRCLF-IBGZPJMESA-N 408.454 3.332 0 40 HGAB COc1ccccc1N1CCN(C(=O)CCc2c(C)c3ccc(O)cc3oc2=O)CC1 9304208 ZPRIEGAPPDJBCF-UHFFFAOYSA-N 422.481 3.097 0 40 HGAB COc1ccc(-c2nnc3sc(Cc4ccc5c(c4)OCCO5)nn23)cc1OC 9420439 NQEOWGNOSLVZJS-UHFFFAOYSA-N 410.455 3.232 0 40 HGAB COc1cn(CC(=O)Nc2ccccc2C)c(CSc2nccc(C)n2)cc1=O 9815286 LAGRYVFKSUPKER-UHFFFAOYSA-N 410.499 3.195 0 40 HGAB C[C@@H]1CN(C(=O)CN(C)Cc2ccc(-c3ccc(Br)cc3)o2)CCO1 10858462 QJHGNCPXDUYJGS-CQSZACIVSA-N 407.308 3.388 0 40 HGAB Nc1cc(-c2ccco2)nn(CC(=O)Nc2ccc(N3CCCCCC3)cc2)c1=O 12118008 HTPLBWXPOMUWFS-UHFFFAOYSA-N 407.474 3.105 0 40 HGAB COc1cccc(CC(=O)N2CCC[C@H](c3nc(O)cc(-c4ccncc4)n3)C2)c1 12256876 IXNYQXABEBXMFO-SFHVURJKSA-N 404.470 3.202 0 40 HGAB COc1ccccc1CC(=O)N1CCC(c2nc(O)cc(-c3ccccn3)n2)CC1 12330198 AWNXUGVZLVLVNH-UHFFFAOYSA-N 404.470 3.202 0 40 HGAB CCN(CC)C(=O)c1cc(=O)n(CC(=O)Nc2ccc(F)cc2F)c2ccccc12 12411544 ISJQSNYDQPXJRD-UHFFFAOYSA-N 413.424 3.400 0 40 HGAB biogenic,in-vitro C[C@H](OC(=O)C[C@H]1Sc2ccccc2NC1=O)C(=O)N1CCCc2ccccc21 12425271 UMMWHCKZLUUJDW-IFXJQAMLSA-N 410.495 3.401 0 40 HGAB CCN1CCN(c2ccc(NC(=O)c3cccc(CN4CCCC4=O)c3)cc2)CC1 12534255 RRHGCVRHWUDINO-UHFFFAOYSA-N 406.530 3.203 0 40 HGAB CSc1ccc(CN(C)C(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)cc1 12730370 OOEYBPRIQVWGCV-UHFFFAOYSA-N 404.557 3.393 0 40 HGAB CON(C)S(=O)(=O)c1ccc(Br)c(C(=O)OC2CCCCC2)c1 12921096 GLDYAQWFVOFKFY-UHFFFAOYSA-N 406.298 3.121 0 40 HGAB CN(C)c1ccc2c3c(ccc(N(C)C)c13)[C@](O)(C(F)(F)F)O[C@]2(O)C(F)(F)F 16034494 SXCCOVAVNCTXKR-IYBDPMFKSA-N 424.341 3.417 0 40 HGAB Cc1cccc(-c2nc(CC(=O)NN3C(=O)NC4(CCC(C)CC4)C3=O)cs2)c1 18038525 ZJPIUGNNCYQTCS-UHFFFAOYSA-N 412.515 3.193 0 40 HGAB COc1ccc(N2C[C@@H](C(=O)NCC3(c4cccc(C)c4)CCOCC3)CC2=O)cc1 19234532 ITUMTWXOEPOFQR-IBGZPJMESA-N 422.525 3.221 0 40 HGAB COc1c(C)cccc1C(=O)N1CCC(c2nc(-c3nccs3)cc(=O)[nH]2)CC1 19235823 UBUQEAUOTAZACL-UHFFFAOYSA-N 410.499 3.230 0 40 HGAB Cc1cccc2[nH]c(C(=O)N3CCN(Cc4cc(-c5cccnc5)nn4C)CC3)cc12 19236674 HKDPSKJTRZAMRP-UHFFFAOYSA-N 414.513 3.230 0 40 HGAB Cc1cnccc1C(=O)N1CCc2nc([C@H]3CCCN3C3CCCCC3)[nH]c(=O)c2C1 19239485 ACMLHDGPYOCSDW-OAQYLSRUSA-N 421.545 3.141 0 40 HGAB CCCOc1c(CN2C[C@@H]3C[C@@H](O)CN3C[C@@H]2Cc2ccccc2)cccc1OC 19503806 GZAXKRNQCJBMIL-RJGXRXQPSA-N 410.558 3.346 0 40 HGAB CC[C@@H](C)NS(=O)(=O)c1ccc(OCC(=O)N[C@@H](C)c2ccccc2OC)cc1 20019565 JUOSFPXBRDNNHQ-CVEARBPZSA-N 420.531 3.028 0 40 HGAB COc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2cc(C)cc(C)c2)c1 22229745 MSICEQXYKRCNPI-LJQANCHMSA-N 402.516 3.412 0 40 HGAB COc1ccc(Cl)cc1S(=O)(=O)N[C@H](C)C(=O)N[C@@H](C)c1ccc(F)cc1 22539477 ALYXJPASSOQLJG-NWDGAFQWSA-N 414.886 3.032 0 40 HGAB CC(C)(C)NC(=O)NC[C@H](c1ccc2c(c1)OCO2)N1CCN(c2ccccc2)CC1 22851299 PSPWEZNVLUFDOC-HXUWFJFHSA-N 424.545 3.376 0 40 HGAB O=S(=O)(c1ccccc1C(F)(F)F)N1CCN(Cc2ccccc2F)CC1 23029926 LSLGEMIZXGFYTD-UHFFFAOYSA-N 402.413 3.351 0 40 HGAB O=C(NCc1cccs1)c1nnn(-c2ccccc2)c1CSc1ncccn1 23109172 IXNUZTSMQXKJIB-UHFFFAOYSA-N 408.512 3.341 0 40 HGAB COc1ccc(-c2nnc(CN3C(=O)N[C@](C)(c4ccc5c(c4)CCC5)C3=O)o2)cc1 23908889 JERSGWDFJIKBBP-HSZRJFAPSA-N 418.453 3.201 0 40 HGAB CCOc1cc(C(=O)NC[C@H](CC(C)C)N2CCOCC2)ccc1OC(F)F 26061988 LNBRGYQSJVLAHE-INIZCTEOSA-N 400.466 3.163 0 40 HGAB C[C@]12CCC(=O)N1c1ccccc1C(=O)N2CC(=O)N[C@@H]1CCCc2ccccc21 28431809 QYLCUPIRVQREIM-NTKDMRAZSA-N 403.482 3.179 0 40 HGAB O=C([C@@H]1CC(=O)N(c2ccc(F)cc2)C1)N1CCC(O)(c2ccc(Cl)cc2)CC1 32072441 TWSBVIXUPRXZJU-OAHLLOKOSA-N 416.880 3.342 0 40 HGAB Cc1noc(C)c1CN1CCN([C@@H](C(=O)O)c2c[nH]c3cc(Cl)ccc23)CC1 32103117 BWGVYXOZCGKWIK-LJQANCHMSA-N 402.882 3.370 0 40 HGAB O=C(CSc1nnc(NC(=O)c2ccc(F)cc2F)s1)NCc1ccccc1 35316110 WDWVSCNCSARMBE-UHFFFAOYSA-N 420.466 3.477 0 40 HGAB CC(C)Cn1c(=O)c2sccc2n2c(CCC(=O)Nc3cccc(F)c3)nnc12 35528600 CWQVJTPYZBETQJ-UHFFFAOYSA-N 413.478 3.472 0 40 HGAB Cn1ccnc1[C@@H](NC(=O)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1)c1ccccc1 40015860 XZWVYAIDXLHMQX-FPOVZHCZSA-N 420.488 3.317 0 40 HGAB O=C(CCC1CCCC1)Nc1ccc(CC(=O)N2CCN(c3ncccn3)CC2)cc1 40088535 ZSHIRWZVDIGXQF-UHFFFAOYSA-N 421.545 3.277 0 40 HGAB O=C(Nc1ccc(NC(=O)N2CCN(Cc3ccncc3)CC2)cc1)c1ccco1 40104457 NYARXCIRZORCTJ-UHFFFAOYSA-N 405.458 3.277 0 40 HGAB CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)COC1CCCC1 40140696 LOBJAZSXQMIJRR-UHFFFAOYSA-N 410.536 3.158 0 40 HGAB CCCCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)Nc1cccc(OC)c1 40309752 NWTABUWELSOPBW-HSZRJFAPSA-N 407.470 3.413 0 40 HGAB biogenic C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NC(=O)NCc3cccnc3)cc2)C1 43398083 OMUPWKJHYKDHIR-IYBDPMFKSA-N 402.520 3.070 0 40 HGAB Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1C(=O)C(=O)N1C[C@@H](C)OC[C@H]1C 45448630 IIIHNUGFOMTYCA-VXGBXAGGSA-N 409.408 3.326 0 40 HGAB O=C(NCCNc1ncccc1C(F)(F)F)Nc1nnc(-c2ccccn2)s1 47791401 DTSYQMQMNZKFEN-UHFFFAOYSA-N 409.397 3.248 0 40 HGAB COc1ccccc1CC(=O)Nc1cccc(NC(=O)Cc2ccccc2OC)n1 68740802 UDPBILVSBGXOJS-UHFFFAOYSA-N 405.454 3.461 0 40 HGAB O=C(CCSc1ccc2nncn2n1)NCCc1c[nH]c2ccc(Cl)cc12 71284463 UDJYLFWJMRJOQX-UHFFFAOYSA-N 400.895 3.100 0 40 HGAB Cc1ccc(C)c(NC(=O)c2nnn(CC(=O)NCc3ccccc3Cl)c2C)c1 71327089 VEPLOAKQWLLYNU-UHFFFAOYSA-N 411.893 3.425 0 40 HGAB CCOc1ccccc1NC(=O)Cn1nnc(C(=O)Nc2ccc(F)c(F)c2)c1C 71327302 BXGQXWDGEIHXTA-UHFFFAOYSA-N 415.400 3.154 0 40 HGAB Cc1cc(-c2cc(=O)n(CC(=O)NCc3cccs3)nc2-c2cccs2)on1 72337022 XEOWQBVBXGPMBT-UHFFFAOYSA-N 412.496 3.313 0 40 HGAB Cc1cc(C)nc(Nc2cncc([C@H]3CCCN3S(=O)(=O)c3ccccc3)n2)n1 72376278 PRHRAEADNVHRMC-GOSISDBHSA-N 410.503 3.153 0 40 HGAB CS(=O)(=O)c1cccnc1[C@H]1CCCN(Cc2cc(Cl)c3c(c2)OCO3)C1 72394286 AUYUNGZMUCEUMS-AWEZNQCLSA-N 408.907 3.247 0 40 HGAB CC(C)C[C@H](C(=O)OCc1ncn(-c2ccccc2)n1)N1C(=O)c2ccccc2C1=O 95457949 MSMYHRWDSQUTDC-LJQANCHMSA-N 418.453 3.021 0 40 HGAB CCNC(=O)Nc1c[nH]nc1[C@@H]1CCCN(Cc2cn3cc(Cl)ccc3n2)C1 96000042 JULYCIWSKTZXHV-CYBMUJFWSA-N 401.902 3.232 0 40 HGAB COCc1cc(=O)c(O)c([C@H](CC(=O)OC)c2ccc(OC(F)(F)F)cc2)o1 96117245 LKBCZPOFOIOIEU-CYBMUJFWSA-N 402.321 3.085 0 40 HGAB O=C(NC[C@H]1Cn2cc(-c3ccc4c(c3)OCCCO4)nc2CO1)c1cccs1 96269246 XUPUPNVMGHGNGO-HNNXBMFYSA-N 411.483 3.102 0 40 HGAB biogenic,in-vitro O=C([C@H]1COc2ccccc2O1)N1CCN(c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1 98211723 HKEVZTVTWPYDGW-HXUWFJFHSA-N 424.888 3.219 0 40 HGAB O=C1[C@H]2ON=C(c3ccccc3Cl)[C@H]2C(=O)N1c1ccc(Br)cc1 101204951 KJXVBINEFMPFBK-HIFRSBDPSA-N 405.635 3.395 0 40 HGAB O=C1[C@@H]2[C@@H](c3ccccc3)N3CCCN3[C@H]2C(=O)N1c1cccc(C(F)(F)F)c1 102690955 LPQXAUCZLPZYGO-KZNAEPCWSA-N 401.388 3.241 0 40 HGAB Cc1ccc(S(=O)(=O)N2CC[C@@]3(C[C@H]3C(=O)Nc3cccc(F)c3)C2)cc1F 107233767 FDNZPUABTONHLN-FXAWDEMLSA-N 406.454 3.313 0 40 HGAB COc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccccn3)C2=O)cc1Cl 108041528 HGWSWYOHHBPSOA-DHDCSXOGSA-N 403.847 3.419 0 40 HGAB COc1ccccc1NC(=O)[C@H](C)N(c1cc(Cl)ccc1OC)S(C)(=O)=O 113940686 FIXYCKMGXLFETH-LBPRGKRZSA-N 412.895 3.150 0 40 HGAB COc1ccc(CNC(=O)[C@@H](C(=O)c2ccc(Cl)cc2)n2ccccc2=O)cc1 199411651 UUYGCKBDEQLZMY-HXUWFJFHSA-N 410.857 3.251 0 40 HGAB COc1ccc([C@H](C)NC(=O)CN(c2cccc(Cl)c2C)S(C)(=O)=O)cc1 216235130 PSTRAVSJIJHEPL-AWEZNQCLSA-N 410.923 3.300 0 40 HGAB C[C@H](C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21)N(c1cccc(F)c1)S(C)(=O)=O 220486140 PREHPGWTEYYIHH-RDTXWAMCSA-N 420.506 3.399 0 40 HGAB CN(C(=O)COc1ccc(S(=O)(=O)NC2CCCC2)cc1)c1ccc(F)cc1 222650112 LABZJPSGKJSKIS-UHFFFAOYSA-N 406.479 3.088 0 40 HGAB CN(CCCC(=O)Nc1nnc(-c2ccccc2)s1)S(=O)(=O)c1ccccc1 222924853 GMHJRHCGXYRJCJ-UHFFFAOYSA-N 416.528 3.245 0 40 HGAB CCOCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(OC)cc1)C(C)=O 223260806 URAJRQSZXXHDTM-HSZRJFAPSA-N 412.530 3.198 0 40 HGAB COc1ccc(C(=O)N2CCS/C2=C/c2cccs2)cc1S(=O)(=O)N(C)C 225232611 QPYLLNPJEJFRAQ-SFQUDFHCSA-N 424.569 3.195 0 40 HGAB CC[C@@H](C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)COc1ccccc1OC 225421005 PKEBLZCMUNCDEE-MOPGFXCFSA-N 412.530 3.449 0 40 HGAB COc1ccc(OCC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NCC(C)C)cc1 225676820 KNUHHNCRHRJSBG-QGZVFWFLSA-N 416.493 3.403 0 40 HGAB COc1ccc(NC(=O)[C@]23C[C@@H]2CN(c2ccccc2)S3(=O)=O)c2ccccc12 225938195 GSXIBFMYZBZCGK-QRQCRPRQSA-N 408.479 3.396 0 40 HGAB Cc1nn(C)cc1CN1CCO[C@@H](c2cc(CCOc3cccc(Cl)c3)[nH]n2)C1 257222274 DSQIIRAWOSVOCR-OAQYLSRUSA-N 415.925 3.300 0 40 HGAB COC(=O)c1ccc(OC(=O)[C@H]2CC(=O)N(c3ccc(Br)cc3)C2)cc1 408672612 VOQZQFUBDJASBA-ZDUSSCGKSA-N 418.243 3.194 0 40 HGAB OCCNC(=S)Nc1ccc2nc(-c3ccccn3)c(-c3ccccn3)nc2c1 408975397 BBMDXTOTMBZHLA-UHFFFAOYSA-N 402.483 3.033 0 40 HGAB COC(=O)[C@@H]1C(=O)Nc2sc(C(=O)c3ccccc3)c(N)c2[C@H]1c1ccccc1 409123166 FHJBRZOMFPCGID-ZBFHGGJFSA-N 406.463 3.435 0 40 HGAB Cc1ccc(NC(=O)COc2ccc(S(=O)(=O)NCc3ccccc3)cc2)cc1 409191260 FOHBLQFZYJJPFQ-UHFFFAOYSA-N 410.495 3.491 0 40 HGAB O=C(c1ccc2[nH]ccc2c1)N1CCCCc2ccccc2OC[C@@H](O)[C@@H](O)CC1 643574968 GEMCRWVAUQQOTD-FCHUYYIVSA-N 408.498 3.137 0 40 HGAB Cc1ccc(C)c(O[C@H](C)C(=O)N2CCC(Cn3nc4c(cc3=O)CCCC4)CC2)c1 1775965953 MOROLYXGVQOGLT-LJQANCHMSA-N 423.557 3.445 0 40 HGAB Cn1nccc1-c1ccc(CCNC(=O)C(=O)Nc2ccc(F)c(Cl)c2)cc1 1889277396 XNVLRNSOFJKXRU-UHFFFAOYSA-N 400.841 3.177 0 40 HGAB COc1ccc2c(C)cc(N3CCN(c4cncc(-c5cnn(C)c5)n4)CC3)nc2c1 2298245814 IFSGGGPSBHQXOP-UHFFFAOYSA-N 415.501 3.069 0 40 HGAB CCc1ccc2[nH]c(=O)c(CN(Cc3ccc4c(c3)OCO4)C(=S)NC)cc2c1 875188 HJKONZHQUSYOGD-UHFFFAOYSA-N 409.511 3.326 0 40 HGAB CCOc1ccc2nc(NC(=O)CSc3nncn3-c3ccccn3)sc2c1 933984 FZYUYRIUFXSMFF-UHFFFAOYSA-N 412.500 3.402 0 40 HGAB COCC(=O)N1CCN(c2nc(C)nc3sc4c(c23)CC[C@H](C(C)(C)C)C4)CC1 1357314 JCCMHNGYFJDYEP-HNNXBMFYSA-N 416.591 3.446 0 40 HGAB C[C@]12CCC(=O)N1[C@H](C(=O)OCC(=O)Nc1ccc(-c3ccccc3)cc1)CS2 2664917 SGMXFKZIMRCIJP-AVRDEDQJSA-N 410.495 3.289 0 40 HGAB O=C(CSc1nnc2n(-c3ccccc3)c(=O)c3ccccc3n12)N1CCCCC1 3224414 OQYJXQDSDNHGEO-UHFFFAOYSA-N 419.510 3.138 0 40 HGAB COc1ccc(Cl)cc1NC(=O)COC(=O)c1cc(OC)c(OC)c(OC)c1 3453004 LDFAIZBYWNBKIX-UHFFFAOYSA-N 409.822 3.170 0 40 HGAB COc1ccc(-c2cc(=O)oc3c(C)c(O[C@@H](C)C(=O)NCCCO)ccc23)cc1 4088514 DNFWQAGSARYFRN-HNNXBMFYSA-N 411.454 3.043 0 40 HGAB biogenic COc1ccc(C(=O)Nc2c3c(nn2-c2ccc(C)cc2)C[S@@](=O)C3)c(OC)c1 4106282 JJCROWBNZRGLPS-GDLZYMKVSA-N 411.483 3.213 0 40 HGAB Cn1c(=O)c2c(SCc3ccc(F)cc3)nc(-c3ccccc3)nc2n(C)c1=O 4139110 VNBMIBJTMOJKGS-UHFFFAOYSA-N 408.458 3.126 0 40 HGAB O=C(COC(=O)c1ccccc1N1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1=O)c1ccccc1 4157360 MZWAKOAEORXZOL-LPTDTENNSA-N 403.434 3.262 0 40 HGAB C[C@H](Sc1nc(C2CC2)n(-c2ccccc2)n1)C(=O)Nc1ccc(C(N)=O)cc1 6549707 RATKFRJWRBUXAR-ZDUSSCGKSA-N 407.499 3.363 0 40 HGAB COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NC3CCCC3)c(C)c2)cc1 7361895 XECQKWHEXNBZEU-UHFFFAOYSA-N 418.515 3.242 0 40 HGAB CCc1c(C)nc(-n2nc(C)cc2NC(=O)c2ccc(Br)cc2)[nH]c1=O 7421872 MEEHWKIIBMXKGU-UHFFFAOYSA-N 416.279 3.150 0 40 HGAB O=C(CN1C(=O)COc2ccccc21)Nc1cccc(-c2nnc3n2CCCCC3)c1 8401670 RBMWGQVVUURJSB-UHFFFAOYSA-N 417.469 3.036 0 40 HGAB COC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)Nc2ccc(Cl)cc2)cc1 8413621 HNQVGWPSHDQLHX-UHFFFAOYSA-N 418.833 3.027 0 40 HGAB Cc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)NCc1cccs1 8507925 FBXKIGYNMMSVNU-UHFFFAOYSA-N 400.525 3.465 0 40 HGAB COc1ccc(N(Cc2cc3cc(OC)ccc3[nH]c2=O)C(=O)[C@@H]2CCCO2)cc1 8606825 PHWQCNTXIZBRAY-NRFANRHFSA-N 408.454 3.258 0 40 HGAB COc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3ccc(Cl)cc3)n2N)cc1 8754065 QDMGMTASHMJTEA-LLVKDONJSA-N 403.895 3.440 0 40 HGAB COc1ccc(NC(=O)COc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1 9668691 KJKHOZNLYMRMRP-UHFFFAOYSA-N 418.515 3.277 0 40 HGAB CCn1c(SCC(=O)NCCCOC)nc2scc(-c3cccs3)c2c1=O 9750946 UDOOJCPGUMKAMC-UHFFFAOYSA-N 423.585 3.451 0 40 HGAB COc1ccc2nc(Nc3nc(CSc4ccccn4)cc(=O)[nH]3)nc(C)c2c1 9939016 RPRPEUKZLCAGEL-UHFFFAOYSA-N 406.471 3.461 0 40 HGAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CN[C@H](c1ccccc1)C(C)C 10026415 OMNRNQHZVNRRMD-NRFANRHFSA-N 403.548 3.171 0 40 HGAB O=C(NCc1ccccc1OC(F)(F)F)c1cccc(N2CCCS2(=O)=O)c1 11178665 JNMPYXROOWSANY-UHFFFAOYSA-N 414.405 3.055 0 40 HGAB Cc1nc(NC(=O)c2cc(-c3ccccc3)n([C@H]3CCS(=O)(=O)C3)n2)sc1C 11998569 OZKYENGIIPPDOH-HNNXBMFYSA-N 416.528 3.235 0 40 HGAB Cc1ccc(NC(=O)CN2CC3(CCN(C)CC3)Oc3ccccc3C2=O)cc1F 12142619 JAMIRYSQCBAFHO-UHFFFAOYSA-N 411.477 3.072 0 40 HGAB CCc1cc(C(F)(F)F)n2nc([C@H]3CCCCN3C(=O)Cn3cccn3)cc2n1 12230240 BQOGMXVEOKINGQ-OAHLLOKOSA-N 406.412 3.261 0 40 HGAB CC(=O)N1C(=O)[C@@]2(SCC(=O)N2c2ccc(Br)cc2)c2ccccc21 12364172 HDSUYIRGYJBWDA-SFHVURJKSA-N 417.284 3.275 0 40 HGAB Cc1nn(CCC(=O)N2CCC[C@H](c3nc4ccccc4cc3C(N)=O)C2)c(C)c1C 12747061 AUBMIXDZZOFCPN-IBGZPJMESA-N 419.529 3.252 0 40 HGAB C[C@@H]1CCCN(Cc2csc(NC(=O)CNC(=O)c3ccc(Cl)cc3)n2)C1 12790151 BNQUTLHGDKSWBS-CYBMUJFWSA-N 406.939 3.397 0 40 HGAB CS(=O)(=O)N1CCc2cc(C(=O)N[C@@H]3CCSc4c(F)cccc43)ccc21 12899623 VIOOXTRSZZPXQV-MRXNPFEDSA-N 406.504 3.115 0 40 HGAB Cc1cc(C(=O)N(CC(=O)Nc2ccccc2)Cc2ccco2)c2c(C)nn(C)c2n1 12909061 QOXXKSLHPKQHGE-UHFFFAOYSA-N 417.469 3.459 0 40 HGAB COc1ccc(S(=O)(=O)Nc2ccc(Nc3ccc(-n4cccn4)nn3)cc2)cc1 13009951 DAOWUGWCCSYTHK-UHFFFAOYSA-N 422.470 3.215 0 40 HGAB Cc1cc(-c2snnc2[C@H]2CCCN(C(=O)Cn3nc(C)c(Cl)c3C)C2)on1 13226013 SCWDZHYENXJWPW-ZDUSSCGKSA-N 420.926 3.374 0 40 HGAB COc1cc2c(cc1OC)CN(C(=O)N[C@@H](C)C(=O)Nc1cccc(Cl)c1)CC2 13623905 BSSVXFKZUSZYJT-ZDUSSCGKSA-N 417.893 3.452 0 40 HGAB COC(=O)C1CCN(C(=O)COc2ccc3c(=O)c(-c4ccccc4)coc3c2)CC1 13691248 NOORJRUPQFOTDG-UHFFFAOYSA-N 421.449 3.250 0 40 HGAB biogenic COc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(C)c(Cl)c3)CC2=O)cc1 13856500 VIIJTOOBRGDTOY-AWEZNQCLSA-N 416.861 3.192 0 40 HGAB COc1ccc(CNC(=O)Cc2cc(=O)[nH]c(SCc3ccc(F)cc3)n2)cc1 16851341 YCACVCPLDLWEFN-UHFFFAOYSA-N 413.474 3.069 0 40 HGAB CCCS(=O)(=O)N1CCCc2cc(NS(=O)(=O)c3ccc(F)cc3)ccc21 17286990 MTZONXJQGSBVKP-UHFFFAOYSA-N 412.508 3.119 0 40 HGAB CCn1c(=O)c(=O)[nH]c2cc(C(=O)N(C)Cc3cccc(Cl)c3Cl)ccc21 17916977 JNAZGXAMENCWIE-UHFFFAOYSA-N 406.269 3.289 0 40 HGAB CC(=O)N1CCC(C(=O)N2CCCC[C@@H]2c2nc(O)cc(-c3ccsc3)n2)CC1 19016753 XLCFPLCCZZSHFO-GOSISDBHSA-N 414.531 3.223 0 40 HGAB Cc1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H]([C@@H]1CCCN(C(=O)CCc3ccno3)C1)N2 19127813 AVUTYTSQTABJNC-VNQPRFMTSA-N 411.428 3.339 0 40 HGAB Cc1ccc2nc(C)cc(OCC(=O)N(C[C@H]3CCCO3)C3CCN(C)CC3)c2c1 19220598 SRJDQXKVHSKGNV-HXUWFJFHSA-N 411.546 3.332 0 40 HGAB CCCC(=O)N1CCO[C@@](Cc2ccccc2-c2ccsc2)(C(=O)N(C)C)C1 19501525 UIMFPBQRCKEFKW-JOCHJYFZSA-N 400.544 3.444 0 40 HGAB Cc1nn(C(F)F)c(C)c1S(=O)(=O)N1CCC[C@@H](c2cc3ncccc3[nH]2)C1 19577600 KHDOIMRINAUKRO-CYBMUJFWSA-N 409.462 3.340 0 40 HGAB CCn1ccc(C(=O)NCCn2ncc(-c3ccncc3)c2-c2ccc(F)cc2)n1 19578011 UOOMYHGQYHMTCU-UHFFFAOYSA-N 404.449 3.398 0 40 HGAB COCc1ccc(C(=O)N2CCC(c3cc(C(F)(F)F)n4ncnc4n3)CC2)cc1 19594392 BPDVWSDSVRUAKR-UHFFFAOYSA-N 419.407 3.309 0 40 HGAB CCC(=O)N(C)Cc1nc(C)c2c(n1)N(CCc1c[nH]c3ccccc13)C(=O)CC2 19698424 GCQLCCAQTITRFL-UHFFFAOYSA-N 405.502 3.157 0 40 HGAB COc1cccc(C(=O)N2CC[C@@H](C(=O)Nc3ccccc3CN3CCCC3)C2)c1 19750451 WRCGGXJATNULFW-HXUWFJFHSA-N 407.514 3.392 0 40 HGAB CNC(=O)c1cc([C@H]2CCN(C(=O)Cc3ccc(OC)cc3)C2)nc2ccccc12 19754669 GUWNFJNIPKJNKQ-KRWDZBQOSA-N 403.482 3.162 0 40 HGAB Cc1nc(CC2CCN(C(=O)c3ccc4c(c3)OCCO4)CC2)cc(N2CCCC2)n1 19758591 HNYBTMAYTCESSY-UHFFFAOYSA-N 422.529 3.251 0 40 HGAB CC(=O)c1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccccc3)C2)c1 19857458 JENMLZIUPGQXDL-LJQANCHMSA-N 400.500 3.070 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cc(F)ccc3F)C2)cc1C 20016803 PKBLVSLYUIDGPM-CQSZACIVSA-N 424.469 3.321 0 40 HGAB CC[C@@H](C)NS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(F)c(F)c2F)cc1 20019636 QITYPBCUUFRJPK-LLVKDONJSA-N 416.421 3.198 0 40 HGAB COc1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2C)cc1 20061759 NPLLYDMWXOJQSH-UHFFFAOYSA-N 416.543 3.354 0 40 HGAB CCOc1ccc([C@H](C)NC(=O)[C@@H](C)N(c2ccc(OC)cc2)S(C)(=O)=O)cc1 20450481 WAEBOSMNRMYOQA-JKSUJKDBSA-N 420.531 3.126 0 40 HGAB COC(=O)c1cc(-c2ccccc2)sc1NC(=S)NCCCN1CCOCC1 22468424 XKJXBJAXLWFSID-UHFFFAOYSA-N 419.572 3.210 0 40 HGAB Cc1ccc(CN(C)C(=O)C2CCN(S(=O)(=O)Cc3ccccc3F)CC2)cc1 22513760 CGRDKNWLOPGESD-UHFFFAOYSA-N 418.534 3.335 0 40 HGAB CCc1nc2sc([C@@H](c3ccc(F)c(F)c3)N3CCN(CC)CC3)c(O)n2n1 22578150 MLTNTIGSUWUKQK-MRXNPFEDSA-N 407.490 3.064 0 40 HGAB O=C(c1ccc(-c2ccccc2)cc1)N1CCN(Cc2nnnn2-c2ccccc2)CC1 23134184 KESSZBSSWUQXAQ-UHFFFAOYSA-N 424.508 3.287 0 40 HGAB O=C(/C=C/c1cnn(-c2ccccc2)c1)NC[C@H](c1cccs1)N1CCOCC1 23199777 KEQUEHPFHBFNPP-NDDJGDGRSA-N 408.527 3.137 0 40 HGAB Nc1nc(CN2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)nc2ccccc12 24991669 ONPUHHMNMJGHEM-UHFFFAOYSA-N 415.419 3.189 0 40 HGAB CCn1nc(C)c(CN(C)C(=O)c2ccn(COc3ccc(F)cc3F)n2)c1C 28231585 IEVYUUSCFXTQGG-UHFFFAOYSA-N 403.433 3.303 0 40 HGAB Cc1ccc(-n2ncc([C@H](C)NC(=O)c3ccc(NS(C)(=O)=O)cc3)c2C)cc1 29282385 MJSIOWUBFRXYPK-HNNXBMFYSA-N 412.515 3.352 0 40 HGAB CC(=O)N1C[C@@H](C(=O)Nc2nc(CN3CCCCCC3)cs2)Oc2ccccc21 29636890 MHGVPRBAVGLLOP-IBGZPJMESA-N 414.531 3.272 0 40 HGAB Cn1ncc2c(N3CCN(c4ccccc4)CC3)nc(NCc3ccc(F)cc3)nc21 32070407 JHYQVDDHCZLEGT-UHFFFAOYSA-N 417.492 3.441 0 40 HGAB COc1ccc(-c2noc(-c3ccc(OCC(=O)NC[C@H]4CCCO4)cc3)n2)cc1 32578844 CCZPYJHQPYPXNN-LJQANCHMSA-N 409.442 3.086 0 40 HGAB COc1ccc(-c2noc(CCC(=O)N[C@H](C)c3nc4ccccc4[nH]3)n2)cc1OC 32768744 XAKDCPSEQVLMPD-CYBMUJFWSA-N 421.457 3.440 0 40 HGAB Cc1ccccc1C(=O)N[C@H](C(=O)N1CCC[C@H](c2nnc3ccccn23)C1)C(C)C 32830497 QWDZPFUUHNXKND-RXVVDRJESA-N 419.529 3.198 0 40 HGAB C[C@H](C(=O)N1CC(=O)Nc2ccccc21)N(C)Cc1ccc(OC(F)(F)F)cc1 40063157 IGCLSNFBECLUBW-CYBMUJFWSA-N 407.392 3.391 0 40 HGAB C[C@H](NC(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1)c1ccc(S(C)(=O)=O)cc1 44857107 BXLUAGFQRDOCEO-LPHOPBHVSA-N 418.534 3.319 0 40 HGAB COC(=O)c1sc(Cl)cc1S(=O)(=O)Nc1cc(OC)c(OC)c(OC)c1 44921016 MAFCMPJKZMDPSB-UHFFFAOYSA-N 421.880 3.015 0 40 HGAB CCOC(=O)N[C@@H]1CCCN(Cc2cc(=O)n3c(-c4ccccc4)csc3n2)C1 48289474 MKICUGDEOIQPFI-MRXNPFEDSA-N 412.515 3.134 0 40 HGAB NC(=O)[C@H]1CN(c2nc(-c3cccs3)nc3scc(-c4ccccc4)c23)CCN1 57290287 AOOAJLXZDQFSOI-OAHLLOKOSA-N 421.551 3.350 0 40 HGAB CC1CCN(C(=O)c2nnc3sc(-c4ccc(Br)cc4)nn23)CC1 57354619 QGVXFSUDPNPWNB-UHFFFAOYSA-N 406.309 3.487 0 40 HGAB COc1ccc(NC(=O)Cn2c(=O)n(-c3cccc(C)c3)c(=O)c3sccc32)cc1 57490045 FIMTWMLGEQGUAN-UHFFFAOYSA-N 421.478 3.170 0 40 HGAB COc1ccc([C@H]2Nc3ccccc3C(=O)N2CCC(=O)NCc2cccnc2)cc1 61720556 MOOJYXKAQVNGIQ-QHCPKHFHSA-N 416.481 3.363 0 40 HGAB O=c1c2sccc2n2c(=O)n(Cc3cccc(F)c3)nc2n1Cc1cccs1 64946486 IBSSUVDPGMYCFK-UHFFFAOYSA-N 412.471 3.170 0 40 HGAB COC(=O)c1cc(OCC(=O)Nc2ccc(C)cc2)c2cc(OC)c(OC)cc2n1 65033445 BIFKNIRABYPTID-UHFFFAOYSA-N 410.426 3.365 0 40 HGAB COc1cc(NC(=O)NC[C@@H]2Cc3ccccc3O2)ccc1NC(=O)c1cccnc1 65475090 JZLJYDIUKYTNLH-SFHVURJKSA-N 418.453 3.468 0 40 HGAB Cc1ccc(C)c([C@@H]2NC(=O)N(CC(=O)Nc3ccc(C)c(F)c3)C3=C2C(=O)OC3)c1 67288774 ZWPZFGOBSOVFMT-NRFANRHFSA-N 423.444 3.267 0 40 HGAB CC(=O)N1N=C(c2ccccc2NS(C)(=O)=O)C[C@@H]1c1ccnc2ccccc12 71924246 OCDRVUBFBJTHMS-OAQYLSRUSA-N 408.483 3.304 0 40 HGAB CCN1CC[C@@]2(CCC1=O)C[C@H](NC(=O)c1ccc3c(c1)OCO3)c1ccccc1O2 72327823 XYOIRJWLDNAAJH-UUOWRZLLSA-N 422.481 3.440 0 40 HGAB CN(C)CCNc1nc(-c2ccccn2)nc2c1CN(Cc1ccc(F)cc1)CC2 72341933 AARSWIXOXXBBSZ-UHFFFAOYSA-N 406.509 3.210 0 40 HGAB CCc1nnc(Nc2cccc(C3CCN(C(=O)C4CCOCC4)CC3)n2)s1 72382959 NSJNUTQAULPGMP-UHFFFAOYSA-N 401.536 3.372 0 40 HGAB NC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(c2ccnc(-c3ccccc3)n2)CC1 95350237 ZSYJYDADDZHANL-HXUWFJFHSA-N 407.905 3.146 0 40 HGAB Cc1c(C)c2ccc(OCC(=O)N[C@@H](C)c3nnc4ccccn34)c(C)c2oc1=O 95472158 SDBNAQCOAWRKGF-HNNXBMFYSA-N 406.442 3.017 0 40 HGAB CCOc1ccccc1[C@@H]1CC(c2ccc(OC)cc2OC)=NN1S(C)(=O)=O 95945230 CGXVTEUKQSTPRA-SFHVURJKSA-N 404.488 3.213 0 40 HGAB CC1(C(=O)N2CC[C@]3(C2)c2ccccc2S(=O)(=O)N3Cc2ccc(F)cc2)CC1 96143140 QDLGNBQQELYSAM-QFIPXVFZSA-N 414.502 3.258 0 40 HGAB COc1cccc(N2C(=O)C[C@H](c3c(C)nn(-c4nc5ccccc5o4)c3O)C2=O)c1 100068962 DRVSRBZYHVTFAN-OAHLLOKOSA-N 418.409 3.083 0 40 HGAB COc1ccc(C2=NO[C@@H]3C(=O)N(c4cccc(C(F)(F)F)c4)C(=O)[C@H]23)cc1OC 101275835 FIZFELCGKLUBJV-WBVHZDCISA-N 420.343 3.015 0 40 HGAB CCc1ccc(-n2nc3c4cc(C(=O)NC[C@H]5CCCO5)ccc4[nH]cc-3c2=O)cc1 101282358 FLFHXVRSRFYKFR-GOSISDBHSA-N 416.481 3.290 0 40 HGAB COc1ccc(NC(=O)[C@@H](Cc2ccccc2)N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 101420850 CJRBEPKBGJUMOY-RGBOINFLSA-N 416.477 3.052 0 40 HGAB Cc1cccn2c(NC(=O)CN3C(=O)[C@H]4CC=CC[C@H]4C3=O)c(-c3ccccc3)nc12 103590854 UXJRZBCMKQKZJM-HDICACEKSA-N 414.465 3.199 0 40 HGAB Cc1nnc(N2C(=O)c3ccc(C(=O)O[C@@H](C)C(=O)c4ccccc4)cc3C2=O)s1 138552179 LIPDYUZBWDGSCF-NSHDSACASA-N 421.434 3.075 0 40 HGAB O=S(=O)(c1ccc2c(c1)CCO2)N1CCS[C@H](c2ccc3c(c2)OCO3)CC1 219260805 SFKYWUXGPNNIKN-FQEVSTJZSA-N 419.524 3.219 0 40 HGAB CNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN1C(=O)c2cccc3cccc1c23 222375768 KUYOJGFZTOKRGT-QGZVFWFLSA-N 415.493 3.272 0 40 HGAB COC(=O)c1cn(C(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)c2ccccc12 222628244 USJUVQJGAWLPND-UHFFFAOYSA-N 420.874 3.042 0 40 HGAB CCC(=O)Nc1nnc(S(=O)(=O)Nc2ccc(OCc3ccccc3)cc2)s1 223529948 TYKMDIYHSSNMDU-UHFFFAOYSA-N 418.500 3.266 0 40 HGAB Cc1ccc(OCCNC(=O)[C@@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)c(C)c1 223898036 ADRNKBXSPSVROZ-MRXNPFEDSA-N 424.950 3.307 0 40 HGAB COc1ccc(C(=O)N2CCCCC2)cc1CN(C)S(=O)(=O)c1ccccc1 224772014 VPANFBNAVFGNNB-UHFFFAOYSA-N 402.516 3.142 0 40 HGAB COc1ccc(S(=O)(=O)N(CC(=O)O)c2cccc(Cl)c2Cl)cc1OC 224813510 KQUFDYNLCQJODE-UHFFFAOYSA-N 420.270 3.291 0 40 HGAB Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)N[C@@H](C)c3ccc(C)cc3)s2)cc1 224941905 DXAFRLRXRDZGNX-AWEZNQCLSA-N 416.528 3.447 0 40 HGAB Cc1cc(Cl)cc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2[C@@H]2CCCN21 247915203 MLICOSSRVQCELY-ORQYLMBXSA-N 421.884 3.080 0 40 HGAB Cc1nccn1-c1cccc([C@@H]2CCCN2C(=O)c2ccc(OCCN(C)C)cc2)n1 257251745 JSBCNQOAAPTHGD-QFIPXVFZSA-N 419.529 3.493 0 40 HGAB Cc1ccc(C(=O)NCCCN2C[C@@H](C)C[C@H](C)C2)cc1N1CCCCS1(=O)=O 260561332 BUUPZTQAUZDDOH-ROUUACIJSA-N 421.607 3.023 0 40 HGAB Cc1ccc(C)c(N(Cc2ccc(C(=O)NC[C@H]3CCCO3)cc2)S(C)(=O)=O)c1 260810889 KSZMMWRNRHFNFT-HXUWFJFHSA-N 416.543 3.178 0 40 HGAB CNC(=O)COc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1Cl 408586879 CSDHLUXJSIMSKO-UHFFFAOYSA-N 422.812 3.284 0 40 HGAB CCNC(=O)C(=O)Nn1c(C(=O)Nc2cccc(Cl)c2)cc2cc(Cl)ccc21 408601225 ANJAUABZVYNHLT-UHFFFAOYSA-N 419.268 3.407 0 40 HGAB CCCCNC(=O)COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1C 408619723 IRWWJPSDKWHLRY-UHFFFAOYSA-N 416.543 3.432 0 40 HGAB CCOC(=O)COc1ccc(/C=C2\SC(=O)N(CC(=O)O[C@H](C)CC)C2=O)cc1 409203135 UQHVUTTYZFNVET-YDRQLGOLSA-N 421.471 3.007 0 40 HGAB COc1ccc2cc([C@H]3C4=CNNC4=Nc4c3c(=O)oc3ccccc43)c(O)nc2c1 524731899 OLRRXHJVJJJRKV-SFHVURJKSA-N 412.405 3.223 0 40 HGAB biogenic COc1cccc(C(=O)N2CC[C@@]3(C2)c2cccn2-c2ncccc2N3CCF)c1 585106971 MNMHTPNSTBOIAB-HSZRJFAPSA-N 406.461 3.412 0 40 HGAB C[C@H](CN1C[C@@H]2CN(S(=O)(=O)c3cc(F)cc(F)c3)CC[C@@H]21)c1ccccc1 585108035 XKSOIVWCAUSGSI-CEQIKUNHSA-N 406.498 3.463 0 40 HGAB COCCOc1nc(-c2ccccc2)nc2c1CCN(C(=O)Cc1ccccc1)CC2 585111208 JGLKCIDWJQXFQN-UHFFFAOYSA-N 417.509 3.339 0 40 HGAB O=C(Cc1ccc(Cl)cc1)NCCn1nc(-c2ccc(F)cc2)n(C2CC2)c1=O 585199705 ADGZRHJCJMFJHD-UHFFFAOYSA-N 414.868 3.198 0 40 HGAB CC(C)OC1CCN(C(=O)[C@H]2CCCN(C(=O)CCOc3ccccc3)C2)CC1 593122164 OAQYLNZCENZBHK-IBGZPJMESA-N 402.535 3.110 0 40 HGAB O[C@H](COCc1ccccc1Cl)CN1CCC[C@H](c2nnc3n2CCCCC3)C1 613409542 HSWVPORDMRZURA-HKUYNNGSSA-N 418.969 3.415 0 40 HGAB CSc1ncc(Br)c(N2CC(Cn3cc(Br)cn3)C2)n1 1889119659 XOWJVDOOTAUTOR-UHFFFAOYSA-N 419.146 3.056 0 40 HGAB COc1cccc(S(=O)(=O)N2CC[C@H](COc3cccc(C(F)(F)F)n3)C2)c1 1889224937 BOSAXHFLLBPEOY-ZDUSSCGKSA-N 416.421 3.199 0 40 HGAB Cc1cc(N2CCC(Cn3c(C)nc4ccccc4c3=O)CC2)n2nc(C)cc2n1 1889224987 MAIUCPKASJUDAH-UHFFFAOYSA-N 402.502 3.281 0 40 HGAB CCOc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1 800646 RJSSHOQOJFPWMG-AWEZNQCLSA-N 416.861 3.274 0 40 HGAB COc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2-c2cc(C)cc(C)c2O)cc1 2441145 ICZPFVQBVMFXNG-UHFFFAOYSA-N 405.454 3.026 0 40 HGAB COc1ccc(/C=C/C(=O)OCC(=O)NCCc2ccc(Cl)cc2)cc1OC 3377750 OIVCOGJUSBMFAR-UXBLZVDNSA-N 403.862 3.273 0 40 HGAB COc1ccc(Cl)cc1NC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCC2)c1 3549884 UFVBBJHUSCSFSS-UHFFFAOYSA-N 424.906 3.394 0 40 HGAB COc1cc(/C=C2\NC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)ccc1OC(C)C 4545314 KWOOEGHNZAYJMG-WQRHYEAKSA-N 423.469 3.322 0 40 HGAB COc1ccccc1NC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1ccc(SC)cc1 4879230 FNXWWTANPCUFPM-GOSISDBHSA-N 408.487 3.331 0 40 HGAB O=C(NCc1ccc(Cl)cc1)OCCCNC(=O)c1cc2ccccc2oc1=O 5010850 VPHFSFTXWSFTQS-UHFFFAOYSA-N 414.845 3.493 0 40 HGAB Cc1ccccc1OCC(=O)N(Cc1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 5072158 QBZWVDKRWYJHGN-GOSISDBHSA-N 407.919 3.243 0 40 HGAB CC[C@H]1Oc2ccccc2C(=O)N(CC(=O)c2cnn(-c3ccccc3)c2C)C1=O 6669590 MUJWUDRKXVVADT-HXUWFJFHSA-N 403.438 3.203 0 40 HGAB CCc1cccc2c(C(=O)CSc3nnc(C[C@H]4CCS(=O)(=O)C4)o3)c[nH]c12 7045989 XXLQNGDNMOELBC-GFCCVEGCSA-N 419.528 3.066 0 40 HGAB CC(C)OC(=O)c1ccc(NC(=O)Cn2cnc3sc4c(c3c2=O)CCC4)cc1 7061562 BWSNHLVJMXWZTC-UHFFFAOYSA-N 411.483 3.151 0 40 HGAB COc1ccc(CNC(=O)[C@H](C)Sc2nc(-c3cccs3)n[nH]2)cc1OC 7260102 DHLQOWVTLJYWKS-NSHDSACASA-N 404.517 3.347 0 40 HGAB O=C(Cn1cnc2ccc(Br)cc2c1=O)N1CC[C@@H]2CCCC[C@H]2C1 7328222 RXSABHVEDHPQST-KBPBESRZSA-N 404.308 3.198 0 40 HGAB COc1ccc(Br)cc1CN(C)C(=O)[C@@H]1CC(=O)N(C2CCCC2)C1 7784431 FVPNUXCWXXDNNJ-CQSZACIVSA-N 409.324 3.207 0 40 HGAB COc1ccc(NC(=O)COC(=O)CCC(=O)Nc2cc(Cl)ccc2OC)cc1 7939931 QMSLQMAUFCSPOA-UHFFFAOYSA-N 420.849 3.258 0 40 HGAB COCCN(CC(=O)Nc1ccc2c(c1)CCC2)Cc1nnc(-c2cccs2)o1 8246715 DNJKIZBKIGKRPH-UHFFFAOYSA-N 412.515 3.374 0 40 HGAB C[C@@H]1CC[C@@H]2C(=O)N(c3cccc(C(=O)OCC(=O)Nc4ccccc4)c3)C(=O)[C@@H]2C1 8411185 ABCYZMGULGDHDE-UIAACRFSSA-N 420.465 3.408 0 40 HGAB Cc1cccc2cc(CN(C[C@@H]3CCCO3)C(=S)NCc3ccco3)c(=O)[nH]c12 8829025 GAHCYUXWGDECNL-IBGZPJMESA-N 411.527 3.485 0 40 HGAB C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2C(=O)C[C@]2(C)[C@@H]1CC[C@@]21OCO[C@]12COCO2 9333900 XFMPZUDTDPMMJQ-KOJZCENHSA-N 402.487 3.141 0 40 HGAB C[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)Nc1cccc(Cl)c1 10041555 PFIBAHQEUXQFBM-JTQLQIEISA-N 417.712 3.408 0 40 HGAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(C)c(NS(C)(=O)=O)c1 10315251 SNNMYJHURWBOSU-CQSZACIVSA-N 403.504 3.147 0 40 HGAB O=C(OCC(=O)N1CCN(c2ccc(F)cc2)CC1)c1ccc(Br)cc1 11027169 SJFDMIWAYNYEIO-UHFFFAOYSA-N 421.266 3.094 0 40 HGAB O=S(=O)(CCSc1nnc(NC2CC2)s1)c1ccc(Br)cc1 11538891 PMAYGPPEODRRAL-UHFFFAOYSA-N 420.379 3.441 0 40 HGAB CO[C@@H]1CCC[C@H](C(=O)N2CCC(n3nc(-c4cccs4)ccc3=O)CC2)C1 12129346 QDUXROIHHVYKRZ-DOTOQJQBSA-N 401.532 3.341 0 40 HGAB O=C(N1CCC(n2nnc3ccccc3c2=O)CC1)C1(c2ccccc2)CCCC1 12184085 RHJCGHNKXFMPJK-UHFFFAOYSA-N 402.498 3.467 0 40 HGAB CCCn1nc(CC(=O)N2CCCC[C@@H]2CN2CCCCC2)c2ccccc2c1=O 12238147 BVOOQAGUBMAHTK-LJQANCHMSA-N 410.562 3.216 0 40 HGAB Cc1cnc(C(=O)N2CCC[C@@H](c3cc4nc(C)cc(C(F)(F)F)n4n3)C2)cn1 12257656 ZZXLNAUHUUJPMD-CYBMUJFWSA-N 404.396 3.175 0 40 HGAB C[C@H](Cc1cccs1)C(=O)N1CCC([C@@H]2C[C@H](C(F)F)n3ncnc3N2)CC1 12407899 RMWMXIFOFAMJRA-UHOFOFEASA-N 409.506 3.447 0 40 HGAB O=C(Nc1cccc(Br)c1)c1cc(Br)ccc1-n1cnnn1 12409658 MHZJYFLEMXHZQX-UHFFFAOYSA-N 423.068 3.440 0 40 HGAB COCCNC(=O)[C@H](OC(=O)c1nsc(Cl)c1Cl)c1ccccc1OC 12642974 MJFANZWCFIPOCL-CYBMUJFWSA-N 419.286 3.119 0 40 HGAB COc1ccc(CN2CCN(C(=O)Cc3ccc4c(c3)CCCC4)CC2)cc1OC 12688833 WGJACTCAOSQFAU-UHFFFAOYSA-N 408.542 3.470 0 40 HGAB O=C([C@H]1CCCN(c2nc(-c3ccccc3)nc3ccccc23)C1)N1CCOCC1 12776235 GSJGDGMOJZLUPG-IBGZPJMESA-N 402.498 3.372 0 40 HGAB CSc1nc(C)c(CCC(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c(C)n1 12808612 VXNRHIWBFGRWLB-LBPRGKRZSA-N 407.561 3.029 0 40 HGAB Cn1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3Cl)CC2)c1 12928458 CHXJEDKOKJACCU-UHFFFAOYSA-N 416.330 3.371 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)CN2CCCc3ccccc32)c1 13055899 RLWYJSLEMFQFBE-UHFFFAOYSA-N 415.559 3.417 0 40 HGAB Cc1cc(O)nc(-n2[nH]c3ncc4c(c3c2=O)C[C@H](c2cccc(Cl)c2)CC4=O)n1 13639691 DESIXLMXHVGCFY-LBPRGKRZSA-N 421.844 3.084 0 40 HGAB CCOC(=O)Nc1ccc2c(c1)nc(CCNC(=O)c1ccc(Cl)nc1)n2C 13690696 IMELURCIADRYEM-UHFFFAOYSA-N 401.854 3.163 0 40 HGAB COc1ccc(-c2cc(NC(=O)c3ccccc3)n([C@H]3CCS(=O)(=O)C3)n2)cc1 13736553 WTVVSAFEVXKEFD-KRWDZBQOSA-N 411.483 3.171 0 40 HGAB CCOc1ccccc1NC(=O)c1cccc(N2C(=O)C(C)(C)CS2(=O)=O)c1 15858663 NEWBKPITYLTDBA-UHFFFAOYSA-N 402.472 3.040 0 40 HGAB C[C@H](CCc1ccccc1)NC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccccc3)C[C@]23C=C[C@H]1O3 15894303 DOQJCMSPVWOHSQ-KNGJJONBSA-N 402.494 3.111 0 40 HGAB biogenic CCS(=O)(=O)N1CCCc2cc(NC(=O)c3c(OC)cccc3OC)ccc21 17316405 YETRITPNYQNRND-UHFFFAOYSA-N 404.488 3.058 0 40 HGAB CC(=O)N1CCc2cc(NCc3cn(CCN4CCOCC4)c4ccccc34)ccc21 19019244 CVQYZHRIEOBBFM-UHFFFAOYSA-N 418.541 3.495 0 40 HGAB Cc1nc(C)n(CC(=O)N[C@@H](CCc2ccccc2)c2ccc3c(c2)OCCO3)n1 19285772 DSNKBAWRHXLZOB-FQEVSTJZSA-N 406.486 3.156 0 40 HGAB Cn1cc(CCCC(=O)N2CC[C@H](c3nc(-c4ncccn4)no3)C2)c2ccccc21 19290433 QDGONMLXEPUNDT-KRWDZBQOSA-N 416.485 3.357 0 40 HGAB COc1ccc([C@@H]2CCCN2C(=O)CCc2nc(-c3ccccn3)no2)cc1OC 19560248 AFXQFWZTBVWXQS-KRWDZBQOSA-N 408.458 3.445 0 40 HGAB C[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCCN(C(=O)COc4cccnc4)C3)cc2N1 19574592 ZCJSRZJWINCLLN-CKEIUWERSA-N 423.439 3.371 0 40 HGAB Cc1n[nH]cc1C(=O)N1CCC[C@H](c2nc(N(C)C)ncc2-c2ccc(F)cc2)C1 19694783 ZDRZIOQYOLPPNW-INIZCTEOSA-N 408.481 3.400 0 40 HGAB Cc1ccccc1OC[C@@H](C)NC(=O)CN(c1ccc(C(C)C)cc1)S(C)(=O)=O 22330279 YTYJQCQKBYQTHK-GOSISDBHSA-N 418.559 3.468 0 40 HGAB COc1ccc(-c2noc(CN3CCN(C(=O)/C=C/c4ccccc4F)CC3)n2)cc1 22603992 UQESCPQOVMXQJD-DHZHZOJOSA-N 422.460 3.242 0 40 HGAB O=C(CN1CCOCC1)Nc1cc(-c2ccc3c(c2)CCC3)nn1-c1ccccc1 23695651 MLIPSHAKNPWZKQ-UHFFFAOYSA-N 402.498 3.299 0 40 HGAB C[C@H](c1nc(=O)c2ccccc2[nH]1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 23825130 LSICVTOCQUGVII-CYBMUJFWSA-N 403.408 3.220 0 40 HGAB Cc1cccn2c(=O)cc(CSc3nnc(N4CCCC4)n3Cc3ccco3)nc12 24109824 WRTMOWVYUYCXSV-UHFFFAOYSA-N 422.514 3.128 0 40 HGAB O=C1CCc2cc(C(=O)Nc3cc4c(cc3Br)OCCO4)ccc2N1 24946724 JTIBWFLDZHYTDP-UHFFFAOYSA-N 403.232 3.357 0 40 HGAB COc1cc(I)c(Cl)cc1C(=O)N[C@H](C)[C@@H]1CCCO1 27907154 ZHQUFHFOSMGGQA-PELKAZGASA-N 409.651 3.251 0 40 HGAB Cc1nccc(-c2cccc(NC(=O)c3ccc4c(c3)CCCN4S(C)(=O)=O)c2)n1 31801916 ODFGAOBVWDOJJL-UHFFFAOYSA-N 422.510 3.417 0 40 HGAB O=C(Nc1ccc(I)cc1)c1cn2c3c(cccc3c1=O)CC2 33088745 ZPPVIZDOMJLCNF-UHFFFAOYSA-N 416.218 3.415 0 40 HGAB O=C(N[C@H]1CCCc2ccccc21)C1CCN(c2nnnn2-c2ccccc2)CC1 35312055 JHJSHPXJUMOGNW-NRFANRHFSA-N 402.502 3.073 0 40 HGAB COC(=O)CN1C(=O)N/C(=C/c2ccccc2OCc2ccc3ccccc3c2)C1=O 35394872 NTECFAVCBPETRX-DEDYPNTBSA-N 416.433 3.485 0 40 HGAB CC[C@@H](CCNS(=O)(=O)c1cnn(C(F)F)c1C)n1ccc(C(F)(F)F)n1 36615127 JRMIXUJCDMDPAC-JTQLQIEISA-N 415.388 3.122 0 40 HGAB CCn1c(CNC(=O)CCCNC(=O)c2ccc(F)cc2F)nc2ccccc21 39519352 QBBXLUXTEKJECE-UHFFFAOYSA-N 400.429 3.161 0 40 HGAB CC(C)(C)OC(=O)NC1(CNC2=NS(=O)(=O)c3ccccc32)CCCCCC1 40118805 JUELFHRMMZWNQF-UHFFFAOYSA-N 407.536 3.343 0 40 HGAB Cc1ccc(Oc2ccccc2NC(=O)Cn2c(=O)c(=O)[nH]c3ccccc32)cc1 40134989 HRERRILQUHATIT-UHFFFAOYSA-N 401.422 3.429 0 40 HGAB Cc1ccc(CCCC(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)cc1 40140759 WKCABDVYSRXJTH-UHFFFAOYSA-N 422.497 3.129 0 40 HGAB COc1ccc(CCNC(=O)CN2CCc3c([nH]c4ccccc34)[C@H]2C)cc1OC 40154663 VXQZMDBCWVHQHC-MRXNPFEDSA-N 407.514 3.463 0 40 HGAB COC(=O)c1cc(NC(=O)N2CCc3[nH]cnc3[C@@H]2c2cccnc2)ccc1Cl 40286621 YCYGZBZYSCSREL-SFHVURJKSA-N 411.849 3.424 0 40 HGAB O=C(Cn1c(=O)oc2ccccc21)N1CCC[C@@H](c2nnc(-c3cccs3)o2)C1 44204304 VYPGQOFROPMKTB-CYBMUJFWSA-N 410.455 3.112 0 40 HGAB CCOc1ccc(S(=O)(=O)NC2CCN(Cc3ccc(F)c(F)c3)CC2)cc1 55649803 ADKJCTHVQQGXSA-UHFFFAOYSA-N 410.486 3.306 0 40 HGAB CCC(CC)[C@@H](CNC(=O)NCc1ccc(CN(CC)CC)cc1)N1CCOCC1 58175482 XHQKGUSRVDUFFO-HSZRJFAPSA-N 418.626 3.465 0 40 HGAB Cc1noc(-c2ccnc(-n3cnc(C(=O)N[C@@H](C)CCc4ccccc4)c3)c2)n1 71768379 LWXYADIMVPFAIK-HNNXBMFYSA-N 402.458 3.377 0 40 HGAB COc1ccc(C(=O)N[C@@H]2C[C@]3(CCC(=O)N(C)CC3)Oc3ccccc32)cc1OC 72327746 BGNVYNVRWZXQBH-HOYKHHGWSA-N 424.497 3.339 0 40 HGAB COc1cc(C)c(CN2CCN(c3ccccc3[C@H](O)c3nccn3C)CC2)cc1C 72340531 XYIGBZVLKTWJLO-DEOSSOPVSA-N 420.557 3.449 0 40 HGAB O=C(NC[C@@H]1CCCOC1)[C@H]1CN(Cc2ccccc2)C[C@@H]1C(=O)c1ccccc1 72373037 MIWZJOWBCINJRO-PMVMPFDFSA-N 406.526 3.160 0 40 HGAB CCN(CCN(C)CC(F)(F)F)C(=O)c1nnn(-c2ccc3ncccc3c2)c1C 79022890 NGLBZOXNVIJBOP-UHFFFAOYSA-N 420.439 3.080 0 40 HGAB NC(=O)c1cccc(Oc2ccc(NC(=O)Cn3cnc(Cl)c3Cl)cn2)c1 79479742 HFOZTVOPBGQAQD-UHFFFAOYSA-N 406.229 3.115 0 40 HGAB CCc1ccc(CN(CC(=O)Nc2cc(S(C)(=O)=O)ccc2F)C2CC2)cc1 83823654 PCIFVKZZVZAILT-UHFFFAOYSA-N 404.507 3.395 0 40 HGAB Cc1cc(NC(=O)[C@H](C)SCC(=O)N(Cc2cccs2)C[C@@H]2CCCO2)no1 84119769 VQDANHOWVDNWEJ-GJZGRUSLSA-N 423.560 3.313 0 40 HGAB COc1ccc([C@@H](C)NC(=O)N[C@@H](C)c2cccc(NS(C)(=O)=O)c2)cc1OC 89905255 ZMCWMEZTJPLSAN-UONOGXRCSA-N 421.519 3.197 0 40 HGAB C[C@H]1CN(Cc2csc(NC(=O)c3cccc(Br)n3)n2)C[C@@H](C)O1 89936712 TZPJOCNRPWAGMD-PHIMTYICSA-N 411.325 3.162 0 40 HGAB CCN(CC)CCCNC(=O)[C@@H]1c2c(ncn2C(C)C)CCN1Cc1ccccc1 96037538 XLAHITNAXYYABG-QHCPKHFHSA-N 411.594 3.412 0 40 HGAB CN1C[C@H]2C3(CCN(C(=O)Nc4ccc(Cl)cc4)CC3)CC[C@@]2(C(=O)N(C)C)C1 96262425 IZQAKPQCVHMBNW-PGRDOPGGSA-N 418.969 3.384 0 40 HGAB CC(=O)C1=NN(c2cccc(Cl)c2)[C@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@H]12 100746134 DQHHZDFTNOCULU-NVXWUHKLSA-N 402.237 3.317 0 40 HGAB CCOc1ccc2nc(N3CCCCC3)c(/C=C3/C(=O)NC(=S)N3C(C)=O)cc2c1 100771575 WFXQAIKMPZWKBH-UYRXBGFRSA-N 424.526 3.228 0 40 HGAB COC(=O)[C@H]1[C@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN21 104141766 BXXHLOUIOGUWCB-INDMIFKZSA-N 408.841 3.028 0 40 HGAB CC(=O)c1ccc(N2CCN(C(=O)CSC(=S)N3CCCC[C@@H]3C)CC2)cc1 215754926 CUNMAVGNZPWIPS-INIZCTEOSA-N 419.616 3.430 0 40 HGAB O=C(O)c1cc(S(=O)(=O)NC[C@@H]2CCCO2)ccc1NCCC1=CCCCC1 217631444 OQWIBLTWAMTBPL-INIZCTEOSA-N 408.520 3.145 0 40 HGAB CC[C@@H](NC(=O)CCN1C(=O)c2ccccc2S1(=O)=O)c1ccc(C)c(C)c1 219671459 DRURJUYFFHXYFW-GOSISDBHSA-N 400.500 3.106 0 40 HGAB COc1ccc(N(CCCC(=O)NCCSc2ccccc2)S(C)(=O)=O)cc1 222599577 VLKHWFMAVHASBE-UHFFFAOYSA-N 422.572 3.150 0 40 HGAB CCSc1nnc(NC(=O)[C@@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)s1 223307669 SQNPHGREMNCQQH-SECBINFHSA-N 420.969 3.097 0 40 HGAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1Cc1ccco1 223608604 JFKTZQOEEUMSTQ-NHCUHLMSSA-N 410.543 3.496 0 40 HGAB Cc1cc(C(=O)NCCCOC(C)C)ccc1N(C)S(=O)(=O)c1ccccc1 224195057 OCBAJEBSBUWWTD-UHFFFAOYSA-N 404.532 3.365 0 40 HGAB CCOCCCNC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1Cl 224232762 PBMHKTDLOPCDIK-UHFFFAOYSA-N 410.923 3.322 0 40 HGAB CC[C@H](C(=O)NCCOc1ccc(C)c(C)c1)N(c1ccccc1)S(C)(=O)=O 224299184 PIPKTDSJUHLKLO-HXUWFJFHSA-N 404.532 3.043 0 40 HGAB COc1cc2c(cc1S(=O)(=O)N1CCN(c3ccc(F)cc3)CC1)CCCC2 225675146 JCEBWQHBUHSAAU-UHFFFAOYSA-N 404.507 3.224 0 40 HGAB CCNC(=S)Nc1nc(Sc2ncccn2)cc(N2CCc3ccccc3C2)n1 225883191 JMARXPBQDBLNLU-UHFFFAOYSA-N 423.571 3.287 0 40 HGAB COc1ccc([C@H]2OCC[C@@]34C[C@@H](C[C@H]23)C(C)(C)[C@@H]4NC(=O)CCO)cc1OC 257201169 AGPMARYDLQBKJB-HJWLRSHASA-N 403.519 3.085 0 40 HGAB Cc1cc(C)n2nc(CC(=O)Nc3ccc(CC[C@@H]4CCN(C)C[C@H]4C)cc3)nc2n1 257207089 BGGZICMIEFPWTK-OXQOHEQNSA-N 420.561 3.443 0 40 HGAB C[C@@]12C[C@H](c3ccccc3)N(C(=O)CC3(O)CCCCC3)[C@@H]1CCC[C@@H](O)[C@@H]2O 257272003 NARVGZXDEYNFBS-VOUHSTLWSA-N 401.547 3.326 0 40 HGAB CCOc1cc(Cl)c(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)cc1OC 408552764 VCUVPKUJNXRLGN-CXUHLZMHSA-N 424.906 3.406 0 40 HGAB Cc1ccc(NC(=O)C(=O)Nn2c(CCC(=O)O)ccc2-c2ccc(C)cc2)cc1 408559691 BEJIGIMOSGCODF-UHFFFAOYSA-N 405.454 3.498 0 40 HGAB CCNS(=O)(=O)c1cc(C(=O)Nc2cc(Cl)ccc2OC)ccc1OCC 408697313 IVKLHPQUFYDVEC-UHFFFAOYSA-N 412.895 3.298 0 40 HGAB COc1cc(OC)c(/C=C2\NC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(OC)c1 408932780 ZFAZFBQELLJWDY-YBEGLDIGSA-N 402.834 3.459 0 40 HGAB Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C2\C(=O)Nc3ccccc32)C1=O 409165391 XQYZOSBBEKMHMS-VLGSPTGOSA-N 407.451 3.301 0 40 HGAB O=C(CSCC(=O)N[C@@H]1C[C@@H]1Cc1ccccc1)N[C@H]1C[C@@H]1Cc1ccccc1 534527745 QYUUSKJCZAPHFQ-MYGLTJDJSA-N 408.567 3.214 0 40 HGAB C[C@@H](c1cccnc1)N1CCN(Cc2cnc3ccc(Br)cn23)CC1 538739939 VQQSLAXCJFAKPE-HNNXBMFYSA-N 400.324 3.371 0 40 HGAB CO[C@H](CNC(=O)C(=O)Nc1cccc(N2CCCC2=O)c1)c1cc2ccccc2o1 585149239 KZVXOYHHRYWWIN-HXUWFJFHSA-N 421.453 3.002 0 40 HGAB CC(C)C[C@H]1COc2ccccc2C(=O)N(C)CCCCN1C(=O)c1ccnn1C 643564178 SKANTANMWYMRCJ-SFHVURJKSA-N 412.534 3.222 0 40 HGAB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(Br)cc2)n2nnnc2N1 703582 WZHITLSLJFKKRT-INIZCTEOSA-N 411.263 3.363 0 40 HGAB Fc1ccc(-c2csc(N3CCN(C(=S)NC[C@@H]4CCCO4)CC3)n2)cc1 1349349 SAUQYYHCZAJFPK-INIZCTEOSA-N 406.552 3.125 0 40 HGAB COc1cccc(-c2nnc(SCC(=O)Nc3cccc(C(F)(F)F)c3)n2N)c1 2233410 ZBKVPZZKQRKQON-UHFFFAOYSA-N 423.420 3.417 0 40 HGAB COC(=O)c1ccc(NC(=O)CSc2nncc3ccc(OC)c(OC)c23)cc1 2247035 BLHYKQNIPXYPPI-UHFFFAOYSA-N 413.455 3.164 0 40 HGAB COc1ccc(N(CCN2C(=O)c3ccccc3C2=O)C(=O)c2ccncc2)cc1 3182419 LFUKAQMWCLJPND-UHFFFAOYSA-N 401.422 3.033 0 40 HGAB O=C(COc1ccccc1C(=O)O[C@@H]1CCOC1=O)Nc1cccc(C(F)(F)F)c1 3395071 BSSBJDQVDRIFLQ-MRXNPFEDSA-N 423.343 3.195 0 40 HGAB CC(=O)Oc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=C3S[C@@H](C)C(=O)N32)cc1 3636558 CVLGSCGLPIWSSN-YVEFUNNKSA-N 402.472 3.212 0 40 HGAB CC(=O)OCC(=O)[C@@]1(O)[C@H](C)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 4073870 UREXXQAEJYMHKC-DDXOLEONSA-N 404.547 3.419 0 40 HGAB biogenic CCCCOc1ccc(NC(=O)[C@@H]2O[C@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@@H]32)cc1 4177255 BCTINLARZZWKRE-IPLXSBJHSA-N 421.490 3.201 0 40 HGAB O=S(=O)(Nc1cccc(-c2cn3c(n2)SCC3)c1)c1ccc2c(c1)OCCO2 4249106 UKWDGUUDCVSCEI-UHFFFAOYSA-N 415.496 3.228 0 40 HGAB CCCCOC(=O)[C@@H](C)OC(=O)OCCOCCOC(=O)OCC(CC)CC 4403560 ZARDWFRCSAPGGQ-OAHLLOKOSA-N 406.472 3.477 0 40 HGAB CCCc1nnc(SCC(=O)Nc2cc(OC)ccc2OC)n1-n1cccc1 4518553 CBGKVIHRWRTTFR-UHFFFAOYSA-N 401.492 3.092 0 40 HGAB COc1ccccc1NC(=O)[C@@H](Cc1ccccc1)N1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@@H]2C1=O 4554315 RBMCLHXVZKWHQE-SQBPBYRNSA-N 418.493 3.276 0 40 HGAB CCOC(=O)C1=C(COC(=O)c2c[nH]c3ccccc23)NC(=O)N[C@H]1c1ccccc1 5136572 LTJGMCULGZIBLL-FQEVSTJZSA-N 419.437 3.196 0 40 HGAB CSc1cccc(-c2nnc(NC(=O)c3cccc(N4C(=O)CCC4=O)c3)o2)c1 5240268 STZFBSOMEOCNDX-UHFFFAOYSA-N 408.439 3.364 0 40 HGAB Cc1ccc(-n2nc(C)c(NC(=O)COC(=O)c3n[nH]c4ccccc34)c2C)cc1 5360251 ZMMVWGYJHDNRNW-UHFFFAOYSA-N 403.442 3.469 0 40 HGAB Cc1c(NS(=O)(=O)c2ccccc2C(F)(F)F)c(=O)n(-c2ccccc2)n1C 6368683 IAOLZNSXENKYBE-UHFFFAOYSA-N 411.405 3.304 0 40 HGAB O=C(COc1ccc(Nc2ccccc2)cc1)NN1C(=O)NC2(CCCCC2)C1=O 6976290 NPFRGNLZCAAGNK-UHFFFAOYSA-N 408.458 3.095 0 40 HGAB COc1ccccc1CCNC(=O)CN1CCC[C@@H]1c1ccc2c(c1)OCCCO2 7684607 LTYZYMBOQRMZPG-HXUWFJFHSA-N 410.514 3.352 0 40 HGAB Cn1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCc4ccccc43)c2)n1 7696826 ONUURTAATRXZNQ-UHFFFAOYSA-N 416.890 3.077 0 40 HGAB CN(CCOc1ccccc1)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 7842297 AOLPLLRQOWKFLU-UHFFFAOYSA-N 422.934 3.276 0 40 HGAB C[C@H](CCc1ccco1)NC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1 8010927 ZTTMNJAGYHUGCS-OAHLLOKOSA-N 402.472 3.102 0 40 HGAB Cc1c(C)c(C)c(S(=O)(=O)N2CCN(C(=O)C[C@@H]3C=CCC3)CC2)c(C)c1C 8095623 BRPRYLMNBWXKDW-HXUWFJFHSA-N 404.576 3.418 0 40 HGAB COc1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccccc2Cl)c(OC)c1 8413817 PODKSPCMEFZGEU-UHFFFAOYSA-N 420.849 3.258 0 40 HGAB CCOc1cc(/C=c2\sc3nc4ccccc4n3c2=O)cc(Br)c1O 8653999 VUWJCUXIBOSWSZ-DHDCSXOGSA-N 417.284 3.324 0 40 HGAB Cn1c2c(c(=O)n(C)c1=O)[C@H](c1cccc3ccccc13)[C@@H]1C(=O)c3ccccc3C1=N2 8935185 NDPRFSHOADVYGZ-UXHICEINSA-N 421.456 3.316 0 40 HGAB O=C(CNS(=O)(=O)c1ccc(C2CCCCC2)cc1)NCCOc1ccccc1 9477905 JMHIZWOPUYSKFS-UHFFFAOYSA-N 416.543 3.208 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cccc(C)c3)C2)cc1C 9973995 XZCRABFPXOGADQ-KRWDZBQOSA-N 402.516 3.351 0 40 HGAB O=C(COC(=O)CCS(=O)(=O)c1ccc(Cl)cc1)Nc1ccc(Cl)cc1 10317700 YNESEKBTVZZYFY-UHFFFAOYSA-N 416.282 3.339 0 40 HGAB COc1ccccc1N(CC(F)(F)F)C(=O)COc1ccc(Cl)cc1C(N)=O 11267497 QPQYMXIIOXTYKI-UHFFFAOYSA-N 416.783 3.422 0 40 HGAB Cc1nc2c(c(C)nn2C)c(C)c1CCC(=O)N[C@@H](C)c1ccc(-n2cncn2)cc1 11605592 QZWSDLVQLWCFCO-HNNXBMFYSA-N 417.517 3.284 0 40 HGAB CC(C)(C)c1ccc(C(=O)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)cc1 12617315 JMSDUSREKNCPHL-UHFFFAOYSA-N 410.543 3.012 0 40 HGAB C[C@H](OC(=O)c1ccccc1OCc1ccc(Cl)cc1)C(=O)NC(=O)NC1CC1 12719890 OKJPOVCDOBYRHO-ZDUSSCGKSA-N 416.861 3.453 0 40 HGAB C[C@@H]1C[C@@H](C)CN(Cc2csc(NC(=O)CNC(=O)c3ccc(F)cc3)n2)C1 12783525 GTMFEWMMAKUFHE-ZIAGYGMSSA-N 404.511 3.129 0 40 HGAB Cc1nc(-c2ccc(NC(=O)c3ccc(CCNS(C)(=O)=O)cc3)cc2)cs1 12790307 STOIDSJZTBEACX-UHFFFAOYSA-N 415.540 3.463 0 40 HGAB COc1ccc(CN(C(=O)c2cc(C)c(C)c(S(=O)(=O)N(C)C)c2)C2CC2)cc1 12792830 CIZAGLFYZKPCTF-UHFFFAOYSA-N 416.543 3.367 0 40 HGAB CNC(=O)c1ccc(NC(=O)[C@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)cc1 12806083 NUFFKUTVPGVUDA-XOQVKLMPSA-N 409.530 3.192 0 40 HGAB COc1ccccc1CN(C)C(=O)C[S@@](=O)Cc1cccc(Br)c1 12876849 JSCYXTYWYOVBSX-XMMPIXPASA-N 410.333 3.365 0 40 HGAB O=C(c1ccc2ccccc2c1)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 12998697 PXPHFTHQULXYTM-UHFFFAOYSA-N 416.449 3.265 0 40 HGAB CCOc1ccc(CN(C)C(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCC4)cc1 13002325 NGOWSTOWDAHVBV-UHFFFAOYSA-N 411.527 3.463 0 40 HGAB CCN(CC)C(=O)C1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CC1 13678624 KCKFXFGLVPVTBC-UHFFFAOYSA-N 407.363 3.404 0 40 HGAB O=c1/c(=C/c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)sc2ncnn12 16741759 AWUQOKZUWMPXDS-YVLHZVERSA-N 405.870 3.205 0 40 HGAB COc1cccc(Nc2nc(N3CCOCC3)nc3c2cnn3-c2ccccc2)c1 16960509 KOGUUVZZECJKOI-UHFFFAOYSA-N 402.458 3.404 0 40 HGAB Cc1ccc(N2CCCC2=O)cc1S(=O)(=O)N1CCCCC[C@H]1c1cnn(C)c1 19214658 JEKWFSVMGCCAAY-IBGZPJMESA-N 416.547 3.161 0 40 HGAB Cc1ccc(-c2cc(N)c(=O)n(CC(=O)Nc3cccc(OC(F)(F)F)c3)n2)s1 19217503 WEVQUCZUABPVFW-UHFFFAOYSA-N 424.404 3.400 0 40 HGAB Cc1cc2nc(CCNC(=O)CCn3c(=O)oc4cc(Cl)ccc43)[nH]c2cc1C 19661433 FOTFTXBATZILJF-UHFFFAOYSA-N 412.877 3.490 0 40 HGAB Cc1cn2c(=O)c(C(=O)Nc3nnc([C@@H](C)Oc4ccccc4)s3)cnc2s1 19717146 FEGNBAGFZLBFOA-LLVKDONJSA-N 413.484 3.308 0 40 HGAB CN(C)C(=O)c1cc([C@H]2CCN(S(=O)(=O)Cc3ccccc3)C2)nc2ccccc12 19761047 UDBARTARAMWICY-SFHVURJKSA-N 423.538 3.256 0 40 HGAB CCOc1ccc(N(CC(=O)N[C@H](CC)c2ccc(C)cc2)S(C)(=O)=O)cc1 20044775 ZLDCFGWQJGUNMR-HXUWFJFHSA-N 404.532 3.427 0 40 HGAB COc1ccc(CCNC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)cc1 20061494 KKOORAUXXVSMPL-UHFFFAOYSA-N 416.543 3.151 0 40 HGAB CC(=O)c1ccc(NC(=O)Cn2c(=O)cc(C(=O)N3CCCC3)c3ccccc32)cc1 20310850 BUTHWACKMCZLCZ-UHFFFAOYSA-N 417.465 3.079 0 40 HGAB C[C@H](O)CNc1ncnc2c1sc1nc(N3CCCC3)c3c(c12)CC(C)(C)OC3 20392501 RDLZRRXYPQREJX-LBPRGKRZSA-N 413.547 3.484 0 40 HGAB C[C@@H](OC(=O)c1csc(-c2ccsc2)n1)C(=O)Nc1sccc1C(N)=O 21998763 LUZDOXGKYNXHLK-MRVPVSSYSA-N 407.498 3.216 0 40 HGAB CCOc1ccc(-c2noc(Cn3c(=O)n(CC(C)C)c(=O)c4ccccc43)n2)cc1 23126757 JXXURJHTGCLYJI-UHFFFAOYSA-N 420.469 3.316 0 40 HGAB Cn1cnnc1Sc1nc(CN2CCOCC2)nc2scc(-c3ccccc3)c12 23409171 SUSRXVODZRESDD-UHFFFAOYSA-N 424.555 3.470 0 40 HGAB Cn1c(SCC(=O)Nc2cccc(Br)c2)nc2ccsc2c1=O 26099194 ZOGUOCLYRKNHKL-UHFFFAOYSA-N 410.318 3.488 0 40 HGAB O=C(Nc1ccc(Oc2ccccc2)cc1)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1 29512184 VJNGAZATSLEGRJ-UHFFFAOYSA-N 414.421 3.464 0 40 HGAB Cc1noc(C)c1S(=O)(=O)N1CCN(Cc2c(Cl)cccc2Cl)CC1 29717994 BIAKBYCMODCMRI-UHFFFAOYSA-N 404.319 3.105 0 40 HGAB C[C@H](NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)C(=O)Nc1ccc(Cl)cc1Cl 32096328 CDLAGQKKDDKSKQ-STQMWFEESA-N 420.296 3.490 0 40 HGAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccc(Cl)cc2)cc1Cl 32440434 GHQWQIGSKBVZSC-JTQLQIEISA-N 403.287 3.308 0 40 HGAB Cc1cc(C(=O)OCCCOC(=O)c2cc(C)nc3onc(C)c23)c2c(C)noc2n1 32869399 QMKMXTRUAIWYSH-UHFFFAOYSA-N 424.413 3.397 0 40 HGAB CC(=O)N1CCc2cc(C(=O)[C@@H](C)OC(=O)c3cc(C)nc4onc(C)c34)ccc21 32869403 XBXROWZOAVMJHU-CYBMUJFWSA-N 407.426 3.177 0 40 HGAB CC1CCN(Cc2ccc(-c3nnn(CC(=O)Nc4ccccc4F)n3)cc2)CC1 35290083 RSENWVVNUSLBIF-UHFFFAOYSA-N 408.481 3.350 0 40 HGAB CCC(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1cc2cc(OC)ccc2[nH]c1=O 35313414 JZSQYDGDTHJJEX-HSZRJFAPSA-N 422.481 3.438 0 40 HGAB CCOc1ccc(C(=O)C2CCN(Cc3nnnn3Cc3cccs3)CC2)cc1 35314510 KLLWLJRPHHEFGY-UHFFFAOYSA-N 411.531 3.277 0 40 HGAB CCOc1ccccc1NC(=O)N1CCC2(CC1)N=C(c1cccc(F)c1)C(=O)N2 35432326 LPRRJKXXJDHBRG-UHFFFAOYSA-N 410.449 3.168 0 40 HGAB COc1ccc(OC)c([C@H](C)NC(=O)C2CCN(C(=O)NCc3ccco3)CC2)c1 40131382 QLRLPKHZMOOCLI-HNNXBMFYSA-N 415.490 3.096 0 40 HGAB O=C(CSc1ccc2c(c1)CCC2)N1CCN(C(=O)c2ccc3[nH]cnc3c2)CC1 40158577 ILPIUCVYTNZTFJ-UHFFFAOYSA-N 420.538 3.128 0 40 HGAB O=C1C[C@]2(CC(c3ccccc3F)=NO2)C(=O)N1c1ccc(Br)cc1 40283122 CWZHXJQSRZNOSO-GOSISDBHSA-N 403.207 3.415 0 40 HGAB Cc1nc(NC(=O)CCC(=O)N2CCN(c3cccc(Cl)c3)CC2)sc1C 40285867 CGEYBFVEMBIWCY-UHFFFAOYSA-N 406.939 3.481 0 40 HGAB COc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccc(NC(C)=O)cc1 40486266 OIRIUNLVERQMBX-HXUWFJFHSA-N 418.457 3.173 0 40 HGAB CCSc1nnc(NC(=O)c2nnn(-c3nc4c(s3)CCCC4)c2C)s1 49032476 LYLKQBWCVXKWLV-UHFFFAOYSA-N 407.550 3.127 0 40 HGAB O=C(CN1CCN(C(=O)/C=C/c2ccccc2F)CC1)Nc1ccccc1Cl 57449816 MIAGTZGAKPUEHT-MDZDMXLPSA-N 401.869 3.275 0 40 HGAB Cc1ccccc1OCCNC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C 59823767 DFKITZFCWYIQAE-UHFFFAOYSA-N 416.543 3.287 0 40 HGAB CCOC(=O)c1ccccc1OS(=O)(=O)c1ccc(N2CCCC2=O)cc1C 60127398 NDKIJTSNUCCYNE-UHFFFAOYSA-N 403.456 3.066 0 40 HGAB CC(C)(C)c1ccc(C(=O)N2CCN(c3ccc(N)cc3-n3cnnc3)CC2)cc1 70461831 DBDOLVDVDDOQJP-UHFFFAOYSA-N 404.518 3.109 0 40 HGAB O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CN(S(=O)(=O)C2CC2)C1 70838563 XPVLEYMVLQIYHZ-UHFFFAOYSA-N 416.343 3.087 0 40 HGAB O=C(NCC1CCN(c2ccncc2)CC1)C(=O)Nc1cccc(C(F)(F)F)c1 70896194 AQWMOPCKXZNYPW-UHFFFAOYSA-N 406.408 3.072 0 40 HGAB COc1ccccc1CNC(=O)c1cn(-c2cc(-c3nc(C(C)C)no3)ccn2)cn1 71768488 HVSULXOYHZEQRG-UHFFFAOYSA-N 418.457 3.379 0 40 HGAB CCN(C(=O)Nc1cc(C(F)(F)F)ccc1N(C)C)[C@H](C)CS(=O)(=O)CC 72282516 ZGUGSTDFOFCWOU-GFCCVEGCSA-N 409.474 3.448 0 40 HGAB CN(C)c1cc(CNC(=O)C[C@@H]2Sc3ccccc3NC2=O)c2ccccc2n1 72304642 IALKHTQRVYVSGS-IBGZPJMESA-N 406.511 3.420 0 40 HGAB O=C(c1ccncc1)N1CC[C@H](c2c(C(=O)N3CCOCC3)sc3ccccc23)C1 72356093 SYUZCLYUULQZGF-KRWDZBQOSA-N 421.522 3.398 0 40 HGAB C[C@H](Oc1ccc(F)cc1)C(=O)N1CCC([C@@H]2C[C@H](C(F)F)n3ncnc3N2)CC1 72395670 VJOWUDAKRMSJHN-AFAVFJNCSA-N 423.439 3.114 0 40 HGAB COCCn1ccc2c(NC(=O)Cn3cc(-c4ccccc4)ncc3=O)cccc21 72405887 UTCPSVGSBOKCNI-UHFFFAOYSA-N 402.454 3.150 0 40 HGAB Cc1nnc(C2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)s1 77099439 WKYIPPCNMYTDPN-UHFFFAOYSA-N 408.368 3.239 0 40 HGAB COc1ccc(OC)c(-c2cc(C(=O)N3CCO[C@@H](c4ccccc4)C3)n(C)n2)c1 77200740 SZEXADBBAGHZQM-JOCHJYFZSA-N 407.470 3.318 0 40 HGAB COc1cc(CCC(=O)N(Cc2ccco2)C[C@@H]2CCCO2)cc(OC)c1OC 78698688 UXFJCUQDIYJQAM-SFHVURJKSA-N 403.475 3.446 0 40 HGAB Cc1cc(C)cc(OCCC(=O)Nc2cc(C3CC3)nn2[C@@H]2CCS(=O)(=O)C2)c1 78870182 PYHZJDCZYWZTFH-QGZVFWFLSA-N 417.531 3.145 0 40 HGAB COc1ccc2oc(C)c(C(=O)NCCN3CCN(c4ccc(F)cc4)CC3)c2c1 78960966 MNDNNOJSLGTWNA-UHFFFAOYSA-N 411.477 3.441 0 40 HGAB O=C(c1ccc(Cl)cc1O)N1CCN(Cc2nc(-c3cccs3)no2)CC1 89800080 GSHARKGDHOUCDG-UHFFFAOYSA-N 404.879 3.115 0 40 HGAB C[C@H](OC[C@H]1CCCCO1)C(=O)Nc1cc2c(cc1Br)OCCO2 95377661 HTFXSKYDGSLXEM-NWDGAFQWSA-N 400.269 3.133 0 40 HGAB Brc1ccc2c(I)nn([C@@H]3CCCCO3)c2n1 95631021 UBBUPTPKYKJAFY-VIFPVBQESA-N 408.037 3.498 0 40 HGAB COC(=O)C[C@@H](c1ccc(O)c(OC)c1)c1c(O)n[nH]c1Cc1ccc2c(c1)CCO2 96222545 BYEPZXWEQAHUCF-INIZCTEOSA-N 424.453 3.050 0 40 HGAB biogenic Cc1nc(-c2ccc(CCNC(=O)[C@H](C)N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)cc2)cs1 101427335 QWJZYRHKBOYDGS-JVPBZIDWSA-N 423.538 3.117 0 40 HGAB CC[C@H](C)Nc1ccc(C(=O)O)cc1S(=O)(=O)NCCc1ccc(OC)cc1 217485317 HEXOHPMCJDVMFF-AWEZNQCLSA-N 406.504 3.125 0 40 HGAB CC[C@@H](C(=O)N[C@@H](C)COc1ccccc1C)N(c1ccccc1F)S(C)(=O)=O 220605383 YOHHQOSMNGDNBD-WMZOPIPTSA-N 422.522 3.262 0 40 HGAB O=C(COc1ccccc1F)NCc1nc(-c2cccc(Br)c2)no1 222779270 BFCJGXIRCQIDPN-UHFFFAOYSA-N 406.211 3.333 0 40 HGAB CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N[C@@H]1CCCc2ccccc21 223147085 BTRRZJCGLFDABD-NHCUHLMSSA-N 416.543 3.434 0 40 HGAB COC(=O)c1ccc(Cl)c(NS(=O)(=O)c2cc(C(=O)OC)ccc2Cl)c1 223841830 LWXHHZBTHXOFIQ-UHFFFAOYSA-N 418.254 3.367 0 40 HGAB CCC(=O)Nc1nnc(S(=O)(=O)N[C@H](c2ccccc2)c2cccc(C)c2)s1 223874104 HQMKKSBPSVMTSZ-QGZVFWFLSA-N 416.528 3.263 0 40 HGAB CCOC(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccc(OCC)cc1 224592931 HLDJQEHIEVSRBP-UHFFFAOYSA-N 407.488 3.161 0 40 HGAB CCN(CC(=O)NCc1cccc2ccccc12)S(=O)(=O)c1ccc(F)cc1 226056168 FIFFHKVJAHQCFM-UHFFFAOYSA-N 400.475 3.306 0 40 HGAB C[C@@H](Oc1nn(-c2ccccc2)cc1Br)C(=O)NCc1cccnc1 227153368 AYZWKWCVBRQLIN-CYBMUJFWSA-N 401.264 3.114 0 40 HGAB CCOC(=O)[C@]1(CN)[C@H](c2ccc(CC)cc2)[C@H]1S(=O)(=O)c1ccc(C)cc1 242473213 FCGSADDHOIRCQG-KCZVDYSFSA-N 401.528 3.005 0 40 HGAB COc1cc([C@H]2OCC[C@@]34C[C@@H](C[C@H]23)C(C)(C)[C@@H]4NC(=O)CCO)c(Cl)cc1O 257312469 UOBWYDRUNZZHGN-QOTKGCACSA-N 423.937 3.435 0 40 HGAB COc1ccc(Cl)cc1S(=O)(=O)N[C@H](C)C(=O)Nc1ccc(Cl)cc1 408601420 AVYLYDALAOAYBT-SNVBAGLBSA-N 403.287 3.308 0 40 HGAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cc(Cl)ccc2OC)cc1 408602177 IDJNWSDGJPMYJD-LBPRGKRZSA-N 412.895 3.053 0 40 HGAB COc1ccc(CC(=O)N2N=C3CC[C@H](C)C[C@@H]3[C@@]2(O)C(F)(F)F)cc1OC 409054825 BSNCGDZTTLNSFR-RRUGBERISA-N 400.397 3.132 0 40 HGAB CCN1CCO[C@@H](CN[C@H](C(=O)Nc2ccc(OC)c(Cl)c2)c2ccccc2)C1 602589769 FWQFIVXWFADHHN-RXVVDRJESA-N 417.937 3.339 0 40 HGAB CCN1CCCCN(C(=O)CN(C)C)[C@@H](CC(C)C)COc2ccccc2C1=O 643582994 YHQODQPHEGYDPY-IBGZPJMESA-N 403.567 3.126 0 40 HGAB CCc1ccc(C(=O)N2CCC3(CC2)C[C@H](COC)N(Cc2cccnc2)C3)cn1 1565548137 TTWVYCGIUKZRHT-JOCHJYFZSA-N 408.546 3.182 0 40 HGAB Cc1ccc(-n2c(-c3ccc(Cl)cc3)cn3c4c(=O)n(C)c(=O)n(C)c4nc23)cc1 717012 XVMFUSSEQSSJPF-UHFFFAOYSA-N 419.872 3.304 0 40 HGAB biogenic O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1nc2ccccc2s1 1771867 PCRJMPUAWBKPQM-UHFFFAOYSA-N 411.468 3.139 0 40 HGAB COc1ccc(-c2nnc(SCC(=O)Nc3ccc(C)c(C)c3)n2N)cc1OC 2361010 WGKZLUNCLOUJKB-UHFFFAOYSA-N 413.503 3.024 0 40 HGAB O=C1S/C(=C/c2ccccc2)C(=O)N1CCNS(=O)(=O)c1ccc(Cl)cc1 2364468 CTURNTGMQHVQSY-FOWTUZBSSA-N 422.915 3.355 0 40 HGAB CCN(CC)C(=O)c1sc(NC(=O)[C@H]2CCCC[C@H]2C(=O)O)c(C(=O)OC)c1C 2767189 HRCJAIVIUFVPCU-QWHCGFSZSA-N 424.519 3.155 0 40 HGAB CC(C)[C@H]1N=C2c3ccccc3N=C(SCC(=O)NCCc3ccccc3)N2C1=O 2965455 FJIPXQSJUZBWBA-HXUWFJFHSA-N 420.538 3.393 0 40 HGAB CCc1cccc(CC)c1NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 3473926 RDWWPUSIKGOOCD-UHFFFAOYSA-N 402.516 3.085 0 40 HGAB O=C(COC(=O)C[C@@H]1Sc2ccccc2NC1=O)N[C@H]1CCCc2ccccc21 3504604 UBONZWRHXYWMSI-LPHOPBHVSA-N 410.495 3.227 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)cc1 3564341 SAYAAGLVDQOLRI-UHFFFAOYSA-N 420.915 3.310 0 40 HGAB O=C(CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O)Nc1ccc(F)c(Cl)c1 4468881 VMOPRANTSMRQRD-FQEVSTJZSA-N 401.825 3.201 0 40 HGAB Cn1c(SCN2C(=O)c3ccccc3C2=O)nc2sc3c(c2c1=O)CCCC3 4469151 YMHQPBKNKQKYJH-UHFFFAOYSA-N 411.508 3.220 0 40 HGAB C[C@@H](Sc1nnc(Cc2ccccc2)n1C)C(=O)NC(=O)NC1CCCCC1 4800406 LOYOCOXSHNWNKJ-CQSZACIVSA-N 401.536 3.045 0 40 HGAB CC[C@H]1CCCCN1C(=O)Cn1c(=O)n(-c2ccc(C)cc2)c(=O)c2ccccc21 4904911 FYKGBJAAPKPHLR-SFHVURJKSA-N 405.498 3.252 0 40 HGAB Cc1ccc(SCCNC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)cc1 5007835 PKZVZBASZDKORE-UHFFFAOYSA-N 412.964 3.323 0 40 HGAB CC[C@@]1(c2ccc(OC)cc2)NC(=O)N(CC(=O)Nc2ccccc2Cl)C1=O 5264117 PKBQJJWNWKHDQX-FQEVSTJZSA-N 401.850 3.144 0 40 HGAB COc1ccc(Br)c(C(=O)N2CCN(C(=O)c3ccccc3)CC2)c1 5422377 FHUFIIQTIGEMNE-UHFFFAOYSA-N 403.276 3.056 0 40 HGAB c1ccc(CCCN[C@H]2CO[C@@H]3[C@@H](Nc4nccc(-c5cccs5)n4)CO[C@H]23)cc1 5433883 HXCCPCJQOBQIOD-SEIRJHJZSA-N 422.554 3.374 0 40 HGAB biogenic,in-vitro Cc1cc(C)n2nc(C(=O)OCC(=O)N(C3CCCCC3)C3CCCCC3)nc2n1 6566586 ASPYMGYUUHBYIB-UHFFFAOYSA-N 413.522 3.392 0 40 HGAB COC(=O)c1sc(NC(=O)CN2c3ccccc3C[C@H]2C)c(C(=O)OC)c1C 6832199 YJLHVMOKXQLROO-LLVKDONJSA-N 402.472 3.019 0 40 HGAB Cn1c(SCC(=O)c2ccc(CC(=O)N3CCOCC3)s2)nc2ccccc21 7138445 HDAVKXVOAKBLBW-UHFFFAOYSA-N 415.540 3.011 0 40 HGAB COc1cccc(OC)c1C(=O)Nc1cccc(-n2c(C)nc3ncccc3c2=O)c1 7509176 JFBMKLGTWDMKLE-UHFFFAOYSA-N 416.437 3.359 0 40 HGAB CC(=O)c1cccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3C)C2)c1 8039124 VKFRSPRPMAHJCX-SFHVURJKSA-N 408.454 3.041 0 40 HGAB Cc1ccc(S(=O)(=O)CCC(=O)OCC(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)cc1 8340885 YPBLTGRQNYJRRV-VGOFRKELSA-N 421.559 3.129 0 40 HGAB Cc1ccc(-n2nc(C(=O)NCCO)nc2-c2ccc(Br)cc2)cc1C 8476977 RGVXDJKLELKZHC-UHFFFAOYSA-N 415.291 3.036 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(SCc2nc(-c3ccccc3)no2)nc1 8529350 UAOOCWGEJUIJAP-UHFFFAOYSA-N 404.517 3.454 0 40 HGAB COC(=O)c1ccc(NC(=O)CSc2nnc(COc3ccccc3C)o2)cc1 8571641 ADTIQUMUQYLWDI-UHFFFAOYSA-N 413.455 3.474 0 40 HGAB CC(C)NC(=O)NC(=O)CSc1nc2ccccc2c(=O)n1[C@@H](C)c1ccccc1 8852935 WWCZNLACAKESLS-HNNXBMFYSA-N 424.526 3.332 0 40 HGAB O=C(CSc1nnc(-c2cccnc2)n1C1CC1)c1c[nH]c(C(=O)N2CCCC2)c1 9337237 CBAWIPSDCQRHOZ-UHFFFAOYSA-N 422.514 3.214 0 40 HGAB CC(C)C[C@H]1NC(=O)N(CC(=O)NCCC(c2ccccc2)c2ccccc2)C1=O 9537242 GFJWNQXILZWESH-OAQYLSRUSA-N 407.514 3.291 0 40 HGAB Cc1ccc(CN(C)CC(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)o1 9581705 BTEOLXDCZQYQCF-UHFFFAOYSA-N 419.547 3.223 0 40 HGAB CC(C)NC(=O)CCc1nnc2n(Cc3ccc(Cl)cc3)c(=O)c3ccccc3n12 9831476 XDTXNERQGHWLEF-UHFFFAOYSA-N 423.904 3.203 0 40 HGAB CCOc1ccc(CC(=O)NCCn2nc(-c3ccc(Cl)cc3)ccc2=O)cc1 9844223 WEKWXHZOUWCURR-UHFFFAOYSA-N 411.889 3.321 0 40 HGAB CNS(=O)(=O)c1cccc(C(=O)OCc2csc(-c3ccc(OC)cc3)n2)c1 9948919 WVRCMCZKTHOLCE-UHFFFAOYSA-N 418.496 3.084 0 40 HGAB COc1cn(CC(=O)Nc2ccc(C)cc2)c(CSc2nccc(C)n2)cc1=O 10254960 HEWLZZYUKQPOPM-UHFFFAOYSA-N 410.499 3.195 0 40 HGAB Cn1cccc1[C@@H](CNC(=O)C(=O)NCCC1=CCCCC1)N1CCCCCC1 11898757 KJONXLNYNFZYMQ-OAQYLSRUSA-N 400.567 3.065 0 40 HGAB CCOc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCO)cc1OC 12111609 IYVWQMYIVYLXJA-FQEVSTJZSA-N 409.438 3.046 0 40 HGAB Cc1nc(NC2CCN(C(=O)C(C)(C)c3ccc(Cl)cc3)CC2)[nH]c(=O)c1C 12113682 GAMNIWNHTNDVTR-UHFFFAOYSA-N 402.926 3.421 0 40 HGAB COc1ccc(CNC(=O)CNC(=O)c2ccc3nc(-n4cccc4)sc3c2)cc1 12390622 MRPWTXYFCQKZKA-UHFFFAOYSA-N 420.494 3.142 0 40 HGAB COc1ccc(NS(=O)(=O)c2ccc(O)c(NC(=O)c3cccc(C)n3)c2)cc1 12521151 YAIXJOPAXASFFG-UHFFFAOYSA-N 413.455 3.157 0 40 HGAB NC(=O)CCN(C(=O)CSc1ccc(C(F)(F)F)cn1)c1ccc(F)cc1 12526782 FTHTYHLPBXZACC-UHFFFAOYSA-N 401.385 3.240 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)N[C@@H](C)C2CC2)c1 12557761 CSLWIXGPYGAZKY-INIZCTEOSA-N 407.580 3.236 0 40 HGAB O=S(=O)(Nc1ccc(N2CCCS2(=O)=O)cc1)c1cccc(C(F)(F)F)c1 12604587 DJJRVWWDVMRUAN-UHFFFAOYSA-N 420.434 3.046 0 40 HGAB COC(=O)[C@@H](c1ccccc1Cl)N1CCN(C(=O)CCc2ccccc2)CC1 12738045 SMPVZUDXSNRQOW-OAQYLSRUSA-N 400.906 3.331 0 40 HGAB Cc1nc2sc(C(=O)O[C@H](C)C(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)c(C)c2c(=O)[nH]1 12782463 PIIVBFTXKBFOLH-UZWIWUQPSA-N 405.520 3.088 0 40 HGAB CC(=O)N1CCN(C(=O)[C@H](Nc2ccc(C(F)(F)F)cc2Cl)C(C)C)CC1 12904731 IGDJXGBELSCZBT-MRXNPFEDSA-N 405.848 3.486 0 40 HGAB CCOC(=O)N1CCC(NC(=O)c2cc(-c3ccccc3)nc3c2c(C)nn3C)CC1 13005469 STDKPZPVUPISLM-UHFFFAOYSA-N 421.501 3.294 0 40 HGAB CCOC(=O)c1sc(NC(=O)CS[C@H](C)C(=O)Nc2cc(C)on2)cc1C 13008138 LNFKZGAZVCFNLT-LLVKDONJSA-N 411.505 3.229 0 40 HGAB CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)c(OC)c(OC)c2)n2nc(C)nc2N1 13570010 LTCUSWQIYQCWNV-GOSISDBHSA-N 416.478 3.245 0 40 HGAB CCOc1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)cc1 13676063 CHYXACOAUGDTPT-UHFFFAOYSA-N 422.934 3.453 0 40 HGAB C[C@H]1CCc2c(C(=O)N3CCN(S(=O)(=O)c4ccccc4F)CC3)csc2C1 14694317 UITSLODQDBVQKG-AWEZNQCLSA-N 422.547 3.159 0 40 HGAB Cc1cc(S(=O)(=O)N2CCN(c3ccccc3F)CC2)ccc1Br 16090533 CNTGCIVJCFZQOS-UHFFFAOYSA-N 413.312 3.408 0 40 HGAB O=C(CCc1csc(NC(=O)c2ccc[nH]c2=O)n1)NCCC1=CCCCC1 16851205 YXWNAUMCNHEMKR-UHFFFAOYSA-N 400.504 3.023 0 40 HGAB COc1ccc(CCN2CN=C(Nc3nc(C)c4cccc(C)c4n3)NC2)cc1OC 19332211 JBOODUOTCLLCOQ-UHFFFAOYSA-N 420.517 3.095 0 40 HGAB COc1ccc2[nH]c(CN3CCc4c(nc(-c5ccccn5)[nH]c4=O)C3)c(C)c2c1 19565503 WSLKIXNEMRVIFK-UHFFFAOYSA-N 401.470 3.189 0 40 HGAB COc1ccc(-c2cc3nc([C@H](C)NC(=O)COc4ccccc4F)nn3cn2)cc1 19574434 BLRHFNAUIXCUST-AWEZNQCLSA-N 421.432 3.195 0 40 HGAB CNC(=O)[C@]1(Cc2ccc(-c3ccccc3OC)cc2)CCN(C(=O)[C@@H]2CCCO2)C1 19591403 KHZXJOXKBSPEFF-DHLKQENFSA-N 422.525 3.048 0 40 HGAB COCCC(=O)N1CCCC[C@H]1c1nc(C)c2c(n1)N(Cc1ccccc1)C(=O)CC2 19701148 LCNMFMHDTXTPKG-FQEVSTJZSA-N 422.529 3.355 0 40 HGAB Cc1nc([C@@H]2CCCN(C(=O)c3[nH]nc4c3CCCCC4)C2)nc2c1CCCN2C 19707013 MHGKVMZZPUESSK-MRXNPFEDSA-N 408.550 3.179 0 40 HGAB Cc1nc2ccccc2c(=O)n1CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 19715242 NUPFCFJELFIWJX-HXUWFJFHSA-N 419.481 3.230 0 40 HGAB CC(=O)c1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccccc3C)C2)c1 19858158 ZIWOPCFYBYDZMG-LJQANCHMSA-N 414.527 3.378 0 40 HGAB COc1ccc(CN2CCN(C(=O)COc3ccc(Br)cc3)CC2)cc1 19889415 CNWCNCBQRJXTAO-UHFFFAOYSA-N 419.319 3.181 0 40 HGAB C[C@]1(C(=O)N2CCc3cc(S(=O)(=O)N4CCCCC4)ccc32)CC1(Cl)Cl 22192030 DFDJWQBGLZTZNM-QGZVFWFLSA-N 417.358 3.334 0 40 HGAB O=C1CN(C(=O)CNc2ccccc2C(=O)Nc2ccccc2)c2ccccc2N1 24829536 ZMXJRABTSQDHNI-UHFFFAOYSA-N 400.438 3.336 0 40 HGAB CN(C)[C@H](CNC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCC3)c1ccsc1 25328878 YCUDPMPNNWOAER-LJQANCHMSA-N 410.543 3.217 0 40 HGAB CCCCOC(=O)c1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(F)cc2)cc1 27758646 JIGXVGSZQMLEBQ-AWEZNQCLSA-N 422.478 3.088 0 40 HGAB Cc1noc([C@H](C)N2CCN(S(=O)(=O)c3ccc(C4CCCCC4)cc3)CC2)n1 27817665 QEGXREMAVLEXID-INIZCTEOSA-N 418.563 3.493 0 40 HGAB NC(=O)c1ccc(CN(C(=O)c2ccccc2I)C2CC2)cc1 30248451 RTUBSPARTVIJJN-UHFFFAOYSA-N 420.250 3.195 0 40 HGAB C/C=C/c1ccc(OCC(=O)Nc2ccccc2-n2cc(C(=O)OC)nn2)c(OC)c1 31646727 MRJSWDYNOPAUBN-QPJJXVBHSA-N 422.441 3.113 0 40 HGAB COc1c(C)cnc(CN2CCN([C@H](C(=O)O)c3c[nH]c4ccc(C)cc34)CC2)c1C 31809658 WSKUZRUFSNHTNW-QFIPXVFZSA-N 422.529 3.440 0 40 HGAB c1ccc(-c2nnc3n2[C@H](CSc2nnnn2Cc2cccs2)CS3)cc1 32777233 GXSFQPWEYOWBHQ-CYBMUJFWSA-N 413.557 3.481 0 40 HGAB CNS(=O)(=O)c1ccc(CNC(=O)c2cccc(OCc3cccs3)c2)cc1 32914484 CZHBPOLPFBGBRV-UHFFFAOYSA-N 416.524 3.165 0 40 HGAB Cc1ccc(-c2cc(C(=O)N3CCC(C)CC3)nn2[C@H]2CCS(=O)(=O)C2)cc1C 33325684 DVOCMFFRXWZJFR-IBGZPJMESA-N 415.559 3.399 0 40 HGAB COc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)cc3F)C2=O)cc1O 33475039 JMPHRYDEHPGHSJ-FRKPEAEDSA-N 420.393 3.354 0 40 HGAB CCc1ccc2c(c1)c1nnc(SCC(=O)NCc3ccc(OC)cc3)nc1n2C 35312661 CUYZSRGLRLRWID-UHFFFAOYSA-N 421.526 3.496 0 40 HGAB O=C(Nc1nnc(SCCN2CCOCC2)s1)C12CC3CC(CC(C3)C1)C2 35316103 WLPXSVLEQBGPKD-UHFFFAOYSA-N 408.593 3.117 0 40 HGAB COc1cccc(N2CCN(CC(=O)Nc3nc4ccc(OC)cc4s3)CC2)c1 35826258 MAIXYIGSRJRSLW-UHFFFAOYSA-N 412.515 3.074 0 40 HGAB Cc1nn(C(F)F)cc1S(=O)(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 36614972 FQNLVMNVLPIYDQ-UHFFFAOYSA-N 424.395 3.116 0 40 HGAB Cc1ccc(CN2CCC(C(=O)NCc3cccc(CN4CCOCC4)c3)CC2)cc1 38831249 NZQATYDRECBBNM-UHFFFAOYSA-N 421.585 3.356 0 40 HGAB Cc1nccn1Cc1ccc(C(=O)NCc2ccc(CN3CCOCC3)cc2)cc1 38831786 ZIJQWEKWCIWKGF-UHFFFAOYSA-N 404.514 3.002 0 40 HGAB C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CN2CCN(c3ccccc3)CC2)C1=O 39546160 IUZDFTXYQFTBAR-VWLOTQADSA-N 414.509 3.387 0 40 HGAB COC(=O)c1c(CC(=O)N(C)CCOc2ccccc2Cl)[nH]c(C(C)=O)c1C 40001091 XIMIQMCHOCURLN-UHFFFAOYSA-N 406.866 3.046 0 40 HGAB CCCOC(=O)c1ccc(NC(=O)[C@@]23CCC(=O)N2c2ccccc2C(O)=N3)cc1 40313281 CGJNUDGZNVSNJF-JOCHJYFZSA-N 407.426 3.033 0 40 HGAB biogenic Nc1nc(N2CCc3ccccc3C2)[nH]c(=O)c1C(=S)Nc1ccc(Cl)cc1 40385571 CFUNYBMRPNRUEJ-UHFFFAOYSA-N 411.918 3.356 0 40 HGAB O=C(CCn1nc(-c2ccccc2)ccc1=O)NCc1cccc(Br)c1 41253540 OXKRWIFAXLEACC-UHFFFAOYSA-N 412.287 3.379 0 40 HGAB O=C(CN1CCN(c2cccc(Cl)c2)CC1)NC[C@H]1CCN(c2ccccc2)C1 51185269 PCCLDLWVDVDKNS-LJQANCHMSA-N 412.965 3.105 0 40 HGAB C[C@H]1CN(Cc2ccc(C(=O)N3CCC(Nc4cccnc4)CC3)cc2)C[C@@H](C)O1 58356014 XJCAOVSAGYQIMO-KDURUIRLSA-N 408.546 3.408 0 40 HGAB Cc1cccc(CN2CCC3(CC2)C[C@]2(CO3)NC(=O)c3cc(Cl)ccc3N2)n1 72325602 HDZFWKBFWWUSNE-JOCHJYFZSA-N 412.921 3.350 0 40 HGAB O=C(c1ccc2c(c1)OCO2)N1CCC(n2nc(-c3cccs3)ccc2=O)CC1 72335417 LYOPFNVBHMTARE-UHFFFAOYSA-N 409.467 3.178 0 40 HGAB Cn1cnc(S(=O)(=O)N2CCC[C@@H]2c2cccc(Cc3ccccc3F)n2)c1 72358244 INQPHGZVYVBDGT-LJQANCHMSA-N 400.479 3.071 0 40 HGAB Cc1cc(NCc2c(C)nn(-c3ccc(F)cc3)c2C)n([C@@H]2CCS(=O)(=O)C2)n1 84102071 KDLYLHDDACECMK-GOSISDBHSA-N 417.510 3.105 0 40 HGAB O=C(CC12C[C@@H]3C[C@H](C1)CC(C(=O)NCC(F)(F)F)(C3)C2)NCC(F)(F)F 84136382 CBSBILZMAMKKNH-MPLXBHQASA-N 400.363 3.320 0 40 HGAB FC(F)(F)c1cccc(C2(CNC(=S)NC[C@H]3CCCO3)CCOCC2)c1 84364413 XLANCXMZYSHJGF-MRXNPFEDSA-N 402.482 3.397 0 40 HGAB Cc1cc(C)n(-c2nc(CCNC(=O)C3(c4ccccc4)CCOCC3)cs2)n1 90609354 JOSGVNXAZUWRKN-UHFFFAOYSA-N 410.543 3.353 0 40 HGAB CCS(=O)(=O)N1CCC(c2cc3c(ncn3C(C)C)c(N3CCCC3)n2)CC1 96100004 GRLHAZPVCGUFBB-UHFFFAOYSA-N 405.568 3.142 0 40 HGAB COCCN(C)C(=O)c1nc(-c2cn(Cc3ccccc3)c(C)n2)n2ccccc12 96155174 IVWQPERGOMKJMN-UHFFFAOYSA-N 403.486 3.273 0 40 HGAB COc1ccc(Cc2noc([C@@H]3CCCN3C(=O)c3ccccc3O)n2)cc1OC 97102685 GYZAYVXPVFEEHP-INIZCTEOSA-N 409.442 3.361 0 40 HGAB CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)CN1CCCCC1=O 97262583 NVNUWVZVIVAXDY-UHFFFAOYSA-N 400.306 3.183 0 40 HGAB CC(=O)N1CCc2nc3cc([C@@H]4CCCCN4Cc4ccc(F)cc4)nn3c(O)c2C1 100242872 DWXYOAQOKQXWID-NRFANRHFSA-N 423.492 3.206 0 40 HGAB CCOC(=O)c1ccc(NC(=O)[C@@H]2C(=O)N(C)[C@]3(C)C[C@@H]2c2ccccc2O3)cc1 100297158 JTACJWZZFAPPCS-BOCKYXSRSA-N 408.454 3.173 0 40 HGAB COc1ccccc1[C@H]1[C@H]2C(=O)N(c3ccc(Cl)c(F)c3)C(=O)[C@@H]2N2CCCN12 102707053 HJYACQZTNOVVEN-CEXWTWQISA-N 415.852 3.023 0 40 HGAB Cc1ccc(Oc2ccc(NC(=O)CN3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cn2)cc1C 103274688 HETDWUWXLCTSQT-WWLNLUSPSA-N 417.465 3.236 0 40 HGAB O=C(O)c1ccc(NC[C@@H]2CCCO2)c(S(=O)(=O)NCCC2=CCCCC2)c1 217455256 MZOWDWGCCBTZHO-KRWDZBQOSA-N 408.520 3.145 0 40 HGAB CCOCCCNS(=O)(=O)c1ccc(NCCC2=CCCCC2)c(C(=O)O)c1 217641194 ACRUXXFKVNBDQH-UHFFFAOYSA-N 410.536 3.392 0 40 HGAB Cc1ccc(SCCNC(=O)[C@@H](C)N(c2ccccc2F)S(C)(=O)=O)cc1 220297503 IORYBRMHPKIJTC-OAHLLOKOSA-N 410.536 3.197 0 40 HGAB CC[C@@H](C(=O)NCCCc1ccc(C)cc1)N(c1cccc(OC)c1)S(C)(=O)=O 220627479 PBBWJYNQNPLFFE-NRFANRHFSA-N 418.559 3.297 0 40 HGAB COCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)COc1ccccc1Cl 222724425 ODMLLTJRIHSHDL-QGZVFWFLSA-N 418.921 3.289 0 40 HGAB Cc1ccsc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1CCCN1CCOCC1 223167978 ZJWCHUVMAFWNGV-QZTJIDSGSA-N 402.589 3.146 0 40 HGAB CCc1cc(S(=O)(=O)N(C)Cc2nc(-c3ccccc3C)no2)ccc1OC 223622379 MKNOQDXMKXKBPZ-UHFFFAOYSA-N 401.488 3.437 0 40 HGAB COc1ccc(S(=O)(=O)NCCOc2ccc(C)c(C)c2)cc1Br 223978681 XQLQHKUGOPMDHA-UHFFFAOYSA-N 414.321 3.432 0 40 HGAB CCOC(=O)c1ccc(C)c(N(CC)S(=O)(=O)c2ccc(NC(C)=O)cc2)c1 224903684 FRYDNWRNUMYMLX-UHFFFAOYSA-N 404.488 3.345 0 40 HGAB CCCN1C(C)=NS(=O)(=O)c2cc(C(=O)N(C)c3cccc(OC)c3)ccc21 225866279 OSQWYBFFKAFZSJ-UHFFFAOYSA-N 401.488 3.309 0 40 HGAB O=C(c1cccc(Oc2ccc(F)cc2)c1)N1CC(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)C1 238839231 HLPDUOWUCHUYHM-NHCUHLMSSA-N 420.440 3.394 0 40 HGAB COc1ccc(Cl)cc1NC(=O)C(=O)NCC1CCN(c2ccnc(C)c2)CC1 245026621 NDLCIGJIKNDOKY-UHFFFAOYSA-N 416.909 3.023 0 40 HGAB O=C(Cn1cccn1)N1CCC2(CC1)Oc1ccc(Cl)cc1[C@H]1OCCC[C@@H]12 257269969 MSFWBHRVIKYCSH-FXAWDEMLSA-N 401.894 3.458 0 40 HGAB COc1ccc(N(CCCC(=O)NC[C@H](C)c2ccccc2)S(C)(=O)=O)cc1 260844144 FMCKCELQRQPIDG-KRWDZBQOSA-N 404.532 3.161 0 40 HGAB CC[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)c1ccccc1 260903418 OTSUEDCYBLJJIH-FXAWDEMLSA-N 404.507 3.494 0 40 HGAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NC3CCCCC3)CC2)cc1C 408557884 OLJVHDOMSQWGEK-UHFFFAOYSA-N 408.564 3.243 0 40 HGAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)NC(c2ccccc2)c2ccccc2)cc1 408582910 FVUOHKNBGXWMFB-QGZVFWFLSA-N 424.522 3.268 0 40 HGAB O=C(CN1C(=O)S/C(=C/c2cccc(O)c2)C1=O)Nc1ccc(F)c(F)c1F 409346299 JUXYSJYNJYQEOC-NTUHNPAUSA-N 408.357 3.485 0 40 HGAB COc1ccc2[nH]cc(C3CCN(C(=O)[C@]45[C@H]6C(=O)[C@H]7[C@H]8C[C@@H]([C@@H]74)[C@@H]5[C@H]86)CC3)c2c1 503177421 JJCDULWJRQSVDU-XNGWYLHHSA-N 402.494 3.210 0 40 HGAB CC(=O)N1CCCCCCCN(C(C)C)Cc2cc(C(=O)N[C@@H](C)CO)ccc21 643575405 IZARAYCEOONEGP-SFHVURJKSA-N 403.567 3.325 0 40 HGAB CCC(=O)N1CC[C@H]2CCC[C@@H](CN(C(=O)c3ccncn3)Cc3ccccc31)N2C 643578149 HWFURKFGODFHDF-UXHICEINSA-N 421.545 3.119 0 40 HGAB Cn1cc(CN2CCCc3c(OCC(N)=O)cccc32)c(-c2cc(F)ccc2F)n1 1658156376 LIKBOGATGHGUEV-UHFFFAOYSA-N 412.440 3.182 0 40 HGAB O=C(NCc1ccc2c(c1)OCO2)c1cc2cc(Br)ccc2oc1=O 851089 NIFVGRWGDVXJCL-UHFFFAOYSA-N 402.200 3.214 0 40 HGAB Cc1ccc(N2C(=O)N(C)C(C)(C)[C@@H]2n2oc(=O)n(-c3ccc(C)cc3)c2=O)cc1 1237376 LAGYXMPISLDCRG-SFHVURJKSA-N 408.458 3.058 0 40 HGAB Cc1cccc(C)c1NC(=O)C1(N(C)C(=O)CSC2=NCCN2)CCCCC1 1409778 IAQARGFJYZHKMX-UHFFFAOYSA-N 402.564 3.096 0 40 HGAB COc1ccc(CN2C(=S)N(C)C(=O)[C@H]2CC(=O)Nc2ccccc2Cl)cc1 1421165 VMJJDEJSNMWFIJ-QGZVFWFLSA-N 417.918 3.305 0 40 HGAB CCOC(=O)C1=N/C(=C/c2[nH]c(C)c(C(=O)OCC)c2C)C(C(=O)OCC)=C1C 1664670 OEYKQAGMGSKXCX-XNTDXEJSSA-N 402.447 3.046 0 40 HGAB COc1ccc(NC(=O)COc2ccc(I)cc2)c(OC)c1 2652131 DYLKTVRGTQAMBY-UHFFFAOYSA-N 413.211 3.326 0 40 HGAB COc1ccc(-n2nc3c(c2NC(=O)[C@H](C)Oc2ccccc2)C[S@@](=O)C3)cc1 2724880 AIPWHTPKIHUETD-MMEWPQADSA-N 411.483 3.049 0 40 HGAB O=C(OCn1c(=O)n(COC(=O)c2ccccc2)c2ccccc21)c1ccccc1 3162649 AVBBIWLAZQJHOV-UHFFFAOYSA-N 402.406 3.432 0 40 HGAB CCCCN1C(=O)c2ccc(C(=O)OCC(=O)Nc3ccc(C)c(C)c3)cc2C1=O 3293997 RTWJJJKUUBHICS-UHFFFAOYSA-N 408.454 3.495 0 40 HGAB CCOC(=O)c1nn(-c2ccc(OC)cc2)c(=O)c2c(NC(=O)C(C)C)scc12 4121282 CALCQLGKXPVGIR-UHFFFAOYSA-N 415.471 3.227 0 40 HGAB Cc1cc(C)c(OCC(=O)N(Cc2ccccc2)[C@H]2CCS(=O)(=O)C2)c(C)c1 4164011 UVEHCIGDMBAROE-FQEVSTJZSA-N 401.528 3.207 0 40 HGAB Cc1cc(C)nc(SCc2cc(=O)c(OC(=O)c3ccc4c(c3)OCO4)co2)n1 4377229 LXPMILWRCAPAJZ-UHFFFAOYSA-N 412.423 3.287 0 40 HGAB Cc1ccc(-n2ncc3c(=O)n(CC(=O)Nc4cc(C)ccc4C)cnc32)c(C)c1 4479258 VSUREJNVYDYMEN-UHFFFAOYSA-N 401.470 3.455 0 40 HGAB Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3cccn3-c3ccccc3)C2=O)c1 4498423 ZDEYQEWJKWXAQJ-XSFVSMFZSA-N 400.438 3.317 0 40 HGAB O=C(COC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(Br)cc1 4610517 SJHBYRVQMJCXAG-INIZCTEOSA-N 416.271 3.224 0 40 HGAB COC(=O)c1cc(NC(=O)c2cc(Cl)ccc2OC)ccc1N1CCOCC1 4711496 LVGSIEVWFSCXRT-UHFFFAOYSA-N 404.850 3.224 0 40 HGAB COc1ccc(C(=O)N(C)Cc2nc(-c3ccc(OC)c(OC)c3)no2)cc1OC 4943529 ZQKISZFGYCTTTL-UHFFFAOYSA-N 413.430 3.043 0 40 HGAB O=C(COC(=O)c1cc2ccccc2oc1=O)Nc1cccc(Br)c1 5739126 MQQLWGREJJSQOI-UHFFFAOYSA-N 402.200 3.351 0 40 HGAB COc1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(OC)c(C)c3)C2)c1 6202972 AVYNOMMKDJQVHB-INIZCTEOSA-N 418.515 3.052 0 40 HGAB CCCOc1cccc(C(=O)NC(=S)Nc2sc3c(c2C(N)=O)CCC3)c1 6265129 AOIQHRODVQPXBY-UHFFFAOYSA-N 403.529 3.251 0 40 HGAB CCC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1 6324951 AMAFDDWJOBWDDP-KRWDZBQOSA-N 404.532 3.191 0 40 HGAB COc1ccc(C(=O)N[C@H](C(=O)N2CCN(c3cccc(C)c3C)CC2)C(C)C)cc1 6551550 VRCRAZGMIZZHBW-QHCPKHFHSA-N 423.557 3.415 0 40 HGAB O=C(NCc1ccccc1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1F 7977226 IPZKTRHVWATSHS-FQEVSTJZSA-N 412.486 3.032 0 40 HGAB CCc1cccc(CC)c1NC(=O)COC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 8036816 NIDRUJLCIVNJBI-KRWDZBQOSA-N 412.461 3.485 0 40 HGAB O=C(N[C@H]1CCN2C(=O)c3cc(-c4cccs4)ccc3NC(=O)[C@H]12)C1CCCC1 8296720 MFXFNBIDNFQHKI-HKUYNNGSSA-N 409.511 3.257 0 40 HGAB biogenic,in-vitro CSc1nc(N2CCCCC2)c2cnn(CCNC(=O)c3ccccc3F)c2n1 8945738 VMKBJRCTWBSNIU-UHFFFAOYSA-N 414.510 3.108 0 40 HGAB CCSc1nc(NC(C)C)c2cnn(CCNC(=O)c3ccc(F)cc3)c2n1 8948452 GALNUKXYKSONJZ-UHFFFAOYSA-N 402.499 3.328 0 40 HGAB COc1c(F)c(F)cc2c(=O)c(C(=O)N[C@H](CO)c3ccccc3)cn(C3CC3)c12 8990637 OJGAHDPPLXJWLL-QGZVFWFLSA-N 414.408 3.087 0 40 HGAB COc1ccc(NC(=O)CN2CCC(C(=O)Nc3ccc(F)cc3)CC2)c(OC)c1 9070910 SLFOPXJEHWSRSG-UHFFFAOYSA-N 415.465 3.132 0 40 HGAB CS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(Br)cc2Cl)cc1 9130296 DLOWHWGADDKEEO-UHFFFAOYSA-N 424.725 3.307 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=S)NC(=O)c1cccs1 9138455 KTKSPNBWOJXVDM-UHFFFAOYSA-N 423.585 3.358 0 40 HGAB CC(=O)Nc1cccc(NC(=O)[C@@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)c1 9193380 NFRTZCDKXIRCJN-GFCCVEGCSA-N 409.895 3.092 0 40 HGAB O=C(CSc1ccc2nnc(-c3ccc(F)cc3)n2n1)Nc1ccc2c(c1)OCO2 9414955 FJPWFMAEIRBQHG-UHFFFAOYSA-N 423.429 3.390 0 40 HGAB CCOc1ccccc1NC(=O)Cn1cnc2c(cnn2-c2ccc(Cl)cc2)c1=O 9416390 UCFZAFUKNYVMSJ-UHFFFAOYSA-N 423.860 3.273 0 40 HGAB COc1cn(-c2ccccc2)nc1C(=O)N1CCN(c2cc(C)nc(C(C)C)n2)CC1 11077419 NMAAQDDORXNTRF-UHFFFAOYSA-N 420.517 3.065 0 40 HGAB Cc1cccc(Cn2cnc3c(cnn3CCNC(=O)c3ccccc3Cl)c2=O)c1 12072260 YALKUSVLWJTVPH-UHFFFAOYSA-N 421.888 3.033 0 40 HGAB COc1ccccc1C1=NO[C@@H](CC2(C(=O)NCCc3ccccn3)CCOCC2)C1 12088833 PPSIYVHIYFRMEX-LJQANCHMSA-N 423.513 3.129 0 40 HGAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccc(F)c(NS(C)(=O)=O)c1 12778394 AGWNGOZESROGHU-IBGZPJMESA-N 417.462 3.100 0 40 HGAB O=C(CN1CCC(C(=O)Nc2ccccc2O)CC1)NCc1ccccc1Cl 12798441 WMQLTJUSBPDWOI-UHFFFAOYSA-N 401.894 3.013 0 40 HGAB C[C@H]1CCC[C@@H](C)N1C(=O)COC(=O)c1ccccc1I 13109454 BMGLHRGBDWXMMG-TXEJJXNPSA-N 401.244 3.238 0 40 HGAB CN(c1ccc(OCC(=O)NC2CCCCC2)cc1)S(=O)(=O)c1ccccc1 13584649 LXIZBCTYGXLRDU-UHFFFAOYSA-N 402.516 3.339 0 40 HGAB O=C(NCCc1c[nH]c2ccc(OCc3ccccc3)cc12)C(=O)Nc1cccnc1 13722781 CHZJLPXSWYLMSA-UHFFFAOYSA-N 414.465 3.439 0 40 HGAB O=C(COC(=O)c1cc(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)ccc1O)c1ccc(F)cc1 13945175 KFPVJGGPRGYCEZ-CALCHBBNSA-N 423.396 3.027 0 40 HGAB O=C(c1cccc(N2CCCC2=O)c1)N1CCN(Cc2ccc(Cl)s2)CC1 14231332 OZZHUWSDORHELU-UHFFFAOYSA-N 403.935 3.486 0 40 HGAB CC(=O)Nc1ccc(OC(=O)CCNC(=O)c2ccc(Br)cc2)cc1 15577029 NVDPNKTYQSVHOW-UHFFFAOYSA-N 405.248 3.133 0 40 HGAB O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](c2ccc(Cl)cc2)N1c1nnn[nH]1 16741967 NBOPMFGEZRPRAV-CQSZACIVSA-N 414.208 3.363 0 40 HGAB COC(=O)/C=C1/N=C(Nc2nc(C)cc(C)n2)N(c2ccc(Cl)c(Cl)c2)C1=O 18137009 IIBKMBZUENMQNX-RIYZIHGNSA-N 420.256 3.272 0 40 HGAB C[C@]1(C(=O)NC2CCN(Cc3cccnc3)CC2)CC(c2ccccc2Cl)=NO1 19460863 FHUNESBEZKITGA-JOCHJYFZSA-N 412.921 3.399 0 40 HGAB CCc1cc(C(F)(F)F)n2nc([C@@H]3CCCN3C(=O)COc3cccnc3)cc2n1 19522277 VJLHFJYSJJLYRA-INIZCTEOSA-N 419.407 3.448 0 40 HGAB COc1cccc(CN2CCC[C@H]([C@@H]3C[C@H](C(F)F)n4ncnc4N3)C2)c1OC 19567760 LRNLCNDCTQWXCD-CWRNSKLLSA-N 407.465 3.198 0 40 HGAB COc1ccc(-c2cnc(N(C)C)nc2C2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1 19695190 RHDAFCXVYWFVLN-FQEVSTJZSA-N 410.518 3.103 0 40 HGAB COC(=O)C1=C(C)N(c2ccccc2)C(=O)C[C@H]1C(=O)Nc1ccc(C(C)=O)cc1 19819032 AUGJUXPWYDSVRN-LJQANCHMSA-N 406.438 3.328 0 40 HGAB CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@@H](C)c2ccc(OC)cc2)ccc1OC 20025072 DKVQSERAWBGKRU-HNNXBMFYSA-N 420.531 3.225 0 40 HGAB COCCCNC(=O)c1ccc2c(c1)C[C@@H](C)N2S(=O)(=O)c1ccc(Cl)cc1 20448419 HHNYVQINJCTGKS-CQSZACIVSA-N 422.934 3.246 0 40 HGAB Cc1ccc(Cl)cc1NC(=O)[C@H](C)OC(=O)c1ccc(N2CCOCC2)nc1 21592002 IHJNNHUOCWECCP-AWEZNQCLSA-N 403.866 3.064 0 40 HGAB COc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2cccc(C)c2C)c1 22229717 GBPZUQJQSAGWEY-LJQANCHMSA-N 402.516 3.412 0 40 HGAB CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)Nc1nc(CN2CCCCC2)cs1 22238288 ZVDVUKRLCBLQTK-FQEVSTJZSA-N 414.575 3.451 0 40 HGAB COc1ccc(CN(C)C(=O)CN(c2ccccc2C(C)C)S(C)(=O)=O)cc1 22400488 KMDWIHJZFUBHKH-UHFFFAOYSA-N 404.532 3.243 0 40 HGAB CCc1ccc(NC(=O)[C@@H](C)N2CCN(Cc3cc(OC)ccc3OC)CC2)cc1 22786114 RVJBTSLLVDUQAB-GOSISDBHSA-N 411.546 3.411 0 40 HGAB CCOc1ccc(C(=O)N2CCN(Cc3ccc(OC)c(OC)c3)CC2)cc1OC 23763494 FNWHRFDSAZLOAF-UHFFFAOYSA-N 414.502 3.069 0 40 HGAB O=C([C@H]1CCCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C1)N1CCCC1 26110374 YOBHEUVRLYRHFU-ZDUSSCGKSA-N 405.347 3.158 0 40 HGAB C[C@H](OC(=O)c1cc2sc3ccccc3c2s1)C(=O)N1CCC[C@H](C(N)=O)C1 27514796 LRZTVUVMTZGANT-RYUDHWBXSA-N 416.524 3.385 0 40 HGAB Cn1ccnc1SCc1ccc(C(=O)N2CCC(NC(=O)c3ccccc3)CC2)o1 28106070 LIYHCXRTSPYRMO-UHFFFAOYSA-N 424.526 3.340 0 40 HGAB O=C(COc1ccc2c(c1)CCC(=O)N2)NCc1ccc(CN2CCCCC2)cc1 29720936 XVNAMGARFLIKFR-UHFFFAOYSA-N 407.514 3.252 0 40 HGAB O=C(NC[C@H](c1ccccc1)N1CCCC1)C1CCN(c2ccc(Cl)nn2)CC1 32779890 BUKYQWMKLBWKAX-LJQANCHMSA-N 413.953 3.300 0 40 HGAB O=c1c2cc(Cl)ccc2ncn1C[C@H](O)COCCOc1ccc(Cl)cc1 32854270 FHJJNCHEHYSPTO-HNNXBMFYSA-N 409.269 3.160 0 40 HGAB CCCCS(=O)(=O)Nc1ccc(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc1 32923881 GGSMGMCKJLCHMP-NRFANRHFSA-N 415.559 3.233 0 40 HGAB COCCCNC(=O)c1cc2cc(Br)cc(Br)c2oc1=O 36627538 JREULPCEWZFIFZ-UHFFFAOYSA-N 419.069 3.084 0 40 HGAB CC(=O)Nc1ccc(NC(=O)CCCCCNS(=O)(=O)c2ccc(C)cc2)cc1 40142995 NPTHORXLRMRTIR-UHFFFAOYSA-N 417.531 3.431 0 40 HGAB CN(C)c1c(Cl)cccc1NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 48263763 HRSQDDDPJUJEPN-CYBMUJFWSA-N 415.877 3.169 0 40 HGAB CCOc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2CCOC)cc1 57425679 YQPGJOSIPPCBAM-UHFFFAOYSA-N 419.528 3.234 0 40 HGAB Cc1ccccc1N(CC(=O)Nc1cc(Cl)c(N)c(Cl)c1)S(C)(=O)=O 58139366 PMTKBJYSNWDIPH-UHFFFAOYSA-N 402.303 3.289 0 40 HGAB Cc1ccc(NC(=O)CCc2nnc3n2CCN(Cc2ccccc2C)C3=O)cc1 65502126 MTIZDIYNADGYJZ-UHFFFAOYSA-N 403.486 3.122 0 40 HGAB O=C(Nc1ccc([C@H]2OCC(=O)N(Cc3ccncc3)[C@@H]2CO)cc1)C1CCCCC1 72321270 FWBIZAIEWXSTII-FYYLOGMGSA-N 423.513 3.061 0 40 HGAB biogenic,in-vitro NC(=O)c1cccc(-c2cccc([C@@H]3CCCN(C(=O)Cc4cccnc4)C3)n2)c1 72349385 HXIDRWYKYFWTRZ-HXUWFJFHSA-N 400.482 3.191 0 40 HGAB CCn1cc(S(=O)(=O)N2CCC[C@@H]2c2cccc(Nc3ccccn3)n2)c(C)n1 72375589 NUAFDKHQDYWSEQ-QGZVFWFLSA-N 412.519 3.271 0 40 HGAB Cc1noc(-c2ccc(N3CCC[C@H](C(=O)N[C@@H](C)CCc4ccco4)C3)nc2)n1 77100779 LHWXSWBYTAJISA-YJBOKZPZSA-N 409.490 3.387 0 40 HGAB O=C1C[C@H](Cc2ccc(NC(=O)NCc3cccc(C(F)(F)F)c3)cc2)C(=O)N1 95963139 UMGCESQBPDTMDQ-AWEZNQCLSA-N 405.376 3.232 0 40 HGAB COC(=O)c1ccccc1NC(=O)/C(=C\c1ccco1)n1nnnc1-c1ccccc1 96817206 QPUJNGVYWSNNOR-XMHGGMMESA-N 415.409 3.357 0 40 HGAB Cc1nn(-c2ccc(Br)cc2)cc1CNc1cccc(S(N)(=O)=O)c1 97236901 HOGYEESQWCRZEC-UHFFFAOYSA-N 421.320 3.203 0 40 HGAB CCOc1ccccc1N1CCN(C(=O)C2CCN(Cc3cccnc3)CC2)CC1 199431571 DCEQAVIQKODGSD-UHFFFAOYSA-N 408.546 3.041 0 40 HGAB COc1ccc(CC(=O)N[C@@H]2CCN(c3ccc(C(F)(F)F)cn3)C2)cc1OC 206786585 DGHAUXAJOWODHK-OAHLLOKOSA-N 409.408 3.055 0 40 HGAB CC[C@H](C(=O)NCCCc1cccc(C)c1)N(c1ccc(OC)cc1)S(C)(=O)=O 220653992 DQXZNTLCKRPPSR-OAQYLSRUSA-N 418.559 3.297 0 40 HGAB CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2cc(C(=O)O)cc(C(=O)O)c2)o1 222760089 QJIQZEGMWIWZOD-QZTJIDSGSA-N 423.450 3.340 0 40 HGAB COc1ccccc1N(CCCC(=O)N(C)Cc1ccc(C)cc1)S(C)(=O)=O 222844622 FYDOVEGNJSRUDH-UHFFFAOYSA-N 404.532 3.208 0 40 HGAB OCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(Cl)cn1 223629132 QFZRCJUSJJJKIB-RTBURBONSA-N 413.934 3.276 0 40 HGAB CC[C@H](C(=O)NCCOc1ccc(F)cc1)N(c1ccc(C)c(C)c1)S(C)(=O)=O 224314251 OLSGFXZFRKLACI-HXUWFJFHSA-N 422.522 3.182 0 40 HGAB CCC(=O)N1CCc2cc(S(=O)(=O)Nc3cc(OC)c(Cl)cc3OC)ccc21 225028826 RCUODFNRSVNDMP-UHFFFAOYSA-N 424.906 3.457 0 40 HGAB CO[C@@H](CNC(=O)CCc1ccc(S(C)(=O)=O)cc1)c1ccc(Cl)s1 225704641 HAQWYCOLKAIWGX-AWEZNQCLSA-N 401.937 3.242 0 40 HGAB CCOC(=O)c1cc(I)c(OCc2cccnc2)c(OC)c1 226321421 HCXMIKIMYCHWEM-UHFFFAOYSA-N 413.211 3.451 0 40 HGAB COc1ccc(S(=O)(=O)NC[C@](O)(c2ccoc2)c2cccs2)cc1Cl 253473855 ZEPLHIBLJHKEAZ-KRWDZBQOSA-N 413.904 3.218 0 40 HGAB Cc1ccc(NC(=O)CN2CC[C@@]3(CCCN3Cc3ccccc3)[C@@H](O)C2)cc1F 257230370 GCAHMWCQFVORLK-UPVQGACJSA-N 411.521 3.174 0 40 HGAB CO[C@H]1CCN(CC(=O)Nc2ccc(OCc3ccccc3)cc2)C[C@]12CCCO2 257273768 NICQIEXMGIZOJW-LADGPHEKSA-N 410.514 3.474 0 40 HGAB CC(=O)N[C@H]1CC[C@](CNC(=O)C2CCC(F)(F)CC2)(c2ccccc2)CC[C@@H]1O 257315195 VAIXZKNHXUOCOT-ONTIZHBOSA-N 422.516 3.306 0 40 HGAB NC(=O)C[C@H]1CN(C(=O)COc2ccccc2F)CC[C@@H]1Oc1cccc(Cl)c1 257342348 ZOFRUMYGFQNIMJ-KSSFIOAISA-N 420.868 3.029 0 40 HGAB COc1cccc(C(=O)N2CCC[C@](COc3ccc(F)cc3)(CC(N)=O)C2)c1 257343417 ZSXHADSKDRPUPZ-QFIPXVFZSA-N 400.450 3.011 0 40 HGAB COc1ccc(Cl)cc1NC(=O)COC(=O)CCCC(=O)NC1CCCCC1 408643441 BADRIOMQLWLJKF-UHFFFAOYSA-N 410.898 3.450 0 40 HGAB CS(=O)(=O)N(CC(=O)NCCC1=CCCCC1)c1ccc(Br)cc1 409025156 MTAJYZLWJIGUCG-UHFFFAOYSA-N 415.353 3.222 0 40 HGAB O=C1C[C@H](c2cc(Br)ccc2OCc2ccc(F)cc2)N2NC=NC2=N1 409370486 RQTKJZVHOQXFMV-OAHLLOKOSA-N 417.238 3.343 0 40 HGAB O=C1C[C@H](C(=O)N2CCCC3=C[C@@H]4C[C@@H](CN5CCCC[C@@H]45)[C@H]32)CN1Cc1ccco1 409415192 WJXXWLHUWHORMV-ZFJRXVOLSA-N 423.557 3.050 0 40 HGAB Cc1ccccc1C(=O)N1CCO[C@]2(CCCCc3ccccc3OCCNC2=O)C1 643557456 WFYZUSVDQMUIBO-RUZDIDTESA-N 422.525 3.128 0 40 HGAB CN(Cc1ccccn1)C(=O)C1=NO[C@@]2(CCCN(Cc3ccc(F)c(F)c3)C2)C1 1204221872 JTUTVWNVCHEUKF-QFIPXVFZSA-N 414.456 3.129 0 40 HGAB O=C(N[C@@H]1CCCN(c2ccccc2Cl)C1=O)[C@H]1CCO[C@H](c2ccccc2)O1 1634293005 NASQEXKVMMHPIP-JUXOCIIHSA-N 414.889 3.456 0 40 HGAB Cc1ccc(-c2ccc(N3CCN(Cc4nnc(C(F)(F)F)o4)CC3)nn2)cc1 1775975867 OVCVTJMZCLOPQO-UHFFFAOYSA-N 404.396 3.176 0 40 HGAB CN(c1ncc(Cl)cn1)C1CCN(C(=O)c2cncc(Br)c2)CC1 1848771259 CUPKWYGUOGSMNK-UHFFFAOYSA-N 410.703 3.029 0 40 HGAB Cc1cn2nc(OCC3CCN(C(=O)Cc4cn(C)c5ccccc45)CC3)ccc2n1 1888928933 VTUYGSSDSNUTHQ-UHFFFAOYSA-N 417.513 3.390 0 40 HGAB O=C(COc1ccc(S(=O)(=O)NC2CCCC2)cc1)NCc1ccc(Cl)cc1 983540 OGULUXDLTUFQMQ-UHFFFAOYSA-N 422.934 3.256 0 40 HGAB O=S(=O)(NC1CCCC1)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 1325854 VLPYJLCROYMDIR-UHFFFAOYSA-N 420.556 3.049 0 40 HGAB O=C(CNC(=O)c1ccccc1)OCC(=O)c1ccc(OCc2ccccc2)cc1 1838169 OHGIMKMDRQHQQG-UHFFFAOYSA-N 403.434 3.422 0 40 HGAB CCCCOc1ccc(C(=O)Nc2nc3ccc(S(N)(=O)=O)cc3s2)cc1 3268345 DOWHPVPMJSCKGH-UHFFFAOYSA-N 405.501 3.375 0 40 HGAB COc1cccc(-n2c(=O)[nH]cc(C(=O)Nc3cc(Cl)cc(Cl)c3)c2=O)c1 4033803 DLIYUHCQHSMQTJ-UHFFFAOYSA-N 406.225 3.094 0 40 HGAB Cc1cc(C)cc(N(C(=O)c2cc3ccccc3oc2=O)[C@H]2C=CS(=O)(=O)C2)c1 4165637 JNQQGFBKQASVSA-KRWDZBQOSA-N 409.463 3.367 0 40 HGAB O=C(CSc1nnc(NC(=O)Cc2ccccc2)s1)NCc1ccc(F)cc1 4328514 ZVVMFVPHQNZZAX-UHFFFAOYSA-N 416.503 3.267 0 40 HGAB O=C(COc1coc(CN2CCc3ccccc3C2)cc1=O)Nc1ccc(F)cc1 4583966 XFIWUOURPVWCNT-UHFFFAOYSA-N 408.429 3.355 0 40 HGAB O=C(NC[C@@H](c1ccco1)N1CCc2ccccc21)C(=O)Nc1ccc(F)cc1F 5152850 SYCXCMGVIAJDOZ-IBGZPJMESA-N 411.408 3.417 0 40 HGAB O=C(CSc1nnc2ccccn12)Nc1cccc(I)c1 5212876 PYGZTHXRJYXHRH-UHFFFAOYSA-N 410.240 3.065 0 40 HGAB CN(C)CCn1c2c(c(SCC(=O)Nc3ccc(Cl)cc3)nc1=O)CCCC2 5254432 XBGREGVTBLEYFV-UHFFFAOYSA-N 420.966 3.068 0 40 HGAB CCOC(=O)c1c(C)[nH]c(C(=O)CSc2nncn2-c2ccc(OC)cc2)c1C 5688913 AJXYXMAXOCTZDG-UHFFFAOYSA-N 414.487 3.373 0 40 HGAB COC[C@H](C)n1c(SCC(=O)N[C@@H]2CCCC[C@H]2C)nc2ccccc2c1=O 5786628 CJKNTCGCIDLXNM-HLLBOEOZSA-N 403.548 3.391 0 40 HGAB O=C(NCCc1ccc(F)cc1)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 6778743 GBWZNSOZGJIWLW-QFIPXVFZSA-N 416.452 3.392 0 40 HGAB Cc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)Nc1ccc2c(c1)OCO2 6948956 GREBDTKJOZPWOO-UHFFFAOYSA-N 414.439 3.048 0 40 HGAB C[C@@H](NS(=O)(=O)c1ccc(N2CCCC2=O)cc1)c1ccc(-n2ccnc2)cc1 7322697 UKDCSIKMBGIYEI-MRXNPFEDSA-N 410.499 3.039 0 40 HGAB CCOc1ccc([C@@H]2Nn3c(C)nnc3S[C@@H]2C(=O)NCc2ccc(C)cc2)cc1 9239024 NXTSSVMHONUHAN-PMACEKPBSA-N 423.542 3.369 0 40 HGAB O=C(CSc1ncc(C(=O)O)n1-c1ccc(F)cc1)NCCc1ccc(F)cc1 9282810 ACZNDKNYMKQVBO-UHFFFAOYSA-N 417.437 3.300 0 40 HGAB CCC(C)(C)NCC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 9336782 BWTPXUWKVVASTN-UHFFFAOYSA-N 401.960 3.231 0 40 HGAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCCN(C)C)ccc2C)c(C)c1 10111462 NJVWMPQWPJWTMH-UHFFFAOYSA-N 403.548 3.094 0 40 HGAB O=C(NCCCN1CCCC1)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1 10450147 CDUGDPJDNXAUNM-QFIPXVFZSA-N 413.543 3.270 0 40 HGAB O=C(/C=C/c1ccccc1)NCCC(=O)NCc1ccc(NC(=O)c2ccco2)cc1 11146136 SBMZFXPCHZQIPX-JLHYYAGUSA-N 417.465 3.368 0 40 HGAB CCCNC(=O)[C@@H](C)NC(=O)CSc1nnc(-c2ccco2)n1C1CCCCC1 11152373 WHHLHPIVEXHHOP-CQSZACIVSA-N 419.551 3.166 0 40 HGAB Cc1ccc(CNC(=O)C[C@H]2CCCCN2S(=O)(=O)c2ccc(F)cc2)cc1 11612805 QDSDFXHPGZJANQ-LJQANCHMSA-N 404.507 3.384 0 40 HGAB O=C(Nc1cccc(-n2cnnn2)c1)C1=Cc2cc(Br)ccc2OC=C1 12274575 GGBQUTPZDLLZOL-UHFFFAOYSA-N 410.231 3.353 0 40 HGAB CCc1nn(C)c(C(=O)N2CCC[C@H](c3nc4ccc(F)cc4cc3C(N)=O)C2)c1C 12276270 JKVYXXIGDNJXMK-AWEZNQCLSA-N 423.492 3.097 0 40 HGAB COC(=O)C1=C(C)N(c2ccc3c(c2)OCCO3)C(=S)N[C@@H]1c1ccc(F)cc1 12553351 AMHGSNIUGAQIIM-LJQANCHMSA-N 414.458 3.480 0 40 HGAB Cc1nn(CCC(=O)N2CCC[C@@H](c3nc4ccccc4cc3C(N)=O)C2)c(C)c1C 12747042 AUBMIXDZZOFCPN-LJQANCHMSA-N 419.529 3.252 0 40 HGAB COC(=O)c1cccc2c1CCCN2C(=O)CCc1cc(OC)c(OC)c(OC)c1 12920359 BUHDRCLBSXESKG-UHFFFAOYSA-N 413.470 3.411 0 40 HGAB CCN(CC(=O)Nc1ccc(OC)cc1)C(=O)c1ccc2c(c1)NC(=O)[C@H](C)S2 13016978 JSQLUTUQAGEFSZ-ZDUSSCGKSA-N 413.499 3.229 0 40 HGAB Cc1cc(C)n(C[C@H](C)C(=O)N2CCC[C@H](c3nc4ccccc4cc3C(N)=O)C2)n1 13225365 MJSAQXXJZALMSX-KXBFYZLASA-N 419.529 3.189 0 40 HGAB Cc1cc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)n(C(C)C)n1 13657101 OEXOETBPXXIZRZ-HNNXBMFYSA-N 424.954 3.465 0 40 HGAB O=C(O)C[C@@H](CNC(=O)COc1ccc2ccc(=O)oc2c1)c1ccc(Cl)cc1 15934935 AIGSBBRMQLXAIM-HNNXBMFYSA-N 415.829 3.200 0 40 HGAB CC(C)(C)C(=O)NCc1ccc(C(=O)CN2C(=O)NC3(CCCCCC3)C2=O)s1 16048318 QKJYGWUFLVUAOG-UHFFFAOYSA-N 419.547 3.238 0 40 HGAB Cc1nn(-c2ccccc2)c2nc(C3CC3)cc(C(=O)NCCCN3CCOCC3)c12 17091888 RPPFWYGOMFRCTH-UHFFFAOYSA-N 419.529 3.058 0 40 HGAB CCCS(=O)(=O)N1CCCc2ccc(NC(=O)c3ccc(OC)cc3OC)cc21 17286611 DKTWXKYOAILQOI-UHFFFAOYSA-N 418.515 3.449 0 40 HGAB COc1ccc([C@@H]2CN(C(=O)C3CC3)[C@H]3CCN(C(=O)c4ccc(C)nc4)C[C@H]32)cc1 19214907 MRMVNCYASQPHER-VABKMULXSA-N 419.525 3.265 0 40 HGAB Cc1ccc(-c2cc(N)c(=O)n(CC(=O)Nc3ccccc3OC(F)F)n2)s1 19217505 MDNIQTVKSFLMLX-UHFFFAOYSA-N 406.414 3.103 0 40 HGAB CCN1CCN(C(=O)c2ccncc2)C[C@H](Cc2cccc(-c3cccnc3)c2)C1=O 19527565 HARKLDMUCDZMFD-QHCPKHFHSA-N 414.509 3.307 0 40 HGAB CCN1CCN(CC2=CCCOC2)C[C@H](Cc2ccccc2-c2ccncc2)C1=O 19527751 XPTXSBFDJQLNKG-QHCPKHFHSA-N 405.542 3.418 0 40 HGAB O=C(C1CCN(c2ccc(C(F)(F)F)cn2)CC1)N1CCC(N2CCCC2)CC1 19661358 WFRKYVNOVIGMFL-UHFFFAOYSA-N 410.484 3.404 0 40 HGAB COCC(=O)N1CCCC[C@@H]1c1nc(C)c2c(n1)N(CCc1ccccc1)CCC2 19706222 KXKQVIWSMLDTLB-OAQYLSRUSA-N 408.546 3.480 0 40 HGAB COc1ccc(CCCC(=O)N2CCC[C@H]2c2nc(C)c3c(n2)N(C)C(=O)C3)c(C)c1 19744314 IZFHCTOGDVWDIZ-FQEVSTJZSA-N 422.529 3.307 0 40 HGAB COc1ccc(NC(=O)CSc2nc(N)c3c4c(sc3n2)CN(C)CC4)cc1 20394123 UBUZZOIJKRFKPO-UHFFFAOYSA-N 415.544 3.001 0 40 HGAB COc1ccccc1Cn1c(=O)c2cccnc2n(Cc2cccc(Cl)c2)c1=O 20861182 CEYIFFWHBBZCCH-UHFFFAOYSA-N 407.857 3.317 0 40 HGAB CC(C)NC(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1 22274282 SXNQWWVWABJHIB-UHFFFAOYSA-N 411.321 3.169 0 40 HGAB CCOc1cccc(N(CC(=O)NCCSC2CCCCC2)S(C)(=O)=O)c1 22389449 QAWWEYSBAQBPHQ-UHFFFAOYSA-N 414.593 3.033 0 40 HGAB O=C1CN(Cc2ccc(-c3nc(C4CC4)cc(=O)[nH]3)cc2)CCN1c1ccccc1 23232528 FJJQPEOLWFOITP-UHFFFAOYSA-N 400.482 3.163 0 40 HGAB CC(C)CN1CCO[C@@H](CSC2=NN/C(=C3\C=Nc4ccccc43)N2C2CC2)C1 23673426 GIFWBCYCFYBIPE-DPPKGPFUSA-N 411.575 3.500 0 40 HGAB COc1ccccc1-c1cc(COC(=O)c2cccc(NS(C)(=O)=O)c2)on1 26254264 RXHTXCMWHNXSEW-UHFFFAOYSA-N 402.428 3.079 0 40 HGAB O=C(CCn1cnc2sc3c(c2c1=O)CCCC3)Nc1cccc(-c2nnco2)c1 30584484 UPDLRKPRKCPIDA-UHFFFAOYSA-N 421.482 3.416 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc(Cn3ccnc3)cc2)cc1 30939268 CBZBUEOEOYQKKQ-UHFFFAOYSA-N 412.515 3.214 0 40 HGAB O=C(Nc1nnc(Cc2ccccc2)s1)[C@H]1CC(=O)N(Cc2ccc(F)cc2)C1 31816930 AZTBYVVRTBGGRO-INIZCTEOSA-N 410.474 3.255 0 40 HGAB COC(=O)CCCN(C)C(=O)c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1 32278465 OXHDPVZOCXJSGE-UHFFFAOYSA-N 402.451 3.160 0 40 HGAB Cc1cccc(Cc2cnc(NC(=O)CSc3ncnc4c3cnn4C)s2)c1 32778377 JMEBDSPPXVKROH-UHFFFAOYSA-N 410.528 3.450 0 40 HGAB COc1cc(OC)cc(C(=O)NCCN2C(=O)S/C(=C/c3ccccc3)C2=O)c1 35152859 JYNONNWNCAJGAC-VCHYOVAHSA-N 412.467 3.170 0 40 HGAB O=C(Cc1csc(NC(=O)c2ccsc2)n1)NCCOc1ccc(F)cc1 38575661 ZFRPEUSUTWFMKA-UHFFFAOYSA-N 405.476 3.334 0 40 HGAB O=C(Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)CCC2)c1ccno1 38693376 ATHAKQRTZUHYIF-UHFFFAOYSA-N 401.419 3.208 0 40 HGAB C[C@@H](NC(=O)c1cn(-c2cccc(Br)c2)nn1)c1nc2ccccc2[nH]1 40073785 FOVUAMZWFJJNBI-LLVKDONJSA-N 411.263 3.397 0 40 HGAB Cc1oc(C(=O)n2cccc/c2=N\C2CCCCC2)cc1S(=O)(=O)N1CCCC1 40132296 BEFJLOMROKYMOR-LSDHQDQOSA-N 417.531 3.096 0 40 HGAB Cc1cn2c(CCC(=O)Nc3nc4ccc(S(C)(=O)=O)cc4s3)csc2n1 49422454 OCLYVWVPSPFUGC-UHFFFAOYSA-N 420.541 3.289 0 40 HGAB Cc1cc(F)ccc1-n1c(=O)c2sccc2n(CC(=O)Nc2ccccc2)c1=O 57493467 ZIERIARVFXHNHM-UHFFFAOYSA-N 409.442 3.300 0 40 HGAB CCOC(=O)C[C@H](c1c(O)c2ccccc2[nH]c1=O)c1cc2ccccc2n(C)c1=O 72325230 XFRIUQMLILGCBB-INIZCTEOSA-N 418.449 3.171 0 40 HGAB biogenic Cc1cc(C(=O)N2CCC(c3nc(NC4CC4)ncc3-c3cc(C)no3)CC2)on1 72337681 OOEFMSQHGFSWBJ-UHFFFAOYSA-N 408.462 3.331 0 40 HGAB CN(C)CCNc1nc(-c2ccncc2)nc2c1CN(Cc1ccc(F)cc1)CC2 72340122 ABFRHMKWOFHEMB-UHFFFAOYSA-N 406.509 3.210 0 40 HGAB Cc1cc(C(F)(F)F)nn1CCc1cc(=O)[nH]c(N[C@H]2CCOc3ccccc32)n1 72391457 UGCBDXDHYYPYLO-HNNXBMFYSA-N 419.407 3.472 0 40 HGAB CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(C)cc3)CC2)c1 89633485 RBTUEPPSILMYBX-UHFFFAOYSA-N 400.500 3.237 0 40 HGAB COc1ccc(N2CCC[C@@H](C(=O)NCCc3nc(-c4ccccc4)cs3)C2)nn1 96232137 QDNGJULPZRYJTK-QGZVFWFLSA-N 423.542 3.184 0 40 HGAB Cc1ccc(NC(=O)CN2N=N[C@@H]3C(=O)N(c4ccc(C(C)C)cc4)C(=O)[C@@H]32)cc1 101168453 LNSJSJPJXKGNAU-VQTJNVASSA-N 405.458 3.050 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3c4ccccc4C[C@@H]3C)C2)cc1 105033932 ZRJKNGOTMWKYEQ-WMZOPIPTSA-N 414.527 3.074 0 40 HGAB COC(=O)COc1ccc(/C=C2\SC(=O)N(CCOc3ccccc3)C2=O)cc1 106764759 YTCQVZNCVZWGIF-AQTBWJFISA-N 413.451 3.354 0 40 HGAB C[C@@H]1Nc2c(C(N)=O)cnn2[C@H](c2ccc(Cl)cc2)[C@@H]1C(=O)Nc1ccccc1 106937423 DQRUVKHRDSHBAA-JBBXEZCESA-N 409.877 3.294 0 40 HGAB Cc1sc(-c2ccco2)nc1C(=O)N[C@H]1CN(Cc2ccccc2)CC[C@H]1CO 107527301 BJTHURNOIMYEGL-ROUUACIJSA-N 411.527 3.324 0 40 HGAB CCOC(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccc(F)cc1 113877320 BAWBPEYFIDFNGK-UHFFFAOYSA-N 416.268 3.347 0 40 HGAB C[C@H](C(=O)NCCCc1ccc(Cl)cc1)N(c1ccccc1F)S(C)(=O)=O 220313185 BPTZIWOVKBYEDE-CQSZACIVSA-N 412.914 3.383 0 40 HGAB CCOc1ccc(CCCNC(=O)c2cc(N(C)S(C)(=O)=O)ccc2Cl)cc1 222504719 WRYGVEMXQGKBHG-UHFFFAOYSA-N 424.950 3.497 0 40 HGAB COc1ccc(CCNS(=O)(=O)c2ccc3c(c2)CCC(C)(C)O3)cc1OC 223714628 VRSVONFTHKZVIN-UHFFFAOYSA-N 405.516 3.328 0 40 HGAB COc1ccc(OC[C@H](C)NS(=O)(=O)c2ccc(SC)c(NC(C)=O)c2)cc1 224177567 YMYGRYLJUVHNCW-ZDUSSCGKSA-N 424.544 3.121 0 40 HGAB CCCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCC(=O)N2CCOCC2)cc1 225734091 NDGWDXLJLATQQA-JOCHJYFZSA-N 406.523 3.094 0 40 HGAB Cn1cc(C(=O)N2[C@H](c3cccc(C(F)(F)F)c3)C[C@H]3NC(=O)CCCC[C@@H]32)cn1 257219307 DGIWIVILCFXQJX-SQNIBIBYSA-N 420.435 3.454 0 40 HGAB Cc1nn(C)cc1CN1CCO[C@H](c2cc(CCOc3ccccc3Cl)[nH]n2)C1 257307495 SYWKLKFGIBGHMQ-NRFANRHFSA-N 415.925 3.300 0 40 HGAB CCCCN1CCC2(CC1)CN(C(=O)OC)Cc1nnc(-c3ccc(OC)cc3)n12 306132537 LLPRAKNXMKAAQQ-UHFFFAOYSA-N 413.522 3.127 0 40 HGAB COc1ccccc1-c1ccc2c([C@@H]3CN(Cc4ccccn4)CCN3C)nnn2c1 306135363 OOQGAQCULDIUIK-QFIPXVFZSA-N 414.513 3.289 0 40 HGAB CCOC(=O)N1CCN(C(=O)C(=O)c2c(-c3ccc(C)cc3)cc3ccccn23)CC1 408680045 YBDYUYTYUSGKLK-UHFFFAOYSA-N 419.481 3.398 0 40 HGAB Cc1noc(CCCC(=O)N2CCOC[C@H]2c2c(C)nn(Cc3ccccc3)c2C)n1 501249683 UWLSQOXKHGNIBO-FQEVSTJZSA-N 423.517 3.162 0 40 HGAB Cc1cccc(CO[C@H]2CCOC3(C2)CN(C(=O)Cc2ccc4c(c2)CCCO4)C3)n1 575406467 XJZWBSWFNAQYJW-QFIPXVFZSA-N 422.525 3.234 0 40 HGAB COc1ccc(NC(=O)N2CCC(Oc3ncc(Br)cn3)CC2)cc1 1202390225 NEYUVLJEZJQOFW-UHFFFAOYSA-N 407.268 3.323 0 40 HGAB Cc1ncncc1C(=O)N1CCC[C@@H]2[C@H]1CCCCc1ccccc1OCC(=O)N2C 1848357073 ABEHYSIJPBXOLC-NHCUHLMSSA-N 422.529 3.022 0 40 HGAB Cn1c(Sc2ncnc3c2nnn3Cc2ccccc2)nnc1-c1ccccc1 1035494 QSIQBTLCBWIFQG-UHFFFAOYSA-N 400.471 3.216 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)cc1 1359753 NSWGTGIITWDDGC-OAHLLOKOSA-N 417.462 3.453 0 40 HGAB COC(=O)C1=CN(Cc2ccc(OC)cc2)C=C(C(=O)OC)C1c1cccc(O)c1 1459638 LKSJBJLHQRPVFJ-UHFFFAOYSA-N 409.438 3.114 0 40 HGAB CCOc1cc(CO)cc(Br)c1OCC(=O)Nc1ccccc1OC 2554778 KHHIKGGRBJXCMY-UHFFFAOYSA-N 410.264 3.366 0 40 HGAB Cc1cc(C)c2[nH]c(=O)c(CN(CCCO)C(=S)NCCc3ccccc3)cc2c1 4132721 KOMDAZKNWBABQV-UHFFFAOYSA-N 423.582 3.447 0 40 HGAB CCOC(=O)c1c(NC(=O)CCOc2ccccc2)sc2c1CCN(C(C)=O)C2 4275166 LRQVTNVYPQPAEL-UHFFFAOYSA-N 416.499 3.237 0 40 HGAB CCOc1ccc(N2C[C@H](NC(=O)NCc3ccc4[nH]c(C)cc4c3)CC2=O)cc1 4373730 BJKBEHFXJNALPZ-GOSISDBHSA-N 406.486 3.480 0 40 HGAB CCC(=O)Nc1ccc(C(=O)CN2C(=O)N[C@@](C)(c3ccc(Cl)cc3)C2=O)cc1 4468450 PNBVZWRVJJKKGY-NRFANRHFSA-N 413.861 3.338 0 40 HGAB CCC(=O)Oc1c(OC)cc(/C=C2/N=C(c3ccc(OC)cc3)OC2=O)cc1OC 5000713 PIVMEKDJDZQYSW-MHWRWJLKSA-N 411.410 3.372 0 40 HGAB CCN(CC)C(=O)c1ccc(NS(=O)(=O)c2cc(C(=O)O)cc(C)c2C)cc1 5135099 HTCKGVRXMOZWFO-UHFFFAOYSA-N 404.488 3.284 0 40 HGAB O=C(CCCCCN1C(=O)[C@@H]2Cc3ccccc3CN2C1=O)NCc1ccc(F)cc1 5428008 QDALZCZJOCQKSU-NRFANRHFSA-N 423.488 3.391 0 40 HGAB CCOC(=O)CSc1cc(C)n[n+]2cnn(Cc3ccc(Cl)cc3Cl)c12 5458796 BWDPZTXFTSPVJO-UHFFFAOYSA-N 412.322 3.336 0 40 HGAB COC(=O)c1ccc(NC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc1 6153687 PFBISAFAZCNJBD-UHFFFAOYSA-N 411.483 3.221 0 40 HGAB Cc1c(Cl)cccc1NC(=O)CNC(=O)C(=O)Nc1cccc(C(F)(F)F)c1 6418085 WEGPXJNXXONGGP-UHFFFAOYSA-N 413.783 3.361 0 40 HGAB Cc1ccc(NC(=O)Cc2nnc(SCC(=O)Nc3ccc(F)cc3)n2C)cc1 6476973 OLIVZDVEILBPLN-UHFFFAOYSA-N 413.478 3.175 0 40 HGAB COc1ccc2c(C)c(CC(=O)N3CCN(c4ccccc4)CC3)c(=O)oc2c1C 6660448 YKRBOADKGOVPCW-UHFFFAOYSA-N 406.482 3.310 0 40 HGAB O=C(NC[C@@H]1COc2ccccc2O1)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 7058354 CCVAXZSBHZGVNK-SJLPKXTDSA-N 414.889 3.148 0 40 HGAB COc1ccc(NC(=O)CSc2nccn(-c3cccc(C)c3)c2=O)cc1OC 7615771 QZLTUNPXBSBPDB-UHFFFAOYSA-N 411.483 3.289 0 40 HGAB COCCN(Cc1nnc(-c2cccs2)o1)C(=O)/C=C/c1ccc2c(c1)OCO2 8072898 GDENDRJPTFMUBQ-FNORWQNLSA-N 413.455 3.215 0 40 HGAB Cc1c(Cl)c(Cn2cc(S(=O)(=O)N3CCCC3)ccc2=O)nc2ccccc12 8225117 MZTICBYWVWIOGH-UHFFFAOYSA-N 417.918 3.191 0 40 HGAB Cc1ccc(C)c(N(CC(=O)NCCCOC(C)C)S(=O)(=O)c2ccccc2)c1 8369853 RFMCNJIKVAAJSD-UHFFFAOYSA-N 418.559 3.430 0 40 HGAB COc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)N1CCCCCC1 8404970 NEYOCQCGAILRBT-UHFFFAOYSA-N 402.516 3.190 0 40 HGAB COc1cc2c(cc1OC)CN(C(=O)C1CCN(C(=O)c3cccs3)CC1)CC2 8769840 OYFCXRDEOYSRAP-UHFFFAOYSA-N 414.527 3.202 0 40 HGAB O=C(Nc1cccc(N2CCCC2=O)c1)[C@H]1CC(=O)N(Cc2ccccc2Cl)C1 9513881 NPMLBPDDMZJYGU-INIZCTEOSA-N 411.889 3.454 0 40 HGAB O=C(CSc1nncn1-c1ccccc1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 9635445 QAQRARJYQNUAIE-SFHVURJKSA-N 422.510 3.494 0 40 HGAB COc1ccc(C(=O)N2CCN(c3ccc(-c4cccs4)nn3)CC2)cc1OC 9660534 JUPNUGIGTPPVQY-UHFFFAOYSA-N 410.499 3.185 0 40 HGAB Cc1ccc(C)c(S(=O)(=O)NCCOc2ccc(-c3ccc(F)cc3)nn2)c1 9852968 QTAUHIVDAKJWJZ-UHFFFAOYSA-N 401.463 3.257 0 40 HGAB O=c1n(Cc2csc(-c3cccc(Br)c3)n2)nnn1-c1ccccc1 10802113 UJVUUTLLQSVRCJ-UHFFFAOYSA-N 414.288 3.363 0 40 HGAB Cc1ccnc(Nc2ccc(N3CCN(C(=O)Nc4cccc(F)c4)CC3)nn2)c1 11696934 YRJFLUZGXWLAGQ-UHFFFAOYSA-N 407.453 3.417 0 40 HGAB CCc1ccc(N2C[C@H](C(=O)Nc3ccc(N4CCCC4=O)c(OC)c3)CC2=O)cc1 11753092 MSLNMSJUYVBVNT-QGZVFWFLSA-N 421.497 3.376 0 40 HGAB COc1cccc(NC(=O)c2cc(N3C(=O)C(C)(C)CS3(=O)=O)ccc2Cl)c1 12004192 BWQNUMNLERSPNL-UHFFFAOYSA-N 422.890 3.304 0 40 HGAB CCc1cc(O)n2nc([C@H]3CCCN(C(=O)[C@@H](C)Cn4nc(C)c(C)c4C)C3)cc2n1 12134695 ZWIFYTSAJMUKSK-KSSFIOAISA-N 424.549 3.161 0 40 HGAB COc1ccccc1O[C@H](C)C(=O)N1CCC[C@@H](c2noc(-c3cnc(C)cn3)n2)C1 12187758 SXRMGWZLWUDXNL-HZPDHXFCSA-N 423.473 3.017 0 40 HGAB CC(C)c1nccn1CC(=O)N1CCC[C@@H](c2nc3ccccc3cc2C(N)=O)C1 12220564 DCGUQVMWXYLFFY-QGZVFWFLSA-N 405.502 3.060 0 40 HGAB CCOc1cc2c(cc1COC(=O)c1ccccc1NS(C)(=O)=O)O[C@@H](C)C2 12532477 JLVOBUWCAJIDRF-ZDUSSCGKSA-N 405.472 3.137 0 40 HGAB Cn1nnnc1-c1cccc(NC(=O)[C@@H]2CC(=O)N(c3cccc4ccccc34)C2)c1 12734368 YEFKHAYYCCEDAS-QGZVFWFLSA-N 412.453 3.022 0 40 HGAB CC(C)C[C@@H]1NC(=O)N(CN(Cc2nnc(-c3ccc(Cl)cc3)o2)C2CC2)C1=O 12993584 RQRBZAWGSKRQGP-INIZCTEOSA-N 417.897 3.278 0 40 HGAB O=C(Cc1n[nH]c(=O)c2ccccc12)NC[C@@H](c1ccccc1Cl)N1CCCC1 13001546 JOZUWPIWSNXBEX-FQEVSTJZSA-N 410.905 3.072 0 40 HGAB CCc1ccccc1NC(=O)CN(C)C(=O)[C@H]1CCCN(C(=O)c2cccs2)C1 13008885 FEGYEXMOHBNLTO-KRWDZBQOSA-N 413.543 3.260 0 40 HGAB COc1ccc(C2=NO[C@H](CNC(=O)c3ccccc3Br)C2)c(OC)c1 13135788 ZUPGQVHWPNRMPO-ZDUSSCGKSA-N 419.275 3.389 0 40 HGAB CCn1nccc1C(=O)N(CCN1CCOCC1)c1nc2cc(C)c(C)cc2s1 13698799 XPFDXSLRMOMXFN-UHFFFAOYSA-N 413.547 3.109 0 40 HGAB CCN(Cc1ccccc1)C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 14241200 ROEZXQINZQCFPX-SFHVURJKSA-N 404.507 3.275 0 40 HGAB COc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)c1ccc2c(c1)OCCO2 14291346 IRSBJVMHOCHKLS-UHFFFAOYSA-N 423.454 3.193 0 40 HGAB CSc1cccc(N2C[C@@H](C(=O)Nc3ccccc3N3CCOCC3)CC2=O)c1 14870366 PZVZIGFJMYGMCR-INIZCTEOSA-N 411.527 3.237 0 40 HGAB CC(=O)NC(=S)Nc1ccc(NC(=S)NC(=O)c2cc(C)cc(C)c2)cc1 17082017 QIGVOXZQLVTMML-UHFFFAOYSA-N 400.529 3.263 0 40 HGAB C[C@H](OC(=O)c1cc(Cl)c2c(c1)OCCCO2)C(=O)Nc1ccc2c(c1)OCO2 17756875 YSIGXUBUEMKRQV-NSHDSACASA-N 419.817 3.414 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(CCC(=O)Nc2ccc(C(=O)OC)cc2)cc1 18077534 NRVBKFSWPQZORI-UHFFFAOYSA-N 418.515 3.075 0 40 HGAB CC(C)C(=O)N1CCO[C@](Cc2ccc(-c3ccc(F)cc3)cc2)(C(=O)N(C)C)C1 19085778 PXLGYWSLZYKKDS-DEOSSOPVSA-N 412.505 3.377 0 40 HGAB Cc1ccc(C2(O)CCN(Cc3ccc(OCCN4CCOCC4)cc3)CC2)cc1 19208602 LNMAAECLDWHWEZ-UHFFFAOYSA-N 410.558 3.190 0 40 HGAB O=C([C@@H]1CC(=O)N(C2CC2)C1)N1CCC(c2cc3nc(C(F)(F)F)ccc3[nH]2)CC1 19341738 PMHAGVVADWJNSQ-CYBMUJFWSA-N 420.435 3.299 0 40 HGAB COc1ccc([C@@H]2c3nc[nH]c3CCN2C(=O)Cc2ccc3c(c2)C[C@H](C)O3)cc1 19498098 GUJAXUHOOHILNQ-IZHWHUGBSA-N 403.482 3.459 0 40 HGAB CC[C@@H](Cn1nc2c(cc1=O)CCCCC2)NC(=O)Cc1ccc(F)cc1Cl 19520546 PTZURODCETZIKB-KRWDZBQOSA-N 405.901 3.442 0 40 HGAB CCCn1ncc(C(=O)Nc2ccc([C@H]3NC(=O)c4cccnc4N3C)cc2)c1C 19525907 BDOJQLNXQNSCNP-IBGZPJMESA-N 404.474 3.127 0 40 HGAB CCNC(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)CCCN(C(=O)[C@H]2CCCO2)C1 19528474 PNUHHILIPQBDKG-RCZVLFRGSA-N 421.541 3.215 0 40 HGAB Cc1cc(C)nc(N2CCO[C@@H](c3nc(N(C)C)ncc3-c3ccc(F)cc3)C2)n1 19692735 WGZDUOMWXLUMID-LJQANCHMSA-N 408.481 3.333 0 40 HGAB CN(C)c1ncc(-c2cccc(C(N)=O)c2)c([C@H]2CN(CC3CCCCC3)CCO2)n1 19692779 HXICYYGRDNGUGS-OAQYLSRUSA-N 423.561 3.262 0 40 HGAB C[C@H](CN(C)C(=O)c1ccc(=O)n(CC(=O)NC2CCCCC2)c1)c1ccccc1 19749216 VHXVYQXVAAKSES-GOSISDBHSA-N 409.530 3.173 0 40 HGAB O=C(/C(=C\c1ccc(F)cc1)n1ccccc1=O)N1CCN(Cc2ccccc2)CC1 19831713 MYIKNHIYDDVUKC-PTGBLXJZSA-N 417.484 3.330 0 40 HGAB Cc1cc(S(=O)(=O)NC(C)C)ccc1OCC(=O)N[C@H]1CCCc2ccccc21 20021749 ARCDVBGQKJWVDO-FQEVSTJZSA-N 416.543 3.254 0 40 HGAB Cc1ccccc1N(CC(=O)NCCCc1ccc(OC(C)C)cc1)S(C)(=O)=O 22326829 KGDFJHZHYRFSOU-UHFFFAOYSA-N 418.559 3.297 0 40 HGAB COc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(C)cc2C)cc1N1CCCC1=O 22528068 UIFPZPIHPMLWLB-INIZCTEOSA-N 402.516 3.478 0 40 HGAB COc1ccccc1Nc1nc(N)nc(CSc2nccc(C(F)(F)F)n2)n1 22614575 JSDUFXUJRWXEBH-UHFFFAOYSA-N 409.397 3.307 0 40 HGAB O=C(CCOc1cccc(Cl)c1)N1CCN(C(=O)c2ccc(F)c(F)c2)CC1 25008928 LOBKXAMOKVTWOP-UHFFFAOYSA-N 408.832 3.372 0 40 HGAB O=C(NCc1ccc(CN2CCOCC2)cc1)c1nn(-c2ccccc2)c2c1CCC2 28853159 GKJCSYDDTORIQC-UHFFFAOYSA-N 416.525 3.123 0 40 HGAB CN(C(=O)c1ccc(=O)n(CCOc2ccccc2)n1)[C@@H]1CCCc2ccccc21 29258746 KJYDEDQSQRTHGZ-JOCHJYFZSA-N 403.482 3.472 0 40 HGAB COc1ccc(C(=O)N2CCc3sccc3[C@@H]2C)cc1S(=O)(=O)NC(C)C 30549282 VFGJNRPWTWHNKY-ZDUSSCGKSA-N 408.545 3.203 0 40 HGAB Cc1cc(S(=O)(=O)NCc2ccc(-n3ccnc3C)cc2)ccc1N1CCCC1=O 30857088 UQXHHMKIHZAQSQ-UHFFFAOYSA-N 424.526 3.094 0 40 HGAB CC(C)Oc1ccc(NC(=O)[C@@H]2CCN(S(C)(=O)=O)c3ccccc3O2)cc1 30940267 DKTBGHGIUQMJSE-IBGZPJMESA-N 404.488 3.030 0 40 HGAB O=C(Cn1ncc(Cl)c(Cl)c1=O)Nc1cc(C2CC2)nn1-c1ccccc1 31682873 JJMIFWPZZRTSDR-UHFFFAOYSA-N 404.257 3.252 0 40 HGAB O=C(CN1CCN(Cc2csc(-c3ccccc3Cl)n2)CC1)N1CCCC1 32751499 RXKYABPHGHTWEL-UHFFFAOYSA-N 404.967 3.204 0 40 HGAB O=C(NCCCN1C(=O)NC2(CCCC2)C1=O)c1ccc2[nH]c3c(c2c1)CCCCC3 32818098 NSMKKZWXIXRPKD-UHFFFAOYSA-N 422.529 3.421 0 40 HGAB CCN(CC(=O)NC(C)C)C(=O)Cc1csc(COc2ccc(Cl)cc2)n1 32836569 SVAGAMLTYOLIKO-UHFFFAOYSA-N 409.939 3.291 0 40 HGAB CN(C[C@H]1COc2ccccc2O1)S(=O)(=O)c1ccccc1OC(F)(F)F 32895556 BUAUVEMLRACVLK-LBPRGKRZSA-N 403.378 3.046 0 40 HGAB CCCCn1nnc(NC(=S)NC(=O)c2cc(Br)ccc2Cl)n1 33562019 DYEAKASUVIDHLS-UHFFFAOYSA-N 417.720 3.016 0 40 HGAB CC[C@H](C)[C@H](NC(=O)N1CCc2[nH]cnc2[C@@H]1c1ccc(F)c(F)c1F)C(=O)OC 36601716 NAJNDDFNMZKUJN-BMIZZYGASA-N 424.423 3.072 0 40 HGAB CN1CCCN(C(=O)c2ccn(-c3ccc(F)cc3)n2)c2nc3ccccc3nc21 36760329 HHEBZLYXUZFLEJ-UHFFFAOYSA-N 402.433 3.441 0 40 HGAB C[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1 44885872 GZTMJNHBOHEONC-AWEZNQCLSA-N 415.446 3.428 0 40 HGAB O=C(Nc1cccc(-c2nccs2)c1)c1ccc(S(=O)(=O)N2CCCC2)o1 47480866 ZNINRZJHOKOBHH-UHFFFAOYSA-N 403.485 3.440 0 40 HGAB O=C(Cc1csc(Cc2ccccc2)n1)N1CCN(C(=O)N2CCCCC2)CC1 48261258 YCZKQYFQGANTAI-UHFFFAOYSA-N 412.559 3.027 0 40 HGAB CCOC(=O)Cc1csc(NC(=O)Cc2csc(Nc3cc(C)ccn3)n2)n1 49029636 JDROKHWAAVQMBW-UHFFFAOYSA-N 417.516 3.333 0 40 HGAB CN(C)S(=O)(=O)c1ccc(C(=O)N2CCC[C@H](COCc3ccccc3)C2)cc1 49031520 CUWCSPKGXNMPRI-IBGZPJMESA-N 416.543 3.006 0 40 HGAB O=C1C[C@H](c2cccc(Cl)c2)[C@H](n2cncn2)C(=O)[C@@H]1[C@@H]1NCCc2ccccc21 49772131 YACGSFQFKLDZPH-ZDFPQIBNSA-N 420.900 3.302 0 40 HGAB CS(=O)(=O)c1ccc(NC(=O)[C@H]2CCn3c(C(=O)c4ccccc4)ccc32)cc1 51364582 WKDDXVGJYXLGGP-SFHVURJKSA-N 408.479 3.249 0 40 HGAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@H](C)N2CCC[C@@H]2c2ccsc2)c1 52804068 RLFXULZHOGAIOB-SCLBCKFNSA-N 416.499 3.485 0 40 HGAB COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)CNC(=O)C1CCC1)CC2 72280525 LDLIDHIVLZJMDG-NRFANRHFSA-N 414.527 3.156 0 40 HGAB Cc1c(C(=O)N2CCC3(CC2)Nc2ccccc2S(=O)(=O)N3)oc2ccccc12 72325716 XSIGZSRYCPQGNG-UHFFFAOYSA-N 411.483 3.078 0 40 HGAB COc1cccc(CCNC(=O)[C@@H]2C[C@H]3CC[C@@H]2C[C@@]32NC(=O)c3ccccc3N2)c1 72327063 IOZBHVINFLTJKN-ZGHRCLOFSA-N 419.525 3.342 0 40 HGAB Cc1ccc2c(c1)C(=O)C[C@@]1(CCC(=O)N([C@@H](C)C(=O)Nc3nccs3)CC1)O2 72328044 RZTDMDQTBPZNMN-QKKBWIMNSA-N 413.499 3.195 0 40 HGAB COc1cccc(CN2CCC(O)(Cn3ncc4ccc(NC(C)=O)cc43)CC2)c1 72397194 QQPZOKIYRNFQMA-UHFFFAOYSA-N 408.502 3.030 0 40 HGAB COc1ccc(/C=C/C(=O)N2CCOC[C@H]2C[C@@H](O)c2cccs2)cc1OC 79057254 VBZFHVYJVDAWDK-WPLBAPSMSA-N 403.500 3.130 0 40 HGAB Cc1nc(C)c([C@@H](C)NC(=O)C(=O)Nc2cc3c(cc2Cl)OCCCO3)s1 95954155 HZUBBZJVOSECIH-SNVBAGLBSA-N 409.895 3.391 0 40 HGAB CC(C)CS(=O)(=O)C1CCN(C(=O)COc2ccc(Cl)cc2Cl)CC1 96374602 FKRTWANGIAZFTA-UHFFFAOYSA-N 408.347 3.434 0 40 HGAB CCCC(=O)[C@H](CCc1ccccc1)N[C@H](C)C(=O)N1[C@H](C(=O)O)C[C@@H]2CCC[C@@H]21 98087295 UJRWOTKNFKYDQM-GVVDHYSOSA-N 414.546 3.189 0 40 HGAB COC(=O)Cn1/c(=N/C(=O)COc2ccc(Cl)cc2)sc2cc(C)ccc21 100876052 DCKZQTDQTXZLDP-VZCXRCSSSA-N 404.875 3.344 0 40 HGAB C[C@@H]1[C@@H](NC(=O)CSc2nnc(-c3ccc(F)c(F)c3)c(=O)[nH]2)CCC[C@H]1C 104236257 XVTXLINOOZNUIM-ZETOZRRWSA-N 408.474 3.143 0 40 HGAB CN(C)C(=O)[C@@H]1CC[C@@H](NC(=O)OCc2ccccc2)[C@@H](NC(=O)OC(C)(C)C)C1 114443797 BHLRESHKGHNBEV-KURKYZTESA-N 419.522 3.063 0 40 HGAB Cc1ccc(CSCCNC(=O)c2ccc(N(C)S(C)(=O)=O)c(C)c2)cc1 222470409 SSSQXUPWRGCXLD-UHFFFAOYSA-N 406.573 3.362 0 40 HGAB CNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CSCc1ccc(OC)cc1 222780783 BLRIYWMDHLHBHJ-MRXNPFEDSA-N 416.543 3.100 0 40 HGAB COc1ccc(S(=O)(=O)NCc2cccc3ccccc23)cc1C(=O)NC(C)C 222862207 MNPFHBIEZKDJIR-UHFFFAOYSA-N 412.511 3.465 0 40 HGAB COc1ccc([C@@H](CC(C)C)NC(=O)CN(C)S(=O)(=O)c2ccccc2)cc1 223164869 YEMPXTMNZUAYRQ-HXUWFJFHSA-N 404.532 3.219 0 40 HGAB Cc1ccc(N(CC(=O)N[C@@H](C)c2ccc3c(c2)CCC3)S(C)(=O)=O)c(C)c1 223166319 UNMWBPZVZHVTRI-KRWDZBQOSA-N 400.544 3.436 0 40 HGAB COc1ccc(C(=O)NC2CCCC2)cc1CN(c1ccc(F)cc1)S(C)(=O)=O 224755223 IWYZIGGBJLAYFP-UHFFFAOYSA-N 420.506 3.473 0 40 HGAB CS(=O)(=O)N(CCCC(=O)NCCSC1CCCC1)c1ccc(F)c(F)c1 225066808 SOUAPVBJZOHJOT-UHFFFAOYSA-N 420.547 3.303 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)Nc1ccc(F)cc1 225205812 VAWFAMFECZHMBM-UHFFFAOYSA-N 406.479 3.190 0 40 HGAB CCSc1ccccc1NS(=O)(=O)c1nnc(NC(=O)C(C)(C)C)s1 225291987 VALHGOCVRUFLOJ-UHFFFAOYSA-N 400.551 3.436 0 40 HGAB CC[C@@H](NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(C)cc1C 225563615 ZKAHLGLLFBDWNE-OAQYLSRUSA-N 416.543 3.205 0 40 HGAB C[C@@H]1CCCCN1S(=O)(=O)c1ccc(-n2nc3cc(N)c(Cl)cc3n2)cc1 226305651 PZTKJIQBQDRKCX-GFCCVEGCSA-N 405.911 3.219 0 40 HGAB COc1ccc(-c2ccc3nnc(C4CCN(C(=O)c5ccco5)CC4)n3n2)cc1 306126784 FFFNWBZTQUZUOO-UHFFFAOYSA-N 403.442 3.413 0 40 HGAB COc1ccc(CNC(=O)c2ccccc2NC(=O)C(=O)NC2CCC(C)CC2)cc1 408710000 KQSVLZNULGPKKD-UHFFFAOYSA-N 423.513 3.259 0 40 HGAB Cc1cc(C)cc(S(=O)(=O)N2CC3(C[C@H](OCc4cnccc4C)CCO3)C2)c1 575406664 ZOGOHIKNGUSVST-HXUWFJFHSA-N 416.543 3.146 0 40 HGAB C[C@]1(NC(=S)Nc2nc(-c3ccc(Cl)cc3)cs2)CCS(=O)(=O)C1 575425200 QPLYFGIDFSHBGB-HNNXBMFYSA-N 401.966 3.327 0 40 HGAB COCc1c(C(=O)Nc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2C)oc2ccccc12 1116136345 YMMYVAQYTFYOLW-CQSZACIVSA-N 417.487 3.004 0 40 HGAB C[C@@H](NC(=O)N[C@H]1COc2c(F)cc(F)cc2C1)c1ccc2c(c1)CCC(=O)N2 1521205491 GDUOQYZETKUIEG-BDJLRTHQSA-N 401.413 3.213 0 40 HGAB O=C(CN1CC[C@@H]2CN(c3ccccn3)C[C@H]21)N1CCC(Cc2ccccc2)CC1 1889205621 GKZOACNUDTZFII-DHIUTWEWSA-N 404.558 3.073 0 40 HGAB C[C@@H](C(=O)OCC(=O)Nc1cccc2ccccc12)N1C(=O)c2ccccc2C1=O 941640 VXOFSHIXGPNHOO-AWEZNQCLSA-N 402.406 3.006 0 40 HGAB COc1ccc(OC)c(N(CC(=O)NC(C)(C)C)S(=O)(=O)c2ccc(C)cc2)c1 2064769 FJAZYTXLTFXYBX-UHFFFAOYSA-N 420.531 3.122 0 40 HGAB Cc1ccc(Cl)cc1N1CCN(S(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)CC1 2571203 AFRMFWLXYPQQJG-KKSFZXQISA-N 424.994 3.496 0 40 HGAB Cc1c(Br)c(C(F)F)nn1CC(=O)NC1CC(C)(C)NC(C)(C)C1 2780199 FWHUEHWVEAPEOK-UHFFFAOYSA-N 407.303 3.317 0 40 HGAB Cc1ccc(C(=O)OCC(=O)Nc2ccc(I)cc2)s1 3273391 GLXGHDILNDVIBJ-UHFFFAOYSA-N 401.225 3.457 0 40 HGAB COc1ccc(-n2nnnc2SCC(=O)Nc2ccccc2Br)cc1 3517190 HGOODKFSEJUXRQ-UHFFFAOYSA-N 420.292 3.164 0 40 HGAB COc1ccc([C@@H](O)C[C@H]2c3c(cc4c(c3OC)OCO4)CCN2C)cc1OC 4028776 RZTRQDYTALSTEQ-HOTGVXAUSA-N 401.459 3.094 0 40 HGAB biogenic CCc1nnc2sc(-c3ccc(C)c(NC(=S)NC(=O)c4ccco4)c3)nn12 4125371 MMUQGSWBBMAQJO-UHFFFAOYSA-N 412.500 3.443 0 40 HGAB Cc1ccc(C)c(NC(=O)Cn2cnc3c(cnn3-c3cccc(Cl)c3)c2=O)c1 4479110 SQSPRNNZVLXWPG-UHFFFAOYSA-N 407.861 3.491 0 40 HGAB CCOC(=O)c1ccc(N2C(=O)N[C@H]3C[C@]2(C)Oc2ccc(C(=O)OC)cc23)cc1 4852868 YVGYNGCNVSQNNJ-JTSKRJEESA-N 410.426 3.420 0 40 HGAB CS(=O)(=O)N1CCc2cc(-c3csc(NC(=O)c4cccs4)n3)ccc21 4892968 ZOADOICQUCWIAZ-UHFFFAOYSA-N 405.526 3.446 0 40 HGAB O=C(Nc1ccc2c(c1)OCCO2)c1cc2cccnc2n(Cc2ccccc2)c1=O 5304463 ZYPPEOFZFBFERT-UHFFFAOYSA-N 413.433 3.468 0 40 HGAB Cc1nc2ccc(NC(=O)[C@H]3CC(=O)N(c4ccc5c(c4)OCCO5)C3)cc2s1 6839708 IQGZJZSMCOSHOZ-ZDUSSCGKSA-N 409.467 3.368 0 40 HGAB O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)NCc1cccs1 6974930 DUJZQIJLWOJQHL-UHFFFAOYSA-N 404.488 3.399 0 40 HGAB C[C@@H](NC(=O)COC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1)c1ccccc1 8036442 BEVCNPJWOCGFFB-GDBMZVCRSA-N 400.862 3.114 0 40 HGAB COc1ccccc1N1CCN(C(=O)CCNC(=O)c2ccc(C(C)(C)C)cc2)CC1 8200877 ICZKAPUHAJRNKH-UHFFFAOYSA-N 423.557 3.461 0 40 HGAB COc1cc(C(=S)N2CCOCC2)ccc1OCC(=O)Nc1ccccc1C 8571359 MCMBFLPYDYFBSU-UHFFFAOYSA-N 400.500 3.029 0 40 HGAB NS(=O)(=O)c1cc(C(=O)NCCOc2ccc(Cl)cc2)c(Cl)cc1Cl 8867196 HIOMUXADOPTULH-UHFFFAOYSA-N 423.705 3.103 0 40 HGAB O=C(Cc1cn2ccsc2n1)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl 9335355 MQZHVXQPXULZFU-UHFFFAOYSA-N 424.935 3.015 0 40 HGAB CC(=O)Nc1cccc(NC(=O)CSc2nnc3n2CCN3c2ccccc2)c1 9573921 CKWJCAHOKUHGNL-UHFFFAOYSA-N 408.487 3.119 0 40 HGAB O=C(CCC1CCCCC1)N1CCN(c2ncnc3c2nnn3-c2ccccc2)CC1 9823897 MGOICCBBLMMPGT-UHFFFAOYSA-N 419.533 3.220 0 40 HGAB CCc1c(C)sc2nc(S[C@@H]3CCCCNC3=O)n(C[C@@H]3CCCO3)c(=O)c12 10260474 KPSTZQIIJFGXMB-DZGCQCFKSA-N 421.588 3.269 0 40 HGAB CCNC(=O)NC(=O)[C@H](C)Sc1nnc(-c2cc3c(s2)CC[C@@H](CC)C3)n1C 10440252 LAASXCMYNPZPBS-NWDGAFQWSA-N 421.592 3.385 0 40 HGAB COc1ccc(Cl)cc1NC(=O)Cn1nc(-c2cc(C)oc2C)cc(N)c1=O 12146794 ZONRZPVLLRQTTO-UHFFFAOYSA-N 402.838 3.003 0 40 HGAB C/C=C/c1ccc(OC[C@H](O)CN2C(=O)N[C@@](C)(C3CCCCC3)C2=O)c(OC)c1 12853465 BEBYHBBRXFZBAL-RZIHNSIVSA-N 416.518 3.359 0 40 HGAB Cc1ccc(Cl)cc1N([C@H](C)C(=O)Nc1ccc2c(c1)OCO2)S(C)(=O)=O 13681820 MBBWEDTVOYEGFN-GFCCVEGCSA-N 410.879 3.170 0 40 HGAB CS(=O)(=O)Nc1nc2ccc(C(=O)NCCc3c[nH]c4ccccc34)cc2s1 13692326 LENDVCBTSGMVEJ-UHFFFAOYSA-N 414.512 3.122 0 40 HGAB COc1ccc(N(CCC(N)=O)C(=O)/C=C/c2cc(Cl)c3c(c2)OCCO3)cc1 14240496 FIVDMULULQZPQC-FARCUNLSSA-N 416.861 3.042 0 40 HGAB CN(Cc1ccsc1)C(=O)CN1C(=O)N[C@@](C)(c2ccc(C(C)(C)C)cc2)C1=O 18350814 CALHWSCUIMRABO-QFIPXVFZSA-N 413.543 3.471 0 40 HGAB O=C([C@H]1CCOC1)N1CCc2nc(-c3ccncc3)nc(Nc3cccc(F)c3)c2C1 19294002 LUTXOZNBQDAGAY-INIZCTEOSA-N 419.460 3.343 0 40 HGAB O=C(c1c[nH]c(=O)[nH]1)N1CCC[C@H](c2nc(-c3cccs3)cc(C(F)(F)F)n2)C1 19344349 LPVQWHHCYBJNCN-JTQLQIEISA-N 423.420 3.260 0 40 HGAB O=C(c1ccccn1)N1CCc2nc(N3CCCC3)nc(Nc3ccccc3)c2C1 19373014 QQASPFOOLWDPBD-UHFFFAOYSA-N 400.486 3.414 0 40 HGAB CCOc1ccccc1C(=O)N1CCC[C@@H]1c1nc(-c2cccnc2OC)cc(=O)[nH]1 19520071 CDPAIWNJCIXGNJ-GOSISDBHSA-N 420.469 3.217 0 40 HGAB CNC(=O)[C@@]1(Cc2ccccc2-c2ccncc2)CCN(C(=O)Cc2ccccc2)C1 19591508 TXPUCEWGZFRKTQ-AREMUKBSSA-N 413.521 3.499 0 40 HGAB COc1ccc(Cn2nnnc2[C@H](C(C)C)N2CCN(Cc3ccccc3)CC2)cc1 20141353 ZMOFLSJRAVQKCW-QHCPKHFHSA-N 420.561 3.245 0 40 HGAB Cc1cn2c(=O)cc(COC(=O)c3ccc(NC(=O)c4ccco4)cc3)nc2s1 21016939 BRRJTMDGLJFEEE-UHFFFAOYSA-N 409.423 3.267 0 40 HGAB CC(C)N1C(=O)c2ccccc2N2C(=O)CC[C@@]21C(=O)OCc1cccc(F)c1F 21740738 FCWNWVAQTLNXJK-QFIPXVFZSA-N 414.408 3.396 0 40 HGAB Cc1ccc(C)c(OCCC(=O)OCC(=O)N[C@H](c2ccccc2)c2nccn2C)c1 22201848 LTMSDULTACNEQX-HSZRJFAPSA-N 421.497 3.255 0 40 HGAB CCOC(=O)C1CCN([C@H](c2ccco2)c2sc3nc(CC)nn3c2O)CC1 22853577 GSARVXIMJQPYJM-OAHLLOKOSA-N 404.492 3.016 0 40 HGAB COc1cccc(-c2noc(CN3C(=O)COc4cc(Cl)ccc43)n2)c1OC 23126983 VVXQKVXGQHEWBL-UHFFFAOYSA-N 401.806 3.333 0 40 HGAB CCn1nccc1C(=O)N(CCCN1CCOCC1)c1nc2ccc(C)cc2s1 23128224 OWHZMKRHANBNDU-UHFFFAOYSA-N 413.547 3.190 0 40 HGAB O=C(Nc1cccnc1-n1cccn1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 23177302 PWDBAGOJZLRUOX-UHFFFAOYSA-N 409.877 3.412 0 40 HGAB Cc1ccc(NC(=O)c2cc3c(nc4sccn43)s2)cc1S(=O)(=O)N(C)C 23321733 OFQSBDUKUVDMNC-UHFFFAOYSA-N 420.541 3.422 0 40 HGAB O=C1CSc2ccc(C(=O)N3CCN(Cc4nc5ccccc5s4)CC3)cc2N1 23907806 OUWHHKKTBFUFPC-UHFFFAOYSA-N 424.551 3.299 0 40 HGAB CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)N1CCC(c2nnc3ccccn23)CC1 24326508 JASZWNGCUOCJMO-FQEVSTJZSA-N 423.492 3.029 0 40 HGAB CCNC(=O)CNC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccccc1 24925275 OHCXJADLFVYKCX-UHFFFAOYSA-N 413.481 3.013 0 40 HGAB CCn1cc(Cl)c(C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)n1 28222908 VPXZLDNPALICKQ-UHFFFAOYSA-N 411.896 3.066 0 40 HGAB COc1ccc(C)cc1CN(C)[C@@H](C)C(=O)Nc1sc2c(c1C(N)=O)CCC2 29158880 NNJAVYXVBJUJCX-ZDUSSCGKSA-N 401.532 3.112 0 40 HGAB CCS(=O)(=O)N1CCC(C(=O)Nc2ccc(OCC(C)C)c(Cl)c2)CC1 30512555 OCMGMWGBZJGXJR-UHFFFAOYSA-N 402.944 3.375 0 40 HGAB CC(=O)N1CCN(C(=O)CCc2c(C)c3cc4c(C)c(C)oc4c(C)c3oc2=O)CC1 30819254 NZVXBQTYOHDAKZ-UHFFFAOYSA-N 424.497 3.396 0 40 HGAB O=S1(=O)C[C@H]2N=C(SCc3ccccc3F)N(c3ccc(F)cc3F)[C@@H]2C1 32641155 FZHTZNQHFJFACO-NVXWUHKLSA-N 412.458 3.379 0 40 HGAB O=C(c1ccc(-c2ccc(F)cc2)o1)N1CCN(c2nnnn2-c2ccccc2)CC1 32809651 HPHOGOPKFMKBCO-UHFFFAOYSA-N 418.432 3.024 0 40 HGAB COc1ccc([C@@H](CC(=O)OC(C)C)NC(=O)c2ccc(-n3cncn3)cc2)cc1 32820924 KCXMGVIUVUSSQH-HXUWFJFHSA-N 408.458 3.089 0 40 HGAB COC(=O)c1ccc(NC(=O)CSc2nnc3c(n2)[nH]c2ccc(C)cc23)cc1 35312199 DOZJWAVFWZOSQX-UHFFFAOYSA-N 407.455 3.332 0 40 HGAB COc1ccc(-c2nnc3sc(-c4n[nH]cc4Br)nn23)cc1OC 36358795 NHCFJWLZPZVODV-UHFFFAOYSA-N 407.253 3.023 0 40 HGAB CCc1ccccc1NC(=O)CN(C)C(=O)[C@@H]1CCCN(C(=O)Cc2ccccc2)C1 36394311 JXRWRUKPYCOBCT-OAQYLSRUSA-N 421.541 3.127 0 40 HGAB Cc1ccc(S(=O)(=O)NC[C@@H](c2ccsc2)N(C)C)c(Br)c1 45809534 YOSNYRLKJLHUIQ-AWEZNQCLSA-N 403.367 3.400 0 40 HGAB CC(=O)NCc1ccc(C(=O)CSc2nnc(C3CC3)n2Cc2ccco2)s1 48355227 ISBMWSQZQWJOJT-UHFFFAOYSA-N 416.528 3.469 0 40 HGAB Cc1nc(C)c(-c2nnc(NC(=O)c3cccc(S(=O)(=O)C(C)C)c3)o2)s1 49029355 KDKIMWAWZPSLDX-UHFFFAOYSA-N 406.489 3.244 0 40 HGAB Cn1c(CN2CCN(C(=O)c3cc(-c4ccc(F)cc4)n[nH]3)CC2)nc2ccccc21 49372093 ORNGSCPWQINJRK-UHFFFAOYSA-N 418.476 3.061 0 40 HGAB CCN1CCN(c2ccc(N[C@H](C)C(=O)NC(=O)Nc3ccccc3)c(C)c2)CC1 56170347 FCRDOEGBUFIGIT-GOSISDBHSA-N 409.534 3.286 0 40 HGAB O=C(Cn1cnc2c(cnn2-c2ccc(F)cc2)c1=O)Nc1ccc(F)cc1Cl 57486553 ZKBSHCSQDCMKLK-UHFFFAOYSA-N 415.787 3.153 0 40 HGAB CCOC(=O)c1cnn(-c2cc(SCC(=O)Nc3ccc(C)cc3)ncn2)c1C 57522899 GYLDOPBHQHRDMW-UHFFFAOYSA-N 411.487 3.187 0 40 HGAB O=C(NCCSC1CCCC1)Nc1cccc(Cn2nc3ccccn3c2=O)c1 57892730 XCBZLYLFNXHGTM-UHFFFAOYSA-N 411.531 3.342 0 40 HGAB Cc1nc(N2CCN(CC(=O)NC3CC3)CC2)c2c(-c3ccccc3)csc2n1 58158396 PRYQXCCQBDECGP-UHFFFAOYSA-N 407.543 3.067 0 40 HGAB COc1cccc(NC(=O)Cn2cnc3c(-c4cccc(OC)c4)cn(C)c3c2=O)c1 67235462 LLSMVEQZSAQVIV-UHFFFAOYSA-N 418.453 3.058 0 40 HGAB Cc1nc(-c2cccc(F)c2)n(CC(=O)Nc2ccccc2Cl)c(=O)c1CCO 67316672 RAYPIKFVWJMQKC-UHFFFAOYSA-N 415.852 3.185 0 40 HGAB CCn1ccnc1CN1CCN(C(=O)c2cccnc2SC(F)(F)F)C[C@@H]1C 72281485 ZRGPHGKDYCVSBF-ZDUSSCGKSA-N 413.469 3.256 0 40 HGAB CN(CC[C@H]1CCCCN1C)CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1 72305206 YVNSUGAXMHFDBV-MRXNPFEDSA-N 424.471 3.031 0 40 HGAB O=C(CC1CCCC1)Nc1ccc([C@H]2OCC(=O)N(Cc3cccnc3)[C@@H]2CO)cc1 72321254 FTHNWQIMYVHSEW-ZJSXRUAMSA-N 423.513 3.061 0 40 HGAB biogenic,in-vitro CCCN1CCN(Cc2cnn(C)c2)[C@H](Cc2cccc(-c3cccnc3)c2)C1=O 72351751 AMNHKUYYIIWYSN-HSZRJFAPSA-N 403.530 3.148 0 40 HGAB CS(=O)(=O)N1N=C(c2cccc(Br)c2)C[C@@H]1c1ccc2c(c1)OCO2 89484433 FSCYNIYOCPZOMF-OAHLLOKOSA-N 423.288 3.289 0 40 HGAB C[C@@H](CS(C)(=O)=O)N(C(=O)Nc1ccccc1OC[C@@H]1CCCCO1)C1CC1 89904092 ZLSZLNHTBFAZQF-RDJZCZTQSA-N 410.536 3.064 0 40 HGAB O=C(CSc1cc(C(F)(F)F)cc(N2CCOCC2)n1)NCc1ccccc1 91696116 OBLZHOZQWBAAEE-UHFFFAOYSA-N 411.449 3.346 0 40 HGAB CCc1cc2oc(=O)cc(CN3CCC[C@@H](C(=O)N4CCOCC4)C3)c2cc1Cl 95947239 LLGSYLLCXDLXIH-MRXNPFEDSA-N 418.921 3.080 0 40 HGAB O=C(c1ccc(Br)o1)N1CCC(S(=O)(=O)c2ccc(F)cc2)CC1 96099467 LQGUBPAVBNKNNC-UHFFFAOYSA-N 416.268 3.260 0 40 HGAB O=S(=O)(c1ccc(-c2cccc(Cl)c2)cc1)N1CCC(N2CC[C@H](O)C2)CC1 96099732 RXSUKFQLJKHRLA-FQEVSTJZSA-N 420.962 3.227 0 40 HGAB O=S(=O)(NC[C@H]1Cn2c(-c3ccc(Cl)cc3)cnc2CO1)c1ccccc1 96296329 PESGAVFIZHASLV-INIZCTEOSA-N 403.891 3.081 0 40 HGAB biogenic,in-vitro C/C=C/c1ccc(OC[C@H](O)CNC[C@@H](c2ccc(OC)cc2)N(C)C)c(OC)c1 96311026 YSQGJSKNXKXPMX-GYBAZJMSSA-N 414.546 3.369 0 40 HGAB Cc1ccc(N(CN2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@H]3C2=O)C(=O)C(F)(F)F)c(C)c1 100394855 LVXFLKUWBMVGIP-ZJMHZOEWSA-N 418.415 3.209 0 40 HGAB COc1ccc2c(c1)O[C@@]1(C)C[C@H]2[C@H](S(=O)(=O)c2ccc(C)c(C)c2)C(=O)N1C 101626652 OYBBHNSNPLGJCZ-CBQOVEMMSA-N 415.511 3.209 0 40 HGAB COc1ccccc1NC(=O)c1cnn2c1NC(C(=O)O)=C[C@@H]2c1ccc(C)cc1 102820877 RDQZBRACMWTXFX-GOSISDBHSA-N 404.426 3.436 0 40 HGAB CCOc1ccc(/C=C2\SC(=O)N(CC(=O)OC)C2=O)cc1Br 106749726 QRXSIIFVIMTPCW-GHXNOFRVSA-N 400.250 3.057 0 40 HGAB CCSc1ccccc1NC(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O 216294090 ALOHQTUWHOEXBW-UHFFFAOYSA-N 424.544 3.221 0 40 HGAB CS(=O)(=O)N(CC(=O)Nc1ccc(Br)cc1)c1ccc(F)cc1F 220078631 AONOIQAWGSRBLC-UHFFFAOYSA-N 419.247 3.132 0 40 HGAB CC[C@H](C(=O)Nc1cc(C)ccc1OC)N(c1ccc(OC)cc1)S(C)(=O)=O 220643233 DWKDLNGMJVAGPY-GOSISDBHSA-N 406.504 3.196 0 40 HGAB CNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CSCc1ccc(OC)cc1 222400512 KRONUZCDDRZDLE-KRWDZBQOSA-N 400.544 3.400 0 40 HGAB Cc1ccc(-c2nnc(NC(=O)c3cccc(NS(C)(=O)=O)c3C)s2)cc1 222838064 BJOQSZSQIVKXPZ-UHFFFAOYSA-N 402.501 3.446 0 40 HGAB COc1cccc(-c2noc(CN(C)S(=O)(=O)c3ccc(OC)c(C)c3C)n2)c1 223178365 QAKUOGLNHHSRLU-UHFFFAOYSA-N 417.487 3.191 0 40 HGAB CCS(=O)(=O)N(C)c1ccc(C(=O)NCCOc2ccc3ccccc3c2)cc1 223603998 WDYCIVJDFKANNQ-UHFFFAOYSA-N 412.511 3.435 0 40 HGAB Cc1ccc(C(=O)NCCOc2ccc(C(C)(C)C)cc2)cc1N(C)S(C)(=O)=O 223656125 FLECJNDDTBPDGE-UHFFFAOYSA-N 418.559 3.497 0 40 HGAB CN(c1ccc(Cl)c(C(=O)NCc2ccccn2)c1)S(=O)(=O)c1ccccc1 224332644 PIFWPINUQNDQAG-UHFFFAOYSA-N 415.902 3.490 0 40 HGAB CCOC(=O)CN(c1cccc(OCC)c1)S(=O)(=O)c1ccc(OC)c(C)c1 224657137 RDLCNQXBJZPHEC-UHFFFAOYSA-N 407.488 3.161 0 40 HGAB CCOc1ccc(N(CC(=O)N[C@@H](C)C(C)C)S(=O)(=O)c2ccccc2)cc1 225187362 QRMRKVOKWUGRHK-KRWDZBQOSA-N 404.532 3.441 0 40 HGAB COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccn(C)c2)cc1 225229127 WWJMLVXVAHPILW-SFTDATJTSA-N 421.526 3.182 0 40 HGAB CC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3N(C(=O)Cn1cc(C)cn1)[C@@H]2Cc1ccccc1 257204484 AUVDURKALVGBBM-JAWPICGBSA-N 420.557 3.193 0 40 HGAB NC(=O)[C@@H]1CCCN(C(=O)C2(Cc3ccccc3-c3cccs3)CCOCC2)C1 257272263 NBRRJUGVDAELHR-GOSISDBHSA-N 412.555 3.478 0 40 HGAB Cc1cc(-c2ccc(N)nc2)cc([C@@H]2CN(CC(=O)Nc3ccc(F)cc3)CCO2)n1 257284554 PDCVCWQCFAVKHH-NRFANRHFSA-N 421.476 3.185 0 40 HGAB CCS(=O)(=O)N1CCC[C@@H](C(=O)N[C@H](C)c2cc(C(C)C)c(OC)cc2C)C1 260928671 KJAAMQGGQIEIJX-IAGOWNOFSA-N 410.580 3.366 0 40 HGAB COc1ccc2c(c1)[C@H]1[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3[C@H]2N1C(=O)C(C)(C)C 261829876 XCNLNARRXZIKMF-MUGJNUQGSA-N 404.466 3.485 0 40 HGAB CCCCNS(=O)(=O)c1ccc(OCC(=O)N(C)Cc2ccccc2)c(Cl)c1 408619747 IVMCMRHXZYMKJU-UHFFFAOYSA-N 424.950 3.456 0 40 HGAB CC[C@@H](OC(=O)[C@@H]1CC(=O)N(c2ccc(OC)cc2OC)C1)C(=O)c1ccccc1 408654523 QSVVHKQSUCATEL-VQIMIIECSA-N 411.454 3.261 0 40 HGAB CC1CCN(C(=O)c2ccc(N3C(=O)c4nc5ccccc5nc4C3=O)cc2)CC1 408975010 IMJRRNWHMUGGDK-UHFFFAOYSA-N 400.438 3.303 0 40 HGAB O=C(COc1ccc(S(=O)(=O)NCc2ccccc2)cc1)Nc1ccccc1F 409201740 XOSVPAUKSAARDR-UHFFFAOYSA-N 414.458 3.322 0 40 HGAB CCOCCCNC(=O)CN(C1CCCCC1)S(=O)(=O)c1c(C)cc(C)cc1C 409367448 ZSHZYBUHVHCHKH-UHFFFAOYSA-N 424.607 3.478 0 40 HGAB COc1ccc([C@@H]2CN(CC3(O)CCN(c4cccc(F)c4)CC3)CCN2C)cc1 585183495 GXNUALNKFVYZAO-QHCPKHFHSA-N 413.537 3.154 0 40 HGAB COc1ccccc1CNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 791988 PYSFWQWSJOUUKJ-INIZCTEOSA-N 422.934 3.066 0 40 HGAB Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)C(Cl)(Cl)Cl)cc2)n1 1579343 CULAJLAZWLTECE-UHFFFAOYSA-N 423.709 3.203 0 40 HGAB CCC[C@H](NC(=O)[C@H](C)Oc1ccc2c3c(c(=O)oc2c1C)CCCC3)C(=O)O 2118262 ZIJZMHVMJCIGHL-GUYCJALGSA-N 401.459 3.117 0 40 HGAB biogenic Cc1nc2sc3c(c2c2nc(C(=O)NCc4ccccc4)nn12)CC(C)(C)OC3 2350511 MCIZYYVXOFAROK-UHFFFAOYSA-N 407.499 3.429 0 40 HGAB O=C1c2oc3ccccc3c(=O)c2[C@@H](c2cccc(Br)c2)N1CCO 2398769 CZGYDELFDOSRMR-MRXNPFEDSA-N 400.228 3.093 0 40 HGAB COC(=O)c1c(NC(=O)COc2cccc(C)c2)sc2c1[C@H](C(=O)OC)CC2 4038584 ALJFCPFADIJEMB-CYBMUJFWSA-N 403.456 3.063 0 40 HGAB O=C(CSc1nnc(NC(=O)Cc2ccc(F)cc2)s1)Nc1nccs1 4088002 PXDKSOCCRNZVMK-UHFFFAOYSA-N 409.493 3.046 0 40 HGAB CCOc1ccc([C@@H]2CC(c3ccc(OC)c(OC)c3)=NN2S(C)(=O)=O)cc1 4317754 GXRIYAXNTLJCQT-SFHVURJKSA-N 404.488 3.213 0 40 HGAB Nc1cc(=O)nc(SCC(=O)Nc2nc3ccccc3s2)n1-c1ccccc1 4711444 CPBPXSHZVSKIPY-UHFFFAOYSA-N 409.496 3.155 0 40 HGAB Cc1ccccc1NC(=O)CN1C(=O)C(C)(C)Oc2ccc(C(=O)NC3CC3)cc21 4965778 DYWPPFJKSYMFGG-UHFFFAOYSA-N 407.470 3.030 0 40 HGAB O=C(C[C@H]1C(=O)N[C@@H]2CCCC[C@@H]2N1C(=O)Nc1ccccc1)Nc1ccccc1 5041203 SATXACBVRWGJOM-AABGKKOBSA-N 406.486 3.359 0 40 HGAB O=C(COC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)Nc1ccc(Cl)c(Cl)c1 5240380 AMOOMXLNYGQFQP-NSHDSACASA-N 411.241 3.117 0 40 HGAB Cc1cccc2sc(N(CCN(C)C)C(=O)c3ccc(S(C)(=O)=O)cc3)nc12 5242620 QOOWVVOGYUVUCY-UHFFFAOYSA-N 417.556 3.217 0 40 HGAB Cc1ccc(C)c(Cn2c(-c3ccccc3)cn3c4c(=O)n(C)c(=O)n(C)c4nc23)c1 5251881 RBPDVWDEOBUMIT-UHFFFAOYSA-N 413.481 3.019 0 40 HGAB Cc1cc(C)c(NC(=O)[C@@H](C)OC(=O)CCN2C(=O)c3ccccc3C2=O)c(C)c1 5484282 DWZUHETZYNZJFW-MRXNPFEDSA-N 408.454 3.168 0 40 HGAB O=C(/C=C/c1ccc(F)cc1)Nc1ccc(N2CCOCC2)cc1N1CCOCC1 6125355 KFIGZHJNLDEWAS-FPYGCLRLSA-N 411.477 3.151 0 40 HGAB CN(C)S(=O)(=O)c1cccc(C(=O)Oc2ccc(F)cc2Br)c1 7058647 GOMCJMHWBRYKCZ-UHFFFAOYSA-N 402.241 3.058 0 40 HGAB Cc1cc(C)cc(OCCOC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c1 7154678 RFXIMKYLSCWTNL-UHFFFAOYSA-N 403.500 3.324 0 40 HGAB COC(=O)c1ccc2nc(NC(=O)CSc3nc(SC)ns3)sc2c1 9191419 FYXKSPQWIDCKLC-UHFFFAOYSA-N 412.543 3.387 0 40 HGAB C[C@]1(C2CC2)NC(=O)N(CC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)C1=O 9582477 FBVNMHLQPIEMPN-JOCHJYFZSA-N 401.482 3.208 0 40 HGAB CCOc1ccccc1CCCNC(=O)c1ccc(N(C)S(=O)(=O)CC)cc1 10111013 WYVMYMKOGGNRIO-UHFFFAOYSA-N 404.532 3.234 0 40 HGAB COc1ccc(-c2nc3n(n2)[C@@H](C(=O)Nc2ccc(F)c(Cl)c2)CC(=O)N3)cc1 10153471 FXXXSNNQABZPSD-OAHLLOKOSA-N 415.812 3.268 0 40 HGAB COc1ccc(Cc2nnc3sc(-c4ccc5c(c4)OCCO5)nn23)cc1OC 10311845 ARKUTNKREMXLBQ-UHFFFAOYSA-N 410.455 3.232 0 40 HGAB O=C(CN(Cc1ccco1)[C@H]1CCS(=O)(=O)C1)Nc1cccc(Cl)c1Cl 10833960 WPVRMPSQVYGZAI-LBPRGKRZSA-N 417.314 3.214 0 40 HGAB COc1ccc(-c2nc(C)c(C(=O)NCCc3nnc4ccccn34)s2)cc1OC 11547349 QPNKYHBGJPZGHL-UHFFFAOYSA-N 423.498 3.151 0 40 HGAB COc1ccc(CNC(=O)C2CCN(c3nc4ccccc4n3C)CC2)c(OC)c1 12116340 WXTCYQBTVONANM-UHFFFAOYSA-N 408.502 3.123 0 40 HGAB Cc1nc(-c2ccc(CCNC(=O)c3cc(S(N)(=O)=O)ccc3C)cc2)cs1 12621475 AYJKGRPZRMEXOG-UHFFFAOYSA-N 415.540 3.047 0 40 HGAB CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H]2CCCC[C@@H]2C(F)(F)F)c1 12765515 AKHYVLFCMAJLIW-JSGCOSHPSA-N 412.861 3.441 0 40 HGAB Cc1ccc([C@@H](NC(=O)CN2C(=O)NC3(CCCC3)C2=O)c2ccccc2)cc1C 12806924 NHJKDURHPOJSEG-NRFANRHFSA-N 405.498 3.374 0 40 HGAB Cc1ccccc1OCCCC(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1 13005381 TUEWBDFOXLWIDK-UHFFFAOYSA-N 422.572 3.185 0 40 HGAB CCOc1ccc(/C=c2\sc3nnc(-c4ccccc4Cl)n3c2=O)cc1OC 13547069 UCNGSZRWLAPLPE-BOPFTXTBSA-N 413.886 3.426 0 40 HGAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1cc(C(=O)OC)cc(C(=O)OC)c1 14398222 QPMRASORURXOEU-GOSISDBHSA-N 401.415 3.065 0 40 HGAB COc1cc(C[C@@H]2CC(CNCCc3ccc(C)cc3)=NO2)c(OC)c2c1OCO2 15081397 NXZXHNZWSKMPET-LJQANCHMSA-N 412.486 3.261 0 40 HGAB CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)COc1ccc2ccccc2c1 15718120 GAONTQMRTKTNIK-UHFFFAOYSA-N 410.495 3.058 0 40 HGAB CCOc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)cc1 16032268 XQCYCKUWZDMTRX-UHFFFAOYSA-N 424.906 3.012 0 40 HGAB CCN(CC)c1ccc(NC(=O)CN2CCN(c3ccc(C(C)=O)cc3)CC2)cc1 16553714 WLTZHYVBIWIXTM-UHFFFAOYSA-N 408.546 3.496 0 40 HGAB Cc1ccccc1C(=O)N1CCC(C(=O)N[C@@H](C)c2ccc(-n3cncn3)cc2)CC1 18158180 BCGPIKVTQMICHG-SFHVURJKSA-N 417.513 3.305 0 40 HGAB NC(=O)[C@@]1(Cc2ccc(-c3cccs3)cc2)CCCN(C(=O)c2cnccn2)C1 19344553 SFXZLBKASRUUQK-JOCHJYFZSA-N 406.511 3.156 0 40 HGAB O=C1NC2(CCN(C(=O)CCn3ncc4ccccc43)CC2)Nc2ccc(Cl)cc21 19376592 TVXYBISWNSICQG-UHFFFAOYSA-N 423.904 3.254 0 40 HGAB CC[C@@H]1C[C@@H](C(F)(F)F)n2nc([C@@H]3CCCN3S(=O)(=O)N3CCCC3)cc2N1 19500888 FTQJKIMDVLQVQJ-SNPRPXQTSA-N 421.489 3.058 0 40 HGAB Cc1cc(C(F)(F)F)c2c([C@@H]3CCCN(C(=O)C[C@@H](C)n4cncn4)C3)noc2n1 19568610 BHLHTAQEDFCRBN-CHWSQXEVSA-N 422.411 3.499 0 40 HGAB CNc1cc(CNC(=O)[C@H](c2ccccc2)N2CCCC2)nc(-c2cccnc2)n1 19592239 RDZYYOIHCMWBGG-NRFANRHFSA-N 402.502 3.034 0 40 HGAB COc1ccccc1C(=O)N1CCN(C(=O)c2n[nH]c3c2C[C@H](C(C)(C)C)CC3)CC1 19655079 NWNOEHPHQHXEHI-MRXNPFEDSA-N 424.545 3.168 0 40 HGAB CC(C)(C(=O)N1CCO[C@H](c2ccc(-c3cnc(N)nc3)cn2)C1)c1cccc(F)c1 19693567 KMNZCVVZIXBDRC-FQEVSTJZSA-N 421.476 3.138 0 40 HGAB CNc1nc([C@@H]2CCCN2C(=O)CCc2c[nH]c3ccccc23)nc2c1CCN(C)C2 19707509 PBCZJVKJSOKYCT-NRFANRHFSA-N 418.545 3.284 0 40 HGAB CN1CCCCC[C@@H]2N(S(=O)(=O)c3cn(C)cn3)[C@H](c3ccccc3)C[C@@]21C 19713533 CMPHFAFNMBHMEL-ZJOUEHCJSA-N 402.564 3.189 0 40 HGAB COc1cccc2cc(C(=O)Nc3ccc(C)c(S(=O)(=O)N(C)C)c3)c(C)nc12 19715224 PGQSWSZQTISSFU-UHFFFAOYSA-N 413.499 3.363 0 40 HGAB Cc1cc(C(=O)NC[C@@H](c2ccc(Cl)cc2)N2CCOCC2)c2c(C)noc2n1 19715840 USMFRUSRVWGYIF-SFHVURJKSA-N 414.893 3.296 0 40 HGAB COc1cc2c(cc1OC)CN(CC(=O)N[C@H]1CC(C)(C)Oc3ccccc31)CC2 19716666 ZDJPVVMRCBDHKM-IBGZPJMESA-N 410.514 3.481 0 40 HGAB Cc1cccc(NC(=O)COc2ccc(Cl)cc2S(=O)(=O)N2CCCC2)c1 19935243 LAVWKPHLPKMHNV-UHFFFAOYSA-N 408.907 3.450 0 40 HGAB O=C(NCc1ccccn1)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1 20484960 PSPZCFHVFQUMTR-UHFFFAOYSA-N 401.875 3.466 0 40 HGAB COc1ccc(-c2ccc(N3CCC(C(=O)NCc4ccccn4)CC3)nn2)cc1 23143143 FCIOPFKCRWUTDQ-UHFFFAOYSA-N 403.486 3.080 0 40 HGAB COc1cccc(NC(=O)CN(C)C(=O)c2c(C)nn(-c3ccc(F)cc3)c2C)c1 24590793 XRFCEIZAPWIITH-UHFFFAOYSA-N 410.449 3.348 0 40 HGAB CSc1cccc(N2C[C@@H](C(=O)N(C)C[C@@H]3COc4ccccc4O3)CC2=O)c1 24654710 CPEPCBHCLOGLOK-DOTOQJQBSA-N 412.511 3.060 0 40 HGAB COc1cc(OC)c2[nH]c(C(=O)Nc3ccc(N4CCN(C)CC4)cc3C)cc2c1 24839049 NHTPOMRMCJCJGM-UHFFFAOYSA-N 408.502 3.498 0 40 HGAB CCN(CC)[C@H](CNC(=O)c1ccc2c(c1)OCC(=O)N2)c1ccccc1Cl 24986731 SPACSRNDUJLHRQ-GOSISDBHSA-N 401.894 3.484 0 40 HGAB CCN(CC)c1nc(N)c2c(N)nc3c(c2c1C#N)CC(=O)N3c1ccc(Cl)cc1 25248256 PPYBWTPVSKJMEJ-UHFFFAOYSA-N 421.892 3.386 0 40 HGAB COc1ccc(S(=O)(=O)Oc2cccc(I)c2)cc1OC 25651729 CLLBIEJMVFAXCQ-UHFFFAOYSA-N 420.224 3.076 0 40 HGAB COc1ccc(Cl)cc1N1C[C@@H](C(=O)NC[C@H](c2cccs2)N(C)C)CC1=O 27675843 RJHZVYWHWABLPG-XJKSGUPXSA-N 421.950 3.182 0 40 HGAB C[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)c1ccc2c(c1)OCCCO2 32443115 RMPVUOQEUHJVEF-CQSZACIVSA-N 405.472 3.049 0 40 HGAB COc1ccc(NC(=O)C[C@@H](C)NC[C@H](c2cccs2)N2CCOCC2)cc1 32740372 LGGVVJFQBVNWIW-VQIMIIECSA-N 403.548 3.137 0 40 HGAB CCn1c(=O)n(CC(=O)Nc2ccc(-n3cnc4ccccc43)nc2)c2ccccc21 32796685 RWHVYBUNBVOTSX-UHFFFAOYSA-N 412.453 3.196 0 40 HGAB Cc1nn2c(nc(Sc3nnc(SCC(N)=O)s3)c3ccccc32)c1Cl 32853450 MRBWSYHXKUORIP-UHFFFAOYSA-N 422.948 3.424 0 40 HGAB CCCCCn1nc(C(=O)NCc2ccc(NC(N)=O)cc2)c2ccccc2c1=O 32899140 CUFSGBVQTDEIDP-UHFFFAOYSA-N 407.474 3.007 0 40 HGAB CC(=O)Nc1cccc(NC(=O)CSc2nnc3c4ccccc4n(C)c3n2)c1 35312633 FWKBHXQYRSEBQZ-UHFFFAOYSA-N 406.471 3.206 0 40 HGAB CC(C)(C)NC(=O)[C@@H](c1cccnc1)N(CCc1ccccc1)C(=O)c1csnn1 35313136 YTFRQLJVHYBUCB-LJQANCHMSA-N 423.542 3.274 0 40 HGAB C[C@@H](Cn1cccn1)NC(=O)c1cc(C2CC2)nc2c1cnn2-c1ccccc1F 36616201 YZRQENITHHTWHK-AWEZNQCLSA-N 404.449 3.452 0 40 HGAB Cc1cc(C(=O)NCc2cn(-c3ccccc3)nc2-c2ccccc2)n2ncnc2n1 36619020 VXHSIEAGQOPQTL-UHFFFAOYSA-N 409.453 3.215 0 40 HGAB CC(=O)Nc1ccc(CNC(=O)Cc2csc(NC(=O)c3ccoc3C)n2)cc1 40132575 XVJSMURKSMBFMX-UHFFFAOYSA-N 412.471 3.114 0 40 HGAB CCCn1nc(C(=O)Nc2cccc(COc3ccc4c(c3)OCO4)c2)ccc1=O 40145792 ASRVYZILHAXBIM-UHFFFAOYSA-N 407.426 3.213 0 40 HGAB CCCNC(=O)c1ccccc1NC(=O)c1ccc(NS(C)(=O)=O)cc1Cl 44846692 DKMPWCGMKAMNHZ-UHFFFAOYSA-N 409.895 3.104 0 40 HGAB Cc1ccccc1CN1CCC(C(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 44857115 CECULAIUGKRMPU-SFHVURJKSA-N 414.571 3.488 0 40 HGAB Oc1ccc(N2CCN(Cn3nc(-c4ccc5c(c4)OCO5)oc3=S)CC2)cc1 56552611 SRVRZTNIZQYPAF-UHFFFAOYSA-N 412.471 3.087 0 40 HGAB Cc1ccc(Cl)cc1-n1ncc2c(=O)n(CC(=O)Nc3ccccc3F)cnc21 57486468 JPKVPFQZXKUIID-UHFFFAOYSA-N 411.824 3.322 0 40 HGAB CCn1nc(C)c2nc(SCC(=O)Nc3ccccc3)n(Cc3ccco3)c(=O)c21 64817484 MNMGBMLERDZVBP-UHFFFAOYSA-N 423.498 3.293 0 40 HGAB C[C@H]1CCCN(c2nc3ncn(CC(=O)Nc4cccc(Cl)c4)c(=O)c3s2)C1 67226157 KKGQAMMNKMYTFJ-LBPRGKRZSA-N 417.922 3.381 0 40 HGAB Cn1ccnc1CN1CCOC[C@H]1c1nc(-c2ccc(OC(F)(F)F)cc2)c[nH]1 67898722 FNPQKFFEKWWGNE-INIZCTEOSA-N 407.396 3.282 0 40 HGAB biogenic,in-vitro Cc1c(Cl)cccc1NC(=O)C(=O)NC[C@@](O)(c1ccccc1)C(F)(F)F 70636558 RUWOEVGKRJXEJV-QGZVFWFLSA-N 400.784 3.153 0 40 HGAB Cc1cc(=O)oc2cc(OCC(=O)NCCCCCc3nnc4ccccn34)ccc12 72325684 TWJYCBFJCQDVPJ-UHFFFAOYSA-N 420.469 3.052 0 40 HGAB biogenic Cc1cc(N2CCOCC2)nc(C2=CCN(C[C@@H](O)c3ccc(Cl)cc3)CC2)n1 72339610 ZZRFTEGPGNAWLO-HXUWFJFHSA-N 414.937 3.098 0 40 HGAB Cc1c(C(=O)N[C@@H]2Cc3ccccc3[C@H]2O)cnn1-c1ccc(Br)cc1 89544874 BMQUQDLHCYUWPM-RTBURBONSA-N 412.287 3.331 0 40 HGAB COc1c(NC(=O)C[C@@](O)(c2nc3ccccc3s2)C(F)(F)F)c(C)nn1C 95465650 DQZAHKFPDUVMKL-MRXNPFEDSA-N 414.409 3.126 0 40 HGAB COc1cc2c(cc1OC)CN([C@H]1CC(=O)N(c3ccccc3Cl)C1=O)CC2 96305301 OZZIOPVQXZCRGT-KRWDZBQOSA-N 400.862 3.047 0 40 HGAB CCS(=O)(=O)[C@@](Cl)(I)C(=O)c1ccc(Cl)cc1 96518273 CXWZQINXFRMBPF-JTQLQIEISA-N 407.056 3.285 0 40 HGAB CCCCOC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1S(=O)(=O)c1ccc2c(c1)OCCO2 97133659 BKBJDHMCCQWNOZ-NJAFHUGGSA-N 423.531 3.123 0 40 HGAB COc1ccc(CNC(=O)[C@@H]2[C@H]3CC[C@@]4(CC(=O)c5ccccc5O4)[C@@H]32)cc1OC 100124463 NJSSWXZFUOZIBC-DCHFCWSPSA-N 407.466 3.380 0 40 HGAB Cc1cccc2s/c(=N/C(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)n(C)c12 100821253 XLIMTALMZXOLJD-QZQOTICOSA-N 415.540 3.074 0 40 HGAB COc1ccc(-c2nn([C@H]3CC(=O)[C@@H]4OC[C@@H]3O4)c(=S)n2-c2ccccc2)cc1 101624682 CCQGEQHRADNQBZ-XKGZKEIXSA-N 409.467 3.334 0 40 HGAB CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)[C@@H]1[C@@H]2CC[C@H](O2)[C@@H]1C(=O)O 102026201 CULPHZBOVMVYRW-DIECFANBSA-N 415.467 3.409 0 40 HGAB CC[C@H](NC(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C)c1ccc(C)cc1 113947497 JUHYSBJSXOSZDA-SFHVURJKSA-N 407.511 3.014 0 40 HGAB Cc1cc(O)c(C2=Nc3ncnn3[C@H](c3ccc(Br)cc3)C2)c(=O)o1 170625865 WJQYVGYJOBDDMB-ZDUSSCGKSA-N 401.220 3.122 0 40 HGAB CCOC(=O)c1ccc(NC(=O)[C@@H](C)N(c2cccc(F)c2)S(C)(=O)=O)c(C)c1 220484742 AGYHATLUBORTMC-CQSZACIVSA-N 422.478 3.104 0 40 HGAB COC(=O)c1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCO)o2)cc1 223601243 BYWBINNCJHLXOD-UXHICEINSA-N 423.494 3.093 0 40 HGAB COc1cc(OC)c(NC(=O)NCc2nccc(N3CCCCC3)n2)cc1Cl 224162655 CURAGBVDVXIBSB-UHFFFAOYSA-N 405.886 3.459 0 40 HGAB CCOC(=O)c1ccc(N(CC)S(=O)(=O)c2ccc3c(c2)OCCO3)c(C)c1 224844496 JAHKBRAIURUQCE-UHFFFAOYSA-N 405.472 3.158 0 40 HGAB O=C(NC1CCN(Cc2ccccc2)CC1)c1cnc(O[C@H]2CCOC2)c(Cl)c1 253408611 YJLJKYDPMBVRMN-IBGZPJMESA-N 415.921 3.297 0 40 HGAB Cc1nc2ccc(NC(=O)C[C@@H]3CCCN(C(=O)c4ccc(=O)n(C)c4)C3)cc2s1 257342247 ZNTMXRBERVJSRE-HNNXBMFYSA-N 424.526 3.184 0 40 HGAB COc1ccc(-c2ccc3c([C@@H]4CN(C(=O)c5ccco5)CCO4)nnn3c2)cc1 306124936 CCPISJOOHYWZMN-FQEVSTJZSA-N 404.426 3.212 0 40 HGAB COc1ccc(C(=O)N(C)Cc2nnc(-c3ccc(OC)c(OC)c3)o2)c(OC)c1 408714794 WUVFIZHPXNGYRK-UHFFFAOYSA-N 413.430 3.043 0 40 HGAB O=C(N[C@@H]1C(=O)N/[N+](=C\c2ccc(Cl)cc2)[C@@H]1c1ccccc1)c1ccc(F)cc1 409061018 BMOJUHRJCJKIAF-IQUGWNQFSA-O 422.867 3.495 0 40 HGAB Cc1cccc(NC(=O)CSc2nnc([C@H](C)NC(=O)c3ccccc3)n2C)c1 409124265 AWHRLNHRTHDTGH-HNNXBMFYSA-N 409.515 3.345 0 40 HGAB CCC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)NCc2ccccc2)cc1C 409387594 AREPOFDFIGSKPJ-QGZVFWFLSA-N 404.532 3.157 0 40 HGAB O=C(NCc1cc(F)c(C(F)(F)F)cc1F)NC[C@H](O)COc1ccc(F)cc1 512865472 DFFRDTJYDQOXOI-LBPRGKRZSA-N 422.325 3.362 0 40 HGAB O=C(NCc1ccccc1)c1cc(N2CCN(CCOc3ccccc3)CC2)ccn1 519221252 RPPAKJDMVXYZSA-UHFFFAOYSA-N 416.525 3.213 0 40 HGAB CSCC[C@@H](C(=O)Nc1ccc(Cl)cn1)n1c(O)nc2ccccc2c1=O 524733190 DCGJJGSVFJELHU-AWEZNQCLSA-N 404.879 3.083 0 40 HGAB Cc1cc(NC(=O)[C@H]2CCCN(C(=O)NCC(C)C)C2)nn1-c1cccc(F)c1 538433610 NYWVQVMTZXRSTJ-INIZCTEOSA-N 401.486 3.336 0 40 HGAB O=S1(=O)CC[C@H](N(c2ccccc2)S(=O)(=O)c2ccc3ccccc3c2)C1 575421274 ISZNZBCVFUWONR-IBGZPJMESA-N 401.509 3.222 0 40 HGAB CC(=O)N1CCCC[C@H]2N(CC3(O)CCN(c4ccccc4F)CC3)CCC[C@@]21C 585262860 MILRQWXVUKLGCM-PKTZIBPZSA-N 417.569 3.413 0 40 HGAB CC(C)C[C@H]1COc2ccccc2C(=O)N(C)CCCCN1C(=O)c1ccncn1 643564120 LGQFILPOYCIZNO-SFHVURJKSA-N 410.518 3.278 0 40 HGAB CN(C(=O)c1cncc(N2CCCC2)n1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O 1633247288 WSIYFPIVIAVPOI-SJLPKXTDSA-N 407.301 3.114 0 40 HGAB O=C(NCc1noc([C@@H]2CCC(=O)N2Cc2ccccc2)n1)Nc1ccc(F)cc1 1775963747 BGJUQOCLEVCPRP-KRWDZBQOSA-N 409.421 3.394 0 40 HGAB biogenic,in-vitro Cc1nc2ncnn2c(N2CCN(c3cc(C(C)(C)C)nc(C4CC4)n3)CC2)c1C 1888890630 UBPLFXZGSMGAMP-UHFFFAOYSA-N 406.538 3.033 0 40 HGAB O=S(=O)(c1c(F)cccc1F)N1CCC[C@@](O)(COc2ccc(F)cc2)CC1 2037912045 DQTMOODTGMTHEG-IBGZPJMESA-N 415.433 3.089 0 40 HGAB O=C1CO[C@]2(CCN(Cc3cnc(-c4ccccc4)nc3)C2)CN1c1cccc(F)c1 2037989100 VQMHWQBDXTXGHS-DEOSSOPVSA-N 418.472 3.291 0 40 HGAB CC(=O)c1ccc(N(CN2C(=O)c3ccc(Br)cc3C2=O)C(C)=O)cc1 710931 JDMRNIKXPQYDOA-UHFFFAOYSA-N 415.243 3.258 0 40 HGAB O=C(NC[C@H]1CCCO1)c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1 780544 WJORMUYJKBWZLY-NFBKMPQASA-N 410.539 3.412 0 40 HGAB COc1ccc(OCC(=O)Nc2ccc3nn(-c4ccc(OC)cc4)nc3c2)cc1 1410560 KOPICZOAYBFUMG-UHFFFAOYSA-N 404.426 3.455 0 40 HGAB COC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 2278446 UPROUBUGGMPZSI-LYPXWFNGSA-N 424.909 3.062 0 40 HGAB CC(C)Sc1nc2sc3c(c2c2nnc(SCC(N)=O)n12)CC(C)(C)OC3 2416149 IGIBEGBHXIVQTQ-UHFFFAOYSA-N 423.589 3.268 0 40 HGAB Cc1cc(C)c(NC(=O)c2ccc3c(c2)SC2=NS(=O)(=O)CCN23)c(C)c1 2633357 MZGMAMOUFCODEJ-UHFFFAOYSA-N 401.513 3.476 0 40 HGAB CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)COc1ncnc2sccc12 3410614 GXWUVWFAMVQAFC-UHFFFAOYSA-N 424.404 3.186 0 40 HGAB O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)NCc1ccc(Cl)cc1Cl 3463768 OIRFVYPOSHOFNL-FQEVSTJZSA-N 418.280 3.003 0 40 HGAB COc1ccc2[nH]c3c(c2c1)CCN1C(=O)CN([C@@H](C)c2ccccc2)C(=O)[C@]31C 4073295 BWBUFHYNUAEQPI-OWJWWREXSA-N 403.482 3.380 0 40 HGAB biogenic Cc1cc(C)c(NC(=O)Cn2c(=O)n(Cc3ccco3)c(=O)c3ccccc32)c(C)c1 4111237 RRHWWTWOIXQBTE-UHFFFAOYSA-N 417.465 3.368 0 40 HGAB CCc1ccc(O[C@@H](C)C(=O)N(Cc2ccccc2)[C@H]2CCS(=O)(=O)C2)cc1 4182888 QZTVWMAACNNMCT-PXNSSMCTSA-N 401.528 3.232 0 40 HGAB O=C(Nc1nc2c(F)cccc2s1)c1ccc(S(=O)(=O)N2CCCC2)cc1 4264234 XFOCYGWATKTIGA-UHFFFAOYSA-N 405.476 3.472 0 40 HGAB CC(=O)Oc1cccc(/C=c2\sc3nc(/C=C/c4ccc(C)cc4)nn3c2=O)c1 4318629 NFCITMCMAAGFCT-SOXNPBTNSA-N 403.463 3.103 0 40 HGAB Cc1ccc(NC(=O)[C@@H]2CCCN(c3c4c(nc5ncnn35)CCC4)C2)cc1Cl 4898178 JQQJXWNJHPHVSH-CQSZACIVSA-N 410.909 3.430 0 40 HGAB COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc(Cl)c2Cl)cc1 6356957 LXNDQFAFSGPSPX-UHFFFAOYSA-N 403.287 3.261 0 40 HGAB Cc1ccc(Cn2c(=O)c3c(nc4n3CCN4c3cc(C)cc(C)c3)n(C)c2=O)cc1 6749062 VEBFTRNUSHQGNV-UHFFFAOYSA-N 415.497 3.022 0 40 HGAB O=C(Nc1cccc(Cl)c1)[C@@H]1[C@@H]2C=C[C@@]3(CN(CCc4ccccc4)C(=O)[C@H]13)O2 6759798 NXSSGYPVVHRRQW-SRYPRDQNSA-N 408.885 3.303 0 40 HGAB CN(C[C@H]1COc2ccccc2O1)C(=O)CCC(=O)c1ccc2c(c1)OCCCO2 6880060 UXIPIWGNURISIY-KRWDZBQOSA-N 411.454 3.109 0 40 HGAB COc1cc(CNCc2ccc3c(c2)OCO3)ccc1OCC(=O)NC(C)(C)C 6882461 XECRLQRXDZSPNG-UHFFFAOYSA-N 400.475 3.007 0 40 HGAB CCCCNc1nnc(S[C@@H](C)C(=O)c2ccc(NS(C)(=O)=O)cc2)s1 6981044 ZXBXVXPBMRLYAM-NSHDSACASA-N 414.578 3.485 0 40 HGAB COc1cc(/C=C/C(=O)O[C@H](C)C(=O)Nc2ccc(C)c(F)c2)cc2c1OCCO2 7872945 BOKGBMPMWXVKIH-HZRUHFOJSA-N 415.417 3.498 0 40 HGAB O=C(Cn1cnc2scc(-c3cccs3)c2c1=O)NCCOc1ccccc1 8230821 DENDLCVTTAEXSZ-UHFFFAOYSA-N 411.508 3.382 0 40 HGAB O=C(Nc1ccc(S(=O)(=O)NCc2cccnc2)cc1F)c1ccc(F)cc1 8810812 FIRZJHKTBUQQMC-UHFFFAOYSA-N 403.410 3.091 0 40 HGAB CCOC(=O)c1ccc(NC(=O)COc2cc(O)c3c(c2)OC(C)(C)CC3=O)cc1 9053545 MIDDALAXHIAZBB-UHFFFAOYSA-N 413.426 3.330 0 40 HGAB Cn1c(SCCCn2c(=O)[nH]c3ccccc32)nnc1[C@@H]1COc2ccccc2O1 9171350 VKJZJLZKKCCDMY-SFHVURJKSA-N 423.498 3.153 0 40 HGAB CC1CCN(C(=O)[C@H](C)OC(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)CC1 9182883 YODUYALJRHFRRT-FUHWJXTLSA-N 420.937 3.382 0 40 HGAB COc1ccc([C@H]2Nn3c(C)nnc3S[C@H]2C(=O)N2CCCCCC2)cc1Cl 9238637 UGCLOMRSUCRECM-IAGOWNOFSA-N 421.954 3.410 0 40 HGAB CC(=O)N[C@]1(CC(=O)Nc2ccc(C(C)=O)cc2)C(=O)N(C(C)C)c2ccccc21 9305535 YLKYELMWTVCYIZ-QHCPKHFHSA-N 407.470 3.004 0 40 HGAB O=C(NCc1ccccc1Cl)C(=O)NC[C@H](c1ccco1)N1CCc2ccccc21 9708713 UOUXIFLKPCODBI-HXUWFJFHSA-N 423.900 3.469 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccccc3SC)C2)cc1 9974507 XKCWJKGUYVEAIT-OAHLLOKOSA-N 420.556 3.457 0 40 HGAB COC(=O)c1ccccc1NC(=O)[C@H](C)N(c1cc(Cl)ccc1C)S(C)(=O)=O 10433883 PYSAZCJGXUPJTR-ZDUSSCGKSA-N 424.906 3.228 0 40 HGAB CCn1c(NC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)nc2ccccc21 10652228 KFQBBMKRAWBEOU-UHFFFAOYSA-N 424.482 3.380 0 40 HGAB CC(C)N1C(=O)c2ccccc2N2C(=O)CC[C@]21C(=O)OC[C@H]1CC1(Cl)Cl 11447629 QZYMQOWVMNHHTO-CWTRNNRKSA-N 411.285 3.111 0 40 HGAB Cc1cc(NC(=O)COC(=O)COc2c(C)cccc2C)n(-c2ccc(F)cc2)n1 12037534 MSJIHEPRECNKQA-UHFFFAOYSA-N 411.433 3.497 0 40 HGAB Cc1ccc2cc(C(=O)N3CCC([C@H]4Nc5ccccc5S(=O)(=O)N4)CC3)[nH]c2c1 12089469 ZESQJRSJLPWTAE-NRFANRHFSA-N 424.526 3.059 0 40 HGAB C[C@@H](Sc1ccccc1)C(=O)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C 12936452 OZSZFFWFLIZVQY-HZPDHXFCSA-N 411.527 3.390 0 40 HGAB CCC(CC)C(=O)N1CCC(c2nc(O)c3nnn(Cc4ccccc4)c3n2)CC1 13083257 PXUFQCUYTNCNII-UHFFFAOYSA-N 408.506 3.117 0 40 HGAB CN(C)[C@H](CNC(=O)COc1ccc2c3c(c(=O)oc2c1)CCC3)c1cccs1 14080865 KRVSVJSOHMMANT-GOSISDBHSA-N 412.511 3.141 0 40 HGAB O=C(CCNS(=O)(=O)c1cccc(C(F)(F)F)c1)NCc1ccc(Cl)cc1 14226749 KRRIIVOXUGIGEZ-UHFFFAOYSA-N 420.840 3.344 0 40 HGAB O=C(CN1CCC(C(=O)Nc2ccccc2O)CC1)NCc1ccc(Cl)cc1 15042178 WTTBHIHROTVQLW-UHFFFAOYSA-N 401.894 3.013 0 40 HGAB O=C(CN1c2cccc3cccc(c23)S1(=O)=O)NCCc1c[nH]c2ccccc12 15514495 MUHRKOGSOQNQHM-UHFFFAOYSA-N 405.479 3.189 0 40 HGAB O=C(COC(=O)c1cc(=O)[nH]c2ccccc12)Nc1ccc(OC(F)(F)F)cc1 16050745 QRBFQCHRPKYGMP-UHFFFAOYSA-N 406.316 3.222 0 40 HGAB Cc1ccc(NC(=O)C(=O)NCCCN2CCO[C@@H](c3ccccc3)C2)cc1Cl 17120508 SCQLSVAJRYDKOH-HXUWFJFHSA-N 415.921 3.167 0 40 HGAB CN(Cc1ccccc1)C(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1 17334172 VJQMDQPRVVSQDI-UHFFFAOYSA-N 400.544 3.452 0 40 HGAB Cc1nn(Cc2ccccc2)c(C)c1CN(CCN1CCOCC1)Cc1cccnc1 19578320 HNBHYEKQJJZKKA-UHFFFAOYSA-N 419.573 3.278 0 40 HGAB O=S(=O)(NC[C@H](c1ccccc1)N1CCCCC1)c1ccc2oc(O)nc2c1 19662923 XUOZFUUZYOQFAP-GOSISDBHSA-N 401.488 3.039 0 40 HGAB CN(C)[C@H](C(=O)Nc1ccc(N2CCCS2(=O)=O)cc1)c1ccc(Cl)cc1 19664584 OAAYCLNLRMIPBM-SFHVURJKSA-N 407.923 3.121 0 40 HGAB CCc1nc2ccccc2n1C[C@H](C)C(=O)N1CCCN(Cc2ccccn2)CC1 19714025 PTJZMRDDHJJZPZ-IBGZPJMESA-N 405.546 3.364 0 40 HGAB CNC(=O)c1cc([C@@H]2CCN(C(=O)Cc3ccc(OC)cc3)C2)nc2ccccc12 19754667 GUWNFJNIPKJNKQ-QGZVFWFLSA-N 403.482 3.162 0 40 HGAB CC(C)NS(=O)(=O)c1ccc(OCC(=O)N[C@H](C)c2ccc(Cl)cc2)cc1 20018827 HIMZLLUVOUTARO-CQSZACIVSA-N 410.923 3.283 0 40 HGAB COc1ccc(C(=O)N[C@@H]2CCCc3ccccc32)cc1S(=O)(=O)NC(C)C 20024706 JJFXDEHMTNALQV-GOSISDBHSA-N 402.516 3.189 0 40 HGAB CC[C@@H](CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)noc2C)C1)c1ccccc1 21840707 NPLCNRXUULGKEM-PKOBYXMFSA-N 419.547 3.002 0 40 HGAB COC(=O)C1=C(CSc2nnc(C)s2)N(C2CC2)C(=O)N[C@H]1c1ccccc1 23043417 DQMQQTSAWBWATG-INIZCTEOSA-N 416.528 3.295 0 40 HGAB O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1CN(Cc1ccncc1)C1CC1 23909173 SNRLMKXNCAIBJX-UHFFFAOYSA-N 412.493 3.499 0 40 HGAB CCCN(Cc1ccccc1)C(=O)c1cc(C2CC2)nc2c1c(=O)[nH]c(=O)n2CCC 24443396 ZOKMDSVJVVPLAV-UHFFFAOYSA-N 420.513 3.425 0 40 HGAB C[C@@H](C(=O)N1c2ccccc2NC(=O)C1(C)C)N1CCN(Cc2ccsc2)CC1 25065808 IIRBNNBAJYOHFE-INIZCTEOSA-N 412.559 3.018 0 40 HGAB CNCCN1C(=O)[C@@H](OC(C)=O)[C@@H](c2ccc(OC)cc2)Sc2ccccc21 26979254 YOMLDISQSWWYOT-VQTJNVASSA-N 400.500 3.026 0 40 HGAB biogenic O=C(OCc1cc(Cl)c2c(c1)OCCCO2)c1cccnc1N1CCOCC1 28448947 HGDQCNWFVWXFTF-UHFFFAOYSA-N 404.850 3.090 0 40 HGAB Cc1ccc(C)c(-c2csc(NC(=O)C3=NN(c4ccccc4)[C@@H](C(N)=O)C3)n2)c1 30564850 FCAMNKHVIKMOKU-LJQANCHMSA-N 419.510 3.486 0 40 HGAB COc1ccc(-c2csc3c2c(=O)n(C)c(=O)n3CC(=O)Nc2ccccc2)cc1 32093304 BKRREEHIIDATLO-UHFFFAOYSA-N 421.478 3.076 0 40 HGAB CCN1CCN([C@@H](C(=O)O)c2c[nH]c3cc(NC(=O)c4ccccc4)ccc23)CC1 32096284 HIPPLIFOQXPMBC-OAQYLSRUSA-N 406.486 3.183 0 40 HGAB O=C(Cc1csc(-c2ccsc2)n1)N(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 32747512 JAIBCXXMKNYVCD-OAHLLOKOSA-N 422.553 3.223 0 40 HGAB CC(=O)Nc1cccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(C)s2)c1C 32753736 MOUYSHDCNIRLOI-QGZVFWFLSA-N 421.544 3.115 0 40 HGAB COc1ccc(-c2noc(CCC(=O)N[C@@H](C)c3nc4ccccc4[nH]3)n2)cc1OC 32768742 XAKDCPSEQVLMPD-ZDUSSCGKSA-N 421.457 3.440 0 40 HGAB Fc1ccc2c(c1)ncn2C1CCN(Cc2nnnn2CCc2ccccc2)CC1 35312064 YZFUZMCVMKBZSL-UHFFFAOYSA-N 405.481 3.242 0 40 HGAB O=C1C[C@H](C(=O)N(C2CCCC2)[C@@H](C(=O)NC2CCCC2)c2ccccn2)CS1 35314028 BUPRPMDQYJWFGE-MGPUTAFESA-N 415.559 3.232 0 40 HGAB C[C@]1(C(=O)Nc2ccccc2OCCN2CCCCCC2)CC(=O)N2C=CC=CC2=N1 35316642 UVDQMMYXCKWWSG-XMMPIXPASA-N 422.529 3.353 0 40 HGAB Cc1cccc(C(=O)Nc2nnc(SCc3cc(=O)n4oc(C)cc4n3)s2)c1 35426822 JHQUNUQJHNFIRV-UHFFFAOYSA-N 413.484 3.300 0 40 HGAB CN(C)CCN/C=C1\C(=O)N(c2cccc(C(F)(F)F)c2)C(=O)c2ccccc21 36264087 FJIHEJGTUMRLHA-AQTBWJFISA-N 403.404 3.385 0 40 HGAB CC(C)(C)c1ccc(C(=O)NCC(=O)Nc2ccc(NC(=O)[C@@H]3CCCO3)cc2)cc1 40072041 NOPURCQYNYSKAA-FQEVSTJZSA-N 423.513 3.470 0 40 HGAB O=C(NCc1nnc2n1CCC2)c1cnn(-c2cccc(C(F)(F)F)c2)c1C1CC1 40079945 NTKUIYUJKNLQGP-UHFFFAOYSA-N 416.407 3.236 0 40 HGAB CN(C)C(=O)c1ccc(CNC(=O)c2nn(-c3ccc(F)c(F)c3)c3c2CCC3)cc1 40141808 DNSAFPBBZKBIGP-UHFFFAOYSA-N 424.451 3.271 0 40 HGAB O=C(CCC(=O)N1CCN(c2cccc(Cl)c2)CC1)Nc1ccc2c(c1)OCO2 40268388 OMZSRZYGYUVGSJ-UHFFFAOYSA-N 415.877 3.136 0 40 HGAB COCc1nn2c(ncc3c(=O)n(C(C)(C)CO)ccc32)c1-c1ccc(Cl)cc1 40397750 HETUFHLQHSXQIH-UHFFFAOYSA-N 412.877 3.238 0 40 HGAB Cc1cc(CN2CCC(CNC(=O)C(=O)NCc3ccccc3Cl)CC2)c(C)o1 43941121 AWJSTPPVDRPEFQ-UHFFFAOYSA-N 417.937 3.194 0 40 HGAB COc1cccc([C@H](CNS(=O)(=O)c2ccccc2Br)N(C)C)c1 47032899 XITQXXCGGRYNHV-INIZCTEOSA-N 413.337 3.039 0 40 HGAB O=S(=O)(NCc1ccc(Cn2ccnc2)cc1)c1ccccc1Br 54534197 WJHBVRUOTGZTBZ-UHFFFAOYSA-N 406.305 3.172 0 40 HGAB O=S(=O)(N[C@H]1CCCC[C@@H]1N1CCN(c2ccccc2F)CC1)c1ccccc1 58085811 DOPYBUKPRYMXNB-UNMCSNQZSA-N 417.550 3.237 0 40 HGAB CCN(CC)[C@@H](CNC(=O)N1CCC(C(=O)Nc2ccccn2)CC1)CC(C)C 58161814 XWFCYBOLOOXYSF-LJQANCHMSA-N 403.571 3.198 0 40 HGAB O=C(CN1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1)N1CCCC1 58171287 LRSYLYQWQBSDGV-UHFFFAOYSA-N 407.543 3.103 0 40 HGAB Cc1ccc2c(c1)N(S(C)(=O)=O)CC[C@@H](C(=O)Nc1ccc(OC(C)C)cc1)O2 64988702 BJUZJBGOFOJDDM-FQEVSTJZSA-N 418.515 3.338 0 40 HGAB COc1cccc([C@H](NC(=O)c2ccc(-c3cccs3)[nH]c2=O)c2nccn2C)c1 65519112 ZFXQTWYNZAZFQS-IBGZPJMESA-N 420.494 3.365 0 40 HGAB COc1cccc2sc(N(C)CC(=O)Nc3ccc(N4CCOCC4)cc3)nc12 70973441 MASAWDUBQXCTBP-UHFFFAOYSA-N 412.515 3.216 0 40 HGAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c2c1[C@H](c1cccc(OC(F)F)c1)CC(O)=N2 71280301 SZCAGBNIKIEPSJ-OCCSQVGLSA-N 411.430 3.276 0 40 HGAB CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)Nc3c(-c4ccccc4)cnn32)cc1 71285505 HREMGDIYIXNOLT-GOSISDBHSA-N 404.426 3.249 0 40 HGAB CCOP(=O)(OCC)c1ccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)O)cc1 71788059 YIIIAFPKBOKZSW-HNNXBMFYSA-N 401.396 3.098 0 40 HGAB COC(=O)COc1ccc([C@H]2CC(O)=Nc3c2cnn3Cc2ccco2)cc1OC 72403753 OYLZUJUQQZGUMP-OAHLLOKOSA-N 411.414 3.208 0 40 HGAB Cc1cc(C)c(NC(=O)CNC(=O)CN2Cc3ccccc3N(C)C[C@@H]2C)c(C)c1 79051210 SBTWIAKXOGGSHU-IBGZPJMESA-N 408.546 3.007 0 40 HGAB CC(C)OC(=O)[C@H](C)N(C)c1cnn(-c2ccc(C(F)(F)F)cn2)c(=O)c1Cl 84621830 PHMZFLYIUHZAEG-JTQLQIEISA-N 418.803 3.076 0 40 HGAB CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C(=O)Nc2cnn(-c3ccccc3F)c2)O1 89662562 WFGAURRQVUDMAN-RHSMWYFYSA-N 404.442 3.022 0 40 HGAB CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@]12NC(=O)N(Cc1cccnc1Cl)C2=O 95405530 ADBHLNSIHWTNQF-VBKZILBWSA-N 422.913 3.241 0 40 HGAB Cc1ccc(Cn2nccc2NC(=O)C(=O)NCCc2c[nH]c3cccc(C)c23)s1 97020331 PAXWZNNWTYXNTR-UHFFFAOYSA-N 421.526 3.388 0 40 HGAB COc1cc(CN2[C@@H]3CC[C@@H]2CC(O)(c2ccc(F)cc2)C3)ccc1OCCO 100727124 SJMOLUVILMRCID-WOJBJXKFSA-N 401.478 3.220 0 40 HGAB C[C@@H]([C@@H]1C[C@H]2CC[C@H]1C2)N1C(=O)C(=O)N(CC(=O)Nc2ccc(F)cc2Cl)C1=O 104673211 FBHAHLLMZDWJOM-MNXVOIDGSA-N 421.856 3.033 0 40 HGAB CC[C@@H](NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C)c1ccc(C)cc1 113946674 PUHWVUOVTIFLKN-LJQANCHMSA-N 407.511 3.014 0 40 HGAB COc1ccc(CNC(=O)c2cccc(S(=O)(=O)N3CCC(C)CC3)c2)cc1 113957380 RLONTMWXBUCSRW-UHFFFAOYSA-N 402.516 3.046 0 40 HGAB CC[C@H](C(=O)N[C@H](C)c1ccc(OC)cc1)N(c1cccc(C)c1)S(C)(=O)=O 220521506 ZRYDFZGIKSDNAA-OXQOHEQNSA-N 404.532 3.426 0 40 HGAB COCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1Cc1cccnc1 223045991 KXICSNAWCRUTQQ-SFTDATJTSA-N 407.543 3.335 0 40 HGAB CCOc1ccc(CNS(=O)(=O)c2cc(Br)ccc2OC)cc1 223084014 HSYPGCPUXSGCCA-UHFFFAOYSA-N 400.294 3.335 0 40 HGAB CN(C)CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1cccnc1 223212675 JNNWRZLVDBMYOS-NHCUHLMSSA-N 406.559 3.192 0 40 HGAB CCOc1ccc(-c2noc(CN(C)S(=O)(=O)c3ccc(OC)c(C)c3)n2)cc1 223579315 BWYKLZCAKZKICJ-UHFFFAOYSA-N 417.487 3.273 0 40 HGAB COc1ccc(S(=O)(=O)N(C)Cc2ccc(SC)cc2)cc1C(=O)NC(C)C 223882807 NTEYPQHXDSNGAD-UHFFFAOYSA-N 422.572 3.376 0 40 HGAB Cn1c(=O)sc2cc(NC(=O)c3ccccc3I)ccc21 225023398 FHRKIHPBSPLQSO-UHFFFAOYSA-N 410.236 3.457 0 40 HGAB CNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)COc1ccccc1F 225494831 XQUPKEJUQOQBTD-ZDUSSCGKSA-N 423.282 3.130 0 40 HGAB O=C(Cn1ccc(=O)c2ccccc21)Nc1ccc(I)cc1 225718841 BBVHEJCWUYISNH-UHFFFAOYSA-N 404.207 3.245 0 40 HGAB COC(=O)c1ccccc1NC(=O)Cn1ccc(=O)c2ccc(Br)cc21 225740629 ICHPCASIGSNMBC-UHFFFAOYSA-N 415.243 3.189 0 40 HGAB CC(C)NC(=S)Nc1nc(Sc2ncccn2)cc(N2CCC[C@@H](C)C2)n1 225888976 QTZBPAFETGFYRK-CYBMUJFWSA-N 403.581 3.349 0 40 HGAB Cc1cc(N)c(NC(=O)c2cccc(Br)c2)cc1N1CCN(C)CC1 226331045 KAPUMZKQXAPQES-UHFFFAOYSA-N 403.324 3.344 0 40 HGAB COc1ccccc1-c1ccc2c([C@H]3CN(Cc4ccccn4)CCN3C)nnn2c1 306135362 OOQGAQCULDIUIK-JOCHJYFZSA-N 414.513 3.289 0 40 HGAB O=C(NCC1CCOCC1)c1nc(-c2ccn(Cc3cccnc3)c2)n2ccccc12 306137244 QQIOASCGTQJZQG-UHFFFAOYSA-N 415.497 3.403 0 40 HGAB CC(=O)c1cccc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccccc2)c1 408597887 WEBMWGSTRVRLAN-QFIPXVFZSA-N 422.506 3.418 0 40 HGAB COc1ccc(Cl)cc1NC(=O)COC(=O)[C@H]1CC(=O)N(C2CCCCC2)C1 408664438 ZPXVPWUVKWHLRY-ZDUSSCGKSA-N 408.882 3.012 0 40 HGAB COc1ccc(OCC(=O)N2N=C(c3ccc(F)cc3)C[C@]2(O)C(F)(F)F)cc1 409357962 KURYOGJMCFPQAS-SFHVURJKSA-N 412.339 3.101 0 40 HGAB O=C(N[C@H]1COc2cc(F)c(Br)cc21)c1c[nH]c(C(=O)N2CCCC2)c1 506648211 UEUZZTGWXIGQSN-HNNXBMFYSA-N 422.254 3.016 0 40 HGAB COCCc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(F)cc3)CC2)cc1 523623367 CYCFRJIPJCONSF-UHFFFAOYSA-N 420.506 3.054 0 40 HGAB O=C(COc1ccc(F)cc1)N1CC[C@@H](c2ccccc2Cl)S(=O)(=O)CC1 575414714 LFIKBWSZLGFVFA-SFHVURJKSA-N 411.882 3.246 0 40 HGAB O=S(=O)(NC[C@@H](O)c1ccc(-c2ccsc2)cc1)c1ccc2c(c1)CCO2 575610094 KDOQFKCRYCURTP-LJQANCHMSA-N 401.509 3.362 0 40 HGAB Cc1cc(NC(=O)c2cccc(-c3cnc4nc(O)n(C)c4c3)c2)cc(C(N)=O)c1 1569355499 RIAQLRVJXITGOK-UHFFFAOYSA-N 401.426 3.001 0 40 HGAB Cc1nc2c(c(N3CCC[C@@H](COc4ncc(Br)cn4)C3)n1)CCC2 1775995766 IALPNAXYXQUTIX-CYBMUJFWSA-N 404.312 3.122 0 40 HGAB COc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3cc(Cl)ccc3C)CC2=O)cc1 800625 SMZFYZSPCBFJHB-AWEZNQCLSA-N 416.861 3.192 0 40 HGAB COc1cccc(OC)c1C(=O)Nc1ccc(N2CCN(C(=O)C(C)C)CC2)cc1 804983 SGORSEODQWWMQD-UHFFFAOYSA-N 411.502 3.261 0 40 HGAB COc1ccc2[nH]c(=O)c(CN(C[C@H]3CCCO3)C(=S)NCC(C)C)cc2c1 880082 QEIFFCNKYGRVAH-GOSISDBHSA-N 403.548 3.048 0 40 HGAB CC[C@H](C)OC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(Br)c(O)c(OC)c1 1060177 LHCZJURZWCADTN-RMLUDKJBSA-N 413.268 3.133 0 40 HGAB CC(C)Nc1nc(NNc2nc(Cl)nc(NC(C)(C)C)n2)nc(NC(C)C)n1 2311435 MUVBQRCZRFBJKH-UHFFFAOYSA-N 409.930 3.000 0 40 HGAB COc1cccc(-c2nnc(SCC(=O)Nc3ccc(F)c(Cl)c3)n2N)c1 2395981 GMLDDHRTNVWQJA-UHFFFAOYSA-N 407.858 3.191 0 40 HGAB CCCNC(=O)c1c(N)n(Cc2ccc3c(c2)OCO3)c2nc3ccccc3nc12 2445551 ZMTDABQGMFDLBU-UHFFFAOYSA-N 403.442 3.084 0 40 HGAB COc1cc(C(=O)OCC(=O)N[C@@H](C)CCc2ccccc2)cc(OC)c1OC 3300979 FNCPRAACSNIFBD-HNNXBMFYSA-N 401.459 3.007 0 40 HGAB C[C@H](OC(=O)c1cnc(Cl)c(Cl)c1)C(=O)Nc1ccc(N2CCOCC2)cc1 3347947 MKPDEXBBWREUGS-LBPRGKRZSA-N 424.284 3.409 0 40 HGAB C[C@H]1C[C@H](C)CN(C(=O)C(=O)c2cn(CC(=O)N3CCCCC3)c3ccccc23)C1 4272333 YXNMRDANZVRYEI-ROUUACIJSA-N 409.530 3.341 0 40 HGAB CC(=O)c1ccc(NC(=O)CSc2ccc3nnc(-c4ccccn4)n3n2)cc1 4327069 NQYWPEYUYIJTTM-UHFFFAOYSA-N 404.455 3.120 0 40 HGAB CCN(CC)C(=O)C(=O)c1cn(CC(=O)NCCc2ccccc2)c2ccccc12 4624201 ULBGJCUPHXZGLV-UHFFFAOYSA-N 405.498 3.051 0 40 HGAB CC(C)NC(=O)Cn1nnc(-c2ccc(NC(=O)C34CC5CC(CC(C5)C3)C4)cc2)n1 4885944 QJFLATASZLOPCT-UHFFFAOYSA-N 422.533 3.020 0 40 HGAB CCOc1ccccc1NC(=O)COC(=O)[C@H]1CC(=O)N(c2c(C)cccc2C)C1 4942604 FOIMWWVTSJBCMI-KRWDZBQOSA-N 410.470 3.237 0 40 HGAB COc1cccc(C2=NO[C@H](C(=O)Nc3cc(C)nn3-c3ccccc3)C2)c1OC 5030142 KHLPLJDBBNCASQ-IBGZPJMESA-N 406.442 3.330 0 40 HGAB aggregator CCOC(=O)c1ccc(NC(=O)c2cccn(OCc3cccc(C)c3)c2=O)cc1 5054807 OKTQSCAELQHUCB-UHFFFAOYSA-N 406.438 3.215 0 40 HGAB C[C@@H]1CN(C(=O)COC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)C[C@@H](C)O1 5079505 CNGVGDQXYHFENR-HUUCEWRRSA-N 415.873 3.364 0 40 HGAB CCOC(=O)c1ccccc1NC(=O)c1ccc(C)c(N2CCCCS2(=O)=O)c1 5135905 KAVFTPKEROOOAC-UHFFFAOYSA-N 416.499 3.354 0 40 HGAB CCCn1nnnc1NC(=S)NC(=O)COc1ccc(C2CCCCC2)cc1 6462589 YEHCXVDHMGSNAP-UHFFFAOYSA-N 402.524 3.023 0 40 HGAB Cc1ccc(CN(C(=O)[C@@H](C)Oc2cccc(C)c2C)[C@@H]2CCS(=O)(=O)C2)o1 6810339 TZDWKWLIMFOUPN-QZTJIDSGSA-N 405.516 3.188 0 40 HGAB COc1ccccc1N(CC(=O)NCc1ccccc1)S(=O)(=O)c1cccs1 6839628 YVTQNQQVDGKSSO-UHFFFAOYSA-N 416.524 3.268 0 40 HGAB COCCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(C(=O)O)cc3)c2C)C1=O 6961553 FFOYMYIBICSQEM-GZTJUZNOSA-N 400.456 3.475 0 40 HGAB O=C1COc2ccc(C(=O)CSc3nnc(NCc4ccco4)s3)cc2N1 7161685 ZDGXCVMFAPDFMX-UHFFFAOYSA-N 402.457 3.049 0 40 HGAB CCCCNC(=S)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N1CCCC1 7518275 MTFBRKOAMUJVEG-UHFFFAOYSA-N 412.625 3.404 0 40 HGAB Cc1nc(-c2ccccc2)sc1C(=O)OCC(=O)c1ccc2c(c1)NC(=O)CO2 7618834 KIYQQAAGUATTCD-UHFFFAOYSA-N 408.435 3.489 0 40 HGAB COc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2)cc1S(=O)(=O)N(C)C 7978434 HYGPJMFLYLSIIQ-UHFFFAOYSA-N 402.394 3.217 0 40 HGAB COC(=O)c1ccc(OC[C@@H](O)CNCC23CC4CC(CC(C4)C2)C3)c(OC)c1 8324279 IHUOZBZJRTZWBZ-UVLALUNPSA-N 403.519 3.028 0 40 HGAB O=C(CSc1nnnn1Cc1cccs1)N1CCC(Cc2ccccc2)CC1 8346308 MISKUOHQLUASIX-UHFFFAOYSA-N 413.572 3.356 0 40 HGAB O=C(CC[C@@H]1N=C2c3ccccc3NC(=S)N2C1=O)NCc1ccccc1Cl 8380224 LTTMUYCBJPFRRE-INIZCTEOSA-N 412.902 3.104 0 40 HGAB CCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3C)c(C)c1 8962439 YZMSDIQCNCNNEE-UHFFFAOYSA-N 401.488 3.053 0 40 HGAB CC/C(Nc1ccc(NC(C)=O)cc1)=C1/C(=O)NC(=O)N(c2ccccc2C)C1=O 9009730 YECOLDKRBQWFPS-HTXNQAPBSA-N 406.442 3.312 0 40 HGAB CC(=O)c1cccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)c1 9069244 ADGHPSCWAYZHFR-GOSISDBHSA-N 406.891 3.334 0 40 HGAB CN(C)S(=O)(=O)N(C)c1ccc(C(=O)Nc2ccc(Cl)cc2Cl)cc1 9694895 BWOBOYQFIXBUTF-UHFFFAOYSA-N 402.303 3.488 0 40 HGAB Cc1cc(Br)ccc1NS(=O)(=O)c1cc2c3c(c1)CCN3C(=O)CC2 9708639 IAGKPMHIHVKCTM-UHFFFAOYSA-N 421.316 3.394 0 40 HGAB O=C1CCc2cc(S(=O)(=O)Nc3ccc(F)c(C(F)(F)F)c3)cc3c2N1CC3 9737868 UOINICAEYHUTHZ-UHFFFAOYSA-N 414.380 3.481 0 40 HGAB CC(=O)N[C@@H](C)CCc1ccc(-c2csc(NC(=O)C3=COCCO3)n2)cc1 9864254 HFRILUFPBXLMPS-ZDUSSCGKSA-N 401.488 3.094 0 40 HGAB Cc1cc(NC(=O)CSc2nnc(N3CCC(C)CC3)n2Cc2ccco2)no1 11374107 KNSNVPVFRQGEJJ-UHFFFAOYSA-N 416.507 3.183 0 40 HGAB Cc1ccc(-c2noc([C@@H]3C[C@H](NC(=O)Nc4cccc(C#N)c4)CN3C)n2)cc1 12529751 LEPRREPQVUUHTE-OALUTQOASA-N 402.458 3.484 0 40 HGAB biogenic,in-vitro Cc1ccc(Cl)cc1NC(=O)[C@@H](C)Sc1nnc(C2CC2)n1CCC(N)=O 12769096 NGDLWXVYEYAWGB-LLVKDONJSA-N 407.927 3.112 0 40 HGAB Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)N1C[C@@H](C(N)=O)Oc2ccccc21 12785109 QKHDHYASNFVFDG-SFHVURJKSA-N 402.516 3.043 0 40 HGAB Cc1c(C(=O)NCc2ccc(CN(C)C)cc2)sc2nc3n(c(=O)c12)CCCCC3 12785205 PVYISXNUQISLSE-UHFFFAOYSA-N 424.570 3.484 0 40 HGAB CCCN(Cn1nc(-c2ccc(Cl)cc2)oc1=S)[C@H]1CCS(=O)(=O)C1 12935583 HNHYNGXGFQVKFT-AWEZNQCLSA-N 401.941 3.383 0 40 HGAB O=C(CN1CCN(C(=O)/C=C/c2ccc(Cl)cc2)CC1)Nc1ccc(F)cc1 13000345 DBWNUKGFUWDVRH-XCVCLJGOSA-N 401.869 3.275 0 40 HGAB C[C@H]1CCC[C@@H](C)N1NC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 13140404 FJEKKUVGGZMIFE-CALCHBBNSA-N 413.543 3.346 0 40 HGAB O=C(NCc1ccccn1)c1ccc2c(c1)CCCN2S(=O)(=O)c1ccccc1 13583462 TWSTVRBXWDPERB-UHFFFAOYSA-N 407.495 3.153 0 40 HGAB Cc1nc(-c2ccc(CNC(=O)Nc3ccc(S(N)(=O)=O)cc3)cc2)cs1 14016528 XWIHUWBOTOSWOZ-UHFFFAOYSA-N 402.501 3.088 0 40 HGAB O=C(Nc1cccc(Cl)c1N1CCOCC1)[C@@H]1CC(=O)N(Cc2ccccc2)C1 14126073 NSKCLFHGYFOSAG-QGZVFWFLSA-N 413.905 3.164 0 40 HGAB O=C(CSc1nnc(-c2ccc(F)cc2)n1C[C@@H]1CCCO1)Nc1nccs1 14461648 LQTGUNWWTQPPDM-AWEZNQCLSA-N 419.507 3.451 0 40 HGAB COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)Nc1ccc(Br)cc1 15881307 NGZVLJDATQZQHB-UHFFFAOYSA-N 418.222 3.395 0 40 HGAB Cc1cc2ccccc2n1CCC(=O)N1CCO[C@@H](c2nc(-c3cccnc3)no2)C1 19126827 NBZHVVGAVMAQJX-HXUWFJFHSA-N 417.469 3.385 0 40 HGAB Cc1ccc2c(c1)C(=O)N(CC(=O)N1CCC[C@@H](C)[C@@H]1C)CC1(CCOCC1)O2 19218691 MMZKHPCLANAURL-MSOLQXFVSA-N 400.519 3.026 0 40 HGAB O=C1CCC[C@]2(CN(C(=O)c3ccnc(N4CCCC4)c3)C[C@H]2c2ccccc2F)N1 19368185 QTSRPDSKPAPFDY-YADARESESA-N 422.504 3.099 0 40 HGAB CC(C)N(C(=O)Cn1nc2c3ccccc3nc(Cc3ccccc3)n2c1=O)C(C)C 19447595 RKKYTKWUKYCRIX-UHFFFAOYSA-N 417.513 3.280 0 40 HGAB CC1(C)[C@@H]2CC[C@@]1(C)C(=O)N(CC(=O)N1CCC(Oc3cccc(F)c3)CC1)C2=O 19460801 ODMNXIBQVWOQBX-JPYJTQIMSA-N 416.493 3.007 0 40 HGAB Cc1cc(-c2snnc2[C@H]2CCCN(C(=O)CCn3nc(C)cc3C)C2)on1 19573847 HCXQMYZTUAUWGD-HNNXBMFYSA-N 400.508 3.111 0 40 HGAB CC(C)NC(=O)C1(Cc2cccc(-c3cncnc3)c2)CCN(C(=O)C2CC2)CC1 19700363 AFIBGBIXDQAWRC-UHFFFAOYSA-N 406.530 3.230 0 40 HGAB COc1cccc(C(=O)N2CC[C@H](C(=O)NCc3ccccc3N3CCCC3)C2)c1 19750283 YBKXCJFZFLTIPE-FQEVSTJZSA-N 407.514 3.074 0 40 HGAB O=C1C[C@H](N2CCN(c3ccccc3F)CC2)C(=O)N1c1ccc(F)c(Cl)c1 20495277 PRVZDBMFMYYAGC-SFHVURJKSA-N 405.832 3.072 0 40 HGAB CC(C)Oc1ccc(CCCNC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)cc1 22363230 ZSSYUTHJCFDPQU-UHFFFAOYSA-N 422.522 3.128 0 40 HGAB COc1ccccc1CNC(=O)Cn1cnc2c(-c3ccccc3)csc2c1=O 23126431 KYYLIVNCABCLRG-UHFFFAOYSA-N 405.479 3.450 0 40 HGAB COc1cc(CCNC(=O)c2cccc(N3CCCC3=O)c2)ccc1OC(F)F 23953259 BMXHIVJOLIPEPW-UHFFFAOYSA-N 404.413 3.396 0 40 HGAB CCCc1cc(=O)oc2c(C)c(O[C@H](C)C(=O)N[C@@H](C(=O)O)[C@@H](C)CC)ccc12 26771883 FYRDRWHCLLNEML-BBEJJTJUSA-N 403.475 3.437 0 40 HGAB biogenic COc1ccc(-c2nsc(NC(=O)COc3ccccc3OC)n2)cc1OC 27662362 COHWPEQMILAOEY-UHFFFAOYSA-N 401.444 3.248 0 40 HGAB CC(C)(CNC(=O)CSc1ncc(C(F)(F)F)cc1Cl)N1CCOCC1 29810060 BIJOIDLWWCXUCZ-UHFFFAOYSA-N 411.877 3.073 0 40 HGAB CCOC(=O)c1ccoc1CN1CCc2cc(S(=O)(=O)N(CC)CC)ccc21 31084137 MIBAYYDQNQMENM-UHFFFAOYSA-N 406.504 3.050 0 40 HGAB Cc1nc2c(C(=O)N3CCCC3)nc(-c3ccccc3)cc2n1[C@H]1CCS(=O)(=O)C1 32616398 MVEONWGHOBCBDB-KRWDZBQOSA-N 424.526 3.002 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)NC2C3CC4CC(C3)CC2C4)c1 32721509 NRDWVWOEQWOICE-UHFFFAOYSA-N 408.539 3.411 0 40 HGAB O=C(Nc1nc2c(s1)CCCCC2)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 32885730 RLDNPYCUSHETNQ-MRXNPFEDSA-N 423.535 3.343 0 40 HGAB C[C@H]1C[C@@H]1C(=O)NCCC(=O)Nc1cc(Br)ccc1Br 33168545 XROMGDQVDCCOGC-WPRPVWTQSA-N 404.102 3.312 0 40 HGAB Cc1ncc(CO)c2cc(-c3nc(-c4ccc(Br)cc4)no3)c(=O)oc12 33267399 RXCFUMPCEWSBPP-UHFFFAOYSA-N 414.215 3.468 0 40 HGAB COc1ccc(-c2ccnc3cc(C(=O)NC(C)(C)CN4CCCCC4)nn23)cc1 35316663 OQHSLQRJRLYRPT-UHFFFAOYSA-N 407.518 3.399 0 40 HGAB CCOc1ccccc1CNC(=O)[C@H](C)N(c1cccc(Cl)c1)S(C)(=O)=O 38753938 WJWOHXRGUZTBPQ-AWEZNQCLSA-N 410.923 3.210 0 40 HGAB CCOC(=O)[C@H]1CCCN(C(=O)Nc2cc3c(cc2Br)OCCO3)C1 40103738 VMBCHMDGEBNERU-NSHDSACASA-N 413.268 3.027 0 40 HGAB CC1CCN(CCNC(=O)c2ccc(Cl)cc2I)CC1 40121274 ICWFCPYGWGXHFX-UHFFFAOYSA-N 406.695 3.406 0 40 HGAB Cc1cc(NC(=O)CCCc2nc3ccccc3s2)n([C@H]2CCS(=O)(=O)C2)n1 44838780 XVCSXMMBFLBGJU-AWEZNQCLSA-N 418.544 3.122 0 40 HGAB COc1ccc(-c2coc3c(COC(C)=O)c(OC(C)=O)ccc3c2=O)cc1OC 45919476 FCGBMKLWMXWQIP-UHFFFAOYSA-N 412.394 3.466 0 40 HGAB CCOC(=O)Nc1cccc(NC(=O)NC[C@H](O)COc2cccc(C)c2)c1C 58061600 XTGPTGYRYCPRNI-INIZCTEOSA-N 401.463 3.433 0 40 HGAB COC(=O)CCOc1ccc(S(=O)(=O)Oc2cccc(C(F)(F)F)c2)cc1 58183968 BESFGFRGKLZDBP-UHFFFAOYSA-N 404.362 3.415 0 40 HGAB CS(=O)(=O)c1ccc(OCCCN2c3cccc4cccc(c34)S2(=O)=O)cc1 62693593 DVZPHSDRMYKMFS-UHFFFAOYSA-N 417.508 3.221 0 40 HGAB CC(=O)Nc1cc(-c2ccc(C)cc2)nn([C@@H](C)C(=O)N2CCc3ccccc32)c1=O 64604937 GSCPLIPRBVNTDX-INIZCTEOSA-N 416.481 3.327 0 40 HGAB CN(C(=O)Cn1c(=O)cc(C(=O)N2CCCCC2)c2ccccc21)c1ccccc1 67318756 QHRRQJLNHBWXBE-UHFFFAOYSA-N 403.482 3.291 0 40 HGAB O=S(=O)(NC[C@H]1Cc2ccccc2O1)C1=Cc2ccc(OC(F)F)cc2CC1 71847855 IWRDCOPWDVLIKH-QGZVFWFLSA-N 407.438 3.498 0 40 HGAB O=S(=O)(N1CCCCC1)N1CCC2(CC1)C[C@@H]2c1nnc(-c2cccc(F)c2)o1 71890643 CHKQWUSBXFFVPU-QGZVFWFLSA-N 420.510 3.176 0 40 HGAB COc1ccc(C)cc1C(=O)CCC(=O)N1CCC[C@@H](c2n[nH]c3nccnc23)C1 72393877 CYEATBYGWDOFCL-OAHLLOKOSA-N 407.474 3.039 0 40 HGAB O=C(CCn1nnc2ccccc2c1=O)N1CCCC[C@H]1c1nc2ccccc2o1 84587475 NZYVFHJAWAQNPU-SFHVURJKSA-N 403.442 3.077 0 40 HGAB CC(C)CCO[C@@H]1CCCC[C@H]1Nc1ccc(S(C)(=O)=O)cc1S(C)(=O)=O 89821170 NUDFZANDQRZLIO-SJLPKXTDSA-N 417.593 3.279 0 40 HGAB O=C(CN1CCN(C(=O)c2ccncc2)CC1)Nc1ccccc1Oc1ccccc1 89845850 NTGKEGKTLSYYCU-UHFFFAOYSA-N 416.481 3.270 0 40 HGAB COc1ccc(C(=O)Nc2ccc(CN(C)C)cc2)nc1I 95445117 ZQTKPPQFPRONCV-UHFFFAOYSA-N 411.243 3.009 0 40 HGAB C[C@@H](NCCCOCc1ccco1)[C@H]1CN(C(=O)OCc2ccccc2)CCO1 96013616 NOUXIHQKFFJZKE-WIYYLYMNSA-N 402.491 3.202 0 40 HGAB Cc1nc(-c2nc(C(=O)NC[C@H]3CCCO3)c3ccccn23)cn1Cc1ccccc1 96155167 BLDOEXMDKGMMDZ-LJQANCHMSA-N 415.497 3.463 0 40 HGAB CCOc1ccc(CN2[C@H]3CC[C@@H]2Cc2nc4cc(C)nn4c(O)c2C3)cc1OC 100219497 WPLSYMSMHCIONS-DLBZAZTESA-N 408.502 3.282 0 40 HGAB Cc1ccc2[nH]c(CN3[C@@H]4CC[C@@H]3CC(O)(Cn3nc(C)ccc3=O)C4)c(C)c2c1 100737921 DVAHPMTWRRIOOR-RTBURBONSA-N 406.530 3.208 0 40 HGAB Cn1ccnc1C1(O)[C@@H]2CCC[C@@H]1CN(Cc1cccc(Oc3ncccn3)c1)C2 100769093 PATIITISNHWANJ-RTBURBONSA-N 405.502 3.122 0 40 HGAB COC(=O)CN(c1c(C)cccc1C)S(=O)(=O)c1ccc(Br)cc1 113882122 UTDFCHSJHGCEBW-UHFFFAOYSA-N 412.305 3.434 0 40 HGAB Cc1cccc(N([C@@H](C)C(=O)NCCSCc2ccccc2)S(C)(=O)=O)c1 220121906 KGBMUYWGVQBTTJ-KRWDZBQOSA-N 406.573 3.199 0 40 HGAB CCOc1ccc(N([C@H](CC)C(=O)Nc2ccccc2OC)S(C)(=O)=O)cc1 220665761 BKQHBMXQJYYEIY-GOSISDBHSA-N 406.504 3.277 0 40 HGAB Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)NCc3ccccc3Cl)s2)cc1 224333118 SWQGBLJMDSIXAI-UHFFFAOYSA-N 422.919 3.231 0 40 HGAB COc1ccc(S(=O)(=O)NC[C@@H](c2ccoc2)N2CCSCC2)cc1Cl 240122722 WIHLIYJXYWLRHR-INIZCTEOSA-N 416.952 3.010 0 40 HGAB Cc1cc(OC2CN(S(=O)(=O)c3cccc4ccccc34)C2)cc(=O)n1C1CC1 245053598 PCFFNXHKUNREPN-UHFFFAOYSA-N 410.495 3.097 0 40 HGAB C[C@]12CC[C@](O)(CN3CC3)C[C@@H]1CC[C@H]1[C@H]2CC[C@]2(C)[C@@H]1CC[C@@]2(O)CN1CC1 253530043 KDZDNXAVYMXPKT-GFFBQABNSA-N 402.623 3.123 0 40 HGAB COc1ccc(F)cc1-c1cccc(CC2(C(=O)N[C@@H](C)CO)CCOCC2)c1 257267490 MHNFQZWQLNPTEX-INIZCTEOSA-N 401.478 3.338 0 40 HGAB COc1cccc2c1OC(C)(C)[C@H]1CC3(CO[C@H]21)CN(C(=O)C1CCOCC1)C3 257293654 QQOMOLYXBOSZJS-PKOBYXMFSA-N 401.503 3.199 0 40 HGAB CN(Cc1ccc(C(=O)NC[C@H]2CCCO2)cc1)S(=O)(=O)c1ccc(Cl)cc1 260565643 RCEVLRJXJVHISC-GOSISDBHSA-N 422.934 3.070 0 40 HGAB CCc1ccc([C@H](C)NC(=O)[C@H](C)N(c2ccc(OC)cc2)S(C)(=O)=O)cc1 260740993 CJBOVHLMLYFMAY-HOTGVXAUSA-N 404.532 3.290 0 40 HGAB CCOc1cccc(N(CC(=O)N[C@H](C)c2ccc(CC)cc2)S(C)(=O)=O)c1 260761115 FJCRYKFPZWUAFH-MRXNPFEDSA-N 404.532 3.291 0 40 HGAB CCC(=O)N1CCC2(CC1)COc1ccccc1S(=O)(=O)N(CC1CCCC1)C2 306141862 WIPRAEHUDHPKPC-UHFFFAOYSA-N 420.575 3.279 0 40 HGAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cccc(SC)c2)cc1C 408621079 KYXTXUNABYYASI-AWEZNQCLSA-N 408.545 3.421 0 40 HGAB O=C(COc1ccc(F)cc1)N1N=C(c2ccc(F)cc2)C[C@@]1(O)C(F)(F)F 409351024 VLYXJJLVJGYIPQ-QGZVFWFLSA-N 400.303 3.231 0 40 HGAB c1ccc(-c2cc(CN3CC[C@]4(COCc5cnc(NC6CC6)nc54)C3)no2)cc1 503739385 DJTUYAHUYYIEJL-HSZRJFAPSA-N 403.486 3.380 0 40 HGAB O=C(Nc1nnc2n1CCCC2)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 507890359 VSMSMTRUQZBYRD-CQSZACIVSA-N 408.289 3.165 0 40 HGAB CC(C)Cn1ccc2cc(NC(=O)NCc3ccc(S(N)(=O)=O)s3)ccc21 509925918 GFARAJYOLPBMPS-UHFFFAOYSA-N 406.533 3.328 0 40 HGAB Cc1nn(C)cc1[C@@H]1CCCN1C(=O)c1c(C)nc2ccc(Br)cn12 684458896 KDWZAFNYARSDCB-HNNXBMFYSA-N 402.296 3.424 0 40 HGAB COc1ccc(OC)c(S(=O)(=O)N2CCC(c3ccc4cccnc4n3)CC2)c1 1888929351 XCVZWBNURPNILD-UHFFFAOYSA-N 413.499 3.215 0 40 HGAB CC[C@@]1(C)Cc2c(sc3nnn(CC(=O)Nc4cccc(Cl)c4)c(=O)c23)CO1 658392 PUZVGQLXGKECJD-IBGZPJMESA-N 418.906 3.387 0 40 HGAB COc1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1OC 1093866 SCJVBOFGCNPALT-UHFFFAOYSA-N 404.488 3.131 0 40 HGAB CCn1c(=O)c2ccccc2n2c(SCC(=O)N3c4ccccc4C[C@H]3C)nnc12 1331747 ODQHTOMAZJWHBJ-CQSZACIVSA-N 419.510 3.134 0 40 HGAB CC(C)[C@H]1Cc2c(sc3nc(SCC(=O)NCc4ccco4)nc(N)c23)CO1 1767528 VYCKVWDIILFHNB-CYBMUJFWSA-N 418.544 3.372 0 40 HGAB COC[C@@H](C)OC(=O)c1c(N)n(-c2ccc3c(c2)OCO3)c2nc3ccccc3nc12 2336448 XUZCMQNIFMIKML-GFCCVEGCSA-N 420.425 3.076 0 40 HGAB Cc1ccc(NC(=O)CN2C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C2=O)cc1Cl 2628238 XPXATSXZKOQLOV-SFHVURJKSA-N 410.861 3.231 0 40 HGAB COc1ccccc1CNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 2633461 XJTPDTIQYZKJLC-UHFFFAOYSA-N 408.907 3.063 0 40 HGAB COc1cccc(OC)c1C(=O)OCc1nc2sc3c(c2c(=O)[nH]1)CCCC3 3315528 QGHJWKJDNIJDQP-UHFFFAOYSA-N 400.456 3.238 0 40 HGAB NC(=O)c1cc(NC(=O)CCCSc2nc3ccccc3s2)cc(C(N)=O)c1 3404779 SHYLEFUJEVUXOH-UHFFFAOYSA-N 414.512 3.005 0 40 HGAB O=C(O)C[C@@H](CNC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1)c1ccccc1 4029191 YWCMVBHNMHKDLX-PMACEKPBSA-N 410.470 3.162 0 40 HGAB biogenic CCS(=O)(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccc(OC)c(OC)c1 4511559 ADERIMLZVBERPS-NRFANRHFSA-N 421.515 3.018 0 40 HGAB CC(C)(C)SCCNC(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O 4676653 JAIPLLRQTSUPHB-UHFFFAOYSA-N 413.392 3.407 0 40 HGAB CSc1nnc2n1-c1nnc(SC)n1-c1sc3c(c1-2)C[C@H](C(C)C)OC3 5024589 KBUXCPDTMGAGLI-SECBINFHSA-N 406.562 3.431 0 40 HGAB O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cc(=O)c2ccccc2o1 5348923 ICABAYOTTOQDEG-UHFFFAOYSA-N 412.467 3.220 0 40 HGAB CN(C(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1)[C@H]1CCS(=O)(=O)C1 6590638 JMXLHCOMSNXXCJ-INIZCTEOSA-N 415.540 3.114 0 40 HGAB CCN(CC)CCC[C@H](C)NS(=O)(=O)c1ccc(OC)c(Br)c1 6638839 UWAYTVIJHFLOSY-ZDUSSCGKSA-N 407.374 3.247 0 40 HGAB CCOC(=O)c1c(C)n(C)c2ccc(OC[C@@H](O)CNCCc3ccccc3)cc12 6732825 BNIMQLNSPYAJEB-IBGZPJMESA-N 410.514 3.235 0 40 HGAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CN1c2ccccc2CC[C@@H]1C 6822444 CYPJQLNFJSZLIH-INIZCTEOSA-N 401.532 3.025 0 40 HGAB COc1ccc(CN(C)S(=O)(=O)c2ccc(Br)s2)cc1OC 7218517 SHDCOBHYUJYVIL-UHFFFAOYSA-N 406.323 3.349 0 40 HGAB Cc1cnc(C(=O)OCC(=O)N(C)[C@@]2(c3ccccc3Cl)CCCCC2=O)cn1 7253718 JABJMMAUPCITNZ-OAQYLSRUSA-N 415.877 3.092 0 40 HGAB CCC(=O)N(c1nnc(SCC(=O)N2CCC(c3ccccc3)=N2)s1)C1CC1 8074199 RDEZOZHWAURHJJ-UHFFFAOYSA-N 415.544 3.172 0 40 HGAB Cc1noc(C)c1S(=O)(=O)N(C)CC(=O)Nc1ccccc1Oc1ccccc1 8753248 APMGGNPKADVQMU-UHFFFAOYSA-N 415.471 3.343 0 40 HGAB Cc1nc(C(=O)NCc2ccc(Cn3cccn3)cc2)nn1-c1ccc(Cl)cc1 8776476 YMAYFGBOPSUZCV-UHFFFAOYSA-N 406.877 3.404 0 40 HGAB C[C@@H]1CCCN(C(=O)[C@H]2CCc3sc(NC(=O)c4ccc5c(c4)OCO5)nc32)C1 9132395 BCPISDDADWOEKC-OCCSQVGLSA-N 413.499 3.412 0 40 HGAB COc1ccc(Nc2nc(Nc3ccccc3OC)nc(N3CCOCC3)n2)cc1 9708912 OVORPEYQMNJTEM-UHFFFAOYSA-N 408.462 3.213 0 40 HGAB COc1ccc(C)cc1NC(=O)Cc1csc(NS(=O)(=O)c2ccccc2)n1 9828729 HWLKAASZHGYGDO-UHFFFAOYSA-N 417.512 3.442 0 40 HGAB CN(C)S(=O)(=O)c1cc(NC(=O)COc2ccccc2Cl)ccc1Cl 10670314 QPWBDSBNRWIQFH-UHFFFAOYSA-N 403.287 3.261 0 40 HGAB O=C(CN(Cc1ccc(Cl)cc1)C(=O)c1csnn1)NCc1ccc(F)cc1 12472031 IXILCGDDEWNQRG-UHFFFAOYSA-N 418.881 3.289 0 40 HGAB CC1CCN(CC(=O)Nc2ccc(S(=O)(=O)N3[C@@H](C)CCC[C@H]3C)cc2)CC1 12481594 AAHHGSGKVBCAHW-HDICACEKSA-N 407.580 3.309 0 40 HGAB CC(C)[C@@H](NC(=O)c1ccco1)C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 12551933 VYQRLSKYOZCDPL-GOSISDBHSA-N 423.435 3.402 0 40 HGAB Cc1ccc(NS(=O)(=O)c2ccc(C(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)cc1C 12605467 PGYIPXLJNPRFII-IRXDYDNUSA-N 402.516 3.354 0 40 HGAB COc1ccc(NC(=O)[C@@H]2CC(=O)N(CCc3c[nH]c4ccc(OC)cc34)C2)cc1 12863272 ATPZHFBBQYICDI-MRXNPFEDSA-N 407.470 3.215 0 40 HGAB CCCN(Cn1nc(-c2ccc(Cl)cc2)oc1=S)[C@@H]1CCS(=O)(=O)C1 12935578 HNHYNGXGFQVKFT-CQSZACIVSA-N 401.941 3.383 0 40 HGAB COc1cc2c(cc1OC)CN(C(=O)c1cccc(NC(=O)[C@H]3CCCO3)c1)CC2 12977584 BBFIPIWVKKXNOK-LJQANCHMSA-N 410.470 3.020 0 40 HGAB CCOC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OCC)[C@@H]1c1ccc(C(C)(C)C)cc1 13564202 WQOSIFNKORDPQG-GBPOLFSSSA-N 404.503 3.150 0 40 HGAB CN(CC(=O)Nc1ccccc1OC(F)(F)F)S(=O)(=O)/C=C/c1ccccc1 14190489 VZLBTYYDIMJGAS-VAWYXSNFSA-N 414.405 3.456 0 40 HGAB COc1ccc([C@@H]2CCCN2CC(=O)N2CCN(CCOc3ccccc3)CC2)cc1 15300699 DUCGDSYLMDPAHA-DEOSSOPVSA-N 423.557 3.055 0 40 HGAB CCOC(=O)c1c(NC(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O)sc(C)c1C 16006870 UDJAGRFLWOCPFI-KBPBESRZSA-N 406.504 3.045 0 40 HGAB COc1cccc(C(=O)COC(=O)c2ccc(N3C(=O)[C@H]4CC=CC[C@H]4C3=O)cc2)c1 18148942 UESKWPRWPATWHQ-BGYRXZFFSA-N 419.433 3.191 0 40 HGAB C[C@H]1CN(C(=O)c2c[nH]nc2C2CCN(Cc3ccccc3F)CC2)C[C@H](C)O1 19497345 GELQOBTXWFMBTM-HOTGVXAUSA-N 400.498 3.178 0 40 HGAB CC1CCN(c2ncc(-c3cncn3[C@H](CO)Cc3ccc(N(C)C)cc3)cn2)CC1 19719989 STMINIBURDFFAU-QFIPXVFZSA-N 420.561 3.419 0 40 HGAB OCCN1CCN(C[C@H](O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)CC1 19891697 IWNJWRRJZAETQO-KRWDZBQOSA-N 422.356 3.072 0 40 HGAB CCCc1nn2c(N)c(C(=O)OCC)nnc2c1-c1ccc(Br)cc1 20636073 JUZIQSZKPQRTEA-UHFFFAOYSA-N 404.268 3.265 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCc4sccc4C3)C2)s1 21131815 UCSAZYTZXWVHJF-OAHLLOKOSA-N 410.586 3.104 0 40 HGAB Cc1c(Cl)cccc1NC(=O)C(=O)NC[C@@H](c1cn(C)c2ccccc12)N(C)C 21698396 MNMVPFHCNRAGKW-FQEVSTJZSA-N 412.921 3.498 0 40 HGAB O=C(c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1)N1CCC[C@@H]1c1cccs1 22699941 QBNCXTFZXCKNFJ-SJLPKXTDSA-N 420.556 3.183 0 40 HGAB O=C(NCc1cc(-c2ccco2)on1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 22768625 VRHDLINCYIHCNN-UHFFFAOYSA-N 415.471 3.039 0 40 HGAB COc1ccc2nc(N(CCCN3CCOCC3)C(=O)c3ccco3)sc2c1 22997611 OTFXIARKTLLFFB-UHFFFAOYSA-N 401.488 3.267 0 40 HGAB COc1ccc(CN(C)C(=O)CSc2nnnn2-c2cc(C)ccc2C)cc1F 23175265 GOYDRWRTDBLXOA-UHFFFAOYSA-N 415.494 3.178 0 40 HGAB CCc1cc2c(CN3CCN(CCOc4ccccc4)CC3)cc(=O)oc2cc1O 23333934 AQQXKFMTUZHSKV-UHFFFAOYSA-N 408.498 3.258 0 40 HGAB CCN(CC)S(=O)(=O)c1cccc(-c2nnc(S[C@H]3CCCCC3=O)o2)c1 23516182 IGDAYEALOXGNSH-INIZCTEOSA-N 409.533 3.371 0 40 HGAB O[C@@H](COc1ccc(Br)cc1)CN1CCN(c2ccc(F)cc2)CC1 26781653 ADSJQIDDMMZGJH-GOSISDBHSA-N 409.299 3.150 0 40 HGAB Cc1ccc2c(Cl)c(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)sc2c1 27663436 WFSWYUSXIATCCE-UHFFFAOYSA-N 408.932 3.483 0 40 HGAB CCOC(=O)Cc1csc(NC(=O)c2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)n1 28930991 MCJBIURNGFHZNO-GJZGRUSLSA-N 417.531 3.110 0 40 HGAB O=C1Nc2ccccc2O[C@@H]1CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 29471811 KXJOYHKIBBEHMJ-LAUBAEHRSA-N 408.454 3.301 0 40 HGAB COc1cc(N2C[C@@H](C(=O)Nc3ccc4c(c3)CCC4)CC2=O)cc(OC)c1OC 30611746 ABFCRIIDBVRBPD-INIZCTEOSA-N 410.470 3.193 0 40 HGAB CCSc1ccccc1NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C 30755395 IPUFYHUKZGIECR-UHFFFAOYSA-N 411.524 3.189 0 40 HGAB COc1ccc(C(=O)N2CCC(C(=O)N3CCc4ccccc4C3)CC2)cc1OC 31186627 LMXSPAVXJQPOGV-UHFFFAOYSA-N 408.498 3.141 0 40 HGAB CCOC(=O)c1ccc(N2CCN(C(=O)Cc3ccc4ccccc4c3)CC2)nc1 31565711 YPEUYWKWNUKFLD-UHFFFAOYSA-N 403.482 3.303 0 40 HGAB CC1(C)CC(Nc2nc(Nc3ccccc3)nc(N3CCOCC3)n2)CC(C)(C)N1 32603931 VYCYNCJPXCHHCM-UHFFFAOYSA-N 411.554 3.173 0 40 HGAB CC(=O)c1cccc(N2C(SCc3ccccc3C)=N[C@H]3CS(=O)(=O)C[C@H]32)c1 32641041 XUEQHIJITOJKFT-VQTJNVASSA-N 414.552 3.473 0 40 HGAB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)[C@@H]1CCCN1C(=O)c1ccco1 32772508 DFOZLYBWFGHPDZ-FQEVSTJZSA-N 406.486 3.062 0 40 HGAB Cc1cccc(N2C[C@H](C(=O)N(C)Cc3ccccc3N3CCOCC3)CC2=O)c1C 32772554 AYVXZDUDGLNHIP-OAQYLSRUSA-N 421.541 3.152 0 40 HGAB CC(=O)c1ccc(NC(=O)CSc2nc3ncccc3c(=O)n2CC(C)C)cc1 32893355 QEFOZSSRGSCLLF-UHFFFAOYSA-N 410.499 3.381 0 40 HGAB COc1ccc(O[C@@H](C)C(=O)N[C@H](CCn2ccnc2)c2nc3ccccc3[nH]2)cc1 32933450 GICDBXPTSXWVMV-HRAATJIYSA-N 419.485 3.483 0 40 HGAB CSCC[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N1C[C@H](C)O[C@H](C)C1 32975464 WGAAIXPZHBSAAV-BFQNTYOBSA-N 419.374 3.481 0 40 HGAB Cc1n[nH]c(C)c1S(=O)(=O)Nc1ccc2c(c1)CN(C(=O)c1cccs1)CC2 38710892 JWJBLRYJRPNYKM-UHFFFAOYSA-N 416.528 3.087 0 40 HGAB O=C(c1cc(-c2cccs2)n[nH]1)N1CCN(C(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)CC1 38729718 FADNLASWJPWJBA-SJORKVTESA-N 424.501 3.365 0 40 HGAB O=c1c2cnc(N3CCN(c4ccccc4)CC3)nc2ccn1CCc1ccccc1 39383807 HKMQKEWUSGCUSE-UHFFFAOYSA-N 411.509 3.361 0 40 HGAB O=C(Cc1noc(C(=O)NCc2ccccc2Cl)n1)Nc1cccc2ncccc12 40268775 UYZCNEDLIXCTLI-UHFFFAOYSA-N 421.844 3.382 0 40 HGAB Cc1ccc2c(c1)N(S(=O)(=O)c1nnc(NC(=O)c3cccs3)s1)[C@H](C)C2 41085452 URWPFDJPAXCNAE-LLVKDONJSA-N 420.541 3.300 0 40 HGAB CN(C)S(=O)(=O)c1ccc(CNC(=O)Nc2ncc(-c3ccccc3)s2)cc1 47773978 VOERVQIBJQTJAG-UHFFFAOYSA-N 416.528 3.382 0 40 HGAB C[C@@H]1CN(c2ccc(NC(=O)NCc3cccnc3-n3cccn3)cc2F)C[C@@H](C)O1 58342857 INFCJSMNEWQGBL-HZPDHXFCSA-N 424.480 3.342 0 40 HGAB COc1ccc(S(=O)(=O)Nc2ccc(F)cc2C(=O)O)cc1Br 58357549 YEYWZKSQRGMOMP-UHFFFAOYSA-N 404.213 3.096 0 40 HGAB CCS(=O)(=O)Nc1ccc(NC(=O)N[C@@H]2CCOc3ccccc32)cc1OC 60108266 JDNHFUCWIIGYRM-OAHLLOKOSA-N 405.476 3.102 0 40 HGAB Cc1ccc(NC(=O)Cn2nc3c4c5c(sc4ncn3c2=O)CCCC5)cc1C 64945660 NHKNVDVSJVXLNM-UHFFFAOYSA-N 407.499 3.240 0 40 HGAB C[C@H]1CCCN(c2nc3ncn(CC(=O)Nc4ccc(F)cc4F)c(=O)c3s2)C1 67226186 KMHTXLGJKDWEJK-NSHDSACASA-N 419.457 3.006 0 40 HGAB COc1cccc2cc(C(=O)NCc3ccco3)/c(=N/c3ccc(C(N)=O)cc3)oc12 67298977 ZEFMNCGDIKFMTM-RWEWTDSWSA-N 417.421 3.296 0 40 HGAB CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)OC(=O)c1cc(=O)c2c(C)nn(C)c2[nH]1 72312530 GPAJIFLDZGKZDF-TZMCWYRMSA-N 410.474 3.268 0 40 HGAB O=C(CCNc1ccc(Cl)cn1)N1CCC(c2oncc2-c2cnccn2)CC1 72342849 IIWPNGDUEWZXTB-UHFFFAOYSA-N 412.881 3.388 0 40 HGAB O=C(CN1CC(c2nc(-c3cccc(C(F)(F)F)c3)no2)C1)Nc1cccnc1 77191119 YPYSPHCEDOOXHE-UHFFFAOYSA-N 403.364 3.188 0 40 HGAB Cc1nn(C)c2ncc(C(=O)N[C@H]3CCCC[C@@H]3CNC(=O)OC(C)(C)C)cc12 78877510 JDPVNWIJPHNXOA-PBHICJAKSA-N 401.511 3.090 0 40 HGAB CC(C)NS(=O)(=O)c1ccc(C(=O)N2CCC(OCC3CCCC3)CC2)cc1 79049599 UEOBNPMTEVEPGG-UHFFFAOYSA-N 408.564 3.185 0 40 HGAB O=C(CC[C@@H]1NC(=O)c2ccccc2N=C1O)Nc1nnc(Cc2ccccc2)s1 80329073 VRIDCBSHRTXTAE-INIZCTEOSA-N 421.482 3.248 0 40 HGAB CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCCSC[C@@H]1CN1CCOCC1 90609078 PJJCIYGSQMYUAG-KRWDZBQOSA-N 412.983 3.164 0 40 HGAB COC(=O)[C@H]1CCCCN1CC(=O)Nc1cc(C2CCCC2)nn1-c1ccccc1 95469865 CUMQWWKJNZOUFO-HXUWFJFHSA-N 410.518 3.496 0 40 HGAB COc1ccc(-c2nc(CC(=O)NCc3c(C)nn(C)c3C)cs2)cc1OC 95477555 LKYLPHTXSRNYRK-UHFFFAOYSA-N 400.504 3.037 0 40 HGAB Brc1cnc2c(c1)c(I)nn2[C@@H]1CCCCO1 95631087 DGCHNGCFSBVHHL-VIFPVBQESA-N 408.037 3.498 0 40 HGAB COC(=O)C[C@H](c1c(O)n[nH]c1Cc1ccc(OC)cc1)c1cccc2nccnc12 96117850 HQERUPJQZXKWFE-KRWDZBQOSA-N 418.453 3.353 0 40 HGAB CC(C)c1ccc(S(=O)(=O)N2CCC3(CC2)C[C@H](Nc2ncccn2)CO3)cc1 96221635 TVCRYGHDZGZVGX-SFHVURJKSA-N 416.547 3.024 0 40 HGAB O=C(COC(=O)c1ccccc1CN1CCOCC1)Nc1cc(Cl)ccc1F 97212606 LSEGZNITSBIMEK-UHFFFAOYSA-N 406.841 3.107 0 40 HGAB COc1cccc([C@H](c2ccccc2)N2[C@@H]3CC[C@@H]2CN(S(C)(=O)=O)CC3)c1 100464940 JHQCDOQATLUCIV-SJBKTWHCSA-N 400.544 3.283 0 40 HGAB CCOC(=O)[C@H]1CCCN([C@H](c2ccccc2F)c2sc3nc(C)nn3c2O)C1 102879015 VCNFHAROFXRDBR-XJKSGUPXSA-N 418.494 3.308 0 40 HGAB O=C(CN1C(=O)CS/C1=C/S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 105774414 FKBVGVFEWYBOGG-LDADJPATSA-N 407.900 3.371 0 40 HGAB C[C@@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@@]21C 118913357 NKRVAQNWPRPQDK-PZLMUANUSA-N 406.563 3.369 0 40 HGAB COc1ccc(-c2noc(CN(C)S(=O)(=O)Cc3ccccc3Cl)n2)cc1 223642696 OVZUOYQFMXXQOU-UHFFFAOYSA-N 407.879 3.360 0 40 HGAB CN(Cc1ccc2c(c1)OCCO2)S(=O)(=O)c1ccc2c(c1)CCC(C)(C)O2 223747036 QAULWQGRGLEDGP-UHFFFAOYSA-N 403.500 3.382 0 40 HGAB CSc1ccc(S(=O)(=O)NCCOc2cccc(C)c2C)cc1NC(C)=O 223970299 FXPZFWUJCKPKTR-UHFFFAOYSA-N 408.545 3.341 0 40 HGAB COC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(OC)c(Cl)c1 224950160 SRHFXWFYLLDWNR-UHFFFAOYSA-N 404.271 3.370 0 40 HGAB CCC(CC)C(=O)N1CCC(O)(c2csc(CN3CCC[C@@H]3COC)n2)CC1 225466720 FAZDUCJBHJTGOR-QGZVFWFLSA-N 409.596 3.000 0 40 HGAB biogenic,in-vitro CNS(=O)(=O)c1ccc(C)c(NC(=O)c2cc(-c3ccc(Cl)cc3)on2)c1 225899052 LSLRMRWNDULUCC-UHFFFAOYSA-N 405.863 3.464 0 40 HGAB COc1cccc(N(C)C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)c1 226078005 LVKNEHLXHZFBKR-OAHLLOKOSA-N 422.934 3.412 0 40 HGAB CNC(=O)c1cnn([C@@H]2CCCN(C(=O)C3(c4ccccc4F)CCCC3)CC2)c1 257215341 CPQQSLUPIUQDGA-GOSISDBHSA-N 412.509 3.447 0 40 HGAB CN(C(=O)c1c[nH]nc1[C@@H]1CCCN(C(=O)C[C@H]2CCCCO2)C1)C1CCCCC1 257252177 JTVAVPJEDXPVHC-IEBWSBKVSA-N 416.566 3.480 0 40 HGAB CC(=O)N1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)N2C(=O)Cn1cc(C)cn1 257310099 UDRJITVRXKQJPC-ACUMWEPGSA-N 420.557 3.193 0 40 HGAB Cn1ccc2c1CN(S(=O)(=O)c1ccccc1)Cc1cn(Cc3cccnc3)nc1-2 306134460 NOJBOWSRDQMTRB-UHFFFAOYSA-N 419.510 3.036 0 40 HGAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)NCc2ccccc2Cl)cc1C 408610393 TZNBRUNFJCGKRQ-CQSZACIVSA-N 410.923 3.030 0 40 HGAB COc1ccc(OC)c(NC(=O)CCCN(c2ccc(F)cc2)S(C)(=O)=O)c1 408706370 HHAUAEUVKVHXQS-UHFFFAOYSA-N 410.467 3.028 0 40 HGAB COc1cc(/C=C2/NC(=O)N(C)C2=O)cc(Cl)c1OCc1ccc(C(=O)O)cc1 409188987 LZVDTMOIGUAZSA-OVCLIPMQSA-N 416.817 3.148 0 40 HGAB COc1cccc(NC(=O)COc2ccc(S(=O)(=O)NC(C)C)cc2Cl)c1 409382227 QGFKCZWMXGGZEO-UHFFFAOYSA-N 412.895 3.053 0 40 HGAB Cc1ccc(OCC2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)nn1 1775969529 WVLLSXCYSFGCEO-UHFFFAOYSA-N 415.437 3.284 0 40 HGAB Cc1nc2ccccc2n1C1CN(S(=O)(=O)c2ccc(Br)cc2)C1 1775974612 XSJVELFUXKCXAJ-UHFFFAOYSA-N 406.305 3.353 0 40 HGAB COc1c(C)cnc(CN2CCC(Cn3cnc4cc(F)ccc4c3=O)CC2)c1C 2086868873 UGIRKDWNYDVXRL-UHFFFAOYSA-N 410.493 3.468 0 40 HGAB COc1ccc(/C=C2\N=C(SCC(=O)Nc3ccccc3)N(C)C2=O)cc1OC 625381 PXJRKFBJSZLDIL-WJDWOHSUSA-N 411.483 3.245 0 40 HGAB CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)N3CCCC3)cc2c1 890225 XREVWSXGPTXSQL-HXUWFJFHSA-N 408.506 3.214 0 40 HGAB COc1ccc(NC(=O)CN(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1OC 972298 OOYSEMBYTUZIQG-UHFFFAOYSA-N 412.895 3.070 0 40 HGAB O=C(NC(=S)Nc1ccc(I)cc1Cl)c1cccnc1 977571 FIBFUJYCINDMPO-UHFFFAOYSA-N 417.659 3.466 0 40 HGAB COc1ccc(CNC(=O)CN(C(=O)c2csnn2)c2ccc(C)c(C)c2)cc1 1357511 CHHYCIIYTTZQQC-UHFFFAOYSA-N 410.499 3.127 0 40 HGAB O=C(Nc1c2c(nn1-c1cccc(Cl)c1)CS(=O)(=O)C2)c1cccc(F)c1 4088654 RXTWFISLCWIYPQ-UHFFFAOYSA-N 405.838 3.346 0 40 HGAB Cc1cccc(NC(=O)Cn2cnc3c(cnn3-c3cccc(C)c3C)c2=O)c1C 4479187 AJJUROWBIJSKDU-UHFFFAOYSA-N 401.470 3.455 0 40 HGAB COc1ccc(CCNC(=O)CSc2nnc(-c3ccc(F)cc3)o2)cc1OC 4537188 IKLCNERZZXAZPN-UHFFFAOYSA-N 417.462 3.344 0 40 HGAB Cc1cn2c3c(=O)n(Cc4cccc(Cl)c4)c(=O)n(C)c3nc2n1C1CCCC1 4945206 SMIVOWDZKCCHND-UHFFFAOYSA-N 411.893 3.275 0 40 HGAB COc1ccc(-c2noc([C@H](C)NC(=O)c3cc(OC)c(OC)c(OC)c3)n2)cc1 4998232 SAQVRQXIQFVFGL-LBPRGKRZSA-N 413.430 3.262 0 40 HGAB Cc1cccc(OCC(=O)N(Cc2cccc(Cl)c2)[C@H]2CCS(=O)(=O)C2)c1 5046872 VWVCJTWCTRKSJQ-SFHVURJKSA-N 407.919 3.243 0 40 HGAB O=C(Nc1nnc(-c2ccc(Br)cc2)o1)[C@@H]1COc2ccccc2O1 5169739 YRDQFQXKHGEQPW-AWEZNQCLSA-N 402.204 3.278 0 40 HGAB CC(C)C(=O)N1CCCc2ccc(NC(=O)C(=O)NCCCc3ccccc3)cc21 5442163 BZEAQHOCIBAMGI-UHFFFAOYSA-N 407.514 3.309 0 40 HGAB Cc1cc2oc(=O)cc(COC(=O)[C@H]3CS[C@@]4(C)CCC(=O)N34)c2cc1Cl 5876517 VNLHRDYFNFDGTA-KUHUBIRLSA-N 407.875 3.252 0 40 HGAB CC(C)CNS(=O)(=O)c1ccc(OCC(=O)Nc2cccc(F)c2)c(Cl)c1 6326651 MOKLWMMAEGYRLA-UHFFFAOYSA-N 414.886 3.431 0 40 HGAB Cc1nn(-c2ccc(C(=O)N3CCN(C(=O)c4ccco4)CC3)cc2)c(C)c1Cl 6510568 FCFDLMOKWUHBOB-UHFFFAOYSA-N 412.877 3.334 0 40 HGAB NC(=O)c1ccsc1NC(=O)CSc1nnc(C2CC2)n1Cc1ccccc1 6531948 RLPROEBIOMIYQQ-UHFFFAOYSA-N 413.528 3.095 0 40 HGAB CC(=O)c1cc2c(cc1NC(=O)COC(=O)CCc1c[nH]c3ccccc13)OCO2 7987740 VRGGSFFTKZEYLZ-UHFFFAOYSA-N 408.410 3.214 0 40 HGAB O=c1cc(CSc2nnc(NC3CC3)s2)nc2ccc(Br)cn12 8036517 FWSGPVVHNONNHN-UHFFFAOYSA-N 410.322 3.175 0 40 HGAB CCn1c(S[C@@H]2C[C@@H](C)OC2=O)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 8135062 MKSHRCDQSGQAHH-CXAGYDPISA-N 423.560 3.027 0 40 HGAB CC(C)C[C@H](C(=O)OCC(=O)N[C@H](C)c1ccccc1)N1C(=O)c2ccccc2C1=O 8283656 BCIVPBLIEMXJFS-OXQOHEQNSA-N 422.481 3.118 0 40 HGAB CC[C@H](C)N(C(=O)CSc1nnc2n(C)c(=O)c3ccccc3n12)[C@H](C)CC 8353394 NQJLPLAJQWKLPI-OKILXGFUSA-N 401.536 3.099 0 40 HGAB CS(=O)(=O)c1oc(-c2ccc(F)cc2)nc1S(=O)(=O)c1ccc(Cl)cc1 8612242 GUECXAZLVZPOON-UHFFFAOYSA-N 415.851 3.370 0 40 HGAB CC(C)c1ccc(OCC(=O)NC[C@@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)cc1 8987441 WPFIDQABLQSFIZ-INIZCTEOSA-N 410.470 3.087 0 40 HGAB COc1ccc(C)cc1S(=O)(=O)N1CCC(C(=O)Nc2cccc(F)c2)CC1 9225859 OGRUAHWRBBWHTN-UHFFFAOYSA-N 406.479 3.182 0 40 HGAB CC(C)CCNC(=O)Cc1csc(NS(=O)(=O)c2ccc(Cl)cc2)n1 9828502 HGTMCWPXLPZVFA-UHFFFAOYSA-N 401.941 3.302 0 40 HGAB Cc1cn2c3c(=O)n(Cc4ccccc4)c(=O)n(C)c3nc2n1[C@H](C)c1ccccc1 10103818 PJYQFKVZLPMPBV-QGZVFWFLSA-N 413.481 3.115 0 40 HGAB Cc1cccc(-c2n[nH]c(=S)n2CC(=O)NCc2ccc(N3CCCC3=O)cc2)c1 10455318 GLHSPJZGNPGUTL-UHFFFAOYSA-N 421.526 3.359 0 40 HGAB Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)Nc1ncc(C)s1)CC1(CCOCC1)O2 12086921 GROPTDKYIMNGOS-OAHLLOKOSA-N 415.515 3.171 0 40 HGAB COc1ccc(CCNc2c(C)c(C)nc3cc(-c4nccn4C)nn23)cc1OC 12087620 OQAYNAXMUNBENO-UHFFFAOYSA-N 406.490 3.418 0 40 HGAB COc1ccc(CC(=O)N2CCCC[C@@H]2c2cc3nc(C)cc(O)n3n2)cc1OC 12160995 LURRFAABVKSFPU-QGZVFWFLSA-N 410.474 3.057 0 40 HGAB Cc1cc(=O)c(OCc2ccccc2)cn1CC(=O)N1CCN(c2ccccc2)CC1 12230288 GXRKTFIITQNYGW-UHFFFAOYSA-N 417.509 3.085 0 40 HGAB Cc1cc(C)n(C)c(=O)c1C(=O)N[C@H]1CC(C)(C)Cc2nc(-c3ccncc3)ncc21 12254299 SWIDIEXUOBZNAO-IBGZPJMESA-N 417.513 3.298 0 40 HGAB COc1ccc2c(c1)[C@H](O)CC1(CCN(C[C@@H](O)c3ccc(F)c(F)c3)CC1)O2 12329584 YGGHHNMUCCCVAX-WOJBJXKFSA-N 405.441 3.358 0 40 HGAB COCCNC(=O)CSc1ccccc1C(=O)OCCOc1ccc(C)cc1 12423824 CFNLGWKWPVCTFG-UHFFFAOYSA-N 403.500 3.086 0 40 HGAB C[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2ccc(N3CCCCC3)cc2)C1=O 12517495 LESNERPQAOALAV-QHCPKHFHSA-N 424.476 3.222 0 40 HGAB O=C(O)c1ccc(S(=O)(=O)Nc2ccc3nc(N4CCCC4)sc3c2)cc1 12560828 VKWWTXPTBQXFQB-UHFFFAOYSA-N 403.485 3.396 0 40 HGAB COC(=O)CNC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1cccc(F)c1 12791683 XBWQTAVUYAHCKE-UHFFFAOYSA-N 418.428 3.189 0 40 HGAB COC(=O)c1sc2nc(CSCCOc3ccc(OC)cc3)[nH]c(=O)c2c1C 12817752 ODMGWMFMEMSGDE-UHFFFAOYSA-N 420.512 3.400 0 40 HGAB COc1cc(CNC(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)cc(OC)c1OC 12885554 GZRHELLNVTWBRV-LLVKDONJSA-N 402.472 3.075 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccccc3Cl)C2)s1 13012916 UNFIMGGGUQHIHV-HNNXBMFYSA-N 412.964 3.427 0 40 HGAB CC(=O)c1cccc(OCC(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1 13135731 PCQWIJAFZTWDHF-UHFFFAOYSA-N 407.392 3.031 0 40 HGAB CCS(=O)(=O)N1CCCc2cc(C(=O)Nc3ccc(OC)c(OC)c3)ccc21 13610434 PJJSKSZJNIHUPD-UHFFFAOYSA-N 404.488 3.058 0 40 HGAB CCC[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)N1CCN(c2ccccc2)CC1 14205385 PCVSLWZHKVNKHG-NRFANRHFSA-N 412.509 3.142 0 40 HGAB COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NC2=NCCS2)cc1OC 15565634 NHLSEFJNTUSKEA-UHFFFAOYSA-N 408.483 3.389 0 40 HGAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2c(CC)cccc2CC)cc1 16162289 BMHQXTOZFMZFRK-UHFFFAOYSA-N 404.532 3.469 0 40 HGAB Cc1ccc(OCC(=O)NC(=S)Nc2ccc(Br)cc2C(=O)O)cc1 16293567 POMGPBMWJJICKD-UHFFFAOYSA-N 423.288 3.348 0 40 HGAB COc1ccc(OC)c([C@@H]2C(C(N)=O)=C(C)Nc3nc(-c4cccc(C)c4)nn32)c1 16837302 DZBDHSURBHJOAP-LJQANCHMSA-N 405.458 3.045 0 40 HGAB COc1cc(CN2CCC[C@H](c3cc(N)n4nc(C)cc4n3)C2)cc(OC)c1OC 19129193 HEILMMFOMQKOKW-INIZCTEOSA-N 411.506 3.025 0 40 HGAB O=C1[C@@H]2[C@H](C(=O)N1c1cccc(C(F)(F)F)c1)[C@@H](c1ccccc1)N1CCCN21 19169142 LPQXAUCZLPZYGO-KURKYZTESA-N 401.388 3.241 0 40 HGAB O=C(c1cccnc1)N1CCC[C@@H]1c1nc(O)c2c(n1)CN(CC1CCCCC1)CC2 19337524 KNSJETDJLREJPW-OAQYLSRUSA-N 421.545 3.493 0 40 HGAB O=C(Cc1ccccc1)N[C@H](c1ccccn1)[C@H]1CCCN(C(=O)c2cnsc2)C1 19370343 MKEIJQNMPZBSBF-AVRDEDQJSA-N 420.538 3.491 0 40 HGAB CCC(C)(C)n1nnnc1[C@H](C(C)C)N1CCN(Cc2ccccc2OC)CC1 19499518 YEFXJKBRACTRNK-FQEVSTJZSA-N 400.571 3.342 0 40 HGAB CCn1nc(C)c([C@H](C)NC(=O)[C@H]2CC(=O)N(CCc3c[nH]c4ccccc34)C2)c1C 19523726 NJDOSFCGDKUMES-KXBFYZLASA-N 421.545 3.270 0 40 HGAB Cc1c(CN2CCC[C@@H](c3cc(C(=O)NCc4cccc(F)c4)on3)C2)cnn1C 19553690 BCMWSZZZIGSPSF-QGZVFWFLSA-N 411.481 3.165 0 40 HGAB COc1ccccc1CC(=O)N1CCC(c2nc(-c3ccsc3)cc(=O)[nH]2)CC1 19569511 DTCIZICYILUDEI-UHFFFAOYSA-N 409.511 3.456 0 40 HGAB Cc1c([C@@H](O)CN2CCC(O)(Cn3cnc4ccccc43)CC2)c2ccccc2n1C 19581794 VIKLMTOUBDCLTD-QHCPKHFHSA-N 418.541 3.397 0 40 HGAB CNc1cc([C@H]2CCCN(C(=O)c3ccc(COC)o3)C2)nc(-c2cccnc2)n1 19592184 PURHNGMCAMBXEY-INIZCTEOSA-N 407.474 3.340 0 40 HGAB Cc1c(C(=O)N2CCN(c3nc4ccccc4s3)CC2)cccc1N1CCOCC1 19664148 CKFAJPOALSNUKY-UHFFFAOYSA-N 422.554 3.404 0 40 HGAB CCc1cc2c(=O)n(CC(=O)Nc3cccc(C(=O)N4CCCC4)c3C)cnc2s1 19714941 SWZKCYLNWMQFJK-UHFFFAOYSA-N 424.526 3.204 0 40 HGAB COc1ccc([C@H]2CCCN2C(=O)CCC(=O)N2CC(=O)Nc3ccccc32)cc1 19718098 SRCXFODLEVQKGD-LJQANCHMSA-N 407.470 3.124 0 40 HGAB COCCC(=O)N1CCC[C@@H](c2ccc3c(NCc4cccc(C)n4)n[nH]c3n2)C1 19742758 SGUOEXSFHVZANG-MRXNPFEDSA-N 408.506 3.016 0 40 HGAB Cc1c(Cl)cccc1Nc1nc(N)nc(CN2CCN(Cc3ccccc3)CC2)n1 19899211 MCDVZCZUUWAKEP-UHFFFAOYSA-N 423.952 3.477 0 40 HGAB Cc1cc(S(=O)(=O)N2CCCCC2)ccc1OCC(=O)NCc1ccc(F)cc1 20022071 QIQJYTHAGVZBGX-UHFFFAOYSA-N 420.506 3.004 0 40 HGAB COC(=O)c1ccc(OCc2noc(C(=O)NCc3cccc(Cl)c3)n2)cc1 20744743 FSGPDWWFOJZNCB-UHFFFAOYSA-N 401.806 3.019 0 40 HGAB O=C(CCNS(=O)(=O)c1cccc(Br)c1)NCCC1=CCCCC1 21003127 VQIXDNVIWQFWKF-UHFFFAOYSA-N 415.353 3.124 0 40 HGAB CCN(CC)S(=O)(=O)c1cc(Cl)ccc1OCC(=O)N1CCC(C)CC1 22248845 WYVZVHWTFLZIGD-UHFFFAOYSA-N 402.944 3.008 0 40 HGAB COc1cc2c(cc1OC)CN([C@@H]1CC(=O)N(c3ccc(C)c(Cl)c3)C1=O)CC2 22609370 XQXZJHMELSJZTG-GOSISDBHSA-N 414.889 3.356 0 40 HGAB O=S(=O)(NC[C@H](c1ccc(F)cc1)N1CCOCC1)c1ccc2c(c1)CCCC2 23108140 OYSIFRQUJAIJJY-JOCHJYFZSA-N 418.534 3.056 0 40 HGAB CN(CC(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1)S(=O)(=O)c1ccccc1 24841670 NARFRBVHVZSPIA-UHFFFAOYSA-N 420.494 3.489 0 40 HGAB Cc1cc2nc(C)c(CCC(=O)Nc3ccc(S(=O)(=O)C(F)F)cc3)c(C)n2n1 25915134 FJRYRPXPYJCZRA-UHFFFAOYSA-N 422.457 3.222 0 40 HGAB O=C(/C=C/c1ccccc1OC(F)F)NCc1ccccc1CN1CCOCC1 29931860 DIRBYLCBBGIYBE-MDZDMXLPSA-N 402.441 3.450 0 40 HGAB O=C(CNC(=O)c1ccccc1Br)NCCCSc1ccccc1 31353801 RKRVWHSVVXZPKT-UHFFFAOYSA-N 407.333 3.478 0 40 HGAB COc1ccccc1N1C(SCc2ccccc2C)=N[C@@H]2CS(=O)(=O)C[C@@H]21 32641012 YUYTWIRGFKSZFM-AEFFLSMTSA-N 402.541 3.279 0 40 HGAB Cc1ccc(OCCCn2c(CN3CCOCC3)nc3ccccc3c2=O)cc1C 32815479 YKRZFKYJWOPFMD-UHFFFAOYSA-N 407.514 3.315 0 40 HGAB O=C(CNC(=O)c1ccccc1Cl)NCc1cccc(NC(=O)c2ccco2)c1 32830044 HZHFRCJDWRWYNQ-UHFFFAOYSA-N 411.845 3.232 0 40 HGAB CNS(=O)(=O)c1ccc(-c2ccc(CNCCCn3cnc4ccccc43)o2)cc1 32860473 UMVBTKOTKIABBI-UHFFFAOYSA-N 424.526 3.384 0 40 HGAB CN(C)[C@@H](CNC(=O)C1CCN(C(=O)Nc2ccccc2)CC1)c1cccs1 32970896 VQOYBCGFXZINQX-SFHVURJKSA-N 400.548 3.411 0 40 HGAB O=C1N[C@H](c2cccc(O)c2)[C@H](C(=O)c2ccc(Cl)cc2)[C@](O)(C(F)(F)F)N1 35828127 RDQLJCDEPOORFC-CPUCHLNUSA-N 414.767 3.150 0 40 HGAB CC(=O)N1CCCc2cc([C@@H](O)CN3CCN(c4ccc(F)cc4F)CC3)ccc21 36741208 PCRFBYGWXUSPKQ-QHCPKHFHSA-N 415.484 3.120 0 40 HGAB COC(=O)c1cc(NC(=O)[C@@H](C(C)C)N2C(=O)c3ccccc3C2=O)c(F)cc1F 40051095 MLNHHOPOMSOOGM-QGZVFWFLSA-N 416.380 3.011 0 40 HGAB Cc1ccc(NC(=O)c2cccc(CS(C)(=O)=O)c2)c(-c2nc(C3CC3)n[nH]2)c1 40150965 OUALWESPRKBFAM-UHFFFAOYSA-N 410.499 3.454 0 40 HGAB COc1cccc(C2=NO[C@@]3(CC(=O)N(c4ccc(Cl)cc4)C3=O)C2)c1OC 40287606 FUWGYPBCWFTVFA-HXUWFJFHSA-N 400.818 3.184 0 40 HGAB COc1ccc(NC(=O)COc2coc(CN3CCCCC3)cc2=O)cc1Cl 44903534 VGSAGJXGHSAMMW-UHFFFAOYSA-N 406.866 3.305 0 40 HGAB Cc1ccc([C@@H](C)NC(=O)[C@H]2CCN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cc1 44933592 WNHRPCBJQPFOIV-AUUYWEPGSA-N 422.934 3.443 0 40 HGAB Cc1ccc(F)cc1NC(=O)Cn1nc2c(Oc3ccccc3C)nccn2c1=O 49008638 WVTAHKRPUFFJHV-UHFFFAOYSA-N 407.405 3.078 0 40 HGAB Cc1ccc(N2C(=O)C[C@H](N3CCC(C(N)=O)(C4CCCCC4)CC3)C2=O)c(C)c1 51364632 MVOXWOUUVQMNSL-FQEVSTJZSA-N 411.546 3.083 0 40 HGAB COc1ccc(CNC(=O)N[C@H](C(=O)N2CCCCC2)c2ccccc2)cc1OC 56345703 LCVVTYFBTZNXKP-NRFANRHFSA-N 411.502 3.257 0 40 HGAB CC(=O)N1CCCc2cc([C@@H](O)CN3CCN(c4ccc(C)cc4C)CC3)ccc21 57811740 ZATSJGSPNMQGDT-VWLOTQADSA-N 407.558 3.458 0 40 HGAB COc1ccc(NC(=O)[C@@H]2C[C@H]2c2cccnc2)cc1S(=O)(=O)N1CCCCC1 58134858 WGIJORUTGCISHH-ZWKOTPCHSA-N 415.515 3.007 0 40 HGAB COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)c1ccc(C(N)=O)cn1)CC2 58423235 NKIKNYDOBATZAO-HXUWFJFHSA-N 423.494 3.047 0 40 HGAB O=C(c1n[nH]nc1Nc1ccccc1F)N1CCN(c2cccc(Cl)c2)CC1 67284445 AGMYZKVPCZXSHA-UHFFFAOYSA-N 400.845 3.303 0 40 HGAB CC(C)n1ncc2c1N=C(O)C[C@@H]2c1ccc(-c2ccc(S(N)(=O)=O)cc2)o1 71279323 MTBLQOYIKPPKMT-AWEZNQCLSA-N 400.460 3.495 0 40 HGAB O=C(Cn1nc(-c2ccccc2Cl)ccc1=O)NCCn1ccc2ccccc21 71284310 DDFIJEAAILVWEY-UHFFFAOYSA-N 406.873 3.335 0 40 HGAB COc1ccc(CNC(=O)[C@H](C)N2CCC(O)(c3ccccc3C)CC2)cc1OC 72304937 DTMRVQRHGUQWPO-SFHVURJKSA-N 412.530 3.001 0 40 HGAB CCOC(=O)c1c(NC(=O)CN2CCN(C)CC23CCCCC3)sc2c1CCC2 72308918 YCODTFVXBLKLEJ-UHFFFAOYSA-N 419.591 3.302 0 40 HGAB COc1ccc(/C=C/C(=O)OCC(=O)NCc2ccc(F)c(Cl)c2)cc1OC 72330822 ISXHJWJUHHNHGK-VMPITWQZSA-N 407.825 3.369 0 40 HGAB O=C(c1cc[nH]n1)N1CC[C@H](c2cc(CCOc3cccc(C(F)(F)F)c3)[nH]n2)C1 72380211 NWSKLWUHYKEDFO-ZDUSSCGKSA-N 419.407 3.403 0 40 HGAB COc1ccc(S(=O)(=O)CCNC(=O)c2sc(C)nc2-c2ccccc2)cc1 72405097 DGOPNLMITWGKSG-UHFFFAOYSA-N 416.524 3.331 0 40 HGAB COc1ccc(CN2CC[C@@H](NC(=O)CSCc3cccc(Cl)c3)C2=O)cc1 78813792 IUVNAXFBDBCYEO-LJQANCHMSA-N 418.946 3.499 0 40 HGAB C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCN(Cc2nc3ccc(Cl)cc3c(=O)[nH]2)C1 95995449 BGEWOMDKKDSXRI-OLZOCXBDSA-N 406.914 3.312 0 40 HGAB O=C(CN1C(=O)S/C(=C/c2ccccc2)C1=O)Nc1ccc(N2CCOCC2)cc1 96583641 QBRNXYYWDSJBTG-XMHGGMMESA-N 423.494 3.198 0 40 HGAB Cc1cc(S(=O)(=O)Oc2cccc(I)c2)cnc1Cl 97575846 BGSYDMTZEVLNAF-UHFFFAOYSA-N 409.632 3.416 0 40 HGAB Cc1ccc([C@H]2OC[C@H]3O[C@@H](c4ccc(C)c(C)c4)O[C@@H]([C@@H](O)CO)[C@H]3O2)cc1C 100041445 YWEWWNPYDDHZDI-DVZKKUMJSA-N 414.498 3.170 0 40 HGAB CCCS(=O)(=O)N1CCC[C@@H](C(=O)N[C@H](c2ccccc2)c2ccc(F)cc2)C1 109039005 YPAUWXGHTAPXTK-TZIWHRDSSA-N 418.534 3.483 0 40 HGAB CCc1ccc(N([C@@H](C)C(=O)NCCSCc2ccccc2)S(C)(=O)=O)cc1 220267080 GZTRTOORDITLBG-KRWDZBQOSA-N 420.600 3.453 0 40 HGAB Cc1ccc(C(=O)N[C@H]2CC(C)(C)Oc3ccccc32)cc1N(C)S(C)(=O)=O 222461248 TWHRSJMKRPPKIK-KRWDZBQOSA-N 402.516 3.423 0 40 HGAB COc1ccc(CN(C)C(=O)CCc2ccc(S(=O)(=O)NC(C)(C)C)cc2)cc1 222867102 XSOZXYNZIDRVIA-UHFFFAOYSA-N 418.559 3.363 0 40 HGAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)OC(C)C)ccc2NCCCO)cc1 223421835 GYNOGUJKUKQAIA-UHFFFAOYSA-N 406.504 3.155 0 40 HGAB CC(C)CNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)COc1ccc(F)cc1 224514472 XZEOQDGUWSOBCV-SFHVURJKSA-N 400.494 3.437 0 40 HGAB Cc1cccc(N(CC(=O)Nc2ccc(OC(F)(F)F)cc2)S(C)(=O)=O)c1 224860859 YUSMMWWLNYSJFF-UHFFFAOYSA-N 402.394 3.298 0 40 HGAB Cc1ccc2c(c1)[C@@H](NS(=O)(=O)c1nnc(NC(=O)C(C)C)s1)CC(C)(C)O2 224993232 LVXATMCQWNVGRU-ZDUSSCGKSA-N 424.548 3.022 0 40 HGAB O=S(=O)(Cc1ccc(C(F)(F)F)cc1)NCC1CCN(C2CCOCC2)CC1 252538939 NKDKMXLZFUVTDC-UHFFFAOYSA-N 420.497 3.016 0 40 HGAB O=C(COc1ccc2c(c1)OCO2)N1CCCC2=C[C@H]3C[C@H](CN4CCCC[C@H]34)[C@H]21 257199159 VBSIUGOTPKTTKF-UOUMEPNKSA-N 410.514 3.216 0 40 HGAB CCNC(=O)Cc1c(C)nc([C@@H]2CCCN(C(=O)c3ccccc3OCC)C2)nc1C 257314275 UWDVDAIBEMSBRG-GOSISDBHSA-N 424.545 3.191 0 40 HGAB O=C(Cn1cccnc1=O)N1CCCC[C@@H]1c1ncc(Cc2cccc(Cl)c2)o1 257335883 YMHDLAZIHQGIRX-GOSISDBHSA-N 412.877 3.229 0 40 HGAB CCOc1cc(/C=C2\S[C](Nc3ccccc3F)NC2=O)ccc1OCC(=O)O 408802098 CXWXAODJWITUPI-UHFFFAOYSA-N 417.438 3.451 0 40 HGAB CCOC1(c2nc([C@H]3CCCO3)no2)CCN(Cc2cn3cc(C)ccc3n2)CC1 583615870 HODRIPWZIPRGTB-GOSISDBHSA-N 411.506 3.405 0 40 HGAB Cc1ccccc1S(=O)(=O)N1CCC2(CC1)CO[C@H](CN1CCC[C@@H](C)C1)C2 585103136 DNEQXRQMXJZJHX-QUCCMNQESA-N 406.592 3.287 0 40 HGAB O=c1ccc(-c2ccncc2)nn1CC1CCN(c2cc(C(F)(F)F)ncn2)CC1 585500959 UKCJQJVJHRRVRP-UHFFFAOYSA-N 416.407 3.031 0 40 HGAB CCN1CCO[C@H](CN[C@H](C(=O)Nc2ccc(OC)c(Cl)c2)c2ccccc2)C1 602589768 FWQFIVXWFADHHN-NQIIRXRSSA-N 417.937 3.339 0 40 HGAB COc1ccc(CN2CC[C@H](Nc3nc(-c4ccccn4)nc4c3CCC4)C2=O)cc1 604883085 NTOKTJLJTRIVPD-NRFANRHFSA-N 415.497 3.249 0 40 HGAB Cn1c(=O)oc2ccc(S(=O)(=O)N[C@H](c3ccsc3)c3cccs3)cc21 618255343 BDUNHWUIIDARHU-MRXNPFEDSA-N 406.510 3.322 0 40 HGAB O=C1COC[C@]2(CN(Cc3cccc(C(F)(F)F)c3)CCO2)CN1c1ccccc1 2037983620 AONMZPKMBBTHIB-NRFANRHFSA-N 420.431 3.340 0 40 HGAB COc1ccc(CN2CCO[C@]3(CCCCN(c4ccccc4)C3=O)C2)c(OC)c1 2037984241 VHYCTIYRBSOTPY-XMMPIXPASA-N 410.514 3.492 0 40 HGAB O=C(c1cccc(Br)c1)N1N=C(C(F)(F)F)C[C@@]1(O)c1cccnc1 713094 IEPZKEZQHMGWMW-OAHLLOKOSA-N 414.181 3.454 0 40 HGAB O=C(NC[C@@H]1CCCO1)c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1 780546 WJORMUYJKBWZLY-NZQKXSOJSA-N 410.539 3.412 0 40 HGAB COc1cc(NC(=O)CSc2nc3sc(C)c(C)c3c(=O)[nH]2)cc(OC)c1 1368248 QHMMPLBBUDKINE-UHFFFAOYSA-N 405.501 3.349 0 40 HGAB Cc1cc2occ(CC(=O)NCCc3ccc(S(N)(=O)=O)cc3)c2cc1C(C)C 2726283 FNMGOHZRWAJIAQ-UHFFFAOYSA-N 414.527 3.413 0 40 HGAB COc1ccc(Br)c(C(=O)OCC(=O)Nc2ccc(NC(C)=O)cc2)c1 3343041 AXRGEDIDUDKHHR-UHFFFAOYSA-N 421.247 3.212 0 40 HGAB O=C(COC(=O)C[C@@H]1Sc2ccccc2NC1=O)N[C@@H]1CCCc2ccccc21 3504602 UBONZWRHXYWMSI-APWZRJJASA-N 410.495 3.227 0 40 HGAB C[C@]12C(=O)N(c3ccc(C(=O)NC4CC4)cc3)C(=O)N1CCc1c2[nH]c2ccccc12 4073287 IFUWFIZDNOJRDU-DEOSSOPVSA-N 414.465 3.300 0 40 HGAB biogenic O=C(COc1ccccc1C(=O)NC[C@H]1CCCO1)NC12CC3CC(CC(C3)C1)C2 4512290 STSZZKCKWYPCQT-LAHWMRIESA-N 412.530 3.059 0 40 HGAB CN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](C(=O)C13CC4CC(CC(C4)C1)C3)N1c3ccccc3C=C[C@H]21 4623286 UFSVEZBGPOFWFW-VGUQVWIESA-N 416.521 3.287 0 40 HGAB Cc1cc(C)c(S(=O)(=O)Nc2ccc(N3CCCCS3(=O)=O)cc2)c(C)c1 5250690 VDDHAFAJGUGOLR-UHFFFAOYSA-N 408.545 3.343 0 40 HGAB O=C(OC/C=C/c1ccccc1)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 5435770 OFLWYFRQBJQJGW-RMKNXTFCSA-N 410.495 3.104 0 40 HGAB O=C(c1ccccc1)N(Cc1cccc(Br)c1)[C@H]1CCS(=O)(=O)C1 5576690 QUOSATNCPHOVHU-KRWDZBQOSA-N 408.317 3.279 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)Sc3ccccc3)CC2)cc1 5823873 UJFHDWSWUMBDSM-KRWDZBQOSA-N 404.557 3.009 0 40 HGAB CCc1nnc2n1N[C@@H](c1ccc(F)cc1)[C@@H](C(=O)Nc1ccccc1OC)S2 6812135 QNHCMLLCIKAYSA-ROUUACIJSA-N 413.478 3.386 0 40 HGAB CC(C)[C@H](C)NC(=O)CSc1nc2cc(Cl)ccc2c(=O)n1C[C@@H]1CCCO1 6882121 ZKBDWDZVIZCVEG-ZFWWWQNUSA-N 423.966 3.482 0 40 HGAB COc1ccc(C(=O)Cn2cnc3ccc(Br)cc3c2=O)cc1OC 7392251 XEQVMPRJVZORQG-UHFFFAOYSA-N 403.232 3.059 0 40 HGAB COc1cccc(NC(=O)COc2ccc(C(=S)N3CCCC3)cc2OC)c1 8167725 UZPINNIKXVVRSY-UHFFFAOYSA-N 400.500 3.493 0 40 HGAB CCOC(=O)C1=C(C)NC(=O)C[C@H]1C(=O)Nc1cc(C(F)(F)F)ccc1Cl 8570149 TVJBCVKPSQCUFZ-SNVBAGLBSA-N 404.772 3.271 0 40 HGAB Cn1c(=O)oc2ccc(S(=O)(=O)Nc3ccc(C(=O)c4cccs4)cc3)cc21 8783075 VZTVDRYHZFYGSU-UHFFFAOYSA-N 414.464 3.225 0 40 HGAB COC(=O)c1ccc(NC(=O)C2CCN(CC(=O)Nc3ccc(C)cc3C)CC2)cc1 9071693 OOMLFUXORNNIMX-UHFFFAOYSA-N 423.513 3.379 0 40 HGAB CCOc1ccc(-c2noc(CN(CCc3ccccc3)S(C)(=O)=O)n2)cc1 9227481 LPWAGRVDMFZBHZ-UHFFFAOYSA-N 401.488 3.140 0 40 HGAB COc1ccc(S(=O)(=O)NCC2(N3CCCCC3)CCCCC2)cc1NC(C)=O 9683295 WMERSVUWLBFLRS-UHFFFAOYSA-N 423.579 3.121 0 40 HGAB CCCn1c(SCC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)n[nH]c1=O 9872331 TUFMVANXZURCMB-UHFFFAOYSA-N 404.492 3.144 0 40 HGAB CCn1c(SCC(=O)c2c[nH]c(C(=O)N3CCCC3)c2)nnc1-c1ccoc1C 9996219 QLTRLWZHOOPANF-UHFFFAOYSA-N 413.503 3.406 0 40 HGAB CC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)/C=C/c2ccc3c(c2)OCO3)cc1 10000396 LHLYSFOINCERLP-GJIAFCOMSA-N 402.472 3.144 0 40 HGAB Cc1cc(C)c(NC(=O)CN(C)[C@@H]2CC(=O)N(c3c(C)cccc3C)C2=O)c(C)c1 10168921 ADJDMRRAYIYUJM-LJQANCHMSA-N 407.514 3.431 0 40 HGAB CN(C)[C@H](CNS(=O)(=O)c1ccc(Br)cc1)c1ccc(F)cc1 10335393 RDPCYYKSKPCDBE-MRXNPFEDSA-N 401.301 3.169 0 40 HGAB CCOc1ccc([C@@H](C)NS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1OCC 10543976 GCLGIWJTBGRUJZ-CQSZACIVSA-N 406.504 3.482 0 40 HGAB NC(=O)N[C@@H](CC(=O)OCc1cc(=O)oc2cc3c(cc12)CCC3)c1ccccc1 11938791 UEKCATVBUHWHNJ-IBGZPJMESA-N 406.438 3.125 0 40 HGAB O=C1CCc2cc(S(=O)(=O)NCc3ccccc3CN3CCCCC3)ccc2N1 12362517 MWGYZCCKEXLLFT-UHFFFAOYSA-N 413.543 3.036 0 40 HGAB Cc1ccc(C(=O)NCC(=O)N[C@H](c2ccc(Cl)cc2)c2nccn2C)cc1C 12559785 XVDGFXPUFCYKLD-HXUWFJFHSA-N 410.905 3.326 0 40 HGAB CC[C@@H](NC(=O)c1cc(S(N)(=O)=O)ccc1C)c1ccc(Br)cc1 12793044 SSPUHQRCISVACL-MRXNPFEDSA-N 411.321 3.286 0 40 HGAB COc1ccc(S(=O)(=O)N(CC(=O)N2CCC[C@H](C)C2)c2ccc(C)cc2)cc1 12854553 OLOBERHBXXOTOP-SFHVURJKSA-N 416.543 3.457 0 40 HGAB CSCC[C@H](NC(=O)c1ccco1)C(=O)Nc1ccc(C(=O)OC(C)C)cc1 12976036 QQOCJQBWHYZTPR-INIZCTEOSA-N 404.488 3.335 0 40 HGAB O=C(CSc1ncnc2sccc12)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O 13416609 HYGHBLNECXVOTN-OAHLLOKOSA-N 412.496 3.077 0 40 HGAB O=C(CS(=O)(=O)c1ccc(F)cc1)Nc1nc(-c2ccc3c(c2)OCO3)cs1 16048021 WDGCMVCOFITSOQ-UHFFFAOYSA-N 420.443 3.090 0 40 HGAB COc1cc2c(cc1OC)[C@H](c1c(O)[nH]c(=S)n(C3CCCCC3)c1=O)NCC2 17197448 XJUKIFZZMNYBHQ-GOSISDBHSA-N 417.531 3.369 0 40 HGAB COc1ccc2[nH]cc(CCN[C@@H]3CC(=O)N(c4ccc(F)c(Cl)c4)C3=O)c2c1 18088193 MFTJXYFTFZAVEY-LJQANCHMSA-N 415.852 3.433 0 40 HGAB COc1ccc(CC(=O)N[C@H](Cc2cc(=O)[nH]c(C)n2)c2ccc(Cl)cc2)cc1 19285298 GRFCWMWNUJDKPI-HXUWFJFHSA-N 411.889 3.383 0 40 HGAB COc1cccc(CC(=O)N2C[C@@H](c3cc(=O)[nH]c(C)n3)[C@H](c3ccccc3F)C2)c1 19285521 ACTXICFKQRYOEM-VQTJNVASSA-N 421.472 3.178 0 40 HGAB O=C(NC1CCC(O)CC1)[C@@H]1CN(Cc2ccccc2)C[C@H]1C(=O)c1ccc(F)cc1 19372521 CPORERBKTMTMLM-BWWMBTDCSA-N 424.516 3.176 0 40 HGAB COc1ccccc1C1=NO[C@H](CC2(C(=O)NCCc3ccncc3)CCOCC2)C1 19569378 DABLKBYRVDAYDG-IBGZPJMESA-N 423.513 3.129 0 40 HGAB Cc1cc(C)n(CCCC(=O)N2CCC3(CC2)OCCc2cnc(C(C)C)nc23)n1 19574026 RGAVWUMQGCVTFS-UHFFFAOYSA-N 411.550 3.284 0 40 HGAB Cc1ccc(C)c2c1cc(C(=O)Nc1cccc(NC(=O)CN3CCOCC3)c1)n2C 19663310 KUMKEOMKYXBKOM-UHFFFAOYSA-N 420.513 3.318 0 40 HGAB O=C1C[C@@H](N2CCCCCCC2)C(=O)N1c1ccc(I)cc1 19890539 HWGLPTMGGIWZIY-OAHLLOKOSA-N 412.271 3.189 0 40 HGAB CC[C@H](Oc1cccc(C)c1C)C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21 19933608 DLEDTTPDIWSPGU-FQEVSTJZSA-N 416.543 3.300 0 40 HGAB COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)C(=O)Nc1cc(F)ccc1C 20016432 BIKVUVGMOZVXHH-NSHDSACASA-N 400.859 3.102 0 40 HGAB CCNS(=O)(=O)c1cc(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)ccc1OC 20024935 DGYVFPUIZUHOST-UHFFFAOYSA-N 420.384 3.404 0 40 HGAB CCOC(=O)c1cc(NC(=O)[C@H](C)N(c2ccccc2)S(C)(=O)=O)ccc1Cl 20038613 HLSUZXACPIULOA-ZDUSSCGKSA-N 424.906 3.310 0 40 HGAB CCOc1ccccc1N(CC(=O)N[C@H](CC)c1ccc(C)cc1)S(C)(=O)=O 20043552 DSKRGKLEGMUZPY-GOSISDBHSA-N 404.532 3.427 0 40 HGAB CCOc1ccccc1NC(=O)[C@H]1CCCN1S(=O)(=O)c1cc(OC)ccc1C 22229913 MAFHURLKDNKGIC-GOSISDBHSA-N 418.515 3.194 0 40 HGAB C[C@@H](c1nc2ccccc2n1C(F)F)N1CCN(CC(=O)N2CCCCC2)CC1 23023155 GVGCEGBLSGHUKQ-INIZCTEOSA-N 405.493 3.123 0 40 HGAB O=C(NCc1ccc(F)cc1)c1nnn(-c2ccccc2)c1CSc1ncccn1 23109166 ZWTAUWDXMZCKNC-UHFFFAOYSA-N 420.473 3.419 0 40 HGAB CCOc1ccc(S(=O)(=O)NCC2CCN(Cc3ccccc3)CC2)cc1F 23127658 NXMQEIAORLGSKR-UHFFFAOYSA-N 406.523 3.415 0 40 HGAB O=C(NCc1ccccc1)C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1 24607383 FZTHCMLRHZJQSK-UHFFFAOYSA-N 406.935 3.198 0 40 HGAB Cc1ccc(CS(=O)(=O)N2CCC(C(=O)N3CCc4ccccc4C3)CC2)cc1 24609315 YISIUPPFQNLGJL-UHFFFAOYSA-N 412.555 3.122 0 40 HGAB Cc1ccc2nc(C)c(C(=O)Nc3ccc(NC(=O)CN4CCOCC4)cc3)cc2c1 25077135 DMPVTPANAZQHBG-UHFFFAOYSA-N 418.497 3.375 0 40 HGAB COc1cc(Cn2nc(-c3ccc(F)cc3)oc2=O)c(OC)cc1Br 26481488 YOMDDFVZZQJJTB-UHFFFAOYSA-N 409.211 3.470 0 40 HGAB O=C(NCC(F)(F)F)c1ccccc1NC(=O)[C@@H]1CCCN(C(=O)c2ccco2)C1 27407346 AGKGRINRHNWMGW-CYBMUJFWSA-N 423.391 3.063 0 40 HGAB O=c1nc(SCc2ccc(Cl)cc2)c2c(n1[C@H]1CCS(=O)(=O)C1)CCC2 27795618 UTTHLWHHZMGRGA-AWEZNQCLSA-N 410.948 3.037 0 40 HGAB Cc1nn(-c2ncnc3[nH]cnc23)c2c1[C@H](c1cccc(OCC(C)C)c1)CC(=O)N2 31812102 QQMZHMCRRAQUSR-INIZCTEOSA-N 417.473 3.356 0 40 HGAB Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccc(N3CCCC3)cc2C)cc1 33028193 WATYEPGETIDDNZ-QGZVFWFLSA-N 401.532 3.209 0 40 HGAB CC[C@@H](C)NC(=O)c1ccccc1NS(=O)(=O)c1cc(C(=O)O)cc(C)c1C 35296282 NIRKNIQUWPNLTB-CYBMUJFWSA-N 404.488 3.331 0 40 HGAB O=C(Nc1nc2ccc(OC(F)(F)F)cc2s1)C1(n2cnnn2)CCCCC1 36360322 ABELIFOALWNVDO-UHFFFAOYSA-N 412.397 3.480 0 40 HGAB COC(=O)c1cc(-c2cn(C)nc2C)nc2c1c(=O)[nH]c(=S)n2-c1cccc(C)c1 36617225 QFRJPFTVXIXBTM-UHFFFAOYSA-N 421.482 3.247 0 40 HGAB Cc1ccc(N2CN(CCCO)Cn3c2nc(C)c(Cc2ccccc2)c3=O)cc1 38829889 XWUPQKMXBBNGCR-UHFFFAOYSA-N 404.514 3.202 0 40 HGAB COc1ccccc1N1CCN(C(=O)C2CCN(Cc3ccccc3F)CC2)CC1 39745550 PLVONHJTHMFKPM-UHFFFAOYSA-N 411.521 3.395 0 40 HGAB CC1CCN(C(=O)Cn2c(=O)n(-c3ccc(Cl)cc3)c(=O)c3sccc32)CC1 57491717 AUSIBYYXGFXNRQ-UHFFFAOYSA-N 417.918 3.126 0 40 HGAB Cc1cc(N[C@@H](C)C(=O)N2CCN(C(=O)c3ccco3)CC2)ccc1Br 57693034 HYNRPEYAVYRUJX-AWEZNQCLSA-N 420.307 3.136 0 40 HGAB CC(=O)Nc1cc(-c2ccccc2)nn(CC(=O)Nc2ccc(C)c(Cl)c2)c1=O 64604833 RGLINZPJCFVWNT-UHFFFAOYSA-N 410.861 3.469 0 40 HGAB COc1cccc(N2C(=O)C[C@@H](c3ccc4c(c3)OCO4)c3sc(=O)n(C)c32)c1 66089815 IPYUNFLVZDXZDE-HNNXBMFYSA-N 410.451 3.384 0 40 HGAB CCc1ccc(NC(=O)Cn2cnc3nc(N4CCC[C@H](C)C4)sc3c2=O)cc1 67226045 NMKPZFXHVVXWKL-AWEZNQCLSA-N 411.531 3.290 0 40 HGAB CCOc1ccc(-n2ccn(CC(=O)Nc3ccccc3C(C)C)c(=O)c2=O)cc1 67256154 FIPVKDDMCKNEOE-UHFFFAOYSA-N 407.470 3.160 0 40 HGAB COC(=O)[C@H](Cc1c[nH]c2ccc(Br)cc12)NC(=O)[C@@H]1CC=CCC1 72306769 UQNTXBVDFKCBID-PXAZEXFGSA-N 405.292 3.487 0 40 HGAB CCOc1ccc(CCC(=O)N2CCC(c3n[nH]c4nccnc34)CC2)cc1OCC 72393792 TVCPGXLJFKSRNX-UHFFFAOYSA-N 423.517 3.489 0 40 HGAB O=C(NC1(c2ccccc2)CCC1)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 84525161 JSSKJUDHACUAHZ-KRWDZBQOSA-N 416.518 3.422 0 40 HGAB Cc1ccc(S(N)(=O)=O)cc1NC(=O)CN[C@@H](c1ccccc1)C1CCCCC1 89644433 FCMILTNGHOMPCQ-QFIPXVFZSA-N 415.559 3.492 0 40 HGAB Fc1cccc(F)c1-c1n[nH]cc1CN1CCCN(Cc2noc(C3CC3)n2)CC1 95430514 AKBRKIBJZAQWNE-UHFFFAOYSA-N 414.460 3.323 0 40 HGAB Cn1c(CN2CCCCCC2)cc(=O)c(O)c1CN1CCO[C@@H](c2ccccc2)C1 95480129 ZXTUUBLLUHUDIF-HSZRJFAPSA-N 411.546 3.040 0 40 HGAB CC(C)(C)OC(=O)N1CCC(C(=O)NCC2CCCC2)(C(=O)NCC2CCCC2)C1 95983435 QIZJYNRCNJDELB-UHFFFAOYSA-N 421.582 3.226 0 40 HGAB Cn1cc(-c2nc([C@@H]3CCCCCN3C(=O)c3ccc4c(c3)COCO4)no2)cn1 96001843 DDLTUNUJRBGURS-KRWDZBQOSA-N 409.446 3.094 0 40 HGAB COc1ccc(S(=O)(=O)C2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)cc1 96099622 JIHVGVRMYVAHJJ-UHFFFAOYSA-N 412.511 3.184 0 40 HGAB C[C@]12NC(=S)N[C@@H](c3cc(Br)ccc3O1)[C@@H]2C(=O)Nc1ccccc1 100870333 TWSWFATZOVQBPS-VKJFTORMSA-N 418.316 3.331 0 40 HGAB Cc1cc(NC(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)n(-c2cccc(Cl)c2)n1 105979632 HDFIVTQULOVVKP-LLVKDONJSA-N 400.788 3.183 0 40 HGAB CCc1ccc(N(CCCC(=O)Nc2ccc3c(c2)OCO3)S(C)(=O)=O)cc1 222641369 JTASBCUBOGFONP-UHFFFAOYSA-N 404.488 3.163 0 40 HGAB COc1cc2c(cc1S(=O)(=O)N[C@H](C)c1ccc3c(c1)OCCO3)CCCC2 222741480 NETVASJJFKENIU-CQSZACIVSA-N 403.500 3.385 0 40 HGAB CC(C)C(=O)N(Cc1ccc(Cl)cc1)[C@@H](Cc1ccccc1)C(=O)NCCCO 223131039 UVZUBXQXARPHJE-NRFANRHFSA-N 416.949 3.435 0 40 HGAB CCOC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc3c(c2)CCCN3C(C)=O)c1 223847501 GCTUAKKCYKPGDO-UHFFFAOYSA-N 416.499 3.272 0 40 HGAB COCCn1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc2c(c1)OCO2 224007837 CXBWXBBZESRGHE-NHCUHLMSSA-N 422.510 3.435 0 40 HGAB Cc1cc(C(=O)Nc2ccccc2C(N)=O)ccc1N(C)S(=O)(=O)c1ccccc1 224200501 PCBVVIDYRMJCFF-UHFFFAOYSA-N 423.494 3.171 0 40 HGAB CCc1ccccc1N(CCCC(=O)NCCOc1ccccc1C)S(C)(=O)=O 224660701 QUQKWWZBDVIWJV-UHFFFAOYSA-N 418.559 3.299 0 40 HGAB Cc1ccc(N([C@@H](C)C(=O)Nc2ccc(N3CCCC3)cc2)S(C)(=O)=O)cc1 224910206 MCTHCXCPYGUJIB-KRWDZBQOSA-N 401.532 3.388 0 40 HGAB Cc1cc(N(CC(=O)O)S(=O)(=O)c2ccc(F)cc2)ccc1Br 224914993 FPTHCWNDWWYDMZ-UHFFFAOYSA-N 402.241 3.177 0 40 HGAB CCOC[C@]1(N)[C@H](c2ccc(Br)cc2)[C@H]1S(=O)(=O)c1ccccc1 242543316 JWRTZKAFAOVYFU-KURKYZTESA-N 410.333 3.123 0 40 HGAB Cc1noc(C)c1CCC(=O)N1[C@@H](c2ccccc2)C[C@@]2(C)[C@@H](O)[C@H](O)CCC[C@@H]12 257219389 DGPSZIRMGOFHQD-AJTZHXEGSA-N 412.530 3.478 0 40 HGAB CCC(CC)C(=O)N1CC[C@H](c2nc(C)c(CC(=O)NC3CCCC3)c(C)n2)C1 257264739 LVVUIAUHLUWMSY-SFHVURJKSA-N 400.567 3.447 0 40 HGAB COc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)C(C)C)c2ccccc2OC)cc1 260895043 HPPMSMVIZSPGIR-MRXNPFEDSA-N 420.531 3.060 0 40 HGAB COc1ccc(-c2ccc3c([C@H]4CN(Cc5cccs5)CCN4C)nnn3c2)cn1 306144097 YVYWPDWJIDXJHB-HXUWFJFHSA-N 420.542 3.350 0 40 HGAB COc1ccc([C@@H]2[C@H](NC(=O)c3ccc(C)cc3)C(=O)N/[N+]2=C\c2ccccc2)cc1 409060440 VEUWPXRMHZBIRG-HFXBMHRVSA-O 414.485 3.020 0 40 HGAB Cc1ccc(NC(=O)c2cnn(-c3ccc(O)nn3)c2C)cc1NC(=O)C(C)(C)C 522047559 NFLAEENWFBPKHG-UHFFFAOYSA-N 408.462 3.222 0 40 HGAB C[C@@]12C[C@@H](c3ccccc3O1)[C@@H](C(N)=O)C(=O)N2CCCn1ccc2ccc(F)cc21 524734850 RKUVHGNYVUAZJC-XZOYJPPVSA-N 421.472 3.397 0 40 HGAB CN(C)C(=O)CN1CCC[C@@]12CCCN(C(=O)c1cc3ccccc3cc1O)CC2 585100773 WCMFSOKUSAMFIC-XMMPIXPASA-N 409.530 3.094 0 40 HGAB O=S(=O)(NC[C@H](O)c1ccc(-c2cccs2)s1)c1ccc2c(c1)OCCO2 585148322 YXFXAROREPZGBF-ZDUSSCGKSA-N 423.537 3.260 0 40 HGAB Cn1nccc1-c1ccc(CNS(=O)(=O)Cc2cccc(C(F)(F)F)c2)cn1 606440598 GGAJQSVEEZOJNJ-UHFFFAOYSA-N 410.421 3.121 0 40 HGAB C[C@]1(C2CCN(Cc3ccc(C(=O)O)cc3)CC2)CN(c2ccccc2)C(=O)CO1 618016873 HLEAIQFSJVWHNO-XMMPIXPASA-N 408.498 3.419 0 40 HGAB COCCN(C[C@H]1CCCN2CCCC[C@@H]12)C(=O)Nc1ccc(C(=O)OC)cc1 1565520551 WBAKMLPKKFXQPV-QUCCMNQESA-N 403.523 3.218 0 40 HGAB biogenic C[C@@H]1[C@H](NC(=O)N[C@H](CC(N)=O)c2ccc(Cl)cc2)CCN1Cc1ccccc1 1683098957 AFISJJCXQDITIY-CDHQVMDDSA-N 414.937 3.219 0 40 HGAB Brc1cnc(OC[C@@H]2CCCN(Cc3ccc4c(c3)OCCO4)C2)nc1 1776009343 FGGGBXBAABCKLG-OAHLLOKOSA-N 420.307 3.301 0 40 HGAB CCc1nnc(NC(=O)CSc2nnc(COc3ccccc3)n2CC)s1 908397 SVMUYHVZJCBLLX-UHFFFAOYSA-N 404.521 3.022 0 40 HGAB CN(C)C(=O)CSc1nnc([C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)o1 2394157 LSIPGFNXZVWSMT-AWEZNQCLSA-N 406.508 3.058 0 40 HGAB CC1CCC2(CC1)NC(=O)N(CCS(=O)(=O)Oc1ccc3ccccc3c1)C2=O 2643558 CXTZWAYNHFXXFJ-UHFFFAOYSA-N 416.499 3.049 0 40 HGAB O=C(CCOc1ccccc1F)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 3306504 ZHDKKCXFVFOGCR-UHFFFAOYSA-N 421.475 3.491 0 40 HGAB C[C@@H](C(=O)N1CCCc2ccccc21)N1C(=O)N[C@@]2(CCCc3ccccc32)C1=O 3359311 DENLJLYFLGRLJI-UPCLLVRISA-N 403.482 3.138 0 40 HGAB CSCC[C@H]1NC(=O)N(CC(=O)N[C@@H](C)c2ccc(-c3ccccc3)cc2)C1=O 3398584 VWMXSZGVHYIXLH-HNAYVOBHSA-N 411.527 3.204 0 40 HGAB CN(CC(=O)Nc1ccccc1Cl)S(=O)(=O)c1cccc(Br)c1 3425823 CZVZOASPMSOIBV-UHFFFAOYSA-N 417.712 3.362 0 40 HGAB COc1ccc(C)cc1-n1nnnc1SCC(=O)N[C@@H]1CCCc2ccccc21 3491387 ACSUUXCUEXOYPI-QGZVFWFLSA-N 409.515 3.265 0 40 HGAB Cc1ccc(NC(=O)C[C@H]2CS(=O)(=O)C[C@@H]2CC(=O)Nc2ccc(C)cc2)cc1 4159579 JBEQYWUUZSPINP-ROUUACIJSA-N 414.527 3.322 0 40 HGAB O=C(C[C@]1(O)C(=O)N(CCc2ccccc2)c2ccccc21)c1ccc2c(c1)OCO2 4553480 WECLRVHTLBFMSO-RUZDIDTESA-N 415.445 3.465 0 40 HGAB CCn1c(SCC(=O)Nc2ccc3c(c2)OCCO3)nnc1-c1ccoc1C 4560620 LBWIWKNWRKIWPG-UHFFFAOYSA-N 400.460 3.368 0 40 HGAB O=C(NCCc1ccccc1)[C@H](C(=O)c1ccc(F)cc1)n1cc(Cl)ccc1=O 4679534 JCMAAJFVVGXMFP-FQEVSTJZSA-N 412.848 3.424 0 40 HGAB COc1ccc(-c2noc(CN(C)C(=O)[C@H](C)Oc3cccc(C)c3)n2)cc1OC 4943904 JKOLCYYTMZMJOB-HNNXBMFYSA-N 411.458 3.488 0 40 HGAB O=C(N[C@@H]1CCCc2ccccc21)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 4982740 JCVOHAUNFMEJPO-IFMALSPDSA-N 412.555 3.422 0 40 HGAB CCCCCCn1c(=O)c2c(nc3n2CCN3c2ccc(OCC)cc2)n(C)c1=O 5083048 TWIOTJKSJOFIRT-UHFFFAOYSA-N 411.506 3.027 0 40 HGAB COc1ccc(NC(=O)c2cccnc2SC)cc1S(=O)(=O)N1CCCCC1 5578768 INNBRWFLEQLDKT-UHFFFAOYSA-N 421.544 3.239 0 40 HGAB Cc1cc(C(=O)CN2C(=O)C(=O)N(C3CCCC3)C2=O)c(C)n1Cc1ccccc1 5628701 XVCSWTJMTMWNNC-UHFFFAOYSA-N 407.470 3.069 0 40 HGAB CCN(CC)C(=O)C1=C(C)NC(=S)N[C@H]1c1cc(Br)ccc1OC 7553570 OMEGJQZFYIDWAZ-HNNXBMFYSA-N 412.353 3.119 0 40 HGAB COc1ccc(CN(C)[C@@H](C)C(=O)N(C)CC(=O)Nc2ccc(C)cc2)cc1F 7978298 ALGIRWCEHCXFSY-INIZCTEOSA-N 401.482 3.060 0 40 HGAB O=C(CN1CCC(c2nc3ccccc3s2)CC1)NC[C@@H]1COc2ccccc2O1 8076276 ZSUPDKXRVSCOQD-QGZVFWFLSA-N 423.538 3.432 0 40 HGAB COc1ccc(C(=O)c2ccccc2)c(OCC(=O)NCc2ccc3c(c2)OCO3)c1 8265649 AOCSYPRMALRTNV-UHFFFAOYSA-N 419.433 3.350 0 40 HGAB CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)CSc1nccn1C 8719727 SOYIGFXKNFZSEX-UHFFFAOYSA-N 420.844 3.282 0 40 HGAB CSCC[C@H](NC(=O)c1ccccc1)C(=O)Nc1ccc(N2CCOCC2)cc1 9379146 DXCPREYLRLRVAE-FQEVSTJZSA-N 413.543 3.013 0 40 HGAB Cc1ccccc1Cn1c(=O)c2c(nc3n2CCN3c2cccc(C)c2C)n(C)c1=O 10104737 VPKWJESNMMOGGV-UHFFFAOYSA-N 415.497 3.022 0 40 HGAB CCN(CC)C(=O)Cn1c([C@H]2CC(=O)N(c3ccc(OC)cc3)C2)nc2ccccc21 12062091 ZTWNADWBHNGGQC-KRWDZBQOSA-N 420.513 3.434 0 40 HGAB CO[C@@H]1CCC[C@@H](C(=O)N2CCC(Cn3nc(-c4cccs4)ccc3=O)CC2)C1 12158123 KPWYNTDGWBMREA-QZTJIDSGSA-N 415.559 3.416 0 40 HGAB O=C(Nc1ncccc1O)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1 12526910 BRWUMGMHOGWFDK-UHFFFAOYSA-N 403.847 3.494 0 40 HGAB CCOc1ccc(OCCNC(=O)c2ccccc2I)cc1 12767085 MNZZDUSIOZDVTR-UHFFFAOYSA-N 411.239 3.499 0 40 HGAB Cc1ccc([C@H](NC(=O)CN2C(=O)NC3(CCCC3)C2=O)c2ccccc2)cc1C 12806929 NHJKDURHPOJSEG-OAQYLSRUSA-N 405.498 3.374 0 40 HGAB Cc1ccccc1[C@@H](C)NC(=O)[C@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1 12851924 OXWDALIEFGSKCQ-SJORKVTESA-N 411.527 3.033 0 40 HGAB COc1ccc(-c2csc(NC(=O)Cn3ncc4ccccc4c3=O)n2)cc1OC 12909760 STGUYCGREMZEAV-UHFFFAOYSA-N 422.466 3.176 0 40 HGAB CNC(=O)C1CCN(C(=O)c2cc(-c3ccco3)n(-c3cccc(Cl)c3)n2)CC1 12972828 KCYVLEZCXUCCNI-UHFFFAOYSA-N 412.877 3.384 0 40 HGAB COc1ccc2cc(C(=O)NC[C@@H]3CN(Cc4ccccc4)CCO3)c(C)nc2c1 12987495 GUDKVNFCAICALC-OAQYLSRUSA-N 405.498 3.183 0 40 HGAB C[C@@H](OC(=O)C[C@H](NC(N)=O)c1cccs1)C(=O)Nc1ccc(F)c(Cl)c1 14415309 IONVFELVVJBIGW-RNCFNFMXSA-N 413.858 3.211 0 40 HGAB O=C(COC(=O)c1cccnc1Sc1ccccc1)NC(=O)NCc1ccccc1 15127246 RPWAKEUSICYPLK-UHFFFAOYSA-N 421.478 3.416 0 40 HGAB CC(=O)Nc1nnc(SCc2cc(=O)c(OC(=O)c3ccccc3F)co2)s1 16047732 YDUHWWITROZQMW-UHFFFAOYSA-N 421.431 3.100 0 40 HGAB O=C(COc1ccc(S(=O)(=O)N2CCCCC2)cc1)NC1CCCCCCC1 16428837 ZCCGHYRPZSCRDG-UHFFFAOYSA-N 408.564 3.469 0 40 HGAB O=C(COc1ccc(I)cc1)N1CCN(c2ccccc2)CC1 17358141 ZTNQCAUHZAWZMG-UHFFFAOYSA-N 422.266 3.019 0 40 HGAB CC[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccc(OC)cc1 18131613 OCHPCXFKDLGVIG-NRFANRHFSA-N 416.543 3.363 0 40 HGAB Cc1cc(-c2cnc(N3CCC(NC(=O)c4ccccn4)CC3)nc2C2CC2)on1 19121737 WWOVMLZIVLHUOW-UHFFFAOYSA-N 404.474 3.111 0 40 HGAB CC1CCC(N2CCc3nc([C@H]4CCCN4C(=O)c4ccccn4)nc(O)c3C2)CC1 19496004 RUAJNDJQTKWXQR-MYKUNDNFSA-N 421.545 3.491 0 40 HGAB CN(C)c1cc(CNC(=O)[C@@H](c2ccccc2)N2CCCC2)nc(-c2cccnc2)n1 19584492 PORGKHHZKFWQLW-JOCHJYFZSA-N 416.529 3.058 0 40 HGAB COc1ccccc1CNC(=O)c1cc([C@@H]2CCN(Cc3ccccc3F)C2)n[nH]1 19707785 ZHZNUVBGTBDAEK-GOSISDBHSA-N 408.477 3.477 0 40 HGAB CC(C)Oc1ccc(CNC(=O)[C@@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)cc1 20483387 LDFYXOWYQHJPKZ-OAHLLOKOSA-N 408.495 3.084 0 40 HGAB CCCOc1ccc(N(CC(=O)N2CCCc3ccccc32)S(C)(=O)=O)cc1 22396214 KASPRWSVOGNQNK-UHFFFAOYSA-N 402.516 3.221 0 40 HGAB COc1ccc(C)c2sc(N(CCN3CCOCC3)C(=O)c3ccco3)nc12 22998683 YGHRTPKBRPZTOJ-UHFFFAOYSA-N 401.488 3.185 0 40 HGAB O=C(Cn1nc2c(c1NC(=O)c1cccs1)CSC2)NCCc1ccccc1 23139673 NANRLIZHMDMEHA-UHFFFAOYSA-N 412.540 3.303 0 40 HGAB COc1ccc(-c2nnc(CN3C(=O)N[C@](C)(c4ccccc4Cl)C3=O)o2)cc1 23907880 YPXUEPIGOCXNDB-HXUWFJFHSA-N 412.833 3.366 0 40 HGAB O=C(OCc1nc2ccccc2n1C(F)F)c1cccc(S(=O)(=O)NC2CC2)c1 25562196 CKLRJXKJTAKWKD-UHFFFAOYSA-N 421.425 3.229 0 40 HGAB COc1ccc([C@@H](CNC(=O)c2cc(F)c(F)c(F)c2F)N2CCOCC2)cc1 25764382 BMVPAPJWTAWPRB-MRXNPFEDSA-N 412.383 3.055 0 40 HGAB CS(=O)(=O)NCCc1ccc(C(=O)CSc2nccn2-c2ccccc2)s1 26128370 CFMVRROIKWCAID-UHFFFAOYSA-N 421.569 3.001 0 40 HGAB O=C(NCCOc1ccc(F)cc1)c1ccc(NS(=O)(=O)c2cccs2)cc1 29294478 SDINHBLIHOJCKW-UHFFFAOYSA-N 420.487 3.497 0 40 HGAB CCN(CC)[C@@H](CNC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1)c1ccsc1 29414868 KHAHNCXLUMJNHS-IBGZPJMESA-N 421.588 3.002 0 40 HGAB CCOc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCCCC3)C2=O)ccc1O 35104824 WYBYRCKESRCDFU-ATVHPVEESA-N 404.488 3.230 0 40 HGAB COc1cccc(NC(=O)C2CCC(CNC(=O)[C@@H]3Cc4ccccc4CN3)CC2)c1 35485505 WUSTVAJLTKMPTL-KXXGJQBSSA-N 421.541 3.271 0 40 HGAB COc1ccc(N2C[C@H](C(=O)Nc3ncc(-c4ccccc4)n3C)CC2=O)c(OC)c1 36752711 QJHYXLPRCUHDED-MRXNPFEDSA-N 420.469 3.096 0 40 HGAB COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)COc1ccccc1C(F)(F)F 45930757 QWUFHFLUUPWULJ-QGZVFWFLSA-N 420.387 3.466 0 40 HGAB COc1ccc(Br)cc1CN(C)S(=O)(=O)c1ccccc1OC 47031114 DSYZXKRESNUHMO-UHFFFAOYSA-N 400.294 3.287 0 40 HGAB COc1cc2c(cc1NC(=O)N1CCC[C@H](NS(C)(=O)=O)C1)oc1ccccc12 47702276 DRMDLBGWHXVQSK-ZDUSSCGKSA-N 417.487 3.140 0 40 HGAB O=C(Cn1c(=O)cc(-c2nc(C3CC3)no2)c2ccccc21)NCc1ccccc1F 49401321 IWJLIJQOGQLWTR-UHFFFAOYSA-N 418.428 3.384 0 40 HGAB CN(Cc1ccccc1)C(=O)Cn1nc(-c2ccc(Br)cc2)ccc1=O 49549310 PCUMIGRCXZSITB-UHFFFAOYSA-N 412.287 3.331 0 40 HGAB C[C@@H]1C[C@H]1C(=O)NCCC(=O)NCC1(c2ccc(Cl)cc2Cl)CCOCC1 55762395 WNXCMYZJRCGOGE-UKRRQHHQSA-N 413.345 3.320 0 40 HGAB COCCn1c(SCC(=O)Nc2ccc(Cl)cc2)nc2ccsc2c1=O 57425788 JMAPFNHTWQDMOP-UHFFFAOYSA-N 409.920 3.489 0 40 HGAB CCCCN(CC)C(=O)Cn1c(=O)n(-c2cc(C)ccc2C)c(=O)c2sccc21 57492522 ZKDQKEZGZPSVFY-UHFFFAOYSA-N 413.543 3.479 0 40 HGAB O=C(CCNC(=O)c1cc(-c2ccco2)nn1-c1ccccc1)Nc1ccncc1 58163013 MXLWSVTYWMMVFE-UHFFFAOYSA-N 401.426 3.286 0 40 HGAB COCCOc1ccc([C@H](C)NC(=O)NCc2ccc([C@H](C)O)cc2)cc1OC 58214020 ACLYSZOEXWBVGH-HOTGVXAUSA-N 402.491 3.334 0 40 HGAB O=C(NC1(c2ccc(Br)cc2)CC1)c1ccc(N2CCNC2=O)cc1 58414168 LHMBGAWMNKOMAQ-UHFFFAOYSA-N 400.276 3.398 0 40 HGAB COc1ccc(NC(=O)Cn2c(C(F)(F)F)nc3cc4c(cc32)OCCO4)cc1 64814431 CNWRWMWWPSRAEB-UHFFFAOYSA-N 407.348 3.474 0 40 HGAB O=C(Nc1cccc(Br)c1)C1CN(C(=O)COc2ccccc2F)C1 70637442 CNKSGLJTTLSHCW-UHFFFAOYSA-N 407.239 3.064 0 40 HGAB Cc1ccc(NC(=O)Cn2nnc(C(=O)Nc3ccc(F)c(F)c3)c2C)cc1F 71326980 KZCHDFAVIBZOSY-UHFFFAOYSA-N 403.364 3.203 0 40 HGAB O=C(CN1CCC[C@H]1CN1CCC[C@@H]1CO)Nc1ccc(Cl)cc1C(F)(F)F 72313483 XTVBQGINVZTBSJ-LSDHHAIUSA-N 419.875 3.218 0 40 HGAB Cc1cc(-c2cc(=O)n([C@@H](C)C(=O)NCc3ccco3)nc2-c2cccs2)on1 72337049 DKXKGTONVGEKLA-ZDUSSCGKSA-N 410.455 3.406 0 40 HGAB O=C1N[C@@]2(C[C@H]3CC[C@@H]2C[C@@H]3C(=O)N2CCC(=O)[C@H]3CCCC[C@@H]32)Oc2ccccc21 72339131 PTQZIMJJUTXQOV-OTXSIYKHSA-N 422.525 3.302 0 40 HGAB Cc1nc(C2CCN(C(=O)C(C)C)CC2)nc2c1CC(=O)N2CCc1ccccc1 72371945 KABITNNRBRPFCM-UHFFFAOYSA-N 406.530 3.279 0 40 HGAB CNC(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CN(C(=O)C(C)(C)C)CCO1 72389230 LZBZVHAIGZUQPH-QFIPXVFZSA-N 400.544 3.347 0 40 HGAB C[C@H]1C[C@@H](NC(=O)c2cccc(C(=O)N3CCCC3)n2)CCN1Cc1ccccc1 79025247 NORMPTKZHRTKHA-ICSRJNTNSA-N 406.530 3.101 0 40 HGAB Cc1nc2n(c(=O)c1C)CN(CCCO)CN2c1ccc(Oc2ccccc2)cc1 95481432 NQSMDXJVICJUKC-UHFFFAOYSA-N 406.486 3.404 0 40 HGAB CCOC(=O)c1c(C)[nH]c(C(=O)N[C@H](CO)c2cccc(Br)c2)c1C 95983351 XCENHFVXEANFLE-CQSZACIVSA-N 409.280 3.034 0 40 HGAB COc1cc2c(cc1OC)CN(C(=O)c1cc3cc(OC)c(OC)cc3n1C)CC2 96116012 LYKACRDEZPWVER-UHFFFAOYSA-N 410.470 3.411 0 40 HGAB biogenic COc1ccc(CNC(=O)[C@@H]2[C@@H](c3nc4ccccc4c(=O)[nH]3)[C@H]3C=C[C@H]2C3)cc1 100453948 VRPOFNYIMQADJP-LRGYGIHKSA-N 401.466 3.154 0 40 HGAB CCOC(=O)C(=CNc1ccc(I)cc1C)C(=O)OCC 100468943 IHLDESZXQJQUAQ-UHFFFAOYSA-N 403.216 3.022 0 40 HGAB C[C@H](NC(=O)c1ccc2c(=O)n(C)c(S)nc2c1)c1ccccc1Br 102170372 BIXPIEHRYNKZPY-JTQLQIEISA-N 418.316 3.476 0 40 HGAB C[C@@H](Nc1ccc(C(=O)O)cc1S(=O)(=O)NC[C@H]1CCCO1)c1ccccc1 217499468 ITSHCVYAQTWCPG-RHSMWYFYSA-N 404.488 3.015 0 40 HGAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 219602382 IKCWPZRJCBGTQJ-LJQANCHMSA-N 422.934 3.031 0 40 HGAB CS(=O)(=O)N(CCCC(=O)NCCSCc1ccccc1)c1ccccc1F 222652141 NBQZWGNQPHYDOV-UHFFFAOYSA-N 424.563 3.422 0 40 HGAB CCN(c1ccc2sc(C(=O)NCCCO)cc2c1)S(=O)(=O)c1ccccc1 223393787 QGPKIBHNESVXFV-UHFFFAOYSA-N 418.540 3.229 0 40 HGAB COc1ccc(CN(C(C)=O)[C@H](C(=O)NCc2ccncc2)c2ccccc2)cc1 223543084 FWOLVSGBNXSXDD-QHCPKHFHSA-N 403.482 3.496 0 40 HGAB C[C@H](CNC(=O)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1)c1ccccc1 224353683 XLLKWCXSDZMVOD-QGZVFWFLSA-N 418.534 3.287 0 40 HGAB Cc1ccc2c(c1)N(S(=O)(=O)c1ccccc1)C[C@@H](C(=O)N[C@@H](C)C(C)C)O2 225218826 YZKUYIILFZNUNX-JXFKEZNVSA-N 402.516 3.112 0 40 HGAB COc1ccc(S(=O)(=O)N(C)CC(=O)NCc2cccc3ccccc23)cc1C 226044865 JZIPFAWDAOHLKE-UHFFFAOYSA-N 412.511 3.094 0 40 HGAB O=S(=O)(c1cccc(Cl)c1)N1CCCC[C@H]1c1nnc(-c2cnccn2)o1 257222034 DRPXPNIYMFNBJM-HNNXBMFYSA-N 405.867 3.096 0 40 HGAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)CC)CC2)cc1Cl 408585297 YNRLTOOPCCJRPV-ZDUSSCGKSA-N 402.944 3.054 0 40 HGAB CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)Nc2c(Cl)cccc2Cl)cc1 408593319 MJIASTSKNHHBDS-JTQLQIEISA-N 403.287 3.308 0 40 HGAB Cc1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1OCC(=O)NC1CCCC1 408676335 NDSYIOVKVJVNKJ-UHFFFAOYSA-N 406.479 3.373 0 40 HGAB Cc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccccc3C)C2)cc1Cl 409137345 VYCBNOXJGSXEMQ-HNNXBMFYSA-N 400.862 3.492 0 40 HGAB Cc1ccc(NC(=O)CNS(=O)(=O)c2ccc(Br)cc2)cc1Cl 409140461 FIRQZLHRYNPZEZ-UHFFFAOYSA-N 417.712 3.328 0 40 HGAB COc1cccc2nc(C[C@H]3CN(C(=O)c4ccccc4)CC[C@H]3CC(=O)O)[nH]c12 514288351 ASEKJSPAOJTHRR-IRXDYDNUSA-N 407.470 3.367 0 40 HGAB biogenic,in-vitro O=C(CCn1ccnc1)Nc1cccc(-c2nc(-c3ccc4c(c3)OCCO4)no2)c1 570858139 VFMXMLDBJLUCTD-UHFFFAOYSA-N 417.425 3.400 0 40 HGAB Cc1sc2ncn(CCC(=O)N3C[C@@H](c4ccccc4)OC[C@@H]3C)c(=O)c2c1C 589544973 DBQORWUKZZWTQO-KSSFIOAISA-N 411.527 3.454 0 40 HGAB C[C@@H]1CCc2nc(C(=O)N[C@@H]3CCc4nc(-c5ccc(F)cc5F)cn4C3)cn2C1 1615613460 VWMIRMQEBUATKD-UKRRQHHQSA-N 411.456 3.352 0 40 HGAB C[C@H]1CN(C(=O)c2ccc(NS(=O)(=O)c3cccc(Cl)c3)cc2)C[C@H](C)O1 631164 ICAYNXBZQNYZLF-KBPBESRZSA-N 408.907 3.390 0 40 HGAB COc1ccc(NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)cc1 827693 RHQHNSKNRPEKFY-UHFFFAOYSA-N 403.287 3.407 0 40 HGAB Cc1sc(NC(=O)CN(CCc2ccccc2)C(=O)C2CCC2)c(C(N)=O)c1C 1368426 RQWSZSJBFRPFMX-UHFFFAOYSA-N 413.543 3.274 0 40 HGAB Cc1cc(I)ccc1N1C(=O)c2ccc(C(=O)O)cc2C1=O 1508406 JQFOHRHSVYGSBH-UHFFFAOYSA-N 407.163 3.098 0 40 HGAB O=C(CCCOc1ccccc1)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 1768721 PJKGTIODKVJHNN-UHFFFAOYSA-N 412.471 3.075 0 40 HGAB O=C(COC(=O)c1ccc(S(=O)(=O)C(F)F)cc1)N[C@@H]1CCCc2ccccc21 3381071 MDSFCFLKPIFVGO-QGZVFWFLSA-N 423.437 3.034 0 40 HGAB CCOc1ccc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)c(OCC)c1 3659441 FEPHKIZATOGSKO-XDHOZWIPSA-N 423.469 3.324 0 40 HGAB O=C(Nc1c2c(nn1-c1ccccc1)CS(=O)(=O)C2)C12CC3CC(CC(C3)C1)C2 4088621 GJKMLSAPWWSALQ-UHFFFAOYSA-N 411.527 3.456 0 40 HGAB COc1ccc(CCNC(=O)CN2C(=O)C[C@H](C)Sc3ccccc32)cc1OC 4162757 OEFDZEMADFTVIV-HNNXBMFYSA-N 414.527 3.280 0 40 HGAB C[C@H](Sc1nc(-c2ccccc2)cn1N)C(=O)Nc1ccc(N2CCOCC2)cc1 4246918 HJNFVJYMYIYKCF-INIZCTEOSA-N 423.542 3.220 0 40 HGAB O=C(CN1CCC(n2nnc3cc(C(F)(F)F)ccc32)CC1)NCc1cccs1 4399948 LRRXSJOFELCMRT-UHFFFAOYSA-N 423.464 3.465 0 40 HGAB CCOCCCNC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1 4682178 NBJQAQBTNXCWMT-UHFFFAOYSA-N 424.950 3.387 0 40 HGAB COCCN(CCOC)C(=O)Cc1csc2nc(-c3ccc(Cl)cc3)cn12 5146449 MMVYHFZPJAUKLD-UHFFFAOYSA-N 407.923 3.380 0 40 HGAB C[C@@H]1CCc2c(sc(NC(=O)CSc3nnc4n3CCCCC4)c2C(N)=O)C1 6097430 MIHDVESDDIEHOJ-LLVKDONJSA-N 419.576 3.021 0 40 HGAB COc1ccc(NC(=O)COc2cccc(C)c2)cc1S(=O)(=O)N1CCCCC1 6449115 IYARKRNXAWLJPI-UHFFFAOYSA-N 418.515 3.196 0 40 HGAB O=C(CSc1nnc(Cc2ccccc2)o1)Nc1ccccc1C(=O)NC1CC1 6544226 UBGDXGOJCTVZAX-UHFFFAOYSA-N 408.483 3.283 0 40 HGAB COc1ccc(S(=O)(=O)N(CC(=O)N2CCCC2)C2CCCCC2)cc1Cl 6646970 VBWBNNHQLHTEPO-UHFFFAOYSA-N 414.955 3.294 0 40 HGAB COc1ccc([C@H]2Nn3c(nnc3-c3ccccc3)S[C@@H]2C(=O)N2CCCC2)cc1 6721060 KAWKQZWZZDWTHL-MOPGFXCFSA-N 421.526 3.335 0 40 HGAB Nn1c(SCC(=O)NC23CC4CC(CC(C4)C2)C3)nnc1-c1ccccc1Cl 7016434 LGULOBMHUHEHLD-UHFFFAOYSA-N 417.966 3.489 0 40 HGAB COc1cc(CNCc2ccccn2)ccc1OCc1nnnn1-c1ccc(C)cc1 7365371 FFZSXKLOWFUIMU-UHFFFAOYSA-N 416.485 3.243 0 40 HGAB O=C([C@H]1CC(=O)N(c2ccc(Cl)cc2)C1)N1CCN(c2ccc(F)cc2)CC1 7452431 WLTVXFNSGXYRHF-HNNXBMFYSA-N 401.869 3.181 0 40 HGAB COc1cc(CNC(=O)CNC(=O)c2ccccc2)ccc1OCc1ccccc1 7648898 KVHODWDNMIVABP-UHFFFAOYSA-N 404.466 3.320 0 40 HGAB COc1ccc(NC(=O)COc2ccc(C(=S)N3C[C@@H](C)O[C@H](C)C3)cc2)cc1 8222669 BENWODMAFIGJOW-HZPDHXFCSA-N 414.527 3.497 0 40 HGAB CN(C)[C@H](CNC(=O)[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1)c1ccccc1 8343740 QCTZGXAMRXUDJU-VQIMIIECSA-N 419.447 3.477 0 40 HGAB CCCC[C@H](C(=O)OCC(=O)Nc1ccc(F)cc1)N1C(=O)c2ccccc2C1=O 8411246 IGRQLYVGKMIPMR-GOSISDBHSA-N 412.417 3.162 0 40 HGAB CC[C@H](C)n1c(C)c(C)n2c3c(=O)n(C/C=C/c4ccccc4)c(=O)n(C)c3nc12 10104284 OWDFKIGWASLOKD-VOMSXAGXSA-N 405.502 3.451 0 40 HGAB CCOc1ccccc1CCCNC(=O)CN(c1c(C)cccc1C)S(C)(=O)=O 10110941 WAXWLISWGYMJPR-UHFFFAOYSA-N 418.559 3.217 0 40 HGAB COc1cccc(-c2nnc(O)c3c2[C@H](c2ccccc2Cl)n2nnnc2N3)c1 10296823 HRCKYZGROSQNSR-KRWDZBQOSA-N 407.821 3.192 0 40 HGAB COc1ccc(CNC(=O)[C@@H](C)N(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1 10335429 GJQCWWCVWVOUIN-CQSZACIVSA-N 410.923 3.128 0 40 HGAB CCc1nn2c(=O)cc(CSc3nnc(N)s3)[nH]c2c1-c1ccc(F)cc1 10338941 UMTFLTXSRAHHKM-UHFFFAOYSA-N 402.480 3.117 0 40 HGAB CNS(=O)(=O)c1ccc(C)c(C(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)c1 11076017 DKPMEMKSGWIDEW-UHFFFAOYSA-N 409.511 3.314 0 40 HGAB O=C1N[C@]2(CCOc3ccccc32)C(=O)N1Cc1cc(=O)oc2cc3c(cc12)CCC3 11591336 FZJNFZZTRWADOK-DEOSSOPVSA-N 416.433 3.012 0 40 HGAB O=C(Cc1c(F)cccc1Cl)N1CCC[C@@H](c2noc(-c3cnccn3)n2)C1 12187629 LIQWJPNVWKVMNG-GFCCVEGCSA-N 401.829 3.268 0 40 HGAB COc1ccccc1C(=O)N1CCC(c2cc(C(F)(F)F)n3ncnc3n2)CC1 12330142 ITLOJBLIFDAXNY-UHFFFAOYSA-N 405.380 3.172 0 40 HGAB Cc1ccccc1C(=O)N[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(F)(F)F 12463028 MUJKYIZCVHUAIO-HNNXBMFYSA-N 406.813 3.245 0 40 HGAB CN(Cc1cnn(-c2ccccc2)c1)CN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O 12745693 FCCBYVYMJPOJJL-DEOSSOPVSA-N 417.513 3.205 0 40 HGAB CSc1nnc(SCC(=O)N2CCN(C/C=C/c3ccccc3)CC2)s1 12780070 PCMUPSZJPGUKBH-VMPITWQZSA-N 406.602 3.210 0 40 HGAB CN(CC(=O)Nc1cccc(F)c1)C(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O 12806003 LXTCXXOCLZHSSI-INIZCTEOSA-N 421.881 3.379 0 40 HGAB Cn1c(S[C@@H]2CCCCN(C(=O)c3ccc(F)cc3)C2=O)nnc1C(F)(F)F 12925144 PTNCEDCFKGVCNH-GFCCVEGCSA-N 416.400 3.287 0 40 HGAB O=C(Cn1nc(-c2ccc(F)cc2)oc1=O)N(Cc1ccccc1)CC(F)(F)F 12933562 ARVHDQMKBIEUDT-UHFFFAOYSA-N 409.339 3.234 0 40 HGAB O=C(OCc1nnc(-c2ccccc2)o1)[C@H]1CS[C@]2(c3ccccc3)CCC(=O)N12 13112303 RVOZUKAVRAVIGN-VGSWGCGISA-N 421.478 3.371 0 40 HGAB O=C(NCCc1c[nH]c2ccccc12)C1CCN(c2nc(Cl)nc3[nH]cnc23)CC1 13551826 FIXMMILABJWZBB-UHFFFAOYSA-N 423.908 3.063 0 40 HGAB O=C(Nc1ccc2[nH]ccc2c1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 13624754 YLOQQCNNZOFUFF-OAHLLOKOSA-N 401.463 3.346 0 40 HGAB CCOC(=O)c1ccccc1NC(=O)[C@@H](CC)N(c1ccc(C)cc1)S(C)(=O)=O 13713136 FGLJRHXTWQLOBZ-LJQANCHMSA-N 418.515 3.355 0 40 HGAB C[C@H](Oc1ccccc1F)C(=O)NCCCn1nc(-c2ccc(F)cc2)ccc1=O 13802146 ZIVKEHNUTVPXDC-HNNXBMFYSA-N 413.424 3.162 0 40 HGAB CCOC(=O)c1ccc(NC(=O)CSc2nc3c4ccccc4ncn3n2)cc1 14134900 FZWWGOCGDQVHGN-UHFFFAOYSA-N 407.455 3.185 0 40 HGAB CS(=O)(=O)N(CC(=O)NCc1ccc(Cl)cc1)c1ccc(F)c(Cl)c1 14155785 FJSAYKLXIOBUBZ-UHFFFAOYSA-N 405.278 3.215 0 40 HGAB CCCC1(CCC)NC(=O)N(CC(=O)Nc2nc3c(F)cc(F)cc3s2)C1=O 14201974 VORBMNOJZORDLG-UHFFFAOYSA-N 410.446 3.404 0 40 HGAB COc1ccc(S(=O)(=O)Nc2cnn(Cc3ccc(Cl)cc3)c2)cc1OC 14222167 DVGDKWMUKQLUPU-UHFFFAOYSA-N 407.879 3.403 0 40 HGAB Cc1cc(NC(=O)C2CC2)sc1C(=O)NCC(=O)Nc1ccc(F)c(F)c1F 14241568 LLVFTXWKIYJUQO-UHFFFAOYSA-N 411.405 3.191 0 40 HGAB CCC1=Nc2ccccc2N=C(NC(=O)CN2CCOCC2)[C@@H]1c1ccc(OC)cc1 14608105 CAYYRQORJLCVOB-HSZRJFAPSA-N 420.513 3.454 0 40 HGAB C[C@H]1CCN(C(=O)C2=CC(c3ccc(F)cc3)=NS(=O)(=O)N2C)[C@@H]2CCCC[C@@H]12 15673432 KVPSFZYRUKXTRM-UCLAIMLFSA-N 419.522 3.116 0 40 HGAB COc1ccc(CCNC(=S)NNC(=S)Nc2c(C)cccc2C)cc1OC 16318658 HRUQUTFTRYCDDF-UHFFFAOYSA-N 418.588 3.229 0 40 HGAB CC(C)C(=O)NC(=S)Nc1c(Br)cc(Br)cc1C(=O)O 16574947 LLEQGFAJUSFEAS-UHFFFAOYSA-N 424.114 3.379 0 40 HGAB CCOC(=O)c1c(NC(=O)CCC(=O)O)sc2c1CCN(Cc1ccccc1)C2 16902352 OIWCDPJOGYXNLP-UHFFFAOYSA-N 416.499 3.286 0 40 HGAB COc1ccc(-c2nc(N3CCOCC3)nc3c2C(=O)c2ccccc2-3)c(OC)c1 17082643 DKFXFWOSCIRVDZ-UHFFFAOYSA-N 403.438 3.209 0 40 HGAB CCOc1ccc(C(=O)n2nc(C)c(S(=O)(=O)N3CCC(C)CC3)c2C)cc1 17307505 NRHYSTNOKBYINX-UHFFFAOYSA-N 405.520 3.008 0 40 HGAB O=C1CCC[C@]2(CN(Cc3cnc(N4CCCCC4)nc3)C[C@H]2c2ccccc2)N1 19373762 ZCJVXQKWIPAFFC-XUZZJYLKSA-N 405.546 3.105 0 40 HGAB CCN1CCN(C(=O)c2ccncc2)C[C@H](Cc2cccc(-c3ccncc3)c2)C1=O 19527595 NQRPYIBSAALOLU-QHCPKHFHSA-N 414.509 3.307 0 40 HGAB CCOc1ccc(CC(=O)N2CCC[C@@H]2c2nc(O)c3c(n2)CCN(C(C)C)C3)cc1 19532937 RVDLXTIURWTWEA-OAQYLSRUSA-N 424.545 3.254 0 40 HGAB O=C(OCCN1CCN(C(=O)c2cccnc2Cl)CC1)c1ccc(Cl)cc1 20031151 JCABRNWLPUGOBA-UHFFFAOYSA-N 408.285 3.003 0 40 HGAB CS(=O)(=O)N(CC(=O)NCCCc1ccc(Cl)cc1)c1ccc(F)c(F)c1 22373045 DIGDFRHPFRUFDI-UHFFFAOYSA-N 416.877 3.133 0 40 HGAB Cc1ccc(C)c([C@H](O)CN2CCN([C@H](c3ccccc3)c3nccn3C)CC2)c1 22887317 DRCDWKYEJLYIHM-DNQXCXABSA-N 404.558 3.478 0 40 HGAB C[C@H](CCc1ccccc1)NC(=O)[C@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1 30943933 XWIIDETXGNWGJV-AUUYWEPGSA-N 422.934 3.005 0 40 HGAB COc1ccc(CSC2=N[C@@H]3CS(=O)(=O)C[C@@H]3N2c2ccccc2F)cc1 32639750 KHDIKJODFGVUNK-AEFFLSMTSA-N 406.504 3.109 0 40 HGAB Nc1nc(N)nc(COC(=O)CCc2c(-c3ccc(F)cc3)[nH]c3ccc(F)cc23)n1 32777441 WXPHKWYHKIMIJZ-UHFFFAOYSA-N 424.411 3.139 0 40 HGAB CCOc1ccc(/C=c2/sc3nc(-c4ccccc4OC)nn3c2=O)cc1OCC 34798850 HXCCZKZMBLHOFA-CPNJWEJPSA-N 423.494 3.172 0 40 HGAB Cc1cc2nc(CSc3nnc(NC(=O)Nc4ccccc4)s3)cc(=O)n2o1 35429576 UDOIGNDHGGODNJ-UHFFFAOYSA-N 414.472 3.384 0 40 HGAB COc1ccc(CCN2CN(c3ccccc3)c3nc(C)c(C)c(=O)n3C2)cc1OC 36125631 DVTKJGKLGBYAAF-UHFFFAOYSA-N 420.513 3.489 0 40 HGAB O=C(O)CCn1cc([C@@H](C(=O)O)N2CCCCC2)c2ccc(Br)cc21 36365394 MORVDEFWDBCYGK-KRWDZBQOSA-N 409.280 3.490 0 40 HGAB CCOC(=O)c1ccc(NC(=O)c2ccc(NS(C)(=O)=O)c(C)c2)cc1Cl 44845894 FAIKIPCDCGUALO-UHFFFAOYSA-N 410.879 3.449 0 40 HGAB CC[C@H](C)C(=O)Nc1cccc(CNC(=O)Nc2cc(-n3cnnn3)ccc2C)c1 47926520 SNQNSUHAEWSJQO-AWEZNQCLSA-N 407.478 3.277 0 40 HGAB Cc1cc(C)cc(Nc2nc(C)cc3nn(CC(=O)Nc4ccccc4)c(=O)n23)c1 49410702 DPHYZUCFLXXDNT-UHFFFAOYSA-N 402.458 3.199 0 40 HGAB O=C(NC1CC1)c1ccc(N2CC[C@H](NCc3ccc(C(F)(F)F)cc3)C2)nc1 49420994 RLKXCVGNQKBMRI-SFHVURJKSA-N 404.436 3.361 0 40 HGAB CC(C)Cn1c(=O)c2sccc2n(CC(=O)N[C@H](C)CCc2ccccc2)c1=O 57486077 SDNNXEGVUGXAOV-MRXNPFEDSA-N 413.543 3.018 0 40 HGAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)CN[C@H](C)c2cccc(F)c2)c1 58146415 SVDXLZSBFPGRFN-OAHLLOKOSA-N 407.511 3.146 0 40 HGAB CCN1CCN(c2cc(CNC(=O)c3cc4cc(OC)ccc4nc3C)ccn2)CC1 69516283 AFJWLFVZUBCHHM-UHFFFAOYSA-N 419.529 3.019 0 40 HGAB Nc1cc(-n2cnnc2)ccc1N1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1 70461890 KXQAZKTWCVVETB-UHFFFAOYSA-N 417.300 3.119 0 40 HGAB CC1(C)C(=O)N(CN2CCC[C@H](C(=O)Nc3ccc(Br)cn3)C2)C1(C)C 72301670 PBLKIXCIXGLZQT-ZDUSSCGKSA-N 423.355 3.099 0 40 HGAB CO[C@@H]1CCC[C@H](C(=O)N2CCC([C@@H]3C[C@H](C(F)(F)F)n4ncnc4N3)CC2)C1 72395580 YORHETNOHKQTSO-XUWVNRHRSA-N 415.460 3.010 0 40 HGAB CCOc1c(Cl)cc(/C=C/C(=O)N2CCN([C@H]3CCSC3)CC2)cc1OC 79045139 CPBUJIOBLMVIQC-APHBUQMISA-N 410.967 3.410 0 40 HGAB COc1cc(CNc2nc3ccc(S(C)(=O)=O)cc3s2)cc(OC)c1OC 95445157 GSPQPGFXAFMZRA-UHFFFAOYSA-N 408.501 3.338 0 40 HGAB CC(C)C[C@H](Nc1ncnc2c1c(Br)nn2C)C(=O)Nc1nccs1 95455668 RZEBRDGWGFXWGD-VIFPVBQESA-N 424.328 3.048 0 40 HGAB Cc1ccc2c(O)c(C(=O)N3CCC[C@H](n4nccc4C(F)(F)F)C3)cnc2n1 95466769 BFODEYMFFBGBGT-LBPRGKRZSA-N 405.380 3.336 0 40 HGAB O=C(C[C@@H](Cn1cnnn1)c1ccc(Cl)cc1)NCCSc1ccccc1 96117606 GRKSZAOGFJYAMM-INIZCTEOSA-N 401.923 3.409 0 40 HGAB O=C1Nc2ccccc2[C@H]1CCC(=O)N1CCN(c2nc3ccccc3s2)CC1 100783490 YAYWLHYIKAEPPG-MRXNPFEDSA-N 406.511 3.461 0 40 HGAB Cc1cccc(C)c1NC(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O 113943553 RVNSMGVLGWQCEN-UHFFFAOYSA-N 404.488 3.217 0 40 HGAB O=C(Nc1cnn(C[C@H]2COc3ccccc3O2)c1)c1cc(-c2cccs2)[nH]n1 206839064 UTCTXUUNJHHYTK-AWEZNQCLSA-N 407.455 3.427 0 40 HGAB COc1ccc(C)cc1N([C@@H](C)C(=O)NCCCc1cccc(C)c1)S(C)(=O)=O 220343981 ADMGAVRTANYRIO-SFHVURJKSA-N 418.559 3.216 0 40 HGAB COc1ccc(N([C@@H](C)C(=O)NCc2ccc3ccccc3c2)S(C)(=O)=O)cc1 222761816 IVHRVLLNZJBJTR-INIZCTEOSA-N 412.511 3.319 0 40 HGAB CCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)COc1ccccc1 222984854 NQLSKCZIQKHDRC-OAHLLOKOSA-N 419.319 3.381 0 40 HGAB S=C1N[C@H](c2ccccn2)[C@H](c2cccn2-c2ccncc2)N1C[C@@H]1CCCO1 223299464 VAWSLDHIIGMQII-WMQCIHAUSA-N 405.527 3.419 0 40 HGAB COc1ccccc1NS(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2)s1 223700007 UONJOJWMFSURHG-UHFFFAOYSA-N 424.891 3.253 0 40 HGAB O=C(NCc1ccc2c(c1)OCO2)c1cccc(S(=O)(=O)Nc2ccccc2)c1 223921185 MQOXUSKYLYBMEE-UHFFFAOYSA-N 410.451 3.146 0 40 HGAB CC(C)OCCCNC(=O)c1ccc(CN(C)S(=O)(=O)c2ccccc2)cc1 224411049 CJTTVJAWZNNJJZ-UHFFFAOYSA-N 404.532 3.052 0 40 HGAB Cc1ccc(OCCNC(=O)CCCN(c2ccccc2F)S(C)(=O)=O)c(C)c1 224753525 NIKBYQWAYNGVQW-UHFFFAOYSA-N 422.522 3.184 0 40 HGAB O=C(N[C@H](c1ccccn1)[C@@H]1CCCN(C(=O)C2[C@@H]3CCCC[C@@H]23)C1)[C@@H]1CCCO1 247509936 SQEXUZFWXRQSRK-WOWXTULXSA-N 411.546 3.093 0 40 HGAB O=C1CCCC[C@]2(CN(Cc3ccnc(N4CCCC4)n3)C[C@H]2c2ccccc2)N1 257221439 DPABUYQQPVPHCJ-XUZZJYLKSA-N 405.546 3.105 0 40 HGAB O=C(c1ccccc1CN1CCCC1)N1CCOC[C@H](Cc2ccc3nccn3c2)C1 257275025 NNQWZXUQZULSPF-OAQYLSRUSA-N 418.541 3.261 0 40 HGAB Cc1n[nH]c(C)c1CNC(=O)[C@]1(C)CCCN(C(=O)Cn2c(C)cc3ccccc32)C1 257334258 YFEJTAQYNOKMIB-XMMPIXPASA-N 421.545 3.235 0 40 HGAB CS(=O)(=O)N(CC(=O)NCCSCc1ccco1)c1cccc2ccccc12 408921650 BTNUXMQTVWYZLT-UHFFFAOYSA-N 418.540 3.248 0 40 HGAB O=S(=O)(NCC1CCN(CC(F)(F)F)CC1)c1ccccc1Br 444213549 NISYLZPPGOWPLL-UHFFFAOYSA-N 415.275 3.002 0 40 HGAB Cc1c(NC(=O)NCC(=O)Nc2ccc(Cl)cc2)nnn1Cc1ccccc1F 549015950 HEESNAMVCKNSHK-UHFFFAOYSA-N 416.844 3.188 0 40 HGAB Cc1cc(C)n(-c2cc(N3CC(C(=O)Nc4ccc(F)c(Cl)c4)C3)ncn2)n1 575608187 DTMJKYDKWYCUOG-UHFFFAOYSA-N 400.845 3.147 0 40 HGAB Cc1cnc(Nc2cccc([C@H]3CN(CC(=O)N4CCCCCC4)CCO3)n2)s1 2037834665 AVIBCRCELYARGE-GOSISDBHSA-N 415.563 3.366 0 40 HGAB CC(=O)Nc1cccc(NC(=O)[C@@H]2CCCN2C(=O)Nc2cccc(C(C)=O)c2)c1 1343689 ZPAUACCYUJIDED-FQEVSTJZSA-N 408.458 3.483 0 40 HGAB COc1ccc(Cl)cc1C(=O)CSc1nnnn1-c1ccc(NC(C)=O)cc1 1361385 UCZKYSMZIFATKH-UHFFFAOYSA-N 417.878 3.258 0 40 HGAB COc1cccc(-n2c(SCC(=O)NC3CCCC3)nnc2-c2ccccn2)c1 1362731 TVOAQXUPUQLZDB-UHFFFAOYSA-N 409.515 3.489 0 40 HGAB CCOc1ccc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)C(C)C)cc2)cc1 2137080 HHAZDKNKTAWJPA-UHFFFAOYSA-N 421.544 3.355 0 40 HGAB COc1ccc(-n2ncc3c(N4CCN(c5cccc(OC)c5)CC4)ncnc32)cc1 2373287 UZJSXZMZDHBQQN-UHFFFAOYSA-N 416.485 3.159 0 40 HGAB Cc1cc(C)c(NC(=O)CN2C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C2=O)c(C)c1 2627998 IVALMBPVERBYDZ-IBGZPJMESA-N 404.470 3.195 0 40 HGAB COc1cccc(CNC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)c1 2629082 MPPOYRRSJGVNAB-UHFFFAOYSA-N 422.506 3.377 0 40 HGAB O=C(NCCC1=CCCCC1)C(=O)c1cn(CC(=O)N2CCCC2)c2ccccc12 3007617 BZUYMOPQFQIIFU-UHFFFAOYSA-N 407.514 3.453 0 40 HGAB CC(C)(C)NS(=O)(=O)c1cc(C(=O)Nc2ccc3c(c2)OCO3)ccc1Cl 3360515 GAPCJHKBYANSQV-UHFFFAOYSA-N 410.879 3.398 0 40 HGAB O=C(COC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1)Nc1ccccc1 3425844 LOTJOTRXOYUCCQ-UHFFFAOYSA-N 416.499 3.047 0 40 HGAB CCCCNC(=S)N(CCN(CC)CC)Cc1cc2cc(OC)ccc2[nH]c1=O 4133827 GKGAWMKAFAUFNX-UHFFFAOYSA-N 418.607 3.355 0 40 HGAB COc1ccc([C@@H]2C(C(=O)Nc3ccc(OC)cc3OC)=C(C)Nc3ncnn32)cc1 4383865 VARBWYHIOCADHU-HXUWFJFHSA-N 421.457 3.232 0 40 HGAB Cc1ccc(C(=O)N(Cc2cc3cc(C)ccc3[nH]c2=O)C[C@H]2COCCO2)cc1 4860951 OTQUFMMXEZEJBP-NRFANRHFSA-N 406.482 3.203 0 40 HGAB CCCn1c(SCC(=O)Nc2cc(OC)cc(OC)c2)nnc1-c1ccncc1 4860980 QPSJMMKDLNUELM-UHFFFAOYSA-N 413.503 3.498 0 40 HGAB COc1cc(OC)c([C@@H]2CC(=O)N(c3cccc(F)c3)C3=C2C(=O)OC3)cc1OC 4944724 WJCFBBBBVRUNBX-HNNXBMFYSA-N 413.401 3.183 0 40 HGAB CC(=O)Nc1ccc(NC(=O)[C@@H](C)Sc2nnnn2-c2ccc(Cl)cc2)cc1 5014392 JSPWMJAYSNRELZ-LLVKDONJSA-N 416.894 3.393 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=S)NC1CCCCC1 5689565 AETZLPXUKRXVAF-UHFFFAOYSA-N 411.593 3.489 0 40 HGAB CCOC(=O)c1c(NC(=O)COc2cccc(C)c2)sc(C(=O)N(C)C)c1C 5865447 FAPHMUNCZQMDDL-UHFFFAOYSA-N 404.488 3.261 0 40 HGAB COc1ccc(NC(=O)CCc2ccc(S(=O)(=O)NC(C)(C)C)cc2)cc1OC 6322052 NMGMUXACQLZCPI-UHFFFAOYSA-N 420.531 3.352 0 40 HGAB COc1ccc(-c2cc(C(=O)N3CCN(c4ccc(F)cc4)CC3)on2)cc1OC 6783118 VFTCTQFUYCWNNM-UHFFFAOYSA-N 411.433 3.460 0 40 HGAB CCCN1C(SCC(=O)Nc2cccc(F)c2)=NS(=O)(=O)c2ccccc21 7572331 CCZSIDHCTGPVGZ-UHFFFAOYSA-N 407.492 3.472 0 40 HGAB CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)C[C@@H]1c2ccccc2C=CN1C(C)=O 7775488 XXFPEULMFCVIDE-OAQYLSRUSA-N 416.481 3.236 0 40 HGAB O=C(Cc1n[nH]c(=O)c2ccccc12)N1CCC[C@H](c2nc3ccccc3s2)C1 7942648 OQEJKGLRQHFHIR-AWEZNQCLSA-N 404.495 3.482 0 40 HGAB CCCc1ccc(NC(=O)/C=C/c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 8159278 MDHGZXKLHBKRHB-MDWZMJQESA-N 414.527 3.312 0 40 HGAB COc1ccc(NC(=O)COC(=O)CCCC(=O)Nc2ccccc2C)c(OC)c1 8412587 ABZADJDFTYCWAY-UHFFFAOYSA-N 414.458 3.303 0 40 HGAB CNC(=S)N(CCc1ccccc1)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O 8829056 ZFNDIXAUJMUFAF-UHFFFAOYSA-N 411.527 3.094 0 40 HGAB Cc1cc(C(=O)CN2C(=O)N[C@H](Cc3c[nH]c4ccccc34)C2=O)c(C)n1C1CC1 8944829 ZKAQNBVOLILZKF-HXUWFJFHSA-N 404.470 3.267 0 40 HGAB Cc1ccc(S(=O)(=O)N(C)C)cc1NS(=O)(=O)c1cc(Cl)ccc1Cl 9662175 JPYXDFDXZLDDKM-UHFFFAOYSA-N 423.343 3.353 0 40 HGAB COc1ccc(F)cc1COC(=O)[C@H](CC(C)C)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 11679055 MVXLQTOTPAETMK-KSZLIROESA-N 403.450 3.243 0 40 HGAB Cc1oc2cc(OCC(=O)N[C@H](C)C(=O)O)ccc2c(=O)c1-c1ccc(Cl)cc1 11866041 GFFITGAWFLFGDB-LLVKDONJSA-N 415.829 3.390 0 40 HGAB Cc1ccc(-c2nonc2NC(=O)c2nn(-c3cccc(Cl)c3)ccc2=O)cc1 11914788 XKTLITKVGVKIEL-UHFFFAOYSA-N 407.817 3.497 0 40 HGAB Cc1ccc2c(c1)C(=O)N([C@@H](C)C(=O)NC1CCCCC1)CC1(CCN(C)CC1)O2 12142639 IPKQBDHNEZFCNP-SFHVURJKSA-N 413.562 3.131 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCc4sccc4C3)CC2)cc1 12212373 ZBXFMEFQZPMKDT-UHFFFAOYSA-N 404.557 3.042 0 40 HGAB COc1ccc(NC(=O)c2cc(C3CC3)n([C@H]3CCS(=O)(=O)C3)n2)cc1Cl 12229656 CDDVVHKVKHKMRO-ZDUSSCGKSA-N 409.895 3.034 0 40 HGAB O=c1[nH]c(=O)n(-c2ccc(Cl)cc2)c2c1CN(Cc1ccc(Cl)cc1)CN2 12429207 NEAADEBTBYHIAT-UHFFFAOYSA-N 403.269 3.218 0 40 HGAB CCCOc1cc([C@H]2NC(N)=Nc3nc4cc5c(cc4n32)OCCCO5)ccc1OC 12506563 QYDVWMYWXCNIBC-FQEVSTJZSA-N 423.473 3.091 0 40 HGAB Cc1cccc(CN2CCN(C(=O)CSc3nncn3-c3ccccc3)CC2)c1 12557876 GZAHZGGCEZBASD-UHFFFAOYSA-N 407.543 3.012 0 40 HGAB CC(C)OCCCNC(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1 12604579 WVMHEOFXCKYBMK-UHFFFAOYSA-N 412.458 3.311 0 40 HGAB O=C1O[C@@H](C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)Cc2ccccc21 12633666 XDJVCBBKBDZKPJ-GOSISDBHSA-N 420.387 3.262 0 40 HGAB COc1ccc(OCC(=O)Nc2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)cc1 12821912 RIUBDAVFJOTKCH-UHFFFAOYSA-N 418.515 3.196 0 40 HGAB CCN(Cc1ccc(Br)s1)C(=O)Cn1nnc(-c2ccc(F)cc2)n1 12870403 ZJAUBFNMDHJUTM-UHFFFAOYSA-N 424.299 3.352 0 40 HGAB COc1cccc(CNC(=O)COC(=O)CCC(=O)c2ccc3c(c2)CCCC3)c1 12891121 FIJDPFBOOKJJGP-UHFFFAOYSA-N 409.482 3.397 0 40 HGAB CC1(C)NC(=O)N(CCC(=O)N2CCCC[C@@H]2c2nc3ccccc3s2)C1=O 12916750 ZMRJKWIMEBVFQZ-CQSZACIVSA-N 400.504 3.070 0 40 HGAB O=C(CN1CCN(C(=O)Cc2c(F)cccc2Cl)CC1)Nc1ccccc1Cl 12977848 JIWKVHKIYDQOHX-UHFFFAOYSA-N 424.303 3.458 0 40 HGAB COc1cc(Br)c(OC)c(C(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)c1 13008232 KFFNSYKIMHQPRN-SECBINFHSA-N 421.247 3.438 0 40 HGAB C[C@@H]1CCC[C@@H](C)N1C(=O)CN1C(=O)N[C@@](C)(c2cccc(Br)c2)C1=O 13098704 HVJOUSQIARRJHK-VPZZIHKRSA-N 422.323 3.006 0 40 HGAB COCC(=O)Nc1nc2n(n1)[C@@H](c1ccc(OC)cc1)C[C@@H](c1ccc(OC)cc1)N2 13127422 CHKWJTCAEYFHKQ-RBUKOAKNSA-N 423.473 3.027 0 40 HGAB O=C(Nc1nc2ccccc2s1)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 14015796 ZBMVZYAGHYCQQA-CQSZACIVSA-N 401.513 3.336 0 40 HGAB C[C@@H](OC(=O)C[C@@H](NC(N)=O)c1cccs1)C(=O)Nc1ccc(F)c(Cl)c1 14415301 IONVFELVVJBIGW-NOZJJQNGSA-N 413.858 3.211 0 40 HGAB CCC(=O)N1CCCc2ccc(NS(=O)(=O)c3cc(OC)ccc3OC)cc21 17247929 MYXFOLHMKIWSQN-UHFFFAOYSA-N 404.488 3.194 0 40 HGAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3C[C@H](C)O[C@H](C)C3)cc2)cc1C 17328157 BSOSSLPKCOYKKN-CALCHBBNSA-N 402.516 3.354 0 40 HGAB Cc1nn(C)cc1-c1cc(C(=O)N2CCN(c3cc(C)c4ccccc4n3)CC2)on1 19118966 SVTASLBKXVMWQQ-UHFFFAOYSA-N 416.485 3.203 0 40 HGAB Cc1ccc(C)c([C@@H](NC(=O)c2ccnc(N3CCOCC3)c2)c2ccncc2)c1 19132328 SNDWADZNDZVGCS-QHCPKHFHSA-N 402.498 3.449 0 40 HGAB Cc1nc([C@H](Cc2c[nH]c3ccccc23)NC(=O)c2cc(C(C)C)n[nH]2)cc(=O)[nH]1 19285139 SDQVYCIQZXOYCC-SFHVURJKSA-N 404.474 3.120 0 40 HGAB O=C(c1cc(C2CCN(Cc3cccc(Cl)c3)CC2)no1)N1CCC[C@H](O)C1 19293391 SGVHUAQHXUUUOJ-SFHVURJKSA-N 403.910 3.305 0 40 HGAB O=C(N[C@@H](Cc1ccsc1)c1nccs1)[C@@H]1CC(=O)N(Cc2cccnc2)C1 19338797 LHOYXBVKSVQAQF-SJORKVTESA-N 412.540 3.048 0 40 HGAB CCCC(=O)N1c2ccc([C@@H](O)CN3CCN(c4nccs4)CC3)cc2C[C@@H]1C 19501700 ZMCNCINJVSEMRK-JXFKEZNVSA-N 414.575 3.076 0 40 HGAB Cc1cc(C)nc(N2CCO[C@H](c3nc(N(C)C)ncc3-c3cccc(F)c3)C2)n1 19692808 WNCYFIOGWCWVHK-IBGZPJMESA-N 408.481 3.333 0 40 HGAB Cc1cc(C(=O)Nc2ccc(C)c(S(=O)(=O)NC(C)C)c2)c2c(C)noc2n1 19715831 YFZJNWIPXGMPTC-UHFFFAOYSA-N 402.476 3.087 0 40 HGAB COc1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2C)C1 19857849 MVOSKKXYNNQUOX-KRWDZBQOSA-N 402.516 3.184 0 40 HGAB CC(C)(C)NC(=O)c1ccccc1NS(=O)(=O)c1ccc(N2CCCC2=O)cc1 19933739 XTPIFXGWSJOVNY-UHFFFAOYSA-N 415.515 3.143 0 40 HGAB COc1ccc(S(=O)(=O)N(C)Cc2ccc(Cl)cc2)cc1C(=O)N1CCCC1 20459476 OQFUCEBPXLDWEM-UHFFFAOYSA-N 422.934 3.405 0 40 HGAB CCOc1ccc(-c2noc(CCC(=O)Nc3nnc(C)s3)n2)cc1OCC 21524840 HLJPATWLICBBNM-UHFFFAOYSA-N 403.464 3.265 0 40 HGAB O=C(CCN1CCN(c2ccccc2O)CC1)Nc1ccc(Br)cc1F 22198010 RAAHHJGYUHBKTF-UHFFFAOYSA-N 422.298 3.445 0 40 HGAB OCCOCCOCCN1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 22588438 VUFOCTSXHUWGPW-QHCPKHFHSA-N 418.965 3.073 0 40 HGAB in-man CCN(CC)CCNC(=O)c1ccc(C)c(S(=O)(=O)N(CC)c2ccccc2)c1 22704427 TYLYQLVZECWRJN-UHFFFAOYSA-N 417.575 3.282 0 40 HGAB CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1S(C)(=O)=O 22926075 ANNGLZPTRLTJHF-UHFFFAOYSA-N 415.298 3.108 0 40 HGAB CC(C)Cn1c(=O)[nH]c(=O)c2c(C(=O)N3c4ccccc4C[C@H]3C)cc(C3CC3)nc21 24442478 VABOEPFNNMNRPQ-CQSZACIVSA-N 418.497 3.210 0 40 HGAB CC[C@H](Oc1ccccc1Cl)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 30868682 BPRIITSMDHDYIH-SFHVURJKSA-N 422.934 3.031 0 40 HGAB CCc1oc2ccccc2c1CN(C)C(=O)CCc1c(C)nc2nc(N)nn2c1C 32778202 YCGMURBWXSGELA-UHFFFAOYSA-N 406.490 3.223 0 40 HGAB Cc1ccccc1C(=O)N[C@H](C(=O)N1CCC[C@@H](c2nnc3ccccn23)C1)C(C)C 32830489 QWDZPFUUHNXKND-NQIIRXRSSA-N 419.529 3.198 0 40 HGAB COc1ccc(NC(=O)c2cc3ccc(F)cc3nc2C)cc1S(=O)(=O)N(C)C 32856092 ZULHDXLMQFOPRR-UHFFFAOYSA-N 417.462 3.194 0 40 HGAB O=S(=O)(NCCc1cc(F)cc2c1OCOC2)c1ccc(OC(F)(F)F)cc1 32916537 XYOSMHKYYUHZAL-UHFFFAOYSA-N 421.368 3.112 0 40 HGAB CC(=O)Nc1ccc(CN2CCC[C@H]2c2nc(-c3ccc(N(C)C)nc3)no2)cc1 35426290 TUBJQQSCBWWSDS-IBGZPJMESA-N 406.490 3.493 0 40 HGAB biogenic,in-vitro CCn1nccc1CN(CCc1ccccc1)S(=O)(=O)c1cnn(C(F)F)c1C 36615105 OEGKPLUTWFTIJZ-UHFFFAOYSA-N 423.489 3.237 0 40 HGAB CCCNC(=O)c1sccc1S(=O)(=O)N1CCN(c2cc(C)ccc2C)CC1 38655121 WUZWMMSKFSTKCE-UHFFFAOYSA-N 421.588 3.016 0 40 HGAB COc1cccc(CNC(=O)[C@H]2CC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)c1 40120086 BCQFFSGUAVCAIU-INIZCTEOSA-N 406.404 3.379 0 40 HGAB O=C(O)c1ccccc1NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc2c(c1)OCO2 40312435 TYZDGXBLKTYUEW-LJQANCHMSA-N 406.398 3.016 0 40 HGAB biogenic COCCNC(=O)c1cc2cc(N(C)S(=O)(=O)c3ccccc3)ccc2s1 46058473 ANWOCAXMROYJSF-UHFFFAOYSA-N 404.513 3.103 0 40 HGAB COc1ccc(NC(=O)N[C@@H](C)CN2CCCC2=O)cc1NC(=O)OC(C)(C)C 48262053 AQOXGCCMZUPMLK-ZDUSSCGKSA-N 406.483 3.175 0 40 HGAB CCCCCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(OCC)cc2)c1=O 51357648 KHZZMSDKNLFUQO-UHFFFAOYSA-N 409.486 3.391 0 40 HGAB O=C(NCc1ccccc1N1CCCC1)Nc1cccc(Cn2cccnc2=O)c1 56712251 UCGLQPVQLYJYKM-UHFFFAOYSA-N 403.486 3.214 0 40 HGAB C[C@@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)N1CCC[C@H](C(=O)N(C)C)C1 58215694 FPJRZUDGFHBPHE-ICSRJNTNSA-N 409.530 3.393 0 40 HGAB CCOC(=O)/C=C1\SCC(=O)N1CC(=O)Nc1c(Cl)ccc(C)c1Cl 58444931 QVTWOAVYLAMYIS-MLPAPPSSSA-N 403.287 3.220 0 40 HGAB C[C@](O)(CCc1ccccc1)CNC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 61975832 CMHRYPYBKYLLAX-JTSKRJEESA-N 400.906 3.193 0 40 HGAB Cn1cnc(S(=O)(=O)N2CCC[C@@H](c3cccc(Cc4ccccc4F)n3)C2)c1 72350338 METUIAQDNSSYEI-QGZVFWFLSA-N 414.506 3.113 0 40 HGAB Cc1noc(C)c1S(=O)(=O)N1CCC(c2ccc(Nc3ccccn3)cn2)CC1 72374318 FUWRZSUTTPSEPL-UHFFFAOYSA-N 413.503 3.393 0 40 HGAB COc1ccc(C(=O)[C@H]2CCCN2S(=O)(=O)c2c(Cl)nc3ccccn23)cc1 95443784 NMYUUHOYIMXVOX-OAHLLOKOSA-N 419.890 3.032 0 40 HGAB COc1cc([C@@H]2SCC(=O)Nc3c2c(O)nn3C2CCSCC2)ccc1O 96118363 MSWVMJGIBFALMG-INIZCTEOSA-N 407.517 3.146 0 40 HGAB O=C(NCc1ccco1)c1ncn2c(C3CCN(C(=O)C4CCCC4)CC3)ccnc12 96267238 JVDLXWRJGFZIOP-UHFFFAOYSA-N 421.501 3.149 0 40 HGAB O=c1c([C@@H]2NCCc3c2[nH]c2ccccc32)c(O)[nH]c(=S)n1-c1ccccc1F 100755811 GDKSMCSVPZODQG-SFHVURJKSA-N 408.458 3.456 0 40 HGAB biogenic COc1ccc(C2=NO[C@@H]3C(=O)N(c4cccc5ccccc45)C(=O)[C@H]23)cc1OC 101264255 BAEWPVAYDDDNNG-CTNGQTDRSA-N 402.406 3.150 0 40 HGAB Oc1nnc(-c2ccc(Br)cc2)c2c1Nc1nnnn1[C@@H]2c1ccccc1 112000086 WZIJXDPLJQRPLF-MRXNPFEDSA-N 422.246 3.293 0 40 HGAB C[C@@H](C(=O)NCc1ccc(Cl)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O 113940563 AGDDGEUQXJEWID-LBPRGKRZSA-N 401.315 3.464 0 40 HGAB C[C@H](Nc1ccc(C(=O)O)cc1S(=O)(=O)NC[C@@H]1CCCO1)c1ccccc1 217499398 ITSHCVYAQTWCPG-YOEHRIQHSA-N 404.488 3.015 0 40 HGAB Cc1ccc(CSCCNC(=O)CCCN(C)S(=O)(=O)c2ccccc2)cc1 219710809 ZEUXTVWHARVKMM-UHFFFAOYSA-N 420.600 3.445 0 40 HGAB CCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)COc1ccccc1OC 224516761 JEQMYSWLCRDYCT-IBGZPJMESA-N 414.502 3.026 0 40 HGAB Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)N[C@@H](C)c2ccccc2C)s1 225519066 IBKRUDOKUZKLCT-AWEZNQCLSA-N 416.528 3.447 0 40 HGAB COc1cccc2cc(C(=O)N3CC(n4cc(COc5ccccc5)nn4)C3)oc12 225626370 MHBYEPPRCPRYSB-UHFFFAOYSA-N 404.426 3.309 0 40 HGAB CC(C)(C)NS(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2Cl)s1 225848951 GSLWLUULASJUMT-UHFFFAOYSA-N 409.320 3.174 0 40 HGAB FC(F)(F)c1ccc(N2CCN(C3CCN(C[C@H]4CCCCO4)CC3)CC2)nc1 239611812 FEUBOZMNKVHPDJ-LJQANCHMSA-N 412.500 3.256 0 40 HGAB Cc1ccc(C(=O)N2CCC[C@@](COc3ccc(F)cc3)(CC(N)=O)C2)cc1F 257251712 JRWAKZXZLIMHOR-JOCHJYFZSA-N 402.441 3.450 0 40 HGAB CCn1c(CN2CCO[C@H](c3cccc(-c4cnn(C)c4)n3)C2)nc2ccccc21 257276115 NSKMRGLGBKJOMM-QFIPXVFZSA-N 402.502 3.425 0 40 HGAB CC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4cc5c(cc4C)n(C)c(=O)n5C)OCC[C@@]31C2 257322039 WEISJIKKEKUHQV-KCYCFVLESA-N 411.546 3.204 0 40 HGAB Cc1cccc(C(C)C)c1NC(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O 408546228 CXEGHLMLAZBXBY-UHFFFAOYSA-N 404.488 3.252 0 40 HGAB COc1ccc(Cl)cc1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 408650062 AITFXWGHCNJYHY-GFCCVEGCSA-N 420.824 3.023 0 40 HGAB CN(C)S(=O)(=O)c1ccc(Cl)c(NS(=O)(=O)Cc2cccc(Cl)c2)c1 517429024 XUGPAMFOWFMXIV-UHFFFAOYSA-N 423.343 3.186 0 40 HGAB CN(CC1CC1)C(=O)[C@@]12CCC(=O)N1c1ccccc1C(=O)N2Cc1ccccc1 544685072 HPAWYWVBPVPRCP-XMMPIXPASA-N 403.482 3.034 0 40 HGAB Cc1ccc(C(=O)N2CCC3(CC2)CO[C@@H](CN(C)[C@H]2CC[C@H](O)CC2)C3)cc1 585103471 GLBISVXFEJOGIG-YPAWHYETSA-N 400.563 3.242 0 40 HGAB Cc1cnc(Nc2nc(C3CCN(C(=O)[C@H]4CCCCN4)CC3)cn3cccc23)s1 585263388 YDEDAXFKSFJXON-QGZVFWFLSA-N 424.574 3.691 0 40 HGAB CC(C)C[C@H]1COc2ccccc2C(=O)N(C)CCCCN1C(=O)c1cnn(C)c1 643564110 JUBXWJRIWMILBZ-IBGZPJMESA-N 412.534 3.222 0 40 HGAB CC(=O)N1CCCCCCCN(CC(C)C)Cc2cc(C(=O)NCCO)ccc21 643573185 NYURLJJLXQVQCH-UHFFFAOYSA-N 403.567 3.184 0 40 HGAB CC[C@H](NC(=O)c1cc(-c2c[nH]c3ccccc23)[nH]n1)c1cccc(S(N)(=O)=O)c1 1633247386 YYTNPRUFCWCMRK-KRWDZBQOSA-N 423.498 3.087 0 40 HGAB CN(C1=NS(=O)(=O)c2ccccc21)C1CCN(c2ccnc3ccccc23)CC1 1888979422 ZFBMRYMPDZUKBE-UHFFFAOYSA-N 406.511 3.285 0 40 HGAB CC(C)C[C@@]1(C)NC(=O)N(Cc2nnc(-c3ccccc3Br)o2)C1=O 3363641 GWFRPWQCPGUILA-QGZVFWFLSA-N 407.268 3.356 0 40 HGAB COc1ccc(C)cc1-n1nnnc1SCC(=O)N[C@H]1CCCc2ccccc21 3491385 ACSUUXCUEXOYPI-KRWDZBQOSA-N 409.515 3.265 0 40 HGAB COc1c2c(cc3c1[C@H](C[C@H](O)CCc1ccc4c(c1)OCO4)N(C)CC3)OCO2 4042832 SDGLWTATVZQCPU-SJORKVTESA-N 413.470 3.065 0 40 HGAB biogenic CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N(CC(F)(F)F)[C@H](C)C2CC2)C1=O 4306660 IYVAOUNMMXYYRK-YJYMSZOUSA-N 411.424 3.033 0 40 HGAB Cc1cccc(NC(=O)CSc2nn3c(=O)c(C(C)(C)C)nnc3s2)c1C 4569851 OUZZSNPKQMYAQG-UHFFFAOYSA-N 403.533 3.191 0 40 HGAB COc1ccc(-c2noc(CCC(=O)N3CCN(c4ccc(F)cc4)CC3)n2)cc1 4901513 YQEJRBABJHVORP-UHFFFAOYSA-N 410.449 3.166 0 40 HGAB COc1ccc(C(=O)Nc2cccc(-c3ccc(N4CCOCC4)nn3)c2)cc1OC 4939889 HFIIUFJRCMTOQM-UHFFFAOYSA-N 420.469 3.250 0 40 HGAB COc1ccc([C@H]2CC(=O)N(c3cccc(C)c3)C3=C2C(=O)OC3)c(OC)c1OC 4944696 UJJIXCGAQZHDKX-MRXNPFEDSA-N 409.438 3.352 0 40 HGAB O=S(=O)(NC1CCN(Cc2ccccc2)CC1)c1ccc(Br)cc1 5682995 DAXDUPXKOREURJ-UHFFFAOYSA-N 409.349 3.392 0 40 HGAB CCOc1ccc(OCCCC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)cc1 5936220 NFUUOHQCEBHZKY-UHFFFAOYSA-N 406.504 3.133 0 40 HGAB COC(=O)[C@H](C)NC(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1c1ccc(F)cc1 6759529 KZVHCGZVCXANCQ-RNODOKPDSA-N 416.449 3.062 0 40 HGAB COc1ccc(C(=O)N(Cc2ccccc2F)[C@H]2CCS(=O)(=O)C2)cc1Cl 6811113 ZODIRQLAFGMFOL-HNNXBMFYSA-N 411.882 3.317 0 40 HGAB O=C(CSc1nnc(Cc2ccccc2)o1)N1CCN(c2ccccc2F)CC1 7290802 LLADYZIMYBMVOM-UHFFFAOYSA-N 412.490 3.240 0 40 HGAB Cc1cc(C(=O)COC(=O)Cn2c(=O)oc3ccccc32)c(C)n1Cc1ccccc1 7983254 ISAHEORUUCBBBF-UHFFFAOYSA-N 418.449 3.487 0 40 HGAB COc1ccccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1 8037740 VWMSPGINXCTYMZ-QGZVFWFLSA-N 418.449 3.383 0 40 HGAB CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1 8039943 NGMRDHQVGMUJLU-IBGZPJMESA-N 416.499 3.332 0 40 HGAB COc1ccc(C)cc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 8075836 SZYTWORYUAXXBC-HNNXBMFYSA-N 406.479 3.182 0 40 HGAB CCC1CCC2(CC1)NC(=O)N(CC(=O)N(C)Cc1ccc(SC)cc1)C2=O 8503489 LTCYDYWIUYHZCN-UHFFFAOYSA-N 403.548 3.258 0 40 HGAB COc1cc(/C=C/C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)O)cc(OC)c1OC 8955203 AVFYYTSZNIDXLE-GFOMBABLSA-N 424.453 3.019 0 40 HGAB COc1cc(NC(=O)NC[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)cc(OC)c1OC 9039879 DMYHSLPKNCRLNO-ZDUSSCGKSA-N 417.437 3.026 0 40 HGAB O=C(NCc1ccc(Cl)c(Cl)c1)C1CCN(c2ncnc3[nH]cnc23)CC1 9060271 CQEKQYBNMFVLRE-UHFFFAOYSA-N 405.289 3.193 0 40 HGAB CN(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1Cl 9225964 RTZGYOJCCXPPJS-UHFFFAOYSA-N 422.934 3.162 0 40 HGAB Cn1nnnc1-c1cccc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)c1 9319672 DNESYSSFHXBOOA-UHFFFAOYSA-N 417.800 3.350 0 40 HGAB O=C(CCN1C(=O)NC2(CCCC2)C1=O)Nc1ccc(-c2cn3ccsc3n2)cc1 9714903 PLTIHDRCNYDFNS-UHFFFAOYSA-N 423.498 3.256 0 40 HGAB COc1ccc(C)cc1N1C(=O)[C@@H]2C[C@H]1CN2C1CCN(Cc2ccccc2)CC1 11999672 OSICZSYQCUQCBE-GMAHTHKFSA-N 405.542 3.458 0 40 HGAB CC(C)c1cccc(N2C[C@@H](C(=O)Nc3ccc(NS(C)(=O)=O)cc3)CC2=O)c1 12526458 QRSCFWQAYVGQLC-INIZCTEOSA-N 415.515 3.173 0 40 HGAB O=C(N[C@H]1CCS(=O)(=O)C1)c1ccccc1-c1ncc(-c2ccc(F)cc2)o1 12552445 BYBNPMAAYHPLNV-HNNXBMFYSA-N 400.431 3.065 0 40 HGAB CC[C@H]1CN(C(=O)c2ccc(F)cc2)CC[C@H]1CC(=O)N1CCC(C(=O)OC)CC1 12602859 SMXMTCHSRDDFTI-LPHOPBHVSA-N 418.509 3.116 0 40 HGAB biogenic,in-vitro O=C(CCNC(=O)c1ccsc1)Nc1ccccc1I 12937499 HIDVNCRHWDCACY-UHFFFAOYSA-N 400.241 3.111 0 40 HGAB CC(=O)Nc1ccc(NC(=O)c2cn(C)nc2-c2ccc3c(c2)OCCCO3)cc1 12985374 LCHRGRXAEJZTFT-UHFFFAOYSA-N 406.442 3.459 0 40 HGAB C[C@H](Sc1nnc(-c2cccnc2)n1C1CC1)C(=O)N1CC(=O)Nc2ccccc21 14129388 LFWOLESDGGMZBW-ZDUSSCGKSA-N 420.498 3.141 0 40 HGAB O=c1c2cc(Cl)ccc2ncn1C[C@@H](O)COc1cccc(Br)c1 14184130 BATTUUZIFSCUJF-CYBMUJFWSA-N 409.667 3.252 0 40 HGAB CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)cc1 14576893 XLSCQKNHRMKPRP-UHFFFAOYSA-N 402.472 3.231 0 40 HGAB CSc1cccc(N2C[C@H](C(=O)Nc3ccccc3N3CCOCC3)CC2=O)c1 14870368 PZVZIGFJMYGMCR-MRXNPFEDSA-N 411.527 3.237 0 40 HGAB C[C@@H](Sc1ccccc1Br)C(=O)Nc1cccc(S(N)(=O)=O)c1 16549024 JODNLTPESDHBAZ-SNVBAGLBSA-N 415.334 3.216 0 40 HGAB O=C(Cn1nc2ccc(SC3CCCCC3)nn2c1=O)Nc1ccc(F)c(F)c1 16843621 YPMBEBICUFSYRM-UHFFFAOYSA-N 419.457 3.233 0 40 HGAB CCCS(=O)(=O)N1CCCc2cc(NS(=O)(=O)c3cccc(C)c3)ccc21 17287040 RYRIFGCDZZFKBC-UHFFFAOYSA-N 408.545 3.288 0 40 HGAB CCOC(=O)c1ccccc1NC(=O)Cn1cnc2c(sc3ccccc32)c1=O 17306748 FIRDGUVDUUOCQM-UHFFFAOYSA-N 407.451 3.427 0 40 HGAB Cc1ccc2cc([C@@H](c3nnnn3C3CCCCC3)N3CCOCC3)c(=O)[nH]c2c1C 19234215 APISYXYYCLWRCP-NRFANRHFSA-N 422.533 3.058 0 40 HGAB Cc1nnnn1-c1ccc(CC(=O)N2CCc3sccc3[C@H]2c2ccco2)cc1 19288427 WFZUSKQIJGVSHT-NRFANRHFSA-N 405.483 3.342 0 40 HGAB CCn1cc(S(=O)(=O)N2CCCC[C@H]2c2nnc(-c3ccsc3)o2)c(C)n1 19524658 PLODPZGZWMIHHT-AWEZNQCLSA-N 407.521 3.239 0 40 HGAB COc1ccc([C@H]2CCCN2C(=O)CCc2nc(-c3ccccn3)no2)cc1OC 19560252 AFXQFWZTBVWXQS-QGZVFWFLSA-N 408.458 3.445 0 40 HGAB COc1ccccc1CN1CCC(c2cc(C(=O)NCc3ccccn3)on2)CC1 19570148 TVWDOVVICMJPHW-UHFFFAOYSA-N 406.486 3.388 0 40 HGAB Cn1cc(-c2ccc([C@@H]3CN(C(=O)CCCN4CCCCCC4)CCO3)nc2)cn1 19693806 QHFDHGROSRQGDI-QFIPXVFZSA-N 411.550 3.038 0 40 HGAB Cc1ccc(Nc2nc(N)nc(CN3CCN(CCc4ccccc4)CC3)n2)c(C)c1 19899184 LTKUDTJARFRTKU-UHFFFAOYSA-N 417.561 3.175 0 40 HGAB O=C(Nc1cc(F)ccc1F)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1 19931150 FVKLISJNGRRJNO-HXUWFJFHSA-N 416.449 3.493 0 40 HGAB COc1ccc([C@@H](C)NC(=O)[C@H](C)N(c2ccc(C)cc2)S(C)(=O)=O)cc1OC 20037537 LRUQZEWHQQQZBA-CVEARBPZSA-N 420.531 3.044 0 40 HGAB CCN1CCN(C(=O)c2cc(NS(=O)(=O)c3ccc(C)cc3)ccc2Cl)CC1 20453473 JZJGYVYWSQWHSY-UHFFFAOYSA-N 421.950 3.227 0 40 HGAB CCOC(=O)[C@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@@H]1c1ccc(C)cc1 20802019 FRQKGLUJGKDIED-WOJBJXKFSA-N 407.470 3.106 0 40 HGAB CCc1ccc(Nc2nnc(S[C@H](C)C(=O)N3CCN(CC)CC3)s2)cc1 21746659 RSSZHTHPSRBBPK-CQSZACIVSA-N 405.593 3.489 0 40 HGAB CCOc1ccc(CN(C)C(=O)CN(C)S(=O)(=O)c2ccc(Cl)s2)cc1 23571778 MVSMGHCSBKNLDC-UHFFFAOYSA-N 416.952 3.079 0 40 HGAB COc1ccc(C(=O)N[C@@H](CN2CCOCC2)c2ccccc2)cc1Br 24178037 LZIITFOJVBXAOV-SFHVURJKSA-N 419.319 3.261 0 40 HGAB NC(=O)[C@@H]1C[C@@H](O)CN1c1nc(/C=C/c2ccccc2)nc2sc3c(c12)CCCC3 24770348 LOLRJOYQBCWZJL-ADEBZEFOSA-N 420.538 3.165 0 40 HGAB O=C(c1ccccc1C(F)(F)F)N1CCN(Cc2noc(-c3ccco3)n2)CC1 27232329 QHOUTLUBOVPBOT-UHFFFAOYSA-N 406.364 3.306 0 40 HGAB NS(=O)(=O)c1cccc(NC(=O)Cc2csc(-c3ccccc3Cl)n2)c1 27398358 PJGDLOXKYLQYIP-UHFFFAOYSA-N 407.904 3.292 0 40 HGAB CN(CCS(=O)(=O)c1cc(Cl)ccc1Cl)CC(=O)Nc1ccc(F)cc1 31242544 IRBJTKGSXLJLQJ-UHFFFAOYSA-N 419.305 3.477 0 40 HGAB O=C(NCC[C@@H]1CCCO1)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 32754823 KAWWOHSBMNAUDW-INIZCTEOSA-N 414.955 3.204 0 40 HGAB COc1ccc(C(=O)N[C@H](c2ccc(F)cc2)C(C)C)cc1S(=O)(=O)NC1CC1 32899726 KLRUWQZDXNAOLB-FQEVSTJZSA-N 420.506 3.402 0 40 HGAB COC(=O)c1ccc(F)c(NC(=O)CCC(=O)c2ccc3c(c2)OCCCO3)c1 32903230 GNQSHAJHMAYROT-UHFFFAOYSA-N 401.390 3.375 0 40 HGAB O=C(CN1CCN(c2ccc(O)cc2)CC1)N[C@H](c1ccccc1)c1cccs1 35400034 SEOZXGLIRHRDLO-HSZRJFAPSA-N 407.539 3.482 0 40 HGAB O=C(Cc1ccc(-n2cccn2)cc1)N1CCN(Cc2ccc(Cl)s2)CC1 40107463 KHSQQZMCSMWUID-UHFFFAOYSA-N 400.935 3.474 0 40 HGAB O=C(c1cccc(C(F)(F)F)c1)N1CCN(C(=O)[C@@H]2COc3ccccc3C2)CC1 40122018 VYPRLSCICMWBEU-KRWDZBQOSA-N 418.415 3.241 0 40 HGAB Cc1cccc(OCC(=O)NCc2cc(=O)n3nc(-c4ccccc4C)sc3n2)c1 41078124 CDKUULJEFZDHJC-UHFFFAOYSA-N 420.494 3.130 0 40 HGAB CC[C@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)c1ccccc1 44839338 DGGAFOUEWYTYFY-IBGZPJMESA-N 422.934 3.242 0 40 HGAB NC(=O)COc1cccc(C(=O)OCC(=O)Nc2ccc(-c3ccccc3)cc2)c1 44962546 HFDQLBSPOSBLPU-UHFFFAOYSA-N 404.422 3.013 0 40 HGAB CCC[C@H](C)NC(=O)[C@H]1CCCN(C(=O)CCc2nnc(-c3ccsc3)o2)C1 50733052 KCHHJVJPRFRIIA-GJZGRUSLSA-N 404.536 3.274 0 40 HGAB CCc1ccc(CNC(=O)Cn2ncn3nc(-c4cc(C)ccc4C)cc3c2=O)cc1 51317087 RSTQPEWCNPYPNA-UHFFFAOYSA-N 415.497 3.054 0 40 HGAB O=C(Nc1ccc(F)cc1)[C@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1 64985337 LLQMANDPVVKLQP-HXUWFJFHSA-N 412.442 3.421 0 40 HGAB O=C1N[C@@]2(COC3(CCN(C(=O)c4cccs4)CC3)C2)Nc2ccc(Cl)cc21 72325468 VICWKNPHWGODGW-FQEVSTJZSA-N 417.918 3.348 0 40 HGAB COc1ccc(-c2cnc(N)nc2[C@H]2CCCN(C(=O)Cc3ccccn3)C2)cc1 72346059 GUMXXDOJTVHSMX-KRWDZBQOSA-N 403.486 3.078 0 40 HGAB CCC(=O)N1CCC(c2nc(C)c3c(n2)N(CCCc2ccccc2)C(=O)C3)CC1 72371949 HRAULXNLBVDXAQ-UHFFFAOYSA-N 406.530 3.423 0 40 HGAB CC(C)NC(=O)[C@@]1(Cc2ccc(-c3cccnc3)cc2)CN(C(=O)C2CCC2)CCO1 72389184 YLVBFWWIDJJFKU-RUZDIDTESA-N 421.541 3.213 0 40 HGAB COC(=O)[C@H](CCSC)NC(=O)c1cn(Cc2ccccc2)c(=O)c2ccccc12 72400410 AGWYCTHSNGSSCU-FQEVSTJZSA-N 424.522 3.074 0 40 HGAB Cc1cc(Br)ccc1SCC(=O)N[C@](C)(C(N)=O)c1ccccc1 78720313 JRICHMMQWCVBJW-SFHVURJKSA-N 407.333 3.367 0 40 HGAB Cn1ccc2c(NC(=O)C3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)cccc21 95474043 BSHWGVNDKLGMGY-UHFFFAOYSA-N 415.490 3.357 0 40 HGAB COc1ccc(N2CCC[C@@H](C(=O)N[C@@H](c3nc4ccccc4[nH]3)C(C)C)C2)nn1 95474138 NBSNZJQGUVUOAS-FOIQADDNSA-N 408.506 3.091 0 40 HGAB CN(C)C1CCN(C(=O)c2cc(-c3cnc(NCc4ccccc4)nc3)cn2C)CC1 96147602 PIVRZXFGIYDUEJ-UHFFFAOYSA-N 418.545 3.260 0 40 HGAB Cc1noc(C)c1CN1CCC[C@@]2(CCN(S(=O)(=O)Cc3ccccc3)C2)C1 96216017 DRSRSVPPOAKGDD-OAQYLSRUSA-N 403.548 3.109 0 40 HGAB COc1ccc(/C=C2/SC(=O)N(CCNC(=O)c3ccc(OC)cc3)C2=O)cc1 96551237 PCCJLZZDZGAOKW-QGOAFFKASA-N 412.467 3.170 0 40 HGAB O=C(O)c1ccc(NC(=O)[C@@H]2[C@@H](C(=O)OCC(F)(F)C(F)F)[C@H]3C=C[C@H]2C3)cc1 100072505 JAJYJBRWUHDWIJ-IMIFBBOLSA-N 415.339 3.205 0 40 HGAB O=C1N[C@@]2(C[C@H]3CC[C@H]2C[C@@H]3C(=O)NC[C@@H]2Cc3ccccc3O2)Nc2ccccc21 100117994 DRHNZLKKBDZOQB-MNKAUFHQSA-N 417.509 3.094 0 40 HGAB Cc1ccc(C)c(N2CCN(S(=O)(=O)C[C@@]34CC[C@H](CC3=O)C4(C)C)CC2)c1 101031459 DJYBGPZXBLFKCU-GCJKJVERSA-N 404.576 3.151 0 40 HGAB Cc1cc(C(=O)NC2C[C@H]3CC[C@H](C2)N3C)c2c(C)nn(Cc3ccccc3)c2n1 101553267 CEYSAWSPZXKTFY-WOJBJXKFSA-N 403.530 3.451 0 40 HGAB NC(=O)c1c(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)sc2c1CCc1ccccc1-2 102334732 UCSAXWWURHOFEE-APYUEPQZSA-N 408.479 3.074 0 40 HGAB CCCCOC(=O)c1ccc([C@@H]2N=c3cc(C)c(N)c(Br)c3=N2)cc1 103533884 DZOQJKOTLPTTCD-GOSISDBHSA-N 402.292 3.248 0 40 HGAB Cc1cc(OC2CN(C(=O)c3c(-c4ccccc4Cl)noc3C)C2)cc(=O)o1 206958647 WSHNRGDIYCUDIX-UHFFFAOYSA-N 400.818 3.468 0 40 HGAB CC[C@H](C(=O)N[C@@H](C)c1ccc(OC)c(OC)c1)N(c1ccccc1)S(C)(=O)=O 216272333 HMTNCPMWEFSMHS-MAUKXSAKSA-N 420.531 3.126 0 40 HGAB CCc1ccc(N([C@H](C)C(=O)NCCCc2cccc(C)c2)S(C)(=O)=O)cc1 220284426 DTSULFCMSNLSAF-GOSISDBHSA-N 402.560 3.461 0 40 HGAB COC(=O)c1ccccc1NC(=O)[C@@H](C)N(c1ccc(C)c(Cl)c1)S(C)(=O)=O 220354226 YKLKTIFEMCYJEG-CYBMUJFWSA-N 424.906 3.228 0 40 HGAB CC[C@@H](C(=O)NCCc1ccc(OC)cc1)N(c1cc(C)ccc1C)S(C)(=O)=O 220535875 LOJPQHDERRTEPK-FQEVSTJZSA-N 418.559 3.216 0 40 HGAB O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C1=O)Nc1ccc(Oc2ccccc2)cc1 222464576 BHLDCODYWYEGSQ-GRWJBRFTSA-N 414.461 3.471 0 40 HGAB CNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)COc1ccc(Br)cc1 222905430 HYCRADMJZDLCFG-HNNXBMFYSA-N 419.319 3.034 0 40 HGAB CC[C@H](C(=O)NC)N(Cc1ccccc1)C(=O)CSCc1ccc(OC)cc1 222922505 SJZARQCVBVDYSO-HXUWFJFHSA-N 400.544 3.482 0 40 HGAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21 222992028 IERRZBDLQNITSX-OAQYLSRUSA-N 416.543 3.300 0 40 HGAB COCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1Cc1ccccn1 223068720 IXNUTOLGSLCZKK-LEWJYISDSA-N 407.543 3.335 0 40 HGAB C[C@@H](CNC(=O)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1)c1ccccc1 224355801 XXBALJLRCFYDDY-KRWDZBQOSA-N 418.534 3.287 0 40 HGAB COc1ccc(-c2cc(C(=O)NC[C@H]3CCCN4CCCC[C@H]34)n(C)n2)c(OC)c1 225407568 MQBBIEKHQOAWIV-OXQOHEQNSA-N 412.534 3.099 0 40 HGAB biogenic COc1ccc(NC(=O)C(C)(C)NS(=O)(=O)Cc2ccc(F)cc2)cc1Cl 225923357 VTLXREBAUZOAQI-UHFFFAOYSA-N 414.886 3.324 0 40 HGAB Cc1cc(C(=O)NC[C@H]2C[C@@]3(C)[C@@H](O)CCCC[C@H]3N2C(=O)OC(C)(C)C)on1 257297303 RGSJRZKKVWKDEB-RACNMONISA-N 407.511 3.032 0 40 HGAB CCc1onc(C)c1-c1cccc([C@@H]2CN(C(=O)c3cnc(C)nc3C)CCO2)n1 257339690 ZCTVNKXMCCCQID-FQEVSTJZSA-N 407.474 3.228 0 40 HGAB COc1ccccc1-c1ccc2c([C@@H]3CN(Cc4cccnc4)CCN3C)nnn2c1 306126717 FDFAOBXIQNIAKO-QFIPXVFZSA-N 414.513 3.289 0 40 HGAB O=C(CCc1ccccc1)N1CCO[C@H](c2nnn3cc(-c4ccncc4)ccc23)C1 306127544 GBIWGQOOMQSPMY-QFIPXVFZSA-N 413.481 3.324 0 40 HGAB Cc1cc(C)cc(CN2C[C@H]3Cn4c(nnc4C(=O)Nc4ccccc4)C[C@H]3C2)c1 306128934 HORGDPWUYAHXHE-PMACEKPBSA-N 401.514 3.452 0 40 HGAB CC1CCN(S(=O)(=O)c2ccc(OCC(=O)Nc3c(F)cccc3F)cc2)CC1 408627465 ZXTGEJQETRWZCW-UHFFFAOYSA-N 424.469 3.403 0 40 HGAB COc1cccc(/C=C2\NC(=O)N(Cc3ccc(Br)cc3)C2=O)c1O 408929500 KGKNJWPETLMSIN-ZROIWOOFSA-N 403.232 3.256 0 40 HGAB COc1cccc(C2=NN(C(=O)COc3ccc(F)cc3)[C@](O)(C(F)(F)F)C2)c1 409351847 BENVNWDFSXEMHS-GOSISDBHSA-N 412.339 3.101 0 40 HGAB Cc1cccc(C(=O)N2CCO[C@@]3(CCCCc4ccccc4OCCNC3=O)C2)c1 643556378 LJQIDMASTRUDBL-VWLOTQADSA-N 422.525 3.128 0 40 HGAB O=C(CN1CCC[C@@H]1C[C@@H]1C[C@H]2CC[C@H]1C2)NCC(=O)Nc1ccc(F)c(F)c1 1190741325 FGJBJDBKFFOUKL-NBOOPKSLSA-N 405.489 3.310 0 40 HGAB O=C(Nc1cccc(C(=O)N2CCC(O)CC2)c1)c1cccc2nc(C(F)F)[nH]c12 1624453302 NMUSGIVZFHWYIT-UHFFFAOYSA-N 414.412 3.350 0 40 HGAB CC(C)Oc1ccc(C(=O)N2CCC(c3nnc4ccc(C5CC5)nn34)CC2)cn1 1888897915 RSTPTZJYKGDOPT-UHFFFAOYSA-N 406.490 3.204 0 40 HGAB COC(OC)C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(C(C)(C)C)C(=O)[C@@H]12 712321 SKWPXXIGEJKHRT-PRFRBYCISA-N 405.494 3.450 0 40 HGAB CCOc1ccc(CCNC(=O)CSc2nc3ncccc3[nH]2)cc1OCC 720768 XOOYHQWQJYBKDM-UHFFFAOYSA-N 400.504 3.206 0 40 HGAB COc1cc([C@H]2C(C(=O)O)=C(C)Oc3cc4c(cc32)OCO4)cc(OC)c1OC 1614052 IDADLLJOYKJGOF-LJQANCHMSA-N 400.383 3.324 0 40 HGAB Cc1cc(S(=O)(=O)O)c(NC(=O)c2oc3cc(O)ccc3c(=O)c2C)cc1Cl 1631442 CEQYEVNGXMVCSE-UHFFFAOYSA-N 423.830 3.268 0 40 HGAB COc1cccc(OC)c1C(=O)Nc1c2c(nn1-c1ccccc1C)C[S@](=O)C2 2725077 BITWRRDHSMKJQM-LJAQVGFWSA-N 411.483 3.213 0 40 HGAB Cc1nn(C)cc1CN(C)C(=O)c1ccc(Cn2nc(C)c(Br)c2C)o1 2778978 IDPMNQQWAZZFBT-UHFFFAOYSA-N 420.311 3.218 0 40 HGAB CC[C@@H]1CCCCN1C(=O)COC(=O)c1ccc(I)cc1 3249162 IEUTYBGSNLRHHM-CQSZACIVSA-N 401.244 3.239 0 40 HGAB COc1ccc(-n2nnnc2SCC(=O)NCc2ccc(Cl)cc2Cl)cc1 3500785 NMXKHSITXYWGJD-UHFFFAOYSA-N 424.313 3.386 0 40 HGAB COCCNC(=S)N(Cc1ccccc1)Cc1cc2ccc(OC)cc2[nH]c1=O 4133103 SGDNSLBENKSDIK-UHFFFAOYSA-N 411.527 3.060 0 40 HGAB COc1ccc(-c2nc(CCNS(=O)(=O)c3ccccc3)cs2)cc1OC 4166924 MKHBROCJHYHNCT-UHFFFAOYSA-N 404.513 3.348 0 40 HGAB Cc1ccc(NC(=O)CN2C(=O)N/C(=C\c3ccccc3Br)C2=O)cc1 4704809 RIPKKRLDKXDJEW-YBEGLDIGSA-N 414.259 3.289 0 40 HGAB Cc1cc(OCC(=O)N(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)ccc1Cl 5099907 XBSXQFCVNVLEHY-AWEZNQCLSA-N 413.948 3.305 0 40 HGAB COc1cc(NS(=O)(=O)c2ccc(OC)c(NC(C)=O)c2)c(OC)cc1Cl 5121359 BIHPZMPXGNRCDN-UHFFFAOYSA-N 414.867 3.125 0 40 HGAB O=C(CCCCCn1cnc2ccccc2c1=O)N1CCN(c2ccccc2)CC1 5266306 IYZOHBSYWZCMAK-UHFFFAOYSA-N 404.514 3.306 0 40 HGAB COc1ccc(CCNCC(=O)Nc2cc(N(C)C)nc3ccccc23)cc1OC 5695702 HCBRYXQVMSLAOZ-UHFFFAOYSA-N 408.502 3.089 0 40 HGAB Cc1nnc(S[C@@H](C)C(=O)c2ccc(NS(C)(=O)=O)cc2)n1-c1ccccc1 6985269 MSYKPVLWYIORIC-ZDUSSCGKSA-N 416.528 3.311 0 40 HGAB COc1ccccc1N1CCN(C(=O)CN(Cc2ccco2)Cc2ccco2)CC1 7356623 OYFNPDNUUHWMDI-UHFFFAOYSA-N 409.486 3.232 0 40 HGAB CC1(C)Cc2cccc(OCc3ccc(C(=O)N4CCC(C(N)=O)CC4)cc3)c2O1 7454266 HPXBOUTZAOAJFV-UHFFFAOYSA-N 408.498 3.317 0 40 HGAB COc1ccc(NC(=O)[C@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)cc1Cl 7872037 BMSULWOIVCZXHN-NSHDSACASA-N 400.859 3.281 0 40 HGAB C[C@@H](NC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1)c1ccccc1 8039987 XSCMBYVYKKAFMT-GDBMZVCRSA-N 400.862 3.114 0 40 HGAB O=C(NCc1ccc(F)cc1)[C@H](Cc1ccccc1)n1c(O)nc2ccccc2c1=O 8743000 FXBLTOWCXBEWII-NRFANRHFSA-N 417.440 3.341 0 40 HGAB C[C@@H](NC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1)c1ccc(-n2cncn2)cc1 8751429 LLQOLCNPHVIGRW-IEBWSBKVSA-N 418.501 3.389 0 40 HGAB O=C(C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)OCC(=O)N1CCCC1 9199675 JZJKGPFTQGKCCF-LJQANCHMSA-N 414.889 3.367 0 40 HGAB O=C(NCCC1CCN(Cc2ccccc2)CC1)C1CCN(c2ncccn2)CC1 9547533 JDYOFVSDHSYURU-UHFFFAOYSA-N 407.562 3.112 0 40 HGAB COc1cccc(N2C[C@H](C(=O)Nc3nnc(CCc4ccccc4)s3)CC2=O)c1 9614745 NVIVJMNBSMGMIB-MRXNPFEDSA-N 422.510 3.324 0 40 HGAB CCc1ccc(S(=O)(=O)NCCn2nc(-c3ccc(Cl)cc3)ccc2=O)cc1 9844664 DEFSJWKSWNYDCN-UHFFFAOYSA-N 417.918 3.105 0 40 HGAB C[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)c1ccc(-n2ccnc2)cc1 9909558 PJAHFQPLIYZDIF-QGZVFWFLSA-N 424.526 3.148 0 40 HGAB COc1ccc(Cl)cc1N(CC(=O)N1CCCc2ccccc21)S(C)(=O)=O 10449544 AVSGKIWECLXJQM-UHFFFAOYSA-N 408.907 3.094 0 40 HGAB Cc1onc(-c2ccccc2Cl)c1C(=O)NCc1nnnn1-c1cccc(F)c1 10593675 PYQSFISYSCXVLP-UHFFFAOYSA-N 412.812 3.348 0 40 HGAB Cc1ccc2c(COC(=O)CCCc3nc4ccccc4c(=O)[nH]3)cc(=O)oc2c1 11039174 XHIRMEKOYFZHJZ-UHFFFAOYSA-N 404.422 3.404 0 40 HGAB O=C(NCc1ccc(COCC(F)(F)F)cc1)c1ccc(Cn2cncn2)cc1 11284500 IOKOEQNAFOFCCQ-UHFFFAOYSA-N 404.392 3.335 0 40 HGAB NC(=O)c1ccc(NC(=O)Cc2csc(SCC(=O)c3cccs3)n2)cc1 11694996 OQMMPJNSNOHULS-UHFFFAOYSA-N 417.537 3.460 0 40 HGAB Cc1ccc2c(c1)C(=O)C[C@H](C1CCN(C(=O)c3cc(-c4cnn(C)c4)on3)CC1)O2 12154165 DSQHPQYWSHMGSS-OAQYLSRUSA-N 420.469 3.270 0 40 HGAB O=C(C[C@@H]1CSc2nc3c(cnn3-c3ccccc3)c(=O)n21)Nc1ccc(F)cc1 12233118 HQNMUBDSOPDCMA-MRXNPFEDSA-N 421.457 3.397 0 40 HGAB COCCOc1cccc(CN2CCC(c3cc(O)nc(-c4cnccn4)n3)CC2)c1 12327342 VRISGHDSTFRNPW-UHFFFAOYSA-N 421.501 3.044 0 40 HGAB CCNc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)Cc1ccccc1F 12523053 ODFZVXKHLMLMGA-UHFFFAOYSA-N 407.511 3.469 0 40 HGAB CCOC(=O)C1CCN(C(=O)CSc2nccn2-c2ccc(C)cc2C)CC1 12573228 RULCVLUNKYKEGB-UHFFFAOYSA-N 401.532 3.383 0 40 HGAB Cn1ccnc1[C@H](NC(=O)CCC(=O)c1ccc2c(c1)OCCCO2)c1ccccc1 12741442 PFVBTPFZHPOHMC-HSZRJFAPSA-N 419.481 3.450 0 40 HGAB CN(CC(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21)Cc1ccc(F)c(F)c1 12764475 BZZZIFJZIGOLIU-UHFFFAOYSA-N 413.346 3.401 0 40 HGAB CCN1CCN(c2ccc(NC(=O)CCCNC(=O)c3ccsc3)c(C)c2)CC1 12790577 GJCCFMGHHCYHMP-UHFFFAOYSA-N 414.575 3.347 0 40 HGAB COc1ccc(Br)cc1CN(C)S(=O)(=O)N1C[C@H](C)C[C@@H](C)C1 12853328 JVZJDOGNOFKSAB-CHWSQXEVSA-N 405.358 3.112 0 40 HGAB CCc1ccc([C@H](CNC(=O)[C@H](NC(=O)Cc2ccccc2)C(C)C)N(C)C)cc1 12909419 VBSVXWMWHDGVOV-LADGPHEKSA-N 409.574 3.351 0 40 HGAB O=C(Nc1ccccc1O)C1CCN(C(=O)c2ccc(OC[C@H]3CCCO3)cc2)CC1 12987592 YHDNTUGHODBIOV-HXUWFJFHSA-N 424.497 3.441 0 40 HGAB CCOC(=O)N1CCN(Cn2nc(-c3ccc(Cl)cc3)n(CC)c2=S)CC1 13071898 NHFJWKBPJDCEFZ-UHFFFAOYSA-N 409.943 3.486 0 40 HGAB O=S1(=O)N[C@@H](C2CCN(Cc3ccc4ccccc4n3)CC2)Nc2ccccc21 13267684 SXBNCQWACWQORJ-QFIPXVFZSA-N 408.527 3.177 0 40 HGAB CC(C)CCn1c(SCc2ccccc2Cl)nc2c1c(=O)n(C)c(=O)n2C 13583437 GIXFUATVNPHHIG-UHFFFAOYSA-N 406.939 3.426 0 40 HGAB Cc1ccc(/C=C/C(=O)N(CC(C)C)[C@H]2CCS(=O)(=O)C2)c(Br)c1 14197414 LTWVWARAOQWOJQ-MOEXGYKKSA-N 414.365 3.442 0 40 HGAB Cn1cc(CCC(=O)N2CCO[C@@H](c3nc(-c4ccncc4)no3)C2)c2ccccc21 19290423 QXMWQRKZROPBOX-HXUWFJFHSA-N 417.469 3.156 0 40 HGAB COc1ccc(C2(C(=O)N3C[C@@H](c4cccnc4)[C@@]4(CCCCC(=O)N4)C3)CC2)cc1 19553634 XAGBYRQOOBCHHO-SQJMNOBHSA-N 419.525 3.177 0 40 HGAB Cc1nc([C@@H](Cc2ccsc2)NC(=O)c2cccc(S(N)(=O)=O)c2)sc1C 19559824 VMMDRMVFYNLQPL-MRXNPFEDSA-N 421.569 3.183 0 40 HGAB CNC(=O)[C@]1(Cc2cccc(-c3cccs3)c2)CCCN(C(=O)c2cnccn2)C1 19591255 ZFIYNDDGMYKLQL-QHCPKHFHSA-N 420.538 3.416 0 40 HGAB CCc1cc(C(=O)Nc2ccc3c(c2)N(S(C)(=O)=O)CCC3)c2c(C)noc2n1 19663527 HIXSAAOFVGONOU-UHFFFAOYSA-N 414.487 3.058 0 40 HGAB O=C(CC1CCN(C(=O)CC2CCCCC2)CC1)NCc1ccc2[nH]c(=O)[nH]c2c1 19748604 RVFUUSWGXRWYEF-UHFFFAOYSA-N 412.534 3.072 0 40 HGAB Cc1ccc(C(=O)NCc2ccc(OC(C)C)cc2)cc1S(=O)(=O)N1CCCC1 20489245 RRSSWOXNXUODLD-UHFFFAOYSA-N 416.543 3.497 0 40 HGAB COc1cc(C(=O)N[C@H](C(=O)Nc2ccc(F)cc2)C(C)C)cc(OC)c1OC 22067668 HQTONIOSZIDYDC-SFHVURJKSA-N 404.438 3.245 0 40 HGAB CCOc1ccccc1N1CCN(C(=O)[C@@H](NC(=O)C2CCCCC2)C(C)C)CC1 22242504 JLYZHQJIBHOBMH-QFIPXVFZSA-N 415.578 3.455 0 40 HGAB C[C@@H](Sc1nncn1-c1ccccc1)C(=O)N1CCN(Cc2ccccc2)CC1 22298085 COWAFPOLDGJISA-GOSISDBHSA-N 407.543 3.092 0 40 HGAB Cc1noc2nc(-c3cccs3)cc(C(=O)NCCCN3C[C@@H](C)O[C@H](C)C3)c12 23509675 CISDEXNLVBRHEI-ZIAGYGMSSA-N 414.531 3.489 0 40 HGAB O=C([C@@H]1CC(=O)N(c2ccccc2Cl)C1)N1CCN(Cc2cccs2)CC1 23735709 ANFZLVWAVUKPMD-OAHLLOKOSA-N 403.935 3.099 0 40 HGAB O=C(NCCc1ccccc1)C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1 24607387 MWPMIIAXTOCKLU-UHFFFAOYSA-N 420.962 3.241 0 40 HGAB O=c1c2cc(Cl)cc(Cl)c2ncn1C[C@H](O)COCc1ccc2c(c1)OCO2 24987702 STFQVLFUGNHDBK-ZDUSSCGKSA-N 423.252 3.010 0 40 HGAB COC(=O)c1n[nH]c2ccc(NC(=O)COc3ccc(F)cc3Br)cc12 25014255 NLTLFEBJZUYANG-UHFFFAOYSA-N 422.210 3.269 0 40 HGAB CN(C)[C@H](CNC(=O)NCc1ccc(C(=O)N2CCCCC2)cc1)c1ccsc1 26146417 ONBNWLKWCNZLQX-HXUWFJFHSA-N 414.575 3.476 0 40 HGAB NS(=O)(=O)c1ccc(NC(=O)CCSCc2csc(-c3ccco3)n2)cc1 27193857 HWIFMUMBTIETEN-UHFFFAOYSA-N 423.541 3.313 0 40 HGAB CCN(CC)C(=O)Cn1cnc2c(sc3nc4c(cc32)CO[C@@](C)(CC)C4)c1=O 32074181 KEHDDZQSUWLZSF-NRFANRHFSA-N 414.531 3.116 0 40 HGAB COc1cc2c(cc1OC)-c1c(c(C(=O)NCCc3c[nH]c4ccccc34)nn1C)C2 32124165 SWEQAVSASGABIH-UHFFFAOYSA-N 416.481 3.462 0 40 HGAB biogenic Cc1cc(N2C[C@@H](C(=O)NC3CCN(C(C)C)CC3)CC2=O)ccc1Br 32795774 OQLNKOVJBOFDGY-HNNXBMFYSA-N 422.367 3.099 0 40 HGAB COc1cc(CNC(=O)c2cnc3sccn3c2=O)ccc1OCCC(C)C 32930828 CNFVLGHSXFQILA-UHFFFAOYSA-N 401.488 3.120 0 40 HGAB O=C(c1cc(-c2cccs2)n([C@H]2CCS(=O)(=O)C2)n1)N1CCc2ccccc21 33325430 PDMITGBZDDVHNW-HNNXBMFYSA-N 413.524 3.174 0 40 HGAB O=C(CCC(=O)N1CCN(c2nsc3ccccc23)CC1)Nc1ccc(O)cc1 36357082 PDNPRHPMCYZIID-UHFFFAOYSA-N 410.499 3.069 0 40 HGAB COc1ccc2c(C)c(CC(=O)Nc3nnc(CC(C)C)s3)c(=O)oc2c1OC 36358328 GMWWIKJAXNYUJT-UHFFFAOYSA-N 417.487 3.350 0 40 HGAB CC(C)S(=O)(=O)c1ccc(CC(=O)NCC2(c3cccs3)CCOCC2)cc1 38940126 CMKMPLRLODOLET-UHFFFAOYSA-N 421.584 3.337 0 40 HGAB Cc1oc(C(=O)Nc2cnc(-c3ccccc3)nc2)cc1S(=O)(=O)N1CCCC1 40132015 XBBPSEBRGJRSDQ-UHFFFAOYSA-N 412.471 3.082 0 40 HGAB COc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccc(NC(C)=O)cc1 40486264 OIRIUNLVERQMBX-FQEVSTJZSA-N 418.457 3.173 0 40 HGAB CN1CCN(Cc2ccccc2CNS(=O)(=O)c2ccc3ccccc3c2)CC1 41629162 MWZZFPQJIIAHMK-UHFFFAOYSA-N 409.555 3.066 0 40 HGAB CC[C@H](NC(=O)[C@H]1CN(S(C)(=O)=O)c2cc(C)ccc2O1)c1ccc(C)cc1C 44856735 ZJTWPAJASUWTOU-GHTZIAJQSA-N 416.543 3.406 0 40 HGAB CN(c1ccccc1)c1ccc(C(=O)NC2CCN(C(=O)c3ccco3)CC2)cn1 45061009 IFAGNYNWHAUEJT-UHFFFAOYSA-N 404.470 3.477 0 40 HGAB Cc1nnnn1[C@@H](Cc1ccc(F)cc1)C(=O)N1CCC(C(=O)c2ccccc2)CC1 48300579 ADYNVSIQISGSEN-NRFANRHFSA-N 421.476 3.026 0 40 HGAB O=S(=O)(c1ccc2nncn2c1)N(Cc1ccccc1F)c1cccc(F)c1 49408446 HNCRMFPSKBGCPI-UHFFFAOYSA-N 400.410 3.403 0 40 HGAB COc1ccc(N2C[C@H](C(=O)N3CCN(c4cc(C)ccc4C)CC3)CC2=O)cc1 57416674 HQBVUSYLRIYUCV-LJQANCHMSA-N 407.514 3.014 0 40 HGAB CCc1cc2c(=O)n(CC(=O)N(C)Cc3ccc(OC(F)F)cc3)cnc2s1 57954083 TWEDYFATZYFVDT-UHFFFAOYSA-N 407.442 3.280 0 40 HGAB Cc1nc2cc(NC(=O)CS(=O)(=O)Cc3cccc(Br)c3)ccc2o1 72022756 YOHAKYJFFOPQEV-UHFFFAOYSA-N 423.288 3.452 0 40 HGAB COc1ccc(C(=O)N[C@@H](Cc2ccc(F)cc2)C(C)C)cc1S(=O)(=O)N(C)C 72303712 VOXTVAPLOUMEJX-SFHVURJKSA-N 422.522 3.082 0 40 HGAB COC(=O)c1nc(NC(=O)CCCn2cnc3ccccc3c2=O)sc1C(C)C 72401792 LNJAOGUKHDIZIA-UHFFFAOYSA-N 414.487 3.182 0 40 HGAB COc1cccc2c1ccn2CCNC(=O)Cc1nn(C(C)C)c(=O)c2ccccc12 79479545 YVUQZYHADKMAOL-UHFFFAOYSA-N 418.497 3.300 0 40 HGAB COC(=O)c1ccc(NC(=O)COC(=O)c2ccccc2C(=O)c2ccccc2)cc1 89404688 MSQJSJUBINSEGE-UHFFFAOYSA-N 417.417 3.500 0 40 HGAB O=S(=O)(NCc1nn(C2CCCC2)c2c1CCCC2)c1ccc2c(c1)OCCO2 96099250 LDRVCKAGPPPPMZ-UHFFFAOYSA-N 417.531 3.127 0 40 HGAB CN1CCN(c2ccc3c(-c4ncc(C(=O)NCc5ccco5)s4)noc3c2)CC1 96154598 XIXSGSWEQMJWMT-UHFFFAOYSA-N 423.498 3.226 0 40 HGAB COc1c(C)cccc1C(=O)N[C@@H](C)c1cc(O)n2nc(C3CCOCC3)cc2n1 100769422 CIZZSGPOHBOTDK-AWEZNQCLSA-N 410.474 3.137 0 40 HGAB COc1ccccc1NC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 101465291 RBMCLHXVZKWHQE-QTOWHEFOSA-N 418.493 3.276 0 40 HGAB O=C1[C@H]2CCCC[C@H]2C(=O)N1c1ccccc1-c1nc(=O)c(-c2ccc(F)cc2)n[nH]1 101894527 RUDIHTBCSAYPHG-IYBDPMFKSA-N 418.428 3.318 0 40 HGAB CC[C@@H](C(=O)NCCSCc1ccccc1)N(c1ccccc1F)S(C)(=O)=O 220589236 LUASHUDQKLVZFB-SFHVURJKSA-N 424.563 3.420 0 40 HGAB CCS(=O)(=O)N1C[C@@H](C(=O)NCc2ccc3ccccc3c2)Oc2ccccc21 222785590 WTQJYOIODCGMLH-NRFANRHFSA-N 410.495 3.073 0 40 HGAB CSc1ccc(S(=O)(=O)N2CCN(c3ccccc3F)CC2)cc1NC(C)=O 223128309 WQVCCOQFDBKHRX-UHFFFAOYSA-N 423.535 3.017 0 40 HGAB COc1ccc(CNS(=O)(=O)c2ccc3c(c2)CCN3C(=O)c2ccccc2)cc1 223263694 TWKXCHYLYWEUNB-UHFFFAOYSA-N 422.506 3.377 0 40 HGAB CCOC(=O)c1cc(NS(=O)(=O)c2ccc(C)c(C(=O)OC)c2)ccc1Cl 223822527 MQOXAIYVBWPCGD-UHFFFAOYSA-N 411.863 3.413 0 40 HGAB Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NCc3cccnc3)cc2)cc1 224423873 XBEKZBGENHZVQF-UHFFFAOYSA-N 409.511 3.141 0 40 HGAB COc1ccccc1CCCNS(=O)(=O)c1ccc(SC)c(NC(C)=O)c1 224752978 DOJZKQGVQBNTGL-UHFFFAOYSA-N 408.545 3.287 0 40 HGAB CCOC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(OC)c(F)c1 225097880 UJTMLVFAAAYDFV-UHFFFAOYSA-N 401.843 3.246 0 40 HGAB CCCn1c(=O)sc2cc(S(=O)(=O)Nc3ccccc3C(=O)OC)ccc21 225722233 BCIODJNNTRVLDT-UHFFFAOYSA-N 406.485 3.060 0 40 HGAB O=C1N[C@]2(C[C@H]3CC[C@H]2C[C@@H]3C(=O)N2CCC(=O)[C@H]3CCCC[C@@H]32)Oc2ccccc21 247960008 PTQZIMJJUTXQOV-MJNYJXSYSA-N 422.525 3.302 0 40 HGAB Cc1ccc(CN(CC(=O)O)C(=O)Cn2c(C(F)(F)F)nc3ccccc32)cc1 257258442 KTWFTQGMVMVNAN-UHFFFAOYSA-N 405.376 3.477 0 40 HGAB COc1ccccc1Cc1cnc([C@H]2CCCN(C(=O)COc3cccnc3)C2)o1 257309794 UCKPRPDUONAIQF-SFHVURJKSA-N 407.470 3.454 0 40 HGAB CC[C@@H](NC(=O)[C@H](C)N(c1ccccc1)S(C)(=O)=O)c1ccc(OC)c(C)c1 260767784 PDNVFUXCTSCRHC-QFBILLFUSA-N 404.532 3.426 0 40 HGAB O=C(Cc1ccc2c(c1)CCCO2)N1CC2(C1)OCC[C@@H]2CCOCc1ccccn1 306130585 JKGODVNTNGQVET-NRFANRHFSA-N 422.525 3.174 0 40 HGAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NC3CCCCC3)C2)cc1C 408558523 RTKCQQPYZSSBQO-QGZVFWFLSA-N 408.564 3.243 0 40 HGAB COc1cc(O)c(Cl)c2c1C(=O)O[C@H](C)CCC(=O)CC[C@@H](OC)CC(=O)C2 514287834 DEMKQUIZOFIHRZ-BXUZGUMPSA-N 412.866 3.259 0 40 HGAB biogenic,in-vitro Cc1ccccc1C(=O)N1CCO[C@@]2(CCCCc3ccccc3OCCNC2=O)C1 643557457 WFYZUSVDQMUIBO-VWLOTQADSA-N 422.525 3.128 0 40 HGAB COC1(CNC(=O)c2c(C)oc(C)c2S(N)(=O)=O)CCC(c2ccccc2)CC1 672471553 YIEKEUKKCIZGGC-UHFFFAOYSA-N 420.531 3.017 0 40 HGAB CO[C@@H]1C[C@@H](C(=O)N(C)Cc2c(F)cccc2F)N(C(=O)OCc2ccccc2)C1 1583870763 CHFATOQXMGDBMG-UZLBHIALSA-N 418.440 3.349 0 40 HGAB NC(=O)c1cc(F)ccc1N1CCN(C(=O)CCCc2ccc3c(c2)CCCC3)CC1 1618692542 JHTRHRKINXIAGT-UHFFFAOYSA-N 423.532 3.475 0 40 HGAB Cc1cc(C)n(-c2cc(N3CCN(c4ccc(C(C)(C)C)nn4)CC3)nc(C)n2)n1 1889151300 MZKRBFGENXRXHP-UHFFFAOYSA-N 406.538 3.002 0 40 HGAB COc1cccc2c1OC(C)(C)[C@H]1CC3(CO[C@H]21)CN(C(=O)c1cnc(C)cn1)C3 2037792053 RDDYUZOQCNMPHC-QFBILLFUSA-N 409.486 3.185 0 40 HGAB O=c1c2ccccc2nc(CN2CCN(c3ccccn3)CC2)n1-c1ccc(F)cc1 644245 VZVMXKKACXVABH-UHFFFAOYSA-N 415.472 3.242 0 40 HGAB CCO[P@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1cc(OC)c(OC)c(OC)c1 2371673 QNJGCBSAJXWUHN-PIIWDFAUSA-N 409.419 3.409 0 40 HGAB O=C(c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1)N1CCN2CCC[C@H]2C1 2486598 YDPRVLBFSLWEOG-LBPRGKRZSA-N 421.448 3.397 0 40 HGAB COc1cc(OC)c(C(=O)OCC(=O)Nc2ccc(Br)cc2)cc1OC 3446141 KWMRKEDMBPTRSD-UHFFFAOYSA-N 424.247 3.270 0 40 HGAB COC[C@H](C)NC(=O)c1cnn2c1N[C@@H](c1cccc(OC)c1)C[C@@H]2C(F)(F)F 4223197 BDYRVECIQXJCEC-IUIKQTSFSA-N 412.412 3.317 0 40 HGAB O=C(Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(Cc2ccc(F)cc2)C1)c1ccncc1 4259189 SABVWMRXLZOCQT-PKOBYXMFSA-N 418.472 3.254 0 40 HGAB biogenic,in-vitro Cc1cc(C)nc(SCc2cc(=O)c(OC(=O)COc3ccccc3F)co2)n1 4377331 RJHIUWLWDYJYQC-UHFFFAOYSA-N 416.430 3.462 0 40 HGAB COc1ccccc1NC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@@H]2C1=O 4554317 RBMCLHXVZKWHQE-KOLYYURTSA-N 418.493 3.276 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCCN(C(=O)C(F)(F)F)[C@H]2c2ccccc2)cc1 4778662 GJXBSQNZAUMBMC-QGZVFWFLSA-N 412.433 3.479 0 40 HGAB CCn1c(CSc2ncccn2)nnc1SCC(=O)N1[C@H](C)CCC[C@H]1C 4897746 IASHMVADNSHRLX-ZIAGYGMSSA-N 406.581 3.262 0 40 HGAB O=C(NC[C@H](c1ccco1)N1CCCC1)C1CCN(C(=O)Nc2ccccc2)CC1 5704760 JEVFQJURPBJKJP-HXUWFJFHSA-N 410.518 3.477 0 40 HGAB COc1ccc(CCNC(=O)Cn2c(C(F)(F)F)nc3ccccc32)cc1OC 6314320 YHDISXCKVKHNGH-UHFFFAOYSA-N 407.392 3.431 0 40 HGAB COc1ccc(NC(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1OC 6646524 CRVYNARHWVTYFV-UHFFFAOYSA-N 418.515 3.060 0 40 HGAB CCOc1ccc(OCCSc2nn3c(=O)c(C(C)(C)C)nnc3s2)cc1 6651808 LRIPUXKYQYLDSW-UHFFFAOYSA-N 406.533 3.413 0 40 HGAB O=C(c1cc(-c2cccs2)nn1-c1ccccc1)N1CCN(c2ncccn2)CC1 6946538 PSUMSYZFINBKLK-UHFFFAOYSA-N 416.510 3.353 0 40 HGAB CCOC(=O)[C@H]1CCCN(CC(=O)Nc2nc(-c3ccc(OC)cc3)cs2)C1 7548217 FMHSJMBLKIMQJS-HNNXBMFYSA-N 403.504 3.032 0 40 HGAB C[C@@H]1CCc2ccccc2N1CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 7989766 MQHSPJXVVLDTAH-CQSZACIVSA-N 421.950 3.370 0 40 HGAB Cc1cc(Cl)ccc1NC(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 8268545 CTLZKXRWMHGDEW-UHFFFAOYSA-N 417.918 3.448 0 40 HGAB Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)Nc3ccccc3)c12 8329155 BTOWQEAEFXMEFA-INIZCTEOSA-N 410.499 3.229 0 40 HGAB COC(=O)c1ccc(NC(=O)CCCC(=O)OCC(=O)Nc2cccc(C)c2)cc1 8417559 GUPDUQBIDMUMGP-UHFFFAOYSA-N 412.442 3.072 0 40 HGAB COc1ccc(S(=O)(=O)NC23CC4CC(CC(C4)C2)C3)cc1C(=O)N1CCCC1 8560437 YUMKHUGRAVRPPW-UHFFFAOYSA-N 418.559 3.178 0 40 HGAB COc1ccccc1[C@@H]1CC(c2ccccc2NS(C)(=O)=O)=NN1C(=O)C(C)C 8774879 BVXORKOEHOGJNG-IBGZPJMESA-N 415.515 3.400 0 40 HGAB COc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3ccc(C)c(Cl)c3)C2=O)cc1 8844940 NXEJBDTXXJCNKN-FQEVSTJZSA-N 401.850 3.063 0 40 HGAB O=C(COc1ccccc1P(=O)(O)O)N(Cc1ccccc1)C[C@@H]1CC=CCC1 9183661 XRGNPSFFHAPXQZ-LJQANCHMSA-N 415.426 3.254 0 40 HGAB O=C(CN1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)Nc1ccc(O)cc1 9371597 KJZLZDFVQJXCQL-SNDHGLFQSA-N 424.456 3.223 0 40 HGAB CC[C@@H](NC(=O)CNC(=O)c1ccc2c(c1)OCO2)c1ccc(Br)cc1 9670800 AIWNCYIGKAQVHM-OAHLLOKOSA-N 419.275 3.175 0 40 HGAB Oc1nnc(-c2ccccc2)c2c1Nc1nnnn1[C@H]2c1ccc(Br)cc1 10232532 ULCDUDMXSCSNAV-INIZCTEOSA-N 422.246 3.293 0 40 HGAB COc1cccc(NC(=O)[C@@H](C)N(c2ccc(OC)c(Cl)c2)S(C)(=O)=O)c1 10434134 PGYISXFSEBDHLR-GFCCVEGCSA-N 412.895 3.150 0 40 HGAB Cc1cc(F)ccc1NC(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 11214284 XRPKYEFXBYXZRZ-UHFFFAOYSA-N 422.386 3.446 0 40 HGAB CCc1c(C)nc(-n2nc(C3CC3)cc2NC(=O)c2cc(-c3ccco3)on2)[nH]c1=O 12128313 SKVVBHBLTXGTQT-UHFFFAOYSA-N 420.429 3.204 0 40 HGAB COc1ccc(NC(=O)c2cc(Br)ccc2-n2cnnn2)cc1Cl 12323076 PJTYIXFXTUSTTG-UHFFFAOYSA-N 408.643 3.339 0 40 HGAB COc1cccc(CC(=O)N2CCC[C@H](c3nc4ccc(F)cc4cc3C(N)=O)C2)c1 12329634 XQDQVSWXGWHGNG-INIZCTEOSA-N 421.472 3.430 0 40 HGAB CC(=O)N1Cc2ccccc2OC2(CCN(CC(=O)N3[C@@H](C)CCC[C@@H]3C)CC2)C1 12365543 FBFUYRSMRPPPEN-OALUTQOASA-N 413.562 3.052 0 40 HGAB CC(=O)[C@@H]1[C@H](c2ccc(OCc3ccccc3)cc2)NC(=O)N[C@@]1(O)C(F)(F)F 12377566 CVDMCJKLBADQIE-AOIWGVFYSA-N 408.376 3.076 0 40 HGAB O=C(O)[C@H]1CC=CC[C@@H]1C(=O)Nc1ccccc1S(=O)(=O)Nc1ccccc1 12548390 YCUKIVQMRMHCPU-HOTGVXAUSA-N 400.456 3.093 0 40 HGAB COc1ccc(NS(=O)(=O)c2ccc(C3CCCCC3)cc2)cc1S(N)(=O)=O 12552119 MYARKDROJLHBLN-UHFFFAOYSA-N 424.544 3.191 0 40 HGAB CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)/C=C/c1cc2ccccc2o1 12561785 SAIQCMVKISKXFQ-ZHACJKMWSA-N 419.481 3.380 0 40 HGAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nn3c(C)n[nH]c3=S)ccc2C)c1 12605016 XZYMQHVLOAKMGJ-UHFFFAOYSA-N 417.516 3.051 0 40 HGAB CCOc1cc2c(cc1CNC(=O)c1c(C)nsc1NC(=O)OC)O[C@H](C)C2 12739211 YLDANPINQFBACY-SNVBAGLBSA-N 405.476 3.282 0 40 HGAB CCNc1nnc(SCCC(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)s1 12922142 UTVWPYRAOLUAKY-UHFFFAOYSA-N 409.581 3.247 0 40 HGAB O=C(Nc1nc2cc3c(cc2s1)OCCO3)[C@H]1CCCN(C(=O)c2ccoc2)C1 12952452 OZMVFLXIFAGARC-LBPRGKRZSA-N 413.455 3.151 0 40 HGAB Cc1c(Cl)cccc1NC(=O)CNC(=O)[C@@H]1CCCN(C(=O)c2cccs2)C1 12981538 QEVDMXKSMPVVQQ-CQSZACIVSA-N 419.934 3.317 0 40 HGAB Cc1cc(OCC(=O)N2CCCc3cc(S(=O)(=O)N(C)C)ccc32)ccc1Cl 13001578 DSNBCPUADWLJQK-UHFFFAOYSA-N 422.934 3.257 0 40 HGAB CSCC[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 13018931 XQZSCXBMENBFQC-YJBOKZPZSA-N 414.527 3.187 0 40 HGAB Cc1c(CC(=O)N2CCc3nc[nH]c3C2)c(=O)oc2cc3c(cc12)CCC(C)(C)O3 13570297 RSUBVBCBSXKOEC-UHFFFAOYSA-N 407.470 3.056 0 40 HGAB biogenic CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@@H](C)CCc2ccccc2)ccc1OC 13581486 RCBKFCDPBTTYSZ-KRWDZBQOSA-N 418.559 3.477 0 40 HGAB COc1ccc(OC)c(-c2ccc(N3CCN(C(=O)c4ccccc4F)CC3)nn2)c1 13659152 GGLXOSKJASASMS-UHFFFAOYSA-N 422.460 3.262 0 40 HGAB CCOC(=O)c1ccc(NC(=O)CN(c2ccc(CC)cc2)S(C)(=O)=O)c(C)c1 13669878 NFEABXSAXAOVTL-UHFFFAOYSA-N 418.515 3.139 0 40 HGAB CCCCNC(=O)c1ccccc1NC(=O)CCCN1C(=O)c2ccccc2C1=O 13686864 WSCOIZAFXXKRDH-UHFFFAOYSA-N 407.470 3.231 0 40 HGAB CCOC(=O)C1=C(N)Oc2c(c(=O)oc3ccccc23)[C@H]1c1ccc(OC)c(OC)c1 14162600 OZZHDUUIOMOYRU-QGZVFWFLSA-N 423.421 3.068 0 40 HGAB CCOC(=O)C1=C(COC(=O)c2ccccc2)N(C)C(=O)N[C@H]1c1ccc(OC)cc1 15106325 VAGIAQUIQFYWAE-FQEVSTJZSA-N 424.453 3.066 0 40 HGAB O=C(NCc1ccc2c(c1)OCO2)[C@@H]1CCCN1C(=O)Nc1ccc(Cl)cc1 15936113 YGIZEIIIMJRRQY-INIZCTEOSA-N 401.850 3.381 0 40 HGAB O=C(CN(C(=O)c1csnn1)c1ccc(Cl)cc1)NCCc1ccccc1 15936144 NSBDDCPIDODDCC-UHFFFAOYSA-N 400.891 3.197 0 40 HGAB CC(=O)NC12C[C@H]3C[C@@H](C1)CC(C(=O)O[C@H](C)C(=O)Nc1cc(F)ccc1F)(C3)C2 16826867 MTTIZZHSRNOKNW-AGGFMBIDSA-N 420.456 3.310 0 40 HGAB Cc1cccc(NC(=O)c2cn(C)c3c(=O)n(-c4ccc(Cl)cc4)c(=O)[nH]c23)c1 17135402 CUJLWQRFBNUBNK-UHFFFAOYSA-N 408.845 3.232 0 40 HGAB c1ccc(-n2ncc3c(Nc4ccc5c(c4)OCO5)nc(N4CCOCC4)nc32)cc1 17200410 FVYGMSKSMHXSQZ-UHFFFAOYSA-N 416.441 3.124 0 40 HGAB C[C@H](Oc1ccc(F)cc1)C(=O)N1CC[C@H](c2cc(O)nc(-c3ccccn3)n2)C1 19077628 PQQNKYRHBYOVDM-GJZGRUSLSA-N 408.433 3.167 0 40 HGAB CCn1cc(S(=O)(=O)N2CCC[C@H]2c2ccnc3cc(C(C)(C)C)nn23)c(C)n1 19524638 VASSIMXYBPJELI-HNNXBMFYSA-N 416.551 3.077 0 40 HGAB COc1ccccc1NC(=O)c1cnc([C@@H]2CCCCN2C(=O)c2cc[nH]n2)nc1C 19753476 UUHLVCFIGFPUSA-SFHVURJKSA-N 420.473 3.136 0 40 HGAB CCOC(=O)[C@](NC(=O)c1ccc(OC)cc1)(Nc1cc(C)ccn1)C(F)(F)F 19939188 RGPSDFVCNUGGQQ-GOSISDBHSA-N 411.380 3.062 0 40 HGAB CCOc1ccc([C@@H](C)NC(=O)CN(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1 20037030 PLFYYUZQEIDAGH-QGZVFWFLSA-N 404.532 3.346 0 40 HGAB O=S(=O)(Cc1ccc(Br)cc1)NCc1ccccc1-n1ccnc1 20038777 MRFSRBIGFJBCIF-UHFFFAOYSA-N 406.305 3.254 0 40 HGAB O=C(NCCCn1ccnc1)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl 20462153 BISJWQDORLNSIS-UHFFFAOYSA-N 418.906 3.157 0 40 HGAB O=C(Nc1nnc(SCc2cc(=O)n3ccsc3n2)s1)C1CCCCC1 20984087 XGTYMRUWJBSTEV-UHFFFAOYSA-N 407.546 3.419 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(CCC(=O)NCC2(c3ccccc3)CC2)cc1 21524797 FYEATRLASBGDNJ-UHFFFAOYSA-N 414.571 3.498 0 40 HGAB CN1CCN([C@H](CNC(=O)COc2ccc3ccccc3c2)c2ccsc2)CC1 22453907 LVUXSKBPRYUSEJ-JOCHJYFZSA-N 409.555 3.385 0 40 HGAB CN(C)[C@@H](CNC(=O)[C@@H]1CCCN(C(=O)c2cccs2)C1)c1cccc(F)c1 23081682 MYXRTOYOYHHIIR-AEFFLSMTSA-N 403.523 3.159 0 40 HGAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)NCc1ccccc1CN1CCOCC1 23956390 GYOLVAIBJZHSEB-DEOSSOPVSA-N 419.525 3.099 0 40 HGAB Cc1nc(NC(=O)[C@H](C)NS(=O)(=O)c2ccccc2C(F)(F)F)sc1C 29582384 PWLRXNFHWQHOMB-VIFPVBQESA-N 407.439 3.084 0 40 HGAB C[C@H](NC(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O)c1ccc(F)cc1 30867584 QBJQDHPSHQLEKX-NSHDSACASA-N 402.850 3.262 0 40 HGAB O=C([C@@H]1CC(=O)N(c2ccccc2F)C1)N1CCC(O)(c2ccc(Cl)cc2)CC1 32106205 TXQOSDZYVFNBPV-OAHLLOKOSA-N 416.880 3.342 0 40 HGAB O=C(Nc1nn(Cc2ccccc2F)cc1Br)[C@H]1CC=CC[C@H]1C(=O)O 32610344 HAZVJNGWLOWIKW-QWHCGFSZSA-N 422.254 3.439 0 40 HGAB COc1ccc(OC(=O)c2nc(S(=O)(=O)Cc3ccccc3)ncc2Cl)cc1 32623780 MXBQMBFYGZEKSX-UHFFFAOYSA-N 418.858 3.332 0 40 HGAB Cc1cccc(-c2nnc(SCC(=O)Nc3c(C)cc(C)cc3C)n2CC(N)=O)c1 32741933 SWFRGWWCFMEEMZ-UHFFFAOYSA-N 423.542 3.395 0 40 HGAB CN(Cc1cccc(Cl)c1Cl)S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 32755526 YDFOUUJZTQCBOF-UHFFFAOYSA-N 408.328 3.218 0 40 HGAB COc1ccccc1[C@H](NC(=O)N[C@@H](C)c1ccc2c(c1)OCO2)c1nccn1C 32802541 HKWAXMIYQIZRFV-XOBRGWDASA-N 408.458 3.307 0 40 HGAB CC(=O)Nc1ccc(CNC(=O)[C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)cc1 32901154 NTCFCRLNSLDGFV-HNNXBMFYSA-N 419.403 3.333 0 40 HGAB O=C(Cn1nc(C(F)F)c2c1CCC2)N1CCN(C2C3CC4CC(C3)CC2C4)CC1 36613903 BULNQCPWQKIXLO-UHFFFAOYSA-N 418.532 3.278 0 40 HGAB CCCCOC(=O)c1ccc(-n2ccc3c(cnc4nc(SCC)nn43)c2=O)cc1 38783687 PKGWUHGHNOCLPK-UHFFFAOYSA-N 423.498 3.497 0 40 HGAB Cc1ccc(CNC(=O)C2CCN(C(=O)[C@@H]3COc4ccccc4C3)CC2)cc1F 40113983 SYOUGGXQQMNITO-FQEVSTJZSA-N 410.489 3.240 0 40 HGAB CC(C)CC(=O)NC(=S)N1CCN(c2c(F)c(F)c(Cl)c(F)c2F)CC1 57316695 MISQPNZBOHUIAU-UHFFFAOYSA-N 411.852 3.466 0 40 HGAB O=S(=O)(N[C@H]1Cc2ccccc2[C@@H]1NCc1ccc2c(c1)OCO2)c1ccccc1 58166940 AMPRDAWANTZJSG-REWPJTCUSA-N 422.506 3.149 0 40 HGAB C[C@H](CNC(=O)NC[C@H]1CCN(c2ccc(F)cc2)C1)N1CCc2ccccc2C1 58415928 JBJMMQAHGMGAEP-RTBURBONSA-N 410.537 3.398 0 40 HGAB COc1ccc([C@@H](NC(=O)Cc2c(C)nc(-c3cccnc3)[nH]c2=O)C(C)C)cc1 59854924 YPCJDWQRBVTNOA-NRFANRHFSA-N 406.486 3.205 0 40 HGAB COc1ccc(CNc2cncc(-c3nncn3C)c2)cc1OCc1cccnc1 89761955 PSOGBWUEDJJDIN-UHFFFAOYSA-N 402.458 3.472 0 40 HGAB Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc(S(C)(=O)=O)c(C(F)F)c3)cn2)n1 95463538 XYIDIKKYYYKBOZ-UHFFFAOYSA-N 420.441 3.478 0 40 HGAB O=C(Nc1cncnc1N1CCCC1)c1cccc(CS(=O)(=O)c2ccccc2)c1 95997589 NOBBBPPTMZDCOH-UHFFFAOYSA-N 422.510 3.303 0 40 HGAB COC(=O)c1ccc2[nH]c(CO[C@H]3CN(Cc4ccccc4OC)C[C@H]3F)nc2c1 96112376 MNXDGDYPUCKDKT-UZLBHIALSA-N 413.449 3.097 0 40 HGAB biogenic,in-vitro CC(C)(C)c1cc(C(=O)N2CCN(Cc3ccc(Br)s3)CC2)[nH]n1 97358362 YINPFDKRCXJFFU-UHFFFAOYSA-N 411.369 3.489 0 40 HGAB COc1ccc(-c2cc(N3CCN(C(=O)c4ccc(OC)c(F)c4)CC3)[nH]n2)cc1 98212544 KNSDBOUNYHCOCX-UHFFFAOYSA-N 410.449 3.195 0 40 HGAB CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCCC3)C2=O)ccc1OC 205816214 GCTIRKQURHTLBM-SFQUDFHCSA-N 404.488 3.143 0 40 HGAB CCOc1cccc(CNC(=O)[C@H](CC)N(c2cccc(C)c2)S(C)(=O)=O)c1 220520416 QZJSAKBALJBJCN-FQEVSTJZSA-N 404.532 3.255 0 40 HGAB CCOC(=O)Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)OCC)cc2)cc1 222999452 ZCWMJZFKVQMLQH-UHFFFAOYSA-N 406.460 3.161 0 40 HGAB Cc1cc(C(=O)NC[C@H]2CCCO2)ccc1NS(=O)(=O)c1ccc(Cl)cc1 224004535 ZAOUXNJQYYMLSL-MRXNPFEDSA-N 408.907 3.358 0 40 HGAB CN(c1ccc(C(=O)NCc2ccccn2)c(Cl)c1)S(=O)(=O)c1ccccc1 224231671 LHVNMJJMULLXNF-UHFFFAOYSA-N 415.902 3.490 0 40 HGAB O=C(Cc1cccc(Br)c1)NCc1cccc(CN2CCOCC2)c1 224756667 ATPBACPHNIQGAK-UHFFFAOYSA-N 403.320 3.140 0 40 HGAB COCCCNC(=S)Nc1nc(N2C[C@H](C)C[C@@H](C)C2)cc(C(F)(F)F)n1 225902355 NAHKSKYHOVHSFV-VXGBXAGGSA-N 405.490 3.301 0 40 HGAB Cc1ccc(S(=O)(=O)N(C)c2ccc(CC(=O)NCc3cccnc3)cc2)cc1 225983652 VTCAZSZCUPQULJ-UHFFFAOYSA-N 409.511 3.074 0 40 HGAB CCN(CC)C(=O)CCc1c(C)nc2cc([C@H]3CCCN3C(=O)C3CC3)nn2c1C 257312020 UMCJRQZYHWLCFY-HXUWFJFHSA-N 411.550 3.221 0 40 HGAB COc1ccccc1[C@H](C)NC(=O)[C@H](C)N(c1ccc(Cl)cc1)S(C)(=O)=O 260741128 GMYWASCOCSQCFD-KBPBESRZSA-N 410.923 3.381 0 40 HGAB Cc1nc(Cn2ccnc2[C@H]2CN(C(=O)c3cnccn3)Cc3ccccc32)cs1 306140364 UREWXBRKBRXWPF-IBGZPJMESA-N 416.510 3.274 0 40 HGAB CCNS(=O)(=O)c1cc(C(=O)Nc2ccc(OC)c(Cl)c2)ccc1OCC 408699876 ZVQWQJLWRGYVCE-UHFFFAOYSA-N 412.895 3.298 0 40 HGAB COc1ccc(CC(=O)N2N=C3CC[C@H](C)C[C@H]3[C@@]2(O)C(F)(F)F)cc1OC 409055394 BSNCGDZTTLNSFR-WHWRDJHUSA-N 400.397 3.132 0 40 HGAB COc1ccc(NC(=O)[C@@H](C)N(c2ccc(C)c(C)c2)S(C)(=O)=O)c(OC)c1 409381280 LGIGTWLHEBFXCF-OAHLLOKOSA-N 406.504 3.114 0 40 HGAB COc1cccnc1N(C)C(=O)CCCCCC(=O)N(C)c1ncccc1OC 511207718 OUBKFOYGKWRKIM-UHFFFAOYSA-N 400.479 3.070 0 40 HGAB O=C(CSCC(=O)N[C@@H]1C[C@@H]1Cc1ccccc1)N[C@H]1C[C@H]1Cc1ccccc1 534527748 QYUUSKJCZAPHFQ-ZDNVTZCJSA-N 408.567 3.214 0 40 HGAB Cc1c(C(=O)NCc2cnc3nccn3c2)nnn1-c1ccc(-c2ccccc2)cc1 570975843 USGVICZTXDIALV-UHFFFAOYSA-N 409.453 3.215 0 40 HGAB O=C(Nc1ccccc1)c1nnc2n1CC[C@@]1(CC2)CCN(C(=O)c2ccccc2)C1 585107302 SQPQLLZZJOXJLI-XMMPIXPASA-N 415.497 3.399 0 40 HGAB O=C(Nc1ccc(Br)cn1)C1CCN(C(=O)[C@@H]2Cc3ccccc32)CC1 607055059 NWJWUGSSJKRGKX-QGZVFWFLSA-N 414.303 3.361 0 40 HGAB Cn1cc(C(=O)N2CCN(c3ncnc4ccsc34)CC2)c(C2CCCCC2)n1 607529408 DEVXSQGZSCQUNV-UHFFFAOYSA-N 410.547 3.435 0 40 HGAB C=CC(=O)Nc1ccc(C(=O)N2CCC[C@@H](c3ncc(Br)cn3)C2)cc1 1595582035 AJMOWQUUTSJDKQ-CQSZACIVSA-N 415.291 3.383 0 40 HGAB CCOC(=O)c1nc(-c2cc(Cl)ccc2OC)nn1CCNC(=O)OC(C)(C)C 1857794366 OVSUJBLNHXMYBJ-UHFFFAOYSA-N 424.885 3.309 0 40 HGAB CN(C)C(=O)c1sc2nc([C@]3(C)CCCN(C4CCOCC4)C3)ccc2c1N 2037666367 RNQYQYUMISSMAV-OAQYLSRUSA-N 402.564 3.113 0 40 HGAB O=C(CSc1nnc2c(n1)[nH]c1ccc(F)cc12)Nc1ccc2c(c1)OCCO2 908067 SJDGILGAXASGRZ-UHFFFAOYSA-N 411.418 3.147 0 40 HGAB COc1ccc(-n2c(SCC(N)=O)nnc2-c2ccccc2Br)cc1 916987 NXZSEOHMYGLUOL-UHFFFAOYSA-N 419.304 3.283 0 40 HGAB COc1ccc(C(C)=O)cc1CN1C(=O)N[C@](C)(c2ccc(OC(F)F)cc2)C1=O 3464489 VGURFWFPJORNPK-OAQYLSRUSA-N 418.396 3.466 0 40 HGAB COC(=O)c1ccc(COC(=O)c2nn(-c3ccccc3)c(=O)c3ccccc23)o1 3468885 MCDGDGPHZXTSGL-UHFFFAOYSA-N 404.378 3.122 0 40 HGAB NC(=O)[C@H](CCC(=O)c1cccs1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 4040496 GBWSCUCBRGDEKH-AWEZNQCLSA-N 406.312 3.346 0 40 HGAB CCC(=O)NC(Nc1sc2c(c1C(N)=O)CCC2)(C(F)(F)F)C(F)(F)F 4177323 KNMNSGLVJXFYMG-UHFFFAOYSA-N 403.348 3.095 0 40 HGAB Cc1ccccc1NC(=O)Cc1nnc(SCC(=O)N[C@@H]2CCCC[C@H]2C)n1C 4816136 NOWACPMWPNFQHC-NVXWUHKLSA-N 415.563 3.092 0 40 HGAB COc1ccc(NC(=O)CN2CCC(n3nnc4cc(C)ccc43)CC2)c(OC)c1 4895395 GIYXFQLCYGRWMQ-UHFFFAOYSA-N 409.490 3.033 0 40 HGAB CCc1nnsc1C(=O)Nc1sc2c(c1C(=O)NC[C@H]1CCCO1)CCCC2 4941919 RMWQKAMXCWSHIK-LLVKDONJSA-N 420.560 3.202 0 40 HGAB CCOc1ccc(C2C(C(=O)OC)=CN(C(C)C)C=C2C(=O)OC)cc1OCC 4986994 OPYWRPGWJHSXJD-UHFFFAOYSA-N 403.475 3.405 0 40 HGAB N[C@H](CSC(c1ccccc1)(c1ccc(CO)cc1)c1ccc(CO)cc1)C(=O)O 5052724 DMUWUCHXRLLLKO-JOCHJYFZSA-N 423.534 3.108 0 40 HGAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2cc(OC)ccc2OC)c1C 5082041 MQOHHMKEXLPOLP-ZDUSSCGKSA-N 403.431 3.254 0 40 HGAB C[C@@H]1CCCC[C@@H]1NC(=O)Cn1c(CC(=O)NCc2ccco2)nc2ccccc21 5264762 PDOJSWZUYWALLO-AEFFLSMTSA-N 408.502 3.183 0 40 HGAB CCCCN(C)S(=O)(=O)c1ccc(C(=O)Nc2ncnc3sccc23)cc1 5299477 MSYIEKKOTWUXAZ-UHFFFAOYSA-N 404.517 3.364 0 40 HGAB O=C(CCCCCn1cnc2ccccc2c1=O)N1CCN(c2ccc(F)cc2)CC1 5324675 RCBCBGROZVFDHZ-UHFFFAOYSA-N 422.504 3.445 0 40 HGAB CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)O[C@@H](C)C(=O)c2ccc(F)cc2)cc1 5915209 JPXNKZWBHGLCDO-KGLIPLIRSA-N 407.463 3.331 0 40 HGAB C[C@@H](NC(=O)CSc1nncn1-c1ccccc1F)c1ccc2c(c1)OCO2 6129503 RMPCLFWYNIEILA-GFCCVEGCSA-N 400.435 3.105 0 40 HGAB CCCOC(=O)c1ccc(NC(=O)COC(=O)c2ccc(OC)c(OC)c2)cc1 6607143 UIVLSTPRLOGPAX-UHFFFAOYSA-N 401.415 3.066 0 40 HGAB Cc1cccc(C)c1OCCOC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 6627423 MKUZLVRUHRFYDH-UHFFFAOYSA-N 403.500 3.324 0 40 HGAB CCc1nnc(NC(=O)/C=C/c2ccc(S(=O)(=O)N3CCCCCC3)cc2)s1 6634112 KVMOAVRVAWORGV-FMIVXFBMSA-N 420.560 3.317 0 40 HGAB CCOc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCCO)cc1OC 6657101 NBHCTALJHRSKSZ-NRFANRHFSA-N 423.465 3.436 0 40 HGAB COc1ccc(N2CCc3c(-n4ccc(N5CCNC5=O)n4)cc(C)nc32)c(C)c1 6716350 JFHJGXQFESYQGY-UHFFFAOYSA-N 404.474 3.117 0 40 HGAB investigational COc1ccc(S(N)(=O)=O)cc1C(=O)NCCc1c(C)cc(C(C)(C)C)cc1C 8032162 CCXZGHZLQSEIGT-UHFFFAOYSA-N 418.559 3.229 0 40 HGAB Cc1nn(CC(=O)c2cc(C)n(C3CC3)c2C)c(C)c1S(=O)(=O)N1CCCCC1 9155661 GWJXDYIYNQEMBH-UHFFFAOYSA-N 418.563 3.311 0 40 HGAB O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1 9516011 MFYFBSYUJVGXRT-UHFFFAOYSA-N 405.454 3.316 0 40 HGAB COc1cccc2c(C)nc(Nc3nc(CSc4nccc(C)n4)cc(=O)[nH]3)nc12 9939128 KHRPHWJZGYAJPS-UHFFFAOYSA-N 421.486 3.164 0 40 HGAB Cc1cc(I)cc(C)c1NC(=O)COC(=O)c1cccnc1 10040762 UPVVOMAESNBVCQ-UHFFFAOYSA-N 410.211 3.099 0 40 HGAB CC[C@H](NC(=O)CNC(=O)c1ccc(N2CCCC2=O)cc1)c1ccc(Cl)cc1 10423500 DYOMPLVJXUVUTI-IBGZPJMESA-N 413.905 3.464 0 40 HGAB C[C@H](C(=O)Nc1cccc(NC(=O)c2ccco2)c1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 11361502 CPCCSNBQINACSN-COXVUDFISA-N 409.442 3.034 0 40 HGAB CC(=O)c1c(C)n(S(=O)(=O)c2ccc(Cl)cc2)c2ccc(O)c(C(=O)O)c12 11691640 HUNGJXLGSLGGGH-UHFFFAOYSA-N 407.831 3.447 0 40 HGAB Cc1cc(-c2cnc(N3CCCC3)nc2C2CCN(Cc3nccn3C)CC2)on1 12088086 OVDTWSXYPACWIX-UHFFFAOYSA-N 407.522 3.153 0 40 HGAB COC(=O)c1ccc(NC(=O)c2ccc(N3CCCCS3(=O)=O)cc2Cl)cc1 12194822 PSUHPGMANICXTC-UHFFFAOYSA-N 422.890 3.309 0 40 HGAB COc1ccc(Cl)cc1NC(=O)CN(C)Cc1ccccc1N1CCOCC1 12522934 RAJCCRQYBCECMA-UHFFFAOYSA-N 403.910 3.256 0 40 HGAB C[C@@H](CNC(=O)CNC(=O)Cc1ccccc1)c1nc2ccccc2n1C(F)F 12581815 AYVIXZVHEGEVGE-AWEZNQCLSA-N 400.429 3.010 0 40 HGAB COc1ccc(-c2nn(CN3C[C@H](C)O[C@H](C)C3)c(=S)n2C[C@@H]2CCCO2)cc1 12604230 GDHNBGQRAPLEDW-FCEWJHQRSA-N 418.563 3.335 0 40 HGAB COc1ccc(C(=O)N(C)Cc2ccc(SC)cc2)cc1S(=O)(=O)NC1CC1 12734356 GOEWEUICOGFVTL-UHFFFAOYSA-N 420.556 3.130 0 40 HGAB O=C(Nc1ccc(I)cc1)[C@H]1CCCN(C(=O)c2ccoc2)C1 13012885 KKZCILVAHYPPGU-LBPRGKRZSA-N 424.238 3.375 0 40 HGAB COc1cc2c(cc1OC)[C@H](c1ccccc1)N(CC(=O)Nc1cc(C)nn1C)CC2 15593995 YMGSUIHAVXIWEJ-DEOSSOPVSA-N 420.513 3.332 0 40 HGAB O=C(CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 16044860 YVIHJDKZQNSBST-STQMWFEESA-N 417.437 3.368 0 40 HGAB CC(C)OC(=O)c1cccc(-c2nnn(Cc3cc(Cl)cc4c3OCOC4)n2)c1 18664745 CSXALKNPYACTGB-UHFFFAOYSA-N 414.849 3.474 0 40 HGAB Cc1ccc(C2(CN3CCC(NC(=O)CSc4nnc(C)o4)CC3)CC2)cc1 19208377 SXITVPJMFVPSAN-UHFFFAOYSA-N 400.548 3.091 0 40 HGAB O=C(Cc1csc(N2CCCC2=O)n1)OCc1nc(-c2ccc(Cl)cc2)no1 19476986 XLPWPYRTHKRCLB-UHFFFAOYSA-N 418.862 3.259 0 40 HGAB COCc1ccc(C(=O)N2CCCC[C@H]2c2nc3c(c(N(C)C)n2)CN(C)CC3)cc1 19710283 MDCPPCNGHWLZRR-NRFANRHFSA-N 423.561 3.044 0 40 HGAB COCCCn1c(=O)[nH]c(=O)c2c3c(cnc21)C(=O)C[C@H](c1ccc(C(C)C)cc1)C3 19821122 HKRJAEXXGPBZMH-QGZVFWFLSA-N 421.497 3.157 0 40 HGAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2ccc(F)c(F)c2F)cc1 20013915 AKJDIVDHNPPZHS-UHFFFAOYSA-N 416.421 3.152 0 40 HGAB O=C(NCc1ccccn1)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl 20111607 ULLFXRUOKHKROW-UHFFFAOYSA-N 401.875 3.466 0 40 HGAB O=S(=O)(NCc1ccc(CN2CCOCC2)cc1)c1cccc(C(F)(F)F)c1 22357627 LAYGEWQERJCWNO-UHFFFAOYSA-N 414.449 3.016 0 40 HGAB COc1ccc(-c2nc(CN3C(=O)N[C@H](Cc4c[nH]c5ccccc45)C3=O)co2)cc1 22841739 ABXQPSRKVRHXAK-HXUWFJFHSA-N 416.437 3.495 0 40 HGAB CCCNC(=O)Cn1nc2c(c1NC(=O)C13CC4CC(CC(C4)C1)C3)CSC2 23138738 RAJVTPCTKDSQHP-UHFFFAOYSA-N 402.564 3.311 0 40 HGAB O=C(c1cnn(Cc2ccccc2)c1)N1CCN(Cc2nc3ccccc3s2)CC1 23955716 VAEWLWQENFFLFU-UHFFFAOYSA-N 417.538 3.499 0 40 HGAB Cc1cc(Br)ccc1SCC(=O)Nc1cccc(-n2cnnn2)c1 24470535 LFPDEUHUJNIIHN-UHFFFAOYSA-N 404.293 3.464 0 40 HGAB O=C(CCSc1ccc(F)c(F)c1)NCc1ccc(C(=O)N2CCOCC2)cc1 25558263 WZPNNXMPYUCVOV-UHFFFAOYSA-N 420.481 3.236 0 40 HGAB COc1ccc(N2C[C@@](O)(c3ccc(-c4ccccc4)cc3)[N+]3=C2COCC3)cc1 26441654 KTQDDWWHZIUGTH-RUZDIDTESA-N 401.486 3.469 0 40 HGAB COc1cc(S(=O)(=O)N[C@H]2CCCC[C@@H]2C)ccc1I 27530687 JDYUTEXKOSCGSI-GWCFXTLKSA-N 409.289 3.157 0 40 HGAB O=C(Nc1nnc(CCc2ccccc2)s1)[C@@H]1CC(=O)N(Cc2ccccc2)C1 31813307 XTSCYNXADVEDHU-GOSISDBHSA-N 406.511 3.311 0 40 HGAB CCn1cc(-c2nnc(SCC(=O)Nc3ccc(OC)c(Cl)c3)n2C)cn1 32604064 ZNIVRYZOPFXTOV-UHFFFAOYSA-N 406.899 3.091 0 40 HGAB CN(C)[C@H](CNC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1)c1cccc(F)c1 32795270 LPUZKUBQUBNCIT-HNAYVOBHSA-N 403.885 3.251 0 40 HGAB O=C1N=C(O)[C@]2(Cc3cccc(F)c3N3CCSC[C@H]32)C(=O)N1c1ccccc1 33429121 QAAVQFGXSNZOPE-HRAATJIYSA-N 411.458 3.413 0 40 HGAB COc1ccc([C@@H]2[C@@H](C(=O)Nc3ccccc3C)[C@H](C)Nc3ncnn32)cc1OC 36701577 XUFOALZMZUVPPH-PNHOKKKMSA-N 407.474 3.262 0 40 HGAB CN1CCN(C(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)[C@H](c2ccccc2)C1 39983366 WGCJKTBILXGTKH-INIZCTEOSA-N 413.827 3.036 0 40 HGAB Cn1ccnc1[C@H](NC(=O)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1)c1ccccc1 40015858 XZWVYAIDXLHMQX-PZJWPPBQSA-N 420.488 3.317 0 40 HGAB CS(=O)(=O)c1ccc(C(=O)Nc2ccc(S(=O)(=O)C3CCCC3)cc2)cc1 40074352 RQKVFDZCEQMHFQ-UHFFFAOYSA-N 407.513 3.059 0 40 HGAB CCOc1ccccc1N1CCN(C(=O)c2ccccc2N(C)C(=O)C2CC2)CC1 40143142 UQONYPRRDXAOMQ-UHFFFAOYSA-N 407.514 3.421 0 40 HGAB CCOC(=O)N1CCC(C(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)CC1 40145478 JZKGNWHBGBMUMU-GJZGRUSLSA-N 407.486 3.246 0 40 HGAB O=C(CN1C(=O)c2ccccc2S1(=O)=O)Nc1ccc2c(c1)oc1ccccc12 42787477 MLANMCPSHCNJDY-UHFFFAOYSA-N 406.419 3.369 0 40 HGAB COc1cccc(C[C@H](C(=O)N(C)Cc2ccc([C@@H]3C[C@@H]3C)o2)n2nnnc2C)c1 48264842 MXDUKJKTGYEGMU-VHKYSDTDSA-N 409.490 3.149 0 40 HGAB COCCn1c(SCC(=O)Nc2cc(F)ccc2F)nc2ccsc2c1=O 57425804 ZJCSBVLOERIYSY-UHFFFAOYSA-N 411.455 3.113 0 40 HGAB COc1cc(-c2noc(-c3cn(C)c4ccc(F)cc4c3=O)n2)cc(OC)c1OC 64961023 VIEYWIKFHWVCFA-UHFFFAOYSA-N 411.389 3.420 0 40 HGAB CCn1c(SCC(=O)NCc2ccc(F)cc2Cl)nc2cc(C)[nH]c2c1=O 67235840 YMIBLWROVIJDBG-UHFFFAOYSA-N 408.886 3.254 0 40 HGAB C[C@H]1CCC[C@@H](C)N1C(=O)CN(c1cccc(Br)c1)S(C)(=O)=O 78440834 LJHASQBZAZXGNX-BETUJISGSA-N 403.342 3.005 0 40 HGAB CCCNC(=O)C1(NCC(=O)N[C@@H](c2ccccc2)c2nccs2)CCCCC1 79023258 RFCLNRXSTVORPS-IBGZPJMESA-N 414.575 3.167 0 40 HGAB O=C(CC1(Cn2cnnn2)CCCCC1)N1CCN(c2ccc(Cl)cc2)CC1 79486094 RLJMLWBTNUYWSH-UHFFFAOYSA-N 402.930 3.016 0 40 HGAB COC(=O)C1(NC(=O)c2ccc(OCc3c(C)noc3C)cc2)CCSCC1 95444087 GJDIQSBERJMBHM-UHFFFAOYSA-N 404.488 3.039 0 40 HGAB CC(C)(CCO)NC(=O)/C=C/c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1 95451250 YKSDWAFVEPUTKN-FMIVXFBMSA-N 422.934 3.431 0 40 HGAB O=C1N[C@]2(CCc3ccccc32)C(=O)N1CC(=O)N1CCC[C@@H]1/C=C/c1ccccc1 96002278 XCGFOHSGNXOEDO-LOMCFWSPSA-N 415.493 3.084 0 40 HGAB CNC(=O)C[C@@H]1CC2(CCN(C(=O)COc3ccccc3)CC2)Oc2ccccc21 96079962 LEQSUIOYEQTQIS-GOSISDBHSA-N 408.498 3.129 0 40 HGAB C[C@H](CCNS(=O)(=O)c1c(Cl)cc(F)cc1Br)CC(=O)O 97165137 UTSUILWOXFKFNY-SSDOTTSWSA-N 402.669 3.021 0 40 HGAB CCOc1ccc([C@H]2C3=C(O)c4ccccc4C3=Nc3c2c(=O)n(C)c(=O)n3C)cc1 100744704 QPCMKGGXRUVGDR-KRWDZBQOSA-N 415.449 3.032 0 40 HGAB biogenic Cc1ccc(-c2noc(CN3N=N[C@H]4C(=O)N(c5ccc(C)c(C)c5)C(=O)[C@H]43)n2)cc1 101277563 VATKVPBORYPHSU-MOPGFXCFSA-N 416.441 3.155 0 40 HGAB CC(=O)NC12C[C@@H]3C[C@@H](C1)CC(C(=O)NCC(=O)Nc1c(C)cc(C)cc1C)(C3)C2 101468694 VRUIEHZVXAQUHS-UOYQGRGCSA-N 411.546 3.142 0 40 HGAB CCc1c(C)c2ccc(OCC(=O)NC[C@H]3CC[C@H](C(=O)O)CC3)c(C)c2oc1=O 101900560 WQXKOBYLQWJFPY-IYBDPMFKSA-N 415.486 3.358 0 40 HGAB CC[C@H](Oc1cc(Cl)ccc1Cl)C(=O)NN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 104562502 GXXDUYNDEJDOHA-VSGLDEAGSA-N 411.285 3.213 0 40 HGAB COc1ccc(-c2nn([C@H]3CC(=O)[C@H]4OC[C@H]3O4)c(=S)n2-c2ccccc2)cc1 108207576 CCQGEQHRADNQBZ-HQRMLTQVSA-N 409.467 3.334 0 40 HGAB CCOCCCNc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2)cc1C(=O)O 217612503 VRCVVZZJVRNYSH-OAHLLOKOSA-N 406.504 3.263 0 40 HGAB CC[C@H](C(=O)N1CCCc2ccccc21)N(c1cccc(OC)c1)S(C)(=O)=O 220625220 RBSUQIRQEYOVPR-LJQANCHMSA-N 402.516 3.219 0 40 HGAB Cc1cc(C)c([C@H](C)NC(=O)[C@@H]2CN(S(C)(=O)=O)c3ccccc3O2)cc1C 223461790 MPJHRCJUAOFGQW-JXFKEZNVSA-N 402.516 3.016 0 40 HGAB Cc1ccc(N(CC(=O)NCCOc2ccccc2)S(=O)(=O)c2ccccc2)cc1 223464256 KLKSGYROAJVNGQ-UHFFFAOYSA-N 424.522 3.386 0 40 HGAB Cc1cccc(N(CC(=O)NCCOc2ccccc2C(C)C)S(C)(=O)=O)c1C 223758680 BBRVBSIWIUNLGT-UHFFFAOYSA-N 418.559 3.388 0 40 HGAB COCc1cccc(NC(=O)C2CCN(S(=O)(=O)Cc3cccc(C)c3)CC2)c1 224350228 ACPWDLFKHXDOKG-UHFFFAOYSA-N 416.543 3.322 0 40 HGAB CNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)Cc1ccccc1C 225469952 CIHXPBPMGMZKDS-HNNXBMFYSA-N 403.320 3.463 0 40 HGAB COC(=O)c1ccc(C)c(S(=O)(=O)Nc2nnc(SCC(C)C)s2)c1 225646480 MDGVKTVLQXIWTI-UHFFFAOYSA-N 401.535 3.182 0 40 HGAB Cc1ccc2c(c1)OC1(CCN(S(=O)(=O)Cc3ccccc3F)CC1)CC2=O 225816967 BBCZPYDRRSPRLN-UHFFFAOYSA-N 403.475 3.464 0 40 HGAB CCSc1nnc(NC(=O)[C@H](C)N(c2cc(C)cc(C)c2)S(C)(=O)=O)s1 225868606 UWBJZRVLQVKENZ-LBPRGKRZSA-N 414.578 3.060 0 40 HGAB Cc1ccc(S(=O)(=O)c2ccc(C(=O)C[C@@]3(O)C(=O)Nc4ccccc43)cc2)cc1 226756773 ZXAKHAWHSYHBQZ-QHCPKHFHSA-N 421.474 3.241 0 40 HGAB O=S(=O)(c1ccc(F)cc1)N1CCC[C@@]2(CC1)CN(Cc1cccs1)CCO2 306130859 JRISUMZOPUEWMG-HXUWFJFHSA-N 424.563 3.333 0 40 HGAB COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC(C(=O)N2CCC(C)CC2)CC1 408700831 MPWVYJCNAYITGN-UHFFFAOYSA-N 422.591 3.478 0 40 HGAB Cc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccccc3Cl)CC2=O)cc1C 409126065 AQEAROZJSYRYAA-HNNXBMFYSA-N 400.862 3.492 0 40 HGAB CC(C)Cn1nc(C(=O)N2CCO[C@@]3(CCc4ccccc43)C2)c2ccccc2c1=O 511052105 ACTOSNJFFSHDKX-VWLOTQADSA-N 417.509 3.367 0 40 HGAB Cc1cc(C(=O)N2CCC[C@@H]2c2cccc3c2OCCO3)ccc1N1CCNC1=O 589580027 JHLQLGMGIMCBSF-LJQANCHMSA-N 407.470 3.273 0 40 HGAB CC[C@H](NC(=O)c1cc2cnn(C(C)C)c2nc1C)c1ccccc1OCC(=O)NC 614772948 QOWOOIHKYUNZRN-IBGZPJMESA-N 423.517 3.327 0 40 HGAB O=S(=O)(NC[C@@H](c1ccsc1)n1cccn1)c1ccccc1Br 618255241 AENQEGGUWZTCHK-AWEZNQCLSA-N 412.334 3.275 0 40 HGAB CC[C@H](NC(=O)NCc1cc2c(nc1O)CCCC2)[C@H](O)c1c(F)cccc1F 1683562611 GBJWBLFHLZZURX-LPHOPBHVSA-N 405.445 3.256 0 40 HGAB O=C(c1cccnc1C(F)(F)F)N1CCC2(CC1)CN(c1ccccc1)C(=O)CO2 2037988423 FYOOVTJQXCEIST-UHFFFAOYSA-N 419.403 3.139 0 40 HGAB CCc1cccc(C)c1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccc(OC)cc2)C1 794298 COPPRONDVCNZDG-QGZVFWFLSA-N 410.470 3.101 0 40 HGAB O=C(Nc1ccc(I)cc1)[C@H]1CC(=O)N(C2CCCCC2)C1 834634 BRLWNQDQODRALI-LBPRGKRZSA-N 412.271 3.411 0 40 HGAB Cc1ccccc1Cn1c(N[C@H]2C[C@@H](C)CC(C)(C)C2)nc2c1c(=O)[nH]c(=O)n2C 1271447 KHANHDCQXWGYIQ-PBHICJAKSA-N 409.534 3.407 0 40 HGAB CC(C)Oc1cccc(-c2nnc(SCC(=O)Nc3ccc(F)cc3F)n2N)c1 2265764 BLDJMWXQZUUTOM-UHFFFAOYSA-N 419.457 3.455 0 40 HGAB COc1ccc(C(=O)Nc2c3c(nn2-c2ccc(C)cc2)C[S@](=O)C3)cc1OC 2725148 SZIQKMHUGFDPDV-LJAQVGFWSA-N 411.483 3.213 0 40 HGAB CCCCNC(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccc(C)c(C)c2)cc1 2889844 VQNKYJRYIQLUNT-UHFFFAOYSA-N 403.504 3.344 0 40 HGAB CCOc1ccccc1NC(=O)CN1C(=O)N[C@](C)(c2ccccc2Cl)C1=O 3593682 YVMNTCZKYNVUPQ-HXUWFJFHSA-N 401.850 3.144 0 40 HGAB Cn1c(=O)c2c(SCc3cccc(Cl)c3)nc(-c3ccco3)nc2n(C)c1=O 4139171 KABHHWCDLURBBM-UHFFFAOYSA-N 414.874 3.233 0 40 HGAB O=C(O[C@@H]1CS(=O)(=O)C[C@H]1Nc1ccc(Cl)cc1)c1ccc(Cl)cc1 4158938 DNHHVTUMAAJOKE-HZPDHXFCSA-N 400.283 3.428 0 40 HGAB CCc1nnc(NC(=O)CSc2ccc(-c3ccc(OC)c(OC)c3)nn2)s1 4355693 UGQQZSRLGGXHFJ-UHFFFAOYSA-N 417.516 3.306 0 40 HGAB CCCCCn1c(=O)[nH]c2cc(C(=O)Nc3cc(OC)cc(OC)c3)ccc2c1=O 4792048 XNNYRYGWYVTVFM-UHFFFAOYSA-N 411.458 3.150 0 40 HGAB O=C(COC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1)Nc1ccccc1 4836522 VVNFNNSEOYLZII-UHFFFAOYSA-N 416.499 3.047 0 40 HGAB CCn1c(C)cc(C(=O)COC(=O)C[C@@H](NC(N)=O)c2ccccc2Cl)c1C 5630163 HJECUSVQLJEUIE-QGZVFWFLSA-N 405.882 3.304 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc4c(s3)CC[C@H](C)C4)CC2)cc1 5823876 UTQHIMMEFRHJQQ-INIZCTEOSA-N 418.584 3.328 0 40 HGAB CC1(c2cccc(NC(=O)CCCC(=O)OCC(=O)c3ccccc3)c2)OCCO1 6202155 RYBKUHZZTSSQFN-UHFFFAOYSA-N 411.454 3.441 0 40 HGAB CCOC(=O)Nc1ccc2c(CN3CCC(C(=O)OCC)CC3)cc(=O)oc2c1 6612679 DNIVCHDPYCGZDA-UHFFFAOYSA-N 402.447 3.137 0 40 HGAB O=C(COc1ccccc1Cl)N(Cc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 6811052 QLWBIRKOYIPFOT-OAHLLOKOSA-N 411.882 3.074 0 40 HGAB O=C(COC(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1)Nc1ccc(F)c(Cl)c1 7295778 OVAQQYGZLLFTKX-LLVKDONJSA-N 408.788 3.153 0 40 HGAB COc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cc(Cl)ccc3OC)C2)c(OC)c1 7307293 SQSGOTIKBGRYKZ-GFCCVEGCSA-N 404.850 3.357 0 40 HGAB CCn1c(SCC(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C)C3)nnc1C1CC1 7618217 VMNWXWMMQOZUHA-SNVBAGLBSA-N 419.576 3.191 0 40 HGAB CCOc1ccccc1N1C[C@H](C(=O)OCC(=O)Nc2c(C)cccc2C)CC1=O 8039735 OSZSZTHKMSJBLB-QGZVFWFLSA-N 410.470 3.237 0 40 HGAB Cn1nc(C(=O)NC[C@@H](c2ccccc2Cl)N2CCCC2)c2ccccc2c1=O 8168848 CVAHEJDCVFHAKB-IBGZPJMESA-N 410.905 3.154 0 40 HGAB CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)Cc1ccccc1N1CCCC1 8710735 PFQJXSFJVYQWON-UHFFFAOYSA-N 408.546 3.194 0 40 HGAB O=C(NC[C@H](c1ccco1)N1CCCC1)C1CCN(C(=O)c2ccc(F)cc2)CC1 9217440 CNGGCLQFRVPLDK-HXUWFJFHSA-N 413.493 3.224 0 40 HGAB CS(=O)(=O)c1ccccc1-c1nnc(NC(=O)c2ccccc2Br)o1 9346656 FAORPRJGEAEUGA-UHFFFAOYSA-N 422.260 3.155 0 40 HGAB COc1cc(OC)cc(C(=O)Nc2nc(CC(=O)Nc3nc(C)cs3)cs2)c1 9659244 CVPBPFPABBVLOS-UHFFFAOYSA-N 418.500 3.359 0 40 HGAB O=c1ccc(-c2ccccc2)nn1CCNS(=O)(=O)c1ccc2ccccc2c1 9660990 LMGLNDZBVRNZRV-UHFFFAOYSA-N 405.479 3.042 0 40 HGAB O=C(NCC(=O)N1CCc2[nH]c3ccccc3c2C1)c1ccccc1Br 9901105 FCIZSRJXRLNZKQ-UHFFFAOYSA-N 412.287 3.245 0 40 HGAB Cc1csc(=O)n1CCC(=O)NCC1(c2ccc3c(c2)OCCO3)CCCC1 10777201 BLHNMWOMOUJXFS-UHFFFAOYSA-N 402.516 3.008 0 40 HGAB Cc1ccc2c(c1)C(=O)NCC1(CCN(C(=O)CCC(=O)c3cccs3)CC1)O2 12225800 TVIPFFNVRWLPMB-UHFFFAOYSA-N 412.511 3.203 0 40 HGAB Cc1ccc(COc2cn(CC(=O)NCc3ccc4c(c3)OCO4)c(C)cc2=O)cc1 12230652 AUZZYUPVPQZKHN-UHFFFAOYSA-N 420.465 3.089 0 40 HGAB O=C1N(CN2CCN(c3ccccc3)CC2)c2ccccc2C12O[C@H]1CCCC[C@H]1O2 12376695 VYJKCQHDIRIYPU-HCGNOCCLSA-N 419.525 3.324 0 40 HGAB COC(=O)C[C@@H](NC(=O)CSCC(=O)Nc1ccc(Cl)cc1)c1ccccc1 12765104 FCDUMUNYRWIKFK-QGZVFWFLSA-N 420.918 3.432 0 40 HGAB CN(Cc1ccc(Cl)cc1Cl)C(=O)CCc1ccc(S(N)(=O)=O)cc1 12823711 BKTIUCCFMJJAHT-UHFFFAOYSA-N 401.315 3.232 0 40 HGAB CCOC(=O)c1c(C)[nH]c(C(=O)N(CC)CC(=O)Nc2c(F)cccc2F)c1C 12850766 IKOAESSBRMCJOI-UHFFFAOYSA-N 407.417 3.187 0 40 HGAB C[C@@H](NC(=O)CSCc1ccc(Cl)s1)c1ccc(S(N)(=O)=O)cc1 12917153 PSXNWVIEAXJKTJ-SNVBAGLBSA-N 404.966 3.160 0 40 HGAB CCCN(Cn1nc(Nc2ccccc2F)sc1=S)[C@H]1CCS(=O)(=O)C1 12924359 FHKNYLDALLRIIL-LBPRGKRZSA-N 416.569 3.413 0 40 HGAB CNC(=O)c1ccc(CN(Cc2ccco2)S(=O)(=O)c2ccc(F)cc2C)cc1 12930858 NQLGUBBHVNJSSZ-UHFFFAOYSA-N 416.474 3.478 0 40 HGAB Cc1nc(-c2cccs2)sc1C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 12987452 QGLASKUREMIJLS-JTQLQIEISA-N 407.542 3.318 0 40 HGAB Cc1cccc(NC(=O)c2ccccc2NC(=O)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 13118129 DXDXQXCNZAEJTP-ROUUACIJSA-N 417.465 3.137 0 40 HGAB O=C(Nc1nnc(SCc2cc(=O)c(OC(=O)C3CCCC3)co2)s1)C1CC1 16047808 JDWYQNJOPVPLLD-UHFFFAOYSA-N 421.500 3.228 0 40 HGAB COc1ccc(NC(=S)NC(=O)c2c(F)c(F)c(OC)c(F)c2F)c(OC)c1 17091378 VOIWAGZKYCUAFY-UHFFFAOYSA-N 418.368 3.396 0 40 HGAB COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 17637944 HYHGCJMQKWFJQS-MRXNPFEDSA-N 412.511 3.079 0 40 HGAB CC[C@H]1Oc2ccc(C(=O)c3ccco3)cc2N(CC(=O)NCc2ccccc2)C1=O 19500849 SVNMSOOGPGCGCK-LJQANCHMSA-N 418.449 3.331 0 40 HGAB COc1cccc(CN2CCC[C@@H](c3cc(C(F)F)n4ncnc4n3)C2)c1OC 19567783 CKVUKASEEAUBQC-CYBMUJFWSA-N 403.433 3.459 0 40 HGAB COc1ccccc1CN1CCC[C@@H](c2cc(C(=O)NCc3ccncc3)on2)C1 19570309 NHMPQEIFWHGLOZ-GOSISDBHSA-N 406.486 3.388 0 40 HGAB Cc1cc(C)n(CC(=O)NCCn2ncc(-c3ccccn3)c2-c2cccs2)n1 19573483 KSPBGWNNVJEUAH-UHFFFAOYSA-N 406.515 3.303 0 40 HGAB O=S(=O)(N[C@H](CCN1CCCCC1)c1ccccc1)c1ccc2oc(O)nc2c1 19716056 GBGNSZUPXFQMGN-GOSISDBHSA-N 415.515 3.429 0 40 HGAB CCn1ncc(-c2cc(C(=O)NCC3(c4cccc(F)c4)CCOCC3)on2)c1C 19719078 KCVWWQNJMUOEII-UHFFFAOYSA-N 412.465 3.484 0 40 HGAB CCc1nn2c(nnc3c(=O)n(-c4ccc5c(c4)OCO5)ccc32)c1-c1ccccc1 19818964 BFKPWLPHUAFLGU-UHFFFAOYSA-N 411.421 3.387 0 40 HGAB CC[C@H](C)NS(=O)(=O)c1ccc(OCC(=O)N[C@H]2CCCc3ccccc32)cc1 20019585 FEINUSWPGXRSNP-KKSFZXQISA-N 416.543 3.336 0 40 HGAB Cc1ccc(S(=O)(=O)Nc2ccc(N3CCOCC3)c(Br)c2)cc1 20611591 JKXSCAWZWWMNQJ-UHFFFAOYSA-N 411.321 3.395 0 40 HGAB O=C(O)[C@@H]1CCCN(C(=O)Cc2csc(-c3cccc(Br)c3)n2)C1 20725913 KPIMMZFUFQUWGO-GFCCVEGCSA-N 409.305 3.438 0 40 HGAB CCOC(=O)N1CCN([C@H](c2ccc(C)cc2)c2c(O)cc(C)n(CC)c2=O)CC1 22697225 WKXBWZJSAITARH-OAQYLSRUSA-N 413.518 3.054 0 40 HGAB CCc1nc2sc([C@@H](c3ccccc3)N3CCC(C(=O)OC)CC3)c(O)n2n1 22853582 LIXFGNXNBVCYMM-MRXNPFEDSA-N 400.504 3.033 0 40 HGAB Cc1ccc([C@H](CNC(=O)c2cc(=O)c3ccc(C)c(C)c3o2)N2CCN(C)CC2)o1 22938444 ZIOGKXLGTFFIIX-IBGZPJMESA-N 423.513 3.030 0 40 HGAB Cc1sc2ncn(CCC(=O)NCc3ccccc3Cn3cccn3)c(=O)c2c1C 23451669 PDVGFJSDXLVJHG-UHFFFAOYSA-N 421.526 3.026 0 40 HGAB CCN1CCN(C(=O)[C@@H](C)NC[C@H](c2ccccc2)c2c[nH]c3ccccc23)CC1 24177955 VAXIYHFGOSSRCP-DENIHFKCSA-N 404.558 3.442 0 40 HGAB COc1ccc(CCNC(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)cc1OC 25708549 KEASGGZHGMQHKI-OAHLLOKOSA-N 402.878 3.069 0 40 HGAB O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1O)c1ccccc1OC(F)F 29065676 FDXJHXCVFRFPPE-UHFFFAOYSA-N 412.414 3.030 0 40 HGAB COC(=O)c1cc(NC(=O)c2cccc(NC(=O)[C@@H]3CCCO3)c2)ccc1Cl 31057782 LLQLVQJOPDYKGU-KRWDZBQOSA-N 402.834 3.496 0 40 HGAB NC(=O)c1cc(NC(=O)c2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)ccc1F 31987229 BVHUYLZXMXQLEH-UHFFFAOYSA-N 409.417 3.106 0 40 HGAB Cc1ccc(C(=O)Nc2c(C)nn(C)c2C)cc1S(=O)(=O)NCc1ccccc1 32738069 BHPZHLVKAOPZDW-UHFFFAOYSA-N 412.515 3.076 0 40 HGAB c1cc(-c2nc(CSc3nnc(N4CCCC4)n3C[C@H]3CCCO3)no2)cs1 32754577 IXONAMZLQCBLCE-CQSZACIVSA-N 418.548 3.461 0 40 HGAB O=C(N[C@@H]1CCN(Cc2ccccc2)C1)c1cn(-c2ccccc2C(F)(F)F)nn1 32816973 AGGYPQMZOJXFGE-MRXNPFEDSA-N 415.419 3.290 0 40 HGAB CC(C)OCCCNC(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 32895947 YZZUXKNCGUIFFZ-UHFFFAOYSA-N 400.441 3.489 0 40 HGAB O=C(CN1CCC(C(=O)N2CCCCCC2)CC1)Nc1ccnn1C1CCCC1 39995933 WNPNCLCENXXLAL-UHFFFAOYSA-N 401.555 3.051 0 40 HGAB Cc1cc(=O)c(C(=O)NCCCCN2C[C@@H](C)C[C@H](C)C2)nn1-c1ccccc1F 40108508 VHLLERWNNFLWKQ-IRXDYDNUSA-N 414.525 3.168 0 40 HGAB CNC(=O)c1cc(NC(=O)[C@H](NC(=O)c2ccccc2C)C(C)C)ccc1Cl 40151962 ALXRZTNXNIRBRJ-GOSISDBHSA-N 401.894 3.401 0 40 HGAB COc1ccccc1-n1c(=O)c2sccc2n(CC(=O)Nc2cccc(C)c2)c1=O 57490757 ZQUGQUDKIVWUAL-UHFFFAOYSA-N 421.478 3.170 0 40 HGAB COC(=O)C[C@@H](NC(=O)Nc1ccn(-c2ccccc2)n1)c1ccc(OC)c(OC)c1 58018616 SZWZNNUNKJOJQS-QGZVFWFLSA-N 424.457 3.315 0 40 HGAB COc1cc(CNC[C@@H](CN(C)C)[C@@H](O)c2ccccc2)cc(OC)c1OC(F)F 58051000 NFTJQPXUGMNBKM-PXNSSMCTSA-N 424.488 3.306 0 40 HGAB COc1cc(/C=C/C(=O)NCC(=O)O)cc(Br)c1OCc1ccccc1 62715003 RXWAWTVUVHPSOP-BQYQJAHWSA-N 420.259 3.251 0 40 HGAB COc1ccc(-c2nc(C)c(C(=O)N3c4ccccc4C[C@H]3C(N)=O)s2)cc1OC 65514613 NARMNZGVLQZNRZ-INIZCTEOSA-N 423.494 3.193 0 40 HGAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c2c1[C@H](c1cccc(Br)c1)CC(O)=N2 71283702 BZAPFJHCDJZBRB-KGLIPLIRSA-N 424.320 3.437 0 40 HGAB COCCn1ccc2c(NC(=O)Cn3nc(-c4ccc(F)cc4)ccc3=O)cccc21 71285002 WMXSAVKKXMIXSW-UHFFFAOYSA-N 420.444 3.289 0 40 HGAB NC(=O)N[C@H](CC(=O)N1CC(OCc2cccc3ccccc23)C1)c1cccs1 72306730 WSJOSJNQWSXDGF-LJQANCHMSA-N 409.511 3.428 0 40 HGAB COC(=O)[C@@H](C)[C@H](NCC(=O)NCCc1nc2ccccc2s1)c1ccccc1 79025846 NKRXCDKUDXPWOC-BTYIYWSLSA-N 411.527 3.095 0 40 HGAB Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)N[C@H](Cc1ccccc1)C(=O)O 95424043 JALXXUQXGVIDDB-QGZVFWFLSA-N 415.852 3.458 0 40 HGAB NC(=O)c1ccc(S(=O)(=O)N2CCc3ccccc3[C@H]2Cc2ccccc2)cc1 95445247 AGKBNWPWTWDFMB-JOCHJYFZSA-N 406.507 3.316 0 40 HGAB COc1c(C)c2c(c(OC)c1C/C=C(\C)CCC(=O)Nc1nncs1)C(=O)OC2 96115930 KCDQJOQTBXILOT-VZUCSPMQSA-N 417.487 3.442 0 40 HGAB biogenic COc1ccc2cc([C@H]3CC(=O)Oc4ccc5c(C)cc(=O)oc5c43)c(=O)[nH]c2c1 96221897 QZKBFRIVXRFRID-OAHLLOKOSA-N 403.390 3.393 0 40 HGAB biogenic COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N[C@@H]3C[C@@H]4CC[C@@H]3C4)cc2)cc1 100403289 HTLSCWWREKRKKF-QLVMHMETSA-N 414.527 3.439 0 40 HGAB Cc1ccc(C)c(N2CCN(S(=O)(=O)C[C@]34CC[C@@H](CC3=O)C4(C)C)CC2)c1 101031460 DJYBGPZXBLFKCU-PGRDOPGGSA-N 404.576 3.151 0 40 HGAB O=C(O)[C@@H](NC(=O)[C@H]1CC[C@H](Cn2cnc3ccccc3c2=O)CC1)c1ccccc1 101899567 WXSZIXNPHTYLLB-CDXJDZJCSA-N 419.481 3.145 0 40 HGAB C[C@@H](C(=O)N1CCC(Cc2ccccc2)CC1)N(c1cccc(F)c1)S(C)(=O)=O 220471834 XAYYUVOISRVMOG-KRWDZBQOSA-N 418.534 3.462 0 40 HGAB C[C@H](C(=O)NCCCO)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1 222841500 RYYUHDYZUKVTIB-QGZVFWFLSA-N 402.922 3.189 0 40 HGAB COCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccccc1OC 222999842 YZCQMJLFEBAUCF-NHCUHLMSSA-N 408.527 3.500 0 40 HGAB O=C(O)c1ccccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)o1 223631340 PBBIVIUYEODRBC-VQTJNVASSA-N 423.494 3.395 0 40 HGAB CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(O)cc1 223663957 MKARHNAGBCBCPG-SFTDATJTSA-N 422.510 3.114 0 40 HGAB C[C@H](C(=O)Nc1ccc(Cc2ccncc2)cc1)N(c1ccccc1)S(C)(=O)=O 223705705 NKFHSGOOOYRRDG-QGZVFWFLSA-N 409.511 3.466 0 40 HGAB Cc1ccc(CN(CC(=O)NCCOc2ccccc2C(C)C)S(C)(=O)=O)cc1 223833580 LFGIUODCOBARLD-UHFFFAOYSA-N 418.559 3.075 0 40 HGAB Cc1c(Br)cnc(NC(=S)NC[C@H]2CCCO2)c1Br 223896753 GORXAMGMNUTECQ-MRVPVSSYSA-N 409.147 3.380 0 40 HGAB CCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)COc1ccccc1F 224591484 SUEQLUPYHZFEDV-LJQANCHMSA-N 402.466 3.157 0 40 HGAB COCc1cccc(NC(=O)CCCN(c2ccc(F)c(F)c2)S(C)(=O)=O)c1 224890958 YEWCYKBUBCXXGM-UHFFFAOYSA-N 412.458 3.296 0 40 HGAB Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)NC[C@@H](C)c3ccccc3)s2)c1 225138510 ZQQVHOYJEXCISK-CQSZACIVSA-N 416.528 3.181 0 40 HGAB COc1ccc(S(=O)(=O)N(C)Cc2nc(-c3ccccc3C)no2)c(C)c1C 225248917 OFKAOYVDHGZKRV-UHFFFAOYSA-N 401.488 3.491 0 40 HGAB CCCCC[C@](C)(OCC)C(=O)Nc1ccc(OCC(=O)N2CCOCC2)cc1 225702683 ZAEDFTWAUAYCDF-QFIPXVFZSA-N 406.523 3.238 0 40 HGAB CC(C)n1c(=O)sc2cc(S(=O)(=O)Nc3ccc(C(=O)N(C)C)cc3)ccc21 225718307 AAMSLPFVFMZSPT-UHFFFAOYSA-N 419.528 3.147 0 40 HGAB Cc1cc(Cl)c2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2[C@H]2CCCN21 247939461 UGLPDDLJAMAXJN-SCYDXJQRSA-N 421.884 3.080 0 40 HGAB CCn1cnc2cc(C(=O)N3CCC[C@@H](CC(=O)N(C)Cc4cc(C)on4)C3)ccc21 257235506 GYDUADGINWWPCJ-KRWDZBQOSA-N 423.517 3.254 0 40 HGAB COc1ccc(C(=O)N2CCCC[C@H]2c2nnc(-c3cnc(C)cn3)o2)c(OC)c1 257254492 KDHGYTDLMHWIAX-KRWDZBQOSA-N 409.446 3.220 0 40 HGAB CCc1nccn1CC(=O)N1CCC[C@H](c2ncc(Cc3ccc(OC)cc3)o2)C1 257273616 NHLAQLTUPLZINX-SFHVURJKSA-N 408.502 3.439 0 40 HGAB CC(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)CN(C)Cc1ccc(F)cc1 257326384 WXANEQHBHKZHCL-OQLXKQOESA-N 401.526 3.038 0 40 HGAB CCOC1CC2(CCN(C(=O)CC(C)CC(=O)N3CCC4(CC(OCC)C4)C3)C2)C1 561302219 UTIVQLMYAVDYTE-UHFFFAOYSA-N 420.594 3.238 0 40 HGAB C[C@@H](Oc1ccccc1F)C(=O)N1CCC(n2nc(C(C)(C)C)ccc2=O)CC1 1775969358 MZBKSNRVZMENIZ-OAHLLOKOSA-N 401.482 3.311 0 40 HGAB O=C(Nc1ccccc1I)c1coc(=O)c(Br)c1 1300071 YXVXPSJJFQNLNC-UHFFFAOYSA-N 420.000 3.259 0 40 HGAB O=C(c1ccccc1Cl)N1CCN(c2ncnc3c2cnn3-c2ccccc2)CC1 1372326 UYRBUNDAWGAZKO-UHFFFAOYSA-N 418.888 3.431 0 40 HGAB COC(=O)C1=CN(Cc2ccc(OC)cc2)C=C(C(=O)OC)C1c1ccc(OC)cc1 1457747 KCJKWRYDRHTHFG-UHFFFAOYSA-N 423.465 3.417 0 40 HGAB COc1ccc(CCNC(=O)COc2cc(C)cc3oc(=O)c4c(c23)CCC4)cc1 2150612 VVOZXAWZHAHKPE-UHFFFAOYSA-N 407.466 3.336 0 40 HGAB biogenic CCOC(=O)CSc1nc2nc3c(cc2c(=O)n1Cc1ccccc1)CCCC3 2290050 NAIPONAZKJMQMG-UHFFFAOYSA-N 409.511 3.374 0 40 HGAB O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccc(Br)cc2)N1CCO 2353278 LSUPMTJXMNBFIA-INIZCTEOSA-N 400.228 3.093 0 40 HGAB CCS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1nc2ccc(F)cc2s1 2627381 YWGNMZGBXNIBFU-INIZCTEOSA-N 419.503 3.151 0 40 HGAB COc1cc(CCC(=O)OCC(=O)NCc2ccc(Cl)cc2)cc(OC)c1OC 3244544 OXDVTJZJQMHWLO-UHFFFAOYSA-N 421.877 3.158 0 40 HGAB Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)N3CCC(C(N)=O)CC3)cc12 3368139 MDQUSPHOJYLURH-UHFFFAOYSA-N 402.907 3.386 0 40 HGAB COc1ccc([C@@H](C(=O)Nc2ccc(C(C)C)cc2)N(C)C(=O)CNC(C)=O)cc1 3615488 WEWPTVSEBWYTKF-QFIPXVFZSA-N 411.502 3.093 0 40 HGAB O=C(C[C@]1(O)C(=O)N(Cc2ccc3c(c2)OCO3)c2ccccc21)c1ccccc1 4400412 FGAKUVVKVYQUEI-XMMPIXPASA-N 401.418 3.423 0 40 HGAB O=C(CCN1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O)Nc1cc(C(F)(F)F)ccc1Cl 4553488 MFHZNAKGBOYKFZ-DICSFEIXSA-N 412.795 3.495 0 40 HGAB CCOc1ccc(N2C[C@@H](C(=O)Nc3cc(OC)c(OC)c(OC)c3)CC2=O)cc1 4732292 MIDLUDRZQNQVNU-AWEZNQCLSA-N 414.458 3.103 0 40 HGAB C/C=C\C(/C=C\C)(C(=O)OCCN(C)C)C(/C=C/C)(/C=C/C)C(=O)OCCN(C)C 5412824 SJIGIIJSBLTQJU-NTJPYOIESA-N 420.594 3.473 0 40 HGAB Cc1ccc(NC(=O)C[C@H](C)c2ccccc2)cc1S(=O)(=O)N1CCOCC1 5443734 FVLZFUSVGKLJNS-KRWDZBQOSA-N 402.516 3.148 0 40 HGAB CN1CCC(NCCc2c[nH]c3ccccc23)(c2nnnn2C2CCCCC2)CC1 6002064 ZTTGVWRUPOYELX-UHFFFAOYSA-N 407.566 3.413 0 40 HGAB Cc1ccc(C(=O)[C@H](C)OC(=O)c2cc(S(=O)(=O)N(C)C)ccc2F)cc1C 6436445 UOSMZNPFXSEHNF-AWEZNQCLSA-N 407.463 3.121 0 40 HGAB O=C(N[C@@H]1CCSc2ccccc21)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 6589545 MBRWRHQZAIPSBQ-WMLDXEAASA-N 410.495 3.164 0 40 HGAB COc1ccc(OC)c(NC(=O)[C@H]2C[C@H](C(C)C)N[C@]23C(=O)Nc2ccccc23)c1 6623976 RFBLYERDCPOBQR-UQNRQAKVSA-N 409.486 3.124 0 40 HGAB biogenic C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)NCCCSc1ccccc1)C2=O 6784901 ZRDIQCGSJWAESJ-ZHRRBRCNSA-N 417.575 3.422 0 40 HGAB CCC[C@H](C)NC(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(OC)cc1 6946714 BJQOYQIBCJMCHZ-INIZCTEOSA-N 420.531 3.204 0 40 HGAB CC(C)c1ccccc1NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 7056179 OZODLVQIUVHSCC-UHFFFAOYSA-N 408.545 3.395 0 40 HGAB COc1cc(C(=O)OCC(=O)N2CCCCCC2)cc(OC)c1Br 7269374 GZPIHXZAHVIZAI-UHFFFAOYSA-N 400.269 3.026 0 40 HGAB COc1ccccc1N(C)S(=O)(=O)c1ccc(C)c(C(=O)N2CCCCC2)c1 8131045 GKNURXQXPSRFHD-UHFFFAOYSA-N 402.516 3.455 0 40 HGAB CN(C)C(=O)CNC(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc12 8358924 KTKJHDJRIRDXGF-UHFFFAOYSA-N 412.287 3.482 0 40 HGAB COc1ccc(S(=O)(=O)Nc2ccc(F)cc2F)cc1C(=O)N1CCCCC1 8560547 DAVSAEQLNMCGGL-UHFFFAOYSA-N 410.442 3.400 0 40 HGAB O=C1[C@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C(=O)N1c1ccc2ccccc2c1 9012096 MKPIBSLBSTYPPT-OYSWMMLKSA-N 423.472 3.271 0 40 HGAB CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)NCc1ccco1 9217575 GMXHHYIQIYIBAP-OAHLLOKOSA-N 405.303 3.206 0 40 HGAB COCCn1cc(C(=O)NCCC2=CCCCC2)c2nn(-c3ccccc3)c(=O)c-2c1 9661563 WGEJNXFIOHSRMX-UHFFFAOYSA-N 420.513 3.406 0 40 HGAB Cc1ccc(-n2c(=O)[nH]c3c(C(=O)Nc4cc(C)ccc4C)cn(C)c3c2=O)cc1 9820884 SNCQTJNTOFODOE-UHFFFAOYSA-N 402.454 3.195 0 40 HGAB COc1cc(OC)cc(-c2nn3c(Cc4ccc(OC)c(OC)c4)nnc3s2)c1 10311773 BIYMWTIKJFEZBF-UHFFFAOYSA-N 412.471 3.478 0 40 HGAB Cc1ccc(Cl)cc1N(CCCC(=O)NCCCOC(C)C)S(C)(=O)=O 10359020 SIBLDPTVPHNSHM-UHFFFAOYSA-N 404.960 3.126 0 40 HGAB COc1ccc(C)cc1NC(=O)CNC(=O)CNc1ccc(C)cc1Br 11623174 IPSNEVNNVMAKHH-UHFFFAOYSA-N 420.307 3.241 0 40 HGAB Cc1nccn1[C@@H](C)CC(=O)N1CCC[C@H](c2nc3ccc(F)cc3cc2C(N)=O)C1 12221634 LXAHGAHMBAAJOG-HOCLYGCPSA-N 423.492 3.335 0 40 HGAB CCn1c(=O)oc2cc(S(=O)(=O)NCc3cc(C)cc4c(C)c(C)[nH]c34)ccc21 12239409 SOOZPCOAQKBGAQ-UHFFFAOYSA-N 413.499 3.499 0 40 HGAB COc1cccc2cc(-c3ccc(OCC(=O)N4CCSCC4)cc3)c(=O)oc12 12322378 IQLRPJCSJOOACX-UHFFFAOYSA-N 411.479 3.423 0 40 HGAB O=C(COc1ccccc1F)Nc1cccc(NC(=O)COc2ccccc2F)n1 12562236 XLQSJFGRCQPBPL-UHFFFAOYSA-N 413.380 3.395 0 40 HGAB Cc1nn(-c2ccccc2)nc1C(=O)N1CCN(Cc2nc3ccccc3s2)CC1 12568898 WKQGUMIZGBGFDO-UHFFFAOYSA-N 418.526 3.143 0 40 HGAB COc1ccc(CN(C)C(=O)CCn2cnc3sc4c(c3c2=O)CCCC4)cc1 12788431 WPMLENIOIIQZBK-UHFFFAOYSA-N 411.527 3.394 0 40 HGAB C[C@H]1CCCN(Cc2csc(NC(=O)CNC(=O)c3ccc(Cl)cc3)n2)C1 12790154 BNQUTLHGDKSWBS-ZDUSSCGKSA-N 406.939 3.397 0 40 HGAB Cc1ccc(Cl)cc1NC(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCCO2 12822202 BTCRNSXVNJZAKW-UHFFFAOYSA-N 424.906 3.117 0 40 HGAB Cc1ccc(S(=O)(=O)N(C)CC(=O)c2cc(C)n(-c3nccs3)c2C)cc1 12877475 KVMRPFARDQISTR-UHFFFAOYSA-N 403.529 3.362 0 40 HGAB COC(=O)c1cnc(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)s1 12890284 KSGPYYCPVUKUTP-GFCCVEGCSA-N 407.879 3.074 0 40 HGAB O=C(CCc1ccc(S(=O)(=O)NC2CC2)cc1)Nc1nc2c(s1)CCCCC2 12907138 FUCVVGQGVDTVGO-UHFFFAOYSA-N 419.572 3.424 0 40 HGAB CCCn1c(=O)n(CC(=O)Nc2cc(Cl)ccc2-n2cncn2)c2ccccc21 12912833 LYJVQZIRYLMCGF-UHFFFAOYSA-N 410.865 3.086 0 40 HGAB O=C(COc1cccc(Br)c1)NCc1cccc(NC(=O)C2CC2)c1 12925514 LPDHGIUNMLUMJC-UHFFFAOYSA-N 403.276 3.493 0 40 HGAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCCN(C)C)ccc2C)cc1C 13670687 IXMDNLFXOJVXAF-UHFFFAOYSA-N 403.548 3.094 0 40 HGAB CC[C@H](C)NC(=O)[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1 13680139 REKWDLHBLWRKMX-SCLBCKFNSA-N 408.907 3.211 0 40 HGAB CC[C@H](C(=O)Nc1cccc(C(=O)OC)c1C)N(c1ccc(C)cc1)S(C)(=O)=O 13713641 IQTKCVMGBFDEOM-LJQANCHMSA-N 418.515 3.273 0 40 HGAB Cn1cccc1/C=C1\SC(=O)N(CC(=O)Nc2ccc(Br)cc2)C1=O 13881376 NOWCQPMICZSBNH-ZROIWOOFSA-N 420.288 3.463 0 40 HGAB COc1ccc([C@@H](CNC(=O)c2c(-c3ccccc3)noc2C)N2CCOCC2)cc1 14136589 RLEGZRLFKWMTAI-OAQYLSRUSA-N 421.497 3.462 0 40 HGAB O=C(CCn1c(=O)oc2cc(Cl)ccc21)NCc1ccc(Cn2cccn2)cc1 14245217 NPVVAFAPLYIXTB-UHFFFAOYSA-N 410.861 3.199 0 40 HGAB CS(=O)(=O)Nc1ccc(C(=O)COC(=O)c2csc(-c3ccsc3)n2)cc1 15524922 IJMHOHXMGQXIGY-UHFFFAOYSA-N 422.509 3.283 0 40 HGAB CC(C)c1nn2c(=O)cc(COC(=O)c3ccc(Br)cc3)nc2s1 15734002 VWGRGBNUJTYXRD-UHFFFAOYSA-N 408.277 3.394 0 40 HGAB CSc1ccc(CN(C)C(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)cc1 15967601 QBMHHKAURHXJAC-INIZCTEOSA-N 412.511 3.191 0 40 HGAB C[C@H]1Cc2ccccc2N1C(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 16022683 HAPWUIQMFFKELK-HNNXBMFYSA-N 402.491 3.204 0 40 HGAB CCOC(=O)[C@@H]1C(=O)[C@H](C(=O)OCC)[C@H](c2ccccc2)N(C)[C@@H]1c1ccccc1 16682674 SMOICQRJIQLAGP-UJOPUZHASA-N 409.482 3.342 0 40 HGAB CCOP(=O)(OCC)/C(=C\N1CCOCC1)NC(=O)c1ccc(Cl)cc1 16851909 ITHUXSUXNFYOBV-SSZFMOIBSA-N 402.815 3.467 0 40 HGAB Cc1cc(C)c(NC(=O)C(=O)NCCCN2CCO[C@@H](c3ccccc3)C2)c(C)c1 16993957 BAQLRTNNSUDXBW-OAQYLSRUSA-N 409.530 3.130 0 40 HGAB CCCS(=O)(=O)N1CCCc2cc(NC(=O)COc3cccc(OC)c3)ccc21 17286738 QTOHJWWGLKYFOR-UHFFFAOYSA-N 418.515 3.205 0 40 HGAB Cn1nc(-c2cccnc2)cc1CN1CCN(C(=O)c2cc3c(s2)CCCC3)CC1 19289032 VLXNEEGBTVPLHE-UHFFFAOYSA-N 421.570 3.380 0 40 HGAB COc1cccc(-c2cc(C(=O)N[C@@H](c3cccc(OC)c3)c3nccn3C)[nH]n2)c1 19291230 FEWRSDBCGLLQOB-NRFANRHFSA-N 417.469 3.347 0 40 HGAB COc1cccc(C(=O)N2CCC(c3cc(N(C)C)nc(-c4cnccn4)n3)CC2)c1 19584738 SUSOUCORZDUVLW-UHFFFAOYSA-N 418.501 3.028 0 40 HGAB CNC(=O)[C@]1(Cc2ccccc2-c2ccncc2)CN(C(=O)C2CCCCC2)CCO1 19591803 FYNLSDYWKVOIDN-VWLOTQADSA-N 421.541 3.215 0 40 HGAB COc1ccccc1/C=C/CN1CCO[C@H](c2c(C(N)=O)sc3ncccc23)C1 19703327 JBLRZJMCRWGXJO-FZMUQLTDSA-N 409.511 3.491 0 40 HGAB COc1cc(C(=O)NCCCN2CCOCC2)ccc1OCc1ccc(Cl)cc1 19720257 YYEPNUWQSBCRLK-UHFFFAOYSA-N 418.921 3.380 0 40 HGAB CC[C@H](NC(=O)[C@H]1CN(S(=O)(=O)CC)c2ccccc2O1)c1ccc(C)cc1 20490347 WYKDVTIWLPARSO-FXAWDEMLSA-N 402.516 3.180 0 40 HGAB COc1ccc(CN2CCN(CC(=O)N(c3ccccc3)C(C)C)CC2)cc1OC 22784548 NVIZBGYVSGWJQR-UHFFFAOYSA-N 411.546 3.263 0 40 HGAB O=C(Nc1ccncc1)C1CCN(C(=O)Cc2ccc(Br)cc2)CC1 24701861 MLMWOLAZYPLVNN-UHFFFAOYSA-N 402.292 3.264 0 40 HGAB COC(=O)c1cc(NC(=O)c2cccc(NC(=O)[C@@H]3CCCO3)c2)c(F)cc1F 26063548 WGKGQINQOVCBNM-KRWDZBQOSA-N 404.369 3.121 0 40 HGAB Cc1ccc(-n2cnnc2SCC(=O)N2CCN(C)C[C@@H]2c2ccccc2)cc1C 26937169 UCAYJJWEKKJPTG-OAQYLSRUSA-N 421.570 3.492 0 40 HGAB C[C@@H](NC(=O)Cn1c(CS(C)(=O)=O)nc2ccccc21)c1cccc(Cl)c1 27098323 CVMWTMNPDFOZFE-CYBMUJFWSA-N 405.907 3.112 0 40 HGAB CN(Cc1ccccc1)C(=O)[C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 30852406 IZVVBCYDPXHYPR-QFIPXVFZSA-N 414.571 3.320 0 40 HGAB CCN(Cc1cn(CC)nc1C)C(=O)c1cc(-c2cnn(C)c2)nc2onc(C)c12 36619076 QNISHKDGYRTWLN-UHFFFAOYSA-N 407.478 3.119 0 40 HGAB C[C@@H]1CN([C@@H](CNC(=O)COc2ccccc2)c2c(F)cccc2Cl)CCO1 40106853 WMXNRNMQQNNKKF-BEFAXECRSA-N 406.885 3.436 0 40 HGAB CNS(=O)(=O)Cc1ccc(CNC(=O)[C@@H](C)Oc2cc(C(C)C)ccc2C)cc1 40145164 PWTSEWKNULAMGY-QGZVFWFLSA-N 418.559 3.251 0 40 HGAB CCOC(=O)N1CCC(C(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)CC1 40145477 JZKGNWHBGBMUMU-HUUCEWRRSA-N 407.486 3.246 0 40 HGAB COc1cc(OC)cc(C(=O)N2CCC(C(=O)Nc3ccc(F)cc3F)CC2)c1 42198742 BNQOCAQVNUKVHW-UHFFFAOYSA-N 404.413 3.473 0 40 HGAB Cc1ccc(NC(=O)[C@@H](C)N2CCN(c3nccs3)CC2)c(Br)c1 54635394 LJNZSDUQZAILES-CYBMUJFWSA-N 409.353 3.363 0 40 HGAB CCCN(CCC)C(=O)Cn1c(=O)n(-c2ccc(F)cc2C)c(=O)c2sccc21 57493338 QXMPVOHKVYQVCJ-UHFFFAOYSA-N 417.506 3.310 0 40 HGAB Cc1nn(C)c(C(=O)NCc2ccc(CN3CCCCC3)cc2)c1Br 58015102 JLHQQHNDQUCNTR-UHFFFAOYSA-N 405.340 3.407 0 40 HGAB CCOc1ccccc1N1CCN([C@H](C)C(=O)Nc2ccc(NC(C)=O)cc2)CC1 58162292 KCGPBZHGTWNQKN-QGZVFWFLSA-N 410.518 3.193 0 40 HGAB COc1ccc(C(=O)Nc2ccc(N3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)nc2)cc1 62001782 FDAHOMGKOCPXGM-AEFFLSMTSA-N 416.481 3.128 0 40 HGAB biogenic Cc1ccc(-c2cn(CC(=O)NCc3cccc(C)c3)nc2N2CCOCC2)cc1 62006903 VPLTZVPCXYAZSR-UHFFFAOYSA-N 404.514 3.320 0 40 HGAB COc1ccc(NC(=O)Cn2nnc(C(=O)Nc3cccc(C)c3C)c2C)cc1OC 67322937 GQYLIJIFFWARJQ-UHFFFAOYSA-N 423.473 3.112 0 40 HGAB CCN(CC)C(=O)c1cnc([C@@H]2CCCCN2C(=O)c2scnc2C)nc1C 72345527 QUGSZIGGWWXYDJ-INIZCTEOSA-N 401.536 3.399 0 40 HGAB C[C@H]1CN(c2nc(O)c3c(n2)CN(Cc2ccc(C(F)(F)F)cc2)CC3)C[C@H](C)O1 72347269 OMOBPWDJBRCLRH-KBPBESRZSA-N 422.451 3.373 0 40 HGAB C[C@@H]1CCCN(CCC(=O)N2CCC(c3ccc(C(=O)NCC4CC4)cn3)CC2)C1 72374409 FGIQTAOUFKWNKU-GOSISDBHSA-N 412.578 3.049 0 40 HGAB CC(C)CC(=O)N1CCO[C@@](Cc2ccccc2-c2cccnc2)(C(=O)N(C)C)C1 72389020 CFVIUOWFMZEMEZ-XMMPIXPASA-N 409.530 3.023 0 40 HGAB CCC[C@H](C(=O)N[C@H]1CCc2c(O)cccc21)N1CCN(C(=O)OC(C)(C)C)CC1 78971988 INCBAPQXAZRLIM-RBUKOAKNSA-N 417.550 3.217 0 40 HGAB CCC[C@@H]1CN(CC(=O)N(C(C)C)C(C)C)CCN1CC(=O)N(C(C)C)C(C)C 84740838 JOTZXNFHNLYHPD-OAQYLSRUSA-N 410.647 3.064 0 40 HGAB CSCc1noc(CCC(=O)OCC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)n1 89905089 PWNBDFSXRFOIJZ-CQSZACIVSA-N 417.531 3.165 0 40 HGAB COc1ccc2c(ccn2CCNC(=O)c2ccc(-c3nnn(C(C)C)n3)cc2)c1 96223259 DJWMTLRBVACJGL-UHFFFAOYSA-N 404.474 3.314 0 40 HGAB COc1ccc(S(=O)(=O)N2[C@H]3CC[C@H]2CC(NC(=O)Nc2ccccc2)C3)cc1 100433928 HNCJVOLNHOOHFU-ROUUACIJSA-N 415.515 3.201 0 40 HGAB COCC(=O)NC[C@H]1CC[C@H](c2nc(N3CCCC3)ncc2-c2cc(C)no2)CC1 100743982 AXVGZXUXYXLDHQ-CALCHBBNSA-N 413.522 3.077 0 40 HGAB O=C(NC[C@H]1CC[C@H](C(=O)NCCN2CCc3ccccc32)CC1)[C@H]1CC=CCC1 100766682 ZEPAUKZNFUCDIO-ILWGZMRPSA-N 409.574 3.444 0 40 HGAB Cc1cccc(C)c1OCC(=O)N[C@H](C)c1cc(O)n2nc(C3CCOCC3)cc2n1 100769418 PUAABUHJUVWLLO-MRXNPFEDSA-N 424.501 3.202 0 40 HGAB COc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)Nc3cccc(O)c3)CC2)cc1 101493123 IYAZCJOXRBKAON-IYBDPMFKSA-N 418.515 3.124 0 40 HGAB Cc1nn(-c2nc3ccccc3o2)c(O)c1[C@H]1CC(=O)N(c2ccc(F)cc2)C1=O 101983798 FYVLLCHRIGBYKP-CQSZACIVSA-N 406.373 3.214 0 40 HGAB O=C(NCc1ccc(C(=O)c2cccs2)s1)C(=O)Nc1ccc2c(c1)OCO2 206678588 ILBXNOFCRNMGJF-UHFFFAOYSA-N 414.464 3.024 0 40 HGAB Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2C(=O)c2ccccc2)cc1 219011548 LMSFVLBQAKFEMN-UHFFFAOYSA-N 422.506 3.485 0 40 HGAB CN1CCN(S(=O)(=O)Cc2ccc(C(=O)Nc3cccc4ccccc34)cc2)CC1 219973153 LAIMNSABXLPUTE-UHFFFAOYSA-N 423.538 3.169 0 40 HGAB CC(C)(Cc1ccccc1)NC(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O 222612266 AHXFHOXJABYHLP-UHFFFAOYSA-N 412.914 3.383 0 40 HGAB Cc1cc(Cl)ccc1N(CC(=O)NCCSC1CCCC1)S(C)(=O)=O 222852562 RKTRLEMXTJPFPP-UHFFFAOYSA-N 404.985 3.206 0 40 HGAB CCCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(Cl)c(C(=O)OC)c1 223831581 ATCJTFJDRXUSQU-UHFFFAOYSA-N 410.879 3.067 0 40 HGAB COCCn1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc2c(c1)OCO2 224007990 CXBWXBBZESRGHE-SFTDATJTSA-N 422.510 3.435 0 40 HGAB CC[C@@H](C(=O)NCCOc1cccc(C)c1)N(c1ccc(C)cc1)S(C)(=O)=O 224303696 YIFHIDVIMAUSSY-FQEVSTJZSA-N 404.532 3.043 0 40 HGAB O=C(NCC1CCCCC1)[C@@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 224387690 OIFMLTNKODPPBZ-OAQYLSRUSA-N 406.592 3.358 0 40 HGAB CNC(=O)[C@]1(Cc2cc(-c3ccccc3C)no2)CCN(C(=O)c2ccccc2)C1 257218160 DCBLAKLJWCCBGF-DEOSSOPVSA-N 403.482 3.471 0 40 HGAB Cc1ccc(OCC2(O)CCN(CC(=O)NC(C)(C)Cc3ccccc3)CC2)cc1 257299273 RPJPLOFBDLUEMO-UHFFFAOYSA-N 410.558 3.338 0 40 HGAB CCOc1ccc(NC(=O)[C@]23C[C@H]2CN(c2ccc(Cl)cc2)S3(=O)=O)cc1 260828937 FXYUSNDHUGKKAX-DJJJIMSYSA-N 406.891 3.286 0 40 HGAB COc1ccc(CN2C[C@@H](c3ccnn3C)[C@@]3(CCCN(CC4CC4)C3=O)C2)cc1 306136420 PSWWHMBDKGGXGW-XUZZJYLKSA-N 408.546 3.047 0 40 HGAB CC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 409393769 XVWDCHLRQSHOKO-INIZCTEOSA-N 402.516 3.122 0 40 HGAB COc1ccc([C@@H]2CCCN2C(=O)CCc2c(C)nc3ncnn3c2C)cc1OC 512875679 GZITUFDTOFTHFS-SFHVURJKSA-N 409.490 3.055 0 40 HGAB O=C1CCCCc2cc(-c3nc(-c4ccc(CN5C(=O)CNC5=O)cc4)no3)ccc21 518845549 XQBKOIBCHURKQH-UHFFFAOYSA-N 416.437 3.365 0 40 HGAB CN(Cc1nccn1C)C(=O)Nc1ccc(Oc2cccc(S(C)(=O)=O)c2)cc1 539256265 PBKGLXZTXQTIHH-UHFFFAOYSA-N 414.487 3.280 0 40 HGAB Cc1ccc(S(=O)(=O)n2cc(I)c3cc(F)cnc32)cc1 575629536 ZWHJLEXFSZFNCB-UHFFFAOYSA-N 416.215 3.325 0 40 HGAB Cc1ccnn1CCC(=O)N1CCCCNC(=O)c2cc(Cl)ccc2OCCC1 643558941 XLXVNRSNYFUJHQ-UHFFFAOYSA-N 418.925 3.056 0 40 HGAB CC(C)(C)OC(=O)N1CCCN(c2ccc3nnc(-c4cccc(F)c4)n3n2)CC1 1642115689 IFQOOSZURDNKPU-UHFFFAOYSA-N 412.469 3.378 0 40 HGAB C[C@@H](C(=O)OCC(=O)Nc1cc(Cl)ccc1Cl)N1C(=O)c2ccccc2C1=O 941660 QHEVZPJCTLPTRV-JTQLQIEISA-N 421.236 3.160 0 40 HGAB O=c1cccc2n1C[C@H]1C[C@@H]2CN(C[C@@H](O)Cn2c3c(c4ccccc42)CCCC3)C1 1323233 ROTXKTSJRVHHQL-XUVXKRRUSA-N 417.553 3.162 0 40 HGAB biogenic COC(=O)CSc1nnc2c3c4c(sc3nc(SC)n12)CO[C@H](C(C)C)C4 1824493 SYDRLZDHHYPKGZ-JTQLQIEISA-N 424.573 3.423 0 40 HGAB NC(=O)c1c(NC(=O)COC(=O)c2cc3c(s2)CCCC3)sc2c1CCCC2 2637646 ZBTDMQHGBAVWLT-UHFFFAOYSA-N 418.540 3.462 0 40 HGAB CCN(C(=O)COC(=O)CNC(=O)c1ccc(OC)cc1)c1cccc2ccccc12 3413254 ZXXWRUZZDLGOCA-UHFFFAOYSA-N 420.465 3.175 0 40 HGAB O=C(CSc1nnc(-c2ccncc2)n1-c1ccccc1)NC(=O)NC1CCCC1 3516300 LNLZMYUMTLFYPQ-UHFFFAOYSA-N 422.514 3.190 0 40 HGAB O=C(CN1C(=O)N[C@](Cc2ccccc2)(c2ccccc2)C1=O)NCc1cccs1 3599359 IBPQTQFWHOOYCV-HSZRJFAPSA-N 419.506 3.054 0 40 HGAB Cc1cccc(Oc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2Cl)c1 3641818 ZMPIQSUGTRHGCJ-UHFFFAOYSA-N 410.861 3.236 0 40 HGAB Cc1cccc(NC(=O)CSc2ncnc3c2nnn3Cc2ccccc2F)c1 4166503 FXZKWYJGLUCOQQ-UHFFFAOYSA-N 408.462 3.448 0 40 HGAB Cc1ccc(N2C[C@H](NC(=O)N3CCN(c4ccccc4F)CC3)CC2=O)cc1C 4272596 JDGBDXMLRPAKHR-GOSISDBHSA-N 410.493 3.080 0 40 HGAB COc1ccc(Cc2nn3c(-c4ccc(OC)c(OC)c4)nnc3s2)cc1OC 4511715 DTYDURZVUALQBQ-UHFFFAOYSA-N 412.471 3.478 0 40 HGAB Cc1nn(Cc2noc(C(=O)N[C@H](C)c3ccccc3)n2)c(C)c1Br 4726710 YNOQSZNDDNNOQS-SNVBAGLBSA-N 404.268 3.185 0 40 HGAB C[C@@H](NC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O)C12CC3CC(CC(C3)C1)C2 5279301 RKSRBHLTBUEDJN-XSXQVXRUSA-N 402.560 3.343 0 40 HGAB COCCCNC(=O)CSc1nnc(-c2ccc(F)cc2)n1-c1ccc(F)cc1 5279981 WJSYUNSCCGRDRA-UHFFFAOYSA-N 418.469 3.457 0 40 HGAB COc1ccc([C@H]2c3c(n[nH]c3-c3cc(C)cc(C)c3O)C(=O)N2CCCO)cc1 5342683 YZTJQMRLDPMEFB-NRFANRHFSA-N 407.470 3.335 0 40 HGAB CCOC(=O)C1=C(C)Oc2ncn3nc(-c4ccncc4)nc3c2[C@@H]1c1ccco1 5349161 XXMDBVWTGJYTLJ-MRXNPFEDSA-N 403.398 3.141 0 40 HGAB COCCCNC(=O)CSc1nnc(Cc2ccccc2)n1-c1ccc(F)cc1 5356330 WSIRSXSNKKOEGP-UHFFFAOYSA-N 414.506 3.242 0 40 HGAB C[C@@H](Sc1nnnn1-c1ccc(OC(F)(F)F)cc1)C(=O)NC1CCCCC1 5797131 FLDALBRILSJIGY-LLVKDONJSA-N 415.441 3.490 0 40 HGAB Cc1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1S(=O)(=O)N(C)C 6213981 MWUCXLRXKNOPSW-UHFFFAOYSA-N 404.513 3.199 0 40 HGAB COC(=O)c1c(NC(=O)C(=O)NCc2ccc(OC(C)C)cc2)sc2c1CCC2 6669665 QPOUKDDJOOUFQC-UHFFFAOYSA-N 416.499 3.066 0 40 HGAB COc1ccc2c(CC(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)coc2c1 7238844 FDGGHVGUAWPBEC-UHFFFAOYSA-N 414.483 3.407 0 40 HGAB COCCCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(OC)c(C(C)C)c1 7360638 RUQKQTNCPYYOQQ-UHFFFAOYSA-N 420.531 3.386 0 40 HGAB Cc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3cccc(Cl)c3C)CC2=O)cc1 7429576 KPYUKOZIOUUKCD-OAHLLOKOSA-N 400.862 3.492 0 40 HGAB C[C@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1)C1CC1 8183757 WULBQISWKNSLPA-AWEZNQCLSA-N 416.499 3.177 0 40 HGAB Cc1ccc(N2C(=O)N(c3ccc(Br)cc3)[C@H]3CS(=O)(=O)C[C@H]32)cc1 8768070 OKHWAVVJEYVCQF-SJORKVTESA-N 421.316 3.370 0 40 HGAB O=C(COC(=O)c1cc(-c2cccs2)nn1-c1ccccc1)NC[C@H]1CCCO1 8888695 ZCTJAJFURSXRLH-MRXNPFEDSA-N 411.483 3.053 0 40 HGAB COc1ccc(Nc2nc(N3CCOCC3)c3cnn(-c4ccccc4)c3n2)cc1 9573631 STRDELBOLPUUFN-UHFFFAOYSA-N 402.458 3.404 0 40 HGAB CCN(CC)C(=O)CSc1nnc(SCc2ccc(F)cc2Cl)n1N 9911234 HNWRONIKGQKCNV-UHFFFAOYSA-N 403.936 3.037 0 40 HGAB O=C(Cn1ccn2nc(-c3ccc(Cl)cc3)cc2c1=O)NCc1ccc(F)cc1 10232889 JTMVZRLVKBYVSG-UHFFFAOYSA-N 410.836 3.272 0 40 HGAB COc1cc(/C=C/C(=O)OCC(=O)Nc2cc(F)cc(F)c2)cc(OC)c1OC 10949198 RDDXNXXCESZWEW-SNAWJCMRSA-N 407.369 3.186 0 40 HGAB CCCOc1ccc([C@@H]2NC(=O)NC3=C2C(=O)N(CCc2ccc(OC)cc2)C3)cc1 12347103 IRBJOPIWGFRSGY-QFIPXVFZSA-N 421.497 3.177 0 40 HGAB C[C@H](Oc1ccc(Cl)cc1Br)C(=O)NCCNC(=O)c1ccco1 12746910 KEUCHGZDUGLOQS-JTQLQIEISA-N 415.671 3.009 0 40 HGAB Cc1ccc(S(=O)(=O)Nc2ccccc2F)cc1C(=O)N1C[C@H](C)O[C@@H](C)C1 12755188 LITPLVCDTIKKFZ-GJZGRUSLSA-N 406.479 3.184 0 40 HGAB COc1cc(C)c(NC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCC4)cc1OC 12770700 YTZQFBBWPCWZSE-UHFFFAOYSA-N 413.499 3.370 0 40 HGAB NC(=O)COC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccc(Cl)cc1 12794119 FLVXCKMYQSQZIG-UHFFFAOYSA-N 420.856 3.442 0 40 HGAB Cc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)NC[C@H]3CCCO3)c2)c(O)c1 12858451 ZPMREWJWBQDZMP-CQSZACIVSA-N 424.906 3.064 0 40 HGAB CCC(=O)N(c1nnc(SCC(=O)Nc2cc(C(C)(C)C)no2)s1)C1CC1 12915572 LIKPOSOMESZLNY-UHFFFAOYSA-N 409.537 3.460 0 40 HGAB Cc1ccc(S(=O)(=O)N(Cc2cc3ccccc3[nH]c2=O)C[C@@H]2CCCO2)cc1 13494424 YNUZQHFHAXAFEG-IBGZPJMESA-N 412.511 3.206 0 40 HGAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCCN(C)C)ccc2Cl)cc1C 13632370 MVEWBFIVIWPYTK-UHFFFAOYSA-N 423.966 3.439 0 40 HGAB CCCCCCNc1nc2c(c(=O)n(Cc3ccccc3Cl)c(=O)n2C)n1C 13750611 HCXMKSFROMKYGG-UHFFFAOYSA-N 403.914 3.128 0 40 HGAB CCOC(=O)NC(=O)CSc1nc2sc(C)c(-c3ccc(F)cc3)c2c(=O)[nH]1 13986728 VOJNGXHFGIIWIV-UHFFFAOYSA-N 421.475 3.464 0 40 HGAB COCCn1c(Cc2ccccc2)nnc1SCc1nc2ccsc2c(=O)[nH]1 14157331 RBIWIYUQEFUDFO-UHFFFAOYSA-N 413.528 3.106 0 40 HGAB COc1ccc(S(=O)(=O)N2CCc3cc4ccc(OC)cc4nc32)c(OC)c1 15842181 RWGWQCXAUVZDGJ-UHFFFAOYSA-N 400.456 3.012 0 40 HGAB O=C(NCc1ccc2c(c1)OCO2)[C@H]1CCCN1C(=O)Nc1ccc(Cl)cc1 15936112 YGIZEIIIMJRRQY-MRXNPFEDSA-N 401.850 3.381 0 40 HGAB O=C1Nc2ccccc2S[C@H]1CC(=O)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 17824696 NLHGUVXVGUPLHH-BEFAXECRSA-N 409.511 3.367 0 40 HGAB Cc1ccc(S(=O)(=O)Cc2csc(NC(=O)[C@@H](C)n3cc(Cl)cn3)n2)cc1 19211115 JUMBMUMQURSQNT-GFCCVEGCSA-N 424.935 3.475 0 40 HGAB COc1ccc2c(c1)cc(C(=O)N1CCC[C@@H]1Cn1nnc(-c3cccs3)n1)n2C 19289747 DWFFYHBJMOXWKY-OAHLLOKOSA-N 422.514 3.207 0 40 HGAB COC(=O)c1[nH]c2ccccc2c1NC(=O)[C@@H](C)N1CCN(C2CCCCC2)CC1 19372030 JWAJIOYGIZUNAH-MRXNPFEDSA-N 412.534 3.232 0 40 HGAB CN(C)C(=O)[C@]1(Cc2cccc(-c3ccccc3)c2)CN(C(=O)C2CCC2)CCO1 19580581 QOTOBRQBPAOTCH-VWLOTQADSA-N 406.526 3.382 0 40 HGAB COC1CCC(C(=O)N2CCC[C@@H]([C@@H]3C[C@H](C(F)(F)F)n4ncnc4N3)C2)CC1 19592563 BEVXWPUNNKPVOM-XTZTZFPZSA-N 415.460 3.010 0 40 HGAB CC1CCN(CCOc2ccccc2NC(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)CC1 19654899 AELWKMPGHSUQNU-GOSISDBHSA-N 401.551 3.383 0 40 HGAB COc1ccc(-c2cnc(N(C)C)nc2C2CCN(C(=O)C[C@@H]3CCCO3)CC2)cc1 19695229 NLNIPGRBWAKVNO-FQEVSTJZSA-N 424.545 3.493 0 40 HGAB CCSc1nc2nc3c(cn2n1)C(=O)C[C@@H](c1cc(OC)c(OC)c(OC)c1)C3 19816706 UEIIRHGDASHQSC-NSHDSACASA-N 414.487 3.175 0 40 HGAB CCC[C@H](C)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1cc(C)ccc1OC 20007296 ALLBFSFBJOSTQG-HKUYNNGSSA-N 418.559 3.198 0 40 HGAB O=C(CN(Cc1ccccc1)Cc1ccco1)NCC(=O)Nc1ccc(F)c(F)c1 21582104 PLWJJYPGPPCSFT-UHFFFAOYSA-N 413.424 3.315 0 40 HGAB Cc1ccc(-n2nc(C)c(NC(=O)CSc3nnnn3Cc3ccco3)c2C)cc1 21689060 VQAPCSMFJDKCAQ-UHFFFAOYSA-N 423.502 3.156 0 40 HGAB Nc1nc(CSc2nnnn2C[C@@H]2CCCO2)nc2sc3c(c12)CCCCC3 22283680 HPWGHZUAFGCYCN-NSHDSACASA-N 417.564 3.000 0 40 HGAB CC1CCN([C@@H](CNC(=O)c2ccc3c(c2)C(=O)N(C)C3=O)c2cccs2)CC1 22681413 FETKMTGICLBWTO-SFHVURJKSA-N 411.527 3.177 0 40 HGAB Cc1ccc([C@H](CNS(=O)(=O)c2ccc3c(c2)CCCC3)N2CCOCC2)cc1 23108017 LZMNNGBWPGVVNC-QHCPKHFHSA-N 414.571 3.226 0 40 HGAB Cc1nc2sc([C@H](c3ccc(Cl)cc3)N3CCC4(CC3)OCCO4)c(O)n2n1 23156950 NZUGJLXMEVJLHS-HNNXBMFYSA-N 420.922 3.387 0 40 HGAB CCNC(=O)c1cc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)ccc1OC 26112010 PTPRIBJDXQRAMX-UHFFFAOYSA-N 416.543 3.088 0 40 HGAB O=C1c2ccc(Br)cc2C(=O)N1CCC(=O)N(Cc1ccco1)C1CC1 29011764 RSENOTWIXPCZPH-UHFFFAOYSA-N 417.259 3.219 0 40 HGAB O=C(NC[C@@H](c1ccccc1Cl)N1CCOCC1)c1cc2ccccc2oc1=O 29805033 XAHDKTRWRBBZFP-IBGZPJMESA-N 412.873 3.250 0 40 HGAB Cc1oc(-c2ccccc2)nc1CC(=O)N1CCN(Cc2ccc3c(c2)CCO3)CC1 30013637 CAVVQLDVHRKGLJ-UHFFFAOYSA-N 417.509 3.472 0 40 HGAB O=C(OC[C@H]1O[C@@H](O)C[C@@H]1OC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 34545241 XJEOZSVPBFXRNX-GVDBMIGSSA-N 411.237 3.483 0 40 HGAB CCc1ccc(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@H](C(=O)c4ccc(C)cc4)[C@@H]3C2=O)cc1 35876944 ONUBWOOSJJPPIG-CBPXPLCBSA-N 402.494 3.393 0 40 HGAB COc1ccc([C@H]2[C@@H](C(=O)NCc3ccncc3)c3ccccc3C(=O)N2C)cc1 36359304 XOEBUAQPYSGJER-VXKWHMMOSA-N 401.466 3.317 0 40 HGAB Cc1cc(C(=O)NC[C@H](C)Cn2cccn2)c2c(C)nn(Cc3ccccc3)c2n1 36616554 QCLIBXNGVJICQE-INIZCTEOSA-N 402.502 3.359 0 40 HGAB COc1ccc(Cl)cc1S(=O)(=O)NCCCN1CCO[C@H](c2ccccc2)C1 36700329 KCPQEHMMCRCHMB-IBGZPJMESA-N 424.950 3.091 0 40 HGAB CN(Cc1ccc(C(N)=O)cc1)C(=O)c1ccc(-n2cc(Br)cn2)cc1 40086697 HBXRVWLKYYANNF-UHFFFAOYSA-N 413.275 3.006 0 40 HGAB COc1ccc(CNC(=S)NCc2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)cc1 40087581 DHMQELWHEVZHFK-ROUUACIJSA-N 413.587 3.469 0 40 HGAB O=C(CS(=O)(=O)Cc1ccc(Cl)c(Cl)c1)NCCOc1ccccc1 40105950 JXAJXUXAVGCUIS-UHFFFAOYSA-N 402.299 3.103 0 40 HGAB CCN(CC)CCOc1ccccc1CNC(=O)c1cccc(C[S@](C)=O)c1 40107649 CZMCDZYBRGNFSW-MUUNZHRXSA-N 402.560 3.216 0 40 HGAB C[C@@H]1C[C@@H](C)CN(CCCNC(=O)CCNC(=O)c2ccc(Br)cc2)C1 40118844 UWQBFPCCFVXFSN-HZPDHXFCSA-N 424.383 3.053 0 40 HGAB CCc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(Nc4ccc(F)cc4)[nH]c(=O)c32)cc1 40399633 JIYWCVLYFDFTJE-INIZCTEOSA-N 421.432 3.280 0 40 HGAB CC(C)CCn1c(=O)c2sccc2n(CC(=O)N[C@H]2CCc3ccccc32)c1=O 57426703 RZXNFDXSALSAPE-KRWDZBQOSA-N 411.527 3.075 0 40 HGAB O=C(Cn1cnc2ccc(Cl)cc2c1=O)NCc1ccccc1Br 57520029 IYOLBDAWLWMHAR-UHFFFAOYSA-N 406.667 3.129 0 40 HGAB CCOC(=O)c1cnn(-c2ccc(NC(=O)N(C[C@@H]3CCOC3)C3CC3)cc2)c1C 58162080 ITUCRTGEQNFSSV-INIZCTEOSA-N 412.490 3.390 0 40 HGAB Nc1cc(-n2cnnc2)ccc1N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 70461889 YSUTZLPIQWZQEJ-UHFFFAOYSA-N 417.300 3.119 0 40 HGAB C[C@H](OC(=O)CCS(=O)(=O)C1CCCC1)[C@@H]1CCCCN1C(=O)OC(C)(C)C 72310730 KJTHHBYAEFGVLD-RDJZCZTQSA-N 417.568 3.455 0 40 HGAB CCCCOCCN(c1cccc(Br)c1)S(=O)(=O)c1cn[nH]c1C 79047679 AFBDGRSSKFSDHN-UHFFFAOYSA-N 416.341 3.493 0 40 HGAB COc1ccc(/C=C2/SC(=O)N(CC(=O)N[C@@H]3CCCC[C@@H]3C)C2=O)cc1OC 89927682 WBNCKQLRAWTVIR-OCUXDJNSSA-N 418.515 3.435 0 40 HGAB CC(C)N1C(=O)C[C@@H](C(=O)NCCOCC(F)(F)F)[C@@H]1c1ccc(Cl)c(F)c1 95989083 DSQVQNAYYYVPBB-WBMJQRKESA-N 424.822 3.472 0 40 HGAB Cc1c(Cl)cccc1S(=O)(=O)N1CCC[C@H]1CS(=O)(=O)c1ccccc1 96025553 OKADZEACLXGZCM-HNNXBMFYSA-N 413.948 3.275 0 40 HGAB O=C1CS[C@H](c2cccc(OC(F)F)c2)c2c(O)nn(C3CCOCC3)c2N1 96117047 FLEWXXYYKXMHPV-OAHLLOKOSA-N 411.430 3.316 0 40 HGAB Cc1ccc(NC(=O)N2CCC3(CC2)CN(CC(C)C)C[C@@]32CCN(C)C2=O)cc1 96144215 JXFYELINCHREOO-XMMPIXPASA-N 412.578 3.429 0 40 HGAB O=C(NCCc1ccncc1)c1ccc2nnc3ncn(Cc4ccccc4)c3c2c1 96146574 PYIHCHGLHPGYNL-UHFFFAOYSA-N 408.465 3.395 0 40 HGAB O=C(c1cccs1)[C@@H]1[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@H]2CCCN12 101311929 GSWJGDVCOGRWDV-SIXLDLHFSA-N 400.887 3.237 0 40 HGAB CCc1ccccc1N1C(=O)C[C@@H](c2c(C)nn(-c3nc4ccccc4[nH]3)c2O)C1=O 101984012 LNAJHVVCOMEJEX-HNNXBMFYSA-N 415.453 3.372 0 40 HGAB CC(C)(C)OC(=O)[C@H]1C(=O)C[C@@](C)(O)[C@H](C(=O)OC(C)(C)C)[C@@H]1c1cccc(O)c1 101998750 AGQCMGOCQVNZSM-SCYDXJQRSA-N 420.502 3.115 0 40 HGAB C[C@H](C(=O)Nc1ccccc1C(F)(F)F)N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O 102085782 FEYUASDLODHQMK-LDVOQTJESA-N 404.388 3.086 0 40 HGAB O=C(Nc1ccccc1C(=O)O)c1cccc(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)c1 102536514 FRNXLGHVWWLBGZ-OYUDYFSCSA-N 404.422 3.173 0 40 HGAB C[C@H](C(=O)Nc1ccc(Br)cc1Cl)N1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O 222460689 LWNFBBHZXRVXCF-BVDPADPGSA-N 423.694 3.237 0 40 HGAB CN(C)CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccccn1 223212370 OHHHFYAQOIDZFC-LEWJYISDSA-N 406.559 3.192 0 40 HGAB COc1ccc(S(=O)(=O)NCCOc2cc(C)cc(C)c2)cc1Br 224074434 VMIYFQUZWVXWCZ-UHFFFAOYSA-N 414.321 3.432 0 40 HGAB CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NC(C)(C)Cc1ccccc1 224527255 CPIAHECKRQLWLS-HXUWFJFHSA-N 418.559 3.377 0 40 HGAB CCOC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)sc(=O)n3CC)c(C)c1 225692861 AMRSZKJDUKNWQR-UHFFFAOYSA-N 420.512 3.369 0 40 HGAB COc1ccc2c(c1)C(=O)CC1(CCN(S(=O)(=O)Cc3ccccc3)CC1)O2 225821434 TZTYFEDORFEYJD-UHFFFAOYSA-N 401.484 3.025 0 40 HGAB CC(C)[C@H](C)NC(=O)[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1 260903903 QYBRJRLOHIMRAP-IFXJQAMLSA-N 422.934 3.457 0 40 HGAB COc1ccc(CN2CCC3(CC2)CN(C)C(=O)c2cnc(C(C)(C)C)nc23)cc1 306144954 ZTECNKPARIIFHT-UHFFFAOYSA-N 408.546 3.402 0 40 HGAB C[C@H](NC(=O)Oc1ccccc1)C(=O)Nc1ccc(I)cc1 408736809 IHXWQCCAMHMBGR-NSHDSACASA-N 410.211 3.407 0 40 HGAB NC(=O)C[C@H](NC(=O)Oc1ccccc1)C(=O)Nc1ccc(-c2ccccc2)cc1 409001060 GHPWERHUPSOSIU-FQEVSTJZSA-N 403.438 3.325 0 40 HGAB Cc1cccc(N(CC(=O)NCCSCc2ccccc2C)S(C)(=O)=O)c1 409025320 TUSCKTISSQRTPN-UHFFFAOYSA-N 406.573 3.119 0 40 HGAB O=C(NCc1ccc(F)c(F)c1)c1cccc(C(=O)NCc2ccc(F)c(F)c2)n1 510152380 VMECOAUUQACLKX-UHFFFAOYSA-N 417.362 3.498 0 40 HGAB C[C@@]1(C(=O)Nc2ccc3c(c2)OCO3)CCC(=O)N1CCc1c[nH]c2ccccc12 575443687 HUSCRQYRBUGDMK-QHCPKHFHSA-N 405.454 3.459 0 40 HGAB CN1CCC[C@@H](CNC(=O)c2ccc(-n3cnnn3)cc2Cl)[C@H]1c1cccs1 607538719 KEZGQOMSPVCFEZ-UGSOOPFHSA-N 416.938 3.190 0 40 HGAB CC(C)NC(=O)N1C[C@H]2CC[C@H](CNC(=O)CCc3ccc[nH]3)N2Cc2ccccc21 2055747106 ITRHQEOMACGRAG-NHCUHLMSSA-N 423.561 3.035 0 40 HGAB CCC(CC)NC(=O)[C@@H]1C[C@]2(CO1)CN(Cc1cccc(C(F)(F)F)c1)CCO2 2056225061 AGUALROGFFEIFR-AZUAARDMSA-N 414.468 3.370 0 40 HGAB COc1cc(OC)cc(-c2nnc(SCC(=O)Nc3ccccc3OC)o2)c1 818536 GFJVYMKWEDDEKZ-UHFFFAOYSA-N 401.444 3.493 0 40 HGAB O=C(Nc1ccc(S(=O)(=O)Nc2cnc3ccccc3n2)cc1)c1cccnc1 997732 SJWFISQOHAAHBI-UHFFFAOYSA-N 405.439 3.078 0 40 HGAB CC(C)(C)OC(=O)COC(=O)/C=C/c1ccc(S(=O)(=O)N2CCCCCC2)cc1 2661104 ZNERSFDJXAWLGE-JLHYYAGUSA-N 423.531 3.149 0 40 HGAB Cc1cc(OC[C@@H](O)CNC[C@@H](O)COc2ccc(Cl)c(C)c2)ccc1Cl 2685830 BTNURVOOMFXKRL-IYBDPMFKSA-N 414.329 3.379 0 40 HGAB COc1ccccc1NC(=O)COC(=O)[C@@H](NC(=O)c1ccc(Cl)cc1)C(C)C 3249962 OQWRUCLSPWFCEU-IBGZPJMESA-N 418.877 3.285 0 40 HGAB COc1ccc(C2=C(c3ccc(OC)cc3)N3CCS(=O)(=O)N=C3S2)cc1 3272798 TZKOLZOMCNWZAZ-UHFFFAOYSA-N 402.497 3.278 0 40 HGAB CCc1cccc(CC)c1NC(=O)CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O 3367674 YAAQXIPVCFBGBR-FQEVSTJZSA-N 418.497 3.394 0 40 HGAB CCOc1ccc2[nH]c(=O)c(CN(C(=S)NCCOC)C3CCCC3)cc2c1 4133093 TYYIFSDFKABBEL-UHFFFAOYSA-N 403.548 3.192 0 40 HGAB O=C(Cc1cccs1)N(c1ccc(Br)cc1)[C@@H]1C=CS(=O)(=O)C1 4165575 DHALSZMEQBVMLF-CQSZACIVSA-N 412.330 3.397 0 40 HGAB CCCCc1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc4c(c3)OCO4)C2=O)cc1 4787976 GDGCDZSVBSRCGD-QHCPKHFHSA-N 423.469 3.164 0 40 HGAB Cc1ccc(C(=O)N/C(=C\c2cn(C)c3ccccc23)C(=O)OCCN(C)C)cc1 5054836 HJWZKLATRQRKHT-QNGOZBTKSA-N 405.498 3.362 0 40 HGAB CC(C)NC(=O)NCc1ccc(C(=O)O[C@H](C)c2nc3ccccc3c(=O)[nH]2)cc1 5185754 LDLUIYXACSRFEI-CQSZACIVSA-N 408.458 3.049 0 40 HGAB COc1ccc(NC(=O)Cn2nc(-c3ccc(Br)cc3)ccc2=O)cc1 5398019 ANQMZDXTRTVVIK-UHFFFAOYSA-N 414.259 3.320 0 40 HGAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2cccc(NC(C)=O)c2)c1C 5989878 KVZVLVLYSQCRNN-ZDUSSCGKSA-N 400.431 3.195 0 40 HGAB CCc1ccccc1NC(=O)CSc1nnc(CC(=O)Nc2ccccc2)n1C 6356439 XRDDQCQWCGAXOM-UHFFFAOYSA-N 409.515 3.290 0 40 HGAB CCc1cc(=O)oc2cc(O[C@@H](C)C(=O)NCCCn3ccnc3)c(Cl)cc12 6658765 DUJGYOQWDMWGCL-ZDUSSCGKSA-N 403.866 3.179 0 40 HGAB Cc1ccc(S(=O)(=O)N(C)C)cc1NS(=O)(=O)c1ccc2ccccc2c1 7056989 RQSOJUMPAAJSAD-UHFFFAOYSA-N 404.513 3.199 0 40 HGAB COc1ccc2nc(SCC(=O)NCCc3ccc(OC)c(OC)c3)[nH]c2c1 7344249 UGSHRFIHIFGKCE-UHFFFAOYSA-N 401.488 3.040 0 40 HGAB C[C@@H]1Cc2cc(C(=O)Nc3ccc(Br)cc3)ccc2N1S(C)(=O)=O 7666844 KHTDYTSXRQVZBV-LLVKDONJSA-N 409.305 3.412 0 40 HGAB CCc1ccccc1NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCC1 7724071 QVNABIYJUFJNTA-UHFFFAOYSA-N 401.532 3.352 0 40 HGAB CCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)C(=O)c1ccc2c(c1)CCC2 7810644 YUDCBTCFZIPLAQ-UHFFFAOYSA-N 407.470 3.091 0 40 HGAB COc1ccc(OC)c(N2C[C@@H](C(=O)O[C@@H](C)C(=O)c3ccc(C)cc3)CC2=O)c1 7881556 NVXWSLPSOFSXCM-RDJZCZTQSA-N 411.454 3.180 0 40 HGAB CN(CC(=O)Nc1ccc(Cl)cc1)C(=O)CCNC(=O)c1ccc(Cl)cc1 8293094 QWVFQNCMDQVGBD-UHFFFAOYSA-N 408.285 3.210 0 40 HGAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)Cn2c(C)nc3ccccc3c2=O)c1 8509955 IJXAHNCZONVEEG-FQEVSTJZSA-N 407.470 3.086 0 40 HGAB Cn1c(SCc2cc(-c3cccs3)on2)nc2cc(S(N)(=O)=O)ccc21 8710067 JNDZTGPQPOOOEE-UHFFFAOYSA-N 406.514 3.230 0 40 HGAB CCOc1ccc(NC(=O)COc2cccc3ccc(N4CCOCC4)nc23)cc1 8769577 YEOZJNPTJKNLJY-UHFFFAOYSA-N 407.470 3.488 0 40 HGAB Cc1ccc2nc(COC(=O)Cn3c(C(F)(F)F)nc4ccccc43)cc(=O)n2c1 8826099 BNEJXAUVKRHJSJ-UHFFFAOYSA-N 416.359 3.115 0 40 HGAB CNC(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2)cc1 9284458 SDVGLVSSNACHKO-UHFFFAOYSA-N 423.494 3.408 0 40 HGAB Nn1c(SCC(=O)Nc2cccc(Br)c2)nnc1-c1cccc(F)c1 9800834 HCVTZEUZJRWFTD-UHFFFAOYSA-N 422.283 3.291 0 40 HGAB CCOc1ccc([C@H]2c3c(/C=C/c4ccccc4)nnc(O)c3Nc3nnnn32)cc1 10298038 OQERFZAQUKTQJD-BNCSFYMNSA-N 413.441 3.433 0 40 HGAB COc1ccc(S(=O)(=O)Oc2ccc(C)c3c2C(=O)C[C@@H]3C)cc1NC(C)=O 10664523 VRGLJGZVSDFCQE-LBPRGKRZSA-N 403.456 3.420 0 40 HGAB COc1cccc(COc2coc(C(=O)N3CCN(c4ccccc4)CC3)cc2=O)c1 11856917 JYMNSLDEKZKFMZ-UHFFFAOYSA-N 420.465 3.190 0 40 HGAB O=C(Cc1cccs1)Nc1cc(-c2ccco2)nn1-c1nc2c(c(=O)[nH]1)CCCC2 12010468 DFPWEWKASHGOQH-UHFFFAOYSA-N 421.482 3.337 0 40 HGAB CCCCN1C(=O)[C@H]2ON(c3ccccc3)[C@@H](c3ccc(OC)cc3OC)[C@@H]2C1=O 12017354 IXQNZHPLCJRLSM-ACRUOGEOSA-N 410.470 3.350 0 40 HGAB COc1ccc2c(c1)NC1(CCN(C(=O)c3cnn4cccnc34)CC1)c1cccn1-2 12117293 SGDBHQIYHDXYKN-UHFFFAOYSA-N 414.469 3.086 0 40 HGAB Cc1ccc(NC(=O)[C@@H]2Nc3cc(C(F)(F)F)ccc3S(=O)(=O)N2)cc1Cl 12414574 DWWBFLKZILDWQQ-CQSZACIVSA-N 419.812 3.336 0 40 HGAB O=C(c1cccc(S(=O)(=O)Nc2ccc(Br)cc2)c1)N1CCCC1 12526398 KOWMBVAFLVUTIC-UHFFFAOYSA-N 409.305 3.486 0 40 HGAB CSCC[C@@H](CO)NC(=O)CCc1c(C)c2cc3c(C)coc3cc2oc1=O 12901096 JDKOOQMEBDQUSJ-AWEZNQCLSA-N 403.500 3.319 0 40 HGAB biogenic COc1ccc(OC)c(NC(=O)COc2ccc3nc4n(c(=O)c3c2)CCCCC4)c1 12901477 IAUFTKHVHVGKEC-UHFFFAOYSA-N 423.469 3.158 0 40 HGAB biogenic CN(Cc1ccc2c(c1)OCO2)C(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1 12945661 KYHJTBZKXLCNRN-CSKARUKUSA-N 406.482 3.326 0 40 HGAB CC(C)C[C@H]1NC(=O)N(CN(Cc2nnc(-c3ccc(Cl)cc3)o2)C2CC2)C1=O 12993585 RQRBZAWGSKRQGP-MRXNPFEDSA-N 417.897 3.278 0 40 HGAB COc1ccc(NC(=O)C(=O)NCCc2ccc3c(c2)CCCN3C)cc1Cl 13006828 NKUSTTZEVILPJV-UHFFFAOYSA-N 401.894 3.028 0 40 HGAB C[C@@H]1CC(=O)c2cnc(NC(=O)CSc3nc(O)cc(-c4ccccc4)n3)nc2C1 13636066 IPTNGKGXMZNUGF-LBPRGKRZSA-N 421.482 3.135 0 40 HGAB O=C(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)Nc1ccc(Br)c(Cl)c1 13688866 QMQHPTODTFEURV-TXEJJXNPSA-N 411.683 3.382 0 40 HGAB CCOC(=O)c1cnn(-c2cc(C)nc3c(-c4ccc(F)cc4)c(CC)nn23)c1N 13720844 YXRCDBREOHFRHL-UHFFFAOYSA-N 408.437 3.351 0 40 HGAB c1ccc(Cn2c(SCc3ccc4c(c3)OCO4)nnc2N2CCOCC2)cc1 14112980 OCXQJCDGMXRTCK-UHFFFAOYSA-N 410.499 3.184 0 40 HGAB Cc1nn(CC(=O)c2cccs2)c(C)c1S(=O)(=O)N1CCc2ccccc21 14185188 YWKPHGHGXKUAGG-UHFFFAOYSA-N 401.513 3.196 0 40 HGAB NC1=Nc2nc3ccccc3n2[C@@H](c2ccc(OCc3cn4ccccc4n3)cc2)N1 15502208 LWEHHYJVKDNRAQ-NRFANRHFSA-N 409.453 3.359 0 40 HGAB O=C(NCc1ccc(CN2CCOCC2)cc1)c1cc(=O)c2cc(Cl)ccc2o1 16680365 RKDQEOYAIOCQME-UHFFFAOYSA-N 412.873 3.209 0 40 HGAB Cc1cc(C)c2nc(Nc3nc(CSc4ncccn4)cc(=O)[nH]3)nc(C)c2c1 17879274 WPLLKAWRMGPZNJ-UHFFFAOYSA-N 405.487 3.464 0 40 HGAB Cc1ccc(C)c([C@@H](NC(=O)Cc2ccc(-n3nnnc3C)cc2)c2ccncc2)c1 19132274 PXEHUOCYTHURSQ-DEOSSOPVSA-N 412.497 3.431 0 40 HGAB CCOc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](c2ccc(Cl)cc2)N2CCCN32)cc1 19166882 FKESPDMCVYWJEE-AABGKKOBSA-N 411.889 3.274 0 40 HGAB Cn1ccnc1C(=O)N1CC[C@@H]2[C@H](C1)[C@@H](c1ccsc1)CN2C(=O)c1ccccc1 19291174 ISNRKJYCGKEDLD-VAMGGRTRSA-N 420.538 3.252 0 40 HGAB O=C(c1cccnc1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CN(C1CCCCC1)CC2 19337644 NJWOHLZSGDYNHW-NRFANRHFSA-N 421.545 3.223 0 40 HGAB CC[C@@H]1C[C@H](C(F)(F)F)n2nc(C3CCN(C(=O)c4ccn(C)n4)CC3)cc2N1 19520826 CJGQDGQNXRLGPG-CZUORRHYSA-N 410.444 3.334 0 40 HGAB COc1ccccc1CCC(=O)N1CCCC[C@@H]1c1nc(C)c2c(n1)N(C)C(=O)CC2 19703391 DRZRQBJLPCDPMY-LJQANCHMSA-N 422.529 3.389 0 40 HGAB Cc1cnn(CC(=O)N2CCC(c3ccc(C(=O)Nc4ccc(F)cc4)cn3)CC2)c1 19705841 OZEFJFKKGAZBFM-UHFFFAOYSA-N 421.476 3.384 0 40 HGAB O=S(=O)(Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)c1ccc(Cl)cc1 20041180 KRDHBEZJQVJEKM-UHFFFAOYSA-N 423.903 3.337 0 40 HGAB CCOc1ccc([C@@H](C)NS(=O)(=O)c2ccc(OC)c(N3CCCC3=O)c2)cc1 20460822 ZMTUBXRYZKLIBZ-OAHLLOKOSA-N 418.515 3.260 0 40 HGAB CCOc1ccc2nc(NC3=NCN(Cc4ccccc4OC)CN3)nc(C)c2c1 20634219 OHXGPVBRMCNWKP-UHFFFAOYSA-N 406.490 3.134 0 40 HGAB COc1cccc(C(=O)Nc2nc(-c3ccc(N(C)S(C)(=O)=O)cc3)cs2)c1 21769813 ZZMLZHGYRNMJNR-UHFFFAOYSA-N 417.512 3.467 0 40 HGAB C[C@@H]1C[C@@H]2[C@H](C[C@H](O)[C@@]3(Cl)[C@@H]2CCC2=CC(=O)C=C[C@@]23C)[C@@]1(O)C(=O)CCl 22001673 FSYKOOROHIBYBP-NTDLJCHVSA-N 413.341 3.021 0 40 HGAB CN(Cc1ccc(C(F)(F)F)cc1)CN1C(=O)C(=O)N(Cc2ccccc2)C1=O 22834527 FHVABCPZMJNXLH-UHFFFAOYSA-N 405.376 3.086 0 40 HGAB CC(C)Cn1c(=O)[nH]c(=O)c2c(C(=O)N3c4ccccc4C[C@@H]3C)cc(C(C)C)nc21 24442480 MCPMSNCBUNEJJS-HNNXBMFYSA-N 420.513 3.456 0 40 HGAB C[C@H](NC(=O)CN1C(=O)NC2(C1=O)[C@H](C)CCC[C@H]2C)c1ccc2c(c1)CCCC2 24758860 KBAZNBKUNVKWSN-ZACQAIPSSA-N 411.546 3.489 0 40 HGAB Cc1nn(-c2ccccc2)c(Cl)c1CN1c2ccc(S(N)(=O)=O)cc2C[C@@H]1C 27556910 HFQSRHVGYRMGFN-ZDUSSCGKSA-N 416.934 3.433 0 40 HGAB O=C(N[C@@H](Cc1ccccc1)C(=O)NC[C@@H]1COc2ccccc2O1)c1cccs1 31038524 VXMBOKOMMBMPCK-MSOLQXFVSA-N 422.506 3.045 0 40 HGAB CCOc1ccc(C(=O)CSc2ccc(S(=O)(=O)N3CCCC3)cn2)cc1 31754494 PULFOSXXLUDOHY-UHFFFAOYSA-N 406.529 3.240 0 40 HGAB CCCCCNC(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(Cl)c2)CC1 32439125 YDODXJBEWSCMOE-UHFFFAOYSA-N 402.944 3.056 0 40 HGAB C[C@@H](OC(=O)c1cc(-c2ccc3c(c2)OCCO3)nc2ccccc12)C(=O)NC1CC1 32666161 KPNVHLUDRNWHQE-CQSZACIVSA-N 418.449 3.497 0 40 HGAB Cc1ccc2[nH]cc(CCN3C[C@@H](C(=O)NCCc4ccc(F)cc4)CC3=O)c2c1 35558714 HBRFBSAJQGLGIC-IBGZPJMESA-N 407.489 3.365 0 40 HGAB O=C(NCc1cccc(CN2CCOCC2)c1)C1CCN(Cc2ccccc2)CC1 38831189 VOXYARQBNLCVRU-UHFFFAOYSA-N 407.558 3.047 0 40 HGAB CCN(CC)C(=O)CSc1nc2ccsc2c(=O)n1Cc1ccccc1OC 57425553 XHDMGHMWHZBNJB-UHFFFAOYSA-N 417.556 3.475 0 40 HGAB CC(C)(CN1CCN(c2cccc(Cl)c2)CC1)NS(=O)(=O)c1ccccc1 57537182 HFECHKCRDJJTKN-UHFFFAOYSA-N 407.967 3.219 0 40 HGAB Cc1ccc(S(=O)(=O)Nc2ccc(C)c(-n3nnnc3C)c2)c(Br)c1 58332312 FJABKSUZOUIQOB-UHFFFAOYSA-N 422.308 3.151 0 40 HGAB Cc1nnc2c(=O)n(CC(=O)Nc3ccccc3C(F)(F)F)c3ccccc3n12 64871464 NJHRAANZXTWQJH-UHFFFAOYSA-N 401.348 3.010 0 40 HGAB CCOc1ccccc1NC(=O)c1nnn(CC(=O)Nc2ccc(C)c(F)c2)c1C 71326976 ZOSVCJGKCWUYJL-UHFFFAOYSA-N 411.437 3.324 0 40 HGAB Cc1ccc(CNC(=O)c2cn(-c3cc(-c4nc(C5CC5)no4)ccn3)cn2)cc1 71768423 VOTHBOLNXXOUOK-UHFFFAOYSA-N 400.442 3.433 0 40 HGAB C[C@@H](OC(=O)[C@H]1Cc2ccccc2C(=O)O1)C(=O)Nc1ccc(N2CCCCC2)cc1 71863294 ZPJOJZQKKIXLRD-IIBYNOLFSA-N 422.481 3.329 0 40 HGAB O=C(Cn1nc2c3ccccc3nc(C3CC3)n2c1=O)N1CCC[C@@H]2CCCC[C@@H]21 72347200 PKTBIENOZPBPLP-KXBFYZLASA-N 405.502 3.103 0 40 HGAB Cc1nc2sccn2c1CN1CCC[C@@H](c2cc(=O)[nH]c(-c3ccccn3)n2)C1 72393255 NBCRUIJHCZIASV-OAHLLOKOSA-N 406.515 3.229 0 40 HGAB Cc1csc(CN2CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)n1 78802948 LYPYWBPKIJOERJ-UHFFFAOYSA-N 406.360 3.265 0 40 HGAB Cc1cc(Br)ccc1NC(=O)CNc1ccc2c(c1)N(C)C(=O)CO2 78936333 WHFUJAHBOHEAPK-UHFFFAOYSA-N 404.264 3.163 0 40 HGAB CN1CCO[C@H]([C@H](NC(=O)c2c(Cl)nc3ccccn23)c2ccc(Cl)cc2)C1 95451948 OYXYCKZXYSMSHV-DOTOQJQBSA-N 419.312 3.443 0 40 HGAB COCc1cc(=O)c(O)c([C@@H](CC(=O)OC)c2ccc(OC(F)(F)F)cc2)o1 96117244 LKBCZPOFOIOIEU-ZDUSSCGKSA-N 402.321 3.085 0 40 HGAB CNC(=O)C[C@H]1CC2(CCN(S(=O)(=O)c3cccs3)CC2)c2ccccc21 96241904 WQBGNRIIRWTQJA-HNNXBMFYSA-N 404.557 3.094 0 40 HGAB C[C@H](Nc1nc(N(C)C)cc(C(F)(F)F)n1)c1ccc(OCC(=O)NC2CC2)cc1 97476669 OVYYGMKRXRPPFN-LBPRGKRZSA-N 423.439 3.392 0 40 HGAB CN1CCC2(CC1)Nc1cc(F)c(F)cc1-c1nc(=O)c(-c3ccc(F)cc3)nn12 102348723 GYTCYPLKOBKBSC-UHFFFAOYSA-N 413.403 3.194 0 40 HGAB COc1cccc(C(=O)Oc2ccc(N3C(=O)[C@@H]4[C@@H]5C=C[C@H]([C@H]6C[C@@H]65)[C@H]4C3=O)cc2)c1 102714539 SLTBMMZTCUCZOM-CGXUPHRESA-N 415.445 3.472 0 40 HGAB Cc1cc(C)n(-c2ccc(COC(=O)CCN3C(=O)[C@H]4CCCC[C@@H]4C3=O)cc2)n1 103978331 ZZSMOYSUEYZPME-PMACEKPBSA-N 409.486 3.098 0 40 HGAB O=C(O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Br)cc1 113874276 CEXUNTBWNQQRFQ-UHFFFAOYSA-N 404.669 3.382 0 40 HGAB CC[C@@H](C(=O)Nc1ccc(C(=O)OC)cc1)N(c1cc(C)ccc1C)S(C)(=O)=O 220533198 SGVIYBIFSQWBPS-SFHVURJKSA-N 418.515 3.273 0 40 HGAB COC(=O)CSc1nnc(NC(=O)CSCc2c(F)cccc2Cl)s1 224064735 NKUNEPWPAQGFDH-UHFFFAOYSA-N 421.928 3.468 0 40 HGAB O=C(NCCSC1CCCCC1)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 225505669 PQZNGHCVSPFMMR-QGZVFWFLSA-N 410.605 3.269 0 40 HGAB Cc1n[nH]c(C)c1Nc1cnn(C23C[C@@H]4CC(C[C@H](C4)C2)[C@H]3C(=O)O)c(=O)c1Cl 245232073 OZTYZVCHJQSJBN-SKBLNUNPSA-N 417.897 3.216 0 40 HGAB C[C@@H]1CCC[C@]2(C)C[C@@H]3OC(=O)[C@H](CN4CCN(C(=O)c5ccco5)CC4)[C@H]3C=C12 248335196 MQSZZIBOTGMDJA-ZKUMWFFHSA-N 412.530 3.352 0 40 HGAB Cc1cccc(C)c1NC(=O)CN1CCC2(CC1)CCC(C)(C)N(S(C)(=O)=O)C2 257275291 NORQMNTZLQVQER-UHFFFAOYSA-N 421.607 3.158 0 40 HGAB CCN(CC)C(=O)c1c[nH]nc1[C@H]1CCCN(C(=O)CCc2ccccc2F)C1 257291973 QJLVPLWMYZAQOU-KRWDZBQOSA-N 400.498 3.370 0 40 HGAB Cc1cc(C)c(S(=O)(=O)N2CCC[C@H](C(=O)NCCc3ccccc3)C2)c(C)c1 408551026 GTAAQTWOUIDZHA-NRFANRHFSA-N 414.571 3.371 0 40 HGAB COc1ccc(C)cc1S(=O)(=O)N[C@@H](C)C(=O)Nc1ccc(C(F)(F)F)cc1 408556484 DARHXNVWMOVKHJ-LBPRGKRZSA-N 416.421 3.328 0 40 HGAB CCOc1ccc(S(=O)(=O)NCc2ccco2)cc1NC(=O)c1ccccc1 408559495 MGKAKYYUEVIDJS-UHFFFAOYSA-N 400.456 3.409 0 40 HGAB Cc1ccc(C(=O)N2CC(=O)Nc3ccccc32)cc1S(=O)(=O)Nc1ccccc1 408627166 YEXSJWCLQACLAD-UHFFFAOYSA-N 421.478 3.395 0 40 HGAB Cc1ccc(N(CC(=O)N2CCOCC2)S(=O)(=O)c2ccc(Cl)cc2)cc1C 409138693 GQBYCFFHXDFFQZ-UHFFFAOYSA-N 422.934 3.011 0 40 HGAB Cn1cc(CN2CC[C@@](C)(O)[C@@H](NC(=O)CC(C)(C)C)[C@@H]2c2cccs2)cn1 514289948 PDWZIMNBLDLILV-IRFCIJBXSA-N 404.580 3.101 0 40 HGAB biogenic,in-vitro O=C(c1cc(Cl)ccc1O)N1CCc2ncc(-c3cnn(C(F)F)c3)n2CC1 585111431 UEQBAGQPSRDIOJ-UHFFFAOYSA-N 407.808 3.199 0 40 HGAB CN1C(=O)[C@@H](S(=O)(=O)c2ccc(F)cc2)[C@H]2C[C@@]1(C)Oc1ccc(Cl)cc12 585148669 WEYDCBFTDCRQKT-VDZJLULYSA-N 409.866 3.376 0 40 HGAB Cc1cc(Nc2ncc(C)s2)nc(C2CCN(C(=O)[C@H](N)CC(C)C)CC2)n1 585263357 DQUQJONEJMGLLD-MRXNPFEDSA-N 402.568 3.373 0 40 HGAB O=C(c1ccc(-n2cccc2)cc1)N1CC[C@@H](Oc2ncc(Br)cn2)C1 606440800 DAGYNIARMPEQQG-QGZVFWFLSA-N 413.275 3.323 0 40 HGAB CC1=C(C(=O)OCC(C)C)[C@H](c2cc3c(cc2Br)OCO3)NC(=O)N1 823560 RGYMORXGQYQPKE-HNNXBMFYSA-N 411.252 3.005 0 40 HGAB O=C(O)c1ccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)OCC(F)(F)C(F)F)cc1 969109 WXCHDETYVQEOEU-CHWSQXEVSA-N 403.328 3.349 0 40 HGAB CN(C)C[C@H](O)CN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccccc1 1829056 LIHDYPZAJXATFM-AWEZNQCLSA-N 403.331 3.111 0 40 HGAB O=C(CN1CC[C@]2(O)CCCC[C@@H]2[C@H]1c1ccc2c(c1)OCO2)NCc1ccccc1 2097910 OAPSQBRBZODEOZ-NIJXNBFTSA-N 422.525 3.400 0 40 HGAB biogenic Nn1c(SCC(=O)Nc2cccc(Br)c2)nnc1-c1ccc(F)cc1 2445675 WTYAWFJAMXXWQF-UHFFFAOYSA-N 422.283 3.291 0 40 HGAB Cc1ccc(S(=O)(=O)c2nc(-c3ccc(F)cc3)oc2N2CCOCC2)cc1 2497624 ZEPYSAKWRNKEKA-UHFFFAOYSA-N 402.447 3.459 0 40 HGAB O=c1cc(CN2CCN(c3ccc(O)cc3)CC2)nc2scc(-c3ccccc3)n12 3284238 GRHHVJNBLUNOKZ-UHFFFAOYSA-N 418.522 3.451 0 40 HGAB CC(=O)Nc1ccc(NC(=O)COC(=O)CCC(=O)c2ccc(Cl)cc2)cc1 3402819 ZZVDWJBFUPJGDQ-UHFFFAOYSA-N 402.834 3.443 0 40 HGAB CCOC(=O)C(=O)Nc1cc(OCC)c(NC(=O)c2cccs2)cc1OCC 4214736 CMBHLFJGHITWQJ-UHFFFAOYSA-N 406.460 3.299 0 40 HGAB CCOc1ccc(C(=O)Nc2sc3c(c2C(=O)OC)CCN(C(C)=O)C3)cc1 4281120 PNZOJKGYAXTMCW-UHFFFAOYSA-N 402.472 3.090 0 40 HGAB COc1c(Cl)cc(Cl)cc1[C@@H](c1nnnn1-c1ccccc1C)N(C)C=O 4322958 PTJYLVLHNWLNJE-INIZCTEOSA-N 406.273 3.464 0 40 HGAB CC(=O)c1ccc(NC(=O)CSc2ccc3nnc(-c4ccncc4)n3n2)cc1 4328070 NRYZHJWIHVAUQF-UHFFFAOYSA-N 404.455 3.120 0 40 HGAB CCCOc1ccccc1[C@H]1C(C(=O)Nc2ccccc2OC)=C(C)Nc2nnnn21 4368776 OLGSOCVZUHMHAZ-FQEVSTJZSA-N 420.473 3.398 0 40 HGAB O=C(Cn1ccn(-c2cccc3ccccc23)c(=O)c1=O)Nc1cccc(Cl)c1 4570036 GCJMTQNZRKRCRP-UHFFFAOYSA-N 405.841 3.445 0 40 HGAB CCC[C@]1(C(=O)OCC)N[C@@H](c2ccccc2F)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 4885602 BMJHXWPMQWXXQF-XHOYROJHSA-N 424.472 3.378 0 40 HGAB CNC(=O)NC(=O)[C@@H](Sc1nc(C2CC2)n(-c2ccccc2)n1)c1ccccc1 4935854 AUIMGRZHVRFTJI-KRWDZBQOSA-N 407.499 3.434 0 40 HGAB CCN(CC)CCn1c2c(c(SCC(=O)Nc3ccccc3)nc1=O)CCCC2 5254353 SKEUHQHOQZIYSH-UHFFFAOYSA-N 414.575 3.195 0 40 HGAB COc1cccc(OC)c1C(=O)NC(=S)Nc1ccc(NC(=O)C(C)C)cc1 6325129 CBJBHFHEKVHBNR-UHFFFAOYSA-N 401.488 3.425 0 40 HGAB Cc1ccc(NC(=O)c2nnn(CC(=O)Nc3ccc(C(C)C)cc3)c2N)c(C)c1 6999400 RFFUZWKKZRRAED-UHFFFAOYSA-N 406.490 3.492 0 40 HGAB COc1cc2c(cc1OC)CN(C(=O)CNc1ccc(Br)cc1)CC2 7115696 IPXRAHHGDRKYPJ-UHFFFAOYSA-N 405.292 3.463 0 40 HGAB Cc1cc(OCC(=O)OCC(=O)N[C@H](C)c2ccc3c(c2)OCCO3)ccc1Cl 7699138 HQESDTAFXIZXQX-CQSZACIVSA-N 419.861 3.219 0 40 HGAB C[C@@H](NC(=O)CSc1nc2ncc(Cl)cc2[nH]1)c1ccc2c(c1)OCCO2 7735468 HPUHCZQTJZGSRF-SNVBAGLBSA-N 404.879 3.352 0 40 HGAB C[C@]1(C2CC2)NC(=O)N(CC(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)C1=O 7737400 DUVNLWXXZBHSNV-SIKLNZKXSA-N 411.889 3.266 0 40 HGAB CC(=O)N[C@H](CC(=O)NCC(=O)Nc1cc(Cl)ccc1Cl)c1ccccc1 8314912 IWZQIZABVVMBKH-MRXNPFEDSA-N 408.285 3.316 0 40 HGAB C[C@@H]1CCN(C(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)c2ccccc2S1 8323827 JFMQNZIPUIOUMW-CMJOXMDJSA-N 421.522 3.297 0 40 HGAB Cc1nnc(NC(=O)CSc2nnc3ccc(-c4ccc(Cl)cc4)nn23)s1 9240475 DNHZLKOKOHOMHS-UHFFFAOYSA-N 417.907 3.335 0 40 HGAB C[C@H](CNC(=O)CSc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)c1ccccc1 9253403 BOVZYFPILWEIIO-OAHLLOKOSA-N 419.510 3.121 0 40 HGAB COc1ccc(-c2csc(NC(=O)c3ccc(S(C)(=O)=O)cc3)n2)cc1OC 9712758 DXIYCZNLKZFAMN-UHFFFAOYSA-N 418.496 3.483 0 40 HGAB CCN(CC)CCCN1C(=O)c2oc3cc(OC)ccc3c(=O)c2[C@@H]1c1ccncc1 10233228 ZULRCNSMLDJRDU-NRFANRHFSA-N 421.497 3.474 0 40 HGAB Cc1cc(NC(=O)C2CC2)sc1C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 10309798 VQUFYATVSMYWBG-GFCCVEGCSA-N 406.529 3.300 0 40 HGAB O=C(CCn1ccc2ccccc21)N1CCC(NS(=O)(=O)c2ccccc2)CC1 10376009 KPQDAPUFEFKFOR-UHFFFAOYSA-N 411.527 3.001 0 40 HGAB COCCn1c(Cc2ccccc2)nnc1SCC(=O)N1CCc2ccccc2C1 12044943 MKLPERKZCZEMJD-UHFFFAOYSA-N 422.554 3.192 0 40 HGAB Cc1ccc(-n2ncc3c2CCC[C@@H]3NC(=O)C[C@@H]2SC(=O)N(C)C2=O)cc1C 12145621 CCKZIBGNZNJZQZ-WMZOPIPTSA-N 412.515 3.067 0 40 HGAB O=C(CCC1CCCC1)N1CCC(O)(Cn2cnc3cc(Cl)ccc3c2=O)CC1 12187091 KIDCEWPHLWZOJV-UHFFFAOYSA-N 417.937 3.374 0 40 HGAB COc1ccc([C@H]2CC(=O)Nc3c2cnn3Cc2ccc3c(c2)OCO3)cc1OC 12371266 JRYDJSZGIMKNPT-OAHLLOKOSA-N 407.426 3.151 0 40 HGAB COc1cc(OC)c(NC(=O)c2ccc(CN3C(=O)CCC3=O)cc2)cc1Cl 12765590 DJXFXKKIRIYQQQ-UHFFFAOYSA-N 402.834 3.259 0 40 HGAB CCCCN(Cn1nc(-c2ccccc2F)n(C)c1=S)[C@@H]1CCS(=O)(=O)C1 12921602 NCCMVZHIWHMFMH-CQSZACIVSA-N 412.556 3.004 0 40 HGAB Cc1cnc(C(=O)Nc2cccc(S(=O)(=O)Nc3ccccc3Cl)c2)cn1 13096674 UARYGMGCOBEHDC-UHFFFAOYSA-N 402.863 3.492 0 40 HGAB COc1ccc(C(=O)OCc2nc3ccccc3s2)cc1S(=O)(=O)NC1CC1 13985793 DEEXWZROQUNTHG-UHFFFAOYSA-N 418.496 3.103 0 40 HGAB CC(C)C(=O)Nc1ccccc1C(=O)OCc1cc(=O)n2nc(C(C)C)sc2n1 15771575 LFJHCEIXDUSEQQ-UHFFFAOYSA-N 414.487 3.226 0 40 HGAB C[C@H]1Cc2cc(C(=O)NCc3cccc(C(F)(F)F)c3)ccc2N1S(C)(=O)=O 17064656 QOISKIUBWAZMST-LBPRGKRZSA-N 412.433 3.346 0 40 HGAB CN(C)C(=O)[C@H](OC(=O)Cc1csc(NC(=O)c2ccccc2)n1)c1ccccc1 17748546 VSBKLGKZCRJLGX-LJQANCHMSA-N 423.494 3.311 0 40 HGAB Cc1cc(=O)c(C(=O)NC[C@H](c2ccco2)N2CCCCC2)nn1-c1ccccc1F 18185899 WLVVDUVJLBMIOK-LJQANCHMSA-N 424.476 3.230 0 40 HGAB CC(C)C(=O)N1CCO[C@@](Cc2ccc(-c3cccs3)cc2)(C(=O)N(C)C)C1 19085790 XVXVBYUAOFKQOY-JOCHJYFZSA-N 400.544 3.299 0 40 HGAB COCCn1cnc2cc(C(=O)NCC3(c4ccc(C)cc4)CCOCC3)ccc21 19208745 LGCBITSORJWNRK-UHFFFAOYSA-N 407.514 3.469 0 40 HGAB COc1ccc(-c2csc(NC(=O)[C@H](C)Cn3nc(C)nc3C)n2)cc1OC 19285956 SDSLEVZXXAIQJV-LLVKDONJSA-N 401.492 3.310 0 40 HGAB O=C(CCCN1CCCC1=O)NC1CCN(CC2(c3ccc(Cl)cc3)CC2)CC1 19332751 PGRGUUGLAHOGQK-UHFFFAOYSA-N 417.981 3.355 0 40 HGAB CCC(=O)N1CCN(Cc2nc3sc4c(c3c(=O)[nH]2)CC[C@H](C(C)(C)C)C4)CC1 19498941 NFGIRMIAWCQGMS-AWEZNQCLSA-N 416.591 3.190 0 40 HGAB Cc1nc([C@@H](Cc2ccsc2)NC(=O)c2ccc(S(N)(=O)=O)cc2)sc1C 19559816 SXWHIZIQDNRIAS-MRXNPFEDSA-N 421.569 3.183 0 40 HGAB CC(=O)N1CCC(c2ccc(C(=O)Nc3ncc(-c4ccccc4)n3C)cn2)CC1 19708269 BDISOMPRQYFYDJ-UHFFFAOYSA-N 403.486 3.460 0 40 HGAB Cc1nc([C@H]2CCCN(C(=O)Cc3ccccc3)C2)ncc1C(=O)N1CCCCC1 19763024 ZWZQAORTEUFTSX-FQEVSTJZSA-N 406.530 3.360 0 40 HGAB CCOC(=O)[C@](NCc1cccnc1)(NC(=O)c1ccccc1Cl)C(F)(F)F 19938837 FPRJVWCQWZATMY-KRWDZBQOSA-N 415.799 3.076 0 40 HGAB COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)C(=O)Nc1ccc(F)c(F)c1F 20016408 DXIAYLAVUQSWEX-QMMMGPOBSA-N 422.812 3.071 0 40 HGAB C[C@H]1CCCN(C(=O)C2CCN(S(=O)(=O)Cc3c(F)cccc3Cl)CC2)C1 20037945 KZPFCWPFKREWPP-AWEZNQCLSA-N 416.946 3.279 0 40 HGAB CCOc1ccc(N(CC(=O)N[C@@H](CC)c2ccc(C)cc2)S(C)(=O)=O)cc1 20044772 ZLDCFGWQJGUNMR-FQEVSTJZSA-N 404.532 3.427 0 40 HGAB Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccccc1F)N(CCN1CCOCC1)C3=O 20308569 HHLITUMVQMTION-NRFANRHFSA-N 422.456 3.118 0 40 HGAB Cc1noc(C)c1COc1cccc(C(=O)NCc2ccc(-n3cccn3)nc2)c1 22225628 XVYOBTDTCISRPC-UHFFFAOYSA-N 403.442 3.381 0 40 HGAB O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1cccs1)NCCc1ccccc1 22378123 GUHAQQMUXQCQDY-UHFFFAOYSA-N 418.515 3.441 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)[C@@H](C)Oc1ccc(C)cc1 22513568 WRABQWDSTIKNOD-MRXNPFEDSA-N 418.515 3.194 0 40 HGAB O=c1c2ccccc2c(-c2ccccc2)nn1CCS(=O)(=O)Oc1ccccc1 22534493 ULKVIMKTFKIXSF-UHFFFAOYSA-N 406.463 3.472 0 40 HGAB Cc1ccc2nc(-c3ccccc3)c(CN3CCN(CC(=O)N4CCCC4)CC3)n2c1 22927089 AKGREZPHXKEOLW-UHFFFAOYSA-N 417.557 3.050 0 40 HGAB c1ccc(COc2ccccc2CN(CCN2CCOCC2)Cc2cccnc2)nc1 22931406 FQDYQNZPDJYEPI-UHFFFAOYSA-N 418.541 3.390 0 40 HGAB CSCC[C@H](NC(=O)c1ccco1)C(=O)N1CCN(c2cccc(Cl)c2)CC1 23155513 JMJOZQIZMYSPLD-KRWDZBQOSA-N 421.950 3.133 0 40 HGAB CCOc1cccc2cc([C@H](C)NC(=O)c3ccc4c(c3)[nH]c(=O)c(=O)n4CC)oc12 24925054 MRTUONXPCCIQIS-ZDUSSCGKSA-N 421.453 3.346 0 40 HGAB CC1(C)Cc2cccc(OCCNC(=O)c3ccc(NC(=O)NC4CC4)cc3)c2O1 25302956 RMUDXKATLICHAH-UHFFFAOYSA-N 409.486 3.493 0 40 HGAB Cc1ccc(-n2cnnc2SCC(=O)N2CCC[C@@H]2c2nnc3ccccn23)cc1 26555987 MQHWGOBSCNIENA-QGZVFWFLSA-N 419.514 3.074 0 40 HGAB Cc1nc(-c2ccc(CNC(=O)CCn3c(C)nc4ccccc4c3=O)o2)cs1 29063864 LOKJZEABGZVHNR-UHFFFAOYSA-N 408.483 3.436 0 40 HGAB C[C@]12CCC(=O)N1c1ccccc1C(=O)N2CCC(=O)Nc1ccc(F)c(F)c1F 29753682 UNTJMRDIESEFNK-OAQYLSRUSA-N 417.387 3.432 0 40 HGAB COc1ccc([C@H](NC(=O)CCc2nnc(-c3ccsc3)o2)c2nccn2C)cc1 30973094 ZQDCGLNNVCJRPV-IBGZPJMESA-N 423.498 3.379 0 40 HGAB Cc1c(-c2ccccc2)oc2c(C(=O)N3CCN(C(=O)N(C)C)CC3)cccc2c1=O 31509323 BJMCCHQAQRCSDM-UHFFFAOYSA-N 419.481 3.208 0 40 HGAB COC(=O)c1ccc(NC(=O)N2CCc3nc[nH]c3[C@@H]2c2cccc(OC)c2)cc1 32124184 KITIIBRPCRSEAD-FQEVSTJZSA-N 406.442 3.385 0 40 HGAB biogenic CC(C)CN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccccc1-c1ccccc1 32755603 VYXUQEILEZHESU-SFHVURJKSA-N 407.557 3.187 0 40 HGAB O=C(Cn1nc2ccc(Sc3ccccc3)nn2c1=O)Nc1ccc(Cl)cc1 33261738 WDUDTCVLCXLQIU-UHFFFAOYSA-N 411.874 3.334 0 40 HGAB CC(C)C[C@@H](C(=O)N1CCN(Cc2ccccc2)CC1)N1C(=O)c2ccccc2C1=O 33374753 SSEYJCGJEQNUNH-QFIPXVFZSA-N 419.525 3.042 0 40 HGAB Cc1csc(NC(=O)CSc2nc3ccccc3n2CC(=O)N2CCCC2)n1 35312086 IKOLFLKOPOGIMS-UHFFFAOYSA-N 415.544 3.154 0 40 HGAB COC(=O)c1sccc1NC(=O)c1cc2c([nH]c1=O)C[C@H](c1ccccc1)CC2=O 35506377 SPBQPGPXHQABPO-ZDUSSCGKSA-N 422.462 3.388 0 40 HGAB COc1c(C(=O)N2CCCC2)cn(C)c1-c1nc2cc(NC(=O)C(C)C)ccc2n1C 36369969 UCSCQWZFCBUPAW-UHFFFAOYSA-N 423.517 3.418 0 40 HGAB biogenic C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc2c(cc1Br)OCCO2 40079833 LTQDHTJVZPRQOZ-VIFPVBQESA-N 401.257 3.072 0 40 HGAB Cc1nn(C)c2[nH]c(=O)c(CCC(=O)NCc3ccc(OC(F)(F)F)cc3)c(C)c12 40086839 DDRXPMYLEISKGV-UHFFFAOYSA-N 422.407 3.026 0 40 HGAB Cc1cc(C(=O)NCc2cccnc2Oc2cccc(F)c2)ccc1-n1cnnn1 40094410 XMDGTSVSNIWIRD-UHFFFAOYSA-N 404.405 3.227 0 40 HGAB CN1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccccn2)[C@H]1c1ccc2c(c1)OCO2 40287867 OQXYGVYABBJMAR-NHCUHLMSSA-N 401.422 3.360 0 40 HGAB CCOc1ccccc1NC(=O)CSc1nc2ccsc2c(=O)n1CCOC 57425751 ZGZVTZHGHUAIPG-UHFFFAOYSA-N 419.528 3.234 0 40 HGAB Cc1cc(S(=O)(=O)N(C)C)cc(NCC(=O)N2c3ccccc3CC[C@@H]2C)c1C 57974122 KIBOVEQPJGKLGG-INIZCTEOSA-N 415.559 3.334 0 40 HGAB COc1cc2c(cc1NC(=O)CN1CCN(c3ncccn3)CC1)oc1ccccc12 58170547 BJXRTJAOMFJYMR-UHFFFAOYSA-N 417.469 3.145 0 40 HGAB O=C(C[C@H](CN1CCN(c2cccc(Cl)c2)CC1)C(=O)O)Nc1ccccc1 71279360 MDLHJZWJEDDMCO-MRXNPFEDSA-N 401.894 3.192 0 40 HGAB Cn1nc(-c2ccc(F)cc2)cc1C(=O)NCC1CCN(C(=O)c2ccoc2)CC1 77099719 OUBSLTKAHPTNMT-UHFFFAOYSA-N 410.449 3.101 0 40 HGAB Cn1nc(N2CCC[C@H](C(=O)Nc3ccc4c(c3)Cc3ccccc3-4)C2)ccc1=O 77100957 KWZXPEIRXVEGFW-KRWDZBQOSA-N 400.482 3.207 0 40 HGAB CCOc1ccc(S(=O)(=O)NCCc2nc(C)cc(C(F)(F)F)n2)cc1C 77101120 YMNKQMFYIALZEI-UHFFFAOYSA-N 403.426 3.032 0 40 HGAB C[C@H]1[C@H](c2ccc(Br)cc2)OCCN1C(=O)NCCOc1cccnc1 95441272 IKZOUTNKOXUMTB-KBXCAEBGSA-N 420.307 3.395 0 40 HGAB CS(=O)(=O)c1cccc(Cl)c1C(=O)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1 95993605 DXIBTKRKCYYBRD-HNNXBMFYSA-N 422.890 3.113 0 40 HGAB CN(C(=O)COc1ccc2occ(-c3cccs3)c2c1)[C@@H]1CCS(=O)(=O)C1 96222947 JLMXTVAMKRBCEZ-CYBMUJFWSA-N 405.497 3.186 0 40 HGAB COc1ccc([C@H]2[C@H]3C(=O)N(c4c(C)cc(C)cc4C)C(=O)[C@H]3N3CCCN23)cc1 100774194 DPVCZYOJVPHRRJ-HJNYFJLDSA-N 405.498 3.156 0 40 HGAB C[C@H]1C=CC[C@@H]2C(=O)N(c3ccc(C(=O)OCC(=O)c4ccccc4)cc3)C(=O)[C@H]12 101229921 VWSMYSSTIUFCTD-PAXLWEDBSA-N 403.434 3.428 0 40 HGAB CCN1C(=O)CCc2cc(NC(=O)c3ccc4c(=O)n(CC)c(S)nc4c3)ccc21 102207412 UTDNFLKXDNLUKF-UHFFFAOYSA-N 422.510 3.257 0 40 HGAB COc1ccc(CCNC(=S)N/C=C\c2nc3ccccc3nc2O)cc1OC 104303795 MVCTXCZWSZFBLZ-BENRWUELSA-N 410.499 3.030 0 40 HGAB COc1ccc([C@H](O)CNC(=O)CCc2ccccc2Br)cc1OC 211088182 MLMKXLXDXYOYBJ-MRXNPFEDSA-N 408.292 3.249 0 40 HGAB COc1ccc([C@@H](O)CNC(=O)CCc2ccccc2Br)cc1OC 211088218 MLMKXLXDXYOYBJ-INIZCTEOSA-N 408.292 3.249 0 40 HGAB CC[C@@H](NC(=O)c1cccc(N2CCCC2=O)c1)c1ccc(S(C)(=O)=O)cc1 219216377 GZDKFDSLRVUKFZ-LJQANCHMSA-N 400.500 3.098 0 40 HGAB CN(CCCC(=O)Nc1ccccc1Br)S(=O)(=O)c1ccccc1 219709205 IYWXYKJTCWXEFG-UHFFFAOYSA-N 411.321 3.489 0 40 HGAB CC[C@@H](C(=O)N[C@@H](C)COc1ccccc1C)N(c1cccc(C)c1)S(C)(=O)=O 220524524 FXGVWDIJVKKYFP-ICSRJNTNSA-N 418.559 3.432 0 40 HGAB CC[C@H](C(=O)Nc1cccc(C(=O)OC)c1C)N(c1ccccc1F)S(C)(=O)=O 220595574 NFVGFWTZQLTHTC-QGZVFWFLSA-N 422.478 3.104 0 40 HGAB CCOc1ccc(CN(C)S(=O)(=O)c2ccc(OC)c(C(=O)NC(C)C)c2)cc1 223882339 CNJDDEPHEVPLJO-UHFFFAOYSA-N 420.531 3.053 0 40 HGAB COc1cc(C)c(S(=O)(=O)NCc2nc(-c3ccc(Cl)cc3)no2)c(C)c1 225424180 NESJGESJGZEGOM-UHFFFAOYSA-N 407.879 3.494 0 40 HGAB COc1ccc(NC(=O)C(C)(C)NS(=O)(=O)Cc2cc(F)ccc2Cl)cc1 225923459 YRUALJVEKOSHTI-UHFFFAOYSA-N 414.886 3.324 0 40 HGAB C[C@@H]1CCCCN1CCNC(=O)[C@H]1C[C@H]2CC[C@@]1(C)C[C@@]21NC(=O)c2ccccc2N1 253596394 QTKGBJSIUXKRNT-RLFCIGJUSA-N 424.589 3.355 0 40 HGAB COc1cccc2c1OC(C)(C)[C@@H]1C[C@H]3CN(C(=O)[C@H](N)C(C)C)CC[C@H]3O[C@@H]21 257233327 GOTSJEWLVKZHOB-UZKILMIQSA-N 402.535 3.144 0 40 HGAB Cc1ccccc1N(CCCC(=O)N[C@H](C)COc1ccccc1)S(C)(=O)=O 260764649 LBXVWECMMZKQDH-GOSISDBHSA-N 404.532 3.125 0 40 HGAB Cc1cccc(CN2CCC[C@]3(CN(Cc4cccnc4N)CC(F)(F)C3)C2=O)n1 306137183 QOBUUOIJBKUOKJ-NRFANRHFSA-N 415.488 3.017 0 40 HGAB COc1cccc(C(=O)N2[C@H]3CC[C@H]2[C@@]2(CCN(Cc4csc(C)n4)C2=O)C3)c1 306139538 SZUZCEIGHIVXMQ-LQBOVUBWSA-N 411.527 3.256 0 40 HGAB Cc1ncsc1CN1CCO[C@]2(CCCC[C@@H]2NC(=O)Cc2cccs2)C1 306143406 YBRFTXFXZHVXIY-AZUAARDMSA-N 405.589 3.386 0 40 HGAB COc1ccc(Cl)cc1S(=O)(=O)N(CC(=O)NCC(C)C)Cc1ccccc1 408626461 YZZSUBHAGXWTFK-UHFFFAOYSA-N 424.950 3.312 0 40 HGAB CCCOc1ccc(N2C[C@@H](C(=O)N3CCN(Cc4ccccc4)CC3)CC2=O)cc1 408709179 YJJXVDFIYBZKRX-NRFANRHFSA-N 421.541 3.173 0 40 HGAB C[C@]1(c2ccc(CNC(=O)[C@@H]3C[C@@H]3c3cccc4ccccc34)cc2)NC(=O)NC1=O 517396799 NTLFOUIEACNOEL-DNRQZRRGSA-N 413.477 3.314 0 40 HGAB O=C1COc2ccc(C(=O)N3CCCC4=C[C@H]5C[C@@H](CN6CCCC[C@@H]56)[C@@H]43)cc2N1 604404056 AQGXPEQKXOPOBJ-BNUXRISVSA-N 407.514 3.053 0 40 HGAB biogenic Cc1nc(C)c(C(=O)N2CC(n3nc(-c4ccc(Cl)cc4)ccc3=O)C2)s1 1775974202 DDYFBJFFLRFKHU-UHFFFAOYSA-N 400.891 3.334 0 40 HGAB Cc1ccc(Cl)cc1N1C(=O)N(CC(=O)NC(C)C)c2ccccc2S1(=O)=O 1889035576 MULVWRLSJBGFFB-UHFFFAOYSA-N 421.906 3.308 0 40 HGAB CS(=O)(=O)N(CC(=O)N1CCc2ccccc2C1)c1ccc(Cl)c(Cl)c1 916084 JIXLSUZVZGCUAI-UHFFFAOYSA-N 413.326 3.344 0 40 HGAB COc1cc(-c2nnn(CC(=O)NC3CCCCC3)n2)ccc1OCc1ccccc1 924196 QHNJLBLAKAOYMV-UHFFFAOYSA-N 421.501 3.377 0 40 HGAB Cc1c(Cl)cccc1NC(=O)[C@@H](C)OC(=O)CCN1C(=O)c2ccccc2C1=O 1984734 PIAWBDXCOXRGPB-CYBMUJFWSA-N 414.845 3.205 0 40 HGAB O=C(Cn1nnc(C(=O)c2ccccc2)c1C(=O)c1ccccc1)Nc1ccccc1 2787081 NCERBTNOTCZFQO-UHFFFAOYSA-N 410.433 3.379 0 40 HGAB Cc1cc2cc(CN(CCCO)C(=S)NCc3ccccc3)c(=O)[nH]c2cc1C 4132970 DVYVYPOWALECAJ-UHFFFAOYSA-N 409.555 3.404 0 40 HGAB COc1ccc(N2C(=O)/C(=C\c3ccco3)N=C2S[C@H](C)C(N)=O)cc1Cl 4514871 FIKXFLWVKVXQQZ-GMROUXNLSA-N 405.863 3.292 0 40 HGAB Cn1cc([C@H]2c3ccccc3C(=O)N2CC(=O)NCc2ccccn2)c2ccccc21 4734522 GWKZPHPNJZTIOU-XMMPIXPASA-N 410.477 3.435 0 40 HGAB COc1cccc(NC(=O)Cc2nnc(SCC(=O)c3ccc(F)cc3)n2C)c1 4814663 FIIUNOCNQQZQJM-UHFFFAOYSA-N 414.462 3.119 0 40 HGAB COc1ccc(CC(=O)Nc2cccc(-c3ccc(N4CCOCC4)nn3)c2)cc1 4939873 BLRBTOSYGXQWFA-UHFFFAOYSA-N 404.470 3.170 0 40 HGAB Cc1ccc(C(=O)OCCCc2ccncc2)cc1S(=O)(=O)N1CCCCC1 5200907 ZFAIHSNZYPCPLG-UHFFFAOYSA-N 402.516 3.354 0 40 HGAB O=C(CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O)Nc1ccc2ccccc2c1 5342601 IHRVRZVHKNCKEK-OAQYLSRUSA-N 412.449 3.423 0 40 HGAB Cc1cc(C)c(S(=O)(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)c(C)c1 5557682 ORYUDCRMQUSGMQ-UHFFFAOYSA-N 410.542 3.426 0 40 HGAB CCN(C[C@H]1COc2ccccc2O1)C(=O)CSc1nnc(C2CC2)n1C1CC1 7550819 MSDDMGWUHBASKE-INIZCTEOSA-N 414.531 3.271 0 40 HGAB Cc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc1C 7638188 IAXWBVJWGPGMFD-UHFFFAOYSA-N 408.907 3.230 0 40 HGAB O=C(Cn1cnc2sccc2c1=O)N(Cc1ccc2c(c1)OCO2)C1CCCC1 7719243 BPGSFJNANRKLDZ-UHFFFAOYSA-N 411.483 3.158 0 40 HGAB COc1ccc(C(C)(C)C)cc1NC(=O)CN(C)C1=NS(=O)(=O)c2ccccc21 8429742 SXPSKIRLTOXHGG-UHFFFAOYSA-N 415.515 3.012 0 40 HGAB CCOc1ccccc1-n1nnnc1SCC(=O)Nc1cccc2cccnc12 8709646 ICVADQQFVFZENN-UHFFFAOYSA-N 406.471 3.340 0 40 HGAB Cc1cc(C)cc(-n2nnnc2SCC(=O)N2c3ccccc3NC(=O)C[C@H]2C)c1 8861861 MEQRXFFRGYFXRT-OAHLLOKOSA-N 422.514 3.135 0 40 HGAB Cn1cnnc1SCC(=O)Nc1ccc(C(=O)N2CCC[C@H]3CCCC[C@@H]32)cc1 8879490 AGFYWEQNZQVXMV-QAPCUYQASA-N 413.547 3.341 0 40 HGAB COc1ccccc1NC(=O)CN(Cc1ccco1)C(=O)c1ccc2c(c1)OCO2 9048577 RDFCTUMNKVRIQT-UHFFFAOYSA-N 408.410 3.298 0 40 HGAB Cn1ccnc1SCC(=O)Nc1ccc(C(=O)N[C@@H]2CCOc3ccccc32)cc1 9377862 SYXZNULBXJCAOL-GOSISDBHSA-N 422.510 3.405 0 40 HGAB CC1(C)NC(=O)N(CC(=O)Nc2ccc(Cc3nc4ccccc4s3)cc2)C1=O 9450349 TXOMRNBAMPPVQO-UHFFFAOYSA-N 408.483 3.156 0 40 HGAB O=C(CCOc1ccccc1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 9513603 DZWMRJCDFWMJAH-UHFFFAOYSA-N 424.522 3.142 0 40 HGAB Cc1ccc(NC(=O)CN(C)C(=O)COC(=O)c2ccc3[nH]c(C)c(C)c3c2)cc1 9551729 PNKGVZMWGNLXKB-UHFFFAOYSA-N 407.470 3.347 0 40 HGAB CN(C)CCN(C(=O)c1ccc(F)cc1)c1nc2ccc(S(C)(=O)=O)cc2s1 10337334 ZBYKDTCNWXLMID-UHFFFAOYSA-N 421.519 3.047 0 40 HGAB CCOc1ccc(-c2ccc(OCCNC(=O)Cc3ccc(OC)cc3)nn2)cc1 10509578 KMGHXZFSWHASDT-UHFFFAOYSA-N 407.470 3.289 0 40 HGAB Cc1nc(COc2ccc(C(=O)N[C@H](C)c3ccc(-n4cncn4)cc3)cc2)no1 11406533 DBFSWLJUACRHIX-CQSZACIVSA-N 404.430 3.029 0 40 HGAB CS(=O)(=O)N1CCc2cc(C(=O)N3CCCC[C@@H]3c3nc4ccccc4[nH]3)ccc21 12116153 QKFIUAXRQWJPHV-HXUWFJFHSA-N 424.526 3.252 0 40 HGAB CCCn1cc(C(=O)N2CCC(c3ccnc4nc(C(F)(F)F)nn34)CC2)c(C)n1 12129658 SPELAVTWSJIRBY-UHFFFAOYSA-N 421.427 3.078 0 40 HGAB Cc1ccc(C(=O)NCC(=O)N[C@@H](c2ccc(Cl)cc2)c2nccn2C)cc1C 12559783 XVDGFXPUFCYKLD-FQEVSTJZSA-N 410.905 3.326 0 40 HGAB CCCCCNC(=O)CSc1nnc(-c2ccc(OCC)cc2)n1CCC(=O)O 12779020 QKLSTYYMZGXQHM-UHFFFAOYSA-N 420.535 3.217 0 40 HGAB CCN(C1CCCCC1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 12905746 SCWDBYFYYVDLGT-UHFFFAOYSA-N 414.593 3.205 0 40 HGAB C[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2)C[C@@H](C)O1 12926042 WWMQZRMZCAGNJP-ZIAGYGMSSA-N 408.907 3.390 0 40 HGAB O=C(NC[C@H](c1ccc(F)cc1)N1CCOCC1)C1=Cc2cc(Cl)ccc2OC1 13002987 JNNBLYQWZSLKPE-HXUWFJFHSA-N 416.880 3.445 0 40 HGAB COC(=O)c1ccc(CN2CCN(C(=O)c3cccc(OC(F)F)c3)CC2)cc1 13011217 ZLVVCJWOLLDTRC-UHFFFAOYSA-N 404.413 3.033 0 40 HGAB Cc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(F)cc2)c(Br)c1 15737814 FIUOIUGZDKLZSV-UHFFFAOYSA-N 415.284 3.156 0 40 HGAB Cc1ccc(-n2ncc3c(=O)n(CC(=O)NCc4ccccc4Cl)cnc32)c(C)c1 16047577 KGDNGRMUSSJDFS-UHFFFAOYSA-N 421.888 3.169 0 40 HGAB CCC(CC)C(=O)Oc1coc(CSc2nnc(NC(=O)C3CC3)s2)cc1=O 16047806 YZOJIEQWYRQZJV-UHFFFAOYSA-N 423.516 3.474 0 40 HGAB O=C(COC(=O)c1cc(=O)[nH]c2ccccc12)Nc1ccc(Br)cc1 16699376 ZGKNGMUUOMWKKA-UHFFFAOYSA-N 401.216 3.086 0 40 HGAB CN(Cc1ccc(C(C)(C)C)cc1)C(=O)CNC(=O)c1ccc(N2CCCC2=O)cc1 18079994 LIMWSUHMTSGBSL-UHFFFAOYSA-N 421.541 3.499 0 40 HGAB Cc1cc2nc([C@H]3CCCN3C(=O)C[C@@]3(C)C(=O)N=C4C=CC=CN43)[nH]c2cc1C 19125323 AUOAMZHKFUPMDC-JPYJTQIMSA-N 403.486 3.316 0 40 HGAB COc1ccc2c(c1)C[C@H](C(=O)N1CCC[C@H](c3nc(-c4cccnc4)no3)C1)CO2 19562351 ZYYLNNHZZAIKOD-WMZOPIPTSA-N 420.469 3.098 0 40 HGAB CO[C@@H]1CCC[C@@H](C(=O)N2CCC[C@@H]([C@@H]3C[C@H](C(F)(F)F)n4ncnc4N3)C2)C1 19592607 XJSYFOWSSAMOSA-DGXTUMSLSA-N 415.460 3.010 0 40 HGAB CN(C)c1ncc(CN2CCO[C@H](c3ccc(Cc4ccc(F)cc4)cn3)C2)cn1 19692350 GNJRMZSLUKKVQP-QFIPXVFZSA-N 407.493 3.241 0 40 HGAB NS(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)c2ccc3ccccc3c2)c1 21375595 JBUCOIUMHZILEJ-UHFFFAOYSA-N 403.843 3.180 0 40 HGAB Cc1cc(C)c(N(CC(=O)NCc2ccc(OC(C)C)cc2)S(C)(=O)=O)c(C)c1 22397000 PNJMNBGVBCCTAT-UHFFFAOYSA-N 418.559 3.481 0 40 HGAB CC(C)[C@H](NS(=O)(=O)c1cccs1)C(=O)Nc1ccc2c(c1)OC(F)(F)O2 22469074 KKUJEQNZWKPCRN-AWEZNQCLSA-N 418.443 3.011 0 40 HGAB COc1cccc([C@H](CNC(=O)CCc2c(C)nc3cc(C)nn3c2C)N(C)C)c1 22683544 BRDBKYHIYQNHQY-NRFANRHFSA-N 409.534 3.015 0 40 HGAB O=C(CN1CCN(Cc2ccc3c(c2)CCO3)CC1)Nc1ccccc1C(F)(F)F 22805441 MKLPJRFNAXCVQR-UHFFFAOYSA-N 419.447 3.397 0 40 HGAB O=S(=O)(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)c1cccc2ccccc12 23108137 YQHONOGNGOXJQV-NRFANRHFSA-N 414.502 3.331 0 40 HGAB O=C(c1cc(=O)c(OCc2ccccc2)co1)N1CCN(Cc2ccccc2)CC1 23135392 UOLCHCCGWFVBNY-UHFFFAOYSA-N 404.466 3.177 0 40 HGAB CC(=O)c1cccc(S(=O)(=O)N2CCN(Cc3nc4ccccc4s3)CC2)c1 24149486 VWKRAYUXEJEUOF-UHFFFAOYSA-N 415.540 3.005 0 40 HGAB CC(=O)Nc1cccc(NC(=O)CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 24167018 JOGUUCFBTZCNDC-UHFFFAOYSA-N 420.435 3.425 0 40 HGAB CCc1ccc(C(=O)N2CCN(C(=O)CCCc3nc(C(C)(C)C)no3)CC2)cc1 24620915 YHUOVEDLYPKVFV-UHFFFAOYSA-N 412.534 3.237 0 40 HGAB O=C(NOCc1ccccc1)c1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1 25038135 XFFOLUXMQCYDSG-UHFFFAOYSA-N 407.451 3.109 0 40 HGAB O=C(CN1CCCCCC1=O)OCC(=O)N1c2ccccc2CCc2ccccc21 25074573 XRBZESIFCMSVQQ-UHFFFAOYSA-N 406.482 3.396 0 40 HGAB O=S(=O)(c1ccc(Cl)cc1)N1CCN(Cc2ccc(O)c3ncccc23)CC1 25390470 ULBTUDRQBQAFHJ-UHFFFAOYSA-N 417.918 3.100 0 40 HGAB C[C@H](CNC(=O)COc1ccc(Br)cc1)N1CCc2ccccc2C1 25633982 IKVVALSSGXZNDX-OAHLLOKOSA-N 403.320 3.391 0 40 HGAB Cc1c(-c2ccccc2)sc2ncn(CC(=O)Nc3sccc3C(N)=O)c(=O)c12 25794330 WSQUTXPHBCDLQM-UHFFFAOYSA-N 424.507 3.233 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCCc4ccccc43)C2)cc1 26111375 BUXMTSRUHCRASM-GOSISDBHSA-N 414.527 3.075 0 40 HGAB CCCCS(=O)(=O)c1nnc(NC(=O)[C@H](CC)Oc2ccccc2F)s1 27745221 LRFPACAHJWRKTI-LBPRGKRZSA-N 401.485 3.047 0 40 HGAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CCC[C@H]2c2ccc(C)cc2)cc1 32796196 FJZVLCSBAZFMAP-UZLBHIALSA-N 402.516 3.034 0 40 HGAB CC(C)(C)C(=O)Nc1cccc(NC(=O)c2ccc(N3CCCS3(=O)=O)cc2)c1 32906480 MLSAEDRPQXOKOI-UHFFFAOYSA-N 415.515 3.463 0 40 HGAB CC[C@H](NC(=O)Cn1ncc2ccccc2c1=O)c1ccc(Br)cc1 36758517 ZZRWQEQEASYQOK-KRWDZBQOSA-N 400.276 3.427 0 40 HGAB CSCC[C@H](NC(=O)c1ccco1)C(=O)Nc1cccc(OC[C@@H]2CCCO2)c1 40062937 WZXPTQYEDAYFAM-ROUUACIJSA-N 418.515 3.328 0 40 HGAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)NCc1ccc(OC(F)F)cc1 40098454 IPFICNWACMNEIQ-UHFFFAOYSA-N 413.446 3.168 0 40 HGAB CN(C(=O)CN1C(=O)N[C@](C)(c2cccc(C(F)(F)F)c2)C1=O)C1CCCCC1 40116837 RYYVYABZDXUNLU-LJQANCHMSA-N 411.424 3.264 0 40 HGAB CCCCOc1ccc(-c2nnc(CN(CCC)[C@@H]3CCS(=O)(=O)C3)o2)cc1 40119085 XALJRBILVKINEC-QGZVFWFLSA-N 407.536 3.315 0 40 HGAB Cc1ccc(NC(=O)Cn2c(=O)n(-c3ccccc3)c(=O)c3sccc32)c(C)c1 57428797 UXFIEXTXINFSMA-UHFFFAOYSA-N 405.479 3.469 0 40 HGAB CC(=O)c1ccc(N2CCN([C@H](C)C(=O)Nc3ccc(F)c(F)c3F)CC2)cc1 58160739 RLINDOCCBJTUOF-CYBMUJFWSA-N 405.420 3.456 0 40 HGAB COc1ccccc1CNC(=O)c1cn(-c2ccc(-c3nc(C(C)C)no3)cn2)cn1 71768312 UGTFOTRQVKSBQK-UHFFFAOYSA-N 418.457 3.379 0 40 HGAB CC(=O)Oc1ccc(CN2CCC(c3nc(C)c(C)c(N4CCOCC4)n3)CC2)cc1 72337255 PUIHOLDBFANANU-UHFFFAOYSA-N 424.545 3.235 0 40 HGAB CN(CC(=O)Nc1ccc([C@@H]2NC(=O)c3cccnc3N2C)cc1)Cc1ccccc1 72341155 UPWQTROJLCCSMB-JOCHJYFZSA-N 415.497 3.031 0 40 HGAB Cc1n[nH]c(C)c1CC(=O)NCc1cccc(-c2nn(C)cc2-c2ccncc2)c1 72344979 IPHUEGCXWATZCS-UHFFFAOYSA-N 400.486 3.348 0 40 HGAB O=C(CN1CCC(c2cccc(Cc3ccc(Cl)cc3)n2)CC1)N1CCOCC1 72348741 XDBSVMDWPHURDF-UHFFFAOYSA-N 413.949 3.364 0 40 HGAB CCCCNC(=O)CN1C(=O)C(C)(C)Oc2ccc(C(=O)c3cccs3)cc21 72396654 BXCFORVKEJLOOA-UHFFFAOYSA-N 400.500 3.399 0 40 HGAB COc1ccc(N2C[C@@H](C(=O)Nc3nnc(C4CCCC4)s3)CC2=O)c(OC)c1 72403727 NCNBWQHPVMDSJR-ZDUSSCGKSA-N 416.503 3.205 0 40 HGAB C[C@@H](NCc1cnn([C@@]2(C)CCS(=O)(=O)C2)c1)c1ccccc1Br 79108812 HYNKILQJRBXKIG-DYVFJYSZSA-N 412.353 3.030 0 40 HGAB O=C(c1ccccn1)N1Cc2ccccc2C2(CCN(CCN3CCCC3)CC2)C1 96079603 NREXDNVZWWNFBQ-UHFFFAOYSA-N 404.558 3.167 0 40 HGAB CN1CCN(C(=O)c2ccnn2-c2ccc3ccc(-c4cccc(F)c4)cn23)CC1 96155277 RFYAGDVRAYXRAP-UHFFFAOYSA-N 403.461 3.319 0 40 HGAB CCN1CC[C@@]2(CN(CC(C)C)CC23CCN(C(=O)c2occc2C)CC3)C1=O 96262757 XFSVCMDVYPTRAF-HSZRJFAPSA-N 401.551 3.021 0 40 HGAB CC(C)N1CCC(c2cc(O)n3nc([C@H]4CCCN4C(=O)[C@H]4C[C@H]4C)cc3n2)CC1 100213143 BGBDTQYDNVHUAY-OXFYSEKESA-N 411.550 3.342 0 40 HGAB O=C(Nc1nc2ccccc2[nH]1)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1 101509646 PBKJHSJZQROJJL-IYBDPMFKSA-N 412.515 3.286 0 40 HGAB COc1ccc(S(=O)(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)cc1C(=O)N1CCCCCC1 103221016 ABMUKSQNQMBGAN-TXPKVOOTSA-N 406.548 3.178 0 40 HGAB CC(C)(Cc1ccccc1)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 223092459 IYAVHQYIVSPACP-QGZVFWFLSA-N 406.573 3.286 0 40 HGAB COc1ccc(-c2noc(CN(C)S(=O)(=O)c3ccc(OC)c(C)c3C)n2)cc1 223141211 UINSSXVTQGDHAX-UHFFFAOYSA-N 417.487 3.191 0 40 HGAB CC(C)n1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c1 223171163 PXLGOZXSKVUMJO-NHCUHLMSSA-N 413.591 3.159 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)Nc1ccc(C)cc1 223177705 QLQKZUDZLVDTHJ-UHFFFAOYSA-N 402.516 3.359 0 40 HGAB C[C@@H](NC(=O)[C@@H](C)N(c1ccc(F)c(F)c1)S(C)(=O)=O)c1ccc2c(c1)CCC2 223235908 LGKXQHXLUBERHH-ZIAGYGMSSA-N 422.497 3.485 0 40 HGAB COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)N(c1ccc(Cl)cc1)S(C)(=O)=O 223347467 GMYWASCOCSQCFD-ZIAGYGMSSA-N 410.923 3.381 0 40 HGAB CCCCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(Cl)c(C(=O)OC)c1 223831658 QBNBQIGKMRDHON-UHFFFAOYSA-N 424.906 3.457 0 40 HGAB COc1cccc(-c2noc(CNC(=S)Nc3ccc(OC)c(OC)c3)n2)c1 225822049 HLIQJELCOWZLFX-UHFFFAOYSA-N 400.460 3.249 0 40 HGAB Cc1ccc(N(CN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@@H]45)[C@H]3C2=O)C(=O)C(F)(F)F)c(C)c1 226408820 LVXFLKUWBMVGIP-QHNADIDASA-N 418.415 3.209 0 40 HGAB COc1ccc(CNC(=O)[C@@H]2[C@@H]3CC[C@@]4(CC(=O)c5ccccc5O4)[C@H]32)cc1OC 247893357 NJSSWXZFUOZIBC-UGWCHPGDSA-N 407.466 3.380 0 40 HGAB O=S(=O)(Cc1ccc(C(F)(F)F)cc1)NCC1CCN([C@@H]2CCSC2)CC1 252550537 SQSSCLUVOQEHNC-QGZVFWFLSA-N 422.538 3.342 0 40 HGAB CC(=O)N1CCC(C(=O)N2CCC[C@@H](c3ncc(Cc4cccc(F)c4)o3)C2)CC1 257245149 IOGCQXAZGIIPJZ-LJQANCHMSA-N 413.493 3.369 0 40 HGAB O=C(NCC1CCCCC1)C1CCN(C2=NO[C@@H]3CN(Cc4ccccc4)C[C@H]23)CC1 306125830 DDDYMHSPRXAZRJ-XZOQPEGZSA-N 424.589 3.239 0 40 HGAB C[C@H](C(=O)Nc1cccc(Br)c1)N(c1ccc(F)cc1)S(C)(=O)=O 408557295 MIHVKFDWWMXXSY-LLVKDONJSA-N 415.284 3.381 0 40 HGAB C[C@@H]1C=CC[C@H]2C(=O)N(c3ccc(C(=O)Nc4cccc(C(=O)O)c4)cc3)C(=O)[C@H]12 408672628 OGWUWKPTSOZZIM-UPRAQXHNSA-N 404.422 3.339 0 40 HGAB O=C(COC(=O)[C@@H]1CCC(=O)N1C(=O)OCc1ccccc1)c1ccc(Cl)cc1 408737896 PVVYGOQTPYCWTF-KRWDZBQOSA-N 415.829 3.394 0 40 HGAB Cc1cccc(CSCCNC(=O)CN(c2cccc(C)c2)S(C)(=O)=O)c1 408922252 YUEVFILJAUWCBR-UHFFFAOYSA-N 406.573 3.119 0 40 HGAB Cc1ccc([C@H]2[C@@H](NC(=O)c3ccc(F)cc3)C(=O)N/[N+]2=C\c2ccccc2)cc1 409053447 KCORKLIGJJGTQS-WXUIRWOTSA-O 402.449 3.150 0 40 HGAB COc1ccc(NC(=O)COc2ccc(S(=O)(=O)NC(C)C)cc2Cl)cc1 409376891 DVJSOLZDZMXLGT-UHFFFAOYSA-N 412.895 3.053 0 40 HGAB Cc1ccc(NC(=O)NC[C@H]2CCCN(C(=O)N[C@H]3CCOC(C)(C)C3)C2)cc1 555144460 CBLGLRQNPMNBHF-MJGOQNOKSA-N 402.539 3.496 0 40 HGAB CCS(=O)(=O)N1CC2(CCN(C(=O)Cc3cccc(F)c3)CC2)c2ccccc21 585102987 AXESWQKHIUUGRY-UHFFFAOYSA-N 416.518 3.098 0 40 HGAB O=C(c1sc2ncccc2c1[C@H]1CCN(Cc2ccncc2)C1)N1CCOCC1 607855496 YKWRUXHWPSBOOR-KRWDZBQOSA-N 408.527 3.153 0 40 HGAB CCn1cc(NC(=O)[C@@H]2C[C@@H]2c2ccc(OCc3ccccc3)cc2)c(C(N)=O)n1 1522848718 HQIMSGPBUXEQHN-RTBURBONSA-N 404.470 3.323 0 40 HGAB COC(=O)[C@@H]1CN(C(=O)NCc2cccc(Br)c2)Cc2ccccc21 1630495918 ALWHITIJQDBGBL-QGZVFWFLSA-N 403.276 3.431 0 40 HGAB Cc1cccc(OC[C@@H]2CCCN(C(=O)CCc3ccc(S(C)(=O)=O)cc3)C2)n1 1775969601 ZVARROFQBQFJQN-LJQANCHMSA-N 416.543 3.044 0 40 HGAB Cc1cc(N2CCC(COc3ccc4nc(C(C)(C)C)cn4n3)CC2)n2ncnc2n1 1888913859 ZKCIQYGENDSWGT-UHFFFAOYSA-N 420.521 3.068 0 40 HGAB COCC(=O)N1CC[C@@H]2[C@H](C1)[C@@H](c1ccc(F)cc1F)CN2Cc1ccccc1 2037834472 HQQBXDYZTJLLMZ-KCZVDYSFSA-N 400.469 3.428 0 40 HGAB Cc1nc(N2CCN(c3ccc(NC(=O)C(C)(C)C)nc3)CC2)c2ccncc2n1 2298086652 BOOHFCPHZXWUMP-UHFFFAOYSA-N 405.506 3.039 0 40 HGAB COc1ccc(-c2oc3c(C)cc(C)cc3c(=O)c2OCC(=O)N2CCOCC2)cc1 1287398 UZKNIHIWNQVJQN-UHFFFAOYSA-N 423.465 3.323 0 40 HGAB C[C@H](OC(=O)CNC(=O)c1sc2ccccc2c1Cl)C(=O)NC1CCCC1 2620344 BTQSHWJOQAHAHE-NSHDSACASA-N 408.907 3.275 0 40 HGAB O=C(CCCCCn1c(=S)[nH]c2cc3c(cc2c1=O)OCO3)NC1CCCC1 2974430 FLJORDAKRWKBJB-UHFFFAOYSA-N 403.504 3.407 0 40 HGAB COc1ccc(CNC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)cc1OC 3418330 YBXYREHICLLTGA-UHFFFAOYSA-N 400.450 3.012 0 40 HGAB Cc1[nH]c2ccccc2c1C(=O)CN(C)CC(=O)Nc1ccc(N2CCOCC2)cc1 3449403 NVVOMPYNONYPPY-UHFFFAOYSA-N 420.513 3.066 0 40 HGAB CC(C)OC(=O)c1c(NC(=O)CSc2nnc(N)s2)sc2c1CCCC2 3513184 KJPJODAMBHBHSP-UHFFFAOYSA-N 412.562 3.357 0 40 HGAB O=C(C[C@@H](NC(=O)C(F)(F)F)c1cccs1)N1CCN(c2ccccc2)CC1 4052163 CBBVZMLVBHUPSV-OAHLLOKOSA-N 411.449 3.207 0 40 HGAB CS(=O)(=O)N1C[C@@H]2C[C@H](C1)c1ccc(/C=C/c3ccc(Cl)cc3)c(=O)n1C2 4237260 JAJRETOTSRHZSY-CDBLECLASA-N 404.919 3.051 0 40 HGAB biogenic,in-vitro O=S(=O)(NC[C@@H](c1cccs1)S(=O)(=O)c1cccs1)c1ccccc1 4553877 XXWZXPXHFXLSPV-HNNXBMFYSA-N 413.567 3.303 0 40 HGAB O=C(Cc1ccc(Cl)cc1)N1CCN(c2ccc(N3CCCCCC3)nn2)CC1 4583317 BXBYDGFHHXDFCU-UHFFFAOYSA-N 413.953 3.402 0 40 HGAB O=C(CSc1nc2ccccc2[nH]1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 4830178 RYOACUBZBUNGLF-UHFFFAOYSA-N 416.528 3.078 0 40 HGAB CCOc1ccccc1-n1nnnc1SCC(=O)c1ccc(NC(=O)CC)cc1 5020929 CSOMUNMLDUXXNS-UHFFFAOYSA-N 411.487 3.385 0 40 HGAB COc1cc2c(cc1OC)[C@@H](C)N(C(=O)CCCN1C(=O)c3ccccc3C1=O)CC2 5354672 VXCPAEYPXAPKCJ-OAHLLOKOSA-N 422.481 3.226 0 40 HGAB Cn1c(-n2ncc(NCc3ccc4c(c3)OCO4)c(Cl)c2=O)nc2ccccc21 5452416 SPOXQSKMGFSISU-UHFFFAOYSA-N 409.833 3.113 0 40 HGAB COc1cc(/C=C/C(=O)O)cc(S(=O)(=O)Nc2cccc(SC)c2)c1OC 6008440 YBKGAJRUMXRWMP-BQYQJAHWSA-N 409.485 3.324 0 40 HGAB CCCCOC(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2C(N)=O)cc1 6127863 FCBIBYJFWDAGKR-UHFFFAOYSA-N 404.850 3.413 0 40 HGAB Cc1ccc(Nc2nnc(SCC(=O)Nc3sccc3C(N)=O)s2)cc1 6613728 OEWSEOCPGBTMHQ-UHFFFAOYSA-N 405.530 3.481 0 40 HGAB Cc1cc(C)nc(NS(=O)(=O)c2ccc(N[C@@H]3OC(=O)c4ccccc43)cc2)n1 6740426 CCPOZYQUVMQFMJ-GOSISDBHSA-N 410.455 3.175 0 40 HGAB O=C(Nc1cccc(Cl)c1)[C@H]1[C@@H]2C=C[C@@]3(CN(CCc4ccccc4)C(=O)[C@@H]13)O2 6759795 NXSSGYPVVHRRQW-GJPOJAMWSA-N 408.885 3.303 0 40 HGAB COc1ccc(C)cc1NC(=O)CCNS(=O)(=O)c1cccc(C(F)(F)F)c1 6788388 CPVMMQCIQURALR-UHFFFAOYSA-N 416.421 3.330 0 40 HGAB COc1ccc(-c2cc3c(=O)n(CC(=O)Nc4cc(F)ccc4F)ccn3n2)cc1 7616009 AZMNTPNARORBEJ-UHFFFAOYSA-N 410.380 3.089 0 40 HGAB C[C@]1(C2CC2)NC(=O)N(CC(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)C1=O 7737402 DUVNLWXXZBHSNV-DENIHFKCSA-N 411.889 3.266 0 40 HGAB Cc1ccc(S(=O)(=O)CCC(=O)OCC(=O)Nc2cccc(C)c2C)cc1C 7940046 KHOSCVONJMMBAU-UHFFFAOYSA-N 403.500 3.266 0 40 HGAB CN(C)c1ccc(C(=O)NC[C@H]2C[C@@H]3CCN2C[C@@H]3CN(C)c2ccccc2)cc1 8635700 RTFIDSZPIYAPHQ-AWRGLXIESA-N 406.574 3.329 0 40 HGAB biogenic,in-vitro CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3CC(C)C)cc1 8840811 UVBIGCDFCOETPX-UHFFFAOYSA-N 415.515 3.381 0 40 HGAB CNC(=O)NC(=O)[C@H](C)Sc1nnc(-c2cccnc2)n1[C@H]1CCCC[C@@H]1C 8886690 JRHBKHOLHOKXMV-YDHLFZDLSA-N 402.524 3.028 0 40 HGAB CC(=O)Nc1ccc(S(=O)(=O)N(C)Cc2nc(-c3ccc(Cl)cc3)no2)cc1 9128837 FSSLAPOLMMXGSQ-UHFFFAOYSA-N 420.878 3.169 0 40 HGAB CC(C)Oc1ccc(N2C[C@H](C(=O)N3CCN(c4ccccc4)CC3)CC2=O)cc1 9234919 AUINTAMCRPADJW-LJQANCHMSA-N 407.514 3.176 0 40 HGAB COc1ccc(C(=O)N[C@H](C)C2CC2)cc1S(=O)(=O)NCc1ccc(Cl)cc1 9585353 IUAYRGXSAOWXKO-CYBMUJFWSA-N 422.934 3.355 0 40 HGAB O=C(Cc1csc(NS(=O)(=O)c2ccccc2)n1)NCc1ccccc1Cl 9828687 LXRBCYOTXTYFBS-UHFFFAOYSA-N 421.931 3.456 0 40 HGAB O=C(COc1ccccc1)N(c1ccc(Br)cc1)[C@H]1C=CS(=O)(=O)C1 9833999 HIAOXFRJYJFGHQ-INIZCTEOSA-N 422.300 3.172 0 40 HGAB O=C(O)C1CCN([C@@H]2CC(=O)N(c3ccccc3Sc3ccccc3)C2=O)CC1 9926546 SAEWTYFESQINPN-GOSISDBHSA-N 410.495 3.266 0 40 HGAB CCC(=O)N1N=C(c2ccccc2NS(C)(=O)=O)C[C@H]1c1ccc(OC)cc1 9968791 HBZPDTMKEUIPFA-IBGZPJMESA-N 401.488 3.154 0 40 HGAB CS(=O)(=O)Nc1ccccc1C(=O)OCC(=O)Nc1c(Cl)cccc1Cl 10265807 GVYYNHLCUXRIHU-UHFFFAOYSA-N 417.270 3.160 0 40 HGAB O=C(CSc1ccc(NC(=O)c2ccccc2)nn1)Nc1ccc2c(c1)OCO2 11737770 CHIMSVFMSCEBPL-UHFFFAOYSA-N 408.439 3.188 0 40 HGAB O=C(NCCCn1nc(-c2cccnc2)ccc1=O)c1cccc(C(F)(F)F)c1 11745434 UMERYTWFKWOKJP-UHFFFAOYSA-N 402.376 3.144 0 40 HGAB COc1ccccc1N1C[C@@H](c2nc3ccccc3n2CC(=O)N2CCCC2)CC1=O 12062135 DTJMWSQBHNELJC-KRWDZBQOSA-N 418.497 3.188 0 40 HGAB COc1ccccc1C1(O)CCN(CCNC(=O)c2c(F)cccc2Cl)CC1 12326257 GTMXEFUNJDNDHB-UHFFFAOYSA-N 406.885 3.201 0 40 HGAB CN(CC(=O)Nc1ccc2c(c1)nc1n2CCCCC1)S(=O)(=O)c1cccs1 12547667 GZPYZEFJNJDBQF-UHFFFAOYSA-N 418.544 3.083 0 40 HGAB O=C(Cn1nnc(-c2ccccc2NC(=O)c2cccc(Cl)c2)n1)NC1CCCC1 12638840 CIGUMKLVFXSQQS-UHFFFAOYSA-N 424.892 3.305 0 40 HGAB CN(C(=O)c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1)[C@@H]1CCS(=O)(=O)C1 12781917 VYIGBSZIDMOQBI-OAHLLOKOSA-N 419.890 3.045 0 40 HGAB CC(=O)c1ccc(OCC(=O)Nc2c(C(=O)N3CCOCC3)oc3ccccc23)cc1 13000892 CLWGDLSMOVIMRQ-UHFFFAOYSA-N 422.437 3.125 0 40 HGAB O=C(Cn1cnc2c([nH]c3ccc(Br)cc32)c1=O)NC1CCCCC1 14001132 GAQBSOJXFZTEHG-UHFFFAOYSA-N 403.280 3.089 0 40 HGAB CSc1ncccc1C(=O)NCCN1C(=O)S/C(=C\c2ccccc2F)C1=O 14242720 LSWVDQATQGDFER-PTNGSMBKSA-N 417.487 3.409 0 40 HGAB O=C(Nc1nc(-c2ccc3c(c2)OCO3)cs1)c1ccc(N2C(=O)CCC2=O)cc1 15317870 ZIZXMZZKRAIDLH-UHFFFAOYSA-N 421.434 3.445 0 40 HGAB O=S(=O)(c1ccccc1)N1CCC(c2nc(-c3ccc4c(c3)OCO4)no2)CC1 17191173 AXGCFIFJLGANTL-UHFFFAOYSA-N 413.455 3.034 0 40 HGAB CCOc1ccc(N2C(=O)c3ccc(C(=O)N4C[C@@H](C)O[C@H](C)C4)cc3C2=O)cc1 17324499 KTNXDGVEDPQVLJ-HUUCEWRRSA-N 408.454 3.135 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)c3ccccc3C)CC2)cc1 17963379 NLOKCJRBQGVCHS-KRWDZBQOSA-N 416.543 3.282 0 40 HGAB C[C@H]1C[C@@H]1C(=O)N1CCC(c2cc3nc4c(c(O)n3n2)CN(C2CCCC2)CC4)CC1 19462884 YQJGKCSOWGUEQK-YJBOKZPZSA-N 423.561 3.098 0 40 HGAB CCCC(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CN(C(=O)CC1CCCC1)CC2 19501420 LACAVHKIRVPJMT-LJQANCHMSA-N 414.550 3.089 0 40 HGAB CCNC(=O)[C@]1(Cc2ccc(-c3ccc(F)cc3)cc2)CN(C(=O)C2CC2)CCO1 19529219 KWDKIBULPPIFES-DEOSSOPVSA-N 410.489 3.179 0 40 HGAB COc1ccc(S(=O)(=O)N2C[C@@H]3[C@@H](CCC[C@@]3(O)c3cccc(OC)c3)C2)cc1 19556951 QPMMISZFLHJFTA-KNXBSLHKSA-N 417.527 3.012 0 40 HGAB COc1cccc(CC(=O)N2CCC(c3nc(-c4ccsc4)cc(=O)[nH]3)CC2)c1 19564125 NITFDMDDGPUWKM-UHFFFAOYSA-N 409.511 3.456 0 40 HGAB Cc1ccc(-n2cc(CN3CCC(Cc4nn(C)cc4C(=O)N(C)C)CC3)cn2)cc1 19756689 HZXLCXDDULRIEI-UHFFFAOYSA-N 420.561 3.071 0 40 HGAB O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccc(Cl)cc2)N1CCN1CCOCC1 20219680 NXSKNXIOZWIMDT-FQEVSTJZSA-N 424.884 3.324 0 40 HGAB COc1ccc(NC(=O)N[C@H]2C[C@@H](c3nc(-c4ccc(OC)cc4)no3)N(C)C2)cc1 20464279 KXCSHHJOZVZUGR-LPHOPBHVSA-N 423.473 3.321 0 40 HGAB biogenic,in-vitro CCCn1c(S)nc2cc(C(=O)N3CCN(C4CCCCC4)CC3)ccc2c1=O 20645343 WSLMRHBCJNJJFF-UHFFFAOYSA-N 414.575 3.186 0 40 HGAB COc1ccc(OC)c(NC(=O)C2CCN(c3ccc4nnc(C(C)C)n4n3)CC2)c1 20735183 WAARHFFACYIERE-UHFFFAOYSA-N 424.505 3.120 0 40 HGAB C[C@H](Sc1nncn1-c1ccccc1)C(=O)N1CCN(Cc2ccccc2)CC1 22298086 COWAFPOLDGJISA-SFHVURJKSA-N 407.543 3.092 0 40 HGAB Cc1ccc2c(c1)[C@H](NC(=O)CN(c1cccc(F)c1)S(C)(=O)=O)CC(C)(C)O2 22363417 JXPXHLQGPZWCOE-GOSISDBHSA-N 420.506 3.319 0 40 HGAB Cc1ccc(OCCNC(=O)CN(c2ccccc2C(C)C)S(C)(=O)=O)cc1 22401360 OZEDKININLFLMM-UHFFFAOYSA-N 404.532 3.080 0 40 HGAB CC(=O)N[C@@H](CC(=O)OCc1cc(=O)oc2cc(O)ccc12)c1ccc(Cl)cc1 23036996 NDNZFXFLKUSBJD-SFHVURJKSA-N 415.829 3.463 0 40 HGAB COc1ccc(CC(=O)OCc2cc(=O)n3c(n2)sc2ccccc23)c(OC)c1 24863912 MTFNWOSLCOVIAS-UHFFFAOYSA-N 410.451 3.212 0 40 HGAB CC(C)c1cc(C(=O)NCc2ccnc(N3CCOCC3)c2)c2cnn(C(C)C)c2n1 25290573 NGKIGAUABLCFGB-UHFFFAOYSA-N 422.533 3.297 0 40 HGAB O=C(OCc1nc2sc3c(c2c(=O)[nH]1)CCC3)[C@@H]1Cc2cc(Cl)ccc2O1 32776510 JLYVYSWRDDSUCJ-ZDUSSCGKSA-N 402.859 3.174 0 40 HGAB O=S(=O)(NC1CCN(Cc2ccccc2Br)CC1)c1cccs1 32865315 FXAKIDLRMUEPMO-UHFFFAOYSA-N 415.378 3.454 0 40 HGAB CNc1nc(SC[C@H](O)COc2ccc(C(C)=O)cc2OC)nc2ccccc12 32895653 FGCVRRVBHVGLNJ-OAHLLOKOSA-N 413.499 3.415 0 40 HGAB COc1ccc(N(C)S(=O)(=O)c2ccc(Cl)c(C(=O)N3CCCC3)c2)cc1 32975584 HMAAJIGNOYGIAM-UHFFFAOYSA-N 408.907 3.410 0 40 HGAB CC(C)C(=O)Nc1ccc2c([C@H](C(=O)O)N3CCN(c4ccccn4)CC3)c[nH]c2c1 36359900 ORGMCLRBZFZGOY-OAQYLSRUSA-N 421.501 3.105 0 40 HGAB C[C@H](NC(=O)CCN1C(=O)COc2ccccc21)c1cccc(Br)c1 36393426 PPSUDSWFMNRRQY-ZDUSSCGKSA-N 403.276 3.442 0 40 HGAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)N1CCC[C@@H]1Cc1ccccc1 40098430 RBAJPXSPZQGKPS-GOSISDBHSA-N 401.532 3.484 0 40 HGAB Cc1cccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccccc3C(F)(F)F)C2=O)c1 40116689 PYEVXJJJNPJIMF-IBGZPJMESA-N 405.376 3.420 0 40 HGAB O=C(Nc1cccc(S(=O)(=O)NCc2ccco2)c1)c1cc(-c2cccnc2)on1 40143049 MWGNNXOQMXWEOV-UHFFFAOYSA-N 424.438 3.060 0 40 HGAB COc1cc(OC)cc([C@H]2c3[nH]cnc3CCN2C(=O)Nc2ccc(C(=O)O)cc2)c1 40312561 VPXPZYQYFHJKBI-FQEVSTJZSA-N 422.441 3.305 0 40 HGAB biogenic COC(=O)[C@H](CCSC)NC(=O)CCCc1nc(-c2ccc(Cl)cc2)no1 41154630 BPBADXNUTPKJMG-AWEZNQCLSA-N 411.911 3.124 0 40 HGAB CS(=O)(=O)N1CCC[C@H](C(=O)Nc2cccc(C3SCCCS3)c2)C1 44389871 YZPSTWFWYJAIRM-AWEZNQCLSA-N 400.591 3.165 0 40 HGAB COCCOc1ccc(S(=O)(=O)N(CCCN(C)C)Cc2ccccc2)cc1C 48313071 RGFCPRLXVKHIQC-UHFFFAOYSA-N 420.575 3.163 0 40 HGAB O=C(Nc1ccc2c(c1)C(=O)N1CCCC[C@@H]1CCO2)[C@H]1COc2ccccc2O1 49030323 HQIKVDWPPNNQHW-IIBYNOLFSA-N 408.454 3.242 0 40 HGAB O=C(COc1cccc(C(F)(F)F)c1)NCc1cccc(CN2CCOCC2)c1 53336698 KZBPIZTYJOOPAB-UHFFFAOYSA-N 408.420 3.233 0 40 HGAB CC(C)(C)C(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccco3)cc2)CC1 57316437 QIIRLVZEVYWBSW-UHFFFAOYSA-N 414.531 3.101 0 40 HGAB Cc1cc(C)cc(-n2c(=O)c3sccc3n(CC(=O)NCc3ccccc3)c2=O)c1 57492046 NCKVQYONHRBURP-UHFFFAOYSA-N 419.506 3.147 0 40 HGAB COc1cccc2cc(C(=O)NC[C@@H]3CCCO3)/c(=N/c3ccc4c(c3)OCO4)oc12 67293803 NDYLFQRQYKXDNX-LDWQWDCMSA-N 422.437 3.311 0 40 HGAB O=C1CN(c2ccc(NC(=O)c3csc(-c4cccc(Cl)c4)n3)cn2)CCN1 71850414 JEBBKYCLLDMFQO-UHFFFAOYSA-N 413.890 3.047 0 40 HGAB Cc1cccc(S(=O)(=O)Nc2cc(S(=O)(=O)NC3CC3)c(Cl)cc2F)c1 72301075 HBZFFGMGEWLSSL-UHFFFAOYSA-N 418.899 3.029 0 40 HGAB Cc1nc2sccn2c1CN1CCC[C@H](c2cc(=O)[nH]c(-c3cccnc3)n2)C1 72393140 QFGDPNVMNTWAIA-INIZCTEOSA-N 406.515 3.229 0 40 HGAB COc1ccc(CC(=O)N2CCC([C@@H]3C[C@H](C(F)(F)F)n4ncnc4N3)CC2)cc1 72395586 WLNDZIQWZITBSN-DLBZAZTESA-N 423.439 3.056 0 40 HGAB Cc1cc(Br)ccc1SCC(=O)N[C@@](C)(C(N)=O)c1ccccc1 78720316 JRICHMMQWCVBJW-GOSISDBHSA-N 407.333 3.367 0 40 HGAB CN(C)c1nc2cc(C(=O)N3CCc4c(cccc4N4CCOC4=O)C3)ccc2o1 89326904 MEHSEYRVYURCBW-UHFFFAOYSA-N 406.442 3.049 0 40 HGAB CCc1nc2ccccc2n1CC(=O)Nc1ccc(CC(=O)N2CCSCC2)cc1 95957793 BHXHWPLYXLMJMW-UHFFFAOYSA-N 422.554 3.355 0 40 HGAB Cc1cccc(OCCC(=O)NCCN2C(=O)S/C(=C/c3cccnc3)C2=O)c1 97674648 SUZXWZUALQQOTD-QGOAFFKASA-N 411.483 3.012 0 40 HGAB COc1ccc(C(=O)NC2CCN(c3cc(-c4ccc(OC)cc4)n[nH]3)CC2)cc1 98212759 GYXNCDRJPFYNTC-UHFFFAOYSA-N 406.486 3.493 0 40 HGAB O=C(CS[C@H]1CC(=O)N(CCc2ccccc2)C1=O)Nc1cccc(Cl)c1 100058173 MDZGHORSARKELZ-KRWDZBQOSA-N 402.903 3.382 0 40 HGAB Cc1cc(N2C[C@]34C=C[C@@H](O3)[C@H](C(=O)Nc3cccc5ccccc35)[C@@H]4C2=O)no1 101446432 AXKDXJQYOWITQX-JWRIFHQMSA-N 401.422 3.061 0 40 HGAB C[C@@H](NC(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@@H]1C[C@H]2CC[C@H]1C2 104811655 DLKWLPDCMYKTLD-SAJDGTNDSA-N 404.576 3.345 0 40 HGAB CC(=O)c1cccc(NC(=O)CN(c2ccc(C(F)(F)F)cc2)S(C)(=O)=O)c1 220045385 NCAJMWFYGLLJND-UHFFFAOYSA-N 414.405 3.313 0 40 HGAB CCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)COc1ccccc1 222984922 NQLSKCZIQKHDRC-HNNXBMFYSA-N 419.319 3.381 0 40 HGAB Cc1nc(N2CCOCC2)nc(C)c1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 224303246 ISGGBQVEJVNOAR-UHFFFAOYSA-N 417.318 3.038 0 40 HGAB Cc1cc(=O)oc2cc(NC(=O)[C@@H](CCCCN)NC(=O)OC(C)(C)C)ccc12 224537178 BDIWFURAJXIIAA-MRXNPFEDSA-N 403.479 3.062 0 40 HGAB CN(CC(=O)N1CCS/C1=C/c1cccs1)S(=O)(=O)c1ccc(F)cc1 225232897 YTMIEAJPPHIQOJ-GZTJUZNOSA-N 412.533 3.082 0 40 HGAB O=C(NCCSC1CCCCC1)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 225505699 PQZNGHCVSPFMMR-KRWDZBQOSA-N 410.605 3.269 0 40 HGAB C[C@H](O)c1c(-c2ccc(Cl)cc2)noc1C(=O)N1CCN(c2ccccn2)CC1 253403449 PXASUYNJUDNYRJ-AWEZNQCLSA-N 412.877 3.406 0 40 HGAB biogenic,in-vitro CC(=O)N[C@H]1CC[C@](CNC(=O)CCC2CCCC2)(c2ccccc2)CC[C@@H]1O 257330458 XONOICCSYJMGRO-FIXSFTCYSA-N 400.563 3.451 0 40 HGAB Cc1nn(C)cc1S(=O)(=O)N1CCCC[C@@H]1c1ncc(Cc2ccc(F)cc2)o1 257331007 XQZIVBHXKGOQPH-GOSISDBHSA-N 418.494 3.362 0 40 HGAB COc1ccc([C@H]2CN(Cc3ccccc3)[C@@H]3CCN(C(=O)COC(C)=O)C[C@H]23)cc1 257332619 XYAUOJYTFKRWGQ-WXFUMESZSA-N 422.525 3.075 0 40 HGAB Cc1ccc(CNC(=O)[C@H]2CN(C)CC3(CCN(Cc4ccsc4)CC3)O2)cc1 306140268 UOOSANJXGHRVCO-OAQYLSRUSA-N 413.587 3.038 0 40 HGAB O=C(CNC(=O)C(c1ccccc1)c1ccccc1)OCC(=O)c1ccc(F)cc1 408999389 CQEZHWUKRIFHNG-UHFFFAOYSA-N 405.425 3.500 0 40 HGAB COc1cc(OC)c(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)cc1Cl 409209015 DYOWBOVIQROZIT-SXGWCWSVSA-N 424.906 3.406 0 40 HGAB CC(C)c1ccc(CN2CCC[C@H](n3ncc(N4CCC(O)CC4)cc3=O)C2)cc1 583621929 VFCOMTSSVOSJTB-NRFANRHFSA-N 410.562 3.165 0 40 HGAB Cn1cnc([C@@H]2C[C@@]3(CCCN(CC4CC4)C3=O)CN2C(=O)c2cccc(F)c2)c1 585106425 FPPYNMLGBJTDKF-REWPJTCUSA-N 410.493 3.165 0 40 HGAB O=C(NCc1nc(-c2ccncc2)no1)[C@H]1CCCN(c2nc3ccccc3s2)C1 612170761 ZHPZVPNARFQYHB-HNNXBMFYSA-N 420.498 3.274 0 40 HGAB COCc1cn(C2C[C@@H]3CC[C@H](C2)N3S(=O)(=O)c2ccc(C(C)(C)C)cc2)nn1 1888888316 HNGMYNGSXKVCFC-DFNIBXOVSA-N 418.563 3.279 0 40 HGAB CC(=O)N1CCCC[C@@H]2N(CC3(O)CCN(c4ccc(F)cc4)CC3)CCC[C@@]21C 2037846422 QZKXDGBLPHYJQY-GOTSBHOMSA-N 417.569 3.413 0 40 HGAB Cc1cc(OC[C@]2(O)CCCN(C(=O)CCc3cnn(C)c3)CC2)cc(C)c1Cl 2037912737 XKKQVHPLTUXJGJ-QFIPXVFZSA-N 419.953 3.446 0 40 HGAB O=C(C1CCN(c2ncc(Cl)cc2Br)CC1)N1CCSCC1 2298094956 USGMKTNMFIMXBL-UHFFFAOYSA-N 404.761 3.289 0 40 HGAB Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccncc2)C2CCCCC2)cc1 794327 WTJKXKHQDHPALN-UHFFFAOYSA-N 401.532 3.030 0 40 HGAB COc1ccc(C(=O)COC(=O)CCn2nnc(-c3ccc(C(C)C)cc3)n2)cc1 896386 BWLSGQQUIIWEKL-UHFFFAOYSA-N 408.458 3.288 0 40 HGAB CCOC(=O)C1CCN(c2cnn(-c3nc4ccccc4s3)c(=O)c2Cl)CC1 2348472 STDTZZCEJPGESN-UHFFFAOYSA-N 418.906 3.275 0 40 HGAB CC(C)CC(=O)Nc1ccc(C(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)cc1 2637140 CAFPTJGVJBJCEJ-XMMPIXPASA-N 419.481 3.247 0 40 HGAB O=C(O)c1cc(-c2ccc(/C=c3\sc4nc5ccccc5n4c3=O)o2)ccc1O 3043732 ULDFWURKJLFGIL-ZDLGFXPLSA-N 404.403 3.121 0 40 HGAB COC(=O)c1c(NC(=O)CSc2nnc(C3CCCCC3)n2N)sc(C)c1C 3443762 MPTKRPPBOVDBCJ-UHFFFAOYSA-N 423.564 3.235 0 40 HGAB Cc1cc2oc(=O)cc(CN3C(=O)N[C@]4(CCOc5ccccc54)C3=O)c2cc1Cl 3450378 JWCYUFDRYVONHL-QFIPXVFZSA-N 424.840 3.485 0 40 HGAB CCOc1ccccc1NC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCC2)c1 3472659 ZKRXAWYUIQPSQO-UHFFFAOYSA-N 404.488 3.131 0 40 HGAB CN1C(=O)C(Cc2cn(Cc3cnc(Cl)s3)c3ccccc23)C(=O)N(C)C1=O 4053857 LQIOQJCCMQZSHW-UHFFFAOYSA-N 416.890 3.009 0 40 HGAB O=C(O)CN1C(=O)S/C(=C\c2cccn2-c2cccc(Br)c2)C1=O 4676395 DGXBAHHHABGJKD-JYRVWZFOSA-N 407.245 3.361 0 40 HGAB COc1ccc(CCNC(=O)c2cc(-c3ccc(OC)c(OC)c3)on2)cc1OC 4880887 FTQHHRBAPAHGKK-UHFFFAOYSA-N 412.442 3.349 0 40 HGAB biogenic CCn1cc(C2=NO[C@@H](C(=O)Nc3c(C)nn(Cc4ccc(F)cc4)c3C)C2)c(C)n1 5053536 SPZKOAAFKYPJLF-HXUWFJFHSA-N 424.480 3.344 0 40 HGAB Cn1nc(C(=O)OCC(=O)Nc2ccccc2-c2ccccc2)c2ccccc2c1=O 5415609 CPIZLNJQIDMZAA-UHFFFAOYSA-N 413.433 3.396 0 40 HGAB C[C@@H](OC(=O)/C=C/c1ccc2ccccc2n1)C(=O)NCc1ccc2c(c1)OCO2 6120873 GWJFWNJYGSWMGP-SLZMIMFISA-N 404.422 3.225 0 40 HGAB O=S(=O)(c1cccc(CSc2ccc3c(c2)OCCCO3)c1)N1CCOCC1 6436926 LMDNPVIRBTWZJZ-UHFFFAOYSA-N 421.540 3.161 0 40 HGAB CCc1ccc(N2C[C@@H](C(=O)OCC(=O)N[C@@H]3CCCc4ccccc43)CC2=O)cc1 6619741 BNRZLMPDRJISEF-SIKLNZKXSA-N 420.509 3.339 0 40 HGAB O=C(Nc1cccc(S(=O)(=O)N2CCCCCC2)c1)c1cnc2ccccc2n1 6647086 SZNQQFQOBXTKMR-UHFFFAOYSA-N 410.499 3.447 0 40 HGAB COc1ccc(CNC(=O)COCc2cc(-c3ccc(F)cc3)on2)cc1OC 6876481 QSQMFAGAFMNHIN-UHFFFAOYSA-N 400.406 3.331 0 40 HGAB CCCCCC(=O)Nc1ccc(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)cc1 7155458 SVWCYBIFRMRLPR-UHFFFAOYSA-N 414.483 3.233 0 40 HGAB Cc1cc(C(=O)CSc2nnnn2C[C@@H]2CCCO2)c(C)n1Cc1cccs1 8327076 DTUFZJJIPXPPTH-HNNXBMFYSA-N 417.560 3.355 0 40 HGAB Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccccc3C)c(=O)n2C)cc1 8361845 ZJOINBQFDKHCIW-UHFFFAOYSA-N 415.497 3.104 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCCC[C@@H]2c2cccn2C)cc1NC(C)=O 9585054 QLGKKCYSFZINJD-LJQANCHMSA-N 405.520 3.298 0 40 HGAB Nc1nccnc1C(=O)OCC(=O)Nc1c(Cl)c(Cl)cc(Cl)c1Cl 10138215 GJRYOGSNPMLFEB-UHFFFAOYSA-N 410.044 3.468 0 40 HGAB COc1ccc(F)cc1S(=O)(=O)N1CCC(C(=O)Nc2ccccc2F)CC1 10302939 GOOWYWDUXGVCAD-UHFFFAOYSA-N 410.442 3.013 0 40 HGAB COc1ccc(S(=O)(=O)NCCCN2C[C@@H](C)C[C@@H](C)C2)cc1Br 10544044 LTJBWQVGFSIDCC-OKILXGFUSA-N 419.385 3.104 0 40 HGAB Cc1cc(S[C@H](C)C(=O)N[C@@H]2CCS(=O)(=O)C2)nc2c(C(C)C)cccc12 12537885 RPXQNJXDFUHKBM-HUUCEWRRSA-N 406.573 3.451 0 40 HGAB Cc1cc(NC(=O)[C@@H](C)SCC(=O)N[C@H](C)c2ccc(-n3ccnc3)cc2)no1 12547490 QYPDNAMEMJLLNN-HUUCEWRRSA-N 413.503 3.106 0 40 HGAB C[C@@H]1CCc2c(sc3nc(CCN4CCN(c5ccccn5)CC4)nc(N)c23)C1 12606715 BUSUPTNBXZHLMR-OAHLLOKOSA-N 408.575 3.158 0 40 HGAB Cc1ccc(-c2noc(CN3CCN(C(=O)COc4cc(C)cc(C)c4)CC3)n2)cc1 12760007 NSNIREUFXOXEEL-UHFFFAOYSA-N 420.513 3.385 0 40 HGAB O=C(NCc1ccccc1S(=O)(=O)N1CCCCC1)c1ccc(OC(F)F)cc1 12776279 RCHAMYZXTLAEKC-UHFFFAOYSA-N 424.469 3.393 0 40 HGAB COC(=O)c1c(CN(C)[C@@H]2CCS(=O)(=O)C2)nc2ccccc2c1-c1ccccc1 15376314 BOAVIZPBCQSBBM-QGZVFWFLSA-N 424.522 3.307 0 40 HGAB COc1ccc(OC)c(NC(=O)CCc2nc(-c3ccc(OC)c(OC)c3)no2)c1 15582276 PMLVCGHSFVFZRL-UHFFFAOYSA-N 413.430 3.342 0 40 HGAB CSCC[C@@H](NC(=O)c1ccccc1)C(=O)Nc1ccc2c(c1)OC(F)(F)O2 16104477 BFDQBDQPJWWCFG-CQSZACIVSA-N 408.426 3.498 0 40 HGAB O=C(NCc1cccc(CN2CCCCCC2)c1)[C@@H]1CC(=O)N(Cc2ccccn2)C1 19401460 VKTVUTKMMNXJBY-JOCHJYFZSA-N 420.557 3.123 0 40 HGAB COc1ccc([C@H](c2nnnn2C(C)C)N2CCN(c3ccccc3F)CC2)cc1 19454661 VWENXYGSARNLCZ-OAQYLSRUSA-N 410.497 3.313 0 40 HGAB Cc1cc(C)c(-n2cccn2)c(CN2CCc3c(nc(-c4ccncc4)[nH]c3=O)C2)c1 19566911 VOIHELPMWAZZOV-UHFFFAOYSA-N 412.497 3.193 0 40 HGAB COc1ccccc1[C@H](CNCc1cc(-c2ccccc2)cn2nnnc12)N(C)C 19581509 SXAIIJMYPLEQOL-NRFANRHFSA-N 402.502 3.192 0 40 HGAB Cc1nc(CC(=O)N2CCC[C@@H]2c2ccc(C(=O)Nc3nccs3)cn2)cs1 19708181 RBWOMFPTSZTTSO-MRXNPFEDSA-N 413.528 3.462 0 40 HGAB CCOC(=O)[C@H]1C(=O)N(CCCOC)c2nc3ccccc3n2[C@H]1c1cccs1 19818342 QRKXYFWLIXHTCD-MSOLQXFVSA-N 413.499 3.250 0 40 HGAB O=C1C[C@H](N2CCN(C/C=C/c3ccccc3)CC2)C(=O)N1Cc1ccc(Cl)cc1 19877471 VKSBAZAEWUHMLS-SNXGKTBFSA-N 423.944 3.299 0 40 HGAB CCCCNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1cc(Cl)ccc1OC 20009322 XZZVWMDPNOBLTA-KRWDZBQOSA-N 424.950 3.155 0 40 HGAB O=C(Cc1ccc(Br)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 20158549 GHCBIMMNPASMRJ-UHFFFAOYSA-N 417.303 3.065 0 40 HGAB Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccc(F)cc1)N(CCN1CCOCC1)C3=O 20308559 CBZLKADNOMAMKJ-NRFANRHFSA-N 422.456 3.118 0 40 HGAB CCOCCCNC(=O)c1ccc2c(c1)C[C@@H](C)N2S(=O)(=O)c1ccc(F)cc1 20449706 RMWGKAUAOQDVGY-OAHLLOKOSA-N 420.506 3.122 0 40 HGAB CCOC(=O)[C@H]1CCCN(C(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)C1 20529259 RREWUZWDQIMEGT-SFHVURJKSA-N 404.470 3.350 0 40 HGAB O=C(O)[C@@H](c1c[nH]c2cc(Br)ccc12)N1CCN(c2ccccn2)CC1 20726288 CJNVYKLVQPXYCS-GOSISDBHSA-N 415.291 3.273 0 40 HGAB CCCc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)COC)CCC3)cc1 21756765 FPCLZGVZWCZVBD-UHFFFAOYSA-N 402.516 3.366 0 40 HGAB C[C@H](NCc1ccccc1CN1CCOCC1)C(=O)Nc1ccccc1OC(F)F 22025098 TZMVYBVXWZDFQZ-INIZCTEOSA-N 419.472 3.237 0 40 HGAB CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](C)CC)cc1C 22247310 KALBZPCNEYABHX-YLJYHZDGSA-N 418.559 3.198 0 40 HGAB Cc1ccccc1CCNC(=O)CN1CCN(CCOc2ccc(Cl)cc2)CC1 22796734 CYMCQEQVISGISM-UHFFFAOYSA-N 415.965 3.004 0 40 HGAB C[C@]1(c2ccco2)NC(=O)N(CC(=O)c2ccc(NC(=O)c3ccccc3)cc2)C1=O 23881171 WEKBYRGHASUFHW-HSZRJFAPSA-N 417.421 3.182 0 40 HGAB CCOc1cc2c(cc1CNC(=O)CCn1c(=O)n(CC)c3ccccc31)O[C@@H](C)C2 24701618 DLAIBCOQNOIDCG-INIZCTEOSA-N 423.513 3.252 0 40 HGAB C[C@@H]1CCCN(S(=O)(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)C1 28082814 LRUKYMGEKUULNA-HXUWFJFHSA-N 413.587 3.370 0 40 HGAB Cc1ccc(-c2cc(C(=O)N3CCC(C)CC3)nn2[C@@H]2CCS(=O)(=O)C2)cc1 33325509 UHIHXVBCNPPBQC-GOSISDBHSA-N 401.532 3.090 0 40 HGAB O=C(Cn1nc2c(Oc3ccccc3)nc3ccccc3n2c1=O)NC1CCCCC1 35425156 UYHWARPVQRWUBW-UHFFFAOYSA-N 417.469 3.285 0 40 HGAB O=S(=O)(Nc1cc2c(cc1Br)OCCO2)c1c(F)cccc1F 36822176 ITCYCOAFCZZJAA-UHFFFAOYSA-N 406.204 3.299 0 40 HGAB COC(=O)c1ccc(OC(=O)Cn2c(-c3ccc(F)cc3)c(C)sc2=O)cc1 40128374 LYJUQRHTMOADLN-UHFFFAOYSA-N 401.415 3.417 0 40 HGAB CC(C)Cn1c(=O)c2ccccc2n(CC(=O)Nc2cccc(C(F)(F)F)c2)c1=O 40478556 RGGNXCDNISRTSI-UHFFFAOYSA-N 419.403 3.477 0 40 HGAB CN(Cc1nnc2n1CCCCC2)C(=O)CCCc1nc(-c2cccs2)no1 42955427 JFRSXFPQVVYLPH-UHFFFAOYSA-N 400.508 3.097 0 40 HGAB CNC(=O)c1cc(S(=O)(=O)N[C@H](c2ccccc2)c2ccccc2C)ccc1OC 44846675 AZQLEENMTBGEEB-JOCHJYFZSA-N 424.522 3.431 0 40 HGAB COc1cccc(O[C@H](C)C(=O)Nc2ccccc2C(=O)NCc2cccnc2)c1 44948898 GTXFTMIXWARYAE-MRXNPFEDSA-N 405.454 3.426 0 40 HGAB COc1ccc(CCNC(=O)CNc2cccc(I)c2)cc1 46170454 DEIXBAUZWYPHDG-UHFFFAOYSA-N 410.255 3.071 0 40 HGAB O=C(NC[C@H]1CCCCN1S(=O)(=O)c1cc(F)ccc1F)Nc1ccccc1 46800328 QAGDIGGPDHLBGV-MRXNPFEDSA-N 409.458 3.330 0 40 HGAB O=C(CN1CCC[C@H]1c1nnc2ccccn12)N1CCC(Cc2ccccc2)CC1 48308571 IFYALSPKJQKRMQ-NRFANRHFSA-N 403.530 3.348 0 40 HGAB Cc1cccc(NC(=O)CN2C(=O)N[C@H](c3cc(C)ccc3C)C3=C2COC3=O)c1 67288690 WHRKJCPIATVYKI-OAQYLSRUSA-N 405.454 3.128 0 40 HGAB COC(=O)c1nc(NC(=O)CCCN2Cc3ccccc3C2=O)sc1C(C)C 72401882 XMBYELSTVXDKAX-UHFFFAOYSA-N 401.488 3.428 0 40 HGAB Cc1ccccc1OCC(=O)N1CCC(OCCCNC(=O)OC(C)(C)C)CC1 79013568 LLIMJHRKKPEIRB-UHFFFAOYSA-N 406.523 3.296 0 40 HGAB C[C@@H](C(=O)N1CCCCC1)N1CCN(Cc2c(Cl)ccc3cccnc23)CC1 79065356 DABVJFJETSTHJD-KRWDZBQOSA-N 400.954 3.407 0 40 HGAB Cc1cc(C(=O)NCc2ccccc2CN2CC[C@@H](O)C2)ccc1NC(=O)CC(C)C 96006416 ZRRZSLAUIGSMLI-JOCHJYFZSA-N 423.557 3.476 0 40 HGAB COC(=O)C[C@@H](c1ccc(OC)c(O)c1)c1c(O)n[nH]c1Cc1ccc(OC)cc1 96114218 IFMKPPQAOITXTE-INIZCTEOSA-N 412.442 3.124 0 40 HGAB biogenic COC(=O)CN1C(=O)C(C)(C)c2cc(NC(=O)c3ccc(Br)o3)ccc21 96182198 YGZKAHNFCYMKNI-UHFFFAOYSA-N 421.247 3.092 0 40 HGAB Cc1cccc(C)c1NC(=O)CN1N=N[C@H]2C(=O)N(c3ccc(C(C)C)cc3)C(=O)[C@@H]21 101170574 PRWPHYKMELVVDO-NHCUHLMSSA-N 419.485 3.359 0 40 HGAB NC(=O)c1c(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2CC3)sc2c1CCc1ccccc1-2 102335214 SEYHZYZQXTWQKY-PYTWLRIVSA-N 422.506 3.464 0 40 HGAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)N1CC[C@H]2CCCC[C@@H]2C1 102469758 NSFVCQRQGUFABE-RCCFBDPRSA-N 407.580 3.084 0 40 HGAB COc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(Cl)c(F)c4)C(=O)[C@@H]3N3CCCN23)cc1 102689645 HWWGJZVERBDGHY-CEXWTWQISA-N 415.852 3.023 0 40 HGAB C[C@@H](C(=O)Nc1cccc(NC(=O)c2cccs2)c1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 102732927 XLQRYYOQHPQMOM-RRQGHBQHSA-N 423.494 3.279 0 40 HGAB CCOc1ccc(N2C(=O)[C@@H]3C(C(C)=O)=NN(c4ccccc4Cl)[C@@H]3C2=O)cc1 103132607 BXUMKEUQRSWZDZ-MJGOQNOKSA-N 411.845 3.062 0 40 HGAB CCc1ccc(N(CC(=O)n2cc(C(=O)OC)c3ccccc32)S(C)(=O)=O)cc1 222587724 UBPVZIPFZBKVDJ-UHFFFAOYSA-N 414.483 3.097 0 40 HGAB Cc1cccc(N(CCCC(=O)N2CCc3ccccc3C2)S(C)(=O)=O)c1C 222628468 WQQHNGZWTFNUIL-UHFFFAOYSA-N 400.544 3.435 0 40 HGAB CCOc1ccc(N(CC(=O)NCc2cccc3ccccc23)S(C)(=O)=O)cc1 222838665 INAZROLEXCFPMO-UHFFFAOYSA-N 412.511 3.321 0 40 HGAB Cc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)NCCCOC(C)C)c2)cc1 224261613 KFNZUJHMVBOSKS-UHFFFAOYSA-N 404.532 3.365 0 40 HGAB O=C(CCc1nc(-c2ccc(I)cc2)no1)NCc1ccco1 225837776 FZRBRYRBPCSRMO-UHFFFAOYSA-N 423.210 3.183 0 40 HGAB COc1cc(N)cc(Br)c1NC(=O)c1cc(OC)c(OC)c(OC)c1 227147321 NXJDKFGHXXYVNJ-UHFFFAOYSA-N 411.252 3.318 0 40 HGAB COc1ccc(CNC(=O)[C@H]2[C@@H]3[C@H]2CC[C@]32CC(=O)c3ccccc3O2)cc1OC 247893349 NJSSWXZFUOZIBC-AGQAUITCSA-N 407.466 3.380 0 40 HGAB CN1CC[C@@H](COCc2ccncc2)CC12CN(C(=O)c1cc3c(s1)CCC3)C2 306134530 NQIBHQPYGUDTCN-GOSISDBHSA-N 411.571 3.385 0 40 HGAB COC[C@@H](C)NC(=O)CN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccc(C)cc1 408613657 XAPVSZPALRUBEL-MRXNPFEDSA-N 424.950 3.303 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCCC1=CCCCC1 408703898 VIYXRWGUGTYCAZ-UHFFFAOYSA-N 406.548 3.490 0 40 HGAB O=C(c1cc(-c2ccc(F)cc2)[nH]n1)N1CCC[C@H](Oc2ncc(Cl)cn2)C1 575613228 PSVVARREJFGSGJ-HNNXBMFYSA-N 401.829 3.343 0 40 HGAB CCC(=O)N1CCO[C@](COc2ccc(Cl)c(C)c2)(CC(=O)N2CCCCC2)C1 585284768 IPCHDBHCIASPAH-JOCHJYFZSA-N 422.953 3.437 0 40 HGAB COC(=O)c1ccc(OC)c(S(=O)(=O)NCc2cc(-c3ccco3)cs2)c1 1775968820 MFXWGLJTUHOCNL-UHFFFAOYSA-N 407.469 3.282 0 40 HGAB Cc1ncnc(OCC2CCN(C(=O)C3(c4ccccc4)CCOCC3)CC2)c1C 1776001370 PKXXAYLCQSHZOS-UHFFFAOYSA-N 409.530 3.459 0 40 HGAB CN1CCN(C(=O)Cc2ccccc2F)[C@@H](Cc2ccc(-c3ccncc3)cc2)C1=O 1848351788 DSELXHOZEDIPBA-QHCPKHFHSA-N 417.484 3.342 0 40 HGAB CCCn1ccnc1CN1CCC[C@]2(CC1)CN(c1cccc(F)c1)C(=O)CO2 2037839730 BRRPFEIARKKCKA-QFIPXVFZSA-N 400.498 3.220 0 40 HGAB CC(C)n1nc(-c2ccccc2)nc1[C@H]1CC[C@@H](O)[C@H](NC(=O)C2CCOCC2)C1 2332241474 VBDOZRXQPLHCQH-XUVXKRRUSA-N 412.534 3.066 0 40 HGAB CCOC(=O)c1ccc(NC(=O)CSc2nnc3c4ccccc4n(C)c3n2)cc1 1068459 FIVXEDXPMJFFPE-UHFFFAOYSA-N 421.482 3.424 0 40 HGAB C[C@H]1CCC[C@@H](C)N1C(=O)CSc1nnc(Cc2ccc3c(c2)OCO3)n1C 1325507 UDJCFNPHJWDUBZ-OKILXGFUSA-N 402.520 3.016 0 40 HGAB COc1ccc(CCNS(=O)(=O)c2ccc(Br)s2)cc1OC 2438249 OYQZLXYJAXMVPQ-UHFFFAOYSA-N 406.323 3.049 0 40 HGAB COc1cccc(OC)c1C(=O)OCc1nc2sc3c(c2c(=O)[nH]1)CC[C@@H](C)C3 3305708 WDHIPCSPVIFCNI-LLVKDONJSA-N 414.483 3.484 0 40 HGAB O=S(=O)(Nc1ncccn1)c1ccc(NC(=S)Nc2ccc(F)cc2)cc1 3310339 LVPIWSXNZXSURI-UHFFFAOYSA-N 403.464 3.225 0 40 HGAB COc1ccccc1OCCn1cc(/C=C2\NC(=S)N(C)C2=O)c2ccccc21 4369136 OUJKZJZVYSIPMR-LGMDPLHJSA-N 407.495 3.416 0 40 HGAB CN(C)CCCN1C(=O)c2[nH]nc(-c3ccc([N+](=O)[O-])cc3)c2[C@@H]1c1ccccc1 4576451 CQQGIIZEUJHMSH-NRFANRHFSA-N 405.458 3.482 0 40 HGAB COc1ccc(NC(=O)CCCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 4600559 CDFAKEDLURSBLL-UHFFFAOYSA-N 422.485 3.241 0 40 HGAB CN1C(=O)N[C@H](c2ccc(Br)cc2)C2=C1CN(c1cccc(O)c1)C2=O 4776456 ONABYAHPZJAGNU-QGZVFWFLSA-N 414.259 3.152 0 40 HGAB O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1cccc(Cl)c1Cl 5633612 URAUAYAVRSFXKD-UHFFFAOYSA-N 415.298 3.267 0 40 HGAB Cc1ccc(C)c(N2N=C(C(=O)Nc3ccccc3N3CCOCC3)CCC2=O)c1 5931498 VLALPBSXPIKJEQ-UHFFFAOYSA-N 406.486 3.262 0 40 HGAB C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)NCc2ccccn2)c1 6167900 ZZKIUNUKFUPZSV-MRXNPFEDSA-N 407.495 3.152 0 40 HGAB Cn1c(SCCN2CCCC2)nnc1C1CCN(C(=O)Nc2ccccc2)CC1 6234745 QXALYJJNPSFARV-UHFFFAOYSA-N 414.579 3.415 0 40 HGAB Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)Nc2ccc(F)c(F)c2F)c(C)c1 6314420 MKRMLJBIHCILIU-UHFFFAOYSA-N 400.422 3.288 0 40 HGAB O=C(Nc1cccnc1Cl)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 7683718 YPKHSJUKXQHECH-AWEZNQCLSA-N 400.287 3.180 0 40 HGAB C[C@H](C(=O)NCCSCc1ccco1)N(c1cccc(Cl)c1)S(C)(=O)=O 7872120 FXHAZMMHAMOXOF-CYBMUJFWSA-N 416.952 3.137 0 40 HGAB CC1CCN([C@@H](CNC(=O)Cn2cnc3ccccc3c2=O)c2cccs2)CC1 8272674 SQUQAVVIJSDMML-IBGZPJMESA-N 410.543 3.047 0 40 HGAB CC(=O)Nc1ccc(NC(=O)COC(=O)CCC(=O)Nc2cccc(Cl)c2)cc1 8414025 XYJVDTWNQKPEGQ-UHFFFAOYSA-N 417.849 3.199 0 40 HGAB COC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(NC(C)=O)cc1 8729514 AHYDNMFVHQZDOO-UHFFFAOYSA-N 404.488 3.137 0 40 HGAB O=c1c2ncccc2n(Cc2cccc(C(F)(F)F)c2)c(=O)n1Cc1ccccn1 9001162 NKBNAOYMIYMWJX-UHFFFAOYSA-N 412.371 3.069 0 40 HGAB CCCCN1C(=O)NC(=O)[C@]2(Cc3cc4cc(C)ccc4nc3N3CCCC[C@@H]32)C1=O 9138085 KCPCDTNNTCDLKP-NTKDMRAZSA-N 420.513 3.323 0 40 HGAB O=C(COCc1nc2ccccc2s1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 9377582 NPTLYMNWONSNCB-UHFFFAOYSA-N 422.510 3.320 0 40 HGAB O=C(NCc1nnnn1-c1ccc(F)cc1)C1c2ccccc2Oc2ccccc21 9571060 MOIMIFUUESCEGX-UHFFFAOYSA-N 401.401 3.355 0 40 HGAB CCS(=O)(=O)c1ccc(-c2ccc(NC(=O)c3ccc(F)cc3F)cc2)nn1 9787088 AYQFKFRYNUTREW-UHFFFAOYSA-N 403.410 3.468 0 40 HGAB CCSc1ccc(CC(=O)Nc2sc3c(c2C(N)=O)CCN(C(C)=O)C3)cc1 10252491 ASZWHUGURRIXHO-UHFFFAOYSA-N 417.556 3.045 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCC(NC(=O)c3cccc(OC(F)F)c3)CC2)cc1 10565077 CJHUEOOTANTUHL-UHFFFAOYSA-N 424.469 3.180 0 40 HGAB C[C@H](NCC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1)c1ccc2ccccc2c1 12904903 NYUTYECZKXFKIT-HTAPYJJXSA-N 414.571 3.449 0 40 HGAB CC[C@H](C(=O)Nc1ccc(OC)cc1OC)N(c1ccc(F)cc1)S(C)(=O)=O 13715254 RQVNEJHSHKJBTM-QGZVFWFLSA-N 410.467 3.026 0 40 HGAB Cc1ccc(C)c(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)c1 13856520 BFAMSMXKPFIGKW-HNNXBMFYSA-N 400.862 3.492 0 40 HGAB CCOc1ccc(NC(=O)NC(=O)CN2CCC[C@@H](C(F)(F)F)C2)cc1OCC 14197417 GCSNCHUNXWRDKT-CYBMUJFWSA-N 417.428 3.406 0 40 HGAB CC(=O)Nc1ccc(NC(=O)[C@@H](C)Sc2nnc(NC[C@H]3CCCO3)s2)cc1 14246736 OIZDVRIGKSPAIY-IAQYHMDHSA-N 421.548 3.207 0 40 HGAB CC[C@H](NC(=O)CN1C(=O)COc2ccccc21)c1ccc(Br)cc1 14597014 RYZAWWLCWMBHJE-HNNXBMFYSA-N 403.276 3.442 0 40 HGAB CN(C)S(=O)(=O)c1cccc(NC(=O)CCCSc2nc3ccccc3[nH]2)c1 14907153 NQSUIAPISZOSIJ-UHFFFAOYSA-N 418.544 3.324 0 40 HGAB O=C(CN(C1CCCCC1)S(=O)(=O)c1ccccc1)NCCc1ccccc1 16479268 MANMHSSZOPEWGM-UHFFFAOYSA-N 400.544 3.369 0 40 HGAB COC(=O)C1CCN(C(=O)Cn2c(COc3ccc(C)cc3)nc3ccccc32)CC1 16695636 WCHBPGFDIHOGAM-UHFFFAOYSA-N 421.497 3.335 0 40 HGAB NS(=O)(=O)c1ccc(CCNC(=O)c2cc3c(s2)-c2ccccc2CC3)cc1 17125180 IIWJZYGGJLOPEA-UHFFFAOYSA-N 412.536 3.134 0 40 HGAB CC(C)c1cc(C(=O)N2CC[C@](Cc3ccccc3-c3ccncc3)(C(N)=O)C2)[nH]n1 19451737 MAPZKUBPXFFQAU-XMMPIXPASA-N 417.513 3.155 0 40 HGAB COc1ccc(C2=NO[C@](C)(C(=O)N[C@H](c3ccc(F)cc3)c3nccn3C)C2)cc1 19460855 QCTPUKWTISZPHF-OFNKIYASSA-N 422.460 3.357 0 40 HGAB CCC[C@@H](c1nnnn1Cc1ccc(OC)cc1)N1CCN(Cc2ccccc2)CC1 19501931 VLMZIRYVMQEMHY-QHCPKHFHSA-N 420.561 3.389 0 40 HGAB CCN1CCN(C(=O)c2nccn2C)C[C@@H](Cc2ccc(-c3cccs3)cc2)C1=O 19527438 DEHFGEHJIFHEFL-LJQANCHMSA-N 422.554 3.312 0 40 HGAB Cc1c(C(=O)N2CC[C@@H](c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](C(C)C)N4)C2)cnn1C 19553146 JTBCJYKCOPOWTQ-UKPHBRMFSA-N 424.471 3.498 0 40 HGAB COc1cccc(-c2noc(CCC(=O)N3CCN(C)C[C@H]3c3ccccc3)n2)c1 19589356 GJTXMUUEIDCAMJ-FQEVSTJZSA-N 406.486 3.193 0 40 HGAB CN(C)c1ncc(-c2ccc(F)cc2)c([C@@H]2CCCN(CC(=O)N3CCCC3)C2)n1 19687482 CITUYJCQHMNXLW-GOSISDBHSA-N 411.525 3.151 0 40 HGAB CN(C)c1ncc(-c2ccc(F)cc2)c([C@H]2CCCN(C(=O)c3cnn(C)c3)C2)n1 19694192 DSNLUFBOOGFLDR-INIZCTEOSA-N 408.481 3.102 0 40 HGAB CN(C)c1ncc(-c2ccc(Cl)cc2)c([C@H]2CCCN(C(=O)Cn3cccn3)C2)n1 19694248 BMDCTZPPYKNRCE-KRWDZBQOSA-N 424.936 3.466 0 40 HGAB O=C(Nc1cnn(Cc2cccc(F)c2)c1)[C@H]1CC(=O)N(Cc2cccc(F)c2)C1 19718376 OAKLAXPANDWTHW-KRWDZBQOSA-N 410.424 3.197 0 40 HGAB O=C(N1CCN(c2nnnn2-c2ccccc2)CC1)C1(c2cccc(Cl)c2)CCC1 24779106 VYJRPSABSQGDCP-UHFFFAOYSA-N 422.920 3.086 0 40 HGAB CS(=O)(=O)Nc1cc(NC(=O)c2cc(F)ccc2Br)ccc1F 24929451 DSIRQZQGTFAPLY-UHFFFAOYSA-N 405.220 3.351 0 40 HGAB Cn1ccnc1C(=O)c1ccc(NC(=O)c2ccc(OC[C@H]3CCCO3)cc2)cc1 25060139 RXZFXDDTXOCJGW-HXUWFJFHSA-N 405.454 3.461 0 40 HGAB O=C(Nc1ccc(-n2cnnn2)cc1)c1cc(=O)c2cc(Cl)cc(Cl)c2o1 27912449 KHBOPUXZTJHAGA-UHFFFAOYSA-N 402.197 3.328 0 40 HGAB CCn1cc(CNC(=O)[C@H](C)n2nc(C(F)(F)F)c(Br)c2C)cn1 28229408 ZPYYZSNPWAHFSM-VIFPVBQESA-N 408.222 3.067 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)COc1ccc(Cl)cc1 30854267 HZWUPGWTQRHCNF-UHFFFAOYSA-N 424.906 3.151 0 40 HGAB CC(C)[C@@H](NC(=O)c1ccco1)C(=O)NCc1cccc(NC(=O)c2ccco2)c1 32817404 CINVPOVOLNSWSJ-LJQANCHMSA-N 409.442 3.196 0 40 HGAB O=C1CN(C(=O)c2cc(-c3cccs3)n(-c3cc(Cl)cc(Cl)c3)n2)CCN1 32904250 BLSCHTXIJNIMSH-UHFFFAOYSA-N 421.309 3.480 0 40 HGAB COc1ccc(C)cc1S(=O)(=O)N1CCC(C(=O)Nc2ccccc2C)CC1 33732863 XYMUYCHAHJLUSN-UHFFFAOYSA-N 402.516 3.351 0 40 HGAB CCN(CC(=O)Nc1ccccc1SC)S(=O)(=O)c1cc(F)ccc1OC 39986371 HJNNNLYOEZOHGI-UHFFFAOYSA-N 412.508 3.206 0 40 HGAB Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)NC[C@@H](c1ccc(F)cc1)N(C)C 40157496 ULHQWPFYUULQNQ-FQEVSTJZSA-N 408.477 3.230 0 40 HGAB O=C(CCCC(=O)N1CCN(c2nsc3ccccc23)CC1)Nc1cccnc1 40285905 HFCGOQWRLHNHGZ-UHFFFAOYSA-N 409.515 3.149 0 40 HGAB C[C@H](Oc1ccc2c(c1)CCC2)C(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 43004809 DZGNHGRCZSLNQH-INIZCTEOSA-N 405.498 3.449 0 40 HGAB Cc1ncc(CN(C)[C@H](C)C(=O)Nc2ccccc2C(=O)NCc2ccco2)s1 48313391 DHCSLJKVFTZLHA-CQSZACIVSA-N 412.515 3.434 0 40 HGAB Cc1ccc(-c2cc3c(=O)n(CC(=O)Nc4cc(F)cc(F)c4)ncn3n2)c(C)c1 51316989 ARVGMPIARLNKEF-UHFFFAOYSA-N 409.396 3.092 0 40 HGAB O=C(C1CCN(C(=O)[C@H]2CC(c3ccc(Cl)s3)=NO2)CC1)N1CCCCC1 55008060 HZPQACOHZDTGTQ-OAHLLOKOSA-N 409.939 3.146 0 40 HGAB CCN(C(=O)Cn1c(=O)n(-c2ccccc2F)c(=O)c2sccc21)c1ccccc1 57490354 RHYWCKUYWBJBMM-UHFFFAOYSA-N 423.469 3.406 0 40 HGAB COC(=O)[C@H](NC(=O)Cc1ccc(OC)cc1OC)c1ccc(Br)cc1 58063218 AIHPRTBHHHWOIP-GOSISDBHSA-N 422.275 3.039 0 40 HGAB NC(=O)N[C@@H](CC(=O)NCc1ccc(CN2CCCCC2)cc1)c1cccs1 58064287 IWKROARRAKQZHJ-SFHVURJKSA-N 400.548 3.150 0 40 HGAB COc1ccc([C@@H]2CCCCCN2Cc2nc3ccccc3c(=O)n2CC(N)=O)cc1 58175435 CHRLHRWTHGZMKV-NRFANRHFSA-N 420.513 3.008 0 40 HGAB Cn1nc(C(=O)N2CCC[C@H](c3cccc(Cc4ccc(Cl)cc4)n3)C2)ccc1=O 72350072 UJSHGNZUHHKFEA-KRWDZBQOSA-N 422.916 3.439 0 40 HGAB Cc1cc(Cc2ccccc2F)cc([C@H]2CCCN(C(=O)c3ccc(=O)n(C)n3)C2)n1 72354129 RASLRPHZLCRKOT-IBGZPJMESA-N 420.488 3.233 0 40 HGAB COC(=O)[C@@H]1c2ccccc2CCN1C(=O)c1nc(C)n(-c2ccccc2Cl)n1 95404781 GRFYWANPGLWYNG-SFHVURJKSA-N 410.861 3.142 0 40 HGAB C[C@H](NC(=O)CCC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1)c1ccccc1 95437104 AXNGLARXUNFVNF-ZDUSSCGKSA-N 410.442 3.279 0 40 HGAB COc1ccc2c(C)c(CCC(=O)N3C[C@H](C)NC(=O)c4ccccc43)c(=O)oc2c1 95458314 IUCUOBUKGJFXOF-AWEZNQCLSA-N 420.465 3.208 0 40 HGAB O=C(O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccc2c(c1)[nH]c(=O)n2C1CCCC1 95969922 MVBPDKUCNKECAJ-FQEVSTJZSA-N 405.454 3.096 0 40 HGAB CCN(CC)C(=O)C[C@@H]1CC2(CCN(C(=O)c3cnccn3)CC2)Oc2ccccc21 96053486 FAHFSOVXQITATJ-GOSISDBHSA-N 422.529 3.276 0 40 HGAB Cc1cccc(C)c1NCC(=O)Nc1cccc(S(=O)(=O)NCc2ccco2)c1 96970206 LLLUZLYFSWJXIF-UHFFFAOYSA-N 413.499 3.426 0 40 HGAB O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)C12CC3C[C@@H](CC[C@H](C3)C1)C2 101024421 HGFPVKWYWMJRGW-QGUMVPPKSA-N 418.559 3.253 0 40 HGAB CCCCCOc1ccc(S(=O)(=O)NCCC[n+]2cc[nH]c2)c2ccccc12 101370813 NDBKREIACBPAFM-UHFFFAOYSA-O 402.540 3.393 0 40 HGAB CCOc1ccc(N([C@@H](CC)C(=O)NCc2ccc(C)cc2)S(C)(=O)=O)cc1 220667430 IMZFKIGHQULRAZ-FQEVSTJZSA-N 404.532 3.255 0 40 HGAB C[C@H](NC(=O)CN(Cc1ccccc1)S(C)(=O)=O)c1ccc2c(c1)CCCC2 223003403 UPSJGCFSLDJIHV-KRWDZBQOSA-N 400.544 3.204 0 40 HGAB COC(=O)CSc1nnc(NC(=O)[C@H](C)Oc2ccc3ccccc3c2)s1 223091913 MKGLUUWIOYAXEV-NSHDSACASA-N 403.485 3.362 0 40 HGAB CCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CCc1ccc2c(c1)OCCO2 223589374 QTFDFMSFYHWVTR-GOSISDBHSA-N 410.514 3.252 0 40 HGAB COC(=O)c1cc(S(=O)(=O)Nc2ccccc2C(=O)NC(C)(C)C)ccc1C 223823657 JKROFMYPTSMTJY-UHFFFAOYSA-N 404.488 3.111 0 40 HGAB Cc1ccc(OC[C@@H](C)NC(=O)c2ccc(N3CCCCS3(=O)=O)cc2)cc1C 224386316 KZJIFCBDSOJRSX-GOSISDBHSA-N 416.543 3.431 0 40 HGAB O=C(COc1cccc2c1CCCC2)N1CCN(Cc2ccc3c(c2)OCO3)CC1 224602500 FVCHBBNAEVWMNE-UHFFFAOYSA-N 408.498 3.017 0 40 HGAB CSc1nnc(NC(=O)[C@@H](C)N(c2ccc(C)c(Cl)c2)S(C)(=O)=O)s1 225007624 BDJFBGKNTRZCDH-SECBINFHSA-N 420.969 3.015 0 40 HGAB COc1ccccc1[C@H](C)NC(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O 225161195 AQOGFAHWWOYVDQ-LBPRGKRZSA-N 414.886 3.131 0 40 HGAB CCn1c(=O)sc2cc(S(=O)(=O)N[C@H](C)COc3ccc(C)cc3)ccc21 225696811 FAHFHOWJQQJSMH-CQSZACIVSA-N 406.529 3.137 0 40 HGAB Cc1cc(N2CCN(c3ccccc3)CC2)nc(NC(=S)NCc2ccc(C)o2)n1 225916151 WJQLCWIUQLWVPB-UHFFFAOYSA-N 422.558 3.500 0 40 HGAB CNc1cc(C(=O)N2CCO[C@@H](c3cccc(-c4ccc(OC)cc4)n3)C2)ccn1 257203530 AQLWCYFDQVCHDD-OAQYLSRUSA-N 404.470 3.408 0 40 HGAB Cc1cncc(C(=O)N2CCC(COc3cccc(Cl)c3)(CC(N)=O)CC2)c1 257207893 BJUQYUXFFUXOGK-UHFFFAOYSA-N 401.894 3.220 0 40 HGAB COc1ccccc1CN(CC(=O)O)C(=O)Cn1c(C(F)(F)F)nc2ccccc21 257265963 MBAPNBLURWJBHX-UHFFFAOYSA-N 421.375 3.177 0 40 HGAB CCOc1ccc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(OC)c(Cl)c2)cc1 408558438 IZYHUQPPBZNEKY-GFCCVEGCSA-N 412.895 3.053 0 40 HGAB CC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C 408561077 GITMSANHLJDEPL-INIZCTEOSA-N 402.516 3.040 0 40 HGAB Cc1cc(S(=O)(=O)N2CCCCC2)ccc1OCC(=O)Nc1ccc(F)cc1F 408597323 YOUJYXVAMDAMDZ-UHFFFAOYSA-N 424.469 3.465 0 40 HGAB CC(=O)c1cccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)c1 408650852 ADFLPTVTUQQYKU-OAHLLOKOSA-N 414.845 3.077 0 40 HGAB Cc1cccc(OCc2nn(CC(=O)N3CCN(c4ccccc4)CC3)c(=S)o2)c1 409157818 WNSAJXUMWKIBBA-UHFFFAOYSA-N 424.526 3.442 0 40 HGAB Cc1nc2ccc(NC(=O)[C@H](c3ccc(Cl)cc3Cl)N3CCOCC3)cn2n1 507168480 CYWHISMCBPQVNR-SFHVURJKSA-N 420.300 3.357 0 40 HGAB CC(C)c1nc(C(=O)NCC2(N(C)C)Cc3ccccc3C2)nn1-c1cccc(F)c1 525544662 OAGQCFZIBUFNMK-UHFFFAOYSA-N 421.520 3.359 0 40 HGAB CC1(C)[C@@H]2C[C@@H]1CC=C2COC[C@H](O)CN[C@H](CO)c1ccc(Br)cc1 542911231 YKKDKPDLCCHKMH-MTFMMBMASA-N 424.379 3.442 0 40 HGAB COc1ccc(Br)cc1-c1noc(Cn2nnc(-c3ccccc3)n2)n1 545633683 QBWRBJWAAWXIJA-UHFFFAOYSA-N 413.235 3.210 0 40 HGAB C[C@]1(c2cccc(C(=O)N3C[C@H](c4ccccc4)[C@H]4CCC[C@H]43)c2)NC(=O)NC1=O 553296748 OZNQJQIIBQFNOP-DBYOASNMSA-N 403.482 3.150 0 40 HGAB O=S(=O)(c1ccc(Br)cc1)N1CC[C@@H](Oc2ccncc2Cl)C1 575605538 KSQSLHMLIBPMFC-GFCCVEGCSA-N 417.712 3.340 0 40 HGAB COCCOc1cc(CN2CCC(O)(COc3ccc(C)cc3)CC2)ccc1OC 585271179 SVGNBDXJEKLIDE-UHFFFAOYSA-N 415.530 3.435 0 40 HGAB C[C@@H](NC(=O)OCc1ccccc1)[C@@]1(C)C[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C1 1547139897 WZXMVQBPWPGLOD-ZJTDPSCFSA-N 406.479 3.402 0 40 HGAB O=S(=O)(NC[C@@H](O)c1ccc(-c2ccco2)o1)c1ccc(OC(F)(F)F)cc1 1775965381 BHDMICQTQISGAK-CYBMUJFWSA-N 417.361 3.450 0 40 HGAB Cc1ccc(OC[C@H]2CCN(S(=O)(=O)Cc3cccc(C(F)(F)F)c3)C2)nn1 1888890770 OZCKTIAQALIWKB-HNNXBMFYSA-N 415.437 3.035 0 40 HGAB CN1C[C@H]2C3(CCN(C(=O)CC4=CCCCC4)CC3)CC[C@@]2(C(=O)N2CCCC2)C1 2055796099 VLDSHIPPDGGCKO-SQJMNOBHSA-N 413.606 3.450 0 40 HGAB O=C(CCCN1CCC2(CC1)C(=O)NCN2c1ccc(F)cc1)c1ccc(F)cc1 537753 RIOZXKPJYKSKJV-UHFFFAOYSA-N 413.468 3.356 0 40 HGAB in-man Cc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)Nc2nccs2)cc1 949126 KORQQLPZJVYQLQ-GOSISDBHSA-N 413.524 3.206 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccccc3)C2)cc1Cl 1363980 NKMZQAKQMWPBJG-CQSZACIVSA-N 408.907 3.388 0 40 HGAB COc1cc(CCOC(=O)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC 1667680 TZPBACGQNPSFLK-UHFFFAOYSA-N 406.431 3.138 0 40 HGAB CCN(C(=O)COC(=O)CNC(=O)c1ccc(Cl)cc1Cl)c1ccccc1 2621886 OPLHYKSIRLUKRZ-UHFFFAOYSA-N 409.269 3.320 0 40 HGAB Cc1ccc(CNC(=O)CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)cc1 2657967 WVZSXESTEBGPHT-UHFFFAOYSA-N 413.477 3.107 0 40 HGAB CC(C)[C@@H](C(=O)OCC(=O)c1c[nH]c2ccccc12)N1C(=O)c2ccccc2C1=O 3355248 OYFFZLPRMPTRIR-FQEVSTJZSA-N 404.422 3.215 0 40 HGAB O=C(CSc1nc2ccccc2c(=O)n1CCCO)Nc1ccc(F)c(Cl)c1 3455119 BAWGVQXYQQPWGZ-UHFFFAOYSA-N 421.881 3.302 0 40 HGAB O=C(CSc1nc2cc(Cl)ccc2n1Cc1ccccc1)N1CCNC1=O 4221091 RXUADJHBRODCJR-UHFFFAOYSA-N 400.891 3.382 0 40 HGAB CC(C)(C)C(=O)Nc1nc2c(s1)C[C@H]1[C@@](C)(CC[C@@H](O)[C@@]1(C)CO)[C@@H]2CC(=O)O 4222369 SQVCLAPSXZMDAM-ZBMJNWKZSA-N 424.563 3.018 0 40 HGAB biogenic,in-vitro O=S(=O)(NCCc1csc2nc(-c3ccccc3)nn12)c1ccccc1F 4479867 KPNQAOKJHDYXAG-UHFFFAOYSA-N 402.476 3.118 0 40 HGAB O=C(O)C[C@H](CNC(=O)CCCCCN1C(=O)c2ccccc2C1=O)c1ccccc1 4577451 NAQMOTAHFFYIFD-GOSISDBHSA-N 422.481 3.218 0 40 HGAB COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)COC(=O)c2cnccn2)cc1 5470169 YBXYHYOMRGSTOC-OAQYLSRUSA-N 416.437 3.020 0 40 HGAB CCC[C@H](C)NC(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(C)(=O)=O 6324888 WOMZGRKNSQQZCL-JTQLQIEISA-N 400.850 3.430 0 40 HGAB C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(NC(=O)CN3CCCCCC3)cc2)C1 7339654 ZXMUBSCVNKOHLD-ROUUACIJSA-N 407.580 3.168 0 40 HGAB COc1cc(CNCCCSc2nnnn2C)ccc1OCc1ccc(F)cc1 7541460 UXKFDJVDYSHTNS-UHFFFAOYSA-N 417.510 3.209 0 40 HGAB O=C(CNC(=O)c1ccc(Oc2ccccc2)cc1)NCc1cn2ccccc2n1 7945938 IXUVBWNEQUCPPN-UHFFFAOYSA-N 400.438 3.173 0 40 HGAB O=C1Nc2ccccc2S[C@@H]1CC(=O)N1CCN(c2ccccc2Cl)CC1 8014788 KZLYLXZPFUDWIR-GOSISDBHSA-N 401.919 3.492 0 40 HGAB COc1ccc(C(=O)N2CCC[C@@H]3CCCC[C@H]32)cc1S(=O)(=O)N1CCCC1 8270214 ADCOSJWDCJCWLZ-FUHWJXTLSA-N 406.548 3.275 0 40 HGAB O=C(CCn1c(=O)oc2ccccc21)NCc1cc(Cl)c2c(c1)OCCCO2 8278660 LKVDDXLRUYBCQJ-UHFFFAOYSA-N 402.834 3.116 0 40 HGAB CC1=CC[C@H]2C(=O)N(c3ccc(C(=O)Nc4ccc(C(=O)O)cc4)cc3)C(=O)[C@H]2C1 8472201 IXWQIAASHPOAAH-MOPGFXCFSA-N 404.422 3.483 0 40 HGAB Cc1ccccc1N(CC(=O)Nc1ccc(Br)cc1F)S(C)(=O)=O 8571236 HJHHXYKRBULMAU-UHFFFAOYSA-N 415.284 3.301 0 40 HGAB Cc1cc(C)cc(-n2ccn(CC(=O)Nc3ccccc3C(F)(F)F)c(=O)c2=O)c1 8588297 SYACSDZRPXCURZ-UHFFFAOYSA-N 417.387 3.274 0 40 HGAB C[C@@H]1CCCCN1C(=O)COC(=O)CNC(=O)c1sc2ccccc2c1Cl 8629737 DEQWEODKAOPLPO-GFCCVEGCSA-N 408.907 3.229 0 40 HGAB COC(=O)c1ccc(NC(=O)Cc2c(C)c3cc(Cl)c(O)cc3oc2=O)cc1 9483103 KKTWBCVPCJYFSF-UHFFFAOYSA-N 401.802 3.428 0 40 HGAB COc1ccccc1N(C)S(=O)(=O)c1ccc(C)c(C(=O)N[C@@H](C)C2CC2)c1 9583942 UGRMOYQPVZOSBV-HNNXBMFYSA-N 402.516 3.357 0 40 HGAB COc1cc(NC(=O)[C@@H](NC(=O)c2ccccc2)C(C)C)ccc1N1CCCC1=O 11445824 QQYXDBASELZJFD-NRFANRHFSA-N 409.486 3.215 0 40 HGAB CCOc1ccc([C@@H]2[C@@H](C(=O)Nc3ccccc3)[C@@H](C)Nc3ncnn32)cc1OC 11694898 HJXMRPJZDVINSI-VOBQZIQPSA-N 407.474 3.344 0 40 HGAB C[C@H](C(=O)NC[C@@H]1CCCO1)N1C(=O)c2ccccc2[C@@H]1c1cn(C)c2ccccc12 12406199 IUYAZMROXCYJOB-SAHWJRBASA-N 417.509 3.407 0 40 HGAB CNC(=O)c1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2-n2cccn2)cc1 12630791 NFWMHFUPDUPOLK-UHFFFAOYSA-N 424.404 3.052 0 40 HGAB O[C@H](COc1ccccc1)CN1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 14202081 QBTSBPNCTALIGG-HNNXBMFYSA-N 415.843 3.316 0 40 HGAB CC(=O)Oc1ccc(/C=c2\sc3nc4ccccc4n3c2=O)cc1Br 15009066 RQDONZMGBYSYBN-SXGWCWSVSA-N 415.268 3.145 0 40 HGAB COc1ccc(NC(=O)CCn2c(S)nnc2-c2ccc(F)cc2)c(OC)c1 16635496 AMXIYTOYTOGGCY-UHFFFAOYSA-N 402.451 3.419 0 40 HGAB COc1ccccc1-c1noc(CN2CCN(C(=O)c3ccccc3Cl)CC2)n1 16694697 SVANZWUHYRBWFA-UHFFFAOYSA-N 412.877 3.357 0 40 HGAB CCOc1ccc(N2C(=O)c3ccc(C(=O)N4C[C@H](C)O[C@@H](C)C4)cc3C2=O)cc1 17324497 KTNXDGVEDPQVLJ-GJZGRUSLSA-N 408.454 3.135 0 40 HGAB O=C(N1CCC[C@H](C2=NS(=O)(=O)c3ccccc3N2)C1)C1(c2ccccc2)CC1 19369703 HXNMXUMGLKFROQ-INIZCTEOSA-N 409.511 3.170 0 40 HGAB COc1ccc(NC(=O)C[C@@H]2C(=O)N(C[C@@H]3CCCO3)c3nc4ccccc4n32)cc1 19817519 RDKDDEUEQQYNOC-FXAWDEMLSA-N 420.469 3.140 0 40 HGAB COc1ccc(CN(C)C(=O)c2ccc(NS(C)(=O)=O)c(Cl)c2)cc1OC 20107599 KFNSOEIDEASGDP-UHFFFAOYSA-N 412.895 3.001 0 40 HGAB COc1ccccc1[C@@H](c1nnnn1C(C)(C)C)N1CCN(c2ccccc2F)CC1 20139549 LDDXMTQUQDPBCM-NRFANRHFSA-N 424.524 3.487 0 40 HGAB C[C@H](O)CNCCNCc1cc(Br)ccc1OCc1ccc(F)cc1 22075542 UADPVLAYQKZEAF-AWEZNQCLSA-N 411.315 3.227 0 40 HGAB C[C@H]1C[C@H](C)CN(Cc2csc(NC(=O)c3ccc(N4CCOCC4)nc3)n2)C1 22296762 FBXXHBVNUYDIFB-HOTGVXAUSA-N 415.563 3.105 0 40 HGAB Cc1c(C(=O)O[C@@H](C(N)=O)c2ccc(F)cc2)cnn1-c1ccc(C(F)(F)F)cn1 22419348 CAUMEVHCBBNWSV-MRXNPFEDSA-N 422.338 3.117 0 40 HGAB COc1ccc(S(=O)(=O)NCc2ccc(OCC(F)(F)F)cc2)cc1OC 23440904 NVNIVSMBAKTSIP-UHFFFAOYSA-N 405.394 3.123 0 40 HGAB COc1ccc([C@H](NC(=O)CCc2nc(-c3cccs3)no2)c2nccn2C)cc1 24025925 DRZFMZJQVSJGIU-IBGZPJMESA-N 423.498 3.379 0 40 HGAB Cc1cccc(NC(=O)NCC(=O)Nc2ccc(C(=O)Nc3nccs3)cc2)c1 24919769 HZAKCKRNFGIXJL-UHFFFAOYSA-N 409.471 3.464 0 40 HGAB COc1ccc(OC)c(NC(=O)[C@@H](C)N2CCN(C/C=C/c3ccccc3)CC2)c1 25606565 IDYZZBVNLUNTBE-QPGLYAHGSA-N 409.530 3.362 0 40 HGAB CN(C)C(=O)COc1ccc(NC(=O)c2cccc(I)c2)cc1 25655944 UITUPMVUSXREED-UHFFFAOYSA-N 424.238 3.011 0 40 HGAB COc1ccc(OC)c(CN(C(=O)[C@H]2CN(C(C)=O)c3ccccc3O2)C2CC2)c1 25808112 QMAPOACXQBGBIP-JOCHJYFZSA-N 410.470 3.009 0 40 HGAB Cc1nnc(-n2nc(C)c(SCC(=O)Nc3ccc(Cl)cc3)c2C)nc1O 27756638 XUMIQIQGIGCDRF-UHFFFAOYSA-N 404.883 3.072 0 40 HGAB CN(C)S(=O)(=O)c1ccc(CNC(=O)CCCc2nc3ccccc3s2)s1 29775072 PXGRFDAGVRFFOU-UHFFFAOYSA-N 423.585 3.247 0 40 HGAB COC(=O)c1ccc(Cl)c(S(=O)(=O)NCC2(c3ccccc3)CCOCC2)c1 30426048 YRZIMHKXYAJZSX-UHFFFAOYSA-N 423.918 3.153 0 40 HGAB C[C@H]1C[C@@H](C)CN([C@H](C(=O)O)c2c[nH]c3ccc(NC(=O)CCC(=O)O)cc23)C1 31821022 PWFLZHDOOXMJNR-RDXCRGQUSA-N 401.463 3.075 0 40 HGAB COc1ccc(NC(=O)[C@@H]2CC(=O)Nc3c(-c4ccc(F)cc4)cnn32)cc1OC 32072378 XPBVGWMJKZXYPJ-INIZCTEOSA-N 410.405 3.228 0 40 HGAB COC(=O)c1cnc(NC(=O)c2cnn(-c3ccccc3F)c2-n2cccc2)s1 32424076 XLPYAKYRNBZQKS-UHFFFAOYSA-N 411.418 3.298 0 40 HGAB CNS(=O)(=O)Cc1ccc(CNC(=O)c2ccc(-c3ccccc3)nc2C)cc1 32848192 ATOMUUIYUQQOAO-UHFFFAOYSA-N 409.511 3.036 0 40 HGAB C[C@@H]1C[C@@H](OC(=O)c2ccccc2NS(=O)(=O)c2ccc(Cl)cc2)C(=O)O1 32895916 CCMSOLIOPFVCLX-BDJLRTHQSA-N 409.847 3.002 0 40 HGAB Cc1cccc(N2CCN(CCCCNS(=O)(=O)c3cc(F)ccc3F)CC2)c1 32923812 UCOXOWZGXMSXPB-UHFFFAOYSA-N 423.529 3.154 0 40 HGAB Cc1ccc(S(=O)(=O)NCCC(=O)Nc2ccc(N3CCCCC3)cc2)cc1 32999898 DZOIEOPCUHBSMO-UHFFFAOYSA-N 401.532 3.292 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)[C@@H](C)Oc2cccc(C)c2C)c1 33227249 YQLMIRAQUPNGIF-MRXNPFEDSA-N 420.531 3.446 0 40 HGAB COc1cc(C(=O)NC(=S)N2CCCC[C@@H]2c2cccnc2)cc(OC)c1OC 36612566 OKYWIHJSIYMNOS-MRXNPFEDSA-N 415.515 3.349 0 40 HGAB Cc1nnnn1-c1cccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)c1 40090901 WXZXRDAUTNBJBS-UHFFFAOYSA-N 422.452 3.471 0 40 HGAB C[C@@]1(c2cccc(NC(=O)c3ccc(COc4ccccc4)o3)c2)NC(=O)NC1=O 40110828 RIWCVPIDUNTMIU-QFIPXVFZSA-N 405.410 3.166 0 40 HGAB CC(C)c1ccc(CCC(=O)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)cc1 40141606 HCSNPDRDUPCKIB-UHFFFAOYSA-N 424.570 3.156 0 40 HGAB C[C@@H](Cc1c(F)cccc1F)NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 40155932 YUUMAEKOAIBAAD-AWEZNQCLSA-N 408.470 3.110 0 40 HGAB Cc1ccc([C@H](C)NC(=O)CCCN(c2ccc3c(c2)OCO3)S(C)(=O)=O)cc1 44846594 LRZFLUXIAIMIOA-INIZCTEOSA-N 418.515 3.147 0 40 HGAB COc1ccc(NC(=O)CSCc2nc3sc(C)cc3c(=O)[nH]2)c(OC)c1 44920185 MJVMIHPOVIEGCJ-UHFFFAOYSA-N 405.501 3.182 0 40 HGAB O=C(NCc1nncn1-c1ccccc1)c1cnc(OCC(F)(F)F)c(Cl)c1 48115963 BAULJJOORKXLIZ-UHFFFAOYSA-N 411.771 3.187 0 40 HGAB O=C(COC(=O)c1cccc(N2C(=O)CCC2=O)c1)Nc1cccc(Cl)c1Cl 57528659 AXCBGKUVGUSDQQ-UHFFFAOYSA-N 421.236 3.442 0 40 HGAB CC[C@H](c1nnnn1Cc1ccc(OC)cc1)N1CCN(c2ccccc2OC)CC1 57670952 DDVDPPSOEXYEIM-HXUWFJFHSA-N 422.533 3.012 0 40 HGAB COC(=O)c1cc(C)nc2nc(SCc3nc(Cc4ccccc4)no3)nc(O)c12 58008983 MOBCQFBERHMIFO-UHFFFAOYSA-N 423.454 3.092 0 40 HGAB COC(=O)c1cc(S(=O)(=O)Oc2ccc(C)cc2OC)ccc1Br 58047996 OGOXHOZYWBGIDI-UHFFFAOYSA-N 415.261 3.320 0 40 HGAB O=C(CN1CCN(c2ccccc2O)CC1)N[C@H](c1ccccc1)c1cccs1 58173702 VIIBPYQWCCMVHJ-HSZRJFAPSA-N 407.539 3.482 0 40 HGAB COc1ccc(N(C(=O)CN(C)S(=O)(=O)c2cccs2)[C@H](C)C2CC2)cc1 58441527 TZYNNDZQIVQJKP-CQSZACIVSA-N 408.545 3.209 0 40 HGAB COc1ccc(NC(=O)c2nnn(CC(=O)Nc3cccc(Cl)c3C)c2C)cc1 71327006 NQRWLYBQPVKNDJ-UHFFFAOYSA-N 413.865 3.448 0 40 HGAB NC(=O)c1ccc(-c2cnc(N)nc2[C@H]2CCCCN2C(=O)Cc2ccccc2)cc1 72376897 JHIWLEWVAQDIIJ-HXUWFJFHSA-N 415.497 3.121 0 40 HGAB COc1cc(CN2CCC(c3cc(O)nc(-c4cccnc4)n3)CC2)cc2c1OCO2 72392795 DLNBGKGUJNPHRO-UHFFFAOYSA-N 420.469 3.361 0 40 HGAB COC(=O)c1ccc(S(=O)(=O)Nc2c(F)cc(C(C)=O)c(F)c2F)c(C)c1 95944141 BRYRUMUIAPISID-UHFFFAOYSA-N 401.362 3.202 0 40 HGAB O=C(NCc1nc2ccccc2[nH]1)c1ccc(N2CCCCS2(=O)=O)cc1Cl 96116629 HTBUHHVEBSEXSG-UHFFFAOYSA-N 418.906 3.076 0 40 HGAB COC(=O)C[C@@H](c1ccc(OC)cc1)c1c(O)nc2ccc(C(F)(F)F)cn2c1=O 96117651 ZTTVOSQRPTTZFB-AWEZNQCLSA-N 422.359 3.123 0 40 HGAB CC1(C)C[C@](C)(c2ccccc2)c2cccc3c2N1C(=O)/C3=C1\NC(=S)NC1=O 100123302 MHYPNAIPCVKVBJ-AXESWEIFSA-N 403.507 3.237 0 40 HGAB COc1cccc(-c2cc(C(F)(F)F)nc(S[C@H]3CC(=O)[C@@H]4OC[C@@H]3O4)n2)c1 101066407 BOIQZGSNLVRFNN-OFQRWUPVSA-N 412.389 3.346 0 40 HGAB O=C(Cn1cnc2cc3c(cc21)OCCCO3)NCCOc1ccc(Cl)cc1 101152526 CTBMVKDUAVEMRA-UHFFFAOYSA-N 401.850 3.046 0 40 HGAB Cc1ccc(C)c(N(CC(=O)NCc2ccc(OC(C)C)cc2)S(C)(=O)=O)c1 113934649 ZYPZIDSFJBUQMF-UHFFFAOYSA-N 404.532 3.173 0 40 HGAB CCOc1ccccc1CNC(=O)[C@H](C)N(c1ccc(CC)cc1)S(C)(=O)=O 220287308 XBXBNECWLWDOLS-INIZCTEOSA-N 404.532 3.119 0 40 HGAB COc1ccc(CN(C(=O)Cc2ccccc2)[C@H](C)C(=O)NCc2ccccn2)cc1 222990069 AATODDGXJXZYGI-LJQANCHMSA-N 417.509 3.366 0 40 HGAB CN(C)CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccncc1 223215537 DQHAHPRVTWLOBC-LEWJYISDSA-N 406.559 3.192 0 40 HGAB Cc1ccc(OC[C@H](C)NC(=S)Nc2cccc(N(C)S(C)(=O)=O)c2)cc1 225641476 XPUDDLZQRZGKSW-HNNXBMFYSA-N 407.561 3.145 0 40 HGAB CCCNC(=S)Nc1nc(Sc2ncccn2)cc(N2CCCCCC2)n1 225886516 VXBWNCZADXKEKD-UHFFFAOYSA-N 403.581 3.495 0 40 HGAB COc1ccc(N2C[C@@H]3C[C@@]3(C(=O)Nc3ccc(OC(C)C)cc3)S2(=O)=O)cc1 225938404 VADQABAWXNXXJL-YCRPNKLZSA-N 416.499 3.030 0 40 HGAB O=C(N1CCOC[C@@H](Cc2ccc3nccn3n2)C1)C1(c2ccccc2F)CCCC1 257244928 INJIXEWGNUQTHP-SFHVURJKSA-N 422.504 3.398 0 40 HGAB CNC(=O)c1sc2nccnc2c1[C@@H]1CCN(C(=O)c2cnc3ccccc3c2)C1 257280114 OJMKJEIKGNVBRJ-CQSZACIVSA-N 417.494 3.229 0 40 HGAB O=C([C@@H]1C[C@H]2C=C[C@H]1C21CC1)N1CCC([C@@H]2C[C@H](C(F)F)n3ncnc3N2)CC1 257366805 OYGXDVOVDGCLMX-OVYGPGRDSA-N 403.477 3.109 0 40 HGAB Cc1ccc(-c2ccc3c([C@H]4CN(C(=O)c5ccco5)CCN4C)nnn3c2)cc1 306129325 IAQJNVCILKMWAI-HXUWFJFHSA-N 401.470 3.427 0 40 HGAB O=C(CN1C(=O)N/C(=C/c2cc(Cl)cc(Cl)c2O)C1=O)Nc1ccccc1F 409202331 PUCGXPYVIVRVTR-MKMNVTDBSA-N 424.215 3.370 0 40 HGAB O=C(C[C@@H](c1ccsc1)n1cccc1)Nc1ccc(N2CCN(CCO)CC2)cc1 524735463 DFACRVVIZSABDD-QFIPXVFZSA-N 424.570 3.282 0 40 HGAB O=C(CN1CCC(O)(COc2cccc(Cl)c2)CC1)NCc1cccc(F)c1 585274615 XSAZOEAHDZHKHO-UHFFFAOYSA-N 406.885 3.001 0 40 HGAB Cc1sc(NC(=O)CN(Cc2ccc(F)cc2)C(=O)C(C)C)c(C(N)=O)c1C 1368375 NNBNNRPIOKVYGU-UHFFFAOYSA-N 405.495 3.226 0 40 HGAB CCc1ccccc1NC(=O)COC(=O)[C@H](CC(C)C)N1C(=O)c2ccccc2C1=O 1916977 INHLGVBLSVQRNJ-FQEVSTJZSA-N 422.481 3.442 0 40 HGAB CCOC(=O)c1ccc(-n2cc3c(c2-c2cccc(C)c2)c(=O)n(C)c(=O)n3C)cc1 2423853 UGQSIILWORUIEX-UHFFFAOYSA-N 417.465 3.180 0 40 HGAB C[C@@H](OC(=O)CNC(=O)c1sc2ccccc2c1Cl)C(=O)NC1CCCC1 2620345 BTQSHWJOQAHAHE-LLVKDONJSA-N 408.907 3.275 0 40 HGAB CCC(C)(C)n1nnnc1[C@@H](c1cc2cc(OC)ccc2[nH]c1=O)N1CCC[C@H](C)C1 4161862 GEZQCTLFWVYDGB-MGPUTAFESA-N 424.549 3.490 0 40 HGAB CC(=O)[C@H]1[C@@H](c2ccc(OCc3ccccc3)cc2)NC(=O)N[C@]1(O)C(F)(F)F 4162727 CVDMCJKLBADQIE-YQVWRLOYSA-N 408.376 3.076 0 40 HGAB C[C@H]1C[C@H](C)CN(C(=O)Cn2c(SCC(=O)N3CCCC3)nc3ccccc32)C1 4859308 VMZILFKEIMVHQG-IRXDYDNUSA-N 414.575 3.255 0 40 HGAB C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)N3c4ccccc4C[C@H]3C)cc2)C[C@@H](C)O1 5603291 YIFZLVJVNUFRDQ-BRWVUGGUSA-N 414.527 3.076 0 40 HGAB O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccccc1)N1CCCCCC1 6282851 RQNJSETYZHSOSK-UHFFFAOYSA-N 404.507 3.419 0 40 HGAB COc1ccc(CCNC(=O)CSc2ccc(-c3ccccn3)nn2)cc1OC 6859356 CBCDWFNIZOPDCQ-UHFFFAOYSA-N 410.499 3.007 0 40 HGAB CC(=O)Nc1ccc(SCC(=O)c2cc(C)n([C@@H]3CCS(=O)(=O)C3)c2C)cc1 6919762 BNEUOADICQGJIT-QGZVFWFLSA-N 420.556 3.398 0 40 HGAB Cc1noc(C)c1CSCC(=O)OCC(=O)NCC12CC3CC(CC(C3)C1)C2 7007654 FMTLXALMNMHPKG-UHFFFAOYSA-N 406.548 3.400 0 40 HGAB C[C@H]1Cc2ccccc2N1C(=O)COC(=O)C(O)(c1ccccc1)c1ccccc1 7654776 FPSNVSOERATVCA-SFHVURJKSA-N 401.462 3.444 0 40 HGAB Cc1ccc(N2C[C@H](C(=O)Oc3ccc(N4C(=O)CCC4=O)c(C)c3)CC2=O)c(C)c1 7928589 XUPPZONXZHAATC-QGZVFWFLSA-N 420.465 3.224 0 40 HGAB C[C@@H]1CCCC[C@@H]1NC(=O)COC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1 8222018 SYPHOMRSOHBVLO-QRWLVFNGSA-N 420.465 3.339 0 40 HGAB CC(C)NC(=O)N[C@H]1CCN2C(=O)c3cc(-c4ccccc4F)ccc3NC(=O)[C@@H]2C1 8300073 YTPRCHUBPATRNP-YWZLYKJASA-N 424.476 3.126 0 40 HGAB biogenic,in-vitro Cc1ccc(OCCC(=O)OCc2cc(=O)n3cc(Br)ccc3n2)cc1 8883304 JTEQNPBKRKDXOH-UHFFFAOYSA-N 417.259 3.278 0 40 HGAB Cc1cc(C(=O)CN2C(=O)N[C@](C)(c3ccco3)C2=O)c(C)n1Cc1cccs1 9218821 RBBVYUUYXULXEO-OAQYLSRUSA-N 411.483 3.458 0 40 HGAB Cc1cc(-c2cnc(C)nc2[C@@H]2CCCN(CC(=O)NCc3cccs3)C2)on1 12118475 FSTOFOSZYIPBKF-MRXNPFEDSA-N 411.531 3.306 0 40 HGAB Cc1nnsc1C(=O)N1CCC[C@H]1c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](C)N2 12181421 SFUSBTVAPYHAJT-JFUSQASVSA-N 400.430 3.328 0 40 HGAB CC(C)c1nn(CC(=O)N(C(C)C)C(C)C)c(=O)c2c1cnn2-c1ccc(F)cc1 12229032 SRQHGEDETYVWMH-UHFFFAOYSA-N 413.497 3.490 0 40 HGAB CC1CCN(c2ccc(NC(=O)c3ccc(CCNS(C)(=O)=O)s3)cc2)CC1 12550029 DHKWQBQPPKDNGX-UHFFFAOYSA-N 421.588 3.328 0 40 HGAB CN(C)C(=O)[C@@H](Sc1nnc(N2CCOCC2)n1-c1ccccc1)c1ccccc1 12553313 CGJISZSVBRHCKI-IBGZPJMESA-N 423.542 3.026 0 40 HGAB CN1C(=O)N[C@@H](c2ccc(F)cc2)[C@H](C(=O)c2cccs2)[C@@]1(O)C(F)(F)F 12560861 LWGIRDKQTGACFI-DVOMOZLQSA-N 402.369 3.333 0 40 HGAB Cc1ccnc2nc(C(=O)Nc3ccccc3C(=O)N[C@H](C)c3ccccc3)nn12 12789809 RRJGQAXKXGKEIO-OAHLLOKOSA-N 400.442 3.176 0 40 HGAB CNC(=O)c1nn(CN(C)C(c2ccccc2)c2ccccc2)c(=O)c2ccccc12 12868800 MLACUEBWAJOUHF-UHFFFAOYSA-N 412.493 3.435 0 40 HGAB O=C(CCN1CCN(c2ccccn2)CC1)Nc1ccc(Br)cc1F 12900881 MRJRNBIEXOVOGU-UHFFFAOYSA-N 407.287 3.134 0 40 HGAB CC[C@@H](NC(=O)CCc1c(C)c2cc3c(cc2oc1=O)OC(C)(C)CC3)C(=O)O 12901410 OEKUPHHOEWMBRL-MRXNPFEDSA-N 401.459 3.117 0 40 HGAB biogenic CCS(=O)(=O)N1CCC(NC(=O)NCCc2c(C)cc(C(C)(C)C)cc2C)CC1 12984120 UTQAGSDSWURAAK-UHFFFAOYSA-N 423.623 3.257 0 40 HGAB Cc1nn(-c2ccc(N3CCN(C(=O)Cc4ccc(Cl)cc4)CC3)nn2)c(C)c1C 13009036 SAEDHOMHRCNBEW-UHFFFAOYSA-N 424.936 3.132 0 40 HGAB COC(=O)c1cc(Br)ccc1S(=O)(=O)N(C)Cc1ccc(F)cc1 13135349 KEICTWVOYINIQV-UHFFFAOYSA-N 416.268 3.196 0 40 HGAB COc1ccc(F)cc1S(=O)(=O)N1CCC[C@@H](C(=O)NCCC2=CCCCC2)C1 13580540 AXYYXCNYCZGQSZ-QGZVFWFLSA-N 424.538 3.242 0 40 HGAB CCOc1ccccc1/N=c1\scc(-c2ccc(O)c(C(N)=O)c2)n1CCOC 14082979 NJCWNQDBEMOBES-LNVKXUELSA-N 413.499 3.299 0 40 HGAB Cc1cc(S(=O)(=O)N2CCC[C@H]2c2nnc3ccccn23)ccc1Br 14188811 ZTRYBEOUYPISFT-HNNXBMFYSA-N 421.320 3.326 0 40 HGAB O=C(NCc1ccc2c(c1)OCO2)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 14406789 VFYQSZGJVLFGEB-UHFFFAOYSA-N 400.740 3.342 0 40 HGAB COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C(=O)NC[C@H]2CCCO2)c1 15933604 BTXDTEWGZXTPOU-GOSISDBHSA-N 407.470 3.465 0 40 HGAB NS(=O)(=O)c1ccc(CCNCc2ccccc2OCc2ccccc2F)cc1 16449702 OFIJDLULCUXSPY-UHFFFAOYSA-N 414.502 3.384 0 40 HGAB COc1ccc(CCNC(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)cc1 17154508 XNVYFRYMPYXDDI-UHFFFAOYSA-N 404.422 3.057 0 40 HGAB CCOC(=O)c1cccc(NC(=O)Cn2cnc3c(sc4ccccc43)c2=O)c1 17306674 FMDQPEISZOPHBZ-UHFFFAOYSA-N 407.451 3.427 0 40 HGAB Cc1cc(-c2cnc(N3CCOCC3)nc2[C@H]2CCCN(Cc3ccccn3)C2)on1 19122230 YZQSCSJPLDNZMX-SFHVURJKSA-N 420.517 3.051 0 40 HGAB Cc1cnc(-c2nnc([C@@H]3CCN(C(=O)COc4ccc(F)c(Cl)c4)C3)o2)cn1 19239159 AQSIFCSUNSZYKZ-GFCCVEGCSA-N 417.828 3.022 0 40 HGAB CCc1noc(C)c1C(=O)N1CCC[C@H]1c1nc(N(C)C)ncc1-c1ccncc1 19521227 GYPWGYKXEAKMRU-SFHVURJKSA-N 406.490 3.441 0 40 HGAB COc1cccc(CN2CCC[C@@H]([C@@H]3C[C@H](C(F)F)n4ncnc4N3)C2)c1OC 19567757 LRNLCNDCTQWXCD-VNQPRFMTSA-N 407.465 3.198 0 40 HGAB COCC(=O)N1CCC[C@@](Cc2ccc(-c3ccc(OC)cc3)cc2)(C(=O)N(C)C)C1 19579092 KMVRKUVVFDFCLE-VWLOTQADSA-N 424.541 3.248 0 40 HGAB O=c1c(CN2CCC(Oc3ccccc3F)CC2)c(N2CCCC2)nc2ccccn12 19659045 ZUAGIDYUJRRRHE-UHFFFAOYSA-N 422.504 3.477 0 40 HGAB O=C(Cn1nc(C(F)(F)F)c2c1CCCCC2)Nc1ccc2nc[nH]c(=O)c2c1 19661978 SYXZVPOVSZKDQA-UHFFFAOYSA-N 405.380 3.046 0 40 HGAB CN(C)c1ncc(-c2ccc(F)cc2)c([C@H]2CCCN(CC(=O)N3CCCC3)C2)n1 19687484 CITUYJCQHMNXLW-SFHVURJKSA-N 411.525 3.151 0 40 HGAB CN(C)c1ncc(-c2ccc(C(N)=O)cc2)c([C@@H]2CCCN(C(=O)C3CCCC3)C2)n1 19694033 GGUCVROIUOEWLO-LJQANCHMSA-N 421.545 3.205 0 40 HGAB CCCNC(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(Br)cc1 20889294 WNPAYZAQKIIJIS-UHFFFAOYSA-N 423.332 3.340 0 40 HGAB COc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2cc(C)ccc2C)c1 22229728 FQUQQAYNJJGQHM-IBGZPJMESA-N 402.516 3.412 0 40 HGAB C[C@H](Sc1nc(-c2ccccc2)n[nH]1)C(=O)N1CCN(Cc2ccccc2)CC1 22239250 QLIKHVZDCYSUDQ-KRWDZBQOSA-N 407.543 3.297 0 40 HGAB COc1ccc(N(CC(=O)N[C@@H]2CCCc3ccccc32)S(C)(=O)=O)cc1Cl 22338125 YTNJUOQSHAUVSR-GOSISDBHSA-N 422.934 3.308 0 40 HGAB CC[C@H](C(=O)NC1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1)c1ccccc1 22702196 OBDAHJHIDRLFBZ-NRFANRHFSA-N 416.543 3.158 0 40 HGAB O=C(CCNC(=O)NCc1ccccc1)NCc1ccccc1CN1CCCCC1 24745858 XLIOONODZDKJMW-UHFFFAOYSA-N 408.546 3.178 0 40 HGAB Cc1ccc(S(=O)(=O)NCCNC(=O)c2ccc(C(F)(F)F)cc2)cc1C 24747320 GALGKNCQDJBMHV-UHFFFAOYSA-N 400.422 3.031 0 40 HGAB COC(=O)c1cc(NC(=O)[C@@H](C)Sc2ccc(OC)cc2)cc(C(=O)OC)c1 25368050 PYLGKYBMTZTMSM-GFCCVEGCSA-N 403.456 3.388 0 40 HGAB COc1cccc([C@@H](CNC(=O)c2cc3c(C)nn(C)c3nc2C)N2CCCC2)c1 29749660 FHBSDXIQHLMYNU-OAQYLSRUSA-N 407.518 3.161 0 40 HGAB CCOC(=O)c1sc(NC(=O)CN(CC)C[C@@H]2COc3ccccc3O2)cc1C 31174642 QTXYBHSNNBVRBW-OAHLLOKOSA-N 418.515 3.334 0 40 HGAB COc1cc(CN(C(=O)c2ccc3c(c2)NC(=O)CO3)C2CC2)ccc1OC(F)F 32772488 PXYJXCIMGYQVDR-UHFFFAOYSA-N 418.396 3.432 0 40 HGAB O=C(CCn1cnc2sccc2c1=O)Nc1ccc(-n2cnc3ccccc32)nc1 32796687 HKUBAQNHDDCYDO-UHFFFAOYSA-N 416.466 3.221 0 40 HGAB CSCC[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N1C[C@H](C)O[C@@H](C)C1 32975469 WGAAIXPZHBSAAV-MKBNYLNASA-N 419.374 3.481 0 40 HGAB CC(C)c1cccc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc3c(c2)OCCCO3)c1 33028311 XRDSVNKOXJCWQF-OAHLLOKOSA-N 418.515 3.277 0 40 HGAB COc1ccc(CNC(=O)[C@H]2CC(=O)N(CCc3c[nH]c4ccc(F)cc34)C2)cc1 35558765 WFPCTNJJVZIQFC-KRWDZBQOSA-N 409.461 3.023 0 40 HGAB Cc1cc(S(=O)(=O)Nc2ccc(I)cc2)sc1C(=O)O 37225802 MTOLFWIEOUMUPL-UHFFFAOYSA-N 423.253 3.160 0 40 HGAB CC(C)[C@@H](NC(=O)c1cccc(NS(C)(=O)=O)c1)c1ccc2c(c1)OCCCO2 40049408 ROTUMHUWUIDBEP-HXUWFJFHSA-N 418.515 3.347 0 40 HGAB CC(C)(C)c1noc(CCC(=O)N2CCN(C(=O)c3cc4ccccc4o3)CC2)n1 40090346 WDEALMDDQCQBEU-UHFFFAOYSA-N 410.474 3.031 0 40 HGAB CCC[C@@H](C)NC(=O)[C@H]1CCCN(C(=O)CCc2nnc(-c3ccsc3)o2)C1 50733051 KCHHJVJPRFRIIA-CABCVRRESA-N 404.536 3.274 0 40 HGAB C[C@H]1CN(Cc2ccc(C(=O)NC[C@@H]3CCN(c4ccc(F)cc4)C3)cc2)CCO1 57276026 XENKPUXFDKZHFZ-ICSRJNTNSA-N 411.521 3.303 0 40 HGAB Cc1cccc(-n2c(=O)c3sccc3n(CC(=O)N3CCc4ccccc43)c2=O)c1 57490224 HJIYYPNHFZEUFP-UHFFFAOYSA-N 417.490 3.112 0 40 HGAB Cc1cc(C(=O)NC2CCN(C(=O)Nc3ccccc3OCC(C)C)CC2)on1 58367718 RGYBNSZKDFVFRJ-UHFFFAOYSA-N 400.479 3.444 0 40 HGAB COc1cccc(CNC(=O)Cn2ccc3ccn(Cc4ccccc4C)c3c2=O)c1 62007356 PPBXDYIBYCKLOU-UHFFFAOYSA-N 415.493 3.485 0 40 HGAB CCn1c(SCC(=O)NCc2ccc3c(c2)OCCCO3)nnc1-c1ccco1 64987069 MWUCNZBNOAQQPB-UHFFFAOYSA-N 414.487 3.128 0 40 HGAB CCOc1ccc(S(=O)(=O)Nc2ccc(NC(=O)C(C)C)cc2)cc1C(=O)O 69510427 XNUZKRAIHWDHPV-UHFFFAOYSA-N 406.460 3.179 0 40 HGAB CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)CCn1c(=O)[nH]c(=O)c2ccccc21 71844180 UVIBOPNCMBMZME-UYAOXDASSA-N 405.498 3.265 0 40 HGAB Cc1c(C(=O)OC[C@@H](C)NC(=O)OC(C)(C)C)nnn1-c1cccc2cccnc12 72310772 COBXUZBRKOMLQZ-CYBMUJFWSA-N 411.462 3.194 0 40 HGAB Cc1ccnc(-n2cccc2CN2CCc3c(nc(N4CCC[C@H](C)C4)[nH]c3=O)C2)c1 72335631 GNAZTAOUNDEVMZ-SFHVURJKSA-N 418.545 3.059 0 40 HGAB O=C(CCCC[C@H]1SC[C@H]2NC(=O)N[C@H]21)NC1(c2ccc(F)cc2)CCCC1 72346511 HQOVSXMDUKMUBF-ZHALLVOQSA-N 405.539 3.437 0 40 HGAB COc1ccccc1NC(=O)[C@H](C)NC(=O)N1CCN(c2cccc(Cl)c2)CC1 72404543 VLHHUMZVTIQEDW-HNNXBMFYSA-N 416.909 3.207 0 40 HGAB Cc1c(Cl)cccc1S(=O)(=O)N1CCC[C@@H]1CS(=O)(=O)c1ccccc1 96025552 OKADZEACLXGZCM-OAHLLOKOSA-N 413.948 3.275 0 40 HGAB CC(=O)N1CCC2(CC1)C[C@H](NC(=O)Cc1ccc(N(C)C)cc1)c1ccccc1O2 96156906 XNQXMUQSRCFPIO-QFIPXVFZSA-N 421.541 3.316 0 40 HGAB COc1cc2oc(=O)cc(C)c2cc1CCC(=O)NCCc1nc2ccccc2n1C 96222476 WCJHBYDHRWJJDN-UHFFFAOYSA-N 419.481 3.288 0 40 HGAB biogenic COc1ccc(Cl)cc1NC(=O)Cc1nnc(O)c2cc(-c3ccccc3)nn12 96397878 SJMJCMYTIKZXNR-UHFFFAOYSA-N 409.833 3.340 0 40 HGAB Cc1ccccc1-n1ccnc1SCC(=O)N1CCN(c2ccc(O)cc2)CC1 98073443 IJZOPCXNRNLVPY-UHFFFAOYSA-N 408.527 3.327 0 40 HGAB Cc1nccn1CCCC(=O)N1Cc2nc3cc(-c4ccc(F)cc4)nn3c(O)c2C1 100215662 QHVBBZAIEJXCTC-UHFFFAOYSA-N 420.448 3.069 0 40 HGAB COc1ccc(OC)c(NC(=O)[C@H]2CC[C@H](Cn3nnc4ccccc4c3=O)CC2)c1 102433513 DSRJDJKYJAONCZ-IYBDPMFKSA-N 422.485 3.254 0 40 HGAB Cc1nn(Cc2noc(C(=O)N[C@@H](C)[C@H]3C[C@H]4CC[C@H]3C4)n2)c(C)c1Br 102637823 VSNPFOQHCFICOJ-NZPIUUIZSA-N 422.327 3.248 0 40 HGAB COc1cccc(N2C(=O)[C@@H]3[C@@H](ON(c4ccccc4)[C@H]3c3ccc(O)cc3)C2=O)c1 102707551 BQIMYQISQAQYDN-FDFHNCONSA-N 416.433 3.452 0 40 HGAB Cc1c(CCC(=O)NC[C@H]2CC[C@@H](C(=O)O)CC2)c(=O)oc2c(C)c(O)ccc12 217441938 CCOOPZMQWBKIGQ-SHTZXODSSA-N 401.459 3.055 0 40 HGAB O=C(Nc1nnc(S(=O)(=O)Nc2ccccc2F)s1)c1ccccc1Cl 222583074 SZSYSDMUSFOHTP-UHFFFAOYSA-N 412.855 3.384 0 40 HGAB COCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(CCOC)c1C 223050108 SWOZOFZSXNPHOX-PMACEKPBSA-N 402.564 3.155 0 40 HGAB COc1ccccc1C(=O)NCCCOC(=O)c1snnc1-c1ccc(F)cc1 223844446 SVMDVJILTPOXDN-UHFFFAOYSA-N 415.446 3.330 0 40 HGAB COCCCNC(=O)c1ccc(C)c(N(C)S(=O)(=O)c2ccc(Cl)cc2)c1 224315002 PQUFSOAJBBNLGR-UHFFFAOYSA-N 410.923 3.240 0 40 HGAB CNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CCc1ccc2c(c1)OCCO2 225407793 QBXDNFDYBSRZCU-HNNXBMFYSA-N 416.905 3.207 0 40 HGAB CSc1ccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)cc1NC(C)=O 225507287 DZAUHMJEJKQQJU-UHFFFAOYSA-N 423.535 3.017 0 40 HGAB O=C([C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)N1CCc2ccccc21 225548000 OMXCEWICGSLMHZ-INIZCTEOSA-N 404.919 3.330 0 40 HGAB Cc1ccc(S(=O)(=O)N(C)c2ccc(CC(=O)NCCCOC(C)C)cc2)cc1 225985092 WQPJJDPOEOMRIV-UHFFFAOYSA-N 418.559 3.294 0 40 HGAB Cc1ncc(-c2cncc([C@H]3CCCN(C(=O)c4ccc5[nH]cnc5c4)C3)n2)n1C 257235124 GWOHBQLEFTYOCW-INIZCTEOSA-N 401.474 3.082 0 40 HGAB CC1CCN(C(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Cl)cc2)CC1 408592277 KYEJQCQUFOWBJT-FQEVSTJZSA-N 420.962 3.488 0 40 HGAB O=C(COc1ccc(S(=O)(=O)NC2CCCC2)cc1Cl)N1CCCCCC1 408593445 NQIZANWDZNDKPK-UHFFFAOYSA-N 414.955 3.342 0 40 HGAB CCOc1ccccc1N1C[C@@H](C(=O)OCC(=O)Nc2ccc(C)c(C)c2)CC1=O 408651894 BPHWMYIYDNGMES-KRWDZBQOSA-N 410.470 3.237 0 40 HGAB O=C(Nc1ccccc1C(=O)O)c1ccc(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1 408672680 OPBHSGDPMXPVIH-KODHJQJWSA-N 404.422 3.173 0 40 HGAB Cn1cc(C(=O)N2CC3(C[C@H](OCC4CCOCC4)CS3)C2)c2ccccc21 575406548 YWJCDDRUTFWDDB-KRWDZBQOSA-N 400.544 3.322 0 40 HGAB O=C(NC[C@@H](c1cccs1)n1cccn1)C(=O)Nc1ccccc1C(F)(F)F 575613512 IGUHEBHIOOWEHR-AWEZNQCLSA-N 408.405 3.308 0 40 HGAB CN1CCC(N2CCC3(CCCCc4ccccc4OCCN(C)C3=O)CC2)CC1 643565181 FIXLKJGSWRAEFS-UHFFFAOYSA-N 413.606 3.427 0 40 HGAB Cc1ccc(C(=O)N2CCC(F)(F)[C@]3(CCN(Cc4c(C)noc4C)C3)C2)cn1 2055806560 ILNAGWZENPQQOJ-FQEVSTJZSA-N 404.461 3.368 0 40 HGAB COCCOCC(=O)Oc1ccc2c(=O)c(-c3ccc(OC)c(OC)c3)coc2c1 2061000034 VQJPONUEZDPNRI-UHFFFAOYSA-N 414.410 3.046 0 40 HGAB COCCOCC(=O)Oc1c(I)cc(Cl)c2cccnc12 2061000063 BTPNWFHFHJHYQA-UHFFFAOYSA-N 421.618 3.061 0 40 HGAB COCCCN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@@H]2c2ccc(C)cc2)C1=O 2096833 SVVUXCNLPUASLJ-URXFXBBRSA-N 417.509 3.198 0 40 HGAB biogenic CCOc1ncccc1C(=O)OCC(=O)Nc1nc(-c2ccc(OC)cc2)cs1 2658584 FNSYEBXHKYVRJB-UHFFFAOYSA-N 413.455 3.408 0 40 HGAB O=C(COC(=O)c1c2c(nc3ccccc13)CCC2)Nc1ccc2c(c1)OCCO2 2660191 HRCIGOJHXOAEST-UHFFFAOYSA-N 404.422 3.290 0 40 HGAB CC(C)c1ccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)cc1 3024881 OVOJUMAIILGTAV-UHFFFAOYSA-N 406.479 3.222 0 40 HGAB CN(c1ccc(OCC(=O)Nc2nccs2)cc1)S(=O)(=O)c1cccs1 3242495 INAXMYKRYQFWRN-UHFFFAOYSA-N 409.514 3.047 0 40 HGAB O=C(Nc1ccccc1)N1CCC(C(=O)N2CCN(c3ccc(F)cc3)CC2)CC1 3411045 XPXJXKNRZIJYHO-UHFFFAOYSA-N 410.493 3.418 0 40 HGAB O=C(Cn1cnc2ccccc2c1=O)Nc1cccc(-c2nnc3n2CCCCC3)c1 3459525 RRTPLLBHZSFUMG-UHFFFAOYSA-N 414.469 3.020 0 40 HGAB Cc1cccc(N(CC(=O)NCc2ccco2)C(=O)CCC(=O)Nc2ccccn2)c1 4092745 KAEZCGXMSYBKLY-UHFFFAOYSA-N 420.469 3.051 0 40 HGAB O=S(=O)(Nc1cccnc1Cl)c1cccc(S(=O)(=O)c2ccccc2)c1 4439770 MLZRLFKZVOTNKR-UHFFFAOYSA-N 408.888 3.369 0 40 HGAB O=C(COc1coc(CN2CCc3ccccc3C2)cc1=O)N1CCc2ccccc21 4583851 RJGUTIBRZNNALB-UHFFFAOYSA-N 416.477 3.166 0 40 HGAB COc1cc([C@@H]2c3cc4c(cc3O[C@@]3(O)CCC[C@H]23)OCO4)cc(OC)c1OC 4592761 CWOWDHSRSSJSHJ-ZFGLAFRWSA-N 400.427 3.454 0 40 HGAB CCC(C)(C)NC(=O)[C@H](c1cccnc1)N(C(=O)c1csnn1)C1CCCC1 4858838 GVCYUNAHFMYKHV-KRWDZBQOSA-N 401.536 3.364 0 40 HGAB COc1cccc(C2=NO[C@@H](C(=O)Nc3cc(C)nn3-c3ccccc3)C2)c1OC 5030152 KHLPLJDBBNCASQ-LJQANCHMSA-N 406.442 3.330 0 40 HGAB aggregator CCOc1cccc(-c2nnc(SCC(=O)Nc3ccc(F)cc3F)n2N)c1 5045467 GKWCLXBRVJQOEF-UHFFFAOYSA-N 405.430 3.067 0 40 HGAB CCOc1cc(Br)ccc1S(=O)(=O)NC1CC(C)(C)NC(C)(C)C1 5235048 WQGKTSXEOSNTIQ-UHFFFAOYSA-N 419.385 3.435 0 40 HGAB CC(=O)c1cccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)c1 5298914 VPSAHSWZGLLVKJ-AWEZNQCLSA-N 412.920 3.396 0 40 HGAB O=C(CSc1nnc(Cc2cccs2)n1C1CCCCC1)N1CCNC1=O 6140627 NDCUEYCFUWMDCW-UHFFFAOYSA-N 405.549 3.080 0 40 HGAB CCCCNC(=O)CN1CC[C@]2(O)CCCC[C@@H]2[C@@H]1c1ccc(OC)c(OC)c1 6264304 ZGZBWUSZKAEWNH-YFXJRYMSSA-N 404.551 3.288 0 40 HGAB biogenic CC(C)[C@@H](NC(=O)Cc1cccc2ccccc12)C(=O)Nc1ccc(C(N)=O)cc1 6580600 ANMDFNUSPSJQRY-JOCHJYFZSA-N 403.482 3.261 0 40 HGAB COc1ccccc1C(=O)N/C(=C\c1ccc2c(c1)OCO2)C(=O)NCc1ccco1 6674651 AFSVDHOQLDSYMG-WQRHYEAKSA-N 420.421 3.104 0 40 HGAB COc1cccc(N2C[C@@H](C(=O)OCC(=O)Nc3cccc4ccccc34)CC2=O)c1 7940145 XUSPKSSRWPNBLI-KRWDZBQOSA-N 418.449 3.383 0 40 HGAB CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCc3ccncc3)cc2)cc1 7988578 MLABFNIGFSPQEH-UHFFFAOYSA-N 411.483 3.211 0 40 HGAB COC(=O)c1ccc(/C=C2/NC(=O)N(Cc3ccc(Br)cc3)C2=O)cc1 8722419 YQILZTFYLFUYBO-MHWRWJLKSA-N 415.243 3.329 0 40 HGAB C[C@@H](NC(=O)CN1C(=O)N[C@](C)(c2ccc(F)cc2)C1=O)c1cc2ccccc2o1 8981404 BNIMKMMENMFBPL-MCMMXHMISA-N 409.417 3.216 0 40 HGAB CCOC(=O)N1CCN(c2nc(Nc3cc(C)ccc3C)c3nccnc3n2)CC1 9074927 VLZLSOSDBNKMDE-UHFFFAOYSA-N 407.478 3.059 0 40 HGAB C[C@@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)C(=O)Nc1ccc(F)cc1 9377668 GOJQNDYDOLDGPD-GFCCVEGCSA-N 409.446 3.367 0 40 HGAB COc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(OC)c(C)c3)C2)cc1 9974542 IXFGYHGDVDCLSO-INIZCTEOSA-N 418.515 3.052 0 40 HGAB COc1ccccc1OCC(=O)Nc1nc(-c2ccc(CNC(C)=O)o2)cs1 12052211 OMXXDSAWEPGQKH-UHFFFAOYSA-N 401.444 3.065 0 40 HGAB Cc1cc([C@H]2CCCCCN2S(=O)(=O)c2ccc(N3CCCC3=O)cc2)on1 12159373 PKMUJJFYYZGTKQ-GOSISDBHSA-N 403.504 3.416 0 40 HGAB Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)c1ccc2[nH]cnc2c1 12525470 VHMJWSFXXHDROG-UHFFFAOYSA-N 401.264 3.345 0 40 HGAB CN1C(=O)Cc2cc(S(=O)(=O)Nc3ccc(-c4cn5ccsc5n4)cc3)ccc21 12647337 ZEUBRAPLEYKWAR-UHFFFAOYSA-N 424.507 3.383 0 40 HGAB O=C(NCc1ccccc1F)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 12733603 LPZHYXHIBDNUIM-CYBMUJFWSA-N 402.900 3.010 0 40 HGAB Cc1ccc(N2C(=O)C(=O)N(CC(=O)N3CC[C@@H](C)Sc4ccccc43)C2=O)cc1 12787003 JBXOINLESCGGRO-OAHLLOKOSA-N 423.494 3.208 0 40 HGAB COc1cc(OC)c(NC(=O)CNC(=O)c2ccc(Br)o2)cc1Cl 13005416 MAQRWUPEECNGAL-UHFFFAOYSA-N 417.643 3.081 0 40 HGAB CCS(=O)(=O)N1CCCc2cc(C(=O)Nc3ccc(OC)cc3OC)ccc21 13610428 RZDOSJYUTRDHNI-UHFFFAOYSA-N 404.488 3.058 0 40 HGAB C[C@@H]1C[C@@H](C)CN(CCCNS(=O)(=O)Cc2ccc(Br)cc2)C1 13670838 NXAMPIZTOZBHMO-HUUCEWRRSA-N 403.386 3.237 0 40 HGAB O=C(c1cc(S(=O)(=O)NCc2ccco2)c(Cl)cc1Cl)N1CCCC1 14189962 YRBAYUAVYKLIGP-UHFFFAOYSA-N 403.287 3.301 0 40 HGAB O=C(Nc1ncc(Cc2c(Cl)cccc2Cl)s1)[C@H]1CCS(=O)(=O)C1 14197246 BXBYJXARNGYIQB-VIFPVBQESA-N 405.328 3.414 0 40 HGAB C[C@@]12CCC(=O)N1[C@@H](C(=O)Nc1nnc(SCc3ccc(F)cc3)s1)CS2 15940775 HLVGEXCXFRWNFC-SJKOYZFVSA-N 424.548 3.362 0 40 HGAB CCc1cccc(C)c1NC(=O)CN(C)S(=O)(=O)c1cc(Cl)ccc1OC 16162260 YEFLMQICAMVKPN-UHFFFAOYSA-N 410.923 3.479 0 40 HGAB CC(=O)c1cccc(NC(=O)CSc2nc(O)c3cnn(-c4ccccc4)c3n2)c1 16699402 VPDALSPOJSVQOU-UHFFFAOYSA-N 419.466 3.455 0 40 HGAB C[C@@H](NC(=O)CSc1nc2ccccc2c(=O)n1Cc1cccnc1)c1ccco1 19185046 OYRFTSOMHOZEFA-OAHLLOKOSA-N 420.494 3.402 0 40 HGAB Cn1ccnc1-c1nc(NCCCN2CCOCC2)ncc1-c1ccc(Cl)cc1 19291658 UECHYEYQORCANQ-UHFFFAOYSA-N 412.925 3.332 0 40 HGAB COc1ccc(CNC(=O)c2cc([C@@H]3CCCN(Cc4ccncc4)C3)no2)cc1 19555863 FHKBBSTYQSTPEC-LJQANCHMSA-N 406.486 3.388 0 40 HGAB COc1ccc(OCCNC(=O)c2cc(C3CCOCC3)c3cnccc3n2)cc1 19556868 FLOLKLOYCXWSKN-UHFFFAOYSA-N 407.470 3.341 0 40 HGAB C[C@@H](Cn1nc2c(cc1=O)CCCC2)NC(=O)C(c1ccccc1)c1ccccc1 19574181 IUFGLIWOHCHIKB-SFHVURJKSA-N 401.510 3.459 0 40 HGAB Cc1ccc([C@H](CNC(=O)c2ccc3c(c2)ncn3C2CC2)N2CCOCC2)cc1 19714304 MABLQCKCVIJMOL-QHCPKHFHSA-N 404.514 3.483 0 40 HGAB C[C@@H](CN(C)C(=O)Cn1cccc(C(=O)NC2CCCCC2)c1=O)c1ccccc1 19749986 GTSNNLUQLJAAOP-SFHVURJKSA-N 409.530 3.173 0 40 HGAB Cc1ccc(Nc2nc(N)nc(CN3CCN(Cc4ccccc4)CC3)n2)cc1C 19899179 ILSCQEPNRLBREA-UHFFFAOYSA-N 403.534 3.132 0 40 HGAB COc1ccc([C@@H](CC(=O)N2CCCCC2)N(C)S(=O)(=O)c2ccccc2)cc1 19936137 SDRCRBZXEARARP-OAQYLSRUSA-N 416.543 3.460 0 40 HGAB COc1cc([C@@H]2SCC(O)=Nc3c2c(C)nn3-c2ncccn2)cc(OC)c1O 20745081 UNDWGUWHSSXRNV-KRWDZBQOSA-N 413.459 3.118 0 40 HGAB C[C@H]1C[C@@H](C)CN(Cc2csc(NC(=O)CCCNC(=O)c3ccco3)n2)C1 22294528 JPOBYTVXPVXZFD-GASCZTMLSA-N 404.536 3.363 0 40 HGAB Cc1ccc(NC(=O)[C@H](C)N2CCN(Cc3ccco3)CC2)c(Br)c1 22930631 URRAWFBIUDGSOV-HNNXBMFYSA-N 406.324 3.495 0 40 HGAB COc1ccccc1N1CCN(C[C@@H](O)COC23CC4CC(CC(C4)C2)C3)CC1 23114555 GRFCCEHKBSRLAQ-PJVWNMJMSA-N 400.563 3.164 0 40 HGAB COC(=O)C1=C(CN2CCc3ccccc32)N(C2CC2)C(=O)N[C@H]1c1ccccc1 25049760 IXCQQMGPLGUQIZ-QFIPXVFZSA-N 403.482 3.405 0 40 HGAB CN(C)C(=O)c1ccc(NC(=O)c2ccccc2SCC(=O)N2CCCC2)cc1 27223772 ZKBCDZYPGWSGBV-UHFFFAOYSA-N 411.527 3.355 0 40 HGAB COC(=O)/C=C/c1ccc(OCC(=O)N2c3ccccc3NC(=O)C2(C)C)c(OC)c1 29697168 UWTVLQAXXYYSHJ-ZRDIBKRKSA-N 424.453 3.024 0 40 HGAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21 30758649 AOOJYMWDOMGVHZ-OAQYLSRUSA-N 416.543 3.300 0 40 HGAB C[C@H](CCc1ccccc1)NC(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1 30943927 XWIIDETXGNWGJV-KUHUBIRLSA-N 422.934 3.005 0 40 HGAB CCN(C(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1)c1ccc(F)cc1 32738376 RQZWBEJAIALIMK-HOTGVXAUSA-N 420.506 3.290 0 40 HGAB CCc1ccc(C(=O)Nc2cccc(C)c2C)cc1S(=O)(=O)N1CCOCC1 32795048 TYVOQCXOSOGCMO-UHFFFAOYSA-N 402.516 3.139 0 40 HGAB CSCC[C@@H](C(=O)Nc1ccnn1C1CCCC1)N1C(=O)c2ccccc2C1=O 32983075 QCAOCGANVYGSAC-KRWDZBQOSA-N 412.515 3.355 0 40 HGAB Cc1c(C)c2ccc(OC[C@H](O)CNCCc3c[nH]c4ccccc34)cc2oc1=O 35686217 PKEYNYJJDHITJX-GOSISDBHSA-N 406.482 3.463 0 40 HGAB biogenic COc1c(C(N)=O)cn(C)c1-c1nc2cc(NC(=O)c3cccs3)ccc2n1C 36354467 SMBQZSJIXUZPCS-UHFFFAOYSA-N 409.471 3.000 0 40 HGAB COc1ccc(OC)c(NC(=O)c2ccc(Cn3cnc4ccccc4c3=O)o2)c1 36357268 SGPBJOIQVDYGPL-UHFFFAOYSA-N 405.410 3.307 0 40 HGAB Cc1nn(CC(=O)N2CCC(Cc3ccccc3)CC2)c(=O)c2c1cnn2C(C)(C)C 36665599 BKGPOKYWSASKKX-UHFFFAOYSA-N 421.545 3.138 0 40 HGAB CCOC(=O)c1cc2cc(NC(=O)C3(NS(C)(=O)=O)CCCCC3)ccc2s1 40155169 RDPXXTUIRFTBKL-UHFFFAOYSA-N 424.544 3.269 0 40 HGAB CN(C)c1ccc(-c2noc([C@@H]3CCCN3Cc3nc4ccccc4n3C)n2)cn1 49155465 PSWYKRDFIYVBDE-SFHVURJKSA-N 403.490 3.421 0 40 HGAB biogenic,in-vitro CCCCN(CC)C(=O)Cn1c(=O)n(CCc2cccs2)c(=O)c2ccccc21 57473223 YJHKZAGLVKIARE-UHFFFAOYSA-N 413.543 3.116 0 40 HGAB CC[C@H](c1nnnn1C1CCCC1)N(CCCO)Cc1cc2cccc(C)c2[nH]c1=O 57645743 HLZTVBMDAGJJFA-HXUWFJFHSA-N 424.549 3.274 0 40 HGAB CCCCn1c(CN(C)Cc2ccc(F)cc2)nc2cc(S(N)(=O)=O)ccc21 57697413 ZUECOVZIIAJRCJ-UHFFFAOYSA-N 404.511 3.255 0 40 HGAB CCn1c(SCC(=O)NC2CCCCC2)nnc1-c1ccc(NC(C)=O)cc1 59099162 NUNJOKDJZBHDBN-UHFFFAOYSA-N 401.536 3.464 0 40 HGAB CC(=O)Nc1cc(-c2ccccc2)nn([C@H](C)C(=O)N2CCc3ccccc32)c1=O 64604884 ZXQUBZKEXHKQLG-OAHLLOKOSA-N 402.454 3.019 0 40 HGAB Cc1c(C(=O)NCCC(C)C)nnn1-c1cccc2c1CCN(Cc1cccnc1)C2 70004259 VIYLWQBOJAONOR-UHFFFAOYSA-N 418.545 3.305 0 40 HGAB CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1cc(CC)c(C)s1 72301375 FRCZNYDFKZDMCW-HNNXBMFYSA-N 410.536 3.244 0 40 HGAB O=C(NCCC(=O)N1CCc2sccc2C1)c1cc(Cl)c2c(c1)OCCCO2 95392991 HOWDVLYZKGYCSX-UHFFFAOYSA-N 420.918 3.268 0 40 HGAB CC(C)COc1ccccc1[C@H](CC(C)C)NC(=O)C(=O)Nc1cccn(C)c1=O 95410000 WNXDGFMVIBZEEC-IBGZPJMESA-N 413.518 3.262 0 40 HGAB O=C(Nc1nnc([C@@H]2CCCO2)s1)c1cc(=O)c(OCc2ccccc2F)co1 96231794 MYAYNOASJBVXML-AWEZNQCLSA-N 417.418 3.313 0 40 HGAB COc1ccc(/C=C2/SC(=O)N(CCNC(=O)Cc3ccccc3F)C2=O)cc1 96551260 YKAGGLANSQWLJQ-LDADJPATSA-N 414.458 3.230 0 40 HGAB O=S(=O)(Nc1nnc(-c2ccccc2)o1)c1cc(Br)cc2c1OCC2 97143762 YUFWEHKGKIEEGX-UHFFFAOYSA-N 422.260 3.235 0 40 HGAB Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@@H]2[C@H]2CCCN21 101343779 VLLJMMUWEYSLRX-FZONSQQESA-N 421.884 3.080 0 40 HGAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](NC(=O)c1cnc3ccc(Br)cn3c1=O)C2 102130188 JGTMBBKYOPBWMX-SZEPBZDZSA-N 404.308 3.402 0 40 HGAB CCN(c1ccc(C(=O)N[C@@H](C)COc2ccc(C)cc2)cc1)S(=O)(=O)CC 222402852 PSKOYWBNAMRJAZ-KRWDZBQOSA-N 404.532 3.368 0 40 HGAB CCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)COc1ccccc1OC 222887293 LBVJEYQSLUEKTH-HNNXBMFYSA-N 404.894 3.281 0 40 HGAB COc1ccc(CN(C(=O)Cc2ccccc2)[C@@H](C)C(=O)NCc2ccccn2)cc1 222990026 AATODDGXJXZYGI-IBGZPJMESA-N 417.509 3.366 0 40 HGAB COc1ccccc1C(=O)NCCCOC(=O)c1snnc1-c1cccs1 223848929 URAQAQOSPASMNS-UHFFFAOYSA-N 403.485 3.252 0 40 HGAB COc1ccc(S(=O)(=O)NCCOc2ccccc2Cl)cc1Br 223978052 SUIBFVFAVXROBA-UHFFFAOYSA-N 420.712 3.468 0 40 HGAB Cc1cc(C)cc(N([C@@H](C)C(=O)NCCOc2cc(C)ccc2C)S(C)(=O)=O)c1 223999571 LNXFUWVMQPTVOY-IBGZPJMESA-N 418.559 3.270 0 40 HGAB CCc1ccccc1N(CC(=O)OC)S(=O)(=O)c1ccc(Br)cc1 224724671 OJKLIWUGHKUUEY-UHFFFAOYSA-N 412.305 3.380 0 40 HGAB CC(C)[C@H](C)NC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1 225209916 QYBRJRLOHIMRAP-LIRRHRJNSA-N 422.934 3.457 0 40 HGAB CCOc1ccc(CCCNS(=O)(=O)c2ccc3c(c2)sc(=O)n3CC)cc1 225696612 RUWLLTNQZSPIBE-UHFFFAOYSA-N 420.556 3.393 0 40 HGAB O=C(NC1CCN(c2cc3c(nn2)CCCC3)CC1)c1ccc(C(F)(F)F)nc1 225793582 HOMUFJVRAHFEGM-UHFFFAOYSA-N 405.424 3.168 0 40 HGAB Cc1nc(-c2ccc(S(=O)(=O)NC[C@H](O)c3ccc4c(ccn4C)c3)cc2)co1 252492448 MMQSLSVGPYABDI-NRFANRHFSA-N 411.483 3.154 0 40 HGAB CCn1cc(CN2CCC3(CC2)c2ccccc2N(CC(C)C)S3(=O)=O)cn1 306124136 BHCUMPRBQHRACH-UHFFFAOYSA-N 402.564 3.200 0 40 HGAB COC(=O)c1cccc(NC(=O)[C@H](C)N(c2cc(C)cc(C)c2)S(C)(=O)=O)c1C 408545904 PLGDWHWSILBWOI-INIZCTEOSA-N 418.515 3.192 0 40 HGAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@@H](C)CC)C2)cc1Cl 408626230 VDCJBQGYIJGMEN-UONOGXRCSA-N 402.944 3.054 0 40 HGAB CCCNC(=O)c1ccccc1NC(=O)CCCN(c1ccccc1)S(C)(=O)=O 408678217 DFGPILLHLJRFSA-UHFFFAOYSA-N 417.531 3.011 0 40 HGAB C[C@@]12C[C@@H](c3ccccc3O1)[C@@H](C(N)=O)C(=O)N2CCNc1cccc2ccccc12 604418755 YVTQITVTMFONTF-JTJYXVOQSA-N 415.493 3.478 0 40 HGAB CCOc1ccc(Nc2nnc([C@H](NC(=O)c3ccccc3)C(=O)OC)s2)cc1 606422219 ASLNVNDDPGXTCX-INIZCTEOSA-N 412.471 3.325 0 40 HGAB CC(=O)N1CCN(C2CCN(C(C)C)CC2)C[C@@H](Cc2cnc3ccccc3c2)C1 1615153723 ARPYEOULLMYQAB-QFIPXVFZSA-N 408.590 3.430 0 40 HGAB Cc1ncsc1C(=O)N1CCC(Cn2c(C)nc3cc(F)ccc3c2=O)CC1 1888890756 ATSVHJJGSCXVIY-UHFFFAOYSA-N 400.479 3.161 0 40 HGAB CCOC(=O)CN1C(=O)[C@](O)(CC(=O)c2ccc(C(C)(C)C)cc2)c2ccccc21 915213 WLFPNGHZIMZZLU-DEOSSOPVSA-N 409.482 3.354 0 40 HGAB C[C@H]1N=C2c3ccccc3N=C(SCc3cc(=O)n4cc(Cl)ccc4n3)N2C1=O 2965511 TXOQVBJZANGJTM-LLVKDONJSA-N 423.885 3.260 0 40 HGAB CCOc1ccc(NC2CCN(S(=O)(=O)c3ccc(NC(C)=O)cc3)CC2)cc1 4418022 YENJLAOZXBWMBY-UHFFFAOYSA-N 417.531 3.309 0 40 HGAB CC(C)Nc1nnc(S[C@@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)s1 4500643 KKSHGXMUWGNQNJ-ZDUSSCGKSA-N 407.565 3.314 0 40 HGAB CN1C(=O)N[C@@H](c2ccc(Br)cc2)C2=C1CN(c1cccc(O)c1)C2=O 4776454 ONABYAHPZJAGNU-KRWDZBQOSA-N 414.259 3.152 0 40 HGAB COc1ccc(C(=O)N2C[C@@H]3C[C@H](C2)c2ccc(-c4cccnc4)c(=O)n2C3)cc1 5396508 PLUROLYYGZXUDD-QFBILLFUSA-N 401.466 3.178 0 40 HGAB biogenic,in-vitro Cn1c(S)nnc1[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1 5753504 RGBFILYMBVLWGV-HNNXBMFYSA-N 408.936 3.020 0 40 HGAB O=C(Nc1ccc(N2CCOCC2)cc1N1CCOCC1)c1cc2ccccc2o1 6125330 OIEKGOBVWOGNOE-UHFFFAOYSA-N 407.470 3.358 0 40 HGAB C[C@H]1CCCN(S(=O)(=O)c2csc(C(=O)Nc3ccccc3C(=O)O)c2)C1 6680890 KNYREEMYMRLZMR-LBPRGKRZSA-N 408.501 3.119 0 40 HGAB Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)N3c4ccccc4C[C@H]3C)s2)cc1 6817975 ZKHMTEONLDNYGU-CYBMUJFWSA-N 414.512 3.239 0 40 HGAB COc1ccc(CN(C)S(=O)(=O)c2cc(Br)ccc2OC)cc1 7214425 UZMLCLRICRESGK-UHFFFAOYSA-N 400.294 3.287 0 40 HGAB Nc1nc(COC(=O)c2cccnc2SC(F)F)nc(Nc2ccccc2)n1 7371059 CYDQVAHAKSNAOF-UHFFFAOYSA-N 404.402 3.264 0 40 HGAB CCOc1cc(C(=O)NCc2cccs2)ccc1OCC(=O)N1CCCCC1 7986819 HUVRZJXAOHNJHG-UHFFFAOYSA-N 402.516 3.468 0 40 HGAB CCOc1ccc(-n2ccc(=O)c(C(=O)Nc3ccc(OC(F)F)cc3)n2)cc1 8917512 RHRMSEOUUSFZEI-UHFFFAOYSA-N 401.369 3.485 0 40 HGAB CC(C)(C)n1ncc2c(=O)n(NC(=O)c3cc(Br)ccc3Cl)cnc21 10250817 YBWSBFHHNPKSGG-UHFFFAOYSA-N 424.686 3.148 0 40 HGAB O=C(C[C@H]1CCCCN1S(=O)(=O)c1ccccc1)NCCCc1ccccc1 11612576 DUNGWFRSTARQOA-HXUWFJFHSA-N 400.544 3.369 0 40 HGAB COc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)c2cccnc2)CC3)cc1 11906496 YENPRZBHFOMSGT-UHFFFAOYSA-N 409.467 3.094 0 40 HGAB COc1cccc(O[C@@H](C)C(=O)N2CCC[C@H](c3noc(-c4cnc(C)cn4)n3)C2)c1 12187749 UXHZWEDKIQCYSB-HOTGVXAUSA-N 423.473 3.017 0 40 HGAB COc1ccc(-n2cnn(CN3CCN(c4ccccc4OC)CC3)c2=S)cc1 12517577 UZMRHCVOTPOZKB-UHFFFAOYSA-N 411.531 3.200 0 40 HGAB c1ccc(-c2noc(CSc3nnc(N4CCOCC4)n3-c3ccccc3)n2)cc1 12543231 UOLMKNUIJLTTPJ-UHFFFAOYSA-N 420.498 3.446 0 40 HGAB CN(C[C@H]1COc2ccccc2O1)C(=O)C1CCN(C(=O)Nc2ccccc2)CC1 12568896 QOHCXPYNGCKLEN-IBGZPJMESA-N 409.486 3.229 0 40 HGAB C[C@H](C(=O)NCc1ccc2c(c1)OCO2)N(C)CC(=O)Nc1cccc2ccccc12 12698576 KOOBMYBGIJNCIR-MRXNPFEDSA-N 419.481 3.144 0 40 HGAB Cc1cc(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)c(C)n1CCc1ccccc1 12797974 WTTHGOFEEFXMBV-UHFFFAOYSA-N 422.506 3.375 0 40 HGAB C[C@H](NC(=O)c1cccc(I)c1)c1ccc(-n2cncn2)cc1 12939590 SDVLXLSQVYEMNS-LBPRGKRZSA-N 418.238 3.363 0 40 HGAB CN(C)[C@H](CNC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)c1cccs1 12981013 UVAAEBLVSTTZSL-GOSISDBHSA-N 403.523 3.159 0 40 HGAB COc1cc(C(=O)NCC(=O)N[C@H](C)c2cc3ccccc3o2)cc(OC)c1OC 14182165 HDIOPHCAZJWCDG-CYBMUJFWSA-N 412.442 3.066 0 40 HGAB CCC(=O)c1ccc(OC[C@@H](O)CSc2nnnn2-c2c(C)cccc2C)cc1 14238329 JGPZVXMETHGNPV-QGZVFWFLSA-N 412.515 3.404 0 40 HGAB CC(C)[C@@H](NC(=O)c1ccc(S(C)(=O)=O)cc1)c1ccc2c(c1)OCCCO2 14636347 CLYZCMOESYCEMS-HXUWFJFHSA-N 403.500 3.379 0 40 HGAB COC(=O)[C@@](NC(=O)c1cccc(Cl)c1)(Nc1cc(C)ccn1)C(F)(F)F 17241663 IZJFYSZBCGPAFK-INIZCTEOSA-N 401.772 3.317 0 40 HGAB CCOc1ccc(NC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)cc2)cc1 17952151 VHWXKBGEDHZOMT-IYBDPMFKSA-N 418.515 3.136 0 40 HGAB Cc1nc(C[C@H](NC(=O)c2nccc3ccccc23)c2ccc(F)cc2)cc(=O)[nH]1 19285374 FUUKSDHRWDVCBD-FQEVSTJZSA-N 402.429 3.479 0 40 HGAB COc1cccc(C(=O)N2CCNC(=O)[C@@H](Cc3ccccc3-c3ccncc3)C2)c1 19564659 MQMYJGFWMDQMAC-NRFANRHFSA-N 415.493 3.188 0 40 HGAB COc1ccc(-c2cnc(N(C)C)nc2[C@@H]2CCN(Cc3cn(C)nc3C)C2)cc1 19694776 LFOORQZQAGFKQA-GOSISDBHSA-N 406.534 3.250 0 40 HGAB Cc1nc([C@@H]2CCCN2C(=O)Cn2cccn2)ccc1C(=O)NCc1ccc(F)cc1 19711205 DZCXBDGSDMBAJL-NRFANRHFSA-N 421.476 3.019 0 40 HGAB CCc1cc2c(=O)n(CC(=O)N(Cc3ccccc3)C3CCN(C)CC3)cnc2s1 19714821 SIWFNEHDZOMPOW-UHFFFAOYSA-N 424.570 3.143 0 40 HGAB CCCn1c(CN2CCC(Cc3nc(C)ncc3C(=O)NC)CC2)nc2ccccc21 19756978 OBVVNPJSDJDGEJ-UHFFFAOYSA-N 420.561 3.359 0 40 HGAB Cc1cc(C)nc(SCc2cc(=O)[nH]c(Nc3nc(C)c4ccccc4n3)n2)n1 19817395 BJJZWZOWYIOPKL-UHFFFAOYSA-N 405.487 3.464 0 40 HGAB CCOC(=O)[C@H]1C(=O)N(CCCOC)c2nc3ccccc3n2[C@H]1c1ccc(C)cc1 19818319 GXIYVXYNSZYBGX-RTWAWAEBSA-N 421.497 3.497 0 40 HGAB Cc1ccc([C@@H](c2nnnn2C[C@H]2CCCO2)N2CCN(C3CCCCC3)CC2)cc1 20140657 DRYWWSNSECVKDS-PKTZIBPZSA-N 424.593 3.200 0 40 HGAB CC[C@H](O)CNc1nc2sc3c(c2c(=O)n1-c1cccc(Cl)c1)CCN(C)C3 20547336 GPDLYNFZECKLBP-AWEZNQCLSA-N 418.950 3.271 0 40 HGAB CCCN(C(=O)c1cc(-c2ccccc2)nc2onc(C)c12)[C@H]1CCS(=O)(=O)C1 22316640 SBVXJZNAZMVXPD-INIZCTEOSA-N 413.499 3.238 0 40 HGAB CNC(=O)c1cc(S(=O)(=O)N[C@H](CC(C)C)c2ccc(OC)cc2)ccc1OC 22512471 ZEQPOLNJIFFMJZ-LJQANCHMSA-N 420.531 3.129 0 40 HGAB CC1(C)Cc2cccc(OCc3ccc(C(=O)NCCN4CCOCC4)cc3)c2O1 22713975 VUDTUVXVTAVZEE-UHFFFAOYSA-N 410.514 3.041 0 40 HGAB CCN1CCN(Cc2ccc(NC(=O)COCc3cc(-c4ccco4)on3)cc2)CC1 22936504 ULIYMKNKKBLIEK-UHFFFAOYSA-N 424.501 3.227 0 40 HGAB COc1cccc([C@H](CNC(=O)COc2ccc3ccccc3c2)N2CCOCC2)c1 23105945 BRXHRWXBKRDLDF-DEOSSOPVSA-N 420.509 3.417 0 40 HGAB C[C@@]1(c2ccco2)NC(=O)N(CC(=O)c2ccc(NC(=O)c3ccccc3)cc2)C1=O 23881167 WEKBYRGHASUFHW-QHCPKHFHSA-N 417.421 3.182 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCN(Cc3ncc(-c4ccc(F)cc4)o3)CC2)cc1 24177494 TYAZCOPIXJEUNF-UHFFFAOYSA-N 415.490 3.296 0 40 HGAB CCOC(=O)c1cnn(-c2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc2)c1C 24574293 LLBPMPSFHXPHJV-UHFFFAOYSA-N 407.426 3.016 0 40 HGAB Cc1ccc(-n2cnnc2SCCOc2ccc(S(N)(=O)=O)cc2)cc1Cl 29838166 ZLULBHNILDPUMG-UHFFFAOYSA-N 424.935 3.048 0 40 HGAB COC(=O)C[C@H](NC(=O)c1ccc2c(c1)CCN2C(C)=O)c1ccc(Cl)cc1 30992356 AYJLWMJADGJZPZ-SFHVURJKSA-N 400.862 3.283 0 40 HGAB O=C(NCCN1CCc2ccccc2C1)c1ccc(I)cc1 31337935 VRDSTCKEQGKPDM-UHFFFAOYSA-N 406.267 3.079 0 40 HGAB CN(CCCNC(=O)C[C@@H](NC(N)=O)c1ccc(Cl)cc1)Cc1ccccc1 32765972 DCROPYHRIPZRNY-LJQANCHMSA-N 402.926 3.078 0 40 HGAB CC(C)(C)NC(=O)c1ccc(NCC(=O)N2c3ccccc3NC(=O)C2(C)C)cc1 32909063 OEUNTKNFNIFQNA-UHFFFAOYSA-N 408.502 3.391 0 40 HGAB CCOc1ccc(NC(=O)COc2ccc(Cl)cc2Cl)cc1S(N)(=O)=O 32912269 WGXQCOUIZZSHIU-UHFFFAOYSA-N 419.286 3.057 0 40 HGAB CC(=O)N[C@H](CC(=O)Nc1ccccc1N1CCOCC1)c1ccccc1Cl 32922359 FFBXRVRCBNQENB-LJQANCHMSA-N 401.894 3.383 0 40 HGAB COc1ccc(S(=O)(=O)N(CC(=O)NC(C)C)C2CCCCC2)cc1Cl 33637245 OMZDACCGOYYVRP-UHFFFAOYSA-N 402.944 3.197 0 40 HGAB Cc1ccc(NC(=O)C[S@](=O)CC(=O)N[C@@H]2CCc3ccccc32)cc1Cl 35314113 WQHWDGFZHVFNDA-DNOBIOAJSA-N 404.919 3.139 0 40 HGAB C[C@@H]1Oc2ccccc2N(CC(=O)Nc2ccc(Sc3nncs3)cc2)C1=O 40150647 BJSCQKVOKNKYNK-LBPRGKRZSA-N 412.496 3.442 0 40 HGAB CCOc1cccc(-c2noc(Cn3nc(-c4ccc(OC)cc4)ccc3=O)n2)c1 44166109 NAXMMUUEZJZMKD-UHFFFAOYSA-N 404.426 3.416 0 40 HGAB CC(=O)Nc1ccc(NC(=O)[C@H]2CCN(c3cccc(Br)c3)C2=O)cc1 48166749 FMLOATQWXKTUBD-QGZVFWFLSA-N 416.275 3.399 0 40 HGAB CN(C)c1c(Cl)cccc1NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 48263765 HRSQDDDPJUJEPN-ZDUSSCGKSA-N 415.877 3.169 0 40 HGAB CC(C)OC(=O)C[C@H](NC(=O)[C@@H]1CCCN(C(=O)N2CCCC2)C1)c1ccccc1 48340357 UHKVOSVDFONYRF-UXHICEINSA-N 415.534 3.113 0 40 HGAB Cc1ccc([C@H]2NC(=O)N(CC(=O)Nc3c(C)cccc3C)C3=C2C(=O)OC3)cc1 49402879 AYRTWMQHCNVVSU-OAQYLSRUSA-N 405.454 3.128 0 40 HGAB COc1ccc2c(ccn2CC(=O)Nc2cccc(N3CCCCS3(=O)=O)c2)c1 71282831 VWFPBRKWZPCFBH-UHFFFAOYSA-N 413.499 3.219 0 40 HGAB Cc1nn(C)c2nc(C3CC3)cc(C(=O)N3CC(OCCCOc4ccccc4)C3)c12 72311800 PQELUQZGNKJNDP-UHFFFAOYSA-N 420.513 3.464 0 40 HGAB Cc1cccc(N2CCN(C(=O)Nc3ccc(CCN4CCOCC4)cc3)[C@H](C)C2)n1 72313607 WSPAMSBDXNHAOJ-HXUWFJFHSA-N 423.561 3.007 0 40 HGAB CO[C@@H]1CCC[C@H](C(=O)N2CCC[C@H]([C@@H]3C[C@H](C(F)(F)F)n4ncnc4N3)C2)C1 72341384 XJSYFOWSSAMOSA-ARKGTOAJSA-N 415.460 3.010 0 40 HGAB O=C1C[C@H]2CC[C@@H](CN1)N2C(=O)c1ccc(Oc2ccc(Br)cc2)nc1 79000749 LIOJXRQGQNRTLT-CABCVRRESA-N 416.275 3.130 0 40 HGAB COC(=O)Nc1ccc(NC(=O)N(C)C[C@H](c2cccs2)N2CCOCC2)cc1 89340167 QRZCLZLTFSOPIM-QGZVFWFLSA-N 418.519 3.464 0 40 HGAB CC(C)(C)OC(=O)NC[C@H]1CCCC[C@@]12NC(=O)N(Cc1cccc(F)c1)C2=O 95405515 QVLADQDXUGMXDM-QVKFZJNVSA-N 405.470 3.331 0 40 HGAB O=C(N[C@H](c1ccccc1)c1nc[nH]n1)C1CCN(c2nc3ccccc3o2)CC1 95467861 FSNHAPPHIBPRHY-LJQANCHMSA-N 402.458 3.068 0 40 HGAB O=C([C@H]1CC(=O)N(c2n[nH]c3ccccc23)C1)N1CCC(Cc2ccccc2)CC1 96343891 HIGBIEQIDCOCLV-IBGZPJMESA-N 402.498 3.397 0 40 HGAB O=C(CN1C(=O)S/C(=C/c2cccs2)C1=O)N[C@@H]1CCOc2ccccc21 97996474 UZWUVROGCVDOQM-DWKHYPNZSA-N 400.481 3.424 0 40 HGAB COc1ccc2c(c1)[C@H]1C[C@](C)(O2)N(C)C(=O)[C@H]1S(=O)(=O)c1ccc(C)c(C)c1 100893904 VNXZQQDHECMJME-CBQOVEMMSA-N 415.511 3.209 0 40 HGAB CC[C@H](NC(=O)[C@@H](C)N(c1cccc(OC)c1)S(C)(=O)=O)c1ccc(OC)cc1 220183221 DXDCBKGTCKPWFT-QRWLVFNGSA-N 420.531 3.126 0 40 HGAB COc1ccc(C)cc1N([C@H](C)C(=O)N[C@@H]1CCCc2ccccc21)S(C)(=O)=O 220346831 GPGAQUXHAGSDLM-VQIMIIECSA-N 416.543 3.352 0 40 HGAB CC[C@@H](C(=O)N[C@@H](C)c1ccc(C)cc1)N(c1cccc(OC)c1)S(C)(=O)=O 220630952 TYUODYMVDWULGZ-JXFKEZNVSA-N 404.532 3.426 0 40 HGAB CNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CSCc1ccc(OC)cc1 222445887 SCQKJSJDWFQHCW-KRWDZBQOSA-N 400.544 3.400 0 40 HGAB CNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CCc1ccc(OC)c(OC)c1 222527183 CQKMOISSCVYKCN-OAHLLOKOSA-N 418.921 3.453 0 40 HGAB CCCC(=O)N(Cc1ccc(Cl)cc1)[C@@H](Cc1ccccc1)C(=O)NCCO 223126302 VSEQLOKOHGULDL-FQEVSTJZSA-N 402.922 3.189 0 40 HGAB C[C@H](NC(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O)c1ccc2c(c1)CCC2 223167233 OTBBGTADUUTOPD-AWEZNQCLSA-N 406.935 3.472 0 40 HGAB CC1(C)O[C@@H]2O[C@H](C(=O)Oc3cccc4ccccc34)[C@@H]3OC(C)(C)O[C@H]3[C@H]2O1 245026714 NHZBMHKKEJZBSF-NUABRCLCSA-N 400.427 3.142 0 40 HGAB biogenic COc1ccccc1N(CC(=O)N[C@@H]1C[C@H]2CC[C@H]1C2)S(=O)(=O)c1ccccc1 250405814 RWSZNZRXIABBSB-JENIJYKNSA-N 414.527 3.195 0 40 HGAB CC1(C)CN(C(=O)NCc2ccccc2)C[C@@H]2CN(Cc3ccc(F)cc3)CCN21 253398044 GKVNPZQEXWCSSO-QFIPXVFZSA-N 410.537 3.316 0 40 HGAB biogenic,in-vitro COc1ccc(C2(C(=O)N3CCC[C@H](n4cc(C(N)=O)cn4)CC3)CCCCC2)cc1 257266665 MDZGUTUESDFORG-FQEVSTJZSA-N 424.545 3.446 0 40 HGAB CC(C)CN1CC[C@]2(C1)CN(Cc1ccccc1)S(=O)(=O)c1ccccc1O2 306125354 CNHWYZPEIGWNMZ-QFIPXVFZSA-N 400.544 3.370 0 40 HGAB Cc1ncsc1CN1CCC2(CCc3nnc(C(=O)NCCC(C)C)n3C2)CC1 306125685 CXYOIMPIBNISPH-UHFFFAOYSA-N 416.595 3.048 0 40 HGAB COc1cccc(CN2CCC3(CCc4nnc(C(=O)NC5CCCC5)n4C3)CC2)c1 306142535 XCGZEYYONPUPJU-UHFFFAOYSA-N 423.561 3.188 0 40 HGAB CC(=O)Nc1ccc(NS(=O)(=O)c2ccc(NC(=O)N3CCCC3)cc2)cc1 408559670 AVEVEPWDBGQMIE-UHFFFAOYSA-N 402.476 3.074 0 40 HGAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)cc1 408607856 QRIZBZNDRVUITI-GFCCVEGCSA-N 416.421 3.410 0 40 HGAB CCN1CCN(C(=O)CCC(=O)O)C[C@@H](Cc2ccccc2-c2ccc(C)cc2)C1=O 585183586 FENMPLGYVNOWKL-OAQYLSRUSA-N 422.525 3.376 0 40 HGAB CC[C@H](C(=O)Nc1cnn(Cc2ccccn2)c1)n1nnc(-c2ccc(Cl)cc2)n1 624164215 YPSGHOISGITFRA-GOSISDBHSA-N 422.880 3.223 0 40 HGAB O=S1(=O)CCC(CN2CCC[C@H](COc3ncccc3C(F)(F)F)C2)CC1 1775995726 GJTDUWDIPNSVGW-HNNXBMFYSA-N 406.470 3.016 0 40 HGAB Cc1ccc(S(=O)(=O)N[C@@H](Cc2c[nH]c3ccccc23)c2nnc(S)o2)cc1 2049251908 JIRLCVHBBGRHHN-KRWDZBQOSA-N 414.512 3.410 0 40 HGAB CCOc1ccccc1NC(=O)COC(=O)/C=C/c1cc(OC)c(OC)c(OC)c1 1919002 QMWUYCFSMNKRCO-ZHACJKMWSA-N 415.442 3.306 0 40 HGAB COCCn1c(SCc2ccccc2F)nc2cc(C(=O)OC)ccc2c1=O 3052105 CMFQZQIAMZYONQ-UHFFFAOYSA-N 402.447 3.261 0 40 HGAB C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)N1CC=C(c3ccccc3)CC1)C2=O 3406652 YBSUAFHBGBTWLX-BXKMTCNYSA-N 409.530 3.439 0 40 HGAB COc1ccc(N2C[C@H](NC(=O)COc3ccc4ccccc4c3)CC2=O)cc1OC 4497673 XTXURSMHASRSOU-GOSISDBHSA-N 420.465 3.158 0 40 HGAB COc1ccc(NC(=O)[C@@H](Cc2ccccc2)N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2=O)cc1 4554307 CUNZZMHAVBCWQM-IUGIXFBWSA-N 418.493 3.276 0 40 HGAB Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc4c(c3)OCCO4)C2=O)cc1 4704667 FFQUITILDWVBQD-WQRHYEAKSA-N 410.451 3.441 0 40 HGAB COc1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@@H]2c2cccc(OC)c2OC)cc1 4716114 FNDTYWDBDKBSRS-LJQANCHMSA-N 421.457 3.232 0 40 HGAB CCOC(=O)Cc1csc(NC(=O)c2cc(Cl)c(NC(C)=O)cc2OC)n1 4815770 SDFZDXFXLQNSAG-UHFFFAOYSA-N 411.867 3.121 0 40 HGAB O=C(COc1ccccc1Cl)N(Cc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 5178796 ZDQMUPLIYNNDJK-MRXNPFEDSA-N 411.882 3.074 0 40 HGAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)COc2ccc3c(c2)CCC3)c1 5636054 DYCZWVMYPDTHBE-UHFFFAOYSA-N 402.516 3.223 0 40 HGAB COC(=O)c1cc(OCC(=O)N[C@H](C)c2cccc(Cl)c2)cc(C(=O)OC)c1 6602045 SLCWNAZQFOAAFF-GFCCVEGCSA-N 405.834 3.169 0 40 HGAB Cc1cccc(C(=O)NC(=S)Nc2ncc(I)cc2C)c1 6631146 WDNUOUUJXYIJCH-UHFFFAOYSA-N 411.268 3.430 0 40 HGAB COc1cc([C@@H]2[C@H]3CCCC[C@]3(O)CCN2CC(=O)N2CCCCC2)ccc1O 6641692 WTNJGYFYMAQZAK-YSZBQJHXSA-N 402.535 3.081 0 40 HGAB biogenic O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(Cl)cc1 6767069 MPRYCFNNPDPECX-KRWDZBQOSA-N 420.918 3.000 0 40 HGAB COc1ccc(-c2cc3ncn(CC(=O)OCc4cc(C)on4)c(=O)c3s2)cc1 7142419 YYHMBZTTXDFXGU-UHFFFAOYSA-N 411.439 3.173 0 40 HGAB Cc1sc2ncnc(SCC(=O)NC[C@@H]3COc4ccccc4O3)c2c1C 7213964 CJLCRYCRVOXLIC-CYBMUJFWSA-N 401.513 3.356 0 40 HGAB COc1ccccc1OCCOc1ccc(C(=S)N2CCC(C(N)=O)CC2)cc1 8169381 GNKWNQJVDSCCLA-UHFFFAOYSA-N 414.527 3.026 0 40 HGAB CC(C)CNC(=S)NC[C@H]1C[C@@H]2CCN1C[C@@H]2c1cc(C2CCCC2)nn1C 8635458 XQIMKGJYTDTFDS-OTWHNJEPSA-N 403.640 3.376 0 40 HGAB biogenic,in-vitro COc1cc(C)ccc1OCc1nnc(SCc2nc3ccccc3c(=O)[nH]2)n1C 9327534 BCZLJNOUCFAYEE-UHFFFAOYSA-N 423.498 3.240 0 40 HGAB CS(=O)(=O)N1N=C(c2ccc3c(c2)OCO3)C[C@H]1c1ccc(Br)cc1 9495056 BDJGSFMTPRILKE-HNNXBMFYSA-N 423.288 3.289 0 40 HGAB COc1ccc(Cc2nnc3sc(-c4cccc(OC)c4OC)nn23)cc1OC 10311770 USSNNBVKYCZLET-UHFFFAOYSA-N 412.471 3.478 0 40 HGAB COc1ccc(S(=O)(=O)N(CC(=O)N2CCc3ccccc32)c2ccccc2)cc1 10449201 OOXWOCYTICKMTR-UHFFFAOYSA-N 422.506 3.480 0 40 HGAB CCCCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)NCc1ccc(OC)cc1 11423506 YKTUPEIAKLEBFM-DEOSSOPVSA-N 421.497 3.091 0 40 HGAB COC(=O)c1sccc1NC(=O)CSc1nnc(N2CCCCC2)n1C1CC1 11779377 LYQPCLLAJPFOQG-UHFFFAOYSA-N 421.548 3.182 0 40 HGAB C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)S(=O)(=O)c1ccc(C(F)(F)F)cc1 12773904 BFKCULSNHWZQCI-GFCCVEGCSA-N 421.462 3.491 0 40 HGAB O=C1CN(C(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)c2ccccc2N1 12854406 IUBPZANFKXPNMI-UHFFFAOYSA-N 413.480 3.148 0 40 HGAB COc1cc(NC(=O)CCN2C(=O)[C@H](C)Oc3ccccc32)c(OC)cc1Cl 12913795 NLTSCJWIDHVAMT-LBPRGKRZSA-N 404.850 3.500 0 40 HGAB Cc1cc(S(N)(=O)=O)cc(NC(=O)CN(C)Cc2ccc3ccccc3c2)c1C 12927132 GJAJTNNVPSRAFA-UHFFFAOYSA-N 411.527 3.175 0 40 HGAB O=C(CN1C(=O)c2ccccc2S1(=O)=O)N1c2ccccc2CCc2ccccc21 12928293 ZTICUAWISVXYTF-UHFFFAOYSA-N 418.474 3.295 0 40 HGAB Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1 12987835 DNRFRJUNSYKMNE-CYBMUJFWSA-N 408.907 3.495 0 40 HGAB COc1ccc(OC)c(-n2c(SCC(N)=O)nnc2-c2c[nH]c3ccccc23)c1 13131190 IXRZBALOKVPZGW-UHFFFAOYSA-N 409.471 3.010 0 40 HGAB COCCNC(=O)[C@H]1CS[C@H](c2ccc(Cl)cc2)N1C(=O)OC(C)(C)C 13879914 GQPNBWPYWUMGOS-GDBMZVCRSA-N 400.928 3.454 0 40 HGAB C[C@@H](NC(=O)CCc1nc(-c2ccsc2)no1)c1ccc(S(C)(=O)=O)cc1 14198370 CIFXREGTYXMGOH-GFCCVEGCSA-N 405.501 3.012 0 40 HGAB COc1ccc(C2=NO[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C(=O)c2ccco2)cc1OC 15972669 OKUOKVJATFDHJJ-WMZHIEFXSA-N 418.405 3.378 0 40 HGAB O=C(Cc1ccccc1Cl)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 16024836 VEFLCJUWJACKLF-UHFFFAOYSA-N 402.863 3.112 0 40 HGAB COC(=O)c1ccccc1NC(=S)NC(=O)COc1ccc(Br)cc1 16194304 UQYMVXHNKPIUIM-UHFFFAOYSA-N 423.288 3.128 0 40 HGAB C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1CC(=O)Nc1cccc(Cl)c1Cl 16311838 ZWBLIVGIRVIZNM-SNVBAGLBSA-N 414.314 3.031 0 40 HGAB Cc1cccc(C(=O)NC(=S)Nc2ccc(I)c(C)n2)c1 17088755 SFSDYOITFHCYOG-UHFFFAOYSA-N 411.268 3.430 0 40 HGAB Cc1ccc2c(c1)C(=O)N([C@@H](C)C(=O)N1CCCC[C@@H]1C)CC1(CCN(C)CC1)O2 19218375 XYFMLXJANBFNIQ-OALUTQOASA-N 413.562 3.084 0 40 HGAB O=C1CCC[C@]2(CN(Cc3cccc(Oc4ncccn4)c3)C[C@H]2c2ccncc2)N1 19331025 FOZCHLCVMURYEW-XUZZJYLKSA-N 415.497 3.302 0 40 HGAB C[C@H](OC(=O)C1CCN(C(=O)c2ccco2)CC1)C(=O)N[C@H]1CCCc2ccccc21 19483102 KLSQZCDJAIKHFJ-JXFKEZNVSA-N 424.497 3.257 0 40 HGAB COc1ccc(N2C[C@H](C(=O)N3CCC[C@@H]3c3cc(OC)ccc3OC)CC2=O)cc1 19556302 FUGJBKKOCDVABN-IIBYNOLFSA-N 424.497 3.429 0 40 HGAB Cc1noc2nc([C@H]3CCCN(C(=O)CCCn4cncn4)C3)cc(C(F)F)c12 19563866 HKJFTMNEKHUXAR-ZDUSSCGKSA-N 404.421 3.247 0 40 HGAB Cn1cc(C(=O)N2CCO[C@H](c3ccc(-c4cccc(Cl)c4)cn3)C2)ccc1=O 19692483 YVLFYGZLPFZBOV-FQEVSTJZSA-N 409.873 3.314 0 40 HGAB Cc1nn(C)cc1C(=O)N1CCCC[C@H]1c1nc(C)c2c(n1)N(CC1CC1)CCC2 19706246 JXKCWAQGEWIVGP-FQEVSTJZSA-N 408.550 3.357 0 40 HGAB Cc1nc([C@H]2CCCN2Cc2cnn(C)c2C)nc2c1CCC(=O)N2CCC(C)C 19740578 LUERWTDTQSMRJD-HXUWFJFHSA-N 410.566 3.489 0 40 HGAB COc1cc(C(C)=O)ccc1OC[C@@H](O)CN1CCN(c2cccc(Cl)c2)CC1 19908877 LTJBRRKNENDYBG-FQEVSTJZSA-N 418.921 3.113 0 40 HGAB COc1ccc(C)cc1N(CC(=O)N(C)Cc1ccc(Cl)cc1)S(C)(=O)=O 20044120 YQFWJSDNMRFUFJ-UHFFFAOYSA-N 410.923 3.082 0 40 HGAB CN(Cc1ccc(/C=C/C(=O)Nc2ccccc2Br)o1)S(C)(=O)=O 20449904 XHIXGRJKQXXODR-MDZDMXLPSA-N 413.293 3.085 0 40 HGAB CCOc1ccc(CCCNC(=O)CN(c2cccc(C)c2C)S(C)(=O)=O)cc1 22340648 KRBVYGDCDLXSQM-UHFFFAOYSA-N 418.559 3.217 0 40 HGAB COc1ccc(N(CC(=O)N[C@@H](C)C(C)C)S(=O)(=O)c2ccc(C)cc2)cc1 22351380 RUSUGZYYINUNOM-KRWDZBQOSA-N 404.532 3.360 0 40 HGAB CN1CCN([C@@H](CNC(=O)c2cc(-c3ccc(Cl)cc3)on2)c2ccco2)CC1 22938348 BZHROFVIGRQNMB-SFHVURJKSA-N 414.893 3.307 0 40 HGAB C[C@H](Sc1nccn1-c1ccc(Br)cc1)c1nc(N)nc(N(C)C)n1 25034729 YGYQLLRBVGHXFB-JTQLQIEISA-N 420.340 3.321 0 40 HGAB COc1ccc2cc(CNS(=O)(=O)c3cc(OC)c(OC)cc3F)ccc2c1 27967460 ULONRKKZCIQJGN-UHFFFAOYSA-N 405.447 3.483 0 40 HGAB CC(=O)N1C[C@H](C(=O)Nc2nc(CN3CCCCCC3)cs2)Oc2ccccc21 29636892 MHGVPRBAVGLLOP-LJQANCHMSA-N 414.531 3.272 0 40 HGAB CCOc1ccccc1N1CCN([C@@H](C(=O)O)c2c[nH]c3ccc(CO)cc23)CC1 32102644 LJEASBIVNATJRK-JOCHJYFZSA-N 409.486 3.007 0 40 HGAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccc(Cl)cc2)cc1Cl 32440435 GHQWQIGSKBVZSC-SNVBAGLBSA-N 403.287 3.308 0 40 HGAB Cc1cc(C)c(S(=O)(=O)Nc2ccccc2C(=O)O[C@H]2C[C@@H](C)OC2=O)c(C)c1 32879580 KZASZQMIJKSXFD-QAPCUYQASA-N 417.483 3.273 0 40 HGAB O=C(COc1ccccc1C(=O)N1CCOCC1)Nc1cc(Cl)ccc1Cl 32883577 ZTZXERGYHVFXQR-UHFFFAOYSA-N 409.269 3.483 0 40 HGAB Cc1ccc2cc(CN(C(=O)N3CCOCC3)C3CCCCC3)c3nnnn3c2c1 35290246 DSVOTLFENQWGIW-UHFFFAOYSA-N 408.506 3.173 0 40 HGAB C[C@@H](NC(=O)CN1CCN(C(=O)c2ccccc2)CC1)c1ccc2ccccc2c1 35421702 ORBUCBVDZQEVJX-LJQANCHMSA-N 401.510 3.475 0 40 HGAB Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)c3c[nH]cc3-c3ccccc3)CC2)c1 36391157 BQGFCYUUSLUSKD-UHFFFAOYSA-N 423.538 3.445 0 40 HGAB O=C(NCc1ccc(CN2CCCCC2)cc1)c1ccc(Cn2ccccc2=O)o1 40046888 BSWWJZAZXLJBQY-UHFFFAOYSA-N 405.498 3.406 0 40 HGAB CCCNC(=O)c1cccc(NC(=O)[C@H](CC(C)C)N2C(=O)c3ccccc3C2=O)c1 40134397 LYRDCCRCNOXDTP-FQEVSTJZSA-N 421.497 3.476 0 40 HGAB O=C(CCS(=O)(=O)C1CCCC1)Nc1ccc(NC(=O)NCc2ccco2)cc1 40145326 PKTWUJUVWYINNV-UHFFFAOYSA-N 419.503 3.287 0 40 HGAB O=C(NCCc1ccc(F)cc1)N1CCC(CN2C(=O)c3ccccc3C2=O)CC1 40155881 OPPMRUWTHBEIQQ-UHFFFAOYSA-N 409.461 3.086 0 40 HGAB CC(=O)c1ccc(NC(=O)CCCC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 40288575 RDCCYLPNFVFAGO-UHFFFAOYSA-N 411.477 3.486 0 40 HGAB COc1cc(Br)ccc1S(=O)(=O)NC1CC(C)(C)NC(C)(C)C1 41095417 IAMQHQSPYMCBNX-UHFFFAOYSA-N 405.358 3.045 0 40 HGAB C[C@@H]1Oc2ccccc2N(CCC(=O)NCc2cccc(Br)c2)C1=O 45173492 DCSMFMKUSSEUOH-ZDUSSCGKSA-N 403.276 3.270 0 40 HGAB CN(C(=O)CSc1nncn1C)c1ccc(Cl)cc1C(=O)c1ccccc1 45222037 KDDADIVZYWSFEP-UHFFFAOYSA-N 400.891 3.455 0 40 HGAB C[C@H](CNC(=O)Nc1nnc(-c2ccccn2)s1)N1CCc2sccc2C1 47791016 CVVQZKTUYHICCC-GFCCVEGCSA-N 400.533 3.230 0 40 HGAB CC(=O)Nc1c(-c2ccccn2)nsc1C(=O)N1CCN(c2ccccc2C)CC1 49007884 CDUFUXWRMYAERV-UHFFFAOYSA-N 421.526 3.434 0 40 HGAB Cc1ccc([C@@H]2NC(=O)N(CC(=O)Nc3ccc(C)c(C)c3)C3=C2C(=O)OC3)cc1 49402833 GMWBLHGCFSJQJV-NRFANRHFSA-N 405.454 3.128 0 40 HGAB COc1ccc(N(Cc2cccc(C)c2)S(=O)(=O)c2ccc3nncn3c2)cc1 49408295 PNDJRKSWHZAXEX-UHFFFAOYSA-N 408.483 3.442 0 40 HGAB NS(=O)(=O)c1ccc2c(c1)CCN2Cc1cccc(C(=O)Nc2ccccc2)c1 54172978 SSVLUQJJOHGCRA-UHFFFAOYSA-N 407.495 3.149 0 40 HGAB C[C@@H](NCC(=O)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1)c1ccccc1Cl 57650874 PJCSYQZAURAILA-WBVHZDCISA-N 406.935 3.211 0 40 HGAB COC(=O)Nc1ccc(NC(=O)N2CCN(C(=O)c3cc(C)oc3C)CC2)cc1 58016146 NOXNIEULKKFVTF-UHFFFAOYSA-N 400.435 3.065 0 40 HGAB COc1cccc(NC(=O)Cn2cc(-c3ccc(C)cc3)c(N3CCOCC3)n2)c1 62006888 MYXDGQURPWCPOW-UHFFFAOYSA-N 406.486 3.342 0 40 HGAB CC(C)N(C[C@@H]1CCCN(C(=O)NCCCn2ccnc2)C1)C(=O)OC(C)(C)C 69369733 ORKRIUYMEIERDZ-GOSISDBHSA-N 407.559 3.340 0 40 HGAB CCc1nc(NC(=O)c2cccc(N3NC(=O)[C@H]4CC=CC[C@H]4C3=O)c2)sc1C 69928841 VLYSEOGMHVTSKB-JKSUJKDBSA-N 410.499 3.226 0 40 HGAB CC(C)(C(=O)N1CCC(Nc2nc3c(c(=O)[nH]2)CCC3)CC1)c1ccc(Cl)cc1 72389383 VSVOAYILLFDORW-UHFFFAOYSA-N 414.937 3.293 0 40 HGAB Cc1cc(-c2cc(=O)[nH]nc2C2CCN(C(=O)C3(c4ccccc4)CC3)CC2)on1 72396454 NSLZCRXZBPVKHF-UHFFFAOYSA-N 404.470 3.171 0 40 HGAB C[C@@H]1C[C@@H]1C(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CN(Cc1cccs1)CC2 72399096 HEYSQBXQKFRBLT-SIXWZSSISA-N 412.559 3.099 0 40 HGAB O=C(Cn1ccc2ccccc21)N1CCN(CCn2ccnc2-c2ccccc2)CC1 77158613 BMWRMUKNIVCYQH-UHFFFAOYSA-N 413.525 3.349 0 40 HGAB COc1ccc(NC(=O)[C@H]2Oc3cc(C)oc(=O)c3[C@H]2c2ccc3c(c2)OCO3)cc1 96336036 IPWCWSMWHNEKSN-CTNGQTDRSA-N 421.405 3.217 0 40 HGAB CCS(=O)(=O)[C@@](Cl)(I)[C@@H](O)c1ccc(Cl)cc1 96520115 ZYZLDMNGTFYMIE-UWVGGRQHSA-N 409.072 3.136 0 40 HGAB CC(C)C(=O)N1CCC(C(=O)NC2(c3ccc4c(c3)OCCO4)CCCC2)CC1 97100342 CJXOQNSWEMBWTQ-UHFFFAOYSA-N 400.519 3.238 0 40 HGAB O=C(Oc1ccc2c(c1)OCO2)/C(=C\c1ccco1)n1nnnc1-c1ccccc1 97994293 RWJYHYPAKOAEDI-GZTJUZNOSA-N 402.366 3.266 0 40 HGAB COc1ccc(-c2cc(N3CCN(C(=O)c4ccc(N(C)C)cc4)CC3)[nH]n2)cc1 98212523 WTBWWFVWBQUACE-UHFFFAOYSA-N 405.502 3.114 0 40 HGAB O=C(CC12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)N1CCN(c2ncccn2)CC1 102184786 NXALOCIUTDIODJ-JZFKGDSASA-N 419.367 3.249 0 40 HGAB COc1ccc([C@H](C)NC(=O)CCCN(c2cccc(C)c2)S(C)(=O)=O)cc1 113956555 NYDNYFXOFATAGR-KRWDZBQOSA-N 404.532 3.427 0 40 HGAB CCOc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3cc(C)ccc3C)C2)cc1 139071497 VGTWNUXAHUVSDE-QGZVFWFLSA-N 410.470 3.237 0 40 HGAB CCOc1ccc(CCCNC(=O)c2ccc(NS(C)(=O)=O)cc2Cl)cc1 219286135 IKHTUURTLVWKDM-UHFFFAOYSA-N 410.923 3.473 0 40 HGAB Cc1ccc(S(=O)(=O)N(C)c2ccc(Cl)c(C(=O)NC[C@@H]3CCCO3)c2)cc1 224341342 BXVWSCAHDKEQDI-INIZCTEOSA-N 422.934 3.382 0 40 HGAB CCc1ccc(S(=O)(=O)N2CC[C@@]3(C[C@H]3C(=O)Nc3cccc(F)c3)C2)cc1 253605952 QZQJKKDRPXXYTJ-PZJWPPBQSA-N 402.491 3.428 0 40 HGAB Cc1cc(Nc2cccc(F)c2)cc([C@@H]2CCN(S(=O)(=O)N3CCCC3)C2)n1 257326279 WWOXYNLUAXOTAM-MRXNPFEDSA-N 404.511 3.403 0 40 HGAB Cc1nc(C[C@H]2CCCN(C(=O)c3ccc4ccccc4n3)C2)cc(C(=O)N(C)C)n1 257342045 ZMVHMABUSNUAAX-QGZVFWFLSA-N 417.513 3.130 0 40 HGAB CC[C@H](C(=O)N[C@H](C)c1ccccc1OC)N(c1ccc(F)cc1)S(C)(=O)=O 260808258 HXXMCPNWZJOZSN-RDTXWAMCSA-N 408.495 3.256 0 40 HGAB COc1ccc(CSCC(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)cc1 408577247 XQMMCFWTCMWJLU-GOSISDBHSA-N 414.527 3.476 0 40 HGAB CCCCOC(=O)c1ccc(NC(=O)CN(c2ccccc2)S(C)(=O)=O)cc1 408615458 AISMJYOCZRRYIM-UHFFFAOYSA-N 404.488 3.048 0 40 HGAB CCOc1ccc(S(=O)(=O)Nc2ccc(OC)cc2OC)cc1NC(=O)CC 408697469 JPJLNTPJOTUFKH-UHFFFAOYSA-N 408.476 3.252 0 40 HGAB O=C(CN1CC[C@]2(O)CCCC[C@H]2[C@@H]1c1ccc2c(c1)OCO2)NCc1ccccc1 504517408 OAPSQBRBZODEOZ-KSNOWIBYSA-N 422.525 3.400 0 40 HGAB biogenic c1cncc(Cn2nnnc2C2(NCCc3c[nH]c4ccccc34)CCSCC2)c1 575443936 ZLZKHXKJPDUSCK-UHFFFAOYSA-N 419.558 3.152 0 40 HGAB CC(C)n1nccc1CN1CCC[C@]2(CC1)CN(c1cccc(F)c1)C(=O)CO2 2037988939 OFVXOTRTMULZNS-QFIPXVFZSA-N 400.498 3.391 0 40 HGAB COC(=O)c1ccc([C@H]2C(C(=O)Nc3ccccc3OC)=C(C)Nc3ncnn32)cc1 807888 JJLXTDDOHNWKPP-IBGZPJMESA-N 419.441 3.001 0 40 HGAB CCOC(=O)[C@@](NC(=O)N(C1=NC[C@H](C)S1)c1ccccc1)(OC)C(F)(F)F 2271230 IUXUJAYDTRADHY-MEDUHNTESA-N 419.425 3.162 0 40 HGAB CCOC(=O)C1CCN(Cc2cn3c(-c4ccc(OC)cc4)nnc3s2)CC1 2724092 AZGHKGZODODQFW-UHFFFAOYSA-N 400.504 3.242 0 40 HGAB COC(=O)c1ccc(NCN2C(=O)S/C(=C\c3ccc4c(c3)OCO4)C2=O)cc1 3037599 UXCPZVDOJJIMTC-MFOYZWKCSA-N 412.423 3.308 0 40 HGAB CCOc1ccccc1-n1nnnc1SCC(=O)c1cc(C)n(CCOC)c1C 3542823 TVIUFCFEZYFYOL-UHFFFAOYSA-N 415.519 3.101 0 40 HGAB Cc1ccc2[nH]c(=O)c(CN(CCN(C)C)C(=S)NCc3ccccc3)cc2c1 4133412 WDYQBOUDPIHHHB-UHFFFAOYSA-N 408.571 3.275 0 40 HGAB Cc1cc(Cl)ccc1OCC(=O)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 4183495 YGKFEMUWUIIULE-OAHLLOKOSA-N 413.948 3.305 0 40 HGAB Cc1ccc(N2CCN(S(=O)(=O)C[C@]34CC[C@H](CC3=O)C4(C)C)CC2)cc1Cl 4623929 IQDOZLCPRLZJSR-IIBYNOLFSA-N 424.994 3.496 0 40 HGAB COc1ccc(CCN2C(=O)[C@@H](C(=O)O)[C@@H]3C[C@@]2(C)Oc2ccccc23)cc1OC 4770684 HROGDGHGXBIPPD-NIJIEXERSA-N 411.454 3.072 0 40 HGAB O=C(Nc1ccccc1)O[C@@H]1CO[C@@H]2[C@@H](Nc3nccc(-c4ccccc4)n3)CO[C@H]12 5411956 QYWUKNNGIKYYHL-DOIPELPJSA-N 418.453 3.339 0 40 HGAB biogenic,in-vitro COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCc2ccc(F)cc2)c(OC)c1 5783688 VVHNRKYETKZVPA-IBGZPJMESA-N 400.406 3.214 0 40 HGAB CC[C@H](C)NC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC)cc1 6728365 QKSRXKWCXUJOFY-AWEZNQCLSA-N 410.923 3.459 0 40 HGAB CN(C)c1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccc(F)cc1 6911017 IRBDVEPVJIJYDS-UHFFFAOYSA-N 405.495 3.319 0 40 HGAB CC(=O)c1ccc(N2CCN(C(=O)C[C@@H]3Sc4ccccc4NC3=O)CC2)cc1 6981670 BFQWAORWRRFMIS-FQEVSTJZSA-N 409.511 3.041 0 40 HGAB Cc1ccc(-c2n[nH]c(SCC(=O)N3CCN(c4ccccc4F)CC3)n2)cc1 7341974 WGBYELMJBXLBGW-UHFFFAOYSA-N 411.506 3.360 0 40 HGAB COc1cccc(CN(C)CC(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)c1 7683410 LDRMAFLWYXOKHN-UHFFFAOYSA-N 419.407 3.365 0 40 HGAB C[C@H](C(=O)NCCSc1ccccc1)N(c1cccc(Cl)c1)S(C)(=O)=O 7872100 PBTQHBWEKSHUIB-CQSZACIVSA-N 412.964 3.403 0 40 HGAB COc1ccc(CNC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)cc1 7969494 RQKCJGSEQXJXOG-UHFFFAOYSA-N 422.934 3.453 0 40 HGAB COc1ccc2[nH]cc(CCN[C@H]3CC(=O)N(c4ccc(F)c(Cl)c4)C3=O)c2c1 9482581 MFTJXYFTFZAVEY-IBGZPJMESA-N 415.852 3.433 0 40 HGAB C[C@H](Sc1nnc(COc2ccccc2F)n1N)C(=O)Nc1cccc(Cl)c1 9500577 POXPKKDVAZIGDO-NSHDSACASA-N 421.885 3.483 0 40 HGAB Cc1ccc(Nc2nnc(SCC(=O)NC(=O)NCCCOC(C)C)s2)cc1 9509093 KCTZPEMANPZOIH-UHFFFAOYSA-N 423.564 3.323 0 40 HGAB CCS(=O)(=O)c1ccc(-c2cccc(NC(=O)c3ccc(F)c(F)c3)c2)nn1 9626833 KQUQZFHHMNDROH-UHFFFAOYSA-N 403.410 3.468 0 40 HGAB Cn1c(S)nc2cc(C(=O)NCc3ccc(CN4CCCCC4)cc3)ccc2c1=O 10457053 MZYCOBFANTWZEJ-UHFFFAOYSA-N 422.554 3.138 0 40 HGAB O=C(CCc1ncc(-c2ccccc2)o1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 11412756 CVJJVRDPIHMXNK-UHFFFAOYSA-N 419.481 3.347 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)[C@H]2Cc3ccccc3S2)c1 11748789 KRCJTJFLRWDCQG-GOSISDBHSA-N 406.529 3.078 0 40 HGAB COc1ccc2c(c1)N[C@]1(COC3(CCN(Cc4ccnn4C)CC3)C1)c1cccn1-2 12086193 FGEGYIPEEFAOCO-XMMPIXPASA-N 419.529 3.295 0 40 HGAB CSc1nc(C)c(CCC(=O)Nc2ccc(C(=O)c3nccn3C)cc2)c(C)n1 12550771 ISPPREFCTCMSMS-UHFFFAOYSA-N 409.515 3.351 0 40 HGAB CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)Nn2cnc3ccccc32)cc1 12809176 OCZXXLZQEXREEK-UHFFFAOYSA-N 412.515 3.373 0 40 HGAB CCOC(=O)c1c(C)oc(NC(=O)CSc2nc3ccccc3s2)c1C(N)=O 12821957 FNVSTWVRMCYPNP-UHFFFAOYSA-N 419.484 3.204 0 40 HGAB COc1ccc([C@H]2CCCN2S(=O)(=O)c2ccc(NC(C)=O)cc2)c(OC)c1 13007073 BNVPZRPYQPLDCD-LJQANCHMSA-N 404.488 3.188 0 40 HGAB CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)N(C)Cc1ccc(SC)cc1 13016377 CWYNASLPYMNLSZ-QHCPKHFHSA-N 423.538 3.366 0 40 HGAB Cn1cc(-c2cc(C(=O)N3CCC[C@@H]([C@@H]4CC(=O)c5cc(F)ccc5O4)C3)on2)cn1 13265507 QPAALWRCLYOWMP-XCLFUZPHSA-N 424.432 3.100 0 40 HGAB CCc1nnc2sc(-c3ccc(CNC(=O)COc4ccc(C)cc4)cc3)nn12 13954794 UWAZOEXNAACPJL-UHFFFAOYSA-N 407.499 3.419 0 40 HGAB C[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)NCCc1ccc(Cl)cc1Cl 14201513 ZQUCKEQNFDNPRJ-NSHDSACASA-N 419.305 3.158 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)Cc1ccc(C)cc1 14844618 WVGGKRAIWIVCOU-UHFFFAOYSA-N 402.516 3.359 0 40 HGAB O=C(CCC(=O)c1cccs1)NCCC(=O)OCC(=O)c1ccc(Cl)s1 16046739 YQYKJWWPNPKITH-UHFFFAOYSA-N 413.904 3.358 0 40 HGAB COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)Nc2c(C)cccc2C(C)C)c1 16362237 CRZREGJIFVBWQE-UHFFFAOYSA-N 420.531 3.395 0 40 HGAB COc1ccc(N2CCn3c(SCC(=O)Nc4ccc(C(C)=O)cc4)nnc32)cc1 16890754 KUSVGVOPRQRYHP-UHFFFAOYSA-N 423.498 3.372 0 40 HGAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)OCCCn1c(=O)[nH]c2ccccc21 18747073 RJNOMBOAABQDBD-NRFANRHFSA-N 405.454 3.227 0 40 HGAB CC(=O)Nc1cccc([C@@H]2CN(C(=O)c3ccccc3F)C[C@]23CCCCC(=O)N3)c1 19022879 VBEOBPWOKFCTJM-GBXCKJPGSA-N 423.488 3.453 0 40 HGAB CC(C)c1ncc(CN2CCO[C@H](c3cc(C(=O)N(C)C)c4ccccc4n3)C2)cn1 19762063 PJYWSLWSEBDFNW-QFIPXVFZSA-N 419.529 3.424 0 40 HGAB COCC(=O)N1CCCC[C@@H]1c1ncc(C(=O)Nc2ccc(Cl)cc2)c(C)n1 19764863 OXTFVQBGEOVLLW-QGZVFWFLSA-N 402.882 3.391 0 40 HGAB COC(=O)[C@](NC(=O)c1ccc(C)cc1)(Nc1ccc(Cl)cn1)C(F)(F)F 19944270 SOPFSEBKCSGOCU-MRXNPFEDSA-N 401.772 3.317 0 40 HGAB CC[C@H](NC(=O)CN(c1cccc(C)c1C)S(C)(=O)=O)c1ccc(OC)cc1 22340950 SJKKWQJEBYCVBV-IBGZPJMESA-N 404.532 3.346 0 40 HGAB CCOc1ccccc1NC(=O)CN(c1ccc(OC(C)C)cc1)S(C)(=O)=O 22381162 MNNXWUFWHMQVEE-UHFFFAOYSA-N 406.504 3.277 0 40 HGAB CCOc1ccc([C@@H](c2sc3nc(CC)nn3c2O)N2CCC(O)CC2)cc1 22855217 IHSLNNHCEHAJLU-KRWDZBQOSA-N 402.520 3.004 0 40 HGAB CN(C)[C@H](CNC(=O)[C@@H]1CCCN(C(=O)c2cccs2)C1)c1cccc(F)c1 23081684 MYXRTOYOYHHIIR-SJLPKXTDSA-N 403.523 3.159 0 40 HGAB O=C(NCCc1ccccn1)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 23155577 NMRBEMTTXIWHMS-UHFFFAOYSA-N 421.522 3.196 0 40 HGAB C[C@H](Sc1ccccc1)C(=O)N1CCN([C@H](C(N)=O)c2ccc(Cl)cc2)CC1 24061616 ZCCGNYJPZBVBNN-KXBFYZLASA-N 417.962 3.191 0 40 HGAB COc1ccc(NC(=O)NCCC(=O)OCc2cc(=O)oc3cc(C)ccc23)cc1 24120589 IVSRAIRYZGEJCZ-UHFFFAOYSA-N 410.426 3.365 0 40 HGAB O=C(N[C@H]1CCOc2ccccc21)c1ccc2c(c1)C(=O)N(Cc1ccncc1)C2=O 24646832 FSLKAZOOOCYEGM-FQEVSTJZSA-N 413.433 3.131 0 40 HGAB O=C(OCc1cc(Cl)c2c(c1)OCO2)c1ccc(CN2C(=O)CCC2=O)cc1 25047392 HMOAEFZLLFMFAV-UHFFFAOYSA-N 401.802 3.075 0 40 HGAB COc1ccc([C@@H]2CCCN2CC(=O)NCC(=O)Nc2ccc(F)c(F)c2F)cc1 25415602 KJRDZHYHOLSKGX-KRWDZBQOSA-N 421.419 3.004 0 40 HGAB COC(=O)c1cccc(NC(=O)CSc2nnc(-c3ccccc3F)n2C)c1 25889308 NSAMQPNTMUCGDD-UHFFFAOYSA-N 400.435 3.139 0 40 HGAB CCNc1ccc(C(=O)OCC)cc1NS(=O)(=O)c1ccc2oc(=O)ccc2c1 26540507 KFOZNBYMAMDDSH-UHFFFAOYSA-N 416.455 3.202 0 40 HGAB COc1ccc(Br)cc1S(=O)(=O)n1nc(C)c(Br)c1C 27755572 CHZNEGMAWODAHC-UHFFFAOYSA-N 424.114 3.271 0 40 HGAB C[C@H](NC(=O)Cc1cccc2ccccc12)C(=O)N1CCN(C)C[C@@H]1c1ccccc1 30029401 CZHMCTYIYXQCGY-YADARESESA-N 415.537 3.402 0 40 HGAB Cc1ccc(S(N)(=O)=O)cc1C(=O)N1CCC[C@@H]1c1nc2ccccc2s1 31391910 XRBWVSHKAQKRMY-MRXNPFEDSA-N 401.513 3.229 0 40 HGAB COc1ccc(-c2noc(CCCC(=O)Nc3ccc(C(=O)O)cc3)n2)cc1OC 33000115 PLKGPXQTMBGSDG-UHFFFAOYSA-N 411.414 3.413 0 40 HGAB CCN1C(=O)c2cccc3c(S(=O)(=O)N4CCCC4)cc(Br)c1c23 35686194 LGKVCXZIONFRTK-UHFFFAOYSA-N 409.305 3.367 0 40 HGAB C[C@@H]1C[C@@H](C)CN(Cc2csc(NC(=O)CNC(=O)Cc3cccc(F)c3)n2)C1 40145277 HCUCCDYUPLVMJT-HUUCEWRRSA-N 418.538 3.058 0 40 HGAB O=C(Nc1ccc(-n2cccn2)c(F)c1)[C@H]1CCCN(C(=O)Cc2ccccc2)C1 40151704 UNIWYKRKTLDASP-SFHVURJKSA-N 406.461 3.431 0 40 HGAB COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C(=O)NC2=NCCS2)c1 40160310 ZGNQVVCBCVBPCE-UHFFFAOYSA-N 408.483 3.389 0 40 HGAB COc1ccc(C(=O)N2CC[C@H](c3nnc(-c4ccccc4OC)o3)C2)cc1OC 49170947 IYQVHUOAVNVSIV-HNNXBMFYSA-N 409.442 3.392 0 40 HGAB biogenic,in-vitro COc1ccc(CN(C)C(=O)CCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 52605683 ZVOXMDPDVZUSJQ-UHFFFAOYSA-N 416.543 3.071 0 40 HGAB CCc1ccc(Nc2nc(N)nc(CN3CCN(c4cccc(OC)c4)CC3)n2)cc1 54146921 NMRCLEHOKXDEQG-UHFFFAOYSA-N 419.533 3.091 0 40 HGAB COc1ccccc1N1C[C@H](C(=O)N2CCc3cc(Br)ccc32)CC1=O 60129522 LVGZAFWHIGHAQH-CQSZACIVSA-N 415.287 3.400 0 40 HGAB Cc1cc(NC(=O)c2nccnc2C(=O)NCc2ccc(F)cc2)ccc1N(C)C 60365733 WNNPYKFOEIGOPW-UHFFFAOYSA-N 407.449 3.172 0 40 HGAB CCCNC(=O)c1nnn(-c2cccc3c2CCN(Cc2ccccc2F)C3)c1C 69895160 SMLJIJMLMGBORJ-UHFFFAOYSA-N 407.493 3.413 0 40 HGAB Cc1cc(S(=O)(=O)Nc2ccc([S@](=O)C(F)(F)F)cc2)sc1C(=O)O 72312979 WWPKLAHQDGOYNJ-XMMPIXPASA-N 413.420 3.183 0 40 HGAB COc1nn(C)cc1C(=O)N1CCC[C@H](c2nnc(-c3ccccc3F)s2)C1 77177494 MNHGMRPFOOCVRL-LBPRGKRZSA-N 401.467 3.106 0 40 HGAB CCOC(=O)c1cnn2ccc(NC(=O)COc3cccc4c3OC(C)(C)C4)cc12 90607185 ROTRIIAFYAOSAU-UHFFFAOYSA-N 409.442 3.242 0 40 HGAB Cc1cc(C)nc(NCCCC(=O)N2CCC(O)(c3ccc(Cl)cc3)CC2)n1 95473552 XWHDRMSNAQZUJV-UHFFFAOYSA-N 402.926 3.449 0 40 HGAB COCCN1C[C@@H](c2cc(O)n3nc(-c4ccc(Cl)cc4Cl)cc3n2)CC1=O 100775532 SWEFHCSIIBWTML-NSHDSACASA-N 421.284 3.371 0 40 HGAB COc1ccc(NC(=O)c2cccc(N3C(=O)[C@H]4[C@H]5CC[C@@H](C5)[C@H]4C3=O)c2)c(OC)c1 165718540 NNBWZAFTPWRKHA-MFRYECHYSA-N 420.465 3.492 0 40 HGAB CC(C)Oc1cccc(CCCNC(=O)c2cccc(N(C)S(C)(=O)=O)c2)c1 222419487 ZHSOQEYQSSYBEH-UHFFFAOYSA-N 404.532 3.232 0 40 HGAB COC(=O)c1ccc(Cl)c(S(=O)(=O)n2cc(C(=O)OC)c3ccccc32)c1 222644124 QRCVDNOUYONZIW-UHFFFAOYSA-N 407.831 3.105 0 40 HGAB CC[C@H](C(=O)Nc1nnc(SC)s1)N(c1cccc(Cl)c1)S(C)(=O)=O 223062150 WKKXWPDTECSDPB-LLVKDONJSA-N 420.969 3.097 0 40 HGAB COC(=O)c1cccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCO)o2)c1 223601557 YTGDPDCRLVPKJO-VQTJNVASSA-N 423.494 3.093 0 40 HGAB CC1(C)Cc2cccc(OCC(=O)NCC3CCN([C@H]4CCSC4)CC3)c2O1 225571263 IKNDGAMZNWLFKI-SFHVURJKSA-N 404.576 3.113 0 40 HGAB Cc1ccc(OC[C@H](C)NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1C 225572090 FUVCLYJMTVDHDJ-SFHVURJKSA-N 416.543 3.285 0 40 HGAB O=C(c1cc2n(n1)CCCC2)N1CCN(C(=O)c2cc(Cl)ccc2Cl)CC1 225601251 ZTGVYIZIGRSGDF-UHFFFAOYSA-N 407.301 3.124 0 40 HGAB CC(C)(C)C(=O)N1CCC(Cc2cccc(N3CC4(CCOCC4)OC3=O)n2)CC1 257300258 RTQPWJKDDVEKTI-UHFFFAOYSA-N 415.534 3.415 0 40 HGAB CO[C@H]1CC[C@H](C(=O)N2CCC[C@@H]2c2n[nH]cc2-c2ccnc(N3CCCC3)n2)CC1 257338953 YZOQZTAWFASFFU-MBOZVWFJSA-N 424.549 3.336 0 40 HGAB COc1cccc(-c2cnc3c(N4CCN(Cc5ccncc5)CC4)nccn23)c1 306128919 HOIDXQNXFTZYSJ-UHFFFAOYSA-N 400.486 3.122 0 40 HGAB CC1CCN(S(=O)(=O)c2ccc(O[C@@H](C)C(=O)NC3CCCCC3)cc2)CC1 408610280 OSGFRTWCMGIHSC-KRWDZBQOSA-N 408.564 3.323 0 40 HGAB CCCc1nc(-c2noc(C3CCN(S(=O)(=O)c4ccccc4)CC3)n2)co1 573167034 SSMOPKSVFQLTLL-UHFFFAOYSA-N 402.476 3.245 0 40 HGAB C[C@@H](Oc1ccc2c(c1)OCO2)C(=O)N1Cc2ccccc2[C@H](c2cnn(C)c2)C1 575621281 ZZMJDZBUWHCLAQ-QRWLVFNGSA-N 405.454 3.090 0 40 HGAB CCOC1(c2nc([C@H]3CCCO3)no2)CCN(C(=O)c2c(C)noc2C2CC2)CC1 583615878 IMQRWBYIHYZCNJ-OAHLLOKOSA-N 416.478 3.263 0 40 HGAB COCc1ccc(C(=O)N2CCc3ncc(-c4cccc(NC(C)=O)c4)n3CC2)cc1 585111226 KGCWWMNOKPOJDB-UHFFFAOYSA-N 418.497 3.353 0 40 HGAB NC(=O)CCN(C(=O)Cc1ccc(-n2cccc2)cc1)[C@@H]1CCOc2ccccc21 1526110434 QFHSYZBLILBSEN-OAQYLSRUSA-N 403.482 3.248 0 40 HGAB C[C@](O)(CN1CCc2c(cccc2C(F)(F)F)C1)c1ccc(S(C)(=O)=O)cc1 1560050311 UMYKZTKNXZIRAJ-IBGZPJMESA-N 413.461 3.375 0 40 HGAB O=C([C@H]1CN(c2ncc(Br)cc2C(F)(F)F)CCO1)N1CCCCC1 2086861102 IATPXKXFVLHJNW-CYBMUJFWSA-N 422.245 3.081 0 40 HGAB O=C([C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(F)cc1)N1CCCCCC1 869219 OBSVLXUYRICTAK-NRFANRHFSA-N 416.518 3.344 0 40 HGAB CCC(C)(C)n1nnnc1[C@H](c1cc2ccc(OC)cc2[nH]c1=O)N1CCC(C)CC1 911319 HSSOZBOLGBRERQ-FQEVSTJZSA-N 424.549 3.490 0 40 HGAB Cc1ccccc1CN(c1ccc(C(=O)NCc2ccncc2)cc1)S(C)(=O)=O 983141 BRILRTBVKNOCMZ-UHFFFAOYSA-N 409.511 3.286 0 40 HGAB O=C(c1ccc2c(c1)OCCO2)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 1336825 DDWOKBZLIHAFAA-UHFFFAOYSA-N 421.902 3.395 0 40 HGAB CCCn1c(SCC(=O)Nc2ccccc2C(=O)OC)nnc1-c1cccnc1 1361266 LARKNFQGLFPTPK-UHFFFAOYSA-N 411.487 3.268 0 40 HGAB COc1ccc(CN2CCn3ncc(C(=O)Nc4cc(C)cc(C)c4)c3C2=O)cc1 1386375 YHKJWEUMEXOONC-UHFFFAOYSA-N 404.470 3.417 0 40 HGAB COc1ccccc1NC(=O)c1nn(-c2ccc(OC(F)(F)F)cc2)ccc1=O 1394389 LEASBTHLKYODHM-UHFFFAOYSA-N 405.332 3.392 0 40 HGAB aggregator COc1ccc(OC)c(NC(=O)C2=C(C)Nc3ncnn3[C@@H]2c2ccccc2F)c1 2438503 JYQLYZOXTGVTPW-LJQANCHMSA-N 409.421 3.362 0 40 HGAB Cc1[nH]c2ccccc2c1C(=O)COC(=O)c1ccc2c(=O)n3c(nc2c1)CCC3 2652215 URYJHSBUHHRTGA-UHFFFAOYSA-N 401.422 3.172 0 40 HGAB Cc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 3207405 QXYCBGZOHDHZGJ-UHFFFAOYSA-N 416.528 3.039 0 40 HGAB COc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2ccccc2OC)n1N 3283349 CDRKDZDIZODNQM-UHFFFAOYSA-N 419.894 3.060 0 40 HGAB CCS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1ccc(Br)cc1 3323921 IOIDKXGTJSPXBL-QGZVFWFLSA-N 423.332 3.164 0 40 HGAB CN(CC(=O)Nc1ccc2c(c1)CCC2)CC(=O)Nc1ccccc1Br 3409442 CPJULLQRQVALLN-UHFFFAOYSA-N 416.319 3.447 0 40 HGAB CC1(C)C(=O)Nc2ccccc2N1C(=O)CSc1nc(-c2ccccc2)cn1N 4251963 MTWGNBQNRGJOTM-UHFFFAOYSA-N 407.499 3.120 0 40 HGAB COCC(=O)N1c2ncnn2[C@@H](c2ccccc2OC)C[C@@H]1c1ccc(OC)cc1 4816994 VJHXOQCTLPFANZ-RTBURBONSA-N 408.458 3.009 0 40 HGAB COCCN(C(=O)c1csnn1)[C@@H](C(=O)NC1CCCC1)c1ccc(Cl)cc1 4890302 HAZZYTFFWHTRPQ-QGZVFWFLSA-N 422.938 3.080 0 40 HGAB CCCc1nnc(NC(=O)CCC(=O)N2CCN(c3cc(C)ccc3C)CC2)s1 5219665 BUANSYRTJAUHOQ-UHFFFAOYSA-N 415.563 3.175 0 40 HGAB Cc1c(CC(=O)NCCC(=O)O)c(=O)oc2cc3c(cc12)CCC1(CCCCC1)O3 6760833 LVHAKWTZMOWRBI-UHFFFAOYSA-N 413.470 3.263 0 40 HGAB CCOc1ccc(S(=O)(=O)N(CC(=O)NCCC(C)C)c2ccccc2)cc1 6963583 CXLPDIUFGAJKOZ-UHFFFAOYSA-N 404.532 3.443 0 40 HGAB COc1ccc(Cl)cc1NC(=O)[C@@H](C)OC(=O)CCn1c(=O)oc2ccccc21 7621154 LYLIRCXJGZABJW-GFCCVEGCSA-N 418.833 3.217 0 40 HGAB COC(=O)c1ccc(NC(=O)CCCC(=O)OCC(=O)Nc2ccc(C)cc2)cc1 8417556 FTJHQTIZOHCHSI-UHFFFAOYSA-N 412.442 3.072 0 40 HGAB CCOCCCNS(=O)(=O)c1ccc(NC(=O)c2cccc(Cl)c2)c(F)c1 8810289 HUNIJMXYYUZSET-UHFFFAOYSA-N 414.886 3.436 0 40 HGAB O=C(N[C@@]1(C(F)(F)F)N=C(O)N(Cc2ccccc2Cl)C1=O)c1ccccc1 8969865 NMNUSQRCRDZBKG-QGZVFWFLSA-N 411.767 3.285 0 40 HGAB Cc1cccc(OCc2nnc(SCC(=O)c3cc(C)n(-c4nnc[nH]4)c3C)o2)c1 9336604 ZJEUURVQZZFLRW-UHFFFAOYSA-N 424.486 3.458 0 40 HGAB C[C@@H](Sc1nnc(COc2ccccc2F)n1N)C(=O)Nc1cccc(Cl)c1 9500579 POXPKKDVAZIGDO-LLVKDONJSA-N 421.885 3.483 0 40 HGAB COc1ccc(C(=O)OCC(=O)c2ccc(F)cc2)cc1I 9553994 AATRKLIKYUBSHN-UHFFFAOYSA-N 414.170 3.479 0 40 HGAB CC(C)(C)C1CCC(C(=O)NCc2ccccc2S(=O)(=O)N2CCOCC2)CC1 11368322 PWOCGFLGYRYXKC-UHFFFAOYSA-N 422.591 3.176 0 40 HGAB COc1ccc(S(=O)(=O)Nc2nc(C(=O)NCc3ccc(F)cc3)cs2)cc1 11693235 ZLLADAQQANGQAT-UHFFFAOYSA-N 421.475 3.022 0 40 HGAB COc1ccc(CN(Cc2ccc(CN3CCOCC3)o2)C[C@H]2CCCO2)cc1 12187527 ZBQNCGQRMXBDFC-OAQYLSRUSA-N 400.519 3.302 0 40 HGAB CC(=O)NCc1ccc(-c2csc(NC(=O)CNC(=O)c3cccc(C)c3)n2)cc1 12388099 HDRQOHNOLQZYKT-UHFFFAOYSA-N 422.510 3.123 0 40 HGAB CCCCNc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C1CCCC1 12522562 PQXSWCPKJHGQSU-UHFFFAOYSA-N 409.552 3.048 0 40 HGAB CC(C)(C)c1cc(NC(=O)CN2CCN(c3ccccn3)CC2)n(-c2ccccc2)n1 12695802 SFXZVNVMMXMLHI-UHFFFAOYSA-N 418.545 3.326 0 40 HGAB CCN(CC)C(=O)c1cccc(NC(=O)[C@H](NC(=O)Cc2ccccc2)C(C)C)c1 12780587 XQIUCEFRIVTSIX-JOCHJYFZSA-N 409.530 3.491 0 40 HGAB COc1cccc(NC(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1 12926991 PXSSLTNJFFRCEZ-UHFFFAOYSA-N 402.516 3.441 0 40 HGAB COc1cc(CCC(=O)C[C@@H](O)CCc2cc(OC)c(O)c(OC)c2)ccc1O 13377925 CAQJIHGGUCTKHW-KRWDZBQOSA-N 404.459 3.009 0 40 HGAB biogenic O=C(NCCc1cccs1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 14629551 ZVFWPMMHZGJHJL-UHFFFAOYSA-N 412.964 3.161 0 40 HGAB CCOc1ccccc1C(=O)NCCCC(=O)Nc1ccccc1N1CCCC1=O 16106061 AOTLLNAYQYFEQD-UHFFFAOYSA-N 409.486 3.361 0 40 HGAB CCOc1cc(CNC)c(Br)cc1OCC(=O)NCCc1ccccc1 16688168 IKDDNMPDNRULAA-UHFFFAOYSA-N 421.335 3.305 0 40 HGAB COc1cc(C(=O)OCc2nnnn2-c2ccccc2)cc(Cl)c1OC(C)C 17739658 ICFLYBXPLPTXAT-UHFFFAOYSA-N 402.838 3.469 0 40 HGAB COc1ccc(OC)c(CC(=O)N2CCC(c3[nH]ncc3-c3cc(C)no3)CC2)c1 19121582 CTTBYGTZXZDMNW-UHFFFAOYSA-N 410.474 3.339 0 40 HGAB O=C(c1cc([C@@H]2CCCN(Cc3ccc4ncccc4c3)C2)no1)N1CCC(O)CC1 19347015 BDYHQQRBDOEVHN-LJQANCHMSA-N 420.513 3.199 0 40 HGAB Cc1nn(C)cc1C(=O)N1CCC[C@H](c2nc(N(C)C)ncc2-c2ccc(F)cc2)C1 19694066 DIFVXCBYWMSZQJ-KRWDZBQOSA-N 422.508 3.410 0 40 HGAB CCNC(=O)C1(Cc2cccc(-c3cncnc3)c2)CCN(C(=O)C2CCC2)CC1 19700346 LVNAMZCPHADDQT-UHFFFAOYSA-N 406.530 3.231 0 40 HGAB COc1ccc(CC(=O)N2CCC[C@H]2c2ncc(C(=O)N3CCCCC3)c(C)n2)cc1 19756129 SRJMIRKUOZRNAV-NRFANRHFSA-N 422.529 3.326 0 40 HGAB COc1ccc([C@H](C)NS(=O)(=O)c2ccc(N3CCCC3=O)c(C)c2)cc1OC 20452843 QIAWFIPXOFZUNS-HNNXBMFYSA-N 418.515 3.179 0 40 HGAB Cc1ccc(C)c(NC(=O)[C@@H](OC(=O)CN(C)c2ncccn2)c2ccccc2)c1 23173374 QAYKFBINMLOXBC-NRFANRHFSA-N 404.470 3.453 0 40 HGAB CSc1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1C(=O)N1CCOCC1 26116967 GUKKKATXBSEKEI-UHFFFAOYSA-N 420.556 3.299 0 40 HGAB COC(=O)[C@@H](c1ccccc1Cl)N1CCN(Cc2ccc3c(c2)OCO3)CC1 26160627 KXHUCKKOMRTTQZ-HXUWFJFHSA-N 402.878 3.101 0 40 HGAB Cc1ccc([C@@H](CN2CCOCC2)NC(=O)c2cnn(-c3ccccc3)c2C)cc1 27144029 HWNCNKZJTBODHN-HSZRJFAPSA-N 404.514 3.292 0 40 HGAB Fc1cccc(Nc2nc(Nc3ccc4c(c3)OCO4)nc(N3CCOCC3)n2)c1 27546350 IQHGFXGPEKXXCL-UHFFFAOYSA-N 410.409 3.063 0 40 HGAB Cc1ccc(CN2C[C@H](C(=O)OCC(=O)Nc3cc(Cl)ccc3C)CC2=O)cc1 28609445 KWJFHWWNDLUNRP-QGZVFWFLSA-N 414.889 3.487 0 40 HGAB O=C(N1CCN(c2ccc(C(F)(F)F)cn2)CC1)C1(c2ccccc2)CCOCC1 32684928 RCERVKZMXNGNPI-UHFFFAOYSA-N 419.447 3.497 0 40 HGAB O=C1c2cc(Cl)c(Cl)cc2C(=O)N1CN(C[C@@H]1CCCO1)C[C@@H]1CCCO1 32935451 YQSNHOHNOANYNJ-STQMWFEESA-N 413.301 3.207 0 40 HGAB C[C@@]1(c2cccc(NC(=O)c3ccc(C4SCCS4)cc3)c2)NC(=O)NC1=O 40110845 XBONTYCPOGSCIG-FQEVSTJZSA-N 413.524 3.472 0 40 HGAB COC(=O)CN(Cc1ccccc1Cl)CN1C(=O)NC2(C1=O)[C@H](C)CCC[C@H]2C 40158193 NZSCTYJQYIHIPD-HUUCEWRRSA-N 421.925 3.019 0 40 HGAB COc1ccc(-c2nnc3sc(NC(=O)COc4cccc(C)c4C)nn23)cc1 41076466 LTBKKLPABJTYBI-UHFFFAOYSA-N 409.471 3.496 0 40 HGAB COCc1ccccc1NS(=O)(=O)c1ccc(Br)c(C(=O)O)c1 42792560 TYYPCAKQHKEEAO-UHFFFAOYSA-N 400.250 3.095 0 40 HGAB C[C@H]1C[C@H](C)CN(Cc2ccc(CNC(=O)c3ccc4c(c3)OCC(=O)N4)cc2)C1 48311031 CLNKFAHVJIVXIL-IRXDYDNUSA-N 407.514 3.425 0 40 HGAB O=C(NC1CCN(Cc2ccccc2)CC1)c1csc(NC[C@@H]2CCCO2)n1 71286033 KADUGNOZAIBAQT-SFHVURJKSA-N 400.548 3.128 0 40 HGAB CSc1cccc(NC(=O)[C@@H](C)NC(=O)N2CCN(c3ccc(F)cc3)CC2)c1 71334603 CHCVBKLHIJCLPP-OAHLLOKOSA-N 416.522 3.406 0 40 HGAB COc1cccc(CN(C)C(=O)c2cc(S(C)(=O)=O)ccc2Br)c1 72270974 ZNBKREHFDWFQIW-UHFFFAOYSA-N 412.305 3.133 0 40 HGAB CC[C@H](C(=O)N1CC(c2nc(-c3cccc(C(=O)NC)c3)no2)C1)c1ccccc1 77191171 KRGRZCNYSMQMLQ-IBGZPJMESA-N 404.470 3.216 0 40 HGAB Cc1ccc(SCC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c(C)c1 89614488 HFJWFFWCMSZSJI-UHFFFAOYSA-N 422.547 3.068 0 40 HGAB COC(=O)c1ccc2c(c1)N(C(=O)COc1ccc(Cl)c(Cl)c1)CC(=O)N2 96011139 ZLQLMVSLCOOLEC-UHFFFAOYSA-N 409.225 3.144 0 40 HGAB CC(=O)N(c1ccccc1)c1nc(/C=C2/SC(=S)N(CC(=O)O)C2=O)cs1 96663510 BSMDHGZTYQWQQE-NTUHNPAUSA-N 419.509 3.114 0 40 HGAB COc1ccc(OCC(=O)N2CCC[C@@H]2c2nc(-c3ccc(OC)cc3)no2)cc1 98212238 ATQGWYRACPTUOS-LJQANCHMSA-N 409.442 3.496 0 40 HGAB CC1(C)[C@@H]2CC[C@]1(C)C(=O)N(CCCCN1CCN(Cc3ccccc3)CC1)C2=O 100720562 XTGMLDFXCZWGIX-PXDATVDWSA-N 411.590 3.396 0 40 HGAB CCCCOc1ccc(NC(=O)[C@@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@@H]32)cc1 102424581 BCTINLARZZWKRE-WRMBXCAGSA-N 421.490 3.201 0 40 HGAB COc1ccc([C@@H]2N(C(=O)N(C)C)[C@@H](C)CN2S(=O)(=O)c2ccc(C)cc2)cc1 102947269 UXBFTYQTKXXWIO-JXFKEZNVSA-N 417.531 3.079 0 40 HGAB CSc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H]3C[C@H]4CC[C@H]3C4)CC2)cc1 102949255 CRDJUNBIVMWBBZ-URLQWDBASA-N 408.589 3.114 0 40 HGAB C[C@@H](NS(=O)(=O)c1ccc(NC(=O)COCC2CC2)cc1)[C@@H]1C[C@H]2CC[C@H]1C2 105654449 HOMOCRDMARHTQH-FKKBTLCVSA-N 406.548 3.155 0 40 HGAB COc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2cc(C)ccc2OC)CC1 107650001 OOZZZLICVDMZHF-UHFFFAOYSA-N 418.515 3.052 0 40 HGAB CCOc1cccc(CNC(=O)[C@@H](C)N(c2cc(C)cc(C)c2)S(C)(=O)=O)c1 216312527 LVWLBGLTSVEDPC-QGZVFWFLSA-N 404.532 3.173 0 40 HGAB CCOc1ccc(C(=O)Nc2cc(S(=O)(=O)NC(C)C)ccc2OC)cc1C 222883001 MQQVXFZMNXMPRH-UHFFFAOYSA-N 406.504 3.341 0 40 HGAB O=C(NCCO)[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)CCc1ccccc1 223355764 BBKMRKHGIFBPRA-VWLOTQADSA-N 416.521 3.498 0 40 HGAB CC(C)(C)c1ccccc1OCCNC(=O)CN(c1ccccc1F)S(C)(=O)=O 223679585 WMGZFPFYLYUJLM-UHFFFAOYSA-N 422.522 3.084 0 40 HGAB COC(=O)c1ccc(C)c(S(=O)(=O)Nc2cc(C(=O)OC(C)C)ccc2OC)c1 223839878 VNULYDFVBJDXJB-UHFFFAOYSA-N 421.471 3.156 0 40 HGAB COc1ccc(/C=C/C(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)c(OC)c1OC 223840965 OANZTVVIBJJIIV-KADHNRKRSA-N 419.499 3.007 0 40 HGAB CC[C@@H](C(=O)NCCOc1ccc(C)cc1C)N(c1ccc(C)cc1)S(C)(=O)=O 224304833 VMRDXWDNALZIET-FQEVSTJZSA-N 418.559 3.352 0 40 HGAB CC[C@H](C(=O)NCCOc1cccc(C)c1)N(c1ccc(Cl)cc1)S(C)(=O)=O 224306663 CVAFUURFYBSCGJ-LJQANCHMSA-N 424.950 3.388 0 40 HGAB CC[C@H](NC(=O)CN(c1ccccc1OC)S(C)(=O)=O)c1ccc(OC)c(C)c1 224518958 QWVVCHWZSBAEBJ-KRWDZBQOSA-N 420.531 3.046 0 40 HGAB CCCNC(=O)c1ccc(OCC)c(CN(c2ccc(F)cc2)S(C)(=O)=O)c1 224798028 IAIPDBURJDXXAG-UHFFFAOYSA-N 408.495 3.330 0 40 HGAB COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccco2)cc1 225204227 VCGVEQFGILOVMH-UXHICEINSA-N 408.483 3.437 0 40 HGAB C[C@H]1CCCN(c2cc(C(F)(F)F)nc(NC(=S)NC[C@@H]3CCCO3)n2)C1 225910036 YPUAQZIYIREOCA-RYUDHWBXSA-N 403.474 3.197 0 40 HGAB CC(C)(C)OC(=O)N1[C@@H](CNC(=O)c2cccnc2)C[C@@]2(C)[C@@H](O)CCCC[C@@H]12 257264180 LTFZYTCIUHCAOG-QSNWEANLSA-N 403.523 3.131 0 40 HGAB O=C(c1ccccc1CN1CCCC1)N1CCOC[C@H](Cc2cccn3nccc23)C1 257338817 YZBJZTLKFJUNTN-HXUWFJFHSA-N 418.541 3.261 0 40 HGAB Cc1nc(C(=O)N2CC[C@]3(C2)CN(C(=O)c2ccsc2)c2cccnc23)cs1 306131006 JUODHKCFJIXGFN-FQEVSTJZSA-N 410.524 3.352 0 40 HGAB Cc1cccc(CN2C[C@H]3Cn4c(nnc4C(=O)Nc4cccc(F)c4)C[C@H]3C2)c1 306137982 RLSKDMIMTGFOEC-ROUUACIJSA-N 405.477 3.282 0 40 HGAB Cc1cnc(C(=O)N2Cc3ccccc3[C@@H](c3nccn3Cc3cccnc3)C2)cn1 306142347 WWMYNIZFMPIHHB-NRFANRHFSA-N 410.481 3.213 0 40 HGAB CC[C@@H](C)NC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(OC)c(C)c1 408533121 PWEQKJQKQDPFHU-GOSISDBHSA-N 418.559 3.152 0 40 HGAB CCOCCCNS(=O)(=O)c1ccc(OCC)c(NC(=O)c2ccccc2)c1 408562054 XLHPLCKYOJUKJJ-UHFFFAOYSA-N 406.504 3.043 0 40 HGAB CNC(=O)C(=O)Nn1c(C(=O)Nc2cccc(Cl)c2)cc2cc(Cl)ccc21 408611346 VXIFSYWNAVJLQF-UHFFFAOYSA-N 405.241 3.017 0 40 HGAB CCCNC(=O)COc1ccc(S(=O)(=O)Nc2ccc(OC)cc2)cc1Cl 408635698 HKOFZJHIMWGUMC-UHFFFAOYSA-N 412.895 3.054 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1ccc(F)cc1F 408702252 MCJKDPUMKFQQPU-UHFFFAOYSA-N 410.442 3.400 0 40 HGAB COCCn1c(CCc2ccccc2)nnc1SCC(=O)NCc1ccc(C)cc1 409198905 AFFDVXYQMDNYMD-UHFFFAOYSA-N 424.570 3.427 0 40 HGAB COc1ccccc1OCc1nnc(SCC(=O)N[C@@H](C)c2ccccc2)n1C 409347870 NFPPSUZPJXKCPM-HNNXBMFYSA-N 412.515 3.372 0 40 HGAB CN1C(=O)c2cc(C(F)(F)F)ccc2O[C@H]2CN(Cc3ccc4c(c3)OCO4)C[C@H]21 514288576 BUNSNARGKDSKLL-BEFAXECRSA-N 420.387 3.152 0 40 HGAB biogenic,in-vitro CCC(CC)C(=O)N1CC[C@@H](CC(=O)O)[C@@H](Cc2nc3cccc(OC)c3[nH]2)C1 514289102 OQLPILAUVGQRJS-HOTGVXAUSA-N 401.507 3.490 0 40 HGAB biogenic,in-vitro CC(C)n1cnnc1[C@@H]1CCCN(S(=O)(=O)c2sccc2Br)C1 540477645 TZYIAGKMTJCLHK-LLVKDONJSA-N 419.370 3.251 0 40 HGAB Cc1cc(C)cc(S(=O)(=O)N2CC3(C[C@@H](OCc4ccccn4)CS3)C2)c1 575405011 QCJOHOYWOJMINF-GOSISDBHSA-N 404.557 3.164 0 40 HGAB COc1ccc([C@@H]2C3=C(CN(C(C)=O)C3=O)Nc3cccc4[nH]cc2c34)cc1OC 1547138993 YAXYDYGSJHGBEQ-FQEVSTJZSA-N 403.438 3.385 0 40 HGAB biogenic O=S(=O)(NC[C@H](O)c1ccc(-c2ccco2)o1)c1ccccc1Br 1775965623 GXLKGWLGOTUATE-LBPRGKRZSA-N 412.261 3.314 0 40 HGAB CCN1CCN(C(=O)c2ncc[nH]2)C[C@H](Cc2ccc(-c3ccccc3F)cc2)C1=O 1848354146 SNSSZVCDEVETMI-IBGZPJMESA-N 420.488 3.379 0 40 HGAB Cc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)NCc2ccccc2)cc1 921481 KLVWYSYWAUMDOS-HSZRJFAPSA-N 420.534 3.427 0 40 HGAB O=C(CSc1nc2ccccc2c(=O)n1C[C@H]1CCCO1)Nc1ccc(F)cc1 933492 GILGGYIQZGPUFD-MRXNPFEDSA-N 413.474 3.445 0 40 HGAB O=C1c2ccccc2C(=O)N1CCSc1ncnc2c1cnn2-c1ccccc1 942665 LPYQFZLQWQRKQQ-UHFFFAOYSA-N 401.451 3.204 0 40 HGAB CC(C)N(Cc1ccccc1)C(=O)CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O 3346206 DDGQMDJECWGOAN-OAQYLSRUSA-N 418.497 3.068 0 40 HGAB CS(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)cc1 3359779 OTNVBCIAUUSBCT-UHFFFAOYSA-N 402.453 3.195 0 40 HGAB C[C@@H]1Cc2nc(SCC(=O)Nc3nc4ccccc4s3)n(C)c(=O)c2S1 4107749 KBBRRKHUUMDJSM-SECBINFHSA-N 404.542 3.158 0 40 HGAB aggregator COCCn1c(SCC(=O)NCc2ccccc2)nnc1-c1c[nH]c2ccccc12 4138661 WKWRQJJEPMKPQS-UHFFFAOYSA-N 421.526 3.481 0 40 HGAB CC(C)(C)NC(=O)[C@@H](c1ccccc1F)N(C(=O)Cn1nnc2ccccc21)C1CC1 4240176 LUNSYPUKTCDMRF-OAQYLSRUSA-N 423.492 3.217 0 40 HGAB Cc1cn2c3c(=O)n(CC(C)C)c(=O)n(C)c3nc2n1-c1ccc(C(F)(F)F)cc1 4370453 GKSSPCTZFZXLIZ-UHFFFAOYSA-N 419.407 3.122 0 40 HGAB C[C@H]1CCN(C(=O)COC(=O)c2ccccc2NCCO)c2ccccc2S1 5278072 YMOPYWQVZJZISH-HNNXBMFYSA-N 400.500 3.165 0 40 HGAB C[C@H](Sc1nnc(-c2ccco2)n1C)C(=O)Nc1ccc(N2CCOCC2)cc1 5363998 CNUDXNWBWHCTAU-AWEZNQCLSA-N 413.503 3.031 0 40 HGAB O=C(CNC(=O)C12CC3CC(CC(C3)C1)C2)N1CCN(c2cccc(Cl)c2)CC1 5692499 DMBXSFMZXXTQMT-UHFFFAOYSA-N 415.965 3.321 0 40 HGAB Cc1nc2sccn2c(=O)c1S(=O)(=O)Nc1ccc(N2CCC(C)CC2)cc1 6784659 AUIMBDDOJXVVHA-UHFFFAOYSA-N 418.544 3.102 0 40 HGAB CCC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2)cc1 6945406 YMGDFVDKBXKBHD-SJORKVTESA-N 404.532 3.410 0 40 HGAB C[C@H](c1ccccc1)N1C[C@@H](C(=O)OCC(=O)Nc2ccc(Cl)cc2)CC1=O 7232479 XDXSOMBSAOKGRJ-ZBFHGGJFSA-N 400.862 3.431 0 40 HGAB COc1cccc(C(=O)OCCCOC(=O)c2cccc(OC)c2OC)c1OC 7442446 HFTXOVWKPNXDKX-UHFFFAOYSA-N 404.415 3.125 0 40 HGAB Cc1ccccc1-n1nnnc1SCC(=O)Nc1ccc(CN2CCCC2)cc1 7480001 BJGVLARTYHZDOH-UHFFFAOYSA-N 408.531 3.297 0 40 HGAB COCCN(CC(=O)Nc1cccc(C)c1C)C(=O)/C=C/c1ccc2c(c1)OCCO2 7979345 RASOYHBIOCIQIO-CSKARUKUSA-N 424.497 3.202 0 40 HGAB O=C(CN1CCC(C(=O)Nc2ccccc2)CC1)Nc1ccc(N2CCCC2=O)cc1 8004460 XHWUJDOXHBJTEU-UHFFFAOYSA-N 420.513 3.103 0 40 HGAB CCOc1ccccc1NC(=O)COC(=O)[C@H]1CC(=O)N(c2cc(C)cc(C)c2)C1 8038143 BHYBXVOYAYFTEN-KRWDZBQOSA-N 410.470 3.237 0 40 HGAB O=C(COc1cccc(C(=O)NCc2ccccc2)c1)Nc1ccc2c(c1)OCCO2 8121315 WDVBNKNFYNMAOH-UHFFFAOYSA-N 418.449 3.405 0 40 HGAB O=C([C@H]1CN(C(=O)c2ccc(-n3cccn3)cc2)c2ccccc2O1)N1CCCCC1 8265304 LIEVDFSVXAIFOW-JOCHJYFZSA-N 416.481 3.293 0 40 HGAB COc1ccc(CCS(=O)(=O)Nc2ccc3c(c2)N(C)C(=O)C(C)(C)CO3)cc1 9170392 KSFGYOSJOVZUSU-UHFFFAOYSA-N 418.515 3.061 0 40 HGAB CS(=O)(=O)c1ccc(-c2nnc(NC(=O)c3ccc(Br)cc3)o2)cc1 9346743 NBAGYFFKWURVBW-UHFFFAOYSA-N 422.260 3.155 0 40 HGAB COc1ccc(OCc2nnc3n2N=C(c2cccs2)[C@H](CC(=O)O)S3)cc1 9578617 MVCXCDOTENGGBT-AWEZNQCLSA-N 416.484 3.129 0 40 HGAB CC[C@@H](C)n1c(C)c(C)n2c3c(=O)n(Cc4ccccc4Cl)c(=O)n(C)c3nc12 10104242 FIPCJNOZJFGINY-GFCCVEGCSA-N 413.909 3.439 0 40 HGAB COC[C@H](C)NC(=O)c1ccc(CN(c2cccc(Cl)c2)S(C)(=O)=O)cc1 10356881 GPXZOMRAGKNCMA-AWEZNQCLSA-N 410.923 3.071 0 40 HGAB COc1ccc(N([C@H](C)C(=O)N2CCc3ccccc3C2)S(C)(=O)=O)cc1Cl 10544408 LOPZAMFCAZNZDP-CQSZACIVSA-N 422.934 3.088 0 40 HGAB COc1cccc(CNC(=O)CSc2ccc(NC(=O)c3cccs3)nn2)c1 11739504 SPNCFMUQPXZYNQ-UHFFFAOYSA-N 414.512 3.208 0 40 HGAB COc1ccc(NC(=O)CSc2ncnc3c2nnn3Cc2ccccc2F)cc1 11758526 YGLZIFPJFSSGPN-UHFFFAOYSA-N 424.461 3.148 0 40 HGAB CCc1nc2ccccc2n1[C@H](C)C(=O)N1CCC2(CC1)NC(=O)c1ccccc1N2 12116289 WOAMOOJPVFSDOL-MRXNPFEDSA-N 417.513 3.334 0 40 HGAB Cn1c(=O)n(C)c2cc(CN3Cc4ccccc4OC4(CCC(CO)CC4)C3)ccc21 12122598 DZHBZKIGKXAQFT-UHFFFAOYSA-N 421.541 3.193 0 40 HGAB CCCc1ncc(CN2CCC[C@H]([C@@H]3CN(C(C)=O)Cc4ccccc4O3)C2)cn1 12235575 WARHGDVHAMOJPZ-REWPJTCUSA-N 408.546 3.451 0 40 HGAB CC[C@@H]1Oc2ccc(C(=O)c3ccco3)cc2N(CC(=O)N2CCC(C)CC2)C1=O 12241935 BLCJSXQOEGOWMA-SFHVURJKSA-N 410.470 3.273 0 40 HGAB COc1ccc(NC(=O)Cn2cnc3c(sc4ncccc43)c2=O)cc1Cl 12415175 AXWXFZCRVCHZSO-UHFFFAOYSA-N 400.847 3.307 0 40 HGAB CC(=O)N1CCN(C(=O)c2cc3c(C)nn(Cc4ccccc4Cl)c3s2)CC1 12460447 FTXUUMZJGAKFHS-UHFFFAOYSA-N 416.934 3.412 0 40 HGAB CCNc1ccc(S(=O)(=O)N(C)C)cc1NCc1cn2cc(Cl)ccc2n1 12507686 WBYOLZJWVIRMMB-UHFFFAOYSA-N 407.927 3.282 0 40 HGAB Cc1ccc(-n2c(C)nn(CN(CC(C)C)[C@H]3CCS(=O)(=O)C3)c2=S)cc1 12514915 WTTWTJVDXGJDCY-SFHVURJKSA-N 408.593 3.123 0 40 HGAB Cc1nn(-c2ccccc2)c(C)c1C(=O)NC[C@H](c1cccs1)N1CCOCC1 12783652 JIGFQUHWPQBSMB-LJQANCHMSA-N 410.543 3.354 0 40 HGAB COc1ccc(CN2CCN(C(=O)CCC(=O)c3ccc(F)cc3)CC2)cc1F 12896273 VXNPUBITGCRKHZ-UHFFFAOYSA-N 402.441 3.281 0 40 HGAB NS(=O)(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(C2CCCCC2)cc1 12922589 YIETYNSLPMNQEK-UHFFFAOYSA-N 420.556 3.133 0 40 HGAB O=C(Cn1cnc2sccc2c1=O)Nc1cccc(-c2nnc3n2CCCCC3)c1 13114622 IJYTWRIHHOWTOI-UHFFFAOYSA-N 420.498 3.082 0 40 HGAB CCOC(=O)[C@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OCC)[C@@H]1c1ccc(C(C)(C)C)cc1 13564200 WQOSIFNKORDPQG-XQQXVUDOSA-N 404.503 3.150 0 40 HGAB CC[C@@H](C(=O)NCCc1ccc(OC)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O 13712195 XXKFNFPSZOHISQ-IBGZPJMESA-N 424.950 3.252 0 40 HGAB O=C(COc1cccc(C(F)(F)F)c1)NCCCn1nc(-c2ccco2)ccc1=O 13802449 NSFCJLOTYABWLP-UHFFFAOYSA-N 421.375 3.107 0 40 HGAB CC(C)CC[C@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 14201858 DFAFDLXDGLEZOK-AWEZNQCLSA-N 402.507 3.306 0 40 HGAB O[C@@H](COc1ccccc1)CN1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 14202080 QBTSBPNCTALIGG-OAHLLOKOSA-N 415.843 3.316 0 40 HGAB CC(=O)c1ccc(NC(=O)c2ccc(N3C(=O)[C@H](C)CS3(=O)=O)cc2Cl)cc1 15858451 UALUQFPFLGNMFA-LLVKDONJSA-N 420.874 3.107 0 40 HGAB Cc1cccc(C)c1NC(=O)CSc1nnc2nc(O)c(Cc3ccccc3)nn12 15882050 MWZOLEQEQAUOIE-UHFFFAOYSA-N 420.498 3.163 0 40 HGAB CN1C(=O)[C@]2(c3ccccc31)c1c(oc3ccccc3c1=O)C(=O)N2Cc1ccco1 16742178 CTZWYCCDCNVMDW-DEOSSOPVSA-N 412.401 3.262 0 40 HGAB COc1cccc(N2CCN(C(=S)Nc3cc(OC)c(OC)c(OC)c3)CC2)c1 17091155 ZQLDJALQDMATOV-UHFFFAOYSA-N 417.531 3.240 0 40 HGAB O=C(Cc1ccccc1)N[C@@H](c1ccccn1)[C@H]1CCCN(C(=O)c2cnsc2)C1 19370345 MKEIJQNMPZBSBF-PGRDOPGGSA-N 420.538 3.491 0 40 HGAB CCCc1cc(C(=O)N2CCC[C@H]2c2nc(N(C)C)ncc2-c2cc(C)no2)no1 19525322 MEEUMSKKDYKBMJ-KRWDZBQOSA-N 410.478 3.424 0 40 HGAB COc1ccc(C)cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(F)c(F)c2)C1 20016988 WWSANDAZGDYGAQ-CQSZACIVSA-N 424.469 3.321 0 40 HGAB COc1ccc([C@H]2Nn3c(C)nnc3S[C@H]2C(=O)N2CCCCC2)cc1Cl 20068920 WTTPYBWMNHBMQL-HZPDHXFCSA-N 407.927 3.020 0 40 HGAB Cc1ccc(OC[C@@H](C)NC(=O)CN(c2ccc(Cl)cc2C)S(C)(=O)=O)cc1 22336694 AQSZBNWNYWWFSG-MRXNPFEDSA-N 424.950 3.307 0 40 HGAB Cc1ccc([C@@H](O)CN2CCN([C@H](c3ccccc3)c3nccn3C)CC2)c(C)c1 22887487 NXLLLTKHHCAZIL-BJKOFHAPSA-N 404.558 3.478 0 40 HGAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N2CCN(Cc3ccsc3)CC2)c1C 23257583 YCQJKVSGSZEDTG-INIZCTEOSA-N 403.548 3.259 0 40 HGAB COc1cc(C(=O)OCc2ncc(-c3cccc(Cl)c3)o2)ccc1OCC(N)=O 25177353 YIRFABBBEODHQI-UHFFFAOYSA-N 416.817 3.225 0 40 HGAB O=C(C1CC1)N1CCC(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)CC1 25965259 VUDYXAGZRVNTON-UHFFFAOYSA-N 409.452 3.003 0 40 HGAB CCOC(=O)c1ccc(N2CCN(C(=O)Cc3ccc(Cl)c(Cl)c3)CC2)nc1 29292160 VMSFFCBCNUHUMY-UHFFFAOYSA-N 422.312 3.456 0 40 HGAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)O2 30938775 MJLBCQWATCGCSE-INIZCTEOSA-N 415.298 3.468 0 40 HGAB Cc1ccc(SCCNC(=O)CSc2nc(-c3ccccc3O)n[nH]2)cc1 32810063 CKFHOYBXEPZTAE-UHFFFAOYSA-N 400.529 3.486 0 40 HGAB CCOc1ccc(N2C[C@@H](C(=O)N[C@H](CC(=O)OC)c3ccc(C)cc3)CC2=O)cc1 32821068 LICTZCIQWDIRQX-GHTZIAJQSA-N 424.497 3.167 0 40 HGAB COc1ccc2c(c1)c(C(=O)CN1CCN(C(=O)c3ccccc3)CC1)c(C)n2C 35366014 ZDMUPUVPUVVGDV-UHFFFAOYSA-N 405.498 3.136 0 40 HGAB Cc1ccc(N2C(=O)[C@H]3[C@@H](C(=O)c4ccc(Cl)cc4)N4CCC[C@@H]4[C@@H]3C2=O)cc1 35889689 DNFVZNPHOQSYCX-WCIQWLHISA-N 408.885 3.484 0 40 HGAB Cc1ccc(N2CCN([C@@H](C(=O)O)c3cn(C)c4ccc(C(=O)O)cc34)CC2)c(C)c1 36360901 JMWIKORZJCBYCP-JOCHJYFZSA-N 421.497 3.441 0 40 HGAB Cc1ccc(-c2cnc(CCC(=O)N3CCC(CN4CCOCC4)CC3)o2)cc1C 36390540 ZSTMKVMSBCYPCI-UHFFFAOYSA-N 411.546 3.462 0 40 HGAB CCn1ccc(-c2cc(C(=O)N[C@H](C)Cn3nc(C)cc3C)c3c(C)noc3n2)n1 36617974 YUGQICDPMDJDEA-CYBMUJFWSA-N 407.478 3.046 0 40 HGAB Cc1oc(C(=O)NCCC2=CCCCC2)cc1S(=O)(=O)N1C[C@H](C)O[C@H](C)C1 38489337 TVAQNVKSSGHIIU-GASCZTMLSA-N 410.536 3.006 0 40 HGAB Cc1ccc(-n2ncc(C(=O)N(C)Cc3nnc4n3CCC4)c2C(F)(F)F)cc1 40092666 SXNAKZJPBCLPNN-UHFFFAOYSA-N 404.396 3.009 0 40 HGAB COc1ccc(C2=CCN(C(=O)c3ccc(CN4C(=O)CCC4=O)cc3)CC2)cc1 40122428 LKVHYIMTEYSEKO-UHFFFAOYSA-N 404.466 3.274 0 40 HGAB O=C1NC2=C(C(=O)N(CCc3ccccc3)C2)[C@H](c2ccccc2C(F)(F)F)N1 57531449 YMSFHHBTXISOEI-SFHVURJKSA-N 401.388 3.398 0 40 HGAB COc1ccc(N2C[C@@H](C(=O)N3CCc4cc(Br)ccc43)CC2=O)cc1 60129567 RWYRLDJAMZGOTK-AWEZNQCLSA-N 415.287 3.400 0 40 HGAB COC(=O)c1[nH]c2cc(C)ccc2c1NC(=O)CN1CCN(c2ccc(F)cc2)CC1 61942404 RDRRXQZPNYLESG-UHFFFAOYSA-N 424.476 3.163 0 40 HGAB COc1cccc(-c2cn(CC(=O)Nc3ccc(F)cc3)nc2N2CCOCC2)c1 62006955 YPJFWLDCSTUSTH-UHFFFAOYSA-N 410.449 3.173 0 40 HGAB O=C(NCCCc1ccccc1)c1cnn2c(-c3ccc4c(c3)OCO4)ccnc12 65026767 RNFHXOFXUXWSRG-UHFFFAOYSA-N 400.438 3.488 0 40 HGAB C[C@@]1(C2CCN(c3nc(-c4ccccc4)nc4ccccc34)CC2)NC(=O)NC1=O 72312265 FWIYLOIUYLMOMW-QHCPKHFHSA-N 401.470 3.111 0 40 HGAB CC(=O)Nc1cccc(-c2nccnc2[C@H]2CCCN(C(=O)Cc3ccncc3)C2)c1 72358848 YFHYMHQASYYMHQ-FQEVSTJZSA-N 415.497 3.446 0 40 HGAB O=C1c2ccccc2C(=O)N1C1(c2ccc(Br)cc2)CC2(C1)OCCO2 77011461 SRQOEALLKYZTFD-UHFFFAOYSA-N 414.255 3.478 0 40 HGAB C[C@@]1(NC(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)CCS(=O)(=O)C1 79110555 TUZJEZMIFZBXOE-MRXNPFEDSA-N 405.442 3.004 0 40 HGAB CS(=O)(=O)N1N=C(c2cccc(Br)c2)C[C@H]1c1ccc2c(c1)OCO2 89484431 FSCYNIYOCPZOMF-HNNXBMFYSA-N 423.288 3.289 0 40 HGAB C[C@@H](C(=O)NNc1c(Cl)cc(Cl)cc1Cl)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 95351775 MMSQWQTXKAUUIT-LSJOCFKGSA-N 416.692 3.430 0 40 HGAB O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)c1ccc(NC(=O)c2ccco2)cc1 95424586 YKLOBJBTMGFKPN-IBGZPJMESA-N 417.421 3.439 0 40 HGAB O=C(c1ccnnc1)N1CCC(c2nc3ccc(-c4cccc(F)c4)cn3n2)CC1 96038210 PEQJEFROVWVGBM-UHFFFAOYSA-N 402.433 3.345 0 40 HGAB CC(C)[C@H](NC(=O)Cn1nc(-c2ccc(F)cc2)ccc1=O)c1nc2ccccc2[nH]1 96231797 LYSXZYRWPOGLEB-QFIPXVFZSA-N 419.460 3.439 0 40 HGAB O=S(=O)(NC[C@H]1Cn2c(-c3ccc(F)cc3)cnc2CO1)c1ccc(Cl)cc1 96296343 XBMOPAXXJNEWRW-INIZCTEOSA-N 421.881 3.220 0 40 HGAB biogenic,in-vitro COc1cc(/C=C2/OC(=S)N=C2O)ccc1OCC(=O)Nc1ccc(F)cc1 96911457 XMEMZRCHCDWCKR-CXUHLZMHSA-N 402.403 3.464 0 40 HGAB O=C(Nc1cc(C(F)(F)F)ccc1F)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 97135407 NPHWRKRDNAHFFK-CHWSQXEVSA-N 424.416 3.045 0 40 HGAB COc1cccc(C2=NO[C@H]3C(=O)N(c4ccc(Cl)cc4Cl)C(=O)[C@@H]23)c1OC 102558970 SDEUKQBEQZDDCN-WMLDXEAASA-N 421.236 3.303 0 40 HGAB O=C(CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)Nc1c(-c2ccc(F)cc2)nc2sccn12 103114887 DPJGGKJTAULADW-HUUCEWRRSA-N 424.457 3.092 0 40 HGAB COC(=O)c1cccc(NC(=O)c2cccc(S(=O)(=O)N3CCC(C)CC3)c2)c1 113956817 IVEQVLDFGLCUKK-UHFFFAOYSA-N 416.499 3.146 0 40 HGAB COc1ccccc1CN(C)C(=O)[C@H](C)N(c1cc(C)cc(C)c1)S(C)(=O)=O 216233923 ZPIIYFQNMIELLJ-KRWDZBQOSA-N 404.532 3.125 0 40 HGAB Cc1cccc(N([C@H](C)C(=O)NCCSCc2ccccc2)S(C)(=O)=O)c1 220121986 KGBMUYWGVQBTTJ-QGZVFWFLSA-N 406.573 3.199 0 40 HGAB CNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)COc1ccc(Cl)c(C)c1 222813097 VDAKKRNFQALMLF-HNNXBMFYSA-N 404.894 3.199 0 40 HGAB COCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(Cl)cc1 222923434 GXSVYHHDMBEGBC-OAHLLOKOSA-N 406.885 3.202 0 40 HGAB Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCN(C)C)n1-c1cccnc1 223219286 JMSZAGRNERAHIX-FCHUYYIVSA-N 420.586 3.500 0 40 HGAB CC(=O)Nc1cccc(NC(=O)CCCN(c2cc(C)cc(C)c2)S(C)(=O)=O)c1 223246227 UUPSDTDSCJROOD-UHFFFAOYSA-N 417.531 3.447 0 40 HGAB COc1ccc(CN(C(C)=O)[C@@H](Cc2ccccc2)C(=O)NCc2cccnc2)cc1 223260395 GKYCASFMJJMGMD-DEOSSOPVSA-N 417.509 3.366 0 40 HGAB COC(=O)CN(c1ccc(Br)c(C)c1)S(=O)(=O)c1cccs1 225132852 GPTIHDNUODYEIF-UHFFFAOYSA-N 404.307 3.187 0 40 HGAB CCOc1ccc(NC(=O)CN(C)CC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)cc1OCC 245237859 ZYMHZYHPCASTHA-YQVWRLOYSA-N 419.566 3.295 0 40 HGAB O=C(NC[C@](O)(c1ccsc1)c1ccco1)C(=O)Nc1ccc(F)c(Cl)c1 253471058 AXJUQYWFOSKNGS-SFHVURJKSA-N 408.838 3.124 0 40 HGAB COc1ccccc1C(=O)N1CCC2(CC1)CO[C@H]([C@@]1(C)CC[C@@H](C(C)(C)O)O1)C2 257321851 WDNOIKADGNRFJQ-SXWKCWPCSA-N 417.546 3.415 0 40 HGAB COc1ccc(C(=O)N[C@@H]2C(=O)N/[N+](=C\c3ccc(C)cc3)[C@@H]2c2ccccc2)cc1 409072751 SHFZIPDYQJCLRN-HFXBMHRVSA-O 414.485 3.020 0 40 HGAB COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(Cl)cc(Br)c2O)C1=O 409075025 WVVOTYVKNVRVHP-ONUAPLEPSA-N 420.668 3.406 0 40 HGAB O=S1(=O)CC[C@@H](N(c2ccccc2)S(=O)(=O)c2ccc3ccccc3c2)C1 575421286 ISZNZBCVFUWONR-LJQANCHMSA-N 401.509 3.222 0 40 HGAB C[C@]1(c2cccc(-c3noc(-c4ccc5c(c4)CCCCC5=O)n3)c2)NC(=O)NC1=O 580863551 XEFJRWGKUVTWIQ-HSZRJFAPSA-N 416.437 3.367 0 40 HGAB Cc1noc2nc(C(C)C)cc(C(=O)N3CCCC[C@H]3c3nnc(CN(C)C)o3)c12 583622180 VNIZJQZUCNHXRA-INIZCTEOSA-N 412.494 3.467 0 40 HGAB Cc1nc(C)c(C(=O)N2CCC3(CC2)CO[C@H](CN(C)[C@H]2CC[C@H](O)CC2)C3)s1 585104908 WUWSMLXERDFQDL-FHWLQOOXSA-N 421.607 3.007 0 40 HGAB NC1(C(=O)N2CCC(c3cccc(Nc4ncc(Br)s4)n3)CC2)CC1 585262909 DFYVBOUAALNTGX-UHFFFAOYSA-N 422.352 3.242 0 40 HGAB Cc1cc(OCC2(O)CCN(CC(=O)NCc3ccccc3)CC2)cc(C)c1Cl 585272958 LSTKALQANGOANQ-UHFFFAOYSA-N 416.949 3.479 0 40 HGAB C[C@H](Sc1ccc(F)cc1)C(=O)N1CCO[C@@H](c2ccc(S(C)(=O)=O)cc2)C1 1642182022 HCIOGAWJJNIOGJ-IFXJQAMLSA-N 423.531 3.310 0 40 HGAB O=C(COC(=O)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1)c1ccccc1 712419 IUOKSGQUWROIKU-AWEZNQCLSA-N 402.244 3.228 0 40 HGAB COc1ccc(Cl)cc1NC(=O)Cn1nnc2sc3c(c2c1=O)CC[C@@H](C)C3 958500 OYLFSPYFTICAGH-SNVBAGLBSA-N 418.906 3.279 0 40 HGAB COc1ccc2cc([C@@H](c3nnnn3C3CCCC3)N3CCCCC3)c(=O)[nH]c2c1 1224819 NRAZFABSROGYDO-FQEVSTJZSA-N 408.506 3.214 0 40 HGAB COc1ccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1OC 1379538 MRPMMVLDQRBMIH-MRXNPFEDSA-N 424.906 3.149 0 40 HGAB CCc1c(C)c2ccc(OCC(=O)NCC3CCC(C(=O)O)CC3)c(C)c2oc1=O 2137661 WQXKOBYLQWJFPY-UHFFFAOYSA-N 415.486 3.358 0 40 HGAB biogenic CCSc1nnc(NC(=O)Cn2nc(C(F)F)c(Br)c2C)s1 2779279 GCZSUPZCRJCCDP-UHFFFAOYSA-N 412.285 3.494 0 40 HGAB CN(CC(=O)Nc1ccccc1Cl)C(=O)CSc1nnc(-c2ccco2)o1 3428459 MBENETUEPIOKEH-UHFFFAOYSA-N 406.851 3.172 0 40 HGAB Cc1ccc(OCC(=O)N(Cc2cccc(Cl)c2)[C@@H]2CCS(=O)(=O)C2)cc1 4318682 JRYLTGLSMPIZMV-GOSISDBHSA-N 407.919 3.243 0 40 HGAB Cc1ccc(C)c(NC(=O)CSc2nn3c(=O)c(C(C)(C)C)nnc3s2)c1 4569854 KXDZYQFDDZYYPQ-UHFFFAOYSA-N 403.533 3.191 0 40 HGAB CCOC(=O)c1ccc(N2C(=O)N[C@@H]3C[C@@]2(C)Oc2ccc(C(=O)OC)cc23)cc1 4852869 YVGYNGCNVSQNNJ-VGOFRKELSA-N 410.426 3.420 0 40 HGAB O=C(Cn1nnc(-c2ccc(Br)cc2)n1)NCc1cccc(Cl)c1 5255568 WZEOLEJLBJUVEB-UHFFFAOYSA-N 406.671 3.072 0 40 HGAB COc1ccc(OC)c(/C=C/C(=O)N(C)CC(=O)Nc2ccc(F)c(F)c2F)c1 5510332 HWQHKMCPAWNCJN-RUDMXATFSA-N 408.376 3.231 0 40 HGAB CC(C)[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NCCc1ccc(Cl)cc1 6558316 DLCDIENIJNTYDD-SFHVURJKSA-N 412.914 3.141 0 40 HGAB Cc1cc(=O)oc2cc(O[C@@H](C)C(=O)NC[C@H](O)c3ccccc3)c(Cl)cc12 6659526 SRLHQVPRZXJXJR-GUYCJALGSA-N 401.846 3.372 0 40 HGAB CCc1ccc(O[C@@H](C)C(=O)N(Cc2ccc(C)o2)[C@H]2CCS(=O)(=O)C2)cc1 6810372 VNZMDSVRMPKKCU-WMZOPIPTSA-N 405.516 3.134 0 40 HGAB CCN(C(=O)c1cc2c(=O)n3ccccc3nc2n1CCCOC)c1ccccc1 6814113 LTZMZPRDZFBIRT-UHFFFAOYSA-N 404.470 3.352 0 40 HGAB CN(C)C(=O)[C@H](OC(=O)Cn1c(C(F)(F)F)nc2ccccc21)c1ccccc1 6931983 IIDUYVMLWCPHNU-QGZVFWFLSA-N 405.376 3.428 0 40 HGAB Cc1cccc(N(Cc2ccccc2)C(=O)CN2C(=O)C(=O)N(C3CCCC3)C2=O)c1 7049132 RWTUBEPZGAWDSR-UHFFFAOYSA-N 419.481 3.262 0 40 HGAB COc1ccc(C(=O)Nc2ccc3nc(C)sc3c2)cc1S(=O)(=O)NC1CC1 7282132 BJOGVDXHTFKFDJ-UHFFFAOYSA-N 417.512 3.306 0 40 HGAB COc1ccc(C(=O)N2CCN(c3ccc(NC(=O)C(F)(F)F)cc3)CC2)cc1 7387882 XPDJXFIHIYOKPQ-UHFFFAOYSA-N 407.392 3.158 0 40 HGAB C[C@@H]1CCC[C@@H](C)N1C(=O)COC(=O)CNC(=O)c1ccc(Cl)cc1Cl 8137151 NTRDXNWADUFIRX-VXGBXAGGSA-N 401.290 3.056 0 40 HGAB COc1ccccc1Cc1nnc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)s1 8216723 ALNSZFLUAMIPKH-OAHLLOKOSA-N 408.483 3.129 0 40 HGAB COc1ccc2[nH]cc(CCNC(=O)[C@@H]3CC(=O)N(CCc4ccc(F)cc4)C3)c2c1 8246323 NDOLBNAHUWFXJC-GOSISDBHSA-N 423.488 3.066 0 40 HGAB COCCCNS(=O)(=O)c1ccc(NC(=O)c2cccc(Cl)c2)c(F)c1 8810181 GBWWRJQNYMHDNC-UHFFFAOYSA-N 400.859 3.046 0 40 HGAB CN(CC(=O)NCC12CC3CC(CC(C3)C1)C2)S(=O)(=O)/C=C/c1ccccc1 8982800 JVQVQJAOBRODIE-BQYQJAHWSA-N 402.560 3.252 0 40 HGAB O=C(C[C@@]1(O)C(=O)N(Cc2cccs2)c2ccccc21)c1ccc2c(c1)OCO2 8992621 KICUMWPQKOSBRC-QFIPXVFZSA-N 407.447 3.484 0 40 HGAB COc1ccccc1N1C(=S)N(Cc2ccc(Cl)cc2)[C@@H]2CS(=O)(=O)C[C@H]21 9343895 GQGTXPKSRXOYPX-IAGOWNOFSA-N 422.959 3.121 0 40 HGAB COc1ccc2c(c1OC)C(=O)N1[C@H]2SC[C@H]1C(=O)NCc1ccccc1Cl 9346000 RFVWAFFVNPOPDM-XOBRGWDASA-N 418.902 3.243 0 40 HGAB CCOC(=O)c1ccc(NC(=O)CSc2nnc(NC(=O)C(C)(C)C)s2)cc1 9364417 VWDHMLZHCLLJGR-UHFFFAOYSA-N 422.532 3.430 0 40 HGAB O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1ccc2c(c1)OCCCO2)c1ccco1 9613952 ISVVYRXLLGBCIH-SFHVURJKSA-N 406.438 3.421 0 40 HGAB COc1cccc(C(=O)CSc2nnc([C@@H](C)NC(=O)c3ccccc3)n2C)c1 9615009 QZPPEWXECIBEFL-CQSZACIVSA-N 410.499 3.290 0 40 HGAB COc1ccc(S(=O)(=O)N(C)CCCC(=O)Nc2cccc3cccnc23)cc1 10502071 SPQXRGPLEZAPRM-UHFFFAOYSA-N 413.499 3.283 0 40 HGAB CCOC(=O)[C@H]1[C@H](c2cccc(Cl)c2Cl)NC(=O)N(C)[C@@]1(O)C(F)(F)F 11859214 PNSNPZMMVZBGOH-PUYPPJJSSA-N 415.195 3.120 0 40 HGAB COc1ccc(-c2cc3nc([C@H](C)NC(=O)Cc4cccc(F)c4)nn3cn2)cc1 12085165 GTHGBTOXGLVKLK-AWEZNQCLSA-N 405.433 3.359 0 40 HGAB CC(C)(C)c1cc2nc3c(c(O)n2n1)CN(Cc1ccnn1[C@@H]1CCCCO1)CC3 12142932 RXUBSFFMQVUTIF-FQEVSTJZSA-N 410.522 3.186 0 40 HGAB Cc1ccc(NC(=O)Cc2ccc3ccccc3c2)cc1S(=O)(=O)N1CCOCC1 12678578 XNWHDKRLQYAHGP-UHFFFAOYSA-N 424.522 3.350 0 40 HGAB Cc1ccccc1[C@H](OC[C@H](O)Cn1cnc2ncccc2c1=O)c1ccccc1 12845741 KAUCSJQAXXYHGK-DENIHFKCSA-N 401.466 3.267 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nn2cnc3ccccc32)c1 12861019 KAJHQBDJZWPUIV-UHFFFAOYSA-N 406.895 3.104 0 40 HGAB CCCNC(=O)[C@H](C)NC(=O)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1 12916709 ZXZVOJXSSXIDQX-ZDUSSCGKSA-N 400.866 3.430 0 40 HGAB Cc1cccc(CNC(=O)CN(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)c1 13649129 POIDJWNVRRMYFR-UHFFFAOYSA-N 401.315 3.384 0 40 HGAB Cc1ccc(C)c(OC[C@H](O)CN2C(=O)N[C@]3(C[C@H](C)CC(C)(C)C3)C2=O)c1C 14190402 KUKVDGZBMYAPEG-SXHVTTPXSA-N 402.535 3.488 0 40 HGAB COC(=O)c1ccc(C)c(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2C)c1 14663144 LYPZTWUZTPKWCJ-UHFFFAOYSA-N 416.499 3.127 0 40 HGAB O=C(c1cccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c1)N1CCOCC1 15420817 XFKFHEZEUPIGGR-UHFFFAOYSA-N 415.298 3.267 0 40 HGAB COc1ccc(Cl)cc1CSc1ccc(S(=O)(=O)N2CCOCC2)cn1 15808615 PBBNTERPICOWCX-UHFFFAOYSA-N 414.936 3.057 0 40 HGAB O=C(/C=C/c1ccccc1)Nc1nnc(S(=O)(=O)Cc2ccc(F)cc2)s1 17043948 XGAXTISGONSCDH-DHZHZOJOSA-N 403.460 3.303 0 40 HGAB COC(=O)c1cc(CNC(=O)c2cc(OC)ccc2Br)ccc1OC 18059604 GGKLWNUYUDAAKW-UHFFFAOYSA-N 408.248 3.183 0 40 HGAB CCOc1ccc(N2C(=O)C[C@H](NCCc3c[nH]c4ccc(OC)cc34)C2=O)cc1 18240786 AKURUVQMKBSIBU-NRFANRHFSA-N 407.470 3.039 0 40 HGAB Cc1ccc(C(=O)N[C@@H](Cc2ccccc2)c2ccc3c(c2)OCCO3)c(=O)n1C 19131744 NWXVILNSSAFXHD-FQEVSTJZSA-N 404.466 3.179 0 40 HGAB Cc1cccc([C@H]2CN(C(=O)C3CCCC3)[C@@H]3CCN(C(=O)c4cnccn4)C[C@H]23)c1 19235239 XXCXXFQVDRVNNX-MQSCRBSSSA-N 418.541 3.432 0 40 HGAB CC(C)[C@@H](NC(=O)CSc1nnc(NC2CC2)s1)c1ccc2c(c1)OCCO2 19241354 AGRKEIMTBTWBOE-QGZVFWFLSA-N 420.560 3.489 0 40 HGAB CC(C)n1cnc2cc(C(=O)N3CCO[C@@H](c4nc(-c5ccccn5)no4)C3)ccc21 19454996 JMJFEYFYOPPMQG-LJQANCHMSA-N 418.457 3.276 0 40 HGAB COc1ccc(CN2CCC([C@H](NC(=O)C(F)F)c3ccccn3)CC2)cc1OC 19560853 XOHMTOZPPJPEEA-FQEVSTJZSA-N 419.472 3.433 0 40 HGAB COc1ccc2cnc(C3CCN(CC(=O)[C@H](C)N4CCOCC4)CC3)cc2c1C 19582710 XKARHYVJAFOIKI-SFHVURJKSA-N 411.546 3.021 0 40 HGAB COCCNC(=O)c1sc2ncccc2c1[C@H]1CCN(C(=O)c2ccccc2)C1 19696133 CJYKZHHAZNNTGV-INIZCTEOSA-N 409.511 3.302 0 40 HGAB Cc1ccc([C@@]2(O)CCN(C(=O)c3ccc(Nc4cc(C)nc(N)n4)cc3)C2)cc1 19716990 AHHXLBVHXHANIR-HSZRJFAPSA-N 403.486 3.153 0 40 HGAB Cc1nc([C@H]2CCCN(C(=O)C(C)C)C2)nc2c1CC(=O)N2Cc1ccc(F)cc1 19744537 INIJIMMNNPTFBA-KRWDZBQOSA-N 410.493 3.375 0 40 HGAB CCOc1ccccc1CNC(=O)[C@@H](C)N(c1cc(C)ccc1C)S(C)(=O)=O 20458200 UZWKYZFBJUGVNX-QGZVFWFLSA-N 404.532 3.173 0 40 HGAB COC(=O)COCCN1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 22054210 BYCHNMFDSQCCDD-QFIPXVFZSA-N 402.922 3.237 0 40 HGAB in-vitro Cc1nc2sc([C@@H](c3ccco3)N3CCN(Cc4ccccc4)CC3)c(O)n2n1 22459056 XBYQNPDQLZDCEJ-GOSISDBHSA-N 409.515 3.305 0 40 HGAB Cc1nn(-c2cccc(Cl)c2)c2sc(C(=O)NCCN3CCOCC3)cc12 24060423 XURGKIFJKFUHFE-UHFFFAOYSA-N 404.923 3.111 0 40 HGAB Cc1cccc(CS(=O)(=O)N2CCC(C(=O)N(C)Cc3ccccc3)CC2)c1 24611840 WRFPUISNCCXQAU-UHFFFAOYSA-N 400.544 3.195 0 40 HGAB CC[C@@H](C)c1ccc(S(=O)(=O)N2CCN(C[C@H](O)c3ccccc3)CC2)cc1 25685728 FSXOGUQMHBZTQL-GCJKJVERSA-N 402.560 3.240 0 40 HGAB Cc1cccc2c(=O)n(CCC(=O)N3CCC[C@H]3c3ccc4c(c3)OCCO4)cnc12 27153875 FOQUMGUKVRSSAX-IBGZPJMESA-N 419.481 3.230 0 40 HGAB C[C@H]1CCCC[C@]12NC(=O)N(CN(Cc1ccc(C(=O)NC3CC3)cc1)C1CC1)C2=O 27539129 UGRAGBZLSPGRPL-FYSMJZIKSA-N 424.545 3.001 0 40 HGAB CC(=O)c1csc(NC(=O)[C@@H]2CC(=O)N(c3ccc(Br)c(C)c3)C2)n1 32420489 UXWXZMVVGASCMW-LLVKDONJSA-N 422.304 3.408 0 40 HGAB O=C(O)COc1ccc(S(=O)(=O)Nc2ccc(Br)cc2Cl)cc1 32587825 ZTEAJQQHNSGJHU-UHFFFAOYSA-N 420.668 3.367 0 40 HGAB CN(C)C(=O)CSc1ccccc1C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 32911492 SIGKCDQRXFTHQF-IBGZPJMESA-N 411.571 3.261 0 40 HGAB Cc1ccc(NC(=O)[C@@H](C)S(=O)(=O)Cc2cccc(Br)c2)c(O)c1 32925270 HDVKHWOMUZLSDV-GFCCVEGCSA-N 412.305 3.405 0 40 HGAB O=C(COc1ccccc1)N1CCC[C@@H](c2nnc(-c3ccc4c(c3)OCO4)o2)C1 35596912 YRIRXBJJCZSLPV-MRXNPFEDSA-N 407.426 3.250 0 40 HGAB Cc1ccc(NC(=S)N(CC(C)C)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)c(C)c1 39983343 NDPGXMJIVVSBRC-UHFFFAOYSA-N 417.579 3.251 0 40 HGAB CC(C)n1nccc1NC(=O)[C@H](C)OC(=O)c1nn(-c2ccccc2)c2c1CCC2 40024765 AVMGXNJIERDDQN-HNNXBMFYSA-N 407.474 3.322 0 40 HGAB CCCSc1ncc(Br)c(C(=O)N[C@@H](Cc2ccccc2)C(=O)O)n1 46086192 CKNGWGLNDWHJKW-ZDUSSCGKSA-N 424.320 3.167 0 40 HGAB Cc1ccc(N([C@H](C)C(=O)NCC(F)(F)F)S(=O)(=O)c2ccccc2)cc1 49609451 ZAQVASUQDHZFCG-CQSZACIVSA-N 400.422 3.257 0 40 HGAB COc1ccc(OC)c(CN(C)S(=O)(=O)c2ccc(Br)cc2)c1 63765031 APEGSEGWZSQRME-UHFFFAOYSA-N 400.294 3.287 0 40 HGAB COc1ccc(-c2csc3c(=O)[nH]c(N4CCN(c5ccccn5)CC4)nc23)cc1 67245900 HSJMHCMWNAFJQY-UHFFFAOYSA-N 419.510 3.382 0 40 HGAB Nc1ncc(-c2ccc(Cl)cc2)c([C@@H]2CCCCN2S(=O)(=O)c2cn[nH]c2)n1 72377287 SEQQNKZXBZQNOQ-INIZCTEOSA-N 418.910 3.018 0 40 HGAB Cc1cc(N2CCN(Cc3nc(C)no3)CC2)c2cccc(OC(F)(F)F)c2n1 78814487 YBWWBBAMRCZCQH-UHFFFAOYSA-N 407.396 3.455 0 40 HGAB Cc1cc(-c2cccc(F)c2)nnc1N1CCN(CC(=O)NCc2ccccc2)CC1 78903721 RMGIOERISVMHGZ-UHFFFAOYSA-N 419.504 3.030 0 40 HGAB O=C(NC[C@H]1CC(=O)N(Cc2ccccc2)C1)Nc1nc(-c2cccnc2)cs1 95442634 LFOVEVSZUCPOQO-MRXNPFEDSA-N 407.499 3.375 0 40 HGAB Cc1oc(CNC(=O)C2(c3ccc(Br)cc3)CCOCC2)cc1C(=O)O 95970444 OEEQOYIFPOEFIY-UHFFFAOYSA-N 422.275 3.413 0 40 HGAB Cn1cc([C@@H]2SCC(=O)Nc3ncn(-c4ccc(Br)cc4)c32)cn1 96117878 YPYODDDJMCSUBB-HNNXBMFYSA-N 404.293 3.143 0 40 HGAB COc1ccccc1[C@@H](CNC(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1)OC 96385257 MZNYOYONEPCXHM-MRXNPFEDSA-N 412.364 3.036 0 40 HGAB CCOC(=O)Cc1sc(Nc2ccccn2)nc1CN1C(=O)c2ccccc2C1=O 98086632 PTPQNFYFVLOGBN-UHFFFAOYSA-N 422.466 3.184 0 40 HGAB O=C1[C@H]2ON=C(c3ccc(Cl)cc3Cl)[C@H]2C(=O)N1c1ccc2c(c1)OCO2 101264758 NPQWSWSOALBRRO-ZBFHGGJFSA-N 405.193 3.015 0 40 HGAB CC[C@H](C(=O)N[C@H](C)COc1ccccc1C)N(c1ccc(C)cc1)S(C)(=O)=O 219101898 ITYKCEYJYGMPTQ-UYAOXDASSA-N 418.559 3.432 0 40 HGAB Cc1ccccc1CSCCNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 219975006 QFRIDZZRXZCHMK-UHFFFAOYSA-N 418.584 3.443 0 40 HGAB CC(C)Oc1cccc(N(CC(=O)N[C@H]2CCCc3ccccc32)S(C)(=O)=O)c1 220112229 SOXFLAAGZSHIJY-NRFANRHFSA-N 416.543 3.434 0 40 HGAB CCOC(=O)c1ccc(NC(=O)CCCN(c2ccccc2C)S(C)(=O)=O)cc1 222550167 IJANBWXZCXEJRI-UHFFFAOYSA-N 418.515 3.357 0 40 HGAB COC(=O)c1cn(C(=O)[C@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)c2ccccc12 222597533 NOCCIQLBJDGRAC-ZDUSSCGKSA-N 418.446 3.062 0 40 HGAB O=C(CCc1cccc2ccccc12)N1CCN(S(=O)(=O)c2ccccc2)CC1 222670947 CZOPNCBOIWHMQL-UHFFFAOYSA-N 408.523 3.306 0 40 HGAB CCOC(=O)c1cccc(NS(=O)(=O)c2ccc(SC)c(NC(C)=O)c2)c1 222698880 HKWVKUPUZIHLOT-UHFFFAOYSA-N 408.501 3.344 0 40 HGAB COc1ccc(N(CCCC(=O)N[C@@H](C)c2ccccc2OC)S(C)(=O)=O)cc1 223465718 CWYAYCITDLCEJX-INIZCTEOSA-N 420.531 3.127 0 40 HGAB C[C@@H](NS(=O)(=O)Cc1c(F)cccc1Cl)c1ccc(S(C)(=O)=O)cc1 223857786 RFHBHQQZYCJSAJ-LLVKDONJSA-N 405.900 3.063 0 40 HGAB Cc1cc(OCC(=O)NCc2ccc(CN3CCOCC3)cc2)cc(C)c1Cl 224566850 YWQTYXDIRCYMJW-UHFFFAOYSA-N 402.922 3.484 0 40 HGAB COc1cccc([C@H](CC(=O)O)NC(=S)Nc2ccc(Br)cn2)c1 225224821 CSYMXTPEMANLDQ-ZDUSSCGKSA-N 410.293 3.355 0 40 HGAB CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCCc1ccc(F)cc1 225695021 CKYIHLVBNAZOGB-FQEVSTJZSA-N 422.522 3.128 0 40 HGAB COc1ccccc1N1CCN(C(=O)/C=C/c2ccc(Br)c(N)c2)CC1 256054108 UYVAEQRKSLXSAV-VQHVLOKHSA-N 416.319 3.402 0 40 HGAB COc1cccc(N(CC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)S(C)(=O)=O)c1 260838337 QZCGTEHPOFIMJQ-MRXNPFEDSA-N 416.543 3.217 0 40 HGAB Cc1nc(C(=O)N2C[C@H]3[C@@H](C2)N(Cc2ccc(F)cc2)C(=O)c2cccn23)cs1 306125615 CVROGSLKJLEUPF-RBUKOAKNSA-N 410.474 3.114 0 40 HGAB COc1cccc(NC(=O)COc2ccc(S(=O)(=O)N3CCCCC3)cc2C)c1 408588426 GDKIHMUTIMLTIP-UHFFFAOYSA-N 418.515 3.196 0 40 HGAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2cc(Cl)ccc2OC)cc1 408602175 IDJNWSDGJPMYJD-GFCCVEGCSA-N 412.895 3.053 0 40 HGAB Cc1ccc(NC(=O)[C@@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1Cl 408704450 NPLWZSIYQYDRPR-CYBMUJFWSA-N 424.906 3.213 0 40 HGAB Cc1c(C(=O)N2CCn3cc(CC(=O)N4CC=CC4)nc3[C@H]2C)oc2ccccc12 585097076 FJZIYPWANXCYTN-MRXNPFEDSA-N 404.470 3.096 0 40 HGAB CN(C(=O)OC(C)(C)C)C1CC(C(=O)NCc2ccc(C3(C)OCCO3)cc2)C1 1151119554 VBOUBSZGDURVIK-UHFFFAOYSA-N 404.507 3.168 0 40 HGAB COc1nsc(C(=O)NCCc2ccnn2-c2ccccc2)c1Br 1615610532 KRBNUTHLQYBSMK-UHFFFAOYSA-N 407.293 3.072 0 40 HGAB Cc1ccc(C)c(O[C@@H](C)C(=O)N2CCC(Cn3nc4c(cc3=O)CCCC4)CC2)c1 1775965952 MOROLYXGVQOGLT-IBGZPJMESA-N 423.557 3.445 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC[C@H](c3nc(-c4cccs4)no3)C2)cc1 1364432 PDZPSCXNKKDXNO-ZDUSSCGKSA-N 405.501 3.375 0 40 HGAB C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@@H](CN4CCC(N5CCCCC5)CC4)[C@H]3[C@H](O)[C@@]21C 2102029 GQWCDWWREXSFDW-BRKXNLHOSA-N 416.606 3.222 0 40 HGAB biogenic COc1ccc(-n2ncc3c(NCCc4ccc(OC)c(OC)c4)ncnc32)cc1 2369386 XVPHIUKCUWNXQP-UHFFFAOYSA-N 405.458 3.496 0 40 HGAB O=C(c1ccco1)N1CCN(S(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)CC1 2380864 VSMVKXWBQSYJAZ-UHFFFAOYSA-N 423.705 3.387 0 40 HGAB COc1ccc(C(=O)OCC(=O)c2cc(C)n(C[C@H]3CCCO3)c2C)c(OC)c1 2617138 WDCOJJCXZXFZJZ-QGZVFWFLSA-N 401.459 3.341 0 40 HGAB O=C(COc1ncnc2c(Cl)cc(Cl)cc12)NCc1ccc2c(c1)OCO2 2664096 FNUOYRPYYPHRAG-UHFFFAOYSA-N 406.225 3.361 0 40 HGAB CCOC(=O)[C@H](C)Oc1cccc2c(=O)n(CC(=O)Nc3ccccc3F)ccc12 2712289 FRAXJWGLJAGLJY-AWEZNQCLSA-N 412.417 3.110 0 40 HGAB CC(C)[C@H](NC(=O)c1ccccc1)C(=O)OCC(=O)N[C@@H]1CCCc2ccccc21 3220334 KLAJTVFSBZTCBJ-IRLDBZIGSA-N 408.498 3.178 0 40 HGAB COc1ccccc1OCCC(=O)OCC(=O)Nc1ccc(Br)cc1 3270281 KOPMVVCABYQIGY-UHFFFAOYSA-N 408.248 3.409 0 40 HGAB CCOc1ccccc1N1C[C@H](C(=O)Oc2ccc3c(C)cc(=O)oc3c2)CC1=O 3349161 GKTQCQZAYNTGPX-OAHLLOKOSA-N 407.422 3.459 0 40 HGAB COc1cc(SC)ccc1C(=O)OCC(=O)Nc1ccc(N2CCOCC2)cc1 4802768 ZNDYEHGRDQSTQL-UHFFFAOYSA-N 416.499 3.049 0 40 HGAB CC(C)[C@@H](C(=O)Nc1ccccc1Br)n1nnc2ccccc2c1=O 5243919 IYSCZKUWNXSHDB-INIZCTEOSA-N 401.264 3.390 0 40 HGAB O=C(COC(=O)c1ccc2[nH]c3c(c2c1)CCCC3)NCc1ccc2c(c1)OCO2 5938287 DRTWLAPAYLCJCD-UHFFFAOYSA-N 406.438 3.249 0 40 HGAB CCOc1ncccc1C(=O)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1 6287193 RJTCDOFJLOQWGT-UHFFFAOYSA-N 403.504 3.297 0 40 HGAB COc1ccc(CCNC(=O)CN(C)CCOc2ccc(Cl)cc2)cc1OC 6509165 SDPYMNOHYXXARX-UHFFFAOYSA-N 406.910 3.027 0 40 HGAB CCCN1C(=O)S/C(=C/c2ccc(OCC(=O)O)c(Br)c2)C1=O 6656412 GXHRQLYILFBPBS-KPKJPENVSA-N 400.250 3.359 0 40 HGAB C[C@@H]1CCC[C@H](NC(=O)NC(=O)CSc2nnnn2-c2ccc(Cl)cc2)[C@@H]1C 6787533 IKIMOJPKUURAHF-JMSVASOKSA-N 422.942 3.058 0 40 HGAB CCCCCCn1nc(C(=O)Nc2ccc(-n3cnnn3)cc2)c2ccccc2c1=O 6947928 XDSYOJRDUDELLR-UHFFFAOYSA-N 417.473 3.205 0 40 HGAB C[C@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)C(=O)NC1CCCCCC1 7095120 GNTIDADUOWJVDK-AWEZNQCLSA-N 411.531 3.428 0 40 HGAB COc1ccc(-c2cc3c(=O)n(CC(=O)Nc4cccc(C)c4C)ccn3n2)cc1 7615965 IJXPPHCUZFHORP-UHFFFAOYSA-N 402.454 3.427 0 40 HGAB CCn1c(S[C@@H](C)C(=O)Nc2ccc(F)c(Cl)c2)nnc1N1CCOCC1 7872679 DXQIHLCFFSSDSO-NSHDSACASA-N 413.906 3.046 0 40 HGAB COc1ccc(/C=C/C(=O)N[C@@H](C)C(=O)OCC(=O)c2ccc(Cl)s2)cc1 7987230 WJOJNAXZAGWJMJ-DJTWPOEFSA-N 407.875 3.354 0 40 HGAB COC[C@H](C)n1c(C)cc(C(=O)CSc2nnnn2Cc2cccs2)c1C 8131540 BXWGJNTUWFRRGS-ZDUSSCGKSA-N 405.549 3.384 0 40 HGAB COc1cccc(N(CC(=O)Nc2cccc(Cl)c2Cl)S(C)(=O)=O)c1 8167611 LUGSMFMMFJUFPS-UHFFFAOYSA-N 403.287 3.407 0 40 HGAB COc1ccc(C(=O)N2CCC[C@H]3CCCC[C@@H]32)cc1S(=O)(=O)N1CCCC1 8270197 ADCOSJWDCJCWLZ-AEFFLSMTSA-N 406.548 3.275 0 40 HGAB CCC1(CC)NC(=O)N(CC(=O)N2c3ccccc3OC[C@H]2c2ccccc2)C1=O 8273710 MTQCEXLRINSHSV-SFHVURJKSA-N 407.470 3.264 0 40 HGAB O=C(NCc1ccco1)[C@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(CC2CCCCC2)nn1 8298598 CDRZHQMEPJKFJE-DWLFOUALSA-N 411.550 3.021 0 40 HGAB biogenic,in-vitro O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)Nc1ccc2c(c1)OC(F)(F)O2 8631716 HMNIOEXGWZWMRU-UHFFFAOYSA-N 410.682 3.481 0 40 HGAB Cc1nc(-c2cccc(NC(=O)Cn3nnc(COc4ccccc4)n3)c2)cs1 8855546 RHRWGLWUFBGGKZ-UHFFFAOYSA-N 406.471 3.323 0 40 HGAB Cc1ccc(S(=O)(=O)N(CC(=O)N2CCc3ccccc32)Cc2ccco2)cc1 9495001 AOVATZVFBMSDDN-UHFFFAOYSA-N 410.495 3.368 0 40 HGAB NC(=O)c1nc(-c2ccc(C(F)(F)F)cc2)nc2c1[nH]c(=O)n2-c1ccccc1F 9738850 SJKLLOPGEGUUJS-UHFFFAOYSA-N 417.322 3.033 0 40 HGAB O=C(c1cn(Cc2ccccc2)nc1-c1cccnc1)N1CCN(c2ccccn2)CC1 9798159 IXUWSWFYAAKHJR-UHFFFAOYSA-N 424.508 3.351 0 40 HGAB CCCC(CCC)C(=O)N1CCN(c2ncnc3c2nnn3-c2ccccc2)CC1 9823873 IHEYYEWVPUMIOI-UHFFFAOYSA-N 407.522 3.076 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)SCc3ccccc3)CC2)cc1 10287690 UPKYBIIJWUFAAG-GOSISDBHSA-N 418.584 3.150 0 40 HGAB COc1ccc(CCNC(=O)CN(c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)cc1 10337660 RQUIHTNAUIJVPF-UHFFFAOYSA-N 418.559 3.118 0 40 HGAB CCN(CC)CCN(C(=O)c1cc(C)nn1C)c1nc2ccc(OC)cc2s1 12286778 WRLSQSTWVRFVEH-UHFFFAOYSA-N 401.536 3.335 0 40 HGAB COCCNC(=O)Cc1ccc(NS(=O)(=O)c2c(Cl)cccc2Cl)cc1 12532546 BWPKPDFMVNVQLG-UHFFFAOYSA-N 417.314 3.099 0 40 HGAB Cc1cc(NC(=O)[C@@H](C)SCC(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)no1 12581308 UHLKEQXFTRPQGH-CZUORRHYSA-N 413.503 3.283 0 40 HGAB Cc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)cc2)cc1 12637584 CMIMUZHNHLPFLP-CALCHBBNSA-N 422.572 3.462 0 40 HGAB O=C(Nc1nnc(C2CC2)s1)c1cccc(S(=O)(=O)NCc2ccccc2)c1 12736087 OXPQXILGVFKNSG-UHFFFAOYSA-N 414.512 3.146 0 40 HGAB C[C@H](NC(=O)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1)c1ccc(Cl)cc1 12783991 LHYFDRGQCOXOGD-KBXCAEBGSA-N 422.934 3.288 0 40 HGAB CC1(C)CC(NC(=O)[C@H]2CC(=O)N(c3ccc(Br)cc3)C2)CC(C)(C)N1 12824906 WLVPLWGYIMYFKZ-ZDUSSCGKSA-N 422.367 3.227 0 40 HGAB CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(-n2ncc(Cl)c(Cl)c2=O)cc1 12971429 RIBPUAPBKLNVBT-GFCCVEGCSA-N 416.330 3.493 0 40 HGAB Cc1ccc2nc(CN3CCN(S(=O)(=O)c4ccc(C(C)C)cc4)CC3)cn2c1 13061033 QRCIPXJSBDRAJE-UHFFFAOYSA-N 412.559 3.273 0 40 HGAB O=C(CCc1nc2ccccc2c(=O)[nH]1)OCC(=O)c1ccc(Br)cc1 13128176 GKASYNJUPZENFC-UHFFFAOYSA-N 415.243 3.044 0 40 HGAB O=S(=O)(c1ccc(Cl)cc1)N1CCN(C(=S)Nc2ccccc2F)CC1 13683127 IZIZTSDEHGHERQ-UHFFFAOYSA-N 413.927 3.182 0 40 HGAB COCCNC(=O)[C@H]1CS[C@@H](c2ccc(Cl)cc2)N1C(=O)OC(C)(C)C 13879912 GQPNBWPYWUMGOS-ZBFHGGJFSA-N 400.928 3.454 0 40 HGAB CC1CCC2(CC1)NC(=O)N(CC(=O)Nc1ccccc1C(=O)c1ccccc1)C2=O 14230421 UQXXZOPFYPHHPF-UHFFFAOYSA-N 419.481 3.357 0 40 HGAB COc1cccc(CNC(=O)CSc2ncnc3c2cnn3-c2ccc(F)cc2)c1 14803926 SRYIBBWIKALOCR-UHFFFAOYSA-N 423.473 3.372 0 40 HGAB Cc1noc(C(C)C)c1C(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 15097087 IRJRXHNJMDEFTQ-UHFFFAOYSA-N 405.520 3.211 0 40 HGAB COc1ccc(NC(=O)[C@H](CC(C)C)N2C(=O)[C@H]3CC=CC[C@H]3C2=O)c(OC)c1 15654784 REUGZLWCFKOKGM-JZXOWHBKSA-N 400.475 3.008 0 40 HGAB CC1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)CC1 15734586 RPUROYXBWYECRG-UHFFFAOYSA-N 400.544 3.499 0 40 HGAB CCS(=O)(=O)N1CCCc2ccc(NC(=O)c3c(OC)cccc3OC)cc21 17316233 POLQNSMTNMFNCV-UHFFFAOYSA-N 404.488 3.058 0 40 HGAB Cc1cccc(-c2ccc(C[C@@H]3CN(C(=O)Cc4cccnc4)CCNC3=O)cc2)c1 19235411 BTZIHYDDSQZFQV-XMMPIXPASA-N 413.521 3.417 0 40 HGAB O=C(Cc1ccc(F)cc1)N1CCCC[C@@H]1c1nn(CCO)cc1-c1ccncc1 19333308 VJZKOIINTBHSIG-OAQYLSRUSA-N 408.477 3.373 0 40 HGAB CC(C)[C@H](NC(=O)c1ccoc1CN1CCOCC1)c1ccc2c(c1)OCCCO2 19445853 WZJJOOHXIITCLJ-QFIPXVFZSA-N 414.502 3.400 0 40 HGAB CCn1nc(C)c([C@H](C)NC(=O)c2cccc3c2C(=O)N(C[C@@H]2CCCO2)C3)c1C 19523774 ZEXFNXIQBJBVRQ-KSSFIOAISA-N 410.518 3.146 0 40 HGAB CCN(CC)C(=O)[C@H]1CCCN(C(=O)c2cc(-c3ccncc3)c3cnccc3n2)C1 19526199 LOQWNLCXYSFEEZ-SFHVURJKSA-N 417.513 3.412 0 40 HGAB Cc1cc(C)c(-n2cccn2)c(CN(CCN2CCOCC2)Cc2cccnc2)c1 19566880 CAQCMGLDLKUZCY-UHFFFAOYSA-N 405.546 3.219 0 40 HGAB CNc1cc(C2CCN(C(=O)c3ccc(OC)cc3)CC2)nc(-c2cnccn2)n1 19592352 WJGVCAHTRSQHJA-UHFFFAOYSA-N 404.474 3.004 0 40 HGAB CN(C)C(=O)c1ccc([C@@H]2CCCN(C(=O)C(C)(C)Oc3ccc(F)cc3)C2)nc1 19705903 RZKAQBGNLYEZSG-QGZVFWFLSA-N 413.493 3.486 0 40 HGAB CNc1nc([C@@H]2CCCN2C(C)=O)nc2c1CCN(Cc1ccc(C)cc1OC)C2 19707443 FVLQMPRVSAWQOY-FQEVSTJZSA-N 409.534 3.077 0 40 HGAB Cc1nc(N2CCC(C)CC2)ncc1C(=O)NCc1ccc(CN2CCCC2=O)cc1 19714726 IWARAFYUQNDSBX-UHFFFAOYSA-N 421.545 3.074 0 40 HGAB CC(C)[C@H](Nc1ccc(C(F)(F)F)cn1)C(=O)NCc1nnc2n1CCCCC2 19716093 JSEAMASVEIZWRA-KRWDZBQOSA-N 410.444 3.171 0 40 HGAB Cc1cnc(C(=O)N2CCC[C@]3(CC=CCN(Cc4ccc(F)cc4)C3=O)C2)cn1 19742609 QLCMJJVDRXVHLZ-HSZRJFAPSA-N 408.477 3.135 0 40 HGAB O=C(CSc1nnc(-c2cccc(F)c2)n1C1CCCCC1)Nc1nc[nH]n1 19851617 MCJYRBZABBLPJZ-UHFFFAOYSA-N 401.471 3.438 0 40 HGAB O=C(C[C@@H]1C(=O)N(C[C@H]2CCCO2)c2nc3ccccc3n21)Nc1ccc(F)cc1 20103483 AEJFEVDVBWPYAD-VQIMIIECSA-N 408.433 3.271 0 40 HGAB CCOc1cccc(N(CC(=O)Nc2cc(Cl)ccc2OC)S(C)(=O)=O)c1 22386807 YLZAPNZELGKLJL-UHFFFAOYSA-N 412.895 3.152 0 40 HGAB CCCOc1ccc(N(CC(=O)N[C@@H]2CCCc3ccccc32)S(C)(=O)=O)cc1 22397317 CAYOSUYBJRJGTP-OAQYLSRUSA-N 416.543 3.435 0 40 HGAB Cc1cc(C)c(N(CC(=O)N[C@@H](C)COc2ccccc2C)S(C)(=O)=O)c(C)c1 22425739 AMZRVVSLJCHNBZ-IBGZPJMESA-N 418.559 3.270 0 40 HGAB Cc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NCCCn3ccnc3)c2)cc1 23238652 SDZWBNIWWLFEEO-UHFFFAOYSA-N 412.515 3.121 0 40 HGAB COCc1c(C(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)oc2ccccc12 24082709 MYVWYYZIRDTSDY-UHFFFAOYSA-N 406.482 3.472 0 40 HGAB CCc1ccc(OC[C@H](O)Cn2nnc(-c3ccccc3Br)n2)cc1 24777426 SRXYHCCVBDEXEA-CQSZACIVSA-N 403.280 3.105 0 40 HGAB CCc1ccccc1NC(=O)CNC(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O 24929015 QUOYRYBCUSDJQF-QGZVFWFLSA-N 417.918 3.460 0 40 HGAB CCc1ccccc1NS(=O)(=O)c1ccc(SC)c(C(=O)N2CCOCC2)c1 26116987 SRMGHJJDDWMCCD-UHFFFAOYSA-N 420.556 3.244 0 40 HGAB CN1C(=O)c2ccc(C(=O)NC[C@@H](c3ccccc3Cl)N3CCCC3)cc2C1=O 27345282 KAUNWOAXGYJLBO-IBGZPJMESA-N 411.889 3.133 0 40 HGAB Cc1ccc(-n2ncc([C@@H](C)NC(=O)c3ccc(NS(C)(=O)=O)cc3)c2C)cc1 29282383 MJSIOWUBFRXYPK-OAHLLOKOSA-N 412.515 3.352 0 40 HGAB CN(CC(=O)N1CCNC1=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 32513442 RCVXDDNZPYREOE-UHFFFAOYSA-N 423.904 3.176 0 40 HGAB Cc1ccc(C)c(N2C(SCCOc3ccccc3)=N[C@H]3CS(=O)(=O)C[C@@H]32)c1 32640638 XSUXFQQMXTVMFK-ICSRJNTNSA-N 416.568 3.457 0 40 HGAB CCOc1cc2c(cc1CNC(=O)c1[nH]c(CC)c(C(=O)OC)c1C)O[C@H](C)C2 32741044 KNONNFKRVSDHKA-GFCCVEGCSA-N 400.475 3.324 0 40 HGAB Cc1nc(C(=O)Nc2ccc(C(=O)c3nccn3C)cc2)nn1-c1ccc(Cl)cc1 32808903 SMPLBGKVQZLFIT-UHFFFAOYSA-N 420.860 3.446 0 40 HGAB C[C@@]12CCC(=O)N1c1ccccc1C(=O)N2CC(=O)Nc1ccc2ccccc2n1 32816265 GVRDHABFUNMAGV-QHCPKHFHSA-N 400.438 3.172 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCCN([C@H](C)c3nc(C(C)(C)C)no3)CC2)cc1 32908873 IRZYZGAPDFRRAD-MRXNPFEDSA-N 406.552 3.133 0 40 HGAB COc1cccc(NC(=O)NCc2cc(=O)n3nc(-c4ccccc4C)sc3n2)c1 33257112 FXTLIGOLBAGKLS-UHFFFAOYSA-N 421.482 3.457 0 40 HGAB CCOC(=O)C(C[C@@H](O)c1nc2ccccc2n1Cc1ccccc1)C(=O)OCC 35167698 ZJLOJTCTHXDJOR-HXUWFJFHSA-N 410.470 3.251 0 40 HGAB CCC(=O)N1CCCc2cc([C@@H](O)CN3CCN(c4ccccc4OC)CC3)ccc21 36741243 YEGKEAUIDDLKHQ-QHCPKHFHSA-N 423.557 3.240 0 40 HGAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)N(C)Cc2ccccc2)cc1Cl 39986543 MSFCTSDCDSACFG-UHFFFAOYSA-N 424.950 3.408 0 40 HGAB O=C(COc1ccc(Cl)cc1Br)NCc1nncn1-c1ccccc1 40088252 MCDRIKPFOVTOQU-UHFFFAOYSA-N 421.682 3.378 0 40 HGAB O=S(=O)(CCSc1nnc([C@@H]2COc3ccccc3O2)o1)c1ccccc1 43870104 MCPMWJKTPYZUFC-INIZCTEOSA-N 404.469 3.148 0 40 HGAB O=C(Nc1ccc(NC(=O)N2CCN(C(=O)c3ccco3)CC2)cc1)c1ccco1 43974595 CRNDIHLJFSFSBF-UHFFFAOYSA-N 408.414 3.115 0 40 HGAB CC[C@H](NC(=O)[C@@H]1CCN(S(C)(=O)=O)c2ccccc2O1)c1ccc(C)cc1C 44856745 SOFRKOKZSNSEJQ-RXVVDRJESA-N 416.543 3.488 0 40 HGAB COc1ccc(-c2ccc(=O)n(CC(=O)N[C@@H](C)CCc3ccccc3)n2)c(F)c1 44901029 RHWXICKBKMOESE-INIZCTEOSA-N 409.461 3.196 0 40 HGAB Cc1nc(CSCCC(=O)Nc2cccc(C(=O)N3CCOCC3)c2)cs1 48253211 ZKWLCPPDYRFFEZ-UHFFFAOYSA-N 405.545 3.186 0 40 HGAB CCc1ccccc1NC(=O)Cn1cc(C(=O)N2CCCC2)c(=O)c2ccc(C)nc21 49002217 QEEQUAIINIHFPQ-UHFFFAOYSA-N 418.497 3.142 0 40 HGAB CCN1CCN(C(=O)c2cn(Cc3ccccc3)nc2-c2cccc(OC)c2)CC1 58148915 ZLQLKSKDMWNPFD-UHFFFAOYSA-N 404.514 3.385 0 40 HGAB Cc1cc(C)c(NC(=O)CNC(=O)[C@@H](C(C)C)n2nnc(-c3ccccc3)n2)c(C)c1 59965066 MXDMFJBUMRPJJI-OAQYLSRUSA-N 420.517 3.217 0 40 HGAB COCCOc1ccc(CN2C[C@H]3ON=C(c4ccccc4F)[C@@H]3C2)cc1OC 72343303 VJZZKAWLTLRZGT-DYESRHJHSA-N 400.450 3.094 0 40 HGAB O=C(Nc1cccnc1-n1cc(Br)cn1)c1cc2ccccc2oc1=O 72404168 DZBCHXTVVHVFQO-UHFFFAOYSA-N 411.215 3.389 0 40 HGAB O=C(NCCn1nc(C2CC2)n(-c2ccccc2)c1=O)c1c(F)cccc1Cl 77197962 URNJSUQCTOICDD-UHFFFAOYSA-N 400.841 3.134 0 40 HGAB Cc1ccc(CNC(=O)COc2ccc(S(=O)(=O)NCCC(C)C)cc2)cc1F 95446963 ZROWYRXPFJCJQU-UHFFFAOYSA-N 422.522 3.154 0 40 HGAB O=c1ccc(-c2cccs2)nn1CC1(O)C[C@H]2CCC[C@H](C1)N2Cc1cccnc1 100150294 FNEZUJADYXQCOS-RTBURBONSA-N 422.554 3.315 0 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3.282 0 40 HGAB COc1cccc(N2CCN(C3CCN(C[C@@H]4COc5ccccc5O4)CC3)CC2)c1 252492658 MRSRAUYUHDOUKR-HSZRJFAPSA-N 423.557 3.122 0 40 HGAB COc1cccc(-c2cncc([C@H]3CN(C(=O)Cc4ccc(F)cc4)CCO3)n2)c1 257248249 JCVCQAUCYIKLJQ-JOCHJYFZSA-N 407.445 3.434 0 40 HGAB CNc1nc([C@@H]2CCNC2)nc2c1CCN(Cc1cccc(OC3CCCC3)c1)C2 257281028 ONIXWTSULVMBQA-GOSISDBHSA-N 407.562 3.475 0 40 HGAB NC(=O)C[C@@]1(COc2ccccc2)CCCN(S(=O)(=O)c2cccc(Cl)c2)C1 257342053 ZMWLSJPACMZORP-FQEVSTJZSA-N 422.934 3.065 0 40 HGAB CC[C@@H](C(=O)N[C@H](C)c1ccccc1OC)N(c1ccccc1F)S(C)(=O)=O 260810860 KSCRRJJTXUEORB-PBHICJAKSA-N 408.495 3.256 0 40 HGAB Cc1ccc(C)c(N([C@H](C)C(=O)NCCc2ccc(Cl)cc2)S(C)(=O)=O)c1 260841827 DIOFGYJRLAUAGM-MRXNPFEDSA-N 408.951 3.470 0 40 HGAB O=C(NC[C@@H]1CCCO1)c1nc([C@H]2CCCN2C(=O)c2ccccc2)n2ccccc12 306136232 PNPBAHJSSDOLJL-AZUAARDMSA-N 418.497 3.220 0 40 HGAB CCc1ccc(NC(=O)N2CC[C@]3(COCC[C@@H]3NC(=O)N3CCCC3)C2)cc1 306137296 QRZQNUAKJXZMDH-SIKLNZKXSA-N 400.523 3.067 0 40 HGAB 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JHUBBVHAYYXZOQ-CYBMUJFWSA-N 414.487 3.442 0 40 HGAB COc1ccc([C@@H]2CC(c3cccc(NS(C)(=O)=O)c3)=NN2C(=O)C(C)C)cc1 4036090 MAVFUPYBXPGVDY-FQEVSTJZSA-N 415.515 3.400 0 40 HGAB O=C(CSc1ccc2nnc(-c3ccncc3)n2n1)NCc1ccccc1Cl 4328089 ALZOYOJNFUTPEM-UHFFFAOYSA-N 410.890 3.248 0 40 HGAB COc1ccc(C)cc1NC(=O)c1nnn(Cc2ccc(Br)cc2)c1N 4852376 JBIRYGCCZHSIHS-UHFFFAOYSA-N 416.279 3.240 0 40 HGAB CCN(Cc1nc(-c2ccc(OC)c(OC)c2)no1)C(=O)c1ccc2c(c1)OCO2 4943830 HKQSOQUWSCVUQF-UHFFFAOYSA-N 411.414 3.145 0 40 HGAB Cc1ccc(C)c(N2N=C(C(=O)N3CCN(c4ccccc4F)CC3)CCC2=O)c1 5939169 SWVSVHAOXWTXGW-UHFFFAOYSA-N 408.477 3.274 0 40 HGAB Cc1[nH]c2ccccc2c1[C@@H]1c2ccccc2C(=O)N1CC(=O)NC[C@@H]1CCCO1 6279898 CYEARHVJOBIBGM-HJPURHCSSA-N 403.482 3.317 0 40 HGAB COc1ccc(C)cc1/C=C/C(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 7061448 OAHSQVXVKBSRHS-PKNBQFBNSA-N 400.500 3.440 0 40 HGAB Cc1ccc([C@H](NCC(=O)N2CCN(c3ccccn3)CC2)c2cccs2)cc1 7753503 ROFABABSJVEZNL-QHCPKHFHSA-N 406.555 3.479 0 40 HGAB 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Cc1cc(C)n([C@@H](C)CCNC(=O)c2cc(-c3cnn(C)c3)nc3onc(C)c23)n1 36619028 ZTHBDECSIFAYAW-ZDUSSCGKSA-N 407.478 3.126 0 40 HGAB CCOc1ccc([C@@H]2[C@@H](C(=O)Nc3ccccc3)[C@H](C)Nc3ncnn32)cc1OC 36701686 HJXMRPJZDVINSI-PNHOKKKMSA-N 407.474 3.344 0 40 HGAB COc1nn(C)cc1C(=O)N(C[C@@H]1CCCO1)c1nc2c(C)ccc(C)c2s1 38840306 MBKPCAIFHRMBPY-AWEZNQCLSA-N 400.504 3.481 0 40 HGAB Cc1cc(NC(=O)C2=NN(Cc3ccccc3)C(=O)CC2)n(Cc2ccccc2)n1 40132770 UOJRFPAZWFANEP-UHFFFAOYSA-N 401.470 3.357 0 40 HGAB COc1ccc(-c2nc(C)c(C(=O)N[C@@H](CCSC)C(=O)O)s2)cc1OC 40313046 RYSTZYXIJMQRBL-LBPRGKRZSA-N 410.517 3.072 0 40 HGAB biogenic COc1ccc(OC)c(N2CCN(CC(=O)Nc3ccc(OC)c(Cl)c3)C2=O)c1 49392168 ONZAYBQSJCQKEK-UHFFFAOYSA-N 419.865 3.247 0 40 HGAB C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@H](CN4CCN(c5ccccc5)CC4)[C@H]3[C@@H](O)[C@@]21C 61997538 MAJIMOBMGHQQSS-DHRDOYSISA-N 410.558 3.094 0 40 HGAB biogenic CC(C)CNC(=O)CSc1nnc(-c2ccc3c(c2)OCCCO3)n1C1CC1 64987298 CDBUWVYIOIICPU-UHFFFAOYSA-N 402.520 3.306 0 40 HGAB CCOc1ccc(NC(=O)c2nnn(CC(=O)Nc3cc(C)ccc3C)c2C)cc1 71327311 KEZKNONGWIGNPJ-UHFFFAOYSA-N 407.474 3.493 0 40 HGAB CCS(=O)(=O)N1CCC[C@@H]1c1nc(C)c2c(n1)N(Cc1ccc(F)cc1)CCC2 72373812 ASGJDBFVYHYGTH-LJQANCHMSA-N 418.538 3.364 0 40 HGAB CC(C)=C[C@@H]1[C@H](C(=O)N2CCC(C(=O)NCCCN3CCCCC3)CC2)C1(C)C 78714439 WJNORECRZSHEOY-NHCUHLMSSA-N 403.611 3.456 0 40 HGAB COc1ccc(CN2C[C@H](C(=O)N(C)c3nnc(-c4ccccc4)s3)CC2=O)cc1 79019218 WFKRPVILYBLYPS-QGZVFWFLSA-N 422.510 3.225 0 40 HGAB COC(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N(Cc2ccco2)C12CCCCC2 79489824 LJYYMHWXZZPRPA-FQEVSTJZSA-N 410.470 3.011 0 40 HGAB COC1(CNC(=O)c2c(C)nn(-c3ccc(Br)cc3)c2C)CCOCC1 84014234 RQENREYKGAKGTF-UHFFFAOYSA-N 422.323 3.177 0 40 HGAB CC(C)n1c2ccccc2c2c1cc(C(=O)N1CCCN(C)CC1)n2C(=O)N(C)C 96146428 LXUBKZFLKAOLAR-UHFFFAOYSA-N 409.534 3.484 0 40 HGAB CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCCc1cc(Cl)c2c(c1)OCCO2 97000872 BLHCDAIELXINIQ-INIZCTEOSA-N 412.914 3.319 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(C(=O)/N=c2/sc3cccc(C)c3n2C)cc1 100821247 UCZWVTMZWJBCGH-QZQOTICOSA-N 417.556 3.320 0 40 HGAB CCOC(=O)c1ccc(NC(=O)[C@@H](CC(C)C)N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)cc1 170612390 JISFDOMZXOEMIN-LHDHZVESSA-N 424.497 3.024 0 40 HGAB CCOC(=O)c1ccc(NC(=O)[C@H](CC(C)C)N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)cc1 170612391 JISFDOMZXOEMIN-HHUCQEJWSA-N 424.497 3.024 0 40 HGAB CCN(Cc1nc(-c2cccs2)no1)C(=O)CCCN1C(=O)c2ccccc2C1=O 219140965 QMIXBBMUMGWGJK-UHFFFAOYSA-N 424.482 3.223 0 40 HGAB C[C@@H](C(=O)NCc1ccc(F)cc1)N(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 220202550 SFMIZSQEFDLLHY-LBPRGKRZSA-N 418.412 3.315 0 40 HGAB CNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCCOc1ccc(OC)cc1 222618055 IUGUJWQQBNXZTP-INIZCTEOSA-N 402.466 3.157 0 40 HGAB CC(C)Oc1ccc(CNC(=S)Nc2cccc(N(C)S(C)(=O)=O)c2)cc1 225446604 FHMMLHMIZNIMPV-UHFFFAOYSA-N 407.561 3.356 0 40 HGAB CC[C@H](NC(=O)CN(Cc1ccccc1)S(C)(=O)=O)c1ccc(OC)c(C)c1 225714219 OZCDKUJRTFCWEG-IBGZPJMESA-N 404.532 3.033 0 40 HGAB CC(C)n1cc2c(n1)C1(CCN(C(=O)N(C)C)CC1)CN(C(=O)Cc1ccccc1)C2 306124692 BWUWZVIAYCYGRW-UHFFFAOYSA-N 423.561 3.064 0 40 HGAB CC(C)Cn1cnc2c1C1(CCN(C(=O)c3ccnn3C)CC1)Oc1ccccc1-2 306125327 CMQFDTXSRAKFBQ-UHFFFAOYSA-N 405.502 3.464 0 40 HGAB COC(=O)c1cccc(NC(=O)[C@@H](C)N(c2cc(C)cc(C)c2)S(C)(=O)=O)c1C 408545906 PLGDWHWSILBWOI-MRXNPFEDSA-N 418.515 3.192 0 40 HGAB CCOC(=O)COc1ccccc1/C=C1\NC(=O)N(Cc2ccc(Cl)cc2)C1=O 408937520 QYGMRYDHTCVZGC-BOPFTXTBSA-N 414.845 3.375 0 40 HGAB COC(=O)CN1C(=O)/C(=C/c2ccccc2OCc2cccc(C)c2)N(C)C1=S 409216016 DALVGISCOKXSPR-PDGQHHTCSA-N 410.495 3.147 0 40 HGAB Cc1ccc(C(=O)NCc2nnc(SCC(=O)Nc3cc(C)ccc3C)n2C)cc1 409329970 JFYSKTXDUOOKBN-UHFFFAOYSA-N 423.542 3.401 0 40 HGAB O=C(CCC(=O)N1CCC(c2ccccc2)=N1)N1CCO[C@]2(CCc3ccccc32)C1 511012349 GWHXVXUVVHUEJD-RUZDIDTESA-N 417.509 3.104 0 40 HGAB CO[C@@H]1CN(CC(=O)Nc2nc(-c3ccc(F)cc3)c(C)s2)C[C@]12CCCO2 585266398 ZSBXLBNAHCCCSQ-OXQOHEQNSA-N 405.495 3.076 0 40 HGAB C[C@H](NC(=O)c1ccc(Cl)c(N2CCCC2=O)c1)C1(N2CCOCC2)CCCC1 673940311 SMBPBJJTTUIRPM-INIZCTEOSA-N 419.953 3.230 0 40 HGAB COc1ccc(NC(=O)c2cnn3c2CN(C(=O)c2cc(C4CC4)on2)CCC3)cc1 1565556208 PTDIZMODBLOXID-UHFFFAOYSA-N 421.457 3.056 0 40 HGAB NC(=O)C1CCN(C(=O)C2CCN(Cc3cc(Cl)cc4ccccc34)CC2)CC1 1653160629 QCXWZVQRCQXXQQ-UHFFFAOYSA-N 413.949 3.429 0 40 HGAB Cc1ccc(-n2c(CCc3ccccc3)nnc2SCC(=O)N2CCOCC2)cc1 687287 DFHOMOAZWZYCSC-UHFFFAOYSA-N 422.554 3.312 0 40 HGAB Cc1ccc(-c2nnn(CC(=O)Nc3cccc(-c4c[n+]5ccccc5[nH]4)c3)n2)cc1 797034 UXDPBJQTNNENEH-UHFFFAOYSA-O 410.461 3.021 0 40 HGAB CCOc1ccccc1-n1c(N)c(C(=O)OCCOC)c2nc3ccccc3nc21 2219661 LXJSBSIKUBBVQY-UHFFFAOYSA-N 406.442 3.358 0 40 HGAB CCCNC(=O)c1c(N)n(-c2cc(OC)ccc2OC)c2nc3ccccc3nc12 2389981 ABVWVYUSJMCMPF-UHFFFAOYSA-N 405.458 3.313 0 40 HGAB COc1cc(OC)c(C(=O)OCC(=O)Nc2ncc(Cl)cc2Cl)cc1OC 3260323 VKUJLURIQANQTK-UHFFFAOYSA-N 415.229 3.210 0 40 HGAB CCN(CC)S(=O)(=O)c1cc(C(=O)NCCc2ccc(OC)cc2)ccc1Cl 3372646 OCSMPMAEZBTHMJ-UHFFFAOYSA-N 424.950 3.352 0 40 HGAB O=C(CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O)c1ccc(Br)s1 3379882 PNGVMXHRNCFBDA-GOSISDBHSA-N 419.300 3.477 0 40 HGAB COc1ccc(/C=C/C(=O)NC2CCCCC2)cc1S(=O)(=O)N1CCCCC1 3549282 OSTVJONUBWVVOI-ACCUITESSA-N 406.548 3.332 0 40 HGAB O=C(C1=NN(c2ccccc2)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]12)c1ccccc1 3849258 LOOKZQOQPJDIAB-PZJWPPBQSA-N 413.408 3.443 0 40 HGAB biogenic S=C(NCCCCCNC(=S)NCc1ccccc1)NCc1ccccc1 4507828 ZRXAGOAZIXHTOT-UHFFFAOYSA-N 400.617 3.485 0 40 HGAB CCn1c(SCC(=O)NC2CCCC2)nnc1[C@@H](C)NC(=O)c1ccccc1F 4735968 FCUQPLFMTMLXIR-CYBMUJFWSA-N 419.526 3.079 0 40 HGAB CCCC(=O)N1CCC[C@H](c2nc(O)c3nnn(Cc4cc(C)ccc4C)c3n2)C1 5642763 YBEKTLIEKMIFNY-INIZCTEOSA-N 408.506 3.098 0 40 HGAB COc1ccccc1OCCNC[C@@H](O)COc1c(O)ccc2[nH]c3ccccc3c12 6019308 RWDSIYCVHJZURY-MRXNPFEDSA-N 422.481 3.444 0 40 HGAB in-vitro Cc1ccc(C(=O)NC(=S)Nc2ncc(I)cc2C)cc1 6573310 ISJLZGBRAUTAFI-UHFFFAOYSA-N 411.268 3.430 0 40 HGAB COc1ccc(NS(=O)(=O)c2ccc(OC)c(C(=O)N3CCC(C)CC3)c2)cc1 7363445 IANUBXRXSVZRBC-UHFFFAOYSA-N 418.515 3.377 0 40 HGAB O=C(CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O)N[C@@H]1CCSc2ccccc21 7988399 XLUVFOHOUKUQCW-JPYJTQIMSA-N 421.522 3.123 0 40 HGAB Cc1cccc(OCCSc2nc3ccccc3n2CC(=O)N2CCOCC2)c1 8586867 VILXNYZHZIBTMZ-UHFFFAOYSA-N 411.527 3.375 0 40 HGAB CCn1nc(C(=O)OCCOc2ccc(Br)cc2)c2ccccc2c1=O 9364214 INZLTCMDPFVTNO-UHFFFAOYSA-N 417.259 3.415 0 40 HGAB Cc1cc(NC(=O)c2ccco2)n(-c2ncnc3c2cnn3-c2ccc(F)cc2)n1 9661239 YELFTUUPLGGMNK-UHFFFAOYSA-N 403.377 3.294 0 40 HGAB O=C(CCCS(=O)(=O)c1ccccc1)Nc1nc2cc3c(cc2s1)OCCO3 10218387 XMPSXZLXELEUIY-UHFFFAOYSA-N 418.496 3.260 0 40 HGAB O=C(COC(=O)Cc1ccc(N2CCCC2=O)cc1)Nc1cccc2ncccc12 11256636 VGJFAGMNCZBGIG-UHFFFAOYSA-N 403.438 3.086 0 40 HGAB O=S(=O)(Nc1ccccc1NS(=O)(=O)c1cccs1)c1cccs1 11851890 KQFBQYPBJUJUGR-UHFFFAOYSA-N 400.528 3.411 0 40 HGAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccc(N2CCN(C)CC2)cc1 12557715 JCWAYUSCMVZWHA-QHCPKHFHSA-N 404.514 3.341 0 40 HGAB CNS(=O)(=O)c1cccc(C(=O)NCc2ccc(-c3csc(C)n3)s2)c1 12801132 OUUMLXQDLDWPAS-UHFFFAOYSA-N 407.542 3.018 0 40 HGAB Cc1ccc(NC(=O)NC(=O)[C@H](C)N(C)CC(=O)Nc2cccc(F)c2)c(C)c1 12870916 AVKXRFMSOHZIPE-HNNXBMFYSA-N 400.454 3.050 0 40 HGAB CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)c2cccc(C(F)(F)F)c2)cc1 13097938 XKIFGKKXUTXZIU-LBPRGKRZSA-N 400.422 3.495 0 40 HGAB Cc1cc(Br)ccc1SCC(=O)NCC(C)(C)N1CCOCC1 14165022 ZCLOOBHRYNRWQR-UHFFFAOYSA-N 401.370 3.077 0 40 HGAB C[C@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)Nc3cccc4ccccc34)CC2)C1 14185842 SHPDKDIWBQNISE-KDURUIRLSA-N 408.546 3.494 0 40 HGAB CCOc1ccc(-c2cc(C(=O)N3CCN(c4cccc(OC)c4)CC3)n[nH]2)cc1 15679383 XNQHLWPYKMRODW-UHFFFAOYSA-N 406.486 3.446 0 40 HGAB COC[C@@H]1OC[C@]2(C)[C@@H](CC[C@@]3(C)[C@H](CC(=O)N4CCC(C)CC4)[C@H](O)CC[C@H]32)O1 15709441 AVRMOARZFACRAL-LBYRQTAISA-N 423.594 3.216 0 40 HGAB biogenic,in-vitro COc1ccccc1CCC(=O)N1CCN(CC(=O)Nc2cccc(C)c2C)CC1 18147828 DBMHACWTXOBPKP-UHFFFAOYSA-N 409.530 3.028 0 40 HGAB O=c1cc(C2CCN(Cc3cncc4c(Cl)n[nH]c34)CC2)nc(-c2cccnc2)[nH]1 19340899 MDYHTQSKKUYEGA-UHFFFAOYSA-N 421.892 3.136 0 40 HGAB CCC[C@@H](c1nnnn1C(C)(C)CC)N1CCN(Cc2ccc3c(c2)OCO3)CC1 19501857 KWKZPIBIJQHZMP-SFHVURJKSA-N 414.554 3.206 0 40 HGAB CCN1CCN(C(=O)[C@H]2CCCO2)C[C@@H](Cc2cccc(-c3ccccc3)c2)C1=O 19527481 XXOBSAULWGKMNY-DHIUTWEWSA-N 406.526 3.382 0 40 HGAB CN(C)C(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CCN(C(=O)c2cnccn2)C1 19580248 VQLOCACCOTYDKX-QHCPKHFHSA-N 420.538 3.368 0 40 HGAB Cc1nc2ncnn2c(C)c1CCC(=O)N1CCN(Cc2ccc(C(C)C)cc2)CC1 19618210 TXISLIPHSSIDCD-UHFFFAOYSA-N 420.561 3.142 0 40 HGAB CCOC(=O)[C@H]1C(=O)N(CCCOC)c2nc3ccccc3n2[C@@H]1c1cccs1 19818339 QRKXYFWLIXHTCD-QZTJIDSGSA-N 413.499 3.250 0 40 HGAB O=C(CN(C1CCCCC1)S(=O)(=O)c1ccccc1)NCc1ccc(F)cc1 20010280 IOOJSMWBOLVXAR-UHFFFAOYSA-N 404.507 3.466 0 40 HGAB CN1C[C@@H](NC(=O)CC(C)(C)CC(=O)O)C[C@H]1c1nc(-c2ccc(Cl)cc2)no1 20464162 BIKVKDZDFZJXLW-GJZGRUSLSA-N 420.897 3.142 0 40 HGAB biogenic,in-vitro CCOC(=O)[C@@](NC(=O)c1ccc(OC)cc1)(Nc1ccc(C)cn1)C(F)(F)F 20502742 PVYFBVHAHBKXAG-SFHVURJKSA-N 411.380 3.062 0 40 HGAB CO[C@]1(C)NC(=S)N[C@H](c2ccc(OC(F)F)cc2)[C@@H]1C(=O)Nc1ccccc1 20551644 PQZNVBQHTQSSSF-QINHECLXSA-N 421.469 3.424 0 40 HGAB COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccccc2)cc1 22267579 OGXXFBMODBLXCL-OAQYLSRUSA-N 410.495 3.224 0 40 HGAB c1cc(-c2noc(CN3CCN(Cc4nc(-c5ccsc5)no4)CC3)n2)cs1 22942994 BUNKFHYMBWIWFU-UHFFFAOYSA-N 414.516 3.227 0 40 HGAB COc1ccc(O[C@@H](C)C(=O)Nc2ccnn2Cc2ccc(OC)cc2OC)cc1 23024298 XISCOUCHNRJDSV-HNNXBMFYSA-N 411.458 3.363 0 40 HGAB Cc1csc(CC(=O)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)n1 23805439 GQZZZDYRUPQTNU-UHFFFAOYSA-N 404.845 3.410 0 40 HGAB CCN(CC(=O)Nc1ccc2c(c1)OCCO2)CC(=O)N(CC)C1=CCCCC1 24213412 GZOUJDSTMLUBCB-UHFFFAOYSA-N 401.507 3.025 0 40 HGAB O=S1(=O)CC[C@H](N(Cc2ccccc2)Cc2nc(O)c3ccc(Cl)cc3n2)C1 24294143 GIEHWXKMEMYVSC-INIZCTEOSA-N 417.918 3.178 0 40 HGAB O=C(NCc1ccc(CN2CCCC2)cc1)N1CCN(C(=O)c2cccs2)CC1 24831519 UTOUOHONUGPBCF-UHFFFAOYSA-N 412.559 3.012 0 40 HGAB Cc1c(C(=O)Nc2nc(CN3C[C@H](C)O[C@H](C)C3)cs2)[nH]c2c1C(=O)CCC2 25058902 DDYLCSVCFCBLQZ-TXEJJXNPSA-N 402.520 3.160 0 40 HGAB O=C(c1cc2cc(Br)ccc2[nH]1)N1CCN(C(=O)N2CCCCC2)CC1 25673426 CTXGFDQMYOMBQD-UHFFFAOYSA-N 419.323 3.294 0 40 HGAB COc1ccc(OC)c([C@H](C)NC(=O)CSc2nnc(C3CCCCC3)n2N)c1 27117805 NGBKEWNNPQKDNA-ZDUSSCGKSA-N 419.551 3.026 0 40 HGAB Cc1nn(Cn2ccc(C(=O)NCc3ccc(F)cc3)n2)c(C)c1Br 27973749 AUJRLUVCRGLPQI-UHFFFAOYSA-N 406.259 3.034 0 40 HGAB Cc1nn(C)c(C)c1NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 29953412 JWZZCQOCJSLPGS-UHFFFAOYSA-N 402.451 3.229 0 40 HGAB Cc1nn(-c2ccc(Cl)cc2)c(C)c1S(=O)(=O)Nc1ccc(C(N)=O)cc1 36358483 SQQDPPFAUSQNQU-UHFFFAOYSA-N 404.879 3.042 0 40 HGAB O=C(Cc1ccc(NC(=O)[C@@H]2COc3ccccc3O2)cc1)NCc1cccs1 38678452 QLYGTMNOMGBGJC-FQEVSTJZSA-N 408.479 3.386 0 40 HGAB C[C@H]1C[C@@H](C)CN(Cc2csc(NC(=O)C3CCN(C(=O)C4CC4)CC3)n2)C1 40037701 YMRQDVDTDGEMJU-GASCZTMLSA-N 404.580 3.208 0 40 HGAB O=C(COc1ccc2c(c1)CCC(=O)N2)Nc1ccc(-n2cnc3ccccc32)nc1 40069943 KGISOYFDPNUTNH-UHFFFAOYSA-N 413.437 3.323 0 40 HGAB CC(C)n1nccc1NC(=O)[C@H](C)N1CCC(NC(=O)Nc2ccc(F)cc2)CC1 40154190 ZOAKPPNIURIJIT-HNNXBMFYSA-N 416.501 3.216 0 40 HGAB Cc1nn(-c2ccc3nnc(C)n3n2)c2c1[C@H](c1ccc(F)c(F)c1F)CC(O)=N2 40283215 DMDFOPGSZCRDPH-NSHDSACASA-N 413.363 3.468 0 40 HGAB COc1ccc2nc(C)c(C(=O)NCc3ccc(N4CCO[C@H](C)C4)nc3)cc2c1 46717386 DYEWLINVUKBKGN-OAHLLOKOSA-N 406.486 3.102 0 40 HGAB CCOC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(-c3csc(C)n3)s2)C1 48044628 OPYVHQBCXVJKLU-LBPRGKRZSA-N 400.547 3.144 0 40 HGAB CCOC(=O)Cc1csc(NC(=O)c2cc(F)ccc2NC(=O)N2CCCC2)n1 49551717 VRCSQTQUUCYEBT-UHFFFAOYSA-N 420.466 3.268 0 40 HGAB Cc1ccc(-n2c(=O)c3sccc3n(CC(=O)Nc3ccccc3)c2=O)c(C)c1 57493014 KDEZTVHAMQXWTE-UHFFFAOYSA-N 405.479 3.469 0 40 HGAB COCCOc1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3cc(C)cc(C)c3)C2)cn1 58441733 DKMYTBSFGPQEBL-GOSISDBHSA-N 411.502 3.215 0 40 HGAB COc1ccc(S(=O)(=O)NC[C@](O)(c2ccccc2)C(F)(F)F)cc1Cl 70636509 GCIQROSSRRRBJR-HNNXBMFYSA-N 409.813 3.077 0 40 HGAB O=S(=O)(c1cc(F)cc(F)c1)c1cnc2ccc(F)cc2c1N1CCC[C@H]1CO 71775291 TWUPUMXXCTWNGL-HNNXBMFYSA-N 422.428 3.446 0 40 HGAB NC(=O)c1ccc(-c2cnc(N)nc2[C@H]2CCCN(C(=O)C3CCCCC3)C2)cc1 72345985 CGXKBEWYMRIBKN-SFHVURJKSA-N 407.518 3.111 0 40 HGAB COc1ccc(C(=O)OC2CN(c3nc4c(OC)cccc4s3)C2)c(OC)c1 77200590 IHWSVPGUFFSDIP-UHFFFAOYSA-N 400.456 3.368 0 40 HGAB O=C(NCc1cccnc1)[C@@H]1c2ccccc2C(=O)N(C[C@@H]2CCCO2)C12CCCC2 95472559 FDSOWTJJLYPGRC-UGKGYDQZSA-N 419.525 3.429 0 40 HGAB C[C@H](C(=O)NCCc1nc(-c2ccccc2)cs1)n1cnc2ccccc2c1=O 96118494 BRCCBSSGBJVGJN-OAHLLOKOSA-N 404.495 3.440 0 40 HGAB Cc1cccc(C)c1N(CN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O)C(=O)C(F)(F)F 100396362 NAYGKMWJHAHOFD-KWRZAIAESA-N 418.415 3.209 0 40 HGAB CO[C@H]1CC[C@H](C(=O)N2CCC[C@@H](Cn3nc(-c4cccs4)ccc3=O)C2)CC1 100723038 UWTARQCMGPDIPD-KURKYZTESA-N 415.559 3.416 0 40 HGAB CCc1cc(=O)oc2cc(O[C@@H](C)C(=O)NC[C@H]3CC[C@H](C(=O)O)CC3)ccc12 100766672 PFJDIEDFCSXTMD-OFQRWUPVSA-N 401.459 3.130 0 40 HGAB COc1ccc([C@H]2C=C(C(=O)O)Nc3c(C(=O)Nc4cccc(C)c4)cnn32)cc1 101298323 BMXBYWNJLCGUOR-LJQANCHMSA-N 404.426 3.436 0 40 HGAB CN(Cc1nccn1CC(F)(F)F)C[C@@H]1C(=O)Nc2cc(Br)ccc21 102027504 FDPNFVAZXKZZJI-LBPRGKRZSA-N 417.229 3.376 0 40 HGAB Cc1ccc(S(=O)(=O)Oc2cccc(N3C(=O)[C@@H]4[C@H]5CC[C@@H](C5)[C@H]4C3=O)c2)cc1 102634403 JNTCXBPGPSVBAU-IQGAEYHTSA-N 411.479 3.298 0 40 HGAB COc1ccc(-c2nn([C@@H]3CC(=O)[C@H]4OC[C@H]3O4)c(=S)n2-c2ccccc2)cc1 108207574 CCQGEQHRADNQBZ-POAQFYNOSA-N 409.467 3.334 0 40 HGAB CCOCCCNC(=O)/C(=C/c1c[nH]c2ccc(OC)cc12)NC(=O)c1ccccc1 215697310 FQQBMWJUEZCUJS-HMAPJEAMSA-N 421.497 3.490 0 40 HGAB COC[C@@]1(C(N)=S)[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218652930 FEMCYQTXYCHKMX-SOLBZPMBSA-N 413.923 3.338 0 40 HGAB O=C(NCCSCc1ccco1)c1cccc(S(=O)(=O)N2CCCCC2)c1 219981989 AFDZETVPZPKOKB-UHFFFAOYSA-N 408.545 3.117 0 40 HGAB O=C(O)c1ccccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)o1 223593123 RHHOOODGKJRMNF-MOPGFXCFSA-N 409.467 3.005 0 40 HGAB CCOCCCNC(=O)c1cc(N(C)S(=O)(=O)c2ccccc2)ccc1Cl 224333760 FARDMNQICJAFOF-UHFFFAOYSA-N 410.923 3.322 0 40 HGAB CCOc1ccc(C(=O)N2CCC(C(N)=O)CC2)cc1COc1cccc(OC)c1 224591259 UPBUMCNCCMESJH-UHFFFAOYSA-N 412.486 3.010 0 40 HGAB C[C@H](Oc1cccc2c1CCCC2)C(=O)Nc1ccccc1C(=O)N1CCOCC1 224795871 PDJJLHZGHWPLSO-KRWDZBQOSA-N 408.498 3.444 0 40 HGAB O=C([C@H]1C[C@H]2C=C[C@H]1C21CC1)N1CCC(N2CCN(Cc3ccccc3)CC2)CC1 247832342 LNDGNLVQHRSQSL-YFNKSVMNSA-N 405.586 3.398 0 40 HGAB CNC(=O)c1sc2nc([C@]3(C)CCCN(C(=O)C4CCCC4)C3)ccc2c1N 257238592 HLSKANVPNGVXDC-OAQYLSRUSA-N 400.548 3.308 0 40 HGAB NC(=O)C[C@H]1CN(C(=O)Cc2cccc(Cl)c2)CC[C@@H]1Oc1ccc(F)cc1 257276374 NTKGRFWLWHYDMQ-KXBFYZLASA-N 404.869 3.193 0 40 HGAB O=C(NCCN1CCOCC1)C1(Cc2ccccc2-c2cccs2)CCOCC1 257337759 YUFNBUMDECFJJL-UHFFFAOYSA-N 414.571 3.203 0 40 HGAB COc1ccc(-c2nnc3n(c2=O)CC[C@@]32CCN(Cc3cc(C)cc(C)c3)C2)cc1 306134401 NMCNPGIGXIISCO-RUZDIDTESA-N 416.525 3.478 0 40 HGAB CCCNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1cc(Cl)ccc1Cl 408586668 AXMGWJKIGMLKLB-INIZCTEOSA-N 415.342 3.409 0 40 HGAB CC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1C 408621017 KSTGSDPWJVYYLV-KRWDZBQOSA-N 416.543 3.430 0 40 HGAB C[C@@H](NC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccccc1)c1ccccc1 408708454 IBXTUKMBLFUSSF-QGZVFWFLSA-N 401.466 3.433 0 40 HGAB O=C1COC[C@@H](C[C@H]2CN(C(=O)CCn3ccc4ccccc43)c3ccccc32)N1 519656776 BYPVFNUCFNOHQS-RBUKOAKNSA-N 403.482 3.067 0 40 HGAB O=C(CSCc1ccccc1)N1CC[C@@H](Oc2ncc(Br)cn2)C1 585147147 ODIWYVLIOHOENP-OAHLLOKOSA-N 408.321 3.152 0 40 HGAB Brc1ccc(-c2nc(=Nc3cnn(C[C@H]4CCCO4)c3)cc[nH]2)cc1 1184915646 ATEVVEKZSUAKEX-MRXNPFEDSA-N 400.280 3.447 0 40 HGAB COc1ccc(CC(=O)N2CCC(n3nc(-c4ccccc4)ccc3=O)CC2)cc1 1775971950 ZWNCHUIFYAXBSV-UHFFFAOYSA-N 403.482 3.325 0 40 HGAB CC(C)(C)c1cc(C(=O)N2CC[C@H]3CN(c4cc(C(F)(F)F)ccn4)C[C@@H]32)[nH]n1 2087144442 CKOJYVQPLKWSHT-WFASDCNBSA-N 407.440 3.472 0 40 HGAB COc1ccc(NC(=O)CSc2nnc(-c3ccccc3C)n2N)cc1Cl 2438452 CDSMYTQLMAAJSZ-UHFFFAOYSA-N 403.895 3.360 0 40 HGAB COC(=O)c1c(NC(=S)NC(=O)c2ccnn2C)sc2c1CCCCCC2 2452772 QBIJRCKYLOVFJF-UHFFFAOYSA-N 406.533 3.054 0 40 HGAB COc1cc(/C=C/C(=O)OCC(=O)N2CCCc3ccccc32)cc(OC)c1OC 3304350 AYTPUVQCSZQHKA-ZHACJKMWSA-N 411.454 3.248 0 40 HGAB O=C(COc1cc(Cl)c(Cl)cc1Cl)N1CCN(c2ncccn2)CC1 3353146 HQNMNLRFCKEEJP-UHFFFAOYSA-N 401.681 3.164 0 40 HGAB CSCC[C@@H]1NC(=O)N(CC(=O)N[C@@H](C)c2ccc(-c3ccccc3)cc2)C1=O 3398589 VWMXSZGVHYIXLH-KXBFYZLASA-N 411.527 3.204 0 40 HGAB COCCn1c(SCC(=O)N[C@H](C)c2ccc(F)cc2)nc2ccccc2c1=O 3449767 LGLKMTHUBYPTAF-CQSZACIVSA-N 415.490 3.152 0 40 HGAB O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1)NC[C@H]1CCCO1 3465773 JAWNIPXQBONAHH-GOSISDBHSA-N 412.490 3.461 0 40 HGAB COc1cc(C(=O)NCCc2nc(-c3ccc(Cl)cc3)no2)cc(OC)c1OC 4502210 RHZXFNMHRVQEKB-UHFFFAOYSA-N 417.849 3.388 0 40 HGAB O=C1N[C@]2(Nc3sc4c(c31)CCCC4)C(=O)Nc1ccc(Br)cc12 4694725 OSYSDHWPPCJXSS-QGZVFWFLSA-N 404.289 3.350 0 40 HGAB CC(=O)[C@H](NC(=O)CSc1nnc2c3ccccc3n(C)c2n1)c1ccccc1 4999566 VQMCPJFNUPHENP-SFHVURJKSA-N 405.483 3.055 0 40 HGAB COC[C@@H](C)n1c(C)cc(C(=O)CSc2nnnn2-c2cccc(F)c2)c1C 5220110 ALONUUCJTHBGRS-CYBMUJFWSA-N 403.483 3.402 0 40 HGAB O=C(c1ccc(F)cc1)[C@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@H]2CCCN21 5338796 IPYORVPWOXDUSZ-NCXUSEDFSA-N 412.848 3.314 0 40 HGAB CCOC(=O)c1cccc(NC(=O)N2CC[C@@H](CC(=O)NC3CC3)[C@@H](CC)C2)c1 5414902 ORVJVUWETWFVFJ-HOTGVXAUSA-N 401.507 3.412 0 40 HGAB biogenic,in-vitro C[C@H](NC(=O)CSc1nncn1-c1ccccc1F)c1ccc2c(c1)OCO2 6129500 RMPCLFWYNIEILA-LBPRGKRZSA-N 400.435 3.105 0 40 HGAB Cc1cccc(NC(=S)N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)c1 6334908 FUPLQTZTCKERMX-XNTDXEJSSA-N 401.557 3.310 0 40 HGAB C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)NCc3cccc(Cl)c3)cc2)C[C@H](C)O1 6377522 YMTXINHYMWJEDV-GJZGRUSLSA-N 422.934 3.068 0 40 HGAB Cc1cccc(Nc2nnc(SCC(=O)Nc3sccc3C(N)=O)s2)c1 6789293 ICDPEZNBUSDHEV-UHFFFAOYSA-N 405.530 3.481 0 40 HGAB Cc1ccc(C(=O)CN2C(=O)N[C@](C)(c3cccc(Br)c3)C2=O)s1 7388898 BDMHBMMXQQQJLL-QGZVFWFLSA-N 407.289 3.469 0 40 HGAB COc1cc(/C=C(/C(=O)N2CCOCC2)c2nc3ccccc3[nH]2)cc(Cl)c1O 7488844 NVOBBOSKQKWOOJ-GXDHUFHOSA-N 413.861 3.330 0 40 HGAB Cc1ccc(SCCNC(=O)[C@@H](NS(=O)(=O)c2ccccc2F)C(C)C)cc1 7979690 XCSDNLUODRLAIN-IBGZPJMESA-N 424.563 3.346 0 40 HGAB O=C(NCCC12CC3CC(CC(C3)C1)C2)c1ccc(S(=O)(=O)NC2CC2)cc1 7990578 BCOHLXOYWBGGMW-UHFFFAOYSA-N 402.560 3.464 0 40 HGAB Cc1n[nH]c(=O)c2c(NC(=O)COC(=O)c3c(Cl)cccc3Cl)oc(C)c12 8012822 GDXQWZNYMOZLRR-UHFFFAOYSA-N 410.213 3.235 0 40 HGAB COc1ccc(S(=O)(=O)NCc2ccc(C)cc2)cc1C(=O)N1CCCCCC1 8405149 SFIIWLNOWFVMKO-UHFFFAOYSA-N 416.543 3.498 0 40 HGAB CCN(CC)CCOC(=O)c1ccc(NC(=O)c2ccc(OC)cc2OC)cc1 8714246 DMBQTZJKUPKOOG-UHFFFAOYSA-N 400.475 3.455 0 40 HGAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN1CCC(C(=O)Nc2ccccc2)CC1 8937946 WLZNWZCIOKHQAD-QGZVFWFLSA-N 420.513 3.101 0 40 HGAB COC(=O)[C@H](CCSC)NC(=O)N1CCC(c2nc3ccccc3s2)CC1 9418491 IDMFYQVOISLVGD-HNNXBMFYSA-N 407.561 3.480 0 40 HGAB COc1ccccc1-c1noc(CN2C(=O)N[C@](C)(c3ccc4c(c3)CCC4)C2=O)n1 9608983 CFFYHIIPWOVYJL-HSZRJFAPSA-N 418.453 3.201 0 40 HGAB CCn1c(C)cc(O)c(C(c2cccc(OC)c2)c2c(O)cc(C)n(CC)c2=O)c1=O 10217739 LREZCZIZMZLCMS-UHFFFAOYSA-N 424.497 3.267 0 40 HGAB CNS(=O)(=O)c1cc(C(=O)NCCOc2ccc3ccccc3c2)cc(C)c1C 10996033 LWNKPYQZSRKFNR-UHFFFAOYSA-N 412.511 3.174 0 40 HGAB O=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1cccnc1)NC1CCCCC1 11696060 AKPINEBRTLUJOW-UHFFFAOYSA-N 421.950 3.375 0 40 HGAB O=C1CC[C@@H](C(=O)NC[C@H]2Cc3cccc(-c4ccccc4C(F)(F)F)c3O2)N1 12029836 BGCIBBJNESGHRL-DYVFJYSZSA-N 404.388 3.071 0 40 HGAB CCN(CC)[C@@H](CNC(=O)COc1cccc(N2CCCC2=O)c1)c1ccccc1 12819052 HVSMNPVMPATYNA-QFIPXVFZSA-N 409.530 3.392 0 40 HGAB COc1cc(C(=O)Nc2ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)ccc1C 12819353 IDZZDXYNCRZWBF-HZPDHXFCSA-N 418.515 3.054 0 40 HGAB CCOC(=O)C1=NO[C@@H](CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)C1 12859388 XDCSTGSSHSWVIM-MRXNPFEDSA-N 422.890 3.243 0 40 HGAB O=C(CN1CCc2ccccc21)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 13030198 RIMYCWDKJUANLF-UHFFFAOYSA-N 424.854 3.465 0 40 HGAB Cc1ccc2oc(C(=O)N3CCC[C@@H]3c3cc4nc(C)cc(O)n4n3)cc(=O)c2c1 13227562 KWCDMLWWLFOTPN-MRXNPFEDSA-N 404.426 3.135 0 40 HGAB CC[C@@H](C(=O)NCc1ccccc1OC)N(c1cccc(Cl)c1)S(C)(=O)=O 13712185 MZXWUHUMDPARKN-KRWDZBQOSA-N 410.923 3.210 0 40 HGAB CCOC(=O)c1ccc(NC(=O)Cn2cc(-c3ccc(F)cc3)[n+]3c2CCC3)cc1 13768210 LNICOOJNIZCOQN-UHFFFAOYSA-O 408.453 3.343 0 40 HGAB Cc1nn(CC(=O)N2CCc3ccccc32)c(=O)c2c1cnn2-c1cccc(Cl)c1 13970622 SKEQPZFLRVEDHS-UHFFFAOYSA-N 419.872 3.133 0 40 HGAB CCS(=O)(=O)N(CC(=O)Nc1ccc(Cl)cc1C)c1ccc2c(c1)OCCO2 14397947 JSMPJKMBHGRURA-UHFFFAOYSA-N 424.906 3.214 0 40 HGAB COc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)Nc1ccccc1SC 16188469 VYVDRANRXNDOAG-UHFFFAOYSA-N 414.936 3.330 0 40 HGAB CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)c1cc(F)c(F)cc1Cl 17912694 ATPHLXNWYGJKCK-UHFFFAOYSA-N 423.847 3.166 0 40 HGAB CC(C)(C)C(=O)[C@H]1[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2[C@H]2c3ccccc3C=NN21 18022255 HKQYLAYSKYCYSL-IYWMVGAKSA-N 401.466 3.180 0 40 HGAB COc1ccc(-c2nc(C(=O)N3CCN(c4ccccn4)CC3)cs2)cc1OC 18945586 UOXOWYWJMPUTNN-UHFFFAOYSA-N 410.499 3.185 0 40 HGAB Cc1cc2c(cc1CN1CCC([C@H](NC(=O)C(F)F)c3ccccn3)CC1)OCO2 19125524 IZBXWIVYGCNIOY-FQEVSTJZSA-N 417.456 3.453 0 40 HGAB CN(C)c1ncc(-c2cccc(F)c2)c([C@H]2CCCN(CC(=O)N3CCCC3)C2)n1 19694666 FQCLEQAYPOAESG-SFHVURJKSA-N 411.525 3.151 0 40 HGAB CNc1nc([C@H]2CCCN2C(C)=O)nc2c1CCN(Cc1ccc(C)cc1OC)C2 19707444 FVLQMPRVSAWQOY-HXUWFJFHSA-N 409.534 3.077 0 40 HGAB Cc1cc(C)n(C)c(=O)c1C(=O)N1CCC(CC(=O)N[C@H](C)c2ccccc2)CC1 19748554 VHVZMWCAYOGAQX-GOSISDBHSA-N 409.530 3.122 0 40 HGAB O=C(NCc1ccc(Cl)cc1)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 19857194 JJGAOSRGNDUWGV-GOSISDBHSA-N 406.935 3.198 0 40 HGAB COc1ccc(N([C@@H](C)C(=O)N[C@@H](C)c2ccc(C)cc2C)S(C)(=O)=O)cc1 20483260 AURDZEPFQXJYTQ-IRXDYDNUSA-N 404.532 3.344 0 40 HGAB O=C(c1cccc(N2C(=O)CCC2=O)c1)N1CCN(Cc2ccc(Cl)s2)CC1 22089138 FBXTXUJLCTXWEP-UHFFFAOYSA-N 417.918 3.013 0 40 HGAB COc1ccc([C@@H]2CCCN2C(=O)CNC(=O)NCc2ccc(F)cc2)c(OC)c1 22386601 SDCZAHJMKVDLPE-IBGZPJMESA-N 415.465 3.006 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(Br)c(C(=O)N[C@H](C)C(C)C)c1 22684947 YFDLEWSRGOXYBH-GFCCVEGCSA-N 405.358 3.254 0 40 HGAB O=C(c1ccc(-c2ccccc2Cl)o1)N1CCC[C@@H](C(=O)N2CCOCC2)C1 22975763 GQCITOJVJMRMBF-OAHLLOKOSA-N 402.878 3.311 0 40 HGAB O=C(c1ccco1)N1CCN(C[C@H](O)COc2ccc3oc4ccccc4c3c2)CC1 25330105 MEAPPSPXOTTZOF-KRWDZBQOSA-N 420.465 3.377 0 40 HGAB CCN(CC)[C@H](CNC(=O)Cn1c(=O)cnc2ccccc21)c1ccccc1Cl 27578667 OLKLUYYZXGGHCV-HXUWFJFHSA-N 412.921 3.249 0 40 HGAB CN(C)S(=O)(=O)c1ccc(-c2csc(NC(=O)COc3ccccc3)n2)cc1 27663432 UTWVHYNQNBBBFD-UHFFFAOYSA-N 417.512 3.078 0 40 HGAB CC(=O)Nc1cc(NC(C)=O)cc(C(=O)O[C@@H](C)C(=O)Nc2ccc(C)cc2C)c1 27909291 GSDALAGQNLYFOB-AWEZNQCLSA-N 411.458 3.404 0 40 HGAB Cc1ccc(CN2C[C@@H](C(=O)OCC(=O)Nc3ccc(Cl)cc3)CC2=O)cc1 28609568 KKFJYJPQRMWSAX-INIZCTEOSA-N 400.862 3.179 0 40 HGAB CCn1c(=O)[nH]c(=O)c2cc(C(=O)N(C)[C@H](C)c3ccc(Cl)cc3Cl)cnc21 30316447 WAGBHKGOOQLJLN-SNVBAGLBSA-N 421.284 3.245 0 40 HGAB Cc1nc(CN2CCN(C(=O)Cc3csc(Cc4ccccc4)n3)CC2)cs1 31261209 NIOJKLMETVEPMA-UHFFFAOYSA-N 412.584 3.386 0 40 HGAB O=C(NC1CCN(Cc2ccccc2)CC1)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 32074645 ZQIMOHWIJKBCEN-SFHVURJKSA-N 411.933 3.474 0 40 HGAB O=S1(=O)C[C@@H]2N=C(SCc3cccc(F)c3)N(c3ccc(F)cc3F)[C@H]2C1 32639874 STMQTLQGKSBTPU-RDJZCZTQSA-N 412.458 3.379 0 40 HGAB CC(=O)c1cccc(N2C(SCc3ccc(C)cc3)=N[C@H]3CS(=O)(=O)C[C@@H]32)c1 32640766 UYYNHENIARTZJS-PMACEKPBSA-N 414.552 3.473 0 40 HGAB O=C(CSc1nc2ccccc2n1CC(=O)N1CCCCC1)NCc1ccco1 35312093 MAWKIAQZFYGGOF-UHFFFAOYSA-N 412.515 3.050 0 40 HGAB COc1cc(-c2c3c(nc4cc5c(cc24)OCCO5)COC3=O)c(OC)c2c1OCO2 35326489 HGMMIOXEDFDHIX-UHFFFAOYSA-N 423.377 3.089 0 40 HGAB O=C(CN1C(=O)CCOc2ccccc21)Oc1ccc(OCc2ccncc2)cc1 40150598 OGHNERNTUBQXQV-UHFFFAOYSA-N 404.422 3.382 0 40 HGAB COC(=O)c1cc(NC(=O)C2=NN(Cc3ccc(F)cc3)C(=O)CC2)c(F)cc1F 44466403 GMDIKQSSMNOQQG-UHFFFAOYSA-N 419.359 3.008 0 40 HGAB COCCOC(=O)c1c(C)[nH]c(C(=O)Nc2ccccc2-n2nc(C)cc2C)c1C 47090237 DCOACZNJYZOSHN-UHFFFAOYSA-N 410.474 3.490 0 40 HGAB Cc1cc(N2CCN([C@H](C)C(=O)N3c4ccccc4C[C@@H]3C)CC2)nc(C(C)C)n1 48236332 OZJWRVQGYYCTTL-RBUKOAKNSA-N 407.562 3.397 0 40 HGAB Cc1cccc(N2CCN(Cc3nnnn3-c3ccc(C(F)(F)F)cc3)CC2)c1 54173026 QIAWDSADYHUEPR-UHFFFAOYSA-N 402.424 3.312 0 40 HGAB COc1ccc(C(=O)NC(=S)Nc2cccc(NC(=O)C(C)C)c2)c(OC)c1 57312839 SZHWQITWDKDNHY-UHFFFAOYSA-N 401.488 3.425 0 40 HGAB C[C@H]1CN(CCCNC(=O)N(C)Cc2csc(Br)c2)C[C@@H](C)O1 57481380 UUCDHYIKTKUAKP-BETUJISGSA-N 404.374 3.151 0 40 HGAB O=C(OCC(=O)N1c2ccccc2CCc2ccccc21)c1cc2c([nH]c1=O)CCC2 61449919 HGFKRLXUSGAYCR-UHFFFAOYSA-N 414.461 3.484 0 40 HGAB CCCCNC(=O)Cn1c(=O)cc(-c2nc(-c3ccccn3)no2)c2ccccc21 67318615 PZUFIMRYAFDAQK-UHFFFAOYSA-N 403.442 3.030 0 40 HGAB COc1ccc2[nH]c3c(c2c1)CN(C(=O)CCCn1cnc2ccccc2c1=O)CC3 72326017 JXOSSZUCOUFPAH-UHFFFAOYSA-N 416.481 3.252 0 40 HGAB biogenic Cc1cc(-c2cnc3cc(C)nn3c2[C@H]2CCCN(C(=O)c3cccnc3)C2)on1 72342936 XNZWEGCPQAHXEQ-KRWDZBQOSA-N 402.458 3.416 0 40 HGAB CCN1C(=O)c2ccccc2C(=O)[C@@]2(C)CN(Cc3ccc(OC)c(OC)c3)C[C@@H]12 72395489 PMNJTVBSRFJVOQ-QPPBQGQZSA-N 408.498 3.253 0 40 HGAB CCOc1ccccc1NC(=O)Nc1cnc(N2CCN(c3ccccn3)CC2)nc1 77196683 WRMDPVCLPIUBNY-UHFFFAOYSA-N 419.489 3.241 0 40 HGAB O=C1CN(c2ccc(NC(=O)[C@@H]3C[C@H]3c3cccc(Cl)c3Cl)cn2)CCN1 78876064 SOJTYIKDTJQJEQ-UONOGXRCSA-N 405.285 3.067 0 40 HGAB COc1cccc([C@H](CNC(=O)c2ccc3nnc(C(F)F)n3c2)N2CCCC2)c1 83970550 ARJMOUFHYFQGBC-KRWDZBQOSA-N 415.444 3.242 0 40 HGAB Cc1cccc([C@@H]2CCCN2C(=O)C(=O)Nc2cc(C)ccc2S(C)(=O)=O)c1 95367696 YVEFXDRIVSPYFP-SFHVURJKSA-N 400.500 3.009 0 40 HGAB CCc1ccc(N([C@H](C)C(=O)NCCCc2ccccc2OC)S(C)(=O)=O)cc1 220283107 ZJAOFUWZPDVENJ-QGZVFWFLSA-N 418.559 3.161 0 40 HGAB CC[C@H](C(=O)N[C@H](C)c1ccc(C)cc1)N(c1ccc(OC)cc1)S(C)(=O)=O 220657475 VPMQEQHVXREGBT-OXQOHEQNSA-N 404.532 3.426 0 40 HGAB COC(=O)c1ccc(Cl)c(NC(=O)c2cccc(N(C)S(C)(=O)=O)c2C)c1 222434507 KQHCIQKJVBJINQ-UHFFFAOYSA-N 410.879 3.083 0 40 HGAB Cc1cc(C)cc(OCCNC(=O)[C@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)c1 224071690 LVRLORWAUBFDTL-INIZCTEOSA-N 424.950 3.307 0 40 HGAB CC(=O)N1CCc2cc(S(=O)(=O)Nc3nnc(-c4ccc(C)cc4)s3)ccc21 224490954 UTLNTLHGTNOWKE-UHFFFAOYSA-N 414.512 3.223 0 40 HGAB Cc1ccc(OCCNS(=O)(=O)c2ccc3c(c2)sc(=O)n3C(C)C)cc1 225715806 DUFXJKCNFLXGDL-UHFFFAOYSA-N 406.529 3.310 0 40 HGAB CCCOc1ccc(N(CC(=O)N[C@@H](C)c2ccccc2OC)S(C)(=O)=O)cc1 225795374 GHBJLWDINXJADP-INIZCTEOSA-N 420.531 3.127 0 40 HGAB COc1ccc(N(C)C(=O)CN(C)S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 226036163 IRFUNOPLQJIKQX-UHFFFAOYSA-N 417.314 3.286 0 40 HGAB NC(=O)c1ccc(-c2cccc([C@H]3CN(C(=O)CCc4ccccc4)CCO3)n2)cc1 257323365 WJWIENQKIMXRTP-HSZRJFAPSA-N 415.493 3.380 0 40 HGAB COc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NCC(C)C)c2)cc1OC 408597473 WVINTVOVJLSIOH-UHFFFAOYSA-N 406.504 3.199 0 40 HGAB COC(=O)[C@H]1C(=O)Nc2sc(C(=O)c3ccccc3)c(N)c2[C@H]1c1ccccc1 409123159 FHJBRZOMFPCGID-GDBMZVCRSA-N 406.463 3.435 0 40 HGAB COc1ccc(/C=C2\SC(=O)N(CC(=O)N3CCCC[C@@H]3C)C2=O)c(OC)c1C 409202254 QGGLRCQXQVKJDK-MFVBVHDHSA-N 418.515 3.450 0 40 HGAB NC(=O)[C@@H]1CCCN(Cc2ccccc2NC(=O)c2cc(-c3ccc(F)cc3)[nH]n2)C1 522195651 YAHWKDWZUIRKKQ-QGZVFWFLSA-N 421.476 3.165 0 40 HGAB COc1ccc2c(ccn2Cc2nc(-c3ccc(N4CCCN(C)CC4)nc3)no2)c1 680735485 DVSPNKFDOVHTJP-UHFFFAOYSA-N 418.501 3.285 0 40 HGAB Cc1cc(C)n(-c2cc(N3CCN(c4ncccc4C(F)(F)F)CC3)nc(C)n2)n1 1889152054 HJNDMHNCYZVVRU-UHFFFAOYSA-N 417.439 3.328 0 40 HGAB O=C(C1=NO[C@@]2(CCCN(Cc3ccc(F)cc3F)C2)C1)N1CC(F)(C2CC2)C1 2056226526 TWIAWUSSDKYQTJ-FQEVSTJZSA-N 407.436 3.036 0 40 HGAB O=S(=O)(C1CCCCC1)N1CC[C@H]2CN(c3cc(C(F)(F)F)ccn3)C[C@H]21 2086896810 IWIWBCDDGQOAHO-XJKSGUPXSA-N 403.470 3.273 0 40 HGAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCc1ccc(S(N)(=O)=O)cc1 1071136 MORHEOIWXDXTMC-UHFFFAOYSA-N 423.853 3.020 0 40 HGAB CC[C@H](C)C(=O)Nc1ncc2c(n1)C[C@H](c1cc(OC)c(OC)c(OC)c1)CC2=O 2217004 RPCFHTWQSUMJDC-STQMWFEESA-N 413.474 3.400 0 40 HGAB COc1ccc(NC(=O)CSc2nnc(-c3ccccc3F)n2N)cc1Cl 2366162 LWZCYOGGJTWYDS-UHFFFAOYSA-N 407.858 3.191 0 40 HGAB O=C(CSc1nc2ccsc2c(=O)n1Cc1ccccc1F)N1CCCC1 2908944 JQGVJTFJTFEWKO-UHFFFAOYSA-N 403.504 3.360 0 40 HGAB COCCCNC(=S)N(Cc1cccnc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O 4127465 VZAOSCIGTGGUIO-UHFFFAOYSA-N 424.570 3.453 0 40 HGAB Cc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)cc1 4742357 XONYKGIVWCKATK-INIZCTEOSA-N 408.545 3.216 0 40 HGAB Cc1c(CC(=O)NCc2ccc3c(c2)OCO3)c(=O)oc2cc(O)c(Cl)cc12 4742968 CKQUERKZTZUUTQ-UHFFFAOYSA-N 401.802 3.048 0 40 HGAB CCOc1ccc(NC(=O)NC2CCN(CC(=O)N[C@H]3CCCC[C@@H]3C)CC2)cc1 4909359 XAKRQMQQJBGDEX-UWJYYQICSA-N 416.566 3.366 0 40 HGAB CCOC(=O)c1sc(NC(=O)[C@@H]2CC(=O)N(c3ccc(OCC)cc3)C2)nc1C 4943355 RJVLVIGNAXYUSV-CYBMUJFWSA-N 417.487 3.019 0 40 HGAB CCCc1nc2sc3c(N(C[C@@H](C)O)C[C@@H](C)O)ncnc3c2c2c1CCC2 5164501 OXIQFCWVIVQPRX-CHWSQXEVSA-N 400.548 3.249 0 40 HGAB Cc1c(CC(=O)Nc2ccc3c(c2)OCCO3)c(=O)oc2cc(O)c(Cl)cc12 5351037 CJHHTIKGKYERQE-UHFFFAOYSA-N 401.802 3.413 0 40 HGAB COc1cccc(CC(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCCCC3)c2)c1 5578772 AXSANDBUXYARIF-UHFFFAOYSA-N 418.515 3.060 0 40 HGAB CCOc1ccc(OCCC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)cc1 7699015 OQOVXLFENLXLMB-UHFFFAOYSA-N 418.515 3.277 0 40 HGAB CNS(=O)(=O)c1cc(NC(=O)c2c(C)nn(Cc3ccccc3)c2C)ccc1C 8127742 JKYVPFONGVVQAL-UHFFFAOYSA-N 412.515 3.017 0 40 HGAB CCN(CC)CCCn1c(S[C@@H](C)C(=O)NC(C)C)nc2ccccc2c1=O 8247134 KELXTSJOFIXTRQ-INIZCTEOSA-N 404.580 3.134 0 40 HGAB CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)Cc1cccc2ccccc12 8342799 FLFKCNNOBWIBRV-UHFFFAOYSA-N 411.527 3.337 0 40 HGAB CC(=O)Nc1cc(NC(C)=O)cc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)c1 8366781 UEDAZBYMPCXNBB-FQEVSTJZSA-N 423.469 3.352 0 40 HGAB O=C(COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1)NCc1cccnc1 8764414 IQCYILGQRPSDHY-UHFFFAOYSA-N 402.406 3.256 0 40 HGAB biogenic CCCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N(CC)CCO3)cc1 8961640 QNTVLVQKTHOPAZ-UHFFFAOYSA-N 404.488 3.131 0 40 HGAB O=C(COCC(=O)N1CCN(c2ccccc2)CC1)Nc1cccc(Cl)c1Cl 9805874 WSNVYTCGIZVODP-UHFFFAOYSA-N 422.312 3.297 0 40 HGAB C[C@H](Sc1nnc(-c2cc3c(s2)CC[C@H](C(C)(C)C)C3)n1C)C(=O)NC(N)=O 9944401 RGMPSLVHFMCZRO-JQWIXIFHSA-N 421.592 3.370 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3c(F)cccc3F)C2)cc1C 9974526 XMXRDMZLEJDVQM-AWEZNQCLSA-N 424.469 3.321 0 40 HGAB CCOC(=O)c1sc(NC(=O)CCS(=O)(=O)c2ccc(OC)cc2)cc1C 10219506 UNMOIPDZZKFTFC-UHFFFAOYSA-N 411.501 3.044 0 40 HGAB CNC(=O)c1ccc(S(=O)(=O)N2CCC(CCc3ccc(OC)cc3)CC2)cc1 10672098 LVCNLCNDMAVWNJ-UHFFFAOYSA-N 416.543 3.088 0 40 HGAB CC(=O)Nc1ccc(NC(=O)CCNS(=O)(=O)c2ccc3ccccc3c2)cc1 12759115 FAJVWKWEKHBCOF-UHFFFAOYSA-N 411.483 3.105 0 40 HGAB CN(Cn1nc(Nc2ccccc2Cl)sc1=S)[C@@H]1CCS(=O)(=O)C1 12815659 OFLDQTIOMSXRLN-SNVBAGLBSA-N 404.970 3.147 0 40 HGAB CCOC(=O)c1cc(-c2ccc(OC(F)F)cc2)nc2nc(SC)[nH]c(=O)c12 13125407 VFAXCFPSTDJQNU-UHFFFAOYSA-N 407.398 3.485 0 40 HGAB CCSc1nnc(NC(=O)[C@@H](C)NC(=O)Cc2cccc3ccccc23)s1 14247013 QDDGGAGADZWFFV-GFCCVEGCSA-N 400.529 3.489 0 40 HGAB CC(C)C(=O)Nc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)cc1 15560755 XDZUZQVUCFBPDM-HNNXBMFYSA-N 423.469 3.044 0 40 HGAB O=C(NC12CC3CC(CC(C3)C1)C2)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 15670048 PXPZAQGEDUQTDI-UHFFFAOYSA-N 416.587 3.313 0 40 HGAB COc1ccc(CCNC(=O)CCn2c(=O)oc3cc(Cl)ccc32)cc1OC 16601340 QEAYQROVTVVSIB-UHFFFAOYSA-N 404.850 3.014 0 40 HGAB Cc1nc(-c2ccc(CNC(=O)c3cc(C)c(C)c(S(N)(=O)=O)c3)s2)cs1 16775523 KXFSJNQCTPWUDQ-UHFFFAOYSA-N 421.569 3.374 0 40 HGAB CCC(=O)N1N=C(c2ccc(OC)c(OC)c2)Sc2c1nc(C)n2C(=O)CC 16777374 IORVFFVYELDKGB-UHFFFAOYSA-N 402.476 3.469 0 40 HGAB CCOc1cc(C(=O)OCc2cc(=O)n3ccc(C)cc3n2)ccc1OC(F)F 18357637 XXBRTLKORVGSRN-UHFFFAOYSA-N 404.369 3.360 0 40 HGAB CN(C)Cc1cc(-c2ccc(CNC(=O)c3cc(C(C)(C)C)nn3C)cc2)nn1C 19083818 RFAXBZLOFSIXDB-UHFFFAOYSA-N 408.550 3.110 0 40 HGAB Cc1ccc2c(c1)C(=O)N(CC(=O)Nc1nc(C)c(C)s1)CC1(CCOCC1)O2 19218722 VHEMWZKLJQNXBE-UHFFFAOYSA-N 415.515 3.091 0 40 HGAB O=C(CCc1nc2ccc(Cl)cc2[nH]1)N1CCN(C(=O)c2cccc(F)c2)CC1 19293572 KGJXDPUXZXVPCK-UHFFFAOYSA-N 414.868 3.273 0 40 HGAB COc1cc(C)ccc1CN1CCO[C@@H](c2nccnc2-c2ccc(C(N)=O)cc2)C1 19693278 MTUXBEJAXOOFBU-OAQYLSRUSA-N 418.497 3.133 0 40 HGAB Cc1nn(C)c(C)c1CCNC(=O)CC1CCN(C(=O)CC2CCCCC2)CC1 19748273 FMROXEOZXRHAFP-UHFFFAOYSA-N 402.583 3.295 0 40 HGAB O=C(NCCc1ccccc1)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2Cl)C1 19859624 HHGYGONRJAYLCO-SFHVURJKSA-N 420.962 3.241 0 40 HGAB Cc1cc2cc([C@@H](c3nnnn3C3CCCCC3)N3CCOCC3)c(=O)[nH]c2cc1C 19940771 XGQKUHPNVOEEJF-NRFANRHFSA-N 422.533 3.058 0 40 HGAB Cc1ccc(CC(=O)Nc2ccc(S(=O)(=O)NCC(=O)c3ccccc3)cc2)cc1 20094936 TWUPXIUEVFSMAF-UHFFFAOYSA-N 422.506 3.337 0 40 HGAB CCOC(=O)[C@H]1C(=O)N=C(N2CCc3ccccc3C2)N[C@H]1c1ccc(CC)cc1 20636815 DZNASELIPNGVDN-RTWAWAEBSA-N 405.498 3.014 0 40 HGAB CCOc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccc(C)c(C)c4)ncn3n2)cc1 21027633 FXGPTPYPCFENCN-UHFFFAOYSA-N 417.469 3.212 0 40 HGAB CCOc1cc([C@H]2c3c(-c4cc(C)ccc4O)n[nH]c3C(=O)N2CCCO)ccc1O 21782743 HAKMRKVNXCDSOX-QFIPXVFZSA-N 423.469 3.123 0 40 HGAB C[C@H](OC(=O)CCS(=O)(=O)c1ccc(F)cc1)C(=O)c1c[nH]c2ccccc12 22714234 BMQCXIVWJDABJM-ZDUSSCGKSA-N 403.431 3.285 0 40 HGAB O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 22885180 ULMXSQMJUPRFIU-HXNAPQRPSA-N 408.502 3.002 0 40 HGAB CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)c1ccc(C2SCCCS2)cc1 24678766 MDIKBRKGPOACPM-INIZCTEOSA-N 414.618 3.099 0 40 HGAB Cc1nc(-c2ccco2)nc2sc(C(=O)N3CCN(c4cnccn4)CC3)c(C)c12 25343586 HNQVULSWVCZVGQ-UHFFFAOYSA-N 420.498 3.321 0 40 HGAB Cn1c(COc2ccccc2Cl)nnc1SCC(=O)c1ccc(O)cc1O 25893363 GCEUQFJLWKAFEQ-UHFFFAOYSA-N 405.863 3.434 0 40 HGAB O=C(CCCNC(=O)C12CC3CC(CC(C3)C1)C2)NC[C@H]1COc2ccccc2O1 25984930 SZBBWDIITTXADN-PQLNIDLTSA-N 412.530 3.055 0 40 HGAB Cc1cccc(NC(=O)CSc2nnc(Cc3ccc(C(C)C)cc3)c(=O)n2N)c1 27643108 IKVBREXLVWASFS-UHFFFAOYSA-N 423.542 3.106 0 40 HGAB COc1cc(CC(=O)Nc2cc(C(C)(C)C)nn2[C@H]2CCS(=O)(=O)C2)ccc1C 28622252 AJJVSNXDMLKZOW-INIZCTEOSA-N 419.547 3.038 0 40 HGAB CC1(C)NC(=O)N(CCOC(=O)COc2ccc(-c3ccccc3)cc2Cl)C1=O 30786709 CHQMWXUOCLICBG-UHFFFAOYSA-N 416.861 3.259 0 40 HGAB Cc1ccc(-n2nc(C)cc2NC(=O)Cn2cnc3sc4c(c3c2=O)CCC4)cc1 31628780 DLEZLXWRQDUOOY-UHFFFAOYSA-N 419.510 3.388 0 40 HGAB COc1ccc(NC(=O)[C@H]2CC(=O)Nc3c(C)c(-c4ccc(OC)cc4)nn32)cc1 32091437 MAQWJXHZYHGVNB-GOSISDBHSA-N 406.442 3.398 0 40 HGAB Cc1noc2nc(-c3ccco3)cc(C(=O)NCc3ccccc3Cn3cncn3)c12 33107242 SBHBDTCPZZDTON-UHFFFAOYSA-N 414.425 3.361 0 40 HGAB O=C(NCc1ccc(F)cc1)c1cc(-c2cccs2)n([C@@H]2CCS(=O)(=O)C2)n1 33325355 IHGISMSPDHGHHV-OAHLLOKOSA-N 419.503 3.040 0 40 HGAB COCCNC(=O)c1ccccc1NC(=O)C1CCN(Cc2ccc(C)cc2)CC1 39765902 QMPNBTAVEXSULH-UHFFFAOYSA-N 409.530 3.222 0 40 HGAB COc1ccc([C@@H]2C(C(=O)OC(C)(C)C)=C(C)Nc3nnnn32)cc1Br 45896096 KLVOGSUHRYKELB-CQSZACIVSA-N 422.283 3.075 0 40 HGAB CN(Cc1ccccc1N1CCOCC1)C(=O)CSc1ccc2c(c1)OCCO2 48325254 BTMZECOMUAHLES-UHFFFAOYSA-N 414.527 3.045 0 40 HGAB CCCNC(=O)c1ccc2c(c1)ncc(=O)n2CC(=O)Nc1ccc(C)c(Cl)c1 49007988 UBTAFSCYWXFKMJ-UHFFFAOYSA-N 412.877 3.137 0 40 HGAB O=C(CNc1ccc(SC(F)F)cc1)N1CCN(C(=O)c2cccs2)CC1 57644929 NVWMBMSARMGJCR-UHFFFAOYSA-N 411.499 3.459 0 40 HGAB CC1(C)CC[C@H](NC(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)c2ccccc21 60205395 QHWSLVPPJDWHIY-CPJSRVTESA-N 417.509 3.309 0 40 HGAB CCOc1ccccc1N1CCN(C(=O)c2n[nH]nc2Nc2ccc(CC)cc2)CC1 67284209 CQILVWNTYDLJRS-UHFFFAOYSA-N 420.517 3.472 0 40 HGAB CN(C[C@H](O)COc1ccc(C(F)(F)F)cc1)C(=O)[C@@H]1CCOc2ccccc21 72310398 SUAMSCJAPPSFHR-MAUKXSAKSA-N 409.404 3.470 0 40 HGAB Cc1nnc(NC(=O)CCC(=O)N[C@H]2CCCc3c2cnn3Cc2ccccc2)s1 72396275 GKXFNJJIYXTEGT-KRWDZBQOSA-N 424.530 3.004 0 40 HGAB Cc1noc(-c2ccc(N3CCC[C@@H](C(=O)Nc4ccc5c(c4)OCCO5)C3)nc2)n1 77100760 BVLKVPVCFNFXAZ-MRXNPFEDSA-N 421.457 3.066 0 40 HGAB CSc1ccc([C@@H](O)CNS(=O)(=O)c2ccccc2OC(F)(F)F)cc1 96103237 HWGXDYOAXQYNLJ-ZDUSSCGKSA-N 407.435 3.319 0 40 HGAB CC(C)[C@H](NC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)c1nc2ccccc2[nH]1 96222508 RTZOVNDMYPQIPN-CAMMJAKZSA-N 415.563 3.102 0 40 HGAB biogenic COc1ccc(CN2[C@H]3CC[C@H]2c2c(nc(C)nc2NC[C@@H]2CCCO2)C3)cc1CO 100222992 JFZBOIGZVMQSDI-ZJOUEHCJSA-N 424.545 3.139 0 40 HGAB COc1ccc(C2=NO[C@H]3C(=O)N(c4ccc5ccccc5c4)C(=O)[C@H]23)c(OC)c1 101359084 OCDKRZKEVHNGKR-TZIWHRDSSA-N 402.406 3.150 0 40 HGAB CC1=C([C@@H]2CC(=O)N(c3ccccc3)C2=O)CC[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]12 101670463 ALCZTTLSWRLVRM-RZUBCFFCSA-N 414.461 3.482 0 40 HGAB COc1ccc(C2=NO[C@H]3C(=O)N(c4cccc(C(F)(F)F)c4)C(=O)[C@H]23)cc1OC 102894831 FIZFELCGKLUBJV-NVXWUHKLSA-N 420.343 3.015 0 40 HGAB COc1ccc(CNS(=O)(=O)c2ccc3c(c2)CCC(C)(C)O3)c(OC)c1OC 223706518 PYAAYSPGPIPIHS-UHFFFAOYSA-N 421.515 3.295 0 40 HGAB Cc1cc(C)cc(OCCNS(=O)(=O)c2ccc(N3CCCC3=O)c(C)c2)c1 224088354 BTSMZLSDWGZPNQ-UHFFFAOYSA-N 402.516 3.096 0 40 HGAB COC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 224795038 OJCSVZGNODQQPO-UHFFFAOYSA-N 407.488 3.196 0 40 HGAB CCN(c1ccc(Cl)c(C(=O)OC)c1)S(=O)(=O)c1ccc2c(c1)OCCO2 224842184 HOOJRLYQBAZBME-UHFFFAOYSA-N 411.863 3.113 0 40 HGAB CC[C@H](NC(=O)CN(c1cccc(C)c1)S(C)(=O)=O)c1ccc(OC)c(C)c1 225467613 PVZSUZGAGBZITP-IBGZPJMESA-N 404.532 3.346 0 40 HGAB Cc1ccc(CNS(=O)(=O)c2nnc(NC(=O)c3ccc(Cl)cc3)s2)cc1 225781757 NVBNLMPKJAHZIE-UHFFFAOYSA-N 422.919 3.231 0 40 HGAB COc1ccc(CC(=O)NC[C@](O)(c2ccsc2)c2cccs2)cc1OC 238909455 SBVRHQWEOBFKNY-FQEVSTJZSA-N 403.525 3.422 0 40 HGAB O=C(O)CCC/C=C/C[C@H]1[C@H](/C=C/[C@H](O)COc2cccc(Cl)c2)[C@@H](O)C[C@H]1O 247434422 VJGGHXVGBSZVMZ-PVHCAJHJSA-N 424.921 3.195 0 40 HGAB CN(C(=O)c1c[nH]nc1C1CCN(C(=O)C[C@@H]2CCCCO2)CC1)C1CCCCC1 257218431 DDDAXZXWWHFJMV-IBGZPJMESA-N 416.566 3.480 0 40 HGAB CCc1ncc(CN2CCC[C@H](Cc3cc(Nc4cc(C)n[nH]4)nc(C)n3)C2)cn1 257233427 GPFFRJXSLFSBDQ-QGZVFWFLSA-N 406.538 3.367 0 40 HGAB Cc1ccc(-c2nnc([C@H]3CC[C@H](CNC(=O)c4ccc(C)n(C)c4=O)CC3)o2)cn1 257259632 KZGOIHXPFQVKLQ-QAQDUYKDSA-N 421.501 3.151 0 40 HGAB CCS(=O)(=O)N1C[C@H](C(=O)N[C@H](C)c2cc(C)c(C)cc2C)Oc2ccccc21 260943060 SXSSBMUQPCOVIH-DYESRHJHSA-N 416.543 3.406 0 40 HGAB CN1CC[C@@H](COCc2ccccn2)CC12CN(C(=O)c1cc3ccccc3[nH]1)C2 306126817 FGBLYYGGKNDFMA-GOSISDBHSA-N 404.514 3.316 0 40 HGAB COc1ccc(OC)c(NS(=O)(=O)c2ccc(C)c(C(=O)N3CCCC3)c2)c1 408603454 KBHDZUHPSPLDEA-UHFFFAOYSA-N 404.488 3.049 0 40 HGAB CCOc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)CC)Cc2ccccc2)cc1 408621690 NUCLHWRCEFDIEH-KRWDZBQOSA-N 404.532 3.191 0 40 HGAB CCCC[C@H](C(=O)OCC(=O)Nc1cccc(OC)c1)N1C(=O)c2ccccc2C1=O 408664943 QAHQTUGMILSSAW-LJQANCHMSA-N 424.453 3.032 0 40 HGAB CCn1c(CNC(=O)c2ccc(C)cc2)nnc1SCC(=O)Nc1ccccc1 409331863 OZDABAYCSTUOKO-UHFFFAOYSA-N 409.515 3.267 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC(C(=O)NC3CCCCC3)CC2)cc1Cl 409359675 XKBZSOIPAOIGRD-UHFFFAOYSA-N 414.955 3.198 0 40 HGAB O=C(N[C@@H]1CCC[C@H]1Cc1ccccc1)C(=O)N(CCO)[C@H]1CCc2ccccc21 502951921 VKXBOWQEPFASSI-WWNPGLIZSA-N 406.526 3.022 0 40 HGAB O=C(CN1CCN(c2ccc(C3CC3)nn2)CC1)Nc1cccc(C(F)(F)F)c1 575618439 BJVGKCRUCBWXOY-UHFFFAOYSA-N 405.424 3.134 0 40 HGAB CCOC1(c2nc([C@H]3CCCO3)no2)CCN(C(=O)Cc2ccccc2OC)CC1 583615934 RYLXOIACQJTWLK-GOSISDBHSA-N 415.490 3.027 0 40 HGAB CC(C)(C)c1ccc(OC[C@@H]2CCN(C(=O)C[C@H]3COc4ccccc4O3)C2)nn1 1888879505 UZSNUDCZHJTIIX-SJORKVTESA-N 411.502 3.232 0 40 HGAB CCOc1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1 784606 XHVKLDDREALJEZ-KRWDZBQOSA-N 402.516 3.433 0 40 HGAB COc1ccc(C(=O)Nc2ccccc2N2CCN(C(=O)C(C)C)CC2)cc1OC 812024 DBHUNRHNJWZWQT-UHFFFAOYSA-N 411.502 3.261 0 40 HGAB COc1ccc2nc(N3CCCCC3)c(/C=C3\C(=O)N=C(S)N3C(C)=O)cc2c1 1293619 YSUSOZARZSVROM-LDADJPATSA-N 410.499 3.249 0 40 HGAB CSC[C@H](NC(=O)Cc1c(C)c2cc3c(C)c(C)oc3c(C)c2oc1=O)C(=O)O 2117367 YCCXTEZSQLIRGU-INIZCTEOSA-N 417.483 3.248 0 40 HGAB biogenic CC(C)Cc1nc2oc3c(NCCOCCO)ncnc3c2c2c1COC(C)(C)C2 2353967 KZJMDTORVFAUNV-UHFFFAOYSA-N 414.506 3.242 0 40 HGAB Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)OCC(=O)c4ccc[nH]4)cc3C2=O)c1 2640669 NPWQPIIVXZNEDN-UHFFFAOYSA-N 402.406 3.472 0 40 HGAB O=C(COC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)Nc1ccc(SC(F)F)cc1 2653022 SHZPNSXHVHYPON-LBPRGKRZSA-N 424.425 3.125 0 40 HGAB CCN(CC(=O)NCc1ccc(F)cc1)S(=O)(=O)c1ccc2ccccc2c1 2655307 QXILSDJVLVOPGD-UHFFFAOYSA-N 400.475 3.306 0 40 HGAB NC(=O)c1ccc(NC(=O)COC(=O)c2c3c(nc4ccccc24)CCCCC3)cc1 3304196 GRJATOFTNGKONU-UHFFFAOYSA-N 417.465 3.398 0 40 HGAB C[C@@H](CCc1ccccc1)NC(=O)COC(=O)c1cc(Br)ccc1N 4246362 WTIRPFDSZICXBP-ZDUSSCGKSA-N 405.292 3.326 0 40 HGAB O=C(OCCOc1ccc(F)cc1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 4836445 UCHLJXKCRDIJJH-UHFFFAOYSA-N 407.463 3.236 0 40 HGAB CCc1cccc(N(CC(=O)NCc2ccc(OC)cc2)C(=O)c2csnn2)c1 4965278 SIWVCQJDBOYDKZ-UHFFFAOYSA-N 410.499 3.072 0 40 HGAB CCOC(=O)c1c(NC(=O)CN2C(=O)CCC2=O)sc(C)c1-c1ccc(C)cc1 5870541 UBYWVJSUXCGCMI-UHFFFAOYSA-N 414.483 3.296 0 40 HGAB Cc1cccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)c1C 6339987 PIPUJQYTOZUSQD-UHFFFAOYSA-N 408.907 3.230 0 40 HGAB C[C@@H](Sc1nnc(-c2ccco2)n1Cc1ccccc1)C(=O)NC[C@@H]1CCCO1 6785101 ZNFKQXJYFGCRDI-WBVHZDCISA-N 412.515 3.362 0 40 HGAB O=C(COC(=O)CCC(=O)c1ccc2c(c1)CCCC2)NCc1ccc2c(c1)OCO2 7232530 GVTUVRPQSNEBAM-UHFFFAOYSA-N 423.465 3.117 0 40 HGAB CC(=O)c1cccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(Cl)c(Cl)c2)c1 7247289 YOOPMLALAANONB-UHFFFAOYSA-N 415.298 3.455 0 40 HGAB COc1ccc(C)cc1NS(=O)(=O)c1ccc(OC)c(C(=O)N2CCCCC2)c1 7361505 RWNUBNPQWIXXOX-UHFFFAOYSA-N 418.515 3.439 0 40 HGAB COc1cccc(OCc2nnc3n2N=C(c2ccccc2)[C@H](CC(=O)O)S3)c1 8391803 YYYPSNXASYOEMZ-INIZCTEOSA-N 410.455 3.067 0 40 HGAB CCCC[C@@H](C(=O)OCC(=O)N[C@@H](C)c1ccccc1)N1C(=O)c2ccccc2C1=O 8411228 PGAYRUMFXQWMAE-JXFKEZNVSA-N 422.481 3.262 0 40 HGAB O=C(Nc1ccc(S(=O)(=O)NCc2ccncc2)cc1F)c1ccccc1F 8810648 BJMIAKRMESCYCL-UHFFFAOYSA-N 403.410 3.091 0 40 HGAB O=C(Nn1cnc2c(cnn2-c2ccccc2)c1=O)c1cc2cc(F)ccc2s1 9513404 UBALGVMXPGFLCP-UHFFFAOYSA-N 405.414 3.320 0 40 HGAB C[C@@H](C(=O)N1CCN(c2ccccc2)CC1)N(C)Cc1cnn(Cc2ccccc2)c1 9546741 YPVCUPBTNNHGBJ-NRFANRHFSA-N 417.557 3.101 0 40 HGAB O=C(Cc1csc(NC(=O)Nc2cccc(Cl)c2)n1)NCCCn1ccnc1 9649934 DUNHYJQZJFPDFZ-UHFFFAOYSA-N 418.910 3.386 0 40 HGAB O=C(Cn1c(=O)n(Cc2ccc(Cl)cc2)c(=O)c2ncccc21)c1ccccc1 9660698 DAQRHRIDCWYUNW-UHFFFAOYSA-N 405.841 3.143 0 40 HGAB COC(=O)c1ccc2c(=O)[nH]c(COC(=O)c3cc(SC)ccc3Cl)nc2c1 9767878 HODUYDRBAVBZPF-UHFFFAOYSA-N 418.858 3.442 0 40 HGAB COc1ccc(NC(=O)[C@H](C)N(c2cc(C)ccc2C)S(C)(=O)=O)c(OC)c1 10313780 KMXVKWMCSATVHW-HNNXBMFYSA-N 406.504 3.114 0 40 HGAB CCOC(=O)c1cccc(NC(=O)[C@@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)c1 10441288 XUNAIFARMJPLJA-CYBMUJFWSA-N 424.906 3.310 0 40 HGAB O=C(NCc1ccc(C(=O)N2CCCCC2)cc1)c1ccc(N2CCCC2=O)cc1 10459932 TYOAONJSPFBNED-UHFFFAOYSA-N 405.498 3.370 0 40 HGAB Cc1ccsc1CN(C(=O)COc1c(C)cccc1C)[C@@H]1CCS(=O)(=O)C1 12111569 YXIHNQHVDQZTIZ-QGZVFWFLSA-N 407.557 3.268 0 40 HGAB COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)COc1cc(C)ccc1C(C)C 12755953 YSBBVHHHZIXLIS-UHFFFAOYSA-N 423.513 3.409 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC(C(=O)Oc3ccc(C)cc3)CC2)cc1OC 12867711 WNXNHTZSYAMEIH-UHFFFAOYSA-N 419.499 3.019 0 40 HGAB C[C@@H](OC(=O)[C@]12CCC(=O)N1c1ccccc1S2)C(=O)NCC1CCCCC1 12909256 UBZQQCLBPXZHJN-SPLOXXLWSA-N 402.516 3.244 0 40 HGAB O=S(=O)(c1ccc2c(c1)OCCCO2)N1CCN(c2cccc(Cl)c2)CC1 13097678 SDBUDQANHPGRRC-UHFFFAOYSA-N 408.907 3.012 0 40 HGAB COC[C@H](C)NC(=O)c1cnn2c1N[C@H](c1cccc(OC)c1)C[C@H]2C(F)(F)F 13425253 BDYRVECIQXJCEC-UVBJJODRSA-N 412.412 3.317 0 40 HGAB C[C@H](CCc1ccco1)NC(=O)COc1ccc2nc3n(c(=O)c2c1)CCCCC3 13723518 MEXPQUKGIMCDDZ-MRXNPFEDSA-N 409.486 3.232 0 40 HGAB COc1ccc(Cl)cc1NS(=O)(=O)c1ccc(OC)c(C(=O)N2CCCC2)c1 13856258 MHWXGBRUYPBSTN-UHFFFAOYSA-N 424.906 3.394 0 40 HGAB Cc1cc(N2CCN(CC(=O)Nc3ccc(F)c(Cl)c3)CC2)nc(C(C)C)n1 15032305 VOZCMGSDPRWZIR-UHFFFAOYSA-N 405.905 3.462 0 40 HGAB O=C1N=C(O)/C(=C2\C[C@H](c3c[nH]c4ccccc34)NN2)C(=O)N1Cc1ccccc1 17029375 KTEFISUVHHAOMX-JLMFCZBYSA-N 401.426 3.080 0 40 HGAB O=C(NC(=S)Nc1ccc(Br)cc1F)c1ccc2c(c1)OCCO2 17088753 VVZOWFMDUSNROI-UHFFFAOYSA-N 411.252 3.486 0 40 HGAB Cn1nc(C(C)(C)C)cc1C(=O)N1CCC[C@H]1c1nc(O)cc(-c2ccccn2)n1 19083760 FMVWMUNFAWVCRZ-INIZCTEOSA-N 406.490 3.253 0 40 HGAB Cc1cc(-c2cnc(N3CCCC3)nc2[C@@H]2CCCN(C(=O)c3cccnc3)C2)on1 19122167 PNSUAXCNGRJTAG-GOSISDBHSA-N 418.501 3.455 0 40 HGAB Cc1nc(N2CCN(C(=O)c3ccncc3)CC2)c2c3c(sc2n1)C[C@@H](C)CC3 19240629 NSERVXSNVYYJSH-AWEZNQCLSA-N 407.543 3.482 0 40 HGAB CN(CCC(=O)Nc1cccc(N2CCCCS2(=O)=O)c1)c1ccc(F)cc1 19655190 UMWLTXIRYINFEM-UHFFFAOYSA-N 405.495 3.221 0 40 HGAB CCn1cc(CN2CC[C@@H](c3nc(N(C)C)ncc3-c3cccc(OC)c3)C2)cn1 19694994 ZWIWUZRRMGVFGO-LJQANCHMSA-N 406.534 3.424 0 40 HGAB CC[C@H](c1ccc(F)cc1)N(C)C(=O)c1ccc(=O)n(CC(=O)N2CCCCC2)c1 19751067 WSUODCBXVJOFNJ-HXUWFJFHSA-N 413.493 3.223 0 40 HGAB CC(C)NC(=O)COc1ccc(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1 22231991 NAPBTQKHGGZUCV-UHFFFAOYSA-N 410.923 3.210 0 40 HGAB CC1(C)C[C@H](NC(=O)CN(c2ccc(F)c(F)c2)S(C)(=O)=O)c2ccccc2O1 22373115 GAWLPVGFVVIYHP-KRWDZBQOSA-N 424.469 3.149 0 40 HGAB CC1CCC2(CC1)NC(=O)N(CN(C)Cc1ccc(Br)s1)C2=O 22615612 BPMCKTNVRKFNIA-UHFFFAOYSA-N 400.342 3.401 0 40 HGAB O=C(CCC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)c1ccc(Cl)s1 23804760 UMGFKUOGEBZAIG-UHFFFAOYSA-N 420.918 3.438 0 40 HGAB O=C(OCCN1C(=O)c2ccccc2C1=O)c1ccc(COc2ccc(F)cc2)o1 24767288 MMAVGPRRSZIFMZ-UHFFFAOYSA-N 409.369 3.451 0 40 HGAB COc1ccc(CCNC(=O)Nc2ccc(N3CCN(C)CC3)cc2C)cc1OC 25114008 AWZCQKNMWRPOMC-UHFFFAOYSA-N 412.534 3.128 0 40 HGAB CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)NCCN1CCc2ccccc2C1 30363060 PVELFWISLGOPJC-NRFANRHFSA-N 413.949 3.269 0 40 HGAB CC(=O)c1cccc(N2C(SCc3cccc(F)c3)=N[C@@H]3CS(=O)(=O)C[C@@H]32)c1 32639884 ZRHFSMUKCWAJRR-MOPGFXCFSA-N 418.515 3.303 0 40 HGAB CC(=O)Nc1cccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(C)s2)c1C 32753735 MOUYSHDCNIRLOI-KRWDZBQOSA-N 421.544 3.115 0 40 HGAB Cc1ccc(C(=O)N(C)Cc2nc3ccccc3n2C(F)F)cc1NS(C)(=O)=O 32760288 GBKJUDAILYZCIY-UHFFFAOYSA-N 422.457 3.384 0 40 HGAB CCCn1c(=O)n(CCC(=O)Nc2cc3c(cc2C(C)=O)OCO3)c2ccccc21 32836068 XIBOPQDWUPZPIL-UHFFFAOYSA-N 409.442 3.173 0 40 HGAB Cc1ccc(C)c(OCC(=O)OCN2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1 32873652 FOMHWYWHSVVRMM-UHFFFAOYSA-N 423.435 3.419 0 40 HGAB C[C@@H](CCc1ccccc1)NC(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1 32999965 KUKDIGKQOHOFRH-INIZCTEOSA-N 406.573 3.213 0 40 HGAB CCCCOc1ccc(C(=O)NCC(=O)NC[C@@H](c2cccs2)N(C)C)cc1 33026551 PRWLRZUBARTIDH-SFHVURJKSA-N 403.548 3.076 0 40 HGAB C[C@]12CCC(=O)N1c1ccccc1C(=O)N2CCCC(=O)Nc1nc2c(s1)CCC2 40073855 LMLQDHPXJCDDDZ-JOCHJYFZSA-N 424.526 3.350 0 40 HGAB CC(=O)N1CCc2cc(NC(=O)Cc3csc(NC(=O)c4ccoc4C)n3)ccc21 40131152 IHRUVFBOLAMJBE-UHFFFAOYSA-N 424.482 3.387 0 40 HGAB O=C(Nc1cc(C(F)(F)F)c[nH]c1=O)c1nn(-c2ccccc2F)c2c1CCC2 45839096 HJNQQZUDQSQDID-UHFFFAOYSA-N 406.339 3.460 0 40 HGAB Cc1ccc(N2C(=O)[C@@H]3N=NN(Cc4nc(-c5ccccc5C)no4)[C@H]3C2=O)cc1C 49002741 ZCPKYOBRLXLVOM-RTBURBONSA-N 416.441 3.155 0 40 HGAB Cc1ccc(C(=O)NC2CCN(C(=O)c3cn(-c4ccc(F)cc4)nn3)CC2)cc1C 49406129 SYLNSULDZUFCJX-UHFFFAOYSA-N 421.476 3.058 0 40 HGAB COC(=O)[C@@H]1CN(C(=O)CN(C)Cc2ccc(C(F)(F)F)cc2)c2ccccc2O1 57504099 XTSULRZSKCZPMO-SFHVURJKSA-N 422.403 3.104 0 40 HGAB C[C@H]1CN(Cc2ccc(C(=O)N3CCC(Nc4cccnc4)CC3)cc2)C[C@H](C)O1 58356016 XJCAOVSAGYQIMO-OALUTQOASA-N 408.546 3.408 0 40 HGAB COc1ccc(NC(=O)[C@@H](NC(=O)N2CCN(c3ccccc3)CC2)C(C)C)cc1 61721742 VGPGAKDZNJYMCX-NRFANRHFSA-N 410.518 3.190 0 40 HGAB CCc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccccc4Cl)ncn3n2)cc1 67208716 SQWBYTWNWUPJLH-UHFFFAOYSA-N 407.861 3.413 0 40 HGAB O=C(C1CC1)N1CCCCC[C@H]1C1CCN(Cc2nnnn2-c2ccccc2)CC1 71890541 ATOHIMDWPAOLQR-NRFANRHFSA-N 408.550 3.056 0 40 HGAB CCCN1CCC2(CC1)OC[C@@H](C(=O)O)N2C(=O)c1ccc(Cl)cc1Cl 71980270 LPXIBHGYCWHZNQ-HNNXBMFYSA-N 401.290 3.121 0 40 HGAB NC(=O)c1ccc(-c2cnc(N)nc2[C@@H]2CCCN(CCc3ccccc3)C2)cc1 72345929 QDZFAKKGSDMSCP-HXUWFJFHSA-N 401.514 3.247 0 40 HGAB COc1cc([C@@H]2SC(C)=Nc3c2c(=O)[nH]n3C(C)C)c(OC)c2c1OCCO2 85412238 GISKLDRQHTXVSX-KRWDZBQOSA-N 405.476 3.432 0 40 HGAB COc1ccc2c(c1)CCCN2C(=O)CN1CCN(CC(F)(F)F)C[C@@H]1C(C)C 95468501 RZQFOSXBQFKAFV-LJQANCHMSA-N 413.484 3.179 0 40 HGAB Cc1noc(C)c1S(=O)(=O)Nc1ccccc1Cc1nc(-c2cccnc2)no1 96119622 MTWSOQLWQMRGBS-UHFFFAOYSA-N 411.443 3.128 0 40 HGAB O=C(Nc1cccnc1)C12C[C@H]3C[C@H](C1)CC(n1cnc(Br)n1)(C3)C2 101115120 KFKCMPWREBFSLQ-LGBHXNNWSA-N 402.296 3.370 0 40 HGAB Cc1nc(SCC(=O)N2CCC(C(N)=O)CC2)n([C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c1C 104814671 RCIJVJASQCQXMH-CAMMJAKZSA-N 418.607 3.313 0 40 HGAB COc1ccc(N(CC(=O)O)S(=O)(=O)c2cc(Cl)ccc2Cl)c(OC)c1 113892895 CNDQULRRLPJIRO-UHFFFAOYSA-N 420.270 3.291 0 40 HGAB O=C(Nc1cnn(C[C@@H]2COc3ccccc3O2)c1)c1cc2ccccc2oc1=O 207999502 XPNFOMMYYARSRI-MRXNPFEDSA-N 403.394 3.082 0 40 HGAB COc1ccc(NC(=O)COc2ccc(S(=O)(=O)NC3CC3)cc2C)cc1Cl 223055917 AONJYRZUKCZREC-UHFFFAOYSA-N 424.906 3.115 0 40 HGAB COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCc3ccco3)cc2C)cc1 224223510 KKWULYJOMVQEIY-UHFFFAOYSA-N 414.483 3.352 0 40 HGAB COC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(OC)c(C)c1 224645554 AZOLFGAHMFLHHQ-UHFFFAOYSA-N 413.879 3.034 0 40 HGAB CS(=O)(=O)N(CC(=O)Nc1ccc(OC(F)(F)F)cc1)c1ccccc1F 224862198 YIJITIYNSSOHFL-UHFFFAOYSA-N 406.357 3.129 0 40 HGAB C[C@@H](Oc1nn(-c2ccccc2)cc1Br)C(=O)NCc1ccccn1 227159400 TYFVHNZGRXYPJF-CYBMUJFWSA-N 401.264 3.114 0 40 HGAB CNC(=O)C1(c2cccc(Nc3cc(C)n[nH]3)n2)CCN(C(=O)C2CCCCC2)CC1 257209837 BSCBBQQHNZVQPR-UHFFFAOYSA-N 424.549 3.043 0 40 HGAB O=C(CCc1c[nH]c2ccccc12)N1CCO[C@H](c2cccc(-c3cn[nH]c3)n2)C1 257212072 CBVCUDGPDHRQJG-QFIPXVFZSA-N 401.470 3.486 0 40 HGAB CCc1nc(-c2cncnc2[C@@H]2CCN(C(=O)c3ccc4c(c3)CCCN4C)C2)no1 257238567 HLPRWPQSTHMEPO-QGZVFWFLSA-N 418.501 3.101 0 40 HGAB O=C(Cn1ccc2ccc(F)cc21)N1CC[C@H](O)[C@@H](Oc2ccccc2F)CC1 257325200 WRXVTBVYGWAHJQ-FPOVZHCZSA-N 400.425 3.350 0 40 HGAB S=C1N[C@H](c2ccccn2)[C@H](c2cccn2Cc2ccccn2)N1C[C@H]1CCCO1 260924288 TZVCMGFBVUSUPN-QIJUGHKUSA-N 419.554 3.478 0 40 HGAB COc1ccc(-c2nnc3n(c2=O)CC[C@@]32CCN(Cc3ccc(F)cc3)C2)cc1 306140770 VDNAUZCCLSMEPK-HSZRJFAPSA-N 406.461 3.000 0 40 HGAB CCc1cccc(CC)c1NC(=O)COc1ccc(CN(C)S(C)(=O)=O)cc1 408705543 IGIVQFLZYOJDPB-UHFFFAOYSA-N 404.532 3.220 0 40 HGAB CC[C@@H](C)[C@H](NC(=O)Cc1c(C)c2cc3c(cc2oc1=O)OC(C)(C)CC3)C(=O)O 526052478 IMMINJGPIKVWQB-ODXCJYRJSA-N 415.486 3.363 0 40 HGAB O=C(Cn1cc(-c2ccccc2)nn1)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 557119134 WWAPXIBRIOLYBJ-XMMPIXPASA-N 401.514 3.070 0 40 HGAB Cc1nc(Nc2ncc(C)s2)cc([C@H]2CN(C(=O)Cc3ccccc3)CCO2)n1 585262507 CBKJSXGNGYDQED-GOSISDBHSA-N 409.515 3.436 0 40 HGAB Cn1cc(/C=C/C(=O)N2CCC[C@@H](Cc3ccnc(Nc4ccccn4)c3)C2)cn1 585291899 VESDECVPNNUCNK-UCFODXPJSA-N 402.502 3.448 0 40 HGAB Cc1sc2nc(CCC(=O)N[C@@H](C(C)C)[C@H](O)C(F)(F)F)nc(O)c2c1C 670404444 IZCDNBQGUPCMBZ-KBPBESRZSA-N 405.442 3.010 0 40 HGAB Cc1ccc(OCC2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)nn1 1775969443 RSMWAOQQRJLNEL-UHFFFAOYSA-N 415.437 3.284 0 40 HGAB COc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)cc1 791954 PGSSRCHJTLAOMY-CQSZACIVSA-N 408.907 3.388 0 40 HGAB O=S(=O)(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(Cl)cc1 813062 DSFWCUUKLHHURF-UHFFFAOYSA-N 414.936 3.315 0 40 HGAB CCOC(=O)c1ccc(NC(=O)CN(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1 821424 JXEJRRUYIRBBAI-UHFFFAOYSA-N 424.906 3.230 0 40 HGAB CCOC(=O)c1csc(N2N=C(/C=C/c3ccco3)C[C@@]2(O)C(F)(F)F)n1 1411803 JZHRPROKUYABGS-LLYBFZRZSA-N 401.366 3.443 0 40 HGAB CCCN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@@H]2c2cccc(OC)c2)C1=O 2104198 LXGPIGVVTJWDTF-REWPJTCUSA-N 403.482 3.271 0 40 HGAB biogenic Cc1cccc(-n2c3nc(=O)n(C)c(=O)c-3cc3c(C)nn(-c4ccccc4)c32)c1C 2216111 PQLXALDAJUXLRT-UHFFFAOYSA-N 411.465 3.300 0 40 HGAB COc1ccc(CNC(=O)[C@H](C)Sc2nnc(-c3ccc4c(c3)OCO4)o2)cc1 2622982 OVYQAAZZTBWLAE-LBPRGKRZSA-N 413.455 3.271 0 40 HGAB CN(c1ccc(OCC(=O)N2CCc3ccccc32)cc1)S(=O)(=O)c1ccccc1 2640091 FHSGJVMSRGLVNF-UHFFFAOYSA-N 422.506 3.480 0 40 HGAB Cc1cccc(Cn2c(=O)c3c(nc4n3CCN4c3cc(C)cc(C)c3)n(C)c2=O)c1 3015981 RPFXNDIBVNCWDA-UHFFFAOYSA-N 415.497 3.022 0 40 HGAB C[C@@H]1CN(C(=O)COC(=O)COc2cc(Cl)c(Cl)cc2Cl)C[C@@H](C)O1 3227965 PCYGKZYRODZHES-NXEZZACHSA-N 410.681 3.205 0 40 HGAB C[C@]12CCC(=O)N1[C@H](C(=O)OCC(=O)c1ccc3c(c1)-c1ccccc1C3)CS2 3441823 YFMAAIWMVWNIAG-CVDCTZTESA-N 407.491 3.438 0 40 HGAB COc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)cc1OC 3565536 PIYHDCIWWNIZOH-UHFFFAOYSA-N 404.488 3.131 0 40 HGAB C[C@]1(c2ccc(Cl)cc2Cl)NC(=O)N(CC(=O)NCC2CCCCC2)C1=O 3595155 JQPDUNZMIWBKLA-LJQANCHMSA-N 412.317 3.457 0 40 HGAB O=C(O)c1cccc(-n2cccc2/C=C2\NC(=O)N(Cc3ccccc3F)C2=O)c1 3652572 ZEFIDGGKMGCFDD-UNOMPAQXSA-N 405.385 3.408 0 40 HGAB Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3ccc(N4CCCCC4)cc3)C2=O)cc1 4297085 CQGAODMKAPZJTK-XMMPIXPASA-N 420.513 3.391 0 40 HGAB COc1ccc(N2C(=O)/C(=C\c3cccs3)N=C2SCC(N)=O)cc1Cl 4513665 KFKCWMYLCIHVLH-MDWZMJQESA-N 407.904 3.372 0 40 HGAB COc1ccc(F)cc1S(=O)(=O)N[C@@H](C(=O)OCCC(C)C)c1ccccc1 4694401 ZVLUCFTVMHZXMH-LJQANCHMSA-N 409.479 3.443 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(SCC(=O)c1ccc[nH]1)n2CC 4895278 BVUOCBZYMKZYIP-UHFFFAOYSA-N 420.560 3.390 0 40 HGAB COc1ccc(C(=O)Nc2cccc(-c3ccc(N4CCOCC4)nn3)c2)c(OC)c1 4939918 HRPIRADAOITQLX-UHFFFAOYSA-N 420.469 3.250 0 40 HGAB C[C@@H](NC(=O)c1ccccc1)c1nc2ccccc2n1CC(=O)NCc1ccco1 5267618 WHSCLMZSQQDDEP-MRXNPFEDSA-N 402.454 3.437 0 40 HGAB COC(=O)c1[nH]c2cccc(OC)c2c1NC(=O)[C@H](C)N1CCc2ccccc2C1 5562672 ZEBNQWBYTDNARX-AWEZNQCLSA-N 407.470 3.348 0 40 HGAB CCCOC(=O)c1ccc(NS(=O)(=O)c2ccc(OC)c(NC(C)=O)c2)cc1 6800789 UQGANUPQJVROOV-UHFFFAOYSA-N 406.460 3.021 0 40 HGAB CC(C)C[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccccc1 7037017 BEJRRIFGUYZYLE-NRFANRHFSA-N 416.543 3.225 0 40 HGAB CC(=O)Nc1sc2c(c1C(=O)OCc1cc(=O)n3c(C)cccc3n1)CCCC2 7214953 PSJBRYUPBLABMV-UHFFFAOYSA-N 411.483 3.259 0 40 HGAB Cc1cc(Br)ccc1NC(=O)CN(C)CC(=O)N[C@H](C)c1ccco1 7680581 VRWPFNDFOLUNRO-CYBMUJFWSA-N 408.296 3.098 0 40 HGAB C[C@@H](CCc1ccco1)NC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1 8010925 ZTTMNJAGYHUGCS-HNNXBMFYSA-N 402.472 3.102 0 40 HGAB Cc1c(C(N)=O)sc2ncn(CC(=O)c3ccc(-c4ccccc4)cc3)c(=O)c12 8015069 URUSRRHTMTXMLS-UHFFFAOYSA-N 403.463 3.415 0 40 HGAB Cc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)cc2)cc1 8410628 JGCLHGCIEQDQOH-WOJBJXKFSA-N 418.449 3.246 0 40 HGAB CCOC(=O)c1c(SCC(=O)Nc2cc(Cl)cc(Cl)c2)nc(=O)[nH]c1C 8601830 BLBIGJGUQJBPPG-UHFFFAOYSA-N 416.286 3.293 0 40 HGAB CCN1CCOc2ccc(NS(=O)(=O)c3cc(Cl)ccc3OC)cc2C1=O 8961639 WZWSZYRBVZTOPJ-UHFFFAOYSA-N 410.879 3.004 0 40 HGAB O=C(N[C@]1(C(F)(F)F)N=C(O)N(Cc2ccccc2)C1=O)c1ccc(Cl)cc1 9013703 QHPNDLQTNIVCOM-KRWDZBQOSA-N 411.767 3.285 0 40 HGAB CCOc1ccc(N2C[C@@H](CNS(=O)(=O)c3ccc(C)cc3C)CC2=O)cc1 9036244 BTJZJDBRBYFJMM-QGZVFWFLSA-N 402.516 3.034 0 40 HGAB C[C@@H](C(=O)Nc1ccc(F)c(C(F)(F)F)c1)N1C(=O)c2ccccc2S1(=O)=O 10188060 WSSQBDBJYJLVBE-VIFPVBQESA-N 416.352 3.016 0 40 HGAB COc1ccc(NC(=O)[C@H](C)N(c2cc(C)ccc2C)S(C)(=O)=O)cc1OC 10329228 AJFKQMINURPBFA-HNNXBMFYSA-N 406.504 3.114 0 40 HGAB COC(=O)c1cccc(NC(=O)[C@@H](C)N(c2cc(Cl)ccc2C)S(C)(=O)=O)c1 10371331 GEXXSMRPIHPJIZ-CYBMUJFWSA-N 424.906 3.228 0 40 HGAB NC(=O)[C@H]1CN(C(=O)c2cc(-c3ccncc3)nc3ccccc23)c2ccccc2O1 12543391 JXLNPTBTVZEQPR-JOCHJYFZSA-N 410.433 3.190 0 40 HGAB Cc1ccc(NS(=O)(=O)c2ccc(C(=O)N3C[C@H](C)O[C@H](C)C3)cc2)cc1C 12605465 PGYIPXLJNPRFII-CALCHBBNSA-N 402.516 3.354 0 40 HGAB COc1cccc(C(=O)N2CCN(Cc3nc(-c4ccc(C)cc4)no3)CC2)c1OC 12759802 SDTZHTWLJIPAHI-UHFFFAOYSA-N 422.485 3.020 0 40 HGAB O=C(/C=C/c1ccc2c(c1)CCO2)Nc1c(C(=O)N2CCOCC2)oc2ccccc12 12762212 RMVADIOLYJBPGL-SOFGYWHQSA-N 418.449 3.492 0 40 HGAB COC(=O)C1=C(C)N(c2ccc(C(=O)O)cc2)C(=O)N[C@H]1c1ccc(F)cc1F 12851915 QJCPEJDNSSUEKC-KRWDZBQOSA-N 402.353 3.381 0 40 HGAB O=C(Nc1cccc(Br)c1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 12938630 SIJVJOKYOHEMSU-GFCCVEGCSA-N 417.259 3.212 0 40 HGAB CCC[C@@H](C)NC(=O)c1ccc(OC)c(S(=O)(=O)NCCc2ccccc2)c1 13581932 XWBIYMXGEZJRDW-MRXNPFEDSA-N 404.532 3.135 0 40 HGAB O=C(Nc1cccc(Cl)c1N1CCOCC1)[C@H]1CC(=O)N(Cc2ccccc2)C1 14126070 NSKCLFHGYFOSAG-KRWDZBQOSA-N 413.905 3.164 0 40 HGAB O=C(CSc1nnc(NC[C@H]2CCCO2)s1)NCCc1ccc(Cl)cc1 14201342 AQOVHONDRCZFLW-CQSZACIVSA-N 412.968 3.233 0 40 HGAB O=C(NCCc1nnc2ccccn12)c1ccc(-c2nnc(-c3ccccc3)o2)cc1 14312629 AHFXWKPYHFLHCZ-UHFFFAOYSA-N 410.437 3.419 0 40 HGAB CS(=O)(=O)N(CCCC(=O)NCCSCc1ccccc1)c1ccc(F)cc1 14398857 XHFMKYWYNWFMQX-UHFFFAOYSA-N 424.563 3.422 0 40 HGAB CCOC(=O)c1nn(Cc2ccccc2)c2c1CN(C(=O)Cc1cccs1)CC2 14535895 LLGGZUKWYKKMTC-UHFFFAOYSA-N 409.511 3.297 0 40 HGAB CC(C)Oc1c(I)cc(C=O)cc1I 15423227 RMXCHUDTJIBMEF-UHFFFAOYSA-N 415.996 3.496 0 40 HGAB CC(C)NC(=O)NC(=O)[C@H](C)OC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1 15650357 BUVXOHCMAJAERQ-ZDUSSCGKSA-N 416.861 3.351 0 40 HGAB COc1ccccc1CNC(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1 15739527 ZSUAQDJGZYLHMV-UHFFFAOYSA-N 416.543 3.119 0 40 HGAB CC(C)[C@H](NC(=O)CNCCOc1ccccc1F)c1ccc2c(c1)OCCCO2 16695498 UIGPRCYQBKHNTG-QHCPKHFHSA-N 416.493 3.469 0 40 HGAB Cc1cccc(NC(=O)COc2cccc3ccc(N4CCC(C(N)=O)CC4)nc23)c1 17123188 PUNWMBZFDWXWNN-UHFFFAOYSA-N 418.497 3.262 0 40 HGAB COc1ccccc1CN(C)C(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 17796786 DCTJYXMUXAATDZ-UHFFFAOYSA-N 416.543 3.063 0 40 HGAB Cc1c(C(=O)N2CCC[C@H](c3cc4nc(C(F)(F)F)ccc4c(=O)[nH]3)C2)cnn1C 19553281 CRQSUAKFMGHNFK-LBPRGKRZSA-N 419.407 3.004 0 40 HGAB COc1cc2cc(N)c(C3CCN(C(=O)Cc4c(C)n[nH]c4C)CC3)nc2cc1OC 19578671 SVDVAHBKSKPFSD-UHFFFAOYSA-N 423.517 3.123 0 40 HGAB Cc1nc(C2CCN(C(=O)c3c[nH]nc3C)CC2)ncc1C(=O)Nc1ccccc1 19753577 YWXLTTFYAMACMI-UHFFFAOYSA-N 404.474 3.089 0 40 HGAB Cc1[nH]c2c(C)cccc2c(=O)c1CN1CCN(Cc2ccc3c(c2)OCO3)CC1 19793689 RQDRMZPAEFRORV-UHFFFAOYSA-N 405.498 3.191 0 40 HGAB CCN(c1ccc(OCC(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1)S(C)(=O)=O 20030509 ZHSKYHVJLPZUBC-AWEZNQCLSA-N 410.923 3.382 0 40 HGAB CC[C@H](Oc1cccc(C)c1)C(=O)Nc1cc(S(=O)(=O)NC(C)C)ccc1OC 20037214 XJHZVMVUBJYEFR-IBGZPJMESA-N 420.531 3.486 0 40 HGAB CCc1cccc(NC(=O)CSc2nc3c(=O)[nH]cnc3n2-c2ccccc2)c1 20213319 UTSKOBKUCPMPLB-UHFFFAOYSA-N 405.483 3.402 0 40 HGAB O=C1c2oc3ccccc3c(=O)c2[C@@H](c2ccccc2F)N1CCCN1CCOCC1 20219623 VUONXWKIRCJERR-OAQYLSRUSA-N 422.456 3.200 0 40 HGAB CC(=O)c1cccc(N(CC(=O)N[C@@H](C)c2ccc(C)cc2C)S(C)(=O)=O)c1 20458196 ZDHSMNFREHFMRQ-INIZCTEOSA-N 402.516 3.149 0 40 HGAB Cc1cc(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)ccc1N1CCCC1=O 21868229 QIUDQFXPSDXXMP-UHFFFAOYSA-N 413.499 3.049 0 40 HGAB CC(C)CNS(=O)(=O)c1ccc(OCC(=O)N[C@H](C)c2ccc(F)cc2)cc1 22536776 QEFNOBVXMHAQTH-OAHLLOKOSA-N 408.495 3.016 0 40 HGAB CC(C)Cn1c(S[C@@H](C)C(=O)Nc2ccc(C(N)=O)cc2)nnc1-c1ccco1 22563191 PVMJDPMEJBUGSY-ZDUSSCGKSA-N 413.503 3.412 0 40 HGAB O=C(Nc1ccc2c(c1)OCCCO2)[C@H]1CCCCN1S(=O)(=O)c1ccccc1 23039758 LOFUBFJPCWNJGZ-GOSISDBHSA-N 416.499 3.030 0 40 HGAB CCCCCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1 23074612 FJKPYLUZJYEHED-UHFFFAOYSA-N 423.579 3.217 0 40 HGAB CS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2ccccc2Cc2ccccc2)n1 24993004 SNABBCSDVVWSGP-UHFFFAOYSA-N 401.875 3.377 0 40 HGAB O=C1CCCN1Cc1ccc(C(=O)N2CCN(Cc3cccc(Cl)c3)CC2)cc1 25455390 ZMLROZPCKOSWSQ-UHFFFAOYSA-N 411.933 3.420 0 40 HGAB CC(C)c1ccc(CN2CCN(C(=O)[C@@H]3CCCN(c4cnccn4)C3)CC2)cc1 29756734 TWCVUASOKCYSPT-JOCHJYFZSA-N 407.562 3.161 0 40 HGAB O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCOc2ccccc21 30578235 MJPCXWMCNVIOQP-UHFFFAOYSA-N 414.527 3.219 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N(C)Cc3ccc(C)cc3)C2)cc1 30853865 FYDWNGVHKKRJHR-LJQANCHMSA-N 416.543 3.063 0 40 HGAB Cc1ccc(S(N)(=O)=O)cc1C(=O)N1CCC[C@H]1c1nc2ccccc2s1 31391913 XRBWVSHKAQKRMY-INIZCTEOSA-N 401.513 3.229 0 40 HGAB COc1ccc(NS(=O)(=O)c2cc(C(=O)O)sc2Br)cc1OC 32586153 ATXZVAXZJLUWCE-UHFFFAOYSA-N 422.278 3.027 0 40 HGAB COc1ccc([C@H](CNC(=O)c2csc3c2CCCC3)N2CCOCC2)cc1 32667764 VTBQNGNEJXQKIN-FQEVSTJZSA-N 400.544 3.439 0 40 HGAB C[C@@H](NC(=O)c1cc(-c2cccs2)n([C@H]2CCS(=O)(=O)C2)n1)c1ccccc1 33325349 UXUCWBSJPKBFHE-ZBFHGGJFSA-N 415.540 3.462 0 40 HGAB C[C@@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)N1CCN(c2cccc(Cl)c2)CC1 36585576 GXUDUPNOGGATOO-OAHLLOKOSA-N 410.905 3.288 0 40 HGAB CC(=O)N1CCN(C(=O)c2cc3ccccc3cc2OCc2c(C)noc2C)CC1 36697282 WHEVSLVQTRXINF-UHFFFAOYSA-N 407.470 3.328 0 40 HGAB Cc1cccc(C)c1OCCNC(=O)Cc1c(C)nc2nc(C(F)(F)F)nn2c1C 40113707 ZEBMQUPVOSCPCL-UHFFFAOYSA-N 421.423 3.114 0 40 HGAB Cc1ccc(CNC(=O)C2CCN(C(=O)c3cc4ccccc4oc3=O)CC2)cc1F 40113901 NNJCWILRCALWCP-UHFFFAOYSA-N 422.456 3.409 0 40 HGAB COc1cccc([C@H](CNC(=O)CSCc2ccccc2)N2CCOCC2)c1 42381953 LRFYCSCJGFMOAH-NRFANRHFSA-N 400.544 3.118 0 40 HGAB COc1cc(C(=O)N2CCCc3c(F)cc(F)cc32)ccc1OCC(=O)NC(C)C 44505574 XJSGEBQQZJTVKP-UHFFFAOYSA-N 418.440 3.470 0 40 HGAB COc1ccc(Cn2nnnc2[C@@H](C(C)C)N2CCN(c3ccc(F)cc3)CC2)cc1 57671049 KOYWHHNUVUWGAF-JOCHJYFZSA-N 424.524 3.388 0 40 HGAB CN(C)Cc1ccccc1CNC(=O)NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1 58406324 UZLHYIDGIXIQGQ-INIZCTEOSA-N 402.489 3.352 0 40 HGAB CCOC(=O)c1ccc(N2CCN(CC)CC2)c(NC(=O)c2cccc(OC)c2)c1 59723464 LDAHYXBHFMHYLK-UHFFFAOYSA-N 411.502 3.266 0 40 HGAB Cc1cc(-c2cc(=O)n([C@H](C)C(=O)NCc3ccco3)nc2-c2cccs2)on1 72337050 DKXKGTONVGEKLA-CYBMUJFWSA-N 410.455 3.406 0 40 HGAB COc1ccccc1NC(=O)Nc1cc(N2CCN(Cc3ccccc3)CC2)ncn1 77200569 VCTFHFOVJYLRQW-UHFFFAOYSA-N 418.501 3.451 0 40 HGAB COc1ccc2[nH]cc(CCNC(=O)C3CCN(c4nc(C)cc(C)n4)CC3)c2c1 79495701 JXKMJJJFPAFDRX-UHFFFAOYSA-N 407.518 3.159 0 40 HGAB CC(C)N1CCN(C(=O)c2cc(-c3cnc(Nc4ccccc4)nc3)cn2C)CC1 96037615 OJRPGWFHQLDADO-UHFFFAOYSA-N 404.518 3.392 0 40 HGAB O=C(c1cccnc1)N1CC[C@]2(C1)c1ccccc1S(=O)(=O)N2Cc1ccccc1 96143105 TUVUAOWQKLVTKG-QHCPKHFHSA-N 419.506 3.028 0 40 HGAB CC(=O)N[C@@H](C)c1cccc(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2C)c1 96191729 BWMVMYWLQOHLJC-HNNXBMFYSA-N 415.515 3.120 0 40 HGAB Cc1nc(C)c(CC(=O)N2[C@H]3CC[C@H]2CC(O)(Cn2ccc4ccncc42)C3)s1 100145921 CNMZUDQZXNDHMH-ROUUACIJSA-N 410.543 3.237 0 40 HGAB CC(C)=C1[C@@H]2CC[C@@H]1[C@H]1C(=O)N(NC(=O)COc3ccc(C(C)(C)C)cc3)C(=O)[C@H]21 101961531 MLRLTPLFYJYRNB-ZCLUNYJNSA-N 410.514 3.372 0 40 HGAB Cc1cc(C)nc(Nc2n[nH]c(-c3c[nH]c4c(-c5ccccc5)c(C)nn4c3=N)n2)n1 102334618 VEOFRCWPDYDZLQ-UHFFFAOYSA-N 412.461 3.053 0 40 HGAB O=C(O)C[C@@]12C[C@@H]3C[C@@H](C[C@@](n4ncc(NC[C@@H]5CCCO5)c(Cl)c4=O)(C3)C1)C2 217546504 DVBMTEUIDSJCBO-KUEUIXCOSA-N 421.925 3.258 0 40 HGAB COc1cccc(NC(=O)CN(c2ccc(C(F)(F)F)cc2)S(C)(=O)=O)c1 220039756 SSGMBUSLEPDXLO-UHFFFAOYSA-N 402.394 3.119 0 40 HGAB CN(C(=O)COc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)c1ccccc1 222636742 YVCKOEIYYIMRRX-UHFFFAOYSA-N 424.522 3.249 0 40 HGAB COC(=O)c1cn(S(=O)(=O)c2ccc(SC)c(NC(C)=O)c2)c2ccccc12 222649269 QRTUHDGDQAJXFL-UHFFFAOYSA-N 418.496 3.345 0 40 HGAB COc1ccc(C(=O)NCc2cccc(C)c2)cc1S(=O)(=O)N1CCCCC1 222915805 XBLYULYJHXQXSO-UHFFFAOYSA-N 402.516 3.108 0 40 HGAB CN(C)CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccccn1 223212256 OHHHFYAQOIDZFC-SFTDATJTSA-N 406.559 3.192 0 40 HGAB O=C1CCCN1Cc1ccccc1CNS(=O)(=O)c1ccc(Br)cc1 223696720 NIOOYOIFSGGFEH-UHFFFAOYSA-N 423.332 3.050 0 40 HGAB CCOC(=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)CCCN3C(C)=O)c1C 223847422 FBZJBDWGAJUNFV-UHFFFAOYSA-N 416.499 3.272 0 40 HGAB CCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CCc1ccc2c(c1)OCO2 223884322 GQROTZNOQFTXOE-INIZCTEOSA-N 414.477 3.431 0 40 HGAB CCC(=O)Nc1nnc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)s1 224332823 HOQLZHMZJCPIMM-UHFFFAOYSA-N 414.818 3.360 0 40 HGAB CS(=O)(=O)N(c1ccc(F)cc1)[C@@H](Cc1ccc(Br)cc1)C(=O)O 225159289 NDNHNHDMJIQKOO-HNNXBMFYSA-N 416.268 3.050 0 40 HGAB CNC(=O)[C@@]1(c2ccccn2)CCCN(C(=O)C2(c3ccccc3F)CCCC2)C1 257274159 NJVBJYXZBHSLGD-DEOSSOPVSA-N 409.505 3.339 0 40 HGAB COc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)C(C)C)c2ccccc2)cc1OC 260897347 LJQHSGBADKCIRS-MRXNPFEDSA-N 420.531 3.060 0 40 HGAB O=C(N[C@H]1C(=O)N/[N+](=C\c2ccccc2)[C@H]1c1ccc(Cl)cc1)c1ccccc1 409061246 YKQRUXYMWNLIAA-NAGXTHEASA-O 404.877 3.356 0 40 HGAB Cc1ccc(NC(=O)CSc2nnc(CNC(=O)c3ccccc3)n2C)c(C)c1 409162151 CXVPDCLVAPIWCK-UHFFFAOYSA-N 409.515 3.093 0 40 HGAB COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cccc(C(F)(F)F)c2)C1=O 409250857 YMMMQBZYXUDAQV-XNTDXEJSSA-N 419.359 3.245 0 40 HGAB COC1(c2nc(C3CCOCC3)no2)CCN(C(=O)c2cc3ccccc3[nH]2)CC1 515439326 SSJDMRONRLVKMY-UHFFFAOYSA-N 410.474 3.223 0 40 HGAB COc1cccc2sc(NC(=O)N3CCC(C(=O)N=c4cc[nH]cc4)CC3)nc12 1615611220 XEMCUDAQPISXBU-UHFFFAOYSA-N 411.487 3.004 0 40 HGAB CC(C)OCCCNC(=O)c1c(N)n(Cc2ccco2)c2nc3ccccc3nc12 2393171 KLWIUFBMAKQGRE-UHFFFAOYSA-N 407.474 3.353 0 40 HGAB COc1ccc(Cc2nnc(NC(=O)COc3ccccc3OC)s2)cc1OC 2450240 QQZAZOYSYIHIBM-UHFFFAOYSA-N 415.471 3.172 0 40 HGAB Cc1noc(C)c1COC(=O)[C@@H](C)NS(=O)(=O)c1ccc(Cl)c(Cl)c1 3364568 BUHTUQPZZSKQOG-SECBINFHSA-N 407.275 3.008 0 40 HGAB COc1ccc(-c2nc(NC(=O)CN3C(=O)c4ccccc4C3=O)sc2C)cc1 3523967 BQKBFCZXNWZQMM-UHFFFAOYSA-N 407.451 3.362 0 40 HGAB Cc1ccc(-n2c(SCC(=O)NC[C@H]3CCCO3)nc3ccccc3c2=O)cc1 3530470 NGXOKTURIPPGKR-QGZVFWFLSA-N 409.511 3.081 0 40 HGAB Cc1cccc(NC(=O)c2ccc(S(=O)(=O)N(C)C[C@@H]3CCCO3)cc2)c1C 4348183 HTMQYISKYKHGLZ-SFHVURJKSA-N 402.516 3.355 0 40 HGAB C[C@@H](NC(=O)CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O)c1cccc(Cl)c1 4469043 VDKDKLBTAUMXNX-PEBXRYMYSA-N 411.889 3.301 0 40 HGAB COC(=O)c1ccc(NC(=O)CSc2nc3sc(C)c(C)c3c(=O)[nH]2)cc1 4861521 IWLGJQUULFTPMX-UHFFFAOYSA-N 403.485 3.119 0 40 HGAB C[C@@H](C(=O)N(C)Cc1ccccc1)n1nnc(-c2ccc(Br)cc2)n1 5088118 XXOPEMULUFUCNN-ZDUSSCGKSA-N 400.280 3.322 0 40 HGAB O=C(c1ccc(N2CCCCS2(=O)=O)cc1Cl)N1CCc2ccccc2C1 5099770 CFMMBAQTJNVNPM-UHFFFAOYSA-N 404.919 3.469 0 40 HGAB CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]1C(=O)OCc1ccccc1 5733330 AXXCQAWGCJGDKN-QZTJIDSGSA-N 404.507 3.270 0 40 HGAB CCc1nnc2c(NCCCN3CCN(c4ccccc4)CC3)nc3ccccc3n12 7504120 IWLKUJYNCMJBAI-UHFFFAOYSA-N 415.545 3.464 0 40 HGAB COc1ccc([C@@H](C)NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)cc1F 7924920 SLCKPQYAMGBSJU-LLVKDONJSA-N 414.886 3.229 0 40 HGAB COc1cccc(N(CC(=O)Nc2cc(Cl)ccc2Cl)S(C)(=O)=O)c1 8167596 FDIXKPOKIATGTO-UHFFFAOYSA-N 403.287 3.407 0 40 HGAB CCOc1ccccc1NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 8587342 XWFZEOCXCWWCNV-UHFFFAOYSA-N 402.516 3.266 0 40 HGAB COc1cc2c(c3oc(=O)c(CC(=O)NCc4ccncc4)c(C)c13)CCC(C)(C)O2 8765109 TZLFYALKKGJJEF-UHFFFAOYSA-N 422.481 3.468 0 40 HGAB biogenic Cc1ccc(OCC(=O)n2nc(C)c(S(=O)(=O)N3CCCCC3)c2C)c(C)c1 9569784 XJFDQMDHJWILPV-UHFFFAOYSA-N 405.520 3.011 0 40 HGAB CC(=O)c1ccc(N2CCN(C(=O)CN(C)[C@H](C)c3cccs3)CC2)c(F)c1 10057003 WERHZYXIMFGBLH-OAHLLOKOSA-N 403.523 3.431 0 40 HGAB CCN(Cc1ccc(C(C)(C)C)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 10431637 MBXURABOTLMZCS-UHFFFAOYSA-N 406.530 3.491 0 40 HGAB Cc1nc(COc2ccc(C(=O)O[C@@H](C)C(=O)NC3CCCCCC3)cc2)no1 12077099 OUHUEDUBEUXWLT-AWEZNQCLSA-N 401.463 3.341 0 40 HGAB Cc1n[nH]c(C)c1CCC(=O)N1CCC[C@H](n2c(=O)oc3ccc(Cl)cc32)C1 12184484 IFTHETKMAYEVEV-HNNXBMFYSA-N 402.882 3.384 0 40 HGAB COc1ccccc1CC(=O)N1CCC[C@@H](c2nc3ccccc3cc2C(N)=O)C1 12330213 HFNZZHFBQCFOFS-GOSISDBHSA-N 403.482 3.291 0 40 HGAB C[C@@H](Sc1nnc(CCC(N)=O)n1Cc1ccco1)C(=O)c1ccc2c(c1)CCC2 12794822 YSMOODQLOZSKPX-CQSZACIVSA-N 424.526 3.190 0 40 HGAB CCOc1ccc(-c2noc(CCC(=O)Nc3ccc4c(c3)NC(=O)CO4)n2)cc1 12950286 GKIRIJLHCWNJJQ-UHFFFAOYSA-N 408.414 3.038 0 40 HGAB CCc1ccccc1Nc1nc(N)nc(CN(C)Cc2ccc(OC)cc2OC)n1 13137666 WATAFMGOBMYTDD-UHFFFAOYSA-N 408.506 3.409 0 40 HGAB Cc1cc(C)n(C[C@@H](C)C(=O)N2CCC[C@H](c3nc4ccccc4cc3C(N)=O)C2)n1 13225367 MJSAQXXJZALMSX-BEFAXECRSA-N 419.529 3.189 0 40 HGAB CC1(C)Cc2cccc(OCc3cccc(S(=O)(=O)N4CCOCC4)c3)c2O1 14245069 RZMIPVBMGKXSCY-UHFFFAOYSA-N 403.500 3.000 0 40 HGAB CCOC(=O)c1sc(N2CCNCC2)nc1-c1ccc(OC(F)(F)F)cc1 16158352 OXVDCXRGKWYZAL-UHFFFAOYSA-N 401.410 3.295 0 40 HGAB O=C(COc1ccc(S(=O)(=O)NC2CCCC2)cc1)NCc1ccccc1Cl 16449584 PHRLIWQDXGZTMT-UHFFFAOYSA-N 422.934 3.256 0 40 HGAB Cc1ccc(-n2ncc3c2CCC[C@H]3NC(=O)CCN2C(=O)CSC2=O)cc1C 19214361 CLLLRTZUFJHEGJ-QGZVFWFLSA-N 412.515 3.068 0 40 HGAB Cc1cc(C(=O)N(Cc2ccccc2F)C2CC2)cc(S(=O)(=O)N(C)C)c1C 19296177 HJAQKGMTXXAIPK-UHFFFAOYSA-N 404.507 3.498 0 40 HGAB Cc1cc(C)c2nc(NC3=NCN(Cc4ccc5c(c4)OCO5)CN3)nc(C)c2c1 19330195 GLLJXBBBSDDCMI-UHFFFAOYSA-N 404.474 3.072 0 40 HGAB CCCCNC(=O)CN1C(=O)[C@@H](CC)Oc2ccc(C(=O)c3cccs3)cc21 19502275 VCHYPGVNRSOPHY-MRXNPFEDSA-N 400.500 3.399 0 40 HGAB COc1c(CN2CCC(c3cc(N(C)C)nc(-c4cccnc4)n3)CC2)c(C)nn1C 19577940 DKQZWZZRPJYPQB-UHFFFAOYSA-N 421.549 3.035 0 40 HGAB CNc1cc([C@@H]2CCCN(C(=O)c3ccc(COC)o3)C2)nc(-c2cccnc2)n1 19592183 PURHNGMCAMBXEY-MRXNPFEDSA-N 407.474 3.340 0 40 HGAB CC[C@H](NS(=O)(=O)c1ccc(OC)c(N2CCCC2=O)c1)c1ccc(OC)cc1 20043223 IYZAZNNYFBRRBR-SFHVURJKSA-N 418.515 3.260 0 40 HGAB CCCn1cnc2nc(COc3cc(NC(=O)c4ccccc4)ccc3C)cc(=O)n21 21797190 GMGGOPDXVVWIMD-UHFFFAOYSA-N 417.469 3.441 0 40 HGAB CC1(C)C[C@@H](NC(=O)CN(c2ccccc2F)S(C)(=O)=O)c2ccccc2O1 22335194 XMSHWQXTCYLYOG-MRXNPFEDSA-N 406.479 3.010 0 40 HGAB COc1cccc([C@@H](CNC(=O)c2ccc(Br)cc2)N2CCOCC2)c1 23106020 QDBORNIPZCGZBB-LJQANCHMSA-N 419.319 3.261 0 40 HGAB C/C=C/c1ccc(OC[C@@H](O)CN2CCN(c3ccccc3F)CC2)c(OC)c1 23115559 AQMOEIIUHGUZAU-NAASZUNDSA-N 400.494 3.429 0 40 HGAB COc1ccc([C@@H]2CCCN2C(=O)c2cccc(CS(C)(=O)=O)c2)cc1OC 23386172 HJAKPKUNOFUPIP-SFHVURJKSA-N 403.500 3.226 0 40 HGAB CN1CCc2nc(NC(=O)[C@@H]3CCCN(C(=O)c4ccc(Cl)cc4)C3)sc2C1 23607799 RCQRSQXTMFUIIK-CQSZACIVSA-N 418.950 3.275 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC[C@@H]4CCCC[C@@H]4C3)CC2)cc1 23674864 IYLMKUVHAOZETR-PKOBYXMFSA-N 420.575 3.135 0 40 HGAB COCc1ccccc1CNC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 25308368 HUTJLYQMJPBFKK-INIZCTEOSA-N 417.303 3.265 0 40 HGAB CC1CCN(C[C@@H](O)COCCOc2c(F)cc(Br)cc2F)CC1 27530944 XABQBRUVYASWIR-CQSZACIVSA-N 408.283 3.216 0 40 HGAB COc1ccc(Nc2nnc(SCc3ccc(Cl)cc3)n(N)c2=O)c(OC)c1 28535637 PMDRWYLTAVDVSI-UHFFFAOYSA-N 419.894 3.059 0 40 HGAB Cc1ccc(CN2C[C@@H](C(=O)OCC(=O)Nc3ccccc3Cl)CC2=O)cc1 28609448 SMZRTXLXHMELAW-INIZCTEOSA-N 400.862 3.179 0 40 HGAB Cc1cc(C(=O)O)cc(S(=O)(=O)Nc2cccc(C(=O)N3CCCC3)c2)c1C 30530912 GBAJUOVNJWOCPA-UHFFFAOYSA-N 402.472 3.038 0 40 HGAB Cc1cc(-c2csc(NC(=O)CCNS(=O)(=O)c3cccnc3)n2)c(C)s1 30674313 MMNLLBRWGIKKDC-UHFFFAOYSA-N 422.557 3.191 0 40 HGAB Cc1cc(N2C[C@H](C(=O)NC3CCN(C(C)C)CC3)CC2=O)ccc1Br 32795775 OQLNKOVJBOFDGY-OAHLLOKOSA-N 422.367 3.099 0 40 HGAB CCCn1ccnc1SCC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 32801636 ZJFOBYOMEAUZGQ-UHFFFAOYSA-N 407.561 3.443 0 40 HGAB CC(=O)Nc1ccc(CNC(=O)[C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)cc1 32901155 NTCFCRLNSLDGFV-OAHLLOKOSA-N 419.403 3.333 0 40 HGAB Cc1cccc(NC(=O)C[S@@](=O)CC(=O)NC23CC4CC(CC(C4)C2)C3)c1C 35313711 SHWZGIJAICMVSH-HCPIOFFZSA-N 402.560 3.076 0 40 HGAB Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)CCn2ccc3ccccc32)CC1 35414216 HMCXYXJACUOSQT-UHFFFAOYSA-N 418.541 3.431 0 40 HGAB CS(=O)(=O)N1CC[C@H](C(=O)NC2CCCCCC2)Oc2ccc(Cl)cc21 38852370 BEOQFRWIYFXJJA-QGZVFWFLSA-N 400.928 3.096 0 40 HGAB COc1ccccc1[C@@H](NC(=O)NCCCc1nc2ccccc2[nH]1)c1nccn1C 40071893 AGGSEUZVOWDDKA-OAQYLSRUSA-N 418.501 3.326 0 40 HGAB CC[C@@H]1CCCCN1c1nc2c(c(=O)[nH]1)[C@@H](C(=O)Nc1ccc(C)cc1C)CC(=O)N2 40390639 DCJCPKWMUWTVKI-CVEARBPZSA-N 423.517 3.220 0 40 HGAB Cc1ccc(Cl)cc1N1CCN(C(=O)c2cccc(CN3CCOCC3)c2)CC1 44842515 RGDLHFXEIWZEHK-UHFFFAOYSA-N 413.949 3.443 0 40 HGAB C[C@@H](NC(=O)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1)c1ccc(F)cc1 44847557 UVXPMFDZVMXQHY-OAHLLOKOSA-N 422.497 3.384 0 40 HGAB Cc1cc(F)ccc1S(=O)(=O)N1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 58183399 IUUZLGYZRSNTLC-UHFFFAOYSA-N 400.479 3.488 0 40 HGAB O=C(c1ccc2c(c1)SC1=NS(=O)(=O)CCN12)N1CCC[C@@H]2CCCC[C@H]21 58405240 WZXODRMQZLJPJA-DZGCQCFKSA-N 405.545 3.093 0 40 HGAB O=C(O)CC1(CNC(=O)Cn2nc(-c3ccc(Cl)cc3)ccc2=O)CCCCC1 61721099 WQXZYXZGAHXLDJ-UHFFFAOYSA-N 417.893 3.105 0 40 HGAB O=C(CSCc1ccccc1)Nc1nnc([C@H]2CC(=O)N(c3ccccc3)C2)o1 62022955 FJYBDKZFTHJYSP-INIZCTEOSA-N 408.483 3.462 0 40 HGAB O=C(NCCCN1CCCCC1)C1CCN(C(=O)CCc2c[nH]c3ccccc23)CC1 72276927 GAUQPSKYBDGNSK-UHFFFAOYSA-N 424.589 3.331 0 40 HGAB COc1cc(C(=O)N2CCc3c(c(-c4ccccc4)nn3C)C2)cc(OC)c1OC 72346367 JDFFGEXLAHOVBJ-UHFFFAOYSA-N 407.470 3.311 0 40 HGAB C[C@H]1C[C@@H](C)CN(C(=O)CN2CCC[C@H](n3c(=O)oc4ccc(Cl)cc43)C2)C1 72347840 WDTZTVGVLFXGIB-UXLLHSPISA-N 405.926 3.389 0 40 HGAB CCOCc1ccc(C(=O)N2CCC([C@@H]3C[C@H](C(F)F)n4ncnc4N3)CC2)cc1 72395689 ICNIEUZCIUJIDM-ZWKOTPCHSA-N 419.476 3.357 0 40 HGAB CCOC(=O)[C@@H]1Oc2c(c(=O)oc3ccccc23)[C@@H]1c1sc(N(C)C)nc1C 79190397 DZKUOXUUBOVHFI-XJKSGUPXSA-N 400.456 3.080 0 40 HGAB biogenic COc1ccc(N2CCC[C@@H](C(=O)N[C@H](c3nc4ccccc4[nH]3)C(C)C)C2)nn1 95474137 NBSNZJQGUVUOAS-QRWLVFNGSA-N 408.506 3.091 0 40 HGAB COc1cc(/C=C2/N=C(c3ccccc3Cl)OC2=O)cc(Cl)c1OCC(N)=O 96019419 WGZRIYFMCRFMGY-VGOFMYFVSA-N 421.236 3.211 0 40 HGAB CNC(=O)[C@@]12CCC3(CCN(C(=O)Nc4cccc(Cl)c4)CC3)[C@@H]1CN(C)C2 96143837 RQOAFAPLMOAMDE-LAUBAEHRSA-N 404.942 3.042 0 40 HGAB CC(C)C(=O)N1CCc2c(nc3cc([C@H]4CCCN4C[C@H]4CC=CCC4)nn3c2O)C1 100234358 WJOGFGUCTNGPGA-LAUBAEHRSA-N 423.561 3.469 0 40 HGAB O=c1c(CN2CCc3ccccc3C2)coc(O)c1CN1CCc2ccccc2C1 100797315 FPSAKSFAKSRONC-UHFFFAOYSA-N 402.494 3.462 0 40 HGAB biogenic CCOC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)CCCN3C(C)=O)c(C)c1 223847582 DONSAPXMSDMDKF-UHFFFAOYSA-N 416.499 3.272 0 40 HGAB Cc1ccc(S(=O)(=O)N(C)c2cc(C(=O)NCc3ccncc3)ccc2C)cc1 224307998 QXIKSPRRDKCWHL-UHFFFAOYSA-N 409.511 3.454 0 40 HGAB CCN(c1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(OC)c(Br)c1 224881206 KLCDUWZGVPIMJP-UHFFFAOYSA-N 414.277 3.402 0 40 HGAB Cc1ccc(CCCNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)cc1 225520186 IRMGOTONMIELCA-OAQYLSRUSA-N 414.571 3.453 0 40 HGAB O=S(=O)(NCc1cccnc1-c1cccnc1)c1ccccc1Br 225643856 PGPBJJBNJQJZMH-UHFFFAOYSA-N 404.289 3.385 0 40 HGAB CC(C)(NS(=O)(=O)Cc1ccccc1)C(=O)Nc1ccc(OC2CSC2)cc1 225924442 YRIGTRQJPVLJOF-UHFFFAOYSA-N 420.556 3.018 0 40 HGAB FC(F)(F)c1ccc(N2CCN(C3CCN(Cc4cccnc4)CC3)CC2)nc1 252495235 OOCTUUSEVMLRFT-UHFFFAOYSA-N 405.468 3.282 0 40 HGAB CN(CC(=O)N1CCC[C@@H](c2ncc(Cc3ccccc3)o2)C1)Cc1cccnc1 257315066 UZTNHDJRWMHRTD-OAQYLSRUSA-N 404.514 3.498 0 40 HGAB O=C(CC1(O)CCCCC1)N1CCO[C@@H](c2ccc(Nc3ccc(F)cn3)cn2)C1 257316372 VFHRKZYBEMPOJU-LJQANCHMSA-N 414.481 3.345 0 40 HGAB Cc1ccc(-c2coc3cc(O[C@H](C)C(=O)O)cc(O[C@@H](C)C(=O)O)c3c2=O)cc1 263583509 FFJMMBJPBRMULW-OLZOCXBDSA-N 412.394 3.472 0 40 HGAB CCn1cc(CN2C[C@@H]3[C@@H](C2)c2cc(-c4ccc(F)cc4)ccc2S3(=O)=O)cn1 306140393 USEGVXDPURBOES-RBBKRZOGSA-N 411.502 3.464 0 40 HGAB CN(c1ccc(C(=O)N2CC(=O)Nc3ccccc32)cc1)S(=O)(=O)c1ccccc1 408614597 FASUFYBELDEWIK-UHFFFAOYSA-N 421.478 3.111 0 40 HGAB COc1ccc([C@@H]2[C@@H](NC(=O)c3ccccc3)C(=O)N/[N+]2=C\c2ccccc2C)cc1 409061009 BJKVTOLIPYXWHE-WFZBXURCSA-O 414.485 3.020 0 40 HGAB Cc1ccc(Cl)cc1NC(=O)COC(=O)[C@H]1CC(=O)N(c2ccccc2C)C1 409134898 QCOGLFDPBKDUNM-HNNXBMFYSA-N 400.862 3.492 0 40 HGAB CCc1ccc(N(CC(=O)NC[C@H]2CCCO2)S(=O)(=O)c2ccc(C)cc2)cc1 409407916 AXLJNFHZWXYERU-HXUWFJFHSA-N 416.543 3.048 0 40 HGAB CCS(=O)(=O)c1ccc2oc(CN3CCO[C@@]4(CCc5ccccc54)C3)nc2c1 510650797 WUXNDFQSRBIVGK-QFIPXVFZSA-N 412.511 3.295 0 40 HGAB CCc1cc(C(=O)N[C@H](C)c2ccccc2NS(=O)(=O)c2cccs2)n[nH]1 533150340 ATTDMYNRTUAFTI-GFCCVEGCSA-N 404.517 3.325 0 40 HGAB CC[C@H](C)[C@@H](NC(=O)c1ccc2nc[nH]c2n1)C(=O)Nc1cccc(N2CCCC2)c1 542603481 HXYXIBMBEDCFIA-MGPUTAFESA-N 420.517 3.341 0 40 HGAB O=C(Cn1ncc2ccccc2c1=O)N[C@@H](c1c[nH]c2ccccc12)C(F)(F)F 553162316 OLIQTBUGMGBIEO-SFHVURJKSA-N 400.360 3.298 0 40 HGAB O=C(COc1ccccc1)Nc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 670672 NZFWWTYYEMKQSZ-UHFFFAOYSA-N 408.479 3.456 0 40 HGAB O=C(CCC(=O)NN1C(=O)c2ccccc2C1=O)Nc1ccc(Cl)cc1Cl 1003637 CZBALTKBWCFMAL-UHFFFAOYSA-N 406.225 3.040 0 40 HGAB O=C1N(CCN2CCC3(CC2)OCCO3)CCN1c1cc(Cl)cc(Cl)c1 1872322 MMTXDKNRPSSVDS-UHFFFAOYSA-N 400.306 3.074 0 40 HGAB Cc1ccc(CN2C[C@@H](C(=O)Nc3cc(S(C)(=O)=O)ccc3Cl)CC2=O)cc1 2634933 ITGWFWMDOPAOJS-HNNXBMFYSA-N 420.918 3.039 0 40 HGAB Cc1ccc2cc(CN(CCN(C)C)C(=S)NCc3ccccc3)c(=O)[nH]c2c1 4133448 LOZWMTNUBAPMFC-UHFFFAOYSA-N 408.571 3.275 0 40 HGAB O=C(NCc1ccccc1)C(=O)NC[C@H](c1cccs1)N1CCc2ccccc21 4305606 LUYVESGMIVFKBZ-HXUWFJFHSA-N 405.523 3.285 0 40 HGAB Cc1nc(SCC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)c2ccccc2n1 4562852 HSKWGUKABXKJPQ-UHFFFAOYSA-N 410.455 3.150 0 40 HGAB COc1ccc(-c2cc(C(F)(F)F)nc(S[C@@H]3CC(=O)[C@H]4OC[C@@H]3O4)n2)cc1 4573553 FVQZTNDUBJENLU-LZWOXQAQSA-N 412.389 3.346 0 40 HGAB CC(C)NC(=O)c1ccc2c(c1)N(CC(=O)Nc1ccc(F)cc1)C(=O)C(C)(C)O2 4965805 JAQWJVUVORUSEY-UHFFFAOYSA-N 413.449 3.107 0 40 HGAB CCc1ccc(CN(C(=O)COc2ccc(C)c(C)c2)[C@H]2CCS(=O)(=O)C2)cc1 5086024 XZGKZTGSWRWJHC-NRFANRHFSA-N 415.555 3.461 0 40 HGAB C[C@@]12CC[C@@]3(C)OCC(COC(=O)[C@@](O)(c4ccccc4)C4CCCCC4)(CO1)N23 5385214 XZQPPAAMBUJAJS-MBDJBHLASA-N 415.530 3.325 0 40 HGAB O=C(NC(=S)Nc1cccc(NC(=S)NC(=O)C2CCCC2)n1)C1CCCC1 5559831 RJJNKOJPQPXJCP-UHFFFAOYSA-N 419.576 3.088 0 40 HGAB CC(=O)c1ccc(OCCCC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)cc1 5865889 WCBYGLGJMZEUAV-UHFFFAOYSA-N 418.515 3.246 0 40 HGAB CC(C)CN(c1ccccc1)S(=O)(=O)c1nnc(NC(=O)c2ccco2)s1 6818258 OAHZCCXGPGWEMA-UHFFFAOYSA-N 406.489 3.235 0 40 HGAB O=C(CSc1nnc(C2CCCCC2)o1)N1CCN(C(=O)c2cccs2)CC1 6880937 KYDAMZQOCFBGBE-UHFFFAOYSA-N 420.560 3.256 0 40 HGAB Cn1c(S[C@H](C(=O)N2CCOCC2)c2ccccc2)nnc1-c1ccc(F)cc1 7087183 GVUAAEFJPIHWRT-SFHVURJKSA-N 412.490 3.313 0 40 HGAB CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CCc1nnc(-c2ccc(C)cc2)o1 7775522 BRSHTQWJOKXLRT-UHFFFAOYSA-N 417.469 3.263 0 40 HGAB O=C([C@@H]1CN(C(=O)Cc2noc3ccccc23)c2ccccc2O1)N1CCCCC1 7825595 BVCQWDMBYVOWHT-NRFANRHFSA-N 405.454 3.177 0 40 HGAB COc1ccc(CC[C@]2(C)NC(=O)N([C@@H](C)C(=O)Nc3ccccc3F)C2=O)cc1 8389255 WQMCFMVBFRABTE-FPTDNZKUSA-N 413.449 3.105 0 40 HGAB CC[C@@H](Oc1ccccc1F)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 8477852 PINQCJXXVPILGA-GOSISDBHSA-N 406.479 3.406 0 40 HGAB Cc1cc(C(=O)CN2C(=O)N[C@@](C)(c3ccc4c(c3)OCO4)C2=O)c(C)c(C)c1C 9092675 URASDCLFJXTCED-QHCPKHFHSA-N 408.454 3.299 0 40 HGAB CCC(=O)N(c1nnc(SCc2cc(=O)n3ccc(C)cc3n2)s1)C1CC1 9577903 NUZGLPDARSWZDN-UHFFFAOYSA-N 401.517 3.052 0 40 HGAB COCCCn1c(=O)c2ccccc2n2c(SCc3cn4ccccc4n3)nnc12 9608405 NUHZQWWDLZSWME-UHFFFAOYSA-N 420.498 3.021 0 40 HGAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2SC)cc1C 10301482 XJUREQQFJFFSHH-UHFFFAOYSA-N 408.545 3.375 0 40 HGAB C[C@@H](OC(=O)c1nn(-c2ccc(F)cc2)c2c1CCCC2)C(=O)NCC(F)(F)F 10886483 FZRKONBHLMPMCY-LLVKDONJSA-N 413.371 3.114 0 40 HGAB O=c1oc2cc(S(=O)(=O)N3CCCCC3)ccc2n1Cc1ccc(Cl)cc1 11689713 JCTXWUDTEKQFMC-UHFFFAOYSA-N 406.891 3.471 0 40 HGAB Cc1cccc(C(=O)N(Cc2ccc(Br)o2)[C@H]2CCS(=O)(=O)C2)c1 11914018 UHMXJRWILFVYNP-AWEZNQCLSA-N 412.305 3.180 0 40 HGAB COc1ccc(Nc2nc(NCCc3ccccc3)nc(N3CCOCC3)n2)cc1 12235105 SFLMTPHHNMSVRP-UHFFFAOYSA-N 406.490 3.115 0 40 HGAB CCN(c1ccc(NC(=O)CCc2c(C)nc3c(C(N)=O)ncn3c2C)cc1)C(C)C 12757944 FUFBUAJXSZSHEW-UHFFFAOYSA-N 422.533 3.251 0 40 HGAB Cc1ccc(CCC2CCN(S(=O)(=O)c3ccc(S(C)(=O)=O)cc3)CC2)cc1 12775245 KPSUBMVHTLQBHA-UHFFFAOYSA-N 421.584 3.432 0 40 HGAB CCN(CC)S(=O)(=O)c1cc(C(=O)OCc2ccc(OC)cc2)ccc1OC 12782555 JPLSNTQGHSGPST-UHFFFAOYSA-N 407.488 3.091 0 40 HGAB Cc1nc(CN2CCN(C(=O)c3ccc(NC(=O)c4ccco4)cc3)CC2)cs1 12866307 VHKTXMNOBBRSDI-UHFFFAOYSA-N 410.499 3.255 0 40 HGAB Cc1cc(C)n(CCCNC(=O)CCc2c(C)nc3c4ccccc4nn3c2C)n1 12984211 RXTVXXLFMUCTMN-UHFFFAOYSA-N 404.518 3.452 0 40 HGAB COc1ccc2nc(C(=O)Nc3cccc(S(=O)(=O)N4CCCC4)c3)ccc2c1 13011607 WFYPFQZYRNLKHA-UHFFFAOYSA-N 411.483 3.280 0 40 HGAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(C(F)(F)F)cc2)cc1 13633158 GCAZGHCGQGPSQV-UHFFFAOYSA-N 416.421 3.363 0 40 HGAB COc1ccccc1NC(=O)C[C@@H]1C(=O)Nc2nc(SCc3ccccc3)nn21 13722278 GRLTWKISMWAQRW-OAHLLOKOSA-N 409.471 3.101 0 40 HGAB C[C@@H](Oc1ccccc1F)C(=O)N1CC[C@@H](c2cc(O)nc(-c3ccncc3)n2)C1 19077678 IDVXEYXWPSKWCF-GDBMZVCRSA-N 408.433 3.167 0 40 HGAB CC(C)c1nc(N2CCC(NC(=O)c3cccnc3)CC2)ncc1-c1ccncc1 19451659 VAIKNUFXZVIAIC-UHFFFAOYSA-N 402.502 3.456 0 40 HGAB COc1cccc(CN2CCC[C@H](c3nc(-c4ccncc4)cc(=O)[nH]3)C2)c1OC 19567849 RYTLECXNHRMZGX-SFHVURJKSA-N 406.486 3.229 0 40 HGAB Cc1cc(C)cc(-c2ccc(C[C@H]3CN(C(=O)c4cc[nH]n4)CCN(C)C3=O)cc2)c1 19569813 QNKVQOKFYCRWSS-QFIPXVFZSA-N 416.525 3.467 0 40 HGAB COc1ccc(Cc2cnc(NC(=O)CCc3c(C)nc4ncnn4c3C)s2)cc1 19578606 HLDJVPYIBVTSOD-UHFFFAOYSA-N 422.514 3.368 0 40 HGAB Cc1nc(CC(=O)N[C@@H]2CCc3ccc(S(=O)(=O)NC4CCCC4)cc32)cs1 19749519 GCMRKHGENPIJBR-LJQANCHMSA-N 419.572 3.019 0 40 HGAB COc1ccc(CNC(=O)c2cn(CCF)c3c(F)c(OC)c(F)cc3c2=O)cc1 20745557 GCQJGOYPDNWHBV-UHFFFAOYSA-N 420.387 3.196 0 40 HGAB O=S(=O)(c1cccc(CN2CCCSc3ccccc32)c1)N1CCOCC1 21299683 CYILRQNACBNHGN-UHFFFAOYSA-N 404.557 3.210 0 40 HGAB Cc1ccc(OC[C@@H](C)NC(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)cc1 22330285 RHDKXJRUHYFPLC-GOSISDBHSA-N 418.559 3.468 0 40 HGAB CC[C@H](C(=O)N(C)Cc1ccccc1OC)N(c1ccc(F)cc1)S(C)(=O)=O 22532336 XGDBFEFMNOPTOD-GOSISDBHSA-N 408.495 3.038 0 40 HGAB CCOC(=O)C1CCN([C@H](c2ccccc2F)c2sc3nc(C)nn3c2O)CC1 22626243 QUGMFKLALZNCCV-MRXNPFEDSA-N 418.494 3.308 0 40 HGAB Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)N[C@@H](C)c2ccccc2)CC1 24611051 VBTOTVGVOKGWNE-SFHVURJKSA-N 400.544 3.414 0 40 HGAB Cc1ccc(-n2nc(C)c(NC(=O)Cn3ncc(Cl)c(Cl)c3=O)c2C)cc1 24980801 QEFUDADYXMEYHP-UHFFFAOYSA-N 406.273 3.300 0 40 HGAB O=C(NCCNc1ncc(C(F)(F)F)cc1Cl)c1ccc(Cn2cncn2)cc1 25339602 OFORZHUZFAIGJT-UHFFFAOYSA-N 424.814 3.236 0 40 HGAB COc1cc(C(C)=O)ccc1OCC(=O)NC[C@H](C(C)C)N1CCc2ccccc2C1 25534956 KIDJPEQIOOBKOY-JOCHJYFZSA-N 424.541 3.476 0 40 HGAB C/C=C\C1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)[C@@H](N)[C@@H]2SC1 26892934 KGHADALWBFAJHM-ASYMCESMSA-N 406.507 3.392 0 40 HGAB Cc1ccc(CN2C[C@@H](C(=O)OCC(=O)Nc3cccc(Cl)c3C)CC2=O)cc1 28609424 NJUKXLSTXXMGJB-KRWDZBQOSA-N 414.889 3.487 0 40 HGAB CS(=O)(=O)N1CC[C@@H](C(=O)NC2CCCCCCC2)Oc2ccc(Cl)cc21 30944138 QSNXHMGTAXUINI-SFHVURJKSA-N 414.955 3.486 0 40 HGAB CCN1CCN(c2ccccc2NC(=O)[C@H](C)NC(=O)OCc2ccccc2)CC1 32905010 FZTUHCXTBGYXRW-SFHVURJKSA-N 410.518 3.082 0 40 HGAB CCc1nnc(NC(=O)CSc2ccc(-c3ccc4c(c3)OCCO4)nn2)s1 35315422 MRVAAGJBWOIBRB-UHFFFAOYSA-N 415.500 3.060 0 40 HGAB COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)c2cc(C)n(C3CC3)c2C)cc1 39978235 BJEAZPXAOJYDDG-ZDUSSCGKSA-N 405.520 3.005 0 40 HGAB O=C(NCc1ccc(N2CCCCC2)nc1)NCc1ccc(N2CCCCC2)nc1 40121952 JMKSRECKBTVIBN-UHFFFAOYSA-N 408.550 3.457 0 40 HGAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)c(Br)c1 40140982 RJZXZABIBRFXKK-NSHDSACASA-N 417.259 3.389 0 40 HGAB COc1cccc(N(CC(=O)N[C@H](CC(C)C)c2ccccc2)S(C)(=O)=O)c1 44900385 ZYVLEXZHOJLALE-HXUWFJFHSA-N 404.532 3.365 0 40 HGAB Cc1onc(-c2ccc(F)cc2)c1C(=O)NCc1cccc(NS(C)(=O)=O)c1 46327293 YVSISOJOGKHICQ-UHFFFAOYSA-N 403.435 3.091 0 40 HGAB O=C(Cc1csc(Cc2ccccn2)n1)NCc1ccc(N2CCCC2=O)cc1 48230119 OVRHDJICUISLHJ-UHFFFAOYSA-N 406.511 3.115 0 40 HGAB COc1cccc(CNC(=O)c2snc(-c3ccccn3)c2NC(=O)C2CC2)c1 49007829 BKKZHZLTOJZVIY-UHFFFAOYSA-N 408.483 3.492 0 40 HGAB CCOc1ccc(NC(=O)Cn2nc3ccc(-c4ccc(C)c(C)c4)nn3c2=O)cc1 49399267 MMKGTNPCEVKYJW-UHFFFAOYSA-N 417.469 3.212 0 40 HGAB O=C(NCCc1ccc(-n2cccn2)cc1)N[C@@H](C(=O)N1CCCC1)c1ccccc1 56828764 PKOFYYGZYJNTBH-JOCHJYFZSA-N 417.513 3.078 0 40 HGAB Cc1nc(-c2cccc(NC(=O)[C@H]3COCC(=O)N3Cc3ccccc3)c2)cs1 70641537 RFSDMJWLMIAMSJ-HXUWFJFHSA-N 407.495 3.485 0 40 HGAB CC(=O)N[C@H](CC(=O)N1CCO[C@@H]2CCCC[C@@H]21)c1ccc(Br)cc1 84752803 CELPNZQYSKCRSK-FGTMMUONSA-N 409.324 3.186 0 40 HGAB CCN1CCn2c(-c3cnn(C)c3)cnc2C12CCN(Cc1ccc(OC)cc1)CC2 96037020 NWVLTLWEIOLXRV-UHFFFAOYSA-N 420.561 3.119 0 40 HGAB CC(C)c1nc2cc(NC(=O)CC[C@@H]3NC(=O)c4ccccc4NC3=O)ccc2[nH]1 96113720 NUUNOGCMDPQQKY-KRWDZBQOSA-N 405.458 3.156 0 40 HGAB biogenic CC(=O)N1CCc2nc3cc([C@H]4CCCCN4Cc4ccc(F)cc4)nn3c(O)c2C1 100242875 DWXYOAQOKQXWID-OAQYLSRUSA-N 423.492 3.206 0 40 HGAB Cc1cc2sc(NC(=O)[C@H](C)N3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)nc2cc1Cl 100774919 CHBGUNFSPXSJKF-WQFFQYHTSA-N 415.902 3.392 0 40 HGAB CCOCCCNC(=O)c1ccc2[nH]cc3c(=O)n(-c4ccc(C)cc4)nc-3c2c1 101281998 PDESBLBNPWXOMW-UHFFFAOYSA-N 404.470 3.283 0 40 HGAB CC(=O)Nc1ccc(N2C(=O)C[C@H](NCCc3c[nH]c4ccc(Cl)cc34)C2=O)cc1 105331244 DJDMICDWJVQSJI-FQEVSTJZSA-N 424.888 3.244 0 40 HGAB O=C1[C@H]2CC=CC[C@H]2C(=O)N1C1CN(C(=O)C2(c3ccc(Cl)cc3)CCCC2)C1 217725393 GDDSBNUHFMZUCM-KDURUIRLSA-N 412.917 3.314 0 40 HGAB CC[C@@H](NS(=O)(=O)c1ccc(N2CCCC2=O)cc1)c1ccc(OC)c(OC)c1 219220755 UMNDVTVFHUIKIJ-GOSISDBHSA-N 418.515 3.260 0 40 HGAB COc1ccc(OC)c(N([C@@H](C)C(=O)Nc2c(C)cc(C)cc2C)S(C)(=O)=O)c1 220215023 NXLCLOWMNVJBNT-INIZCTEOSA-N 420.531 3.422 0 40 HGAB CCc1ccc(N([C@H](C)C(=O)NCCSCc2ccco2)S(C)(=O)=O)cc1 220272049 PFSGFRWPCBKGFM-OAHLLOKOSA-N 410.561 3.046 0 40 HGAB CCn1c(=O)sc2cc(S(=O)(=O)NCCOc3cccc(C)c3C)ccc21 223974039 SCGMALGGAFSPQG-UHFFFAOYSA-N 406.529 3.057 0 40 HGAB CS(=O)(=O)Nc1ccc(C(=O)NCCOc2ccc(Cl)cc2)c(Cl)c1 224406000 YDUWJFVEDQHUKX-UHFFFAOYSA-N 403.287 3.174 0 40 HGAB COC(=O)c1ccc(C)c(S(=O)(=O)NCc2ccc(CN3CCCCC3)cc2)c1 224535926 JQBRFBLFQGEHEW-UHFFFAOYSA-N 416.543 3.246 0 40 HGAB COC(=O)c1cc(S(=O)(=O)N[C@H](C)c2cc(OC)ccc2OC)ccc1Cl 224619924 DHDHEPNGMMEPCW-LLVKDONJSA-N 413.879 3.183 0 40 HGAB COc1cccc(-c2cnc(-c3ccccc3C(=O)N3CCC(C(N)=O)CC3)o2)c1 224902693 KUUZWIYVENUMSZ-UHFFFAOYSA-N 405.454 3.355 0 40 HGAB CCS(=O)(=O)N(C)c1ccc(C(=O)Nc2nnc(SC(C)C)s2)cc1 225166039 RWKCHXZAERATLJ-UHFFFAOYSA-N 400.551 3.077 0 40 HGAB CC1(C)O[C@@H]2O[C@H](C(=O)Oc3cccc4ccccc34)[C@@H]3OC(C)(C)O[C@H]3[C@@H]2O1 245026713 NHZBMHKKEJZBSF-JGLNRKDHSA-N 400.427 3.142 0 40 HGAB biogenic O=C1N[C@]2(C[C@H]3CC[C@H]2C[C@@H]3C(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)Oc2ccccc21 247710642 JACHWOMCHFUKFN-KTDQURPLSA-N 424.541 3.095 0 40 HGAB CC1(C)CN(C(=O)c2ccccc2)C[C@@H]2CN(C(=O)CCc3ccccc3)CCN21 253396320 DRSCSMOKQVGRAX-QFIPXVFZSA-N 405.542 3.067 0 40 HGAB biogenic,in-vitro Cc1onc(-c2ccccc2Cl)c1C(=O)NCc1cc(-c2cnccn2)nn1C 253472610 NVXYGGYZOCEMRJ-UHFFFAOYSA-N 408.849 3.424 0 40 HGAB O=C(NC[C@](O)(c1ccoc1)c1cccs1)C(=O)Nc1ccc(F)c(Cl)c1 253473447 UXPRCMHOCIPZLL-SFHVURJKSA-N 408.838 3.124 0 40 HGAB Cc1cc(Nc2cccc(F)c2)cc([C@H]2CCN(S(=O)(=O)c3cn(C)cn3)C2)n1 257344361 ZWWUKKOSORFXNB-HNNXBMFYSA-N 415.494 3.184 0 40 HGAB CCOC(=O)c1c(NC(=O)c2ccccc2NS(C)(=O)=O)sc2c1CCC2 408614933 JZMHKOJLZWDBLC-UHFFFAOYSA-N 408.501 3.037 0 40 HGAB Cc1cc(C)cc(NC(=O)CN2C(=O)S/C(=C3\C(=O)Nc4ccccc43)C2=O)c1 409349706 RELVIZYPEJDUPQ-ZCXUNETKSA-N 407.451 3.301 0 40 HGAB CC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)NC2CCCCC2)cc1Cl 409358032 JTVLNUYZMFLTBF-CYBMUJFWSA-N 402.944 3.245 0 40 HGAB Cc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(=O)NCc1ccccc1Cl 409389727 IQPAPJRDUAYJIC-UHFFFAOYSA-N 422.934 3.128 0 40 HGAB Cc1cc2c(cc1C)[C@]1(CCO2)C[C@H]1C(=O)NCc1ccc(CN2CCOCC2)o1 583615068 WOYCEBQFUBDFMF-URXFXBBRSA-N 410.514 3.085 0 40 HGAB Cc1cccc(-c2ccc3c(c2)C2(CCOCC2)CN3C(=O)CN2CCN(C)CC2)c1 585105857 UONFLWCHHWRASX-UHFFFAOYSA-N 419.569 3.304 0 40 HGAB O=C(c1ccc2ccccc2n1)N1CCC(Cn2nc3c(cc2=O)CCCC3)CC1 585499613 LCTRKXOIVZXCAC-UHFFFAOYSA-N 402.498 3.223 0 40 HGAB C[C@H](CC(=O)N[C@@H]1CCO[C@@H](c2cccs2)C1)S(=O)(=O)c1ccc(F)cc1 1535288178 GQXLJNCZSSUIMA-FRFSOERESA-N 411.520 3.476 0 40 HGAB O=C(NCc1nnc(-c2ccccc2)s1)[C@H](O)c1cccc(Br)c1 1622781998 WLGHRYVSLUUTOA-OAHLLOKOSA-N 404.289 3.317 0 40 HGAB C[C@@H](CNS(=O)(=O)C1=Cc2cc(Br)ccc2OC1)c1ccccn1 1664421160 CFSGAFDWIPXCLQ-LBPRGKRZSA-N 409.305 3.301 0 40 HGAB CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(S(=O)(=O)N2CCC(C)CC2)cc1 920947 OXTUWWLMLROBLC-QGZVFWFLSA-N 414.593 3.060 0 40 HGAB COc1cc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)cc(OC)c1 1361904 JVYQDWRVJCFZJS-INIZCTEOSA-N 418.515 3.052 0 40 HGAB COC(=O)[C@@](NC(=O)c1ccc(Cl)cc1)(Nc1ncc(C)s1)C(F)(F)F 2050295 ZGPGVUGARCFZOG-CQSZACIVSA-N 407.801 3.378 0 40 HGAB CCN1C(=O)/C(=C\c2cnn(CC)c2)N=C1SCC(=O)Nc1cc(C)ccc1C 2783972 BXCZZKRMHDAOEC-VCHYOVAHSA-N 411.531 3.451 0 40 HGAB C[C@]12CC(=O)[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@]21OCO[C@]12COCO2 4025870 XFMPZUDTDPMMJQ-USJUVAGOSA-N 402.487 3.141 0 40 HGAB biogenic CCCOc1ccc([C@H]2C(C(=O)Nc3ccccc3OC)=C(C)Nc3nnnn32)cc1 4070680 BIAGTKYEUCIUHZ-FQEVSTJZSA-N 420.473 3.398 0 40 HGAB Cc1ccc(Cl)cc1NC(=O)COC(=O)c1ccc(N2C(=O)CCC2=O)cc1 4351931 FTZIDJFBKMMHBL-UHFFFAOYSA-N 400.818 3.097 0 40 HGAB C[C@]1(c2ccccc2Cl)NC(=O)N(CC(=O)NC23CC4CC(CC(C4)C2)C3)C1=O 4477854 YJTIVZCBRHLNJZ-QEXACSHWSA-N 415.921 3.192 0 40 HGAB Cn1c(CCC(=O)Nc2ccccc2F)nnc1SCC(=O)Nc1ccccc1 4777260 ODTORWITYLHGFR-UHFFFAOYSA-N 413.478 3.256 0 40 HGAB O=C(COC(=O)c1cc(Br)ccc1O)NC12CC3CC(CC(C3)C1)C2 4808083 AFGCLQUPSBMYMI-UHFFFAOYSA-N 408.292 3.397 0 40 HGAB O=C(CSc1nc2ccccc2n1CC(=O)N1CCCC1)NC1CCCCC1 4859129 KANXTQDMKGHUIB-UHFFFAOYSA-N 400.548 3.200 0 40 HGAB Cc1ccc([C@H](C(=O)NC(C)(C)C)N(C[C@@H]2CCCO2)C(=O)c2csnn2)cc1 4965264 JKHPWLWIUDJMAS-FUHWJXTLSA-N 416.547 3.124 0 40 HGAB CCN1CCc2c(sc(NC(=O)CCSc3ccc(F)cc3)c2C(N)=O)C1 5192752 RQAKJCMBQLZUAS-UHFFFAOYSA-N 407.536 3.485 0 40 HGAB CCCNC(=O)[C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C)C(C)C 5353831 UFGDSNPYGGWBBI-OALUTQOASA-N 417.550 3.015 0 40 HGAB Cn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccccc1C(=O)NC1CC1 5530631 HZWWIYLAGXZBCL-UHFFFAOYSA-N 421.526 3.029 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)Cc1ccccc1F 5558991 QAJOLEIZTAEKNW-UHFFFAOYSA-N 406.479 3.190 0 40 HGAB O=C(CCCCCCNS(=O)(=O)c1ccccc1)NCCOc1ccccc1 5737608 AMCWBHIGIGTCJD-UHFFFAOYSA-N 404.532 3.111 0 40 HGAB O=S(=O)(c1ccccc1)[C@]1([C@@]2(S(=O)(=O)c3ccccc3)CCN=N2)CCN=N1 5812523 VVNMPAFXHDPBIP-ROUUACIJSA-N 418.500 3.039 0 40 HGAB CC(C)OCCCNC(=O)CN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 6344403 FXSLCZXSLDDKQX-UHFFFAOYSA-N 420.531 3.176 0 40 HGAB CCOc1ccc(NC(=O)CSc2nccn(-c3ccc(OC)cc3)c2=O)cc1 6915509 CMAQIFFSPAJDGJ-UHFFFAOYSA-N 411.483 3.371 0 40 HGAB CC(=O)NCc1ccc(-c2csc(NC(=O)[C@@H]3COc4ccccc4O3)n2)s1 7269594 OOOWPMWZPKMEBC-INIZCTEOSA-N 415.496 3.286 0 40 HGAB COc1ccc(CN(C)C(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)cc1 7871809 WYXKCYRZDTVLIP-UHFFFAOYSA-N 404.532 3.243 0 40 HGAB CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)c1ccc(-n2ccnc2)cc1 7988553 ZIFLTYDBOGEVIP-HJPURHCSSA-N 415.497 3.278 0 40 HGAB O=C(NN1C(=O)NC2(CCCCC2)C1=O)c1cccc(OCc2ccc(F)cc2)c1 8315919 USPYPTWYBDKXEG-UHFFFAOYSA-N 411.433 3.304 0 40 HGAB CCCOC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)Nc2ccccc2)cc1 8415083 YWHGCZXOOPXSPH-UHFFFAOYSA-N 412.442 3.154 0 40 HGAB C[C@@H]1CCCC[C@@H]1NC(=O)CC[C@@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O 8764300 JCHMEGONFIBRDV-BPAFIMBUSA-N 410.518 3.106 0 40 HGAB biogenic C[C@H]1CCCN(C(=O)Cc2csc(NS(=O)(=O)c3ccc(Cl)cc3)n2)C1 9828491 NPIJXOUTMKYKAO-LBPRGKRZSA-N 413.952 3.398 0 40 HGAB COc1ccc(OC)c(C(=O)COC(=O)Cc2cc(Cl)c3c(c2)OCCO3)c1 10738088 CJWTXTIQBKDFMK-UHFFFAOYSA-N 406.818 3.097 0 40 HGAB O=C(CN(Cc1ccco1)[C@H]1CCS(=O)(=O)C1)Nc1cc(Cl)cc(Cl)c1 10833834 BBRNZACWFCIQCX-HNNXBMFYSA-N 417.314 3.214 0 40 HGAB O=C(NCCn1nc(-c2cccnc2)ccc1=O)C1c2ccccc2Oc2ccccc21 11743789 BTCNMSAVPPSUEO-UHFFFAOYSA-N 424.460 3.359 0 40 HGAB Cc1sc(-c2c(Cl)cccc2Cl)nc1C(=O)N[C@@H]1CCS(=O)(=O)C1 11865751 SAMIMRBLALUBPV-SECBINFHSA-N 405.328 3.342 0 40 HGAB O=C(c1ccccc1F)N(Cc1ccc(Br)o1)[C@H]1CCS(=O)(=O)C1 11914044 UTPXNAJDYSLOGS-NSHDSACASA-N 416.268 3.011 0 40 HGAB COc1ccccc1N1C[C@H](c2nc3ccccc3n2CC(=O)N2CCCC2)CC1=O 12062136 DTJMWSQBHNELJC-QGZVFWFLSA-N 418.497 3.188 0 40 HGAB O=C1NC2(CCN(CC(=O)N3CCC[C@H](c4ccccc4)C3)CC2)Oc2ccccc21 12145789 HOYUUIKZMYMSLI-FQEVSTJZSA-N 419.525 3.007 0 40 HGAB Cc1cc(-c2cnc(NC3CC3)nc2C2CCN(C(=O)c3cccnc3)CC2)on1 12224793 VFBZKORZBZKFTD-UHFFFAOYSA-N 404.474 3.429 0 40 HGAB CC(C)(C)OC(=O)N[C@H](CC(=O)O)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 12648387 AMYNHEBCBXEIAG-IAGOWNOFSA-N 406.479 3.403 0 40 HGAB C[C@H](NC(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1)c1ccccc1Cl 12911726 DANXRVOJGKGIRP-HOCLYGCPSA-N 422.934 3.288 0 40 HGAB O=C(c1ccco1)N1CCN(c2ncc(-c3ccccn3)c(-c3ccco3)n2)CC1 13267999 CMTZXHVUQDQLEG-UHFFFAOYSA-N 401.426 3.354 0 40 HGAB CCc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cc(F)ccc3OC)C2)cc1 13580629 IOSRIOYOUGOHEQ-MRXNPFEDSA-N 420.506 3.436 0 40 HGAB CC1CCC2(CC1)NC(=O)N(CC(=O)N[C@H](C)c1ccccc1Br)C2=O 14187148 FJQLRZBRTIIZDT-FWHMADFJSA-N 422.323 3.127 0 40 HGAB COc1ccc2c(CC(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)coc2c1 14227748 WOWOFBYCOKWOMC-UHFFFAOYSA-N 408.454 3.057 0 40 HGAB CC(C)(C)c1ccc(C(=O)NCCS(=O)(=O)N2CCc3ccccc3C2)cc1 17112870 SISCMLMSIFSRFV-UHFFFAOYSA-N 400.544 3.102 0 40 HGAB CNC(=O)[C@@]1(Cc2cccc(-c3cccs3)c2)CCCN(C(=O)CCOC)C1 19591082 SKBXLSHPLJCXPY-JOCHJYFZSA-N 400.544 3.349 0 40 HGAB Cc1nc(C2CCN(Cc3ccnn3C)CC2)nc2c1CCC(=O)N2C1CCCC1 19739503 JQFLRVKIPVFKHL-UHFFFAOYSA-N 408.550 3.120 0 40 HGAB CCn1nccc1C(=O)N1CCC[C@@H](NC(=O)c2ccc(C(F)(F)F)nc2C)CC1 19749094 MZJMFFSZGSGLJH-CQSZACIVSA-N 423.439 3.050 0 40 HGAB O=C(Nc1ccc(F)c(F)c1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1 19931156 CCZRGDHCAOOSPL-FQEVSTJZSA-N 416.449 3.493 0 40 HGAB CCOc1cccc(CNC(=O)[C@H](C)N(c2cc(C)ccc2C)S(C)(=O)=O)c1 20050977 JSQJCGTWHNLTGW-KRWDZBQOSA-N 404.532 3.173 0 40 HGAB CCOc1ccc(C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1C 20768425 KRLIVQGSUBXJSL-UHFFFAOYSA-N 416.543 3.498 0 40 HGAB C[C@]1(CCc2ccccc2)NC(=O)N(CC(=O)NCCCCc2ccccc2)C1=O 21398041 GQNDHCORFNUPNH-XMMPIXPASA-N 407.514 3.069 0 40 HGAB COc1ccc(Br)cc1CN(C)CN1C(=O)NC2(CCC(C)CC2)C1=O 22312006 XFNBZISOGUBQAY-UHFFFAOYSA-N 424.339 3.348 0 40 HGAB CC(C)Oc1ccc(N(CC(=O)NCc2ccccc2Cl)S(C)(=O)=O)cc1 22391648 ADMJGRHFURIGDG-UHFFFAOYSA-N 410.923 3.210 0 40 HGAB Cc1nc2sc([C@H](c3ccco3)N3CCN(Cc4ccccc4)CC3)c(O)n2n1 22459062 XBYQNPDQLZDCEJ-SFHVURJKSA-N 409.515 3.305 0 40 HGAB Cc1cc(S(=O)(=O)NC(C)C)ccc1OCC(=O)N[C@@H](C)c1ccc(F)cc1 22537215 MYLHJIGZZLUPFR-HNNXBMFYSA-N 408.495 3.077 0 40 HGAB NC(=O)C1CCN([C@H](c2ccccc2)c2sc3nc(-c4ccco4)nn3c2O)CC1 22851764 QBTNTLMFHBIIPC-MRXNPFEDSA-N 423.498 3.043 0 40 HGAB O=S(=O)(NC[C@H](c1ccco1)N1CCc2ccccc2C1)c1ccc(F)cc1 22907140 SPDVSBUQMHDIQS-HXUWFJFHSA-N 400.475 3.497 0 40 HGAB O=C(NCc1ccccc1CN1CCOCC1)c1ccc(Br)cc1F 23074556 DSQMNAVXZNBEFW-UHFFFAOYSA-N 407.283 3.350 0 40 HGAB Cc1cc(NC(=O)C(=O)NCC2CCN(Cc3ccco3)CC2)c2ccccc2n1 23127494 GOYUAOHPJXCBTH-UHFFFAOYSA-N 406.486 3.103 0 40 HGAB CNc1nc(N2CCN(c3ccccn3)CC2)nc2c1C(=O)C[C@@H](c1ccccc1)C2 24755135 JSOGDPLEGWEVBY-SFHVURJKSA-N 414.513 3.153 0 40 HGAB O=c1c(Cl)c(NC[C@@H](c2cccs2)N2CCOCC2)cnn1-c1ccccc1 25572919 KXYPHYMILHUJNT-KRWDZBQOSA-N 416.934 3.433 0 40 HGAB CC(=O)c1c(C)[nH]c(-c2csc(CN3C(=O)c4ccccc4S3(=O)=O)n2)c1C 25667436 PMMNBGYHZMMLTL-UHFFFAOYSA-N 415.496 3.302 0 40 HGAB CC(C)C(=O)N1CCC(NC(=O)c2cnn(-c3ccc(F)cc3)c2-n2cccc2)CC1 25755401 SDFJIBOZOIOPNC-UHFFFAOYSA-N 423.492 3.179 0 40 HGAB COc1ccc([C@@H]2CCCN2C(=O)c2ccc(CS(C)(=O)=O)cc2)cc1OC 25878481 ZULGEQBZXBCNNO-SFHVURJKSA-N 403.500 3.226 0 40 HGAB COc1ccc(-c2nc(-c3cccc(NC(=O)c4cnccn4)c3)no2)cc1OC 28304123 VVWUYWMOPQVSSY-UHFFFAOYSA-N 403.398 3.463 0 40 HGAB CC(C)NS(=O)(=O)c1cc(C(=O)N2CCC(CCc3ccccc3)CC2)n(C)c1 30617733 GKQQNIZWQZDYPD-UHFFFAOYSA-N 417.575 3.197 0 40 HGAB C[C@H](c1ccc(Cl)cc1)N(C)C(=O)c1ccc(CCNS(C)(=O)=O)s1 31333738 BTAACMXIJKSFON-GFCCVEGCSA-N 400.953 3.326 0 40 HGAB COc1cc(C(=O)N2CCCc3cc(F)c(F)cc32)cc(Cl)c1OCC(N)=O 31927672 JGABCSZSHNUWRL-UHFFFAOYSA-N 410.804 3.084 0 40 HGAB COC(=O)c1ccc(NC(=O)N2CCc3nc[nH]c3[C@H]2c2cccc(OC)c2)cc1 32124185 KITIIBRPCRSEAD-HXUWFJFHSA-N 406.442 3.385 0 40 HGAB biogenic O=C(Nc1ccc(CC(=O)N2CCOCC2)cc1)c1ccc(F)cc1Br 32707953 NEMRBMSWAOMSSX-UHFFFAOYSA-N 421.266 3.242 0 40 HGAB C[C@@H]1CCCN(C(=O)CSc2nc3ccccc3n2CC(=O)NC(C)(C)C)C1 35312068 UVHYTCSEYYYCHQ-OAHLLOKOSA-N 402.564 3.302 0 40 HGAB CCc1ccc([C@@H](CNC(=O)C[C@H](NC(N)=O)c2ccccc2Cl)N(C)C)cc1 36748061 UJXZBKJSNGALAL-VQTJNVASSA-N 416.953 3.421 0 40 HGAB C[C@H](Oc1ccc(S(=O)(=O)NCc2ccccc2)cc1)C(=O)NC1CCCCC1 38556532 LYBPPPAGGGDHKW-KRWDZBQOSA-N 416.543 3.381 0 40 HGAB O=S(=O)(c1ccc2ccccc2c1)N1CCN(Cc2nc3ccccc3[nH]2)CC1 38908158 KXWPCAZPJNSVIL-UHFFFAOYSA-N 406.511 3.223 0 40 HGAB Cn1cc(C(=O)NC2CCN(C(=O)Cc3ccc(-c4ccccc4)cc3)CC2)cn1 40142765 DXASYPOGQXTQOL-UHFFFAOYSA-N 402.498 3.051 0 40 HGAB Cc1cc(C)n(-c2ccc(CNC(=O)c3ccccc3OC[C@@H]3CCCO3)cn2)n1 48253871 ROQMBZWJNKMBBP-IBGZPJMESA-N 406.486 3.372 0 40 HGAB COc1ccc(-c2cc(C(=O)N3CCC(NC(=O)Cc4cccs4)CC3)[nH]n2)cc1 49406760 PKCLNMLJRWXGAV-UHFFFAOYSA-N 424.526 3.110 0 40 HGAB Cc1ccc(C(=O)NC2CCN(C(=O)NCC(C)(C)N3C[C@@H](C)C[C@@H](C)C3)CC2)o1 51711892 VOFCGFKUAHMWQY-CALCHBBNSA-N 418.582 3.248 0 40 HGAB COc1cc(C(=O)N2CCSc3ccccc32)ccc1OCC(=O)NC(C)C 59273373 UKLCDKYLIPPZKY-UHFFFAOYSA-N 400.500 3.351 0 40 HGAB C[C@H](C(=O)NCc1ccc(CN2CCOCC2)cc1)N1CCC[C@@H]1c1ccsc1 65609776 FLAOMGQMEJREFG-XMSQKQJNSA-N 413.587 3.422 0 40 HGAB COc1ccccc1[C@@H]1CC(=O)N(c2ccc(I)cc2)C1=O 71405957 WHIKRTPJRDGVMB-AWEZNQCLSA-N 407.207 3.347 0 40 HGAB CCN(CC(F)(F)F)C(=O)[C@H]1CCCN(CCCOc2ccc3c(c2)OCO3)C1 72304913 VZBVBJCYFVLQGD-HNNXBMFYSA-N 416.440 3.307 0 40 HGAB CCCNC(=O)[C@H]1CCCN(C(=O)c2cccc(CNc3nc(C)cc(C)n3)c2)C1 95467422 ANLBNKUOAUHGCH-FQEVSTJZSA-N 409.534 3.084 0 40 HGAB O=C(C[C@@H]1NC(=O)c2ccccc2N=C1O)Nc1nnc(CCc2ccccc2)s1 95480638 MRCHQROSVIZILB-INIZCTEOSA-N 421.482 3.052 0 40 HGAB Cc1cc2nc(SCc3noc(CCC(=O)Nc4nncs4)n3)[nH]c2cc1C 95481959 WWTCAEAYAQXRQX-UHFFFAOYSA-N 415.504 3.278 0 40 HGAB Cc1cc(=O)[nH]c(-c2cccc(NC(=O)C3[C@H]4C[C@H]3CN(Cc3ccccc3)C4)c2)n1 101333689 FNMVMHKUSUPMOJ-PMACEKPBSA-N 414.509 3.452 0 40 HGAB CCCn1[nH]cc/c1=N\C(=O)CN[C@H](Cn1cnc2ccccc21)c1ccc(F)cc1 102151412 FGFZMBWIKLVRRR-PNDUQPBNSA-N 420.492 3.173 0 40 HGAB CC[C@@H](C(=O)NCCCc1ccc(C)cc1)N(c1ccc(F)cc1)S(C)(=O)=O 219112628 RRWKJSWOPATYED-FQEVSTJZSA-N 406.523 3.428 0 40 HGAB Cc1ccc(OCCNC(=O)CCCN(c2ccc(Cl)cc2)S(C)(=O)=O)cc1 219635190 VCCRULPNUMBZPN-UHFFFAOYSA-N 424.950 3.390 0 40 HGAB CCOc1ccccc1CCCNC(=O)c1cc(N(C)S(C)(=O)=O)ccc1Cl 222501277 FBNHEOATLUGLFQ-UHFFFAOYSA-N 424.950 3.497 0 40 HGAB CCOCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(C)=O 223191801 PIRSFIITBIRWEU-JOCHJYFZSA-N 400.494 3.328 0 40 HGAB CC[C@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(Cl)cc1 223417107 ORRYRLSADVXQBB-LJQANCHMSA-N 404.894 3.281 0 40 HGAB COC(=O)c1cc(S(=O)(=O)NCc2ccccc2-n2ccnc2C)ccc1Cl 223861494 WPVASAOFQUDMAW-UHFFFAOYSA-N 419.890 3.099 0 40 HGAB COc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(F)cc2)c(Cl)c1Cl 224621572 HGOTYOPKYPFZNY-UHFFFAOYSA-N 408.234 3.421 0 40 HGAB Cc1noc(C)c1S(=O)(=O)N(C)Cc1nc(-c2ccc(C(C)(C)C)cc2)no1 225491068 YXSDRHXOKVPWKZ-UHFFFAOYSA-N 404.492 3.460 0 40 HGAB CC1(C)Cc2cccc(OCC(=O)NC[C@@](O)(c3ccsc3)c3ccco3)c2O1 244975159 IEIGHBNVIFOJOD-JOCHJYFZSA-N 413.495 3.486 0 40 HGAB Cc1noc(C)c1S(=O)(=O)N1CCC(c2cccc(Nc3ccccn3)n2)CC1 257276535 NUEKLZUCEJOZAZ-UHFFFAOYSA-N 413.503 3.393 0 40 HGAB Cc1cc(-c2cnc(C)nc2[C@H]2CC[C@H](CNC(=O)c3ccc(=O)n(C)c3)CC2)on1 257280607 OLOFIIQSTFKDLE-QAQDUYKDSA-N 421.501 3.151 0 40 HGAB Cc1cc(C)cc(N([C@H](C)C(=O)NCCc2ccc(Cl)cc2)S(C)(=O)=O)c1 260793204 LQZZRNDMGDSVSC-MRXNPFEDSA-N 408.951 3.470 0 40 HGAB COc1ccc(N2CCC[C@](C)(C(=O)Nc3ccc(OC)cc3C)S2(=O)=O)cc1 260836376 ORQSHMFFQSMXLL-OAQYLSRUSA-N 418.515 3.340 0 40 HGAB Cc1cc(S(=O)(=O)N2CCCCC2)ccc1OCC(=O)Nc1cccc(F)c1 408595844 VGXJGFLQDWBWPN-UHFFFAOYSA-N 406.479 3.326 0 40 HGAB Cc1cc([C@H]2c3c(n(C)c(=O)n(C)c3=O)N=C3c4ccccc4C(=O)[C@@H]32)cc(C)c1C 408733359 HGSHORQPAKOAJY-RTBURBONSA-N 413.477 3.088 0 40 HGAB COc1ccc(CNC(=O)CN2C(=O)S/C(=C\c3cc(C)n(C)c3C)C2=O)cc1 409213400 UFCULRPSGDNCRF-ZDLGFXPLSA-N 413.499 3.003 0 40 HGAB Cc1noc2nc(C(C)C)cc(C(=O)N3CCCC[C@@H]3c3nnc(CN(C)C)o3)c12 583622181 VNIZJQZUCNHXRA-MRXNPFEDSA-N 412.494 3.467 0 40 HGAB O=C(c1ccc2ncsc2c1)N1CCC(Cn2nc3c(cc2=O)CCCC3)CC1 585499610 LANGOSITCCRWPP-UHFFFAOYSA-N 408.527 3.284 0 40 HGAB CCOc1cc(-c2nc3ccc(OC)nc3[nH]2)ccc1OCC(=O)N1CCCCC1 677518839 ZSUYOISTJPVAEN-UHFFFAOYSA-N 410.474 3.424 0 40 HGAB Cc1cc(C)n(-c2cc(OCC3CCN(c4nc(C5CC5)ns4)CC3)ncn2)n1 1775970872 SXYTWPLYRWHKCY-UHFFFAOYSA-N 411.535 3.303 0 40 HGAB Cc1ccc(C(=O)N2CCC3(CC2)c2ncc(-c4cccc(F)c4)n2CCN3C)cn1 2055794353 OVPJLXHWFOJVES-UHFFFAOYSA-N 419.504 3.470 0 40 HGAB COc1ccccc1C(=O)NN1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 714101 VZRKDBHUROBSAH-BWWMBTDCSA-N 424.456 3.232 0 40 HGAB COc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)c(OC)c1 791759 ULVWRMYRBFSZIO-INIZCTEOSA-N 418.515 3.052 0 40 HGAB COc1ccc(S(=O)(=O)Nc2ccc(I)cc2C)cc1 1230599 ZFHCNBFEFWPNGV-UHFFFAOYSA-N 403.241 3.409 0 40 HGAB COc1ccc(CCNC(=O)c2nnc(Cc3c(F)cccc3Cl)o2)cc1OC 2206997 RGUXHNJZDGMYSF-UHFFFAOYSA-N 419.840 3.443 0 40 HGAB O=C(COC(=O)C1c2ccccc2Oc2ccccc21)NC(=O)NCc1ccccc1 3453413 OZSYGVGRXVTLRR-UHFFFAOYSA-N 416.433 3.493 0 40 HGAB CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(-c3cn4c(n3)SCC4)c2)cc1 4249108 JOTPMZYYEQQVPN-UHFFFAOYSA-N 414.512 3.415 0 40 HGAB Cc1ccc(NC(=O)C(=O)NCCc2csc3nc(-c4cccc(C)c4)nn23)cc1 4374867 MCXIPWMYRIQTMY-UHFFFAOYSA-N 419.510 3.372 0 40 HGAB CCOC(=O)c1ccc(N2C[C@@H](C(=O)O[C@@H](CC)C(=O)c3ccccc3)CC2=O)cc1 4610601 YSPDOFUYTAKYDS-ICSRJNTNSA-N 423.465 3.421 0 40 HGAB CCN(CC)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)cc1 4896669 KLOHEOWRBWBKLE-INIZCTEOSA-N 409.486 3.296 0 40 HGAB CCOC(=O)c1c(C)[nH]c(C(=O)O[C@H](C)C(=O)c2ccc(NC(C)=O)cc2)c1C 5326339 CIAANUSODVGHDP-CYBMUJFWSA-N 400.431 3.195 0 40 HGAB CC(=O)N[C@H](C(=O)NCc1ccc(Cl)cc1)C(=O)Nc1ccc(C(C)C)cc1 5614070 IFJZZANTQQUPNH-LJQANCHMSA-N 401.894 3.223 0 40 HGAB COc1cc2c(c([C@H]3C(=O)N(C)c4ccc(Br)cc43)c1OC)OCO2 5766475 NPAZPZFMNALWKW-AWEZNQCLSA-N 406.232 3.303 0 40 HGAB COc1cccc(-c2nnc(SCC(=O)NCCc3ccc(F)cc3)n2C)c1 6507493 LNMLDDRSUMEHQC-UHFFFAOYSA-N 400.479 3.081 0 40 HGAB COc1cccc(C(=O)c2cnc3sc(C(=O)NCc4cccnc4)c(C)n23)c1 6664660 MHQOKWZSHYUKKV-UHFFFAOYSA-N 406.467 3.269 0 40 HGAB CCc1nnc2n1N[C@H](c1ccc(F)cc1)[C@@H](C(=O)Nc1ccccc1OC)S2 6812134 QNHCMLLCIKAYSA-MSOLQXFVSA-N 413.478 3.386 0 40 HGAB Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)c1ccc(C(C)(C)C)cc1 6984009 RHXHIUFEUJUSOQ-IBGZPJMESA-N 417.575 3.429 0 40 HGAB COc1ccc(NC(=O)CCc2c(C)noc2C)cc1S(=O)(=O)N1CCCCC1 7471593 MHADSDDRZRNYTD-UHFFFAOYSA-N 421.519 3.046 0 40 HGAB COc1cc(CN(C(=O)Cc2ccccc2)C2CCCCC2)ccc1OCC(N)=O 8113037 ANZXUWSCHAFJDZ-UHFFFAOYSA-N 410.514 3.463 0 40 HGAB CCOc1cc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCOC)ccc1O 8254250 XBKOXYNMROACCY-HXUWFJFHSA-N 409.438 3.479 0 40 HGAB CC[C@]1(c2ccc(OC)cc2)NC(=O)N([C@H](C)C(=O)Nc2ccc(C(C)=O)cc2)C1=O 8315484 HCADPMVUPBKYMP-QKFKETGDSA-N 423.469 3.082 0 40 HGAB COc1cc(-c2nnc(SCC(N)=O)n2C2CCCCC2)cc(OC)c1OC 8487041 FAPQFJPHKTXTEJ-UHFFFAOYSA-N 406.508 3.054 0 40 HGAB Cc1ccc(OCCNC(=O)c2ccccc2NC(=O)CSc2nccn2C)cc1 9217052 JHHYCUXMRSMCIQ-UHFFFAOYSA-N 424.526 3.268 0 40 HGAB COc1ccccc1OCCCN1C(=O)[C@](O)(CC(C)=O)c2cc(Cl)ccc21 9319530 VSZSNTZFCRXCBR-NRFANRHFSA-N 403.862 3.331 0 40 HGAB O=C(CSc1n[nH]c(=O)n1Cc1ccccc1)Nc1ccc(N2CCCCC2)cc1 9376459 QEGYNKCLNRERGO-UHFFFAOYSA-N 423.542 3.341 0 40 HGAB COc1c(F)c(F)cc2c(=O)c(C(=O)NC[C@@H](O)c3ccccc3)cn(C3CC3)c12 9486127 JSGXSQWIFVLVLS-QGZVFWFLSA-N 414.408 3.087 0 40 HGAB O=C(Nc1nccs1)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccccc1F 9562253 APTRVKHDWFKEMM-MRXNPFEDSA-N 417.487 3.037 0 40 HGAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1cccc(NS(C)(=O)=O)c1C 10315106 PNFDSHHJNKWPNT-ZDUSSCGKSA-N 403.504 3.147 0 40 HGAB COC(=O)c1c(C)[nH]c(C(=O)N2CCCN(Cc3ccc(Cl)cc3)CC2)c1C 10975395 HDPXTYOASCCOID-UHFFFAOYSA-N 403.910 3.420 0 40 HGAB COCCCN(Cc1cc(-c2ccco2)on1)S(=O)(=O)c1ccc(OC)cc1 11055157 REPDZOBPRIXVOG-UHFFFAOYSA-N 406.460 3.171 0 40 HGAB Cc1[nH]n(-c2ccc(F)cc2)c(=O)c1CCC(=O)NCCCc1nc2ccccc2[nH]1 11486444 DEUBZWLZAUHWSP-UHFFFAOYSA-N 421.476 3.171 0 40 HGAB COc1cccc(-c2ccc(=O)n(CCCC(=O)Nc3ccc(NC(C)=O)cc3)n2)c1 11693341 KZGYSMDPPLXNAM-UHFFFAOYSA-N 420.469 3.296 0 40 HGAB O=C(N[C@@]1(C(F)(F)F)NC(=O)N(c2cccc(Cl)c2)C1=O)c1ccccc1F 12375342 FTPMHJZUKJYWLS-MRXNPFEDSA-N 415.730 3.224 0 40 HGAB COCCNC(=O)NC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 12530137 GVOMKRXNUYUOPE-UHFFFAOYSA-N 410.499 3.308 0 40 HGAB CCc1ccc([C@@H](NC(=O)Cn2nc3n(c2=O)CCCCC3)c2cccc(F)c2)cc1 12739343 MPLOUAPHQPAYDN-HSZRJFAPSA-N 422.504 3.379 0 40 HGAB O=C(c1ccc2c(c1)OCCO2)C1CCN(C(=O)c2ccc(-n3cccn3)cc2)CC1 12751170 COYZZJWDMBACOZ-UHFFFAOYSA-N 417.465 3.379 0 40 HGAB COc1cc(NC(=O)CCn2cnc3sc(C)c(C)c3c2=O)cc(OC)c1OC 12849974 QXDYDLPWTDKIMW-UHFFFAOYSA-N 417.487 3.129 0 40 HGAB CSc1nc2ccc(NC(=O)CCN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)cc2s1 13146379 MGHQZPWBEBVHOU-CHWSQXEVSA-N 401.513 3.298 0 40 HGAB COc1cc(NC(=O)Cc2c(C)c3c(OC)cc(OC)cc3oc2=O)cc(OC)c1 13574834 WQRBJFSUZNOTBI-UHFFFAOYSA-N 413.426 3.317 0 40 HGAB C[C@H](NS(=O)(=O)c1cccc(C(=O)Nc2ccc3c(c2)OCCCO3)c1)C1CC1 14251127 WLSQEEIFWXAVQR-AWEZNQCLSA-N 416.499 3.177 0 40 HGAB CC[C@H](C(=O)Nc1nnc(S(=O)(=O)N2CCCCCC2)s1)c1ccccc1 15674524 VNZNTTPJSQZOJQ-HNNXBMFYSA-N 408.549 3.235 0 40 HGAB CC(=O)Nc1ccc(C(=O)NCc2nnc3c(Cl)cc(C(F)(F)F)cn23)cc1 17043880 DAUFNNBPORGPNG-UHFFFAOYSA-N 411.771 3.290 0 40 HGAB O=C(O)[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1 17088015 TYUQOEUNCZTNER-ROUUACIJSA-N 408.520 3.127 0 40 HGAB Cc1cc(C)n(-c2ccc(CCC(=O)N3CCN(Cc4ncccc4C)CC3)cc2)n1 19237807 XWSQRESLBHSMGR-UHFFFAOYSA-N 417.557 3.470 0 40 HGAB COc1ccccc1N1C[C@H](c2cc(=O)[nH]c(NCc3cccc(F)c3)n2)CC1=O 19571112 ADSALEXHCMHWSG-OAHLLOKOSA-N 408.433 3.050 0 40 HGAB CCCN1CCN(C(=O)CSc2nc(-c3ccc(Cl)cc3Cl)n[nH]2)CC1 20195596 WGUVUNKBCAELBE-UHFFFAOYSA-N 414.362 3.425 0 40 HGAB COc1ccc(N(CC(=O)N[C@H]2CCCc3ccccc32)S(C)(=O)=O)cc1Cl 22338128 YTNJUOQSHAUVSR-SFHVURJKSA-N 422.934 3.308 0 40 HGAB CCc1nnc(NC(=O)c2ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c2)s1 22377992 VOQVAPNBNJODDK-UHFFFAOYSA-N 402.929 3.083 0 40 HGAB COc1ccc(CN2CCN(Cn3ncn(-c4ccccc4C)c3=S)CC2)cc1 22771127 DNTSZEBFBDWENP-UHFFFAOYSA-N 409.559 3.496 0 40 HGAB CCCNC(=O)Cn1nc2c(c1NC(=O)Cc1cccc3ccccc13)CSC2 23138864 XTCVETRBJUKPKB-UHFFFAOYSA-N 408.527 3.491 0 40 HGAB COc1ccc(S(=O)(=O)Nc2cc(C(=O)O)ccc2F)cc1Br 24433030 RKXKGFVFBZKSFR-UHFFFAOYSA-N 404.213 3.096 0 40 HGAB COc1ccc(-c2nnc([C@@H](C)OC(=O)CCNC(=O)c3ccccc3C)o2)cc1 25217708 CJLAARUGYHISNL-OAHLLOKOSA-N 409.442 3.478 0 40 HGAB Cc1nn(C)c2ncc(C(=O)N3CCCN(c4ccc(C(F)(F)F)cn4)CC3)cc12 32899753 LTDYYVZXEBXQPL-UHFFFAOYSA-N 418.423 3.043 0 40 HGAB Cc1noc(C)c1S(=O)(=O)Nc1ccc2c(c1)N(C(=O)c1cccs1)CC2 38677990 NRKBNUDGAIZDIQ-UHFFFAOYSA-N 403.485 3.357 0 40 HGAB c1ccc(CCn2c(Cc3cccs3)nnc2Sc2ccc3nnnn3n2)cc1 40025166 BSYNIRHBHXQVDV-UHFFFAOYSA-N 420.527 3.157 0 40 HGAB CN1CCN(Cc2ccccc2CNC(=O)c2ccc(Br)cc2)CC1 40089767 CYPVDZMYROIHJT-UHFFFAOYSA-N 402.336 3.127 0 40 HGAB CCCn1c(=O)n(CC(=O)N2CCCc3cccc(NC(C)=O)c32)c2ccccc21 40157917 AVXLJCLCOOVQIX-UHFFFAOYSA-N 406.486 3.151 0 40 HGAB CCc1nc2ccccc2c(=O)n1CC(=O)Nc1ccc(Br)cc1F 40478666 RYAXHRVJFRCITR-UHFFFAOYSA-N 404.239 3.499 0 40 HGAB O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1O)c1ccc(-c2cnco2)cc1 47816868 ISICRCCCJHLHCH-UHFFFAOYSA-N 413.455 3.084 0 40 HGAB O=C(CN1CCN(c2cccc(Cl)c2)CC1)Nc1ccc2c(c1)OC(F)(F)O2 58160826 LZQBVFSSQMGXFH-UHFFFAOYSA-N 409.820 3.422 0 40 HGAB COc1ccc(NC(=O)[C@H](C)Sc2nnc3c(=O)n(-c4ccccc4)ccn23)cc1 64593506 SJTBWDSOPKBZBH-AWEZNQCLSA-N 421.482 3.008 0 40 HGAB COc1ccc(-c2cc(C[C@@H]3CC[C@H](O)[C@@H](CNC(=O)c4ccccc4)O3)no2)cc1 77263232 RDTCFTPWIDKCEG-QNWVGRARSA-N 422.481 3.231 0 40 HGAB biogenic,in-vitro Cc1c(C)c2ccc(OCC(=O)N[C@H](C)c3nnc4ccccn34)c(C)c2oc1=O 95472159 SDBNAQCOAWRKGF-OAHLLOKOSA-N 406.442 3.017 0 40 HGAB COc1ccc(CN2C[C@@H]3C[C@H]2C(=O)N(Cc2ccccn2)c2ccccc2O3)cn1 96111866 BAMGSBZJBCAJSE-FPOVZHCZSA-N 416.481 3.054 0 40 HGAB biogenic,in-vitro Cc1cnc(CNC(=O)c2ccn(-c3ccc4ccc(-c5ccncc5)cn34)n2)cn1 96155365 PFOHEJPCTJZYAF-UHFFFAOYSA-N 409.453 3.215 0 40 HGAB CC(=O)N(CCc1ccccc1)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1=O 100052761 NTDAXRFQGKBUTB-SFHVURJKSA-N 415.287 3.172 0 40 HGAB CSc1ncccc1C(=O)N1[C@H]2CC[C@H]1CC(S(=O)(=O)c1ccccc1)C2 101323096 GNZUBJCAGNPJEX-GJZGRUSLSA-N 402.541 3.413 0 40 HGAB COc1ccc(CN(C)C(=O)C23C[C@@H]4C[C@H](CC(NC(C)=O)(C4)C2)C3)c(OC)c1 104872932 ZQCCCWRVGFYXAV-PQJGELLGSA-N 400.519 3.137 0 40 HGAB COc1ccc([C@H](O)[C@@H](C)NC(=O)[C@H](C)Oc2ccccc2Br)cc1 107540572 RLRZGINTRINDLV-FHSNZYRGSA-N 408.292 3.463 0 40 HGAB CCOc1ccc(N(CCCC(=O)NCc2ccc(F)cc2)S(C)(=O)=O)cc1 113961993 JJTDVIRJTBUURG-UHFFFAOYSA-N 408.495 3.087 0 40 HGAB COc1ccccc1N(CCCC(=O)N[C@H](C)c1ccc(F)cc1)S(C)(=O)=O 113968182 RJBAWZNMNZJCDB-OAHLLOKOSA-N 408.495 3.258 0 40 HGAB COC[C@@]1(C(N)=S)[C@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 217925821 YWMSUMHBLYVBPE-SOLBZPMBSA-N 413.923 3.338 0 40 HGAB O=C(c1cc(-c2cccs2)[nH]n1)N1CCC[C@H](Cc2nc(-c3cnccn3)no2)C1 220840032 ONKNZLNAMMFGAV-CYBMUJFWSA-N 421.486 3.073 0 40 HGAB CC1(C)CCc2cc(S(=O)(=O)NCc3cccc(N4CCCC4=O)c3)ccc2O1 223706826 KKPHUIGKUSSYJI-UHFFFAOYSA-N 414.527 3.396 0 40 HGAB CC[C@H](NS(=O)(=O)c1cc(C)c(OC)cc1C)c1ccc(S(C)(=O)=O)cc1 223771895 NTBYARBGFGMKKS-KRWDZBQOSA-N 411.545 3.145 0 40 HGAB C[C@@H](CNC(=O)CCCN(c1c(F)cccc1F)S(C)(=O)=O)c1ccccc1 224886604 ZEQLJHKLJVCJTQ-HNNXBMFYSA-N 410.486 3.431 0 40 HGAB C[C@@H]1C[C@H]1C(=O)N1CCC[C@](Cc2ccccc2-c2cncnc2)(C(=O)N(C)C)C1 247953232 CKUBDGHBHQBENN-NYQDVAGCSA-N 406.530 3.039 0 40 HGAB COc1ccc(S(=O)(=O)N2C[C@@H]3CCC[C@@](O)(c4cccc(OC)c4)[C@H]3C2)cc1 248253040 QPMMISZFLHJFTA-WQTXXOFMSA-N 417.527 3.012 0 40 HGAB C[C@H](NC(=O)CCCCC(=O)N[C@H](C)[C@H](O)c1ccccc1)[C@@H](O)c1ccccc1 248380578 QMYJLCSSUSXHJC-ZJYDQZTPSA-N 412.530 3.023 0 40 HGAB O=C1N[C@@]2(C[C@H]3CC[C@H]2C[C@H]3C(=O)NCCc2ccc(F)cc2)Nc2ccccc21 257306539 SUQZWPIWSCNABN-JJLPPOTMSA-N 407.489 3.472 0 40 HGAB CCc1nc(C)c(CN2CC[C@@]3(COCc4cnc(NCc5ccccc5)nc43)C2)[nH]1 306123698 AUBDOVJQCOONKV-DEOSSOPVSA-N 418.545 3.357 0 40 HGAB C[C@@H](C(=O)N1CCC(Cc2ccccc2)CC1)N(c1ccccc1)S(C)(=O)=O 408547922 OOJAIQWFZRFPNJ-SFHVURJKSA-N 400.544 3.322 0 40 HGAB CN(C)S(=O)(=O)N(CC(=O)Nc1c(Cl)cccc1Cl)c1ccccc1 408581061 TYUHBMSFKZNOEQ-UHFFFAOYSA-N 402.303 3.245 0 40 HGAB CNC(=O)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 408615880 UCBHXIFMBRWUAI-NSHDSACASA-N 406.269 3.345 0 40 HGAB COC(=O)c1cc(NS(=O)(=O)c2cc(C(C)C)ccc2OC)cc(C(=O)OC)c1 408700380 DZWFMSULKIQYFE-UHFFFAOYSA-N 421.471 3.193 0 40 HGAB Cc1cccc(CNC(=O)C(=O)Nc2ccccc2C(=O)NCc2ccccc2C)c1 408708214 HRGVUTLZHUCYJX-UHFFFAOYSA-N 415.493 3.488 0 40 HGAB COc1ccc([C@H]2[C@H](NC(=O)c3ccccc3)C(=O)N/[N+]2=C\c2ccc(C)cc2)cc1 409059609 SMHAFNGUVCRNNG-LIFFMEMSSA-O 414.485 3.020 0 40 HGAB COCCCNC(=O)CSc1nnc(Cc2ccccc2)n1-c1ccc(C)cc1 409212826 QVTXAKDOKVPCRJ-UHFFFAOYSA-N 410.543 3.411 0 40 HGAB O=C(CN1C(=O)S/C(=C/c2ccc(C(=O)O)cc2)C1=O)Nc1cccc(F)c1 409231079 IDJCRVCWVKEJTH-OVCLIPMQSA-N 400.387 3.199 0 40 HGAB Cc1noc(CCCC(=O)N2CCOC[C@@H]2c2c(C)nn(Cc3ccccc3)c2C)n1 501249684 UWLSQOXKHGNIBO-HXUWFJFHSA-N 423.517 3.162 0 40 HGAB O=C(NCCc1coc(-c2ccc(F)cc2)n1)NCc1nc(-c2ccc(F)cc2)n[nH]1 521563421 LYEVGIUXPODURD-UHFFFAOYSA-N 424.411 3.447 0 40 HGAB CCn1cc(C(=O)N[C@H]2CCc3cc(OC)c(OC)cc32)c(=O)c2ccc(C)nc21 524732564 BDLAANOCWXCPMW-SFHVURJKSA-N 407.470 3.159 0 40 HGAB O=C(Nc1cnc2c(c1)COCC2)[C@H](c1ccc(Cl)cc1Cl)N1CCOCC1 679080709 VXMJGEHSEPUEPY-IBGZPJMESA-N 422.312 3.473 0 40 HGAB Cc1cc(OCC2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)ncn1 1565520705 HYLZAUKGDJBVLH-UHFFFAOYSA-N 415.437 3.284 0 40 HGAB CC(=O)N1CCN(C2CCN(C(C)C)CC2)C[C@@H](Cc2ccc3ncccc3c2)C1 1615153747 ATJXDPIQGWXOKU-QFIPXVFZSA-N 408.590 3.430 0 40 HGAB Cc1cc(C)n(-c2cc(N3CCN(c4ccnc(C(F)(F)F)c4)CC3)nc(C)n2)n1 1889152061 LIMSDQKDNPMUFN-UHFFFAOYSA-N 417.439 3.328 0 40 HGAB CCOC(=O)c1c(C)nn(S(=O)(=O)c2ccc(F)cc2)c1NCc1ccccc1 633572 DPNNTRWIONHQBM-UHFFFAOYSA-N 417.462 3.356 0 40 HGAB COc1cc(OC)cc(C(=O)Nc2nnc(Cc3ccc(OC)c(OC)c3)s2)c1 804656 JBWKRJKNGKWQKW-UHFFFAOYSA-N 415.471 3.416 0 40 HGAB biogenic COc1cc(OC)c([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc(C)cc2)cc1OC 828854 ATIUAYSMJLEAOR-HXUWFJFHSA-N 411.458 3.287 0 40 HGAB COc1cc2c(c(OC)c1O)-c1ccc(SC)c(=O)cc1[C@@H](NC(C)=O)CC2 1587241 OMQLBXIHBJAOIO-HNNXBMFYSA-N 401.484 3.282 0 40 HGAB in-vitro O=C(CNC(=O)c1cccs1)OCC(=O)c1ccc(OCc2ccccc2)cc1 1838598 UJZZLBIDKOUABF-UHFFFAOYSA-N 409.463 3.483 0 40 HGAB CCc1ccc(NC(=O)[C@H]2CCC(=O)N2[C@H]2OC(=O)c3c2ccc(OC)c3OC)cc1 2094642 MJTLFNZEUJHLJK-ZHRRBRCNSA-N 424.453 3.065 0 40 HGAB biogenic CC1(C)Cc2c(sc3ncn4nc(CN(CCO)Cc5ccccc5)nc4c23)CO1 2329990 DXPPWWCQHZALHE-UHFFFAOYSA-N 423.542 3.185 0 40 HGAB Cn1c(=O)c2c(nc(Sc3ccccc3)n2Cc2ccc(Cl)cc2)n(C)c1=O 2440797 YQNWDIOTATYGQR-UHFFFAOYSA-N 412.902 3.287 0 40 HGAB Brc1ccc(C2=Nn3c(nnc3-c3[nH]nc4c3CCC4)SC2)cc1 4038512 UFCUKEBFFXZCFO-UHFFFAOYSA-N 401.293 3.278 0 40 HGAB CNC(=S)N(CCc1cccc(C)c1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 4160521 WSPBOXOSKHVQMC-UHFFFAOYSA-N 423.538 3.157 0 40 HGAB CCOc1ccc(NC(=O)Cn2cnc3c(cnn3-c3ccc(C)c(C)c3)c2=O)cc1 4166121 ASPNWWVDGABNSW-UHFFFAOYSA-N 417.469 3.236 0 40 HGAB Cc1ccc(C)c(-n2c(C)c(C)n3c4c(=O)n(CCC(C)C)c(=O)n(C)c4nc23)c1 4370517 IQQFADXBNIYDCT-UHFFFAOYSA-N 407.518 3.418 0 40 HGAB CCOC(=O)Cc1csc(NC(=O)CSc2nnc(-c3ccc(F)cc3)o2)n1 4375512 QBJGPSUBFYSVCP-UHFFFAOYSA-N 422.463 3.169 0 40 HGAB Cc1ccc(SCC(=O)OCC(=O)N(C)CC(=O)Nc2ccc(F)cc2)cc1C 4768651 XADJWMMJTFNYKP-UHFFFAOYSA-N 418.490 3.175 0 40 HGAB COCCn1c(SCC(=O)N2CCCCCC2)nc2c([nH]c3ccccc32)c1=O 5106644 JDFOVMCTYZJPIV-UHFFFAOYSA-N 414.531 3.019 0 40 HGAB Cc1nnc(SCC(=O)N2c3ccccc3NC(=O)C[C@H]2C)n1Cc1ccccc1 5216640 YGNGYXULQKSDBA-OAHLLOKOSA-N 421.526 3.491 0 40 HGAB Cc1cc(O)c(-c2[nH]nc3c2[C@@H](c2ccc(F)cc2)N(CCO)C3=O)cc1Cl 5343120 MGRVJBUBUGWGDF-LJQANCHMSA-N 401.825 3.421 0 40 HGAB O=C(/C=C/C=C/c1ccccc1)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 6416329 IQFAPIAUNLKHRS-LUZURFALSA-N 406.467 3.486 0 40 HGAB COc1ccc2c(C)c(CC(=O)Nc3ccc(NC(C)=O)cc3)c(=O)oc2c1OC 6661102 JMLVJVKIUNFJPI-UHFFFAOYSA-N 410.426 3.258 0 40 HGAB CSCC[C@H](NC(=O)c1cccc(CS(C)(=O)=O)c1)c1nc2ccccc2[nH]1 6664258 FTPKCUBNDMMRCO-SFHVURJKSA-N 417.556 3.332 0 40 HGAB CN(CC(=O)Nc1ccc(F)c(F)c1F)CC(=O)N[C@H]1CCCc2ccccc21 6882252 YWXOXAQDMKZELE-INIZCTEOSA-N 405.420 3.168 0 40 HGAB O=C(CN1C[C@H](C(=O)N2CCCCC2)Oc2ccccc21)Nc1ccc2c(c1)CCC2 7252165 QWWUOLAUSQHYMQ-HSZRJFAPSA-N 419.525 3.394 0 40 HGAB O=C(Cn1nnc(-c2ccsc2)n1)N1CCC[C@@H](c2nc3ccccc3s2)C1 8000518 HUUMNFGISANGJD-CYBMUJFWSA-N 410.528 3.418 0 40 HGAB O=C(CSc1ncnc2ccccc12)N(C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 8186438 SXGVNIMRVNEPEU-MRXNPFEDSA-N 419.572 3.070 0 40 HGAB CCCCNC(=O)c1cccc(NC(=O)C[C@H]2SC(N3CCCCC3)=NC2=O)c1 8394857 DZXFOSXDWWKLCI-QGZVFWFLSA-N 416.547 3.029 0 40 HGAB Cc1cc(C)cc(S(=O)(=O)Nc2cccc(-c3ccc(N4CCOCC4)nn3)c2)c1 8609806 ZKIIQSMMZDNZMY-UHFFFAOYSA-N 424.526 3.398 0 40 HGAB O=C(CCN1C(=O)CSc2ccccc21)NCc1ccc(Cn2cccn2)cc1 8724440 YBCFGRIHRCARAC-UHFFFAOYSA-N 406.511 3.077 0 40 HGAB COc1ccc(OC)c(-c2csc(NC(=O)[C@H](NC(C)=O)C3CCCC3)n2)c1 8727945 GUICWIYAEBTXNL-GOSISDBHSA-N 403.504 3.461 0 40 HGAB CN(Cc1cccs1)C(=O)CN1C(=O)N[C@](C)(c2ccc(C(C)(C)C)cc2)C1=O 8948262 QNYXWMOGMRUMQI-JOCHJYFZSA-N 413.543 3.471 0 40 HGAB CCOc1ccc(N2C[C@H](CNS(=O)(=O)c3ccc(Cl)cc3)CC2=O)cc1 9035984 XUJHGMTWPXGRIL-AWEZNQCLSA-N 408.907 3.070 0 40 HGAB O=C(Nc1ccc(F)c(F)c1)C1CCC(Cn2c(=O)[nH]c3ccccc3c2=O)CC1 9045866 WJYROIDGCQQEJL-UHFFFAOYSA-N 413.424 3.413 0 40 HGAB CCOc1c(Br)cc(C(=O)NC[C@H]2COc3ccccc3O2)cc1OC 9631829 PSOWHFFMFVLJHJ-ZDUSSCGKSA-N 422.275 3.426 0 40 HGAB Cc1csc(NC(=O)Cc2csc(NC(=O)c3ccc4c(c3)OCO4)n2)n1 9659329 IKGLIGNPCBTPFB-UHFFFAOYSA-N 402.457 3.070 0 40 HGAB COc1ccc(-c2csc(NC(=O)c3cccc(S(C)(=O)=O)c3)n2)c(OC)c1 9712720 FQFBOQWHWYGRBF-UHFFFAOYSA-N 418.496 3.483 0 40 HGAB CNc1nc(N2CCN(c3ccccc3)CC2)nc2c1C(=O)C[C@@H](c1ccco1)C2 9937755 OKHFHJLUINMNQK-INIZCTEOSA-N 403.486 3.351 0 40 HGAB Cc1nc(COc2ccc(C(=O)O[C@H](C)C(=O)NC3CCCCCC3)cc2)no1 12077100 OUHUEDUBEUXWLT-CQSZACIVSA-N 401.463 3.341 0 40 HGAB CN(C)CCNc1nnnc2c1sc1nc(N3CCCCC3)c3c(c12)CCCC3 12390254 GBOYQXZLCRXDEB-UHFFFAOYSA-N 411.579 3.477 0 40 HGAB CC1(C)O[C@@H]2O[C@H](C(=O)Oc3cccc4ccccc34)[C@@H]3OC(C)(C)O[C@@H]3[C@@H]2O1 12406423 NHZBMHKKEJZBSF-NSOKGPEJSA-N 400.427 3.142 0 40 HGAB biogenic CCOc1nn(CC)cc1-c1nnc(SCC(=O)Nc2cccc(C)c2)n1C 12422683 SSTCICNGAWFZCK-UHFFFAOYSA-N 400.508 3.136 0 40 HGAB Cc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3ccc(N4CCCC4)cc3C)C2=O)cc1 12523156 NMDLQKXHAFMDKF-DEOSSOPVSA-N 420.513 3.309 0 40 HGAB Cc1ccc(S(=O)(=O)Nc2cccc(NC(=O)c3ccco3)c2)cc1C(=O)O 12544850 SRFWNWMNQJTCMF-UHFFFAOYSA-N 400.412 3.339 0 40 HGAB O=C(NCCc1nc2ccccc2[nH]1)/C(=C/c1ccccc1)NC(=O)c1ccco1 12659497 ZRSXNXFACPISOB-CYVLTUHYSA-N 400.438 3.286 0 40 HGAB O=C(COc1ccccc1)N1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1 12746281 OJQGYIIHIAFJAV-UHFFFAOYSA-N 412.877 3.113 0 40 HGAB CC1CCN(Cc2csc(NC(=O)CNC(=O)c3ccccc3Cl)n2)CC1 12798462 IWTZPFMYEPFFIL-UHFFFAOYSA-N 406.939 3.397 0 40 HGAB O=C(COc1ccccc1F)Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 12817886 CNMVHJNHFPVFOA-UHFFFAOYSA-N 412.870 3.281 0 40 HGAB Cc1ccc(NC(=O)CN2CCN(C(=O)COc3ccc(Cl)cc3C)CC2)cc1 12973436 URROODDDGCQSQI-UHFFFAOYSA-N 415.921 3.119 0 40 HGAB C[C@@H](OC(=O)c1ccc(NS(C)(=O)=O)cc1)C(=O)Nc1ccc(F)cc1Cl 12990943 DPDOZGSGUILXBK-SNVBAGLBSA-N 414.842 3.035 0 40 HGAB COc1ccc(CC(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)cc1F 14199497 ONALUTJRPOOVDF-UHFFFAOYSA-N 401.463 3.462 0 40 HGAB CCN(CC)c1ccc(NC(=O)c2ccc(N3C(=O)[C@H](C)CS3(=O)=O)cc2)cc1 15843009 RXDLPPZSAHSKHX-OAHLLOKOSA-N 415.515 3.098 0 40 HGAB COc1ccc(C(=O)CN(C2=NCCC2)c2c(C)n(C)n(-c3ccccc3)c2=O)cc1 16776870 VMCJZTRJASYCEV-UHFFFAOYSA-N 418.497 3.375 0 40 HGAB CC(=O)N1CCc2cc([C@@H](O)CN3CCN(c4nsc5ccccc45)CC3)ccc21 19019183 VOEWIFUORRDSDX-NRFANRHFSA-N 422.554 3.061 0 40 HGAB COc1ccc(CC(=O)N[C@@H](Cc2cc(O)n3nc(C)cc3n2)c2ccccc2)cc1 19129964 LRKRGWQQWKCDHB-NRFANRHFSA-N 416.481 3.395 0 40 HGAB NC(=O)[C@]1(Cc2cccc(-c3ccccc3)c2)CN(C(=O)Cc2ccccc2)CCO1 19370270 IIJMWOPPLQFCFM-SANMLTNESA-N 414.505 3.222 0 40 HGAB Cn1nc(C(=O)N2CCC[C@@H](c3ccc(Cc4c(F)cccc4F)cn3)C2)ccc1=O 19690286 AWDCSQPIPZWKDN-MRXNPFEDSA-N 424.451 3.064 0 40 HGAB Cc1nc(C2CCN(C(=O)C3CCC3)CC2)ncc1C(=O)NCc1ccc(F)cc1 19753641 IILNEZDEAHSPQZ-UHFFFAOYSA-N 410.493 3.360 0 40 HGAB CC[C@H](C(=O)NCc1ccc(OC(C)C)cc1)N(c1ccc(F)cc1)S(C)(=O)=O 20461602 OBCHFBWCXVQYRK-HXUWFJFHSA-N 422.522 3.474 0 40 HGAB CC1=C(C(=O)N2CCOCC2)[C@@H](c2ccccc2)n2ncnc2N1Cc1ccccc1 20674176 RWKRNCOKJUDESZ-JOCHJYFZSA-N 415.497 3.021 0 40 HGAB CCCN1C(=O)[C@@H](C(=O)OCC)[C@H](c2ccc(OC)c(O)c2)n2c1nc1ccccc12 20675222 REICXPZINOYIBW-PMACEKPBSA-N 423.469 3.276 0 40 HGAB CC(C)OCCCNC(=O)c1ccc2c(O)nc3c(-c4cccc(F)c4)nnn3c2c1 21867651 XFXOBRIBNWIEDG-UHFFFAOYSA-N 423.448 3.334 0 40 HGAB COc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2cc(F)ccc2F)c1 22230342 HGPQOWVKCVOMRM-QGZVFWFLSA-N 410.442 3.074 0 40 HGAB C[C@@H](NC(=O)COc1ccc(S(=O)(=O)NC2CCCC2)cc1)c1ccc(F)cc1 22536743 NMVZAIWRDCSWIV-OAHLLOKOSA-N 420.506 3.303 0 40 HGAB COc1ccc(NC(=O)C2CCN(C(=O)c3ccc(F)cc3F)CC2)c(OC)c1 22567942 XIFWMFBKSCBPLF-UHFFFAOYSA-N 404.413 3.473 0 40 HGAB COc1ccc(NC(=O)[C@H](C)N2CCC[C@@H](C(=O)Nc3ccccc3)C2)cc1OC 24060735 QQQBRAZHXJZUKP-DLBZAZTESA-N 411.502 3.382 0 40 HGAB COCc1cccc(NS(=O)(=O)c2ccc(Br)c(C(=O)O)c2)c1 26547435 MQFSYXUIGLPZQY-UHFFFAOYSA-N 400.250 3.095 0 40 HGAB COc1ccccc1N1CCN(C[C@H](O)COc2ccccc2Br)CC1 26781835 MHVPGFOINPXFDO-INIZCTEOSA-N 421.335 3.020 0 40 HGAB Cc1cccc2c(=O)n(CCCC(=O)O[C@H](C)C(=O)N3CCc4ccccc43)cnc12 26948026 ZLCUXAJKCXDTMR-QGZVFWFLSA-N 419.481 3.006 0 40 HGAB CNC(=O)c1ccccc1NC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O 27401991 RSPYFTINXGOUBQ-UHFFFAOYSA-N 405.454 3.227 0 40 HGAB Cc1cccc(Cn2nccc2NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c1 30528377 DBJQIWHBEVJUGG-UHFFFAOYSA-N 424.526 3.277 0 40 HGAB CN(C(=O)[C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1)c1ccccc1 30858200 SMHMMQDMOPMRFP-FQEVSTJZSA-N 400.544 3.324 0 40 HGAB O=c1nc2n(Cc3ccc(Cl)cc3Cl)cccc-2c(=O)n1Cc1cccnc1 32616263 KVGRAVALTHUIKU-UHFFFAOYSA-N 413.264 3.308 0 40 HGAB O[C@@H](CSc1nnc(N2CCCCC2)n1C[C@H]1CCCO1)c1ccc(F)cc1 32900861 JSQPOJUONRRAPV-MSOLQXFVSA-N 406.527 3.412 0 40 HGAB COc1ccc(OC[C@H](O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 32907324 HRGDLWODGXJKPQ-UONOGXRCSA-N 400.500 3.031 0 40 HGAB CCN(CC(=O)NC(C)C)C(=O)/C=C/c1cc(Br)ccc1OC(F)F 32999694 PFCSAYQWUWTDJJ-VMPITWQZSA-N 419.266 3.437 0 40 HGAB O=C(NCc1cccnc1)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1 44880930 DJHVYMAKCPEONB-UHFFFAOYSA-N 401.875 3.466 0 40 HGAB O=C(NCC(=O)N1CCCCC1)c1ccc(Oc2cccc(Br)c2)nc1 53075409 IMSYEZPSEPOVFF-UHFFFAOYSA-N 418.291 3.379 0 40 HGAB CCOC(=O)C1CCN([C@H](C)c2nc3sc4c(c3c(=O)[nH]2)CC[C@H](C)C4)CC1 57369260 NRFLKKBLTASPPX-QWHCGFSZSA-N 403.548 3.446 0 40 HGAB Cc1cc2nc(SCC(=O)Nc3ccc(Br)cc3F)[nH]c(=O)c2[nH]1 57520910 YBNLRZMLGPIKNM-UHFFFAOYSA-N 411.256 3.192 0 40 HGAB COCCn1nnnc1[C@@H](CC(C)C)N1CCN(c2cc(Cl)ccc2C)CC1 57670081 KUANIWDAXIUJFE-LJQANCHMSA-N 406.962 3.191 0 40 HGAB CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N1CCC[C@H](c2nnc3ccccn23)C1 58017935 RPKPIMQWCUEOQW-CUWPLCDZSA-N 419.529 3.280 0 40 HGAB COCCn1cnnc1SCC(=O)N1CCc2sccc2[C@@H]1c1cccs1 58051703 IGVIGZLVMHJULE-QGZVFWFLSA-N 420.585 3.314 0 40 HGAB CCOC(=O)N[C@@H](CNC(=O)[C@H](c1ccccc1)N1CCSCC1)CC(C)C 58223146 DVKNMBKMNWHXJO-MOPGFXCFSA-N 407.580 3.054 0 40 HGAB COc1ccc(NC(=O)[C@@H](C)NCC2(c3ccc4c(c3)OCO4)CCOCC2)cc1 60091009 NWGNSTNWUDRDGU-MRXNPFEDSA-N 412.486 3.089 0 40 HGAB CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NC1CCN(C(=O)NC2CCCCC2)CC1 65608891 IYKLJYHWCAMYCW-SFHVURJKSA-N 422.570 3.009 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2cnc(N3CCOCC3)cc2C)cc1 72219439 URQXLXLTYGTUPD-NRFANRHFSA-N 415.559 3.451 0 40 HGAB Cc1nc(N)cc(N2CCC[C@H](c3nc(N4CCCC4)ncc3-c3cccnc3)C2)n1 72338422 ZIEMFKMKZCEZSZ-SFHVURJKSA-N 416.533 3.203 0 40 HGAB O=C(NC[C@H]1O[C@H](Cc2cc(COc3ccccc3)on2)CC[C@@H]1O)c1ccccc1 77262906 KZMHPCWCJIRCNL-ACIOBRDBSA-N 422.481 3.135 0 40 HGAB biogenic,in-vitro CCOC(=O)C1=C(Cn2nc(C)nc2-c2ccc(Cl)c(Cl)c2)NC(=O)N[C@@H]1C 78447601 GFBRJSCDXVXCFM-SECBINFHSA-N 424.288 3.079 0 40 HGAB C[C@@H]1CCCN(C(=O)[C@@H]2CCCN(C(=O)C(C)(C)C)C2)[C@H]1CNC(=O)OC(C)(C)C 78992231 OGZYJNJMEXEZKT-KURKYZTESA-N 423.598 3.423 0 40 HGAB CCc1cccc2c(C3=CCN(C(=O)CS[C@@H]4CCS(=O)(=O)C4)CC3)c[nH]c12 83827718 XCQZRUZXEYCNHG-QGZVFWFLSA-N 418.584 3.266 0 40 HGAB CCOc1ccccc1[C@H]1CC(c2ccc(OC)cc2OC)=NN1S(C)(=O)=O 95945231 CGXVTEUKQSTPRA-GOSISDBHSA-N 404.488 3.213 0 40 HGAB O=C1NC(=O)c2ccccc2/C1=C/c1cc(Br)c2c(c1)OCCCO2 98055431 RJQLZSOYLGSFGW-ZSOIEALJSA-N 400.228 3.421 0 40 HGAB CCCCNS(=O)(=O)c1cc(C(=O)O)ccc1NCCc1ccc(OC)cc1 217420672 YXBYJHAPOUZZIW-UHFFFAOYSA-N 406.504 3.126 0 40 HGAB CC[C@H](Oc1ccc(F)cc1)C(=O)NCc1nc(-c2ccc(OC)cc2OC)no1 219328853 IAWKYTXEUFDLIL-KRWDZBQOSA-N 415.421 3.367 0 40 HGAB CSc1cccc(N(CC(=O)NCCCc2cccc(C)c2)S(C)(=O)=O)c1 220071415 JTSHBSYIDGQLIJ-UHFFFAOYSA-N 406.573 3.232 0 40 HGAB CC[C@@H](C(=O)NCc1ccc(Cl)cc1)N(c1ccc(OC)cc1)S(C)(=O)=O 220641551 FTALMIUCJPERLR-SFHVURJKSA-N 410.923 3.210 0 40 HGAB CCN(c1ccc(C(=O)N[C@@H](C)COc2ccccc2C)cc1)S(=O)(=O)CC 222402769 JSDDZZGLKUSCAG-KRWDZBQOSA-N 404.532 3.368 0 40 HGAB CNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)COc1ccc(Br)cc1 222619254 OKBOEWGHRMRLTK-CYBMUJFWSA-N 423.282 3.130 0 40 HGAB COc1ccccc1C(=O)N1c2ccc(S(=O)(=O)N3CCCCC3)cc2C[C@H]1C 223090626 NDFOFYPJGBVBQZ-MRXNPFEDSA-N 414.527 3.461 0 40 HGAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1nccs1 223606679 VAPMVJUBBRUSJO-QZTJIDSGSA-N 413.572 3.301 0 40 HGAB Cc1cccc(N(CCCC(=O)NCCOc2ccc(Cl)cc2)S(C)(=O)=O)c1 224626591 XXIDFPSOXGOYNW-UHFFFAOYSA-N 424.950 3.390 0 40 HGAB CCc1onc(C)c1-c1cccc([C@H]2CN(C(=O)Cc3c(C)noc3C)CCO2)n1 257289530 PZAKBEHYZCUMLY-HXUWFJFHSA-N 410.474 3.355 0 40 HGAB Cc1cccc(N2CCC[C@@H](N(C)C(=O)C(C)(C)NC(=O)CCc3ccccc3)C2)n1 257327219 XANKIDKYAPWQCU-OAQYLSRUSA-N 422.573 3.345 0 40 HGAB COCCNC(=S)Nc1nc(N2CCC[C@H](C)C2)cc(N2CCCC[C@@H]2C)n1 260732774 BECRUTLAZCUWHT-HOTGVXAUSA-N 406.600 3.025 0 40 HGAB CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N[C@H](C)c1ccc(F)cc1 260815141 SRNQUWBQWLIJET-AUUYWEPGSA-N 408.495 3.256 0 40 HGAB Cc1nc(-c2ccc(S(=O)(=O)NC[C@@](O)(c3ccoc3)c3ccco3)cc2)co1 390826510 NCHLWIJSPPUPMQ-HXUWFJFHSA-N 414.439 3.050 0 40 HGAB COc1ccc([C@H]2[C@H](NC(=O)c3ccccc3)C(=O)N/[N+]2=C\c2ccccc2C)cc1 409061008 BJKVTOLIPYXWHE-LIFFMEMSSA-O 414.485 3.020 0 40 HGAB CN1Cc2cccc(-c3n[nH]c4c3CCN(C(=O)Cc3ccc(F)cc3)CC4)c2C1 585110441 WMGQQPDRKGGUBF-UHFFFAOYSA-N 404.489 3.331 0 40 HGAB COC(=O)c1cc(=O)n(Cc2cccc(Cl)c2)n2c(N)nc(-c3ccccc3)c12 618256451 IXQNKVXCSUNETM-UHFFFAOYSA-N 408.845 3.234 0 40 HGAB O=C1C[C@@H]2CCN(C(=O)c3c(F)cccc3F)C[C@@H]2CCOc2ncccc2N1 1534646247 FSSGZQGQZMWKRQ-KBPBESRZSA-N 401.413 3.249 0 40 HGAB O=S(=O)(C1CCCCC1)N1CC[C@@H]2CN(c3cc(C(F)(F)F)ccn3)C[C@H]21 2086896809 IWIWBCDDGQOAHO-CZUORRHYSA-N 403.470 3.273 0 40 HGAB O=C(CC(=O)c1ccccc1)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 941209 VRAHRTWBFYRSCI-UHFFFAOYSA-N 401.469 3.155 0 40 HGAB CCn1c(SC)nnc1[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1 1391770 ADGVJYZTJBRVHE-KRWDZBQOSA-N 420.535 3.421 0 40 HGAB CCCN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@@H]2c2ccccc2OC)C1=O 2122878 RUZMHLJJQDFKOZ-CVDCTZTESA-N 403.482 3.271 0 40 HGAB biogenic CC(C)OC(=O)[C@@H]1[C@H]2C=C[C@]3(CN([C@H](C)c4ccc(Br)cc4)C(=O)[C@H]13)O2 2244972 FGILBJXGENIYJK-MAECAPAWSA-N 420.303 3.244 0 40 HGAB Cc1ccccc1-n1nc2c(c1NC(=O)c1cc3ccccc3oc1=O)C[S@@](=O)C2 2725134 CLSQGIFUWULSLR-PMERELPUSA-N 419.462 3.302 0 40 HGAB CN(C)CCNC(=O)c1cccc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)c1 3217438 LAWQVZCGDHUWTN-UHFFFAOYSA-N 416.330 3.086 0 40 HGAB O=C(CCC(=O)c1ccccc1)Nc1ccc(S(=O)(=O)NCc2ccco2)cc1 3449268 QERKAPZCPGKIRU-UHFFFAOYSA-N 412.467 3.360 0 40 HGAB Cc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 3554409 WIZARLDZNPYLKS-UHFFFAOYSA-N 406.935 3.366 0 40 HGAB C[C@]12CCC(=O)C[C@H]1CC[C@H]1[C@@H]3CC[C@@]4(OCO[C@@]45COCO5)[C@@]3(C)CC(=O)[C@H]12 3882027 ZQDVAXPMAQYWLD-NEGINFGJSA-N 404.503 3.221 0 40 HGAB COc1cc(OC)cc(C(=O)N(c2ccc(Cl)cc2)[C@@H]2C=CS(=O)(=O)C2)c1 4165228 FBUYZGIETIBEQD-MRXNPFEDSA-N 407.875 3.315 0 40 HGAB C[C@@]12C[C@@H](c3ccccc3O1)[C@H](C(=O)Nc1ccc(Br)cc1)C(=O)N2 4682482 UFPTYQFRZUSDQW-GMBSWORKSA-N 401.260 3.416 0 40 HGAB O=C(CCC(=O)N(CC(=O)NC1CCCC1)Cc1cccs1)Nc1nccs1 4848320 KDLLMQZXSNFQDN-UHFFFAOYSA-N 420.560 3.011 0 40 HGAB C[C@]1(NC(=O)CCN2c3ccccc3Sc3ccccc32)CCS(=O)(=O)C1 5701396 KULWVXMGQAJANE-FQEVSTJZSA-N 402.541 3.373 0 40 HGAB CCOc1ccc2c(c1)[C@H](NC(C)=O)C(=O)N2Cc1cc2c(cc1Cl)OCO2 6661996 YETQFPJIRSSNFW-IBGZPJMESA-N 402.834 3.191 0 40 HGAB CC(=O)N1CCC(C(=O)N(Cc2nnc(-c3ccc(Cl)cc3)o2)C2CC2)CC1 7778689 RKZXOGANRCUARQ-UHFFFAOYSA-N 402.882 3.140 0 40 HGAB C[C@H](NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)c1cccnc1 8026131 ZOXLTAVNYARVQQ-SFHVURJKSA-N 409.511 3.150 0 40 HGAB O=C1Cc2cc(-c3csc(NC(=O)[C@H]4CC(=O)N(C5CCCC5)C4)n3)ccc2N1 8073192 JKDQZYOWLGJEFR-AWEZNQCLSA-N 410.499 3.034 0 40 HGAB Cc1cc(C)c(NC(=O)CN(C)CC(=O)Nc2ccc3c(c2)OCCCO3)c(C)c1 8203252 IPURVVYWEMNNLF-UHFFFAOYSA-N 411.502 3.282 0 40 HGAB CN(CCCC(=O)Nc1ccc(OC(F)F)cc1)S(=O)(=O)c1ccc(F)cc1 8395433 LAGITBHNUDNPHH-UHFFFAOYSA-N 416.421 3.467 0 40 HGAB CSC[C@@H](NC(=O)CCc1c(C)c2cc3c(C)coc3cc2oc1=O)C(=O)O 8511420 XEVACRKDGPGANH-OAHLLOKOSA-N 403.456 3.021 0 40 HGAB biogenic CC(C)(C)CC(=O)NCCn1ncc2c(=O)n(Cc3cccc4ccccc34)cnc21 9016488 FNEQEUBNQLRKHX-UHFFFAOYSA-N 417.513 3.347 0 40 HGAB COc1ccc(C)c2sc(N(C[C@H]3CCCO3)C(=O)c3cc(C)n(C)n3)nc12 9122320 XVPGMAWDCWVLEU-CQSZACIVSA-N 400.504 3.481 0 40 HGAB COc1c(C)cc(S(=O)(=O)Nc2ccc3c(c2)OCC(C)(C)C(=O)N3)cc1C 9168982 LKZYPGSZFGACMI-UHFFFAOYSA-N 404.488 3.470 0 40 HGAB CN(C)C(=O)COC(=O)c1ccccc1SCC(=O)NC1CCCCCCC1 9350579 RVLUOPFJUUPRGW-UHFFFAOYSA-N 406.548 3.253 0 40 HGAB CC[C@H]1c2ccsc2CCN1CC(=O)N(C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 9376613 WKQKKJYYEOTIDK-MJGOQNOKSA-N 424.632 3.406 0 40 HGAB CC(C)(C)C(=O)[C@H]1[C@H]2C(=O)N(c3cccc(F)c3)C(=O)[C@H]2[C@@H]2c3ccccc3C=NN12 9461285 MFOHTVHZYOGBBJ-FUMNGEBKSA-N 419.456 3.320 0 40 HGAB CN(CC(=O)NCc1ccccc1CN1CCOCC1)Cc1c(F)cccc1Cl 10024859 MBLCQMSWEOLKIG-UHFFFAOYSA-N 419.928 3.060 0 40 HGAB CCOC(=O)c1cccc(NC(=O)CSc2nnc(-c3ccccc3OC)[nH]2)c1 10475513 BDARNXNGESUPQB-UHFFFAOYSA-N 412.471 3.388 0 40 HGAB CCN1CCN(c2ccc(NC(=O)COc3ccc(C(C)=O)cc3OC)cc2)CC1 11944341 AVZYMGKPTAYDSH-UHFFFAOYSA-N 411.502 3.057 0 40 HGAB CCS(=O)(=O)N1CCCc2cc(NS(=O)(=O)c3ccccc3Cl)ccc21 12180482 LBKYUNLTFVFSBI-UHFFFAOYSA-N 414.936 3.243 0 40 HGAB COc1ccccc1CC(=O)N1CCC[C@H]([C@@H]2C[C@H](C(F)(F)F)n3ncnc3N2)C1 12181935 QWHYORVVKVRAQA-YQQAZPJKSA-N 423.439 3.056 0 40 HGAB COc1ccc2c(c1)O[C@@]1(C[C@H]3CC[C@@H]1C[C@@H]3C(=O)NCCc1ccccc1)NC2=O 12185244 SCGUHDRBLOOLMO-FOUAFEINSA-N 420.509 3.309 0 40 HGAB Cc1ccc(Cl)c2sc(N(CCN3CCOCC3)C(=O)c3ccno3)nc12 12443856 LFOZFIKRTXSGOK-UHFFFAOYSA-N 406.895 3.225 0 40 HGAB C[C@H](NC(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1)c1ccc(-n2ccnc2)cc1 12535092 BQFCFTZINNWRMY-RXVVDRJESA-N 402.498 3.141 0 40 HGAB C[C@H]1Cc2cc(C(=O)N3CCC[C@H]3c3nc4ccccc4[nH]3)ccc2N1S(C)(=O)=O 12601493 QOSDZMXCZFBCHL-XOBRGWDASA-N 424.526 3.251 0 40 HGAB COc1cc2nc(NC(=O)[C@@H]3CCCN(C(=O)c4ccco4)C3)sc2cc1OC 12760247 MUTYCRHITNNYQW-GFCCVEGCSA-N 415.471 3.397 0 40 HGAB O=C(NCc1ccc(N2CCCC2)nc1)C1CCN(c2nc3ccccc3o2)CC1 12944126 DXOXYESEEIEVAM-UHFFFAOYSA-N 405.502 3.356 0 40 HGAB COc1ccc(-c2noc(CCCCCNC(=O)Cn3nnc4ccccc43)n2)cc1 12973165 CPESCMLVZPOXDY-UHFFFAOYSA-N 420.473 3.019 0 40 HGAB CCC(CC)C(=O)N1CCC(c2nc(O)c3nnn(Cc4ccc(C)cc4)c3n2)CC1 13083121 NZZUXMTVEFQXBD-UHFFFAOYSA-N 422.533 3.426 0 40 HGAB CCN(CC(=O)Nc1c(C)cc(C)cc1C)S(=O)(=O)c1cc(F)ccc1OC 13581279 JQIRNFHGPBZWBY-UHFFFAOYSA-N 408.495 3.409 0 40 HGAB COc1ccc(-c2ccc(=O)n(CCNC(=O)Nc3ccc(F)c(F)c3)n2)cc1 13604488 LTZKVODIBDZSNQ-UHFFFAOYSA-N 400.385 3.019 0 40 HGAB Cc1ccc(Cl)cc1N([C@@H](C)C(=O)Nc1ccc2c(c1)OCCO2)S(C)(=O)=O 13681796 QVGRYNNMKWBQER-ZDUSSCGKSA-N 424.906 3.213 0 40 HGAB Cc1ccc(-c2ccc(=O)n(CCCNC(=O)Nc3ccc4c(c3)OCO4)n2)cc1 13801305 DWWPJWLUWYWWEQ-UHFFFAOYSA-N 406.442 3.159 0 40 HGAB COc1cc(CN2C(=O)N[C@@H](Cc3ccccc3)C2=O)c(OC)cc1Br 14274449 RDDKXWKSPQDWEU-HNNXBMFYSA-N 419.275 3.129 0 40 HGAB Cc1ccc2c(COC(=O)C[C@H](NC(N)=O)c3cccs3)cc(=O)oc2c1C 14409034 VGTJIWSFEWFDEV-HNNXBMFYSA-N 400.456 3.314 0 40 HGAB Cc1ccc(NC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)cc1S(N)(=O)=O 15584580 BKCUJPXBWVOVCF-UHFFFAOYSA-N 413.503 3.098 0 40 HGAB COC(=O)c1ccc(COc2ccc(N3C(=O)[C@H]4[C@@H]5C=C[C@@H](C5)[C@@H]4C3=O)cc2)cc1 16194184 XFMPZXUNUMAGRX-JWWGGVBKSA-N 403.434 3.364 0 40 HGAB O=C(NCCc1ccc(N2CCCC2)cc1)C(=O)Nc1ccc(OC(F)(F)F)cc1 17155791 OBWXPIRBGDTWTK-UHFFFAOYSA-N 421.419 3.483 0 40 HGAB Cc1c(C(=O)OCC(=O)N2C[C@H](C)O[C@H](C)C2)oc2ccc(Br)cc12 18118425 QZJRBHNRFMZSMG-PHIMTYICSA-N 410.264 3.296 0 40 HGAB O=C1c2cccc3cccc(c23)C(=O)N1c1ccc([C@H](O)CN2CCOCC2)cc1 19418460 ZMVWVFJWADLCHC-OAQYLSRUSA-N 402.450 3.006 0 40 HGAB CN(C)c1cc([C@@H]2CCCN(C(=O)C[C@@H]3CCCCO3)C2)nc(-c2ccncc2)n1 19584542 IAMONUOJZWMPCP-MOPGFXCFSA-N 409.534 3.270 0 40 HGAB c1ccc(Cn2c3ccccc3c3nnc(SCCN4CCOCC4)nc32)cc1 19818659 UTVBZNBFQXNKGK-UHFFFAOYSA-N 405.527 3.452 0 40 HGAB COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)C[C@H]1C(=O)Nc1cccc(F)c1 19819152 RJAWTDDMPQSPPT-QGZVFWFLSA-N 400.381 3.403 0 40 HGAB COc1ccc([C@@H](C)NC(=O)[C@@H](C)N(c2ccc(C)cc2)S(C)(=O)=O)cc1OC 20037531 LRUQZEWHQQQZBA-HZPDHXFCSA-N 420.531 3.044 0 40 HGAB CN(c1ccc(OS(=O)(=O)c2ccccc2)cc1)S(=O)(=O)c1ccccc1F 21820805 OYWPFASMLOJJKA-UHFFFAOYSA-N 421.471 3.419 0 40 HGAB CCOC(=O)N1CCC(C(=O)Nc2nc(CN3C[C@H](C)C[C@@H](C)C3)cs2)CC1 22293460 PIBGNJNPMFXVMC-HUUCEWRRSA-N 408.568 3.428 0 40 HGAB C[C@@H]1CCCC[C@]12NC(=O)N(CN1CCN(Cc3cccc4ccccc34)CC1)C2=O 22775542 QKBZUDWIOHERIE-CLOONOSVSA-N 420.557 3.416 0 40 HGAB COCCOC(=O)C1=C(C)N(C)C(=S)N[C@H]1c1ccc(-c2ccccc2F)o1 22826900 WELAMDAHGKBJJX-SFHVURJKSA-N 404.463 3.410 0 40 HGAB O=C(c1ccc(Br)cc1F)N1CCN(Cc2ccc3c(c2)CCO3)CC1 24179057 YEFZTWCFHOXQBE-UHFFFAOYSA-N 419.294 3.481 0 40 HGAB COc1ccc(C)cc1CN1CCN(C(=O)Cc2ccc(N3CCCC3=O)cc2)CC1 24292377 HCJFQCJNBYUFKB-UHFFFAOYSA-N 421.541 3.017 0 40 HGAB CS(=O)(=O)c1ccc2nc(NS(=O)(=O)c3ccc4c(c3)CCCC4)sc2c1 28247988 IKASXSUMKLOAHY-UHFFFAOYSA-N 422.553 3.379 0 40 HGAB CCn1c(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)nc2ccccc21 30683260 NPMUGKVUFFGNIW-MRXNPFEDSA-N 412.515 3.096 0 40 HGAB Cc1cc(C)c2c(C)c(C(=O)Nc3cc(C)nn3[C@@H]3CCS(=O)(=O)C3)sc2n1 32752843 CDJBQVFYGTZOFA-CQSZACIVSA-N 418.544 3.338 0 40 HGAB O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1nc(CN2CCCC2)cs1)c1ccco1 32978606 AFQYUNURQNOWQT-SFHVURJKSA-N 424.526 3.312 0 40 HGAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cccn3-c3ccc(F)cc3)C2=O)o1 33645377 MIAZSBMMRQYPDN-BOPFTXTBSA-N 409.373 3.089 0 40 HGAB COCCN(Cc1cc2cc(C)ccc2n2nnnc12)C(=S)NC1CCCCC1 35291280 DKJMJXXYFCBFLU-UHFFFAOYSA-N 412.563 3.242 0 40 HGAB O=C1C[C@H](C(=O)N(C2CCCC2)[C@H](C(=O)NC2CCCC2)c2ccccn2)CS1 35314027 BUPRPMDQYJWFGE-YWZLYKJASA-N 415.559 3.232 0 40 HGAB NC(=O)c1ccc(NC(=O)[C@@H]2CC(O)=Nc3c(-c4ccc(Cl)cc4)cnn32)cc1 35684761 QUWUFUWBFWGRGP-INIZCTEOSA-N 409.833 3.474 0 40 HGAB CCn1nccc1CN(C)C(=O)c1cc(-c2ccc(OC)cc2)nc2c1c(C)nn2C 36613284 AEXLZVUWZKGOMM-UHFFFAOYSA-N 418.501 3.441 0 40 HGAB O=C(CSc1cc(-c2ccccc2)nc2ncnn12)NC(=O)Nc1ccccc1 36646252 PDQNDPQHNHCHJC-UHFFFAOYSA-N 404.455 3.232 0 40 HGAB Oc1nnn(-c2ccccc2)c1CN1CCN(Cc2c(F)cccc2Cl)CC1 40158196 WWDKVNYZTFUABX-UHFFFAOYSA-N 401.873 3.083 0 40 HGAB Cc1nnsc1C(=O)N1CCC(CNC(=O)C2(c3cccs3)CCCC2)CC1 43986934 RUFOXBRXQMYXJO-UHFFFAOYSA-N 418.588 3.388 0 40 HGAB O=C(NCCc1cccs1)[C@H]1Cc2ccccc2CN1Cc1nc(C2CC2)no1 48289813 DQJBJDJTKVYGEJ-LJQANCHMSA-N 408.527 3.294 0 40 HGAB CCOc1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)c1 55768056 UOLQCSMAQOAFHH-OAHLLOKOSA-N 406.479 3.264 0 40 HGAB COc1ccc2[nH]c3c(c2c1)CN(C(=O)CN1CCN(c2ccccc2F)CC1)CC3 57063741 OOPWVLKLTLOTKG-UHFFFAOYSA-N 422.504 3.023 0 40 HGAB Fc1ccc(Nc2nc(Oc3ccc4c(c3)OCO4)nc(N3CCOCC3)n2)cc1 59639470 SCJUOUIMLBUQEL-UHFFFAOYSA-N 411.393 3.112 0 40 HGAB COC(=O)c1cccc(/N=c2\oc3cc(O)ccc3cc2C(=O)NC[C@H]2CCCO2)c1 67298562 HVBXTZGEOIYYII-UEAMBXKFSA-N 422.437 3.066 0 40 HGAB O=C(Nc1cccc(S(=O)(=O)C2CCCC2)c1)N1CCC[C@H](C2OCCO2)C1 69232344 YHVBHHCLALHPNN-HNNXBMFYSA-N 408.520 3.020 0 40 HGAB COCc1c(Br)cccc1NS(=O)(=O)c1cccc(C(=O)O)c1 71820801 YRTIZYVLSGWLCV-UHFFFAOYSA-N 400.250 3.095 0 40 HGAB Cc1ccc(Cc2cnc(NC(=O)NC[C@H](C)CN3CCN(C)CC3)s2)cc1 72274560 DQVNGNMPENKOCZ-KRWDZBQOSA-N 401.580 3.047 0 40 HGAB COc1ccc(CN2CCC3(CC2)C[C@]2(CO3)NC(=O)c3ccccc3N2)c(OC)c1 72325398 JESNFVYKSZVWQU-XMMPIXPASA-N 423.513 3.011 0 40 HGAB NC(=O)c1ccc(-c2cnc(N)nc2[C@@H]2CCCCN2C(=O)C2CCCCC2)cc1 72376883 FNRSUWWVLQBXQN-IBGZPJMESA-N 407.518 3.459 0 40 HGAB O=C(COc1ccc(F)cc1)N1CCCC[C@H]1c1ccnc(Nc2cncnc2)n1 72378070 UUWWVRAXDDENSG-IBGZPJMESA-N 408.437 3.282 0 40 HGAB Cc1cc(=O)c(OCc2ccccc2)cn1CC(=O)N1CCO[C@@H](c2ccccc2)C1 72404210 KFTLUHCBJHNDMP-HSZRJFAPSA-N 418.493 3.336 0 40 HGAB O=S(=O)(c1ccc(F)c(Cl)c1)N1CCC[C@@H](c2nnc(C(F)(F)F)o2)C1 77198137 HOFRCIBXCZHKFU-MRVPVSSYSA-N 413.780 3.449 0 40 HGAB COc1ccc(CCS(=O)(=O)NCC(O)(c2cccs2)c2cccs2)cc1 90617462 UECLEAARHVOFHH-UHFFFAOYSA-N 423.581 3.216 0 40 HGAB COc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4cccnc4)[C@@H]3C2=O)cc1 95351589 CAKLGVMOEACNNO-HBMCJLEFSA-N 401.422 3.141 0 40 HGAB CC(C)(C)OC(=O)NC[C@H]1CCCC[C@]12NC(=O)N(Cc1cccc(F)c1)C2=O 95405513 QVLADQDXUGMXDM-VFNWGFHPSA-N 405.470 3.331 0 40 HGAB CN(Cc1ccc(Br)cc1)C(=O)C(=O)Nc1ccnn1-c1ccccc1 95453650 XZCWNWGUYZWJQH-UHFFFAOYSA-N 413.275 3.232 0 40 HGAB CN(C)CCNC(=O)C[C@H]1CC2(CCN(C(=O)c3ccoc3)CC2)c2ccccc21 96052884 LAWFNRMFYPRDNT-IBGZPJMESA-N 409.530 3.009 0 40 HGAB CC(C)n1cnc2c(N3CCCC3)nc(C3CCN(C(=O)c4cnccn4)CC3)cc21 96099999 IJEFRJDAGQLZKF-UHFFFAOYSA-N 419.533 3.422 0 40 HGAB CCc1ccc(S(=O)(=O)N2CC[C@@]3(CCCN(Cc4nccs4)C3)C2)cc1 96215805 MNBJIHHOQGHUID-HXUWFJFHSA-N 405.589 3.382 0 40 HGAB COc1cccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccc(O)cc4)[C@H]3C2=O)c1 102707553 BQIMYQISQAQYDN-BHIFYINESA-N 416.433 3.452 0 40 HGAB COc1ccc(-c2nc(NC(=O)CN3C(=O)[C@H]4CCCC[C@H]4C3=O)sc2C)cc1 102888908 NXOYYBFWXUGYIA-IYBDPMFKSA-N 413.499 3.241 0 40 HGAB CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)O)c2cccc(Cl)c2Cl)cc1 113871950 INTWBTFSRMKXSR-UHFFFAOYSA-N 417.270 3.232 0 40 HGAB CCc1ccccc1NC(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 113966171 RTZDNZFQBVTRJQ-UHFFFAOYSA-N 418.515 3.205 0 40 HGAB CC[C@@H](C(=O)N[C@@H](C)c1ccc(OC)cc1)N(c1ccc(OC)cc1)S(C)(=O)=O 220657008 LHTRCZWDMZEGGQ-YWZLYKJASA-N 420.531 3.126 0 40 HGAB Cc1ccc(Cl)cc1N([C@@H](C)C(=O)NCCOCc1ccccc1)S(C)(=O)=O 224045057 DHEXMSFNDXRZEU-INIZCTEOSA-N 424.950 3.136 0 40 HGAB CNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN1C(=O)c2cccc3cccc1c23 225427148 JBPAETACJCKAED-OAHLLOKOSA-N 419.456 3.102 0 40 HGAB COc1cccc(Cc2cnc([C@]3(C)CCCN(C(=O)C4CCN(C)CC4)C3)o2)c1 257296870 RESDSWHVHCZSOD-XMMPIXPASA-N 411.546 3.496 0 40 HGAB O=C(c1ccc2ncccc2c1)N1CCC2(CC1)C[C@@H](O)[C@H](c1ccccc1)NC2=O 257320059 VVDXFRDEZFQHHD-YADHBBJMSA-N 415.493 3.079 0 40 HGAB CN([C@H](C(=O)NCc1ccc(Cl)cc1Cl)c1ccccc1)S(C)(=O)=O 260764715 LMRAIZIQILDAJB-INIZCTEOSA-N 401.315 3.242 0 40 HGAB C[C@H](C(=O)O)N1C(=O)[C@@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 408670935 YOTXEOIPMAPHDO-JIDWFDSISA-N 416.260 3.053 0 40 HGAB COc1ccc(NC(=O)CCCN(c2ccc(F)cc2)S(C)(=O)=O)cc1OC 408706008 SQEREZHREGJNSY-UHFFFAOYSA-N 410.467 3.028 0 40 HGAB COc1c(Cl)cc(/C=C2/SC(=O)N(CC(=O)O)C2=O)cc1Br 409130857 NTEIICKHUOTQPZ-RUDMXATFSA-N 406.641 3.232 0 40 HGAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCN(C)CC3)ccc2Cl)cc1C 409409480 PKFOZHXKOKTBOR-UHFFFAOYSA-N 421.950 3.145 0 40 HGAB COc1ccc(CN2CC3(CCN(C(=O)Cc4cccc(F)c4)CC3)CC2=O)cc1 585099765 QOJMQSATYHVSNJ-UHFFFAOYSA-N 410.489 3.418 0 40 HGAB CCCN1CCN(C(=O)CCN)C[C@H](Cc2ccccc2-c2ccc(C)cc2)C1=O 585183570 BSDUFNBXPYCDSL-QFIPXVFZSA-N 407.558 3.250 0 40 HGAB COC(=O)c1c(C)nc(O)nc1S[C@H](C)c1nc(N)c2c(C)c(C)sc2n1 591358352 JJNXWGWSLSAYQZ-SECBINFHSA-N 405.505 3.334 0 40 HGAB CC(C)CCN1[C@H]2CC[C@@H]1CCNc1ccccc1CN(C(=O)c1cn(C)nn1)C2 643567221 ABVMLSGFDSGXOM-UXHICEINSA-N 410.566 3.152 0 40 HGAB COc1ccc(NC(=O)CSc2nc3sc4c(c3c(=O)n2C)CCC4)cc1 933377 GMHHGLAMVRSSNW-UHFFFAOYSA-N 401.513 3.223 0 40 HGAB Nn1c(SCC(=O)Nc2ccc(Br)cc2)nnc1-c1ccccc1F 2366328 IDGLCVGNTUXWRU-UHFFFAOYSA-N 422.283 3.291 0 40 HGAB CCOc1ccc(C(=O)Nc2c3c(nn2C(C)(C)C)C[S@](=O)C3)cc1OCC 2456774 RWBKSWABHQPFKU-NDEPHWFRSA-N 405.520 3.450 0 40 HGAB CCCC(=O)N[C@@H](NC(=S)Nc1ccccc1C(=O)O)C(Cl)(Cl)Cl 2682872 AETWQLXNBWWWKE-LBPRGKRZSA-N 412.726 3.284 0 40 HGAB Cc1ccc(S(=O)(=O)c2c(N)n(C[C@@H]3CCOC3)c3nc4ccccc4nc23)cc1 3169529 PATLRCDVWWHKOB-HNNXBMFYSA-N 422.510 3.344 0 40 HGAB COc1ccc(NC(=O)COC(=O)Cc2cc(OC)c(OC)c(OC)c2)cc1Cl 3216283 MEKOCJVECDYYGG-UHFFFAOYSA-N 423.849 3.099 0 40 HGAB O=C(CN1c2cccc3cccc(c23)S1(=O)=O)NCCc1ccc(Cl)cc1 3467597 AZCRKXNXOJNPEQ-UHFFFAOYSA-N 400.887 3.361 0 40 HGAB Cc1cc(NC(=O)COC(=O)[C@H]2COc3ccccc3O2)ccc1Br 3497742 OBFMEXPAZNDBCY-MRXNPFEDSA-N 406.232 3.079 0 40 HGAB CC(C)CNC(=O)NC(=O)CSc1nc2cc(Cl)ccc2c(=O)n1C(C)C 3527868 LRCVSKLZOJPDRF-UHFFFAOYSA-N 410.927 3.205 0 40 HGAB Cc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1Cl 3549043 AFEVGBMOSJQOES-UHFFFAOYSA-N 408.907 3.230 0 40 HGAB COc1cc([C@@H]2SC[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)N32)cc(OC)c1OC 4520145 GOUCEYWELNWZIR-KUHUBIRLSA-N 418.446 3.434 0 40 HGAB Cc1ccc(CSCCNC(=O)[C@@H](C)N(c2ccccc2)S(C)(=O)=O)cc1 4590750 ZANMOWYJAUATTR-QGZVFWFLSA-N 406.573 3.199 0 40 HGAB C[C@H]1CCCN(C(=O)CSc2nc3ccccc3n2CC(=O)N2CCCCC2)C1 4859168 HCEAETYPWANZSQ-KRWDZBQOSA-N 414.575 3.399 0 40 HGAB COc1ccc(-c2cn3c(C)c(C(=O)N4CCC5(CC4)OCCO5)sc3n2)cc1 4930958 DZVCVYFLNQVPOY-UHFFFAOYSA-N 413.499 3.359 0 40 HGAB COc1ccccc1CCNC(=O)Cn1nc(-c2cc(C)c(C)cc2C)ccc1=O 5410458 MITISKLSENMWAU-UHFFFAOYSA-N 405.498 3.203 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(NC(=O)c2ccccn2)c1 6253049 AGWGLXYEDYVDHZ-UHFFFAOYSA-N 416.547 3.355 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)[C@@H]1CC1(Cl)Cl 6649795 FOIFJWFDJCJKAD-LBPRGKRZSA-N 407.319 3.002 0 40 HGAB CCc1cc(=O)oc2cc(O[C@H](C)C(=O)NCCCn3ccnc3)c(Cl)cc12 6658766 DUJGYOQWDMWGCL-CYBMUJFWSA-N 403.866 3.179 0 40 HGAB O=C(CCc1nnc2n(Cc3ccccc3)c(=O)c3ccccc3n12)NC1CCCC1 6803075 KWEBLAHJVBPYRL-UHFFFAOYSA-N 415.497 3.084 0 40 HGAB CC(C)Cn1c(=O)c2ccccc2n2c(CCC(=O)NC3CCC(C)CC3)nnc12 6803167 OVRUXZAHGYITSS-UHFFFAOYSA-N 409.534 3.328 0 40 HGAB COC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1cc(Cl)cc(Br)c1OC 6849107 SSMLPGTXZUDWEH-LBPRGKRZSA-N 403.660 3.254 0 40 HGAB COc1cc(NC(=O)COCc2cc(-c3ccc4c(c3)OCO4)on2)cc(OC)c1 6876383 QHTIVGKQEUWFHP-UHFFFAOYSA-N 412.398 3.243 0 40 HGAB Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)NC3CCCCC3)Oc3ccccc32)cc1 7871964 TXUGLOZRRMKWSR-OAQYLSRUSA-N 414.527 3.400 0 40 HGAB O=C(Cn1c(=O)cnc2ccccc21)Nc1ccc(-c2nnc3n2CCCCC3)cc1 8328710 GRVYKDBIJQPSEG-UHFFFAOYSA-N 414.469 3.020 0 40 HGAB CCc1ccccc1Nc1nc(N)nc(COC(=O)c2[nH]c(C)c(C(C)=O)c2C)n1 8428099 XVBPJKQWOFPDJH-UHFFFAOYSA-N 408.462 3.264 0 40 HGAB COC[C@H](O)CNC(=O)Cc1c(C)c2cc3c(-c4ccccc4)coc3cc2oc1=O 8764583 KAQFZYSBTPDCAT-MRXNPFEDSA-N 421.449 3.181 0 40 HGAB biogenic Cc1cc(Cl)ccc1NC(=O)CSc1nnc(CNC(=O)c2ccco2)n1C 9305372 SUNAZPAEDRLHFO-UHFFFAOYSA-N 419.894 3.031 0 40 HGAB Cc1nc(COc2ccccc2/C=C/C(=O)N2CCN(c3ncccn3)CC2)cs1 11430661 MENPDGFCCAILGP-BQYQJAHWSA-N 421.526 3.183 0 40 HGAB O=C(/C=C/c1ccccc1)N1CCC2(CC1)NC(=O)N(Cc1ccc(Cl)cc1)C2=O 11694091 OLHZXSWAOGWILI-DHZHZOJOSA-N 423.900 3.466 0 40 HGAB CC[C@H](Cn1nc(-c2ccc(F)c(F)c2)ccc1=O)NC(=O)c1c(C)noc1C 12144941 FREDLAZVCZPUAD-CQSZACIVSA-N 402.401 3.002 0 40 HGAB CC(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCCN3C(=O)Cn3cccn3)cc2N1 12181285 ORWNAMZFXYUVAB-NUEKZKHPSA-N 410.444 3.387 0 40 HGAB O=S(=O)(NCc1ccccc1CN1CCOCC1)c1ccc(Cl)c(Cl)c1 12815906 WUXLWMSOTUIPAW-UHFFFAOYSA-N 415.342 3.304 0 40 HGAB CNS(=O)(=O)c1ccc(Br)c(C(=O)N[C@@H](C)CCCC(C)C)c1 13007171 BCTAFPZHIGLYME-LBPRGKRZSA-N 405.358 3.302 0 40 HGAB Nc1ccccc1CNC(=O)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 13576517 SBBWESQCSQCWLC-NDENLUEZSA-N 415.449 3.085 0 40 HGAB O=C([C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)N1CCC[C@@H]2CCCC[C@@H]21 15612133 MBQCILFPTVGATF-QKLQHJQFSA-N 408.539 3.408 0 40 HGAB O=C(Nc1ccc(CNS(=O)(=O)c2cccc3nsnc23)cc1)c1ccco1 19079253 CIQMKQTUILDQQL-UHFFFAOYSA-N 414.468 3.015 0 40 HGAB Cn1c(CCNC(=O)Cn2c(-c3ccccn3)nc3ccccc32)nc2ccccc21 19289918 WKQZMJYHMIOZSI-UHFFFAOYSA-N 410.481 3.344 0 40 HGAB COc1ccc(CCNCc2cc3c(C)cc(C)cc3n3c(=O)n(C)nc23)cc1OC 19569347 DZRXFOTVHPXAAH-UHFFFAOYSA-N 420.513 3.153 0 40 HGAB Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)c1cc2nccc(-c3ccc(F)cc3)n2n1 19715660 GRYVYAJVGVXFFX-CYBMUJFWSA-N 406.465 3.247 0 40 HGAB Cc1nc([C@@H]2CCN(C(=O)c3cnn(C)c3)C2)ncc1C(=O)Nc1ccc(Cl)cc1 19753172 MGTIRTWSMDPRKT-CQSZACIVSA-N 424.892 3.054 0 40 HGAB CCOC(=O)[C@@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@H]1c1ccc(C)cc1 20802028 FRQKGLUJGKDIED-PMACEKPBSA-N 407.470 3.106 0 40 HGAB COc1cccc(-c2cc(=O)n3c4ccccc4n(CC(=O)NC4CCCC4)c3n2)c1 21663743 OKELKWDDYNWJJR-UHFFFAOYSA-N 416.481 3.384 0 40 HGAB CN(C)[C@H](CNC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccco1 23081047 RFKJCYBGTFITTB-LJQANCHMSA-N 413.499 3.113 0 40 HGAB COc1ccc(OC)c([C@@H]2CCCN2CN2C(=O)NC3(CCCCCC3)C2=O)c1 23673949 YDSXIOXNYRXAIF-SFHVURJKSA-N 401.507 3.443 0 40 HGAB O=C(NCc1ccccc1)C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1 24610444 BADJTPYWDTYSRN-UHFFFAOYSA-N 406.935 3.198 0 40 HGAB COc1cc(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc(OC)c1Br 24928298 NFJAAZFDNPTGLO-INIZCTEOSA-N 419.319 3.471 0 40 HGAB O=C(CSc1ccc2c(c1)OCCCO2)NCC1(N2CCOCC2)CCCCC1 25514661 GHEIWJBVXMMPBR-UHFFFAOYSA-N 420.575 3.091 0 40 HGAB O=C(CCc1ncc(-c2c(F)cccc2F)o1)N1CCN(C(=O)c2ccco2)CC1 27157370 BADCFIGLXFMIRD-UHFFFAOYSA-N 415.396 3.130 0 40 HGAB COc1ccc([C@@H](CNC(=O)c2nc(SC)ncc2Cl)N2CCCC2)cc1 28289260 MXIVWIAQVXREAL-MRXNPFEDSA-N 406.939 3.427 0 40 HGAB CCOc1ccc(-c2nc(C(=O)N3CCN(Cc4cc(C)no4)CC3)cs2)cc1 28871961 LSSKZWHDXAIBDL-UHFFFAOYSA-N 412.515 3.463 0 40 HGAB O=C(NCc1csc(-c2ccccc2)n1)c1sccc1S(=O)(=O)NC1CC1 29973031 HCVPYTXOHRIWJH-UHFFFAOYSA-N 419.553 3.242 0 40 HGAB CSc1cccc(N2C[C@@H](C(=O)NCCCN3CCc4ccccc4C3)CC2=O)c1 32400605 XASKRNFEZXDLOV-FQEVSTJZSA-N 423.582 3.326 0 40 HGAB CCOC(=O)c1c(C)oc2ncn(Cc3nnc(-c4ccc(Cl)cc4)o3)c(=O)c12 32789073 PHXWBFPIUNYYTA-UHFFFAOYSA-N 414.805 3.226 0 40 HGAB COc1ccc(C[C@H](NC(=O)C[C@H]2C=CS(=O)(=O)C2)c2ccc(OC)cc2)cc1 32808844 MXIHIZGJCWZSLB-UTKZUKDTSA-N 415.511 3.052 0 40 HGAB CCOC(=O)c1cc2cc(NC(=O)Nc3ccc(S(N)(=O)=O)cc3)ccc2s1 32826259 NASRLNJKMKXGRS-UHFFFAOYSA-N 419.484 3.369 0 40 HGAB Cc1nc2c3ccccc3nc(S[C@H](C)C(=O)N3CC(=O)Nc4ccccc43)n2n1 32871557 XLZLQTJQOOAULW-GFCCVEGCSA-N 418.482 3.052 0 40 HGAB NS(=O)(=O)c1cccc(CNC(=O)NCCC(c2ccccc2)c2ccccc2)c1 32916632 QXVJNKSYAXORON-UHFFFAOYSA-N 423.538 3.355 0 40 HGAB COc1ccccc1N1CCN([C@H](c2ccccc2F)c2nnnn2C(C)(C)C)CC1 35292093 SRWQLTYAQAMABW-OAQYLSRUSA-N 424.524 3.487 0 40 HGAB CC(C)c1noc(CCCC(=O)Nc2ccc(S(=O)(=O)N(C)C(C)C)cc2)n1 40130333 SBOXWKMFPSIKBX-UHFFFAOYSA-N 408.524 3.183 0 40 HGAB Cc1cccc(NC(=O)CN2CCN(Cn3nc(C(C)(C)C)oc3=S)CC2)c1C 40139236 QHZCNOUNKMGCFK-UHFFFAOYSA-N 417.579 3.334 0 40 HGAB O=C(NCc1ccc(F)cc1)[C@@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 44901819 JVHNTPGTEAIVIR-HXUWFJFHSA-N 418.534 3.117 0 40 HGAB COc1cc(CN(C)C(=O)NCCc2cn3ccccc3n2)ccc1OC(F)F 45610556 KQVUPFYECUDJKF-UHFFFAOYSA-N 404.417 3.328 0 40 HGAB COc1cc(OC)c(NC(=O)CSc2cc(-n3cccn3)ncn2)cc1Cl 49404032 VFHNNTRWXREILZ-UHFFFAOYSA-N 405.867 3.064 0 40 HGAB CCOC(=O)[C@H]1CCCN(Cc2nc(-c3ccc(N4CCCCCC4)nc3)no2)C1 49409686 DCJDECYMIUATSS-SFHVURJKSA-N 413.522 3.287 0 40 HGAB Cc1nc(NC(=O)[C@H](Cc2ccccc2)NC(=O)N2CCSCC2)sc1C 49543861 GKEYIIIOOKFOAV-INIZCTEOSA-N 404.561 3.068 0 40 HGAB COCCCNC(=O)CSc1nc2ccsc2c(=O)n1-c1ccc(C)c(C)c1 57428460 LXGVZUZKEGMRMY-UHFFFAOYSA-N 417.556 3.309 0 40 HGAB Cc1ccc(-c2cc(C(=O)NC[C@@H](c3ccc(F)cc3)N3CCOCC3)n[nH]2)s1 57739551 IPIDMZZCZCZZPG-IBGZPJMESA-N 414.506 3.389 0 40 HGAB CCS(=O)(=O)c1ccccc1C(=O)NCc1ccnc(OCc2ccccc2)c1 58953592 ZRSHUGSTFZINPN-UHFFFAOYSA-N 410.495 3.384 0 40 HGAB CCCn1c(CNCCc2nc(-c3ccccc3)ncc2C(N)=O)nc2ccccc21 72352096 ZBMXJFMDNRIEFP-UHFFFAOYSA-N 414.513 3.335 0 40 HGAB Cc1csc([C@@](O)(CC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)C(F)(F)F)n1 84268118 XKQAFJWPPUPPEW-YOEHRIQHSA-N 418.412 3.331 0 40 HGAB Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)N1CCC[C@@H]([C@H](C)O)C1 89520874 LNQMKNXAXLXNRM-LSDHHAIUSA-N 406.324 3.485 0 40 HGAB CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)NC[C@H]1CCCN1Cc1ccccc1 89791050 IXXGBLUGLVDKAX-YADHBBJMSA-N 411.521 3.361 0 40 HGAB O=C(Cc1noc2ccccc12)Nc1cc(OCc2ccc3c(c2)OCO3)ncn1 90593586 MXCGLDDHBOFQBX-UHFFFAOYSA-N 404.382 3.107 0 40 HGAB COc1ccc(Br)cc1S(=O)(=O)N(C[C@@H](C)O)c1ccccc1 95393880 FKSFCUZFPMAXMW-GFCCVEGCSA-N 400.294 3.034 0 40 HGAB Cc1nn(-c2ccccc2F)c(C)c1[C@@H]1COCCN1C(=O)CC1CCOCC1 95998561 ODJIVFSJKGMVHJ-FQEVSTJZSA-N 401.482 3.345 0 40 HGAB COc1ccc(-c2nn(CCCC(=O)Nc3nc(C)cs3)c(=O)cc2OC)cc1 96100918 CTNLUZNMCUSQLQ-UHFFFAOYSA-N 414.487 3.111 0 40 HGAB COc1cc(C(=O)N2CCN(c3cc(-c4ccccc4)n[nH]3)CC2)cc(OC)c1OC 98211668 URAUENAAOGPSKQ-UHFFFAOYSA-N 422.485 3.065 0 40 HGAB CCOC(=O)CSc1nnc2[nH]c3c(c(=O)n12)C1(CCCC1)Cc1ccccc1-3 101150868 GVNCPTZNKPFICS-UHFFFAOYSA-N 410.499 3.108 0 40 HGAB biogenic CN(c1cccc(Cl)c1)S(=O)(=O)c1cccc(C(=O)/N=c2/sccn2C)c1 105000186 OLFVFBNLWVKJKO-CZIZESTLSA-N 421.931 3.306 0 40 HGAB CCOC(=O)C1=C(C)N=C2SC=CN2[C@H]1c1ccc(OCCOC)c(OC)c1 108039429 JILOUDVXZFIMAT-SFHVURJKSA-N 404.488 3.488 0 40 HGAB CC(C)c1ccc(NC(=O)c2ccc(CS(=O)(=O)N3CCOCC3)cc2)cc1 113959015 ATMRMAYPPFURRH-UHFFFAOYSA-N 402.516 3.224 0 40 HGAB Cc1ccc(C(=O)NCCSCc2ccccc2F)cc1N(C)S(C)(=O)=O 222459544 WZBXFJLGKLUQBI-UHFFFAOYSA-N 410.536 3.193 0 40 HGAB COc1ccc2cc(S(=O)(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)ccc2c1 222616681 XYZTWVLCRWVNRP-UHFFFAOYSA-N 423.494 3.447 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)Nc1ccccc1OC 223274249 PROVQFZVDIRLOK-UHFFFAOYSA-N 418.515 3.060 0 40 HGAB CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(C)n1-c1cccnc1 223646631 HGXCANBEJZDQQE-NHCUHLMSSA-N 421.526 3.111 0 40 HGAB Cc1ccc(OCCNC(=O)[C@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)cc1C 223898371 JTFHSHZRDCJAFI-INIZCTEOSA-N 424.950 3.307 0 40 HGAB CC(C)CNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)COc1ccccc1F 224514353 YSCFELIOAATWSZ-SFHVURJKSA-N 400.494 3.437 0 40 HGAB CC[C@H](C(=O)N1CCN(c2nccn3nc4c(c23)CCCC4)CC1)c1ccccc1 225331246 DRHQOERBLAHBSF-IBGZPJMESA-N 403.530 3.451 0 40 HGAB CNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)COc1ccc(Br)cc1 225432642 IRGDKVCWDCIOCA-ZDUSSCGKSA-N 423.282 3.130 0 40 HGAB CCn1c(=O)sc2cc(S(=O)(=O)N[C@H](C)COc3ccccc3C)ccc21 225696744 DYBYQUVZEKCWNN-CQSZACIVSA-N 406.529 3.137 0 40 HGAB COc1ccc(-c2noc(CNC(=S)Nc3ccc(N4CCCC4=O)cc3)n2)cc1 225824312 UJCRICCHSYHYGS-UHFFFAOYSA-N 423.498 3.359 0 40 HGAB Cc1ccc2c(c1)[C@@H](NC(=O)[C@H](c1ccccc1)N(C)S(C)(=O)=O)CC(C)(C)O2 260767031 KXENHVFKHXSZQX-ICSRJNTNSA-N 416.543 3.346 0 40 HGAB O=C(/C=C/c1ccccc1Cl)N1CCC(n2c(O)nc3ncccc3c2=O)CC1 390830818 NQZJZPCXFIJXCW-BQYQJAHWSA-N 410.861 3.027 0 40 HGAB COc1ccc(NC(=O)[C@@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)c(OC)c1 408559143 ULEJKRCGJLDVFT-GFCCVEGCSA-N 412.895 3.150 0 40 HGAB COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)N3CCCC3)cc2)c1 408588276 FJJORJIIBLNWDG-UHFFFAOYSA-N 405.476 3.132 0 40 HGAB Cc1n[nH]c(C)c1NC(=O)CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]12 524734793 PDWXPEVNLNGYSZ-NRFANRHFSA-N 415.453 3.170 0 40 HGAB biogenic CN(C1=NS(=O)(=O)c2ccccc21)C1CCN(Cc2cc(F)ccc2F)CC1 1888922150 YOFMMLQIUKBMAH-UHFFFAOYSA-N 405.470 3.010 0 40 HGAB Cc1cc(OC[C@]2(O)CCCN(C(=O)CCN3CCCC3=O)CC2)cc(C)c1Cl 2037912741 XRNPDCIYRYKGHT-QFIPXVFZSA-N 422.953 3.092 0 40 HGAB COc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)N3CCCCC3)cc2c1 892806 SEHXXKRVAIZRMN-HXUWFJFHSA-N 408.506 3.214 0 40 HGAB CCCn1c(SCC(=O)Nc2ccccc2C(=O)OC)nnc1-c1ccco1 1364369 RPPGMMFKKDVJRO-UHFFFAOYSA-N 400.460 3.466 0 40 HGAB Cc1ccc(-n2c3c(cc(C(=O)Nc4ccccc4C(N)=O)c2=O)C(=O)CCC3)cc1 1424554 QFDKCYJBHRWDJL-UHFFFAOYSA-N 415.449 3.016 0 40 HGAB COC(=O)[C@](NNc1ccccc1C)(NC(=O)c1ccc(Cl)cc1)C(F)(F)F 2050369 KVIQAPISJMXGAN-QGZVFWFLSA-N 415.799 3.427 0 40 HGAB CCCC(=O)N[C@H](NC(=S)Nc1ccc(C(=O)O)cc1)C(Cl)(Cl)Cl 2682867 MVSMOZGSXFXETK-GFCCVEGCSA-N 412.726 3.284 0 40 HGAB CCN(CC)C[C@H](C)NC(=O)[C@H](C)n1nc(C(F)(F)F)c(Br)c1C 2780824 RXYGVGZLPDFBPQ-ONGXEEELSA-N 413.282 3.380 0 40 HGAB COc1ccccc1C(=O)NCC(=O)OCC(=O)c1ccc2c(c1)-c1ccccc1C2 3302239 UKZPNMVKPGEOBC-UHFFFAOYSA-N 415.445 3.422 0 40 HGAB CN(C)S(=O)(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2Cl)cc1 3382427 QAERZADVZCWGKO-UHFFFAOYSA-N 403.287 3.261 0 40 HGAB O=C(CSc1nc2ccccc2c(=O)n1C[C@H]1CCCO1)N1CCc2ccccc21 3444878 NDFWMPWWCFOHIG-QGZVFWFLSA-N 421.522 3.257 0 40 HGAB C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)N2CCc3ccccc3C2)C1=O 3486480 WXTGTQIXMHKJHJ-VWLOTQADSA-N 413.477 3.192 0 40 HGAB O=C(COC(=O)c1cc2ccccc2o1)c1ccc(S(=O)(=O)N2CCCC2)cc1 4332239 UJAGESFUWPARJI-UHFFFAOYSA-N 413.451 3.257 0 40 HGAB O=C(COc1ccccc1)NC[C@@H](c1ccco1)S(=O)(=O)c1ccc(F)cc1 4519197 MYDOYFWCCQBGTQ-IBGZPJMESA-N 403.431 3.129 0 40 HGAB COC(=O)c1cccc(NC(=O)CSc2nc3sc(C)c(C)c3c(=O)[nH]2)c1 4861529 XJSSVCGUGALHNC-UHFFFAOYSA-N 403.485 3.119 0 40 HGAB CN(C)CCNC(=O)[C@@H]1CS[C@@H](c2ccc(Cl)cc2)N1C(=O)OC(C)(C)C 6363855 BDCTYTCNIRVWSR-RDJZCZTQSA-N 413.971 3.369 0 40 HGAB C[C@@H]1CCCN(S(=O)(=O)c2csc(C(=O)Nc3ccc(C(=O)O)cc3)c2)C1 6680929 GUUNOMNPUXQENJ-GFCCVEGCSA-N 408.501 3.119 0 40 HGAB Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)c(C)n1-c1ccc(C#N)cc1 6961541 SCSSLICQASJNCT-RGVLZGJSSA-N 411.421 3.027 0 40 HGAB O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCN(c2ccc(F)cc2)CC1 7059762 QPMRXKMWVPBCCQ-UHFFFAOYSA-N 404.385 3.235 0 40 HGAB COc1ccc2nc(NC(=O)CSc3nnc(C(F)(F)F)n3C)sc2c1 7198771 UNKNGNDWYYDJIL-UHFFFAOYSA-N 403.411 3.183 0 40 HGAB Cc1cc(S(=O)(=O)NCCCn2cnc3ccccc32)ccc1Br 7364900 RXZRXHVQVPUVNE-UHFFFAOYSA-N 408.321 3.476 0 40 HGAB CCCCOc1ccc(C(=O)N2CCNC(=O)[C@H]2CC(=O)OC2CCCCC2)cc1 7610627 DTUFBXGTTYBXSJ-HXUWFJFHSA-N 416.518 3.072 0 40 HGAB Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)N1CCN(C(=O)c2cccnc2)CC1 8163248 NFIQVHIFGSUZBW-UHFFFAOYSA-N 415.559 3.143 0 40 HGAB CCSc1nnc(NC(=O)[C@@H](CCSC)N2C(=O)c3ccccc3C2=O)s1 9390571 YOIFYBYEDKUDNV-GFCCVEGCSA-N 422.557 3.007 0 40 HGAB COc1ccc(C(=O)NCCC(c2ccccc2)c2ccccc2)cc1S(N)(=O)=O 9514932 XTSZAEZPGFIMSL-UHFFFAOYSA-N 424.522 3.295 0 40 HGAB CC(C)S(=O)(=O)c1cccc(C(=O)Nc2sc3c(c2C(N)=O)CCCC3)c1 9621448 AQZYKTZKSZDYSF-UHFFFAOYSA-N 406.529 3.160 0 40 HGAB Cc1cc(C)n(-c2ccc(C(=O)Nc3cc(C(N)=O)ccc3N3CCCC3)cc2)n1 9904146 WSZOGMJGELJHSD-UHFFFAOYSA-N 403.486 3.441 0 40 HGAB CCOc1cc([C@H]2N[C@@H](C(=O)O)CS2)ccc1OCc1cc(OC)ccc1OC 10130141 GKBXBIIXNGCBTH-UZLBHIALSA-N 419.499 3.470 0 40 HGAB Cc1ccc(C(=O)Nc2ccccc2C(=O)NC(C)(C)C)cc1NS(C)(=O)=O 10335927 QLBCHIZIHQLREH-UHFFFAOYSA-N 403.504 3.147 0 40 HGAB Cc1cccc(CSc2nc(-c3ccc(F)cc3)nc3c2c(=O)n(C)c(=O)n3C)c1 11758210 PQEBMQXJDRCDSY-UHFFFAOYSA-N 422.485 3.434 0 40 HGAB CCCn1c(C)c(C)c(S(=O)(=O)c2ccc(OC)cc2)c1N(C(C)=O)C(C)=O 12409729 CWBCBZOHILLZIK-UHFFFAOYSA-N 406.504 3.256 0 40 HGAB COc1ccc(-c2cc(CNC(=O)[C@H]3CC(=O)N(c4ccc(F)cc4)C3)no2)cc1 12638322 HUCKIXLINJFZKK-HNNXBMFYSA-N 409.417 3.159 0 40 HGAB COC(=O)c1sccc1S(=O)(=O)N(Cc1ccc2c(c1)OCO2)C1CCCC1 12746532 RSENYXUVGLSOSB-UHFFFAOYSA-N 423.512 3.397 0 40 HGAB C[C@@H](NC(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1)c1cccc(Cl)c1 12800608 DOCVHFAOTDLWIB-KDOFPFPSSA-N 422.934 3.288 0 40 HGAB Cc1ccccc1[C@@H](OC[C@@H](O)Cn1cnc2ncccc2c1=O)c1ccccc1 12845729 KAUCSJQAXXYHGK-UGKGYDQZSA-N 401.466 3.267 0 40 HGAB C[C@@]12CCC(=O)N1[C@@H](C(=O)Nc1nnc(SCc3ccccc3)s1)CS2 12853151 RWZSLAAUUDTXRH-SJKOYZFVSA-N 406.558 3.223 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCCc4ccccc43)C2)s1 13000105 UZLIOWFBTQLRMJ-KRWDZBQOSA-N 404.557 3.437 0 40 HGAB Cc1ccccc1NC(=O)CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 13069659 FNISVSYXWCFNSK-UHFFFAOYSA-N 402.394 3.201 0 40 HGAB Cc1cc(C)n(C[C@@H](C)C(=O)N2CCC[C@@H](c3nc4ccccc4cc3C(N)=O)C2)n1 13225363 MJSAQXXJZALMSX-DNVCBOLYSA-N 419.529 3.189 0 40 HGAB CCOC(=O)c1c(NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)sc2c1CCC2 13566582 JWMHQIOVKZUEJJ-UHFFFAOYSA-N 422.528 3.062 0 40 HGAB CC[C@]1(c2ccc(F)cc2)NC(=O)N(C[C@H](O)COc2ccc(C)cc2C)C1=O 14252285 ZSENTGPXRCSJDA-PGRDOPGGSA-N 400.450 3.040 0 40 HGAB Cc1c(NC(=O)CCc2nc(-c3ccsc3)no2)c(=O)n(-c2ccccc2)n1C 15576556 WLWHFVWZPTXQQE-UHFFFAOYSA-N 409.471 3.167 0 40 HGAB O=C1[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccccc3)N2C(=O)CN1CCCCCO 16042197 ZPAUWAJFODAXGD-ZJSXRUAMSA-N 417.509 3.015 0 40 HGAB biogenic Cc1nc(NC(=S)NC(=O)c2ccc3c(c2)OCCO3)ccc1Br 16249915 OSYGNQHCFWKORP-UHFFFAOYSA-N 408.277 3.051 0 40 HGAB COc1cc2c(cc1OC)[C@@H](c1c(O)[nH]c(=S)n(C3CCCCC3)c1=O)NCC2 17197452 XJUKIFZZMNYBHQ-SFHVURJKSA-N 417.531 3.369 0 40 HGAB COc1cc(COC(=O)c2ccccc2NS(C)(=O)=O)ccc1OC(F)F 18263476 FPNZEYCGJPNMEI-UHFFFAOYSA-N 401.387 3.025 0 40 HGAB O=S(=O)(c1cccc2nsnc12)N1CCCN(Cc2ccc(Cl)cc2)CC1 19078584 OQRVINDANNWAGB-UHFFFAOYSA-N 422.963 3.241 0 40 HGAB O=c1ccc2cc(S(=O)(=O)N3CCC[C@H](c4nc5ccccc5[nH]4)C3)ccc2o1 19375795 HDAGAXPYFBYTGA-HNNXBMFYSA-N 409.467 3.238 0 40 HGAB CNC(=O)[C@@]1(Cc2ccccc2-c2cncnc2)CCCN(Cc2cccnc2)C1 19591338 BJLYOQXRZHXHBN-XMMPIXPASA-N 401.514 3.110 0 40 HGAB CCc1nc(-c2cncnc2[C@H]2CCN(C(=O)CCOc3cccc(F)c3)C2)no1 19693843 RMIIJTXLSGSZQO-AWEZNQCLSA-N 411.437 3.013 0 40 HGAB CCN(CC)C1CCN(C(=O)c2cnn3c(-c4ccc(OC)cc4)ccnc23)CC1 19719037 IOOYRPNBGWCBRC-UHFFFAOYSA-N 407.518 3.351 0 40 HGAB Cc1[nH]c2ccc(F)cc2c(=O)c1CN1CCN(Cc2ccc3c(c2)OCO3)CC1 19793454 AKURWIACRSDEPL-UHFFFAOYSA-N 409.461 3.022 0 40 HGAB CCN1CCN(c2c(S(=O)(=O)c3ccccc3)cnc3ccc(OC)cc23)CC1 20381917 ULIFBKPSGDOCSR-UHFFFAOYSA-N 411.527 3.218 0 40 HGAB COc1ccc([C@@H](CC(C)C)NC(=O)CN(c2ccccc2)S(C)(=O)=O)cc1 20454537 WUYHOGDXFZAYIJ-HXUWFJFHSA-N 404.532 3.365 0 40 HGAB O=C(c1cccc(S(=O)(=O)NCC(F)(F)F)c1)N1CC[C@@H]2CCCC[C@H]2C1 21905489 GEYAXWYFEXRZDO-ZFWWWQNUSA-N 404.454 3.180 0 40 HGAB CC[C@@H](NC(=O)CN(c1c(C)cccc1C)S(C)(=O)=O)c1ccc(OC)cc1 22338785 JYPDRJGRTNFPTN-LJQANCHMSA-N 404.532 3.346 0 40 HGAB CC[C@H](C)NS(=O)(=O)c1ccc(OCC(=O)N[C@H](C)c2ccc(F)cc2)cc1 22536793 KOPCQUNEKALEEZ-LSDHHAIUSA-N 408.495 3.159 0 40 HGAB COc1ccccc1N1CCN(C[C@@H](O)CO[C@@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)CC1 23115494 SWFMYEJWXJGCLJ-JDKSZYQJSA-N 402.579 3.410 0 40 HGAB O=C(CN1C(=O)COc2ccc(Cl)cc21)Nc1nnc(-c2ccccc2)s1 23777844 DBHQKRUTCWDQBD-UHFFFAOYSA-N 400.847 3.223 0 40 HGAB COCCN(Cc1ccco1)C(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 25094787 NWIKBIBNPPNDOX-UHFFFAOYSA-N 417.465 3.327 0 40 HGAB CN(C)[C@@H](CNC(=O)CCn1c(=S)[nH]c2ccccc2c1=O)c1cccc(F)c1 27593394 SQPXZUQFEFOTEZ-SFHVURJKSA-N 414.506 3.007 0 40 HGAB O=C(Cc1c[nH]c2ccccc12)N1CCN(Cc2nc(-c3ccsc3)no2)CC1 31042482 MOYYDHOSJRRCLA-UHFFFAOYSA-N 407.499 3.166 0 40 HGAB Cc1ccc(-c2nc(CS[C@H](C)C(=O)N[C@H]3CCS(=O)(=O)C3)cs2)cc1 31411905 OYBUWOGTBDYDKZ-HIFRSBDPSA-N 410.586 3.044 0 40 HGAB COC(=O)c1ccc(S(=O)(=O)N(Cc2ccc(OC)cc2)[C@@H](C)C2CC2)cc1 31656722 YIMYOXHWHJPGFB-HNNXBMFYSA-N 403.500 3.471 0 40 HGAB CC(=O)Nc1cccc(NC(=O)[C@H]2CCCN(c3ccc4nnc(C(C)C)n4n3)C2)c1 32091190 OEEDSVKFEMGRNL-INIZCTEOSA-N 421.505 3.061 0 40 HGAB COCCCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2OC)n2c1nc1ccccc12 32581141 FWCOXKSNZWWYRI-LJQANCHMSA-N 422.485 3.306 0 40 HGAB CC(=O)c1cc(CCC(=O)OCc2nc(N)nc(Nc3ccccc3C)n2)oc1C 32824229 PENFJEHTNCVLQR-UHFFFAOYSA-N 409.446 3.286 0 40 HGAB CCCNS(=O)(=O)c1ccc(OCC(=O)NCCC2=CCCCC2)c(Cl)c1 33663139 MWYVNOUVTLAISG-UHFFFAOYSA-N 414.955 3.414 0 40 HGAB Cc1ccc(SCC(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)c(C)c1 35268991 KJJZZMFACQKLOW-UHFFFAOYSA-N 415.534 3.318 0 40 HGAB O=C(NCc1cccnc1)c1ccc2c(c1)C(=O)N(Cc1ccccc1Cl)C2=O 36354495 GQMIVYWFTPTPIB-UHFFFAOYSA-N 405.841 3.461 0 40 HGAB CCCNC(=O)[C@H](C)NC(=O)Nc1ccc(Br)cc1Br 40098232 JFBOSTFJUCXZCI-QMMMGPOBSA-N 407.106 3.248 0 40 HGAB C[C@H](CNC(=O)c1sccc1S(=O)(=O)N1CCCCC1)N(C)c1ccccc1 40108030 MNKJATFLJQNDOI-MRXNPFEDSA-N 421.588 3.177 0 40 HGAB C[C@H](C(=O)NC1CCCCCC1)N1CCN(C(=O)N(C)Cc2ccccc2)CC1 40135408 YTNHFZZXJIVBIP-LJQANCHMSA-N 400.567 3.084 0 40 HGAB Cc1oc(C(=O)NC[C@@H]2CCCc3ccccc32)cc1S(=O)(=O)N1CCCC1 48299790 AVCQRDAYFBBETC-KRWDZBQOSA-N 402.516 3.222 0 40 HGAB O=C(Nc1ccc2c(c1)C(=O)N1CCCC[C@@H]1CCO2)[C@@H]1COc2ccccc2O1 49030326 HQIKVDWPPNNQHW-IERDGZPVSA-N 408.454 3.242 0 40 HGAB CCNC(=O)[C@H]1CCCN(c2nc3c(-c4cccc(OC)c4)csc3c(=O)[nH]2)C1 49421323 NBZATXAXNCJYSH-AWEZNQCLSA-N 412.515 3.013 0 40 HGAB Cc1ccc2[nH]c(=O)c(CN(Cc3nnnn3C3CCCC3)C[C@H]3CCCO3)cc2c1 57606900 CDEYTPWXXFMKEB-HXUWFJFHSA-N 422.533 3.119 0 40 HGAB CCc1ccccc1NC(=O)CN(C)Cc1nc(N)nc(Nc2ccccc2C)n1 58164446 FIPNHCNUEUSLNP-UHFFFAOYSA-N 405.506 3.139 0 40 HGAB O=C(Nc1cccc(N2CCOC2=O)c1)N[C@@H](Cc1ccccc1)[C@H](O)C(F)F 58345554 SJFVZAPIUOGPKU-IRXDYDNUSA-N 405.401 3.002 0 40 HGAB O=C(Cn1ccn2nc(-c3ccc4c(c3)OCO4)cc2c1=O)Nc1ccccc1Cl 64591326 NNZPOWCAKFVWRH-UHFFFAOYSA-N 422.828 3.184 0 40 HGAB Cc1csc(Nc2cccc(NS(=O)(=O)c3ccc4c(c3)oc(=O)n4C)c2)n1 69947969 XTSKDRGPXGPPPJ-UHFFFAOYSA-N 416.484 3.441 0 40 HGAB O=C(NC[C@@H]1CCCN(Cc2ccccc2)C1)Nc1cccc(N2CCNC2=O)c1 70011275 MDCSPEDBJXNEBY-IBGZPJMESA-N 407.518 3.250 0 40 HGAB O=C(CN(Cc1cccc(OCC(F)(F)F)c1)C[C@H]1CCCO1)N1CCCC1 78947845 USHULLUKQOCIKX-GOSISDBHSA-N 400.441 3.231 0 40 HGAB O=C(C[C@@H]1CC2(CCN(C(=O)c3cnccn3)CC2)c2ccccc21)NCC1CC1 96052685 TVUHCZJFJVQWMP-GOSISDBHSA-N 404.514 3.054 0 40 HGAB O=C(Nc1ccc2c(c1)OCO2)[C@@H]1C[C@]12CCN(C(=O)NCc1cccc(F)c1)C2 96075124 ZFACLROXHNIPQG-JTSKRJEESA-N 411.433 3.115 0 40 HGAB CCN1CC[C@]2(CN(CC(C)C)CC23CCN(C(=O)c2occc2C)CC3)C1=O 96262756 XFSVCMDVYPTRAF-QHCPKHFHSA-N 401.551 3.021 0 40 HGAB CCOc1ccc(N/C=C(/C(=O)OC)S(=O)(=O)c2ccc(OCC)cc2)cc1 100025939 MKFPFZWCFBFFDP-RGEXLXHISA-N 405.472 3.384 0 40 HGAB Cc1ccc(N2CCN(S(=O)(=O)C[C@]34CC[C@@H](CC3=O)C4(C)C)CC2)cc1Cl 100196788 IQDOZLCPRLZJSR-HRAATJIYSA-N 424.994 3.496 0 40 HGAB CCOC(=O)Cn1/c(=N/C(=O)c2c(F)cccc2F)sc2cc3c(cc21)OCO3 101035445 OSFUVEJXDQNBPV-QOCHGBHMSA-N 420.393 3.014 0 40 HGAB COc1ccc(CN(C(=O)[C@@H]2CN(Cc3ccccc3)CC2=O)c2ccccn2)cc1 101271049 XGUOAEXORPNZNL-JOCHJYFZSA-N 415.493 3.325 0 40 HGAB O=C(c1ccc(Cl)cc1)N1CCN(CCNc2cc(=O)oc3ccccc23)CC1 101655495 BDJAMSFTTWFDMG-UHFFFAOYSA-N 411.889 3.316 0 40 HGAB O=c1c(Cl)c(Cl)cnn1-c1ccc(S(=O)(=O)NC2CCCCC2)cc1 105700096 URUGBGADZQUGED-UHFFFAOYSA-N 402.303 3.150 0 40 HGAB COc1cc(CN2Cc3ccccc3C[C@@H]2C(=O)NCc2ccccn2)ccc1O 105932259 AFWWORTVRUDXRY-OAQYLSRUSA-N 403.482 3.039 0 40 HGAB CC[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc(C)cc1C 219991943 QAVUMWCNLGMKHQ-NRFANRHFSA-N 416.543 3.205 0 40 HGAB C[C@@H](C(=O)NCCSCc1ccccc1)N(c1ccccc1F)S(C)(=O)=O 220297841 HTOQOVILOZGKCQ-HNNXBMFYSA-N 410.536 3.030 0 40 HGAB CC[C@H](C(=O)NCCN(C)c1ccccc1)N(c1cc(C)cc(C)c1)S(C)(=O)=O 220578844 RTOZFHBZDCAROD-OAQYLSRUSA-N 417.575 3.101 0 40 HGAB CCOC(=O)c1ccc(NC(=O)c2cccc(N(C)S(C)(=O)=O)c2)cc1Cl 222421653 CSTMIEJKVZDNJZ-UHFFFAOYSA-N 410.879 3.165 0 40 HGAB CC(C)Oc1ccc(CNC(=O)c2cccc(N3CCCCS3(=O)=O)c2)cc1 222559325 WAAJZRXQXLDSEY-UHFFFAOYSA-N 402.516 3.334 0 40 HGAB COc1ccccc1[C@@H](C)NC(=O)c1ccc(C)c(N2CCCCS2(=O)=O)c1 223710822 FAIFBCWJYDDIDZ-MRXNPFEDSA-N 402.516 3.425 0 40 HGAB Cc1ccccc1N(C)S(=O)(=O)c1cccc(C(=O)N(C)[C@@H]2CCCC[C@H]2O)c1 224126385 LHFGBJAUEUQPNS-NHCUHLMSSA-N 416.543 3.196 0 40 HGAB CCOc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(C(F)(F)F)cc2)cc1 224601569 IGSNSBIJMAAAGB-UHFFFAOYSA-N 403.378 3.384 0 40 HGAB Cc1cccc(N(CCCC(=O)NCCCN2CCCCCC2)S(C)(=O)=O)c1C 224951997 ZPCBUUJXVYCXKX-UHFFFAOYSA-N 423.623 3.232 0 40 HGAB O=S(=O)(NCC1CCN([C@H]2CCSC2)CC1)c1ccc(OC(F)(F)F)cc1 225574128 PJURXXKJXGNCQE-AWEZNQCLSA-N 424.510 3.081 0 40 HGAB Cc1c(C(=O)NCCn2nc(-c3cnccn3)cc2C2CC2)cnn1-c1ccccc1 238822047 CWLUZYRETORNQF-UHFFFAOYSA-N 413.485 3.142 0 40 HGAB COc1cc(C)c(C)cc1S(=O)(=O)NC[C@](O)(c1ccsc1)c1ccco1 245187629 ZRJXDHSFGAEONO-IBGZPJMESA-N 407.513 3.181 0 40 HGAB CCCc1cc(C(=O)N2CCC(COc3ccc(Cl)cc3)(CC(N)=O)CC2)no1 257250510 JMVHDWITUSAJGI-UHFFFAOYSA-N 419.909 3.457 0 40 HGAB O=S1(=O)c2ccc(-c3cccnc3)cc2[C@H]2CN(Cc3ccc4c(c3)OCO4)C[C@@H]21 306136228 PNNBQELDCGKANH-XXBNENTESA-N 420.490 3.233 0 40 HGAB Cn1cc(CC(=O)N2CC[C@@H](c3ccccc3F)S(=O)(=O)CC2)c2ccccc21 390830467 LGUGOWMWIVCGQW-NRFANRHFSA-N 414.502 3.248 0 40 HGAB Cc1c(Cl)cccc1NC(=O)[C@H](C)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 408704604 QJOXABBHJNKORW-ZDUSSCGKSA-N 424.906 3.213 0 40 HGAB C[C@@H](NC(=O)C(=O)Nc1ccccc1C(=O)NCCc1ccccc1)c1ccccc1 408709695 FQGMMTRHPKNYLZ-GOSISDBHSA-N 415.493 3.475 0 40 HGAB O=C(N=c1cc[nH]c2ccc(Oc3ccccc3)cc12)N1CCO[C@@]2(CCOC2)C1 578177639 ZYTPLZMEYVWHKS-QHCPKHFHSA-N 405.454 3.472 0 40 HGAB CC[C@H]1C[C@@H](CC(=O)N(C)CCCN(C)C(=O)C[C@@H]2CCO[C@H](CC)C2)CCO1 582260669 IILORUAWGHEGBN-FXELSEDVSA-N 410.599 3.484 0 40 HGAB C=CC(=O)N1CCC(C(=O)N[C@@H]2CCN(c3ccccc3F)C2)(c2ccccc2)CC1 1641945784 DZFGYPFEDRDOCM-HXUWFJFHSA-N 421.516 3.267 0 40 HGAB Cc1cnc(OC[C@@]23CCC[C@H]2CN(C(=O)c2cncc(Br)c2)C3)nc1 1888879319 NVUNGHHIWBQJTJ-KXBFYZLASA-N 417.307 3.264 0 40 HGAB O=S(=O)(N1CCCC1)N1CCC(c2ccc3cc(-c4ccncc4)cnc3n2)CC1 1891705570 KCGHTIFDBFUCCZ-UHFFFAOYSA-N 423.542 3.212 0 40 HGAB COc1ccc(N(CC(=O)Nc2cccc3ccccc23)S(C)(=O)=O)cc1OC 824350 ZBAQZCPHCSLGFJ-UHFFFAOYSA-N 414.483 3.262 0 40 HGAB O=C(Oc1c(I)cc(Cl)c2cccnc12)N1CCOCC1 863600 RQDHGLKPELJBCW-UHFFFAOYSA-N 418.618 3.324 0 40 HGAB Cc1cc(OCC(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)c2c3c(c(=O)oc2c1)CCC3 2110041 KDUJSSHYNJDDIY-VOIUYBSRSA-N 411.498 3.123 0 40 HGAB biogenic O=C1N[C@H](CCc2ccccc2)C(=O)N1CCOc1cccc(Br)c1 2644912 UFTUNHLSNIEUIW-QGZVFWFLSA-N 403.276 3.381 0 40 HGAB O=C(NCc1ccc(Cl)cc1)c1ccc(Cn2nnc3ccsc3c2=O)cc1 2959764 UKDCLNAVANDACB-UHFFFAOYSA-N 410.886 3.485 0 40 HGAB O=C(N=c1[nH]c2ccccc2[nH]1)C1CCC(Cn2cnc3ccccc3c2=O)CC1 5207785 JKRPHVXJJTUAMB-UHFFFAOYSA-N 401.470 3.140 0 40 HGAB CC(=O)c1ccc(S(=O)(=O)N(C)CCOc2cccc(Br)c2)cc1 6230814 OLDPNYJQEJAOKI-UHFFFAOYSA-N 412.305 3.351 0 40 HGAB CC(C)CCNC(=O)C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 6325575 PXTFMXSIMQJPGT-UHFFFAOYSA-N 417.369 3.012 0 40 HGAB COc1ccc(N(CC(=O)Nc2ccc(C(F)(F)F)cc2)S(C)(=O)=O)cc1 6441537 RIPJFLGDPXWYOA-UHFFFAOYSA-N 402.394 3.119 0 40 HGAB O=C(CN1C(=O)N[C@](Cc2ccccc2)(c2ccccc2)C1=O)NC1CCCCC1 6465934 USMXZPWPHQNHQK-XMMPIXPASA-N 405.498 3.125 0 40 HGAB CCCNC(=O)[C@H]1Sc2nnc(-c3ccccc3)n2N[C@@H]1c1ccc(OC)cc1 6721068 MCCDMPJJWFASHC-MSOLQXFVSA-N 409.515 3.239 0 40 HGAB CCCOc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3cccc(C)c3)CC2=O)cc1 6880967 VANKRZSVQJQQAL-QGZVFWFLSA-N 410.470 3.319 0 40 HGAB CN(CCCNC(=O)CSc1nnnn1-c1cccc(Cl)c1)c1ccccc1 7246519 TXRQULSPBDNJLS-UHFFFAOYSA-N 416.938 3.051 0 40 HGAB C[C@@H]1c2ccsc2CCN1C(=O)C1CCN(S(=O)(=O)c2cccs2)CC1 7829620 RUFYRMQAGZODQB-CYBMUJFWSA-N 410.586 3.356 0 40 HGAB COc1cc(/C=C/C(=O)N(C)Cc2cnn(-c3ccccc3)c2)cc2c1OCCO2 7843440 HGAFIZCBJMVQDD-CMDGGOBGSA-N 405.454 3.324 0 40 HGAB COc1ccc(NC(=O)CN(C)C(=O)c2cc(C3CC3)nn2-c2ccccc2)cc1 7990922 LLBZCUIYUDLKKT-UHFFFAOYSA-N 404.470 3.469 0 40 HGAB O=C1Cc2cc(-c3csc(NC(=O)[C@@H]4CC(=O)N(C5CCCC5)C4)n3)ccc2N1 8073189 JKDQZYOWLGJEFR-CQSZACIVSA-N 410.499 3.034 0 40 HGAB C[C@@H](C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)N1CCCc2ccccc21 8119088 HYEMZCDEFNLJKZ-AWEZNQCLSA-N 421.950 3.370 0 40 HGAB COc1cc(/C=C/C(=O)N(C)[C@@H](C)c2ccc(-n3cncn3)cc2)cc2c1OCCO2 8349797 BPWYCXORGFQRAU-UFNQUYMESA-N 420.469 3.280 0 40 HGAB COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc2c(c1)CN(C(=O)C1CC1)CC2 8977418 QHECMZKVRLLIHX-UHFFFAOYSA-N 420.918 3.444 0 40 HGAB O=C(CCC(=O)c1cccs1)Nc1ccc(S(=O)(=O)NCc2ccco2)cc1 9223741 HHPKIFJPILBOFW-UHFFFAOYSA-N 418.496 3.421 0 40 HGAB COc1ccc(C(=O)CSc2nnc([C@@H](C)NC(=O)c3ccccc3)n2C)cc1 9327520 BOZJSFHUZLSTQS-CQSZACIVSA-N 410.499 3.290 0 40 HGAB O=C(COc1ccc(Cl)cc1)Nc1c2c(nn1-c1ccc(F)cc1)C[S@@](=O)C2 9413453 VTEWQKHSKRZAFJ-MUUNZHRXSA-N 419.865 3.445 0 40 HGAB CCn1cc(C(=O)Nc2cc(OC)ccc2OC)c2nn(-c3ccccc3)c(=O)c-2c1 9661465 QOPOXKKWCMSUKB-UHFFFAOYSA-N 418.453 3.428 0 40 HGAB CS(=O)(=O)c1cccc(NCC(=O)N[C@@H](c2ccccc2)c2cccs2)c1 10184803 UFIFVBQUWNEBAZ-FQEVSTJZSA-N 400.525 3.469 0 40 HGAB COc1ccccc1NC(=O)CSc1ncnc2c1nnn2Cc1ccccc1F 11758524 IDMZEOOUFXINDC-UHFFFAOYSA-N 424.461 3.148 0 40 HGAB COc1nc2cc(C)ccc2cc1CN1CCc2c(nc(-c3ccccn3)[nH]c2=O)C1 12120762 VIKFUCCMLDJXDP-UHFFFAOYSA-N 413.481 3.255 0 40 HGAB COc1ccc(C2(NS(=O)(=O)c3cc(N4CCCC4=O)ccc3C)CC2)cc1 12238801 CTHLVLUYWPIZBC-UHFFFAOYSA-N 400.500 3.098 0 40 HGAB C[C@H]1Oc2ccc(NC(=O)Cc3csc(NC(=O)c4ccccc4)n3)cc2NC1=O 12935967 RMWQQEIPCUFUBO-GFCCVEGCSA-N 422.466 3.296 0 40 HGAB O=C(/C=C/c1ccc(F)c(Cl)c1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 12998364 XPGVTOHMARIMTB-VQHVLOKHSA-N 422.909 3.167 0 40 HGAB O=C(COc1ccc2ccccc2c1)N(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 13018440 APBRDMBKTXKRAE-OAQYLSRUSA-N 409.507 3.435 0 40 HGAB O=C(CC[C@@H]1N=C(O)N(CCc2c[nH]c3ccc(F)cc23)C1=O)Nc1ccccc1 13682243 NAFUVTNZVQLBES-IBGZPJMESA-N 408.433 3.393 0 40 HGAB CC(=O)c1ccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 14828751 YGALZAFJBPMRPY-INIZCTEOSA-N 416.499 3.080 0 40 HGAB Cc1ccc(C(=O)OCc2csc(-c3ccc(F)cc3)n2)cc1S(N)(=O)=O 14846349 PPFDQDUCAWZFSA-UHFFFAOYSA-N 406.460 3.262 0 40 HGAB COc1ccc([C@H](CC(=O)N(C)Cc2cnn(-c3ccccc3)c2)NC(C)=O)cc1 16781150 OVZBGINOXKMZFX-QFIPXVFZSA-N 406.486 3.107 0 40 HGAB CC(=O)Nc1ccc(CN2CCC[C@H](c3ncc(Cl)cc3S(C)(=O)=O)C2)cc1 19022469 BXCCODHGADINKK-INIZCTEOSA-N 421.950 3.477 0 40 HGAB O=C(c1ccccc1)[C@H]([C@@H](c1ccc(Cl)cc1)N1CCOCC1)N1CCOCC1 19365986 LQPJSIJIFALWEP-YADHBBJMSA-N 414.933 3.297 0 40 HGAB COc1ccc2[nH]cc(C(=O)CN3CCC(O)(Cn4ccnc4C(C)C)CC3)c2c1 19454449 CEADCOXIRPYMAZ-UHFFFAOYSA-N 410.518 3.206 0 40 HGAB CCOc1ccc(O[C@@H](C)C(=O)NCc2ccc(-c3ccnc4ncnn34)cc2)cc1 19533610 IKINAMKANBBSGF-INIZCTEOSA-N 417.469 3.274 0 40 HGAB COc1cccc(CN2CCC[C@H](c3cc(C(F)F)n4ncnc4n3)C2)c1OC 19567786 CKVUKASEEAUBQC-ZDUSSCGKSA-N 403.433 3.459 0 40 HGAB Cc1nc2ncnn2c(C)c1CCC(=O)N1CCC[C@H](COc2ccccc2F)C1 19578526 GZHZSBXVLKSJTN-KRWDZBQOSA-N 411.481 3.130 0 40 HGAB COCC(=O)N1CCC(Cc2ccc(-c3ccncc3)cc2)(C(=O)NC(C)C)CC1 19700135 IBDGLCBPLYVTPG-UHFFFAOYSA-N 409.530 3.071 0 40 HGAB Cc1cc(C)nc(N2CCC(CC(=O)N[C@@H](C)CCN3CCCCCC3)CC2)n1 19748260 SLMSQILOXJVNNP-SFHVURJKSA-N 401.599 3.471 0 40 HGAB COc1cccc(CNC(=O)c2cnc([C@@H]3CCN(C(=O)CC(C)C)C3)nc2C)c1 19757878 KJLKDNMBIHSUJM-GOSISDBHSA-N 410.518 3.086 0 40 HGAB COc1cc(NC(=O)COc2cc(C)nc(N3CCC[C@H](C)C3)n2)cc(OC)c1 21360769 PWJHAUWXLPFXKQ-AWEZNQCLSA-N 400.479 3.056 0 40 HGAB Cc1cc(CN2CCN(S(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)CC2)on1 22245831 LBSRGYXSYABURM-UHFFFAOYSA-N 423.844 3.162 0 40 HGAB COc1ccc(CN2CCN(C(=O)[C@H](NC(=O)C3CCCCC3)C(C)C)CC2)cc1 24957815 OZELCQAIHDEVPA-JOCHJYFZSA-N 415.578 3.061 0 40 HGAB Cc1c(C(=O)Nc2nc(CN3C[C@H](C)O[C@@H](C)C3)cs2)[nH]c2c1C(=O)CCC2 25058915 DDYLCSVCFCBLQZ-RYUDHWBXSA-N 402.520 3.160 0 40 HGAB CCOc1ccc([C@H]2CCCN2C(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)cc1 27155253 MFYVRBHJFXDGJK-JTJHWIPRSA-N 417.575 3.475 0 40 HGAB C[C@H]1CN(C(=O)c2ccccc2NC(=O)c2cnn(-c3ccccc3)c2)C[C@H](C)O1 27986511 KJDMDRREJJVEHE-IRXDYDNUSA-N 404.470 3.374 0 40 HGAB CNS(=O)(=O)Cc1ccccc1CNC(=O)N[C@@H](CC(C)C)c1ccccc1 29317891 OTOOZUIKRFISAG-FQEVSTJZSA-N 403.548 3.322 0 40 HGAB Cc1csc(=O)n1CCCC(=O)Nc1ccc2nc(N3CCOCC3)sc2c1 29796488 CMMHNHXGYSBEBP-UHFFFAOYSA-N 418.544 3.083 0 40 HGAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3)CC2)cc1C 30325092 ZMCOEZBMGWESDV-UHFFFAOYSA-N 402.516 3.433 0 40 HGAB COc1ccc(S(=O)(=O)N[C@H](C)c2ccc(F)cc2)cc1C(=O)N1CCCCC1 30758764 ZRHSFMQJJKTTGK-OAHLLOKOSA-N 420.506 3.500 0 40 HGAB O=C1OCCN1c1cccc(NS(=O)(=O)c2ccccc2OC(F)(F)F)c1 31719932 KIUGWGWMQVVWRB-UHFFFAOYSA-N 402.350 3.343 0 40 HGAB O=C(Cn1nc(Br)nc1Br)c1ccc(Br)cc1 32683829 WZUKLBCGEQKSTQ-UHFFFAOYSA-N 423.890 3.449 0 40 HGAB Cc1noc(C)c1S(=O)(=O)N[C@H](C)C(=O)N[C@@H](C)c1ccc(CC(C)C)cc1 32768459 OQIWYFWAFMNOKT-DZGCQCFKSA-N 407.536 3.034 0 40 HGAB O=C(NC1CCN(C(=O)NCCCN2CCc3ccccc32)CC1)c1ccccc1 32795657 JWGGBSDOSAMHCM-UHFFFAOYSA-N 406.530 3.043 0 40 HGAB O=C(c1ccc(Cl)c(Cl)c1)N1CCN(S(=O)(=O)c2cccs2)CC1 33782922 FHMZGWIOSAJWMA-UHFFFAOYSA-N 405.328 3.202 0 40 HGAB C/C=C/C1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)[C@H](N)[C@@H]2SC1 34193992 KGHADALWBFAJHM-PGMBNQKWSA-N 406.507 3.392 0 40 HGAB COC(=O)c1ccc(C(=O)Nc2ccc(N3CCC(C)CC3)c(C(N)=O)c2)s1 35314753 QJYYLJVJMSOVKZ-UHFFFAOYSA-N 401.488 3.122 0 40 HGAB CCN(CC)S(=O)(=O)c1cc(C(=O)N2c3ccccc3C[C@H]2C)ccc1OC 36697959 XBIRKXOCUJMBSR-OAHLLOKOSA-N 402.516 3.317 0 40 HGAB CN1C(=O)/C(=C/c2cn(CCOc3ccc4c(c3)OCO4)c3ccccc23)NC1=S 39556666 XFQRIBYIIIAQLF-YVLHZVERSA-N 421.478 3.136 0 40 HGAB Cc1ccc(-n2nc(C)c(CC(=O)NCc3nnc4ccccn34)c2C)cc1Cl 40143905 FQPWKBYDSGCCDY-UHFFFAOYSA-N 408.893 3.353 0 40 HGAB O=C(CN1CCN(c2ccccc2Cl)CC1)NC[C@@H]1CCN(c2ccccc2)C1 51184116 CKOZYXVAPRYDGT-IBGZPJMESA-N 412.965 3.105 0 40 HGAB CCC(C)(C)n1nnnc1[C@@H](c1cc2cc(C)ccc2[nH]c1=O)N1CCSCC1 57589436 FGBOSZRPDDYFDF-GOSISDBHSA-N 412.563 3.106 0 40 HGAB CC(C)[C@H](c1nnnn1C[C@@H]1CCCO1)N1CCN(c2cccc(Cl)c2)CC1 57670355 PKSCXRDJJQPXCK-RBUKOAKNSA-N 404.946 3.025 0 40 HGAB O=C(Nc1ccc(Cn2ccccc2=O)cc1)c1cnnn1-c1ccccc1Cl 58014467 SOJBCPWHDUBAAF-UHFFFAOYSA-N 405.845 3.383 0 40 HGAB Cc1ccc(NC(=O)NC[C@@H](C(C)C)N2CCc3ccccc3C2)cc1-n1cnnn1 58134099 DCCIOTALCKLVBY-QFIPXVFZSA-N 419.533 3.175 0 40 HGAB CC(=O)Nc1cc(-c2ccccc2)nn(CC(=O)Nc2cccc(Cl)c2C)c1=O 64604835 YAHIXFQOIDGILG-UHFFFAOYSA-N 410.861 3.469 0 40 HGAB Cc1sc(=O)n(CC(=O)NC[C@@H](O)c2ccc(F)c(F)c2)c1-c1ccc(F)cc1 69489332 NPUXNLBBHCRRAW-QGZVFWFLSA-N 422.428 3.152 0 40 HGAB COC(=O)CC1(NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)CCCCC1 78974618 VGKSKQDPOYCUTQ-UHFFFAOYSA-N 424.453 3.072 0 40 HGAB C[C@H](c1nc(-c2nc[nH]n2)no1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 84667731 INIHMUJMUHDMQV-QGZVFWFLSA-N 415.501 3.323 0 40 HGAB O=C(NCCc1ccc[nH]1)c1ccccc1SCc1nnnn1-c1ccccc1 95451376 CDWUGYKMGNOOJH-UHFFFAOYSA-N 404.499 3.255 0 40 HGAB CN(Cc1ccccc1)[C@@H]1COC2(CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1 96221009 BXNCVVLFISVFAA-FQEVSTJZSA-N 418.534 3.270 0 40 HGAB CCCCOC(=O)[C@H]1[C@@H]2C=C[C@]3(CN(c4ccccc4Br)C(=O)[C@H]13)O2 101024597 MHDKNIXLWMBFDU-IUVQAAGXSA-N 406.276 3.079 0 40 HGAB CCOc1c(/C=C2/SC(=O)N(CC(=O)N3CCCCC3)C2=O)cccc1OC 205807782 QRYKBRDOYRBRON-FOWTUZBSSA-N 404.488 3.143 0 40 HGAB CC[C@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)COc1cccc(Cl)c1 223414180 HJXBKAMLUMJCCB-LJQANCHMSA-N 404.894 3.281 0 40 HGAB CCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)COc1ccc(Cl)cc1 223965502 XSHCXZOGTKSDJL-HNNXBMFYSA-N 404.894 3.281 0 40 HGAB CCOC(=O)CN(c1c(C)cc(C)cc1C)S(=O)(=O)c1ccc(OC)c(OC)c1 224810127 AXTTYVFPZDCCGQ-UHFFFAOYSA-N 421.515 3.387 0 40 HGAB COc1ccc([C@H](CC(=O)Nc2cccc(C(F)(F)F)c2)NS(C)(=O)=O)cc1 225956047 HFSSHSUQAHZSSL-INIZCTEOSA-N 416.421 3.333 0 40 HGAB COc1cc(Cl)nc(NC(=S)NCC2(c3ccc(F)cc3)CCOCC2)n1 226002264 FIIUHGVAOUVPFY-UHFFFAOYSA-N 410.902 3.313 0 40 HGAB Cc1nc(C)c(C(=O)N2CC[C@H](Oc3ccc(Cl)cc3)[C@@H](CC(N)=O)C2)s1 257274084 NJLBROJZGBCFGO-BBRMVZONSA-N 407.923 3.198 0 40 HGAB COC(=O)CN1C(=O)N/C(=C/c2ccc(OCc3cccc4ccccc34)cc2)C1=O 408548645 KJTRPPNGZLSMPP-FYJGNVAPSA-N 416.433 3.485 0 40 HGAB C[C@@H](Oc1ccc(S(=O)(=O)N2CCCCCC2)cc1)C(=O)NC1CCCCC1 408612523 SAIJITZOUOPTMF-QGZVFWFLSA-N 408.564 3.468 0 40 HGAB COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC[C@H](C(=O)NC2CCCC2)C1 408700509 HCORCTJHIBYBAX-KRWDZBQOSA-N 408.564 3.278 0 40 HGAB COc1cccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccccc3)[C@@H]2c2ccc(C)cc2)c1 409060731 UNYMVJHZNZAQAA-LIFFMEMSSA-O 414.485 3.020 0 40 HGAB O=C(CNS(=O)(=O)c1cc(Cl)ccc1Cl)NCc1ccccc1Cl 409142371 CPSGWFWKONCIEW-UHFFFAOYSA-N 407.706 3.242 0 40 HGAB O=C(N[C@@H](c1ccccc1)c1nc2ccccc2[nH]1)C1(n2cnnn2)CCCCC1 526052413 DTFWFIDNWHLDRV-IBGZPJMESA-N 401.474 3.115 0 40 HGAB COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N2C[C@H](OC)C[C@@H]2C(=O)O)cc1 540786638 UJCKYIZVXWITNU-DYESRHJHSA-N 422.481 3.477 0 40 HGAB O=S(=O)(NCc1nnc2n1C[C@@H](C(F)(F)F)CC2)c1cccc2ccccc12 575616505 LKWFLRDXDXJRGR-ZDUSSCGKSA-N 410.421 3.035 0 40 HGAB Cc1ccc(CC(=O)N2CCC3(CC2)Cn2c(-c4cccnc4)cnc2CO3)cc1 585106384 SKSSRARMNGNYHU-UHFFFAOYSA-N 402.498 3.388 0 40 HGAB Cc1ccc(NC(=O)CSc2nnc(CCNC(=O)c3ccc(C)cc3)n2C)cc1 634003 WAJDAMOHELUWOW-UHFFFAOYSA-N 423.542 3.135 0 40 HGAB CCOC(=O)C1=C(c2ccccc2)Nc2ncnn2[C@H]1c1ccc(OC)c(OC)c1 803075 ZYGSFXBOLHVHGZ-FQEVSTJZSA-N 406.442 3.285 0 40 HGAB C[C@H]1Oc2ccccc2N(CC(=O)N(Cc2ccccc2)Cc2ccccn2)C1=O 1361856 HKCIEYIYZFKDLL-GOSISDBHSA-N 401.466 3.425 0 40 HGAB COCCNC(=O)c1c(NC(=O)COc2ccc(F)cc2)sc2c1CCCC2 2300083 INJDGJJTVBUTPB-UHFFFAOYSA-N 406.479 3.160 0 40 HGAB O=C(Cc1c(F)cccc1Cl)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 2623060 PTJSUKPTPJULHX-UHFFFAOYSA-N 420.853 3.251 0 40 HGAB CCOc1ccccc1NC(=O)COC(=O)C[C@@H](NC(N)=O)c1ccc(Cl)cc1 2661365 ZNFJFOFNHYDWHC-MRXNPFEDSA-N 419.865 3.020 0 40 HGAB O=C(Cn1c(=S)[nH]c2ccccc2c1=O)N1CCN(c2cccc(Cl)c2)CC1 3043799 LAWRBBHMCSTKDD-UHFFFAOYSA-N 414.918 3.061 0 40 HGAB C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)c1ccc(I)cc1 3313049 FJSZJRWNVOKAFM-GFCCVEGCSA-N 421.234 3.426 0 40 HGAB CCn1cc(C(=O)OCC(=O)N[C@@H](C)CCc2ccccc2)c(=O)c2ccc(C)nc21 3330985 FMHMCSFXNRGVCH-INIZCTEOSA-N 421.497 3.019 0 40 HGAB CC(=O)Nc1ccc(SCC(=O)N(C)CC(=O)Nc2ccccc2Cl)cc1 3364412 SCZUCMOZMISHSV-UHFFFAOYSA-N 405.907 3.488 0 40 HGAB CCn1c(SCC(=O)NC(=O)Nc2ccc(C)cc2C)nnc1-c1ccncc1 3501592 GRTXFPHHCREVNM-UHFFFAOYSA-N 410.503 3.417 0 40 HGAB Cc1cc(C(=O)COC(=O)c2cccn2C)c(C)n1C[C@@H]1COc2ccccc2O1 4564369 YAXKPFPFLOQLOR-QGZVFWFLSA-N 408.454 3.323 0 40 HGAB O=C(Cn1c(=O)n(CCc2ccccc2)c(=O)c2ccccc21)Nc1cccc(F)c1 5000044 WDYAXCDVIOEHQI-UHFFFAOYSA-N 417.440 3.184 0 40 HGAB CCOc1cc(/C=C2/N=C(c3ccco3)OC2=O)cc(Cl)c1OCC(=O)OC 5000770 FJZVRRQZHDKYSP-MDWZMJQESA-N 405.790 3.228 0 40 HGAB CC(C)n1nc(C(=O)Nc2sc3c(c2C(N)=O)CCCC3)c2ccccc2c1=O 5262149 NUMBXZPKWOGICZ-UHFFFAOYSA-N 410.499 3.269 0 40 HGAB COc1cc(NC(=O)Cc2c(C)c3ccc(OC)c(OC)c3oc2=O)cc(OC)c1 6660732 GCBAQXQNZKMNAU-UHFFFAOYSA-N 413.426 3.317 0 40 HGAB CCc1nnc2n1N[C@H](c1ccc(F)cc1)[C@@H](C(=O)Nc1ccc(OC)cc1)S2 6812114 QJBYIZVYJKBILX-MSOLQXFVSA-N 413.478 3.386 0 40 HGAB CCN(CC)S(=O)(=O)c1cc(C(=O)NCc2cccc(OC)c2)ccc1Cl 7007566 SAZONFVVGRHXLR-UHFFFAOYSA-N 410.923 3.309 0 40 HGAB COc1ccc(OC)c([C@H](C)NC(=O)CSc2nc(-c3ccccc3)cn2N)c1 7154387 SGOHVYVZWNHKFR-AWEZNQCLSA-N 412.515 3.251 0 40 HGAB CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)c1csc2c1CCCC2 7737947 HIVYWZTYCGIHSV-UHFFFAOYSA-N 400.500 3.499 0 40 HGAB COc1ccc(C(=O)OCC(=O)N2CCc3ccccc3C2)cc1Br 7760457 IFQQAVZTMQKZEK-UHFFFAOYSA-N 404.260 3.199 0 40 HGAB Cc1cc(OCC(=O)OCC(=O)Nc2ccc3c(c2)OCCCO3)ccc1Cl 8140814 GLRGLSNGRQENLQ-UHFFFAOYSA-N 405.834 3.370 0 40 HGAB C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NCc1ccc(Cl)cc1 8243149 AFLMWYKTGGFXTJ-CQSZACIVSA-N 402.903 3.476 0 40 HGAB CSC[C@H](C(=O)Nc1cc(Cl)ccc1C(=O)O)N1C(=O)c2ccccc2C1=O 9495172 LYICBFPMRXKLIL-OAHLLOKOSA-N 418.858 3.005 0 40 HGAB O=C(C[C@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1)NCCc1ccccc1 11612923 VWVVLGFHLCYTLH-LJQANCHMSA-N 404.507 3.118 0 40 HGAB C[C@@H](Sc1ccccn1)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 11709869 CJJQXYWVJKIPEG-OAHLLOKOSA-N 405.545 3.376 0 40 HGAB COc1cccc(CC(=O)N2CCC(Cn3nc(-c4cccs4)ccc3=O)CC2)c1 12144849 WYJMONNAABKDQE-UHFFFAOYSA-N 423.538 3.462 0 40 HGAB Cc1nc2cc(C(=O)N3Cc4ccccc4C[C@H]3C(N)=O)ccc2n1-c1ccccc1 12540246 ORNRYRZMLHNZEB-QHCPKHFHSA-N 410.477 3.386 0 40 HGAB CN(CC(=O)Nc1ccc(S(C)(=O)=O)cc1)Cc1ccccc1N1CCCCC1 12561988 GBFBKYPJYXSDHN-UHFFFAOYSA-N 415.559 3.151 0 40 HGAB Cc1ccc(C)c(S(=O)(=O)N2CCN(Cc3cc(-c4ccccc4)no3)CC2)c1 12780734 OCCSFUYZWTWEFE-UHFFFAOYSA-N 411.527 3.465 0 40 HGAB COCCCNC(=O)c1cccc(S(=O)(=O)N2C[C@@]3(C)C[C@@H]2CC(C)(C)C3)c1 12982550 FMEMDTLASPXBPG-UWJYYQICSA-N 408.564 3.042 0 40 HGAB CC[C@H](C(=O)Nc1cc(C(=O)OC)ccc1Cl)N(c1ccccc1)S(C)(=O)=O 13711602 RUCLYIHCOWGELR-QGZVFWFLSA-N 424.906 3.310 0 40 HGAB C[C@H](NC(=O)CCn1cnc2sccc2c1=O)c1ccccc1Br 14061372 GEDXHFMBUDQBBU-NSHDSACASA-N 406.305 3.488 0 40 HGAB O=C(CSc1nnnn1C1CC1)Nc1ncc(Cc2ccccc2Cl)s1 14245646 BEMLMINAMGWCBI-UHFFFAOYSA-N 406.924 3.440 0 40 HGAB CC(=O)N1CCc2cc(C(=O)[C@H](C)OC(=O)c3ccc4c(c3)NC(=O)CS4)ccc21 14247540 DODBTPOJIJNOPY-LBPRGKRZSA-N 424.478 3.068 0 40 HGAB COc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)NC1CCCCCCC1 16187737 RPFPBRRTBGHFJT-UHFFFAOYSA-N 402.944 3.198 0 40 HGAB COc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(C)CC3)c(Cl)c2)cc1 17091727 JJOBEMXFMPHFHT-UHFFFAOYSA-N 418.950 3.227 0 40 HGAB Cc1nc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cc(C(C)C)n[nH]2)cc(=O)[nH]1 19285141 SDQVYCIQZXOYCC-GOSISDBHSA-N 404.474 3.120 0 40 HGAB CC(C)CC(=O)N1CCO[C@@](Cc2cccc(-c3cccnc3)c2)(C(=O)NC2CC2)C1 19446530 COOBJWULGMRHIB-RUZDIDTESA-N 421.541 3.213 0 40 HGAB COc1ccc([C@H](c2nnnn2C(C)C)N2CCN(c3ccccc3OC)CC2)cc1 19454665 AWOIRIJKVMKMCX-JOCHJYFZSA-N 422.533 3.183 0 40 HGAB CNC(=O)[C@@]1(Cc2cccc(-c3cccnc3)c2)CN(C(=O)C2CCCCC2)CCO1 19591796 LPEQEXOVMFMHBT-RUZDIDTESA-N 421.541 3.215 0 40 HGAB CN(C)c1ncc(-c2cccc(C(N)=O)c2)c(C2CCN(C(=O)C3CCCC3)CC2)n1 19695165 AELVGALNTBHVSU-UHFFFAOYSA-N 421.545 3.205 0 40 HGAB COc1cccc(-c2cc(C(=O)N3CCCN(Cc4ncccc4C)CC3)on2)c1 19713982 XVKNLUVNIRNCMI-UHFFFAOYSA-N 406.486 3.402 0 40 HGAB CCn1c(C)nc2cc(NC(=O)[C@@H](C)CN3CCN(c4ccccn4)CC3)ccc21 19717663 HDZSYJZYSNUAJD-KRWDZBQOSA-N 406.534 3.156 0 40 HGAB COc1ccc(OC)c(-c2n[nH]c(C(=O)N3CC[C@@](O)(c4ccc(C)cc4)C3)c2C)c1 19718136 HVNUBZLJNZPVIH-DEOSSOPVSA-N 421.497 3.444 0 40 HGAB CN(C)C(=O)c1ccc(C2CCN(C(=O)c3cc4cc(F)ccc4[nH]3)CC2)nc1N 19765784 GCCBTBCEAQQQAR-UHFFFAOYSA-N 409.465 3.006 0 40 HGAB CCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(F)c(F)c2)c(Cl)c1 20022974 XGCJICAFSHVPIW-UHFFFAOYSA-N 418.849 3.324 0 40 HGAB Cc1cc(C)n(CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)c2cccs2)n1 23246363 LPSOVEPJUFTZKC-LJQANCHMSA-N 410.543 3.109 0 40 HGAB COc1ccc(C)cc1NC(=O)C1CCN(S(=O)(=O)Cc2ccc(C)cc2)CC1 24608982 SHEBDRATVGQKGG-UHFFFAOYSA-N 416.543 3.493 0 40 HGAB CC(=O)N1C[C@H](C(=O)OCc2nc(-c3ccc(Cl)cc3)no2)Oc2ccccc21 25076547 ATDNSTXJMKKFPP-QGZVFWFLSA-N 413.817 3.247 0 40 HGAB O=C(c1cc2ccccc2o1)N1CCN(Cc2cc(=O)oc3cc(O)ccc23)CC1 26728761 SGLDLTFOMRYCGR-UHFFFAOYSA-N 404.422 3.203 0 40 HGAB CN(C)S(=O)(=O)c1ccc(OCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1 28207260 CBDGIACVFXAZGY-UHFFFAOYSA-N 403.287 3.261 0 40 HGAB CCOc1ccc(NC(=O)COc2ccc(S(=O)(=O)N(C)C)cc2Cl)cc1 28207967 KLIIXEVHWRRWPK-UHFFFAOYSA-N 412.895 3.007 0 40 HGAB CC(=O)c1ccc(NC(=O)C[C@@H]2SC(c3cc4ccccc4oc3=O)=NC2=O)cc1 32514385 FPZOTNYEBOPMNO-SFHVURJKSA-N 420.446 3.413 0 40 HGAB CCN(CC)S(=O)(=O)c1cc(C(=O)N(C)Cc2ccc(OC)cc2)ccc1OC 32750454 QYWZTPJDBILQGD-UHFFFAOYSA-N 420.531 3.007 0 40 HGAB COc1ccc([C@@H]2CCCN2C(=O)CN2C(=O)CCOc3ccccc32)cc1OC 32901623 VWTHSYUPMJLSSN-KRWDZBQOSA-N 410.470 3.183 0 40 HGAB NS(=O)(=O)c1ccc(Br)c(C(=O)Nc2cccc3c2CCCC3)c1 32906543 ASJCCQSAERODFP-UHFFFAOYSA-N 409.305 3.228 0 40 HGAB COC(=O)c1c(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)sc2c1CCN(C)C2 33872391 POZDBQXYFOKUEY-VOTSOKGWSA-N 401.444 3.083 0 40 HGAB Cc1nn(-c2ccccc2)c(C)c1CNC(=O)C[C@H](NC(N)=O)c1ccccc1F 36394960 NCGUTTCJNARWKO-FQEVSTJZSA-N 409.465 3.044 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(N(C)C)c(NC(=O)COC2CCCCC2)c1 40140727 AKQXWQQNOWGNPY-UHFFFAOYSA-N 411.568 3.071 0 40 HGAB CC[C@H](C)[C@H](NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccccc1Cl)C(=O)OC 43735312 WAIWNQSLJFUOKC-ULFGMLNVSA-N 404.898 3.308 0 40 HGAB CCOC(=O)[C@H]1CC(=O)N(c2cc(C)c(I)c(CC)c2)C1 45889676 ALUXHTMKILUPOM-LBPRGKRZSA-N 401.244 3.078 0 40 HGAB Cc1ccc(N2CN(CC(=O)Nc3cccc(C)c3)S(=O)(=O)c3cccnc32)cc1 49411437 TZTWYXRSKDVSAX-UHFFFAOYSA-N 422.510 3.437 0 40 HGAB CCN(Cc1ccccc1)C(=O)CSc1nc2ccsc2c(=O)n1CCOC 57425737 QEPWINBSYKPQQX-UHFFFAOYSA-N 417.556 3.245 0 40 HGAB COc1ccc(Cl)cc1S(=O)(=O)c1cnc(N(C)C2CCCCC2)nc1N 65134386 YDWVMDLNVDGCDR-UHFFFAOYSA-N 410.927 3.323 0 40 HGAB C[C@]1(NC(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)CCS(=O)(=O)C1 79110554 TUZJEZMIFZBXOE-INIZCTEOSA-N 405.442 3.004 0 40 HGAB O=C(NCc1ccccc1)c1cccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c1 89836521 YFJQLHVOSNRNFP-UHFFFAOYSA-N 410.451 3.146 0 40 HGAB O=C(NS(=O)(=O)c1c(Cl)nc2ccccn12)c1cc(F)c(Cl)cc1F 95979085 YCPWJUHRPKOVLV-UHFFFAOYSA-N 406.197 3.038 0 40 HGAB Cc1ccc(CN(CCO)C(=O)c2nnn(-c3cccc4cnccc34)c2C)cc1 96009085 VPVVGDIMPGUZCU-UHFFFAOYSA-N 401.470 3.067 0 40 HGAB O=C(Nc1nc2c(s1)CN(C(=O)c1cc(-c3ccccc3)n[nH]1)CC2)C1CCC1 96024326 AEISRVCRJGWEMZ-UHFFFAOYSA-N 407.499 3.470 0 40 HGAB O=C(Nc1cccc(F)c1)[C@H]1CN(C(=O)Cc2ccc(F)cc2)CC12CCOCC2 96078669 FTUYQUBBKKRQTC-HXUWFJFHSA-N 414.452 3.401 0 40 HGAB CC(C)CS(=O)(=O)N1CCC2(CC1)C[C@@H](CC(=O)NC1CC1)c1ccccc1O2 96080003 BRXKUHSKAVBKQK-QGZVFWFLSA-N 420.575 3.042 0 40 HGAB COc1cc([C@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3ON2c2ccccc2)ccc1O 100452247 RSIDXQXEVZMSGK-FKBYEOEOSA-N 416.433 3.452 0 40 HGAB CCCOc1ccc(N2C(=O)C[C@H](N(CCc3ccc(OC)cc3)C(C)=O)C2=O)cc1 100560718 ZPCMPPROKZAVJN-QFIPXVFZSA-N 424.497 3.207 0 40 HGAB O=C(COC(=O)c1ccccc1N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O)c1ccc(F)cc1 101226729 UKKQFLFUYMUOOZ-PBFVBANWSA-N 421.424 3.401 0 40 HGAB COc1ccc(OC)c([C@@H]2C=C(C(=O)O)Nc3c(C(=O)Nc4ccccc4)cnn32)c1 102820720 IQLHNYNTGMQWPP-SFHVURJKSA-N 420.425 3.136 0 40 HGAB CCCCNC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC)cc1 113938459 AFJKZUCSEVPWMP-UHFFFAOYSA-N 410.923 3.460 0 40 HGAB O=C(CCc1ccc(C(F)(F)F)cc1)N1CC[C@@H](S(=O)(=O)Cc2ccco2)C1 206692155 OBRQJJFCSLXURF-QGZVFWFLSA-N 415.433 3.447 0 40 HGAB CNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CSCc1ccc(F)cc1 222863187 OJHUZUUHIHIAPQ-HNNXBMFYSA-N 404.507 3.231 0 40 HGAB CN(Cc1ccccc1F)C(=O)CCc1ccc(S(=O)(=O)NC(C)(C)C)cc1 222867185 SLVSPYTVKQIZNY-UHFFFAOYSA-N 406.523 3.494 0 40 HGAB CCCc1ccc(OCCNC(=O)CN(c2ccc(C)cc2C)S(C)(=O)=O)cc1 223622478 LGPFSARZMQAHHF-UHFFFAOYSA-N 418.559 3.217 0 40 HGAB CC[C@H](C(=O)NCCOc1cccc(C)c1C)N(c1ccccc1)S(C)(=O)=O 223938435 UYGRLTGOCVVEBN-LJQANCHMSA-N 404.532 3.043 0 40 HGAB COC(=O)CN(c1ccc(Br)c(C)c1)S(=O)(=O)c1ccc(C)cc1 224688755 LAYAQZKNVPRGEX-UHFFFAOYSA-N 412.305 3.434 0 40 HGAB CCCSc1nnc(NS(=O)(=O)c2cc(C(=O)OC)ccc2Cl)s1 224870461 UBTLDUZEMRURAP-UHFFFAOYSA-N 407.926 3.281 0 40 HGAB O=C(NC[C@@H]1CCCO1)c1ccccc1NC(=O)C1(c2ccccc2)CCOCC1 225079317 FMGRDCSYZXSCTE-IBGZPJMESA-N 408.498 3.282 0 40 HGAB CC(C)C(=O)Nc1nnc(S(=O)(=O)Nc2ccc3c4c(cccc24)CC3)s1 225201896 VENJKRFLIXGENL-UHFFFAOYSA-N 402.501 3.185 0 40 HGAB COc1ccc(-c2nnc(NS(=O)(=O)c3cc(OC)ccc3OC)s2)cc1 225313023 BOCFWRUOSXUPBJ-UHFFFAOYSA-N 407.473 3.032 0 40 HGAB Cc1cccc(CCCNC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1 225486345 XENSBFBTCZLKHX-UHFFFAOYSA-N 418.534 3.284 0 40 HGAB CC[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1)c1ccccc1 225497137 KWNDJVNLIINBGL-OAQYLSRUSA-N 416.543 3.363 0 40 HGAB CC(C)(C)c1cc2nccc([C@H]3CC[C@H](CNS(=O)(=O)N4CCCC4)CC3)n2n1 257242379 ICEVWFKNTMCVEO-QAQDUYKDSA-N 419.595 3.231 0 40 HGAB COc1ccc(-c2nnc3n2C2(CCN(Cc4ccsc4)CC2)CN(C)C3)cc1 306133226 MFTGEWDFNNVUHE-UHFFFAOYSA-N 409.559 3.452 0 40 HGAB CCC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)NC2CCCC2)cc1Cl 408584107 LQIZTILQDKANRK-CYBMUJFWSA-N 402.944 3.245 0 40 HGAB CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)Nc2ccccc2C(F)(F)F)cc1 408611493 XDTSZMWOKTXDDW-NSHDSACASA-N 402.394 3.020 0 40 HGAB CCOC(=O)COc1ccc(/C=C2/SC(=O)N(CC)C2=O)cc1Br 409105286 MEZPHUHPNZJEHA-MDWZMJQESA-N 414.277 3.447 0 40 HGAB CCCCCCC1=NN(C(=O)C(=O)Nc2ccccc2OC)[C@@](O)(C(F)(F)F)C1 409358157 KGWFWOVOMXEXEC-SFHVURJKSA-N 415.412 3.443 0 40 HGAB COc1ccc(-n2ccc(C(=O)N3CC[C@@](O)(Cc4cccc(Cl)c4)C3)n2)cc1 500146996 HCZNIOXWPNZQHF-JOCHJYFZSA-N 411.889 3.354 0 40 HGAB O=C1COC[C@@H](C[C@@H]2CN(C(=O)CCn3ccc4ccccc43)c3ccccc32)N1 519656799 BYPVFNUCFNOHQS-RTBURBONSA-N 403.482 3.067 0 40 HGAB CC(C)C(=O)N1CCCCCCCNCc2cc(C(=O)N3CCOCC3)ccc21 643584126 ULJNJIAICBAVEU-UHFFFAOYSA-N 401.551 3.202 0 40 HGAB O=C(c1cnccc1C(F)(F)F)N1CCC2(CC1)CN(c1ccccc1)C(=O)CO2 1147266004 OIZOSDPGGTWPGR-UHFFFAOYSA-N 419.403 3.139 0 40 HGAB Cc1c(NC(=O)c2ccc(NCCN3CCOCC3)c(Cl)c2)n[nH]c1C1CC1 1628022099 HAOLHKTZXZENAX-UHFFFAOYSA-N 403.914 3.245 0 40 HGAB O=C(Cc1ccc(F)cc1Br)N1CCC(COc2ncccn2)CC1 1775996306 UGYLIJIDSYSBCW-UHFFFAOYSA-N 408.271 3.238 0 40 HGAB Cc1cn2nc(OCC3CCN(C(=O)c4cc(O)nc5ccccc45)CC3)ccc2n1 1888928878 KFBZSHXTRNAIPM-UHFFFAOYSA-N 417.469 3.223 0 40 HGAB CC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccc4c(c3)oc(=O)n4C)cc12 1320747 PIQZHEVVRIBWSC-UHFFFAOYSA-N 400.412 3.190 0 40 HGAB CCOC(=O)c1csc(N2N=C(/C=C/c3ccco3)C[C@]2(O)C(F)(F)F)n1 1411801 JZHRPROKUYABGS-NFAHFFEMSA-N 401.366 3.443 0 40 HGAB Cc1ccc(C)c(NC(=O)COC(=O)[C@@H](C(C)C)N2C(=O)c3ccccc3C2=O)c1 1910826 NQDHESIDRHLUNE-HXUWFJFHSA-N 408.454 3.106 0 40 HGAB CCOC(=O)c1[nH]c2cc3c(cc2c1NC(=O)CN1CCCC(C)(C)C1)OCO3 2233540 YDWCCWMWHNERIC-UHFFFAOYSA-N 401.463 3.134 0 40 HGAB CCNC(=O)NC(=O)[C@H](C)OC(=O)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 2640389 DDWRJXXSRUGOJI-AWEZNQCLSA-N 424.432 3.069 0 40 HGAB Cc1cc(OC[C@H](O)CNC[C@@H](O)COc2ccc(Cl)c(C)c2)ccc1Cl 2685833 BTNURVOOMFXKRL-HZPDHXFCSA-N 414.329 3.379 0 40 HGAB O=C(CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O)Nc1cc(Cl)ccc1Cl 3343456 FMYLNKVOCIYALG-LJQANCHMSA-N 420.252 3.162 0 40 HGAB COc1ccc2cc(CN(C(=S)NCCCN(C)C)C3CCCC3)c(=O)[nH]c2c1 4133190 DBIFFDCQURQKBE-UHFFFAOYSA-N 416.591 3.108 0 40 HGAB CCc1ccc(NC(=O)CSc2nnc(CC(=O)Nc3ccccc3)n2C)cc1 4715849 ZIJLZWUDZDEDRF-UHFFFAOYSA-N 409.515 3.290 0 40 HGAB COc1ccc([C@H]2CC(=O)N(c3ccc(C)cc3)C3=C2C(=O)OC3)c(OC)c1OC 4944704 PFLRGWUTRFORJP-MRXNPFEDSA-N 409.438 3.352 0 40 HGAB COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(Cl)cc2Cl)cc1 6545505 LOUSOGZWCVZZRN-UHFFFAOYSA-N 403.287 3.261 0 40 HGAB COc1cc2ncc(C(=O)c3ccccc3)c(N3CCC(C(N)=O)CC3)c2cc1OC 6820019 LVWUKKATZNHUCY-UHFFFAOYSA-N 419.481 3.185 0 40 HGAB CNC(=O)NC(=O)[C@H](Nc1cccc(-c2nnc3n2CCCCC3)c1)c1ccccc1 7243817 QKQGGXMUCMDURB-HXUWFJFHSA-N 418.501 3.280 0 40 HGAB Cc1cc(C)cc(Oc2coc3cc(OC[C@@H](O)Cn4cncn4)ccc3c2=O)c1 7616205 AFCBSYNHUYIEMG-INIZCTEOSA-N 407.426 3.234 0 40 HGAB CCCCCN(C(=O)c1ccc(F)cc1F)c1c(N)n(CCCC)c(=O)[nH]c1=O 7723542 IFPLXAIPXFQOIA-UHFFFAOYSA-N 408.449 3.034 0 40 HGAB O=C(O)c1cccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2-n2cccn2)c1 7729034 NTDIQKCPPTUILI-UHFFFAOYSA-N 411.361 3.390 0 40 HGAB CCc1cccc(CC)c1NC(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 7881161 HPZCCYDFEOAQBB-UHFFFAOYSA-N 416.543 3.393 0 40 HGAB CCOc1ccccc1NC(=O)COC(=O)c1cccc(NC(=O)C(F)(F)F)c1 8412441 XVCFNJCBRUSXJD-UHFFFAOYSA-N 410.348 3.382 0 40 HGAB C[C@@H]1Sc2ccc(C(=O)OCC(=O)NCc3ccc(Cl)cc3)cc2NC1=O 8716524 TYYNYVNKSFYHRK-NSHDSACASA-N 404.875 3.246 0 40 HGAB COC(=O)c1ccc(NC(=O)C2CCN(CC(=O)Nc3cc(C)cc(C)c3)CC2)cc1 9067490 YCVSIGDRNDAWBP-UHFFFAOYSA-N 423.513 3.379 0 40 HGAB O=C(OCC(=O)N(Cc1ccccc1)Cc1ccccc1)c1ccccc1NCCO 9162942 AYDZFCJSPSXOCA-UHFFFAOYSA-N 418.493 3.477 0 40 HGAB O=C(CNC(=O)c1ccc(N2CCCC2=O)cc1)Nc1ccc(N2CCCCC2)cc1 9753293 BHNGMCJXNNMTGT-UHFFFAOYSA-N 420.513 3.172 0 40 HGAB COC(=O)C1=C(C)N(c2cccc(Br)c2)C(=S)N[C@@H]1c1cnn(C)c1 11561613 ZTKCQGWIEKPTOR-OAHLLOKOSA-N 421.320 3.065 0 40 HGAB CCCS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)Cc3ccc(C)cc3)cc21 12180642 IPNFCHQWOSOPIK-UHFFFAOYSA-N 422.572 3.429 0 40 HGAB COc1cc(-c2cnc(NCCCn3ccnc3)nc2-c2cccs2)nc(OC)n1 12221379 UDYINIMOLGBTHZ-UHFFFAOYSA-N 423.502 3.378 0 40 HGAB COc1cccc(-n2ccnc2S[C@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c1 12520697 KPIAXMOWCOLTCH-GFCCVEGCSA-N 409.471 3.170 0 40 HGAB Cc1ccccc1NC(=O)[C@H](C)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C 12729531 SGFKSUZEVQXSPB-SJORKVTESA-N 408.502 3.018 0 40 HGAB CCS(=O)(=O)N1CCC(NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)CC1 12906035 RRBQQPUNUQGFFE-FQEVSTJZSA-N 418.584 3.450 0 40 HGAB COc1ccc2nc(NC(=O)[C@@H]3CCCN3S(=O)(=O)c3ccccc3)sc2c1 12978471 AAFSTGAARYNNPW-INIZCTEOSA-N 417.512 3.097 0 40 HGAB Cc1cc(NC(=O)C(=O)NCCc2ccc3c(c2)CCCN3C)c2ccccc2n1 13006843 RRWKZGLXEHLRMN-UHFFFAOYSA-N 402.498 3.223 0 40 HGAB COC(=O)c1ccccc1NC(=S)N(C)Cc1cc2cccc3c2n(c1=O)CC3 13690087 IBXXDAHBGZJSGE-UHFFFAOYSA-N 407.495 3.173 0 40 HGAB COc1cccc(NC(=O)[C@@H](C)OC(=O)[C@@H](C)NC(=O)c2ccccc2Cl)c1 14240937 PRPLHOIDVFLASV-CHWSQXEVSA-N 404.850 3.037 0 40 HGAB C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)N3CCC[C@@H]4CCCC[C@@H]43)cc2)C[C@@H](C)O1 14598128 KTGJVSWFPZDTEU-WIRSXHRWSA-N 420.575 3.279 0 40 HGAB Cc1cccc(NC(=O)CNC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)c1C 15534650 OTVSEEAAVJTXIC-UHFFFAOYSA-N 411.477 3.050 0 40 HGAB CCCCCCNC(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(CCc4c[nH]c5ccccc45)C(=O)[C@@H]13)O2 15894155 VHLZIJNLSWSJQK-FUCAVZNHSA-N 421.541 3.189 0 40 HGAB biogenic Cc1cccc(OCc2nnc(S[C@H](C)C(=O)N3CC(=O)Nc4ccccc43)o2)c1 16765634 BUKKUTSABCQOSG-CQSZACIVSA-N 424.482 3.423 0 40 HGAB CC(=O)NC12C[C@H]3C[C@@H](C1)CC(C(=O)NCc1cccc(NC(=O)C(C)C)c1)(C3)C2 18085791 GYLYLGFFXVYQPE-LHHMWQFHSA-N 411.546 3.372 0 40 HGAB C[C@H](Sc1nnc(S[C@H](C)C(=O)NC(C)(C)C)s1)C(=O)NC(C)(C)C 18519581 GJNQEXQTLOSBFQ-AOOOYVTPSA-N 404.627 3.329 0 40 HGAB O=C(COC(=O)/C=C/c1ccc(Br)o1)Nc1cccc2nsnc12 19077031 FFUOUQSVHRHMOC-FNORWQNLSA-N 408.233 3.242 0 40 HGAB Cn1c(=O)n(C)c2cc(CN3CCC(O)(c4ccc(C(F)(F)F)cc4)CC3)ccc21 19289793 ISTHBZOGLLCQFN-UHFFFAOYSA-N 419.447 3.379 0 40 HGAB CCN(CC)C(=O)[C@@H]1CCCN(C(=O)c2cc(-c3ccncc3)c3cnccc3n2)C1 19526198 LOQWNLCXYSFEEZ-GOSISDBHSA-N 417.513 3.412 0 40 HGAB COc1ccc(CN2CCC[C@H](c3cc(=O)[nH]c(-c4cnccn4)n3)C2)c(C)c1C 19577367 ZXEZXIJEEGIYCL-SFHVURJKSA-N 405.502 3.232 0 40 HGAB CC(=O)N1CCc2nc([C@H]3CCCCN3C(=O)CC3CCCC3)nc(N(C)C)c2C1 19710418 OSQDVZVUSMHBPM-HXUWFJFHSA-N 413.566 3.081 0 40 HGAB O=C(O)Cc1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)[nH]2)cc1 20763698 YDZKOHKGTWAJMW-UHFFFAOYSA-N 402.863 3.483 0 40 HGAB CCCC(=O)Nc1nnc(SCc2cc(=O)n3nc(CC(C)C)sc3n2)s1 20983747 PPCTULUOXWXRNT-UHFFFAOYSA-N 424.577 3.232 0 40 HGAB O=C(Nc1nnc(SCc2cc(=O)n3ccsc3n2)s1)c1cccs1 20984036 HMJLAJXGZDYWKC-UHFFFAOYSA-N 407.527 3.214 0 40 HGAB CC(C)[C@H](NC(=O)Nc1ccccc1)C(=O)Nc1ccc(CN2CCOCC2)cc1 22185695 BRMIAGCGEPMEHX-NRFANRHFSA-N 410.518 3.304 0 40 HGAB CCN(CC)C(=O)COc1ccc(N(Cc2ccc(C)cc2)S(C)(=O)=O)cc1 22231760 YVIBRJHDUDEDGR-UHFFFAOYSA-N 404.532 3.208 0 40 HGAB CC(=O)NCCc1ccc(C(=O)COC(=O)CSc2ccc3c(c2)CCC3)cc1 22536524 WDGSOYVZSGLNQN-UHFFFAOYSA-N 411.523 3.372 0 40 HGAB CCc1nc2sc([C@H](c3cccc(Cl)c3)N3CCN(CC)CC3)c(O)n2n1 22578016 HFVFERNNPALZEV-INIZCTEOSA-N 405.955 3.439 0 40 HGAB c1ccc(Nc2nc(NCCN3CCOCC3)nc3c2cnn3-c2ccccc2)cc1 22698841 NJRPEOXVTSHKTH-UHFFFAOYSA-N 415.501 3.303 0 40 HGAB CCN(C(=O)[C@H](C)N1CCN(CC(=O)Nc2ccc(C)cc2)CC1)C1CCCCC1 22914229 LZVZVBWTTIGDLX-FQEVSTJZSA-N 414.594 3.121 0 40 HGAB Cc1cc(C(=O)N(CCCN2CCOCC2)c2nc3c(F)cccc3s2)on1 23128094 MWXWWMVIKQBNAX-UHFFFAOYSA-N 404.467 3.101 0 40 HGAB O=C(/C=C/c1ccc2c(c1)OCO2)N1CCN(Cc2nc(-c3ccco3)cs2)CC1 23137251 UUSUJOSNBPNEBP-GQCTYLIASA-N 423.494 3.489 0 40 HGAB CC(C)[C@H](CNC(=O)Cc1ccc(NC(=O)OC(C)(C)C)cc1)N1CCOCC1 24770717 CZIBOYHBCUCTHA-IBGZPJMESA-N 405.539 3.049 0 40 HGAB Cc1ccc(Cn2nccc2NC(=O)CCN2C(=O)[C@@H](C)Oc3ccccc32)cc1 24772591 SPRYMKNHGSCTIT-QGZVFWFLSA-N 404.470 3.383 0 40 HGAB Cc1sc2ncn(CC(=O)OCC(=O)Nc3cccc4ccccc34)c(=O)c2c1C 25199342 LXKLSZPRBJTVDO-UHFFFAOYSA-N 421.478 3.410 0 40 HGAB CCOc1ccc(C(C)=O)cc1COC(=O)c1nn(-c2ccccc2)c(C)cc1=O 25850915 SUVJCOPQJWGRLF-UHFFFAOYSA-N 406.438 3.499 0 40 HGAB Cc1ccc(CN(C)C(=O)CN2CCN(c3cc(C)nc(C(C)C)n3)CC2)c(C)c1 29632011 ZEBMBICUQQWCHW-UHFFFAOYSA-N 409.578 3.306 0 40 HGAB COc1ccc(CN2CCN(C(=O)c3ccc4c(c3)NC(=O)[C@@H](C)S4)CC2)cc1 32747635 RVBVSPBPERGDPR-OAHLLOKOSA-N 411.527 3.086 0 40 HGAB CSc1cccc(N2C[C@H](C(=O)Nc3ccc4c(c3)NC(=O)[C@@H](C)O4)CC2=O)c1 32772890 DUWMJWXDKFIEQM-CHWSQXEVSA-N 411.483 3.120 0 40 HGAB CC1=C[C@@H](CN2CCC(O)CC2)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2cncn2C)o1 35442727 MBMVONHGTDIBOW-BJLQDIEVSA-N 413.566 3.324 0 40 HGAB biogenic,in-vitro COc1ccc(C)cc1NC(=O)CN1C(=O)NC2(CCC(C(C)(C)C)CC2)C1=O 36714400 MGENYBKTBXQMEM-UHFFFAOYSA-N 401.507 3.469 0 40 HGAB C[C@]12CCC(=O)N1[C@@H](C(=O)N(Cc1ccc3c(c1)OCO3)C1CCCC1)CS2 36774041 CUZLVUFABDBAQO-IERDGZPVSA-N 402.516 3.141 0 40 HGAB NC(=O)c1cc(-c2csc(NC(=O)c3nn(-c4ccccc4)c4c3CCC4)n2)c[nH]1 39554922 VFICGFDDKLXPRQ-UHFFFAOYSA-N 418.482 3.164 0 40 HGAB COc1ccc([C@@H](CNC(=O)c2cnn3c(C)cc(C)nc23)N2CCCCC2)cc1 40068944 UYHRGXJAIBWWKC-OAQYLSRUSA-N 407.518 3.312 0 40 HGAB COc1cc([C@H](C)NC(=O)CN2C(=O)c3ccccc3C2=O)ccc1OCC(C)C 40087664 JOAPISVNCDLELQ-HNNXBMFYSA-N 410.470 3.203 0 40 HGAB COc1ccc([C@H](NC(=O)C2CCN(C(=O)NCc3ccco3)CC2)C2CC2)cc1 48290676 RTWHJRBVWCDPLX-OAQYLSRUSA-N 411.502 3.477 0 40 HGAB Cc1ccc(C)c(-c2cc3c(=O)n(CC(=O)Nc4ccc(C)c(C)c4)ncn3n2)c1 51317014 WHWCEISIYNEGCI-UHFFFAOYSA-N 401.470 3.430 0 40 HGAB COC(=O)Cc1c(C)c2cc3c(c(C)c2oc1=O)OCN(Cc1ccccc1OC)C3 54278254 FIDUEGQNKUNZPJ-UHFFFAOYSA-N 423.465 3.486 0 40 HGAB CCOC(=O)C1=C(CN2CCc3ccccc3C2)NC(=O)N[C@H]1c1cccc(F)c1 57415611 USWSVZMABZNFPY-NRFANRHFSA-N 409.461 3.055 0 40 HGAB Cc1ccccc1CSCCNC(=O)[C@H](C)N(c1ccccc1)S(C)(=O)=O 57473541 QYBWMVVCMHNXMB-KRWDZBQOSA-N 406.573 3.199 0 40 HGAB COc1cccc(N2CCN(C(=O)c3cc(-c4ccc(OC)cc4OC)[nH]n3)CC2)c1 57477156 BLWPJEAQMQUOPT-UHFFFAOYSA-N 422.485 3.065 0 40 HGAB COc1ccc(-c2cc(C(=O)N3CCN(c4ccc(F)cc4)CC3)n[nH]2)c(OC)c1 57477165 HWGZZDIBJXESMI-UHFFFAOYSA-N 410.449 3.195 0 40 HGAB O=C(Cn1c(=O)n(CCc2cccs2)c(=O)c2sccc21)Nc1ccccc1 57493952 SSWSTJAWQYCHQR-UHFFFAOYSA-N 411.508 3.168 0 40 HGAB Cc1cc(C)c2[nH]c(=O)c(CN(CCCO)Cc3nnnn3C3CCCCC3)cc2c1 57642695 GECMCCKRVPMQIV-UHFFFAOYSA-N 424.549 3.021 0 40 HGAB COc1cccc(N2CCN(C(=O)c3n[nH]nc3Nc3ccc(Cl)cc3)CC2)c1 67284327 MIMQUPCSGSWHOF-UHFFFAOYSA-N 412.881 3.173 0 40 HGAB O=C(Cn1cnc2nc(N3CCCCC3)sc2c1=O)Nc1cc(F)ccc1Cl 67317069 HPMVKWGHDZFOJW-UHFFFAOYSA-N 421.885 3.275 0 40 HGAB CC[C@@H]1Oc2ccc([C@H](O)c3ccco3)cc2N(CC(=O)N2CCC(C)CC2)C1=O 72343100 HGQWXJBEKCQPOV-AVRDEDQJSA-N 412.486 3.124 0 40 HGAB Cn1cc(C(=O)N2CCCC[C@H]2c2nc(N)ncc2-c2cccc(Cl)c2)ccc1=O 72377208 YYNRUXURUYNQEX-SFHVURJKSA-N 423.904 3.445 0 40 HGAB COc1ccc(CCC(=O)N2CCC[C@H]2c2ccnc(Nc3ncccn3)n2)cc1 72377878 VYJCTQDROBZKLB-IBGZPJMESA-N 404.474 3.315 0 40 HGAB O=S(=O)(c1ccc(Cl)s1)N1CCC[C@@H](c2nnc(C(F)(F)F)o2)C1 77198117 ADBBCHDVNXEMBA-SSDOTTSWSA-N 401.819 3.372 0 40 HGAB COc1cc(OC)cc(C(=O)N(C)CC2CCN(C[C@@H](O)c3ccccc3)CC2)c1 79026023 WLFWSHBEPLDWJJ-HSZRJFAPSA-N 412.530 3.221 0 40 HGAB COc1cc(N[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3C)C2)cc(OC)c1 79111008 XCZNECCDGPEETM-MRXNPFEDSA-N 408.495 3.417 0 40 HGAB Cc1ccccc1[C@@H](C)NC(=O)Nc1cc(C2CC2)nn1[C@H]1CCS(=O)(=O)C1 84234817 MSRPTAKCEKHBED-ZBFHGGJFSA-N 402.520 3.311 0 40 HGAB C[C@H](CNC(=O)c1ccc(=O)n(Cc2ccccc2)n1)c1nc2ccccc2s1 84638471 ZWNWHPSWPQRSBA-OAHLLOKOSA-N 404.495 3.435 0 40 HGAB C[C@@H]1CN(c2ccc(C(=O)NCC(C)(C)c3ccc4c(c3)OCO4)cn2)C[C@@H](C)O1 89936844 ZKBKDIRUBBSPRR-HZPDHXFCSA-N 411.502 3.132 0 40 HGAB Cc1nc2ccc(F)cc2c(=O)n1CC(=O)Nc1ccc2c(c1)nc(C(C)C)n2C 95472194 UJOHGJKCDJIHRB-UHFFFAOYSA-N 407.449 3.493 0 40 HGAB COc1cccc([C@H]2CC(c3ccccc3NS(C)(=O)=O)=NN2C(=O)C(C)C)c1 97105761 IJDQFPWCDWONOB-HXUWFJFHSA-N 415.515 3.400 0 40 HGAB Cc1ccc(N2C(=O)[C@H]3N=NN(Cc4nc(-c5ccccc5)no4)[C@H]3C2=O)cc1Cl 101262194 HSZGVDYKASHYPC-DLBZAZTESA-N 422.832 3.192 0 40 HGAB O=C1N[C@H](c2cccc(O)c2)[C@H](C(=O)c2ccc(Cl)cc2)[C@@](O)(C(F)(F)F)N1 102790263 RDQLJCDEPOORFC-CKEIUWERSA-N 414.767 3.150 0 40 HGAB CCOC(=O)C1(C(=O)OCC)[C@@H](c2ccc(C)cc2)[C@H]1S(=O)(=O)c1ccccc1 218333483 XEHTXIXENUYGDE-RBUKOAKNSA-N 416.495 3.047 0 40 HGAB CCOc1ccc(CNC(=O)COc2ccc(I)cc2)cc1 219834672 UJAJKPGSWFXBPL-UHFFFAOYSA-N 411.239 3.385 0 40 HGAB COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NCc2ccccc2)cc1OC 222767969 AXYMOZPFLWUKDN-RGEXLXHISA-N 406.438 3.384 0 40 HGAB COc1ccccc1NS(=O)(=O)c1nnc(NC(=O)c2ccccc2Cl)s1 223255779 FQLNFVUANGABLG-UHFFFAOYSA-N 424.891 3.253 0 40 HGAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1nnc(SCC(=O)OC)s1 224117167 XLCKDKXINNMGIG-NSHDSACASA-N 401.897 3.253 0 40 HGAB CC[C@@H](NC(=O)CN(c1ccccc1F)S(C)(=O)=O)c1ccc(OC)c(C)c1 224752445 SHJXEQFARFIFPX-QGZVFWFLSA-N 408.495 3.176 0 40 HGAB COc1ccc(-c2noc(CN(C)C(=O)C3(c4ccccc4)CCOCC3)n2)cc1 224950349 UOPPMKKLQNAEJQ-UHFFFAOYSA-N 407.470 3.452 0 40 HGAB COc1ccc([C@H](CC(C)C)NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1 225420992 RTCBVTUETNSPEC-FQEVSTJZSA-N 404.532 3.463 0 40 HGAB CNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)Cc1ccccc1C 225495946 JILLNFNOMFRSQC-OAHLLOKOSA-N 403.320 3.463 0 40 HGAB CC(C)c1ccc(CCCNC(=O)COc2ccc(N(C)S(C)(=O)=O)cc2)cc1 225684012 BCFOAPVRGZQJIX-UHFFFAOYSA-N 418.559 3.334 0 40 HGAB C[C@@]1(C(=O)Nc2ccc(OC3CSC3)cc2)CCN(c2ccccc2)S1(=O)=O 225949938 CBSSGVGHBVAWDL-FQEVSTJZSA-N 418.540 3.118 0 40 HGAB O=C1C=C(Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)CN1c1ccccc1 227163266 CVSOIXKRFORXHQ-UHFFFAOYSA-N 412.496 3.287 0 40 HGAB Cc1cc(=O)n(CC(=O)N2CC[C@H](Oc3ccccc3)[C@@](C)(O)C2)c2c(C)cccc12 257231669 GHTAWHJZTRISDO-OFVILXPXSA-N 420.509 3.049 0 40 HGAB CCC(=O)N1CCC[C@H]1c1cc2nc(C)c(CCC(=O)NC3CCCC3)c(C)n2n1 257321009 VZRNJOXQEOGCEM-FQEVSTJZSA-N 411.550 3.411 0 40 HGAB Cn1cc(CNC[C@@H]2CC[C@H]3CN(C(=O)c4ccccc4)c4ccccc4CN23)cn1 306135230 OLJKWZVTIQXYAM-GOTSBHOMSA-N 415.541 3.203 0 40 HGAB CC(C)NC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)N[C@H](C)CCc2ccccc2)cc1 408595850 VJZMIPJCLVRGKH-QZTJIDSGSA-N 418.559 3.278 0 40 HGAB C[C@H](Oc1ccc(S(=O)(=O)N2CCCCCC2)cc1)C(=O)NC1CCCCC1 408612522 SAIJITZOUOPTMF-KRWDZBQOSA-N 408.564 3.468 0 40 HGAB Cc1ccc(NC(=O)CSc2nnc([C@H](C)NC(=O)c3ccccc3)n2C)cc1 409126892 CILMBTWNEFNEIS-HNNXBMFYSA-N 409.515 3.345 0 40 HGAB CCOc1c(Br)cc(C(=O)N2CC[C@H](Cc3cnn(C)c3)C2)cc1OC 530832785 KGTPCANTDHLHJS-CYBMUJFWSA-N 422.323 3.295 0 40 HGAB C[C@@H]1Oc2ccc(C(=O)C3CCN(CCC(=O)Nc4ccccc4)CC3)cc2NC1=O 533508384 RCSAGUYQRBSXPL-INIZCTEOSA-N 421.497 3.330 0 40 HGAB COCCN1C(=O)C[C@@H](CN[C@@H](C)Cc2ccccc2F)[C@@H]1c1cnn(C(C)C)c1 583622935 HPGHIQKQBILDDG-WCAVRKLYSA-N 416.541 3.360 0 40 HGAB Cc1cccc(COC[C@@H]2CN(C(=O)c3cc4ccccc4[nH]3)Cc3ccnn32)n1 585095440 YGPGSQDBNOSRKW-FQEVSTJZSA-N 401.470 3.482 0 40 HGAB Cc1ccc(CC(=O)N2CCO[C@@]3(C2)C(=O)N(C(C)C)C[C@H]3c2ccccc2)cc1 585106754 HMYJIYOVPTUEGT-WIOPSUGQSA-N 406.526 3.170 0 40 HGAB COc1ccc([C@H]2OCC[C@@]34C[C@@H](C[C@H]23)C(C)(C)[C@H]4NC(C)=O)cc1Cn1cncn1 585261213 UIPBQZITONIAEY-HWZRGEEFSA-N 424.545 3.354 0 40 HGAB O=C1CC2(CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)ON1Cc1ccccc1 1549161778 LEHFKZQBQLOGAL-UHFFFAOYSA-N 420.918 3.227 0 40 HGAB COC1=C(C)C(=O)O/C1=C1\O[C@@H]2CCCN3/C(=C4\C[C@H](C)C(=O)O4)CC[C@H]3[C@H]2[C@@H]1C 1560411827 ILSVLZCWCWOWCR-NZLBXDDKSA-N 415.486 3.379 0 40 HGAB COCC(=O)N1CC[C@@H]2[C@H](C1)[C@@H](c1ccc(OC)cc1)CN2Cc1cccc(F)c1 1848351916 CDFKJOPVRXWTME-DNVJHFABSA-N 412.505 3.297 0 40 HGAB Cc1nc(C(C)(C)C)nc(OCC2CCN(c3ncnc4c3ncn4C)CC2)c1C 1888909630 QOMNTLMMINWCGG-UHFFFAOYSA-N 409.538 3.363 0 40 HGAB Cc1cc(=O)oc2cc(OCC(=O)OCC(=O)Nc3ccc4c(c3)CCC4)ccc12 2660196 NBXGQHIVAIQUBD-UHFFFAOYSA-N 407.422 3.151 0 40 HGAB CS(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2ccc(SC(F)F)cc2)cc1 3548129 LZAXPHFTEVAJJC-UHFFFAOYSA-N 415.439 3.200 0 40 HGAB CCOC(=O)c1ccc(NC(=O)[C@H]2C(=O)N(C)[C@]3(C)C[C@H]2c2ccccc2O3)cc1 4174414 JTACJWZZFAPPCS-LTMIRXACSA-N 408.454 3.173 0 40 HGAB O=C(NCc1ccco1)C(=O)c1cn(CC(=O)N2CCCCCC2)c2ccccc12 4272406 IPCITTDNVAJQPK-UHFFFAOYSA-N 407.470 3.136 0 40 HGAB CCOc1ccc(-n2ccnc(SCC(=O)NCCc3ccccc3)c2=O)cc1 4853205 FZWFIGFZUQLKTM-UHFFFAOYSA-N 409.511 3.082 0 40 HGAB OC1(c2cccc(C(F)(F)F)c2)CCN(Cc2nnnn2Cc2ccccc2)CC1 4967715 PWYYUHXFVKLPQB-UHFFFAOYSA-N 417.435 3.224 0 40 HGAB CC(C)C(=O)N1CCCc2cc(NS(=O)(=O)c3ccc4c(c3)OCCO4)ccc21 5099648 QFJQUYYIORVZLY-UHFFFAOYSA-N 416.499 3.194 0 40 HGAB Cc1csc(SCC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2Cl)n1 5101389 SBRJVJJYWLGPAG-UHFFFAOYSA-N 405.954 3.086 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(C)c(NS(=O)(=O)c2ccccc2Cl)c1 5126921 PYMLGGPHJNFXHW-UHFFFAOYSA-N 416.952 3.480 0 40 HGAB COCCCn1c(C(=O)N[C@@H]2CCCC[C@H]2C)cc2c(=O)n3cccc(C)c3nc21 5243326 BAWCCJGOXNSHNZ-CRAIPNDOSA-N 410.518 3.303 0 40 HGAB CCOC(=O)c1c(C)[nH]c(C(=O)O[C@H](C)C(=O)Nc2ccc(C(C)=O)cc2)c1C 5326258 NYWHBELWRKWJJO-CQSZACIVSA-N 400.431 3.195 0 40 HGAB CN(C)C[C@@H]1CCC[C@@H](CN(C)C)C1OC(=O)C(O)(c1ccccc1)c1ccccc1 5699219 OATLNLNXMMWYCC-SFTDATJTSA-N 424.585 3.374 0 40 HGAB COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)cc1OC 5745332 LLQKMXBNRZCRDZ-FMIVXFBMSA-N 402.859 3.189 0 40 HGAB Cc1ccc(-c2cc(NC(=O)CSc3nnnn3C)n(-c3ccccc3)n2)cc1 6643472 BIDNUSYJPIPRPP-UHFFFAOYSA-N 405.487 3.102 0 40 HGAB CC[C@H](C)NC(=O)CN(c1nc2ccccc2s1)S(=O)(=O)c1ccccc1 7441941 LXAVRHWKXDJJMA-AWEZNQCLSA-N 403.529 3.406 0 40 HGAB CNC(=O)c1ccc(NC(=O)CSc2nnc(-c3cccs3)n2C2CC2)cc1 7546431 XIUIRMUGUOGODD-UHFFFAOYSA-N 413.528 3.432 0 40 HGAB COC(=O)C1=C(C)N(CCCC(=O)O)C(=O)N[C@@H]1c1ccc(Cl)c(Cl)c1 7551177 AHBLCHWTDXUFSZ-OAHLLOKOSA-N 401.246 3.372 0 40 HGAB O=C(O)c1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2-n2cccn2)cc1 7729052 JPSQNBBTPRCNJG-UHFFFAOYSA-N 411.361 3.390 0 40 HGAB CN(Cc1ccccc1)C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 8091292 WQWJZRKAQMATAO-KRWDZBQOSA-N 406.935 3.399 0 40 HGAB CCn1c(S[C@@H]2C[C@H](C)OC2=O)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 8135056 MKSHRCDQSGQAHH-SUMWQHHRSA-N 423.560 3.027 0 40 HGAB COc1ccc(C(=O)N(c2ccc(Br)cc2)[C@H]2C=CS(=O)(=O)C2)cc1 8788999 IUZJULZZQUZIKQ-INIZCTEOSA-N 422.300 3.415 0 40 HGAB COc1ccc(CCN[C@H]2CC(=O)N(c3ccc(OC(F)(F)Cl)cc3)C2=O)cc1 8817740 LLMXCEQVXZVKLR-KRWDZBQOSA-N 424.831 3.327 0 40 HGAB Cc1ccc(-n2ncc3c(=O)n(NC(=O)Cc4ccc(Cl)cc4)cnc32)cc1C 10252139 ABUPTDVTBSNUSF-UHFFFAOYSA-N 407.861 3.165 0 40 HGAB COc1cccc(CC(=O)N2CCC(c3nc4ccccc4cc3C(N)=O)CC2)c1 12254446 AFGHNBYZLHQGMQ-UHFFFAOYSA-N 403.482 3.291 0 40 HGAB O=C(O)/C=C/c1ccc(S(=O)(=O)Nc2cccc(NC(=O)c3ccco3)c2)cc1 12548536 WYWBGKXZEQALBM-DHZHZOJOSA-N 412.423 3.431 0 40 HGAB Cc1ccc(OCC(=O)Nc2sc3c(c2C(=O)N2CCOCC2)CCCC3)cc1 12795988 QCDXYNHIWWTTAE-UHFFFAOYSA-N 414.527 3.425 0 40 HGAB Cc1csc(S[C@@H](C)C(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)n1 12863970 SMFRRRVFYLGCHR-JTQLQIEISA-N 419.981 3.475 0 40 HGAB O=C(CN1CCN(c2nc(-c3ccccc3)c3ccccc3n2)CC1)N1CCCCC1 12873533 VEONDYUNKIEKCM-UHFFFAOYSA-N 415.541 3.431 0 40 HGAB COc1ccc(N2C[C@]34C=C[C@H](O3)[C@H](C(=O)N[C@@H](C)CCCC(C)C)[C@@H]4C2=O)cc1 12892006 OLAUHODKTOCQBC-SZVMMIAPSA-N 412.530 3.313 0 40 HGAB O=C(Nc1sc2c(c1C(=O)N1CCOCC1)CCCC2)[C@H]1Cc2ccccc2O1 12939898 OVVVRUIXYCHVIP-QGZVFWFLSA-N 412.511 3.042 0 40 HGAB COC(=O)C1(NC(=O)COc2ccc(Br)cc2Cl)CCCCC1 12939945 NIRDLCJVKPZBJC-UHFFFAOYSA-N 404.688 3.473 0 40 HGAB COc1ccc(Cl)cc1NC(=O)COC(=O)c1sc2nc(C)[nH]c(=O)c2c1C 13017861 YYYDCLKZOUOWDP-UHFFFAOYSA-N 421.862 3.059 0 40 HGAB CCNC(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1/C=C\[C@@H](O)CCc1ccccc1 13532605 AQOKCDNYWBIDND-SQXUUDCTSA-N 415.574 3.147 0 40 HGAB CCN(CC)C(=O)c1cccc(NC(=O)Cn2cnc3cc(Cl)ccc3c2=O)c1 15513372 MMFIJJITXMMOBE-UHFFFAOYSA-N 412.877 3.171 0 40 HGAB CCNS(=O)(=O)c1cc(C(=O)Nc2ccc(C(F)(F)F)cc2)ccc1OC 16681841 FLNVKVAYAMJILE-UHFFFAOYSA-N 402.394 3.265 0 40 HGAB COc1cccc(N2CCN([C@@H]3CC(=O)N(c4ccc(C)c(Cl)c4)C3=O)CC2)c1 18122128 ARKHFMQWNSLVGD-HXUWFJFHSA-N 413.905 3.111 0 40 HGAB C/C=C/c1ccc(OCC(=O)N2CCN(CCOc3ccccc3)CC2)c(OC)c1 18826637 CLAROBFZKWDICI-XVNBXDOJSA-N 410.514 3.330 0 40 HGAB COc1ccc([C@@H]2CN(C(=O)Cc3cccc(F)c3)C[C@H]2c2cc(=O)[nH]c(C)n2)cc1 19285485 CDJBGZMBQFDULP-LEWJYISDSA-N 421.472 3.178 0 40 HGAB COc1ccc(CN2CCC[C@](Cc3ccccc3-c3cncnc3)(C(N)=O)C2)cc1 19555082 KSCCZBHASWCTBG-RUZDIDTESA-N 416.525 3.462 0 40 HGAB Cc1sc2ncn(CC3(O)CCN(C(=O)CC4CCCC4)CC3)c(=O)c2c1C 19561340 BTFTWWFHNQJBPH-UHFFFAOYSA-N 403.548 3.009 0 40 HGAB Cc1cc(C)cc(-c2ccccc2C[C@@H]2CN(C(=O)c3cnn(C)c3)CCNC2=O)c1 19569878 NWKJBJAZRBUQIX-OAQYLSRUSA-N 416.525 3.135 0 40 HGAB Cc1cnc(C(=O)N2CCC(c3nc(N(C)C)ncc3-c3ccc(F)cc3)CC2)cn1 19695181 WIWFDHNIOCSOMH-UHFFFAOYSA-N 420.492 3.467 0 40 HGAB COc1cccc(C(=O)N2CC[C@H](C(=O)Nc3cccc(Cn4cccn4)c3)C2)c1 19750460 ISKQZBFPHXQYPU-IBGZPJMESA-N 404.470 3.041 0 40 HGAB COc1ccc(Cl)cc1S(=O)(=O)N[C@H](C)C(=O)Nc1cc(F)ccc1C 20016434 BIKVUVGMOZVXHH-LLVKDONJSA-N 400.859 3.102 0 40 HGAB CCOc1ccc([C@H](C)NC(=O)CN(c2ccc(CC)cc2)S(C)(=O)=O)cc1 20460558 ZWFLGGVKBZIDNE-INIZCTEOSA-N 404.532 3.291 0 40 HGAB COC(=O)[C@H](CC(C)C)NC(=O)N1CCc2nc[nH]c2[C@H]1c1cccc(Cl)c1 20731203 VGYTZWTZRHEZAQ-FUHWJXTLSA-N 404.898 3.308 0 40 HGAB O=C(C[C@H]1C(=O)Nc2nc(-c3ccccc3)nn21)Nc1ccc(Br)cc1 20746042 PWLZFVKUYRYCRO-AWEZNQCLSA-N 412.247 3.230 0 40 HGAB CCN(Cc1ccc(Br)s1)S(=O)(=O)c1ccc2c(c1)OCCO2 21188684 FQWMVHJNYAJBBA-UHFFFAOYSA-N 418.334 3.493 0 40 HGAB Cc1cc(C(=O)O)cc(S(=O)(=O)Nc2cccc(-c3nnc4n3CCC4)c2)c1C 22835214 HIYGEAJSDGKLGW-UHFFFAOYSA-N 412.471 3.007 0 40 HGAB Cc1nc(-c2cc(C)n(CC(=O)N(C)Cc3nc4ccccc4c(=O)[nH]3)c2C)cs1 23055150 IMTBNQGOHATCNM-UHFFFAOYSA-N 421.526 3.432 0 40 HGAB NC(=O)c1ccccc1NC(=O)[C@H]1CCCN(c2ccc(-c3ccccc3)nn2)C1 23142634 PUWCREFOWYVGEH-KRWDZBQOSA-N 401.470 3.098 0 40 HGAB COc1ccc(OC)c(CN2CCN(CC(=O)c3c(C)[nH]c4ccccc34)CC2)c1 23248500 RNZSBEXPZCLFKP-UHFFFAOYSA-N 407.514 3.494 0 40 HGAB O=C(Nc1c(F)cccc1F)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1 24609991 XEWVDNSNRWOZPH-UHFFFAOYSA-N 412.433 3.284 0 40 HGAB CCOc1cc2c(cc1COC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)O[C@@H](C)C2 24710718 FXQSPGGGLYVKFS-AWEZNQCLSA-N 419.499 3.016 0 40 HGAB O=C(Nc1ccccc1)[C@@H]1CCCN(C(=O)NCc2ccnc(N3CCCC3)c2)C1 26303041 OYIBSSOWKLNSIG-LJQANCHMSA-N 407.518 3.242 0 40 HGAB COc1cc(C(=O)OCC(=O)NC(=O)Nc2ccc(C)cc2C)cc2c1O[C@H](C)C2 31323249 RSTPRTVTZUDINP-CQSZACIVSA-N 412.442 3.141 0 40 HGAB CN(C(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1)[C@@H]1CCCc2ccccc21 32969004 ANANSRWYZJCIOI-OAQYLSRUSA-N 413.543 3.018 0 40 HGAB CSCC[C@@H](NC(=O)COc1ccccc1)C(=O)N(C)Cc1cccc(F)c1 33000149 NVGGNQSKLAEKBC-LJQANCHMSA-N 404.507 3.101 0 40 HGAB Cc1ccc(C2=NC3(CCN(CC(=O)Nc4ccccc4Cl)CC3)NC2=O)cc1C 35430669 ZRQWPKKCIMVVNR-UHFFFAOYSA-N 424.932 3.307 0 40 HGAB biogenic Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)O2 38834738 ZICQIWBWNARKGW-INIZCTEOSA-N 414.405 3.180 0 40 HGAB Cc1cc2nc(Sc3nnc(N4CCOCC4)n3C3CC3)c3ccccc3n2n1 40071564 TUTPNABQQBCZPO-UHFFFAOYSA-N 407.503 3.105 0 40 HGAB Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)c1ccc(S(=O)(=O)N2CCCC2)o1 40142600 QGCLDGPWIKMTOE-OAHLLOKOSA-N 406.504 3.409 0 40 HGAB Cc1cc([C@H]2CCCN2C(=O)Cc2csc(NC(=O)c3ccoc3C)n2)on1 40154753 VSCGDWDTSDZBFT-OAHLLOKOSA-N 400.460 3.499 0 40 HGAB CCCNC(=O)NC(C)(C)C(=O)Nc1ccc(OC)c(OCc2ccncc2)c1 48310213 YOPNPGIHGIQZRU-UHFFFAOYSA-N 400.479 3.096 0 40 HGAB O=C(NCc1ccc(N2CCCC[C@H]2CCO)nc1)c1cc(-c2ccc(F)cc2)[nH]n1 48332860 QWJFNGSSRREDCM-IBGZPJMESA-N 423.492 3.282 0 40 HGAB Cc1ccc(CN2CCc3ncn(CC(=O)Nc4ccc(C)cc4)c(=O)c3C2)cc1 49400902 BMHGKOJRACGYDT-UHFFFAOYSA-N 402.498 3.057 0 40 HGAB O=C(Cn1cnc2c(cnn2-c2ccc(F)cc2)c1=O)Nc1ccc(Cl)cc1F 57486554 OZSHIBQLTQWLQO-UHFFFAOYSA-N 415.787 3.153 0 40 HGAB CCCCn1c(=O)[nH]c2cc(-c3nc(-c4ccc(OC)c(OC)c4)no3)ccc2c1=O 57510625 CTXZSLBXCUZQAZ-UHFFFAOYSA-N 422.441 3.224 0 40 HGAB Cc1ccc(-c2nc(C)sc2CC(=O)N(C2CC2)[C@@H]2CCS(=O)(=O)C2)cc1 57811782 MJJROJKRMLNEES-QGZVFWFLSA-N 404.557 3.148 0 40 HGAB O=S(=O)(Nc1ccc(F)c(F)c1F)c1cc2c(cc1Br)OCCO2 60838042 XEEKKZZKUBPKFR-UHFFFAOYSA-N 424.194 3.438 0 40 HGAB O=C(Cn1cc(-c2ccccc2)c(N2CCOCC2)n1)NCc1ccc(Cl)cc1 62006874 NQLRRJMSHVBWQB-UHFFFAOYSA-N 410.905 3.357 0 40 HGAB Cc1cc(NS(=O)(=O)c2ccc3c(c2)sc(=O)n3C)ccc1Br 64946771 KEUHTWZTSPQIOR-UHFFFAOYSA-N 413.318 3.472 0 40 HGAB COc1ccc(S(=O)(=O)c2cnc(N(C)C3CCCCC3)nc2N)cc1Cl 67336055 TYFFCFYZPDPXNK-UHFFFAOYSA-N 410.927 3.323 0 40 HGAB Cc1sc2nc(C3CC3)n(C3CCN(C(=O)[C@H]4CCCO4)CC3)c(=O)c2c1C 72335679 NFWMDHSDZSLREH-MRXNPFEDSA-N 401.532 3.295 0 40 HGAB Cc1cc(Nc2nc(C)cc(C)n2)cc([C@@H]2CCCN(C(=O)CN3CCCC3)C2)n1 72374933 IGSWKSLPXQTAFO-LJQANCHMSA-N 408.550 3.342 0 40 HGAB CN(C)C(=O)[C@]1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)c2cnccn2)C1 72390569 PZFAPEYEQQGISP-VWLOTQADSA-N 414.509 3.307 0 40 HGAB COc1ccc(-c2coc3c4c(cc(O)c3c2=O)OC(=O)C[C@H]4c2ccnn2C)cc1 85879920 MZACNMXOLUFJDC-AWEZNQCLSA-N 418.405 3.349 0 40 HGAB biogenic O=C(NCCc1ccc(Br)s1)c1ccc2c(c1)C(=O)N(C1CC1)C2=O 89800368 HACMAYQDWBNERM-UHFFFAOYSA-N 419.300 3.242 0 40 HGAB CN(C)Cc1cccc(CNC(=O)[C@H](Cc2ccccc2)NC(=O)c2cccs2)c1 95349802 CCTGLBWJHIEKOC-NRFANRHFSA-N 421.566 3.467 0 40 HGAB COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C(=O)NC[C@@H](C)C(=O)O)c1 95970582 MVSQOHRDYHKLAJ-CQSZACIVSA-N 409.442 3.007 0 40 HGAB CCCS(=O)(=O)N1CCC2(CC1)C[C@@H](CC(=O)NC1CCC1)c1ccccc1O2 96243158 IFOOEORLJSGNLH-QGZVFWFLSA-N 420.575 3.186 0 40 HGAB Cn1/c(=N/C(=O)CCSc2ccccc2)sc2cc(S(C)(=O)=O)ccc21 100859793 JTHVTNWYDCHVQC-HNENSFHCSA-N 406.554 3.253 0 40 HGAB O=C(/N=c1\c2ccccc2[nH]c(=O)n1Cc1ccccc1)Nc1ccc2c(c1)OCO2 101113870 ZQFCKOHRNKOWEQ-YYADALCUSA-N 414.421 3.239 0 40 HGAB CCOc1ccc2nc(NC(=O)CCN3C(=O)[C@H]4CCCC[C@@H]4C3=O)sc2c1 102954695 PGJGORNWUYTYLQ-KBPBESRZSA-N 401.488 3.199 0 40 HGAB Cc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4CCCC[C@@H]4C3=O)c2)cc1 136286789 MRFCBHPEQGONOO-PMACEKPBSA-N 420.465 3.470 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC[C@@]3(C2)OC(=O)c2ccccc23)cc1Cl 211113589 RACAQFIZBRLEGI-IBGZPJMESA-N 407.875 3.199 0 40 HGAB Cc1ccc(OC[C@@H](C)NC(=O)CCCN(c2cccc(C)c2)S(C)(=O)=O)cc1 219622525 AVEZELMSJMQWIO-LJQANCHMSA-N 418.559 3.433 0 40 HGAB CCc1ccc(N([C@@H](C)C(=O)N(C)Cc2ccc(OC)cc2)S(C)(=O)=O)cc1 220260198 HEIYECQAFBMMAJ-INIZCTEOSA-N 404.532 3.071 0 40 HGAB CC[C@@H](C(=O)N[C@@H](C)COc1ccc(C)cc1)N(c1ccccc1F)S(C)(=O)=O 220605671 CPOMSLYCNWANMW-LPHOPBHVSA-N 422.522 3.262 0 40 HGAB CCOc1ccc(N(CCCC(=O)N2CCc3ccccc3C2)S(C)(=O)=O)cc1 222617694 QBDCHMSZXUOSFX-UHFFFAOYSA-N 416.543 3.216 0 40 HGAB CC(C)c1ccc(N(CC(=O)NCCOc2ccc(Cl)cc2)S(C)(=O)=O)cc1 223632123 LLNUDUHGVBQHIE-UHFFFAOYSA-N 424.950 3.425 0 40 HGAB COc1ccc(Cl)cc1S(=O)(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1 223713205 KIONXMPMQPFGCL-CQSZACIVSA-N 424.906 3.058 0 40 HGAB COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)N(c1cc(C)cc(C)c1)S(C)(=O)=O 224147533 SEOPKDSAANCWBU-IAGOWNOFSA-N 404.532 3.344 0 40 HGAB Cc1nccn1-c1ccccc1CNC(=O)c1ccc(N2CCCCS2(=O)=O)cc1 224380355 KUXNIHGTXWGOPG-UHFFFAOYSA-N 424.526 3.041 0 40 HGAB COC(=O)c1cc(NC(=S)NCCSCc2ccccc2)cc(C(=O)OC)c1 225219499 YODJYBPNLHUTFD-UHFFFAOYSA-N 418.540 3.480 0 40 HGAB CSc1ccc(S(=O)(=O)NCCSCc2ccco2)cc1NC(C)=O 225325371 XKRAGVSVLYOCBU-UHFFFAOYSA-N 400.547 3.172 0 40 HGAB Cc1ccc(CN(CC(=O)NCCSCc2cccc(C)c2)S(C)(=O)=O)cc1 225343107 URMMCUTVYJGLKS-UHFFFAOYSA-N 420.600 3.115 0 40 HGAB C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 225457493 TXYHPRATCRGAGI-GOSISDBHSA-N 422.525 3.406 0 40 HGAB COc1ccc(CN(C(=O)COc2ccc(F)cc2)[C@@H](C)C(=O)NC(C)C)cc1 225680656 OYINVTRPAMAYFN-INIZCTEOSA-N 402.466 3.155 0 40 HGAB O=C(O)[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc2c3c(cccc13)CC2 226861303 TWEJQRWOLCELMU-HXUWFJFHSA-N 420.490 3.394 0 40 HGAB COc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)cc1 260914802 BNQXLMSMKIRIGW-MRXNPFEDSA-N 416.543 3.072 0 40 HGAB COc1cccc(-c2cnc3c(N4CCN(Cc5cccnc5)CC4)nccn23)c1 306133471 MMINUIHRUDMBKI-UHFFFAOYSA-N 400.486 3.122 0 40 HGAB CCOC(=O)c1ccccc1NC(=O)[C@@H](C)N(c1cccc(Cl)c1)S(C)(=O)=O 408558452 RGWCSYXFLGWDJK-CYBMUJFWSA-N 424.906 3.310 0 40 HGAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)cc1C 408559010 KWHQMFXBLORXMC-GFCCVEGCSA-N 416.421 3.328 0 40 HGAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)N[C@@H](C)CCc2ccccc2)cc1Cl 408584215 NBQXHBXRZGPBOR-LSDHHAIUSA-N 424.950 3.153 0 40 HGAB CCCCOC(=O)c1ccc(NC(=O)CN(c2ccccc2F)S(C)(=O)=O)cc1 408604817 IKEBPQLRYWNYDK-UHFFFAOYSA-N 422.478 3.187 0 40 HGAB Cc1ccc(CNC(=O)CN(Cc2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cc1 408606444 ITBYUYZFYCLVHG-UHFFFAOYSA-N 415.342 3.380 0 40 HGAB CNC(=O)CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(C)cc1 409052120 BVPIZGOAYRBHCB-UHFFFAOYSA-N 401.315 3.239 0 40 HGAB Cc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc4c(c3)OCO4)C2=O)s1 409163629 VGVZAJWGNHIQAR-VIZOYTHASA-N 402.453 3.460 0 40 HGAB COc1ccc(/C=C2\SC(=O)N(CC(=O)N3CCCC[C@@H]3C)C2=O)c(OC)c1 409215439 YTYDPPUBUNZJLY-NWRYFCBHSA-N 404.488 3.141 0 40 HGAB COc1cccc(-n2nc(C)c([C@@H]3COCCN3C(=O)CCOCC(F)F)c2C)c1 558980729 KBPHGTZVYGJQOH-SFHVURJKSA-N 423.460 3.069 0 40 HGAB COC(=O)c1sccc1S(=O)(=O)NC[C@H](c1csc2ccccc12)N(C)C 575621431 OEDZZAKGIXBTCD-CQSZACIVSA-N 424.569 3.331 0 40 HGAB Cc1cc(C)nc(Nc2cc([C@H]3CCCCN3C(=O)/C=C/c3cnc[nH]3)nc(C)n2)n1 585290755 DRVRURPRMYPCBG-IHHMQQGQSA-N 418.505 3.426 0 40 HGAB O=C(NCc1ccncc1)c1ccc2c(c1)Cc1cccc(c1)CNCCOCCO2 643584469 NLRKOQHLLSMWNR-UHFFFAOYSA-N 417.509 3.101 0 40 HGAB COc1ccccc1COC1CCN(C(=O)[C@@H]2Cc3ccccc3N2C(C)=O)CC1 678330212 UPLLLJUWKIDITI-QFIPXVFZSA-N 408.498 3.181 0 40 HGAB FC(F)(F)c1ccc(N2CC[C@H](COc3ccc4nnc(C5CC5)n4n3)C2)nc1 1888890237 PIMIRVHURWESKZ-LBPRGKRZSA-N 404.396 3.321 0 40 HGAB C[C@@H](Oc1ccc(Br)cc1Br)C(=O)Nc1ncccn1 682435 WBTAOPWRNFDHDW-MRVPVSSYSA-N 401.058 3.408 0 40 HGAB COc1c(C)cc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)cc1C 1431564 GLGOHPJPGHRTTJ-GOSISDBHSA-N 406.479 3.243 0 40 HGAB NS(=O)(=O)c1ccc(NC(=O)CSc2nc3cc(Cl)ccc3s2)cc1 2233204 OYBCNDJMPAYDCC-UHFFFAOYSA-N 413.933 3.328 0 40 HGAB COc1ccccc1CNC(=O)COC(=O)/C=C/c1c(C)nn(-c2ccccc2)c1C 3414250 AJKBMTWSLMALNY-BUHFOSPRSA-N 419.481 3.371 0 40 HGAB CC(C)(C)OC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OC(C)(C)C)[C@H]1c1cccc(O)c1 4112460 AGQCMGOCQVNZSM-JFNLIGNMSA-N 420.502 3.115 0 40 HGAB CCc1nnc(NC(=O)CSc2nnc(COc3cccc(C)c3)n2CC)s1 4169169 RAOOGIPBEXNZRK-UHFFFAOYSA-N 418.548 3.330 0 40 HGAB CC(C)NC(=O)N1C[C@@H]2C[C@H](C1)c1ccc(-c3ccccc3CN(C)C)c(=O)n1C2 4237227 CYOZFBDAJOPYJG-PKOBYXMFSA-N 408.546 3.114 0 40 HGAB biogenic,in-vitro Cn1cnnc1SCC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccc(F)cc1 4263085 TXZKXEKGKVSYJS-OAHLLOKOSA-N 401.492 3.486 0 40 HGAB O=C(c1n[nH]nc1Cl)N1N=C(c2ccc3ccccc3c2)C[C@@]1(O)C(F)(F)F 4817843 MSHQMQSVBTVQHZ-MRXNPFEDSA-N 409.755 3.112 0 40 HGAB O=C(NC1CCN(C(=S)NCc2ccco2)CC1)C12CC3CC(CC(C3)C1)C2 4888693 QAPOTAXARTXORC-UHFFFAOYSA-N 401.576 3.451 0 40 HGAB CCN(Cc1nc(-c2ccc(C)cc2)no1)S(=O)(=O)c1ccc(NC(C)=O)cc1 4943919 WXRXYHGXXLAABV-UHFFFAOYSA-N 414.487 3.214 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)N(C)Cc3ccccc3F)CC2)cc1 5704435 FARMLZUAJFTSMP-UHFFFAOYSA-N 404.507 3.193 0 40 HGAB Cc1cc(C)n(-c2ccc(C(=O)OCC(=O)Nc3ccc4c(c3)OCCCO4)cc2)n1 6509219 UUZHTSILOBPEMN-UHFFFAOYSA-N 421.453 3.446 0 40 HGAB Cc1cccc(NC(=O)COc2ccc(N3C[C@H](C(=O)NCC(C)C)CC3=O)cc2)c1 6597139 GAHQRTXQEQQFOG-GOSISDBHSA-N 423.513 3.138 0 40 HGAB O=C1c2[nH]nc(-c3ccccc3O)c2[C@H](c2cccc(Br)c2)N1CCO 6753014 MJPGYRLSNMXPIK-SFHVURJKSA-N 414.259 3.082 0 40 HGAB O=C(NC1CCCCC1)c1cccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)c1 6920345 MGZIKOCBMASRKL-UHFFFAOYSA-N 416.499 3.321 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)NCc1ccccc1C 7976195 LVEQJCSEHWLSCA-UHFFFAOYSA-N 416.543 3.498 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cc(F)ccc3C)C2)cc1 8075756 VSPMDAYWMSCRLL-OAHLLOKOSA-N 406.479 3.182 0 40 HGAB CC(C)CNC(=S)NC[C@H]1C[C@@H]2CCN1C[C@@H]2c1cc(-c2ccccc2)nn1C 8635333 GXDXEYZVXXJDSJ-ZCNNSNEGSA-N 411.619 3.385 0 40 HGAB biogenic,in-vitro CCOc1cccc2cc(C(=O)Nc3c(C)nc4scc(C)n4c3=O)c(=O)oc12 8931848 RGFAXFIFTKOYAW-UHFFFAOYSA-N 411.439 3.130 0 40 HGAB COc1ccccc1OCc1nnc(SCC(=O)Nc2ccc(F)cc2F)n1C 9263548 ZMEZIMUBSOZFIY-UHFFFAOYSA-N 420.441 3.412 0 40 HGAB CCOc1cn(-c2ccc(F)cc2)nc1C(=O)NCCc1ccc(OC)c(OC)c1 11694346 LKHBZELWAMZRRH-UHFFFAOYSA-N 413.449 3.400 0 40 HGAB COc1cc(NC(=O)[C@@H]2CC(=O)N(c3cccc(C)c3C)C2)ccc1N1CCCC1=O 11753296 VFEMNODMTFGLIK-QGZVFWFLSA-N 421.497 3.430 0 40 HGAB COc1cc(C(=O)N[C@@H](Cn2c(=O)oc3ccccc32)C(C)C)cc(OC)c1OC 12142056 WGFAJWMABUDWIH-HNNXBMFYSA-N 414.458 3.075 0 40 HGAB COc1cccc(O[C@H](C)C(=O)N2CCC(c3noc(-c4cnc(C)cn4)n3)CC2)c1 12187499 BERXLOCGIFROKN-OAHLLOKOSA-N 423.473 3.017 0 40 HGAB COc1ccc(C2(NS(=O)(=O)c3ccc4c(c3)oc(=O)n4C(C)C)CC2)cc1 12238793 KPPGSZLJQAKSSB-UHFFFAOYSA-N 402.472 3.152 0 40 HGAB O=S1(=O)c2ccccc2[C@@H](O)[C@@H](Cc2cccc3[nH]ccc23)N1Cc1ccncc1 12324392 HZAFWFNMXRZYHZ-FYYLOGMGSA-N 419.506 3.412 0 40 HGAB Cc1ccc(-c2nc(S(=O)(=O)c3ccc(F)cc3)c(N3CCN(C)CC3)o2)cc1 12419193 SEXPEYBAEMJIAI-UHFFFAOYSA-N 415.490 3.374 0 40 HGAB O=C(Cn1cc(I)cn1)Nc1ccc(Br)cc1F 12428448 TYLUWYZCJSYTFX-UHFFFAOYSA-N 424.011 3.028 0 40 HGAB O=C(CN1C(=O)c2ccccc2C1=O)Oc1ccc2nc(N3CCCCC3)sc2c1 12489388 TVRSLGDSBOADPX-UHFFFAOYSA-N 421.478 3.488 0 40 HGAB CC[C@H]1CCc2sc(-c3nnc(SCC(=O)NCCCC(=O)O)n3C)cc2C1 12916430 QOASUYPYYCHXHC-LBPRGKRZSA-N 422.576 3.132 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)Cc2c[nH]c3ccccc23)c1 13022195 BCDYMAOUWDQORY-UHFFFAOYSA-N 401.488 3.085 0 40 HGAB O=C(NC1CCCCC1)[C@@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1 13678672 BMROTMDJSOSKBS-NRFANRHFSA-N 414.527 3.233 0 40 HGAB CCOC(=O)c1cccc(NC(=O)c2cn(CC)c3cc4c(cc3c2=O)OCO4)c1 13727047 RLPXKGXXVXOXAK-UHFFFAOYSA-N 408.410 3.179 0 40 HGAB COc1ccc(C)cc1NC(=O)c1ccc(N2C(=O)[C@H](C)CS2(=O)=O)cc1Cl 15858434 FVDVCIIZWYPQFS-GFCCVEGCSA-N 422.890 3.222 0 40 HGAB CC(C)OC(=O)C[C@@H](NC(=O)CNC(=O)c1ccc(F)cc1)c1ccccc1Cl 16107309 NAGFLALTMLQMKP-GOSISDBHSA-N 420.868 3.408 0 40 HGAB O=S(=O)(c1ccccc1)[C@]1([C@]2(S(=O)(=O)c3ccccc3)CCN=N2)CCN=N1 16953089 VVNMPAFXHDPBIP-HDICACEKSA-N 418.500 3.039 0 40 HGAB Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)N(C)CCOc1ccc(Cl)cc1 17287647 AQHUZKFMIXRRTD-KRWDZBQOSA-N 417.937 3.411 0 40 HGAB Cc1nc(N2CCN(C(=O)c3ccncc3)CC2)c2c3c(sc2n1)C[C@H](C)CC3 19240628 NSERVXSNVYYJSH-CQSZACIVSA-N 407.543 3.482 0 40 HGAB O=C(c1cc2c([nH]c1=O)CCC2)N1CCN(c2ccnc3cc(Cl)ccc23)CC1 19346472 WRYINLGXUFHQDA-UHFFFAOYSA-N 408.889 3.028 0 40 HGAB Cc1noc2nc(C3CCN(C(=O)C[C@H](C)n4cncn4)CC3)cc(C(F)F)c12 19564637 QNBAZDVYNVUGGP-NSHDSACASA-N 404.421 3.418 0 40 HGAB COc1ccccc1-c1ccccc1C[C@H]1CN(C(=O)c2ccncc2)CCNC1=O 19571822 UHPDISVZQZZVAL-FQEVSTJZSA-N 415.493 3.188 0 40 HGAB CNCc1cc(N(C)C)nc([C@H]2CCCN(C(=O)CCc3ccc(Cl)cc3)C2)n1 19709622 DYNPEJWDHCLYES-KRWDZBQOSA-N 415.969 3.254 0 40 HGAB O=C(Cn1cccc(C(=O)NC2CCCCC2)c1=O)NC1(c2ccccc2)CCCC1 19749944 FPFUEHMEBVWBEP-UHFFFAOYSA-N 421.541 3.497 0 40 HGAB CCCNS(=O)(=O)c1ccc(CCC(=O)N[C@@H](C)c2ccccc2OC)cc1 20024205 JRZUHEULNHWUGF-INIZCTEOSA-N 404.532 3.194 0 40 HGAB CCOc1ccc([C@H](C)NS(=O)(=O)Cc2ccc(C(=O)OC)cc2)cc1OCC 20039349 SQVHSSGIKVDLNP-HNNXBMFYSA-N 421.515 3.451 0 40 HGAB O=C1CCCN1c1ccc(S(=O)(=O)NCCSCc2ccccc2F)cc1 20039514 XHDNQBNQMDMFKC-UHFFFAOYSA-N 408.520 3.164 0 40 HGAB CSc1ccccc1NC(=O)C1=CC(c2ccc(F)cc2)=NS(=O)(=O)N1C 20219970 IQULJENQFDRJNT-UHFFFAOYSA-N 405.476 3.050 0 40 HGAB COC(=O)c1ccccc1NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccccc1OC 20761384 HUKAVMIPFSXWCN-FQEVSTJZSA-N 406.442 3.385 0 40 HGAB biogenic Cc1nc(N(C)c2ccccc2)sc1C(=O)Nc1ccc(S(N)(=O)=O)cc1 22245366 JQINVQBZVZYZHD-UHFFFAOYSA-N 402.501 3.119 0 40 HGAB Cc1cc(CN2CCN(S(=O)(=O)c3ccc(Cl)cc3C(F)(F)F)CC2)on1 22245905 AQABFKAZPSFAGN-UHFFFAOYSA-N 423.844 3.162 0 40 HGAB COc1ccc(CN(C)C(=O)C23C[C@@H]4C[C@@H](CC(NC(C)=O)(C4)C2)C3)cc1OC 23493169 KHMVFCBDGOKWGW-WVKNIADZSA-N 400.519 3.137 0 40 HGAB O=C(CN1CCOCC1)Nc1ccc(NC(=O)c2ccccc2C(F)(F)F)cc1 24259814 BMXOOVPPACMSJM-UHFFFAOYSA-N 407.392 3.228 0 40 HGAB CC(=O)c1cccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccc(C)cc3)CC2)c1 24609067 ASIDUXFPLIDYOS-UHFFFAOYSA-N 414.527 3.378 0 40 HGAB O=C([C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1)N1CCCCC1 26113487 ULYBTXMWEGBLQG-LJQANCHMSA-N 420.918 3.309 0 40 HGAB C[C@H]1CN(C(=O)c2ccccc2NC(=O)c2cnn(-c3ccccc3)c2)C[C@@H](C)O1 27986503 KJDMDRREJJVEHE-CALCHBBNSA-N 404.470 3.374 0 40 HGAB Cc1cc(NS(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)ccc1Br 29435476 BUWRPLZQRYHERI-UHFFFAOYSA-N 412.309 3.122 0 40 HGAB Cc1ccc(-n2nc(C(=O)N(C)Cc3nc4ccsc4c(=O)[nH]3)c3c2CCC3)cc1 29786257 SICOXGUCJWFYPD-UHFFFAOYSA-N 419.510 3.240 0 40 HGAB COc1cc(CCNC(=O)C2CCN(C(=O)c3ccco3)CC2)ccc1OC(F)F 32744805 ACRSZEBURNAHRJ-UHFFFAOYSA-N 422.428 3.101 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCC[C@@H]4CCCC[C@@H]43)C2)cc1 32768605 QAENJEYBKMBRFV-WFXMLNOXSA-N 420.575 3.277 0 40 HGAB CCS(=O)(=O)c1ccc(O)c(NC(=O)c2ccc(N3CCCCCC3)nc2)c1 32809301 FLEPMVARPCJMTG-UHFFFAOYSA-N 403.504 3.214 0 40 HGAB COc1ccc(NC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(C(C)(C)C)ccc3O2)cc1 38834263 GVFDGDFHMZYPEJ-IBGZPJMESA-N 418.515 3.158 0 40 HGAB CCc1c(C(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)cnn1-c1ccc(F)cc1 40070050 HQPNCHOBWYCMCO-UHFFFAOYSA-N 416.478 3.076 0 40 HGAB Cc1ccc(-c2noc([C@H](C)N3CCN(Cc4nnsc4Cl)CC3)n2)cc1 40086170 ICOGZDULNKEPPZ-ZDUSSCGKSA-N 404.927 3.429 0 40 HGAB C[C@H]1CCCN(CCCCNC(=O)c2cccc(S(=O)(=O)NC3CCCC3)c2)C1 40112683 DPVQUCIAAAIFJO-SFHVURJKSA-N 421.607 3.149 0 40 HGAB Cc1nc2ccccc2nc1CS(=O)(=O)[C@H](C(=O)N1CCCC1)c1ccccc1 40121894 KWEWTEXSNOJOHA-NRFANRHFSA-N 409.511 3.217 0 40 HGAB CCC(CC)NS(=O)(=O)c1ccc(NCc2cc(OC)c(OC)cc2OC)nc1 40149443 LGIMHYAJYBWNFI-UHFFFAOYSA-N 423.535 3.186 0 40 HGAB CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)c2ccccc2S(=O)(=O)CC)c1 59118698 GQWUDLPORGVFIO-OAHLLOKOSA-N 402.516 3.395 0 40 HGAB COc1cccc2c1ccn2CCNC(=O)COc1ccc2c(C)cc(=O)oc2c1 70666300 AFGXSGIWOZBEOP-UHFFFAOYSA-N 406.438 3.260 0 40 HGAB biogenic Cc1nc(-n2cccc2)sc1C(=O)Nc1ccc(N2CCCCS2(=O)=O)cc1 71282597 LMMZTXDWUCVLAV-UHFFFAOYSA-N 416.528 3.425 0 40 HGAB O=C(CN1CCC[C@H]1c1cc(CCOc2cccc(Cl)c2)[nH]n1)N1CCCC1 72378315 OWMBBQYIWAGRQI-FQEVSTJZSA-N 402.926 3.444 0 40 HGAB COc1cccc(NC(=O)[C@@H](C)NC(=O)N2CCN(c3ccc(Cl)cc3)CC2)c1 80338101 ZAYMHCVXARRPSJ-OAHLLOKOSA-N 416.909 3.207 0 40 HGAB Cc1csc(CNC(=O)C(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(F)cc2)n1 84268339 RHKNBBPMSPRULK-UHFFFAOYSA-N 415.494 3.329 0 40 HGAB O=C(CN1CCN(c2cccc(C(F)(F)F)c2)CC1)Nc1ccc2c(c1)OCO2 89779508 UMNAGYMHSSCLMI-UHFFFAOYSA-N 407.392 3.195 0 40 HGAB O=C(c1cnc[nH]1)N(CC1CCN(Cc2ccccc2F)CC1)C[C@@H]1CCCO1 95502297 OHSVOMWBJGWQGX-IBGZPJMESA-N 400.498 3.082 0 40 HGAB CCCS(=O)(=O)N1CCC2(CC1)C[C@@H](CC(=O)N1CCCC1)c1ccccc12 96242112 YUTQGHABRPFJNJ-GOSISDBHSA-N 404.576 3.260 0 40 HGAB O=C(NCc1ccc(F)cc1F)c1nnn2c1CO[C@H](c1ccc(Cl)cc1)C2 97943943 LFJUSZKSCCPXPB-KRWDZBQOSA-N 404.804 3.411 0 40 HGAB CS(=O)(=O)c1cccc(C(=O)/N=c2/sccn2Cc2ccccc2Cl)c1 105394883 PNWGJAYAOUGMIH-CZIZESTLSA-N 406.916 3.396 0 40 HGAB Cc1ccc([C@H](C)NC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 105848896 AHMVOSIGVWIBGW-INIZCTEOSA-N 404.507 3.412 0 40 HGAB CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NC(C)(C)C)cc2)cc1 107764094 BAZSFEAUZYUHSH-UHFFFAOYSA-N 406.504 3.180 0 40 HGAB O=C(c1cc(-c2ccc(F)cc2)on1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 138165753 SWFXPXMTVFQEDP-UHFFFAOYSA-N 409.417 3.167 0 40 HGAB O=C(CCc1cc(Br)ccc1OC(F)F)N1CC[C@H](n2ccnn2)C1 206928968 FLTXHYLTMXJMEW-ZDUSSCGKSA-N 415.238 3.048 0 40 HGAB O=S(=O)(c1ccc(F)cc1)[C@H]1CCCN(S(=O)(=O)c2ccccc2Cl)C1 211106177 UPPHXMNBXJUDKR-HNNXBMFYSA-N 417.911 3.106 0 40 HGAB CCC[C@H]1CCc2c(sc(NC(=O)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C(=O)O)c2C(N)=O)C1 222478626 BEJPIHKVXGDYOT-GNNBREFNSA-N 402.516 3.213 0 40 HGAB Cc1cc(C(=O)N[C@H]2CC(C)(C)Oc3ccccc32)ccc1N(C)S(C)(=O)=O 222481645 XWPNBLZJUSMSIS-KRWDZBQOSA-N 402.516 3.423 0 40 HGAB COCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(C(=O)O)cc1 223022996 URQXDIIDKGYQJY-UXHICEINSA-N 422.510 3.189 0 40 HGAB COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(C)c(N3CCCC3=O)c2)c1 223843618 KYLJIGGDSHXNCQ-UHFFFAOYSA-N 422.890 3.363 0 40 HGAB CC[C@@H](C(=O)NCCOc1ccccc1C)N(c1ccc(C)c(C)c1)S(C)(=O)=O 224312682 YTGJGMYYMRLWBP-FQEVSTJZSA-N 418.559 3.352 0 40 HGAB CN(C)c1nc(N2CCOCC2)ncc1NC(=O)c1ccc(-c2ccccc2)cc1 224359438 MMAUVHCFBCSNEO-UHFFFAOYSA-N 403.486 3.299 0 40 HGAB CCOC(=O)CN(c1ccc(CC)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 224802577 DPCWEXSFLXISFK-UHFFFAOYSA-N 407.488 3.025 0 40 HGAB CC(C)CCNS(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2Cl)s1 224847366 LTVALUSOGWGQPG-UHFFFAOYSA-N 423.347 3.422 0 40 HGAB CC[C@@H](NS(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1)c1ccc(OC)c(C)c1 225093710 GOMNWNTZGGGPMM-GOSISDBHSA-N 416.499 3.087 0 40 HGAB O=C(Nc1nnc(S(=O)(=O)Nc2cccc(F)c2)s1)c1ccccc1Cl 225107502 PMYHPHXSHROTMO-UHFFFAOYSA-N 412.855 3.384 0 40 HGAB CC(C)[C@H](C)NC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)c2cc(Cl)ccc2O1 225219128 KWPUXGMIJJFHLE-LIRRHRJNSA-N 422.934 3.457 0 40 HGAB C[C@@H](CCc1ccccc1)NS(=O)(=O)c1nnc(NC(=O)c2ccccc2)s1 225775204 LNOFLIJROAPZLH-AWEZNQCLSA-N 416.528 3.090 0 40 HGAB CCC[C@]1(C(=O)OCC)N[C@H](c2cccs2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 245230595 VBMTZEQWPXOMBR-FOUBCARRSA-N 412.511 3.300 0 40 HGAB COc1cc2c(cc1OC)CN(C(=O)c1c(-c3cccnc3)noc1[C@H](C)O)CC2 253402632 OMSVEQTZXKUEFF-ZDUSSCGKSA-N 409.442 3.006 0 40 HGAB biogenic,in-vitro O=c1c(=Cc2ccccc2F)sc2nc(-c3ccccc3Br)nn12 254763506 MXRNZCWYIMZMTI-UHFFFAOYSA-N 402.248 3.267 0 40 HGAB CO[C@H]1CCN(CC(=O)Nc2nc(-c3ccc(F)cc3)c(C)s2)C[C@@]12CCCO2 257236961 HEPMGCWHRTVSPT-UWJYYQICSA-N 419.522 3.466 0 40 HGAB COc1cccc(N([C@H](C)C(=O)N[C@H](C)c2cc(C)ccc2C)S(C)(=O)=O)c1 260587823 ASCMNIRHSOKVBL-IAGOWNOFSA-N 404.532 3.344 0 40 HGAB CCN(CC)CCNC(=O)c1nc(-c2ccn(Cc3cccnc3)c2)n2ccccc12 306128179 GTHNMEDVVQCRTJ-UHFFFAOYSA-N 416.529 3.318 0 40 HGAB O=C([C@H]1CCc2[nH]nc(-c3cccc(F)c3)c2C1)N1CCN(c2ccccn2)CC1 306137354 QUDHYGRNJCQQJH-KRWDZBQOSA-N 405.477 3.065 0 40 HGAB Cc1ccsc1/C=C1/SC(=O)N(CC(=O)Nc2ccc3c(c2)OCO3)C1=O 409156873 ONDUEJDNBNYCKF-VIZOYTHASA-N 402.453 3.460 0 40 HGAB O=C(NCC[C@@H](CCO)c1cccs1)C(=O)Nc1ccc(OC(F)(F)F)cc1 575608321 SJQSYPOSPRHFKF-LBPRGKRZSA-N 416.421 3.258 0 40 HGAB Cn1cnc([C@H]2C[C@@]3(CCCN(CC4CC4)C3=O)CN2C(=O)c2cccc(F)c2)c1 585106424 FPPYNMLGBJTDKF-OFNKIYASSA-N 410.493 3.165 0 40 HGAB Cc1nc(C(=O)N2CCCCNC(=O)c3cc(Cl)ccc3OCCCC2)co1 643556735 PJUQZIQVFLNHOD-UHFFFAOYSA-N 405.882 3.461 0 40 HGAB O=C([C@@H]1CN(Cc2csc(-c3ccccc3)n2)CCO1)N1CCC(F)(F)CC1 2086889477 GTWCDENVKFSRLV-KRWDZBQOSA-N 407.486 3.269 0 40 HGAB COc1ccc(Cc2nnc(NC(=O)c3ccc(OC(C)=O)cc3)s2)cc1OC 804691 FLVKAPRVWNAIEM-UHFFFAOYSA-N 413.455 3.324 0 40 HGAB O=C(COC(=O)CCN1C(=O)c2ccccc2C1=O)Nc1cccc2ccccc12 1936186 QHCLNQGIBMFERO-UHFFFAOYSA-N 402.406 3.008 0 40 HGAB CSc1nc(N(CCO)CCO)c2sc3nc(C(C)C)c4c(c3c2n1)CCC4 2447063 QMYKJJQCYVBHHS-UHFFFAOYSA-N 418.588 3.365 0 40 HGAB COc1cc(CCC(=O)OCC(=O)Nc2ccc(F)cc2F)cc(OC)c1OC 3216991 ILHQSUBIVVNIQK-UHFFFAOYSA-N 409.385 3.105 0 40 HGAB COc1cc(C(=O)O[C@H](C)C(N)=O)cc(Br)c1OCc1ccccc1 3433371 QWOJBSPBSJFTSI-LLVKDONJSA-N 408.248 3.067 0 40 HGAB Cc1nc2c(ccc3nc(NC(=O)CN4C(=O)c5ccccc5C4=O)sc32)s1 4174096 ZCWDTLYVUWMVAW-UHFFFAOYSA-N 408.464 3.449 0 40 HGAB O=C(NCc1nnc(SCC(=O)N2CCCc3ccccc32)o1)c1ccccc1 4354154 REDNVJNZXGTVJN-UHFFFAOYSA-N 408.483 3.071 0 40 HGAB COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2cc(Cl)c(N)cc2OC)c1C 4916909 RRZSUSMSEZEJMC-SNVBAGLBSA-N 408.838 3.091 0 40 HGAB CCn1c(S[C@@H](C)C(=O)c2ccc(OC)cc2)nc2cc(S(N)(=O)=O)ccc21 5071572 VQDWSKCTRBJBIV-LBPRGKRZSA-N 419.528 3.076 0 40 HGAB CCS(=O)(=O)c1cccc(C(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C)C3)c1 5241360 WWIJITVOSJNVBT-LLVKDONJSA-N 406.529 3.018 0 40 HGAB CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)OCC(=O)N1[C@@H](C)CCC[C@@H]1C 5506023 KYAAXZPXGXRKKK-ZWOKBUDYSA-N 404.507 3.270 0 40 HGAB CCOC(=O)N1CCN(C(=S)NC(=O)c2sc3ccccc3c2Cl)CC1 5717130 WJVGSJFPXXXHBZ-UHFFFAOYSA-N 411.936 3.344 0 40 HGAB Cc1ccc(-n2nc(C)cc2NC(=O)CSc2nc3nc(C)cc(C)n3n2)cc1 6879951 YLYFILSRWUKDKV-UHFFFAOYSA-N 407.503 3.274 0 40 HGAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)OC(=O)CCN1C(=O)c2ccccc2C1=O 6943897 ZKEBEFPOQGCCNE-CQSZACIVSA-N 404.422 3.277 0 40 HGAB CN(CC(=O)Nc1nc(-c2ccccn2)cs1)S(=O)(=O)/C=C/c1ccccc1 7737647 KEIPESMUZPZFQQ-ZRDIBKRKSA-N 414.512 3.076 0 40 HGAB COc1ccc(N2C[C@@H](C(=O)OCC(=O)c3ccc(C)c(C)c3)CC2=O)c(OC)c1 7881546 ZBTHABGVLRYYKC-KRWDZBQOSA-N 411.454 3.100 0 40 HGAB CC(=O)c1cccc(NC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc(C)cc2)c1 7968722 WKOLFAUGEOYGLP-FQEVSTJZSA-N 400.500 3.380 0 40 HGAB NS(=O)(=O)c1ccc(CNC(=O)Cn2c(-c3ccccc3)cc3ccccc32)cc1 7987688 WLVBURYXWHXKKI-UHFFFAOYSA-N 419.506 3.272 0 40 HGAB CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)N2CCC[C@@H]3CCCC[C@H]32)c1 7989759 ZVPGKCJAPSIUAV-FXAWDEMLSA-N 419.591 3.332 0 40 HGAB CCc1ccc(OC)c(S(=O)(=O)Nc2ccc3c(c2)NC(=O)C(C)(C)CO3)c1 9173785 SYCXKQRYOJJPCN-UHFFFAOYSA-N 404.488 3.416 0 40 HGAB C[C@@H]1CN(C(=O)COc2cc(O)c3c(=O)cc(-c4ccccc4)oc3c2)C[C@@H](C)O1 9486276 GHCWLGOHHUXUIO-HUUCEWRRSA-N 409.438 3.180 0 40 HGAB biogenic COc1ccc(C(=O)N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)cc1S(=O)(=O)NC1CC1 9604268 CMDMUKBAGOZXIO-HDMKZQKVSA-N 406.548 3.225 0 40 HGAB C[C@@]1(c2ccc3c(c2)OCCCO3)NC(=O)N(CC(=O)c2ccc(Cl)s2)C1=O 9871786 SWEQSIVKOBTRPB-IBGZPJMESA-N 420.874 3.213 0 40 HGAB C[C@@H](OC(=O)Cc1n[nH]c(=O)c2ccccc12)C(=O)Nc1cccc(Cl)c1Cl 10912592 HCLZEEIUVSLXHQ-SNVBAGLBSA-N 420.252 3.343 0 40 HGAB Cc1ccccc1NC1=NN=C(c2ccc(CCNS(C)(=O)=O)cc2)CS1 11116518 GSJNFSQEKFOWRG-UHFFFAOYSA-N 402.545 3.006 0 40 HGAB Cc1nn(CC(=O)N2CCC[C@@H](n3c(=O)oc4ccc(Cl)cc43)C2)c(C)c1C 12184511 DEHSSWSTNVSDKT-MRXNPFEDSA-N 402.882 3.233 0 40 HGAB Cc1cccc(-c2nnc(S)n2CC(=O)NCC(=O)Nc2c(C)cc(C)cc2C)c1 12771140 ZTFFLLNLDNTAAV-UHFFFAOYSA-N 423.542 3.222 0 40 HGAB COc1cc(C(=O)Nc2nc(CN3C[C@@H](C)O[C@H](C)C3)cs2)cc(OC)c1OC 12781050 GXFDABWDZNBCCN-CHWSQXEVSA-N 421.519 3.030 0 40 HGAB COc1ccc(NC(=O)[C@H]2CC(=O)N(CCc3c[nH]c4ccc(OC)cc34)C2)cc1 12863263 ATPZHFBBQYICDI-INIZCTEOSA-N 407.470 3.215 0 40 HGAB CCOc1ccc(Br)cc1S(=O)(=O)NCCCN1CCC(C)CC1 12872862 IIVJRHYEHTYYSV-UHFFFAOYSA-N 419.385 3.248 0 40 HGAB FC(F)(F)c1nc(NCCCN2CCN(c3ncccn3)CC2)c2ccccc2n1 12890461 DKBYMJGFVHKWLZ-UHFFFAOYSA-N 417.439 3.063 0 40 HGAB Cn1cc(-c2cc(C(=O)N3CCC[C@@H]([C@H]4CC(=O)c5cc(F)ccc5O4)C3)on2)cn1 13265511 QPAALWRCLYOWMP-ZUOKHONESA-N 424.432 3.100 0 40 HGAB NC1=NC(SCC(=O)Nc2cccc(Cl)c2)=N[C@H](c2c[nH]c3ccccc23)N1 13579218 NLZRGGFTFMXGJE-QGZVFWFLSA-N 412.906 3.466 0 40 HGAB COc1ccc(C(=O)NCc2ccccc2)cc1S(=O)(=O)NCCc1ccccc1 13581749 FFFQMXPWRACMLE-UHFFFAOYSA-N 424.522 3.146 0 40 HGAB Cc1nc2nc(N)nn2c(C)c1CCC(=O)N[C@H](C)c1ccc(Cl)cc1Cl 14200194 USCSBVJIAMXLEE-SNVBAGLBSA-N 407.305 3.440 0 40 HGAB O=C(COC(=O)c1ccoc1)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 14846378 GTIZOXZHGREOBH-UHFFFAOYSA-N 419.481 3.397 0 40 HGAB CCCn1nc(C(=O)OCC(=O)N(CC)Cc2ccccc2)c2ccccc2c1=O 14905516 JEOQMQIEDOSPBH-UHFFFAOYSA-N 407.470 3.012 0 40 HGAB CCOc1ccccc1NC(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1Cl 15858274 JAHBZGCYSXLMQG-UHFFFAOYSA-N 408.863 3.058 0 40 HGAB COc1ccc(-c2ccccc2C[C@@H]2CN(C(=O)c3cc(C)no3)CCNC2=O)cc1 19119943 HGIXEIDATVIHAD-LJQANCHMSA-N 419.481 3.090 0 40 HGAB COc1ccccc1CC(=O)N[C@H](Cc1cc(O)n2nc(C)cc2n1)c1ccccc1 19129990 IITNIPKEMFLVNZ-HXUWFJFHSA-N 416.481 3.395 0 40 HGAB O=C(CCc1ccccc1)N1CC[C@H](c2nc3c(c(=O)[nH]2)CN(C2CCCC2)CC3)C1 19370660 NDXYHRBOCASWKL-IBGZPJMESA-N 420.557 3.019 0 40 HGAB CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)N3CCOCC3)cc2c1 19522968 YLSHRSVYLWVUJM-OAQYLSRUSA-N 422.533 3.004 0 40 HGAB COc1ccc(N2C[C@@H](NC(=O)C3(c4cc(C)cc(C)c4)CCOCC3)CC2=O)cc1 19662079 SLDXRDOYEWOQAK-FQEVSTJZSA-N 422.525 3.282 0 40 HGAB CCOCc1ccc(C(=O)N2CCC[C@H](c3nc4c(c(NC)n3)CN(C)CC4)C2)cc1 19710457 CVPFABDTBRPGPT-IBGZPJMESA-N 423.561 3.063 0 40 HGAB Cc1ccc(NC(=O)c2cn3cc(Cl)ccc3n2)cc1S(=O)(=O)NC(C)C 19716767 STAQIWNVDZAHHC-UHFFFAOYSA-N 406.895 3.235 0 40 HGAB Cc1ccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CCN2CCOCC2)cc1 20308142 IESJSMNHRWAQCH-NRFANRHFSA-N 422.456 3.118 0 40 HGAB O=C(CNC(=O)c1ccccc1Cl)Nc1ccc(N2CCCC2=O)c(Cl)c1 21130306 LXIGZZVOLFPYEI-UHFFFAOYSA-N 406.269 3.489 0 40 HGAB Cc1ccc2nc(-c3ccc(N4C(=O)C[C@@H](N5CCOCC5)C4=O)cc3)sc2c1 21554732 HCVHNNNZEYHXQM-GOSISDBHSA-N 407.495 3.236 0 40 HGAB Cc1cc(CN2CCN(S(=O)(=O)c3c(C)c(Cl)cc(C)c3Cl)CC2)on1 22245950 GBJYIXLKTKLNOG-UHFFFAOYSA-N 418.346 3.413 0 40 HGAB CCOc1ccc(-n2ccn(CC(=O)Nc3ccc(C(C)C)cc3)c(=O)c2=O)cc1 22725050 ATUVNSABIGIQRY-UHFFFAOYSA-N 407.470 3.160 0 40 HGAB Cn1c(=O)c2ccccc2n2c(CSc3nc(-c4ccc(Cl)cc4)n[nH]3)nnc12 24735014 HJDUEUPZJCNCEK-UHFFFAOYSA-N 423.889 3.312 0 40 HGAB Cc1ccc(N2N=C(C(=O)N(Cc3ccco3)Cc3cccs3)NCC2=O)cc1 25303575 ZZWIEFAFUAZIRM-UHFFFAOYSA-N 408.483 3.128 0 40 HGAB O=C(N[C@@H]1CCCC[C@@H]1N1C(=O)CSC1=O)c1cc(=O)c2cc(Cl)ccc2o1 28284136 JGTMYBZPWUTASX-OLZOCXBDSA-N 420.874 3.183 0 40 HGAB COc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3nc4ccc(C)cc4s3)C2=O)cc1 28818138 IMZUPRHCVSUURC-NRFANRHFSA-N 424.482 3.019 0 40 HGAB COc1ccc([C@H]2c3cc4c(cc3O[C@H](N3CCOCC3)[C@H]2C)OCO4)cc1OC 31860831 ZPZCSHSXNVEFPP-CVRXJBIPSA-N 413.470 3.251 0 40 HGAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)C1CCN(C(=O)OC(C)(C)C)CC1 32740660 CPNPAIQWKMMSKX-UHFFFAOYSA-N 422.478 3.076 0 40 HGAB O=C(Nc1ccc(N2CCOCC2)cc1)[C@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 32795439 LWFWIYTTXDTPLQ-IBGZPJMESA-N 405.498 3.004 0 40 HGAB CCOC(=O)[C@H]1CCCN([C@H](c2ccco2)c2sc3nc(CC)nn3c2O)C1 36104789 IRBPUJOHULTFDG-SWLSCSKDSA-N 404.492 3.016 0 40 HGAB COC(=O)[C@@H](CCSC)NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(Cl)cc1 36584967 PUPYAGPYOHNTNW-NVXWUHKLSA-N 422.938 3.015 0 40 HGAB Cn1c(-c2ccccc2)cnc1NC(=O)c1ccc(OCCN2CCCC2=O)cc1 36752604 WOWLKQUQLKKBIW-UHFFFAOYSA-N 404.470 3.341 0 40 HGAB CC(C)Cn1c(SCc2noc(-c3cccs3)n2)nnc1N1CCOCC1 40012709 YYUSFMIDDRHFAQ-UHFFFAOYSA-N 406.537 3.175 0 40 HGAB O=C(/C=C/c1ccc2c(c1)CCO2)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 40024516 UQYPPSASIWZGQV-VZUCSPMQSA-N 412.511 3.448 0 40 HGAB O=C(Cc1ccc(-n2cccc2)cc1)N(Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 40080006 BPARLPCOKXFMCX-QFIPXVFZSA-N 408.523 3.236 0 40 HGAB O=C(NCc1cccnc1Oc1cccc(F)c1)[C@H]1CCCN(c2cnccn2)C1 40094436 FYSXLHYQBBVNBE-KRWDZBQOSA-N 407.449 3.336 0 40 HGAB CN1CCN(C(=O)c2ccc(CNC(=O)c3ccc4c5c(cccc35)CC4)cc2)CC1 40111508 VEDBLKDFKWTFAL-UHFFFAOYSA-N 413.521 3.256 0 40 HGAB C[C@H](Cc1cccc(Cl)c1)NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 40113121 JMTOLICKNKVLDD-MRXNPFEDSA-N 420.962 3.488 0 40 HGAB Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(Nc4ccccc4)[nH]c(=O)c32)c(C)c1 40399172 BBWHGYGMCCJEBJ-HNNXBMFYSA-N 403.442 3.195 0 40 HGAB O=C(Cc1ccc(-n2cnnn2)cc1)Nc1cc(C(F)(F)F)ccc1N1CCCC1 45955189 LHGWGPHUADAXHP-UHFFFAOYSA-N 416.407 3.463 0 40 HGAB Cc1nccn1-c1ccc(NC(=O)c2ccc(CN3C[C@@H](C)O[C@H](C)C3)cc2)cn1 47275914 RIWOITLIMHWWBS-IAGOWNOFSA-N 405.502 3.437 0 40 HGAB Cc1occc1C(=O)Nc1cc(NC(=O)N[C@H](C)CN2CCCC2=O)ccc1F 48260879 HGHRJQCFNJIFSH-GFCCVEGCSA-N 402.426 3.112 0 40 HGAB COc1ccc2[nH]c3c(c(=O)c2c1)CN(CC(=O)Nc1ccc(C)cc1Cl)CC3 48987841 DQQPNUIQMLRNAA-UHFFFAOYSA-N 411.889 3.495 0 40 HGAB COc1cccc(CNC(=O)c2nnn(-c3cccc(OC)c3)c2-c2cccnc2)c1 49003628 JTLBPANVXAIHBV-UHFFFAOYSA-N 415.453 3.277 0 40 HGAB Cc1ccc(C)c(-c2cc3c(=O)n(CC(=O)NCc4ccc(Cl)cc4)ncn3n2)c1 51317111 FHKLYNFODFFDTI-UHFFFAOYSA-N 421.888 3.145 0 40 HGAB Cc1cccc(OCCNC(=O)N(CCO)Cc2ccccc2Br)c1 58162888 ZMQQUNKSEXEDJH-UHFFFAOYSA-N 407.308 3.340 0 40 HGAB C[C@@H]1CN(c2ccc(NC(=O)N3CCC(C4OCCO4)CC3)cc2F)C[C@@H](C)O1 69200561 KZOUHXLGSOTYIH-HUUCEWRRSA-N 407.486 3.056 0 40 HGAB CC(=O)NCc1cnc([C@@H]2CCCN2C(=O)Cc2ccccn2)cc1C(F)(F)F 72356125 SQOSJXSGACSQMH-SFHVURJKSA-N 406.408 3.038 0 40 HGAB C[C@@H](CN(C)C(=O)CN1CC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1)c1ccccc1 72373099 CYTBWQLIRQCWPO-FPOVZHCZSA-N 422.573 3.021 0 40 HGAB COc1ccc(CC(=O)N2CCCC[C@H]2c2ccnc(Nc3cncnc3)n2)cc1 72377933 VDDHEHAMEDKUGI-FQEVSTJZSA-N 404.474 3.315 0 40 HGAB Cc1cc(=O)c(O)c(C(c2cccc(OC(F)F)c2)c2oc(C)cc(=O)c2O)o1 85876206 ABLKXRHWONATQD-UHFFFAOYSA-N 406.337 3.403 0 40 HGAB biogenic CCOC(=O)CN(Cc1cccc(S(=O)(=O)N(C)C)c1)[C@@H](C)c1ccccc1 95441621 WQSIQAINTBYTDC-KRWDZBQOSA-N 404.532 3.063 0 40 HGAB C[C@H](NCc1ccccc1-n1ccnc1)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 96013570 CZBNFNZDZMBRRF-CVDCTZTESA-N 420.513 3.388 0 40 HGAB CCN1CCn2c(-c3ccccc3)cnc2C12CCN(C(=O)C1CCOCC1)CC2 96037050 LZOLUQCGNBZQNO-UHFFFAOYSA-N 408.546 3.130 0 40 HGAB O=C(CCc1cccnc1)N1C[C@@H]2CN(C3CCN(Cc4ccccc4)CC3)C[C@H]2C1 96245527 HLAUECMPDRJKBI-ZEQRLZLVSA-N 418.585 3.069 0 40 HGAB Cc1cc(NCN2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@H]3C2=O)cc(C)c1Br 100395556 ADAGSCDZPVUSQZ-IZKTWJBDSA-N 401.304 3.488 0 40 HGAB CCOC(=O)c1ccccc1NS(=O)(=O)c1cc2c3c(c1)[C@H](C)C(=O)N3CCC2 101079146 UFSRALLCAUGIDN-ZDUSSCGKSA-N 414.483 3.060 0 40 HGAB CCCOC(=O)c1ccc(NC(=O)COC(=O)C2C[C@H]3CCC[C@H](C2)C3=O)cc1 103138000 IUTODOSFPFNPSW-HZPDHXFCSA-N 401.459 3.131 0 40 HGAB COc1ccc(S(=O)(=O)NCc2cccc(F)c2)cc1C(=O)N1CCCCCC1 113939444 YSZIQOCXCDHNAT-UHFFFAOYSA-N 420.506 3.329 0 40 HGAB CN(c1ccc(Cl)c(C(=O)NCCSCc2ccccc2)c1)S(C)(=O)=O 222491275 DEHFJHHXOXIVJA-UHFFFAOYSA-N 412.964 3.399 0 40 HGAB COC(=O)c1ccc(C)c(NC(=O)CCCN(c2ccccc2F)S(C)(=O)=O)c1 222654022 UKVOVKPZQNMHAT-UHFFFAOYSA-N 422.478 3.106 0 40 HGAB Cc1cc(S(=O)(=O)NCC(C)C)ccc1OCC(=O)N1c2ccccc2C[C@@H]1C 222758834 KZDVSMJCOZLALY-KRWDZBQOSA-N 416.543 3.286 0 40 HGAB CCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CSCc1ccc(OC)cc1 223505855 FEZSRXKMDXBGHZ-QGZVFWFLSA-N 400.544 3.482 0 40 HGAB CC(C)c1ccc(-c2noc(CNS(=O)(=O)c3ccc4c(c3)OCCO4)n2)cc1 223583375 QXXFCAQWBLFSPN-UHFFFAOYSA-N 415.471 3.110 0 40 HGAB Cc1ccc(N(CCCC(=O)NCCOc2ccccc2)S(C)(=O)=O)cc1C 224053387 AKMQRNHTDVTVRC-UHFFFAOYSA-N 404.532 3.045 0 40 HGAB Cc1cccc(CSCCNS(=O)(=O)c2ccc3c(c2)sc(=O)n3C)c1 225673862 AAEUQDMMGXLUOL-UHFFFAOYSA-N 408.570 3.120 0 40 HGAB COC(=O)c1ccc([C@H]2c3sc(=O)[nH]c3S[C@@H]3[C@H]4C[C@@H](C=O)[C@@H](C4)[C@H]23)cc1 227009678 CNBSFPUPNCMFJA-KPRKPIBOSA-N 401.509 3.300 0 40 HGAB COc1cccc([C@]2(O)CCC[C@@H]3CN(S(=O)(=O)c4ccccc4F)C[C@H]32)c1 248257823 UGSOYORNTHRSMM-FQELHTAISA-N 405.491 3.143 0 40 HGAB C[C@@]12C[C@H](c3ccccc3)N(S(=O)(=O)c3ccccc3)[C@@H]1CCC[C@@H](O)[C@@H]2O 257269142 MOTBQUROUQBJEO-CSEOROSGSA-N 401.528 3.103 0 40 HGAB COc1cc(NC(=O)[C@@H](C)N(c2ccccc2)S(C)(=O)=O)c(OC)cc1Cl 408606678 LKYJMZSVMPGDPQ-GFCCVEGCSA-N 412.895 3.150 0 40 HGAB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1 408823188 MXRHXFWXAMGNLT-MRXNPFEDSA-N 404.806 3.489 0 40 HGAB COc1cc(C)ccc1OCc1nnc(SCC(=O)N[C@H]2CCCC[C@@H]2C)n1C 409338931 QWTVWTHALYCTEI-HOTGVXAUSA-N 418.563 3.498 0 40 HGAB O=C1c2ccccc2CN1CCC(=O)N1CCCC2=C[C@H]3C[C@H](CN4CCCC[C@H]34)[C@@H]21 524731784 KMWOXVJLEQBKSZ-KWLZBDKBSA-N 419.569 3.454 0 40 HGAB COC(=O)c1cn([C@H](CC(=O)O)c2ccc(OC)c3ccccc23)cc2c(O)nnc1-2 524733509 PLJJZVHNUWOQGO-QGZVFWFLSA-N 421.409 3.101 0 40 HGAB C[C@H]1CN(c2ccccc2NC(=O)N2CC[C@@]3(C2)C(=O)Nc2ccccc23)C[C@@H](C)O1 681767580 DKPIUHUMJPYEBK-SRGWNRLKSA-N 420.513 3.428 0 40 HGAB O=C(c1noc2c1CCCC2)N1CC[C@@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@@H]21 1889139470 IFLPXSWNRUWYQA-DOMZBBRYSA-N 406.408 3.318 0 40 HGAB O=C(c1ccc(C(F)(F)F)cn1)N1CCC2(CC1)CN(c1ccccc1)C(=O)CO2 2037988378 BLGKYRBHTNTGEG-UHFFFAOYSA-N 419.403 3.139 0 40 HGAB CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)C)N3CCC(C)CC3)cc2c1 782698 ZORMNJNUCSNEBZ-HXUWFJFHSA-N 424.549 3.490 0 40 HGAB COC(=O)c1cc(NC(=O)CN2C(=O)COc3ccc(Cl)cc32)ccc1Cl 811680 GDVMJODQCASFFT-UHFFFAOYSA-N 409.225 3.144 0 40 HGAB O=C(COC(=O)c1cccs1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 3246706 XVIGXLIXAAUONZ-UHFFFAOYSA-N 414.405 3.399 0 40 HGAB CCN1C(=S)N[C@@H](c2ccc(Br)cc2)C(C(=O)OCCOC)=C1C 3263900 MGYSPNWGMPPFDN-HNNXBMFYSA-N 413.337 3.164 0 40 HGAB O=C(CN(Cc1ccccc1)S(=O)(=O)/C=C/c1ccccc1)NCC(F)(F)F 3340288 SFPUETAGYFOMLW-VAWYXSNFSA-N 412.433 3.168 0 40 HGAB CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc2c(c1)OCO2 3436039 PZJGRNZJXRDITF-UHFFFAOYSA-N 400.250 3.377 0 40 HGAB Cc1cccc(NC(=O)Cn2cnc3c(cnn3-c3ccc(Cl)cc3)c2=O)c1C 4165888 XOCHXDQPZSLBIE-UHFFFAOYSA-N 407.861 3.491 0 40 HGAB CC1(C)CC(=O)c2sc(NC(=O)[C@@H]3CC(=O)N(c4ccc(F)cc4)C3)nc2C1 4511083 ZYHNDMZZDJYOEM-LLVKDONJSA-N 401.463 3.429 0 40 HGAB C[C@H](NCCCCN[C@H](C)[C@@H]1COc2ccccc2O1)[C@@H]1COc2ccccc2O1 5357660 OXRDDUYRLVIHPO-VBVDBJQASA-N 412.530 3.403 0 40 HGAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)OC(=O)c1ccccc1NS(C)(=O)=O 5574714 NAOVLHJKEQBILW-CYBMUJFWSA-N 400.456 3.276 0 40 HGAB O=C(COc1ccc(Cl)cc1Br)NC[C@@H]1COc2ccccc2O1 5631038 OZDFNJSPIOBBNJ-GFCCVEGCSA-N 412.667 3.438 0 40 HGAB COC(=O)c1ccc(OC(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1 5879555 BEVOBSMNROERTG-UHFFFAOYSA-N 401.374 3.493 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(N(C)C)c(NC(=O)c2c(F)cccc2F)c1 5930733 SNIHAVTVHGIYRZ-UHFFFAOYSA-N 411.474 3.314 0 40 HGAB COc1ccccc1C(=O)NC(=S)Nc1sc2c(c1C(N)=O)CC[C@H](C)C2 6268185 XWHHPQFEPNHUTH-JTQLQIEISA-N 403.529 3.107 0 40 HGAB CCOC(=O)NC(=O)COC(=O)COc1c(Cl)cc(Cl)c2ccc(C)nc12 6349943 BWKBJJSGXVRAKG-UHFFFAOYSA-N 415.229 3.045 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)N(C)Cc2ccccc2OC)cc1 6559052 QHBBNCXJUJWWSW-DTQAZKPQSA-N 416.543 3.398 0 40 HGAB CCc1ccc(CN(C(=O)[C@H](C)Oc2ccccc2F)[C@@H]2CCS(=O)(=O)C2)cc1 6604252 HIJWIUXBJCOFRF-QFBILLFUSA-N 419.518 3.371 0 40 HGAB CCn1c(CC(=O)Nc2ccccc2F)nnc1SCC(=O)NC1CCCCC1 6674769 ZFZXMLFTCIMPLU-UHFFFAOYSA-N 419.526 3.159 0 40 HGAB O=C(Nc1ccc2c(c1)OCCO2)c1nn(Cc2ccccc2)c(=O)c2ccccc12 6886764 FMKGQASBOSMBFW-UHFFFAOYSA-N 413.433 3.468 0 40 HGAB COc1ccc(C(=O)OCCCOC(=O)c2ccc(OC)c(OC)c2)cc1OC 6887326 VGKVUPXBEAPUBN-UHFFFAOYSA-N 404.415 3.125 0 40 HGAB CCc1ccc([C@H](NCC(=O)Nc2ccc(C)c(S(=O)(=O)NC)c2)C(C)C)cc1 7873030 UYBGEQQKMOLXFE-JOCHJYFZSA-N 417.575 3.391 0 40 HGAB C[C@H]1CCC[C@@H](C)N1C(=O)COC(=O)CNC(=O)c1ccc(Cl)cc1Cl 8137147 NTRDXNWADUFIRX-TXEJJXNPSA-N 401.290 3.056 0 40 HGAB C[C@H](NC(=O)CCS(=O)(=O)c1ccc(F)cc1)c1ccc(-n2ccnc2)cc1 8229655 APNNHSSZAHMUPV-HNNXBMFYSA-N 401.463 3.053 0 40 HGAB O=C(Cn1c(=O)oc2cc(Cl)ccc21)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 8324737 AUKDGCJFJJBAOY-OAHLLOKOSA-N 414.845 3.383 0 40 HGAB CC(C)[C@@H](C(=O)OCCOc1ccc(S(N)(=O)=O)cc1)c1ccc(Cl)cc1 8474548 FUAPUBIREWVTTO-GOSISDBHSA-N 411.907 3.349 0 40 HGAB O=c1[nH]c(SCc2cc(=O)n3ccsc3n2)nc2sc3c(c12)CCCC3 8640178 YRCLDFDKKSTHSH-UHFFFAOYSA-N 402.526 3.225 0 40 HGAB O=C(CSc1ccccc1C(=O)NCc1cn2ccccc2n1)NCc1ccco1 8709558 OAEJWTUDFKNAHB-UHFFFAOYSA-N 420.494 3.266 0 40 HGAB CN(CCS(=O)(=O)c1ccc(Cl)cc1)CC(=O)Nc1ccc(F)c(F)c1F 8878856 ZCQJGMSVVKDDFH-UHFFFAOYSA-N 420.840 3.102 0 40 HGAB O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)Nc1cc(Cl)ccc1Cl 8890463 GQYQDECQCSTYTR-LJQANCHMSA-N 404.253 3.325 0 40 HGAB CCc1nnc(NC(=O)[C@@H]2CC(=O)N(CCc3c[nH]c4ccc(Cl)cc34)C2)s1 9199145 XLOYSFQVJNHPIP-GFCCVEGCSA-N 417.922 3.265 0 40 HGAB Cn1ccnc1C(=O)c1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1 9219660 KBJFPJXLPKLQED-UHFFFAOYSA-N 409.389 3.471 0 40 HGAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCCn3ccnc3)ccc2C)cc1 9526068 MTNPNHCKLNUUBA-UHFFFAOYSA-N 412.515 3.121 0 40 HGAB C[C@@H]1Cc2ccccc2N1C(=O)CSc1nnc(-c2ccc3c(c2)OCCO3)n1C 9668579 FOSVJZMCKAHZSF-CQSZACIVSA-N 422.510 3.323 0 40 HGAB CCN(Cc1ccccc1C(F)(F)F)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 10431364 JCOWDQUNUJYWEW-UHFFFAOYSA-N 418.419 3.212 0 40 HGAB Cc1ccc(C(=O)N(Cc2ccc(Br)o2)[C@@H]2CCS(=O)(=O)C2)cc1 12111584 AQGLTSIMIMZDCS-CQSZACIVSA-N 412.305 3.180 0 40 HGAB COc1ccc(CC(=O)N2CCC(c3noc(-c4cccnc4)n3)CC2)cc1OC 12186926 IYKQMYBQXXTUPZ-UHFFFAOYSA-N 408.458 3.098 0 40 HGAB COc1ccc(Nc2ccc(NC(=O)Cn3[nH]c(=O)c4ccccc4c3=O)cc2)cc1 12554632 HDKBZAHXKNXYBW-UHFFFAOYSA-N 416.437 3.081 0 40 HGAB O=C(CN1C(=O)NC2(CCCC2)C1=O)Nc1cc(Cl)ccc1N1CCCCC1 12605985 KVYWNHHXRQAPIE-UHFFFAOYSA-N 404.898 3.133 0 40 HGAB COc1cccc(CN(C)CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C(F)(F)F)c1 12748397 WFBGYNFJGUFELI-GOSISDBHSA-N 421.419 3.433 0 40 HGAB COc1ccc(NC(=O)CCn2cnc3sc4c(c3c2=O)CCCC4)cc1OC 12750309 JQPJHINMUNBEKZ-UHFFFAOYSA-N 413.499 3.383 0 40 HGAB CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)CCn1c(=O)oc2ccccc21 12808832 MZNJAUDQGNCYSP-UHFFFAOYSA-N 421.375 3.101 0 40 HGAB C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)CSc3ccccc3)cc2)C[C@@H](C)O1 12865604 ILFJRJZLRVEHMR-IYBDPMFKSA-N 420.556 3.215 0 40 HGAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2ccccc2OCC)cc1 13633305 LMMZZXSCIWSTDW-UHFFFAOYSA-N 406.504 3.133 0 40 HGAB O=S(=O)(NCc1ccc(N2CCOCC2)nc1)c1ccc(C2CCCCC2)cc1 14099510 IPYINXFJDKNBEF-UHFFFAOYSA-N 415.559 3.444 0 40 HGAB COc1cc(/C=C/C(=O)N(C)[C@H]2CCS(=O)(=O)C2)cc(Cl)c1OCC(C)C 14227341 HWXRZJRTKZFNMN-NFAHFFEMSA-N 415.939 3.042 0 40 HGAB CCOc1ccc(NC(=O)CN2C(=O)[C@@H](C)N(c3ccc(C)cc3)C2=O)cc1OC 15137953 CFSXRDXCBKZJRM-OAHLLOKOSA-N 411.458 3.198 0 40 HGAB CCCS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc21 15781383 DHKCFRHRUHSXBG-UHFFFAOYSA-N 408.545 3.288 0 40 HGAB COc1ccc(-c2noc(Cn3nc(-c4ccccc4OC)ccc3=O)n2)c(OC)c1 16845947 ITELBAMZIWMXCP-UHFFFAOYSA-N 420.425 3.034 0 40 HGAB Cc1ccc(NC(=O)c2c(N3C(=O)[C@H]4[C@@H]5CC[C@@H](O5)[C@@H]4C3=O)sc3c2CCC3)cc1 17093111 XAOGRONEMHVGDY-QXGSTGNESA-N 422.506 3.464 0 40 HGAB Cc1cc(=O)c(C(=O)NC[C@@H](c2ccco2)N2CCCCC2)nn1-c1ccccc1F 18185900 WLVVDUVJLBMIOK-IBGZPJMESA-N 424.476 3.230 0 40 HGAB Cc1noc(C)c1C(=O)N[C@@H](Cc1cc(=O)[nH]c(C2CCC2)n1)c1ccc(F)cc1 19580196 YMQPHZAPJMOWBO-SFHVURJKSA-N 410.449 3.495 0 40 HGAB C[C@@H](NC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(Cl)cc1 20018993 KMWOXDFCPNCWNH-OAHLLOKOSA-N 422.934 3.381 0 40 HGAB CCCCNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(OCC)c(C)c1 22268073 LMQKDNMRJZSXLK-FQEVSTJZSA-N 418.559 3.200 0 40 HGAB C[C@H]1C[C@@H](C)CN(Cc2csc(NC(=O)Cn3c(=O)oc4ccccc43)n2)C1 22293217 LURTXBSWKGVKQL-OKILXGFUSA-N 400.504 3.168 0 40 HGAB CCCOc1ccc(N(CC(=O)NCCCc2ccc(C)cc2)S(C)(=O)=O)cc1 22394457 KYHBGMFGISNPOX-UHFFFAOYSA-N 418.559 3.299 0 40 HGAB Cc1ccc([C@@H](C)NC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cc1 22519470 LQNWYKGKFNGGBT-ACJLOTCBSA-N 408.907 3.053 0 40 HGAB CCn1c(C)cc(O)c([C@H](c2ccc(F)cc2)N2CCN(c3ccccn3)CC2)c1=O 22697192 MLJKRYXUERMMDU-QHCPKHFHSA-N 422.504 3.328 0 40 HGAB O=C(COc1cccc(N2CCCC2=O)c1)NC[C@@H](c1ccccc1)N1CCCC1 23741010 XQANQWSZAKKRQV-QFIPXVFZSA-N 407.514 3.146 0 40 HGAB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)CSc1ccc2c(c1)OCCO2 24225359 CQYFKVLIDGYDLS-UHFFFAOYSA-N 409.511 3.453 0 40 HGAB CCCN(CC(=O)Nc1ccsc1C(=O)OC)Cc1nnc(-c2cccs2)o1 24773332 KSBQOCVHHLVCFD-UHFFFAOYSA-N 420.516 3.497 0 40 HGAB CCOC(=O)c1sc(NC(=O)CSc2nnnn2-c2cccc(F)c2)cc1C 24788477 IYTYTMQSKOIJAC-UHFFFAOYSA-N 421.479 3.079 0 40 HGAB O=C(CNC(=O)c1ccccc1I)NCCC1=CCCCC1 24991083 GNVZPFOPLQCHOY-UHFFFAOYSA-N 412.271 3.028 0 40 HGAB CN(C)[C@H](CNC(=O)c1occc1CS(=O)(=O)c1ccccc1)c1cccs1 27678788 SDYHRISJBFOKGU-QGZVFWFLSA-N 418.540 3.348 0 40 HGAB CC(C)c1ccc(CN2CCN(C(=O)[C@H]3CCCN(c4cnccn4)C3)CC2)cc1 29756735 TWCVUASOKCYSPT-QFIPXVFZSA-N 407.562 3.161 0 40 HGAB Cc1nn(-c2ncnc3[nH]cnc23)c2c1[C@@H](c1cccc(Br)c1)CC(=O)N2 31811520 YJKPBLUCSWKCHA-GFCCVEGCSA-N 424.262 3.084 0 40 HGAB O=C(Nc1ccccc1F)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 32721131 BSJHRBIQYWKLLY-UHFFFAOYSA-N 415.849 3.157 0 40 HGAB O=C(Cc1csc(NC(=O)c2ccccc2)n1)NCCc1ccc2c(c1)OCO2 32741232 NGFOPMVCSKYHTK-UHFFFAOYSA-N 409.467 3.026 0 40 HGAB CC(=O)N[C@@H](C)c1ccc(C(=O)CSc2ccc(C(=O)N3CCCC3)cn2)cc1 32789473 ZJCPXEPRDCSGAO-HNNXBMFYSA-N 411.527 3.490 0 40 HGAB CCCNC(=O)CCN(c1ccc(OC)cc1)S(=O)(=O)c1cccc(Cl)c1 32962610 GLKNXWBLIICLDM-UHFFFAOYSA-N 410.923 3.460 0 40 HGAB Nc1c(C(=O)NCc2ccccc2)nsc1C(=O)NCc1ccc(F)c(Cl)c1 33171856 IDHVNGVSVWQSFR-UHFFFAOYSA-N 418.881 3.378 0 40 HGAB CCc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)O)cc3)C(O)=NC2=S)cc1 35190024 SEMUWILWBJIJKD-GZTJUZNOSA-N 410.451 3.384 0 40 HGAB CC[C@H](O)C[C@H]1CC[C@H]([C@@H](C)C(=O)O[C@@H](CC)C[C@@H]2CC[C@H]([C@@H](C)C(=O)O)O2)O1 35455958 WGVQPPKZKAJDGR-GZGWCYRGSA-N 414.539 3.311 0 40 HGAB biogenic,in-vitro Cn1nc(NC(=O)Cc2noc3ccccc23)c2c1NC(=O)C[C@H]2c1cccs1 36705624 SNMFVGMYIKWAPB-LBPRGKRZSA-N 407.455 3.278 0 40 HGAB CCOc1ccc(NC(=O)CN(CC)S(=O)(=O)c2cc(C)ccc2OC)cc1 39985669 DUZIPHIVEICXHB-UHFFFAOYSA-N 406.504 3.052 0 40 HGAB CCN(Cc1cccc(S(=O)(=O)N2CCOCC2)c1)[C@H](C)c1cccc(OC)c1 40122946 IGDQLVGRQXJKLH-GOSISDBHSA-N 418.559 3.299 0 40 HGAB CSc1nccn1-c1ccc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)cc1 40135719 RKRNWCXNATUPHZ-UHFFFAOYSA-N 406.511 3.192 0 40 HGAB COc1ccc(-c2csc(NC(=O)[C@@H](C)NC(=O)C3CCCC3)n2)c(OC)c1 40145025 IWKVZUGGVZIUNY-GFCCVEGCSA-N 403.504 3.461 0 40 HGAB CC(=O)Nc1ccc(NC(=O)c2ccc(=O)n(-c3ccc(F)cc3)n2)cc1Cl 47444550 LRWHKDPLWFIGKP-UHFFFAOYSA-N 400.797 3.236 0 40 HGAB O=C(NC1CCN(C(=O)Nc2cccc(CN3CCOC3=O)c2)CC1)c1ccccc1 48366752 FWIOPJNZKHOFNX-UHFFFAOYSA-N 422.485 3.065 0 40 HGAB COc1ccc(C(=O)NCC2(N3CCSCC3)CCCC2)cc1OC(F)F 48974986 CESUJFVVOGBVHE-UHFFFAOYSA-N 400.491 3.388 0 40 HGAB Cc1ccc(-c2noc(CN3N=N[C@H]4C(=O)N(c5cccc(Cl)c5)C(=O)[C@@H]43)n2)cc1 49422344 TUAGTORCVWJZEF-IAGOWNOFSA-N 422.832 3.192 0 40 HGAB C[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc(Cl)cc1)[C@H]1CCCO1 58789192 JFRPREUQBBOJDW-CWFSZBLJSA-N 400.906 3.365 0 40 HGAB COc1cc(/C=C/C(=O)N2CSC[C@H]2C(=O)N2CCCC2)ccc1OC(C)C 65592024 SHXRTFLCBUXUAS-LKUPDRCFSA-N 404.532 3.020 0 40 HGAB CCn1c(SCC(=O)N[C@H](C)c2cccc(OC)c2)nc2cc(C)[nH]c2c1=O 67299437 MQSJXKNUADBMSH-CYBMUJFWSA-N 400.504 3.031 0 40 HGAB CCN(CC)CCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)Cc1ccccc1 72308255 AVEBJSIVMRYUEJ-UHFFFAOYSA-N 424.589 3.306 0 40 HGAB Cc1oc(C2CC2)cc1C(=O)N1CCC2(CC1)C[C@@]1(CO2)NC(=O)c2ccccc2N1 72325332 WFNVXFCSRWZFJQ-DEOSSOPVSA-N 421.497 3.412 0 40 HGAB COc1ccc(CN2CCC(CNC(=O)[C@@H](C)n3nc4ccccc4n3)CC2)cc1 72347502 VFGWNKGVGHRDNC-QGZVFWFLSA-N 407.518 3.029 0 40 HGAB COc1ccc(CN(CC(=O)N(C2CCCC2)C2CC2)c2cnn(C)c2)c(OC)c1 78970100 CSWMDSABEXCOSS-UHFFFAOYSA-N 412.534 3.378 0 40 HGAB CC(C)C(=O)N[C@H]1CCCN(Cc2cc3c(cc2Br)OCCCO3)C1 95464594 DFHMQFBMYVFRRG-HNNXBMFYSA-N 411.340 3.347 0 40 HGAB COc1ccccc1[C@H](NC(=O)c1ccc(-c2nnc(C)n2C)cc1)c1nccn1C 97229123 PVQQDBRTEWUKTH-FQEVSTJZSA-N 416.485 3.052 0 40 HGAB CC(C)C(=O)N1CCc2c(nc3cc([C@@H]4CCCN4C[C@H]4CC=CCC4)nn3c2O)C1 100234354 WJOGFGUCTNGPGA-UWJYYQICSA-N 423.561 3.469 0 40 HGAB Cc1cccc(N2C(=O)C[C@@H](c3c(C)nn(-c4nc5ccccc5[nH]4)c3O)C2=O)c1 101983986 UPCPRYAXIKBZCN-HNNXBMFYSA-N 401.426 3.118 0 40 HGAB O=C([C@H]1C[C@@H]1c1cccs1)N1CCN(C(=O)C2(c3ccccc3)CCOCC2)CC1 108703761 LUQMEBVOJGTUPZ-PMACEKPBSA-N 424.566 3.271 0 40 HGAB O=C(O)COc1c(Cl)cc(/C=c2/sc3nc4ccccc4n3c2=O)cc1Cl 110053270 PVVXJHXBXRUWDJ-VGOFMYFVSA-N 421.261 3.227 0 40 HGAB CC(C)(C)SCCNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 219750171 MHDYZHROACFSRH-OAHLLOKOSA-N 404.985 3.141 0 40 HGAB COc1ccc(C)cc1N([C@@H](C)C(=O)NCCCc1ccc(F)cc1)S(C)(=O)=O 220342833 FHRIKCXYUXYUNW-INIZCTEOSA-N 422.522 3.046 0 40 HGAB Cc1ccc(N([C@H](C)C(=O)NCCSC(C)(C)C)S(C)(=O)=O)cc1Cl 220360823 SUUIOTJVBBKEFY-CYBMUJFWSA-N 407.001 3.451 0 40 HGAB Cc1ccccc1OC[C@H](C)NC(=O)c1cccc(N2CCCCS2(=O)=O)c1 222561611 YKWMNAIQCMCFFG-KRWDZBQOSA-N 402.516 3.122 0 40 HGAB C[C@H](NC(=O)[C@@H](C)N(c1ccc(F)cc1)S(C)(=O)=O)c1ccc2c(c1)CCC2 223187276 WLQOGMJCZWLCIB-LSDHHAIUSA-N 404.507 3.346 0 40 HGAB CC[C@H](C(=O)NCCSC1CCCC1)N(c1ccccc1F)S(C)(=O)=O 223970585 NSSJXFSNTLPFRJ-MRXNPFEDSA-N 402.557 3.162 0 40 HGAB O=C(NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1ccccc1 224354166 PGHSMTRVNMOKDZ-UHFFFAOYSA-N 403.504 3.062 0 40 HGAB COc1ccc(OC[C@H](C)NC(=O)c2cccc(I)c2)cc1 224964724 ZTPOICCFNAWSKS-LBPRGKRZSA-N 411.239 3.497 0 40 HGAB COc1ccc(S(=O)(=O)NCc2nc(-c3cccc(Cl)c3)no2)c(C)c1C 225751675 DTHUYCGWQPBLGV-UHFFFAOYSA-N 407.879 3.494 0 40 HGAB COc1ccc(NC(=O)[C@]23C[C@@H]2CN(c2ccc(Cl)cc2)S3(=O)=O)c(C)c1 225939176 FHDKHKZNYHOWKP-YJYMSZOUSA-N 406.891 3.204 0 40 HGAB Cc1ccccc1N1C(=O)[C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4c(Cl)cccc43)[C@H]2C1=O 248121526 RXVQTQOBVYFGOD-PMECCGAFSA-N 421.884 3.080 0 40 HGAB CCn1c(COc2ccccc2F)nnc1SCC(=O)N[C@@H]1C[C@H]2CC[C@H]1C2 250457283 RWIGTADHRSADJS-OFQRWUPVSA-N 404.511 3.413 0 40 HGAB Cc1ccc(F)c(NC(=O)CN2CC[C@@]3(CCCN3Cc3ccccc3)[C@@H](O)C2)c1 257216143 CTHOIOWNEYECPH-UPVQGACJSA-N 411.521 3.174 0 40 HGAB COc1ccc(-c2ccc3c(c2)S(=O)(=O)N(C)CC2(CCN(C)CC2)CO3)cc1 306138153 RQTXNYOWWGJBDH-UHFFFAOYSA-N 416.543 3.087 0 40 HGAB O=C(CCCCC(=O)N1CCN(c2cccc(Cl)c2)CC1)NCc1ccco1 334160306 AQMVYMOFBMJTFH-UHFFFAOYSA-N 403.910 3.458 0 40 HGAB Cc1cc(S(=O)(=O)N2CCc3ccccc32)ccc1OCC(=O)N1CCCCC1 408586892 CUGJTXMPPOEGOB-UHFFFAOYSA-N 414.527 3.138 0 40 HGAB COC(=O)c1ccc(NC(=O)CN2c3ccccc3-c3ccccc3S2(=O)=O)cc1 408625205 ILIKQTMKTUKNRS-UHFFFAOYSA-N 422.462 3.288 0 40 HGAB COc1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCC(C)CC2)ccc1OC 408700333 DHMFRDPJLCVJNN-UHFFFAOYSA-N 418.515 3.377 0 40 HGAB CCOc1cc(/C=C2\NC(=S)N(C3CCCCC3)C2=O)ccc1OCC(=O)OC 409084090 WLPRDAHJIZRTPJ-WJDWOHSUSA-N 418.515 3.027 0 40 HGAB CCn1c(CNC(=O)c2ccccc2)nnc1SCC(=O)N[C@@H](C)c1ccccc1 409154633 OTHLHXOBJVHOAC-INIZCTEOSA-N 423.542 3.198 0 40 HGAB CCOc1ccc(NC(=O)COc2ccc(S(=O)(=O)N[C@H](C)CC)cc2)cc1 409194507 MNGTYPZKNFLFNG-OAHLLOKOSA-N 406.504 3.180 0 40 HGAB Cc1cc(C)cc(CN2CC[C@]3(COCc4cnc(NCc5cncn5C)nc43)C2)c1 503734105 LNXAELIPEHSISL-XMMPIXPASA-N 418.545 3.113 0 40 HGAB O=C1CCCN1C[C@@H](NC[C@@H](O)COc1ccccc1)c1cccc(C(F)(F)F)c1 539220836 LYRUVBBMHSMZMJ-UYAOXDASSA-N 422.447 3.398 0 40 HGAB O=S(=O)(c1ccc(CNC2(Cc3ccc(F)cc3)CCOCC2)o1)N1CCCC1 550190293 IEDWIFXSXDFAGI-UHFFFAOYSA-N 422.522 3.085 0 40 HGAB CCOC1(c2nc([C@H]3CCCO3)no2)CCN(C(=O)CCc2ccc(C)o2)CC1 583615113 APVRPVBOJVQZBS-QGZVFWFLSA-N 403.479 3.310 0 40 HGAB CCCN1CCN(CC(=O)O)C[C@@H](Cc2ccccc2-c2ccccc2OC)C1=O 585183588 FJPJEFYWLLLSNI-LJQANCHMSA-N 410.514 3.160 0 40 HGAB O=C(CCN1C(=O)NC2(CCCC2)C1=O)N[C@H](Cc1ccccc1)c1cccs1 604850530 ZEHMORHWEOHIHP-QGZVFWFLSA-N 411.527 3.403 0 40 HGAB O=c1ccc(-c2ccc(F)cc2)nn1CC1CCN(Cc2nnc(C3CC3)o2)CC1 1775973090 HRDPXVRZISVJFX-UHFFFAOYSA-N 409.465 3.222 0 40 HGAB CCCOc1c(CN2CCO[C@]3(CCCCN(C(C)C)C3=O)C2)cccc1OC 2037984359 YKUNHGFCVYQGSP-HSZRJFAPSA-N 404.551 3.476 0 40 HGAB CC[C@H](C(=O)OC)n1cnc2sc(C(=O)Nc3ccccc3OC)c(C)c2c1=O 791251 ZWGLMPMZCBIUML-CYBMUJFWSA-N 415.471 3.151 0 40 HGAB C[C@H]1CCc2c(sc3nnn(CC(=O)Nc4ccc(F)c(Cl)c4)c(=O)c23)C1 941415 UXALLKYGOYSWDS-VIFPVBQESA-N 406.870 3.409 0 40 HGAB Cc1nn(-c2ccccc2)c2c1[P@](=O)(N1CCOCC1)N(C)C(c1ccccc1)=N2 3197741 BVIGOWRPYONRFZ-SSEXGKCCSA-N 421.441 3.355 0 40 HGAB O=C(OCc1nc2ccccc2s1)c1cccc(S(=O)(=O)N2CCCC2)c1 3247709 RRDQHFRGODCRDO-UHFFFAOYSA-N 402.497 3.438 0 40 HGAB COc1ccccc1NC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccccc1 3430676 PLKCKWWJQFLHTK-NRFANRHFSA-N 422.506 3.450 0 40 HGAB Cc1cccc(NC(=O)CN2C(=O)N[C@@](C)(c3cccc(Br)c3)C2=O)c1 3593289 BJGXHIHFOAEDCX-IBGZPJMESA-N 416.275 3.163 0 40 HGAB COc1ccc([C@H]2CC(c3cccc(NS(C)(=O)=O)c3)=NN2C(=O)C(C)C)cc1 4036091 MAVFUPYBXPGVDY-HXUWFJFHSA-N 415.515 3.400 0 40 HGAB CCn1c(SCC(=O)Nc2ccc(OC)cc2OC)nnc1-c1ccc(O)cc1 4167521 BJDPPWGCNVJBLW-UHFFFAOYSA-N 414.487 3.419 0 40 HGAB COCCn1c(SCC(=O)c2ccc3c(c2)OCCO3)nnc1-c1ccoc1C 4388360 FWUYLTVSUPUTGL-UHFFFAOYSA-N 415.471 3.239 0 40 HGAB CC(=O)C1=NN(c2cccc(Cl)c2)[C@@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@@H]12 4812492 DQHHZDFTNOCULU-RDJZCZTQSA-N 402.237 3.317 0 40 HGAB CCOc1ccccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccc(CC)cc2)C1 4942503 KMQMLQCJPMRGLC-QGZVFWFLSA-N 410.470 3.183 0 40 HGAB O=C(COc1ccccc1Cl)N(Cc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 5178805 ZDQMUPLIYNNDJK-INIZCTEOSA-N 411.882 3.074 0 40 HGAB CCC[C@@H](C)NC(=O)COC(=O)[C@@H](NC(=O)Cc1cccc2ccccc12)C(C)C 5233275 IVFYEKWFFCDJHL-HXOBKFHXSA-N 412.530 3.371 0 40 HGAB COc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cc(C)ccc3OC)CC2)cc1 6426398 DJNRLOGCBXPUAT-UHFFFAOYSA-N 418.515 3.052 0 40 HGAB CCn1ncc(C2=NO[C@@H](C(=O)N3CCN(c4cc(Cl)ccc4C)CC3)C2)c1C 6802811 ZZTYGZCYRYYIDJ-HXUWFJFHSA-N 415.925 3.015 0 40 HGAB Cc1nc2ccc(C(=O)OCC(=O)N3c4ccccc4NC(=O)C3(C)C)cc2nc1C 6848493 XDUNISZLJUVNKX-UHFFFAOYSA-N 418.453 3.167 0 40 HGAB CCOc1ccccc1C1=N/C(=C\c2ccc(OC(C)=O)c(OC(C)=O)c2)C(=O)O1 6887083 ZPJHQOUKDFNINN-BOPFTXTBSA-N 409.394 3.280 0 40 HGAB C[C@@]1(c2cc(F)ccc2F)NC(=O)N(Cc2cc(Cl)cc3c2OCOC3)C1=O 7007086 IDTHANPEKJZRMI-IBGZPJMESA-N 408.788 3.452 0 40 HGAB CNC(=O)c1ccc(CN(C)CC(=O)Nc2ccc(N3CCCCCC3)cc2)cc1 7255706 RPFGWFOMFSAVKE-UHFFFAOYSA-N 408.546 3.497 0 40 HGAB O=C(Cc1ccc(Cl)cc1)Nc1nnc(S(=O)(=O)Cc2ccccc2)s1 8738789 XLOUFHICQOOYOY-UHFFFAOYSA-N 407.904 3.347 0 40 HGAB CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@@H]2[C@H]2C=CC=NN12 9330113 PBCZZUVKQDBLBP-FPCVCCKLSA-N 420.296 3.323 0 40 HGAB O=C(NCCCn1ccc2ccccc21)c1cccc(S(=O)(=O)N2CCCC2)c1 9469099 LZMWEHFUKBBFDV-UHFFFAOYSA-N 411.527 3.246 0 40 HGAB COc1ccccc1CNC(=O)[C@@H]1CCCN(C(=O)Cc2c[nH]c3ccccc23)C1 9530830 IOAXJWNWVIQARF-GOSISDBHSA-N 405.498 3.274 0 40 HGAB COCCOc1ccc(C(F)(F)F)cc1NC(=O)CN1C(=O)COc2ccccc21 9634847 NGDSQXHWSKKIOD-UHFFFAOYSA-N 424.375 3.095 0 40 HGAB Cc1cc(C)cc(S(=O)(=O)NCCOc2ccc(-c3ccc(F)cc3)nn2)c1 9852961 AWXGCNBZQCOHHU-UHFFFAOYSA-N 401.463 3.257 0 40 HGAB Cc1ccc2c(C)nc(Nc3nc(CSc4nccc(C)n4)cc(=O)[nH]3)nc2c1 9939109 JFQNHSZZOWIBOB-UHFFFAOYSA-N 405.487 3.464 0 40 HGAB COc1ccc(-c2nnc(O)c3c2[C@H](c2ccc(Cl)cc2)n2nnnc2N3)cc1 10295296 ABUODSKRJGHYOH-KRWDZBQOSA-N 407.821 3.192 0 40 HGAB CCCCNS(=O)(=O)c1cccc(NC(=O)c2ccc3c(c2)NC(=O)CS3)c1 11381578 LKSSICXLTBKTHY-UHFFFAOYSA-N 419.528 3.062 0 40 HGAB O=C(Nc1nnc(-c2ccc(Br)s2)o1)[C@@H]1COc2ccccc2O1 11695463 ASHPJEUZRHGDOV-JTQLQIEISA-N 408.233 3.339 0 40 HGAB CCOc1cc(CCC(=O)N2CCCC[C@H]2c2cc3nc(C)c(C)c(O)n3n2)on1 12161625 JGDOACXQTJKYNX-KRWDZBQOSA-N 413.478 3.125 0 40 HGAB CC(C)Oc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NCCCC(=O)O)cc1 12652797 YWJNOOUVWKDHDT-HMMYKYKNSA-N 410.470 3.226 0 40 HGAB biogenic CC[C@@H](C(=O)NCc1ccccc1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 12790055 YVXTZNUNAKIPLH-SFHVURJKSA-N 406.452 3.317 0 40 HGAB Cc1nc(N2CCN([C@H](C(N)=O)c3ccccc3)CC2)c2c3c(sc2n1)CCCC3 12819115 PZSFOHOHWQBKQC-FQEVSTJZSA-N 421.570 3.227 0 40 HGAB COc1cc(COC(=O)Cn2cnc3c(C)cccc3c2=O)ccc1OC(F)F 12825341 IINYXTGTZVGTBN-UHFFFAOYSA-N 404.369 3.058 0 40 HGAB Cc1ccc(C(=O)[C@@H](C)OC(=O)c2cccc(N3CCCS3(=O)=O)c2)cc1C 12888523 KZXFFGQAMSKSFI-MRXNPFEDSA-N 401.484 3.272 0 40 HGAB CSCC[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)N1C(=O)[C@H]2CCCC[C@H]2C1=O 12892428 XOFZJQUELVWZKR-NXPPSXTISA-N 418.603 3.368 0 40 HGAB Cc1cccc(NC(=O)CNC(=O)CCn2c(=O)oc3cc(Cl)ccc32)c1C 12992248 GAHPOVIFOGTXPW-UHFFFAOYSA-N 401.850 3.010 0 40 HGAB CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)[C@@H]1COc2ccccc2O1 13095320 KZDNLYIFRSKPPE-SFHVURJKSA-N 413.861 3.155 0 40 HGAB O=C(Cn1cnc2c([nH]c3ccccc32)c1=O)N1CCC(Cc2ccccc2)CC1 14001098 WZBXLLPKQZFNDZ-UHFFFAOYSA-N 400.482 3.359 0 40 HGAB O=C(Nc1nc2ccccc2s1)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 14015807 YQHUOHVOPPLBMG-ZDUSSCGKSA-N 419.503 3.475 0 40 HGAB O=C([C@H]1CCCN1C(=O)c1cccs1)N1CCN(Cc2ccc(Cl)cc2)CC1 14166090 YWOMGPYYMRDTKH-GOSISDBHSA-N 417.962 3.351 0 40 HGAB Cc1cc(N2CCN(C(=O)COc3ccc(F)cc3Cl)CC2)nc(C(C)C)n1 16103438 ADIMCXXAZMOLBV-UHFFFAOYSA-N 406.889 3.429 0 40 HGAB Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CCC(C)CC3)cc2)cc1 16293276 XPRJIYZCCBJWSE-UHFFFAOYSA-N 402.516 3.433 0 40 HGAB COc1cccc(NC(=O)CSc2nnc(COc3cccc(OC)c3)o2)c1 17227288 MONQNCMEAXNNOM-UHFFFAOYSA-N 401.444 3.397 0 40 HGAB Cc1noc(C)c1COC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1 17747760 PDUWRRUXTDKNBU-OKILXGFUSA-N 406.504 3.315 0 40 HGAB O=C1[C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C(=O)N1c1ccc2ccccc2c1 18096316 MKPIBSLBSTYPPT-IMIIHFCZSA-N 423.472 3.271 0 40 HGAB O=C1[C@@H]2[C@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C(=O)N1c1ccc2ccccc2c1 18167060 MKPIBSLBSTYPPT-ZUVQJFRASA-N 423.472 3.271 0 40 HGAB Cc1ccc(-c2nnc([C@@H]3CCN(S(=O)(=O)c4cccc(Cl)c4)C3)o2)cn1 19215204 JAOCBXYYSBHNNZ-CQSZACIVSA-N 404.879 3.272 0 40 HGAB CCn1cc(S(=O)(=O)N2CCC[C@H](c3nnc(-c4ccc(C)s4)o3)C2)c(C)n1 19524636 GXTFQBVDDTXPKC-AWEZNQCLSA-N 421.548 3.200 0 40 HGAB CCN1CCN(CC2=CCCOC2)C[C@H](Cc2ccccc2-c2cccnc2)C1=O 19527701 MJBTXDRJRJPGOM-QHCPKHFHSA-N 405.542 3.418 0 40 HGAB CCNC(=O)[C@]1(Cc2cc(-c3ccccc3)no2)CCCN(C(=O)c2ccccn2)C1 19528629 DKLRSVCMEGZXIE-DEOSSOPVSA-N 418.497 3.338 0 40 HGAB COc1ccccc1[C@@H](CNCc1cc(-c2ccccc2)cn2nnnc12)N(C)C 19581506 SXAIIJMYPLEQOL-OAQYLSRUSA-N 402.502 3.192 0 40 HGAB Cc1cccc(-c2ccc(CC3(C(N)=O)CCN(C(=O)[C@@H]4CCCO4)CC3)cc2)c1 19700484 UTDACFBLVXAHAU-QFIPXVFZSA-N 406.526 3.478 0 40 HGAB Cc1nn2c([C@@H]3CN(C(=O)CC4CCCC4)CCO3)ccnc2c1Cn1ccnc1C 19707807 KDBXKBDHDQLZER-NRFANRHFSA-N 422.533 3.071 0 40 HGAB CCOC(=O)[C@@](NCc1cccc(C(F)(F)F)c1)(NC(=O)CC)C(F)(F)F 19939229 IYWPSMCNQLMKKH-CQSZACIVSA-N 400.319 3.143 0 40 HGAB CC[C@H](C(=O)NCc1ccc(OC(C)C)cc1)N(c1ccccc1)S(C)(=O)=O 20462238 LLCFNFCPRJNFDU-HXUWFJFHSA-N 404.532 3.335 0 40 HGAB COC(=O)c1[nH]c2cccc(C)c2c1NC(=O)CN1CCN(Cc2ccccc2)CC1 20477330 MTMZHFFEHIBSOB-UHFFFAOYSA-N 420.513 3.019 0 40 HGAB CC(=O)N1CCN([C@H](C(=O)O)c2c[nH]c3ccc(OCc4ccccc4)cc23)CC1 20714372 IELOLKLQQRBLMB-QFIPXVFZSA-N 407.470 3.037 0 40 HGAB COc1ccc(CNC(=O)c2nc(COc3ccc4c(C)cc(=O)oc4c3)no2)cc1 20721454 IRSMYSCXCXUPJT-UHFFFAOYSA-N 421.409 3.002 0 40 HGAB biogenic COCCn1c(SCC(=O)NCCC2=CCCCC2)nnc1-c1ccncc1 20790470 FKFUSCKBTNPZFO-UHFFFAOYSA-N 401.536 3.085 0 40 HGAB CCOc1ccc(N2C[C@@H](C(=O)N(CC)Cc3ccc4c(c3)OCCO4)CC2=O)cc1 21356114 RHJOEZVSJNWMBO-SFHVURJKSA-N 424.497 3.258 0 40 HGAB C[C@H]1CCN(C(=O)COC(=O)c2ccc([S@](C)=O)cc2)c2ccccc2S1 21647205 VLQZMLPUMNPVLF-PGGUUEOZSA-N 403.525 3.498 0 40 HGAB CCc1noc(-c2ccc(NC(=O)[C@H]3CC(=O)N(c4ccccc4OC)C3)cc2)n1 21792493 GNXPJBAQBWXADZ-HNNXBMFYSA-N 406.442 3.299 0 40 HGAB COc1cccc(Cn2nccc2NC(=O)CCc2ccc3c(c2)OCO3)c1OC 21974900 YXHUKHUHLQNZRT-UHFFFAOYSA-N 409.442 3.249 0 40 HGAB CCc1cccc(C)c1NC(=O)c1cc(OC)c(OC)cc1N(C)S(C)(=O)=O 22251266 ZWVHIFVJTWEWEB-UHFFFAOYSA-N 406.504 3.223 0 40 HGAB COc1ccc([C@@H](CNC(=O)c2cc(Cl)ccc2OC)N2CCOCC2)cc1 22402941 YPPVMRPFJYZPHV-LJQANCHMSA-N 404.894 3.161 0 40 HGAB Cc1ccc([C@H](C)NC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cc1 22519493 LQNWYKGKFNGGBT-SCLBCKFNSA-N 408.907 3.053 0 40 HGAB Cc1cccc(NC(=O)CN2CCN(CCC(=O)Nc3cccc(F)c3)CC2)c1C 22931603 HVYYXHKQVUTDEY-UHFFFAOYSA-N 412.509 3.027 0 40 HGAB O=C(OCc1coc(-c2cccs2)n1)c1ccc(S(=O)(=O)NC2CC2)cc1 23062726 VPBRJKLZJDPUNL-UHFFFAOYSA-N 404.469 3.201 0 40 HGAB NC(=O)c1ccc(NC(=O)[C@@H]2CCCN(c3ccc(-c4ccc(F)cc4)nn3)C2)cc1 23142817 WUXWXWBPESKNAZ-QGZVFWFLSA-N 419.460 3.237 0 40 HGAB COc1ccccc1[C@H](CNC(=O)c1cc(=O)c2cc(Cl)ccc2o1)N(C)C 23794666 INWUAVHQKSRWJQ-INIZCTEOSA-N 400.862 3.488 0 40 HGAB CC(=O)c1cccc(NC(=O)C2CCN(S(=O)(=O)Cc3cccc(C)c3)CC2)c1 24612290 BPXQIDBIZJLKNR-UHFFFAOYSA-N 414.527 3.378 0 40 HGAB COc1cc2c(cc1OC)CN(C(=O)CN1CCCc3cc(F)c(F)cc31)CC2 26343736 JJOIYOBMOYWMIF-UHFFFAOYSA-N 402.441 3.320 0 40 HGAB CCn1cc(CNC(=O)[C@@H](C)n2nc(C(F)(F)F)c(Br)c2C)cn1 28229404 ZPYYZSNPWAHFSM-SECBINFHSA-N 408.222 3.067 0 40 HGAB CCCCc1nnc(NC(=O)C2CCN(C(=O)COc3ccccc3)CC2)s1 29028703 CFNNKEQVVZPRAX-UHFFFAOYSA-N 402.520 3.137 0 40 HGAB O=C(NC[C@H](c1ccccc1Cl)N1CCOCC1)c1ccc(Br)o1 29804708 BXMFDKREJLSETK-CQSZACIVSA-N 413.699 3.499 0 40 HGAB O=C(NC[C@H]1COc2ccccc2O1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 30982481 DRJXOOMCRAURGA-KRWDZBQOSA-N 421.419 3.377 0 40 HGAB CC[C@H](NC(=O)CN(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1)c1ccc(Cl)cc1 31181606 CNDPHVWMWOLXAZ-MJGOQNOKSA-N 424.950 3.190 0 40 HGAB COc1ccccc1NC(=O)CCSCc1cccc(S(=O)(=O)N(C)C)c1 32778715 WRRAXLPXTVVJJG-UHFFFAOYSA-N 408.545 3.208 0 40 HGAB CCOC(=O)[C@@H]1CCCN(C(=O)c2cnn(-c3ccccc3F)c2-n2cccc2)C1 32796420 ZDJVSNDFKXFYSQ-MRXNPFEDSA-N 410.449 3.217 0 40 HGAB COc1cc(CS(=O)(=O)[C@H](C)C(=O)N(C)C2CCCCC2)ccc1OC(F)F 32929814 JQISUYRFFNXVHQ-CYBMUJFWSA-N 419.490 3.391 0 40 HGAB COc1ccc(CN(C(=O)[C@@H]2[C@H](C=C(C)C)C2(C)C)[C@@H]2CCS(=O)(=O)C2)cc1 35074158 GCPAZEFEFVJBNE-HOJAQTOUSA-N 405.560 3.449 0 40 HGAB Cc1cccc(C)c1NC(=S)c1c(N)nc(N2CCc3ccccc3C2)[nH]c1=O 40385580 SBYLMOQWFKXEIV-UHFFFAOYSA-N 405.527 3.319 0 40 HGAB CC[C@@H](C)n1c(=O)c2ccccc2n(CC(=O)N[C@H](C)CCc2ccccc2)c1=O 44840389 QPYCTXHMPBZKRZ-QZTJIDSGSA-N 407.514 3.272 0 40 HGAB CS(=O)(=O)N1CC[C@@H](C(=O)NCCCc2ccc(Cl)cc2)Oc2ccccc21 44906445 BAMQYERJUGKBQI-IBGZPJMESA-N 422.934 3.006 0 40 HGAB O=C(NCc1cccnc1OCc1ccccc1)[C@H]1CCCN(C(=O)N2CCCC2)C1 48263847 JSWYLCSTWFXMBN-NRFANRHFSA-N 422.529 3.205 0 40 HGAB O=C(O)c1cc2ccccc2cc1NS(=O)(=O)c1ccc(N2CCCC2=O)cc1 48302864 LPQPWAWQZPDGHK-UHFFFAOYSA-N 410.451 3.466 0 40 HGAB C[C@@H](Cc1cccc(Cl)c1)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1 48363119 SDBFDDUQBPQVIE-KXBFYZLASA-N 406.935 3.241 0 40 HGAB CSCC[C@@H](NC(=O)CCn1cnc2ccccc2c1=O)c1nc2ccccc2[nH]1 50966635 JAWPUGSHJKHSQS-LJQANCHMSA-N 421.526 3.274 0 40 HGAB O=C1CCCN1CCCN1COc2c(Cl)cc3c4c(c(=O)oc3c2C1)CCC4 57142710 PULMSEQMRGJEFO-UHFFFAOYSA-N 402.878 3.100 0 40 HGAB Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)cc1 58115520 RHBICCBXSQNTOZ-UHFFFAOYSA-N 422.514 3.135 0 40 HGAB CCCOC(=O)c1ccc(NC(=S)NC(=O)c2ccc3nsnc3c2)cc1 59294217 FCFYSGNBKJFHSG-UHFFFAOYSA-N 400.485 3.385 0 40 HGAB Cc1cccc(Cn2nc3n(Cc4cccs4)c(=O)c4sccc4n3c2=O)c1 64946480 HKTQJXWDULBLMI-UHFFFAOYSA-N 408.508 3.339 0 40 HGAB COc1ccccc1S(=O)(=O)Cc1ccc(OC)c(OC)c1Br 65522230 GRELQKUVAIYYDQ-UHFFFAOYSA-N 401.278 3.449 0 40 HGAB COc1ccc(N2C(=O)C[C@H](c3ccc4c(c3)OCO4)c3sc(=O)n(C)c32)cc1 66089695 JRQJDCARNIAUHM-OAHLLOKOSA-N 410.451 3.384 0 40 HGAB Cc1nc(-c2cccc(F)c2)n(CC(=O)Nc2cccc(Cl)c2)c(=O)c1CCO 67316748 ORZUZNWHIPUDCP-UHFFFAOYSA-N 415.852 3.185 0 40 HGAB N[C@H](C(=O)NCC1CCC(c2ccnc(Nc3ncccn3)n2)CC1)c1ccccc1 72380014 NMJOVTIISUQYDJ-UHYCVJNDSA-N 417.517 3.100 0 40 HGAB C[C@H](C(=O)NC1CCN(CC2(c3cccc(F)c3)CCCC2)CC1)N1CCCC1=O 72393446 BKBXFFHRWDGOJJ-GOSISDBHSA-N 415.553 3.229 0 40 HGAB C[C@@H]1CN(CCCCNC(=O)C2(c3ccc(Br)cc3)CC2)C[C@@H](C)O1 79050767 KKBNLXVHYOBVHM-HZPDHXFCSA-N 409.368 3.486 0 40 HGAB CCCOc1ccc(C(=O)NC[C@H](c2cccs2)N2CCOCC2)cc1OC 89960324 XWOKYFBOCYZPDF-QGZVFWFLSA-N 404.532 3.349 0 40 HGAB O=C(NCC/N=C(\O)c1ncccc1O)C1(c2ccc(Br)cc2)CCC1 95394624 NABKMTWZGCGFFH-UHFFFAOYSA-N 418.291 3.092 0 40 HGAB O=S(=O)(c1cnc(Cl)c(Cl)c1)N1CCCC[C@@H]1c1nnc2n1CCCC2 95454365 NXDCJAJZNYQLRW-CYBMUJFWSA-N 416.334 3.232 0 40 HGAB CCOc1ccc([C@@H](N)c2nc(-c3cc(Br)ccc3O)n[nH]2)cc1OC 95534279 VMZJXZVMIXGGHU-MRXNPFEDSA-N 419.279 3.395 0 40 HGAB C[C@@H](CNC(=O)C1=NO[C@]2(CCN(Cc3ccc4c(c3)OCO4)C2)C1)c1ccccc1 96225728 FDVNYAVAXFCJSU-BXKMTCNYSA-N 421.497 3.056 0 40 HGAB O=C(Nc1cc(C(F)(F)F)ccc1F)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 97135413 NPHWRKRDNAHFFK-QWHCGFSZSA-N 424.416 3.045 0 40 HGAB COc1ccc(C(=O)N2CCN(c3cc(-c4ccc(F)cc4)n[nH]3)CC2)cc1OC 98211791 YWAUQTLLSNXPCV-UHFFFAOYSA-N 410.449 3.195 0 40 HGAB Cc1cc(Cl)ccc1OCC(=O)Nc1nc2[nH]c(-c3ccccc3)cc(=O)n2n1 100650768 VLYZRHGJWXKJGD-UHFFFAOYSA-N 409.833 3.064 0 40 HGAB COc1ccc2c(c1)[C@H]1C[C@](C)(O2)N(C)C(=O)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 100894331 FYFHGMWBQDVCQU-KPFFTGBYSA-N 421.902 3.245 0 40 HGAB COc1ccc(C2=NO[C@@H]3C(=O)N(c4cc(Cl)ccc4Cl)C(=O)[C@H]23)cc1OC 101309846 FISDRHQVSQCEJT-WBVHZDCISA-N 421.236 3.303 0 40 HGAB CC(=O)N/C(=C/c1ccccc1)C(=O)OCC(=O)Nc1ncc(Cl)c(C)c1Cl 104371280 UJNUQXNSTLRBHO-OVCLIPMQSA-N 422.268 3.356 0 40 HGAB CN(Cc1nc(-c2ccccc2)no1)C(=O)c1cc(NS(C)(=O)=O)ccc1Cl 219285129 PUKRNBKHVAWHGZ-UHFFFAOYSA-N 420.878 3.034 0 40 HGAB COc1cccc(N(C)C(=O)CCc2ccc(S(=O)(=O)N3CCCC3)cc2)c1 222887995 SFLXTVPWOZEGME-UHFFFAOYSA-N 402.516 3.075 0 40 HGAB Cc1ccc(S(=O)(=O)N(C)CC(=O)NCCOc2ccccc2C(C)(C)C)cc1 223706055 PGNUVLMTMHWDCD-UHFFFAOYSA-N 418.559 3.108 0 40 HGAB Cc1ccc(Cl)cc1N([C@@H](C)C(=O)NCCc1ccc(F)cc1)S(C)(=O)=O 224044618 JTHFJCLYRXAVFW-AWEZNQCLSA-N 412.914 3.301 0 40 HGAB CS(=O)(=O)N1CCc2cc(C(=O)N3CCS/C3=C/c3cccs3)ccc21 225232954 LEDHHHXTJROITH-SFQUDFHCSA-N 406.554 3.258 0 40 HGAB Cc1cc(NCN2C(=O)[C@@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@H]3C2=O)cc(C)c1Br 226388930 ADAGSCDZPVUSQZ-NWHWRWDZSA-N 401.304 3.488 0 40 HGAB CC(=O)c1cccc(S(=O)(=O)NC[C@@](O)(c2ccsc2)c2cccs2)c1 238922623 UFIVMUYFJJRDDI-GOSISDBHSA-N 407.538 3.227 0 40 HGAB C[C@]1(O)CCN(CC(=O)Nc2ccc(OC(F)F)cc2)C[C@@H]1Oc1cccc(F)c1 257286648 PMJOYLUGNQACKS-RXVVDRJESA-N 424.419 3.270 0 40 HGAB CSc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H](C)CCc2ccccc2)cc1 260841070 JERZZUKMBNXTGB-MRXNPFEDSA-N 406.573 3.167 0 40 HGAB Cc1ccc(C)c(N([C@H](C)C(=O)NCCOc2ccc(C)c(C)c2)S(C)(=O)=O)c1 260850812 RFDQGAOEEJGRTP-LJQANCHMSA-N 418.559 3.270 0 40 HGAB COC(=O)N1Cc2nnc(-c3cccs3)n2C2(CCN(Cc3ccco3)CC2)C1 306135535 OUEXKMIXZMPZTQ-UHFFFAOYSA-N 413.503 3.173 0 40 HGAB CCOc1ccccc1NC(=O)COc1ccc(S(=O)(=O)NC(C)C)cc1C 408527380 DJMLYKBPZLQQBY-UHFFFAOYSA-N 406.504 3.098 0 40 HGAB C[C@@H]1C=CC[C@H]2C(=O)N(c3ccc(C(=O)Nc4ccc(C(=O)O)cc4)cc3)C(=O)[C@H]12 408667667 CDNDWQIMLKPNLL-UPRAQXHNSA-N 404.422 3.339 0 40 HGAB CC1=CC[C@@H]2C(=O)N(c3ccc(C(=O)Nc4cccc(C(=O)O)c4)cc3)C(=O)[C@H]2C1 408679833 HEJYJPUFVSFISC-OALUTQOASA-N 404.422 3.483 0 40 HGAB COc1cc(C)ccc1OCc1nnc(SCC(=O)Nc2nc(C)cs2)n1C 409331719 OQBGPWKTIWWLDR-UHFFFAOYSA-N 419.532 3.207 0 40 HGAB CCCCCNC(=O)CN1CC[C@]2(O)CCCC[C@H]2[C@@H]1c1ccc2c(c1)OCO2 504499885 XFEVYGOFGKAHNI-OFAXGOBFSA-N 402.535 3.390 0 40 HGAB biogenic CC[C@@H]1CO[C@H](C)CN1C(=O)CC1(CC(=O)N2C[C@@H](C)OC[C@H]2CC)CCCC1 517189122 HKLQSKJOOWEXFM-UAFMIMERSA-N 408.583 3.379 0 40 HGAB O=S1(=O)CC[C@@H](CNC(=S)Nc2nc(-c3ccc(Cl)cc3)cs2)C1 575422357 BMLOUEVWKQCRMD-JTQLQIEISA-N 401.966 3.185 0 40 HGAB O=C(NCc1ccc(-c2ccco2)o1)C(=O)Nc1cccc(N2CCCCC2=O)c1 575609541 DGHDMRPYHJJTRK-UHFFFAOYSA-N 407.426 3.311 0 40 HGAB CC(C)N1CCC(N2CCC(c3c(C(=O)N(C)C)sc4nccnc34)CC2)CC1 1615154968 LNDDTWCEFPYIMO-UHFFFAOYSA-N 415.607 3.445 0 40 HGAB COc1cccc(C(=O)N2CCC(Cn3c(C)nc4ccccc4c3=O)CC2)c1OC 1848600782 RMLIGWMSPFOECG-UHFFFAOYSA-N 421.497 3.275 0 40 HGAB COc1ccc(N(CC(=O)N2CCCCC2)S(=O)(=O)c2ccc(C)cc2)cc1 821420 AAVZLTYBKGXRBV-UHFFFAOYSA-N 402.516 3.211 0 40 HGAB COC(=O)c1sc(NC(=O)CSc2nnc3ccc4ccccc4n23)nc1C 1924296 OYKALKXRJFWRMG-UHFFFAOYSA-N 413.484 3.165 0 40 HGAB COc1cc(-c2noc(CCCC(=O)NCc3ccccc3)n2)cc(OC)c1OC 2204551 CGQJSQGNCUUDLF-UHFFFAOYSA-N 411.458 3.402 0 40 HGAB O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccc2ncsc2c1 2633934 YBPAKABJZJWHFE-UHFFFAOYSA-N 411.468 3.139 0 40 HGAB CC(C)[C@H](NC(=O)c1ccccc1)C(=O)OCC(=O)Nc1ncc(Cl)cc1Cl 3222086 XKCGSTLHZYPMBH-INIZCTEOSA-N 424.284 3.325 0 40 HGAB CN(Cc1c(F)cccc1Cl)C(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 3439934 IIOORXDPJRANHC-ZDUSSCGKSA-N 418.852 3.262 0 40 HGAB COc1ccc(C(C)=O)cc1CN1C(=O)N[C@@](C)(c2ccc(OC(F)F)cc2)C1=O 3464485 VGURFWFPJORNPK-NRFANRHFSA-N 418.396 3.466 0 40 HGAB COc1cccc(C(=O)N[C@@]2(C(F)(F)F)NC(=O)N(c3ccc(C)c(C)c3)C2=O)c1 3626799 OPJPKPJJGRSDPV-LJQANCHMSA-N 421.375 3.057 0 40 HGAB COc1ccc(-c2nnc3ccc(SCC(=O)Nc4nc(C)cs4)nn23)cc1 4164985 YDSPTHAHBHQMQO-UHFFFAOYSA-N 412.500 3.296 0 40 HGAB C[C@H]1CCN(C(=O)CN2C(=O)N[C@@]3(CCCC[C@H]3C)C2=O)c2ccccc2S1 4514802 GGFKATDCBPMOHP-LRAJWGHMSA-N 401.532 3.405 0 40 HGAB COc1cccc(-c2nnc(S[C@@H](C)C(=O)Nc3ccc4c(c3)OCO4)n2C)c1 4520778 KQBLFPYAHVUABM-LBPRGKRZSA-N 412.471 3.339 0 40 HGAB Cn1c(CCNC(=O)c2ccccc2F)nnc1SCCOc1ccccc1 4816127 YQVPDDCEEHCDIW-UHFFFAOYSA-N 400.479 3.098 0 40 HGAB COCCCN1C(=O)N(c2ccc(F)cc2)C(=O)[C@H]1CC(=O)Nc1ccc(F)cc1 5274790 HVNRJGUEXBMMEY-GOSISDBHSA-N 417.412 3.167 0 40 HGAB CC(C)c1ccc(-n2nnnc2SCC(=O)c2ccc3c(c2)NC(=O)CO3)cc1 7559933 XSEGZDMISSWVLS-UHFFFAOYSA-N 409.471 3.092 0 40 HGAB Cc1nc(S[C@@H](C)c2ccc(F)cc2)c2c(=O)n(C)c(=O)n(CC(C)C)c2n1 8753406 VUMZPWKBBCLWGX-LBPRGKRZSA-N 402.495 3.447 0 40 HGAB COc1ccc(C)cc1NC(=O)[C@@H]1CC(=O)Nc2nc(SCc3ccccc3)nn21 9427137 VQODDXPGLPTNDA-INIZCTEOSA-N 423.498 3.409 0 40 HGAB O=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccc(Cn2cccn2)cc1 10642028 FDINWVAFXHFRPA-UHFFFAOYSA-N 424.526 3.358 0 40 HGAB O=C(C[C@@H]1CCCCN1S(=O)(=O)c1ccccc1)NCCCc1ccccc1 11612575 DUNGWFRSTARQOA-FQEVSTJZSA-N 400.544 3.369 0 40 HGAB COC(=O)c1ccc(NC(=O)CSc2ccc(NC(=O)c3ccccc3)nn2)cc1 11737786 LLUUCHYHNCBTAB-UHFFFAOYSA-N 422.466 3.246 0 40 HGAB CCOc1cc(N2CCN(C(=O)Nc3cc(Cl)ccc3OC)CC2)nc(C)n1 12223981 ZADXDJSVTYFDMP-UHFFFAOYSA-N 405.886 3.200 0 40 HGAB O=C(Nc1cc(Cl)ccc1N1CCOCC1)[C@@H]1CCCN(C(=O)c2ccco2)C1 12521618 CXSMWVXJPPHTRV-OAHLLOKOSA-N 417.893 3.261 0 40 HGAB CCOc1ccccc1C(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 12758863 VZEQUFXGONMVLM-UHFFFAOYSA-N 402.516 3.190 0 40 HGAB Cc1c(C(=O)Nc2ccc(-n3cnnn3)cc2)cnn1-c1cccc(C(F)(F)F)c1 12823203 QVZSXYYVCSQJKG-UHFFFAOYSA-N 413.363 3.428 0 40 HGAB CC(C)CCCCCCNC(=O)c1cc(S(N)(=O)=O)ccc1Br 13005385 BJFMBSZMWFEJTI-UHFFFAOYSA-N 405.358 3.433 0 40 HGAB COc1ccccc1CCNC(=O)[C@H]1CCCN(C(=O)c2ccc3cc[nH]c3c2)C1 13689828 ABWGNVBDGVTPGE-FQEVSTJZSA-N 405.498 3.388 0 40 HGAB Cc1ccc(/C=C/C(=O)N(CC(C)C)[C@@H]2CCS(=O)(=O)C2)c(Br)c1 14197413 LTWVWARAOQWOJQ-FYCOFBDGSA-N 414.365 3.442 0 40 HGAB O=C(NCCc1ccccc1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 15344789 VQQXEMQZXHURLV-UHFFFAOYSA-N 406.935 3.100 0 40 HGAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)CCc1nc(-c2ccsc2)no1 15588533 QAUMEVZUFLZLAK-UHFFFAOYSA-N 417.443 3.173 0 40 HGAB O=C(Nc1ccccc1)[C@H]1[C@@H]2C=C[C@@]3(CN(CCc4c[nH]c5ccccc45)C(=O)[C@@H]13)O2 15894263 YEVPHJIBDVTKJC-FUCAVZNHSA-N 413.477 3.131 0 40 HGAB biogenic O=C(COc1ccc(N2CCCC2=O)cc1)OCc1cc(Cl)c2c(c1)OCCO2 16963231 LTMVGMMYVFNQDX-UHFFFAOYSA-N 417.845 3.360 0 40 HGAB Cc1ccccc1-c1noc([C@@H]2CN(S(=O)(=O)c3cccc(Cl)c3)CCO2)n1 19237526 HYFAFBORBMKBKK-KRWDZBQOSA-N 419.890 3.461 0 40 HGAB NC(=O)[C@]1(Cc2ccccc2-c2ccncc2)CCN(C(=O)COc2ccccc2)C1 19373398 HGCRJEJXMNQERB-VWLOTQADSA-N 415.493 3.074 0 40 HGAB CC(C)c1cc(C(=O)NC2CCN(Cc3cc(-c4ccccc4F)nn3C)CC2)n[nH]1 19451951 QQLOUKLRXVKIRK-UHFFFAOYSA-N 424.524 3.467 0 40 HGAB COc1cccc([C@@H]2CN(C(=O)CN3CCCC[C@@H]3C)C[C@H]2c2csnn2)c1 19496347 YIKNDKBGGIAACV-ZYSHUDEJSA-N 400.548 3.131 0 40 HGAB Cc1ncc(C(=O)N2CCC[C@H](c3nc(C)c4c(n3)N(CC3CC3)CCC4)C2)c(C)n1 19706895 GXJPJRFRAHVYFS-IBGZPJMESA-N 420.561 3.374 0 40 HGAB CC(=O)N[C@H]1C[C@@H](CCNC(=O)c2cccc(N(C)C)c2)O[C@@H](c2ccccc2)C1 19712448 HRURCVMSJSQNCM-MDNUFGMLSA-N 409.530 3.298 0 40 HGAB Cc1cc(Br)ccc1S(=O)(=O)N1CCN(c2ccccc2F)CC1 19943545 NDDCYVZBPBXZMX-UHFFFAOYSA-N 413.312 3.408 0 40 HGAB CCN(CC(=O)Nc1ccc(F)c(F)c1F)S(=O)(=O)c1ccc(Cl)cc1 20014127 JEWUCTOYCCWOQD-UHFFFAOYSA-N 406.813 3.407 0 40 HGAB CS(=O)(=O)N(CC(=O)NCc1ccc(F)cc1)Cc1ccc(Cl)c(Cl)c1 20015449 KABMGFBVFHGMOO-UHFFFAOYSA-N 419.305 3.211 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)N(C)Cc1ccc(C)cc1 20491553 HQIGFEIWRHPRSB-UHFFFAOYSA-N 416.543 3.450 0 40 HGAB CS(=O)(=O)N1C[C@@H](C(=O)NC2CCCCCCC2)Oc2ccc(Cl)cc21 20492550 LNOYEEXEIMMIJQ-KRWDZBQOSA-N 400.928 3.096 0 40 HGAB CCn1c(CCC(=O)Oc2ccc(C)cc2)nc2cc(S(=O)(=O)N(C)C)ccc21 21196142 ASLTYOAJWISQAD-UHFFFAOYSA-N 415.515 3.153 0 40 HGAB COc1cc(CNn2cn[nH]c2=S)cc(Br)c1OCc1cccnc1 22111507 QQOBBTSLVMHGCD-UHFFFAOYSA-N 422.308 3.429 0 40 HGAB CCCN(C(=O)c1cc(-c2ccccc2)nc2onc(C)c12)[C@@H]1CCS(=O)(=O)C1 22316636 SBVXJZNAZMVXPD-MRXNPFEDSA-N 413.499 3.238 0 40 HGAB Cc1cccc2c(=O)n(CCC(=O)NCc3ccc(OCC(F)(F)F)cc3)cnc12 22418311 XVNKODBTWFFIFP-UHFFFAOYSA-N 419.403 3.353 0 40 HGAB CC[C@@H](NS(=O)(=O)c1ccc(OC)c(C(=O)N2CCCC2)c1)c1ccccc1 22513726 ZAROZZSVNHBXBT-LJQANCHMSA-N 402.516 3.361 0 40 HGAB CCOC(=O)C1CCN([C@@H](c2ccccc2F)c2sc3nc(C)nn3c2O)CC1 22626238 QUGMFKLALZNCCV-INIZCTEOSA-N 418.494 3.308 0 40 HGAB O=C(CCc1ccc2c(c1)OCCO2)OCc1cc(=O)n2c(n1)sc1ccccc12 24760315 CZLQKCYPMXPWLD-UHFFFAOYSA-N 422.462 3.356 0 40 HGAB O=C(c1ccc2c(c1)OCCO2)C1CCN(C(=O)c2cccnc2N2CCCC2)CC1 26133071 AUJNBLRPSKAUCH-UHFFFAOYSA-N 421.497 3.188 0 40 HGAB O=C1NC2(CCCC2)C(=O)N1CN1CCN(Cc2ccc(-c3ccccc3)s2)CC1 26635539 PNFQMVQQVMHKHR-UHFFFAOYSA-N 424.570 3.355 0 40 HGAB C[C@@H](CNS(=O)(=O)c1cccc(Br)c1)N1CCc2sccc2C1 26839768 WEHRIAFTYSIHLV-LBPRGKRZSA-N 415.378 3.236 0 40 HGAB Cc1cc(C)c(NC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)c(C)c1 30754898 ILMYHZUVKDJYJU-KRWDZBQOSA-N 408.907 3.431 0 40 HGAB O=C(Cn1cccnc1=O)Nc1ccc(Oc2ccc(Br)cc2)cc1 32675034 RWDVQASJRKBDMV-UHFFFAOYSA-N 400.232 3.437 0 40 HGAB CC(=O)Nc1ccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(C)s2)cc1C 32753787 YDQYXEAAUMKTLW-QGZVFWFLSA-N 421.544 3.115 0 40 HGAB CC(=O)N[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1)c1ccccc1 32983462 MISXWBWDTAWJBV-MRXNPFEDSA-N 417.391 3.492 0 40 HGAB CCCCOc1ccc(/C=C/C(=O)N2CCN(C(=O)C3CC3)CC2)cc1OCC 32988589 CFHWXJOHZMUGCC-YRNVUSSQSA-N 400.519 3.358 0 40 HGAB COc1ccc(-c2nn3c(=O)cc(CNC(=O)Nc4ccccc4)nc3s2)cc1 32996062 XKJNNNRICSCKGA-UHFFFAOYSA-N 407.455 3.148 0 40 HGAB CCN(CC)c1nc2ccsc2c(=O)n1CCC(=O)NCc1ccc(F)cc1 33308870 JJGOEWSYIYCOCD-UHFFFAOYSA-N 402.495 3.150 0 40 HGAB COc1cc(NC(=O)[C@@H]2CC(=O)N([C@@H]3CCC[C@H](C)[C@H]3C)C2)cc(OC)c1OC 37207244 GCEMVBADOQUYPQ-KLZNWCGWSA-N 404.507 3.324 0 40 HGAB O=C(CO)N1CCC(c2[nH]nc(-c3ccc(Cl)cc3F)c2-c2ccncn2)CC1 38629567 IGGNAIYXGIUMQZ-UHFFFAOYSA-N 415.856 3.025 0 40 HGAB Cc1ccc(CNC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(C(C)(C)C)ccc3O2)cc1 38848797 HJMWRSHDCQIWFS-FQEVSTJZSA-N 416.543 3.136 0 40 HGAB O=C(Nc1cc(C(F)(F)F)c[nH]c1=O)N1CCN(c2cccc(Cl)c2)CC1 40158639 OGHJGJPXEKRGLJ-UHFFFAOYSA-N 400.788 3.401 0 40 HGAB C[C@@H](CCc1ccccc1)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1F 40160442 YYPNVERGVYUAQO-LPHOPBHVSA-N 404.507 3.116 0 40 HGAB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NC(=O)NCc3cccnc3)cc2)C1 43398085 OMUPWKJHYKDHIR-HZPDHXFCSA-N 402.520 3.070 0 40 HGAB CC[C@@H](NC(=O)[C@@H]1CN(S(C)(=O)=O)c2ccccc2O1)c1ccc(C)c(C)c1 44856572 BIBQRUPGRXEGLL-XLIONFOSSA-N 402.516 3.098 0 40 HGAB Cc1ccc([C@H](C)NC(=O)[C@@H]2CCN(S(C)(=O)=O)c3ccccc3O2)c(C)c1 44935102 AZACBHAGSHCEPH-JXFKEZNVSA-N 402.516 3.098 0 40 HGAB O=C(Nc1cccc(NC(=O)[C@H]2CCCN(C(=O)N3CCCC3)C2)c1)c1cccnc1 48344896 OYFYPXDUBRIEHV-SFHVURJKSA-N 421.501 3.200 0 40 HGAB COc1ccccc1N1CCN(Cc2cc(=O)oc3cc(O)c(Cl)cc23)CC1 54147567 QBKBEGYVFWEXFP-UHFFFAOYSA-N 400.862 3.483 0 40 HGAB biogenic CN(Cc1nc2ccccc2[nH]1)C(=O)[C@@H]1CS[C@@]2(c3ccccc3)CCC(=O)N12 58004259 SIESYARRZUPILH-PGRDOPGGSA-N 406.511 3.112 0 40 HGAB O=C1N[C@H](CCc2ccccc2)C(=O)N1C[C@@H](O)COc1cccc2ccccc12 58007651 NSRVXZHCCWQKOX-TZIWHRDSSA-N 404.466 3.133 0 40 HGAB CCOCCOc1c(Cl)cccc1NCC(=O)NCc1ccc2c(c1)OCO2 60186558 UKAIRQMOWDPKFN-UHFFFAOYSA-N 406.866 3.212 0 40 HGAB O=c1c2sccc2n2c(=O)n(Cc3ccccc3F)nc2n1CCc1ccccc1 64946325 NMKIILZVELJJSP-UHFFFAOYSA-N 420.469 3.303 0 40 HGAB Cc1nc(-c2cccc(Cl)c2)n(CC(=O)N(C)c2ccccc2)c(=O)c1CCO 67301632 YRQUJNUGNNASKL-UHFFFAOYSA-N 411.889 3.070 0 40 HGAB O=C(Nc1nnc(C2CC2)s1)c1ccc(Cl)c(N2CCCCS2(=O)=O)c1 71280256 ORTFLJBQHULGAD-UHFFFAOYSA-N 412.924 3.251 0 40 HGAB COc1cccc(CNC(=O)c2cn(-c3ccc(-c4nc(C5CC5)no4)cn3)cn2)c1 71768266 BOTDEXQBZZDJKL-UHFFFAOYSA-N 416.441 3.133 0 40 HGAB Cc1nc(S(=O)(=O)Nc2cc(F)c(OC3CCCCC3)cc2C(=O)O)cn1C 72301052 RFJLZTTXTOEVRE-UHFFFAOYSA-N 411.455 3.078 0 40 HGAB C[C@H]1C[C@H](C)CN(C(=O)CN2CCC(n3c(=O)oc4ccc(Cl)cc43)CC2)C1 72347895 ZGAFNPPHHRUPKE-GJZGRUSLSA-N 405.926 3.389 0 40 HGAB Cn1cc(CN2CCO[C@@H](c3c(C(N)=O)sc4ncccc34)C2)c2ccccc21 72370232 GABOCQHRXUPJLV-GOSISDBHSA-N 406.511 3.460 0 40 HGAB COc1ccc(-c2nc(CCNC(=O)c3ccc(-n4ccnc4C)nn3)cs2)cc1 77197112 ZBXOPVXDKDZXNT-UHFFFAOYSA-N 420.498 3.075 0 40 HGAB COCc1ccc(C(=O)N2CC[C@H](N(C(=O)c3ccc(COC)cc3)C3CC3)C2)cc1 89420323 SLNPESNZYCNROB-QHCPKHFHSA-N 422.525 3.499 0 40 HGAB O=C1CC[C@@H]2CN(S(=O)(=O)Cc3cccc(C(F)(F)F)c3)CC[C@@H]2N1C1CC1 95449618 WBZNTOVWNYNLOZ-PBHICJAKSA-N 416.465 3.011 0 40 HGAB Cc1cccc(NC(=O)CN2N=N[C@H]3C(=O)N(c4ccc(C(C)C)cc4)C(=O)[C@@H]32)c1C 96286238 JUSHDLQADJKNTH-NHCUHLMSSA-N 419.485 3.359 0 40 HGAB COc1cc(CNCC2(N[C@@H](C)c3ccccc3)CCOCC2)cc2c1OCCO2 97002585 DSWFZCRDDVWXDO-SFHVURJKSA-N 412.530 3.456 0 40 HGAB CCc1ccccc1Nc1nc(N)nc(COC(=O)C2C[C@@H]3CCC[C@@H](C2)C3=O)n1 100901904 HHFHPRUAMGMGIO-GJZGRUSLSA-N 409.490 3.198 0 40 HGAB Cc1cc2c(cc1C)N(CC(=O)Nc1ccc(C(N)=O)cc1)C(=O)[C@@H]1CCCC1=N2 101398928 JIOWSGLCKZLNME-QGZVFWFLSA-N 404.470 3.260 0 40 HGAB CCOc1ccc(Cl)cc1/C=C1\NC(=O)N(Cc2ccc(C(=O)OC)o2)C1=O 108046882 KUMAQBYFCGWHTL-ZROIWOOFSA-N 404.806 3.211 0 40 HGAB O=C(NCCc1c[nH]c2ccccc12)[C@H](C(=O)c1ccc(F)cc1)n1ccccc1=O 199411874 PSFXJGKBDGCKIM-QFIPXVFZSA-N 417.440 3.252 0 40 HGAB C[C@@H](C(=O)N1CCC(Cc2ccccc2)CC1)N(c1ccccc1F)S(C)(=O)=O 220301366 SGIOQPZISDNTOB-KRWDZBQOSA-N 418.534 3.462 0 40 HGAB CCOc1ccc(N([C@@H](CC)C(=O)Nc2cccc(C(C)=O)c2)S(C)(=O)=O)cc1 220672578 WGULRJNAKBIYHF-FQEVSTJZSA-N 418.515 3.471 0 40 HGAB CN(C)CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1Cc1cccnc1 223218698 SXXBELILSLTARD-YADHBBJMSA-N 420.586 3.251 0 40 HGAB CCNC(=O)c1cc(S(=O)(=O)N(C)Cc2ccc(C(C)C)cc2)ccc1OC 223880484 ZJPQFDPPAVKXKX-UHFFFAOYSA-N 404.532 3.389 0 40 HGAB Cc1cccc(CS(=O)(=O)N2CCC(C(=O)NC[C@@H](C)c3ccccc3)CC2)c1 224349425 JJGVFMIHGBPSFJ-LJQANCHMSA-N 414.571 3.457 0 40 HGAB CS(=O)(=O)Nc1ccc([C@@H]2CC(=O)c3cc4c(cc3-n3cccc32)OCCO4)cc1 225382373 IHDZSLHTZMFSEE-INIZCTEOSA-N 424.478 3.338 0 40 HGAB CNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)Cc1ccc(OC)cc1 225465222 VBVJYSBYKMHQJW-CQSZACIVSA-N 419.319 3.164 0 40 HGAB CCc1ccc(CC)c(CNC(=O)[C@H](C)N(c2ccccc2F)S(C)(=O)=O)c1 225689780 XUVVWXVLQGIEID-HNNXBMFYSA-N 406.523 3.421 0 40 HGAB CN(C)c1ncc2c(n1)[C@]1(CCN(Cc3cccc(-c4ccc(F)cc4)n3)C1)COC2 248088105 DWDGASWCAMRNEP-DEOSSOPVSA-N 419.504 3.418 0 40 HGAB Cc1ccccc1Cc1cccc([C@H]2CN(Cc3cnc(N(C)C)nc3)CCO2)n1 257234179 GSMFLVXEFLUJFS-HSZRJFAPSA-N 403.530 3.410 0 40 HGAB Cc1nc([C@H]2CCCN(C(=O)c3ccncc3)C2)nc(C)c1CC(=O)NC1CCCC1 257256935 KNLPMWUFQALHJT-IBGZPJMESA-N 421.545 3.110 0 40 HGAB Cc1cc(Cl)ccc1NC(=O)CNC(=O)C(=O)Nc1cccc(C(F)(F)F)c1 408556021 YSYCPUZMPOBHFO-UHFFFAOYSA-N 413.783 3.361 0 40 HGAB C[C@H](C(=O)O)N1C(=O)[C@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 408670944 YOTXEOIPMAPHDO-MNCXUPHISA-N 416.260 3.053 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)NCc1ccccc1 408701944 HPVJPKVHWMREMK-UHFFFAOYSA-N 402.516 3.046 0 40 HGAB O=C(Nc1cccc(Br)c1)c1ccc(N2C(=O)c3nccnc3C2=O)cc1 408975506 LDRDNRBEWVGXFX-UHFFFAOYSA-N 423.226 3.292 0 40 HGAB COc1ccc([C@@H]2[C@H](NC(=O)c3cccc(C)c3)C(=O)N/[N+]2=C\c2ccccc2)cc1 409055335 DVIADEMLQWEBPA-HFXBMHRVSA-O 414.485 3.020 0 40 HGAB O=C1N/C(=C\c2cc3c(cc2Br)OCO3)C(=O)N1Cc1ccccc1 409235048 NPVXJRGIEHKJDJ-NSIKDUERSA-N 401.216 3.271 0 40 HGAB O=C1[C@H]2[C@H]3C[C@H]4[C@@H]2[C@@]2(C(=O)N5CCC(c6cccc(Br)c6)CC5)[C@@H]4[C@H]3[C@@H]12 505237116 CAIKKAYXXHVGBF-FHWFMTMASA-N 412.327 3.482 0 40 HGAB CN1Cc2cccc(-c3cnc4n3CCN(C(=O)COCc3ccccc3)CC4)c2C1 585111548 VHMBGMOPRKSIML-UHFFFAOYSA-N 416.525 3.097 0 40 HGAB CC(C)(C)c1ccc(OC[C@@H]2CCN(C(=O)c3ccc(N4CCOCC4)cc3)C2)nn1 1888870090 ORHQVHZYZGIBNP-GOSISDBHSA-N 424.545 3.152 0 40 HGAB CN(C)S(=O)(=O)c1ccc(C(=O)NCCc2ccc(-c3ccco3)s2)cc1 2086896804 IPIPWNVHAUOACH-UHFFFAOYSA-N 404.513 3.231 0 40 HGAB COc1ccc(OC)c(S(=O)(=O)N2CCC(C(=O)Nc3ccc(C)cc3)CC2)c1 811785 HVHUZMFUFMCBJY-UHFFFAOYSA-N 418.515 3.052 0 40 HGAB C[C@@H](CC(=O)Nc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1)c1ccccc1 815604 UJVXFANTWQJGTE-LPHOPBHVSA-N 402.516 3.276 0 40 HGAB O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)[C@@H]1COc2ccccc2O1 916398 HKOTYAKEPYZKHN-FQEVSTJZSA-N 410.451 3.266 0 40 HGAB COc1ccc(Cl)cc1NC(=O)Cn1nnc2sc3c(c2c1=O)CCCC3 958518 PTJDPMXPJSVESE-UHFFFAOYSA-N 404.879 3.033 0 40 HGAB COc1cc(/C=c2/sc3nc4ccccc4n3c2=O)cc(Cl)c1OC(C)=O 1152270 FZKSRSHXFHOHTN-CXUHLZMHSA-N 400.843 3.044 0 40 HGAB CC(C)[C@@H](C(=O)OCC(=O)Nc1ccccc1Cl)N1C(=O)c2ccccc2C1=O 1916960 QIVLOGMSGDBUDC-SFHVURJKSA-N 414.845 3.143 0 40 HGAB COC[C@@H](C)n1c(C)cc(C(=O)CSc2nnc(-c3cccs3)n2N)c1C 2630839 CYKHDJSECNYYPD-GFCCVEGCSA-N 405.549 3.321 0 40 HGAB COc1ccc(C(=O)CSc2nc(=O)cc(N)n2-c2cccc(C)c2)cc1OC 2736012 AVDIZZWRYGZJMM-UHFFFAOYSA-N 411.483 3.115 0 40 HGAB Nn1c(SCC(=O)Nc2nc(-c3ccc(F)cc3)cs2)nnc1C(F)(F)F 3373067 URVMQOXRFRSLSN-UHFFFAOYSA-N 418.401 3.004 0 40 HGAB CCCn1c(=O)c2ccccc2n2c(SCC(=O)Nc3ccccc3C)nnc12 3375693 OIJWLUGBUGCUPE-UHFFFAOYSA-N 407.499 3.493 0 40 HGAB CCCC[C@H](C)C[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CC(=O)CCCCC(=O)OC 3812893 BBRBUTFBTUFFBU-LHACABTQSA-N 410.551 3.379 0 40 HGAB in-man COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)OCc1c(C)noc1C 4166598 VSAJCXCOANWJHO-UHFFFAOYSA-N 422.503 3.222 0 40 HGAB O=C(CSc1nnc(Cc2ccccc2)o1)Nc1ccc(N2CCOCC2)cc1 5689482 DPVGIHWSKGTBHB-UHFFFAOYSA-N 410.499 3.228 0 40 HGAB CC(=O)c1cccc(S(=O)(=O)Nc2cc3c(cc2Br)OCCO3)c1 6589479 GMHWCSWRHXXMSC-UHFFFAOYSA-N 412.261 3.224 0 40 HGAB CCCOc1cccc(C(=O)N(Cc2cccc(F)c2)[C@H]2CCS(=O)(=O)C2)c1 6810993 VELBJHJKIVDSSR-IBGZPJMESA-N 405.491 3.444 0 40 HGAB Cc1ccc(OCC(=O)N(Cc2ccccc2F)[C@@H]2CCS(=O)(=O)C2)cc1C 6811070 WUELOKFDTYZHIR-GOSISDBHSA-N 405.491 3.037 0 40 HGAB Cc1ccc(C)c(SCC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)c1 6998353 VGAJGUNGUIJKGE-UHFFFAOYSA-N 420.556 3.055 0 40 HGAB O=C1CCc2cc(S(=O)(=O)Nc3ccc4c(c3)OC3(CCCC3)O4)ccc2N1 7421671 JBTNRHARZGKMNH-UHFFFAOYSA-N 400.456 3.414 0 40 HGAB Cc1ccc(C2=NN(C(=O)CN(C)CC(=O)NC(C)(C)C)[C@@H](c3ccco3)C2)cc1 7660085 WJYAJVQUOPWSKN-LJQANCHMSA-N 410.518 3.112 0 40 HGAB CCOc1ccc(S(=O)(=O)N2CCN(c3ccccc3C)CC2)cc1OCC 7907782 VYAILCTYKBKHLG-UHFFFAOYSA-N 404.532 3.303 0 40 HGAB O=C(Cc1n[nH]c(=O)c2ccccc12)N1CCC[C@@H](c2nc3ccccc3s2)C1 7942655 OQEJKGLRQHFHIR-CQSZACIVSA-N 404.495 3.482 0 40 HGAB O=C1NC2(CCCC2)C(=O)N1CC(=O)N1CCCC[C@@H]1c1nc2ccccc2s1 8076244 MQSJJYQVUFKSPR-OAHLLOKOSA-N 412.515 3.215 0 40 HGAB O=C(Nc1ccc(Cl)cc1)[C@@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1 8313035 HJXVDEUJLHRZAY-CYBMUJFWSA-N 403.891 3.140 0 40 HGAB Cc1ccc(-c2csc(NC(=O)CSc3nnnn3C[C@@H]3CCCO3)n2)cc1 8329070 DDTVJZWDTTYCID-AWEZNQCLSA-N 416.532 3.015 0 40 HGAB Cc1cc(CSc2ccccc2C(=O)OCC(=O)N2C[C@H](C)O[C@@H](C)C2)on1 8478083 FNRSLVRTMOKYNH-GJZGRUSLSA-N 404.488 3.068 0 40 HGAB CC[C@H](Oc1ccccc1OC)C(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1 8478351 WWCIRWUJMJQKKJ-APWZRJJASA-N 412.486 3.400 0 40 HGAB O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)Nc1ccc(Cl)c(Cl)c1 8890439 GYSWQFPRRZVKCW-LJQANCHMSA-N 404.253 3.325 0 40 HGAB O=C(Nc1cccc2ncccc12)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 9305688 ACKBRPBRCYDYKI-OAHLLOKOSA-N 413.474 3.413 0 40 HGAB C[C@@H]1Sc2ccc(C(=O)N(C)CC(=O)Nc3ccc(Cl)cc3)cc2NC1=O 9514936 YITWXENXAQINBQ-NSHDSACASA-N 403.891 3.483 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccccc3C)C2)cc1C 9974347 QKHJCAJAVTWDNO-QGZVFWFLSA-N 402.516 3.351 0 40 HGAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccc(C(N)=O)cc3)c2C)cc1 10329489 OBQDOTGSEZIUPW-UHFFFAOYSA-N 423.494 3.455 0 40 HGAB CCOc1ccc(CC(=O)N2CCC[C@@H]([C@@H]3C[C@H](C(F)F)n4ncnc4N3)C2)cc1 12182046 RMMQMAQFLQWSDS-BPQIPLTHSA-N 419.476 3.149 0 40 HGAB CCn1c(=O)c2ccccc2n2c(Cn3c(C(F)(F)F)nc4ccccc43)nnc12 12544576 KUEIPKCULQBCDB-UHFFFAOYSA-N 412.375 3.481 0 40 HGAB O=C(CCN1CCN(c2cccc(Cl)c2)CC1)Nc1ccc2c(c1)OCCO2 12557346 APCRYIZJMOPVCE-UHFFFAOYSA-N 401.894 3.262 0 40 HGAB COc1ccc(CN2CCc3nc4cc(-c5ccoc5C)nn4c(O)c3C2)cc1CO 12667186 MOXYSNXFBGICKW-UHFFFAOYSA-N 420.469 3.063 0 40 HGAB COC(=O)c1ccc(NCC(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)cc1 12747353 AWVVSZLUCVHDNQ-UHFFFAOYSA-N 419.363 3.123 0 40 HGAB Cc1nnc(S[C@H](C(=O)N2CCOCC2)c2ccccc2)n1Cc1ccccc1 12808825 MUHBWMYMCYDSMK-FQEVSTJZSA-N 408.527 3.327 0 40 HGAB CN1N=C(C(=O)Nc2ncc(Cc3ccccc3Br)s2)CCC1=O 12917769 XMWZQVFSWYITHI-UHFFFAOYSA-N 407.293 3.043 0 40 HGAB O=C(Nc1ccccc1O)C1CCN(C(=O)c2ccc(OC[C@@H]3CCCO3)cc2)CC1 12987589 YHDNTUGHODBIOV-FQEVSTJZSA-N 424.497 3.441 0 40 HGAB C[C@@H](CCc1ccccc1)NS(=O)(=O)c1ccn(S(=O)(=O)c2ccccc2)c1 13585828 OREPCQUYFOQLEO-KRWDZBQOSA-N 418.540 3.025 0 40 HGAB CSCC[C@H](NC(=O)CNC(=O)c1ccccc1F)c1nc2ccccc2[nH]1 14095848 IEUIMURHTKVJTB-KRWDZBQOSA-N 400.479 3.042 0 40 HGAB CCS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1 14097534 YIQIYPMQHHDFFA-UHFFFAOYSA-N 409.407 3.180 0 40 HGAB COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)N1CCC[C@@H](C)C1 15419583 UQHOZVXQMPKBEI-MRXNPFEDSA-N 414.527 3.319 0 40 HGAB CC(C)[C@@H](c1nnnn1Cc1ccco1)N1CCN(Cc2ccc(Cl)cc2)CC1 19446071 ZFRVUDFTTJNEDE-FQEVSTJZSA-N 414.941 3.483 0 40 HGAB COc1ccc([C@@H](c2nnnn2C(C)C)N2CCN(c3ccccc3OC)CC2)cc1 19454667 AWOIRIJKVMKMCX-QFIPXVFZSA-N 422.533 3.183 0 40 HGAB Cc1ccccc1NC(=O)CSc1nnc(CN2CCOCC2)n1-c1ccccc1 19798742 OYIAGWKBUPVBPN-UHFFFAOYSA-N 423.542 3.139 0 40 HGAB CCOc1ccccc1CNC(=O)[C@@H](CC)N(c1ccc(C)cc1)S(C)(=O)=O 20111075 PKVBTTHVMSMUSW-LJQANCHMSA-N 404.532 3.255 0 40 HGAB COC(=O)c1ccc(NC(=O)N2CCc3nc[nH]c3[C@@H]2c2ccc3c(c2)OCO3)cc1 20760629 HTMQNXKFVOHCKH-FQEVSTJZSA-N 420.425 3.105 0 40 HGAB biogenic CCOC(=O)c1cccc(NC(=O)CN(c2ccccc2C(C)C)S(C)(=O)=O)c1 22395695 OYLARXKOLKGPBY-UHFFFAOYSA-N 418.515 3.391 0 40 HGAB CCOc1cccc(CNC(=O)CN(c2c(C)cc(C)cc2C)S(C)(=O)=O)c1 22396774 XWLHJDWXWXIQQA-UHFFFAOYSA-N 404.532 3.093 0 40 HGAB C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)CCCNC(=O)NC1CCCCC1 22971150 NXUYAQKFAZAAHK-QGZVFWFLSA-N 412.538 3.199 0 40 HGAB C[C@@H](C(=O)N(Cc1ccc2c(c1)OCO2)C1CCCC1)N1C(=O)c2ccccc2C1=O 23229352 WRCYGKDKWAYYDC-HNNXBMFYSA-N 420.465 3.371 0 40 HGAB O=C(c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1)N1CCOc2ccccc21 24586221 KEINLRRCQKWXBE-UHFFFAOYSA-N 404.463 3.040 0 40 HGAB O=C(N[C@@H]1CCSc2ccc(F)cc21)[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 24634467 UZOQOQBRPTUJOJ-BLLLJJGKSA-N 414.458 3.261 0 40 HGAB CC(=O)NCc1ccc(S(=O)(=O)NCCSc2ccc(Cl)cc2)s1 25874125 RQRCWOPQLUVMKO-UHFFFAOYSA-N 404.966 3.108 0 40 HGAB Cc1ccc([C@H](NC(=O)Cn2c(=O)[nH]c3ccccc3c2=O)c2ccccc2)cc1C 29023180 SDSCNUZJMVJTLT-HSZRJFAPSA-N 413.477 3.212 0 40 HGAB Cc1oc2c(C)c3oc(=O)c(CCC(=O)N4CCC[C@@H]4C(N)=O)c(C)c3cc2c1C 32123864 LGSQPEDTXODPRH-GOSISDBHSA-N 410.470 3.182 0 40 HGAB biogenic O=C(NCC[C@H]1CCCO1)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 32754824 KAWWOHSBMNAUDW-MRXNPFEDSA-N 414.955 3.204 0 40 HGAB CCOC(=O)N1CCC(C(=O)NCc2ccc(CN3CCC(C)CC3)cc2)CC1 32769512 SIEVYHWCLCRRMQ-UHFFFAOYSA-N 401.551 3.403 0 40 HGAB CC(C)CN(C(=O)CCn1nnc2ccccc2c1=O)c1nc2ccccc2s1 32836530 MOHIKQNWGZTOAJ-UHFFFAOYSA-N 407.499 3.481 0 40 HGAB CC(C)[C@@H](NC(=O)c1c(F)cccc1F)C(=O)N1CCN(c2ccccc2)CC1 32975843 AMDOJLYYWXAJLB-HXUWFJFHSA-N 401.457 3.068 0 40 HGAB C[C@H]1CCCC[C@H]1NC(=O)CC[C@H]1N=C(O)N(CCc2c[nH]c3ccccc23)C1=O 36601811 JCHMEGONFIBRDV-QKYXUNIQSA-N 410.518 3.310 0 40 HGAB COc1nn(C)cc1C(=O)Nc1ccc(C(=O)NC23CC4CC(CC(C4)C2)C3)cc1 38671342 PAIHCMDKMYLMDB-UHFFFAOYSA-N 408.502 3.380 0 40 HGAB COc1ccc(CN(C(=O)CSc2nc3sccc3c(=O)n2C)C2CC2)cc1 39983545 KWQWULLJCGDWQM-UHFFFAOYSA-N 415.540 3.287 0 40 HGAB CSc1ccc(N2C[C@@H](C(=O)OCC(=O)N(C)Cc3ccsc3)CC2=O)cc1 40051523 FHMXDNFNHNPJRE-HNNXBMFYSA-N 418.540 3.025 0 40 HGAB CCCc1nnc(NC(=O)[C@@H]2CC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)s1 40130659 PSVACDHZIDDKDR-GFCCVEGCSA-N 412.437 3.497 0 40 HGAB COc1ccc(NC(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)cc1S(=O)(=O)N(C)C 40141351 JVSNNWYGJBTMIH-RYUDHWBXSA-N 408.442 3.253 0 40 HGAB Cc1nnc(NC(=O)[C@@H]2c3ccccc3C(=O)N(C)[C@@H]2c2ccc3c(c2)OCO3)s1 40267312 WSAMXEFVIJPCMT-QZTJIDSGSA-N 422.466 3.124 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@@H](C)c3ccc(C)cc3)C2)cc1 44885263 OPMSFPHJQLVQTM-HKUYNNGSSA-N 416.543 3.282 0 40 HGAB COCCN(C(C)=O)c1nc(C)c(C(=O)Nc2nc3ccc(OC)cc3s2)s1 44889642 UFGUPFKSOBNOFT-UHFFFAOYSA-N 420.516 3.321 0 40 HGAB C[C@H](SCc1cccc(S(=O)(=O)N(C)C)c1)C(=O)N1CCc2ccccc21 45090044 AVQAZKHAELBVOG-HNNXBMFYSA-N 404.557 3.148 0 40 HGAB O=C(CSc1nc2ncccn2n1)N1N=C(c2ccco2)C[C@H]1c1cccs1 45873743 ZGSIRLSYPWWKRA-ZDUSSCGKSA-N 410.484 3.249 0 40 HGAB Cc1ccc(-c2noc(CCCN3CCCN(C(=O)c4ccccn4)CC3)n2)cc1F 48299533 QSPWYOHVGHZCQD-UHFFFAOYSA-N 423.492 3.360 0 40 HGAB COc1cc(/C=C/C(=O)NCCO)cc(Br)c1OCc1cccc(C)c1 62715489 OTLKAPVWPDVWQL-VOTSOKGWSA-N 420.303 3.467 0 40 HGAB Cc1c(C(=O)NCc2ccccc2)cnn1-c1ccc(-c2nc(C3CC3)no2)cn1 65251496 HLTRENUQGKQOII-UHFFFAOYSA-N 400.442 3.433 0 40 HGAB COc1ccc(N2C[C@@H](C(=O)N3CCc4[nH]c5ccc(OC)cc5c4C3)CC2=O)cc1 72324894 PARYBVMXJNLVOU-HNNXBMFYSA-N 419.481 3.123 0 40 HGAB biogenic C[C@@H]1CCCN(C(=O)c2csc(-c3cnn(C)c3)n2)[C@H]1CNC(=O)OC(C)(C)C 78992203 XJUZXZPWXCEBQE-CJNGLKHVSA-N 419.551 3.309 0 40 HGAB O=C(NCc1nc(-c2ccccc2)n[nH]1)c1c(F)cccc1I 84564671 CRUCMSISVBEKGK-UHFFFAOYSA-N 422.201 3.145 0 40 HGAB COc1cc(NC(=O)c2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)cc(OC)c1 89929835 YZYLNCCZVCOIHH-HNNXBMFYSA-N 418.515 3.377 0 40 HGAB CCc1cc(S(=O)(=O)NCc2nc(-c3ccccc3Cl)no2)ccc1OC 95470733 GVMKCCISALWPRY-UHFFFAOYSA-N 407.879 3.440 0 40 HGAB COc1ccc(Cc2n[nH]c(NC(=O)c3cc(C(C)C)nc4c3c(C)nn4C)n2)cc1 95472414 OFFXVOHEABXUAQ-UHFFFAOYSA-N 419.489 3.370 0 40 HGAB Cn1c(NS(=O)(=O)c2ccc(-c3ccc(Br)cc3)cc2)nccc1=O 95944140 FLYZJHWGOBIVGU-UHFFFAOYSA-N 420.288 3.011 0 40 HGAB CCN(CC)C(=O)C[C@@H]1CC2(CCN(C(=O)c3ccnnc3)CC2)Oc2ccccc21 96053488 WJDPGVAEFOOIGS-LJQANCHMSA-N 422.529 3.276 0 40 HGAB COC(=O)c1ccc(C(=O)N2[C@H]3CC[C@@H]2CC(S(=O)(=O)c2ccccc2)C3)cc1 96099576 CILXXCFVXYIHLN-UFRUDQCGSA-N 413.495 3.083 0 40 HGAB Cc1ccc(NCc2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccc(Cl)cc2)cc1 96306558 VVFVMSDQTMVIKA-UHFFFAOYSA-N 409.877 3.046 0 40 HGAB CC(=O)N1CCc2ccccc2[C@H]1/C(C(=O)Nc1ccccc1F)=C(\O)NC=S 101039861 CCEFDIJUYHMVKR-WOOAAIBNSA-N 413.474 3.227 0 40 HGAB O=C(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)N1CCC(c2nc3ccccc3s2)CC1 101099645 WSKDBAKKGWVQQO-CALCHBBNSA-N 423.538 3.344 0 40 HGAB COc1ccccc1CN(Cc1cccs1)C(=O)CN1C(=O)[C@H]2CC=CC[C@H]2C1=O 102845170 XJCYJQNEDXBCTI-KDURUIRLSA-N 424.522 3.237 0 40 HGAB Cc1c(Cl)cccc1NC(=O)CNC(=O)C(=O)Nc1ccc(Br)cc1 108140316 FRWXTPHASKYVSB-UHFFFAOYSA-N 424.682 3.104 0 40 HGAB CCOC(=O)c1ccc(NC(=O)[C@H](CC)N(c2cccc(C)c2)S(C)(=O)=O)cc1 220496535 OXACBUUGHVRVKT-IBGZPJMESA-N 418.515 3.355 0 40 HGAB CC[C@H](C(=O)N1CCc2ccccc2C1)N(c1cc(C)ccc1C)S(C)(=O)=O 220533859 SOTRYIYWJLPVRD-HXUWFJFHSA-N 400.544 3.433 0 40 HGAB O=C(COc1ccc(F)cc1)NCc1nc(-c2cccc(Br)c2)no1 222785885 SPYRRVDBUSCRBB-UHFFFAOYSA-N 406.211 3.333 0 40 HGAB COc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)cc1 223279587 PXHMPDDDKLBOJN-FCHUYYIVSA-N 421.570 3.415 0 40 HGAB CCN(Cc1ccc(C(=O)NC(C)(C)C)cc1)S(=O)(=O)c1ccc(OC)cc1 224463510 LEGNUBAPSRIXTM-UHFFFAOYSA-N 404.532 3.434 0 40 HGAB CS(=O)(=O)N(CCCC(=O)NCCc1ccc(F)cc1)c1ccc(F)c(F)c1 224890028 BUVMAIMACOZHDW-UHFFFAOYSA-N 414.449 3.009 0 40 HGAB COc1ccc(OC)c(N(CC(=O)O)S(=O)(=O)c2ccc3ccccc3c2)c1 225050132 AOJULXPIZMXGRH-UHFFFAOYSA-N 401.440 3.137 0 40 HGAB Cc1c(Cl)cccc1-n1ccn2c(=O)n(Cc3ccccc3Cl)nc2c1=O 244933238 CIODGYDHVGAOEJ-UHFFFAOYSA-N 401.253 3.310 0 40 HGAB O=S(=O)(Nc1ccc(Oc2ccncc2)cc1)c1ccc2nc(O)nc(O)c2c1 253537713 OMPBQYXKPNFJKM-UHFFFAOYSA-N 410.411 3.029 0 40 HGAB Cc1cc(C)cc(N([C@@H](C)C(=O)N[C@H](C)COc2ccccc2C)S(C)(=O)=O)c1 260455468 UQRGVDHHXOPCDU-MOPGFXCFSA-N 418.559 3.350 0 40 HGAB Cc1nc(C(=O)N2CCO[C@H](c3nnn4cc(-c5ccccc5)ccc34)C2)cs1 306127936 GLGBPTYJSMYRMI-IBGZPJMESA-N 405.483 3.375 0 40 HGAB Cn1cc(CN2CCC[C@H](c3nc4ccc(NCc5ccccc5)cn4n3)C2)cn1 306136292 PPAOJJOCTQWQIC-FQEVSTJZSA-N 401.518 3.455 0 40 HGAB CC[C@H](C)NS(=O)(=O)c1ccc(OCC(=O)N[C@@H](C)CCc2ccccc2)cc1 408584833 VQXPIIBWPUMDLJ-ROUUACIJSA-N 418.559 3.280 0 40 HGAB CCOc1cc(C=C(C(=O)OC)C(=O)OC)ccc1OCc1ccc(C(=O)O)cc1 409075089 UDRCRGRYJVPNJU-UHFFFAOYSA-N 414.410 3.092 0 40 HGAB O=C(c1cn2ccc(Br)cc2n1)N1CCN(CCc2cccs2)CC1 506788573 BJUXMLWJRUJUCK-UHFFFAOYSA-N 419.348 3.159 0 40 HGAB O=C(N[C@@H]1CC[C@@H](c2ccc(F)cc2)C1)C(=O)N1CCC(Cc2cccnc2)CC1 510396817 MNVRRMVRGWQYPE-IFMALSPDSA-N 409.505 3.454 0 40 HGAB O=C(NCc1cnc2n1CCCC2)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 552788888 AKSUJGJOJQBULN-KRWDZBQOSA-N 421.328 3.447 0 40 HGAB COc1cccc(-n2nc(C)c([C@H]3COCCN3C(=O)CCOCC(F)F)c2C)c1 558980728 KBPHGTZVYGJQOH-GOSISDBHSA-N 423.460 3.069 0 40 HGAB Cc1ccc(N2C[C@H](C(=O)NCc3nccnc3-c3cccs3)CC2=O)cc1C 575620952 RYLSXOJLJXERQC-MRXNPFEDSA-N 406.511 3.491 0 40 HGAB CCN1c2cccnc2-n2cccc2[C@@]12CCN(C(=O)c1ccc3c(c1)CCO3)C2 585107287 SFGMFNGKSQWKKW-DEOSSOPVSA-N 400.482 3.389 0 40 HGAB CC(C)N1[C@H]2CC[C@@H]1CCNc1ccccc1CN(C(=O)c1ccc(=O)n(C)c1)C2 643578071 BVDBCSFNWOGZQO-RTWAWAEBSA-N 408.546 3.085 0 40 HGAB COC(=O)c1cc(NC(=O)C2=Cc3ccccc3O[C@H]2C(F)F)c(O)c(OC)c1 1179886617 NZJKUUFZFPQYTR-QGZVFWFLSA-N 405.353 3.236 0 40 HGAB CSc1ncc(C)c(OCC2CCN(Cc3nnc(C(F)(F)F)o3)CC2)n1 1888876075 XRDBUIXDVZANHW-UHFFFAOYSA-N 403.430 3.200 0 40 HGAB O=C(c1ncccc1C(F)(F)F)N1CCC2(CC1)CN(c1ccccc1)C(=O)CO2 2037988522 QXIJFCCXAAWNDB-UHFFFAOYSA-N 419.403 3.139 0 40 HGAB COc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3cccc(Cl)c3C)CC2=O)cc1 800434 UFTVAEYGVQRUOK-AWEZNQCLSA-N 416.861 3.192 0 40 HGAB CC(C)[C@H](C(=O)OCC(=O)Nc1ccccc1Cl)N1C(=O)c2ccccc2C1=O 1916962 QIVLOGMSGDBUDC-GOSISDBHSA-N 414.845 3.143 0 40 HGAB Cc1ccc(CNC(=O)CN2C(=O)N[C@](C)(c3ccc(C(C)(C)C)cc3)C2=O)cc1 2629050 AEZSGXQJKZLWBG-XMMPIXPASA-N 407.514 3.376 0 40 HGAB COc1ccc(OC)c(NC(=O)CSc2nnnn2-c2ccc(Cl)cc2)c1 3493239 MXZCCGBRAXQQGR-UHFFFAOYSA-N 405.867 3.064 0 40 HGAB COc1ccc(NC(=O)[C@@H](CCSC)N2C(=O)c3ccccc3C2=O)cc1OC 3565592 BCWCWVCALLFDPO-MRXNPFEDSA-N 414.483 3.060 0 40 HGAB COc1cccc(C(=O)Nc2c3c(nn2-c2ccc(F)cc2)C[S@@](=O)C3)c1OC 4106217 WHHUFCWLHFPKAC-GDLZYMKVSA-N 415.446 3.043 0 40 HGAB CC(=O)c1ccc(NC(=O)CSc2nnc3ccc(-c4cccnc4)nn23)cc1 4376975 OZXBAJTVSKIKMK-UHFFFAOYSA-N 404.455 3.120 0 40 HGAB COc1ccccc1N1C[C@H](C(=O)OCC(=O)Nc2cccc3ccccc23)CC1=O 4512472 XQOABMBOBQVUCF-QGZVFWFLSA-N 418.449 3.383 0 40 HGAB CC(C)(C)NC(=O)c1ccccc1NC(=O)CCS(=O)(=O)Cc1ccccc1 4777214 RODPORRHBIUDQY-UHFFFAOYSA-N 402.516 3.159 0 40 HGAB C[C@H]1Cc2ccccc2N1C(=O)Cn1c(SCC(=O)N(C)C)nc2ccccc21 4859162 SRLFKGMFESWEJF-HNNXBMFYSA-N 408.527 3.194 0 40 HGAB CCc1ccccc1N(CC(=O)NC1CCCC1)C(=O)CNC(=O)c1cccs1 4875774 KVWPSNGVXXMRJR-UHFFFAOYSA-N 413.543 3.132 0 40 HGAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2cc(OC)ccc2OC)c1C 5082030 MQOHHMKEXLPOLP-CYBMUJFWSA-N 403.431 3.254 0 40 HGAB Cc1cc(C)c(NC(=O)COC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)c(Cl)c1 5204364 UTDRABLTAHMZFU-CQSZACIVSA-N 404.850 3.080 0 40 HGAB COc1ccc(F)cc1S(=O)(=O)Nc1ccc2c(c1)N(C(=O)C1CC1)CCC2 5252375 OFMOYLGBAFWETM-UHFFFAOYSA-N 404.463 3.324 0 40 HGAB Cc1ccc(Nc2nnc(SCC(=O)NC(=O)c3cccn3C)s2)cc1C 5624007 GXPKJIJWDWUDSR-UHFFFAOYSA-N 401.517 3.286 0 40 HGAB COC(=O)C1=C(C)N=c2s/c(=C\c3ccco3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 6461703 MJOUITLQYVHJFI-JKALPCAWSA-N 422.506 3.125 0 40 HGAB O=C(CN1C[C@@H](C(=O)N2CCCCC2)Oc2ccccc21)Nc1c(F)cccc1F 7251812 LUZREXGIELNEFY-IBGZPJMESA-N 415.440 3.183 0 40 HGAB O=C(COc1cc(Cl)cc(Cl)c1)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 7504514 OEZGNSHXVJUHCW-HNNXBMFYSA-N 406.331 3.331 0 40 HGAB COc1ccc(NC(=O)c2ccc(CN(C)CC(=O)NCc3ccco3)cc2)cc1 8429740 MXBVOGUXIMWCPX-UHFFFAOYSA-N 407.470 3.289 0 40 HGAB Cc1cccc(-c2nc(S(=O)(=O)c3ccc(F)cc3)c(N3CCOCC3)o2)c1 8844564 CRELZGOGHZUXBS-UHFFFAOYSA-N 402.447 3.459 0 40 HGAB CC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(SCc4ccccc4)nn32)cc1 9289586 IKXXIUXWJVKFCU-KRWDZBQOSA-N 421.482 3.295 0 40 HGAB CC(=O)Nc1ccc(-c2csc(NC(=O)c3nn(C)c(=O)c4ccccc34)n2)cc1 9465352 HTROCUBYQRPFHC-UHFFFAOYSA-N 419.466 3.268 0 40 HGAB O=C(OCc1cc(Cl)c2c(c1)OCO2)c1ccc(S(=O)(=O)N2CCCC2)cc1 9670852 WWCIHARPFUCMDS-UHFFFAOYSA-N 423.874 3.210 0 40 HGAB COc1ccc(C(=O)N2CCN(c3ccc(-c4cccs4)nn3)CC2)c(OC)c1 9825013 CVEAIRHUFGNCFZ-UHFFFAOYSA-N 410.499 3.185 0 40 HGAB Cc1cccc(C)c1-n1nnnc1SCC(=O)N1c2ccccc2NC(=O)C[C@H]1C 9866902 JYXDKHPYBJFSKH-OAHLLOKOSA-N 422.514 3.135 0 40 HGAB O=C(c1ccco1)N1CCN(C(=O)c2csc3nc(-c4ccc(F)cc4)cn23)CC1 11902145 FOERKTZULZUQHV-UHFFFAOYSA-N 424.457 3.393 0 40 HGAB Cc1nc(Oc2ccccc2)cc(N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)n1 12223841 PHFVLCRLLMDTCH-UHFFFAOYSA-N 418.453 3.268 0 40 HGAB O=C(N[C@H](Cc1ccsc1)c1nccs1)[C@H]1CC(=O)N(Cc2ccccn2)C1 12227037 IGFZGVGJELYPSN-DOTOQJQBSA-N 412.540 3.048 0 40 HGAB CS(=O)(=O)c1cc(Cl)cnc1[C@H]1CCCN(C(=O)c2cc(C3CC3)on2)C1 12365286 DZUKWWFBQZNDGC-LBPRGKRZSA-N 409.895 3.024 0 40 HGAB Cc1cc(S[C@@H](C)C(=O)N[C@@H]2CCS(=O)(=O)C2)nc2c(C(C)C)cccc12 12537883 RPXQNJXDFUHKBM-LSDHHAIUSA-N 406.573 3.451 0 40 HGAB CC(C)OCCCNC(=O)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 12738807 GTDMBFJFKFZXAS-UHFFFAOYSA-N 416.543 3.373 0 40 HGAB Cc1cc(C(=O)N(CCC(C)C)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)c(C)o1 12766314 RUOQCQVAVFBWHK-UHFFFAOYSA-N 424.501 3.070 0 40 HGAB COc1cc(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)cc(OC)c1OCC(N)=O 12905641 KHDWOCWVEJAUTF-UHFFFAOYSA-N 418.449 3.391 0 40 HGAB CCCn1c(SCC(=O)c2cc(C)n(Cc3ccco3)c2C)nc(O)cc1=O 13131145 KMLAYQMDEGNJLS-UHFFFAOYSA-N 401.488 3.394 0 40 HGAB COc1ccc2c(c1)cc(C(=O)NCCCC(=O)Nc1ccc3c(c1)OCCO3)n2C 13693477 VELZHCIYZISSSI-UHFFFAOYSA-N 423.469 3.107 0 40 HGAB Cc1cccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3)C2)c1C 13945462 LDEVUJDQQNMNJT-HNNXBMFYSA-N 400.862 3.492 0 40 HGAB CCOC(=O)c1ccc(S(=O)(=O)NCc2ccccc2CN2CCCCC2)cc1 15360765 MWQMLEXRMCTRGE-UHFFFAOYSA-N 416.543 3.328 0 40 HGAB C[C@H]1CS(=O)(=O)N(c2ccc(C(=O)Nc3ccc(Br)cc3)cc2)C1=O 15842935 HSOSMPGFKDWZSV-NSHDSACASA-N 423.288 3.014 0 40 HGAB COc1ccc([C@H](CNC(=O)c2cc(-c3cccs3)on2)N2CCOCC2)cc1 15859670 JJSKHXNJKIEJFW-SFHVURJKSA-N 413.499 3.215 0 40 HGAB CCCc1nn(CC(=O)Nc2ccc(OC)c(OC)c2)c(=S)n1-n1cccc1 16778219 BICWJRWFILVLGC-UHFFFAOYSA-N 401.492 3.135 0 40 HGAB CC1=NN(C(=O)c2ccn(COc3ccc(F)c(Cl)c3)n2)[C@](O)(C(F)(F)F)C1 17092431 QCRYEAQLNIRWOI-OAHLLOKOSA-N 420.750 3.185 0 40 HGAB CC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3cccs3)cc2Cl)CC1 17093417 RWQFGMYKBZWZEQ-UHFFFAOYSA-N 422.963 3.197 0 40 HGAB CC(C)(C)c1ccc(OCC(=O)N2CCO[C@H](c3nc(-c4cccnc4)no3)C2)cc1 19084525 UNXHGBRORDFQFZ-IBGZPJMESA-N 422.485 3.408 0 40 HGAB Cc1nc([C@H](Cc2c[nH]c3ccccc23)NC(=O)COc2ccccc2F)cc(=O)[nH]1 19240979 CTSZYZNLNQUNID-IBGZPJMESA-N 420.444 3.178 0 40 HGAB Cc1nn(C)c(C)c1CN1CCN(C(=O)Cc2c(C)[nH]c3c(C)ccc(C)c23)CC1 19660793 PFOLIPSVOBXEIS-UHFFFAOYSA-N 407.562 3.330 0 40 HGAB CC[C@H](NS(=O)(=O)c1ccc(OC)c(C(=O)NC(C)C)c1)c1ccc(OC)cc1 20461662 PKTPHVFHYMPXFI-IBGZPJMESA-N 420.531 3.272 0 40 HGAB COc1ccc(-c2nc3n(n2)[C@@H](CC(=O)Nc2cccc(Cl)c2C)C(=O)N3)cc1 20738711 ZEJFQXFFGSPXRE-INIZCTEOSA-N 411.849 3.438 0 40 HGAB CCc1nc(COC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cs1 22174280 WGLJDTPUFZWSPN-UHFFFAOYSA-N 408.545 3.158 0 40 HGAB Cc1noc(C)c1S(=O)(=O)N1CCCN(Cc2ccc(C(C)(C)C)cc2)CC1 22318657 STJLNNZSTMDJEA-UHFFFAOYSA-N 405.564 3.486 0 40 HGAB Cc1ccc(OC[C@H](C)NC(=O)CN(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1 22337018 UHXHBYHZYQZVFG-INIZCTEOSA-N 424.950 3.307 0 40 HGAB CN1CCN([C@@H](CNC(=O)c2ccc(Br)cc2)c2ccc(F)cc2)CC1 22794823 SCYHBWAPBOOEDU-IBGZPJMESA-N 420.326 3.307 0 40 HGAB Cc1csc2nc(COC(=O)c3csc(NCc4ccccc4)n3)cc(=O)n12 22885799 NIWMSJMEUAERBO-UHFFFAOYSA-N 412.496 3.490 0 40 HGAB Cc1cccc(CC(=O)Nc2c3c(nn2CC(=O)NCc2ccccc2)CSC3)c1 23139506 OQOWALGBRJXTNZ-UHFFFAOYSA-N 420.538 3.436 0 40 HGAB Cc1cc(OCC(=O)NC[C@H](c2ccc(F)cc2)N2CCOCC2)ccc1Cl 23156350 XZGOAZFUJHXTTR-HXUWFJFHSA-N 406.885 3.356 0 40 HGAB CCOc1ccc(C(=O)N[C@H](C(=O)NC[C@@H](c2cccs2)N(C)C)C(C)C)cc1 23238401 AIOGJFNBFFFSMM-ICSRJNTNSA-N 417.575 3.320 0 40 HGAB O=C(Cn1ncc(Br)c(Br)c1=O)Nc1ccc(Cl)cc1 23557441 RCEZAGXIDPIPQI-UHFFFAOYSA-N 421.476 3.060 0 40 HGAB CN(Cc1nc2ccccc2s1)C(=O)c1ccc(=O)n(CCOc2ccccc2)n1 24073727 LJKIROLJKHZCIT-UHFFFAOYSA-N 420.494 3.204 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCN(Cc3nc4ccccc4s3)CC2)cc1C 24149482 QHIGJPVTSDDYAZ-UHFFFAOYSA-N 401.557 3.420 0 40 HGAB Cc1cc(NC(=O)[C@H](N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c2ccccc2)no1 24208025 MCVGKSCQZZKDQF-MGPUTAFESA-N 413.499 3.417 0 40 HGAB O=C(Cn1cnc2c(oc3ccccc32)c1=O)OCc1ccc(-n2cccn2)cc1 24422164 ZRFTXOYZRPMONV-UHFFFAOYSA-N 400.394 3.072 0 40 HGAB CC(C)CCn1c(S[C@@H](C)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)nc2ccccc21 25760118 ALWRDDDTECEJFA-JKSUJKDBSA-N 423.604 3.209 0 40 HGAB Cc1ccc(CN2C[C@@H](C(=O)OCC(=O)Nc3cc(Cl)ccc3C)CC2=O)cc1 28609444 KWJFHWWNDLUNRP-KRWDZBQOSA-N 414.889 3.487 0 40 HGAB O=C(NCCNc1ccc(C(F)(F)F)cn1)NC1CCN(Cc2ccccc2)CC1 31662344 GQWRMVVPPWKVAR-UHFFFAOYSA-N 421.467 3.476 0 40 HGAB O=C(Cc1c[nH]c2ccccc12)N1CCN(Cc2nc(-c3ccccc3)no2)CC1 32778249 RKSHRPVFTRDCDA-UHFFFAOYSA-N 401.470 3.105 0 40 HGAB CCc1c(C)sc2nc(SCC(N)=O)n(-c3ccc(OC)cc3C)c(=O)c12 32950665 VXAGJHPBBFFASN-UHFFFAOYSA-N 403.529 3.212 0 40 HGAB COc1ccc(-c2cc(C(=O)N3CCN(c4ccccc4C)CC3)n[nH]2)c(OC)c1 57477198 NBSZDKZPISDXAE-UHFFFAOYSA-N 406.486 3.365 0 40 HGAB O=c1c(Cl)c(NCc2ccccc2CO)cnn1-c1ccc(C(F)(F)F)cn1 58405745 RMEIJKFSFTYRQZ-UHFFFAOYSA-N 410.783 3.404 0 40 HGAB COc1cc(=O)oc(/C=C\C=C/C=C\C(C)=C/[C@@]2(C)O[C@@H](C)[C@](C)(O)[C@H]2O)c1C 62612990 JLSVDPQAIKFBTO-XQGBFLHNSA-N 402.487 3.318 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCSc3ccccc3)C2)cc1 64743806 UHEAMJIIIYBJHP-GOSISDBHSA-N 418.584 3.304 0 40 HGAB COCCn1ccc2c(NC(=O)Cn3nc(-c4ccccc4F)ccc3=O)cccc21 71285414 HAHMSEOGECIKKH-UHFFFAOYSA-N 420.444 3.289 0 40 HGAB NNc1nc2c(N3CCN(C(=O)c4ccc(F)cc4)CC3)c(Cl)ccc2s1 72230216 LXEFPUZMRZGOEK-UHFFFAOYSA-N 405.886 3.337 0 40 HGAB CCn1nc(C)c(CN2C[C@H](c3cn(C)c4ccc(OC)cc34)[C@@H](NC(C)=O)C2)c1C 72395546 MKAFALGFVHLPGL-PKTZIBPZSA-N 423.561 3.124 0 40 HGAB COCCN1CCN(c2ccc(NCc3cc4cccc(C)c4[nH]c3=O)cc2)CC1 72396175 DJNGMGDLPPZZSW-UHFFFAOYSA-N 406.530 3.217 0 40 HGAB COC(=O)c1nn(C(=O)OC(C)(C)C)c2ccc(I)cc12 85221675 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Cc1c(C(=O)NCCOc2ccccc2C(C)(C)C)cccc1N(C)S(C)(=O)=O 223729343 DJMMUVGSSMXPLQ-UHFFFAOYSA-N 418.559 3.497 0 40 HGAB CC[C@@H]1CCCCN1CCCNC(=O)c1ccc(C)c(N2CCCCS2(=O)=O)c1 224398789 BXDSIDKIGYAAFQ-HXUWFJFHSA-N 421.607 3.309 0 40 HGAB CC(=O)Nc1ccc(S(=O)(=O)NCc2cccc(CN3CCCCC3)c2)cc1 224664543 NAHRBHDIIKNPEX-UHFFFAOYSA-N 401.532 3.109 0 40 HGAB O=C(NCc1ccccc1CN1CCCCC1)c1ccc(CN2CCOCC2)cc1 224806909 CJISGPAIOGXLLV-UHFFFAOYSA-N 407.558 3.435 0 40 HGAB O=C(Nc1nnc(S(=O)(=O)NCC2=CCCCC2)s1)c1ccccc1Cl 225101943 OSYKORPLHMYSEV-UHFFFAOYSA-N 412.924 3.223 0 40 HGAB COc1ccc(CNC(=S)Nc2nc(OC)cc(N3CCC[C@@H](C)C3)n2)cc1 225929960 LNDXEJLXQKHYEM-CQSZACIVSA-N 401.536 3.217 0 40 HGAB O=C(O)CCC/C=C/C[C@H]1[C@H](/C=C/[C@@H](O)COc2cccc(Cl)c2)[C@@H](O)C[C@H]1O 247434438 VJGGHXVGBSZVMZ-VJOYQJDNSA-N 424.921 3.195 0 40 HGAB NC(=O)CC1(COc2ccc(F)cc2)CCN(C(=O)c2cccnc2Cl)CC1 257206168 BCDWGTPDNGCJRC-UHFFFAOYSA-N 405.857 3.051 0 40 HGAB O=C(Cn1cccnc1=O)N1CCCC[C@H]1c1ncc(Cc2cccc(Cl)c2)o1 257335884 YMHDLAZIHQGIRX-SFHVURJKSA-N 412.877 3.229 0 40 HGAB CCC1(CC)C[C@H](NC(=O)[C@H]2CCCN(S(=O)(=O)CC)C2)c2ccccc2O1 260772445 YJCYQAFIZKYWKF-WMZOPIPTSA-N 408.564 3.247 0 40 HGAB COc1cccc(N([C@@H](C)C(=O)N[C@H](C)c2ccc3c(c2)CCC3)S(C)(=O)=O)c1 260937149 PFXRVKOEEJXBLT-CVEARBPZSA-N 416.543 3.216 0 40 HGAB Cc1ccc(S(=O)(=O)Nc2cccc(Cl)c2C)cc1C(=O)N1CCOCC1 408605113 MPUSYTFNXZRXLI-UHFFFAOYSA-N 408.907 3.230 0 40 HGAB CCOc1ccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccccc3)[C@H]2c2ccccc2)cc1 409061678 ZQUPPOGHRLIVBJ-ZISAOZHLSA-O 414.485 3.101 0 40 HGAB CC(=O)Oc1ccc(C(=O)COC(=O)CCC(=O)Nc2ccccc2Cl)cc1 409183057 QUEGSCPFXOBDOF-UHFFFAOYSA-N 403.818 3.410 0 40 HGAB COc1nc(C)c(Br)cc1-c1noc([C@H]2CC(=O)N(CC(C)C)C2)n1 581468024 UQLOIMAXAOXQQK-NSHDSACASA-N 409.284 3.183 0 40 HGAB O=C(N[C@@H]1CCN(C(=O)Nc2ccccc2)C1)c1cccc(Nc2ncccn2)c1 669943295 SKMOKOUBWOJIKJ-LJQANCHMSA-N 402.458 3.256 0 40 HGAB CN1CCN(C(=O)Cc2ccccc2F)[C@H](Cc2ccc(-c3ccncc3)cc2)C1=O 1848351787 DSELXHOZEDIPBA-HSZRJFAPSA-N 417.484 3.342 0 40 HGAB Cc1cccc(C(=O)NCc2nnc(SCC(=O)N[C@@H](C)c3ccccc3)n2C)c1 1008533 GJZJQBJQHYDLNL-INIZCTEOSA-N 423.542 3.023 0 40 HGAB Nc1c(C(=O)NC[C@H]2CCCO2)c2nc3ccccc3nc2n1Cc1ccc(F)cc1 2354491 DMFSCORTTPROTD-MRXNPFEDSA-N 419.460 3.263 0 40 HGAB CN(C)CCNc1nc2sc3c(c2c(=O)n1-c1cccc(Cl)c1)CCN(C)C3 2403740 CMPNWIQUPTZFCP-UHFFFAOYSA-N 417.966 3.062 0 40 HGAB Cc1noc(NS(=O)(=O)c2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2)c1C 2752817 JJUFEXWJDLVBJI-UHFFFAOYSA-N 415.427 3.073 0 40 HGAB Cc1ccc2c(CSc3nc4ccccc4c(=O)n3CCCO)cc(=O)oc2c1 3455038 AXXUASHHVSGBBD-UHFFFAOYSA-N 408.479 3.486 0 40 HGAB Cc1nc2cc(C(=O)OCC(=O)N3C[C@@H](C)O[C@H](C)C3)ccc2n1-c1ccccc1 3475260 AAYQSLAFZPFUSM-HZPDHXFCSA-N 407.470 3.127 0 40 HGAB COC(=O)c1ccc(NC(=O)CSc2nnc3c(n2)[nH]c2ccc(F)cc23)cc1 4130145 VGEVRAHESVNVSB-UHFFFAOYSA-N 411.418 3.163 0 40 HGAB O=C(CSc1nnc2ccc(-c3cccnc3)nn12)NCc1ccccc1Cl 4376977 BJVLMKDRIHXGPP-UHFFFAOYSA-N 410.890 3.248 0 40 HGAB COCCNC(=O)CSc1nnc(-c2ccc(OC)cc2)n1-c1ccc(C)cc1 4837932 XWYYPWRQFNHUOK-UHFFFAOYSA-N 412.515 3.106 0 40 HGAB O=C(Nc1ccc2c(c1)OCO2)c1ccc(Cl)c(N2CCCCS2(=O)=O)c1 5099860 GPSBLUCUSSOEAV-UHFFFAOYSA-N 408.863 3.251 0 40 HGAB Cc1cc(C)c(-c2ccc(=O)n(CC(=O)Nc3ccc4c(c3)OCCO4)n2)cc1C 5410362 CEDOSJZMOJSZAX-UHFFFAOYSA-N 405.454 3.245 0 40 HGAB O=C(C[C@H]1C(=O)N[C@H]2CCCC[C@@H]2N1C(=O)c1ccc(F)cc1)Nc1ccccc1 5443356 YYZLPFUCOFKCEG-UFYCRDLUSA-N 409.461 3.106 0 40 HGAB COc1ccc(Cc2nnc3n2N=C(c2cc4ccccc4oc2=O)CS3)cc1 6550351 ZXEGIQZWMAOBCM-UHFFFAOYSA-N 404.451 3.342 0 40 HGAB CS(=O)(=O)Nc1ccc(C(=O)CSc2nnc(Cc3ccccc3)o2)cc1 6610497 WLDHQUKYXMRZFH-UHFFFAOYSA-N 403.485 3.007 0 40 HGAB COc1cc(S(=O)(=O)Nc2ccccc2N2CCCCC2)ccc1NC(C)=O 7056734 WUQRZOGSAUJKTR-UHFFFAOYSA-N 403.504 3.445 0 40 HGAB O=C(Nc1ccc2c(c1)CCC2)[C@H]1CCCCN1C1=NS(=O)(=O)c2ccccc21 7466607 HLOSGGZRHWMLKU-LJQANCHMSA-N 409.511 3.117 0 40 HGAB C[C@H](NC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1)c1ccc(-n2cncn2)cc1 8751425 LLQOLCNPHVIGRW-PKOBYXMFSA-N 418.501 3.389 0 40 HGAB O=C(Cn1ncc(Cl)c(Cl)c1=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 9223140 MCQMYRGIJREFAI-AWEZNQCLSA-N 424.284 3.075 0 40 HGAB Cc1cccc(Cn2c(=O)c3c(nc4n3CCN4c3ccc(Cl)cc3)n(C)c2=O)c1 9406696 YKBDLDTYXBMMDZ-UHFFFAOYSA-N 421.888 3.059 0 40 HGAB CCC[C@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 9974084 TWVAJSKLEULZSR-KBPBESRZSA-N 417.369 3.155 0 40 HGAB Cc1ccc(C)c(N([C@H](C)C(=O)NCCSc2ccccc2)S(C)(=O)=O)c1 10433973 GDXZRDAKAHQVTA-QGZVFWFLSA-N 406.573 3.366 0 40 HGAB COc1cc(Cl)c(NC(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)cc1OC 10590781 KVEATOWIKPHZQO-UHFFFAOYSA-N 410.879 3.050 0 40 HGAB CC1CCN(CCCNC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)CC1 11714114 YGJGLBHNAJIMIL-UHFFFAOYSA-N 416.591 3.034 0 40 HGAB O=C(c1ccccn1)N1CCC(O)(Cn2ccc3nc(-c4ccncc4)ccc32)CC1 12089173 VJDBXHUEZHEPAJ-UHFFFAOYSA-N 413.481 3.161 0 40 HGAB COc1cc(C(=O)N2Cc3ccccc3OC3(CCOCC3)C2)cc(OC)c1OC 12121738 GDQRBQZNEVVQKK-UHFFFAOYSA-N 413.470 3.296 0 40 HGAB O=C(C[C@H]1CSc2nc3c(cnn3-c3ccccc3)c(=O)n21)N1CCCCCC1 12232883 FFFVKKNVXFTGKD-INIZCTEOSA-N 409.515 3.022 0 40 HGAB CCc1cccc(OCC(=O)Nc2c(C(=O)N3CCOCC3)oc3ccccc23)c1 12853965 AHFCAJDBHBWGAA-UHFFFAOYSA-N 408.454 3.485 0 40 HGAB CCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc4ccccc4c3)CC2)cc1 13022780 MXWHRBWMZKLREX-UHFFFAOYSA-N 424.522 3.385 0 40 HGAB COc1cccc(CNC(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)cc2)c1 13527024 WHWALPAZGQIDQZ-CALCHBBNSA-N 416.543 3.292 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cc(C)cc(C)c3)C2)cc1 13595857 HDVNGXPZUUVFHK-QGZVFWFLSA-N 402.516 3.351 0 40 HGAB CC[C@@H](C(=O)Nc1ccc2c(c1)OCO2)N(c1cccc(Cl)c1)S(C)(=O)=O 13712226 GLQGVCLPKBJVFG-HNNXBMFYSA-N 410.879 3.252 0 40 HGAB COCCn1c(Cc2ccccc2)nnc1SCCCn1c(=O)[nH]c2ccccc21 14129265 AZIIPAMYUXMSFW-UHFFFAOYSA-N 423.542 3.341 0 40 HGAB NC(=O)[C@@H](NC(=O)c1cc(Br)c(Br)s1)c1ccccc1 14201641 IYWKVHCYLPLHDJ-JTQLQIEISA-N 418.110 3.230 0 40 HGAB CCCCN(Cn1nnn(-c2ccc(C(C)C)cc2)c1=S)[C@H]1CCS(=O)(=O)C1 14262232 LVRAXQIDBDMGJG-SFHVURJKSA-N 423.608 3.168 0 40 HGAB CCCn1c(NC(=O)CS[C@H](C)C(=O)Nc2cc(C)on2)nc2ccccc21 14626145 WIYSZKFEISLHSS-CYBMUJFWSA-N 401.492 3.442 0 40 HGAB O=C(NCc1cccc(C(F)(F)F)c1)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 14790013 MKFTVOTXFYNFCP-AWEZNQCLSA-N 420.387 3.146 0 40 HGAB FC(F)(F)c1nnc2ccc(N3CCN(Cc4cccc5cccnc45)CC3)nn12 14813674 VACYYMBZISOBHO-UHFFFAOYSA-N 413.407 3.014 0 40 HGAB Cn1c(=O)c2c(-c3ccc(C(C)(C)C)cc3)n(Cc3ccccn3)cc2n(C)c1=O 15084170 FGOVDQLSWPSELK-UHFFFAOYSA-N 402.498 3.447 0 40 HGAB COC(=O)c1ccc(C)c(-n2c(N)c(C(=O)NCc3ccco3)sc2=S)c1 17121493 YVWQJVUGIUCZKW-UHFFFAOYSA-N 403.485 3.469 0 40 HGAB Cc1cc(C(F)(F)F)nc(SCC(=O)NC[C@@H](C)n2nc(C)c(C)c2C)n1 19118854 QAEPDIZAAHOLBZ-SNVBAGLBSA-N 401.458 3.395 0 40 HGAB Cc1ccsc1CN1CCc2nc([C@H]3CCCN3C(=O)C3CCC3)[nH]c(=O)c2C1 19238663 MZERMQURYIAMIX-GOSISDBHSA-N 412.559 3.162 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC[C@H](c3nc(C)n4ccsc34)C2)cc1F 19240790 YKPIRORTCPLZRE-ZDUSSCGKSA-N 409.508 3.420 0 40 HGAB CC(C)c1cc(C(=O)N2CCC[C@H](C(=O)c3cnn(-c4ccc(F)cc4)c3N)C2)[nH]n1 19451789 JBKLYXMBDNCKLO-AWEZNQCLSA-N 424.480 3.175 0 40 HGAB COc1ccccc1N1C[C@@H](NC(=O)c2ccccc2CN2CCCCC2)CC1=O 19571030 FXVAIYGNHABSAI-IBGZPJMESA-N 407.514 3.216 0 40 HGAB COCCC(=O)N1CCCC[C@H]1c1nc(C)c2c(n1)N(Cc1ccccn1)CCC2 19706237 MFLHCRHXAQHDEF-FQEVSTJZSA-N 409.534 3.223 0 40 HGAB COC(C)(C)C(=O)N1CCC(c2nc(C)c3c(n2)N(C2CCCC2)C(=O)CC3)CC1 19739319 AJMRRULQINXQOP-UHFFFAOYSA-N 414.550 3.138 0 40 HGAB Cc1ccc(N(CC(=O)NCc2ccc(OC(C)C)cc2)S(C)(=O)=O)cc1C 19934739 LCVKPQJPHBCVFE-UHFFFAOYSA-N 404.532 3.173 0 40 HGAB C[C@@H]1Oc2ccc(NC(=O)CCCNC(=O)c3ccc(Cl)cc3)cc2NC1=O 21601157 RWSXSKAQOWNWPH-LBPRGKRZSA-N 401.850 3.208 0 40 HGAB CCN(c1cc(OC)c(OC)cc1C(=O)Nc1ccccc1Cl)S(C)(=O)=O 22251916 DHUYIBCMWAUWFR-UHFFFAOYSA-N 412.895 3.395 0 40 HGAB Cc1cc(C)c([C@H](C)NC(=O)COc2ccc(S(=O)(=O)N(C)C)cc2)cc1C 22537168 PTAPIIQQKKGBNX-KRWDZBQOSA-N 404.532 3.118 0 40 HGAB COc1ccc([C@@H](CNC(=O)CCC(=O)c2ccc(C)s2)N2CCOCC2)cc1 22686467 BYLIAUGZZHFXHQ-LJQANCHMSA-N 416.543 3.218 0 40 HGAB Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1 23142128 GXSAJDCRTGUDNL-UHFFFAOYSA-N 413.861 3.175 0 40 HGAB CCn1c(=O)n(CCC(=O)Nc2sc(C)c(C)c2C(=O)OC)c2ccccc21 24693093 FPUWJCGEHRHWJP-UHFFFAOYSA-N 401.488 3.317 0 40 HGAB O=C(COc1cccc(Br)c1)Nc1cccc(-c2nnnn2C2CC2)c1 24989689 DOESIIGRZKZPQG-UHFFFAOYSA-N 414.263 3.455 0 40 HGAB CC(C)[C@H](NC(=O)c1ccccc1F)C(=O)NC[C@H](c1ccco1)N1CCCC1 27333875 ODMFZMHKDBTGQL-QUCCMNQESA-N 401.482 3.126 0 40 HGAB CS(=O)(=O)Nc1ccccc1NC(=O)/C=C/c1cc(Cl)c2c(c1)OCCO2 28021127 VVOFFSPYAAMNGE-VOTSOKGWSA-N 408.863 3.135 0 40 HGAB Cc1ccc(CN2C[C@H](C(=O)OCC(=O)Nc3cccc(Cl)c3C)CC2=O)cc1 28609425 NJUKXLSTXXMGJB-QGZVFWFLSA-N 414.889 3.487 0 40 HGAB c1ccc2sc(-c3ccc(CNC[C@@H]([C@H]4CCOC4)N4CCOCC4)o3)nc2c1 30666083 BRLLBEUFWOPHSD-LPHOPBHVSA-N 413.543 3.383 0 40 HGAB O=C(OCc1cc(Cl)c2c(c1)OCCO2)C1=NN(c2ccccc2)C(=O)CC1 32722479 WNGKAEZKSSGJAH-UHFFFAOYSA-N 400.818 3.337 0 40 HGAB O=C(CCc1cccc(Cl)c1Cl)NCCCN1C(=O)NC2(CCCC2)C1=O 32924164 UJEMEQBWLRLVMT-UHFFFAOYSA-N 412.317 3.297 0 40 HGAB O=C(O)c1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccccc4)[C@H]3C2=O)cc1 35448484 GGMRDPNNDBIXGV-NJYVYQBISA-N 414.417 3.436 0 40 HGAB Cc1c(Cl)cccc1NC(=O)COC(=O)CCNC(=O)c1ccc(F)cc1F 36775496 ZTDVKXDYMMUWCL-UHFFFAOYSA-N 410.804 3.228 0 40 HGAB CCOc1ccccc1NC(=O)[C@@H]1CCN(S(C)(=O)=O)c2cc(Cl)ccc2O1 38834328 XWLVRRBWXXJEIW-SFHVURJKSA-N 424.906 3.295 0 40 HGAB COC(=O)CCCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(C(C)(C)C)cc1 46085586 OVQXGMPPEVRBRH-NRFANRHFSA-N 424.541 3.395 0 40 HGAB CN(c1ccccc1)c1ccccc1NC(=O)N1CCC[C@@H](NS(C)(=O)=O)C1 47563163 NCAVQHXZOKFLSO-MRXNPFEDSA-N 402.520 3.000 0 40 HGAB CCn1c(CN[C@H](C)c2ccccc2OC)nc2cc(S(=O)(=O)N(C)C)ccc21 57270674 VUQAVQMTTOEKSB-OAHLLOKOSA-N 416.547 3.166 0 40 HGAB Cc1sc2[nH]c(CCC(=O)NCCCCN3C[C@@H](C)C[C@@H](C)C3)nc(=O)c2c1C 58023499 KYZISGOJBPEHSY-GASCZTMLSA-N 418.607 3.408 0 40 HGAB O=C(NCc1ccc(N2CCCCCC2)nc1)Nc1ccc(N2CCOCC2)nc1 58109258 MQNWKAGOTIQPEP-UHFFFAOYSA-N 410.522 3.015 0 40 HGAB COc1cc(C(=O)N2CCCN(C(=O)OCC(C)C)CC2)ccc1OC(F)F 58177829 HSPIJYCCLACAHV-UHFFFAOYSA-N 400.422 3.237 0 40 HGAB Nc1ccc(I)cc1-c1nnc(-c2ccc(F)cc2)c(O)n1 69982208 QQAWFSWDMVDQQD-UHFFFAOYSA-N 408.174 3.237 0 40 HGAB O=C(NCc1ccccn1)c1cccc(NC(=O)N2CCN(c3ccccc3)CC2)c1 71281316 SYJKAMVPMWAKSR-UHFFFAOYSA-N 415.497 3.366 0 40 HGAB CCOC(=O)N1CCC(NC(=O)c2cn[nH]c2-c2ccc(OCC)c(Cl)c2)CC1 72329346 BZZNKZHJBAIILY-UHFFFAOYSA-N 420.897 3.480 0 40 HGAB COc1cc(CN2CCC(c3cc(O)nc(-c4ccncc4)n3)CC2)cc2c1OCO2 72392727 KSDDNYVZVCCVTR-UHFFFAOYSA-N 420.469 3.361 0 40 HGAB Cc1nc2sccn2c1CN1CCC[C@H](c2cc(=O)[nH]c(-c3ccncc3)n2)C1 72392984 RPMOTQMZFSBBCU-INIZCTEOSA-N 406.515 3.229 0 40 HGAB O=C(Nc1ccccc1)c1ccc(NC[C@@H]2CC(=O)N(CCc3ccccc3)C2)nn1 79061682 CVTRABSRRXXUFJ-IBGZPJMESA-N 415.497 3.232 0 40 HGAB COCCN(CC(=O)N[C@H]1CCC[C@H]1OCc1ccccc1)C(=O)OC(C)(C)C 84199915 LEWXLJWHYWEMJO-RBUKOAKNSA-N 406.523 3.124 0 40 HGAB COc1ccccc1CC(=O)NCc1ncccc1NC(=O)Cc1ccccc1OC 96010832 MQNGRCIYONLBSJ-UHFFFAOYSA-N 419.481 3.139 0 40 HGAB COc1cc(NC(=O)C[C@@H](CC(=O)O)c2cccs2)ccc1N1CCCC1=O 96024582 XVGUBWCQFWJDLV-ZDUSSCGKSA-N 402.472 3.471 0 40 HGAB Cc1ccc([C@H]2OC[C@H]3O[C@@H](c4ccc(C)c(C)c4)O[C@H]([C@@H](O)CO)[C@H]3O2)cc1C 100041451 YWEWWNPYDDHZDI-KAGYXSEVSA-N 414.498 3.170 0 40 HGAB O=C(COC(=O)c1ccccc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)c1ccccc1 100550302 VXPZAGCEUKQWSA-LRGYGIHKSA-N 401.418 3.038 0 40 HGAB CCOc1cc(CN2[C@@H]3CC[C@@H]2c2cnc(N4CCCC4)nc2C3)ccc1OCCO 100725864 BWKDWAGFTUJZPT-WIYYLYMNSA-N 424.545 3.108 0 40 HGAB C[C@H](CCc1ccccc1)NC(=O)[C@@H]1[C@@H]2C=C[C@]3(CN(c4ccccc4)C(=O)[C@H]13)O2 100788237 DOQJCMSPVWOHSQ-PNAIPXTPSA-N 402.494 3.111 0 40 HGAB CCCn1/c(=N/C(=O)CCOc2ccccc2)sc2cc(S(C)(=O)=O)ccc21 101061407 NCVZLXRFWGSXIS-MRCUWXFGSA-N 418.540 3.413 0 40 HGAB CN(c1cccc(C(=O)NCCSCc2ccc(Cl)cc2)c1)S(C)(=O)=O 222408279 BJGUHGJBVBYWJV-UHFFFAOYSA-N 412.964 3.399 0 40 HGAB CCOc1ccccc1N(CC(=O)N[C@@H](C)c1ccc2c(c1)CCC2)S(C)(=O)=O 223168804 LFRHZGZVPZLDIW-INIZCTEOSA-N 416.543 3.217 0 40 HGAB CC(C)CNS(=O)(=O)Cc1cccc(NC(=O)C2=Cc3ccccc3OC2)c1 223233477 SUVDRILTPLJPOO-UHFFFAOYSA-N 400.500 3.177 0 40 HGAB COc1cccc(NC(=O)CCc2cc(S(=O)(=O)N3CCCC3)ccc2OC)c1 223854169 FVGHFDUCVBTDJD-UHFFFAOYSA-N 418.515 3.060 0 40 HGAB Cc1cc(C(=O)NCCCN(C)C)ccc1N(C)S(=O)(=O)c1ccc(Cl)cc1 224218972 PSGXBZOJABVNGW-UHFFFAOYSA-N 423.966 3.155 0 40 HGAB Cc1cc(NC(=O)c2cn(C[C@@H](O)c3ccsc3)nn2)ccc1Br 225582340 AMMZTKZFBYNZPL-OAHLLOKOSA-N 407.293 3.396 0 40 HGAB COc1ccccc1[C@@H](C)NC(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O 225649966 MIDZYZARUHQPDN-OAHLLOKOSA-N 408.495 3.258 0 40 HGAB COC[C@]1(CN)[C@@H](c2ccc(Br)cc2)[C@H]1S(=O)(=O)c1ccc(C)cc1 242495200 FZKUGDLVSLHEID-IPMKNSEASA-N 424.360 3.289 0 40 HGAB O=S(=O)(NC[C@H]1CC2(CCN(Cc3cccc4ccccc34)CC2)O1)C1CC1 247295342 CKKSZVPVYZIHJO-LJQANCHMSA-N 400.544 3.045 0 40 HGAB O=C1N[C@]2(C[C@H]3CC[C@H]2C[C@@H]3C(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)Oc2ccccc21 247710639 JACHWOMCHFUKFN-GNOZATKPSA-N 424.541 3.095 0 40 HGAB COc1ccc(CCC(=O)N2CCC(c3cncc(Nc4cnccn4)n3)CC2)cc1 257218618 DDURZKVNCQUCJM-UHFFFAOYSA-N 418.501 3.358 0 40 HGAB C[C@@H]1CCCCN1CCCNC(=O)[C@H]1C[C@H]2CC[C@H]1C[C@@]21NC(=O)c2ccccc2N1 257241101 HWPYTFDERBNLQJ-PYZLORERSA-N 424.589 3.355 0 40 HGAB CCn1cc(CN2CCN(C)[C@H](c3cn4c(-c5ccncc5)cccc4n3)C2)cn1 306127832 GIRPJJAQRNTLQU-QFIPXVFZSA-N 401.518 3.101 0 40 HGAB COc1ccccc1C(=O)N1CCN([C@H](CCC(=O)O)c2ccc(F)cc2)CC1 408605012 GAOPJPIGZBVIIH-LJQANCHMSA-N 400.450 3.198 0 40 HGAB O=C(O)c1cccc(NC(=O)c2ccc(N3C(=O)[C@H]4[C@H]5CC[C@@H](C5)[C@H]4C3=O)cc2)c1 409198596 IHJCHGSZQWLYGM-KODHJQJWSA-N 404.422 3.173 0 40 HGAB COc1cc([C@H]2CC(=O)N=C3N=CNN32)ccc1OCc1c(F)cccc1Cl 409379675 YHTDTQFCUFORHM-OAHLLOKOSA-N 402.813 3.243 0 40 HGAB CN(C)S(=O)(=O)c1cccc2c1CCN(C(=O)C1(c3ccccc3)CCCC1)C2 551677489 QVGQJCJZDUOLIM-UHFFFAOYSA-N 412.555 3.334 0 40 HGAB O=C(NCc1cnc2n1CCCC2)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 561328343 VSPANVSEZGTMQQ-QGZVFWFLSA-N 421.328 3.447 0 40 HGAB Cc1cnc(Nc2cc(C[C@@H]3CCCN(C(=O)/C=C/c4ccnn4C)C3)ncn2)s1 585291394 CBOGFRNYHDDGGT-JFDDCEBESA-N 423.546 3.213 0 40 HGAB COc1ccc(CN2CC[C@H](O)[C@H](O)COCCCCOc3ccccc32)cc1 1615161766 PNQIIZMWBBBHFI-FCHUYYIVSA-N 401.503 3.003 0 40 HGAB O=C(c1cc(C2CCOCC2)ncn1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 1888863741 FLUBTTTUAZYDLD-UHFFFAOYSA-N 420.435 3.352 0 40 HGAB CCOC(=O)C1=C(c2ccccc2)N=C2SCC(=O)N2[C@@H]1c1ccc(O)c(OC)c1 1007137 CKHMWBASBIDHRZ-HXUWFJFHSA-N 424.478 3.361 0 40 HGAB CCOC(=O)c1[nH]c(COC(=O)[C@]2(C)CC2(Cl)Cl)c(C(=O)OCC)c1C 3247306 IDNWBIGHNIQADG-INIZCTEOSA-N 406.262 3.304 0 40 HGAB COc1ccc(Cl)cc1NC(=O)[C@H](C)OC(=O)c1cc(=O)[nH]c2ccccc12 3514267 BMWQBDFRWQBIFV-NSHDSACASA-N 400.818 3.374 0 40 HGAB CC(=O)N1[C@@H](c2ccccc2OC(=O)c2ccc(Cl)nc2)C[C@]2(C)CC(=O)N[C@H]12 4108729 FAJVUSBZVPZYMF-IPHXSNPTSA-N 413.861 3.100 0 40 HGAB Cc1ccc(C)c(NC(=O)c2ccc(S(=O)(=O)N(C)C[C@@H]3CCCO3)cc2)c1 4348222 NYZVRCDQLKXFQI-SFHVURJKSA-N 402.516 3.355 0 40 HGAB CCCOc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccccc3C)CC2=O)cc1 4369283 XFTQHHCWPDCPTH-KRWDZBQOSA-N 410.470 3.319 0 40 HGAB COc1cc(C(=O)O[C@H](C)C(=O)NC(=O)NC2CCCCC2)ccc1OC(F)F 4370263 JIKYPGDOGGYWJS-LLVKDONJSA-N 414.405 3.000 0 40 HGAB COc1ccccc1-c1cc(C(F)(F)F)nc(S[C@H]2CC(=O)[C@H]3OC[C@@H]2O3)n1 4452308 PZMORQKSAZIXSI-DZKIICNBSA-N 412.389 3.346 0 40 HGAB Cc1cc(O[C@@H](C)C(=O)N(Cc2ccco2)[C@H]2CCS(=O)(=O)C2)ccc1Cl 5155891 GBBRRTDDGCLIBU-GJZGRUSLSA-N 411.907 3.225 0 40 HGAB COc1ccc(C(=O)N2CCN(c3nc4ccc(OC)cc4s3)CC2)c(OC)c1 5181091 VJNCUCOGQSQJHY-UHFFFAOYSA-N 413.499 3.285 0 40 HGAB CCO[C@@H]1C[C@H](n2cnc3c(Nc4ccc(Cl)cc4)nc(C)nc32)[C@H](O)CO1 5812286 OEEHBHGFJYAGQG-XHSDSOJGSA-N 403.870 3.217 0 40 HGAB OCCNc1nc2ccccc2n1Cc1nnc(-c2ccc(Br)cc2)o1 6587582 DSLSYYIGXATIDK-UHFFFAOYSA-N 414.263 3.301 0 40 HGAB CCOc1cc(C(=S)N2CCOCC2)ccc1OCC(=O)Nc1cccc(C)c1 6960867 TZXYLCRWVPENQC-UHFFFAOYSA-N 414.527 3.419 0 40 HGAB COc1cc2c(cc1OC)CN(C(=O)COC(=O)c1ccc3ncsc3c1)CC2 7151550 KHXGXOCYLJCLBZ-UHFFFAOYSA-N 412.467 3.055 0 40 HGAB COc1ccccc1NS(=O)(=O)c1ccc(OC)c(C(=O)N2CCC(C)CC2)c1 7363452 CFTKMOWLLDHTQT-UHFFFAOYSA-N 418.515 3.377 0 40 HGAB CCN1c2ccc(S(=O)(=O)N3CCOCC3)cc2N(Cc2ccc(C)s2)[C@@H]1C 7714849 BBNXRSNLJIXRMW-MRXNPFEDSA-N 421.588 3.270 0 40 HGAB Cc1ccc(CN(C)C(=O)CN2C(=O)N[C@@]3(CCCc4ccccc43)C2=O)c(C)c1 7820811 ZKRADNUFIUDZCC-XMMPIXPASA-N 405.498 3.045 0 40 HGAB O=C(COC(=O)CCC(=O)NC1CCCCC1)Nc1cccc(C(F)(F)F)c1 7939812 KYTYECBEJRBCTA-UHFFFAOYSA-N 400.397 3.416 0 40 HGAB COc1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)cc1 7969505 CSEHMAHEIZQCIW-UHFFFAOYSA-N 402.516 3.108 0 40 HGAB CC(C)c1ccc(OCc2n[nH]c(=S)n2NC(=O)c2ccc3[nH]nnc3c2)cc1 8389554 PTLMGTSYZWFONJ-UHFFFAOYSA-N 409.475 3.298 0 40 HGAB Cc1ccc(C)n1NC(=O)c1cccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)c1 8475608 OYHFGZLFSNMYAT-IBGZPJMESA-N 416.481 3.480 0 40 HGAB O=C(Nc1ccc2c(c1)OCO2)[C@@H]1Sc2nnc(C3CC3)n2N=C1c1ccccc1 8924591 DNGDQLZJKBMIIU-GOSISDBHSA-N 419.466 3.250 0 40 HGAB CN(Cc1ccc(Br)s1)C(=O)Cn1cc(C(F)(F)F)ccc1=O 9514778 IDLKZIQJHJRPLN-UHFFFAOYSA-N 409.227 3.350 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccccc3C)C2)cc1C 9974348 QKHJCAJAVTWDNO-KRWDZBQOSA-N 402.516 3.351 0 40 HGAB COc1ccc(F)cc1S(=O)(=O)N1CCC(C(=O)N[C@H](C)c2ccccc2)CC1 10302832 FAFFBBASDDORCS-OAHLLOKOSA-N 420.506 3.112 0 40 HGAB COc1ccc(F)cc1S(=O)(=O)N1CCC(C(=O)Nc2ccc(C)c(C)c2)CC1 10302909 ABQRJAUSKQFGKB-UHFFFAOYSA-N 420.506 3.491 0 40 HGAB CC(=O)c1cccc(S(=O)(=O)NCCC(=O)Nc2ccc(C(C)(C)C)cc2)c1 11596983 JTANNVWBFFQZCS-UHFFFAOYSA-N 402.516 3.494 0 40 HGAB COc1cccc(NC(=O)N2CCN(c3ccc(Nc4cc(C)ccn4)nn3)CC2)c1 11696928 BXSXZVWGLRXZIB-UHFFFAOYSA-N 419.489 3.286 0 40 HGAB CS(=O)(=O)c1cc(Cl)cnc1C1CCN(C(=O)c2cc(C3CC3)on2)CC1 12186890 MECGAQQLOBJKPP-UHFFFAOYSA-N 409.895 3.024 0 40 HGAB Cc1cc(C(F)F)nn1CC(=O)NC1CCN(CC2(c3ccccc3)CC2)CC1 12187171 CRNUYRIQMFLBEG-UHFFFAOYSA-N 402.489 3.442 0 40 HGAB COc1ncc(-c2nc(NCCCN(C)C)ncc2-c2ccsc2)c(OC)n1 12252680 CEBQBVZZZGNDEJ-UHFFFAOYSA-N 400.508 3.043 0 40 HGAB Cc1sc(NS(=O)(=O)c2ccc(Cl)cc2)nc1C(=O)NCc1ccncc1 12321749 DSWGQERUTVDXOB-UHFFFAOYSA-N 422.919 3.231 0 40 HGAB COc1ccc(CCN2CC3=C(C2=O)[C@@H](c2ccc(SC)cc2)NC(=O)N3)cc1 12347220 YKQTYTHELOYYBD-HXUWFJFHSA-N 409.511 3.110 0 40 HGAB Cc1ccc(Oc2ccccc2NS(=O)(=O)c2cccc(S(N)(=O)=O)c2)cc1 12525866 DRMXHOYXORBNTH-UHFFFAOYSA-N 418.496 3.236 0 40 HGAB COc1ccc(CCNC(=O)c2cc3cc(N(C)S(C)(=O)=O)ccc3s2)cc1 13609733 ISBFNUXPFCYACO-UHFFFAOYSA-N 418.540 3.278 0 40 HGAB O=C(Cc1csc(SCC(=O)c2ccc3c(c2)OCO3)n1)NC1CCCC1 13654636 JSBJUUCRVVFQFU-UHFFFAOYSA-N 404.513 3.448 0 40 HGAB Cc1c(-c2ccccc2)c(=O)oc2c3c(ccc12)OCN([C@H]1CCS(=O)(=O)C1)C3 13693180 CBOMUVRAPCUOKC-INIZCTEOSA-N 411.479 3.107 0 40 HGAB biogenic Cc1ccccc1CN(C)C(=O)CSc1nnc([C@@H]2COc3ccccc3O2)n1C 14251872 RWUSYYGWNINAGK-IBGZPJMESA-N 424.526 3.387 0 40 HGAB O=C1NC2(CCCCCC2)C(=O)N1C[C@H](O)COc1ccc(Cl)cc1Cl 14253969 CGPOLIJKJIWCBZ-ZDUSSCGKSA-N 401.290 3.378 0 40 HGAB C[C@@H](C(=O)N[C@H](C)c1ccc(F)cc1)N1CCC(C(=O)Nc2ccccc2O)CC1 15043765 YHUZNBCTZHINTR-CVEARBPZSA-N 413.493 3.448 0 40 HGAB COC(=O)c1ccc(S(=O)(=O)N(C)Cc2c(C)nn(-c3ccccc3)c2C)cc1 15335677 TVVWYXAUNIRVKQ-UHFFFAOYSA-N 413.499 3.096 0 40 HGAB CC(C)C(=O)N1CCC[C@H](c2cc3nc4c(c(O)n3n2)CN(C2CCCC2)CC4)C1 19085504 YSXNOAKFEUXACK-INIZCTEOSA-N 411.550 3.098 0 40 HGAB Cc1nc(C)n([C@@H](C)CC(=O)N2CCN(Cc3ccccc3F)C[C@@H]2C(C)C)n1 19285661 YLJIEVFUOGGDMI-HRAATJIYSA-N 401.530 3.354 0 40 HGAB CC(C)c1cc(C(F)(F)F)c2c([C@@H]3CCCN(C(=O)Cn4cncn4)C3)noc2n1 19452044 ULODZIPKEQIKON-GFCCVEGCSA-N 422.411 3.363 0 40 HGAB Cc1nn(C)cc1-c1cc(C(=O)Nc2ccc(OCC(=O)N3CCCCC3)cc2)no1 19584051 MPXMAFXOLPGYDW-UHFFFAOYSA-N 423.473 3.027 0 40 HGAB Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)c1cc(-c2ccnn2C)nc2ccccc12 19716547 OXCMNLNZOIPDGL-CQSZACIVSA-N 402.502 3.347 0 40 HGAB COc1cc2c(cc1OC)N(C)S(=O)(=O)C(C(=O)Nc1cccc(C)c1C)=C2C 20063956 IMDMYGZXUJIHMR-UHFFFAOYSA-N 416.499 3.470 0 40 HGAB COc1ccc(C(=O)NC(=S)Nc2ccc(CN3CCOCC3)cc2)cc1Cl 20234177 CAFYEPYVBRKNIF-UHFFFAOYSA-N 419.934 3.308 0 40 HGAB Cc1cccc(C)c1N1C(=O)/C(=C/NCCCN2CCOCC2)c2ccccc2C1=O 20533323 KCSSTZCKTAOLDO-OQKWZONESA-N 419.525 3.143 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)NCCSCc1ccccc1 21930804 ZEDSUOZRWXMFKE-UHFFFAOYSA-N 418.584 3.443 0 40 HGAB CCCNS(=O)(=O)c1ccc(OCC(=O)N[C@@H](C)c2ccc(F)cc2)c(C)c1 22537307 KGUBNCQLVFCYQW-HNNXBMFYSA-N 408.495 3.079 0 40 HGAB O=C(Nc1nc(CC(=O)N2CCN(Cc3ccccc3)CC2)cs1)c1ccccc1 22699189 BGKRLZIAGUCXGT-UHFFFAOYSA-N 420.538 3.282 0 40 HGAB CCC[C@H](NC(=O)[C@H](C)Sc1ccc(S(=O)(=O)N(C)C)cn1)c1ccccc1 24939139 PLDMPKZTVKJAKC-YJBOKZPZSA-N 421.588 3.470 0 40 HGAB c1ccc(N2CCN([C@H](c3cccnc3)c3nnnn3C3CCCCC3)CC2)cc1 25176989 UJDWZGYRGIIOMQ-JOCHJYFZSA-N 403.534 3.485 0 40 HGAB COc1ccc(Nc2nc3ccccc3s2)cc1S(=O)(=O)N1CCOCC1 25369520 WWCLQPODFMEUBT-UHFFFAOYSA-N 405.501 3.069 0 40 HGAB Cc1ccc(S(=O)(=O)CCC(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1 25395284 UTRCWXGWBYCSGH-VMPITWQZSA-N 412.555 3.016 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(CCC(=O)Nc2cccc(C(C)=O)c2)cc1 26766525 SGUGWDQSVCNXOU-UHFFFAOYSA-N 402.516 3.491 0 40 HGAB COc1ccc(O[C@H](C)C(=O)O[C@@H](C)C(=O)Nc2ccc(OC)cc2OC)cc1 28887095 QUMNFTDTDNEFPG-UONOGXRCSA-N 403.431 3.050 0 40 HGAB COc1ccc(C(=O)N2CCN(C(=O)c3ccccc3Br)CC2)cc1 29117917 KLWALSPKXOVCHN-UHFFFAOYSA-N 403.276 3.056 0 40 HGAB CC(C)n1nccc1N(CC(=O)Nc1ccc(F)cc1)S(=O)(=O)c1ccccc1 29466502 BJFPDXYWZUQJQG-UHFFFAOYSA-N 416.478 3.437 0 40 HGAB CC[C@H](NC(=O)CN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O)c1ccccc1 30853901 MSLISSLZCZSUFB-KRWDZBQOSA-N 410.923 3.382 0 40 HGAB COCCC(=O)NC[C@@H]1C=C(C)[C@H](CC(=O)N(C)Cc2cccnc2)C[C@H]1C(C)C 30881870 XRKJGAUIWUKVFY-FKBYEOEOSA-N 415.578 3.437 0 40 HGAB biogenic,in-vitro COc1cccc(-n2cnc3cc(C(=O)NCCc4ccc(O)cc4)ccc3c2=O)c1 32092415 LXVXNBKCJGFKHY-UHFFFAOYSA-N 415.449 3.072 0 40 HGAB CCOc1cccc2cc([C@H](C)NC(=O)c3cccc(S(=O)(=O)NC)c3)oc12 32748294 JJAHVSLBHRGNEJ-ZDUSSCGKSA-N 402.472 3.231 0 40 HGAB CC(=O)N1CCc2cc(NC(=O)[C@H]3CCCN(C(=O)Nc4ccccc4)C3)ccc21 32768295 ISQPHPRTKTYRCW-SFHVURJKSA-N 406.486 3.478 0 40 HGAB Cc1ccc(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@@]4(C(=O)Nc5ccc(C)cc54)[C@@H]3C2=O)c(C)c1 33712670 WVCQVSWAKIRRIC-UGCAPWQASA-N 415.493 3.043 0 40 HGAB biogenic CC[C@@H](C)[C@@H](NC(=O)N1CCc2nc[nH]c2[C@@H]1c1cc(Cl)ccc1F)C(=O)OC 36569527 ADRAJSOYDBQBDU-ONUMYQOESA-N 422.888 3.447 0 40 HGAB Cc1cc(C)nc(-n2ccc3nc4nc(C)nn4c(-c4ccc(Cl)cc4)c3c2=O)n1 38828895 FUKKDEDWNXMNSE-UHFFFAOYSA-N 417.860 3.464 0 40 HGAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)NCc2ccc(C)cc2)cc1C 39986164 HPAVEDUNKUUPAT-UHFFFAOYSA-N 404.532 3.029 0 40 HGAB Cc1ccc(NC(=S)c2c(N)nc(N3CCc4ccccc4C3)[nH]c2=O)c(C)c1 40385582 JMPWXFKSDPJFDX-UHFFFAOYSA-N 405.527 3.319 0 40 HGAB Cc1cc(C(=O)N2CCN(C(=O)Nc3ccc(Oc4cnccn4)cc3)CC2)c(C)o1 48333869 KEGRVHYRJHPKCM-UHFFFAOYSA-N 421.457 3.469 0 40 HGAB COc1ccccc1-n1nnc(C(=O)NCc2ccccc2F)c1-c1ccncc1 49003461 CZEZOJLFYHMHSY-UHFFFAOYSA-N 403.417 3.407 0 40 HGAB CN1CCN(CCc2ccc(NC(=O)c3cccnc3N3CCCCC3)cc2)CC1 56041569 NYWRNEINSVKNON-UHFFFAOYSA-N 407.562 3.114 0 40 HGAB Cc1nn(C)c(C)c1[C@H](C)NC(=O)CCCN1C(=O)c2cccc3cccc(c23)C1=O 58014891 DCHHJDAHJVDYAJ-AWEZNQCLSA-N 418.497 3.444 0 40 HGAB COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CCC[C@H]1c1ccsc1 58581741 KGYUCIYERCWPDN-PMACEKPBSA-N 411.527 3.267 0 40 HGAB Cc1nc2ccc(Cl)cc2cc1C(=O)Nc1ccccc1C(=O)NCCC(N)=O 71889043 FHTDSCDNBBBJQL-UHFFFAOYSA-N 410.861 3.054 0 40 HGAB O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)NCc1ccc(F)cc1C(F)(F)F 72281652 OKWCWCHLJLDDFW-DZKIICNBSA-N 419.444 3.187 0 40 HGAB Cc1nc([C@H]2CCN(C(=O)c3c[nH]nc3C)C2)ncc1C(=O)Nc1ccc(Cl)cc1 72351974 YXJUHBWJTYLCDH-AWEZNQCLSA-N 424.892 3.352 0 40 HGAB O=C(CCCc1cccs1)Nc1cccc(C(=O)NCCC(=O)N2CCCC2)c1 89779641 GHHWDFSQVBGDNF-UHFFFAOYSA-N 413.543 3.452 0 40 HGAB Cc1ccccc1CCNC(=O)CCn1c(S)nc2cc(Cl)ccc2c1=O 101507752 PCHBIIFPSPJHHS-UHFFFAOYSA-N 401.919 3.396 0 40 HGAB CCCS(=O)(=O)N1CCC[C@H](C(=O)N[C@H](c2ccccc2)c2ccc(F)cc2)C1 109039002 YPAUWXGHTAPXTK-PZJWPPBQSA-N 418.534 3.483 0 40 HGAB COc1ccc(S(=O)(=O)N(CC(=O)NCC(C)C)c2cccc(Cl)c2)cc1 113937978 RSPBFOHSTMCUJQ-UHFFFAOYSA-N 410.923 3.316 0 40 HGAB C[C@H](C(=O)NCCOc1ccc(C(C)(C)C)cc1)N(c1ccccc1)S(C)(=O)=O 223706010 MGCZLQIHSIEVEE-QGZVFWFLSA-N 418.559 3.334 0 40 HGAB COc1ccc(S(=O)(=O)NCCOc2ccccc2C(C)(C)C)cc1NC(C)=O 223733346 XEDPQVQLMLKPHW-UHFFFAOYSA-N 420.531 3.308 0 40 HGAB Cc1cccc(N(CCCC(=O)NCCOc2cccc(C)c2C)S(C)(=O)=O)c1 223949984 OFKKADJJEFGYEG-UHFFFAOYSA-N 418.559 3.353 0 40 HGAB CC(C)(Cc1ccccc1)NC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 225494273 HTIJRSIBJHDRFR-UHFFFAOYSA-N 418.534 3.364 0 40 HGAB COc1cccc(N(C)C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)c1 226077164 JTCLAQYZBALFNA-QGZVFWFLSA-N 402.516 3.067 0 40 HGAB CN1C[C@H](C(=O)Nc2cccc(F)c2)C[C@H]1C1CCN(C(=O)c2cccnc2)CC1 248113158 IBLPGNRRSLZDQO-NQIIRXRSSA-N 410.493 3.032 0 40 HGAB CC1(C)CN(C(=O)c2ccccc2F)C[C@@H]2CN(C(=O)c3ccc(F)cc3)CCN21 253403339 PSDSQICHPOJGEE-SFHVURJKSA-N 413.468 3.026 0 40 HGAB biogenic,in-vitro Cc1ccc(CNC(=O)COc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1 408612798 YWRXFYYQMMMORF-UHFFFAOYSA-N 416.543 3.255 0 40 HGAB O=C(CCCN1c2cccc3cccc(c23)S1(=O)=O)NCCN1CCCCCC1 408704998 WVNVPYQWGBZLCE-UHFFFAOYSA-N 415.559 3.121 0 40 HGAB CCn1cc(NC(=O)[C@H]2CCC(=O)N(C)[C@@H]2c2ccc(C(F)(F)F)cc2)ccc1=O 524537917 FJKFLYGAGHQJKH-QFBILLFUSA-N 421.419 3.435 0 40 HGAB Cc1cc(Br)ccc1Cc1noc(Cn2nnc(-c3ccccc3)n2)n1 547192750 COLXBBKMMXRLDS-UHFFFAOYSA-N 411.263 3.433 0 40 HGAB COCc1ccccc1-c1cnc2n1CCN(C(=O)c1ccc3c(c1)OCO3)CC2 585111149 GSHMLBWWTPQXHZ-UHFFFAOYSA-N 405.454 3.124 0 40 HGAB O[C@H](COCc1ccccc1Cl)CN1CCC[C@@H](c2nnc3n2CCCCC3)C1 613409545 HSWVPORDMRZURA-MJGOQNOKSA-N 418.969 3.415 0 40 HGAB O=C(N[C@H]1CCN(C(=O)Nc2ccccc2)C1)c1cccc(Nc2ncccn2)c1 669943294 SKMOKOUBWOJIKJ-IBGZPJMESA-N 402.458 3.256 0 40 HGAB COc1ccc(C(=O)[C@H](NCCc2ccc(O)cc2)c2oc(C)cc(=O)c2O)cc1 1547138662 DWOMFQMIARWVBB-FQEVSTJZSA-N 409.438 3.124 0 40 HGAB biogenic COCc1nsc(N2CCC(COc3ccc4nc(C(C)(C)C)cn4n3)CC2)n1 1888890348 OACWQNXSCVVHCW-UHFFFAOYSA-N 416.551 3.320 0 40 HGAB COc1ccccc1NC(=O)CSc1nnc(CCc2nc3ccccc3[nH]2)n1C 892147 PURFDNZZCFPJEU-UHFFFAOYSA-N 422.514 3.216 0 40 HGAB CSCC[C@@H](NC(=O)/C(=C/c1ccc(Cl)cc1)NC(=O)c1ccco1)C(=O)O 2949448 JZNHBMVRHOSNRJ-ADVGAGMGSA-N 422.890 3.026 0 40 HGAB CCOC(=O)[C@@](NC(=O)c1ccccc1OCC)(Nc1cc(C)on1)C(F)(F)F 3103569 RFZBUYLIQMWIHG-KRWDZBQOSA-N 415.368 3.045 0 40 HGAB COc1ccc(Nc2nnc(SCC(=O)NC(=O)NCc3ccco3)s2)cc1 3500432 RGUGMFVALSXZTQ-UHFFFAOYSA-N 419.488 3.001 0 40 HGAB Cc1nnc(SCC(=O)Nc2ccc(Br)cc2F)n1-n1cccc1 4518488 HSMISNPPGLBMLC-UHFFFAOYSA-N 410.272 3.332 0 40 HGAB COc1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(OC)c3)C(=O)N2C(C)C)cc1 4699916 IYOXIZMQLSXVRY-LJQANCHMSA-N 411.458 3.278 0 40 HGAB CCC(C)(C)NC(=O)CN(C(=O)CCC(=O)Nc1ccccn1)c1ccccc1C 4848229 DJPVZKNGXYNUBV-UHFFFAOYSA-N 410.518 3.447 0 40 HGAB COc1cc([C@H]2CC(=O)N(c3cc(C)cc(C)c3)C3=C2C(=O)OC3)cc(OC)c1O 4944690 ONAQLARPCRYAOM-MRXNPFEDSA-N 409.438 3.358 0 40 HGAB Cc1cc2c(cc(C(=O)O[C@@H](C)C(=O)NCc3ccc4c(c3)OCO4)n2C)s1 4967140 UWYIFULJTZTXCE-LBPRGKRZSA-N 400.456 3.139 0 40 HGAB Cc1ccc2nc(N(CCN(C)C)C(=O)c3ccc(S(C)(=O)=O)cc3)sc2c1 5242552 WHGJIECNPKEJOV-UHFFFAOYSA-N 417.556 3.217 0 40 HGAB CC[C@@]1(c2ccc(OC)cc2)NC(=O)N(CC(=O)c2cc(C)n(C3CC3)c2C)C1=O 5264791 JELFVHCBBTTXCE-QHCPKHFHSA-N 409.486 3.488 0 40 HGAB Cc1ccc(CS(=O)(=O)c2ncc(Cl)c(C(=O)NCc3ccccc3)n2)cc1 6748074 PHRKJOBNFCSHMN-UHFFFAOYSA-N 415.902 3.342 0 40 HGAB Cc1cccc2sc(NC(=O)[C@H]3CC(=O)N(c4ccc5c(c4)OCCO5)C3)nc12 6790676 XBUUYJMCIPMHMO-ZDUSSCGKSA-N 409.467 3.368 0 40 HGAB CN(c1ccc(Cl)cc1)S(=O)(=O)c1nnc(NC(=O)c2ccccc2)s1 6818440 ZOOYNDJXDQHQAU-UHFFFAOYSA-N 408.892 3.269 0 40 HGAB C[C@H](NC(=O)CN1C(=O)N[C@@](Cc2ccccc2)(c2ccccc2)C1=O)c1ccco1 7329356 ZITKQZCJBAEOCY-XDHUDOTRSA-N 417.465 3.147 0 40 HGAB COc1ccccc1OCc1nnc(SCC(=O)Nc2nc(C)c(C)s2)n1C 7341924 JOKJRECQGSJPST-UHFFFAOYSA-N 419.532 3.207 0 40 HGAB COc1ccc(OC)c(N2C[C@H](C(=O)OCC(=O)c3ccc(Cl)cc3)CC2=O)c1 7881549 XDMQBMKGFMQTDG-CQSZACIVSA-N 417.845 3.136 0 40 HGAB COc1ccc(C)cc1[C@H](C)NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl 7922825 PERZDMXLFWQBTI-ZDUSSCGKSA-N 410.923 3.398 0 40 HGAB COc1ccc(Cc2nnc(SCC(=O)Nc3cccc4nsnc34)o2)cc1 8333483 SZTAYQXMAKMULY-UHFFFAOYSA-N 413.484 3.405 0 40 HGAB C[C@]1(c2ccc3c(c2)OCCO3)NC(=O)N(Cc2cc(-c3ccccc3)on2)C1=O 9503379 GKXUTIWKSNOMAR-JOCHJYFZSA-N 405.410 3.080 0 40 HGAB COc1ccc(C(=O)N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)cc1S(=O)(=O)NC1CC1 9604274 CMDMUKBAGOZXIO-IIDMSEBBSA-N 406.548 3.225 0 40 HGAB Nn1c(SCC(=O)Nc2ccc(Br)cc2)nnc1-c1cccc(F)c1 9800809 FCWXGPYVFHVQEH-UHFFFAOYSA-N 422.283 3.291 0 40 HGAB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NC1CC1)c1ccc(C)c(Cl)c1 10299706 WZCXJVDERALRNY-UHFFFAOYSA-N 422.934 3.439 0 40 HGAB O=C(CCC1CCCCC1)NCCCS(=O)(=O)N1CCN(c2ccccc2)CC1 11796014 OTXWUWVSNPKWJP-UHFFFAOYSA-N 421.607 3.005 0 40 HGAB C[C@H](OC(=O)[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1)C(=O)NC1CCCCC1 12092657 WAQUQUJLNLPKCS-GOEBONIOSA-N 406.910 3.069 0 40 HGAB O=C(Nc1nnc(C2CC2)s1)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 12730954 HTDRRYBEJVPPSO-UHFFFAOYSA-N 400.485 3.469 0 40 HGAB COc1cc(OC)c(NCC(=O)Nc2ccc3c(c2)CCN3C(C)=O)cc1Cl 12762616 KQCHPCNNACPNIV-UHFFFAOYSA-N 403.866 3.317 0 40 HGAB Cc1cc2nc(C)c(CCC(=O)N(C)Cc3cnn(Cc4ccccc4)c3)c(C)n2n1 12931112 WWRFWSRXEKDLOD-UHFFFAOYSA-N 416.529 3.491 0 40 HGAB CCN(Cc1ccc(OC)c(F)c1)C(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 12992510 WHXSQRRIPLXILM-UHFFFAOYSA-N 420.506 3.281 0 40 HGAB COc1ccc(C2=NO[C@]3(C(=O)Nc4ccccc43)[C@H]2C(=O)c2ccco2)c(OC)c1 13557178 CYTJZHFCFDYJGP-XXBNENTESA-N 418.405 3.378 0 40 HGAB COc1ccc(S(=O)(=O)N(CC(=O)N2CCC[C@@H](C)C2)c2ccccc2)cc1 13674103 OQWJKIPZWYIEMV-QGZVFWFLSA-N 402.516 3.149 0 40 HGAB C[C@H]1c2ccsc2CCN1C(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 14180207 HDLRHCQOLVQFHR-HNNXBMFYSA-N 404.557 3.295 0 40 HGAB C[C@@H](SCc1nc(N)nc(Nc2ccccc2)n1)C(=O)NCCc1ccccc1 15495196 VITYEKWZDZWMBH-OAHLLOKOSA-N 408.531 3.178 0 40 HGAB CC(C)(C)C(=O)[C@@H]1[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=NN12 16038881 YWTQOLURXZNQEK-HAGHYFMRSA-N 419.456 3.320 0 40 HGAB CC(=O)Nc1nnc(SCc2cc(=O)c(OC(=O)c3cccc(F)c3)co2)s1 16047733 MTZMYYPCJHNOOT-UHFFFAOYSA-N 421.431 3.100 0 40 HGAB COc1ccc(N2C[C@@H](C(=O)NCc3cc(-c4ccccc4F)on3)CC2=O)cc1 16838522 ZGGJGENPWYYOCV-AWEZNQCLSA-N 409.417 3.159 0 40 HGAB CC(C)C[C@H](NC(=O)C1CCC(C)CC1)C(=O)N1CCN(c2ccccn2)CC1 18217901 ORMNUNLPLQXJAO-MHJFOBGBSA-N 400.567 3.087 0 40 HGAB CC(C)(C)C(=O)N1CCCc2cc([C@H](O)CN3CCN(c4ccccn4)CC3)ccc21 19081440 NFELNRUYUUPVDU-JOCHJYFZSA-N 422.573 3.263 0 40 HGAB c1ccc(Cn2nnnc2[C@H](c2cccnc2)N2CCN(C3CCCCC3)CC2)cc1 19363510 PQYHSKFDBZABDY-QHCPKHFHSA-N 417.561 3.156 0 40 HGAB CCNC(=O)[C@@]1(Cc2ccc(-c3ccccc3F)cc2)CCCN(C(=O)COC)C1 19528522 RLSQUQVWNUIBDZ-XMMPIXPASA-N 412.505 3.427 0 40 HGAB COc1ccccc1N1C[C@H](c2cc(=O)[nH]c(N[C@H]3CCc4ccccc43)n2)CC1=O 19571076 MJPUJDFQDJVRDP-AEFFLSMTSA-N 416.481 3.398 0 40 HGAB CN(C)c1ncc(-c2ccncc2)c([C@H]2CCCN2C(=O)COc2ccccc2F)n1 19585289 NJTNRFNVVGEIKF-LJQANCHMSA-N 421.476 3.486 0 40 HGAB COc1ccc(-c2cnc(N(C)C)nc2[C@H]2CN(c3nc(C)cc(C)n3)CCO2)cc1 19692813 ZVAQKWDHRAZFHQ-HXUWFJFHSA-N 420.517 3.203 0 40 HGAB Cc1cccnc1CNS(=O)(=O)c1ccc2c(c1)[C@@H](NC(=O)c1ccccc1)CC2 19749571 WZUUIGRELXKMTG-NRFANRHFSA-N 421.522 3.286 0 40 HGAB COC(=O)c1c(C)nc2ccn(-c3nnc(C)[nH]3)c(=O)c2c1-c1cccc(Cl)c1 19821624 RDBUBCCOHCGCTK-UHFFFAOYSA-N 409.833 3.228 0 40 HGAB COc1ccc(C)cc1S(=O)(=O)N1CCC(C(=O)Nc2cc(F)ccc2C)CC1 20016719 XOJKTXZTBONROG-UHFFFAOYSA-N 420.506 3.491 0 40 HGAB COCCNc1nc2sc3c(c2c(=O)n1-c1ccc(Cl)cc1)CCN(C)C3 20461472 QSWYJJORKVXKER-UHFFFAOYSA-N 404.923 3.147 0 40 HGAB COc1cc(C(=O)Nc2nn3c(-c4cccs4)nnc3s2)cc(OC)c1OC 20486412 UFHRZRAIYGRGHD-UHFFFAOYSA-N 417.472 3.192 0 40 HGAB Cc1ccc(-c2csc(NC(=O)CCCN3C(=O)NC(C)(C)C3=O)n2)cc1C 22065583 VYKCJHGEIRWINW-UHFFFAOYSA-N 400.504 3.476 0 40 HGAB COc1ccc([C@@H](C)NC(=O)CN(c2ccc(OC(C)C)cc2)S(C)(=O)=O)cc1 22397397 DWTONHWZJGRHMG-MRXNPFEDSA-N 420.531 3.126 0 40 HGAB C/C=C\C1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)[C@@H](N)[C@H]2SC1 26892939 KGHADALWBFAJHM-DQMDSDHPSA-N 406.507 3.392 0 40 HGAB C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)CSCc1ccc(Cl)cc1 28314377 JIMRVJAYHSZGCL-ZDUSSCGKSA-N 412.964 3.440 0 40 HGAB COc1ccccc1N1C(SCc2ccc(C)cc2)=N[C@H]2CS(=O)(=O)C[C@H]21 32640733 SJNCFVDGZCMJIW-FUHWJXTLSA-N 402.541 3.279 0 40 HGAB COc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)O[C@@H]2C[C@@H](C)OC2=O)cc1 32736674 MSFOSTWYTYVNKI-FOIQADDNSA-N 406.438 3.468 0 40 HGAB Cc1ccccc1C(=O)N[C@H](C(=O)Nc1ccc(N2CCN(C)CC2)c(C)c1)C(C)C 32843489 UMGIFXHTHZSGIP-QHCPKHFHSA-N 422.573 3.448 0 40 HGAB C[C@@H]1Oc2ccccc2O[C@H]1C(=O)Nc1c(C(=O)N2CCOCC2)oc2ccccc12 32857730 CCOVVBFUYFLBCY-VBKZILBWSA-N 422.437 3.072 0 40 HGAB Cc1nc(-c2c(C)c(C)nn(C)c2=O)sc1C(=O)Nc1ccc(N2CCCC2)nc1 32934185 FPMFGXVGPSMLAC-UHFFFAOYSA-N 424.530 3.077 0 40 HGAB O=C(Nc1nc(-c2ccc(Br)cc2)cs1)[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)O 33690036 XCCBLJLLIOMBMK-RQJABVFESA-N 423.288 3.389 0 40 HGAB Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)NCCN(C)C)ccc2Cl)c1 37020530 UHJUTJWPDUXDEZ-UHFFFAOYSA-N 409.939 3.049 0 40 HGAB O=C1C[C@H](C(=O)NC2CCN(c3ccc(C(F)(F)F)cn3)CC2)c2ccccc2N1 40134430 CBJHLIGIYSTZTR-INIZCTEOSA-N 418.419 3.311 0 40 HGAB COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)cc1 40141111 QDMCVTDZHWVRPE-IHRRRGAJSA-N 422.469 3.307 0 40 HGAB C[C@@H]1c2[nH]c3ccccc3c2CCN1CC(=O)NCC(=O)Nc1ccc(F)c(F)c1 40154667 YUVFKPSKBTYKCE-CYBMUJFWSA-N 412.440 3.120 0 40 HGAB Cc1ccc(OCC(=O)NCc2cc(=O)n3nc(-c4cccc(C)c4)sc3n2)cc1 41078165 IHOXDELYXNYIDE-UHFFFAOYSA-N 420.494 3.130 0 40 HGAB CCCC(=O)NC1CCN(Cc2cc(=O)n3c(-c4ccccc4)csc3n2)CC1 48309869 OSBLUMOWOFRIFM-UHFFFAOYSA-N 410.543 3.304 0 40 HGAB CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)N[C@H](C)CN(C)c2ccccc2)cc1 48344380 MGSMFSJVSWPPIK-IAGOWNOFSA-N 403.548 3.018 0 40 HGAB CC[C@H](C)NC(=O)c1ccc(CNC(=O)c2cccc(CN3CCCC3=O)c2)cc1 48909286 UTIZQDAAOBWRKR-KRWDZBQOSA-N 407.514 3.267 0 40 HGAB Cc1cccc(C)c1NC(=O)Cn1nc2c(Sc3cccc(F)c3)nccn2c1=O 49009127 MDBPRNHODRRKOB-UHFFFAOYSA-N 423.473 3.437 0 40 HGAB Cc1ccccc1-c1csc2c(=O)[nH]c(N3CCC[C@@H](C(=O)NC4CC4)C3)nc12 49421418 IJBGQVLBDUGRMT-CQSZACIVSA-N 408.527 3.455 0 40 HGAB COc1ccc(NC(=O)[C@@H]2CCCN2CC(=O)N[C@@H]2CCCc3ccccc32)cc1 52714390 XEVFYCJPCCCEAF-YADHBBJMSA-N 407.514 3.292 0 40 HGAB Cc1ccc(C)c(N2CCN([C@@H](CC(C)C)c3nnnn3C[C@H]3CCCO3)CC2)c1 57670507 NEQLBBBDOZNFGI-IRLDBZIGSA-N 412.582 3.378 0 40 HGAB C[C@@H](Oc1ccc(F)cc1Br)C(=O)NC1CCN(CC(F)F)CC1 58406303 HMWNYTVJAWRRRL-SNVBAGLBSA-N 409.246 3.201 0 40 HGAB O=C(CS[C@@H]1CCS(=O)(=O)C1)N1CC=C(c2cccc3ccccc23)CC1 63691705 CZTIVEWKKMEVTH-GOSISDBHSA-N 401.553 3.376 0 40 HGAB COc1cc(N2Cc3cc(Br)ccc3OCC2=O)cc(OC)c1OC 65184322 UUTOEZDNSIPCTJ-UHFFFAOYSA-N 408.248 3.401 0 40 HGAB CCc1cccc(C)c1NC(=O)Cn1c(=O)n(Cc2ccco2)c(=O)c2ccccc21 67197178 IXIJEISDZBPABJ-UHFFFAOYSA-N 417.465 3.314 0 40 HGAB O=C(COCc1nc(-c2ccccc2)no1)Nc1ccn(Cc2ccccc2F)n1 72241462 MPPMNUHVDBQCQJ-UHFFFAOYSA-N 407.405 3.276 0 40 HGAB NC(=O)c1ccc(-c2cnc(N)nc2[C@@H]2CCCN(Cc3ccc(F)cc3)C2)cc1 72345901 CQLGSAYMSPGHGD-GOSISDBHSA-N 405.477 3.343 0 40 HGAB O=C(NCCc1cn2ccccc2n1)[C@H]1CC(c2ccc(Cl)cc2Cl)=NO1 78624056 NPFNCPNUVSYQSK-QGZVFWFLSA-N 403.269 3.493 0 40 HGAB O=C(Nc1ccc(C(=O)N2CCC(C(=O)O)CC2)cc1)c1cc2cc(F)ccc2[nH]1 95425516 NDQDLWOLAASVLF-UHFFFAOYSA-N 409.417 3.496 0 40 HGAB CCN1CC[C@@]2(CN(CC(C)C)CC23CCN(C(=O)c2cccc(F)c2)CC3)C1=O 96144328 HKLONIQFPCZROU-XMMPIXPASA-N 415.553 3.258 0 40 HGAB CC[C@H](NC(=O)CCCN1C(=O)c2ccccc2C1=O)c1ccc(OC)c(OC)c1 219140074 GXSGEDWUPOPCJV-SFHVURJKSA-N 410.470 3.348 0 40 HGAB CCOC(=O)c1ccc(C)c(NC(=O)CCCN(c2ccccc2)S(C)(=O)=O)c1 219168972 LPKSHKIYNQVNDE-UHFFFAOYSA-N 418.515 3.357 0 40 HGAB COc1ccc(-c2noc(CN(C)C(=O)[C@@H](C)Oc3ccccc3C)n2)c(OC)c1 219290807 GQULICDIBPNIOB-OAHLLOKOSA-N 411.458 3.488 0 40 HGAB O=C(COc1ccc(S(=O)(=O)N2CCCC2)cc1)NCc1cccc2ccccc12 222638505 QLXJBNZXWONQMQ-UHFFFAOYSA-N 424.522 3.320 0 40 HGAB Cc1ccc(C)c(N(CC(=O)NCCOc2ccccc2C(C)C)S(C)(=O)=O)c1 223755885 MTAWPXOMZWKCME-UHFFFAOYSA-N 418.559 3.388 0 40 HGAB COc1ccc(S(=O)(=O)N(CC(=O)O)c2cccc(Br)c2)cc1C 224636441 PWINYKDHTSWICA-UHFFFAOYSA-N 414.277 3.046 0 40 HGAB CCCOC1(C(=O)Nc2ccc(OCC(=O)N3CCOCC3)cc2)CCCCCC1 225659201 VAXYUXDAVSTUSD-UHFFFAOYSA-N 418.534 3.382 0 40 HGAB CCNC(=O)Cc1c(C)nc([C@H]2CCCN(C(=O)[C@H](C)c3ccccc3)C2)nc1C 257205004 AXFFCIFKAKQYSD-UZLBHIALSA-N 408.546 3.282 0 40 HGAB O=C(CCc1c[nH]c2ccccc12)N1CCO[C@@H](c2cccc(-c3cn[nH]c3)n2)C1 257212071 CBVCUDGPDHRQJG-JOCHJYFZSA-N 401.470 3.486 0 40 HGAB NC(=O)C[C@H]1CN(C(=O)COc2cccc(F)c2)CC[C@@H]1Oc1cccc(Cl)c1 257275910 NRMGZDHZNRXRRN-LIRRHRJNSA-N 420.868 3.029 0 40 HGAB CCN(CC)C(=O)CCc1c(C)nc2cc([C@@H]3CCCN3C(=O)C3CC3)nn2c1C 257312019 UMCJRQZYHWLCFY-FQEVSTJZSA-N 411.550 3.221 0 40 HGAB COCCN1CCC[C@]2(CN(Cc3cc(F)cc(F)c3OC)CC(F)(F)C2)C1=O 306132652 LOKPXFRUDXYVJA-IBGZPJMESA-N 418.431 3.070 0 40 HGAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccccc2OCC)cc1C 408620392 JJUSFKZUJHQCIY-OAHLLOKOSA-N 406.504 3.098 0 40 HGAB Cc1ccc(CNC(=O)C(=O)Nc2ccccc2C(=O)NCc2ccccc2C)cc1 408709929 ZPJKEDYUDVUICL-UHFFFAOYSA-N 415.493 3.488 0 40 HGAB COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1C(=O)N1CCC2(CCCN2C)CC1 544942626 BLVDYJKZLCQSHY-SFHVURJKSA-N 419.953 3.040 0 40 HGAB O=C(CNC(=O)c1ccc2c(c1)CCC2)NCc1ccccc1CN1CCCCC1 547427903 FKZATYKPFSLKJS-UHFFFAOYSA-N 405.542 3.207 0 40 HGAB O=C(CCS(=O)(=O)c1ccccc1)NC[C@H](O)c1ccc(-c2cccs2)s1 606440586 DHACBUZSKLFIIR-HNNXBMFYSA-N 421.565 3.490 0 40 HGAB CCOc1ccc(-c2ccc3c(c2)CN2CCC[C@@H](C2)C(=O)NCCOCCO3)cc1 643571249 ACHJQGUJYQVBDM-NRFANRHFSA-N 424.541 3.490 0 40 HGAB O=C(Nc1cccc(N2C(=O)CCCC2=O)c1)c1cncc2nc(C(F)(F)F)[nH]c12 1556464554 WRHCTRNKIQFAFJ-UHFFFAOYSA-N 417.347 3.273 0 40 HGAB C[C@@H](Sc1ccc(F)cc1)C(=O)N1CCO[C@H](c2ccc(S(C)(=O)=O)cc2)C1 1642182023 HCIOGAWJJNIOGJ-KUHUBIRLSA-N 423.531 3.310 0 40 HGAB O=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)N1CC2(CC(c3ccccc3)C2)C1 1775971398 ZWXKIQNFSPKDDB-UHFFFAOYSA-N 410.539 3.491 0 40 HGAB CC(C)(C)c1cn2nc(OCC3CCN(C(=O)c4ccncc4F)CC3)ccc2n1 1888888184 PDAWFKHELXBJHH-UHFFFAOYSA-N 411.481 3.492 0 40 HGAB O=S(=O)(c1ccc2ncsc2c1)N1CC2(C[C@@H](N3CCCCC3)CS2)C1 2056224503 SPPCCKJDNSIGHZ-CQSZACIVSA-N 409.602 3.031 0 40 HGAB COc1ccc2cc([C@@H](c3nnnn3C3CCCC3)N3CCC(C)CC3)c(=O)[nH]c2c1 1224821 YAQLXHRVFYFQEH-NRFANRHFSA-N 422.533 3.460 0 40 HGAB CCOC(=O)CNc1nc(C(C)(C)C)nc2c1nnn2Cc1ccccc1Cl 1331197 LRNLOKTWTOHGOL-UHFFFAOYSA-N 402.886 3.196 0 40 HGAB COc1ccc(N(C(C)=O)c2cc3n(c(=O)n2)CCc2cc(OC)c(OC)cc2-3)cc1 2119571 HEEONDDUJBWQPL-UHFFFAOYSA-N 421.453 3.177 0 40 HGAB biogenic COc1cccc2[nH]c3c(N4CCN(Cc5ccc6c(c5)OCO6)CC4)ncnc3c12 2232206 QVLMDYZHUPCMPA-UHFFFAOYSA-N 417.469 3.171 0 40 HGAB O=c1c2c3c(sc2nc(NCCOCCO)n1Cc1ccccc1)CCCCC3 2443575 XYHFGCYPYWPZFS-UHFFFAOYSA-N 413.543 3.196 0 40 HGAB COc1ccc(OCC(=O)Nc2nnc(-c3ccc(OC)c(OC)c3)s2)cc1 2449486 KLWGIJRVEMUKQO-UHFFFAOYSA-N 401.444 3.248 0 40 HGAB C[C@]12CCC(=O)N1[C@@H](C(=O)OCC(=O)Nc1ccc(-c3ccccc3)cc1)CS2 2664919 SGMXFKZIMRCIJP-GCJKJVERSA-N 410.495 3.289 0 40 HGAB C[C@H](OC(=O)c1nn(C)c(=O)c2ccccc12)C(=O)Nc1cccc(C(F)(F)F)c1 3352696 BXIKKFYSTXZFSS-NSHDSACASA-N 419.359 3.136 0 40 HGAB CCOC(=O)c1c(-c2ccco2)csc1NC(=O)CSc1nnc(N)s1 3370919 VJRWOWBURJRJGP-UHFFFAOYSA-N 410.502 3.349 0 40 HGAB CCOC(=O)C1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)CC1 4195404 GKSOBZGLNITKQM-UHFFFAOYSA-N 404.470 3.350 0 40 HGAB O=C(CSc1nccn1Cc1ccc2c(c1)OCO2)Nc1ccc2c(c1)OCO2 4248834 FGDZXHVOOXZRSB-UHFFFAOYSA-N 411.439 3.120 0 40 HGAB CCC(C)(C)NC(=O)CN(C(=O)CCC(=O)Nc1ccccn1)c1ccc(C)cc1 4848231 SDHMJEDUJNRBEE-UHFFFAOYSA-N 410.518 3.447 0 40 HGAB O=C(CSc1nnc(NC(=O)Cc2cccs2)s1)NCc1ccccc1 4904429 XXQCGLRICFWTMY-UHFFFAOYSA-N 404.542 3.189 0 40 HGAB CCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)[C@@H](C)N1CCC[C@H](C)C1 5068473 GOKQVHHBOIENNV-UONOGXRCSA-N 417.506 3.421 0 40 HGAB CCOc1ccc(-c2cccc(NS(=O)(=O)c3ccc(NC(C)=O)cc3)c2)nn1 5204289 HIJJUUKOAPDQCW-UHFFFAOYSA-N 412.471 3.302 0 40 HGAB COc1cc(OC)c([C@@H]2SCC(=O)N2c2nnc(C(F)(F)F)s2)cc1OC 5759448 RJFLTIZDWWICKM-LBPRGKRZSA-N 421.422 3.361 0 40 HGAB COc1cc(C)ccc1OCC(=O)OCC(=O)c1cc(C)n(C[C@H]2CCCO2)c1C 5938150 XZHVOWAIMHGVQB-GOSISDBHSA-N 415.486 3.406 0 40 HGAB Cc1cc(NC(=O)[C@H](C)SCC(=O)Nc2ccc(C(=O)OC(C)C)cc2)no1 6648606 JNYNKCZDPRCDRJ-ZDUSSCGKSA-N 405.476 3.247 0 40 HGAB CN(C)S(=O)(=O)c1cccc(NC(=O)COc2cc(Cl)ccc2Cl)c1 7006700 XVJWUPAOHNFMJU-UHFFFAOYSA-N 403.287 3.261 0 40 HGAB CCNc1ccc(S(=O)(=O)N(C)C)cc1NCC(=O)Nc1cccc(Cl)c1C 7978476 REWRYVMPEHEVBL-UHFFFAOYSA-N 424.954 3.381 0 40 HGAB O=C(Nc1ccc(F)c(Cl)c1)[C@@H]1CCCN1S(=O)(=O)c1ccccc1F 7981166 JDFOFZHBBMKNED-HNNXBMFYSA-N 400.834 3.410 0 40 HGAB Cc1cc(C(=O)CN2C(=O)N[C@@](C)(c3ccc(F)c(F)c3)C2=O)c(C)n1C1CC1 8133116 WOGKDQWYGCAUFY-NRFANRHFSA-N 401.413 3.368 0 40 HGAB CC(=O)Nc1ccc(NC(=O)CCC(=O)OCC(=O)Nc2ccc(C)cc2C)cc1 8415108 QNUXWWPTPXWUHZ-UHFFFAOYSA-N 411.458 3.162 0 40 HGAB COc1ccc(C(=O)N[C@H](C)CCc2ccccc2)cc1S(=O)(=O)N1CCCC1 8476171 ILTARPPEEKSCQO-QGZVFWFLSA-N 416.543 3.231 0 40 HGAB CCCCCCOc1ccc(C(=O)NC(=S)NCCCO)cc1Br 8565701 CEKOHNCHNWCDER-UHFFFAOYSA-N 417.369 3.395 0 40 HGAB COc1ccc(NC(=O)NCCS(=O)(=O)c2c(C)n(C)c3ccccc23)cc1 8808467 IPYXZXAHRFIPFF-UHFFFAOYSA-N 401.488 3.091 0 40 HGAB CCn1c(C)c(C)n2c3c(=O)n(Cc4ccc(Cl)c(Cl)c4)c(=O)n(C)c3nc12 9297229 IMQOUOZWLMWMNB-UHFFFAOYSA-N 420.300 3.141 0 40 HGAB Cc1ccc(N2CCn3c2nc2c3c(=O)n(Cc3ccc(Cl)cc3)c(=O)n2C)cc1 9406714 YIALTTKOVAGUJC-UHFFFAOYSA-N 421.888 3.059 0 40 HGAB O=C1N[C@@]2(CCOc3ccccc32)C(=O)N1Cc1nnc(-c2ccc(Cl)cc2)o1 9501708 LUVSQKSNFATJGT-HXUWFJFHSA-N 410.817 3.120 0 40 HGAB O=C(CSc1nnnn1-c1ccc(O)cc1)N[C@H](c1ccccc1)c1cccs1 9537079 DOGYCLVNODCLBV-LJQANCHMSA-N 423.523 3.427 0 40 HGAB CCOC(=O)c1c(NC(=O)Cn2c(=O)n(CC)c3ccccc32)sc(C)c1C 10236639 FKRWBTLLNMKZMJ-UHFFFAOYSA-N 401.488 3.317 0 40 HGAB O=C(c1ccc(S(=O)(=O)NCc2ccco2)cc1)N1CCC[C@H](C(F)(F)F)C1 10290717 ALELQWVGCYYZSK-AWEZNQCLSA-N 416.421 3.173 0 40 HGAB O=C(CNc1ccc(C(F)(F)F)cc1)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1 11161665 NXCKOKPSBHMDRU-QGZVFWFLSA-N 412.433 3.338 0 40 HGAB Cc1cc(OCCCC(=O)NCc2ccc(N3CCOCC3)nc2)ccc1Cl 12172727 HQOPLWVKGDMNNR-UHFFFAOYSA-N 403.910 3.355 0 40 HGAB O=C(COc1cccc(F)c1)N1CCC(c2cc(C(F)(F)F)n3ncnc3n2)CC1 12188543 NIPFAWLMHYXKRI-UHFFFAOYSA-N 423.370 3.067 0 40 HGAB COc1ccc(-c2nc(NC(=O)CN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)sc2C)cc1 12542598 YJIOWSXMNHPLSQ-HZPDHXFCSA-N 411.483 3.017 0 40 HGAB CN1CCN(C(=O)/C=C/c2ccc(C(=O)NC3CC3)cc2)c2nc3ccccc3nc21 12945736 OANCRKPKEYREAQ-MDWZMJQESA-N 413.481 3.018 0 40 HGAB Cc1ccc2c(c1)c(=O)cc(C(F)(F)F)n2C[C@@H](C)NC(=O)c1cnc(C)cn1 13227552 CNQKSVOQARFLBG-CYBMUJFWSA-N 404.392 3.246 0 40 HGAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCCN(C)C)ccc2Cl)c(C)c1 13646502 MNASONPKALBTQG-UHFFFAOYSA-N 423.966 3.439 0 40 HGAB COc1cc(CN(C)C(=O)CCn2cnc3sccc3c2=O)ccc1OC(F)F 14055305 SEMNXYDPIOFXJT-UHFFFAOYSA-N 423.441 3.117 0 40 HGAB COc1cccc(NC(=O)[C@@H](C)n2nnc(-c3ccccc3Br)n2)c1 14123346 BQMXYJWPBRRBGF-LLVKDONJSA-N 402.252 3.311 0 40 HGAB COCCn1c(SCc2cc(=O)n3c(C)cccc3n2)nnc1-c1ccccc1 14247185 YCZCWUKDKNFZEX-UHFFFAOYSA-N 407.499 3.200 0 40 HGAB O=C(CCCCCNC1=NS(=O)(=O)c2ccccc21)OC[C@H]1CC1(Cl)Cl 15355375 YKMQIGGDMHRTMM-GFCCVEGCSA-N 419.330 3.023 0 40 HGAB COc1ccc(C2=NO[C@]3(C(=O)Nc4ccccc43)[C@@H]2C(=O)c2ccco2)c(OC)c1 16021610 CYTJZHFCFDYJGP-CVDCTZTESA-N 418.405 3.378 0 40 HGAB CCOC(=O)[C@@H]1Cc2cc(OC)c(OC)cc2C(Cc2ccc(OC)c(OC)c2)=N1 16890216 QUFNPFJDSBKCJN-SFHVURJKSA-N 413.470 3.241 0 40 HGAB O=C([C@@H]1CN(C(=O)c2cc(Cl)cc(Cl)c2)c2ccccc2O1)N1CCOCC1 16964321 OXDPUJMAAOXVHX-SFHVURJKSA-N 421.280 3.260 0 40 HGAB CCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)CC(C)C)cc2Cl)CC1 17088737 SXDORLNLZDBNSM-UHFFFAOYSA-N 410.971 3.258 0 40 HGAB Cc1ccn(CCC(=O)NCCn2ncc(-c3ccccn3)c2-c2cccs2)n1 19238106 KBFSMJDCBSKWOM-UHFFFAOYSA-N 406.515 3.385 0 40 HGAB O=C(CCOc1ccc(Cl)cc1)N1CCO[C@@H](c2nc(-c3ccccn3)no2)C1 19403035 UIPBCIGAQOFNLW-QGZVFWFLSA-N 414.849 3.154 0 40 HGAB CC[C@@H]1C[C@H](C(F)(F)F)n2nc(C3CCN(C(=O)c4ccnn4C)CC3)cc2N1 19520827 WPSYKYCTYSJGBB-CZUORRHYSA-N 410.444 3.334 0 40 HGAB CCc1nc2ccccc2n1C[C@H](C)C(=O)N1CCC[C@H]1c1nnc(SC)n1C 19523272 DHQUPDFPYWISPW-YOEHRIQHSA-N 412.563 3.449 0 40 HGAB CCN(C(=O)c1c[nH]nc1C1CCN(C(=O)c2ccccn2)CC1)c1ccccc1 19526682 ZXGHAIXKTGWCCF-UHFFFAOYSA-N 403.486 3.491 0 40 HGAB CCOc1ccc(CC(=O)N2CCC[C@H]2c2n[nH]cc2-c2ccnc(N(C)C)n2)cc1 19532883 MFHNNLJJDOFYPE-FQEVSTJZSA-N 420.517 3.238 0 40 HGAB Cc1ccc([C@]2(O)CCN(C(=O)Cc3cc(Cl)c4c(c3)OCCCO4)C2)cc1 19714429 XNOYGHJNFMJMFL-QFIPXVFZSA-N 401.890 3.472 0 40 HGAB COc1cccc([C@@H]2CCCN2C(=O)c2cc3nccc(-c4cnn(C)c4C)n3n2)c1 19719027 NOCWTSDLFUISFG-FQEVSTJZSA-N 416.485 3.424 0 40 HGAB CCCn1ncc2ccc([C@H]3CCCN(S(=O)(=O)c4c(C)noc4C)C3)nc21 19742494 IUBYPCLHZGKXAP-INIZCTEOSA-N 403.508 3.014 0 40 HGAB CCN(CC(=O)N[C@@H](C)c1ccccc1)S(=O)(=O)c1ccc(OC)c(Cl)c1 19930074 PRXOFPPFGKBEQQ-AWEZNQCLSA-N 410.923 3.237 0 40 HGAB CCSc1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C 20111475 IAFJAIUXHPKMNY-UHFFFAOYSA-N 420.556 3.380 0 40 HGAB CC(C)(C)c1ccc(OCCNC(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1 21904249 IPDYUAUCNDBCLA-RTBURBONSA-N 400.519 3.044 0 40 HGAB CN(c1ccc(OCC(=O)Nc2ccccc2C(F)(F)F)cc1)S(C)(=O)=O 22230582 YFIOBMUDIXAHOC-UHFFFAOYSA-N 402.394 3.119 0 40 HGAB CN(C)[C@@H](CNC(=O)COc1ccc(Br)cc1Cl)c1ccco1 22381211 DPYSAHWOPBVONT-ZDUSSCGKSA-N 401.688 3.493 0 40 HGAB Cc1ccccc1NC(=O)C(=O)NC[C@H](c1ccco1)N1CCc2ccccc2C1 22907488 CAIRARGITDKZJT-OAQYLSRUSA-N 403.482 3.442 0 40 HGAB COc1ccc(CN(C)CC(=O)NC23CC4CC(CC(C4)C2)C3)c(OC)c1OC 23815098 GYXYTXXWDNYSFO-UHFFFAOYSA-N 402.535 3.229 0 40 HGAB CN(Cc1ccccc1N1CCOCC1)C(=O)c1ccc(OC[C@H]2CCCO2)cc1 24191322 NOTNTPCVXOFCNU-JOCHJYFZSA-N 410.514 3.353 0 40 HGAB COc1cc(C(=O)OCC(=O)NC(=O)c2ccco2)cc(Cl)c1OCC(C)C 24912667 TXNOXIWDGUAKGJ-UHFFFAOYSA-N 409.822 3.090 0 40 HGAB COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)c1cccc(Br)c1 25185454 TVISLGDKPRRXCN-UHFFFAOYSA-N 419.275 3.325 0 40 HGAB O=C(NCc1ccccc1CN1CCOCC1)c1cccc(OC[C@@H]2CCCO2)c1 26346534 KSMUYNUFPXGUNR-QHCPKHFHSA-N 410.514 3.007 0 40 HGAB CC1=C[C@@H](CNS(C)(=O)=O)[C@H](C(C)C)C[C@H]1CC(=O)NCc1ccc(F)cc1 30880395 ZDAHFKRHZKUDHQ-BJLQDIEVSA-N 410.555 3.236 0 40 HGAB biogenic,in-vitro CSc1cccc(N2C[C@@H](C(=O)Nc3ccc4c(c3)NC(=O)[C@H](C)O4)CC2=O)c1 32772885 DUWMJWXDKFIEQM-STQMWFEESA-N 411.483 3.120 0 40 HGAB O=S(=O)(c1cc(C(F)(F)F)ccc1Cl)N1CCN(c2ccccn2)CC1 34858778 YXXPLTSNQUWYLI-UHFFFAOYSA-N 405.829 3.265 0 40 HGAB O=C(Cc1ccc(OC(F)F)cc1)N(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 39978475 LUOPWNLTSOCINE-QGZVFWFLSA-N 409.454 3.046 0 40 HGAB O=C(NC[C@@H](O)COc1ccccc1)Nc1cc(C(F)(F)F)ccc1-n1cccn1 40104232 WEXOMDJPTAALQY-OAHLLOKOSA-N 420.391 3.453 0 40 HGAB CC(C)NC(=O)c1cccc(NC(=O)[C@H]2CCCN(c3ccc(Cl)nn3)C2)c1 40133691 KSFCWEHQZIEPDJ-HNNXBMFYSA-N 401.898 3.123 0 40 HGAB Cc1ncc(CN2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)s1 40158343 GKSUNTOXFLMDIV-UHFFFAOYSA-N 406.360 3.265 0 40 HGAB C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)N[C@H]3CCC[C@H](C)[C@H]3C)c2)C[C@@H](C)O1 40161042 VQDDBDIDHFCTEY-WNSDDWSPSA-N 408.564 3.039 0 40 HGAB Cc1cccc(NC(=O)COc2cc(C)nc(N3CCN(c4ccccc4)CC3)n2)c1 44170257 XJPSDTGXHFZMKY-UHFFFAOYSA-N 417.513 3.438 0 40 HGAB O=S(=O)(Cc1cc(Cl)c2c(c1)OCCO2)Cc1nc(-c2ccccc2)no1 45297468 LVKZZDXUPUJRCI-UHFFFAOYSA-N 406.847 3.276 0 40 HGAB Cc1cccc([C@@H](CNS(=O)(=O)c2cccc(Cl)c2C)N2CCOCC2)c1 48302540 HTAUEXUGEMRQLU-LJQANCHMSA-N 408.951 3.309 0 40 HGAB Cc1cccc(NC(=O)Cn2cnc3c(cnn3-c3cc(Cl)ccc3C)c2=O)c1 57428284 IAQSXVGKWJMWLX-UHFFFAOYSA-N 407.861 3.491 0 40 HGAB CCOC(=O)c1sc(NC(=O)N2CC[C@@H](N3CCCC3)C2)c(C(=O)OCC)c1C 58306291 SMLISAYXGPEEEB-CQSZACIVSA-N 423.535 3.112 0 40 HGAB CCNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl 59942123 KPDWCADVHCTCAL-UHFFFAOYSA-N 401.315 3.320 0 40 HGAB Cc1ccoc1C(=O)NC1CCN(S(=O)(=O)c2c(C)c(C)cc(C)c2C)CC1 60321716 MHDWGCBBZZPIKE-UHFFFAOYSA-N 404.532 3.405 0 40 HGAB COc1cc(F)ccc1-c1ccc(=O)n(CC(=O)Nc2nc3c(s2)CCCC3)n1 61718484 KJIXOCVTOZYHJC-UHFFFAOYSA-N 414.462 3.032 0 40 HGAB O=C(NCc1ccc(F)cc1F)c1cn(-c2ccc(-c3nc(C4CC4)no3)cn2)cn1 71768277 OHEBWDRNEYJSQD-UHFFFAOYSA-N 422.395 3.403 0 40 HGAB O=C(CCOc1ccccc1)N1CCC[C@@H](C(=O)N2CCC[C@H]2c2ccncc2)C1 71820838 UNNQQXGVGPWLLG-IRLDBZIGSA-N 407.514 3.453 0 40 HGAB CCN1CC[C@]2(CCC1=O)C[C@H](NC(=O)c1ccc3c(c1)OCO3)c1ccccc1O2 72327824 XYOIRJWLDNAAJH-MHECFPHRSA-N 422.481 3.440 0 40 HGAB CCOC(=O)[C@H]1Oc2c(c(=O)oc3ccccc23)[C@H]1c1cc(OC)c2c(c1)OCCO2 79192908 BZOJOKWSOPEFOE-UTKZUKDTSA-N 424.405 3.029 0 40 HGAB biogenic CCOc1ccc(C(F)(F)F)cc1NC(=O)N1CCN(C[C@@H](C)O)[C@H](CC)C1 89949207 KXPVXTLLUPVLAV-UKRRQHHQSA-N 403.445 3.413 0 40 HGAB Cc1ccc(N2CCN(CC3CC3)C3(CCN(Cc4cccc(C)n4)CC3)C2=O)cn1 96230382 QCJLBZYQKYAJJX-UHFFFAOYSA-N 419.573 3.187 0 40 HGAB COc1ccc(-n2ccc(-c3cc(C(=O)N4CCN(C)CC4)c4ccccn34)n2)cc1 96266728 BBQSAAVYOLVVNG-UHFFFAOYSA-N 415.497 3.188 0 40 HGAB CCN(CC)S(=O)(=O)c1cccc(C2=N/C(=C/c3ccc(F)c(F)c3)C(=O)O2)c1 96988919 HKZJJAYCVMMUSM-WOJGMQOQSA-N 420.437 3.340 0 40 HGAB C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1NC[C@H](O)COCc1ccccc1F 97141090 PFUQRTJZTMYNFS-KNKQGSTJSA-N 400.538 3.449 0 40 HGAB Cc1ccc(C(=O)C2=NO[C@H]3C(=O)N(c4cc(Cl)ccc4Cl)C(=O)[C@@H]23)cc1 100354728 KVWVIBCSXXTJSX-WMLDXEAASA-N 403.221 3.429 0 40 HGAB CCCc1cc(=O)oc2cc(OCC(=O)NC[C@H]3CC[C@H](C(=O)O)CC3)ccc12 100763668 HVHOUBUTSQGNJT-GASCZTMLSA-N 401.459 3.132 0 40 HGAB C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)N[C@@H](C)[C@@H]3C[C@@H]4CC[C@@H]3C4)c2)C[C@H](C)O1 103012847 ZUYSEEWWDITFOL-FKAVEWNRSA-N 420.575 3.039 0 40 HGAB COC[C@]1(CN)[C@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 218228918 FZKUGDLVSLHEID-CEXWTWQISA-N 424.360 3.289 0 40 HGAB COc1ccccc1CCCNC(=O)c1cc(N(C)S(C)(=O)=O)ccc1Cl 222500388 NEYWSOTZHODATR-UHFFFAOYSA-N 410.923 3.107 0 40 HGAB Cc1ccccc1OC[C@@H](C)NC(=O)c1ccc(C)c(N2CCCCS2(=O)=O)c1 222576291 JTHAPSGCNKODGK-GOSISDBHSA-N 416.543 3.431 0 40 HGAB CNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN1C(=O)c2cccc3cccc1c23 222896897 WWLJNOFUCQWNOO-KRWDZBQOSA-N 415.493 3.006 0 40 HGAB O=C(c1ccc(Cl)s1)N1CCN(c2nccn3nc4c(c23)CCCC4)CC1 225743420 UQJUBNRKLWCYBS-UHFFFAOYSA-N 401.923 3.285 0 40 HGAB FC(F)(F)c1cc(N2CCOCC2)nc(NC(=S)NC2CCCCCC2)n1 226011084 FIGATBHMXWWCBC-UHFFFAOYSA-N 403.474 3.341 0 40 HGAB COCc1nc2ccccc2n1CC(=O)N1CCC[C@@H]1c1cccc(-n2ccnc2)n1 257238542 HLMMOTUFUAQWSG-LJQANCHMSA-N 416.485 3.127 0 40 HGAB Cc1ccc(Oc2ccccc2O[C@@H]2CCC[C@@H](NC(=O)CCC(=O)O)[C@H]2O)cc1 257263394 LPSRVYHYEPEPKU-HCLVMJGWSA-N 413.470 3.429 0 40 HGAB CO[C@H]1CCN(CC(=O)Nc2nc(-c3ccc(F)cc3)cs2)C[C@@]12CCCO2 257304164 SKHLZCNADBQGMP-PXNSSMCTSA-N 405.495 3.158 0 40 HGAB COc1ccc(-c2cccc([C@H]3CN(C(=O)CCn4nccc4C)CCO3)n2)cc1 257318747 VPFCEOZHYCUZGJ-JOCHJYFZSA-N 406.486 3.252 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)Nc2cccc(SC)c2)cc1 408620379 JJGHQTYLMUCYBS-UHFFFAOYSA-N 408.545 3.457 0 40 HGAB CCOCCCNC(=O)COc1ccc(S(=O)(=O)Nc2cc(C)cc(C)c2)cc1 409377740 JNJFNBCNENTFIY-UHFFFAOYSA-N 420.531 3.026 0 40 HGAB COc1ccc([C@H]2CCCN2C(=O)CCc2c(C)nc3ncnn3c2C)cc1OC 512875678 GZITUFDTOFTHFS-GOSISDBHSA-N 409.490 3.055 0 40 HGAB CC[C@@](NC(=O)COc1ccc2ccccc2c1Br)(C(N)=O)C(C)C 541939480 QCMIJWPLVUVXEL-IBGZPJMESA-N 407.308 3.387 0 40 HGAB Cc1cccc(-c2n[nH]cc2C(=O)N2CCN(c3cc(C(F)(F)F)ncn3)CC2)c1 575613715 KLDHLLRJUYXVLI-UHFFFAOYSA-N 416.407 3.156 0 40 HGAB Cc1c(C(=O)N2Cc3ccnn3[C@@H](CC(=O)N3CCCCO3)C2)oc2ccccc12 585095900 TYLLIJRBEGOLKO-KRWDZBQOSA-N 408.458 3.079 0 40 HGAB CCCN1CCN(C(=O)CCN)C[C@@H](Cc2ccccc2-c2ccc(C)cc2)C1=O 585183568 BSDUFNBXPYCDSL-JOCHJYFZSA-N 407.558 3.250 0 40 HGAB CCCN1CCN(C(=O)CCC(=O)O)C[C@@H](Cc2ccccc2-c2ccccc2)C1=O 585183594 IEFSKORMYMUKLQ-OAQYLSRUSA-N 422.525 3.458 0 40 HGAB CC(C)CCOc1cccc(NC(=O)N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)c1 620287920 GFHZEKRYCZCEQD-JOCHJYFZSA-N 424.545 3.488 0 40 HGAB Cc1cc2c(cc1Br)CN(C(=O)c1cc(S(C)(=O)=O)oc1C)CC2 1538585791 HCTWIBQZJZFPEB-UHFFFAOYSA-N 412.305 3.261 0 40 HGAB CC(C)N1C(=O)c2ccccc2[C@H](C(=O)N(C)C)C12CCN(Cc1cccn1C)CC2 1549168433 WJGXTCNPLZOSOU-JOCHJYFZSA-N 422.573 3.096 0 40 HGAB O=C(N[C@@H]1CCCN(c2ccccc2Cl)C1=O)[C@H]1CCO[C@@H](c2ccccc2)O1 1634293007 NASQEXKVMMHPIP-SFGWALBWSA-N 414.889 3.456 0 40 HGAB COc1ccccc1-c1nnc(C2CCN(c3ncnc4c3cnn4C)CC2)s1 1888930494 ZMEJXSFFSCFSGI-UHFFFAOYSA-N 407.503 3.274 0 40 HGAB COc1cc(OC)c([C@@H]2SCCN2S(=O)(=O)c2ccc(C)cc2)cc1OC 855083 OCQHWMNQQWGBHO-IBGZPJMESA-N 409.529 3.457 0 40 HGAB CC1=C(C(N)=O)[C@H](c2ccccc2Cl)N2NC(c3ccccc3Cl)=NC2=N1 940690 TXIHKWCFFGWIIK-INIZCTEOSA-N 400.269 3.430 0 40 HGAB O=S(=O)(c1ccc(Cl)c(F)c1)N1CCC(c2nc(-c3ccncc3)no2)CC1 1359352 OJAGYGDJWIWKIT-UHFFFAOYSA-N 422.869 3.492 0 40 HGAB CCOc1ccccc1-n1c(SCC(=O)N2CCCC2)nnc1-c1ccccn1 1362455 KBFNMSZPPPULFY-UHFFFAOYSA-N 409.515 3.443 0 40 HGAB COc1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@H]2c2ccc(OC)cc2OC)cc1 2441623 YRBGPSDICPLVAI-FQEVSTJZSA-N 421.457 3.232 0 40 HGAB CCc1ccc(NC(=O)COC(=O)[C@H](CC(C)C)N2C(=O)c3ccccc3C2=O)cc1 2606496 JJKCVUKIDFABKL-FQEVSTJZSA-N 422.481 3.442 0 40 HGAB CCOC(=O)c1c(NC(=O)COc2ncnc3ccccc23)sc(C(C)=O)c1C 2624137 ZTPWNSMHBFBEPG-UHFFFAOYSA-N 413.455 3.397 0 40 HGAB COC(=O)c1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nncs2)cc1 3655701 RPBAJDSGONSMDP-INIZCTEOSA-N 419.418 3.181 0 40 HGAB O=C(Nc1cccc2ccccc12)O[C@@H]1CO[C@@H]2[C@@H](NC(=O)c3ccccc3)CO[C@H]12 4235385 MYSDBTMEOWBADW-DXBBTUNJSA-N 418.449 3.353 0 40 HGAB biogenic,in-vitro Cc1cn2c3c(=O)n(CCc4ccccc4)c(=O)n(C)c3nc2n1C1CCCCC1 4250699 LZDKJPNOZFTRAV-UHFFFAOYSA-N 405.502 3.206 0 40 HGAB CC(=O)N1CCc2c(sc(NC(=O)c3cc(Cl)cc(Cl)c3)c2C(N)=O)C1 4275148 ZPRIOFQEZMYSTR-UHFFFAOYSA-N 412.298 3.311 0 40 HGAB CCc1ccc(NC(=O)Cn2cnc3c(cnn3-c3ccc(C)cc3C)c2=O)cc1 4479262 ZDJNLWPVDPYNJG-UHFFFAOYSA-N 401.470 3.400 0 40 HGAB CCOc1ccc(-n2ccnc(SCC(=O)NCc3ccc(C)cc3)c2=O)cc1 4853234 KQQWXSFAWIHPTJ-UHFFFAOYSA-N 409.511 3.348 0 40 HGAB Cc1c(Cc2ccccc2)c(=O)oc2cc(OCC(=O)NCCCN(C)C)ccc12 5346101 GHKHLINWOQINIM-UHFFFAOYSA-N 408.498 3.139 0 40 HGAB CC(C)c1ccc(NC(=O)CN2C(=O)N[C@H](Cc3c[nH]c4ccccc34)C2=O)cc1 6050041 VBLHJFGYZZMMHP-HXUWFJFHSA-N 404.470 3.393 0 40 HGAB COc1ccc(Cl)cc1NC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1 6153133 CCMWXZOKPOPXPC-UHFFFAOYSA-N 414.936 3.450 0 40 HGAB CCn1c(CC(=O)Nc2ccccc2)nnc1SCC(=O)N[C@H]1CCCC[C@@H]1C 6356562 UQHVRDJVTRQKEB-RDJZCZTQSA-N 415.563 3.266 0 40 HGAB CCOC(=O)C1=C(C)N(C)[C@]2(SC(C(C)=O)=NN2c2ccc(OC)cc2)S1 6810027 PGBNBHDXPGBPNR-GOSISDBHSA-N 407.517 3.235 0 40 HGAB CNC(=O)[C@H]1CN(CC(=O)N(c2ccccc2)C2CCCCC2)c2ccccc2O1 7254803 MSEWZEHOBBEXJP-JOCHJYFZSA-N 407.514 3.366 0 40 HGAB Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1/C=C/C(=O)Nc1ccc2c(c1)CCC2 7960298 ZALJOTQOXZPSCH-OZSKJFCKSA-N 419.934 3.345 0 40 HGAB Cc1cc(C)cc(N2C[C@@H](C(=O)OCC(=O)Nc3cccc(Cl)c3)CC2=O)c1 8037942 SUGFXSIHIXTSKY-HNNXBMFYSA-N 400.862 3.492 0 40 HGAB O=C(CSc1nnnn1C1CCCC1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 8323905 ZXGIPVCORHCYLD-INIZCTEOSA-N 415.519 3.015 0 40 HGAB CN(CC(=O)OCc1nc2ccccc2s1)S(=O)(=O)c1ccc(Cl)cc1 8630709 JPUVDULBDRIYTA-UHFFFAOYSA-N 410.904 3.314 0 40 HGAB Cc1c(Cl)cccc1NC(=O)COc1ccc(N2C[C@@H](C(=O)O)CC2=O)cc1 8732525 OSIQBIOEDSTGEQ-ZDUSSCGKSA-N 402.834 3.103 0 40 HGAB CC(=O)c1cccc(NC(=O)Cn2ccn3nc(-c4ccc(C)cc4)cc3c2=O)c1 9321137 YZBQOBVXEFLCQT-UHFFFAOYSA-N 400.438 3.313 0 40 HGAB O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)N(Cc1ccco1)C1=CCCCC1 9386402 RSJLHQYSBYHSFD-XMMPIXPASA-N 419.481 3.460 0 40 HGAB O=C(Nc1cccc(OCc2cc(=O)n3nc(C4CC4)sc3n2)c1)c1ccco1 9858764 UOGLVHOCJVXJIN-UHFFFAOYSA-N 408.439 3.453 0 40 HGAB Cc1ccc(CNC(=O)c2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)n1C 9884600 RRHNEBISQKCTQX-UHFFFAOYSA-N 423.538 3.405 0 40 HGAB Cc1cn2c3c(=O)n(Cc4ccc(Cl)cc4Cl)c(=O)n(C)c3nc2n1C(C)C 10101485 RCNIEKKIBXVDIT-UHFFFAOYSA-N 420.300 3.394 0 40 HGAB Cc1cc(N(CC(=O)N(C)c2ccccc2)S(C)(=O)=O)ccc1Br 10286364 OEDQJGDRNXLDEX-UHFFFAOYSA-N 411.321 3.187 0 40 HGAB Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)Nc3nc(C)cs3)CC2)c(C)c1 10554002 PPPMVKIAIIFSIU-UHFFFAOYSA-N 407.561 3.416 0 40 HGAB O=C(CSc1ncnc2c1nnn2Cc1ccccc1)NCc1ccccc1Cl 11758452 ZLFWFDGGYQOLAF-UHFFFAOYSA-N 424.917 3.332 0 40 HGAB O=C(Nc1cc(F)cc(F)c1)c1cc(S(=O)(=O)N2CCCCCC2)ccc1O 12422093 NBGGVQAQYPBCID-UHFFFAOYSA-N 410.442 3.487 0 40 HGAB O=C(c1cccc(NS(=O)(=O)c2ccc(Br)cc2)c1)N1CCCC1 12521146 PYYJMHBPGIISDR-UHFFFAOYSA-N 409.305 3.486 0 40 HGAB CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCCc3ncccc32)ccc1Cl 12539460 PWABALJUTZZHML-UHFFFAOYSA-N 407.923 3.359 0 40 HGAB O=C(NCc1ccc(OC(F)(F)F)cc1)N1CCN(C(=O)c2ccccc2)CC1 12781059 LUVIEDNJXJJUBS-UHFFFAOYSA-N 407.392 3.253 0 40 HGAB O=C(CN1C(=O)C(=O)N(C23CC4CC(CC(C4)C2)C3)C1=O)c1ccc2c(c1)CCC2 12800293 NWKBRBHUXLDCEA-UHFFFAOYSA-N 406.482 3.118 0 40 HGAB FC(F)(F)c1cccc(-c2noc(CCCN3CCN(c4ncccn4)CC3)n2)c1 12846273 LTICQLKHOBCWTJ-UHFFFAOYSA-N 418.423 3.300 0 40 HGAB COc1ccc(NC(=O)c2ccccc2S(=O)(=O)N2CCCCC2)c(OC)c1 12885543 SBZGVAUPMOCBRZ-UHFFFAOYSA-N 404.488 3.131 0 40 HGAB O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1C[C@@H](O)COCc1cccs1 12917027 KRABEVXHVPEEAQ-LJQANCHMSA-N 422.506 3.121 0 40 HGAB CS(=O)(=O)N(CCCC(=O)Nc1ccc2c(c1)OCCO2)c1cccc(Cl)c1 13847470 BGVYCYMGWDFTQS-UHFFFAOYSA-N 424.906 3.296 0 40 HGAB Cc1nc(C(=O)Nc2cccc(Cl)c2N2CCOCC2)nn1-c1ccc(F)cc1 14126924 FFWYSUQPMRJWAT-UHFFFAOYSA-N 415.856 3.457 0 40 HGAB O=S(=O)(c1ccc(-c2csc(Cc3ccccc3)n2)cc1)N1CCOCC1 14199976 KZWYQPQUZJPRAW-UHFFFAOYSA-N 400.525 3.422 0 40 HGAB CCCN(C(=O)/C=C/c1ccc(C)cc1Br)[C@@H]1CCS(=O)(=O)C1 14245366 BUYNDYHLTCGARV-LQYUOIDQSA-N 400.338 3.196 0 40 HGAB COc1cc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)ccc1OC(C)C 16349660 SKCHXKBOMVRMBA-WOJGMQOQSA-N 423.469 3.322 0 40 HGAB COc1ccc(C(C)=O)cc1CS(=O)(=O)CC(=O)N[C@@H]1CCCc2ccccc21 16685311 CVFJCSUMDYGHFB-HXUWFJFHSA-N 415.511 3.006 0 40 HGAB OCCN[C@H]1c2cc(-c3ccc(F)cc3)cnc2Sc2nc(-c3ccncc3)nn21 19336740 OJRUSYDMRJWPJN-LJQANCHMSA-N 420.473 3.135 0 40 HGAB Cc1c(C)n(C)c2ccc(C(=O)N3CCO[C@H](c4nc(-c5cccnc5)no4)C3)cc12 19554616 SMENOKJNRCMYNS-FQEVSTJZSA-N 417.469 3.454 0 40 HGAB COc1ccc(S(=O)(=O)N2Cc3ccc(OC)cc3C[C@@H]2C2CCOCC2)cc1 19557152 MUZZVPMROAIECE-JOCHJYFZSA-N 417.527 3.246 0 40 HGAB COc1ccc([C@H]2CN(S(C)(=O)=O)[C@@H]3CCN(Cc4ccc(F)cc4)C[C@H]23)cc1 19557709 GNSJZKQTGXJSNM-YPAWHYETSA-N 418.534 3.084 0 40 HGAB CCOc1ccccc1CNC(=O)[C@@H](CC)N(c1ccc(F)cc1)S(C)(=O)=O 20050434 STTJXENKXUAXLI-GOSISDBHSA-N 408.495 3.085 0 40 HGAB COc1ccc([C@H](CC(C)C)NC(=O)CN(c2ccccc2)S(C)(=O)=O)cc1 20454538 WUYHOGDXFZAYIJ-FQEVSTJZSA-N 404.532 3.365 0 40 HGAB COC(=O)Cc1c(C)c2ccc3c(c2oc1=O)CN(CCc1cccc(F)c1)CO3 20589919 UIUOYGBBTQEVLL-UHFFFAOYSA-N 411.429 3.351 0 40 HGAB Cc1ccc(OC(=O)CSc2nc(-c3ccccc3)nc3cc(=O)[nH]n23)c(C)c1 21885398 IGIZKKICCNETMY-UHFFFAOYSA-N 406.467 3.399 0 40 HGAB O[C@H](COc1ccc(Cl)cc1)CSc1nnc(NC[C@H]2CCCO2)s1 22093581 HNAAGCYTYYWKBM-TZMCWYRMSA-N 401.941 3.314 0 40 HGAB CCCOc1ccc(N(CC(=O)NCc2ccccc2Cl)S(C)(=O)=O)cc1 22391669 UPVAXTBOHJVUKQ-UHFFFAOYSA-N 410.923 3.211 0 40 HGAB O=S(=O)(c1ccc(NCc2ccccc2CN2CCCC2)nc1)N1CCCCC1 23818443 KNSWYCJSDYJVQP-UHFFFAOYSA-N 414.575 3.464 0 40 HGAB Cc1sc2nc(-c3cccs3)nc(NC[C@@H](O)CN3CCOCC3)c2c1C 23935273 PNKRBLFNRIVBLA-CQSZACIVSA-N 404.561 3.142 0 40 HGAB Cc1cccc(CS(=O)(=O)N2CCC(C(=O)N[C@@H](C)c3ccccc3)CC2)c1 24611836 TUTFHNAYJJGYLU-SFHVURJKSA-N 400.544 3.414 0 40 HGAB CSc1nc2nc(C)c(CC(=O)N(CC(F)(F)F)[C@@H](C)C3CC3)c(C)n2n1 24757918 FRXLHUUACNVCAB-JTQLQIEISA-N 401.458 3.195 0 40 HGAB COc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccccc2)cc1OC1CCCC1 24930784 HXGLCOBMOFTONZ-UHFFFAOYSA-N 418.515 3.276 0 40 HGAB CC(C)C(=O)N1CCC(C(=O)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)CC1 25652771 DFQLASGOIZGIJF-UHFFFAOYSA-N 415.515 3.414 0 40 HGAB COCc1c(C(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)oc2ccccc12 25883468 QNCXWYKXCULBEH-UHFFFAOYSA-N 400.456 3.272 0 40 HGAB CN(C)S(=O)(=O)c1ccccc1CNC(=O)Cc1ccc(Cl)c(Cl)c1 27123687 NBXIFLGGIMVVEE-UHFFFAOYSA-N 401.315 3.103 0 40 HGAB O=S(=O)(c1cccc(CSc2nccn2-c2ccccc2)c1)N1CCOCC1 27487493 QNNNRKPOBKGMCU-UHFFFAOYSA-N 415.540 3.186 0 40 HGAB Cc1nn(CCC(=O)N2CCN(c3ccccc3F)CC2)c(C)c1Br 27969274 BSCCYRZIRDYUJS-UHFFFAOYSA-N 409.303 3.140 0 40 HGAB CNC(=O)[C@@H]1CN(C(=O)c2ccc(COc3ccccc3)cc2)c2ccccc2O1 29767400 WZGPEEDLLREAKL-QFIPXVFZSA-N 402.450 3.419 0 40 HGAB COc1ccc(S[C@H](C)C(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)cc1 30851875 HYFJRMUVHIURIV-CQSZACIVSA-N 420.556 3.015 0 40 HGAB Cc1cc(C)cc(NC(=O)CN2CCC3(CC2)N=C(c2cccc(Cl)c2)C(=O)N3)c1 35430802 MPKHIFQVKJKGFD-UHFFFAOYSA-N 424.932 3.307 0 40 HGAB biogenic CCn1c(=O)c2sccc2n2c(CCC(=O)N[C@H](C)CCc3ccccc3)nnc12 35528450 NEFBDOHKWMFILI-OAHLLOKOSA-N 423.542 3.196 0 40 HGAB C[C@@H]1C[C@@H](C(N)=O)c2ccccc2N1C(=O)COc1ccc(Br)cc1F 40069793 XJRMDJTWHFMVQL-BXUZGUMPSA-N 421.266 3.361 0 40 HGAB COc1ccc(CNc2nc(C(=O)N3CCN(c4ccccn4)CC3)cs2)cc1 40286746 XXSAMKMGMICTNS-UHFFFAOYSA-N 409.515 3.121 0 40 HGAB CCc1ccc(-c2ccc(=O)n(CCC(=O)N3CCN(C4CCCCC4)CC3)n2)cc1 41252457 KSBNNBXTVZNLBZ-UHFFFAOYSA-N 422.573 3.340 0 40 HGAB O=C(CNS(=O)(=O)c1ccc(Cl)cc1)Nc1ccccc1Br 46469857 HZTXSZHMBQISBC-UHFFFAOYSA-N 403.685 3.020 0 40 HGAB CC1(C)C(=O)Nc2ccccc2N1C(=O)CN1CCN(c2cccc(Cl)c2)CC1 57440608 OIIXWRYHMIAGFJ-UHFFFAOYSA-N 412.921 3.226 0 40 HGAB Cc1c(Br)c2ccccc2n1CC(=O)NCCC(=O)Nc1ccncc1 69508007 NJCKSOHERHKTEY-UHFFFAOYSA-N 415.291 3.252 0 40 HGAB C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)CCCn2nnc(-c3ccccc3)n2)C1 69929035 QFUNEIXGZALZOI-RXVVDRJESA-N 404.518 3.072 0 40 HGAB O=C(c1ccc(NS(=O)(=O)c2cccs2)cc1)N1CCC(N2CCCC2)CC1 71186300 TZHITJZGAUBYTO-UHFFFAOYSA-N 419.572 3.249 0 40 HGAB Cc1cccc(NC(=O)CN2N=C(c3nc(-c4ccccc4)no3)CCC2=O)c1C 71328268 HFNWCZNKBGETAM-UHFFFAOYSA-N 403.442 3.319 0 40 HGAB CCCc1noc(-c2ccnc(-n3cnc(C(=O)NCCc4cccs4)c3)c2)n1 71768470 LGGVNBLQFCQBRU-UHFFFAOYSA-N 408.487 3.304 0 40 HGAB C[C@@H](c1cccnc1)N(C)C(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 72045626 DQXGAGQFPMUGRL-KRWDZBQOSA-N 409.511 3.393 0 40 HGAB COc1ccc(C(=O)Nc2nc3c(s2)[C@H]2CC[C@@H](C3)N2C)cc1Cn1cccn1 72325658 JEHAJGSASCOYFP-DOTOQJQBSA-N 409.515 3.340 0 40 HGAB C[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1ccc(-c2nc(C3CC3)n[nH]2)cc1 79014304 BXCURKLKNDXLIZ-AWEZNQCLSA-N 411.506 3.431 0 40 HGAB CCOC(=O)[C@@H]1Oc2c(c(=O)oc3ccccc23)[C@@H]1c1cc2ccccc2[nH]c1=O 79190167 TZGXCSXIGQOZOY-FXAWDEMLSA-N 403.390 3.091 0 40 HGAB biogenic CN(C)c1cc(C(F)(F)F)nc(NCC2(c3ccc4c(c3)OCO4)CCOCC2)n1 83854233 VJBXFNXUJUSZSO-UHFFFAOYSA-N 424.423 3.450 0 40 HGAB CCS(=O)(=O)c1ccc(Cl)cc1NC(=O)c1ccc(Cn2cncn2)cc1 89274609 CIJSSNDDJVAAHG-UHFFFAOYSA-N 404.879 3.026 0 40 HGAB O=C(O)[C@H]1Cc2ccccc2CN1C(=O)c1ccc2c(c1)[nH]c(=O)n2C1CCCC1 95969921 MVBPDKUCNKECAJ-HXUWFJFHSA-N 405.454 3.096 0 40 HGAB CN(C)CCNC(=O)C[C@H]1CC2(CCN(Cc3ccccn3)CC2)c2ccccc21 96052878 SKFPGIDPFKKYHM-FQEVSTJZSA-N 406.574 3.171 0 40 HGAB COc1ccc([C@H](C)N2C[C@]34C=C[C@@H](O3)[C@H](C(=O)OCc3ccccc3)[C@@H]4C2=O)cc1 102157364 IWQFKCBKKFOHQE-OZCPBBFRSA-N 419.477 3.282 0 40 HGAB CC(C)c1cnn2c(NCc3ccccc3N(C)C)nc(OC3CCN(C)CC3)nc12 206127979 JYPAWUMVEPMZMD-UHFFFAOYSA-N 423.565 3.399 0 40 HGAB CC[C@H](C(=O)N[C@@H](C)CCc1ccccc1)N(c1ccc(OC)cc1)S(C)(=O)=O 220650466 PCAHSXNSWBKPPS-LAUBAEHRSA-N 418.559 3.377 0 40 HGAB Cc1cc(C)cc(N(CCCC(=O)Nc2ccc3c(c2)OCCO3)S(C)(=O)=O)c1 222569449 IMYIMCKDUSHJMU-UHFFFAOYSA-N 418.515 3.260 0 40 HGAB COc1ccc(S(=O)(=O)N(C)Cc2cc(OC)c(OC)c(OC)c2)cc1Cl 222978981 KPLCTLRZSNDDKU-UHFFFAOYSA-N 415.895 3.195 0 40 HGAB CC[C@@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CCc1ccc2c(c1)OCCO2 223235906 YCVROKFWNBONFS-IBGZPJMESA-N 414.477 3.083 0 40 HGAB CCOc1ccc(CNS(=O)(=O)c2cc(C(=O)OC)ccc2C)cc1OCC 223864396 FUZUQXBAQQYSLO-UHFFFAOYSA-N 407.488 3.058 0 40 HGAB O=C(NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccccc1Cl 224352601 COLWNVMCSVYXMG-UHFFFAOYSA-N 422.934 3.323 0 40 HGAB COc1ccccc1N1CCN(C(=O)CCc2nc(-c3ccccc3C)no2)CC1 225816533 FJQDPOFELCBPDP-UHFFFAOYSA-N 406.486 3.335 0 40 HGAB C[C@@H]1CCCN(c2cc(C(F)(F)F)nc(NC(=S)NC[C@@H]3CCCO3)n2)C1 225910022 YPUAQZIYIREOCA-NEPJUHHUSA-N 403.474 3.197 0 40 HGAB CC(C)Oc1ccc(NC(=O)C(C)(C)NS(=O)(=O)Cc2ccccc2F)cc1 225922453 KLPLTJTWLWRKIL-UHFFFAOYSA-N 408.495 3.450 0 40 HGAB COC(=O)CNC(=O)C1(Cc2cccc(-c3ccc(F)c(F)c3)c2)CCOCC1 257197589 DKSWOSGLYNEBLV-UHFFFAOYSA-N 403.425 3.260 0 40 HGAB CCc1cc(CNC(=O)[C@]2(C)CCCN(C(=O)c3ccc4c(c3)ncn4CC)C2)on1 257251249 JPZRQSFLONUGGD-HSZRJFAPSA-N 423.517 3.165 0 40 HGAB Cc1cc(Nc2ccc(F)cc2)cc([C@@H]2CCN(S(=O)(=O)N3CCCC3)C2)n1 257291333 QGNCKFLGCJYBCZ-MRXNPFEDSA-N 404.511 3.403 0 40 HGAB COc1ccccc1CC(=O)N1CCC[C@H](c2cc(-c3nccn3C)nc(C)n2)C1 257337728 YUCZEKJAYLMNGG-SFHVURJKSA-N 405.502 3.143 0 40 HGAB CCOc1ccc(N([C@H](C)C(=O)NC(C)(C)Cc2ccccc2)S(C)(=O)=O)cc1 260843202 PCQXVLNWCGVRGX-QGZVFWFLSA-N 418.559 3.377 0 40 HGAB CS(=O)(=O)c1ccc(CCC(=O)NC[C@H](O)c2ccc(-c3ccsc3)o2)cc1 390831423 RTSYDWFDBZQQIQ-KRWDZBQOSA-N 419.524 3.194 0 40 HGAB COc1ccccc1N(CC(=O)Nc1c(Cl)cccc1Cl)S(C)(=O)=O 408582144 VPYJPKAYZIHDAX-UHFFFAOYSA-N 403.287 3.407 0 40 HGAB CC1=CC[C@@H]2C(=O)N(c3ccccc3C(=O)Nc3cccc(C(=O)O)c3)C(=O)[C@H]2C1 408686790 SXMPHKCHDHPZAQ-WMZOPIPTSA-N 404.422 3.483 0 40 HGAB O=C(NCCCc1ccccc1)C(=O)Nc1ccccc1C(=O)NCc1ccccc1 408707454 BHYARKRQDYERFE-UHFFFAOYSA-N 415.493 3.304 0 40 HGAB COc1ccc(-c2nnc(CN(C)C(=O)COc3cc(C)ccc3C)o2)cc1OC 408714213 LLMZURDHFMCTOC-UHFFFAOYSA-N 411.458 3.408 0 40 HGAB Cc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)N2CCOCC2)cc1C 409099910 RKTFESHEJREBAY-UHFFFAOYSA-N 422.554 3.426 0 40 HGAB CCNC(=O)COc1cc(C(F)(F)F)nc2ccc(I)cc12 563310481 HPXPEOWFVNCGDK-UHFFFAOYSA-N 424.160 3.373 0 40 HGAB COc1cc2c(cc1OC)[C@H](NC(=O)[C@@H](C(C)C)N1Cc3ccccc3C1=O)CC2 583652584 ZQQDRAMTPANWDV-DENIHFKCSA-N 408.498 3.488 0 40 HGAB CCc1nn2c(c1-c1ccccc1)NN=C(S(C)(=O)=O)[C@H]2c1ccc(OC)cc1 618256620 KBWWDTYRLGYGAP-LJQANCHMSA-N 410.499 3.494 0 40 HGAB O=S(=O)(c1cc(F)cc(F)c1)N1CCC(COc2cc(C3CC3)ncn2)CC1 952987061 PCQKKLHCMCJYJA-UHFFFAOYSA-N 409.458 3.112 0 40 HGAB COc1ccc(CNC(=O)COc2cc(C)cc3oc(=O)c4c(c23)CCC4)cc1OC 2147145 JBJFQZAQCWAFJQ-UHFFFAOYSA-N 423.465 3.303 0 40 HGAB biogenic Cc1cc(C(=O)CSc2nnc(N)s2)c(C)n1C[C@@H]1COc2ccccc2O1 2635122 NYRNQRFCXYNRIT-CYBMUJFWSA-N 416.528 3.354 0 40 HGAB COc1ccc(CCNS(=O)(=O)c2cc(C(=O)O)c(Cl)cc2Cl)cc1 2655734 GTIRTRWMHRGQSY-UHFFFAOYSA-N 404.271 3.221 0 40 HGAB O=C(CSc1ccc2nnc(-c3ccccc3)n2n1)Nc1ccc2c(c1)OCO2 4164146 KCXRDSFRKQFQNU-UHFFFAOYSA-N 405.439 3.251 0 40 HGAB O=C1CC2(CCN(C(=O)[C@H]3CC(=O)N(c4ccccc4)C3)CC2)Oc2ccccc21 4505641 DQJNKJQAWYIYHQ-KRWDZBQOSA-N 404.466 3.066 0 40 HGAB CCCc1ccc(C(=O)CCC(=O)O[C@H](C)C(=O)Nc2ccc(C(N)=O)cc2)cc1 4515598 YCBMTJJWCBOAQA-OAHLLOKOSA-N 410.470 3.271 0 40 HGAB CC(C)(C)NC(=O)[C@@H](c1cccnc1)N(Cc1ccccc1)C(=O)c1csnn1 4858789 ZNGFESMIQUXQAU-GOSISDBHSA-N 409.515 3.232 0 40 HGAB Cc1csc(NC(=O)CCC(=O)N(CC(=O)NC2CCCC2)c2ccccc2)n1 4875571 WKBCEVFQQSVRRQ-UHFFFAOYSA-N 414.531 3.262 0 40 HGAB COCCN(C(=O)COc1ccc(Cl)cc1)c1nnc(-c2cccnc2)s1 4881604 VRWVKENXTDXPQA-UHFFFAOYSA-N 404.879 3.312 0 40 HGAB aggregator CCn1c(Cc2ccc(OC)cc2)nnc1S[C@@H](C)C(=O)Nc1nnc(C)s1 4993402 NBZZXTLDZYTBTQ-NSHDSACASA-N 418.548 3.177 0 40 HGAB Nc1c(-c2nc(-c3ccccc3F)no2)nnn1-c1ccc(Br)cc1 5043298 LUWZFVHHVUYXAN-UHFFFAOYSA-N 401.199 3.468 0 40 HGAB CCOc1ccc(N(C(=O)[C@H](C)Oc2ccccc2)[C@@H]2C=CS(=O)(=O)C2)cc1 5070938 ZJDPFBYMXUWDTH-FUHWJXTLSA-N 401.484 3.197 0 40 HGAB CC[C@@]1(c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)CCC(=O)NC1=O 5260019 PIJIBHCYWSHPGD-IBGZPJMESA-N 406.891 3.225 0 40 HGAB O=C(Nc1cc(Cl)ccc1N1CCOCC1)C1=NN(c2ccccc2)C(=O)CC1 6672308 SWKUGQRBWYBYNT-UHFFFAOYSA-N 412.877 3.298 0 40 HGAB O=C(CN1CCc2sccc2[C@@H]1c1ccccc1)N1CCN(c2ccccn2)CC1 8327925 UZBCMBLGMORPQU-DEOSSOPVSA-N 418.566 3.439 0 40 HGAB COC(=O)c1c(C(=O)OC)c(-c2cc(Cl)cc(Cl)c2)n2c1C[S@@](=O)C2 8733555 RAUTWMKPSRWKOK-VWLOTQADSA-N 402.255 3.255 0 40 HGAB Cc1ccc(-c2nn(CC(=O)NCc3ccco3)c(=O)c3nc(C)sc23)c(C)c1 8955802 WZQWWMRGWCMQKK-UHFFFAOYSA-N 408.483 3.355 0 40 HGAB COc1ccc(CCSC2=N[C@@H]3CS(=O)(=O)C[C@@H]3N2c2ccc(F)cc2)cc1 9422031 RYUYHMMCIRKJEQ-MOPGFXCFSA-N 420.531 3.152 0 40 HGAB CC(C)(C)c1ccc(C(=O)NCCC(=O)N2CCN(c3ccc(O)cc3)CC2)cc1 9469231 JGLORXMQTJAHOH-UHFFFAOYSA-N 409.530 3.158 0 40 HGAB CC(C)(C)[C@@H]1CCc2sc(C(=O)NCc3ccc(S(N)(=O)=O)cc3)cc2C1 9613958 AHPQAJQHEHVGCQ-OAHLLOKOSA-N 406.573 3.477 0 40 HGAB O=C(Nc1nnc(Cc2ccc3c(c2)OCO3)o1)c1ccc(Br)cc1 9701763 QKVHRHKDOQHNMO-UHFFFAOYSA-N 402.204 3.404 0 40 HGAB CCn1cc(C(=O)c2ccccc2O)cc1-c1nc2cc(OC)c(OC)cc2c(=O)[nH]1 10024820 KICCZWKZDVYHEJ-UHFFFAOYSA-N 419.437 3.365 0 40 HGAB O=C(NCCCN1C(=O)NC2(CCCC2)C1=O)c1cc2c(s1)CCCCCC2 10424859 BAFOUUZZNFAZIZ-UHFFFAOYSA-N 403.548 3.392 0 40 HGAB COc1ccc(-c2ccc(=O)n(CCCC(=O)N3CCc4ccccc43)n2)cc1OC 11693346 JYWGPKJRNJIGAN-UHFFFAOYSA-N 419.481 3.297 0 40 HGAB COCCCN1C(=O)c2[nH]nc(-c3cc(C)ccc3O)c2[C@H]1c1ccc(O)c(OC)c1 11914921 DVXZZYWDLFJMJC-JOCHJYFZSA-N 423.469 3.387 0 40 HGAB Cc1cc(C)nc(SCC(=O)N2CCC(c3noc(-c4cccnc4)n3)CC2)n1 12187059 WJMHCGGNNQRKIO-UHFFFAOYSA-N 410.503 3.037 0 40 HGAB CCOc1ncccc1C(=O)N1CCC(c2nc(O)cc(-c3ccccn3)n2)CC1 12275462 AGKKLJFYGILUQV-UHFFFAOYSA-N 405.458 3.058 0 40 HGAB COc1ccccc1NS(=O)(=O)c1cc(C(=O)NCc2ccncc2)ccc1C 12521368 RGKPBFMOZOKSQN-UHFFFAOYSA-N 411.483 3.129 0 40 HGAB CSc1ncc(C(=O)Nc2cccc(S(C)(=O)=O)c2)n1-c1ccc(F)cc1 12535403 ZVMKKNVZODPFCI-UHFFFAOYSA-N 405.476 3.389 0 40 HGAB CCOc1ccc(OC[C@H](O)CSc2nncn2-c2ccccc2OC)cc1 12550731 XIOUJMGGRFIXJS-HNNXBMFYSA-N 401.488 3.207 0 40 HGAB CCCCn1c(SCc2cc3c(cc2Br)OCCO3)n[nH]c1=O 12870041 ZQZPRNKLSNTWMS-UHFFFAOYSA-N 400.298 3.198 0 40 HGAB COC[C@@H](C)NC(=O)CSc1nc2sc(C)c(C)c2c(=O)n1C1CCCC1 12893804 TWYOCJFVNLMHNU-LLVKDONJSA-N 409.577 3.433 0 40 HGAB C[C@H](NC(=O)Cc1csc(NC(=O)c2ccco2)n1)c1ccc2c(c1)OCCO2 12895960 CCCLSTDUTJVYHO-LBPRGKRZSA-N 413.455 3.180 0 40 HGAB CCN(CC)C(=O)c1ccc(NC(=O)c2ccc(=O)n(Cc3ccccc3)n2)cc1 12898126 HIPNUINXIHPUQP-UHFFFAOYSA-N 404.470 3.026 0 40 HGAB CC[C@H]1c2ccsc2CCN1S(=O)(=O)c1cc(C(=O)OC)cc(C(=O)OC)c1 12928390 ZVUSZXSIWIQIDJ-INIZCTEOSA-N 423.512 3.019 0 40 HGAB CSCC[C@H](NC(=O)c1ccco1)C(=O)OCC(=O)Nc1ccc(C)c(Cl)c1 13039786 QHZWBNJGGWOXMB-HNNXBMFYSA-N 424.906 3.275 0 40 HGAB Cc1ccc(/C=C/C(=O)OCC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)o1 13109419 MMXJXQJYFNKWIH-FMIVXFBMSA-N 417.483 3.202 0 40 HGAB COc1ccc(CCCNS(=O)(=O)c2ccc(OC)c(Br)c2)cc1 13632857 XSUBEFLLIYVUPG-UHFFFAOYSA-N 414.321 3.377 0 40 HGAB O=C(Nc1ccc2nc(N3CCOCC3)sc2c1)c1cc2ccccc2oc1=O 14236911 JOVPDLMPELZVHX-UHFFFAOYSA-N 407.451 3.492 0 40 HGAB CCOC(=O)c1c(C)[nH]c(C(=O)O[C@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)c1C 14241398 ODZMAPPGBMVJHT-KWJFTMPMSA-N 416.518 3.439 0 40 HGAB CCC(=O)N1CCN(c2ccccc2NC(=S)NC(=O)c2ccc(CC)cc2)CC1 17094081 SBJDCNZKVCEWPJ-UHFFFAOYSA-N 424.570 3.434 0 40 HGAB CCOc1ccccc1C(=O)N1CCC[C@H]1c1nc(-c2cccnc2OC)cc(=O)[nH]1 19520072 CDPAIWNJCIXGNJ-SFHVURJKSA-N 420.469 3.217 0 40 HGAB Cc1nc(N(C)C)ncc1C(=O)N[C@H](Cc1ccccc1)c1ccc2c(c1)OCCO2 19552753 NXSLFWQDTXLFMP-HXUWFJFHSA-N 418.497 3.336 0 40 HGAB COc1ccc(-n2ncc(C(=O)C3CCN(C(=O)c4ccccc4)CC3)c2N)cc1 19558853 UTHRKMQVPSLZQV-UHFFFAOYSA-N 404.470 3.198 0 40 HGAB CN(C)C(=O)[C@@]1(Cc2ccccc2-c2ccccc2)CCN(C(=O)[C@@H]2CCCO2)C1 19579884 BOPXUIINDMAGTK-WIOPSUGQSA-N 406.526 3.382 0 40 HGAB CN(C)c1nc2ccccc2cc1CN1C[C@@H](c2cccnc2)[C@@]2(CCCC(=O)N2)C1 19584083 AIIVRNPKQPRPAR-SQJMNOBHSA-N 415.541 3.334 0 40 HGAB CCN1CCC[C@@H]1CN(Cc1ccccc1F)C(=O)c1nc2ccccc2n(C)c1=O 19714966 FQHIMFYBOWTLNQ-GOSISDBHSA-N 422.504 3.199 0 40 HGAB O=C1c2oc3ccccc3c(=O)c2[C@@H](c2cccc(Cl)c2)N1CCN1CCOCC1 20307946 OJUKQQCKODMGEO-HXUWFJFHSA-N 424.884 3.324 0 40 HGAB CO[C@]1(C)NC(=S)N[C@@H](c2ccc(OC(F)F)cc2)[C@@H]1C(=O)Nc1ccccc1 20551641 PQZNVBQHTQSSSF-GUXCAODWSA-N 421.469 3.424 0 40 HGAB CCOC(=O)[C@H]1C(=O)N=C(N2CCc3ccccc3C2)N[C@@H]1c1ccc(SC)cc1 20636831 XFHNJKGNKCLCNB-WOJBJXKFSA-N 423.538 3.173 0 40 HGAB CCCCn1c(COC(=O)c2ccccc2Cl)nc2cc(S(N)(=O)=O)ccc21 20820928 GFUOHWUZCBNZLY-UHFFFAOYSA-N 421.906 3.494 0 40 HGAB COc1ccc(-n2cc(C(=O)OCC(=O)OC(C)(C)C)c3ccccc3c2=O)cc1 21359935 UASGPEIECATDCK-UHFFFAOYSA-N 409.438 3.498 0 40 HGAB Nn1c(COc2ccccc2F)nnc1SCC(=O)NC1CCCCCCC1 22008329 CRXLSAHDMVCPFE-UHFFFAOYSA-N 407.515 3.031 0 40 HGAB CCN(C(=O)[C@@H](C)N1CCN(CC(=O)Nc2ccc(C)cc2)CC1)C1CCCCC1 22914220 LZVZVBWTTIGDLX-HXUWFJFHSA-N 414.594 3.121 0 40 HGAB COCCN1CCN([C@@H](C(=O)Nc2ccc(OC)c(Cl)c2)c2ccccc2)CC1 22929756 VZWHDXKVNHHUBS-OAQYLSRUSA-N 417.937 3.292 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCN(Cc3nc4ccccc4s3)CC2)c(C)c1 24149150 FAFGSBDZBZKGNF-UHFFFAOYSA-N 401.557 3.420 0 40 HGAB C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)NCCC3=CCCCC3)c2)C[C@H](C)O1 24751118 NOKASNUKCXZVPP-IRXDYDNUSA-N 406.548 3.105 0 40 HGAB O[C@@H](CSc1nnnn1C[C@H]1CCCO1)Cn1c2ccccc2c2ccccc21 25063573 NCTBOYJUEYWCCH-HZPDHXFCSA-N 409.515 3.113 0 40 HGAB O=C(c1cc(S(=O)(=O)Nc2ccccc2N2CCCCC2)c[nH]1)N1CCCC1 26529299 DVHMYNQVOAMNTE-UHFFFAOYSA-N 402.520 3.042 0 40 HGAB Cc1ccc(S(=O)(=O)CCC(=O)O[C@@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)cc1 32636267 VGBOIYAFJLMOBL-CVEARBPZSA-N 421.490 3.107 0 40 HGAB COc1ccccc1N1C(=O)C[C@H](N(C)Cc2ccc(Br)cc2)C1=O 32771847 KQNXEKYREFQCNM-INIZCTEOSA-N 403.276 3.222 0 40 HGAB Cc1ccc(S(=O)(=O)Cc2nc(-c3ccc4c(c3)NC(=O)CO4)cs2)cc1 32909480 CVKUNWMYPXHOTL-UHFFFAOYSA-N 400.481 3.423 0 40 HGAB CC(C)OCCCNC(=O)c1cn2c3c(cc(Br)cc3c1=O)C[C@@H]2C 33089238 ZZTTZQLMKCERNH-LBPRGKRZSA-N 407.308 3.426 0 40 HGAB Cc1ccc2cc(CN(C[C@H]3CCCO3)C(=O)c3ccccc3)c3nnnn3c2c1 35290958 OGHYXCBCLAGEOV-HXUWFJFHSA-N 401.470 3.407 0 40 HGAB Fc1ccccc1[C@@H](c1nnnn1Cc1ccco1)N1CCN(C2CCCCC2)CC1 35291465 HWSXXKXNLPWJOI-QFIPXVFZSA-N 424.524 3.493 0 40 HGAB O=C(CN1CCC(Cn2c(C(F)(F)F)nc3ccccc32)CC1)NC[C@H]1CCCO1 38535992 BOLYXDIHORVLGD-MRXNPFEDSA-N 424.467 3.062 0 40 HGAB COc1ccccc1NC(=O)[C@H]1CN(S(C)(=O)=O)c2cc(C(C)(C)C)ccc2O1 38835103 ODURZGYXRASKOH-LJQANCHMSA-N 418.515 3.158 0 40 HGAB CCN1C(=O)/C(=C/c2cn(CC(=O)NCc3ccccc3)c3ccccc23)NC1=S 39556791 NDICDMCSIMWPMC-UNOMPAQXSA-N 418.522 3.035 0 40 HGAB CN(CCOc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)N1CCOCC1 40104705 UJZDLTGQJWEEKU-UHFFFAOYSA-N 417.893 3.355 0 40 HGAB O=C(NCc1ccccc1)C1CCN(C(=O)c2cccnc2N2CCCCC2)CC1 40131556 HCGNPHDQYCLPSY-UHFFFAOYSA-N 406.530 3.241 0 40 HGAB O=C(NC1CCN(c2ccc(C(F)(F)F)cn2)CC1)[C@H]1CC(c2ccccc2)=NO1 40134421 DSPXIGJMKWSBQZ-GOSISDBHSA-N 418.419 3.379 0 40 HGAB COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)[C@@H](C)Oc1cccc(C)c1C 44848949 WTTOOXWPVHQHSE-MRXNPFEDSA-N 420.531 3.405 0 40 HGAB CCOc1ccc(S(=O)(=O)NCCCN2C[C@H](C)O[C@@H](C)C2)c2ccccc12 48289405 RJJLBVWMYCQSDB-IRXDYDNUSA-N 406.548 3.016 0 40 HGAB O=C(CN1CCc2[nH]c3ccc(Cl)cc3c(=O)c2C1)Nc1ccc(F)c(F)c1 48987904 GGMMHUINBQWFOD-UHFFFAOYSA-N 403.816 3.457 0 40 HGAB CCCCCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(F)c(F)c2)c1=O 51357767 NUAQZQLREZZKKP-UHFFFAOYSA-N 401.413 3.270 0 40 HGAB CCCCOC(=O)c1ccc(NC(=O)c2ccccc2N(C)S(C)(=O)=O)cc1 52410915 KXKDNESTKBOMTR-UHFFFAOYSA-N 404.488 3.292 0 40 HGAB Cc1ccccc1-n1c(=O)c2sccc2n(CC(=O)N2C[C@@H](C)C[C@H](C)C2)c1=O 57489683 WLXRRRHQEKSAJL-GJZGRUSLSA-N 411.527 3.027 0 40 HGAB CC(=O)N1CCCN(C(=O)NCC2(c3ccc(Br)cc3)CCC2)CC1 57860796 FAFDNXBNRFGRTM-UHFFFAOYSA-N 408.340 3.135 0 40 HGAB Cc1cc(CN2CCCN(C(=O)c3c(C)nn(-c4ccc(F)cc4)c3C)CC2)no1 58331638 GWRGCOQOKAFCLD-UHFFFAOYSA-N 411.481 3.273 0 40 HGAB CN1CCC(N(C)C[C@@H](NC(=O)NCCc2cccs2)c2ccccc2)CC1 58438142 SUGRCMSOTFJOOJ-OAQYLSRUSA-N 400.592 3.357 0 40 HGAB NC(=O)[C@H]1CCCN(Cc2ccccc2NC(=O)c2cc(-c3ccccc3)[nH]n2)C1 58441015 LZNPGQMLAIHTNU-SFHVURJKSA-N 403.486 3.026 0 40 HGAB Cc1ccc2occ(CN3CCc4c(nc(N5CCCC[C@@H]5C)[nH]c4=O)C3)c(=O)c2c1 72335600 BLEPUDJPLSAOGB-INIZCTEOSA-N 420.513 3.122 0 40 HGAB Cn1cnc(S(=O)(=O)N2CCC[C@H]2c2cccc(Cc3cccc(F)c3)n2)c1 72358249 WHLFRTZFOZPQKL-IBGZPJMESA-N 400.479 3.071 0 40 HGAB COc1ncc([C@]2(O)CC[C@H]3CN(Cc4ccccc4C(F)(F)F)C[C@H]32)c(OC)n1 72392584 SCUWQSBNYJGRGO-JNAXZKDPSA-N 423.435 3.242 0 40 HGAB COc1cc(CN2CCC([C@H](NC(C)=O)c3nccs3)CC2)cc(OC)c1OC 72394569 JVMBGKMVXFTFKA-IBGZPJMESA-N 419.547 3.258 0 40 HGAB CCN1C(=O)c2ccccc2C(=O)[C@@]2(C)CN(Cc3ccc(OC)cc3OC)C[C@@H]12 72395851 LARKINMSCXMTPA-QPPBQGQZSA-N 408.498 3.253 0 40 HGAB COc1ccc(Cc2n[nH]c(NC(=O)c3ccc(Nc4ncccn4)cc3)n2)cc1 95473290 XVFZQPNOPJWLCC-UHFFFAOYSA-N 401.430 3.190 0 40 HGAB Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)c1cc(S(=O)(=O)N2CCCC2)c(C)o1 95944639 HBWMDLYBPUYTDP-ZDUSSCGKSA-N 422.551 3.123 0 40 HGAB COc1ccc(CN2CCN(C(=O)c3ccccc3)CC2)c(Br)c1O 97376880 IYJZRCMGJVGYMW-UHFFFAOYSA-N 405.292 3.121 0 40 HGAB COc1cc(-c2noc(-c3nc(-c4ccc5c(c4)OCO5)no3)n2)cc(OC)c1OC 98212348 FFJIRLIKTNQMCM-UHFFFAOYSA-N 424.369 3.208 0 40 HGAB O=C(CC12C[C@@H]3C[C@@H](C1)CC(n1cncn1)(C3)C2)N1CCC(Oc2cccnc2)CC1 100731165 KQJXAQBMNRPSHC-AYJAPBJVSA-N 421.545 3.429 0 40 HGAB Cc1ccc(NC(=O)CCCN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1C 113966060 PHKABYWJWCNDMV-UHFFFAOYSA-N 418.515 3.260 0 40 HGAB CCOC(=O)c1ccc(NC(=O)[C@H](CC)N(c2ccccc2)S(C)(=O)=O)c(C)c1 219083289 VQOTXMJOYJAWTI-IBGZPJMESA-N 418.515 3.355 0 40 HGAB Cc1cccc(N([C@@H](C)C(=O)NCCSCc2ccccc2F)S(C)(=O)=O)c1 220141583 YPQVJOKMMMTYEZ-INIZCTEOSA-N 424.563 3.338 0 40 HGAB O=S(=O)(Cc1cccc(Br)c1)NCc1nc(-c2cccs2)no1 223656272 DNLBANVHXNAUFB-UHFFFAOYSA-N 414.306 3.180 0 40 HGAB CCN(c1cc(C(=O)OC)ccc1Cl)S(=O)(=O)c1ccc2c(c1)OCCO2 224842381 YKNQAYVNHFKGCZ-UHFFFAOYSA-N 411.863 3.113 0 40 HGAB O=C(Cn1ccc(=O)c2ccc(Br)cc21)Nc1ccc2c(c1)OCCO2 225740453 DDTKTDVHUUOOIV-UHFFFAOYSA-N 415.243 3.174 0 40 HGAB CCOC(=O)N1CCN(C(=O)CCc2nc(-c3cccc4ccccc34)no2)CC1 225829698 MBMVZCPOLGJNAY-UHFFFAOYSA-N 408.458 3.123 0 40 HGAB C[C@@H]1CCN(C(=O)C2=CC(c3ccc(F)cc3)=NS(=O)(=O)N2C)[C@H]2CCCC[C@H]21 230118842 KVPSFZYRUKXTRM-LJHODMEESA-N 419.522 3.116 0 40 HGAB Cc1cc(C)n(CCOc2ccc(CN(C)C[C@H](O)COc3ccccc3)cc2)n1 257267113 MGAOWTPDGPKIMD-QFIPXVFZSA-N 409.530 3.451 0 40 HGAB Cc1cc(C)n(CC(=O)N2CCCC[C@H]2c2ncc(Cc3ccc(F)cc3)o2)c(=O)n1 257294885 QWDSFODTYXNVCB-FQEVSTJZSA-N 424.476 3.332 0 40 HGAB O=C(COc1cccc2cccnc12)N1CC[C@H](O)[C@@H](Oc2ccccc2F)CC1 257330681 XPLSZUXLQBHTMF-ICSRJNTNSA-N 410.445 3.184 0 40 HGAB CC(=O)N1[C@@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)N2C(=O)c1cnc(C)cn1 257344115 ZVUFKHRLIHJFGL-LYVDORBWSA-N 418.541 3.400 0 40 HGAB Cc1cccc(C)c1N(CC(=O)N[C@H](C)c1ccc2c(c1)CCC2)S(C)(=O)=O 260945420 UYJAAGHQXLFRKR-QGZVFWFLSA-N 400.544 3.436 0 40 HGAB Cc1noc(C)c1CN1CCN(C)[C@H](c2cn3c(-c4ccncc4)cccc3n2)C1 306129429 ICRWTKUZKPZHEF-QFIPXVFZSA-N 402.502 3.490 0 40 HGAB CC(C)n1cc(C(=O)N2C[C@]3(F)CN(CC4CC4)C(=O)[C@]3(F)C2)c(C(F)(F)F)c1 306140727 VCGVOFZVIFPYIL-QZTJIDSGSA-N 419.394 3.212 0 40 HGAB CCOc1ccc(N([C@@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)S(C)(=O)=O)cc1 408630292 RDODGKILOZYQFO-BZSISCHUSA-N 420.575 3.325 0 40 HGAB Cc1ccc(CNC(=O)C(=O)Nc2ccccc2C(=O)NCCc2ccccc2)cc1 408709682 FICADSGZQHYGMT-UHFFFAOYSA-N 415.493 3.222 0 40 HGAB Cc1c(CC(=O)Nc2ccc(OCCN3CCCC3)cc2)c(=O)oc2cc(O)ccc12 524729187 HTPVQVKQOCXWBD-UHFFFAOYSA-N 422.481 3.463 0 40 HGAB biogenic COc1cc2c(cc1OC)CN(C(=O)[C@H](C(C)C)N1Cc3ccccc3C1=O)CC2 524731864 MVIXCMZAZCIHAS-QFIPXVFZSA-N 408.498 3.269 0 40 HGAB biogenic Cc1ccc2[nH]cc(CCN3C(=O)[C@@H](C(N)=O)[C@H]4C[C@@]3(C)Oc3ccccc34)c2c1 524731894 NYRCJXIASOQEEL-SNYIIPAISA-N 403.482 3.245 0 40 HGAB biogenic Cc1cc(C)cc([C@H]2CCN(C(=O)Nc3cc(C)nn3[C@@H]3CCS(=O)(=O)C3)C2)c1 558244171 LMQWVINRCGZIOV-PKOBYXMFSA-N 416.547 3.189 0 40 HGAB Cc1nccn1CCCC(=O)N1CCO[C@@H](c2cccc(Nc3ccc(F)cn3)n2)C1 607855254 YRNRORZNZVQXOK-LJQANCHMSA-N 424.480 3.245 0 40 HGAB O=C(Nc1cccc(C[S@@](=O)Cc2ccccc2)c1)c1ccnc2[nH]c(O)nc12 1633615728 DYZSTWMJQOBQJA-LJAQVGFWSA-N 406.467 3.365 0 40 HGAB FC(F)(F)c1cnc(N2CCN(c3cc(-n4cccn4)ncn3)CC2)c(Cl)c1 1889152050 FBUPKZPBIHNTHG-UHFFFAOYSA-N 409.803 3.056 0 40 HGAB CCSc1nc2c(c(=O)n(Cc3ccccc3)c(=O)n2C)n1Cc1ccccc1 725556 YAHWVXWNSZHGCH-UHFFFAOYSA-N 406.511 3.105 0 40 HGAB COc1ccc([C@H](NC=O)c2cc(OC)c(OC)cc2Br)cc1OC 2291772 SNKYYZWONBESHP-SFHVURJKSA-N 410.264 3.319 0 40 HGAB O=C(COC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1)NCc1ccccc1 3489325 WOSJJHBZEUHXSX-UHFFFAOYSA-N 412.449 3.408 0 40 HGAB Cc1c(CC(=O)Nc2ccccc2C(N)=O)c(=O)oc2cc3c(cc12)CCC(C)(C)O3 4089738 DDQSQYKVFMPCPA-UHFFFAOYSA-N 420.465 3.485 0 40 HGAB biogenic COc1ccc(C(=O)Nc2c3c(nn2-c2ccccc2C)C[S@@](=O)C3)cc1OC 4106306 HIGSVPIJWZTCDS-GDLZYMKVSA-N 411.483 3.213 0 40 HGAB O=C(Nc1nnc(SCc2cccnc2)s1)[C@@H]1CC(=O)N(c2ccccc2)C1 4271768 STZRCXFNYQQQDD-CQSZACIVSA-N 411.512 3.217 0 40 HGAB O=C(CSc1ccc2nnc(-c3cccs3)n2n1)Nc1ccc2c(c1)OCO2 4326668 CGQKDOUZXIDHOX-UHFFFAOYSA-N 411.468 3.312 0 40 HGAB CCOc1ccc(OCC(=O)Oc2coc(CSc3ncccn3)cc2=O)cc1 4377320 AMTDEODAXVSNOL-UHFFFAOYSA-N 414.439 3.105 0 40 HGAB Cc1cccc(-n2ncc3c(=O)n(CC(=O)Nc4ccc(Cl)cc4)cnc32)c1C 4479234 BSWKOVXPKPJFBK-UHFFFAOYSA-N 407.861 3.491 0 40 HGAB COc1cc2c(cc1OC)CN1C(=S)N(c3cccc(SC)c3)C(=O)[C@@H]1C2 4761289 BQQBOLKJKXIKHP-INIZCTEOSA-N 400.525 3.484 0 40 HGAB COc1ccc([C@H]2NC(=O)N[C@](O)(C(F)(F)F)[C@H]2C(=O)c2ccc(C)cc2)cc1 4833751 LECMBOBJABEQBY-GPMSIDNRSA-N 408.376 3.108 0 40 HGAB O=C1CCCN1C(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1 4835767 KEKABJRXKKJOFO-UHFFFAOYSA-N 413.890 3.224 0 40 HGAB COc1ccc(Cc2nnc(SCCCC(=O)c3ccc(F)cc3)n2N)cc1 4915971 TUCKHEPVDFWYNV-UHFFFAOYSA-N 400.479 3.486 0 40 HGAB COc1ccc(Cc2nnc(SCC(=O)Nc3ccc(C(C)C)cc3)n2N)cc1 4916090 YNBIEFCMNVNPHT-UHFFFAOYSA-N 411.531 3.446 0 40 HGAB Cc1ccc([C@@H](C(=O)NC(C)(C)C)N(C[C@H]2CCCO2)C(=O)c2csnn2)cc1 4965265 JKHPWLWIUDJMAS-AEFFLSMTSA-N 416.547 3.124 0 40 HGAB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(Br)ccc1OC(F)F 5601023 RZHVIEGSEFNUTJ-LBPRGKRZSA-N 405.195 3.242 0 40 HGAB CN(C)c1cc(NC(=O)CN2CCN(Cc3ccccc3)CC2)c2ccccc2n1 5783074 TZIWRRKVHVBPQG-UHFFFAOYSA-N 403.530 3.057 0 40 HGAB biogenic CCCNC(=O)[C@@H]1CC(=O)N(c2ccc(OCC(=O)Nc3cc(C)ccc3C)cc2)C1 5864107 SQQBSQSEZABPLX-GOSISDBHSA-N 423.513 3.200 0 40 HGAB O=C(NC12CC3CC(CC(C3)C1)C2)C1CCN(S(=O)(=O)c2ccccc2F)CC1 6053130 SFPIRTUTTWROCI-UHFFFAOYSA-N 420.550 3.311 0 40 HGAB O=S(=O)(c1cccc(CSc2ncnc3sccc23)c1)N1CCOCC1 6115624 ZWGJIZQZPMHAQI-UHFFFAOYSA-N 407.542 3.005 0 40 HGAB CCOc1ccc(N(CC(=O)NCCC(C)C)S(=O)(=O)c2ccccc2)cc1 6355211 ARJMPJNIVZZXOT-UHFFFAOYSA-N 404.532 3.443 0 40 HGAB C[C@@]1(c2ccc3c(c2)OCCCO3)NC(=O)N(CCOc2ccc(Cl)cc2)C1=O 6608606 VHLYTWBVSDLMLK-NRFANRHFSA-N 416.861 3.347 0 40 HGAB CC1CCN(S(=O)(=O)c2nnc(NC(=O)c3cccc4ccccc34)s2)CC1 6817794 ZSRMEOBKLZAUSK-UHFFFAOYSA-N 416.528 3.364 0 40 HGAB CCN(Cc1ccccc1)C(=O)CSC1=NS(=O)(=O)c2ccc(C)cc2N1 6918660 BJLVXPAHFXZPPW-UHFFFAOYSA-N 403.529 3.247 0 40 HGAB Cc1ccccc1OCCOC(=O)[C@]12CCC(=O)N1c1ccccc1C(=O)N2C1CC1 7072571 JATBROALDZCJOE-DEOSSOPVSA-N 420.465 3.059 0 40 HGAB O=C(CCn1c(=O)oc2cc(Cl)ccc21)NCc1ccc(N2CCCC2=O)cc1 7491753 VJZKWVYEZAZXLR-UHFFFAOYSA-N 413.861 3.081 0 40 HGAB COc1ccc(NC(=O)CCCc2c[nH]c3ccccc23)cc1S(=O)(=O)N(C)C 7735244 WAJBQYCHOGOWIW-UHFFFAOYSA-N 415.515 3.388 0 40 HGAB COc1ccc([C@H](NC(=O)Cn2nnc(-c3ccsc3)n2)c2ccccc2)cc1 8000409 ZJPZTFZFJJGZSL-HXUWFJFHSA-N 405.483 3.316 0 40 HGAB Cc1cccc(C)c1N1C[C@@H](C(=O)OCC(=O)Nc2ccc(Cl)cc2)CC1=O 8040020 KYXJBEIOQRJPPU-HNNXBMFYSA-N 400.862 3.492 0 40 HGAB Cc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)c2)cc1 8040094 GNPKPZQYRYJFFV-WOJBJXKFSA-N 418.449 3.246 0 40 HGAB COc1ccc(CNC(=O)Cn2c(-c3cscn3)nc3ccccc32)cc1OC 8276200 ZIODVWBQCAYHQW-UHFFFAOYSA-N 408.483 3.493 0 40 HGAB O=C(CCNS(=O)(=O)c1ccccc1)N1CCC[C@@H]1c1nc2ccccc2s1 9256445 IQEUPAFGAYZDSG-QGZVFWFLSA-N 415.540 3.328 0 40 HGAB O=C(Nc1ccc(Cl)c(N2CCCS2(=O)=O)c1)c1ccc(Br)o1 9569146 MJFSYVMBASYWTE-UHFFFAOYSA-N 419.684 3.488 0 40 HGAB COc1ccc(C)cc1S(=O)(=O)N1CCC[C@H](C(=O)N(C)Cc2ccccc2)C1 9974785 KGSXTGSSYKJYFX-IBGZPJMESA-N 416.543 3.063 0 40 HGAB O=C(Nc1nc2ccccc2s1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 10337384 ZRGGCBIFZDDCIV-UHFFFAOYSA-N 419.503 3.475 0 40 HGAB C[C@@H](Sc1nncn1CCc1cccs1)C(=O)NC(=O)NCc1ccccc1 11107448 IUZFYKFMTRTJPG-CQSZACIVSA-N 415.544 3.089 0 40 HGAB CS(=O)(=O)Nc1ccc(NC(=O)c2cccc(OCc3cscn3)c2)cc1 11144649 XOXRCPLDIIJXAP-UHFFFAOYSA-N 403.485 3.346 0 40 HGAB CC(C)c1cc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)c2cnn(C(C)C)c2n1 12797518 WPVAHEYBGGTVTH-UHFFFAOYSA-N 401.492 3.035 0 40 HGAB CC(=O)Nc1cc(NC(C)=O)cc(C(=O)O[C@H](C)C(=O)c2ccc(F)c(F)c2)c1 12866146 MVOPGXJUDGVLQD-SNVBAGLBSA-N 404.369 3.310 0 40 HGAB CCN(CC(=O)Nc1ccccc1Cl)S(=O)(=O)c1cc(F)ccc1OC 13581172 PVLWPAPOKMSRQF-UHFFFAOYSA-N 400.859 3.137 0 40 HGAB COc1ccc(C(=O)Nc2ccccc2)cc1S(=O)(=O)NCCc1ccccc1 13581772 KXEOQQPOHYBSKF-UHFFFAOYSA-N 410.495 3.469 0 40 HGAB Cc1cc(S(=O)(=O)NCCc2csc3nc(-c4cccs4)nn23)ccc1F 15783877 LWCZJRBOOYIAKB-UHFFFAOYSA-N 422.532 3.488 0 40 HGAB COc1ccc(Cn2nnnc2S[C@@H](C)C(=O)NCCC2=CCCCC2)cc1 16368941 BQDPZVIMOUVUGP-HNNXBMFYSA-N 401.536 3.217 0 40 HGAB CN(C)[C@@H](CNC(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)c1ccccc1 16599002 HIWFJRKLLVHKOM-KRWDZBQOSA-N 424.570 3.215 0 40 HGAB CN(C)c1nc(NC2CC2)nc(Oc2ccc(OCc3ccc(Cl)cc3)nn2)n1 16856960 JQSPZKMRWAONGU-UHFFFAOYSA-N 413.869 3.327 0 40 HGAB Cc1cccc(S(=O)(=O)NCCc2csc3nc(-c4cccs4)nn23)c1 17135499 ZSLQIWBDHKUSDP-UHFFFAOYSA-N 404.542 3.349 0 40 HGAB COc1ccc(-c2nnc3n2[C@H]2CCCC[C@@H]2N(C(=O)c2cnc(C)cn2)C3)cc1 19238959 NPWKZCVQLJQFEE-OALUTQOASA-N 404.474 3.192 0 40 HGAB CCc1cc(C(F)(F)F)c2c(C3CCN(C(=O)CCn4cncn4)CC3)noc2n1 19522054 PKVWOUIBLCANHN-UHFFFAOYSA-N 422.411 3.192 0 40 HGAB Cc1cc(C)n(-c2ccc(Cl)c(C(=O)N3Cc4ccccc4C[C@@H]3C(N)=O)c2)n1 19666452 CRBIBFKKWCNZTB-HXUWFJFHSA-N 408.889 3.195 0 40 HGAB Cc1nc(CN(C)C(=O)CCc2ccc(F)cc2)nc2c1CCC(=O)N2CC1CC1 19698111 XSVOEYUUAHLPMV-UHFFFAOYSA-N 410.493 3.205 0 40 HGAB COCCNC(=O)c1cc([C@H]2CN(CCc3ccccc3)CCO2)nc2ccccc12 19762279 CQQOVFKJCPOFOM-XMMPIXPASA-N 419.525 3.227 0 40 HGAB O=C(CS(=O)(=O)c1ccc(Br)c2ccccc12)Nc1nccs1 19823927 SOCMKCKYHQTGEU-UHFFFAOYSA-N 411.302 3.471 0 40 HGAB CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1cc(OC)c(OC)cc1C(=O)OC 20042494 LAZAHGFYDADWHP-KRWDZBQOSA-N 403.431 3.295 0 40 HGAB CC(C)(C)c1ccc(S(=O)(=O)n2c(CN3CCOCC3)nc3ccccc32)cc1 20150836 QXWSUTVMZSLXRC-UHFFFAOYSA-N 413.543 3.403 0 40 HGAB O=S1(=O)C=C[C@H](N(c2ccccc2)S(=O)(=O)c2ccc(Cl)c(Cl)c2)C1 20553716 WZVXOLXOCDBYKD-ZDUSSCGKSA-N 418.323 3.499 0 40 HGAB COC(=O)[C@H](CCSC)NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccccc1Cl 20725563 SVJDYRSDTMPDNG-DOTOQJQBSA-N 422.938 3.015 0 40 HGAB C[C@H]1Oc2ccc(NC(=O)CCCNC(=O)c3ccc(Cl)cc3)cc2NC1=O 21601159 RWSXSKAQOWNWPH-GFCCVEGCSA-N 401.850 3.208 0 40 HGAB CC(=O)c1ccc(NC(=O)Cn2cccc(-c3nc(-c4ccccc4)no3)c2=O)cc1 23125710 VIXVIVDRWZGGMW-UHFFFAOYSA-N 414.421 3.407 0 40 HGAB O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)c1ccc(Br)cc1 23156315 IUGOXVJAAVIICT-SFHVURJKSA-N 407.283 3.392 0 40 HGAB COc1cc(CC(=O)Nc2ccc(F)c(NC(=O)C3CC3)c2)cc(OC)c1OC 24746009 HDPGSICCGWRXGK-UHFFFAOYSA-N 402.422 3.381 0 40 HGAB O=S(=O)(c1ccc(S(=O)(=O)N2CC=C(c3ccccc3)CC2)cc1)C(F)F 26770307 LHEICLMVZLZHPR-UHFFFAOYSA-N 413.467 3.161 0 40 HGAB O=C1C[C@@H](c2ccco2)Cc2c1cnc1nc(NCCc3ccccc3)[nH]c(=O)c21 30903373 ITBFPQJPHXRIRO-HNNXBMFYSA-N 400.438 3.478 0 40 HGAB CCN(CC(=O)Nc1ccccc1C(F)(F)F)S(=O)(=O)N1C[C@H](C)C[C@@H](C)C1 32755523 QWTMGVUZLRBPFB-ZIAGYGMSSA-N 421.485 3.189 0 40 HGAB Cc1ccccc1OCCN(C)C(=O)c1cccc(S(=O)(=O)NC(C)(C)C)c1 32788609 BEAKBSROHHOAQQ-UHFFFAOYSA-N 404.532 3.223 0 40 HGAB CCN1CCN(c2ccccc2NC(=O)[C@@H](C)NC(=O)OCc2ccccc2)CC1 32905009 FZTUHCXTBGYXRW-GOSISDBHSA-N 410.518 3.082 0 40 HGAB CN(Cc1ccc(Cl)cc1)C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 32982299 XNDNSFWNJMEKPQ-QGZVFWFLSA-N 406.935 3.399 0 40 HGAB O=C(c1ccc(Cn2ccnc2)cc1)N1CCN(C(=O)[C@@H]2C[C@@H]2c2ccccc2)CC1 38732468 NYWCRDXRAFTMRN-DHIUTWEWSA-N 414.509 3.020 0 40 HGAB C[C@H]1C[C@H](C(N)=O)c2ccccc2N1C(=O)c1ccccc1I 40069772 MPJACOWFFIYZHX-FZMZJTMJSA-N 420.250 3.299 0 40 HGAB COc1ccc(CSc2nnc(S[C@H](C)C(=O)N3CCOCC3)s2)cc1 40158977 TXYNIEJWBXPJOG-GFCCVEGCSA-N 411.574 3.178 0 40 HGAB COC(=O)c1cc(NC(=O)N2CCc3[nH]cnc3[C@H]2c2ccncc2)ccc1Cl 40287643 VWJBNVDZSGPCJM-GOSISDBHSA-N 411.849 3.424 0 40 HGAB Cc1ccc(Oc2nccn3c(=O)n(CC(=O)Nc4cc(C)ccc4C)nc23)cc1 49008277 IPQQPMGNCWLHDC-UHFFFAOYSA-N 403.442 3.247 0 40 HGAB Cc1ccc(Oc2ccc(NC(=O)CN3CCN(c4ncccn4)CC3)cc2)cc1 57369533 RRGXWZINUHIQBV-UHFFFAOYSA-N 403.486 3.338 0 40 HGAB CC(=O)c1cccc(NC(=O)Cn2cc(-c3ccccc3)c(N3CCOCC3)n2)c1 62006873 TVDACKIFTKHYNW-UHFFFAOYSA-N 404.470 3.228 0 40 HGAB COCCn1cnc2c(-c3ccccc3)cn(CC(=O)Nc3cccc(C)c3)c2c1=O 65113575 WBWIWXIOJHFAOR-UHFFFAOYSA-N 416.481 3.459 0 40 HGAB Cc1cc(-c2ccc(N)nc2)cc([C@H]2CCN(C(=O)c3ccc4c(c3)OCCO4)C2)n1 72374646 ZYSLAJOFWGUCIS-SFHVURJKSA-N 416.481 3.435 0 40 HGAB O=C(Nc1nncs1)[C@@H]1c2ccccc2C(=O)N(C[C@H]2CCCO2)C12CCCC2 72400397 YOQPFTGIHXJWIK-PBHICJAKSA-N 412.515 3.208 0 40 HGAB CN(C[C@H](O)COc1ccccc1C(F)(F)F)c1ncc(Br)cn1 78721798 PYROHQKNADZOMF-NSHDSACASA-N 406.202 3.134 0 40 HGAB CCS(=O)(=O)c1ccc(Cl)cc1NC(=O)NCc1ncc(C)c(OC)c1C 84811659 RAPGFGSDSANGJH-UHFFFAOYSA-N 411.911 3.476 0 40 HGAB CC(C)C[C@H](NC(=O)COc1cccc(NC(=O)C2CC2)c1)C(=O)OC(C)(C)C 95415721 DAVGYCPARRJPAE-SFHVURJKSA-N 404.507 3.287 0 40 HGAB CN(Cc1ccccc1Br)C(=O)CCN[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 95444374 VCYKWBJRYYCPME-IPELMVKDSA-N 407.352 3.345 0 40 HGAB Cn1cnn(-c2ccc(NC(=O)c3cc4cc(Br)ccc4o3)cc2)c1=O 95457799 UJQDYSKKKJPNFT-UHFFFAOYSA-N 413.231 3.332 0 40 HGAB CCC(CC)NC(=O)c1ccc2nnc([C@@H]3CN(CC4CC4)CCN3C(C)C)n2c1 96156821 DPONANJIXYGCGG-FQEVSTJZSA-N 412.582 3.125 0 40 HGAB O=C(O)[C@@H]1COC2(CCN(Cc3ccccc3)CC2)N1C(=O)/C=C\c1ccccc1 96536909 CUUBZBHURCXLNP-GMGKOPGTSA-N 406.482 3.004 0 40 HGAB C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)C[C@@H](O)[C@]4(C)[C@H]3C[C@H](O)[C@@]21C 97978758 DAKYVYUAVGJDRK-FPUZENINSA-N 408.579 3.449 0 40 HGAB endogenous,in-man Cc1c(Cl)cccc1N1C(=O)[C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 101181121 QYKFPSKFNDXJHN-QPXQOZNCSA-N 421.884 3.080 0 40 HGAB CCCCOCCOCCO[C@H]1[C@H]2C[C@@H]3[C@@H]1[C@]3(OCCOCCOCCCC)C2 104205569 BEKMSUFDXFEFDV-SPHOGXRMSA-N 414.583 3.463 0 40 HGAB Oc1nnc(-c2ccc(Br)cc2)c2c1Nc1nnnn1[C@H]2c1ccccc1 112000088 WZIJXDPLJQRPLF-INIZCTEOSA-N 422.246 3.293 0 40 HGAB COc1ccc(CCC(=O)N[C@@H]2CCN(c3ccccn3)C2)cc1Br 206826819 SKJKZCMNSZNEFW-OAHLLOKOSA-N 404.308 3.180 0 40 HGAB O=C(CCCN1C(=O)c2ccccc2S1(=O)=O)NCCCc1ccc(Cl)cc1 219441518 MFPLQPRFWUWKPN-UHFFFAOYSA-N 420.918 3.014 0 40 HGAB S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2-c2ccccn2)N1C[C@@H]1CCCO1 223295637 NGKHULDQHTYIKC-NDXORKPFSA-N 405.527 3.419 0 40 HGAB S=C(NCc1cccnc1)Nc1ncc(Br)cc1Br 223936839 OECCZEBOMXVEHP-UHFFFAOYSA-N 402.115 3.488 0 40 HGAB CCN(CC)C(=O)c1ccc(CN(CC)S(=O)(=O)c2ccc(OC)cc2)cc1 224463873 QLWWOWQXQDZYLJ-UHFFFAOYSA-N 404.532 3.388 0 40 HGAB COc1ccc(Br)c(C(=O)NCC2CCN([C@@H]3CCSC3)CC2)c1 225571424 OCBWROBLAASPQZ-CQSZACIVSA-N 413.381 3.405 0 40 HGAB COc1ccc(CC(=O)NC[C@@](O)(c2ccsc2)c2cccs2)cc1OC 238909456 SBVRHQWEOBFKNY-HXUWFJFHSA-N 403.525 3.422 0 40 HGAB CCOc1ccc(N([C@H](C)C(=O)N2c3ccccc3C[C@H]2C)S(C)(=O)=O)cc1 248376743 DMOOHHQTAWCVQX-HZPDHXFCSA-N 402.516 3.218 0 40 HGAB CCn1c(CCC(=O)N(C)[C@@H]2CCC[C@@H](n3ccnc3C)[C@@H]2O)nc2ccccc21 257211480 BZAJJOIZTHNTTB-TXTKFYIRSA-N 409.534 3.107 0 40 HGAB O=C(N1CCOC[C@H](Cc2ccc3nccn3n2)C1)C1(c2cccc(F)c2)CCCC1 257212173 CCFVBAAMENNEOQ-GOSISDBHSA-N 422.504 3.398 0 40 HGAB COc1ccc([C@@H](C)NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)cc1 260740236 MKHPAVIEJSBFHI-WBVHZDCISA-N 420.506 3.112 0 40 HGAB CSc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H](C)c2ccc3c(c2)CCC3)cc1 260932875 NFWAGEBLZXPFTA-OAHLLOKOSA-N 418.584 3.395 0 40 HGAB O=C1N(Cc2ccc(F)cc2)CCO[C@@]12CN(Cc1ccco1)C[C@@H]2c1cccnc1 306127037 FMEVUBULSOEPEA-ISKFKSNPSA-N 421.472 3.211 0 40 HGAB O=C(NC1CCCCC1)c1ccc(N2C(=O)c3nc4ccccc4nc3C2=O)cc1 408977129 UKYYIJXWFAEQAU-UHFFFAOYSA-N 400.438 3.493 0 40 HGAB Cc1sc2ncn(CCC(=O)N3C[C@H](c4ccccc4)OC[C@H]3C)c(=O)c2c1C 589544974 DBQORWUKZZWTQO-RDTXWAMCSA-N 411.527 3.454 0 40 HGAB O=S1(=O)CC[C@@H](CN2CCC(c3ccc4cc(-c5ccncc5)cnc4n3)CC2)C1 1888914242 HGAFLGMGOWTSBD-KRWDZBQOSA-N 422.554 3.306 0 40 HGAB CC(=O)N1CCC[C@]1(Cc1ccccc1-c1ccccc1)C(=O)N1CCCN(C)CC1 2037834490 KIEGZLZNTJCFOC-SANMLTNESA-N 419.569 3.441 0 40 HGAB COc1ccc(C(=O)CSc2nnc(CSc3nc(C)cc(C)n3)n2C)cc1 883013 AZZKENLPVCUMHE-UHFFFAOYSA-N 415.544 3.498 0 40 HGAB Cc1ccc(N2C(=O)N(C)C(C)(C)[C@H]2n2oc(=O)n(-c3ccc(C)cc3)c2=O)cc1 1237377 LAGYXMPISLDCRG-GOSISDBHSA-N 408.458 3.058 0 40 HGAB CC(C)[C@H]1Oc2ccccc2N(CC(=O)N(Cc2ccccn2)C[C@@H]2CCCO2)C1=O 1362017 OJBCVHZSJPBIOD-WMZHIEFXSA-N 423.513 3.039 0 40 HGAB Cc1cc(=O)n2c(C(=O)NCc3ccccc3)c(C(=O)Nc3ccccc3)sc2n1 1907065 ZRFRHPXYFXQHEN-UHFFFAOYSA-N 418.478 3.247 0 40 HGAB CCOC(=O)c1ccccc1OCc1cc([C@@H]2N[C@@H](C(=O)O)CS2)ccc1OC 2417152 VZTDKGMQALZQHJ-VQIMIIECSA-N 417.483 3.239 0 40 HGAB Cc1ccc(Nc2nnc(SCC(=O)NC(=O)NCc3ccco3)s2)cc1 3469819 BWWIAKBRNTVIHC-UHFFFAOYSA-N 403.489 3.301 0 40 HGAB CCOc1ccc(C(=O)CCC(=O)NCC(=O)Nc2ccc(F)c(F)c2F)cc1 3477213 UTWCAAWMLRHXTF-UHFFFAOYSA-N 408.376 3.220 0 40 HGAB COCCCn1c(SCC(=O)Nc2ccccc2OC)nc2ccccc2c1=O 4160902 WOIXWHPOEVASNF-UHFFFAOYSA-N 413.499 3.172 0 40 HGAB O=C(Nc1ccc2c(c1)OCO2)c1ccc(N2CCCCS2(=O)=O)cc1Cl 5099745 RLBMAOMBDODDBP-UHFFFAOYSA-N 408.863 3.251 0 40 HGAB CS(=O)(=O)N1CCCc2ccc(NC(=O)c3ccccc3Br)cc21 5136770 KRXUHGHVZVTHKR-UHFFFAOYSA-N 409.305 3.414 0 40 HGAB COC(=O)[C@@H](NC(=O)Nc1cc(-c2n[nH]c(=O)c3ccccc23)ccc1C)C(C)C 5207601 OEGPOUFNKAKSCJ-SFHVURJKSA-N 408.458 3.218 0 40 HGAB CCCOc1ccccc1C(=O)N(Cc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 5529094 WTWFGIAOPWFLMP-SFHVURJKSA-N 405.491 3.444 0 40 HGAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)c2cc3ccccc3oc2=O)c1 5979299 MQUNVJXLQRBQKQ-UHFFFAOYSA-N 400.456 3.076 0 40 HGAB COc1ccc2[nH]cc(CCNC(=O)COc3ccc4c(C)cc(=O)oc4c3)c2c1 6624062 OSFZSOTVTOVTPK-UHFFFAOYSA-N 406.438 3.329 0 40 HGAB biogenic CCC[C@@H](C)NC(=O)CCc1ccc(S(=O)(=O)NCCc2ccccc2)cc1 6944671 FOMJJRBCQWTEBV-GOSISDBHSA-N 402.560 3.445 0 40 HGAB COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1c(-c2ccccc2)noc1C 7738548 GZDHMIZXZRRPLG-UHFFFAOYSA-N 418.453 3.175 0 40 HGAB Cc1cc(NC(=O)CNC(=O)c2ccc(Br)o2)ccc1Br 8753041 AIYDJSXIXVYZTK-UHFFFAOYSA-N 416.069 3.482 0 40 HGAB O=C(CN1C(=O)N[C@@]2(CCCc3sccc32)C1=O)N1CC=C(c2ccccc2)CC1 8755419 DUJLMCIYWIUSFL-HSZRJFAPSA-N 421.522 3.147 0 40 HGAB COc1ccc2c(c1)c1nc3n(c(=O)c1n2CC(=O)Nc1ccc(F)cc1)CCS3 8971455 YCEMUTLSIDMTED-UHFFFAOYSA-N 424.457 3.243 0 40 HGAB CC(C)c1ccc(C(=O)Cn2c(=O)n(Cc3ccncc3)c(=O)c3ncccc32)cc1 9001502 RDYBTNMYPQVUOW-UHFFFAOYSA-N 414.465 3.008 0 40 HGAB O=C(Nc1ccc(F)cc1)[C@@H](Sc1nnnn1C[C@H]1CCCO1)c1ccccc1 9255360 BWLWZISEVCNXRH-MSOLQXFVSA-N 413.478 3.463 0 40 HGAB O=C(CSc1nnc(-c2ccccc2)c(=O)[nH]1)Nc1ccc(Br)cc1 9306624 AGGQAROZLVSHLO-UHFFFAOYSA-N 417.288 3.325 0 40 HGAB O=C(CSc1nnnn1-c1ccc(Cl)cc1)Nc1ccc2c(c1)OCCCO2 9530836 KNCLEWNYNNVTGS-UHFFFAOYSA-N 417.878 3.208 0 40 HGAB CCOc1ccc(N2CCn3c(SCC(=O)Nc4nccs4)nnc32)cc1 9651537 OKWFDBVZXDXDRO-UHFFFAOYSA-N 402.505 3.016 0 40 HGAB CC(C)n1nc(C(=O)Nc2cc3c(cc2C(=O)O)OCCCO3)c2ccccc2c1=O 9877461 DAUBICJZDNFVRS-UHFFFAOYSA-N 423.425 3.089 0 40 HGAB Cc1cccc(Cn2c(=O)c3c(nc4n3CCN4c3cc(C)ccc3C)n(C)c2=O)c1 10104770 RJOSUMRBSOKPBS-UHFFFAOYSA-N 415.497 3.022 0 40 HGAB Cc1ccc(CCCNC(=O)c2ccc(C)c(S(=O)(=O)N3CCCC3)c2)cc1 10110541 HYOJLFRXVHNZDI-UHFFFAOYSA-N 400.544 3.451 0 40 HGAB CS(=O)(=O)Nc1cccc(C(=O)Nc2ccccc2C(=O)N2CCCCCC2)c1 10112718 JJDWYXMXDHPIRR-UHFFFAOYSA-N 415.515 3.327 0 40 HGAB C[C@@H](Sc1nnc(-c2ccncc2)n1Cc1ccccc1)C(=O)NC[C@H]1CCCO1 10213494 DFGGNMPKDSSYKF-VQIMIIECSA-N 423.542 3.164 0 40 HGAB O=C(CSc1ccc(NC(=O)c2cccc(F)c2)nn1)NCc1cccs1 11738029 MENXQDRNAQGAPW-UHFFFAOYSA-N 402.476 3.338 0 40 HGAB O=S(=O)(N1CCCC1)N1[C@H]2CC[C@H](C2)[C@H]1COc1cccc(C(F)(F)F)c1 12085319 PMERYZRFVXHACU-UKPHBRMFSA-N 404.454 3.278 0 40 HGAB C[C@H](OC(=O)[C@H]1CC(=O)N(Cc2ccccc2Cl)C1)C(=O)NC1CCCCC1 12092654 WAQUQUJLNLPKCS-HOCLYGCPSA-N 406.910 3.069 0 40 HGAB CCOc1ccc(CN2CCC(c3cc(O)nc(-c4cnccn4)n3)CC2)cc1OC 12275907 OSXRWFYEXDVMRG-UHFFFAOYSA-N 421.501 3.426 0 40 HGAB COc1ccccc1Cn1c(C)c2c(=O)n(-c3nc4ccccc4s3)[nH]c2cc1=O 12406727 AGJJVSXDTBGJDL-UHFFFAOYSA-N 418.478 3.456 0 40 HGAB Cc1ccnc(NC(=O)c2cccc(S(=O)(=O)N3CCc4sccc4C3)c2)c1 12553673 OUIUXZVLMHMTMT-UHFFFAOYSA-N 413.524 3.451 0 40 HGAB CCCCCc1nnc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(C)cc2)s1 12583581 GMPUGDGKTUDUKJ-INIZCTEOSA-N 422.576 3.371 0 40 HGAB CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2C(=O)NC(C)C)cc1 12748684 FJRVAXOZBWGBBX-UHFFFAOYSA-N 422.503 3.042 0 40 HGAB CC[C@H](NC(=O)CCc1c(C)c2cc3c(cc2oc1=O)OC(C)(C)CC3)C(=O)O 12901416 OEKUPHHOEWMBRL-INIZCTEOSA-N 401.459 3.117 0 40 HGAB biogenic COc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2ccc(C)c(Cl)c2)cc1 12982259 OOPPLDBMUSGSSD-GOSISDBHSA-N 408.907 3.449 0 40 HGAB CCOC(=O)c1c(C)[nH]c(C(=O)CN(C)Cc2ccc(OC)c(OC)c2OC)c1C 13135336 UUCJKFYLJZUJBW-UHFFFAOYSA-N 418.490 3.149 0 40 HGAB Cc1cc(NS(=O)(=O)c2ccc(NC(=O)Cc3ccccc3F)cc2)nc(C)n1 13135504 OHADKMNJNFUGAH-UHFFFAOYSA-N 414.462 3.215 0 40 HGAB COc1ccccc1N(CC(=O)N1CCC[C@@H](C)C1)S(=O)(=O)c1ccc(C)cc1 13672512 QKXZFGIJEDKPAJ-GOSISDBHSA-N 416.543 3.457 0 40 HGAB COc1cc2oc(=O)c(CC(=O)N3CCO[C@@H](c4ccccc4)C3)c(C)c2cc1OC 13692192 NVYXUFYTLYWZPZ-JOCHJYFZSA-N 423.465 3.261 0 40 HGAB O=C(Cc1cccs1)Nc1cc(-c2ccccc2)nn1[C@@H]1CCS(=O)(=O)C1 13693188 BRDXCPDUAPVSIL-OAHLLOKOSA-N 401.513 3.152 0 40 HGAB Cc1ccc(-c2cc(C(=O)N3CCN(c4ncccn4)CC3)c3c(C)noc3n2)s1 14106757 OUJABENDQZMADE-UHFFFAOYSA-N 420.498 3.321 0 40 HGAB O=C(CNC(=O)c1ccc(Br)o1)NCc1cccc(C(F)(F)F)c1 17064698 FGLXBRVRVAGUCC-UHFFFAOYSA-N 405.170 3.107 0 40 HGAB S=C(NC[C@H](c1cccnc1)N1CCOCC1)Nc1ccc(Br)cc1 17169534 RWLHEFINWMGZIV-QGZVFWFLSA-N 421.364 3.204 0 40 HGAB Cc1cc(-c2cnc3cc(C)nn3c2[C@H]2CCCN(CC(=O)NC3CCCC3)C2)on1 19124168 GKADJAKGGBBPBY-KRWDZBQOSA-N 422.533 3.239 0 40 HGAB Cc1ccc(O[C@H](C)C(=O)N2CCC[C@@H]([C@@H]3C[C@H](C(F)F)n4ncnc4N3)C2)cc1 19210848 CUVMCDGFEXOEQU-XYVMCAHJSA-N 419.476 3.283 0 40 HGAB Cc1ccc([C@@H]2CCCN2C(=O)CC[C@]2(c3ccccc3)NC(=O)NC2=O)cc1C 19213726 ZZQDSOAPDNHNKI-GBXCKJPGSA-N 405.498 3.482 0 40 HGAB COc1ccc(-c2nnc3n2[C@@H]2CCCC[C@H]2N(C(=O)c2cnc(C)cn2)C3)cc1 19238960 NPWKZCVQLJQFEE-RTBURBONSA-N 404.474 3.192 0 40 HGAB NC(=O)[C@@]1(Cc2cccc(-c3cccnc3)c2)CCCN(C(=O)c2cccnc2)C1 19331427 XRUXTWSHSKZGKN-XMMPIXPASA-N 400.482 3.094 0 40 HGAB Nc1c(C(=O)[C@@H]2CCCN2C(=O)CCCc2ccccn2)cnn1-c1ccc(F)cc1 19401309 GIFWVUDHHYICPL-FQEVSTJZSA-N 421.476 3.185 0 40 HGAB COc1cccc(CC(=O)N[C@@H](C)c2nc3cc(-c4ccc(F)cc4)ncn3n2)c1 19574332 ZOLHPGOSNQLYHP-AWEZNQCLSA-N 405.433 3.359 0 40 HGAB CCc1cc(C(=O)N(C)Cc2nc(C)c3c(n2)N(Cc2ccccc2)C(=O)CC3)on1 19698606 VHYCDQVELAQANI-UHFFFAOYSA-N 419.485 3.087 0 40 HGAB FC(F)(F)c1ccccc1N1CCN(Cc2cnc(N3CCOCC3)s2)CC1 19715689 JVKJHGXYMJHQJZ-UHFFFAOYSA-N 412.481 3.321 0 40 HGAB C[C@H](c1cc(=O)[nH]c(N[C@@H]2CCOc3ccccc32)n1)n1ncc2ccccc2c1=O 19717484 DVTBVCXVVQGGKE-RDTXWAMCSA-N 415.453 3.025 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(F)c(F)c3F)C2)cc1 20016552 CWOKWXIRESFMLU-CYBMUJFWSA-N 412.433 3.452 0 40 HGAB Cc1ccc(C)c2sc(NC(=O)c3ccc(CCNS(C)(=O)=O)s3)nc12 21758942 DFGSZKDBQJEHDB-UHFFFAOYSA-N 409.558 3.319 0 40 HGAB C[C@@H](C(=O)N[C@@H]1CCCc2ccccc21)N1CCN(Cc2ccc3c(c2)OCO3)CC1 22039671 KOYUNFXSWDKDDZ-PGRDOPGGSA-N 421.541 3.115 0 40 HGAB COc1ccc(N2C[C@H](C(=O)Nc3c4c(nn3-c3ccccc3)CCC4)CC2=O)cc1 23056225 SWZUIQVSOQCEFS-MRXNPFEDSA-N 416.481 3.361 0 40 HGAB O=C(c1ccc(OC[C@H]2CCCO2)cc1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 23763379 FISMREXKQZRUKA-HSZRJFAPSA-N 422.525 3.137 0 40 HGAB NC(=O)N[C@H](CC(=O)N1CCC[C@H](C(F)(F)F)C1)c1ccc(Br)cc1 24438676 XYKOGBPKWIGOQG-WCQYABFASA-N 422.245 3.350 0 40 HGAB Cc1cc(=O)c(C(=O)NC[C@@H]2CCN(c3ccccc3)C2)nn1-c1ccc(Cl)cc1 24815544 SHBLDUNPDACGLY-KRWDZBQOSA-N 422.916 3.451 0 40 HGAB CN1CCN(C(=O)c2ccc3c(=O)n4c(nc3c2)CCCCC4)[C@H](c2ccccc2)C1 24838984 DGFUJRHSNXVMCR-QFIPXVFZSA-N 416.525 3.252 0 40 HGAB C[C@@H](Sc1nnc(Nc2cccc(F)c2)s1)C(=O)Nc1ncnc2nc[nH]c12 25054259 SNWKMNTYKNNIJI-MRVPVSSYSA-N 416.467 3.206 0 40 HGAB COc1cccc(-c2nn(Cc3ccccc3)cc2C(=O)NC2CCN(C)CC2)c1 25629912 AGBOOBWIUBIIFT-UHFFFAOYSA-N 404.514 3.431 0 40 HGAB COc1ccc(OC)c(NC(=O)NCCCn2nc(C)c(Br)c2C)c1 27928135 YGSVTMJAURGGLJ-UHFFFAOYSA-N 411.300 3.491 0 40 HGAB CN(C)S(=O)(=O)c1ccc(OCC(=O)Nc2ccccc2Cl)c(Cl)c1 28207919 UOJGMOUDULPGCF-UHFFFAOYSA-N 403.287 3.261 0 40 HGAB CCOC(=O)c1ccc(NC(=O)CS[C@@H](CC(=O)c2ccccc2)C(=O)O)cc1 28294967 ZVBUQAWOEQPKAN-SFHVURJKSA-N 415.467 3.261 0 40 HGAB CCOC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(C[C@H](O)c2ccccc2)CC1 28693628 HSGTZIBYSYCMMA-LEWJYISDSA-N 402.922 3.295 0 40 HGAB COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)COc1cc(C)cc(C)c1 30862068 DBPCFSIBJWTFQX-UHFFFAOYSA-N 406.504 3.016 0 40 HGAB CSCC[C@@H](NC(=O)CN1C(=O)[C@H](C)Oc2ccccc21)c1nc2ccccc2[nH]1 30911588 QJVNAIPJXPXGGH-WMLDXEAASA-N 424.526 3.287 0 40 HGAB O=c1nc2n(Cc3ccc(C(F)(F)F)cc3)cccc-2c(=O)n1Cc1ccccn1 32615356 WPOKWJPJFMSZSS-UHFFFAOYSA-N 412.371 3.020 0 40 HGAB COc1cc(NS(=O)(=O)c2ccccc2F)ccc1NC(=O)c1cccnc1 32833723 HTVZFMGGRBLJNQ-UHFFFAOYSA-N 401.419 3.282 0 40 HGAB COc1cc(-c2noc(-c3ccc(C)cc3)n2)ccc1OCC(=O)NC[C@@H]1CCCO1 33013145 OVJPTGOTUSOTSJ-SFHVURJKSA-N 423.469 3.395 0 40 HGAB COc1ccccc1-c1nc(Cn2nnc(C(=O)Nc3cccc(C)c3)c2N)c(C)o1 33291663 BGVANAOBIRRMTR-UHFFFAOYSA-N 418.457 3.441 0 40 HGAB COCCCn1c(=S)[nH]c(=O)c2c(C(=O)OC)cc(-c3ccccc3F)nc21 36617222 CATJESUYCZBFNM-UHFFFAOYSA-N 403.435 3.083 0 40 HGAB O=C(O)c1cc2c(c(S(=O)(=O)Nc3cccc(NC(=O)C4CC4)c3)c1)CCC2 40156790 HCOYWKATOBBIHG-UHFFFAOYSA-N 400.456 3.023 0 40 HGAB COc1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@@H]2c2ccc(NC(C)=O)cc2)cc1 40486302 MOXGKWJKEBNERW-HXUWFJFHSA-N 418.457 3.173 0 40 HGAB CCOc1ccc(NC(=O)Cn2c(=O)nc(-c3ccco3)c3nc(C)sc32)cc1 41105077 LUBYCOYBQCVZGO-UHFFFAOYSA-N 410.455 3.459 0 40 HGAB CCOc1cccc(CNC(=O)[C@@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)c1 44880164 ROQAQGVTQVYPSW-CQSZACIVSA-N 410.923 3.210 0 40 HGAB C[C@@H](NC(=O)COc1cccc(C(F)(F)F)c1)c1cccc(NS(C)(=O)=O)c1 46703001 KAUREYKJLSIKRF-GFCCVEGCSA-N 416.421 3.333 0 40 HGAB O=C(c1cnc(OCC(F)(F)F)c(Cl)c1)N1CCN(c2ccncc2)CC1 47773831 NXGUYVONUBIETR-UHFFFAOYSA-N 400.788 3.034 0 40 HGAB NC(=O)c1ccc(CNC(=O)c2nn(-c3ccc(F)cc3)c3c2CCCCC3)cc1 48299977 NZRIZKMJRDQNTL-UHFFFAOYSA-N 406.461 3.309 0 40 HGAB C[C@H]1C[C@H](C)CN(Cc2ccc(CNC(=O)c3ccc(S(C)(=O)=O)cc3)cc2)C1 48310881 DWGDDUAHLDNZPL-ROUUACIJSA-N 414.571 3.498 0 40 HGAB Cc1ccccc1-c1noc(-c2cccn(CC(=O)NCc3ccc(F)cc3)c2=O)n1 49002608 YVCCVSYWQRDTGD-UHFFFAOYSA-N 418.428 3.329 0 40 HGAB Cc1ccc(-n2cc(C(=O)N3CCC(NC(=O)c4ccccc4Cl)CC3)nn2)cc1 49406005 WVLGSVHYKJYFSD-UHFFFAOYSA-N 423.904 3.264 0 40 HGAB COc1cccc(C(=O)Cn2c(=O)n(CCc3ccccc3)c(=O)c3sccc32)c1 57486234 JWLOUYZHBZMEAT-UHFFFAOYSA-N 420.490 3.359 0 40 HGAB COc1cc(NC(=O)CN2C(=O)c3ccccc3N[C@@H]2C(C)C)cc(OC)c1OC 62001436 RLARQMGZQYZCOW-NRFANRHFSA-N 413.474 3.201 0 40 HGAB biogenic O=C(CCCn1cccn1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 62580663 CPQFIVNAAMDMOB-UHFFFAOYSA-N 401.820 3.079 0 40 HGAB Cc1ccc(F)cc1-n1ccn(CC(=O)Nc2cc(Cl)cc(Cl)c2)c(=O)c1=O 67320446 JUXSKVOBQDJNHO-UHFFFAOYSA-N 422.243 3.392 0 40 HGAB CSc1nnnn1-c1cccc(NC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)c1 72281255 KDLOMEFXNTXNAF-KRWDZBQOSA-N 414.466 3.129 0 40 HGAB Cn1nc(C2CCN(C(=O)CCSc3ccccc3)CC2)n(-c2ccccc2)c1=O 77146544 QKJZWBHWIYTOCY-UHFFFAOYSA-N 422.554 3.459 0 40 HGAB O=C(Nc1cccc(S(=O)(=O)C(F)F)c1)Nc1ccccc1O[C@@H]1CCOC1 79107030 GKIYZYCTTTYHKI-CYBMUJFWSA-N 412.414 3.495 0 40 HGAB Cc1ccsc1CN(C)C(=O)CN1CCN(Cc2nc3ccccc3s2)CC1 95347391 FDNDYQWVWKZUGS-UHFFFAOYSA-N 414.600 3.442 0 40 HGAB COc1ccc(C(=O)Nc2cccnc2-c2ccccc2)cc1S(=O)(=O)N(C)C 95437873 WOARHTCRFPGOFF-UHFFFAOYSA-N 411.483 3.260 0 40 HGAB CC(C)(C)OC(=O)N(CCCNC(=O)c1ccn(C(F)F)n1)Cc1cccnc1 95462937 SQEDCSVCVZGASI-UHFFFAOYSA-N 409.437 3.230 0 40 HGAB Cc1ccc(-c2nnc(S)n2CC(=O)NC[C@@](C)(O)c2ccccc2Cl)cc1 95943428 WHMLXPBNSXFILC-HXUWFJFHSA-N 416.934 3.220 0 40 HGAB CC(C)c1ccc(S(=O)(=O)N2CCCn3cnc(CN(C)C(C)C)c3C2)cc1 96084626 YXBXNEOWPUNCSK-UHFFFAOYSA-N 404.580 3.441 0 40 HGAB COc1cc2c(cc1OC)CN(C(=O)[C@H]1CCCN1c1nc3ccccc3o1)CC2 96122618 WUMDUHMEWVPRIH-GOSISDBHSA-N 407.470 3.399 0 40 HGAB Cn1nccc1[C@H](CC(=O)O)c1c(O)ccc2c(=O)c(-c3ccc(O)cc3)coc12 96221785 BMBMWYUKUXZGSV-HNNXBMFYSA-N 406.394 3.211 0 40 HGAB biogenic Cc1ccc(Cl)cc1-n1ncc2c(N3CCN(C(=O)c4ccco4)CC3)ncnc21 96346850 HBYXBJNCVISWIF-UHFFFAOYSA-N 422.876 3.333 0 40 HGAB CO[C@@H]1CCN(C(=O)CCc2cccc(F)c2F)[C@@H](CNC(=O)OC(C)(C)C)C1 97081513 KFQGCDMLBNEAOC-HZPDHXFCSA-N 412.477 3.428 0 40 HGAB CCc1onc(C)c1C(=O)NC[C@H]1CC[C@H](c2nnc(-c3cnc(C)cn3)o2)CC1 100156167 SKSQIVXEATXVIE-GASCZTMLSA-N 410.478 3.398 0 40 HGAB O=C(COC(=O)[C@H]1C[C@H]2C=C[C@H]1C2)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 102203718 WNABOSKSCDBPJF-DZKIICNBSA-N 424.419 3.236 0 40 HGAB Cc1cc(C)n2c(S[C@H]3CC(=O)N(c4cccc(Cl)c4C)C3=O)nnc2n1 102242870 YATHSORMBQZWRL-AWEZNQCLSA-N 401.879 3.127 0 40 HGAB C[C@@H](NC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)[C@H]1C[C@@H]2CC[C@@H]1C2 102963104 ZKPMRPACCARHHJ-XLBJILASSA-N 404.576 3.345 0 40 HGAB O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 103026615 DZIILUYRVAYFNN-RYUDHWBXSA-N 405.426 3.202 0 40 HGAB C[C@]12CC=CC[C@@H]1C(=O)N(CCCCCCN1C(=O)[C@H]3CC=CC[C@@]3(C)C1=O)C2=O 103529373 RSMFDXYQFYMTAP-IMWWXNSKSA-N 412.530 3.229 0 40 HGAB Cn1/c(=N\C(=O)COc2ccc3c4c(c(=O)oc3c2)CCC4)sc2ccccc21 104855111 YLAXLUSLOHNWJN-GHVJWSGMSA-N 406.463 3.341 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N2c3ccccc3C[C@H]2C)c(C)c1 222816624 QNFQPMHGZVUJBP-QGZVFWFLSA-N 416.543 3.382 0 40 HGAB Cc1ccc(-c2nnc(NC(=O)CN(c3ccccc3C)S(C)(=O)=O)s2)cc1 223136327 FRFBOJKKMBTLKY-UHFFFAOYSA-N 416.528 3.227 0 40 HGAB Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NCc3ccccn3)cc2)cc1 224423781 BUTOVCXQWZGYQP-UHFFFAOYSA-N 409.511 3.141 0 40 HGAB COc1ccc([C@H](CC(C)C)NC(=O)CN(Cc2ccccc2)S(C)(=O)=O)cc1 224917822 WJQJIHRDAMOAED-NRFANRHFSA-N 418.559 3.360 0 40 HGAB CSc1ccc(S(=O)(=O)NCCOc2ccc(Cl)cc2)cc1NC(C)=O 225113482 WZKMXFAJTAFFCU-UHFFFAOYSA-N 414.936 3.378 0 40 HGAB CC(C)[C@H](C)NC(=O)C1CCN(S(=O)(=O)Cc2c(F)cccc2Cl)CC1 225214455 UQCUEGUBZKGGDX-ZDUSSCGKSA-N 404.935 3.182 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)NC1CCCCCC1 225262105 NXRLLRBXVVOZBZ-UHFFFAOYSA-N 408.564 3.251 0 40 HGAB NC(=O)[C@@]1(c2ccccn2)CCCN(Cc2ccccc2OCc2ccccn2)C1 257212076 CBVGLQQPOMOTKT-DEOSSOPVSA-N 402.498 3.075 0 40 HGAB C[C@]1(O)CCN(C(=O)Cc2cc(Cl)c3c(c2)OCCO3)C[C@@H]1Oc1ccccc1 257224818 FDMYELFYCHQNEF-UGKGYDQZSA-N 417.889 3.085 0 40 HGAB O=C1NCCN(C(=O)CCc2ccccc2F)[C@@H]1Cc1ccc(-c2cccnc2)cc1 257249371 JHYWEKFIYSLLGF-HSZRJFAPSA-N 417.484 3.390 0 40 HGAB CN(C(=O)c1ccncc1)[C@H]1CC[C@@]2(CCO)C[C@H](c3ccccc3)C[C@](C)(O2)[C@@H]1O 257298937 RNZHWPAYJJTGKG-SBSLQGDRSA-N 424.541 3.151 0 40 HGAB Cn1cnc(S(=O)(=O)N2CCC[C@H](c3ncc(Cc4ccc(Cl)cc4)o3)C2)c1 257300995 RWMGBJWZCBHZEY-HNNXBMFYSA-N 420.922 3.221 0 40 HGAB COc1cccc(Cc2cc(C)nc([C@H]3CN(C(=O)c4cnc(C)cn4)CCO3)c2)c1 257313628 UTKDNPRTNDATEN-HSZRJFAPSA-N 418.497 3.302 0 40 HGAB COc1cc(C(=O)N2CCC(N3CCc4ccccc4C3=O)CC2)cc(OC)c1OC 257344787 ZYRBQKQBUIAIQN-UHFFFAOYSA-N 424.497 3.016 0 40 HGAB COCCNC(=S)Nc1nc(Oc2ccccc2)cc(N2CCC[C@H](C)C2)n1 260737579 LZISZISZTZKITG-HNNXBMFYSA-N 401.536 3.438 0 40 HGAB O=C1N(Cc2ccccc2)CCO[C@@]12CN(Cc1ccco1)C[C@H]2c1cccnc1 306142363 WXCGURHISQFEKK-LADGPHEKSA-N 403.482 3.072 0 40 HGAB CCOc1ccc(C(=O)Nc2cccc(C(C)=O)c2)cc1S(=O)(=O)N1CCCC1 408699071 UKRMKBXDNFEMTB-UHFFFAOYSA-N 416.499 3.325 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1cccc(C(C)=O)c1 408700999 PUIGCWAHVUFYGT-UHFFFAOYSA-N 416.499 3.325 0 40 HGAB O=C(CN1C(=O)S/C(=C/c2ccccc2F)C1=O)Nc1ccc2c(c1)OCCO2 409197563 IRXBAFNWOPZNQH-RQZCQDPDSA-N 414.414 3.272 0 40 HGAB COC(=O)CCCc1nnc(NC(=O)N2CCC[C@H](CN3CCC(C)CC3)C2)s1 523576628 VAJKAMMEMYIKFK-MRXNPFEDSA-N 423.583 3.010 0 40 HGAB Cc1cc(C)cc(S(=O)(=O)N2CC3(C[C@@H](OCc4cnccc4C)CCO3)C2)c1 575406662 ZOGOHIKNGUSVST-FQEVSTJZSA-N 416.543 3.146 0 40 HGAB COc1ccc(OC)c(C(=O)N2CCC[C@]3(CCN3Cc3cnc(C)s3)C2)c1 585102101 RPQBOTPIDLSQAN-NRFANRHFSA-N 401.532 3.349 0 40 HGAB CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(OCCO)cc1 599932700 TYZAYSQQIGETEB-UHFFFAOYSA-N 416.293 3.020 0 40 HGAB CC(C)n1c(O)nc2ccc(C(=O)N(C)CCc3nccc(C(F)(F)F)n3)cc21 1653453944 FBCNCRBFSADBHC-UHFFFAOYSA-N 407.396 3.446 0 40 HGAB Cc1cc2c(N3CCCN(c4ccc5nc(C(C)(C)C)cn5n4)CC3)nccn2n1 2298106479 AHGWBARTXIHFBY-UHFFFAOYSA-N 404.522 3.095 0 40 HGAB CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(NC(=O)c3ccccc3)C(=O)[C@H]12 1064212 GLSORGRTUNRMGT-YPHDTHBOSA-N 408.457 3.398 0 40 HGAB O=C(CSc1nnnn1-c1ccccc1)Nc1c(F)c(F)c(F)c(F)c1F 3286227 XUTBKSCFLXWTIS-UHFFFAOYSA-N 401.320 3.089 0 40 HGAB O=C1OCC2=C1[C@H](c1ccc(O)cc1)CC(=O)N2c1ccc(Br)cc1 4519949 NPPPTPACHJIVHE-HNNXBMFYSA-N 400.228 3.486 0 40 HGAB COc1ccc(OC)c(NC(=O)CSc2nnc(-c3cccc(F)c3)n2C)c1 4736281 BZJTUCMPWZONPB-UHFFFAOYSA-N 402.451 3.369 0 40 HGAB CCc1ccccc1N1C[C@H](C(=O)OCC(=O)Nc2ccc(Cl)cc2)CC1=O 5037646 GZGHWOHTXWGCOV-OAHLLOKOSA-N 400.862 3.437 0 40 HGAB CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)/C=C/c1ccc(OC)c(OC)c1 6406394 VPLZRVTYVZDDGD-CSKARUKUSA-N 415.442 3.265 0 40 HGAB Cc1cccc(C(=O)N[C@@H]2C(=O)Nc3c(c(C)nn3C)[C@H]2c2ccc(F)c(F)c2)c1 6779693 HYPOHHKVCYZPIF-MOPGFXCFSA-N 410.424 3.198 0 40 HGAB CCOc1ccc(NC(=O)CN2C[C@@H](C(=O)N3CCCCC3)Oc3ccccc32)cc1 7251925 LXATYUHMHOQLJB-QFIPXVFZSA-N 423.513 3.304 0 40 HGAB COc1ccc2oc(C(=O)O[C@@H](C)C(=O)Nc3sccc3C(N)=O)c(C)c2c1 7258897 SKICBLOPIZPVIS-JTQLQIEISA-N 402.428 3.094 0 40 HGAB CC(=O)c1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1 7683745 MQUUNJMPQHCEDG-SFHVURJKSA-N 406.891 3.334 0 40 HGAB C[C@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)Nc1nc3ccccc3s1)C2=O 7767229 IPNJZXKPBYIOMT-YUNKPMOVSA-N 400.504 3.372 0 40 HGAB O=C(Cc1n[nH]c(=O)c2ccccc12)N1CCC(c2nc3ccccc3s2)CC1 7942431 JDJQKJGHZYQEQG-UHFFFAOYSA-N 404.495 3.482 0 40 HGAB CC(=O)c1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)cc1 8039960 MOGNBOXFAXGURM-HNNXBMFYSA-N 414.845 3.077 0 40 HGAB CCOc1ccc(S(=O)(=O)NCCc2ccc(OC)c(OC)c2)cc1OCC 8050732 QRDFQQJWQRZTIF-UHFFFAOYSA-N 409.504 3.022 0 40 HGAB NC(=O)NC(=O)[C@H](Sc1nnc(-c2ccccc2F)n1C1CC1)c1ccccc1 8156773 NNJPIHBKVMPKME-MRXNPFEDSA-N 411.462 3.447 0 40 HGAB O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(N2CCCC2=O)cc1)c1ccco1 8242761 IHUGZSMRACENCT-FQEVSTJZSA-N 417.465 3.386 0 40 HGAB CCn1c(SCC(=O)Nc2ccccc2N2CCOCC2)nnc1-c1ccco1 8390628 YYLLEPVIYDJIRC-UHFFFAOYSA-N 413.503 3.125 0 40 HGAB C[C@@H](OC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)C(=O)NC1CCCC1 9182627 XCBDORNRGXEFIU-GDBMZVCRSA-N 406.910 3.183 0 40 HGAB COc1ccc(OC)c(NC(=O)C(=O)NC[C@@H](c2cccc3ccccc23)N(C)C)c1 10333455 JOBMVZHNTCAUQV-NRFANRHFSA-N 421.497 3.215 0 40 HGAB CCOC(=O)c1c(NC(=O)CCS(=O)(=O)Cc2ccccc2)sc(C)c1C 10620556 LDXLBDPOOKEFSP-UHFFFAOYSA-N 409.529 3.485 0 40 HGAB CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)Nc1nc2cc3c(cc2s1)OCCO3 11751801 ZXSIFHUQQDITCV-GOSISDBHSA-N 411.483 3.461 0 40 HGAB Cc1cccc(OCC(=O)NCc2ccc(-c3nn4c(C)nnc4s3)cc2)c1C 12345861 LGGMTYXTRDGCQF-UHFFFAOYSA-N 407.499 3.473 0 40 HGAB CCOC(=O)N1CCN(c2nc3sc4c(c3c(=O)n2CC(C)C)CCCC4)CC1 12408827 DISUWVUAAXLSNO-UHFFFAOYSA-N 418.563 3.271 0 40 HGAB COc1ccc(C2=NN(C(=O)CCC(=O)O)[C@H](c3ccc4nccnc4c3)C2)cc1 12420876 FNPSQJCTYUWJFH-FQEVSTJZSA-N 404.426 3.181 0 40 HGAB COc1ccc(NC(=O)CN2CCC(C(=O)c3ccc(F)cc3)CC2)c(OC)c1 12470699 AWCNXOMBXWQJAF-UHFFFAOYSA-N 400.450 3.376 0 40 HGAB COc1ccc([C@H](O)C[C@H]2c3c(cc4c(c3OC)OCO4)CCN2C)c(OC)c1 12660521 YLFOXWHTQSYROJ-DLBZAZTESA-N 401.459 3.094 0 40 HGAB biogenic O=C1CCc2cc(S(=O)(=O)Nc3cc(F)ccc3OCC(F)(F)F)ccc2N1 12740992 VUWAWJYMNDZPGU-UHFFFAOYSA-N 418.368 3.452 0 40 HGAB CC(C)N(C(=O)CN1C(=O)C(=O)c2cc(Br)ccc21)c1ccccc1 12776736 UFMXSMIWHPUZTO-UHFFFAOYSA-N 401.260 3.420 0 40 HGAB COc1ccc(C(=O)Nc2cccc3c2CCCC3)cc1S(=O)(=O)NC1CC1 12801039 IITHYPPRXUMTKE-UHFFFAOYSA-N 400.500 3.267 0 40 HGAB CNC(=O)c1ccc(NC(=O)c2ccc(OCC(=O)N3[C@@H](C)CCC[C@@H]3C)cc2)cc1 12805169 IWNINUDXYWCBFG-IRXDYDNUSA-N 423.513 3.467 0 40 HGAB CC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)OCc2ccc(C(C)C)cc2)cc1 12878082 DJLBHOIETQMGSU-UHFFFAOYSA-N 403.500 3.377 0 40 HGAB COc1cc(C(c2cc(OC)c3c(c2)OCO3)[C@@H]2COC(=O)[C@@H]2C)cc2c1OCO2 13462877 UYKJDDXZIMXQNB-BXUZGUMPSA-N 414.410 3.102 0 40 HGAB biogenic,in-vitro O=C1OC(c2cccc(I)c2)=N/C1=C\c1ccc2c(c1)OCO2 13574937 HXZXIZJVQHZJNB-MLPAPPSSSA-N 419.174 3.364 0 40 HGAB CCc1nn2c(C)c(C(=O)N3CCN(C)CC3)nnc2c1-c1cccc2ccccc12 14607696 HRFYLMRDGSSTHN-UHFFFAOYSA-N 414.513 3.203 0 40 HGAB COc1ccc(NC(C)=O)cc1NC(=O)COC(=O)/C=C/c1cccc2cccnc12 14855301 LVNLTAFYGBHAGW-DHZHZOJOSA-N 419.437 3.397 0 40 HGAB CCOC(=O)c1c(NC(=O)[C@H](C)Sc2nnc(C)c(O)n2)sc2c1CCCC2 17975570 LCWZDRPUTYYENQ-JTQLQIEISA-N 422.532 3.122 0 40 HGAB CC(C)[C@@H](NC(=O)CCc1ccncc1)c1cc(N(C)C)nc(-c2ccncc2)n1 19445687 MDASTBGXQOKHDN-JOCHJYFZSA-N 404.518 3.446 0 40 HGAB COc1ccc(C(=O)N2CCCC[C@H]2c2nc(N(C)C)ncc2-c2ccncc2)cn1 19585257 OPESWYBEKDZPEG-IBGZPJMESA-N 418.501 3.376 0 40 HGAB Cc1ncc(CN2CC[C@@H](c3cc(C(=O)N4CCOCC4)c4ccccc4n3)C2)s1 19761116 IOTUUPVVYCOUEF-QGZVFWFLSA-N 422.554 3.462 0 40 HGAB CC/C(NCCc1c[nH]c2ccccc12)=C1/C(=O)NC(=O)N(Cc2ccccc2)C1=O 20289861 FVSXNJJHJWCHEZ-XUTLUUPISA-N 416.481 3.243 0 40 HGAB CS(=O)(=O)N1C[C@@H](C(=O)Nc2cc(Cl)cc(Cl)c2)Oc2ccccc21 20494610 NZOXXDIBJNQSHI-HNNXBMFYSA-N 401.271 3.159 0 40 HGAB O=C(c1ccc2c(c1)C(=O)N(C1CC1)C2=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 20735124 UXEWOGXOGNVDIM-UHFFFAOYSA-N 424.884 3.222 0 40 HGAB Cc1cccc(NC(=O)CN2CCN(Cc3nnc(-c4ccccc4)o3)CC2)c1C 20807766 WUIIRKNAEZQUAS-UHFFFAOYSA-N 405.502 3.110 0 40 HGAB CC[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)c1ccc(OC)cc1 21837548 DYAVZMGLYYXXHY-FQEVSTJZSA-N 402.516 3.361 0 40 HGAB Cc1cc(S(=O)(=O)Nc2c(C(=O)N3CCOCC3)oc3ccccc23)c(C)s1 21867431 JXAFRUNPQRUIQJ-UHFFFAOYSA-N 420.512 3.384 0 40 HGAB CCOC(=O)c1c(NC(=O)CN2CCN(C)CC2)sc(C)c1-c1ccc(C)cc1 22039105 GVKKVMHBZNJMRU-UHFFFAOYSA-N 415.559 3.395 0 40 HGAB Cc1ccc(C)c(N(CC(=O)NCCCc2ccccc2Cl)S(C)(=O)=O)c1 22328659 BSDWRINZAPFROV-UHFFFAOYSA-N 408.951 3.472 0 40 HGAB COc1cc(OC)c(NC(=O)CN2CCN(Cc3ccsc3)CC2)cc1Cl 22931294 PKUFYAFLWIMKRY-UHFFFAOYSA-N 409.939 3.175 0 40 HGAB CS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCc3c2cnn3Cc2ccccc2)cc1 24932959 CPBHRQLKLGRKQG-HXUWFJFHSA-N 409.511 3.142 0 40 HGAB COC(=O)c1ccccc1N(C)C(=O)CN1CCC[C@H]1c1ccc2c(c1)OCCO2 29597765 CZBYGWGJJIWQTM-SFHVURJKSA-N 410.470 3.044 0 40 HGAB CCCNC(=O)CSc1nc(CN2CCOCC2)nc2sc3c(c12)CCCC3 32670226 SMOICLGSLHSYTP-UHFFFAOYSA-N 420.604 3.021 0 40 HGAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)Cc1ccc(OC)c(OC)c1OC 32768327 XMJGPCOEDNPCHD-AWEZNQCLSA-N 400.475 3.422 0 40 HGAB Cc1nc(NC(=O)COC(=O)c2nn(-c3ccc(F)cc3)c3c2CCC3)sc1C 32883899 FIYJNQWYTMELJK-UHFFFAOYSA-N 414.462 3.369 0 40 HGAB O=C(CSCc1nc2sc3c(c2c(=O)[nH]1)CCC3)Nc1ccc2[nH]ncc2c1 32904874 JOVKFYPTKLOJHA-UHFFFAOYSA-N 411.512 3.222 0 40 HGAB CCc1nc(-c2cc(S(=O)(=O)N(C)Cc3ccc(OC)cc3)ccc2OC)no1 33013365 IDQQLSYZEJDJLQ-UHFFFAOYSA-N 417.487 3.137 0 40 HGAB COc1cccc(-n2c(SCC(=O)NCc3ccco3)nnc2-c2ccccn2)c1 35313037 OGLGEAKJWXNXJK-UHFFFAOYSA-N 421.482 3.339 0 40 HGAB COc1ccc([C@@H]2[C@@H](C(=O)NCc3ccncc3)c3ccccc3C(=O)N2C)cc1 36359303 XOEBUAQPYSGJER-FCHUYYIVSA-N 401.466 3.317 0 40 HGAB Cc1noc(C)c1COc1ccc(C(=O)Nc2cccc(S(N)(=O)=O)c2C)cc1 40155311 TZQJDJUBDTXGLM-UHFFFAOYSA-N 415.471 3.079 0 40 HGAB CC[C@@H](NC(=O)[C@H]1CCN(S(C)(=O)=O)c2ccccc2O1)c1ccc(C)cc1 44935988 JLBXWXWVIAKLMG-YLJYHZDGSA-N 402.516 3.180 0 40 HGAB CCSc1ccccc1NC(=O)[C@@H]1CCN(S(C)(=O)=O)c2ccccc2O1 44938729 SDJXWCBUYMNQMN-KRWDZBQOSA-N 406.529 3.354 0 40 HGAB O=C(Nc1cnc(-c2ccccc2)nc1)[C@H]1CCCCN1S(=O)(=O)c1ccccc1 48252391 HJJOOCFHLMWLKJ-HXUWFJFHSA-N 422.510 3.326 0 40 HGAB COC(=O)C1(c2ccccc2)CCN(C(=O)Cc2ccc(-n3cccn3)cc2)CC1 48287234 CQQUQPLPQPIWMN-UHFFFAOYSA-N 403.482 3.148 0 40 HGAB Cc1ccc(-n2ncc(C(=O)N3CCC[C@@H](c4nncn4C)C3)c2C(F)(F)F)cc1 48299875 NQJVPTYXXGBTHJ-CQSZACIVSA-N 418.423 3.348 0 40 HGAB CCc1ccc(Oc2cc(N3CCC(C(=O)NC[C@@H]4CCCO4)CC3)ncn2)cc1 49401963 UVOABQHDVVOMFA-FQEVSTJZSA-N 410.518 3.343 0 40 HGAB O=S1(=O)CC[C@H](Cc2nc3ccccc3n2C[C@H](O)c2ccc(F)cc2F)C1 51290501 ZXBXRSVDKULKSZ-YJYMSZOUSA-N 406.454 3.025 0 40 HGAB O=C(Cc1ccc(NC(=O)c2ccc(Br)o2)cc1)Nc1c[nH]ccc1=O 52966545 DDRURJIQZJUWAO-UHFFFAOYSA-N 416.231 3.164 0 40 HGAB NC(=O)Cc1ccc(OCC(=O)N2CCc3sccc3[C@H]2c2ccccc2)cc1 58111989 JSDQAGABEYADFR-HSZRJFAPSA-N 406.507 3.329 0 40 HGAB CC1(C)CC[C@H](NC(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)c2ccccc21 60205398 QHWSLVPPJDWHIY-NBGIEHNGSA-N 417.509 3.309 0 40 HGAB CCOC(=O)c1cnn(-c2ccc(SCC(=O)Nc3cccc(C)c3)nn2)c1C 67240372 HVVWSQVJZHARTB-UHFFFAOYSA-N 411.487 3.187 0 40 HGAB Cc1ccc(N2N=C(C(=O)NCc3cccc(C)c3)S(=O)(=O)c3cccnc32)cc1 67245740 MUXQWUJCVNGMCW-UHFFFAOYSA-N 420.494 3.254 0 40 HGAB CCOc1ccc(Nc2ncccc2C(=O)N2CCN(C[C@H]3CCCO3)CC2)cc1 70006553 VAVYQGWLYYLJLG-HXUWFJFHSA-N 410.518 3.161 0 40 HGAB COCCNC(=O)c1cc([C@H]2CCN(C(=O)c3ccccc3)C2)nc2ccccc12 72352651 ODZYMHHWZFJACR-SFHVURJKSA-N 403.482 3.241 0 40 HGAB CCc1nc(-c2cncnc2[C@H]2CCCN(C(=O)CCc3ccc(OC)cc3)C2)no1 72356111 BIMWQSNLQHXXFF-KRWDZBQOSA-N 421.501 3.436 0 40 HGAB Cc1nc2ccc(F)cc2c(=O)n1CCNC(=O)CCCc1c[nH]c2ccccc12 79485253 ZKNSRWNACFZPIX-UHFFFAOYSA-N 406.461 3.464 0 40 HGAB FC(F)(F)c1cc(N2CCC[C@H](n3nccc3C(F)(F)F)C2)n2ncnc2n1 95466016 KFVUULPRYDBFBI-VIFPVBQESA-N 405.306 3.200 0 40 HGAB COCCN1C(=O)c2ccccc2[C@@H](C(=O)Nc2nnc(C)s2)C12CCCCC2 95481569 RSRAQAUSMHFZKB-KRWDZBQOSA-N 414.531 3.374 0 40 HGAB COc1ccc([C@@H]2SCC(=O)Nc3c2c(O)nn3C2CCSCC2)cc1O 96118320 AQQQLILPLRSATO-INIZCTEOSA-N 407.517 3.146 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCC3=C[C@@H]4C[C@@H](CN5CCCC[C@@H]45)[C@@H]32)cc1 169677948 OEHFYGYYYQJAMU-JZZBYWGLSA-N 402.560 3.279 0 40 HGAB CCc1ccc(NC(=O)[C@H](C)N(c2ccc(OC)c(OC)c2)S(C)(=O)=O)cc1 220228687 LBAZWYVUGUAMKV-AWEZNQCLSA-N 406.504 3.059 0 40 HGAB CCOc1ccc(N([C@@H](CC)C(=O)NCCSC(C)(C)C)S(C)(=O)=O)cc1 220670186 VSYNPIWFWGIOOP-KRWDZBQOSA-N 416.609 3.278 0 40 HGAB COC(=O)c1cc(NC(=O)c2cccc(N(C)S(C)(=O)=O)c2C)ccc1Cl 222434437 FMSTULHJSUOHBT-UHFFFAOYSA-N 410.879 3.083 0 40 HGAB COCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)C(C)C 223201509 RKUXHURCLTVJKA-OAQYLSRUSA-N 400.494 3.184 0 40 HGAB CCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(OC)c(OC)c1 223825534 GEIOEMUFKADONT-MRXNPFEDSA-N 416.493 3.329 0 40 HGAB CCN(c1ccc(C(=O)N(C)[C@@H]2CCCC[C@H]2O)cc1)S(=O)(=O)c1ccccc1 224365832 AFYXEGCEFUPRIO-NHCUHLMSSA-N 416.543 3.277 0 40 HGAB CNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)COc1cccc(C)c1 225468809 AIOKBNWNOATHLV-HNNXBMFYSA-N 419.319 3.300 0 40 HGAB COc1ccccc1[C@@H](C)NC(=O)CCCN(c1ccccc1C)S(C)(=O)=O 225561564 JPTRSJFEBHPVOM-QGZVFWFLSA-N 404.532 3.427 0 40 HGAB COc1cccc(CCCNS(=O)(=O)c2ccc(SC)c(NC(C)=O)c2)c1 225644694 NNMRMKPQVOKHJQ-UHFFFAOYSA-N 408.545 3.287 0 40 HGAB COc1ccc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)N[C@@H](C)CCCC(C)C)[C@@H]4C2=O)cc1 229831617 OLAUHODKTOCQBC-MRMMCVKFSA-N 412.530 3.313 0 40 HGAB biogenic COc1ccc(CN2CC[C@@]3(COCc4cnc(NCc5ccccc5)nc43)C2)cn1 247868307 BZOQCHSYIMOUAP-DEOSSOPVSA-N 417.513 3.166 0 40 HGAB CC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3N(C(=O)c1ccnc(C)n1)[C@@H]2Cc1ccccc1 257200814 AEZXHPRUAPSSFY-JAWPICGBSA-N 418.541 3.400 0 40 HGAB CCn1cnc2cc(C(=O)N3CCC[C@H](CC(=O)N(C)Cc4cc(C)on4)C3)ccc21 257235507 GYDUADGINWWPCJ-QGZVFWFLSA-N 423.517 3.254 0 40 HGAB Cc1nccc(C[C@H]2CC[C@@H]3CN(CC(=O)Nc4ccnn4C4CCCC4)C[C@@H]32)n1 257274826 NMULMOINMXWZBI-DBXWQHBBSA-N 408.550 3.236 0 40 HGAB CCc1onc(C)c1-c1cccc([C@H]2CN(C(=O)c3ccc4[nH]nnc4c3)CCO2)n1 257283404 OYDQTDXZTZATNY-HXUWFJFHSA-N 418.457 3.092 0 40 HGAB CCOc1cc(C(=S)NCCN2CCOCC2)ccc1OCc1ccc(F)cc1 408573757 KIIIKMFPQFKVQX-UHFFFAOYSA-N 418.534 3.401 0 40 HGAB COCCn1c(CCc2ccccc2)nnc1SCC(=O)N(C(C)C)C(C)C 409211026 MHRWNRZEJHXBON-UHFFFAOYSA-N 404.580 3.447 0 40 HGAB C1CO[C@H]([C@H]2N(CCOCCN3CC4(CCC4)[C@@H]3[C@@H]3CCCO3)CC23CCC3)C1 562907381 GQIISTRZWIYEDC-MYGLTJDJSA-N 404.595 3.070 0 40 HGAB Cc1cc(O[C@H]2CCCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)C2)nc(C)n1 575607221 AXBDDVXEECSTAD-HNNXBMFYSA-N 415.437 3.344 0 40 HGAB Cc1ccc(F)c(CC(=O)N2CCCN(c3nnc(C(F)(F)F)s3)CC2)c1 622547297 IIRUGNSIXHHFSV-UHFFFAOYSA-N 402.417 3.286 0 40 HGAB COCC(=O)N1CCCCCCCNCc2cc(-c3ccc(C(N)=O)cc3)ccc21 643575221 LHJPNZKZFRORNO-UHFFFAOYSA-N 409.530 3.486 0 40 HGAB Cn1cc(CNC2CCN([C@@H]3CCCC[C@H]3O)CC2)c(-c2cc(F)ccc2F)n1 1650762994 ASENRJGGZFNDNR-NHCUHLMSSA-N 404.505 3.223 0 40 HGAB CC(C)(C)c1cn2nc(OCC3CCN(C(=O)Cc4cccnc4)CC3)ccc2n1 1888888341 WDWOZKVXYAWLRH-UHFFFAOYSA-N 407.518 3.282 0 40 HGAB COc1cc(OC)c([C@H]2SCCN2S(=O)(=O)c2ccc(F)cc2)cc1OC 796499 RCOZRIBJJQRJQM-GOSISDBHSA-N 413.492 3.288 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc(C)c3)CC2)cc1OC 806900 KFLJUADVHWCXKC-UHFFFAOYSA-N 418.515 3.052 0 40 HGAB Cc1ccc2cc([C@@H](c3nnnn3Cc3ccccc3)N3CCCCC3)c(=O)[nH]c2c1 892601 HLNOXVPRRROFAL-QFIPXVFZSA-N 414.513 3.447 0 40 HGAB Cc1ccc(N(CCOC(=O)c2cccnc2)C2=NS(=O)(=O)c3ccccc32)cc1 1461833 MBWYWICXOTXPDB-UHFFFAOYSA-N 421.478 3.203 0 40 HGAB Cc1ccc(NC(=O)COC(=O)[C@H](C(C)C)N2C(=O)c3ccccc3C2=O)c(C)c1 1910813 SBJOBNIGNXSDEV-FQEVSTJZSA-N 408.454 3.106 0 40 HGAB COC[C@@H](C)OC(=O)c1c(N)n(Cc2ccccc2OC)c2nc3ccccc3nc12 2297308 BIGUQOQFURNUBW-CQSZACIVSA-N 420.469 3.415 0 40 HGAB O=C(CSc1nnc(-c2ccc3c(c2)OCO3)n1-c1ccccc1)N1CCCC1 2619304 GDVYFEFULNVWPV-UHFFFAOYSA-N 408.483 3.378 0 40 HGAB CC(=O)Nc1ccc(SCC(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)cc1 3338423 XKFRHBGONQQQLV-UHFFFAOYSA-N 414.455 3.372 0 40 HGAB COc1ccccc1-c1nnc(SCC(=O)Nc2cccc(C(F)(F)F)c2)n1N 3368341 TWFURRYVHKIEFT-UHFFFAOYSA-N 423.420 3.417 0 40 HGAB C[C@]1(C2CC2)NC(=O)N(CC(=O)NCCC(c2ccccc2)c2ccccc2)C1=O 3443927 AAGXCFDEQSRRCK-XMMPIXPASA-N 405.498 3.045 0 40 HGAB CNC(=O)NC(=O)[C@@H](Sc1ncnc2c1cnn2-c1ccccc1)c1ccccc1 3558308 UNNAQKHKWFAGBI-KRWDZBQOSA-N 418.482 3.105 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc3c(c2)CCC3)cc1 3564384 KVYWMHDYRSASEE-UHFFFAOYSA-N 408.545 3.007 0 40 HGAB O=C(CN1C(=O)CN=C(c2ccccc2)c2c1sc1c2CCC1)N1CCCCC1 4169317 VUYOFRNJBVDSTK-UHFFFAOYSA-N 407.539 3.433 0 40 HGAB O=C(O)C12C[C@@H]3C[C@H](C1)CC(n1ncc(NCc4ccco4)c(Cl)c1=O)(C3)C2 4928432 CWSUGFSITARRHX-BRRVFRNMSA-N 403.866 3.482 0 40 HGAB COc1cccc([C@H]2C(C(=O)Nc3cc(OC)ccc3OC)=C(C)Nc3ncnn32)c1 4937640 NQSAGZBKYCYASR-FQEVSTJZSA-N 421.457 3.232 0 40 HGAB COc1cccc(N2C[C@H](NC(=O)Nc3cccc(Br)c3)CC2=O)c1 5189598 KHKOITCTWDPRRH-CQSZACIVSA-N 404.264 3.385 0 40 HGAB Cc1cc(N2CCN(C)CC2)ccc1NC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2 5700205 NABKCIYNRXWARH-UHFFFAOYSA-N 424.589 3.018 0 40 HGAB Cc1ccc(CSc2nnc(NC(=O)CCNC(=O)c3ccco3)s2)cc1 6508600 URLVRMQMSFKKBH-UHFFFAOYSA-N 402.501 3.490 0 40 HGAB CCc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccccc3Cl)CC2=O)cc1 6652964 OAKYLJDCLPBPHA-OAHLLOKOSA-N 400.862 3.437 0 40 HGAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)CN2c3ccccc3CC[C@H]2C)c1 6822451 ODCOQHRSLUGEKD-QGZVFWFLSA-N 415.559 3.497 0 40 HGAB CSc1ccccc1C(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2C)CC1 6969217 JVRRUONNTBFGQS-UHFFFAOYSA-N 404.557 3.172 0 40 HGAB COc1ccc(S(=O)(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)cc1C(C)C 7360671 BYYVYWHUIKSLDM-UHFFFAOYSA-N 412.533 3.015 0 40 HGAB CC(=O)c1cccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3cc(C)ccc3C)C2)c1 8036497 ULQUCEKWQFEDON-SFHVURJKSA-N 408.454 3.041 0 40 HGAB CCOC(=O)Cc1csc(SCc2nc3sc4c(c3c(=O)[nH]2)CCC4)n1 8686404 DEVOXEAJVSWVED-UHFFFAOYSA-N 407.542 3.328 0 40 HGAB CCc1ccc(NC(=O)[C@@H](CCSC)NC2=NS(=O)(=O)c3ccccc32)cc1 8735340 MPHBFKHOYZGSEP-QGZVFWFLSA-N 417.556 3.048 0 40 HGAB C[C@@H](NC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1)c1ccc(-n2cncn2)cc1 8751432 LLQOLCNPHVIGRW-MJGOQNOKSA-N 418.501 3.389 0 40 HGAB COc1cc(C)c(NC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)cc1OC 8966178 VQMWGJOCVIOTCO-UHFFFAOYSA-N 424.544 3.113 0 40 HGAB Cc1cn2c3c(=O)n(Cc4c(Cl)cccc4Cl)c(=O)n(C)c3nc2n1C(C)C 10101486 ROWYTUMJCQLPRQ-UHFFFAOYSA-N 420.300 3.394 0 40 HGAB C[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NCc1cnn(-c2ccccc2)c1 11564804 XDAGGZFGQFTBQM-RNXZQOMOSA-N 406.530 3.210 0 40 HGAB COc1ccc(-c2nc3cnccn3c2NCc2ccc3c(c2)OCO3)cc1CO 12113864 HFVSEWLEELZDDX-UHFFFAOYSA-N 404.426 3.238 0 40 HGAB O=C([C@H]1CN(C(=O)c2ccc(Br)o2)c2ccccc2O1)N1CCCCC1 12599442 QRHPPZCDSXBPJZ-MRXNPFEDSA-N 419.275 3.462 0 40 HGAB O=C(CCNC(=O)c1ccsc1)Nc1ccc(I)cc1 12779862 QYZCWVAQMQGDLD-UHFFFAOYSA-N 400.241 3.111 0 40 HGAB CCCCOc1ccc(S(=O)(=O)NCCCN2CCOCC2)c2ccccc12 12869915 BUVDWJFWFSWPKJ-UHFFFAOYSA-N 406.548 3.019 0 40 HGAB COc1cc(C(C)=O)ccc1OCC(=O)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 12885672 PNXLRQRGDABNTN-GOSISDBHSA-N 410.470 3.154 0 40 HGAB COc1ccccc1NC(=O)Cc1noc(CSCc2ccc(C(=O)O)cc2)n1 12925222 UYBWWQRJSDJAAL-UHFFFAOYSA-N 413.455 3.391 0 40 HGAB Cc1ccccc1CCNC(=O)CCc1c(C)nc2nc(C(F)(F)F)nn2c1C 12981201 HMNQZXITCAVJHE-UHFFFAOYSA-N 405.424 3.360 0 40 HGAB C[C@H](Sc1nnc(-c2ccncc2)n1C1CC1)C(=O)N1CC(=O)Nc2ccccc21 13127130 XJYXKHVRHRFOMW-ZDUSSCGKSA-N 420.498 3.141 0 40 HGAB COC(=O)C1=C(C)N(c2ccc3c(c2)OCO3)C(=O)N[C@@H]1c1c(F)cccc1F 16517558 YIWIQCWJNHBUKE-SFHVURJKSA-N 402.353 3.411 0 40 HGAB Cc1nc(NC(=S)NC(=O)/C=C/c2ccco2)ccc1I 17089449 JTPLEBYIFCZERD-QPJJXVBHSA-N 413.240 3.114 0 40 HGAB CCc1c(C)nc(-n2nc(C)cc2C)n(CC(=O)Nc2c(C)cc(C)cc2C)c1=O 17316969 LGWODXYULVZLJQ-UHFFFAOYSA-N 407.518 3.481 0 40 HGAB COc1cccc(CCC(=O)N2CCC(c3nnc(O)cc3-c3cc(C)no3)CC2)c1 19121196 HSKYFVUJRXAEBP-UHFFFAOYSA-N 422.485 3.493 0 40 HGAB O=C(C1CCCC1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)CN(Cc1ccccc1F)CC2 19349260 CBAVOVHQKUXOBW-OAQYLSRUSA-N 424.520 3.321 0 40 HGAB C[C@H](C(=O)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CN(C2CCCC2)CC3)C1)c1ccccc1 19459045 YYJCLXCWYJGYRM-PKOBYXMFSA-N 420.557 3.190 0 40 HGAB NC(=O)c1ccc(-c2nccnc2[C@H]2CN(Cc3ccccc3Cl)CCO2)cc1 19693205 DQQICTNYALVOJW-LJQANCHMSA-N 408.889 3.469 0 40 HGAB Cc1nn(C)c(C)c1NC(=O)CCN1CCC[C@H](Cc2nc3ccc(F)cc3[nH]2)C1 19716002 GWLAPOYRETUPDP-MRXNPFEDSA-N 412.513 3.336 0 40 HGAB COc1ccc([C@H](C)NC(=O)CN(c2ccc(Cl)cc2C)S(C)(=O)=O)cc1 20485180 KNYXVJPBYPUDON-AWEZNQCLSA-N 410.923 3.300 0 40 HGAB CN(Cc1ccccc1)S(=O)(=O)c1nnc(NC(=O)/C=C/c2ccccc2)s1 20486770 UQKWGWLLFPMMIP-OUKQBFOZSA-N 414.512 3.011 0 40 HGAB CC(=O)NCCc1ccc(C(=O)COC(=O)CCC(=O)c2ccc(Cl)s2)cc1 21507038 OWWNYJNYROGXSR-UHFFFAOYSA-N 421.902 3.469 0 40 HGAB CC(=O)Nc1cccc(NC(=O)CSCc2nc3sc(C)c(C)c3c(=O)[nH]2)c1 22005055 BAMSCFOYZOEQSU-UHFFFAOYSA-N 416.528 3.432 0 40 HGAB c1ccc(-c2noc(CCCN3CCN(Cc4ccc5c(c4)OCO5)CC3)n2)cc1 22774692 QEFHGCAPNIAJFW-UHFFFAOYSA-N 406.486 3.216 0 40 HGAB Cc1noc(C)c1COc1ccccc1C(=O)NCc1ccc(N2CCOCC2)nc1 23076315 UEPAWWKTSAJFCC-UHFFFAOYSA-N 422.485 3.032 0 40 HGAB COC(=O)C(C)(C)NC(=O)c1cc(Cl)cc(Cl)c1I 23176416 KMHQPSACIDGQAB-UHFFFAOYSA-N 416.042 3.279 0 40 HGAB C[C@@H](NC(=O)CCS(=O)(=O)c1ccc2c(c1)OCCO2)c1ccccc1Cl 26679025 ABGXDLSFHPNQFC-CYBMUJFWSA-N 409.891 3.152 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)c2ccc(-n3cccc3)cc2)c1 28835012 SGJIOBNZQOLPHR-UHFFFAOYSA-N 413.499 3.466 0 40 HGAB Cc1ccc(C)c(-c2csc(NC(=O)C3=NN(c4ccccc4)[C@H](C(N)=O)C3)n2)c1 30564857 FCAMNKHVIKMOKU-IBGZPJMESA-N 419.510 3.486 0 40 HGAB C[C@H](NS(=O)(=O)c1cccc(Cl)c1)C(=O)N1CC=C(c2ccccc2)CC1 31108300 ZLSDSPKNCBVDJT-HNNXBMFYSA-N 404.919 3.323 0 40 HGAB Cc1cc(C)n2nc(C(=O)N(Cc3cccs3)c3ccc4c(c3)OCCO4)nc2n1 32480143 ZPEXOLUVHLHGGZ-UHFFFAOYSA-N 421.482 3.421 0 40 HGAB O=C(Cn1cc(-c2nc(-c3ccc(Cl)cc3)no2)ccc1=O)NCc1ccco1 33170507 BTIWOROWUYUOPC-UHFFFAOYSA-N 410.817 3.128 0 40 HGAB Cc1c(-c2ccc(F)cc2)nn2c1N=C(O)C[C@@H]2C(=O)Nc1ccc(C(N)=O)cc1 35685016 WMJMZIUNXGPWGM-MRXNPFEDSA-N 407.405 3.268 0 40 HGAB Cc1ccc2ncc(C(=O)NCc3ccccc3CN3CCC[C@@H](C)C3)c(=O)n2c1 36390704 UTQIJWVVCRVWJV-QGZVFWFLSA-N 404.514 3.165 0 40 HGAB COc1cccc(-c2cc(C(=O)NCCCn3nccc3C)c3c(C)nn(C)c3n2)c1 36615968 MXBVEUFKWPHPHX-UHFFFAOYSA-N 418.501 3.277 0 40 HGAB CC(=O)N1CCCc2cc([C@H](O)CN3CCN(c4ccccc4Cl)CC3)ccc21 36741199 BTPNGLGWRLBTIF-HSZRJFAPSA-N 413.949 3.495 0 40 HGAB O=C(Cn1c(S)nnc1-c1cccs1)NC[C@H](c1ccco1)N1CCCCC1 40040412 IWWIXGFQLWRDKJ-CQSZACIVSA-N 417.560 3.232 0 40 HGAB Cc1ccc2c(CC(=O)NCc3ccc(N4CCCN(C)CC4)nc3)coc2c1C 48290800 LDXHFXOYFSSFDD-UHFFFAOYSA-N 406.530 3.445 0 40 HGAB O=C(NCc1ccnc(OCc2ccccc2)c1)[C@@H]1CCCN(C(=O)N2CCCC2)C1 48303291 PNUYRZNXRNJWLJ-OAQYLSRUSA-N 422.529 3.205 0 40 HGAB COCc1cccc(C(=O)Nc2ccc3oc(=O)n(CC(=O)N4CCCCC4)c3c2)c1 48356015 STYFRGDULKUHKC-UHFFFAOYSA-N 423.469 3.006 0 40 HGAB CCOc1ccccc1CNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 53163170 HNBDZJXBJWYJFZ-UHFFFAOYSA-N 402.516 3.190 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC(c3nc4ccccc4o3)CC2)cc1C(=O)O 53994370 JTENAMHMNNXZMJ-UHFFFAOYSA-N 416.455 3.103 0 40 HGAB Cc1cc(F)ccc1-n1c(=O)c2sccc2n(CC(=O)N(C)c2ccccc2)c1=O 57493450 VQNHNLMZQGABCG-UHFFFAOYSA-N 423.469 3.324 0 40 HGAB Cc1sc2ncn(CCC(=O)N3C[C@H](C)O[C@@H](c4ccccc4)C3)c(=O)c2c1C 58429057 ATNOICPPEDLUII-KBXCAEBGSA-N 411.527 3.454 0 40 HGAB O=C(c1ccccc1)N1CCCCC[C@H]1C1CCN(Cc2nnnn2C2CC2)CC1 70011902 QTHRAPDHBCMOCC-NRFANRHFSA-N 408.550 3.305 0 40 HGAB COc1ccc(CNC(=O)c2cn(-c3cc(-c4nc(C(C)C)no4)ccn3)cn2)cc1 71768490 VGJIDMBZWXEVCA-UHFFFAOYSA-N 418.457 3.379 0 40 HGAB CCNC(=O)[C@@]1(Cc2ccc(-c3cccs3)cc2)CN(C(=O)C(C)C)CCO1 72389252 JDXLOCLRHGFGKY-JOCHJYFZSA-N 400.544 3.347 0 40 HGAB CC(C)CCn1cc(C(=O)NCCCc2nnc3ccccn23)c2ccccc2c1=O 72402903 CHYJAKBQQUYIMH-UHFFFAOYSA-N 417.513 3.453 0 40 HGAB O=S(=O)(Nc1ncc(Cc2cccc(F)c2)s1)c1ccc2c(c1)OCCO2 89775129 PSRXSWXCXLZIQL-UHFFFAOYSA-N 406.460 3.445 0 40 HGAB C[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccccc1)OC(=O)c1cnn2cccnc12 95431870 VERWTPYJSOAYQX-CRAIPNDOSA-N 410.474 3.411 0 40 HGAB Cc1ccc(-n2nc(C(=O)NC3CCN(C(=O)NC(C)(C)C)CC3)c3c2CCC3)cc1 95456485 ROIBXYWBQOGEQB-UHFFFAOYSA-N 423.561 3.372 0 40 HGAB CN1CCN(C(=O)C[C@H]2CC3(CCN(Cc4ccco4)CC3)c3ccccc32)CC1 96052922 QQYAQVRSHMAXRI-FQEVSTJZSA-N 407.558 3.465 0 40 HGAB O=C(c1cc(=O)c2ccccc2o1)N1CCC(S(=O)(=O)c2ccc(F)cc2)CC1 96099447 DWMKVUPCANPWQL-UHFFFAOYSA-N 415.442 3.011 0 40 HGAB COc1ccc(S(=O)(=O)C2CCN(C(=O)c3nc4ccccc4s3)CC2)cc1 96376166 WVADBCWDYWRUIN-UHFFFAOYSA-N 416.524 3.383 0 40 HGAB CCC(C)(C)n1nnnc1[C@@H](c1ccc(C)cc1)N1CCN(Cc2cccnc2)CC1 96901687 BMYPHOZHYPYXHF-JOCHJYFZSA-N 419.577 3.429 0 40 HGAB COCCn1/c(=N/C(=O)c2cc(=O)c3ccccc3o2)sc2cc(OC)ccc21 100873155 VDWBNFPRSLJMOQ-DQRAZIAOSA-N 410.451 3.205 0 40 HGAB C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O 102085714 VWTCBLWPVIYTNJ-MACSQQGQSA-N 405.281 3.374 0 40 HGAB C[C@H](NC(=O)CN1C(=O)N[C@@]2(CCCCc3ccccc32)C1=O)[C@@H]1C[C@H]2CC[C@H]1C2 103449480 NAYNWIWHSDEETK-XVFMNSQXSA-N 409.530 3.101 0 40 HGAB Cc1ccccc1NC(=O)COC(=O)c1ccc(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1 136286424 PXOAQXGMWJZMOH-KDURUIRLSA-N 418.449 3.246 0 40 HGAB CCOC[C@]1(N)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(Br)cc1 218221016 JWRTZKAFAOVYFU-OKZBNKHCSA-N 410.333 3.123 0 40 HGAB CCc1ccccc1NC(=O)[C@H](C)N(c1ccc(OC)c(OC)c1)S(C)(=O)=O 220225594 VXZJRMLZNNMGMF-AWEZNQCLSA-N 406.504 3.059 0 40 HGAB COc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)cc1 223279481 PXHMPDDDKLBOJN-FGZHOGPDSA-N 421.570 3.415 0 40 HGAB Cc1ccc(OCCNC(=O)CN(c2ccc(Cl)cc2C)S(C)(=O)=O)c(C)c1 223677268 LFFYCAXGQPNKFI-UHFFFAOYSA-N 424.950 3.226 0 40 HGAB CCc1ccc([C@@H](C)NC(=O)CCc2cc(S(=O)(=O)N(C)C)ccc2OC)cc1 225613158 ZBSDDNRBZZJDDK-MRXNPFEDSA-N 418.559 3.318 0 40 HGAB COC(=O)c1ccc(C)c(NC(=S)NCc2ccc(CN3CCCC3=O)cc2)c1 225648948 BOFNNZMPMTYSQX-UHFFFAOYSA-N 411.527 3.391 0 40 HGAB COc1ccc(OC)c(-c2cc(C(=O)NCCc3ccc(C(C)=O)s3)n(C)n2)c1 225672292 NBAKOXASJGFRNF-UHFFFAOYSA-N 413.499 3.341 0 40 HGAB CC(C)n1c(=O)sc2cc(S(=O)(=O)NCCSCc3ccco3)ccc21 225706740 HOCKKQDEWRPLRW-UHFFFAOYSA-N 412.558 3.449 0 40 HGAB C[C@H]1CCCN(c2cc(Sc3ncccn3)nc(NC(=S)NC3CC3)n2)C1 226003782 OICSXCOWMBBCGD-LBPRGKRZSA-N 401.565 3.103 0 40 HGAB Cc1cccnc1C(=O)NC[C@H]1C[C@@]2(C)[C@@H](O)CCCC[C@H]2N1C(=O)OC(C)(C)C 257223689 DYNAWOLPJOAKAJ-PRHHBONVSA-N 417.550 3.439 0 40 HGAB COCCN1CC[C@]2(CN(Cc3ccc(C)s3)C[C@H]2c2cn(C(C)C)cn2)C1=O 306128040 GOMYVPNLMNMZHY-SIKLNZKXSA-N 416.591 3.298 0 40 HGAB COC(=O)c1c(NS(=O)(=O)c2ccc(SC)cc2)sc2c1CCN(C)C2 408627348 ZKSAZSLVPMZZSD-UHFFFAOYSA-N 412.558 3.045 0 40 HGAB Cc1ccc(C(=O)N[C@@H](C)c2nnc(SCC(=O)Nc3ccccc3)n2C)cc1 409133775 RTJJGDYRUVOZJO-HNNXBMFYSA-N 409.515 3.345 0 40 HGAB CC(=O)NCCc1ccc(S(=O)(=O)N2CCC[C@H]2Cc2ccccc2C)s1 522280638 XKQQTCQVLKOWRK-SFHVURJKSA-N 406.573 3.131 0 40 HGAB O=C(Cc1ccc2c(c1)CCCO2)N1Cc2cccn2C[C@@H](OCc2ccccn2)C1 575403953 JGOZSPBQMWEZRY-HSZRJFAPSA-N 417.509 3.378 0 40 HGAB Cc1cc(Nc2ncc(C)s2)nc(C2CCN(C(=O)[C@@]3(C)CCCN3)CC2)n1 585263490 MRSCCZATIQAHHD-HXUWFJFHSA-N 400.552 3.142 0 40 HGAB Cc1ccc(OC[C@@]2(O)CCCN(CC(=O)NCc3ccc(F)cc3)CC2)c(C)c1 585272903 KNTJNJORJLGIAA-XMMPIXPASA-N 414.521 3.355 0 40 HGAB Cc1cc(C)nc(Nc2ccc([C@@H]3CCCN(C(=O)/C=C/c4cnc[nH]4)C3)nc2)n1 585291096 KCHNNULMXDWJOO-DBWMJRBXSA-N 403.490 3.375 0 40 HGAB COCCNC(=O)CN1CCCCCCOc2ccccc2Oc2ncccc2C1 643576711 XVBLGUCTLGSMMT-UHFFFAOYSA-N 413.518 3.391 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C)c3ccccc3)CC2)cc1C 813984 UTSMZOYQTNKKOO-QGZVFWFLSA-N 416.543 3.282 0 40 HGAB Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccccc3)N3CCCC3)cc2c1 889011 KKOWKMXWVIYQAT-OAQYLSRUSA-N 400.486 3.057 0 40 HGAB COC(=O)C1=C(N)Oc2cc(C)n(Cc3ccccc3)c(=O)c2[C@@H]1c1ccccc1 1471246 ZZNOEOUCXIXKRZ-IBGZPJMESA-N 402.450 3.073 0 40 HGAB biogenic COc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)cc1Cl 2467707 XFFRYPJOFDPQSR-GFCCVEGCSA-N 414.936 3.450 0 40 HGAB COc1ccccc1-n1cnnc1S[C@H](C)C(=O)Nc1ccc(NC(C)=O)cc1 2726522 NLVOBLQSSBGDLE-CYBMUJFWSA-N 411.487 3.354 0 40 HGAB Cc1cccc2sc(NC(=O)c3ccn(Cn4nnc(-c5ccccc5)n4)n3)nc12 2793619 UADCLMVPPMXOOT-UHFFFAOYSA-N 416.470 3.213 0 40 HGAB C[C@@]12CCC(=O)N1[C@@H](C(=O)OCC(=O)c1ccc3c(c1)-c1ccccc1C3)CS2 3441831 YFMAAIWMVWNIAG-AUSIDOKSSA-N 407.491 3.438 0 40 HGAB COCCOc1ccc(C(F)(F)F)cc1NC(=O)COC(=O)c1c(C)noc1C 3448446 CNRSQRZJDWROTK-UHFFFAOYSA-N 416.352 3.131 0 40 HGAB COc1cccc2c1OC1(CCN(C)CC1)N1N=C(c3ccc4c(c3)OCO4)C[C@H]21 4949953 VMCWRKDALFKBBK-GOSISDBHSA-N 407.470 3.389 0 40 HGAB CCOc1ccc(NC(=O)CS(=O)(=O)Cc2ccc(Br)cc2)cc1 5555373 HTPYKOJWKVZLKR-UHFFFAOYSA-N 412.305 3.401 0 40 HGAB C[C@@H](OC(=O)/C=C/c1ccc(Br)o1)C(=O)Nc1ccc2c(c1)OCO2 6066149 APGGCGAACZTZOF-LJJSCBMDSA-N 408.204 3.354 0 40 HGAB C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)NC3CCCCCCC3)c2)C[C@H](C)O1 6113701 HCLPZACDEOLGSK-IRXDYDNUSA-N 408.564 3.327 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(SCc1nnc(C)o1)n2CC 6465813 NDQYYFZOXWIYIS-UHFFFAOYSA-N 409.537 3.070 0 40 HGAB O=C(NC12CC3CC(CC(C3)C1)C2)C1CCN(S(=O)(=O)c2cccs2)CC1 6509849 NIWBIMYAPFOWER-UHFFFAOYSA-N 408.589 3.234 0 40 HGAB CNC(=O)NC(=O)[C@H](Sc1nnc(C2CC2)n1Cc1ccccc1)c1ccccc1 6532140 JDGJJOTXAQNJRC-GOSISDBHSA-N 421.526 3.493 0 40 HGAB Cc1c(O[C@H](C)C(=O)NCCCn2ccnc2)ccc2c3c(c(=O)oc12)CCCC3 6659751 KXNRZZWQUAATAL-MRXNPFEDSA-N 409.486 3.151 0 40 HGAB Cc1cc(C)cc(O[C@@H](C)C(=O)N(Cc2ccc(C)o2)[C@@H]2CCS(=O)(=O)C2)c1 6810332 NXQCNQQBQSZOFD-ZWKOTPCHSA-N 405.516 3.188 0 40 HGAB CC(=O)OCC(=O)[C@@]1(O)[C@H](C)C[C@@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 6852428 WAFWZVAYLWXGLG-CXAUNQRLSA-N 406.563 3.499 0 40 HGAB CNC(=O)NC(=O)CSc1cc(-c2ccccc2)c2c(OC)cc(OC)cc2n1 7040276 XIVIAFWKJLKLFU-UHFFFAOYSA-N 411.483 3.467 0 40 HGAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CSc1nc(-c2ccccc2F)n[nH]1 7090236 HPSCHAJBURYQFV-GFCCVEGCSA-N 411.462 3.467 0 40 HGAB C[C@H](Nc1ccc2c(c1)CCC2)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 7242328 UUMWVHGTXFPQRP-INIZCTEOSA-N 413.543 3.399 0 40 HGAB COc1ccccc1-n1c(S[C@@H]2CCOC2=O)nc2cc(Cl)ccc2c1=O 7296224 DSRJKTQLEVIVGH-MRXNPFEDSA-N 402.859 3.455 0 40 HGAB COc1cccc(C(=O)Nc2nnc(SCC(=O)NC3CCCCC3)s2)c1 7387893 YUFDYGZCAIBYTJ-UHFFFAOYSA-N 406.533 3.340 0 40 HGAB CS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1ccc(-c2nccs2)cc1 7990749 FNHDDKZFEITYOK-GOSISDBHSA-N 413.524 3.135 0 40 HGAB O=C(NCCCSc1ccccc1)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 8073473 SFARBYUIOWPPMY-INIZCTEOSA-N 412.511 3.109 0 40 HGAB Cc1ccc(S(=O)(=O)NCCC(=O)OCC(=O)c2ccc(Cl)s2)cc1C 8328341 RWIJUCRHXXXYIM-UHFFFAOYSA-N 415.920 3.113 0 40 HGAB Cc1nn2c(=O)[nH]c(SCC(=O)Nc3cccc(F)c3)nc2c1-c1ccccc1 9107448 MZIJTFLHIVULAJ-UHFFFAOYSA-N 409.446 3.263 0 40 HGAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)OCC(=O)Nc1sccc1C(N)=O 9127731 DQUVVVUUTPJJFU-QMMMGPOBSA-N 417.270 3.103 0 40 HGAB Cc1ccc(Cl)cc1NC(=O)CSc1nnc(CNC(=O)c2ccco2)n1C 9190151 RUFNEXKWEOYBAP-UHFFFAOYSA-N 419.894 3.031 0 40 HGAB CN(Cc1nc2ccccc2s1)C(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 9512569 JGSGMISVMYSCCL-CQSZACIVSA-N 423.494 3.079 0 40 HGAB COCCCn1cc(C(=O)N2CCC(C)CC2)c2nn(-c3ccccc3)c(=O)c-2c1 9661669 YIZLIPZWUOZWFF-UHFFFAOYSA-N 408.502 3.047 0 40 HGAB CC[C@@H](CNC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1)c1ccccc1 9806351 OLZHSHNSCWIZLF-KRWDZBQOSA-N 419.522 3.035 0 40 HGAB CCOc1ccc(-c2nnc(O)c3c2[C@H](c2ccccc2F)n2nnnc2N3)cc1 10295875 YBCVPQAVLGYXJI-SFHVURJKSA-N 405.393 3.068 0 40 HGAB Cn1ccnc1[C@@H](NC(=O)C1CCN(C(=O)C(C)(C)C)CC1)c1ccc(F)cc1 10656739 BQECDSWKPMHKPC-SFHVURJKSA-N 400.498 3.050 0 40 HGAB CCOc1ccc([C@H](C)NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 11172357 QEADAVYCFXXRRT-KRWDZBQOSA-N 416.543 3.363 0 40 HGAB Cc1ccccc1N1C(=O)CN(c2ccc(C(C)(C)C)cc2)[C@@H]2CS(=O)(=O)C[C@@H]21 11903802 XAKFXECOXVUNIJ-RTWAWAEBSA-N 412.555 3.311 0 40 HGAB CO[C@H]1CCC[C@H](C(=O)N2CCC[C@H]2Cn2nc(-c3ccc(F)cc3)ccc2=O)C1 12144936 LLOSWUFTIIOPKK-IHPCNDPISA-N 413.493 3.246 0 40 HGAB Cc1cc2ccccc2n2c(=O)n(CC(=O)Nc3ccc4c(c3)OC(C)(C)O4)nc12 12145112 WKYKBZIGJQWVFE-UHFFFAOYSA-N 404.426 3.104 0 40 HGAB COc1ccc([C@@H](O)CN2CCC(NC(C)=O)(c3ccc(F)cc3)CC2)cc1OC 12188410 PELJBRJNSUYFMC-FQEVSTJZSA-N 416.493 3.004 0 40 HGAB COc1ccc(CC(=O)N2CCC[C@H](c3nc4ccccc4cc3C(N)=O)C2)cc1 12255519 QEVSNFYHTZMPLM-SFHVURJKSA-N 403.482 3.291 0 40 HGAB CCOc1ccc([C@H](O)CN2CCC3(CC2)C[C@@H](O)c2ccc(OC)cc2O3)cc1 12329551 KZNDCZVLIGJBAR-FGZHOGPDSA-N 413.514 3.478 0 40 HGAB C/C=C/c1ccc(OCC(=O)N2CCc3c(sc4ncnc(N)c34)C2)c(OC)c1 12555009 WOQJWSUKSUAAKA-ONEGZZNKSA-N 410.499 3.279 0 40 HGAB C[C@H](C(=O)Nc1sccc1C(N)=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 12796324 KWNGISCZCBLWBT-CZUORRHYSA-N 415.515 3.172 0 40 HGAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)CCc2cc(C(C)=O)c(C)o2)c1 12801930 OXUPIDBMSIXOBG-UHFFFAOYSA-N 406.504 3.392 0 40 HGAB COc1ccc([C@@H](CC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)NC(C)=O)cc1 12855529 DMTCZRGOGSLQDL-JOCHJYFZSA-N 423.513 3.140 0 40 HGAB C[C@H](OC(=O)c1cccc(N2CCCS2(=O)=O)c1)C(=O)c1c[nH]c2ccccc12 12891816 NWHKMVUNYOODFR-AWEZNQCLSA-N 412.467 3.136 0 40 HGAB Cc1ccc(NC(=O)CN(C)Cc2nnc(C(=O)Nc3ccc(F)cc3)s2)cc1 12903172 NQQOOOIDKBBRBF-UHFFFAOYSA-N 413.478 3.308 0 40 HGAB COc1ccc(C)cc1NC(=O)CCNS(=O)(=O)c1ccc2c(c1)CCCC2 12999234 HJVIOYLQYNEUMS-UHFFFAOYSA-N 402.516 3.190 0 40 HGAB Cc1nn(-c2ccc(N3CCN(C(=O)c4ccc(Cl)cc4)CC3)nn2)c(C)c1C 13008979 UNMCIOMNUBBFIB-UHFFFAOYSA-N 410.909 3.203 0 40 HGAB Cc1ccc(S(=O)(=O)Nc2ccccc2I)cc1C(=O)O 13348721 OVTKPEOKKVJZNJ-UHFFFAOYSA-N 417.224 3.099 0 40 HGAB CCOc1ccc(N([C@@H](C)C(=O)N2c3ccccc3C[C@@H]2C)S(C)(=O)=O)cc1 13671209 DMOOHHQTAWCVQX-HOTGVXAUSA-N 402.516 3.218 0 40 HGAB CCOc1ccc2nc(NC(=O)CCN3C(=O)[C@@H]4CCCC[C@H]4C3=O)sc2c1 14075198 PGJGORNWUYTYLQ-ZIAGYGMSSA-N 401.488 3.199 0 40 HGAB C[C@@H]1Cc2ccccc2N1C(=O)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 16022730 FATVQRRSDOVVNO-CQSZACIVSA-N 420.481 3.343 0 40 HGAB O=C(NCCCn1nc(C(F)(F)F)cc1C1CC1)[C@H]1[C@@H]2C=C[C@@H](CC2)[C@@H]1C(=O)O 17088829 RGAGQKMRRLTDJO-OQUILHJVSA-N 411.424 3.199 0 40 HGAB Cc1ccc(-c2nnc(S)n2CC(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)cc1 18109806 BUKRZEWSEWVTGH-AWEZNQCLSA-N 410.499 3.191 0 40 HGAB CC(C)N1CCc2c(nc(C3CCN(C(=O)CC4CCCCC4)CC3)[nH]c2=O)C1 19448466 QDGCAODGTIWYNB-UHFFFAOYSA-N 400.567 3.213 0 40 HGAB COCCNc1nc(-c2ccncc2)nc2c1CN(Cc1ccc(OC)cc1)CC2 19593593 FQZNJJZQJMIROI-UHFFFAOYSA-N 405.502 3.164 0 40 HGAB Cc1nc([C@H]2CCCN(C(=O)c3[nH]nc4c3CCCCC4)C2)nc2c1CCCN2C 19707014 MHGKVMZZPUESSK-INIZCTEOSA-N 408.550 3.179 0 40 HGAB O=C(CN1c2ccccc2-c2ccccc2S1(=O)=O)Nc1ccc2c(c1)OCO2 20063023 RRUUHAUHDAMKRX-UHFFFAOYSA-N 408.435 3.230 0 40 HGAB Cc1ccc(Cl)cc1N1CCN([C@@H]2CC(=O)N(c3ccc(F)cc3)C2=O)CC1 20395575 PGWBFONPSPRNLX-LJQANCHMSA-N 401.869 3.242 0 40 HGAB Cc1ccc(CN(c2ccc(OCC(=O)NC3CCCC3)cc2)S(C)(=O)=O)cc1 22231496 WUWLUSTYGNQALR-UHFFFAOYSA-N 416.543 3.399 0 40 HGAB CCc1[nH]c(C(=O)OCC(=O)Nc2ccc(OC)c(Cl)c2)c(C)c1C(=O)OC 22313761 MFBGSEJMGUUCQS-UHFFFAOYSA-N 408.838 3.130 0 40 HGAB COc1cc([C@H](c2sc3ncnn3c2O)N2CCC(C)CC2)cc(OC)c1OC 22609941 YLAKGTZHKRVOOQ-MRXNPFEDSA-N 418.519 3.344 0 40 HGAB Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccco2)N2CCc3ccccc3C2)cc1 22907405 MLVPGILTRBBBJA-NRFANRHFSA-N 403.482 3.442 0 40 HGAB COC(=O)c1ccc2c(O)nc(CN(C)CCOc3ccc(Cl)cc3)nc2c1 23822875 ZFLYWFSSVZSKGG-UHFFFAOYSA-N 401.850 3.286 0 40 HGAB CS(=O)(=O)Nc1cccc(CNC(=O)c2ccccc2C(=O)c2cccs2)c1 25239198 ZNYZYRYOTIZJNN-UHFFFAOYSA-N 414.508 3.281 0 40 HGAB NC(=O)COc1ccccc1C(=O)NCc1ccc(CN2CCc3ccccc32)cc1 27589189 LQWRVZVKRAWXMX-UHFFFAOYSA-N 415.493 3.043 0 40 HGAB CCCC[C@@H](CC)CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 29430932 QDXVBSUTEQGALR-OAHLLOKOSA-N 416.971 3.307 0 40 HGAB CSc1ccc(CNC(=O)Cn2c(O)nc3c(-c4ccccc4)c[nH]c3c2=O)cc1 33038020 ROVKEECRGNWGEN-UHFFFAOYSA-N 420.494 3.136 0 40 HGAB NC(=O)CCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1C[C@H]1CCCO1 40039747 LSMHFIPPXIIRHN-GFCCVEGCSA-N 415.346 3.474 0 40 HGAB COc1ccccc1-c1nc(NC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)n[nH]1 40088567 BSFPODRJBYQOEN-UHFFFAOYSA-N 401.467 3.066 0 40 HGAB CN(C)c1cc(C(=O)N[C@@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)ccn1 40121245 DGVUKUKLLALPJK-KRWDZBQOSA-N 420.435 3.260 0 40 HGAB O=C(CSc1nc(-c2cccs2)nc2ccccc12)N[C@H]1CCCCNC1=O 40122932 BIZHQJQDTUAEOF-HNNXBMFYSA-N 412.540 3.235 0 40 HGAB CCc1nn2c(ncc3c(=O)n(NC(=O)c4ccncc4)ccc32)c1-c1ccccc1 40387917 ROSUJWLBKQTHNF-UHFFFAOYSA-N 410.437 3.053 0 40 HGAB C[C@H](NC(=O)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1)c1ccc(F)cc1 44847553 UVXPMFDZVMXQHY-HNNXBMFYSA-N 422.497 3.384 0 40 HGAB O=C(COC(=O)[C@@H]1COCCO1)Nc1c(Cl)c(Cl)cc(Cl)c1Cl 46313309 PETGDBQEXHNEAT-QMMMGPOBSA-N 403.045 3.197 0 40 HGAB C[C@@H]1CCCN(Cc2ccc(CNC(=O)CCc3nc4ccccc4c(=O)[nH]3)cc2)C1 47109772 DUEMOQOLYZSCKM-GOSISDBHSA-N 418.541 3.404 0 40 HGAB O=C(CN1CCC[C@@H](COCc2ccccc2)C1)N1CCN(c2ccccc2)CC1 56908420 LEYMIFBWOPFBFO-HSZRJFAPSA-N 407.558 3.264 0 40 HGAB CCCN([C@H](C)C(=O)Nc1ccccc1)S(=O)(=O)c1ccc(C(=O)OCC)cc1 58155157 CKWURYGQKZZIMH-MRXNPFEDSA-N 418.515 3.291 0 40 HGAB COc1cc(NC(=O)NC(C)C)c(C(=O)NCCOc2cccc(C)c2)cc1OC 58161707 ADIBHHBQOFAPOJ-UHFFFAOYSA-N 415.490 3.351 0 40 HGAB CC(=O)Nc1cc(-c2ccccc2)nn(CC(=O)Nc2ccc(Cl)cc2C)c1=O 64604837 WHDVAUKHMIJMAE-UHFFFAOYSA-N 410.861 3.469 0 40 HGAB COc1ccc(NC(=O)C2=NN(CC(=O)Nc3cccc(C(C)C)c3)C(=O)CC2)cc1 67336716 CZRSIABICHGYKC-UHFFFAOYSA-N 422.485 3.374 0 40 HGAB COc1cc(NC(=O)Cn2nnc(C(=O)Nc3cccc(C)c3C)c2C)cc(OC)c1 71327282 JJKYGSLZINGBMF-UHFFFAOYSA-N 423.473 3.112 0 40 HGAB Cc1cc(N(C)C)ccc1NC(=O)N1CCC(C(=O)NCC(C)(C)CN(C)C)CC1 72275395 HNNCOSYIKOTCIJ-UHFFFAOYSA-N 417.598 3.009 0 40 HGAB Cc1c(CN2CCC[C@H](c3ncccc3S(C)(=O)=O)C2)cnn1Cc1ccccc1 72394267 ONRKHNQZLBULIG-FQEVSTJZSA-N 424.570 3.418 0 40 HGAB O=C(Nc1cc(Br)ccc1-n1cccn1)[C@@H]1CCCN(C(=O)C2CC2)C1 78719830 BZXXINBVYFEITD-CQSZACIVSA-N 417.307 3.222 0 40 HGAB CC(C)(C)NS(=O)(=O)c1ccc(C(=O)Nc2ccc(Oc3cccnc3)nc2)o1 89661618 ATZJEFYDIJJNNZ-UHFFFAOYSA-N 416.459 3.191 0 40 HGAB NC(=O)c1ccc(/C=C/C(=O)NC[C@@H](Cc2ccc3ccccc3c2)C(=O)O)cc1 95989527 PZJGWMFRMXCLRK-NBILRRPASA-N 402.450 3.012 0 40 HGAB CC(=O)Nc1cccc(C(=O)N2CCCCC[C@@H]2c2noc(-c3cnn(C)c3)n2)c1 96001853 XOTWWOXANSSFBZ-GOSISDBHSA-N 408.462 3.186 0 40 HGAB O=C(NCc1cccs1)[C@H]1CN(C(=O)CCc2ccccc2)CC12CCOCC2 96241161 XEKZDJYEQMCVJE-HXUWFJFHSA-N 412.555 3.252 0 40 HGAB O=C(CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)Nc1nc(-c2ccccc2Cl)cs1 102399806 PZCKNHGITSZSEF-BHWMQLMCSA-N 413.886 3.209 0 40 HGAB CN(c1ccccc1)c1ccccc1NC(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 102791877 UKDYLMDGGYRWCM-WWLNLUSPSA-N 401.466 3.200 0 40 HGAB C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)CCCn2nnc(-c3ccccc3)n2)C1 106759075 QFUNEIXGZALZOI-WIYYLYMNSA-N 404.518 3.072 0 40 HGAB Cc1cc(OC2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)cc(=O)o1 218968320 XZMZWWOTVZNXSC-UHFFFAOYSA-N 417.405 3.199 0 40 HGAB COc1cccc(N([C@H](C)C(=O)NCCSc2ccc(C)cc2)S(C)(=O)=O)c1 220161096 FUWNWQHDUBWDBI-MRXNPFEDSA-N 422.572 3.067 0 40 HGAB CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)N2CCC[C@@H](Cc3nc(C4CC4)no3)C2)C1 220755767 ZRHFTGZLENKVTH-DOTOQJQBSA-N 418.538 3.375 0 40 HGAB CCCCNC(=O)c1ccc(OC)c(CN(c2ccc(F)cc2)S(C)(=O)=O)c1 224754751 XNDLPTJJQLFEFG-UHFFFAOYSA-N 408.495 3.330 0 40 HGAB CCCn1c(=O)sc2cc(S(=O)(=O)NCCc3ccc(OC)cc3)ccc21 225723189 MYIYSLFQMCZPBW-UHFFFAOYSA-N 406.529 3.003 0 40 HGAB CN(c1cccc(NC(=S)NC2(c3ccccn3)CCCC2)c1)S(C)(=O)=O 225858351 WPXVMSKVHOYXFM-UHFFFAOYSA-N 404.561 3.233 0 40 HGAB C[C@]12CC[C@@](O)(CN3CC3)C[C@@H]1CC[C@@H]1[C@H]2CC[C@@]2(C)[C@@H]1CC[C@@]2(O)CN1CC1 257345105 KDZDNXAVYMXPKT-LJESCRJWSA-N 402.623 3.123 0 40 HGAB Cc1cccc(N([C@H](C)C(=O)Nc2nnc(SC(C)C)s2)S(C)(=O)=O)c1 260769780 RFDMWRLRIGARIX-GFCCVEGCSA-N 414.578 3.140 0 40 HGAB Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)N[C@@H](C)C(C)C)Oc3ccc(C)cc32)cc1 260908005 VYHICGBWFIZNGV-LAUBAEHRSA-N 416.543 3.420 0 40 HGAB Cc1cccc(CN2C[C@@H]3[C@@H](C2)c2cc(-c4ccc(F)nc4)ccc2S3(=O)=O)n1 306142566 XDIUEFNZKNEEFT-PZJWPPBQSA-N 409.486 3.346 0 40 HGAB CN1c2ccc(NC(=O)C(C)(C)Oc3ccc(Cl)cc3)cc2N(C)S1(=O)=O 390827702 JGTQCCLUELTFLD-UHFFFAOYSA-N 409.895 3.267 0 40 HGAB CCCNC(=O)COc1ccc(S(=O)(=O)Nc2ccc(OC)c(Cl)c2)cc1 408554967 VYDHABGRVFQEOI-UHFFFAOYSA-N 412.895 3.054 0 40 HGAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N(C)Cc3ccccc3)C2)cc1 408557815 ODOXPJGKRLDAHX-LJQANCHMSA-N 416.543 3.145 0 40 HGAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2cccc(OC)c2)cc1Cl 408610104 UWWAOFYERUPGQI-GFCCVEGCSA-N 412.895 3.053 0 40 HGAB O=C(COC(=O)c1ccc(N2C(=O)CCC2=O)cc1)Nc1ccc(Cl)cc1Cl 408671695 ZYMVXEYMBYTGLB-UHFFFAOYSA-N 421.236 3.442 0 40 HGAB Cc1cccc(C(=O)N[C@H](C)c2nnc(SCC(=O)NC3CCCCC3)n2C)c1 409142272 XMNYMTATKBLZBS-OAHLLOKOSA-N 415.563 3.156 0 40 HGAB CCCCNC(=O)CN1C(=O)S/C(=C\c2ccc(OCC)cc2OCC)C1=O 409216319 HBLQIFMNRFRCIA-BOPFTXTBSA-N 406.504 3.437 0 40 HGAB C[C@H](c1ccccc1)N1C[C@H](C(=O)N2CC[C@H](n3ncc4ccccc43)C2)CC1=O 510912539 MKDVGBOXMUOHRT-UIFIKXQLSA-N 402.498 3.419 0 40 HGAB Cn1ccc(CC(=O)N2CC[C@@H](OCc3cccnc3)[C@H](Cc3ccccc3)C2)n1 585113524 YCTBMXKXRIHRMW-FYYLOGMGSA-N 404.514 3.034 0 40 HGAB Cc1c(NC(=O)NCc2ccc(CN3CCNC3=O)cc2)cnn1-c1ccccc1F 1562525236 BBMPDUCYVDBNEM-UHFFFAOYSA-N 422.464 3.167 0 40 HGAB O=C(NCc1noc([C@@H]2CCC(=O)N2CCc2ccccc2)n1)Nc1ccccc1 1775963734 BALMKZZMMRUDLQ-SFHVURJKSA-N 405.458 3.298 0 40 HGAB biogenic,in-vitro CC(C)(C)c1cn2nc(OC[C@@H]3CCN(c4ncnc5cnccc45)C3)ccc2n1 2087065700 PSJLKIZJBPEXLF-OAHLLOKOSA-N 403.490 3.270 0 40 HGAB CCC(=O)Nc1ccc(NC(=S)NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 881747 BZXYJQZQTVYESK-UHFFFAOYSA-N 417.487 3.188 0 40 HGAB O=C(Nc1ccccn1)C1=C(c2ccccc2)NC(=S)N[C@@H]1c1ccc(O)cc1 956719 GCDLTYOEOXGXSI-HXUWFJFHSA-N 402.479 3.356 0 40 HGAB CNC(=O)NC(=O)CSc1nnc(-c2cccs2)n1-c1ccc(Cl)cc1 1035687 IAWOCTHBWFNNIW-UHFFFAOYSA-N 407.908 3.197 0 40 HGAB COc1ccc(-c2c(=O)n(OCc3c(F)cccc3F)c3ccccc3[n+]2[O-])cc1 1254577 XNYDVMIHLXSIJS-UHFFFAOYSA-N 410.376 3.218 0 40 HGAB CC1(C)Cc2cccc(OCC(=O)Nc3cc(S(C)(=O)=O)ccc3Cl)c2O1 3329312 QDASBAQXYCGFDF-UHFFFAOYSA-N 409.891 3.475 0 40 HGAB C[C@@H]1CCC[C@@H](C)N1C(=O)COC(=O)c1ccc(I)cc1 3341394 OOUKIVONHVLVQW-VXGBXAGGSA-N 401.244 3.238 0 40 HGAB CCc1nc2ccccc2c(C(=O)OCC(=O)NC(=O)NCc2ccccc2)c1C 3474589 RJUBDCVYLNUSOB-UHFFFAOYSA-N 405.454 3.288 0 40 HGAB Cc1ccc(S(=O)(=O)c2cn(C)c3cc(N4CCCC4)c(F)cc3c2=O)cc1 4335267 IAUJIZADAHPIKM-UHFFFAOYSA-N 400.475 3.419 0 40 HGAB CCn1c(CNC(=O)c2ccc(Cl)cc2)nnc1SCC(=O)NC1CCCC1 4735982 SLYUXCBHOVRUKK-UHFFFAOYSA-N 421.954 3.032 0 40 HGAB Cc1nnc(NC(=O)[C@H](C)Sc2nnc(COc3c(C)cccc3C)n2C)s1 4736432 LVZKQEYKOWYZJZ-LBPRGKRZSA-N 418.548 3.290 0 40 HGAB O=C(CSc1nc2ccccc2o1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 5034399 OPTWISHRUGBTMF-UHFFFAOYSA-N 417.512 3.343 0 40 HGAB CCCCCn1c(=O)c2c(nc3n2CCCN3c2ccc(OCC)cc2)n(C)c1=O 5150433 IBSWRAWMHMFWJQ-UHFFFAOYSA-N 411.506 3.027 0 40 HGAB CCOc1ccc(-c2ccc3nnc(SCC(=O)Nc4cc(C)on4)n3n2)cc1 5167780 RPTIDXBFLPNGLU-UHFFFAOYSA-N 410.459 3.217 0 40 HGAB CN(C)S(=O)(=O)c1cccc(C(=O)Nc2ccc(Br)cc2F)c1 6377227 ZVSVVXOHOQBJSE-UHFFFAOYSA-N 401.257 3.091 0 40 HGAB NC(=O)c1ccc(NC(=O)COC(=O)c2ccccc2Nc2ccc(F)cc2)cc1 6509220 WGIGUJFZNUVYHA-UHFFFAOYSA-N 407.401 3.464 0 40 HGAB COc1cc(C(C)=O)ccc1OCC(=O)N1CCN(c2cccc(Cl)c2)CC1 8015185 JFUGVDMCIFSOFB-UHFFFAOYSA-N 402.878 3.279 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)[C@@H]1COc2ccccc2C1 8114557 IHDRNYLJMVHPIN-SFHVURJKSA-N 414.527 3.359 0 40 HGAB O=C(Nc1cccc2cccnc12)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 8190480 VJVUUGKTUYBAJI-OAHLLOKOSA-N 401.513 3.336 0 40 HGAB COc1ccc(-c2noc(CN(C)C(=O)c3ccc(Br)o3)n2)cc1OC 8995562 MXZYUXKBTCLDMZ-UHFFFAOYSA-N 422.235 3.382 0 40 HGAB O=C(CSc1nnc(NC(=O)COc2ccccc2)s1)Nc1ccc(F)cc1 9365714 YFAYOYSVQKFKSU-UHFFFAOYSA-N 418.475 3.426 0 40 HGAB CN(C)S(=O)(=O)c1ccccc1CNC(=O)c1ccc2[nH]c3c(c2c1)CCCC3 9898740 UESLIDDDCHSDDX-UHFFFAOYSA-N 411.527 3.227 0 40 HGAB CCCCNC(=O)c1ccccc1NC(=O)c1ccc(C)c(NS(C)(=O)=O)c1 10362054 HVQVOKDHUCJPGL-UHFFFAOYSA-N 403.504 3.149 0 40 HGAB COc1cc(NC(=O)[C@H](C)OC(=O)c2nc(SC)ncc2Cl)cc(OC)c1 11573256 JRTUMHVJARIIHG-VIFPVBQESA-N 411.867 3.053 0 40 HGAB COc1ccc([C@@H]2CCCN2C(=O)CCn2cnc3c(C)cccc3c2=O)c(OC)c1 11584692 VGAQLSNPYCIXGZ-FQEVSTJZSA-N 421.497 3.476 0 40 HGAB O=C1CCCN1c1ccc(S(=O)(=O)Nc2ccc(OC[C@@H]3CCCO3)cc2)cc1 12143862 BZLGTGXVLSGESJ-IBGZPJMESA-N 416.499 3.172 0 40 HGAB Cc1ncccc1C(=O)N(C[C@@H]1CCCO1)c1nc2c(s1)CCc1c-2cnn1C 12146114 ULRFBSXGGGDMQU-AWEZNQCLSA-N 409.515 3.171 0 40 HGAB CC(C)c1cc(C(F)(F)F)n2nc([C@@H]3CCN(S(=O)(=O)C(C)C)C3)cc2n1 12220434 IPPDWIZPTNFXHW-GFCCVEGCSA-N 404.458 3.399 0 40 HGAB Cc1cc(NC(=O)[C@H](C)SCC(=O)N[C@@H](C)c2ccc(-n3ccnc3)cc2)no1 12547489 QYPDNAMEMJLLNN-GJZGRUSLSA-N 413.503 3.106 0 40 HGAB COc1ccccc1OCCNCc1nc(-c2ccc(-c3ccncn3)cc2)no1 12729324 MBYJUKWBTKXXPB-UHFFFAOYSA-N 403.442 3.371 0 40 HGAB COc1ccc(-c2ccc(=O)n(CCCNC(=O)Nc3ccccc3OC)n2)cc1 13800822 JCCKRTDFAPPQFU-UHFFFAOYSA-N 408.458 3.139 0 40 HGAB O=S(=O)(c1ccc(Cl)cc1C(F)(F)F)N1CCN(Cc2ccco2)CC1 14188290 LWCCNMJZKPPECP-UHFFFAOYSA-N 408.829 3.458 0 40 HGAB CCN(CC)c1ccc(NC(=O)c2ccc(N3C(=O)[C@@H](C)CS3(=O)=O)cc2)cc1 15843007 RXDLPPZSAHSKHX-HNNXBMFYSA-N 415.515 3.098 0 40 HGAB CN(c1ccccc1)S(=O)(=O)c1ccccc1C(=O)NCCOc1ccccc1 16009463 IIOPYAILGIFWCV-UHFFFAOYSA-N 410.495 3.321 0 40 HGAB O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCc2ccccc2C1 17321935 FVYASOZMYAHPSF-UHFFFAOYSA-N 412.555 3.379 0 40 HGAB Cc1nc(-c2ccc(CNC(=O)CCN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)s2)cs1 18212146 GYZWNJJELJPBSY-HUUCEWRRSA-N 415.540 3.138 0 40 HGAB CC(C)(C)C(=O)N1CCC[C@H](c2cc(O)nc(C3CCN(C(=O)C4CC4)CC3)n2)C1 19081208 BBUYTGZTVKWBJK-KRWDZBQOSA-N 414.550 3.050 0 40 HGAB CC(C)N(C(=O)CN1C(=O)COc2ccc(C(=O)c3cccs3)cc21)C(C)C 19447587 RXMBLMFXUVPYNV-UHFFFAOYSA-N 400.500 3.350 0 40 HGAB Cn1cc(C(=O)N2CCO[C@@H](c3ccc(Cc4cccc(Cl)c4)cn3)C2)ccc1=O 19692206 RROKQCIBSKHDKL-OAQYLSRUSA-N 423.900 3.238 0 40 HGAB C/C(=C\c1ccccc1)CN1CCc2nc(N)c(C(=O)NCc3ccccn3)cc2C1 19701038 JCKRBCONCPDBHP-QGOAFFKASA-N 413.525 3.450 0 40 HGAB COCC(=O)N1CCC[C@H](c2nc(C)c3c(n2)N(Cc2ccc(F)cc2)CCC3)C1 19706619 CILASPQDSXMOIR-SFHVURJKSA-N 412.509 3.229 0 40 HGAB COc1ccc(-c2cn3c4ccccc4n(CCN4CCOCC4)c3n2)cc1OC 19973611 CNBYHPUHKKMRON-UHFFFAOYSA-N 406.486 3.305 0 40 HGAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccc(F)c(F)c2)cc1Cl 20016271 YIYOLRANUUHXAV-JTQLQIEISA-N 418.849 3.322 0 40 HGAB Cc1ccc(Cl)cc1NC(=O)[C@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1 20484830 XZLXWVLXJXOPST-MRXNPFEDSA-N 415.298 3.468 0 40 HGAB CCOC(=O)Cc1c(C(=O)OCC)nnc2c(-c3ccc(Cl)cc3)c(CC)nn12 20633802 NRVUWMIJWAMKFR-UHFFFAOYSA-N 416.865 3.289 0 40 HGAB Cc1c(NC(=O)CCc2nc(-c3cccs3)no2)c(=O)n(-c2ccccc2)n1C 21523987 SJJVAKATOZFIBG-UHFFFAOYSA-N 409.471 3.167 0 40 HGAB Cc1ccc(NC(=O)c2ccco2)cc1OCc1cc(=O)n2c(ncn2C(C)C)n1 21525754 GZWLWFLNOKPUBE-UHFFFAOYSA-N 407.430 3.205 0 40 HGAB Cc1cc(C)c(N(CC(=O)NCCSCc2ccco2)S(C)(=O)=O)c(C)c1 22388960 AYOLDGKVOJEEKX-UHFFFAOYSA-N 410.561 3.020 0 40 HGAB O=S(=O)(c1cccc(Br)c1)N1CCN(c2nc3ccccc3o2)CC1 22530546 PNEWQROHOUUPTK-UHFFFAOYSA-N 422.304 3.101 0 40 HGAB O=C(CN1CCN(Cc2nc3ccccc3s2)CC1)NCc1ccccc1Cl 22917575 GVIUPZBDARIRLJ-UHFFFAOYSA-N 414.962 3.384 0 40 HGAB COc1ccc([C@H](c2sc3nc(C)nn3c2O)N2C[C@H](C)O[C@H](C)C2)cc1OC 23157114 HPWZRYPYZLSORA-BWACUDIHSA-N 418.519 3.021 0 40 HGAB CCCCn1c(CN(C)Cc2ccc(F)cc2F)nc2cc(S(N)(=O)=O)ccc21 24960862 IOXUEJVPEZYVFV-UHFFFAOYSA-N 422.501 3.394 0 40 HGAB CCOC(=O)c1cccc(NC(=O)c2ccc(CS(=O)(=O)N3CCCC3)cc2)c1 30754717 FFYZRKJDYYTOCC-UHFFFAOYSA-N 416.499 3.041 0 40 HGAB O=C(Nc1ccc2c(c1)OCO2)C1CCN(Cc2nc(-c3ccccc3)no2)CC1 30955224 KTZAYUJQSNIJKK-UHFFFAOYSA-N 406.442 3.316 0 40 HGAB COc1cc(C)c(Cl)c(C)c1S(=O)(=O)N1CCN(Cc2ccccc2)CC1 33383823 QYKMGUXIMDSTCS-UHFFFAOYSA-N 408.951 3.472 0 40 HGAB COc1ccccc1NC(=O)CN(c1ccc(Cl)cc1Cl)S(C)(=O)=O 33668835 FSGBETONAZMUNG-UHFFFAOYSA-N 403.287 3.407 0 40 HGAB O=C(CN1CCN(C(=O)C2CC2)CC1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 35400162 HHJRJQUIPJMILM-UHFFFAOYSA-N 423.357 3.217 0 40 HGAB CCOc1ccc(S(=O)(=O)N2c3ccccc3[C@@H](C(N)=O)C[C@@H]2C)cc1OCC 37462386 CLYNNKKNOLXJBT-YOEHRIQHSA-N 418.515 3.040 0 40 HGAB CS(=O)(=O)N1CC[C@@H](C(=O)NCCC2=CCCCC2)Oc2ccc(Cl)cc21 38852473 PYUUXGPMWAIKAR-SFHVURJKSA-N 412.939 3.264 0 40 HGAB Cc1cc(C)n(C[C@H](C)CNC(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)n1 40121536 JZPYVZNLUYNQLD-DNVCBOLYSA-N 416.953 3.458 0 40 HGAB COc1ccc(CN(C)C(=O)/C=C/c2ccc(OC)c(OC)c2OC)cc1OC 44886223 PPTMSPMWDXPEGE-FMIVXFBMSA-N 401.459 3.401 0 40 HGAB Cc1ccc(C)c([C@@H](C)NC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)c1 44905933 PPLKFDVHDSMABQ-AUUYWEPGSA-N 422.934 3.361 0 40 HGAB Cc1ccc(-c2nn(C)c(=O)c3c2CCCC3)cc1S(=O)(=O)N1CCCC[C@@H]1C 46027427 JOBMMJFSKMPJKV-INIZCTEOSA-N 415.559 3.198 0 40 HGAB Cc1ccc2nc(C)c(C(=O)NCc3ccc(N4CCCN(C)CC4)nc3)cc2c1 48286501 MLVLNXQZZXKODV-UHFFFAOYSA-N 403.530 3.319 0 40 HGAB Cc1cccc(NC(=O)c2cn(CC(=O)NC3CCCC3)c3nc(C)ccc3c2=O)c1 49002125 VPEUYZQNJXMVEO-UHFFFAOYSA-N 418.497 3.324 0 40 HGAB COc1cc2nc(NC(=O)c3c[nH]c(C(=O)N4CCCC4)c3)sc2cc1OC 51228353 CAXAORZIESQTCN-UHFFFAOYSA-N 400.460 3.130 0 40 HGAB CCn1c(SCC(=O)N2CCOc3ccc(C)cc32)nc2ccsc2c1=O 57425042 TUEJCAGZPWZKDR-UHFFFAOYSA-N 401.513 3.304 0 40 HGAB O=C(C[C@@H](CN1CCN(c2cccc(Cl)c2)CC1)C(=O)O)Nc1ccccc1 71279359 MDLHJZWJEDDMCO-INIZCTEOSA-N 401.894 3.192 0 40 HGAB O=C(NC1CC1)[C@@H]1CCCN(C(=O)[C@H]2CC(c3ccc(Cl)cc3Cl)=NO2)C1 71847834 VRBAYTWDBNRWEL-PIGZYNQJSA-N 410.301 3.004 0 40 HGAB CCCN1CCC2(CC1)OC[C@H](C(=O)O)N2C(=O)c1ccc(Cl)cc1Cl 71980271 LPXIBHGYCWHZNQ-OAHLLOKOSA-N 401.290 3.121 0 40 HGAB COCCN1CCCN(C(=O)c2cc(-c3ccccc3)nc3c2cnn3C(C)C)CC1 72273645 MSPQIWXRJNTRTH-UHFFFAOYSA-N 421.545 3.474 0 40 HGAB C[C@@H](CCc1ccc(F)cc1)Nc1cc(Cn2c(=O)n(C)c3ccccc32)nc(N)n1 72373297 YSWRQCWXRUONNO-HNNXBMFYSA-N 420.492 3.333 0 40 HGAB COC(=O)CCCN1CCN(C(=O)CCCC(=O)c2c(C)cc(C)cc2C)CC1 79022524 GWEOBQUFXUYFHK-UHFFFAOYSA-N 402.535 3.062 0 40 HGAB CCC(CC)(CCO)CNC(=O)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1 89943001 AELSJYQBOZVZPQ-AWEZNQCLSA-N 411.340 3.107 0 40 HGAB Cc1ccccc1CN1CCC(NC(=O)COc2ccc(N3CCCC3=O)cc2)CC1 95360823 MVKAYLFFMNAOJW-UHFFFAOYSA-N 421.541 3.281 0 40 HGAB O=C(CCN1C(=O)[C@H]2CCCC[C@H]2C1=O)N(Cc1ccco1)Cc1cccs1 102967935 DPUBEVDXMPSBJB-HDICACEKSA-N 400.500 3.435 0 40 HGAB Cn1c(SCC(=O)N2CCCCC2)nnc1-c1cc(Br)ccc1O 107904089 GXLYDCGBQUQKQO-UHFFFAOYSA-N 411.325 3.055 0 40 HGAB O=C(Nc1nnc(S(=O)(=O)N[C@H]2CCCc3ccccc32)s1)c1ccccc1 223607229 HPWYGZVBBILLGK-INIZCTEOSA-N 414.512 3.146 0 40 HGAB CC(C)(C)c1ccc(N(CC(=O)NCCc2ccc(F)cc2)S(C)(=O)=O)cc1 224056090 OCBWRUAMBOLEFI-UHFFFAOYSA-N 406.523 3.248 0 40 HGAB CC[C@@H](C(=O)NCCOc1cc(C)cc(C)c1)N(c1ccc(C)cc1)S(C)(=O)=O 224086812 NYYVURJEAVFBOW-NRFANRHFSA-N 418.559 3.352 0 40 HGAB CC[C@H](C(=O)NCCc1ccc(F)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O 224301036 WMCHDLADVUARJV-GOSISDBHSA-N 412.914 3.383 0 40 HGAB O=C(Nc1nnc(S(=O)(=O)NCC2CCCCC2)s1)c1ccccc1Cl 225206256 GDPSDSFKHIRVJM-UHFFFAOYSA-N 414.940 3.302 0 40 HGAB O=C(COc1nn(-c2ccccc2)cc1Br)NCCc1ccccc1 227151410 PIXSVNNLPMZGTP-UHFFFAOYSA-N 400.276 3.373 0 40 HGAB Cc1ccc(-c2cnc3n2C2(CCN(C(=O)c4cnc(C)cn4)CC2)COC3)cc1 306130728 JOCVKMULTWEBFG-UHFFFAOYSA-N 403.486 3.119 0 40 HGAB COc1ccc(CN(C)S(=O)(=O)c2ccc(NC(=O)N3CCCC3)cc2)cc1 408587509 DEXSCBLKYRYUEB-UHFFFAOYSA-N 403.504 3.144 0 40 HGAB Cc1ccc(CNC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccccc2)cc1 408596280 RXIURPVPHUAERY-JOCHJYFZSA-N 408.523 3.201 0 40 HGAB O=C(CCCN1c2cccc3cccc(c23)S1(=O)=O)NCc1ccc2c(c1)OCO2 408702296 AVWTWJSZMGARCT-UHFFFAOYSA-N 424.478 3.174 0 40 HGAB COc1ccc(C(=O)N2CCNC(=O)[C@H]2c2ccc(C(F)(F)F)cc2)cc1OC 535443720 YOMRGBKVESMZJU-QGZVFWFLSA-N 408.376 3.036 0 40 HGAB Cc1c(NC(=O)N2CC(=O)N(C)[C@H]2c2ccccc2)cccc1C(=O)N1CCCC1 554428391 MKDGTNSLKXCXFO-OAQYLSRUSA-N 406.486 3.236 0 40 HGAB COc1ccc(-n2ncc3c(=O)n(CC(=O)Nc4cccc(Cl)c4C)cnc32)cc1 1330773 KAVALKHLIAFAMP-UHFFFAOYSA-N 423.860 3.191 0 40 HGAB COc1ccc(-c2c(N3CCOCC3)oc3cc(N4CCOCC4)c(O)cc23)cc1 1579520 DXFVEGPNAGDVIX-UHFFFAOYSA-N 410.470 3.487 0 40 HGAB CCOC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)c1cc2c(cn1)[nH]c1ccccc12 1607564 ALFWRCXPSNBSKH-HXUWFJFHSA-N 403.438 3.326 0 40 HGAB O=C(Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)[C@H]1CCCC[C@H]1C(=O)O 2550685 QYTZXQYIXFMOCW-ZWKOTPCHSA-N 408.520 3.081 0 40 HGAB O=C(Cc1ccc(F)cc1)Nc1c2c(nn1-c1cccc(Cl)c1)CS(=O)(=O)C2 3008870 YBBOXKKKRPGZQF-UHFFFAOYSA-N 419.865 3.274 0 40 HGAB C[C@H]1CN(C(=O)c2cccc(S(=O)(=O)Nc3ccc(Cl)cc3)c2)C[C@H](C)O1 3313831 IWYQBBQYUDZNLU-KBPBESRZSA-N 408.907 3.390 0 40 HGAB Cc1ccc(NC(=O)CN2C(=O)N[C@](C)(c3ccccc3)C2=O)c(Br)c1 3460609 CVZVKTJIEDSFRS-LJQANCHMSA-N 416.275 3.163 0 40 HGAB CCOc1ccc(NC(=O)CSc2ccc3nnc(-c4ccncc4)n3n2)cc1 4328065 NTNVVBFRZJBRJJ-UHFFFAOYSA-N 406.471 3.316 0 40 HGAB CCc1ccc2c(COC(=O)c3ccc(N4C(=O)CCC4=O)cc3)cc(=O)oc2c1 4351733 PRBZORVXSOTYKC-UHFFFAOYSA-N 405.406 3.366 0 40 HGAB CC(=O)Nc1ccc(S(=O)(=O)NC[C@@H](C)OC23CC4CC(CC(C4)C2)C3)cc1 4623485 NKLWLFZBFVSTSF-RWLLOJOVSA-N 406.548 3.297 0 40 HGAB COc1ccccc1N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2(CO)c2ccccc21 4832674 HDYVRKSBVJNQPV-QQNJPBSNSA-N 411.457 3.238 0 40 HGAB O=C(c1ccco1)N1C(=O)c2cccc3c(S(=O)(=O)N4CCCCC4)ccc1c23 4942528 IGIBPCFWNRFXGI-UHFFFAOYSA-N 410.451 3.408 0 40 HGAB COC(=O)c1ccccc1NC(=O)[C@@H](C)Sc1nc(-c2ccccc2)cc(=O)[nH]1 4999484 NEFGTBISDNWISP-CYBMUJFWSA-N 409.467 3.343 0 40 HGAB O=C(C[C@H]1C(=O)N[C@H]2CCCC[C@@H]2N1C(=O)Nc1ccccc1)Nc1ccccc1 5041205 SATXACBVRWGJOM-UFYCRDLUSA-N 406.486 3.359 0 40 HGAB COc1ccc(CCC(=O)Nc2ccc(Cl)c(N3CCCS3(=O)=O)c2)cc1 5076034 HEQIMBZQMDJSGY-UHFFFAOYSA-N 408.907 3.460 0 40 HGAB CCc1c(-c2ccccc2)n(-c2cccc(F)c2)c2nc3c(c(=O)n(C)c(=O)n3C)n12 5459919 ZGIROYZEZHDEOR-UHFFFAOYSA-N 417.444 3.044 0 40 HGAB CCCCCNC(=O)COc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1 6320339 YJIQUYCFNNZVPZ-UHFFFAOYSA-N 404.532 3.193 0 40 HGAB O=S(=O)(Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1ccc2ccccc2c1 6549677 RLERUSJNHLDZAJ-UHFFFAOYSA-N 416.524 3.425 0 40 HGAB O=C(NCCc1ccccc1)c1ccc2c(c1)CCN2S(=O)(=O)c1ccccc1 6766680 YIYPQXWNQOGDDA-UHFFFAOYSA-N 406.507 3.411 0 40 HGAB Cc1cc(C)c(OCC(=O)N(Cc2ccc(C)o2)[C@@H]2CCS(=O)(=O)C2)c(C)c1 6810314 LXZAMKOMEOXDJC-GOSISDBHSA-N 405.516 3.108 0 40 HGAB Cc1cc(N2C(=O)[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2=O)nn1Cc1ccc(Cl)c(Cl)c1 6922265 ZQSKJYWXOITBTQ-MDBPOYHNSA-N 406.269 3.213 0 40 HGAB CCCCOc1ccc(C(=O)n2ccn(S(=O)(=O)c3ccc(C)cc3)c2=O)cc1 7494553 FKSXRVWEEQJINM-UHFFFAOYSA-N 414.483 3.063 0 40 HGAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)CCN2C(=O)c3ccccc3C2=O)c1 8062571 BEKAHAOEJIRMQY-IBGZPJMESA-N 408.454 3.054 0 40 HGAB CC(=O)c1cccc(NC(=O)CCC(=O)OCC(=O)Nc2ccc(Cl)cc2)c1 8415421 UHBRLLCOGWTGSH-UHFFFAOYSA-N 402.834 3.443 0 40 HGAB COc1ccc(Cl)cc1NC(=O)CN(C)[C@H](C)C(=O)N[C@H](C)c1ccccc1 9053541 SIWHCPCUCBFTGA-HUUCEWRRSA-N 403.910 3.485 0 40 HGAB Cc1ccc(NC(=O)CN2CCC(C(=O)NCc3c(F)cccc3F)CC2)cc1 9069333 RTPFLINWPUZQKD-UHFFFAOYSA-N 401.457 3.240 0 40 HGAB COCCn1c(SCC(=O)NC(=O)c2ccc(Cl)cc2)nc2ccccc21 9073807 GSTXGHOAEAEXTQ-UHFFFAOYSA-N 403.891 3.385 0 40 HGAB CCN1C(=O)S/C(=C/c2cc(I)c(O)c(OC)c2)C1=O 9236565 DAPBMEYWOVYNNE-UXBLZVDNSA-N 405.213 3.062 0 40 HGAB O=C(Cc1csc(NC(=O)c2ccc3c(c2)OCO3)n1)NCCCc1ccccc1 9659269 ILMOWVKATAZQJH-UHFFFAOYSA-N 423.494 3.416 0 40 HGAB CCOc1ccc(CNC(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)cc1 10448648 LBBUGDXFFQVPHR-UHFFFAOYSA-N 404.532 3.291 0 40 HGAB CC(C)NS(=O)(=O)c1cccc(C(=O)OCc2csc(-c3ccccn3)n2)c1 11219320 GIPBPEBVFAREIM-UHFFFAOYSA-N 417.512 3.249 0 40 HGAB CCOC(=O)C1CCN(C(=O)[C@@H](C)Sc2nccn2-c2ccc(OC)cc2)CC1 11395242 OBTFTQWONOJHKR-OAHLLOKOSA-N 417.531 3.163 0 40 HGAB Cc1nc(COc2ccc(C(=O)OCc3cc(=O)oc4c(C)c(O)ccc34)cc2)no1 12074965 ALJIISAZSYUFOB-UHFFFAOYSA-N 422.393 3.434 0 40 HGAB Cn1c(=O)oc2cc(S(=O)(=O)Nc3cccc(CCc4ccccn4)c3)ccc21 12117113 OPBQXNBSOXYICR-UHFFFAOYSA-N 409.467 3.113 0 40 HGAB CC(C)CC(=O)N1C[C@H]2CCCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)[C@H]2C1 12188209 LFEZBXYOCFOBHI-PBHICJAKSA-N 418.481 3.363 0 40 HGAB C[C@H](OC(=O)C[C@@H]1Sc2ccccc2NC1=O)C(=O)N1CCCc2ccccc21 12425269 UMMWHCKZLUUJDW-LIRRHRJNSA-N 410.495 3.401 0 40 HGAB O=C(c1cc2c(nc3sccn32)s1)N1CCC(C(=O)N2CCCCC2)CC1 12540963 RNVRKCRJCPOAQU-UHFFFAOYSA-N 402.545 3.475 0 40 HGAB CCOC(=O)c1c(NC(=O)COc2ccc(F)cc2F)sc(C(=O)OC)c1C 12745676 UVLAKAPTZJPZKZ-UHFFFAOYSA-N 413.398 3.316 0 40 HGAB Cc1ccc(CNC(=O)NCC(=O)N[C@H](C)c2ccccc2Br)cc1 12748747 POCNPKNDCYXZNS-CQSZACIVSA-N 404.308 3.434 0 40 HGAB C[C@@H](C(=O)Nc1cccc(Br)c1)N1CCN(C(=O)c2cccs2)CC1 12860605 QGGCRCHMEKAPJE-ZDUSSCGKSA-N 422.348 3.296 0 40 HGAB C[C@H]1CN(C(=O)c2ccccc2NC(=O)CCc2ccc3c(c2)OCO3)C[C@@H](C)O1 12904836 KLWDENZERPOAMA-IYBDPMFKSA-N 410.470 3.236 0 40 HGAB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)cc1 13002260 UKWVCWMPOJTSCF-IAGOWNOFSA-N 402.516 3.070 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NCC(=O)Nc2cccc(OC)c2)cc1 13058857 SIHXYQBZLOGAHU-MRXNPFEDSA-N 419.547 3.015 0 40 HGAB CCOCCn1/c(=N\C(=O)c2cccc(S(C)(=O)=O)c2)sc2cc(C)ccc21 13286787 AWYHTLNNOSHCRZ-QZQOTICOSA-N 418.540 3.192 0 40 HGAB COc1ccc2c(C)c(CC(=O)NC3CC(C)(C)NC(C)(C)C3)c(=O)oc2c1OC 13572774 QJLCXRSFMITHHF-UHFFFAOYSA-N 416.518 3.087 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)NCCCc1cccc(C)c1 13670976 HJMIUYLELOYKLH-UHFFFAOYSA-N 416.543 3.151 0 40 HGAB CCCCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N=C3Nc4ccccc4N32)cc1 13722615 LNNQHXBCIAQVQY-GOSISDBHSA-N 406.442 3.169 0 40 HGAB Cc1cc(C(=O)CSc2nnc(N3CCOCC3)n2CC(C)C)c(C)n1C1CC1 14020651 KHNKCVRLTBXRNP-UHFFFAOYSA-N 417.579 3.499 0 40 HGAB CCc1cc(=O)oc2cc(O[C@H](C)C(=O)NCc3ccc(OC)c(OC)c3)ccc12 15393260 JTIGTMLUJHNGIF-CQSZACIVSA-N 411.454 3.456 0 40 HGAB COc1ccc(-n2ccn3c(CCC(=O)Nc4cc(C)cc(C)c4)nnc3c2=O)cc1 15736397 KTSXACQGXVCQSU-UHFFFAOYSA-N 417.469 3.077 0 40 HGAB O=C(NC[C@H](c1cccnc1)N1CCc2ccccc2C1)C(=O)Nc1cccc(F)c1 15882587 KCQGRJZDTRBILM-JOCHJYFZSA-N 418.472 3.075 0 40 HGAB COc1ccc(Cl)cc1C(=O)Nc1ccc(-c2ccc(S(C)(=O)=O)nn2)cc1 16955171 KRYDCZBRZWSFJR-UHFFFAOYSA-N 417.874 3.461 0 40 HGAB COc1cn(CC(=O)Nc2ccc(F)cc2)c(CSc2nccc(C)n2)cc1=O 17143972 UZWRTMGSJGTSQN-UHFFFAOYSA-N 414.462 3.025 0 40 HGAB COc1cccc(NC(=O)C[C@@H]2SC(c3cc4ccccc4oc3=O)=NC2=O)c1 18992286 AURAAWFFEYHAHJ-KRWDZBQOSA-N 408.435 3.219 0 40 HGAB Cc1cccc2c(C[C@H](C)NC(=O)CN3C(=O)N[C@]4(CCCC[C@@H]4C)C3=O)c[nH]c12 19236616 BCGALRMSQQEZNK-KXNSMUHISA-N 410.518 3.024 0 40 HGAB O=C(c1ccccn1)N1CCC[C@H]1c1nc(O)c2c(n1)CN(CC1CCCCC1)CC2 19400038 UQOZCSYKHDNDFO-NRFANRHFSA-N 421.545 3.493 0 40 HGAB O=C(N[C@H](Cc1cc(=O)[nH]c(-c2ccccn2)n1)c1ccc(F)cc1)c1cscn1 19402948 JXJDVZDGIXYQPA-QGZVFWFLSA-N 421.457 3.141 0 40 HGAB COc1ccc(CC(=O)N2CCC(c3cc(C(F)(F)F)n4ncnc4n3)CC2)cc1 19554094 SLWGDKJRCBVHOC-UHFFFAOYSA-N 419.407 3.100 0 40 HGAB Cc1ccc(-c2cc(C(=O)Nc3ccc4c(c3)N(S(C)(=O)=O)CCC4)[nH]n2)cc1 19666495 PFLYFJBTLZGRBQ-UHFFFAOYSA-N 410.499 3.350 0 40 HGAB COc1ccc(N2C[C@@H](NC(=O)c3cc4ccc(OC)cc4nc3C)CC2=O)cc1 19715195 RREOZHUNYHATCR-INIZCTEOSA-N 405.454 3.096 0 40 HGAB CCOc1ccc(NC(=O)CSc2nc(O)c(Cc3ccccc3)c(=O)[nH]2)cc1 19814947 AVEPJWGGQLIDMJ-UHFFFAOYSA-N 411.483 3.196 0 40 HGAB CC[C@H](NC(=O)[C@H](C)N(c1ccc(OC)cc1)S(C)(=O)=O)c1ccc(OC)cc1 20457955 MCXDHTOIROCRDI-YWZLYKJASA-N 420.531 3.126 0 40 HGAB COc1ccc(Br)cc1C(=O)CCC(=O)OCC(=O)N[C@@H](C)C(C)C 20834156 VLBAGDLMASDVNF-LBPRGKRZSA-N 414.296 3.125 0 40 HGAB CCCCOc1ccc(C(=O)NCC(=O)O[C@@H](C)C(=O)N(C(C)C)C(C)C)cc1 21602730 OPEZMCAGBNCMBT-KRWDZBQOSA-N 406.523 3.172 0 40 HGAB CCOc1cc([C@@H]2c3c(-c4cc(C)ccc4O)n[nH]c3C(=O)N2CCCO)ccc1O 21782746 HAKMRKVNXCDSOX-JOCHJYFZSA-N 423.469 3.123 0 40 HGAB CCOc1ccccc1CNC(=O)CCn1cnc2c([nH]c3ccc(F)cc32)c1=O 23125666 SYRXXZUZRPCYPR-UHFFFAOYSA-N 408.433 3.122 0 40 HGAB O=C(NCc1ccccc1CN1CCOCC1)c1ccc(NC(=O)c2ccco2)cc1 23872981 GADVCZUKCWFNJP-UHFFFAOYSA-N 419.481 3.294 0 40 HGAB CCSc1ccccc1NC(=O)c1ccc(CS(=O)(=O)N2CCOCC2)cc1 30758441 RZNLZBYMASLZNC-UHFFFAOYSA-N 420.556 3.213 0 40 HGAB Cc1nc(-c2cccc(Cl)c2)sc1C(=O)OCCn1nc2ccccn2c1=O 30788115 LNVPLDHPAGIMNL-UHFFFAOYSA-N 414.874 3.438 0 40 HGAB CN1CCN(c2ccc(NC(=O)c3ccc(Cl)c(N4CCCC4=O)c3)cc2)CC1 32744827 AGKLJVLHPVJBQN-UHFFFAOYSA-N 412.921 3.471 0 40 HGAB COc1ccc(OC[C@@H](O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 32907323 HRGDLWODGXJKPQ-KBPBESRZSA-N 400.500 3.031 0 40 HGAB CN(Cc1ccccc1C(F)(F)F)C(=O)c1ccc(CCNS(C)(=O)=O)cc1 32908356 PGXVGFRZLSVMQK-UHFFFAOYSA-N 414.449 3.069 0 40 HGAB CCN1CCN(Cc2ccccc2CNC(=O)/C=C/c2cc(OC)ccc2OC)CC1 32915638 OCTSQGOPUDESMO-FMIVXFBMSA-N 423.557 3.171 0 40 HGAB COc1ccc(S(=O)(=O)Nc2c(N3CCCC3)c3ccccc3oc2=O)cc1 35070487 IHHFIQAOLFCOPO-UHFFFAOYSA-N 400.456 3.203 0 40 HGAB COc1ccc(N([C@H](C)C(=O)N[C@H](C)c2ccc(C)cc2C)S(C)(=O)=O)cc1 36067608 AURDZEPFQXJYTQ-IAGOWNOFSA-N 404.532 3.344 0 40 HGAB C[C@H]1CN(C(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccc(Cl)cc2)C[C@@H](C)O1 36674139 SZCCXEXIHXCIBJ-GQIGUUNPSA-N 400.906 3.317 0 40 HGAB COc1ccc(-n2nnc(C(=O)NCc3ccccc3F)c2-c2cccnc2)cc1 38487700 SDYGAJFTVWIHSS-UHFFFAOYSA-N 403.417 3.407 0 40 HGAB COc1cccc(-c2noc(CN3C(=O)COc4ccc(Cl)cc43)n2)c1OC 38651639 XXVPOOGYHZCUGW-UHFFFAOYSA-N 401.806 3.333 0 40 HGAB COC(=O)c1cccc(CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)c1 39583845 CHNZDSRGKZTPNZ-UHFFFAOYSA-N 400.434 3.469 0 40 HGAB COc1cc(C(=O)N[C@H](C)C(=O)N[C@@H](C)c2cc(C)sc2C)cc(OC)c1OC 40074222 CDGRZRZXKZVESJ-QWHCGFSZSA-N 420.531 3.386 0 40 HGAB C[C@H](NC(=O)COc1cccc(C(F)(F)F)c1)c1cccc(NS(C)(=O)=O)c1 46702999 KAUREYKJLSIKRF-LBPRGKRZSA-N 416.421 3.333 0 40 HGAB C[C@@H](NC(=O)Cc1ccc(OC(F)(F)F)cc1)c1ccc(S(C)(=O)=O)cc1 48332968 ZWUSAFABLVRZKQ-GFCCVEGCSA-N 401.406 3.409 0 40 HGAB O=C(NC[C@@H](c1ccco1)N1CCN(c2ccccc2)CC1)c1ccc2c(c1)OCO2 56945368 SGWHUZWHGSYWOY-FQEVSTJZSA-N 419.481 3.302 0 40 HGAB CCCCn1c(=O)[nH]c2cc(-c3nc(-c4cc(OC)cc(OC)c4)no3)ccc2c1=O 57510641 MXRRLWDNEXCNMG-UHFFFAOYSA-N 422.441 3.224 0 40 HGAB O=C1N[C@@H](CCc2ccccc2)C(=O)N1C[C@H](O)COc1cccc2ccccc12 58007648 NSRVXZHCCWQKOX-FPOVZHCZSA-N 404.466 3.133 0 40 HGAB O=S(=O)(N[C@@H]1CCCC[C@H]1N1CCN(c2ccccc2F)CC1)c1ccccc1 58085813 DOPYBUKPRYMXNB-IFMALSPDSA-N 417.550 3.237 0 40 HGAB COc1ccc(C)cc1NC(=O)Cn1cc(-c2ccccc2)c(N2CCOCC2)n1 62006877 GLZNRMKEKAIWCO-UHFFFAOYSA-N 406.486 3.342 0 40 HGAB O=C(c1cc(C2CC2)n[nH]1)N1CCC(c2nc(-c3ccc4c(c3)OCO4)no2)CC1 67206051 VQMWKHXRSKZNRL-UHFFFAOYSA-N 407.430 3.086 0 40 HGAB CO[C@H]1CCC[C@H](C(=O)N[C@H](Cc2c[nH]c3ccccc23)c2cc(=O)[nH]c(C)n2)C1 72341463 WMHKQPFECQSXQT-RIFZZMRRSA-N 408.502 3.165 0 40 HGAB CCCN1CCN(C(=O)c2cnccn2)[C@H](Cc2ccccc2-c2ccccc2)C1=O 72351599 XYHTVHVSWKWJCK-HSZRJFAPSA-N 414.509 3.449 0 40 HGAB Cc1cccc(Nc2cccc([C@@H]3CCCN3C(=O)Cn3c(C)cc(C)nc3=O)n2)n1 72375461 GTLCIDNZBIWZET-IBGZPJMESA-N 418.501 3.066 0 40 HGAB O=C(Cn1cc(-c2nc(-c3cccs3)no2)ccc1=O)c1ccc2c(c1)OCO2 77199964 SELHJSRMNOJISD-UHFFFAOYSA-N 407.407 3.238 0 40 HGAB CN(C)CCOc1ccccc1N1CCN(C(=O)c2cccc3c2ccn3C)CC1 78825167 WEYFMSALMXELEH-UHFFFAOYSA-N 406.530 3.081 0 40 HGAB C[C@@H](NC(=O)c1ccccc1NS(=O)(=O)c1cnc(Cl)n1C)c1ccccc1 79106662 FARUQAPCXFILQK-CYBMUJFWSA-N 418.906 3.365 0 40 HGAB CC[C@H](CO)N1CCN(C(=O)c2cccc3c(=O)c(C)c(-c4ccccc4)oc23)CC1 95430239 DKSGFADTKPJACG-LJQANCHMSA-N 420.509 3.297 0 40 HGAB CN1C(=O)C[C@H](NC(=O)c2ccc(NC(=O)C3CC3)cc2)[C@H]1c1ccc(Cl)cc1 95454078 SPSFQRACDIQXGA-AZUAARDMSA-N 411.889 3.390 0 40 HGAB CCCS(=O)(=O)N1CCC2(CC1)C[C@@H](CC(=O)NCC(C)C)c1ccccc1O2 96243346 SEENLVMJPVFTFK-GOSISDBHSA-N 422.591 3.289 0 40 HGAB Cn1nc(NC(=O)/C=C/c2ccc3c(c2)OCO3)c2c1NC(=O)C[C@@H]2c1cccs1 97604837 SVJQZRZPNCCOHY-VUDGCMKMSA-N 422.466 3.336 0 40 HGAB COCc1nn2c(O)cc(C[C@@H](C)n3nc(C)nc3C)nc2c1-c1ccc(OC)cc1 100776492 ACNYKZRMGDDDOE-CYBMUJFWSA-N 422.489 3.269 0 40 HGAB Cc1nn(-c2nc3ccccc3o2)c(O)c1[C@H]1CC(=O)N(Cc2ccccc2)C1=O 101983840 HGJCWWROXOWBDR-OAHLLOKOSA-N 402.410 3.070 0 40 HGAB O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)NCCOc1ccccc1 105410151 BBXWFMKDEMIHMH-UHFFFAOYSA-N 410.495 3.077 0 40 HGAB C[C@@H](Oc1cccc2ccccc12)C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21 219037067 RPCIWHBOVSATPT-MRXNPFEDSA-N 424.522 3.447 0 40 HGAB COC(=O)c1cn(C(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)c2ccccc12 222581243 ZORZUVHEZABABN-UHFFFAOYSA-N 420.874 3.188 0 40 HGAB COc1ccccc1CNC(=O)c1cn2c3c(cc(Br)cc3c1=O)CC2 223102021 AVZSVBBMBKTQPJ-UHFFFAOYSA-N 413.271 3.259 0 40 HGAB COc1ccc2cc(S(=O)(=O)NCc3cc(OC)c(OC)c(OC)c3)ccc2c1 223870269 XWVFGRLYAXNRHM-UHFFFAOYSA-N 417.483 3.353 0 40 HGAB CS(=O)(=O)Nc1ccc(C(=O)NCc2cccc(CN3CCCC3)c2)c(Cl)c1 224623083 XWQRRUZFLRYBEU-UHFFFAOYSA-N 421.950 3.237 0 40 HGAB CC(C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCc1ccc2c(c1)OCO2 224671616 GWZBXYGFLVUOMN-MRXNPFEDSA-N 414.477 3.429 0 40 HGAB O=C(COc1cccc2c1CCCC2)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 224866826 VSSDMVCTDLOVPE-SFHVURJKSA-N 408.498 3.492 0 40 HGAB Cc1nn(-c2ccccn2)c(C)c1CCNC(=O)c1cncc(Br)c1 225581419 QMVVZGOABCSRPY-UHFFFAOYSA-N 400.280 3.014 0 40 HGAB Cc1cc(F)ccc1S(=O)(=O)N1CC[C@H](Oc2cc(C(F)(F)F)ccn2)C1 225737370 ZYKQVUSALILMFQ-AWEZNQCLSA-N 404.385 3.390 0 40 HGAB COc1ccc(Cl)cc1NC(=O)CN(Cc1ccccc1Cl)S(C)(=O)=O 225811882 MFIHSSIRKKMGLY-UHFFFAOYSA-N 417.314 3.402 0 40 HGAB COCCNC(=S)Nc1nc(N2CCCCCC2)cc(N2C[C@@H](C)C[C@H](C)C2)n1 225898735 AFDJPBFFMZICCK-IRXDYDNUSA-N 420.627 3.272 0 40 HGAB COc1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cc(C)ccc2C)C1 225922488 YDRGVZAPGOMGPP-QGZVFWFLSA-N 402.516 3.351 0 40 HGAB COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC(C(=O)NCC(C)(C)C)CC1 226048271 WUOIEZNZILOSLM-UHFFFAOYSA-N 410.580 3.382 0 40 HGAB COc1cccc(CN(CC(=O)O)C(=O)Cn2c(C(F)(F)F)nc3ccccc32)c1 257225137 FFAFMNPMBDNNMD-UHFFFAOYSA-N 421.375 3.177 0 40 HGAB COc1cccc(N([C@@H](C)C(=O)N[C@H](C)c2ccc(C)cc2C)S(C)(=O)=O)c1 260588486 KBBVPYUFKBIKNO-SJORKVTESA-N 404.532 3.344 0 40 HGAB COc1ccc2c(c1C)CC[C@H]([C@@]1(O)C(=O)Nc3ccc(Br)cc31)C2=O 408569394 WJXVAEMABCWXGZ-XOBRGWDASA-N 416.271 3.351 0 40 HGAB O=C(COC(=O)c1cccc(N2C(=O)CCC2=O)c1)Nc1ccc(Cl)cc1Cl 408663666 QEUSMYWSYQOYBQ-UHFFFAOYSA-N 421.236 3.442 0 40 HGAB CC(C)Oc1ccccc1CNC(=O)C(=O)Nc1ccccc1C(=O)NC1CCCC1 408709593 URYNIVDBXOJENI-UHFFFAOYSA-N 423.513 3.401 0 40 HGAB COC(=O)C(=Cc1cc(Cl)ccc1OS(=O)(=O)c1ccc(C)cc1)C(=O)OC 409064788 FNHSDLYYPDIIMJ-UHFFFAOYSA-N 424.858 3.146 0 40 HGAB CN(C)C(=O)N1Cc2ccccc2C2(CCN(C(=O)Cc3cccc(F)c3)CC2)C1 585105741 UBFWYFWMHCZALK-UHFFFAOYSA-N 409.505 3.426 0 40 HGAB CC(C)N1CCC(N2CC[C@@H](c3c(C(=O)N(C)C)sc4nccnc34)C2)CC1 1615154667 GZTIZXZOXOBCKC-OAHLLOKOSA-N 401.580 3.055 0 40 HGAB FC(F)(F)c1cnc(N2CCN(c3ccc(-n4cccn4)nn3)CC2)c(Cl)c1 1889151741 OMRRDEAZUKDTOZ-UHFFFAOYSA-N 409.803 3.056 0 40 HGAB COc1ccccc1CN1C[C@H]2[C@@H](C1)OCCCCc1ccccc1OCC(=O)N2C 2037985445 KGJMJJGRSCUMCM-XUZZJYLKSA-N 424.541 3.138 0 40 HGAB CC(C)c1nnc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)s1 1379309 ACRREPJHPBUSOL-CYBMUJFWSA-N 414.940 3.107 0 40 HGAB CCOC(=O)c1[nH]c(Cc2[nH]c(C)c(C(=O)OCC)c2C)c(C(=O)OCC)c1C 1729624 CAZUSSXUXQVUKY-UHFFFAOYSA-N 404.463 3.389 0 40 HGAB COc1ccc(N2C3=[N+](CCOC3)C[C@]2(O)c2ccc(-c3ccccc3)cc2)cc1 1779546 UAJOZKOGEGOUJI-VWLOTQADSA-N 401.486 3.469 0 40 HGAB CCN(CC)CCCNC(=O)c1nc2c3c4c(sc3nc(C)n2n1)CC[C@@H](C)C4 2214588 GZWGKUUWTLCKSB-CYBMUJFWSA-N 414.579 3.234 0 40 HGAB CCOC(=O)c1c(NC(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)sc(C)c1C 3410270 DHPGBRLITVCXGU-UHFFFAOYSA-N 419.894 3.487 0 40 HGAB Cc1ccc(-n2c(SCC(=O)N3C[C@@H](C)O[C@H](C)C3)nc3ccccc3c2=O)cc1 3530485 OKTHXGLWISMXRX-IAGOWNOFSA-N 423.538 3.422 0 40 HGAB COc1ccc(C)cc1NC(=O)CN1C(=O)N[C@@](C)(c2ccccc2Cl)C1=O 3593644 YFNPBNVGSNOQBF-FQEVSTJZSA-N 401.850 3.063 0 40 HGAB CC(=O)Nc1ccc(S(=O)(=O)N(Cc2nc(-c3ccccc3)no2)C(C)C)cc1 4943914 ZJRAWQHHSVKXNV-UHFFFAOYSA-N 414.487 3.294 0 40 HGAB COc1ccc([C@H]2c3c(n[nH]c3-c3cc(Cl)c(C)cc3O)C(=O)N2CCO)cc1 5342464 OTDYWNCELKEMRM-FQEVSTJZSA-N 413.861 3.290 0 40 HGAB O=C(NC1CCCCC1)O[C@@H]1CO[C@@H]2[C@@H](Nc3nccc(-c4ccccc4)n3)CO[C@H]12 6137823 NWHODRPJGYUOEX-DOIPELPJSA-N 424.501 3.149 0 40 HGAB biogenic,in-vitro CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)OCC(=O)c2ccc[nH]2)cc1 6496919 RZSPPAKYAAGJIA-UHFFFAOYSA-N 412.467 3.270 0 40 HGAB CCOC(=O)C1=C(N)Oc2c(c(=O)[nH]c3ccccc23)[C@@H]1c1ccc(OCC)cc1 7343695 LIKMHJLCFVPPNX-KRWDZBQOSA-N 406.438 3.185 0 40 HGAB O=C(c1ccccc1)c1ccc(NC(=O)[C@H]2CCCO2)c(NC(=O)[C@H]2CCCO2)c1 8189536 KDZBHXJCPRSRRW-WOJBJXKFSA-N 408.454 3.153 0 40 HGAB CN(Cc1ccsc1)C(=O)CN1C(=O)N[C@@](C)(c2cccc3ccccc23)C1=O 8327724 BPAGMANHOHWYLM-QFIPXVFZSA-N 407.495 3.327 0 40 HGAB NS(=O)(=O)c1ccc(CNC(=O)c2ccc3noc(-c4ccccc4)c3c2)cc1 9341634 JJFSSNTZLOEPPQ-UHFFFAOYSA-N 407.451 3.072 0 40 HGAB CCc1nc2ccccc2n1CC(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 9378471 JCEUYDRLKQMRKX-UHFFFAOYSA-N 403.486 3.105 0 40 HGAB CC(C)c1ccc(NC(=O)CC[C@@H]2NC(=O)N(Cc3ccc4c(c3)OCO4)C2=O)cc1 9575887 HLEPDHBXGHKVDX-SFHVURJKSA-N 423.469 3.378 0 40 HGAB COc1ccccc1C(=O)Nc1nc(-c2nnn(-c3ccccc3F)c2C)ns1 9638885 GNDGXUWSWCMOKH-UHFFFAOYSA-N 410.434 3.494 0 40 HGAB COc1ccc(-c2csc(NC(=O)c3ccc(S(C)(=O)=O)cc3)n2)c(OC)c1 9712775 VZPVZPYXOLVOQE-UHFFFAOYSA-N 418.496 3.483 0 40 HGAB CC(=O)C[C@@]1(O)C(=O)N(CCOc2ccccc2)c2ccc(Br)cc21 9872901 PGYQMAGIWWNBBQ-IBGZPJMESA-N 404.260 3.041 0 40 HGAB COc1cccc2c(C)nc(Nc3nc(CSc4ccccn4)cc(=O)[nH]3)nc12 9939049 GXDRDGCVINGJMA-UHFFFAOYSA-N 406.471 3.461 0 40 HGAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)COc1ccc(Br)cc1 10218859 ABARETOFYZKPEB-UHFFFAOYSA-N 424.247 3.270 0 40 HGAB CO[C@@H]1CCC[C@@H](C(=O)N2CCC[C@H]2Cn2nc(-c3ccc(F)cc3)ccc2=O)C1 12144933 LLOSWUFTIIOPKK-YZGWKJHDSA-N 413.493 3.246 0 40 HGAB CCn1c(N2CCC[C@@H](C(=O)NCc3nc4ccccc4[nH]3)C2)nc2ccccc21 12145841 RHTVGCOMCXTNLU-MRXNPFEDSA-N 402.502 3.465 0 40 HGAB COc1ccc(CC(=O)N2CCC(c3ccnc4nc(C(F)(F)F)nn34)CC2)cc1 12158927 LQKCQSKYZZUTLT-UHFFFAOYSA-N 419.407 3.100 0 40 HGAB CC(C)[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)NCc1cccs1 12686900 URKMKXVMHJDSBM-OAHLLOKOSA-N 420.478 3.386 0 40 HGAB COc1ccccc1C(=O)Nc1cccc(OCc2cc(=O)n3oc(C)cc3n2)c1 13368500 YNSDEVUJUVYLAP-UHFFFAOYSA-N 405.410 3.436 0 40 HGAB O=C(NCc1cccnc1)c1ccc2c(c1)CCCN2S(=O)(=O)c1ccccc1 13583463 NYLDPZWZJLMQFS-UHFFFAOYSA-N 407.495 3.153 0 40 HGAB CC[C@H](C(=O)NCCSc1ccccc1)N(c1ccc(C)cc1)S(C)(=O)=O 13713224 GGKQRMUHONUVNV-LJQANCHMSA-N 406.573 3.448 0 40 HGAB C[C@H]1CN(S(=O)(=O)c2cccc(-c3cn4cc(Cl)ccc4n3)c2)C[C@@H](C)O1 13777435 DJAGVTKPIZTOFG-OKILXGFUSA-N 405.907 3.453 0 40 HGAB C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)Nc3ccccc3Cl)c2)C[C@@H](C)O1 14067175 ATNDMNBSNRJTBR-OKILXGFUSA-N 408.907 3.390 0 40 HGAB O=C(Cn1cnc2c(cnn2-c2ccccc2)c1=O)c1ccc(Br)s1 16048306 JUNLUIWVKMDCBL-UHFFFAOYSA-N 415.272 3.289 0 40 HGAB CN(C)C(=O)C1(Cc2ccccc2-c2ccncc2)CCN(C(=O)c2cc[nH]n2)CC1 19700213 YWQOPRXHNJVZQJ-UHFFFAOYSA-N 417.513 3.025 0 40 HGAB O=C(Cc1ccccc1)N1CCC(CC(=O)N2CCC[C@H](CN3CCCC3)C2)CC1 19748221 ORYRLVLRUPOCHP-HSZRJFAPSA-N 411.590 3.192 0 40 HGAB COc1c(Cl)cc(C(=O)O)cc1NC(=S)NC(=O)COc1cccc(C)c1 20153676 KHKZVNNASYCORD-UHFFFAOYSA-N 408.863 3.247 0 40 HGAB CCOC(=O)[C@@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@H]1c1cccc(C)c1 20802198 LNJHTZZPPZWEHD-PMACEKPBSA-N 407.470 3.106 0 40 HGAB Cc1ccc2c(CN3CCN(S(=O)(=O)/C=C/c4ccccc4)CC3)cc(=O)oc2c1 21849509 LGNBOCWUWJWZQI-NTEUORMPSA-N 424.522 3.220 0 40 HGAB CC(C)CCNC(=O)C1CCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)CC1 24992206 ZZPAVNJXRNHOJG-UHFFFAOYSA-N 422.469 3.148 0 40 HGAB CCCOc1ccc(/C=c2/sc3nc([C@H]4COc5ccccc5O4)nn3c2=O)cc1 26532193 SFQZSZNBLFCVKA-LSCADSNKSA-N 421.478 3.000 0 40 HGAB Cc1cc(N2CCN([C@H](C)C(=O)NCc3ccccc3Cl)CC2)nc(C(C)C)n1 27545801 NDSHPVLXKVMCDH-QGZVFWFLSA-N 415.969 3.389 0 40 HGAB Cc1cccc(Cn2nccc2NC(=O)COc2ccc(N3CCCC3=O)cc2)c1 30526966 VALANFVZPNVHEX-UHFFFAOYSA-N 404.470 3.384 0 40 HGAB O=C(Nc1nc2c(s1)CCCC2)[C@H]1CCCCN1S(=O)(=O)c1ccccc1 31303613 XBGMYEXXABNQKM-MRXNPFEDSA-N 405.545 3.204 0 40 HGAB CSCC[C@H](NC(=O)c1ccco1)C(=O)NC[C@H](c1ccco1)N1CCCCC1 31553103 KRMZBVNPBVAZAI-DLBZAZTESA-N 419.547 3.068 0 40 HGAB Cc1ccc2c(c1)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@@H]2[C@H]2CCCN21 34880551 VLLJMMUWEYSLRX-GBPOLFSSSA-N 421.884 3.080 0 40 HGAB O=C(CSc1nnc2c(n1)[nH]c1ccccc12)Nc1ccc(C(=O)NC2CC2)cc1 35291718 UAFBKVUQSWMNRK-UHFFFAOYSA-N 418.482 3.129 0 40 HGAB O=C(CN1CCN(C(=O)c2cc3cc(Cl)ccc3o2)CC1)N1CCCCCC1 35344027 DJUACQPMUDEBLR-UHFFFAOYSA-N 403.910 3.247 0 40 HGAB COC(=O)[C@@H](c1ccccc1Cl)N1CCN(C(=O)c2ccc(F)c(F)c2)CC1 36391783 MNWHPVJBXHRGCH-GOSISDBHSA-N 408.832 3.290 0 40 HGAB COc1ccc(N2C(=O)C[C@@H](Nc3ccccc3Br)C2=O)c(OC)c1 36635661 NRHDCVSHYSWUHE-CQSZACIVSA-N 405.248 3.210 0 40 HGAB O=C(NCc1cccnc1OCC(F)(F)F)c1cccc(Nc2ncccn2)c1 40081421 MNXHUVCSVSBTEN-UHFFFAOYSA-N 403.364 3.486 0 40 HGAB COc1cc([C@@H](C)NC(=O)CN2C(=O)c3ccccc3C2=O)ccc1OCC(C)C 40087663 JOAPISVNCDLELQ-OAHLLOKOSA-N 410.470 3.203 0 40 HGAB CC(C)[C@H](CNC(=O)c1cc(Br)ccc1Cl)N1CCN(C)CC1 40092503 ZOYHVESNGDHZNA-INIZCTEOSA-N 402.764 3.104 0 40 HGAB C[C@H]1CCCCN1CCCCNC(=O)c1cccc(S(=O)(=O)NC2CCCC2)c1 40112645 GSEOVEAFEVUOJH-SFHVURJKSA-N 421.607 3.292 0 40 HGAB NC(=O)COc1ccc([C@@H]2CC(O)=Nc3c(C(=O)O)cn(-c4ccc(F)cc4)c32)cc1 40286468 BVYLIHISNXVONY-INIZCTEOSA-N 423.400 3.302 0 40 HGAB COc1ccccc1-c1nnc2sc(NC(=O)COc3ccc(C)c(C)c3)nn12 41076535 XJGVQVLSXSDTHR-UHFFFAOYSA-N 409.471 3.496 0 40 HGAB Cc1ccc(CSc2ncc(Cl)c(C(=O)NCCC(=O)N3CCCC3)n2)cc1 41157480 UTFNXTNGODSFKQ-UHFFFAOYSA-N 418.950 3.473 0 40 HGAB COc1cc([C@H](C)NC(=O)N(C)Cc2ccc3c(c2)OCCO3)cc(OC)c1OC 46627362 GKDZHWFAKJFCTE-AWEZNQCLSA-N 416.474 3.386 0 40 HGAB C[C@@H](CNC(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1)Cn1cccn1 48301208 IZAFKCHUNFJLJF-HNNXBMFYSA-N 422.451 3.207 0 40 HGAB CCn1c(=O)c(C(=O)Nc2cc(OC)c(OC)c(OC)c2)c(O)c2sccc21 49409522 STJSIFDNANJJSF-UHFFFAOYSA-N 404.444 3.067 0 40 HGAB Cc1cc(NC(=O)CN2CSCC2=O)n(-c2cc(C(F)(F)F)ccc2Cl)n1 58582587 MVYXGBYQGLVRAE-UHFFFAOYSA-N 418.828 3.324 0 40 HGAB CC(C)Cc1nc(CN2CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)CC2)no1 58919083 AKCFVSGJWUCCNL-UHFFFAOYSA-N 420.579 3.072 0 40 HGAB CCOc1ccc(C(=O)N(CCOC)Cc2nnc(-c3cccs3)o2)cc1OC 60390791 FLVXFTHHCGQQDL-UHFFFAOYSA-N 417.487 3.494 0 40 HGAB CCOC(=O)c1csc(NC(=O)c2ccc3c(c2)C(=O)N(CCC(C)C)C3=O)n1 61722048 YHTYWVCHGZIAJA-UHFFFAOYSA-N 415.471 3.214 0 40 HGAB CCc1ccccc1NC(=O)Cn1nnc(C(=O)Nc2cc(OC)ccc2OC)c1C 71327000 WDRJWSLJNGPEST-UHFFFAOYSA-N 423.473 3.057 0 40 HGAB CN1C(=O)c2ccccc2C(=O)[C@@]2(C)CN(C(=O)CCc3cccc(Cl)c3)C[C@@H]12 72395824 QUBVYWQHNKUIAI-XXBNENTESA-N 410.901 3.458 0 40 HGAB CN(C)C(=O)COc1cccc(CNc2ccnc(C(=O)NCc3ccccc3)c2)c1 79002369 IKXYGKAGJXWRHU-UHFFFAOYSA-N 418.497 3.091 0 40 HGAB CNS(=O)(=O)c1ccc(Nc2nc(C(F)(F)F)nc3cc(F)ccc23)cc1 95948798 NDJGVSSBGVHORU-UHFFFAOYSA-N 400.357 3.439 0 40 HGAB CCOC(=O)c1c(C)[nH]c(C(=O)N[C@@H](CO)c2cccc(Br)c2)c1C 95983350 XCENHFVXEANFLE-AWEZNQCLSA-N 409.280 3.034 0 40 HGAB COC(=O)C[C@@H](c1ccc(OCc2nccn2C)cc1)c1c(O)ccc2nsnc12 96232220 WOPUPWDRZUJBIM-HNNXBMFYSA-N 424.482 3.404 0 40 HGAB Cn1ncc2c(NCc3ccccc3CN3CCN(c4ccccc4)CC3)ncnc21 96524736 JCYHQRSZXJVJAO-UHFFFAOYSA-N 413.529 3.298 0 40 HGAB CCOC(=O)c1ccc(N2C(=O)C[C@@H](SCc3nc4ccccc4[nH]3)C2=O)cc1 100161815 ZWYMZYZDIWHUOJ-QGZVFWFLSA-N 409.467 3.305 0 40 HGAB O=C(Cc1ccc2c(c1)CCCO2)N1[C@H]2CC[C@H]1CC(O)(c1ccc3c(c1)OCO3)C2 100773914 TXZMEJAPMOPNMO-PMACEKPBSA-N 421.493 3.324 0 40 HGAB C[C@H]1C[C@@H](C)CN2c3ccccc3C[C@]3(C(=O)NC(=O)N(c4ccccc4)C3=O)[C@H]12 103406103 ICFQVZKELAHHIM-WQYJIASKSA-N 403.482 3.363 0 40 HGAB CCOC(=O)C1(C(=O)OCC)[C@H](c2ccc(C)cc2)[C@@H]1S(=O)(=O)c1ccccc1 218333213 XEHTXIXENUYGDE-MOPGFXCFSA-N 416.495 3.047 0 40 HGAB COc1cccc(N([C@@H](C)C(=O)NCCSc2ccc(C)cc2)S(C)(=O)=O)c1 220161019 FUWNWQHDUBWDBI-INIZCTEOSA-N 422.572 3.067 0 40 HGAB CCOC(=O)c1ccccc1NC(=O)[C@H](CC)N(c1ccccc1F)S(C)(=O)=O 220587165 OKFAQOUSARAXTA-KRWDZBQOSA-N 422.478 3.186 0 40 HGAB CCOc1ccc(N([C@H](CC)C(=O)NCc2cccc(C)c2)S(C)(=O)=O)cc1 220677823 JRLLISCATFUQMW-HXUWFJFHSA-N 404.532 3.255 0 40 HGAB Cc1cccc(CNC(=O)COc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)c1 222752666 MYDSXAJQYPWCFF-UHFFFAOYSA-N 416.543 3.111 0 40 HGAB CCc1ccc(O[C@H](CC)C(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)cc1 222890866 PXQSONHPJYYTNC-OAQYLSRUSA-N 416.543 3.246 0 40 HGAB CSc1nnc(NC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)s1 223292886 IBWFMNKQVWPTRO-UHFFFAOYSA-N 412.543 3.375 0 40 HGAB COc1ccc(S(=O)(=O)N(C)c2ccc(Cl)c(C(=O)N3CCCC3)c2)cc1 224348938 WPLITIJOQAWZPS-UHFFFAOYSA-N 408.907 3.410 0 40 HGAB CS(=O)(=O)N(CC(=O)Nc1ccc(N2CCCC2)cc1)c1ccccc1Cl 224904143 DMFWZARJUAAHHJ-UHFFFAOYSA-N 407.923 3.345 0 40 HGAB FC(F)(F)c1cc(Sc2ncccn2)nc(NC(=S)NCc2cccnc2)n1 225942051 KOTZIVLNIMTEKO-UHFFFAOYSA-N 423.449 3.318 0 40 HGAB O=C(NC[C@H]1CC[C@H](C(=O)NCCN2CCc3ccccc32)CC1)[C@@H]1CC=CCC1 257340108 ZEPAUKZNFUCDIO-CEMLEFRQSA-N 409.574 3.444 0 40 HGAB CC[C@H](C(=O)N[C@H](C)c1cc(OC)ccc1OC)N(c1ccccc1)S(C)(=O)=O 260746990 ZFIBUKRQXPTKAM-DNVCBOLYSA-N 420.531 3.126 0 40 HGAB CC[C@@H](C(=O)N[C@H](C)c1ccccc1OC)N(c1cccc(C)c1)S(C)(=O)=O 260805446 DDGAJTXFPGETPS-APWZRJJASA-N 404.532 3.426 0 40 HGAB Cc1ccc(C)c(S(=O)(=O)N2CCC[C@H](C(=O)N3CCOc4ccccc43)C2)c1 260830847 UMEGFIFIHHXHGT-SFHVURJKSA-N 414.527 3.130 0 40 HGAB COCCN1CC[C@@]2(CN(Cc3cccc(F)c3)C[C@@H]2c2cn(C(C)C)cn2)C1=O 306142631 XFANLWNYGVXSAO-OFNKIYASSA-N 414.525 3.068 0 40 HGAB COC(=O)c1ccc(Cl)c(NC(=O)CN2CCN(c3ccc(F)cc3)CC2)c1 408583107 RPZOYKRITSTVOM-UHFFFAOYSA-N 405.857 3.026 0 40 HGAB Cc1ccc(S(=O)(=O)Nc2ccc3sc(C(=O)N4CCOCC4)cc3c2)cc1 408713387 WAMWENSMVBVYMC-UHFFFAOYSA-N 416.524 3.483 0 40 HGAB C[C@@]1(c2cccc(C(=O)N3[C@H]4C=C(c5ccccc5)C[C@H]3CC4)c2)NC(=O)NC1=O 504085675 HSWWHHPNCWBCAA-REHUZNOOSA-N 401.466 3.202 0 40 HGAB C[C@@]12C[C@@H](c3ccccc3O1)[C@H](C(N)=O)C(=O)N2CCCn1ccc2ccccc21 524729801 JRKBDUNIJWWTHE-VNZMSGEBSA-N 403.482 3.258 0 40 HGAB biogenic O=C(NC1(c2nc(C3CCCC3)no2)CCOCC1)C(F)(F)C1(O)CCCCC1 585114031 NUEMJTHCTOZWCP-UHFFFAOYSA-N 413.465 3.180 0 40 HGAB O=C(NCc1ccc(F)cc1)C(=O)NC[C@@H](O)c1ccc(-c2ccsc2)s1 670920143 GIKLXZYIZSBWQX-OAHLLOKOSA-N 404.488 3.082 0 40 HGAB CC(=O)N1CCC(CC(=O)Nc2ccc(F)cc2)(N2Cc3ccccc3C2=O)CC1 1565524153 BZQISDKPKIMTDR-UHFFFAOYSA-N 409.461 3.191 0 40 HGAB Cn1nccc1CN1CC[C@@H]2CN(C(=O)NC34CC5CC(CC(C5)C3)C4)C[C@@H]2CC1 2056223354 HKMBJZMOSMJRPX-SNIMZYAASA-N 411.594 3.242 0 40 HGAB Cc1cccc(OCc2nnc(SCC(=O)Nc3cccc(C(=O)O)c3)n2C)c1 687558 KPWOROZYVRMSLJ-UHFFFAOYSA-N 412.471 3.132 0 40 HGAB O=C(Cn1nnc2sc3c(c2c1=O)CCCC3)Nc1ccc(Br)cc1 958867 IISVQWHBYLHZEN-UHFFFAOYSA-N 419.304 3.133 0 40 HGAB CCOC(=O)c1ccc(N2C(=O)C[C@H](SCCc3nc4ccccc4[nH]3)C2=O)cc1 1441971 CGOQNMVYAPOTLF-SFHVURJKSA-N 423.494 3.347 0 40 HGAB COc1ccc(-c2oc3ccccc3c(=O)c2OCC(=O)N2CCCC2)cc1OC 1994390 AQAYPHQEACCXTN-UHFFFAOYSA-N 409.438 3.478 0 40 HGAB O=C1NC(=O)/C(=C/c2ccccc2OCc2ccc(I)cc2)N1 2987780 DVKYLARQTZVXEO-ZROIWOOFSA-N 420.206 3.051 0 40 HGAB O=C1OCC[C@@H]1Sc1nc2ccccc2c(=O)n1-c1ccc(OC(F)F)cc1 3352265 YEZVJVLCIQSGPF-HNNXBMFYSA-N 404.394 3.395 0 40 HGAB COCCn1c(COc2ccccc2-c2ccccc2)nnc1S[C@H](C)C(N)=O 3496604 ZCDFATSHJJYPIS-OAHLLOKOSA-N 412.515 3.136 0 40 HGAB O=C(CSc1ncnc2c1nnn2Cc1ccccc1F)Nc1cccc(F)c1 4166508 LQLZSCUJJZICBO-UHFFFAOYSA-N 412.425 3.279 0 40 HGAB CCN(CC)C(=O)Cn1c(=O)n(-c2ccc(C)cc2)c(=O)c2oc3ccccc3c21 4359022 MLNSWZSVIXPTEX-UHFFFAOYSA-N 405.454 3.075 0 40 HGAB C=Cc1ccc(CN2C(=O)N(c3ccc(OCC)cc3)[C@@H]3CS(=O)(=O)C[C@H]32)cc1 4484271 DEOVSOAQIGZGIX-NHCUHLMSSA-N 412.511 3.336 0 40 HGAB COc1cccc(/C=C2\NC(=O)N(CC(=O)Nc3ccccc3)C2=O)c1OC(C)C 4704828 QHXPPXYBTNUVDQ-ATVHPVEESA-N 409.442 3.014 0 40 HGAB COc1cccc(NC(=O)CSc2nnc(Cc3ccc(OC)c(OC)c3)o2)c1 4943091 LVNGDEAJYUVFDX-UHFFFAOYSA-N 415.471 3.417 0 40 HGAB CCc1ccc(OCC(=O)N(C)Cc2nc(-c3ccc(OC)c(OC)c3)no2)cc1 4943787 FCJLBHTXVIJQFB-UHFFFAOYSA-N 411.458 3.354 0 40 HGAB C[C@@H](CCc1ccccc1)NC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1 6654425 DGOSJBYPTVHTRF-INIZCTEOSA-N 406.573 3.286 0 40 HGAB COc1cc(NC(=O)c2cc(S(=O)(=O)N(C)C)c(C)s2)c(OC)cc1Cl 6679531 PTGQLMQACJZHAX-UHFFFAOYSA-N 418.924 3.230 0 40 HGAB C[C@H]1CCCC[C@H]1NC(=O)C1CCC(Cn2c(=O)[nH]c3ccsc3c2=O)CC1 6732957 HAKNQFRIVVXCPC-SLTXQBBLSA-N 403.548 3.253 0 40 HGAB CCCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(C)cc2)c(N(CC)CC)s1 6751895 BSLXITUIYOABPI-UHFFFAOYSA-N 416.590 3.314 0 40 HGAB COc1ccc(CCNC(=O)CSc2nnc(-c3ccccc3F)n2C)cc1 6946255 IGCMVFVIGNTBOO-UHFFFAOYSA-N 400.479 3.081 0 40 HGAB CCN(CC)C(=O)CN1C(=O)N(c2ccc(C)cc2C)S(=O)(=O)c2ccccc21 7615999 QYJACXXXZUHJEF-UHFFFAOYSA-N 415.515 3.307 0 40 HGAB O=C(c1ccccc1Br)N(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 7671403 OKLCWGLCWVYRBH-OAHLLOKOSA-N 408.317 3.279 0 40 HGAB O=C(COC(=O)c1oc2ccccc2c1COc1ccccc1)NC[C@@H]1CCCO1 7779677 QCPUMTNVPAKHRD-KRWDZBQOSA-N 409.438 3.464 0 40 HGAB Cc1cccc(NC(=O)COC(=O)c2ccccc2SCC(=O)N(C)C)c1C 7938770 AANUAMPWEHUCCW-UHFFFAOYSA-N 400.500 3.279 0 40 HGAB Cc1cccc(C)c1N1C[C@H](C(=O)OCC(=O)Nc2ccc(Cl)cc2)CC1=O 8040017 KYXJBEIOQRJPPU-OAHLLOKOSA-N 400.862 3.492 0 40 HGAB COc1ccc(-c2noc([C@H]3CC(=O)N(c4ccc5c(c4)OCCO5)C3)n2)c(OC)c1 8605296 MVUYBLDXNAALRW-ZDUSSCGKSA-N 423.425 3.046 0 40 HGAB C[C@H](Sc1nnc(-c2ccc(Cl)cc2)n1N)C(=O)Nc1ccc(Cl)cn1 8724740 ACAJNHNWKQMWGC-VIFPVBQESA-N 409.302 3.480 0 40 HGAB CN1C(=O)N(C)C(=O)C2(Cc3cccc(F)c3N3[C@H]2[C@]2(C)C[C@H]3CC(C)(C)C2)C1=O 9060840 DQPHCGCUOUCMGY-AOSWFRPUSA-N 413.493 3.192 0 40 HGAB COc1ccc(OCc2nnc(S[C@@H](C)c3nc4ccccc4c(=O)[nH]3)n2C)cc1 9304239 XBPWKOKEUVUXGX-ZDUSSCGKSA-N 423.498 3.493 0 40 HGAB NC(=O)c1nc(-c2cccc(F)c2)nc2c1[nH]c(=O)n2-c1ccc(Cl)c(Cl)c1 9346574 QISNAHKKSVUKDC-UHFFFAOYSA-N 418.215 3.321 0 40 HGAB Cc1cc(C)cc(C(=O)Nc2nnc(SCC(=O)Nc3nnc(C)s3)s2)c1 9367059 SPZKAZLXAPYFDW-UHFFFAOYSA-N 420.545 3.298 0 40 HGAB O=C1N[C@]2(CCOc3ccccc32)C(=O)N1Cc1nnc(-c2ccc(Cl)cc2)o1 9501704 LUVSQKSNFATJGT-FQEVSTJZSA-N 410.817 3.120 0 40 HGAB O=C(CC[C@H]1Cc2ccccc2NC1=O)Nc1cccc(-c2nnnn2C2CC2)c1 9958812 OGBALIKOSRBCMR-INIZCTEOSA-N 402.458 3.205 0 40 HGAB Cc1nnc(SCc2cc(=O)[nH]c(NC(=N)Nc3ccc(C)c(C)c3)n2)s1 10156497 ITRJDBHZXBPGMT-UHFFFAOYSA-N 401.521 3.298 0 40 HGAB COc1ccc(-c2cc3nc([C@@H](C)NC(=O)COc4cccc(F)c4)nn3cn2)cc1 12085102 NLDKXWRDRDFSAP-CQSZACIVSA-N 421.432 3.195 0 40 HGAB O=S(=O)(N[C@H](Cc1ccsc1)c1ccccn1)c1ccc2c(c1)OCCO2 12229333 GIPFQQHLXWZCIO-QGZVFWFLSA-N 402.497 3.177 0 40 HGAB C[C@H](NC(=O)Cn1c(CS(C)(=O)=O)nc2ccccc21)c1ccc(Cl)cc1 12535454 QDFBQVUNWVZUFN-ZDUSSCGKSA-N 405.907 3.112 0 40 HGAB Cn1ccnc1[C@H](NC(=O)COc1ccc(Br)cc1)c1ccccc1 12550195 RRZMAIMCOXYLSW-GOSISDBHSA-N 400.276 3.467 0 40 HGAB Cc1c(/N=c2\scc(-c3ccccc3)n2CCO)c(=O)n(-c2ccccc2)n1C 12560483 BVOZAIMAEGGTCJ-FCQUAONHSA-N 406.511 3.239 0 40 HGAB COc1cccc(-c2cc(CNC(=O)[C@@H]3CC(=O)N(c4ccc(F)cc4)C3)no2)c1 12637552 SMBNBYYEDNAFHA-OAHLLOKOSA-N 409.417 3.159 0 40 HGAB COC(=O)c1cc(NC(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)c(F)cc1F 12910634 JFJJGVPNVFXMFO-JTQLQIEISA-N 408.788 3.396 0 40 HGAB COc1ccc(N2C(=O)/C(=C\Nc3nncs3)c3ccccc3C2=O)cc1OC 13135290 JQWUDNFCSBCCEO-GDNBJRDFSA-N 408.439 3.195 0 40 HGAB CSCC[C@H](NC(=O)Cc1csc(-c2cccnc2)n1)c1nnc2ccccn12 13593322 OHUCYEJCKVQVTL-INIZCTEOSA-N 424.555 3.401 0 40 HGAB O=C1/C(=c2/sc3nc4ccccc4n3c2=O)c2ccccc2N1Cc1ccccc1 13775581 IRNREIZZMGLZHS-QZQOTICOSA-N 409.470 3.374 0 40 HGAB O=c1ccc(-c2ccc(Cl)cc2)nn1CCCNS(=O)(=O)Cc1ccccc1 13799319 HEHITOJBGYYZRN-UHFFFAOYSA-N 417.918 3.073 0 40 HGAB CCC(CC)NC(=O)c1ccc(NC(=O)C[C@H]2SC(N3CCCC3)=NC2=O)cc1 14242137 NZNONYTYXBADGZ-QGZVFWFLSA-N 416.547 3.027 0 40 HGAB Cc1ccc(Cl)cc1NC(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCO2 15796417 PFFBDEGIAOVPQG-UHFFFAOYSA-N 424.906 3.117 0 40 HGAB CC(C)N(C(=O)CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O)C1CCCCC1 16046691 VOSYWLRURZZTQL-FQEVSTJZSA-N 410.518 3.201 0 40 HGAB Cc1ccc(C)c(S(=O)(=O)N(C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)c1 16087557 UTAMFKYIZCYGKX-UHFFFAOYSA-N 416.421 3.461 0 40 HGAB COc1cccc(N2C[C@@H](C(=O)NCc3cc(-c4ccccc4F)on3)CC2=O)c1 16838516 YZHQDWOJXZIVCT-AWEZNQCLSA-N 409.417 3.159 0 40 HGAB O=C(Cn1c(CO)cnc1SCc1ccccc1F)NCc1ccc(F)cc1 17177836 NESQTFALEPAQSD-UHFFFAOYSA-N 403.454 3.262 0 40 HGAB Cc1nc2sc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)c(C)c2c(=O)[nH]1 18024598 BZGHKQBTARTXKH-UHFFFAOYSA-N 402.907 3.217 0 40 HGAB COc1ccc2c(c1)OC1(CCN(C(=O)c3c(F)cccc3Cl)CC1)CNC2=O 19562966 NMPWNXARPJALIN-UHFFFAOYSA-N 418.852 3.285 0 40 HGAB Cc1c(C(=O)N2CCC[C@@H](c3nc(O)c4c(n3)CCN(C)C4)C2)oc2ccccc12 19566121 WCSXLYQSEGSFDW-OAHLLOKOSA-N 406.486 3.245 0 40 HGAB Cc1cc(C(F)(F)F)c2c(C3CCN(C(=O)[C@H](C)N4CCCC4=O)CC3)noc2n1 19568981 RYTNVSZJGWWMFX-LBPRGKRZSA-N 424.423 3.267 0 40 HGAB Nc1nc2c(cc1C(=O)NCc1ccccn1)CN(Cc1cccc3cccnc13)CC2 19701084 PEGRJPXFSYFLAD-UHFFFAOYSA-N 424.508 3.095 0 40 HGAB C[C@@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)N1CCN(C)CC1 19894394 CPWBSRYUSKZUPH-CYBMUJFWSA-N 410.465 3.417 0 40 HGAB COc1ccc(NC(=O)CCn2cnc3c([nH]c4ccc(C)cc43)c2=O)cc1OC 23125590 KEEOVZHRIUBRPA-UHFFFAOYSA-N 406.442 3.232 0 40 HGAB Cc1ccc(C)c(S(=O)(=O)N2CCN(Cc3ncc(-c4ccccc4)o3)CC2)c1 23881600 DGMVPUNEQIIXSW-UHFFFAOYSA-N 411.527 3.465 0 40 HGAB C[C@H](c1nc2ccccc2s1)N1CCN(C(=O)c2n[nH]c(=O)c3ccccc23)CC1 23918431 UQHRVBLNTLPVNE-CQSZACIVSA-N 419.510 3.052 0 40 HGAB COc1ccc(C2=NN(C(=O)CSc3nc(C)cc(N)n3)[C@@H](c3ccco3)C2)cc1 24841110 CVASWSIDRUPIOC-QGZVFWFLSA-N 423.498 3.439 0 40 HGAB CN(CC(=O)N1CCCCC[C@H]1c1cccn1C)S(=O)(=O)c1ccc(Cl)cc1 25462090 YFXJTYNWQSDDBS-IBGZPJMESA-N 423.966 3.443 0 40 HGAB O=C(c1cc2cc(Br)ccc2[nH]1)N1CCN(C(=O)C2CCCC2)CC1 31194715 WJWJYCUTKHOWMA-UHFFFAOYSA-N 404.308 3.405 0 40 HGAB Cn1c(C(=O)NCCNC(=O)c2ccccc2Br)cc2ccccc21 32096236 LCDVMTQLXCJZJY-UHFFFAOYSA-N 400.276 3.101 0 40 HGAB CC(C)c1ccc(C(=O)N2CCN(C[C@H](O)COCc3cccs3)CC2)cc1 32772177 PCHFEYRGGLOZNU-FQEVSTJZSA-N 402.560 3.207 0 40 HGAB CSc1ccccc1NC(=O)CCSc1ccc(S(=O)(=O)N(C)C)cn1 32871175 QAZCIMAAQAWRMH-UHFFFAOYSA-N 411.574 3.175 0 40 HGAB CCOc1ccc(N2C(=O)/C(=C/c3cn(CC(=O)O)c4ccccc34)NC2=S)cc1 39556603 VQARXVBOUWHJTJ-WQRHYEAKSA-N 421.478 3.387 0 40 HGAB O=C1C[C@@H](C(=O)Nc2ccccc2)c2c(nc(Nc3cccc(Cl)c3)[nH]c2=O)N1 40399337 PCZHVMFSUDHOAR-CQSZACIVSA-N 409.833 3.231 0 40 HGAB O=C(c1cnn(-c2ccc(OC(F)(F)F)cc2)c1-n1cccc1)N1CCOCC1 44893926 YAVXEIPJDIARLT-UHFFFAOYSA-N 406.364 3.034 0 40 HGAB COCCNC(=O)c1ccccc1NC(=O)[C@@H](C)Sc1ccc(OC)c(OC)c1 44900585 CRFUJHAKEFXBFD-CQSZACIVSA-N 418.515 3.199 0 40 HGAB C[C@H]1CCCN(Cc2ccc(CNC(=O)CCc3nc4ccccc4c(=O)[nH]3)cc2)C1 47109773 DUEMOQOLYZSCKM-SFHVURJKSA-N 418.541 3.404 0 40 HGAB COc1cccc(-n2cc(C(=O)O)c3c2[C@H](c2ccc(O)c(OC)c2)CC(=O)N3)c1 49543446 MDRNZHAOVLSSKP-HNNXBMFYSA-N 408.410 3.372 0 40 HGAB biogenic COc1ccc(CNC(=O)c2nnn(-c3cc(Cl)ccc3OC)c2C)c(OC)c1 51317562 NSGZSWYPIXKANK-UHFFFAOYSA-N 416.865 3.185 0 40 HGAB O=C(Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1)[C@@H]1CCS(=O)(=O)C1 53896391 MUGBWQOIHLBNRI-LLVKDONJSA-N 404.435 3.126 0 40 HGAB O=C(CSc1ncnc2nc(N3CCOCC3)sc12)Nc1ccccc1Cl 57506746 HSQUHQXZBXGMIG-UHFFFAOYSA-N 421.935 3.307 0 40 HGAB CC(C)(C)c1ccc2c(c1)N(S(=O)(=O)c1ccccc1)C[C@H](C(=O)NC1CC1)O2 64985584 WRHDPIDJXKFERQ-HXUWFJFHSA-N 414.527 3.219 0 40 HGAB CCCN(CCC)C(=O)Cn1ncn2nc(-c3cccc4ccccc34)cc2c1=O 67208415 MCRCIIKIZYCNTP-UHFFFAOYSA-N 403.486 3.360 0 40 HGAB O=C(Nc1ccc2[nH]ccc2c1)[C@@H](Cc1ccccc1)NC(=O)N1CCSCC1 71328879 DYEBLWCLDZADGG-HXUWFJFHSA-N 408.527 3.476 0 40 HGAB CCN(CC)S(=O)(=O)N1CCC[C@H](c2ccc(Nc3ncccc3C)cn2)C1 72353310 OVNWPIDBYAWUQD-KRWDZBQOSA-N 403.552 3.295 0 40 HGAB Cc1nc2sccn2c1CN1CCC[C@H](c2cc(=O)[nH]c(-c3ccccn3)n2)C1 72393254 NBCRUIJHCZIASV-HNNXBMFYSA-N 406.515 3.229 0 40 HGAB C[C@@H](Oc1ccc(F)cc1)C(=O)N1CCC([C@@H]2C[C@H](C(F)F)n3ncnc3N2)CC1 72395671 VJOWUDAKRMSJHN-OAUYIBNBSA-N 423.439 3.114 0 40 HGAB COCCOc1ccccc1N1CCN(C(=O)[C@H]2SCCc3ccccc32)CC1 83911918 KNFJTWLMYJIKQE-QFIPXVFZSA-N 412.555 3.391 0 40 HGAB COc1cc2c(cc1OC)CC(=O)N(CC(=O)Nc1cc(F)c(F)c(F)c1)C=C2 95474289 RGGTZHQVKBMAPJ-UHFFFAOYSA-N 406.360 3.115 0 40 HGAB O=C(c1cnn(-c2ccccc2)n1)N1CCC[C@H](c2nnc(-c3ccsc3)o2)C1 96119016 MJFQDCFCKDCGKH-AWEZNQCLSA-N 406.471 3.399 0 40 HGAB Cc1ccc(N2C(=O)[C@H]3N=NN(Cc4nc(-c5ccccc5C)no4)[C@@H]3C2=O)cc1C 101277572 ZCPKYOBRLXLVOM-OALUTQOASA-N 416.441 3.155 0 40 HGAB CC(=O)N1C[C@H](C(=O)/N=c2/sccn2Cc2ccc(C)cc2)Oc2ccccc21 101425216 SHWWDSJVBSDLCI-QAHCAUCSSA-N 407.495 3.148 0 40 HGAB COc1cccc2cc(C(=O)NCc3nn(C4CCCC4)c4c3COCC4)c(=O)oc12 206753566 VEMYNCBMJVQSBX-UHFFFAOYSA-N 423.469 3.116 0 40 HGAB CCOC(=O)[C@]1(CN)[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 218533574 SRMQAWYJNWDINO-WSTZPKSXSA-N 407.919 3.096 0 40 HGAB C[C@@H](C(=O)NCc1cccc2ccccc12)N(c1ccccc1F)S(C)(=O)=O 222882783 ZIGSKHHAMAEGCV-HNNXBMFYSA-N 400.475 3.450 0 40 HGAB Cc1ccc(C)c(OCCNC(=O)[C@@H](C)N(c2cc(C)ccc2C)S(C)(=O)=O)c1 224006031 MOBKCNXFJVLPAL-LJQANCHMSA-N 418.559 3.270 0 40 HGAB CSc1ccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)cc1NC(=O)C(C)C 224308895 NBAUMTOESYHOPG-UHFFFAOYSA-N 422.528 3.210 0 40 HGAB Cc1cc(C)cc(N(CCCC(=O)NCCCN2CCC(C)CC2)S(C)(=O)=O)c1 224757207 NDYKCJCZETUFGE-UHFFFAOYSA-N 423.623 3.088 0 40 HGAB CCOC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(OC)c(OC)c1 224794389 FCOWPGIAPQPKTB-UHFFFAOYSA-N 407.488 3.079 0 40 HGAB O=C(NC[C@H]1CCCN2CCCC[C@H]12)[C@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1 225418649 HRXDSFDFJZJLED-ZRGWGRIASA-N 407.917 3.213 0 40 HGAB O=C1CCCC[C@@H]1N1CCC(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)CC1 244975229 IHILJPQZXYOGHP-SFHVURJKSA-N 410.484 3.199 0 40 HGAB COCCOc1cccc(CN2CCO[C@@H](c3ccc(Nc4ncccn4)cn3)C2)c1 257227279 FOMCOVQBFYQTSH-JOCHJYFZSA-N 421.501 3.214 0 40 HGAB COc1ccc(-c2cccc(CC3(C(=O)N4CCN(C)CC4)CCOCC3)c2)cc1 257293058 QNYIIIQOZSXHAX-UHFFFAOYSA-N 408.542 3.476 0 40 HGAB CC(C)Oc1ccc(NC(=O)[C@@]23C[C@H]2CN(Cc2ccccc2)S3(=O)=O)cc1 260840464 VGDABPJMCMAKJZ-LAUBAEHRSA-N 400.500 3.017 0 40 HGAB COc1ccc(C(=O)N2[C@H]3CC[C@H]2[C@@]2(CCN(Cc4cccc(C)n4)C2=O)C3)cc1 306130116 IWLKMWOEGKQRTH-ZCVJKFOLSA-N 405.498 3.194 0 40 HGAB COc1cccc(CN2CCC[C@@]3(CN(Cc4cnn(C)c4)CC(F)(F)C3)C2=O)c1 306133578 MQBQDQLMNPKEPY-OAQYLSRUSA-N 418.488 3.079 0 40 HGAB Cc1ccc(CNC(=O)C(=O)Nc2ccccc2C(=O)NCc2ccccc2)cc1 408708058 GLVMYFLFXVILAX-UHFFFAOYSA-N 401.466 3.180 0 40 HGAB CCn1nc(C)c(-c2cc(C(=O)N[C@H]3CCc4cc(OC)c(OC)cc43)n[nH]2)c1C 524733286 DOMZJAKCVBGEKO-INIZCTEOSA-N 409.490 3.344 0 40 HGAB Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)NCc1cccc(C(=O)NC2CC2)c1 537572777 FQFGQXRKHDVXJH-LBPRGKRZSA-N 422.451 3.374 0 40 HGAB C[C@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)Nc2cccc3c2OCO3)c1 542967840 FCAKYYKVMIDAEY-AWEZNQCLSA-N 402.472 3.231 0 40 HGAB COc1cc2c(cc1OC)[C@@H](NC(=O)c1cc(=O)c(OCc3ccccc3)c[nH]1)CC2 604418715 ORPKBXPYFZZAAB-SFHVURJKSA-N 420.465 3.388 0 40 HGAB CC(=O)N1CCCN(C)CCN(C(=O)c2noc3c2CCCCC3)Cc2ccccc21 643554411 RSEQRSKOVKESTQ-UHFFFAOYSA-N 424.545 3.274 0 40 HGAB C=CC(=O)N1CCC(C(=O)N2CC(OC)(c3ccccc3)C2)(c2ccccc2)CC1 1556531418 JPQFEKYPGBNVPR-UHFFFAOYSA-N 404.510 3.117 0 40 HGAB CC(C)(C)c1ccc(N2C[C@H]3CN(C(=O)Cc4noc5ccccc45)C[C@H]3C2)nn1 1889224926 JQRJMESNHUSTCN-IYBDPMFKSA-N 405.502 3.053 0 40 HGAB O=C(Cc1cccnc1)N1CCC(c2ccc3cc(-c4cncnc4)cnc3n2)CC1 1891428649 CRCRFJJNGXSUBA-UHFFFAOYSA-N 410.481 3.431 0 40 HGAB CC(C)CN1CC2(CCN(C(=O)CC3=CCCCC3)CC2)[C@@]2(CCN(C)C2=O)C1 2055795976 CWPUYLXKDOBHMK-DEOSSOPVSA-N 401.595 3.306 0 40 HGAB CC(=O)Oc1ccc(/C=c2/sc3nc4ccccc4n3c2=O)cc1Br 651413 RQDONZMGBYSYBN-CXUHLZMHSA-N 415.268 3.145 0 40 HGAB CCn1cc(-c2nnc(S)n2-c2cc(OC)ccc2OC)c(=O)c2ccc(C)nc21 810629 KFTBKWSHNNOKQM-UHFFFAOYSA-N 423.498 3.278 0 40 HGAB CCOC(=O)c1cccc(NC(=O)CSc2nc3ccccc3c(=O)n2CC)c1 905580 PIEWVUFGFSIATG-UHFFFAOYSA-N 411.483 3.324 0 40 HGAB COC(=O)[C@@H](NC(=O)Cc1nc(-c2cccc(C(F)(F)F)c2)no1)c1ccccc1 1390547 UWJQYZUUGNIVND-KRWDZBQOSA-N 419.359 3.328 0 40 HGAB CCOc1ccc(CC(=O)OCc2cc(=O)n3cc(Br)ccc3n2)cc1 2626032 JZZOEKAPELYIJQ-UHFFFAOYSA-N 417.259 3.142 0 40 HGAB COc1ccc(-c2cc(C(=O)N3CCC(C(N)=O)CC3)c3ccccc3n2)cc1OC 3222937 SVOIMHQYEQZPDM-UHFFFAOYSA-N 419.481 3.257 0 40 HGAB Cc1ccc(C(=O)N[C@H](C(=O)OCC(=O)Nc2ccc(F)cc2F)C(C)C)cc1 3280811 SLBIGOTZVFWOKC-IBGZPJMESA-N 404.413 3.210 0 40 HGAB C[C@@H](Sc1nnc(-c2ccccc2F)n1CCc1ccccc1)C(=O)NC(N)=O 3391838 KLWTUXLMQQIXDF-CYBMUJFWSA-N 413.478 3.002 0 40 HGAB COc1ccc([C@@H]2[C@@H](C(=O)NCc3ccccn3)c3ccccc3C(=O)N2C)cc1 3657845 QIJHYSCSIOGHEW-FCHUYYIVSA-N 401.466 3.317 0 40 HGAB O=S(=O)(Nc1ccc(N2CCCCS2(=O)=O)cc1)c1ccc(Cl)cc1 5250702 BZKYDEWJIONMKE-UHFFFAOYSA-N 400.909 3.071 0 40 HGAB Cc1cc2nc(N3CCN(C(=O)[C@@H]4COc5ccccc5O4)CC3)sc2cc1C 5299357 HMUFWCGUNVTFTK-IBGZPJMESA-N 409.511 3.402 0 40 HGAB COc1ccc(C(=O)Nc2ccc(F)c(F)c2F)cc1S(=O)(=O)N1CCCC1 6258742 VJUPYQRKWWEVSB-UHFFFAOYSA-N 414.405 3.149 0 40 HGAB COC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccco3)C2=O)ccc1Cl 6288215 LCEZSYXOUACNCV-RIYZIHGNSA-N 420.830 3.395 0 40 HGAB NC(=O)c1c(NC(=O)COC(=O)c2cccc(Cl)c2Cl)sc2c1CCC2 7108423 YHDXIERHBPJBFZ-UHFFFAOYSA-N 413.282 3.438 0 40 HGAB CCN(CC)C(=O)CN1C(=O)N(c2c(C)cccc2C)S(=O)(=O)c2ccccc21 7615816 IOQXTNQEXBOPCU-UHFFFAOYSA-N 415.515 3.307 0 40 HGAB COc1ccc(OC)c([C@@H]2CCCN2CC(=O)Nc2ccccc2C(=O)NC2CC2)c1 7718613 OJMWLDQIRMHVGR-NRFANRHFSA-N 423.513 3.372 0 40 HGAB CS(=O)(=O)N(CCc1ccccc1)CC(=O)Nc1ccc(C(F)(F)F)cc1 8169477 BEHDWAGJQORCEZ-UHFFFAOYSA-N 400.422 3.148 0 40 HGAB O=C(CC[C@@H]1NC(=O)N(Cc2ccco2)C1=O)NCCc1ccc(Cl)cc1Cl 8991477 ZTYYJXAYEPQOEJ-INIZCTEOSA-N 424.284 3.146 0 40 HGAB Cc1n[nH]c(=O)c2c(NC(=O)CSc3ccc4c(c3)OCCCO4)oc(C)c12 9217200 MIWSOYJLWZWFCN-UHFFFAOYSA-N 401.444 3.025 0 40 HGAB CCCOC(=O)c1cccc(NC(=O)CN2C(=O)COc3ccc(Cl)cc32)c1 9235553 PXWWPGWAETYHAW-UHFFFAOYSA-N 402.834 3.271 0 40 HGAB COc1ccc(OC)c(-c2csc(NC(=O)c3cccc(S(C)(=O)=O)c3)n2)c1 9712724 JOTUVWNWNYIGPQ-UHFFFAOYSA-N 418.496 3.483 0 40 HGAB CC(=O)c1ccc(N2CCN(C(=O)c3ccc(Cn4cccn4)cc3)CC2)c(F)c1 9979383 ZOPGHWICAQOXIB-UHFFFAOYSA-N 406.461 3.236 0 40 HGAB Cc1ccc(-n2c(-c3ccc(F)cc3)cn3c4c(=O)n(C)c(=O)n(C)c4nc23)c(C)c1 10104606 WLTKUELNDOLWJK-UHFFFAOYSA-N 417.444 3.099 0 40 HGAB CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)N(C)Cc2sccc2C)cc1 10276477 FWAMBUQMUSNWDN-UHFFFAOYSA-N 422.572 3.318 0 40 HGAB COCCn1c(SCC(=O)NC(=O)N[C@H]2CCCC[C@H]2C)nc2ccccc21 11490235 RJHWQEDSPAPGJH-CABCVRRESA-N 404.536 3.179 0 40 HGAB COc1cc(NC(=O)CCCc2nc3ccccc3c(=O)[nH]2)ccc1N1CCCC1=O 12073937 QXXITHQKBYOROI-UHFFFAOYSA-N 420.469 3.020 0 40 HGAB Cc1nc2c(c(N3CCN(c4ccccn4)CC3)n1)CN(Cc1ccccc1)CC2 12183337 DOMKFQJIQRJFKQ-UHFFFAOYSA-N 400.530 3.065 0 40 HGAB Cn1nc(C2CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)CC2)c2nccnc21 12228552 ZXDCPFGOFCZVGK-UHFFFAOYSA-N 413.547 3.229 0 40 HGAB O=C(Nc1cc(C(F)(F)F)ccc1-n1cccn1)C1CCN(C(=O)C2CC2)CC1 12732960 KOKIQHRLOPMBPL-UHFFFAOYSA-N 406.408 3.478 0 40 HGAB COc1ccccc1CN(C)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F 12749287 ZWCGPYIWTPUYTI-SFHVURJKSA-N 421.419 3.433 0 40 HGAB Cc1ccc(-c2csc(NC(=O)CCc3c(C)nc4nc(N)nn4c3C)n2)cc1 12795646 QGIIPWOZLRBKJS-UHFFFAOYSA-N 407.503 3.327 0 40 HGAB COc1ccc(N2C[C@H](C(=O)Nc3ccc(Br)cc3)CC2=O)c(OC)c1 12797377 JMXLEWBBLLJNGN-GFCCVEGCSA-N 419.275 3.458 0 40 HGAB O=C(c1ccc2ccccc2c1)N1CCN(Cn2nnc(-c3ccc(F)cc3)n2)CC1 12914064 VKRQVLASDSBQKK-UHFFFAOYSA-N 416.460 3.048 0 40 HGAB CC1(C)NC(=O)N(CCSc2nnc(-c3c[nH]c4ccccc34)n2C2CC2)C1=O 12915563 QAHHZTXCTFKDTP-UHFFFAOYSA-N 410.503 3.184 0 40 HGAB C[C@H]1CCc2[nH]c3ccc(C(=O)N[C@@H](C)c4ccc(S(N)(=O)=O)cc4)cc3c2C1 12974246 SJNXVNQXATWRDI-KBPBESRZSA-N 411.527 3.431 0 40 HGAB O=C(CN1CCN(C(=O)c2sc3cc(Cl)ccc3c2Cl)CC1)NC1CC1 12981994 GNXQFSYUOLANNS-UHFFFAOYSA-N 412.342 3.245 0 40 HGAB CCS(=O)(=O)N1CCC(C(=O)Nc2nc(-c3ccccc3)c(C(C)=O)s2)CC1 12994501 KPYVBMZBJWLZLW-UHFFFAOYSA-N 421.544 3.013 0 40 HGAB CCCCOCCCNC(=O)[C@H](C(=O)c1ccccc1)n1cc(Cl)ccc1=O 13940195 BCWJSSNUQRWEGP-IBGZPJMESA-N 404.894 3.249 0 40 HGAB O=C(NCc1ccc(-c2nc3ccccc3s2)o1)N1CCN(c2cnccn2)CC1 14180702 XJMQEVRHXIHNHB-UHFFFAOYSA-N 420.498 3.378 0 40 HGAB Cc1ccc(CN(C)C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)o1 14202360 FRVFNKUTZDNZFN-UHFFFAOYSA-N 416.543 3.136 0 40 HGAB Cc1cccc(S(=O)(=O)NCCc2csc3nc(-c4cccc(F)c4)nn23)c1 15783961 CFVGIBPRZSMDPU-UHFFFAOYSA-N 416.503 3.426 0 40 HGAB Cc1ccc(-c2nnn(CC(=O)O[C@H](C)C(=O)c3c(C)[nH]c4ccccc34)n2)cc1 18866244 FPMKOFYADLNIDZ-OAHLLOKOSA-N 403.442 3.253 0 40 HGAB Cc1ccc2c(CN3C[C@@H](c4cccnc4)[C@@]4(COCCC(=O)N4)C3)c(C)n(C)c2c1 19221441 GGUPQLCNCOKRFM-DHLKQENFSA-N 418.541 3.065 0 40 HGAB OCCn1ncc(-c2ccnc(N3CCCC3)n2)c1[C@@H]1CCCN1Cc1ccccc1 19371995 VSUACZNVJHUADL-QFIPXVFZSA-N 418.545 3.270 0 40 HGAB CCCN1CCN(C(=O)COC)C[C@H](Cc2ccc(-c3cccs3)cc2)C1=O 19502865 JTNYEGXBGIYYIR-IBGZPJMESA-N 400.544 3.301 0 40 HGAB Cc1nc([C@H]2CCCN2C(=O)C(C)C)nc2c1CC(=O)N2CCc1ccccc1F 19739901 JLHOJWSFRKBCOR-LJQANCHMSA-N 410.493 3.375 0 40 HGAB CCCN1C(=O)CCc2c(C)nc([C@H]3CCCCN3C(=O)c3cnc(C)nc3C)nc21 19740892 JUMYKXZMEPSSKN-LJQANCHMSA-N 422.533 3.248 0 40 HGAB CCOCCOC(=O)C1=C(C)NC(C)=C(C(=O)OCCOCC)C1c1ccccc1 19815990 AGQZVRYAWLTBSB-UHFFFAOYSA-N 417.502 3.081 0 40 HGAB CCOC(=O)c1sc2ncn(Cc3cc(C(C)=O)ccc3OC)c(=O)c2c1C 22034781 DCFRLSFMGFDMTB-UHFFFAOYSA-N 400.456 3.203 0 40 HGAB COc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccc(F)c(F)c2)c1 22230350 COOKQGFTVDPLQM-KRWDZBQOSA-N 410.442 3.074 0 40 HGAB O=C(c1cc(=O)c2cc(Cl)ccc2o1)N1CCN(CCOc2ccccc2)CC1 23787382 OWJDQLSAJUVBAN-UHFFFAOYSA-N 412.873 3.283 0 40 HGAB COc1cc(/C=C/C(=O)N2CCC(c3nnc4ccccn34)CC2)cc(OC)c1OC 24326254 LIVGIVMTOMICGP-BQYQJAHWSA-N 422.485 3.175 0 40 HGAB CCOC(=O)[C@@H]1CSCCN1Cn1nc(C2CC2)n(-c2ccccc2)c1=S 24611560 CXHXFHMVXYZPGJ-INIZCTEOSA-N 404.561 3.219 0 40 HGAB CC1=NS(=O)(=O)NC(C)=C1CCC(=O)N[C@@H](c1ccc(F)cc1)c1cccs1 25812224 YTBWRHAJIKJMSG-IBGZPJMESA-N 421.519 3.456 0 40 HGAB CCN1CCN(c2ccc(NC(=O)CNC(=O)c3ccc(C)c(C)c3)c(C)c2)CC1 26908601 HRPCFHDZMGGYDQ-UHFFFAOYSA-N 408.546 3.122 0 40 HGAB COc1ccc(N(CC(=O)N[C@@H](C)c2ccc(F)cc2)S(C)(=O)=O)cc1Cl 30847337 JASDFYQIRWCUAP-LBPRGKRZSA-N 414.886 3.131 0 40 HGAB CCCC[C@]1(c2ccc(F)cc2)NC(=O)N(Cc2cc(=O)n3cccc(C)c3n2)C1=O 31641639 YPKUHABHLRZYFZ-HSZRJFAPSA-N 422.460 3.280 0 40 HGAB O=C(CCNC(=O)c1ccsc1)NC1CCN(Cc2ccc(Cl)cc2)CC1 32781197 HVLGYXYAWYCPTO-UHFFFAOYSA-N 405.951 3.302 0 40 HGAB O=C(NCc1ccccc1Cn1ccnc1)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 32860078 RLMIDNBDEOBRIA-OAQYLSRUSA-N 420.488 3.239 0 40 HGAB COC(=O)[C@@H](c1ccccc1Cl)N1CCN(C(=O)c2ccc(C(C)=O)s2)CC1 32882135 MUMDLFDSVBGQDD-GOSISDBHSA-N 420.918 3.276 0 40 HGAB CCOC(=O)N1CCN(C(=O)/C=C/c2ccc(OCc3csc(C)n3)cc2)CC1 40042779 IRBACNJBONHVSR-RMKNXTFCSA-N 415.515 3.344 0 40 HGAB C[C@]1(c2cccc(NC(=O)c3ccc(C4SCCS4)cc3)c2)NC(=O)NC1=O 40110847 XBONTYCPOGSCIG-HXUWFJFHSA-N 413.524 3.472 0 40 HGAB CSc1nccn1-c1cccc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)c1 40135718 WTHJWAQODNLVSN-UHFFFAOYSA-N 406.511 3.192 0 40 HGAB CC(C)c1cc(C(=O)N2CCC(NC(=O)c3cnn(C)c3)CC2)c2ccccc2n1 44811430 SRQCGVFWFVJNHE-UHFFFAOYSA-N 405.502 3.126 0 40 HGAB C[C@H]1CN(c2ccc(NC(=O)CCc3nnc(-c4ccsc4)o3)cn2)C[C@H](C)O1 48277141 ADNQGVNMFXTUSQ-KBPBESRZSA-N 413.503 3.378 0 40 HGAB O=C1C[C@H](c2ccc(Cl)cc2)[C@H](n2cncn2)C(=O)[C@@H]1[C@H]1NCCc2ccccc21 49581141 NBBYHVVEXVSNGZ-GBAJDQEWSA-N 420.900 3.302 0 40 HGAB COc1ccc(F)cc1CS(=O)(=O)[C@@H](C)C(=O)Nc1ccc(F)c(F)c1F 52435591 BQFODRVPBZCEIR-VIFPVBQESA-N 405.369 3.194 0 40 HGAB O=C(Cn1nc(-c2ccc(Br)cc2)ccc1=O)N[C@H]1CCc2ccccc21 57427442 SBBMISCOORTDTA-IBGZPJMESA-N 424.298 3.477 0 40 HGAB O=C(c1cccnc1S(=O)(=O)C(F)(F)F)N1CCC(Cc2ccccc2)CC1 58103719 HNOWSDCCNIWVQU-UHFFFAOYSA-N 412.433 3.470 0 40 HGAB CCOc1ccc(NC(=O)c2nnn(CC(=O)Nc3ccccc3CC)c2C)cc1 71326991 QDEXMQMQFNOGBY-UHFFFAOYSA-N 407.474 3.439 0 40 HGAB Cc1ccccc1OC[C@H](O)CNc1c(C)c(C)nc2cc(C3CCOCC3)nn12 72337420 JGLRQOPQYJDOAJ-LJQANCHMSA-N 410.518 3.400 0 40 HGAB NC(=O)c1c(NC(=O)CN2CCOc3ccc(Cl)cc32)sc2c1CCCC2 78950288 NNLKJNNGYKCKRT-UHFFFAOYSA-N 405.907 3.217 0 40 HGAB COc1ccc(NC(C)=O)cc1NC(=O)Cc1nn(C(C)C)c(=O)c2ccccc12 79478141 FAHHILYVOVHOIN-UHFFFAOYSA-N 408.458 3.126 0 40 HGAB Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)N1CCC[C@H]([C@H](C)O)C1 89520873 LNQMKNXAXLXNRM-GJZGRUSLSA-N 406.324 3.485 0 40 HGAB CC(C)NC(=O)C[C@H]1CC2(CCN(C(=O)c3cccn3C)CC2)Oc2ccccc21 96079969 WAIBLYRTPLQOTK-SFHVURJKSA-N 409.530 3.481 0 40 HGAB CC(C)(C)c1cc(NC(=O)CN2CCN(C(=O)c3cc4ccccc4o3)CC2)on1 96797766 KJEXIXVSPSZTQG-UHFFFAOYSA-N 410.474 3.115 0 40 HGAB C[C@H](OC(=O)c1ccc(-n2ccnc2)nc1)c1nc2ncc(Br)cc2[nH]1 97164834 VHTGIMCWJVYEFO-JTQLQIEISA-N 413.235 3.219 0 40 HGAB COc1cc(/C=C2/N=C(c3cccc(Cl)c3)OC2=O)cc(Cl)c1OCC(N)=O 97995919 AHYDYCFRSOCDGC-MKMNVTDBSA-N 421.236 3.211 0 40 HGAB O=c1cccc2n1C[C@H]1C[C@H]2CN([C@H](c2ccccc2)c2nnnn2-c2ccccc2)C1 104703895 MTAIYTIOQSSQHB-VAXXYWNWSA-N 424.508 3.033 0 40 HGAB biogenic CCc1ccc(N(CCCC(=O)Nc2ccc(C(=O)OC)cc2)S(C)(=O)=O)cc1 222640156 MPQHQJRKPAHIPK-UHFFFAOYSA-N 418.515 3.221 0 40 HGAB CC[C@H](NC(=O)CN(Cc1ccccc1F)S(C)(=O)=O)c1ccc(C)cc1C 223726984 KCPDOCHJCFKRTB-FQEVSTJZSA-N 406.523 3.472 0 40 HGAB CSc1ccc(S(=O)(=O)N(C)CC(=O)NCCSc2ccc(C)cc2)cc1 224341044 AOBGSXZALNDEFP-UHFFFAOYSA-N 424.613 3.246 0 40 HGAB CCc1ccc(N([C@H](C)C(=O)NCCOc2cc(C)cc(C)c2)S(C)(=O)=O)cc1 260888344 LQXHCVCKZGLSBG-GOSISDBHSA-N 418.559 3.216 0 40 HGAB COc1ncccc1NC(=O)c1nc(-c2cnc(N(C)C(C)=O)s2)n2ccccc12 306143066 XSIXGRXIIUZGJM-UHFFFAOYSA-N 422.470 3.096 0 40 HGAB Cc1c(Cl)cccc1N1C[C@@H](C(=O)OCC(=O)Nc2ccc(F)cc2)CC1=O 408669451 WCYVSRDJJFBDGJ-ZDUSSCGKSA-N 404.825 3.322 0 40 HGAB Cc1ccc([C@H]2[C@H](NC(=O)c3ccccc3)C(=O)N/[N+]2=C\c2ccc(F)cc2)cc1 409055247 KPGPSFBRTPMUJR-NXTBZVMJSA-O 402.449 3.150 0 40 HGAB CCn1c(CNC(=O)c2ccccc2C)nnc1SCC(=O)NC1CCCCC1 409067003 IRLGBRWGRRVHND-UHFFFAOYSA-N 415.563 3.077 0 40 HGAB COc1ccc(NC(=O)/C=C/c2ccc(CNS(=O)(=O)c3ccccc3)o2)cc1 409195524 WCOBHOLUVSKTNH-BUHFOSPRSA-N 412.467 3.419 0 40 HGAB O=S1(=O)CC[C@H](N(c2ccccc2)S(=O)(=O)c2ccc(Cl)c(Cl)c2)C1 575424841 OOLSMWFAUIMTFS-ZDUSSCGKSA-N 420.339 3.376 0 40 HGAB COc1ccc(NC(=O)c2ccc3n2CCN(C(=O)Cc2ccccc2)CC3)cc1 585111067 ZUUOOKPFJPNMHC-UHFFFAOYSA-N 403.482 3.376 0 40 HGAB COC(=O)c1ccc(S(=O)(=O)NCC2(c3ccc([C@H](C)O)s3)CCCC2)cc1 585371205 OTGRKCRYYDYZBN-AWEZNQCLSA-N 423.556 3.378 0 40 HGAB Cn1cc(C(=O)N2CCCCc3ccccc3OC[C@@H](O)[C@@H](O)CC2)c2ccccc21 643575213 KMQUHXOYYWSVOD-XZOQPEGZSA-N 422.525 3.148 0 40 HGAB CS(=O)(=O)c1ccc(CCC(=O)NC[C@H](O)c2ccc(-c3ccco3)cc2)cc1 1775966595 NTKKAWKYCVTKOP-FQEVSTJZSA-N 413.495 3.133 0 40 HGAB O=C(CSc1nnc2c(Cl)cc(Cl)cn12)NC(=O)NCc1ccccc1 2621291 AZODJNYPVIFGGV-UHFFFAOYSA-N 410.286 3.154 0 40 HGAB O=C(CSc1nc(O)c2cnn(-c3ccc(F)cc3)c2n1)NC1CCCCC1 2717980 OKIBEBRXKWRHEJ-UHFFFAOYSA-N 401.467 3.201 0 40 HGAB COc1ccc(C(=O)CSc2nnc(-c3ccccc3Br)n2N)cc1 2778146 CFESDWOAVJJQIO-UHFFFAOYSA-N 419.304 3.405 0 40 HGAB Cn1cc(NC(=O)c2sc3cccc(OC(F)F)c3c2Cl)c(C(N)=O)n1 2793712 JICVFAMAWLQKNU-UHFFFAOYSA-N 400.794 3.241 0 40 HGAB O=C(O)[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cccc(I)c2)N1 3173947 PUGCTTMHYQKTNT-HZPDHXFCSA-N 418.234 3.461 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2ccc(C)cc2C)cc1 3339324 RPGGISJEHGGDMQ-UHFFFAOYSA-N 418.515 3.129 0 40 HGAB CC[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)Nc2ccc(C(C)=O)cc2)C1=O 3464416 FOYFNIYDMHUIAD-NRFANRHFSA-N 413.861 3.338 0 40 HGAB CC(C)[C@H](C(=O)OCC(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1=O 4155945 QVYDPTHOKUMAHH-SOXQQHAUSA-N 417.889 3.122 0 40 HGAB O=C1Oc2ccc(Br)cc2[C@H]2CC(=O)N(Cc3ccccc3)C(=O)[C@@H]12 4653736 PIOOFNUGFUFAHD-PBHICJAKSA-N 400.228 3.027 0 40 HGAB COc1ccc2nc(NC(=O)[C@H]3CC(=O)N(CCc4ccc(F)cc4)C3)sc2c1 4976134 CMANEKSDQZLXTC-AWEZNQCLSA-N 413.474 3.474 0 40 HGAB Cc1ccc(NC(=O)Cn2c(=O)n(CCc3ccccc3)c(=O)c3sccc32)cc1 6679379 ZSZSUTXYRLIUPW-UHFFFAOYSA-N 419.506 3.415 0 40 HGAB Cc1cccc(S(=O)(=O)c2cn(C)c3cc(N4CCCC4)c(F)cc3c2=O)c1 6868699 STMDQQWYTFDCTP-UHFFFAOYSA-N 400.475 3.419 0 40 HGAB Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)c(C)n1-c1ccc(F)cc1 6961667 IVMGZZRSLNRPBK-YBFXNURJSA-N 404.401 3.295 0 40 HGAB Cc1cccc(N2C[C@@H](C(=O)OCC(=O)Nc3cc(Cl)ccc3C)CC2=O)c1 8037254 WKAHBWKUPFUWED-HNNXBMFYSA-N 400.862 3.492 0 40 HGAB C[C@H](Sc1nnc(NC2CC2)s1)C(=O)Nc1ccc(N2CCOCC2)cc1 8230872 MVEDUPXLILHMHD-LBPRGKRZSA-N 405.549 3.068 0 40 HGAB CNC(=O)c1ccc(NC(=O)[C@H](CC(C)C)NC(=O)c2ccc(Cl)cc2)cc1 8327109 QEPHBBQUDLMAAI-SFHVURJKSA-N 401.894 3.483 0 40 HGAB Cc1ccc(S(=O)(=O)NC[C@H]2C[C@@H]3CCN2C[C@@H]3CN(C)c2ccccc2)cc1 8635702 INQBQRUMQUULMI-JAXLGGSGSA-N 413.587 3.120 0 40 HGAB biogenic,in-vitro COc1ccc(OC)c(NC(=O)COc2cccc3ccc(N4CCOCC4)nc23)c1 8769580 WWSXUPDUUNWAJK-UHFFFAOYSA-N 423.469 3.106 0 40 HGAB CCOC(=O)c1c(NC(=O)CNc2ccccc2SC)sc(C(=O)NC)c1C 9338554 YUMISVNDOFQFQN-UHFFFAOYSA-N 421.544 3.365 0 40 HGAB C[C@@H](Sc1nnc(CN2CCCC2)n1-c1ccccc1)C(=O)NCc1ccco1 9339391 GVGSHYCFBGURIK-MRXNPFEDSA-N 411.531 3.253 0 40 HGAB CCCOc1ccccc1/C=c1/sc2nc([C@H]3COc4ccccc4O3)nn2c1=O 9346202 VPOWIBXPRYRKLZ-LSCADSNKSA-N 421.478 3.000 0 40 HGAB Cc1ccc(CC(=O)Nc2nc3ccc(S(=O)(=O)N(C)C)cc3s2)cc1C 9824665 KYXDGOHETWAUHR-UHFFFAOYSA-N 403.529 3.345 0 40 HGAB CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)O[C@@H](C)c2ccccc2Cl)cc1 9963620 DUFOAKGGIFUCMJ-STQMWFEESA-N 424.906 3.270 0 40 HGAB O=C(COC(=O)C1(c2ccc(Cl)cc2)CC1)NCCc1ccc2c(c1)OCCO2 10123992 MMFDHNDIQJIEEI-UHFFFAOYSA-N 415.873 3.045 0 40 HGAB O=C(NCCNc1ccc(Nc2ccncc2)nn1)c1ccccc1C(F)(F)F 11697789 GFOSAKDGIOVUSA-UHFFFAOYSA-N 402.380 3.476 0 40 HGAB Cc1ccc2c(c1)C(=O)N(CC(=O)N1[C@@H](C)CCC[C@H]1C)CC1(CCOCC1)O2 12086896 MTIXEKMDFWSGLE-HDICACEKSA-N 400.519 3.168 0 40 HGAB C[C@@H]1CCc2c(sc3ncn(C4CCN(C(=O)c5ccncc5)CC4)c(=O)c23)C1 12145473 ZPKIJSOLQZZOCR-CQSZACIVSA-N 408.527 3.455 0 40 HGAB O=C(c1nc(-c2cccnc2)no1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 12324596 IPGKGDABSKNWKF-UHFFFAOYSA-N 404.257 3.401 0 40 HGAB Cc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)Nc1cccc2ncccc12 12760491 FBMRLVRSNUMOLI-UHFFFAOYSA-N 400.364 3.489 0 40 HGAB C[C@@H](NC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)C12CC3CC(CC(C3)C1)C2 13000643 PBMFZAACQOLNLL-IKWICQFUSA-N 421.541 3.101 0 40 HGAB COc1ncc(CN2CCC(c3cc(C(F)(F)F)n4nc(C)cc4n3)CC2)cn1 13226848 OVTXKHPXEZHZHL-UHFFFAOYSA-N 406.412 3.235 0 40 HGAB Cc1ccc(NC(=O)Cc2nnc(SCC(=O)NC3CCCC3)n2C)cc1Cl 13567176 LDPRWLMREAVZMZ-UHFFFAOYSA-N 421.954 3.109 0 40 HGAB Cc1ccc(NS(=O)(=O)c2ccc(C(=O)OCc3ccc(C(N)=O)cc3)cc2)cc1 14077958 QGGRPIVCPFXBHA-UHFFFAOYSA-N 424.478 3.252 0 40 HGAB CC(=O)N(c1ccccc1)c1nc(CSc2nnnn2C[C@@H]2CCCO2)cs1 14197303 VPROKVQQRHHTMD-INIZCTEOSA-N 416.532 3.286 0 40 HGAB CC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc(Br)cc3F)ccc21 15243630 BTZREHXPXMYADM-UHFFFAOYSA-N 413.268 3.298 0 40 HGAB Cc1ccc(OCc2nnc(SCC(=O)N3CCN(c4ccccc4)CC3)o2)cc1 18201375 WICBCPYJUFVKOG-UHFFFAOYSA-N 424.526 3.398 0 40 HGAB O=C([C@H]1CCCO1)N1CCc2nc(-c3ccncc3)nc(Nc3cccc(F)c3)c2C1 19293996 AKHYQRJZBWWBBI-HXUWFJFHSA-N 419.460 3.485 0 40 HGAB CCOc1ccc(CC(=O)N2CCC(c3nnc(-c4cnc(C)cn4)o3)CC2)cc1 19532829 PHLDEHPSGRWZNS-UHFFFAOYSA-N 407.474 3.182 0 40 HGAB Cc1c(C(=O)N2CCO[C@H](c3nc(-c4ccncc4)no3)C2)c2ccccc2n1C 19581758 BRSHSABYGJTHAT-SFHVURJKSA-N 403.442 3.145 0 40 HGAB Cc1nc([C@@H]2CCCN2C(=O)CN2CCCC2)ccc1C(=O)NCc1ccc(F)cc1 19709341 RTENBSYVXHYSOW-QFIPXVFZSA-N 424.520 3.218 0 40 HGAB COc1ccc(C)cc1N1C[C@@H](C(=O)Nc2cnn(Cc3cccc(F)c3)c2)CC1=O 19715232 GQWJCGKITWMPTH-KRWDZBQOSA-N 422.460 3.379 0 40 HGAB Cc1nnsc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2scnc2C)CC1 19746360 CVLXYTAUFBOBMW-HNNXBMFYSA-N 419.576 3.159 0 40 HGAB COc1ccc([C@@H]2CC(=O)c3cnc4c(c3C2)c(=O)[nH]c(=O)n4CCC(C)C)cc1 19821189 ASNWJUMTAREOQB-HNNXBMFYSA-N 407.470 3.052 0 40 HGAB CCN(CC(=O)Nc1ccc(F)c(F)c1)S(=O)(=O)c1ccc(OC)c(Cl)c1 19930416 GIRDOBCUBBHKTG-UHFFFAOYSA-N 418.849 3.276 0 40 HGAB Cc1nc2sc3c(NCCN4CCOCC4)ncnc3c2c2c1COC(C)(C)C2 19940127 RKJLWJDTCWRVCI-UHFFFAOYSA-N 413.547 3.143 0 40 HGAB CCOC(=O)c1cccc(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)c1C 20485632 VNVLXMGZTSYHMD-UHFFFAOYSA-N 402.472 3.099 0 40 HGAB CNc1nc(N2CCN(Cc3ccccc3)CC2)nc2c1C(=O)C[C@@H](c1ccco1)C2 20503117 FLSISTUAZWSRGE-SFHVURJKSA-N 417.513 3.346 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(N(C)C)c(NC(=O)[C@]2(C)CC2(Cl)Cl)c1 22190885 RTYXMMVOKPBYKE-INIZCTEOSA-N 422.378 3.306 0 40 HGAB Cc1ccccc1N(CC(=O)NCCCc1cccc(OC(C)C)c1)S(C)(=O)=O 22326826 PENHTFNILJQUOA-UHFFFAOYSA-N 418.559 3.297 0 40 HGAB COc1ccc(N(CC(=O)Nc2ccc(OC3CCCC3)cc2)S(C)(=O)=O)cc1 22332527 HLNUBZBABFGOMI-UHFFFAOYSA-N 418.515 3.421 0 40 HGAB COC(=O)c1cccc(NC(=O)CN(c2c(C)cc(C)cc2C)S(C)(=O)=O)c1C 22392074 YJXJDELFXVKCFI-UHFFFAOYSA-N 418.515 3.112 0 40 HGAB COc1ccc(C)cc1NC(=O)[C@H](c1ccccc1)N1CCN(C[C@H]2CCCO2)CC1 22799465 NNXKJOGRRFBOQO-QPPBQGQZSA-N 423.557 3.480 0 40 HGAB Cc1ccc(C)c([C@@H](O)CN2CCN([C@H](c3ccccc3)c3nccn3C)CC2)c1 22887312 DRCDWKYEJLYIHM-BJKOFHAPSA-N 404.558 3.478 0 40 HGAB O=C(CCC(=O)c1ccc2c(c1)CCC2)NCc1ccccc1CN1CCOCC1 23956547 VIWHDZRARFXEQC-UHFFFAOYSA-N 406.526 3.287 0 40 HGAB Cc1csc(-n2c(C)cc(C(=O)COC(=O)c3c(C)cc(=O)oc3C)c2C)n1 26013281 KSZZHAXVUGQUBX-UHFFFAOYSA-N 400.456 3.469 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(CCC(=O)NCCc2ccc(OC)cc2)cc1 28198207 SCQHGDNWQZPALW-UHFFFAOYSA-N 418.559 3.017 0 40 HGAB O[C@@H](COCc1ccccc1Cl)Cn1nnc(-c2ccc(Br)cc2)n1 31561355 CXYZDWOYBMROOR-OAHLLOKOSA-N 423.698 3.334 0 40 HGAB COCCN1C(=O)c2ccccc2[C@H](C(=O)NC[C@@H](O)c2ccccc2)C12CCCC2 32087819 LQJIFALMZVEHTA-FGZHOGPDSA-N 422.525 3.035 0 40 HGAB Cc1nc(CN2CCN(C(=O)c3cc(-c4ccc(Cl)cc4)n[nH]3)CC2)cs1 32332992 XZNLPJZCNWVNTN-UHFFFAOYSA-N 401.923 3.453 0 40 HGAB C[C@@H]1CCC[C@@H](NC(=O)COC(=O)c2cnn(-c3ccccn3)c2C(F)(F)F)[C@@H]1C 32922161 UKDPJAXYOUAWPR-UMVBOHGHSA-N 424.423 3.384 0 40 HGAB Cc1ccc(N2C[C@H](C(=O)N3CCC[C@@H]3c3ccc4c(c3)OCCO4)CC2=O)cc1 32987973 NQKHHBFXVAALJZ-UYAOXDASSA-N 406.482 3.483 0 40 HGAB O=C(CN1C(=O)S/C(=C/c2ccccc2)C1=O)Nc1ccc2oc(=O)ccc2c1 33583681 KPUAUIUZVQIPOY-LICLKQGHSA-N 406.419 3.468 0 40 HGAB Cc1cc(C(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)c(C)n1-c1nccs1 36390505 DCIFMIFAKHUOAQ-JOCHJYFZSA-N 420.494 3.127 0 40 HGAB COCc1nc2ccccc2n1CC(=O)NCc1cc(Cl)c2c(c1)OCCCO2 36752209 XSOBRXIKSMPFFB-UHFFFAOYSA-N 415.877 3.314 0 40 HGAB C[C@H](CCc1ccccc1)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 38279784 JQTWVGNQOVBIEA-QUCCMNQESA-N 400.544 3.225 0 40 HGAB O=S(=O)(c1ccc2c(c1)OCCCO2)N1CCn2cccc2[C@H]1c1ccccc1 40059734 DNVSVUKBCSIZOF-JOCHJYFZSA-N 410.495 3.443 0 40 HGAB CCOC(=O)C1CCN([C@@H](C)c2nc3sc4c(c3c(=O)[nH]2)CC[C@@H](C)C4)CC1 57369253 NRFLKKBLTASPPX-OLZOCXBDSA-N 403.548 3.446 0 40 HGAB CC(=O)c1ccc(N2CCN(CC(=O)NCCc3ccc(C(C)C)cc3)CC2)cc1 57432158 XHHZLCHOHXQGHY-UHFFFAOYSA-N 407.558 3.494 0 40 HGAB Cc1nn(C)c(C)c1[C@@H](C)NC(=O)CCCN1C(=O)c2cccc3cccc(c23)C1=O 58014889 DCHHJDAHJVDYAJ-CQSZACIVSA-N 418.497 3.444 0 40 HGAB Cc1cccc(-n2ccnc2S(=O)(=O)[C@@H](C)C(=O)N2c3ccccc3C[C@H]2C)c1 58328487 STTHWGZHUKWGNJ-SJORKVTESA-N 409.511 3.321 0 40 HGAB CC(=O)c1c(C)[nH]c(C(=O)Cn2nc(-c3ccc4c(c3)OCCCO4)ccc2=O)c1C 58345533 KWYBMMFRYFNAPT-UHFFFAOYSA-N 421.453 3.102 0 40 HGAB Cc1cccc(-c2noc(-c3ccc(=O)n(CC(=O)NCc4ccc(F)cc4)c3)n2)c1 67289547 YQFMIQFKWJXKDX-UHFFFAOYSA-N 418.428 3.329 0 40 HGAB COc1cc(C)c(C)cc1S(=O)(=O)NC[C@](O)(c1ccccc1)C(F)(F)F 70636494 NEARKJJEJZBDEH-KRWDZBQOSA-N 403.422 3.040 0 40 HGAB CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)CCn1c(=O)[nH]c(=O)c2ccccc21 71844178 UVIBOPNCMBMZME-QUCCMNQESA-N 405.498 3.265 0 40 HGAB Cc1nc([C@H]2CCCN2C(=O)C(C)(C)O)nc2c1CCC(=O)N2CC1CCCCC1 72371114 YLHUVEOZBGYBRG-GOSISDBHSA-N 414.550 3.079 0 40 HGAB Cc1cc(Nc2ncccn2)cc([C@H]2CCCN(CC(=O)N3CCC(C)CC3)C2)n1 72374860 SXELRGYDGUVOBL-IBGZPJMESA-N 408.550 3.362 0 40 HGAB Cc1nc(CN(C)C(=O)c2cccnc2)nc2c1CCC(=O)N2Cc1ccc(F)cc1 72380133 YIQQOLKTYUUZMK-UHFFFAOYSA-N 419.460 3.071 0 40 HGAB CCOC[C@H](C(=O)OC)N(C)C(=O)/C=C/c1ccc(OCc2csc(C)n2)cc1 79107377 HDAHZHZNZGPXJZ-UFUQCMIWSA-N 418.515 3.080 0 40 HGAB COc1cc(C(=O)Nc2ccc(Oc3cccc(C(N)=O)c3)nc2)cc2c1OCCO2 79488955 SKNNKYDBHUYKBS-UHFFFAOYSA-N 421.409 3.005 0 40 HGAB O=C(Cn1ncc(=O)c2ccccc21)N(c1ccc2c(c1)OCO2)C1CCCCC1 84585516 KVQRNZXYQODSLR-UHFFFAOYSA-N 405.454 3.491 0 40 HGAB O=C(NCc1ccco1)[C@@H]1CCCN1C(=O)c1c[nH]c2cccc(Br)c12 89800150 PWEFVBSHXWKYJB-INIZCTEOSA-N 416.275 3.444 0 40 HGAB CC(C)c1ccc(CN(C(=O)C2CCN(c3cncc4nnnn34)CC2)C2CC2)cc1 89893396 WKQNIHCMCCYHGB-UHFFFAOYSA-N 419.533 3.050 0 40 HGAB CC1CCN([C@@H](CNS(=O)(=O)c2ccc3c(c2)OCCO3)c2cccs2)CC1 95350887 NHBKHUUIFKZTBS-KRWDZBQOSA-N 422.572 3.271 0 40 HGAB O=C(CCCNc1ncccn1)NCCn1ccc2cc(Br)ccc21 95476758 VACCFMMLQBKMOQ-UHFFFAOYSA-N 402.296 3.202 0 40 HGAB CC(C)[C@H](NS(=O)(=O)c1cc(S(C)(=O)=O)ccc1Cl)c1ccccc1N 95944675 KNEPMDSKTOUQJE-KRWDZBQOSA-N 416.952 3.001 0 40 HGAB C/C=C/C=C/C=C/C(=O)O[C@@H]1C=C(CO)[C@@](O)(C(=O)O)[C@@]2(C)CCCC(C)(C)[C@H]12 96111400 WQJXWXRSOBXAGZ-RCRIVYRISA-N 404.503 3.167 0 40 HGAB biogenic,in-vitro CC(C)CS(=O)(=O)C1CCN(C(=O)CCc2ccccc2Br)CC1 96374440 RPOPJLJFGLFHFT-UHFFFAOYSA-N 416.381 3.444 0 40 HGAB CCCOc1ccccc1CN1[C@H]2CC[C@H]1CC(O)(c1cnc(OC)nc1OC)C2 100143589 NTWLTZBHYGIRBH-ROUUACIJSA-N 413.518 3.297 0 40 HGAB COCCNC(=O)c1sc2ccccc2c1[C@H]1CC[C@H](CNC(=O)COC)CC1 100657912 SDDJIWDMDUXMBW-IYBDPMFKSA-N 418.559 3.314 0 40 HGAB O=C(CCN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)Nc1ccccc1CN1CCCCC1 100774815 LZEUPNHNWZKZBX-KLDKWKSESA-N 409.530 3.032 0 40 HGAB Cc1c(I)cnn1CCC(=O)N[C@H](C)[C@H]1C[C@@H]2CC[C@@H]1C2 101996936 LDQPVAHCGFAWEQ-FMKGYKFTSA-N 401.292 3.127 0 40 HGAB COc1ccc([C@H](C)NC(=O)CCCN(c2ccc(C)cc2)S(C)(=O)=O)cc1 113955159 NKFQPDWKMPOWHE-KRWDZBQOSA-N 404.532 3.427 0 40 HGAB CC[C@H](NC(=O)[C@H](C)N(c1cccc(OC)c1)S(C)(=O)=O)c1ccc(OC)cc1 220183362 DXDCBKGTCKPWFT-YWZLYKJASA-N 420.531 3.126 0 40 HGAB CC[C@@H](C(=O)Nc1ccc2c(c1)OCO2)N(c1cc(C)cc(C)c1)S(C)(=O)=O 220565287 PZQLDFAZXXPQMW-KRWDZBQOSA-N 404.488 3.215 0 40 HGAB CC[C@@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CCc1ccc2c(c1)OCCO2 223008797 AIFBFIQRDNCBBA-FQEVSTJZSA-N 410.514 3.252 0 40 HGAB CC[C@@H](NC(=O)CN(c1ccc(C)cc1)S(C)(=O)=O)c1ccc(OC)c(C)c1 223129029 FAYHSLBTIKOOKY-LJQANCHMSA-N 404.532 3.346 0 40 HGAB CC(C)C(=O)Nc1nnc(S(=O)(=O)NC(c2ccccc2)c2ccccc2)s1 223763471 ZLAGZQSGMKJTAZ-UHFFFAOYSA-N 416.528 3.201 0 40 HGAB CCCSc1nnc(NC(=O)[C@@H](CC)N(c2ccccc2)S(C)(=O)=O)s1 224136171 RYUIJUVUFUXPQX-CYBMUJFWSA-N 414.578 3.224 0 40 HGAB Cc1ccc(OCCNC(=O)CCCN(c2ccc(F)cc2)S(C)(=O)=O)c(C)c1 224148689 BISFNLHELOAQQW-UHFFFAOYSA-N 422.522 3.184 0 40 HGAB CCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)COc1ccccc1F 225006871 BPKYYBDABMUKTB-INIZCTEOSA-N 402.466 3.157 0 40 HGAB CCN(CC(=O)N(C)c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)c(Cl)c1 226071463 YEKQSIOHHGLWGY-UHFFFAOYSA-N 414.886 3.161 0 40 HGAB CC(=O)N[C@@H]1c2ccccc2CC[C@]12CN(Cc1ccccc1)C[C@H]2C(=O)NC(C)C 247960587 VJMXMHSFPSMDPT-BFLUCZKCSA-N 419.569 3.453 0 40 HGAB CC(C)(C)C(=O)N1CCC(c2ccnc(N3CC4(CCOCC4)OC3=O)c2)CC1 257199904 ABFCUIRZGLVRIV-UHFFFAOYSA-N 401.507 3.340 0 40 HGAB CN1CCN(C(=O)c2ccco2)C[C@H]1c1nnn2cc(-c3cccc(F)c3)ccc12 306131488 KGGNRBGPNXAZNF-IBGZPJMESA-N 405.433 3.257 0 40 HGAB O=S(=O)(c1ccc(-n2cccn2)cc1)N1[C@H]2CC[C@H]1CC(Oc1cccnc1)C2 390832411 ZHUDMHTUCGGHCM-ROUUACIJSA-N 410.499 3.030 0 40 HGAB CCOc1ccccc1NC(=O)COc1ccc(S(=O)(=O)NC(C)(C)C)cc1 409207530 WBSFIKMRQIXVEM-UHFFFAOYSA-N 406.504 3.180 0 40 HGAB COc1cccc(/C=C2/SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)c1O 409385815 KYNGTCKCILRJOJ-WOJGMQOQSA-N 424.478 3.022 0 40 HGAB O=C(COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)NC1CCCCC1 409393051 VDARZABQHKIUHA-UHFFFAOYSA-N 406.479 3.454 0 40 HGAB CSc1ccc(CC(=O)N2CC[C@]3(COCc4cnc(NC5CC5)nc43)C2)cc1 503806191 NYHPFXMTIGNPIJ-JOCHJYFZSA-N 410.543 3.016 0 40 HGAB O=C(NC[C@@](O)(c1ccccc1)C1CCOCC1)c1ccccc1Br 575610793 AQGJVYFYGAMVKV-HXUWFJFHSA-N 404.304 3.493 0 40 HGAB CC1(C)CN(C(=O)NCc2ccc(Oc3ccccc3F)c(F)c2)CCN1CCO 672900728 NUIQNBCBLSMYSM-UHFFFAOYSA-N 419.472 3.355 0 40 HGAB COc1ccc(C)cc1N(CC(=O)N1CCCCC1)S(=O)(=O)c1ccccc1 654349 ORHYAFPDRBTFEZ-UHFFFAOYSA-N 402.516 3.211 0 40 HGAB Cc1nn(C)cc1CN(C)C(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccco1)N2 675127 ZQWJVORHZYNRME-BBRMVZONSA-N 422.411 3.451 0 40 HGAB CCS(=O)(=O)c1c(S(=O)(=O)CC)c2c(C)cccn2c1C(=O)c1ccccc1 710803 RIOQZVBRESRXHF-UHFFFAOYSA-N 419.524 3.066 0 40 HGAB Cc1cc(NC(=O)COC(=O)c2c(C)nn(Cc3ccccc3Cl)c2C)no1 3360978 TYZUXHBCGBRBSM-UHFFFAOYSA-N 402.838 3.294 0 40 HGAB Cc1ccc(-n2c(S[C@@H](C)C(=O)NC(N)=O)nc3cc(Cl)ccc3c2=O)cc1 3410792 QGVCLDKNEDDPGN-NSHDSACASA-N 416.890 3.023 0 40 HGAB CCNC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(OC(F)F)cc1 3490427 HMPUMLJCXMNGLA-UHFFFAOYSA-N 405.426 3.215 0 40 HGAB CCOc1ccc(NC(=O)CSc2ccc3nnc(-c4ccccn4)n3n2)cc1 4327052 FCYRJWFNFQJLEA-UHFFFAOYSA-N 406.471 3.316 0 40 HGAB CCn1c(SCC(=O)Nc2nnc(C)s2)nnc1[C@H](C)Oc1ccccc1 4519814 LKBODUMQYITSGU-NSHDSACASA-N 404.521 3.329 0 40 HGAB CCCN1C(=O)N/C(=C/c2ccc(OCc3ccc(C(=O)O)cc3)c(OC)c2)C1=O 4723790 PRDVPJOVNGEXTD-GZTJUZNOSA-N 410.426 3.275 0 40 HGAB COc1ccc(OCCSc2nnc([C@@H](C)NC(=O)c3ccccc3)n2C)cc1 4735973 UFCTWWUFMFTIDP-OAHLLOKOSA-N 412.515 3.486 0 40 HGAB CC(C)COC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OCC(C)C)[C@H]1c1cccc(F)c1 4899392 MOBZJTQVGSXGLX-VAWZGJIGSA-N 422.493 3.264 0 40 HGAB CC(C)(C)NC(=O)[C@H](c1ccco1)N(CCc1ccccc1)C(=O)c1csnn1 4964913 GKRZZSBXELZUNC-SFHVURJKSA-N 412.515 3.472 0 40 HGAB CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)c2nc(-c3ccc(C)cc3)no2)cc1 4998267 HCHBEVKEWNTFAJ-ZDUSSCGKSA-N 400.460 3.043 0 40 HGAB CCOC(=O)[C@@H]1C(=O)[C@H](C(=O)OCC)[C@@H]2c3ccccc3-c3ccccc3[C@H]1N2C 5031618 ZQGFVKUARQIOBY-UJOPUZHASA-N 407.466 3.323 0 40 HGAB COc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCCN3C(=O)C(C)C)c(OC)c1 5099674 FITRNLLGSLCLBC-UHFFFAOYSA-N 418.515 3.440 0 40 HGAB COc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCCN(C)C)[C@@H]3c1ccccc1F 5345693 ADOXXQRJSCSICC-HXUWFJFHSA-N 410.445 3.438 0 40 HGAB Cc1c(OCC(=O)NC[C@@H](O)c2ccccc2)ccc2c3c(c(=O)oc12)CCCC3 6659082 ZIJOIVQGQLSDPR-HXUWFJFHSA-N 407.466 3.209 0 40 HGAB Cc1ccc(-c2cc(NC(=O)COC(=O)C3=COCCO3)n(-c3ccccc3)n2)cc1 7061675 OIXDMJGXYIDWKJ-UHFFFAOYSA-N 419.437 3.218 0 40 HGAB Cc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)C2c3ccccc3Oc3ccccc32)n1 7419202 UWDWFTZCFWSVLS-UHFFFAOYSA-N 413.437 3.449 0 40 HGAB CCOc1ccccc1N1C[C@@H](C(=O)OCC(=O)Nc2cc(C)cc(C)c2)CC1=O 8039805 RNQWJRXQCNDFQE-KRWDZBQOSA-N 410.470 3.237 0 40 HGAB CC(=O)N[C@@H](CC(=O)NCC(=O)Nc1cc(Cl)ccc1Cl)c1ccccc1 8314911 IWZQIZABVVMBKH-INIZCTEOSA-N 408.285 3.316 0 40 HGAB Cc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)c(C)c1 8369106 XKZMPYLAXXWHGL-HNNXBMFYSA-N 400.862 3.492 0 40 HGAB Cc1csc(NC(=O)CSc2nnc(NC(=O)COc3ccccc3)s2)n1 8830498 REEGAFRJKHCIHP-UHFFFAOYSA-N 421.529 3.051 0 40 HGAB COC(=O)c1ccc(NC(=O)C2CCN(CC(=O)Nc3ccc(C)cc3)CC2)cc1 9069206 VAPQYQYRLQBRDT-UHFFFAOYSA-N 409.486 3.071 0 40 HGAB O=C(Nc1c2c(nn1-c1ccc(Cl)cc1)CS(=O)(=O)C2)c1ccc(F)c(F)c1 9518002 MXBWJRWESUSVHF-UHFFFAOYSA-N 423.828 3.485 0 40 HGAB O=C(NCc1ccc(Cl)cc1)C(=O)c1cn(CC(=O)N2CCCC2)c2ccccc12 9518854 CLWMSMAXTFGEFY-UHFFFAOYSA-N 423.900 3.416 0 40 HGAB CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)Nc1ccc(Cl)c(Br)c1 10128319 NAJWHJFSPITXNZ-GWCFXTLKSA-N 419.703 3.411 0 40 HGAB Cc1ccc(SCC(=O)N2CCC(NS(=O)(=O)c3ccccc3)CC2)cc1 11157301 FPCRACSGHJNCHK-UHFFFAOYSA-N 404.557 3.057 0 40 HGAB Cc1nc(COc2ccc(C(=O)OCC(=O)Nc3cccc4ncccc34)cc2)no1 12077568 TWRRHQIRPCBHIB-UHFFFAOYSA-N 418.409 3.301 0 40 HGAB O=C(c1ncoc1-c1ccc(F)cc1)N1CCC2(CC1)C(=O)NCN2c1ccccc1 12117888 LBKPQQIXZWBQHH-UHFFFAOYSA-N 420.444 3.049 0 40 HGAB C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)Cc3ccc(Cl)cc3)cc2)C[C@@H](C)O1 12812661 WHGVRNLSEFFPRT-GASCZTMLSA-N 422.934 3.319 0 40 HGAB O=C(NC[C@H](c1ccccc1)N1CCCC1)c1cccc(NC(=O)[C@H]2CCCO2)c1 12910653 JSCAQWWFZMRCPY-FGZHOGPDSA-N 407.514 3.371 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccccc3)CC2)c(Cl)c1 12972563 ZWKDJZKOHVWFDY-UHFFFAOYSA-N 406.935 3.366 0 40 HGAB CC(=O)Nc1ccc2nc(NC(=O)Cc3csc(NC(=O)C4CC4)n3)sc2c1 12983471 HIAQUORNBTZMKJ-UHFFFAOYSA-N 415.500 3.241 0 40 HGAB C[C@H]1Cc2ccccc2N1C(=O)c1cccc(NC(=O)CSc2nncn2C)c1 12999056 CQUPFXDWUJSKTO-AWEZNQCLSA-N 407.499 3.137 0 40 HGAB CC1CCC(N(C)C(=O)c2ccc(Br)c(S(=O)(=O)N(C)C)c2)CC1 12999151 XTEGRTBLRWZIFQ-UHFFFAOYSA-N 417.369 3.350 0 40 HGAB Cc1sc2ncn(NC(=O)[C@H]3CC(=O)N(c4cccc(C(C)C)c4)C3)c(=O)c2c1C 13011669 UDXHVXQQHVZLBW-INIZCTEOSA-N 424.526 3.321 0 40 HGAB Cc1cccc(OCc2nnc(SCC(=O)NCCc3ccccc3)n2C)c1C 14126382 FUMMBHNSKWOGAH-UHFFFAOYSA-N 410.543 3.462 0 40 HGAB C[C@H](NC(=O)COc1ccc(F)cc1Br)c1ccc(-n2cncn2)cc1 14170302 SPVGYEOWNRRVOQ-LBPRGKRZSA-N 419.254 3.425 0 40 HGAB Cc1ccc(C(C)C)c(OCCNC(=O)CN2C(=O)N[C@@]3(CCCC[C@@H]3C)C2=O)c1 19134360 RFVYAHAEOWIJMR-GAJHUEQPSA-N 415.534 3.114 0 40 HGAB O=C1CCC[C@]2(CN(C(=O)COc3ccc(F)cc3F)C[C@H]2c2ccccc2F)N1 19368175 PFPFKCFNPAABKN-KSFYIVLOSA-N 418.415 3.148 0 40 HGAB Cc1cc(Cc2ccc(F)cc2)cc([C@@H]2CCCN2S(=O)(=O)c2cn(C)cn2)n1 19691899 WZEJEIUDVGUQEL-FQEVSTJZSA-N 414.506 3.379 0 40 HGAB Cc1nc(CC2CCN(C(=O)c3cc(C(F)(F)F)[nH]n3)CC2)cc(N2CCCC2)n1 19758883 NBJBKFNFXOKOCF-UHFFFAOYSA-N 422.455 3.222 0 40 HGAB CCN(c1ccc(OCC(=O)N[C@H](C)c2ccc(SC)cc2)cc1)S(C)(=O)=O 20030555 CJDKLTJTEBIVBH-OAHLLOKOSA-N 422.572 3.451 0 40 HGAB O=C(O)[C@H](c1c[nH]c2ccc(Br)cc12)N1CCN(c2ccccn2)CC1 20714718 LFWCZRMWFOJKQU-SFHVURJKSA-N 415.291 3.273 0 40 HGAB COc1ccc(Cl)cc1N1C[C@H](C(=O)Nc2ccc3oc(=O)ccc3c2)CC1=O 20722381 WZJMMDCDQJPIMM-CYBMUJFWSA-N 412.829 3.447 0 40 HGAB COc1ccccc1CNC(=O)c1nc(COc2ccc3c(c2)N=C(O)CC3)no1 20736829 OWVLSFMDIFCTCF-UHFFFAOYSA-N 408.414 3.121 0 40 HGAB CC[C@H](CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)noc2C)C1)c1ccccc1 21840710 NPLCNRXUULGKEM-IEBWSBKVSA-N 419.547 3.002 0 40 HGAB O=C(CCN1CCN(C(=O)[C@H]2CCCO2)CC1)Nc1ccccc1-c1ccccc1 22198823 RUGLSSWHZLWJJF-JOCHJYFZSA-N 407.514 3.005 0 40 HGAB COc1ccc(CCCNC(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)cc1 22330153 OFZRHYHYJHKLOQ-UHFFFAOYSA-N 418.559 3.334 0 40 HGAB C[C@@H](NC(=O)C(=O)NC[C@H](c1ccco1)N1CCc2ccccc2C1)c1ccccc1 22907558 PTKKRAHNDJQKSV-XMSQKQJNSA-N 417.509 3.373 0 40 HGAB O=C(CN1CSCC1=O)NCc1ccccc1-c1ccc(CN2CCCC2)cc1 26402692 WIEDTOXCYGPHNI-UHFFFAOYSA-N 409.555 3.099 0 40 HGAB O=C(CCCc1cccs1)N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1 27045235 COZVHULKVMTZQL-UHFFFAOYSA-N 410.536 3.179 0 40 HGAB COc1cccc(Cn2nc(C)c(NC(=O)c3n[nH]cc3Br)c2C)c1 28231245 JANZCOWANDHADM-UHFFFAOYSA-N 404.268 3.295 0 40 HGAB O=C(O)c1ccc(Cl)c(-c2ccc(/C=C/c3nc(=O)[nH]c(O)c3[N+](=O)[O-])o2)c1 28630525 PBCROWHKXJEEEU-GORDUTHDSA-N 403.734 3.166 0 40 HGAB COc1ccc([C@H](CNC(=O)c2ccccc2OC(F)F)N2CCOCC2)cc1 29901083 HEMKQIYHHZRVDU-SFHVURJKSA-N 406.429 3.100 0 40 HGAB O=C(NCCCn1cccn1)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1 30501994 NHPVAUVOOHRVHZ-UHFFFAOYSA-N 418.906 3.157 0 40 HGAB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)[C@@H]1CCCN(C(=O)c2ccoc2)C1 30569599 ZVVZWHDMPVZZAL-HXUWFJFHSA-N 420.513 3.310 0 40 HGAB CN(CC(=O)NCc1ccc(CN2CCc3ccccc32)cc1)C(=O)c1ccco1 31818663 LXXYNQDETSEJJT-UHFFFAOYSA-N 403.482 3.231 0 40 HGAB COc1ccccc1CN1CCC[C@H]1c1nc(-c2ccc(N3CCOCC3)nc2)no1 35425295 ZCWLCTIDZFXYQA-IBGZPJMESA-N 421.501 3.314 0 40 HGAB biogenic,in-vitro COCCN1CN(c2ccc(F)cc2)c2nc(C)c(Cc3ccccc3)c(=O)n2C1 36125657 BFIACJLRBCKYSR-UHFFFAOYSA-N 408.477 3.297 0 40 HGAB Cc1nn(-c2ccc(F)cc2)c(C)c1S(=O)(=O)N1CC(O)=Nc2ccccc21 36353910 VVNHKQCCKKAUEN-UHFFFAOYSA-N 400.435 3.425 0 40 HGAB COC(=O)c1ccc(NC(=O)C2CCN(C(=O)CCc3ccccc3)CC2)s1 36397865 JRKMVIOKGXIKGJ-UHFFFAOYSA-N 400.500 3.345 0 40 HGAB CC(C)C(=O)N1CCCc2cc([C@@H](O)CN3CCN(c4ccccc4)CC3)ccc21 36741218 VGWXPEQHZPQBDU-DEOSSOPVSA-N 407.558 3.477 0 40 HGAB O=C(c1ccc(Cn2ccnc2)cc1)N1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2)CC1 38732466 NYWCRDXRAFTMRN-XZOQPEGZSA-N 414.509 3.020 0 40 HGAB O=C(c1cn(-c2ccccc2Br)nn1)N1CCC[C@H](C(F)(F)F)C1 40073882 SXTPVYFHDFXXSE-JTQLQIEISA-N 403.202 3.444 0 40 HGAB CN(CCCNC(=O)Nc1cc(N2CCCC2=O)ccc1Cl)CC(F)(F)F 40105552 WWXDKVUXQXGPNL-UHFFFAOYSA-N 406.836 3.473 0 40 HGAB O=C(CCc1nc2ccccc2c(=O)[nH]1)NCc1cccc(OCC(F)(F)F)c1 40111925 LYTWMOJGOSLUOC-UHFFFAOYSA-N 405.376 3.113 0 40 HGAB CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)N[C@@H](C)CN(C)c2ccccc2)cc1 48344378 MGSMFSJVSWPPIK-IRXDYDNUSA-N 403.548 3.018 0 40 HGAB COc1ccc(CNCc2cc(Br)c3c(c2)OCO3)c(OC)c1OC 48747650 DFQDJZIBEIYQIZ-UHFFFAOYSA-N 410.264 3.493 0 40 HGAB C[C@@H]1CCN(C(=O)CNc2cccc(OCC(=O)N(C)C)c2)c2ccccc2S1 55871707 DWLXXBZPTDIKFQ-MRXNPFEDSA-N 413.543 3.483 0 40 HGAB O=C(Cc1ccc(-n2cnnn2)cc1)Nc1cccc(NC(=O)N2CCCCCC2)c1 58155582 LVKJHMIHMLKSJZ-UHFFFAOYSA-N 419.489 3.251 0 40 HGAB CSCC[C@H]1C[C@@H](C(=O)Nc2ccc(F)cc2)[C@]2(N1)C(=O)N(C)c1ccccc12 61717581 APWAKIVXOCBAOL-ZJBJCVSYSA-N 413.518 3.367 0 40 HGAB Cc1ccc(CNC(=O)CSc2nnc(-c3ccc4c(c3)OCCCO4)n2C)cc1 64987248 HRDOTBCCZWSYGN-UHFFFAOYSA-N 424.526 3.360 0 40 HGAB Cc1c(C(=O)Nc2ccc(F)c(F)c2)nnn1CC(=O)Nc1cccc(Cl)c1 67322327 YWINGDMRPPVKEP-UHFFFAOYSA-N 405.792 3.409 0 40 HGAB Cc1cc([C@]2(C)NC(=O)N(CC(=O)Nc3ccc(C(F)(F)F)cc3)C2=O)c(C)o1 72066048 UJUCRMVNDQKOFU-SFHVURJKSA-N 409.364 3.321 0 40 HGAB Cc1cc(C(=O)Nc2ncc(I)cc2C)c2c(C)noc2n1 72304677 DQLGRANAMIOAAF-UHFFFAOYSA-N 408.199 3.400 0 40 HGAB Cn1cnc(S(=O)(=O)N2CCC[C@H]2c2cccc(Cc3ccc(F)cc3)n2)c1 72358247 WXIMKIFBBQZUFX-IBGZPJMESA-N 400.479 3.071 0 40 HGAB O=C(c1cccc(F)c1F)N1CCC(Cc2cc(Nc3ncccn3)ncn2)CC1 72361464 FTBOIINHEKEURO-UHFFFAOYSA-N 410.428 3.383 0 40 HGAB COc1cc(C(=O)N2CCCC[C@H]2CNC(=O)OC(C)(C)C)cc(OC)c1OC 78714540 JFWGMQWUPASPMQ-HNNXBMFYSA-N 408.495 3.232 0 40 HGAB CC(C)(C)OC(=O)N[C@@H]1CCCCCC[C@@H]1C(=O)NCCCNc1ncccn1 79098830 PXADLSXYRAIJGM-DLBZAZTESA-N 405.543 3.259 0 40 HGAB C[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(c2ccc(C(F)(F)F)cn2)CC1 95950326 UWUZQSKHMUQKAX-OAHLLOKOSA-N 404.436 3.200 0 40 HGAB Cc1cccc(N(CN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@H]3C2=O)C(=O)C(F)(F)F)c1C 100395335 PNWHRTXUMWLGCL-GBALJZQLSA-N 418.415 3.209 0 40 HGAB NC(=O)c1ccc(N[C@@H]2CC(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc1 102409822 XCGKCISMUVRDNP-CYBMUJFWSA-N 411.767 3.202 0 40 HGAB CC[C@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(OC)c(OC)c1 223231692 URKUHRWZXYQPOF-LJQANCHMSA-N 416.493 3.329 0 40 HGAB CCCSc1nnc(NC(=O)CN(c2cc(C)cc(C)c2)S(C)(=O)=O)s1 223524892 KGPPDGHKOOJNSW-UHFFFAOYSA-N 414.578 3.062 0 40 HGAB CCn1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCC(=O)OC)c1C 223719512 XTIKFCBTIVOSRR-PMACEKPBSA-N 400.548 3.446 0 40 HGAB COc1ccc(S(=O)(=O)N(C)Cc2nc(-c3ccccc3Cl)no2)cc1F 223774772 ZHZNILYTXRPFAF-UHFFFAOYSA-N 411.842 3.358 0 40 HGAB COc1ccc(S(=O)(=O)NC[C@H]2COc3ccccc3O2)c(Cl)c1Cl 225248651 DWUCMEFMYQMDSW-JTQLQIEISA-N 404.271 3.120 0 40 HGAB CNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)COc1ccccc1F 225469033 TZZKQDLASOTTII-CYBMUJFWSA-N 423.282 3.130 0 40 HGAB CN1c2cccnc2CN(C(=O)Nc2ccc(OC(F)(F)F)cc2)CC[C@H]1CO 225497235 ZVFBRVQRSMGTIA-AWEZNQCLSA-N 410.396 3.215 0 40 HGAB biogenic,in-vitro CC[C@H](NC(=O)CCc1cc(S(=O)(=O)N(C)C)ccc1OC)c1ccc(C)cc1 225676277 DKHCQZKFMCIVQL-FQEVSTJZSA-N 418.559 3.454 0 40 HGAB COc1ccc(CNC(=O)[C@@H]2[C@@H]3CC[C@@]4(CC(=O)c5ccccc5O4)[C@H]32)c(OC)c1 248139605 PHXGGWLKETVAGS-MWWCJSOGSA-N 407.466 3.380 0 40 HGAB C[C@]12CC[C@H](O)C[C@@H]1CC[C@H]1[C@H]2[C@@H](O)C[C@]2(C)[C@H](c3ccc(=O)oc3)CC[C@]12O 256415609 FMTLOAVOGWSPEF-RCKVYKBBSA-N 402.531 3.213 0 40 HGAB Cc1cccc(Nc2cccc([C@H]3CN(CC(=O)N4CCC(C)CC4)CCO3)n2)n1 257283539 OYTLHVYDEVEXJU-HXUWFJFHSA-N 409.534 3.160 0 40 HGAB C[C@@H](C(=O)N[C@H](C)c1ccc2c(c1)CCC2)N(c1ccc(F)cc1)S(C)(=O)=O 260947592 WLQOGMJCZWLCIB-CABCVRRESA-N 404.507 3.346 0 40 HGAB O=C(c1ccoc1)N1CCN(CC2CC2)[C@H](c2cn3c(N4CCCC4)cccc3n2)C1 306131662 KLNQGWFUFUMPHB-NRFANRHFSA-N 419.529 3.437 0 40 HGAB COC(=O)c1c(NC(=O)/C=C/c2ccc(OC)c(OC)c2)sc2c1CCN(C)C2 408574601 IXFISQOYMYKMBO-SOFGYWHQSA-N 416.499 3.192 0 40 HGAB CCOc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2OC)cc1 408701789 FTUHVVWOPVMBGB-UHFFFAOYSA-N 404.488 3.131 0 40 HGAB O=C(N[C@H]1C(=O)N/[N+](=C\c2ccc(F)cc2)[C@H]1c1ccccc1)c1ccc(Cl)cc1 409071079 OINGYPGZOSFFRG-CIPQKONYSA-O 422.867 3.495 0 40 HGAB COc1ccc([C@H]2CN(CC3(O)CCN(c4cccc(F)c4)CC3)CCN2C)cc1 585183494 GXNUALNKFVYZAO-HSZRJFAPSA-N 413.537 3.154 0 40 HGAB CCCC(CCC)N1CCN(C(=O)COC)C[C@@](O)(COc2ccc(C)c(C)c2)C1 585282652 MCSUXYOXIAIELZ-XMMPIXPASA-N 420.594 3.173 0 40 HGAB COC(=O)Cn1ccc(NC(=O)c2cc(-c3ccccc3)n(-c3ccccc3)n2)n1 609013247 JDSPWKOVSNNHRI-UHFFFAOYSA-N 401.426 3.161 0 40 HGAB CCOCOCN(c1noc(C)c1C)S(=O)(=O)c1ccccc1Br 675082731 BRLZCKJOZQTHPK-UHFFFAOYSA-N 419.297 3.217 0 40 HGAB Cc1nc(N2CC[C@@H]3CN(c4cc(C(F)(F)F)ccn4)C[C@H]32)c2ccncc2n1 1889201586 OUIYUEKYNKRUMR-CXAGYDPISA-N 400.408 3.462 0 40 HGAB Cc1cc(I)ccc1NC(=O)C[C@@H]1Nc2ccccc2NC1=O 835016 MRCPYKAIWSSRCR-HNNXBMFYSA-N 421.238 3.361 0 40 HGAB COc1ccc(-n2c(SCC(=O)NC3CCCC3)nnc2-c2cccnc2)cc1 1362399 HAKMEDDZMOJUJZ-UHFFFAOYSA-N 409.515 3.489 0 40 HGAB Cc1cccc(C(=O)N[C@@]2(C(F)(F)F)NC(=O)N(c3ccc(Cl)cc3)C2=O)c1 2192233 HLFBEMNROURKTR-QGZVFWFLSA-N 411.767 3.393 0 40 HGAB Cc1ccccc1C(=O)N[C@H](C(=O)OCC(=O)Nc1c(F)cccc1F)C(C)C 3281314 YLCBAPXLVFEFOE-SFHVURJKSA-N 404.413 3.210 0 40 HGAB CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)c2c[nH]c3ccccc23)c1 3533254 IIVUUQOEVCNLAI-UHFFFAOYSA-N 420.874 3.111 0 40 HGAB CCCCc1nc(SCc2ccc(Cl)cc2)c2c(=O)n(C)c(=O)n(C)c2n1 4341248 LCRMNOYJKVVBPL-UHFFFAOYSA-N 404.923 3.316 0 40 HGAB COC(=O)c1cc(OC)c(OC)cc1N[C@@H]1SC(=O)N(c2ccccc2)C1=O 4514033 RLXCRMCFVZYDQX-MRXNPFEDSA-N 402.428 3.128 0 40 HGAB Cc1cccc(Nc2nnc(SCC(=O)NC(=O)NCc3ccco3)s2)c1 4838291 HYYHPEWYLBMFIN-UHFFFAOYSA-N 403.489 3.301 0 40 HGAB O=C(Nc1ccc(N2CCOCC2)cc1N1CCOCC1)c1ccc2ccccc2n1 6510228 ASLZQBWJAMWOQZ-UHFFFAOYSA-N 418.497 3.160 0 40 HGAB CCOc1ccc(C(=O)CCC(=O)NCC(=O)OCc2ccccc2)cc1OCC 6539185 JYTZZAOOCMJRMO-UHFFFAOYSA-N 413.470 3.307 0 40 HGAB CC1CCN(S(=O)(=O)c2csc(C(=O)Nc3nnc(C4CC4)s3)c2)CC1 6680646 MZZAHLOJJJOACZ-UHFFFAOYSA-N 412.562 3.150 0 40 HGAB C[C@H](NC(=O)CSc1n[nH]c(=O)n1CCc1ccccc1)c1ccc(F)cc1F 7346033 USBCDRWXGYFNFN-ZDUSSCGKSA-N 418.469 3.062 0 40 HGAB CCc1cccc(CC)c1N1C[C@@H](C(=O)OCC(=O)Nc2ccc(OC)cc2)CC1=O 8039732 AKBMOLSXZUUGDL-SFHVURJKSA-N 424.497 3.355 0 40 HGAB COc1ccc([C@@H]2NC(=S)N[C@@](O)(C(F)(F)F)[C@@H]2C(=O)c2cccs2)cc1 8684174 GSFXSFLLWNKGBG-XEZPLFJOSA-N 416.446 3.026 0 40 HGAB CN(Cc1ccccc1N1CCOCC1)C(=O)/C=C/c1c(Cl)nc2ccccn12 9157430 QMYXLSDBVXWVNY-MDZDMXLPSA-N 410.905 3.496 0 40 HGAB Cc1cc(OCC(=O)Nc2ccc(Cn3cncn3)cc2)c2c(C)cc(=O)oc2c1 9184421 GGQYCQPZIHRNCA-UHFFFAOYSA-N 404.426 3.067 0 40 HGAB COC(=O)c1c(C(=O)COC(=O)c2[nH]c(C)c(C(C)=O)c2C)c(C)n(C2CC2)c1C 9313723 XEJOERJOBJOSPQ-UHFFFAOYSA-N 414.458 3.414 0 40 HGAB O=C(CSc1ncnc2c1cnn2-c1ccc(F)cc1)Nc1ccc2c(c1)OCO2 9517638 HVIRXFCJBKYOHO-UHFFFAOYSA-N 423.429 3.414 0 40 HGAB COc1ccc(NC(=O)CSC2=NS(=O)(=O)c3cc(Cl)ccc3N2)cc1 9761983 GVYQDXDKIRZWSF-UHFFFAOYSA-N 411.892 3.191 0 40 HGAB Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccc(Br)cc2F)cc1 10042418 XGVVMLUSSXPNGC-NSHDSACASA-N 415.284 3.202 0 40 HGAB COc1ccc(S(=O)(=O)CCCC(=O)Nc2nc3c(s2)C[C@@H](C)CC3)cc1 10218661 IAFWORAZVXSCOI-ZDUSSCGKSA-N 408.545 3.469 0 40 HGAB O=C(CCc1nc2ccccc2c(=O)[nH]1)Nc1cccc(NC(=O)c2ccco2)c1 11179841 VOGJSPHQKSIFDH-UHFFFAOYSA-N 402.410 3.340 0 40 HGAB CCOc1ccc([C@@H]2[C@H](C(=O)Nc3ccccc3)[C@@H](C)Nc3ncnn32)cc1OC 11694900 HJXMRPJZDVINSI-JSNMRZPZSA-N 407.474 3.344 0 40 HGAB O=C(NCCn1nc(-c2cccnc2)ccc1=O)Nc1ccc(C(F)(F)F)cc1 11744425 XXJAZVCTCQNZQP-UHFFFAOYSA-N 403.364 3.146 0 40 HGAB CC(=O)N1c2ccc([C@@H](O)CN3CCC(O)(c4ccccc4F)CC3)cc2C[C@H]1C 12146827 ZGOICTZVXJJBKG-MWTRTKDXSA-N 412.505 3.140 0 40 HGAB COc1ccc(CCNC(=O)CS[C@H]2CCc3ccccc3NC2=O)cc1OC 12409705 MRMBQILBGLFCLX-FQEVSTJZSA-N 414.527 3.049 0 40 HGAB CCN(CC)C(=O)CSC1=NS(=O)(=O)c2ccccc2N1Cc1ccccc1 12414800 DVHGNMHMIXHHAQ-UHFFFAOYSA-N 417.556 3.353 0 40 HGAB NC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1ccc(NC(=O)c2cccs2)cc1 12599097 OVXNVMGUMSKITJ-GOSISDBHSA-N 405.479 3.053 0 40 HGAB Cc1c(Cl)cccc1NC(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCO2 12855282 HVMFDOTYWVWZNE-UHFFFAOYSA-N 424.906 3.117 0 40 HGAB Cc1c(CCC(=O)N[C@H](C(=O)O)C(C)C)c(=O)oc2cc3c(cc12)CCC(C)(C)O3 12900245 FQEIWCBOVPHNND-FQEVSTJZSA-N 415.486 3.363 0 40 HGAB biogenic COc1ccc(NC(=O)c2sccc2S(=O)(=O)N2CCCCC2)c(OC)c1 13002572 AIEQOVXSYCNNLJ-UHFFFAOYSA-N 410.517 3.192 0 40 HGAB Cc1nn(-c2ccc(N3CCN(C(=O)c4cccc(Cl)c4)CC3)nn2)c(C)c1C 13008977 UGRZYURHDOUXTB-UHFFFAOYSA-N 410.909 3.203 0 40 HGAB CCn1c(CN[C@H](C)c2ccccc2C)nc2cc(S(=O)(=O)N(C)C)ccc21 13039872 KGVWLFXZNNCSKE-MRXNPFEDSA-N 400.548 3.466 0 40 HGAB CCc1nnc2sc(-c3ccc(CNC(=O)c4ccc(OC)c(OC)c4)cc3)nn12 13954828 QYDISIRRXGROCF-UHFFFAOYSA-N 423.498 3.362 0 40 HGAB CCNc1c(NS(=O)(=O)c2cccc3nsnc23)c(=O)oc2ccccc12 15862877 CBNBTZROCLJQSW-UHFFFAOYSA-N 402.457 3.030 0 40 HGAB COc1ccc(C)cc1NC(=O)COc1ccc(S(=O)(=O)N2CCCCC2)cc1 16290996 MDGHOPVWHSPTHP-UHFFFAOYSA-N 418.515 3.196 0 40 HGAB O=C1OC(c2ccc(C3=N/C(=C\c4ccncc4)C(=O)O3)cc2)=N/C1=C\c1ccncc1 16401218 QNZYWHBNZGANMH-AXPXABNXSA-N 422.400 3.166 0 40 HGAB CCOC(=O)c1c(N/C=C2/C(=O)NC(=O)c3ccccc32)sc2c1CCSC2 16721635 OMLUSLYGDIGVTN-NTEUORMPSA-N 414.508 3.437 0 40 HGAB Cc1cc(-c2cnc(NC3CC3)nc2C2CCN(C(=O)c3cn(C)nc3C)CC2)on1 19123142 XDPAHYUHLQSVKP-UHFFFAOYSA-N 421.505 3.076 0 40 HGAB Cc1cnc(-c2nnc([C@H]3CCN(C(=O)COc4ccc(F)c(Cl)c4)C3)o2)cn1 19239161 AQSIFCSUNSZYKZ-LBPRGKRZSA-N 417.828 3.022 0 40 HGAB COc1cccc(CC(=O)N2CCCC[C@H]2c2nc(O)c3c(n2)CN(C(C)C)CC3)c1 19448347 RJQRWQPPNFNZQI-NRFANRHFSA-N 424.545 3.254 0 40 HGAB Cc1c(-c2cc(C(=O)NC[C@@H](c3ccc(F)cc3)N3CCCCC3)no2)cnn1C 19554114 JLNXICUGDCDLPX-FQEVSTJZSA-N 411.481 3.480 0 40 HGAB O=C(CC1CCCC1)N1CCO[C@@](Cc2ccccn2)(C(=O)NCc2ccccc2)C1 19700911 ZQXJBAKCNDPCDB-RUZDIDTESA-N 421.541 3.118 0 40 HGAB Cc1nn(C)c(C)c1CCNC(=O)c1cc(-c2cnn(C)c2C)nc2ccccc12 19716496 GLRMCADMCVEEQK-UHFFFAOYSA-N 402.502 3.267 0 40 HGAB COc1ccc([C@@H](C)NC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 20017754 FAEZSMUJIALVGC-QGZVFWFLSA-N 416.543 3.282 0 40 HGAB COCCCNC(=O)c1ccccc1NC(=O)CSc1ccc(OC)c(OC)c1 20485727 ZUEAZXIVGNDNJZ-UHFFFAOYSA-N 418.515 3.201 0 40 HGAB C[C@H]1Cc2ccccc2N1S(=O)(=O)c1nnc(NC(=O)c2ccc(F)cc2)s1 20486268 QRMQEJPCHYSNLZ-NSHDSACASA-N 418.475 3.069 0 40 HGAB O=S(=O)(NCCOc1ccc2c(c1)OCO2)c1cc(C(F)(F)F)ccc1Cl 23143683 UKKZXRBCOMEOKE-UHFFFAOYSA-N 423.796 3.445 0 40 HGAB COc1ccc([C@@H](c2sc3nc(C)nn3c2O)N2C[C@H](C)O[C@H](C)C2)cc1OC 23157117 HPWZRYPYZLSORA-JKDFXYPNSA-N 418.519 3.021 0 40 HGAB Cc1noc2nc(C3CC3)cc(C(=O)N3CSC[C@@H]3C(=O)NCc3ccccc3)c12 24664076 NUFKBNHMKSYCFF-GOSISDBHSA-N 422.510 3.240 0 40 HGAB Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)Nc1nc2c(s1)CCC2 25768903 BFWPDHWACONOHC-UHFFFAOYSA-N 410.425 3.276 0 40 HGAB CCN(CC(=O)Nc1ccc(OC)cc1)C(=O)Cc1c(C)nn(CC(C)C)c1C 29234774 PNPNQGPVPGHCPW-UHFFFAOYSA-N 400.523 3.194 0 40 HGAB Cc1ccc(-c2nc(CS[C@@H](C)C(=O)N[C@H]3CCS(=O)(=O)C3)cs2)cc1 31411908 OYBUWOGTBDYDKZ-ZFWWWQNUSA-N 410.586 3.044 0 40 HGAB C[C@H](OCC(F)(F)F)C(=O)Nc1cccc(S(=O)(=O)N(C)c2ccccc2)c1 31679084 FFKUESDCKSFBRX-ZDUSSCGKSA-N 416.421 3.418 0 40 HGAB C[C@H](NC(=O)c1cc(C2CC2)nc2c1c(=O)[nH]n2C)c1cccc(Br)c1 32162609 WVIFSUQEYFUWDV-JTQLQIEISA-N 415.291 3.393 0 40 HGAB Cn1c(=O)c2ccccc2n2c(CN3CCC(CCc4ccc(O)cc4)CC3)nnc12 32906845 FTGHHLNIHUXGTQ-UHFFFAOYSA-N 417.513 3.132 0 40 HGAB O=C(CN1CCN(C(=O)c2csc(-c3cccs3)n2)CC1)N1CCCCCC1 35349099 DHWUCBIOEUZQIK-UHFFFAOYSA-N 418.588 3.032 0 40 HGAB COCc1nnc(NC(=O)[C@@H]2c3ccccc3C(=O)N(C)[C@@H]2c2ccccc2)s1 36360107 HIYOPYUBLHYXPV-QZTJIDSGSA-N 408.483 3.234 0 40 HGAB COc1cc([C@@H]2CC(=O)N=C3NC=NN32)cc(Cl)c1OCc1ccccc1F 38303594 IUOZWIZMBFYEHC-HNNXBMFYSA-N 402.813 3.243 0 40 HGAB O=C(OCc1nnsc1Cl)c1ccccc1Cc1nc2ccccc2c(=O)[nH]1 40139454 UWMSGCABDINBOI-UHFFFAOYSA-N 412.858 3.376 0 40 HGAB CCOC(=O)[C@@H]1C(=O)[C@@H](C(=O)OCC)[C@H](c2ccccc2)N(C)[C@@H]1c1ccccc1 43752121 SMOICQRJIQLAGP-XSDIEEQYSA-N 409.482 3.342 0 40 HGAB CN(C)[C@H](CNC(=O)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1)c1cccs1 44118138 WVRRFTGFNPVVCE-SJORKVTESA-N 402.520 3.290 0 40 HGAB Cc1ccc(NC(=O)COc2cc(C)nc(N3CCCC3)n2)c(Br)c1 44168309 QXRDYAFJTFAPHN-UHFFFAOYSA-N 405.296 3.474 0 40 HGAB CCCSc1ncc(Br)c(C(=O)N[C@H](Cc2ccccc2)C(=O)O)n1 46086194 CKNGWGLNDWHJKW-CYBMUJFWSA-N 424.320 3.167 0 40 HGAB COc1cccc(-n2cc(C(=O)O)c3c2[C@@H](c2ccc(OC)c(O)c2)CC(=O)N3)c1 49543339 JAELFIMQFPEQAE-OAHLLOKOSA-N 408.410 3.372 0 40 HGAB biogenic O=C(COc1coc(CN2CCN(c3ccc(F)cc3)CC2)cc1=O)c1ccccc1 56949904 FFQNKXZSNAMGLF-UHFFFAOYSA-N 422.456 3.363 0 40 HGAB CCOC(=O)c1cnn(-c2ccc(NC(=O)NC[C@@H]3Cc4ccccc4O3)cc2)c1C 58110017 ZGNXVOODORFSRC-IBGZPJMESA-N 420.469 3.483 0 40 HGAB COc1cccc(N2CCN(C(=O)c3n[nH]nc3Nc3cccc(Cl)c3)CC2)c1 67284679 VVIQETSFYYRZPQ-UHFFFAOYSA-N 412.881 3.173 0 40 HGAB Cc1c(C(=O)Nc2cc(Cl)ccc2Cl)nnn1CC(=O)Nc1nccs1 71327148 ROIQPWUNANJVQU-UHFFFAOYSA-N 411.274 3.241 0 40 HGAB Nc1noc(CCNC(=O)c2ccccc2Oc2cccc(Br)c2)n1 72311504 NNUQVQNWRGLUOG-UHFFFAOYSA-N 403.236 3.179 0 40 HGAB O=C(C[C@@H]1SC2=NCN(c3cccc(Cl)c3)CN2C1=O)Nc1ccccc1 72332992 GVSLYRKBBKHZOU-INIZCTEOSA-N 400.891 3.404 0 40 HGAB CCS(=O)(=O)Nc1cccc(C2=NN(C(C)=O)[C@@H](c3cccc(OC)c3)C2)c1 79112259 UAYHOSAJFUFJDE-HXUWFJFHSA-N 401.488 3.154 0 40 HGAB CCOC(=O)[C@H]1Oc2c(c(=O)oc3ccccc23)[C@H]1c1cc2ccccc2n(C)c1=O 79191603 RYMCCCGKAGFXQP-NQIIRXRSSA-N 417.417 3.101 0 40 HGAB biogenic CC(=O)Nc1cc(NC(C)=O)cc(C(=O)N2CCC(c3c[nH]c4ncccc34)CC2)c1 95954659 IEFGWAGLDVQNGR-UHFFFAOYSA-N 419.485 3.500 0 40 HGAB CC(C)S(=O)(=O)c1ccc(CC(=O)OCCN2CCCc3ccccc32)cc1 96004532 IEYXLRVFCUBNMA-UHFFFAOYSA-N 401.528 3.407 0 40 HGAB COc1ccc2c(c1)O[C@]1(C[C@H]3CC[C@H]1C[C@@H]3C(=O)N[C@@H](C)c1ccccn1)NC2=O 100181888 QGCPTJCQAHVQQH-YTFCPDLSSA-N 421.497 3.222 0 40 HGAB NC(=O)COc1cccc(COC(=O)C23C[C@H]4C[C@@H](CC(Br)(C4)C2)C3)c1 103982921 ZNHXQXGAFOLDPK-SNEKZUEESA-N 422.319 3.328 0 40 HGAB CC(C)[C@@H](CNC(=O)c1ccoc1CN1c2ccccc2C[C@@H]1C)N1CCOCC1 107497384 MMXKIBYJWWPKCD-PGRDOPGGSA-N 411.546 3.317 0 40 HGAB COC(=O)CN(c1ccc(F)cc1F)S(=O)(=O)c1ccc(Br)cc1 113885320 CEWNFTIMARZQRZ-UHFFFAOYSA-N 420.231 3.096 0 40 HGAB C[C@]12CC[C@H](O)C[C@]1(O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](c3ccc(=O)oc3)CC[C@@]12O 118916756 PBSOJKPTQWWJJD-KHBHHLSBSA-N 402.531 3.357 0 40 HGAB biogenic Cc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4CC=CC[C@H]4C3=O)c2)cc1 135681609 GNPKPZQYRYJFFV-BGYRXZFFSA-N 418.449 3.246 0 40 HGAB CCOC(=O)CN1C(=O)S/C(=C/c2cc(Br)ccc2OCC)C1=O 205689859 AJJDATBELYBYPH-MDWZMJQESA-N 414.277 3.447 0 40 HGAB NC(=O)COc1ccccc1/C=C1/SC(=O)N(Cc2ccc(Cl)cc2)C1=O 214141781 GGCXGWGGSYCIDA-CXUHLZMHSA-N 402.859 3.441 0 40 HGAB Cc1ccccc1-c1noc(C[C@H]2CCCN(C(=O)CNC(=O)c3ccccc3)C2)n1 220788504 NOUBOMFGFFDCIS-GOSISDBHSA-N 418.497 3.256 0 40 HGAB CC[C@H](C(=O)Nc1nnc(SC)s1)N(c1ccc(Cl)cc1)S(C)(=O)=O 224900073 SIDYMTJUTHVZMB-LLVKDONJSA-N 420.969 3.097 0 40 HGAB CC(C)n1c(=O)sc2cc(NC(=O)c3cccc(NS(C)(=O)=O)c3)ccc21 225150616 RPVQNOMBZFQTFM-UHFFFAOYSA-N 405.501 3.268 0 40 HGAB Cc1ccccc1N(CCCC(=O)N[C@@H](C)COc1ccccc1)S(C)(=O)=O 225190431 LBXVWECMMZKQDH-SFHVURJKSA-N 404.532 3.125 0 40 HGAB CC(C)n1c(=O)sc2cc(S(=O)(=O)N[C@H](C)COc3ccccc3)ccc21 225718908 LFMZCHBCPSBGGH-CQSZACIVSA-N 406.529 3.390 0 40 HGAB CN(C)CCOc1ccc(NC(=O)C2(C)COC(c3ccc(Cl)cc3)OC2)cn1 225919541 TXUHJNBKSMLANU-UHFFFAOYSA-N 419.909 3.366 0 40 HGAB CC(C)(NS(=O)(=O)Cc1ccccc1)C(=O)Nc1ccc(OC(F)(F)F)cc1 225924143 KQMPDPOBODYVRY-UHFFFAOYSA-N 416.421 3.422 0 40 HGAB O=C(COc1nn(-c2ccccc2)cc1Br)NCc1cccc(F)c1 227151669 WSARNDRDNPZFAH-UHFFFAOYSA-N 404.239 3.469 0 40 HGAB Cc1noc(C)c1CCC(=O)NC[C@H]1CC[C@H](c2nnc(-c3cnccn3)o2)CC1 257283287 OXQWHUWJWFLFSM-WKILWMFISA-N 410.478 3.154 0 40 HGAB COc1ccc(C)cc1NC(=O)CN1CC[C@](C)(O)[C@@H](Oc2cccc(Cl)c2)C1 257296667 RDVCOSBMTRGCFH-UNMCSNQZSA-N 418.921 3.500 0 40 HGAB CO[C@H]1CC[C@H](C(=O)N2CCC[C@H]2c2n[nH]cc2-c2ccnc(N3CCCC3)n2)CC1 257338954 YZOQZTAWFASFFU-ZWOKBUDYSA-N 424.549 3.336 0 40 HGAB CN([C@H](C(=O)N1CCC(Cc2ccccc2)CC1)c1ccccc1)S(C)(=O)=O 260805379 BYVLSKGPIZEYMR-NRFANRHFSA-N 400.544 3.100 0 40 HGAB Cn1nccc1[C@@H]1CN(Cc2cccnc2)C[C@]12CCCN(Cc1ccccc1)C2=O 306134276 NHMYLKUSECKNAI-WIOPSUGQSA-N 415.541 3.224 0 40 HGAB O=C(Cc1ccc(OC(F)(F)F)cc1)NCc1nnc2n1CC[C@H](C(F)(F)F)C2 390832532 ZZVJOQLYXNVGOB-NSHDSACASA-N 422.329 3.160 0 40 HGAB CC(C)OCCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1 408556388 IENRMGHDXUJZNY-FQEVSTJZSA-N 418.559 3.172 0 40 HGAB COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](C(=O)N2CCC(C)CC2)C1 408590755 KVCZYNHSZOEGAF-OAHLLOKOSA-N 414.955 3.008 0 40 HGAB CS(=O)(=O)N(CC(=O)Nc1cccc(C(F)(F)F)c1)Cc1ccc(F)cc1 408618041 CFSWXEMSQHVASQ-UHFFFAOYSA-N 404.385 3.245 0 40 HGAB C[C@@H](NC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)c1ccccc1 408653831 FZKNTJSOCWOCBB-GDBMZVCRSA-N 400.862 3.114 0 40 HGAB CCCC[C@@H](C(=O)OCC(=O)Nc1cccc(OC)c1)N1C(=O)c2ccccc2C1=O 408664942 QAHQTUGMILSSAW-IBGZPJMESA-N 424.453 3.032 0 40 HGAB COc1cncc(-c2ccc3c(c2)C2(CCOCC2)CN3C(=O)c2ccnn2C)c1 585105787 LXAXYGQAMAODQZ-UHFFFAOYSA-N 404.470 3.199 0 40 HGAB Cc1nnnn1-c1ccc(C(=O)N2CCc3c(cccc3C(F)(F)F)C2)c(F)c1 1534889551 SKPDIAWKRAJAKB-UHFFFAOYSA-N 405.355 3.327 0 40 HGAB CCCn1c(=O)c2ccccc2n(Cc2nc(-c3ccc(Cl)c(F)c3)no2)c1=O 1889302854 HHYGFUDZURWWLO-UHFFFAOYSA-N 414.824 3.464 0 40 HGAB CCC(=O)N(CC(=O)Nc1sc2c(c1C(N)=O)CCCC2)Cc1ccc(F)cc1 1368298 NVIWHAFESIWEHS-UHFFFAOYSA-N 417.506 3.242 0 40 HGAB CC[C@@](C)(CC(=O)O)CC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 1670886 KQYLNLYUSFQJQN-QGZVFWFLSA-N 411.505 3.164 0 40 HGAB CC(C)c1ccccc1-n1c(S[C@@H](C)C(=O)NC(N)=O)nnc1-c1cccnc1 2620615 FHGOVPCTCDKOTC-ZDUSSCGKSA-N 410.503 3.128 0 40 HGAB O=C(OCCOc1ccc(Cl)cc1)c1cccc(S(=O)(=O)N2CCCC2)c1 3390646 GTWGTKDFLBPXSY-UHFFFAOYSA-N 409.891 3.360 0 40 HGAB COCCn1c(SCC(=O)Nc2cc(C)ccc2C)nc2c(c1=O)S[C@@H](C)C2 4108022 FAHKALLXWZQKAZ-AWEZNQCLSA-N 419.572 3.274 0 40 HGAB CC(=O)Oc1ccc(/C=c2\sc3nc(/C=C/c4ccc(C)cc4)nn3c2=O)cc1 4318630 TYOQAGHLVZTIHD-VIVFWABWSA-N 403.463 3.103 0 40 HGAB Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)NCC34CC5CC(CC(C5)C3)C4)C2=O)cc1 4476909 FKPXFHGDNRTRNX-YLGSBGTBSA-N 409.530 3.095 0 40 HGAB COc1ccccc1-c1nnc(S[C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)n1C 4736357 UKCNHMOYTYAFPJ-LBPRGKRZSA-N 412.471 3.339 0 40 HGAB O=S(=O)(c1ccc(F)c2ccccc12)N1CCO[C@H](COc2ccccc2)C1 4770135 KVOOSOARTQFFGD-KRWDZBQOSA-N 401.459 3.447 0 40 HGAB Cc1cccc(N(CC(=O)NC(C)(C)C)C(=O)CNC(=O)c2cccs2)c1C 4861388 ORPHNGURGIBEAR-UHFFFAOYSA-N 401.532 3.043 0 40 HGAB O=C(OCC(=O)N1CCC(Cc2ccccc2)CC1)c1ccc(N2CCCC2=O)cc1 4891013 JSQAWWVCVGRMMK-UHFFFAOYSA-N 420.509 3.452 0 40 HGAB O=C(Cn1nc(-c2ccc3c(c2)OCCO3)ccc1=O)Nc1cccc2ccccc12 4968182 CTCPRLHSLFEMIK-UHFFFAOYSA-N 413.433 3.473 0 40 HGAB COc1ccc2c(c1)C(c1ccc(N3CCOCC3)cc1)=NNC(c1ccncc1)=N2 5447949 GEXDNSSBMZACLB-UHFFFAOYSA-N 413.481 3.361 0 40 HGAB COc1ccc(NC(=O)Cc2ccccc2F)cc1S(=O)(=O)N1CCCCC1 5578758 XQKDDDYHVNIMME-UHFFFAOYSA-N 406.479 3.190 0 40 HGAB Cc1cc(NC(=O)CN(Cc2ccco2)S(=O)(=O)/C=C/c2ccccc2)no1 6557901 QYZAAJKJRFVAFB-PKNBQFBNSA-N 401.444 3.017 0 40 HGAB COCCCN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@H]1c1ccc(C(=O)OC)cc1 6881555 HIUAJJISPIOCFS-HXUWFJFHSA-N 421.449 3.470 0 40 HGAB O=C(COc1ccc(C(=O)c2ccc(Cl)cc2)cc1)NCCCN1CCCC1=O 6883095 LNMDAMCOOCOSKK-UHFFFAOYSA-N 414.889 3.079 0 40 HGAB COc1ccc(-c2n[nH]c(SCC(=O)c3ccc(CNC(C)=O)s3)n2)cc1 7470773 KWHRDWNUOFNNNA-UHFFFAOYSA-N 402.501 3.153 0 40 HGAB CC(=O)Nc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)cc1 7598441 GJIFYDXPHHVUFY-UHFFFAOYSA-N 415.515 3.380 0 40 HGAB O=C(CSc1nccn1Cc1ccccc1)Nc1ccc(N2CCOCC2)cc1 8161685 SQSUWFVULOLASM-UHFFFAOYSA-N 408.527 3.499 0 40 HGAB C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 8310496 TWPBGMPCHBCGCB-HNAYVOBHSA-N 409.486 3.111 0 40 HGAB CC(=O)c1cccc(NC(=O)CCCC(=O)OCC(=O)N[C@H](C)c2ccccc2)c1 8416962 ZRKZWHXXHDGDEG-MRXNPFEDSA-N 410.470 3.419 0 40 HGAB COCCNC(=O)c1nc(-c2ccc(Br)cc2)n(-c2cccc(C)c2)n1 8476917 BKJLADDUWRJRCO-UHFFFAOYSA-N 415.291 3.381 0 40 HGAB C[C@@H](c1ccccc1)N1C[C@H](C(=O)N(C)Cc2cnn(Cc3ccccc3)c2)CC1=O 8709527 CIASXGPDBVAAEM-WMZHIEFXSA-N 416.525 3.500 0 40 HGAB CC[C@H](C)N1C(=O)[C@@]2(Cc3c(Cl)cccc3N3CCCC[C@@H]32)C(=O)NC1=S 8738504 STQPTDBQPUDKPZ-BXJCWQANSA-N 405.951 3.283 0 40 HGAB O=C(NC[C@H](c1ccsc1)N1CCCCCC1)C(=O)Nc1ccc2c(c1)OCO2 8893105 CPMIVAALUXGRKN-QGZVFWFLSA-N 415.515 3.149 0 40 HGAB Cn1c(=O)n(Cc2ccccc2)c(=O)c2c1nc1oc(-c3ccc(Cl)cc3)cn12 9789742 JEDDDGJDKDSMCX-UHFFFAOYSA-N 406.829 3.310 0 40 HGAB COc1ccc(N([C@@H](C)C(=O)N[C@H](C)c2ccccc2)S(C)(=O)=O)cc1Cl 10332294 DJXNUGBVTGQMMH-KGLIPLIRSA-N 410.923 3.381 0 40 HGAB COc1cc(OC)c(C2=CCN(S(=O)(=O)Cc3ccccc3)CC2)c(OC)c1 10673006 CNURYDZGNMRWRD-UHFFFAOYSA-N 403.500 3.332 0 40 HGAB O=C(CN1CCN(c2nccn2-c2cccc(Cl)c2)CC1)N1CCc2ccccc21 11695781 CFOUXFJAYCYCOC-UHFFFAOYSA-N 421.932 3.237 0 40 HGAB Cc1cc(C(F)(F)F)n2nc([C@H]3CCCCN3C(=O)CCn3ccnc3)cc2n1 12221498 SQABXZJUFRJWSF-OAHLLOKOSA-N 406.412 3.397 0 40 HGAB O=C(Nc1cc(Cl)ccc1N1CCOCC1)[C@H]1CCCN(C(=O)c2ccco2)C1 12521619 CXSMWVXJPPHTRV-HNNXBMFYSA-N 417.893 3.261 0 40 HGAB COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2cnn(-c3ccccc3)c2C)c1C 12587834 MBXGCAYQFZBKEQ-OAHLLOKOSA-N 409.442 3.340 0 40 HGAB CN(CC(=O)Nc1ccc(Oc2ccccc2Cl)cc1)[C@H]1CCS(=O)(=O)C1 12744981 SJJKYSVXTDZRLO-HNNXBMFYSA-N 408.907 3.190 0 40 HGAB CC(C)c1ccc(-c2csc(NC(=O)CCn3cnc4c(cnn4C)c3=O)n2)cc1 12750055 VXISTYJETRKGHS-UHFFFAOYSA-N 422.514 3.406 0 40 HGAB CN(Cc1ccc(C(=O)NC2CC2)cc1)S(=O)(=O)c1ccccc1Br 12770187 XZJYFGHTNBFXGQ-UHFFFAOYSA-N 423.332 3.162 0 40 HGAB COc1ccccc1[C@@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 12845414 VMDHFZSJXWQHMT-HZPDHXFCSA-N 420.506 3.112 0 40 HGAB O=C(NC[C@@H](c1cccs1)N1CCOCC1)c1cc(Br)ccc1O 12911798 OQTWRPCCKFBPSL-AWEZNQCLSA-N 411.321 3.020 0 40 HGAB O=C(Cn1nc2n(c1=O)CCCCC2)Nc1nc(-c2c[nH]c3ccccc23)cs1 12984375 ZGXZQGNRAJESAP-UHFFFAOYSA-N 408.487 3.015 0 40 HGAB COc1ccc(CN(C)CN2C(=O)N[C@]3(C[C@@H](C)CC(C)(C)C3)C2=O)c(OC)c1 13098079 BMAZDLGGYZPHGF-NYHFZMIOSA-N 403.523 3.230 0 40 HGAB C/C(=C/C(=O)Nc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc(C)cc2)cc1)C(=O)O 13579297 BGPAEINRJMFGMM-IKESIWSLSA-N 410.426 3.148 0 40 HGAB CCCCNC(=O)[C@H]1CCCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C1 13677870 BURVJWBADZYIIL-ZDUSSCGKSA-N 407.363 3.452 0 40 HGAB CC(=O)Nc1cccc(NC(=O)CCCN(c2cc(C)ccc2C)S(C)(=O)=O)c1 14397472 JDPRDCQHRJYPOA-UHFFFAOYSA-N 417.531 3.447 0 40 HGAB COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)ccc1O 15049391 UTLAEJMAZZLLAV-SXGWCWSVSA-N 402.403 3.215 0 40 HGAB Cc1ccc(S(=O)(=O)Nc2ccc(-c3ccc(N4CCOCC4)nn3)cc2)c(C)c1 15882160 FFNHWXWUSIGRIW-UHFFFAOYSA-N 424.526 3.398 0 40 HGAB COc1ccc(-c2noc([C@@H]3CC(=O)N(c4ccc5c(c4)OCO5)C3)n2)cc1OC 16960084 OUWBYBTZHSIJPU-CYBMUJFWSA-N 409.398 3.003 0 40 HGAB Cc1cc(-c2cnc(N3CCOCC3)nc2C2CCN(Cc3ccco3)CC2)on1 19123253 LMPALOIGCMDISL-UHFFFAOYSA-N 409.490 3.249 0 40 HGAB Cc1ccc(-c2ccccc2C[C@H]2CN(C(=O)Cc3cccnc3)CCNC2=O)cc1 19212877 PTZVYPDMHFEXLJ-QHCPKHFHSA-N 413.521 3.417 0 40 HGAB Cc1ccccc1-n1nc(C)c(CC(=O)N2CCCC[C@@H]2CN2CCOCC2)c1C 19237568 FLOFVVKZYAKTOS-OAQYLSRUSA-N 410.562 3.053 0 40 HGAB O=C(Cc1ccc2c(c1)CCCC2)N1CCO[C@H](c2nc(-c3ccncc3)no2)C1 19345683 OADJRFDYCRSWBQ-FQEVSTJZSA-N 404.470 3.153 0 40 HGAB O=C1NCCN(C(=O)c2ccncc2)C[C@H]1Cc1ccc(-c2ccccc2F)cc1 19368411 PMVHQSOSYAMGMZ-HXUWFJFHSA-N 403.457 3.319 0 40 HGAB CCCN1C(=O)[C@](NC(=O)c2ccc(OC)cc2)(C(F)(F)F)N=C1c1ccccc1 19939419 CZGPQKWZEZELEP-FQEVSTJZSA-N 419.403 3.383 0 40 HGAB O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccccc2)N1CCCN1CCOCC1 20219644 VHFXXZCXQLECSF-NRFANRHFSA-N 404.466 3.061 0 40 HGAB CC[C@@H](C)[C@H](NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(Cl)cc1F)C(=O)OC 20721291 SQOPRNAXDWZKHQ-DPZKZMLUSA-N 422.888 3.447 0 40 HGAB Cc1cccc(C)c1N(CC(=O)NCCCc1ccccc1Cl)S(C)(=O)=O 22338518 DQVTWWVRHBDERT-UHFFFAOYSA-N 408.951 3.472 0 40 HGAB CC(C)C[C@@H](NC(=O)[C@H]1CN(S(C)(=O)=O)c2ccccc2O1)c1ccccc1 22527860 ICWZBGRJUOGBCI-YLJYHZDGSA-N 402.516 3.117 0 40 HGAB Cc1ccc(C)c(S(=O)(=O)NCCC(=O)Nc2ccccc2N2CCCC2)c1 22741301 YKBFXAVKEUJXAC-UHFFFAOYSA-N 401.532 3.211 0 40 HGAB CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)N1CCN(C/C=C/c2ccccc2)CC1 23718337 IYNFRXLKBCLIMX-SXAZAVRTSA-N 419.569 3.228 0 40 HGAB C[C@H](Oc1ccc(Br)cc1)C(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O 24020909 AGXOHNPTMYCURN-JTQLQIEISA-N 403.232 3.081 0 40 HGAB CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1C(=O)OCc1cccc(Cl)c1 24258832 AREKSOXCLXPBHW-UHFFFAOYSA-N 421.877 3.277 0 40 HGAB CCc1c(C(=O)NC2CCN(C(=O)c3ccoc3)CC2)cnn1-c1cccc(C)c1 24467620 XTKCJOOUICHORK-UHFFFAOYSA-N 406.486 3.371 0 40 HGAB O=C(Nc1cc2c(cc1Br)OCCO2)c1ccc(-n2ccnc2)nc1 24785741 ZPNORTMLEJCXOU-UHFFFAOYSA-N 401.220 3.053 0 40 HGAB COc1ccc(-n2cnnc2SCC(=O)N(C)CCOc2ccc(F)cc2)cc1 26552920 CHVDKTCIGZYEMK-UHFFFAOYSA-N 416.478 3.045 0 40 HGAB O=C(OCc1cc(=O)n2cc(Cl)ccc2n1)C(O)(c1ccccc1)c1ccccc1 26718360 IOEYPZYKNFTCKS-UHFFFAOYSA-N 420.852 3.327 0 40 HGAB CSc1nc(C)c(CCC(=O)N2CCC[C@H](c3nc4ccccc4o3)C2)c(=O)[nH]1 27379373 QBKZOJXFXWIAIR-AWEZNQCLSA-N 412.515 3.280 0 40 HGAB CS(=O)(=O)c1ncc(Br)c(-c2nnc(-c3ccccc3Cl)o2)n1 28287723 AOURMZUDMNMKKF-UHFFFAOYSA-N 415.656 3.013 0 40 HGAB C[C@]12CCC(=O)N1c1ccccc1C(=O)N2CCC(=O)N1CCCc2ccccc21 29736116 ORFDSEBKQPSHSD-XMMPIXPASA-N 403.482 3.355 0 40 HGAB Cc1cc(C)cc(OCCN(C)S(=O)(=O)c2ccc(N3CCCC3=O)cc2)c1 31074113 QBAXMWZFWPHGBM-UHFFFAOYSA-N 402.516 3.130 0 40 HGAB Cc1nc2c(-c3cccs3)nc(=O)n(CC(=O)N3CCc4ccccc43)c2s1 32615808 RQPIGNDVFIULNX-UHFFFAOYSA-N 408.508 3.479 0 40 HGAB C[C@H](NC(=O)c1cc(-c2cccs2)n([C@@H]2CCS(=O)(=O)C2)n1)c1ccccc1 33325348 UXUCWBSJPKBFHE-GOEBONIOSA-N 415.540 3.462 0 40 HGAB CC(C)C[C@H](C(=O)N1CCN(Cc2ccccc2)CC1)N1C(=O)c2ccccc2C1=O 33374754 SSEYJCGJEQNUNH-JOCHJYFZSA-N 419.525 3.042 0 40 HGAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)NCc2ccccc2Cl)cc1C 39986165 SQESPSGQERULHL-UHFFFAOYSA-N 424.950 3.374 0 40 HGAB CCOc1cc(CN(C)[C@H](C)C(=O)Nc2ccc(C(N)=O)cc2)ccc1OC(F)F 40086161 BEWBRFSJNCAAJP-CYBMUJFWSA-N 421.444 3.245 0 40 HGAB CC(C)c1c(C(=O)N2CCC[C@H](C(=O)Nc3nccs3)C2)cnn1-c1ccccn1 40150336 FSRRWHLPRGOSOB-HNNXBMFYSA-N 424.530 3.338 0 40 HGAB CCCSc1ncc(Br)c(C(=O)NCCC(=O)Nc2ccccc2)n1 46086418 YFEGLPSEAVQEKJ-UHFFFAOYSA-N 423.336 3.500 0 40 HGAB COc1cccc(CNC(=O)c2nnn(-c3ccccc3F)c2-c2cccnc2)c1 49003720 QGYORMYTOUHTQH-UHFFFAOYSA-N 403.417 3.407 0 40 HGAB Cc1ccc(NC(=O)Cn2c(C)nc3c(c2=O)CN(Cc2cccc(C)c2)CC3)cc1 49400926 RCGVRFCRBAQAAV-UHFFFAOYSA-N 416.525 3.366 0 40 HGAB O=S(=O)(c1ccccc1OC(F)(F)F)N1CCN(c2ccc(F)cc2)CC1 55275501 KQUPYCKCGMXNRS-UHFFFAOYSA-N 404.385 3.235 0 40 HGAB O=C(COc1coc(CN2CCN(c3ccccc3)CC2)cc1=O)c1ccccc1 56949903 SHWCYWSWKVSMET-UHFFFAOYSA-N 404.466 3.224 0 40 HGAB CCc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2CCOC)cc1 57478543 AUFYJUPSHSCRNV-UHFFFAOYSA-N 403.529 3.398 0 40 HGAB CN(C)S(=O)(=O)N1CCC[C@H](c2nccnc2-c2cccc(C(F)(F)F)c2)C1 72358787 ONTKIGRWKIMNPE-AWEZNQCLSA-N 414.453 3.148 0 40 HGAB C[C@@H](CC(=O)NC1CCN(CC2(c3cccc(F)c3)CCCC2)CC1)n1cncn1 72393452 WLTWJHKEASXPQE-SFHVURJKSA-N 413.541 3.461 0 40 HGAB O=S(=O)(c1ccccc1N1CCC(c2nncn2C2CC2)CC1)C(F)(F)F 84505983 NLIKNQDDNGYTKU-UHFFFAOYSA-N 400.426 3.291 0 40 HGAB Cc1nc(-c2ccc(S(=O)(=O)Nc3cccc(-n4nnnc4C)c3)s2)cs1 89740995 IAMMHLBATVLSOT-UHFFFAOYSA-N 418.529 3.265 0 40 HGAB COc1ccc(N2CCC(C(=O)NCCc3c[nH]c4ccc(Cl)cc34)CC2)nn1 95476665 QAVUUBZATINKPI-UHFFFAOYSA-N 413.909 3.195 0 40 HGAB COc1ccc(-c2noc([C@@H](C)NC(=O)c3ccc4c(c3)OCO4)c2C(=O)O)cc1 96296929 SSPFJUDCUBIIAE-LLVKDONJSA-N 410.382 3.268 0 40 HGAB biogenic,in-vitro COc1cccc([C@H](CNS(=O)(=O)c2ccccc2Br)OC)c1 96390353 OAJZFSCWULJGGN-HNNXBMFYSA-N 400.294 3.124 0 40 HGAB C[C@H](c1cccc(N2CCOC2=O)c1)N1CCN(Cc2cn3ccccc3n2)CC1 97165349 GLURAXWGFHBTMA-GOSISDBHSA-N 405.502 3.170 0 40 HGAB Cc1ccc(-n2nc3c4cc(C(=O)NC[C@H]5CCCO5)ccc4[nH]cc-3c2=O)cc1 101281964 UQRRCPFWBMMTIC-QGZVFWFLSA-N 402.454 3.036 0 40 HGAB COc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)Nc3cccc(C)n3)CC2)cc1 101509228 FWASRYNHXBXLTB-CALCHBBNSA-N 417.531 3.122 0 40 HGAB CC(=O)NC12C[C@H]3C[C@H](C1)CC(C(=O)OCC(=O)N[C@H](C)c1ccc(F)cc1)(C3)C2 102788245 WLEAFJWIUTUUNB-FWBKARCXSA-N 416.493 3.021 0 40 HGAB Cc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3cccc(Cl)c3)CC2=O)cc1C 107307577 MUVVVBFVPDUNJK-HNNXBMFYSA-N 400.862 3.492 0 40 HGAB Cc1ccc(CNC(=O)[C@@H](C)NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 107855936 IUFZPVMTEGZTIK-GFCCVEGCSA-N 401.315 3.285 0 40 HGAB CCOc1ccc(N(CCCC(=O)Nc2ccccc2OC)S(C)(=O)=O)cc1 113961728 YWJFXLKAYSRAHG-UHFFFAOYSA-N 406.504 3.279 0 40 HGAB O=C(Nc1cccc(Cl)c1)[C@H]1[C@H]2C=C[C@@]3(CN(CCc4ccccc4)C(=O)[C@H]13)O2 141498912 NXSSGYPVVHRRQW-NVJIOZQYSA-N 408.885 3.303 0 40 HGAB Cc1ccc(C)c(N(Cc2ccc(C(=O)NC[C@@H]3CCCO3)cc2)S(C)(=O)=O)c1 222581858 KSZMMWRNRHFNFT-FQEVSTJZSA-N 416.543 3.178 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)Nc1ccccc1C 223316431 ZWPFXRMRMNYMQE-UHFFFAOYSA-N 402.516 3.359 0 40 HGAB Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NCCc3ccccc3)o2)cc1 223402235 ALFFKIVGEYAFIT-UHFFFAOYSA-N 412.511 3.381 0 40 HGAB CCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)COc1ccccc1OC 223843591 KMCGIIKGHMXJFM-INIZCTEOSA-N 402.466 3.157 0 40 HGAB Cc1ccc(C)c(OCCNC(=O)CCCN(c2ccccc2C)S(C)(=O)=O)c1 224037521 ISAORDFWEXZGSA-UHFFFAOYSA-N 418.559 3.353 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NC(C)(C)CC(C)(C)C)C2)cc1 224215407 RPFJOSVCHHPNIE-MRXNPFEDSA-N 410.580 3.427 0 40 HGAB CCc1ccc(N(CCCC(=O)NCCOc2ccccc2C)S(C)(=O)=O)cc1 224747131 RMKYKSDAQXXOPJ-UHFFFAOYSA-N 418.559 3.299 0 40 HGAB Cc1ccc(CN(CC(=O)NCCCc2ccccc2Cl)S(C)(=O)=O)cc1 224790137 VSZRJRHBSMWZPU-UHFFFAOYSA-N 408.951 3.159 0 40 HGAB O=C(Cc1ccc2c(c1)OCO2)NC1CCN(c2cc(-c3cccs3)[nH]n2)CC1 225756449 MFLSJCXXLSXYEA-UHFFFAOYSA-N 410.499 3.195 0 40 HGAB COc1ccc(NC(=O)CN2CCC(c3cccc(Nc4cnccn4)n3)CC2)cc1 257236752 HDPMEPBBTJXFRT-UHFFFAOYSA-N 418.501 3.442 0 40 HGAB COc1nc(OC)nc(N2CCC(C)(c3ncc(Cc4ccccc4F)o3)CC2)n1 257321408 WBOHTZLQVBNWOH-UHFFFAOYSA-N 413.453 3.165 0 40 HGAB CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)N[C@@H](C)CC)CC1 408559766 YQWMTKLUWVTKJC-ZDUSSCGKSA-N 402.944 3.054 0 40 HGAB Cc1cc(C)cc(N([C@H](C)C(=O)NCCSc2ccccc2)S(C)(=O)=O)c1 409412407 WEALTDDUYCFATK-QGZVFWFLSA-N 406.573 3.366 0 40 HGAB Cc1ccc2nc(CN3CCC[C@@H](NC(=O)CCCc4ccccc4)C3)cc(=O)n2c1 510642987 FBACPTRVSRSAMB-OAQYLSRUSA-N 418.541 3.106 0 40 HGAB CC(=O)N1CCCN(CC(C)C)CCN(C(=O)c2cncnc2C)Cc2ccccc21 2037916215 VTVKJSWWMZNHGW-UHFFFAOYSA-N 423.561 3.142 0 40 HGAB O=C(COc1ccccc1Cl)OCCCNC(=O)c1cc2ccccc2oc1=O 1916533 PZIZJYXYRHVGPA-UHFFFAOYSA-N 415.829 3.189 0 40 HGAB CC(C)Oc1cccc(-c2nnc(SCC(=O)Nc3ccc(F)cc3)n2N)c1 2265335 BUSOGANAAFEPLO-UHFFFAOYSA-N 401.467 3.316 0 40 HGAB CN(C)CCn1c(=O)n(CCc2ccccc2)c(=O)c2c3c(sc21)CCCCC3 2432210 BRJDKJWQJQJTKZ-UHFFFAOYSA-N 411.571 3.298 0 40 HGAB NC(=O)N[C@@H](CC(=O)OCC(=O)Nc1ccc2c(c1)CCC2)c1ccc(Cl)cc1 2647978 HPABKGPGLIWYBP-SFHVURJKSA-N 415.877 3.110 0 40 HGAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)OCC(=O)NC(=O)NC1CCCC1 2651611 DJQITQNTZVEHAF-UHFFFAOYSA-N 423.828 3.368 0 40 HGAB CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccccc2OC(F)F)c1 3538465 ROYBIWNYQDVQTI-UHFFFAOYSA-N 404.822 3.444 0 40 HGAB CCOc1ccccc1C(=O)Nc1c2c(nn1-c1ccc(OC)cc1)C[S@@](=O)C2 4105751 WXLIXYVNZZCUIV-GDLZYMKVSA-N 411.483 3.294 0 40 HGAB COc1ccccc1NC(=O)Cn1c(=O)n(-c2ccc(C)cc2)c(=O)c2ccccc21 4904848 ABFUPRCBMLTGFU-UHFFFAOYSA-N 415.449 3.108 0 40 HGAB COc1ccc2c(c1)c1nc3n(c(=O)c1n2CC(=O)Nc1ccccc1)CCS3 5484463 DYVBRUXIVNDNHM-UHFFFAOYSA-N 406.467 3.104 0 40 HGAB CC(C)[C@H](OC(=O)c1cccnc1Sc1ccc(Cl)cc1)C(=O)NC(N)=O 5683566 DWGIWPRGZAXQKL-AWEZNQCLSA-N 407.879 3.263 0 40 HGAB CC(C)[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)NCc1ccccc1 6389695 VMTOXZLZDPGPOA-QGZVFWFLSA-N 414.449 3.325 0 40 HGAB CC[C@H](C)N(C(=O)COc1ccc(Cl)c2cccnc12)[C@H]1CCS(=O)(=O)C1 8195928 SDDIIPMSSCHGTB-KBPBESRZSA-N 410.923 3.081 0 40 HGAB O=C(CSc1nnnn1C1CCCC1)N1CCC(c2nc3ccccc3o2)CC1 8404610 ZVLYFUPHRLEZGD-UHFFFAOYSA-N 412.519 3.428 0 40 HGAB COC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)Nc2ccccc2Cl)cc1 8413640 PLKRGGFKSMGBJA-UHFFFAOYSA-N 418.833 3.027 0 40 HGAB Cc1ccc(N2C[C@@H](CNS(=O)(=O)c3ccc(Br)cc3)CC2=O)cc1 9036936 HZZSHNWGGPLTOH-CQSZACIVSA-N 423.332 3.089 0 40 HGAB O=C(NC[C@@H]1CN(c2ccc3c(c2)OCO3)C(=O)O1)c1ccccc1C(F)(F)F 9120950 GNFZOQTXYDWBHA-GFCCVEGCSA-N 408.332 3.189 0 40 HGAB CCOc1cc(C(=O)Nc2ccc3c(c2)C(=O)NCCO3)cc(OCC)c1OCC 9171970 RZVTVFQRTTVZNG-UHFFFAOYSA-N 414.458 3.257 0 40 HGAB O=C(CCN1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O)NCCCn1ccnc1 9187656 NOSYVNFXCRIAIM-VBKFSLOCSA-N 418.906 3.169 0 40 HGAB COc1cccc(/C=C/C(=O)OCc2cc(=O)n3cc(Br)ccc3n2)c1 9284521 IIDNHTLOXBLQHU-VMPITWQZSA-N 415.243 3.222 0 40 HGAB COc1ccc(S(=O)(=O)CC(=O)Nc2nc3c(s2)COc2ccccc2-3)cc1 10219347 MXLZMPIWBNMSRK-UHFFFAOYSA-N 416.480 3.124 0 40 HGAB C[C@H](OC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1cccc(F)c1)C(N)=O 11517906 MJCSXORKRVTNRG-AWEZNQCLSA-N 418.428 3.316 0 40 HGAB Cc1cc2nc(C3CCN(C[C@@H](C)Cc4ccc5c(c4)OCO5)CC3)cc(N)n2n1 12121553 ASQKEZSKTSASJV-HNNXBMFYSA-N 407.518 3.407 0 40 HGAB Cc1nc2c(c(=O)n1CC(=O)Nc1ccc(F)cc1F)CCN(Cc1ccccc1)C2 12186300 PAOWFIJAFVSFFP-UHFFFAOYSA-N 424.451 3.027 0 40 HGAB COc1cccc(O[C@@H](C)C(=O)N2CCC(c3noc(-c4cnc(C)cn4)n3)CC2)c1 12187497 BERXLOCGIFROKN-HNNXBMFYSA-N 423.473 3.017 0 40 HGAB Cc1nccn1[C@H](C)CC(=O)N1CCC[C@@H](c2nc3ccccc3cc2C(N)=O)C1 12221637 GGEHCOGTQONVSV-CRAIPNDOSA-N 405.502 3.196 0 40 HGAB Cc1ccc2c(c1)C(=O)C[C@@H]([C@@H]1CCCN(C(=O)c3cc(-c4cnn(C)c4)no3)C1)O2 12237145 KDJOFUQHVKTZMU-VFNWGFHPSA-N 420.469 3.270 0 40 HGAB Cc1cc(C)c(NC(=O)CN(C)C(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)c(C)c1 12984945 XBFNBBUIQXHHGR-FQEVSTJZSA-N 407.514 3.057 0 40 HGAB CCOC(=O)Cc1csc(NC(=O)[C@H]2CC(=O)N(c3cccc4ccccc34)C2)n1 13001481 ZHALFUWVUVSVOV-HNNXBMFYSA-N 423.494 3.394 0 40 HGAB CCOC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OCC)[C@H]1c1ccc(C(C)(C)C)cc1 13564204 WQOSIFNKORDPQG-YWNPBTLJSA-N 404.503 3.150 0 40 HGAB Cc1ccc([C@@H](NC(=O)C[C@@H]2C(=O)NCCN2C2CCCC2)c2ccncc2)cc1C 19213518 KLXJHJNOELDXIP-VWNXMTODSA-N 420.557 3.037 0 40 HGAB Cc1ccc2c(c1)C(=O)N(CC(=O)N1[C@H](C)CCC[C@H]1C)CC1(CCN(C)CC1)O2 19218467 SHTBAZSEAGKXML-RTBURBONSA-N 413.562 3.084 0 40 HGAB COc1cc(OC)c(OC)cc1CN1[C@H]2CC[C@@H]1c1cnc(N3CCCC3)nc1C2 19594952 PCQKUMLKSRQUML-QFBILLFUSA-N 410.518 3.364 0 40 HGAB Cc1cccc(N(C)CCC(=O)Nc2cccc(N3CCCCS3(=O)=O)c2)c1 19660396 GRPHEPBDMDPFHK-UHFFFAOYSA-N 401.532 3.390 0 40 HGAB O=C1CCCN1Cc1cccc(C(=O)N2CCN(c3nc4ccccc4s3)CC2)c1 19660472 QXQWNDBVKVGBOZ-UHFFFAOYSA-N 420.538 3.381 0 40 HGAB CCOc1ccc(NC2CCN([C@H]3CC(=O)N(c4cccc(OC)c4)C3=O)CC2)cc1 20176885 RAVROXPFZZFPRP-QFIPXVFZSA-N 423.513 3.302 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)COc1ccc(C)c(C)c1 20492600 AIBDUMMOJHETJX-UHFFFAOYSA-N 418.515 3.114 0 40 HGAB Cc1cc(C)c([C@H](C)NC(=O)/C=C/c2ccc(CN(C)S(C)(=O)=O)o2)cc1C 22606215 QYEUAPDWNGYGMM-FVNWOWOISA-N 404.532 3.487 0 40 HGAB CCOc1ccc(NC(=O)CN2CCN(Cc3ccccc3F)CC2)cc1OCC 22834495 PYFFAFDZVHIWTH-UHFFFAOYSA-N 415.509 3.379 0 40 HGAB C[C@H]1CN(C(=O)[C@@H](C)N2CCN(C(c3ccccc3)c3ccccc3)CC2)C[C@@H](C)O1 22916879 XBFRELWUKAWEQY-BHIFYINESA-N 421.585 3.418 0 40 HGAB COc1cccc(C(=O)N(CCN2CCOCC2)c2nc3c(F)cccc3s2)c1 22998279 KCNCFIPAEJFDQM-UHFFFAOYSA-N 415.490 3.423 0 40 HGAB C/C=C/c1ccc(OC[C@H](O)CN2CCN(c3ccccc3OC)CC2)c(OC)c1 23115563 GFJKXMLUPKKHHD-WWPOYFSUSA-N 412.530 3.299 0 40 HGAB O=c1c2ccccc2nc(CN2CCOCC2)n1Cc1nc(-c2cccs2)cs1 23956232 PAUNITPUCRIBGS-UHFFFAOYSA-N 424.551 3.462 0 40 HGAB Cc1cccc(CS(=O)(=O)N2CCC(C(=O)Nc3ccc(F)c(F)c3)CC2)c1 24612153 MGXCUDSXHXOFRX-UHFFFAOYSA-N 408.470 3.454 0 40 HGAB Cc1ccc(N2C(SCCOc3ccccc3)=N[C@H]3CS(=O)(=O)C[C@@H]32)c(C)c1 32640654 BJGQCMANGQNAJT-ICSRJNTNSA-N 416.568 3.457 0 40 HGAB CC(C)(C)c1ccc(/C=C/C(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)cc1 32909307 BDQDXQOSLMNANK-IEJDHCNXSA-N 405.560 3.192 0 40 HGAB COc1cc2c(cc1OC)CN(Cc1cc(=O)c(OCC(=O)C(C)(C)C)co1)CC2 36370057 JUFWAAUDORMALR-UHFFFAOYSA-N 415.486 3.209 0 40 HGAB biogenic CNc1snc(C)c1C(=O)N1CCC(C(=O)NCc2ccc(C)c(F)c2)CC1 40113922 VOQSDNCPFGKQAA-UHFFFAOYSA-N 404.511 3.109 0 40 HGAB CCN(CC)C(=O)c1ccc(NC(=O)C2=NN(Cc3ccc(F)cc3)C(=O)CC2)cc1 40140885 LLDLDKCJIMAOHA-UHFFFAOYSA-N 424.476 3.425 0 40 HGAB Cc1nc(Cc2ccc(F)cc2)sc1C(=O)N[C@H]1CCCN(c2ncccn2)C1 40145641 HGKXRKRWFVJINJ-KRWDZBQOSA-N 411.506 3.370 0 40 HGAB COc1ccc(OC)c([C@@H]2c3[nH]cnc3CCN2C(=O)Nc2cccc(C(=O)O)c2)c1 40310303 NFGXGGZEZBHTBW-HXUWFJFHSA-N 422.441 3.305 0 40 HGAB biogenic O=C(Nc1ccc(-n2cccn2)nc1)[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 45946722 JLSGQWWIOMQRDG-GXYHREHHSA-N 419.529 3.413 0 40 HGAB Cc1ccc(S(=O)(=O)NC[C@@H](c2ccc(F)cc2)N2CCOCC2)c(Cl)c1 48333727 YNYYUBFLZBXAEG-SFHVURJKSA-N 412.914 3.139 0 40 HGAB CSc1cccc(-n2ccc(=O)c(-c3nc(-c4ccc5c(c4)OCO5)no3)n2)c1 49006382 SBYRYTSUVVBONZ-UHFFFAOYSA-N 406.423 3.400 0 40 HGAB O=C(Cc1ccc(F)cc1)NC1CCN(C(=O)c2cc(-c3ccc(F)cc3)n[nH]2)CC1 49406601 LRGQIDSYPZDNTN-UHFFFAOYSA-N 424.451 3.318 0 40 HGAB CCC[C@H](C)NC(=O)[C@@H]1CCCN(C(=O)CCc2nnc(-c3ccsc3)o2)C1 50733050 KCHHJVJPRFRIIA-LSDHHAIUSA-N 404.536 3.274 0 40 HGAB CC(C)CCn1c(=O)c2sccc2n(CC(=O)N[C@@H]2CCc3ccccc32)c1=O 57426702 RZXNFDXSALSAPE-QGZVFWFLSA-N 411.527 3.075 0 40 HGAB COCCn1nnnc1[C@@H](c1cccs1)N(Cc1cccnc1)Cc1ccco1 57613994 VZWZRGZCFVSRRK-LJQANCHMSA-N 410.503 3.161 0 40 HGAB O=C(NCC1(c2cccc(Br)c2)CCC1)N1CCN(C(=O)C2CC2)CC1 57869530 GCPAUTOGMUEJDJ-UHFFFAOYSA-N 420.351 3.135 0 40 HGAB COCCCN(C)C(=O)c1ccccc1N(C)C(=O)c1ccc(Br)o1 58052838 KGXUOUUAEUFQNE-UHFFFAOYSA-N 409.280 3.427 0 40 HGAB CCOC(=O)[C@](C)(NCC(=O)N1N=C(c2ccco2)C[C@H]1c1ccco1)C(C)C 72308601 BKZMGJSMYVXBBE-HRAATJIYSA-N 401.463 3.118 0 40 HGAB O=S(=O)(c1ccc(F)cc1)N1CCN(C2CCCC2)C[C@@H](Cc2ccccn2)C1 72355122 PKCDOZCPJLZKLF-GOSISDBHSA-N 417.550 3.329 0 40 HGAB COc1cccc(CCC(=O)N2CCC[C@H](c3nc(C)ncc3-c3noc(C)n3)C2)c1 72356441 VDIFNHHCFBVLRU-SFHVURJKSA-N 421.501 3.491 0 40 HGAB COC(=O)c1nc(NC(=O)[C@H](C)N2Cc3ccccc3C2=O)sc1CC(C)C 79493187 KDTNTWWEHYQEHY-LBPRGKRZSA-N 401.488 3.111 0 40 HGAB N#CC(C#N)=c1s/c(=C\c2csc3ccccc23)c(=O)n1Cc1cccs1 95347471 QNVNWUPOAOEPQS-LSCVHKIXSA-N 405.529 3.261 0 40 HGAB Nn1c(SCc2nc(O)cc(C(F)(F)F)n2)nnc1-c1ccccc1Cl 95441017 SYIYTWRRLRUPHK-UHFFFAOYSA-N 402.789 3.119 0 40 HGAB COc1ccc2nc(NC(=O)C[C@H]3N=C(O)N(CCc4ccccc4)C3=O)sc2c1 95480274 CGEFEQCUSLDMLK-MRXNPFEDSA-N 424.482 3.001 0 40 HGAB OCC[C@H](Nc1ccc2nnc(C(F)(F)F)n2n1)c1ccccc1Br 96005735 DVHCQAUPBWLLJW-NSHDSACASA-N 416.201 3.441 0 40 HGAB CCCc1cc(=O)[nH]c(SCC(=O)/N=c2/sccn2Cc2ccc(C)cc2)n1 102914921 DUTSKCLXUDZNSS-BSYVCWPDSA-N 414.556 3.162 0 40 HGAB O=C(N[C@@H]1C[C@H]2CC[C@H]1C2)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2Cl)C1 105864640 YZBKVDPEILMMTR-YIOZNXECSA-N 410.967 3.187 0 40 HGAB CCSc1ccccc1C(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 219646978 XICRETWVGVQEPZ-UHFFFAOYSA-N 404.557 3.254 0 40 HGAB CC[C@@H](C(=O)NCCSCc1ccco1)N(c1cccc(C)c1)S(C)(=O)=O 220504937 ZVFSXFBROKUMSQ-SFHVURJKSA-N 410.561 3.182 0 40 HGAB CCOC(=O)c1ccc(NC(=O)[C@H](CC)N(c2ccccc2F)S(C)(=O)=O)cc1 220586857 SMSHNPQUHKEGNC-KRWDZBQOSA-N 422.478 3.186 0 40 HGAB CCCCNC(=O)c1ccccc1NC(=O)c1cccc(N(C)S(C)(=O)=O)c1C 222434672 OSGAEIXIZFLNTD-UHFFFAOYSA-N 417.531 3.173 0 40 HGAB CCOc1cccc(CNC(=O)c2ccc(C)c(N3CCCCS3(=O)=O)c2)c1 222574037 AQHOTXNWBPUXCZ-UHFFFAOYSA-N 402.516 3.254 0 40 HGAB CC(=O)N(C)c1ccc(S(=O)(=O)Nc2ccc(Br)cc2F)cc1 223270796 VNGKMSLARMHNNY-UHFFFAOYSA-N 401.257 3.372 0 40 HGAB Cc1cc(C)c([C@H](C)NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1C 223477640 CBJQXSDAUMKGBW-SFHVURJKSA-N 416.543 3.124 0 40 HGAB CC(C)c1ccccc1OCCNC(=O)[C@@H](C)N(c1ccccc1)S(C)(=O)=O 223758762 XUIBGQYTTJZCDN-QGZVFWFLSA-N 404.532 3.160 0 40 HGAB Cc1cc(C)cc(N([C@H](C)C(=O)NCCOc2ccc(C)cc2C)S(C)(=O)=O)c1 223894842 FFAGWTZNVRIBDH-LJQANCHMSA-N 418.559 3.270 0 40 HGAB O=S(=O)(c1ccc(OCCNC(=S)Nc2ccccc2)cc1)N1CCCCC1 224354241 PXOGMOYTSAUHJR-UHFFFAOYSA-N 419.572 3.227 0 40 HGAB CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N(C)Cc1ccc(C)cc1 224677166 NCLFFDGGOZAQKM-HXUWFJFHSA-N 404.532 3.207 0 40 HGAB CC(C)(C)C(=O)Nc1nnc(S(=O)(=O)Nc2ccccc2C(F)(F)F)s1 224733273 AELLNNSYXBWOKZ-UHFFFAOYSA-N 408.427 3.342 0 40 HGAB CCOC(=O)c1ccc(N(C)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1Cl 224844884 ZPCTXMPDNLCXIC-UHFFFAOYSA-N 411.863 3.113 0 40 HGAB CCOc1ccc(-c2noc(CN(C)S(=O)(=O)c3ccc(F)cc3C)n2)cc1 225600765 ABWCUMGCRODQPN-UHFFFAOYSA-N 405.451 3.404 0 40 HGAB CCn1c(=O)sc2cc(S(=O)(=O)N[C@H](C)c3cc(OC)ccc3OC)ccc21 225701066 PAHYWFWXNAICMB-GFCCVEGCSA-N 422.528 3.140 0 40 HGAB Ic1ccc(Nc2ncnc3c2cnn3C2CCNCC2)cc1 228932177 ZBVHEEXVSLIPLH-UHFFFAOYSA-N 420.258 3.099 0 40 HGAB C[C@H]1CCCN(c2cc(C(=O)N(C[C@H]3CCCO3)C3CCN(C)CC3)ccn2)C1 248100391 DOQWFNZBIGCUGX-GHTZIAJQSA-N 400.567 3.033 0 40 HGAB COc1cccc([C@]2(O)CCC[C@@H]3CN(C(=O)c4ccc(-n5cnnc5)cc4)C[C@H]32)c1 248244717 LHIGPQKPJOLXIY-IHLLOCCUSA-N 418.497 3.036 0 40 HGAB Cc1ncc(-c2nccnc2C2CCN(C(=O)c3ccc4[nH]cnc4c3)CC2)n1C 257239504 HPPKBKJVIZHBTP-UHFFFAOYSA-N 401.474 3.082 0 40 HGAB CCOc1ccc(C=c2sc3nc(-c4ccccc4OC)nn3c2=O)cc1OCC 263630788 HXCCZKZMBLHOFA-UHFFFAOYSA-N 423.494 3.172 0 40 HGAB CCCS(=O)(=O)N1CCC[C@@H](c2nc3ccc(-c4cccc(OC)c4)cn3n2)C1 306123265 AIUVLSQNTGFSDU-GOSISDBHSA-N 414.531 3.324 0 40 HGAB Cc1ccc(CN2CCC3(CC2)CN(C(C)C)[C@@H](C(=O)N(C)C)c2cncn23)cc1C 306141693 WEDYNSPETDNYLO-HSZRJFAPSA-N 423.605 3.345 0 40 HGAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)N[C@H](C)CCc2ccccc2)cc1C 408602764 FPBCYDFUWUTWGO-QZTJIDSGSA-N 418.559 3.198 0 40 HGAB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(Br)ccc2OC)C1=O 409016781 VRRXGSVIGLMFQE-TVNQGELYSA-N 414.277 3.446 0 40 HGAB Cc1cnn(CCC(=O)N2CCOC[C@H]2c2c(C)nn(Cc3ccccc3)c2C)c1 501157987 CZWCNJAUBMTMLW-NRFANRHFSA-N 407.518 3.043 0 40 HGAB COc1cc(Cc2noc(C3(Cc4ccccc4F)CC3)n2)ccc1S(C)(=O)=O 574508372 RMPVJJOBXOFXHH-UHFFFAOYSA-N 416.474 3.486 0 40 HGAB Cc1sc2nc(CS[C@H](C)C(=O)NCCN3CCC[C@H](C)C3)nc(O)c2c1C 603756134 CZVZHFVNJVONRS-SWLSCSKDSA-N 422.620 3.484 0 40 HGAB Cc1nccn1CCC(=O)N1CCOCCOc2ccccc2Oc2ncccc2C1 643573731 LHHHIUOJUIGBTB-UHFFFAOYSA-N 422.485 3.207 0 40 HGAB Cc1ncnc(C(=O)N2CCC3(CC2)C[C@@H](C(=O)N2CCCC2)c2ccccc23)c1C 1565555461 AYPFYTPCCJWHRL-HXUWFJFHSA-N 418.541 3.377 0 40 HGAB Cc1c(C(=O)NC2CN(c3cc(C(F)(F)F)ccn3)C2)cnn1-c1ccccc1 1888901110 MPBBEKIJCVMJKW-UHFFFAOYSA-N 401.392 3.213 0 40 HGAB COC(=O)[C@](NNc1cccc(Cl)c1)(NC(=O)c1ccccc1F)C(F)(F)F 2050387 HDANODSLFYPPKQ-MRXNPFEDSA-N 419.762 3.257 0 40 HGAB CCCCSc1nc(N(CCO)CCO)c2c3c(sc2n1)COC(C)(C)C3 2442216 MODKDIZQOBMNNK-UHFFFAOYSA-N 411.593 3.226 0 40 HGAB Cc1ccc(C)c(C(=O)COC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)c1 2647226 LYWYDUUSKWFZDO-UHFFFAOYSA-N 421.540 3.192 0 40 HGAB O=C(COC(=O)c1ccccc1I)NCCC1=CCCCC1 3285551 BCJCZQBFPASTFU-UHFFFAOYSA-N 413.255 3.455 0 40 HGAB C[C@H](OC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)C(=O)Nc1ccccc1 3373051 QGTPZLPYTIWFNM-AWEZNQCLSA-N 418.405 3.260 0 40 HGAB COc1ccc(CCNC(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)cc1 3443810 FQIHBVJBOXNNIK-UHFFFAOYSA-N 424.522 3.493 0 40 HGAB CCOC(=O)CNC(=O)CSc1nc(C2CC2)nc2sc3c(c12)CC[C@@H](C)C3 4218030 XRXATWXWMFLTKT-LLVKDONJSA-N 419.572 3.465 0 40 HGAB O=C(CSc1nnc2ccc(-c3cccnc3)nn12)N1CCCc2ccccc21 4376988 WBPJVDCDVLXGBK-UHFFFAOYSA-N 402.483 3.258 0 40 HGAB O=C(CCC(=O)N1CCN(c2ccccn2)CC1)Nc1cccc(C(F)(F)F)c1 4700763 HZUKBXKGADEGEZ-UHFFFAOYSA-N 406.408 3.168 0 40 HGAB O=S(=O)(c1ccc2ccccc2c1)N(C[C@H](O)CN1CCCC1)c1ccccc1 5023383 XVHAYCWRZDGZFG-JOCHJYFZSA-N 410.539 3.492 0 40 HGAB CC(C)Oc1ccc(C(=O)N(Cc2ccc(F)cc2)[C@H]2CCS(=O)(=O)C2)cc1 5177509 GMYMYNQTUQOSBY-IBGZPJMESA-N 405.491 3.442 0 40 HGAB COc1cc2c(cc1OC)CN(C(=O)COC(=O)CCc1c[nH]c3ccccc13)CC2 5222816 AXQHNAPUNOKIKZ-UHFFFAOYSA-N 422.481 3.246 0 40 HGAB CCOC(=O)c1ccc2nc(NC(=O)c3cccc(S(C)(=O)=O)c3)sc2c1 5223155 VFLBBBYFUVKWEF-UHFFFAOYSA-N 404.469 3.129 0 40 HGAB CCOC(=O)c1nn(-c2ccccc2)c(=O)cc1OCC(=O)Nc1ccc(C)cc1C 5254973 ATSARIZDBANEFK-UHFFFAOYSA-N 421.453 3.044 0 40 HGAB O=C(N[C@@H]1CCSc2ccccc21)c1cccc(S(=O)(=O)N2CCCC2)c1 5425908 SYORIHQAOJLFFG-GOSISDBHSA-N 402.541 3.438 0 40 HGAB Cc1sc2ncnc(SCCN3C(=O)c4ccccc4S3(=O)=O)c2c1C 6113094 USXLYHGLICMYIK-UHFFFAOYSA-N 405.526 3.245 0 40 HGAB CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(O)cc1O 6325052 ISVHFZFKTQNYJI-KEBDBYFISA-N 402.248 3.405 0 40 HGAB Cc1ccc(NC(=O)Cc2nnc(SCC(=O)N[C@H]3CCCC[C@@H]3C)n2C)cc1 6476945 DEGPXNCASUOOEI-RDJZCZTQSA-N 415.563 3.092 0 40 HGAB C[C@H](Sc1nnc(-c2ccccc2F)n1N)C(=O)N[C@H]1CCCc2ccccc21 6532873 AEVQCAXCHUGASK-UGSOOPFHSA-N 411.506 3.472 0 40 HGAB Cc1ccc(F)cc1NC(=O)CCNS(=O)(=O)c1cccc(C(F)(F)F)c1 6942110 IIJWDKVFRRAORX-UHFFFAOYSA-N 404.385 3.460 0 40 HGAB O=C(Nc1ccc(N2CCN(C(=O)C(F)(F)F)CC2)cc1)c1cccnc1Cl 7496816 ISMJLVDKNGAKTM-UHFFFAOYSA-N 412.799 3.198 0 40 HGAB COc1ccccc1N1CCN(C(=O)[C@H]2CCCN(C(=O)Nc3ccccc3)C2)CC1 7752164 IJJSVKVKODXQSK-IBGZPJMESA-N 422.529 3.288 0 40 HGAB Cc1ccc(C(=O)NCC(=O)OCC(=O)c2ccc(NC(=O)CC(C)C)cc2)cc1 7985394 OUDRFAZBHCWYRN-UHFFFAOYSA-N 410.470 3.136 0 40 HGAB CCc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2[C@H]2CCS(=O)(=O)C2)cc1 8917068 RKDUWBXRFDRQCQ-JXFKEZNVSA-N 423.490 3.088 0 40 HGAB COc1ccc(NC(=O)NCCS(=O)(=O)c2c(C)[nH]c3ccccc23)c(OC)c1 8923895 ONFVYECCLDZBSF-UHFFFAOYSA-N 417.487 3.089 0 40 HGAB CC(=O)c1ccccc1OCCN1C(=O)N[C@](C)(c2ccc(OC(F)F)cc2)C1=O 8936632 ULBAVQPZNKDTCR-OAQYLSRUSA-N 418.396 3.337 0 40 HGAB COc1ccc(S(=O)(=O)Nc2ccccc2I)cc1OC 9352305 XDMSADOWTZHOES-UHFFFAOYSA-N 419.240 3.109 0 40 HGAB Cn1c(=O)n(C/C=C/c2ccccc2)c(=O)c2c1nc1n2CCCN1c1ccccc1 9518939 JOYGNDZBSBLRBW-XYOKQWHBSA-N 413.481 3.152 0 40 HGAB Cc1cc(-n2c(C)cc(C(=O)CSc3nnnn3Cc3ccccc3)c2C)no1 9871007 OJRCBXMPYUVRLY-UHFFFAOYSA-N 408.487 3.400 0 40 HGAB COc1cccc(OC)c1C(=O)OCC(=O)Nc1cc(C)nn1-c1ccc(F)cc1 10787305 QJHKFNMPGFLSHL-UHFFFAOYSA-N 413.405 3.133 0 40 HGAB COc1ccc(C(=O)OCc2coc(-c3cccs3)n2)cc1S(=O)(=O)N(C)C 10790634 PAVCJIKYOLGADL-UHFFFAOYSA-N 422.484 3.019 0 40 HGAB C[C@H]1Oc2ccccc2N(CCC(=O)N(C)Cc2cnn(Cc3ccccc3)c2)C1=O 11084155 DFHGFGVJVPOBAQ-GOSISDBHSA-N 418.497 3.094 0 40 HGAB COc1ccc(Cl)cc1COC(=O)[C@]12CCC(=O)N1c1ccccc1C(=O)N2C 11510344 AGQKZGNVDQVJMZ-NRFANRHFSA-N 414.845 3.001 0 40 HGAB COc1ccc2cc(C(=O)N3CCC([C@H](NC(C)=O)c4nccs4)CC3)[nH]c2c1 12365757 XOQHAHMJYSYALR-IBGZPJMESA-N 412.515 3.363 0 40 HGAB CCCCC(=O)N[C@]1(C(F)(F)F)C(=O)N(C2CCCCC2)C(C)=C1C(=O)OC 12419569 HWOMLEZUIJAFMY-SFHVURJKSA-N 404.429 3.216 0 40 HGAB CCOCCCNc1nnc(SCC(=O)NCCCN(C)c2ccccc2)s1 12537868 SOAGYGHWRNALHD-UHFFFAOYSA-N 423.608 3.111 0 40 HGAB COC(=O)/C=C/c1ccc(OS(=O)(=O)c2ccc(F)cc2Cl)c(OC)c1 12880616 NRJHJLFZIUDDPF-XBXARRHUSA-N 400.811 3.442 0 40 HGAB CC(C)C(=O)NCCNC(=O)c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1 12981430 OBNWKGUECRBKJI-UHFFFAOYSA-N 400.866 3.288 0 40 HGAB COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)/C=C/c1cc(F)cc2c1OCOC2 12992408 SVIFVSZFCRANPX-ROUKRRSUSA-N 424.428 3.087 0 40 HGAB CCCOc1c(Cl)cc(C(=O)Nc2ccc(S(=O)(=O)NC)cc2)cc1OC 13097156 LZHDALSZOUGTHE-UHFFFAOYSA-N 412.895 3.298 0 40 HGAB C[C@H]1C[C@@H](C)CN(CCCNS(=O)(=O)Cc2ccc(Br)cc2)C1 13670840 NXAMPIZTOZBHMO-GASCZTMLSA-N 403.386 3.237 0 40 HGAB CC(C)Cc1nc2oc3c(=O)n(CC(=O)N4CCCCC4)cnc3c2c2c1CCC2 13683063 XXKQMKMDGHZWSL-UHFFFAOYSA-N 408.502 3.237 0 40 HGAB COc1ccc(CSC2=N[C@H]3CS(=O)(=O)C[C@@H]3N2CCc2ccccc2)cc1 13692142 FKHKGDFJKYSBFG-PMACEKPBSA-N 416.568 3.008 0 40 HGAB COc1cccc(-c2nnn(CC(=O)N[C@H](c3ccccc3)c3cccs3)n2)c1 14094831 GTHLKCXBKASURD-HXUWFJFHSA-N 405.483 3.316 0 40 HGAB O=c1[nH]c2ccncc2n1-c1ccc(-c2ccc(-n3c(=O)[nH]c4cccnc43)cc2)cc1 16431599 RAMHLXYTBWVGTR-UHFFFAOYSA-N 420.432 3.408 0 40 HGAB CCCS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2nc3ccc(C)cc3s2)n1 16806333 NPQDHLVVCSEUMK-UHFFFAOYSA-N 410.908 3.484 0 40 HGAB O=C(CSc1nc(=O)n(Cc2ccco2)c2c1CCC2)Nc1ccc(F)cc1F 17169881 VUMDVOXKBRHOGG-UHFFFAOYSA-N 417.437 3.382 0 40 HGAB C[C@H](NC(=O)CCc1cn(C)c2ccccc12)c1cc(=O)[nH]c(-c2ccccn2)n1 19458409 KMTQOIMNEDASII-HNNXBMFYSA-N 401.470 3.134 0 40 HGAB COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1cnc(N2CCC[C@@H](C)C2)nc1)CC3 19496643 ZILOLCOWDOJRAW-OAHLLOKOSA-N 405.502 3.401 0 40 HGAB CCN1CCN(C(=O)[C@@H]2CCCO2)C[C@@H](Cc2cccc(-c3ccccc3)c2)C1=O 19527480 XXOBSAULWGKMNY-PKTZIBPZSA-N 406.526 3.382 0 40 HGAB COc1ccc([C@@H](c2nnnn2C(C)(C)C)N2CCN(c3ccccc3)CC2)cc1 20139472 TWRHETAIAOXKSJ-NRFANRHFSA-N 406.534 3.348 0 40 HGAB COc1ccc(NC(=O)C2CCN(c3ccc4nnc(C(C)C)n4n3)CC2)cc1OC 20745535 YXTPHRLFVXVQLI-UHFFFAOYSA-N 424.505 3.120 0 40 HGAB CCOc1ccc(-n2cc(C(=O)OCC(=O)OC(C)C)c3ccccc3c2=O)cc1 21359991 HMKDGDYMTMCAPD-UHFFFAOYSA-N 409.438 3.498 0 40 HGAB C[C@H]1C[C@@H](C)CN(Cc2csc(NC(=O)CCNC(=O)c3ccccc3)n2)C1 22292759 JJTZYKKOBJZXOW-IYBDPMFKSA-N 400.548 3.380 0 40 HGAB Cc1ccc(Cl)cc1N(CC(=O)NCCCc1ccc(F)cc1)S(C)(=O)=O 22336875 DWPGEVDWAKWPFR-UHFFFAOYSA-N 412.914 3.303 0 40 HGAB C[C@H]1CCC=C2C[C@H]3OC(=O)[C@H](CN4CCN(c5ccccc5)CC4)[C@H]3[C@H](O)[C@@]21C 22454339 MAJIMOBMGHQQSS-RIVFAIMISA-N 410.558 3.094 0 40 HGAB CCOC(=O)c1cc(NC(=O)Cc2ccc(NC(C)=O)cc2)cc(C(=O)OCC)c1 22904508 VOZDUDSOEUXLCP-UHFFFAOYSA-N 412.442 3.180 0 40 HGAB Cc1ccc(C(=O)N2CCN(Cc3nc4sc5c(c4c(=O)[nH]3)CCCC5)CC2)cc1 23057895 HKMPCTPHIXFYIF-UHFFFAOYSA-N 422.554 3.130 0 40 HGAB CC(C)C(=O)N1CCC[C@@H](C(=O)N[C@@H](c2ccc(Cl)cc2)c2nccn2C)C1 23189159 MREKQBNUWHBZKB-AEFFLSMTSA-N 402.926 3.174 0 40 HGAB COc1ccc(S(=O)(=O)NCC2(c3cccs3)CCOCC2)cc1Cl 23238673 LGWQTQQNLVLMAU-UHFFFAOYSA-N 401.937 3.437 0 40 HGAB CN(CC(=O)N1CCN(Cc2ccccc2F)CC1)Cc1ccccc1N1CCCC1 23761290 FOKFXFFJHNHJNR-UHFFFAOYSA-N 424.564 3.202 0 40 HGAB CN(C)S(=O)(=O)c1ccc2c(c1)CCN2Cc1cc(Cl)c2c(c1)OCCCO2 24512190 BRVHUBXCEFVSJP-UHFFFAOYSA-N 422.934 3.314 0 40 HGAB CCOc1ccccc1NC(=O)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1 24610051 KEMIKSFETXJOTO-UHFFFAOYSA-N 420.506 3.405 0 40 HGAB CCOc1ccccc1N1CCN(CC(=O)Nc2nnc(-c3ccccc3)s2)CC1 26439862 JQAOWNRIGNKCSS-UHFFFAOYSA-N 423.542 3.365 0 40 HGAB COc1cc(CCC2CCN(S(=O)(=O)N3CCC[C@H](C)C3)CC2)cc(OC)c1 27968062 UPIHMIVNQSUYHP-KRWDZBQOSA-N 410.580 3.325 0 40 HGAB O=C(NCc1ccc(C(F)(F)F)cc1)[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 29064454 FMJUEDWAFZFCSU-ZDUSSCGKSA-N 406.360 3.103 0 40 HGAB Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)NCC(=O)NC(C)(C)C 32045925 WSDPMOZICSASMH-UHFFFAOYSA-N 411.333 3.369 0 40 HGAB COc1cc2c(cc1OC)-n1c(S(=O)(=O)Nc3ccccc3Cl)cnc1C2 32611955 NUESRLYYDHASLU-UHFFFAOYSA-N 405.863 3.248 0 40 HGAB C[C@H](NC(=O)CCCNC(=O)c1ccc(F)cc1F)c1ccc2c(c1)OCCO2 32731317 WCNCSDBLCHBWRB-ZDUSSCGKSA-N 404.413 3.123 0 40 HGAB CCOc1ccc(NC(=O)c2ccc3c(c2)CCO3)cc1S(=O)(=O)N1CCCC1 32795942 HKGCCXSKXUMRSP-UHFFFAOYSA-N 416.499 3.057 0 40 HGAB Cc1ccc(Cn2nccc2NC(=O)C(=O)c2c(C)nn(-c3ccccc3)c2C)o1 32836085 OMMFPQPQPJGNQM-UHFFFAOYSA-N 403.442 3.457 0 40 HGAB CCn1c(=O)n(CCC(=O)Nc2cc3c(cc2Cl)OCCO3)c2ccccc21 32848220 UKLYQEWJOORLCC-UHFFFAOYSA-N 401.850 3.276 0 40 HGAB O=C(CSc1nnnn1CCc1cccs1)c1ccc2c(c1)OCCCO2 32858482 TUWBAXUMVFJPFZ-UHFFFAOYSA-N 402.501 3.114 0 40 HGAB Cc1nc2n(c(=O)c1C)CN(CCCN(C)C)CN2c1ccc(Cl)cc1Cl 38830177 LVZONFDWXBUXQY-UHFFFAOYSA-N 410.349 3.487 0 40 HGAB CCc1ccc(Cn2nccc2NC(=O)CN2C(=O)CCOc3ccccc32)cc1 39995617 DLTZQSCIMNMLPZ-UHFFFAOYSA-N 404.470 3.248 0 40 HGAB CN1C(=O)c2ccccc2[C@@H](C(=O)Nc2cccnc2)[C@@H]1c1ccc2c(c1)OCO2 40268349 FEVZCDGLFWVTNJ-RTWAWAEBSA-N 401.422 3.360 0 40 HGAB Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(O)ccc34)CC1)CCCC2 44699422 KMZACMPMNDRKFH-UHFFFAOYSA-N 408.502 3.157 0 40 HGAB in-vitro O=C(Nc1cccnc1-n1cccn1)N1CCN(c2ncc(Cl)cc2Cl)CC1 47542097 IKWNCRZAGHXQDK-UHFFFAOYSA-N 418.288 3.323 0 40 HGAB Cc1ccc(C(=O)NC2CCN(C(=O)c3cn(-c4ccccc4C)nn3)CC2)cc1C 49405900 VCKFVNCDTDPILQ-UHFFFAOYSA-N 417.513 3.227 0 40 HGAB Cc1nn(C)c(C)c1NC(=O)[C@@H](C)N1CCN(c2cccc(C(F)(F)F)c2)CC1 57752745 SJZGEQUEGNTFMX-OAHLLOKOSA-N 409.456 3.205 0 40 HGAB COc1ccc([C@H]2CCCN2CN2C(=O)NC3(CCC(C)CC3)C2=O)c(OC)c1 58173687 JEIWHUQEVQSMLO-GXPWMBGSSA-N 401.507 3.299 0 40 HGAB COC(=O)c1cc(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2)cc(C(=O)OC)c1 59271753 HIGXQNZYMZJHIT-UHFFFAOYSA-N 413.817 3.351 0 40 HGAB Cc1cccc(C)c1NC(=O)c1nnn(CC(=O)NCc2ccccc2Cl)c1C 71327099 GQOMIWZQKCQYSL-UHFFFAOYSA-N 411.893 3.425 0 40 HGAB CC[C@@H]1CN(Cc2ccccc2)CCN1C(=O)Cc1ccc(N2CCCC2=O)cc1 72303028 JIESTORFQQGAEV-JOCHJYFZSA-N 405.542 3.479 0 40 HGAB CS(=O)(=O)c1ccc(-c2c[nH]c([C@@H]3COCCN3Cc3ccccc3F)n2)cc1 72322001 SGWRWHFHIWUPOQ-FQEVSTJZSA-N 415.490 3.193 0 40 HGAB biogenic,in-vitro CNc1nc([C@H]2CCCCN2C(=O)CCc2ccccc2F)nc2c1CN(C)CC2 72372331 FBLMWOALAYOFEP-HXUWFJFHSA-N 411.525 3.332 0 40 HGAB O=C(C1CCC1)N1CCC[C@@H](c2nn(CCOc3ccccc3)c3nccnc23)C1 72395902 ODARDDZGAAVARX-GOSISDBHSA-N 405.502 3.411 0 40 HGAB CO[C@H](C)c1nc(CN2CCCN(C(=O)CO[C@H]3CCCC[C@@H]3C)CC2)cs1 79053971 QQYQSNBXQRKMFI-SCTDSRPQSA-N 409.596 3.480 0 40 HGAB O=C(CCN1C(=O)CC2(CCCC2)C1=O)NCCn1ccc2ccc(Cl)cc21 79475664 GLKVNBIGYVVVAF-UHFFFAOYSA-N 401.894 3.120 0 40 HGAB CCN(CC)C(=O)[C@@H]1Cn2ccnc2C2(CCN(Cc3ccc(C)s3)CC2)O1 96036869 KGTKTHULXQLWIN-SFHVURJKSA-N 402.564 3.012 0 40 HGAB COC(=O)C[C@H](C1=Cc2ccccc2OC1)c1c(O)nc2ccc(Cl)cn2c1=O 96115087 QEMJJXOSXGNHAS-OAHLLOKOSA-N 412.829 3.176 0 40 HGAB biogenic Cc1ccc(NC(=O)c2ccccc2NC(=O)C[C@@H](NCc2ccco2)C(=O)O)cc1 96305822 SVDCLGIGKRCPGR-HXUWFJFHSA-N 421.453 3.412 0 40 HGAB Cc1cc(O)n2nc([C@H]3CCCN(C(=O)C[C@H](C)n4nc(C)c(C)c4C)C3)cc2n1 100138036 GCGYYTAIIGUVPI-KSSFIOAISA-N 410.522 3.222 0 40 HGAB Cc1ccc(CN2[C@H]3CC[C@H]2CC(O)(Cn2nc(-c4ccccc4)ccc2=O)C3)o1 100737102 XHNSBZMBOWXYLY-PMACEKPBSA-N 405.498 3.370 0 40 HGAB COC(=O)[C@@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)c1ccc(Br)o1 206801935 UPPWLHWSXHLQRI-PWSUYJOCSA-N 412.211 3.016 0 40 HGAB CC[C@H](C(=O)NCCOc1ccc(C)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O 219107126 XWFMTEGJVZVZFL-LJQANCHMSA-N 424.950 3.388 0 40 HGAB CCOC(=O)c1cccc(NC(=O)[C@H](CC)N(c2ccccc2F)S(C)(=O)=O)c1 220603204 GDCCYOKIQNDFLJ-KRWDZBQOSA-N 422.478 3.186 0 40 HGAB CCc1ccc([C@@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1 223238248 HRSBEDJOOOXUON-QGZVFWFLSA-N 416.543 3.069 0 40 HGAB Cc1cccc(OCCNC(=O)[C@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)c1C 223920019 CENVJGPRMKLHBC-INIZCTEOSA-N 424.950 3.307 0 40 HGAB COC(=O)CSc1nnc(NC(=O)c2ccc(CN3CCC(C)CC3)cc2)s1 225837628 PZIJXUCHPCAKGU-UHFFFAOYSA-N 420.560 3.287 0 40 HGAB COc1ccc(NC(=O)[C@]23C[C@@H]2CN(c2ccc(C)cc2)S3(=O)=O)cc1Cl 225941531 NFQMPTHSPXYXMK-YJYMSZOUSA-N 406.891 3.204 0 40 HGAB CC(C)(C)CNC(=O)CCc1ccc(S(=O)(=O)NCCc2ccccc2)cc1 226052580 DXTPEYVJGYNEJU-UHFFFAOYSA-N 402.560 3.303 0 40 HGAB O=C(NC1CCN(Cc2ccccc2)CC1)c1cnc(O[C@@H]2CCOC2)c(Cl)c1 253408614 YJLJKYDPMBVRMN-LJQANCHMSA-N 415.921 3.297 0 40 HGAB COc1cccc2c1OC(C)(C)[C@H]1C[C@@H]3CN(C(=O)[C@H](N)C(C)C)CC[C@@H]3O[C@H]21 257233326 GOTSJEWLVKZHOB-SQRAORDBSA-N 402.535 3.144 0 40 HGAB Cc1cc(Nc2nncs2)cc([C@H]2CN(C(=O)c3sc(C)nc3C)CCO2)n1 257315688 VCKVOVBFDZRDTF-OAHLLOKOSA-N 416.532 3.272 0 40 HGAB Cc1cc(N2CCC[C@@](C)(c3ccc4c(N)c(C(=O)N(C)C)sc4n3)C2)ncn1 257319811 VUDXNIBSUVCBFT-OAQYLSRUSA-N 410.547 3.237 0 40 HGAB COc1cccc(N(CC(=O)N[C@H](C)C(C)C)S(=O)(=O)c2ccc(C)cc2)c1 260895193 IWOXEQMTNDHEOR-QGZVFWFLSA-N 404.532 3.360 0 40 HGAB Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)N[C@@H](C)C(C)C)Oc3cc(C)ccc32)cc1 260905616 RDRSJGUMTCAOQF-LAUBAEHRSA-N 416.543 3.420 0 40 HGAB Cn1nccc1[C@@H]1CN(Cc2nccs2)C[C@]12CCCN(Cc1ccccc1)C2=O 306145073 ZWZBHDHXEJPJMT-WMZHIEFXSA-N 421.570 3.285 0 40 HGAB CCCCOC(=O)c1ccc(NC(=O)CN(Cc2ccccc2)S(C)(=O)=O)cc1 408605309 GDQBHAUVJCAFHF-UHFFFAOYSA-N 418.515 3.044 0 40 HGAB CCn1c(SCC(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)nnc1-c1cccc(NC(C)=O)c1 408637484 KZHZHNHJIDPEOF-RLFYNMQTSA-N 413.547 3.320 0 40 HGAB C[C@@H]1C=CC[C@H]2C(=O)N(c3cccc(C(=O)Nc4ccc(C(=O)O)cc4)c3)C(=O)[C@H]12 408672904 PCVMGCAVISCKDN-UPRAQXHNSA-N 404.422 3.339 0 40 HGAB Cc1ccc(N(CC(=O)NCCSCc2ccco2)S(C)(=O)=O)cc1Cl 408923449 CROSFFLFUCNOKQ-UHFFFAOYSA-N 416.952 3.057 0 40 HGAB O=C(O)CN1C(=O)S/C(=C\c2ccccc2OCc2ccc(C(=O)O)cc2)C1=O 408961330 RPJCLPPZMSZWHD-SXGWCWSVSA-N 413.407 3.085 0 40 HGAB CCN1C(=O)/C(=C/c2cc(Br)c(O)c(Br)c2)N(C)C1=S 409035977 UXZWFJDXWABNLH-POHAHGRESA-N 420.126 3.337 0 40 HGAB O=C(N[C@@H]1C(=O)N/[N+](=C\c2ccc(Cl)cc2)[C@H]1c1ccccc1)c1ccccc1 409052742 HXWOXDUAHMBITL-UGYRXPJGSA-O 404.877 3.356 0 40 HGAB COc1cccc(/C=C2\SC(=O)N(CC(=O)N3CCCC[C@H]3C)C2=O)c1OC 409216057 HOGOYOWMRWZPSQ-YYTPVVGHSA-N 404.488 3.141 0 40 HGAB COc1cc([C@@H]2CC(=O)N=C3N=CNN32)ccc1OCc1c(F)cccc1Cl 409379673 YHTDTQFCUFORHM-HNNXBMFYSA-N 402.813 3.243 0 40 HGAB CNS(=O)(=O)c1cccc(CNC(=O)NC2(c3ccc(F)cc3F)CCCC2)c1 536354728 OZXALZVPLGDBAQ-UHFFFAOYSA-N 423.485 3.142 0 40 HGAB OC[C@@H]1[C@H](O)[C@@H](c2ccccc2)CN1Cc1ccc(OCC2(O)CCCCC2)cc1 585292987 QPNCVKMUUPEWAS-WXFUMESZSA-N 411.542 3.082 0 40 HGAB O=C(Nc1nc(O)c2ccccc2n1)c1nn(Cc2ccccc2)c(=O)c2ccccc12 589974153 UUDPTURLUUZQQB-UHFFFAOYSA-N 423.432 3.346 0 40 HGAB NC(=O)c1ccc(N2CCN(CC(Cc3ccccc3)Cc3ccccc3)CC2)nc1 630343521 QJHJUTAFNBUSTG-UHFFFAOYSA-N 414.553 3.404 0 40 HGAB Cc1oc2c(F)c(N3CCOCC3)c(F)cc2c(=O)c1C(=O)Nc1ccccc1 1425721 YXLHVACVBUSSCM-UHFFFAOYSA-N 400.381 3.469 0 40 HGAB COc1ccc(CCNC(=O)CSc2nnc3ccc4ccccc4n23)cc1OC 1924253 OEBGLUAJYVMUEK-UHFFFAOYSA-N 422.510 3.351 0 40 HGAB CCn1c(C)cc2c(c1=O)[C@@H](c1ccc(Cl)c(Cl)c1)C(C(=O)OC)=C(N)O2 2196862 PEPCWHQOIHSBJF-CQSZACIVSA-N 409.269 3.351 0 40 HGAB COCCCn1c(N)c(C(=O)NCCc2ccccc2)c2nc3ccccc3nc21 2269162 ZFAXLADKBGXGCX-UHFFFAOYSA-N 403.486 3.176 0 40 HGAB O=C(N/C(=C\c1ccccc1)C(=O)N1CCOCC1)c1ccc(Br)cc1 2272546 XNMMJHNSNBBPLT-JXAWBTAJSA-N 415.287 3.079 0 40 HGAB COc1ccc(Cc2nn3c([C@H]4COc5ccccc5O4)nnc3s2)cc1OC 2358622 AXFAUDATVDEIMM-QGZVFWFLSA-N 410.455 3.306 0 40 HGAB CN(C)S(=O)(=O)Oc1cccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)c1 3052342 BEIRRPCRBICRIG-UHFFFAOYSA-N 404.366 3.023 0 40 HGAB CCOC(=O)c1c(NC(=O)[C@H](C)OC(=O)c2ccncc2)sc2c1CCCC2 3329286 CYWBDYSYVNFLIV-LBPRGKRZSA-N 402.472 3.383 0 40 HGAB CN(C)[C@H](CNC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)c1ccco1 3378646 JMMDTGNTPCFMCW-FUHWJXTLSA-N 403.910 3.204 0 40 HGAB O=S(=O)(c1cccc(-c2nnc(SC[C@@H]3CCCO3)o2)c1)N1CCCCC1 3388715 LUGXFNRDQKUFHQ-HNNXBMFYSA-N 409.533 3.182 0 40 HGAB COc1ccc(CCC(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)cc1OC 3549770 XSDGSAFUKAICRG-UHFFFAOYSA-N 420.512 3.288 0 40 HGAB CCn1c(SCC(=O)N2CCCc3ccccc32)nc2c(c1=O)S[C@@H](C)C2 4107843 KLUQYCVXCCUWRG-ZDUSSCGKSA-N 401.557 3.371 0 40 HGAB COc1ccc(C(=O)COc2coc(CN3CCc4ccccc4C3)cc2=O)cc1 4583925 CYHZHHOBFROZSM-UHFFFAOYSA-N 405.450 3.468 0 40 HGAB CC(=O)NC(=S)Nc1ccc(NC(=S)NC(=O)c2cc3ccccc3o2)cc1 4678114 ONCRGIVURLIUDU-UHFFFAOYSA-N 412.496 3.393 0 40 HGAB C[C@H](OC(=O)c1cn(C)c2ccccc12)C(=O)Nc1ccc(N2CCOCC2)cc1 5703568 SOIFJBQYQBGMRW-INIZCTEOSA-N 407.470 3.199 0 40 HGAB CCc1ccccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 5878533 OWVPXEZURZEOHC-OAHLLOKOSA-N 400.862 3.437 0 40 HGAB CC(C)N(C(=O)CN1C(=O)NC(Cc2ccccc2)(Cc2ccccc2)C1=O)C(C)C 6053779 AIJZEHPLSGVFJW-UHFFFAOYSA-N 421.541 3.408 0 40 HGAB CC(C)(C)c1ccccc1NC(=O)COC(=O)c1ccc(=O)n(Cc2ccccc2)n1 6597816 WDFAGDGSDABKGB-UHFFFAOYSA-N 419.481 3.385 0 40 HGAB CN(CC(=O)NCc1cccc(Cl)c1)S(=O)(=O)c1ccc2ccccc2c1 6601758 UOUMGTSEBZKPMM-UHFFFAOYSA-N 402.903 3.430 0 40 HGAB O=C(c1ccc(Oc2ccccc2)cc1)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 6640249 AXFDERWCVZKNKU-WIYYLYMNSA-N 415.511 3.287 0 40 HGAB O=C(Nc1ccccc1F)c1nc(S(=O)(=O)Cc2ccccc2)ncc1Cl 6748079 RZIAJGKLGCNSAV-UHFFFAOYSA-N 405.838 3.495 0 40 HGAB CC1(C)Cc2c(sc(NC(=O)N(CCO)Cc3ccccc3)c2C(=O)O)CO1 6754989 XZHDMPOUGHBKKN-UHFFFAOYSA-N 404.488 3.324 0 40 HGAB CCCNC(=O)[C@H]1CC(=O)N(c2ccc(OCC(=O)Nc3ccc(C)cc3C)cc2)C1 6879917 QFIBSSUNZHRSBV-SFHVURJKSA-N 423.513 3.200 0 40 HGAB COc1ccccc1NC(=O)[C@H](C)Nc1cccc(S(=O)(=O)NC(C)(C)C)c1 7279582 XZGHCCQQIILSTF-AWEZNQCLSA-N 405.520 3.211 0 40 HGAB COc1ccc(C(C)(C)C)cc1N[C@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 7370613 JKOBQXIADVIECN-CYBMUJFWSA-N 405.520 3.079 0 40 HGAB C[C@H](NC(=O)CSc1nnc(C2CC2)n1C1CC1)c1ccc2c(c1)OCCO2 7905218 OCNOATVLOCSOPX-LBPRGKRZSA-N 400.504 3.231 0 40 HGAB CC1(C)NC(=O)N(CCC(=O)N2CCc3sccc3[C@@H]2c2cccs2)C1=O 7948441 OBEDETRBGHZQRM-MRXNPFEDSA-N 403.529 3.004 0 40 HGAB CCn1c(=O)c2ccccc2n(CC(=O)Nc2ccccc2SC(F)F)c1=O 8405256 OUNTWUBOICMLJE-UHFFFAOYSA-N 405.426 3.137 0 40 HGAB CCCNc1nc(SCC)nc2c1cnn2CCNC(=O)Cc1cccs1 8948119 CVNFBMIYVBIFEZ-UHFFFAOYSA-N 404.565 3.181 0 40 HGAB CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]2[C@H]2C=CC=NN12 9012691 VGVXLUAWOCBZCS-FPCVCCKLSA-N 420.296 3.323 0 40 HGAB CCNC(=O)c1cc(S(=O)(=O)Nc2cccc(Br)c2)ccc1OC 10008871 NDMSAWWOCOMUPG-UHFFFAOYSA-N 413.293 3.008 0 40 HGAB O=C(CSc1nnnn1-c1cccc(Cl)c1)c1ccc2c(c1)OCCCO2 10026875 MEZKMCNFYGJOAE-UHFFFAOYSA-N 402.863 3.452 0 40 HGAB CCCOC(=O)c1cc(NC(=O)COC(=O)c2ccc3c(c2)OCO3)ccc1Cl 10041711 ZHNMAWALGDSGEU-UHFFFAOYSA-N 419.817 3.431 0 40 HGAB CNC(=O)NC(=O)[C@H](C)Sc1nc2sc(C)c(C)c2c(=O)n1C1CCCC1 11385743 DHZKBWSSHMDYPR-NSHDSACASA-N 408.549 3.126 0 40 HGAB COc1cc(C(=O)Nc2ccccc2OC(F)F)cc(Cl)c1OCC(N)=O 11479725 PZURRHYKEWCRQS-UHFFFAOYSA-N 400.765 3.066 0 40 HGAB COc1ccc(-c2cc3nc([C@@H](C)NC(=O)c4ccc(OC)s4)nn3cn2)cc1 12085124 OCGKJSSEXQBEEP-GFCCVEGCSA-N 409.471 3.361 0 40 HGAB CCOc1cc2c(cc1CNC(=O)c1ccc(Cl)c(S(C)(=O)=O)c1)O[C@H](C)C2 12786073 VYXPIYNAUBUJRU-GFCCVEGCSA-N 423.918 3.396 0 40 HGAB COc1ccccc1CN(Cc1cccs1)S(=O)(=O)c1ccc(C(N)=O)cc1 12799309 NNOHPMVCPTVCQX-UHFFFAOYSA-N 416.524 3.247 0 40 HGAB CC(=O)N1C[C@H](C(=O)Nc2cccc(I)c2)Oc2ccccc21 12986729 LDPSCUYTIYHLFI-MRXNPFEDSA-N 422.222 3.044 0 40 HGAB Cc1cc(-c2snnc2[C@H]2CCCN(C(=O)[C@H](C)Cn3ccc(C)n3)C2)on1 13227736 LGEOHXWOCSOJPJ-DOMZBBRYSA-N 400.508 3.049 0 40 HGAB COc1cc2oc(=O)c(CC(=O)Nc3ccc(CCO)cc3)c(C)c2cc1Cl 13575301 CMPYIVBDMMAFFE-UHFFFAOYSA-N 401.846 3.479 0 40 HGAB COc1ccc(C(=O)N2CCN(CCOc3ccccc3)CC2)cc1Br 14245937 WZDIRFHQOKUFRU-UHFFFAOYSA-N 419.319 3.295 0 40 HGAB CCS(=O)(=O)N(C)c1ccc(C(=O)NCCSCc2ccccc2C)cc1 14399534 QVSNABIWHYIEDV-UHFFFAOYSA-N 406.573 3.444 0 40 HGAB O=C(Cn1c(=O)cnc2ccccc21)Nc1cc(C(F)(F)F)ccc1-n1cccn1 15640764 OUOXISYSQOFDBL-UHFFFAOYSA-N 413.359 3.240 0 40 HGAB Cc1ccc(NC(=O)C[C@@H]2C(=O)N[C@H]3CCCC[C@@H]3N2C(=O)c2ccc(F)cc2)cc1 17093575 GCTJTVYVJADNKU-PCCBWWKXSA-N 423.488 3.415 0 40 HGAB CC(C)N1CCc2nc3cc([C@@H]4CCCN(C(=O)C5CCCC5)C4)nn3c(O)c2C1 19448073 PNBRZUJYFZQURQ-QGZVFWFLSA-N 411.550 3.098 0 40 HGAB CCC[C@]1(C(=O)OC)N[C@H](c2ccc(C)cc2)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]21 19501983 BUKVTGGQIXTIFJ-SMTRIPRVSA-N 420.509 3.465 0 40 HGAB CCN1CCN(CC2=CCCOC2)C[C@@H](Cc2ccccc2-c2ccncc2)C1=O 19527750 XPTXSBFDJQLNKG-HSZRJFAPSA-N 405.542 3.418 0 40 HGAB CS(=O)(=O)c1cccnc1[C@@H]1CCCN(Cc2c[nH]nc2-c2cccs2)C1 19573524 DIJQZPUDIRWCQI-CQSZACIVSA-N 402.545 3.316 0 40 HGAB COc1ccc(CN2CCC(C(=O)N3CC[C@@](O)(c4ccc(C)cc4)C3)CC2)cc1 19661226 HAXXZNQEEAXHPA-VWLOTQADSA-N 408.542 3.336 0 40 HGAB COc1ccccc1CN1CCC(C(=O)Nc2nc(-c3nonc3C)cs2)CC1 19717585 KKEQFYBLLSQVMS-UHFFFAOYSA-N 413.503 3.361 0 40 HGAB COc1ccc(-c2cc(C(=O)N(C)Cc3ccccc3N3CCOCC3)on2)cc1 19718906 IIZLOKJIHKKZKD-UHFFFAOYSA-N 407.470 3.459 0 40 HGAB O=C(COc1ccc(Br)cc1)N1CCN(Cc2ccc(F)cc2)CC1 19889460 AFOCUEDGOJJEOV-UHFFFAOYSA-N 407.283 3.311 0 40 HGAB O=c1[nH]c2cc(Br)c(NS(=O)(=O)c3ccc(Cl)s3)cc2[nH]1 20110807 LGXVBDLGDSRIML-UHFFFAOYSA-N 408.686 3.134 0 40 HGAB C[C@@H](NC(=O)CN(c1ccccc1Br)S(C)(=O)=O)c1ccccc1 20237641 NWIGPMDEDMJEHK-CYBMUJFWSA-N 411.321 3.093 0 40 HGAB COc1ccc(Cl)cc1C(=O)NCc1ccc(S(=O)(=O)N2CCCC2)cc1 20768368 AICGSVZQDJVBNW-UHFFFAOYSA-N 408.907 3.063 0 40 HGAB CCOc1ccc(Oc2ccc(NC(=O)c3ccc(=O)n(CCOC)n3)cc2)cc1 22131345 AWZRXPDTSXGZRL-UHFFFAOYSA-N 409.442 3.333 0 40 HGAB COc1cc(C(=O)Nc2ccccc2SC)c(N(C)S(C)(=O)=O)cc1OC 22251390 QKTRRMXTUFRZMD-UHFFFAOYSA-N 410.517 3.074 0 40 HGAB CCOc1cccc(N(CC(=O)Nc2ccc(OC(C)C)cc2)S(C)(=O)=O)c1 22399158 ZNQYAMYYKVCUPA-UHFFFAOYSA-N 406.504 3.277 0 40 HGAB CCOC(=O)N1CCC(NC(=O)Cc2csc(COc3ccc(F)cc3)n2)CC1 23241965 DXDPCURDYKPGSR-UHFFFAOYSA-N 421.494 3.141 0 40 HGAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)OCc1cc(=O)n2cc(Cl)ccc2n1 24199126 XMQNYGRUUSXYJM-LJQANCHMSA-N 423.856 3.355 0 40 HGAB CCc1c(C(=O)N(C)Cc2nc3ccccc3s2)cnn1-c1ccc(OC)nn1 24572829 HXDDHSSJKCJBOU-UHFFFAOYSA-N 408.487 3.115 0 40 HGAB CNc1nc(N2CCN(c3ccccn3)CC2)nc2c1C(=O)C[C@H](c1ccccc1)C2 24755129 JSOGDPLEGWEVBY-GOSISDBHSA-N 414.513 3.153 0 40 HGAB Cc1ccc(-c2noc(CCC(=O)N3CCC[C@@H]3c3nnc4ccccn34)n2)cc1 29077187 WYHLUHHRSFDIJB-QGZVFWFLSA-N 402.458 3.384 0 40 HGAB O=C(CCn1cnc2sc3c(c2c1=O)CCCC3)OCCOc1ccccc1F 30403341 POZJXHYEKWAYTL-UHFFFAOYSA-N 416.474 3.488 0 40 HGAB COc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)CCCc3ccccc3)C2)cc1 30864158 LLFDYXXQDYKMRT-LJQANCHMSA-N 416.543 3.308 0 40 HGAB Cc1nn(-c2ccccc2)nc1C(=O)Nc1ccc(C(=O)NCC(F)(F)F)cc1 32776601 SXHRRTBGZJENTA-UHFFFAOYSA-N 403.364 3.120 0 40 HGAB Cc1ccc(N2CCN([C@@H](C(=O)O)c3cn(C)c4cc(C(=O)O)ccc34)CC2)c(C)c1 36367144 GKIBKBFCABJRAM-JOCHJYFZSA-N 421.497 3.441 0 40 HGAB Cc1nn(C)c2ncc(NC(=O)COc3cccc(NC(=O)c4ccco4)c3)cc12 36395352 NDASIGLRTVJLHP-UHFFFAOYSA-N 405.414 3.140 0 40 HGAB NC(=O)c1cccc(C(=O)NC[C@@H](c2ccccc2)N2CCc3sccc3C2)c1 40112633 WFPYTFSSJSEZOS-FQEVSTJZSA-N 405.523 3.376 0 40 HGAB CCCCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(F)cc2Cl)c1=O 40478551 RIZUGFGOLLFLND-UHFFFAOYSA-N 403.841 3.395 0 40 HGAB COC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(C)cc1 41157280 YNZIMCUIVOUNKM-SFTDATJTSA-N 410.514 3.040 0 40 HGAB CN(Cc1cnn(C)c1)C(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 47459623 QPAMTJKFTKHCCG-OAHLLOKOSA-N 409.317 3.238 0 40 HGAB O=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)N1CCN(c2cnccn2)CC1 48275058 NVCSVGTUYIHAOZ-UHFFFAOYSA-N 420.439 3.450 0 40 HGAB O=C(Cn1nc2c(SC3CCCCC3)nccn2c1=O)Nc1ccc(F)cc1 49008966 YFWGIIOQZVAMOK-UHFFFAOYSA-N 401.467 3.094 0 40 HGAB O=C(Cc1csc(Nc2ccc(Cl)cn2)n1)Nc1ccc(-n2cnnn2)cc1 49452384 QRJALBGXTKCEIR-UHFFFAOYSA-N 412.866 3.092 0 40 HGAB C[C@H](C(=O)N1CCc2[nH]c3ccccc3c2C1)N1CCN(c2ccccc2F)CC1 57061388 BRKFTLGDLPCSIV-QGZVFWFLSA-N 406.505 3.402 0 40 HGAB CCc1ccc([C@H]2NC(=O)NC(CN3CCc4ccccc4C3)=C2C(=O)OC)cc1 57415162 GPQIKPUJRASXRZ-JOCHJYFZSA-N 405.498 3.088 0 40 HGAB COCCn1c(SCC(=O)N(C)c2cccc(C)c2)nc2ccsc2c1=O 57425837 ZCONTYZODXIZRX-UHFFFAOYSA-N 403.529 3.168 0 40 HGAB O=C(Cn1nc(-c2ccc(Br)cc2)ccc1=O)N[C@@H]1CCc2ccccc21 57427444 SBBMISCOORTDTA-LJQANCHMSA-N 424.298 3.477 0 40 HGAB O=C(Nc1cccc(C(F)(F)F)c1)[C@@H](N[C@H]1CCS(=O)(=O)C1)c1ccccc1 57432014 OAVFWBLMOHEPMC-IRXDYDNUSA-N 412.433 3.162 0 40 HGAB Cc1cccc(N2CCN(C[C@@H]3C(=O)O[C@@H]4CC5=CCC[C@@H](C)[C@@]5(C)[C@H](O)[C@@H]43)CC2)c1 59415105 VPMFYHWUKMLBMB-VGUVQKNXSA-N 424.585 3.402 0 40 HGAB biogenic CC(C)C[C@@H](C(=O)Nc1nc2c(s1)C(=O)CCC2)N1C(=O)c2ccccc2C1=O 60362210 RLXDHOCILPLUSE-HNNXBMFYSA-N 411.483 3.312 0 40 HGAB CS(=O)(=O)c1ccc(N[C@@H](c2ccccc2)c2ccccn2)c(S(C)(=O)=O)c1 65519184 KFIFERLMYWKSDN-FQEVSTJZSA-N 416.524 3.090 0 40 HGAB O=S(=O)(c1ccccc1)c1nnn2c1nc(NCc1ccncc1)c1ccccc12 67261362 LTFSBNDKXIXYQN-UHFFFAOYSA-N 416.466 3.117 0 40 HGAB O=C(NC1(c2ccc(Br)cc2)CC1)[C@@H]1CN(Cc2ccccc2)CCO1 72294645 DGYBLYHWXUBKOE-IBGZPJMESA-N 415.331 3.455 0 40 HGAB CCc1nccn1CC(=O)N1CCC[C@@H]1Cc1c(C(=O)NC)sc2ccccc12 72370257 CPZBSEPPHWZZIK-OAHLLOKOSA-N 410.543 3.254 0 40 HGAB NC(=O)c1ccccc1NC(=O)C1CN(c2nc3c(C(F)(F)F)cccc3s2)C1 77191797 WCHDFEFAXBIRRB-UHFFFAOYSA-N 420.416 3.489 0 40 HGAB O=C(COc1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCC[C@H]2CCCC[C@@H]21 78714040 HHQNYRHEEQODLX-NQIIRXRSSA-N 420.575 3.421 0 40 HGAB COc1ccccc1[C@@H](c1nnnn1C(C)(C)C)N1CCN(Cc2ccccc2)CC1 84923868 SRGGYEFLVHOMED-QFIPXVFZSA-N 420.561 3.344 0 40 HGAB Cn1nccc1[C@@H]1CC(=O)Oc2cc(O)c3c(=O)c(-c4ccc(O)cc4)coc3c21 96114394 PTUYUARFSYRBGV-ZDUSSCGKSA-N 404.378 3.046 0 40 HGAB biogenic O=C(NC1CCCCC1)[C@@H]1CC(=O)N(c2n[nH]c3cc(Br)ccc23)C1 96343980 OOHSUOBYVGIUQF-LLVKDONJSA-N 405.296 3.127 0 40 HGAB OC1(c2cccc(F)c2)C[C@H]2CC[C@H](C1)N2Cc1nnnn1CCc1ccccc1 100457202 UNFBKVWUKAUHCT-NHCUHLMSSA-N 407.493 3.070 0 40 HGAB C[C@@H](CCc1ccccc1)NC(=O)[C@H]1[C@@H]2C=C[C@]3(CN(c4ccccc4)C(=O)[C@H]13)O2 100788240 DOQJCMSPVWOHSQ-HAXVPUKYSA-N 402.494 3.111 0 40 HGAB Cc1nn(Cc2ccccc2Cl)c(C)c1NC(=O)[C@H]1[C@@H]2CC[C@H](O2)[C@@H]1C(=O)O 101256150 ZGVJDVGMFDKWHA-QAETUUGQSA-N 403.866 3.018 0 40 HGAB Cc1ccc(OCCNC(=O)CN2c3ccccc3-c3ccccc3S2(=O)=O)cc1 219154222 XLLZERJZPPAOIH-UHFFFAOYSA-N 422.506 3.366 0 40 HGAB Cc1cccc(CCCNC(=O)[C@H](C)N(c2ccc(F)c(F)c2)S(C)(=O)=O)c1 220458749 YVPVAAKVONYRLO-HNNXBMFYSA-N 410.486 3.177 0 40 HGAB CC[C@H](C(=O)NCc1ccc(OC)cc1)N(c1cc(C)cc(C)c1)S(C)(=O)=O 220564728 GUZXEVPTVMWDBA-HXUWFJFHSA-N 404.532 3.173 0 40 HGAB CNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CSCc1ccc(OC)cc1 222588006 KIYFWGDYQPODMX-OAHLLOKOSA-N 404.507 3.231 0 40 HGAB CS(=O)(=O)N(CC(=O)Nc1nnc(-c2ccccc2)s1)c1ccc(Cl)cc1 222816422 XTDJSXKHFISBNA-UHFFFAOYSA-N 422.919 3.263 0 40 HGAB COc1ccc(OC)c([C@H](C)NS(=O)(=O)c2ccc(N3CCCC3=O)c(C)c2)c1 223072656 RONGMFYLIUFYHS-HNNXBMFYSA-N 418.515 3.179 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)N[C@H](C)c1ccccc1 223226869 XZPFIDJOQVLKOW-QGZVFWFLSA-N 416.543 3.290 0 40 HGAB CC(=O)Nc1ccc(S(=O)(=O)N(C)Cc2nc(-c3ccccc3Cl)no2)cc1 223766735 SYDDOASXZLJNHV-UHFFFAOYSA-N 420.878 3.169 0 40 HGAB CN(c1ccccc1C(=O)NCCOCc1ccccc1)S(=O)(=O)c1ccccc1 223864381 JWZQAQHQIUOQAI-UHFFFAOYSA-N 424.522 3.458 0 40 HGAB C[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N(C)Cc1ccc(Cl)cc1 223994390 MWBOAYPTQYHYLC-AWEZNQCLSA-N 410.923 3.162 0 40 HGAB COC(=O)CN(c1ccc(Br)cc1F)S(=O)(=O)c1cccs1 225138502 NQZGTXCSFSNLLZ-UHFFFAOYSA-N 408.270 3.018 0 40 HGAB CS(=O)(=O)Nc1cccc(C(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)c1 225702414 URBTUBAMMHDTQR-UHFFFAOYSA-N 408.892 3.482 0 40 HGAB Cc1ccc(C)c(S(=O)(=O)N(C)CC(=O)Nc2ccc(Br)cc2)c1 225929711 DHJLTYXSCYOILY-UHFFFAOYSA-N 411.321 3.325 0 40 HGAB CC(=O)N1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)Cn1cccn1 257232498 GLCFIIFXOMNGNM-ACUMWEPGSA-N 420.557 3.275 0 40 HGAB CCCNC(=O)Cc1c(C)nc([C@@H]2CCCN(C(=O)c3ccccc3OC)C2)nc1C 257238694 HMCFBBYSFXSBAY-GOSISDBHSA-N 424.545 3.191 0 40 HGAB CCOc1ccc(CN2CCC(c3cncc(Nc4ncccn4)n3)CC2)cc1CO 257278179 OBDXOQDPQIZPHL-UHFFFAOYSA-N 420.517 3.281 0 40 HGAB COCCN1CC[C@@]2(CN(Cc3cccc(C)c3)C[C@H]2c2cn(C(C)C)cn2)C1=O 306134937 OBXYVHMFRUGUEZ-URXFXBBRSA-N 410.562 3.237 0 40 HGAB O=C(COc1ccc(S(=O)(=O)N2CCCCC2)cc1Cl)NC1CCCCC1 408533918 RJPQEYDSOCDVPN-UHFFFAOYSA-N 414.955 3.342 0 40 HGAB COc1ccc(C)cc1S(=O)(=O)N[C@H](C)C(=O)Nc1cccc(C(F)(F)F)c1 408558765 KFWRWKWSEWRLLL-GFCCVEGCSA-N 416.421 3.328 0 40 HGAB CC(C)N1C[C@@H](C(=O)Nc2cc(C(F)(F)F)ccc2OC[C@H]2CCCO2)CC1=O 408706708 CORHFKUWPDVVKP-DZGCQCFKSA-N 414.424 3.459 0 40 HGAB CC(C)(NC(=O)c1ccccc1)c1noc(CCCNC(=O)NC2CCCCC2)n1 579407198 VPRKNBHHCHWHSD-UHFFFAOYSA-N 413.522 3.299 0 40 HGAB CC(=O)N1CCC(C(=O)N2CCO[C@H](c3cc(F)c(Cl)cc3Cl)C2)CC1 592780823 PDSGQCDGFFWMMP-KRWDZBQOSA-N 403.281 3.291 0 40 HGAB O=C1NCC2(CCN(C(=O)C(F)(F)c3cc(F)cc(F)c3)CC2)Oc2ccccc21 1155309328 NPCQMAGIQXFDNR-UHFFFAOYSA-N 422.378 3.240 0 40 HGAB O=C(CN1CCC[C@@](O)(COc2ccccc2)CC1)Nc1ccnn1C1CCCC1 2037915923 BHGOBLSYJGWFEW-QHCPKHFHSA-N 412.534 3.233 0 40 HGAB CC(=O)N1Cc2ccccc2N(C(C)=O)CC[C@H]2CC[C@@H](C1)N2Cc1cccnc1 2037942779 BNNFRCCRCIDOBR-PKTZIBPZSA-N 406.530 3.220 0 40 HGAB O=C1[C@@H]2C3c4ccccc4C(C(=O)O)(c4ccccc43)[C@@H]2C(=O)N1c1ccccc1F 849907 KFEXLDHFIBTCOI-CCQQUTMYSA-N 413.404 3.461 0 40 HGAB O=C1C(Cl)=C(N2CCN(c3ccccc3)CC2)C(=O)N1c1ccc(Cl)cc1 946340 UCHXGZZCYQIEQQ-UHFFFAOYSA-N 402.281 3.486 0 40 HGAB CC(C)[C@@H](OC(=O)c1ccc2c(c1)NC(=O)C(C)(C)O2)C(=O)NC1CCCCC1 1346692 GKEAASDOWJSGIH-GOSISDBHSA-N 402.491 3.426 0 40 HGAB Cc1nnc(SCC(=O)Nc2ncc(Cc3cccc4ccccc34)s2)n1N 1906763 TWXNPNNCYIWQLV-UHFFFAOYSA-N 410.528 3.232 0 40 HGAB CCCC[C@H](NC(=O)[C@@H](C)Oc1cc(C)cc2oc(=O)c3c(c12)CCC3)C(=O)O 2105363 WTWUMCLAIXHOQK-CJNGLKHVSA-N 401.459 3.117 0 40 HGAB biogenic CCCOc1ccc(N2C(=O)C[C@@H](NNc3ncc(Cl)cc3Cl)C2=O)cc1 2192846 LQKSBSHAIBDPLM-OAHLLOKOSA-N 409.273 3.426 0 40 HGAB CC(C)(C)OC(=O)[C@H]1C(=O)C[C@@](C)(O)[C@H](C(=O)OC(C)(C)C)[C@H]1c1cccc(O)c1 2252401 AGQCMGOCQVNZSM-DWKCODDLSA-N 420.502 3.115 0 40 HGAB CC1(C)Cc2c(sc3nc(SCC(=O)NCc4ccco4)nc(N)c23)CO1 2434973 SJHFAFSQTOZDML-UHFFFAOYSA-N 404.517 3.126 0 40 HGAB Cc1cc(Br)ccc1NC(=O)CN1C(=O)N[C@](C)(c2ccccc2)C1=O 3460035 QZHGYCGBKZNEHM-LJQANCHMSA-N 416.275 3.163 0 40 HGAB Cc1cnc(C(=O)OCC(=O)c2cc(C)n(C[C@H]3COc4ccccc4O3)c2C)cn1 3545132 YOZCFBJMFFQYLV-KRWDZBQOSA-N 421.453 3.083 0 40 HGAB CCc1ccc2[nH]c(=O)c(CN(CCCO)C(=S)NCCc3ccccc3)cc2c1 4131993 HJEIFOFOSDUGKS-UHFFFAOYSA-N 423.582 3.392 0 40 HGAB O=C(CSc1ccc2nnc(-c3ccccn3)n2n1)N1CCCc2ccccc21 4326880 JLQDKCNUOUELLG-UHFFFAOYSA-N 402.483 3.258 0 40 HGAB CCOc1cc2c(cc1OCC)[C@H](c1ccc(OCC(=O)O)c(OC)c1)NCC2 4577246 OLBLALJILDGNIY-QFIPXVFZSA-N 401.459 3.191 0 40 HGAB biogenic COc1ccc(N2C[C@H](C(=O)Nc3cc(OC)c(Cl)cc3OC)CC2=O)cc1 4731923 GQUXYENCRJSYTJ-GFCCVEGCSA-N 404.850 3.357 0 40 HGAB Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@H]2c4ccccc4C=NN2[C@H]3C(=O)C(C)(C)C)cc1 5054180 FFSUGNKQQRZUEM-PLACYPQZSA-N 415.493 3.489 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)CCc2ccc(OC)cc2)c1 5512749 QVRBUQCXYYDVOQ-UHFFFAOYSA-N 420.531 3.306 0 40 HGAB CCCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1cccc(Br)c1 6162115 WJBHVUXPOIQCBV-UHFFFAOYSA-N 423.336 3.126 0 40 HGAB Cc1cccc(NC(=O)CSc2nc3nccnc3c(=O)n2Cc2ccccc2)c1 6818542 YXXSZKHWZNAIFO-UHFFFAOYSA-N 417.494 3.274 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)NCc1ccc(F)cc1 7345806 RLXZQVMOZVKAJV-UHFFFAOYSA-N 420.506 3.329 0 40 HGAB CCOC(=O)c1c(NC(=O)Cn2cnc3sccc3c2=O)sc(C)c1CC 7495086 SBJIFUHDKWRXRR-UHFFFAOYSA-N 405.501 3.206 0 40 HGAB O=C(CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O)N[C@@H]1CCSc2ccccc21 7988400 XLUVFOHOUKUQCW-WZONZLPQSA-N 421.522 3.123 0 40 HGAB Cc1cc(NC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)ccc1Br 8076775 CAULGHDJEXXTEK-UHFFFAOYSA-N 409.305 3.332 0 40 HGAB O=C(NCCc1c[nH]c2ccc(Cl)cc12)[C@H]1CCCN(c2ncnc3[nH]cnc23)C1 9059687 MJFUBQKDHUVIEM-AWEZNQCLSA-N 423.908 3.063 0 40 HGAB Cc1ccc(NC(=O)c2ccc(O)nn2)cc1S(=O)(=O)Nc1ccccc1Cl 9127910 ZTJCLEYPLNWDNL-UHFFFAOYSA-N 418.862 3.197 0 40 HGAB Cc1ccc(N2CCn3c2nc2c3c(=O)n(Cc3ccccc3Cl)c(=O)n2C)cc1 9406716 RQASEUJOCPAXGU-UHFFFAOYSA-N 421.888 3.059 0 40 HGAB CCS(=O)(=O)c1ccc(-c2cccc(NC(=O)c3c(F)cccc3F)c2)nn1 9626826 PAOYCLQCNZRRIG-UHFFFAOYSA-N 403.410 3.468 0 40 HGAB C[C@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)OCC(=O)c2ccc[nH]2)c1 9665311 CBQKJSQQYQNCAN-HNNXBMFYSA-N 424.478 3.194 0 40 HGAB O=C(NCC(=O)N1CCC(c2nc3ccccc3s2)CC1)c1ccc2c(c1)OCO2 9882128 FQPTVPCVTUOYFA-UHFFFAOYSA-N 423.494 3.161 0 40 HGAB O=C(COc1ccc(Br)cc1Cl)N1CCN(c2nccs2)CC1 10675294 WAJBWCMEEIBAEM-UHFFFAOYSA-N 416.728 3.287 0 40 HGAB C[C@H]1c2ccsc2CCN1C(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1 10697073 SBNWBNUJVIKGIR-AWEZNQCLSA-N 422.547 3.434 0 40 HGAB CCCNC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCCCC1 12528266 DDCGMNQRQWCCMG-UHFFFAOYSA-N 408.568 3.383 0 40 HGAB CN(CC(=O)NCCCn1ccc2ccccc21)S(=O)(=O)c1ccc(Cl)cc1 12554333 HNMNTPVWLQPHLO-UHFFFAOYSA-N 419.934 3.122 0 40 HGAB O=C(Nc1nnc(C2CC2)s1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 12731638 MQTUXUPOASCQGI-UHFFFAOYSA-N 400.485 3.469 0 40 HGAB C[C@@H](CC(=O)NCC(=O)Nc1cc(Cl)ccc1Cl)NC(=O)c1ccccc1 12854303 URRIKBOFVIWLDR-LBPRGKRZSA-N 408.285 3.257 0 40 HGAB CN(CC(=O)Nc1ccccc1-c1ccccc1)C1=NS(=O)(=O)c2ccccc21 13013053 OVVCPOAFTIRCOJ-UHFFFAOYSA-N 405.479 3.373 0 40 HGAB Cc1ccccc1Cn1c(=O)n(CC(=O)Nc2ccc(F)cc2)c(=O)c2sccc21 13592868 QIOACZZOBUACKT-UHFFFAOYSA-N 423.469 3.359 0 40 HGAB O=C(N[C@@H]1CCN(Cc2ccccc2)C1)C1CCN(C(=O)c2ccc(F)cc2)CC1 14184205 WGDVCZQOANVJFO-JOCHJYFZSA-N 409.505 3.069 0 40 HGAB CCN(CC)CCNC(=O)c1ccc(NC(=O)COc2ccc3c(c2)CCC3)cc1 14739047 DCARHHQUPKHJEI-UHFFFAOYSA-N 409.530 3.264 0 40 HGAB C[C@@H](O)c1cccc(NC(=S)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)c1 17083236 HGXZYEMGLUZFQN-CQSZACIVSA-N 405.545 3.333 0 40 HGAB CCC(=O)N1CCN(c2ccccc2NC(=S)NC(=O)c2cccc(C)c2)CC1 17088589 OLBVRTRUSILJFQ-UHFFFAOYSA-N 410.543 3.180 0 40 HGAB O=C(CCCOc1ccc(Cl)cc1Cl)N1CCN(C(=O)[C@H]2CCCO2)CC1 17090228 VZKGFHWQZZGFPZ-QGZVFWFLSA-N 415.317 3.002 0 40 HGAB NC(=O)[C@@]1(Cc2cccc(-c3cccc(F)c3)c2)CCCN(C(=O)[C@H]2CCCO2)C1 19331298 YBAKTSRBAJDWGF-ZJSXRUAMSA-N 410.489 3.308 0 40 HGAB CCc1ccc(CN2CCC[C@@H](c3nc4c(c(=O)[nH]3)CN(C(=O)C3CC3)CC4)C2)cc1 19522874 JOOGOVVGVOVCHQ-HXUWFJFHSA-N 420.557 3.007 0 40 HGAB CCc1nc2ccccc2n1C[C@@H](C)C(=O)N1CCC[C@@H]1c1nnc(SC)n1C 19523269 DHQUPDFPYWISPW-RHSMWYFYSA-N 412.563 3.449 0 40 HGAB Cc1cc(CN2CCc3c(nc(-c4ccccn4)[nH]c3=O)C2)c(C)n1-c1cccnc1 19567662 BUPUNKIWABAECJ-UHFFFAOYSA-N 412.497 3.193 0 40 HGAB CO[C@@H]1CCC[C@H](NC(=O)Cn2cc(C(=O)c3ccc(F)cc3)c3ccncc32)C1 19592677 WJCUCAPMUANWMK-ZWKOTPCHSA-N 409.461 3.480 0 40 HGAB COc1cccc(CNc2cc(CC3CCN(C(=O)[C@@H]4CCCO4)CC3)nc(C)n2)c1 19758457 NRXFNAIJXRIXEJ-QFIPXVFZSA-N 424.545 3.366 0 40 HGAB CCOC(=O)[C@H]1C(=O)N(CCCOC)c2nc3ccccc3n2[C@H]1c1ccccc1 19818314 SGKATOWAFCBFRZ-UXHICEINSA-N 407.470 3.188 0 40 HGAB C[C@H](CCc1ccccc1)NC(=O)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 19868927 SQJPYTNAWSLDGG-AEFFLSMTSA-N 406.573 3.286 0 40 HGAB COc1ccc(C(=O)N[C@@H](C)c2ccc(SC)cc2)cc1S(=O)(=O)N(C)C 20024870 KUKCLEWFOXIBHF-ZDUSSCGKSA-N 408.545 3.158 0 40 HGAB CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(OCC(=O)N2CCCC2)cc1 22233199 FLZFCMIUMOKKAH-UHFFFAOYSA-N 422.934 3.307 0 40 HGAB CCN(c1cc(OC)c(OC)cc1C(=O)NCCC1=CCCCC1)S(C)(=O)=O 22251767 AJVGKEMOMRODQR-UHFFFAOYSA-N 410.536 3.110 0 40 HGAB CCOc1ccc([C@H](c2sc3nc(C)nn3c2O)N2C[C@H](C)O[C@@H](C)C2)cc1 22626746 LVCBFHAITIZIKM-GDZNZVCISA-N 402.520 3.402 0 40 HGAB O=S(=O)(c1ccccc1)N1CCN(Cc2csc(-c3ccc(F)cc3)n2)CC1 23753182 QOPZJMUJBNKPAD-UHFFFAOYSA-N 417.531 3.456 0 40 HGAB CCC[C@@H](C)NC(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Br 25241444 LEDYSZHCKRSSCO-LLVKDONJSA-N 405.358 3.444 0 40 HGAB Cc1cc(C)n(-c2ccc(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)cc2)n1 25784422 PIUWXTQTJMWMHI-UHFFFAOYSA-N 418.497 3.176 0 40 HGAB COc1ccc(NC(=O)c2ccc(Br)cc2F)cc1NS(C)(=O)=O 29817809 SFLIYDCMMLFSNJ-UHFFFAOYSA-N 417.256 3.221 0 40 HGAB CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1cccc(OC[C@H]2CCCO2)c1 32776869 HZJCIYOMZMSRBZ-NFBKMPQASA-N 421.497 3.412 0 40 HGAB Cc1ccc(N2CCN([C@H](C(=O)O)c3cn(CC(=O)O)c4ccccc34)CC2)c(C)c1 36359068 QSEZSMOSDHMCON-QHCPKHFHSA-N 421.497 3.291 0 40 HGAB CCn1ccc(-c2cc(C(=O)N[C@H](C)c3c(C)nn(C)c3C)c3c(C)noc3n2)n1 36617985 NNNOZFCATBSPEQ-LLVKDONJSA-N 407.478 3.256 0 40 HGAB Cn1cc(CC(=O)N2CCN(C(=O)[C@@H]3C[C@H]3c3ccc(F)cc3)CC2)c2ccccc21 38729756 JUGDKBMEEAOFIG-FCHUYYIVSA-N 419.500 3.334 0 40 HGAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)N(C)Cc2ccccc2)cc1C 39986209 SLUUVTNQPHBLHY-UHFFFAOYSA-N 404.532 3.063 0 40 HGAB C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)C(F)(F)c3ccccc3)cc2)C[C@@H](C)O1 40140495 ZMAHGEBTSUPTHJ-GASCZTMLSA-N 424.469 3.215 0 40 HGAB O=C(NCCc1cc(F)cc2c1OCOC2)[C@H]1CC(=O)N(c2ccccc2Cl)C1 41668990 XPOIAAQGLLLRTO-AWEZNQCLSA-N 418.852 3.057 0 40 HGAB CCOc1ccc([C@@H](C)NC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)cc1 44847354 MKDPCTQYZMNDHA-CQSZACIVSA-N 410.923 3.382 0 40 HGAB O=C(CCS(=O)(=O)c1ccc(C(F)(F)F)cn1)NCc1ccccc1Cl 47657779 UEDGMPBEMZRSMK-UHFFFAOYSA-N 406.813 3.234 0 40 HGAB O=C(CN1CCC[C@H](COCc2ccccc2)C1)N1CCN(c2ccccc2)CC1 56908423 LEYMIFBWOPFBFO-QHCPKHFHSA-N 407.558 3.264 0 40 HGAB Cc1ccc(Cl)cc1NC(=O)Cn1nc2nc(Nc3ccccc3)ccn2c1=O 57507344 ROVKATSQHNFMQP-UHFFFAOYSA-N 408.849 3.235 0 40 HGAB CCOc1ccc(S(=O)(=O)N2CCCC[C@@H]2CNC(=O)OC(C)(C)C)cc1C 58029997 KXXAKXXRTBCWRG-MRXNPFEDSA-N 412.552 3.462 0 40 HGAB O=S(=O)(N[C@H]1CCCC[C@H]1N1CCN(c2ccccc2F)CC1)c1ccccc1 58085814 DOPYBUKPRYMXNB-RBBKRZOGSA-N 417.550 3.237 0 40 HGAB Cc1cccc(-n2ccnc2S(=O)(=O)[C@@H](C)C(=O)N2c3ccccc3C[C@@H]2C)c1 58328484 STTHWGZHUKWGNJ-IRXDYDNUSA-N 409.511 3.321 0 40 HGAB C[C@H](NC(=O)Cn1nc(-c2ccc3c(c2)OCCCO3)ccc1=O)c1ccc(F)cc1 58377806 MJBMPBZMXDKOTP-HNNXBMFYSA-N 423.444 3.088 0 40 HGAB CCOC(=O)c1csc(NC(=O)COc2ccc3c(C)c(C)c(=O)oc3c2)n1 62001759 RUPFVPDOMPTTOA-UHFFFAOYSA-N 402.428 3.061 0 40 HGAB biogenic CCOC(=O)c1cccc(NC(=O)CSc2nc3ccccc3n3c(C)nnc23)c1 64948994 CPLZSQJINXTFFW-UHFFFAOYSA-N 421.482 3.493 0 40 HGAB C[C@@H]1CCCN(c2nc3ncn(CC(=O)NCCC4=CCCCC4)c(=O)c3s2)C1 67226096 WLBJOFSDMDWSHU-OAHLLOKOSA-N 415.563 3.096 0 40 HGAB O=S(=O)(c1cccc(F)c1)c1cnc2c(F)cccc2c1N1CCC[C@H]1CO 71775274 YAJBSUBZOMOMRS-AWEZNQCLSA-N 404.438 3.307 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2cccnc2N2CCOCC2)cc1 72216260 LZKKZVWGFITEFL-HXUWFJFHSA-N 401.532 3.143 0 40 HGAB O=C(COc1ccccc1)N1CCN(c2ccccc2)C[C@H](Cc2cnccn2)C1 72353542 DRPRSYIQPZOGCC-FQEVSTJZSA-N 402.498 3.063 0 40 HGAB Cc1cnccc1-c1cnc(NCCNC(=O)c2cccnc2)nc1-c1ccco1 72396867 UPYARKIXZLHOFQ-UHFFFAOYSA-N 400.442 3.344 0 40 HGAB O=C(NC[C@H](c1ccccc1Cl)N1CCOCC1)C1(Br)CCC1 79054606 SQICTGWXCLTVSE-OAHLLOKOSA-N 401.732 3.147 0 40 HGAB Cc1oc(C(=O)O[C@H](C)c2ccc3c(c2)OCO3)cc1S(=O)(=O)N1CCCC1 84028438 FPISSTQKFINZTH-GFCCVEGCSA-N 407.444 3.019 0 40 HGAB O=C(/C=C/c1ccc(S(=O)(=O)NCc2ccco2)cc1)Nc1c(O)cccc1F 89768172 NXBTUUZTCLTTHF-DHZHZOJOSA-N 416.430 3.255 0 40 HGAB COC(=O)c1c(NC(=O)CN2CC[C@H](CN3CCCC3)C2)sc2c1CC[C@@H](C)C2 89930118 KZAWAGDFWRAJQK-HZPDHXFCSA-N 419.591 3.016 0 40 HGAB O=C(CCCC(=O)N1CCN(c2cccc(Cl)c2)CC1)NC[C@H]1C[C@@H]2C=C[C@H]1C2 95475468 CINBZKSZUDJVRV-CEXWTWQISA-N 415.965 3.487 0 40 HGAB CCOc1ccccc1[C@@H](CC(=O)NCCCCNC(=O)OC(C)(C)C)NC(C)=O 96004676 QPNAAZMJUGLIQU-GOSISDBHSA-N 421.538 3.074 0 40 HGAB O=C(C[C@@H]1CC2(CCN(S(=O)(=O)C3CC3)CC2)c2ccccc21)NC1CCC1 96242161 VLXRBQYLCKNORY-MRXNPFEDSA-N 402.560 3.059 0 40 HGAB COc1cc(C(=O)/N=c2\sc3c(OC)ccc(OC)c3n2C)cc(OC)c1OC 100908712 ZISGXUYYGTVWSY-MRCUWXFGSA-N 418.471 3.024 0 40 HGAB O=c1c(NCCc2cccc(F)c2)c(N2CCN(c3cccc(Cl)c3)CC2)c1=O 101711577 QNTYHZVOYHWZJH-UHFFFAOYSA-N 413.880 3.056 0 40 HGAB CCc1c(C)nc2n(c1=O)[C@H](c1ccc(O)c(OC)c1)N=C(Nc1ccc(F)cc1)N2 101981821 JBSCORMMTWIWPL-LJQANCHMSA-N 423.448 3.408 0 40 HGAB Cc1nnc(SCC(=O)/N=c2/cc(-c3ccc(Cl)cc3)[nH]n2C)n1C1CC1 103289968 IXIQCKLWZAUXAM-SILNSSARSA-N 402.911 3.128 0 40 HGAB CCOc1ccccc1N(CCCC(=O)NCc1ccccc1C)S(C)(=O)=O 113962380 MIPSHAOUEMRLHW-UHFFFAOYSA-N 404.532 3.256 0 40 HGAB COc1ccc([C@@H](C)NC(=O)CCCN(c2ccccc2OC)S(C)(=O)=O)cc1 113968012 KDUJAXICCJCWMY-MRXNPFEDSA-N 420.531 3.127 0 40 HGAB CC[C@H]1CCCCN1c1nc(=O)c2c([nH]1)NC(=O)C[C@H]2C(=O)Nc1cc(C)ccc1C 139118365 ULDXRIHSVOQZHL-JKSUJKDBSA-N 423.517 3.220 0 40 HGAB CCC(=O)N(Cc1ccc(F)cc1)[C@@H](Cc1ccccc1)C(=O)NC[C@@H]1CCCO1 223194819 CNOLLPDZNFXUIT-VXKWHMMOSA-N 412.505 3.471 0 40 HGAB O=c1[nH]c2cc(Cl)c(S(=O)(=O)Nc3ccccc3Br)cc2o1 223325496 OMQULRWXXYNNRI-UHFFFAOYSA-N 403.641 3.338 0 40 HGAB Cc1ccc(C)c(N(CC(=O)Nc2nnc(SC(C)C)s2)S(C)(=O)=O)c1 223794027 OZBQSQQFJAJOGH-UHFFFAOYSA-N 414.578 3.060 0 40 HGAB C[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1ccc(F)c(Cl)c1 225862014 NKAUQLBIKNQANI-LLVKDONJSA-N 400.859 3.281 0 40 HGAB Cc1cc(Br)cc(C)c1NC(=O)CCc1ccc(S(N)(=O)=O)cc1 226050788 GMVLCWUICFWZRT-UHFFFAOYSA-N 411.321 3.285 0 40 HGAB C[C@@H]1CCCCN1CCNC(=O)[C@@H]1C[C@H]2CC[C@@]1(C)C[C@@]21NC(=O)c2ccccc2N1 253596392 QTKGBJSIUXKRNT-JGRXOREESA-N 424.589 3.355 0 40 HGAB COc1cccc(CN2CCC[C@]3(CN(Cc4c[nH]c(C)n4)CC(F)(F)C3)C2=O)c1 306128384 GZAVYJLTZBWRFV-NRFANRHFSA-N 418.488 3.377 0 40 HGAB CC(C)n1cnc([C@@H]2CN(Cc3cnn(C(C)C)c3)C[C@]23CCN(CC2CC2)C3=O)c1 306136925 QGVMCKNBZDVLLY-XUZZJYLKSA-N 424.593 3.470 0 40 HGAB O=C(N1CC2(C1)OCC[C@H]2COc1ncccc1F)C12CC3CC(CC(C3)C1)C2 306142946 XOWKBWLQYSZXHQ-XDHFQJGLSA-N 400.494 3.433 0 40 HGAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)N(C)Cc2ccccc2)cc1Cl 408607115 MZWWYANALQEJCF-CQSZACIVSA-N 410.923 3.064 0 40 HGAB COC(=O)c1ccc(NC(=O)CCCN(c2ccc(Cl)cc2)S(C)(=O)=O)cc1 408695346 SAISSRNGBLUYPK-UHFFFAOYSA-N 424.906 3.312 0 40 HGAB Cc1cccc(CSCCNC(=O)[C@H](C)N(c2ccccc2)S(C)(=O)=O)c1 408926099 ONRRNJSZFMNHBR-KRWDZBQOSA-N 406.573 3.199 0 40 HGAB CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(s/c(=C\c3sccc3C)c2=O)=N1 409046540 RMBNSPKSQXVTJK-LYPXWFNGSA-N 424.547 3.168 0 40 HGAB CCOc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)cc1 409127433 CPVYEEGPVFNXJN-CQSZACIVSA-N 416.861 3.274 0 40 HGAB Cc1cccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(OC(C)C)cc3)C2)c1 409138488 COMXSZHKQVRXQW-QGZVFWFLSA-N 410.470 3.317 0 40 HGAB CC(C)[C@@H](O)C(C)(C)CNC(=O)c1ccc(C(=O)NCC(C)(C)[C@H](O)C(C)C)cc1 533158521 CWXLHGDTAUWCOW-WOJBJXKFSA-N 420.594 3.232 0 40 HGAB Cc1ccc(OC[C@]2(O)CCCN(CC(=O)NCc3cccc(F)c3)CC2)c(C)c1 585272422 ITLIASLVQGIYGD-DEOSSOPVSA-N 414.521 3.355 0 40 HGAB CCC(C)(C)n1nnnc1[C@@H](c1cc2ccc(OC)cc2[nH]c1=O)N1CCC(C)CC1 911317 HSSOZBOLGBRERQ-HXUWFJFHSA-N 424.549 3.490 0 40 HGAB Cc1ccc(C(=O)Nc2ccccc2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)cc1 1322303 XGZCRJKXOPENTC-NRFANRHFSA-N 418.449 3.379 0 40 HGAB biogenic COc1cc(-c2oc3c(OC)cc(OC)c(O)c3c(=O)c2OC)cc(OC)c1OC 1611398 NRKZWKQNNBDASC-UHFFFAOYSA-N 418.398 3.217 0 40 HGAB CCO[P@@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1cc(OC)c(OC)c(OC)c1 2371671 QNJGCBSAJXWUHN-NGOKVRLYSA-N 409.419 3.409 0 40 HGAB COc1ccc(NC(=O)c2cc(CN3C(=O)c4ccccc4C3=O)ccc2OC)cn1 2629715 FQDAFXQNCJCREI-UHFFFAOYSA-N 417.421 3.147 0 40 HGAB CC(C)CC(=O)Nc1ccc(C(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)cc1 2637141 CAFPTJGVJBJCEJ-DEOSSOPVSA-N 419.481 3.247 0 40 HGAB CCOC(=O)C1=C(C)N=C2S[C@H](CC)C(=O)N2[C@H]1c1ccc(OC(C)=O)cc1 2702464 KYVGNUXANDEZKD-WBVHZDCISA-N 402.472 3.214 0 40 HGAB O=C(c1ccco1)N(C(=O)c1ccco1)c1nc2ccccc2nc1N1CCOCC1 3267575 NDFBKLPZUWYIPZ-UHFFFAOYSA-N 418.409 3.140 0 40 HGAB O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1CC(=O)N1CCc2ccccc21 3312378 OVVUOZCHSFSPLR-UHFFFAOYSA-N 411.461 3.071 0 40 HGAB COc1ccc(NC(=O)Cc2ccc(S(=O)(=O)N3CCCC3)s2)cc1Cl 3430510 OSDZNISFYYEEOJ-UHFFFAOYSA-N 414.936 3.376 0 40 HGAB Cc1ccccc1NC(=O)Cc1nc(COC(=O)c2ccc(NC(N)=O)cc2)cs1 3533643 JECLSAGVFHQDPK-UHFFFAOYSA-N 424.482 3.480 0 40 HGAB CC(C)Cc1nc(SCc2ccc(Cl)cc2)c2c(=O)n(C)c(=O)n(C)c2n1 4341227 ZSTXGKCZRPDXPV-UHFFFAOYSA-N 404.923 3.171 0 40 HGAB O=C(CCN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)Nc1cc(C(F)(F)F)ccc1Cl 4553489 MFHZNAKGBOYKFZ-UIHHKEIPSA-N 412.795 3.495 0 40 HGAB CC(=O)C1=NN(c2ccc(Cl)cc2)[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]12 4862962 DFAQYSXEXHQLIA-WBVHZDCISA-N 402.237 3.317 0 40 HGAB CCOC(=O)c1ccc(NC(=O)C(=O)NCC2(c3ccc(OC)cc3)CCCC2)cc1 5099951 SXCLGUMLNCZRMS-UHFFFAOYSA-N 424.497 3.439 0 40 HGAB CCCC(=O)N1CCC(c2nc(O)c3nnn(Cc4ccccc4Cl)c3n2)CC1 5642759 JZQDTJDMFAZQFW-UHFFFAOYSA-N 414.897 3.135 0 40 HGAB CCCOc1cccc(C(=O)N(Cc2cccc(OC)c2)[C@@H]2CCS(=O)(=O)C2)c1 6810918 UQKVKQMAHHLLLN-LJQANCHMSA-N 417.527 3.314 0 40 HGAB CCOC(=O)c1c(C)[nH]c(C(=O)CN(C)CC(=O)Nc2ccc(Cl)cc2)c1C 7007370 OOOQHIUTRXRFIU-UHFFFAOYSA-N 405.882 3.215 0 40 HGAB O=C(CNc1cccc(S(=O)(=O)N2CCCCCC2)c1)N1CCc2ccccc21 7974025 VVFVGEIRRKSVIG-UHFFFAOYSA-N 413.543 3.253 0 40 HGAB Cc1nc(-c2cccc(NC(=O)CCn3[nH]c(=O)c4ccccc4c3=O)c2)cs1 8129184 WUEUSFGHHVURAR-UHFFFAOYSA-N 406.467 3.151 0 40 HGAB COc1ccc([C@@H]2CCCCCN2C(=O)CCN2C(=O)NC3(CCCC3)C2=O)cc1 8341003 GPLPTLDTOLYCOC-IBGZPJMESA-N 413.518 3.394 0 40 HGAB COc1ccc(C(=O)N2CC[C@@H]3CCCC[C@@H]3C2)cc1S(=O)(=O)N1CCCC1 8345888 PAPFBBRXWLOWFN-FUHWJXTLSA-N 406.548 3.132 0 40 HGAB O=C(Nc1nnc(S(=O)(=O)N2CCCc3ccccc32)s1)c1cccc(F)c1 8588105 OPDIXAXPMUZGCL-UHFFFAOYSA-N 418.475 3.071 0 40 HGAB CC(=O)Nc1ccc(NC(=O)CSc2nnc3n2CCN3c2ccccc2)cc1 9573922 NGIUCHSNNSJGNE-UHFFFAOYSA-N 408.487 3.119 0 40 HGAB CC1=Nc2ccccc2N=C(NC(=O)CSc2nnnn2C)[C@H]1c1ccc(F)cc1 9614627 LYERQESKDSHLNX-GOSISDBHSA-N 423.477 3.178 0 40 HGAB CCOc1ccccc1CCCNC(=O)CN(c1ccc(CC)cc1)S(C)(=O)=O 10110960 UEFNNMAJPPGJQC-UHFFFAOYSA-N 418.559 3.163 0 40 HGAB COc1ccccc1[C@@H]1CC(=O)c2cnc(N3CCN(c4ccccn4)CC3)nc2C1 10157304 HFXFVDSXESCLKJ-KRWDZBQOSA-N 415.497 3.120 0 40 HGAB COc1ccc(NC(=O)CN(c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)cc1OC 10434046 OPGPOWLLGPUZJP-UHFFFAOYSA-N 420.531 3.406 0 40 HGAB COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1I 10449341 RKGQDDYORMUONM-UHFFFAOYSA-N 415.252 3.051 0 40 HGAB COc1ccc(C)cc1N(CC(=O)N1CCC[C@@H](C)C1)S(=O)(=O)c1ccccc1 10541172 IKRNLNGAJFJYGM-GOSISDBHSA-N 416.543 3.457 0 40 HGAB COc1ccc(N(CC(=O)N2CCC[C@@H](C)C2)S(=O)(=O)c2ccc(C)cc2)cc1 10541250 WMFKBNOBNPMIKL-GOSISDBHSA-N 416.543 3.457 0 40 HGAB CC(=O)c1ccc(N2CCN(C(=O)c3cncc(Br)c3)CC2)c(F)c1 11007108 PTMPWWIXDOFAFH-UHFFFAOYSA-N 406.255 3.148 0 40 HGAB C[C@H]1CN(C(=O)c2cc(S(=O)(=O)N(C)Cc3ccccc3)ccc2Cl)CCO1 11495949 BCMXUYNUUGMNPO-HNNXBMFYSA-N 422.934 3.022 0 40 HGAB O=C(NCCNc1ccc(Nc2ccccn2)nn1)c1cccc(C(F)(F)F)c1 11697356 WFWCIQHAIWBRBC-UHFFFAOYSA-N 402.380 3.476 0 40 HGAB CC(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCN(C(=O)c4cncnc4)C3)cc2N1 12182454 OBFFTNARXCYFTE-DUVNUKRYSA-N 408.428 3.246 0 40 HGAB CCCCN1C(=O)[C@@](NC(=O)C2CCCCC2)(C(F)(F)F)C(C(=O)OC)=C1C 12419946 LSUPQMRGFYUDQP-GOSISDBHSA-N 404.429 3.073 0 40 HGAB CS(=O)(=O)N1CCc2cc(C(=O)N[C@H]3CCSc4c(F)cccc43)ccc21 12899628 VIOOXTRSZZPXQV-INIZCTEOSA-N 406.504 3.115 0 40 HGAB CN(Cc1ccsc1)C(=O)CN1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1 12921987 MCZRIGCGOWNCKF-UHFFFAOYSA-N 415.603 3.067 0 40 HGAB O=C(CCNC(=O)c1cccs1)Nc1ccc(I)cc1 12973425 SDYKKLFNPZTLQQ-UHFFFAOYSA-N 400.241 3.111 0 40 HGAB CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1 14401871 QNQUJPJHHVGADO-NQIIRXRSSA-N 412.486 3.400 0 40 HGAB Cn1ccnc1[C@@H](NC(=O)C1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(F)cc1 14403266 BJBVNIJFDBFZGM-SFHVURJKSA-N 416.497 3.412 0 40 HGAB COc1ccc(-c2noc(Cn3ccn4nc(-c5cccs5)cc4c3=O)n2)cc1 16842792 BVDGRCQSCTZLEP-UHFFFAOYSA-N 405.439 3.331 0 40 HGAB O=C(Cc1ccccc1)NN1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 18255653 HTKNIUAFTGPBAF-ULBZPVTCSA-N 408.457 3.153 0 40 HGAB CCN1CCN(C(=O)c2ccncc2)C[C@@H](Cc2cccc(-c3ccncc3)c2)C1=O 19527594 NQRPYIBSAALOLU-HSZRJFAPSA-N 414.509 3.307 0 40 HGAB Cc1cc(C(=O)N2CCc3nc(N4CCC[C@H](C)C4)[nH]c(=O)c3C2)nc2ccccc12 19660807 QVBWAHKZDQDCTQ-HNNXBMFYSA-N 417.513 3.061 0 40 HGAB CNc1nc([C@H]2CCCCN2C(=O)CCc2ccc(OC)cc2)nc2c1CN(C)CC2 19710424 HYWYPCJDAGLSIO-OAQYLSRUSA-N 423.561 3.201 0 40 HGAB CNC(=O)[C@@]1(Cc2cc(C(C)C)no2)CCN(C(=O)c2c[nH]c3ccc(OC)cc23)C1 19739132 YCBVSYMWWBLWQF-HSZRJFAPSA-N 424.501 3.109 0 40 HGAB COc1cc2c(c(OC)c1)[C@@H](c1cc(OC)c(OC)c(OC)c1)C1=C(COC1=O)N2 20086301 DAPZDGNZIMLFNA-GOSISDBHSA-N 413.426 3.098 0 40 HGAB CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1ccccc1C(=O)NCCCOC 20453663 FGLJCQMZAKMXNT-HXUWFJFHSA-N 400.475 3.258 0 40 HGAB COc1ccc(-c2nc(CC(=O)N[C@@H](C(=O)O)c3ccccc3)cs2)cc1OC 20717834 HNCIVIJKXGXEGA-LJQANCHMSA-N 412.467 3.312 0 40 HGAB Cc1cccc(C)c1NC(=O)CN1CCN(Cc2nc(-c3ccccc3)no2)CC1 20810862 DCXKCNVMKFHDSZ-UHFFFAOYSA-N 405.502 3.110 0 40 HGAB COc1cc(-c2nn3c(-c4cc(C(C)C)n[nH]4)nnc3s2)cc(OC)c1OC 22502301 USWQDOOVCCDRJN-UHFFFAOYSA-N 400.464 3.392 0 40 HGAB O=C([C@H](c1ccccc1)N1CCN(Cc2cn3ccccc3n2)CC1)N1CCCCC1 22926294 VWBKVGNQESJMBY-DEOSSOPVSA-N 417.557 3.206 0 40 HGAB CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)c2ccc3c(c2)CCC3)c1 23587398 NUSHQVCKISRUAC-UHFFFAOYSA-N 421.902 3.119 0 40 HGAB Cc1cc(NC(=O)[C@@H](N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c2ccccc2)no1 24208038 MCVGKSCQZZKDQF-YWZLYKJASA-N 413.499 3.417 0 40 HGAB CC(C)c1c(C(=O)NCc2cccnc2N2CCOCC2)cnn1-c1ccc(F)cc1 24915437 KICKDBNRAMJIOB-UHFFFAOYSA-N 423.492 3.296 0 40 HGAB COC(=O)[C@H]1Cc2ccccc2CN1CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O 25285832 LAAWAQVAQXZKLI-QGZVFWFLSA-N 419.264 3.147 0 40 HGAB O=S(=O)(c1ccc(NC[C@H]2CCCO2)nc1)N1CCC(Cc2ccccc2)CC1 25778331 GQNDGMDDEZQYON-HXUWFJFHSA-N 415.559 3.316 0 40 HGAB O=C(CSc1nc2ncccc2c(=O)n1-c1ccccc1)NCc1cccs1 31613958 ISQOHXMVESVYJB-UHFFFAOYSA-N 408.508 3.251 0 40 HGAB COc1cccc(N2CCN(C(=O)c3ccc4nc(NC(C)=O)sc4c3)CC2)c1 32092577 AENSWOHHFHGHIH-UHFFFAOYSA-N 410.499 3.226 0 40 HGAB COc1ccc(Nc2nc(N3CCN(c4ccccc4)CC3)nc3[nH]cnc23)cc1 32097318 HNKJZEJOYQFKKZ-UHFFFAOYSA-N 401.474 3.432 0 40 HGAB CCN(CC(=O)NCc1cccs1)C(=O)COc1cccc(C(F)(F)F)c1 32999691 FBNBZKXYBKNXDW-UHFFFAOYSA-N 400.422 3.311 0 40 HGAB COc1ccc(OC)c(NC(=O)CSCc2cc(=O)c3cccc(OC)c3[nH]2)c1 33064275 QYQOOVPAMICYDR-UHFFFAOYSA-N 414.483 3.426 0 40 HGAB C[C@@H](C(=O)Nc1cccc(OCc2ccccn2)c1)N1C(=O)c2ccccc2C1=O 33181661 QCEPHOGRCQEBMF-HNNXBMFYSA-N 401.422 3.284 0 40 HGAB COc1ccc(CN(C)Cc2nc3sc4c(c3c(=O)[nH]2)CCC4)c(OC)c1OC 33433297 AEMULVCIGZXEBK-UHFFFAOYSA-N 415.515 3.131 0 40 HGAB O=C(CN1CCN(C(=O)CCCc2c[nH]c3ccccc23)CC1)Nc1cccc(F)c1 35400036 SXPMXPDZWDPWSS-UHFFFAOYSA-N 422.504 3.413 0 40 HGAB COc1ccccc1N1CCN(C[C@@H](O)CO[C@@H]2C[C@H]3CC[C@]2(C)C3(C)C)CC1 35590750 SWFMYEJWXJGCLJ-FSNSLZAISA-N 402.579 3.410 0 40 HGAB Cc1c(Cl)ccc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@H]2CCCN21 35844133 OIQLTZDNZIKXLG-ZHSNQQFMSA-N 421.884 3.080 0 40 HGAB CC(=O)Nc1cccc(NC(=O)c2ccc(Cn3cnc4ccccc4c3=O)o2)c1 36357797 VBLRIOFHWPFSEY-UHFFFAOYSA-N 402.410 3.249 0 40 HGAB CCOc1ccc(N2C[C@@H](C(=O)NCCCCN3CCCC[C@@H]3C)CC2=O)cc1 40108153 QXHIVMDJNHJBNT-OALUTQOASA-N 401.551 3.209 0 40 HGAB CCc1nn2c(nnc3c(=O)n([C@@H](C(=O)O)C(C)C)ccc32)c1-c1ccc(F)cc1 40391726 VZBOVXMOMCRJHW-GOSISDBHSA-N 409.421 3.089 0 40 HGAB O=C1CC(N2C3=[N+](CCCCC3)C[C@@]2(O)c2ccc(F)cc2)=NN1c1ccccc1 44033626 DPLZFJJETSTRGS-HSZRJFAPSA-N 407.469 3.022 0 40 HGAB Cc1cc(C)cc(OC[C@H](O)CN2CCC(NC(=O)c3ccc(F)cc3)CC2)c1 45822012 RPHPMMQMCWUPMM-OAQYLSRUSA-N 400.494 3.077 0 40 HGAB O=C(CCCOc1ccccc1Br)N1CCN(c2nccs2)CC1 47798949 NLOJBKYNGDPZTB-UHFFFAOYSA-N 410.337 3.413 0 40 HGAB Cc1ccc(NC(=O)Cn2nc3nc(Nc4ccc(F)cc4)ccn3c2=O)c(C)c1 49410786 ZRRMEIXKLYLLQA-UHFFFAOYSA-N 406.421 3.029 0 40 HGAB CCCOC(=O)c1ccc(NC(=O)C(=O)N2CCc3[nH]c4ccccc4c3C2)cc1 49543566 PUOYCCFUUZCGQQ-UHFFFAOYSA-N 405.454 3.258 0 40 HGAB biogenic COc1ccc(C)cc1CC(=O)N(C)CCN(C)C(=O)Cc1cc(C)ccc1OC 53965497 QWKUROKFKHGQQR-UHFFFAOYSA-N 412.530 3.023 0 40 HGAB Cc1ccc(NC(=O)Cn2c(=O)n(CCc3cccs3)c(=O)c3ccccc32)cc1 57473194 AREDWIRCTKIZEK-UHFFFAOYSA-N 419.506 3.415 0 40 HGAB CN(Cc1ccccc1)c1nc2ncn(CC(=O)Nc3ccccc3F)c(=O)c2s1 67225741 YYOICNPMADTPEK-UHFFFAOYSA-N 423.473 3.267 0 40 HGAB COc1cccc2cc(C(=O)Nc3ccccn3)/c(=N/c3ccc(C(N)=O)cc3)oc12 67293498 JNHRZGXBPIHYLF-RWEWTDSWSA-N 414.421 3.420 0 40 HGAB Cc1ccc(C)c(N2CCN(c3ncc(C(=O)Nc4ccccc4)c(N)n3)CC2)c1 67336579 PIZIZCKCHHTTMW-UHFFFAOYSA-N 402.502 3.255 0 40 HGAB Cc1ccc(S(=O)(=O)NCCNc2nc(C)nc3sc4c(c23)CCC4)cc1 71840372 WKLPBLTVMYSTLG-UHFFFAOYSA-N 402.545 3.187 0 40 HGAB Cc1cccc(Cc2cc(C)nc([C@@H]3CCCN(C(=O)c4ccc(=O)n(C)n4)C3)c2)c1 72354126 PZBPNFDXIYCPTM-OAQYLSRUSA-N 416.525 3.403 0 40 HGAB C[C@@H](C[C@H](O)c1ccco1)NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 84637134 WOGLAICMAMLOPL-KXBFYZLASA-N 414.483 3.322 0 40 HGAB O=C(Nc1cccc(-c2nnn[nH]2)c1)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F 89780578 VGVLNHBFQZTZER-UHFFFAOYSA-N 417.326 3.463 0 40 HGAB Cc1ccc(CNC(=O)C2=NO[C@@]3(CCCN(C(=O)NC4CCCCC4)C3)C2)cc1 96225387 NIEYJPRVNAXCKK-QHCPKHFHSA-N 412.534 3.264 0 40 HGAB Cc1cnc(-c2nnc([C@H]3CC[C@H](CNC(=O)c4ccc5c(c4)OCO5)CC3)o2)cn1 100156186 PNVJYYNRKUWORX-GASCZTMLSA-N 421.457 3.268 0 40 HGAB O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@@H]2C1=O)Nc1ccc(Oc2ccccc2)cc1 100283426 BHLDCODYWYEGSQ-KLNNNFBISA-N 414.461 3.471 0 40 HGAB CCOC(=O)Cn1/c(=N/C(=O)c2coc3ccccc3c2=O)sc2ccccc21 100877257 ZVYDIDVWIVCCIX-DQRAZIAOSA-N 408.435 3.113 0 40 HGAB COc1cc(C(=O)/N=c2\sccn2CC(=O)c2ccccc2)cc(OC)c1OC 108041126 KPPFDRHOUILGCP-DQRAZIAOSA-N 412.467 3.199 0 40 HGAB CCOC(=O)[C@]1(CN)[C@H](c2ccc(C)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218587561 OMBKGVQRHQKMII-WSTZPKSXSA-N 407.919 3.096 0 40 HGAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CCCN1C(=O)c2ccccc2C1=O 219139383 OKDYFIRPABIRTE-LJQANCHMSA-N 422.481 3.490 0 40 HGAB CC[C@H](NC(=O)c1cccc(N(C)S(C)(=O)=O)c1C)c1ccc(OC)c(OC)c1 222443807 KTKCYMVTAZEXQP-KRWDZBQOSA-N 420.531 3.289 0 40 HGAB CC(C)c1nc(Cc2ccc(NS(=O)(=O)c3ccc4[nH]c(=O)oc4c3)cc2)no1 223028587 PAZSCJXCKVYSDD-UHFFFAOYSA-N 414.443 3.019 0 40 HGAB Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)NC3CCCCCCC3)s2)cc1 223755696 LJLWDKHTZCSNRE-UHFFFAOYSA-N 408.549 3.490 0 40 HGAB CCc1cc(S(=O)(=O)N(C)Cc2nc(-c3ccc(C)cc3)no2)ccc1OC 223781234 IABDZLJHPNRVKR-UHFFFAOYSA-N 401.488 3.437 0 40 HGAB CCc1ccc(CC)c(CNC(=O)[C@H](C)N(c2ccc(OC)cc2)S(C)(=O)=O)c1 223924763 HQIVEXNJHZHQLN-INIZCTEOSA-N 418.559 3.291 0 40 HGAB COc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)NC[C@@H]3CCCO3)c2)cc1 224071137 ICXDOLZQKQKCDX-HNNXBMFYSA-N 424.906 3.058 0 40 HGAB CC[C@@H](C(=O)NCCOc1ccc(Cl)cc1)N(c1ccc(C)cc1)S(C)(=O)=O 224303359 IIZOEHPSZHHJCF-IBGZPJMESA-N 424.950 3.388 0 40 HGAB Cc1ccc(N(CC(=O)Nc2ccc(N3CCCC3)cc2)S(C)(=O)=O)c(C)c1 224903763 WQESQDNBHXGIJK-UHFFFAOYSA-N 401.532 3.308 0 40 HGAB COc1ccccc1[C@@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1 225530798 LZRJFPKNCXYCCO-QZTJIDSGSA-N 416.543 3.282 0 40 HGAB O=C(CN1CCN(c2cccc(Cl)c2)C1=O)N1CCC(Oc2ccncc2)CC1 244914799 BEGIRYLGMAKXSX-UHFFFAOYSA-N 414.893 3.047 0 40 HGAB CC1(C)Oc2c(O)cccc2[C@@H]2O[C@@H]3CCCN(C(=O)CCCC(=O)O)[C@@H]3C[C@H]21 257258810 KVQNOVWRARDLPX-YVTWGWGSSA-N 403.475 3.255 0 40 HGAB COc1cccc(C(=O)N2[C@H]3CC[C@H]2[C@]2(CCN(Cc4csc(C)n4)C2=O)C3)c1 306139537 SZUZCEIGHIVXMQ-JLMWRMLUSA-N 411.527 3.256 0 40 HGAB CC(C)OC(=O)c1ccc(N2C[C@H](C(=O)O[C@H](C)C(=O)c3ccccc3)CC2=O)cc1 408636642 BLALWTPMEMMWQG-VQIMIIECSA-N 423.465 3.419 0 40 HGAB NN1C2=NC(=O)[C@H](CC(=O)Nc3ccc(Cl)c(Cl)c3)CN2c2ccccc21 618255939 BXZWNOIGPCDAGF-SNVBAGLBSA-N 404.257 3.035 0 40 HGAB CN1CCN(C(=O)c2nn(-c3cc(C(F)(F)F)ccc3Cl)c3c2CCC3)CC1 623134536 SDXHQNJSTSDIAC-UHFFFAOYSA-N 412.843 3.421 0 40 HGAB O=C(NC1CCNCC1)C1(Cc2ccc(-c3cc(F)ccc3O)cc2)CCOCC1 643550609 LCSGJFQUIAZMJJ-UHFFFAOYSA-N 412.505 3.406 0 40 HGAB C[C@H]1CCS(=O)(=O)CCN1C(=O)c1cnc(-c2ccc(C(F)(F)F)cc2)s1 683344312 ROXUAVKNDAFJEY-NSHDSACASA-N 418.462 3.478 0 40 HGAB C[C@@H]1OC[C@]2(CC[C@H](CNC(=O)c3c[nH]c4ncc(Br)cc34)O2)[C@@H]1C 1652140644 IOHVDNHNHOGLGV-ZSMOCIRGSA-N 408.296 3.028 0 40 HGAB Cc1ccc(-c2ccc(N3CCN(Cc4nnc(C5CCOCC5)o4)CC3)nn2)cc1 1775976583 BPIAWGOXYYUGKP-UHFFFAOYSA-N 420.517 3.051 0 40 HGAB CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)OCC(=O)c1ccc(Cl)s1 3302256 HULUTNWUJIAXQP-OAHLLOKOSA-N 404.875 3.356 0 40 HGAB COCCn1c(SCC(=O)NCc2ccccc2)nc2cc(Cl)ccc2c1=O 3494181 VGDRTEDXJDUVPM-UHFFFAOYSA-N 417.918 3.105 0 40 HGAB CCc1ccc([C@@H]2[C@H](C(=O)OC(C)C)C(=O)C[C@@](C)(O)[C@@H]2C(=O)OC(C)C)cc1 4112361 VBEOCZTYICTUGT-ISHFTEKXSA-N 404.503 3.192 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC3(CC2)CC(=O)c2ccccc2O3)cc1C 4505681 PAVOJWUJJLTPQQ-UHFFFAOYSA-N 401.484 3.192 0 40 HGAB C[C@@H](Sc1nnc(-c2ccccc2F)n1C)C(=O)Nc1ccc2c(c1)OCO2 4520262 RYJGIRHRRGBBPC-LLVKDONJSA-N 400.435 3.469 0 40 HGAB Cc1ccc(SCCNC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)cc1 4839008 HMOFHLQJGCMKGB-UHFFFAOYSA-N 412.964 3.323 0 40 HGAB CCN(Cc1nc(-c2ccc(OC)c(OC)c2)no1)C(=O)COc1ccc(C)cc1 4943629 WLXBNAZQBMPCBV-UHFFFAOYSA-N 411.458 3.490 0 40 HGAB COc1ccccc1N1C[C@@H](C(=O)O[C@H](C)C(=O)c2c[nH]c3ccccc23)CC1=O 5189306 DXYUWVBNNRJMRT-CABCVRRESA-N 406.438 3.344 0 40 HGAB Cc1ccc(/C=C(/NC(=O)c2ccc(C)cc2)C(=O)NCCCn2ccnc2)cc1 5318738 AQPJIRFFOASZIM-CJLVFECKSA-N 402.498 3.477 0 40 HGAB Cc1cc(-n2c(C)cc(C(=O)CSc3nnnn3-c3cccc(F)c3)c2C)no1 5796598 NFGGMXNJNXFIMU-UHFFFAOYSA-N 412.450 3.480 0 40 HGAB CCCOc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc(C(N)=O)cc2)cc1OCC 6179694 QKVSXABYYQXDQT-CQSZACIVSA-N 414.458 3.157 0 40 HGAB COc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCC3)C2=O)ccc1OC(C)C 6345899 PPWNAQGCZZFSPG-BOPFTXTBSA-N 404.488 3.141 0 40 HGAB COc1cn(-c2ccccc2)nc1C(=O)O[C@@H](C)C(=O)c1[nH]c(C)c(C(C)=O)c1C 7855278 NKWXOPPPFYOIIN-HNNXBMFYSA-N 409.442 3.457 0 40 HGAB O=C(CNc1ccc(Cl)cc1F)Nc1cccc(S(=O)(=O)N2CCCC2)c1 7972672 LJSYHBPOKGMRKH-UHFFFAOYSA-N 411.886 3.314 0 40 HGAB Cc1cc(Br)cc(Cl)c1OC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O 8345825 WNVKQUUFXHZADM-INIZCTEOSA-N 415.671 3.037 0 40 HGAB CCOC(=O)c1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccc(C)cc2)cc1 8413321 SPPNWZDAJQMURH-UHFFFAOYSA-N 412.442 3.072 0 40 HGAB C[C@H]1Cc2ccccc2N1S(=O)(=O)c1nnc(NC(=O)c2cccc(F)c2)s1 8588130 OWKXTIUTXAZQLD-NSHDSACASA-N 418.475 3.069 0 40 HGAB CSc1nc(NCC(C)C)c2cnn(CCNC(=O)c3ccc(F)cc3)c2n1 8942465 ASTNXJPYNJFGKY-UHFFFAOYSA-N 402.499 3.185 0 40 HGAB COc1ccccc1Cc1nnc(NC(=O)[C@H]2CC(=O)N(C3CCCCC3)C2)s1 9426516 WSOKMWIDOAUENT-HNNXBMFYSA-N 414.531 3.257 0 40 HGAB COc1ccc(C(=O)Nc2nc(CC(=O)NCc3cccs3)cs2)cc1OC 9628151 RBEHMJHCIYZOPH-UHFFFAOYSA-N 417.512 3.333 0 40 HGAB COC(=O)[C@@H]1CN(C(=O)CN(C)Cc2ccc(C(C)(C)C)cc2)c2ccccc2O1 11201926 JGGCSOXETFTJLT-NRFANRHFSA-N 410.514 3.383 0 40 HGAB COc1ccc(Nc2nc(Nc3ccccc3)nc(N3CCOCC3)n2)cc1OC 11613421 QFABZFLHBBYGGT-UHFFFAOYSA-N 408.462 3.213 0 40 HGAB Cc1ccccc1OCCn1c(=O)oc2cc(S(=O)(=O)N3CCCCC3)ccc21 11689714 FCBDJQQFBJETEL-UHFFFAOYSA-N 416.499 3.157 0 40 HGAB Cc1ccc2c(c1)C(=O)C[C@@H](C1CCN(C(=O)c3cc(-c4cnn(C)c4)no3)CC1)O2 12154168 CUAVBUYCCCWFQA-NRFANRHFSA-N 420.469 3.270 0 40 HGAB Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)N[C@H](C)c1cccc(S(N)(=O)=O)c1 12856896 GHSBSDDZDLRTSF-OAHLLOKOSA-N 424.588 3.288 0 40 HGAB CCOc1ccc(N([C@H](C)C(=O)N2CCCc3ccccc32)S(C)(=O)=O)cc1 13646832 SQTOCWVWNHZSHA-MRXNPFEDSA-N 402.516 3.219 0 40 HGAB Cc1cccc(OCC(=O)N2CCN(Cc3nc(-c4cccs4)no3)CC2)c1C 14422017 UMFMLIFCSPAGSX-UHFFFAOYSA-N 412.515 3.138 0 40 HGAB C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)NCCOc2ccccc2)cc1 16009445 JUEZILMTVYBQFW-KRWDZBQOSA-N 402.516 3.059 0 40 HGAB COc1cccc2cc(C(=O)NCc3ccc(C(=O)N4CCCCC4)cc3)c(=O)oc12 16142587 CLOGJOQRNUWNOP-UHFFFAOYSA-N 420.465 3.358 0 40 HGAB CN(CCCC(=O)NCCc1c[nH]c2ccccc12)S(=O)(=O)c1ccc(F)cc1 17295840 PEUKWBVJDZUTRG-UHFFFAOYSA-N 417.506 3.067 0 40 HGAB COCc1nn2c(O)cc(CCn3nc(C)nc3C)nc2c1-c1ccc(Cl)cc1 19286034 HVBREXZEBPFRCG-UHFFFAOYSA-N 412.881 3.353 0 40 HGAB O=C(Cc1ccccc1)N[C@@H](Cc1cc(=O)[nH]c(N2CCCC2)n1)c1ccc(F)cc1 19370328 PQZRMHSQQPTWFW-NRFANRHFSA-N 420.488 3.152 0 40 HGAB CN(C)C(=O)[C@@]1(Cc2cccc(-c3cccnc3)c2)CN(Cc2ccncc2)CCO1 19580922 KFNQXUXILIAROE-RUZDIDTESA-N 416.525 3.046 0 40 HGAB Cc1cc(OCC(=O)NCC2(N3CCN(C)CC3)CCCCC2)cc(C)c1Cl 19902162 FKNPUTFWWVCFOZ-UHFFFAOYSA-N 407.986 3.402 0 40 HGAB O=C(NCc1ccc(F)cc1)C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1 20492642 MLYHVYYCWVNQQI-UHFFFAOYSA-N 424.925 3.337 0 40 HGAB COc1ccc(CNC(=O)c2nnc(-c3cccc(Br)c3)o2)cc1OC 20714431 XLVKEHHFEJFKMH-UHFFFAOYSA-N 418.247 3.446 0 40 HGAB COc1ccc(C(=O)Nc2nn3c(COc4ccccc4)nnc3s2)cc1OC 20902148 FRWUHYLNQLELBV-UHFFFAOYSA-N 411.443 3.034 0 40 HGAB Cc1c(Cl)cccc1N(CC(=O)NCCCc1ccc(F)cc1)S(C)(=O)=O 22337213 CXQJUOSBNMTKDL-UHFFFAOYSA-N 412.914 3.303 0 40 HGAB CCOc1cccc(N(CC(=O)N[C@@H](CC)c2ccc(C)cc2)S(C)(=O)=O)c1 22398152 WHXIFILXTLFZIP-FQEVSTJZSA-N 404.532 3.427 0 40 HGAB Cc1cc(C)c(NC(=O)[C@@H](C)OC(=O)c2cccc(NS(C)(=O)=O)c2)c(C)c1 23534729 PBPQJBXNSWSSID-OAHLLOKOSA-N 404.488 3.167 0 40 HGAB CNC(=O)c1ccc(CN(C2CC2)S(=O)(=O)c2ccccc2Br)cc1 24830509 JHKUVLUEDXDRDR-UHFFFAOYSA-N 423.332 3.162 0 40 HGAB Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N(Cc2ccccc2)C(C)C)CC1 25009371 SJPOWMHJQQWHGJ-UHFFFAOYSA-N 419.547 3.129 0 40 HGAB CCN(CC(=O)Nc1cccc(OC)c1)C(=O)c1cccc(Nc2ncccn2)c1 25087405 HEAYHIOFFQCPDC-UHFFFAOYSA-N 405.458 3.330 0 40 HGAB Cc1c(C)n(C[C@@H](O)CN2C(=O)c3ccccc3S2(=O)=O)c2c(Cl)cccc12 28296775 ZRAGEMFDXHNXKG-CQSZACIVSA-N 418.902 3.117 0 40 HGAB O=C(Nc1nc(-c2ccc3c(c2)OCCO3)cs1)c1cccnc1N1CCOCC1 29120958 XEJYTIQJBZMBAC-UHFFFAOYSA-N 424.482 3.065 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCCSCc1ccco1 31252582 DAVJEIKUGAIGNM-UHFFFAOYSA-N 422.572 3.426 0 40 HGAB COc1ccc([C@H](NC(=O)[C@@H](NC(=O)c2ccccc2)C(C)C)c2nccn2C)cc1 32495931 YOJKVFAGYCLAIY-SFTDATJTSA-N 420.513 3.089 0 40 HGAB Cc1noc(C(C)C)c1C(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1 32738058 CSAOXQODOIVPOX-OKILXGFUSA-N 421.519 3.157 0 40 HGAB CC(=O)Nc1cc(NC(C)=O)cc(C(=O)OCc2cc(Cl)c3c(c2)OCO3)c1 32739501 VQKBAOKGUAPUAZ-UHFFFAOYSA-N 404.806 3.343 0 40 HGAB NC(=O)N[C@H](CC(=O)NCCc1ccccc1F)c1ccc(Br)cc1 32796274 KGJMPEAIYGAORG-MRXNPFEDSA-N 408.271 3.047 0 40 HGAB CC(C)[C@H](NC(=O)c1ccco1)C(=O)NCc1cccc(NC(=O)c2ccco2)c1 32817406 CINVPOVOLNSWSJ-IBGZPJMESA-N 409.442 3.196 0 40 HGAB COc1cc(NC(=O)Nc2ccc(CN3CCN(C)CC3)cc2)cc(OC)c1OC 35598054 LXZRXSJREJSGCY-UHFFFAOYSA-N 414.506 3.104 0 40 HGAB C[C@@H](CCc1ccccc1)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 38279781 JQTWVGNQOVBIEA-AZUAARDMSA-N 400.544 3.225 0 40 HGAB CCc1ccc(NC(=O)[C@@H]2CCN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cc1 38835408 WKAIXUSWRNMTOS-SFHVURJKSA-N 408.907 3.458 0 40 HGAB Cc1nccn1Cc1ccc(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 38850198 OASUBUAVEFYXOF-UHFFFAOYSA-N 401.470 3.290 0 40 HGAB CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCOc2cccc(Cl)c2)c1 40113678 BVXTYQUBPKTESE-UHFFFAOYSA-N 417.314 3.053 0 40 HGAB NC(=O)c1cccc(-c2nc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)cs2)c1 48363732 IHAZGODRHMUONI-UHFFFAOYSA-N 413.524 3.361 0 40 HGAB COc1ccc(CCNC(=O)c2nnn(-c3cccc(Cl)c3)c2C)cc1OC 51317674 YCFLNRQINQTWFL-UHFFFAOYSA-N 400.866 3.219 0 40 HGAB Cc1ccc(-n2c(=O)c3sccc3n(CC(=O)N(C)c3ccccc3)c2=O)c(C)c1 57492994 AIRUHWNLDHBMRP-UHFFFAOYSA-N 419.506 3.494 0 40 HGAB CCc1cc(=O)n(CC(=O)Nc2ccccc2C(=O)OC)c(-c2ccc(F)cc2)n1 57508603 YYQBHTVOSLIPTE-UHFFFAOYSA-N 409.417 3.037 0 40 HGAB COc1ccc(Cn2nnnc2[C@H](C(C)C)N2CCN(c3ccc(F)cc3)CC2)cc1 57671046 KOYWHHNUVUWGAF-QFIPXVFZSA-N 424.524 3.388 0 40 HGAB Cc1cc(N2C[C@H](C(=O)N(C[C@@H]3CCOC3)C3CC3)CC2=O)ccc1Br 58431067 JRWLUIJMSSQIKN-LSDHHAIUSA-N 421.335 3.138 0 40 HGAB Cc1ccc(CNC(=O)Cn2nnc(C(=O)Nc3ccc(C)cc3Cl)c2C)cc1 71327254 CSEDEQZOHJALHB-UHFFFAOYSA-N 411.893 3.425 0 40 HGAB CCNC(=O)N1CCc2ccc(NS(=O)(=O)c3ccc(OC)c(Cl)c3)cc21 72301176 LGTSEVSSJBPBBH-UHFFFAOYSA-N 409.895 3.241 0 40 HGAB Cc1ccc(CNC(=O)c2nnc(CSCC(=O)Nc3ccccn3)s2)cc1 72313678 IJRRZNQPJTXZRI-UHFFFAOYSA-N 413.528 3.043 0 40 HGAB COc1ccccc1CC(=O)N1CCC[C@@H](c2nc(C)ncc2-c2noc(C)n2)C1 72356438 COFHVOVDNHCTOF-QGZVFWFLSA-N 407.474 3.101 0 40 HGAB Cc1ccc(CN2CCN(c3c(F)cccc3[C@H](O)c3nccn3C)CC2)s1 72389648 LGKYALRZFSQQAV-FQEVSTJZSA-N 400.523 3.333 0 40 HGAB O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)OCc1nc2ccccc2n1C(F)F 84600676 AZLBAIUKARVFFL-STQMWFEESA-N 405.401 3.040 0 40 HGAB COc1ccc(Cc2nnc(SCC(=O)Nc3cccc4ccccc34)n2N)cc1 89444079 BTBSQTDZLSDWJI-UHFFFAOYSA-N 419.510 3.475 0 40 HGAB COCCN1C(=O)[C@@H]2C[C@@H](CN2Cc2ccc3ccccc3n2)Oc2ccccc21 96111932 CXZLULYBAQTYQU-UGKGYDQZSA-N 403.482 3.250 0 40 HGAB biogenic,in-vitro O=S(=O)(/C=C/c1ccccc1)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 98064883 VGZJUWCPQNJXDM-JLHYYAGUSA-N 421.525 3.357 0 40 HGAB COc1ccc(C(=O)C2=NO[C@@H]3C(=O)N(c4cc(Cl)ccc4Cl)C(=O)[C@H]23)cc1 100355427 UTVVXPCCLMBEDA-PBHICJAKSA-N 419.220 3.129 0 40 HGAB C[C@@H](OC(=O)c1ccccc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)C(=O)c1ccccc1 100603666 NOSQYNFDECZMMB-XMWJODTMSA-N 415.445 3.426 0 40 HGAB COc1ccccc1N1C(=O)NC(=O)/C(=C(O)\C=C\c2c[nH]c3ccccc23)C1=O 101369802 CTEVERMZFREHRJ-FVZMSGPBSA-N 403.394 3.285 0 40 HGAB COCCCNC(=O)c1ccc(CN(c2c(C)cccc2C)S(C)(=O)=O)cc1 113964834 GEQGGXOMQISGBA-UHFFFAOYSA-N 404.532 3.036 0 40 HGAB O=C(Nc1cnn(C[C@@H]2COc3ccccc3O2)c1)c1cc(-c2cccs2)[nH]n1 206839111 UTCTXUUNJHHYTK-CQSZACIVSA-N 407.455 3.427 0 40 HGAB O=C(Nc1cccc(F)c1)[C@@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 216231567 RYLDZDHQXKNYGV-GOSISDBHSA-N 404.507 3.439 0 40 HGAB CN(C)S(=O)(=O)c1ccc(C(=O)N2CCS[C@@H](c3cccs3)CC2)cc1 219489420 QPLHZHDGIASFLW-QGZVFWFLSA-N 410.586 3.319 0 40 HGAB CCOC(=O)c1ccccc1NC(=O)[C@@H](CC)N(c1ccccc1F)S(C)(=O)=O 220587103 OKFAQOUSARAXTA-QGZVFWFLSA-N 422.478 3.186 0 40 HGAB CCCNS(=O)(=O)c1cc(C(=O)NCc2cccc3ccccc23)ccc1OC 222921123 QDNMQMZTQKTAFV-UHFFFAOYSA-N 412.511 3.467 0 40 HGAB O=C(O)c1cccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCCO)o2)c1 223631444 XJGOBEMPWVNIIS-WOJBJXKFSA-N 423.494 3.395 0 40 HGAB CC[C@H](NS(=O)(=O)c1ccc(OC)c(C)c1C)c1ccc(S(C)(=O)=O)cc1 224251144 ZAYXUFBCVLMZDV-KRWDZBQOSA-N 411.545 3.145 0 40 HGAB COC(=O)c1ccc(CS(=O)(=O)Nc2nnc(-c3ccc(C)cc3)s2)cc1 224280005 HMIUBCVISJZSFH-UHFFFAOYSA-N 403.485 3.242 0 40 HGAB CCOC(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccc(OC)c(C)c1 224646046 AHPPBUKVSHGLAO-UHFFFAOYSA-N 407.488 3.079 0 40 HGAB CS(=O)(=O)N(CCCC(=O)NCCOCc1ccccc1)c1ccccc1Cl 224669007 YHOCGMNBQKKMCC-UHFFFAOYSA-N 424.950 3.219 0 40 HGAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@@H](c1ccccc1)N(C)S(C)(=O)=O 224937484 QRXNHYRPAAYRBB-AZUAARDMSA-N 416.543 3.346 0 40 HGAB CCOC[C@]1(CN)[C@@H](c2ccc(Br)cc2)[C@H]1S(=O)(=O)c1ccccc1 242592420 OTWBSRSMBMOJHH-IPMKNSEASA-N 424.360 3.370 0 40 HGAB COc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]3[C@@H]3CCCN32)cc1 248140551 PPKBCXDRJPIAHD-HAGHYFMRSA-N 424.884 3.184 0 40 HGAB O=S(=O)(NC[C@@](O)(c1ccsc1)c1cccs1)c1cccc2nsnc12 253400337 LDUOXFWVWXTSLL-MRXNPFEDSA-N 423.566 3.029 0 40 HGAB COc1cccc2c1OC(C)(C)[C@H]1CC3(CO[C@H]21)CN(C(=O)c1cncnc1C)C3 257226637 FLMCPDWMGTXCBV-PKOBYXMFSA-N 409.486 3.185 0 40 HGAB O=C(c1ccccc1CN1CCCC1)N1CCOC[C@@H](Cc2cccn3nccc23)C1 257338816 YZBJZTLKFJUNTN-FQEVSTJZSA-N 418.541 3.261 0 40 HGAB COCCNC(=S)Nc1nc(N2CCC(C)CC2)cc(N2CCCC[C@H]2C)n1 260742357 VMEJQFVEWJAYLC-MRXNPFEDSA-N 406.600 3.025 0 40 HGAB O=C1c2cccn2[C@H]2CN(Cc3ccc4c(c3)OCO4)C[C@@H]2N1Cc1ccc(F)cc1 306123991 BCMFGUKFQMKVQU-SFTDATJTSA-N 419.456 3.437 0 40 HGAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)NCCC2=CCCCC2)cc1Cl 408550159 AQBNMYDICISPFN-CYBMUJFWSA-N 400.928 3.022 0 40 HGAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N(C)Cc2ccccc2)cc1Cl 408607112 MZWWYANALQEJCF-AWEZNQCLSA-N 410.923 3.064 0 40 HGAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCc2ccc(Cl)cc2)cc1C 408607767 OGWVVCJRJIVLET-AWEZNQCLSA-N 410.923 3.030 0 40 HGAB CCOc1ccc(C(=O)NCCC2=CCCCC2)cc1S(=O)(=O)N1CCCC1 408696841 FEBMUGGOVDTZSP-UHFFFAOYSA-N 406.548 3.490 0 40 HGAB CCn1c(SCC(=O)Nc2ccccn2)nnc1[C@H](C)NC(=O)c1ccc(C)cc1 409137363 WCIDGFKLBFJXNA-HNNXBMFYSA-N 424.530 3.223 0 40 HGAB O=C(CNS(=O)(=O)c1ccc(Cl)cc1)NCc1ccc(Cl)cc1Cl 409139458 AXIHBVAHFHVEAG-UHFFFAOYSA-N 407.706 3.242 0 40 HGAB COc1ccc(C)cc1-n1ccc(C(=O)NCC2(N(C)C)Cc3ccccc3C2)n1 525034880 LGBGJNRCDQCZTQ-UHFFFAOYSA-N 404.514 3.018 0 40 HGAB O=C1NC2(CCCCC2)C(=O)N1Cc1nc(-c2ccc(OC(F)(F)F)cc2)no1 545606234 JSROFYCUNSDKOJ-UHFFFAOYSA-N 410.352 3.390 0 40 HGAB CC(=O)Nc1ncc(S(=O)(=O)Nc2cc(-c3cncc(F)c3)ccc2C)s1 564059230 KMUVIZAHQVVOMT-UHFFFAOYSA-N 406.464 3.412 0 40 HGAB C[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@]12CCCN(c1ncnc3ccsc13)CC2 585100641 RIXIEHWLTUCKHS-QYWGDWMGSA-N 400.548 3.468 0 40 HGAB CN1CCOc2ccccc2CCCCC2(CCN(Cc3cncn3C)CC2)C1=O 643562491 MQAHYQNVHPTRRD-UHFFFAOYSA-N 410.562 3.266 0 40 HGAB O=C(CCc1ccccc1)N[C@@H]1CCC12CCN(C(=O)c1ncc(Cl)cn1)CC2 1614937986 PTRWHEQJPNZXSC-GOSISDBHSA-N 412.921 3.264 0 40 HGAB COc1ccccc1-c1ccc(N2CC(N(C)c3nc(C)nc4cnccc34)C2)nn1 1888928823 JTFKTHJNVZXJGX-UHFFFAOYSA-N 413.485 3.124 0 40 HGAB CCCCC(=O)N1CCC(COc2ccccc2)(CC(=O)N2CCN(C)CC2)CC1 2037905404 AKZPQFSURWKSDN-UHFFFAOYSA-N 415.578 3.029 0 40 HGAB CC(C)[C@H](C(=O)OCC(=O)Nc1ccc(Cl)cc1)N1C(=O)c2ccccc2C1=O 1916966 PNSFUZFEVSPYLQ-GOSISDBHSA-N 414.845 3.143 0 40 HGAB COc1ccc2c(c1OC)C(=O)O[C@@H]2N1C(=O)CC[C@@H]1C(=O)Nc1cc(C)ccc1C 2096315 HLGXCWYPDZVPGK-ZHRRBRCNSA-N 424.453 3.119 0 40 HGAB biogenic COc1ccc(NC(=O)CN(Cc2ccco2)S(=O)(=O)c2ccc(F)cc2)cc1 3364913 QWGRWXJSWNEWIX-UHFFFAOYSA-N 418.446 3.257 0 40 HGAB O=S(=O)(c1cccc(-c2nnc(SC[C@H]3CCCO3)o2)c1)N1CCCCC1 3388710 LUGXFNRDQKUFHQ-OAHLLOKOSA-N 409.533 3.182 0 40 HGAB CC(C)[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)Nc1nccs1 3437257 NYDAYOPYLKQAOK-LBPRGKRZSA-N 407.439 3.104 0 40 HGAB CNC(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)cc1 3610059 WQMLDOYIYBSXCW-UHFFFAOYSA-N 423.494 3.124 0 40 HGAB Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2sccc2C(N)=O)cc1 4148319 UUKIWAPVLRRXEU-UHFFFAOYSA-N 415.496 3.209 0 40 HGAB COCCCn1c(SCC(=O)N2CCCCC2)nc2sc3c(c2c1=O)CCC3 4169099 LOSPQKGSPKFMLL-UHFFFAOYSA-N 421.588 3.088 0 40 HGAB CCOC(=O)c1c(NC(=O)[C@@H](C)Sc2nncn2C)sc2c1CCCCC2 4263105 SAPBOBBGGNWDMB-LLVKDONJSA-N 408.549 3.442 0 40 HGAB COCCN(C(=O)c1csnn1)[C@H](C(=O)NC1CCCCC1)c1sccc1C 4374627 ZFVPWKVBSDMENT-INIZCTEOSA-N 422.576 3.187 0 40 HGAB O=C(NCc1ccc(Cl)cc1)c1ccc2c(=O)n(-c3ccccc3)c(=O)[nH]c2c1 4792899 GCBHWXCNEBWYJO-UHFFFAOYSA-N 405.841 3.262 0 40 HGAB COC(=O)c1ccc(C)c(NC(=O)[C@@H](C)N(c2ccc(C)c(C)c2)S(C)(=O)=O)c1 4816393 ARJACTBILIIQNF-MRXNPFEDSA-N 418.515 3.192 0 40 HGAB O=C(CCN1C(=O)S/C(=C/c2ccccc2)C1=O)Nc1ccc(O)c(C(=O)O)c1 5347316 QHMCLPNHDMELKT-MHWRWJLKSA-N 412.423 3.156 0 40 HGAB CCC(C)(C)C1CCC(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CC1 6545044 YYQSZVHOCXHECH-UHFFFAOYSA-N 422.591 3.432 0 40 HGAB CCOC(=O)c1c(NC(=O)N2CCN(C(=O)OCC)CC2)sc2c1CCCC2 6669378 ZXCYROOCENWUOK-UHFFFAOYSA-N 409.508 3.110 0 40 HGAB O=C(COc1ccccc1F)Nc1sc2c(c1C(=O)N1CCOCC1)CCCC2 7214327 ABABFVVRJHYXIL-UHFFFAOYSA-N 418.490 3.256 0 40 HGAB C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)Oc3ccc(Cl)cc3)c2)C[C@H](C)O1 7656743 QGNDAAGCLIFLFU-KBPBESRZSA-N 409.891 3.357 0 40 HGAB Cc1cccc(N(CCCC(=O)NCCSc2ccccc2)S(C)(=O)=O)c1 8041498 PVSUUBFUJFLQNN-UHFFFAOYSA-N 406.573 3.450 0 40 HGAB CCCNC(=O)CSc1nnc(SCC(=O)N2CCCC[C@@H]2CC)s1 8130095 DUQUQTODCKDZFT-LBPRGKRZSA-N 402.611 3.040 0 40 HGAB COc1ccc([C@@H](CNC(=O)c2ccc(N3CCCC3=O)cc2)N2CCCC2)cc1 8193163 WMCRFTYKQKPIRV-JOCHJYFZSA-N 407.514 3.389 0 40 HGAB Cc1cc(NC(=O)COC(=O)c2ccc(Br)o2)n(-c2ccccc2)n1 8327245 WWJUBFWHMKJYGJ-UHFFFAOYSA-N 404.220 3.332 0 40 HGAB CC(=O)c1cccc(NCC(=O)NCC(=O)Nc2ccc(Br)cc2C)c1 8747363 RYGLEEJWFVIFOK-UHFFFAOYSA-N 418.291 3.127 0 40 HGAB CCOC(=O)c1c(NC(=O)CSc2nnc(C)n2CC)sc2c1CCCC2 9029792 LMGNXBRZGOSGDV-UHFFFAOYSA-N 408.549 3.454 0 40 HGAB COc1ccc(OC)c(NC(=O)[C@@H]2C[C@H](C(C)C)N[C@]23C(=O)Nc2ccc(C)cc23)c1 9042713 GDXJQZFJTRLPIA-PDOGEWKWSA-N 423.513 3.432 0 40 HGAB O=C(CNC(=O)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1)Nc1ccc(F)c(F)c1 9056553 VOFMIMCEGJNQLJ-OAHLLOKOSA-N 423.419 3.226 0 40 HGAB Cn1c(=O)n(C)c2cc(NC(=O)C3CCN(Cc4cccc(Cl)c4)CC3)ccc21 9063353 LTNCIOUSYIHFKE-UHFFFAOYSA-N 412.921 3.381 0 40 HGAB COc1ccc(C(=O)NCc2ccccc2Cl)cc1S(=O)(=O)N1CCCCC1 9063745 LGYACGLUABQLFO-UHFFFAOYSA-N 422.934 3.453 0 40 HGAB Cc1ccccc1-n1c(SCc2ccc3c(c2)OCO3)nnc1N1CCOCC1 9114575 IPBYRHKJGHRUER-UHFFFAOYSA-N 410.499 3.433 0 40 HGAB CC(=O)Nc1ccc(NC(=O)CSc2nnc(NC(=O)NC(C)(C)C)s2)cc1 9744005 HVLWREILRLJCJZ-UHFFFAOYSA-N 422.536 3.147 0 40 HGAB Cc1ccc(NC(=O)[C@@H](C)N(C)CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)c(C)c1 11073778 KMKJIHREKGDYNE-ZWKOTPCHSA-N 422.529 3.326 0 40 HGAB COCCn1c(SCC(=O)NC(=O)N[C@H]2CCCC[C@@H]2C)nc2ccccc21 11490236 RJHWQEDSPAPGJH-GJZGRUSLSA-N 404.536 3.179 0 40 HGAB C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1nc2cc3c(cc2s1)OCCO3 11751771 JWVHXDKFJDXUAC-SNVBAGLBSA-N 417.874 3.478 0 40 HGAB O=C(NCCN1CCN(c2ccc(Cl)cc2)CC1)c1ccc(Br)o1 11900309 MSANRMCXHQTEJQ-UHFFFAOYSA-N 412.715 3.248 0 40 HGAB CC(C)Nc1ncc(-c2ccccn2)c(C2CCN(C(=O)c3cnccn3)CC2)n1 12088821 BYOFGUAXMFWELA-UHFFFAOYSA-N 403.490 3.169 0 40 HGAB COc1ccccc1C1(NC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)CCCC1 12155235 QSLXFXJIPLJSOQ-QRFRQXIXSA-N 417.575 3.307 0 40 HGAB COc1ccccc1O[C@H](C)C(=O)N1CCC[C@H](c2noc(-c3cnc(C)cn3)n2)C1 12187767 SXRMGWZLWUDXNL-CVEARBPZSA-N 423.473 3.017 0 40 HGAB Cc1cc(-c2snnc2[C@@H]2CCCN(C(=O)c3cnn4c(C)cc(C)nc34)C2)on1 12251906 UMHSXHBZGNYOQO-CQSZACIVSA-N 423.502 3.181 0 40 HGAB COc1ccc(S(=O)(=O)N(C)Cc2ccccc2N2CCCC2)cc1NC(C)=O 12528375 YNRZZWTYTTUOAI-UHFFFAOYSA-N 417.531 3.075 0 40 HGAB O=C(Nc1cccc(F)c1)N1Cc2nc[nH]c2C[C@H]1c1nc(-c2ccncc2)no1 12530139 ISZCHMZTTIANFF-KRWDZBQOSA-N 405.393 3.325 0 40 HGAB biogenic,in-vitro C[C@H](NC(=O)c1ccco1)C(=O)N[C@@H](Cc1nc2ccccc2n1C)c1ccccc1 12601280 IWPIGCASDDLTCB-LPHOPBHVSA-N 416.481 3.385 0 40 HGAB CCOc1ccc(NC(=O)c2ccccc2NC(=O)CN2C[C@H](C)O[C@H](C)C2)cc1 12620795 BGFIEPYUIXSPNN-CALCHBBNSA-N 411.502 3.385 0 40 HGAB COc1ccc(-c2csc(NC(=O)Cn3ncc4ccccc4c3=O)n2)c(OC)c1 12853942 MRUTVRWFHSEGDK-UHFFFAOYSA-N 422.466 3.176 0 40 HGAB CN(Cc1cnn(-c2ccccc2)c1)S(=O)(=O)c1ccc(Br)cc1 12928398 BHBDBSPXZUEQLY-UHFFFAOYSA-N 406.305 3.456 0 40 HGAB O=C(Cc1csc(-c2ccccc2Cl)n1)NN1C(=O)NC2(CCCCC2)C1=O 12974982 VEQRIXDBVJTDRJ-UHFFFAOYSA-N 418.906 3.292 0 40 HGAB Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)Nc3c(C)nn(C)c3C)CC2)c(C)c1 13004932 DZCQFGSNJLCQMM-UHFFFAOYSA-N 418.563 3.002 0 40 HGAB CCOc1ccc(CNC(=O)[C@@H](C)N2c3cccc4cccc(c34)S2(=O)=O)cc1 13672627 XBQWHYPBIAKMOR-OAHLLOKOSA-N 410.495 3.452 0 40 HGAB COc1ccccc1/C=[N+]1\NC(=O)[C@@H](NC(=O)c2ccccc2)[C@H]1c1ccc(C)cc1 13941607 JFHMWVJWVCOBJN-HFXBMHRVSA-O 414.485 3.020 0 40 HGAB CC(=O)c1ccccc1NC(=O)[C@@H](C)OC(=O)[C@]12CCC(=O)N1c1ccccc1S2 14197900 OFTNUTKKTCYZHW-JLCFBVMHSA-N 424.478 3.388 0 40 HGAB Cc1cc(C)cc(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@@]4(C(=O)Nc5ccc(C)cc54)[C@@H]3C2=O)c1 15954592 QPVPQRVSCZMANI-UGCAPWQASA-N 415.493 3.043 0 40 HGAB biogenic Cc1noc2nc(C3CCN(C(=O)C[C@H](C)n4cncn4)CC3)cc(C(F)(F)F)c12 19564629 VKNRJNUQKYWLFD-NSHDSACASA-N 422.411 3.499 0 40 HGAB CNC(=O)[C@]1(Cc2ccccc2-c2ccccc2)CCCN(C(=O)c2cc[nH]n2)C1 19591171 UHEIQJUEKJZHEI-DEOSSOPVSA-N 402.498 3.288 0 40 HGAB CNc1cc(C2CCN(C(=O)COc3ccccc3)CC2)nc(-c2ccncc2)n1 19592288 QHRMUJWWIDVUCE-UHFFFAOYSA-N 403.486 3.365 0 40 HGAB COc1ccc(-c2csc(N3CCN(S(=O)(=O)c4cccs4)CC3)n2)cc1 19625053 WZBADDIBNLPJKN-UHFFFAOYSA-N 421.569 3.391 0 40 HGAB CN(C)c1ncc(-c2cccc(Cl)c2)c([C@@H]2CCCN(C(=O)Cn3cccn3)C2)n1 19694245 HJRYYQIZNPECCA-QGZVFWFLSA-N 424.936 3.466 0 40 HGAB COCCN1CCCC[C@@H](C2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)C1=O 19744980 TZUUNVNJCBVXDF-NRFANRHFSA-N 411.546 3.224 0 40 HGAB Cc1cnc2c(C(=O)N3CCC(CC(=O)N[C@@H](C)c4ccccc4)CC3)cnn2c1 19748557 GHYRIOZWEJQRLJ-KRWDZBQOSA-N 405.502 3.157 0 40 HGAB Cc1nc(C2CCN(Cc3cccc(Cl)c3)CC2)ncc1C(=O)N1CCOCC1 19766537 DCYVYLXTGZSZGV-UHFFFAOYSA-N 414.937 3.290 0 40 HGAB C[C@@H]1CCCN(C(=O)C2CCN(S(=O)(=O)Cc3c(F)cccc3Cl)CC2)C1 20037942 KZPFCWPFKREWPP-CQSZACIVSA-N 416.946 3.279 0 40 HGAB COc1ccc(CCCNC(=O)CN(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1 22336884 SGMRKHXFVGQJRC-UHFFFAOYSA-N 424.950 3.172 0 40 HGAB O=C1Nc2ccccc2S[C@@H]1CC(=O)N1CCN(C/C=C/c2ccccc2)CC1 23731569 FGHMINOEUFQKOK-VHTFYLNKSA-N 407.539 3.347 0 40 HGAB Cc1ccc(S(=O)(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2C)s1 24070309 FYNRNTGLAVTMDS-UHFFFAOYSA-N 414.574 3.340 0 40 HGAB CCc1c(C(=O)N2CCC[C@@H](c3nnc4ccccn34)C2)cnn1-c1ccccc1 24457676 BFHUFPLZUQGAGX-QGZVFWFLSA-N 400.486 3.497 0 40 HGAB O=C(Cn1c(-c2ccccc2Cl)nc2ccccc21)NCCNC(=O)c1ccco1 31050925 GAESDDOXCMUOQI-UHFFFAOYSA-N 422.872 3.496 0 40 HGAB O=C(NCCc1ccc(Cl)cc1)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 31675790 LXZIGGSKUISTHH-UHFFFAOYSA-N 420.962 3.241 0 40 HGAB COc1ccc(-c2noc(CCCC(=O)Nc3cccc(C(=O)O)c3)n2)cc1OC 33000113 PIOUAZVRHRCJAQ-UHFFFAOYSA-N 411.414 3.413 0 40 HGAB O=C(CN1CCC(C(=O)c2ccc(Cl)cc2)CC1)NCc1ccc2c(c1)OCO2 35313932 AIWJXTWKQQINIV-UHFFFAOYSA-N 414.889 3.280 0 40 HGAB O=C(NCCSc1ccccc1)c1cc(S(=O)(=O)Nc2ccccc2F)c[nH]1 40115454 YYTYLKYTHSMWCS-UHFFFAOYSA-N 419.503 3.477 0 40 HGAB COc1ccc(OC)c2c1CN(C(=O)Nc1ccc3c(c1)OC(F)(F)O3)C[C@@H]2O 43851126 MDFBVDGXDQSWDH-LBPRGKRZSA-N 408.357 3.106 0 40 HGAB CCOC(=O)CCCCCCNC(=O)N[C@@H](c1cccc(F)c1)c1nccn1C 45264225 XRHBNICSMKTFKF-IBGZPJMESA-N 404.486 3.461 0 40 HGAB O=C(NC1CCN(C(=O)[C@@H]2CCCN(Cc3ccccc3)C2)CC1)c1ccc(F)cc1 48312554 JDOKJBNDOMVHDV-OAQYLSRUSA-N 423.532 3.459 0 40 HGAB CSc1ncc(C(=O)NCCCCN2C[C@H](C)O[C@H](C)C2)n1-c1ccccc1 48355736 LJYDFLFZUYACKS-CALCHBBNSA-N 402.564 3.213 0 40 HGAB CCCCN(C)S(=O)(=O)c1ccc(NCC(=O)N2CCc3ccccc3C2)cc1 55102007 VIYZIHQBUBMXEZ-UHFFFAOYSA-N 415.559 3.104 0 40 HGAB Cc1ccc(S(=O)(=O)Nc2cc(-c3n[nH]c(=O)[nH]3)cc(C(F)(F)F)c2)cc1C 58300359 GMZXQYUROTYAQV-UHFFFAOYSA-N 412.393 3.201 0 40 HGAB O=C(CCCN1C(=O)NC2(CCCC2)C1=O)OCc1csc(Br)c1 58654545 WRJVBCZLPTUGQN-UHFFFAOYSA-N 415.309 3.199 0 40 HGAB CN(Cc1ccccc1)c1nc2ncn(CC(=O)Nc3ccccc3)c(=O)c2s1 67225744 SKLAUTRDXCZCJV-UHFFFAOYSA-N 405.483 3.128 0 40 HGAB Cc1nc(-c2cccc(Cl)c2)n(CC(=O)Nc2ccc(F)cc2)c(=O)c1CCO 67301588 OHVBXPUEJYJYCV-UHFFFAOYSA-N 415.852 3.185 0 40 HGAB Cc1ccc(CNC(=O)c2ccc(Oc3nccnc3N3CCOCC3)cc2)cc1 67334564 DSRQFZQLVAGAQW-UHFFFAOYSA-N 404.470 3.344 0 40 HGAB CCn1c(C)nc2cc(NS(=O)(=O)c3ccc4c(c3)[C@@H](NC(C)=O)CC4)ccc21 72345816 UDGMVPMEGFGSSJ-IBGZPJMESA-N 412.515 3.289 0 40 HGAB O=C(CN1CCOCC1)N1CCC[C@H](c2cccc(Cc3ccc(Cl)cc3)n2)C1 72349721 RXNOQKBTILIDSE-IBGZPJMESA-N 413.949 3.364 0 40 HGAB Cn1cnc(S(=O)(=O)N2CCC[C@H](c3cccc(-c4ccccc4F)n3)C2)c1 72350312 GQNALGYNIXPLBB-HNNXBMFYSA-N 400.479 3.190 0 40 HGAB O=S(=O)(CCc1ccccc1)N1CCC[C@@H]1c1cncc(Nc2ccccn2)n1 72376460 KPSHVZKKTHQYDY-LJQANCHMSA-N 409.515 3.325 0 40 HGAB CC[C@@H](C)N(CC(=O)OC(C)(C)C)C(=O)CS[C@H](C)C(=O)Nc1cc(C)on1 84721874 JYLMQDJAUBQLBB-TZMCWYRMSA-N 413.540 3.012 0 40 HGAB COCc1ccc(C(=O)N2CC[C@@H](N(C(=O)c3ccc(COC)cc3)C3CC3)C2)cc1 89420324 SLNPESNZYCNROB-HSZRJFAPSA-N 422.525 3.499 0 40 HGAB COc1cccc(-c2nnc(SCCc3nnc(N)s3)n2Cc2ccco2)c1 89471397 NPOJUKIPIOLLOS-UHFFFAOYSA-N 414.516 3.364 0 40 HGAB Cc1ccc2nc([C@@H]3CCCN(C(=O)c4ccc(=O)n(-c5ccccc5)n4)C3)[nH]c2c1 89657590 AGJOWTAMZZFNBE-QGZVFWFLSA-N 413.481 3.437 0 40 HGAB C[C@H](Oc1cccc(F)c1)C(=O)NCCc1ccc(OCCN2CCCC2)cc1 95460108 ZUWHBNVNZOKTMX-SFHVURJKSA-N 400.494 3.427 0 40 HGAB Cc1ccc(C(=O)N2CCC3(CC2)C[C@@H](CC(=O)NCCN(C)C)c2ccccc23)o1 96052902 XAZDCJSDSZCGMP-LJQANCHMSA-N 423.557 3.317 0 40 HGAB COC(=O)c1nc(NC(=O)CCc2nc(-c3ccncc3)no2)sc1C(C)C 96116890 KSUHVHLQTRITRF-UHFFFAOYSA-N 401.448 3.069 0 40 HGAB O=C(Nc1ccccc1)c1ncn2c1CN(CC1CC1)S(=O)(=O)c1ccccc1-2 96266195 KPZFJYOXNDNOMW-UHFFFAOYSA-N 408.483 3.039 0 40 HGAB C[C@H](C(=O)N1CCc2ccccc21)N1CCN(CCOc2ccc(Cl)cc2)CC1 96833078 OCCLHIUWMNENCP-GOSISDBHSA-N 413.949 3.314 0 40 HGAB O=Cc1ccc(OC(=O)c2ccc(N3C(=O)[C@H]4[C@@H]5C=C[C@@H]([C@H]6C[C@H]56)[C@H]4C3=O)cc2)cc1 102139453 VFBIPGBKNXVZSJ-BGJURXJTSA-N 413.429 3.276 0 40 HGAB COC(=O)c1ccc(F)c(S(=O)(=O)Nc2ccc(Br)cc2F)c1 145545153 CKIJSIQORKEBIG-UHFFFAOYSA-N 406.204 3.315 0 40 HGAB COc1ccc(NC(=O)c2ccc(N3C(=O)[C@H]4[C@H]5CC[C@@H](C5)[C@H]4C3=O)cc2)c(OC)c1 165718283 DDAKUGPIUGYHBH-LATRNWQMSA-N 420.465 3.492 0 40 HGAB CN(CC(=O)NCCCc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1 219694894 HNCOKRZGQWLVRB-UHFFFAOYSA-N 415.342 3.363 0 40 HGAB CCn1c(=O)oc2cc(S(=O)(=O)Nc3ccc(NC(C)=O)cc3)c(Cl)cc21 223365542 RYWKIQBSWRWNPP-UHFFFAOYSA-N 409.851 3.027 0 40 HGAB C[C@@H](C(=O)Nc1ccc(N2CCCC2)cc1)N(c1ccccc1F)S(C)(=O)=O 224930007 FAYARRBJOFQFCS-HNNXBMFYSA-N 405.495 3.219 0 40 HGAB Cc1nc(-n2cccc2)sc1C(=O)NCc1nnc2ccc(-c3cccs3)nn12 225763150 FXBUWEAQQWSSBE-UHFFFAOYSA-N 421.511 3.338 0 40 HGAB CN(c1cccc(NC(=S)NCCOc2ccccc2Cl)c1)S(C)(=O)=O 225780085 SRGOHPMUTCHVCM-UHFFFAOYSA-N 413.952 3.101 0 40 HGAB CCS(=O)(=O)Nc1ccc(C(=O)N2CCc3cc(Br)ccc32)cc1 225963687 DNJPVAFUWWLOME-UHFFFAOYSA-N 409.305 3.414 0 40 HGAB O=C(c1cccc(-n2cccn2)c1)N1CC[C@H](Oc2ncccc2Br)C1 238839671 HOHVNIOQFWNFFM-INIZCTEOSA-N 413.275 3.323 0 40 HGAB O=C(N1CCOC[C@@H](Cc2ccc3nccn3n2)C1)C1(c2cccc(F)c2)CCCC1 257212174 CCFVBAAMENNEOQ-SFHVURJKSA-N 422.504 3.398 0 40 HGAB Cc1ccccc1Cc1cccc([C@@H]2CN(CC(=O)Nc3cnn(C)c3C)CCO2)n1 257219132 DFSPCHOHHZKEIQ-QHCPKHFHSA-N 419.529 3.035 0 40 HGAB CNC(=O)c1sc2nc([C@@]3(C)CCCN(C(=O)c4ccccc4)C3)ccc2c1N 257294021 QSCNPNODXIUXAR-QFIPXVFZSA-N 408.527 3.432 0 40 HGAB Cn1ccc(C(=O)N2[C@H](c3cccc(C(F)(F)F)c3)C[C@H]3NC(=O)CCCC[C@@H]32)n1 257339788 ZDEBXSUEJPZANT-SQNIBIBYSA-N 420.435 3.454 0 40 HGAB COc1ccc2cc(C(=O)N3CCC(S(=O)(=O)Cc4ccccc4)CC3)[nH]c2c1 390829674 FVYNUKROAPANRV-UHFFFAOYSA-N 412.511 3.396 0 40 HGAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cccc(C(C)=O)c2)cc1Cl 408596261 RWKRKHYADLGSOQ-LBPRGKRZSA-N 424.906 3.247 0 40 HGAB COc1c(F)c(F)c(C(=O)NC(=S)Nc2ccccc2C(=O)O)c(F)c1F 408627620 MQANIVZKJYQLHH-UHFFFAOYSA-N 402.325 3.077 0 40 HGAB Cc1ccc(C)c(NC(=O)CSc2nnc(CNC(=O)Cc3ccccc3)n2C)c1 409153632 DPJVDQJJMMDYOH-UHFFFAOYSA-N 423.542 3.022 0 40 HGAB COc1cc2c(cc1OC)[C@H](NC(=O)[C@H](C(C)C)N1Cc3ccccc3C1=O)CC2 583652585 ZQQDRAMTPANWDV-KNQAVFIVSA-N 408.498 3.488 0 40 HGAB O=S(=O)(NCC1(c2cccc(C(F)(F)F)c2)CCOCC1)c1cncc(F)c1 588905668 YFXXSCLIPLRJCG-UHFFFAOYSA-N 418.412 3.266 0 40 HGAB C[C@@H](NC(=O)Cc1ccc(-n2cnnc2)cc1)c1nc(-c2ccc(Cl)cc2)no1 1134107581 SIRPAOQIGXOTFM-CYBMUJFWSA-N 408.849 3.391 0 40 HGAB O=C(c1nccs1)N1CCCCCc2cc(Cl)ccc2OC[C@@H](O)[C@@H](O)CC1 1615160574 JIVBRVLEQNOZKC-DLBZAZTESA-N 424.950 3.156 0 40 HGAB COC(=O)Nc1ccc(OC(=O)CCC(=O)Oc2ccc(NC(=O)OC)cc2)cc1 2061000968 NTLUGSYYFFLNTA-UHFFFAOYSA-N 416.386 3.334 0 40 HGAB Cc1cc(Cl)ccc1NC(=O)[C@@H]1C(=O)C(=O)N(c2ccc(Cl)cc2C)C1=O 1617450 NQWIKQZZYNDYME-HNNXBMFYSA-N 405.237 3.307 0 40 HGAB O=S(=O)(c1ccccc1)N1CCN(S(=O)(=O)c2ccccc2)c2ccccc21 1696108 GWRPVMKQEIVDKV-UHFFFAOYSA-N 414.508 3.091 0 40 HGAB in-vitro Cn1c(SCC(=O)NCCc2ccccc2)nc2sc3c(c2c1=O)CCCC3 2233862 DZKOBSBBGURKEF-UHFFFAOYSA-N 413.568 3.325 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCN(c3nc4ccccc4nc3Cl)CC2)cc1 2388140 JYQBOZBTEBXTEP-UHFFFAOYSA-N 402.907 3.103 0 40 HGAB C[C@@H](OC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)C(=O)Nc1ccccc1 3373055 QGTPZLPYTIWFNM-CQSZACIVSA-N 418.405 3.260 0 40 HGAB COc1cc(NC(=O)COC(=O)C(O)(c2ccccc2)c2ccccc2)cc(OC)c1 3426158 WQPNAAPILDEXOP-UHFFFAOYSA-N 421.449 3.122 0 40 HGAB C[C@H](NC(=O)CSc1nnc(-c2ccc(OC(F)F)cc2)n1N)c1ccccc1 3442919 KTPBKJATGGMRDS-LBPRGKRZSA-N 419.457 3.230 0 40 HGAB CCOc1ccccc1[C@H]1CC(c2ccc(NS(C)(=O)=O)cc2)=NN1C(C)=O 4036253 UAVGJKOKNFCDEE-LJQANCHMSA-N 401.488 3.154 0 40 HGAB COc1ccc(NC(=S)N(CCCO)Cc2cc3cc(C)ccc3[nH]c2=O)cc1 4126976 GHLGKWYYYLOTDO-UHFFFAOYSA-N 411.527 3.427 0 40 HGAB COc1ccc(OC)c(NC(=O)C2=C(C)Nc3ncnn3[C@@H]2c2ccccc2OC)c1 4384719 HDBYDLUEBOAVOF-HXUWFJFHSA-N 421.457 3.232 0 40 HGAB Cc1cc(C)cc(NC(=O)Cn2cnc3c(cnn3-c3ccc(C)cc3C)c2=O)c1 4479260 BSBTWFVHOZDXEJ-UHFFFAOYSA-N 401.470 3.455 0 40 HGAB Cc1noc(C)c1S(=O)(=O)N1CCC[C@H]1C(=O)Nc1cccc(C(F)(F)F)c1 4785190 OMDGJEVUFHADDB-AWEZNQCLSA-N 417.409 3.102 0 40 HGAB CC(C)COC(=O)N1CCC[C@H]1C(=O)OCC(=O)c1ccc(Br)cc1 6159655 XDTVFOFKFPIQBI-HNNXBMFYSA-N 412.280 3.432 0 40 HGAB COC(=O)c1ccc(CN2C(=O)S/C(=C/c3ccc(OC)c(OC)c3)C2=O)o1 6170686 QYJRXAWDGGWBKL-CXUHLZMHSA-N 403.412 3.320 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCN3C(=O)c4ccccc4[C@@]32c2ccccc2)cc1 6668412 QGPJKPIVYJEECX-QHCPKHFHSA-N 404.491 3.356 0 40 HGAB COc1ccc(NC(=O)c2ccc(NC(=O)c3ccc(-n4cnnn4)cc3)cc2)cc1 6787226 XZONXCCSALRBNX-UHFFFAOYSA-N 414.425 3.176 0 40 HGAB O=C(CN1C(=O)C(c2ccccc2)=NC12CCCCC2)Nc1ccc2c(c1)OCCO2 6808758 MXKRXBIWDJFHCH-UHFFFAOYSA-N 419.481 3.388 0 40 HGAB O=C1N[C@@]2(CCc3ccccc3C2)C(=O)N1Cc1nnc(-c2ccc(Cl)cc2)o1 6840085 ZCZMVUMBXNGIEX-OAQYLSRUSA-N 408.845 3.370 0 40 HGAB COc1cccc(OC)c1C(=O)Nc1ccc(-n2c(C)nc3ncccc3c2=O)cc1 7508673 UPTMVVVQHJGNFI-UHFFFAOYSA-N 416.437 3.359 0 40 HGAB O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)Cc2ccc3c(c2)CCC3)CC1 8325609 SARKKFGDISTKRO-UHFFFAOYSA-N 406.482 3.324 0 40 HGAB CCC[C@@H](C)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1 8345784 KWTCHICBROPOJB-QGZVFWFLSA-N 423.579 3.073 0 40 HGAB C[C@H](OC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)C(=O)NC1CCCC1 9182631 XCBDORNRGXEFIU-HOCLYGCPSA-N 406.910 3.183 0 40 HGAB COc1cccc(CNC(=O)CSc2nccn(-c3ccc(C)c(F)c3)c2=O)c1 9761458 YCVHKPXAYMDVEB-UHFFFAOYSA-N 413.474 3.097 0 40 HGAB Cc1ccc(S(=O)(=O)NCCOc2ccc(-c3ccc(F)cc3)nn2)cc1C 9852847 ZMHCCLRELGYOKF-UHFFFAOYSA-N 401.463 3.257 0 40 HGAB COc1ccc(S(=O)(=O)CCCC(=O)Nc2nc3c(s2)C[C@H](C)CC3)cc1 10218660 IAFWORAZVXSCOI-CYBMUJFWSA-N 408.545 3.469 0 40 HGAB COc1ccc(-c2ccc(OCCNS(=O)(=O)c3ccccc3Cl)nn2)cc1 10324540 KJEYBSHYDHOHGG-UHFFFAOYSA-N 419.890 3.163 0 40 HGAB COCCCNC(=O)c1ccccc1NC(=O)COc1ccc(Br)cc1 10472558 OPCQIDBQKQGABN-UHFFFAOYSA-N 421.291 3.233 0 40 HGAB CCOC(=O)c1c(NC(=O)CSc2nc3ccccc3o2)sc(C(N)=O)c1C 10963308 QPJLGEQKPVCQCC-UHFFFAOYSA-N 419.484 3.204 0 40 HGAB Cc1cc(C)cc(OCC(=O)NCc2ccc(-c3nn4c(C)nnc4s3)cc2)c1 12854439 RBYYFNDXVIHLMJ-UHFFFAOYSA-N 407.499 3.473 0 40 HGAB O=C(Nc1cccc(I)c1)[C@@H]1CCCN(C(=O)c2ccoc2)C1 12971759 VPUFGUVJMXQSPA-GFCCVEGCSA-N 424.238 3.375 0 40 HGAB Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)N3CCC[C@@H](C)C3)Oc3ccccc32)cc1 13648025 KBSYRVHXHXBSKP-DYESRHJHSA-N 414.527 3.210 0 40 HGAB CC[C@@H](C(=O)NCCSCc1ccco1)N(c1ccc(C)cc1)S(C)(=O)=O 13713481 FYFVLPMCEZGEDD-SFHVURJKSA-N 410.561 3.182 0 40 HGAB COc1ccc(OC)c2[nH]c(C(=O)NCC(=O)Nc3nc4ccccc4s3)cc12 13718788 MXDTZZUWZCQFCR-UHFFFAOYSA-N 410.455 3.163 0 40 HGAB CCc1[nH]c(C(=O)OCC(=O)c2cccc(Br)c2)c(C)c1C(=O)OC 14140897 YHJXLYPHPBIBAG-UHFFFAOYSA-N 408.248 3.474 0 40 HGAB O=C(NC12CC3CC(CC(C3)C1)C2)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 14189151 OSSHSYHEBBXTGT-FAKMSMKASA-N 408.589 3.234 0 40 HGAB CSc1ncccc1C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 15645045 CIGIVUAIFYUNPG-UHFFFAOYSA-N 411.936 3.494 0 40 HGAB COc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)c(OC)c1 15654664 UJVRSBJYRMYDDL-UHFFFAOYSA-N 418.515 3.439 0 40 HGAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)Cn2cnc3c(C)cccc3c2=O)c1 16260897 SDTJLDBHDGZFQR-IBGZPJMESA-N 407.470 3.086 0 40 HGAB O=C(O)c1cc(Br)ccc1NC(=S)NC(=O)C(Cl)(Cl)Cl 16384354 YLRBIHXHOWTINN-UHFFFAOYSA-N 420.499 3.331 0 40 HGAB CC(C)c1ccc(-c2nnc(NC(=O)CN3C(=O)NC4(CCCC4)C3=O)s2)cc1 16695120 JXGHAZCKBDHDTG-UHFFFAOYSA-N 413.503 3.132 0 40 HGAB C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1ncc(Cc3ccccc3)s1)C2=O 19496147 MEYZOKHMNMLDPA-QKKBWIMNSA-N 412.515 3.173 0 40 HGAB COc1ccc([C@@H](NC(=O)C[C@H]2C(=O)NCCN2C2CCCC2)c2ccccc2)cc1 19553321 JDQHNFAGRDFFBK-UPVQGACJSA-N 421.541 3.034 0 40 HGAB CN1CCC(c2nc(O)cc([C@H]3CCCN(C(=O)Cc4ccc(F)cc4)C3)n2)CC1 19588196 CMMSWGRFAWIFFU-SFHVURJKSA-N 412.509 3.079 0 40 HGAB COc1cccc(-c2cc(C(=O)Nc3ccc(N4CCCS4(=O)=O)cc3)on2)c1 19666759 IFMRMWYTVLCONL-UHFFFAOYSA-N 413.455 3.142 0 40 HGAB Cc1[nH]c2ccccc2c1C(=O)N1CCC[C@@H]1c1ccc(C(=O)N2CCOCC2)cn1 19708193 VMDXGAIOGHJDQZ-OAQYLSRUSA-N 418.497 3.321 0 40 HGAB COc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)N[C@@H]1CCCc2ccccc21 20015696 KLEJGOGQYGLQMV-QGZVFWFLSA-N 422.934 3.163 0 40 HGAB COc1ccccc1[C@H](C)NC(=O)CCc1ccc(S(=O)(=O)NCC(C)C)cc1 20023530 SJGLLRQLKWEVNC-KRWDZBQOSA-N 418.559 3.440 0 40 HGAB Cc1ccc(C)c([C@H](C)NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)N(C)C)c1 20244315 BXFLHOVNYNNDCQ-IBGZPJMESA-N 417.575 3.410 0 40 HGAB CNC(=O)c1cc2cc(N(C)S(=O)(=O)c3ccc(OC)c(C)c3)ccc2s1 20447939 DEAIKHIDGZCLOL-UHFFFAOYSA-N 404.513 3.403 0 40 HGAB CC(=O)NC(=S)Nc1ccc(N2CCN(Cc3ccccc3Cl)CC2)cc1 20969811 YFSIOSDXLSRXMG-UHFFFAOYSA-N 402.951 3.495 0 40 HGAB Cc1nc2sc([C@H](c3ccc(F)c(F)c3)N3CCC4(CC3)OCCO4)c(O)n2n1 22626598 FOKHNVQQOHCBJR-HNNXBMFYSA-N 422.457 3.011 0 40 HGAB O=C(C[C@@H]1CCCCN1S(=O)(=O)c1cccs1)NCc1c(F)cccc1F 22732424 VNYZANYJAATVPT-ZDUSSCGKSA-N 414.499 3.276 0 40 HGAB CCc1ccccc1NC(=O)CN1CCN(Cc2nnc(-c3ccc(F)cc3)o2)CC1 22913064 CEPXFQNPTLPXKW-UHFFFAOYSA-N 423.492 3.194 0 40 HGAB CCOc1ccc(CN2CCN(Cc3nc4cc(Cl)ccc4c(=O)[nH]3)CC2)cc1 22931897 AQJZRWTWAREBQG-UHFFFAOYSA-N 412.921 3.293 0 40 HGAB COc1ccc([C@H]2CCCN2C(=O)CN2C(=O)[C@H](C)Oc3ccccc32)c(OC)c1 23313251 PBOZBXLQSBPDON-MAUKXSAKSA-N 410.470 3.181 0 40 HGAB O=C(NCCN1CCOCC1)c1cn(Cc2ccccc2Cl)nc1-c1ccccc1 23882944 NOVUXPAUNARRIZ-UHFFFAOYSA-N 424.932 3.314 0 40 HGAB Cc1ccccc1[C@@H](OC[C@H](O)CN1C(=O)NC2(CCCC2)C1=O)c1ccccc1 24094629 RVBAJRSJRVRAJT-CTNGQTDRSA-N 408.498 3.327 0 40 HGAB COc1ccc([C@H]2CCCCCN2C(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)cc1 27161237 KLMFVPDRSZMRNA-HXUWFJFHSA-N 421.497 3.232 0 40 HGAB COC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccccc2C(=O)N2CCCCC2)c1 28237931 GRFNUPYTLLZRQV-UHFFFAOYSA-N 416.499 3.209 0 40 HGAB Cc1cc2oc(=O)cc(COC(=O)c3cccc(NS(C)(=O)=O)c3)c2cc1Cl 28939486 POLGJHYUHUDECF-UHFFFAOYSA-N 421.858 3.483 0 40 HGAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1 29600498 KBOPYXCRGNWROH-UHFFFAOYSA-N 424.766 3.344 0 40 HGAB COc1ccc(N2C(=O)CC[C@H](C(=O)N(C)C)[C@@H]2c2ccc(OC)c(OC)c2)cc1 30806149 YEVKAUSDXJIQRJ-AVRDEDQJSA-N 412.486 3.285 0 40 HGAB NC(=O)c1ccc(CN(C(=O)c2cccc(I)c2)C2CC2)cc1 31169861 RESVEZGPXOXIMY-UHFFFAOYSA-N 420.250 3.195 0 40 HGAB O=C(NCCCSc1ccccc1)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 31355360 ZTNAWXFKALYEKR-IBGZPJMESA-N 422.547 3.277 0 40 HGAB CC(=O)c1cccc(NC(=O)C[C@H](NC(N)=O)c2ccc(Br)cc2)c1 32796243 QDCQOLGSRKOJGW-INIZCTEOSA-N 404.264 3.390 0 40 HGAB COc1c(-c2c3c(nc4cc5c(cc24)OCO5)COC3=O)cc2c(c1OC)OCO2 35326596 GJTXYZXHNDNJAB-UHFFFAOYSA-N 409.350 3.047 0 40 HGAB CCc1nnc(NC(=O)[C@@H](CC)Sc2nnc(-c3ccncc3)n2CC)s1 35655240 HDAHNXXFIFWBLI-GFCCVEGCSA-N 403.537 3.283 0 40 HGAB CCC1(CC)NC(=O)N(CC(=O)NCc2ccc(Oc3cc(C)ccc3C)nc2)C1=O 36396863 HRLXBAFYCOIWSS-UHFFFAOYSA-N 424.501 3.218 0 40 HGAB O=C(COc1ccc(N2CCCC2=O)cc1)NC[C@@H](c1ccccc1)N1CCCC1 40012829 XXOKUQFLRVDKGJ-QFIPXVFZSA-N 407.514 3.146 0 40 HGAB COc1cc(CNC(=O)C[C@@H](NC(N)=O)c2cccc(C)c2)ccc1OC(F)F 40069380 RGTLOULQLDUTDR-OAHLLOKOSA-N 407.417 3.021 0 40 HGAB Cc1ccc2c(O)c(C(=O)NCc3ccc(C(=O)N4CCCCC4)cc3)cnc2n1 40122821 MYJDQAGWRGTAPC-UHFFFAOYSA-N 404.470 3.200 0 40 HGAB COc1ccc2c(C)c(CCC(=O)Nc3cccc(Cn4cncn4)c3)c(=O)oc2c1 40146953 MWAAQCPAJOSIJD-UHFFFAOYSA-N 418.453 3.321 0 40 HGAB Cc1ccc(Nc2nc3c(c(=O)[nH]2)[C@@H](C(=O)Nc2cccc(C)c2)CC(=O)N3)cc1 40400363 YWNUMAISZCVWII-INIZCTEOSA-N 403.442 3.195 0 40 HGAB COC(=O)c1sc(NC(=O)c2cc(-c3ccc(OC)c(OC)c3)on2)nc1C 46086670 QMDQUDDPHXYGTC-UHFFFAOYSA-N 403.416 3.163 0 40 HGAB CCCc1noc(CN2Cc3ccccc3C[C@H]2C(=O)NCCc2cccs2)n1 48289640 IQWBVBBEKIDMON-IBGZPJMESA-N 410.543 3.369 0 40 HGAB CC(C)c1cccc(NC(=O)Cn2nc3c(N4C[C@@H](C)C[C@@H](C)C4)nccn3c2=O)c1 49400160 BGNPGBUCDWRLSD-CALCHBBNSA-N 422.533 3.135 0 40 HGAB O=C(Cc1ccc(-n2cnnn2)cc1)NCc1nc(-c2ccc(Cl)cc2)cs1 53657316 VITCLSIVSTZNLR-UHFFFAOYSA-N 410.890 3.298 0 40 HGAB O=C(NCc1cccc(N2CCCCC2=O)c1)[C@@H]1CCCN1C(=O)C1CCCCC1 55669684 KWKLQVMNIROPIF-NRFANRHFSA-N 411.546 3.391 0 40 HGAB Cc1cc2nc(SCC(=O)Nc3ccc(Br)cc3C)n(C)c(=O)c2[nH]1 57521618 ZZKBSNJBBNFLNF-UHFFFAOYSA-N 421.320 3.372 0 40 HGAB O=C(O[C@H](C(=O)N1CCOCC1)c1ccccc1)c1ccc(OC(F)(F)F)cc1 58316042 XZRQQSVSBJLUGB-KRWDZBQOSA-N 409.360 3.342 0 40 HGAB Cc1cccc(CNC(=O)c2cn(-c3ccc(-c4nc(C5CC5)no4)cn3)cn2)c1 65251120 QDOGECXIKCCGRV-UHFFFAOYSA-N 400.442 3.433 0 40 HGAB COc1cc(C)c2[nH]c3c(c(=O)c2c1)CN(CC(=O)Nc1ccc(Cl)cc1)CC3 67349928 GBAWKMFQXVXSGB-UHFFFAOYSA-N 411.889 3.495 0 40 HGAB CCOC(=O)C[C@@H](Nc1ncnc2c1c(Br)nn2C)c1ccccc1 72313846 GMTLREREKINFGG-GFCCVEGCSA-N 404.268 3.232 0 40 HGAB COc1ccc(-c2cnc(N)nc2[C@H]2CCCN(CC(=O)Nc3nccs3)C2)cc1 72345969 RCCMHIMQVHMULS-HNNXBMFYSA-N 424.530 3.009 0 40 HGAB O=S(=O)(c1cn[nH]c1)N1CCC[C@H](c2cncc(-c3cccc(Cl)c3)n2)C1 72359863 NXLHXMHNZXFWLT-AWEZNQCLSA-N 403.895 3.088 0 40 HGAB Cc1ccc(-c2nc(C(=O)NC[C@@H](O)Cn3cnc4cc(C)c(C)cc43)cs2)o1 89656189 KLMSLZRBABMEFM-OAHLLOKOSA-N 410.499 3.469 0 40 HGAB Cc1ccc(NC(=O)NC(C)(C)C(C)(C)O)cc1NC(=O)NC(C)(C)C(C)(C)O 95462218 SYTOQOAWLHCEBZ-UHFFFAOYSA-N 408.543 3.337 0 40 HGAB COc1ccc2[nH]c(=O)c([C@@H]3SCC(O)=Nc4c3c(=O)[nH]n4C(C)C)cc2c1 95479557 IPGXZSYRNMHVSH-INIZCTEOSA-N 400.460 3.032 0 40 HGAB O=C(C[C@H]1CC2(CCN(C(=O)c3ccoc3)CC2)c2ccccc21)N1CCOCC1 96052826 SGNBUMKUZVFRND-IBGZPJMESA-N 408.498 3.190 0 40 HGAB O=S(=O)(c1ccc(-c2cccc(Cl)c2)cc1)N1CCC(N2CC[C@@H](O)C2)CC1 96099733 RXSUKFQLJKHRLA-HXUWFJFHSA-N 420.962 3.227 0 40 HGAB O=C(Cn1nc(-c2ccco2)n(C2CC2)c1=O)N1CCC(Cc2ccccc2)CC1 96119117 CKUYGSQKDNZFIZ-UHFFFAOYSA-N 406.486 3.121 0 40 HGAB CN(C)C(=O)n1c(C(=O)N2CC[C@H](N(C)C)C2)cc2c1c1ccccc1n2CC1CC1 96146527 JGLQEDCWUDSRAS-KRWDZBQOSA-N 421.545 3.312 0 40 HGAB O=C(O)c1ccc(S(=O)(=O)Nc2cccc3cccnc23)c(Br)c1 97150734 BCZQTLNGDZBGPU-UHFFFAOYSA-N 407.245 3.496 0 40 HGAB CCc1cc(=O)oc2c(C)c(O[C@@H](C)C(=O)NC[C@H]3CC[C@H](C(=O)O)CC3)ccc12 100765301 VRZNREAVGVERFB-YQQAZPJKSA-N 415.486 3.438 0 40 HGAB COc1ccc(-c2cc(C(F)(F)F)nc(S[C@H]3C[C@H](O)[C@H]4OC[C@H]3O4)n2)cc1 102999470 VTGVURHSGJTLAM-FQLMCAECSA-N 414.405 3.138 0 40 HGAB C[C@]12CC[C@@](O)(CN3CC3)C[C@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]2(O)CN1CC1 118916202 KDZDNXAVYMXPKT-QIILRDBWSA-N 402.623 3.123 0 40 HGAB Cc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)c2)cc1 135681759 GNPKPZQYRYJFFV-PMACEKPBSA-N 418.449 3.246 0 40 HGAB CS(=O)(=O)N(CCCC(=O)NCCCc1ccc(F)cc1)c1ccccc1F 222658365 KBMVOMMSQDTPNL-UHFFFAOYSA-N 410.486 3.260 0 40 HGAB CSc1ccc(S(=O)(=O)N[C@H](C)c2ccc3c(c2)OCCO3)cc1NC(C)=O 222742094 GPPMZUPBXRIQJD-GFCCVEGCSA-N 422.528 3.178 0 40 HGAB COc1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)c1 223279246 JDWPKDMXEUHNTN-FGZHOGPDSA-N 421.570 3.415 0 40 HGAB COC(=O)c1cccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCO)o2)c1 223601615 YTGDPDCRLVPKJO-PMACEKPBSA-N 423.494 3.093 0 40 HGAB C[C@H](C(=O)Nc1nnc(-c2ccccc2)s1)N(c1ccc(F)cc1)S(C)(=O)=O 224215777 SZOAOFLEGRFHDT-GFCCVEGCSA-N 420.491 3.137 0 40 HGAB Cc1ccccc1OCCNC(=O)CCCN(c1ccccc1Cl)S(C)(=O)=O 224668757 UZLMREXCQHXSMM-UHFFFAOYSA-N 424.950 3.390 0 40 HGAB CCn1nc(C)c(NC(=O)[C@H]2C[C@H]3CC[C@H]2C[C@]32NC(=O)c3ccccc3O2)c1C 249697484 UUURFQVKLVZAMA-MCLIINAXSA-N 408.502 3.413 0 40 HGAB Cc1ccc(NC(=O)C[C@@H]2C(=O)N[C@@H]3CCCC[C@H]3N2C(=O)C(C)C)cc1Cl 251141711 CYZOPOBSYHLUIY-KZNAEPCWSA-N 405.926 3.271 0 40 HGAB COc1cccc(Cc2cnc([C@@H]3CCCCN3C(=O)c3cc(C)nc(O)n3)o2)c1 257249250 JHMJEVFUEGECDR-IBGZPJMESA-N 408.458 3.445 0 40 HGAB O=C(COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)NC1CCCCC1 408532304 NWRVUFPPEKJZQL-UHFFFAOYSA-N 414.527 3.266 0 40 HGAB CCOc1ccccc1NC(=O)COC(=O)CCS(=O)(=O)c1ccc(C)c(C)c1 408647424 SREKPBXTQMGOCX-UHFFFAOYSA-N 419.499 3.048 0 40 HGAB O=S(=O)(Oc1c(Br)cc(Br)cc1CO)c1ccccc1 409117319 OGSWICQCDYVFNG-UHFFFAOYSA-N 422.094 3.472 0 40 HGAB CC(C)[C@@H](NC(=O)c1ccccc1)c1nnc(SCC(=O)Nc2ccccn2)n1C 409170657 WDMYCHXDTQWOGW-GOSISDBHSA-N 424.530 3.068 0 40 HGAB O=S(=O)(NCC1CCN(CC(F)(F)F)CC1)c1ccccc1OC(F)(F)F 444230304 ZJRSJILTWGAZRJ-UHFFFAOYSA-N 420.375 3.138 0 40 HGAB Cc1cc(C(=O)N2CC=C(c3c[nH]c4cc(F)ccc34)CC2)nc2nc(O)nc(O)c12 531289512 NPXCICGJBZUSEX-UHFFFAOYSA-N 419.416 3.294 0 40 HGAB COCc1cccc(-c2cnc3n2CCN(C(=O)COCc2ccccc2)CC3)c1 585111545 VFKRMVVUXSSUQN-UHFFFAOYSA-N 405.498 3.298 0 40 HGAB O=C(NCc1ccc(Cl)cc1)N1CC[C@@H](Oc2ncc(Br)cn2)C1 585147077 CRZLQOBTQMIYOJ-CQSZACIVSA-N 411.687 3.255 0 40 HGAB O=S(=O)(NC[C@H](O)c1ccc(-c2cccs2)s1)c1cccc2nsnc12 585147881 FMVHVNWDFNUJLD-NSHDSACASA-N 423.566 3.493 0 40 HGAB O[C@@H](COCc1ccccc1Cl)CN1CCC[C@@H](c2nnc3n2CCCCC3)C1 613409543 HSWVPORDMRZURA-IEBWSBKVSA-N 418.969 3.415 0 40 HGAB O=C(C[C@@H]1OC[C@H]2CN(Cc3cccc(F)c3F)CC[C@@H]12)NCCC1CCOCC1 1565552597 OJPSVUBXCILYTB-SBHAEUEKSA-N 422.516 3.125 0 40 HGAB CC(C)C(=O)Nc1nc(CC(=O)N2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)cs1 1638638135 YCVRTKMAPZFIEU-NVXWUHKLSA-N 407.923 3.268 0 40 HGAB Brc1ccc(N2C[C@@H]3CN(CCc4ccc5c(c4)CCO5)C[C@@H]3C2)nc1 2298217762 NVZRPRCBMDONIP-HDICACEKSA-N 414.347 3.390 0 40 HGAB O=C(CSc1nnc(CCc2ccccc2)n1-c1ccccc1)N1CCOCC1 687288 PHLJCJKUWFNZIH-UHFFFAOYSA-N 408.527 3.003 0 40 HGAB COc1cccc([C@@]2(C)NC(=O)N(Cc3nnc(-c4ccc(Cl)cc4)o3)C2=O)c1 3345136 PSGIZKIVTSWFQH-HXUWFJFHSA-N 412.833 3.366 0 40 HGAB C[C@@H](OC(=O)c1ccc(NC(N)=O)cc1)C(=O)Nc1nc(-c2ccccc2)cs1 3408514 PSBDLMHIYAUEBK-GFCCVEGCSA-N 410.455 3.485 0 40 HGAB O=C(COC(=O)c1cc(=O)[nH]c2ccccc12)Nc1ccccc1Br 3530263 KJVXKBJNRJYERN-UHFFFAOYSA-N 401.216 3.086 0 40 HGAB Cc1cccc(NC(=O)CN2C(=O)N[C@](C)(c3cccc(Br)c3)C2=O)c1 3593292 BJGXHIHFOAEDCX-LJQANCHMSA-N 416.275 3.163 0 40 HGAB CC(=O)c1sc(NC(=O)CS(=O)(=O)c2ccccc2)nc1-c1ccccc1 4496340 FPXNGGROWPGOPB-UHFFFAOYSA-N 400.481 3.425 0 40 HGAB CC(=O)[C@@H](NC(=O)CSc1nnc2c3ccccc3n(C)c2n1)c1ccccc1 4999567 VQMCPJFNUPHENP-GOSISDBHSA-N 405.483 3.055 0 40 HGAB CCc1ccc2c(COC(=O)[C@@H]3CC(=O)N(CCc4ccccc4)C3)cc(=O)oc2c1 6084920 BSBMBGRAAPBTIU-LJQANCHMSA-N 419.477 3.490 0 40 HGAB Cc1ccc(-n2nnnc2SCC(=O)Nc2ccccc2Br)cc1 6205513 PKEYDBORQKNIAW-UHFFFAOYSA-N 404.293 3.464 0 40 HGAB COc1ccc(C(=O)OCCCOC(=O)c2ccc(OC)cc2OC)c(OC)c1 6887325 FSFMZCHZPPRSOB-UHFFFAOYSA-N 404.415 3.125 0 40 HGAB Cc1ccc(NC(=O)c2cccc(OCc3c(C)noc3C)c2)cc1S(N)(=O)=O 8010136 OZZQJOAJXMUXCO-UHFFFAOYSA-N 415.471 3.079 0 40 HGAB Cc1c(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)c(=O)n(-c2ccccc2)n1C 8041439 RGNDWNYODVFVJO-UHFFFAOYSA-N 405.907 3.104 0 40 HGAB COc1ccc(N(CC(=O)Nc2cccc(Cl)c2Cl)S(C)(=O)=O)cc1 8117467 IJURQUAWVCVLDM-UHFFFAOYSA-N 403.287 3.407 0 40 HGAB Cc1ccc(C(=O)Cn2c(=O)n(S(=O)(=O)c3ccccc3)c3ccccc32)cc1 8295454 MTENRUDKFZIFCK-UHFFFAOYSA-N 406.463 3.231 0 40 HGAB Cc1cc(NC(=O)CSc2nnnn2-c2ccccc2C)n(-c2ccccc2)n1 8313699 QVRJRPSGXIYKCM-UHFFFAOYSA-N 405.487 3.196 0 40 HGAB CS(=O)(=O)N(CC(=O)N1CCCc2ccccc21)c1ccccc1Br 10449549 IQEKECPMJOALHL-UHFFFAOYSA-N 423.332 3.195 0 40 HGAB Cc1cc(C)cc(NC(=O)[C@H](OC(=O)[C@H]2CCCN(C(N)=O)C2)c2ccccc2)c1 12689159 KCPRUBHVVAWAKQ-AZUAARDMSA-N 409.486 3.317 0 40 HGAB Cc1noc(C)c1CCC(=O)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1 12804975 DETMRNFWSZZDMY-UHFFFAOYSA-N 405.520 3.427 0 40 HGAB Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)NCCN2CCOCC2)c1 12997006 SVALAKOYWMSGSJ-UHFFFAOYSA-N 408.477 3.049 0 40 HGAB O=C(NC1CC1)c1sccc1-n1c(=O)c2ccccc2n(Cc2ccccc2)c1=O 13719375 UCJHGEXZQZWKSI-UHFFFAOYSA-N 417.490 3.154 0 40 HGAB CC(=O)N1CCC(NC(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)CC1 14199818 STMTWNNFTXCGDX-UHFFFAOYSA-N 405.907 3.395 0 40 HGAB CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(C)(C)Oc1ccc(Cl)cc1 15717972 QPGRGJWIJVUGCY-UHFFFAOYSA-N 422.934 3.337 0 40 HGAB Cc1nc([C@@H]2CN(C(=O)Cc3ccc(F)cc3)C[C@H]2c2ccccc2F)cc(=O)[nH]1 19285520 DBUOPJJWTLPVIG-RBUKOAKNSA-N 409.436 3.309 0 40 HGAB COc1ccc(S(=O)(=O)N(C)Cc2nc(C)ncc2-c2onc(C)c2C)cc1F 19558627 PZQXITTVDPTEQE-UHFFFAOYSA-N 420.466 3.025 0 40 HGAB CCSc1nc2nc3c(cn2n1)C(=O)C[C@H](c1cc(OC)c(OC)c(OC)c1)C3 19816704 UEIIRHGDASHQSC-LLVKDONJSA-N 414.487 3.175 0 40 HGAB O=C(CCc1ccc(S(=O)(=O)NC2CC2)cc1)Nc1cccc(Br)c1 19930545 RTFDPNOIFOWYHS-UHFFFAOYSA-N 423.332 3.461 0 40 HGAB Cc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)cc1 20452271 RFMQTIBQTQHKNC-UHFFFAOYSA-N 410.499 3.466 0 40 HGAB COc1ccc(OC)c(S(=O)(=O)NCc2ccc(COCC(F)(F)F)cc2)c1 21871421 ZTASQSQJGNRBBW-UHFFFAOYSA-N 419.421 3.261 0 40 HGAB COc1ccc([C@H](C)NC(=O)[C@@H](C)N(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 22528417 RUJOFFJBHFYQEN-DLBZAZTESA-N 404.532 3.344 0 40 HGAB CCN(CC)[C@@H](CNC(=O)c1ccc2c(c1)CCN2C(C)=O)c1cccc(OC)c1 22700854 RSMZFTJNUHIIIV-QHCPKHFHSA-N 409.530 3.417 0 40 HGAB COc1ccccc1[C@H](C)NC(=O)CN1CCN(Cc2ccc(Cl)s2)CC1 22929466 UWBAXZJPOVISAS-HNNXBMFYSA-N 407.967 3.405 0 40 HGAB Cc1nc2sc([C@@H](c3ccc(C(C)C)cc3)N3CCC(C(N)=O)CC3)c(O)n2n1 23157172 UQLMHFLQPJFXEJ-QGZVFWFLSA-N 413.547 3.215 0 40 HGAB COC(=O)c1cn(CC(=O)NC[C@H](c2ccccc2)N2CCCC2)c2ccccc12 23739802 IAVGUXBJHQTTKX-JOCHJYFZSA-N 405.498 3.381 0 40 HGAB O=C(NCCc1ccc(C(F)(F)F)cc1)[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 24539969 DRIZUHWMCHHCEU-AWEZNQCLSA-N 420.387 3.146 0 40 HGAB CCOc1cc2c(cc1CNC(=O)CCn1c(=O)n(CC)c3ccccc31)O[C@H](C)C2 24701614 DLAIBCOQNOIDCG-MRXNPFEDSA-N 423.513 3.252 0 40 HGAB Cc1ccccc1C(=O)N1CCC(C(=O)NC[C@@H](C)N2CCc3ccccc3C2)CC1 25631781 NIZIJRSVMISBIE-HXUWFJFHSA-N 419.569 3.410 0 40 HGAB Cc1ccc(-n2cnnc2SCC(=O)N2CCN(C)C[C@H]2c2ccccc2)cc1C 26937175 UCAYJJWEKKJPTG-NRFANRHFSA-N 421.570 3.492 0 40 HGAB C[C@@H](Sc1nnc(-c2cccs2)n1C)C(=O)c1ccc(NS(C)(=O)=O)cc1 26981878 DJHCFYFFDZOOLJ-LLVKDONJSA-N 422.557 3.279 0 40 HGAB CCc1ccc2oc(C(=O)N[C@H]3CCCC[C@H]3N3C(=O)CSC3=O)cc(=O)c2c1 28284134 UNAFUCGLRVUYRN-LSDHHAIUSA-N 414.483 3.092 0 40 HGAB CNC(=O)c1cc(S(=O)(=O)N[C@@H](c2ccccc2)c2ccc(C)cc2)ccc1OC 30756499 FHJSWKZKNAEPJO-QFIPXVFZSA-N 424.522 3.431 0 40 HGAB O=C(COc1ccc(Cl)cc1)N1CCN(Cc2nc(-c3ccsc3)no2)CC1 32908590 JJRIKXHPHDIAFL-UHFFFAOYSA-N 418.906 3.175 0 40 HGAB O=C1C[C@@H](C(=O)N(C2CCCC2)[C@H](C(=O)NC2CCCC2)c2ccccn2)CS1 35314024 BUPRPMDQYJWFGE-QRWLVFNGSA-N 415.559 3.232 0 40 HGAB CN(C)S(=O)(=O)c1ccc(COc2ccc(C(=O)N3CCCCCC3)cc2)o1 36354076 WAAUWYRTEMHDKS-UHFFFAOYSA-N 406.504 3.125 0 40 HGAB CCOc1cc([C@@H]2C(C(=O)Nc3ccccc3OC)=C(C)Nc3ncnn32)ccc1O 39427831 CJRYMHUDJJJRAA-HXUWFJFHSA-N 421.457 3.319 0 40 HGAB COc1ccc(CCN2C[C@H](C(=O)N[C@H](c3ccccc3)C3CC3)CC2=O)cc1OC 40024452 UPDWNXMQMWDPAX-HYBUGGRVSA-N 422.525 3.362 0 40 HGAB CCN(Cc1ccc2c(c1)OCO2)C(=O)Nc1ccc(-c2nnnn2C2CC2)cc1 40104613 UQWPTPPHOCNTIS-UHFFFAOYSA-N 406.446 3.458 0 40 HGAB C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)Nc1cccc(OC(F)(F)F)c1 40104645 HFRKOVOMRBDKGP-NSHDSACASA-N 417.409 3.458 0 40 HGAB COc1cc(C(=O)Nc2c(C)cc3nc(NN)sc3c2C)cc(OC)c1OC 45889899 BBFTZHGYKBLPOU-UHFFFAOYSA-N 402.476 3.477 0 40 HGAB C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)NCc1nncn1-c1ccccc1 48116159 WJLFRFFXLAWKDK-GFCCVEGCSA-N 418.284 3.009 0 40 HGAB CCCCCNC(=O)C1CCN(Cn2c(=O)oc3cc(Br)ccc32)CC1 48289155 CNDOHFOHMCAVMW-UHFFFAOYSA-N 424.339 3.333 0 40 HGAB CCN(CC)c1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C[C@H]1CCCO1 58157592 VBFJICARVKGFJT-QGZVFWFLSA-N 423.579 3.215 0 40 HGAB COc1ccccc1CNC(=O)c1cnn2c(-c3ccc4c(c3)OCO4)ccnc12 65026735 OWWKKGCGXMABLP-UHFFFAOYSA-N 402.410 3.064 0 40 HGAB COc1cccc2cc(-c3nc(C4CCC(C(=O)O)CC4)n4ncnc(N)c34)[nH]c12 68203220 JROFGZPOBKIAEW-UHFFFAOYSA-N 406.446 3.222 0 40 HGAB investigational C[C@@]12CC[C@@H](C[C@@H]1C(=O)NCCN1CCCCCC1)[C@]1(C2)NC(=O)c2ccccc2N1 72326539 BILHXFKOOIUVMI-OCOKVPCDSA-N 424.589 3.357 0 40 HGAB CCc1nc(-c2cncnc2[C@@H]2CCCN(C(=O)CCc3ccc(OC)cc3)C2)no1 72356110 BIMWQSNLQHXXFF-QGZVFWFLSA-N 421.501 3.436 0 40 HGAB O=C1C[C@H]2CC[C@@H](CN1)N2C(=O)/C=C/c1cn(-c2ccccc2)nc1-c1ccccc1 79000736 HJNXDIIRLVGWIP-KBEBWBJJSA-N 412.493 3.432 0 40 HGAB CC(=O)N1CCCc2cc(S(=O)(=O)N3c4ccccc4N(C)CC[C@@H]3C)ccc21 79103881 IJEMYYPERSSONM-INIZCTEOSA-N 413.543 3.409 0 40 HGAB CC(C)[C@@H](C(=O)Nc1ccc(Oc2ccc(F)cc2)nc1)N1CCCS1(=O)=O 89791123 IDGUAUOGZNXVBS-SFHVURJKSA-N 407.467 3.012 0 40 HGAB CC1CCC2(CC1)NC(=O)N(CN1CCN(Cc3c(F)cccc3Cl)CC1)C2=O 96316693 QJJNUXZGAHRTPP-UHFFFAOYSA-N 422.932 3.055 0 40 HGAB COc1ccc(NC(=O)[C@@H]2Oc3cc(C)oc(=O)c3[C@@H]2c2ccc3c(c2)OCO3)cc1 96336033 IPWCWSMWHNEKSN-PZJWPPBQSA-N 421.405 3.217 0 40 HGAB CC1(C)C[C@@](C)(c2ccccc2)c2cccc3c2N1C(=O)/C3=C1\NC(=S)NC1=O 100123299 MHYPNAIPCVKVBJ-YNKYUBPOSA-N 403.507 3.237 0 40 HGAB CCCCOCCOCCO[C@H]1[C@@H]2[C@H]3C[C@@H]1C[C@@]23OCCOCCOCCCC 104205559 BEKMSUFDXFEFDV-ZQGJOIPISA-N 414.583 3.463 0 40 HGAB CS(=O)(=O)N(CC(=O)NCc1ccc(Cl)cc1)Cc1ccc(Cl)cc1 108040391 DARJJIBOAHAHSA-UHFFFAOYSA-N 401.315 3.071 0 40 HGAB C[C@@H](C(=O)NCc1ccccc1)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O 113940412 LTIIFULGIFNMTN-LBPRGKRZSA-N 401.315 3.464 0 40 HGAB O=C(O)c1cc(Cl)nc2c1c(I)nn2[C@H]1CCCCO1 145724368 RCXFMHAFRDJYOB-MRVPVSSYSA-N 407.595 3.087 0 40 HGAB O=S(=O)(Nc1cnn(C[C@H]2COc3ccccc3O2)c1)c1ccc(Cl)s1 206846756 MUBRQMNMSOUBBZ-LBPRGKRZSA-N 411.892 3.239 0 40 HGAB COc1ccc(-c2noc(CN(C)C(=O)c3ccc(CN4CCCC4=O)cc3)n2)cc1 219234237 KPIPKXXJUGSFAG-UHFFFAOYSA-N 420.469 3.140 0 40 HGAB COc1ccc(CCCNC(=O)CCCN(c2ccc(C)cc2)S(C)(=O)=O)cc1 219625877 LMOPQYIRLBSYBN-UHFFFAOYSA-N 418.559 3.299 0 40 HGAB CCN(c1ccc(C(=O)NCCOc2ccc(C)c(Cl)c2)cc1)S(C)(=O)=O 224153510 SIYWAVLAPMIPLT-UHFFFAOYSA-N 410.923 3.243 0 40 HGAB COCc1cccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccc(C)cc3)CC2)c1 224352426 ARCISKLXMOSSME-UHFFFAOYSA-N 416.543 3.322 0 40 HGAB CCS(=O)(=O)Nc1ccc(C(=O)Nc2nnc(-c3ccc(OC)cc3)s2)cc1 224461938 RZHGGZJILYNWBI-UHFFFAOYSA-N 418.500 3.228 0 40 HGAB Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)N[C@H](C)c3ccc(F)cc3)s2)cc1 225344118 FAFSGUOTFPYHKN-GFCCVEGCSA-N 420.491 3.277 0 40 HGAB COc1cc(CN(C)C(=O)c2cn3c4c(cccc4c2=O)C[C@@H]3C)cc(OC)c1OC 225861271 LUZJQCCZRMHHEP-AWEZNQCLSA-N 422.481 3.417 0 40 HGAB COC[C@H](C)NC(=O)CN1CCC(c2cccc(Nc3nc(C)c(C)s3)n2)CC1 257284071 PBDMVEGLSJRADU-AWEZNQCLSA-N 417.579 3.229 0 40 HGAB COc1ccc(-c2cncc([C@H]3CN(C(=O)Cc4ccc(F)cc4)CCO3)n2)cc1 257287785 PRNGSWURSXFJSG-JOCHJYFZSA-N 407.445 3.434 0 40 HGAB CC(=O)N1CCC(Cc2ccccc2F)(C(=O)N2CCC[C@@H](c3cnccn3)C2)CC1 257288812 PVUUZMQQAMDQQV-HXUWFJFHSA-N 424.520 3.193 0 40 HGAB Cc1cccc(C)c1OCC(=O)N1CCC[C@@H](c2n[nH]cc2C(=O)N2CCCCC2)C1 257337571 YTJFRXQTAOHQPG-LJQANCHMSA-N 424.545 3.438 0 40 HGAB COc1ccccc1[C@H](C)NC(=O)[C@H](C)N(c1ccc(C)c(C)c1)S(C)(=O)=O 260805363 BQKUZNLJIQGADU-IRXDYDNUSA-N 404.532 3.344 0 40 HGAB CC(C)n1cnc([C@H]2CN(Cc3ccoc3)C[C@]23CCN(Cc2ccncc2)C3=O)c1 306141156 VMRUAEYDKAPYQI-ZJSXRUAMSA-N 419.529 3.470 0 40 HGAB Cc1cc(Br)c(NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)OCC(C)C)cc1C 408997807 ILOAAOPTGLFSEV-CJNGLKHVSA-N 413.312 3.232 0 40 HGAB C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1ccccc1Br 409258218 UGTRSZSJKAOKBE-SNVBAGLBSA-N 417.712 3.408 0 40 HGAB Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCC(Cc3ccccc3)CC2)cc1 409262932 GHHALSOJPDVTMP-SFHVURJKSA-N 400.544 3.143 0 40 HGAB CCOC(=O)c1cnc2cc3c(cc2c1N1CC[C@H](OCc2ccccn2)C1)OCO3 534795646 IWTWJMFCSFYQRE-INIZCTEOSA-N 421.453 3.331 0 40 HGAB CC(C)[C@H](CNC(=O)c1cc2c(cc1Br)NC(=O)CO2)c1cccnc1 542023922 SUJHHZQCBFPUAB-AWEZNQCLSA-N 418.291 3.345 0 40 HGAB CCN1C[C@@H](C(=O)N2CCC(c3cccc(Nc4ncc(C)s4)n3)CC2)CC1=O 585262714 WNLNFMWKFYOTNM-INIZCTEOSA-N 413.547 3.165 0 40 HGAB CCOCCOc1ccc(CN(C)C[C@@H](O)COc2ccccc2OCC)cc1 585269791 JMLQAHPVHMBPIH-HXUWFJFHSA-N 403.519 3.372 0 40 HGAB O=C(COC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)Nc1cccc2ccccc12 1985866 GSSICONDZPMZKB-LJQANCHMSA-N 402.450 3.370 0 40 HGAB CCOC(=O)c1c(NC(=O)c2ccc3nsnc3c2)sc(C(=O)OC)c1C 2231215 JNOGLJQGZZKCQN-UHFFFAOYSA-N 405.457 3.277 0 40 HGAB COc1ccc(C(=O)Nc2ccccc2C(=O)N[C@@H](C)C(=O)N2CCCCCC2)cc1 3190298 ZZVARDORESUDFT-KRWDZBQOSA-N 423.513 3.468 0 40 HGAB CC1(C)Cc2c(sc(NC(=O)c3ccc4c(c3)OCCO4)c2C(N)=O)C(C)(C)N1 4275260 SFFCHJXKFSFBDD-UHFFFAOYSA-N 415.515 3.030 0 40 HGAB CC(=O)c1ccc(NC(=O)CSc2nnc3ccc(-c4ccccn4)nn23)cc1 4376939 MVPHMDBRJFNEAI-UHFFFAOYSA-N 404.455 3.120 0 40 HGAB CCOC(=O)C1=C(CSc2nc(C)nc3sc(C)c(C)c23)NC(=O)N[C@H]1C 4799439 SFROBLXEXCTBDE-VIFPVBQESA-N 406.533 3.227 0 40 HGAB CC(C)[C@@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)n1cnc2ccccc2c1=O 5265952 UGRCINVKTYNPKW-NRFANRHFSA-N 408.477 3.082 0 40 HGAB C[C@@H]1CCc2c(sc3ncn4nc(CN5C(=O)c6ccccc6C5=O)nc4c23)C1 5350455 QGSQWGWLEHRSFE-LLVKDONJSA-N 403.467 3.260 0 40 HGAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)cc1 6175249 FEQBVLOXIIZISQ-JTQLQIEISA-N 403.287 3.308 0 40 HGAB CCOC(=O)N1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(OC)cc2OC)N3)C1 6732650 LKCXCKPFHUFEDL-QGZVFWFLSA-N 417.487 3.134 0 40 HGAB Cc1ccccc1-n1cnnc1SCC(=O)Nc1ccccc1C(=O)NC1CC1 6831428 BGCLTEGFRCNKOO-UHFFFAOYSA-N 407.499 3.199 0 40 HGAB CC(C)[C@@H](NC(=O)CSc1nnc2n1CCCCC2)c1ccc2c(c1)OCCO2 7280958 NPYUUHKJUHYLKW-HXUWFJFHSA-N 416.547 3.381 0 40 HGAB CCc1nnc(S/C(=C\c2ccc(I)cc2)C(=O)O)[nH]1 7342470 QEALTUDRLOCHAK-YFHOEESVSA-N 401.229 3.190 0 40 HGAB Cc1ccc(S(=O)(=O)N(C)c2cc(S(=O)(=O)NC(C)C)c(C)cc2C)cc1 7636127 FJEUFZFWXMIUCJ-UHFFFAOYSA-N 410.561 3.124 0 40 HGAB COc1ccc(CN(C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)C2CC2)cc1 8156964 WCOKSNXDBGSIBY-UHFFFAOYSA-N 414.527 3.285 0 40 HGAB Cc1ccc(NC(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)c(O)c1 8378874 GZSDXVAJGHWSEW-UHFFFAOYSA-N 402.516 3.447 0 40 HGAB Cc1cccc(-n2nc(C(=O)NCCO)nc2-c2ccc(Br)cc2)c1C 8476630 FOYHKZXWBSYGEC-UHFFFAOYSA-N 415.291 3.036 0 40 HGAB CC(C)[C@@H](Sc1nnc(COc2ccccc2Cl)n1C1CC1)C(=O)NC(N)=O 8719031 ONPLPAUHINIQTN-OAHLLOKOSA-N 423.926 3.157 0 40 HGAB O=C(CSc1nnc(-c2c[nH]c3ccccc23)o1)NC[C@H]1COc2ccccc2O1 9222848 UEUWPKNTUMSESZ-ZDUSSCGKSA-N 422.466 3.266 0 40 HGAB Cc1ccc(/C=C/S(=O)(=O)NCC(=O)OCC(=O)c2cc(C)c(C)cc2C)cc1 9793854 PXOZMPYYZIUWDE-MDZDMXLPSA-N 415.511 3.236 0 40 HGAB CCC[C@@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(OC)c(Cl)c2)C1 9974705 LXWQQFZYWYGZRN-ZIAGYGMSSA-N 402.944 3.054 0 40 HGAB COc1ccc(OC)c(NC(=O)[C@@H](C)N(c2cc(C)ccc2C)S(C)(=O)=O)c1 10327279 FGMLKXWFJBFEQP-OAHLLOKOSA-N 406.504 3.114 0 40 HGAB O=C(Cn1c(-c2cccs2)n[nH]c1=S)NCc1ccc(N2CCCC2=O)cc1 10455320 XMCNJZSNUFTBFS-UHFFFAOYSA-N 413.528 3.112 0 40 HGAB CCn1cc(C(=O)N2CCC(n3c(C)nc4sc(C)c(C)c4c3=O)CC2)c(C)n1 12145434 BJEUFNDIKYOXED-UHFFFAOYSA-N 413.547 3.385 0 40 HGAB Cn1c(SCC(=O)OCC(=O)N[C@@H]2CCCc3ccccc32)nc2ccccc21 12546399 VUUIFKFOWWEPOK-QGZVFWFLSA-N 409.511 3.402 0 40 HGAB Cc1ccc(-n2nc(C)c(NC(=O)CN3C(=O)N[C@@]4(CCCC[C@@H]4C)C3=O)c2C)cc1 12753683 QNXQNTZUALRNMK-NPMXOYFQSA-N 423.517 3.237 0 40 HGAB CC(C)[C@H](NS(=O)(=O)c1ccccc1)C(=O)Nc1ccc(Br)cc1 12939461 WFPNUPSAOIYOTM-INIZCTEOSA-N 411.321 3.391 0 40 HGAB Cn1cccc1[C@H]1CCCN1CC(=O)N1CCN(Cc2c(F)cccc2Cl)CC1 12985722 HEUBMONCRRCIKJ-OAQYLSRUSA-N 418.944 3.299 0 40 HGAB Cc1ccc(C(=O)N/C(=C/c2ccccc2F)C(=O)NCCCn2ccnc2)cc1 13659276 JNEPBXNOXLMORC-RCCKNPSSSA-N 406.461 3.308 0 40 HGAB CC1CCN(C(=O)Cn2nc(C(C)C)c3cnn(-c4ccc(F)cc4)c3c2=O)CC1 13971319 NUZZWEYFFLNTEG-UHFFFAOYSA-N 411.481 3.103 0 40 HGAB COc1cc(C[C@@H]2CC(CNCCc3cccs3)=NO2)c(OC)c2c1OCO2 15085834 OSCOFMREDIAOKV-OAHLLOKOSA-N 404.488 3.014 0 40 HGAB O=C(CCN1C(=O)c2ccc(Br)cc2C1=O)N[C@@H]1CCc2ccccc21 16472274 WNAHGHIEMAQFHU-QGZVFWFLSA-N 413.271 3.239 0 40 HGAB O=c1[nH]c(O)c([C@@H]2NCCc3c2[nH]c2ccccc32)c(=O)n1-c1cccc2ccccc12 16972169 FDQKEPIVTIKFEE-QFIPXVFZSA-N 424.460 3.101 0 40 HGAB biogenic Cc1cccc(NC(=O)Nc2nc(CC(=O)Nc3ccc(C(N)=O)cc3)cs2)c1 17135396 URHYUSJTWWNTJH-UHFFFAOYSA-N 409.471 3.376 0 40 HGAB Cc1ccccc1C(=O)N1CCC(C(=O)N[C@H](C)c2ccc(-n3cncn3)cc2)CC1 18158178 BCGPIKVTQMICHG-GOSISDBHSA-N 417.513 3.305 0 40 HGAB O=C(OCC(=O)N1CCN(c2ccccc2F)CC1)c1cc(F)c(F)cc1Cl 18221296 SRBKXTRYCQRUDN-UHFFFAOYSA-N 412.795 3.263 0 40 HGAB O=C1C[C@H](c2ccccc2F)Cc2nc(N3CCN(c4ccccn4)CC3)ncc21 18223039 FUKPHHPAMJOJAW-MRXNPFEDSA-N 403.461 3.250 0 40 HGAB Cc1nc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)Cc2ccccc2F)cc(=O)[nH]1 19285122 HECYPVNBXQKKEE-HXUWFJFHSA-N 404.445 3.341 0 40 HGAB O=C1NCC2(CCN(C(=O)Cc3c(F)cccc3Cl)CC2)Oc2ccccc21 19374815 VUEYFKDYWJWPAH-UHFFFAOYSA-N 402.853 3.205 0 40 HGAB Cc1nc(N2CCC(C)CC2)ncc1C(=O)N(Cc1ccccn1)C[C@@H]1CCCO1 19663477 IWHGYDCIYDNCKA-FQEVSTJZSA-N 409.534 3.238 0 40 HGAB COc1ccc(CCC(=O)N2CCO[C@@H](c3ccc(-c4cnn(C)c4)cn3)C2)cc1 19693822 DANNJGOBSLENJT-JOCHJYFZSA-N 406.486 3.023 0 40 HGAB O=C(c1cn2cccnc2n1)N1CC[C@H](c2cc(COc3ccccc3Cl)[nH]n2)C1 19704328 IEEZGDHJBZLYON-AWEZNQCLSA-N 422.876 3.315 0 40 HGAB COCCC(=O)N1CC[C@@H](c2ncc(C(=O)Nc3ccc(Cl)cc3)c(C)n2)C1 19766191 IDPNEPDWIGPDOM-CQSZACIVSA-N 402.882 3.043 0 40 HGAB COc1ccc(C(=O)N2CN(CCN3CCOCC3)Cc3c2sc(C)c3C)cc1 20218827 ZFUQVRGPIBPBPQ-UHFFFAOYSA-N 415.559 3.126 0 40 HGAB Cc1cccc(C(=O)Nc2nnc(SCc3cc(=O)n4ccsc4n3)s2)c1 20583360 OFFQUGGLEZQQLM-UHFFFAOYSA-N 415.525 3.461 0 40 HGAB COc1ccc(S(=O)(=O)N(CC(=O)N2CCC(C)CC2)Cc2ccccc2)cc1 21025849 GRGONPBJENAJBZ-UHFFFAOYSA-N 416.543 3.145 0 40 HGAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CN(c1ccccc1)S(C)(=O)=O 22326643 FTKBLMWTECEKGM-GOSISDBHSA-N 402.516 3.180 0 40 HGAB COc1ccc(NC(=O)CN(c2ccccc2C(C)C)S(C)(=O)=O)c(OC)c1 22381967 HSBFUJXNRGKKJK-UHFFFAOYSA-N 406.504 3.232 0 40 HGAB NC(=O)Cn1c(SCc2cn3cc(Cl)ccc3n2)nnc1-c1cccs1 22407885 OQLPDZNOSNSXDB-UHFFFAOYSA-N 404.908 3.085 0 40 HGAB Cc1sc2nc(CN3CCOCC3)nc(N3CCN(c4ccccc4)CC3)c2c1C 23466458 GWSIWAZLVWOWCQ-UHFFFAOYSA-N 423.586 3.467 0 40 HGAB COc1ccc(-c2noc(CN3CCN(C(=O)c4cccc(Cl)c4)CC3)n2)cc1 24293377 GHDORFNHZUPEON-UHFFFAOYSA-N 412.877 3.357 0 40 HGAB CCCN(Cc1nnc(-c2ccco2)o1)C(=O)Cn1c(=O)n(CCC)c2ccccc21 25276578 LICLKLCSHCNUSG-UHFFFAOYSA-N 423.473 3.295 0 40 HGAB COC(=O)c1ccc2[nH]c3c(c2c1)CN(C(=O)c1ccc(-n2ccnc2)cc1)CC3 25455296 MMYJVZXITOSSET-UHFFFAOYSA-N 400.438 3.339 0 40 HGAB O=C(c1cc2ccccc2oc1=O)N1CCN(CCOc2ccccc2Cl)CC1 26081004 NRLHKJQTRZQTSQ-UHFFFAOYSA-N 412.873 3.283 0 40 HGAB Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3ccccc3N3CCCCC3)C2=O)cc1 27066329 ZORZFTQGIAZEQS-XMMPIXPASA-N 420.513 3.391 0 40 HGAB O=c1c2cc(Br)ccc2ncn1Cc1noc(-c2ccc(F)cc2)n1 31692395 LNYMSUWBUQEVHU-UHFFFAOYSA-N 401.195 3.396 0 40 HGAB CNC(=O)c1cccc(CNC(=O)[C@H](C)Oc2ccc(F)cc2Br)c1 32924594 DVCZUOKULACMEY-NSHDSACASA-N 409.255 3.032 0 40 HGAB CC1(C)COCCN1C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 40157876 HXFZWMWOJNGFBX-UHFFFAOYSA-N 414.955 3.156 0 40 HGAB C[C@@H]1CN(c2ccc(CNC(=O)COc3ccc(C(F)(F)F)cc3)cn2)CCO1 44552858 XBBBWDWBYWTAPV-CQSZACIVSA-N 409.408 3.021 0 40 HGAB COc1cc(NS(=O)(=O)c2cccc(F)c2)ccc1NC(=O)c1cccnc1 48312549 YDARBBTULSMXOU-UHFFFAOYSA-N 401.419 3.282 0 40 HGAB Cc1ccc([C@@H]2NC(=O)N(CC(=O)Nc3c(C)cccc3C)C3=C2C(=O)OC3)cc1 49402882 AYRTWMQHCNVVSU-NRFANRHFSA-N 405.454 3.128 0 40 HGAB Cc1cccc(-n2ccnc2S(=O)(=O)[C@H](C)C(=O)N2c3ccccc3C[C@@H]2C)c1 58328485 STTHWGZHUKWGNJ-DLBZAZTESA-N 409.511 3.321 0 40 HGAB CN(C)C(=O)N1CCC[C@H](C(=O)Nc2nnc(COc3ccc(Cl)cc3)s2)C1 59745295 WLKDBNRZDZPNAS-LBPRGKRZSA-N 423.926 3.103 0 40 HGAB COc1cccc(-c2cn(C)c3c(=O)n(CC(=O)Nc4ccccc4F)cnc23)c1 67235548 PHJQYWMHSFKRCM-UHFFFAOYSA-N 406.417 3.188 0 40 HGAB CC(C)NC(=O)c1sc2ccccc2c1[C@H]1CCN(S(=O)(=O)N2CCCC2)C1 72352229 OCIUVNIWZPBORD-HNNXBMFYSA-N 421.588 3.169 0 40 HGAB Cc1cc(Nc2nc(C)cs2)cc([C@H]2CCCN2S(=O)(=O)c2cn(C)cn2)n1 72372719 JSNXMONAFMMWLN-MRXNPFEDSA-N 418.548 3.158 0 40 HGAB Cc1cc(-c2cnn(C)c2)cc([C@@H]2CCN(CC(=O)Nc3nc(C)c(C)s3)C2)n1 72374655 XDWLGMGETUDQBZ-MRXNPFEDSA-N 410.547 3.292 0 40 HGAB CCOc1cc(CN2CCC[C@H](c3cc(=O)[nH]c(-c4cccnc4)n3)C2)ccc1O 72393106 WAVYIIFSDOQDKN-SFHVURJKSA-N 406.486 3.316 0 40 HGAB COc1ccc2c(c1)c([C@@H]1CN(Cc3ccc(OC)c(CO)c3)C[C@H]1N(C)C)cn2C 72395539 NMCNQOFBFUKZAP-LADGPHEKSA-N 423.557 3.217 0 40 HGAB NC(=O)c1cccc(Oc2ccc(NC(=O)c3cncc(Br)c3)cn2)c1 79501921 ZWRALFJFUNJHGZ-UHFFFAOYSA-N 413.231 3.383 0 40 HGAB C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1CNc1ncc(Br)cn1 84678299 CMXZBPKRCNNOKK-JQWIXIFHSA-N 401.305 3.412 0 40 HGAB CN(CC(C)(CO)CO)C(=O)Nc1ccc(N(C)C(=O)c2ccc(Cl)cc2)cc1 95446527 AFNLPKDFOQERKQ-UHFFFAOYSA-N 419.909 3.071 0 40 HGAB CSc1cc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)s3)C2)ccn1 95452246 QIDQQLUSYUQUKL-CYBMUJFWSA-N 411.574 3.213 0 40 HGAB CCC[C@H]1CN(C(=O)[C@@H]2CCn3c(cnc3C3CCCCC3)C2)CCN1CCOC 95993276 VMOHIQYDZLSLFW-RTWAWAEBSA-N 416.610 3.453 0 40 HGAB C[C@H](N[C@H]1CN(Cc2ccccc2)CC[C@H]1C)c1ccc(S(=O)(=O)N(C)C)cc1 97034451 SXKQPZSVQNNKSE-MSYCTHLASA-N 415.603 3.498 0 40 HGAB O=C(CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)Nc1nc(-c2ccc(Cl)cc2)cs1 102304122 HTFHQTUPSLHKLG-OKILXGFUSA-N 401.875 3.353 0 40 HGAB Cc1cc(=O)n2c(n1)NC(N1CCC(Cc3ccccc3)CC1)=N[C@H]2c1ccccn1 104280090 YQXJJYDSIMENRP-JOCHJYFZSA-N 414.513 3.230 0 40 HGAB CCc1cccc(C)c1NC(=O)[C@@H](C)N(c1ccc(OC)c(OC)c1)S(C)(=O)=O 220234608 FRXFWJVDXRXSLT-OAHLLOKOSA-N 420.531 3.368 0 40 HGAB CCOc1ccc(NC(=O)[C@@H](CC)N(c2ccc(OC)cc2)S(C)(=O)=O)cc1 220638268 SHXNKJSQSLNERM-LJQANCHMSA-N 406.504 3.277 0 40 HGAB CC[C@@H](C(=O)N[C@@H](C)c1ccc(C)cc1)N(c1ccc(OC)cc1)S(C)(=O)=O 220657293 VPMQEQHVXREGBT-JXFKEZNVSA-N 404.532 3.426 0 40 HGAB COc1cc(C(=O)NC(C)(C)C)c(N(C)S(=O)(=O)c2ccc(C)cc2)cc1OC 223391571 OWWSHUQCMVXCDY-UHFFFAOYSA-N 420.531 3.366 0 40 HGAB COCc1cccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccccc3F)CC2)c1 224354551 QQLQCKPZUQZGDB-UHFFFAOYSA-N 420.506 3.153 0 40 HGAB CCCC[C@H](CC)CNC(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1 224478047 FTIGXUTXMSLCIZ-GUYCJALGSA-N 402.944 3.200 0 40 HGAB COC(=O)CN(c1cccc(Cl)c1C)S(=O)(=O)c1ccc(OC)c(F)c1 225107534 FMEIPAQQQYUQEQ-UHFFFAOYSA-N 401.843 3.164 0 40 HGAB COc1ccccc1CNC(=O)Cn1ccc(=O)c2ccc(Br)cc21 225741853 NLVFNIZHSKLBGM-UHFFFAOYSA-N 401.260 3.089 0 40 HGAB CNc1nc([C@H]2CCNC2)nc2c1CCN(Cc1cccc(OC3CCCC3)c1)C2 257281029 ONIXWTSULVMBQA-SFHVURJKSA-N 407.562 3.475 0 40 HGAB C[C@@H]1CCCCN1c1cc(C(F)(F)F)nc(NC(=S)NC[C@H]2CCCO2)n1 260724336 ZDBXZLDPJMEAQF-VXGBXAGGSA-N 403.474 3.340 0 40 HGAB COC[C@@H](C)NC(=O)c1ccc(N(Cc2ccccc2Cl)S(C)(=O)=O)cc1 408604702 HTLUGGKAFBOVOV-CQSZACIVSA-N 410.923 3.071 0 40 HGAB CC(=O)c1ccc(NC(=O)CCCC(=O)OCC(=O)Nc2ccc(C(C)=O)cc2)cc1 408656554 FKFKFPFILZRLJI-UHFFFAOYSA-N 424.453 3.383 0 40 HGAB CCS(=O)(=O)N(CC(=O)Nc1cccc(Cl)c1C)c1ccc2c(c1)OCCO2 408702474 GTLGKZPYXPIMNT-UHFFFAOYSA-N 424.906 3.214 0 40 HGAB CCOc1ccccc1Oc1ccccc1C(=O)N1CCC[C@H](S(=O)(=O)NC)C1 531130856 UCDMUSYHUAIHNX-INIZCTEOSA-N 418.515 3.031 0 40 HGAB CN1C(=O)C[C@@H](CNCc2cccnc2Cl)[C@@H]1c1cnn(-c2ccc(F)cc2)c1 583623031 LTYXFXZPLCPCAK-MGPUTAFESA-N 413.884 3.369 0 40 HGAB Cc1nn(C)c(C)c1/C=C/C(=O)N1CC[C@]2(CCCO2)[C@@H](OCc2ccccc2)C1 585290292 QFWMSSZDESPGLW-GPJZNVRBSA-N 409.530 3.417 0 40 HGAB Cc1cc(Nc2cnccn2)nc([C@@H]2CCCCN2C(=O)/C=C/c2csc(C)n2)n1 585290766 DUMOODJLAPYOAY-LXXRFIIISA-N 421.530 3.851 0 40 HGAB O=C(N[C@@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1)c1cnc2n1CCCCC2 1615613750 XOGPRXSMALZKRO-OAHLLOKOSA-N 411.456 3.496 0 40 HGAB CCOC(=O)c1ccc(N(CN2C(=O)c3ccccc3C2=O)C(=O)C(F)(F)F)cc1 910504 XZTUHWVWWJSTLF-UHFFFAOYSA-N 420.343 3.012 0 40 HGAB COc1cccc(-n2c(SCC(=O)NC3CCCC3)nnc2-c2cccnc2)c1 1362350 SHIBZEFPOXHQLX-UHFFFAOYSA-N 409.515 3.489 0 40 HGAB CCOC(=O)c1c(N)n(CCOC(=O)c2ccccc2F)c2nc3ccccc3nc12 2287837 CCYBMZGCHFPAMY-UHFFFAOYSA-N 422.416 3.340 0 40 HGAB COc1cccc(C(=O)COc2ccc(NC(=O)[C@@H]3[C@H]4C(=O)O[C@@H]5C[C@H]3C[C@H]45)cc2)c1 4512343 TXGRDFVGIGWWOK-XYJCIVCISA-N 421.449 3.093 0 40 HGAB O=C(COC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)Nc1ccccc1C(F)(F)F 4550732 IRWDGKHALWAMSE-CYBMUJFWSA-N 406.360 3.240 0 40 HGAB Cc1ccc(C(=O)NCC(=O)OCC(=O)c2cc(C)n(Cc3ccco3)c2C)cc1 4922080 SQUSSCNAZPHPDC-UHFFFAOYSA-N 408.454 3.211 0 40 HGAB CCOc1ccccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2c(C)cccc2C)C1 4942603 FOIMWWVTSJBCMI-QGZVFWFLSA-N 410.470 3.237 0 40 HGAB CCC(C)(C)NC(=O)[C@@H](c1ccc(OC)cc1)N(C(=O)c1csnn1)C1CC1 4964991 JXSWFRBQRYMSDS-QGZVFWFLSA-N 402.520 3.197 0 40 HGAB CCc1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccc2nc(C)sc2c1 5141845 OTEWQGAAVNEEMW-UHFFFAOYSA-N 403.529 3.426 0 40 HGAB Cc1cccc(NC(=O)[C@@H](C)OC(=O)c2sc3nc4n(c(=O)c3c2C)CCC4)c1 5246810 QBIMGOPNSGRXPY-CYBMUJFWSA-N 411.483 3.205 0 40 HGAB CCCC(=O)N1CCC(c2nc(O)c3nnn(Cc4cc(C)ccc4C)c3n2)CC1 5642737 YRDNPINMNPFROY-UHFFFAOYSA-N 408.506 3.098 0 40 HGAB CCCNC(=O)NC(=O)CSc1nnc(-c2cc3c(s2)CC[C@@H](CC)C3)n1C 5776376 BVRKRLWTJWXRKR-GFCCVEGCSA-N 421.592 3.386 0 40 HGAB COC(=O)c1cc(OCC(=O)N[C@@H](C)c2cccc(Cl)c2)cc(C(=O)OC)c1 6602044 SLCWNAZQFOAAFF-LBPRGKRZSA-N 405.834 3.169 0 40 HGAB COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)[C@@H]2COc3ccc(Cl)cc3C2)c1C 7546801 HNTYTVXEJZDYHL-JSGCOSHPSA-N 419.861 3.437 0 40 HGAB O=C(c1cccs1)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 7653391 QHVHMPYHBMZHSP-UHFFFAOYSA-N 405.328 3.202 0 40 HGAB O=C(COc1ccccc1C(=O)Nc1ccccc1)NC[C@@H]1COc2ccccc2O1 8192403 IBEUZSLNVGMWRS-GOSISDBHSA-N 418.449 3.274 0 40 HGAB CC(=O)c1cc(CCC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)oc1C 8193582 LXQQAAPQJVSLRZ-UHFFFAOYSA-N 404.488 3.146 0 40 HGAB CCN(CC)S(=O)(=O)c1cccc(-c2nnc3n2N=C2CCCC[C@H]2S3)c1 8342570 GCLDWVBGZPYINI-MRXNPFEDSA-N 405.549 3.228 0 40 HGAB Cc1ccc2nc(COC(=O)c3cccc(S(=O)(=O)N(C)C(C)C)c3)cn2c1 8482723 GGRXFHAJRWHSON-UHFFFAOYSA-N 401.488 3.029 0 40 HGAB Cn1c(=O)c2c(-c3cccc(Br)c3)n(Cc3ccco3)cc2n(C)c1=O 9419799 VREPYZGWZKEZPW-UHFFFAOYSA-N 414.259 3.110 0 40 HGAB O=C(c1cn(C[C@@H]2CCCO2)cc2c(=O)n(-c3ccccc3)nc1-2)N1CCCCCC1 9663208 LCTMIZYNLDHBIR-IBGZPJMESA-N 420.513 3.334 0 40 HGAB Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)NCCCN2CCCC2)cc1 10450128 YMTWQRHKQPLUNE-UHFFFAOYSA-N 415.559 3.036 0 40 HGAB Cc1nn(C[C@@H](C)C(=O)N2CCC(c3cc4nc(C)c(C)c(O)n4n3)CC2)c(C)c1C 12134093 VGJFRUYXIZPHIL-CYBMUJFWSA-N 424.549 3.216 0 40 HGAB COc1cc(C(=O)N2CCC[C@H](n3nnc4cc(F)ccc43)C2)cc(OC)c1OC 12184816 CQCOYZKCTZZGFQ-HNNXBMFYSA-N 414.437 3.074 0 40 HGAB COc1ccc([C@@H]2CC(=O)Nc3c2cnn3Cc2ccc3c(c2)OCO3)c(OC)c1 12419987 NMQSNFBWCDADHC-INIZCTEOSA-N 407.426 3.151 0 40 HGAB O=C(c1ccno1)N(CCCN1CCOCC1)c1nc2c(Cl)cccc2s1 12443820 PVZHFRFWLFCKIY-UHFFFAOYSA-N 406.895 3.307 0 40 HGAB CC(=O)Nc1cccc(NC(=O)Cn2cc(OCc3ccccc3)c(=O)cc2C)c1 12450948 PDGLGWVWFBWCAU-UHFFFAOYSA-N 405.454 3.333 0 40 HGAB O=C(NCc1ccccc1F)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 12891694 VJEHZJFOFIIWPQ-UHFFFAOYSA-N 416.518 3.032 0 40 HGAB Cc1nc2ccc(C(=O)N3CCN(C(=O)c4ccc(Cl)cc4)CC3)cc2nc1C 12986382 TYUJXHLVUPBUOZ-UHFFFAOYSA-N 408.889 3.498 0 40 HGAB CC[C@H](C(=O)Nc1cccc(NC(C)=O)c1)N(c1ccc(C)c(C)c1)S(C)(=O)=O 13716768 IWKKEMVQFACCDK-HXUWFJFHSA-N 417.531 3.445 0 40 HGAB Cc1ccc(C)c(NC(=O)COC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3)C2)c1 13856514 PSUTXFACVOTBPW-HNNXBMFYSA-N 400.862 3.492 0 40 HGAB CCCCn1c(N)c(N(CC(C)C)C(=O)c2ccc3ccccc3c2)c(=O)[nH]c1=O 14159612 YSUSMEAELUBNIK-UHFFFAOYSA-N 408.502 3.375 0 40 HGAB COc1ccc(CNC(=O)[C@@H]2Cc3[nH]cnc3CN2Cc2ccc(Cl)cc2)cc1 15676246 PXEDTPKPMJZSHQ-NRFANRHFSA-N 410.905 3.315 0 40 HGAB biogenic,in-vitro Cc1cc2nc(COC(=O)c3ccccc3NC(=O)c3ccccc3)cc(=O)n2o1 15772298 OJUKTMSZUCJMMV-UHFFFAOYSA-N 403.394 3.205 0 40 HGAB CCN(Cc1ccccc1)C(=O)c1ccc(N2C(=O)[C@@H](C)CS2(=O)=O)cc1Cl 15858329 QUYURYUZKMIMNF-AWEZNQCLSA-N 420.918 3.315 0 40 HGAB CC(C)C[C@H](C(=O)N(C)Cc1ccc2c(c1)OCO2)N1C(=O)c2ccccc2C1=O 18156280 ZXCXIQULMZICIH-GOSISDBHSA-N 408.454 3.085 0 40 HGAB O=C([C@H]1CCCCO1)N1CCC[C@H](c2cc3nc(C(F)(F)F)ccc3c(=O)[nH]2)C1 19341775 NYIIZPIKUAUKLT-BLLLJJGKSA-N 409.408 3.217 0 40 HGAB O=S(=O)(c1ccc(Cl)s1)N1CCC(c2nnc3n2CCCCC3)CC1 19345033 ASZSINLQXCXQSK-UHFFFAOYSA-N 400.957 3.288 0 40 HGAB Cc1ccc(C)c(C(=O)[C@@H]([C@H](c2ccccc2)N2CCOCC2)N2CCOCC2)c1 19366003 NJOYXILDEFCESZ-BJKOFHAPSA-N 408.542 3.260 0 40 HGAB O=C(Cc1cccnc1)N1Cc2ccccc2OC2(CCC(N3CCOCC3)CC2)C1 19375583 NZHWJVLTQLSUHL-UHFFFAOYSA-N 421.541 3.059 0 40 HGAB CC1CCC(N2CCc3nc([C@@H]4CCCN4C(=O)c4cccnc4)nc(O)c3C2)CC1 19496005 CQPKXFWQMMWHKO-IAYYMHMVSA-N 421.545 3.491 0 40 HGAB CCCC(=O)N1CCc2nc([C@@H]3CCCN(Cc4ccc(CC)cc4)C3)[nH]c(=O)c2C1 19501586 IIYNSSCRFDIYBE-HXUWFJFHSA-N 422.573 3.397 0 40 HGAB CCN1CCN(C(=O)c2cn(C)cn2)C[C@@H](Cc2ccccc2-c2ccccc2)C1=O 19527654 LUUPMQNABSWABI-OAQYLSRUSA-N 416.525 3.250 0 40 HGAB O=C(Nc1ccccc1C(=O)N1CCN(Cc2ccccc2)CC1)c1cccnc1 19720127 BCGZPSRZCHZMPJ-UHFFFAOYSA-N 400.482 3.292 0 40 HGAB COc1c(C)cccc1CN(C)Cc1cc(N(C)C)nc([C@H]2CCCN2C(C)=O)n1 19760337 REBFBYQWKXKTBG-HXUWFJFHSA-N 411.550 3.175 0 40 HGAB CCOc1ccc2oc(C)c(C(=O)N3CCC[C@H](c4ncc(C(N)=O)c(C)n4)C3)c2c1 19763752 TUXQTSXRIMFMGE-HNNXBMFYSA-N 422.485 3.357 0 40 HGAB CCc1nnc(NC(=O)CSc2nnc(COc3ccc(C)c(C)c3)o2)s1 19928081 PWHGVNYIXVCPHW-UHFFFAOYSA-N 405.505 3.410 0 40 HGAB CS(=O)(=O)N1C[C@@H](C(=O)NC(c2ccccc2)c2ccccc2)Oc2ccccc21 19932912 OEIBBTPGUWCZJV-NRFANRHFSA-N 422.506 3.119 0 40 HGAB CCN1CCN(CC(=O)NC2=Nc3ccccc3N=C(C)[C@@H]2c2ccccc2)CC1 19938258 WVOMBQKFGLFIJF-HSZRJFAPSA-N 403.530 3.360 0 40 HGAB O=C(NCCC(=O)N1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc(F)cc1F 21312145 JHNDJLXCVSLJJF-UHFFFAOYSA-N 421.875 3.083 0 40 HGAB Cc1ccc([C@@H](CNC(=O)COc2ccc(Cl)cc2)N2CCN(C)CC2)cc1 22582395 PUPYQSASKOGHAN-OAQYLSRUSA-N 401.938 3.132 0 40 HGAB CCc1cc2c(CN3CCN(Cc4ccc5c(c4)CCO5)CC3)cc(=O)oc2cc1O 23303291 NNGAAYWORPQSKB-UHFFFAOYSA-N 420.509 3.314 0 40 HGAB COCCn1c(S[C@H](C)c2nc3ccccc3c(=O)[nH]2)nnc1-c1ccncc1 23631157 LCERWTJRMDAOFK-CYBMUJFWSA-N 408.487 3.076 0 40 HGAB O=C(CN1C(=O)NC2(CCCC2)C1=O)Nc1nc(-c2cc3ccccc3o2)cs1 23883236 ZVFYXYRVZBKNOD-UHFFFAOYSA-N 410.455 3.359 0 40 HGAB Cc1ccc(C)c(OC[C@H](O)CN(c2nccs2)S(=O)(=O)c2ccccc2)c1 24842767 UHCRUGLPCBCBPO-QGZVFWFLSA-N 418.540 3.395 0 40 HGAB CCN(CC(=O)Nc1ccc(Br)cc1)S(=O)(=O)c1ccc(F)cc1 28059171 LGKDOWBJBXGWRF-UHFFFAOYSA-N 415.284 3.238 0 40 HGAB COc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1ccccc1N1CCCCC1 28940244 ZLHWSNTUGRUZCD-UHFFFAOYSA-N 403.504 3.445 0 40 HGAB Cc1cc(C(=O)O)cc(S(=O)(=O)Nc2cc(Cl)ccc2C(=O)N(C)C)c1C 31776761 LWWJNWOYRZGQFI-UHFFFAOYSA-N 410.879 3.158 0 40 HGAB CCc1ccc(-c2nc(=O)n(CC(=O)NCc3ccco3)c3sc(C)nc23)cc1 32616295 PNIWZFQGKLYMHL-UHFFFAOYSA-N 408.483 3.300 0 40 HGAB C[C@@H]1CCc2nc(NC(=O)[C@H]3CCCN3S(=O)(=O)c3ccccc3)sc2C1 32795869 DVUNFCAQMZRPBK-CZUORRHYSA-N 405.545 3.060 0 40 HGAB CCC(C)(C)NC(=O)c1ccc(CNS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 32904816 YCMSJNIKNWZJJF-UHFFFAOYSA-N 417.531 3.042 0 40 HGAB Cc1ccc(-c2cnc(-c3ccccc3C(=O)NC[C@@H]3CCS(=O)(=O)C3)o2)cc1 40072278 AMYYQCPJNCRBLM-INIZCTEOSA-N 410.495 3.482 0 40 HGAB Cc1cc(Cc2cnc(NC(=O)C3=NN(C)C(=O)CC3)s2)ccc1Br 48344169 KLGLHIAPFZLNPB-UHFFFAOYSA-N 421.320 3.352 0 40 HGAB O=C(Cn1c(=O)n(-c2ccccc2)c(=O)c2sccc21)N1CCCc2ccccc21 57428718 FOOHMUORNJNLBW-UHFFFAOYSA-N 417.490 3.193 0 40 HGAB O=C(/C=C/c1cc(Cl)c2c(c1)OCCCO2)NC1CCN(CC(F)F)CC1 58421740 FSMPPINSSLVTMP-NSCUHMNNSA-N 400.853 3.360 0 40 HGAB Cc1ccc2nc(NC(=O)[C@H]3CCCN(c4ccc(-n5cccn5)nn4)C3)sc2c1 62022780 FDLRSZHUUUPKLB-HNNXBMFYSA-N 419.514 3.436 0 40 HGAB Cc1cc(C)cc(Nc2nc(C)cc(=O)n2CC(=O)Nc2ccc3c(c2)OCCO3)c1 65311024 OGGCNZDGXLXKDW-UHFFFAOYSA-N 420.469 3.322 0 40 HGAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3c(F)cccc3F)CC2)cc1 68798319 BGXIHRITROYWDD-UHFFFAOYSA-N 424.469 3.403 0 40 HGAB Cc1nc(C(=O)N2CCC[C@H]2C(=O)Nc2nccs2)nn1-c1ccccc1C(C)C 70038825 BMVBHJCBUATIHJ-KRWDZBQOSA-N 424.530 3.399 0 40 HGAB COc1cccc(OC)c1CN1CCC[C@@H](c2cc(=O)[nH]c(-c3cccnc3)n2)C1 72393063 SXPGNPKUYDUINH-QGZVFWFLSA-N 406.486 3.229 0 40 HGAB Cc1cccc(C(=O)N[C@@H](C(=O)Nc2ccc(C3=NNC(=O)CC3)cc2)C(C)C)c1 79015753 QHFWWPJPWNWAGM-OAQYLSRUSA-N 406.486 3.002 0 40 HGAB COc1ccccc1NC(=O)c1c(NS(=O)(=O)c2ccc(C)c(F)c2)n[nH]c1C 84183375 OSGSOZBBWZWIFV-UHFFFAOYSA-N 418.450 3.227 0 40 HGAB CN(Cc1ccnc(N(C)C)n1)C(=O)Nc1nnc(C(C)(C)c2ccccc2)s1 95460946 YLGPMWCVTMYZSF-UHFFFAOYSA-N 411.535 3.384 0 40 HGAB NC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2cc(Cl)ccc2F)CC1 95946959 FLDGGNGDGVCHIE-KRWDZBQOSA-N 410.276 3.117 0 40 HGAB CSCC[C@H](NC(=O)c1cc(-c2ccccc2)nn1C)c1nnc2ccccn12 96117186 NNMRNKMVWFSHAH-INIZCTEOSA-N 406.515 3.354 0 40 HGAB Cc1c([C@H]2SCC(=O)Nc3ncn(-c4ccc(Br)cc4)c32)cnn1C 96118242 NTDPYQAMXIOHDX-MRXNPFEDSA-N 418.320 3.451 0 40 HGAB COc1ccc(C(=O)NCCN2C(=O)S/C(=C/c3ccccc3)C2=O)cc1OC 96585744 KAKRJOWIALDZIL-LDADJPATSA-N 412.467 3.170 0 40 HGAB Cc1c(C(=O)N(CCO)Cc2ccccc2)sc2nc3n(c(=O)c12)CCCCC3 98074801 QCNHUBVUJKZIAO-UHFFFAOYSA-N 411.527 3.128 0 40 HGAB O=c1ccc(-c2cccs2)nn1CC1(O)C[C@@H]2CCC[C@@H](C1)N2Cc1cccnc1 100150297 FNEZUJADYXQCOS-OALUTQOASA-N 422.554 3.315 0 40 HGAB COc1ccc(CCN2C(=O)[C@@H](C(=O)O)[C@@H]3C[C@]2(C)Oc2ccccc23)cc1OC 100213393 HROGDGHGXBIPPD-CGYQNGNCSA-N 411.454 3.072 0 40 HGAB CSc1ccccc1CN1[C@@H]2CC[C@@H]1CC(O)(Cn1nc(C3CC3)ccc1=O)C2 100738333 NHLWWUSPZUMPQD-RTBURBONSA-N 411.571 3.401 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3ccccc3n2CC)cc1 100821212 XNUCLGDLHHQZSD-MRCUWXFGSA-N 417.556 3.494 0 40 HGAB CCn1/c(=N/C(=O)c2c(OC)cccc2OC)sc2c(OC)ccc(OC)c21 100909102 MHGOGHBZYZMAKU-MRCUWXFGSA-N 402.472 3.498 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)COc1cc(C)ccc1C 216407207 MWFCOLQAQKIERW-UHFFFAOYSA-N 418.515 3.114 0 40 HGAB COC(=O)c1sccc1S(=O)(=O)N1CCS[C@@H](c2cccs2)CC1 219551181 ZFQNJNWWPSZDFD-GFCCVEGCSA-N 403.572 3.465 0 40 HGAB Cc1cc(S(=O)(=O)NC(C)C)ccc1OCC(=O)N1c2ccccc2C[C@@H]1C 222768749 MCAWAXQCDKTBJG-INIZCTEOSA-N 402.516 3.038 0 40 HGAB CCOCCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)Cc1ccccc1 222990648 JPNIEVABCQUAJC-IBGZPJMESA-N 412.530 3.198 0 40 HGAB Cc1cc(S(=O)(=O)NC2CC2)ccc1OCC(=O)N[C@@H](C)c1ccc(Cl)cc1 223058171 JOGBRRAWNLGOOA-AWEZNQCLSA-N 422.934 3.345 0 40 HGAB COc1ccc(S(=O)(=O)N[C@@H](C)c2ccc3c(c2)CCC3)cc1N1CCCC1=O 223212267 DJTMZEXDQHVEJV-HNNXBMFYSA-N 414.527 3.350 0 40 HGAB CCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN1C(=O)c2cccc3cccc1c23 223526409 ULSOHBSCWHDXBU-KRWDZBQOSA-N 415.493 3.353 0 40 HGAB Cc1ccc(OCCNS(=O)(=O)c2ccc(N3CCCC3=O)c(C)c2)cc1C 224376113 LBZPEPBGCHZEDS-UHFFFAOYSA-N 402.516 3.096 0 40 HGAB O=C(CSC1CCCC1)N1CCC(Cc2n[nH]c(=O)n2-c2cccs2)CC1 225545421 QVAKMTWKOHZOMI-UHFFFAOYSA-N 406.577 3.079 0 40 HGAB COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)N[C@@H](C)CCc1ccccc1 225545994 MGMZSYVRDPRWSJ-KRWDZBQOSA-N 418.559 3.016 0 40 HGAB CC[C@@H]1C[C@@H](C(F)(F)F)n2nc([C@H]3CCCN3S(=O)(=O)N3CCCC3)cc2N1 253608432 FTQJKIMDVLQVQJ-YUELXQCFSA-N 421.489 3.058 0 40 HGAB CN(Cc1ccc(F)cc1)C[C@]1(O)CCCN(C(=O)c2n[nH]c3ccccc23)CC1 257214547 CMJZQTOQNXSDDO-QHCPKHFHSA-N 410.493 3.191 0 40 HGAB CCCCc1cc(C(=O)N2CCC[C@](O)(CN(C)Cc3ccc(F)cc3)CC2)[nH]n1 257318078 VMKKAWZIZXVJND-HSZRJFAPSA-N 416.541 3.381 0 40 HGAB NC(=O)C[C@@]1(COc2ccccc2)CCCN(C(=O)COc2ccc(Cl)cc2)C1 257320217 VVUXAIJVGIIQHS-QFIPXVFZSA-N 416.905 3.282 0 40 HGAB Cc1cc2c(=O)c(-c3ccc(O[C@H](C)C(=O)O)cc3)coc2cc1O[C@H](C)C(=O)O 263583666 SNPKPSDVBDSFEQ-CHWSQXEVSA-N 412.394 3.472 0 40 HGAB CC(=O)c1cccc(NS(=O)(=O)c2ccc(O[C@H](C)C(=O)NCC(C)C)cc2)c1 408596097 RDSXUCJLLLEXOQ-MRXNPFEDSA-N 418.515 3.230 0 40 HGAB CCOC(=O)c1ccc(NC(=O)CCCN(c2ccc(C)cc2)S(C)(=O)=O)cc1 408678214 DECWWGKCFQFERA-UHFFFAOYSA-N 418.515 3.357 0 40 HGAB Cc1ccc(CNC(=O)CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)cc1 408924660 LDEPLOBOYBMJNQ-UHFFFAOYSA-N 401.315 3.384 0 40 HGAB COc1ccc(/C=C2\SC(=O)N(CC(=O)N3CCCC[C@H]3C)C2=O)cc1OC 409203176 UYEAGJYJDGOTHV-GPLLRDDGSA-N 404.488 3.141 0 40 HGAB COC(=O)c1ccc(C(=O)N2CC[C@H](c3ccccc3Cl)S(=O)(=O)CC2)cc1 575414627 FCKMXAOBFSPSPS-GOSISDBHSA-N 421.902 3.129 0 40 HGAB Cc1cc(N2CCN(c3ccc(-c4sc(C)nc4C)nn3)CC2)n2nc(C)cc2n1 1888926450 JVGBMUBPFGVGLR-UHFFFAOYSA-N 420.546 3.203 0 40 HGAB CCOC(=O)c1ccc(Nc2cc3n(c(=O)n2)CCc2cc(OC)c(OC)cc2-3)cc1 2110714 RKKPSOHBDMBDQN-UHFFFAOYSA-N 421.453 3.404 0 40 HGAB biogenic CN(C[C@@H](CC(=O)O)c1ccccc1)S(=O)(=O)c1ccc(Br)cc1 3627415 ZAYJNNROIJHMNP-CQSZACIVSA-N 412.305 3.328 0 40 HGAB Cc1csc2nc(COC(=O)C(O)(c3ccccc3)c3ccccc3)cc(=O)n12 4328946 GXUFSMDHNKCBJX-UHFFFAOYSA-N 406.463 3.044 0 40 HGAB CN(CC(=O)Nc1ccccc1Cl)C(=O)COC(=O)c1cc2ccccc2o1 4332454 JKPMWGSBRUKZCH-UHFFFAOYSA-N 400.818 3.340 0 40 HGAB CC[C@@H](c1nnc(S[C@H](C)C(=O)N2CCCC2)n1Cc1ccccc1)N(C)C 4494508 OXQFZWUCANOXEM-AEFFLSMTSA-N 401.580 3.442 0 40 HGAB COc1ccc(F)cc1S(=O)(=O)N[C@H](C(=O)OCCC(C)C)c1ccccc1 4694403 ZVLUCFTVMHZXMH-IBGZPJMESA-N 409.479 3.443 0 40 HGAB CC(C)NC(=O)Cn1c(SCC(=O)N2C[C@H](C)C[C@@H](C)C2)nc2ccccc21 4859294 FGSOMNYRKIDQHG-HZPDHXFCSA-N 402.564 3.158 0 40 HGAB Cc1ccc2[nH]c(SCC(=O)c3ccc(CC(=O)N4CCOCC4)s3)nc2c1 5267274 PDNXPIYKSOFWSP-UHFFFAOYSA-N 415.540 3.309 0 40 HGAB Cc1cccc(C)c1NC(=O)CSc1nnc(CC(=O)Nc2ccccc2)n1C 6479176 MTASHEPJMIQKAR-UHFFFAOYSA-N 409.515 3.344 0 40 HGAB COc1ccc(S(=O)(=O)N(CC(=O)N2CCCC2)Cc2ccccc2)cc1Cl 6646974 FAGMYPLEAHJSGA-UHFFFAOYSA-N 422.934 3.162 0 40 HGAB Cc1ccc(N2CCn3c2nc2c3c(=O)n(C/C=C/c3ccccc3)c(=O)n2C)cc1 6749060 SYIYQFYQCBDHLO-RMKNXTFCSA-N 413.481 3.070 0 40 HGAB C[C@H](NC(=O)CSc1nnc(CN2CCCC2)n1-c1ccccc1)c1ccco1 7318513 RBBKNVBIRFEDFD-INIZCTEOSA-N 411.531 3.426 0 40 HGAB C[C@H](NC(=O)CN1C(=O)N[C@](Cc2ccccc2)(c2ccccc2)C1=O)c1ccco1 7329354 ZITKQZCJBAEOCY-BXKMTCNYSA-N 417.465 3.147 0 40 HGAB CCCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2cccc(Br)c2)n1 7420266 JKZDWRAPGDJLEU-UHFFFAOYSA-N 416.279 3.231 0 40 HGAB O=C(NCc1ccccc1F)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 7754956 WHABLYSZFNPXTN-NTCAYCPXSA-N 402.491 3.155 0 40 HGAB Cc1nnc(SCC(=O)Nc2cccc(N3CCCC3=O)c2)n1-c1ccccc1 8393433 ZICTXRDABJIUPO-UHFFFAOYSA-N 407.499 3.433 0 40 HGAB Cc1c(Cl)cccc1-n1ccnc1SCC(=O)N1CCN(C(=O)C2CC2)CC1 8707671 FCIIZNHWCGFPLP-UHFFFAOYSA-N 418.950 3.007 0 40 HGAB Cc1cccc(N2C(=O)N(c3cccc(Br)c3)[C@@H]3CS(=O)(=O)C[C@H]32)c1 8828030 KWNCWKOSRRULPN-IAGOWNOFSA-N 421.316 3.370 0 40 HGAB C[C@H](CCc1ccccc1)NC(=O)CCCNC(=O)N1CC(=O)Nc2ccccc21 9134929 IMPZBLRPVGYFTQ-QGZVFWFLSA-N 408.502 3.072 0 40 HGAB COc1cc(OC)cc(C(=O)Nc2nc(CC(=O)NCc3cccs3)cs2)c1 9659217 NFMRFXDLJWIBNS-UHFFFAOYSA-N 417.512 3.333 0 40 HGAB Cn1ccnc1SCC(=O)Nc1ccccc1C(=O)NCCc1ccccc1F 9751346 BIIPCMGHQBCFAA-UHFFFAOYSA-N 412.490 3.263 0 40 HGAB COc1cn(CC(=O)Nc2cccc(F)c2)c(CSc2nnc(C)s2)cc1=O 10254779 DCKAHQDGMJKQNR-UHFFFAOYSA-N 420.491 3.087 0 40 HGAB O=C(COC(=O)c1c(Cl)nc2sccn12)Nc1ccc2c(c1)OC(F)(F)O2 10991943 XWLALJJNOLMUQZ-UHFFFAOYSA-N 415.761 3.166 0 40 HGAB COc1cn(-c2ccccc2)nc1C(=O)N(C)Cc1cnn(Cc2ccccc2)c1 11083760 REFIOYGASSIZEE-UHFFFAOYSA-N 401.470 3.398 0 40 HGAB Cc1ccc(-c2cc3c(=O)n(CC(=O)Nc4cc(F)ccc4F)ncn3n2)cc1C 11666420 QBERXNQCADLAKM-UHFFFAOYSA-N 409.396 3.092 0 40 HGAB COc1ccc(OC)c(CC(=O)N2CCC(c3noc(-c4cccnc4)n3)CC2)c1 12186986 XFTPRVXQRMZHMR-UHFFFAOYSA-N 408.458 3.098 0 40 HGAB Cc1cc(-c2cnc(NC3CC3)nc2C2CCN(C(=O)c3ccccn3)CC2)on1 12224795 JDFBBISVBQILAN-UHFFFAOYSA-N 404.474 3.429 0 40 HGAB Cc1nc(-c2ccccc2Cl)sc1C(=O)NCc1ccc(S(N)(=O)=O)cc1 12323325 FPHLRUMVXBEASC-UHFFFAOYSA-N 421.931 3.349 0 40 HGAB COc1ccc(CNC(=O)[C@@H]2CCCN(c3cnc4ccccc4n3)C2)cc1OC 12414695 NMDCARIENXJTNA-QGZVFWFLSA-N 406.486 3.180 0 40 HGAB CN(C)[C@H](CNC(=O)CCn1c(S)nnc1-c1cccs1)c1cccc(F)c1 12551867 UMUAVHLWHVUAIX-OAHLLOKOSA-N 419.551 3.244 0 40 HGAB CCC(CC)[C@H](CNC(=O)c1cc(Br)ccc1F)N1CCOCC1 12748322 UOPGEVGZPGTXCU-KRWDZBQOSA-N 401.320 3.455 0 40 HGAB COc1cc(NC(=O)c2ccccc2S(=O)(=O)N2CCCCC2)cc(OC)c1 12793231 QNCFKIFLVFFMEY-UHFFFAOYSA-N 404.488 3.131 0 40 HGAB CC1(C)CC(NC(=O)[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2)CC(C)(C)N1 12824908 WLVPLWGYIMYFKZ-CYBMUJFWSA-N 422.367 3.227 0 40 HGAB CC(=O)Nc1ccc2nc(NC(=O)[C@@H](C)NC(=O)/C=C/c3ccccc3)sc2c1 13011419 UAXPLDFPPZWVOT-RUNBWSAHSA-N 408.483 3.411 0 40 HGAB Cc1ccc(C(=O)OCC(=O)Nc2ccccc2C(=O)Nc2ccc3c(c2)OCO3)o1 13015044 PWPJCTAHGBMVKB-UHFFFAOYSA-N 422.393 3.365 0 40 HGAB CC[C@@H](C(=O)Nc1ccc(C(=O)OC)cc1)N(c1ccc(C)c(C)c1)S(C)(=O)=O 13716209 JFJSTMCUSIPPGW-IBGZPJMESA-N 418.515 3.273 0 40 HGAB COc1ccc(Cl)cc1N1C[C@@H](C(=O)Nc2nc(C)c(C(C)=O)s2)CC1=O 14180367 OQDNOWBYWRBEJK-NSHDSACASA-N 407.879 3.308 0 40 HGAB COC(=O)c1ccc(Cl)c(NC(=O)CN(c2c(C)cccc2C)S(C)(=O)=O)c1 14412773 LOAMWJHDHZQUHZ-UHFFFAOYSA-N 424.906 3.148 0 40 HGAB COC(=O)c1ccc(C)c(NC(=O)CNc2cc(Cl)ccc2N2CCOCC2)c1 15322010 SPQRQVVMXUFKSS-UHFFFAOYSA-N 417.893 3.322 0 40 HGAB O=C(Nc1ccccc1)C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 15364021 AEJMTSHKBJAKDC-UHFFFAOYSA-N 423.332 3.489 0 40 HGAB COc1ccc(Cl)cc1CN(C)S(=O)(=O)c1ccc2c(c1)CCCN2C(C)=O 15365410 UFURQGHZNUCYOE-UHFFFAOYSA-N 422.934 3.468 0 40 HGAB Cc1ccc(C)c(N2CCN(c3ccc(S(=O)(=O)c4ccccc4)nn3)CC2)c1 16847053 MRZHWEVADOVZOI-UHFFFAOYSA-N 408.527 3.253 0 40 HGAB CCc1nc2cc(NC(=O)CN3C(=O)N[C@@]4(CCCC[C@H]4C)C3=O)ccc2n1CC 19523209 UFBUIQHBZUKTMV-JLCFBVMHSA-N 411.506 3.058 0 40 HGAB COc1cc([C@@H]2CC(=O)c3cn4nc(C(F)(F)F)nc4nc3C2)cc(OC)c1OC 19816605 PNJXZYCMGHSQJK-VIFPVBQESA-N 422.363 3.082 0 40 HGAB Cc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCN2CCOCC2)cc1 19897790 HSYKLCUASSQWHL-JOCHJYFZSA-N 418.493 3.369 0 40 HGAB CCOC(=O)[C@@H]1C(=O)N=C(N2CCc3ccccc3C2)N[C@H]1c1ccc(SC)cc1 20636840 XFHNJKGNKCLCNB-PMACEKPBSA-N 423.538 3.173 0 40 HGAB Cn1cc(C(=O)NCCc2nc3ccccc3[nH]2)c(-c2ccc3c(c2)OCCCO3)n1 22369304 ZSNNRJIFNVSLRU-UHFFFAOYSA-N 417.469 3.097 0 40 HGAB O=C1NCCN1CCN1CCN([C@@H]2C[C@@H](c3ccc(F)cc3)c3ccccc32)CC1 22463226 GHAMYXPEZSUOCU-XZOQPEGZSA-N 408.521 3.045 0 40 HGAB in-man C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CN(C)Cc1cnn(Cc3ccccc3)c1)C2=O 23761664 FOJJNTRBGAQTTR-KOSHJBKYSA-N 423.561 3.458 0 40 HGAB CCN(CC)[C@@H](CNC(=O)c1ccc2c(c1)OCC(=O)N2)c1ccccc1Cl 24986726 SPACSRNDUJLHRQ-SFHVURJKSA-N 401.894 3.484 0 40 HGAB COC(=O)c1cccc2c1CCCN2C(=O)C[C@@H](NC(C)=O)c1ccc(OC)cc1 25194161 JUOFUQZNIZURLD-HXUWFJFHSA-N 410.470 3.029 0 40 HGAB CC(=O)c1ccc(N2CCN(S(=O)(=O)c3cccc4cc(C)cnc34)CC2)cc1 26111905 OAEOSTGUAVALRT-UHFFFAOYSA-N 409.511 3.257 0 40 HGAB O=S(=O)(NCc1cccnc1OC1CCCC1)c1ccc2c(c1)OCCCO2 30433655 TVGBZDBWISVGQM-UHFFFAOYSA-N 404.488 3.043 0 40 HGAB CC(=O)c1cccc(N2C(SCc3ccccc3)=N[C@@H]3CS(=O)(=O)C[C@H]32)c1 32640595 BGNOEQREIJOUTM-RTBURBONSA-N 400.525 3.164 0 40 HGAB O=C1CC[C@]2(C(=O)NCc3ccccc3Cn3cccn3)Sc3ccccc3N12 32902803 VPHNAORCTMNMRK-JOCHJYFZSA-N 404.495 3.177 0 40 HGAB CSc1ccc(CN(C)C(=O)CN(C)S(=O)(=O)c2ccc(Cl)s2)cc1 32966521 QIEWVQIZHZFJHZ-UHFFFAOYSA-N 418.993 3.403 0 40 HGAB Cc1ccc(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@@]4(C(=O)Nc5c(C)cc(C)cc54)[C@@H]3C2=O)cc1 33703890 YPCMCWLQNKCUTE-PBQROFAYSA-N 415.493 3.043 0 40 HGAB biogenic COc1c([C@@H]2CC(=O)Nc3c2ncn3-c2ccc(F)cc2)cc2c(c1OC)OCO2 35324408 GKMNWNBJJPDSIF-ZDUSSCGKSA-N 411.389 3.231 0 40 HGAB Cc1ccc(-c2noc(CN3CCN(C(=O)N(C)Cc4ccccc4)CC3)n2)cc1 36397791 KYLSPFIIWQSJIA-UHFFFAOYSA-N 405.502 3.415 0 40 HGAB COc1cc(OC)cc([C@H]2c3[nH]cnc3CCN2C(=O)Nc2ccccc2C(=O)O)c1 40309596 MVSCJKXYSXVYJS-FQEVSTJZSA-N 422.441 3.305 0 40 HGAB biogenic COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCC(C)CC3)C2)cc1Cl 47081015 LRNDUUORESKLGF-HNNXBMFYSA-N 414.955 3.008 0 40 HGAB Cc1nc(Oc2ccccc2)cc(N2CCN(S(=O)(=O)c3cccs3)CC2)n1 48985290 YSAFUCMIVCYPGN-UHFFFAOYSA-N 416.528 3.150 0 40 HGAB O=C(COc1ccccc1)N1CCC(CNC(=O)C2(c3ccc(F)cc3)CC2)CC1 49522888 NTNQEUZEUNHMLQ-UHFFFAOYSA-N 410.489 3.291 0 40 HGAB COc1ccc(CN(C)C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)cc1 52955755 XYCNQDZBHTWCQJ-LJQANCHMSA-N 416.543 3.063 0 40 HGAB O=C(Cc1cc(Cl)c2c(c1)OCCCO2)NCc1cccc(N2CCOC2=O)c1 56963423 RZFJGFAAVJEUCU-UHFFFAOYSA-N 416.861 3.317 0 40 HGAB COC(=O)C1=C(CN2CC=C(c3ccccc3)CC2)NC(=O)N[C@@H]1c1cccs1 57415910 XATOQHAASDITIP-HXUWFJFHSA-N 409.511 3.318 0 40 HGAB C[C@@H](NCC(=O)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1)c1ccccc1Cl 57650872 PJCSYQZAURAILA-NVXWUHKLSA-N 406.935 3.211 0 40 HGAB CC(=O)N1CCc2cc(S(=O)(=O)NC3(c4ccc(F)cc4)CCCC3)ccc21 58049517 OEFXNHDTYWSCTF-UHFFFAOYSA-N 402.491 3.483 0 40 HGAB COc1ccc(NC(=O)[C@@H]2C[C@@H]2c2cccnc2)cc1S(=O)(=O)N1CCCCC1 58134845 WGIJORUTGCISHH-QZTJIDSGSA-N 415.515 3.007 0 40 HGAB CC(C)[C@H](NS(=O)(=O)c1c(Cl)nc2ccccn12)c1ccc2c(c1)OCCO2 58370369 GNOXAKQJKMZQOU-KRWDZBQOSA-N 421.906 3.435 0 40 HGAB CC[C@H](C)C(=O)Nc1cccc(CNC(=O)c2ccccc2S(=O)(=O)CC)c1 59118699 GQWUDLPORGVFIO-HNNXBMFYSA-N 402.516 3.395 0 40 HGAB CN(CC(=O)NCCNc1ncc(C(F)(F)F)cc1Cl)c1ccc(Cl)cn1 71822631 ZGONYRYGLQDUAQ-UHFFFAOYSA-N 422.238 3.467 0 40 HGAB Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)N(CCC(C)C)CCC(C)C 72272667 HRCVLVNYJAMMAF-UHFFFAOYSA-N 401.555 3.298 0 40 HGAB Cc1cnn(-c2ccc(C(N)=O)cc2NS(=O)(=O)c2cccc(Cl)c2C)c1 95460455 IARFEGSVHPECTL-UHFFFAOYSA-N 404.879 3.042 0 40 HGAB COc1ccc(-c2[nH]nc(C)c2CC(=O)N2CCN(Cc3ccccc3)CC2)cc1 95477133 CORVWUWHYVHIHS-UHFFFAOYSA-N 404.514 3.281 0 40 HGAB CC(C)n1c2ccccc2c2c1cc(C(=O)NCc1ccccn1)n2S(C)(=O)=O 96146377 UOYFFXMQJVHZIP-UHFFFAOYSA-N 410.499 3.310 0 40 HGAB Cn1cc(NC(=O)c2cnc3c(cnn3Cc3ccccc3)c2)c(C(F)(F)F)n1 97229579 LDYKSCDMRZYFSJ-UHFFFAOYSA-N 400.364 3.484 0 40 HGAB CO[C@H]1CC[C@H](C(=O)N[C@H](Cc2cc(O)n3nc(C)cc3n2)c2ccccc2)CC1 100220783 ZHPMMBMVJDMATG-YZGWKJHDSA-N 408.502 3.349 0 40 HGAB C[C@@H](NS(=O)(=O)c1cc(C(=O)O)ccc1NC[C@H]1CCCO1)c1ccccc1 217479003 ZIHZJTRDIMVJNK-RHSMWYFYSA-N 404.488 3.015 0 40 HGAB CCOC(=O)c1ccc(NC(=O)[C@H](C)N(c2cccc(F)c2)S(C)(=O)=O)c(C)c1 220484821 AGYHATLUBORTMC-AWEZNQCLSA-N 422.478 3.104 0 40 HGAB COc1ccc(Cl)cc1NC(=O)COc1ccc(S(=O)(=O)NC2CC2)cc1C 223055826 LKGPCZIFPYPELP-UHFFFAOYSA-N 424.906 3.115 0 40 HGAB CCSc1nnc(NC(=O)CN(c2cc(Cl)ccc2C)S(C)(=O)=O)s1 224037360 FUQJLSXGIBHCBJ-UHFFFAOYSA-N 420.969 3.017 0 40 HGAB CCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)COc1ccc(OC)cc1 224847672 XGPYZWBYUMWDEI-MRXNPFEDSA-N 402.466 3.157 0 40 HGAB CC(=O)Nc1ccc(NC(=O)CCCN(c2ccccc2C)S(C)(=O)=O)cc1 225042965 GNYNSWGPRJQRNL-UHFFFAOYSA-N 403.504 3.138 0 40 HGAB Cn1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c1 225538904 NROADPWAPPWFMQ-LEWJYISDSA-N 405.527 3.421 0 40 HGAB O=C(CSc1ccc(F)cc1)NCCc1nc2c(c(C(F)(F)F)n1)COCC2 225580901 VYMBDDBCBMXFKD-UHFFFAOYSA-N 415.412 3.158 0 40 HGAB C[C@H]1CCCN(c2cc(N3CCCC3)nc(NC(=S)NCc3ccco3)n2)C1 225911293 KTOBCOLAALLOEB-HNNXBMFYSA-N 400.552 3.393 0 40 HGAB Cc1cccc(C)c1N(CN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C1=O)C(=O)C(F)(F)F 226400904 NAYGKMWJHAHOFD-ZBURPKILSA-N 418.415 3.209 0 40 HGAB Cc1nc([C@@H]2CCCN(C(=O)c3ccccn3)C2)nc(C)c1CC(=O)NC1CCCC1 257254121 KBRWBOVGJYPIKT-GOSISDBHSA-N 421.545 3.110 0 40 HGAB O=C(Nc1ccc(OC(F)(F)F)cc1)[C@@]12C[C@H]1CN(c1ccccc1)S2(=O)=O 260836421 PEHBJVKGFWOSRV-YVEFUNNKSA-N 412.389 3.132 0 40 HGAB c1coc(CN2CCN(CC3CC3)[C@@H](c3cn4c(N5CCOCC5)cccc4n3)C2)c1 306126299 DSARDBBWKHVSHG-JOCHJYFZSA-N 421.545 3.033 0 40 HGAB Cc1ccccc1C(=O)N1CCC2(CC1)CN(C)Cc1nnc(-c3ccc(F)cc3)n12 306135542 OUMIQVLLCPLEIO-UHFFFAOYSA-N 419.504 3.470 0 40 HGAB O=C(NC1CCCC1)c1nnc2n1CC1(CC2)CCN(Cc2ccc(F)cc2)CC1 306139451 SXOJYZXLZKOTQV-UHFFFAOYSA-N 411.525 3.318 0 40 HGAB CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)N(CC)CC)CC1 408557215 MDAXJTUIZWTPDS-UHFFFAOYSA-N 402.944 3.008 0 40 HGAB Cc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N3CCOCC3)c2)cc1Cl 408603508 KMXCBCSRAHPWTH-UHFFFAOYSA-N 408.907 3.230 0 40 HGAB O=C(COC(=O)[C@H]1CCC(=O)N1C(=O)OCc1ccccc1)c1ccc(Cl)cc1 408737901 PVVYGOQTPYCWTF-QGZVFWFLSA-N 415.829 3.394 0 40 HGAB Cc1ccc(NC(=O)NC[C@@H]2CCCN(C(=O)N[C@@H]3CCOC(C)(C)C3)C2)cc1 555144461 CBLGLRQNPMNBHF-PKOBYXMFSA-N 402.539 3.496 0 40 HGAB Cc1cccc(Nc2cc([C@H]3CCCN(C(=O)/C=C/c4ccnn4C)C3)nc(C)n2)n1 585291427 CUJLYHXFCRCVOR-BBVFFXRHSA-N 417.517 3.385 0 40 HGAB C[C@@H](NC(=O)c1ccc2c(c1)Cc1cccc(c1)CN(C)CCCCCO2)C(=O)O 643580552 WGVNJXCOYLBVHM-QGZVFWFLSA-N 410.514 3.475 0 40 HGAB CCOc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3c(C)cccc3CC)CC2=O)cc1 794296 SLTAYNAFLUZQGI-GOSISDBHSA-N 424.497 3.491 0 40 HGAB COc1ccc(C2=NN(C(=O)CCC(=O)O)[C@@H](c3ccccc3OC)C2)cc1OC 890334 YWGDYGFXVUVWIQ-QGZVFWFLSA-N 412.442 3.255 0 40 HGAB O=C(COC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccccc1 1470221 WGOLIDBMYZZVGK-UHFFFAOYSA-N 401.484 3.291 0 40 HGAB COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=C3S[C@@H](C)C(=O)N32)cc1OC 2253399 RDGYCALCPGBODJ-SJCJKPOMSA-N 404.488 3.304 0 40 HGAB Cc1nnc2sc(-c3ccccc3NC(=S)NC(=O)c3ccccc3F)nn12 2340775 YUNPRMMSULSQEY-UHFFFAOYSA-N 412.475 3.427 0 40 HGAB COc1ccc(-c2nnc(SCC(=O)Nc3ccc(OC)c(OC)c3)n2C)cc1 2443479 FXNCPFNHUBJUSF-UHFFFAOYSA-N 414.487 3.239 0 40 HGAB Cc1cc(C)c(C(=O)COC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1C 3360036 AQPYWOOFEXTBOS-UHFFFAOYSA-N 415.511 3.436 0 40 HGAB O=C(COC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)Nc1ccc(Cl)cc1F 3369058 RVBWWQGFUCGILO-CQSZACIVSA-N 404.825 3.010 0 40 HGAB Cc1noc(C)c1COc1cccc(C(=O)OCC(=O)Nc2ccc3c(c2)OCO3)c1 3470230 VFNSILMDXMZQSI-UHFFFAOYSA-N 424.409 3.395 0 40 HGAB COC[C@H](C)n1c(C)cc(C(=O)CN2C(=O)N[C@@]3(CCCc4ccccc43)C2=O)c1C 4284969 PURAEWFJMDHDTD-UPCLLVRISA-N 423.513 3.279 0 40 HGAB C[C@H](OC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1ccccc1F 4327721 PNRKUTNNRGSUOR-QRYOHXEKSA-N 402.466 3.029 0 40 HGAB CCOc1ccc(-n2c(=O)[nH]c3c(C(N)=O)nc(-c4ccc(C(C)C)cc4)nc32)cc1 4518741 CKIXSZWJIVTOIM-UHFFFAOYSA-N 417.469 3.397 0 40 HGAB CCOC(=O)C1=C(c2ccccc2)Nc2ncnn2[C@H]1c1ccc(C(=O)OC)cc1 4700279 KRHTUHLNWBKXOC-IBGZPJMESA-N 404.426 3.054 0 40 HGAB Cc1ccc(NC(=O)Cc2ccc(Br)cc2)cc1S(=O)(=O)N(C)C 4965667 OGEWKLUWNMMZPY-UHFFFAOYSA-N 411.321 3.189 0 40 HGAB COc1ccc(N2C[C@H](NC(=O)N[C@@H]3C[C@@H](C)CC(C)(C)C3)CC2=O)cc1OC 5202062 PNWPXDZIPMVZMY-BZUAXINKSA-N 403.523 3.323 0 40 HGAB CC(C)(C)c1cc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2N)on1 5281919 NXYFMGDQTGLNFE-UHFFFAOYSA-N 406.899 3.329 0 40 HGAB O=C(Nc1ccccc1Br)c1cccc(S(=O)(=O)N2CCCC2)c1 5558233 BNANKOLMQQYLTB-UHFFFAOYSA-N 409.305 3.486 0 40 HGAB CSCC[C@@H](NC(=O)c1ccccc1C)C(=O)N1CCN(c2ccccc2)CC1 5931207 NYIAZHRLNQBRGS-OAQYLSRUSA-N 411.571 3.195 0 40 HGAB C[C@H](CCc1ccccc1)NC(=O)Cn1cnc2ccc(Br)cc2c1=O 6112237 PKSMBTYRQAEEOM-CQSZACIVSA-N 414.303 3.297 0 40 HGAB Cn1nnnc1SCC(=O)Nc1sc2c(c1C(=O)c1ccccc1)CCCC2 6510117 QXBPHFJMRNTALP-UHFFFAOYSA-N 413.528 3.112 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)/C=C/c2cccc(OC)c2OC)cc1 6560910 QANVEPBTRWJSIX-XNTDXEJSSA-N 418.515 3.386 0 40 HGAB CCCC[C@@H](C(=O)O)N1C(=O)/C(=C\c2cc(OC)c(O)c(OC)c2)SC1=S 6635781 AVOXSUIGDGAQLV-LUHPIMIVSA-N 411.501 3.254 0 40 HGAB COc1ccc(COC(=O)CN2C(=O)N[C@@]3(C[C@H](C)CC(C)(C)C3)C2=O)cc1F 6944561 UCCSWXOJTGTGHX-LRTDBIEQSA-N 406.454 3.014 0 40 HGAB COc1ccccc1-n1c(S[C@@H](C)C(=O)NC(C)C)nnc1N1CCCCC1 6994223 OLHNSNANEURIEP-HNNXBMFYSA-N 403.552 3.271 0 40 HGAB CC(=O)c1cc(Cl)ccc1OCc1cccc(S(=O)(=O)N2CCOCC2)c1 7427422 FGOJDWYFDVPHCF-UHFFFAOYSA-N 409.891 3.143 0 40 HGAB Cc1ccccc1OCc1n[nH]c(SCC(=O)N2CCC(c3ccccc3)=N2)n1 7537462 DBBRMAKAXSUYMC-UHFFFAOYSA-N 407.499 3.421 0 40 HGAB COc1ccc(CN(C)C(=O)CN(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1 7871814 NVMAADQVRSCWKT-UHFFFAOYSA-N 410.923 3.082 0 40 HGAB COc1ccc(N(Cc2cccs2)C(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1 8133297 GTLFAEGYZZWFBG-UHFFFAOYSA-N 413.499 3.155 0 40 HGAB COCCNC(=O)CSc1ccccc1C(=O)Nc1cc(Cl)ccc1OC 9113173 XIMNUDTUBLFUEZ-UHFFFAOYSA-N 408.907 3.456 0 40 HGAB COc1ccc(N([C@H](C)C(=O)Nc2ccc(F)cc2)S(C)(=O)=O)cc1Cl 10313956 IRDHUWBGDVUIHV-LLVKDONJSA-N 400.859 3.281 0 40 HGAB CC(=O)Nc1cccc(NC(=O)[C@H](C)N(c2cc(Cl)ccc2C)S(C)(=O)=O)c1 10360083 OSZJBVPECPYATK-ZDUSSCGKSA-N 423.922 3.400 0 40 HGAB COc1ccc(CNC(=O)C[C@H]2CCCCN2S(=O)(=O)c2ccc(F)cc2)cc1 11612856 IJRWYWTUKICWQD-GOSISDBHSA-N 420.506 3.084 0 40 HGAB CC(=O)Nc1ccc(NC(=O)c2ccc(N3CCCCS3(=O)=O)cc2Cl)cc1 11999215 FZCLKWQOVCNTQX-UHFFFAOYSA-N 421.906 3.481 0 40 HGAB COc1ccc(N2C[C@@H](C(=O)NCCc3ccc(Cl)cc3)CC2=O)c(OC)c1 12607905 IATDTVOWSUHETG-HNNXBMFYSA-N 402.878 3.069 0 40 HGAB Cc1ccc(NC(=O)CCNC(=O)c2ccsc2)cc1I 12779671 XERCAXLBLUGXFR-UHFFFAOYSA-N 414.268 3.420 0 40 HGAB CCOc1ccccc1O[C@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 12931805 RWZYZOXVHVBPMB-MRXNPFEDSA-N 418.515 3.276 0 40 HGAB O=C(CN1C(=O)COc2ccccc21)Nc1ncc(Cc2cc(F)cc(F)c2)s1 12945227 ZFRJHCJAZQUQAF-UHFFFAOYSA-N 415.421 3.376 0 40 HGAB COc1ccc(CN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)C2CC2)cc1 12994983 KSPDYGMYCIFJBU-UHFFFAOYSA-N 422.934 3.404 0 40 HGAB COc1cccc(C(=O)NCCOc2ccc3nnc(-c4ccccc4Cl)n3n2)c1 13526366 MDRKXSDWNWGFMC-UHFFFAOYSA-N 423.860 3.262 0 40 HGAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2cccc(SC)c2)cc1 13633338 LCSUIOTXBPYLON-UHFFFAOYSA-N 408.545 3.457 0 40 HGAB COc1ccccc1NC(=O)COc1ccc(S(=O)(=O)N2CCCCCC2)cc1 13847137 FNCKLIVFLYWODY-UHFFFAOYSA-N 418.515 3.277 0 40 HGAB C[C@H](CCc1ccccc1)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 14184418 GKDXOOWSXUCWBY-MJGOQNOKSA-N 418.534 3.364 0 40 HGAB CC(=O)Nc1cc(NC(C)=O)cc(C(=O)NC[C@@H](c2ccco2)N2CCCCC2)c1 14251611 GLSHLLXTYQLMAN-FQEVSTJZSA-N 412.490 3.153 0 40 HGAB COc1ccc(CNC(=O)[C@@H](C)N(C)CCOc2ccc(Br)cc2)cc1 16695572 KKOSVZBLXXIJNY-OAHLLOKOSA-N 421.335 3.473 0 40 HGAB COCCn1c(SCC(=O)NC2CCCCC2)nc2c([nH]c3ccccc32)c1=O 16942775 YXRUZLQAIYKUHM-UHFFFAOYSA-N 414.531 3.065 0 40 HGAB CC(C)C(=O)N1CCCC[C@@H]1c1nc(O)c2c(n1)CCN(C(=O)c1cccs1)C2 19085689 PCNPBXOWSQKIKU-MRXNPFEDSA-N 414.531 3.152 0 40 HGAB CCC(C)(C)n1nnnc1[C@@H](c1ccc(OC)cc1)N1CCN(C2CCCC2)CC1 19499689 YRTKSNLGIYOOAR-OAQYLSRUSA-N 412.582 3.476 0 40 HGAB CCOc1cc(CN2CCC[C@@H](c3cc(=O)[nH]c(-c4cnccn4)n3)C2)ccc1OC 19531982 LJPZQEYPAQGSSU-QGZVFWFLSA-N 421.501 3.014 0 40 HGAB C[C@H](NC(=O)c1ccc2c(c1)OCO2)c1nc2cc(-c3ccc(F)cc3)ncn2n1 19574337 CZIDTDMQNSTBCQ-LBPRGKRZSA-N 405.389 3.150 0 40 HGAB Cc1ncc(C(=O)N2CCC[C@H](N(C)C(=O)c3nccc4ccccc34)CC2)c(C)n1 19749865 AXNZYXILQXZFCG-IBGZPJMESA-N 417.513 3.409 0 40 HGAB COc1ccccc1NC(=O)c1cnc([C@H]2CCCCN2C(=O)c2cc[nH]n2)nc1C 19753478 UUHLVCFIGFPUSA-GOSISDBHSA-N 420.473 3.136 0 40 HGAB COC(=O)c1cc(NC(=O)CSc2ccc(OC)c(OC)c2)cc(C(=O)OC)c1 19931573 NUONRQQLIYRMFX-UHFFFAOYSA-N 419.455 3.008 0 40 HGAB Cc1ccc(-c2cc(C(=O)N(Cc3ccco3)[C@H]3CCS(=O)(=O)C3)no2)cc1C 21524246 SDPKMXZVYMZGKJ-KRWDZBQOSA-N 414.483 3.381 0 40 HGAB O=C1CCCN1c1ccc(S(=O)(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1 22226633 VQRFZNBQFAANLF-UHFFFAOYSA-N 424.526 3.258 0 40 HGAB C[C@@H](c1nnc(-c2ccccc2)o1)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 22934913 GDMSINMLFPBTPK-INIZCTEOSA-N 409.465 3.193 0 40 HGAB O=S(=O)(NCc1ccccc1CN1CCOCC1)c1cccc(C(F)(F)F)c1 24148724 OQGGMXLORUZMCF-UHFFFAOYSA-N 414.449 3.016 0 40 HGAB CC(=O)Nc1cc(NC(C)=O)cc(C(=O)O[C@@H](C)C(=O)Nc2cc(C)ccc2C)c1 27909263 RRVNRXLJTABNJU-AWEZNQCLSA-N 411.458 3.404 0 40 HGAB CC(C)CN1C[C@@H](C(=O)N[C@@H](Cc2ccccc2)c2nc3ccccc3[nH]2)CC1=O 29823104 WVGFFIMHIJYJTK-RXVVDRJESA-N 404.514 3.467 0 40 HGAB CCOC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2cc(Cl)c[nH]2)CC1 32850859 WKPMYTSVPVSZIM-KRWDZBQOSA-N 410.301 3.384 0 40 HGAB COc1cccc(CNC(=O)c2nsc(C(=O)NC3CCCCCC3)c2N)c1 33171925 AUTRFSCBRYGBGA-UHFFFAOYSA-N 402.520 3.117 0 40 HGAB CCOC(=O)CNC1(c2nnnn2-c2c(C)cccc2C)C2CC3CC(C2)CC1C3 35170776 XIEBZZPRCYKBPG-UHFFFAOYSA-N 409.534 3.083 0 40 HGAB Cc1c(NC(=O)CCC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)c(=O)n(-c2ccccc2)n1C 36167320 NQLWYQQUXBEHIJ-TXPKVOOTSA-N 412.534 3.144 0 40 HGAB CC(=O)Nc1ccc(C(=O)Cn2cnc3ccc(Br)cc3c2=O)cc1 36354275 CBBYSUKILOBZSC-UHFFFAOYSA-N 400.232 3.000 0 40 HGAB COc1ccccc1CCNC(=O)c1ccc(Cn2cnc3ccccc3c2=O)cc1 36356840 FXMYDFGSFDKFKC-UHFFFAOYSA-N 413.477 3.426 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)N[C@@H](C)c1ccc(F)cc1 38755403 VUOQMPWEVKCBBP-HNNXBMFYSA-N 420.506 3.500 0 40 HGAB C[C@@]1(c2cccc(C(F)(F)F)c2)NC(=O)N(CC(=O)NCCC2=CCCCC2)C1=O 40116807 HUGWSRPKVYACAH-FQEVSTJZSA-N 423.435 3.479 0 40 HGAB Cc1cc(CSc2ncccc2C(=O)N2CCC[C@@H](C(=O)NCC(C)C)C2)no1 40121292 OKGKGKGOOALNJB-MRXNPFEDSA-N 416.547 3.295 0 40 HGAB COCc1nnc(NC(=O)c2cnn(-c3cc(F)cc(F)c3)c2-n2cccc2)s1 49549389 MPMPOCLTAZKSAU-UHFFFAOYSA-N 416.413 3.191 0 40 HGAB O=C(Nc1cnn(Cc2ccccc2)c1)[C@@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 58158309 JVEDLRDXXMWGEI-HXUWFJFHSA-N 400.482 3.412 0 40 HGAB CN1CCCN(c2ccc(CNC(=O)c3occc3COc3ccccc3)cn2)CC1 58194910 AORMWXWZWDWJFL-UHFFFAOYSA-N 420.513 3.326 0 40 HGAB COCOc1ccc(-c2oc3cc(OCOC)cc(O)c3c(=O)c2OCOC)cc1 65743106 WBJTZHMJMFNAGE-UHFFFAOYSA-N 418.398 3.114 0 40 HGAB in-vitro CC[C@H](C)n1c(SCC(=O)NCc2ccc(OC)cc2)nc2cc(C)[nH]c2c1=O 67239064 OQYZQUBEPPTXCZ-AWEZNQCLSA-N 414.531 3.421 0 40 HGAB Cc1nn([C@H]2CCS(=O)(=O)C2)c2c1[C@@H](c1cccc(OC(C)C)c1)CC(O)=N2 71281718 QPLFKMISAPXYEK-DOTOQJQBSA-N 403.504 3.462 0 40 HGAB CC(C)CN1Cc2cccc(C(=O)N[C@@H](C)Cn3c(=O)oc4ccccc43)c2C1=O 72324337 OIFNDEOIUOOUII-HNNXBMFYSA-N 407.470 3.025 0 40 HGAB CCC(=O)N[C@H]1CN(Cc2cn(CC)nc2C)C[C@@H]1c1cn(C)c2ccc(OC)cc12 72395726 PELCWEGBVLFDCP-YADHBBJMSA-N 423.561 3.206 0 40 HGAB O=C(N[C@@H](c1ccc(Br)cc1)C1CCC1)c1cnc2n(c1=O)CCS2 84392687 SRTARRGFRRGARZ-OAHLLOKOSA-N 420.332 3.383 0 40 HGAB CC(C)(C)[C@H](NC(=O)COc1ccc2ccccc2c1)c1nc(-c2nc[nH]n2)no1 89642944 JRANUQWDMBRZIX-QGZVFWFLSA-N 406.446 3.290 0 40 HGAB C[C@H]1Oc2ccccc2O[C@H]1C(=O)N1CCC(Oc2cnc3ccccc3n2)CC1 90678523 BJKMMFXMNPFVGF-IVZQSRNASA-N 405.454 3.228 0 40 HGAB CC[C@](NC(=O)Cn1c(COc2ccccc2)nc2ccccc21)(C(N)=O)C(C)C 96005957 AFBQUUXSKLBXJQ-HSZRJFAPSA-N 408.502 3.022 0 40 HGAB CCCNC(=O)c1ccc2c(c1)[C@@H](c1ncn(C(C)C)n1)CN2C(=O)c1ccccn1 96156414 JDXKNLPNXZOMMQ-SFHVURJKSA-N 418.501 3.186 0 40 HGAB O=S(=O)(NCC[C@@H](CCO)c1ccccc1)c1ccc(OC(F)(F)F)cc1 206628005 HTLPVVKUVFOLCP-HNNXBMFYSA-N 403.422 3.420 0 40 HGAB CC[C@@H](C(=O)NCCSCc1ccccc1F)N(c1ccccc1)S(C)(=O)=O 219081586 ZSNQJYPTLPCNHD-IBGZPJMESA-N 424.563 3.420 0 40 HGAB O=C(NCCc1ccccc1)[C@@H]1CN(C(=O)COc2ccccc2)c2ccccc2O1 222951257 XKDJJYXNXJESES-QHCPKHFHSA-N 416.477 3.219 0 40 HGAB S=C1N[C@H](c2ccccn2)[C@H](c2cccn2-c2ccccn2)N1C[C@@H]1CCCO1 223295701 NGKHULDQHTYIKC-DQLDELGASA-N 405.527 3.419 0 40 HGAB CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NC12CC3CC(CC(C3)C1)C2 224444495 AJJUDQGDNUKXRQ-ILYDUKKLSA-N 420.575 3.325 0 40 HGAB Cc1cccc(N(CCCC(=O)NCCOCc2ccccc2)S(C)(=O)=O)c1C 224743430 UDWZPZHIFRKTEG-UHFFFAOYSA-N 418.559 3.183 0 40 HGAB CCC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc(Cl)c(C(=O)OC)c3)ccc21 225286076 CGIJBLZGMDZKEL-UHFFFAOYSA-N 422.890 3.227 0 40 HGAB O=C(c1cc(-c2cccs2)n[nH]1)N1CC(n2cc(COc3ccccc3)nn2)C1 238867193 MBAAEBRZNFOUHI-UHFFFAOYSA-N 406.471 3.006 0 40 HGAB O=S(=O)(NC[C@@H]1CC2(CCN(Cc3cccc4ccccc34)CC2)O1)C1CC1 247295332 CKKSZVPVYZIHJO-IBGZPJMESA-N 400.544 3.045 0 40 HGAB COc1cc2c(cc1OC)CC(=O)N(CC(=O)N1CCCC[C@@H]1c1cccnc1)C=C2 247965729 SARJRQGFVLGOCU-HXUWFJFHSA-N 421.497 3.208 0 40 HGAB COc1cccc(N([C@@H](C)C(=O)N[C@H]2CCCc3ccccc32)S(C)(=O)=O)c1 260588080 FVCMKGJRQPDVES-YWZLYKJASA-N 402.516 3.044 0 40 HGAB CN([C@H](C(=O)Nc1ccccc1C(=O)c1ccccc1)c1ccccc1)S(C)(=O)=O 260839081 HSOAWXYPZFIOHS-NRFANRHFSA-N 422.506 3.489 0 40 HGAB COc1cccc2c1[C@H]1[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3[C@H]2N1C(=O)C(C)(C)C 261828229 HUGYJIJSUVBLPZ-MUGJNUQGSA-N 404.466 3.485 0 40 HGAB Cc1ccnc(C(=O)N2CCC3(CC2)c2ccccc2N(CC2CC2)S3(=O)=O)c1 306128453 HAVGTMMZFAPKEZ-UHFFFAOYSA-N 411.527 3.081 0 40 HGAB Cc1ccc(CNC(=O)[C@H]2CN(C)CC3(CCN(Cc4cccs4)CC3)O2)cc1 306140635 UZHXBMZSLKDDBM-OAQYLSRUSA-N 413.587 3.038 0 40 HGAB Cc1ccc(-c2ccc3c([C@H]4CN(C(=O)c5cccn5C)CCN4C)nnn3c2)cc1 306142725 XHMTUUZITILUST-JOCHJYFZSA-N 414.513 3.172 0 40 HGAB Cc1nn(-c2ccccc2F)c(C)c1[C@@H]1COCCN1C(=O)NCC1=CCCOC1 513193905 JJLJGSKHUZFWHO-FQEVSTJZSA-N 414.481 3.058 0 40 HGAB O=C(NC[C@@H](CO)Cc1ccccc1)c1cnn(-c2ccccc2)c1C(F)(F)F 522925737 GDCVYUATIVCOSH-INIZCTEOSA-N 403.404 3.472 0 40 HGAB COc1ccc(Br)cc1S(=O)(=O)N1CC2(CCOCC2)[C@@H]1C1CC1 549931311 AIBPLWNUJZLQMU-INIZCTEOSA-N 416.337 3.037 0 40 HGAB Cn1cnc([C@H]2C[C@@]3(CCCN(CC4CC4)C3=O)CN2C(=O)Cc2cccc(F)c2)c1 585106394 AAJJVECZAFGUIZ-QPPBQGQZSA-N 424.520 3.094 0 40 HGAB Cc1sc2nc(CSc3nnc4c(=O)[nH]c5ccccc5n34)nc(O)c2c1C 612858568 NESADPGHTPFKLZ-UHFFFAOYSA-N 410.484 3.190 0 40 HGAB CC(C)C[C@@H]1NC(=O)C2(CCCCCOC[C@@H](C)NC1=O)CCN(CC1CC1)CC2 643581420 AKXXRILAMNUMSJ-CTNGQTDRSA-N 421.626 3.105 0 40 HGAB FC(F)(F)c1nnc2ccc(N3CCC(N4CCc5sccc5C4)CC3)nn12 1776001015 UTVDLMIKNBSHKK-UHFFFAOYSA-N 408.453 3.232 0 40 HGAB Cc1cc(N2C[C@@H]3CN(c4ccc(C(F)(F)F)cn4)C[C@H]3C2)n2nc(C)cc2n1 1888888405 SJECZEXACLGQSN-GJZGRUSLSA-N 402.424 3.333 0 40 HGAB CS(=O)(=O)c1ccc(CCC(=O)NC[C@H](O)c2ccc(-c3ccco3)s2)cc1 1888972901 LGZNZNSJENWRCZ-INIZCTEOSA-N 419.524 3.194 0 40 HGAB CN(CC1CCN(c2nc3ccccc3c(=O)n2C)CC1)c1ncnc(C2CC2)c1F 2087056946 UHKXNGXGBZXEAB-UHFFFAOYSA-N 422.508 3.093 0 40 HGAB COc1ccc([C@@H]2C=C(c3ccccc3)Nc3nc(NC(=O)CCC(=O)O)nn32)cc1 2256909 LCNZAUCAPFHYBC-SFHVURJKSA-N 419.441 3.146 0 40 HGAB CCn1ncc(NC(=O)c2cc(S(=O)(=O)N(C)C)c(Cl)cc2Cl)c1C 2794426 WYKAWLFCTBMIBL-UHFFFAOYSA-N 405.307 3.021 0 40 HGAB O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccc(OC(F)F)cc1 3480312 VPMQWHJESLXVBF-UHFFFAOYSA-N 420.397 3.131 0 40 HGAB O=C(COC(=O)c1ccc(N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@@H]3C2=O)cc1)c1ccccc1 4157409 CPXQAYGTKQBKRT-JWWGGVBKSA-N 403.434 3.262 0 40 HGAB COc1cc2c(cc1OC)[C@H](C)N(C(=O)N[C@H]1CC(=O)N(c3ccccc3)C1)CC2 4359951 QRSYOBGMQPEMBF-RDJZCZTQSA-N 409.486 3.138 0 40 HGAB CC[C@H](CO)NS(=O)(=O)c1cc(-c2nnc(Cl)c3ccccc23)ccc1C 4499433 JYWATKNJYSEZDI-CQSZACIVSA-N 405.907 3.308 0 40 HGAB Cc1nc2sc(NC(=S)SCC(=O)c3ccccc3)nn2c(=O)c1Cl 4600076 NCMXZWYRYLVBGD-UHFFFAOYSA-N 410.933 3.426 0 40 HGAB COc1ccc(C2=Nn3c(nnc3-c3ccc(OC)c(OC)c3)SC2)cc1OC 5047260 MRORVGVWPLDEFD-UHFFFAOYSA-N 412.471 3.338 0 40 HGAB CC(C)(C)C(=O)[C@H]1[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2[C@@H]2c3ccccc3C=NN12 5053920 HKQYLAYSKYCYSL-FUMNGEBKSA-N 401.466 3.180 0 40 HGAB Cc1ccc(CNC(=O)C(=O)NC[C@@H](c2ccco2)N2CCc3ccccc32)cc1 5152783 QZEBPSPBMVIKIM-NRFANRHFSA-N 403.482 3.124 0 40 HGAB CCOC(=O)c1cnc(SCC(=O)Nc2cc(Cl)cc(Cl)c2)nc1N 5969555 JLYBURCBVZADBI-UHFFFAOYSA-N 401.275 3.273 0 40 HGAB O=C(C[C@H]1c2ccccc2CCN1S(=O)(=O)c1ccccc1)Nc1cccnc1 6244641 AOTGUQFEJGGYSO-NRFANRHFSA-N 407.495 3.399 0 40 HGAB COc1ccc(OCc2nnc(SCC(=O)Nc3cccc(OC)c3)n2C)cc1 6479968 HFNGTZJVJCDPMF-UHFFFAOYSA-N 414.487 3.142 0 40 HGAB Cc1ccc(C(=O)OCCCNC(=O)COc2cc(C)cc3oc(=O)cc(C)c23)cc1 6757387 JCKNTHKZEMTADD-UHFFFAOYSA-N 423.465 3.460 0 40 HGAB COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)N1CCC(Cc2ccccc2)CC1 7458638 LDQAVHOMUOXKQO-UHFFFAOYSA-N 421.472 3.475 0 40 HGAB Cc1ccccc1N(CC(=O)NCc1ccc(Cl)cc1Cl)S(C)(=O)=O 7525441 KJGDHXLKBWOQTL-UHFFFAOYSA-N 401.315 3.384 0 40 HGAB CCOc1cc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCOC)ccc1O 8254277 CUUXFJSNMYQYKI-FQEVSTJZSA-N 409.438 3.397 0 40 HGAB Cc1cccc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)c1C 8423234 PHDRKZJCCSKNTG-UHFFFAOYSA-N 412.555 3.329 0 40 HGAB CCOc1cc(S(=O)(=O)Nc2cccc(C(=O)O)c2)ccc1Br 8715823 GIBPMOZTRVANCF-UHFFFAOYSA-N 400.250 3.347 0 40 HGAB COc1ccc(NC(=S)NC(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)cc1 8783588 VUGRMQHRMVCMQQ-BJMVGYQFSA-N 402.472 3.247 0 40 HGAB biogenic,in-vitro O=C(Cn1nc(-c2cccs2)c2ccccc2c1=O)NCc1ccc2c(c1)OCO2 10027273 HWANXEYBBJGEKP-UHFFFAOYSA-N 419.462 3.170 0 40 HGAB COc1ccc(Cc2nnc3sc(-c4ccc(OC)c(OC)c4)nn23)cc1OC 10311771 OIRVOWUSXFDGEU-UHFFFAOYSA-N 412.471 3.478 0 40 HGAB COc1ccc(N([C@H](C)C(=O)Nc2ccccc2F)S(C)(=O)=O)cc1Cl 10313915 UFTRDTCDOPLTIE-LLVKDONJSA-N 400.859 3.281 0 40 HGAB CCN(CC)C(=O)c1ccccc1NC(=O)c1ccc(C)c(NS(C)(=O)=O)c1 10314735 PKIYJJUROASNNT-UHFFFAOYSA-N 403.504 3.101 0 40 HGAB O=C(CCS(=O)(=O)Cc1ccccc1)Nc1nnc(-c2ccccc2Cl)o1 10620780 YVTCJMGZQZANCO-UHFFFAOYSA-N 405.863 3.334 0 40 HGAB C[C@@H](NC(=O)c1ccco1)C(=O)Nc1nc2c(s1)CN(Cc1ccccc1)CC2 11763223 UIKDYYZTICVBND-CQSZACIVSA-N 410.499 3.051 0 40 HGAB COc1cc(OC)cc(C(=O)N[C@H](C(=O)N2CCc3sccc3C2)C(C)C)c1 12215579 BQKIHMSDXDMLPF-IBGZPJMESA-N 402.516 3.105 0 40 HGAB CCOc1cc(-c2nc3n(c2NCc2ccc4c(c2)OCO4)CCNC3)ccc1O 12221252 DJLYVEGJBMQEPG-UHFFFAOYSA-N 408.458 3.098 0 40 HGAB CC[C@H]1Oc2ccc(C(=O)c3cccs3)cc2N(CC(=O)NC(C)(C)C)C1=O 12242011 XVKINGYTHVECGE-OAHLLOKOSA-N 400.500 3.398 0 40 HGAB O=C(Cn1c(=O)nc(-c2ccccc2)c2ccccc21)Nc1ccc2c(c1)OCCO2 12414505 ZRIVMZFETZOSEO-UHFFFAOYSA-N 413.433 3.473 0 40 HGAB O=C(NCc1ccc(Cn2cccn2)cc1)c1cccc(I)c1 12878465 AKKOVDOXODYOQS-UHFFFAOYSA-N 417.250 3.466 0 40 HGAB CCNS(=O)(=O)c1ccc(C)c(C(=O)NCCCO[C@H](C)c2ccccc2)c1 12910396 DYIZNDZLTRMTMO-QGZVFWFLSA-N 404.532 3.191 0 40 HGAB COc1cc2c(cc1OC)CN(C(=O)[C@@H]1CC(=O)N(c3ccc(C)c(F)c3)C1)CC2 12936673 IZKSZLSJJXUOCL-QGZVFWFLSA-N 412.461 3.089 0 40 HGAB Cc1nc2nc(N)nn2c(C)c1CCC(=O)N(C)Cc1cccc(Cl)c1Cl 12942576 OKQSYNSYCBZJIB-UHFFFAOYSA-N 407.305 3.221 0 40 HGAB O=C(COc1ccc(S(=O)(=O)N2CCCCCC2)cc1)Nc1ccccc1F 13847130 IMBSHEPJLOHLAW-UHFFFAOYSA-N 406.479 3.408 0 40 HGAB Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)OCc2coc(-c3cccs3)n2)cc1 14771899 QIPYHMHOHQYVTR-ZDUSSCGKSA-N 406.485 3.122 0 40 HGAB CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc(F)c(F)c2F)ccc1OC 15002330 AVCOQLXBLZMJFQ-UHFFFAOYSA-N 416.421 3.395 0 40 HGAB Cc1nc2ccccc2n1CCNC(=O)COc1ccc(Br)cc1F 15135986 QTLNERROSPFDNX-UHFFFAOYSA-N 406.255 3.442 0 40 HGAB COc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)Nc1ccccc1Cl 16188436 VQRISAMBFXLRIH-UHFFFAOYSA-N 403.287 3.261 0 40 HGAB COC(=O)c1ccc(C)c(NC(=O)[C@@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)c1 16347329 JIVAIBXEKMJXDR-CYBMUJFWSA-N 424.906 3.228 0 40 HGAB CS(=O)(=O)N1CCCc2cc(C(=O)OCc3nc4ccccc4s3)ccc21 16673579 HBKPXSZLJNPWAJ-UHFFFAOYSA-N 402.497 3.366 0 40 HGAB COc1ccc(/C=C/c2nc3s/c(=C\c4cccc(F)c4)c(=O)n3n2)cc1OC 16742148 FPRRNSLRJHIZBB-FHZYVREQSA-N 409.442 3.025 0 40 HGAB COc1ccc(CN2CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1 17082535 CBAJEBCVLNSZPC-UHFFFAOYSA-N 402.560 3.499 0 40 HGAB C[C@H]1CN(C(=O)c2ccc(NS(=O)(=O)/C=C/c3ccccc3)cc2)C[C@@H](C)O1 17327937 PMSQVIUYSJFYBX-JZDNNTCESA-N 400.500 3.349 0 40 HGAB Cc1noc2nc([C@@H]3CCCN(C(=O)[C@@H](C)N4CCCC4=O)C3)cc(C(F)(F)F)c12 19563734 XNKLMBMGBSVXPZ-CHWSQXEVSA-N 424.423 3.267 0 40 HGAB CCOc1ccc([C@H]2CCCN2C(=O)c2cc(S(=O)(=O)NC)ccc2F)cc1 19659623 HDLBIXBCGWGHEB-LJQANCHMSA-N 406.479 3.110 0 40 HGAB CCCCCNC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1cc(C)ccc1OC 20007276 OFYMANKYWRMFRT-LJQANCHMSA-N 418.559 3.200 0 40 HGAB C[C@@H](NC(=O)c1ccc(NC(=O)c2ccco2)s1)c1ccc(S(C)(=O)=O)cc1 23700538 IVUDOFKTDLYDMD-GFCCVEGCSA-N 418.496 3.488 0 40 HGAB Cc1sc2nc(S[C@@H](C)C(=O)Nc3ccc(C(N)=O)cc3)nc(N)c2c1C 24774001 VURWLCHFNFETTF-JTQLQIEISA-N 401.517 3.109 0 40 HGAB O=C(Cn1cccc(C(F)(F)F)c1=O)NC1(c2ccc3c(c2)OCCO3)CCCC1 27064652 AZBOXZXHWDBHQW-UHFFFAOYSA-N 422.403 3.224 0 40 HGAB COc1ccccc1CN1C[C@@H](C(=O)Nc2nnc(Cc3ccccc3)s2)CC1=O 31812542 PWWFIEBOBPDTBQ-KRWDZBQOSA-N 422.510 3.125 0 40 HGAB COc1ccc2cnn(CC(=O)Nc3cccc(Cl)c3Cl)c(=O)c2c1OC 32095025 XGKKOPLLFDVBSE-UHFFFAOYSA-N 408.241 3.359 0 40 HGAB CCOC(=O)C1=C(COC(=O)c2cc3ccccc3[nH]2)NC(=O)N[C@@H]1c1ccc(C)o1 32754858 BEHZFBQUWCKEPJ-LJQANCHMSA-N 423.425 3.097 0 40 HGAB O=C(NCc1ccc(Cn2ccnc2)cc1)[C@H]1CCCCN1C(=O)c1cccs1 32908429 FRMHGJUHXHNFCR-LJQANCHMSA-N 408.527 3.304 0 40 HGAB CC[C@H](C)NC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1cc(C)ccc1OC 33622958 UHKXNVYWNFKHJZ-INIZCTEOSA-N 420.531 3.122 0 40 HGAB COc1ccc(CN(C)C(=O)c2nn(C)c3c2Cc2cc(OC)c(OC)cc2-3)cc1 36358216 FHFCTEHWLNGQFL-UHFFFAOYSA-N 407.470 3.289 0 40 HGAB O=C(Nc1cc(Cl)ccc1N1CCOCC1)N1CCN(c2ccccc2O)CC1 40103444 NABXKKRASCTYDC-UHFFFAOYSA-N 416.909 3.236 0 40 HGAB CC(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(CC(=O)N3CCCC3)cc2)cc1 40133560 NZQIPQNVVAFWBV-UHFFFAOYSA-N 414.527 3.286 0 40 HGAB COCCOc1ccc(S(=O)(=O)Nc2ccc(-c3nc(C)no3)cc2C)cc1 40152615 QMNWBBYWEUUYEF-UHFFFAOYSA-N 403.460 3.179 0 40 HGAB COc1ccccc1C(=O)Nc1c(F)c(C(=O)Nc2ccc(F)cc2F)nn1C 41070600 XSPVTTPVTHXCRN-UHFFFAOYSA-N 404.348 3.351 0 40 HGAB C[C@@H]1C[C@@H](C)CN(Cc2ccc(CNC(=O)c3ccc(S(C)(=O)=O)cc3)cc2)C1 48310883 DWGDDUAHLDNZPL-QZTJIDSGSA-N 414.571 3.498 0 40 HGAB CCN(C(=O)Cn1c(C)nc2c(c1=O)CN(Cc1ccccc1)CC2)c1ccccc1 49400764 YPRKANCQUMAHOJ-UHFFFAOYSA-N 416.525 3.163 0 40 HGAB CSc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)cc1 52410918 IIRGHPWQKCTZCU-AWEZNQCLSA-N 406.529 3.118 0 40 HGAB COc1cccc(-n2ccn3c(SCC(=O)c4ccc(C)cc4)nnc3c2=O)c1 64593623 IWUWRIODPMJYHW-UHFFFAOYSA-N 406.467 3.172 0 40 HGAB Cc1nn([C@H]2CCS(=O)(=O)C2)c2c1[C@@H](c1cccc(OC(F)F)c1)CC(O)=N2 71280300 SZCAGBNIKIEPSJ-GXTWGEPZSA-N 411.430 3.276 0 40 HGAB COc1ccc(CN(Cc2ccccc2)C(=O)Cc2ccc(-n3cnnn3)cc2)cc1 72277341 CPTNIRQPSXMEBJ-UHFFFAOYSA-N 413.481 3.442 0 40 HGAB Cc1cc(C)n([C@@H](C)CC(=O)N[C@@H]2C[C@@]3(CCC(=O)N(C)CC3)Oc3ccccc32)n1 72327783 IQXWRLJHNTVTPX-NRYAXDJKSA-N 424.545 3.472 0 40 HGAB O=c1cc([C@H]2CCCN(Cc3coc4ccccc4c3=O)C2)nc(-c2ccccn2)[nH]1 72393246 NBNIMQRKLUVYLV-INIZCTEOSA-N 414.465 3.318 0 40 HGAB COc1ccc(C(=O)N2CCC([C@@H]3C[C@H](C(F)(F)F)n4ncnc4N3)CC2)s1 72395616 QFKDFFYHCVYLRE-WCQYABFASA-N 415.441 3.188 0 40 HGAB O=S(=O)(/C=C/c1cccc(Br)c1)Nc1cccc(-c2nnn[nH]2)c1 95447980 BRZGDEDPVKDQOS-BQYQJAHWSA-N 406.265 3.042 0 40 HGAB CCS(=O)(=O)C(Br)(Br)[C@@H](O)c1ccc(Cl)cc1 96520886 JLPSAFOUGMFNFB-VIFPVBQESA-N 406.523 3.252 0 40 HGAB CCCNS(=O)(=O)c1ccc(OCC(=O)N[C@@H](C)c2ccccc2)c(Cl)c1 107826613 BMEZILLKZYPGON-AWEZNQCLSA-N 410.923 3.285 0 40 HGAB O=C(O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 169619862 YTZQVNLKYKSHMT-GSPCLOLRSA-N 416.521 3.443 0 40 HGAB Cc1ccc([C@H](C)NC(=O)CCCN2C(=O)c3ccccc3S2(=O)=O)c(C)c1 219445848 HDRXUPMZZOMQIW-INIZCTEOSA-N 400.500 3.106 0 40 HGAB CC(C)Oc1cccc(CNC(=O)CCCN(C)S(=O)(=O)c2ccccc2)c1 219720258 IADONNNOVCWZTR-UHFFFAOYSA-N 404.532 3.191 0 40 HGAB CC[C@H](NC(=O)[C@@H](C)N(c1cccc(C)c1)S(C)(=O)=O)c1ccc(OC)cc1 220147390 GVEQEFWXAHMYDW-UZLBHIALSA-N 404.532 3.426 0 40 HGAB CC[C@H](C(=O)NCCc1ccc(OC)cc1)N(c1cc(C)cc(C)c1)S(C)(=O)=O 220564887 IVKFFDXDQHRIPF-OAQYLSRUSA-N 418.559 3.216 0 40 HGAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1cccc(N(C)S(C)(=O)=O)c1C 222432436 OZXVIPGHFTZPDY-CQSZACIVSA-N 417.531 3.171 0 40 HGAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1cccc(N(C)S(C)(=O)=O)c1C 222432501 OZXVIPGHFTZPDY-AWEZNQCLSA-N 417.531 3.171 0 40 HGAB C[C@H](NS(=O)(=O)Cc1cccc(Br)c1)c1ccc2c(c1)OCCO2 222736002 MCHZPQBETWGRGU-LBPRGKRZSA-N 412.305 3.401 0 40 HGAB COc1ccc(CN(C(=O)Cc2ccccc2)[C@@H](C)C(=O)NCc2cccnc2)cc1 222990161 PNVYNGGGODTOMR-IBGZPJMESA-N 417.509 3.366 0 40 HGAB COCCn1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN(C)C)c1C 223222716 CWQPCVQWJQXCKH-NHCUHLMSSA-N 415.607 3.071 0 40 HGAB Cc1cccc(N(CCCC(=O)NCCOc2ccccc2C)S(C)(=O)=O)c1 224626957 CVKDDMPIZYTSGD-UHFFFAOYSA-N 404.532 3.045 0 40 HGAB COCc1cccc(NC(=O)CCCN(c2c(F)cccc2F)S(C)(=O)=O)c1 224887419 HWESUAZDLRCWGE-UHFFFAOYSA-N 412.458 3.296 0 40 HGAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NS(=O)(=O)c1nnc(NC(=O)C(C)C)s1 225808651 GREPERCKFXVVSX-ZDUSSCGKSA-N 424.548 3.022 0 40 HGAB COc1ccccc1Cc1cc(C(=O)N2CCC[C@]3(C)NC(=O)CCC[C@H]23)ccn1 257313770 UUBAKVKMNNYMOV-URXFXBBRSA-N 407.514 3.344 0 40 HGAB CC[C@H](C(=O)N[C@H](C)c1ccccc1OC)N(c1ccc(OC)cc1)S(C)(=O)=O 260800734 VVILPBZXFUTLHC-DNVCBOLYSA-N 420.531 3.126 0 40 HGAB CC(C)n1cc(CN2C[C@@H]3[C@@H](C2)c2cc(-c4cccnc4)ccc2S3(=O)=O)cn1 306131180 JYFAAZOPCFRDAU-RBBKRZOGSA-N 408.527 3.281 0 40 HGAB Cc1nc(CN2C(=O)c3cccn3[C@@H]3CN(Cc4ccc5c(c4)OCO5)C[C@H]32)cs1 306141551 WAAZINDOPZWKQV-RTBURBONSA-N 422.510 3.063 0 40 HGAB Cc1nnc2c(N3CCC(NC(=O)Cc4ccc(SC(C)C)cc4)CC3)nccn12 390832170 XTLDMOZTJBPWLK-UHFFFAOYSA-N 424.574 3.261 0 40 HGAB COC(=O)c1ccc(CSc2nnc(CN3CCOCC3)n2-c2ccccc2)cc1 409214211 WQGSFPNLYUQZKY-UHFFFAOYSA-N 424.526 3.178 0 40 HGAB C[C@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)Nc1ccc2c(c1)OCO2 409393898 YYYQVERXEFLKRG-VIFPVBQESA-N 417.270 3.028 0 40 HGAB CO[C@H]([C@H](C)C(=O)N[C@H](C)[C@H](O)c1ccccc1)[C@H]1CCCN1C(=O)OC(C)(C)C 504148185 XJDVGABQIFOWFC-GRLGQGAKSA-N 420.550 3.275 0 40 HGAB NS(=O)(=O)c1ccc2c(c1)[C@@H](NCCc1nc(C(F)(F)F)cs1)CCC2 562080789 GHEKJAOMJOONDC-ZDUSSCGKSA-N 405.467 3.019 0 40 HGAB CCOC(=O)c1sc(NC(=O)[C@H]2CCCN2c2nc3ccccc3o2)nc1C 669609118 RMQZTFGBKFIIOU-CYBMUJFWSA-N 400.460 3.377 0 40 HGAB COc1cc(CNC(=O)N2CCO[C@H](c3nnc(C)o3)C2)ccc1OCCC(C)C 683817205 BAENVNRFXLKFDQ-IBGZPJMESA-N 418.494 3.095 0 40 HGAB Cc1nc2sccn2c1CN(C)C(=O)c1cnc2c(c1)c(C(F)(F)F)nn2C 1137121145 VQFJMNAFUKMUHS-UHFFFAOYSA-N 408.409 3.277 0 40 HGAB O=C(NC[C@@H](O)c1ccc(Cl)c(F)c1)c1cccc(CNc2ccncn2)c1 1567144446 UHFFJFNQTPUUQZ-GOSISDBHSA-N 400.841 3.345 0 40 HGAB C[C@H](Sc1ccc(F)cc1)C(=O)N1CCO[C@H](c2ccc(S(C)(=O)=O)cc2)C1 1642182024 HCIOGAWJJNIOGJ-LIRRHRJNSA-N 423.531 3.310 0 40 HGAB C[C@H]1CCN(CCNC(=O)Nc2cccc(C(=O)Nc3ccc(Cl)cn3)c2)C1 1666832828 SRHUBAYMXBEETN-AWEZNQCLSA-N 401.898 3.451 0 40 HGAB Cc1ccc(CN2C(=O)NC3(CCN(C(=O)c4ccc(Cl)cc4)CC3)C2=O)cc1 1888913385 HSXRSZMCINCFHX-UHFFFAOYSA-N 411.889 3.375 0 40 HGAB CC(=O)Nc1ccc(C(=O)N2CCC(Cn3c(C)nc4ccccc4c3=O)CC2)cc1 1888962019 GGRQKDGCHWUJKG-UHFFFAOYSA-N 418.497 3.216 0 40 HGAB CC(C)n1nccc1CN1CCC[C@@]2(CC1)CN(c1cccc(F)c1)C(=O)CO2 2037988938 OFVXOTRTMULZNS-JOCHJYFZSA-N 400.498 3.391 0 40 HGAB CC(C)(C)C(=O)Nc1ccc(N2CCN(c3nccc(C(F)(F)F)n3)CC2)cn1 2298049117 KOLIASKAOWBIKZ-UHFFFAOYSA-N 408.428 3.202 0 40 HGAB Cn1cc(-c2cncc(N3CCN(Cc4cccc(C(F)(F)F)c4)CC3)n2)cn1 2298227074 ITYAMTYFWNBLTQ-UHFFFAOYSA-N 402.424 3.218 0 40 HGAB COc1ccc(OC)c(N(CC(=O)Nc2cccc3ccccc23)S(C)(=O)=O)c1 654265 FMVWAOSEWFCAKO-UHFFFAOYSA-N 414.483 3.262 0 40 HGAB Cc1cc(C)nc(SCc2nnc(SCC(=O)Nc3ccc(F)cc3)n2C)n1 883005 POHPUGLCHMEYLR-UHFFFAOYSA-N 418.523 3.384 0 40 HGAB CCOc1ccc([C@H]2C(C(=O)OCCOC)=C(C)N=C3S[C@H](CC)C(=O)N32)cc1 2487366 UJTKJIPUZHKVAK-AEFFLSMTSA-N 418.515 3.314 0 40 HGAB CC(=O)Nc1ccc(NC(=O)COC(=O)c2c(C)nn(-c3ccccc3)c2C)cc1 3431471 DCOYHVWZXMVGGJ-UHFFFAOYSA-N 406.442 3.243 0 40 HGAB Cc1ccc(C)c(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCc2ccccc2)c1 4061389 IPJOYMOJHLOZPV-UHFFFAOYSA-N 419.510 3.144 0 40 HGAB O=C(CSc1nnc(NC(=O)COc2ccccc2)s1)Nc1ccccc1 4077718 ZLSVHQVRMYWWQR-UHFFFAOYSA-N 400.485 3.286 0 40 HGAB O=C(CSc1nc(=O)n(Cc2cccnc2)c2c1CCC2)Nc1ccccc1F 4330113 ZIHDWKHGKOTPCP-UHFFFAOYSA-N 410.474 3.045 0 40 HGAB CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)Nc2c(C)nn(-c3ccccc3)c2C)c1C 4548394 WHNUWWYXEBDZKP-UHFFFAOYSA-N 408.458 3.432 0 40 HGAB COc1cccc2sc(N3CCN(C(=O)c4ccc5c(c4)OCCO5)CC3)nc12 4583485 FZSJGEJVNUJKOX-UHFFFAOYSA-N 411.483 3.039 0 40 HGAB COc1ccc(N2C(=O)C[C@@H](N3CCC(c4nc5ccccc5o4)CC3)C2=O)cc1 4593402 ZZGGXIUGBOZYOM-LJQANCHMSA-N 405.454 3.348 0 40 HGAB O=C(O)CN1C(=O)S/C(=C/c2ccc(Sc3nc4ccccc4[nH]3)o2)C1=O 4678223 PFOBSVIGDSSEMS-KPKJPENVSA-N 401.425 3.428 0 40 HGAB COc1ccc(Cc2nnc(SCC(=O)c3ccc(OC)c(OC)c3)n2C)cc1 4816302 KDPCCPHZAQHCIH-UHFFFAOYSA-N 413.499 3.407 0 40 HGAB CCOC(=O)c1nn(-c2ccccc2C)c(=O)cc1OCC(=O)Nc1ccc(C)cc1 4853583 ZKCOHSFUNBIZER-UHFFFAOYSA-N 421.453 3.044 0 40 HGAB Cc1c(C(=O)OCC(=O)c2ccc(Cl)s2)sc2nc3n(c(=O)c12)CCC3 5247038 UQQZLOAUUYASMU-UHFFFAOYSA-N 408.888 3.467 0 40 HGAB CC1CCN(S(=O)(=O)c2ccc(C(=O)Nc3ncnc4sccc34)cc2)CC1 5299445 NXSOJFRBZYNJDB-UHFFFAOYSA-N 416.528 3.364 0 40 HGAB O=C(Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1)[C@H]1CCCC[C@H]1C(=O)O 5447868 TYUQOEUNCZTNER-ZWKOTPCHSA-N 408.520 3.127 0 40 HGAB CN(CC(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1)Cc1ccc(F)cc1 6602718 IYRCCKRMSUHDPN-UHFFFAOYSA-N 419.522 3.071 0 40 HGAB Cc1ccc(CSCC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 7094427 RRSUNRLAIGXRAY-UHFFFAOYSA-N 418.584 3.070 0 40 HGAB CCOc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3ccc(Cl)cn3)n2N)cc1 7124354 XDORGNAVVXFAEB-LLVKDONJSA-N 418.910 3.225 0 40 HGAB COc1cccc2c1OC1(CCN(C(C)=O)CC1)N1N=C(c3cccc(O)c3)C[C@H]21 7596807 OSFSJCOAKXZNJY-HXUWFJFHSA-N 407.470 3.283 0 40 HGAB COc1cc(C(C)=O)ccc1OCC(=O)Nc1cc(Cl)ccc1N1CCOCC1 7718741 ZFPIXUOMAJCZRF-UHFFFAOYSA-N 418.877 3.405 0 40 HGAB CCCOC(=O)c1ccc(N2C[C@@H](C(=O)O[C@@H](C)C(=O)c3ccccc3)CC2=O)cc1 7881372 MNSCSCLODJIBJR-LPHOPBHVSA-N 423.465 3.421 0 40 HGAB COc1ccc(/C=C/C(=O)NCc2ccccc2)cc1S(=O)(=O)NC(C)(C)C 7980744 IPZDPUGKVSFNBO-ACCUITESSA-N 402.516 3.102 0 40 HGAB COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)N1CCCCCC1 8181484 ADZSDTIXUQWCCF-UHFFFAOYSA-N 414.527 3.463 0 40 HGAB O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)NCc1ccccc1Cl 8273552 CXNHXJZPLOWMKG-UHFFFAOYSA-N 406.935 3.374 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NC[C@H](C)c3ccccc3)C2)cc1 8304039 RBEZMXAOPGCPTK-PKOBYXMFSA-N 416.543 3.016 0 40 HGAB CCOc1ccc(NC(=O)COc2ccccc2C(C)C)cc1S(=O)(=O)N(C)C 8348543 XFKZOJUKOXLILQ-UHFFFAOYSA-N 420.531 3.477 0 40 HGAB CCCC[C@H](C(=O)OCC(=O)Nc1ccc(C)cc1)N1C(=O)c2ccccc2C1=O 8411252 NRLYPNFXODRCLF-LJQANCHMSA-N 408.454 3.332 0 40 HGAB CCc1ccc(OCC(=O)Nc2nc3ccc(S(=O)(=O)N(C)C)cc3s2)cc1 9824690 MDAIDNOQAUQFLC-UHFFFAOYSA-N 419.528 3.127 0 40 HGAB COc1ccc(OC[C@H](C)NS(=O)(=O)Cc2ccc(Br)cc2)cc1 10543656 DTZPRCXVDHTSEN-ZDUSSCGKSA-N 414.321 3.345 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2cc3c(cc2Cl)OCCO3)cc1 10997755 BBHNNOCWUTXUEW-UHFFFAOYSA-N 424.906 3.394 0 40 HGAB CCOC(=O)Nc1ccc2c(Cn3nnc(-c4ccc(C)cc4)n3)cc(=O)oc2c1 11204924 KMHUXQJSLHKCKW-UHFFFAOYSA-N 405.414 3.372 0 40 HGAB O=C(Cn1c(=O)n(-c2ccc(F)cc2)c(=O)c2oc3ccccc3c21)NC1CCCC1 12140771 RVTCNHZGZPZMBK-UHFFFAOYSA-N 421.428 3.097 0 40 HGAB COc1ccccc1CC(=O)N1CCC(O)(Cn2ccc3nc(Cl)ccc32)CC1 12163214 SZULQYYMROZLNR-UHFFFAOYSA-N 413.905 3.295 0 40 HGAB CCCOc1ccc([C@@H]2NC(=O)NC3=C2C(=O)N(Cc2ccc(OC)cc2)C3)cc1 12347081 CLBMDJSOCIJZHW-NRFANRHFSA-N 407.470 3.134 0 40 HGAB O=C(CN1C[C@H](C(=O)N2CCCCC2)Oc2ccccc21)Nc1cc(F)cc(F)c1 12587223 ZMMLHUGOYCEHFJ-HXUWFJFHSA-N 415.440 3.183 0 40 HGAB CC[C@H](NC(=O)CN(C)S(=O)(=O)c1ccc(C(C)=O)cc1)c1ccc(Cl)cc1 12883141 WBDLYSQNFIKVMU-IBGZPJMESA-N 422.934 3.431 0 40 HGAB CC(=O)c1c(C)[nH]c(C(=O)N2C[C@@H](C(=O)N3CCCCC3)Oc3ccccc32)c1C 12975424 DVMDQYUTTZJAJP-IBGZPJMESA-N 409.486 3.254 0 40 HGAB CCn1nnc2cc(C(=O)N(C)CC(=O)Nc3c(Cl)cccc3Cl)ccc21 12982889 ZIWWLBFZVMTKHY-UHFFFAOYSA-N 406.273 3.469 0 40 HGAB Cc1cc(NC(=O)CN(C)CC(=O)Nc2ccc(Cl)cc2)n(-c2ccccc2)n1 12992555 FFXIWULVFYYHFL-UHFFFAOYSA-N 411.893 3.343 0 40 HGAB O=C1C[C@H]([C@H]2CCCN(C(=O)[C@@H]3CC(c4ccccc4)=NO3)C2)Oc2ccccc21 13267064 NFDBSWGFXULTAR-IMRHEYAYSA-N 404.466 3.452 0 40 HGAB CCOC(=O)c1c(NC(=O)Cc2ccccc2OC)sc2c1CCN(CC)C2 14197533 LELNFHZSNUSLHM-UHFFFAOYSA-N 402.516 3.493 0 40 HGAB O=C(/C=C/c1cn(Cc2ccccc2)nn1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 14231335 BPHOCSZUEFSHCW-FKVRIVCVSA-N 416.481 3.475 0 40 HGAB O=C(Nc1nc2ccccc2s1)c1ccc2c(c1)SC1=NS(=O)(=O)CCN12 14825785 ZQOJVFZFDIXOGI-UHFFFAOYSA-N 416.509 3.160 0 40 HGAB COC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F 15327386 RABGUTKHCGRJKY-AWEZNQCLSA-N 421.824 3.421 0 40 HGAB CS(=O)(=O)c1ccccc1NC(=O)COc1ccccc1C(=O)Nc1ccccc1 15551392 CEXHLLZPUGFIBZ-UHFFFAOYSA-N 424.478 3.360 0 40 HGAB Cc1ccccc1CN1C[C@@H](C(=O)NC(C)C)[C@H](c2ccnc(N3CCCC3)n2)C1 19237267 NKRWEJJWXFEZTE-NHCUHLMSSA-N 407.562 3.125 0 40 HGAB Cn1nc(-c2cccnc2)cc1CN1CCN(C(=O)c2cc3ccc(F)cc3[nH]2)CC1 19289034 DISYGHCCCMBGFE-UHFFFAOYSA-N 418.476 3.061 0 40 HGAB Cc1ccc(SCCNC(=O)CN(c2c(C)cccc2C)S(C)(=O)=O)cc1 20237593 IUJMLVQSQIUURR-UHFFFAOYSA-N 406.573 3.286 0 40 HGAB COc1ccccc1CNC(=O)[C@H]1CCCN1S(=O)(=O)c1c(C)cc(C)cc1C 22521290 CVQDBDFZGXPXBF-LJQANCHMSA-N 416.543 3.090 0 40 HGAB CCc1ccc(NC(=O)[C@H](C)N2CCN(CCOc3ccc(OC)cc3)CC2)cc1 22772801 XXZREPZHVKZYOE-IBGZPJMESA-N 411.546 3.281 0 40 HGAB C[C@@H]1CCc2sc(C(=O)NCCNS(=O)(=O)c3cccc(Cl)c3)cc2C1 23131589 VXLHTIAVGPUNHM-GFCCVEGCSA-N 412.964 3.235 0 40 HGAB COc1cc(NC(=O)c2cccs2)c(C(=O)OCc2nc(C)no2)cc1OC 23374366 KUEOSWMVSNFNLZ-UHFFFAOYSA-N 403.416 3.066 0 40 HGAB O=C(CCNC(=O)c1ccc(Cl)cc1)Nc1cc(Cl)ccc1-n1cncn1 24042095 KOSUNJUVZPAFSW-UHFFFAOYSA-N 404.257 3.333 0 40 HGAB C[C@H]1CCc2c(sc3nc(CN4CCOCC4)nc(-n4nnc5ccccc54)c23)C1 24496163 SYHRQDUNDNEBGX-AWEZNQCLSA-N 420.542 3.382 0 40 HGAB COc1ccc(Br)cc1C(=O)CCC(=O)N[C@H]1CCCc2c1cnn2C 24986403 PVJDCTPYTYGCCL-HNNXBMFYSA-N 420.307 3.348 0 40 HGAB Cc1ccc(-c2noc(COc3ccccc3C(=O)N3CCCN(C)CC3)n2)cc1 32579161 WAPOWHOOXSIBBT-UHFFFAOYSA-N 406.486 3.402 0 40 HGAB Cc1ccc(-c2cc(C(=O)NCCc3ccccc3)nn2[C@@H]2CCS(=O)(=O)C2)cc1 33325545 YCXBSFLBXWDSCP-HXUWFJFHSA-N 423.538 3.191 0 40 HGAB CN(C(=O)c1cc(S(=O)(=O)NC2CC2)c(Cl)cc1Cl)c1ccc(O)cc1 40059739 SVSOFSOEHHFWTR-UHFFFAOYSA-N 415.298 3.416 0 40 HGAB COC(=O)CCCCCNC(=O)N1CCc2[nH]cnc2[C@@H]1c1ccc(Cl)cc1 40267039 AYCPKDQCHGREEW-IBGZPJMESA-N 404.898 3.454 0 40 HGAB CN(C)[C@@H](CNC(=O)C(=O)Nc1ccc(F)cc1Br)C1CCCCC1 41642192 PQEIPINNSBALMH-INIZCTEOSA-N 414.319 3.153 0 40 HGAB CN(c1cccc(NC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)c1)S(C)(=O)=O 44786962 WFNZXPNWJCXTHQ-QGZVFWFLSA-N 419.522 3.072 0 40 HGAB O=C(CCNc1ncccn1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 45858028 VABWRUMYTXNTCD-UHFFFAOYSA-N 401.514 3.212 0 40 HGAB CCCNC(=O)Cn1cc(C(=O)Nc2ccc(CC)cc2)c(=O)c2ccc(C)nc21 49002162 XPSUFQPFMXDUCO-UHFFFAOYSA-N 406.486 3.046 0 40 HGAB Cc1cccc(C)c1NC(=O)Cn1c(=O)n(-c2ccccc2)c(=O)c2sccc21 57428804 UHOBOMGCKHOWDS-UHFFFAOYSA-N 405.479 3.469 0 40 HGAB Cc1cccn2cc(CC(=O)NCc3ccccc3CN3C[C@H](C)O[C@H](C)C3)nc12 58405642 SKLQQRBFSIIFSX-KDURUIRLSA-N 406.530 3.111 0 40 HGAB COc1cccc(-n2ccn3c(SCC(=O)c4ccc(C)cc4C)nnc3c2=O)c1 64593628 MANLNZUNTGBSII-UHFFFAOYSA-N 420.494 3.481 0 40 HGAB CCN(CC)c1ccc(NC(=O)N2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)cn1 69566201 YINUDEUODRRHFL-GOSISDBHSA-N 414.485 3.495 0 40 HGAB CN(C)c1ccc(-c2nc3n(c2NC(C)(C)C)CCN(C(=O)c2ccn[nH]2)C3)cc1 72347141 NTWZZADATWPGQC-UHFFFAOYSA-N 407.522 3.206 0 40 HGAB COc1cc(CCC(=O)N2CCC3(CC2)CNC(=O)c2cc(C)ccc2O3)ccc1C 72393316 FKWMRFFFGIFEBU-UHFFFAOYSA-N 422.525 3.428 0 40 HGAB CC(C)NC(=O)CN(C)C(=O)C(C)(C)[C@@H](O)c1cccc(OCc2ccccc2)c1 95441917 ASZHZVIPFYXWME-QFIPXVFZSA-N 412.530 3.308 0 40 HGAB Cc1cc(=O)oc2cc(OCC(=O)N[C@H](C)c3nnc4ccccn34)c(Cl)cc12 95477274 LYSBSFZMJSQRQI-GFCCVEGCSA-N 412.833 3.054 0 40 HGAB N#CC(C#N)=c1s/c(=C/c2ccc(Cl)cc2Cl)c(=O)n1Cc1ccccc1 95950369 NQFABFUMKGEFNX-QGMBQPNBSA-N 412.301 3.292 0 40 HGAB COc1cc(CNc2nc3c(F)cccc3n2C)ccc1OCC(=O)N1CCCC1 95990318 SDXBJOKYVKAMKS-UHFFFAOYSA-N 412.465 3.334 0 40 HGAB CC(C)CN1CC2(CCN(C(=O)c3cc(F)cc(F)c3)CC2)[C@@]2(CCN(C)C2=O)C1 96262741 XQEVQDVORQRQKS-QHCPKHFHSA-N 419.516 3.007 0 40 HGAB CCS(=O)(=O)C(Br)(Br)C(=O)c1cccc(Cl)c1 96518482 JVANRRRLOQEHDL-UHFFFAOYSA-N 404.507 3.401 0 40 HGAB O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C(=O)N1CN(C(=O)C(F)(F)F)c1ccccc1Cl 100395226 JVRDQUOEXUDOPB-GRUDOPTHSA-N 424.806 3.246 0 40 HGAB O=C(NC1CCCC1)c1c(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)sc2c1CCC2 102339909 FNWMSRZQROUHPP-SYWGBEHUSA-N 414.527 3.371 0 40 HGAB O=C(O)c1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3ON2c2ccccc2)cc1 102762384 WDMCEWNAISSDKL-NJYVYQBISA-N 414.417 3.436 0 40 HGAB COc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)cc(Cl)c1OC 106754899 UBEFJWGCHDLUFY-GDNBJRDFSA-N 424.906 3.406 0 40 HGAB CCOC(=O)[C@@H]1C(=O)N(CCCOC)c2nc3ccccc3n2[C@H]1[C@@H]1CC=CCC1 216581463 LXQLQHPRFBRXQO-UXPWSPDFSA-N 411.502 3.496 0 40 HGAB CC[C@H](C(=O)N[C@H](C)COc1ccccc1C)N(c1ccccc1)S(C)(=O)=O 219085718 SYUHWZGEHPXMFP-IEBWSBKVSA-N 404.532 3.123 0 40 HGAB CS(=O)(=O)N(CC(=O)N1CCc2ccccc2C1)c1ccc(C(F)(F)F)cc1 220041330 XAOHJEHMTWQNIG-UHFFFAOYSA-N 412.433 3.056 0 40 HGAB CCOc1ccc(N(CCCC(=O)N2CCc3ccccc32)S(C)(=O)=O)cc1 222622053 MEQWVEVOMANNFT-UHFFFAOYSA-N 402.516 3.221 0 40 HGAB COc1ccc(CCCNC(=O)CCCN(c2ccccc2F)S(C)(=O)=O)cc1 222658626 NYDPWLJPKSVVHO-UHFFFAOYSA-N 422.522 3.130 0 40 HGAB COc1ccc(C)cc1NC(=O)CCCN(c1ccc(F)c(F)c1)S(C)(=O)=O 222676941 YAKNZAZZERCWOY-UHFFFAOYSA-N 412.458 3.467 0 40 HGAB CCOCCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1 222918029 TWEAOCAJDNCEJI-GOSISDBHSA-N 400.494 3.328 0 40 HGAB COc1ccc(S(=O)(=O)NCc2ccccc2CN2CCCC2=O)cc1C(C)C 223703193 IJTWXKJDJILEDA-UHFFFAOYSA-N 416.543 3.420 0 40 HGAB CC[C@H](NC(=O)[C@@H](C)Oc1ccc(N(C)S(C)(=O)=O)cc1)c1ccc(OC)cc1 223767106 OZORYQPMDACXCN-QRWLVFNGSA-N 420.531 3.126 0 40 HGAB CN(C)c1nc(N2CCCC2)ncc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 224343293 ADHGJYZCMGDINT-UHFFFAOYSA-N 416.334 3.250 0 40 HGAB Cc1cc(C(=O)NCc2cccc(CN3CCCCC3)c2)ccc1NS(C)(=O)=O 224668629 PIIYDAMIKLQTLA-UHFFFAOYSA-N 415.559 3.282 0 40 HGAB COc1ccc(S(=O)(=O)N(CC(=O)O)c2cc(Cl)cc(Cl)c2)cc1OC 224801166 JQDXIPSGDDRQDB-UHFFFAOYSA-N 420.270 3.291 0 40 HGAB C[C@H](CNC(=O)CCCN(c1c(F)cccc1F)S(C)(=O)=O)c1ccccc1 224886648 ZEQLJHKLJVCJTQ-OAHLLOKOSA-N 410.486 3.431 0 40 HGAB COc1ccc2c(c1)CCC[C@@H]2NC(=S)Nc1cccc(N(C)S(C)(=O)=O)c1 225703709 VNGGCENWQCZWBO-IBGZPJMESA-N 419.572 3.455 0 40 HGAB COc1ccc(NC(=O)[C@@]2(C)CCCN(Cc3ccccc3)S2(=O)=O)cc1OC 225952452 ZAYNXZDXQGUGFT-OAQYLSRUSA-N 418.515 3.027 0 40 HGAB Cc1cc(F)ccc1S(=O)(=O)N1CC[C@H](Oc2ncccc2Br)C1 238932521 VFFFRLNKUROWGT-ZDUSSCGKSA-N 415.284 3.134 0 40 HGAB CCn1c(=O)oc2cc(NC(=O)CN3C[C@H]4CC[C@H](Cc5ccccn5)[C@H]4C3)ccc21 257279078 OEYKSXYBKIEWMF-MBOZVWFJSA-N 420.513 3.149 0 40 HGAB COc1ccc(Nc2cc(C)nc([C@@H]3CCCN(S(=O)(=O)N(C)C)C3)c2)cc1 257306253 STLVSHDLVFKOOI-MRXNPFEDSA-N 404.536 3.128 0 40 HGAB CCC(=O)N1CCC[C@H](c2nc(C)c(CC(=O)NCc3ccc(F)cc3)c(C)n2)C1 257344912 ZZEAEKNGEMSCBZ-SFHVURJKSA-N 412.509 3.207 0 40 HGAB CS(=O)(=O)N1C[C@H](C(=O)Nc2ccc3c4c(cccc24)CC3)Oc2ccccc21 260841693 BPKQREHJSIJMHH-HXUWFJFHSA-N 408.479 3.104 0 40 HGAB COC(=O)c1ccc(C(=O)OC)c(NS(=O)(=O)c2ccc(OC)c(C(C)C)c2)c1 408679808 LNJOZMBKPAGEID-UHFFFAOYSA-N 421.471 3.193 0 40 HGAB O=C(c1ccc(N2CCOCC2)cc1)N1CCC[C@@H](Oc2ccncc2Cl)C1 575612255 KKLSZFYDRLJATI-GOSISDBHSA-N 401.894 3.255 0 40 HGAB O=C(N[C@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1)c1cnc2n1CCCCC2 1615613746 XOGPRXSMALZKRO-HNNXBMFYSA-N 411.456 3.496 0 40 HGAB Cn1cc(-c2cncc(N3CCN(c4nc5c(Cl)cccc5s4)CC3)n2)cn1 2087164203 FGRFAYLDEIACEY-UHFFFAOYSA-N 411.922 3.467 0 40 HGAB CCc1cccc(C)c1NC(=O)Cn1cnc2c(cnn2-c2ccc(OC)cc2)c1=O 1330751 QMEUFARBWZWMCQ-UHFFFAOYSA-N 417.469 3.100 0 40 HGAB CC1CCN(C(=O)CSc2nc3c(c(=O)n2-c2ccc(F)cc2)SCC3)CC1 2459475 RWBGHKSTNMHPIK-UHFFFAOYSA-N 419.547 3.370 0 40 HGAB O=C(CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1)N1CCOCC1 3293267 WZBFJNTVKGIPKM-UHFFFAOYSA-N 418.906 3.191 0 40 HGAB COc1ccc(C)cc1-n1nnnc1SCC(=O)N[C@@H](C)c1ccc(F)cc1 3343889 OHJPIBVPBXWIOX-ZDUSSCGKSA-N 401.467 3.088 0 40 HGAB COCCn1c(C)cc(C(=O)CSc2nncn2-c2ccc(OC)cc2)c1C 3450158 OIOKCMSPRHIZET-UHFFFAOYSA-N 400.504 3.316 0 40 HGAB O=C(CSc1nnc(Cn2nnc3ccccc32)o1)Nc1cccc(Cl)c1 4130189 MLFCTLDSVUMGAU-UHFFFAOYSA-N 400.851 3.247 0 40 HGAB Cc1ccc(Cl)cc1NC(=O)COC(=O)c1cccc(N2C(=O)CCC2=O)c1 4352341 DGJLHKOKUVVBLA-UHFFFAOYSA-N 400.818 3.097 0 40 HGAB O=C(NCCc1nnc2ccc(NCc3ccc(Cl)cc3)nn12)c1ccccc1 4358550 RGXCUZQYSIMITD-UHFFFAOYSA-N 406.877 3.362 0 40 HGAB CCCOc1cccc(C(=O)Nc2cc(C(=O)OC)ccc2N2CCN(C)CC2)c1 4749450 ZGJLWCMJECARIT-UHFFFAOYSA-N 411.502 3.266 0 40 HGAB COc1cccc(CN2C(=O)N(C(C)C)[C@@H](N(O)C(=O)NC(C)C)C2(C)C)c1OC 4811366 SVMDYBIOWDRWOZ-SFHVURJKSA-N 422.526 3.264 0 40 HGAB COc1ccc(S(=O)(=O)N(CC(=O)N2CCCCC2)c2ccc(F)cc2)cc1 5000677 JNSDHLJBMTZFDC-UHFFFAOYSA-N 406.479 3.042 0 40 HGAB O=C(Nc1nc2ccc(F)cc2s1)[C@H]1CCCN1S(=O)(=O)c1cccs1 5298748 HKFGOZQXXUCMPM-GFCCVEGCSA-N 411.505 3.289 0 40 HGAB COc1ccc(S(=O)(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]2C)cc1OC 5428762 VZUNUSOCSJAGKA-ZDUSSCGKSA-N 407.488 3.029 0 40 HGAB O=C(NCCN1C(=O)S/C(=C/c2cccnc2)C1=O)c1cccc(OC(F)F)c1 6189208 RCKUZCZZUOYUBE-OQLLNIDSSA-N 419.409 3.149 0 40 HGAB COc1cccc([C@H]2c3c(-c4c(C)cc(C)cc4O)n[nH]c3C(=O)N2CCCO)c1 6743250 VRNJSSJQZKMSPB-QFIPXVFZSA-N 407.470 3.335 0 40 HGAB CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)N[C@H]2CCSc3ccccc32)C1=O 6848757 FMHMTKRJXIQJNV-HTAPYJJXSA-N 409.511 3.197 0 40 HGAB CN(CC(=O)Nc1ccc(F)c(F)c1F)CC(=O)N[C@@H]1CCCc2ccccc21 6882251 YWXOXAQDMKZELE-MRXNPFEDSA-N 405.420 3.168 0 40 HGAB O=C(NCc1ccccc1Cl)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 6884549 SAMJYSAOQOLMSQ-HNNXBMFYSA-N 410.898 3.196 0 40 HGAB CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)Cc1cc(-c2cccs2)on1 7356458 JSAPBHJDTACBIW-UHFFFAOYSA-N 412.515 3.310 0 40 HGAB NC(=O)N[C@H](CC(=O)OCC(=O)c1ccc[nH]1)c1cccc(Oc2ccccc2)c1 7984913 VEUGHTUGUGNNGY-LJQANCHMSA-N 407.426 3.333 0 40 HGAB CC(=O)Nc1cc(NC(C)=O)cc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)c1 8366780 UEDAZBYMPCXNBB-HXUWFJFHSA-N 423.469 3.352 0 40 HGAB CCOc1cccc([C@H]2c3c(oc4cc(OC)ccc4c3=O)C(=O)N2CCN(C)C)c1 9328349 KSRLFTLCGFZYDI-NRFANRHFSA-N 422.481 3.307 0 40 HGAB CN1CCc2c([nH]c3ccccc23)[C@H]1c1c(O)[nH]c(=O)n(CCC2=CCCCC2)c1=O 9331928 KWUIYOMYMPIQMR-OAQYLSRUSA-N 420.513 3.191 0 40 HGAB biogenic C[C@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)C(=O)N(C)c1ccccc1 9377665 VKYWYAXXQYYMTR-AWEZNQCLSA-N 405.483 3.252 0 40 HGAB C[C@H](NC(=O)CN1C(=O)C(=O)N(C2CCCC2)C1=O)c1ccc(-c2ccccc2)cc1 9437763 BYODEBPSEBUNEM-INIZCTEOSA-N 419.481 3.264 0 40 HGAB Cc1nn2c(-c3ccc(S(=O)(=O)NCc4ccccc4)o3)nnc2c2ccccc12 9942711 GWJZNDLREXJYJR-UHFFFAOYSA-N 419.466 3.324 0 40 HGAB CS(=O)(=O)Nc1cccc(CNC(=O)COc2ccc(Cl)cc2Cl)c1 11374730 CDYIZEGNNMETCJ-UHFFFAOYSA-N 403.287 3.060 0 40 HGAB COc1cc(-c2nc(C(=O)N[C@@H](CO)CC(C)C)c(C)s2)cc(OC)c1OC 11866154 LZGIHLNFNNEOSW-CQSZACIVSA-N 408.520 3.281 0 40 HGAB COc1ccc(CC(=O)N2CCC[C@@H](c3nc4ccccc4cc3C(N)=O)C2)cc1 12255514 QEVSNFYHTZMPLM-GOSISDBHSA-N 403.482 3.291 0 40 HGAB O=C(NC[C@H]1CCCO1)C1(Cc2cc(-c3ccc(F)cc3F)no2)CCOCC1 12365656 JHARPSPRWKFCOH-OAHLLOKOSA-N 406.429 3.254 0 40 HGAB O=C(NC1CCN(Cc2ccccc2)CC1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 12389557 RDUBRJPPFZPBSB-GOSISDBHSA-N 411.933 3.474 0 40 HGAB O=C(CSc1nc2ccccc2c(=O)[nH]1)N1CCc2[nH]c3ccc(F)cc3c2C1 12409598 FDBCSTLLVNAMNY-UHFFFAOYSA-N 408.458 3.221 0 40 HGAB COc1ccc(Cl)cc1C(=O)N1CCN(c2ccc(-c3cccnc3)nn2)CC1 12443432 UJLWLZLWBWAKKD-UHFFFAOYSA-N 409.877 3.163 0 40 HGAB Cc1ccc(NS(=O)(=O)c2ccc3c(c2)NC(=O)CC(=O)N3)cc1C(F)(F)F 12507876 IRRBCIKHHOSADO-UHFFFAOYSA-N 413.377 3.095 0 40 HGAB Cc1ccn2cc(C(=O)NCC(=O)Nc3ccc(Br)cc3C)nc2c1 12550031 ZTROJKGZZMNRTD-UHFFFAOYSA-N 401.264 3.082 0 40 HGAB Cc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)N2C[C@H](C)O[C@@H](C)C2)c1 12584039 BQBLZUDSKSCYMK-IRXDYDNUSA-N 402.516 3.354 0 40 HGAB CCOc1ccc(N2C[C@H](C(=O)OCc3nc4ccccc4nc3C)CC2=O)cc1 12801985 LPTQLXAYIFSJKP-MRXNPFEDSA-N 405.454 3.433 0 40 HGAB C[C@H](OC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12)C(=O)N1CCCCCC1 12876757 IMDQIFNDRAKTTQ-KRWDZBQOSA-N 419.481 3.334 0 40 HGAB Cc1cc(Br)ccc1NC(=O)CNC(=O)c1cc(=O)c2ccccc2o1 12975588 OYZNXDHLKOPDTH-UHFFFAOYSA-N 415.243 3.232 0 40 HGAB Cc1ccc(N2C(=O)N(C[C@H](O)COCc3ccccc3Cl)C(=O)[C@H]2C)cc1 12984396 LHBQMCWDJIOOPB-QAPCUYQASA-N 402.878 3.383 0 40 HGAB CCC(C)(C)C1CCC(NC(=O)CSc2nc(C)c(CCC(=O)O)c(=O)[nH]2)CC1 12997076 NUZXYMGPNQQXMV-UHFFFAOYSA-N 423.579 3.299 0 40 HGAB CCOC(=O)c1ccc(C)c(NC(=O)CN(c2c(C)cccc2C)S(C)(=O)=O)c1 13647973 KFIQMEHDFQTWCJ-UHFFFAOYSA-N 418.515 3.193 0 40 HGAB COc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccc(C(=O)O)o2)cc1 14092737 KUZFLDYICDHRTC-UHFFFAOYSA-N 401.440 3.378 0 40 HGAB CCCCOc1ccc(C(=O)NCC(=O)N[C@@H](C)c2ccc(-n3cncn3)cc2)cc1 14198721 JOBRDGNFHXMXDC-KRWDZBQOSA-N 421.501 3.053 0 40 HGAB CCOC(=O)C1=C(C)N=C2N=C(C(F)(F)F)NN2[C@@H]1c1ccc(OC(F)F)cc1 14361391 UCRJWTXNUUBBTJ-GFCCVEGCSA-N 418.322 3.317 0 40 HGAB CC(C)n1ncc2cc(C(=O)OCCCCN3C(=O)c4ccccc4C3=O)cnc21 14710673 FXJWVZFGLGNNAF-UHFFFAOYSA-N 406.442 3.245 0 40 HGAB CCOc1ccc(Nc2nc(N(C)CCO)nc3c2cnn3-c2ccccc2)cc1 17308002 KQPRGJLGKXCOGF-UHFFFAOYSA-N 404.474 3.386 0 40 HGAB CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc2nc3c(c(O)n2n1)CN(CC1CC1)CC3 19081383 ZLOITSOAASLEFG-LJQANCHMSA-N 411.550 3.303 0 40 HGAB Cc1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](C1CCN(C(=O)C[C@H]3CCCO3)CC1)N2 19128607 QAVGQEWGQQNBAU-OWCLPIDISA-N 400.445 3.287 0 40 HGAB CC[C@@H]1C[C@H](C(F)(F)F)n2nc(C(=O)NC[C@H](C)N3CCC(C)CC3)cc2N1 19520592 NXZPXSZEBFGIOW-SQWLQELKSA-N 401.477 3.431 0 40 HGAB COc1ccc(S(=O)(=O)CCNC(=O)c2noc3c2C[C@@H](C(C)(C)C)CC3)cc1 19716680 XGFNDGYSKHYGNK-AWEZNQCLSA-N 420.531 3.038 0 40 HGAB O=S(=O)(NC[C@H](c1ccc(F)cc1)N1CCOCC1)c1ccc2ccccc2c1 23108128 BJEPEQBPKJUJTD-JOCHJYFZSA-N 414.502 3.331 0 40 HGAB O=C(Nc1cccc(CN2C(=O)CNC2=O)c1)c1ccccc1C(=O)c1cccs1 24925069 UJCCALOZASZGJW-UHFFFAOYSA-N 419.462 3.283 0 40 HGAB CCOC(=O)c1c(C)nc(-c2ccco2)nc1SCC(=O)NCc1ccco1 25057311 UOKGHIHXXNAZCT-UHFFFAOYSA-N 401.444 3.223 0 40 HGAB CCN(c1ccccc1)S(=O)(=O)c1ccc(NCc2cccc(C(=O)NC)c2)nc1 26729057 LNUJSRKUOIRAJO-UHFFFAOYSA-N 424.526 3.269 0 40 HGAB O=C(c1cc(S(=O)(=O)N2CCCC2)ccc1Br)N1CCCCCC1 26954780 ITQVRVYQPWJCIH-UHFFFAOYSA-N 415.353 3.250 0 40 HGAB Cc1nc2ncnn2c(C)c1CCC(=O)Nc1cccc(OCc2ccccn2)c1 31455250 VRRIVQGVJMKXTA-UHFFFAOYSA-N 402.458 3.286 0 40 HGAB CCCn1c(=O)[nH]c(=O)c2c(C(=O)Nc3ccc(F)c(F)c3)cc(C(C)C)nc21 32059706 KHYSMRAFQOVWNM-UHFFFAOYSA-N 402.401 3.149 0 40 HGAB COc1ccc([C@@H](CNC(=O)c2cc(-c3ccc4c(c3)OCCO4)on2)N(C)C)cc1 32593958 OMRDYYXJULKBAJ-LJQANCHMSA-N 423.469 3.154 0 40 HGAB CCOC(=O)[C@@H]1CSCCN1C(=O)c1cc(-c2ccccc2)nc2c1c(C)nn2C 32894269 LIIAHIMUWUVSSY-SFHVURJKSA-N 424.526 3.064 0 40 HGAB O=C(NCc1cccnc1N1CCOCC1)Nc1cccc(OCc2ccccn2)c1 40104851 QTCHOWWVHTXRFO-UHFFFAOYSA-N 419.485 3.214 0 40 HGAB Cc1ccc(-c2nc(COC(=O)C3CCN(C(=O)NCc4ccco4)CC3)no2)cc1 40127331 GMOZFXRDUKQPKE-UHFFFAOYSA-N 424.457 3.303 0 40 HGAB CCc1ccc(-c2ccc(=O)n(CCC(=O)N3CCN(c4ccccc4)CC3)n2)cc1 41252462 FRVQUSQXZNGEKO-UHFFFAOYSA-N 416.525 3.212 0 40 HGAB CC(C)c1cccc(N2C[C@@H](C(=O)Nc3ccc(N4CCNC4=O)cc3)CC2=O)c1 44305799 IVVJIMKLICUUMZ-KRWDZBQOSA-N 406.486 3.331 0 40 HGAB CC[C@@H](C)n1c(=O)c2ccccc2n(CC(=O)N[C@@H](C)CCc2ccccc2)c1=O 44840379 QPYCTXHMPBZKRZ-ZWKOTPCHSA-N 407.514 3.272 0 40 HGAB O=C1NC2(CCCC2)C(=O)N1CCCC(=O)N(Cc1ccc(F)cc1F)C1CC1 45197576 MSYRWPCRRVIMHC-UHFFFAOYSA-N 405.445 3.101 0 40 HGAB COc1ccc2c(c1)N(CN1CCN(c3cccc(C(F)(F)F)c3)CC1)C(=O)C2=O 46476464 MHGIGAUJHSVMCA-UHFFFAOYSA-N 419.403 3.023 0 40 HGAB Cc1cc(NC(=O)Cn2nc(N(C)C)c3ccccc3c2=O)ccc1Br 49007203 KDNZLXRPQHDTLE-UHFFFAOYSA-N 415.291 3.172 0 40 HGAB CC1(C)CC(N(Cc2ccncc2)Cc2cnc(N3CCOCC3)nc2)CC(C)(C)N1 57810702 IGBZZPXKFKXCBO-UHFFFAOYSA-N 424.593 3.020 0 40 HGAB C[C@H]1CCc2c(sc(NC(=O)CCN3C(=O)CCC3=O)c2C(=O)c2ccco2)C1 58245320 PTNQRNFHGRMLHC-LBPRGKRZSA-N 414.483 3.175 0 40 HGAB Cc1cc(S(=O)(=O)Nc2ccccc2Br)ccc1OCC(=O)O 58377266 RRUVINMSLPEPLA-UHFFFAOYSA-N 400.250 3.022 0 40 HGAB CCS(=O)(=O)c1ccccc1C(=O)NCc1cccc(Cn2nc(C)cc2C)c1 59918882 PWIPGXUMOCTQKW-UHFFFAOYSA-N 411.527 3.272 0 40 HGAB Cc1ccc2c(c1)CCCN2C(=O)[C@@H]1CCCN(c2ccc(-n3cccn3)nn2)C1 62022800 NWLPQJJLIKDPBA-LJQANCHMSA-N 402.502 3.167 0 40 HGAB COc1ccc(CC(=O)Nc2nnc([C@@H]3CC(=O)N(c4ccccc4)C3)o2)cc1C 62022986 RFQONOGDUAOEJP-MRXNPFEDSA-N 406.442 3.088 0 40 HGAB CN(Cc1nnc(-c2cccc(Br)c2)o1)S(=O)(=O)c1ccccc1 63740189 JKVZQVFYALTZKD-UHFFFAOYSA-N 408.277 3.320 0 40 HGAB Cc1ccc(NC(=O)Cn2c(-c3ccccc3)nc(C)c(CCO)c2=O)cc1Cl 67300161 PZQFFEYBIRLBCY-UHFFFAOYSA-N 411.889 3.354 0 40 HGAB C[C@H](OC(=O)[C@H]1Cc2ccccc2C(=O)O1)C(=O)Nc1ccc(N2CCCCC2)cc1 71863292 ZPJOJZQKKIXLRD-HRAATJIYSA-N 422.481 3.329 0 40 HGAB CSCC[C@H]1NC(=O)N(Cc2ncc(-c3ccccc3Br)o2)C1=O 78904236 HYYZGEPSVWVWLZ-GFCCVEGCSA-N 410.293 3.278 0 40 HGAB O=C(/C=C/c1ccc2c(c1)OCO2)N1CCC(Oc2cnc3ccccc3n2)CC1 90678353 RFOBEAKODQKSMH-SOFGYWHQSA-N 403.438 3.442 0 40 HGAB COc1cccc2[nH]cc([C@H](CC(=O)N[C@@H]3CCS(=O)(=O)C3)c3ccsc3)c12 95472768 KXIDZLWTMODOHD-HUUCEWRRSA-N 418.540 3.063 0 40 HGAB O=S(=O)(NCc1nc(-c2cccc(Br)c2)no1)c1cccs1 95481635 VMOZHIKMHCNKDI-UHFFFAOYSA-N 400.279 3.039 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCC(Cl)=C(Cl)C2)s1 95992885 YMTYNWZCADVFBD-ZDUSSCGKSA-N 409.360 3.131 0 40 HGAB Cc1c(C)c2ccc(OCC(=O)NC[C@@H]3CCCN4CCCC[C@H]34)c(C)c2oc1=O 96113758 SNIKVBGKVAIQCY-AZUAARDMSA-N 412.530 3.478 0 40 HGAB biogenic CC(=O)C1=NN(c2ccc(Cl)cc2)[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]12 100738644 DFAQYSXEXHQLIA-DOTOQJQBSA-N 402.237 3.317 0 40 HGAB COc1ccc(N2C[C@@H](C(=O)NCc3cncc(-c4ccsc4)c3)CC2=O)cc1 206944663 XZWZZFFISRUDBW-SFHVURJKSA-N 407.495 3.488 0 40 HGAB CN(CCCC(=O)NCCSCc1ccccc1F)S(=O)(=O)c1ccccc1 219721873 MIHZOUPANGTTJM-UHFFFAOYSA-N 424.563 3.276 0 40 HGAB Cc1ccc(OC[C@H](C)NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)cc1 219986098 RZUPBLUYXIPWHW-SFHVURJKSA-N 416.543 3.367 0 40 HGAB CCOc1ccccc1NC(=O)[C@H](CC)N(c1cccc(OC)c1)S(C)(=O)=O 220612021 ZZCGHELXKBVBTK-SFHVURJKSA-N 406.504 3.277 0 40 HGAB COc1ccc(N(CC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)S(C)(=O)=O)cc1 222918753 NFIOPRQFMZHDRV-INIZCTEOSA-N 416.543 3.217 0 40 HGAB Cc1ccsc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1CCCN1CCOCC1 223168035 ZJWCHUVMAFWNGV-ROUUACIJSA-N 402.589 3.146 0 40 HGAB COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1cccnc1 223712037 FWCIBEVDOBUQJV-LEWJYISDSA-N 421.526 3.193 0 40 HGAB Cc1c(Cl)cccc1N(CC(=O)NCCSC1CCCC1)S(C)(=O)=O 224446974 ZGBIPCZKXULHNN-UHFFFAOYSA-N 404.985 3.206 0 40 HGAB COC(=O)c1cccc(S(=O)(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)c1 224579733 MPKDRBXQTALFEU-UHFFFAOYSA-N 409.876 3.446 0 40 HGAB CSc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](C)CCc2ccccc2)cc1 224803818 JERZZUKMBNXTGB-INIZCTEOSA-N 406.573 3.167 0 40 HGAB COc1cc2c(cc1S(=O)(=O)Nc1ccc(N3CCOCC3)cc1)CCCC2 225017536 CPSVJSBULNFQAP-UHFFFAOYSA-N 402.516 3.211 0 40 HGAB O=C(C1CC1)N1CCc2cc(S(=O)(=O)NCCCOC3CCCCC3)ccc21 225373420 BOPOKSBOXDRJKT-UHFFFAOYSA-N 406.548 3.003 0 40 HGAB COc1ccc(S(=O)(=O)N[C@@H](C)c2cc(C)ccc2C)cc1N1C(=O)CCC1=O 225806378 FNGLJGIPDCOHJY-HNNXBMFYSA-N 416.499 3.005 0 40 HGAB CC[C@H](O)C[C@@H]1CC[C@H]([C@H](C)C(=O)O[C@H](CC)C[C@@H]2CC[C@@H]([C@H](C)C(=O)O)O2)O1 253388199 WGVQPPKZKAJDGR-HTPMCXQFSA-N 414.539 3.311 0 40 HGAB biogenic,in-vitro Cc1ccccc1C(=O)N[C@H](C)c1nnc(SCC(=O)Nc2ccccc2)n1C 409348565 OTKDGOPZSRWJNE-OAHLLOKOSA-N 409.515 3.345 0 40 HGAB CCn1cc(NC(=O)[C@H]2CCC(=O)N(C)[C@H]2c2ccc(C(F)(F)F)cc2)ccc1=O 524537916 FJKFLYGAGHQJKH-LPHOPBHVSA-N 421.419 3.435 0 40 HGAB O=C(NC[C@@H]1COc2ccccc2O1)N1CCCC2=C[C@@H]3C[C@H](CN4CCCC[C@@H]34)[C@H]21 1083103355 BFELMUXVWRRXHS-DVMSJWTNSA-N 423.557 3.431 0 40 HGAB COc1ccc(CN2CCC3(CC2)CC(=O)N(Cc2cc(C)on2)c2ccnn23)cc1 1772596503 NIJNXGBTZMAQMT-UHFFFAOYSA-N 421.501 3.116 0 40 HGAB Cc1ccc(O[C@@H](C)C(=O)N2CCC(Cn3nc4c(cc3=O)CCCC4)CC2)cc1C 1775965744 DTTJRLKRKQOLCL-IBGZPJMESA-N 423.557 3.445 0 40 HGAB COc1ccc(C(=O)Nc2nnc(Cc3ccc(OC)c(OC)c3)s2)c(OC)c1 804650 MCIVWMPJANYGID-UHFFFAOYSA-N 415.471 3.416 0 40 HGAB CCOC(=O)[C@H](Sc1nc(N)c2c3c(sc2n1)CO[C@@](C)(CC)C3)C(C)=O 2405094 GNJHQNOXQGXBGD-ACJLOTCBSA-N 409.533 3.128 0 40 HGAB O=C(OCC(=O)N1CCCc2ccccc21)c1ccccc1I 3620516 QEYPXKPVMLDKFJ-UHFFFAOYSA-N 421.234 3.427 0 40 HGAB COc1ccc(Cc2nnc(SCC(=O)Nc3ccccc3F)nc2O)cc1 4317327 BKBDQMKCEHMXGA-UHFFFAOYSA-N 400.435 3.047 0 40 HGAB COc1ccc(C(=O)CSc2nc(=O)n(Cc3cccnc3)c3c2CCC3)cc1 4330200 PLRPIJCXDJZTQN-UHFFFAOYSA-N 407.495 3.159 0 40 HGAB CCCc1nnc(SCC(=O)Nc2ccccc2C(=O)OCC)n1-n1cccc1 4518551 WGFONCAOGMAAIE-UHFFFAOYSA-N 413.503 3.251 0 40 HGAB Cc1ccc(NC(=S)NC(=O)c2ccco2)cc1S(=O)(=O)N1CCCCCC1 4867898 MGEPQPBTTYOSMC-UHFFFAOYSA-N 421.544 3.280 0 40 HGAB Cc1ccc(NC(=O)C[S@@](=O)CC(=O)NCCCc2ccccc2)cc1Cl 4895446 UGJOCIWDCPDIPG-HHHXNRCGSA-N 406.935 3.085 0 40 HGAB aggregator CC[C@@H](C)[C@H](NC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1)C(=O)OC 5215452 VUTFXTWCTVQKDO-CJNGLKHVSA-N 401.429 3.125 0 40 HGAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)Cc1ccc(Cl)cc1Cl 5615769 IZUADYFNQRCRNP-UHFFFAOYSA-N 417.314 3.434 0 40 HGAB O=C(NC1CCC(O)CC1)c1ccccc1SCC(=O)N1CCc2ccccc21 6652982 DSZGETYYAJTJNM-UHFFFAOYSA-N 410.539 3.401 0 40 HGAB O=C(CN(Cc1ccco1)S(=O)(=O)c1ccc(Cl)c(Cl)c1)NC1CC1 6785702 MXKURWNXQKUEOQ-UHFFFAOYSA-N 403.287 3.056 0 40 HGAB CC(C)Oc1ccc(C(=O)N(Cc2ccccc2F)[C@@H]2CCS(=O)(=O)C2)cc1 6811060 UGDSROZIIWNQIS-GOSISDBHSA-N 405.491 3.442 0 40 HGAB Cc1ccc(C(=O)CN2C(=O)N[C@@](C)(c3cccc(Br)c3)C2=O)s1 7388909 BDMHBMMXQQQJLL-KRWDZBQOSA-N 407.289 3.469 0 40 HGAB COc1cc(=O)n(-c2ccccc2)nc1C(=O)Nc1ccc(OC(F)(F)F)cc1 7455860 VBFQDVBELVELHK-UHFFFAOYSA-N 405.332 3.392 0 40 HGAB Cc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(Cl)cc3)CC2=O)c(C)c1 8039051 MPZJZRGEXGXXPM-HNNXBMFYSA-N 400.862 3.492 0 40 HGAB O=C(N[C@H]1CCN2C(=O)c3cc(-c4ccccc4)ccc3NC(=O)[C@H]12)c1cccs1 8296895 COLNJRRZWFNOMB-ICSRJNTNSA-N 417.490 3.380 0 40 HGAB biogenic,in-vitro C[C@]1(c2ccco2)NC(=O)N(CC(=O)Nc2ccccc2Oc2ccccc2)C1=O 8326552 LQFGNHLQDZXFAT-JOCHJYFZSA-N 405.410 3.478 0 40 HGAB Cc1nc(-c2ccccc2)sc1C(=O)NCCn1nc(-c2ccco2)ccc1=O 8954652 MMMSRODSTLMAKC-UHFFFAOYSA-N 406.467 3.365 0 40 HGAB COc1ccc(-c2nnc(SCC(=O)N3CCOCC3)n2C2CCCCC2)cc1 9582881 MCCOCPOIEYGCJE-UHFFFAOYSA-N 416.547 3.410 0 40 HGAB COc1cn(CC(=O)Nc2ccccc2F)c(CSc2nnc(C)s2)cc1=O 10254725 HOTOUWLYVIFQSS-UHFFFAOYSA-N 420.491 3.087 0 40 HGAB CCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(OCc3ccccc3)cc2)C1 10302353 FISLPZGAFLMPJM-GOSISDBHSA-N 402.516 3.266 0 40 HGAB Cc1ccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)Nc2ccccc2)cc1Cl 10384336 FRPYRFNLJIWXSH-QGZVFWFLSA-N 400.866 3.010 0 40 HGAB CCOC(=O)c1ccc(NC(=O)[C@H](C)N(c2cc(C)ccc2C)S(C)(=O)=O)cc1 10434455 IJCRKWWNTWVPLU-INIZCTEOSA-N 418.515 3.273 0 40 HGAB COc1ccccc1CC(=O)N1CCC[C@@H]1Cn1nc(-c2cccs2)ccc1=O 12145204 HISFAZLJSLDDTM-QGZVFWFLSA-N 409.511 3.214 0 40 HGAB CCN(Cn1nc(Nc2ccc(F)cc2)sc1=S)[C@@H]1CCS(=O)(=O)C1 12781872 KDKSVVQIWWDLBX-CYBMUJFWSA-N 402.542 3.023 0 40 HGAB Cc1cccc(C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)Nc2ccc(C)c(Cl)c2)c1 12924680 KHXXGZCEUPNWBN-SFHVURJKSA-N 422.934 3.129 0 40 HGAB Cc1c(C(=O)N2CCC(C(=O)NCc3ccccc3)CC2)cnn1-c1ccccc1F 12946299 FGGMBCBAWYPBAJ-UHFFFAOYSA-N 420.488 3.488 0 40 HGAB CC[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)N(c1ccc(Cl)cc1)S(C)(=O)=O 13714604 FSKXRMFOKXDXPI-INIZCTEOSA-N 424.906 3.295 0 40 HGAB Cc1cccc(C)c1OC[C@H](O)Cn1cnc2ccc(Br)cc2c1=O 14185343 HFOOOFJYWRAPSJ-OAHLLOKOSA-N 403.276 3.216 0 40 HGAB Cc1ccc(C)c(S(=O)(=O)C2(C(=O)Nc3ccc(C(N)=O)cc3)CCCC2)c1 14202013 SPHVIEPTMGZGQZ-UHFFFAOYSA-N 400.500 3.128 0 40 HGAB O=C(Nc1ccc(F)c(F)c1F)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 15581583 BSMJKABFUDMDJN-NSHDSACASA-N 416.396 3.282 0 40 HGAB O=S(=O)(NCCc1csc2nc(-c3ccccc3F)nn12)c1ccc(F)cc1 15783936 VSNADXNQFHCQKV-UHFFFAOYSA-N 420.466 3.257 0 40 HGAB COc1ccc(-c2nccc3ccn(CC(=O)NCCc4ccccn4)c23)cc1OC 19561482 MIJZUQWBUQRFRU-UHFFFAOYSA-N 416.481 3.474 0 40 HGAB Cn1cc2c(n1)[C@H](C(=O)Nc1nccs1)CN(Cc1ccc3c(c1)CC(C)(C)O3)C2 19701388 LTNYMDVJKXFRKE-QGZVFWFLSA-N 423.542 3.328 0 40 HGAB Cn1cc(C(=O)NCc2ccccc2)c(CC2CCN(Cc3ccncc3)CC2)n1 19759140 LWHRUYCLLVBDMJ-UHFFFAOYSA-N 403.530 3.200 0 40 HGAB CNc1cc(CN(C)C(C)=O)nc([C@@H]2CCCN2C(=O)c2cccc3ncccc23)n1 19760508 OEQXOJKZTYHUCL-FQEVSTJZSA-N 418.501 3.022 0 40 HGAB CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)N2CCN(C)CC2)[C@@H]1c1cccs1 20508294 RKGILORZWVCPSG-RTWAWAEBSA-N 411.571 3.459 0 40 HGAB Cc1cccc(C)c1N1C(=O)C[C@@H](N2CCN(Cc3ccc(Cl)s3)CC2)C1=O 22932964 IBXSANWQGOKPMF-QGZVFWFLSA-N 417.962 3.468 0 40 HGAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)OCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 23054932 FANBYXPNDQAUPQ-VIFPVBQESA-N 424.240 3.112 0 40 HGAB Cn1c(=O)[nH]c(=O)c2cc(C(=O)Nc3cc(Cl)ccc3Oc3ccccc3)cnc21 25666739 BFVPCRSACTYQRL-UHFFFAOYSA-N 422.828 3.320 0 40 HGAB COc1cc(/C=C/C(=O)NCc2cccc(Cn3ccnc3)c2)cc2c1OCCO2 30584772 DEAYVHSRNJVOHX-AATRIKPKSA-N 405.454 3.041 0 40 HGAB CCOc1ccc([C@H](C)NC(=O)[C@@H](C)N(c2ccc(C)cc2)S(C)(=O)=O)cc1 30858249 GJXPNUVLFNLYKQ-DLBZAZTESA-N 404.532 3.426 0 40 HGAB CC(=O)c1ccccc1NS(=O)(=O)c1cc(C(=O)O)sc1Br 32586854 XZRHYKRUAXEXSR-UHFFFAOYSA-N 404.263 3.212 0 40 HGAB O=C(O)[C@@H]1Sc2[nH]c(=O)sc2[C@H](c2ccco2)[C@@H]1C(=O)c1ccc(F)cc1 32597846 VLJQADBFDVUVNF-LALPHHSUSA-N 405.428 3.358 0 40 HGAB COc1ccc(-c2noc(-c3ccc(=O)n(CC(=O)NC4CCCCC4)c3)n2)cc1 33293169 IWAJBVDYOHYEHM-UHFFFAOYSA-N 408.458 3.023 0 40 HGAB C[C@H]1CCC[C@@]2(C)C[C@H]3OC(=O)[C@H](CN4CCN(C(=O)c5ccco5)CC4)[C@@H]3C=C12 36507693 MQSZZIBOTGMDJA-XSNMQSCQSA-N 412.530 3.352 0 40 HGAB CCOc1cc([C@@H]2CC(=O)N=C3NC=NN32)ccc1OCCOc1ccccc1C 38200075 HOEUXIDEMPPYPC-KRWDZBQOSA-N 408.458 3.027 0 40 HGAB CCc1ccccc1NC(=O)[C@@H]1CCN(S(C)(=O)=O)c2cc(Cl)ccc2O1 38833687 HKOWLVDBEAHSQD-SFHVURJKSA-N 408.907 3.458 0 40 HGAB COc1ccc(CNC(=S)NCc2ccc(CN3C[C@H](C)O[C@H](C)C3)cc2)cc1 40087580 DHMQELWHEVZHFK-HDICACEKSA-N 413.587 3.469 0 40 HGAB CC(=O)Nc1cc(C)nn1-c1ccc(NS(=O)(=O)c2c(F)cccc2F)cc1 40090977 SWCOUVAQUBVYRS-UHFFFAOYSA-N 406.414 3.218 0 40 HGAB CCOc1ccccc1N(CC(=O)N(C)Cc1ccc(Cl)cc1)S(C)(=O)=O 44850537 QUJVGTGNSWGMHW-UHFFFAOYSA-N 410.923 3.163 0 40 HGAB O=C(Nc1cc(F)ccc1C(=O)NCc1cccnc1-n1cccn1)c1ccoc1 48234544 PZYDKUDHLZYSBR-UHFFFAOYSA-N 405.389 3.182 0 40 HGAB O=S(=O)(NCc1ccccc1Cl)c1ccc(I)cc1 48430096 YXGAVSYBDRGWDL-UHFFFAOYSA-N 407.660 3.423 0 40 HGAB COc1ccc(CC(=O)O)cc1S(=O)(=O)Nc1ccc(C)c(C(F)(F)F)c1 57116742 PTIIOYFTYJOCDW-UHFFFAOYSA-N 403.378 3.450 0 40 HGAB CCCCOc1ccc(C(=O)NCC(=O)N[C@H](C)CN2C[C@@H](C)C[C@H](C)C2)cc1 58201876 DCXBKGOVZDHQPG-GBESFXJTSA-N 403.567 3.078 0 40 HGAB Cc1noc(C)c1CSCC(=O)N(C)C1CCN(CCc2ccncc2)CC1 58367555 CRXXBGDCBMLDIK-UHFFFAOYSA-N 402.564 3.085 0 40 HGAB Cc1cc(C(=O)N2CCN(C(=O)Nc3cnc4c(cnn4C(C)C)c3)CC2)c(C)o1 58440724 YHIDTFGJZCHLJH-UHFFFAOYSA-N 410.478 3.212 0 40 HGAB COc1ccc(-c2cc(=O)n3c4ccccc4n(CC(=O)NC4CCCC4)c3n2)cc1 65305039 CHZDXYDPJGIXLR-UHFFFAOYSA-N 416.481 3.384 0 40 HGAB C[C@H]1CN(Cc2ccccc2CNC(=O)c2ccc(-c3ccco3)[nH]c2=O)C[C@H](C)O1 70037800 SRUSDMRZISTUJL-IRXDYDNUSA-N 421.497 3.174 0 40 HGAB CCOc1ccc(S(=O)(=O)NCCN2CCC(c3cccs3)CC2)cc1F 77104201 OYOXXQIBXCQNSB-UHFFFAOYSA-N 412.552 3.444 0 40 HGAB O=C(NCc1nc2ccccc2[nH]1)c1ccc(NS(=O)(=O)c2cccs2)cc1 84585235 UZLGIUZEVZQRGL-UHFFFAOYSA-N 412.496 3.355 0 40 HGAB CC(C)[C@H](NS(=O)(=O)c1ccccc1)C(=O)N1Cc2ccccc2C(C)(C)C1 89891069 DGDIQFZDNSMODZ-FQEVSTJZSA-N 400.544 3.310 0 40 HGAB CC(C)NC(=O)CN(C)C(=O)C(C)(C)[C@H](O)c1cccc(OCc2ccccc2)c1 95441916 ASZHZVIPFYXWME-JOCHJYFZSA-N 412.530 3.308 0 40 HGAB Cc1ccc(S(=O)(=O)N[C@H](CN2C[C@H](CO)CC[C@@H]2C)c2ccccc2)cc1 95452735 DTNOJFNBTQNVPA-NNMXDRDESA-N 402.560 3.107 0 40 HGAB CC(=O)c1cc(Br)ccc1NS(=O)(=O)c1cnc2c(c1)c(C)nn2C 96009478 UMBGPMAFJBXLBQ-UHFFFAOYSA-N 423.292 3.043 0 40 HGAB O=C1NCCN(C(=O)c2cc(Cl)c3c(c2)OCCO3)[C@@H]1c1ccccc1Cl 96010168 FWXXOTVSUFAKPU-MRXNPFEDSA-N 407.253 3.078 0 40 HGAB O=C(NCCc1cccnc1)c1nc(-c2cn(Cc3cccnc3)cn2)n2ccccc12 96088229 RDWJRXUIGCAULQ-UHFFFAOYSA-N 423.480 3.009 0 40 HGAB COC(=O)C1=C(C)NC(C)=C(C(=O)OC[C@@H]2CCCO2)[C@H]1c1cccc(Cl)c1 100164020 LQEWPGRSSVICNO-LPHOPBHVSA-N 405.878 3.470 0 40 HGAB O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C(=O)N1CN(C(=O)C(F)(F)F)c1cccc(Cl)c1 100395259 PKABERWKDXAODB-JQOWZUPLSA-N 424.806 3.246 0 40 HGAB O=C(COC(=O)c1cccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1)c1ccc(F)cc1 102081175 ZXDKABSUMMRFPJ-VUEDXXQZSA-N 419.408 3.177 0 40 HGAB CC[C@@H](C(=O)N[C@H](C)c1ccc(OC)cc1)N(c1ccccc1F)S(C)(=O)=O 113967811 BXTAMBVYTOYKEX-KDOFPFPSSA-N 408.495 3.256 0 40 HGAB Cc1cccc(N([C@H](C)C(=O)N[C@@H](C)COc2ccccc2C)S(C)(=O)=O)c1 220149364 WUMSUVHYPKFRKQ-ZWKOTPCHSA-N 404.532 3.042 0 40 HGAB COc1ccc(NC(=O)[C@H](C)N(c2cccc(F)c2)S(C)(=O)=O)cc1Cl 220471249 SVQNEVSFRSCCNK-NSHDSACASA-N 400.859 3.281 0 40 HGAB COc1cccc(CCCNC(=O)CCCN(c2ccccc2C)S(C)(=O)=O)c1 222559276 PNVIOYBPTIMGFD-UHFFFAOYSA-N 418.559 3.299 0 40 HGAB CNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CSCc1ccccc1F 222868695 JQDYPSKIQNPBNI-OAHLLOKOSA-N 404.507 3.231 0 40 HGAB CCNC(=O)c1cc(S(=O)(=O)NCc2ccc(C(C)(C)C)cc2)ccc1OC 223879006 XSUQSCZPLDFUCI-UHFFFAOYSA-N 404.532 3.221 0 40 HGAB CC[C@@H](C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)COc1ccc(OC)cc1 225420823 IMEAAMQNGYCWSO-MOPGFXCFSA-N 412.530 3.449 0 40 HGAB Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)NCc2ccc(Cl)cc2)s1 225676441 WILMSNBCDHOYTP-UHFFFAOYSA-N 422.919 3.231 0 40 HGAB CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1 225777422 WNIKYLHSBASXPX-UHFFFAOYSA-N 404.919 3.460 0 40 HGAB CN(C)C(=O)[C@@]1(c2ccccn2)CCCN(Cc2cccc(Oc3ncccn3)c2)C1 257270624 MUYXBLNNFDBUIL-DEOSSOPVSA-N 417.513 3.286 0 40 HGAB Cc1cc(F)ccc1-c1cnc(N(C)C)nc1[C@H]1CCCN(C(=O)Cn2cccn2)C1 257279160 OFGOLQCSOBRCGH-KRWDZBQOSA-N 422.508 3.260 0 40 HGAB CC(C)(C)c1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)NCC1=CCCCC1)O2 260853487 YXLKEDRYSJUMCY-LJQANCHMSA-N 406.548 3.128 0 40 HGAB S=C1N[C@H](c2ccccn2)[C@H](c2cccn2C[C@H]2CCCO2)N1C[C@H]1CCCO1 260922713 RHNMNDDUBMMESE-DGQTTZFYSA-N 412.559 3.214 0 40 HGAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@@H](C)c2ccccc2)cc1Cl 408598215 YBDYKOMGDNSONN-KBPBESRZSA-N 410.923 3.283 0 40 HGAB CCOc1ccc(S(=O)(=O)Nc2ccc(OC)c(OC)c2)cc1NC(=O)CC 408696854 FIDCGUJIZDCDGY-UHFFFAOYSA-N 408.476 3.252 0 40 HGAB Cc1sc(-n2cnnn2)c(C(=O)Nc2n[nH]c(-c3ccc(F)c(Cl)c3)n2)c1C 524735518 HFPMDXVJNMMFLV-UHFFFAOYSA-N 418.845 3.171 0 40 HGAB Cc1cc(C)n2nc(C)c(C(=O)N3CC[C@@]4(CCN(Cc5ccccc5)C4)C3)c2n1 553125351 HOSIADULJMPNOV-XMMPIXPASA-N 403.530 3.393 0 40 HGAB COc1ccc2ccccc2c1CCC(=O)NCc1nccnc1-c1cnn(C)c1 575618497 AVBVMXLMSOWDPV-UHFFFAOYSA-N 401.470 3.288 0 40 HGAB Cc1ccc(OCC(=O)N2CCC3(CC2)CO[C@H](CN(C)Cc2cccnc2)C3)cc1 585104170 MDCXQIOADCRQPI-QHCPKHFHSA-N 423.557 3.299 0 40 HGAB Cc1c(C(=O)N2CCN(C(=O)c3cnc4[nH]cnc4c3)CC2)sc2ccccc12 677895922 ZEVXVNFFBNMPAW-UHFFFAOYSA-N 405.483 3.079 0 40 HGAB COc1ccc(CN2CCC3(CC2)OC(=O)N2CCN(Cc4ccccc4)C[C@@H]23)cc1 1549161003 CRROQOJHDIOZTO-HSZRJFAPSA-N 421.541 3.366 0 40 HGAB COc1cnccc1C(=O)N1CCC2(CC1)C[C@@H](C(=O)N1CCCC1)c1ccccc12 1565554329 XQDDOWBLZDVKFT-HXUWFJFHSA-N 419.525 3.374 0 40 HGAB CC(C)N1CCC(N2CC[C@H](c3c(C(=O)N(C)C)sc4nccnc34)C2)CC1 1615154662 GZTIZXZOXOBCKC-HNNXBMFYSA-N 401.580 3.055 0 40 HGAB CC(C)(C)c1ccc(N2C[C@@H]3CN(C(=O)c4cc(-c5cccnc5)on4)C[C@H]3C2)nn1 1888897207 PWUVNPVUHWXLGA-IAGOWNOFSA-N 418.501 3.033 0 40 HGAB CC(C)(C)c1cn2nc(N3CCCN(c4ncnc5cnccc45)CC3)ccc2n1 2087063083 SUHFXJWWCMITJZ-UHFFFAOYSA-N 402.506 3.082 0 40 HGAB Cc1cccc2cc([C@H](c3nnnn3Cc3ccc(F)cc3)N3CCCC3)c(=O)[nH]c12 909450 CROFLWJNJBTWEG-OAQYLSRUSA-N 418.476 3.196 0 40 HGAB O=C(Nc1ccc(I)cc1)[C@@H]1CC(=O)N(c2ccccc2)C1 1107896 DZTZCBCOILIFEN-GFCCVEGCSA-N 406.223 3.283 0 40 HGAB COc1cc(C[C@@H](C(=O)O)[C@@H](C)C(=O)c2ccc3c(c2)OCO3)cc(OC)c1OC 1668742 OZTLVHLVDYEZNN-IUODEOHRSA-N 416.426 3.203 0 40 HGAB COc1cc(C(=O)NC(=S)Nc2ccccc2N2CCCC2)cc(OC)c1OC 2341255 RGAKINVIMHKTBV-UHFFFAOYSA-N 415.515 3.439 0 40 HGAB Cc1noc(C)c1COc1ccc(C(=O)OCCN2C(=O)c3ccccc3C2=O)cc1 2619285 PEMYUNWEJKAUTM-UHFFFAOYSA-N 420.421 3.323 0 40 HGAB Cc1ccc(S(=O)(=O)c2nnn3c2nc(N2CCCCC2)c2ccccc23)cc1 2690466 QZUKQFPYPKDEJO-UHFFFAOYSA-N 407.499 3.409 0 40 HGAB aggregator Cc1nn(C)c(C)c1CNC(=O)[C@H](C)n1nc(C(F)F)c(Br)c1C 2781862 ADRIKOGPLNULJF-JTQLQIEISA-N 404.259 3.119 0 40 HGAB O=C(c1cc2ccccc2o1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 3556694 YFNVUALGQSZPEW-UHFFFAOYSA-N 404.875 3.233 0 40 HGAB Cn1c(=O)c2c(SCc3ccc(F)cc3)nc(-c3cccs3)nc2n(C)c1=O 4139187 CYVBLGZZOFKCIL-UHFFFAOYSA-N 414.487 3.187 0 40 HGAB O=C(c1cccs1)[C@@H]1[C@H](c2ccc(F)cc2)NC(=S)N[C@]1(O)C(F)(F)F 4387919 STEYOCFEPKCBKG-SLEUVZQESA-N 404.410 3.156 0 40 HGAB Cc1cn2c3c(=O)n(C/C=C/c4ccccc4)c(=O)n(C)c3nc2n1C1CCCC1 4945198 NDPNBNKXVXPUSL-DHZHZOJOSA-N 403.486 3.286 0 40 HGAB CCCCOC(=O)c1ccc(NC(=O)COC(=O)COc2ccccc2F)cc1 4979873 MBTMQTJRRSYWLE-UHFFFAOYSA-N 403.406 3.343 0 40 HGAB COc1ccc(CCNC(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2)cc1OC 5032064 XCJLWUAGVOSJQU-SILNSSARSA-N 420.465 3.427 0 40 HGAB CCCc1nnc(NC(=O)CCC(=O)N2CCN(c3cccc(C)c3C)CC2)s1 5148595 CRMQRYPMTOZHIY-UHFFFAOYSA-N 415.563 3.175 0 40 HGAB Cc1ccc2nc(C3CCN(S(=O)(=O)c4ccc5c(c4)OCCO5)CC3)[nH]c2c1 5626076 UGWOIWCJEUUSKI-UHFFFAOYSA-N 413.499 3.211 0 40 HGAB C[C@@H](OC(=O)/C=C/c1cccc(C(F)(F)F)c1)C(=O)Nc1ccc(C(N)=O)cc1 5655627 YFCVLKHTNWUSRE-SBKJXLNCSA-N 406.360 3.388 0 40 HGAB COCCCNC(=O)Cn1cc(/C=C2/C(=O)N(C)c3ccccc32)c2ccccc21 6412115 PMIXFOBQBLOCQJ-XSFVSMFZSA-N 403.482 3.311 0 40 HGAB Cc1ccc(Cl)cc1NC(=O)COc1ccccc1[C@H]1CC(=O)Nc2ncnn21 6503863 HUIXQPFYXDMPNX-MRXNPFEDSA-N 411.849 3.189 0 40 HGAB CC(C)[C@H](C(=O)O)N1CC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C1=O 6564283 PEMHOAIHPQJNIM-NHCUHLMSSA-N 422.481 3.235 0 40 HGAB CCOC(=O)c1ccc(NC(=O)CSc2nncn2-c2ccc(OC)cc2)cc1 6620308 DMQIJEVXDJRFCL-UHFFFAOYSA-N 412.471 3.183 0 40 HGAB CS(=O)(=O)N1CCCc2cc(C(=O)Nc3cccc(Br)c3)ccc21 6767102 GJKQBSHNXRSBSQ-UHFFFAOYSA-N 409.305 3.414 0 40 HGAB CCN(CC(=O)Nc1ccccc1OC)C(=O)[C@@H]1CC(=O)N([C@H](C)c2ccccc2)C1 7735543 PMOOBPKOCZGAEU-IEBWSBKVSA-N 423.513 3.092 0 40 HGAB O=C(/C=C/c1cccs1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 7803774 GBALVAZJOXHYCD-CSKARUKUSA-N 412.536 3.448 0 40 HGAB Cc1nn(C)c(C)c1NC(=O)CNC(=O)c1ccc2c(c1)nc(C)n2-c1ccccc1 8134720 KYUALLRMFILBKF-UHFFFAOYSA-N 416.485 3.053 0 40 HGAB O=C(Nc1ccccc1N1CCOCC1)[C@H]1CCCN(C(=O)Nc2ccccc2)C1 8156303 VDUIAXRURVDODI-SFHVURJKSA-N 408.502 3.406 0 40 HGAB CC(=O)c1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccc(Cl)cc2)cc1 8414612 IAMKNTWDYDKNLX-UHFFFAOYSA-N 402.834 3.443 0 40 HGAB Cc1nnc(NC(=O)CCCC(=O)OCC(=O)Nc2ccc(C)c(Cl)c2)s1 8474503 TWRFPVRWPIMZNO-UHFFFAOYSA-N 410.883 3.099 0 40 HGAB Cc1ccc(C)n1NC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)cc1 8475599 XYWCMPIQIRRSEU-GOSISDBHSA-N 420.469 3.069 0 40 HGAB O=C(COc1cccc(-n2cnnn2)c1)N[C@@H](c1ccc(F)cc1)c1cccs1 8562098 KXEIDXJGRZALGG-FQEVSTJZSA-N 409.446 3.148 0 40 HGAB Cc1ccccc1OCC(=O)OCc1cc(=O)n2nc(-c3cccs3)sc2n1 8605620 KCOIYZXRVQJPLZ-UHFFFAOYSA-N 413.480 3.310 0 40 HGAB COc1cccc(-n2ccnc2SCC(=O)Nc2ccccc2N2CCOCC2)c1 8725522 NHWBOQMOGOVUPE-UHFFFAOYSA-N 424.526 3.448 0 40 HGAB COc1ccc(-c2coc3cc(OCC(=O)N4C[C@@H](C)O[C@H](C)C4)ccc3c2=O)cc1 8991373 UKNKVDUJKXHXEN-HZPDHXFCSA-N 423.465 3.483 0 40 HGAB biogenic CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccco3)o2)cc1 9427865 YHQACKQQRDKCTH-UHFFFAOYSA-N 424.438 3.407 0 40 HGAB O=C(COC(=O)c1cc(=O)[nH]c2ccccc12)c1ccc(OC(=O)c2ccco2)cc1 9499454 XZYCWIUJEXHWPU-UHFFFAOYSA-N 417.373 3.380 0 40 HGAB O=C(CSC1=NS(=O)(=O)c2cc(Cl)ccc2N1)Nc1ccc(F)cc1F 9761973 KFYMZPWBFAWKLD-UHFFFAOYSA-N 417.846 3.460 0 40 HGAB CS(=O)(=O)Nc1cccc(CNC(=O)c2occc2COc2ccccc2)c1 10549071 ZDOKLWVTRABIKI-UHFFFAOYSA-N 400.456 3.160 0 40 HGAB COc1cccc2[nH]c(C(=O)NCCC(=O)NCCc3c[nH]c4ccccc34)cc12 11867269 WDDFTFHHYHFQGU-UHFFFAOYSA-N 404.470 3.137 0 40 HGAB biogenic Cc1ccc(-c2cc(C(=O)N(Cc3ccco3)[C@@H]3CCS(=O)(=O)C3)no2)cc1 11916438 BIKNSJULKUDTGP-MRXNPFEDSA-N 400.456 3.073 0 40 HGAB O=C(Cc1ccc2c(c1)OCO2)N1CCC(c2ncncc2-c2ccncc2)CC1 12118673 NVVKOCMCPJXCTA-UHFFFAOYSA-N 402.454 3.216 0 40 HGAB COC(=O)c1ccc(S(=O)(=O)Nc2ccc3nc(N4CCCC4)sc3c2)cc1 12561145 BSOKIYMQOCMGNU-UHFFFAOYSA-N 417.512 3.484 0 40 HGAB CN(CC(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl)Cc1ccccc1 13060761 PXSXNEBDGQQVJF-UHFFFAOYSA-N 421.950 3.195 0 40 HGAB NC(=O)c1cc2ccccc2nc1C1CCN(C(=O)COc2cccc(F)c2)CC1 13267634 AQFPTUXTUMOFOF-UHFFFAOYSA-N 407.445 3.258 0 40 HGAB CCOc1cc(NC(=S)NC[C@H]2CCCO2)c(OCC)cc1NC(=O)C1CC1 13634424 PTJZUGZWUNSMHS-CQSZACIVSA-N 407.536 3.298 0 40 HGAB CS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)C1 13791317 KFMYPGJZRQNQNF-HNNXBMFYSA-N 420.918 3.181 0 40 HGAB CC(=O)NC12C[C@H]3C[C@@H](C1)CC(C(=O)OCC(=O)c1[nH]c(C)c(C(C)=O)c1C)(C3)C2 14017580 CJTVCWDQMTXDES-WDXRGRCHSA-N 414.502 3.035 0 40 HGAB CCN(CC)C(=O)c1cc(O)nc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc12 15480304 LROWBUCGZPDVSA-UHFFFAOYSA-N 417.462 3.362 0 40 HGAB CNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)c1 15544080 YAXQFTOAKZMHCC-MRXNPFEDSA-N 401.513 3.182 0 40 HGAB CCOC(=O)C1=C(COc2c(Cl)cc(Cl)c3ccc(C)nc23)NC(=O)NC1 16209647 NCTVHPSPYDINDT-UHFFFAOYSA-N 410.257 3.359 0 40 HGAB Cc1cccc(C)c1NC(=O)COc1ccc(S(=O)(=O)N2CCCCC2)cc1 16362282 MNDUWYQAKOUJKZ-UHFFFAOYSA-N 402.516 3.496 0 40 HGAB CCOC(=O)c1c(NC(=O)CN(C)Cc2cccc(Cl)c2)sc(C(N)=O)c1C 16632080 NUNLSZAPKIPCBE-UHFFFAOYSA-N 423.922 3.056 0 40 HGAB CCOc1ccc(-c2ccc(=O)n(Cc3nc(-c4ccc5c(c4)OCO5)no3)n2)cc1 16845911 CBOMHSFGVWATAK-UHFFFAOYSA-N 418.409 3.136 0 40 HGAB Cc1ccc(S(=O)(=O)Nc2nc(CC(=O)NCc3ccccc3)cs2)cc1 17051044 CVOUFACSMBNPOU-UHFFFAOYSA-N 401.513 3.111 0 40 HGAB Cc1cc2n(n1)[C@@H](C(F)F)C[C@@H](C1CCN(C(=O)[C@H](C)N3CCCCC3)CC1)N2 19128365 PEKWZKUYLHYDLI-RYQLBKOJSA-N 409.525 3.295 0 40 HGAB O=C(c1cc(C2CCN(Cc3ccccc3Cl)CC2)no1)N1CCC[C@@H](O)C1 19348887 TWTKSXJCSDBQCT-QGZVFWFLSA-N 403.910 3.305 0 40 HGAB O=c1[nH]c(-c2ccccn2)nc2c1CCN(Cc1cccn1-c1ccc(F)cc1)C2 19402343 KRTOWABDFDPQBN-UHFFFAOYSA-N 401.445 3.320 0 40 HGAB CC1CCC(N2CCc3nc([C@@H]4CCCN4C(=O)c4ccccn4)nc(O)c3C2)CC1 19496003 RUAJNDJQTKWXQR-BPZDKFOGSA-N 421.545 3.491 0 40 HGAB CCC[C@@]1(C(=O)OCC)N[C@@H](c2ccccc2F)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 19502064 BMJHXWPMQWXXQF-CMCWBKRRSA-N 424.472 3.378 0 40 HGAB COc1ccc([C@@H]2c3nc[nH]c3CCN2C(=O)c2ccc(N3CCOCC3)cc2)cc1 19660156 CFYPYQKUZQIKFO-HSZRJFAPSA-N 418.497 3.043 0 40 HGAB COc1cc(Cl)cc2cc(C(=O)N3CCN(Cc4ccccc4)CC3)c(=O)oc12 19804427 PNNRBSGGZJQNHP-UHFFFAOYSA-N 412.873 3.413 0 40 HGAB O=C(O)c1cccnc1S[C@H]1CC(=O)N(c2ccc(OC(F)(F)F)cc2)C1=O 19881891 JGZKUTSKWGUGBS-LBPRGKRZSA-N 412.345 3.103 0 40 HGAB COc1ccc(-c2ccc(CO)o2)cc1NC(=S)NC(=O)COc1ccccc1 20153598 AEZZHGUZRUXKBO-UHFFFAOYSA-N 412.467 3.340 0 40 HGAB CN(CCCC(=O)NCc1cccc(C(F)(F)F)c1)S(=O)(=O)c1cccs1 21333741 FDENDOHHRWWAIQ-UHFFFAOYSA-N 420.478 3.484 0 40 HGAB C[C@H](Sc1nnc(C2CC2)n1Cc1ccco1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 22040405 FRULPFBFVPWVON-NSHDSACASA-N 424.486 3.086 0 40 HGAB CC(C)CNC(=O)COc1ccc(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1 22231998 ULYDPMGBGDRWQG-UHFFFAOYSA-N 424.950 3.457 0 40 HGAB COc1ccccc1N1CCN(C[C@H](O)COCC23CC4CC(CC(C4)C2)C3)CC1 23115036 ZYNATUNTWGFCSD-UQQXROCHSA-N 414.590 3.411 0 40 HGAB COc1ccc(CN2CCN(C(=O)c3cncn3-c3ccc(F)cc3)CC2)cc1F 23738117 QVMVPBGNCACSAK-UHFFFAOYSA-N 412.440 3.117 0 40 HGAB Cc1nn(C)c2ncc(C(=O)OCc3nnc(-c4ccc(Br)o4)o3)cc12 24148961 FKBHXZKJVTYFKF-UHFFFAOYSA-N 418.207 3.039 0 40 HGAB Cc1cccc(C(=O)Nc2nc(-c3ccc(N(C)S(C)(=O)=O)cc3)cs2)n1 25086277 CEKAGNBUYBVALT-UHFFFAOYSA-N 402.501 3.162 0 40 HGAB CC(C)n1cnnc1SCC(=O)NCCNc1ncc(C(F)(F)F)cc1Cl 25829727 SERYYFITUAIFGY-UHFFFAOYSA-N 422.864 3.247 0 40 HGAB Cc1ccc([C@H](CN2CCOCC2)NC(=O)c2cnn(-c3ccccc3)c2C)cc1 27144033 HWNCNKZJTBODHN-QHCPKHFHSA-N 404.514 3.292 0 40 HGAB CNC(=O)c1ccc(CN(Cc2ccco2)S(=O)(=O)c2ccc(F)c(F)c2)cc1 32760579 LEROGTJMNQXYEY-UHFFFAOYSA-N 420.437 3.309 0 40 HGAB COc1ccc(-c2cc(C(=O)NC[C@H](C)Cn3cccn3)c3c(C)nn(C)c3n2)cc1 36613446 NBNWFRQACYCTHA-HNNXBMFYSA-N 418.501 3.215 0 40 HGAB CC[C@@H](CCNS(=O)(=O)c1cn(C(F)F)nc1C)n1ccc(C(F)(F)F)n1 36615152 LVGSHGRNRPZMJG-JTQLQIEISA-N 415.388 3.122 0 40 HGAB O=C(c1cccs1)N1CCN(CCNC(=O)C2(c3cccs3)CCCC2)CC1 38680378 ZVDNMFNZSIYUJO-UHFFFAOYSA-N 417.600 3.196 0 40 HGAB Cc1nc2nc(SCC(=O)N(C)Cc3ccc(OC(F)F)cc3)nn2c(C)c1C 40119247 VWYIZFUEVXDFAZ-UHFFFAOYSA-N 421.473 3.402 0 40 HGAB C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)NCCCN2CCN(C(=O)OC(C)(C)C)CC2)o1 40119356 BRNMUYUTPMOACZ-FXYAVYNXSA-N 417.550 3.475 0 40 HGAB O=C(CCCC(=O)N1CCN(c2ccc(F)cc2)CC1)Nc1nnc(C2CC2)s1 40288258 PKOWIZICSNAXKH-UHFFFAOYSA-N 417.510 3.012 0 40 HGAB Cn1nc(C(=O)NCCc2ccccc2)c(F)c1NC(=O)c1ccccc1Cl 41070592 MPZLRGCUZSVYOV-UHFFFAOYSA-N 400.841 3.437 0 40 HGAB CNC(=O)Cc1ccc(NC(=O)[C@@H](NC(=O)c2ccc(Cl)cc2)C(C)C)cc1 48236038 RWXBYWMDIUPNST-IBGZPJMESA-N 401.894 3.022 0 40 HGAB CC(C)C[C@@H]1N[C@H](C(=O)NC2CC2)Cc2cn(Cc3nccn3C)c3cccc1c23 49171757 UHIFOSGMSKLMSJ-PMACEKPBSA-N 405.546 3.303 0 40 HGAB biogenic,in-vitro O=C(CN1CCN(c2ccc(F)cc2)CC1)Nc1ccccc1C(=O)NC1CCCC1 57363708 QCEUMJSJIWCDID-UHFFFAOYSA-N 424.520 3.259 0 40 HGAB CC(C)N1CCN(c2ccc(C(=O)N3CCN(C)C[C@@H]3c3ccccc3)cc2)CC1 58010263 IOMHXGCVADPHMV-XMMPIXPASA-N 406.574 3.346 0 40 HGAB CCCCn1c(SCC(=O)Nc2ccc3c(c2)OCO3)nc2cc(C)[nH]c2c1=O 67238495 MSBUSKMHPNHIGB-UHFFFAOYSA-N 414.487 3.293 0 40 HGAB CCN(CC)[C@H](CNC(=O)[C@@H]1CCCN1C(=O)CC(C)(C)C)Cc1ccccc1 69491397 FSIIREQSOCKLCF-SFTDATJTSA-N 401.595 3.483 0 40 HGAB CCCCOc1ccccc1-c1cc(C(=O)N2CCN(C(=O)c3ccco3)CC2)[nH]n1 71009453 ZCVKXWQRSREZHL-UHFFFAOYSA-N 422.485 3.447 0 40 HGAB CCOc1ccccc1NC(=O)c1nnn(CC(=O)Nc2ccc(C)cc2C)c1C 71327214 VNEDOOKFIGNLGJ-UHFFFAOYSA-N 407.474 3.493 0 40 HGAB COc1ccc2c(c1)N[C@@]1(COC3(CCN(Cc4cnn(C)c4)CC3)C1)c1cccn1-2 72327217 ZYWFZUVKDIPSGT-DEOSSOPVSA-N 419.529 3.295 0 40 HGAB COc1ccc(-c2cccc([C@H]3CCCN(S(=O)(=O)c4cn(C)cn4)C3)n2)cc1 72350320 LOFBJGPLRFRHTH-KRWDZBQOSA-N 412.515 3.059 0 40 HGAB COCCn1cc(C(=O)NCCn2ccc3c(C)cccc32)c2ccccc2c1=O 72403191 BPZQYBSARSCXPB-UHFFFAOYSA-N 403.482 3.341 0 40 HGAB CCOC(=O)COc1ccc(OCCN(C)CC(=O)Nc2c(C)cccc2C)cc1 78949897 QWTSSLNXIRPSRZ-UHFFFAOYSA-N 414.502 3.195 0 40 HGAB CCOC(=O)CCN(C(=O)CCCc1nc(-c2ccc(OC)cc2)no1)C1CC1 84793432 BTDNEFSMKGAIIM-UHFFFAOYSA-N 401.463 3.012 0 40 HGAB O=C(c1ccc(Br)cc1F)N1CCC2(CC1)C[C@@H]2C(=O)N1CCCC1 95458862 SIYAEUKAKYBYMI-OAHLLOKOSA-N 409.299 3.453 0 40 HGAB CSc1ccc([C@H](O)CNS(=O)(=O)c2ccc(Br)s2)cc1 96103224 LPHMSENBTQYQHX-LLVKDONJSA-N 408.364 3.244 0 40 HGAB COC(=O)C[C@H](c1cc(OC)c(O)c(OC)c1)c1c(O)n[nH]c1Cc1ccccc1 96114285 GWWVCJSJVWLJIB-OAHLLOKOSA-N 412.442 3.124 0 40 HGAB biogenic COc1ccc2cc([C@H]3CC(=O)Oc4ccc5c(C)cc(=O)oc5c43)c(=O)n(C)c2c1 96221224 SYLUXPKILPUUAH-MRXNPFEDSA-N 417.417 3.403 0 40 HGAB biogenic O=C(c1ccc(C(F)(F)F)cc1)N1CCCn2c(CN3CCCCC3)nnc2C1 96259687 URKOHZUGDYYPGI-UHFFFAOYSA-N 407.440 3.329 0 40 HGAB C[C@H]1CN(C(=O)c2cc(-c3cnc(NCc4ccccc4)nc3)cn2C)C[C@@H](C)O1 96266349 XVEROEZTFDHZLP-CALCHBBNSA-N 405.502 3.344 0 40 HGAB Cc1cc(-c2cn(C)nc2[C@H]2CC[C@H](CNC(=O)c3snnc3C)CC2)on1 100744062 PXLIFYQHINPTOA-OKILXGFUSA-N 400.508 3.247 0 40 HGAB CCc1ccc(N2C(=O)[C@H]3N=NN(Cc4nc(-c5ccc(C)cc5)no4)[C@@H]3C2=O)cc1 101274985 HXQROEYSWXQPRW-OALUTQOASA-N 416.441 3.101 0 40 HGAB Cn1c(CN2CCSCC2)cc(=O)c(O)c1CN1C[C@@]2(C)C[C@H]1CC(C)(C)C2 101362595 PCEHZJKJJZXXTI-VGSWGCGISA-N 405.608 3.040 0 40 HGAB COc1cccc(-c2cc(C(F)(F)F)nc(S[C@@H]3CC(=O)[C@H]4OC[C@H]3O4)n2)c1 102998765 BOIQZGSNLVRFNN-FMKPAKJESA-N 412.389 3.346 0 40 HGAB COc1ccccc1N1C(=O)C[C@@H](N(C)Cc2ccc(Br)cc2)C1=O 103022525 KQNXEKYREFQCNM-MRXNPFEDSA-N 403.276 3.222 0 40 HGAB CCc1ccc(N(CCCC(=O)NCCSC(C)(C)C)S(C)(=O)=O)cc1 113961806 QOWAEFZPURIOLX-UHFFFAOYSA-N 400.610 3.443 0 40 HGAB O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@@H]34)[C@H]2C1=O)Nc1ccc(Oc2ccccc2)cc1 195751295 BHLDCODYWYEGSQ-NGJIECEZSA-N 414.461 3.471 0 40 HGAB COC(=O)[C@@H]1C[C@H](Oc2ccccc2F)CN1C(=O)Cc1c(F)cccc1Cl 206800892 VEVRKPAPLYXBLO-SJCJKPOMSA-N 409.816 3.382 0 40 HGAB CN(C)S(=O)(=O)c1ccc(C(=O)N2CCCC[C@H](c3ccc(F)cc3)C2)cc1 211079072 IDOZCIAWHCPDGO-SFHVURJKSA-N 404.507 3.486 0 40 HGAB CC[C@H](C(=O)NCc1ccccc1OC)N(c1cc(C)ccc1C)S(C)(=O)=O 220535633 RJVXXSKTDASDSO-GOSISDBHSA-N 404.532 3.173 0 40 HGAB CNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CSCc1ccc(OC)cc1 222875396 UYQDEFAYDMKNQO-KRWDZBQOSA-N 400.544 3.134 0 40 HGAB O=C(NCCCO)[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccccc1 223351607 IXSGVRMMGMBEGR-RUZDIDTESA-N 416.521 3.498 0 40 HGAB O=S(=O)(Cc1cccc(Br)c1)NCc1nc(-c2ccccc2)no1 223655609 YMOXQEVILWACNP-UHFFFAOYSA-N 408.277 3.119 0 40 HGAB Cc1cc(C)cc(N([C@H](C)C(=O)NCCOc2cc(C)ccc2C)S(C)(=O)=O)c1 223999509 LNXFUWVMQPTVOY-LJQANCHMSA-N 418.559 3.270 0 40 HGAB CCOc1ccc(C(=O)Nc2cnc(N3CCN(c4ccccc4)CC3)nc2)cc1 224257205 UXKNROFCCYNLBG-UHFFFAOYSA-N 403.486 3.454 0 40 HGAB Cc1ccc(OCCNS(=O)(=O)c2ccc(N3CCCC3=O)c(C)c2)c(C)c1 224375953 QKPRHBQAEBEFDG-UHFFFAOYSA-N 402.516 3.096 0 40 HGAB Cc1ccc(CCCNC(=O)CN(Cc2ccccc2Cl)S(C)(=O)=O)cc1 224575690 WQLIEAUZGHBCNO-UHFFFAOYSA-N 408.951 3.159 0 40 HGAB CCC(=O)N1CCc2cc(S(=O)(=O)Nc3nnc(-c4ccccc4)s3)ccc21 225756316 FMGZVWQQNZEZQD-UHFFFAOYSA-N 414.512 3.305 0 40 HGAB Cc1ccc(N(CN2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@@H]3C2=O)[C@@H]2C[C@H]42)C(=O)C(F)(F)F)c(C)c1 226408809 LVXFLKUWBMVGIP-FLMUCADWSA-N 418.415 3.209 0 40 HGAB O=S(=O)(c1cccc(Cl)c1)N1CCCC[C@@H]1c1nnc(-c2cnccn2)o1 257222035 DRPXPNIYMFNBJM-OAHLLOKOSA-N 405.867 3.096 0 40 HGAB CO[C@@H]1CN(CC(=O)Nc2nc(-c3ccc(F)cc3)c(C)s2)CC[C@]12CCCO2 257238040 HJIXAHIEYIXQGH-DYESRHJHSA-N 419.522 3.466 0 40 HGAB Cc1nn(C)cc1S(=O)(=O)N1CCC[C@@H](c2ncc(Cc3cccc(F)c3)o2)C1 257326636 WXZPMZMWANOLES-MRXNPFEDSA-N 418.494 3.015 0 40 HGAB O=C(CN1CCCCC1)N1CCC[C@]2(C[C@@H](Oc3ccc(F)c(Cl)c3)CO2)C1 257337610 YTNVHXRDVSUHSA-UTKZUKDTSA-N 410.917 3.494 0 40 HGAB Cc1cc(C)cc(N([C@H](C)C(=O)NCCOc2ccccc2Cl)S(C)(=O)=O)c1 260793140 KJWLKGQRZLVYPR-MRXNPFEDSA-N 424.950 3.307 0 40 HGAB Cn1nc(CNC(=O)Nc2cccc(F)c2)c2cc(C(=O)NC3CCC3)sc21 306127041 FMGDCIVCXJZTRL-UHFFFAOYSA-N 401.467 3.378 0 40 HGAB Cc1ccc(-c2ccc3c([C@@H]4CN(C(=O)c5cc(C)on5)CCN4C)nnn3c2)cc1 306137408 QVNNRIMCPKUEDN-NRFANRHFSA-N 416.485 3.130 0 40 HGAB Cc1cc(C)nc(O[C@@H]2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)C2)n1 390826951 CZYUMMWMKKVYLU-CYBMUJFWSA-N 402.303 3.242 0 40 HGAB COc1ccc(OC)c(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)c1 408871526 HBPNNSBVVYDUKC-KRWDZBQOSA-N 424.906 3.149 0 40 HGAB Cc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccccc3Cl)CC2=O)cc1C 409126068 AQEAROZJSYRYAA-OAHLLOKOSA-N 400.862 3.492 0 40 HGAB NC(=O)Cn1cc(/C=C2\SC(=O)N(CC(=O)c3ccccc3)C2=O)c2ccccc21 409128581 PTXMXGHWHJFAJT-GRSHGNNSSA-N 419.462 3.046 0 40 HGAB COc1ccc(S(=O)(=O)N(CC(=O)N2CCC(C)CC2)c2ccc(F)cc2)cc1 409411320 FYEMMXQABMLCEL-UHFFFAOYSA-N 420.506 3.288 0 40 HGAB C[C@H]1CCCN(C[C@H]2CC3(CCN(S(=O)(=O)Cc4ccccc4)CC3)CO2)C1 585104252 OSIPRLPMLDMORB-PZJWPPBQSA-N 406.592 3.119 0 40 HGAB CC(C)N1C[C@@H](c2ccccc2)[C@]2(CN(C(=O)Cc3cccc(F)c3)CCO2)C1=O 585107188 QWYNUXUHAYHALF-XUZZJYLKSA-N 410.489 3.000 0 40 HGAB Cc1ccccc1CN[C@@H]1C[C@@H](O)[C@H](CO)[C@H]1Cc1ccnc(-c2ccccc2)n1 604382217 LFOYBSNDJNLLIZ-MOUTVQLLSA-N 403.526 3.142 0 40 HGAB biogenic,in-vitro CC(C)(C)OC(=O)N1Cc2ccccc2[C@@H](C(=O)NCc2cc3c(nc2O)CCC3)C1 1584937736 PNTYWDBLADKLHR-IBGZPJMESA-N 423.513 3.427 0 40 HGAB Cc1noc(C)c1CN1CCC(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)CC1 1888869872 RTLFJXPTVABGLT-UHFFFAOYSA-N 423.483 3.492 0 40 HGAB O=C(c1cncc(Br)c1)N1C[C@H]2CCC[C@]2(COc2ncc(F)cn2)C1 1888879081 XSYVCKINZZNBNP-FZKQIMNGSA-N 421.270 3.095 0 40 HGAB COc1ccc(-c2coc3cc(O[C@@H](C)C(=O)O[C@@H](C)C(=O)O)ccc3c2=O)cc1 2060993730 GATVNPXCOWVCRX-STQMWFEESA-N 412.394 3.252 0 40 HGAB O=c1[nH]c2c(c(O)c1-c1ccccc1)c(=O)n(-c1ccccc1)c(=O)n2-c1ccccc1 704367 HLBWWKONOFXPNJ-UHFFFAOYSA-N 423.428 3.203 0 40 HGAB CC[C@@H](Oc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 804537 DIGPEQAGZSJXRL-GOSISDBHSA-N 412.471 3.074 0 40 HGAB O=C(/C(=C\c1ccc(OCc2ccccc2)cc1)n1ccccc1=O)N1CCOCC1 819335 XWIYARNICNFEIY-PTGBLXJZSA-N 416.477 3.284 0 40 HGAB Cc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1Cl 1985907 BDPJCGHHKNDPMK-INIZCTEOSA-N 400.862 3.179 0 40 HGAB O=C(NCc1ccc2c(c1)OCO2)c1ccc(NS(=O)(=O)c2cccs2)cc1 2460294 GPUMKAQMUBFPRE-UHFFFAOYSA-N 416.480 3.208 0 40 HGAB O=C(CSc1nnnn1-c1ccccc1)Nc1ccccc1C(=O)NC1CCCC1 3503974 XDIRVCZXZLCGEI-UHFFFAOYSA-N 422.514 3.066 0 40 HGAB CC(=O)Nc1ccc(S(=O)(=O)NCCc2csc(-c3ccccc3)n2)cc1 4166861 KZSBCKVFKBBPMT-UHFFFAOYSA-N 401.513 3.290 0 40 HGAB Cc1cc(C)cc(NC(=O)Cn2cnc3c(cnn3-c3cccc(C)c3C)c2=O)c1 4479190 CSORTBZZVYRCFI-UHFFFAOYSA-N 401.470 3.455 0 40 HGAB COc1ccc(N2C[C@H](C(=O)Nc3nnc(Cc4ccccc4)s3)CC2=O)cc1 4815860 UQUIKVBWXCCSAU-OAHLLOKOSA-N 408.483 3.129 0 40 HGAB CCC(C)(C)c1nnc(NC(=O)[C@@H]2CC(=O)N(CCc3ccc(F)cc3)C2)s1 4976204 PCASUFFDYSIBES-CQSZACIVSA-N 404.511 3.395 0 40 HGAB CCCNC(=O)[C@H]1CC(=O)N(c2ccc(OCC(=O)Nc3cc(C)ccc3C)cc2)C1 5864251 SQQBSQSEZABPLX-SFHVURJKSA-N 423.513 3.200 0 40 HGAB COc1ccc(Br)cc1[C@@H]1NC(=S)NC(C)=C1C(=O)OCC(C)C 6395205 IFJKAAIALBWSAQ-HNNXBMFYSA-N 413.337 3.450 0 40 HGAB CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc(C(=O)OC)cc2)ccc1C 6510018 QVEGMBMCMLMBOR-UHFFFAOYSA-N 404.488 3.064 0 40 HGAB COc1cc(CCC(=O)O[C@H](C)C(=O)N[C@@H]2CCCC[C@H]2C)cc(OC)c1OC 6639309 YWEMHMBMZBKCPF-BFYDXBDKSA-N 407.507 3.272 0 40 HGAB Cc1ccc(Nc2nc(N)nc(COC(=O)c3ccc(Br)o3)n2)cc1 6652755 ZYYAPUYHPQLSAZ-UHFFFAOYSA-N 404.224 3.218 0 40 HGAB CCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(C)cc2)c(NCC(C)C)s1 6751871 CQTCIVRDJNEXJS-UHFFFAOYSA-N 402.563 3.146 0 40 HGAB CCCOc1ccccc1C(=O)N(Cc1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 6810928 NWEWWTFPKGWONA-GOSISDBHSA-N 417.527 3.314 0 40 HGAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CCCc1c[nH]c2ccccc12 7723453 AKIJDTGLVIFTKD-UHFFFAOYSA-N 415.515 3.388 0 40 HGAB CCCCN(C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccccc1 7724383 OKLSKRQLCPDMOW-UHFFFAOYSA-N 402.516 3.154 0 40 HGAB CCOc1ccc(C(=O)N[C@@H](C(=O)Nc2ccc(OC)c(OC)c2)C(C)C)cc1 7981793 CDGCKYIOWGCWOW-HXUWFJFHSA-N 400.475 3.496 0 40 HGAB CCOc1cc2c(cc1CNC(=O)c1cccc(CN3CCCC3=O)c1)O[C@@H](C)C2 8193284 MSSXLMGOJUPYBJ-INIZCTEOSA-N 408.498 3.461 0 40 HGAB Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)cc1C 8423241 QWEJMBWZABNDEJ-UHFFFAOYSA-N 412.555 3.329 0 40 HGAB CC/C(Nc1cc(OC)ccc1OC)=C1/C(=O)NC(=O)N(c2ccccc2C)C1=O 9111465 CFLMJZXVTDGVKE-XDJHFCHBSA-N 409.442 3.371 0 40 HGAB CCOc1ccc(Nc2nc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)cs2)cc1 9208977 CIBGCRUOWQPDJM-UHFFFAOYSA-N 418.500 3.185 0 40 HGAB COc1ccc(Cc2nnc(SCC(=O)Nc3ccc(F)c(F)c3)n2C)cc1 9593958 DGQRKVVZVLFBMJ-UHFFFAOYSA-N 404.442 3.424 0 40 HGAB O=C(Nc1ccccc1Br)[C@H]1CCCN1S(=O)(=O)c1ccccc1 9614271 XZZMHIBTNVHFJD-MRXNPFEDSA-N 409.305 3.241 0 40 HGAB COc1cc(NC(=O)COc2ncnc3ccc(Br)cc23)cc(OC)c1 9980740 OZJKBVBGUUMNFF-UHFFFAOYSA-N 418.247 3.427 0 40 HGAB Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)N1CCN(c2ccccn2)CC1 10042834 KEPZUZHWXNJFCK-UHFFFAOYSA-N 414.513 3.176 0 40 HGAB CCOc1ccc(S(=O)(=O)NC[C@@H](c2cccn2C)N2CCCCCC2)cc1 11897756 DMBZFIOOCHAEQT-NRFANRHFSA-N 405.564 3.319 0 40 HGAB Cc1cc(-c2cncnc2[C@H]2CCCN(C(=O)c3ccc4c(c3)OCCO4)C2)on1 12118386 OTHLZLNFWFAOIH-INIZCTEOSA-N 406.442 3.231 0 40 HGAB COC(=O)c1c(N[C@]2(C(F)(F)F)N=C3SCCN3C2=O)sc2c1CCCC2 12417740 ZRFZGVOZDGBFLP-HNNXBMFYSA-N 419.450 3.029 0 40 HGAB O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCN(c2ccccc2)CC1)c1cccs1 12551942 JAFGWIQFZKAEQY-NRFANRHFSA-N 419.550 3.438 0 40 HGAB CCOC(=O)Nc1cccc(C(=O)O[C@@H](C)C(=O)c2ccc3c(c2)NC(=O)CO3)c1 12852971 GQRSFAHMCOVXMA-LBPRGKRZSA-N 412.398 3.014 0 40 HGAB COc1ccc([C@H](CNC(=O)CSc2ccccc2F)N2CCOCC2)cc1 12971869 ILHXOXFKDOERGT-IBGZPJMESA-N 404.507 3.116 0 40 HGAB C[C@H](OC(=O)c1ccc2c(c1)NC(=O)CS2)C(=O)N(C)Cc1cccc(F)c1 12976490 PSMKWBXBVWTTJF-LBPRGKRZSA-N 402.447 3.074 0 40 HGAB CCN(Cc1cccc(F)c1)C(=O)CN1CCN(c2cc(C)nc(C(C)C)n2)CC1 13007565 BKDOKWFWMPEVIS-UHFFFAOYSA-N 413.541 3.218 0 40 HGAB Cc1cc(-c2snnc2[C@H]2CCCN(C(=O)[C@H](C)Cn3nc(C)cc3C)C2)on1 13225375 JMKTUCOJIARYIR-WBMJQRKESA-N 414.535 3.357 0 40 HGAB COc1ccccc1C(=O)N[C@@]1(C(F)(F)F)N=C(O)N(c2ccc(C)cc2C)C1=O 13655524 VEJWEHJQIUTVDL-LJQANCHMSA-N 421.375 3.261 0 40 HGAB COc1ccc(S(=O)(=O)NCC2CCC(C(=O)Nc3ccc(O)cc3)CC2)cc1 13721162 XJRRXBDMXXVXBX-UHFFFAOYSA-N 418.515 3.124 0 40 HGAB CCn1c(CC(=O)Nc2ccccc2C)nnc1S[C@@H](C)C(=O)NC1CCCC1 13956659 OAVIYFRWADUSKG-HNNXBMFYSA-N 415.563 3.327 0 40 HGAB O=S(=O)(c1ccccc1Br)N1CCC[C@H]1c1nnc2ccccn12 14188401 QQFVBEVFPKOIOR-ZDUSSCGKSA-N 407.293 3.018 0 40 HGAB NC(=O)[C@H](NC(=O)c1cc(Br)c(Br)s1)c1ccccc1 14201642 IYWKVHCYLPLHDJ-SNVBAGLBSA-N 418.110 3.230 0 40 HGAB Cc1cccc(Cc2cnc(NC(=O)c3ccc(CN4C(=O)CNC4=O)cc3)s2)c1 14250479 SAESAFOKSDRDJE-UHFFFAOYSA-N 420.494 3.346 0 40 HGAB Cc1n[nH]c(C)c1NC(=O)c1ccc(NC(=O)Cc2ccc3oc(=O)oc3c2)cc1 14404528 TXLVJFKHCJNGGT-UHFFFAOYSA-N 406.398 3.159 0 40 HGAB CN1CCN(C(=O)CCc2nc(-c3ccc(F)cc3)no2)c2nc3ccccc3nc21 14901174 ZPHRKEPNYSDRAO-UHFFFAOYSA-N 418.432 3.235 0 40 HGAB Cc1ccc2nc(COC(=O)C3(c4ccc5c(c4)OCCO5)CCCC3)cc(=O)n2c1 16167756 HQUYQWVHGHGENG-UHFFFAOYSA-N 420.465 3.329 0 40 HGAB COC(=O)c1c(C)[nH]c(C(=O)NCCNc2ncc(C(F)(F)F)cc2Cl)c1C 18215738 JVLBOJCWAYMVDT-UHFFFAOYSA-N 418.803 3.327 0 40 HGAB Cc1nc2ccccc2c(=O)n1CCC(=O)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 19286602 ABMOHDAVDRJCSH-QGZVFWFLSA-N 415.497 3.378 0 40 HGAB COc1cccc(CNC(=O)c2cc([C@@H]3CCCN(Cc4cnn(C)c4C)C3)no2)c1 19553696 ZBFDUMZCRGZRER-GOSISDBHSA-N 423.517 3.035 0 40 HGAB Cc1cc(C)n(CC(=O)NCCn2nc(-c3ccc(F)cc3)cc2-c2cccnc2)n1 19573489 CHETUTBIPCIZRV-UHFFFAOYSA-N 418.476 3.381 0 40 HGAB Cc1nc2ncnn2c(C)c1CCC(=O)N1CCC[C@H](COc2ccc(F)cc2)C1 19578520 AGZTYMRMHBWXFN-KRWDZBQOSA-N 411.481 3.130 0 40 HGAB CNC(=O)[C@@]1(Cc2ccccc2-c2cncnc2)CCCN(Cc2ccncc2)C1 19591352 XFZFXKAKNNQKLP-XMMPIXPASA-N 401.514 3.110 0 40 HGAB CN(C)c1ncc(-c2ccc(C(N)=O)cc2)c([C@@H]2CCN(CCc3ccccc3)C2)n1 19694741 WFDUVGJFNHQQHM-OAQYLSRUSA-N 415.541 3.341 0 40 HGAB CNc1nc(C2CCN(C(=O)c3nccc4ccccc34)CC2)nc2c1CCN(C)C2 19710941 YOASMVJLDPDFRE-UHFFFAOYSA-N 416.529 3.074 0 40 HGAB O=C(Cn1cc(C(=O)NC2(c3ccccc3)CCCC2)ccc1=O)NC1CCCCC1 19749350 AZZYPSFBBDXBDV-UHFFFAOYSA-N 421.541 3.497 0 40 HGAB CCOc1cc(C(=O)OCc2cc(C)on2)ccc1OCC(=O)N1CCCCC1 20077135 BJUKXVBGFYDFQE-UHFFFAOYSA-N 402.447 3.130 0 40 HGAB CCn1c(=O)n(CC)c2cc(S(=O)(=O)Nc3ccc(Br)cc3)ccc21 20215020 YGWTWGYYTWRBAX-UHFFFAOYSA-N 424.320 3.406 0 40 HGAB CCCSc1nc(N2CCN(CCO)CC2)c2c3c(sc2n1)COC(C)(C)C3 20358170 HQWAZXNYPHQYPY-UHFFFAOYSA-N 422.620 3.159 0 40 HGAB Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H](C(=O)c2ccc(Cl)cc2)N2CCC[C@H]32)cc1 20502288 DNFVZNPHOQSYCX-IYWMVGAKSA-N 408.885 3.484 0 40 HGAB O=C(Cc1ccccc1)NCCc1ccc(S(=O)(=O)NC2CCCCC2)cc1 22226915 AUGMUZJFZDIKIT-UHFFFAOYSA-N 400.544 3.199 0 40 HGAB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NC[C@H](C(C)C)N(C)C)c2)cc1 23098510 REBRXFFBOZVICC-HXUWFJFHSA-N 403.548 3.112 0 40 HGAB COc1ccccc1N1CCN([C@@H]2CC(=O)N(c3cccc4ccccc34)C2=O)CC1 23409098 CJIBCAACAYXEBM-JOCHJYFZSA-N 415.493 3.303 0 40 HGAB CCCN1CCC(Nc2nc(CN3CCOCC3)nc3sc4c(c23)CCC4)CC1 23846974 CQAHNWPZZRHHRC-UHFFFAOYSA-N 415.607 3.299 0 40 HGAB Cc1ccccc1CNC(=O)C1CCN(S(=O)(=O)Cc2ccccc2C)CC1 24611058 XMXVGXOXJGQSCH-UHFFFAOYSA-N 400.544 3.162 0 40 HGAB Cc1ccc(C)c(S(=O)(=O)NCCNC(=O)Cc2coc3c(C)c(C)ccc23)c1 25123477 FSGPFSLPJLHEON-UHFFFAOYSA-N 414.527 3.304 0 40 HGAB O=S(=O)(c1ccccc1)N(C[C@@H](O)COCc1ccccc1F)c1nccs1 28086268 VKZXMFSVHBJSQY-MRXNPFEDSA-N 422.503 3.055 0 40 HGAB COc1ccc2cnn(CC(=O)Nc3ccc(Cl)cc3Cl)c(=O)c2c1OC 32071635 KSGYCYLWLCVCKU-UHFFFAOYSA-N 408.241 3.359 0 40 HGAB O=c1ccc2cc(S(=O)(=O)N(Cc3cccs3)C[C@@H]3CCCO3)ccc2o1 32759168 WWWSHQALPWLBOT-HNNXBMFYSA-N 405.497 3.224 0 40 HGAB Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)N1CCC(OCc2ccccc2)CC1 32851168 MIPUPAQNLAIMEB-HXUWFJFHSA-N 423.557 3.428 0 40 HGAB CCS(=O)(=O)Nc1ccc(C(=O)NCc2ccc(CN3CCCCC3)cc2)cc1 44874651 ISCJVXPVYCFMMF-UHFFFAOYSA-N 415.559 3.364 0 40 HGAB CC(C)CNC(=O)c1ccc(NC(=O)c2ccc(N3C[C@H](C)O[C@@H](C)C3)nc2)cc1 55563122 VBSLLOXBZKTMNL-IRXDYDNUSA-N 410.518 3.333 0 40 HGAB CCN(CC)C(=O)CSc1nc2ccsc2c(=O)n1Cc1ccc(OC)cc1 57425914 MTYWXCGIWFMCAS-UHFFFAOYSA-N 417.556 3.475 0 40 HGAB CCOC(=O)c1ccc(NC(=O)[C@H]2C[C@@H]3CCCN3[C@]23C(=O)Nc2ccccc23)cc1 57992085 RKQZVYFIUMOCFC-PDOGEWKWSA-N 419.481 3.134 0 40 HGAB biogenic CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)N1CCC[C@H](c2nnc3ccccn23)C1 58017939 RPKPIMQWCUEOQW-HFSMHLIXSA-N 419.529 3.280 0 40 HGAB NC(=O)C[C@H]1CCCCN1C(=O)c1cc(-c2ccccc2)c(N2CCOCC2)s1 58103682 SDKSJNKXZUVFTP-QGZVFWFLSA-N 413.543 3.122 0 40 HGAB COCCn1cc(NC(=O)N2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)cn1 58160160 WLIBLGVWPCVICX-HNNXBMFYSA-N 414.441 3.130 0 40 HGAB O=C(O)[C@H]1COC2(CCN(Cc3ccccc3)CC2)N1C(=O)/C=C\c1ccccc1 71980645 CUUBZBHURCXLNP-AXUYNXDZSA-N 406.482 3.004 0 40 HGAB CCOc1ccccc1CN1CCN(c2c(F)cccc2[C@@H](O)c2nccn2C)CC1 72340550 YWEBJJGCSUVDFM-HSZRJFAPSA-N 424.520 3.362 0 40 HGAB O=S(=O)(c1cn[nH]c1)N1CCC[C@@H](c2cccc(Cc3ccc(F)cc3)n2)C1 72350427 HUJBUGAHBWFRKQ-MRXNPFEDSA-N 400.479 3.103 0 40 HGAB COCCn1ccc2c(C(=O)Nc3cccc(-c4nc(COC)n[nH]4)c3)cccc21 79480167 TYYWDSPQQCQTHC-UHFFFAOYSA-N 405.458 3.472 0 40 HGAB C[C@H]1CN(C(=O)c2ccc(CNC(=O)c3ccc4ccccc4n3)cc2)C[C@H](C)O1 84705955 AHTHVNMVOZZMLY-IRXDYDNUSA-N 403.482 3.414 0 40 HGAB COc1ccccc1C[C@H](CNC(=O)c1cnn(C(C)C)c1C(F)(F)F)C(=O)O 95464095 CESBAQCIMRXWFX-CYBMUJFWSA-N 413.396 3.165 0 40 HGAB Cc1cc(C)cc(C(=O)N2CCC[C@]3(CC(C(=O)N(C)Cc4ccccn4)=NO3)C2)c1 96225240 VPYHMPCJVLRJKM-DEOSSOPVSA-N 420.513 3.108 0 40 HGAB COc1ccc(CCNS(=O)(=O)c2cc(C(=O)O)ccc2NC2CCCC2)cc1 217485751 KRFPAWGPXDQYTB-UHFFFAOYSA-N 418.515 3.269 0 40 HGAB CC[C@@H](C)NS(=O)(=O)c1ccc(OCC(=O)N2c3ccccc3C[C@@H]2C)cc1 222658705 KUOFLCPACICYRV-CVEARBPZSA-N 402.516 3.120 0 40 HGAB COCc1cccc(NS(=O)(=O)c2ccc(OC)c(C(=O)N3CCCCC3)c2)c1 224033397 NCZFPWBDLOEQSB-UHFFFAOYSA-N 418.515 3.269 0 40 HGAB Cn1c(=O)sc2cc(S(=O)(=O)Nc3ccc(OC(F)(F)F)cc3)ccc21 224897175 JPDIHZQBAMJQLE-UHFFFAOYSA-N 404.391 3.299 0 40 HGAB O=C(Nc1nnc(S(=O)(=O)N2CCCCC2)s1)c1ccc(Cl)cc1Cl 225082414 GBGACXQBLDAHPI-UHFFFAOYSA-N 421.331 3.272 0 40 HGAB O=C(c1cc2cc(Cl)ccc2[nH]1)N1CCC(n2c(=O)[nH]c3ccccc3c2=O)CC1 225760264 OBFVCDUCVYVBEI-UHFFFAOYSA-N 422.872 3.302 0 40 HGAB COc1ccc2c(c1)OC1(CCN(S(=O)(=O)Cc3ccccc3)CC1)CC2=O 225820222 VFKAAVPQNXZPMJ-UHFFFAOYSA-N 401.484 3.025 0 40 HGAB Cc1cc(NCN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@H]3C2=O)cc(C)c1Br 226388916 ADAGSCDZPVUSQZ-ZBURPKILSA-N 401.304 3.488 0 40 HGAB CC(C)S(=O)(=O)c1ccc(CC(=O)N2CC[C@H](c3ccc4c(c3)OCO4)C2)cc1 238829382 FNWIGZYZIBMZEK-SFHVURJKSA-N 415.511 3.156 0 40 HGAB COc1ccc(C)cc1NC(=O)CN1C[C@H](OCc2ccccc2)[C@]2(CCCO2)C1 257240754 HVAQNMGPBAUEHG-UPVQGACJSA-N 410.514 3.392 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCN([C@@H](CCC(=O)O)c3ccc(F)cc3)CC2)cc1 408606575 ISVPHYCSYAYPKH-FQEVSTJZSA-N 420.506 3.047 0 40 HGAB COc1ccc(Cl)cc1N(CC(=O)N[C@H](C)CCc1ccccc1)S(C)(=O)=O 408627325 ZESSZEOIOKVXDA-OAHLLOKOSA-N 424.950 3.252 0 40 HGAB Cc1cc(C(=O)N[C@@H]2CC3(CCN(C)CC3)Oc3ccccc32)c2c(C)n[nH]c2n1 510702319 MLVORIKDCOUHEO-GOSISDBHSA-N 405.502 3.293 0 40 HGAB CCOc1ccccc1N1CCN(S(=O)(=O)c2cc(C)c(OC)cc2C)CC1 515734536 RVXOLZJOLKTDKL-UHFFFAOYSA-N 404.532 3.222 0 40 HGAB O=C1C[C@H](C(=O)N2CCCC3=C[C@H]4C[C@H](CN5CCCC[C@H]45)[C@H]32)CN1Cc1ccco1 524729512 WJXXWLHUWHORMV-IHIDTBFHSA-N 423.557 3.050 0 40 HGAB CC(C)c1nc(C(=O)N2CCO[C@@]3(CCCOC3)C2)nn1-c1ccccc1Cl 557328155 HUSGTMBHYNHSMW-FQEVSTJZSA-N 404.898 3.066 0 40 HGAB CN1c2ccccc2N(C2CCN(C(=O)c3ccc(Cl)s3)CC2)S1(=O)=O 575414194 MYFDQTINDFXRSG-UHFFFAOYSA-N 411.936 3.207 0 40 HGAB COc1cc(F)ccc1C(=O)N1CCc2ncc(-c3cccc(NC(C)=O)c3)n2CC1 585111004 AJAVVVUIUNDHAY-UHFFFAOYSA-N 422.460 3.355 0 40 HGAB COc1ccc(CCS(=O)(=O)NC[C@H](O)c2ccc(-c3ccco3)cc2)cc1 585148003 LXSIGUBJRBLABR-FQEVSTJZSA-N 401.484 3.151 0 40 HGAB CN1CCCCN(C(=O)CCCc2cn[nH]c2)CCOc2ccc(Cl)cc2C1=O 643556762 PVDFIXAHLWGSCV-UHFFFAOYSA-N 418.925 3.159 0 40 HGAB COc1ccc(-c2ccc3c(c2)CN2CCC[C@@H](C2)C(=O)NCCOCCO3)cc1C 643571338 HBHVSIUBXBJKQT-NRFANRHFSA-N 424.541 3.408 0 40 HGAB C[C@@H](Sc1ccc(F)cc1)C(=O)N1CCO[C@@H](c2ccc(S(C)(=O)=O)cc2)C1 1642182021 HCIOGAWJJNIOGJ-AUUYWEPGSA-N 423.531 3.310 0 40 HGAB Cn1cc(-c2cnc3nc4c(cc3c2)CN(S(=O)(=O)C2CCCCC2)CC4)cn1 2298104762 CKGNFLNYLAYYFO-UHFFFAOYSA-N 411.531 3.051 0 40 HGAB CCOc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(CC)cc3)CC2=O)cc1 794287 UOXMNSCSSBJFFS-KRWDZBQOSA-N 410.470 3.183 0 40 HGAB CC1=C(C(=O)Nc2ccccn2)[C@H](c2ccc(Cl)cc2Cl)n2nnnc2N1 950933 QKUNMSNZIGTTBG-HNNXBMFYSA-N 402.245 3.303 0 40 HGAB CC1=C(C(N)=O)[C@H](c2cccc(F)c2)N2NC(SCc3ccccc3F)=NC2=N1 958585 JFBOLSWTSWKGOR-KRWDZBQOSA-N 413.453 3.244 0 40 HGAB COc1cc(C[C@@H](C(=O)O)[C@H](C)C(=O)c2ccc3c(c2)OCO3)cc(OC)c1OC 1668741 OZTLVHLVDYEZNN-SWLSCSKDSA-N 416.426 3.203 0 40 HGAB C[C@@H](C(=O)N1CCc2ccccc2C1)N1C(=O)N[C@@](C)(c2ccccc2Cl)C1=O 2646139 QJNSWAYJJGGKEZ-FPTDNZKUSA-N 411.889 3.080 0 40 HGAB COc1ccc(CC(=O)OCC(=O)Nc2nc3ccc(C)cc3s2)cc1OC 3332144 GOFXMNJTKFKTBT-UHFFFAOYSA-N 400.456 3.346 0 40 HGAB COc1ccccc1N1CCN(C(=O)CNC(=O)c2ccc(Cl)cc2Cl)CC1 3346310 DJKTZCVUNNEKBQ-UHFFFAOYSA-N 422.312 3.081 0 40 HGAB CS(=O)(=O)c1ccc(Cl)c(NC(=O)COC(=O)c2ccc3ncsc3c2)c1 3545202 LCDCSOJVZHIPEX-UHFFFAOYSA-N 424.887 3.149 0 40 HGAB O=C(COc1ccccc1)Nc1ccc(C(=O)O)cc1NC(=O)COc1ccccc1 3667951 VOYFQOQBMZFZKN-UHFFFAOYSA-N 420.421 3.420 0 40 HGAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2[nH]c(C)c(C(C)=O)c2C)c1C 4329081 XIMUPTWIKAOKMT-CQSZACIVSA-N 402.447 3.384 0 40 HGAB C[C@H](OC(=O)c1ccc(N2C(=O)CCC2=O)cc1)C(=O)Nc1cccc(Cl)c1 4351378 RZJWWXPIBDXVBB-LBPRGKRZSA-N 400.818 3.177 0 40 HGAB O=C(CN1c2cccc3cccc(c23)S1(=O)=O)Nc1ccc2c(c1)OCCCO2 4806880 AKNBSSYRWRXCAU-UHFFFAOYSA-N 410.451 3.149 0 40 HGAB O=C(Nc1nc2ccccc2s1)C1CCN(S(=O)(=O)c2ccccc2)CC1 4983195 BVDTUVRHWQHKQE-UHFFFAOYSA-N 401.513 3.336 0 40 HGAB CCOC(=O)C1=C(CSCc2ccco2)NC(=O)N[C@H]1c1ccccc1OC 5018185 OMZGRUGKICTJPT-SFHVURJKSA-N 402.472 3.393 0 40 HGAB CCOC(=O)c1c(NC(=O)c2ccc(-n3cnnn3)cc2)sc2c1CC[C@H](C)C2 5034673 YYPUCMLZIJDEII-LBPRGKRZSA-N 411.487 3.278 0 40 HGAB COc1ccccc1C[C@@]1(C)NC(=O)N(CC(=O)C23CC4CC(CC(C4)C2)C3)C1=O 5222758 HVBGAYBGRYSPFQ-DJKMCGLWSA-N 410.514 3.334 0 40 HGAB CN(C)S(=O)(=O)c1cccc(C(=O)NCCSCc2ccc(Cl)cc2)c1 5245426 DWTRWYXQTXIJQU-UHFFFAOYSA-N 412.964 3.254 0 40 HGAB CCOC(=O)c1cc(NC(=O)c2cc(OC)cc(OC)c2)cc(C(=O)OCC)c1 5615945 LMNCKLUZBURSRE-UHFFFAOYSA-N 401.415 3.310 0 40 HGAB COC(=O)c1ccc(NC(=O)COC(=O)COc2ccc(Cl)cc2Cl)cc1 5655838 VLTIXWROCFXXRK-UHFFFAOYSA-N 412.225 3.341 0 40 HGAB CCOc1ccc([C@@H]2c3c(C)nn(C)c3NC(=O)[C@H]2NC(=O)c2ccccc2)cc1 6779650 ILLQXSWZAIPCII-UXHICEINSA-N 404.470 3.010 0 40 HGAB Cc1nn(Cc2cc(-c3ccco3)on2)c(C)c1S(=O)(=O)N1CCC(C)CC1 7025494 IEYVOQHLKMPBSQ-UHFFFAOYSA-N 404.492 3.217 0 40 HGAB CCN(Cc1nc2ccccc2c(=O)[nH]1)S(=O)(=O)c1cccc(C(F)(F)F)c1 7050136 IYAWQHYVDKPTEB-UHFFFAOYSA-N 411.405 3.153 0 40 HGAB Cc1ccc(Cn2c(SCc3ccccc3)nc3c2c(=O)n(C)c(=O)n3C)cc1 7425927 IFJFHPXSQKPAPH-UHFFFAOYSA-N 406.511 3.083 0 40 HGAB COc1cc(CC(=O)OCC(=O)Nc2cccc(SC)c2)cc(OC)c1OC 7786461 SARQACFIMPVAFT-UHFFFAOYSA-N 405.472 3.159 0 40 HGAB CC(C)COc1ccc(C(=O)OCC(=O)Nc2ccccc2C(=O)NC2CC2)cc1 7979130 PNQHRXDDGDGVIP-UHFFFAOYSA-N 410.470 3.409 0 40 HGAB COCCCNC(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1 8089264 IYRDVCCFOURXMZ-UHFFFAOYSA-N 417.922 3.228 0 40 HGAB COc1ccc(S(=O)(=O)N[C@H](C)CCc2ccccc2)cc1C(=O)N1CCCC1 8560443 JSLUUYGKBVXJJI-QGZVFWFLSA-N 416.543 3.231 0 40 HGAB CCCCC(=O)N1CCC[C@@H](c2nc(O)c3nnn(Cc4cc(C)ccc4C)c3n2)C1 8763168 ZSFSQWIZDQUIDE-QGZVFWFLSA-N 422.533 3.488 0 40 HGAB Cc1c(N(Cc2cccc(Cl)c2)S(C)(=O)=O)c(=O)n(-c2ccccc2)n1C 9426062 UJOBOSAVYUGXEW-UHFFFAOYSA-N 405.907 3.104 0 40 HGAB O=C(CSc1nnc(-c2ccc3c(=O)n4c(nc3c2)CCCCC4)o1)c1ccc[nH]1 9960421 AJIWLZAGAQFJLJ-UHFFFAOYSA-N 421.482 3.476 0 40 HGAB COc1ccccc1-c1nnc(SCc2cccc(S(=O)(=O)N(C)C)c2)n1C 9993629 JKQWHAQDJNDGEX-UHFFFAOYSA-N 418.544 3.033 0 40 HGAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1cc2cnn(C(C)C)c2nc1C 10441401 WUVRIRKDBMBZSZ-UHFFFAOYSA-N 412.446 3.377 0 40 HGAB O=C(CSc1nnc(N2CCCCC2)n1C1CC1)NC(=O)Nc1ccccc1 11380345 GDGAHLCUOIYFOD-UHFFFAOYSA-N 400.508 3.044 0 40 HGAB CCn1cc(S(=O)(=O)N2CCCCC[C@@H]2c2cc(C(F)(F)F)nn2C)c(C)n1 12159909 FMGLEQCQNWXCAJ-CYBMUJFWSA-N 419.473 3.270 0 40 HGAB COc1ccc([C@@H](O)CN2CCC3(CC2)C[C@H](O)c2cc(C)ccc2O3)cc1OC 12329679 JGKMQMAJQMCTGP-PMACEKPBSA-N 413.514 3.396 0 40 HGAB COc1ccc(C2(C(=O)N3CCC[C@H]3Cn3nnc(-c4cccs4)n3)CC2)cc1 12407146 BBIAQFDTYLAFJS-INIZCTEOSA-N 409.515 3.133 0 40 HGAB COCCn1c(SCc2cccnc2)nc2ccc(Br)cc2c1=O 12538110 XHHYFKULOLDVOF-UHFFFAOYSA-N 406.305 3.493 0 40 HGAB CNS(=O)(=O)c1cc(C(=O)OCC(=O)c2c(C)[nH]c3ccccc23)ccc1Cl 12785153 ZEULDDRPRXYZOK-UHFFFAOYSA-N 420.874 3.078 0 40 HGAB O=C(NCCCN1CCCCCC1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 13670366 ZZQCCSMSMHAWCG-UHFFFAOYSA-N 415.559 3.483 0 40 HGAB COc1ccc(CC(=O)NCCc2cc(OC)c(OC)cc2Br)cc1 14198343 PYVHLKJZHIVELN-UHFFFAOYSA-N 408.292 3.376 0 40 HGAB O=C(c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)N1CCc2ccccc2C1 15339213 WSOPBQQOGKRBOQ-UHFFFAOYSA-N 404.919 3.323 0 40 HGAB O=C(CSc1nnc(-c2ccc3c(c2)OCO3)o1)NCCc1c[nH]c2ccccc12 16680317 QCBWOQMCBAQKMN-UHFFFAOYSA-N 422.466 3.398 0 40 HGAB Cc1cc(C)cc(S(=O)(=O)Nc2ccc(-c3ccc(N4CCOCC4)nn3)cc2)c1 17010963 YYLTUARNACTYGV-UHFFFAOYSA-N 424.526 3.398 0 40 HGAB CC(C)Cn1nnc(NC(=S)NC(=O)c2ccc(OCc3ccccc3)cc2)n1 17088550 FRKOQXDVADELEI-UHFFFAOYSA-N 410.503 3.035 0 40 HGAB CNC(=O)[C@]1(Cc2ccccc2-c2cncnc2)CCCN(Cc2ccncc2)C1 19591353 XFZFXKAKNNQKLP-DEOSSOPVSA-N 401.514 3.110 0 40 HGAB Cc1ccc(NC(=O)CN(c2ccccc2Br)S(C)(=O)=O)c(C)c1 19855564 UECVCVGJMUUDHP-UHFFFAOYSA-N 411.321 3.471 0 40 HGAB CCN(C(=O)CN1CCN(CC(=O)Nc2ccccc2Cl)CC1)C1CCCCC1 22789619 KOVNGYIHRSOITM-UHFFFAOYSA-N 420.985 3.077 0 40 HGAB CCc1nc2sc([C@@H](c3ccc(F)cc3)N3CCC(C(=O)OC)CC3)c(O)n2n1 22853630 UCUPWFOOLZWHNP-MRXNPFEDSA-N 418.494 3.172 0 40 HGAB COc1ccc([C@@H]2CCCN2C(=O)CN2C(=O)[C@@H](C)Oc3ccccc32)c(OC)c1 23313241 PBOZBXLQSBPDON-QAPCUYQASA-N 410.470 3.181 0 40 HGAB COc1cc(C)c(CN2CCN(C(=O)CCC(=O)c3cccs3)CC2)cc1OC 23762796 LZKMGZAMGGLYCR-UHFFFAOYSA-N 416.543 3.381 0 40 HGAB CCS(=O)(=O)c1ccc(O)c(NC(=O)CS[C@@H](C)c2nc3ccccc3[nH]2)c1 24764966 UFPURSUGPRXLAY-LBPRGKRZSA-N 419.528 3.495 0 40 HGAB COc1ccc([C@H](C)NC(=O)CCc2c(C)nc3nc(SC)nn3c2C)cc1F 26801971 XWXRSHRDCMXZGF-NSHDSACASA-N 417.510 3.421 0 40 HGAB O=S(=O)(N[C@H](CN1CCOCC1)c1ccccc1)c1cccc(C(F)(F)F)c1 26959209 NRDRTCXVQWTPPH-GOSISDBHSA-N 414.449 3.057 0 40 HGAB O=C(COc1ncnc2c1cnn2-c1ccccc1)c1ccc2c(c1)OCCCO2 28616716 UVIOGEKESRZKRZ-UHFFFAOYSA-N 402.410 3.239 0 40 HGAB CCOc1ccccc1NC(=O)CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C 29754925 CDDYYZTZJYZNAB-QHCPKHFHSA-N 407.470 3.413 0 40 HGAB COC(=O)CCCNC(=O)N1CCc2[nH]cnc2[C@H]1c1cccc(Cl)c1Cl 31808511 QUGWFIQBOWLMTB-QGZVFWFLSA-N 411.289 3.327 0 40 HGAB O=C(N[C@H](CN1CCOCC1)c1ccccc1)c1nn(-c2ccccc2)c2c1CCC2 32869218 KVVCHDVTGJQNBB-JOCHJYFZSA-N 416.525 3.164 0 40 HGAB O=C(NCC1(N2CCOCC2)CCCCC1)c1cccc(OC[C@@H]2CCCO2)c1 40047161 INTLDAKPZALIEZ-NRFANRHFSA-N 402.535 3.009 0 40 HGAB O=C(Cn1cnc2ccccc2c1=O)N1CCCc2cc(OC(F)(F)F)ccc21 40090419 FHZCNMKNYPMXDW-UHFFFAOYSA-N 403.360 3.275 0 40 HGAB NC(=O)COc1ccc([C@@H]2CC(O)=Nc3c(C(=O)O)cn(-c4ccccc4)c32)cc1 40267228 URLVQRMMFIHXFA-INIZCTEOSA-N 405.410 3.163 0 40 HGAB CCOc1ccc(NC(=O)C(=O)N[C@@H](CC(=O)OC)c2ccccc2Cl)cc1 41163147 PNUDZBAWQHJCJW-KRWDZBQOSA-N 404.850 3.098 0 40 HGAB CCOc1cc(C2C(C(=O)OC)=C(C)NC(C)=C2C(=O)OC)ccc1OC(F)F 48311221 KRGOIKINZKNMFQ-UHFFFAOYSA-N 411.401 3.268 0 40 HGAB Cc1ccc(NC(=O)c2cn(CC(=O)NC3CCCC3)c3nc(C)ccc3c2=O)cc1 49002051 BJKKQOSSJFFQPO-UHFFFAOYSA-N 418.497 3.324 0 40 HGAB COc1ccc(NC(=O)[C@@H](C)Sc2nnc3c(=O)n(-c4ccccc4)ccn23)cc1 64593508 SJTBWDSOPKBZBH-CQSZACIVSA-N 421.482 3.008 0 40 HGAB Cc1ccc(NC(=O)Cn2cnc3nc(N4CCC[C@H](C)C4)sc3c2=O)c(C)c1 67226172 SRZNERMDQPRTGI-AWEZNQCLSA-N 411.531 3.345 0 40 HGAB CN(C)S(=O)(=O)N1CCC[C@@H](c2cncc(-c3cccc(C(F)(F)F)c3)n2)C1 72359556 DGQZHPSRTUUXKE-CQSZACIVSA-N 414.453 3.148 0 40 HGAB CNC(=O)[C@@]1(Cc2ccccc2-c2ccccc2)CN(Cc2ccccn2)CCO1 72389035 YAJPKXURTRRBCO-RUZDIDTESA-N 401.510 3.308 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CSc3ccccc3F)CC2)cc1C 89643258 JIFNQIAWKCVVAS-UHFFFAOYSA-N 422.547 3.068 0 40 HGAB CC[C@@H]1CCc2ccccc2N1S(=O)(=O)c1ccc(OCc2ncnn2C)cc1 95972384 OXGBJBPQPXHPLS-QGZVFWFLSA-N 412.515 3.314 0 40 HGAB C/C=C/c1ccc(OC[C@@H](O)CNC[C@@H](c2ccc(OC)cc2)N(C)C)c(OC)c1 96311027 YSQGJSKNXKXPMX-RGVSTGCNSA-N 414.546 3.369 0 40 HGAB COC(=O)c1nccc2c(S(=O)(=O)Nc3c(F)cc(C(C)=O)cc3F)cccc12 97143804 NUSYGDLGVZCINP-UHFFFAOYSA-N 420.393 3.303 0 40 HGAB CCOc1ccc(/C=C2/SC(=O)N(CCNC(=O)[C@@H](C)CC)C2=O)cc1OC 98003443 QSCFDJUGHJPFAF-VLURKWGBSA-N 406.504 3.293 0 40 HGAB O=C(C1=NN(c2ccccc2)[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]12)c1ccccc1 100354644 LOOKZQOQPJDIAB-CTNGQTDRSA-N 413.408 3.443 0 40 HGAB COc1ccc(-c2cc3ncc4c(n3n2)C[C@H]2CC[C@H]4N2CC(=O)OC(C)C)cc1 100755739 APVNUDFFBMMWPN-OXQOHEQNSA-N 406.486 3.418 0 40 HGAB COc1ccc(N2C(=O)[C@H]3[C@@H](c4ccc(O)cc4)N(c4ccccc4)O[C@H]3C2=O)cc1 102704805 CSAGVHLTZREPBO-BHDDXSALSA-N 416.433 3.452 0 40 HGAB COc1ccc(N2C(=O)C[C@H](N(C)Cc3nc4ccccc4s3)C2=O)c(OC)c1 102815197 LDSVYIPVVRBONW-INIZCTEOSA-N 411.483 3.077 0 40 HGAB COc1cc2c(cc1NC(=O)CN1C(=O)[C@@H]3[C@@H](C1=O)[C@H]1C=C[C@H]3C1)oc1ccccc12 102972348 OCARDVOLHXUJNA-VYNZJCPOSA-N 416.433 3.340 0 40 HGAB C[C@@H](NC(=O)CCn1cnc2ccc(Br)cc2c1=O)[C@H]1C[C@H]2CC[C@H]1C2 104106919 WEAGPFNDGVBTIV-ORIJERBGSA-N 418.335 3.490 0 40 HGAB COc1ccc(Cl)cc1NC(=O)[C@H](C)N(c1cccc(F)c1)S(C)(=O)=O 220469917 ZATALMYFTQZGCS-NSHDSACASA-N 400.859 3.281 0 40 HGAB COC(=O)c1ccc(C)c(S(=O)(=O)NCCOc2ccccc2C(C)(C)C)c1 223733725 KRKGXTSPRVDBKD-UHFFFAOYSA-N 405.516 3.436 0 40 HGAB CCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)COc1cccc(Cl)c1 224005847 LJNXGIHQQNQBTQ-HNNXBMFYSA-N 404.894 3.281 0 40 HGAB C[C@@H](Oc1cccc2c1CCCC2)C(=O)Nc1ccccc1C(=O)N1CCOCC1 224795824 PDJJLHZGHWPLSO-QGZVFWFLSA-N 408.498 3.444 0 40 HGAB Cc1cccc(CCCNC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)c1 225469000 ZYYNAARRNDNRJH-UHFFFAOYSA-N 400.544 3.145 0 40 HGAB COC[C@]1(CN)[C@H](c2ccc(Br)cc2)[C@H]1S(=O)(=O)c1ccc(C)cc1 242495199 FZKUGDLVSLHEID-GUDVDZBRSA-N 424.360 3.289 0 40 HGAB COc1ccccc1Cc1cnc([C@H]2CCCCN2C(=O)c2cc(C)nc(O)n2)o1 257248788 JFEPZXLVKVMJIU-GOSISDBHSA-N 408.458 3.445 0 40 HGAB CCOc1ccc(Cc2cccc([C@@H]3CN(C(=O)c4cnc(C)cn4)CCO3)n2)cc1 257273121 NFIQSLSDGLWNIH-QHCPKHFHSA-N 418.497 3.383 0 40 HGAB Cc1nc2c(C)cccc2cc1C(=O)N1CCC[C@@](C)(C(=O)NCc2nonc2C)C1 257330965 XQUSBEAQLSZTDC-HSZRJFAPSA-N 421.501 3.102 0 40 HGAB O=C([C@H]1C[C@H]2C=C[C@H]1C21CC1)N1CCC([C@@H]2C[C@H](C(F)F)n3ncnc3N2)CC1 257366804 OYGXDVOVDGCLMX-BPKGMFCQSA-N 403.477 3.109 0 40 HGAB Cc1cc(C)cc(S(=O)(=O)N2CC3(C2)OCC[C@@H]3CCOCc2ccccn2)c1 306137075 QKYKEDDJEULNJI-IBGZPJMESA-N 416.543 3.085 0 40 HGAB CC(C)NC(=O)[C@H](C)Oc1ccc(S(=O)(=O)NCc2ccc(Cl)cc2)cc1 408588396 FYIGIKHPQJDKKH-AWEZNQCLSA-N 410.923 3.110 0 40 HGAB CC1=CC[C@H]2C(=O)N(c3ccc(C(=O)Nc4cccc(C(=O)O)c4)cc3)C(=O)[C@@H]2C1 408679842 HEJYJPUFVSFISC-RTBURBONSA-N 404.422 3.483 0 40 HGAB CN(Cc1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1)S(C)(=O)=O 408705602 JMEVJSYWMGACKQ-UHFFFAOYSA-N 417.314 3.402 0 40 HGAB O=c1/c(=C/c2c(O)ccc3ccccc23)sc2nc3cc(Br)cnc3n12 408721059 JKBDEFBORLRMCU-PXNMLYILSA-N 424.279 3.473 0 40 HGAB CCOc1ccc(Cl)cc1/C=C1\NC(=O)N(CC(=O)Nc2ccc(F)cc2)C1=O 409096461 DJGLEGRPXHECPR-YBEGLDIGSA-N 417.824 3.409 0 40 HGAB Cc1cc(C)n([C@@H](CNC(=O)C(=O)NCCC2=CCCCC2)c2cccs2)n1 575610060 JSIBJLKEWZQULQ-SFHVURJKSA-N 400.548 3.274 0 40 HGAB CCOc1cccc2c1OCCCCCNC(=O)CN(C1CCN(CC)CC1)C2 643574821 SOOLYLVUVFBJNZ-UHFFFAOYSA-N 403.567 3.051 0 40 HGAB Cc1ccc(NC(=O)N2CCC[C@H](N3CCCS3(=O)=O)C2)c(Cl)c1Cl 1116853977 VPEGPFSRUJQONH-LBPRGKRZSA-N 406.335 3.334 0 40 HGAB COc1cc([C@H]2C3=C(CN(C(C)=O)C3=O)Nc3cccc4[nH]cc2c34)cc(OC)c1O 1547138597 NTECNFSDCVHOKE-LJQANCHMSA-N 419.437 3.091 0 40 HGAB biogenic O=C(NCc1cnn(-c2ccc(Br)cc2)c1)c1onc2c1CCCC2 1556384896 PKLVEDANPOWIGY-UHFFFAOYSA-N 401.264 3.432 0 40 HGAB Cc1ccc(C)c2sc(N3CCN(c4cncc(-c5cnn(C)c5)n4)CC3)nc12 2298241804 VJLNBRQWDMGDKE-UHFFFAOYSA-N 405.531 3.430 0 40 HGAB CCOC(=O)C1=C(C)Nc2nnnn2[C@H]1c1ccc(OCc2ccc(C)cc2)cc1 956276 QGCFCMKVRJAGHW-FQEVSTJZSA-N 405.458 3.413 0 40 HGAB CCOC(=O)c1c(C2CC2)csc1NC(=O)COC(=O)c1ccc2c(c1)OCO2 3436759 RDCCDYQUCQIXFT-UHFFFAOYSA-N 417.439 3.326 0 40 HGAB CC(C)CC(=O)Nc1nnc(SCC(=O)Nc2ccc3c(c2)OCCO3)s1 4328342 MPEDUKGTFRSUTF-UHFFFAOYSA-N 408.505 3.025 0 40 HGAB C=Cc1ccc(CN2C(=O)N(c3ccc(OCC)cc3)[C@H]3CS(=O)(=O)C[C@@H]32)cc1 4484270 DEOVSOAQIGZGIX-SFTDATJTSA-N 412.511 3.336 0 40 HGAB Cc1ccc(C2=NN(C(=O)COc3ccccc3C(N)=O)[C@@H](c3ccco3)C2)cc1 4550304 VHGOBUNHSOWCKM-LJQANCHMSA-N 403.438 3.444 0 40 HGAB O=C(CSc1nc2[nH]ncc2c(=O)n1-c1ccccc1)Nc1ccc(Cl)cc1 4660643 IDAHBQCZNBKIDS-UHFFFAOYSA-N 411.874 3.493 0 40 HGAB O=C(NCc1ccccc1)c1cc2ccccc2cc1OCC(=O)N1CCOCC1 5468725 BTQPSBVRQZOFBJ-UHFFFAOYSA-N 404.466 3.007 0 40 HGAB CS(=O)(=O)Nc1nc2n(n1)[C@@H](c1ccccc1)C[C@H](c1ccc(Cl)cc1)N2 5497965 SILXYWQSVVPELK-HZPDHXFCSA-N 403.895 3.449 0 40 HGAB COc1ccc(S(N)(=O)=O)cc1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 6434772 DWDGBIJKPWQUTG-UHFFFAOYSA-N 408.785 3.267 0 40 HGAB CCn1c(SCC(=O)NC2CCCC2)nnc1[C@H](C)NC(=O)c1ccc(C)cc1 6711076 IDHXZNYPDLUXIQ-HNNXBMFYSA-N 415.563 3.248 0 40 HGAB CC(=O)Nc1ccc([C@H]2C(C(=O)Nc3ccc(F)cc3)=C(C)Nc3ncnn32)cc1 6757236 PUGBEVZRXPMFNR-IBGZPJMESA-N 406.421 3.303 0 40 HGAB Cc1ccc(Br)cc1S(=O)(=O)Nc1ccccc1C(=O)NC1CC1 7421593 YZRRJTACBZDENU-UHFFFAOYSA-N 409.305 3.451 0 40 HGAB COc1ccccc1N1CCN(C(=O)CSc2nnc(-c3cccs3)o2)CC1 7485823 JOTJJKQLJKZPNN-UHFFFAOYSA-N 416.528 3.248 0 40 HGAB CCOC(=O)c1ccc(N2C[C@@H](C(=O)O[C@@H](C)C(=O)c3ccccc3)CC2=O)cc1 7881376 USQMFSZUKKZQCH-YJBOKZPZSA-N 409.438 3.031 0 40 HGAB O=C(CSc1nnc(NC[C@@H]2CCCO2)s1)N[C@H]1CCCc2ccccc21 8157044 IIDNIYNCVDJUSV-HOCLYGCPSA-N 404.561 3.415 0 40 HGAB CCN(c1ccc(OC)cc1)S(=O)(=O)c1nnc(NC(=O)c2ccccc2)s1 9405035 OZDUSLNDVVZOAD-UHFFFAOYSA-N 418.500 3.014 0 40 HGAB CCOCCCn1c(SCc2nc3ccccc3c(=O)[nH]2)nc2ccccc2c1=O 10785506 JHOSGQPGEXICBQ-UHFFFAOYSA-N 422.510 3.352 0 40 HGAB CN(C)S(=O)(=O)c1cccc(COC(=O)C(C)(C)Oc2ccc(Cl)cc2)c1 11482035 UARWSENDJREFLN-UHFFFAOYSA-N 411.907 3.491 0 40 HGAB Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)N1CCC(C)CC1)CC1(CCOCC1)O2 12086911 FQPLWRNTMPTDNS-GOSISDBHSA-N 400.519 3.026 0 40 HGAB CCCn1nc(CC(=O)N2CCCC[C@H]2CN2CCCCC2)c2ccccc2c1=O 12238149 BVOOQAGUBMAHTK-IBGZPJMESA-N 410.562 3.216 0 40 HGAB Cc1ccn2cc(C(=O)N3CCC(C(=O)c4ccc5c(c4)OCCO5)CC3)nc2c1 12551901 FQKUFDKLOHMSLP-UHFFFAOYSA-N 405.454 3.149 0 40 HGAB CC(=O)c1ccc(NC(=O)COc2ccc3nc4n(c(=O)c3c2)CCCCC4)cc1 12902671 QUSBEYNONNLTGQ-UHFFFAOYSA-N 405.454 3.343 0 40 HGAB biogenic COC[C@H](C)n1c(SCc2nc3ccccc3c(=O)[nH]2)nc2ccccc2c1=O 13637514 SGJVRIIOCBPBBH-ZDUSSCGKSA-N 408.483 3.133 0 40 HGAB CCN(CC(=O)NCc1ccc(F)cc1)C(=O)c1cc(OC)ccc1Br 14865157 ZHYSGAJBQDZKOW-UHFFFAOYSA-N 423.282 3.375 0 40 HGAB O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)N(Cc1ccco1)Cc1cccs1 14999734 DPUBEVDXMPSBJB-QZTJIDSGSA-N 400.500 3.435 0 40 HGAB CN(C(=O)c1ccccc1C(=O)OCc1cc(=O)n2ccccc2n1)C1CCCCC1 15346461 XUDNGRGSDBMNTO-UHFFFAOYSA-N 419.481 3.456 0 40 HGAB CCN(CC(=O)Nc1cc(Cl)ccc1C)Cc1cc(=O)n2c(C)csc2n1 16557606 DYBODESDHDPTMG-UHFFFAOYSA-N 404.923 3.487 0 40 HGAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2OC)cc1Cl 16692752 UDWPJFWCHMEMIN-UHFFFAOYSA-N 412.895 3.007 0 40 HGAB COc1ccc(-c2noc(CSc3nc4ccccc4c(=O)n3C)n2)cc1OC 17144328 ILBLVAOXXLHJCR-UHFFFAOYSA-N 410.455 3.293 0 40 HGAB CCNC(=O)[C@]1(Cc2ccccc2-c2cncnc2)CCCN(C(=O)C2CCC2)C1 19528445 NIATWUJFFODWMM-DEOSSOPVSA-N 406.530 3.231 0 40 HGAB COc1ccc2c(c1)c(C[C@H](C)NC(=O)c1cc(=O)n(C)c3ccccc13)cn2C 19714374 BHOUUONFSKCIHK-HNNXBMFYSA-N 403.482 3.400 0 40 HGAB Cc1ccc(N2C[C@@H](C(=O)N(C)Cc3ccccc3N3CCOCC3)CC2=O)c(C)c1 19714975 LCZYSUSCNNHMGR-NRFANRHFSA-N 421.541 3.152 0 40 HGAB CCn1c(SCC(=O)NC2CCCCC2)nnc1-c1cccc(NC(C)=O)c1 19929470 LDYAIENWCPBHJA-UHFFFAOYSA-N 401.536 3.464 0 40 HGAB COc1ccc2c(C)c(CCC(=O)N3CCN(Cc4ccccc4)CC3)c(=O)oc2c1 20591863 AEYAOKHMLWFQOU-UHFFFAOYSA-N 420.509 3.387 0 40 HGAB COc1ccc2[nH]cc([C@@H](C(=O)O)N3CCN(c4ccc(C(C)=O)cc4)CC3)c2c1 20733605 ISXICCACJCIDDY-QFIPXVFZSA-N 407.470 3.327 0 40 HGAB COc1ccccc1C(=O)Nc1nc(-c2ccc(N(C)S(C)(=O)=O)cc2)cs1 21769732 RIFYPBNGHFSTIO-UHFFFAOYSA-N 417.512 3.467 0 40 HGAB NC1=Nc2nc3cc4c(cc3n2[C@@H](c2ccc(OC(F)(F)F)cc2)N1)OCCCO4 22018305 QBKMMXJDBRWVIS-INIZCTEOSA-N 419.363 3.193 0 40 HGAB CCN(CC)S(=O)(=O)c1cc(Cl)ccc1OCC(=O)NCc1ccccc1 22248475 SAYWKDICJLHPJA-UHFFFAOYSA-N 410.923 3.066 0 40 HGAB COc1ccccc1CCCNC(=O)CN(c1ccc(C(C)C)cc1)S(C)(=O)=O 22330147 KVPRIFCBKGDPSV-UHFFFAOYSA-N 418.559 3.334 0 40 HGAB O=C(NCc1ccc(CN2CCOCC2)cc1)c1ccccc1OC[C@@H]1CCCO1 22872172 BHTJXZJMLFCOBM-NRFANRHFSA-N 410.514 3.007 0 40 HGAB CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cc(OC)ccc1Br 23039890 AVWSRAPGIUXHPB-UHFFFAOYSA-N 416.275 3.357 0 40 HGAB COC(=O)C1=C(CSc2nnc(C)s2)N(C2CC2)C(=O)N[C@@H]1c1ccccc1 23043415 DQMQQTSAWBWATG-MRXNPFEDSA-N 416.528 3.295 0 40 HGAB O=C(Cn1cccc(-c2nc(-c3ccccc3)no2)c1=O)Nc1ccc(F)cc1F 23125847 QFQKVZGJHOWBNF-UHFFFAOYSA-N 408.364 3.482 0 40 HGAB O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)c2ccc(O)c(Cl)c2)CC1 24143705 OGQROGJAAGEXGQ-UHFFFAOYSA-N 402.834 3.265 0 40 HGAB COc1ccc(C(=O)N2CCC(C(=O)Nc3ccncc3)CC2)cc1Br 24702164 LVFKFEJSKTXVNK-UHFFFAOYSA-N 418.291 3.344 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(CCC(=O)N[C@H]2CCOc3ccccc32)cc1 26782520 HOSWOZPNUDLEOA-FQEVSTJZSA-N 416.543 3.290 0 40 HGAB CCn1c(SCC(=O)Nc2ccc(OC)c(OC)c2)nc2ccsc2c1=O 27819207 IVZZXUPVOOSRTL-UHFFFAOYSA-N 405.501 3.226 0 40 HGAB COc1ccc([C@H](C)NC(=O)CN(c2ccc(F)c(Cl)c2)S(C)(=O)=O)cc1 30869637 VGQIAJJZQQCEJH-LBPRGKRZSA-N 414.886 3.131 0 40 HGAB COCC(=O)NC[C@@H]1C=C(C)[C@H](CC(=O)N(C)Cc2cccnc2)C[C@H]1C(C)C 30881931 GPJUPTMZGYJFGU-ACRUOGEOSA-N 401.551 3.047 0 40 HGAB biogenic,in-vitro COC(=O)c1cc(NC(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)ccc1Cl 31057784 LLQLVQJOPDYKGU-QGZVFWFLSA-N 402.834 3.496 0 40 HGAB C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)OCCOc3ccccc3F)cc2)C1 32738765 ILYXNKYJNHBZHN-MRXNPFEDSA-N 421.490 3.482 0 40 HGAB CC(C)N(C(=O)CSc1nc2ccccc2n1CC(=O)N1CCCC1)C(C)C 35312087 ZPNDAAODWRMINK-UHFFFAOYSA-N 402.564 3.396 0 40 HGAB Cc1cc(OCC(=O)N2CCN(c3ccccc3F)CC2)nc(-c2ccc(F)cc2)n1 35537596 UJHRQJKBGMEJHX-UHFFFAOYSA-N 424.451 3.458 0 40 HGAB Cc1nn(CC(=O)Nc2ccccc2C(F)(F)F)c(=O)c2c1cnn2C(C)(C)C 35589806 JHIUPHSGBUIWNG-UHFFFAOYSA-N 407.396 3.314 0 40 HGAB CCOc1cccc(CNC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2C)c1 38753291 BYRLFHLCUGLJMT-UHFFFAOYSA-N 402.516 3.108 0 40 HGAB O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl 40073501 FVFZGDHJHIJQEW-MRXNPFEDSA-N 419.268 3.406 0 40 HGAB CS(=O)(=O)Nc1ccc(C(=O)N[C@H]2CCCc3c2cnn3Cc2ccccc2)cc1 40081846 FVDUREGHNUPYOT-FQEVSTJZSA-N 424.526 3.110 0 40 HGAB O=C(CCc1nc2ccccc2c(=O)[nH]1)NCc1ccnc(Oc2ccccc2)c1 40110678 KUUHTTNCAUMBRO-UHFFFAOYSA-N 400.438 3.359 0 40 HGAB Cc1cc(C)n2nc(CC(=O)Nc3cc(C(F)(F)F)ccc3-n3cccn3)nc2n1 40131774 CCBIZNFUEQBWEO-UHFFFAOYSA-N 415.379 3.127 0 40 HGAB COC(=O)C[C@@H](NC(=O)C(=O)Nc1ccccc1C)c1ccc(Br)cc1 41171289 PBTGFISCJKWSNN-MRXNPFEDSA-N 419.275 3.117 0 40 HGAB CC(=O)Nc1nc(C(=O)OCC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cs1 43768672 PTHUBZZCEXNPGV-UHFFFAOYSA-N 423.450 3.394 0 40 HGAB C[C@@H]1CN(c2ccc(NC(=O)CCc3nnc(-c4ccsc4)o3)cn2)C[C@@H](C)O1 48277144 ADNQGVNMFXTUSQ-ZIAGYGMSSA-N 413.503 3.378 0 40 HGAB CC(C)OC(=O)c1ccc(NC(=O)Cn2nc(-c3ccccc3F)ccc2=O)cc1 49551092 KAKQXFVUWFWFPB-UHFFFAOYSA-N 409.417 3.253 0 40 HGAB Cc1cccc(N2CCN(CC(=O)N3CCc4[nH]c5ccccc5c4C3)CC2)c1C 57050885 FOQQVQLLAXWTKV-UHFFFAOYSA-N 402.542 3.492 0 40 HGAB COc1ccc(CNC(=O)c2cc(Cc3noc(-c4ccc(F)cc4)n3)on2)cc1 66089186 BNYUUSMGRSNZNU-UHFFFAOYSA-N 408.389 3.393 0 40 HGAB CCN1CCC[C@H]1CNc1nc(-c2ccc3c(c2)CCCN3S(C)(=O)=O)cs1 69378619 ZKHNCMVQSOSSNY-KRWDZBQOSA-N 420.604 3.419 0 40 HGAB O=C(Nc1ccc2cc[nH]c2c1)[C@@H](Cc1ccccc1)NC(=O)N1CCSCC1 71334862 ANIONZAHRXFXRX-HXUWFJFHSA-N 408.527 3.476 0 40 HGAB C[C@@H]1Nc2c(C(N)=O)cnn2[C@@H](c2ccc(Cl)cc2)[C@@H]1C(=O)Nc1ccccc1 72332723 DQRUVKHRDSHBAA-RZAIGCCYSA-N 409.877 3.294 0 40 HGAB CC(C)(C)c1cc(C(=O)N2CCC(c3ccnc4nc(C(F)(F)F)nn34)CC2)[nH]n1 72334979 WEITVHWMKRFPOQ-UHFFFAOYSA-N 421.427 3.184 0 40 HGAB Cc1cccc(Cc2cccc([C@@H]3CCCN(S(=O)(=O)c4cn(C)cn4)C3)n2)c1 72350334 SQOMWLKVGPSHES-LJQANCHMSA-N 410.543 3.283 0 40 HGAB CC(C)=C[C@H]1[C@@H](C(=O)N2CCC(C(=O)NCCCN3CCCCC3)CC2)C1(C)C 78714445 WJNORECRZSHEOY-SFTDATJTSA-N 403.611 3.456 0 40 HGAB CCCCN1CCc2ccc(NC(=O)CN(C)S(=O)(=O)c3cccs3)cc21 84744480 GOXLNUHHZBDLLZ-UHFFFAOYSA-N 407.561 3.170 0 40 HGAB COC(=O)/C(=C/Nc1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(C(C)C)cc1 100025897 LNELBAGCEWQPDH-ODLFYWEKSA-N 403.456 3.439 0 40 HGAB O=C(Nc1ccccc1)[C@H](Cc1ccccc1)N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O 102086337 WHSWQTACPBUGIX-DWBHWTKOSA-N 412.489 3.290 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)C3(c4ccccc4)CCCC3)CC2)cc1 215682948 GQOIDVWMTUAHMK-UHFFFAOYSA-N 412.555 3.340 0 40 HGAB CS(=O)(=O)N(CCCC(=O)NCCSCc1ccccc1F)c1ccccc1 219167930 KIAUVCYCLAXLMW-UHFFFAOYSA-N 424.563 3.422 0 40 HGAB O=C(Nc1ccc(F)cc1Br)c1cn(C[C@@H](O)c2ccsc2)nn1 225582916 HNGHSYITQBYGSS-CQSZACIVSA-N 411.256 3.227 0 40 HGAB O=S(=O)(c1ccccc1OC(F)(F)F)N1CCC(Oc2ccncc2)CC1 252485392 GTQZKPWJPWWAKP-UHFFFAOYSA-N 402.394 3.212 0 40 HGAB O=C(c1ccccc1CN1CCCC1)N1CCOC[C@@H](Cc2ccc3nccn3c2)C1 257275024 NNQWZXUQZULSPF-NRFANRHFSA-N 418.541 3.261 0 40 HGAB C[C@@H]1CC[C@@H]2[C@@H](C1)c1c(ccc(C(=O)NCC3(O)CCN(C)CC3)c1O)OC2(C)C 257276439 NTTQYXYQLHOELY-KBAYOESNSA-N 416.562 3.270 0 40 HGAB Cc1nc(C(=O)N2C[C@@H]3c4cc(-c5ccoc5)ccc4S(=O)(=O)[C@H]3C2)cs1 306137475 QXIICGRVVMZTBS-QAPCUYQASA-N 400.481 3.107 0 40 HGAB CCOC(=O)Nc1cc(S(=O)(=O)Nc2ccc(OC)c(OC)c2)ccc1OC 408586294 NENHTTFECFKXCG-UHFFFAOYSA-N 410.448 3.082 0 40 HGAB CCc1ccc(N2C(=O)/C(=C/c3ccccc3OC)N(CC(=O)OC)C2=S)cc1 409062539 WKMDIUYPJFELJO-AQTBWJFISA-N 410.495 3.405 0 40 HGAB COc1ccc(C)cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(F)cc2)C1 409392337 RJCPOTAOGZVMFS-HNNXBMFYSA-N 406.479 3.182 0 40 HGAB Cc1ccc(Oc2ccc(OCC(=O)NCCC(=O)N=c3cc[nH]cc3)cc2)cc1 524357164 GLVJWFLRRWDLKF-UHFFFAOYSA-N 405.454 3.128 0 40 HGAB COc1ccc(CN2CCC(NC(=O)CC3(n4cccc4)CCOCC3)CC2)cc1 524733144 ZBSJKCLAZPIBTJ-UHFFFAOYSA-N 411.546 3.173 0 40 HGAB Cc1cncc(CO[C@H]2CCOC3(C2)CN(C(=O)c2ccc4c(ccn4C)c2)C3)c1 575404591 NWIXSVYKPAZTTC-NRFANRHFSA-N 405.498 3.472 0 40 HGAB Cc1c(Cc2ccc(-n3cccn3)cc2)cc2c(c1F)CN([C@H]1COCC[C@@H]1O)C2=O 1772572867 WFSARWQASFQZMG-VXKWHMMOSA-N 421.472 3.016 0 40 HGAB O=C([C@H]1Cc2ccccc2CN1S(=O)(=O)c1cccs1)N1CCCCCC1 794040 SVGCHEWEZBDBQU-GOSISDBHSA-N 404.557 3.266 0 40 HGAB COc1cc(OC)c(CN2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)cc1Br 1321356 KHNQWCJGAIVEJQ-UONOGXRCSA-N 419.319 3.247 0 40 HGAB biogenic O=C(Nc1ccc(F)c(Cl)c1)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 1431576 QGOVVFWCQSPAEN-INIZCTEOSA-N 400.834 3.410 0 40 HGAB COCCN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc(Cl)cc2)C1=O 2102940 SQJIYSHGLGXDMO-DENIHFKCSA-N 423.900 3.153 0 40 HGAB biogenic O=C(O)C1CCN(C(=O)COc2ccc3c(-c4ccccc4)cc(=O)oc3c2)CC1 2114233 XJLBKBJVCLOGFP-UHFFFAOYSA-N 407.422 3.162 0 40 HGAB biogenic CCOC(=O)C1=C(c2ccccc2)Nc2ncnn2[C@H]1c1ccc(O)c(OCC)c1 2200437 RBTSIEDCAIBAAN-FQEVSTJZSA-N 406.442 3.372 0 40 HGAB Cc1ccc(-n2c3nc(=O)n(C)c(=O)c-3cc3c(C)nn(-c4ccccc4)c32)c(C)c1 2215052 YYWYNFUMNMNQCJ-UHFFFAOYSA-N 411.465 3.300 0 40 HGAB Cc1cc(OC(=O)CNC(=O)OCc2ccccc2)c2c3c(c(=O)oc2c1)CCC3 2375991 XEUUKDJMASIPAL-UHFFFAOYSA-N 407.422 3.422 0 40 HGAB COc1cc(O)ccc1OCCNC[C@H](O)COc1cccc2[nH]c3ccccc3c12 2528509 ZCJHEORDHXCJNB-KRWDZBQOSA-N 422.481 3.444 0 40 HGAB endogenous,world COCCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1ccc(OCc2ccccc2)cc1 2683815 KIDPTMONCTWESL-OAQYLSRUSA-N 410.470 3.425 0 40 HGAB Cc1nn(-c2ccccc2)c2c1[P@@](=O)(N1CCOCC1)N(C)C(c1ccccc1)=N2 3197738 BVIGOWRPYONRFZ-PMERELPUSA-N 421.441 3.355 0 40 HGAB CCOC(=O)c1ccccc1NC(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O 3467708 YWBFSAYHSMHTNA-UHFFFAOYSA-N 402.756 3.336 0 40 HGAB CCCCNC(=O)CCc1nnc2n(CCc3ccccc3)c(=O)c3ccccc3n12 4335279 PIUSPHNFHZVVSX-UHFFFAOYSA-N 417.513 3.136 0 40 HGAB O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccccc1)NCCc1ccccc1 4696400 SNJBEQAASKTGIG-UHFFFAOYSA-N 422.550 3.279 0 40 HGAB Cc1ccc(NC(=O)c2nnn(Cc3ccc(F)cc3)c2N)c(Br)c1 4852309 PBLVCVPPLGBTNJ-UHFFFAOYSA-N 404.243 3.371 0 40 HGAB CCOc1ccc(-n2ccnc(SCC(=O)Nc3ccc(OC)cc3)c2=O)cc1 4853238 YNDXKNOYFXDTAK-UHFFFAOYSA-N 411.483 3.371 0 40 HGAB CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N2CCCCCC2)cc1 4938254 RGNAJKQAFMUAHV-UHFFFAOYSA-N 415.515 3.462 0 40 HGAB CC(C)(C)NC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 4980112 RYQWUSRNENSHGM-UHFFFAOYSA-N 408.951 3.488 0 40 HGAB COc1cccc(NC(=O)CSc2nnc(-c3ccncc3)n2-n2cccc2)c1 5242240 ZVGUOPFSDUXYKQ-UHFFFAOYSA-N 406.471 3.192 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccccc3Cl)C2)cc1 6230499 VRJRRCICLJAORG-AWEZNQCLSA-N 408.907 3.388 0 40 HGAB Cc1ccc(NC(=O)Cc2nnc(SCC(=O)Nc3ccccc3C)n2C)cc1 6477005 AZSARBIZTBEFHP-UHFFFAOYSA-N 409.515 3.344 0 40 HGAB CC(C)Oc1ccc(C(=O)N(Cc2ccccc2F)[C@H]2CCS(=O)(=O)C2)cc1 6811061 UGDSROZIIWNQIS-SFHVURJKSA-N 405.491 3.442 0 40 HGAB COc1ccc(COC(=O)CN2C(=O)N[C@]3(C[C@@H](C)CC(C)(C)C3)C2=O)cc1F 6944554 UCCSWXOJTGTGHX-ZSEKCTLFSA-N 406.454 3.014 0 40 HGAB COc1cccc(C[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2nnn[nH]2)c1OC 8952528 ILHBMHYHVSHZRJ-CQSZACIVSA-N 421.379 3.201 0 40 HGAB Cn1c(=O)c2c(SCC(=O)c3ccccc3)nc(C3CCCCC3)nc2n(C)c1=O 9517480 QUFNBOPCTWNJCF-UHFFFAOYSA-N 424.526 3.050 0 40 HGAB O=C1COc2ccccc2N1CCC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 9582737 XYYNJDHQPFVPNS-GOSISDBHSA-N 422.481 3.327 0 40 HGAB COc1ccc2nc(CN3CCc4nc(N5CCC(C)CC5)[nH]c(=O)c4C3)ccc2c1 12117871 CCTGVTPWISABKT-UHFFFAOYSA-N 419.529 3.121 0 40 HGAB COc1ccc([C@@H]2c3cccn3CCN2S(=O)(=O)c2ccc(F)cc2)cc1OC 12361621 GOKSMDQTCQMRBS-OAQYLSRUSA-N 416.474 3.438 0 40 HGAB CC(C)(C)OC(=O)N[C@H](CC(=O)O)C1CCN(C(=O)OCc2ccccc2)CC1 12648361 UBHLDUJTRRPSSS-QGZVFWFLSA-N 406.479 3.403 0 40 HGAB c1csc(-c2nc(NC[C@@H]3CCCO3)ncc2-c2ccnc(N3CCOCC3)n2)c1 12666848 OQRJLRFRZZKPRU-HNNXBMFYSA-N 424.530 3.090 0 40 HGAB Cc1cc(C)c(NC(=O)CN(C)C(=O)c2nc(C)n(-c3ccc(F)cc3)n2)c(C)c1 12808009 ZAXJKPCFAFCOEB-UHFFFAOYSA-N 409.465 3.351 0 40 HGAB CCOC(=O)c1c(NC(=O)CSc2nnnn2C2CCCC2)sc2c1CCC2 12817904 IGIXHDVJLOAWLK-UHFFFAOYSA-N 421.548 3.246 0 40 HGAB CCN(Cc1cccc(F)c1)C(=O)CN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C 12855634 YYSNTDDMWHFXKP-QHCPKHFHSA-N 409.461 3.173 0 40 HGAB CN(CC(=O)Nc1cccc2ccccc12)C(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O 12889340 VGLHZXUAMACVNG-UHFFFAOYSA-N 416.437 3.168 0 40 HGAB CCOc1ccc(CCC2CCN(C(=O)Cn3nnc(-c4ccco4)n3)CC2)cc1 12975848 MQQULKUSCHRXBX-UHFFFAOYSA-N 409.490 3.203 0 40 HGAB C[C@H](C(=O)NCCCN1CCCCCC1)N1c2cccc3cccc(c23)S1(=O)=O 13670171 FLEDTDDXXJYLCJ-QGZVFWFLSA-N 415.559 3.119 0 40 HGAB Cc1ccc(C)c(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)c1 13710755 ACLDIEGRMPSNBJ-QGZVFWFLSA-N 402.516 3.494 0 40 HGAB COc1ccccc1/C=[N+]1\NC(=O)[C@@H](NC(=O)c2ccccc2)[C@@H]1c1ccc(C)cc1 13941605 JFHMWVJWVCOBJN-LIFFMEMSSA-O 414.485 3.020 0 40 HGAB C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)NCc3ccc(F)cc3)cc2)C1 14086290 IEEOVMJOQCJCLB-IYBDPMFKSA-N 404.507 3.422 0 40 HGAB CS(=O)(=O)N1CCC(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 14105640 WPDGVPXRQHHHEC-UHFFFAOYSA-N 418.359 3.334 0 40 HGAB C[C@@]1(c2ccccc2)NC(=O)N(Cc2cc3c(cc2Br)OCCO3)C1=O 14266276 DYZARGYZFFPKHD-IBGZPJMESA-N 417.259 3.188 0 40 HGAB CCN(CC)C(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(CCc3ccccc3)C2)cc1 16000964 GBDVJVAQKQRYQC-HXUWFJFHSA-N 407.514 3.198 0 40 HGAB COc1cc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCCN(C)C)ccc1O 16752087 IYEDMHPOLNRHJP-NRFANRHFSA-N 422.481 3.313 0 40 HGAB Cc1nc2cc(C(=O)NN3C(=O)NC4(CCCCC4)C3=O)ccc2n1-c1ccccc1 17114091 XXODLGIVHVMPHJ-UHFFFAOYSA-N 417.469 3.233 0 40 HGAB Cc1nc2nc(N)nn2c(C)c1CCC(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1 17963115 OVYJSEKBPDMDTP-SECBINFHSA-N 407.305 3.440 0 40 HGAB COc1ccc(C(=O)[C@H](C)OC(=O)CCn2c(=O)oc3cc(Cl)ccc32)cc1 19161386 HSGVISKGPDRYHH-LBPRGKRZSA-N 403.818 3.461 0 40 HGAB CCNC(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CCCN(C(=O)c2ccccn2)C1 19528628 DKLRSVCMEGZXIE-XMMPIXPASA-N 418.497 3.338 0 40 HGAB CC(C)c1csc(NC(=O)c2ccc(C3CCN(S(C)(=O)=O)CC3)nc2)n1 19708228 OHMJWOSKDMRERH-UHFFFAOYSA-N 408.549 3.053 0 40 HGAB COc1ccc(C(=O)NC(=S)Nc2cc(C(=O)O)cc(Cl)c2OC)cc1OC 20153441 JRMXYIORHOCLSZ-UHFFFAOYSA-N 424.862 3.191 0 40 HGAB Cc1ccc([C@H](c2c(O)cc(C)n(Cc3ccco3)c2=O)N2CCN(C)CC2)cc1 22698263 BBPCEGKWDKMPOC-HSZRJFAPSA-N 407.514 3.149 0 40 HGAB Cc1ccc(S(=O)(=O)N(C/C=C/c2ccccc2)C(=O)N2CCN(C)CC2)cc1 22996614 ZRQOLHAMXFBSJS-RMKNXTFCSA-N 413.543 3.067 0 40 HGAB CCOc1cc(COC(=O)CN2C(=O)c3ccccc3C2=O)ccc1OC(F)F 24830848 FFSPSXPCMAWLTQ-UHFFFAOYSA-N 405.353 3.026 0 40 HGAB Cc1ccc(CCC(=O)N2CCN(S(=O)(=O)c3cccs3)CC2)cc1Cl 24991538 KDZOVEQRECOGQY-UHFFFAOYSA-N 412.964 3.176 0 40 HGAB COc1cccc(Nc2nc(Nc3ccccc3OC)nc(N3CCOCC3)n2)c1 27643298 QCZKJLAOBMRABV-UHFFFAOYSA-N 408.462 3.213 0 40 HGAB CC1CCN(Cc2ccc(CNC(=O)c3ccc4c(c3)C(=O)N(C)C4=O)cc2)CC1 29358711 KUAAIYRCHYLFAY-UHFFFAOYSA-N 405.498 3.074 0 40 HGAB CCN(CC(=O)NC(C)C)CC(=O)N1CCc2sccc2[C@@H]1c1cccs1 32856057 YLQCASTVYWDNPL-HXUWFJFHSA-N 405.589 3.130 0 40 HGAB COc1cc(OC)c2c(C)c(CC(=O)Nc3nnc(C(C)(C)C)s3)c(=O)oc2c1 36357686 RAUBLIPLWFHNEV-UHFFFAOYSA-N 417.487 3.449 0 40 HGAB O=C(CN1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1)NCc1ccccc1 36391016 XDJUMCYTEBHTEF-UHFFFAOYSA-N 421.328 3.459 0 40 HGAB C[C@H](c1ccccc1)N1C(=O)[C@H](CCC(=O)Nc2ccc3c(c2)OCCO3)N=C1O 36593292 MNNANYTVBNVIPD-PBHICJAKSA-N 409.442 3.063 0 40 HGAB Cc1c2c(C(F)(F)F)cc(=O)n(CCC(=O)Nc3ccc(Cl)cn3)c2nn1C 36621551 UJHMCEQZAZYYSD-UHFFFAOYSA-N 413.787 3.139 0 40 HGAB CC(=O)Nc1cccc(NC(=O)c2cn(-c3cccc(Br)c3)nn2)c1 40073388 TYIBKZJDTLTQGQ-UHFFFAOYSA-N 400.236 3.241 0 40 HGAB COC(=O)c1ccc(N2CCCC2)c(NC(=O)N2CCN(c3ccccc3O)CC2)c1 40104493 IBVVWPRIXSEBQT-UHFFFAOYSA-N 424.501 3.133 0 40 HGAB CC(C)[C@@H](CNC(=O)Cc1cc2ccccc2[nH]c1=O)N1CCc2ccccc2C1 40108713 WEJQGGKTVFFGTQ-HSZRJFAPSA-N 403.526 3.270 0 40 HGAB CCc1ccc(CNC(=O)C(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)s1 41883983 GNMJXBDSJNFWMB-ZIAGYGMSSA-N 419.522 3.318 0 40 HGAB CCN(CC)c1ccc(NC(=O)c2sccc2S(=O)(=O)N2CCCCC2)cn1 48286213 VPQBDTMGDDNJTA-UHFFFAOYSA-N 422.576 3.416 0 40 HGAB COc1ccc(-c2nc(C)cc3nn(CC(=O)Nc4c(C)cccc4C)c(=O)n23)cc1 49407079 ONRSJYAXTODLLU-UHFFFAOYSA-N 417.469 3.131 0 40 HGAB Cc1nc(-c2ccc(NC(=O)N(CCc3ccccc3)CCN(C)C)cc2)cc(=O)[nH]1 58077578 IAJWCSNZJRJOHZ-UHFFFAOYSA-N 419.529 3.384 0 40 HGAB Cc1ccc2c(c1)N(S(C)(=O)=O)CC[C@H](C(=O)Nc1ccc(F)c(Cl)c1)O2 64988618 WEKNMXKLFZFORV-QGZVFWFLSA-N 412.870 3.343 0 40 HGAB O=C(Nc1nc(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)co1)C1CC1 70638776 LXLKHFPOQUBJLK-UHFFFAOYSA-N 408.380 3.004 0 40 HGAB Cc1ccccc1[C@H]1C[C@@H](O)[C@@H](O)[C@@H]1NC(=O)c1cccnc1Oc1ccccc1 77261725 IZCXATRBXUDKOF-GXRSIYKFSA-N 404.466 3.190 0 40 HGAB biogenic,in-vitro Cc1ccc(S(=O)(=O)C2(C(=O)Oc3ccc(N4CCCC4=O)cc3)CCC2)cc1 95373474 KCMSHVYXUXXZJD-UHFFFAOYSA-N 413.495 3.424 0 40 HGAB COc1ccccc1C(=O)NCCC(=O)N[C@H](CCc1ccccc1)C(F)(F)F 95465879 YAQCZLIVVHLPLV-GOSISDBHSA-N 408.420 3.495 0 40 HGAB CC(C)CCN1Cc2c(C(=O)NC3CCCC3)ncn2-c2ccccc2S1(=O)=O 96147511 UHKVNEMDVRQDQD-UHFFFAOYSA-N 416.547 3.095 0 40 HGAB CCN(CC)S(=O)(=O)c1cccc(C2=N/C(=C/c3cccc(F)c3)C(=O)O2)c1 98004278 VTHXCGWNOAHFMY-LDADJPATSA-N 402.447 3.201 0 40 HGAB CCc1onc(C)c1C(=O)N[C@H](Cc1cc(O)n2nc(C)cc2n1)c1ccc(F)cc1 100220695 XKUVTIVKIBTUBJ-QGZVFWFLSA-N 423.448 3.455 0 40 HGAB O=C(NCc1ccncc1)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(Cl)cc2)CC1 101494014 BICUTHRQXKDXLJ-WOVMCDHWSA-N 421.950 3.136 0 40 HGAB C[C@H](C(=O)NCc1ccc(F)cc1)N(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 220202628 SFMIZSQEFDLLHY-GFCCVEGCSA-N 418.412 3.315 0 40 HGAB CCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CCc1ccc(OC)c(OC)c1 222976153 PIAZJVUNQQSSJW-INIZCTEOSA-N 416.493 3.329 0 40 HGAB CC[C@@H](NC(=O)CN(Cc1ccc(C)cc1)S(C)(=O)=O)c1ccc(OC)c(C)c1 224934860 RVZPQPZTLPYATH-HXUWFJFHSA-N 418.559 3.341 0 40 HGAB CCNC(=S)Nc1nc(Sc2ncccn2)cc(N2Cc3ccccc3C2)n1 225883254 UQFMDAGATPPHRL-UHFFFAOYSA-N 409.544 3.244 0 40 HGAB COCCCNC(=S)Nc1nc(N2CCCCC2)cc(N2CCC(C)CC2)n1 225900518 GSHBPLLPTXOCBQ-UHFFFAOYSA-N 406.600 3.026 0 40 HGAB O=C(NS(=O)(=O)c1ccccc1Br)c1cccc(-n2cccc2)c1 257208358 BLWITXUWOBQBFN-UHFFFAOYSA-N 405.273 3.359 0 40 HGAB O=C(NCC[C@H]1CCCCN1C(=O)c1cccc(Cn2cncn2)c1)c1ccccc1 257256500 KLSVOOKDYJVWNY-JOCHJYFZSA-N 417.513 3.141 0 40 HGAB CCCNC(=S)Nc1nc(Sc2ncccn2)cc(N2CCC[C@H](C)C2)n1 260735295 GKVLCTYIHSMRDM-ZDUSSCGKSA-N 403.581 3.351 0 40 HGAB CC(C)N1CC2(CCN(Cc3ccoc3)CC2)COc2ccccc2S1(=O)=O 306141757 WFOIKWWYMIDJBA-UHFFFAOYSA-N 404.532 3.354 0 40 HGAB Cn1ccc2cc(C(=O)N3CC4(C3)OCC[C@H]4CCOCc3ccccn3)ccc21 306141874 WIVMGRPDZUAFDI-HXUWFJFHSA-N 405.498 3.411 0 40 HGAB CC[C@H](C)NC(=O)CN(CCc1ccccc1)S(=O)(=O)c1cc(C)ccc1OC 408626559 ZQCHODLFCSDHRK-SFHVURJKSA-N 418.559 3.152 0 40 HGAB O=C(c1cccc(Oc2ccc(F)cc2)c1)N1CCN(c2ncc(F)cn2)C(=O)C1 1775966007 ORHFPZQMTYHBQD-UHFFFAOYSA-N 410.380 3.036 0 40 HGAB Cc1cnc(Nc2cccc([C@@H]3CN(CC(=O)N4CCCCCC4)CCO3)n2)s1 2037834666 AVIBCRCELYARGE-SFHVURJKSA-N 415.563 3.366 0 40 HGAB CC1CCN([C@@H]2CSC3(C2)CN(S(=O)(=O)c2ccc4ncsc4c2)C3)CC1 2056223628 WYPMSUWRBRNAPQ-HNNXBMFYSA-N 423.629 3.277 0 40 HGAB CN(c1cccc(NC(=O)COc2ccc(Cl)cc2Cl)c1)S(C)(=O)=O 628371 CKQHICUJBNUTRD-UHFFFAOYSA-N 403.287 3.407 0 40 HGAB COC(=O)c1ccc([C@@H]2C(C(=O)Nc3ccccc3OC)=C(C)Nc3ncnn32)cc1 807887 JJLXTDDOHNWKPP-LJQANCHMSA-N 419.441 3.001 0 40 HGAB COc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)N3CCC(C)CC3)cc2c1 892809 GCEKWTCOCJINQG-OAQYLSRUSA-N 422.533 3.460 0 40 HGAB Cc1cc(C)nc(SCc2nnc(SCC(=O)OCc3ccccc3)n2C)n1 907075 SUFNZHGBPODCFM-UHFFFAOYSA-N 415.544 3.350 0 40 HGAB O=C(Nc1ccccc1)NC1(C(=O)N2CCN(C(=O)c3ccco3)CC2)CCCCC1 1344812 VEQASQOCMXAYTH-UHFFFAOYSA-N 424.501 3.089 0 40 HGAB CN(C)c1ccc(NC(=O)CN(Cc2cccnc2)C(=O)Cc2ccccc2)cc1 1418779 VSVQEPABCNEPHL-UHFFFAOYSA-N 402.498 3.358 0 40 HGAB COc1ccc(-c2nnnn2C(C)C)cc1S(=O)(=O)Nc1ccc(C)c(C)c1 1464699 MFXXNZKMGLAEHV-UHFFFAOYSA-N 401.492 3.347 0 40 HGAB CC(=O)C1=NN(c2ccc(Cl)cc2)[C@H](c2ccc3c(c2)OCO3)N(C(C)=O)N1C 2210032 RLGNUIFXUXOZOH-FQEVSTJZSA-N 414.849 3.185 0 40 HGAB CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC(=O)O 2506607 BVPMIIMLKAWZFO-QKKBWIMNSA-N 410.470 3.141 0 40 HGAB in-vitro CC(=O)Nc1ccc(NC(=O)[C@H](C)OC(=O)/C=C/c2cnc3ccccc3n2)cc1 2617254 AXKBNMHFGIKHEQ-GETOMWPZSA-N 404.426 3.172 0 40 HGAB COc1cc(OC)cc(C(=O)N[C@H](C(=O)NCCc2c[nH]c3ccccc23)C(C)C)c1 2634655 SGBQKZOEBFAGSJ-QFIPXVFZSA-N 423.513 3.298 0 40 HGAB CC(=O)Nc1ccc(NC(=O)[C@H](C)Sc2nnc(-c3ccc(C)cc3)n2N)cc1 3299916 QHDBETFRNIATJB-ZDUSSCGKSA-N 410.503 3.045 0 40 HGAB C[C@@H](NC(=O)CN(C)CC(=O)Nc1ccccc1Br)c1ccccc1 3449331 JCZGDJRWJWVOEW-CQSZACIVSA-N 404.308 3.197 0 40 HGAB CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2ccc3c(c2)OCO3)c1 3597838 LRDSRAOZUFAIGD-UHFFFAOYSA-N 410.451 3.493 0 40 HGAB Cc1cc2cc(CN(CCN(C)C)C(=S)NCc3ccco3)c(=O)[nH]c2cc1C 4133565 ZFRZFSNWWRAZBB-UHFFFAOYSA-N 412.559 3.176 0 40 HGAB Cc1c(C)n2c3c(=O)n(C)c(=O)n(C)c3nc2n1-c1ccc(Oc2ccccc2)cc1 4250865 JGWGABPKHMZRGW-UHFFFAOYSA-N 415.453 3.085 0 40 HGAB COc1cccc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2ccccc2F)c1OC 4276393 WRZXHNWIDNXJOK-QGZVFWFLSA-N 401.463 3.274 0 40 HGAB CCc1ccc2c(c1)cc(CN(C(=S)NCCOC)C1CCCC1)c1nnnn12 4910959 PZMDBQYJTIAXNM-UHFFFAOYSA-N 412.563 3.105 0 40 HGAB O=C(COc1ccc(F)cc1)N(Cc1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 5119059 PRVGXOXHLGLNLH-KRWDZBQOSA-N 411.882 3.074 0 40 HGAB CS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc21 5136867 GWSGPHYWISIFNF-UHFFFAOYSA-N 416.524 3.353 0 40 HGAB Cc1ccc2cc(/C=C(\NC(=O)c3ccccc3)C(=O)NCCO)c(Cl)nc2c1 5346146 JTHULIDCQDGVTD-UYRXBGFRSA-N 409.873 3.076 0 40 HGAB COc1ccc(OC)c(COc2ccc([C@@H]3N[C@H](C(=O)O)CS3)cc2OC)c1 6230072 POBPVKYBYXQROA-HNAYVOBHSA-N 405.472 3.080 0 40 HGAB COc1ccccc1N1CCN(c2c(Cc3ccccc3)c(C)nc3ncnn23)CC1 6669475 ZMKODLKXAILIDZ-UHFFFAOYSA-N 414.513 3.359 0 40 HGAB C[C@@H](OC(=O)c1c2c(nc3ccccc13)CC[C@H](C(C)(C)C)C2)C(=O)N1CCNC1=O 7119930 YBGUEHJAZZOICV-CABCVRRESA-N 423.513 3.483 0 40 HGAB C[C@@H](OC(=O)c1ccccc1NCCO)C(=O)Nc1cccc(Br)c1 7131946 OLTYXFVMBWMCAP-GFCCVEGCSA-N 407.264 3.037 0 40 HGAB CCC(=O)Nc1ccc(C(=O)Cn2nnc(-c3ccc(Br)cc3)n2)cc1 7148687 MFAXAYNMPPFMCV-UHFFFAOYSA-N 414.263 3.334 0 40 HGAB CCn1c(SCC(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C)C3)nnc1C1CC1 7618218 VMNWXWMMQOZUHA-JTQLQIEISA-N 419.576 3.191 0 40 HGAB COc1cc(C(=S)N2CCOCC2)ccc1OCC(=O)Nc1cc(C)ccc1C 8369980 YWXWVTICQFYOLA-UHFFFAOYSA-N 414.527 3.337 0 40 HGAB CC(C)Sc1nc(N2CCCC2)c2cnn(CCNC(=O)c3cccs3)c2n1 8797807 RJCGTGBHYAZLAX-UHFFFAOYSA-N 416.576 3.419 0 40 HGAB CSc1nc(NC(C)C)c2cnn(CCNC(=O)Cc3ccc(Cl)cc3)c2n1 8941774 XRSKLGIRGJWMIF-UHFFFAOYSA-N 418.954 3.381 0 40 HGAB CCOC(=O)c1c(C)[nH]c(C(=O)CN2C(=O)[C@H](C)N(c3ccc(C)cc3)C2=O)c1C 9253405 BEZCBEHRVKQFHE-HNNXBMFYSA-N 411.458 3.157 0 40 HGAB COc1ccccc1NC(=O)CN(Cc1ccco1)C(=O)c1cn2ccccc2n1 9366881 RYWWMXNWLWEUKB-UHFFFAOYSA-N 404.426 3.217 0 40 HGAB CCCn1c(S[C@H](C)C(=O)NC[C@H]2CCCO2)nc2cc(Cl)ccc2c1=O 9398838 CCEYCDUPPKQQPS-TZMCWYRMSA-N 409.939 3.236 0 40 HGAB CCOc1ccccc1NC(=O)CSc1ncnc2c1nnn2Cc1ccccc1 9416749 GVITXKLTPOVALK-UHFFFAOYSA-N 420.498 3.399 0 40 HGAB Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCc2ccc(Cl)cc2Cl)cc1 10039367 ABFWOBRUUIMGPH-LBPRGKRZSA-N 401.315 3.285 0 40 HGAB NC(=O)c1c(NC(=O)CSc2ccc3c(c2)OCCO3)sc2c1CCCC2 10109657 XNAUUYZQIFFNHS-UHFFFAOYSA-N 404.513 3.228 0 40 HGAB Cc1cc(-c2cnc(NC(C)C)nc2C2CCN(C(=O)c3cnn(C)c3C)CC2)on1 12156484 PTTMAGVXSMBBKQ-UHFFFAOYSA-N 423.521 3.322 0 40 HGAB Cc1cc(O)n2nc([C@H]3CCCCN3C(=O)CCc3cc(OC(C)C)no3)cc2n1 12161153 ZGESKCZFNDGIFG-QGZVFWFLSA-N 413.478 3.205 0 40 HGAB Cc1ccccc1-n1nc(C)c(CC(=O)N(CCN(C)C)Cc2cccnc2)c1C 12238273 PYZGEGPBPPSOCJ-UHFFFAOYSA-N 405.546 3.325 0 40 HGAB COc1ccc(CC(=O)N[C@@H]2CC(C)(C)Cc3nc(-c4cnccn4)ncc32)cc1F 12239063 KZPUAJPBSDLDSX-QGZVFWFLSA-N 421.476 3.454 0 40 HGAB CCc1cc(C(F)(F)F)n2nc([C@@H]3CCCCN3C(=O)c3nonc3C)cc2n1 12276465 BIOMKXMOOCGFFK-ZDUSSCGKSA-N 408.384 3.369 0 40 HGAB CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)OCC(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C 12531340 GWMDAVQEBFMDBC-QIJLZVCCSA-N 406.498 3.064 0 40 HGAB Cc1nn(Cc2ccccc2)c2sc(C(=O)NCCc3nnc4ccccn34)cc12 12613912 GJDPGZFMPKQMGI-UHFFFAOYSA-N 416.510 3.470 0 40 HGAB O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)/C=C/c2ccc3c(c2)OCO3)CC1 12693202 OCHBHUABCLLIIX-QHHAFSJGSA-N 422.437 3.035 0 40 HGAB C[C@H](NC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1)c1ccc2c(c1)OCCO2 12746454 NQOWDJSOLCEZMK-NSHDSACASA-N 409.269 3.372 0 40 HGAB CC[C@@H]1CN(S(=O)(=O)c2cc(Br)ccc2Br)CCO1 12805462 GQHVUBRNMJBQEK-SNVBAGLBSA-N 413.131 3.011 0 40 HGAB COCCN(CC(=O)Nc1ccccc1I)Cc1ccccc1 12971481 BEFNBCRUZBICFZ-UHFFFAOYSA-N 424.282 3.378 0 40 HGAB CCCCCN(C(=O)NC(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2)S(C)(=O)=O 13014975 FBXXZLGLCSEVER-KMYSJOAASA-N 413.584 3.462 0 40 HGAB CS(=O)(=O)c1cccc(NC(=O)CN2CCC(c3nc4ccccc4o3)CC2)c1 14183422 OUTWLNLXDIOJHJ-UHFFFAOYSA-N 413.499 3.049 0 40 HGAB O=C(CCc1ccco1)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 14188590 GBRKUGPEFDYPLL-UHFFFAOYSA-N 417.314 3.052 0 40 HGAB COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(NC(=O)C2CC2)cc1 14234748 PPDUDMIYVFUAIO-HXUWFJFHSA-N 405.454 3.031 0 40 HGAB CCCS(=O)(=O)N1CCCc2cc(NC(=O)COc3ccccc3OC)ccc21 17286750 UUNQISGVNWWOHC-UHFFFAOYSA-N 418.515 3.205 0 40 HGAB CC1(C)Oc2ccc(C(=O)c3ccco3)cc2N(CC(=O)NC2CCCCC2)C1=O 19460249 LOPJYYZSXNVPAJ-UHFFFAOYSA-N 410.470 3.464 0 40 HGAB COc1ccccc1CN1CCC(c2n[nH]cc2C(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 19497348 DBYOCWTVEMLRTR-IAGOWNOFSA-N 412.534 3.047 0 40 HGAB CCOc1ccccc1C(=O)N1CCCC[C@H]2CN(C(=O)CC[C@@H]3CCCO3)C[C@H]21 19520095 YYOZZCCEBKWNNI-IRFCIJBXSA-N 414.546 3.498 0 40 HGAB CC(=O)N1CCC[C@H]1c1nc2c(c(NCCOc3cccc(C)c3C)n1)CCN(C)C2 19752908 BIZCBLCICYBONS-NRFANRHFSA-N 423.561 3.256 0 40 HGAB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1cc(Cl)ccc1OC 20009339 QSTWBWRHQWTXPZ-YOEHRIQHSA-N 424.950 3.153 0 40 HGAB O=S(=O)(c1cccs1)N1CCN(Cc2nc(-c3ccccc3)cs2)CC1 22605492 KMVMNZSQXXZAJW-UHFFFAOYSA-N 405.570 3.378 0 40 HGAB COC(=O)c1ccc(NC(=O)C[C@H]2CCCCN2S(=O)(=O)c2cccs2)cc1 22732404 FWPCVIJMCPEJKD-MRXNPFEDSA-N 422.528 3.107 0 40 HGAB COC(=O)c1ccc(OS(=O)(=O)c2ccccc2OC(F)(F)F)c(OC)c1 23393442 KEDFWZBQUMZQJJ-UHFFFAOYSA-N 406.334 3.148 0 40 HGAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1cc2ccc(F)cc2nc1C 25046603 IDIIEMAOPIRKMX-UHFFFAOYSA-N 417.462 3.194 0 40 HGAB COc1ccc([C@@H]2CCCN2C(=O)CN2C(=O)N[C@@](C)(c3ccc(C)cc3)C2=O)cc1 27153750 PVNUGXYVGHYUEA-RDPSFJRHSA-N 421.497 3.134 0 40 HGAB CC[C@H](C)c1ccccc1N1C[C@@H](C(=O)N2CCN(C(=O)c3ccco3)CC2)CC1=O 27155788 ACBWCWMWKKCMRE-ROUUACIJSA-N 423.513 3.131 0 40 HGAB CCOc1ccccc1C(=O)Nc1nnc(S(=O)(=O)Cc2cccc(C)c2)s1 27663677 FHTNWUDPNWXSEJ-UHFFFAOYSA-N 417.512 3.471 0 40 HGAB Cc1nn(Cn2ccc(C(=O)Nc3ccc(F)c(F)c3)n2)c(C)c1Br 27973493 YRVWYZXPNWJXJA-UHFFFAOYSA-N 410.222 3.495 0 40 HGAB C[C@@H]1Oc2ccc(NC(=O)c3cc(-c4ccc5c(c4)OCCO5)on3)cc2NC1=O 28291048 UECWCGZYELEUCU-NSHDSACASA-N 407.382 3.085 0 40 HGAB Cc1cccc(N2CCN(C(=O)c3ccc(NS(C)(=O)=O)c(Cl)c3)CC2)c1C 30755958 LEYIKNMSPKKMOP-UHFFFAOYSA-N 421.950 3.291 0 40 HGAB COc1cccc(C(=O)NC(=S)Nc2sc3c(c2C(N)=O)CCCCC3)c1 32125458 ZDGCQLAHHPVXAY-UHFFFAOYSA-N 403.529 3.251 0 40 HGAB Cc1csc(=O)n1CCCC(=O)NCC1(c2ccc3c(c2)OCCO3)CCCC1 32842171 APNBIPAKBGIZHT-UHFFFAOYSA-N 416.543 3.398 0 40 HGAB CN1CCN(C(=O)CSc2nnc(Cc3cccs3)n2C2CCCCC2)CC1 32945205 YXRQFGYULCEPNU-UHFFFAOYSA-N 419.620 3.302 0 40 HGAB CCOc1ccc(NCC(=O)Nc2ccc(S(=O)(=O)N(CC)CC)cc2)cc1 36395721 PEEOVVFFCHNPGE-UHFFFAOYSA-N 405.520 3.166 0 40 HGAB CCc1cccc(CC)c1NC(=O)[C@@H]1CCN(S(C)(=O)=O)c2ccccc2O1 38856273 AVQGDTJLLWZOCH-IBGZPJMESA-N 402.516 3.367 0 40 HGAB C[C@@H](Oc1ccc(C(=O)NC2CCN(c3ncccn3)CC2)cn1)c1ccccc1 40134380 XUAJLOVBGZBKDE-QGZVFWFLSA-N 403.486 3.410 0 40 HGAB O=C(Nc1nccs1)C1CCN(C(=O)COc2ccccc2C(F)(F)F)CC1 40150267 CTOVKWQWZWTSQD-UHFFFAOYSA-N 413.421 3.418 0 40 HGAB COc1ccc([C@H](C)NC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)cc1 44883180 ZEKIOQYWOCRLJD-AWEZNQCLSA-N 408.545 3.035 0 40 HGAB COc1ccccc1C(=O)N1CCCN(C(=O)c2cc(Cl)ccc2OC)CC1 55708258 YYCCAIMNNFCJOG-UHFFFAOYSA-N 402.878 3.346 0 40 HGAB Cn1c(=O)c2sccc2n(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1=O 57426462 NPDCDQHCEJNYRA-UHFFFAOYSA-N 417.796 3.073 0 40 HGAB CN(C)S(=O)(=O)c1cccc(NC(=O)c2cccc(OCc3cccnc3)c2)c1 58114583 QHPACHKAIRDKNO-UHFFFAOYSA-N 411.483 3.163 0 40 HGAB COC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(N3CCSCC3)cc2C)c1 58440735 QQPLSLDEUUDFEC-UHFFFAOYSA-N 420.556 3.444 0 40 HGAB CCc1ccc(NC(=O)Cn2nc3cc(-c4ccc(OC)cc4)nc(C)n3c2=O)cc1 65196642 MJKRPEDAQPNINJ-UHFFFAOYSA-N 417.469 3.076 0 40 HGAB CC(C)(C)OC(=O)NCC(=O)N1Cc2cc3c(cc2C2(CCCC2)C1)OCCO3 65474292 UOUFZALDJSRPPT-UHFFFAOYSA-N 402.491 3.137 0 40 HGAB Cc1cnc(NC(=O)[C@H]2CSCN2C(=O)c2cc(-c3ccccc3F)on2)s1 65576447 DSUOHYYGTSMPCC-CQSZACIVSA-N 418.475 3.399 0 40 HGAB COc1ccccc1OCCNC[C@@H](O)COc1cccc2[nH]c3c(c12)CCCC3 65748810 DEZWFYYHJOWXBH-QGZVFWFLSA-N 410.514 3.464 0 40 HGAB in-vitro O=C1c2ccccc2C(=O)N1CCCC(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1 72346757 HZUFZKMJTDTOHL-IBGZPJMESA-N 402.454 3.303 0 40 HGAB Cc1cc(C)c2c(N)c(-c3nc(N)nc(N4CCc5ccccc5C4)n3)sc2n1 78549410 UNXDGMZVGZPWLW-UHFFFAOYSA-N 403.515 3.492 0 40 HGAB CCn1nc(C)c(-c2cc(C(=O)N3CCc4cc(OC)c(OC)cc4C3)[nH]n2)c1C 85878457 SQVXCWHAGBNIOM-UHFFFAOYSA-N 409.490 3.126 0 40 HGAB biogenic CC[C@H](c1ccccc1)N(CC(=O)OC)S(=O)(=O)c1cccc(C(=O)OC)c1C 89947883 SPINRIQTSYQHHG-GOSISDBHSA-N 419.499 3.097 0 40 HGAB C[C@H]1CCCC[C@@H]1OCCNC(=O)CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O 95350861 MGXOEKKMSXHYIG-ZBEGNZNMSA-N 413.301 3.301 0 40 HGAB COc1ccc(F)cc1C(=O)N(C)CCCN(C)C(=O)c1cc(F)ccc1OC 95410352 KHMVJHMLRJGJEJ-UHFFFAOYSA-N 406.429 3.216 0 40 HGAB COc1ccc(N2CCC[C@H](C(=O)N[C@@H](c3nc4ccccc4[nH]3)C(C)C)C2)nn1 95474140 NBSNZJQGUVUOAS-MGPUTAFESA-N 408.506 3.091 0 40 HGAB COc1cc2c(cc1OC)CC(=O)N(CC(=O)Nc1ccc(F)c(Cl)c1)C=C2 95478011 CSXQQIPKHDRBEC-UHFFFAOYSA-N 404.825 3.490 0 40 HGAB CC(C)n1cnc2ccc(NC(=O)CCCn3cnc4ccccc4c3=O)cc2c1=O 95478192 YFVFFZRXEDLBQP-UHFFFAOYSA-N 417.469 3.106 0 40 HGAB CCOC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2cc(C3CC3)[nH]n2)CC1 95948482 XFACRHJODISHJW-IBGZPJMESA-N 416.909 3.003 0 40 HGAB Cc1noc(C)c1CCC(=O)N1CCC[C@@H](c2cc3nc4c(c(O)n3n2)CCCC4)C1 100138544 DXUMUOLHUTYIPI-MRXNPFEDSA-N 423.517 3.257 0 40 HGAB Ic1ccc(C2=C[C@@H](c3ccccc3)n3nnnc3N2)cc1 100679665 VPXSZJUFCYEMBY-HNNXBMFYSA-N 401.211 3.334 0 40 HGAB CCOC(=O)CSc1nc2ccc(N3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2s1 103776572 VGSWIOPEJKFUGR-NXKWAJLKSA-N 414.508 3.263 0 40 HGAB COc1ccc([C@@H](C)NC(=O)c2cc3c(N4CCCC4)nc(C)cn3n2)cc1OC 169768745 XPLFMKGIUPIACI-OAHLLOKOSA-N 409.490 3.146 0 40 HGAB COc1ccc(C)cc1N([C@@H](C)C(=O)N1CCCc2ccccc21)S(C)(=O)=O 220341682 YPETUQHJLYQRRB-INIZCTEOSA-N 402.516 3.138 0 40 HGAB COc1ccc2c(c1)CCC[C@H]2NC(=O)c1cccc(N2CCCCS2(=O)=O)c1 224392479 FRAWZCXFVZZOAX-OAQYLSRUSA-N 414.527 3.433 0 40 HGAB CN([C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)c1ccccc1)S(C)(=O)=O 224895315 VKDATVHWSROIDU-OAHLLOKOSA-N 402.394 3.156 0 40 HGAB CCOc1cccc(N(CC(=O)Nc2ccc(N3CCCC3)cc2)S(C)(=O)=O)c1 224921190 ZGGFLZAVMRASGG-UHFFFAOYSA-N 417.531 3.090 0 40 HGAB CCCNC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)sc(=O)n2CC 225691942 XSNPLIOTDMWNKU-UHFFFAOYSA-N 419.528 3.024 0 40 HGAB O=C(N[C@H](C(=O)O)C12CC(C(=O)O)(C1)C2)OCC1c2ccccc2-c2ccccc21 253179451 BBUMEAUKYYYUBO-WDGBRCNXSA-N 407.422 3.233 0 40 HGAB O=C1COc2ccccc2C/C=C/C[C@@]2(CCCN(C(=O)c3ccccn3)C2)CN1 257232842 GMQRTNDNCNNZIE-ISTCRNMPSA-N 405.498 3.002 0 40 HGAB CC(=O)N1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)c1ccncn1 257237604 HHGFIQRLPPWWME-ACUMWEPGSA-N 418.541 3.482 0 40 HGAB Cc1ccc(CN2CC[C@]3(COCc4cnc(N5CCC(F)(F)CC5)nc43)C2)cn1 306134649 NUJMLHJYXMMRCU-OAQYLSRUSA-N 415.488 3.089 0 40 HGAB Cc1occc1C(=O)NCc1nn(C)c2sc(C(=O)N3CCC(C)CC3)cc12 306142161 WRQYRFLCOOMFGG-UHFFFAOYSA-N 400.504 3.338 0 40 HGAB CS(=O)(=O)c1ccc(CCC(=O)NC[C@@H](O)c2ccc(-c3ccsc3)o2)cc1 390831424 RTSYDWFDBZQQIQ-QGZVFWFLSA-N 419.524 3.194 0 40 HGAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)cc1C 408559837 NAWLJGMQWIRFRT-LBPRGKRZSA-N 416.421 3.328 0 40 HGAB O=C(COC(=O)c1cccc(N2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)c1)Nc1ccccc1 408656024 IGTXRQHYQXMPTA-VUEDXXQZSA-N 418.449 3.018 0 40 HGAB COc1ccc(C)cc1NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1OC 408701702 DEHUFKHZBJNSDW-UHFFFAOYSA-N 418.515 3.439 0 40 HGAB Cc1ccc(NC(=O)CN2C(=O)S/C(=C3\C(=O)Nc4ccccc43)C2=O)cc1C 409161335 SZFBMGZQOIWVND-ZCXUNETKSA-N 407.451 3.301 0 40 HGAB C[C@@H]1COc2ccccc2CCCCC2(CCN(Cc3cnn(C)c3)CC2)C(=O)N1 643562512 XZVMUASQEINESR-LJQANCHMSA-N 410.562 3.312 0 40 HGAB COc1cc(=O)n(C)cc1C(=O)N1CCC(c2ccc3cc(Cl)cnc3n2)CC1 1890261618 NMDLTHCOUJYSRL-UHFFFAOYSA-N 412.877 3.010 0 40 HGAB CCOC(=O)[C@H]1CCCN(C(=O)N[C@@]2(C(F)(F)F)Oc3ccc(Cl)cc3O2)C1 646259 SYKLQYCTRSITGN-BTDLBPIBSA-N 422.787 3.312 0 40 HGAB C[C@H](C(=O)OCC(=O)Nc1cc(Cl)ccc1Cl)N1C(=O)c2ccccc2C1=O 941661 QHEVZPJCTLPTRV-SNVBAGLBSA-N 421.236 3.160 0 40 HGAB COc1ccc([C@@H]2C[C@H](c3ccc(F)cc3)n3nc(N4C(=O)CCC4=O)nc3N2)cc1 2427301 YYELQKKSGFZIGL-ZWKOTPCHSA-N 421.432 3.226 0 40 HGAB Cc1cccc(NC(=O)c2cccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)c2)c1C 2619582 BTNNBAUXRJSSRE-HOTGVXAUSA-N 402.516 3.354 0 40 HGAB O=C(CSc1nnc2ccc(-c3ccccn3)nn12)N1CCCc2ccccc21 4376952 KBTGVSLUYNHTOU-UHFFFAOYSA-N 402.483 3.258 0 40 HGAB Cc1ccc(C)c(S(=O)(=O)NC[C@@H](c2ccco2)S(=O)(=O)c2ccccc2)c1 4519389 DZFPIJZVHVCDDM-FQEVSTJZSA-N 419.524 3.390 0 40 HGAB CS(=O)(=O)Nc1ccccc1C(=O)Nc1ccccc1C(=O)NC1CCCCC1 4742723 SVQBIMHDXXFSJK-UHFFFAOYSA-N 415.515 3.373 0 40 HGAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccccc3F)C2)cc1 4966965 JGSWMMVCSWKBJA-OAHLLOKOSA-N 406.479 3.264 0 40 HGAB Cc1ccc(CNC(=O)Cn2c3ccc(C)cc3c3nc4n(c(=O)c32)CCS4)cc1 4973410 DTDUCGUCFHUPJT-UHFFFAOYSA-N 418.522 3.390 0 40 HGAB COc1cccc([C@H]2c3c(n[nH]c3-c3cc(C)cc(C)c3O)C(=O)N2CCCO)c1 5343667 ZHGXLCWBZKEUKW-NRFANRHFSA-N 407.470 3.335 0 40 HGAB CC(C)(C)c1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3ccc4c(c3)OCO4)C2=O)cc1 5517475 MYAYEWKGGRZMTI-QHCPKHFHSA-N 423.469 3.119 0 40 HGAB Cc1c(C)c2cc(Cl)c(OCC(=O)NC[C@@H](O)c3ccccc3)cc2oc1=O 6659776 ZJLFPXXTFLEUEJ-QGZVFWFLSA-N 401.846 3.292 0 40 HGAB O=c1oc2ccccc2n1CN1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 7077466 SEOLFCAPFCOTIZ-UHFFFAOYSA-N 412.799 3.441 0 40 HGAB Cc1ccc(SCCNC(=O)CN2C(=O)[C@H](C)N(c3ccc(C)cc3)C2=O)cc1 7822764 IDDKSKOIWNKRJK-KRWDZBQOSA-N 411.527 3.369 0 40 HGAB CNC(=O)[C@@H]1CN(C(=O)COc2ccccc2Cc2ccccc2)c2ccccc2O1 7826119 SBHYADGVMLUYOL-QHCPKHFHSA-N 416.477 3.196 0 40 HGAB Cn1nnnc1SCC(=O)N1N=C(c2cc3ccccc3o2)C[C@@H]1c1ccco1 8189890 YBTJXQNLYPEZNK-CQSZACIVSA-N 408.443 3.019 0 40 HGAB Cc1occc1C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 8191781 RQOQPBIDCHTZDD-UHFFFAOYSA-N 403.287 3.042 0 40 HGAB CC(=O)c1cccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3c(C)cccc3C)C2)c1 8433815 PAXMBWKCBQDOER-SFHVURJKSA-N 408.454 3.041 0 40 HGAB Cc1ccccc1C(=O)NCC(=O)Nc1nc2c(s1)CN(Cc1ccccc1)CC2 8726705 PJYRSCGZRAILFN-UHFFFAOYSA-N 420.538 3.378 0 40 HGAB C[C@@H](NC(=O)COc1ccccc1Cc1ccccc1)c1cccc(S(N)(=O)=O)c1 8750181 HCPFFYUYDIWDCB-QGZVFWFLSA-N 424.522 3.181 0 40 HGAB Cc1ccc(N2C(=O)C[C@H](C(=O)OCC(=O)NCC(C)C)[C@@H]2c2cccs2)cc1 8923994 JUPZNEXOXPFUMV-LAUBAEHRSA-N 414.527 3.466 0 40 HGAB CCn1c(=O)n(CC)c2cc(NC(=O)CSc3nnc(-c4ccncc4)o3)ccc21 9236065 DGHLHEUDAKSMRO-UHFFFAOYSA-N 424.486 3.019 0 40 HGAB CCOc1ccc(N(C(=O)COc2ccc(Cl)cc2)[C@@H]2C=CS(=O)(=O)C2)cc1 9415829 OEWNFEOZNKXVGV-QGZVFWFLSA-N 421.902 3.461 0 40 HGAB CCc1cccc2c(C(=O)COC(=O)Cn3cc(C(F)(F)F)ccc3=O)c[nH]c12 9609421 BUSVDFBLSYQXME-UHFFFAOYSA-N 406.360 3.337 0 40 HGAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCCCn3ccnc3)ccc2C)c1 9668800 XHWJAZVSKGMLTH-UHFFFAOYSA-N 412.515 3.121 0 40 HGAB O=C(CCc1nc(-c2ccncc2)no1)Nc1ccccc1I 11326581 GMPVYBVWJOHELS-UHFFFAOYSA-N 420.210 3.308 0 40 HGAB COc1ccc(CCNS(=O)(=O)c2ccc(OC)c3ccccc23)cc1OC 11613833 PCGODNGTQAFOSV-UHFFFAOYSA-N 401.484 3.387 0 40 HGAB O=S(=O)(c1cccc(Cl)c1)N1CCN(c2ccc(-c3ccccc3)nn2)CC1 11695329 WEXCFYNJSSMJTG-UHFFFAOYSA-N 414.918 3.308 0 40 HGAB CCOc1cccc2s/c(=N/C(=O)CCS(=O)(=O)c3ccccc3)n(CC)c12 12063378 MRRXXRRDMOCGEQ-QZQOTICOSA-N 418.540 3.413 0 40 HGAB Cc1cc(-c2cnc3cc(C)nn3c2[C@@H]2CCCN(CC(=O)NC(C)(C)C)C2)on1 12121225 AEHSEUAYDXTWFO-MRXNPFEDSA-N 410.522 3.095 0 40 HGAB CC[C@H](C(=O)Nc1cc(C2CC2)nn1-c1nc2c(c(=O)[nH]1)CCC2)c1ccccc1 12129787 HZHYWWYXEOJFMH-INIZCTEOSA-N 403.486 3.454 0 40 HGAB O=C(CCn1[nH]c(=O)c2ccccc2c1=O)N[C@@H](c1ccccc1)c1cccs1 12270605 JSIZXSXNHUOHSM-FQEVSTJZSA-N 405.479 3.047 0 40 HGAB Cc1ccc2c(CC(=O)N3CCN(CC(=O)Nc4ccc(F)cc4)CC3)coc2c1 12569533 OPMCNVYIDYRQHY-UHFFFAOYSA-N 409.461 3.206 0 40 HGAB Cc1nc2ccccc2n1CC(=O)OCC(=O)Nc1ccccc1Br 12659178 YREKVUBMGQSCES-UHFFFAOYSA-N 402.248 3.289 0 40 HGAB CC[C@H]1CCc2nc3sc(C(=O)NCC(=O)O)c(N)c3c(C(F)(F)F)c2C1 12858039 FEVRTWJJTBZBHO-ZETCQYMHSA-N 401.410 3.227 0 40 HGAB CN(Cc1nc2ccccc2s1)CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O 12936615 USQYLALFWRECFM-QFIPXVFZSA-N 406.511 3.469 0 40 HGAB Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)N[C@@H]1CCS(=O)(=O)C1 13005715 REPQMBWUEYJVPA-GFCCVEGCSA-N 404.435 3.054 0 40 HGAB CCN(CC(=O)NC1CCCCCCC1)S(=O)(=O)c1cc(F)ccc1OC 13581294 QJOUELZCYHPRBY-UHFFFAOYSA-N 400.516 3.074 0 40 HGAB Cc1c(CCC(=O)N2CCN(Cc3ccccc3)CC2)c(=O)oc2cc(O)ccc12 13623683 GFZSUDIIPKFJOF-UHFFFAOYSA-N 406.482 3.084 0 40 HGAB C[C@@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccccc1S(=O)(=O)N(C)C 14199544 GELXGMFQPYCACU-CYBMUJFWSA-N 412.964 3.387 0 40 HGAB O=C(Oc1ccc(-n2cnnn2)cc1)c1nn(-c2ccc(F)cc2)c2c1CCCC2 14857083 YTKRCZZMCJPZRA-UHFFFAOYSA-N 404.405 3.085 0 40 HGAB COc1ccc(CCN(C)CC(=O)/C(C#N)=C2/Nc3ccccc3N2C)cc1OC 15544018 SQTWTIXUGGYMRM-QJOMJCCJSA-N 406.486 3.044 0 40 HGAB CCOC(=O)C1CCN(C(=O)Cc2csc(NC(=O)Nc3ccccc3)n2)CC1 15880530 ZSRCGSZUDAFEGQ-UHFFFAOYSA-N 416.503 3.131 0 40 HGAB COc1ccccc1[C@H](CNC(=O)c1ccc2c(c1)NC(=O)CS2)N1CCCC1 17793856 SBNPJMPVVFWVDC-SFHVURJKSA-N 411.527 3.306 0 40 HGAB CN(C)C(=O)[C@]1(Cc2ccc(-c3ccsc3)cc2)CCN(C(=O)c2ccnn2C)C1 19289077 PYHWCZLSYHNFMH-QHCPKHFHSA-N 422.554 3.312 0 40 HGAB O=C([C@@H]1CC(=O)N(C2CC2)C1)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1 19369472 HOSSYHUVSIYMAM-LJQANCHMSA-N 418.537 3.172 0 40 HGAB COc1ccc(CC(=O)N2CCC[C@@H]([C@@H]3C[C@H](C(F)(F)F)n4ncnc4N3)C2)cc1 19554149 HDEDOOFXFZNFNV-HYVNUMGLSA-N 423.439 3.056 0 40 HGAB COCC(=O)N1CCC[C@@H](c2nc(C)c3c(n2)N(Cc2ccc(OC)cc2)CCC3)C1 19706622 NWNUCBMAGWAJAN-LJQANCHMSA-N 424.545 3.099 0 40 HGAB C[C@H](c1cc(=O)[nH]c(N[C@H]2CCOc3ccccc32)n1)n1ncc2ccccc2c1=O 19717486 DVTBVCXVVQGGKE-KDOFPFPSSA-N 415.453 3.025 0 40 HGAB COC(=O)Cc1c(C)c2ccc3c(c2oc1=O)CN(CCc1ccc(OC)cc1)CO3 19882529 RHWVFRVPUBVSCH-UHFFFAOYSA-N 423.465 3.220 0 40 HGAB biogenic O=C(NCCSc1ccccc1)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 20898342 POMYVKUSIIBEMN-UHFFFAOYSA-N 418.584 3.137 0 40 HGAB Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2CCC(C(N)=O)CC2)c(C)c1 20901751 TYVHGTSGLAYGQO-UHFFFAOYSA-N 402.498 3.494 0 40 HGAB COc1cccc(CCCNC(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)c1 22330150 RGDSCVBTHKYJFH-UHFFFAOYSA-N 418.559 3.334 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N[C@@H](C)c2ccc(F)cc2)cc1 22537113 IQUNDLQUJXVMOA-HNNXBMFYSA-N 408.495 3.112 0 40 HGAB COc1ccc(NC(=O)CN(C)C(=O)c2nn(-c3ccccc3)c3c2CCC3)cc1 24649124 AWIPNZNUJJPWKM-UHFFFAOYSA-N 404.470 3.080 0 40 HGAB Cc1nn(CC(C)C)c(C)c1CCC(=O)Nc1nc(-c2c[nH]c(C(N)=O)c2)cs1 24750633 WFXLEEKCUDYSTM-UHFFFAOYSA-N 414.535 3.278 0 40 HGAB COCCOC(=O)C1=C(C)N(c2ccc3c(c2)OCO3)C(=O)N[C@@H]1c1ccccc1 25049382 QFRCHSVQGRYUCM-HXUWFJFHSA-N 410.426 3.150 0 40 HGAB C[C@H]1c2cccn2CCN1C(=O)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1 30799501 DJVLCECZUMXEAQ-UONOGXRCSA-N 402.292 3.207 0 40 HGAB CSCC[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NC[C@@H]1CCCO1 32975815 NTCINOXWIBQOAD-WFASDCNBSA-N 405.347 3.140 0 40 HGAB CC1=C2C[C@H]3[C@@H](CN4CCN(C(=O)c5ccco5)CC4)C(=O)O[C@@H]3C[C@]2(C)CCC1 33925137 UFAAOAUAAMIQQW-WQNDALKBSA-N 412.530 3.496 0 40 HGAB Cc1nc(N)n2c(SCC(=O)N(C)C3CCCCC3)nnc2c1Cc1ccccc1 35315343 QVBJJWSVPTYIGI-UHFFFAOYSA-N 424.574 3.489 0 40 HGAB COCC(=O)Nc1ccc(-c2noc([C@@H]3CCCN3Cc3ccccc3F)n2)cn1 35425646 HGLVIUUTIRXXHI-KRWDZBQOSA-N 411.437 3.193 0 40 HGAB biogenic,in-vitro CN(Cc1ccco1)C(=O)CN1C(=O)N[C@](C)(c2ccc(Cl)cc2Cl)C1=O 36820891 JEKRHSOGOZGTDP-GOSISDBHSA-N 410.257 3.012 0 40 HGAB C[C@@H](OC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1Cl)c1nc(C(C)(C)C)no1 40086337 KJNWXCGVTSKDCZ-SSDOTTSWSA-N 422.290 3.239 0 40 HGAB COc1ccccc1C(=O)N1CCC(C(=O)Nc2ccc(Br)cn2)CC1 40148907 XYVACOMEWSSYFY-UHFFFAOYSA-N 418.291 3.344 0 40 HGAB O=C(/C=C/c1c(Cl)cccc1Cl)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 40160468 YPFOEOBUVVHETM-JLVOYYQZSA-N 418.342 3.201 0 40 HGAB CC[C@H](CNC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccccc1 43175467 HOKKISZIVXTZQR-QGZVFWFLSA-N 417.531 3.023 0 40 HGAB CCOc1cccc(CNC(=O)c2ccc(C)c(S(=O)(=O)N3CCCC3)c2)c1 44880402 ICQZWDSKFFHPFO-UHFFFAOYSA-N 402.516 3.108 0 40 HGAB COc1ccc2nc(NC(=O)CC[C@@H]3NC(=O)c4ccccc4N=C3O)sc2c1 44922012 JHJGUXJLFAMSQI-HNNXBMFYSA-N 410.455 3.424 0 40 HGAB COc1ccc(N2C[C@H](C(=O)Nc3ccc4c(c3)OC(C)(C)O4)CC2=O)cc1OC 47224991 MFJVCQSUZBWGST-CYBMUJFWSA-N 412.442 3.203 0 40 HGAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 48302992 JDJOAONXVNYGPH-ZDUSSCGKSA-N 422.478 3.076 0 40 HGAB COCCN(Cc1ccco1)C(=O)[C@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 48333740 WRDCXPNZOGUQAG-INIZCTEOSA-N 424.419 3.322 0 40 HGAB COc1cccc(CNC(=O)[C@@H](CCSC)NC(=O)c2ccc3ccccc3n2)c1 48375192 NMNPTHRYDPPSIF-OAQYLSRUSA-N 423.538 3.411 0 40 HGAB COc1cccc(N2C[C@@H](C(=O)Nc3nnc(COc4ccccc4)s3)CC2=O)c1 49550963 PTWWLIGLLRGWCH-AWEZNQCLSA-N 424.482 3.117 0 40 HGAB COC(=O)C1=C(CN2CC=C(c3ccccc3)CC2)NC(=O)N[C@H]1c1cccc(F)c1 57415556 VEFNIYUYBAELES-QFIPXVFZSA-N 421.472 3.396 0 40 HGAB O=C(Cn1nc(-c2ccccc2Br)ccc1=O)c1ccc2c(c1)OCO2 57486312 JEXCPJDFXIRVHF-UHFFFAOYSA-N 413.227 3.284 0 40 HGAB Cc1ccc(NC(=O)CSc2nc(=O)c3[nH]c(C)cc3[nH]2)c(Br)c1 57521134 FRXWQZIEWCNJKV-UHFFFAOYSA-N 407.293 3.361 0 40 HGAB COC(=O)c1cc(OCC(=O)Nc2cc(OC)cc(OC)c2)c2cc(C)ccc2n1 65033121 GRXMUJSJMSCKHT-UHFFFAOYSA-N 410.426 3.365 0 40 HGAB C/C=C/c1ccc(OCC(=O)NC[C@@H](CO)Cc2cc(F)ccc2F)c(OC)c1 72303119 KGKAEEIHYCCENI-CWDCEQMOSA-N 405.441 3.353 0 40 HGAB Cn1cc([C@H](C(=O)Nc2cccc(OCc3ccc(F)cc3)c2)N2CCOCC2)cn1 72312747 FDFISJDZWVZKFF-JOCHJYFZSA-N 424.476 3.150 0 40 HGAB CCc1nccn1-c1cncc(C2CCN(C(=O)COc3ccc(F)cc3)CC2)n1 72355417 VHMGGLDYMUADRH-UHFFFAOYSA-N 409.465 3.149 0 40 HGAB COc1ncc([C@]2(O)CC[C@H]3CN(Cc4cccc5ccccc45)C[C@H]32)c(OC)n1 72392585 IUJCSXULSKYXOY-SNYIIPAISA-N 405.498 3.377 0 40 HGAB O=C(COc1coc(CN2CCCCCC2)cc1=O)NCc1cccc(Cl)c1 79490040 JCRLAZNDEJJPNX-UHFFFAOYSA-N 404.894 3.364 0 40 HGAB COC(=O)c1ccc(S(=O)(=O)NCc2cc(C3CC3)n(C3CCCC3)n2)cc1 96104111 XTIKOBZRVYGYJP-UHFFFAOYSA-N 403.504 3.141 0 40 HGAB Cc1ccc(NC(=O)c2nnn3c2NC(C(=O)O)=C[C@@H]3c2ccc(Cl)cc2)cc1 101353385 MEEJLTUHELLUDW-MRXNPFEDSA-N 409.833 3.476 0 40 HGAB COc1ccc(Cl)cc1N([C@@H](C)C(=O)Nc1ccc(F)c(F)c1)S(C)(=O)=O 113940191 MDBVKVSFGLBTLW-JTQLQIEISA-N 418.849 3.420 0 40 HGAB CC[C@@H](NC(=O)[C@@H](C)N(c1ccccc1F)S(C)(=O)=O)c1ccc(OC)cc1 113957549 BHODDQWWPLRKNK-RDTXWAMCSA-N 408.495 3.256 0 40 HGAB CC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2)cc1 138675779 MZDRKFVVOMDASI-OAHLLOKOSA-N 414.845 3.077 0 40 HGAB CCCSc1nnc(NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)s1 222558100 SWEJOFMYWLNNTG-UHFFFAOYSA-N 424.573 3.140 0 40 HGAB CCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(OC)c(OC)c1 222882386 UHUDWZUIZWLPRN-INIZCTEOSA-N 416.493 3.329 0 40 HGAB COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N3CCCC3)c(Cl)c2)cc1 224248263 KDAISKLFARVBHC-UHFFFAOYSA-N 408.907 3.410 0 40 HGAB CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCSC1CCCC1 224993436 ZPZCCWCFFRQOGF-GOSISDBHSA-N 414.593 3.032 0 40 HGAB COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)N(c1cc(C)ccc1C)S(C)(=O)=O 225107847 RVPQQQORKJLALV-IAGOWNOFSA-N 404.532 3.344 0 40 HGAB C[C@H](Cc1ccc2c(c1)CCO2)NS(=O)(=O)c1ccccc1OC(F)(F)F 225603110 HBJOLWROGNQNIO-GFCCVEGCSA-N 401.406 3.430 0 40 HGAB O=C(Cn1cnc2ccccc21)NC1CCN(c2cc(-c3cccs3)[nH]n2)CC1 225755116 BJBAUAWVGCYPPC-UHFFFAOYSA-N 406.515 3.273 0 40 HGAB O=C(Nc1ccc(OC(F)(F)F)cc1)C1(NS(=O)(=O)c2cccs2)CC1 225930336 IEOZCGXJBKUSDL-UHFFFAOYSA-N 406.407 3.096 0 40 HGAB O=C(CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)Nc1cccc(CN2CCCCCC2)c1 247801033 VNVMJWLGCIENLM-BZRIBIQUSA-N 423.557 3.422 0 40 HGAB Cc1ocnc1C(=O)N1CC[C@H](Oc2ccccc2)[C@@H](CC(=O)N2CCCCC2)C1 257209112 BPASDANAUOTOGF-ICSRJNTNSA-N 411.502 3.295 0 40 HGAB Cc1ccc(=O)n(CC(=O)N2CCCC[C@@H]2c2ncc(Cc3ccc(F)cc3)o2)n1 257235282 GXDTXVAOESWMAR-LJQANCHMSA-N 410.449 3.023 0 40 HGAB O=C(CC1CCCC1)NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H](N2CCOCC2)CC1 257297164 RGDVKRGDRHSROD-VDKIKQQVSA-N 414.590 3.257 0 40 HGAB COc1cccc(-n2nccc2-c2nc(C(=O)N[C@@H](C)C(C)C)c3cnccn23)c1 306135261 OMALHAAAEBVYPW-HNNXBMFYSA-N 404.474 3.365 0 40 HGAB CC1=CC[C@H]2C(=O)N(c3cccc(C(=O)Nc4cccc(C(=O)O)c4)c3)C(=O)[C@@H]2C1 408683411 MURAMHVSNUFCMY-RTBURBONSA-N 404.422 3.483 0 40 HGAB CC(C)N1CCN(c2cccc(NC(=O)[C@@H]3CCCN(Cc4cccnc4)C3)c2)CC1 535061936 VLWBZIZFVCACHM-JOCHJYFZSA-N 421.589 3.463 0 40 HGAB O=C(Cn1cc(-c2ccccc2)nn1)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 557119133 WWAPXIBRIOLYBJ-DEOSSOPVSA-N 401.514 3.070 0 40 HGAB CCOC1(c2nc([C@H]3CCCO3)no2)CCN(C(=O)c2cc(CC(C)C)[nH]n2)CC1 583615904 MSRBSIBOVNINJB-QGZVFWFLSA-N 417.510 3.011 0 40 HGAB COC(=O)[C@H](C)[C@@H](NC(=O)[C@@H](CCSC)NC(=O)OC(C)(C)C)c1ccccc1 1629587836 RLUVXDJCVNHQRN-DJIMGWMZSA-N 424.563 3.299 0 40 HGAB C[C@H]1CN(C(=O)CN2CCC(c3ccc4cc(Cl)cnc4n3)CC2)C[C@@H](C)O1 2086894001 FPQRFLOENSBTHT-GASCZTMLSA-N 402.926 3.098 0 40 HGAB COC(=O)C1=C(C)NC(C)=C(C(=O)OC[C@H]2CCCO2)[C@H]1c1cccc(Cl)c1 629075 LQEWPGRSSVICNO-APWZRJJASA-N 405.878 3.470 0 40 HGAB Nc1nonc1-c1nc2ccccc2n1CC(=O)Nc1ccccc1Br 679617 ZTQAKPNFIUTODI-UHFFFAOYSA-N 413.235 3.070 0 40 HGAB Cc1c(Cl)cccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 1289452 JDZZNJIDNDITNC-CYBMUJFWSA-N 404.825 3.322 0 40 HGAB C[C@@H]1Cc2cc(-c3csc(NC(=O)c4ccco4)n3)ccc2N1S(C)(=O)=O 1366004 YAMCRDFRXFRVPU-LLVKDONJSA-N 403.485 3.366 0 40 HGAB COCCCn1c(N)c(C(=O)NCc2ccc(F)cc2)c2nc3ccccc3nc21 2227400 GKYQIJQDNFHMKK-UHFFFAOYSA-N 407.449 3.272 0 40 HGAB CC[C@H](C)NC(=O)c1c(N)n(-c2ccc3c(c2)OCCO3)c2nc3ccccc3nc12 2399196 XNPQLGIXTDGWDK-ZDUSSCGKSA-N 417.469 3.455 0 40 HGAB COc1ccc(Nc2nnc(SCC(=O)Nc3ccc(C(N)=O)cc3)s2)cc1 2655557 ZGYHOOLEIHHKHY-UHFFFAOYSA-N 415.500 3.120 0 40 HGAB Cc1ccc(-n2nc3c(c2NC(=O)c2c(F)cccc2F)CS(=O)(=O)C3)c(C)c1 3009679 HRGVHANLZJDFNQ-UHFFFAOYSA-N 417.437 3.448 0 40 HGAB COc1ccc(NC(=O)COC(=O)/C=C/c2ccc(Br)o2)cc1OC 3254592 REEMOZCRFBABQP-VMPITWQZSA-N 410.220 3.254 0 40 HGAB CCC(C)(C)n1nnnc1[C@H](c1cc2cc(OC)ccc2[nH]c1=O)N1CCC[C@H](C)C1 4161863 GEZQCTLFWVYDGB-YWZLYKJASA-N 424.549 3.490 0 40 HGAB CCOc1ccccc1NC(=O)CSc1ccc2nnc(-c3ccccn3)n2n1 4327049 DTNQTDURUQHGMN-UHFFFAOYSA-N 406.471 3.316 0 40 HGAB CCOc1ccc(N2C[C@@H](NC(=O)NCCc3c[nH]c4ccccc34)CC2=O)cc1 4373721 KGRWVWHXUHDPTG-KRWDZBQOSA-N 406.486 3.214 0 40 HGAB COc1ccc(-c2cc(C(F)(F)F)nc(S[C@H]3CC(=O)[C@H]4OC[C@@H]3O4)n2)cc1 4573555 FVQZTNDUBJENLU-DZKIICNBSA-N 412.389 3.346 0 40 HGAB COc1cccc(NC(=O)CSc2nccn(-c3ccc(F)c(F)c3)c2=O)c1 4853315 MDLSPPWERXVLJY-UHFFFAOYSA-N 403.410 3.250 0 40 HGAB CCOc1ccc(NC(=O)NC2CCN(CC(=O)N[C@@H]3CCCC[C@@H]3C)CC2)cc1 4909353 XAKRQMQQJBGDEX-LAUBAEHRSA-N 416.566 3.366 0 40 HGAB CCOC(=O)[C@@H]1C(=O)[C@@H](C(=O)OCC)[C@@H]2c3ccccc3-c3ccccc3[C@H]1N2C 5031621 ZQGFVKUARQIOBY-XSDIEEQYSA-N 407.466 3.323 0 40 HGAB COc1ccc(CNC(=O)CSc2nncn2-c2cccc(Cl)c2)cc1OC 5890680 SMUNDEXCCPTQJC-UHFFFAOYSA-N 418.906 3.346 0 40 HGAB C[C@H](OC(=O)CCCc1c[nH]c2ccccc12)C(=O)NCc1ccc2c(c1)OCO2 6376095 MXPUHTLBDFFFFQ-HNNXBMFYSA-N 408.454 3.467 0 40 HGAB Cc1ccc(CN(C(=O)c2ccc(Br)cc2)[C@H]2CCS(=O)(=O)C2)o1 6810285 BRKYYSOMOWNDLG-HNNXBMFYSA-N 412.305 3.180 0 40 HGAB Cc1ccccc1Nc1nc(N)nc(CSCC(=O)NCc2cccs2)n1 6820823 WHEWLBSDVJLIRJ-UHFFFAOYSA-N 400.533 3.117 0 40 HGAB COC(=O)Cn1cc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)c2ccccc21 6967294 IBZUYEFMHWMIKF-YBFXNURJSA-N 403.438 3.216 0 40 HGAB O=C(Cn1cnc2ccc(Br)cc2c1=O)N1CC[C@H]2CCCC[C@H]2C1 7328224 RXSABHVEDHPQST-KGLIPLIRSA-N 404.308 3.198 0 40 HGAB COc1cc(CNCCCSc2nnnn2C)ccc1OCc1cccs1 7540489 CHOHZCFXZVVVFV-UHFFFAOYSA-N 405.549 3.131 0 40 HGAB Cc1ccc(-c2noc(CN(C)C(=O)CCCN3C(=O)c4ccccc4C3=O)n2)cc1 7759970 QDTHLXSOSMPGFJ-UHFFFAOYSA-N 418.453 3.080 0 40 HGAB C[C@H](NCc1cc(=O)n2cc(Br)ccc2n1)c1ccc2c(c1)OCCO2 8403790 KLDIRPHJZRUCIT-LBPRGKRZSA-N 416.275 3.079 0 40 HGAB CC/C(Nc1ccc(NC(C)=O)cc1)=C1/C(=O)NC(=O)N(c2ccc(C)cc2)C1=O 9090063 YADTYUBJGOUHBL-VHEBQXMUSA-N 406.442 3.312 0 40 HGAB COc1ccccc1N1C[C@@H](C(=O)OCc2cc(=O)oc3cc(C)ccc23)CC1=O 9442943 BDKPQVLIUCXEQM-HNNXBMFYSA-N 407.422 3.206 0 40 HGAB CCOC(=O)c1c(C)[nH]c(C)c1C(=O)Cn1nnc(-c2cccc(C(F)(F)F)c2)n1 9561820 FAPNNYMGEXKSCI-UHFFFAOYSA-N 421.379 3.363 0 40 HGAB CCN(CCCNC(=O)Cn1c(S)nnc1-c1cccs1)c1ccccc1 9920230 HMZMEFBKBXFHAE-UHFFFAOYSA-N 401.561 3.328 0 40 HGAB CCCCc1ccc(N2C(=O)C[C@@H](N(C)CC(=O)Nc3cccc(OC)c3)C2=O)cc1 10168192 KIWXAWPZQKMHHU-OAQYLSRUSA-N 423.513 3.240 0 40 HGAB CCCc1cc(=O)oc2cc(OCC(=O)NCCc3ccc4c(c3)OCCO4)ccc12 10208175 OCLFCEFMULVVMN-UHFFFAOYSA-N 423.465 3.254 0 40 HGAB O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)Cc2ccc(Cl)cc2)CC1 10216288 KOGMBHPGYDBACT-UHFFFAOYSA-N 400.862 3.489 0 40 HGAB COc1cc(C(=O)Nc2ccc3c(c2)OCC(C)(C)C(=O)N3C)cc(OC)c1OC 10971770 FPKSGPYVKDUFJU-UHFFFAOYSA-N 414.458 3.346 0 40 HGAB CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2cccc(C)c2C(=O)OC)c1 11058189 MPVJFYCUMRSEJV-UHFFFAOYSA-N 404.488 3.064 0 40 HGAB Cc1nc2c(SCC(=O)NC[C@@H]3CCCO3)nnc(-c3ccccc3)c2s1 12232801 HOFQSDQAZRPZFR-AWEZNQCLSA-N 400.529 3.449 0 40 HGAB Cc1c(C(=O)NC[C@H]2CCCO2)nnn1-c1ccc2noc(-c3ccccc3)c2c1 12273987 OHFZMWFKWIICFA-QGZVFWFLSA-N 403.442 3.293 0 40 HGAB COc1ccc2c(c1)OC1(CCN(C[C@H](O)c3ccc4c(c3)CCO4)CC1)C[C@@H]2O 12329307 YUPQQSBWLXTTIU-SFTDATJTSA-N 411.498 3.014 0 40 HGAB CCOC(=O)c1ccc(NC(=O)CN(c2cccc(C)c2C)S(C)(=O)=O)c(C)c1 13676299 YOAABOPXCZJHNR-UHFFFAOYSA-N 418.515 3.193 0 40 HGAB CCN(c1ccc(C(=O)Nc2cc(C(=O)OC)ccc2Cl)cc1)S(C)(=O)=O 13680538 HVYAAHCNWOHXQT-UHFFFAOYSA-N 410.879 3.165 0 40 HGAB Cc1c(NC(=O)c2ccc(CNC(=O)OC(C)(C)C)cc2)cccc1-n1cnnn1 14182749 GCMHENVELICZBN-UHFFFAOYSA-N 408.462 3.248 0 40 HGAB CCCCn1c(N)c(N(Cc2ccccc2)C(=O)c2sccc2C)c(=O)[nH]c1=O 14625300 JDCXMFJVLPUUGX-UHFFFAOYSA-N 412.515 3.136 0 40 HGAB Cc1nc(-c2ccc(N(C)C)cc2)cc([C@H]2CN3CC[C@H]2C[C@@H]3CNC(=O)C2CC2)n1 15672642 BJIHXNPJOFAKCH-NNWRFLSQSA-N 419.573 3.222 0 40 HGAB biogenic,in-vitro Cc1cc2n(n1)[C@@H](C(F)F)C[C@@H]([C@@H]1CCCN(C(=O)CN3CCC[C@H](C)C3)C1)N2 19127866 ZYUZIBUCVIUSIC-XOYOTBSWSA-N 409.525 3.152 0 40 HGAB O=C(c1cc(C2CCN(Cc3cccc(Cl)c3)CC2)no1)N1CCC[C@@H](O)C1 19293390 SGVHUAQHXUUUOJ-GOSISDBHSA-N 403.910 3.305 0 40 HGAB COc1ccc(CN2CCc3c(nc(C(C)C)nc3N3CCOCC3)C2)c(OC)c1 19453705 XDSZCTUGSJXCCE-UHFFFAOYSA-N 412.534 3.012 0 40 HGAB CN(Cc1cc(N(C)C)nc([C@H]2CCCCN2)n1)C(=O)CCc1ccc(N(C)C)cc1 19709856 SOYSBDLZXZWUDZ-OAQYLSRUSA-N 424.593 3.014 0 40 HGAB CN1C(=O)CCCC[C@@H]2[C@@H]1CCN2C(=O)C1CCN(Cc2ccc(F)cc2)CC1 19713934 POGORERETASMNT-LEWJYISDSA-N 401.526 3.040 0 40 HGAB COc1ccc2c(c1)c(C[C@@H](C)NC(=O)c1ccc(N3CCOCC3)cc1)cn2C 19717123 YDNFIIFDRSECKW-QGZVFWFLSA-N 407.514 3.385 0 40 HGAB COC(=O)c1cccc(NC(=O)CN(c2ccccc2C(C)C)S(C)(=O)=O)c1C 22392054 HPZLDMDPXAZISU-UHFFFAOYSA-N 418.515 3.310 0 40 HGAB O=c1[nH]c(CN2CCN(Cc3cccc(C(F)(F)F)c3)CC2)nc2ccccc12 22802223 MEXXOYWDRQZOAU-UHFFFAOYSA-N 402.420 3.260 0 40 HGAB O=C(NC1CCCC1)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1 23119492 ZPYDJPKFIPZOHS-OAHLLOKOSA-N 409.461 3.490 0 40 HGAB CCOc1ccc(C(=O)N[C@H](C(=O)NC[C@H](c2cccs2)N(C)C)C(C)C)cc1 23238397 AIOGJFNBFFFSMM-QUCCMNQESA-N 417.575 3.320 0 40 HGAB CCOc1cc2c(cc1NC(=O)[C@@H]1CC(=O)N(c3ccc4c(c3)OCO4)C1)O[C@@H](C)C2 24772873 VBBKYVIYNAUEMH-DZGCQCFKSA-N 424.453 3.129 0 40 HGAB CCCNC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CC1 25044381 MDBPBBUTGGDTJG-UHFFFAOYSA-N 412.861 3.286 0 40 HGAB c1ccc(-c2nnc3n2[C@@H](CSc2nnnn2Cc2cccs2)CS3)cc1 32777236 GXSFQPWEYOWBHQ-ZDUSSCGKSA-N 413.557 3.481 0 40 HGAB CC1=C[C@@H](CN2CCC[C@H]2CO)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2cncn2C)o1 35442741 HITJHRXILGPDPL-MUGJNUQGSA-N 413.566 3.324 0 40 HGAB biogenic,in-vitro COc1ccc(-c2nn3c(c2C)N=C(O)C[C@@H]3C(=O)Nc2ccc(C(N)=O)cc2)cc1 35684891 PBWLXJDWDAFRCD-QGZVFWFLSA-N 419.441 3.138 0 40 HGAB Cc1ccc(N2C(=O)CN(CCC3=CCCCC3)[C@H]3CS(=O)(=O)C[C@H]32)cc1C 36080505 UYBUKEWRKUYDGK-LEWJYISDSA-N 402.560 3.008 0 40 HGAB Cc1cc2nc(COC(=O)c3ccc(C)c(NC(=O)c4ccco4)c3)cc(=O)n2o1 41089605 XUGGQDMANGXPQS-UHFFFAOYSA-N 407.382 3.107 0 40 HGAB O=C(NCC1CCN(C(=O)Nc2ccc(F)cc2)CC1)c1cnc2ccccc2n1 44005555 BHKLHFINZVMMEI-UHFFFAOYSA-N 407.449 3.443 0 40 HGAB COCCOc1ccc([C@H](C)NC(=O)c2cncc(Br)c2)cc1OC 48324591 CCPMTSJSZZATQC-LBPRGKRZSA-N 409.280 3.369 0 40 HGAB CN1CCCN(c2ccc(CNC(=O)Cc3cccc(C(F)(F)F)c3)cn2)CC1 58114348 RRWXOCNEGQQLEC-UHFFFAOYSA-N 406.452 3.101 0 40 HGAB O=C(O)c1cc(F)c(F)cc1NS(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2 58308499 UVDJBDYXGSSSNB-UHFFFAOYSA-N 404.350 3.183 0 40 HGAB O=C(CS(=O)(=O)Cc1cc(Cl)c2c(c1)OCCCO2)N1CCCCCCC1 58597698 MHCIMVVAYAKHET-UHFFFAOYSA-N 415.939 3.209 0 40 HGAB COc1cc(OC)cc(C(=O)Nc2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)c1 59328766 KUNZEVXJSLAYQI-HNNXBMFYSA-N 418.515 3.377 0 40 HGAB CCc1ccc(NC(=O)CN2C(=O)N[C@@H](c3cc(C)ccc3C)C3=C2COC3=O)cc1 67288587 HRPSIYXUQGXYFL-QFIPXVFZSA-N 419.481 3.382 0 40 HGAB Cc1nc(-c2ccc(Cl)cc2)n(CC(=O)Nc2ccccc2F)c(=O)c1CCO 67300564 OEHOLZANRGKDBH-UHFFFAOYSA-N 415.852 3.185 0 40 HGAB COc1ccccc1NC(=O)c1nnn(CC(=O)Nc2cccc(Cl)c2C)c1C 71327008 UGXQRRXBWRYKAA-UHFFFAOYSA-N 413.865 3.448 0 40 HGAB CC[C@H]1CN(Cc2ccccc2)CCN1C(=O)Cc1ccc(N2CCCC2=O)cc1 72303029 JIESTORFQQGAEV-QFIPXVFZSA-N 405.542 3.479 0 40 HGAB Cc1n[nH]c(C)c1CNC(=O)C1(Cc2cccc([C@@H]3CCCN(C)C3)c2)CCOCC1 72372235 HWCQXTCDMGXGKS-JOCHJYFZSA-N 424.589 3.491 0 40 HGAB C[C@@H](Oc1ccccc1F)C(=O)Nc1cc(N2CCN(c3ccccc3)CC2)ncn1 77100894 BTDNGKVSLQSUCE-QGZVFWFLSA-N 421.476 3.348 0 40 HGAB CN1CCc2nc(NC(=O)COc3ccc(C(=O)c4ccccc4)cc3)sc2C1 83881752 VMCYMNNQCUIAGN-UHFFFAOYSA-N 407.495 3.380 0 40 HGAB COCCNc1nc(NCc2ccc(OC)cc2)nc(NCc2ccc(OC)cc2)n1 83911695 JXYDEDSUWCOODU-UHFFFAOYSA-N 424.505 3.171 0 40 HGAB Cc1nc([C@@H]2CN(C(=O)c3cn(-c4ccccc4)nc3-c3ccccc3)CCO2)no1 95468220 OVKJVDGIANZBMK-FQEVSTJZSA-N 415.453 3.444 0 40 HGAB CC(C)Cn1c(CCCNC(=O)c2cc(F)ccc2-n2cnnn2)nc2ccccc21 96232288 JIMWUSDMLHWDMB-UHFFFAOYSA-N 421.480 3.170 0 40 HGAB CC(=O)N1CCC(NC(=O)CNc2ccc(Br)c(C(F)(F)F)c2)CC1 96971131 CKBBMOWENYBXLY-UHFFFAOYSA-N 422.245 3.007 0 40 HGAB O=C(COC(=O)c1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1)c1ccccc1 100743226 XSMIQSJYQZSIAO-IDPBPBMLSA-N 401.418 3.038 0 40 HGAB COC(=O)C1=C(C)Nc2nc(SCc3ccccc3)[nH]c(=O)c2[C@@H]1c1ccncc1 100821752 YONUZQQWDGFRMF-QGZVFWFLSA-N 420.494 3.462 0 40 HGAB CC(=O)N(CN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O)c1cccc(C(F)(F)F)c1 101418413 AMEPTHAOWIUPIS-WJQMWINMSA-N 404.388 3.069 0 40 HGAB CCOC(=O)[C@@]1(CN)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(C)cc1 218587679 OMBKGVQRHQKMII-CMKODMSKSA-N 407.919 3.096 0 40 HGAB COC(=O)c1ccc(C)c(S(=O)(=O)Nc2nnc(-c3ccc(C)cc3)s2)c1 223084902 FDCQTKBNBQOMGX-UHFFFAOYSA-N 403.485 3.409 0 40 HGAB OCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1nc2ccccc2s1 223566882 ZAJLAHDIDYDFRP-RTBURBONSA-N 421.551 3.447 0 40 HGAB COc1ccc(Br)cc1S(=O)(=O)NCCOc1cc(C)ccc1C 224049127 UTUAUANTZDZZIP-UHFFFAOYSA-N 414.321 3.432 0 40 HGAB CC[C@@H](C(=O)NCCOc1ccccc1Cl)N(c1ccc(C)cc1)S(C)(=O)=O 224303472 JSZGVHZSVNOWLS-SFHVURJKSA-N 424.950 3.388 0 40 HGAB O=C(NCCCN1CCc2ccccc21)c1cccc(I)c1 224964516 AGKIDPBVMBQPMN-UHFFFAOYSA-N 406.267 3.474 0 40 HGAB COc1ccc(S(=O)(=O)NC[C@@](O)(c2ccco2)c2cccs2)cc1Cl 225590007 JCWZEIHVBDDPFE-QGZVFWFLSA-N 413.904 3.218 0 40 HGAB COc1ccccc1N1CCN(S(=O)(=O)c2ccc3c4c(cccc24)CC3)CC1 226861777 RLIZIHORNXCHDN-UHFFFAOYSA-N 408.523 3.458 0 40 HGAB Cc1cc(OC2CN(C(=O)Cc3cccc(C(F)(F)F)c3)C2)cc(=O)n1C1CC1 245187654 ZSJUJYZDKFJFJF-UHFFFAOYSA-N 406.404 3.343 0 40 HGAB O=C(c1c[nH]nc1[C@@H]1CCCCN1S(=O)(=O)c1ccccc1)N1CCCCCC1 257207928 BJXXXQRUMKLYNB-IBGZPJMESA-N 416.547 3.342 0 40 HGAB Nc1ncc(-c2cccc([C@@H]3CN(C(=O)CCc4cccc(Cl)c4)CCO3)n2)cn1 257297562 RHVFJDUAIMUUKY-FQEVSTJZSA-N 423.904 3.307 0 40 HGAB COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NC(C)C)cc2)cc1Cl 408552642 MHJDQDIYJGYEEG-UHFFFAOYSA-N 412.895 3.053 0 40 HGAB CC(C)CNS(=O)(=O)c1ccc(OCC(=O)N[C@@H](C)CCc2ccccc2)cc1 408584582 RQRKMQYFPDFVKE-SFHVURJKSA-N 418.559 3.137 0 40 HGAB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(-c2ccc(C(=O)OC)cc2)o1 408603743 GZRLMGWLUKZQEZ-QGZVFWFLSA-N 400.456 3.089 0 40 HGAB CC(=O)Oc1ccc(C(=O)COC(=O)c2cccc(I)c2)cc1 409174343 SNGHFXPXDYQSKB-UHFFFAOYSA-N 424.190 3.256 0 40 HGAB Cc1cc(S(=O)(=O)Nc2ccc3oc(C4CC4)nc3c2)ccc1OCC(=O)O 500371688 FZRPVOFXPGSRQR-UHFFFAOYSA-N 402.428 3.278 0 40 HGAB O=C(CCc1cccc(Oc2ccc(F)cc2)c1)N1CC(N2C(=O)CSC2=O)C1 575610665 MNYZQLHGOJPAHH-UHFFFAOYSA-N 414.458 3.457 0 40 HGAB OC[C@H]1[C@H](O)C[C@@H](NC2CCC(F)(F)CC2)[C@@H]1Cc1ccnc(-c2ccccc2)n1 604382701 ZCHFHGPAOBLHPZ-XRXFAXGQSA-N 417.500 3.212 0 40 HGAB biogenic,in-vitro COCCC1(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2(CCOC)CCCC2)CCCC1 683370122 UCJURQPVXRCIKD-RTBURBONSA-N 408.583 3.334 0 40 HGAB CC(C)(C)c1ccc(=O)n(C2CCN(C(=O)c3ccc(C(F)(F)F)nc3)CC2)n1 1775995141 DPFSSSOCHMMJDO-UHFFFAOYSA-N 408.424 3.432 0 40 HGAB O=S(=O)(c1ccc(F)cc1F)N1CCC[C@@](O)(COc2ccc(F)cc2)CC1 2037912644 SJSNUKTYJKBPPU-IBGZPJMESA-N 415.433 3.089 0 40 HGAB O=C(c1ccc2nccnc2c1)N1CC[C@@H]2CN(c3cc(C(F)(F)F)ccn3)C[C@@H]21 2087158703 LZYYNHPHLWQCJL-KDOFPFPSSA-N 413.403 3.395 0 40 HGAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C)cc3)c(=O)n2[C@@H]1c1cccs1 631422 PIQOTOUIFJISFJ-LYPXWFNGSA-N 424.547 3.168 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3c(F)cccc3F)CC2)cc1C 814620 XELLMVXGUOTCQE-UHFFFAOYSA-N 424.469 3.321 0 40 HGAB Cc1cc(C)c(OCC(=O)N2N=C(c3ccncc3)C[C@@]2(O)C(F)(F)F)c(C)c1 890968 DPEGGXJNMKCHTP-LJQANCHMSA-N 407.392 3.273 0 40 HGAB CCOC(=O)[C@H](C)Oc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1 958551 ICZBSLUSQCXGDK-LBPRGKRZSA-N 416.499 3.309 0 40 HGAB O=C(N[C@@]1(C(F)(F)F)NC(=O)N(c2ccc(F)c(Cl)c2)C1=O)c1ccccc1 2387453 OCOKTGIGXXFNFX-MRXNPFEDSA-N 415.730 3.224 0 40 HGAB Cc1cnc(NC(=O)c2ccc(S(=O)(=O)N3CCc4ccccc4C3)cc2)s1 3560816 MWTQLMMXMKSUHV-UHFFFAOYSA-N 413.524 3.451 0 40 HGAB CSc1nnc(C)c(=O)n1COC(=O)c1c(-c2ccccc2Cl)noc1C 4495823 FVSRMZJBIJGXPS-UHFFFAOYSA-N 406.851 3.100 0 40 HGAB COc1ccccc1CNC(=O)CSc1ccc(-c2ccc3c(c2)OCO3)nn1 5108116 XJAGZMHDLHNAQL-UHFFFAOYSA-N 409.467 3.289 0 40 HGAB CC(=O)Nc1cccc(NC(=O)c2ccc(C)c(N3CCCCS3(=O)=O)c2)c1 5135921 FPIFPYUQECABLR-UHFFFAOYSA-N 401.488 3.136 0 40 HGAB CCn1c(=O)c2c(nc3n(-c4cc(C)ccc4C)c(-c4ccccc4)cn23)n(C)c1=O 5251827 JWOGADYSRFEGST-UHFFFAOYSA-N 413.481 3.442 0 40 HGAB Cc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3n2C(C)(C)CO[C@@H]3c2ccco2)cc1 5351344 BNMILIDRHOKFMO-OAQYLSRUSA-N 419.481 3.462 0 40 HGAB COc1ccc(-c2nnc(SCC(=O)Nc3ccccc3OC)o2)c(OC)c1 5392001 NBLRTDSGULWUFS-UHFFFAOYSA-N 401.444 3.493 0 40 HGAB C[C@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)NCc2ccncc2)c1 6167903 LCXLOXWMYGQGGG-INIZCTEOSA-N 407.495 3.152 0 40 HGAB COCCCn1c(=O)c2sccc2n(Cc2ccc(Br)cc2)c1=O 6679288 YJYZELASRUQTDV-UHFFFAOYSA-N 409.305 3.072 0 40 HGAB CCOC(=O)[C@@H]1CCCN(C(=O)CCCN2C(=O)c3cccc4cccc(c34)C2=O)C1 7971466 ZJSLEEJPFMEORE-QGZVFWFLSA-N 422.481 3.018 0 40 HGAB CCOC(=O)c1sc(NC(=O)c2cccc(I)c2)nc1C 8816057 DCUFANCGARCNOP-UHFFFAOYSA-N 416.240 3.485 0 40 HGAB COc1ccc(NC(=O)CN2C(=O)N[C@](C)(c3ccccc3Cl)C2=O)cc1Cl 9452043 VAVPJOSVFCXTRT-LJQANCHMSA-N 422.268 3.408 0 40 HGAB COC(=O)[C@@H](C)Sc1nnc2c3cnn(-c4ccc(Cl)c(Cl)c4)c3ncn12 9488631 AHRXSMPCEMECGE-MRVPVSSYSA-N 423.285 3.424 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC(=O)NCCc2ccc(F)cc2)cc1 9516022 LAIHAMBDAFDXSH-MRXNPFEDSA-N 421.538 3.459 0 40 HGAB COC(=O)c1cc(NC(=O)c2ccc(Br)cc2)ccc1N1CCOCC1 9907750 WWUUCORRFQAVBP-UHFFFAOYSA-N 419.275 3.325 0 40 HGAB CN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)OCc1ccccc1C(F)(F)F 9963231 PWAFDVGPQWNABG-FQEVSTJZSA-N 418.371 3.358 0 40 HGAB COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N[C@H](C)c2ccccn2)c1 10556754 IZWBDILXFHCFCT-OAHLLOKOSA-N 411.483 3.382 0 40 HGAB C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1CCC(CCc2ccccc2)CC1 11155241 INTBAQLLQMYIKL-QGZVFWFLSA-N 415.559 3.006 0 40 HGAB COc1ccc(CC(=O)N[C@@H]2C[C@@]3(CCC(=O)N(C)CC3)Oc3ccccc32)cc1 12086413 ZRHXGLWBQUVRFW-YKSBVNFPSA-N 408.498 3.259 0 40 HGAB COc1ccc(C(C)C)cc1S(=O)(=O)NC[C@H](c1ccc2c(c1)OCO2)N(C)C 12220479 AMDVNNHQBNXYKM-QGZVFWFLSA-N 420.531 3.129 0 40 HGAB Cc1nc(-c2cccc(N[C@@H](C)C(=O)Nc3ccc(S(N)(=O)=O)cc3)c2)cs1 12596642 YRKFXYSFJPFSOD-LBPRGKRZSA-N 416.528 3.205 0 40 HGAB CCCc1noc(CCC(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)n1 12745227 IDPCDFOUGSIPCF-UHFFFAOYSA-N 401.492 3.040 0 40 HGAB COC(=O)c1ccc(C(=O)Nc2c(C(=O)N3CCOCC3)oc3ccccc23)s1 12860440 MXYOCXUPYOGHTF-UHFFFAOYSA-N 414.439 3.006 0 40 HGAB C[C@@H](NC(=O)Cc1csc(NC(=O)c2ccco2)n1)c1ccc2c(c1)OCCO2 12895953 CCCLSTDUTJVYHO-GFCCVEGCSA-N 413.455 3.180 0 40 HGAB C/C=C/c1ccc(OC[C@@H](O)Cn2c(=O)c3ccccc3n3nc(C)cc23)c(OC)c1 12909859 MKJOWUYNYJXSKL-UKTKYZJWSA-N 419.481 3.439 0 40 HGAB CCOC(=O)c1nn(-c2ccc(C)cc2)c(=O)cc1NC(=O)c1ccc(OCC)cc1 13010254 NOUHMNYEBCOVMC-UHFFFAOYSA-N 421.453 3.369 0 40 HGAB O=C(Nc1ccccc1NS(=O)(=O)c1ccc(F)cc1)[C@H]1CC=CC[C@H]1C(=O)O 13469673 NHWSVAGUASKVBH-JKSUJKDBSA-N 418.446 3.232 0 40 HGAB Clc1cc2c(cc1CN(CCCN1CCOCC1)Cc1cccnc1)OCO2 13569050 MNDAUMCWCKALDO-UHFFFAOYSA-N 403.910 3.188 0 40 HGAB C[C@H](OC(=O)C[C@@H](NC(N)=O)c1cccs1)C(=O)Nc1ccc(F)c(Cl)c1 14415305 IONVFELVVJBIGW-TVQRCGJNSA-N 413.858 3.211 0 40 HGAB COC(=O)c1ccc(OC(=O)c2cc(S(=O)(=O)NC(C)(C)C)ccc2C)cc1 14872386 JOZNJODRURHREY-UHFFFAOYSA-N 405.472 3.078 0 40 HGAB COc1ccc(OC)c(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)c1 15083040 ZNEDLDDRJCTQCM-UHFFFAOYSA-N 424.906 3.394 0 40 HGAB C[C@@H]1C(=O)N(CN2CCN(c3cccc(Cl)c3)CC2)C(=O)N1c1ccc(F)cc1 16046987 DXERIAVKNNNPHX-OAHLLOKOSA-N 416.884 3.416 0 40 HGAB CCOc1ccc(NC(=O)CCc2c(C)nn(-c3nc(C)c(C)c(=O)[nH]3)c2C)cc1 16981136 WIKFXNOCOJJSHQ-UHFFFAOYSA-N 409.490 3.159 0 40 HGAB Cc1nc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)COc2cccc(F)c2)cc(=O)[nH]1 19240976 ZBYGXEOOUJGKHC-HXUWFJFHSA-N 420.444 3.178 0 40 HGAB Cc1nc2c(c(N3CCC(O)(c4cccnc4)CC3)n1)CN(Cc1ccccc1)CC2 19286178 FUXVYZHNKXTDRV-UHFFFAOYSA-N 415.541 3.226 0 40 HGAB Cn1cc(-c2ccnc(N3CCCC3)n2)c([C@H]2CCCN2C(=O)Cc2cccs2)n1 19290226 KKMCOCLZEKTLEG-LJQANCHMSA-N 422.558 3.445 0 40 HGAB COc1ccc(-n2ncc(C(=O)[C@@H]3CCCN(C(=O)Cc4ccccc4)C3)c2N)cc1 19558654 ZSZHTIDWYZEUGH-GOSISDBHSA-N 418.497 3.127 0 40 HGAB Cc1cccc(OC2CCN(C(=O)Cn3c(C)nc4cc5c(cc43)OCCO5)CC2)c1 19666725 BJMRDRAAODMFSM-UHFFFAOYSA-N 421.497 3.494 0 40 HGAB O=C(CNC(=O)c1ccccc1)Nc1ccc2c(c1)CCCN2C(=O)c1cccnc1 19819113 NMJIPYUDQNOWBL-UHFFFAOYSA-N 414.465 3.043 0 40 HGAB CCOc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccc(F)cc3)C2)cc1 19862451 VGWKNOFBAZJCAB-QGZVFWFLSA-N 420.506 3.405 0 40 HGAB COc1ccc(SCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 20107345 FHHCZEAYSBBATG-UHFFFAOYSA-N 406.529 3.211 0 40 HGAB CCCN1C(=O)[C@H](C(=O)OCC)[C@H](c2ccc(OC)c(O)c2)n2c1nc1ccccc12 20675225 REICXPZINOYIBW-UXHICEINSA-N 423.469 3.276 0 40 HGAB CCOC(=O)c1oc2ccccc2c1COC(=O)c1cccc(S(C)(=O)=O)c1 22106400 GUXBGVOSHSALFQ-UHFFFAOYSA-N 402.424 3.370 0 40 HGAB CN(C)S(=O)(=O)c1cc(C(=O)NCCC2=CCCCC2)ccc1Br 22651708 BOBGAWQQZVCCTJ-UHFFFAOYSA-N 415.353 3.320 0 40 HGAB O=C([C@H](c1ccccc1)N1CCN(Cc2ccc3c(c2)CCO3)CC1)N1CCCC1 22926611 TXLIGEFQEOTVOI-DEOSSOPVSA-N 405.542 3.103 0 40 HGAB Cc1ccc(C)c(NC(=O)[C@H](OC(=O)CN(C)c2ncccn2)c2ccccc2)c1 23173371 QAYKFBINMLOXBC-OAQYLSRUSA-N 404.470 3.453 0 40 HGAB COc1ccc(Nc2nccc(C(F)(F)F)n2)cc1S(=O)(=O)N1CCCCC1 24054023 JVJAVYBQKVJICS-UHFFFAOYSA-N 416.425 3.422 0 40 HGAB CC(C)(C)OC(=O)NC1(CNC(=O)c2ccc3c(c2)OCC(=O)N3)CCCCCC1 24494639 KJVWABFHTGCLHF-UHFFFAOYSA-N 417.506 3.365 0 40 HGAB O=C(NCc1ccccc1)NC1(C(=O)N2CCN(Cc3ccccc3)CC2)CCCC1 26091345 BYQWNMZDFMQOBL-UHFFFAOYSA-N 420.557 3.143 0 40 HGAB CCCn1c(=O)n(CC(=O)NC2CCN(CCc3ccccc3)CC2)c2ccccc21 27931918 CWPATIFJJFHBCY-UHFFFAOYSA-N 420.557 3.036 0 40 HGAB COC(=O)c1cccc(NC(=O)C2CCN(Cc3nc(-c4ccccc4)no3)CC2)c1 30955507 ASDSXIHIRVVUNC-UHFFFAOYSA-N 420.469 3.374 0 40 HGAB CC(C)(NS(=O)(=O)c1ccc2c(c1)OCCO2)c1ccc(Br)cc1 32475273 ZNZGOUMUOMWDHF-UHFFFAOYSA-N 412.305 3.434 0 40 HGAB COc1ccc([C@H]2CCCN2C(=O)c2ccc(N3CCCS3(=O)=O)cc2)cc1 32808704 HDIYZIOWZJSSOY-HXUWFJFHSA-N 400.500 3.212 0 40 HGAB CC(=O)c1cccc(NC(=O)CSc2nc3ncccc3c(=O)n2CC(C)C)c1 32893274 IOOYWFYBUOWTSI-UHFFFAOYSA-N 410.499 3.381 0 40 HGAB COc1ccc(/C=C/C(=O)N[C@H](C)C(=O)Nc2nc3ccc(OC)cc3s2)cc1 36688487 CREOCENTTNVRIA-ASJRZHAZSA-N 411.483 3.470 0 40 HGAB CCc1ccc(NC(=O)[C@H]2CCN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cc1 38835411 WKAIXUSWRNMTOS-GOSISDBHSA-N 408.907 3.458 0 40 HGAB CCCn1cnc2nc(COc3ccccc3NC(=O)c3ccc(C)cc3)cc(=O)n21 41077127 MORRMMJHBAQRFK-UHFFFAOYSA-N 417.469 3.441 0 40 HGAB Cc1ccc(Cl)cc1N1CCN(C[C@@H](O)COCCOc2ccc(F)cc2)CC1 41690279 JQLWPUMENJNDCR-HXUWFJFHSA-N 422.928 3.366 0 40 HGAB Cc1ccc(C(=O)NC2CCN(C(=O)NCC(C)(C)N3C[C@H](C)C[C@@H](C)C3)CC2)o1 51711894 VOFCGFKUAHMWQY-IAGOWNOFSA-N 418.582 3.248 0 40 HGAB Cc1ccc(NC(=O)CSc2ncnc3nc(N4CCOCC4)sc23)cc1C 57507145 IHKUYJOQIXTRMP-UHFFFAOYSA-N 415.544 3.271 0 40 HGAB O=C(COC(=O)c1cccc(N2C(=O)CCC2=O)c1)Nc1cccc(C(F)(F)F)c1 58060925 FIWCVEJWHIJAFS-UHFFFAOYSA-N 420.343 3.154 0 40 HGAB COc1ccccc1N1CCN(CC(=O)Nc2ccc(Br)cc2F)CC1 58120490 CBRASLMXXVBWHB-UHFFFAOYSA-N 422.298 3.358 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)N(CCN(C)C)c2ccccc2)c1 58440725 NNKBCCFSIREAJI-UHFFFAOYSA-N 417.575 3.234 0 40 HGAB Cc1noc(CCNC(=O)[C@@H](CC(C)C)NC(=O)c2ccc(Cl)cc2Cl)n1 62580914 VPBWJNMQVISJMD-OAHLLOKOSA-N 413.305 3.188 0 40 HGAB CCOc1ccc(NC(=O)c2nnn(CC(=O)Nc3ccccc3OCC)c2C)cc1 71327292 RMQLKHUXNCUIEM-UHFFFAOYSA-N 423.473 3.275 0 40 HGAB CCOc1ccc(NC(=O)CN2N=C(c3nc(-c4ccccc4)no3)CCC2=O)cc1 71328280 HMMDZABZXXQJDH-UHFFFAOYSA-N 419.441 3.101 0 40 HGAB CCCOc1ccc(Cl)cc1NC(=O)NCCS(=O)(=O)Nc1ccccn1 72314312 KPEGKNALFMVNOQ-UHFFFAOYSA-N 412.899 3.087 0 40 HGAB CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1cc(Br)ccc1O 72314349 PKBCZDWMNIOZSI-QGZVFWFLSA-N 416.275 3.322 0 40 HGAB CC(=O)Nc1nc(C(=O)N2CCC(C(=O)c3nc4ccccc4s3)CC2)cs1 72335470 XMLVNQCAWROLLN-UHFFFAOYSA-N 414.512 3.446 0 40 HGAB NC(=O)c1cccc(-c2cccc([C@H]3CCCN(C(=O)Cc4cccnc4)C3)n2)c1 72349386 HXIDRWYKYFWTRZ-FQEVSTJZSA-N 400.482 3.191 0 40 HGAB Nc1ncc(-c2cccc(F)c2)c([C@@H]2CCCCN2CC(=O)Nc2ccccn2)n1 72377020 USYZIGVFVOCCBW-SFHVURJKSA-N 406.465 3.426 0 40 HGAB C[C@@H](Cc1ccccc1F)C(=O)Nc1ccc2[nH]c(CCN3CCOCC3)nc2c1 78825117 FEZZLICWDVZVQH-INIZCTEOSA-N 410.493 3.394 0 40 HGAB CCn1ncc2c(C(=O)N[C@H]3CCCCC[C@H]3C(N)=O)cc(-c3cccs3)nc21 79099463 BUSGVHSRYLQCIO-CJNGLKHVSA-N 411.531 3.344 0 40 HGAB CC(C)n1ncc2c(C(=O)Nc3ccc(Cc4nnn[nH]4)cc3)cc(C3CC3)nc21 89894004 SQCULIRZWLDVTL-UHFFFAOYSA-N 402.462 3.246 0 40 HGAB CCNC(=O)COc1ccc(/C=C2/N=C(c3ccccc3Cl)OC2=O)cc1OC 96635000 AZLPGNIHNSGYEY-MHWRWJLKSA-N 414.845 3.208 0 40 HGAB Cc1cc(C)cc(N2C(=O)C[C@H](c3c(C)nn(-c4nc5ccccc5[nH]4)c3O)C2=O)c1 100069139 COTKVYFBFDSOQI-MRXNPFEDSA-N 415.453 3.427 0 40 HGAB CC(C)c1ncc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)[C@H]3CCC(=O)N3)CC2)n1 100739111 WIIVIRPPBFDMKO-IMFGXOCKSA-N 421.545 3.331 0 40 HGAB COC(=O)Cn1/c(=N/C(=O)c2cccc(Cl)c2)sc2cc(NC(C)=O)ccc21 100876881 UCGCQCLUTHMBMI-QOCHGBHMSA-N 417.874 3.229 0 40 HGAB CC(C)c1ccc(NC(=O)[C@@H]2CC(=O)Nc3[nH]c(N4CCC[C@@H](C)C4)nc(=O)c32)cc1 139076175 YKORAJWGZXCCHQ-RHSMWYFYSA-N 423.517 3.194 0 40 HGAB O=C(NCc1nc(-c2cccs2)no1)[C@H]1CCCN(Cc2ccc(F)cc2)C1 222600536 IMDVUHVUWVASDA-HNNXBMFYSA-N 400.479 3.466 0 40 HGAB CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(C)cn1 223642745 QLKDVURGGOMAQZ-LEWJYISDSA-N 421.526 3.111 0 40 HGAB Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)N[C@H](C)c3ccccc3C)s2)c1 224452540 UJQZKWUUYXDOHO-CQSZACIVSA-N 416.528 3.447 0 40 HGAB CCOc1ccc(S(=O)(=O)N(CC(=O)OC)c2ccc(OC)c(Cl)c2)cc1 224595364 SVAFBNFNLZONPI-UHFFFAOYSA-N 413.879 3.116 0 40 HGAB COC(=O)c1cc(S(=O)(=O)N[C@H](C)COc2ccc(C)c(C)c2)ccc1Cl 224637845 NNNWANCIRFCHNX-CQSZACIVSA-N 411.907 3.489 0 40 HGAB COC(=O)C[C@H](NC(=O)[C@H]1CCCC[C@H]1C(=O)O)c1ccccc1Br 257173846 ZEALBCNCJJHGDT-ZOWXZIJZSA-N 412.280 3.061 0 40 HGAB COCC(=O)N1CCC(Cc2ccc(-c3cccnc3)cc2)(C(=O)NC(C)C)CC1 257311376 UJEGHHLJXFQBEK-UHFFFAOYSA-N 409.530 3.071 0 40 HGAB Cc1ccc([C@@H](CCC(=O)O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 408613594 YPHDGSYZYAWKJJ-OAQYLSRUSA-N 416.543 3.216 0 40 HGAB Cc1ccc(-c2c3c(nc4c2c(=O)n(C)c(=O)n4C)-c2ccccc2[C@@H]3O)cc1Cl 408981018 HGAAGPYOWRDXOH-FQEVSTJZSA-N 419.868 3.323 0 40 HGAB CCCN(CCC)C(=O)CN1C(=O)S/C(=C\c2cccc(OC)c2OC)C1=O 409215003 ZDPGFQKHFYEXIW-VBKFSLOCSA-N 406.504 3.389 0 40 HGAB Cc1cc(S(=O)(=O)NCc2ccccc2)ccc1OCC(=O)NCCC(C)C 409392708 TUPNGYBPZFIEFP-UHFFFAOYSA-N 404.532 3.015 0 40 HGAB C[C@@H](c1ccccc1)N1C[C@@]2(COCCN(c3ncnc4ccccc34)C2)CC1=O 585103871 GJDBJNHMNSSANE-MHECFPHRSA-N 402.498 3.446 0 40 HGAB COCC(=O)N1Cc2ccccc2N(C(C)=O)CC[C@H]2CCC[C@@H](C1)N2CC1CC1 643577524 QXTJHIBXFLIKHQ-YADHBBJMSA-N 413.562 3.051 0 40 HGAB Cc1cc(C(=O)N2CCC3(CC2)CC(=O)N(Cc2ccncc2)c2ccnn23)c(C)o1 1772596519 PBQAZJLZQTUXHK-UHFFFAOYSA-N 419.485 3.056 0 40 HGAB O=S(=O)(c1ccccc1OC(F)(F)F)N1CCCN(C2CCSCC2)CC1 1775968322 YTHMPXANNANDOX-UHFFFAOYSA-N 424.510 3.177 0 40 HGAB Cc1nn(C(C)C)c(C)c1S(=O)(=O)NC[C@H](O)c1ccc(-c2ccco2)s1 1775968373 DLWJIWIPISNQDI-AWEZNQCLSA-N 409.533 3.414 0 40 HGAB Cc1ccnc(N2CCN(c3ncc(C(F)(F)F)cc3Br)CC2)n1 1889109992 NWEZJABZBJTASH-UHFFFAOYSA-N 402.218 3.288 0 40 HGAB CC(C)Oc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccc(F)cc3)CC2=O)cc1 800673 BEGAHPXWANZQCM-OAHLLOKOSA-N 414.433 3.148 0 40 HGAB Nc1ccccc1NC(=O)C(F)(F)C(F)(F)C(F)(F)C(=O)Nc1ccccc1N 1582541 NYBUZFTZSAVERO-UHFFFAOYSA-N 420.313 3.334 0 40 HGAB COCCCn1c(N)c(C(=O)NCc2ccc(OC)cc2)c2nc3ccccc3nc21 2235279 OEDHDFYZSINXBN-UHFFFAOYSA-N 419.485 3.142 0 40 HGAB CCS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1nc2ccc(F)cc2s1 2627382 YWGNMZGBXNIBFU-MRXNPFEDSA-N 419.503 3.151 0 40 HGAB COc1ccc(C(=O)Nc2c3c(nn2-c2ccc(C)cc2)C[S@](=O)C3)c(OC)c1 2725125 JJCROWBNZRGLPS-LJAQVGFWSA-N 411.483 3.213 0 40 HGAB CCOC(=O)c1c(NC(=O)CSc2nnnn2C)sc(C)c1-c1ccccc1 3513079 YQNYXAXMHBORBH-UHFFFAOYSA-N 417.516 3.155 0 40 HGAB Cc1cc(C)nc(SCc2cc(=O)c(OC(=O)COc3ccc(F)cc3)co2)n1 4377334 PMHARUNNCLMKNU-UHFFFAOYSA-N 416.430 3.462 0 40 HGAB COc1ccc2c(c1)CCc1c(C(=O)NCCc3ccc(OC)c(OC)c3)noc1-2 4437687 LRMTXWLCOHYOLQ-UHFFFAOYSA-N 408.454 3.439 0 40 HGAB O=C1C[C@H](NCC2CCN(Cc3ccc(F)cc3)CC2)C(=O)N1c1ccc(F)cc1 4784501 SJBAWJOLLCFLJK-NRFANRHFSA-N 413.468 3.099 0 40 HGAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)cc1C 4815428 JJTUMVZRULFUNA-LBPRGKRZSA-N 416.421 3.328 0 40 HGAB CCc1ccc(CN(C(=O)/C=C/c2ccc(OC)cc2)[C@H]2CCS(=O)(=O)C2)cc1 5025765 TWBQEHXITKHGPX-BGVYSJOJSA-N 413.539 3.487 0 40 HGAB COc1ccc(N2CCCS2(=O)=O)cc1NC(=O)c1ccc(OC(C)C)cc1 5075965 KZSDKGYUIMRKGH-UHFFFAOYSA-N 404.488 3.275 0 40 HGAB CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc(C(=O)OC)cc1 5430318 DLHCKOSVEPJFER-UHFFFAOYSA-N 410.499 3.406 0 40 HGAB COc1ccc(C2=CC(=C3C(=O)N(C)C(=O)N(C)C3=O)c3cc(C)ccc3O2)cc1 5937325 MHGOALIOVLNHPG-UHFFFAOYSA-N 404.422 3.241 0 40 HGAB COc1ccc(NC(=O)[C@]2(CC(=O)O)CC(C3=Cc4ccccc4OC3)=NO2)cc1 6755182 YEDYSAGPGDRNPJ-JOCHJYFZSA-N 408.410 3.100 0 40 HGAB NC(=O)[C@@H]1CCCN(C(=O)CSc2nc(Nc3ccccc3)c3ccccc3n2)C1 7095364 PDEPJDWTZVVOGH-OAHLLOKOSA-N 421.526 3.189 0 40 HGAB O=C(CCNC(=O)c1ccc(Cl)cc1)O[C@@H](C(=O)N1CCCC1)c1ccccc1 7112544 JIFZPZRBWIGERA-HXUWFJFHSA-N 414.889 3.367 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=S)NCc2ccccc2)c1 7156498 LBDSSIJZUIYPIO-UHFFFAOYSA-N 407.561 3.212 0 40 HGAB CCc1ccccc1N1C[C@H](C(=O)O[C@H](C(=O)NC2CC2)c2ccccc2)CC1=O 7504877 XMYCYPAMXCPYMF-GCJKJVERSA-N 406.482 3.165 0 40 HGAB COc1ccc(OCCNC(=O)c2nn(-c3ccccc3Cl)c(C)cc2=O)cc1 7816135 STIOEKOCTRNYMM-UHFFFAOYSA-N 413.861 3.012 0 40 HGAB O=C(Nc1nc2c(s1)CN(Cc1ccccc1)CC2)[C@H]1CC(=O)N(C2CCCC2)C1 8394790 WHCGFOCAEXKKJM-KRWDZBQOSA-N 424.570 3.431 0 40 HGAB O=C(c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)c1)N1CCc2ccccc21 8755143 AEBNYKBTJXHMQD-INIZCTEOSA-N 420.918 3.000 0 40 HGAB O=C(COc1ccc2ccccc2c1)NC[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 8987381 LFHKEQOVIYKJSS-MRXNPFEDSA-N 418.449 3.117 0 40 HGAB CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2cc(=O)c3ccccc3o2)c1 9614104 QTIXYDVRXGMOBK-UHFFFAOYSA-N 400.456 3.122 0 40 HGAB CCOc1ccccc1CCCNC(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O 10110930 VTPRGBFANRAUPM-UHFFFAOYSA-N 424.950 3.254 0 40 HGAB O=C(Cn1nc(-c2ccc(Br)cc2)ccc1=O)NCc1ccc(F)cc1 10131924 YZGJSHMICYVXDP-UHFFFAOYSA-N 416.250 3.128 0 40 HGAB Cc1cc(N2CCN(C(=O)c3ccc(OCC(F)(F)F)nc3)CC2)nc(C(C)C)n1 10258263 BTGGUFLEAFGMHM-UHFFFAOYSA-N 423.439 3.207 0 40 HGAB COc1ccc(NC(=O)NCCNc2ccc(Nc3cc(C)ccn3)nn2)cc1OC 11696796 MDHCZDVZLRNARA-UHFFFAOYSA-N 423.477 3.174 0 40 HGAB CCNc1ccc(S(=O)(=O)N(C)C)cc1NCc1nc(-c2cccs2)no1 12555655 JTVBQQMFCZYOHP-UHFFFAOYSA-N 407.521 3.092 0 40 HGAB Cc1[nH]c2ccccc2c1C(=O)COC(=O)c1sccc1S(=O)(=O)NC1CC1 12820225 URZRHWSBMFKLSN-UHFFFAOYSA-N 418.496 3.018 0 40 HGAB C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1)c1ccccc1 12821588 BWNQUOAPEUCWMH-AWEZNQCLSA-N 408.470 3.243 0 40 HGAB CC(C)[C@@H](CNC(=O)c1ccc(NC(=O)Nc2ccccc2)cc1)N1CCOCC1 12998557 RWOCOSOWZOOJHC-OAQYLSRUSA-N 410.518 3.417 0 40 HGAB Cc1ccc(S(=O)(=O)Nc2ccc(I)cc2)cc1C(=O)O 13348838 CKVIWDSDVJCUJL-UHFFFAOYSA-N 417.224 3.099 0 40 HGAB COc1ccc(F)cc1S(=O)(=O)N(C)CC(=O)Nc1cccc(Cl)c1C 13580980 GYFFQTQHQLUDHN-UHFFFAOYSA-N 400.859 3.055 0 40 HGAB COC(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCCC[C@H]3C)cc2)s1 15194494 CJLKLGWXMWHZSC-CYBMUJFWSA-N 422.528 3.350 0 40 HGAB Cc1cc(C)c(NC(=O)CNC(=O)c2sc3nc4n(c(=O)c3c2C)CCC4)c(C)c1 15535765 OGGSVIRDSGLGCT-UHFFFAOYSA-N 424.526 3.006 0 40 HGAB CC(C)[C@@H](NC(=O)OC(C)(C)C)c1nnc(S(=O)(=O)Cc2ccccc2F)o1 15998878 QLIYODTWVMQZQD-CQSZACIVSA-N 413.471 3.404 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC(C(=O)N3c4ccccc4C[C@@H]3C)CC2)cc1 16022686 HPCLTLQJLJVCSW-INIZCTEOSA-N 414.527 3.074 0 40 HGAB Cc1cc(=O)[nH]c(-n2nc(C)c(CCC(=O)Nc3nc4ccccc4s3)c2C)n1 16849619 RRGARZCEQBMKBM-UHFFFAOYSA-N 408.487 3.062 0 40 HGAB CC(=O)Nc1ccc(CN2CCC(c3cc(=O)[nH]c(N4CCCCC4)n3)CC2)cc1 19022438 MEFWPEKESLETNL-UHFFFAOYSA-N 409.534 3.098 0 40 HGAB C[C@H](Oc1cccc(F)c1)C(=O)N1CCN([C@H](c2ccccc2)c2nccn2C)CC1 19079087 ROXDDMLFTRKKQE-PGRDOPGGSA-N 422.504 3.260 0 40 HGAB COc1ccc(-c2nnc3n2[C@H]2CCCC[C@H]2N(C(=O)c2cc(C)no2)C3)cc1OC 19119982 DOHFQQRPKSIPJS-CVEARBPZSA-N 423.473 3.398 0 40 HGAB COc1ccc(CC(=O)N[C@H](Cc2c[nH]c3ccccc23)c2cc(=O)[nH]c(C)n2)cc1 19240989 UHQQYXXVNGSLNF-OAQYLSRUSA-N 416.481 3.211 0 40 HGAB Oc1nc(-c2ccccn2)nc2c1CCN(Cc1cnn(-c3ccc(F)cc3)c1)C2 19402358 PIYUCILANCWFAL-UHFFFAOYSA-N 402.433 3.127 0 40 HGAB C[C@@H](Cn1cncn1)C(=O)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1 19457783 LZASFBDVHXATCV-IBGZPJMESA-N 404.514 3.089 0 40 HGAB O=C(CCCN1CCCC1=O)Nc1ccc(-c2cn3nc4c(nc3n2)CCCC4)cc1 19657262 YRWSVVOEPMZZCU-UHFFFAOYSA-N 418.501 3.011 0 40 HGAB Cc1cn(C)c2ccc(C(=O)Nc3cccc(NC(=O)CN4CCOCC4)c3)cc12 19663041 RJIQQJLKHMHZHB-UHFFFAOYSA-N 406.486 3.010 0 40 HGAB CCN1CCC(CC(=O)N2CCC(c3ccc(C(=O)NCC4CC4)cn3)CC2)CC1 19708378 ZCUIZGINBBSQDM-UHFFFAOYSA-N 412.578 3.049 0 40 HGAB Cc1nc(C(F)(F)F)ccc1C(=O)N[C@H]1CCCN(C(=O)c2c(C)noc2C)CC1 19749078 IRDAZGZERZJYRH-AWEZNQCLSA-N 424.423 3.438 0 40 HGAB Cc1cc(NC(=O)Cn2cc(C(=O)N[C@H](C)c3ccc(C(C)C)cc3)ccc2=O)no1 19750855 NMPMLCYBMSYFAT-MRXNPFEDSA-N 422.485 3.398 0 40 HGAB O=C(NCc1ccccc1)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1 19860680 FGHUOIJUPJNFLX-SFHVURJKSA-N 406.935 3.198 0 40 HGAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)CCN1CCN(C)CC1 19902543 FSEMDLVNGCNLCZ-UHFFFAOYSA-N 401.532 3.168 0 40 HGAB CCN(CC(=O)Nc1c(F)cccc1F)S(=O)(=O)c1ccc(OC)c(Cl)c1 19930172 FYQMOKZBPMQEDG-UHFFFAOYSA-N 418.849 3.276 0 40 HGAB O=C(CN1CCN(C/C=C/c2ccccc2)CC1)Nc1ccc2c(c1)OCCCO2 22816549 CYOCLJWQSILHCN-XBXARRHUSA-N 407.514 3.117 0 40 HGAB COC(=O)c1ccc(NC(=O)C2CCN(c3ccc(-c4ccco4)nn3)CC2)cc1 23143358 BDPRBLXISGFLGN-UHFFFAOYSA-N 406.442 3.378 0 40 HGAB O=C(COc1cccc(C(F)(F)F)c1)Nc1cccc(S(=O)(=O)NC2CC2)c1 25063889 SFBPFMQXOQZYNJ-UHFFFAOYSA-N 414.405 3.164 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(CCC(=O)Nc2ccccc2C(=O)OC)cc1 26765071 UVKXPIQHRXGZQJ-UHFFFAOYSA-N 418.515 3.075 0 40 HGAB CS(=O)(=O)N1CC[C@H](C(=O)Nc2ccc(F)c(F)c2)Oc2ccc(Cl)cc21 30938477 ZTKQRROUXNFAKH-MRXNPFEDSA-N 416.833 3.174 0 40 HGAB COc1ccc(C(=O)CCNc2ccc(N3C(=O)[C@@H]4CCCN4C3=O)cc2)cc1OC 30952876 YLNDINWZBMHPGH-SFHVURJKSA-N 423.469 3.320 0 40 HGAB COC(=O)c1ccc(OC[C@@H](O)CN(C)Cc2ccccc2N2CCCCC2)cc1 32843149 GJAWODLPEKHSDA-NRFANRHFSA-N 412.530 3.335 0 40 HGAB Cc1ccc2c(c1)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@H]2CCCN21 35840138 GDODBXYULPSREU-GBPOLFSSSA-N 421.884 3.080 0 40 HGAB CCOC(=O)c1ccc(N2C[C@H](C(=O)NCCc3c[nH]c4ccccc34)CC2=O)cc1 36370050 TXMIFKCSFHLZFO-GOSISDBHSA-N 419.481 3.056 0 40 HGAB biogenic O=C(NCC1(c2ccc3c(c2)OCCO3)CCCC1)[C@H]1CCCN(c2cnccn2)C1 40071347 NVOHHTWDZKORSE-SFHVURJKSA-N 422.529 3.092 0 40 HGAB CCCS(=O)(=O)N1CCC[C@H](C(=O)Nc2nc(-c3ccccc3OC)cs2)C1 40134090 DRCHFOZJWHTEQP-AWEZNQCLSA-N 423.560 3.209 0 40 HGAB CCc1ccc(NC(=S)c2c(N)nc(N3CCc4ccccc4C3)[nH]c2=O)cc1 40385574 GHBBEJOSHADERU-UHFFFAOYSA-N 405.527 3.265 0 40 HGAB Oc1nc(N2CCOCC2)nc2ncn(-c3cc(Cl)cc(Cl)c3)c(=S)c12 40385699 YHWFKBHBZMJSCB-UHFFFAOYSA-N 410.286 3.394 0 40 HGAB CC[C@H](C)[C@H](NC(=O)N1CCc2nc[nH]c2[C@H]1c1cc(Cl)ccc1F)C(=O)OC 43735313 ADRAJSOYDBQBDU-SDDDUWNISA-N 422.888 3.447 0 40 HGAB CC[C@@H](NC(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1)c1ccc(C)cc1 44935950 NUHDKIIOZAGXPM-APWZRJJASA-N 422.934 3.443 0 40 HGAB Cc1ccc(OCc2nc(C(=O)N[C@H]3CCCN(c4ncccn4)C3)cs2)cc1 46424600 WAMAWUOJNGRZFD-INIZCTEOSA-N 409.515 3.219 0 40 HGAB Cc1cc(C)n(CCCNC(=O)[C@H]2CC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)n1 48325945 HWHNWUJCNQTCFF-KRWDZBQOSA-N 422.451 3.074 0 40 HGAB Cc1ccc(C)c(-c2cc3c(=O)n(CC(=O)N[C@@H](C)c4ccc(F)cc4)ncn3n2)c1 51317106 MOIOQQYJKDKZDI-INIZCTEOSA-N 419.460 3.191 0 40 HGAB COC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCCc3ccccc32)cc1 58144612 CEBRZFHCMBBUIU-FOIQADDNSA-N 417.531 3.199 0 40 HGAB Cc1cc(N2C[C@@H](C(=O)N(C[C@@H]3CCOC3)C3CC3)CC2=O)ccc1Br 58431069 JRWLUIJMSSQIKN-GJZGRUSLSA-N 421.335 3.138 0 40 HGAB Cc1cc(OCC(=O)N2N=C(C(F)(F)F)C[C@@]2(O)C(F)(F)F)ccc1Cl 59192147 CTLWIIUIPCVHQS-GFCCVEGCSA-N 404.694 3.429 0 40 HGAB CC(=O)NC1(C(=O)NC2CCN(c3nc4ccccc4s3)CC2)CCCCC1 65925989 ASGONPHHLMUARX-UHFFFAOYSA-N 400.548 3.220 0 40 HGAB Cc1cccc(N2CCN(C(=O)Nc3ccc(CCN4CCOCC4)cc3)[C@@H](C)C2)n1 72313608 WSPAMSBDXNHAOJ-FQEVSTJZSA-N 423.561 3.007 0 40 HGAB Cc1ccc(=O)n(CC2(O)C[C@@H]3CC[C@H](C2)N3Cc2ccc(OC(F)(F)F)cc2)n1 72394801 IBNWYSXGKZDABF-XEWABKELSA-N 423.435 3.008 0 40 HGAB COc1cccc2sc(N3CC(C(=O)NCc4nc(-c5ccccc5)no4)C3)nc12 77101401 UMYRRYIPPZPRKR-UHFFFAOYSA-N 421.482 3.108 0 40 HGAB CO[C@H](C)c1nc(CN2CCCN(C(=O)CO[C@H]3CCCC[C@H]3C)CC2)cs1 79053960 QQYQSNBXQRKMFI-LMMKCTJWSA-N 409.596 3.480 0 40 HGAB C[C@H](NC(=O)c1cc(=O)[nH]c2c(Br)cccc12)[C@@H](O)Cc1ccccc1 89598415 KQHPRAQUXZBYSK-SJCJKPOMSA-N 415.287 3.013 0 40 HGAB COc1ccc(/C=C2/SC(=O)N(CC(=O)N[C@H]3CCCC[C@H]3C)C2=O)cc1OC 89927677 WBNCKQLRAWTVIR-XKJAGQOOSA-N 418.515 3.435 0 40 HGAB O=C(CCn1cnc2ccccc2c1=O)NCCCCCc1nc2ccccc2[nH]1 94993235 LOHMVYJVMBFXEB-UHFFFAOYSA-N 403.486 3.192 0 40 HGAB COc1ccc2c(C)c(CCC(=O)N[C@@H](C)c3nnc4ccccn34)c(=O)oc2c1C 95479878 ASIHMSKBCUDQOU-HNNXBMFYSA-N 420.469 3.271 0 40 HGAB Oc1ccccc1N1CCN(Cc2nc(O)c3ccc(C(F)(F)F)cc3n2)CC1 95949721 RUPLNRJLLZLMMK-UHFFFAOYSA-N 404.392 3.382 0 40 HGAB COc1ccc(-c2nn(CCCC(=O)Nc3ccc(C)cn3)c(=O)cc2OC)cc1 96100903 QMHGAWKEWJJYCN-UHFFFAOYSA-N 408.458 3.050 0 40 HGAB O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H]1CCCN(c2ccc(-n3cncn3)nn2)C1 96124094 IBHHXUMFUOZZIJ-GFCCVEGCSA-N 418.288 3.219 0 40 HGAB CNC(=O)C[C@H]1CC2(CCN(C(=O)Cc3cccc(F)c3)CC2)Oc2ccccc21 96243012 NRCLACZVWNXMRX-SFHVURJKSA-N 410.489 3.432 0 40 HGAB CNC(=O)[C@H]1CCCC[C@@H]1NCC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1 97165607 PAXTVTCSQVBMRE-ROUUACIJSA-N 411.550 3.003 0 40 HGAB O=C1N[C@@]2(C[C@H]3CC[C@H]2C[C@H]3C(=O)NC[C@H]2Cc3ccccc3O2)Nc2ccccc21 100117986 DRHNZLKKBDZOQB-ZTDQHOIESA-N 417.509 3.094 0 40 HGAB COc1ccc(OC)c(C2=NO[C@@H]3C(=O)N(c4ccc(Cl)cc4Cl)C(=O)[C@H]23)c1 101275764 NFGWILGBIZOCNO-WBVHZDCISA-N 421.236 3.303 0 40 HGAB CCOc1ccc(CNC(=O)CCCN(c2ccccc2C)S(C)(=O)=O)cc1 113966536 FMGHYDYPYGQRSK-UHFFFAOYSA-N 404.532 3.256 0 40 HGAB COc1ccc(CCNc2ccc(S(=O)(=O)NC(C)(C)C)cc2C(=O)O)cc1 217565354 JYUKFZDJROLJND-UHFFFAOYSA-N 406.504 3.125 0 40 HGAB Cc1ccc(OC[C@@H](C)NC(=O)CCCN(c2ccccc2)S(C)(=O)=O)cc1 219174301 UOYOPYVYJBLROG-GOSISDBHSA-N 404.532 3.125 0 40 HGAB Cc1ccc(OC[C@@H](C)NC(=O)[C@H]2CCCN(S(=O)(=O)c3cccs3)C2)cc1 219258844 JROHUNXEZDSURG-SJORKVTESA-N 422.572 3.041 0 40 HGAB CC[C@H](C(=O)NCCSC1CCCC1)N(c1ccc(F)cc1)S(C)(=O)=O 222538736 YRJOZQZRXAPRBR-QGZVFWFLSA-N 402.557 3.162 0 40 HGAB COc1ccc(S(=O)(=O)NC(C)(C)Cc2ccccc2)cc1C(=O)N1CCCC1 223252515 JUWYNDAZAYRLPR-UHFFFAOYSA-N 416.543 3.231 0 40 HGAB CCOC(=O)c1cc(N(C)S(=O)(=O)c2ccc(NC(C)=O)cc2)ccc1Cl 224904102 BZJRHLLRZUTLJZ-UHFFFAOYSA-N 410.879 3.300 0 40 HGAB CCCn1c(=O)sc2cc(S(=O)(=O)Nc3nnc(SCC)s3)ccc21 225736472 KISPSQXCJAMYKT-UHFFFAOYSA-N 416.575 3.237 0 40 HGAB C[C@H]1CCCCN1S(=O)(=O)c1cc(Br)c(N)c(Br)c1 226305458 GUFVAMPRWUQHEO-QMMMGPOBSA-N 412.147 3.357 0 40 HGAB O=C(NCc1nnc2ccc(-c3cccs3)nn12)c1ccc(Cn2ccnc2)cc1 244942663 CTXAWVVWJBTLAN-UHFFFAOYSA-N 415.482 3.028 0 40 HGAB CCS(=O)(=O)N1C[C@@H](C(=O)N[C@H](C)c2cc(C)ccc2C)Oc2ccccc21 250245466 OQRVMLKGCGHJRA-UZLBHIALSA-N 402.516 3.098 0 40 HGAB COc1ccc(N([C@H](C)C(=O)NCc2cccc3ccccc23)S(C)(=O)=O)cc1 260830788 HUFFLIGQHUWARL-MRXNPFEDSA-N 412.511 3.319 0 40 HGAB COc1ccc(N([C@H](C)C(=O)NCc2ccc3ccccc3c2)S(C)(=O)=O)cc1 260830871 IVHRVLLNZJBJTR-MRXNPFEDSA-N 412.511 3.319 0 40 HGAB Cc1ccc2c(c1)N(S(=O)(=O)c1ccccc1)C[C@H](C(=O)N[C@@H](C)C(C)C)O2 260912921 YZKUYIILFZNUNX-OXJNMPFZSA-N 402.516 3.112 0 40 HGAB Cc1ccsc1CN1CCC2(CC1)CN(C)C[C@@H](C(=O)NCc1cccs1)O2 306144668 ZLQCLSNNLGUNKE-SFHVURJKSA-N 419.616 3.100 0 40 HGAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccc(F)c(Cl)c2)cc1C 408624457 QHRBLWXDZRMSJS-LBPRGKRZSA-N 414.886 3.492 0 40 HGAB Cc1ccc([C@H]2[C@H](NC(=O)c3ccc(F)cc3)C(=O)N/[N+]2=C\c2ccccc2C)cc1 409061576 FXJSUONEGDLKHO-WAUWHALJSA-O 416.476 3.459 0 40 HGAB Cc1c(Cl)cccc1N(CC(=O)NCc1ccccc1Cl)S(C)(=O)=O 409135752 SDBQJZQCIXYDLL-UHFFFAOYSA-N 401.315 3.384 0 40 HGAB CCCCNC(=O)CN1C(=O)S/C(=C\c2cc(OCC)c(OC)cc2C)C1=O 409216544 MCEBCOBXDSNVJK-BOPFTXTBSA-N 406.504 3.355 0 40 HGAB Cc1cccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)c(F)c3F)C2=O)n1 409362120 RYUFPPPJSZYRPW-NTUHNPAUSA-N 407.373 3.482 0 40 HGAB COc1ccc(-c2n[nH]c3c2CCN(C(=O)CCc2ccnc(OC)c2)CC3)cc1 585110420 SDWIHECDAAKGTR-UHFFFAOYSA-N 406.486 3.049 0 40 HGAB Cc1nc(/C=C/C(=O)N2CCC[C@H](c3csc(Nc4cnccn4)n3)C2)cs1 585290574 CSUPEOVORKYZNS-NNTXTVRGSA-N 412.544 3.861 0 40 HGAB COC(=O)[C@@H](CNC(=O)CNc1cccc(C(F)(F)F)c1)Cc1cccc(F)c1 609280386 ITRZBPBHXQDZGL-CQSZACIVSA-N 412.383 3.405 0 40 HGAB C[C@H](NC(=O)c1cc2c(cc1Cl)NC(=O)CO2)c1cccc(N2CCOC2=O)c1 1633909403 DKOYYTDQSYDQLK-NSHDSACASA-N 415.833 3.119 0 40 HGAB CN(C)C(=O)c1sc2nc([C@@]3(C)CCCN(C4CCOCC4)C3)ccc2c1N 2037666366 RNQYQYUMISSMAV-NRFANRHFSA-N 402.564 3.113 0 40 HGAB O=C(Cn1cnc2c(cnn2-c2ccccc2)c1=O)Nc1cccc(C(F)(F)F)c1 807121 BEPNGHZQVBQTOV-UHFFFAOYSA-N 413.359 3.240 0 40 HGAB CCCN(CCC)C(=O)Cn1c(=O)n(-c2cc(C)cc(C)c2)c(=O)c2sccc21 2466767 AVGGQMDQJLAPPL-UHFFFAOYSA-N 413.543 3.479 0 40 HGAB Cc1cc2ccccn2c1C(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1 3203411 OPPYMRDZZJWNSV-IAGOWNOFSA-N 412.511 3.277 0 40 HGAB NC(=O)c1c(NC(=O)CSc2nc(-c3cccs3)n[nH]2)sc2c1CCCC2 3326107 HXCBSCDFSQOMKU-UHFFFAOYSA-N 419.557 3.303 0 40 HGAB COc1ccc(C)cc1-n1nnnc1SCC(=O)NCc1ccccc1Cl 3491699 KTCSLZZIZDDCRI-UHFFFAOYSA-N 403.895 3.041 0 40 HGAB Cc1ccc(-n2ncc3c(=O)n(CC(=O)Nc4cccc(Cl)c4)cnc32)cc1C 4101925 ZCWDKCQSVXFIKL-UHFFFAOYSA-N 407.861 3.491 0 40 HGAB CC1(C)O[C@@H]2O[C@@H](C(=O)Nc3cccc(C(F)(F)F)c3)[C@H]3OC(C)(C)O[C@H]3[C@H]2O1 4303684 JPMRKXGFGGGORQ-YTBGYOSVSA-N 417.380 3.040 0 40 HGAB CCC(=O)Nc1ccc(C(=O)CN2C(=O)N[C@](C)(c3ccc(Cl)cc3)C2=O)cc1 4468448 PNBVZWRVJJKKGY-OAQYLSRUSA-N 413.861 3.338 0 40 HGAB COc1ccc(C)cc1NC(=O)CSc1nnc(-c2ccc3c(c2)OCO3)n1C 4736399 NBBSQZLDDWPZIW-UHFFFAOYSA-N 412.471 3.259 0 40 HGAB COc1cccc(Cn2nnc(C(=O)NCc3ccc(Cl)cc3Cl)c2N)c1 4878310 DBLYKTAJHSEYEI-UHFFFAOYSA-N 406.273 3.154 0 40 HGAB CCC(C)(C)NC(=O)c1ccc2c(c1)N(CC(=O)NC1CCCC1)C(=O)C(C)(C)O2 4965842 RGYBRAVDYFNPKI-UHFFFAOYSA-N 415.534 3.168 0 40 HGAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccccc1C(F)(F)F 5615617 SIHSRNIOBKVLDR-UHFFFAOYSA-N 402.394 3.217 0 40 HGAB O=C(NC1CCCCCCC1)c1cccc(NC2=N[C@@H]3CS(=O)(=O)C[C@H]3S2)c1 6739093 WUZFJRFYCXKNEV-QZTJIDSGSA-N 421.588 3.210 0 40 HGAB Cc1cc(Br)ccc1NC(=O)CN(C)CC(=O)N[C@@H](C)c1ccco1 7680577 VRWPFNDFOLUNRO-ZDUSSCGKSA-N 408.296 3.098 0 40 HGAB CC1CCN(Cc2nc(NCCN3CCOCC3)c3c4c(sc3n2)CCC4)CC1 7814127 KYKOIINZIMLFGK-UHFFFAOYSA-N 415.607 3.156 0 40 HGAB COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)NCCCn2ccnc2)cc1 8021833 PDVSVHIZGIQRMZ-UHFFFAOYSA-N 402.454 3.201 0 40 HGAB O=C(C[C@@H]1C=CCC1)N1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 8191778 KXVYHKCDKZWSER-CYBMUJFWSA-N 403.331 3.183 0 40 HGAB O=C(CN1CCC[C@@H]1c1ccc2c(c1)OCCCO2)N1CCN(c2ccccc2)CC1 8310465 SFRMSASJAZHTFI-JOCHJYFZSA-N 421.541 3.334 0 40 HGAB CCCC[C@H](C(=O)OCC(=O)N[C@@H](C)c1ccccc1)N1C(=O)c2ccccc2C1=O 8411234 PGAYRUMFXQWMAE-OXJNMPFZSA-N 422.481 3.262 0 40 HGAB CCN1CCc2c([nH]c3ccccc23)[C@@H]1c1c(O)nc(O)n(Cc2ccccc2)c1=O 8995941 ZKBNDKNQZXPRLV-NRFANRHFSA-N 416.481 3.152 0 40 HGAB biogenic Cc1cc(C)n(-c2nc3c(c(=O)n2CC(=O)Nc2ccc(Cl)cc2)CCCC3)n1 9828825 QVUYXQWHKKSRIL-UHFFFAOYSA-N 411.893 3.217 0 40 HGAB O=C(CSc1nnnn1C[C@@H]1CCCO1)Nc1ccccc1Cc1ccccc1 9885334 SLULTRTWAMMXMQ-SFHVURJKSA-N 409.515 3.174 0 40 HGAB COC(=O)c1cccc(NC(=O)CSc2nnc(COc3ccc(C)cc3)o2)c1 10475569 ZJYGJNJBQBVRKW-UHFFFAOYSA-N 413.455 3.474 0 40 HGAB CNC(=O)NC(=O)[C@@H](C)Sc1nc2sc(C)c(C)c2c(=O)n1C1CCCC1 11385748 DHZKBWSSHMDYPR-LLVKDONJSA-N 408.549 3.126 0 40 HGAB CC(=O)N1CCCc2cc([C@@H](O)CN3CCC(O)(c4ccccc4C)CC3)ccc21 12291262 FTTDSNGRVQEZMV-DEOSSOPVSA-N 408.542 3.311 0 40 HGAB CC(=O)Nc1c(C)ccc(CNC(=O)Cn2c(=O)oc3ccc(Cl)cc32)c1C 12447419 PGGANHNOPJZZCG-UHFFFAOYSA-N 401.850 3.140 0 40 HGAB CSc1nc(C)c(CCC(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)c(C)n1 12808616 VXNRHIWBFGRWLB-GFCCVEGCSA-N 407.561 3.029 0 40 HGAB COc1cccc(CN(C)C(=O)C23C[C@@H]4C[C@@H](CC(NC(C)=O)(C4)C2)C3)c1OC 12866601 PEYDRGUEBFKZRC-WDXRGRCHSA-N 400.519 3.137 0 40 HGAB CC[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccn(C)c2)CC1)c1ccc(C)cc1 12998000 FEQOOVCERIEBAR-FQEVSTJZSA-N 403.548 3.002 0 40 HGAB Cc1nc2c(=O)n(CC(=O)c3ccc4c(c3)OCCO4)nc(-c3ccco3)c2s1 13010552 XGAUDRBXLQXGRN-UHFFFAOYSA-N 409.423 3.076 0 40 HGAB CCOc1ccc(C2=N/C(=C\c3ccccc3OCC(=O)O)C(=O)O2)cc1OCC 13338224 IXBCMIKCMJRRFS-WJDWOHSUSA-N 411.410 3.292 0 40 HGAB COc1ccc(F)cc1S(=O)(=O)N(C)CC(=O)Nc1ccc(Cl)c(Cl)c1 13580992 RFOMEFOODPOAJT-UHFFFAOYSA-N 421.277 3.400 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)N1c2ccccc2C[C@@H]1C 13668691 PDWNKJLEDBJQHN-HNNXBMFYSA-N 400.500 3.071 0 40 HGAB O=C(Nc1cccc(Br)c1)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 14019313 HPDGAYODUROVMT-CQSZACIVSA-N 423.332 3.489 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=S)NN2[C@H](C)CCC[C@H]2C)c1 16190897 SFRDHQRTQLFHLV-HZPDHXFCSA-N 412.625 3.490 0 40 HGAB COc1cc(CN2CCC3(CC2)CN(C(C)=O)Cc2ccccc2O3)cc(OC)c1 19019773 KLZLSQWOLGVUPA-UHFFFAOYSA-N 410.514 3.480 0 40 HGAB Cc1cc2n(n1)[C@@H](C(F)F)C[C@@H](C1CCN(C(=O)CCc3cccnc3)CC1)N2 19128662 XQTNCLAZZUFMEZ-ZWKOTPCHSA-N 403.477 3.448 0 40 HGAB COc1nn(CC(=O)N2CCC[C@@H](COc3ccccc3C)C2)c(=O)c2ccccc12 19237349 RLSOHPIUKSNGFB-GOSISDBHSA-N 421.497 3.031 0 40 HGAB c1ccc(Cn2nnnc2[C@H](c2ccccn2)N2CCN(c3ccccc3)CC2)cc1 19372848 CLBYMDGEISBJCB-QHCPKHFHSA-N 411.513 3.028 0 40 HGAB CC[C@@H](C)C(=O)N1CC[C@H](c2nc(O)c3c(n2)CCN(Cc2ccccc2OC)C3)C1 19499784 OQATWKUFUVPNCU-AEFFLSMTSA-N 424.545 3.111 0 40 HGAB CCOc1ccc(CC(=O)N2CCC[C@H]2c2nc(O)c3c(n2)CCN(C(C)C)C3)cc1 19532939 RVDLXTIURWTWEA-NRFANRHFSA-N 424.545 3.254 0 40 HGAB Cc1nc(C)c(C(=O)N2CCCC[C@H]2c2nc(O)c3c(n2)CN(C(C)C)CC3)s1 19560126 DBQXNMQKOYMEFT-KRWDZBQOSA-N 415.563 3.389 0 40 HGAB CCc1noc(C)c1C(=O)NCCN1C(=O)S/C(=C\c2ccccc2F)C1=O 19622416 NZSJRJQCHPNXAT-GDNBJRDFSA-N 403.435 3.151 0 40 HGAB CCCCNC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1cc(Cl)ccc1OC 20009319 XZZVWMDPNOBLTA-QGZVFWFLSA-N 424.950 3.155 0 40 HGAB CC[C@@H](NC(=O)COc1ccc(CN(C)S(C)(=O)=O)cc1)c1ccc(C)cc1 20047524 FSBRMKBKSOYTNK-HXUWFJFHSA-N 404.532 3.033 0 40 HGAB COc1ccc([C@H]2CCCCCN2S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)cc1 24052144 ORXFGCUFCWBXTA-HXUWFJFHSA-N 423.556 3.405 0 40 HGAB O=C(NCCNc1ncc(C(F)(F)F)cc1Cl)c1ccc(-n2ccnc2)nc1 25339640 ZMDNAAJTCVSVKR-UHFFFAOYSA-N 410.787 3.176 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3nc4c(s3)CCC4)C2)s1 25769384 RKLIHSBXYJCCOM-LBPRGKRZSA-N 411.574 3.041 0 40 HGAB COC(=O)C1=C(C)N=c2s/c(=C/c3cccs3)c(=O)n2[C@@H]1/C=C/c1ccccc1 27027021 XUSQCLRADHYPOY-JLPRDLAKSA-N 422.531 3.135 0 40 HGAB O=C(Nc1ccc2c(c1)OC(F)(F)O2)c1ccccc1S(=O)(=O)N1CCCCC1 28255159 MZAYHADCQWQCTB-UHFFFAOYSA-N 424.425 3.435 0 40 HGAB CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)c1cccc(NS(C)(=O)=O)c1 30314191 QKZGOQLQELZBFH-UHFFFAOYSA-N 402.394 3.229 0 40 HGAB Cc1c(NC(=O)c2ccccc2OC[C@@H]2CCCO2)c(=O)n(-c2ccccc2)n1C 32491664 URZRYYGYYPVNHA-SFHVURJKSA-N 407.470 3.295 0 40 HGAB CCc1nc2ccc(C(=O)Nc3cc(OC)c(OC)cc3C(=O)NC)cc2nc1CC 32922933 DOUJRAQNETXAMT-UHFFFAOYSA-N 422.485 3.384 0 40 HGAB C[C@H](Sc1nnc(C(F)(F)F)n1N)C(=O)Nc1nc(-c2ccccc2)cs1 36184476 ZBPBMNXIJDMBBH-QMMMGPOBSA-N 414.438 3.254 0 40 HGAB CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1ccc2c(c1)OCCO2 36719087 NOQKFDRHGZMKGN-UHFFFAOYSA-N 408.376 3.366 0 40 HGAB CS(=O)(=O)Nc1ccc(C(=O)N[C@@H]2CCCc3c2cnn3Cc2ccccc2)cc1 40081844 FVDUREGHNUPYOT-HXUWFJFHSA-N 424.526 3.110 0 40 HGAB C[C@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)Nc1cccc(-c3ccn[nH]3)c1)C2=O 40087258 VIOJDFBVTKKDFP-FPTDNZKUSA-N 409.490 3.152 0 40 HGAB COc1cc(CNC(=O)Nc2ccc(OCC(F)(F)F)nc2)cc(OC)c1OC 48146257 INMWYNFHTZUCSD-UHFFFAOYSA-N 415.368 3.370 0 40 HGAB O=C(Cc1ccc(-n2cccn2)cc1)Nc1ccc(NC(=O)NC[C@@H]2CCCO2)cc1 48326495 JOCTUGCJXIXOAJ-NRFANRHFSA-N 419.485 3.354 0 40 HGAB O=C(NC1CC1)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)C1 51161480 CREMJOFLYLHWCU-JTQLQIEISA-N 410.845 3.038 0 40 HGAB COc1ccccc1N1CCN([C@@H](c2nnnn2Cc2ccccc2)C(C)C)CC1 57670662 KHLCQOWCXDVUOV-JOCHJYFZSA-N 406.534 3.249 0 40 HGAB CS(=O)(=O)Nc1ccc2nc(SCC(=O)N3CCc4ccccc43)sc2c1 59417607 UHHKKMQRMXBOJT-UHFFFAOYSA-N 419.553 3.349 0 40 HGAB CCOC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(Br)cc1 59423901 FKVHHUQPNKZLDG-UHFFFAOYSA-N 416.268 3.347 0 40 HGAB CNC(=O)C1CCC(NC(=O)Cn2c(C)c(Br)c3ccccc32)CC1 63259185 DWOMYHWWBMZTEC-UHFFFAOYSA-N 406.324 3.133 0 40 HGAB Cc1sc(=O)n(CC(=O)NC[C@H](O)c2ccc(F)c(F)c2)c1-c1ccc(F)cc1 69489330 NPUXNLBBHCRRAW-KRWDZBQOSA-N 422.428 3.152 0 40 HGAB COCCOc1ccc(NC(=O)N(C)[C@@H]2CCN(c3ccccc3Cl)C2=O)cn1 72277780 OCWYEHBHJNQIGR-QGZVFWFLSA-N 418.881 3.029 0 40 HGAB C/C=C/c1ccc(OCC(=O)NC[C@H](CO)Cc2cc(F)ccc2F)c(OC)c1 72303118 KGKAEEIHYCCENI-QDLOVBKTSA-N 405.441 3.353 0 40 HGAB C[C@H](C(=O)Nc1ccc2ccccc2c1)N1CCN(C(=O)c2ccccc2O)CC1 72308220 UNSRGGVBAPTYJP-QGZVFWFLSA-N 403.482 3.330 0 40 HGAB CCOC(=O)c1cc(C(=O)OCC)c(=O)n2c1N(Cc1ccccc1Cl)CCC2 72329870 FRMJQFQOWPRQIK-UHFFFAOYSA-N 418.877 3.265 0 40 HGAB CCOC(=O)c1sc(NC(=O)[C@H](C)CS(=O)(=O)c2ccc(F)cc2)cc1C 84795623 LFRHQIWDVDCOFK-GFCCVEGCSA-N 413.492 3.421 0 40 HGAB C[C@@H](NC(=O)C(=O)N[C@@H]1C(=O)N(Cc2ccccc2)c2ccccc21)c1ccccc1 95482634 AQIUIHWYHDFRQC-VGSWGCGISA-N 413.477 3.268 0 40 HGAB COc1ccc(CCc2nc(NC(=O)c3ccc4c(ccn4C)c3)n[nH]2)cc1OC 96117376 AKQYMGPMYVSMQI-UHFFFAOYSA-N 405.458 3.351 0 40 HGAB COc1cc2c(cc1OC)CC(=O)N(CC(=O)N1CCC(c3ccccc3)CC1)C=C2 96223793 UKNPNSOKTYMWPI-UHFFFAOYSA-N 420.509 3.465 0 40 HGAB CC(C)n1c(CCCNC(=O)[C@H]2CCCN(c3ncccn3)C2)nc2ccccc21 96231100 AUUHMMNKDUYEBL-SFHVURJKSA-N 406.534 3.373 0 40 HGAB COc1cccc(C(=O)Oc2ccc(N3C(=O)[C@H]4[C@@H]5C=C[C@@H]([C@H]6C[C@H]56)[C@H]4C3=O)cc2)c1 101000306 SLTBMMZTCUCZOM-BGJURXJTSA-N 415.445 3.472 0 40 HGAB Cc1ccc(-n2nc3c4cc(C(=O)NC[C@H]5CCCO5)ccc4[nH]cc-3c2=O)cc1C 101282111 OMHGGDFDERERHY-GOSISDBHSA-N 416.481 3.344 0 40 HGAB CC(C)Cn1c(SCC(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)nc2ncccc2c1=O 109003051 HLXMVEOMXPHCIT-MUQADHOPSA-N 414.575 3.481 0 40 HGAB COC(=O)c1cccc(NC(=O)CCCN(c2cccc(Cl)c2)S(C)(=O)=O)c1 113955178 AIBBVONKLDAVKS-UHFFFAOYSA-N 424.906 3.312 0 40 HGAB Cc1ccc(N([C@H](C)C(=O)Nc2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1Cl 220361831 FMRGAWQOSIVZHH-CYBMUJFWSA-N 424.906 3.213 0 40 HGAB CCCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(SC)c(NC(C)=O)c1 222709937 KFKMWAJMHQIRSI-UHFFFAOYSA-N 421.544 3.308 0 40 HGAB COc1ccc(CNC(=O)c2cn3c4c(cc(Br)cc4c2=O)CC3)cc1 223098767 TUEQVKYZONKUFF-UHFFFAOYSA-N 413.271 3.259 0 40 HGAB Cn1c(=O)oc2cc(S(=O)(=O)Nc3ccc(Br)cc3)c(Cl)cc21 223344046 AMDCVFCARMDECS-UHFFFAOYSA-N 417.668 3.348 0 40 HGAB COc1ccc(Cl)cc1N([C@@H](C)C(=O)NC[C@@H](C)c1ccccc1)S(C)(=O)=O 224011953 ZKPRAFOGUZYUAV-CABCVRRESA-N 424.950 3.423 0 40 HGAB CC[C@H](NC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1)c1ccc(OC)c(C)c1 225246385 GYCLJYDILQQMIF-IBGZPJMESA-N 404.532 3.200 0 40 HGAB COc1ccc(NS(=O)(=O)c2ccc3c(c2)sc(=O)n3C(C)C)c(OC)c1 225703049 UWFBIPIXGFWECU-UHFFFAOYSA-N 408.501 3.462 0 40 HGAB Cc1cc(S(=O)(=O)N2CCc3ccccc32)ccc1OCC(=O)NCC(C)(C)C 226055284 IKCGMYWSWVLSJG-UHFFFAOYSA-N 416.543 3.288 0 40 HGAB Cc1c(C(N)=O)c2ccccc2n1C(=O)c1ccc(I)cc1 226366612 SLGBITDATHVCNI-UHFFFAOYSA-N 404.207 3.342 0 40 HGAB CCc1nc(CNC(=O)COc2nn(-c3ccccc3)cc2Br)cs1 227151701 PEHVPXXUIVPTQD-UHFFFAOYSA-N 421.320 3.349 0 40 HGAB COc1ccc(Cl)cc1NC(=O)NCc1nnc2cc(-c3nc(C)no3)ccn12 244986145 JHTFZPSZMZUNSC-UHFFFAOYSA-N 413.825 3.071 0 40 HGAB C[C@]12C[C@@H](c3cccc(C(F)(F)F)c3)N(S(C)(=O)=O)[C@H]1CCCCC(=O)N2 257200501 ADOYCXSSNBHNMJ-ZOBUZTSGSA-N 404.454 3.229 0 40 HGAB CCc1ccc([C@H](C)NC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cc1 260759707 CZTOQDOPMMDYOR-ORAYPTAESA-N 422.934 3.307 0 40 HGAB c1cncc(-c2ccc3c([C@H]4CN(Cc5ccc6c(c5)OCO6)CCO4)nnn3c2)c1 306131197 JYMKDXYXTHKAPD-JOCHJYFZSA-N 415.453 3.094 0 40 HGAB COC(=O)c1ccc(Cl)c(NC(=O)CSc2nnc(-c3ccccn3)o2)c1 408583022 QYXLGGFJAMDOSA-UHFFFAOYSA-N 404.835 3.302 0 40 HGAB CC(C)NC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)NCc2ccccc2Cl)cc1 408591315 KZRRTSRSGCEPFE-CQSZACIVSA-N 410.923 3.110 0 40 HGAB CS(=O)(=O)N(CC(=O)NCc1ccc(Cl)cc1Cl)Cc1ccc(F)cc1 408603690 CJDGBZZGZSAJIB-UHFFFAOYSA-N 419.305 3.211 0 40 HGAB C[C@@H](SCC(=O)Nc1cccc(C(=O)N2CCOCC2)c1)c1nc2ccccc2[nH]1 500274907 TVDSSFYFHZYCCJ-OAHLLOKOSA-N 424.526 3.468 0 40 HGAB O=C(Nc1nccs1)[C@@H]1CN(CC2CCOCC2)[C@H]2c3cc(F)ccc3OC[C@@H]12 1772595475 AEOXHOUZSFKWEP-AOIWGVFYSA-N 417.506 3.329 0 40 HGAB O=C(CCN1CCCC1=O)Nc1cscc1S(=O)(=O)c1ccc(Cl)cc1 2037846456 YSJNKCLLLXNBJX-UHFFFAOYSA-N 412.920 3.185 0 40 HGAB COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)Nc2cccc(C)c2C)cc1 639934 AVTWRDZZYYACAF-OAQYLSRUSA-N 423.469 3.122 0 40 HGAB CC[C@]1(C)Cc2c(sc3nnn(CC(=O)Nc4cccc(Cl)c4)c(=O)c23)CO1 658393 PUZVGQLXGKECJD-LJQANCHMSA-N 418.906 3.387 0 40 HGAB COc1ccc(NC(=O)CSc2nnc(CNc3ccc(F)cc3)n2C)cc1 874007 QGLNYBUEDQRZKU-UHFFFAOYSA-N 401.467 3.306 0 40 HGAB O=C(CN(Cc1ccccc1Cl)C(=O)[C@@H]1CSC(=O)C1)NC1CCCCC1 1378570 MWQIGZMJRGPSIL-HNNXBMFYSA-N 408.951 3.397 0 40 HGAB CCOC(=O)c1c(NC(=O)c2nn(C)c(=O)c3ccccc23)sc2c1CCCC2 1431681 MRANDJHBVXTSQP-UHFFFAOYSA-N 411.483 3.303 0 40 HGAB Cc1c(NC(=S)N2CCN(c3ccccc3)CC2)c(=O)n(-c2ccccc2)n1C 1454301 NHWAMPGLGSXURI-UHFFFAOYSA-N 407.543 3.003 0 40 HGAB CCOC(=O)c1sc(NC(=O)CSC(=S)N2CCCC[C@H]2C)nc1C 2426402 DVYKUOVQTNGNGW-SNVBAGLBSA-N 401.579 3.459 0 40 HGAB CCOc1ccc(C(=O)NCC(=O)OCc2cc(=O)oc3cc(CC)ccc23)cc1 2645622 UASCYHZGRCIADU-UHFFFAOYSA-N 409.438 3.227 0 40 HGAB Cc1ccc(-n2c(SCC(=O)NC[C@@H]3CCCO3)nc3ccccc3c2=O)cc1 3530471 NGXOKTURIPPGKR-KRWDZBQOSA-N 409.511 3.081 0 40 HGAB O=C(Cc1cccs1)N(c1ccc(Br)cc1)[C@H]1C=CS(=O)(=O)C1 4165574 DHALSZMEQBVMLF-AWEZNQCLSA-N 412.330 3.397 0 40 HGAB COC(=O)c1ccc(C(=O)N(CCN(C)C)c2nc3ccc(F)cc3s2)cc1 4359166 CWJUXIIRGVKHPP-UHFFFAOYSA-N 401.463 3.430 0 40 HGAB COc1ccc(-c2nc3scc(CCNC(=O)c4ccccc4)n3n2)cc1OC 4374635 YFNHHPDTVGHFNF-UHFFFAOYSA-N 408.483 3.448 0 40 HGAB Cc1ccc(-n2ncc3c(=O)n(CC(=O)Nc4ccc(F)cc4F)cnc32)c(C)c1 4479266 FLGRQKRPZIMHDX-UHFFFAOYSA-N 409.396 3.116 0 40 HGAB COc1ccc(NC(=O)CSCc2nc3sc(C)c(C)c3c(=O)[nH]2)c(OC)c1 4485438 TYYXDIBGDZGBNI-UHFFFAOYSA-N 419.528 3.491 0 40 HGAB CCCc1nnc(NC(=O)CSc2nnc(COc3ccccc3C)n2C)s1 4814757 KXAQIXICXQYUBS-UHFFFAOYSA-N 418.548 3.237 0 40 HGAB CCOc1ccc(NC(=O)CSc2nccn(-c3ccccc3OC)c2=O)cc1 4853131 HQKLFWDFXMNWKR-UHFFFAOYSA-N 411.483 3.371 0 40 HGAB Cc1cccc(C)c1N(CC(=O)NC(C)(C)C)C(=O)CNC(=O)c1cccs1 4861364 GFGSVJNOKCOVMZ-UHFFFAOYSA-N 401.532 3.043 0 40 HGAB Cc1cc(S(=O)(=O)N2CCCc3ccccc32)ccc1OCC(=O)N1CCCC1 4943988 AOLCBNVUBJAPBR-UHFFFAOYSA-N 414.527 3.138 0 40 HGAB CCOC(=O)C1=C(CSCc2ccco2)NC(=O)N[C@@H]1c1ccccc1OC 5018178 OMZGRUGKICTJPT-GOSISDBHSA-N 402.472 3.393 0 40 HGAB COc1ccc(NC(=O)COc2ccccc2F)cc1S(=O)(=O)N1CCCCC1 5065493 VNXMNPNLQBTECO-UHFFFAOYSA-N 422.478 3.026 0 40 HGAB Cc1c(NC(=O)c2cc(=O)c3cc(Cl)ccc3o2)c(=O)n(-c2ccccc2)n1C 5348874 ZNBMKMINIMEKHC-UHFFFAOYSA-N 409.829 3.497 0 40 HGAB COC(=O)c1sccc1NC(=O)CSc1ccccc1NC(=O)CNC(C)C 5633257 ATAVQOUBPUNZFU-UHFFFAOYSA-N 421.544 3.202 0 40 HGAB COc1ccc(Br)cc1S(=O)(=O)NCCSCc1ccco1 6145934 BZBCQZPPIKPHHK-UHFFFAOYSA-N 406.323 3.262 0 40 HGAB Cc1cc(C)c2nc(SCC(=O)NCCN3C(=O)CSC3=O)cc(C)c2c1 6330077 GQYPDBXFORZWKN-UHFFFAOYSA-N 403.529 3.064 0 40 HGAB COC(=O)C1=C(C)N(c2cccc(C(C)=O)c2)C(=O)/C1=C\c1cccc(OC)c1O 6348326 XQSKLPMDAFTELA-PDGQHHTCSA-N 407.422 3.481 0 40 HGAB COc1ccc(CNC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc2)cc1 7064385 NSQQKBIJQIITMY-IAGOWNOFSA-N 416.543 3.292 0 40 HGAB COc1cccc(C(=O)C[C@]2(O)C(=O)N(CN3CCCCCC3)c3ccccc32)c1 8569932 OTKWGJMRQMGFFW-XMMPIXPASA-N 408.498 3.336 0 40 HGAB Cc1cc(C)cc(N2CCCn3c2nc2c3c(=O)n(Cc3ccccc3)c(=O)n2C)c1 8656857 VEMBJSDGTUDWSD-UHFFFAOYSA-N 415.497 3.104 0 40 HGAB O=Cc1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccccc2)C(c2ccccc2)=NN=3)cc1 8965006 OALPZFJPSSTQMB-JDCXBEBJSA-N 423.497 3.178 0 40 HGAB C[C@@]12C[C@@H](c3ccccc3O1)[C@H](S(=O)(=O)c1ccc(Br)cc1)C(=O)N2 9407625 FEAIIMRPTFULDF-ZVZYQTTQSA-N 422.300 3.004 0 40 HGAB COc1ccc(C2=NO[C@@H]3[C@@H]4C[C@@H]([C@H]5C(=O)N(C6CCCCC6)C(=O)[C@@H]45)[C@H]23)cc1OC 9450659 BMXXWZXOTWJMAA-KXYKCTRLSA-N 424.497 3.007 0 40 HGAB COc1ccc(OC)c(NC(=O)CSc2nnc3n2CCN3c2ccccc2)c1 9573910 WQHIYSOGDXTMDU-UHFFFAOYSA-N 411.487 3.178 0 40 HGAB COCCNC(=O)[C@@H]1CS[C@@H](c2ccc(Cl)cc2)N1C(=O)OC(C)(C)C 9601093 GQPNBWPYWUMGOS-HOCLYGCPSA-N 400.928 3.454 0 40 HGAB COc1ccc(-c2nn3cnnc3s2)cc1NC(=O)COc1cc(C)cc(C)c1 10119972 ZWLOMYSGIAJOQN-UHFFFAOYSA-N 409.471 3.496 0 40 HGAB COc1ccc(Cl)cc1N([C@@H](C)C(=O)NCc1cccc(C)c1)S(C)(=O)=O 10448235 XXSLJCNIBPGUDW-AWEZNQCLSA-N 410.923 3.128 0 40 HGAB CCOC(=O)c1c(NC(=O)CNc2ccccc2C(N)=O)sc2c1CC[C@H](C)C2 10842263 VBHCEELMMWWQTA-LBPRGKRZSA-N 415.515 3.199 0 40 HGAB COC(=O)c1sc(-c2ccccc2)cc1NC(=O)CN1C(=O)c2ccccc2C1=O 11612210 FUCPQAOKUXGIMQ-UHFFFAOYSA-N 420.446 3.436 0 40 HGAB Cc1cccc(Nc2ccc(N3CCN(C(=O)/C=C/c4ccccc4)CC3)nn2)n1 11697217 IPOMELOCBVMUEA-JLHYYAGUSA-N 400.486 3.286 0 40 HGAB COC(=O)c1c(NC(=O)c2nn(-c3cccc(C)c3)ccc2=O)sc2c1CCC2 12062540 LNUPYYWTWPPGIZ-UHFFFAOYSA-N 409.467 3.130 0 40 HGAB O=C1S[C@@H](Nc2cccc(Cl)c2)C(=O)N1CCN1C(=O)c2ccccc2C1=O 12136897 LLKSCZZQDMCGIZ-OAHLLOKOSA-N 415.858 3.070 0 40 HGAB COc1ccccc1CC(=O)N1CCC[C@@H](Cn2nc(-c3cccs3)ccc2=O)C1 12145181 OKSXDPNFJRRYKX-QGZVFWFLSA-N 423.538 3.462 0 40 HGAB CC(C)NC(=O)Cn1cc(CN2CCC[C@H](C(=O)N3CCCC3)C2)c2ccccc21 12241454 FJFFUEJYOPOVOI-IBGZPJMESA-N 410.562 3.000 0 40 HGAB COc1ccc(NC(=O)/C=C(\C)NC[C@H](c2cccs2)N2CCOCC2)cc1 12627568 RTBROLGFIMTADP-JRJUITNWSA-N 401.532 3.262 0 40 HGAB O=C(CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)Nc1ccc(-c2cn3ccsc3n2)cc1 12681555 HAPZZXOZCIPPCB-IAGOWNOFSA-N 420.494 3.343 0 40 HGAB NC(=O)c1cc(SCc2nc3sc4c(c3c(=O)[nH]2)CCC4)nc2ccccc12 12752692 OIONYYQLEXFPHW-UHFFFAOYSA-N 408.508 3.413 0 40 HGAB Cc1ccc(S(=O)(=O)Nc2ccccc2F)cc1C(=O)N1C[C@@H](C)O[C@H](C)C1 12755171 LITPLVCDTIKKFZ-HUUCEWRRSA-N 406.479 3.184 0 40 HGAB COc1cc(N2C[C@H](C(=O)NCCC3=CCCCC3)CC2=O)cc(OC)c1OC 12986230 NMRKEUPLBOPIMQ-MRXNPFEDSA-N 402.491 3.072 0 40 HGAB COc1cccc(NC(=O)[C@H](C)OC(=O)CCCNC(=O)c2ccc(Cl)cc2)c1 13000574 ACVXRZGBYCHEAE-AWEZNQCLSA-N 418.877 3.429 0 40 HGAB Cn1ccnc1SCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 13109755 TZUBEDZUYFGZIU-UHFFFAOYSA-N 400.426 3.006 0 40 HGAB Cc1nn2c(=O)cc(COc3cccc(NC(=O)c4ccccc4F)c3)nc2s1 13367842 BWUQQXKUZBHEHF-UHFFFAOYSA-N 410.430 3.430 0 40 HGAB CCN1CCN(C(=O)/C(=C/c2c[nH]c3ccccc23)NC(=O)c2ccccc2)CC1 13579462 DVAUHDNOCSENHE-JWGURIENSA-N 402.498 3.103 0 40 HGAB CCN(CC(=O)Nc1ccc(Cl)cc1)S(=O)(=O)c1cc(F)ccc1OC 13581176 CGDFTCQWUMZIIS-UHFFFAOYSA-N 400.859 3.137 0 40 HGAB Cn1c(CNC(=O)[C@H]2CCCO2)nc2cc(NC(=O)c3ccc(Cl)cc3)ccc21 13721246 HBXGKQRKFFXSER-GOSISDBHSA-N 412.877 3.274 0 40 HGAB Cc1ccc(-c2ccc(=O)n(CCCNC(=O)COc3cccc(Cl)c3)n2)cc1 13801415 AQAUMQQBUXBYOF-UHFFFAOYSA-N 411.889 3.457 0 40 HGAB Cc1cc(C(=O)O)cc(S(=O)(=O)Nc2cccc(Cl)c2N2CCOCC2)c1C 14097868 RFCVVICONKLKDS-UHFFFAOYSA-N 424.906 3.292 0 40 HGAB C[C@@]1(c2ccc3c(c2)CCC3)NC(=O)N(Cc2nc(-c3ccc(F)cc3)no2)C1=O 14164341 FVXRQPXAGCQPOG-QFIPXVFZSA-N 406.417 3.332 0 40 HGAB COc1ccc([C@@H]2CCCN2CN2C(=O)N[C@@]3(CCCC[C@@H]3C)C2=O)c(OC)c1 14182888 XVRDAHOIFCIAKM-LZFQIVBZSA-N 401.507 3.299 0 40 HGAB CNc1nc(SCC(=O)NCC(=O)Nc2c(C)cc(C)cc2C)nc2ccccc12 14196415 GHSCBYSDSQLXRR-UHFFFAOYSA-N 423.542 3.444 0 40 HGAB Cc1ccc(CS[C@H](C)C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 15490854 SGSFKGJXTOTDHR-GOSISDBHSA-N 418.584 3.150 0 40 HGAB COc1ccc(NS(=O)(=O)c2ccccc2)cc1NS(=O)(=O)c1ccccc1 16227084 DWDUVQKERPEJPE-UHFFFAOYSA-N 418.496 3.297 0 40 HGAB COc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)c1cccnc1Cl 16363508 KKHYATFCABBKKL-UHFFFAOYSA-N 400.851 3.471 0 40 HGAB Cc1sc2nc(SCC(=O)Nc3ccc(N(C)C)cc3)n(C)c(=O)c2c1C 16755683 FXGCBFAWJDPDBN-UHFFFAOYSA-N 402.545 3.409 0 40 HGAB O=C1[C@H]2CCCC[C@H]2C(=O)N1c1cnn(COc2ccc(Br)cc2)c1 18176652 RQVDEUQFIAEGHJ-IYBDPMFKSA-N 404.264 3.362 0 40 HGAB C[C@H](C(=O)NCCn1nc(-c2ccc(F)cc2)cc1-c1cccnc1)N1CCCC1 19080259 FMQQTYHXIOTQTN-QGZVFWFLSA-N 407.493 3.352 0 40 HGAB Cc1cc(-c2cnc(N3CCCC3)nc2C2CCN(Cc3cnn(C)c3C)CC2)on1 19123288 FZIBFXFGPDOUSU-UHFFFAOYSA-N 421.549 3.462 0 40 HGAB CN(C)S(=O)(=O)c1cccc(NC(=O)/C=C/c2cc(Cl)c3c(c2)OCCO3)c1 19166492 HZIPROKVCPOHFY-VOTSOKGWSA-N 422.890 3.013 0 40 HGAB COc1ncc(C2(O)[C@H]3CCC[C@@H]2CN(Cc2cccc4ncccc24)C3)c(OC)n1 19594749 LQEGXAUNZVLOES-QLCVBSLISA-N 420.513 3.162 0 40 HGAB COc1ccc(CCC(=O)N2CCO[C@H](c3ccc(-c4cncnc4)cn3)C2)cc1 19692535 ZLKWBBAQGFHTTJ-QFIPXVFZSA-N 404.470 3.080 0 40 HGAB CNc1nc([C@H]2CCCN(C)C2)nc2c1CCN(C(=O)CCCc1ccccc1)C2 19707911 AXIDJEVTPLQJAN-IBGZPJMESA-N 407.562 3.235 0 40 HGAB COC(=O)[C@H](N[C@@H]1C(C)=C(C)C(=O)N1Cc1ccc(OC)cc1)c1ccccc1OC 20058056 SQEYVWQLCGFYLQ-YADHBBJMSA-N 424.497 3.212 0 40 HGAB CC[C@@H](O)CNc1nc2sc3c(c2c(=O)n1-c1cccc(Cl)c1)CCN(C)C3 20547334 GPDLYNFZECKLBP-CQSZACIVSA-N 418.950 3.271 0 40 HGAB CCOc1ccc(CN(C)Cc2nc3sc(C(=O)OC)c(C)c3c(=O)[nH]2)cc1 21917514 YPIHSAKEKVCLOY-UHFFFAOYSA-N 401.488 3.110 0 40 HGAB Cc1cc2nc(C)c(CCC(=O)Nc3cccc(-c4nnnn4C4CC4)c3)c(C)n2n1 22144664 UXRVWQONGIZLBU-UHFFFAOYSA-N 416.489 3.214 0 40 HGAB C[C@@H](C(=O)Nc1sccc1C(N)=O)N1CCN(Cc2cccc3ccccc23)CC1 22785951 HOGZBYPAVBFBPP-INIZCTEOSA-N 422.554 3.145 0 40 HGAB Clc1ccc(-c2nnc(CN3CCN(Cc4ccc5c(c4)OCO5)CC3)o2)cc1 22918339 URTNVDNZQUKLEB-UHFFFAOYSA-N 412.877 3.437 0 40 HGAB CC1CCN(C(=O)CN2CCN(Cc3nc(-c4ccc(F)cc4)cs3)CC2)CC1 23145344 ZYYDKZQJQYCUAO-UHFFFAOYSA-N 416.566 3.325 0 40 HGAB Cc1ccc([C@H](c2sc3nc(C)nn3c2O)N2CCC3(CC2)OCCO3)cc1 23156874 YWVXNCKNALHETG-MRXNPFEDSA-N 400.504 3.042 0 40 HGAB O=S(=O)(c1ccc(NCc2ccccc2CN2CCCCC2)nc1)N1CCCC1 23818303 RJXSNZAUUIVFGT-UHFFFAOYSA-N 414.575 3.464 0 40 HGAB Cc1c(C)n(C[C@H](O)CN2C(=O)c3ccccc3S2(=O)=O)c2c(Cl)cccc12 28296777 ZRAGEMFDXHNXKG-AWEZNQCLSA-N 418.902 3.117 0 40 HGAB CCCCN1C(=O)c2ccc(C(=O)N3CCN(C)C[C@H]3c3ccccc3)cc2C1=O 30029280 PECGSWXFHHEWJX-NRFANRHFSA-N 405.498 3.212 0 40 HGAB CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1cccc(C(=O)N2CCCC2)c1 30479826 KRJMROWXCKNTTN-JOCHJYFZSA-N 418.497 3.090 0 40 HGAB NC(=O)[C@H]1CC(C(=O)N[C@@H](c2ccccc2)c2cccs2)=NN1c1ccccc1 30864639 ITVOPAFUQFGZTG-QUCCMNQESA-N 404.495 3.074 0 40 HGAB Cc1nn(-c2ncnc3[nH]cnc23)c2c1[C@@H](c1cccc(C(F)(F)F)c1)CC(=O)N2 31811635 VGKQBAKJTVCWQW-GFCCVEGCSA-N 413.363 3.340 0 40 HGAB COc1ccc(NC(=O)CCCN2C(=O)c3ccccc3N3C(=O)CC[C@@]23C)cc1 31872763 JWARTQPYNRBVGJ-QHCPKHFHSA-N 407.470 3.413 0 40 HGAB CCn1nnc(NC(=S)NC(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)n1 32126253 VJHWEUXZYJIIAU-UHFFFAOYSA-N 411.274 3.387 0 40 HGAB CCn1c(=O)[nH]c(=O)c2cc(C(=O)Nc3ccccc3SCC(F)(F)F)cnc21 32908442 DTUPRLROWVSDCG-UHFFFAOYSA-N 424.404 3.011 0 40 HGAB CCOC(=O)N1CCC(Nc2nc(-c3c[nH]c(C(=O)N4CCCC4)c3)cs2)CC1 32932963 OALMPDGNQKGAPL-UHFFFAOYSA-N 417.535 3.407 0 40 HGAB Cc1ccc(CNC(=O)c2cc(-c3cccs3)n([C@H]3CCS(=O)(=O)C3)n2)cc1 33325346 FYHOHGNJXBAGJU-INIZCTEOSA-N 415.540 3.210 0 40 HGAB COCCCNC(=O)c1ccc2c(=O)n(-c3cccc(C(F)(F)F)c3)cnc2c1 36356941 SREIOTOBNOGEDM-UHFFFAOYSA-N 405.376 3.171 0 40 HGAB COc1cc(/C=C/C(=O)N2CCC[C@@H](c3nnc4n3CCCCC4)C2)cc(OC)c1 36397902 SETPBMYGAMGCKR-QZEKMECESA-N 410.518 3.441 0 40 HGAB COc1ccc(-c2csc3c(=O)n(CC(=O)NCc4ccccc4)cnc23)cc1 38487050 ZYLOHJSXFIWVDI-UHFFFAOYSA-N 405.479 3.450 0 40 HGAB COc1ccc(OC)c(-n2cc(C(=O)O)c3c2[C@@H](c2cccc(O)c2)CC(=O)N3)c1 49543264 CAAZEFSCASHMMS-OAHLLOKOSA-N 408.410 3.372 0 40 HGAB biogenic COCCn1c(SCC(=O)Nc2ccc(C(C)=O)cc2)nc2ccsc2c1=O 57425818 OZLVYLAAKNEJHH-UHFFFAOYSA-N 417.512 3.038 0 40 HGAB CC(C)[C@H](c1nnnn1Cc1ccco1)N1CCN(c2cccc(Cl)c2)CC1 57671170 DUPRNXBIFIDXQG-LJQANCHMSA-N 400.914 3.487 0 40 HGAB COCCOc1ccc([C@@H](C)NC(=O)NCc2ccc([C@H](C)O)cc2)cc1OC 58214024 ACLYSZOEXWBVGH-CVEARBPZSA-N 402.491 3.334 0 40 HGAB CC(C)(C(=O)NC1CCN(c2ccc(C(F)(F)F)cn2)CC1)n1cc(Cl)cn1 58307192 YKGQVSQCGPBIAL-UHFFFAOYSA-N 415.847 3.471 0 40 HGAB CC[C@@](C)(CNC(=O)Nc1ccc(C(=O)Nc2nccs2)cc1)N1CCOCC1 58438406 DBKPEQXYKJIJBQ-FQEVSTJZSA-N 417.535 3.018 0 40 HGAB COc1ccccc1NC(=O)CN1CCCC[C@H]1C(=O)Nc1ccc2c(c1)CCO2 72293990 WDZDKJAFEWUFNL-IBGZPJMESA-N 409.486 3.062 0 40 HGAB Cc1ccnc(Cl)c1NC(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1 72300849 ZUNYACHMJFFDDB-ZIAGYGMSSA-N 423.922 3.094 0 40 HGAB COc1ccc(C)cc1C(=O)CCC(=O)N1CCC[C@@H](c2nn(C)c3nccnc23)C1 72393915 NIJLYRCURLTRPN-MRXNPFEDSA-N 421.501 3.049 0 40 HGAB O=C(NCc1cccnc1)[C@@H]1CCCN(c2cc(-n3ccc4ccccc43)ncn2)C1 96124055 BHQUEEBMNLPTOZ-HXUWFJFHSA-N 412.497 3.348 0 40 HGAB CN1CCN(C(=O)C[C@@H]2CC3(CCN(C(=O)c4ccco4)CC3)c3ccccc32)CC1 96242227 JFZPJVFLWZDVTO-LJQANCHMSA-N 421.541 3.105 0 40 HGAB CCc1cc(=O)oc2cc(C)cc(OCC(=O)NC[C@H]3CCCN4CCCC[C@H]34)c12 96343553 ZGEOFWSOSHNWQY-RTBURBONSA-N 412.530 3.423 0 40 HGAB CC(=O)N1CCc2nc3cc([C@H]4CCCCN4Cc4ccsc4)nn3c(O)c2C1 100243020 ALYSIIIQDDISDO-LJQANCHMSA-N 411.531 3.128 0 40 HGAB CCC[C@H]1CCc2c(sc(NC(=O)[C@@H]3[C@@H](C(=O)O)[C@H]4C=C[C@H]3C4)c2C(N)=O)C1 101698990 BEJPIHKVXGDYOT-IKUJJKIKSA-N 402.516 3.213 0 40 HGAB COc1ccc(OC)c([C@@H]2CCCN2CN2C(=O)N[C@]3(CCCC[C@@H]3C)C2=O)c1 102473273 ZZVAWRISCZFWDI-VPKVUBIPSA-N 401.507 3.299 0 40 HGAB CC[C@@H](NC(=O)[C@H]1CN(S(=O)(=O)CC)c2ccccc2O1)c1ccc(C)cc1C 218794846 XGCMXWDJZROYHI-WIYYLYMNSA-N 416.543 3.488 0 40 HGAB COc1ccc([C@H](C)NC(=O)c2ccc(C)c(N3CCCCS3(=O)=O)c2)cc1 222574548 VXBTZXYMGUCGTH-INIZCTEOSA-N 402.516 3.425 0 40 HGAB Cc1ccc(C(=O)NCCOCc2ccccc2)cc1S(=O)(=O)N1CCCCC1 224021514 ZZUULGRKKJAAKR-UHFFFAOYSA-N 416.543 3.116 0 40 HGAB Cc1nc2cc([C@H]3CCCN3C(=O)C3CC3)nn2c(C)c1CCC(=O)N1CCCCC1 257285366 PGTBEKPGFRVVPU-OAQYLSRUSA-N 423.561 3.365 0 40 HGAB COc1ccc(C2(C(=O)N3CCN(C)[C@@H](c4ccccc4OC)C3)CCOCC2)cc1 257298010 RJSVVXDDMVOKIC-JOCHJYFZSA-N 424.541 3.267 0 40 HGAB COC(=O)COc1c(Cl)cc(/C=C2\SC(=O)N(C)C2=O)cc1Br 408807604 DLBCYJPLIVJBSJ-YHYXMXQVSA-N 420.668 3.320 0 40 HGAB CCc1ccc(N2C(=O)/C(=C/c3ccc(OC)cc3)N(CC(=O)OC)C2=S)cc1 409061444 XCQWOQXVWPJDOI-UYRXBGFRSA-N 410.495 3.405 0 40 HGAB CCc1cccc(C)c1NC(=O)CNS(=O)(=O)c1ccc(Br)cc1 409124284 BAWZTDPPKHMRLU-UHFFFAOYSA-N 411.321 3.237 0 40 HGAB COCCN(C(=O)c1csc(-c2ccc(C(C)C)cc2)n1)[C@H]1CCS(=O)(=O)C1 521265486 DPJPSETYLMFODP-KRWDZBQOSA-N 422.572 3.209 0 40 HGAB O=C(C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)NCc1cccc(CO)n1 549716701 PNASFUPJSZHJEV-OAQYLSRUSA-N 423.900 3.405 0 40 HGAB O=C(CCCn1ccnc1)N1CCOCCOc2ccccc2Oc2ncccc2C1 643573428 DNERAXMYOZITLP-UHFFFAOYSA-N 422.485 3.288 0 40 HGAB CCS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1nc2ccccc2s1 2665175 NFJAXZDABROSEY-MRXNPFEDSA-N 401.513 3.011 0 40 HGAB aggregator CCOC(=O)[C@H](C)Oc1cccc2c(=O)n(CC(=O)Nc3cccc(F)c3)ccc12 2712292 XBDTWOPFONKJDO-AWEZNQCLSA-N 412.417 3.110 0 40 HGAB CCOC(=O)CSc1nc2cc(S(=O)(=O)Nc3ccc(OC)cc3)ccc2o1 3219966 KJDIDJCGGLXAIJ-UHFFFAOYSA-N 422.484 3.292 0 40 HGAB COc1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccccc2C(F)(F)F)cc1 3357921 NJHMZRVHYMOZDH-NSHDSACASA-N 402.394 3.020 0 40 HGAB CS(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)Nc2ccc(F)c(Cl)c2)c1 3384731 FBLVBDHMTNTWRW-UHFFFAOYSA-N 420.245 3.332 0 40 HGAB CN(C)S(=O)(=O)c1cc(C(=O)NCCCn2ccc3ccccc32)ccc1Cl 3425240 JGIPUNJSACZLDL-UHFFFAOYSA-N 419.934 3.365 0 40 HGAB aggregator CN1C(=O)N[C@@H](c2ccc(F)cc2)[C@H](C(=O)c2cccs2)[C@]1(O)C(F)(F)F 4162520 LWGIRDKQTGACFI-WWGRRREGSA-N 402.369 3.333 0 40 HGAB C[C@H]1CN(c2ccccn2)[C@H](C)CN1C(=O)C(O)(c1ccccc1)c1ccccc1 4721602 CXJFQPSXYKSEFJ-UXHICEINSA-N 401.510 3.443 0 40 HGAB COc1ccc2c(C)c(CCC(=O)NCc3ccc4c(c3)OCO4)c(=O)oc2c1C 4743540 AMIRQTULJVJQES-UHFFFAOYSA-N 409.438 3.396 0 40 HGAB CCOc1ccc(C(=O)Nc2cc(C(=O)OC)ccc2N2CCN(CC)CC2)cc1 4749092 HWMHVRWKKCZBTG-UHFFFAOYSA-N 411.502 3.266 0 40 HGAB CC(=O)NS(=O)(=O)c1ccc(NC(=O)CCSc2ccc(Cl)cc2)cc1 4815797 GNDZYEZDGYKLQD-UHFFFAOYSA-N 412.920 3.286 0 40 HGAB Cc1occc1-c1nnc(S[C@H](C)C(=O)Nc2ccc3c(c2)OCCO3)n1C 4947812 VQNBRGOIURXDHO-GFCCVEGCSA-N 400.460 3.274 0 40 HGAB CCOCCN1CCN(c2c3c(nc4cc(-c5cccc(C)c5)nn24)CCC3)CC1 4966858 QMBDMXQXBLKOIU-UHFFFAOYSA-N 405.546 3.352 0 40 HGAB Cn1c(SCCN2CCCC2)nnc1[C@@H]1CCCN1C(=O)NC1CCCCC1 5001591 URMJFPBBJRRFSF-KRWDZBQOSA-N 406.600 3.182 0 40 HGAB COc1cccc2c1OC1(CCN(C)CC1)N1N=C(c3ccc4c(c3)OCCO4)C[C@H]21 5093701 NXHGHQPICZLDGO-LJQANCHMSA-N 421.497 3.432 0 40 HGAB CC(C)(C)c1ccc(OCC(=O)N(Cc2ccco2)[C@H]2CCS(=O)(=O)C2)cc1 5252939 ILBOUTKBEPHPIN-KRWDZBQOSA-N 405.516 3.172 0 40 HGAB CCn1c(CN2CCCCCC2=O)nnc1SCC(=O)N[C@@H](C)c1ccccc1 5538580 YIHBAXVPHWJBJI-INIZCTEOSA-N 415.563 3.170 0 40 HGAB COC(=O)c1c(NC(=O)NCCc2ccc(OC)c(OC)c2)sc2c1CCC2 6754816 UHZNWCGZKGPMMK-UHFFFAOYSA-N 404.488 3.405 0 40 HGAB CCCN(CC(=O)Nc1ccccc1OC)S(=O)(=O)c1ccc2c(c1)CCC2 7246547 GLPAHRGHAYJKKJ-UHFFFAOYSA-N 402.516 3.223 0 40 HGAB O=C(Nc1ccccc1C(=O)NCc1cccnc1)c1ccc(N2CCOCC2)cc1 7505052 NTWKUSCQVSFUAB-UHFFFAOYSA-N 416.481 3.101 0 40 HGAB COc1cccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3cccc4ccccc34)C2)c1 8037675 HMHLBOGAJNVFHB-KRWDZBQOSA-N 418.449 3.383 0 40 HGAB O=C1CSCN1CC(=O)N(C/C=C/c1ccccc1)c1ccc2c(c1)OCCO2 8395136 LAPULNCGEHTEQM-QPJJXVBHSA-N 410.495 3.037 0 40 HGAB Cc1cccc(-n2ccnc2SCC(=O)Nc2ccc(-n3cnnn3)cc2)c1C 8746017 OJLGVVRXHVZWNM-UHFFFAOYSA-N 405.487 3.196 0 40 HGAB CCCN1C(=O)CCc2cc(NS(=O)(=O)CCc3ccc(OC)cc3)ccc21 8840621 APPFDIFZYIMHTI-UHFFFAOYSA-N 402.516 3.369 0 40 HGAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)C2CCN(Cc3ccccc3C)CC2)c1 9062952 QYKIPXKOEYWALF-UHFFFAOYSA-N 424.497 3.419 0 40 HGAB O=C(CCNS(=O)(=O)c1ccc(Cl)cc1)Nc1ccc(CN2CCCC2)cc1 9364451 PALMONYDRIFXLY-UHFFFAOYSA-N 421.950 3.243 0 40 HGAB C[C@H](C(=O)N1CCN(c2ccccc2)CC1)N(C)Cc1cnn(Cc2ccccc2)c1 9546743 YPVCUPBTNNHGBJ-OAQYLSRUSA-N 417.557 3.101 0 40 HGAB CCOC(=O)c1cc(CC)sc1NC(=O)CNc1ccccc1C(=O)NC1CC1 9913419 NHYCUMFGIZPDED-UHFFFAOYSA-N 415.515 3.430 0 40 HGAB COC(=O)c1ccc(NC(=O)c2cc(=O)c(OCc3cccc(OC)c3)co2)cc1 11963251 NIQBIILHZSDRCO-UHFFFAOYSA-N 409.394 3.266 0 40 HGAB Cc1cc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)c(Cl)c2)no1 12029077 VVAAZBFGXKUGBF-ZDUSSCGKSA-N 404.275 3.082 0 40 HGAB CC(C)(C)C1=NN(CC(=O)N2CCSCC2)C(=O)c2cc3sccc3n2C1 12145894 DYQWOYYTZDHARC-UHFFFAOYSA-N 404.561 3.136 0 40 HGAB Cc1ccc(-n2ncc3c(C)nn(CC(=O)Nc4ccc(F)cc4F)c(=O)c32)c(C)c1 12228651 VBVHYYDIYUQUCF-UHFFFAOYSA-N 423.423 3.424 0 40 HGAB COc1cc2cc(N)c(C3CCN(C(=O)Cc4ccncc4)CC3)nc2cc1OC 12230814 HVFVVXHBKPZFIC-UHFFFAOYSA-N 406.486 3.178 0 40 HGAB O=C(Nc1nncs1)c1ccc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1 12741093 BYKYNQXXUFEDCR-UHFFFAOYSA-N 412.855 3.384 0 40 HGAB CN1C(=O)c2ccc(NC(=O)NCc3ccc(NC(=O)c4ccco4)cc3)cc2C1=O 12776027 OWYQJMXUCLAETR-UHFFFAOYSA-N 418.409 3.079 0 40 HGAB COC(=O)c1cccc(NC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)c1 12789505 RFANOEQJVGZRTH-UHFFFAOYSA-N 411.483 3.221 0 40 HGAB CC(=O)NC12C[C@H]3C[C@@H](C1)CC(C(=O)O[C@H](C)C(=O)Nc1ccc(Cl)cn1)(C3)C2 12795078 BMPGJLMZQCBWMU-OGHMMVPNSA-N 419.909 3.080 0 40 HGAB Cc1ccc(CCC2CCN(S(=O)(=O)c3ccccc3S(C)(=O)=O)CC2)cc1 12810526 JRPZMPUPBULICT-UHFFFAOYSA-N 421.584 3.432 0 40 HGAB CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)COc1cccc(C(C)(C)C)c1 12865076 MIBZXCUADXBOEJ-UHFFFAOYSA-N 416.543 3.203 0 40 HGAB CCCN(CC(=O)Nc1ccc(OC)cc1OC)S(=O)(=O)c1ccc(C)cc1 12930258 ACEPLXAVIRYTDW-UHFFFAOYSA-N 406.504 3.052 0 40 HGAB CCOc1cc2c(cc1NC(=O)c1ccc(Cl)c(S(=O)(=O)NC)c1)O[C@@H](C)C2 12939428 NIJDQNXSEZLQSV-NSHDSACASA-N 424.906 3.223 0 40 HGAB COc1ccc(F)cc1C(=O)CN1C(=O)N[C@@](C)(c2ccc(OC(F)F)cc2)C1=O 13121492 HZZJMLUHECZXDU-FQEVSTJZSA-N 422.359 3.086 0 40 HGAB COc1ccccc1/C=c1\sc2nc(-c3ccccc3Br)nn2c1=O 13748228 JMDRHDNGMINCNM-GDNBJRDFSA-N 414.284 3.137 0 40 HGAB COc1ccc(CC(=O)Nc2ccc(Cl)c(N3CCCS3(=O)=O)c2)cc1OC 15864808 RGOSEPKTHWBKGQ-UHFFFAOYSA-N 424.906 3.078 0 40 HGAB COc1ccc(OC)c([C@H]2CCCN2C(=O)Cn2cnc3c(C)cccc3c2=O)c1 16260898 SDTJLDBHDGZFQR-LJQANCHMSA-N 407.470 3.086 0 40 HGAB CCOC(=O)N1CCN([C@@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 16478359 NRIUTMVGOFBZMS-NSHDSACASA-N 407.820 3.460 0 40 HGAB Cc1cc(C)nc(-n2[nH]c3[nH]c(CSc4ccc(Cl)cc4)cc(=O)c3c2=O)n1 18029748 ZTWGSXRPCZRHAT-UHFFFAOYSA-N 413.890 3.360 0 40 HGAB Cc1nc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)Cc2ccc(F)cc2)cc(=O)[nH]1 19240986 JYFSLOZFHHPGLN-HXUWFJFHSA-N 404.445 3.341 0 40 HGAB NC(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CCN(C(=O)c2cccc(F)c2)C1 19348437 NYYJYYXQQPOYAJ-XMMPIXPASA-N 403.457 3.448 0 40 HGAB COc1cc(C(=O)N2CCO[C@H](c3cc4ccccc4cn3)C2)cc(OC)c1OC 19549564 CBTFGMJZAWOJHD-NRFANRHFSA-N 408.454 3.474 0 40 HGAB COc1ccc2c(c1)OC1(CCN(C[C@H](O)c3ccc(F)c(F)c3)CC1)C[C@@H]2O 19563023 BAGWHZIHWFDRKW-PMACEKPBSA-N 405.441 3.358 0 40 HGAB COc1ccc([C@H](CN(C)C(=O)Cc2ccc3c(c2)CCC3)N2CCOCC2)cc1 19585959 LXSULZWOJYOFGS-DEOSSOPVSA-N 408.542 3.258 0 40 HGAB Cc1nccn1C[C@H](C)C(=O)N1CCC(c2ccc(-c3ccc(N)nc3)cn2)CC1 19689090 XKGAPHJVZSQXBR-INIZCTEOSA-N 404.518 3.273 0 40 HGAB CCN(CC(=O)N[C@H](C)c1ccccc1)S(=O)(=O)c1ccc(OC)c(Cl)c1 19930076 PRXOFPPFGKBEQQ-CQSZACIVSA-N 410.923 3.237 0 40 HGAB COc1ccc(C)cc1S(=O)(=O)N1CCC(C(=O)Nc2cc(F)ccc2F)CC1 20016713 OVSKECXOSKNXBH-UHFFFAOYSA-N 424.469 3.321 0 40 HGAB CC(=O)Nc1ccc(NC(=O)COCc2cc(-c3ccc4c(c3)OCO4)on2)cc1 20310012 HBFRFWKTYVAIOF-UHFFFAOYSA-N 409.398 3.184 0 40 HGAB CC(=O)c1cccc(N(CC(=O)N[C@H](C)c2ccc(C)cc2C)S(C)(=O)=O)c1 20458195 ZDHSMNFREHFMRQ-MRXNPFEDSA-N 402.516 3.149 0 40 HGAB CCOc1ccc(CNC(=O)CN(c2ccccc2C(C)C)S(C)(=O)=O)cc1 22396030 UHSMYGOSAXXPJA-UHFFFAOYSA-N 404.532 3.291 0 40 HGAB C[C@H](Oc1coc(CN2CCN(C(=O)c3ccco3)CC2)cc1=O)c1ccccc1 22852824 DUYVAOFJICIYIK-KRWDZBQOSA-N 408.454 3.331 0 40 HGAB COc1ccc([C@H](CC(=O)OC(C)C)NC(=O)c2cc3ccccc3c(=O)[nH]2)cc1 23007829 IPLALFNRJSBLEH-IBGZPJMESA-N 408.454 3.350 0 40 HGAB O=S1(=O)CC[C@@H](N(Cc2ccccc2)Cc2nc(O)c3ccc(Cl)cc3n2)C1 24294137 GIEHWXKMEMYVSC-MRXNPFEDSA-N 417.918 3.178 0 40 HGAB CS(=O)(=O)N1CCCN(C(=O)c2ccccc2OCc2ccc(Cl)cc2)CC1 24777350 OTOUCMZLZLLDCS-UHFFFAOYSA-N 422.934 3.027 0 40 HGAB CC(C)c1ccc(CN(C(=O)C2CCN([C@@H]3CCS(=O)(=O)C3)CC2)C2CC2)cc1 25052925 LOXGOXVDOZUNIH-JOCHJYFZSA-N 418.603 3.200 0 40 HGAB COCCNC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccc(Br)cc1 25165691 OWYUBVDJBLISOX-CYBMUJFWSA-N 421.291 3.231 0 40 HGAB O=C(Cn1nc(C(F)(F)F)c(Br)c1C1CC1)NCc1ccccn1 27937180 TYHXMXDGRYBISK-UHFFFAOYSA-N 403.202 3.253 0 40 HGAB O=C1CCC(=O)N1CCC(=O)N(C/C=C/c1ccccc1)c1ccc2c(c1)OCCO2 29765778 LBCWSINDZWYBDY-QPJJXVBHSA-N 420.465 3.043 0 40 HGAB CS(=O)(=O)Nc1cccc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)c1 29797868 DFDMCVKDPZOERI-GOSISDBHSA-N 416.499 3.197 0 40 HGAB CC(C)(C(=O)N1CCN(C(=O)c2cncc(Br)c2)CC1)c1ccccc1 31244694 KNAHMXIDNHGRSW-UHFFFAOYSA-N 416.319 3.106 0 40 HGAB O=C(OCc1cc(Cl)c2c(c1)OCCCO2)[C@H]1CCCCN1c1ncccn1 31272583 WJQXZNJGRXRLDH-MRXNPFEDSA-N 403.866 3.394 0 40 HGAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CCCc1nc(-c2cccs2)no1 32488454 IBRPEJFONQOYOD-UHFFFAOYSA-N 409.471 3.016 0 40 HGAB O=C(c1cn(-c2ccccc2C(F)(F)F)nn1)N1CCN(c2ccc(F)cc2)CC1 32816893 FOJRYCIUYFBRGR-UHFFFAOYSA-N 419.382 3.388 0 40 HGAB Cc1cccc(OCC(=O)N2CCN(CC(=O)Nc3ccccc3Cl)CC2)c1C 36448949 ZOQICRHHDOXKAR-UHFFFAOYSA-N 415.921 3.119 0 40 HGAB O=S(=O)(NCCCCN1CCO[C@H](c2ccccc2)C1)c1ccc(F)cc1F 36700410 HREACJLTMVSBDG-IBGZPJMESA-N 410.486 3.097 0 40 HGAB CCN(CC(=O)NCc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1 39985147 ULWOOZZMZSTJQI-UHFFFAOYSA-N 401.315 3.320 0 40 HGAB CCC(CC)[C@H](CNC(=O)Cc1c(F)c(F)c(F)c(F)c1F)N1CCOCC1 40087042 VSRCOOVRSWKURU-ZDUSSCGKSA-N 408.411 3.178 0 40 HGAB C[C@H]1CCCCN1Cc1ccccc1CNC(=O)CCN1C(=O)c2ccccc2C1=O 40112332 KZDQYZPXIFGDPV-SFHVURJKSA-N 419.525 3.364 0 40 HGAB COc1ccc([C@@H]2CC(O)=Nc3c2ncn3-c2ccccc2F)cc1OCC(N)=O 40285660 QEQHKIOYBMUSDY-ZDUSSCGKSA-N 410.405 3.008 0 40 HGAB Cn1c(SCC(=O)NC[C@H]2COc3ccccc3O2)nc2cc(Cl)ccc21 44049199 WQIIFCMKENEYCX-ZDUSSCGKSA-N 403.891 3.275 0 40 HGAB COC(=O)c1cccc2c3c([nH]c12)CCN(C(=O)c1ccc(C)c(NC(C)=O)c1)C3 47090490 RKJWHIKYRKFWHY-UHFFFAOYSA-N 405.454 3.420 0 40 HGAB Cn1c(SCC(=O)Nc2ccnn2Cc2cccc(Cl)c2)nnc1C1CC1 48325235 OTCMWIXMJNNOFQ-UHFFFAOYSA-N 402.911 3.322 0 40 HGAB COC(=O)C1=CO[C@H](C)[C@@H]2CN3CCc4c([nH]c5cc(OC)c(OC)cc45)[C@@H]3C[C@H]12 59796447 FGWJRZQNNZVCHR-AGLNLLDASA-N 412.486 3.196 0 40 HGAB biogenic CSc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(F)cc3)CC2)cc1 64596723 NUKMGKFZHNSGGX-UHFFFAOYSA-N 422.547 3.265 0 40 HGAB COc1ccc(-c2nnc(Cc3nc(-c4ccc5c(c4)OCO5)no3)o2)cc1OC 65185527 DBLSHRKENJQIBU-UHFFFAOYSA-N 408.370 3.123 0 40 HGAB COc1ccc(C)cc1-n1ccc(/C(O)=N/S(=O)(=O)c2ccc3c(c2)CCC3)n1 65485031 WEBSDADLZFIHGO-UHFFFAOYSA-N 411.483 3.372 0 40 HGAB C[C@H](C(=O)Nc1cccc(NC(=O)NC[C@@H]2Cc3ccccc3O2)c1)n1cccn1 65627155 PSVAFGSUXVEVHH-BEFAXECRSA-N 405.458 3.208 0 40 HGAB COc1cccc(-c2cn(C)c3c(=O)n(CC(=O)Nc4ccc(F)cc4)cnc23)c1 67235514 FCPHMWBANILIBR-UHFFFAOYSA-N 406.417 3.188 0 40 HGAB CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2cccnc2)n2nc(CCCO)nc2N1 69530000 FKBQZGVQNWZVGF-IBGZPJMESA-N 424.892 3.179 0 40 HGAB COc1cccc(NC(=O)[C@@H](C)NC(=O)N2CCN(c3cccc(Cl)c3)CC2)c1 71333740 KMADNWCMDXDBSE-OAHLLOKOSA-N 416.909 3.207 0 40 HGAB Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H]1c1ccc(Nc2ccc(F)cn2)cn1 72353178 PSIGJTHBNGCAAO-QGZVFWFLSA-N 417.466 3.490 0 40 HGAB C[C@H]1CN(CCCCNC(=O)C2(c3ccc(Br)cc3)CC2)C[C@H](C)O1 79050763 KKBNLXVHYOBVHM-HOTGVXAUSA-N 409.368 3.486 0 40 HGAB CN(C)C(=O)Sc1ccc(NC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)cc1 83844140 BLCQOLJQRPZVCN-ZOBUZTSGSA-N 422.576 3.125 0 40 HGAB Cc1ccc(-n2ncc(C(=O)N3CCC(OCCCO)CC3)c2C(F)(F)F)cc1 84174812 JIXYIWGBXSWBKA-UHFFFAOYSA-N 411.424 3.203 0 40 HGAB Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)Nc3cncc4nncn34)cc12 89568270 QOGHSXNRJCGKCJ-UHFFFAOYSA-N 407.434 3.284 0 40 HGAB COc1ccc([C@H](NC(=O)CN2CCC(c3nncn3C3CC3)CC2)C(C)C)cc1 89801712 QJDGVMHJEHMKJV-JOCHJYFZSA-N 411.550 3.315 0 40 HGAB C[C@@H](COc1ccc(F)cc1)NC(=O)c1cccc(-c2cnc3[nH]c(=O)n(C)c3c2)c1 95945831 BOMNEHSDVARNQB-AWEZNQCLSA-N 420.444 3.265 0 40 HGAB COC(=O)C[C@H](c1ccc(OC)cc1)c1c(O)nc2ccc(C(F)(F)F)cn2c1=O 96117650 ZTTVOSQRPTTZFB-CQSZACIVSA-N 422.359 3.123 0 40 HGAB Cc1nc(-c2cc(C(=O)NCc3ccncc3)c3ccccn23)cn1-c1ncccn1 96266834 AVGCPTZGOCYIIQ-UHFFFAOYSA-N 409.453 3.215 0 40 HGAB COc1ccc(-c2noc(CN3CCN(c4ccc(C(F)(F)F)cn4)CC3)n2)cc1 96845426 QHGCYOUNYLPJLR-UHFFFAOYSA-N 419.407 3.481 0 40 HGAB COc1ccc(N(CC(=O)N[C@@H]2C[C@@H]3CC[C@@H]2C3)S(=O)(=O)c2ccccc2)cc1 100061873 CRPLTPRJDHJNHY-CBGDNZLLSA-N 414.527 3.195 0 40 HGAB O=C(NCCCN1CCCC1)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl 216258167 HQJUOPYZLXKUIM-UHFFFAOYSA-N 421.950 3.357 0 40 HGAB CN(C)S(=O)(=O)N(CC(=O)Nc1ccc2ccccc2c1)c1ccccc1F 216262095 SVFMJFJPFYHTOI-UHFFFAOYSA-N 401.463 3.230 0 40 HGAB CC[C@H](NC(=O)c1ccc(C)c(N(C)S(C)(=O)=O)c1)c1ccc(OC)c(OC)c1 222465259 PPWHPUDAMRJGNI-KRWDZBQOSA-N 420.531 3.289 0 40 HGAB CN(C)CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1Cc1cccnc1 223218762 SXXBELILSLTARD-FCHUYYIVSA-N 420.586 3.251 0 40 HGAB Cc1ccc(OCCNC(=O)c2ccc(C)c(S(=O)(=O)N3CCCC3)c2)cc1C 224023783 NKRAEYXZEAYQPF-UHFFFAOYSA-N 416.543 3.205 0 40 HGAB Cc1ccc(CS(=O)(=O)N2CCC(C(=O)NC[C@@H](C)c3ccccc3)CC2)cc1 224351445 NOUXYUXXKXMOLK-LJQANCHMSA-N 414.571 3.457 0 40 HGAB C[C@H](C(=O)NC(C)(C)Cc1ccccc1)N(c1ccc(F)c(F)c1)S(C)(=O)=O 225818533 ZPUBPODUTMRLNO-CQSZACIVSA-N 410.486 3.257 0 40 HGAB O=C(c1ccc(OC2CCCC2)nc1)N1CC(n2cc(COc3ccccc3)nn2)C1 238848462 IWUBLSXQCJFITC-UHFFFAOYSA-N 419.485 3.271 0 40 HGAB COc1cccc([C@@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)NC[C@H]4CCCO4)c3N2)c1 245232377 URNPSFADKPRTEG-HYVNUMGLSA-N 424.423 3.461 0 40 HGAB Cc1nc([C@@H]2CCN(C(=O)C(C)C)C2)nc(C)c1CC(=O)NCc1ccc(F)cc1 257219436 DGTNNGXXWKLVMF-GOSISDBHSA-N 412.509 3.063 0 40 HGAB O=C1CCCN1CC(=O)N1CCC[C@H](c2ncc(Cc3ccc(Cl)cc3)o2)C1 257256395 KLHULQJTFFIPSS-INIZCTEOSA-N 401.894 3.247 0 40 HGAB CCc1ccc(CN2CCO[C@@](COc3cccc(Cl)c3)(CC(N)=O)C2)cc1 257297682 RILYKCJFIDUNPH-QFIPXVFZSA-N 402.922 3.428 0 40 HGAB COC(=O)c1ccc(S(=O)(=O)NC[C@H](c2csc3ccccc23)N(C)C)cc1 575618746 CBCRWYWSEYWYPG-GOSISDBHSA-N 418.540 3.269 0 40 HGAB O=C1C[C@H](c2cccc(Br)c2)c2c(O)nc(N3CCCCC3)nc2N1 585655800 PVBHHPOBLCRQQS-CYBMUJFWSA-N 403.280 3.409 0 40 HGAB Cc1cc(C(=O)N2CCC[C@]3(CCCCc4ccccc4OCCNC3=O)C2)on1 643560076 JTRJIYBAXFJJOK-HSZRJFAPSA-N 411.502 3.127 0 40 HGAB Cn1nc(C(=O)N2CCC(COc3cc4c(nn3)CCCC4)CC2)c2ccccc21 1565523284 KWUBUVPRUJLZFI-UHFFFAOYSA-N 405.502 3.173 0 40 HGAB O=C1[C@H]2C3c4ccccc4C(C(=O)O)(c4ccccc43)[C@H]2C(=O)N1c1ccccc1F 849906 KFEXLDHFIBTCOI-YRSZXAOTSA-N 413.404 3.461 0 40 HGAB CCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)on3)cc2)cc1 949262 FZEDKXOPWINMGL-UHFFFAOYSA-N 401.444 3.435 0 40 HGAB CC[C@H](C)OC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(Br)c(O)c(OC)c1 1060171 LHCZJURZWCADTN-RTHLEPHNSA-N 413.268 3.133 0 40 HGAB CC(=O)Nc1ccc(NC(=O)[C@@H]2CCCN2C(=O)Nc2cccc(C(C)=O)c2)cc1 1343693 JDRYTWJTICSUTL-FQEVSTJZSA-N 408.458 3.483 0 40 HGAB CC(C)[C@@H]1Oc2ccccc2N(CC(=O)N(Cc2ccccn2)C[C@H]2CCCO2)C1=O 1362008 OJBCVHZSJPBIOD-XXBNENTESA-N 423.513 3.039 0 40 HGAB CCCCNC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(OC)cc1 2065788 UKYMWRCRKDXFSQ-UHFFFAOYSA-N 410.923 3.460 0 40 HGAB COc1ccc(Cc2nnc(NC(=O)c3ccc(OC)c(OC)c3)s2)cc1OC 2605462 URNMIZANNMUFSV-UHFFFAOYSA-N 415.471 3.416 0 40 HGAB biogenic CCOc1ccc(C(=O)N(Cc2ccc(CC)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 4183164 WMSHLYWXQWIJDO-HXUWFJFHSA-N 401.528 3.477 0 40 HGAB COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)C)N3CCCCCC3)cc2c1 4212469 VXEJCCBABJQPSF-IBGZPJMESA-N 410.522 3.244 0 40 HGAB COc1ccc(NC(=O)N(CCN(C)C)Cc2cc3cc(C)ccc3[nH]c2=O)cc1 4231337 KNWSWENARCJNOF-UHFFFAOYSA-N 408.502 3.441 0 40 HGAB O=S(=O)(NCc1ccco1)c1cccc(NC(=S)NCc2ccccc2)c1 4867441 OMFCXRGHQZCPGG-UHFFFAOYSA-N 401.513 3.245 0 40 HGAB COc1cc(CNc2cccc(-c3nc4ncccc4o3)c2)ccc1OCC(N)=O 4973788 UNEYJCRUEOSGSD-UHFFFAOYSA-N 404.426 3.375 0 40 HGAB N=c1c2c(ncn1CCCN1CCOCC1)Oc1cc(O)ccc1[C@H]2c1ccccc1 5219255 QRNMKPDJCRZKOT-OAQYLSRUSA-N 418.497 3.076 0 40 HGAB Cc1c(C(=O)O[C@@H](C)C(=O)Nc2ccccc2F)sc2nc3n(c(=O)c12)CCC3 5246746 PGZSCJQCVHNKDB-NSHDSACASA-N 415.446 3.036 0 40 HGAB CCc1nn2c(=O)cc(COC(=O)c3c4c(nc5ccccc35)CCC4)nc2s1 5297820 KXBUFCJJFWQDCT-UHFFFAOYSA-N 406.467 3.107 0 40 HGAB C[C@H](CCc1ccccc1)NC(=O)C(=O)Nc1c2c(nn1C(C)(C)C)CSC2 5438289 VTFMVBCPFSBECZ-CQSZACIVSA-N 400.548 3.461 0 40 HGAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2cccc(NC(C)=O)c2)c1C 5989876 KVZVLVLYSQCRNN-CYBMUJFWSA-N 400.431 3.195 0 40 HGAB COc1ccc(OC)c(COc2ccc([C@H]3N[C@@H](C(=O)O)CS3)cc2OC)c1 6230076 POBPVKYBYXQROA-BEFAXECRSA-N 405.472 3.080 0 40 HGAB COC(=O)c1c(C)[nH]c(C(=O)OCC(=O)Nc2ccc(OC(F)(F)F)cc2)c1C 6552244 PLJOKNIRDDIYTH-UHFFFAOYSA-N 414.336 3.112 0 40 HGAB CC[C@H](NC(=O)COc1ccc(-n2cnnn2)cc1)c1ccc(Br)cc1 6610131 LLBCNFQDEGNCFZ-KRWDZBQOSA-N 416.279 3.071 0 40 HGAB C[C@@H](Oc1ccc2ccc(=O)oc2c1)C(=O)NC1CCN(Cc2ccccc2)CC1 6659874 DGSXCBZLHHKNJU-QGZVFWFLSA-N 406.482 3.341 0 40 HGAB biogenic COc1ccc(-c2nnc(SCCOc3cc(C)ccc3C)n2N)cc1OC 7061810 JCTHIBCKRGKRPN-UHFFFAOYSA-N 400.504 3.464 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(C)c(C)c3)C2)cc1 7070503 XPGWYONXRJPACA-KRWDZBQOSA-N 402.516 3.351 0 40 HGAB CC[C@@H](c1nnc(SCC(=O)NCC(F)(F)F)n1Cc1ccccc1)N(C)C 7158869 HJDHLCWGDXUFQP-AWEZNQCLSA-N 415.485 3.110 0 40 HGAB COc1ccccc1CCNC(=O)CN(C)CCOc1ccc(Br)cc1 7727400 UMBAXGQQAWVPQH-UHFFFAOYSA-N 421.335 3.127 0 40 HGAB O=C(CCNC(=O)c1ccco1)N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1 7738345 SQMLBRZEBOJXMP-IBGZPJMESA-N 402.454 3.376 0 40 HGAB CN(C)C(=O)CSc1ccccc1C(=O)OCC(=O)NCCC1=CCCCC1 7938845 SCTBVBHSORONOG-UHFFFAOYSA-N 404.532 3.030 0 40 HGAB COc1ccc(OC)c(NC(=O)COC(=O)CCC(=O)Nc2ccccc2Cl)c1 8413822 KKDWFEDKVSLADL-UHFFFAOYSA-N 420.849 3.258 0 40 HGAB CCC(=O)N1CCCc2cc(NS(=O)(=O)c3ccc(OC)c(OC)c3)ccc21 8768718 RJZKSIYDHLMUDQ-UHFFFAOYSA-N 404.488 3.194 0 40 HGAB O=C(c1ccco1)N1CCc2ccc(NS(=O)(=O)c3ccccc3F)cc2C1 8977157 QUUGTLAWXGXZDO-UHFFFAOYSA-N 400.431 3.418 0 40 HGAB C[C@H](NC(=O)CSc1nnc(-c2cccnc2)n1C1CC1)c1ccc2c(c1)OCO2 9365879 BVKLYBBESZWECB-ZDUSSCGKSA-N 423.498 3.373 0 40 HGAB COC(=O)c1cc(OC(=O)c2cc(OC)ccc2Br)cc(C(=O)OC)c1 9398409 DUHXOIMENQMGMR-UHFFFAOYSA-N 423.215 3.250 0 40 HGAB Cc1ccc(NC(=O)COC(=O)c2cccs2)cc1S(=O)(=O)N1CCCCC1 9438667 MNOPJCNLSWUOPT-UHFFFAOYSA-N 422.528 3.027 0 40 HGAB COc1ccc(C2(c3ccc(OC)cc3)NC(=O)N(CN3CCC[C@H](C)C3)C2=O)cc1 9548355 DTYUTCDKOWPFQW-KRWDZBQOSA-N 423.513 3.189 0 40 HGAB O=C(Cn1nc(-c2ccccc2)oc1=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 9885212 PMLHQNOPFOOLLQ-SFHVURJKSA-N 421.453 3.028 0 40 HGAB CC[C@@H](Oc1ccccc1)C(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 10214819 BKHPXLOZIVOWJU-LJQANCHMSA-N 410.470 3.450 0 40 HGAB CC(=O)c1c(SCC(=O)Nc2ccc(Br)c(C)c2)nc(=O)[nH]c1C 10913840 GLFSIFBTYPVJHZ-UHFFFAOYSA-N 410.293 3.083 0 40 HGAB COc1ccccc1/C=C/C=c1\sc2nc(-c3ccc(OC)c(OC)c3)nn2c1=O 13749073 TXUNEOAPGSWZIV-YZFGBBDKSA-N 421.478 3.057 0 40 HGAB C[C@H](NC(=O)CCc1nc(-c2ccc(F)cc2)no1)c1ccc(-n2cncn2)cc1 14200250 YLSAXLTWJTZLFC-AWEZNQCLSA-N 406.421 3.266 0 40 HGAB O=C(NC[C@@H](c1ccco1)N1CCCC1)c1cc(-c2ccc3c(c2)OCCO3)on1 15859676 TZPRWENEJMQZKP-KRWDZBQOSA-N 409.442 3.273 0 40 HGAB CCOc1ccc(C(=O)NCC(=O)OCc2cc(Br)ccc2OC)cc1 18351976 CWANAULENWFFPS-UHFFFAOYSA-N 422.275 3.330 0 40 HGAB CNC(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)CN(Cc2cccc(C)n2)CCO1 19236296 KSIRDUDIOPPLRW-VWLOTQADSA-N 416.525 3.012 0 40 HGAB CN(C)C(=O)[C@]1(Cc2cccc(-c3cccs3)c2)CCN(C(=O)c2ccn(C)n2)C1 19290863 ATRUOINQNQVDEK-QHCPKHFHSA-N 422.554 3.312 0 40 HGAB CCC(=O)Nc1ccc([C@@H](O)CN2CCC3(CC2)C[C@H](O)c2ccccc2O3)cc1 19499337 JXOWJKPNXFLDAC-SFTDATJTSA-N 410.514 3.419 0 40 HGAB CCC[C@]1(C(=O)OC)N[C@H](c2cccs2)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]21 19502075 GDKMBQIZOMERJG-WCLQXYBISA-N 416.474 3.049 0 40 HGAB CNc1nc([C@@H]2CCCN2C(=O)C(C)(C)c2cccc(F)c2)nc2c1CCN(C)C2 19707116 INIQTZJZWDYNGA-IBGZPJMESA-N 411.525 3.287 0 40 HGAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cc(F)ccc2C)cc1Cl 20015316 CXJFVJQWENWHAH-UHFFFAOYSA-N 414.886 3.445 0 40 HGAB Nc1nc(N2CCCCC2)nc2c1[C@@H](C(=O)Nc1cccc3ccccc13)CC(=O)N2 20635707 QRDAILIWHBPQEN-INIZCTEOSA-N 416.485 3.267 0 40 HGAB CCOC(=O)C1CCN(CC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)CC1 20808666 CTMZDFGELUKHRG-UHFFFAOYSA-N 404.894 3.491 0 40 HGAB CCOc1cc([C@@H]2c3c(-c4cc(C)ccc4O)n[nH]c3C(=O)N2CCOC)ccc1O 21782764 BSYQTBCFEQPUEK-JOCHJYFZSA-N 423.469 3.387 0 40 HGAB CCCCOCCCNC(=O)c1cccc(S(=O)(=O)NCc2cccs2)c1 21900596 YCPCTEYFVXZTNN-UHFFFAOYSA-N 410.561 3.163 0 40 HGAB CN(c1ccc(OCC(=O)NCc2ccc(Cl)cc2Cl)cc1)S(C)(=O)=O 22230432 KNIRDIJWSYQGSL-UHFFFAOYSA-N 417.314 3.084 0 40 HGAB COc1cccc(CCC(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)c1OC 22390485 XVPCCFMRPBLPJT-UHFFFAOYSA-N 420.512 3.288 0 40 HGAB Cc1ccccc1OC[C@@H](C)NC(=O)CN(c1ccccc1C(C)C)S(C)(=O)=O 22425705 KKCRHOLJFOSYES-GOSISDBHSA-N 418.559 3.468 0 40 HGAB COc1ccc(C)cc1NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1 24613022 PXVCMBHOHZXMQK-UHFFFAOYSA-N 420.506 3.323 0 40 HGAB CC(=O)N1CCN(Cc2nc(O)c3sc(-c4ccc(Cl)cc4)cc3n2)CC1 25573175 JHSCNEZGUWZUKZ-UHFFFAOYSA-N 402.907 3.381 0 40 HGAB C[C@@H](OC(=O)c1sc2ccccc2c1Cl)C(=O)Nc1ncnc2nc[nH]c12 26245120 GHKMURYEACMUNN-MRVPVSSYSA-N 401.835 3.405 0 40 HGAB CC1CCN(Cc2ccc(CNC(=O)[C@H]3CC(=O)N(Cc4ccco4)C3)cc2)CC1 31284701 YFPQXAQPHNRLOM-NRFANRHFSA-N 409.530 3.176 0 40 HGAB COc1cc(CN(C)[C@H](C(=O)N2CCOCC2)c2ccccc2)ccc1OC(F)F 32751367 XEEGLZVGWXNSCL-FQEVSTJZSA-N 420.456 3.329 0 40 HGAB C[C@H]1C[C@H](OC(=O)c2ccccc2NS(=O)(=O)c2ccc(Cl)cc2)C(=O)O1 32895919 CCMSOLIOPFVCLX-ZBEGNZNMSA-N 409.847 3.002 0 40 HGAB CC[C@H]1CCCCN1C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 32896210 VMASYSGRGODSNE-FQEVSTJZSA-N 404.576 3.367 0 40 HGAB COc1cc(C(=O)NC(=S)N2CCCC[C@H]2c2cccnc2)cc(OC)c1OC 36612567 OKYWIHJSIYMNOS-INIZCTEOSA-N 415.515 3.349 0 40 HGAB CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1cn(C)nc1C(F)(F)F 40146550 BDWIGIPRKODBKZ-UHFFFAOYSA-N 408.302 3.168 0 40 HGAB C[C@H](NC(=O)NCc1ccc(Cn2cncn2)cc1)c1ccc(NC(=O)C2CC2)cc1 45124446 DNXLQFADFGQGRX-INIZCTEOSA-N 418.501 3.235 0 40 HGAB O=C(Nc1nnc(COc2ccccc2)s1)[C@@H]1CC(=O)N(Cc2ccccc2)C1 49550915 NUWOJXMXRWKQTO-MRXNPFEDSA-N 408.483 3.104 0 40 HGAB COc1ccc(CNC(=O)c2nnn(-c3ccc(Br)cc3)c2C)cc1 51317977 VCEZLECKWVBHIR-UHFFFAOYSA-N 401.264 3.277 0 40 HGAB C[C@H](C(=O)Nc1ccc(Br)cc1F)N1CCN(c2nccs2)CC1 57463525 DXZJVXUWOUPQNY-LLVKDONJSA-N 413.316 3.194 0 40 HGAB O=C(NCc1nc(-c2cccs2)no1)C1CCN(C(=O)/C=C/c2ccccc2)CC1 58202321 DEAQUWQTWJZISD-CMDGGOBGSA-N 422.510 3.366 0 40 HGAB CN(C)C(=O)CCNC(=O)c1cc2cc(Br)cc(Br)c2o1 64489052 FAYCCSDWJQHLGV-UHFFFAOYSA-N 418.085 3.166 0 40 HGAB COc1ccc(CNC(=O)c2nnn(-c3cccc(OC)c3)c2-c2ccncc2)cc1 67261750 FUCFPPHKOUXXCH-UHFFFAOYSA-N 415.453 3.277 0 40 HGAB O=C(NCc1ccccn1)c1ccc(Oc2nccnc2N2CCSCC2)cc1 67323992 YIVFERFXIFEAGB-UHFFFAOYSA-N 407.499 3.147 0 40 HGAB COc1ccc(N2C[C@H](C(=O)N3CCc4[nH]c5ccc(OC)cc5c4C3)CC2=O)cc1 72324893 PARYBVMXJNLVOU-OAHLLOKOSA-N 419.481 3.123 0 40 HGAB biogenic C[C@@H]1Cc2ccccc2N1C(=O)CN1N=C(c2nc(-c3ccccc3)no2)CCC1=O 72329644 VBKCMZSPMXXZHZ-OAHLLOKOSA-N 415.453 3.041 0 40 HGAB C[C@@H](Cn1cncn1)C(=O)NC1CCN(CC2(c3ccccc3F)CCCC2)CC1 72393500 QLIGYGUGZOPZIS-SFHVURJKSA-N 413.541 3.146 0 40 HGAB O=C(N[C@@H](c1ccccc1)c1nc[nH]n1)C1CCN(c2nc3ccccc3o2)CC1 95467860 FSNHAPPHIBPRHY-IBGZPJMESA-N 402.458 3.068 0 40 HGAB CC(C)N1CCc2c(nc3cc([C@@H]4CCCCN4C(=O)C4CCCC4)nn3c2O)C1 100234084 FDMNORQTKBYRFO-FQEVSTJZSA-N 411.550 3.445 0 40 HGAB CCc1ccccc1N(CN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O)C(=O)C(F)(F)F 100395351 MRYOEHRLOWYCCK-CNGUFQHNSA-N 418.415 3.155 0 40 HGAB CCn1/c(=N/C(=O)c2ccc(C(=O)OC)cc2)sc2c(OC)ccc(OC)c21 100908901 JJHFXOOMJRGNJJ-MRCUWXFGSA-N 400.456 3.268 0 40 HGAB COc1cc2c(cc1OC)/C(=C/S(=O)(=O)c1ccc(Br)cc1)NCC2 101345138 ZSYVJFBPDPPGOL-WJDWOHSUSA-N 424.316 3.384 0 40 HGAB O=C(O)c1ccc(Oc2cccc(N3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)c2)cc1C(=O)O 101517999 TWBVEJZZIMMLSJ-OGCKGYDTSA-N 419.389 3.187 0 40 HGAB CCc1cccc(C)c1NC(=O)CN1C(=O)C(=O)N([C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)C1=O 104673274 QFSHKYMSEBEEIE-UOVPBQLFSA-N 411.502 3.111 0 40 HGAB CCn1c(CN[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)nc2cc(S(=O)(=O)N(C)C)ccc21 104811546 AARBYCJMFDHJKU-MUQADHOPSA-N 404.580 3.221 0 40 HGAB CC[C@@H](C(=O)NCCCc1ccccc1OC)N(c1ccc(C)cc1)S(C)(=O)=O 219097056 LBTMMKQJORBJLP-FQEVSTJZSA-N 418.559 3.297 0 40 HGAB O=C(CCCN1C(=O)c2ccccc2S1(=O)=O)Nc1ccccc1Br 219430109 DBLDRUWBMSKRBG-UHFFFAOYSA-N 423.288 3.013 0 40 HGAB O=C(COc1ccc(S(=O)(=O)N2CCCC2)cc1)Nc1ccc2sncc2c1 222638770 OEAOUKRRJIFFHT-UHFFFAOYSA-N 417.512 3.098 0 40 HGAB CC[C@@H](NC(=O)CN(c1ccccc1C)S(C)(=O)=O)c1ccc(OC)c(C)c1 222818421 VIBUMNULZSNFPF-GOSISDBHSA-N 404.532 3.346 0 40 HGAB COc1ccc(Cl)cc1S(=O)(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 223713143 KIONXMPMQPFGCL-AWEZNQCLSA-N 424.906 3.058 0 40 HGAB S=C1N[C@H](c2ccccn2)[C@@H](c2ccc[nH]2)N1c1ccc(N2CCOCC2)cc1 223920809 AYVLXNQGIMOYHF-NHCUHLMSSA-N 405.527 3.423 0 40 HGAB COc1ccc2c(c1)O[C@]1(C[C@H]3CC[C@H]1C[C@@H]3C(=O)NCc1cccc(F)c1)NC2=O 247975687 WBJQPRCVNUJKNR-ONKLLMOWSA-N 424.472 3.405 0 40 HGAB COc1ccc2c(c1)OC(C)(C)[C@H]1C[C@@H]3CN(C(=O)CCCC(=O)O)CC[C@@H]3O[C@H]21 257225733 FHNSPLRMQKEQIK-HPXJRWHBSA-N 417.502 3.416 0 40 HGAB O=C1N[C@H]2CCCN(C(=O)Cc3cccnc3)[C@H]2C/C=C/CCOc2ccccc21 257232598 GLOSYVLSVULAGC-AJLPNKGSSA-N 405.498 3.143 0 40 HGAB CC1CCN(S(=O)(=O)c2ccc(OCC(=O)N(C)Cc3ccccc3)cc2)CC1 408604377 IJKSHVLKEJXNKV-UHFFFAOYSA-N 416.543 3.145 0 40 HGAB CC1(C)CC(NC(=O)C(=O)NCC(c2ccccc2)c2ccccc2)CC(C)(C)N1 408708412 ZKJRIOQMRJEXTD-UHFFFAOYSA-N 407.558 3.360 0 40 HGAB CC1CCC(NC(=O)C(=O)Nc2ccccc2C(=O)NCCc2ccccc2)CC1 408710007 KZOKIFGGFPONQX-UHFFFAOYSA-N 407.514 3.293 0 40 HGAB Cc1cccc(C(=O)N[C@H](C)c2nnc(SCC(=O)NCc3ccccc3)n2C)c1 409129594 UPFLGOKAVSUODS-MRXNPFEDSA-N 423.542 3.023 0 40 HGAB CCc1ccc(N(CC(=O)Nc2cc(C(=O)OC)ccc2Cl)S(C)(=O)=O)cc1 409260695 UUTZIPHLHJQOGX-UHFFFAOYSA-N 424.906 3.094 0 40 HGAB Cc1cc(S(C)(=O)=O)cc(C(=O)N[C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)c1C 540542695 JYDORXAUCPMWHE-MOPGFXCFSA-N 409.454 3.245 0 40 HGAB O=C(c1cnc2ccccc2n1)N1CC[C@@H](c2ccccc2Cl)S(=O)(=O)CC1 575617318 NUOUDVRVCWCLDK-IBGZPJMESA-N 415.902 3.285 0 40 HGAB O=C(COc1ccccc1F)N1CCC(Cn2nc(-c3ccccc3)ccc2=O)CC1 606440900 PWBZKVJGGVWGNL-UHFFFAOYSA-N 421.472 3.367 0 40 HGAB CN(Cc1cnc2n1CCOC21CCN(C(=O)[C@@]2(C)CC=CCC2)CC1)CC1CC1 1614940433 BZIOPGLZMXUUIZ-QHCPKHFHSA-N 412.578 3.319 0 40 HGAB C[C@H]1C[C@@H]2[C@@H](CC(=O)N2Cc2ccccc2)[C@@H]1CNC(=O)c1ccccc1C(=O)O 1775964168 VCBLRYWBDDHKIR-JWOSDPRPSA-N 406.482 3.188 0 40 HGAB biogenic,in-vitro Cc1cc(N2CCN(c3cc(C(F)(F)F)nc(C4CC4)n3)CC2)n2nc(C)cc2n1 1888890198 FVPKGBVGBVTEBH-UHFFFAOYSA-N 417.439 3.359 0 40 HGAB COC(=O)c1cnc(SC[C@H]2CCOC2)n(-c2ccc(C(F)(F)F)cc2)c1=O 2087065427 QBGFDTGYLTXHMA-NSHDSACASA-N 414.405 3.167 0 40 HGAB CC(=O)Oc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 804690 GABGURRWYZDQTA-UHFFFAOYSA-N 402.472 3.039 0 40 HGAB COc1ccc2[nH]c(=O)c(CN(CCN(C)C)C(=S)Nc3ccccc3)cc2c1 880677 HTVYVCIGXBXPOF-UHFFFAOYSA-N 410.543 3.297 0 40 HGAB COc1cc(-c2nnn(CC(=O)N3CCC[C@@H](C)C3)n2)ccc1OCc1ccccc1 924199 POGJMWGEWBAYBH-QGZVFWFLSA-N 421.501 3.186 0 40 HGAB Cc1c(Cc2ccccc2)c(=O)oc2c(C)c(O[C@@H](C)C(=O)NCCC(=O)O)ccc12 2098918 VHXBSCKUGFAZDO-INIZCTEOSA-N 423.465 3.359 0 40 HGAB biogenic O=C(NCCN1C(=O)S/C(=C\c2ccc(Cl)cc2Cl)C1=O)[C@@H]1CCCO1 2619474 VJMZNAFCGWOERR-IAOKNECISA-N 415.298 3.325 0 40 HGAB O=C(COC(=O)c1ccc(-c2nc3ccccc3s2)s1)NC[C@H]1CCCO1 2664704 XAOMHSIGNVUHCT-GFCCVEGCSA-N 402.497 3.477 0 40 HGAB O=S(=O)(c1ccc2nc3c(nc2c1)-c1cccc2cccc-3c12)N1CCOCC1 3219864 HRLYJYVUJGIHIY-UHFFFAOYSA-N 403.463 3.451 0 40 HGAB CCCn1c(=O)c2ccccc2n2c(SCC(=O)Nc3cccc(F)c3)nnc12 3375270 LYGGCUPCOLYYKH-UHFFFAOYSA-N 411.462 3.324 0 40 HGAB COc1ccc(NC(=O)CSc2nnc(-c3ccc4c(c3)OCO4)o2)cc1OC 3602582 GJSTYEYNKBEWSK-UHFFFAOYSA-N 415.427 3.213 0 40 HGAB Cc1ccc(C)c(Cn2c(=O)c3c(nc4n3CCCN4C3CCCCC3)n(C)c2=O)c1 4249268 GKOJNMRNKLSZKI-UHFFFAOYSA-N 421.545 3.105 0 40 HGAB Cn1c(COc2ccc3c(c2)CCCC3)nnc1SCC(=O)Nc1nccs1 4736578 JCHCKMJVYYHJOB-UHFFFAOYSA-N 415.544 3.460 0 40 HGAB CC1(C)CC(=O)c2sc(NC(=O)CCS(=O)(=O)Cc3ccccc3)nc2C1 4815723 JOBHOQZIHAJWKW-UHFFFAOYSA-N 406.529 3.242 0 40 HGAB CC1CCN(C(=O)C(=O)Nc2c3c(nn2-c2ccc(Cl)cc2)CSC3)CC1 4941779 WXGQHOUPSOCSGH-UHFFFAOYSA-N 404.923 3.470 0 40 HGAB CCOC(=O)CN1C(=O)C(C)(C)Oc2ccc(C(=O)Nc3ccccc3OC)cc21 4965766 NPHUZFYSIBNLLQ-UHFFFAOYSA-N 412.442 3.015 0 40 HGAB OC1(c2cccc(F)c2)C[C@@H]2CC[C@H](C1)N2Cc1nnnn1CCc1ccccc1 4967740 UNFBKVWUKAUHCT-TYABSZSSSA-N 407.493 3.070 0 40 HGAB Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)CSc3ccccc3F)CC2)c1 5392625 XSGUJLAYSIOJPU-UHFFFAOYSA-N 422.547 3.068 0 40 HGAB Nc1c(N(CCC2=CCCCC2)C(=O)C2CCC2)c(=O)[nH]c(=O)n1Cc1ccccc1 6237530 IPRZGLRICQYYOX-UHFFFAOYSA-N 422.529 3.191 0 40 HGAB O=C(Nc1ccccc1)c1cc(S(=O)(=O)n2ccnc2O)c(S)cc1Cl 6575436 FLKZRDDLBOWKIK-UHFFFAOYSA-N 409.876 3.020 0 40 HGAB CCOc1cc(C(=S)N2CCOCC2)ccc1OCC(=O)Nc1ccccc1 6960903 GPQJKTBYLFTMKP-UHFFFAOYSA-N 400.500 3.111 0 40 HGAB CCOC(=O)C1CCN(C(=O)CSc2nccn2-c2cc(C)cc(C)c2)CC1 7058230 LOYPPPKFYZFSLX-UHFFFAOYSA-N 401.532 3.383 0 40 HGAB CCOc1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1OC 7973391 CBHAXFKDEMDNAI-UHFFFAOYSA-N 404.488 3.131 0 40 HGAB O=C1Nc2ccccc2S[C@H]1CC(=O)N1CCN(c2cccc(Cl)c2)CC1 8016372 DPUOOCCYABRDPT-SFHVURJKSA-N 401.919 3.492 0 40 HGAB Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3c(C)c(C)c(C)c(C)c3C)CC2)o1 8090292 DIMVHTNPCLIZSL-UHFFFAOYSA-N 404.532 3.277 0 40 HGAB COc1ccccc1CNC(=O)c1cccc(S(=O)(=O)NCc2cccs2)c1 8304300 RNLAJXRBIIXNFN-UHFFFAOYSA-N 416.524 3.165 0 40 HGAB CCn1nnnc1SCC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccs1 8315064 ZHUBACLOHHQKFS-GFCCVEGCSA-N 404.546 3.286 0 40 HGAB CCCCOC(=O)c1ccc(NC(=O)C[C@@H]2OCCN(Cc3ccccc3)C2=O)cc1 8570020 SERSOZRXJVRXQH-NRFANRHFSA-N 424.497 3.400 0 40 HGAB Cc1ccc(N2C(=O)C[C@H](C(=O)OCC(=O)NCC(C)C)[C@H]2c2cccs2)cc1 8923992 JUPZNEXOXPFUMV-UWJYYQICSA-N 414.527 3.466 0 40 HGAB CCn1c(SCC(=O)NC(=O)NCc2ccco2)nnc1-c1ccc(Cl)cc1 9128453 ZRXMBGFVHWGYNB-UHFFFAOYSA-N 419.894 3.330 0 40 HGAB COc1ccc(-c2ccc3nnc(SCC(=O)NCc4ccc(F)cc4)n3n2)cc1 9829053 QMRVXVYYTDDGAH-UHFFFAOYSA-N 423.473 3.348 0 40 HGAB COc1ccc(C)cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2cccc(C)c2)C1 9974731 BOPQLVTXMHYDKJ-QGZVFWFLSA-N 402.516 3.351 0 40 HGAB COc1ccc(S(=O)(=O)CCC(=O)Nc2nc(-c3ccccn3)cs2)cc1 10219489 IEXSKBRFXQSPIO-UHFFFAOYSA-N 403.485 3.016 0 40 HGAB Cc1ccc(-n2ncc3c(=O)n(NC(=O)COc4ccc(C(C)C)cc4)cnc32)cc1 10251599 RFXDAIQTFILLKY-UHFFFAOYSA-N 417.469 3.163 0 40 HGAB COc1ccc2c(COC(=O)CCCc3nc4ccccc4c(=O)[nH]3)cc(=O)oc2c1 11039557 AFNHGASEJXSFQF-UHFFFAOYSA-N 420.421 3.104 0 40 HGAB CCCc1cc(=O)[nH]c(SCC(=O)Nc2ccccc2C(=O)NC2CCCC2)n1 11443186 CVCYEOPJXGPEAR-UHFFFAOYSA-N 414.531 3.126 0 40 HGAB O=C(Cc1ccc2c(c1)OCO2)N1CCC[C@H](c2ncncc2-c2ccncc2)C1 12088539 MFDYOFWHDBSTRA-SFHVURJKSA-N 402.454 3.216 0 40 HGAB CN(Cc1nc(N2CCCC2)ncc1-c1ccncc1)C(=O)Cc1ccc(F)cc1 12088887 HHDDGNRSBFYWGQ-UHFFFAOYSA-N 405.477 3.479 0 40 HGAB C[C@H]1C[C@@H](C)CN(C(=O)CN2CCC[C@@H](n3c(=O)oc4ccc(Cl)cc43)C2)C1 12184567 WDTZTVGVLFXGIB-HLLBOEOZSA-N 405.926 3.389 0 40 HGAB COCCn1c(C)c(C)c(S(=O)(=O)c2ccccc2)c1NC(=O)c1ccco1 12408242 OIRCCUBFVYNOBP-UHFFFAOYSA-N 402.472 3.429 0 40 HGAB Cc1ccc(S(C)(=O)=O)cc1NC(=O)Cc1cc(Cl)c2c(c1)OCCCO2 12781951 USTSFXXZYQCXKG-UHFFFAOYSA-N 409.891 3.394 0 40 HGAB O=c1c(Cl)c(Cl)cnn1-c1ccc(S(=O)(=O)Oc2ccccc2F)cc1 12846294 RXTRKFYGMKJRBS-UHFFFAOYSA-N 415.229 3.446 0 40 HGAB Cc1cc(C)c(NC(=O)CNS(=O)(=O)c2cccc(OC(F)(F)F)c2)c(C)c1 12876938 JXUORMXPWQXUON-UHFFFAOYSA-N 416.421 3.427 0 40 HGAB CC[C@@H](NC(=O)CN(C)S(=O)(=O)c1ccc(C(C)=O)cc1)c1ccc(Cl)cc1 12883131 WBDLYSQNFIKVMU-LJQANCHMSA-N 422.934 3.431 0 40 HGAB C[C@@H](OC(=O)[C@@]12CCC(=O)N1c1ccccc1S2)C(=O)Nc1ccccc1F 12917375 IXHICODXETYHDD-ODXCJYRJSA-N 400.431 3.325 0 40 HGAB CCOC(=O)c1ccc(NC(=O)[C@H](CC)N(c2ccc(C)cc2)S(C)(=O)=O)cc1 13713129 JAIKPYKNPMYIHQ-IBGZPJMESA-N 418.515 3.355 0 40 HGAB COc1cc(C(=O)Nc2ccc(C)c(C(F)(F)F)c2)cc(OC)c1OCC(N)=O 14202017 RQOZMWUEXVGHPU-UHFFFAOYSA-N 412.364 3.147 0 40 HGAB Cc1ccc(-n2nnnc2SC[C@@H](O)COc2cccc(Br)c2)cc1 14246251 WARAGLZKVBCUKN-HNNXBMFYSA-N 421.320 3.265 0 40 HGAB COc1ccc([C@@H]2CCCCCN2S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)cc1 14250591 ORDWPMKVIRQFIM-IBGZPJMESA-N 416.499 3.332 0 40 HGAB CN(Cc1ccc(OCC(=O)Nc2ccccc2C(F)(F)F)cc1)S(C)(=O)=O 14400864 PKKMRGKGNHDHEN-UHFFFAOYSA-N 416.421 3.114 0 40 HGAB O=C(C[C@@H]1CCNC[C@@H]1Cc1cc(COc2ccccc2)on1)NCc1ccco1 15673575 DHPADCWDGQWZPM-ROUUACIJSA-N 409.486 3.321 0 40 HGAB biogenic,in-vitro CN(C)S(=O)(=O)c1cc(C(=O)N2CCCc3ccccc32)ccc1Br 16023002 MBEFOAPPBUOBNF-UHFFFAOYSA-N 423.332 3.292 0 40 HGAB COc1ccccc1/C=c1/sc2nc(-c3ccc(OCC(C)C)cc3)nn2c1=O 16728869 RMNVUWFDNCVLLD-XDHOZWIPSA-N 407.495 3.409 0 40 HGAB CCC(=O)c1ccc(OC[C@@H](O)CN2CCN(c3cccc(Cl)c3)CC2)cc1 16739479 YDKTUTATGPPYQA-FQEVSTJZSA-N 402.922 3.495 0 40 HGAB COc1ccc(-c2ccc(OC)cc2C(=O)N2Cc3ccccc3C[C@H]2C(N)=O)cc1 19654925 IPNQRUHDUXXIIJ-QHCPKHFHSA-N 416.477 3.423 0 40 HGAB CN(C)C(=O)c1sc2ncccc2c1[C@H]1CCN(CC(=O)NC2CCCCC2)C1 19702002 GIYNELGZXBIVNY-HNNXBMFYSA-N 414.575 3.236 0 40 HGAB O=C(CC1CCN(S(=O)(=O)c2cccc(F)c2)CC1)Nc1ccc2[nH]cnc2c1 19748232 GKDDVMZPEHBQLG-UHFFFAOYSA-N 416.478 3.132 0 40 HGAB CCOc1ccc([C@@H](C)NS(=O)(=O)c2ccc(OC)c(C(=O)NC(C)C)c2)cc1 20038284 XYMNFDHXZWFZBY-OAHLLOKOSA-N 420.531 3.272 0 40 HGAB CCOc1ccc(N(CC(=O)N[C@H](CC)c2ccc(OC)cc2)S(C)(=O)=O)cc1 20105053 SWFNTWPJLSHGMP-HXUWFJFHSA-N 420.531 3.127 0 40 HGAB CCn1c(SCC(=O)N[C@@H](Cc2ccccc2)C(C)=O)nnc1-c1cccs1 21282856 MVAPEKGOHKYSIH-INIZCTEOSA-N 414.556 3.435 0 40 HGAB O=C(CN1C(=O)C(=O)N(Cc2ccccc2)C1=O)c1ccc2c(c1)-c1ccccc1C2 21992142 UBMJHLZTBRPREJ-UHFFFAOYSA-N 410.429 3.432 0 40 HGAB Cc1cccc(N(CC(=O)NCCCc2ccccc2Cl)S(C)(=O)=O)c1C 22340419 OSJZMKFQZBVGOB-UHFFFAOYSA-N 408.951 3.472 0 40 HGAB CC(C)(C)c1csc(CN2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)n1 22605454 YJQIIIRYIRNEIQ-UHFFFAOYSA-N 415.531 3.225 0 40 HGAB C[C@@H](C(=O)NC[C@@H]1CCCO1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 22802922 PEJQQWSGFYYBAL-REWPJTCUSA-N 407.558 3.077 0 40 HGAB Cc1ccc2c(c1)C(=O)C(=O)N2CN1CCN([C@H](C)c2nc3ccccc3s2)CC1 22915822 REASEHPVLUWMOR-MRXNPFEDSA-N 420.538 3.470 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)NCCCN(C)c1ccccc1 23428069 FXBLGOQNSPCLSW-UHFFFAOYSA-N 415.559 3.036 0 40 HGAB O=C(CN1CCSC1=O)N1CCN(Cc2sc3ccccc3c2Cl)CC1 23805016 VQPFBVPDJPHSCU-UHFFFAOYSA-N 409.964 3.368 0 40 HGAB Cc1nc(-c2ccc(CCNC(=O)[C@@H](C)N3C(=O)[C@H]4CC=CC[C@H]4C3=O)cc2)cs1 24981894 QWJZYRHKBOYDGS-ZMYBRWDISA-N 423.538 3.117 0 40 HGAB CCOC(=O)C1=C(C)Nc2nc(=S)[nH]c(O)c2[C@H]1c1ccc2c(c1)OCCO2 28466028 KNBADMRMYVLMEA-AWEZNQCLSA-N 401.444 3.010 0 40 HGAB COc1cc2ncn(CCC(=O)Nc3nc4ccc(C)cc4s3)c(=O)c2cc1OC 32072711 RJMOLWHUWBUMJJ-UHFFFAOYSA-N 424.482 3.361 0 40 HGAB COc1ccc(OC)c(-n2cnc3cc(C(=O)NC4CCCCC4)ccc3c2=O)c1 32091865 ZCCFORUGOUKPRG-UHFFFAOYSA-N 407.470 3.465 0 40 HGAB O=c1c(Cl)c(Cl)cnn1-c1ccc(S(=O)(=O)NCc2cccs2)cc1 32755269 RNOJVJSSZBOZPX-UHFFFAOYSA-N 416.311 3.079 0 40 HGAB CN(C)S(=O)(=O)c1ccc(CNC(=O)c2cccc3c4c([nH]c23)CCCC4)s1 32795858 DPBCQUNEDLUAKG-UHFFFAOYSA-N 417.556 3.289 0 40 HGAB CCc1ccc2c(COC(=O)CCn3ncc(=O)c4ccccc43)cc(=O)oc2c1 32829187 QETRTWYUNZKRTR-UHFFFAOYSA-N 404.422 3.199 0 40 HGAB O=C1CCCCCN1CCCNS(=O)(=O)c1ccc(Br)cc1Cl 32885554 PBSGOQJFRRFUGL-UHFFFAOYSA-N 423.760 3.174 0 40 HGAB CCC[C@@H](NC(=O)c1cc(S(N)(=O)=O)ccc1Br)c1ccccc1 32903857 HQEJVHKOMHCBST-MRXNPFEDSA-N 411.321 3.368 0 40 HGAB CCCn1c(=O)c2cc(Cl)ccc2n2c(SCC(=O)N[C@@H](C)CC)nnc12 33255045 XPVPMHVIVQASMU-NSHDSACASA-N 407.927 3.114 0 40 HGAB CCN(Cc1cccc(NC(=O)c2ccc(CNC(C)=O)cc2)c1)C(=O)C(F)(F)F 36761183 DWTGSCMPLHUYOR-UHFFFAOYSA-N 421.419 3.486 0 40 HGAB COc1ccc([C@H](C)NC(=O)c2ccc3c(c2)C[C@@H](C)N3S(C)(=O)=O)cc1F 37218958 RRPGQVMQCHHQKT-OLZOCXBDSA-N 406.479 3.036 0 40 HGAB Cc1ccc(Cn2ncc3c(C(=O)N4CCC(C(=O)N(C)C)CC4)cc(C)nc32)cc1 40009628 NGRIULXGIDUJTQ-UHFFFAOYSA-N 419.529 3.037 0 40 HGAB CCCn1c(=O)[nH]c(=O)c2c(C(=O)Nc3ccc(OCC)cc3)cc(C(C)C)nc21 40063231 PITZYRWIDTUWPE-UHFFFAOYSA-N 410.474 3.269 0 40 HGAB Cc1nccn1C[C@@H](C)CNC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCCC3 40156065 CDDVKCDRQLFNHI-INIZCTEOSA-N 407.518 3.084 0 40 HGAB COCCc1noc(-c2ccc(=O)n(CC(=O)Nc3ccc(Cl)c(Cl)c3)c2)n1 49007564 LTQVRKKETHXSLM-UHFFFAOYSA-N 423.256 3.033 0 40 HGAB Cc1ccc(S(=O)(=O)C2(C(=O)N[C@@H](C)c3ccc4c(c3)OCO4)CCC2)cc1 58429790 NJPAKMCLURKIIC-HNNXBMFYSA-N 401.484 3.298 0 40 HGAB CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)CCCc2ccc3[nH]c(=O)[nH]c3c2)c1C 72270412 LWNZSMQWSSPWFK-CQSZACIVSA-N 411.458 3.141 0 40 HGAB CCCCN1C(=O)c2ccccc2[C@H](C(=O)NCCC(=O)OC)C12CCCCC2 79476421 HQQUDAOUDDWITI-HXUWFJFHSA-N 400.519 3.408 0 40 HGAB O=S(=O)(CC[C@H]1CCCO1)NC1(c2nc(-c3ccsc3)no2)CCCCC1 95449627 TYNNFMYBZUDUDO-OAHLLOKOSA-N 411.549 3.446 0 40 HGAB C[C@H](NCC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1)C12CC3CC(CC(C3)C1)C2 95469681 VGQSGTPDODSZTL-RXHHBCLFSA-N 422.635 3.139 0 40 HGAB CN1CC(=O)N(c2cccc(F)c2)C[C@]12CCN(C(=O)Nc1ccc(Cl)cc1)C2 96050282 SUNDRPDKSVJVIX-OAQYLSRUSA-N 416.884 3.434 0 40 HGAB CCCCCN(C)C(=O)c1ncn2c1CN(CC1CC1)S(=O)(=O)c1ccccc1-2 96147443 JRXOUOGCKFUPNR-UHFFFAOYSA-N 416.547 3.049 0 40 HGAB CCc1cccc(NC(=O)N2CCC[C@@]3(CC(C(=O)NCc4cccnc4)=NO3)C2)c1 96225113 DPOWUWNAZPANPF-HSZRJFAPSA-N 421.501 3.103 0 40 HGAB Cc1n[nH]c(C)c1C12C[C@H]3C[C@@H](CC(CC(=O)NC[C@@H](C)N4CCOCC4)(C3)C1)C2 100774139 PZQRCVSDRHVKDZ-FYRAAAAQSA-N 414.594 3.092 0 40 HGAB O=C(COC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1)c1ccc(F)cc1 101226712 HQTZQRBVOIYZHP-LRGYGIHKSA-N 419.408 3.177 0 40 HGAB COc1ccc(N2C(=O)[C@H]3ON(c4ccccc4C)[C@@H](c4cccnc4)[C@@H]3C2=O)cc1 102873091 PWQSEFAZOVLDGP-FKBYEOEOSA-N 415.449 3.450 0 40 HGAB COc1cc(CN2Cc3ccccc3C[C@H]2C(=O)NCc2ccccn2)ccc1O 105932265 AFWWORTVRUDXRY-NRFANRHFSA-N 403.482 3.039 0 40 HGAB COc1ccc(Cl)cc1N([C@H](C)C(=O)Nc1ccc(F)cc1F)S(C)(=O)=O 113941682 FJPMYXSRYZKSKG-SNVBAGLBSA-N 418.849 3.420 0 40 HGAB COc1ccccc1CN(C)C(=O)[C@@H](C)N(c1cc(C)cc(C)c1)S(C)(=O)=O 216233875 ZPIIYFQNMIELLJ-QGZVFWFLSA-N 404.532 3.125 0 40 HGAB CC[C@H](C(=O)NCCSC(C)(C)C)N(c1cc(C)cc(C)c1)S(C)(=O)=O 220568012 XSPZZKNEZZVPLL-QGZVFWFLSA-N 400.610 3.496 0 40 HGAB C[C@@H](C(=O)NCc1cccnc1)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1 222917584 ZTXOFHZDVGYILO-SFHVURJKSA-N 405.473 3.497 0 40 HGAB Cc1cc(C)c([C@@H](C)NC(=O)[C@@H]2CN(S(C)(=O)=O)c3ccccc3O2)cc1C 223461734 MPJHRCJUAOFGQW-UZLBHIALSA-N 402.516 3.016 0 40 HGAB CCN(Cc1nc(-c2cccs2)no1)S(=O)(=O)c1ccc(C)c(C(=O)OC)c1 223909950 QLIBXBZXVKFZPY-UHFFFAOYSA-N 421.500 3.104 0 40 HGAB Cc1cccc(OCCNC(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)c1C 223909998 PKKHMVTUKQZNLC-UHFFFAOYSA-N 418.559 3.388 0 40 HGAB Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NCc3ccncc3)cc2)cc1 224423947 FWHXTTHKLLKILA-UHFFFAOYSA-N 409.511 3.141 0 40 HGAB CCCSc1nnc(NC(=O)CN(c2ccc(C)cc2C)S(C)(=O)=O)s1 225331260 KLURUGMROKEDCU-UHFFFAOYSA-N 414.578 3.062 0 40 HGAB O=S(=O)(c1ccccc1Br)N1CC[C@H](c2ccc3c(c2)OCO3)C1 225678599 AYAVNSIBHDGCBW-ZDUSSCGKSA-N 410.289 3.356 0 40 HGAB COc1ccc(NC(=O)[C@]2(C)CCN(c3ccc(Cl)cc3)S2(=O)=O)c(OC)c1 225946602 ZSNBUTAQTSVGNX-IBGZPJMESA-N 424.906 3.295 0 40 HGAB Cc1ncc(-c2nccnc2[C@@H]2CCCN(C(=O)c3ccc4[nH]cnc4c3)C2)n1C 257211302 BYJXLERGEGBNFF-MRXNPFEDSA-N 401.474 3.082 0 40 HGAB C[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N[C@H]1CCCc2ccccc21 260772705 WAXPBRAGIVZXMD-QRWLVFNGSA-N 402.516 3.044 0 40 HGAB Cc1ccc(C(=O)N2Cc3cn(C(C)C)nc3C3(CCN(C(=O)N(C)C)CC3)C2)cc1 306127206 FRSVOQJTXVIYFM-UHFFFAOYSA-N 423.561 3.444 0 40 HGAB Cc1ccc(CN2CC[C@]3(COCc4c3n[nH]c4C(=O)NC3CCCC3)C2)s1 306140070 UISBUSUOWGIENG-OAQYLSRUSA-N 400.548 3.126 0 40 HGAB COc1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc3ccccc3c2)c(OC)c1 408556886 FEXUGDYVXCPLJZ-AWEZNQCLSA-N 414.483 3.163 0 40 HGAB COc1ccc(N([C@H](C)C(=O)Nc2ccc(OC(C)C)cc2)S(C)(=O)=O)cc1 408617729 IWPVTIHPDOEPQG-OAHLLOKOSA-N 406.504 3.276 0 40 HGAB CCOc1ccc(NC(=O)CSc2nc(O)c(C)c(=O)n2-c2ccccc2)cc1 408897399 RYPCUHDDDNUJIW-UHFFFAOYSA-N 411.483 3.376 0 40 HGAB CCn1c(CNC(=O)c2ccccc2C)nn(CC(=O)Nc2ncccc2C)c1=S 409165580 ZTIOKFWQZXLAQZ-UHFFFAOYSA-N 424.530 3.015 0 40 HGAB CCCCOC(=O)CN1C(=O)S/C(=C/c2cc(OC)c(OC)c(OC)c2)C1=O 409215269 WMFYFQAWMDNNSK-XNTDXEJSSA-N 409.460 3.092 0 40 HGAB COCCn1cc([C@H]2[C@H](CNCc3ccc(F)cc3C)CC(=O)N2C(C)(C)C)cn1 508869547 YHWQJDYCVBWSNY-PGRDOPGGSA-N 416.541 3.455 0 40 HGAB COc1cccc(O[C@H]2CCN(C(=O)c3cc(-c4ccccc4)[nH]n3)CC[C@@H]2O)c1 585267882 MPWALNYIWIRNQF-VXKWHMMOSA-N 407.470 3.130 0 40 HGAB CCOC(=O)c1c[nH]c2ccc(C)cc2c1=NCc1ccccc1NS(C)(=O)=O 1116117429 NPIBRHMOVVXURK-UHFFFAOYSA-N 413.499 3.125 0 40 HGAB COc1ccc(Cl)cc1NC(=O)N1CCC(Nc2cc(N(C)C)ncn2)CC1 1888882278 QUUQZIOWQWGJFN-UHFFFAOYSA-N 404.902 3.313 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc(C)c3)CC2)cc1C 813987 MATYABKXEMXKCT-UHFFFAOYSA-N 402.516 3.351 0 40 HGAB CC(C)[C@@H]1Cc2c(sc3nc(SCC(N)=O)n(-c4ccccc4)c(=O)c23)CO1 1245556 INDRJUNYNNCJMC-AWEZNQCLSA-N 415.540 3.122 0 40 HGAB Cc1cccc(C(=O)NC(=S)Nc2ccc(N3CCN(C(=O)C(C)C)CC3)cc2)c1 1256251 FNUUSKVMCMPNGI-UHFFFAOYSA-N 424.570 3.426 0 40 HGAB O=c1/c(=C/c2ccc(Cl)cc2)sc2n1CN(c1cccc(C(F)(F)F)c1)CN=2 2263360 SPIHRAXDEUGGCC-PXNMLYILSA-N 423.847 3.466 0 40 HGAB CCCC(=O)N[C@H](NC(=S)Nc1ccccc1C(=O)O)C(Cl)(Cl)Cl 2682871 AETWQLXNBWWWKE-GFCCVEGCSA-N 412.726 3.284 0 40 HGAB COCCOC(=O)C1=C(C)N(Cc2ccccc2)C(=O)N[C@@H]1c1ccc(OC)cc1 3102028 JTQBBFZRSJTDHR-OAQYLSRUSA-N 410.470 3.425 0 40 HGAB COc1cc(N)c(Cl)cc1C(=O)OCC(=O)Nc1ccccc1Br 3269394 WXCQSRDCRKGFHV-UHFFFAOYSA-N 413.655 3.489 0 40 HGAB CC(=O)N1Cc2ccccc2C[C@H]1C(=O)O[C@@H](C)C(=O)Nc1cccc(Cl)c1 3340528 JSDBYYRACRTOOC-DJJJIMSYSA-N 400.862 3.184 0 40 HGAB COc1ccccc1[C@H](CNC(=S)NCc1ccc2c(c1)OCO2)N1CCCC1 3418079 UMKUBUNQHQMFOK-SFHVURJKSA-N 413.543 3.225 0 40 HGAB COc1cccc(-c2nnc(SCC(=O)N3CCCC3=O)n2-c2ccc(C)cc2)c1 3427162 FGKWDNDTAPWYIN-UHFFFAOYSA-N 422.510 3.492 0 40 HGAB COc1ccc(-n2nnnc2S[C@H](C)C(=O)Nc2cc(Cl)ccc2OC)cc1 3501639 GUPFLDUMWUTWDJ-LLVKDONJSA-N 419.894 3.452 0 40 HGAB CNC(=O)CN(Cc1c(F)cccc1Cl)S(=O)(=O)c1ccc(Cl)cc1 4694656 WHGDFMRIYWBNMJ-UHFFFAOYSA-N 405.278 3.069 0 40 HGAB Nn1c(SCC(=O)N2CCC(c3ccccc3)=N2)nnc1-c1cccc(Cl)c1 5077020 GQAJVULUHWHVMW-UHFFFAOYSA-N 412.906 3.041 0 40 HGAB COc1ccc(-c2ccc(SCC(=O)NCc3ccc4c(c3)OCO4)nn2)cc1 5107839 FDPMSNQZPZZBEH-UHFFFAOYSA-N 409.467 3.289 0 40 HGAB COC(=O)[C@H](C)Sc1nc2sc3c(c2c(=O)n1C[C@@H]1CCCO1)CC[C@H](C)C3 5878313 HJAHSQHWWXTQHU-AVGNSLFASA-N 422.572 3.415 0 40 HGAB CC(C)c1ccc(NC(=O)CN2C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C2=O)cc1 6050040 VBLHJFGYZZMMHP-FQEVSTJZSA-N 404.470 3.393 0 40 HGAB CCOC(=O)c1c(NC(=O)Cn2c(C)nc3ccccc3c2=O)sc(CC)c1C 6546052 JMCCQDIWXISFOH-UHFFFAOYSA-N 413.499 3.453 0 40 HGAB O=S(=O)(NCCc1csc(-c2cccs2)n1)c1ccc2c(c1)OCCO2 6719531 BFRMPUJVLYONTO-UHFFFAOYSA-N 408.526 3.164 0 40 HGAB CCOc1cc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCOC)ccc1O 6752807 NRVKUKOIYNYDPO-NRFANRHFSA-N 409.442 3.078 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1nnc(CC(C)C)s1 6836595 BFYZRXOVGQSSSL-UHFFFAOYSA-N 422.576 3.472 0 40 HGAB O=C(COc1cc2ccccc2cc1C(=O)N1CCOCC1)Nc1ccccc1F 6929347 CIYKXCXDFNZACW-UHFFFAOYSA-N 408.429 3.469 0 40 HGAB Cc1ccc(NC(=O)[C@H](C)Sc2n[nH]c(=O)n2CCc2ccccc2)cc1F 7301192 TYUCJDCOZPDFDE-AWEZNQCLSA-N 400.479 3.381 0 40 HGAB CCc1ccccc1N1C[C@@H](C(=O)O[C@@H](C(=O)NC2CC2)c2ccccc2)CC1=O 7504886 XMYCYPAMXCPYMF-PGRDOPGGSA-N 406.482 3.165 0 40 HGAB C[C@H](OC(=O)CSc1ccc2c(c1)OCCO2)C(=O)Nc1ccc(F)cc1F 7631918 ZIKVRSCJQYBQJX-NSHDSACASA-N 409.410 3.399 0 40 HGAB CC[C@H](C)Cc1c(C)sc2nc(SCC(=O)NC[C@@H]3CCCO3)[nH]c(=O)c12 7672480 BTXNQMPLPUOTSP-AAEUAGOBSA-N 409.577 3.269 0 40 HGAB Cc1ccsc1CN(C)C(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1 7898175 HQGAZYNGDDMIKW-UHFFFAOYSA-N 404.513 3.400 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCCN(C(=O)c3ccc(-n4cccc4)cc3)CC2)cc1 8229573 UGGSCYUOPOJUTD-UHFFFAOYSA-N 423.538 3.323 0 40 HGAB COc1ccc(C(=O)OCc2cccc(COC(=O)c3ccc(OC)nc3)c2)cn1 8512426 XCJCAKPTIFESPJ-UHFFFAOYSA-N 408.410 3.208 0 40 HGAB O=C(CN1CCC(C(=O)NCc2c(F)cccc2F)CC1)Nc1ccc(F)cc1 9068246 ORSZCJBKTGSJIH-UHFFFAOYSA-N 405.420 3.071 0 40 HGAB O=S1(=O)C[C@H]2N=C(SCCCOc3ccccc3)N(c3ccccc3)[C@@H]2C1 9304133 RCCPSMRDFIORKB-RTBURBONSA-N 402.541 3.231 0 40 HGAB O=C(CSc1nnc(-c2cccc(Cl)c2)o1)Nc1ccc2[nH]c(=O)[nH]c2c1 9420744 VTGCKDBYHVLGFR-UHFFFAOYSA-N 401.835 3.290 0 40 HGAB O=S(=O)(NC[C@@H](c1cccs1)S(=O)(=O)c1cccs1)c1cccs1 9742524 DWFFJVPODRETDU-LBPRGKRZSA-N 419.596 3.365 0 40 HGAB O=c1c2cccnc2n(Cc2cccc(Cl)c2)c(=O)n1Cc1ccc2c(c1)OCO2 9831013 HCYTVRYMQGKJKR-UHFFFAOYSA-N 421.840 3.037 0 40 HGAB O=C(Nc1ccc(CN2CCCC2)cc1)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 10219473 GTADEWDEUHSWHI-SFHVURJKSA-N 421.497 3.045 0 40 HGAB CCN(CC)CCN(C(=O)c1ccnn1C)c1nc2c(OC)ccc(C)c2s1 11695051 AUCXWMYESCDQEM-UHFFFAOYSA-N 401.536 3.335 0 40 HGAB CCOc1ccc(NC(=O)CSc2ncnc3c2nnn3-c2ccc(F)cc2)cc1 11758609 OIDNYXWJLSALGJ-UHFFFAOYSA-N 424.461 3.479 0 40 HGAB CCN1CCN(c2ccc(NC(=O)[C@H](C)NC(=O)OCc3ccccc3)cc2)CC1 11952463 JAWZWOPQBCMXRT-SFHVURJKSA-N 410.518 3.082 0 40 HGAB CC(=O)NC1(c2ccc(F)cc2)CCN(Cc2cnc(N3CCCCC3)nc2)CC1 12328669 SXLHFCDDVOQWGI-UHFFFAOYSA-N 411.525 3.233 0 40 HGAB COc1ccc(C(=O)CN2CCC3(CC2)CN(C(C)=O)Cc2ccccc2O3)cc1 12365537 IZWTTYVOJXBGQX-UHFFFAOYSA-N 408.498 3.154 0 40 HGAB CC[C@@H](C(=O)N1CCN(c2ccccc2)CC1)n1nnc(-c2ccc(Cl)cc2)n1 12527584 VTQKOBYNJJUQPL-IBGZPJMESA-N 410.909 3.293 0 40 HGAB O=C(/C=C/c1ccccc1)N1CCC(C(=O)N2CCn3c2nc2ccccc23)CC1 12537971 RORARDQAZPXESP-ZHACJKMWSA-N 400.482 3.335 0 40 HGAB COc1ccc(S(=O)(=O)N2[C@H]3CC[C@@H]2CC(NC(=O)Nc2ccccc2)C3)cc1 12644131 HNCJVOLNHOOHFU-AYHJJNSGSA-N 415.515 3.201 0 40 HGAB Cc1ccc(OCc2nc(C)c(C(=O)Nc3cccc(S(N)(=O)=O)c3)s2)cc1 12777831 GVUGXHCMECAKSN-UHFFFAOYSA-N 417.512 3.239 0 40 HGAB O=C(COc1c(Cl)cccc1Cl)N(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 12853192 CILQYCIMSBJUTJ-GFCCVEGCSA-N 418.298 3.181 0 40 HGAB CC[C@H]1CCc2sc(-c3nnc(SCC(=O)NCCCOC)n3C)cc2C1 12913152 SSPHOAZUWRMMJL-ZDUSSCGKSA-N 408.593 3.303 0 40 HGAB Cc1ccc(C)c(S(=O)(=O)N(C)Cc2ccc(C(=O)NCC(F)(F)F)cc2)c1 12924415 REUMYNBPZMHNPT-UHFFFAOYSA-N 414.449 3.416 0 40 HGAB CCOC(=O)c1ccc(S(=O)(=O)N(CC)Cc2ccc(OCC)c(OC)c2)cc1 12940494 ZZAGOQPRELXKGV-UHFFFAOYSA-N 421.515 3.481 0 40 HGAB COc1ccccc1NS(=O)(=O)c1cc(C)n(S(=O)(=O)c2ccccc2)c1C 13585947 ZMAFIFXZBRCDEK-UHFFFAOYSA-N 420.512 3.151 0 40 HGAB O=C(CN1C(=O)S/C(=C\c2cccc(Br)c2)C1=O)N1CCCCC1 15052787 PFZAXGPJFVBLIQ-UVTDQMKNSA-N 409.305 3.498 0 40 HGAB O=C(CCn1nc(C(F)(F)F)c(Cl)c1C1CC1)N1N=CC[C@@]1(O)C(F)(F)F 17091658 WRNCKWSGWHKDHV-GFCCVEGCSA-N 418.725 3.292 0 40 HGAB C[C@@H](CN1CCOCC1)C(=O)N[C@@H](CCc1ccccc1)c1ccc2c(c1)OCCO2 19456280 SVCOQXYWYFMBTM-UGKGYDQZSA-N 424.541 3.216 0 40 HGAB CCCn1ncc(C(=O)N2CCC(c3ccnc4nc(C(F)(F)F)nn34)CC2)c1C 19525866 VYGMEFMGDXIGLO-UHFFFAOYSA-N 421.427 3.078 0 40 HGAB Cc1cc(C)c2[nH]c(C)c(CN3CCN(Cc4ccc5c(c4)OCO5)CC3)c(=O)c2c1 19793696 JIUSBVUYCQJCIY-UHFFFAOYSA-N 419.525 3.500 0 40 HGAB CC(=O)N1CCN([C@H](C(=O)O)c2c[nH]c3cc(OCc4ccccc4)ccc23)CC1 20722470 WWSIINVAUYZWQB-QFIPXVFZSA-N 407.470 3.037 0 40 HGAB Cc1cccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)c1C 21308732 ILRSAONFNUKKSN-QGZVFWFLSA-N 402.516 3.494 0 40 HGAB CCOc1ccc(C)cc1S(=O)(=O)Nc1ccc2c(c1)N(C(=O)COC)CCC2 21756861 PDZNAGMEWWPHRO-UHFFFAOYSA-N 418.515 3.120 0 40 HGAB COC(=O)C1CCN([C@H](c2ccc(C)cc2)c2sc3nc(C)nn3c2O)CC1 23156859 UMFWORAVHKSVQX-MRXNPFEDSA-N 400.504 3.088 0 40 HGAB O=C(/C=C/c1ccc2c(c1)CCO2)Nc1cccc(S(=O)(=O)NCc2ccco2)c1 26067217 OMLRKNCVIUVDIV-VQHVLOKHSA-N 424.478 3.345 0 40 HGAB O=C(c1cc2ccccc2[nH]1)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@H]1CCCO1 27287622 JFMSGHSBNXHRNZ-MRXNPFEDSA-N 402.454 3.226 0 40 HGAB CS(=O)(=O)c1ncc(Br)c(C(=O)Nc2ccc3ccccc3c2)n1 27745372 YQSYMUIJWPFKLZ-UHFFFAOYSA-N 406.261 3.048 0 40 HGAB Cc1cc(C)c(NC(=O)CN(C)[C@H]2CC(=O)N(c3c(C)cccc3C)C2=O)c(C)c1 28894963 ADJDMRRAYIYUJM-IBGZPJMESA-N 407.514 3.431 0 40 HGAB COc1ccc(C)cc1CN(C)[C@H](C)C(=O)Nc1sc2c(c1C(N)=O)CCC2 29158885 NNJAVYXVBJUJCX-CYBMUJFWSA-N 401.532 3.112 0 40 HGAB O=C(/C=C/c1ccc(Br)cc1)NCc1cccnc1N1CCOCC1 32017668 NNYLKTQHQYEXQG-VMPITWQZSA-N 402.292 3.010 0 40 HGAB O=C(NC1CCN(Cc2ccccc2)CC1)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 32074647 ZQIMOHWIJKBCEN-GOSISDBHSA-N 411.933 3.474 0 40 HGAB O=S1(=O)C[C@@H]2N=C(SCCOc3ccccc3)N(c3ccc(Cl)cc3)[C@H]2C1 32640634 MROXPKWLEDHAPG-ROUUACIJSA-N 422.959 3.494 0 40 HGAB CCN([C@@H](C)c1cccc(OC)c1)S(=O)(=O)c1ccc(OC)c(NC(C)=O)c1 32927445 XITLURPKNHSBTF-AWEZNQCLSA-N 406.504 3.434 0 40 HGAB COc1ccc2[nH]c(=O)c([C@H]3c4cc(OC)c(OC)cc4CCN3C(C)=O)cc2c1 35313404 AUBSGPLWECQIGJ-JOCHJYFZSA-N 408.454 3.048 0 40 HGAB COc1ccc(-c2noc(-c3ccc(S(=O)(=O)NC(C)(C)C)o3)n2)cc1OC 36360174 RLHXWHOCIPYXSY-UHFFFAOYSA-N 407.448 3.091 0 40 HGAB COc1ccc(-c2cc(C(=O)N[C@@H](C)c3cnn(C)c3C)c3c(C)nn(C)c3n2)cc1 36613350 AARJUCSABOGDBJ-ZDUSSCGKSA-N 418.501 3.485 0 40 HGAB CCCn1cc(CNC(=O)c2cc(-c3ccc(OC)cc3)nc3c2c(C)nn3C)cn1 36616397 UVGBFMHUUYAODO-UHFFFAOYSA-N 418.501 3.489 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)Cc1cc(C)ccc1C 38752379 SXBXTHTUFAIRDN-UHFFFAOYSA-N 402.516 3.278 0 40 HGAB C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)[C@H]1CC(=O)N(C2CC2)C1 40040602 KXLZEKYOOUDVOA-APWZRJJASA-N 405.498 3.469 0 40 HGAB Cc1ccc(NC(=O)CCCN2C(=O)c3ccccc3N3C(=O)CC[C@]23C)c(O)c1 40144730 PBEQRAOOLKJMNF-HSZRJFAPSA-N 407.470 3.418 0 40 HGAB CN1C(=O)N(CC(=O)O[C@@H](c2ccccc2)c2ccccn2)C(=O)C12CCCCC2 44613189 RKMSHAWGIJDZRS-FQEVSTJZSA-N 407.470 3.311 0 40 HGAB COC(=O)c1cccc(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)c1C 44625075 KCGUMMOQADZZEC-UHFFFAOYSA-N 416.499 3.209 0 40 HGAB Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)NCc3ccc(C)nc3)CC2)c(C)c1 47557162 LETALNMIRKEZDF-UHFFFAOYSA-N 415.559 3.032 0 40 HGAB O=C(CSc1ccc(C(=O)N2CCCC2)cn1)Nc1ccc2c(c1)OC(F)(F)O2 48310509 XPBMNDMRDKZRDQ-UHFFFAOYSA-N 421.425 3.370 0 40 HGAB O=C(Cc1cc(Cl)c2c(c1)OCCCO2)N1CCN(C(=O)c2ccccc2)CC1 48333747 VPMMULNMUGRWEX-UHFFFAOYSA-N 414.889 3.028 0 40 HGAB COc1cccc(N2CCN(CC(=O)N3CCc4[nH]c5ccccc5c4C3)C[C@H]2C)c1 57054219 UZNWOOZQQLYNAH-GOSISDBHSA-N 418.541 3.272 0 40 HGAB CCOC(=O)[C@@H](CNS(=O)(=O)c1c(C)cc(OC)cc1C)Cc1ccccc1 58029850 JSCMGHZMWXDDEG-GOSISDBHSA-N 405.516 3.012 0 40 HGAB COCCn1ccc2cc(NS(=O)(=O)c3cc(C(=O)OC)ccc3C)ccc21 58166274 WETCMBWKZQKBQE-UHFFFAOYSA-N 402.472 3.184 0 40 HGAB Cc1cnn(-c2ccc(C(=O)Nc3ccccc3N3CCC(C(N)=O)CC3)cc2)c1 58428428 UCTJGYPNVJRYNJ-UHFFFAOYSA-N 403.486 3.135 0 40 HGAB CCN(CC)C(=O)CN(C)C(=O)c1cccc(OCc2cn3cc(C)ccc3n2)c1 58557682 IVLMVNIECDSRKC-UHFFFAOYSA-N 408.502 3.162 0 40 HGAB COc1cccc(OC)c1C(=O)NC(=S)Nc1c(Cl)ccc2nsnc12 59294537 ABOLUZZLFXDFEI-UHFFFAOYSA-N 408.892 3.489 0 40 HGAB COc1ccc(NC(=O)c2nnn(CC(=O)Nc3cccc(SC)c3)c2C)cc1 67322634 XPBBDVGQICSZPU-UHFFFAOYSA-N 411.487 3.208 0 40 HGAB Cc1nnnn1-c1ccc(C(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1 71280620 OHZAGOQKJGOBSM-UHFFFAOYSA-N 417.300 3.240 0 40 HGAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c2c1[C@H](c1cccc(OC(C)C)c1)CC(O)=N2 71281720 QPLFKMISAPXYEK-WBVHZDCISA-N 403.504 3.462 0 40 HGAB COc1cccc(CN2CCC[C@@H](c3cc(=O)[nH]c(-c4ccncc4)n3)C2)c1OC 72392933 OTTCTUAOCBRXAR-QGZVFWFLSA-N 406.486 3.229 0 40 HGAB C[C@@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)Cn1cnc2c(oc3ccccc32)c1=O 78974657 RCYLTGZDQLXSCE-NGFNCXNUSA-N 423.494 3.100 0 40 HGAB Cc1cc(=O)oc2c3c(cc(OCC(=O)NCCc4ccncc4)c12)OC(C)(C)CC3 79192231 GWPHLTLUDUMBCR-UHFFFAOYSA-N 422.481 3.338 0 40 HGAB biogenic O=C([C@@H]1CC(=O)N(c2ccccc2)C1)N1CCC(Oc2cnc3ccccc3n2)CC1 90678453 CTXPEGCHCMBWAL-QGZVFWFLSA-N 416.481 3.053 0 40 HGAB O=C(NCCc1cnc[nH]1)c1cn(-c2cc(F)c(F)c(F)c2)c(=O)c2ccccc12 95477838 LBHIDEBYKKVERM-UHFFFAOYSA-N 412.371 3.104 0 40 HGAB Cn1c(=O)oc2ccc(S(=O)(=O)N(CCc3cccs3)Cc3ccco3)cc21 96025726 SCGAGGMJIXNTQO-UHFFFAOYSA-N 418.496 3.220 0 40 HGAB Cc1cc(NC(=O)[C@@H]2Oc3c(c(=O)oc4ccccc34)[C@@H]2c2ccc(O)cc2)no1 96113807 MULPZSDJRFODPF-FXAWDEMLSA-N 404.378 3.327 0 40 HGAB biogenic O=C(Nc1ccnn1C1CCCC1)c1cccc(S(=O)(=O)NC2CCCC2)c1 96402297 GZPICZNIAJDXQD-UHFFFAOYSA-N 402.520 3.471 0 40 HGAB Cc1ccc(N2C(=O)C[C@H](c3c(C)nn(-c4nc5ccccc5[nH]4)c3O)C2=O)cc1C 100069122 RYFFIZAZUARSCI-MRXNPFEDSA-N 415.453 3.427 0 40 HGAB COc1cccc2c1O[C@@]1(C)C[C@H]2[C@@H](S(=O)(=O)c2ccc(C(C)C)cc2)C(=O)N1 100894825 OAYRAZLHULNSPC-ZNLUXHQJSA-N 415.511 3.373 0 40 HGAB CCOC(=O)c1c(NC(=O)CCN2C(=O)[C@H]3CCCC[C@H]3C2=O)sc(C)c1C 102336782 UDJAGRFLWOCPFI-OKILXGFUSA-N 406.504 3.045 0 40 HGAB Cc1c(I)cnn1CCC(=O)N[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 102629676 LDQPVAHCGFAWEQ-SAXRGWBVSA-N 401.292 3.127 0 40 HGAB Cc1ccc(S(C)(=O)=O)cc1C(=O)/N=c1/sccn1Cc1ccccc1F 102901922 ISFXAVIEYPATNQ-XUTLUUPISA-N 404.488 3.190 0 40 HGAB CC[C@@H](C(=O)NCCCc1cccc(OC)c1)N(c1ccc(F)cc1)S(C)(=O)=O 219111349 MMKDMBZIYCQSDW-FQEVSTJZSA-N 422.522 3.128 0 40 HGAB COCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1 222769093 UOQPAVPIKLELNW-KRWDZBQOSA-N 402.922 3.453 0 40 HGAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CN(Cc1ccccc1)S(C)(=O)=O 223300764 GEBGYJFTDGEWMZ-IBGZPJMESA-N 416.543 3.175 0 40 HGAB CC(C)n1c(=O)sc2cc(NC(=O)c3ccccc3N(C)S(C)(=O)=O)ccc21 225144574 PXECUFDSGZMGPY-UHFFFAOYSA-N 419.528 3.292 0 40 HGAB COC(=O)c1cccc(S(=O)(=O)NCCSCc2c(F)cccc2Cl)c1 225487495 QMMWLQDSBFHUJY-UHFFFAOYSA-N 417.911 3.477 0 40 HGAB COc1ccc(-n2ccn3c(=O)n(Cc4ccccc4Cl)nc3c2=O)cc1Cl 225546623 BLOXKDHIUSSFCH-UHFFFAOYSA-N 417.252 3.011 0 40 HGAB CO[C@H]1CN(CC(=O)Nc2cccc(-c3csc(C)n3)c2)CC[C@]12CCCO2 257222675 DUGWAVPNCVMBHJ-PZJWPPBQSA-N 401.532 3.327 0 40 HGAB COc1ccc(CC(=O)NC[C@H]2CC[C@H](c3n[nH]c4nccnc43)CC2)cc1OC 257233788 GQSPWHXOCVYVKS-KOMQPUFPSA-N 409.490 3.003 0 40 HGAB CN(C)C(=O)c1sc2ncccc2c1[C@@H]1CCCN(C(=O)c2ccc(O)nc2)C1 257254860 KEZFWFVOKWWUHL-CQSZACIVSA-N 410.499 3.119 0 40 HGAB COc1cccc(-c2cncc([C@H]3CN(CC(=O)Nc4ccc(F)cc4)CCO3)n2)c1 257317185 VISDCQLKDBBGAI-JOCHJYFZSA-N 422.460 3.303 0 40 HGAB CCc1nc(C)c(C(=O)N2CCO[C@@H](c3cc(Nc4nncs4)cc(C)n3)C2)o1 257318551 VOJRKZGCQYTHRP-OAHLLOKOSA-N 414.491 3.058 0 40 HGAB C[C@]1(O)CN(C(=O)c2ccc(OCCN3CCCC3)cc2)CC[C@@H]1Oc1ccccc1 257334921 YHWCDQCKCWBYFO-ZCYQVOJMSA-N 424.541 3.206 0 40 HGAB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NC(C)C)c1ccc(Cl)cc1 408528094 CLNTZBODJKZNSO-UHFFFAOYSA-N 410.923 3.377 0 40 HGAB COc1ccccc1CNC(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O 408906634 CONBOAMSOXGFBH-UHFFFAOYSA-N 417.314 3.084 0 40 HGAB O=C(CSCC(=O)N[C@@H]1C[C@H]1Cc1ccccc1)N[C@@H]1C[C@@H]1Cc1ccccc1 534527741 QYUUSKJCZAPHFQ-CIAFKFPVSA-N 408.567 3.214 0 40 HGAB FC(F)(F)c1nnc(CN2CC[C@@H](COc3ccc(-c4ccccc4)nn3)C2)o1 1888897555 UYUXPJKOGKDRLT-CYBMUJFWSA-N 405.380 3.446 0 40 HGAB Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1cccc(Br)c1)Nc1ccccc1O2 1275861 JLSNGXBZSUADQK-MRXNPFEDSA-N 414.259 3.154 0 40 HGAB COc1ccc(OCc2nnc3n2N=C(c2ccc(OC)c(OC)c2)CS3)cc1 1417185 HKXIJAJOOCLDAT-UHFFFAOYSA-N 412.471 3.241 0 40 HGAB COc1cccc(NC(=O)CSc2nnc(-c3cnccn3)n2-c2ccccc2)c1 2242169 AFVXATCFVQQFKP-UHFFFAOYSA-N 418.482 3.464 0 40 HGAB O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)OCC(=O)c1ccccc1 3239424 CWPKJZFKHCSGCT-UHFFFAOYSA-N 415.511 3.220 0 40 HGAB CCOC(=O)c1sc2nc(C)nc(N3CCN(C(=O)c4ccco4)CC3)c2c1C 3255206 DVCFHBVLLSUQOK-UHFFFAOYSA-N 414.487 3.040 0 40 HGAB Cc1ccc(NC(=O)COC(=O)Cn2cnc3ccccc32)c(Br)c1 3279949 JXKSMMHCJQAVMQ-UHFFFAOYSA-N 402.248 3.289 0 40 HGAB C[C@H]1CCC[C@H](C)N1C(=O)COC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 3480957 BWBVZNCYUYVMMY-HOTGVXAUSA-N 420.465 3.434 0 40 HGAB COc1ccc(N2C[C@@H](NC(=O)COc3ccc4ccccc4c3)CC2=O)cc1OC 4497674 XTXURSMHASRSOU-SFHVURJKSA-N 420.465 3.158 0 40 HGAB CC(=O)c1cccc(NC(=O)[C@H](C)OC(=O)C[C@H]2Sc3ccccc3NC2=O)c1 4539802 XNJHLOJFCMQTTR-SCLBCKFNSA-N 412.467 3.263 0 40 HGAB Cc1ccc2cc([C@@H]3CC(c4ccccc4)=NN3C(=O)CCC(=O)O)c(=O)[nH]c2c1 4863649 DOIOVNGUJOPLFR-FQEVSTJZSA-N 403.438 3.379 0 40 HGAB CCOc1ccccc1NC(=O)COC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 4942452 DOKWWUGHGSDQBB-AWEZNQCLSA-N 416.861 3.274 0 40 HGAB Cc1ccc2[nH]c(C3CCN(CC(=O)Nc4ccc5c(c4)OCCO5)CC3)nc2c1 5054734 LKTKTXFZAAAXQC-UHFFFAOYSA-N 406.486 3.461 0 40 HGAB COc1ccc(-c2nnc(SCC(=O)Nc3cccc(C)c3C)n2N)cc1OC 5257267 XFPRKVBPFCDXNP-UHFFFAOYSA-N 413.503 3.024 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccccc1OC 5558954 IYHBURXILFOJIA-UHFFFAOYSA-N 404.488 3.131 0 40 HGAB Cc1ccc(CNC(=O)COc2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1 6368719 LFBTZFPIHXHNKL-UHFFFAOYSA-N 410.495 3.491 0 40 HGAB O=C(NCCNC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1)c1cnccn1 6661172 LDZMJSZRXUQLPO-UHFFFAOYSA-N 405.241 3.203 0 40 HGAB Cc1ccc2c(c1)[C@](O)(c1c(C)nn(-c3ccccc3C(F)(F)F)c1N)C(=O)N2 6934793 BZCCRENKGRLZEB-IBGZPJMESA-N 402.376 3.278 0 40 HGAB O=C(Cn1cnc2ccc(Br)cc2c1=O)N1CC[C@@H]2CCCC[C@@H]2C1 7328220 RXSABHVEDHPQST-UONOGXRCSA-N 404.308 3.198 0 40 HGAB CC(C)[C@@H](NC(=O)c1ccccc1S(C)(=O)=O)c1ccc2c(c1)OCCCO2 7985599 YQQCKFWQVBCTMS-HXUWFJFHSA-N 403.500 3.379 0 40 HGAB CN1CCN(C(=O)c2ccccc2NC(=O)COc2ccc(C(C)(C)C)cc2)CC1 8073486 TVTOUEBWALCTON-UHFFFAOYSA-N 409.530 3.389 0 40 HGAB CS(=O)(=O)c1ccc(-c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)nn1 9650556 JXZSWJVAOYQTFI-UHFFFAOYSA-N 423.903 3.001 0 40 HGAB O=C(Nc1ccc2c(c1)OCO2)[C@@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1 9698517 DTYUPIXWTDYEFS-IBGZPJMESA-N 424.478 3.360 0 40 HGAB COc1ccc(N(CC(=O)NCCCc2cccc(C)c2)S(C)(=O)=O)cc1Cl 10110697 WZZOIDCOAKVLAQ-UHFFFAOYSA-N 424.950 3.172 0 40 HGAB Cc1ccc(S(=O)(=O)CCCC(=O)Nc2c(C(N)=O)oc3ccccc23)cc1 10218560 OTRCOFHSUZFMAK-UHFFFAOYSA-N 400.456 3.033 0 40 HGAB O=C(C[C@@H]1C(=O)Oc2ccccc2N1C(=O)COc1ccccc1)Nc1ccccc1 10384967 LJRPEJZPLLSDCF-HXUWFJFHSA-N 416.433 3.415 0 40 HGAB COC(=O)c1cc(NC(=O)CNc2ccccc2Br)cc(C(=O)OC)c1 11621239 BVYMIVBWCJYTQF-UHFFFAOYSA-N 421.247 3.073 0 40 HGAB Cc1cc2ncn(CC(=O)Nc3cccc(S(=O)(=O)N4CCCC4)c3)c2cc1C 12527017 SZGINQNMCUVBKL-UHFFFAOYSA-N 412.515 3.076 0 40 HGAB CC(C)Cn1c(S[C@H](C)C(=O)Nc2ccccc2F)nnc1N1CCOCC1 12774175 NNDOQHYHACZZCK-CQSZACIVSA-N 407.515 3.029 0 40 HGAB Cn1cc(C(=O)OCC(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cc2)cn1 12852345 AOHMIEWOORYNRU-UHFFFAOYSA-N 412.833 3.121 0 40 HGAB CCC[C@@H](NC(=O)Cc1c(C)c2cc3c(cc2oc1=O)OC(C)(C)CC3)C(=O)O 12901670 RKAINKLEGYCBEY-MRXNPFEDSA-N 401.459 3.117 0 40 HGAB biogenic COC(=O)c1ccc(S(=O)(=O)N[C@H](c2ccc3c(c2)OCCCO3)C(C)C)cc1 12979494 QGIJLCZHEANRMS-FQEVSTJZSA-N 419.499 3.310 0 40 HGAB COc1ccc([C@H](CNC(=O)N[C@H](C)c2ccccc2)N2CCOCC2)cc1OC 12981722 WLLXCEGJWMEBKX-XLIONFOSSA-N 413.518 3.138 0 40 HGAB CCN(CC(=O)Nc1cccc(Cl)c1C)S(=O)(=O)c1cc(F)ccc1OC 13581184 HCUJUJIUEAWCGK-UHFFFAOYSA-N 414.886 3.445 0 40 HGAB O=C(COc1ccc(Cl)cc1)Nc1ccc2c(c1)N(C(=O)[C@H]1CCCO1)CC2 13695510 PVQMGAZJLKLLDY-LJQANCHMSA-N 400.862 3.426 0 40 HGAB O=C(CSc1nnnn1C1CCCC1)Nc1ccccc1C(=O)NC1CCCC1 13987510 VIZCRFLNOMQVTH-UHFFFAOYSA-N 414.535 3.191 0 40 HGAB COc1ccc(Br)cc1S(=O)(=O)Nc1ccc(C(=O)O)cc1C 14097353 ATGNFCIMUPRKGA-UHFFFAOYSA-N 400.250 3.265 0 40 HGAB O=c1c2c3c(sc2ncn1C[C@H](O)COc1ccc(Br)cc1)CCC3 14184121 XZILHXWWTLKZJA-LBPRGKRZSA-N 421.316 3.149 0 40 HGAB Cc1cc(C(=O)Nc2c(C(=O)N3CCOCC3)oc3ccccc23)c2c(C)noc2n1 14337300 XGTHCWGZWQZHRZ-UHFFFAOYSA-N 420.425 3.311 0 40 HGAB O=C(c1ccc(N2CCCCC2)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 14397665 UYPJBNKWANPNKB-UHFFFAOYSA-N 407.514 3.364 0 40 HGAB CCCCn1c(N)c(N(CCC(C)C)C(=O)/C=C/c2ccc(F)cc2)c(=O)[nH]c1=O 14623611 WLMSQRIDHFSTMW-DHZHZOJOSA-N 416.497 3.151 0 40 HGAB COc1cccc(NC(=O)c2ccccc2NS(=O)(=O)c2c(C)n[nH]c2C)c1 15480319 AQPFHVWREADOEX-UHFFFAOYSA-N 400.460 3.088 0 40 HGAB Cc1cc(C)cc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)c1 15591574 ZNYKGWSXQOCVPW-UHFFFAOYSA-N 408.907 3.230 0 40 HGAB Cc1noc(C)c1S(=O)(=O)N(C)CC(=O)c1cc(C)n(Cc2cccs2)c1C 19296507 NRRIWNZPSBIHSV-UHFFFAOYSA-N 421.544 3.323 0 40 HGAB CC(C)c1cc(C(F)(F)F)c2c([C@H]3CCCN(C(=O)Cn4cncn4)C3)noc2n1 19452046 ULODZIPKEQIKON-LBPRGKRZSA-N 422.411 3.363 0 40 HGAB Cc1sc2ncn(CC3(O)CCN(Cc4cccc(F)c4)CC3)c(=O)c2c1C 19561558 FFUSKMLOMBDLKB-UHFFFAOYSA-N 401.507 3.241 0 40 HGAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccc(F)c(F)c2F)cc1Cl 20016213 DXKLOQDRAYMCCU-MRVPVSSYSA-N 422.812 3.071 0 40 HGAB CC[C@H](C)NS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(F)c(F)c2F)cc1 20019639 QITYPBCUUFRJPK-NSHDSACASA-N 416.421 3.198 0 40 HGAB COC(=O)c1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl 20061851 LETFKGXNKKSVIA-UHFFFAOYSA-N 422.890 3.163 0 40 HGAB CC(=O)N1CCN([C@@H](C(=O)O)c2c[nH]c3cc(OCc4ccccc4)ccc23)CC1 20722467 WWSIINVAUYZWQB-JOCHJYFZSA-N 407.470 3.037 0 40 HGAB COc1ccc([C@@H](CNC(=O)CSCC(=O)Nc2cccc(C)c2)N(C)C)cc1 21912227 YKLIZVKPCKQVCD-HXUWFJFHSA-N 415.559 3.094 0 40 HGAB Cc1cccc(N(CC(=O)NCCCc2ccc(OC(C)C)cc2)S(C)(=O)=O)c1 22327281 CZNPFFXWYCYPAN-UHFFFAOYSA-N 418.559 3.297 0 40 HGAB O=C(NC[C@@H](c1ccco1)N1CCc2ccccc2C1)C(=O)Nc1ccccc1F 22907432 KJXFKWWLXQCJBJ-FQEVSTJZSA-N 407.445 3.273 0 40 HGAB Cn1ccnc1C(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)cc1 23270375 MMGDPRSREGBKLL-OAHLLOKOSA-N 422.872 3.296 0 40 HGAB CSc1ccc(N2C[C@H](C(=O)NC[C@H]3CCN(c4ccccc4)C3)CC2=O)cc1 24813872 IRWYXPLYFCYTDI-QZTJIDSGSA-N 409.555 3.404 0 40 HGAB COc1cccc([C@@H](CNC(=O)c2ccc3c(c2)CCN3C(C)=O)N2CCCC2)c1 27342256 DUCKEYLTFWCLCI-HSZRJFAPSA-N 407.514 3.171 0 40 HGAB CCN(CC)[C@@H](CNC(=O)c1ccc2c(c1)C(=O)N(C)C2=O)c1ccccc1Cl 27579837 SZBNBAMHPRWBPA-IBGZPJMESA-N 413.905 3.379 0 40 HGAB COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cc(Cl)c2c(c1)OCCO2 32716610 RARKEVMHLDREPL-KRWDZBQOSA-N 414.845 3.107 0 40 HGAB O=C(OCc1csc(COc2ccc(F)cc2)n1)c1cccc(-n2cnnn2)c1 32776111 NMPNXRGRSFTVFW-UHFFFAOYSA-N 411.418 3.194 0 40 HGAB CC(C)OCCCNC(=O)CS(=O)(=O)Cc1ccccc1Oc1ccccc1 36392186 VOHCUYARTREJFZ-UHFFFAOYSA-N 405.516 3.325 0 40 HGAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ncccc3O)c2)cc1F 36619911 WICONOWIUDXDNB-UHFFFAOYSA-N 401.419 3.288 0 40 HGAB CCN(CC(=O)Nc1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(OC)cc1 39985393 GLNALTWBOPIVMR-UHFFFAOYSA-N 412.895 3.007 0 40 HGAB Cc1ccccc1N1CCN(C(=O)CCn2nc(-c3ccc(F)cc3)ccc2=O)CC1 41252953 FBZYCZIJBLCMJI-UHFFFAOYSA-N 420.488 3.097 0 40 HGAB CCOc1ccccc1N(CC(=O)NCCSc1ccc(C)cc1)S(C)(=O)=O 44791370 HXMCCMYWEUQRPP-UHFFFAOYSA-N 422.572 3.068 0 40 HGAB Cc1noc2nc(-c3cccs3)cc(C(=O)N[C@@H](CC(C)C)C(=O)N(C)C)c12 47223747 HHLVLEVWIAHKQT-HNNXBMFYSA-N 400.504 3.492 0 40 HGAB CC(C)c1ccc(-n2ncc3c(=O)n(CC(=O)NCc4ccc(F)cc4)cnc32)cc1 57486536 UJRJACGWTPEZCJ-UHFFFAOYSA-N 419.460 3.161 0 40 HGAB O=C(Nc1nnc([C@@H]2CC(=O)N(c3ccccc3)C2)o1)c1nc2ccccc2s1 62022968 PMICSCIQXUFWSH-GFCCVEGCSA-N 405.439 3.452 0 40 HGAB Cc1nc(-c2ccccc2)cc2nn(CC(=O)N[C@H](C)CCc3ccccc3)c(=O)n12 65196711 HECIAKUIZKIZDC-QGZVFWFLSA-N 415.497 3.004 0 40 HGAB C[C@H](c1ncnc(Cl)c1F)[C@](O)(Cn1cnc(Cl)n1)c1ccc(F)cc1F 71623869 OSKASUIBSJCIHI-VPTHRUTESA-N 418.206 3.484 0 40 HGAB COc1cccc(OC)c1CN1CCC[C@H](c2cc(=O)[nH]c(-c3cccnc3)n2)C1 72393062 SXPGNPKUYDUINH-KRWDZBQOSA-N 406.486 3.229 0 40 HGAB COc1cc(NC(=O)c2cc3c(OC)ccc(OC)c3n2C)cc(OC)c1OC 72402693 VFBLGLOTOHTVFL-UHFFFAOYSA-N 400.431 3.474 0 40 HGAB CCOc1ccc(NC(=O)[C@H]2CC23CCOCC3)cc1S(=O)(=O)N1CCCCC1 79000335 KVNZFYGTLLQAJF-QGZVFWFLSA-N 422.547 3.015 0 40 HGAB CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@H]1C(=O)NCC[S@@](=O)c1ccccc1 79055130 LDFIKSFHJFUMHG-AYEUKFJJSA-N 408.564 3.384 0 40 HGAB O=C1Cc2cc(S(=O)(=O)Nc3cc(Cl)ccc3OC[C@H]3CCCO3)ccc2N1 84490241 SPDXWXHBZKWTDZ-CQSZACIVSA-N 422.890 3.193 0 40 HGAB CC(C)n1cnc2c1[C@H](C(=O)NCCc1cccc(F)c1)N(Cc1cccnc1)CC2 96147252 APPCVDCXJMJZIH-HSZRJFAPSA-N 421.520 3.456 0 40 HGAB O=Cc1ccccc1OC(=O)c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@@H]3C2=O)c1 100397788 RFLWIOWPGUENSI-SOJYOXCPSA-N 413.429 3.276 0 40 HGAB COc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccc(O)cc4)[C@@H]3C2=O)cc1 100919583 CSAGVHLTZREPBO-BDTNDASRSA-N 416.433 3.452 0 40 HGAB CCc1c(O)n(-c2ccccc2)c(SCC(=O)Nc2ccccc2OC)nc1=O 102527606 GCDIXZBIRBGYFP-UHFFFAOYSA-N 411.483 3.240 0 40 HGAB C[C@@H](NS(=O)(=O)c1ccc(NC[C@@H]2CCCO2)c(C(=O)O)c1)c1ccccc1 217611529 UNEIYYKGIRGHEZ-ZBFHGGJFSA-N 404.488 3.015 0 40 HGAB O=C(NCc1nc(-c2ccccc2Cl)no1)c1ccc(CN2CCCC2=O)cc1 219233539 ZPKXVEYUCGYBTR-UHFFFAOYSA-N 410.861 3.442 0 40 HGAB C[C@H](C(=O)NCCSC1CCCCC1)N(c1ccc(F)c(F)c1)S(C)(=O)=O 220450126 SFJSZILEBLXOES-CYBMUJFWSA-N 420.547 3.301 0 40 HGAB CC[C@@H](C(=O)NCCSC(C)(C)C)N(c1cc(C)ccc1C)S(C)(=O)=O 220539983 GBNCWFHSKAHYFI-INIZCTEOSA-N 400.610 3.496 0 40 HGAB O=C(COc1ccc(I)cc1)NCCSC1CCCC1 222545831 WKGNNHTYKMAEPK-UHFFFAOYSA-N 405.301 3.462 0 40 HGAB COc1ccc(CN(C(=O)COc2ccccc2)[C@H](C)C(=O)NCc2ccco2)cc1 223001561 INAIUROIKBINRR-GOSISDBHSA-N 422.481 3.401 0 40 HGAB CCc1ccccc1NS(=O)(=O)c1nnc(NC(=O)c2ccccc2C)s1 223097973 MVILBMAWKMPNRG-UHFFFAOYSA-N 402.501 3.462 0 40 HGAB CCOc1ccccc1NS(=O)(=O)c1nnc(NC(=O)c2cccc(C)c2)s1 223883316 INZVUBQEIZTOBK-UHFFFAOYSA-N 418.500 3.298 0 40 HGAB COc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(C)Cc3ccco3)cc2)cc1 224085621 USSCXKQUXCVOEO-UHFFFAOYSA-N 400.456 3.361 0 40 HGAB CC(C)Oc1ccc(CCCNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1 225422432 DJBQGDGHKWSTIL-UHFFFAOYSA-N 404.532 3.087 0 40 HGAB COc1ccc(CNC(=S)Nc2cccc(N3CCCC3=O)c2)c(OC)c1OC 225527360 IAJHQCZVAQVICA-UHFFFAOYSA-N 415.515 3.326 0 40 HGAB O=C(NC[C@@](O)(c1ccco1)c1cccs1)C(=O)Nc1ccc(F)c(Cl)c1 238832419 GFRKYKFIOZUDIR-GOSISDBHSA-N 408.838 3.124 0 40 HGAB COc1cccc(O[C@H]2CCN(C(=O)c3cc(C)n(-c4ccccc4)n3)CC[C@@H]2O)c1 257208531 BMNMYVSMWMUDOL-GOTSBHOMSA-N 421.497 3.234 0 40 HGAB O=C(c1ccc(CN2CCCC2)cc1)N1CCC[C@@H]1c1cncc(-n2ccnc2)n1 257334718 YHBWGMNYKHRQKS-OAQYLSRUSA-N 402.502 3.235 0 40 HGAB CCc1ccc(N([C@@H](C)C(=O)N[C@H](C)COc2ccc(C)cc2)S(C)(=O)=O)cc1 260592076 PGTFLQOGABVPRQ-MSOLQXFVSA-N 418.559 3.296 0 40 HGAB Cc1ccccc1CC(=O)N1C[C@H](c2nccs2)[C@]2(CCN(CC(C)C)C2=O)C1 306124715 BXLSKBPVZXPSLF-XXBNENTESA-N 411.571 3.495 0 40 HGAB O=C(COc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1)NC1CC1 408561677 VAJMMJUUKHELLY-UHFFFAOYSA-N 415.298 3.452 0 40 HGAB COc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)N2CCCCCC2)CC1 408597384 YWYFMSPUWMEZLL-UHFFFAOYSA-N 414.955 3.152 0 40 HGAB Cc1ccc(CNC(=O)COc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)cc1 408604281 LSSPVOQSZILPGQ-UHFFFAOYSA-N 416.543 3.111 0 40 HGAB COc1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccccc3)[C@@H]2c2ccc(C)cc2)cc1 409066943 IBAUOPOGWKTMBV-AYHYUOJHSA-O 414.485 3.020 0 40 HGAB O=C(N[C@H](Cn1ccccc1=O)c1ccccc1)N1CCO[C@@H](Cc2ccccc2)C1 508784675 PVZMHNIGQGJTSD-XZOQPEGZSA-N 417.509 3.243 0 40 HGAB COc1ccc(CN2CCC(OC)(c3nc(CC(F)(F)F)no3)CC2)cc1F 555983560 ADOBWCQHYXWSRG-UHFFFAOYSA-N 403.376 3.460 0 40 HGAB CNCC(=O)N1CCC(c2cccc(Nc3ncc(CC(F)(F)F)s3)n2)CC1 643551181 ZQHCJRYGZQBTHH-UHFFFAOYSA-N 413.469 3.312 0 40 HGAB CC(C)(O)[C@@H](Oc1ccccc1)C(=O)N1CCC(n2c(O)nc3ccccc32)CC1 1587666018 FOZCRQHABXZCBT-FQEVSTJZSA-N 409.486 3.124 0 40 HGAB Cc1cn2nc(OCC3CCN(C(=O)Cc4noc5ccccc45)CC3)ccc2n1 1888928843 CKXGANKPTQVHNW-UHFFFAOYSA-N 405.458 3.039 0 40 HGAB Cc1cc(Br)c(NC(=O)C(=S)N2CCOCC2)c(Br)c1 626243 XJIGMMJDQWCEPE-UHFFFAOYSA-N 422.142 3.118 0 40 HGAB CC(=O)Nc1ccc(NC(=S)NC(=O)COc2ccc(Br)cc2)cc1 678421 RFDAPMIRGMEMOO-UHFFFAOYSA-N 422.304 3.300 0 40 HGAB COc1ccc(OC)c(NC(=O)CSc2nc3sc(C)c(C)c3c(=O)[nH]2)c1 1368245 BQZKUQFVSXIVTB-UHFFFAOYSA-N 405.501 3.349 0 40 HGAB Cc1ccc(S(=O)(=O)C[C@@](C)(O)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 1388629 OOORFTSUBJMPJT-QGZVFWFLSA-N 401.406 3.177 0 40 HGAB C[C@@](O)(CS(=O)(=O)Cc1ccccc1)C(=O)Nc1ccc(Cl)cc1Cl 1388663 JFRLJFSARJMTRB-QGZVFWFLSA-N 402.299 3.298 0 40 HGAB CCC[C@H](NC(=O)COc1ccc2c(C)c(Cc3ccccc3)c(=O)oc2c1)C(=O)O 2094544 UEOYYHPYQFKHHO-FQEVSTJZSA-N 423.465 3.441 0 40 HGAB biogenic CCc1ccc2nc(NC(=O)CN3C(=O)N[C@@]4(CCCC[C@@H]4C)C3=O)sc2c1 3324806 BAVLPEXGJQPLHH-FKIZINRSSA-N 400.504 3.298 0 40 HGAB CC1CCC2(CC1)NC(=O)N(CC(=O)Nc1ccc(Br)cc1F)C2=O 3362644 VBUDATGNGGTZKW-UHFFFAOYSA-N 412.259 3.027 0 40 HGAB C[C@H](OC(=O)c1ccc(NC(N)=O)cc1)C(=O)Nc1nc(-c2ccccc2)cs1 3408511 PSBDLMHIYAUEBK-LBPRGKRZSA-N 410.455 3.485 0 40 HGAB COc1ccc(CNC(=O)[C@H]2N3C(=O)c4ccccc4[C@H]3SC2(C)C)cc1OC 4081888 PHDHAJHGGVGUEH-WIYYLYMNSA-N 412.511 3.369 0 40 HGAB biogenic CCOc1ccc(C2=NC3=NC(C)=C(C(N)=O)[C@H](c4ccccc4Cl)N3N2)cc1 4279804 XULVHRHUYWVPIN-SFHVURJKSA-N 409.877 3.176 0 40 HGAB Cc1ccc(S(=O)(=O)CCC(=O)OCC(=O)N(Cc2ccccc2)C(C)C)cc1 4285380 REZKWCLKBPBEDW-UHFFFAOYSA-N 417.527 3.139 0 40 HGAB CC(C)(C)c1ccc(C(=O)NCc2nnc(SCC(=O)NC3CCCC3)o2)cc1 4354256 FHLFZVIAUUCBFO-UHFFFAOYSA-N 416.547 3.448 0 40 HGAB CCCNC(=O)N1CCN(c2ncnc3c(-c4ccc(F)cc4)nsc23)CC1 4785013 APZYNZCGLSSDAX-UHFFFAOYSA-N 400.483 3.134 0 40 HGAB COc1ccc(N2C[C@H](C(=O)Nc3c4c(nn3C(C)(C)C)CSC4)CC2=O)cc1 5077207 YXBZYFQWMQEECR-CYBMUJFWSA-N 414.531 3.385 0 40 HGAB CC1=C(C(=O)NCc2ccccc2)[C@@H](c2ccc(C(F)(F)F)cc2)n2nnnc2N1 5275012 DWYLUNBBDVZNLH-QGZVFWFLSA-N 414.391 3.297 0 40 HGAB COc1ccc(OC)c([C@H]2N=C(Nc3ccc(F)cc3)Nc3nc(C)cc(=O)n32)c1 5451247 SWCFFLVYXURXLA-IBGZPJMESA-N 409.421 3.149 0 40 HGAB COc1ccc(NC(=O)COn2nnc3ccc(C(F)(F)F)cc32)cc1Cl 5458901 DTQCLXSXVXETGZ-UHFFFAOYSA-N 400.744 3.179 0 40 HGAB CC(=O)Nc1ccc(C(=O)NCc2nnc3c(C(F)(F)F)cc(Cl)cn23)cc1 5484566 XLBODSOGNMWHKP-UHFFFAOYSA-N 411.771 3.290 0 40 HGAB COc1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2OC)cc1 5558963 MHICBMDBRFEELV-UHFFFAOYSA-N 404.488 3.131 0 40 HGAB C[C@H]1CCC[C@@H](NC(=O)COC(=O)c2ccc(I)cc2)[C@@H]1C 5838964 AWURNTZRMJTBRE-YWPYICTPSA-N 415.271 3.389 0 40 HGAB COC(=O)COc1ccc(S(=O)(=O)Nc2ccccc2SC)cc1Cl 6362100 MZGYVSZJVJJMQW-UHFFFAOYSA-N 401.893 3.415 0 40 HGAB O=C(c1cc2ccccc2cc1OCC(=O)N1CCc2ccccc21)N1CCOCC1 6785452 JKGSFTHSTWPUEZ-UHFFFAOYSA-N 416.477 3.280 0 40 HGAB O=C(CSc1nc2ncc(Cl)cc2[nH]1)Nc1ccc(N2CCOCC2)cc1 7650794 LOYAPUTWTVRTKY-UHFFFAOYSA-N 403.895 3.179 0 40 HGAB COc1ccccc1[C@H]1[C@@H](C(=O)NCCN(C)C)CCC(=O)N1c1ccc(C)cc1 7987384 NNDOECCHAVBTMV-REWPJTCUSA-N 409.530 3.166 0 40 HGAB COc1cccc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)c1O 8168713 OURGUDRQJCNAHB-NVNXTCNLSA-N 402.403 3.215 0 40 HGAB COCCNC(=O)c1nc(-c2ccc(C)cc2)n(-c2ccc(Br)cc2)n1 8476410 ITLNALURCJLZAY-UHFFFAOYSA-N 415.291 3.381 0 40 HGAB COc1ccc(OC)c(C2=NO[C@@H]3C(=O)N(c4cccc5ccccc45)C(=O)[C@@H]23)c1 8487221 WGXAYLOIOLKDDP-FPOVZHCZSA-N 402.406 3.150 0 40 HGAB COC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)c(F)c1 8810157 YVOKZHSBGJAOMV-LLVKDONJSA-N 400.859 3.045 0 40 HGAB Cc1ccc(N2C(=O)C[C@@H](C(=O)OCC(=O)NCC(C)C)[C@@H]2c2cccs2)cc1 8923988 JUPZNEXOXPFUMV-DYESRHJHSA-N 414.527 3.466 0 40 HGAB O=C1CCc2cc(-c3csc(NC(=O)c4n[nH]c(=O)c5ccccc45)n3)ccc2N1 9476950 DKTBMTXTXOSNSV-UHFFFAOYSA-N 417.450 3.184 0 40 HGAB Cc1nnc(NC(=O)CSc2ncnc3c2cnn3-c2ccc(Cl)cc2)s1 9517684 WQBXIIWYDCKTHQ-UHFFFAOYSA-N 417.907 3.360 0 40 HGAB Cc1cccc(Nc2nc(Nc3ccc4c(c3)OCO4)nc(N3CCOCC3)n2)c1 9708925 ZPUBNRFSFIVYSP-UHFFFAOYSA-N 406.446 3.233 0 40 HGAB CCOCCCNC(=O)c1ccc2c(c1)C[C@H](C)N2S(=O)(=O)c1ccc(C)cc1 10327111 SUWDFUMIGIQQSL-KRWDZBQOSA-N 416.543 3.291 0 40 HGAB Cc1ccnc(Nc2ccc(N3CCN(C(=O)Nc4ccc(F)cc4)CC3)nn2)c1 11696930 UNEBEEZVVIURJC-UHFFFAOYSA-N 407.453 3.417 0 40 HGAB COc1cccc(C2(NC(=O)Cn3ncn4c(cc5ccsc54)c3=O)CCCC2)c1 12146460 CCBHFAQUJNZASN-UHFFFAOYSA-N 422.510 3.305 0 40 HGAB COCCn1c(C)c(C)c(S(=O)(=O)c2ccccc2)c1NC(=O)c1ccncc1 12409144 XWTIDCQIMREFES-UHFFFAOYSA-N 413.499 3.231 0 40 HGAB O=c1[nH]c2ccc(S(=O)(=O)N3CCc4sccc4[C@H]3c3cccs3)cc2[nH]1 12761713 NJVCQQXAOAVMRG-KRWDZBQOSA-N 417.537 3.316 0 40 HGAB Cc1cccc(-c2nnc(SCC(=O)N(C)Cc3ccsc3)n2CC(=O)O)c1 12782292 YQDQPOKRBCWRQD-UHFFFAOYSA-N 416.528 3.150 0 40 HGAB Cc1ccc(C(=O)NCC(=O)NCCSc2ccc(Br)cc2)cc1 12785908 ZEMTULGZOCXSNN-UHFFFAOYSA-N 407.333 3.396 0 40 HGAB C[C@@H](NC(=O)Cc1cccc2ccccc12)C(=O)Nc1ccccc1N1CCOCC1 12801948 YEYRCNPPOXCGGG-GOSISDBHSA-N 417.509 3.362 0 40 HGAB C[C@H](OC(=O)c1ccc(=O)n(Cc2ccccc2)n1)C(=O)Nc1cccc(Cl)c1 12862811 LYKGIALLMQPUOP-AWEZNQCLSA-N 411.845 3.129 0 40 HGAB CCCCCC(=O)N1CCC(c2nc(O)c3nnn(Cc4ccccc4)c3n2)CC1 13083250 XYQCCEFNZDFIFM-UHFFFAOYSA-N 408.506 3.262 0 40 HGAB CC(=O)CCc1ccc(OC[C@H](O)CNC2CCN(Cc3ccccc3)CC2)cc1 13145614 HPVICPOFRQRDQQ-XMMPIXPASA-N 410.558 3.202 0 40 HGAB COc1ccc(OC)c(-c2ccc(=O)n(CCNC(=O)Nc3cc(C)cc(C)c3)n2)c1 13602293 BBHXUUVFPOLFOU-UHFFFAOYSA-N 422.485 3.366 0 40 HGAB COc1ccc(C)cc1NC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c1 14086397 DYKLCFKOXWQLPQ-IYBDPMFKSA-N 418.515 3.054 0 40 HGAB CCc1sc(C(=O)N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)cc1C 14166941 DETOXYFMIXGBAX-UHFFFAOYSA-N 412.964 3.419 0 40 HGAB COc1cccc(CNC(=O)C[C@H]2CCCCN2S(=O)(=O)c2ccc(C)cc2)c1 15390840 ALXHAPKMOQOXDL-LJQANCHMSA-N 416.543 3.253 0 40 HGAB Cc1ccc(Cl)cc1NC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 15992264 BRIGONGIDQOODS-UHFFFAOYSA-N 422.934 3.241 0 40 HGAB O=C(CCn1nc(O)c2ccccc2c1=O)N[C@@H]1CCSc2ccc(Cl)cc21 16299336 ATHOHNJKTPHFGS-MRXNPFEDSA-N 415.902 3.499 0 40 HGAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc(F)c2)cc1Cl 16692711 FKUMDDDVDQBPSB-UHFFFAOYSA-N 400.859 3.137 0 40 HGAB CCOc1ccc(NC(=O)CCc2csc(NC(=O)c3ccc(=O)[nH]c3)n2)cc1 16851292 YNUNEVZBQLHXPY-UHFFFAOYSA-N 412.471 3.054 0 40 HGAB O=C(CCCC1=Nc2ccccc2S(=O)(=O)N1)N1CC=C(c2ccccc2)CC1 17178378 MJZWLIMISRWFJC-UHFFFAOYSA-N 409.511 3.495 0 40 HGAB C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3C[C@H](O)[C@@]21C 17654071 BHQCQFFYRZLCQQ-RTMISGTHSA-N 408.579 3.449 0 40 HGAB biogenic C[C@H](NC(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN12)c1ccc(F)cc1F 18015881 CQBPKZVOPUMDBU-JTQLQIEISA-N 423.466 3.067 0 40 HGAB Cc1cc(-c2cc(=O)n([C@H](C)C(=O)NCCc3ccccc3)nc2-c2ccco2)on1 19121102 CQNGTDUPSYRGRG-MRXNPFEDSA-N 418.453 3.387 0 40 HGAB COc1cccc([C@@H](NC(=O)[C@H]2CC(=O)N(Cc3cccnc3)C2)c2ccccc2)c1 19564868 TXVPPTBAVQCFOQ-URXFXBBRSA-N 415.493 3.345 0 40 HGAB Cc1c(C(=O)N2CCC[C@H](c3nc(O)c4c(n3)CCN(C)C4)C2)oc2ccccc12 19566124 WCSXLYQSEGSFDW-HNNXBMFYSA-N 406.486 3.245 0 40 HGAB CN(C)c1cc([C@@H]2CCCN(C(=O)C[C@H]3CCCCO3)C2)nc(-c2ccncc2)n1 19584546 IAMONUOJZWMPCP-RTBURBONSA-N 409.534 3.270 0 40 HGAB Cc1ccc(-c2csc(NC(=O)CN3CCC(Oc4cnccn4)CC3)n2)cc1 19656737 YBQGSNMAMKYLIP-UHFFFAOYSA-N 409.515 3.390 0 40 HGAB COc1cc(C)c(CN2CCO[C@@H](c3ncncc3-c3noc(C)n3)C2)c(C)c1C 19693770 KCBKNPAABVOBPD-HXUWFJFHSA-N 409.490 3.342 0 40 HGAB CNC(=O)c1ccc(-c2ccc(CNC(=O)Cc3ccc(OC)cc3)cc2)nc1C 19700754 RTTISRMUUIVJSZ-UHFFFAOYSA-N 403.482 3.284 0 40 HGAB Nc1nc2c(cc1C(=O)N1CCCC1)CN(C(=O)CCc1ccc(Cl)cc1)CC2 19701152 ZDXUCSVGULAGPG-UHFFFAOYSA-N 412.921 3.071 0 40 HGAB C[C@H](c1cc(=O)[nH]c(NCc2ccccc2Cl)n1)n1ncc2ccccc2c1=O 19717503 QLPMOEXKJXQBGQ-CYBMUJFWSA-N 407.861 3.355 0 40 HGAB C[C@H]1CCc2onc(C(=O)NCCCN3CCN(c4cccc(Cl)c4)CC3)c2C1 20572078 VTMIOKUMBAQCQL-INIZCTEOSA-N 416.953 3.395 0 40 HGAB O=C(COC(=O)Cn1cnc2sc(-c3ccccc3)cc2c1=O)Nc1ccccc1 21548711 FXYLBCFPJAIAKM-UHFFFAOYSA-N 419.462 3.307 0 40 HGAB COC(=O)c1ccccc1NC(=O)C[C@H]1CCCCN1S(=O)(=O)c1cccs1 22732281 XPHUOOOKZCJXPF-CQSZACIVSA-N 422.528 3.107 0 40 HGAB C[C@H](c1nnc(-c2ccccc2)o1)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 22934909 GDMSINMLFPBTPK-MRXNPFEDSA-N 409.465 3.193 0 40 HGAB CC[C@H](NC(=O)CN1C(=O)N[C@]2(C[C@@H](C)CC(C)(C)C2)C1=O)c1ccc(OC)cc1 23649661 PLGAXPSLGFUTGT-WIRVKHDMSA-N 415.534 3.399 0 40 HGAB COc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(F)cc2)cn1 24970068 QQPSQOYKTXRKOS-UHFFFAOYSA-N 401.419 3.282 0 40 HGAB CS(=O)(=O)Cc1cccc(C(=O)NC[C@@H](c2ccccc2Cl)N2CCCC2)c1 27344599 VOFHURDHUUJSLV-FQEVSTJZSA-N 420.962 3.452 0 40 HGAB CC(C)c1c(C(=O)NCc2ccnc(N3CCOCC3)c2)cnn1Cc1ccccc1 32638174 CSRZEWNGSAWGKG-UHFFFAOYSA-N 419.529 3.216 0 40 HGAB Cc1cc(NC(=O)CCNC(=O)c2ccco2)n(-c2cccc(Br)c2)n1 32832103 DTPAFVRSBPRTPQ-UHFFFAOYSA-N 417.263 3.295 0 40 HGAB C[C@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1c(C(=O)N2CCOCC2)oc2ccccc12 32857729 CCOVVBFUYFLBCY-VLIAUNLRSA-N 422.437 3.072 0 40 HGAB CN(Cc1nc2ccccc2n1C(F)F)C(=O)CCc1nc2ccccc2c(=O)[nH]1 32895235 MOZUAFTTZFGQAG-UHFFFAOYSA-N 411.412 3.259 0 40 HGAB CCc1ccc(NC(=O)[C@@H](CCSC)NC(=O)[C@H]2Cc3ccccc3CN2)cc1 36550280 SFAJBHFFAZTTBJ-NHCUHLMSSA-N 411.571 3.140 0 40 HGAB COc1ccc(NC(=O)CC[C@H]2N=C(O)N([C@@H](C)c3ccccc3)C2=O)cc1OC 36593600 QREZVFSLWIBXDU-WMLDXEAASA-N 411.458 3.309 0 40 HGAB Cc1cc(C)n(C[C@H](C)CNC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)n1 40121538 JZPYVZNLUYNQLD-BEFAXECRSA-N 416.953 3.458 0 40 HGAB CS(=O)(=O)c1nc2ccccc2n1CCC(=O)Nc1ccc(Br)cc1 40127762 IAAKEJGLFHTYRR-UHFFFAOYSA-N 422.304 3.231 0 40 HGAB COc1cc(CNC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)cc(OC)c1OC 44917530 AAPVBLWJLXBJGX-GOSISDBHSA-N 416.493 3.380 0 40 HGAB COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)CN1CCN(c2ccccc2F)CC1 57050849 HODZZGAYBDLJLO-UHFFFAOYSA-N 424.476 3.163 0 40 HGAB Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)N1CCN(CC(F)F)CC1 58209918 ZZMRDHDCKZWSOW-UHFFFAOYSA-N 411.449 3.471 0 40 HGAB O=C(CNC(=O)N1CCN(c2cccc(Cl)c2)CC1)Nc1ccccc1Cl 71285407 VLDZYAIQGKHNEB-UHFFFAOYSA-N 407.301 3.464 0 40 HGAB CC[C@H](C(=O)N1[C@@H](C(=O)O)COC12CCN(Cc1ccccc1)CC2)c1ccccc1 71980614 GEHIEJFHPFJMAP-FCHUYYIVSA-N 422.525 3.485 0 40 HGAB Cc1nc(NC(=O)c2cccc(N3CCCC3=O)c2)ccc1I 79022983 CLCXKLOULWGODR-UHFFFAOYSA-N 421.238 3.374 0 40 HGAB Cc1ncc(S(=O)(=O)Nc2ccc(F)c(-c3nnc4n3CCCCC4)c2)s1 84290655 QLNFCDNNBVBNME-UHFFFAOYSA-N 407.496 3.376 0 40 HGAB O=C(CCc1ccc(C(F)(F)F)cc1)N1CC(S(=O)(=O)Cc2ccco2)C1 96122082 PQTCKBLRMYRCDN-UHFFFAOYSA-N 401.406 3.057 0 40 HGAB COc1cccc(NC(=O)[C@@H]2c3c(ncn3C(C)C)CCN2C(=O)c2cccnc2)c1 96147273 QUARDYXSBHPEDB-NRFANRHFSA-N 419.485 3.246 0 40 HGAB Cc1nc(-c2nc(C(=O)NC[C@@H]3CCCO3)c3ccccn23)cn1Cc1ccccc1 96155166 BLDOEXMDKGMMDZ-IBGZPJMESA-N 415.497 3.463 0 40 HGAB O=C([C@@H]1CC(=O)N(c2n[nH]c3cccc(F)c23)C1)N1CCC(c2ccccc2)CC1 96344316 BLCBRAZGJFOTHU-QGZVFWFLSA-N 406.461 3.461 0 40 HGAB CO[C@H]1CCN(c2ccc(NS(=O)(=O)c3ccccc3Br)cc2)C1 96381903 KFSWUOIDVLHFFG-HNNXBMFYSA-N 411.321 3.475 0 40 HGAB CC(=O)C1=NN(c2ccc(Cl)cc2)[C@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]12 100741301 KJWYRZHDCVSPKG-DOTOQJQBSA-N 402.237 3.317 0 40 HGAB COCCn1/c(=N/C(=O)c2ccc(C(C)=O)cc2)sc2cc(NC(C)=O)ccc21 100873082 BKLSKYATSWCZHC-LNVKXUELSA-N 411.483 3.251 0 40 HGAB O=C(Nc1ccc(F)cc1)C1CCC(N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@@H]3C2=O)CC1 102080823 JQENEYGIGVQUQS-RTULJYDXSA-N 408.473 3.376 0 40 HGAB Cc1ccn(C(=O)COc2cccc(S(C)(=O)=O)c2)/c(=N/C2CCCCC2)c1 103627219 XQFJMXHWTKBDDI-LSDHQDQOSA-N 402.516 3.153 0 40 HGAB COc1cccc(-c2noc(CN(C)C(=O)CCc3ccc(OC)c(OC)c3)n2)c1 219283022 DUNHGQMZOUQUOX-UHFFFAOYSA-N 411.458 3.354 0 40 HGAB CC[C@H](C(=O)NCCSCc1ccco1)N(c1ccccc1F)S(C)(=O)=O 220592794 COESUYCEEBSDGJ-MRXNPFEDSA-N 414.524 3.013 0 40 HGAB CCOC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(OC)c(OC)c1 224795924 XJNCTXOKEPCUMO-UHFFFAOYSA-N 413.879 3.116 0 40 HGAB CCC[C@]1(C(=O)OC)N[C@H](c2cccs2)[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]21 229920702 GDKMBQIZOMERJG-LHUKNYEISA-N 416.474 3.049 0 40 HGAB O=S(=O)(c1ccc(F)c(F)c1)N1CCCC[C@H]1c1nnc(-c2cccnc2)o1 257313191 URIZROKIAIAQIV-INIZCTEOSA-N 406.414 3.326 0 40 HGAB c1cncc(-c2ccc3c([C@@H]4CN(Cc5ccc6c(c5)OCO6)CCO4)nnn3c2)c1 306131198 JYMKDXYXTHKAPD-QFIPXVFZSA-N 415.453 3.094 0 40 HGAB COc1ncccc1CN1C[C@H](c2cn(C(C)C)cn2)[C@@]2(CCN(CC3CC3)C2=O)C1 306136336 PQIVDAGKHXRGNV-HYBUGGRVSA-N 423.561 3.096 0 40 HGAB Cc1cnc(C(=O)N[C@@H]2CCCC[C@@]23CN(Cc2ccc(C)s2)CCO3)cn1 306140207 UMYKQTRSKAHTMK-TZIWHRDSSA-N 400.548 3.099 0 40 HGAB Cn1cc(-c2cnc3c(N4CCN(Cc5ccc(Cl)cc5)CC4)nccn23)cn1 306140680 VAQCLMJHVGZWMD-UHFFFAOYSA-N 407.909 3.105 0 40 HGAB CS(=O)(=O)N(CC(=O)Nc1ccc(Br)cc1F)c1ccccc1F 409328033 YFLVNTFTNTXKOV-UHFFFAOYSA-N 419.247 3.132 0 40 HGAB CCCc1nc(C)c(C(=O)N[C@@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)o1 500421422 ABLSHGFNAAHKMH-CQSZACIVSA-N 409.408 3.485 0 40 HGAB COc1ccc2[nH]cc(C3CCN(C(=O)[C@@]45[C@@H]6[C@H]7C(=O)[C@H]4[C@@H]4[C@@H]7C[C@@H]6[C@H]45)CC3)c2c1 503177415 JJCDULWJRQSVDU-MYTHFZIBSA-N 402.494 3.210 0 40 HGAB O=C(COc1ccccc1)N1CC[C@]2(C1)c1cccn1-c1ncccc1N2CCF 585106750 HLFIFIMYJDVKJB-QHCPKHFHSA-N 406.461 3.168 0 40 HGAB Cc1cc(C)nc(Nc2cc(C)nc([C@@H]3CCCCN3C(=O)/C=C/c3cnc[nH]3)n2)n1 585291582 RYPNCWFXTJUVDL-DVBCCOPCSA-N 418.505 3.426 0 40 HGAB Cn1nccc1/C=C/C(=O)N1CCC[C@@H](Cc2ccnc(Nc3ccccn3)c2)C1 585291606 DORIZQRVYAMSIC-UCFODXPJSA-N 402.502 3.448 0 40 HGAB Cc1cccc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)c1 636847 BUOXHDGFVUSDFT-UHFFFAOYSA-N 415.471 3.418 0 40 HGAB COc1cc(/C=C2/NC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc(OC)c1OC 1142932 ZNNXXBDZEYTOQT-OVCLIPMQSA-N 402.834 3.459 0 40 HGAB CC[C@]1(C)Cc2c(sc3nc(SCC(N)=O)n(-c4ccccc4)c(=O)c23)CO1 2262145 QNHXPXMJEAWARU-HXUWFJFHSA-N 415.540 3.266 0 40 HGAB CC(=O)[C@H]1[C@H](c2ccc(OCc3ccccc3)cc2)NC(=O)N[C@]1(O)C(F)(F)F 4162722 CVDMCJKLBADQIE-JENIJYKNSA-N 408.376 3.076 0 40 HGAB CNC(=O)c1c(NC(=O)CCS(=O)(=O)c2ccccc2)sc2c1CC[C@H](C)C2 4326496 AHDGWJHQIOWEQM-ZDUSSCGKSA-N 420.556 3.035 0 40 HGAB Cc1cc(C)cc(NC(=O)CSc2nc(=O)n(CCCN(C)C)c3c2CCC3)c1 4851833 RHJMHVGNGZVGKJ-UHFFFAOYSA-N 414.575 3.031 0 40 HGAB CC(C)NC(=O)CSc1nc2ccccc2n1CC(=O)N1C[C@H](C)C[C@@H](C)C1 4859321 BZQODSHANMZLPQ-HZPDHXFCSA-N 402.564 3.158 0 40 HGAB Cc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2N2C[C@H](C)O[C@@H](C)C2)cc1 4865488 LYBPKKPDRHMTSV-HOTGVXAUSA-N 412.515 3.353 0 40 HGAB Cc1noc(C)c1COc1ccc(CC(=O)O[C@@H](C)C(=O)NC2CCCC2)cc1 5678694 BPTDOBIGSRQCTH-INIZCTEOSA-N 400.475 3.403 0 40 HGAB COc1ccc(-c2csc(NC(=O)[C@H](C)N3C(=O)c4ccccc4C3=O)n2)cc1 5880838 DBPHKXDXRCILGQ-LBPRGKRZSA-N 407.451 3.442 0 40 HGAB Cc1ccc(S(C)(=O)=O)cc1C(=O)OCc1nnc(-c2ccc(Cl)cc2)o1 6003492 NXADEIJKCMZUKD-UHFFFAOYSA-N 406.847 3.459 0 40 HGAB CCCCn1c(SCC(=O)NC2CCCCC2)nc2cc(S(N)(=O)=O)ccc21 6134501 ZOWAQDOXBAXJEZ-UHFFFAOYSA-N 424.592 3.025 0 40 HGAB COCCn1c(S[C@H](C)C(=O)Nc2ccc(Cl)cn2)nc2ccccc2c1=O 6507549 JKIBGROVYLAQFO-GFCCVEGCSA-N 418.906 3.211 0 40 HGAB COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cc2c(s1)CC[C@@H](C)C2 6657934 QUAJQNDUEPSVEQ-CQSZACIVSA-N 411.527 3.398 0 40 HGAB CN(Cc1cccs1)C(=O)/C=C/c1ccc(S(=O)(=O)NCc2ccco2)cc1 6790289 BWDNMRROVSIKJW-DHZHZOJOSA-N 416.524 3.491 0 40 HGAB CCSc1nnc(NC(=O)[C@@H](CC(C)C)N2C(=O)c3ccccc3C2=O)s1 6833659 SAKMQFAFWDISQQ-CYBMUJFWSA-N 404.517 3.300 0 40 HGAB Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NCCCN3CCCC3)c2)cc1 7071524 KQVNUBNAPQMLCK-UHFFFAOYSA-N 415.559 3.036 0 40 HGAB COc1ccc(C(=O)Nc2ccc(-n3c(C)nc4ncccc4c3=O)cc2)c(OC)c1 7508584 SPEBKQGSXWMVCK-UHFFFAOYSA-N 416.437 3.359 0 40 HGAB C=CCc1cc(/C=C(/C#N)C(=O)NC(N)=O)cc(OC)c1OCc1ccc(F)cc1 8111111 GODXDULDCNBXPP-YVLHZVERSA-N 409.417 3.244 0 40 HGAB CC(C)C[C@H](C(=O)OCc1nnc(-c2ccccc2)o1)N1C(=O)c2ccccc2C1=O 8283484 PSKAHEUAJHIQFJ-GOSISDBHSA-N 419.437 3.491 0 40 HGAB O=C(CN1CC=C(c2ccccc2)CC1)N(C1CCCCC1)[C@H]1CCS(=O)(=O)C1 8516389 CPHYBZOVNFFNQD-QFIPXVFZSA-N 416.587 3.124 0 40 HGAB CCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)CN(C(=O)C2CC2)CC3)cc1F 8977423 FEYYCGGJZBDCLQ-UHFFFAOYSA-N 418.490 3.320 0 40 HGAB CCCn1nc(C(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C)C3)c2ccccc2c1=O 9120193 IUVPJZOCKCSERJ-GFCCVEGCSA-N 424.526 3.344 0 40 HGAB CN(CC(=O)Nc1nc(-c2cccnc2)cs1)S(=O)(=O)c1ccc(Cl)cc1 9124970 YZLKDZDBEGHTJR-UHFFFAOYSA-N 422.919 3.118 0 40 HGAB CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)c1cncn1-c1ccc(F)cc1 9378388 YVVCSFUAVQZCGF-UHFFFAOYSA-N 423.448 3.071 0 40 HGAB COc1ccccc1[C@H](C)NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1C 9455020 FTPGHCUTALOSTM-INIZCTEOSA-N 402.516 3.279 0 40 HGAB COc1ccc(-c2nnc(S)n2CC(=O)N[C@H](C)c2cc(C)ccc2OC)cc1 9919271 IYUQBFAITPWQIM-CQSZACIVSA-N 412.515 3.437 0 40 HGAB COCCCN1C(=O)c2[nH]nc(-c3cc(C)ccc3O)c2[C@@H]1c1ccc(O)c(OC)c1 11914920 DVXZZYWDLFJMJC-QFIPXVFZSA-N 423.469 3.387 0 40 HGAB CCCn1cc(C(=O)N2CCC[C@@H](c3nc4ccc(F)cc4cc3C(N)=O)C2)c(C)n1 12242266 FFDKKWDSAROUDP-OAHLLOKOSA-N 423.492 3.408 0 40 HGAB COc1cc(CN2CC[C@@H](c3cc4nc(C)c(C)c(O)n4n3)C2)cc(OC)c1OC 12255258 GBSHEMGUCQFYJW-MRXNPFEDSA-N 412.490 3.067 0 40 HGAB COc1cccc(C(=O)N2CCc3cc(S(=O)(=O)NC4CCCC4)ccc32)c1 12289152 FJQYGUDTKPSSAN-UHFFFAOYSA-N 400.500 3.119 0 40 HGAB O=S1(=O)c2ccccc2[C@@H](O)[C@@H](Cc2ccccn2)N1CCCc1ccccc1 12323137 OHFHLWCPEHZFDL-FYYLOGMGSA-N 408.523 3.363 0 40 HGAB CCOc1ccccc1NC(=O)CSC1=NS(=O)(=O)c2ccccc2N1CC 12414839 BJRARJSOUVACSB-UHFFFAOYSA-N 419.528 3.342 0 40 HGAB COc1cccc(/C=C2/NC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)c1OC(C)C 12447838 SBGIQDZKGHKYGA-LDADJPATSA-N 423.469 3.322 0 40 HGAB COc1ccccc1CN(C)C(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CCCC3 12787113 NEWIOCZYJXEUFT-UHFFFAOYSA-N 411.527 3.463 0 40 HGAB C/C=C/c1ccc(OCC(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)c(OC)c1 12788216 CFXATZVGUKYWTK-IVYDRHTBSA-N 410.514 3.124 0 40 HGAB O=C(NC1CC1)c1cccc(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(F)cc3)C2)c1 12864922 HVEGCJKNVLIJRI-QGZVFWFLSA-N 409.461 3.209 0 40 HGAB CSCC[C@@H](CO)NC(=O)COc1ccc2cc(-c3ccccc3)c(=O)oc2c1 12898892 SDMJBHRFQZHVJE-KRWDZBQOSA-N 413.495 3.069 0 40 HGAB biogenic CCN(CC)Cc1ccc(CNC(=O)CS(=O)(=O)c2ccc(Cl)cc2)cc1 12919800 JPCVVGGJCBQKAV-UHFFFAOYSA-N 408.951 3.272 0 40 HGAB CCc1nnc(NC(=O)[C@@H]2CC(=O)N(c3ccc(Br)c(C)c3)C2)s1 12978482 YNTZAZHTYXOLCR-SNVBAGLBSA-N 409.309 3.163 0 40 HGAB CC(=O)c1ccc(C(=O)NN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)s1 13114504 UZGMGQNTSQQPEF-UHFFFAOYSA-N 419.462 3.091 0 40 HGAB O=C(COc1ccc(Cl)cc1Cl)NCCCn1nc(-c2ccco2)ccc1=O 13797736 CLKYCEPTOZQKCN-UHFFFAOYSA-N 422.268 3.395 0 40 HGAB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1cccc(CN2CCCC2=O)c1 14141783 STAIIMLWUYVQBF-UHFFFAOYSA-N 402.498 3.326 0 40 HGAB CN(c1ccc(OCC(=O)NCc2ccccc2)cc1)S(=O)(=O)c1cccs1 14358968 JBCBGRJYRVHJKZ-UHFFFAOYSA-N 416.524 3.268 0 40 HGAB COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)Nc1cccc(Br)c1 15881309 ZNRUTGBGKXHGFB-UHFFFAOYSA-N 418.222 3.395 0 40 HGAB CSc1ccc(CN(C)C(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)cc1 15967603 QBMHHKAURHXJAC-MRXNPFEDSA-N 412.511 3.191 0 40 HGAB COc1cccc(/C=c2/sc3nc(-c4ccc(OCC(C)C)cc4)nn3c2=O)c1 16728872 ONMNTEHSWNOGOD-XDHOZWIPSA-N 407.495 3.409 0 40 HGAB CC1=C([C@@H]2CC(=O)N(c3ccccc3)C2=O)CC[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]12 17305603 ALCZTTLSWRLVRM-ONTIZHBOSA-N 414.461 3.482 0 40 HGAB CNC(=O)[C@]1(Cc2ccccc2-c2cccc(C)c2)CCN(C(=O)c2cnccn2)C1 19235521 OPTYJOXWSSXJTJ-VWLOTQADSA-N 414.509 3.273 0 40 HGAB O=C1CCOC[C@]2(CN(Cc3ccc(OC4CCCC4)cc3)C[C@H]2c2cccnc2)N1 19340003 PAAFXOJZMIUDJG-ZCYQVOJMSA-N 421.541 3.278 0 40 HGAB CCCC(=O)N1c2ccc([C@H](O)CN3CCN(c4nccs4)CC3)cc2C[C@H]1C 19501703 ZMCNCINJVSEMRK-OXQOHEQNSA-N 414.575 3.076 0 40 HGAB CCC(=O)N1CC[C@@H](c2nc(C)c3c(n2)N(CCc2ccccc2F)C(=O)CC3)C1 19739165 FLOKVAICHYAFOC-QGZVFWFLSA-N 410.493 3.172 0 40 HGAB COc1cccc(CNC(=O)c2cnc([C@H]3CCN(C(=O)C4CCCC4)C3)nc2C)c1 19758246 XFKVAKQLVBTABQ-IBGZPJMESA-N 422.529 3.230 0 40 HGAB CCc1ccccc1O[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 20043210 KAJURNCIGFMPIT-INIZCTEOSA-N 402.516 3.440 0 40 HGAB COc1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2C)cc1 20061630 XBCKOSGGACRXJE-UHFFFAOYSA-N 416.543 3.498 0 40 HGAB CC[C@H](NC(=O)[C@@H](C)N(c1ccc(OC)cc1)S(C)(=O)=O)c1ccc(OC)cc1 20457953 MCXDHTOIROCRDI-QRWLVFNGSA-N 420.531 3.126 0 40 HGAB CCOc1cccc(CNC(=O)[C@H](C)N(c2ccc(C)c(C)c2)S(C)(=O)=O)c1 20458037 APLXCCOZWCLYFJ-KRWDZBQOSA-N 404.532 3.173 0 40 HGAB CCNC(=O)N[C@H]1CC[C@]2(C)CC[C@@H]([C@H](C)C(=O)NC3CCCC3)[C@H](O)[C@H]2[C@@H]1C 20467292 FEPMSVXKNBDZGF-ORZDUAMFSA-N 407.599 3.192 0 40 HGAB biogenic,in-vitro COC(=O)C[C@H](C)Nc1nc(CN2CCOCC2)nc2sc3c(c12)CC[C@@H](C)C3 24528063 WLDZQYLLLZLCMT-KGLIPLIRSA-N 418.563 3.012 0 40 HGAB CCCc1cc(=O)[nH]c(SCC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)n1 25039974 NMNPLGCJVPAIEN-UHFFFAOYSA-N 401.488 3.495 0 40 HGAB Cc1ccccc1C(=O)N1CCC(C(=O)O[C@@H](C)C(=O)N(C)Cc2ccccc2)CC1 25054177 WLHNDOXZHZMXCW-IBGZPJMESA-N 422.525 3.438 0 40 HGAB O=C(Nc1ccccc1O)c1cccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c1 28818059 NFXMMTLPENXMDY-UHFFFAOYSA-N 412.423 3.174 0 40 HGAB COc1ccc([C@H](NC(=O)COCc2nc3ccccc3s2)c2nccn2C)cc1 29132804 GXENZOXKBHTHAM-NRFANRHFSA-N 422.510 3.461 0 40 HGAB Cn1c(SCC(=O)N(Cc2ccccc2F)C2CC2)nc2sccc2c1=O 29864966 BRLIHMYSIUORSA-UHFFFAOYSA-N 403.504 3.417 0 40 HGAB CCN(CC)[C@@H](CNC(=O)[C@@H]1CCCN(C(=O)c2ccco2)C1)c1ccsc1 31984572 VBHHOOQOVGGJLV-AEFFLSMTSA-N 403.548 3.393 0 40 HGAB CSCC[C@@H](NC(=O)[C@H]1CCCN(c2ncccn2)C1)c1nc2ccccc2[nH]1 32614269 MZFZNYVSMAQKFV-MAUKXSAKSA-N 410.547 3.180 0 40 HGAB O=C(c1cnn(-c2ccc(F)cc2)c1-n1cccc1)N1CCN(c2nccs2)CC1 32754651 WCVWQKIOSQRVGS-UHFFFAOYSA-N 422.489 3.221 0 40 HGAB Cc1c([C@@H](C)NC(=O)[C@@H](C)NC(=O)c2cccs2)cnn1-c1ccc(F)cc1 32818211 LQKFJPJUWSMJEP-CHWSQXEVSA-N 400.479 3.377 0 40 HGAB COc1ccc(NC(=O)[C@@H](C)N2CCC[C@H](C(=O)Nc3ccccc3)C2)cc1OC 37198750 QQQBRAZHXJZUKP-SJORKVTESA-N 411.502 3.382 0 40 HGAB O=C(CN1CCC(Cn2c(C(F)(F)F)nc3ccccc32)CC1)NC[C@@H]1CCCO1 38535991 BOLYXDIHORVLGD-INIZCTEOSA-N 424.467 3.062 0 40 HGAB Cc1c(C(=O)N2CCN(C(=O)[C@H]3C[C@@H]3c3cccs3)CC2)cnn1-c1ccccc1 38730937 CZTTYFULWOGXSJ-OALUTQOASA-N 420.538 3.330 0 40 HGAB O=C(NC1CC1)c1ccc(NC(=O)[C@@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)cc1 40132256 YRNOQZNQBYCVKO-GOSISDBHSA-N 423.488 3.138 0 40 HGAB COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)[C@H](C)Oc1cccc(C)c1C 44848945 WTTOOXWPVHQHSE-INIZCTEOSA-N 420.531 3.405 0 40 HGAB COc1ccc(NC(=O)[C@@H](C)n2nc(-c3ccccc3)cc(NC(C)=O)c2=O)cc1 46079162 WLXOTIWZGFNJOX-CQSZACIVSA-N 406.442 3.077 0 40 HGAB O=C1COc2cc(NC(=O)N(Cc3cccnc3)C[C@@H]3CCCO3)c(Cl)cc2N1 48076280 KQHCQFMGWRQRFJ-AWEZNQCLSA-N 416.865 3.279 0 40 HGAB CN(C)C[C@H](CNC(=O)Nc1ccc(N2CCCCC2)nc1)[C@@H](O)c1ccccc1 48278427 CMJOFTRJPPJZHU-UGKGYDQZSA-N 411.550 3.105 0 40 HGAB Cc1nn(-c2ccc(F)cc2)c(Cl)c1CN[C@H]1CCCc2c1cnn2CCO 48314612 HSPITQPGFHFNQR-SFHVURJKSA-N 403.889 3.329 0 40 HGAB COC(=O)c1cccc2c1CCCN2C(=O)Cc1csc(Cc2ccccn2)n1 48355497 NHPJIJSMZYJBHJ-UHFFFAOYSA-N 407.495 3.437 0 40 HGAB O=C(Nc1ccc2c(c1)C(=O)N1CCCC[C@H]1CCO2)[C@@H]1COc2ccccc2O1 49030332 HQIKVDWPPNNQHW-KKSFZXQISA-N 408.454 3.242 0 40 HGAB C[C@H]1C[C@@H](C)CN(C(C)(C)CNC(=O)NCc2ccccc2CN2CCOCC2)C1 54726414 CNYNTZYEPJFPBS-BGYRXZFFSA-N 416.610 3.075 0 40 HGAB CC(C)CCNC(=O)Cn1c(=O)n(Cc2ccccc2Cl)c(=O)c2sccc21 57427973 OKMQVOFTLMKSAL-UHFFFAOYSA-N 419.934 3.089 0 40 HGAB C[C@H](OC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccccc1)C(=O)c1ccc(F)cc1 58030117 UWTVGJMBGLALCK-HNAYVOBHSA-N 419.474 3.184 0 40 HGAB O=C(Nc1ccc(Oc2cnccn2)cc1)c1cccnc1S(=O)(=O)C(F)(F)F 58157285 SNSMUYOSVLNNCW-UHFFFAOYSA-N 424.360 3.210 0 40 HGAB CS(=O)(=O)Cc1ccc(NC(=O)C[C@H]2Sc3ccc(Cl)cc3NC2=O)cc1 64091632 HAHQPUKRAYKIJL-MRXNPFEDSA-N 424.931 3.326 0 40 HGAB COC(=O)c1cc(OCC(=O)Nc2cc(OC)cc(OC)c2)c2cc(F)ccc2n1 65033304 SCDIPLPELNPVEB-UHFFFAOYSA-N 414.389 3.195 0 40 HGAB Cc1nn(C(C)C)c(C)c1NC(=O)[C@H]1OCC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 72241274 YVRJJBNOGUVVOZ-MOPGFXCFSA-N 404.898 3.271 0 40 HGAB O=C(Nc1ccc([C@H]2OCC(=O)N(Cc3ccc(F)cc3)[C@@H]2CO)cc1)c1ccco1 72321407 QJMCRUMNTLMNQM-DENIHFKCSA-N 424.428 3.132 0 40 HGAB biogenic,in-vitro COc1ccc(C(=O)N[C@@H]2C[C@@]3(CCC(=O)N(C)CC3)Oc3ccccc32)cc1OC 72327745 BGNVYNVRWZXQBH-KOSHJBKYSA-N 424.497 3.339 0 40 HGAB CCCn1cc(C(=O)N2CCC[C@H](c3n[nH]cc3C(=O)N3CCCCCC3)C2)cn1 72344761 JOGCHXIZALHVEY-KRWDZBQOSA-N 412.538 3.052 0 40 HGAB COc1ccc(Cl)cc1C(=O)N1CCc2nc(NC(=O)[C@@H]3CCCO3)sc2C1 77192023 GPFCIOLWEAOJRJ-HNNXBMFYSA-N 421.906 3.121 0 40 HGAB Cc1ccccc1[C@@H](C)NC(=O)Nc1cc(C2CC2)nn1[C@@H]1CCS(=O)(=O)C1 84234805 MSRPTAKCEKHBED-GDBMZVCRSA-N 402.520 3.311 0 40 HGAB COc1cccc(N2CCN(S(=O)(=O)c3cc(F)c(F)cc3F)C[C@@H]2C)c1 89939402 UTCUNZMVDCLCMG-LBPRGKRZSA-N 400.422 3.012 0 40 HGAB CCCCN(C)c1ccc(C(=O)N[C@H](CC(C)C)C(=O)N2CCC(CO)CC2)cc1 95444543 JDCHMVKBWBIKNZ-JOCHJYFZSA-N 417.594 3.298 0 40 HGAB CNc1nc(NCC2CCN(Cc3nc(C)c(C)o3)CC2)ncc1Br 96011579 NEMAKQXDKDXKBZ-UHFFFAOYSA-N 409.332 3.210 0 40 HGAB COc1ccc(-c2nn([C@@H](C)C(=O)N(C)Cc3cccs3)c(=O)cc2OC)cc1 96101196 LMXPNEILIFYVCS-AWEZNQCLSA-N 413.499 3.209 0 40 HGAB Cn1cc([C@@H]2CC(=O)Oc3cc(O)c4c(=O)c(-c5ccc(O)cc5)coc4c32)cn1 96114283 HMDYRLOEIXYLKP-AWEZNQCLSA-N 404.378 3.046 0 40 HGAB biogenic CCN(CC)c1ccc([C@@H]2c3sc(=O)[nH]c3SC[C@]2(CC(=O)O)C(=O)O)cc1 96318871 HHXVEHSGEPQFRP-KUHUBIRLSA-N 422.528 3.066 0 40 HGAB Cc1cc(O[C@@H](C)C(=O)NC[C@H]2CC[C@H](C(=O)O)CC2)c2c(C)c(C)c(=O)oc2c1 100763718 QPVOVGVGTKDJHA-YESZJQIVSA-N 415.486 3.493 0 40 HGAB CCOc1ccc(N2C(=O)[C@H]3[C@@H](c4ccc(Cl)cc4)N4CCCN4[C@H]3C2=O)cc1 102680435 FKESPDMCVYWJEE-XUVXKRRUSA-N 411.889 3.274 0 40 HGAB COC(=O)[C@@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)COc1ccc(Cl)cc1 206797143 PAEFUSFSYQUCJP-WBVHZDCISA-N 407.825 3.079 0 40 HGAB CCOC(=O)c1cccc(NC(=O)c2cc(N(C)S(C)(=O)=O)ccc2Cl)c1 222501554 UHJFQXDTYCPKEQ-UHFFFAOYSA-N 410.879 3.165 0 40 HGAB CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N[C@@H](C)CCc1ccccc1 222650294 PHQROMCJNQFNKD-LAUBAEHRSA-N 418.559 3.377 0 40 HGAB Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)Nc3ccc(F)c(F)c3)s2)c1 223411154 ICHSEADKIBIRLW-UHFFFAOYSA-N 410.427 3.178 0 40 HGAB CCC(=O)N1CCc2cc(S(=O)(=O)NCCOc3ccc4ccccc4c3)ccc21 223643797 QHSQHMBTQLFPNG-UHFFFAOYSA-N 424.522 3.496 0 40 HGAB O=C(NCC1CCCCC1)[C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 224387742 OIFMLTNKODPPBZ-NRFANRHFSA-N 406.592 3.358 0 40 HGAB COc1ccccc1CNC(=O)c1ccc(CN(C)S(=O)(=O)c2ccccc2)cc1 224407783 VMZPZEGCJGRLMJ-UHFFFAOYSA-N 424.522 3.446 0 40 HGAB CS(=O)(=O)N(CC(=O)Nc1ccc(N2CCCCC2)cc1)c1ccc(F)c(F)c1 224955325 OTRHRSNOESOXNZ-UHFFFAOYSA-N 423.485 3.360 0 40 HGAB CCn1c(=O)sc2cc(NC(=O)c3ccc(C)c(NS(C)(=O)=O)c3)ccc21 225095774 HWCFOFJEISLDQJ-UHFFFAOYSA-N 405.501 3.015 0 40 HGAB C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1CCN(c2cc(-c3cccs3)[nH]n2)CC1 238876169 OCBUZPTVBJMNPA-CYBMUJFWSA-N 419.551 3.136 0 40 HGAB COc1ccc(-c2n[nH]cc2C(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)cc1Cl 253399352 CVYPPVNFCHKILI-DZGCQCFKSA-N 424.888 3.160 0 40 HGAB Cc1cccc(CN2CCC[C@@]3(CN(Cc4cccnc4N)CC(F)(F)C3)C2=O)n1 306137184 QOBUUOIJBKUOKJ-OAQYLSRUSA-N 415.488 3.017 0 40 HGAB O=C(CN1C(=O)S/C(=C/c2cc(Br)cs2)C1=O)N1CCCC1 408550701 JFHIRDUMTXMIKF-IZZDOVSWSA-N 401.307 3.169 0 40 HGAB O=C(NCc1ccc2c(c1)OCO2)[C@@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 408707284 IWDVOLGSEGJWIX-GFCCVEGCSA-N 407.253 3.391 0 40 HGAB O=C(C[C@@H]1CN(C(=O)C23CC4CC(CC(C4)C2)C3)Cc2ccnn21)NCc1ccco1 585096063 YURPFSXWXOICBW-GXYHREHHSA-N 422.529 3.282 0 40 HGAB Cc1ccc(Cl)c(OC[C@]2(O)CCCN(CC(=O)NCc3ccc(F)cc3)C2)c1 585272112 FSGQOKLUWRQMGT-QFIPXVFZSA-N 420.912 3.310 0 40 HGAB CC(=O)N1CCCCCCCN(CC(=O)NC2CCOCC2)Cc2ccccc21 643575807 PMKSDRFJRKYYGN-UHFFFAOYSA-N 401.551 3.101 0 40 HGAB Cn1c2c(c(=O)n(C)c1=O)[C@H](c1cccc3ccccc13)[C@H]1C(=O)c3ccccc3C1=N2 828869 NDPRFSHOADVYGZ-WOJBJXKFSA-N 421.456 3.316 0 40 HGAB CC1=C(C(N)=O)[C@H](c2ccccc2Cl)N2NC(c3ccc(Cl)cc3)=NC2=N1 940656 MERLCAMEPMLIOY-INIZCTEOSA-N 400.269 3.430 0 40 HGAB O[C@H]1C(c2ccccc2OCc2ccccc2)=NN[C@H]1c1ccc2c(c1)OCCO2 940963 QWROANHOKQANMU-LADGPHEKSA-N 402.450 3.446 0 40 HGAB C[C@](O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 1388637 CLZXGTNYJRVOQO-INIZCTEOSA-N 405.369 3.008 0 40 HGAB CN1C(=O)N[C@H](c2cccc(F)c2)[C@@H](C(=O)c2cccs2)[C@]1(O)C(F)(F)F 2502277 RKDPVVPQUMMOQU-ZENOOKHLSA-N 402.369 3.333 0 40 HGAB COc1ccc(NC(=O)CN2C(=O)N[C@]3(CCCc4ccccc43)C2=O)cc1Cl 2643833 OEOPDBBGGQWMPK-NRFANRHFSA-N 413.861 3.071 0 40 HGAB CCN(CC(=O)Nc1ccc(Br)cc1)C(=O)COc1ccccc1OC 2644823 KZJHGWBVIKJIFF-UHFFFAOYSA-N 421.291 3.324 0 40 HGAB CC(=O)NCCn1c(SCC(=O)c2ccc(Cl)cc2)nc2ccccc2c1=O 2971292 YFDWCFQYACWSDG-UHFFFAOYSA-N 415.902 3.161 0 40 HGAB CCn1c(SCc2nc3cc(C(=O)OC)ccc3c(=O)[nH]2)nnc1-c1ccccc1 3305032 UOFNJBQDZBGHIY-UHFFFAOYSA-N 421.482 3.280 0 40 HGAB CCCn1nc(C(=O)OCC(=O)N[C@@H]2CCCc3ccccc32)c2ccccc2c1=O 3427657 JLIWTFOTRNPRCT-HXUWFJFHSA-N 419.481 3.157 0 40 HGAB CN(Cc1ccccc1)C(=O)C(=O)c1cn(CC(=O)N2CCCCC2)c2ccccc12 4272317 VATWLNNAPBZEMK-UHFFFAOYSA-N 417.509 3.495 0 40 HGAB CCC[C@@H](OC(=O)C[C@H]1Sc2ccccc2NC1=O)C(=O)NCc1ccco1 4356165 AJKPYYLFIDRKBF-NVXWUHKLSA-N 402.472 3.111 0 40 HGAB O=C(NCCc1nnc2ccc(NCc3ccccc3Cl)nn12)c1ccccc1 4358565 HKWZHEHGHRPLMO-UHFFFAOYSA-N 406.877 3.362 0 40 HGAB COc1ccc(C)cc1S(=O)(=O)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 4578121 ASHYWCYXNRFKOF-UHFFFAOYSA-N 404.576 3.279 0 40 HGAB COc1ccc(C)cc1NC(=O)CSc1nnc2ccc(-c3ccccn3)nn12 5168385 FWUMYLVMTVXJHV-UHFFFAOYSA-N 406.471 3.234 0 40 HGAB COc1ccc(/C=C/C(=O)NCc2ccccc2)cc1S(=O)(=O)N1CCCCC1 6337416 YYJQZLBWRFHZMH-ACCUITESSA-N 414.527 3.199 0 40 HGAB O=C(COC(=O)c1cncc(Br)c1)NCC12CC3CC(CC(C3)C1)C2 6840955 LDWZKIHSWHVXFF-UHFFFAOYSA-N 407.308 3.334 0 40 HGAB O=C1N[C@@](Cc2ccccc2)(c2ccccc2)C(=O)N1C[C@H](O)COc1ccccc1 7203800 CNAOPQQNMXITBN-OFVILXPXSA-N 416.477 3.116 0 40 HGAB Cc1ccc(C(=O)N[C@@H]2CCOc3ccccc32)cc1S(=O)(=O)N1CCCCC1 7215267 UVNZWEOBKGMOAQ-LJQANCHMSA-N 414.527 3.423 0 40 HGAB COc1cc(C2SCCS2)ccc1OC(=O)CN1C(=O)c2ccccc2C1=O 7280037 NEUMSMWJPIIOKA-UHFFFAOYSA-N 415.492 3.375 0 40 HGAB COc1ccc(NC(=O)[C@H](C)OC(=O)CSc2ccc3c(c2)OCCO3)cc1 7631898 MAJAJIRGQDMSQU-ZDUSSCGKSA-N 403.456 3.129 0 40 HGAB COc1ccccc1CCNC(=O)CN1CCC[C@H]1c1ccc2c(c1)OCCCO2 7684619 LTYZYMBOQRMZPG-FQEVSTJZSA-N 410.514 3.352 0 40 HGAB CS(=O)(=O)c1ccc(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 8024345 GQPTUIFYLNCQNS-UHFFFAOYSA-N 412.433 3.071 0 40 HGAB CCCCn1c(N)c(N(C)C(=O)C2(c3ccc(Cl)cc3)CCCC2)c(=O)[nH]c1=O 8038554 IVUUJXHTVMUZSW-UHFFFAOYSA-N 418.925 3.047 0 40 HGAB O=C(Nc1ccccc1)[C@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(COc2ccccc2)nn1 8298314 PNVBBIITXLYMQC-ZEYPLWLESA-N 417.513 3.206 0 40 HGAB biogenic,in-vitro CN(C)CC(=O)N1C[C@@H]2C[C@H](C1)c1ccc(-c3cccc(C(F)(F)F)c3)c(=O)n1C2 8300259 LCLFWFXMAXEHRE-GOEBONIOSA-N 419.447 3.041 0 40 HGAB biogenic,in-vitro Cc1ccc([C@H]2[C@@H](NC(=O)c3ccc(F)cc3)C(=O)N/[N+]2=C\c2ccc(F)cc2)cc1 8396284 JVGTXDGBNVBUIS-VTPLCQIWSA-O 420.439 3.289 0 40 HGAB Cc1ccccc1C(=O)NCc1nn(CC(=O)Nc2c(C)cccc2C)c(=S)n1C 8570976 XJGVPRKOXYPLSP-UHFFFAOYSA-N 423.542 3.445 0 40 HGAB Cc1cc(C(=O)CSc2nc(N)cc(=O)[nH]2)c(C)n1CCc1ccc(F)cc1 8578612 HDEJWCSELGLEOE-UHFFFAOYSA-N 400.479 3.127 0 40 HGAB Brc1ccccc1-c1nn2c(Cn3nnc4ccccc43)nnc2s1 8706329 DEJWMZBRKSGDAW-UHFFFAOYSA-N 412.276 3.408 0 40 HGAB CSCC[C@@H](CO)NC(=O)COc1ccc2c(=O)c(-c3ccccc3)coc2c1 8765034 XVDAUKODARXXQS-INIZCTEOSA-N 413.495 3.069 0 40 HGAB biogenic O=C(Nc1ccc2c(c1)OCO2)c1ccccc1NC(=O)[C@@H]1COc2ccccc2O1 9284110 VYYOHJHALUNJBO-NRFANRHFSA-N 418.405 3.446 0 40 HGAB CCN(CCCNC(=O)N1CCc2c(sc3ncnc(N)c23)C1)c1ccccc1 9469824 QIFIJXFVSSHRLJ-UHFFFAOYSA-N 410.547 3.258 0 40 HGAB CCCNC(=O)[C@H](C)NC(=O)CSc1nnc(-c2ccco2)n1C1CCCCC1 11152374 WHHLHPIVEXHHOP-AWEZNQCLSA-N 419.551 3.166 0 40 HGAB Cc1ccc(-c2csc(NC(=O)CNC(=O)c3ccc4c(c3)OCO4)n2)s1 11515040 XJYAYQRNLOHBFL-UHFFFAOYSA-N 401.469 3.277 0 40 HGAB COc1ccc(OC)c(CC(=O)N2CCC[C@H](c3[nH]ncc3-c3cc(C)no3)C2)c1 12087350 DAPBMZLNUCIZBF-HNNXBMFYSA-N 410.474 3.339 0 40 HGAB NC(=O)[C@@H]1CN(C(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)c2ccccc2O1 12745813 PZTIXRUEDBYJRY-QFIPXVFZSA-N 424.460 3.432 0 40 HGAB O=C(NC1CCCCC1)[C@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1 13678674 BMROTMDJSOSKBS-OAQYLSRUSA-N 414.527 3.233 0 40 HGAB O=C(NCCCN1CCCC1=O)C(=O)Nc1ccc(-c2nc3ccccc3s2)cc1 13719721 CIEAAGCJKYDKPT-UHFFFAOYSA-N 422.510 3.031 0 40 HGAB CCOc1ccccc1-c1noc(COC(=O)c2ccc(Cn3cncn3)cc2)n1 14148801 QXQWJJLUJHFXDU-UHFFFAOYSA-N 405.414 3.132 0 40 HGAB COC(=O)c1cccc(NC(=O)CSc2nnc(COc3ccccc3F)[nH]2)c1 14152641 FRBZTGNEXUGCDC-UHFFFAOYSA-N 416.434 3.040 0 40 HGAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1cc(C(=O)OC)ccc1C(=O)OC 14397400 ZUJLWTRKHDNIJX-GOSISDBHSA-N 401.415 3.065 0 40 HGAB CCCn1nc(C(=O)N(C)[C@@H](C)c2ccc(-n3cncn3)cc2)c2ccccc2c1=O 15095775 YYLKUIVKYKVQTO-INIZCTEOSA-N 416.485 3.220 0 40 HGAB CCOc1ccc(/C=c2\sc3nc(-c4ccc(OC)cc4)nn3c2=O)cc1OCC 16805660 LBPRWGFSGUMRQX-UYRXBGFRSA-N 423.494 3.172 0 40 HGAB COc1ccc(NC(=O)CCc2ccc(S(=O)(=O)N3CCCC3)cc2)c(OC)c1 16960950 NJHQGZQMXCBROF-UHFFFAOYSA-N 418.515 3.060 0 40 HGAB Cc1cc(-c2cnc(N3CCCC3)nc2[C@H]2CCCN(Cc3ccnn3C)C2)on1 19122248 SDZPLVWMFGACPW-KRWDZBQOSA-N 407.522 3.153 0 40 HGAB N[C@@H]1N=CNC2=C1[C@H](c1ccc(Br)cc1)c1c(c3ccccc3oc1=O)O2 19320110 YJVGAFBGULKMPT-RDTXWAMCSA-N 424.254 3.208 0 40 HGAB biogenic CCc1cc(C(F)(F)F)c2c([C@@H]3CCCN(C(=O)[C@@H](C)n4cncn4)C3)noc2n1 19521931 VDHWGMLKNBOHFW-VXGBXAGGSA-N 422.411 3.363 0 40 HGAB O=C(Nc1cccc(-c2nn3cnnc3s2)c1)c1cncc(Br)c1 20609572 YMHJSYCXDUKSPO-UHFFFAOYSA-N 401.249 3.263 0 40 HGAB COc1ccc(Cl)cc1-n1nnnc1S[C@@H]1CCc2ccccc2NC1=O 20746045 JSHCZFIPWMDUST-MRXNPFEDSA-N 401.879 3.370 0 40 HGAB COc1cc(NC(=O)COc2cc(C)nc(N3CCCCCC3)n2)cc(OC)c1 21360827 WADWUHMUNYBTGG-UHFFFAOYSA-N 400.479 3.200 0 40 HGAB CCOC(=O)C1CCN(C(=O)c2cn(CC)c3ccc(C(F)(F)F)cc3c2=O)CC1 22236889 HPGVPGTUDNCLHP-UHFFFAOYSA-N 424.419 3.456 0 40 HGAB CCN(c1cc(OC)c(OC)cc1C(=O)Nc1cc(F)ccc1C)S(C)(=O)=O 22252441 PQOYETQTDIRBJT-UHFFFAOYSA-N 410.467 3.190 0 40 HGAB CCCOc1ccc(N(CC(=O)Nc2cccc(OCC)c2)S(C)(=O)=O)cc1 22395573 CPZRBGFGZKYORB-UHFFFAOYSA-N 406.504 3.279 0 40 HGAB Cc1ccccc1[C@H](OC[C@H](O)CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)c1ccccc1 24095466 AVQODRNZJDDAEM-XBYSBRQOSA-N 405.494 3.413 0 40 HGAB CCOC(=O)c1ccsc1NC(=O)CN1CCC(C(=O)Nc2ccccc2)CC1 24837647 YZYZPJWSTUOFOB-UHFFFAOYSA-N 415.515 3.214 0 40 HGAB COc1ccc(OCc2cc(C(=O)N(C)CC(=O)NCc3ccco3)c(C)o2)cc1 27385195 DXWPIOROSXRCEH-UHFFFAOYSA-N 412.442 3.157 0 40 HGAB COc1ccc(N2C[C@@H](C(=O)Nc3ccccc3C(=O)NC3CCCC3)CC2=O)cc1 28420219 HNBNFQOTULZZLU-INIZCTEOSA-N 421.497 3.359 0 40 HGAB Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NCCCOc2ccccc2F)C(C)C)cc1 32820343 MNBHMTNBWRWQCU-HXUWFJFHSA-N 422.522 3.022 0 40 HGAB CC[C@@H]1CCCCN1C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 32896209 VMASYSGRGODSNE-HXUWFJFHSA-N 404.576 3.367 0 40 HGAB Cc1cccc(N2C[C@H](C(=O)N3CCC(C(=O)c4ccc(O)cc4)CC3)CC2=O)c1C 32898900 OKUWTSSWFRVSMN-HXUWFJFHSA-N 420.509 3.483 0 40 HGAB CC(C)(C)c1noc(CCC(=O)Nc2ccc(NC(=O)NC[C@@H]3CCCO3)cc2)n1 32938212 YFHDDXKQODJSKL-INIZCTEOSA-N 415.494 3.239 0 40 HGAB Cn1nnc(NC(=S)NC(=O)/C=C/c2ccc(-c3cccc(Cl)c3Cl)o2)n1 38200770 HQOGIYGMKASMMH-SOFGYWHQSA-N 423.285 3.303 0 40 HGAB COC(=O)Cc1nn(CC(=O)Nc2ccc(C(C)(C)C)cc2)c(=O)c2ccccc12 40384894 XYVLSZRANBYHBM-UHFFFAOYSA-N 407.470 3.048 0 40 HGAB CCOc1ccc([C@@H](C)NC(=O)CN(c2ccc(C)cc2C)S(C)(=O)=O)cc1 44884407 XERRIDIKXJWMDA-QGZVFWFLSA-N 404.532 3.346 0 40 HGAB Cc1ccc([C@@H](C)NC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(C)ccc3O2)c(C)c1 44935081 JRCVXYOWOQXHPI-OXQOHEQNSA-N 402.516 3.016 0 40 HGAB Cc1ccc(CN2CCCN(C(=O)CCCn3c(=O)oc4ccccc43)CC2)cc1 45767086 MADIQBJLEJUHFL-UHFFFAOYSA-N 407.514 3.418 0 40 HGAB CCCOc1ccc(C(=O)Nc2cccc([C@]3(C)NC(=O)NC3=O)c2)cc1OCC 47169060 LEMOIKCGNSGBEC-QFIPXVFZSA-N 411.458 3.181 0 40 HGAB O=C(NCCOc1ccc(F)cc1)[C@H]1CCCN(c2ccc(-c3ccco3)nn2)C1 49371922 XGVXKHKTHVCOJN-INIZCTEOSA-N 410.449 3.287 0 40 HGAB Cc1cc(C)c2cc(CN(Cc3nnnn3C(C)(C)C)C[C@H]3CCCO3)c(=O)[nH]c2c1 57607666 DAROHQIDUDYOCM-GOSISDBHSA-N 424.549 3.068 0 40 HGAB CC(C)C(=O)N1CCCc2cc([C@@H](O)CN3CCN(c4ccc(O)cc4)CC3)ccc21 57811750 LBZBLIUNEQEHEQ-DEOSSOPVSA-N 423.557 3.183 0 40 HGAB CC(=O)c1ccc(NC(=O)[C@H](C)N2CCC[C@@H](C(=O)Nc3ncccc3C)C2)cc1 72308205 RMBLWEPAHMYJCR-QFBILLFUSA-N 408.502 3.270 0 40 HGAB Cc1c(CN2CCC([C@H]3Nc4ccccc4S(=O)(=O)N3)CC2)c2ccccc2n1C 72338965 UCDPEJKCAMFMOJ-QHCPKHFHSA-N 424.570 3.429 0 40 HGAB Cn1nc(-c2ccc(F)cc2)cc1C(=O)NC[C@@](O)(c1ccccc1)C(F)(F)F 77200854 BSBLFNVKRWFGGJ-LJQANCHMSA-N 407.367 3.406 0 40 HGAB O=C(CNC(=O)c1cn(Cc2ccccc2)nc1-c1ccccc1)Nc1ccccn1 79111978 KFKMIGXZMNTSDW-UHFFFAOYSA-N 411.465 3.362 0 40 HGAB O=C(O)COc1ccc(NC(=O)Cc2csc(-c3cnccn3)n2)c2ccccc12 95424932 WBYCOJDOPCZQAC-UHFFFAOYSA-N 420.450 3.398 0 40 HGAB COc1ccccc1-c1nn(Cc2ccccc2)cc1CN1CCC[C@@H](C(N)=O)C1 95430325 GJEDYGZJJYVTSN-LJQANCHMSA-N 404.514 3.304 0 40 HGAB CCCCc1c(O)nc(S[C@H]2CC(=O)N(c3cc(Cl)ccc3C)C2=O)[nH]c1=O 95483255 FJSABLBBCFMOKW-AWEZNQCLSA-N 421.906 3.204 0 40 HGAB C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)OCc1c(Cl)cccc1Cl 95945566 DNMMWGBKTBIWDW-SNVBAGLBSA-N 413.282 3.164 0 40 HGAB C/C=C/C=C/C=C/C(=O)O[C@@H]1C=C(CO)[C@](O)(C(=O)O)[C@@]2(C)CCCC(C)(C)[C@H]12 96111399 WQJXWXRSOBXAGZ-XLDMSTKGSA-N 404.503 3.167 0 40 HGAB biogenic,in-vitro COc1ccc(-c2n[nH]cc2C(=O)N[C@@H](CCSC)c2nnc3ccccn23)cc1 96118233 CSINDPRAAHMTTB-KRWDZBQOSA-N 422.514 3.352 0 40 HGAB COc1cc(/C=C2/N=C3CCCCCN3C2=O)ccc1OCC(=O)NCCC(C)C 96831498 OQCOYAQFPUIQSU-QGOAFFKASA-N 413.518 3.392 0 40 HGAB COC(=O)c1cc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3C)c(F)cc1F 97091121 ZTHWTPRKFOOYLD-UHFFFAOYSA-N 400.385 3.471 0 40 HGAB CCN1C[C@@]2(CC1=O)CN(Cc1ccc(C)o1)CCN(C(=O)Nc1ccccc1)C2 97952813 WMFFMACBERUSKN-HSZRJFAPSA-N 410.518 3.176 0 40 HGAB O=c1cccc2n1C[C@@H]1C[C@@H]2CN(c2ncnc3c2cnn3-c2ccc(Cl)cc2)C1 100629102 FGHUAHMBZBDDOQ-HUUCEWRRSA-N 418.888 3.254 0 40 HGAB CCOc1ccccc1CCCNC(=O)[C@@H](C)N(c1cccc(F)c1)S(C)(=O)=O 220483977 MDGRXFBBXCJNSR-MRXNPFEDSA-N 422.522 3.128 0 40 HGAB CC[C@H](C(=O)NCCCc1ccccc1OC)N(c1cccc(C)c1)S(C)(=O)=O 220516030 CVBBJKQJCHLIFH-HXUWFJFHSA-N 418.559 3.297 0 40 HGAB COc1ccc(CN(C(=O)CCc2ccccc2)[C@@H](C)C(=O)NC[C@@H]2CCCO2)cc1 222993618 MHVBHIFTIAAFRY-CVDCTZTESA-N 424.541 3.340 0 40 HGAB CCC(=O)N(Cc1ccc(OC)cc1)[C@H](C(=O)NC[C@H]1CCCO1)c1ccccc1 223546990 HKZWOSMLHAKNOR-GGAORHGYSA-N 410.514 3.470 0 40 HGAB O=C(NCc1nc(-c2ccccc2)no1)/C(=C/c1ccco1)NC(=O)c1ccccc1 223564905 QRKAIDCFAHIILR-RGEXLXHISA-N 414.421 3.417 0 40 HGAB Cc1ccc(S(=O)(=O)N(C)c2cc(C(=O)NCc3ccccn3)ccc2C)cc1 224307842 QPTXYYHJCXPPQH-UHFFFAOYSA-N 409.511 3.454 0 40 HGAB CC[C@@H](NC(=O)CN(Cc1ccccc1F)S(C)(=O)=O)c1ccc(OC)c(C)c1 225357207 SNPOLXVQBSCCEC-LJQANCHMSA-N 422.522 3.172 0 40 HGAB COc1c(I)cc(I)c2cccnc12 225392871 TZPPQPBFWBFJRO-UHFFFAOYSA-N 410.980 3.453 0 40 HGAB COc1ccccc1[C@@H](C)NC(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O 225487075 AJNLEBCXFBVGAJ-CQSZACIVSA-N 410.923 3.300 0 40 HGAB CC[C@@H](NC(=O)C1(c2ccccc2)CCOCC1)c1ccc(S(C)(=O)=O)cc1 225819669 YECQSVWATMOSSM-HXUWFJFHSA-N 401.528 3.406 0 40 HGAB Cc1cc(C)n([C@H](C)CC(=O)N[C@@H]2C[C@]3(CCC(=O)N(C)CC3)Oc3ccccc32)n1 248116419 IQXWRLJHNTVTPX-DRMXPCRNSA-N 424.545 3.472 0 40 HGAB C[C@@H](C(=O)Nc1ccc(N2CCCCC2)c(F)c1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 253372456 FKTFUYNLGPEGAQ-IYNKWVJVSA-N 413.493 3.174 0 40 HGAB CCNC(=O)Cc1c(C)nc([C@@H]2CCCN(C(=O)[C@H](C)c3ccccc3)C2)nc1C 257205003 AXFFCIFKAKQYSD-OXQOHEQNSA-N 408.546 3.282 0 40 HGAB COCCC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4cccc(OC)c4O)OCC[C@@]31C2 257268736 MMYGBBGMKCMTDZ-KGKWWCKXSA-N 403.519 3.436 0 40 HGAB Cn1cc(C(=O)NC[C@H]2CC[C@H](c3ccnc4cc(C(C)(C)C)nn43)CC2)ccc1=O 257287010 POAHKWNHUWYMQV-QAQDUYKDSA-N 421.545 3.429 0 40 HGAB O=C(c1ccc2c(c1)OCCCO2)N1CCO[C@]2(CCCC[C@H]2N2CCCC2)C1 306127736 GFXDHOOYKCPMKA-FYYLOGMGSA-N 400.519 3.098 0 40 HGAB CC(C)NC(=O)COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1Cl 408559621 AENCOTBFLHIMCB-UHFFFAOYSA-N 400.859 3.183 0 40 HGAB C[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)NC1CCCCCCC1 408582249 CBBQCUHHBUUUOQ-CYBMUJFWSA-N 417.369 3.345 0 40 HGAB Cc1ccc(C(=O)O)cc1NC(=O)c1ccc(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1 408670172 IHHAIUWFBBXXFH-HDICACEKSA-N 404.422 3.401 0 40 HGAB Cc1nnc(NC(=O)CCC(=O)OCC(=O)Nc2cc(Cl)ccc2Cl)s1 408691474 ZZQSLVUBHMDYPG-UHFFFAOYSA-N 417.274 3.054 0 40 HGAB CCNS(=O)(=O)c1cc(C(=O)N[C@H](C)CCc2ccccc2)ccc1OCC 408700771 LOIWNOUTYKTBKY-MRXNPFEDSA-N 404.532 3.135 0 40 HGAB CCc1ccc(N(CC(=O)Nc2ccc(Br)cc2)S(C)(=O)=O)cc1 409025514 WGASMVMSCBDKHH-UHFFFAOYSA-N 411.321 3.416 0 40 HGAB COCCCN1C(=O)S/C(=C/c2cc(OC)c(O)cc2Br)C1=O 409235693 PTZRQSFKLYAZLS-NTUHNPAUSA-N 402.266 3.236 0 40 HGAB O=C(c1cn(-c2ccc(Cl)cc2)nn1)N1CCC(O)(Cc2ccc(F)cc2)CC1 548470638 KBAINYGUIAOURC-UHFFFAOYSA-N 414.868 3.270 0 40 HGAB CS(=O)(=O)N[C@@H]1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1 581088411 CIXHKGKOVUEYQX-PLACYPQZSA-N 400.544 3.168 0 40 HGAB O=C1C[C@H](C(=O)N2CCCC3=C[C@H]4C[C@@H](CN5CCCC[C@@H]45)[C@H]32)CN1Cc1ccco1 583647631 WJXXWLHUWHORMV-RNDDGGPQSA-N 423.557 3.050 0 40 HGAB biogenic CC[C@@H]1N(C(=O)Cc2ccc(F)cn2)CCC[C@]12CCC(=O)N2Cc1ccncc1 585104182 KIJHNPLLZUZOQT-REWPJTCUSA-N 410.493 3.121 0 40 HGAB Cc1cc(C)nc(Nc2cccc([C@H]3CCCN(C(=O)/C=C/c4cnc[nH]4)C3)n2)n1 585292004 WRACDZQOGBNIMF-IJDCCNJMSA-N 403.490 3.375 0 40 HGAB CC(C)CN[C@@H]1C[C@@H](O)[C@H](CO)[C@H]1Cc1ccnc(-c2cccc(C(F)(F)F)c2)n1 604382413 RKWMEHMRNUGIAV-UAFMIMERSA-N 423.479 3.308 0 40 HGAB biogenic,in-vitro CCOc1ccc(Nc2nnc([C@@H](NC(=O)c3ccccc3)C(=O)OC)s2)cc1 606422220 ASLNVNDDPGXTCX-MRXNPFEDSA-N 412.471 3.325 0 40 HGAB Cc1cccnc1C(=O)N1CCCCNC(=O)c2cc(Cl)ccc2OCCC1 643558422 MYLUKJPUKGPVKF-UHFFFAOYSA-N 401.894 3.478 0 40 HGAB Cc1ccsc1S(=O)(=O)N1C[C@@H]2CCC[C@@H](N(C)Cc3ccncc3)[C@H]2C1 2055746505 PRDYSQBZBYIOJO-GBESFXJTSA-N 405.589 3.373 0 40 HGAB O=C(OCc1nc2ccccc2s1)[C@@H]1CCCN1S(=O)(=O)c1ccccc1F 3406634 XAUDRYNVUQQMSZ-HNNXBMFYSA-N 420.487 3.332 0 40 HGAB CCc1cccc(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCCC2)c1 3448956 GCMYZOQYSBPOJG-UHFFFAOYSA-N 401.532 3.352 0 40 HGAB C[C@@H](OC(=O)c1ccccc1NC(=O)c1ccco1)C(=O)Nc1ccc2c(c1)OCO2 3483368 ODCMUCXERIUKRQ-CYBMUJFWSA-N 422.393 3.445 0 40 HGAB CCc1ccc(NC(=O)CSc2nc3c(c(=O)n2CCOC)S[C@H](C)C3)cc1 4108069 JTLOWTICFPNUHC-CYBMUJFWSA-N 419.572 3.220 0 40 HGAB CCOC(=O)CSc1nnc(NC(=O)NCCOc2ccc(Cl)cc2)s1 4110146 BUCIIQDYUWEOAA-UHFFFAOYSA-N 416.912 3.047 0 40 HGAB Cc1ccc(-n2ncc3c(SCC(=O)N4C[C@@H](C)O[C@H](C)C4)ncnc32)c(C)c1 4341786 HEDXILNNLBCFKU-HZPDHXFCSA-N 411.531 3.160 0 40 HGAB C[C@@H]1C(=O)N(c2ccc(Br)cc2)C(=O)[C@H]2C(=O)Oc3ccccc3[C@@H]12 4653493 MWCBFVAZHWOBHI-JQAFLVLXSA-N 400.228 3.277 0 40 HGAB CCOC(=O)C1CCN(C(=O)C2(NC(=O)Nc3cccc(F)c3)CCCCC2)CC1 4981922 ZGCFMQDMPBQRGV-UHFFFAOYSA-N 419.497 3.452 0 40 HGAB CCc1ccccc1N1C[C@H](C(=O)OCC(=O)Nc2ccccc2Cl)CC1=O 5037604 BOKBCXZCONIFLF-OAHLLOKOSA-N 400.862 3.437 0 40 HGAB COc1ccccc1CC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCCCC2)c1 5578686 LHUCTKZLVQWEIU-UHFFFAOYSA-N 418.515 3.060 0 40 HGAB COc1ccc(CC(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCCCC3)c2)cc1 5578739 ZDTHQBAOOBQJPV-UHFFFAOYSA-N 418.515 3.060 0 40 HGAB O=C(CSc1nc2nccnc2c(=O)n1CCc1ccccc1)Nc1ccccc1 6818575 QDCZHRQYLSTDNY-UHFFFAOYSA-N 417.494 3.160 0 40 HGAB CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)CNCCCOC 7141175 SNIZBDBHBWEBHF-UHFFFAOYSA-N 406.504 3.165 0 40 HGAB COc1ccc(Br)cc1CN(C)S(=O)(=O)c1cccc(C(C)=O)c1 7218729 LBIUFCYKPILZRR-UHFFFAOYSA-N 412.305 3.481 0 40 HGAB Cc1nn(-c2ccccc2)nc1C(=O)OCC(=O)Nc1ccc(C(F)(F)F)cc1 7293002 VXFAREJUYDSBJH-UHFFFAOYSA-N 404.348 3.390 0 40 HGAB Cc1ccc(NC(=O)COC(=O)CCS(=O)(=O)c2ccc(C)c(C)c2)cc1C 7940045 HVDIQKAKYVCULO-UHFFFAOYSA-N 403.500 3.266 0 40 HGAB O=C(NCCc1ccc2c(c1)OCCO2)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1 8073015 VGYKERVTBIJXMU-LJQANCHMSA-N 416.477 3.323 0 40 HGAB CSc1ccccc1NC(=O)CN(C)C(=O)[C@@H]1CC(=O)N(c2ccc(C)cc2)C1 8076410 FUBKRXSKDXOKTB-MRXNPFEDSA-N 411.527 3.167 0 40 HGAB CCc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)N3CCOCC3)cc2)cc1 8085923 RVGRKKRQVKHJSR-HKWRFOASSA-N 419.481 3.032 0 40 HGAB COc1ccc(-c2noc(CN3C(=O)N[C@]4(CCCc5ccccc54)C3=O)n2)cc1 8316452 HIJGNDKMIUUWSK-QFIPXVFZSA-N 404.426 3.029 0 40 HGAB CCOc1c(Br)cc(Br)cc1CNc1nnnn1CC 8339943 YWUGUAKKYSJGDI-UHFFFAOYSA-N 405.094 3.229 0 40 HGAB COc1cc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCN(C)C)ccc1O 8373799 JYEDRFSXAQGXPL-HXUWFJFHSA-N 408.454 3.004 0 40 HGAB O=C1C[S@](=O)[C@@H](c2ccc(Cl)cc2)C(=O)N1c1ccc(Br)cc1 8733524 VTMXCIQKXXSKDD-NPMXOYFQSA-N 412.692 3.466 0 40 HGAB COc1ccc(-c2coc3cc(OCC(=O)NC[C@H]4CCCO4)ccc3c2=O)cc1 9485151 MCDJZGNWKNUDGX-GOSISDBHSA-N 409.438 3.143 0 40 HGAB biogenic COc1ccc(N([C@H](C)C(=O)Nc2ccc(F)cc2F)S(C)(=O)=O)cc1Cl 10366812 BRRFDDGWCPPOAZ-SNVBAGLBSA-N 418.849 3.420 0 40 HGAB O=C(CSc1ccc(NC(=O)c2cccs2)nn1)NCc1ccc(F)cc1 11027501 JAGSMOWOIXIAPM-UHFFFAOYSA-N 402.476 3.338 0 40 HGAB O=C(CSc1ncnc2c1nnn2Cc1ccc(Cl)cc1)NCc1ccccc1 11758559 UIMCOTWDNNECMI-UHFFFAOYSA-N 424.917 3.332 0 40 HGAB Cc1cc(C(F)(F)F)n2nc([C@H]3CCCN(C(=O)Cn4nc(C)cc4C)C3)cc2n1 12257682 GGLWZNMOWBMWTI-HNNXBMFYSA-N 420.439 3.276 0 40 HGAB COc1cc(C(=O)N2CCC(c3noc(-c4ccncc4)n3)CC2)cc(OC)c1OC 12327694 CKZDDZSBZXPOSC-UHFFFAOYSA-N 424.457 3.177 0 40 HGAB O=C([C@@H]1CN(C(=O)c2ccc(Br)o2)c2ccccc2O1)N1CCCCC1 12599440 QRHPPZCDSXBPJZ-INIZCTEOSA-N 419.275 3.462 0 40 HGAB COc1ccc(C(=O)C2CCN(C(=O)[C@@H](C)NC(=O)c3cccc(C)c3)CC2)cc1 12739614 XJXXEBAWTAGHCK-QGZVFWFLSA-N 408.498 3.243 0 40 HGAB CN(C)Cc1ccc(CNC(=O)CCn2cnc3sc4c(c3c2=O)CCCC4)cc1 12779883 GBMSJLBJXOQHMJ-UHFFFAOYSA-N 424.570 3.105 0 40 HGAB CN(C)S(=O)(=O)c1cc(C(=O)OCc2cccs2)ccc1Br 12784129 DFHKJDWHQVRJKQ-UHFFFAOYSA-N 404.307 3.118 0 40 HGAB C[C@@H](C(=O)Nc1ccc(F)c(F)c1)N1CCC(C(=O)NCc2ccccc2)CC1 12819179 LSYMDDWUFMOJJJ-HNNXBMFYSA-N 401.457 3.320 0 40 HGAB O=C(OCc1cc(Cl)cc2c1OCOC2)c1cccc(N2CCCS2(=O)=O)c1 12888944 UKRCVZABZNUCQQ-UHFFFAOYSA-N 423.874 3.103 0 40 HGAB O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)Nc1cccc(Cl)c1Cl 12986191 WWCHPHHXUHUZGL-UHFFFAOYSA-N 404.253 3.004 0 40 HGAB NC(=O)Cc1ccc(C(=O)CSc2nnc(-c3ccccc3F)n2C2CC2)s1 12987482 FKGJIGFGHMECSC-UHFFFAOYSA-N 416.503 3.483 0 40 HGAB Cn1cc(-c2cc(C(=O)N3CCC[C@H]([C@@H]4CC(=O)c5cc(F)ccc5O4)C3)on2)cn1 13265509 QPAALWRCLYOWMP-RBZFPXEDSA-N 424.432 3.100 0 40 HGAB Cn1c(=O)c2sccc2n(CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)c1=O 13533643 GCURMTYZQZJMKN-UHFFFAOYSA-N 417.796 3.073 0 40 HGAB CS(=O)(=O)N(CC(=O)Nc1c(Cl)cccc1Cl)c1ccc2c(c1)OCO2 13566168 RYVGVVQOIHZBRR-UHFFFAOYSA-N 417.270 3.127 0 40 HGAB CCN(CC(=O)Nc1ccc(C)c(Cl)c1)S(=O)(=O)c1cc(F)ccc1OC 13581190 XIMWMRCLPOWNLI-UHFFFAOYSA-N 414.886 3.445 0 40 HGAB CC[C@@H](C(=O)Nc1ccccc1C(=O)OC)N(c1cccc(Cl)c1)S(C)(=O)=O 13712034 DMHYGFFYIAQZPZ-KRWDZBQOSA-N 424.906 3.310 0 40 HGAB CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2ccc3c(c2)OCCCO3)c1 14386296 KTYUIPMKASNQJL-UHFFFAOYSA-N 404.488 3.131 0 40 HGAB Cc1cccc(OC(=O)C[C@@H]2CS(=O)(=O)C[C@@H]2CC(=O)Oc2cccc(C)c2)c1 16745601 YGVBGNLVITWKAE-HDICACEKSA-N 416.495 3.255 0 40 HGAB COc1cc(CN2CCC[C@@H](c3ncccc3S(C)(=O)=O)C2)c(Cl)cc1O 19594929 CYGRXWULQDPUJS-CYBMUJFWSA-N 410.923 3.232 0 40 HGAB Cc1cc(C)n(-c2ccc(CCC(=O)N[C@H]3CC(=O)N(c4ccc(F)cc4)C3)cc2)n1 19655966 MBJCXRMKVGPRDX-FQEVSTJZSA-N 420.488 3.483 0 40 HGAB CC(C)(C)n1nnnc1[C@H](c1ccc(F)cc1)N1CCN(Cc2ccccc2)CC1 20139350 HLVODGRVQPQZJX-NRFANRHFSA-N 408.525 3.474 0 40 HGAB COc1ccccc1CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1c(C)cc(C)cc1C 22521288 CVQDBDFZGXPXBF-IBGZPJMESA-N 416.543 3.090 0 40 HGAB CCc1[nH]c(C(=O)NC[C@@H](c2ccc(OC)cc2)N2CCCC2)c(C)c1C(=O)OC 23487095 OSJLVFINIDTHAH-IBGZPJMESA-N 413.518 3.248 0 40 HGAB CC(=O)c1ccc(N2CCN(S(=O)(=O)C3=Cc4ccccc4CC3)CC2)c(F)c1 32814175 PTWUZMPXJBDRCW-UHFFFAOYSA-N 414.502 3.467 0 40 HGAB O=C(CSc1nc2ncccc2c(=O)n1-c1ccccc1)NCCc1ccccc1 32876537 XARVLSYOURMJBF-UHFFFAOYSA-N 416.506 3.232 0 40 HGAB O=C(/C=C/c1ccc2c(c1)OCO2)OCc1cc(=O)n2c(n1)sc1ccccc12 32896040 GLVZZVLJASOFJH-SOFGYWHQSA-N 406.419 3.395 0 40 HGAB O=C(c1cccs1)N1CCC(C(=O)N2CCC[C@H](c3nnc4ccccn34)C2)CC1 32904377 GVDYPJHKMSGFQU-KRWDZBQOSA-N 423.542 3.049 0 40 HGAB CSCC[C@H](NC(=O)COc1ccccc1)C(=O)N(C)Cc1ccc(F)cc1 32967337 MWAHLTYQWQOEMY-IBGZPJMESA-N 404.507 3.101 0 40 HGAB Cc1ccc(-c2cc(C(=O)N3CCc4ccccc43)nn2[C@@H]2CCS(=O)(=O)C2)cc1 33325611 SNOFXFUPPDJBMU-LJQANCHMSA-N 421.522 3.421 0 40 HGAB COc1cccc(NC(=O)[C@H](c2ccccc2)N2CCN(C(=O)c3ccco3)CC2)c1 35349072 UUGOMHINCSTWDY-QFIPXVFZSA-N 419.481 3.426 0 40 HGAB C[C@]12CCC(=O)N1[C@H](C(=O)N(Cc1ccc3c(c1)OCO3)C1CCCC1)CS2 36774039 CUZLVUFABDBAQO-KKSFZXQISA-N 402.516 3.141 0 40 HGAB CCN(Cc1ccccc1)C(=O)CSc1nncn1-c1cccc(NC(C)=O)c1 40066740 BKZNEESHGKVZLY-UHFFFAOYSA-N 409.515 3.367 0 40 HGAB Cc1nn(-c2ccccc2)c(C)c1CNC(=O)[C@@H]1CCCN(c2ccc(Cl)nn2)C1 40131371 KLWBLKLPNKPIQH-QGZVFWFLSA-N 424.936 3.465 0 40 HGAB C[C@@]12CSCC(=O)N1[C@@H](C(=O)Nc1ccc3c(c1)OC1(CCCCC1)O3)CS2 40146589 CNGCCMOEFKXAHN-AUUYWEPGSA-N 420.556 3.464 0 40 HGAB Cc1cc(N2CCN([C@@H](C)C(=O)N3c4ccccc4C[C@H]3C)CC2)nc(C(C)C)n1 48236334 OZJWRVQGYYCTTL-MOPGFXCFSA-N 407.562 3.397 0 40 HGAB COC(=O)c1c(C)[nH]c(C(=O)N2CCC(C(=O)c3cc(F)ccc3F)CC2)c1C 53553843 FNPBSVJMXUMIJT-UHFFFAOYSA-N 404.413 3.431 0 40 HGAB C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)c1ccc(Oc2cccc(Br)c2)nc1 56017601 AYIFATCALIGPHS-GXTWGEPZSA-N 418.291 3.362 0 40 HGAB CC(C)[C@@H](C(=O)NC[C@@H]1COc2ccccc2O1)n1cnc2cc(F)c(F)cc21 58162088 DWVLEVYJXHLGQZ-XCLFUZPHSA-N 401.413 3.468 0 40 HGAB O=C(O)c1cc(NS(=O)(=O)c2cc(F)ccc2F)ccc1N1CCSCC1 58358242 SGNXMNYCEVLQNQ-UHFFFAOYSA-N 414.455 3.017 0 40 HGAB O=C(CSc1ccc(F)c(F)c1)N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2c2ccccc2)C1 72303283 GJXSLVIYNBDVTB-IDHHARJASA-N 402.466 3.330 0 40 HGAB COc1cccc(CN2CCCC[C@H]3CN(C(=O)CCn4nc(C)cc4C)C[C@H]32)c1 72330671 UAVLEEZNEJETOJ-JTHBVZDNSA-N 410.562 3.412 0 40 HGAB Cc1cc(Cc2cccc(F)c2)cc([C@@H]2CCN(S(=O)(=O)c3cn(C)cn3)C2)n1 72374815 JXSGIVDIEIPCNP-GOSISDBHSA-N 414.506 3.032 0 40 HGAB O=C(NCc1ccncc1)[C@@H]1C[C@]2(CO1)c1ccccc1CN2C(=O)c1ccccc1 96262476 CKFDUXHTIMYTJO-DHLKQENFSA-N 413.477 3.038 0 40 HGAB CC(=O)N1CCc2nc3cc([C@@H]4CCCCN4Cc4ccsc4)nn3c(O)c2C1 100243019 ALYSIIIQDDISDO-IBGZPJMESA-N 411.531 3.128 0 40 HGAB CCOC(=O)c1sc(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)nc1-c1ccccc1 102258440 FNLHSZXVXWSASZ-XQLPTFJDSA-N 412.467 3.448 0 40 HGAB O=S(=O)(Cc1ccccc1)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1 137297189 PCUSDWOWWMMXAV-UHFFFAOYSA-N 402.497 3.429 0 40 HGAB COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccccn1 223711822 JTLPPRIZHQUELE-LEWJYISDSA-N 421.526 3.193 0 40 HGAB CS(=O)(=O)N(CC(=O)NCCc1ccc(F)cc1)c1cc(Cl)ccc1Cl 223787930 HYHXBQGFIYWWGR-UHFFFAOYSA-N 419.305 3.257 0 40 HGAB CCOc1ccc(CNS(=O)(=O)c2ccc(C)c(C(=O)OC)c2)cc1OCC 223858847 DELINCNUUPBNIS-UHFFFAOYSA-N 407.488 3.058 0 40 HGAB CCOc1cccc(CN(C)S(=O)(=O)c2ccc(N3CCCC3=O)c(C)c2)c1 223886210 UVOFXJNZBBJTCH-UHFFFAOYSA-N 402.516 3.341 0 40 HGAB Cc1cc(C)cc(N([C@@H](C)C(=O)NCCOc2ccccc2Cl)S(C)(=O)=O)c1 223893493 KJWLKGQRZLVYPR-INIZCTEOSA-N 424.950 3.307 0 40 HGAB Cc1ccc(C)c(OCCNC(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)c1 223990347 VHSXDFSGAVWSDT-UHFFFAOYSA-N 418.559 3.388 0 40 HGAB COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NCCCN2CCCC2)cc1 225611272 MKEKJDLTJXUOTQ-SILNSSARSA-N 413.543 3.130 0 40 HGAB CCn1c(=O)sc2cc(S(=O)(=O)NCCCc3ccccc3OC)ccc21 225695957 ZHFVLWPXVNQLGC-UHFFFAOYSA-N 406.529 3.003 0 40 HGAB CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N(CC)Cc1ccccc1 225718163 RFKBWLZQXYYECV-FQEVSTJZSA-N 404.532 3.289 0 40 HGAB COc1ccc(NC(=O)[C@]23C[C@@H]2CN(c2c(C)cccc2C)S3(=O)=O)c(C)c1 225939667 UTIVTIYWBBLECS-IERDGZPVSA-N 400.500 3.168 0 40 HGAB S=C(Nc1nc(Sc2ncccn2)cc(N2CCCC2)n1)NC1CCCC1 226005345 BESYXXCLZGVPNR-UHFFFAOYSA-N 401.565 3.247 0 40 HGAB Cc1cc(C)cc(N(CN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@@H]45)[C@H]3C2=O)C(=O)C(F)(F)F)c1 226401008 GEIPTPIPTRNSCC-OBRKIGFESA-N 418.415 3.209 0 40 HGAB CCOC[C@]1(C(N)=S)[C@H](c2cccc(F)c2)[C@H]1S(=O)(=O)c1ccc(C)cc1 252515692 MVOZOWQYZYTBQW-GGPKGHCWSA-N 407.532 3.383 0 40 HGAB CC(=O)N1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)N2C(=O)c1ccnnc1 257208268 BLKJTJXZBOQJNF-CFKFVRPNSA-N 404.514 3.092 0 40 HGAB Cc1nc([C@H]2CCCN(C(=O)c3cccnc3)C2)nc(C)c1CC(=O)NC1CCCC1 257219336 DGLNMHPAKQZUNM-IBGZPJMESA-N 421.545 3.110 0 40 HGAB CCn1nc(C(=O)N2CCC[C@@](COc3cccc(Cl)c3)(CC(N)=O)C2)cc1C 257220223 DKCCTCGJEWLUEL-OAQYLSRUSA-N 418.925 3.042 0 40 HGAB Cc1cc(N2CCC(C)(c3ccc4c(N)c(C(=O)N(C)C)sc4n3)CC2)ncn1 257220664 DLPYFPCUDBTYKK-UHFFFAOYSA-N 410.547 3.237 0 40 HGAB NC(=O)C[C@@]1(COc2ccc(F)cc2)CCCN(C(=O)c2ccc(F)cc2F)C1 257319565 VTBJZIHWTGFNJB-NRFANRHFSA-N 406.404 3.281 0 40 HGAB Cc1ccc(C)c([C@@H](C)NC(=O)[C@H](C)Oc2ccc(N(C)S(C)(=O)=O)cc2)c1 260767281 MMQDURZULUKXPQ-SJORKVTESA-N 404.532 3.344 0 40 HGAB CN1CCN(Cc2ccc3c(c2)OCO3)C[C@H]1c1cn2c(N3CCCC3)cccc2n1 306140317 UPRAXCVRIURPQJ-FQEVSTJZSA-N 419.529 3.152 0 40 HGAB NC(=O)c1ccccc1NC(=S)NC(=O)c1ccc(OCc2ccccc2)cc1 408624047 ARJHMLRJKSQVAC-UHFFFAOYSA-N 405.479 3.491 0 40 HGAB Cc1cccc(CNC(=O)C(=O)Nc2ccccc2C(=O)NCCc2ccccc2)c1 408710124 PIZAMFHIMDESSF-UHFFFAOYSA-N 415.493 3.222 0 40 HGAB Cc1cccc(CNC(=O)c2ccccc2NC(=O)C(=O)NCc2ccc(F)cc2)c1 408710371 ZNMWLIRHKLLIEL-UHFFFAOYSA-N 419.456 3.319 0 40 HGAB CCN1C(=O)/C(=C/c2cc(Br)cc(Br)c2O)N(C)C1=S 409048851 PFWFTELMZKFGQR-YHYXMXQVSA-N 420.126 3.337 0 40 HGAB COc1ccccc1N1CC[C@H](NC(=O)c2cccc(CNc3ccncn3)c2)C1 542653431 NUGIQVFWTBXJKS-IBGZPJMESA-N 403.486 3.106 0 40 HGAB COc1ccc(C2(C(=O)N3CCC[C@H](c4nnc5ccccn45)C3)CCOCC2)cc1 545995929 CODLHPYVZDQISW-SFHVURJKSA-N 420.513 3.192 0 40 HGAB COc1ccc(CN2CCc3oc(C(=O)N4CCC(F)(F)CC4)nc3C2)c(F)c1 585111859 HTOWTSGZLSAPQU-UHFFFAOYSA-N 409.408 3.252 0 40 HGAB Cc1nc(Nc2nc(C)c(C)s2)cc([C@H]2CCN(C(=O)/C=C/CN(C)C)C2)n1 585293291 ZCPYXTHANVMGQK-MOEXGYKKSA-N 400.552 3.036 0 40 HGAB Cc1ccc(C(=O)NCC(=O)OCCOc2ccc(Br)cc2)cc1C 3359744 IOWQBXUYHNAPEU-UHFFFAOYSA-N 406.276 3.418 0 40 HGAB CC(=O)Oc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=C3S[C@@H](C)C(=O)N32)cc1 3636555 CVLGSCGLPIWSSN-SJCJKPOMSA-N 402.472 3.212 0 40 HGAB Cc1ccc(NC(=O)CSc2nn3c(=O)c(C(C)(C)C)nnc3s2)cc1C 5143880 FEOJBYBDZMIOGL-UHFFFAOYSA-N 403.533 3.191 0 40 HGAB O=C(COC(=O)COc1ccc2c(c1)CCC2)Nc1cccc(Br)c1 5241305 REWBVFVJTIXACD-UHFFFAOYSA-N 404.260 3.499 0 40 HGAB O=C(CCn1nnc2ccccc2c1=O)Nc1ccc(OCc2ccccc2)cc1 5268605 WSCOJWRWPUCPAY-UHFFFAOYSA-N 400.438 3.399 0 40 HGAB COc1ccccc1C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCCCC2)c1 5578714 DOMREQYMSXZHMF-UHFFFAOYSA-N 404.488 3.131 0 40 HGAB Cc1[nH]c(SCC(=O)Nc2ccc(C(=O)O)cc2)nc(=O)c1Cc1ccccc1 5800355 WWQKJQXGPODJTQ-UHFFFAOYSA-N 409.467 3.098 0 40 HGAB CCOC(=O)c1[nH]c(C)c(C(=O)O[C@@H](C)C(=O)Nc2ccc(N(C)C)cc2)c1C 6612881 IOALWNFQVFHGMN-AWEZNQCLSA-N 401.463 3.058 0 40 HGAB CC(=O)Nc1ccc(S(=O)(=O)NCCc2csc(-c3cccs3)n2)cc1 6720009 MBMAKXKOCXMUHA-UHFFFAOYSA-N 407.542 3.351 0 40 HGAB Cn1c(SCC(=O)Nc2nnc(-c3ccccc3)o2)nnc1-c1ccccc1F 7235739 SXUOMDCWMJFEPG-UHFFFAOYSA-N 410.434 3.402 0 40 HGAB CN(Cc1cccc(Cl)c1)C(=O)COC(=O)C[C@H]1Sc2ccccc2NC1=O 7292727 KHXAPYUMAYAATQ-QGZVFWFLSA-N 418.902 3.345 0 40 HGAB CC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)Nc2cccc(Cl)c2)cc1 8416838 NAEPVXFVMGXFAP-UHFFFAOYSA-N 402.834 3.443 0 40 HGAB CCCNc1nc(SC)nc2c1cnn2CCNC(=O)c1ccc(F)c(F)c1 8940489 MGUUKWLQCPPXDJ-UHFFFAOYSA-N 406.462 3.078 0 40 HGAB Cn1ccnc1SCC(=O)Nc1ccccc1C(=O)NCCc1cccc(F)c1 9467121 OTCJPAUWGSRXHM-UHFFFAOYSA-N 412.490 3.263 0 40 HGAB Cc1nnc(SCC(=O)NCc2ccc(N3CCCC3=O)cc2)n1-c1ccccc1 9836107 CWGCNBINLRXQPI-UHFFFAOYSA-N 421.526 3.111 0 40 HGAB Cc1ccc(S(=O)(=O)CCCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1 9912731 MCNDBDOJWMYCIT-UHFFFAOYSA-N 420.556 3.227 0 40 HGAB O=C(Nn1cnc2c(cnn2-c2ccccc2)c1=O)c1cc(Cl)ccc1Cl 10251184 GNMQLGKPQUACME-UHFFFAOYSA-N 400.225 3.273 0 40 HGAB COc1cc(Cl)c(NCC(=O)Nc2ccc3c(c2)CCN3C(C)=O)cc1OC 11101313 MRGDHETXORHCHT-UHFFFAOYSA-N 403.866 3.317 0 40 HGAB COC(=O)c1ccccc1N(C)C(=O)CN1CCC[C@H]1c1ccc2c(c1)OCCCO2 11287853 ITBNJQKOZZCTJA-IBGZPJMESA-N 424.497 3.434 0 40 HGAB COc1cn(-c2ccc(F)cc2)nc1C(=O)Nc1cc(OC)c(OC)c(OC)c1 11694311 MZILKICQDFKYAI-UHFFFAOYSA-N 401.394 3.298 0 40 HGAB CCCCSc1nc2ccccc2c(=O)n1CCc1ccc(S(N)(=O)=O)cc1 12736195 IOKPNBCEEGACNM-UHFFFAOYSA-N 417.556 3.179 0 40 HGAB O=C(CNc1ccccc1C(=O)NC[C@@H]1CCCO1)Nc1ccc(N2CCCC2)cc1 12792051 FLXFSWPRKXDQBF-FQEVSTJZSA-N 422.529 3.246 0 40 HGAB O=C(CCc1nc(-c2ccc(F)cc2)no1)N1CCN(Cc2ccccc2F)CC1 12865539 ORMOWBIGQOCFAV-UHFFFAOYSA-N 412.440 3.292 0 40 HGAB O=C(Nc1ccccc1)[C@H]1[C@@H]2C(=O)N(CCc3c[nH]c4ccccc34)C[C@]23C=C[C@H]1O3 12893732 YEVPHJIBDVTKJC-NMOFPLQQSA-N 413.477 3.131 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(C(=O)OCc2nc(-c3cccs3)no2)cc1 12984847 YNXIFUYNNFKTPK-UHFFFAOYSA-N 421.500 3.186 0 40 HGAB Cc1ccc(N([C@@H](C)C(=O)NCCSCc2ccccc2F)S(C)(=O)=O)cc1 13673598 GCUWRIRYQWCXOK-INIZCTEOSA-N 424.563 3.338 0 40 HGAB Cc1ccc(C(C)C)c(OCCNC(=O)CN2C(=O)N[C@]3(CCCC[C@H]3C)C2=O)c1 19134371 RFVYAHAEOWIJMR-HXOBKFHXSA-N 415.534 3.114 0 40 HGAB COc1ccc(N(Cc2cccnc2)S(=O)(=O)c2cn(C(F)F)nc2C)cc1 19583347 CSNYNNLWCIOGJS-UHFFFAOYSA-N 408.430 3.386 0 40 HGAB O=C(CN1CC[C@@H](c2cc(COc3cccc(F)c3)[nH]n2)C1)NC1CCCCC1 19738949 WUFGHLVCPNVGDZ-MRXNPFEDSA-N 400.498 3.366 0 40 HGAB C[C@@H](NC(=O)Cn1cc(NC(=O)c2ccc(F)cc2)cn1)c1nc2ccccc2[nH]1 19749475 NLJYRSHOXIATPI-CYBMUJFWSA-N 406.421 3.028 0 40 HGAB CC[C@H](C)NS(=O)(=O)c1ccc(OCC(=O)N[C@@H](C)c2ccccc2OC)cc1 20019568 JUOSFPXBRDNNHQ-HOTGVXAUSA-N 420.531 3.028 0 40 HGAB COc1ccc([C@@H](C)NS(=O)(=O)c2ccc(N3CCCC3=O)c(C)c2)cc1OC 20452841 QIAWFIPXOFZUNS-OAHLLOKOSA-N 418.515 3.179 0 40 HGAB COc1ccc(S(=O)(=O)N(CC(=O)NCCC(C)C)Cc2ccccc2)cc1 21025892 FSWOUHKOIPUMMK-UHFFFAOYSA-N 404.532 3.048 0 40 HGAB C[C@H](NC(=O)CN1CCN(Cc2ccc3c(c2)CCO3)CC1)c1cc2ccccc2o1 22807178 IJFJFBVKLBJBTM-SFHVURJKSA-N 419.525 3.363 0 40 HGAB Cc1ccccc1CNC(=O)CN1CCN(Cc2ccc(Br)s2)CC1 22930891 QCEJBWAMOXQOCI-UHFFFAOYSA-N 422.392 3.253 0 40 HGAB COC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)CN1CCN(C)CC1 23477209 AYJANFZDSSEPIQ-UHFFFAOYSA-N 407.923 3.041 0 40 HGAB COc1ccc(CN2CCN(C(=O)CCc3nc(-c4ccccc4)no3)CC2)cc1F 23738277 PHPUXFDTIDBPAK-UHFFFAOYSA-N 424.476 3.161 0 40 HGAB O=C(c1ccc(OC(F)(F)F)cc1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 24301478 NOXDIJMLRVITOJ-UHFFFAOYSA-N 406.404 3.478 0 40 HGAB COc1ccc([C@H]2CCCN2C(=O)C2CCN(C(=O)c3ccncc3)CC2)cc1OC 24434188 VVHWICUNLFFVPF-HXUWFJFHSA-N 423.513 3.315 0 40 HGAB CCc1ccc(OC[C@H](O)Cn2c(C)cc(=O)n3nc(-c4ccccc4)cc23)cc1 24843887 LGMBVMOXMYOEML-HXUWFJFHSA-N 403.482 3.474 0 40 HGAB COC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 25155699 XFNPNUXVPRYCND-FQEVSTJZSA-N 411.889 3.493 0 40 HGAB O=C(O)[C@H]1CC(=O)N(c2ccc(S(=O)(=O)Nc3cccc4ccccc34)cc2)C1 25501534 LSZDYTXRUCYGIT-HNNXBMFYSA-N 410.451 3.078 0 40 HGAB O=C(NC1CCN(Cc2ccccc2)CC1)c1cccc(CN2C(=O)CSC2=O)c1 29562904 ZWWWNLBHSRKUOG-UHFFFAOYSA-N 423.538 3.276 0 40 HGAB Cc1cc(N2CCN(C(=O)c3ccc(OC[C@H]4CCCO4)cc3)CC2)nc(C(C)C)n1 31493630 BCVPXHQSFAEJCM-OAQYLSRUSA-N 424.545 3.429 0 40 HGAB O=S(=O)(/C=C/c1ccc(Cl)cc1)NC[C@@H](c1cccs1)N1CCOCC1 32513651 WTZUSYSJVLMUQV-BNXPMYBGSA-N 412.964 3.365 0 40 HGAB COC(=O)c1ccc(/C=C2/SC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc1 33728480 FTAQFNDHWVDGPX-OQLLNIDSSA-N 401.396 3.089 0 40 HGAB O=C(Nc1nnc(Cc2ccc(F)cc2)s1)[C@H]1CC(=O)N(c2ccccc2F)C1 36360390 JMXOWRSJHDJMKR-ZDUSSCGKSA-N 414.437 3.399 0 40 HGAB Cc1cccc(Cn2nccc2NC(=O)Cn2cnc3c(oc4ccccc43)c2=O)c1 40072342 OTCRXZRSUAIDDP-UHFFFAOYSA-N 413.437 3.335 0 40 HGAB CC(C)Cc1ccc(C(=O)C2CCN([C@H](C)C(=O)NC[C@@H]3CCCO3)CC2)cc1 40105852 ZEIOQYRCIKDMOT-GCJKJVERSA-N 400.563 3.464 0 40 HGAB CCSc1ccccc1NC(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(C)ccc2O1 44938715 GOMBRARYPGTTAI-KRWDZBQOSA-N 406.529 3.273 0 40 HGAB COc1ccc(OCc2nc(C)cc(=O)n2CC(=O)Nc2c(C)cccc2C)cc1 51319381 XDGYALSDJBJHDW-UHFFFAOYSA-N 407.470 3.395 0 40 HGAB Cc1ccccc1NC(=O)Cn1c(=O)n(Cc2ccccc2F)c(=O)c2sccc21 57426742 JDNSBDDKHAMOMI-UHFFFAOYSA-N 423.469 3.359 0 40 HGAB Cc1cc(=O)n(CC(=O)Nc2ccc(C)c(F)c2)c(N2CCc3ccccc3C2)n1 57506534 UMBOKPJVGQOZJI-UHFFFAOYSA-N 406.461 3.201 0 40 HGAB COCCN1CCN(c2c3c(nc4cc(-c5cccc(F)c5)nn24)CCCC3)CC1 57712258 QWWUYNYXSWPYGO-UHFFFAOYSA-N 409.509 3.183 0 40 HGAB CCOc1ccccc1N1CCN(CC(=O)Nc2ccc3c(c2)OC(F)(F)O3)CC1 58159715 GJRNWCSUQDJDFE-UHFFFAOYSA-N 419.428 3.168 0 40 HGAB CCc1ccccc1NC(=O)CSc1nnc2c(=O)n(-c3ccccc3)ccn12 64593432 AMDSNHXXUGYHCR-UHFFFAOYSA-N 405.483 3.173 0 40 HGAB COc1cccc(N2C(=O)C[C@H](c3ccc4c(c3)OCO4)c3sc(=O)n(C)c32)c1 66089816 IPYUNFLVZDXZDE-OAHLLOKOSA-N 410.451 3.384 0 40 HGAB Cc1cccc(C)c1NC(=O)Cn1cnc2nc(N3CCC[C@H](C)C3)sc2c1=O 67226180 VSMRYFUFSXWOIV-ZDUSSCGKSA-N 411.531 3.345 0 40 HGAB CCc1nc(C(=O)N2CC[C@H](N3CCCC3)C2)nn1-c1c(Cl)cccc1Cl 69982357 SPLUCSBYTLLQBN-ZDUSSCGKSA-N 408.333 3.447 0 40 HGAB O=C(Cn1ccc2ccc(F)cc21)Nc1cccc(N2CCCCS2(=O)=O)c1 71282752 TXGIVRCMKUPDSW-UHFFFAOYSA-N 401.463 3.349 0 40 HGAB O=C(CN1CCCCc2ccccc21)N(C1CCCCC1)[C@H]1CCS(=O)(=O)C1 72308624 QBPVSRPSYVGCTI-FQEVSTJZSA-N 404.576 3.178 0 40 HGAB O=C(Nc1ccc([C@H]2OCC(=O)N(Cc3ccccc3)[C@@H]2CO)cc1)C1CCCC1 72321110 TVRICKBBUHHLJZ-FYYLOGMGSA-N 408.498 3.276 0 40 HGAB biogenic,in-vitro Cc1ccnn1CCNC(=O)C1(Cc2cccc([C@H]3CCCN(C)C3)c2)CCOCC1 72372226 WAINUXBZYLSARP-QHCPKHFHSA-N 424.589 3.156 0 40 HGAB C[C@H](c1ccc(-n2cncn2)cc1)N(C)S(=O)(=O)N1CCC[C@H]2CCCC[C@@H]21 79048807 ULXXYBMROSVLGH-POAQFYNOSA-N 403.552 3.160 0 40 HGAB CCOC(=O)[C@H]1Oc2c(c(=O)oc3ccccc23)[C@H]1c1sc(N(C)C)nc1C 79190383 DZKUOXUUBOVHFI-CJNGLKHVSA-N 400.456 3.080 0 40 HGAB biogenic C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)N1CCC(Oc2cnc3ccccc3n2)CC1 90678528 BJKMMFXMNPFVGF-NYHFZMIOSA-N 405.454 3.228 0 40 HGAB CCOC(=O)[C@]12CCCN(Cc3ccc(C)s3)C[C@H]1CN(c1ncccn1)C2 96056058 DFBRMKJQZYUHIT-UWJYYQICSA-N 400.548 3.128 0 40 HGAB COC(=O)C[C@H](c1coc2ccc(OC)cc2c1=O)c1c(O)ccc2nsnc12 96223803 XWVDRPFEOZXPGV-LLVKDONJSA-N 412.423 3.207 0 40 HGAB COc1ccc(Br)c(C(=O)N2CCC(Oc3ccc(C)nn3)CC2)c1 96355473 RTQAYGCYNRNUBE-UHFFFAOYSA-N 406.280 3.240 0 40 HGAB O=C(CCN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O)Nc1ccccc1CN1CCCCC1 100774816 LZEUPNHNWZKZBX-FHQLIMNDSA-N 409.530 3.032 0 40 HGAB CC[C@@H](C(=O)NCCc1ccc(OC)cc1)N(c1cc(C)cc(C)c1)S(C)(=O)=O 220564835 IVKFFDXDQHRIPF-NRFANRHFSA-N 418.559 3.216 0 40 HGAB COc1cccc(CCCNC(=O)c2cc(N(C)S(C)(=O)=O)ccc2Cl)c1 222500478 YJODPGKUDCNEQN-UHFFFAOYSA-N 410.923 3.107 0 40 HGAB Cc1ccccc1OC[C@@H](C)NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1Cl 222523694 ZWWXOEFZVPWGLP-CQSZACIVSA-N 410.923 3.242 0 40 HGAB CCOc1ccc(S(=O)(=O)NCCSc2nc(-c3ccccc3)n[nH]2)cc1C 222996034 WNFUNPCBYQHLQR-UHFFFAOYSA-N 418.544 3.249 0 40 HGAB CCOC(=O)C1(c2ccc(NC(=O)c3cnc4sc(C)c(C)n4c3=O)cc2)CC1 223038293 DGXHMQGVWWKYHK-UHFFFAOYSA-N 411.483 3.220 0 40 HGAB CCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CCc1ccc2c(c1)OCCO2 224132063 MUDHPBGXKZUNAN-HXUWFJFHSA-N 410.514 3.334 0 40 HGAB Cc1cccc(C)c1N(CC(=O)Nc1nnc(-c2ccccc2)s1)S(C)(=O)=O 224647792 VXVJYOCJSWCEBU-UHFFFAOYSA-N 416.528 3.227 0 40 HGAB Cc1cccc(OCCNC(=O)CCCN(c2cc(C)cc(C)c2)S(C)(=O)=O)c1 224655893 PULTVNHGULPHHM-UHFFFAOYSA-N 418.559 3.353 0 40 HGAB CCOc1ccccc1N(CC(=O)Nc1ccc(N2CCCC2)cc1)S(C)(=O)=O 224904538 MUBBNYPBPMESRX-UHFFFAOYSA-N 417.531 3.090 0 40 HGAB CN(CC(=O)NCCSCc1cccc(Cl)c1)S(=O)(=O)c1ccccc1 225779553 KNKRDUZVIFCVHW-UHFFFAOYSA-N 412.964 3.010 0 40 HGAB CCc1nccn1CC(=O)N1CCC[C@@H](c2ncc(Cc3ccc(OC)cc3)o2)C1 257273615 NHLAQLTUPLZINX-GOSISDBHSA-N 408.502 3.439 0 40 HGAB COc1ccc(N([C@H](C)C(=O)N[C@H](C)c2cc(C)ccc2C)S(C)(=O)=O)cc1 260452956 BEGIJHOYLVAVPA-IAGOWNOFSA-N 404.532 3.344 0 40 HGAB COc1cccc(CN2CCC[C@@]3(CN(Cc4c[nH]c(C)n4)CC(F)(F)C3)C2=O)c1 306128385 GZAVYJLTZBWRFV-OAQYLSRUSA-N 418.488 3.377 0 40 HGAB O=C(Nc1ccccc1)c1nnc2n1C[C@@H]1CN(Cc3ccc(Cl)cc3)C[C@@H]1C2 306136573 PXHLWRKVAIHQRS-IRXDYDNUSA-N 407.905 3.488 0 40 HGAB Cn1ccc(C(=O)N2CCC[C@H](c3nc4ccc(-c5cccc(F)c5)cn4n3)C2)n1 306140975 VHYQWHXJZPYPGY-KRWDZBQOSA-N 404.449 3.289 0 40 HGAB CCS(=O)(=O)N(CC(=O)Nc1ccc(Cl)cc1C)c1ccc2c(c1)OCO2 408705583 IZCUKYVCXYDDOU-UHFFFAOYSA-N 410.879 3.172 0 40 HGAB Cc1ccc(OCc2nn(CC(=O)N3CCN(c4ccccc4)CC3)c(=S)o2)cc1 409152352 JPWQQXLNGOGLNC-UHFFFAOYSA-N 424.526 3.442 0 40 HGAB CC(=O)N1CCN(Cc2ccc(NC(=O)c3n[nH]c4ccc(Cl)cc34)cc2)CC1 503950043 XTGVERCNUPDQDT-UHFFFAOYSA-N 411.893 3.133 0 40 HGAB COc1ccccc1NC(=O)COc1ccc(C(=O)N2C[C@H]3CC[C@H]2C3)cc1OC 516537352 BEDBEKOWNKFKIN-RDJZCZTQSA-N 410.470 3.346 0 40 HGAB Cc1cccc(Nc2cc(CC3CCN(C(=O)/C=C/c4ccnn4C)CC3)ncn2)n1 585293333 ZZZJMLJJEIZIHT-VOTSOKGWSA-N 417.517 3.152 0 40 HGAB CCn1cc(NC(=O)[C@H]2C[C@H]2c2ccc(OCc3ccccc3)cc2)c(C(N)=O)n1 1522848711 HQIMSGPBUXEQHN-OALUTQOASA-N 404.470 3.323 0 40 HGAB O=C(CC(c1ccccc1)c1ccccc1)N1CCN(c2ncc(F)cn2)C(=O)C1 1775965848 MEMXMQXOOSKEDC-UHFFFAOYSA-N 404.445 3.013 0 40 HGAB O=C(c1cc(Br)cs1)N1CCN(c2ccc(C(F)(F)F)nn2)CC1 1888853284 POQAEMMKLIGGQB-UHFFFAOYSA-N 421.242 3.282 0 40 HGAB CC(=O)Nc1ccc(C(=O)N2CCC(Oc3ncc(-c4ccncc4)cn3)CC2)cc1 1889240327 OOQYJXWOGRBIIN-UHFFFAOYSA-N 417.469 3.181 0 40 HGAB Cc1ccccc1NC(=O)COC(=O)[C@H]1CC(=O)N(c2ccc(OC(C)C)cc2)C1 800580 PEZCHLARWCYHQL-KRWDZBQOSA-N 410.470 3.317 0 40 HGAB CCn1c(Cc2ccc3c(c2)OCO3)nnc1SCC(=O)N1[C@@H](C)CCC[C@@H]1C 1325518 AMGNBMRUKUPDEO-GJZGRUSLSA-N 416.547 3.499 0 40 HGAB CCCc1cc(=O)oc2c(C)c(O[C@H](C)C(=O)N[C@H](C(=O)O)[C@@H](C)CC)ccc12 2156001 FYRDRWHCLLNEML-CFZJUORYSA-N 403.475 3.437 0 40 HGAB biogenic CCOC(=O)[C@@](NC(=O)c1cccnc1)(Nc1cccc(Cl)c1)C(F)(F)F 2256996 JAIMCKOJJYZFAX-INIZCTEOSA-N 401.772 3.399 0 40 HGAB Cc1sc2nc(SCC(=O)Nc3ccc4c(c3)OCO4)n(C)c(=O)c2c1C 2396435 HHTPYNAONMFNLF-UHFFFAOYSA-N 403.485 3.071 0 40 HGAB CC(C)CC[C@@]1(C)NC(=O)N(CC(=O)Nc2ccc(OC(F)(F)F)cc2)C1=O 2622306 KXLCPRWQRAGPJN-QGZVFWFLSA-N 401.385 3.270 0 40 HGAB O=S(=O)(c1ccc2ccccc2c1)N1CCN(c2ncnc3sccc23)CC1 2640413 AYVHQQUYQHFZHK-UHFFFAOYSA-N 410.524 3.355 0 40 HGAB CC(=O)Nc1ccc(S(=O)(=O)N2CCN=C2SCc2ccc(C)cc2)cc1 2711652 UDHAFERTLHCPKF-UHFFFAOYSA-N 403.529 3.247 0 40 HGAB O=C(COC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)c1ccc(Br)cc1 3016652 GQTNTJJOPOKUQC-AWEZNQCLSA-N 402.244 3.228 0 40 HGAB Cc1cccc(N2CCN(C(=O)COc3ccc4c(C)cc(=O)oc4c3)CC2)c1C 3325013 QFAOGMDVZJUHND-UHFFFAOYSA-N 406.482 3.446 0 40 HGAB biogenic C[C@@H](OC(=O)CCNC(=O)c1ccc(N)cc1)C(=O)Nc1cc(Cl)cc(Cl)c1 3362321 MUAGLSWCDZVMCU-LLVKDONJSA-N 424.284 3.266 0 40 HGAB CCN1C(=O)[C@](O)(CC(=O)c2cccc(OC)c2)c2cc(Br)ccc21 4555033 DQBSYVDZLNUMAC-IBGZPJMESA-N 404.260 3.285 0 40 HGAB COc1ccc([C@@H](OCC(=O)O)c2nccc3cc(OC)c(OC)cc23)cc1OC 4710414 IUOYSTUUNZSRJH-JOCHJYFZSA-N 413.426 3.460 0 40 HGAB Cc1cc2c(cc(C(=O)O[C@H](C)C(=O)NCc3ccc4c(c3)OCO4)n2C)s1 4967143 UWYIFULJTZTXCE-GFCCVEGCSA-N 400.456 3.139 0 40 HGAB O=C(CSc1nnc(Cc2ccc(Cl)cc2)c(=O)[nH]1)Nc1ccc(F)cc1 5154711 ZDYHICASSACDLA-UHFFFAOYSA-N 404.854 3.279 0 40 HGAB COCCCn1c(C(=O)Nc2cccc(F)c2)cc2c(=O)n3cccc(C)c3nc21 5322630 CRWUUZNXSBARRJ-UHFFFAOYSA-N 408.433 3.386 0 40 HGAB C[C@H](Sc1nncn1-c1cccc(Cl)c1)C(=O)Nc1ccc(C(N)=O)cc1 5891621 GPQOWSLXWKZXAG-NSHDSACASA-N 401.879 3.139 0 40 HGAB CCc1nnc(NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccccc2)s1 6135559 XUTMOPOEBJSDPE-UHFFFAOYSA-N 423.527 3.474 0 40 HGAB CCNC(=O)c1cc(S(=O)(=O)Nc2cccc(Br)c2)c(C)s1 6680072 GFSVCLURAZMJCR-UHFFFAOYSA-N 403.323 3.370 0 40 HGAB CC(C)C[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccccc1 7037002 XYXMSUBDVMTBER-OAQYLSRUSA-N 416.543 3.225 0 40 HGAB COC(=O)c1c(CN2CCC(C(N)=O)CC2)nc2ccccc2c1-c1ccccc1 7459215 MVPAXQHFDCQBRQ-UHFFFAOYSA-N 403.482 3.386 0 40 HGAB CC(=O)c1ccc(N2CCN(C(=O)C3CCN(C(=O)OC(C)(C)C)CC3)CC2)cc1 8170490 WCPBSTKNZZLBFQ-UHFFFAOYSA-N 415.534 3.185 0 40 HGAB CCOC(=O)C1=C(C)N=c2s/c(=C\C=C\c3ccco3)c(=O)n2[C@H]1c1ccccc1 8443674 LXDSXHRYVSDJGD-ZOQYWAJWSA-N 420.490 3.056 0 40 HGAB CSc1nc(NCC(C)C)c2cnn(CCNC(=O)c3ccccc3F)c2n1 8942455 FUUYKQPIYHXYOK-UHFFFAOYSA-N 402.499 3.185 0 40 HGAB Cc1ccc(C(=O)CSc2nnc(-c3cc(-c4ccc(F)cc4)n[nH]3)n2N)cc1 9012628 ZDZZGHBRBQTBSY-UHFFFAOYSA-N 408.462 3.472 0 40 HGAB CCOC(=O)/C=C1\SCC(=O)N1CCOC(=O)Cc1c(Cl)cccc1Cl 9364079 NOONVZKWEVBSIP-DHDCSXOGSA-N 418.298 3.059 0 40 HGAB O=C(NC[C@H](c1ccco1)N1CCCC1)C1CCN(C(=O)c2cccs2)CC1 9884398 OQVXWPYSIPDLKL-QGZVFWFLSA-N 401.532 3.147 0 40 HGAB O=C(CNc1ccccc1Br)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1 10186180 SZCMROLGIFYDLN-OAHLLOKOSA-N 423.332 3.081 0 40 HGAB O=C(Nn1cnc2c(cnn2-c2ccccc2)c1=O)c1ccc(Cl)cc1Cl 10251181 FQXDIJQXPWJTKB-UHFFFAOYSA-N 400.225 3.273 0 40 HGAB CN(Cc1ccccc1N1CCCCC1)C(=O)c1ccc(CS(C)(=O)=O)cc1 10899117 VMNNTYXXGLPWTP-UHFFFAOYSA-N 400.544 3.494 0 40 HGAB C[C@H](NC(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1)c1ccccc1 11763267 RJKVIIDTBAEERV-ZDUSSCGKSA-N 418.423 3.237 0 40 HGAB Cc1ccc(N2N=C(C(=O)O[C@@H](C)C(=O)N3CCC(C)CC3)CCC2=O)cc1Cl 11954967 BCMGVIJZISNNRY-HNNXBMFYSA-N 419.909 3.321 0 40 HGAB Cn1cc(OCc2ccc(F)cc2)c(=O)cc1C(=O)N1CCN(c2ccccc2)CC1 12069865 RAZDYZLKWDPQFY-UHFFFAOYSA-N 421.472 3.066 0 40 HGAB O=S(=O)(c1ccccc1F)N1CCC(O)(Cn2ccc3nc(Cl)ccc32)CC1 12182282 BDKNHFHLLQLGOC-UHFFFAOYSA-N 423.897 3.045 0 40 HGAB C[C@H]1CN(C(=O)CSc2nnc(-c3ccncc3)n2-c2ccccc2)C[C@@H](C)O1 12470146 WLQVDDZRPISVKF-IYBDPMFKSA-N 409.515 3.057 0 40 HGAB Cc1cc(C)cc(C(=O)NCC(=O)N[C@@H](c2ccc(Cl)cc2)c2nccn2C)c1 12560368 AQAWKOHLPMBIOA-FQEVSTJZSA-N 410.905 3.326 0 40 HGAB CN1CCN(c2ccc(C(F)(F)F)cc2NC(=O)[C@@H]2COc3ccccc3O2)CC1 12732595 IXOJCRZDOURNRY-IBGZPJMESA-N 421.419 3.236 0 40 HGAB COc1ccc(NC(=O)NC(=O)CN(Cc2cccs2)C[C@H]2CCCO2)cc1 12786445 JZTSODDVHGUAGB-QGZVFWFLSA-N 403.504 3.086 0 40 HGAB CC(=O)Nc1ccc(NC(=O)[C@H](C)N2CCC(C(=O)Nc3ccccc3O)CC2)cc1 12795332 ITKYIHBPSPLISQ-HNNXBMFYSA-N 424.501 3.028 0 40 HGAB COc1ccc2c(C)c(CCC(=O)N[C@@H]3CCN(Cc4ccccc4)C3)c(=O)oc2c1 12808010 RLVJVAAKZFIWAJ-LJQANCHMSA-N 420.509 3.433 0 40 HGAB COc1cc(C(=O)N2CCN(C(C)=O)CC2)ccc1OCc1ccc(Cl)cc1 12971529 YQOCECCZRLXKQH-UHFFFAOYSA-N 402.878 3.232 0 40 HGAB Cc1cc(C(=O)CSc2nnc3ccc(Cl)nn23)c(C)n1C[C@H]1CCCO1 13098189 UZENNDCAANOHFY-CYBMUJFWSA-N 405.911 3.350 0 40 HGAB COc1ccc(Cc2c(O)nc(SCC(=O)Nc3cccc(C)c3)[nH]c2=O)cc1 13453966 LPEXEHSKSVZXDH-UHFFFAOYSA-N 411.483 3.114 0 40 HGAB Cc1ccc(S(=O)(=O)N(CC(=O)NCCCOC(C)C)C2CCCCC2)cc1 14135455 BJWPSVKIVOBVPF-UHFFFAOYSA-N 410.580 3.250 0 40 HGAB COC(=O)c1c(C)[nH]c(C(=O)N2CCN(Cc3c(F)cccc3Cl)CC2)c1C 14166439 ZWHUANCPDBXULU-UHFFFAOYSA-N 407.873 3.169 0 40 HGAB O=C(NC1CCCC1)c1ccccc1NC(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1 14423782 XACUZPHICHRTDQ-IBGZPJMESA-N 419.525 3.389 0 40 HGAB C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CCS(=O)(=O)Oc2ccccc2)C1=O 15236688 URBBEKQTDJOEAR-QFIPXVFZSA-N 424.478 3.016 0 40 HGAB C[C@H](c1ccc(-n2cncn2)cc1)N(C)CC(=O)N(Cc1ccco1)CC(F)(F)F 16699023 PRSARNVVZSPZAC-OAHLLOKOSA-N 421.423 3.444 0 40 HGAB Nc1c(S(=O)(=O)c2cccc(Cl)c2)c2nc3ccccc3nc2n1CCCO 16757345 VELPDOCQOZQNIR-UHFFFAOYSA-N 416.890 3.035 0 40 HGAB Cc1cc(-c2cccs2)nc([C@H]2CCCN(C(=O)C[C@@H]3CCS(=O)(=O)C3)C2)n1 19117655 SAHYNVIIEWKDNG-HOTGVXAUSA-N 419.572 3.044 0 40 HGAB COc1ccc2nc(CN3CCC(c4nnc(-c5cnccn5)o4)CC3)ccc2c1 19563689 WLSKSGHIGSBZBV-UHFFFAOYSA-N 402.458 3.463 0 40 HGAB Cc1nn(C)cc1C(=O)N1CCCC[C@@H]1c1ncccc1C(=O)NCc1ccccc1 19699007 DLIDENSSNTUPSV-OAQYLSRUSA-N 417.513 3.421 0 40 HGAB CC(=O)N1CCc2nc([C@@H]3CCCN(C)C3)nc(NCc3cccc(C)c3C)c2C1 19711311 UVXNJRTZBNRLAC-HXUWFJFHSA-N 407.562 3.419 0 40 HGAB Cc1cccc2c(C(=O)Nc3nc(CC(N)=O)cs3)cc(-c3ccccn3)nc12 19716614 XWWBGPAOALOSBQ-UHFFFAOYSA-N 403.467 3.342 0 40 HGAB Cc1c(Cl)cccc1NC(=O)C(=O)NC[C@H](c1cn(C)c2ccccc12)N(C)C 21698401 MNMVPFHCNRAGKW-HXUWFJFHSA-N 412.921 3.498 0 40 HGAB CCCCOCCCNC(=O)[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(C)C 22698812 SKCWOEUWANWOSX-NRFANRHFSA-N 420.575 3.466 0 40 HGAB CC(=O)c1ccc(NC(=O)c2ccn(Cn3nc(C)c(Br)c3C)n2)cc1 27973350 QJSXSXXICZDQPS-UHFFFAOYSA-N 416.279 3.420 0 40 HGAB C[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N1CCN(C)C[C@@H]1c1ccccc1 30029708 POGNYJALLLGSEA-AVCOGWMQSA-N 409.574 3.223 0 40 HGAB Cc1ccc(-c2nc(CS[C@@H](C)C(=O)N[C@@H]3CCS(=O)(=O)C3)cs2)cc1 31411902 OYBUWOGTBDYDKZ-DZGCQCFKSA-N 410.586 3.044 0 40 HGAB COc1ccc([C@H](CNC(=O)c2cc(-c3cccs3)on2)N(C)C)cc1OC 32622649 NHCMPMVUSCTLPV-HNNXBMFYSA-N 401.488 3.453 0 40 HGAB COc1ccc(Br)cc1CN(C)C(=O)[C@@H]1CCCN(c2cnccn2)C1 32777412 XNVQWSPUAJUENN-CQSZACIVSA-N 419.323 3.123 0 40 HGAB O=[S@](CCSc1nnc(N2CCOCC2)n1-c1ccccc1)c1ccccc1 32931624 NTJYPGBXFMXJAE-NDEPHWFRSA-N 414.556 3.004 0 40 HGAB CCN(CC(=O)Nc1cccc(Br)c1)S(=O)(=O)c1ccc(C)cc1 33779497 LNCRALGQGDLBJU-UHFFFAOYSA-N 411.321 3.407 0 40 HGAB COc1ccccc1CN1CCN([C@H](c2ccccc2)c2nnnn2C(C)(C)C)CC1 35290714 PFAYLWYCLBPQQO-JOCHJYFZSA-N 420.561 3.344 0 40 HGAB CS(=O)(=O)c1ccc(Nc2nc(C(=O)Nc3ccc4c(c3)OCO4)cs2)cc1 35596774 USIPXSBSKLGSMK-UHFFFAOYSA-N 417.468 3.271 0 40 HGAB CCc1ccccc1NC(=O)CN1CCN(C(=O)COc2cc(C)cc(C)c2)CC1 36408677 ZAFXQUHQSVUYPG-UHFFFAOYSA-N 409.530 3.028 0 40 HGAB CC[C@H](CCNS(=O)(=O)c1cn(C(F)F)nc1C)n1ccc(C(F)(F)F)n1 36615153 LVGSHGRNRPZMJG-SNVBAGLBSA-N 415.388 3.122 0 40 HGAB C[C@H](OC(=O)CNC(=O)c1cccc(OC(F)F)c1)c1nnc(-c2cccs2)o1 36784049 YLNDGGJOJOKISK-JTQLQIEISA-N 423.397 3.434 0 40 HGAB COc1ccc([C@H]2CCCCCN2C[C@H](O)CN2C(=O)c3ccccc3C2=O)cc1 40051359 DHLQMQQQQLGETD-PGRDOPGGSA-N 408.498 3.269 0 40 HGAB COc1cc([C@H]2CC(O)=Nc3c2ncn3-c2cccc(F)c2)ccc1OCC(N)=O 40285934 PORCUSDXXSNAFF-OAHLLOKOSA-N 410.405 3.008 0 40 HGAB CC[C@@H](NC(=O)[C@@H]1CCN(S(C)(=O)=O)c2ccccc2O1)c1ccc(C)c(C)c1 44856588 QBDANFHPHBDNFA-NQIIRXRSSA-N 416.543 3.488 0 40 HGAB C[C@H]1C[C@H](C)CN(Cc2ccccc2CNC(=O)C2CCN(C(=O)C3CC3)CC2)C1 48353704 LKLDGJMYDREKQK-OALUTQOASA-N 411.590 3.429 0 40 HGAB Cn1ccnc1[C@@H](NC(=O)NC1CCN(Cc2ccccc2)CC1)c1ccccc1 55044130 MYBIUEVTKKGSLP-QFIPXVFZSA-N 403.530 3.473 0 40 HGAB COc1cccc(OC)c1OC1CCN(Cc2cc(=O)n3c(C)csc3n2)CC1 58015383 LUIYBEVQYXNAEN-UHFFFAOYSA-N 415.515 3.125 0 40 HGAB COc1ccccc1CC(=O)N1CCCN(C(=O)c2cc(-c3ccccc3)on2)CC1 58166320 IVYJXZBGGMJUTA-UHFFFAOYSA-N 419.481 3.267 0 40 HGAB CCn1c(CN[C@H](C)c2ccc(F)c(F)c2)nc2cc(S(=O)(=O)N(C)C)ccc21 58170508 VNINISDJEULANV-CYBMUJFWSA-N 422.501 3.436 0 40 HGAB O=C(N[C@@H](CSc1ccccc1)CC(=O)N1CCOCC1)OCc1ccccc1 65734735 RHPYQTFRGJXXJX-LJQANCHMSA-N 414.527 3.323 0 40 HGAB in-vitro O=C(c1n[nH]c2c1CCCC2)N1CCC(c2nc(-c3ccc4c(c3)OCO4)no2)CC1 67206050 CMUZRGOAVVAOPR-UHFFFAOYSA-N 421.457 3.087 0 40 HGAB Cc1cccc(-n2c(=O)c3sccc3n(CC(=O)Nc3ccccc3)c2=O)c1C 67218420 CQPPHBYMESJWCN-UHFFFAOYSA-N 405.479 3.469 0 40 HGAB C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3C[C@H](O)[C@]12C 70691804 BHQCQFFYRZLCQQ-WXWLYLEXSA-N 408.579 3.449 0 40 HGAB biogenic COc1ccccc1[C@@H](CNC(=O)c1ccc(N2CCNC2=O)c(C)c1)N1CCCC1 72272994 VSWKFGJRDXABBB-OAQYLSRUSA-N 422.529 3.100 0 40 HGAB Cc1cc(-c2cnc(N3CCC[C@](O)(c4nccn4C)CC3)nc2-c2ccco2)on1 72338440 NGSVFOCFXLYAOP-JOCHJYFZSA-N 420.473 3.312 0 40 HGAB Cc1cc(C(=O)Nc2cccc(C(=O)N3CCC[C@@H](CO)C3)c2)nn1-c1ccccc1 95465521 PYXJARCGROUECL-GOSISDBHSA-N 418.497 3.278 0 40 HGAB COc1cc(OC)cc(C2=NN(C(=O)CCC(=O)O)[C@H](c3ccccc3OC)C2)c1 95532116 KXKQNGFQNBVSEL-IBGZPJMESA-N 412.442 3.255 0 40 HGAB Cc1ccccc1NC(=O)N1CC[C@@H]2CN(Cc3ccccc3)S(=O)(=O)[C@@H]2CC1 96145355 IDXINASJRYEJRC-TZIWHRDSSA-N 413.543 3.453 0 40 HGAB COc1cc(OC)cc(C(=O)NC2CCN(c3cc(-c4ccccc4)n[nH]3)CC2)c1 98212579 XGXGLGSJVIOVKB-UHFFFAOYSA-N 406.486 3.493 0 40 HGAB Cc1ccc(N2CCN(S(=O)(=O)C[C@@]34CC[C@H](CC3=O)C4(C)C)CC2)cc1Cl 100196784 IQDOZLCPRLZJSR-IERDGZPVSA-N 424.994 3.496 0 40 HGAB C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)COc1ccc(N2CCCC2=O)cc1 107510143 XBHQIULKOZHLCJ-WMZHIEFXSA-N 421.541 3.219 0 40 HGAB Cc1ccc(N2CCC(C(=O)Nc3cccc(N(C)S(C)(=O)=O)c3)CC2)cc1 219855817 LUXSRRJBLPGXFT-UHFFFAOYSA-N 401.532 3.246 0 40 HGAB C[C@H](C(=O)Nc1cccc(Br)c1)N(c1ccccc1F)S(C)(=O)=O 220294619 QAGCZTYAVYPJDX-LLVKDONJSA-N 415.284 3.381 0 40 HGAB CCSc1nnc(NC(=O)[C@@H](C)N(c2ccc(C)c(C)c2)S(C)(=O)=O)s1 223554398 OUIBSMBDWGXYBA-GFCCVEGCSA-N 414.578 3.060 0 40 HGAB Cc1cc(C)cc(N([C@@H](C)C(=O)NCCOc2cccc(C)c2C)S(C)(=O)=O)c1 223919870 PLWIOBXWIPNSBV-IBGZPJMESA-N 418.559 3.270 0 40 HGAB COc1cc(CNC(=S)Nc2cccc(N3CCCC3=O)c2)cc(OC)c1OC 225574309 LGLZAEZRFLIBFM-UHFFFAOYSA-N 415.515 3.326 0 40 HGAB COc1ccc(CC(=O)NC[C@H]2CC[C@H](c3nnc(-c4cnc(C)cn4)o3)CC2)cc1 257212659 CEJNYIHFYIZHRE-IYARVYRRSA-N 421.501 3.476 0 40 HGAB NC(=O)C[C@]1(COc2ccc(F)cc2)CCCN(C(=O)CCc2ccc(F)cc2)C1 257261558 LHWASINIHBVVAF-HSZRJFAPSA-N 416.468 3.461 0 40 HGAB COc1ccc([C@H]2CN(C(=O)C3(Cc4ccccc4)CCN(C)CC3)CCN2C)cc1 257264201 LTHYRVPCMCCIOP-XMMPIXPASA-N 421.585 3.465 0 40 HGAB Cc1ccc(N(CC(=O)NCCSCc2ccccc2C)S(C)(=O)=O)cc1 409028698 QMFIBVSPDKUJKT-UHFFFAOYSA-N 406.573 3.119 0 40 HGAB COc1cccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccc(C)cc3)[C@H]2c2ccccc2)c1 409056020 DOWRTWURRWOJRY-HFXBMHRVSA-O 414.485 3.020 0 40 HGAB CCOC(=O)COc1ccc(/C=C2/SC(=O)N(CCCOC)C2=O)cc1OCC 409250608 XOWVJIQXSJENKK-SFQUDFHCSA-N 423.487 3.100 0 40 HGAB CCN(CC)C[C@@H]1CC2(CCN(C(=O)c3sc(Br)nc3C)CC2)O1 503790643 PSWAAQSKRIYQCT-ZDUSSCGKSA-N 416.385 3.320 0 40 HGAB CC(C)(C)c1cn2nc(OCC3CCN(C(=O)NC4CCOCC4)CC3)ccc2n1 1888868636 WADNLTXZIRTJLJ-UHFFFAOYSA-N 415.538 3.006 0 40 HGAB CC(C)(C)OC(=O)N1CCC(CN2CCN(c3ccc(C(=O)O)cc3)CC2)CC1 2362803869 WTXCGCONJDEFFV-UHFFFAOYSA-N 403.523 3.154 0 40 HGAB COc1ccccc1C(=O)Oc1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1 706535 CIMVXINUFLXUTC-UHFFFAOYSA-N 408.435 3.475 0 40 HGAB C[C@]12NC(=S)N[C@H](c3cc(Br)ccc3O1)[C@H]2C(=O)Nc1ccccc1 861721 TWSWFATZOVQBPS-DAYGRLMNSA-N 418.316 3.331 0 40 HGAB COc1ccc2cc(CN(Cc3cccnc3)C(=S)NCC(C)C)c(=O)[nH]c2c1 879648 RIASXMSOZTWJKI-UHFFFAOYSA-N 410.543 3.464 0 40 HGAB COC(=O)c1ccc(NC(=O)CSc2nnc(CNc3ccc(F)cc3)o2)cc1 917709 HFEGFRBAWPXWOD-UHFFFAOYSA-N 416.434 3.338 0 40 HGAB COc1ccc(N(CC(=O)Nc2ccccc2C(C)C)S(C)(=O)=O)c(OC)c1 982715 QJHIUYHJMFQMGG-UHFFFAOYSA-N 406.504 3.232 0 40 HGAB CCc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1 1289988 JCNGLTOXMPFFIF-OAHLLOKOSA-N 400.862 3.437 0 40 HGAB CCc1cccc(C)c1NC(=O)CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O 2651422 RBWVNUWJIMNVGO-LJQANCHMSA-N 404.470 3.140 0 40 HGAB COc1ccc(CCNC[C@H](O)COc2cccc(Br)c2)cc1OC 3401611 UTIORZKNJBFTDB-INIZCTEOSA-N 410.308 3.038 0 40 HGAB O=C(COC(=O)c1cc(-c2cccs2)nn1-c1ccccc1)NCC(F)(F)F 3431720 NAKYLSRGQQATII-UHFFFAOYSA-N 409.389 3.436 0 40 HGAB COc1cc2c(cc1OC)[C@@H](C)N(C(=O)N[C@H]1CC(=O)N(c3ccccc3)C1)CC2 4359950 QRSYOBGMQPEMBF-WBVHZDCISA-N 409.486 3.138 0 40 HGAB CS(=O)(=O)N1CCCc2cc(C(=O)Nc3ccc(Br)cc3)ccc21 5278081 BOYQXHSFKLPNHP-UHFFFAOYSA-N 409.305 3.414 0 40 HGAB CCOc1ccc2nc(COC(=O)c3ccccc3Cl)c(C(C)=O)[n+]([O-])c2c1 5563238 MQVQAEHBMNFYEL-UHFFFAOYSA-N 400.818 3.480 0 40 HGAB CCN(CC)S(=O)(=O)c1cc(NS(=O)(=O)c2cccc(Cl)c2)ccc1C 6023949 YQNBJHXONSPDHP-UHFFFAOYSA-N 416.952 3.480 0 40 HGAB CCCNC(=O)COc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2)cc1Cl 6138667 CROOCHPCCXWEFP-CQSZACIVSA-N 410.923 3.285 0 40 HGAB COc1ccc(CC[C@]2(C)NC(=O)N(CC(=O)Nc3ccc4c(c3)CCC4)C2=O)cc1 6589150 UWROPDMHEPHOQD-DEOSSOPVSA-N 421.497 3.066 0 40 HGAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)OC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 6609335 IKMPQJFZPUHJAH-CQSZACIVSA-N 414.483 3.155 0 40 HGAB CCCOc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccc(F)cc3)CC2=O)cc1 6880964 KGARSTRQNBUQFL-OAHLLOKOSA-N 414.433 3.149 0 40 HGAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)Cn2nnc(-c3ccc(C)cc3)n2)c1 6978898 JUUBUZHJPIMVQF-IBGZPJMESA-N 407.474 3.029 0 40 HGAB O=C(c1cc2ccccc2[nH]1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 8026444 VAXICUMOWFIAMF-UHFFFAOYSA-N 409.920 3.030 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cc(F)ccc3C)C2)cc1 8075759 VSPMDAYWMSCRLL-HNNXBMFYSA-N 406.479 3.182 0 40 HGAB Cc1nc(SCC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)n(CC(C)C)c1C 8131078 GTSGHCDFGXDWLF-UHFFFAOYSA-N 424.592 3.137 0 40 HGAB CCNc1nnc(SCC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)s1 8185440 ZMWMRIOUVOAQCR-CYBMUJFWSA-N 406.533 3.197 0 40 HGAB COC(=O)c1cccc(NC(=O)CSc2nnc(COc3ccccc3C)o2)c1 8571649 ZBOWZHKBTXPDJR-UHFFFAOYSA-N 413.455 3.474 0 40 HGAB O=S(=O)(c1ccc(Cl)c(C(F)(F)F)c1)N1CCN(c2nccs2)CC1 9515532 STOUSYURGJYJCW-UHFFFAOYSA-N 411.858 3.326 0 40 HGAB CC(C)CCNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1 10128748 RNMLLUQHNXHAKC-IBGZPJMESA-N 408.951 3.392 0 40 HGAB O=C(NCCOc1ccc2nnc(-c3ccccc3Cl)n2n1)c1ccc(F)cc1 11693920 XPOUWSFCUHHIGP-UHFFFAOYSA-N 411.824 3.393 0 40 HGAB COc1cccc(CNc2nc(O)cc([C@@H]3CNC[C@H]3c3cccc(OC)c3)n2)c1 12163793 CJPZORREECGAOG-VQTJNVASSA-N 406.486 3.282 0 40 HGAB COc1ccc(CC(=O)N[C@H]2CC(C)(C)Cc3nc(-c4cnccn4)ncc32)cc1F 12239065 KZPUAJPBSDLDSX-KRWDZBQOSA-N 421.476 3.454 0 40 HGAB COc1cccc2[nH]c(C(=O)N3CCC([C@@H](NC(C)=O)c4nccs4)CC3)cc12 12365768 GNNLGDSHDBGEGY-LJQANCHMSA-N 412.515 3.363 0 40 HGAB C[C@H]1CCC[C@@H](C)N1S(=O)(=O)c1ccc(NC(=O)CCNC(=O)C(C)(C)C)cc1 12765253 PVRUPPZPKGYLOD-IYBDPMFKSA-N 423.579 3.129 0 40 HGAB CCN(CC(=O)Nc1ccccc1OC)C(=O)c1nn(-c2ccccc2)c2c1CCC2 12785178 BYBADEMQZQOQRH-UHFFFAOYSA-N 418.497 3.470 0 40 HGAB O=C(Nc1ccc(C(=O)NC2CC2)cc1)c1ccc(I)cc1 12915116 PJIIBBCIKBPLAC-UHFFFAOYSA-N 406.223 3.436 0 40 HGAB CC[C@@H]1CCc2sc(-c3nnc(SCC(=O)NCCCC(=O)O)n3C)cc2C1 12916427 QOASUYPYYCHXHC-GFCCVEGCSA-N 422.576 3.132 0 40 HGAB O=S(=O)(N[C@H](CN1CCOCC1)c1ccccc1)c1c(Cl)cccc1Cl 14871093 NZNVUURCIUCYGZ-QGZVFWFLSA-N 415.342 3.345 0 40 HGAB CC(C)NS(=O)(=O)c1ccc(NC(=O)CCc2cnn(-c3ccccc3)c2)cc1 15810429 YRIBYEHUJAGGPH-UHFFFAOYSA-N 412.515 3.130 0 40 HGAB O=S(=O)(c1cccc(Cl)c1)N1CCC[C@@H](c2nnc(-c3cccnc3)o2)C1 19293467 DGPTZEDKQHDVGZ-CQSZACIVSA-N 404.879 3.353 0 40 HGAB O=C(Cc1ccc2c(c1)CCCC2)N1CCO[C@@H](c2nc(-c3ccncc3)no2)C1 19345681 OADJRFDYCRSWBQ-HXUWFJFHSA-N 404.470 3.153 0 40 HGAB CC(C)NC(=O)[C@]1(Cc2cccc(-c3ccncc3)c2)CCN(C(=O)c2cc[nH]n2)C1 19449358 BUMHPYAEVSKURT-DEOSSOPVSA-N 417.513 3.071 0 40 HGAB CCn1c(CNC(=O)[C@H]2CCCN2c2ncnc3ccccc23)nc2ccccc21 19524342 BKKYJANKRSTCAI-HXUWFJFHSA-N 400.486 3.285 0 40 HGAB CCc1cc2c(=O)n(CC(=O)Nc3cc(-c4csnn4)ccc3C)cnc2s1 19714932 AIRFRTPULCNCBW-UHFFFAOYSA-N 411.512 3.486 0 40 HGAB O=C(Nc1cccc(F)c1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1 20007803 VXEZTQSIPRGYMW-HXUWFJFHSA-N 416.449 3.493 0 40 HGAB CCN1CCN([C@@H](c2ccc(Cl)cc2)c2nnnn2Cc2ccc(F)cc2)CC1 20141226 NQMKFYLZLMRUJF-FQEVSTJZSA-N 414.916 3.241 0 40 HGAB COC(=O)[C@@H](NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(Cl)cc1F)C(C)C 20716750 JTLHSIAIPABSJO-DOTOQJQBSA-N 408.861 3.057 0 40 HGAB CCCCCCn1c(O)c([C@@H]2c3[nH]c4ccccc4c3CCN2CC)c(=O)[nH]c1=O 20758666 ZJYYXCXWQYQQEL-HXUWFJFHSA-N 410.518 3.271 0 40 HGAB biogenic OCCNCCNCc1cc(Br)ccc1OCc1ccc(Cl)cc1 23263569 BHCYFHJGCLLDGX-UHFFFAOYSA-N 413.743 3.353 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC(=O)c2cc(F)ccc2OC)cc1 23698802 NDGMAJXQRSGSAQ-CQSZACIVSA-N 408.495 3.356 0 40 HGAB Cc1nn(C)c2ncc(C(=O)OCc3nc(N)c4c5c(sc4n3)CCCCC5)cc12 24199891 ARIYGVSYUMLPSH-UHFFFAOYSA-N 422.514 3.490 0 40 HGAB O=C(c1cccc(Cl)c1)N1CCN(C(=O)c2cncc(Br)c2)CC1 25863416 DYJTZGBWHXLTEN-UHFFFAOYSA-N 408.683 3.096 0 40 HGAB C[C@@]1(c2cc3ccccc3o2)NC(=O)N(CC(=O)NCCCCc2ccccc2)C1=O 28124807 JHRRWKMSUNAEIM-DEOSSOPVSA-N 419.481 3.339 0 40 HGAB COc1cc(Br)c(S(=O)(=O)N(C2CC2)[C@H](C)C2CC2)cc1OC 30337100 YXNBVUPXPATXNF-SNVBAGLBSA-N 404.326 3.418 0 40 HGAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CCC[C@@H]2c2ccc(C)cc2)cc1 32796194 FJZVLCSBAZFMAP-OXQOHEQNSA-N 402.516 3.034 0 40 HGAB CSc1ncc(Cl)c(C(=O)NCCCNc2ccc(C(F)(F)F)cn2)n1 32926667 QAKYLMKXTXBREL-UHFFFAOYSA-N 405.833 3.498 0 40 HGAB CCN(CC(=O)NCc1ccccc1Cl)S(=O)(=O)c1ccc(Cl)cc1 33729922 QQDUDZSGKXFLOP-UHFFFAOYSA-N 401.315 3.320 0 40 HGAB Clc1ccc(-n2c(Cc3ccccc3)nnc2Sc2ccc3nnnn3n2)cc1 40025168 GMNJHXUEVCNIMS-UHFFFAOYSA-N 420.889 3.495 0 40 HGAB COc1cc(CCC2CCN(CC(=O)Nc3cc(C)nn3C)CC2)cc(OC)c1 40039004 NBOISIOQXVACHZ-UHFFFAOYSA-N 400.523 3.029 0 40 HGAB O=C(c1cn(-c2ccccc2Br)nn1)N1CCC[C@@H](C(F)(F)F)C1 40073883 SXTPVYFHDFXXSE-SNVBAGLBSA-N 403.202 3.444 0 40 HGAB CCn1c(C)ccc(-c2noc(CCC(=O)N[C@H](C)c3ccc(OC)cc3)n2)c1=O 46020449 KQYPDBAMVYAVIN-OAHLLOKOSA-N 410.474 3.045 0 40 HGAB CC(C)CN1CCC(NC(=O)c2ccc(F)cc2I)CC1 47852348 CDAGKQWQOVUSIF-UHFFFAOYSA-N 404.267 3.281 0 40 HGAB COc1cc(Nc2c(C(=O)N3CCOCC3)cnc3nc(C)ccc23)cc(OC)c1 49004851 RYVRIEXBLBJMHT-UHFFFAOYSA-N 408.458 3.171 0 40 HGAB O=C(COc1ccc2cc(Br)ccc2c1)N1CCC2(CC1)OCCO2 52361196 HIMHNDLESVPJRI-UHFFFAOYSA-N 406.276 3.347 0 40 HGAB CC[C@@]1(c2ccc(NC(=O)/C=C/c3ccc4c(c3)OCO4)cc2)CCC(=O)NC1=O 56165343 BBKAHHOAAVWBGS-JYNBPUIZSA-N 406.438 3.152 0 40 HGAB CCOc1ccc(NC(=O)Cn2ncn3nc(-c4ccc(CC)cc4)cc3c2=O)cc1 67208698 SZEZAIAKHFYJBY-UHFFFAOYSA-N 417.469 3.158 0 40 HGAB Cc1cc(S(=O)(=O)NCc2nc(-c3ccccc3)n[nH]2)ccc1Br 69418174 KTIKAWGYPAGSSU-UHFFFAOYSA-N 407.293 3.021 0 40 HGAB CC(=O)c1ccc(S(=O)(=O)N2CC(c3nc(-c4cccc(Cl)c4)no3)C2)cc1 70637148 LIBVWCNTGDHFLV-UHFFFAOYSA-N 417.874 3.381 0 40 HGAB COc1ccc(CCn2cc(C(=O)NCC3CCOCC3)c3ccccc3c2=O)cc1 72324997 MCXPOVBHSDHVPA-UHFFFAOYSA-N 420.509 3.409 0 40 HGAB biogenic CCOCc1ccc(C(=O)N2CCc3nc([C@H]4CCCN(C)C4)nc(NC)c3C2)cc1 72372301 XMHWAMNROYLKAP-IBGZPJMESA-N 423.561 3.063 0 40 HGAB COc1ncc([C@]2(O)CC[C@H]3CN(Cc4ccc(C(F)(F)F)cc4)C[C@H]32)c(OC)n1 72392600 XWVJNUVIIRBVTD-JNAXZKDPSA-N 423.435 3.242 0 40 HGAB C[C@@H](OC(=O)CCn1c(=O)oc2ccccc21)[C@@H]1CCCN1C(=O)OC(C)(C)C 84636471 HNPJULNIDANCJT-CABCVRRESA-N 404.463 3.316 0 40 HGAB COc1ccc([C@@H]2[C@@H](C(=O)NCc3cccnc3)c3ccccc3C(=O)N2C)cc1 95478709 VUJCPKWMZXXBQQ-FCHUYYIVSA-N 401.466 3.317 0 40 HGAB Cc1sc2nc(CN3CCOCC3)nc(N3CCC[C@]3(C)CCCO)c2c1C 95982866 VKFMDIXCELVCPI-OAQYLSRUSA-N 404.580 3.272 0 40 HGAB CC(C)(C)OC(=O)N1CCC[C@@H](COCC(=O)Nc2cccc(-c3nnco3)c2)C1 95984280 AKCOACOJCLPPRB-OAHLLOKOSA-N 416.478 3.339 0 40 HGAB Cc1nn(CC(F)(F)F)c(C)c1[C@H]1COCCN1C(=O)c1ccc2c(c1)CCO2 96002567 SWAKIWNFMIGVGS-MRXNPFEDSA-N 409.408 3.211 0 40 HGAB CCOC(=O)CCN(Cc1cccnc1)Cc1csc(N(C(C)=O)C2CC2)n1 96007145 MXYFDJAJRFMIGB-UHFFFAOYSA-N 402.520 3.009 0 40 HGAB CCOC(=O)[C@H]1[C@H]2NC(=S)N(CCOC)[C@@]1(C)Oc1c(Cl)cc(Cl)cc12 100030070 WZIVUSXSCNKPSQ-IGCXYCKISA-N 419.330 3.159 0 40 HGAB COC(=O)c1ccc(COc2ccc(N3C(=O)[C@@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2)cc1 101460329 XFMPZXUNUMAGRX-ZCLUNYJNSA-N 403.434 3.364 0 40 HGAB C[C@@H]1C(=O)Nc2ccc(C(=O)CSc3nnc(NC[C@H]4CCCO4)s3)cc21 101793850 IIAQGISLDXQNCR-CMPLNLGQSA-N 404.517 3.160 0 40 HGAB COc1ccc(NC(=O)C(=O)NCc2ccc(C(=O)c3ccsc3)s2)cc1 206681306 RDCFOLZCQUBREX-UHFFFAOYSA-N 400.481 3.304 0 40 HGAB CCOC(=O)c1ccc(NC(=O)c2cc(N(C)S(C)(=O)=O)ccc2Cl)c(C)c1 222501818 PYQDHDKCMSJEOT-UHFFFAOYSA-N 424.906 3.473 0 40 HGAB CNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CSCc1ccc(OC)cc1 222588067 KIYFWGDYQPODMX-HNNXBMFYSA-N 404.507 3.231 0 40 HGAB CS(=O)(=O)N(CCCC(=O)NCCC1=CCCCC1)c1ccc2c(c1)OCCO2 222671182 WWIVGMBMUVQYIG-UHFFFAOYSA-N 422.547 3.011 0 40 HGAB CC[C@H](NS(=O)(=O)c1nnc(NC(=O)c2ccccc2)s1)c1ccccc1 222809273 VXQTXWPWGIGBHO-HNNXBMFYSA-N 402.501 3.220 0 40 HGAB Cc1ccc(CN(CC(=O)NCCCc2ccc(Cl)cc2)S(C)(=O)=O)cc1 222891093 TUVNROQVXPQFKY-UHFFFAOYSA-N 408.951 3.159 0 40 HGAB C[C@@H](C(=O)Nc1ccc(Cc2ccncc2)cc1)N(c1ccccc1)S(C)(=O)=O 223705650 NKFHSGOOOYRRDG-KRWDZBQOSA-N 409.511 3.466 0 40 HGAB COc1ccc(OC)c([C@@H](C)NC(=O)[C@@H](C)N(c2ccc(C)cc2)S(C)(=O)=O)c1 224631589 CDBCKNJWELZUOE-HZPDHXFCSA-N 420.531 3.044 0 40 HGAB CCc1ncnc(O[C@@H]2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)C2)c1F 244933313 CLUGFXOADKMARV-GFCCVEGCSA-N 419.400 3.039 0 40 HGAB CC[C@H](O)C[C@@H]1CC[C@H]([C@H](C)C(=O)O[C@H](CC)C[C@@H]2CC[C@H]([C@@H](C)C(=O)O)O2)O1 253388198 WGVQPPKZKAJDGR-HEGHMXGHSA-N 414.539 3.311 0 40 HGAB biogenic,in-vitro COc1cc(CC(=O)N2CC[C@@](O)(CC(C)C)[C@@H](Oc3ccccc3)C2)ccc1O 257205362 AYROZEHILPVDRZ-LADGPHEKSA-N 413.514 3.400 0 40 HGAB CCN1CCC(CC(=O)N2CCC[C@@H](c3cccc(Nc4cnccn4)n3)C2)CC1 257295730 QZPYIPKBBYKKBM-LJQANCHMSA-N 408.550 3.443 0 40 HGAB O=C(NCC(=O)N1CCC[C@@H]1c1ncc(Cc2cccc(F)c2)o1)c1ccccc1 257299820 RRRYVURBZUFTNG-HXUWFJFHSA-N 407.445 3.498 0 40 HGAB CC(C)(C)OC(=O)N1CCC([C@@H](C(=O)O)c2cccc(Nc3ccn[nH]3)n2)CC1 257332747 XYMLSPNFVGZDPP-QGZVFWFLSA-N 401.467 3.364 0 40 HGAB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NCC(C)C)cc1C 408535762 WHPCKBBXQHMVCY-UHFFFAOYSA-N 418.559 3.009 0 40 HGAB CC(=O)Nc1ccc(NS(=O)(=O)c2ccc(NC(=O)NCC(C)C)cc2)cc1 408584693 TWUXJNHRGDJNOX-UHFFFAOYSA-N 404.492 3.223 0 40 HGAB O=C(N[C@@H]1C(=O)N/[N+](=C\c2ccccc2)[C@H]1c1ccc(Cl)cc1)c1ccc(F)cc1 409053639 GPLCAAAEVGAVON-ZCEBDVNOSA-O 422.867 3.495 0 40 HGAB COc1ccccc1N1CCN(C(=O)/C=C/c2ccc(OC)c(OC)c2OC)CC1 409410265 LWSTXSWYWKOARH-ZRDIBKRKSA-N 412.486 3.083 0 40 HGAB NC(=O)c1cccc(Oc2ccc(NS(=O)(=O)c3ccc(C(=O)O)cc3)cc2)c1 521003441 HRUZJILRILBEIY-UHFFFAOYSA-N 412.423 3.077 0 40 HGAB O=C(Cc1ccc2c(c1)CCCO2)N1CC2(C[C@@H](OCc3cccnc3)CS2)C1 575403229 GWIVAXCDIRPMES-HXUWFJFHSA-N 410.539 3.252 0 40 HGAB O=C(CSc1nc(O)c2c[nH]nc2n1)N1Cc2ccccc2[C@@H](c2ccccc2)C1 576131966 XUAWXPDBGXYHJI-GOSISDBHSA-N 417.494 3.325 0 40 HGAB Cc1cc(OC[C@@]2(O)CCCN(CC(=O)NCc3ccccc3)C2)cc(C)c1Cl 585271536 ALPPHXRRKANGLU-HSZRJFAPSA-N 416.949 3.479 0 40 HGAB O=C1NCCc2ccc(NC(=O)N3CCOC[C@@H]3c3nc4ccccc4s3)cc21 669718909 PAYBIGZPQHIHQU-QGZVFWFLSA-N 408.483 3.188 0 40 HGAB O=C(Nc1ccc(Br)cc1)[C@H]1C[C@@H](O)CN1C(=O)Oc1ccccc1 862004 MGKGRYYZYHUJIB-GDBMZVCRSA-N 405.248 3.022 0 40 HGAB O=C(OCc1nc2ccccc2[nH]1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 2343179 KXXYQNKEHKDRIX-UHFFFAOYSA-N 413.499 3.485 0 40 HGAB Cc1ccc(NC(=O)CSc2nnc(CCNC(=O)OC(C)(C)C)o2)c(C)c1 2376374 NYZDPNJQLKAREG-UHFFFAOYSA-N 406.508 3.484 0 40 HGAB COc1ccc([C@H]2C[C@@H](c3ccccc3)Nc3nc(N4C(=O)CCC4=O)nn32)cc1 2425501 FBYLKHGXVAEKFX-ZWKOTPCHSA-N 403.442 3.086 0 40 HGAB Cc1cc(OC[C@@H](O)CNC[C@H](O)COc2ccc(Cl)c(C)c2)ccc1Cl 2685832 BTNURVOOMFXKRL-HOTGVXAUSA-N 414.329 3.379 0 40 HGAB NS(=O)(=O)c1ccc(CCNC(=S)Nc2ccc(Cl)cc2Cl)cc1 3231619 DKJDDZKSTZEFSY-UHFFFAOYSA-N 404.344 3.170 0 40 HGAB O=C(NCc1ccc(Cl)cc1Cl)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 3523400 OPGRNJUTMZROQQ-ZDUSSCGKSA-N 421.280 3.434 0 40 HGAB CCc1ccc(C2=N/C(=C/c3cc(Cl)c(OCC(N)=O)c(OC)c3)C(=O)O2)cc1 5000805 DRUXTQYVGYJYIB-CXUHLZMHSA-N 414.845 3.120 0 40 HGAB COc1ccc(CCNC(=O)CSc2ncnc3sc(C)cc23)cc1OC 5017237 KOHYNVAEMOVOON-UHFFFAOYSA-N 403.529 3.468 0 40 HGAB C[C@@H](OC(=O)c1ccc(COc2ccccc2)o1)C(=O)Nc1ccc(C(N)=O)cc1 5039928 MNDRFISVNUOIQH-CQSZACIVSA-N 408.410 3.142 0 40 HGAB CCOc1cc(C(=O)CCC(=O)O)ccc1OS(=O)(=O)c1ccc(F)c(F)c1 7988244 KPTWPWKJBLCSKZ-UHFFFAOYSA-N 414.382 3.179 0 40 HGAB COc1ccc(Br)cc1S(=O)(=O)NCCOc1ccc(C)cc1C 8059990 ZLKJQQCGAKTDJJ-UHFFFAOYSA-N 414.321 3.432 0 40 HGAB CCCNC(=O)CSc1nnc(S[C@@H](C)C(=O)N2CCCC[C@@H]2CC)s1 8130063 IEIUDLFLQZLRFO-STQMWFEESA-N 416.638 3.428 0 40 HGAB O=C1Cc2cc(-c3csc(NC(=O)c4cnn(-c5ccccc5)n4)n3)ccc2N1 8265781 UFNZEJFBZZBQET-UHFFFAOYSA-N 402.439 3.138 0 40 HGAB Cc1ccc(CNC(=O)/C=C/c2ccc(CNS(=O)(=O)c3ccccc3)o2)cc1 8372432 QICJILSAPUFXNU-BUHFOSPRSA-N 410.495 3.396 0 40 HGAB Cc1cccc2cc(CN(C[C@H]3CCCO3)C(=S)NCc3ccco3)c(=O)[nH]c12 8829026 GAHCYUXWGDECNL-LJQANCHMSA-N 411.527 3.485 0 40 HGAB COC(=O)C1=C(CSc2nc3ccccc3[nH]2)NC(=O)N[C@H]1c1ccc(OC)cc1 8994159 YSNOCLFYBFPYNG-SFHVURJKSA-N 424.482 3.145 0 40 HGAB COc1ccc(-c2nc3scc(CCNC(=O)Cc4ccccc4)n3n2)cc1OC 9568939 XZOUJBHYMMWSMM-UHFFFAOYSA-N 422.510 3.376 0 40 HGAB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)N(CCO)Cc3ccccc3)c2)cc1 9588813 HDEPIOSVJPUUBB-UHFFFAOYSA-N 424.522 3.431 0 40 HGAB Cc1ccc(CNC(=O)Cc2csc(NS(=O)(=O)c3ccc(C)cc3)n2)cc1 9828568 UMARVZOQAZUKBC-UHFFFAOYSA-N 415.540 3.420 0 40 HGAB CCN(CC)Cc1ccc(CNC(=O)NCC(=O)Nc2ccc(F)c(F)c2F)cc1 9875453 MODLTKKRJFJZLF-UHFFFAOYSA-N 422.451 3.384 0 40 HGAB COc1ccc(-c2nc3n(n2)[C@H](C(=O)Nc2ccc(C)cc2Cl)CC(=O)N3)cc1 10153492 JUCHCWSZFGIEQJ-INIZCTEOSA-N 411.849 3.438 0 40 HGAB C[C@@H](OC(=O)c1ccc(Cl)c(S(C)(=O)=O)c1)C(=O)N1c2ccccc2C[C@H]1C 10241540 KGENJAKNQDHRCF-CHWSQXEVSA-N 421.902 3.267 0 40 HGAB CCOC(=O)c1cccc(NC(=O)CN(c2cc(Cl)ccc2C)S(C)(=O)=O)c1 10441072 HBZXBZAJKHHENW-UHFFFAOYSA-N 424.906 3.230 0 40 HGAB NC(=O)CCCCCn1c(SCC(=O)c2ccccc2)nc2ccccc2c1=O 10606242 OPVCHQXIXUVGEO-UHFFFAOYSA-N 409.511 3.417 0 40 HGAB O=C(Nc1ccc(CNS(=O)(=O)c2cccc(Br)c2)cc1)C1CC1 10670414 MWUGAKWEUFHDQP-UHFFFAOYSA-N 409.305 3.276 0 40 HGAB CC(=O)N[C@@H](CC(=O)N1CCC[C@H](c2nn(C)c3ncccc23)C1)c1ccc(F)cc1 12219464 AHLPLRHIJSESJZ-PXNSSMCTSA-N 423.492 3.081 0 40 HGAB CCOC(=O)N1CCN(C(=O)CCS[C@@H]2CCc3ccccc3N=C2O)CC1 12322593 RWDFGUUWQNCZEU-QGZVFWFLSA-N 405.520 3.013 0 40 HGAB O=C(N[C@]1(C(F)(F)F)NC(=O)N(Cc2ccccc2Cl)C1=O)c1cccs1 12408991 VHHHGYPISUVWLU-HNNXBMFYSA-N 417.796 3.142 0 40 HGAB C[C@H](CNC(=O)CNC(=O)Cc1ccccc1)c1nc2ccccc2n1C(F)F 12581824 AYVIXZVHEGEVGE-CQSZACIVSA-N 400.429 3.010 0 40 HGAB COc1ccc(CC[C@]2(C)NC(=O)N(CC(=O)c3ccc4c(c3)CCC4)C2=O)cc1 12749555 GJDUUYSXYTVTPL-DEOSSOPVSA-N 406.482 3.310 0 40 HGAB Cc1cc(C)c(NC(=O)CN(C)C(=O)CCNC(=O)c2ccc(F)cc2F)c(C)c1 12795856 NXEMUKNDUGHLGY-UHFFFAOYSA-N 417.456 3.107 0 40 HGAB O=C(CNC(=O)C12CC3CC(CC(C3)C1)C2)NCCCCOc1ccc(F)cc1 12914293 DJYJZIISWKEDLW-UHFFFAOYSA-N 402.510 3.434 0 40 HGAB CSc1ccc(-c2csc(NC(=O)CCCN3C(=O)CN(C)C3=O)n2)cc1 12991397 ZEDYODIYLUABBH-UHFFFAOYSA-N 404.517 3.145 0 40 HGAB CC[C@H](C(=O)NCc1ccc(OC)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O 13712188 NANZPHWGXZNXFR-GOSISDBHSA-N 410.923 3.210 0 40 HGAB COc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)COc1cccc(C)c1 14291362 WATCKAHKSICUSI-UHFFFAOYSA-N 409.471 3.496 0 40 HGAB COc1ccc(CN2C[C@H](O)C[C@H]2c2nc(-c3ccccc3)no2)c(OC)c1OC 15674111 CPXJOHGYUNFQSV-SJORKVTESA-N 411.458 3.070 0 40 HGAB biogenic,in-vitro COc1ccc(S(=O)(=O)NCCC(=O)N[C@@H](C)c2cccc3ccccc23)cc1 15741656 ITUDQRSYLJEUNM-INIZCTEOSA-N 412.511 3.394 0 40 HGAB CC(=O)Nc1cc2ccccc2nc1C1CCN(C(=O)c2cn3cccnc3n2)CC1 19022259 QYFOESCICDLJJD-UHFFFAOYSA-N 414.469 3.256 0 40 HGAB CC(C)c1cc(C(=O)N2CCC[C@H](c3nc(-c4cccs4)cc(=O)[nH]3)C2)n(C)n1 19452254 YQSMRRFCJYVCAM-AWEZNQCLSA-N 411.531 3.375 0 40 HGAB O=C(CN1CCN(Cc2cc(Cl)cc3c2OCOC3)CC1)Nc1ccc(F)cc1 19539303 RCXQLNYJMNXUAM-UHFFFAOYSA-N 419.884 3.102 0 40 HGAB CC(=O)c1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccccc3)C2)c1 19857459 JENMLZIUPGQXDL-IBGZPJMESA-N 400.500 3.070 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N[C@@H]2CCCc3ccccc32)cc1 20021209 KUTGIAVPADTCHE-OAQYLSRUSA-N 416.543 3.290 0 40 HGAB CC(C)N1CCc2nc(SCC(=O)Nc3ccc(F)c(Cl)c3)nc(O)c2C1 20467807 AZBNJJFHZHCSLQ-UHFFFAOYSA-N 410.902 3.472 0 40 HGAB COc1ccc(OC)c(NC(=O)c2ccc(CS(=O)(=O)N3CCCCC3)cc2)c1 20485255 HFRYPBVLEKLMDH-UHFFFAOYSA-N 418.515 3.272 0 40 HGAB O=C(O)[C@@H](c1c[nH]c2ccc(Br)cc12)N1CCN(c2ccccn2)CC1 20714722 LFWCZRMWFOJKQU-GOSISDBHSA-N 415.291 3.273 0 40 HGAB COCCN1C(=O)c2ccccc2[C@@H](C(=O)NCc2ccncc2)C12CCCCC2 20722001 ZAZQGZLOBQFVIK-NRFANRHFSA-N 407.514 3.287 0 40 HGAB CC[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(OC)cc2)C1)c1ccccc1 22515042 QXNRDVJFUSBDIC-GHTZIAJQSA-N 416.543 3.363 0 40 HGAB Cc1ccc(NC(=O)CN2CCN(CCC(=O)Nc3cccc(Cl)c3)CC2)cc1 22930260 LIUXWXDZILWTFU-UHFFFAOYSA-N 414.937 3.233 0 40 HGAB CNS(=O)(=O)c1cc(C(=O)Nc2ccc3c(c2)-c2ccccc2C3)ccc1OC 22972733 QBMVDRZQDNTNHR-UHFFFAOYSA-N 408.479 3.427 0 40 HGAB CC(=O)NCCCc1ccc(C(=O)COC(=O)c2cnn(-c3ccccc3)c2C)cc1 22988848 UOUFXRCSOFIGCZ-UHFFFAOYSA-N 419.481 3.289 0 40 HGAB CCOc1cc(C(=O)NCc2ccccc2CN2CCOCC2)ccc1OC(F)F 24379512 DYZHAPOIJUFDRP-UHFFFAOYSA-N 420.456 3.449 0 40 HGAB O=C([C@@H]1CC(=O)N(c2cccc(Cl)c2)C1)N1CCC[C@@H](c2nnc3ccccn23)C1 24457764 STWDHILRIKMIMZ-HZPDHXFCSA-N 423.904 3.142 0 40 HGAB O=C(NCc1ccccc1OC(F)(F)F)[C@@H]1CC(=O)N(CCc2ccccc2)C1 24866454 HFYXDUARBCWVCL-QGZVFWFLSA-N 406.404 3.293 0 40 HGAB CCCn1c(CCC(=O)N[C@H](C)CCCC(C)C)nc2cc(S(N)(=O)=O)ccc21 25345110 KEQRJEUVEBCILC-MRXNPFEDSA-N 422.595 3.357 0 40 HGAB COc1ccc(OC)c(CN(C(=O)COc2ccc(N3CCCC3=O)cc2)C2CC2)c1 25808173 URZQNWOASZZNGJ-UHFFFAOYSA-N 424.497 3.401 0 40 HGAB COc1cccc(-n2ccnc2SCC(=O)c2ccc(S(C)(=O)=O)cc2)c1 26045042 MNNWJEYIGZWNIR-UHFFFAOYSA-N 402.497 3.259 0 40 HGAB CS(=O)(=O)Nc1ccc(C(=O)CSc2nccn2-c2cccc(F)c2)cc1 26107163 WMRYSQIAVNRUKC-UHFFFAOYSA-N 405.476 3.358 0 40 HGAB Cc1nn(C)c(C)c1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@@H](C)C2)c1 27156491 DZZUZEDKMCAILG-GFCCVEGCSA-N 424.954 3.363 0 40 HGAB Cc1c(N2C[C@](O)(c3ccccc3)[N+]3=C2CCCCC3)c(=O)n(-c2ccccc2)n1C 27525037 NMMZSHYZHJBPGE-VWLOTQADSA-N 417.533 3.135 0 40 HGAB O=C(NC[C@H](c1cccs1)N1CCOCC1)c1ccc(Br)s1 29841698 XINDQEXYRWVGOL-LLVKDONJSA-N 401.351 3.375 0 40 HGAB Cc1cc(NC(=O)[C@@H](OC(=O)c2ccc(-n3cncn3)cc2)c2ccccc2)no1 30022945 OVBRLPUJEKMILW-IBGZPJMESA-N 403.398 3.101 0 40 HGAB C[C@H](CCc1ccccc1)NC(=O)CN1C(=O)COc2cc(Br)ccc21 31732130 FEJNNBGSGPQKJZ-CQSZACIVSA-N 417.303 3.312 0 40 HGAB CCN(CC)[C@@H](CNC(=O)C1CCN(C(=O)c2cccnc2)CC1)c1ccsc1 31983980 PMHBKFASCZJSFL-FQEVSTJZSA-N 414.575 3.195 0 40 HGAB COc1cc(S(=O)(=O)Oc2ccc(NC(C)=O)cc2)ccc1Br 32602122 APQLOUYZNNWVIA-UHFFFAOYSA-N 400.250 3.184 0 40 HGAB O=C(Nc1ncccc1O)c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1 32721948 XIOKURGMZIIYBV-UHFFFAOYSA-N 409.467 3.181 0 40 HGAB COc1cc(OC)c(NC(=O)CSc2ncnc3nc(C)ncc23)cc1Cl 33300887 SOCXIRNOOUDKIX-UHFFFAOYSA-N 405.867 3.130 0 40 HGAB C[C@@H](NC(=O)c1cc(-c2cccs2)n([C@@H]2CCS(=O)(=O)C2)n1)c1ccccc1 33325347 UXUCWBSJPKBFHE-GDBMZVCRSA-N 415.540 3.462 0 40 HGAB Cc1cc(=O)[nH]c(-c2cccc(NC(=O)CCNC(=O)c3ccc(Cl)cc3)c2)n1 36395424 NFWKNCDAHNSZEL-UHFFFAOYSA-N 410.861 3.157 0 40 HGAB CC[C@@H](C)[C@@H](CO)NC(=O)COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1 36569686 LVUCAFLVXMAPCB-RHSMWYFYSA-N 411.454 3.068 0 40 HGAB biogenic CCc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4[C@@H](C)CCC[C@H]4C)[nH]c(=O)c32)cc1 38828370 ICZUEABKUWZZRA-JKIFEVAISA-N 423.517 3.164 0 40 HGAB C[C@H]1CCCN(Cc2ccccc2CNC(=O)c2ccc(=O)n(-c3ccccc3)n2)C1 40112295 VIMYRFUQYPLMNJ-IBGZPJMESA-N 416.525 3.394 0 40 HGAB NS(=O)(=O)c1ccc(CCNC(=O)c2ccccc2Nc2ccccc2)s1 40154631 BMLMFOJTCOXNLV-UHFFFAOYSA-N 401.513 3.112 0 40 HGAB O=C(Nc1ccccn1)[C@H]1CCCN(S(=O)(=O)c2c(Cl)cccc2Cl)C1 47268932 GNXKMMIYJXBDEB-LBPRGKRZSA-N 414.314 3.428 0 40 HGAB O=C(NC[C@H]1CN(Cc2ccccc2)CCO1)Nc1ccc(N2CCCCC2)nc1 48231355 MJTDKIRJLFOCNE-NRFANRHFSA-N 409.534 3.094 0 40 HGAB CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCN(C[C@H](O)c2cccs2)CC1 49031321 KVOAUGZROUUXGZ-KRWDZBQOSA-N 408.951 3.437 0 40 HGAB Cc1nccn1-c1cc(CNC(=O)c2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)ccn1 53397894 AMKSWGYLQAAAKA-ROUUACIJSA-N 419.529 3.115 0 40 HGAB COC(=O)C1=C(CN2CCc3ccccc3C2)NC(=O)N[C@H]1c1ccccc1Cl 57414913 GWQNDMWNYAKVRY-FQEVSTJZSA-N 411.889 3.179 0 40 HGAB CNC(=O)c1nn(CN(C)Cc2cccc(Cl)c2Cl)c(=O)c2ccccc12 57580634 QYNJZJHGRROLNK-UHFFFAOYSA-N 405.285 3.152 0 40 HGAB CCOC(=O)C1(c2ccccc2)CCN(CC(=O)c2ccc(NC(C)=O)cc2)CC1 61966126 INSCQEAVGRBJKG-UHFFFAOYSA-N 408.498 3.425 0 40 HGAB CSc1ccccc1NC(=O)[C@@H]1CCN(S(C)(=O)=O)c2cc(C)ccc2O1 64988677 WMPGEHQAQLCIFC-KRWDZBQOSA-N 406.529 3.273 0 40 HGAB C[C@@H]1CN(C(=O)CN2C(=O)COc3ccc(Cl)cc32)C[C@@H](c2ccccc2)O1 65514524 MYLUISHLWSRZMW-KUHUBIRLSA-N 400.862 3.054 0 40 HGAB CC[C@H](C)NC(=O)[C@@H]1CSCN1C(=O)/C=C/c1ccc(OC(F)F)c(OC)c1 65591128 DGFLHVQEXWGZHG-TUPWZPNASA-N 414.474 3.126 0 40 HGAB O=C(c1ccc2c(c1)OCO2)N1CCC(c2nc(-c3ccc4c(c3)OCO4)no2)CC1 67205966 QXZLUFCKZBVRNZ-UHFFFAOYSA-N 421.409 3.214 0 40 HGAB Cc1c(-c2ccc(F)cc2)nn2c(N)c(C(=O)Nc3cccc(C(=O)O)c3)cnc12 71279184 MOMZIMFVIIZIPN-UHFFFAOYSA-N 405.389 3.377 0 40 HGAB Cc1cc(C)c(NC(=O)c2nnn(CC(=O)NCc3ccc(F)cc3)c2C)c(C)c1 71327410 JSCXDGWQLKBXNB-UHFFFAOYSA-N 409.465 3.220 0 40 HGAB Cc1ccc(Cc2cnc(NC(=O)NC[C@@H](C)CN3CCN(C)CC3)s2)cc1 72274559 DQVNGNMPENKOCZ-QGZVFWFLSA-N 401.580 3.047 0 40 HGAB CC(C)CNC(=O)N1CCC[C@H](C(=O)Nc2nc3ccccc3nc2N2CCCC2)C1 72294615 OVMIILSXBRFNNO-KRWDZBQOSA-N 424.549 3.246 0 40 HGAB CN(C[C@H](O)COc1ccc(C(F)(F)F)cc1)C(=O)[C@H]1CCOc2ccccc21 72310400 SUAMSCJAPPSFHR-YJBOKZPZSA-N 409.404 3.470 0 40 HGAB COC(=O)Nc1ccccc1OCC(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)cc1 72311134 WFAJZUXVTCHVNZ-HZPDHXFCSA-N 413.474 3.496 0 40 HGAB O=C(OCC(=O)N1CCN(Cc2ccccc2)CC1)c1ccc(C(F)(F)F)cc1 72330063 LVHZVVUCMQPRLV-UHFFFAOYSA-N 406.404 3.207 0 40 HGAB CN1C(=O)C[C@H](C(=O)Nc2nnc(CCc3ccccc3)s2)[C@H]1c1ccccc1 72400608 AKAYBRCWMJZOKZ-FXAWDEMLSA-N 406.511 3.481 0 40 HGAB COC(=O)[C@H](C)[C@H](NCC(=O)NCCc1nc2ccccc2s1)c1ccccc1 79025852 NKRXCDKUDXPWOC-VFNWGFHPSA-N 411.527 3.095 0 40 HGAB COc1cc(C(=O)N2CCCC[C@@H]2CC(N)=O)cc(OC)c1OCc1ccccc1 95393915 OTMPHHSPBLXIOA-GOSISDBHSA-N 412.486 3.153 0 40 HGAB CS(=O)(=O)Cc1ccc(Cl)cc1S(=O)(=O)N[C@H](c1ccccc1)C1CC1 95984029 YMSSQOVVDPFLJA-GOSISDBHSA-N 413.948 3.314 0 40 HGAB O=C(C[C@@H]1CC2(CCN(C(=O)c3ccncc3)CC2)Oc2ccccc21)NC1CC1 96053440 XRRPYMAUKZGJKM-GOSISDBHSA-N 405.498 3.291 0 40 HGAB CC(C)n1nc(CN2CCCC2)c2c1CN(S(=O)(=O)c1ccc(F)c(F)c1)CC2 96084246 SYQOWLJNPYWLDO-UHFFFAOYSA-N 424.517 3.085 0 40 HGAB CSCC[C@@H]1NC(=O)c2cc(NC(=O)c3ccc4ccn(C)c4c3)ccc2NC1=O 96222923 NLNBXHMCUFBREK-SFHVURJKSA-N 422.510 3.234 0 40 HGAB biogenic COC(=O)[C@]1(CC(=O)N(C(C)C)C(C)C)C(=O)C[C@H]2CC[C@H]1N2Cc1ccccc1 100186583 AUYQRVIJWUYVEW-REHUZNOOSA-N 414.546 3.187 0 40 HGAB C[C@@H]1[C@H]2CC[C@]3(O)[C@@H](C[C@H]4[C@H]3C[C@@H](O)[C@H]3C[C@@H](O)CC[C@@]34C)[C@@H]2CN2CCCC[C@@H]12 103565471 LENMDDFRAPDCRB-PIONYDCHSA-N 417.634 3.432 0 40 HGAB CSc1ccc(S(=O)(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)cc1NC(C)=O 222742028 GPPMZUPBXRIQJD-LBPRGKRZSA-N 422.528 3.178 0 40 HGAB COC(=O)c1ccc(NCc2ccco2)c(S(=O)(=O)Nc2ccc(OC)cc2)c1 223418707 MCVOALRYFXXGAH-UHFFFAOYSA-N 416.455 3.488 0 40 HGAB Cc1cccc(N(C)S(=O)(=O)c2cccc(C(=O)NCCCN3CCCC3)c2)c1 224139218 GZQJXJUCRIZAGB-UHFFFAOYSA-N 415.559 3.036 0 40 HGAB CCc1ccc(N(CC(=O)Nc2nnc(-c3ccccc3)s2)S(C)(=O)=O)cc1 224396218 BLMJIPOYKFETKI-UHFFFAOYSA-N 416.528 3.172 0 40 HGAB COc1ccc(S(=O)(=O)Nc2c(C)cc(C)cc2C)cc1N1C(=O)CCC1=O 225360009 JNLNGKXNVPCZGM-UHFFFAOYSA-N 402.472 3.075 0 40 HGAB COc1ccc(CN(C(=O)COc2ccccc2F)[C@@H](C)C(=O)NC(C)C)cc1 225680614 IXTBMIMSCUWUDX-INIZCTEOSA-N 402.466 3.155 0 40 HGAB COCCCNC(=O)c1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(Cl)cc1 225864102 XJFUWQFHLCLZGB-UHFFFAOYSA-N 422.934 3.248 0 40 HGAB COc1cccc(OC)c1CCC(=O)NCCSc1nc(-c2ccccc2)n[nH]1 225993138 OXTXBNJECXUJFF-UHFFFAOYSA-N 412.515 3.330 0 40 HGAB Cc1cc(Cl)cc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2[C@H]2CCCN21 247915209 MLICOSSRVQCELY-YDSTWLSQSA-N 421.884 3.080 0 40 HGAB CCC[C@H](C)NC(=O)C1CCN(S(=O)(=O)c2cc(Cl)ccc2OCC)CC1 408558704 SPDCZJPWOLYCKR-AWEZNQCLSA-N 416.971 3.444 0 40 HGAB Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CCCC3)c(Cl)c2)cc1 408595001 RPHHEXKSPOSOFL-UHFFFAOYSA-N 408.907 3.450 0 40 HGAB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N1CCCCC1)c1ccc(F)cc1 408595231 UKCVTPUBGTVPFK-UHFFFAOYSA-N 420.506 3.351 0 40 HGAB O=C(NCc1cccc(Cl)c1)C(=O)Nc1ccccc1C(=O)NCc1ccco1 408707428 ARIURXPDYZFWFO-UHFFFAOYSA-N 411.845 3.118 0 40 HGAB COc1ccc(OC)c(/C=C2\SC(=O)N(CC(=O)N3CCCC[C@H]3C)C2=O)c1 409199865 FJRWOKXNRIVORS-GPLLRDDGSA-N 404.488 3.141 0 40 HGAB Cc1cccc(Nc2cc(C[C@H]3CCCN(C(=O)/C=C/c4cnn(C)c4)C3)ncn2)n1 585291039 IEUMZSNHZOYHQQ-GFOMBABLSA-N 417.517 3.152 0 40 HGAB CN(C)CC(=O)N1CCC[C@@]2(CCCCCOc3ccc(Cl)cc3C(=O)NC2)C1 643559253 SLCADQOGCDIVLB-JOCHJYFZSA-N 421.969 3.193 0 40 HGAB COc1ccc(Br)c([C@@H]2C[C@@]2(CO)C(=O)O[C@@](C)(N)c2ccccc2)c1 675082107 BHUSMKLSEGYJSW-DBVUQKKJSA-N 420.303 3.299 0 40 HGAB CCCN(CCC)S(=O)(=O)c1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1 867260 LEFXPFWMGBYWKX-UHFFFAOYSA-N 418.515 3.156 0 40 HGAB C[C@@H](C(=O)OCC(=O)Nc1cc(Cl)cc(Cl)c1)N1C(=O)c2ccccc2C1=O 941658 AETBNOSNUSMACN-JTQLQIEISA-N 421.236 3.160 0 40 HGAB Cc1c(OC(=O)CNC(=O)OCc2ccccc2)ccc2c3c(c(=O)oc12)CCC3 2264451 DZHCTLOXPXAFRM-UHFFFAOYSA-N 407.422 3.422 0 40 HGAB CCCCCCn1c(=O)c2c(nc3n2CCN3c2ccc(Cl)cc2)n(C)c1=O 3015676 OSDLKGQUFSGQLB-UHFFFAOYSA-N 401.898 3.282 0 40 HGAB CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)Nc2ccc(Br)cc2)c1C 3221336 WNBAAIVUCRUHHJ-UHFFFAOYSA-N 423.263 3.366 0 40 HGAB CC(=O)N1Cc2ccccc2C[C@H]1C(=O)O[C@H](C)C(=O)Nc1cccc(Cl)c1 3340530 JSDBYYRACRTOOC-YJYMSZOUSA-N 400.862 3.184 0 40 HGAB Cc1nn(-c2ccccc2)c2sc(C(=O)NCCOC(=O)c3ccncc3)cc12 3515787 JOZIMSOBZVMMFS-UHFFFAOYSA-N 406.467 3.377 0 40 HGAB CCCc1cc(=O)[nH]c2nnc(SCC(=O)Nc3ccccc3C(F)(F)F)n12 4250324 KCVBFVZAGGCZSS-UHFFFAOYSA-N 411.409 3.120 0 40 HGAB CCc1ccc(C(=O)N2CCN(c3cnn(-c4ccccc4)c(=O)c3Cl)CC2)cc1 4745435 LXJITAKRZDVBCD-UHFFFAOYSA-N 422.916 3.411 0 40 HGAB COc1ccc(OC)c(S(=O)(=O)Nc2cccc(-c3cn4cccnc4n3)c2)c1 4942729 GFPSDPSGNCUCSJ-UHFFFAOYSA-N 410.455 3.214 0 40 HGAB CCc1ccc(CN(C(=O)COc2cccc(C)c2C)[C@H]2CCS(=O)(=O)C2)cc1 5100038 MKJOWRQRGPFNOR-NRFANRHFSA-N 415.555 3.461 0 40 HGAB CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)CSc1nc2ccccc2o1 5212258 ZNGXZDBRJNCRTL-UHFFFAOYSA-N 416.455 3.468 0 40 HGAB O=C1NC2(CCCC2)C(=O)N1CC(=O)N(Cc1ccc(F)cc1)C1CCCCC1 5228770 ACXDEMPLUTWPKW-UHFFFAOYSA-N 401.482 3.352 0 40 HGAB COc1ccc(-n2ccnc2S[C@H](C)C(=O)NCc2ccc3c(c2)OCO3)cc1 5262953 KIJMHJRUDZOYHI-CQSZACIVSA-N 411.483 3.407 0 40 HGAB Cc1ccc(O[C@@H](C)C(=O)N(Cc2ccccc2)[C@@H]2CCS(=O)(=O)C2)cc1C 5533180 JQMSYXRKDYAGQQ-AZUAARDMSA-N 401.528 3.287 0 40 HGAB CC(=O)c1cccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3cccc(C)c3C)C2)c1 5933854 CKSUHZJERWEPRU-SFHVURJKSA-N 408.454 3.041 0 40 HGAB COc1cccc(Cn2c(=O)n(Cc3ccccc3Cl)c(=O)c3cccnc32)c1 6805126 JZSBDQVOCFYCPY-UHFFFAOYSA-N 407.857 3.317 0 40 HGAB Cc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1C 7769317 BIYWVPVPNWNMHO-UHFFFAOYSA-N 402.516 3.496 0 40 HGAB Nc1cc(N)nc(SCC(=O)N2N=C(c3cccs3)C[C@@H]2c2cccs2)n1 8746943 DLBXMRWCZFVLJM-LLVKDONJSA-N 416.557 3.234 0 40 HGAB CSc1nc(NCC(C)C)c2cnn(CCNC(=O)c3cccc(F)c3)c2n1 8942462 TYEMYXADNGSSBC-UHFFFAOYSA-N 402.499 3.185 0 40 HGAB Cc1cccc2c(=O)n(CC(=O)N[C@H](c3ccc4c(c3)OCCCO4)C(C)C)cnc12 8980987 QCTWFVBYWPBXEK-QFIPXVFZSA-N 421.497 3.380 0 40 HGAB COc1ccc(C)cc1S(=O)(=O)N1CCC(C(=O)Nc2ccccc2F)CC1 9225857 UDQIMLGIFRYQEE-UHFFFAOYSA-N 406.479 3.182 0 40 HGAB Cc1nc2[nH]c(SCC(=O)Nc3ccc4c(c3)OCO4)nc2cc1Br 9308563 OMCWOKYTBIWTCU-UHFFFAOYSA-N 421.276 3.488 0 40 HGAB C[C@H](OC(=O)c1ccc(Cl)s1)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F 9485398 SOBLDBYQBFQMGH-ZETCQYMHSA-N 420.796 3.119 0 40 HGAB CCc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(C(=O)OC)Nc3nnnn32)cc1 10231946 LSKRSXAERWUAPF-SFHVURJKSA-N 423.860 3.214 0 40 HGAB CCCN1CCCc2cc(CCNC(=O)C(=O)Nc3ccc(NC(C)=O)cc3)ccc21 11613046 HZRWGVLXRPHBCL-UHFFFAOYSA-N 422.529 3.105 0 40 HGAB O=S(=O)(c1ccc(F)c(Cl)c1)N1CCN(c2ccc(-c3ccco3)nn2)CC1 11694002 PAAUDUIXCZZKFB-UHFFFAOYSA-N 422.869 3.040 0 40 HGAB CC[C@@H](C)C(=O)N1CCC[C@@H](c2nc(N3CCOCC3)ncc2-c2cccnc2)C1 12120619 FHOLDZSULCJUDA-IEBWSBKVSA-N 409.534 3.127 0 40 HGAB CC[C@H](C)C(=O)N1CCC[C@H](c2nc(N3CCOCC3)ncc2-c2cccnc2)C1 12120625 FHOLDZSULCJUDA-HKUYNNGSSA-N 409.534 3.127 0 40 HGAB CC(=O)Nc1cccc(NC(=O)CCNC(=O)N2CCc3c([nH]c4ccccc34)C2)c1 12296939 XISRNGRHICQDTM-UHFFFAOYSA-N 419.485 3.223 0 40 HGAB biogenic CC(=O)Nc1ccc(NS(=O)(=O)c2c(F)cc(F)cc2Br)cc1 12630510 DUXHITYUSVIPDQ-UHFFFAOYSA-N 405.220 3.487 0 40 HGAB C[C@H](Oc1cccc(N2CCCC2=O)c1)C(=O)Nc1ccc(N2CCOCC2)cc1 12632661 YOOMUBBLERHRMU-KRWDZBQOSA-N 409.486 3.056 0 40 HGAB CCCc1ccc([C@]2(C)NC(=O)N(CC(=O)N[C@@H](C)c3ccccc3OC)C2=O)cc1 12758966 RCHMUZLNWJUEEM-FYSMJZIKSA-N 423.513 3.292 0 40 HGAB CN1CCc2nc(NC(=O)c3cnc4c(cnn4Cc4ccccc4)c3)sc2C1 12787044 BLNUKOWJVMKCEI-UHFFFAOYSA-N 404.499 3.176 0 40 HGAB COC(=O)CN1C(=O)C(C)(C)Oc2ccc(C(=O)Nc3ccc(F)c(Cl)c3)cc21 12875653 WCVRPURTUVCBRR-UHFFFAOYSA-N 420.824 3.408 0 40 HGAB O=C(Nc1ccc(Br)cc1F)c1ccc(S(=O)(=O)NC2CC2)cc1 12906599 FHUXXDIALPFIJQ-UHFFFAOYSA-N 413.268 3.281 0 40 HGAB COc1ccc(CNC(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)cc2)cc1 13148927 NSQQKBIJQIITMY-CALCHBBNSA-N 416.543 3.292 0 40 HGAB COc1ccc(-c2noc(CNC(=O)c3nc(Cl)ccc3Cl)n2)cc1OC 13624057 MPUPUJJGYRAQTF-UHFFFAOYSA-N 409.229 3.386 0 40 HGAB COC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(CCc3c[nH]c4ccc(F)cc34)C2)cc1 13944875 HZFAXXMMVCVOEQ-MRXNPFEDSA-N 423.444 3.123 0 40 HGAB CC1(C)[C@@H]2CC[C@@]1(C)C(=O)N(CC(=O)N1CCC(Oc3ccc(F)cc3)CC1)C2=O 19460797 WQDUHFPSXQEOIQ-JPYJTQIMSA-N 416.493 3.007 0 40 HGAB CCC(=O)N1CCO[C@](Cc2cccc(-c3cccc(F)c3)c2)(C(=O)NC2CC2)C1 19498967 JIGSHIUGHQBUDY-DEOSSOPVSA-N 410.489 3.321 0 40 HGAB CN1C[C@@H](C(=O)Nc2ccc(F)cc2)C[C@@H]1C1CCN(C(=O)c2cccnc2)CC1 19587611 CAJYOPVPQBDRQG-GHTZIAJQSA-N 410.493 3.032 0 40 HGAB Cc1nn(C)cc1-c1csc(NC(=O)[C@@H](c2ccc(F)cc2)N2CCOCC2)n1 19717171 GPFJTOFHYPNHDU-GOSISDBHSA-N 415.494 3.003 0 40 HGAB O=C(NC(=S)N1CCN(Cc2ccccc2)CC1)c1ccc(Br)cc1 20064319 DZMWNIGPJKQAQH-UHFFFAOYSA-N 418.360 3.282 0 40 HGAB COc1ccc(N(CC(=O)Nc2cc(Cl)ccc2C)S(C)(=O)=O)c(OC)c1 20237086 COFVUCBQDMAFPG-UHFFFAOYSA-N 412.895 3.070 0 40 HGAB COc1ccc(SCC(=O)NCc2ccc(OC)c(OC)c2OC)cc1OC 20480997 UHLYFQXLKNYUSX-UHFFFAOYSA-N 407.488 3.138 0 40 HGAB CC(C)c1ccc(S(=O)(=O)NC[C@H](c2ccsc2)N2CCN(C)CC2)cc1 20953441 WVSHHDUMQMBONV-HXUWFJFHSA-N 407.605 3.139 0 40 HGAB CCOc1cc(CNCCc2ccc(S(N)(=O)=O)cc2)cc(Cl)c1OCC 22074652 ZEEDWMAUEYPYAG-UHFFFAOYSA-N 412.939 3.117 0 40 HGAB CCOc1ccc(NC(=O)C[C@H]2C(=O)N(CCCOC)c3nc4ccccc4n32)cc1 23411168 DCTRDOPTRJWFBE-FQEVSTJZSA-N 422.485 3.388 0 40 HGAB O=S(=O)(N[C@@H](CN1CCOCC1)c1ccccc1)c1ccc(Cl)c(Cl)c1 24193285 DTLHIYGOCZNWJN-SFHVURJKSA-N 415.342 3.345 0 40 HGAB Cc1c(C(=O)N2CCC[C@H](c3nnc4ccccn34)C2)cnn1-c1ccc(F)cc1 24457648 VWQHTTHOEZAXCB-INIZCTEOSA-N 404.449 3.382 0 40 HGAB CC(=O)N1C[C@@H](C(=O)OCc2nc(-c3ccc(Cl)cc3)no2)Oc2ccccc21 25076542 ATDNSTXJMKKFPP-KRWDZBQOSA-N 413.817 3.247 0 40 HGAB O=C(COc1ccc(F)c(Cl)c1)N1CCN(C(=O)c2ccc(Cl)cc2)CC1 31049718 QZCCINXCSZCYIT-UHFFFAOYSA-N 411.260 3.496 0 40 HGAB CC(C)CN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccccc1-c1ccccc1 32755601 VYXUQEILEZHESU-GOSISDBHSA-N 407.557 3.187 0 40 HGAB CC[C@@H](C)[C@H](CO)NC(=O)[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(C)C 36579986 DQVCUIMSLAVQPE-RZFNWQHOSA-N 410.558 3.483 0 40 HGAB COc1cc(NC(=O)CC[C@H]2N=C(O)N([C@H](C)c3ccccc3)C2=O)cc(OC)c1 36596825 FQESKGVYLMGXBS-AUUYWEPGSA-N 411.458 3.309 0 40 HGAB Cc1ccc(-c2noc(Cn3nc(-c4ccc5c(c4)OCO5)ccc3=O)n2)cc1C 38652043 MQUMTCIJABSVTH-UHFFFAOYSA-N 402.410 3.354 0 40 HGAB CCOC(=O)[C@@H]1CCCN(C(=O)Nc2cc3c(cc2Br)OCCO3)C1 40103737 VMBCHMDGEBNERU-LLVKDONJSA-N 413.268 3.027 0 40 HGAB COC(=O)c1cc(NC(=O)N2CCc3[nH]cnc3[C@@H]2c2ccccn2)ccc1Cl 40266230 FRMOZJCQHXDZGG-SFHVURJKSA-N 411.849 3.424 0 40 HGAB CCc1ccc(CNC(=O)C(=O)Nc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)s1 41883979 GNMJXBDSJNFWMB-OKILXGFUSA-N 419.522 3.318 0 40 HGAB COc1ccc(OC)c(-n2cc(C(=O)O)c3c2[C@H](c2cccc(O)c2)CC(=O)N3)c1 49543262 CAAZEFSCASHMMS-HNNXBMFYSA-N 408.410 3.372 0 40 HGAB biogenic Cc1cccc(N(C)C(=O)Cn2c(=O)n(-c3ccccc3)c(=O)c3sccc32)c1 57428891 IXQOGGWMGSLIPN-UHFFFAOYSA-N 405.479 3.185 0 40 HGAB O=C1N[C@@H](CCc2ccccc2)C(=O)N1C[C@@H](O)COc1cccc2ccccc12 58007654 NSRVXZHCCWQKOX-CTNGQTDRSA-N 404.466 3.133 0 40 HGAB Cn1cnc(-c2ccccc2)c1NC(=O)C1=NN(Cc2ccc(F)cc2)C(=O)CC1 58139602 XFAHFWFGWIOTLR-UHFFFAOYSA-N 405.433 3.343 0 40 HGAB CCOC(=O)N1CCC(NC(=O)c2sc(NCCc3ccccc3)nc2C)CC1 71326513 NEZYUXWGHFNRHK-UHFFFAOYSA-N 416.547 3.457 0 40 HGAB CCOc1ccccc1NC(=O)Cn1nnc(C(=O)Nc2ccccc2OCC)c1C 71327299 XMCNSCSQHVPVEV-UHFFFAOYSA-N 423.473 3.275 0 40 HGAB COc1ccccc1N1CCN(C(=O)c2cc(OC)c3cc(F)cc(F)c3n2)CC1 72328806 YDHUQRRPWJPLSB-UHFFFAOYSA-N 413.424 3.493 0 40 HGAB O=C(c1ccc2c(c1)OCO2)N1CCCC[C@@H]1CCn1nc2c(cc1=O)CCCCC2 72342414 HRCNHEAKUDCFEI-LJQANCHMSA-N 423.513 3.326 0 40 HGAB O=S(=O)(Cc1cccc(F)c1)N1CCC[C@@H]1c1cncc(Nc2ccccn2)n1 72376388 RLMCILMPOPPCLA-GOSISDBHSA-N 413.478 3.421 0 40 HGAB C[C@@]1(C(=O)Nc2c[nH]cc(Br)c2=O)CCCN(C(=O)c2ccccc2)C1 89919328 AXNNLMWABRBNCM-LJQANCHMSA-N 418.291 3.018 0 40 HGAB Cc1nn(-c2nc3ccccc3[nH]2)c(O)c1[C@H]1CC(=O)N(c2cccc(Cl)c2)C1=O 100069097 IJKMHKFEESUUPS-CQSZACIVSA-N 421.844 3.463 0 40 HGAB C[C@@H]1CC(=O)N(c2cccc(C(=O)N3CCC(Oc4ccccc4F)CC3)c2)C1=O 100730310 WSTKZRSATSGIOH-OAHLLOKOSA-N 410.445 3.409 0 40 HGAB COC(=O)c1ccccc1NC(=O)[C@H]1CC[C@H](Cn2nnc3ccccc3c2=O)CC1 101032467 XCXWWZXWPIPYHD-IYBDPMFKSA-N 420.469 3.023 0 40 HGAB C[C@@H]1CN(c2ccc(C(=O)N[C@H](C)c3ccc4c(c3)CCC(=O)N4)cn2)C[C@@H](C)O1 107491299 FIGLAKYEJXNVDY-BZUAXINKSA-N 408.502 3.071 0 40 HGAB O=C(COC(=O)c1cccc(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)c1)Nc1ccccc1 165643211 IGTXRQHYQXMPTA-PBFVBANWSA-N 418.449 3.018 0 40 HGAB COC(=O)[C@@H]1C[C@H](Oc2ccccc2F)CN1C(=O)c1nc2ccccc2s1 206795906 DBWMUPCLPANOOU-WFASDCNBSA-N 400.431 3.271 0 40 HGAB COC(=O)c1cn(C(=O)CN(c2c(C)cccc2C)S(C)(=O)=O)c2ccccc12 222583423 KLVFPVOYDBZCRX-UHFFFAOYSA-N 414.483 3.151 0 40 HGAB CCOc1cccc(N(CC(=O)NCc2ccc3ccccc3c2)S(C)(=O)=O)c1 222790764 BWSGALAPCVDAAW-UHFFFAOYSA-N 412.511 3.321 0 40 HGAB Cc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2CCCN(C)C)nc1 223215342 OLTHXGWYXSOHGT-VXKWHMMOSA-N 420.586 3.500 0 40 HGAB CN(C)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(Br)cs1 223254081 VCMLZQUYVZIYFS-HUUCEWRRSA-N 411.394 3.440 0 40 HGAB Cc1cc(C)cc(OCCNC(=O)[C@H](C)N(c2ccc(C)c(C)c2)S(C)(=O)=O)c1 224071417 FDCZHRAPOFRZKM-IBGZPJMESA-N 418.559 3.270 0 40 HGAB Cc1ccc(OCCNC(=O)CCCN(C)S(=O)(=O)c2ccccc2)cc1Cl 224171445 RPJVQGQFXFOMAU-UHFFFAOYSA-N 424.950 3.244 0 40 HGAB CCOC(=O)CN(c1cc(OC)c(Cl)cc1OC)S(=O)(=O)c1ccccc1 224680346 KYHAGNFSHVJOJX-UHFFFAOYSA-N 413.879 3.116 0 40 HGAB COc1cc(CN(C)C(=O)c2cn3c4c(cccc4c2=O)CCC3)cc(OC)c1OC 225859661 OIXJCVHAXDOKKA-UHFFFAOYSA-N 422.481 3.246 0 40 HGAB CCOc1ccc(C(=O)NCC(=O)OCC(=O)O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)cc1 245266513 JOLMTLQZNNAWJM-LSTHTHJFSA-N 419.518 3.362 0 40 HGAB CC(=O)N1CCCC[C@@H]2CN(Cc3cc(C(C)(C)C)ccc3OCC(N)=O)CC[C@H]21 257300177 RTFIFMMQVRXMQT-WIYYLYMNSA-N 415.578 3.071 0 40 HGAB CC(=O)O[C@H]1C[C@@H]2[C@@H]([C@H](OC(C)=O)C[C@H]3CCCC[C@@]32C)[C@]2(O)C(=O)CC[C@@]12C 257349434 OCASYMYIISJFFR-RZLXNCGWSA-N 406.519 3.186 0 40 HGAB CC[C@H](C(=O)N[C@H](C)c1ccccc1OC)N(c1cccc(C)c1)S(C)(=O)=O 260805447 DDGAJTXFPGETPS-VQIMIIECSA-N 404.532 3.426 0 40 HGAB C[C@H](CCc1ccccc1)NC(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O 408623668 YNQMDZQHSDXRKJ-CQSZACIVSA-N 412.914 3.383 0 40 HGAB CCOC(=O)CSC1=NC(C)=C(C(=O)OCC)[C@H](c2ccccc2OCC)N1 408992261 SOIJTIZEURYFHC-SFHVURJKSA-N 406.504 3.219 0 40 HGAB CCOC(=O)COc1ccc(/C=C2\SC(=O)N(CC(=O)O[C@@H](C)CC)C2=O)cc1 409203131 UQHVUTTYZFNVET-ATTDUZETSA-N 421.471 3.007 0 40 HGAB CN1C(=O)CCC[C@@H]2N(CC3(O)CCN(c4ccc(F)cc4)CC3)CCC[C@@]21C 585262841 KYPVOKDHHCINPH-UNMCSNQZSA-N 403.542 3.022 0 40 HGAB COCCOc1cc(CN2CCC(O)(COc3ccc(F)cc3)CC2)ccc1OC 585270004 ASCZGQHMEKVLIA-UHFFFAOYSA-N 419.493 3.265 0 40 HGAB Cc1nc(N2CCC[C@@H](COc3ncccc3C(F)(F)F)C2)c2cnn(C)c2n1 1775971639 SAUGIPFPFOCCMX-CYBMUJFWSA-N 406.412 3.381 0 40 HGAB Cc1ccc(-n2nnnc2SCC(=O)Nc2nc3c(s2)CCCC3)cc1C 790474 RFIMYAPDBKWRAF-UHFFFAOYSA-N 400.533 3.345 0 40 HGAB COc1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 796878 KVBMEPPUYKCQFV-CQSZACIVSA-N 408.907 3.388 0 40 HGAB COC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccc(OCc2ccccc2)c(OC)c1 949758 CBHYITAAFBMCCQ-FQEVSTJZSA-N 406.442 3.328 0 40 HGAB CCOC(=O)c1nn(-c2ccc(Cl)cc2)c2nc(Nc3ccccc3)cc(=O)n12 1019409 NHJUNUNJODGVLH-UHFFFAOYSA-N 409.833 3.454 0 40 HGAB COc1ccc(NC(C)=O)cc1CNC(=O)CSc1nnc(-c2ccccc2)o1 1426278 KGIYNZKHEZTMHG-UHFFFAOYSA-N 412.471 3.112 0 40 HGAB COc1ccc(C(=O)N[C@@H]2CCCc3ccccc32)cc1S(=O)(=O)N1CCCC1 3435275 YUXMFPLOBSCQRZ-LJQANCHMSA-N 414.527 3.287 0 40 HGAB O=C1CN(C(=O)CSc2nnc(Nc3ccccc3F)s2)c2ccccc2N1 3536556 PCYAUWNTIQGGNX-UHFFFAOYSA-N 415.475 3.498 0 40 HGAB COc1ccc(Cl)cc1NC(=O)CN(C)CC(=O)Nc1ccc2c(c1)CCC2 3541402 KDSGIEXYHFUSLO-UHFFFAOYSA-N 401.894 3.346 0 40 HGAB CC[C@H](c1nnc(SCC(=O)Nc2cc(C)on2)n1Cc1ccccc1)N(C)C 3552208 OOIDWWROTQVACY-MRXNPFEDSA-N 414.535 3.366 0 40 HGAB COc1ccc2[nH]c3c(c2c1)CCN1C(=O)N(c2ccc(C(=O)O)cc2)C(=O)[C@]31C 4073490 FCLKCJJMGRWDDZ-QFIPXVFZSA-N 405.410 3.115 0 40 HGAB biogenic Cc1cnc(NC(=O)CSc2nc3sc4c(c3c(=O)n2C)CCCC4)s1 4129920 LLTGYKWYRWHHKJ-UHFFFAOYSA-N 406.558 3.370 0 40 HGAB CCC[C@@]1(C(=O)OCC)N[C@@H](c2ccccc2F)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 4885599 BMJHXWPMQWXXQF-AZXNSQLWSA-N 424.472 3.378 0 40 HGAB COc1cccc2c1OC1(CCN(C)CC1)N1N=C(c3ccc4c(c3)OCO4)C[C@@H]21 4949944 VMCWRKDALFKBBK-SFHVURJKSA-N 407.470 3.389 0 40 HGAB O=C1C[C@H](NCCc2c[nH]c3ccccc23)C(=O)N1c1ccc(Br)cc1 5425099 DYUKMAHIKYBHGF-SFHVURJKSA-N 412.287 3.395 0 40 HGAB O=C(COC(=O)c1ccc2c(c1)OCO2)Nc1ccccc1C(=O)c1ccccc1 5474489 OCDMRZVCVSMRSE-UHFFFAOYSA-N 403.390 3.442 0 40 HGAB COCCn1c(C)cc(C(=O)COC(=O)/C=C/c2ccc(OC)cc2OC)c1C 5937863 IJFXNSRYOZMDOW-VQHVLOKHSA-N 401.459 3.208 0 40 HGAB Cc1ccc(CN(C(=O)[C@@H](C)Oc2ccccc2Cl)[C@@H]2CCS(=O)(=O)C2)o1 6810350 ZGTCBMQTCZURDR-HUUCEWRRSA-N 411.907 3.225 0 40 HGAB CCc1ccccc1Nc1nc(N)nc(CN2CCN(c3ccccc3OC)CC2)n1 6832196 JYEWPBDPBYGSDA-UHFFFAOYSA-N 419.533 3.091 0 40 HGAB O=C1CCCN1Cc1cccc(C(=O)N2CCC(C(=O)N3CCCCCC3)CC2)c1 6987567 VEMRFVLMPTWFQV-UHFFFAOYSA-N 411.546 3.064 0 40 HGAB CN(C)S(=O)(=O)c1ccc2oc(SCCOC(=O)c3ccccc3)nc2c1 7254456 ASTMSLSYLFXILE-UHFFFAOYSA-N 406.485 3.027 0 40 HGAB Cc1nc(-c2ccccc2)sc1C(=O)OCC(=O)Nc1sccc1C(N)=O 7618868 WMBBTASLIMUQTL-UHFFFAOYSA-N 401.469 3.074 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CNc1ccccc1F 7972191 AMGRGQBASJJSPW-UHFFFAOYSA-N 405.495 3.359 0 40 HGAB O=C(Nc1nnc(CCCOc2ccccc2)s1)[C@H]1CC(=O)N(C2CCCC2)C1 8234725 DURJBMYJYGYERR-HNNXBMFYSA-N 414.531 3.279 0 40 HGAB Cc1cccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4CCCC[C@H]4C3=O)c2)c1 8410726 XKURAZZZJTUTJJ-WOJBJXKFSA-N 420.465 3.470 0 40 HGAB CC(=O)Nc1ccc(NC(=O)CCC(=O)OCC(=O)Nc2ccccc2Cl)cc1 8415121 HXYLGIZMMBVVCM-UHFFFAOYSA-N 417.849 3.199 0 40 HGAB CCOc1ccc(N2C[C@@H](CNS(=O)(=O)c3cccc(Cl)c3)CC2=O)cc1 9036142 JWDWLKCBLMKALI-CQSZACIVSA-N 408.907 3.070 0 40 HGAB COc1cc(-c2nnc(NC(=O)c3cc4ccccc4oc3=O)o2)cc(OC)c1OC 9274696 ODZBNYQRJMJCMI-UHFFFAOYSA-N 423.381 3.121 0 40 HGAB O=C(CS(=O)(=O)c1ccccc1)Nc1nnc(CCCc2ccccc2)s1 9698672 DZSNBQIDGMXCGT-UHFFFAOYSA-N 401.513 3.126 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)N1c2ccccc2C[C@H]1C 10449960 JFFWWBHHDCPJFM-MRXNPFEDSA-N 414.527 3.461 0 40 HGAB COc1ccc(-c2nnc3ccc(OCCNC(=O)c4cccc(Cl)c4)nn23)cc1 11693885 FIZVXMWULQAEQT-UHFFFAOYSA-N 423.860 3.262 0 40 HGAB O=C(CCC(=O)c1cccs1)NCCC(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1 12628288 ZHICIXAHFZQIRI-KRWDZBQOSA-N 424.526 3.457 0 40 HGAB O=C(Cn1nc2ccccn2c1=O)Nc1nc(-c2ccc3c(c2)CCCC3)cs1 12777327 JTASQLYIALLCAO-UHFFFAOYSA-N 405.483 3.137 0 40 HGAB C[C@]1(NC(=O)c2cc(-c3ccco3)n(-c3ccc(Cl)cc3)n2)CCS(=O)(=O)C1 12813478 NRYOXUWQFYKYHZ-IBGZPJMESA-N 419.890 3.093 0 40 HGAB O=C(C1CCN(S(=O)(=O)c2ccccc2)CC1)N(Cc1ccc(F)cc1)C1CC1 12993963 VATZOEKDMTYNQC-UHFFFAOYSA-N 416.518 3.418 0 40 HGAB O=c1/c(=C/c2cccc(I)c2)sc2nc3ccccc3n12 13233931 FXQPNRPTLYRHNR-ZROIWOOFSA-N 404.232 3.062 0 40 HGAB CCS(=O)(=O)N1CCCc2cc(C(=O)Nc3cc(OC)ccc3OC)ccc21 13610431 PHSCUOOZPWRKJS-UHFFFAOYSA-N 404.488 3.058 0 40 HGAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)CCCN1C(=O)c2ccccc2C1=O 13686841 HTNMPARHZCILNR-HNNXBMFYSA-N 407.470 3.230 0 40 HGAB CCOC(=O)c1ccc(NC(=O)Cn2cnc(-c3ccc(OCC)cc3)cc2=O)cc1 13809195 KOAJGFRMVIRQCK-UHFFFAOYSA-N 421.453 3.124 0 40 HGAB Cc1ccc2nc3c(c(C(=O)NCCc4ccc(S(N)(=O)=O)cc4)c2c1)CCCC3 14264633 WMDLHCKSOZNXII-UHFFFAOYSA-N 423.538 3.042 0 40 HGAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(F)cc2F)cc1Cl 16692692 CWXYLSHLBPOQPM-UHFFFAOYSA-N 418.849 3.276 0 40 HGAB O=S(=O)(NCc1ccccc1CN1CCCCC1)c1cccc2nsnc12 19079011 HGKGYBXPSKDUNQ-UHFFFAOYSA-N 402.545 3.156 0 40 HGAB O=C1CC[C@]2(CCCN(C(=O)C[C@H]3NC(=O)c4ccccc43)[C@@H]2c2ccc(F)cc2)N1 19375044 ZKZRZBZBUSJVAQ-CKUXNOBLSA-N 421.472 3.013 0 40 HGAB O=C1c2ccccc2C(=O)N1CCC1=Nn2c(CCc3ccccc3)nnc2SC1 19772707 DGAPKNCYCQKGAJ-UHFFFAOYSA-N 417.494 3.059 0 40 HGAB COc1ccccc1NC(=O)CSc1nc(=O)c2c(C)cc(C)nc2n1C1CC1 20353658 KZUZHLWRWLEOAU-UHFFFAOYSA-N 410.499 3.483 0 40 HGAB O=c1[nH]c(=O)n(-c2ccc(Cl)cc2)c2c1CN(Cc1ccccc1Cl)CN2 20495085 SDDFZEHHMIHZOP-UHFFFAOYSA-N 403.269 3.218 0 40 HGAB CCn1c(C)cc(O)c([C@H](c2cccnc2)N2CCN(c3ccc(F)cc3)CC2)c1=O 22697473 YJAVGQLCWXPTAB-QHCPKHFHSA-N 422.504 3.328 0 40 HGAB Cc1ccc(-n2ncc3c(C)nnc(SCC(=O)NC[C@H]4CCCO4)c32)cc1C 23137759 HWMAGVVLWMPDGS-QGZVFWFLSA-N 411.531 3.128 0 40 HGAB COc1ccc(CN2CCN(C(=O)c3ccc(OC(F)F)c(OC)c3)CC2)cc1F 23737290 UOEFHEBOECDVOH-UHFFFAOYSA-N 424.419 3.402 0 40 HGAB O=C(COc1ccccc1C(=O)N1CCOCC1)Nc1ccc(OC(F)(F)F)cc1 24438111 VVRQQCJAAXERGX-UHFFFAOYSA-N 424.375 3.075 0 40 HGAB Cc1oc(-c2ccccc2)nc1CC(=O)Nc1ccc(S(=O)(=O)NC2CC2)cc1 29411264 PXKJJRMMGLQYJW-UHFFFAOYSA-N 411.483 3.272 0 40 HGAB COc1cc(NC(=O)c2ccc(Br)cc2F)ccc1NS(C)(=O)=O 29969603 HLZBRSMKVXLOJN-UHFFFAOYSA-N 417.256 3.221 0 40 HGAB Cc1ccc(C(=O)CCC(=O)CCC(=O)Nc2cccc(-c3nnnn3C)c2)s1 30586977 RGSZKIPMMOWCOA-UHFFFAOYSA-N 411.487 3.198 0 40 HGAB Cc1noc2nc(-c3cccs3)cc(C(=O)NC[C@H](C(C)C)N3CCOCC3)c12 32298531 LICGOGBMUZNDNV-QGZVFWFLSA-N 414.531 3.346 0 40 HGAB CC(=O)c1ccc(NC(=O)[C@@H](C)N2CCCN(C(=O)c3ccc(F)cc3)CC2)cc1 32776809 SYFDEIOSHKOKBN-MRXNPFEDSA-N 411.477 3.203 0 40 HGAB C[C@@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1)c1ccccc1 34949557 JZVMZHOYRJCOEU-GCJKJVERSA-N 408.523 3.454 0 40 HGAB O=C(CCCc1c[nH]c2ccccc12)N1CCN(CC(=O)N2CCCCCC2)CC1 35349085 MTBUOXAMGLPHHN-UHFFFAOYSA-N 410.562 3.037 0 40 HGAB O=C(CN1CCN(C(=O)C[C@H]2C=CCC2)CC1)Nc1ccc(OC(F)(F)F)cc1 36007088 JUESMMZIPWEKSX-HNNXBMFYSA-N 411.424 3.024 0 40 HGAB CCc1cc2oc(=O)cc(COC(=O)c3cnc4n(c3=O)CCS4)c2cc1Cl 39996361 RVDGADKDKXXAJB-UHFFFAOYSA-N 418.858 3.028 0 40 HGAB O=C(c1cccc(OC[C@H]2CCCO2)c1)N1CCC[C@H](c2nnc3ccccn23)C1 40049208 RSUYQYIUIAZDPN-AZUAARDMSA-N 406.486 3.307 0 40 HGAB CN(Cc1ccc(F)cc1)C(=O)CN1CCN(C(=O)c2cc(Cl)ccc2F)CC1 40120045 YNWJALKDMYHQNA-UHFFFAOYSA-N 421.875 3.035 0 40 HGAB CC(C)OC(=O)C[C@@H](NC(=O)[C@H](C)S(=O)(=O)c1ccc(F)cc1)c1ccccc1 40146600 HEYINDRAQDPDCL-HNAYVOBHSA-N 421.490 3.187 0 40 HGAB Cc1cc(NC(=O)C2=NN(Cc3ccc(F)cc3)C(=O)CC2)n(Cc2ccccc2)n1 44471161 PGYVVBWKKAFQOA-UHFFFAOYSA-N 419.460 3.496 0 40 HGAB CC[C@@H]1CCCCN1CCCNS(=O)(=O)c1ccc(N2CCCC2=O)c(C)c1 44880059 RLTUPLOBBKCDDE-GOSISDBHSA-N 407.580 3.055 0 40 HGAB Cc1nc(C2(NS(=O)(=O)c3ccccc3OC(F)(F)F)CCCCC2)no1 46800242 GGBRNQASFBPUKQ-UHFFFAOYSA-N 405.398 3.415 0 40 HGAB CC(=O)Nc1cccc(CNC(=O)Nc2cc(C(N)=O)ccc2N2CCCCC2)c1 48342669 ANHZCANMFJRXQG-UHFFFAOYSA-N 409.490 3.056 0 40 HGAB COc1ccc(OC)c(CNC(=O)c2nnn(-c3ccc(C)c(Cl)c3)c2C)c1 51317791 KUVFFRWZCCYQSC-UHFFFAOYSA-N 400.866 3.485 0 40 HGAB O=C(NC[C@H](c1ccco1)N1CCCC1)N1CCN(C/C=C/c2ccccc2)CC1 57292059 MPVASMQVBKCTPU-MOVYNIQHSA-N 408.546 3.457 0 40 HGAB O=C(NCCS(=O)(=O)c1ccccc1)Nc1cccc(-c2nc(C3CC3)no2)c1 58016231 GKPMJWXGHWURJE-UHFFFAOYSA-N 412.471 3.209 0 40 HGAB O=C(CN(C[C@@H]1CCOC1)C1CC1)NC[C@H](c1ccccc1Cl)N1CCCC1 58147597 CXIZJYGEFJRNDW-LAUBAEHRSA-N 405.970 3.094 0 40 HGAB COC(=O)C1=C(c2ccc(Cl)cc2)Nc2ncnn2[C@@H]1c1ccc(C(=O)OC)cc1 59227893 QZNUYJPJOJGLLI-GOSISDBHSA-N 424.844 3.317 0 40 HGAB CSc1cccc(NC(=O)CN2N=C(C(=O)Nc3ccc(F)cc3)CCC2=O)c1 67336784 RUPXYYUHSQEKKV-UHFFFAOYSA-N 414.462 3.103 0 40 HGAB O=C(NCc1ccc(OC(F)(F)F)cc1)C1CN(C(=O)c2c[nH]c3ccccc23)C1 70812727 FGELTTYRQDFCPN-UHFFFAOYSA-N 417.387 3.455 0 40 HGAB COc1ccc(OC)c(NC(=O)Cn2nnc(C(=O)Nc3ccc(C)cc3C)c2C)c1 71327418 QQTFXYUBCXGBJA-UHFFFAOYSA-N 423.473 3.112 0 40 HGAB CCC(=O)N1CCC[C@@H](c2nc(C)c3c(n2)N(Cc2ccc(OC)cc2)C(=O)CC3)C1 72371141 YQXRLCNGYFKNOQ-GOSISDBHSA-N 422.529 3.389 0 40 HGAB COc1cc(NC(=O)N[C@@H](c2c(C)nn(C)c2C)C(F)(F)F)cc(OC)c1OC 95446438 VTEXBEBKVAAERX-INIZCTEOSA-N 416.400 3.488 0 40 HGAB COC(=O)C1CCC(NC(=O)CCc2ccc(OCC(F)(F)F)c(OC)c2)CC1 95951115 LVJCCISHHHZKDN-UHFFFAOYSA-N 417.424 3.417 0 40 HGAB CC(C)c1ccc(NC(=O)N2CCC[C@@H](c3n[nH]cc3NS(C)(=O)=O)C2)cc1 95998969 APNBOFMPWAPTON-OAHLLOKOSA-N 405.524 3.316 0 40 HGAB COCc1n[nH]c(-c2ccc(NC(=O)c3cc4cc(OC)c(OC)cc4[nH]3)cc2)n1 96118599 YHTPFPKDFWHHTH-UHFFFAOYSA-N 407.430 3.369 0 40 HGAB CC(C)CN1CCS(=O)(=O)[C@@H]2CCN(C(=O)Nc3ccccc3Cl)CC[C@@H]21 96251561 VJAOQDSBZVOZGX-ZWKOTPCHSA-N 413.971 3.091 0 40 HGAB O=S(=O)(N1CCCC1)N1[C@H](COc2cccc(C(F)(F)F)c2)[C@@H]2CC[C@@H]1C2 100112674 PMERYZRFVXHACU-FRFSOERESA-N 404.454 3.278 0 40 HGAB CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)COc2nc3ccccc3nc2N2CCOCC2)C1 102793284 QAZZNDNGUBGLTN-BXKMTCNYSA-N 424.545 3.272 0 40 HGAB COCCNC(=O)/C(=C\c1cccc(OCc2ccccc2)c1)n1ccccc1=O 199401107 AWEYPVXFBHDTBM-OQKWZONESA-N 404.466 3.188 0 40 HGAB CC(C)C(=O)N(Cc1ccc(Cl)cc1)[C@H](Cc1ccccc1)C(=O)NCCCO 223131096 UVZUBXQXARPHJE-OAQYLSRUSA-N 416.949 3.435 0 40 HGAB Cc1cc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCC(=O)N(C)C 223245696 NBKRPFWITXXWLL-UHFFFAOYSA-N 416.421 3.282 0 40 HGAB Cc1ccc(S(=O)(=O)N(C)Cc2ncc(C(=O)Nc3cc(C)ccc3C)cn2)cc1 223381726 OEFVIRPCBIADTR-UHFFFAOYSA-N 424.526 3.475 0 40 HGAB Cc1ccccc1OCCNC(=O)[C@H](C)N(c1cc(Cl)ccc1C)S(C)(=O)=O 224044753 IZLDRTFXCQQKTF-INIZCTEOSA-N 424.950 3.307 0 40 HGAB CCN(CC)Cc1nc(C2(O)CCN(C(=O)CCc3ccccc3)CC2)cs1 225464336 BVLFDQPQZZTDTN-UHFFFAOYSA-N 401.576 3.428 0 40 HGAB biogenic,in-vitro Cn1nc(-c2cccs2)cc1C(=O)NC1CCN(c2cc3c(nn2)CCCC3)CC1 225793353 GQNOQSABTRLHHS-UHFFFAOYSA-N 422.558 3.216 0 40 HGAB Cc1cc(S(=O)(=O)NC[C@@H](O)c2ccc3c(c2)OCCO3)c(Cl)cc1Cl 240068005 SHCGYFFNWCOESO-CQSZACIVSA-N 418.298 3.085 0 40 HGAB Cc1cc(CN2[C@H]3CC[C@H]2c2cnc(N4CCC[C@@H](CO)C4)nc2C3)cc(C)c1O 247921671 OFUPXHVYBHZZNV-LZNRXBQRSA-N 408.546 3.270 0 40 HGAB CNC(=O)c1cnn2c([C@@H]3CCCCN3C(=O)c3cnc4ccccc4c3)ccnc12 257303293 SGQGIVZZFJNCII-IBGZPJMESA-N 414.469 3.005 0 40 HGAB COCCOCC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3N(C)[C@H]2Cc1ccccc1 257340947 ZIFWHRSSGDHMOQ-QMDPOKHVSA-N 400.563 3.125 0 40 HGAB CC(C)(C)C(=O)N1[C@H]2c3c(ccc4c3OCO4)[C@H]1[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12 261828358 KOVBLSKSOKLBAW-XWSJACJDSA-N 418.449 3.205 0 40 HGAB CN(C)c1ccc(-n2cccc2/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)cc1 408550079 DJXSBUNMBYBBHS-XMHGGMMESA-N 424.526 3.202 0 40 HGAB CCc1ccc(N(CC(=O)NCCSc2ccc(C)cc2)S(C)(=O)=O)cc1 409028056 JBQFMMBISRHTTG-UHFFFAOYSA-N 406.573 3.232 0 40 HGAB Cn1c(CNC(=O)c2ccccc2)nnc1SCC(=O)Nc1ccc(Cl)cc1 409160934 YEZQTNPSEABTRE-UHFFFAOYSA-N 415.906 3.129 0 40 HGAB COC(=O)C1(c2ccc(S(=O)(=O)Nc3cc(C)nn3-c3ccccc3)cc2)CC1 538448097 MXFMBIPFCZVOLN-UHFFFAOYSA-N 411.483 3.186 0 40 HGAB CCN(CC)[C@@H]1CCN(c2cc(C3CC3)nc(N3CC[C@@H](N(CC)CC)C3)n2)C1 553398515 FLNQPJMGHOFIHL-WOJBJXKFSA-N 400.615 3.195 0 40 HGAB O=S1(=O)C[C@@H](N(Cc2ccccc2)C(c2ccccc2)c2ccccc2)[C@@H](O)C1 575423367 ZYFOLGCUEUKEHV-PKTZIBPZSA-N 407.535 3.436 0 40 HGAB CC(C)(C)CCNC(=O)[C@@H]1CN(Cc2ncc(C(F)(F)F)[nH]2)CC12CCOCC2 585101836 GBLYOJTXRFNKND-AWEZNQCLSA-N 416.488 3.210 0 40 HGAB Cc1c(Cl)cccc1N(CC(=O)NC[C@@H]1CCCO1)S(=O)(=O)c1ccccc1 656417 BICUKOJAVOBHGI-INIZCTEOSA-N 422.934 3.139 0 40 HGAB O=C(NCCOc1ccccc1)c1ccc(C(=O)NCCOc2ccccc2)s1 2171005 NNFICICZPUGMDY-UHFFFAOYSA-N 410.495 3.366 0 40 HGAB COC(=O)c1[nH]c2cc(OC)ccc2c1NC(=O)[C@@H](C)N1CCc2ccccc2C1 2259953 FJARGXHWAJTUOG-CQSZACIVSA-N 407.470 3.348 0 40 HGAB Cc1ccc(C)c(NC(=O)CSc2nnc(CCNC(=O)OC(C)(C)C)o2)c1 2385155 VFCKFONCDNMMDG-UHFFFAOYSA-N 406.508 3.484 0 40 HGAB O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cccc(I)c2)N1 3173949 PUGCTTMHYQKTNT-JKSUJKDBSA-N 418.234 3.461 0 40 HGAB O=C(COC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1)c1ccccc1 3526063 LZOZGRCIVOHJCU-UHFFFAOYSA-N 421.474 3.478 0 40 HGAB CCc1ccc(NC(=O)CN2C(=O)S/C(=C3\C(=O)Nc4ccccc43)C2=O)cc1 3639915 CVPAAQNOVHLODY-ZCXUNETKSA-N 407.451 3.246 0 40 HGAB Cc1ccc(Nc2ccc(N3CCN(S(=O)(=O)c4ccccc4)CC3)nn2)cc1 4304097 BLIBISGPXSKYCF-UHFFFAOYSA-N 409.515 3.040 0 40 HGAB CC(C)CCNC(=O)CN(C(=O)CCC(=O)Nc1nccs1)c1ccccc1F 4848404 MTRIZIFGMJHYDH-UHFFFAOYSA-N 420.510 3.196 0 40 HGAB Cc1csc(NC(=O)CCC(=O)N(CCC(C)C)CC(=O)NC2CCCC2)n1 4875565 SOXXMQMPODHWMV-UHFFFAOYSA-N 408.568 3.104 0 40 HGAB Cc1cc(C)c(NC(=O)C[S@](=O)CC(=O)N[C@H]2CCCc3ccccc32)c(C)c1 4906796 XGGOJNUNMUWLIQ-WRONEBCDSA-N 412.555 3.493 0 40 HGAB CC(=O)N1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc4c(c3)OCO4)=NN12 4980943 DRHQMAUEWDHYHB-LJQANCHMSA-N 405.454 3.297 0 40 HGAB COc1ccccc1CCNC(=O)c1ccc(Cl)c(N2CCCCS2(=O)=O)c1 5135847 DVVAUOPNEZUAHN-UHFFFAOYSA-N 422.934 3.251 0 40 HGAB O=S(=O)(Nc1ccc(N2CCCCS2(=O)=O)cc1)c1cccc(Cl)c1 5250709 QIZQWCVSBBWDJU-UHFFFAOYSA-N 400.909 3.071 0 40 HGAB CCCCn1cnc2c1c(=O)n(CCOc1ccccc1)c(=O)n2Cc1ccccc1 6105489 IRFAVJOQOBQBOP-UHFFFAOYSA-N 418.497 3.287 0 40 HGAB CCc1nn2c(=O)cc(CSc3nnc(-c4cccs4)n3CC)nc2s1 6588379 CSAWFQNVAAGBCK-UHFFFAOYSA-N 404.546 3.346 0 40 HGAB COc1ccc([C@@H](CNC(=O)C[C@H](NC(C)=O)c2ccccc2)N2CCCC2)cc1 6865334 FPJJLJLUEXHXEQ-XZOQPEGZSA-N 409.530 3.216 0 40 HGAB Cc1cccc(NC(=O)COC(=O)[C@H](CC(C)C)N2C(=O)c3ccccc3C2=O)c1 6867496 TYPHMCSYMVZTQU-IBGZPJMESA-N 408.454 3.188 0 40 HGAB O=C(Cc1c[nH]c2ccccc12)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@H]1CCCO1 7717866 PHHPOTOGZMCYKK-QGZVFWFLSA-N 416.481 3.155 0 40 HGAB COc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3C)C2)cc1 8039504 PMSBQHGZPXOSGL-AWEZNQCLSA-N 416.861 3.192 0 40 HGAB CC(C)(C)C(=O)/C=c1\[nH]c(=O)/c(=C\c2csc(-c3ccc(Cl)cc3)n2)s1 8322005 HLDTVSPLZKDFRI-JTHWEQIXSA-N 404.944 3.438 0 40 HGAB O=C1CCCN1c1ccc(S(=O)(=O)N(Cc2ccco2)Cc2ccco2)cc1 8326010 OHJLGDDOSJXEJU-UHFFFAOYSA-N 400.456 3.391 0 40 HGAB Cc1ccc(S(=O)(=O)N(C)CC(=O)OCc2ncc(-c3ccccc3)o2)cc1 8650761 QQEDYEDLKISGMY-UHFFFAOYSA-N 400.456 3.014 0 40 HGAB O=C1CCCN1c1ccc(S(=O)(=O)N[C@H](c2ccccc2)c2ccncc2)cc1 8745734 QWWBHKDYHWVBRY-JOCHJYFZSA-N 407.495 3.276 0 40 HGAB CC(=O)Nc1ccc(CC(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)cc1 8983188 ZIKSQROFTOJNLI-UHFFFAOYSA-N 415.515 3.001 0 40 HGAB COC(=O)c1sc2nc(-c3ccccc3)nc(C)c2c1NC(=O)N1CCOCC1 9303129 FVZIHYYSMCFJRZ-UHFFFAOYSA-N 412.471 3.317 0 40 HGAB Cc1ccc(NC(=O)CCc2nnc(SCC(=O)NC(C)(C)C)n2C)cc1Cl 9583015 QUIBAMBXPAZJCX-UHFFFAOYSA-N 423.970 3.355 0 40 HGAB C[C@@H](OC(=O)c1cn(-c2ccccc2)nc1-c1cccs1)C(=O)N1CCOCC1 10152169 BTSNFYQHLXJJGT-OAHLLOKOSA-N 411.483 3.005 0 40 HGAB O=S(=O)(NCc1ccc(OC(F)(F)F)cc1)c1ccc2c(c1)OCCCO2 10683539 AGTQRBURBBXELM-UHFFFAOYSA-N 403.378 3.225 0 40 HGAB CC[C@@H](C)[C@H](NC(N)=O)C(=O)NCc1cn(Cc2ccccc2)nc1-c1ccccc1 11340262 UKWLBBOXPGBNIZ-UTKZUKDTSA-N 419.529 3.298 0 40 HGAB Cc1ccnc(Nc2ccc(N3CCN(C(=O)/C=C/c4ccccc4)CC3)nn2)c1 11696913 FBUKKNQKXNLDCK-JXMROGBWSA-N 400.486 3.286 0 40 HGAB CC(=O)Nc1cccc(NC(=O)CSc2ccc(NC(=O)c3ccccc3)nn2)c1 11737777 RSWVVUDOSAZXBI-UHFFFAOYSA-N 421.482 3.418 0 40 HGAB CCn1nc(C)c(CCC(=O)N2CCC(c3noc(-c4ccncc4)n3)CC2)c1C 12276741 WDUOFZTVCWWIQB-UHFFFAOYSA-N 408.506 3.304 0 40 HGAB COc1ccc(OC)c2[nH]c(C(=O)N3CCC[C@H](c4nnc5ccccn45)C3)cc12 12389927 ZNOWITSFKPGELM-AWEZNQCLSA-N 405.458 3.248 0 40 HGAB C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)O[C@H](C)c3ccccc3)cc2)C[C@@H](C)O1 12737551 PDXHVQOLGUTOIG-IXDOHACOSA-N 403.500 3.403 0 40 HGAB C[C@H]1C[C@H]1C(=O)NCC(=O)NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 12925816 FMTNVOTYOUHJHV-MGPUTAFESA-N 406.461 3.067 0 40 HGAB O=C(Nc1nnc(C2CC2)s1)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 12952701 DWSVHRSDDPGRIF-JTQLQIEISA-N 407.293 3.170 0 40 HGAB CC(C)[C@@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)NC1CC(C)(C)NC(C)(C)C1 13006213 GPQZDPVEIAOCAJ-JXOMPUQVSA-N 421.607 3.027 0 40 HGAB COc1cccc(CNC(=O)Nc2cc3c(cc2N2CCCCC2)n(C)c(=O)n3C)c1 13364864 BWVAFNYDHWJSDO-UHFFFAOYSA-N 423.517 3.198 0 40 HGAB C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)N1CC[C@@H](C)Sc3ccccc31)C2=O 13988295 GGFKATDCBPMOHP-ZSDSOXJFSA-N 401.532 3.405 0 40 HGAB CCS(=O)(=O)N(C)c1ccc(C(=O)NCCSCc2ccc(C)cc2)cc1 14396186 SPJQBUUGAAAWKS-UHFFFAOYSA-N 406.573 3.444 0 40 HGAB O=C(C[C@@H]1CCCCN1S(=O)(=O)c1cccs1)NCCCc1ccccc1 15391319 ZVZMNJDWNCYEQV-SFHVURJKSA-N 406.573 3.430 0 40 HGAB COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2Cl)cc1Cl 16188440 FCNDBFAYTAXRHS-UHFFFAOYSA-N 403.287 3.261 0 40 HGAB O=S(=O)(c1ccc(N2CCN(c3ccc(F)cc3)CC2)nn1)C1CCCCC1 16843652 AADBQWLDVSRCPU-UHFFFAOYSA-N 404.511 3.049 0 40 HGAB Cc1ccc(OCc2nnc(SCC(=O)N3[C@@H](C)CCC[C@H]3C)n2N)c(C)c1 17951378 PURLOCIACZNUOB-IYBDPMFKSA-N 403.552 3.069 0 40 HGAB Cc1nc(S[C@H](C)C(=O)N2CC(=O)Nc3ccccc32)n(C[C@H]2CCCO2)c1C 18596257 UFHDMEZMTLRLGZ-HZPDHXFCSA-N 414.531 3.145 0 40 HGAB O=C(CN1C(=O)N2CCCN=C2c2ccc(Cl)cc21)NCc1cccc(F)c1 19293912 ZLVRYDCXUGHMAI-UHFFFAOYSA-N 400.841 3.188 0 40 HGAB COc1ccc(CN2CCC([C@@H](NC(=O)C(F)F)c3ccccn3)CC2)cc1OC 19560850 XOHMTOZPPJPEEA-HXUWFJFHSA-N 419.472 3.433 0 40 HGAB Cc1nc2cc3c(cc2n1CC(=O)Nc1ncc(-c2ccc(F)cc2)n1C)OCCO3 19718225 TUMSQSUZNBPWTL-UHFFFAOYSA-N 421.432 3.294 0 40 HGAB O=C(C[C@H]1C(=O)N(Cc2ccccn2)c2nc3ccccc3n21)NCc1ccccc1 19817697 XZHDPLKALZBDOY-NRFANRHFSA-N 411.465 3.226 0 40 HGAB O=C(Nc1ccc(F)cc1)[C@@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 20039567 PKJBAANBLZMTHM-GOSISDBHSA-N 404.507 3.439 0 40 HGAB Cc1ccc(OCCNC(=O)c2ccc(CS(=O)(=O)N3CCCCC3)cc2)cc1 20457644 KCQPOSNIBCHCJN-UHFFFAOYSA-N 416.543 3.120 0 40 HGAB CS(=O)(=O)Nc1cccc(C(=O)NCc2ccc(COCC(F)(F)F)cc2)c1 22283357 SXYQKNUONCSSRY-UHFFFAOYSA-N 416.421 3.067 0 40 HGAB CCc1ccccc1N(CC(=O)NCc1cccc(OC(C)C)c1)S(C)(=O)=O 22329779 FQFHPZZNFUNKCV-UHFFFAOYSA-N 404.532 3.119 0 40 HGAB CCOc1ccc(CCCNC(=O)CN(c2ccc(CC)cc2)S(C)(=O)=O)cc1 22361707 AXLLRMPEAFPWKU-UHFFFAOYSA-N 418.559 3.163 0 40 HGAB Cn1ccnc1C(=O)c1ccc(NC(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)cc1 22965285 DKLBTRSPGHXNKR-LJQANCHMSA-N 418.453 3.021 0 40 HGAB COC(=O)c1ccc(OC[C@@H](O)COc2ccc(NC(=O)c3ccco3)cc2)cc1 27213240 PVZADBKKNFMLSK-QGZVFWFLSA-N 411.410 3.137 0 40 HGAB COC(=O)c1ccc(OC[C@H](O)COc2ccc(NC(=O)c3ccco3)cc2)cc1 27213244 PVZADBKKNFMLSK-KRWDZBQOSA-N 411.410 3.137 0 40 HGAB CC(C)(C)c1cc(NC(=O)CSCc2ccccc2)n([C@@H]2CCS(=O)(=O)C2)n1 28621532 HNWWGPUIIHASAT-MRXNPFEDSA-N 421.588 3.412 0 40 HGAB O=C1NC2(CCCCC2)C(=O)N1CN1CCN(Cc2csc3ccccc23)CC1 28790393 ICBLRPAQNYVOEW-UHFFFAOYSA-N 412.559 3.231 0 40 HGAB Cc1ccc([C@H](C)NC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)c(C)c1 30756049 UQXLNOQMPLTUFI-IFXJQAMLSA-N 422.934 3.361 0 40 HGAB O=C(CCc1nc2ccccc2[nH]c1=O)N1CCC(c2nc3ccccc3o2)CC1 32553730 NVXRXALZLVZGIG-UHFFFAOYSA-N 402.454 3.403 0 40 HGAB CCc1ccc(NC(=O)[C@H](CCSC)NC(=O)[C@@H]2Cc3ccccc3CN2)cc1 35485529 SFAJBHFFAZTTBJ-SFTDATJTSA-N 411.571 3.140 0 40 HGAB COc1ccc(CC(=O)Nc2nn(C)c3c2[C@H](c2ccccc2)CC(=O)N3)cc1OC 35597865 JFKPNJBYYYASBA-INIZCTEOSA-N 420.469 3.093 0 40 HGAB O=C(Nc1ccc(OC(F)(F)F)cc1)c1cn(C[C@@H]2CCCO2)cc2c(=O)[nH]nc1-2 36705889 MFZCNJSKTNKPLA-ZDUSSCGKSA-N 422.363 3.006 0 40 HGAB CC(C)CC[C@@H](C)NC(=O)COC(=O)c1ccccc1SCC(=O)N1CCCC1 36784389 QFAVWGIOMYPICF-QGZVFWFLSA-N 420.575 3.499 0 40 HGAB COc1ccc([C@H](C)NC(=O)C2CCN(C(=O)NCc3ccco3)CC2)cc1F 40131526 VLXUQPOXCQLZFI-AWEZNQCLSA-N 403.454 3.226 0 40 HGAB CC(C)NC(=O)c1cccc(NC(=O)[C@@H]2CCCN(c3ccc(Cl)nn3)C2)c1 40133690 KSFCWEHQZIEPDJ-OAHLLOKOSA-N 401.898 3.123 0 40 HGAB Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)NCCc3cn4ccccc4n3)C2)c1 40144482 CVANGNKQXYBKOP-IBGZPJMESA-N 404.514 3.162 0 40 HGAB CN(C(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1)c1ccc(C(N)=O)cc1 40156996 PEWWLXXZWKLGQW-UHFFFAOYSA-N 408.479 3.036 0 40 HGAB O=C(NCc1cccnc1OC1CCCC1)[C@H]1CSCN1C(=O)c1ccccc1 41426741 DGVUJPWIOAAXDO-LJQANCHMSA-N 411.527 3.235 0 40 HGAB C[C@H]1CCCN(c2nc3ncn(CC(=O)NCCC4=CCCCC4)c(=O)c3s2)C1 67226098 WLBJOFSDMDWSHU-HNNXBMFYSA-N 415.563 3.096 0 40 HGAB CC(C)c1ccc(-c2cc3c(=O)n(CCC(=O)NCc4cccnc4)ccn3n2)cc1 67261039 MAWNZWACCAGUEA-UHFFFAOYSA-N 415.497 3.388 0 40 HGAB O=S1(=O)N=C2N=CN(Cc3coc(-c4cccc(Cl)c4)n3)N2c2ccccc21 71890314 KNADLSHMXSZVIT-UHFFFAOYSA-N 413.846 3.319 0 40 HGAB Cc1n[nH]cc1CNC(=O)c1ccccc1Sc1ccc(S(C)(=O)=O)cc1 72302808 PHEQYHXXRLQUBS-UHFFFAOYSA-N 401.513 3.203 0 40 HGAB Cc1cc(-c2cnc(N3CCOCC3)nc2C2CCN(c3ncccc3C)CC2)on1 72342350 YNPXBTTVYUZQLO-UHFFFAOYSA-N 420.517 3.364 0 40 HGAB CCOC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2cc(C3CC3)[nH]n2)CC1 95948481 XFACRHJODISHJW-LJQANCHMSA-N 416.909 3.003 0 40 HGAB Cc1ccc(C(=O)NCC2(C)CCOCC2)cc1S(=O)(=O)NCc1ccccc1 95964542 RHRWHVREFHEAEA-UHFFFAOYSA-N 416.543 3.020 0 40 HGAB COc1ccc(S(=O)(=O)C2CN(C(=O)c3cc(-c4ccc(F)cc4)c[nH]3)C2)cc1 96377985 NHAYHMCLUQHUKJ-UHFFFAOYSA-N 414.458 3.128 0 40 HGAB COC(=O)[C@@]1(CC(=O)OCc2ccccc2)C(=O)C[C@H]2CC[C@H]1N2Cc1ccccc1 100186428 GDTMPFQXOAQHNR-DNRQZRRGSA-N 421.493 3.285 0 40 HGAB CCc1cc(=O)oc2c(C)c(O[C@H](C)C(=O)NC[C@H]3CC[C@H](C(=O)O)CC3)ccc12 100765298 VRZNREAVGVERFB-INMHGKMJSA-N 415.486 3.438 0 40 HGAB CCOC(=O)[C@@H]1CCCN([C@H](c2cccs2)c2sc3nc(CC)nn3c2O)C1 102896692 UDDGGNMQFSPRFE-IUODEOHRSA-N 420.560 3.485 0 40 HGAB CCOc1ccc(S(=O)(=O)N(CC(=O)NCC(C)C)c2ccc(F)cc2)cc1 113937471 KSHIKPHPJHBCQU-UHFFFAOYSA-N 408.495 3.192 0 40 HGAB CCc1ccc(N([C@@H](C)C(=O)Nc2cc(OC)ccc2OC)S(C)(=O)=O)cc1 220264546 OAVMSRDQBXDFBH-AWEZNQCLSA-N 406.504 3.059 0 40 HGAB CC[C@H](C(=O)NCCCc1cccc(OC)c1)N(c1cccc(C)c1)S(C)(=O)=O 220516187 XYUHZPJLQMOOIE-OAQYLSRUSA-N 418.559 3.297 0 40 HGAB COc1ccc(CCCNC(=O)c2cc(N(C)S(C)(=O)=O)ccc2Cl)cc1 222500576 BHEUUTVJRGQVRO-UHFFFAOYSA-N 410.923 3.107 0 40 HGAB C[C@@H](C(=O)NCCOc1cccc2ccccc12)N(c1ccccc1)S(C)(=O)=O 223520617 QPWFDZXYKOPGJA-KRWDZBQOSA-N 412.511 3.190 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)N1CCC[C@@H](C)C1 224030673 HFOQBAGKKWKHJM-QGZVFWFLSA-N 408.564 3.061 0 40 HGAB COc1ccccc1CN(C)C(=O)CCCN(c1ccccc1F)S(C)(=O)=O 224653203 LKFRMPCZZDNZFI-UHFFFAOYSA-N 408.495 3.039 0 40 HGAB C[C@]12C[C@@H](c3ccccc3)C[C@](CO)(CC[C@@H](NC(=O)CCc3ccccc3)[C@@H]1O)O2 257250995 JOXUIPAARRSXDA-XQNQHWQKSA-N 423.553 3.343 0 40 HGAB C[C@@H]1CC[C@@H]2[C@@H](C1)c1c(ccc(C(=O)NCCN3CCOCC3)c1O)OC2(C)C 257320395 VWPRVWBHPKAFHD-KBAYOESNSA-N 402.535 3.145 0 40 HGAB CC(C)c1ccccc1NC(=O)[C@@H](C)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 408704853 ULHHGMDQOXBYGT-OAHLLOKOSA-N 418.515 3.374 0 40 HGAB NC(=O)CN(Cc1c(Cl)cccc1Cl)S(=O)(=O)c1ccc(Cl)cc1 409057977 QQYKZUCTBTVJMG-UHFFFAOYSA-N 407.706 3.323 0 40 HGAB Cc1ccccc1/C=[N+]1\NC(=O)[C@@H](NC(=O)c2ccc(F)cc2)[C@H]1c1ccccc1 409062307 RMXPIMUBOBJMOX-DCFWFYTKSA-O 402.449 3.150 0 40 HGAB O=C(NCc1ccc(F)cc1)C(=O)NC[C@H](O)c1ccc(-c2ccsc2)s1 670920142 GIKLXZYIZSBWQX-HNNXBMFYSA-N 404.488 3.082 0 40 HGAB CCc1ccc(OCc2nnc(SCC(=O)NCc3ccco3)n2CC)cc1 916129 KSGIWDGGKGXURK-UHFFFAOYSA-N 400.504 3.441 0 40 HGAB Cc1ccc2c(c1)[C@]1(S[C@H](CC(=O)O)C(=O)N1c1ccc(Cl)cc1)C(=O)N2 1610109 JACIJGQBKSMLHZ-BEFAXECRSA-N 402.859 3.377 0 40 HGAB Cc1ccc(NC(=O)c2sc3ncn(CC(=O)N4CCCC4)c(=O)c3c2C)c(C)c1 1789838 QVPCRIDEWHJJEV-UHFFFAOYSA-N 424.526 3.258 0 40 HGAB CCOC(=O)c1ccc(N2C(=O)c3ccc(C(=O)Nc4nccs4)cc3C2=O)cc1 2312111 IRFJJQMSLKGBCX-UHFFFAOYSA-N 421.434 3.373 0 40 HGAB C[C@]1(c2ccccc2Cl)NC(=O)N(CC(=O)Nc2ccccc2OC(F)F)C1=O 2644026 JTXPWDISFSCIFP-LJQANCHMSA-N 423.803 3.347 0 40 HGAB CN(C)S(=O)(=O)c1ccc(C(=O)NCCc2ccc(Cl)cc2Cl)cc1 3447392 DIUBGHIUVRILCJ-UHFFFAOYSA-N 401.315 3.216 0 40 HGAB Cc1cc(NC(=O)CN2C(=O)N[C@@]3(CCCC[C@H]3C)C2=O)ccc1Br 4515435 CUXBEEBBNICWRL-KZULUSFZSA-N 408.296 3.197 0 40 HGAB CC(C)(C)NC(=O)[C@H](c1cccnc1)N(Cc1ccccc1)C(=O)c1csnn1 4858790 ZNGFESMIQUXQAU-SFHVURJKSA-N 409.515 3.232 0 40 HGAB CS(=O)(=O)N(CCCC(=O)N1CCc2ccccc2C1)c1ccc(Cl)cc1 4986328 ZCVCAUMYUCTUEE-UHFFFAOYSA-N 406.935 3.471 0 40 HGAB COCCCn1c(C(=O)N[C@@H](C)c2ccccc2)cc2c(=O)n3cccc(C)c3nc21 5325108 ACBCRTALYLUCGT-KRWDZBQOSA-N 418.497 3.485 0 40 HGAB COc1cc2ncn(CC(=O)Nc3c(C)cc(C)cc3Cl)c(=O)c2cc1OC 5938598 KMPUJNKGAGMEJL-UHFFFAOYSA-N 401.850 3.323 0 40 HGAB CCCCCNC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 6050958 FNKZTCLRUQVCAM-UHFFFAOYSA-N 420.531 3.449 0 40 HGAB CCOc1ccc(/C=C/C(=O)OCC(=O)c2cc3c4c(c2)CC(=O)N4CCC3)cc1 6604791 HICFRXVLSMRUPR-JXMROGBWSA-N 405.450 3.360 0 40 HGAB NC(=O)c1ccsc1NC(=O)CSc1nnc(NCc2ccccc2)s1 6788678 QCBRMSCKNASWQK-UHFFFAOYSA-N 405.530 3.041 0 40 HGAB COCCn1c(SCC(=O)NC(=O)c2cccs2)nnc1-c1cccc(C)c1 6851403 MGBDGLATYMWXGN-UHFFFAOYSA-N 416.528 3.010 0 40 HGAB CC(C)[C@H](C)NC(=O)CSc1nc2cc(Cl)ccc2c(=O)n1C[C@H]1CCCO1 6882123 ZKBDWDZVIZCVEG-DZGCQCFKSA-N 423.966 3.482 0 40 HGAB C[C@@H](C(=O)NCCSCc1ccco1)N(c1cccc(Cl)c1)S(C)(=O)=O 7872119 FXHAZMMHAMOXOF-ZDUSSCGKSA-N 416.952 3.137 0 40 HGAB Cc1ccc(N(CCCC(=O)NCCSc2ccccc2)S(C)(=O)=O)cc1 8041799 OWRKYTLVRQDABA-UHFFFAOYSA-N 406.573 3.450 0 40 HGAB O=S(=O)(c1ccc(SCc2ccc(-n3cccn3)cc2)nc1)N1CCCC1 8164535 OQNXVEJKONTEFE-UHFFFAOYSA-N 400.529 3.344 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)NCc1cccs1 8189937 FZKJWBGZVBSZGU-UHFFFAOYSA-N 408.545 3.251 0 40 HGAB CCCN1CCN(C(=O)c2ccc(S(=O)(=O)N(CC)c3ccccc3)cc2)CC1 8324112 XQWJINHRTWNBIS-UHFFFAOYSA-N 415.559 3.070 0 40 HGAB Cc1ccc(S(=O)(=O)c2cn(CC(=O)NCc3cccnc3)c3ccccc23)cc1 8865389 SOZFKGUEPPPKNO-UHFFFAOYSA-N 419.506 3.494 0 40 HGAB COc1ccc(C(=O)Nc2nc3c(s2)CC[C@H]3C(=O)NCc2ccncc2)cc1 8979851 AMXRNPWGEZKHNK-MRXNPFEDSA-N 408.483 3.145 0 40 HGAB COc1ccc(OC)c(C2=NO[C@@]3(C(=O)Nc4ccccc43)[C@H]2C(=O)c2ccco2)c1 9129793 TWQSYBDEUGQNEV-AUSIDOKSSA-N 418.405 3.378 0 40 HGAB COc1cccc(N2C(SCc3cccc(F)c3)=N[C@@H]3CS(=O)(=O)C[C@@H]32)c1 9306492 QRAJPJPSEZEJDJ-MSOLQXFVSA-N 406.504 3.109 0 40 HGAB COc1cccc(C(=O)N[C@@]2(C(F)(F)F)N=C(O)N(CC3CCCCC3)C2=O)c1 9316972 TXGKTBMXJRMGQK-GOSISDBHSA-N 413.396 3.020 0 40 HGAB Cc1ccc(OCCNC(=O)c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)cc1 9691318 NMADIRBJMRPVLM-UHFFFAOYSA-N 416.543 3.224 0 40 HGAB CC(=O)Nc1ccc(NC(=O)C2CCN(C(=O)c3n[nH]c4ccccc34)CC2)cc1 12235341 FRQYIEPFBCJYET-UHFFFAOYSA-N 405.458 3.012 0 40 HGAB O=C(CCNS(=O)(=O)c1ccc(F)cc1)Nc1ccc(N2CCCCC2)cc1 12596943 NNTCEZZTERGUPF-UHFFFAOYSA-N 405.495 3.123 0 40 HGAB CCN(CC(=O)Nc1cccc(OC)c1)Cc1nc(COc2ccc(F)cc2)no1 12762272 XXHPVXXOKKXRTB-UHFFFAOYSA-N 414.437 3.257 0 40 HGAB CCC(=O)Nc1cccc(NS(=O)(=O)c2ccc(OC)c(NC(C)=O)c2)c1C 12770120 YDLMHTWXUIDRRD-UHFFFAOYSA-N 405.476 3.111 0 40 HGAB CC(=O)NC12C[C@H]3C[C@@H](C1)CC(C(=O)N(C)CC(=O)Nc1ccccc1Cl)(C3)C2 12878551 BOJPNRAWYJHOCS-MBWAJUJLSA-N 417.937 3.212 0 40 HGAB CC[C@@]1(c2ccc(OC)cc2)NC(=O)N(Cc2nc(-c3ccccc3OC)no2)C1=O 12975616 HGHWQKUZFLKFNC-QFIPXVFZSA-N 422.441 3.111 0 40 HGAB O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)Nc1cc(Cl)ccc1Cl 12991927 GCVHJQUTUNLPDL-UHFFFAOYSA-N 404.253 3.004 0 40 HGAB O=C(CN1C(=O)S/C(=C2\C(=O)Nc3ccccc32)C1=O)Nc1ccc(Cl)cc1 13017209 HURMGLVXASYLPC-NXVVXOECSA-N 413.842 3.337 0 40 HGAB CCOc1cccc(NC(=O)CN(c2ccc(F)c(Cl)c2)S(C)(=O)=O)c1 13673482 XJZHKLNTDLFLQJ-UHFFFAOYSA-N 400.859 3.283 0 40 HGAB CCOC(=O)C1=C(C)N=C2N=C(C(F)(F)F)NN2[C@H]1c1ccc(OC(F)F)cc1 14361392 UCRJWTXNUUBBTJ-LBPRGKRZSA-N 418.322 3.317 0 40 HGAB COc1cccc(NS(=O)(=O)c2ccc(OC)c(C(=O)N3CCC(C)CC3)c2)c1 14401930 NHQFNGDCSJXYLD-UHFFFAOYSA-N 418.515 3.377 0 40 HGAB C[C@H]1CS(=O)(=O)N(c2ccc(C(=O)Nc3cccc(C(F)(F)F)c3)cc2)C1=O 15842982 UBARJZVONOYLBL-NSHDSACASA-N 412.389 3.270 0 40 HGAB O=C(CN(C(=O)c1csnn1)c1ccc(F)c(Cl)c1)NCc1ccccc1 15935975 DBCIZXBADKTBAK-UHFFFAOYSA-N 404.854 3.294 0 40 HGAB CC(C)(C)C(=O)[C@H]1[C@H]2C(=O)N(c3cccc4ccccc34)C(=O)[C@H]2[C@@H]2C=CC=NN21 18178308 JIHQJIGEGIXXJB-LWYYNNOASA-N 401.466 3.169 0 40 HGAB Cc1nn(-c2ccc(F)cc2)c(C)c1CNC(=O)CCc1nc(-c2ccccn2)no1 19578396 INERKJYIZQHCOG-UHFFFAOYSA-N 420.448 3.322 0 40 HGAB CNC(=O)[C@@]1(Cc2ccccc2-c2cncnc2)CCCN(Cc2ccccn2)C1 19591328 MGMKWPYONXMYTF-XMMPIXPASA-N 401.514 3.110 0 40 HGAB COc1cccc(CC(=O)N2CCC[C@H](c3ccc(-c4cnc(N)nc4)cn3)C2)c1 19688765 RIEDOLIXCJYVJT-SFHVURJKSA-N 403.486 3.078 0 40 HGAB CN(Cc1nc([C@@H]2CCCNC2)cc(N(C)C)n1)C(=O)CCCc1ccc(F)cc1 19710035 NCWILLCRSYXQOW-GOSISDBHSA-N 413.541 3.130 0 40 HGAB COc1cccc(-c2cc(C(=O)N(C)Cc3ccccc3N3CCOCC3)on2)c1 19718578 BLLLMRCXSJAJCF-UHFFFAOYSA-N 407.470 3.459 0 40 HGAB Cc1nc([C@H]2CCCN(Cc3ccccn3)C2)ncc1C(=O)NCc1ccccc1 19763532 IIUXONHOYKIPES-FQEVSTJZSA-N 401.514 3.490 0 40 HGAB Cc1nc([C@@H]2CCCCN2C(=O)c2cccnc2)ncc1C(=O)NCc1ccccc1 19766384 QDAKENYVMOAFDH-NRFANRHFSA-N 415.497 3.477 0 40 HGAB CCCCNC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1c(C)cc(C)cc1C 19931252 ISPUNXPLTOPOLF-HXUWFJFHSA-N 402.560 3.418 0 40 HGAB COc1ccc([C@@H](C)NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2C)cc1 20050418 WJXAMBBRNRWVLB-MRXNPFEDSA-N 402.516 3.279 0 40 HGAB CCC(=O)N(CC)c1cc(C)ccc1OCC(=O)NC1=NN(c2ccccc2)CC1 20512564 FXHJMKQHXZIJOO-UHFFFAOYSA-N 408.502 3.477 0 40 HGAB CCOC(=O)[C@@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@@H]1c1cccc(C)c1 20802192 LNJHTZZPPZWEHD-VQTJNVASSA-N 407.470 3.106 0 40 HGAB CC(C)c1ccccc1N(CC(=O)NCCSCc1ccco1)S(C)(=O)=O 22388936 YAFOJHZMKBABSE-UHFFFAOYSA-N 410.561 3.219 0 40 HGAB CCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)CN1CCOCC1 23750047 OBDSPVOERLQPKC-UHFFFAOYSA-N 402.516 3.479 0 40 HGAB COc1cccc(C(=O)N2CCN(C(=O)c3ccc(-n4nc(C)cc4C)cc3)CC2)c1 24752203 GIDIVUQOMGDEHV-UHFFFAOYSA-N 418.497 3.096 0 40 HGAB CCNC(=O)CN(CC)C(=O)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1 25274273 WAPFYZTURVVFRJ-UHFFFAOYSA-N 400.866 3.384 0 40 HGAB Cc1ccc([C@H](CNC(=O)CCCc2nc(-c3ccccc3)no2)N2CCOCC2)o1 25399387 HEGJSXILMJZQMC-IBGZPJMESA-N 424.501 3.150 0 40 HGAB CNS(=O)(=O)c1cccc(C(=O)N2CCc3sccc3[C@H]2c2ccccc2)c1 25896778 VFXDYGQMRUPIDS-HXUWFJFHSA-N 412.536 3.444 0 40 HGAB COc1ccc([C@@H]2CCCCCN2C(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)cc1 27161233 KLMFVPDRSZMRNA-FQEVSTJZSA-N 421.497 3.232 0 40 HGAB O=C1CN(c2ccc(NC(=O)CCOc3ccccc3-c3ccccc3)cn2)CCN1 27269025 AHKWPVMNWLFSPJ-UHFFFAOYSA-N 416.481 3.092 0 40 HGAB COc1ccc(CSc2nnc(Nc3ccccc3C(F)(F)F)c(=O)n2N)cc1 28536304 SXQRUEJWCXMAKS-UHFFFAOYSA-N 423.420 3.415 0 40 HGAB CNC(=O)[C@@H]1CN(C(=O)c2sc3cccc(F)c3c2COC)c2ccccc2O1 29767822 XQUYILZEGBGIGY-INIZCTEOSA-N 414.458 3.341 0 40 HGAB COc1ccc([C@H](C)NC(=O)c2ccc(NS(C)(=O)=O)cc2Cl)cc1OC 30852060 QLKFXXLDZRRVKR-NSHDSACASA-N 412.895 3.220 0 40 HGAB CC(C)n1ncc2c(C(=O)Nc3ccc4c(c3)C(=O)N(C)C4=O)cc(C3CC3)nc21 32674452 DMCPRMMODHHLHW-UHFFFAOYSA-N 403.442 3.368 0 40 HGAB O=C(NCCn1ncc2c(NCCc3ccccc3)ncnc21)c1ccc(F)cc1F 35590575 RAKHIYWIVFPTLU-UHFFFAOYSA-N 422.439 3.189 0 40 HGAB COc1ccc(S(=O)(=O)NCCCN2CCO[C@@H](c3ccccc3)C2)cc1Cl 36700327 ZSJOAQLDAILFGN-HXUWFJFHSA-N 424.950 3.091 0 40 HGAB CCCCCn1c(=O)c2ccccc2n(Cc2nc(-c3cccc(OC)c3)no2)c1=O 38652639 UXMSPUYYFKKHBC-UHFFFAOYSA-N 420.469 3.460 0 40 HGAB CCOC(=O)N[C@H]1CCCN(Cc2cc(=O)n3c(-c4ccccc4)csc3n2)C1 48289476 MKICUGDEOIQPFI-INIZCTEOSA-N 412.515 3.134 0 40 HGAB O=C(CN1CCC(c2nc(-c3cccs3)no2)CC1)NCc1ccc(F)cc1 49403605 DUROKFKEWQBBDT-UHFFFAOYSA-N 400.479 3.433 0 40 HGAB Cc1ccc(-c2csc3c(=O)[nH]c(N4CCC[C@H](C(=O)NC5CC5)C4)nc23)cc1 49421254 VXBUSMAMGFHAST-HNNXBMFYSA-N 408.527 3.455 0 40 HGAB CNC(=O)[C@@H]1CN(C(=O)CSc2nc3cc(Cl)ccc3o2)c2ccccc2O1 53850083 BNMYXJUNBKSLNA-INIZCTEOSA-N 417.874 3.114 0 40 HGAB CCCn1c(=O)c2sccc2n(CC(=O)Nc2ccccc2C(F)(F)F)c1=O 57478814 LYNBUWRRKFUIGZ-UHFFFAOYSA-N 411.405 3.292 0 40 HGAB C[C@@H](C(=O)Nc1cccc(NC(=O)NC[C@@H]2Cc3ccccc3O2)c1)n1cccn1 65627153 PSVAFGSUXVEVHH-KXBFYZLASA-N 405.458 3.208 0 40 HGAB O=C1C[C@@H](C(=O)NCc2cccc(C(F)(F)F)c2)[C@@H](c2ccc3c(c2)OCCO3)O1 66088447 WSWIYSMTSMKDLQ-DNVCBOLYSA-N 421.371 3.397 0 40 HGAB COc1ccc(Br)cc1NC(=O)N(CCC(N)=O)Cc1ccccc1 69381141 OOYLXDDPAFVWCT-UHFFFAOYSA-N 406.280 3.367 0 40 HGAB O=C(O)[C@@H]1COC2(CCN(Cc3ccccc3)CC2)N1C(=O)CCC1CCCC1 71980694 SHMHWJOHYRBUHW-FQEVSTJZSA-N 400.519 3.261 0 40 HGAB CCOCc1ccc(C(=O)N2CCCC[C@@H]2c2nc3c(c(NC)n2)CN(C)CC3)cc1 72372312 GIHCPBNDPXRRBI-OAQYLSRUSA-N 423.561 3.410 0 40 HGAB O=C(CCc1ccccc1)N1CCC[C@]12CCCN(S(=O)(=O)c1ccccc1)C2 96214541 ZSQQGMSRWQJXIV-QHCPKHFHSA-N 412.555 3.465 0 40 HGAB Cc1ccc(S(=O)(=O)Oc2ccc(N3C(=O)[C@H]4[C@H]5CC[C@@H](C5)[C@@H]4C3=O)cc2)cc1 100566973 LJBRUJGOZAZHRY-SLUIBLPYSA-N 411.479 3.298 0 40 HGAB CCOc1cc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)ccc1OCC(N)=O 106685361 WRABBSROLIMRPL-WQRHYEAKSA-N 412.467 3.186 0 40 HGAB COC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl 113879363 NHVSJQKBKRVXNQ-UHFFFAOYSA-N 404.271 3.370 0 40 HGAB O=C(N[C@H]1CCN(c2ccc(C(F)(F)F)cn2)C1)c1ccc(Br)o1 206788464 ZUZUMQMRKAIHPK-JTQLQIEISA-N 404.186 3.465 0 40 HGAB Cc1ccc(OC[C@@H](C)NC(=O)[C@H](C)N(c2cccc(C)c2)S(C)(=O)=O)cc1 220149601 FPJSADZAFIQSDB-MSOLQXFVSA-N 404.532 3.042 0 40 HGAB CCOc1ccc(N([C@H](CC)C(=O)Nc2cccc(C(C)=O)c2)S(C)(=O)=O)cc1 220672641 WGULRJNAKBIYHF-HXUWFJFHSA-N 418.515 3.471 0 40 HGAB Cc1cc(C(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)ccc1N(C)S(C)(=O)=O 222481592 XWPNBLZJUSMSIS-QGZVFWFLSA-N 402.516 3.423 0 40 HGAB CCOc1ccc(N(CC(=O)NCc2ccc3ccccc3c2)S(C)(=O)=O)cc1 222760177 JGKHIXSVYGBIGV-UHFFFAOYSA-N 412.511 3.321 0 40 HGAB C[C@H](NC(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O)c1ccc2c(c1)CCC2 223186670 GWNHDIDZHRSWRY-ZDUSSCGKSA-N 408.470 3.097 0 40 HGAB CS(=O)(=O)Nc1ccc(C(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)cc1 223746456 AWPQHCYNNPXKMC-UHFFFAOYSA-N 408.892 3.482 0 40 HGAB CCn1c(=O)sc2cc(S(=O)(=O)NCCOc3cc(C)ccc3C)ccc21 224052938 WISYXWRBAJYIGJ-UHFFFAOYSA-N 406.529 3.057 0 40 HGAB COc1cc(NC(=S)N[C@@H](CC(=O)O)c2ccc(Cl)cc2Cl)ncn1 225220321 XGPHAGKHDJSWLM-NSHDSACASA-N 401.275 3.294 0 40 HGAB Cc1nc(-c2ccccc2)ncc1C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 225792362 PBXRFLMLSIWUMG-UHFFFAOYSA-N 416.481 3.139 0 40 HGAB COc1ccc(N(C)C(=O)[C@@H]2CCCN(S(=O)(=O)c3cc(C)ccc3C)C2)cc1 225920657 IHFOXWXUWYVAHT-GOSISDBHSA-N 416.543 3.376 0 40 HGAB COc1ccc(CCNC(=O)COc2ccc(C(=O)OC(C)C)cc2)cc1OC 226823168 CBMOZISHNYCWIZ-UHFFFAOYSA-N 401.459 3.007 0 40 HGAB O=C(Nc1cccc2cc(Br)cnc12)N1CCN(C(=O)C2CC2)CC1 554522212 QAZFFTMXHXYQLT-UHFFFAOYSA-N 403.280 3.083 0 40 HGAB Cc1ccc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCO3)cc1NS(C)(=O)=O 590577117 MCLJVEIURNCRFP-QGZVFWFLSA-N 402.472 3.073 0 40 HGAB CC(C)[C@@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)N1CC(Oc2ccncc2)C1 594178712 HIMFMNALYJVPFC-XMMPIXPASA-N 417.509 3.208 0 40 HGAB Cc1cccc(C2(C(=O)N3CCc4c(cccc4S(=O)(=O)N(C)C)C3)CCC2)c1 671230911 WHLMODUVUMOOMK-UHFFFAOYSA-N 412.555 3.252 0 40 HGAB CN(CCc1cccc(Br)c1)C(=O)c1cnc(C2(C)OCCO2)s1 1615611221 XHAGDKUWLKBJCY-UHFFFAOYSA-N 411.321 3.440 0 40 HGAB COc1ccc(S(=O)(=O)N2[C@H]3CC[C@H]2CC(n2cc(C(C)(C)C)nn2)C3)cc1C 1775976170 VMQIOUIQYGNAEZ-HOTGVXAUSA-N 418.563 3.449 0 40 HGAB Cc1nc(N2CCN(c3ccc4nc(C(C)(C)C)cn4n3)CC2)c2ccncc2n1 1888922023 HJTSQQJMFLJYIR-UHFFFAOYSA-N 402.506 3.000 0 40 HGAB O=C(NCCc1ccc(-c2cccs2)s1)C(=O)NCc1ccc2c(c1)OCO2 1889240331 FIVKEGYCWNKJBP-UHFFFAOYSA-N 414.508 3.180 0 40 HGAB O=C(CSc1nnc(-c2ccncc2)n1Cc1ccco1)Nc1cccc(O)c1 676450 FDTLFVYBQUHCAZ-UHFFFAOYSA-N 407.455 3.418 0 40 HGAB O=C(Cn1nnc(-c2ccccc2)n1)Nc1cnn(Cc2cccc3ccccc23)c1 2787908 KSQXVGHDVAAARW-UHFFFAOYSA-N 409.453 3.377 0 40 HGAB Cn1nc(C(=O)OCC(=O)Nc2cc(Cl)cc(Cl)c2)c2ccccc2c1=O 3272013 SGONDFHZDFORJD-UHFFFAOYSA-N 406.225 3.036 0 40 HGAB COc1ccc(C(=O)N(c2cc(C)cc(C)c2)[C@@H]2C=CS(=O)(=O)C2)c(OC)c1 4165635 JDLUPEUYDBFUBW-MRXNPFEDSA-N 401.484 3.278 0 40 HGAB Cc1cc(C)c(NC(=O)[C@H](C)OC(=O)c2ccc(N3C(=O)CCC3=O)cc2)c(C)c1 4351847 WVHMUHSGOYZEFH-INIZCTEOSA-N 408.454 3.449 0 40 HGAB COc1ccc(C(=O)Oc2coc(CSc3nccc(C)n3)cc2=O)cc1OC 4377214 RKOJYHJILURKMW-UHFFFAOYSA-N 414.439 3.267 0 40 HGAB CCc1ccc(N2C(=O)[C@@H]3N=NN(CC(=O)Nc4ccc(C(C)C)cc4)[C@H]3C2=O)cc1 4483295 WFOWWIKOAMPKDP-NHCUHLMSSA-N 419.485 3.304 0 40 HGAB CCOc1ccccc1N1CCN(C(=O)C2CCN(Cc3cccc(O)c3)CC2)CC1 4676915 PDPSLVDCNUZYFL-UHFFFAOYSA-N 423.557 3.352 0 40 HGAB CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)OCC(=O)N(C)Cc1ccccc1 4985099 VXNAIVKSVWBBPQ-NRFANRHFSA-N 412.486 3.139 0 40 HGAB CC[C@]1(c2ccc(OC)cc2)NC(=O)N(CC(=O)c2cc(C)n(C3CC3)c2C)C1=O 5264799 JELFVHCBBTTXCE-HSZRJFAPSA-N 409.486 3.488 0 40 HGAB CC(=O)Oc1cc2oc3cc(OC(C)=O)c(OC(C)=O)cc3c2cc1OC(C)=O 5712286 NFADNKIYRPQYJZ-UHFFFAOYSA-N 400.339 3.287 0 40 HGAB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(N2CCC(c3ccccc3)=N2)cc1 6053274 GRSGTNWEWNBDKV-NRFANRHFSA-N 404.470 3.492 0 40 HGAB COCCCNc1nc2ccccc2nc1N(C)S(=O)(=O)c1ccc(C)cc1 6588840 PFOFRCXRTJNJAS-UHFFFAOYSA-N 400.504 3.212 0 40 HGAB C[C@H](NC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)c1ccc(F)cc1 6626466 VZSXTQFTJDCUNV-AWEZNQCLSA-N 402.447 3.388 0 40 HGAB O=C(Nc1ccc(F)cc1)c1nc(S(=O)(=O)Cc2ccccc2)ncc1Cl 6748082 ZHVKQRSPCUAPAK-UHFFFAOYSA-N 405.838 3.495 0 40 HGAB CCn1c(SCC(=O)NC(=O)NCCC2=CCCCC2)nnc1-c1ccco1 6880896 RKDFSSCAYLLTKP-UHFFFAOYSA-N 403.508 3.366 0 40 HGAB COc1ccc(COC(=O)CN2C(=O)N[C@@]3(C[C@@H](C)CC(C)(C)C3)C2=O)cc1F 6944568 UCCSWXOJTGTGHX-YEJXKQKISA-N 406.454 3.014 0 40 HGAB CCCCN1C(=O)c2ccc(C(=O)O[C@H](C)C(=O)N3CCCCCC3)cc2C1=O 7259129 FFHZBJBYLZEBLM-OAHLLOKOSA-N 400.475 3.031 0 40 HGAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CSc1nnnn1C1CCCCC1 8324932 SWBYJACTGKMPRJ-ZDUSSCGKSA-N 400.508 3.034 0 40 HGAB CCCNC(=O)OC[C@H]1C[C@@H]2CCN1C[C@@H]2c1cc(-c2ccc(OC)cc2)nn1C 8635297 WHTNZQHPDMCEMQ-NSHGMRRFSA-N 412.534 3.410 0 40 HGAB biogenic,in-vitro Cc1cccc2c(=O)n(CCCC(=O)NCc3ccccc3CN3CCCC3)cnc12 8726746 DEWHYWARJDFUIJ-UHFFFAOYSA-N 418.541 3.397 0 40 HGAB C[C@H]1CCCC[C@@H]1NC(=O)CC[C@@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O 8764301 JCHMEGONFIBRDV-QSFXBCCZSA-N 410.518 3.106 0 40 HGAB biogenic O=C(CSc1nnc(N2CCOCC2)n1Cc1ccccc1)c1cccs1 8945018 TXXLKTXQRYCHBA-UHFFFAOYSA-N 400.529 3.200 0 40 HGAB O=C(Nc1ccc(F)cc1)[C@@H](Sc1nnnn1C[C@@H]1CCCO1)c1ccccc1 9255352 BWLWZISEVCNXRH-ROUUACIJSA-N 413.478 3.463 0 40 HGAB O=C(NCC1(N2CCCCC2)CCCCC1)c1ccc(N2CCCS2(=O)=O)cc1 9376928 JQCPHSYUSSSQRE-UHFFFAOYSA-N 419.591 3.145 0 40 HGAB O=C(CSc1nnc2c(Cl)cc(C(F)(F)F)cn12)NC(=O)NC1CCCC1 9390535 RKNXMWXNSSHYOT-UHFFFAOYSA-N 421.832 3.262 0 40 HGAB Nn1c(Cc2ccccc2F)nnc1S[C@@H](C(=O)N1CCCC1)c1ccccc1 9455505 OZXMUUIMSCLJTC-LJQANCHMSA-N 411.506 3.178 0 40 HGAB Cc1ccc(-n2nc3c(c2NC(=O)c2ccc(F)c(F)c2)CS(=O)(=O)C3)c(C)c1 9518019 WOVFREBIQGDCPC-UHFFFAOYSA-N 417.437 3.448 0 40 HGAB CC(C)[C@H](NC(=O)Cn1c(=O)cnc2ccccc21)c1ccc2c(c1)OCCCO2 9577884 HUGPTMLXFUGKIK-QHCPKHFHSA-N 407.470 3.071 0 40 HGAB COC(=O)[C@@H](CC(C)C)NC(=O)CSc1nnc(Nc2ccc(OC)cc2)s1 10138259 FCCPJFHNUQODNH-CQSZACIVSA-N 424.548 3.086 0 40 HGAB COc1ccc(N([C@H](C)C(=O)NCc2cccc(C)c2)S(C)(=O)=O)cc1Cl 10448260 LMGHRJOUBWUZDN-CQSZACIVSA-N 410.923 3.128 0 40 HGAB COc1ccc(N([C@@H](C)C(=O)N2CCCc3ccccc32)S(C)(=O)=O)cc1Cl 10449616 SDHJWSINVAYCDI-AWEZNQCLSA-N 422.934 3.483 0 40 HGAB CN(C)CCNc1nc(-c2ccncc2)nc2c1CCN(Cc1ccc(F)cc1)C2 12123258 KLZKJQXFYIPFPR-UHFFFAOYSA-N 406.509 3.210 0 40 HGAB CNC(=O)CSc1nnc(CN2CCCCC2)n1-c1ccccc1C(F)(F)F 12136665 MUOKYEFARPKFPU-UHFFFAOYSA-N 413.469 3.110 0 40 HGAB CCS(=O)(=O)N1CCCc2cc(NS(=O)(=O)c3ccc(Cl)s3)ccc21 12180496 NHZXGGXUPBPPSG-UHFFFAOYSA-N 420.965 3.305 0 40 HGAB COc1ccccc1CCC(=O)N1CCC[C@@H]([C@@H]2C[C@H](C(F)F)n3ncnc3N2)C1 12182036 NPALEUMRDBIORD-IXDOHACOSA-N 419.476 3.149 0 40 HGAB Cc1ccc(-n2ncc3c2N=C(SCC(=O)N(C)C)N2CCCN=C32)cc1Cl 12322441 MHYVRQMRBNDKEY-UHFFFAOYSA-N 416.938 3.109 0 40 HGAB Cc1cccc(NS(=O)(=O)c2ccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)c1C 12521160 FPRQSKDUOBBMFC-HZPDHXFCSA-N 402.516 3.354 0 40 HGAB O=C(Nc1ccncc1)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 12521958 DKLZALSAJUEKFA-UHFFFAOYSA-N 414.314 3.428 0 40 HGAB O=C(Nc1ccc(F)cc1Cl)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 12753453 HJWVXOKTPKGGER-AWEZNQCLSA-N 412.870 3.189 0 40 HGAB Cc1ccc(NC(=O)CS[C@@H](C)C(=O)OCc2nc3ccsc3c(=O)[nH]2)cc1 13021012 OSODSIKWJHLTIO-LBPRGKRZSA-N 417.512 3.097 0 40 HGAB O=C(NCCCN1CCCCC1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 13669208 TWTZIIHYKCDHPV-UHFFFAOYSA-N 401.532 3.093 0 40 HGAB C[C@H](C(=O)NCc1ccccc1Cl)N(c1ccc(Cl)cc1)S(C)(=O)=O 14154116 GKPBDGGQNLBKGI-GFCCVEGCSA-N 401.315 3.464 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCC[C@H]2CC(=O)Nc2ccccc2F)cc1 15391131 WGERVVLPSYHYJZ-HNNXBMFYSA-N 406.479 3.406 0 40 HGAB C[C@]12CCC(=O)N1[C@@H](C(=O)Nc1nnc(SCc3ccc(F)cc3)s1)CS2 15940777 HLVGEXCXFRWNFC-PXAZEXFGSA-N 424.548 3.362 0 40 HGAB O=c1/c(=C/c2c(F)cccc2Cl)sc2nc([C@H]3COc4ccccc4O3)nn12 16742076 BYLHFEPARZKADG-HXIRNQQJSA-N 415.833 3.004 0 40 HGAB COc1ccc(-c2csc(NC(=O)CN3CCN(c4ccc(O)cc4)CC3)n2)cc1 19357084 ONQNPDYBLQCMPZ-UHFFFAOYSA-N 424.526 3.285 0 40 HGAB Cc1ncsc1C(=O)N1CCC(Cc2nc(-c3ccsc3)cc(=O)[nH]2)CC1 19562036 LOFJJTIEIMZSSL-UHFFFAOYSA-N 400.529 3.358 0 40 HGAB CN(C)c1cc(CNC(=O)[C@H](c2ccccc2)N2CCCC2)nc(-c2cccnc2)n1 19584489 PORGKHHZKFWQLW-QFIPXVFZSA-N 416.529 3.058 0 40 HGAB Cn1c(C(=O)Nc2ccc3c(c2)N(S(C)(=O)=O)CCC3)nc2cc(Cl)ccc21 19663220 MGDYLRPLDPDEFM-UHFFFAOYSA-N 418.906 3.191 0 40 HGAB Cc1nc([C@@H]2CCCN(C3CCOCC3)C2)nc2c1CC(=O)N2Cc1ccc(F)cc1 19743898 JNOAGOXEXPKRTP-GOSISDBHSA-N 424.520 3.372 0 40 HGAB CC(C)Oc1cc(CCC(=O)N2CC[C@H](c3cc(C(N)=O)c4ccccc4n3)C2)on1 19756915 JOPAIEIGIDSUSO-HNNXBMFYSA-N 422.485 3.058 0 40 HGAB COc1ccccc1[C@H](CNC(=O)c1cc(-c2ccccc2)on1)N1CCOCC1 19796755 VLSJGTDWSOHRKO-FQEVSTJZSA-N 407.470 3.154 0 40 HGAB CCC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1cc(C)ccc1OC 20007290 ALLBFSFBJOSTQG-PKOBYXMFSA-N 418.559 3.198 0 40 HGAB CCCCc1nc2sc3c(N4CCN(CCO)CC4)ncnc3c2c2c1CCC2 20392035 XIAKGSLQAPIKIT-UHFFFAOYSA-N 411.575 3.185 0 40 HGAB CCCOc1cc(C)c2c(c1C)C[C@H]([C@H](C)C(=O)NCCN1CCOCC1)CC2 20504649 ORPHMWVSMAONSS-AZUAARDMSA-N 402.579 3.282 0 40 HGAB biogenic,in-vitro CN(Cc1ccc(OC(F)F)cc1)C(=O)Cn1nnc(-c2ccc(Cl)cc2)n1 21279352 XAOYLKGGGXNTHY-UHFFFAOYSA-N 407.808 3.254 0 40 HGAB COC(=O)C[C@H](NC(=O)[C@@H]1Cc2ccccc2S1)c1ccc(OC)c(OC)c1 21442581 JFLRITBIFAWINU-KXBFYZLASA-N 401.484 3.141 0 40 HGAB CCS(=O)(=O)N(C)c1cc(OC)c(OC)cc1C(=O)Nc1cc(C)cc(C)c1 22252631 CFUPBXGXRJLDGG-UHFFFAOYSA-N 406.504 3.359 0 40 HGAB C[C@H]1CN(Cc2csc(NC(=O)c3ccc(NC(=O)C4CC4)s3)n2)C[C@H](C)O1 22305069 IZLYCPTZYCRGRU-RYUDHWBXSA-N 420.560 3.415 0 40 HGAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)cc1C 22539450 DEFGZDNGXJDFGP-GJZGRUSLSA-N 408.495 3.077 0 40 HGAB CCc1nc2sc([C@@H](c3cccc(Br)c3)N3CCOCC3)c(O)n2n1 22854197 PDYPEMKHAYSSGH-CQSZACIVSA-N 423.336 3.243 0 40 HGAB COc1ccc(CNC(=O)Cn2cnc3c(-c4ccccc4)csc3c2=O)cc1 23126433 GJSYOJRIABSEQI-UHFFFAOYSA-N 405.479 3.450 0 40 HGAB CCN(CC)Cc1cccc(NC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)c1 24926292 CPIAYSMRANNXBJ-UHFFFAOYSA-N 401.532 3.103 0 40 HGAB COC(=O)c1ccc2[nH]c3c(c2c1)CN(C(=O)c1cc(=O)c2ccccc2o1)CC3 25452496 GEPOGDWHQIGHBA-UHFFFAOYSA-N 402.406 3.259 0 40 HGAB CCc1ccc(CN(Cc2ccco2)C(=O)COc2ccc(-n3cnnn3)cc2)cc1 27794495 ZTPFKVIODYWUNG-UHFFFAOYSA-N 417.469 3.426 0 40 HGAB O=C(NCCCN1CCc2ccccc2C1)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 29838255 MRHBRWOVQMYAAB-LJQANCHMSA-N 411.933 3.258 0 40 HGAB CCCNc1nnc(SCC(=O)Nc2nc3cc4c(cc3s2)OCCO4)s1 29890354 OIXIQLHNZPXCTQ-UHFFFAOYSA-N 423.545 3.472 0 40 HGAB Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)cc1 30546307 QCVJNNNHTCQCTC-KRWDZBQOSA-N 401.532 3.291 0 40 HGAB CC(=O)c1csc(NC(=O)[C@H]2CC(=O)N(c3ccc(Br)c(C)c3)C2)n1 32420488 UXWXZMVVGASCMW-NSHDSACASA-N 422.304 3.408 0 40 HGAB NC(=O)CCn1c(SCc2nccn2Cc2ccccc2)nnc1-c1cccs1 32778958 FNUNNQSNQRJHHI-UHFFFAOYSA-N 424.555 3.419 0 40 HGAB CC(=O)Nc1cc(NC(C)=O)cc(C(=O)Nc2cc3c(cc2Cl)OCCO3)c1 32848201 LJBOLYPSGCVUGV-UHFFFAOYSA-N 403.822 3.280 0 40 HGAB Cc1noc2nc(-c3cnn(C)c3)cc(C(=O)NCc3ccccc3-n3cccn3)c12 36619286 WQWFDUNYPHIQHM-UHFFFAOYSA-N 413.441 3.047 0 40 HGAB O=C(COC1CCCCC1)Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 40140778 ZENSQUQDAOJXFB-UHFFFAOYSA-N 400.928 3.412 0 40 HGAB CC(=O)c1cccc(NC(=O)CCCC(=O)N2CCN(c3ccc(F)cc3)CC2)c1 40287414 MNZDRBVFKYNQBX-UHFFFAOYSA-N 411.477 3.486 0 40 HGAB Cc1c(C(=O)N2CCN(C)CC2)nnc2c(-c3cccc(Cl)c3)c(C(C)C)nn12 40385110 ULFMNMGOOSEGTC-UHFFFAOYSA-N 412.925 3.264 0 40 HGAB O=C(NCc1nc(C2CC2)no1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 47345162 SDQZGQOQJKHXIO-UHFFFAOYSA-N 411.384 3.124 0 40 HGAB CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)NCc1ccoc1 47739959 RZHVUWFICIKPOE-UHFFFAOYSA-N 407.492 3.175 0 40 HGAB COC(=O)[C@H](c1ccccc1Cl)N1CCN([C@@H](C)c2nc(C3CC3)no2)CC1 48260904 PWLKKKMIEXCDJE-GUYCJALGSA-N 404.898 3.193 0 40 HGAB Cc1ccc(NC(=O)CSc2nc3[nH]ncc3c(=O)n2-c2ccccc2)cc1F 51316716 HYZFTIKETLCWOD-UHFFFAOYSA-N 409.446 3.287 0 40 HGAB Cc1ccc(C)c(-c2cc3c(=O)n(CC(=O)Nc4cc(F)ccc4C)ncn3n2)c1 51317069 IMVAITJCYCNNAW-UHFFFAOYSA-N 405.433 3.261 0 40 HGAB CCN1CCN(S(=O)(=O)c2cc(Cl)c(Br)cc2Cl)CC1 54363472 CQYIGYPTXPRACR-UHFFFAOYSA-N 402.141 3.082 0 40 HGAB O=C(Cn1c(=O)n(-c2ccccc2F)c(=O)c2sccc21)Nc1ccc(F)cc1 57490438 HHZXQMUCDBODCM-UHFFFAOYSA-N 413.405 3.131 0 40 HGAB CC(C)CCn1c(=O)c2ccccc2n(CC(=O)NCc2ccc(Cl)cc2)c1=O 57526084 GATJQYNPCFSGEO-UHFFFAOYSA-N 413.905 3.179 0 40 HGAB Cc1ccc(NC(=O)NC[C@H](C(C)C)N2CCc3ccccc3C2)cc1-n1cnnn1 58134106 DCCIOTALCKLVBY-JOCHJYFZSA-N 419.533 3.175 0 40 HGAB CCc1noc(-c2ccc(-n3cnc(C(=O)NCc4cccc(Cl)c4)c3)nc2)n1 65251082 WHMHWBHPBHIKMY-UHFFFAOYSA-N 408.849 3.463 0 40 HGAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c2c1[C@H](c1ccc(OC(C)C)cc1)CC(O)=N2 71282801 CSXLVEPSRQOPCF-WBVHZDCISA-N 403.504 3.462 0 40 HGAB O=S(=O)(C1CCCC1)N1CC[C@H](c2cc(CCOc3ccccc3F)[nH]n2)C1 72371776 JHCQQIIEVXVWIK-HNNXBMFYSA-N 407.511 3.232 0 40 HGAB O=C(NC1CCCC1)c1cc([C@H]2CCCCN2S(=O)(=O)c2ccc(F)cc2)n[nH]1 72380660 PAHBZNFMLSCMNG-LJQANCHMSA-N 420.510 3.137 0 40 HGAB COc1cccc(N2CCN(C(=O)c3cc4c(OC)ccc(OC)c4n3C)CC2)c1 72405886 SDQRMVRIXBLEQS-UHFFFAOYSA-N 409.486 3.167 0 40 HGAB O=C(Nc1ccc(N2CCSCC2)c(Cl)c1)N1CCSC[C@@H]1CCO 79110613 YDQXXYFAGGRNQX-AWEZNQCLSA-N 401.985 3.225 0 40 HGAB COc1ccc(/C=C2/SC(=O)N(CCNC(=O)c3ccc(C)o3)C2=O)cc1OC 96018685 HZMNUISGHXYUGZ-GZTJUZNOSA-N 416.455 3.072 0 40 HGAB O=C(O)c1ccc(N2C(=O)[C@@H]3[C@@H](ON(c4ccccc4)[C@H]3c3ccccc3)C2=O)cc1 101521031 GGMRDPNNDBIXGV-PCCBWWKXSA-N 414.417 3.436 0 40 HGAB COc1ccc([C@H]2[C@H]3C(=O)N(c4c(C)cc(C)cc4C)C(=O)[C@@H]3N3CCCN23)cc1 102682376 DPVCZYOJVPHRRJ-BAGYTPMASA-N 405.498 3.156 0 40 HGAB CCCCOC(=O)c1ccc([C@H]2N=c3cc(C)c(N)c(Br)c3=N2)cc1 103533892 DZOQJKOTLPTTCD-SFHVURJKSA-N 402.292 3.248 0 40 HGAB CC(=O)c1ccc(NC(=O)CCCC(=O)OCC(=O)Nc2cccc(C(C)=O)c2)cc1 138670195 STKQIMHDMHRUSM-UHFFFAOYSA-N 424.453 3.383 0 40 HGAB O=C(NCc1ccc(F)cc1)C(=O)NCc1ccc(C(=O)c2ccsc2)s1 206681367 GYLCCQZWVPLAMT-UHFFFAOYSA-N 402.472 3.112 0 40 HGAB CSc1cccc(N(CC(=O)NCCCc2ccc(F)cc2)S(C)(=O)=O)c1 220070491 PSROFECLCLNRLK-UHFFFAOYSA-N 410.536 3.063 0 40 HGAB C[C@H](C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21)N(c1ccccc1F)S(C)(=O)=O 220317230 AIVPLJCXBJUHGE-RHSMWYFYSA-N 420.506 3.399 0 40 HGAB C[C@@H](NS(=O)(=O)Cc1ccc(Br)cc1)c1ccc2c(c1)OCCO2 222695803 ZCAOXKICRRMMQR-GFCCVEGCSA-N 412.305 3.401 0 40 HGAB CS(=O)(=O)N(CC(=O)NCCCc1cccc2ccccc12)Cc1ccccc1 222763803 JTSJBPIXGDUHKL-UHFFFAOYSA-N 410.539 3.350 0 40 HGAB CCN(c1ccc(C(=O)Nc2nnc(SC(C)C)s2)cc1)S(=O)(=O)CC 223162265 LQMFQMJBCDMSOM-UHFFFAOYSA-N 414.578 3.467 0 40 HGAB COc1ccc([C@H](CC(C)C)NC(=O)CN(C)S(=O)(=O)c2ccccc2)cc1 223164928 YEMPXTMNZUAYRQ-FQEVSTJZSA-N 404.532 3.219 0 40 HGAB COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)Nc1cc(Cl)ccc1C 223206993 IPYWAZHXZVSDDE-UHFFFAOYSA-N 410.923 3.479 0 40 HGAB CCC(=O)N1CCc2cc(S(=O)(=O)Nc3cc(C(=O)OC)ccc3Cl)ccc21 223430694 ABIYKTAKBLWBAA-UHFFFAOYSA-N 422.890 3.227 0 40 HGAB Cc1c(C(=O)NCCOc2cccc3ccccc23)cccc1N(C)S(C)(=O)=O 223568607 RDZXNBBOZOACEA-UHFFFAOYSA-N 412.511 3.353 0 40 HGAB CC(C)c1ccccc1OCCNC(=O)[C@@H](C)N(c1ccc(F)cc1)S(C)(=O)=O 223769871 QWIMVRHTDVRARB-MRXNPFEDSA-N 422.522 3.299 0 40 HGAB CCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)COc1cc(OC)cc(OC)c1 224124139 INYVYEMXNLJCHL-OAQYLSRUSA-N 414.502 3.026 0 40 HGAB COC(=O)CN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccc(OC)c(OC)c1 224804742 AQEBHXMSRPVYQN-UHFFFAOYSA-N 413.879 3.034 0 40 HGAB C[C@H](C(=O)Nc1ccc(N2CCCCC2)cc1)N(c1ccccc1)S(C)(=O)=O 224948027 GXJBURNHHILGAI-QGZVFWFLSA-N 401.532 3.470 0 40 HGAB COC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC)c(Cl)c1 224950521 XAJVDEXIOPFVSA-UHFFFAOYSA-N 404.271 3.370 0 40 HGAB O=C1[C@@H]2C[C@@H](CN2C(=O)Cc2ccccc2)Oc2ccccc2N1Cc1ccccn1 225478876 LMZVHBPKHKPBQA-UNMCSNQZSA-N 413.477 3.219 0 40 HGAB biogenic,in-vitro O=C(CSc1ccc(F)cc1)N1CCc2nc3ccc(Cl)cn3c(=O)c2C1 225779659 VWXRFHLUCFPDDI-UHFFFAOYSA-N 403.866 3.164 0 40 HGAB CCN(CC)CCCNC(=O)[C@H]1C[C@H]2CC[C@@]1(C)C[C@]21NC(=O)c2ccccc2O1 253596723 VIWJNFNGKJEOIV-DLQDVTGGSA-N 413.562 3.180 0 40 HGAB COc1cccc(Cc2cnc([C@H]3CCCN(C(=O)COc4cccnc4)C3)o2)c1 257250103 JLAYFNRZWCLZOT-SFHVURJKSA-N 407.470 3.454 0 40 HGAB CC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3N(C(=O)c1cccnn1)[C@H]2Cc1ccccc1 257254801 KESZMDFCRGCGDR-CHSSDKTLSA-N 404.514 3.092 0 40 HGAB C[C@H](Oc1cccc(F)c1)C(=O)N1CCC(c2cncc(Nc3ncccn3)n2)CC1 257301565 RYZOCRWUCBAJMS-HNNXBMFYSA-N 422.464 3.323 0 40 HGAB CC(C)CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)NCc2ccc(Cl)cc2)cc1 408598333 ZEBGYUFCDZANJQ-OAHLLOKOSA-N 424.950 3.358 0 40 HGAB Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CCCC3)cc2)cc1Cl 408604316 LYGFBZXEOSVPOS-UHFFFAOYSA-N 408.907 3.450 0 40 HGAB CCOCCCNC(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccccc1 409120966 XDBFJCCPFKOBEW-UHFFFAOYSA-N 424.950 3.387 0 40 HGAB O=C1C[C@H](C(=O)N2CCCC3=C[C@@H]4C[C@@H](CN5CCCC[C@H]45)[C@H]32)CN1Cc1ccco1 409415191 WJXXWLHUWHORMV-JHZIQSPXSA-N 423.557 3.050 0 40 HGAB Nc1nsc(N2CCN(C(=O)c3cccc(F)c3Sc3ccccc3)CC2)n1 512187041 YKMUEXYGQYTYJG-UHFFFAOYSA-N 415.519 3.373 0 40 HGAB COC(=O)c1cn([C@H](CC(=O)O)c2ccc(Cl)cc2Cl)cc2c(O)nnc1-2 524732480 HYCRMXCQLQSPDB-CYBMUJFWSA-N 410.213 3.246 0 40 HGAB COCc1cc(Cl)cc(S(=O)(=O)N2CCC[C@H](c3nncn3C(C)C)C2)c1 558466838 MDIDDHNOFHWWGQ-HNNXBMFYSA-N 412.943 3.227 0 40 HGAB Cc1cc(C)nc(Nc2cc([C@H]3CCCN(C(=O)/C=C/c4ccnn4C)C3)ccn2)n1 585292835 SRCNAQFHAXJCAQ-GHOSXJJBSA-N 417.517 3.385 0 40 HGAB Cc1nc(N)cc([C@]2(C)CCCN(Cc3ccccc3OCCN3CCCC3)C2)n1 1848355929 UTXCCUXDXBRPRU-XMMPIXPASA-N 409.578 3.396 0 40 HGAB CC[C@H](OC(=O)[C@H]1CC(=O)N(c2ccc(C(=O)OC)cc2)C1)C(=O)c1ccccc1 993340 OPMHVQVXTJAXTB-HKUYNNGSSA-N 409.438 3.031 0 40 HGAB CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)/C=C/c1cnc2ccccc2n1 2617260 MCUZXQRFBRIURZ-MDZDMXLPSA-N 407.426 3.191 0 40 HGAB CCN(CC(=O)NCc1ccc(F)cc1)C[C@@H](O)COc1ccccc1C(C)C 2641610 AWEZXIWWULFRIG-HXUWFJFHSA-N 402.510 3.327 0 40 HGAB COc1ccccc1C(=O)Nc1c2c(nn1-c1cccc(Cl)c1)CS(=O)(=O)C2 3008803 KGIJPHQTGQOZQA-UHFFFAOYSA-N 417.874 3.215 0 40 HGAB O=C(NCc1ccc(F)cc1)C(=O)c1cn(CC(=O)N2CCCCC2)c2ccccc12 3015349 FZYDZZIDTHRQTJ-UHFFFAOYSA-N 421.472 3.292 0 40 HGAB O=C(CSc1nnnn1-c1ccccc1)Nc1nc2c(F)c(F)c(F)cc2s1 3272725 ULXLKTOKOKGVJB-UHFFFAOYSA-N 422.417 3.420 0 40 HGAB O=Cc1ccccc1OCC(=O)OCC(=O)NC(c1ccccc1)c1ccccc1 3280854 VUGYPUITAYFUFG-UHFFFAOYSA-N 403.434 3.327 0 40 HGAB O=C(NCc1ccccc1F)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccccc1 3366919 CUQXCEIKOMRIJX-JOCHJYFZSA-N 424.497 3.258 0 40 HGAB O=C1CN(C(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)c2ccccc2N1 3533665 WGTDGDGQNIMVAS-UHFFFAOYSA-N 400.847 3.467 0 40 HGAB COCCCn1c(SCC(=O)Nc2ccc(OC)cc2)nc2ccccc2c1=O 4160901 DBHZICDVNMHCDN-UHFFFAOYSA-N 413.499 3.172 0 40 HGAB CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3c(C)cc(C)cc3C)CC2)cc1 4372108 PMRXDEHRPWJCPH-UHFFFAOYSA-N 401.532 3.081 0 40 HGAB CCCCOC(=O)c1ccc(NC(=O)CN2C(=O)NC3(CCCCCC3)C2=O)cc1 4469437 WRIMJOMFWMEQAE-UHFFFAOYSA-N 415.490 3.227 0 40 HGAB CCc1ccc(CN(C(=O)COc2ccccc2C)[C@@H]2CCS(=O)(=O)C2)cc1 5046747 FZCVUUIAXSITAY-HXUWFJFHSA-N 401.528 3.152 0 40 HGAB COC(=O)[C@H](C)Sc1nc2sc3c(c2c(=O)n1C[C@@H]1CCCO1)CC[C@@H](C)C3 5878311 HJAHSQHWWXTQHU-AGIUHOORSA-N 422.572 3.415 0 40 HGAB COc1cc(C(=O)Nc2sccc2C(N)=O)ccc1OCc1c(C)noc1C 6588901 NNFPXQTXEDMGCA-UHFFFAOYSA-N 401.444 3.292 0 40 HGAB Cc1cc(C)c(S(=O)(=O)N(CC(=O)NC[C@@H]2CCCO2)C2CCCCC2)c(C)c1 6607140 CZKFLSIVHMIANK-FQEVSTJZSA-N 422.591 3.230 0 40 HGAB CC1CCN(S(=O)(=O)c2csc(C(=O)Oc3ccc4c(c3)OCO4)c2)CC1 6680697 TYUYYVJCTITXGB-UHFFFAOYSA-N 409.485 3.117 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CCc1ccccc1 6897478 HHKDRWDWTKIUNN-UHFFFAOYSA-N 402.516 3.441 0 40 HGAB Cc1ccc(Cn2nc(C)c(C(=O)Nc3ccc(C)c(S(N)(=O)=O)c3)c2C)cc1 8123779 BLJXPVATOWRMQZ-UHFFFAOYSA-N 412.515 3.065 0 40 HGAB C[C@H]1CCCC[C@]12NC(=O)N(Cc1cc3c(cc1Br)OCCO3)C2=O 8132873 BSZRBOZVBCXCIU-VOJFVSQTSA-N 409.280 3.221 0 40 HGAB C[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)c1ccc(F)cc1 8303266 MZTMSWOFHKNOKR-ZBFHGGJFSA-N 408.470 3.243 0 40 HGAB COc1ccc(C(=O)N[C@H]2CCSc3ccccc32)cc1S(=O)(=O)NC1CC1 8429845 DELXPAPJQPIRHR-INIZCTEOSA-N 418.540 3.103 0 40 HGAB Cc1ccc(S(=O)(=O)[C@@H](CNC(=O)c2ccc3c(c2)OCO3)c2cccnc2)cc1 8717998 USNOTLCGWNMDHJ-NRFANRHFSA-N 424.478 3.064 0 40 HGAB COc1ccc(NC(=O)NC[C@@H]2CC(=O)N(Cc3ccc(F)cc3)C2)c(OC)c1 9066862 BSNQDMCVDAKPIC-HNNXBMFYSA-N 401.438 3.013 0 40 HGAB C[C@H](OC(=O)c1ccccc1NCCO)C(=O)Nc1nc(-c2ccccc2)cs1 9162661 PJIHTJRCMUTQOL-AWEZNQCLSA-N 411.483 3.398 0 40 HGAB C/C(=C\c1ccccc1)C(=O)Nc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 9426417 DRLCOVALMWDOCS-IDCODDLRSA-N 400.500 3.186 0 40 HGAB Cn1nc(C(=O)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)c2ccccc2c1=O 9632177 GUFMVVZZDGMJFM-UHFFFAOYSA-N 420.450 3.081 0 40 HGAB O=C(c1cnn(Cc2ccccc2)c1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 10024571 LYEJFPKKWMQOMX-UHFFFAOYSA-N 401.470 3.052 0 40 HGAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2ccc(CN3CCCCC3)cc2)c1 10329600 USYOFIYGLPWNDR-UHFFFAOYSA-N 410.470 3.498 0 40 HGAB Cc1cc(NC(=O)CSc2nnc(NC(=O)Nc3ccc(F)cc3)s2)no1 11026049 AGXILAXBHFSRTJ-UHFFFAOYSA-N 408.440 3.348 0 40 HGAB O=C(N[C@@H](c1ccccc1)C1CC1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 11213723 CCJHWWJEBZZMCE-NRFANRHFSA-N 416.518 3.494 0 40 HGAB COC(=O)C1CCN(C(=O)COC(=O)c2cc(-c3ccco3)nc3ccccc23)CC1 11398262 MBBFMBZGCIBUFE-UHFFFAOYSA-N 422.437 3.063 0 40 HGAB O=C(NCCOc1ccc2nnc(-c3ccccc3Cl)n2n1)NCc1ccccc1 11694596 BHPIPRGIFMVIPL-UHFFFAOYSA-N 422.876 3.323 0 40 HGAB CCN(CC)CCNC(=O)c1c(-c2ccccc2)c(-c2ccccc2)nn(C)c1=O 12016334 OABDSJCJMAYTQC-UHFFFAOYSA-N 404.514 3.186 0 40 HGAB Cc1ccc2nc(C)c(NC(=O)c3ccccc3I)c(=O)n2c1 12180794 OMVCWHUFOJXUTB-UHFFFAOYSA-N 419.222 3.168 0 40 HGAB COc1ccc(OCC(=O)N2CCC[C@H](c3nc(O)cc(-c4ccccn4)n3)C2)cc1 12256828 MRHYOELOXWMZGD-INIZCTEOSA-N 420.469 3.038 0 40 HGAB COC(=O)c1ccc(CN2CCc3nc4cc(-c5ccoc5C)nn4c(O)c3C2)cc1 12667142 BCAZQRBILROASC-UHFFFAOYSA-N 418.453 3.348 0 40 HGAB CCCc1ccc([C@]2(C)NC(=O)N(CC(=O)N[C@H](C)c3ccccc3OC)C2=O)cc1 12758977 RCHMUZLNWJUEEM-GYCJOSAFSA-N 423.513 3.292 0 40 HGAB Cc1ccc(O[C@H](C)C(=O)N(Cc2nc3ccccc3c(=O)[nH]2)C[C@@H]2CCCO2)cc1 12778267 BFZKUAXDMAZPDA-MJGOQNOKSA-N 421.497 3.207 0 40 HGAB Cc1cc(N2CCN(CC(=O)Nc3ccc(Cl)cc3F)CC2)nc(C(C)C)n1 12807552 HZYCRDHVDANJFU-UHFFFAOYSA-N 405.905 3.462 0 40 HGAB O=C1C[C@H](C(=O)NC2CCN(C(=O)Nc3ccccc3)CC2)c2ccc(F)cc2N1 12812151 MTMDSSFIOOKUAP-SFHVURJKSA-N 410.449 3.064 0 40 HGAB CCOC(=O)C1=C(CN(C)Cc2ccsc2)NC(=O)N[C@H]1c1ccc(OC)cc1 12914884 VNAHQAOYRVMDHO-IBGZPJMESA-N 415.515 3.060 0 40 HGAB Cc1ccc(C)c(-n2c(SCCN3C(=O)CCC3=O)nc3ccccc3c2=O)c1 12915553 LBZIOENTISKQEM-UHFFFAOYSA-N 407.495 3.244 0 40 HGAB Cc1c(Cl)cccc1NC(=O)CNC(=O)[C@H]1CCCN(C(=O)c2cccs2)C1 12981540 QEVDMXKSMPVVQQ-AWEZNQCLSA-N 419.934 3.317 0 40 HGAB COc1cccc([C@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)NC[C@@H]4CCCO4)c3N2)c1 13124059 URNPSFADKPRTEG-USXIJHARSA-N 424.423 3.461 0 40 HGAB CS(=O)(=O)N(Cc1ccccc1F)c1ccc(C(=O)NCc2ccco2)cc1 13682891 DZWWNUDPJBICGK-UHFFFAOYSA-N 402.447 3.315 0 40 HGAB C[C@@H](Oc1cccc2ccccc12)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 15332360 CYNMQXIWFJINFU-GOSISDBHSA-N 424.522 3.140 0 40 HGAB COc1cccc(CNC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)c1 16600785 GUFHZIQXBOHQJG-UHFFFAOYSA-N 410.495 3.104 0 40 HGAB COc1ccc(OC)c([C@H]2CCCN2S(=O)(=O)c2cccc3nsnc23)c1 19078952 ZFRMTIFNUYKAAC-OAHLLOKOSA-N 405.501 3.234 0 40 HGAB COc1ccc(N2C[C@H](C(=O)N3CCC[C@@H]3c3ccc(OC)c(OC)c3)CC2=O)cc1 19556314 KADQEFYOVGACOQ-YLJYHZDGSA-N 424.497 3.429 0 40 HGAB C[C@H](NC(=O)[C@H]1OCCc2ccccc21)c1nc2cc(-c3ccccc3F)ncn2n1 19574509 VITPLCLMUYNIKB-QKKBWIMNSA-N 417.444 3.422 0 40 HGAB COc1ccc(OC)c(Cc2ccc([C@@H]3CN(Cc4cn(C)nc4C)CCO3)nc2)c1 19692630 LWYMDTXYQHBTDP-DEOSSOPVSA-N 422.529 3.305 0 40 HGAB CCOC(=O)[C@@](NC(=O)c1ccc(OC)cc1)(Nc1ncccc1C)C(F)(F)F 19938724 NGSKFKOAXUDVKO-SFHVURJKSA-N 411.380 3.062 0 40 HGAB biogenic COc1ccc([C@H](C)NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2C)cc1 20050422 WJXAMBBRNRWVLB-INIZCTEOSA-N 402.516 3.279 0 40 HGAB Cc1ccc(C(=O)N/C(=C\c2cn(C)c3ccccc23)C(=O)N2CCN(C)CC2)cc1 20130192 HVRDVCOGGAADRA-JWGURIENSA-N 416.525 3.032 0 40 HGAB CC[C@H](NC(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O)c1ccc(C)cc1 20487836 UXIYXAQMQJEXAY-FQEVSTJZSA-N 402.516 3.231 0 40 HGAB CCOc1cc(CNC[C@H](O)c2ccccc2)ccc1OCC(=O)NC(C)(C)C 22075874 YRCQFIOBBCHSLW-IBGZPJMESA-N 400.519 3.202 0 40 HGAB Cc1ccc(CN2CCN(C(=O)[C@H](C)n3cc(Br)c(C)n3)CC2)cc1 22418593 JJVBUJQSGWNKHF-INIZCTEOSA-N 405.340 3.168 0 40 HGAB Cc1ccc(Nc2nc(N)nc(CN3CCN(Cc4ccccc4)CC3)n2)c(C)c1 22783211 RABVEOSLMQGFAO-UHFFFAOYSA-N 403.534 3.132 0 40 HGAB O=C(NC[C@@H](c1ccco1)N1CCc2ccccc2C1)C(=O)NC1CCCCCC1 22907346 KVUPNBWEKROUNH-NRFANRHFSA-N 409.530 3.334 0 40 HGAB CCOc1cc2c(cc1NC(=O)[C@H]1CC(=O)N(c3ccc4c(c3)OCO4)C1)O[C@@H](C)C2 24772859 VBBKYVIYNAUEMH-ZFWWWQNUSA-N 424.453 3.129 0 40 HGAB O=C(Nc1cccc(-c2ccn[nH]2)c1)c1sccc1S(=O)(=O)N1CCCC1 24890329 KGVGRPZLQPAMSK-UHFFFAOYSA-N 402.501 3.175 0 40 HGAB COc1ccc(-c2nc(CC(=O)Nc3ccc4c(c3)C(=O)N(C)C4=O)cs2)cc1 25319989 DOCJDQWULDFRCF-UHFFFAOYSA-N 407.451 3.226 0 40 HGAB COc1ccc(C2=NN(C(=O)COc3ccccc3C)[C@](O)(C(F)(F)F)C2)cc1 27570368 VKHRQGFZHCYYHW-LJQANCHMSA-N 408.376 3.270 0 40 HGAB CN(C)[C@@H](CNC(=O)c1occc1CS(=O)(=O)c1ccccc1)c1cccs1 27678784 SDYHRISJBFOKGU-KRWDZBQOSA-N 418.540 3.348 0 40 HGAB CCOc1ccc(CC(=O)N[C@H](c2cc(OC)cc(OC)c2)c2nccn2C)cc1 29130088 QHIJEXZLFDTCDF-JOCHJYFZSA-N 409.486 3.284 0 40 HGAB CC(C)(C)OC(=O)N1CCN(C(=O)COc2ccc(F)cc2Br)CC1 31596288 LHMXUMVRCXJSNX-UHFFFAOYSA-N 417.275 3.046 0 40 HGAB CC(C)(C)OC(=O)NCc1ccc(C(=O)NCCc2nnc3n2CCCCC3)cc1 32907433 BAWIYSMTYYPBFK-UHFFFAOYSA-N 413.522 3.002 0 40 HGAB O=C1CN(c2ccc(NC(=O)c3ccc(Br)cc3)cc2Cl)CCN1 32915399 ZAOMDXXPLVVIQE-UHFFFAOYSA-N 408.683 3.291 0 40 HGAB C[C@@H]1CCN(C(=O)C2=CC(c3ccc(F)cc3)=NS(=O)(=O)N2C)[C@@H]2CCCC[C@H]12 35312632 KVPSFZYRUKXTRM-LSBZLQRGSA-N 419.522 3.116 0 40 HGAB Cc1nc(N)n2c(SCC(=O)N3CCCC[C@H]3C)nnc2c1Cc1ccccc1 35315348 FFEJSINXAYYFIE-CQSZACIVSA-N 410.547 3.099 0 40 HGAB O=C1C[C@@H](c2cc(Br)ccc2OCc2ccccc2F)N2N=CNC2=N1 38208008 JERHTQZDKBPMTG-HNNXBMFYSA-N 417.238 3.343 0 40 HGAB COc1ccc([C@H](CC(=O)NCc2ccc(N3CCCCCC3)nc2)NC(C)=O)cc1 40122076 BMIROQDUQZCVPE-QFIPXVFZSA-N 424.545 3.354 0 40 HGAB Cn1ccnc1COc1ccc(C(=O)N2CCC(c3nnc4ccccn34)CC2)cc1 40145105 ULZBASPJPZNAES-UHFFFAOYSA-N 416.485 3.062 0 40 HGAB Cc1cc(-n2c(=O)c3sccc3n(CC(=O)Nc3ccccc3)c2=O)ccc1F 57494473 BTTKMHJLWOPZDN-UHFFFAOYSA-N 409.442 3.300 0 40 HGAB CCn1c(CN[C@@H](C)c2ccc(F)c(F)c2)nc2cc(S(=O)(=O)N(C)C)ccc21 58170507 VNINISDJEULANV-ZDUSSCGKSA-N 422.501 3.436 0 40 HGAB Cc1cc(CN2CCOCC2)oc1C(=O)NC1(c2ccc3c(c2)OCO3)CCCC1 72346539 ZSJPSPLWVIVSMZ-UHFFFAOYSA-N 412.486 3.348 0 40 HGAB O=C([C@@H]1CCCO1)N1CCC[C@H](c2nc(N3CCCC3)ncc2-c2cccnc2)C1 72347993 MFLQWYOOOHOELX-ICSRJNTNSA-N 407.518 3.024 0 40 HGAB CCOc1cc(CN2CCC[C@@H](c3cc(=O)[nH]c(-c4ccncc4)n3)C2)ccc1O 72392945 ATJBMIPKVIMFNR-GOSISDBHSA-N 406.486 3.316 0 40 HGAB O=c1cc([C@@H]2CCCN(Cc3coc4ccccc4c3=O)C2)nc(-c2ccccn2)[nH]1 72393247 NBNIMQRKLUVYLV-MRXNPFEDSA-N 414.465 3.318 0 40 HGAB O=C(CNC(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1)Nc1cccc(O)c1 72400785 JWRRXHXAALYFSQ-UHFFFAOYSA-N 423.300 3.169 0 40 HGAB CCC(CC)(C(=O)N1CCC(C(=O)NCCN(C)C)CC1)c1ccc(Cl)cc1 78733096 BKLZCTNIRKCYSA-UHFFFAOYSA-N 407.986 3.314 0 40 HGAB O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)Nc1cc(Cl)ccc1NC1CC1 78968569 CVPFPNIYTQGBCZ-QFIPXVFZSA-N 424.888 3.246 0 40 HGAB Cc1c(C)c2ccc(O[C@H](C)C(=O)NC[C@H]3CC[C@H](C(=O)O)CC3)c(C)c2oc1=O 100767311 WLYWCBGRFRSDSW-ZACQAIPSSA-N 415.486 3.493 0 40 HGAB CCOC(=O)Cn1/c(=N/C(=O)c2ccc(F)cc2)sc2cc(NC(C)=O)ccc21 100877730 SQKRGNSWNWOLSK-ATJXCDBQSA-N 415.446 3.105 0 40 HGAB C[C@@H]1C[C@@H](C)CN(CCCNC(=O)c2cccc(I)c2)C1 107681320 SNZAIHDSIFDCCD-ZIAGYGMSSA-N 400.304 3.389 0 40 HGAB CCOc1ccccc1N(CCCC(=O)Nc1cccc(OC)c1)S(C)(=O)=O 113961711 LWHFRFPZJYRPFO-UHFFFAOYSA-N 406.504 3.279 0 40 HGAB CCOc1cccc(CNC(=O)[C@@H](CC)N(c2cccc(C)c2)S(C)(=O)=O)c1 220520345 QZJSAKBALJBJCN-HXUWFJFHSA-N 404.532 3.255 0 40 HGAB COCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(CCOC)c1C 223050221 SWOZOFZSXNPHOX-VQTJNVASSA-N 402.564 3.155 0 40 HGAB CC(C)CNC(=O)CSc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1 223398662 BNWPWOWFEJZBPZ-UHFFFAOYSA-N 406.573 3.372 0 40 HGAB CCCCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)OC)c1 223802437 RXLWBFVMXRFTAD-UHFFFAOYSA-N 404.488 3.112 0 40 HGAB Cc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2ccc(N(C)S(C)(=O)=O)cc2)c(C)c1 225039676 KALJPAKGUZGYFO-DLBZAZTESA-N 404.532 3.344 0 40 HGAB COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NCCOc2ccccc2)cc1 225105949 WUDZRLQPGZNIHQ-PGMHBOJBSA-N 406.438 3.254 0 40 HGAB CCOC(=O)c1cc(NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)ccc1Cl 225421351 NZKZGLYISVXKEW-UHFFFAOYSA-N 410.879 3.019 0 40 HGAB COc1ccc(CNC(=O)NC[C@@](O)(c2ccco2)c2cccs2)cc1OC 238966146 YYSRTBXSCFCXAT-HXUWFJFHSA-N 402.472 3.094 0 40 HGAB Cc1cc(-c2ccc(N)nc2)cc([C@H]2CN(C(=O)COc3ccc(F)cc3)CCO2)n1 257205781 BANNWTUBJLIXGU-OAQYLSRUSA-N 422.460 3.152 0 40 HGAB COc1ccc(C)cc1NC(=O)CN1CC[C@@]2(CCCN2Cc2ccccc2)[C@@H](O)C1 257314532 UXKKIHCRCKNMOQ-ZCYQVOJMSA-N 423.557 3.044 0 40 HGAB CC(C(=O)N1CCC[C@@](C(N)=O)(c2ccccn2)C1)(c1ccccc1)c1ccccc1 257337947 YVCRLVUVWCFMDB-SANMLTNESA-N 413.521 3.433 0 40 HGAB COc1cc2c(cc1CN1CCO[C@H](c3cncc(Nc4ncccn4)n3)C1)CCC2 257343896 ZUULMRJQUVRHAF-NRFANRHFSA-N 418.501 3.081 0 40 HGAB C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1ccccc1C(=O)NCCc1ccccc1 408710151 QGANTHPKOKCPIK-XLIONFOSSA-N 407.514 3.293 0 40 HGAB COc1ccc([C@@H]2[C@@H](NC(=O)c3ccc(C)cc3)C(=O)N/[N+]2=C\c2ccccc2)cc1 409060444 VEUWPXRMHZBIRG-WFZBXURCSA-O 414.485 3.020 0 40 HGAB CCOc1cc(CO)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1 409118303 OVOORVHSOMSBHH-UHFFFAOYSA-N 401.278 3.416 0 40 HGAB CCCN1C(=O)N/C(=C/c2cccc(OC)c2OCc2cccc(C(=O)O)c2)C1=O 409239054 FYTAJPDGUDBXOW-SFQUDFHCSA-N 410.426 3.275 0 40 HGAB O=C(Cn1ncc2ccccc2c1=O)N[C@H](c1c[nH]c2ccccc12)C(F)(F)F 553162315 OLIQTBUGMGBIEO-GOSISDBHSA-N 400.360 3.298 0 40 HGAB CN(Cc1cccc(OCCN2CCCCC2)c1)C[C@@]1(O)CCN(c2ccccn2)C1 585270667 AMIDBHGUPAPOKG-VWLOTQADSA-N 424.589 3.020 0 40 HGAB Cc1nc([C@H]2CCCN2C(=O)[C@@H]2CCCN(c3ncccc3C(F)(F)F)C2)no1 608175495 QWQDOCCSWCHBHO-UKRRQHHQSA-N 409.412 3.372 0 40 HGAB Cc1c(Cl)cccc1N(CC(=O)NC[C@H]1CCCO1)S(=O)(=O)c1ccccc1 656414 BICUKOJAVOBHGI-MRXNPFEDSA-N 422.934 3.139 0 40 HGAB C[C@](O)(CS(=O)(=O)Cc1ccccc1)C(=O)Nc1ccc(Cl)cc1Cl 1388664 JFRLJFSARJMTRB-KRWDZBQOSA-N 402.299 3.298 0 40 HGAB CC(=O)c1c(C)[nH]c(C(=O)COC(=O)[C@@]23CCC(=O)N2c2ccccc2S3)c1C 3567901 GXRMOTJTSZQNGV-NRFANRHFSA-N 412.467 3.189 0 40 HGAB Cc1ccc(C)c(CSc2nnc(Cc3cc(=O)[nH]c(=O)[nH]3)n2-c2ccccc2)c1 4061339 INOBZCFNDLGEHM-UHFFFAOYSA-N 419.510 3.144 0 40 HGAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)C[C@@H]1CCS(=O)(=O)C1 4392513 BOXAYXSWAXPHQN-ZDUSSCGKSA-N 407.513 3.355 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(C)cc3)CC2)cc1C 4503697 KAJCQHIUDOILHD-UHFFFAOYSA-N 402.516 3.351 0 40 HGAB COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)OCC(=O)C(C)(C)C)cc1 4818385 FNOMQINASWCTFH-UHFFFAOYSA-N 405.472 3.268 0 40 HGAB O=C(COC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)Nc1cc(Cl)ccc1Cl 5240810 FPNYXHADKASCCG-LLVKDONJSA-N 411.241 3.117 0 40 HGAB COc1ccc(OC)c2sc(N3CCN(C(=O)Cc4ccc(F)cc4)CC3)nc12 5268551 WRLZEGAOJZONTR-UHFFFAOYSA-N 415.490 3.344 0 40 HGAB COCCCn1c(C(=O)NCc2ccc(F)cc2)cc2c(=O)n3cccc(C)c3nc21 5306528 GIVXDGOZYWQCEC-UHFFFAOYSA-N 422.460 3.063 0 40 HGAB O=C(COc1ccc(Cl)cc1Br)NC[C@H]1COc2ccccc2O1 5631032 OZDFNJSPIOBBNJ-LBPRGKRZSA-N 412.667 3.438 0 40 HGAB COC[C@H](C)n1c(SCC(=O)N[C@@H]2CCCC[C@@H]2C)nc2ccccc2c1=O 5786631 CJKNTCGCIDLXNM-YQQAZPJKSA-N 403.548 3.391 0 40 HGAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)Sc1nc(C)c(C)c(C)n1 5972860 LYRSWYPTIOKILG-OAHLLOKOSA-N 422.576 3.080 0 40 HGAB C[C@H](NC(=O)c1ccccc1NC(=O)COc1ccc(C(N)=O)cc1)c1ccccc1 6127102 GESIWZBBKKIUEN-INIZCTEOSA-N 417.465 3.294 0 40 HGAB COCCN1C(=O)c2[nH]nc(-c3cc(C)ccc3O)c2[C@@H]1c1ccc(OC)c(OC)c1 6753216 WYEBHHKPMMKLLT-QFIPXVFZSA-N 423.469 3.300 0 40 HGAB CCOc1ccc(NC(=S)N(Cc2ccccc2)[C@@H]2CCS(=O)(=O)C2)cc1 7735980 DOXNNZQEUHEHPD-GOSISDBHSA-N 404.557 3.471 0 40 HGAB CCOc1ccccc1NC(=O)COC(=O)[C@H]1CC(=O)N(c2ccc(C)c(C)c2)C1 8039015 PIYPLHPTLAIDKI-KRWDZBQOSA-N 410.470 3.237 0 40 HGAB COc1ccccc1CNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 8115872 ZMFSBVZLHWZFEB-UHFFFAOYSA-N 410.495 3.104 0 40 HGAB C[C@@H]1CCN(C(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)c2ccccc2S1 8323829 JFMQNZIPUIOUMW-IQMFZBJNSA-N 421.522 3.297 0 40 HGAB COc1cccc(CNC(=O)C2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)c1 8379151 QWKWSAFIMNCOJR-NTCAYCPXSA-N 414.527 3.024 0 40 HGAB O=C(Nc1ccc(S(=O)(=O)NCc2ccccn2)cc1F)c1ccc(F)cc1 8810811 LSFVZNSVEFJEJR-UHFFFAOYSA-N 403.410 3.091 0 40 HGAB CSc1nc(NC(C)C)c2cnn(CCNC(=O)c3ccc(F)c(F)c3)c2n1 8941474 QLLVBQPWTJAMMI-UHFFFAOYSA-N 406.462 3.077 0 40 HGAB CCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccccc2C(=O)OCC)C1=O 8945863 CBAOGRLXMNEUAT-HSZRJFAPSA-N 423.469 3.049 0 40 HGAB COc1cc(C)c(C)cc1S(=O)(=O)Nc1ccc2c(c1)NC(=O)C(C)(C)CO2 9173509 VSHOHKQUXONAHE-UHFFFAOYSA-N 404.488 3.470 0 40 HGAB CCC(=O)N1CCc2cc([C@H](O)CN3CCC(O)(c4ccc(C)cc4)CC3)ccc21 12181116 LYYNOWRTTGYYLJ-HSZRJFAPSA-N 408.542 3.311 0 40 HGAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N3C[C@H](C)O[C@H](C)C3)c2)cc1F 12521448 YQEJCNFUADWKFE-GASCZTMLSA-N 406.479 3.184 0 40 HGAB CCOc1ccc(NS(=O)(=O)c2ccc3c(c2)CCCN3C(C)=O)cc1OC 12557067 PHTSKYYXRGLFBO-UHFFFAOYSA-N 404.488 3.194 0 40 HGAB CC(C)[C@@H](CNC(=O)c1ccc(NC(=O)c2cccs2)cc1)N1CCOCC1 12740309 SYARRQYYAXJCLM-GOSISDBHSA-N 401.532 3.087 0 40 HGAB O=c1c(-c2ccccc2)[n+]([O-])c2ccccc2n1C[C@H](O)COc1ccc(Cl)cc1 12916071 KPGCZIRRYJCLTG-SFHVURJKSA-N 422.868 3.395 0 40 HGAB O=C(C[C@@H]1SC(N2CCCC2)=NC1=O)Nc1ccc(C(=O)Nc2ccccc2)cc1 12921635 ZZMLOIGHCNOQKS-SFHVURJKSA-N 422.510 3.361 0 40 HGAB CCc1nnc(NC(=O)[C@H]2CC(=O)N(c3ccc(Br)cc3C)C2)s1 12952608 KJLYSEPSWAWBHH-JTQLQIEISA-N 409.309 3.163 0 40 HGAB COc1ccc(NC(=O)CSCC(=O)N(C)Cc2cccc(OC)c2OC)cc1 12982435 OTVHZKOFPZQHOR-UHFFFAOYSA-N 418.515 3.043 0 40 HGAB Cn1c(=O)c2c(-c3ccccc3)n3c(c2n(C)c1=O)[C@H](c1ccc(Cl)cc1)OCC3 13573582 BHVYEJXGRYYXIR-NRFANRHFSA-N 421.884 3.479 0 40 HGAB COc1ccc(-c2cc(NC(=O)c3ccccc3)n([C@@H]3CCS(=O)(=O)C3)n2)cc1 13736550 WTVVSAFEVXKEFD-QGZVFWFLSA-N 411.483 3.171 0 40 HGAB COc1ccc(-c2ccc(=O)n(CCCNC(=O)c3ccc4ccccc4n3)n2)cc1 13796209 OZIHPEQFBDNPEV-UHFFFAOYSA-N 414.465 3.287 0 40 HGAB COc1ccc([C@H](CNC(=O)c2cccc(CN3CCCC3=O)c2)N2CCCC2)cc1 14138967 FYIMCJWQARAJPF-QHCPKHFHSA-N 421.541 3.385 0 40 HGAB COc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1S(=O)(=O)N(C)C 14429939 YNBMIRSEMXCGOP-UHFFFAOYSA-N 402.394 3.217 0 40 HGAB CCC(=O)Nc1nnc(SCc2cc(=O)c(OC(=O)c3ccccc3)co2)s1 16047754 XOUUAZHJRYGSOH-UHFFFAOYSA-N 417.468 3.351 0 40 HGAB Cc1ccc2nc(COC(=O)Cc3cc(Cl)c4c(c3)OCCCO4)cc(=O)n2c1 17256889 KJSUBUNASAXSKR-UHFFFAOYSA-N 414.845 3.104 0 40 HGAB Nc1ncc(-c2ccc([C@@H]3CCCN(CC(=O)Nc4ccccc4F)C3)nc2)cn1 19688597 UHQHBRQOELZXSN-MRXNPFEDSA-N 406.465 3.078 0 40 HGAB Cc1cc(C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCCC3)c2)c2c(C)noc2n1 19715830 ZVGCOHFKKNNWHO-UHFFFAOYSA-N 414.487 3.185 0 40 HGAB CCOc1ccc(N2C(=O)C[C@@H](N3CCC(c4nc5ccccc5[nH]4)CC3)C2=O)cc1 20176534 CISVYJMJGOHDIT-OAQYLSRUSA-N 418.497 3.473 0 40 HGAB O=S(=O)(N1CCCCCC1)N1CCN(Cc2ccc(Cl)cc2Cl)CC1 22547099 VMVZTWVYVAJKRZ-UHFFFAOYSA-N 406.379 3.232 0 40 HGAB Cc1ccc(CS(=O)(=O)N2CCC(C(=O)Nc3c(F)cccc3F)CC2)cc1 24608935 NIIXEJTULRCSMG-UHFFFAOYSA-N 408.470 3.454 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCCN(C(=O)c3cn(C)c4ccccc34)CC2)cc1 25916921 GTPCBDQTSMBLCV-UHFFFAOYSA-N 411.527 3.024 0 40 HGAB O=C(OCc1cc(Cl)c2c(c1)OCCO2)c1ccc(CN2C(=O)CCC2=O)cc1 26210917 DRPKEDFKDAHCQK-UHFFFAOYSA-N 415.829 3.117 0 40 HGAB CN(C)[C@@H](CNC(=O)c1ccc2c(=O)n3c(nc2c1)CCC3)c1ccccc1Cl 27104103 IVKKGAONKCZXSI-IBGZPJMESA-N 410.905 3.029 0 40 HGAB Cc1nn(-c2ccccc2)c(C)c1[C@@H]1C(=O)NCCN1C(=O)c1ccc(Cl)cc1 31777359 INMIGFCGCALIPQ-HXUWFJFHSA-N 408.889 3.456 0 40 HGAB O=C([C@@H]1CCCO1)N1CCN(c2nnc(-c3ccc(F)cc3)c3ccccc23)CC1 33010965 WFONJFFURRFARV-FQEVSTJZSA-N 406.461 3.264 0 40 HGAB Cc1ccc(N2C(=O)[C@H]3[C@@H]4CCCN4[C@H](C(=O)c4ccc(Cl)cc4)[C@@H]3C2=O)cc1 35889686 DNFVZNPHOQSYCX-HAGHYFMRSA-N 408.885 3.484 0 40 HGAB O=C(Nc1ccc(OC(F)(F)F)cc1)c1cn(C[C@H]2CCCO2)cc2c(=O)[nH]nc1-2 36705891 MFZCNJSKTNKPLA-CYBMUJFWSA-N 422.363 3.006 0 40 HGAB CC[C@@H](CNC(=O)C(=O)Nc1ccccc1N1CCc2ccccc21)N1CCCC1 41594149 IDEOVMSPCOZPCZ-IBGZPJMESA-N 406.530 3.310 0 40 HGAB CC(C)(C)OC(=O)N1CCC[C@H](COc2ccc(C(=O)N3CCOCC3)cc2)C1 43220459 NTWIHQIHEPWZIT-KRWDZBQOSA-N 404.507 3.185 0 40 HGAB CC(=O)N1CCN(c2cc(-c3noc([C@@H]4CCCN4C4CCCCC4)n3)ccn2)CC1 49154939 BUUNZKOVNQIBJA-FQEVSTJZSA-N 424.549 3.270 0 40 HGAB biogenic,in-vitro CC(=O)Nc1ccc(NC(=O)c2cn(-c3cc(N4CCC(C)CC4)ncn3)cn2)cc1 49411238 CXAVVWBTRQAXQJ-UHFFFAOYSA-N 419.489 3.109 0 40 HGAB COc1ccc(NC(=O)[C@H](C)n2nc(-c3ccc(C)cc3)cc(NC(C)=O)c2=O)cc1 64604922 ITYUFNCTEUJJRX-HNNXBMFYSA-N 420.469 3.385 0 40 HGAB CCC(=O)N1CCCC[C@@H]1c1nc(C)c2c(n1)N(Cc1ccc(OC)cc1)C(=O)C2 72371852 QLKHNOLSEDGTKX-LJQANCHMSA-N 408.502 3.347 0 40 HGAB COc1cccc(C(=O)N2CCN(CCn3ccnc3-c3ccccc3)CC2)c1OC 77158854 OXSLEZBXIYMXOD-UHFFFAOYSA-N 420.513 3.025 0 40 HGAB CC[C@@]1(C)NC(=O)N(CC(=O)Oc2ccc3cc(Br)ccc3c2)C1=O 84734965 IIHMUVSZBBBKFV-GOSISDBHSA-N 405.248 3.228 0 40 HGAB CCOC(=O)c1[nH]c(C)c(S(=O)(=O)N(C)c2ncc(Cl)cc2Cl)c1C 89984778 SWFSVLAVKBUBHM-UHFFFAOYSA-N 406.291 3.335 0 40 HGAB CN(C)CCS(=O)(=O)c1ccccc1C(=O)NCC1(Cc2ccccc2)CCC1 95453141 KCUSGHGZGBICQZ-UHFFFAOYSA-N 414.571 3.165 0 40 HGAB O=C(C[C@H]1N=C(O)N(CCc2ccccc2)C1=O)Nc1nc2c(s1)CCCCC2 95480960 XNGPQOGLFLKMGZ-MRXNPFEDSA-N 412.515 3.108 0 40 HGAB CC(=O)N1C[C@H](c2ncn(C(C)C)n2)c2cc(C(=O)NCc3ccc(F)cc3)ccc21 96156342 AMSOSXCNQBQWHZ-FQEVSTJZSA-N 421.476 3.427 0 40 HGAB Cc1cccc(C)c1N(CN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O)C(=O)C(F)(F)F 100396366 NAYGKMWJHAHOFD-KPLDXPABSA-N 418.415 3.209 0 40 HGAB Cc1cc(NC(=O)[C@H](C)N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c(C)cc1Br 102090272 ISXWINLQHYMTPR-UCQBOQSVSA-N 417.303 3.200 0 40 HGAB Cc1ccc(CC(=O)N2CC[C@]3(CC[C@H](C(=O)Nc4cccnc4)O3)[C@@H](C)C2)cc1 107271830 PTIHIDJQLUQKFD-SNYIIPAISA-N 407.514 3.357 0 40 HGAB COC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Br)cc1 113874279 KSLJYHJEYCPJMH-UHFFFAOYSA-N 418.696 3.471 0 40 HGAB CC(=O)O[C@H]1C[C@H]2[C@@H]([C@H](OC(C)=O)C[C@H]3CCCC[C@]23C)[C@]2(O)C(=O)CC[C@@]12C 123380437 OCASYMYIISJFFR-BQOQVLNTSA-N 406.519 3.186 0 40 HGAB CC(C)OCCCNc1ccc(C(=O)O)cc1S(=O)(=O)NCCc1ccccc1 217484063 XVJYGCCDVPRGIZ-UHFFFAOYSA-N 420.531 3.133 0 40 HGAB CC[C@H](C(=O)N1CCc2ccccc21)N(c1cc(Cl)ccc1OC)S(C)(=O)=O 222496294 JNGOVMAIBKXXSV-MRXNPFEDSA-N 422.934 3.483 0 40 HGAB COc1ccccc1OCC(=O)N(CCc1ccccc1)[C@@H](C)C(=O)NC(C)(C)C 223094805 XYCIUHJPHZCYJA-SFHVURJKSA-N 412.530 3.449 0 40 HGAB COc1ccc(-c2noc(CNC(=O)c3ccc(Cn4ccnc4C)cc3)n2)cc1 225299974 RQHZSZVAJYRZDJ-UHFFFAOYSA-N 403.442 3.228 0 40 HGAB COC(=O)c1ccc(NC(=O)CCNC(=O)c2ccc3nc(Cl)oc3c2)cc1 225979408 XNXYULJSSCQPRT-UHFFFAOYSA-N 401.806 3.026 0 40 HGAB CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCc2nc3ccc(F)cn3c(=O)c2C1 238819677 CIFBLXLAHPOWGL-UHFFFAOYSA-N 415.852 3.229 0 40 HGAB COC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN12 247809935 BXXHLOUIOGUWCB-RDGPPVDQSA-N 408.841 3.028 0 40 HGAB COc1ccc2c(c1)OC(C)(C)[C@@H]1C[C@H]3CN(C(=O)[C@H](N)C(C)C)CC[C@H]3O[C@@H]21 257234428 GTMTVRUSDCHBBM-RUXLODGWSA-N 402.535 3.144 0 40 HGAB COc1ccc(Cl)cc1S(=O)(=O)N[C@H](C)C(=O)Nc1cccc(SC)c1 408620287 JBBPSEQSHPKDFE-LLVKDONJSA-N 414.936 3.376 0 40 HGAB CC[C@H](C)NS(=O)(=O)c1ccc(OCC(=O)NCc2ccc(Cl)cc2)cc1 409194262 IZNHZSPYMIYUEZ-AWEZNQCLSA-N 410.923 3.112 0 40 HGAB COC(=O)c1cn([C@@H](CC(=O)O)c2ccc(OC)c3ccccc23)cc2c(O)nnc1-2 524733508 PLJJZVHNUWOQGO-KRWDZBQOSA-N 421.409 3.101 0 40 HGAB O=C(c1ccc2ncn(-c3ccc(Cl)cc3)c2c1)N1CCC[C@@H](N2CCNC2=O)C1 558448864 IOSNAGFTIGOQPS-GOSISDBHSA-N 423.904 3.309 0 40 HGAB Cc1cccc(Nc2cc(C[C@@H]3CCCN(C(=O)/C=C/c4cnn(C)c4)C3)ncn2)n1 585291038 IEUMZSNHZOYHQQ-BLGFXRMMSA-N 417.517 3.152 0 40 HGAB CCOc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc1 793050 DNRQUPYMMRVYDM-UHFFFAOYSA-N 424.906 3.012 0 40 HGAB COc1ccc(OCC(=O)Nc2ccc(N3CCN(C(=O)C(C)C)CC3)cc2)cc1 804997 PXYDVKXTQRMKES-UHFFFAOYSA-N 411.502 3.017 0 40 HGAB COc1ccc2cc(CN(C(=S)NC[C@H]3CCCO3)C3CCCC3)c(=O)[nH]c2c1 879790 OUGOZCPYXWWGTQ-LJQANCHMSA-N 415.559 3.335 0 40 HGAB C/C(NCc1ccc(F)cc1)=C1/C(=O)NC(=O)N(c2ccccc2C(F)(F)F)C1=O 1407466 HWDLJNCYWHAIHZ-LFIBNONCSA-N 421.350 3.491 0 40 HGAB CCOc1ccc(-n2c(SCC(=O)N3CCOCC3)nnc2-c2ccccc2)cc1 3290420 JPIFVXAHAXWOHW-UHFFFAOYSA-N 424.526 3.284 0 40 HGAB Cc1ccc(CSc2nnc(Cc3cc(=O)[nH]c(=O)[nH]3)n2-c2cccc(C)c2)cc1 4061369 OHHKVKPQSDWIQF-UHFFFAOYSA-N 419.510 3.144 0 40 HGAB Cc1cc(NC(=O)[C@H](C)N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2=O)cc(C)c1Br 4553373 SRVMAAVBPGJDNM-PLPKTUSISA-N 419.319 3.424 0 40 HGAB COc1cc2nc(SCC(=O)NC3CCCCC3)n3nc(C)nc3c2cc1OC 5005754 GPZCVRIBYQLHMK-UHFFFAOYSA-N 415.519 3.144 0 40 HGAB Cc1ccc(C)c(Cn2nnc3c(O)nc(C4CCN(C(=O)C5CCC5)CC4)nc32)c1 5737856 XZGLBPCGOPILNB-UHFFFAOYSA-N 420.517 3.098 0 40 HGAB CC1(C)OC[C@@H]([C@H]2O[C@H]3OC(C)(C)O[C@@H]3C2=C(Br)Br)O1 5741881 YKIWHTZFXBWIDR-QSKNDCFUSA-N 414.090 3.016 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CNc1cccc(F)c1 6397444 CLWBBVJGJROYKS-UHFFFAOYSA-N 405.495 3.359 0 40 HGAB C[C@H](NC(=O)c1ccccc1)c1nc2ccccc2n1CC(=O)NC(=O)NC(C)(C)C 6648230 MYZJSLPAZBECLR-HNNXBMFYSA-N 421.501 3.152 0 40 HGAB O=C1c2[nH]nc(-c3ccccc3O)c2[C@@H](c2cccc(Br)c2)N1CCO 6753013 MJPGYRLSNMXPIK-GOSISDBHSA-N 414.259 3.082 0 40 HGAB COc1ccc(NC(=O)[C@@H]2CC2(Cl)Cl)cc1S(=O)(=O)N1CCCCC1 6887328 UEACEKQPFYABAW-LBPRGKRZSA-N 407.319 3.002 0 40 HGAB O=C(NCc1ccc(Cl)cc1)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 7068586 QKFXOBKCDIUZRW-HNNXBMFYSA-N 410.898 3.196 0 40 HGAB Cc1ccc(Cl)cc1NC(=O)COC(=O)[C@H]1CC(=O)N(c2ccccc2F)C1 7295805 SLJCMLIMTBBCST-ZDUSSCGKSA-N 404.825 3.322 0 40 HGAB O=C(N[C@@H]1CCCc2ccccc21)[C@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1 7547769 SFWIWSVYOZFWRW-FXAWDEMLSA-N 423.538 3.041 0 40 HGAB Cc1ccc(NC(=O)COC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)cc1C 7758811 IEOFIPVNWHXKER-UHFFFAOYSA-N 409.891 3.303 0 40 HGAB O=C(CN(Cc1cccs1)C[C@@H]1CCCO1)Nc1ccc(N2CCOCC2)cc1 8706886 DTXRJJOMJYTOCW-FQEVSTJZSA-N 415.559 3.204 0 40 HGAB COc1ccc(C(=O)CN2C(=O)N[C@](C)(c3cccc(Br)c3)C2=O)cc1 9592381 DSVPRWPTDOTXDA-LJQANCHMSA-N 417.259 3.108 0 40 HGAB CCn1cc(C(=O)NCCc2ccccc2OC)c2nn(-c3ccccc3)c(=O)c-2c1 9661424 SKDNVYGOJLJHEH-UHFFFAOYSA-N 416.481 3.140 0 40 HGAB Cc1cccnc1[C@@H](Cc1ccsc1)NC(=O)Cc1ccc(S(C)(=O)=O)cc1 12229445 NJGPAHYGRYQPJE-LJQANCHMSA-N 414.552 3.498 0 40 HGAB CC[C@H]1Oc2ccc([C@H](O)c3ccco3)cc2N(CC(=O)NCc2ccccc2)C1=O 12233511 PQUMFDRRMWJFBX-XXBNENTESA-N 420.465 3.182 0 40 HGAB COC(=O)c1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3cc4ccccc4[nH]3)C2)cc1 12323096 XOJVHZIHDQUXKG-QGZVFWFLSA-N 405.454 3.445 0 40 HGAB CCOC(=O)Nc1ccc2c(CN3C(=O)NC4(CCCCC4)C3=O)cc(=O)oc2c1 12461933 HSQGJBJIJVPKBH-UHFFFAOYSA-N 413.430 3.116 0 40 HGAB C[C@H]1CN(C(=O)COC(=O)COc2cc(Cl)c(Cl)cc2Cl)C[C@@H](C)O1 12741257 PCYGKZYRODZHES-AOOOYVTPSA-N 410.681 3.205 0 40 HGAB COc1ccccc1CN(C)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F 12749282 ZWCGPYIWTPUYTI-GOSISDBHSA-N 421.419 3.433 0 40 HGAB CCOc1ccc(CC(=O)NCc2ccccc2S(=O)(=O)N2CCCCC2)cc1 12822642 XJIXFBJLPMLUMF-UHFFFAOYSA-N 416.543 3.119 0 40 HGAB COc1ccc([C@H](C)NC(=O)c2ccc3c(c2)C[C@H](C)N3S(C)(=O)=O)cc1F 12995333 RRPGQVMQCHHQKT-STQMWFEESA-N 406.479 3.036 0 40 HGAB COCCN(CCOC)C(=O)c1cc(-c2cccs2)n(-c2ccc(F)cc2)n1 13001821 XSXYMZQSJPKHQL-UHFFFAOYSA-N 403.479 3.475 0 40 HGAB COc1ccc([C@H]2c3sc(=O)[nH]c3S[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]32)cc1 13776904 MSTJOPBPZBIPGP-INMHGKMJSA-N 424.503 3.241 0 40 HGAB Cc1nc(-c2ccc(CNC(=O)CCN3C(=O)[C@@H]4CCCC[C@H]4C3=O)s2)cs1 14071331 ZPUWWFNKAOKAQP-HUUCEWRRSA-N 417.556 3.362 0 40 HGAB CC(C)NS(=O)(=O)c1ccc(C(=O)N[C@H](c2nc3ccccc3[nH]2)C(C)C)cc1 14776483 GPOYARZLVIBTJW-IBGZPJMESA-N 414.531 3.377 0 40 HGAB Cc1ccc2c(c1)C(=O)CC1(CCN(C(=O)COc3ccc4c(c3)OCCO4)CC1)O2 19218213 CERMBEFZAPQCTA-UHFFFAOYSA-N 423.465 3.172 0 40 HGAB CC(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCN(C(=O)c4ccn(C)n4)C3)cc2N1 19451369 PMOLTFZIOKVMKP-IVMMDQJWSA-N 410.444 3.190 0 40 HGAB COc1ccc([C@@H]2[C@@H](NC(=O)[C@@H](C)CN3CCOCC3)[C@@H]3CCCC[C@H]32)cc1OC 19456329 QMTRVFBSDSLGJE-WYULLRTRSA-N 416.562 3.061 0 40 HGAB COc1ccc(CN2CCC[C@@H](c3ncc(Cl)cc3S(C)(=O)=O)C2)cc1O 19559704 RJQAVQLXDANIMJ-CQSZACIVSA-N 410.923 3.232 0 40 HGAB CNC(=O)[C@]1(Cc2ccccc2-c2ccncc2)CCCN(C(=O)c2cccnc2)C1 19591239 JQWHJYLPGQKITR-VWLOTQADSA-N 414.509 3.355 0 40 HGAB COc1ccc(-c2cnc(N(C)C)nc2C2CCN(C(=O)[C@H]3CCCO3)CC2)cc1 19695191 RHDAFCXVYWFVLN-HXUWFJFHSA-N 410.518 3.103 0 40 HGAB O=C(Nc1ccc(F)c(F)c1F)c1ccc(F)c(S(=O)(=O)N2CCCC2)c1 19935725 BCSNOMMWEBPMFL-UHFFFAOYSA-N 402.369 3.280 0 40 HGAB COc1ccc(Cl)cc1S(=O)(=O)NCCc1csc(-c2cccnc2)n1 19942481 JQZAIVFZWMDKOF-UHFFFAOYSA-N 409.920 3.388 0 40 HGAB CCOC(=O)[C@H]1C(=O)N=C(N2CCc3ccccc3C2)N[C@H]1c1cccc(Cl)c1 20637008 XSFXNOYACYLDOM-MOPGFXCFSA-N 411.889 3.105 0 40 HGAB COCCCNS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1cccc(Cl)c1 20767067 JOCIOGNHINETGY-UHFFFAOYSA-N 422.934 3.248 0 40 HGAB Cc1ccc(S(=O)(=O)N2C(=O)CC[C@@H]2C(=O)Nc2cc(Cl)ccc2C)cc1 21089982 AZJFGPPQFBLKEO-QGZVFWFLSA-N 406.891 3.275 0 40 HGAB O=C(NCc1ccccc1CN1CCOCC1)c1cc(Cl)c2c(c1)OCCCO2 23806053 NZFMXNBKVLVOMP-UHFFFAOYSA-N 416.905 3.264 0 40 HGAB C[C@@H](C(=O)Nc1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1)n1cncn1 24576483 HVBPRLULGKRYOA-HNNXBMFYSA-N 421.482 3.432 0 40 HGAB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)N(C)CC(=O)Nc2c(Cl)cccc2Cl)C1 24830227 ALEIUFOQEXOQPZ-VXGBXAGGSA-N 408.351 3.086 0 40 HGAB CCCN(Cc1nnc(-c2ccco2)o1)C(=O)CCN1C(=O)c2ccc(C)cc2C1=O 25277426 WERVONOBOMLNGH-UHFFFAOYSA-N 422.441 3.063 0 40 HGAB Cc1cc(C)cc(OCC(=O)NC[C@H](c2ccc(Cl)cc2)N2CCN(C)CC2)c1 27663593 CJKASSTWKCDYRF-JOCHJYFZSA-N 415.965 3.441 0 40 HGAB CC(=O)c1cccc(Nc2nnc(SCc3ccccc3Cl)n(N)c2=O)c1 28536242 QIRRTCQZRORROB-UHFFFAOYSA-N 401.879 3.244 0 40 HGAB Cc1ccc2nc(Cn3nc(-c4ccccc4)cc(C(F)(F)F)c3=O)cc(=O)n2c1 29215611 KGEVGKCGYJINAL-UHFFFAOYSA-N 412.371 3.294 0 40 HGAB CCOCCCNc1nnc(SCC(=O)N[C@@H](C)c2ccc3c(c2)OCO3)s1 32777430 QSCAVKNMAJJBAC-LBPRGKRZSA-N 424.548 3.075 0 40 HGAB Cc1nc2sc([C@H](c3ccccc3Cl)N3CCC4(CC3)OCCO4)c(O)n2n1 36066092 AIFSJPIVKHAYBH-HNNXBMFYSA-N 420.922 3.387 0 40 HGAB Cc1cc(C(=O)NC[C@@H](C)Cn2cccn2)c2c(C)nn(Cc3ccccc3)c2n1 36616553 QCLIBXNGVJICQE-MRXNPFEDSA-N 402.502 3.359 0 40 HGAB C[C@H](NC(=O)[C@H]1CN(S(C)(=O)=O)c2cc(C(C)(C)C)ccc2O1)c1ccccc1 38832885 FCBVLFPOHPFHBG-MGPUTAFESA-N 416.543 3.389 0 40 HGAB Cc1nn(-c2ccc(C(F)(F)F)cn2)c(C)c1CC(=O)Nc1nnc2ccccn12 44500808 XWVFOGLIYBGKKY-UHFFFAOYSA-N 415.379 3.127 0 40 HGAB C[C@H]1CCCN(c2nc3ncn(CC(=O)Nc4cc(F)ccc4F)c(=O)c3s2)C1 67226242 VDYAPJJYEMSTGM-NSHDSACASA-N 419.457 3.006 0 40 HGAB COc1ccc(NC(=O)c2nnn(CC(=O)Nc3ccc(F)c(Cl)c3)c2C)cc1 67323095 KVXSQDPFFILNAO-UHFFFAOYSA-N 417.828 3.279 0 40 HGAB COC(=O)[C@@H](Cc1c[nH]c2ccc(Br)cc12)NC(=O)[C@@H]1CC=CCC1 72306768 UQNTXBVDFKCBID-SJKOYZFVSA-N 405.292 3.487 0 40 HGAB O=C(NCc1ccccc1F)[C@H](c1cc(Br)cs1)N1CCOCC1 72306886 GQVZJTQQWGFVOH-INIZCTEOSA-N 413.312 3.339 0 40 HGAB Cc1nc([C@H]2CCCN2C(=O)CN(C)C)nc2c1CCCN2CCc1ccccc1 72373759 LIBOZDRXIPYAED-OAQYLSRUSA-N 407.562 3.005 0 40 HGAB CCc1nnc(Nc2cccc(C3CCN(C4CCN(C(C)=O)CC4)CC3)n2)s1 72376174 CWUYNBRTNUFJSU-UHFFFAOYSA-N 414.579 3.429 0 40 HGAB CCOC(=O)Nc1nc2c(s1)CN(S(=O)(=O)c1cccc(Cl)c1)CC2 77196370 KKOOLLYXRXFCHL-UHFFFAOYSA-N 401.897 3.112 0 40 HGAB O=S(=O)(NCc1ccn2ccnc2c1)c1ccc(Br)cc1Cl 84339182 JTMBAFHBSYNCPG-UHFFFAOYSA-N 400.685 3.229 0 40 HGAB CC(C)CN(C[C@@H](O)c1ccc(F)cc1)c1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 89840138 JARUPSXSCWUPHX-HXUWFJFHSA-N 421.476 3.444 0 40 HGAB CC(=O)NCCN(C(=O)[C@@H](C)SCc1ccccc1)[C@H](C)C(=O)OC(C)(C)C 96004662 CUQHOPUMWHUCOH-HZPDHXFCSA-N 408.564 3.003 0 40 HGAB O=C(C[C@H]1CC2(CCN(Cc3cccnc3)CC2)c2ccccc21)N1CCOCC1 96052818 AVVVUDJGWCYVSE-NRFANRHFSA-N 405.542 3.352 0 40 HGAB CC(C)Cn1ccc2c(NC(=O)C[C@@H]3NC(=O)c4ccccc4NC3=O)cccc21 96113993 LEQNNAQBYGYMMR-IBGZPJMESA-N 404.470 3.377 0 40 HGAB biogenic CN1CC(=O)N(c2ccsc2)C[C@@]12CCN(C(=O)c1cccc(C(F)(F)F)c1)C2 96238144 LQTOKTKITNWOSA-IBGZPJMESA-N 423.460 3.330 0 40 HGAB Cc1nc(N2CCCC2)nc2c1CCN(S(=O)(=O)c1ccc(C(C)C)cc1)CC2 96254703 PWKYIGAMLAISQX-UHFFFAOYSA-N 414.575 3.298 0 40 HGAB COc1cccc(N2C[C@]34C=C[C@@H](O3)[C@@H](C(=O)N[C@H](C)CCCC(C)C)[C@@H]4C2=O)c1 108234013 ZYQVPVZYFQKFEK-JHNPVTAMSA-N 412.530 3.313 0 40 HGAB CCOc1ccc(CNC(=O)c2ccc(C)c(N(C)S(C)(=O)=O)c2)cc1OCC 222458336 GTDBMRGBVHXROL-UHFFFAOYSA-N 420.531 3.118 0 40 HGAB Cc1ccc(NC(=O)COc2ccc(S(=O)(=O)NC3CC3)cc2C)cc1Cl 223053868 WNXCWCYIXFDBKO-UHFFFAOYSA-N 408.907 3.415 0 40 HGAB COc1ccc(S(=O)(=O)NCc2ccc(CN3CCCC3=O)cc2)cc1C(C)C 223703139 FUUUPMAOZGAXFV-UHFFFAOYSA-N 416.543 3.420 0 40 HGAB CCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CSCc1ccccc1 223966524 CFHXFGVBHPQJGF-QGZVFWFLSA-N 400.544 3.482 0 40 HGAB CSc1ccc(S(=O)(=O)NCCc2ccc(F)cc2)cc1C(=O)N1CCCC1 224318765 YPAMKZZXYMQJIN-UHFFFAOYSA-N 422.547 3.305 0 40 HGAB CCc1ccc(NS(=O)(=O)c2nnc(NC(=O)c3ccccc3C)s2)cc1 224657702 IIYSFJDOTJDXBE-UHFFFAOYSA-N 402.501 3.462 0 40 HGAB COc1ccc(S(=O)(=O)N(CC(=O)O)c2ccccc2C)cc1Br 224873263 NRQOVFGUYNIRIC-UHFFFAOYSA-N 414.277 3.046 0 40 HGAB CS(=O)(=O)N(CC(=O)Nc1ccc(N2CCCCC2)cc1)Cc1ccccc1 224979113 NUDLIAJWQIBGGM-UHFFFAOYSA-N 401.532 3.077 0 40 HGAB COc1cccc(-c2noc(CNC(=O)COc3cccc(C(F)(F)F)c3)n2)c1 225815048 KJUMCZJHYGYWMK-UHFFFAOYSA-N 407.348 3.459 0 40 HGAB Cc1ccc(CN(CC(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)S(C)(=O)=O)cc1 225827759 KNQJRDMRWRUQME-LJQANCHMSA-N 416.543 3.175 0 40 HGAB Cc1c(Cl)cccc1-n1ccn2c(=O)n(Cc3c(F)cccc3Cl)nc2c1=O 245053626 PDIFNPZBFMEKHP-UHFFFAOYSA-N 419.243 3.450 0 40 HGAB CCc1nccn1CC(=O)N1CCC[C@@H](c2ncc(Cc3ccccc3OC)o2)C1 257263066 LOFVNWVKOWHMGU-GOSISDBHSA-N 408.502 3.439 0 40 HGAB Cn1cc(C(=O)N2CCC[C@@H](c3nc4ccc(-c5cccc(F)c5)cn4n3)C2)cn1 306128339 GXQPWVWLNCURNE-QGZVFWFLSA-N 404.449 3.289 0 40 HGAB COCCNC(=O)c1nc(-c2ccc(F)cc2)n(-c2ccc(Br)cc2)n1 408692875 XKABRKUYWWEBLW-UHFFFAOYSA-N 419.254 3.212 0 40 HGAB O=C(N[C@@H]1C(=O)N/[N+](=C\c2ccccc2)[C@H]1c1ccccc1)c1ccc(Cl)cc1 409061222 BZSUVPMUOCJDBU-UGYRXPJGSA-O 404.877 3.356 0 40 HGAB O=C(NCCn1ccc2c(Cl)cccc21)c1c(-n2cnnn2)sc2c1CCC2 524734453 GLVOKFVVKATULD-UHFFFAOYSA-N 412.906 3.251 0 40 HGAB O=S1(=O)C[C@@H](O)[C@@H](N(c2cccc(O)c2)C(c2ccccc2)c2ccccc2)C1 575420430 HWPQRKUIYCVVNU-FCHUYYIVSA-N 409.507 3.146 0 40 HGAB Cc1noc(C)c1C(=O)N1CC[C@]2(C1)c1cccn1-c1ncccc1N2CC1CC1 585107377 UJEIUQDUBOBVFR-QHCPKHFHSA-N 403.486 3.449 0 40 HGAB O=C(C1CCOCC1)N1CCC[C@@H](c2cccc(-c3noc(C(F)(F)F)n3)n2)C1 585289860 LGCFTDLCRXAICD-CYBMUJFWSA-N 410.396 3.283 0 40 HGAB Cc1ccc(S[C@H](C(=O)NCCN2CCCS2(=O)=O)c2ccccc2)c(C)c1 592036999 GMWSUWVFPAEVGY-FQEVSTJZSA-N 418.584 3.289 0 40 HGAB CC(C)Oc1ccc(C(=O)N2CCC(Oc3nccc(C(F)(F)F)n3)CC2)cn1 1776009761 POIBPEDMWVKUGL-UHFFFAOYSA-N 410.396 3.361 0 40 HGAB Cc1nc2ccccc2c(=O)n1CC1CCN(c2ncc(Br)cn2)CC1 1888888110 LSZYDQJAWCWYNC-UHFFFAOYSA-N 414.307 3.174 0 40 HGAB Cc1cnn(CC(=O)N2CCC[C@](O)(COc3cc(C)c(Cl)c(C)c3)CC2)c1 2037912502 MFXZMCDMKNBUHF-OAQYLSRUSA-N 405.926 3.284 0 40 HGAB O=C(O)[C@@H]1CCCC[C@H]1C(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 794188 QYTZXQYIXFMOCW-QZTJIDSGSA-N 408.520 3.081 0 40 HGAB COc1ccc(-c2nnn(CC(=O)Nc3cc(Cl)cc(Cl)c3)n2)cc1OC 794802 GMNBJDPACAYIRE-UHFFFAOYSA-N 408.245 3.303 0 40 HGAB O=C1c2sc3nc(=O)c(-c4cccs4)nn3c2C(=O)N1c1ccc(Cl)cc1 954383 IKZBGOKVNQSQFL-UHFFFAOYSA-N 414.855 3.334 0 40 HGAB CC1=NN(C(=O)c2ccc(Br)cc2)[C@](O)(C(F)(F)OC(F)(F)F)C1 983251 NYLOQLXZAVKZQM-LLVKDONJSA-N 417.128 3.489 0 40 HGAB CCOc1cc(C=O)ccc1Oc1cc2n(c(=O)n1)CCc1cc(OC)c(OC)cc1-2 2137860 NJDPXBBSXZVRHC-UHFFFAOYSA-N 422.437 3.487 0 40 HGAB biogenic COc1ccc([C@H]2C[C@@H](c3ccccc3)n3nc(N4C(=O)CCC4=O)nc3N2)cc1 2418906 MVGUOZHOIAPPOI-MSOLQXFVSA-N 403.442 3.086 0 40 HGAB CC(=O)[C@@H]1[C@@H](c2ccc(OCc3ccccc3)cc2)NC(=O)N[C@]1(O)C(F)(F)F 2458390 CVDMCJKLBADQIE-ZHALLVOQSA-N 408.376 3.076 0 40 HGAB COc1cc(-c2nnc(SCC(=O)O)n2-c2ccccc2F)cc(OC)c1OC 2647537 NAKTVGRCBGRKHC-UHFFFAOYSA-N 419.434 3.276 0 40 HGAB CCC(CC)c1nnc(NC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)s1 2660536 JEDGMMCWPNJHPI-CYBMUJFWSA-N 416.503 3.205 0 40 HGAB O=c1c(Cl)c(Cl)cnn1Cc1nnc(-c2ccccc2Br)o1 3411998 JZBXRUCPXQISGH-UHFFFAOYSA-N 402.035 3.411 0 40 HGAB COC(=O)c1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)c1 3559177 ABDNXVCCEINSDN-UHFFFAOYSA-N 422.890 3.163 0 40 HGAB C[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)NCc2ccccc2Cl)C1=O 3600402 UBJTUCXODSYSFV-IBGZPJMESA-N 406.269 3.077 0 40 HGAB O=C(COC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)c1ccc(Cl)cc1 3620482 BRYIWGQYGJNWQX-UHFFFAOYSA-N 407.875 3.164 0 40 HGAB Cc1ccc(N(C(=O)c2cc3ccccc3oc2=O)[C@@H]2C=CS(=O)(=O)C2)cc1C 4165443 QBHSTEFAMYWRMC-GOSISDBHSA-N 409.463 3.367 0 40 HGAB CCCCSc1nc2c(c(=O)[nH]1)[C@H](c1ccncc1)C(C(=O)OCC)=C(C)N2 4292286 ALATWYFGVCUARC-OAHLLOKOSA-N 400.504 3.452 0 40 HGAB CCCCN1C(=O)[C@H]2ON(c3ccccc3)[C@H](c3ccc(OC)cc3OC)[C@H]2C1=O 4294070 IXQNZHPLCJRLSM-NJYVYQBISA-N 410.470 3.350 0 40 HGAB Cc1cccc(-c2nc3scc(CCNC(=O)C(=O)Nc4ccccc4C)n3n2)c1 4374877 NNLSWKJCBQJXRZ-UHFFFAOYSA-N 419.510 3.372 0 40 HGAB Cc1cccc(-n2ncc3c(=O)n(CC(=O)Nc4ccc(F)cc4F)cnc32)c1C 4479196 HJJMHAVDPVGOSJ-UHFFFAOYSA-N 409.396 3.116 0 40 HGAB COc1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)c1 4575167 PVCIDEYZSKOMLF-AWEZNQCLSA-N 408.907 3.388 0 40 HGAB CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)O 4647131 CULPHZBOVMVYRW-WTTBNOFXSA-N 415.467 3.409 0 40 HGAB COC(=O)c1c(NS(=O)(=O)c2ccc(NC(C)=O)cc2)sc2c1CCCC2 5052096 VLDGTYUPQAZPLE-UHFFFAOYSA-N 408.501 3.173 0 40 HGAB CCc1cccc2c(C(=O)COC(=O)/C(=C/c3ccccc3)n3nnnc3C)c[nH]c12 5210662 HAOAWCPWOFGWAF-NDENLUEZSA-N 415.453 3.449 0 40 HGAB CCOC(=O)c1cc(CC)sc1NC(=O)COC(=O)c1n[nH]c2ccccc12 5360538 WPAHTAOEOAJZPH-UHFFFAOYSA-N 401.444 3.159 0 40 HGAB Cc1cn([C@H]2C[C@@H](O)[C@H](CO)O2)c(=O)nc1NC1CCCCCCCCCCC1 5496610 NLXIYELCOAXGBJ-HSALFYBXSA-N 407.555 3.278 0 40 HGAB Cc1ccc(NC(=O)COc2cccc(F)c2)cc1S(=O)(=O)N1CCCCC1 5965956 KQIVZXJBMURGCI-UHFFFAOYSA-N 406.479 3.326 0 40 HGAB CCN(CC)S(=O)(=O)c1cc(C(=O)NCc2nc3ccccc3[nH]2)ccc1Cl 5995307 DHAUXUJHPKGZAQ-UHFFFAOYSA-N 420.922 3.177 0 40 HGAB COc1ccc(-n2c(SCC(=O)NCc3ccco3)nnc2-c2cccnc2)cc1 6157234 GCNYBLHBPQTAGB-UHFFFAOYSA-N 421.482 3.339 0 40 HGAB CCn1c(CC(=O)Nc2ccccc2)nnc1SCC(=O)N[C@@H]1CCCC[C@H]1C 6356559 UQHVRDJVTRQKEB-NVXWUHKLSA-N 415.563 3.266 0 40 HGAB O=C(NCc1ccc(F)cc1)c1ccc2c(=O)n(CCc3ccccc3)c(=O)[nH]c2c1 6732972 NDFSLRCBRINLEG-UHFFFAOYSA-N 417.440 3.002 0 40 HGAB CN1C(=O)/C(=C\c2cn(CCCOc3ccccc3)c3ccccc23)C(=O)NC1=S 6949747 OSFNCUXBSGVWJJ-RGEXLXHISA-N 419.506 3.367 0 40 HGAB CNC(=O)[C@H]1CN(CC(=O)Nc2c(Cl)ccc(C)c2Cl)c2ccccc2O1 7252635 HUYDVZUDOYAWMI-OAHLLOKOSA-N 408.285 3.254 0 40 HGAB COc1cc(CNCCCSc2nnnn2C)ccc1OCc1ccccc1C 7541540 MANOKGAFAFVMGX-UHFFFAOYSA-N 413.547 3.378 0 40 HGAB COC(=O)C1=C(C)N(CCCC(=O)O)C(=O)N[C@@H]1c1ccc(Cl)cc1Cl 7551164 BIYNBGNTOSOSAC-OAHLLOKOSA-N 401.246 3.372 0 40 HGAB Cc1c(C(=O)N2CCN(S(=O)(=O)c3cccs3)CC2)oc2ccc(F)cc12 8038502 UQHOYXCWQFFVDF-UHFFFAOYSA-N 408.476 3.089 0 40 HGAB COc1ccc(/C=C/C(=O)NCCC(=O)N(C)Cc2nc3ccccc3s2)cc1 8130955 QJZLXNCLWDNEOK-FMIVXFBMSA-N 409.511 3.483 0 40 HGAB O=C(NCCOc1ccccc1F)c1nn(Cc2ccccc2)c(=O)c2ccccc12 8156254 ODRDIMVURMNBBJ-UHFFFAOYSA-N 417.440 3.393 0 40 HGAB O=C(Nc1nnc(CCCOc2ccccc2)s1)[C@@H]1CC(=O)N(C2CCCC2)C1 8234724 DURJBMYJYGYERR-OAHLLOKOSA-N 414.531 3.279 0 40 HGAB Cc1ccc(NC(=O)CN(C)C(=O)CCn2c(=O)oc3cc(Cl)ccc32)cc1 8246439 YOHVNDVCQLJSPK-UHFFFAOYSA-N 401.850 3.044 0 40 HGAB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)CCN1C(=O)NC2(CCCC2)C1=O 8347827 KURCIWDMPMYTCK-ZDUSSCGKSA-N 400.504 3.070 0 40 HGAB COc1c(Br)cc(Br)cc1CNCCCN1CCOCC1 8469486 BNFSGHWGMVRWLP-UHFFFAOYSA-N 422.161 3.032 0 40 HGAB Nn1c(SCC(=O)NCCc2ccccc2)nnc1-c1ccc(Cl)cc1Cl 8645226 QKIQKXXVCWOHMI-UHFFFAOYSA-N 422.341 3.417 0 40 HGAB Cc1ccc(-n2c(SCCn3c(C)csc3=O)nnc2N2CCCC2)cc1 8726056 PZXQXOYOANCFEB-UHFFFAOYSA-N 401.561 3.500 0 40 HGAB COc1ccc(N(C(=O)c2ccccc2Br)[C@H]2C=CS(=O)(=O)C2)cc1 9833878 AYEBAVMYIJBDFI-AWEZNQCLSA-N 422.300 3.415 0 40 HGAB CC[C@H](C(=O)Nn1cnc2c(cnn2-c2ccc(C)c(C)c2)c1=O)c1ccccc1 10252149 CHMFGBUHIQPWAQ-IBGZPJMESA-N 401.470 3.463 0 40 HGAB COc1ccc(-c2ccc(=O)n(CC3CCN(C(=O)C(C)(C)C)CC3)n2)cc1OC 12142686 GPRLAXYHUYWLFM-UHFFFAOYSA-N 413.518 3.212 0 40 HGAB CC(C)NS(=O)(=O)c1cc(C(=O)Nc2ccc3nc(C(C)(C)C)[nH]c3c2)n(C)c1 12535528 ZAAONTVYDPQMPG-UHFFFAOYSA-N 417.535 3.138 0 40 HGAB C/C=C/c1ccc(OC[C@H](O)Cn2c(=O)c3ccccc3n3nc(C)cc23)c(OC)c1 12909864 MKJOWUYNYJXSKL-WEBJUUICSA-N 419.481 3.439 0 40 HGAB CN(C)c1oc(-c2ccc(F)cc2)nc1S(=O)(=O)c1ccc2c(c1)OCCO2 13725708 JRGOIOWOCBOWEX-UHFFFAOYSA-N 404.419 3.151 0 40 HGAB O=C(O)c1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3ON2c2ccccc2)cc1 13805788 WDMCEWNAISSDKL-PWRODBHTSA-N 414.417 3.436 0 40 HGAB Cc1c(C)c(C)c(S(=O)(=O)N2CCN(C(=O)CCc3ccco3)CC2)c(C)c1C 14234744 YSJYSDWNWRLXDH-UHFFFAOYSA-N 418.559 3.287 0 40 HGAB O=C(Nc1ccc(I)cc1)c1ccc(N2CCOCC2)cc1 14398927 NCGKCVLEHNYUNU-UHFFFAOYSA-N 408.239 3.380 0 40 HGAB CN(CC(=O)Nc1ccc(OC(F)F)cc1)Cc1ccccc1N1CCOCC1 15038394 HPTFBMCLDAOWIZ-UHFFFAOYSA-N 405.445 3.195 0 40 HGAB COC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3cc(Cl)ccc3OC)C2)cc1 15630371 OUPPOQGBVACUPL-CYBMUJFWSA-N 402.834 3.127 0 40 HGAB O[C@@H]1C[C@@H](c2nc(-c3ccccn3)no2)N(Cc2cccc(OC(F)(F)F)c2)C1 15674222 HOAZDCFHUCWYNV-CJNGLKHVSA-N 406.364 3.338 0 40 HGAB biogenic,in-vitro Cc1cc2n(n1)[C@@H](C(F)F)C[C@@H](C1CCN(C(=O)CN3CCC[C@H](C)C3)CC1)N2 19128713 SCTCSRYJWGZAEK-JCGIZDLHSA-N 409.525 3.152 0 40 HGAB Cn1cc(-c2ccnc(N3CCCC3)n2)c([C@@H]2CCCN2C(=O)[C@@H]2CC=CCC2)n1 19290191 JWVHYTZPXYHBFE-XLIONFOSSA-N 406.534 3.497 0 40 HGAB COCCn1cc(-c2csc(NC(=O)[C@@H](C)Cn3cncn3)n2)c2ccccc21 19457917 GYNOBDPBSJUDED-AWEZNQCLSA-N 410.503 3.278 0 40 HGAB Nc1ncc(-c2ccc([C@H]3CCCN(CC(=O)Nc4ccc(F)cc4)C3)nc2)cn1 19688571 QVIKXGAKWSUYIN-INIZCTEOSA-N 406.465 3.078 0 40 HGAB Cc1nn(C)cc1C(=O)N1CCC[C@@H]1c1nc(N(C)C)ncc1-c1ccc(F)cc1 19689513 FJXAWLYLWUJGII-LJQANCHMSA-N 408.481 3.368 0 40 HGAB CNc1cc([C@H]2CC(=O)N(c3ccc(F)cc3)C2)nc(CN(C)C(=O)CC(C)C)n1 19700859 QKPZIALTUMCWFG-HNNXBMFYSA-N 413.497 3.182 0 40 HGAB O=C(Nc1ccc2c(c1)CN(Cc1ccccc1)C2)c1cnc(N2CCOCC2)nc1 19717586 RNPZMQOOYRHMLT-UHFFFAOYSA-N 415.497 3.081 0 40 HGAB Cc1ccc(NC(=O)CCc2nc3ccccc3[nH]2)cc1S(=O)(=O)N1CCCC1 19717777 ROPQATUEXGTURO-UHFFFAOYSA-N 412.515 3.227 0 40 HGAB Cc1nc([C@@H]2CCCN2C(=O)COC(C)C)nc2c1CCC(=O)N2CCC(C)C 19741987 NVDGFYWDRRFSIO-SFHVURJKSA-N 402.539 3.199 0 40 HGAB CN(C)S(=O)(=O)N(CC(=O)Nc1ccccc1C(F)(F)F)c1ccc(F)cc1 20245172 KRYCLBZSUKWYNL-UHFFFAOYSA-N 419.400 3.096 0 40 HGAB CCOC(=O)[C@@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@H]1c1sccc1C 20802547 WVQOPVMWAGKGMZ-DLBZAZTESA-N 413.499 3.168 0 40 HGAB O=C(CCc1nc(-c2ccncc2)no1)NCCc1ccc(Br)s1 22377150 LLMKAEBEQKPEDS-UHFFFAOYSA-N 407.293 3.247 0 40 HGAB CCCn1ccnc1S[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 23642468 BJQDVVZLOLRJCW-HNNXBMFYSA-N 422.576 3.197 0 40 HGAB CSc1nc2nc(C)c(CC(=O)N(CC(F)(F)F)[C@H](C)C3CC3)c(C)n2n1 24757924 FRXLHUUACNVCAB-SNVBAGLBSA-N 401.458 3.195 0 40 HGAB O=C(Nc1nc(CN2CCCCC2)cs1)c1cccc(NC(=O)[C@@H]2CCCO2)c1 24831064 ZCEXHXAXXBHYOF-SFHVURJKSA-N 414.531 3.499 0 40 HGAB CC(C)CC[C@H](C)N(C[C@H](O)COCc1ccco1)C[C@@H](O)COCc1ccco1 25051837 GMVQJAPQQYZGFA-PCCBWWKXSA-N 423.550 3.455 0 40 HGAB O=C(Nc1ccc(OC[C@H](O)COCc2ccc3c(c2)OCO3)cc1)c1ccco1 27213309 CXVCAMKXTGQZHN-QGZVFWFLSA-N 411.410 3.217 0 40 HGAB CCCNC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(OCC)cc2)C1 27396136 PVYUYVWJFHNUCX-MRXNPFEDSA-N 409.486 3.217 0 40 HGAB COc1ccc(-c2nonc2NC(=O)c2cc(-c3ccc4c(c3)OCCO4)on2)cc1 27663042 MLISKYUIALJWHO-UHFFFAOYSA-N 420.381 3.424 0 40 HGAB COc1ccc(Cl)cc1N1C[C@H](C(=O)NC[C@@H](c2cccs2)N(C)C)CC1=O 27675852 RJHZVYWHWABLPG-CJNGLKHVSA-N 421.950 3.182 0 40 HGAB CN1CC[C@@H](c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)[C@H](O)C1 29416077 BIIVYFLTOXDAOV-SJKOYZFVSA-N 401.846 3.305 0 40 HGAB biogenic,in-vitro Cc1ccccc1CN1CCN(C(=O)C[C@@H](NC(N)=O)c2ccc(Cl)cc2)CC1 32676110 FPGLTVQFCZRYMB-HXUWFJFHSA-N 414.937 3.092 0 40 HGAB CN1CCC2(CC1)C[C@H](NC(=O)c1ccc3c(c1)NC(=O)CS3)c1ccccc1O2 32676324 KYFCYFAEHROHPZ-SFHVURJKSA-N 423.538 3.449 0 40 HGAB CCOc1ncccc1CNC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 32787246 MXXZLEOUASXRSA-UHFFFAOYSA-N 408.424 3.427 0 40 HGAB COc1ccc(NC(=O)NCCNc2cc(-n3nc(C)cc3C)nc(C)n2)c(C)c1 35597352 SBAUKORRHCKUIW-UHFFFAOYSA-N 409.494 3.138 0 40 HGAB Cn1cc2c(C(F)F)cc(=O)n(CCC(=O)Nc3ccc(OC(F)F)cc3)c2n1 36621343 CVLNZSAZBRMLHB-UHFFFAOYSA-N 412.343 3.303 0 40 HGAB CSCC[C@@H](NC(=O)Cc1csc(-c2cccnc2)n1)c1nnc2ccccn12 36625376 OHUCYEJCKVQVTL-MRXNPFEDSA-N 424.555 3.401 0 40 HGAB Cc1nc2n(c(=O)c1C)CN(CCCN(C)C)CN2c1cc(Cl)cc(Cl)c1 38830204 JCSPTZOGDOLTLP-UHFFFAOYSA-N 410.349 3.487 0 40 HGAB Cc1noc(C)c1S(=O)(=O)NC1(c2ccc(Br)cc2)CCOCC1 40155818 DKYWQGSHHVKMSO-UHFFFAOYSA-N 415.309 3.038 0 40 HGAB Cc1cccc2nc(COc3ccc(S(=O)(=O)c4ccccc4)cc3)cc(=O)n12 42564477 LKHNNWGVPQBDOI-UHFFFAOYSA-N 406.463 3.415 0 40 HGAB CSc1ncc(Cl)c(C(=O)NCCNC(=O)c2ccc(C(F)(F)F)cc2)n1 44024190 JNUSJXQRILGNJG-UHFFFAOYSA-N 418.828 3.031 0 40 HGAB Cc1cccc(CN2CCC(C(=O)N[C@H](C)c3ccc(S(C)(=O)=O)cc3)CC2)c1 44857118 YSNFTZCHFUASJS-GOSISDBHSA-N 414.571 3.488 0 40 HGAB COC(=O)CC1=CC(SCC(=O)Nc2ccc(C(N)=O)cc2)=Nc2ccccc2N1 49421639 ZEGRQBRWMXVTMM-UHFFFAOYSA-N 424.482 3.060 0 40 HGAB COc1cccc(-n2cc(C(=O)O)c3c2[C@H](c2ccc(C(=O)O)cc2)CC(=O)N3)c1 49547079 KMLIFEXQMGXIRY-INIZCTEOSA-N 406.394 3.356 0 40 HGAB COC(=O)Nc1cccc(OC(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)c1 51901985 QQGZMFJFUMMMHA-UHFFFAOYSA-N 404.728 3.304 0 40 HGAB COc1ccc(Cn2nnnc2[C@H](C(C)C)N2CCN(c3ccccc3F)CC2)cc1 57671040 SPTMLQGCKPFBGI-QFIPXVFZSA-N 424.524 3.388 0 40 HGAB O=C(CNCc1ccc(Cl)cc1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 58445853 VIUXMUPIJXKDIP-UHFFFAOYSA-N 421.950 3.243 0 40 HGAB CN(c1ccc(NC(=O)[C@@H]2CCCCN2S(C)(=O)=O)cc1F)C1CCCCC1 71932126 UAMPDZCFCUGJRW-IBGZPJMESA-N 411.543 3.347 0 40 HGAB CC(C)c1nnc(CCC(=O)Nc2ccc3c(ccn3CCN3CCOCC3)c2)o1 72309557 HEPOALKBODFAMI-UHFFFAOYSA-N 411.506 3.051 0 40 HGAB Cc1nc(CN2CCN(C(=O)Nc3cccc(OC[C@H]4CCCO4)c3)CC2)oc1C 89558357 HAJLNHKJDXDIKV-HXUWFJFHSA-N 414.506 3.199 0 40 HGAB CC(C)(C)CN(C[C@H](O)c1ccccc1)S(=O)(=O)c1ccc2c(c1)OCCO2 95461971 ZHPGQDCXHOEXFU-SFHVURJKSA-N 405.516 3.228 0 40 HGAB CN(C)CCCNC(=O)c1cc2c(c3ccccc3n2CC2CC2)n1-c1ncccn1 96037447 YEXYFOLPHKOLNY-UHFFFAOYSA-N 416.529 3.467 0 40 HGAB O=C(Cn1ccc2ccccc21)N1CCC(S(=O)(=O)c2ccc(F)cc2)CC1 96104131 RZEHZMDZPRTKOK-UHFFFAOYSA-N 400.475 3.245 0 40 HGAB Cc1ccc2nc(CO[C@H]3CN(Cc4ccc(S(C)(=O)=O)cc4)C[C@H]3F)[nH]c2c1 96112324 AJGYOUYKOPNVGO-XLIONFOSSA-N 417.506 3.014 0 40 HGAB biogenic,in-vitro COc1ccc([C@H]2[C@@H]3C(=O)N(c4cccc5ccccc45)C(=O)[C@H]3N3CCCN23)cc1 100122138 FNIWUJASFHKNMA-VABKMULXSA-N 413.477 3.384 0 40 HGAB COc1cccc2c1O[C@@]1(C)C[C@H]2[C@H](S(=O)(=O)c2ccc(C(C)C)cc2)C(=O)N1 100894828 OAYRAZLHULNSPC-AGHHOFFYSA-N 415.511 3.373 0 40 HGAB NC(=O)c1c(NC(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)O)sc2c1CCc1ccccc1-2 102334772 PRHHEYSSZNRQCJ-APYUEPQZSA-N 410.495 3.298 0 40 HGAB COc1ccc(OC)c(CN2[C@H]3CC[C@H]2CC(NS(=O)(=O)c2ccccc2)C3)c1 103213061 PJTUYXGGPKBSPR-OALUTQOASA-N 416.543 3.178 0 40 HGAB COC(=O)c1ccc([C@H]2c3sc(=O)[nH]c3S[C@@H]3[C@H]4C[C@H](C=O)[C@@H](C4)[C@H]23)cc1 104517267 CNBSFPUPNCMFJA-VIAGDVCTSA-N 401.509 3.300 0 40 HGAB CC(C)c1ccc(CCCNC(=O)[C@H]2CN(S(C)(=O)=O)c3ccccc3O2)cc1 219271565 RTJVGVAOZGZMIJ-OAQYLSRUSA-N 416.543 3.086 0 40 HGAB Cc1cc(C)cc(N(CCCC(=O)N2CCc3ccccc3C2)S(C)(=O)=O)c1 222566526 RZASJQXKATWPIF-UHFFFAOYSA-N 400.544 3.435 0 40 HGAB COc1ccc(-c2noc(CNC(=O)CSCc3ccccc3F)n2)c(OC)c1 222712950 UIKRMQFMQOBEOI-UHFFFAOYSA-N 417.462 3.443 0 40 HGAB CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N[C@@H]1CCCc2ccccc21 223147144 BTRRZJCGLFDABD-RTWAWAEBSA-N 416.543 3.434 0 40 HGAB CCc1ccc(N(CC(=O)N[C@@H](C)c2ccc3c(c2)CCC3)S(C)(=O)=O)cc1 223174937 LFLKAJXROFQNMZ-INIZCTEOSA-N 400.544 3.381 0 40 HGAB COCCn1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCN(C)C)c1C 223222891 CWQPCVQWJQXCKH-SFTDATJTSA-N 415.607 3.071 0 40 HGAB CCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CCc1ccc(OC)c(OC)c1 223629396 QZNCHRQSINMJIP-GOSISDBHSA-N 412.530 3.498 0 40 HGAB COCCNC(=O)c1cc(N(C)S(=O)(=O)c2ccc(Cl)cc2)ccc1Cl 224345748 LYYGJBYLFLDRJD-UHFFFAOYSA-N 417.314 3.195 0 40 HGAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)N(C)c2cccc(OC)c2)cc1C 226065547 AKQRHNPRRZGBLZ-UHFFFAOYSA-N 420.531 3.076 0 40 HGAB CC(=O)N1[C@@H]2CN(C(=O)CN(C)Cc3ccc(F)cc3)[C@@H]3CCCC[C@H]1[C@]3(C)C2 257276208 NSUGVYWFZSHWBT-OQLXKQOESA-N 401.526 3.038 0 40 HGAB CC(=O)N1CC[C@@H]2[C@@H](CCCCN2C(=O)c2ccc(OCCN3CCCC3)cc2)C1 257334058 YEIMKJAEFSTJFT-JTHBVZDNSA-N 413.562 3.024 0 40 HGAB CCc1ccc(N(CC(=O)N[C@H](C)c2ccc3c(c2)CCC3)S(C)(=O)=O)cc1 260930920 LFLKAJXROFQNMZ-MRXNPFEDSA-N 400.544 3.381 0 40 HGAB CN1CC[C@H](COCc2ccncc2)CC12CN(C(=O)c1cc3ccccc3[nH]1)C2 306126572 DZEXMLFFIWTKHI-IBGZPJMESA-N 404.514 3.316 0 40 HGAB O=S1(=O)CCN(S(=O)(=O)c2ccc(Cl)s2)CC[C@@H]1c1cccs1 390832352 YWHIKOBQEREPQB-LLVKDONJSA-N 411.979 3.014 0 40 HGAB COc1ccc(Cl)cc1S(=O)(=O)N(CC(=O)NC(C)(C)C)Cc1ccccc1 408624415 UJCZGABHWYQLPC-UHFFFAOYSA-N 424.950 3.454 0 40 HGAB COc1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccc(C)cc3)[C@H]2c2ccccc2)cc1 409057900 MTRKSCGQRZOFPK-WFZBXURCSA-O 414.485 3.020 0 40 HGAB Cc1cc(C(=O)N[C@H]2CC3(CCN(C)CC3)Oc3ccccc32)c2c(C)n[nH]c2n1 510702326 MLVORIKDCOUHEO-SFHVURJKSA-N 405.502 3.293 0 40 HGAB O=C(CCC(=O)N1CCC(c2ccccc2)=N1)N1CCO[C@@]2(CCc3ccccc32)C1 511012352 GWHXVXUVVHUEJD-VWLOTQADSA-N 417.509 3.104 0 40 HGAB Cc1n[nH]c(C)c1NC(=O)CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]12 524734794 PDWXPEVNLNGYSZ-OAQYLSRUSA-N 415.453 3.170 0 40 HGAB biogenic Cc1cccc(Nc2cc(C)nc([C@H]3CCCCN3C(=O)/C=C/c3cnn(C)c3)n2)n1 585290302 ACOQCCLFARYEIK-GNISGLHKSA-N 417.517 3.733 0 40 HGAB Cn1c(C2CCN(C(=O)NC[C@@H]3COc4ccccc4O3)CC2)nc2ccccc21 604418713 OLTIXIIQZCMFJH-QGZVFWFLSA-N 406.486 3.302 0 40 HGAB O=C(NC[C@H]1COc2ccccc2O1)N1CCCC2=C[C@H]3C[C@@H](CN4CCCC[C@H]34)[C@@H]21 1547201618 BFELMUXVWRRXHS-GUJLLPCUSA-N 423.557 3.431 0 40 HGAB COc1ccc2cc([C@@H](c3nnnn3C(C)(C)C)N3CCCCCC3)c(=O)[nH]c2c1 1222758 DHAXHPQNPBUGTD-IBGZPJMESA-N 410.522 3.244 0 40 HGAB Cc1ccc(-c2nn(C)c(=O)c3ccccc23)cc1S(=O)(=O)NCc1ccccc1 2240231 XCVZAMQBYFBVPL-UHFFFAOYSA-N 419.506 3.387 0 40 HGAB CN(C)CCCNC(=O)c1nc2c3c4c(sc3ncn2n1)C[C@H](C(C)(C)C)CC4 2440661 WDBMLXLVXJYLFY-CYBMUJFWSA-N 414.579 3.172 0 40 HGAB CCOC(=O)c1ccsc1NC(=O)c1ccc(S(=O)(=O)N(CC)CC)cc1 3170248 XKSLBSHJLCDUJO-UHFFFAOYSA-N 410.517 3.208 0 40 HGAB CC1CCN(C(=O)[C@@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc(F)cc2)CC1 3234062 DNQYAIZVQZKJTP-NRFANRHFSA-N 416.518 3.200 0 40 HGAB CCOC(=O)c1ccccc1NC(=O)COC(=O)/C=C/c1ccc(OC)c(OC)c1 3378129 UWTNHJRITCQTFD-ZRDIBKRKSA-N 413.426 3.076 0 40 HGAB COCCNC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1 3457119 QYQQPOLTRJGEEE-UHFFFAOYSA-N 402.907 3.442 0 40 HGAB Cc1ccc(S(=O)(=O)CCC(=O)OCC(=O)C23CC4CC(CC(C4)C2)C3)cc1 4469047 VVHCJCCFIDIGIF-UHFFFAOYSA-N 404.528 3.488 0 40 HGAB Cc1cccc(C)c1NC(=O)CSc1nn2c(=O)c(C(C)(C)C)nnc2s1 4569852 QKLXSJYZWMEXHE-UHFFFAOYSA-N 403.533 3.191 0 40 HGAB CC(=O)c1cccc(NC(=O)CSc2nnc(-c3ccc4c(c3)OCO4)n2C)c1 4736400 ZMDMFKOPQZGDLG-UHFFFAOYSA-N 410.455 3.144 0 40 HGAB CC(C)(C)NC(=O)c1ccc2c(c1)N(CC(=O)OCc1ccccc1)C(=O)C(C)(C)O2 4965724 ASCRSQGFJSIZMJ-UHFFFAOYSA-N 424.497 3.462 0 40 HGAB C[C@@H](CCc1ccccc1)NC(=O)Cn1nnc(-c2ccc(Br)cc2)n1 5255724 AVFFFQISRDSEHT-AWEZNQCLSA-N 414.307 3.240 0 40 HGAB O=C(/C=C/c1ccc(OC(F)F)cc1)O[C@H](C(=O)N1CCOCC1)c1ccccc1 5474582 XNVCJSRLUWLOCM-ZBWUASRJSA-N 417.408 3.445 0 40 HGAB CCOc1cccc(/C=C2/SC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)c1O 5980587 UNHMHZMQSOGJDR-OQLLNIDSSA-N 403.412 3.407 0 40 HGAB C[C@H]1CCc2sc3c(c2C1)c(=O)n(CC(=O)O)c(=O)n3Cc1ccc(Cl)cc1 6759972 JOKCJOVFKLPGGN-NSHDSACASA-N 418.902 3.136 0 40 HGAB CN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)cc1 7079359 QLFFGWSTOJENHR-MOPGFXCFSA-N 416.499 3.341 0 40 HGAB O=C(COc1ccc(-n2cnnn2)cc1)N[C@@H](c1ccc(F)cc1)c1cccs1 8327304 MNEFJBBITNDBAQ-FQEVSTJZSA-N 409.446 3.148 0 40 HGAB CCOc1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccc(C(C)=O)cc2)cc1 8416811 MICAEBAHZVHZAX-UHFFFAOYSA-N 412.442 3.189 0 40 HGAB CC[C@@H](Oc1ccccc1OC)C(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 8478347 WWCIRWUJMJQKKJ-QFBILLFUSA-N 412.486 3.400 0 40 HGAB Cn1c(=O)n(Cc2cccc(Cl)c2)c(=O)c2c1nc1n2CCCN1c1ccccc1 9210742 QURGIZTWMZJONT-UHFFFAOYSA-N 421.888 3.140 0 40 HGAB O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1cc2cc(F)ccc2s1 9587780 MPGGDUJXAJIZPW-UHFFFAOYSA-N 420.487 3.314 0 40 HGAB O=C(CCCNC(=O)c1ccsc1)Nc1cccc(Cl)c1N1CCOCC1 9906754 NSVLOHRJJMCQKL-UHFFFAOYSA-N 407.923 3.387 0 40 HGAB CCCCOc1ccc(C(=O)Nn2cnc3c(cnn3-c3ccccc3)c2=O)cc1 10251124 MNINEGFECSMGJW-UHFFFAOYSA-N 403.442 3.145 0 40 HGAB Oc1nnc(-c2ccco2)c2c1Nc1nnnn1[C@@H]2c1ccc(Cl)cc1Cl 10297558 VDGXABYZDVLXCO-CQSZACIVSA-N 402.201 3.430 0 40 HGAB CC(C)C(=O)OCC(=O)Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl 11078869 YKIYFESXVYPREA-UHFFFAOYSA-N 416.927 3.042 0 40 HGAB Cc1ccccc1-n1c(SC[C@H]2COc3ccccc3O2)nnc1N1CCOCC1 12516582 HLEZNWGJKJYJMT-QGZVFWFLSA-N 424.526 3.344 0 40 HGAB Cc1ccc(C(=O)N(C)c2ccc(OCC(=O)NCCCn3ccnc3)cc2)cc1 12600090 YXJDKFOFEZUXFR-UHFFFAOYSA-N 406.486 3.053 0 40 HGAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1cc(C2CC2)nc2onc(C)c12 12821151 DPUOZMGEDSGFJG-UHFFFAOYSA-N 411.414 3.465 0 40 HGAB Cc1cc(-c2csc(NC(=O)CCN3C(=O)[C@H]4CCCC[C@@H]4C3=O)n2)c(C)n1C 13042307 AMZMDVHNICPKDT-GJZGRUSLSA-N 414.531 3.269 0 40 HGAB O=C(c1ccco1)N1CCC(NS(=O)(=O)c2cc(Cl)ccc2Cl)CC1 14167552 QTWSZUQSFYALJO-UHFFFAOYSA-N 403.287 3.170 0 40 HGAB Cc1ccc2c(COC(=O)C[C@@H](NC(N)=O)c3cccs3)cc(=O)oc2c1C 14409029 VGTJIWSFEWFDEV-OAHLLOKOSA-N 400.456 3.314 0 40 HGAB Cc1nc(COc2ccc(C(=O)OCC(=O)Nc3cc(F)ccc3F)cc2)no1 14802698 DYHZRNMJKVPODM-UHFFFAOYSA-N 403.341 3.031 0 40 HGAB CC(=O)N1CCc2cc(S(=O)(=O)NCCOc3ccc(C(C)(C)C)cc3)ccc21 15332175 ALOSGZJQJPAFBA-UHFFFAOYSA-N 416.543 3.250 0 40 HGAB CCCS(=O)(=O)N1CCCc2cc(NC(=O)c3ccc4c(c3)OCO4)ccc21 16837500 WJWJJYUIGXKJQX-UHFFFAOYSA-N 402.472 3.160 0 40 HGAB Cc1ccc(Cl)c(OCC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1 17082566 BCFDCFHDMFSOQB-UHFFFAOYSA-N 402.878 3.100 0 40 HGAB COc1ccc(OC)c(Nc2nc(NC[C@@H](C)O)nc3c2cnn3-c2ccccc2)c1 17113793 GVUWHWKSEPZJMC-CQSZACIVSA-N 420.473 3.369 0 40 HGAB COc1cccc(CN2C[C@@H](c3ccc(NC(C)=O)cc3)[C@@]3(CCCC(=O)N3)C2)c1 19022639 CQHRIBRSEPAKAZ-LADGPHEKSA-N 407.514 3.292 0 40 HGAB COc1cc(CCC(=O)N2CCC[C@H]2c2nc(C)ncc2-c2ccncc2C)on1 19239813 RXHLYQGPJPEIMP-IBGZPJMESA-N 407.474 3.448 0 40 HGAB CC(C)n1cnc2cc(C(=O)N3CCO[C@@H](c4nc(-c5cccnc5)no4)C3)ccc21 19455000 NFXOENOVTIFLKI-LJQANCHMSA-N 418.457 3.276 0 40 HGAB COc1ccc2c(c1)C(=O)N[C@@]1(CC2)CCN([C@@H](C)Cc2ccc(OC)c(OC)c2)C1 19456763 QTGUMDXHONAXJW-GKVSMKOHSA-N 424.541 3.464 0 40 HGAB COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1cnc(N2CCC[C@H](C)C2)nc1)CC3 19496644 ZILOLCOWDOJRAW-HNNXBMFYSA-N 405.502 3.401 0 40 HGAB COc1cc2sc(NC(=O)[C@@H]3CC(=O)N(Cc4ccncc4)C3)nc2cc1Cl 19550658 OCCNWSPCHJXQAE-GFCCVEGCSA-N 416.890 3.341 0 40 HGAB CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1ccc(S(N)(=O)=O)cc1 19599430 YHTGLUOSEMGTKZ-UHFFFAOYSA-N 401.315 3.232 0 40 HGAB Cc1nc2ccccc2c(=O)n1CC(=O)NC[C@H](c1ccc(F)cc1)N1CCCCC1 19664920 CDRIFTHTEYDSFJ-JOCHJYFZSA-N 422.504 3.187 0 40 HGAB CN(C)S(=O)(=O)N(CC(=O)Nc1ccc2ccccc2c1)c1ccc(F)cc1 20245066 CHRBZFKBZPQUQM-UHFFFAOYSA-N 401.463 3.230 0 40 HGAB CCOC(=O)c1ccc(NC(=O)[C@@H](C)N(c2ccccc2)S(C)(=O)=O)cc1Cl 20451204 CWEVXYRZKAIWET-CYBMUJFWSA-N 424.906 3.310 0 40 HGAB CC(C)C[C@@H](NC(=O)[C@@H]1CN(S(C)(=O)=O)c2ccccc2O1)c1ccccc1 22527847 ICWZBGRJUOGBCI-XLIONFOSSA-N 402.516 3.117 0 40 HGAB O=S(=O)(Cc1ccccc1)N1CCN(Cc2nc(-c3ccccc3)cs2)CC1 23145015 HELZZWGGQARNLB-UHFFFAOYSA-N 413.568 3.458 0 40 HGAB COC(=O)c1cc(NC(=O)c2nn(-c3ccccc3)c3c2CCC3)cc(C(=O)OC)c1 24750268 GRCUOLQUACXSMD-UHFFFAOYSA-N 419.437 3.187 0 40 HGAB O=C(CN1c2cccc3cccc(c23)S1(=O)=O)Nc1cccc(Cn2ccnc2)c1 25174736 PVKXXOJRWUOKAY-UHFFFAOYSA-N 418.478 3.232 0 40 HGAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccccc3)C2)cc1C 30328579 HNYAPYIYTFKEQI-QGZVFWFLSA-N 402.516 3.433 0 40 HGAB CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1cc(C(=O)OC)ccc1C(=O)OC 30847468 CTHYWCFOAZJYBV-GOSISDBHSA-N 401.415 3.065 0 40 HGAB O=C(NC(=S)Nc1ccc(N2CCOCC2)c(Cl)c1)c1ccc2c(c1)OCO2 32127591 OYMBICRKACIRQQ-UHFFFAOYSA-N 419.890 3.032 0 40 HGAB Cn1cccc1C(=O)COC(=O)[C@H]1CCCN1c1ncc(C(F)(F)F)cc1Cl 32933364 RMZPEMFUFGTMDI-CQSZACIVSA-N 415.799 3.487 0 40 HGAB COc1ccccc1N1CCN(Cc2ccc(C(=O)NCc3cccnc3)cc2)CC1 34668505 VAZSXCWOJWAIEI-UHFFFAOYSA-N 416.525 3.342 0 40 HGAB CCOc1ccc(S(=O)(=O)NCCCN2CCO[C@@H](c3ccccc3)C2)cc1C 36700307 YAZOCIPNJPNOHA-JOCHJYFZSA-N 418.559 3.136 0 40 HGAB COc1ccc(CCN(C)C(=O)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1OC 40009568 NZKGHZVQXSSHFU-KRWDZBQOSA-N 406.523 3.352 0 40 HGAB CCN(CC)S(=O)(=O)c1cc(C(=O)N(CCOC)CC(C)C)ccc1Cl 40071039 ULNYROPRTQHFAK-UHFFFAOYSA-N 404.960 3.115 0 40 HGAB Cc1cc(F)ccc1S(=O)(=O)NCC1CCN(C(=O)Oc2ccccc2)CC1 43957080 UZTUKPKUEATNRA-UHFFFAOYSA-N 406.479 3.323 0 40 HGAB O=C(CCCc1nc(-c2cccs2)no1)NC1CCN(C(=O)c2ccoc2)CC1 48248066 XWEUSXXNXWBQGV-UHFFFAOYSA-N 414.487 3.135 0 40 HGAB Cc1ccc([C@@H]2NC(=O)N(CC(=O)Nc3ccc(C)cc3C)C3=C2C(=O)OC3)cc1 49402870 WBXUIZHAYDCGIR-NRFANRHFSA-N 405.454 3.128 0 40 HGAB CCc1ccc(N2C[C@@H](C(=O)N3CCC(NC(=O)OC(C)(C)C)CC3)CC2=O)cc1 53774242 PNKZSKYQXSOOKO-KRWDZBQOSA-N 415.534 3.118 0 40 HGAB COc1ccc(CNC(=O)CN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 57411256 MXDMBEARGGXOQV-UHFFFAOYSA-N 407.436 3.152 0 40 HGAB CCN1C[C@@H](CN(C)Cc2nc3sc4c(c3c(=O)[nH]2)CCC4)Oc2ccccc21 57531672 TXQBJXJANPBBHP-CQSZACIVSA-N 410.543 3.193 0 40 HGAB CCCN(CCC)S(=O)(=O)N1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 58162471 WLFCZGJYTPASNE-INIZCTEOSA-N 410.515 3.422 0 40 HGAB COc1ccc(-c2cc3nn(CC(=O)Nc4ccccc4Cl)c(=O)n3c(C)n2)cc1 67226522 DGZZGHLNRNSWKP-UHFFFAOYSA-N 423.860 3.167 0 40 HGAB Cc1noc(C)c1S(=O)(=O)N1CCC2(CC1)C[C@H]2c1nnc(-c2ccccc2)o1 71889635 ZVNYBURLXHTZOE-INIZCTEOSA-N 414.487 3.300 0 40 HGAB O=C1N[C@]2(CC[C@@H]3CN(C(=O)Cc4c[nH]c5ccccc45)C[C@@H]32)Nc2ccccc21 72326868 RUUOQTLCGXHTQE-YIEPVFBUSA-N 400.482 3.131 0 40 HGAB CC(=O)NCc1cnc([C@H]2CCCN2C(=O)c2scnc2C)cc1C(F)(F)F 72356179 NPYYXLJPRSNSGM-OAHLLOKOSA-N 412.437 3.479 0 40 HGAB CC(C)C[C@@H](C(=O)Nc1ccc(Cn2cncn2)cc1)N1Cc2ccccc2C1=O 72400336 YHUDUZQSSSVXOS-NRFANRHFSA-N 403.486 3.336 0 40 HGAB COc1cc(CCC(=O)N(Cc2ccco2)C[C@H]2CCCO2)cc(OC)c1OC 78698694 UXFJCUQDIYJQAM-GOSISDBHSA-N 403.475 3.446 0 40 HGAB COc1ccc(CCc2nc(NC(=O)CCc3ccc4c(c3)CCO4)n[nH]2)cc1OC 79483382 AWUPLUNEQBWDEJ-UHFFFAOYSA-N 422.485 3.113 0 40 HGAB COC(=O)c1cccc(S(=O)(=O)Nc2ccc(C)cc2SCCC(=O)O)c1 95941736 GQHHZVDTEKUZHG-UHFFFAOYSA-N 409.485 3.149 0 40 HGAB O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CC(c2nc(-c3ccco3)no2)C1 96024318 TYYSTMHPVJYCBV-UHFFFAOYSA-N 415.349 3.016 0 40 HGAB COc1ccc(CC(=O)NC2CCN(c3cc(-c4ccccc4)n[nH]3)CC2)cc1OC 98212577 HVHVKGBOCABTHI-UHFFFAOYSA-N 420.513 3.422 0 40 HGAB CC(C)N1CCC(c2cc(O)n3nc([C@H]4CCCN4C(=O)[C@@H]4C[C@H]4C)cc3n2)CC1 100213151 BGBDTQYDNVHUAY-WRWLIDTKSA-N 411.550 3.342 0 40 HGAB COC(=O)Cn1/c(=N/C(=O)c2ccc3ncsc3c2)sc2cc(OC)ccc21 100877127 ACRLOUNYZCCZSL-VZCXRCSSSA-N 413.480 3.235 0 40 HGAB CCOc1ccccc1NC(=O)CCCN(c1cccc(OC)c1)S(C)(=O)=O 113966449 OFWCRRGRXSWUMP-UHFFFAOYSA-N 406.504 3.279 0 40 HGAB C[C@H]1CCC[C@H](C)N1S(=O)(=O)c1ccc(NC(=O)CN2CCC[C@@H](C)C2)cc1 169294106 KBGUYTKESWMCLC-SQNIBIBYSA-N 407.580 3.309 0 40 HGAB CS(=O)(=O)N(Cc1ccc(C(=O)Nc2ccccc2C(N)=O)cc1)c1ccccc1 197512303 DTERJYOJXAIIJE-UHFFFAOYSA-N 423.494 3.004 0 40 HGAB COC(=O)[C@@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)Cc1c(F)cccc1Cl 206800974 VEVRKPAPLYXBLO-PXAZEXFGSA-N 409.816 3.382 0 40 HGAB O=C(CCCN1C(=O)c2ccccc2C1=O)NCCCN1CCCc2ccccc21 219141113 FDYIZJLGVFQXEQ-UHFFFAOYSA-N 405.498 3.022 0 40 HGAB CCOc1ccc(N([C@H](CC)C(=O)NCCCc2ccccc2)S(C)(=O)=O)cc1 220677041 YBOQUFCDKUAEJR-OAQYLSRUSA-N 418.559 3.379 0 40 HGAB Cc1ccc2c(c1)[C@@H](NC(=O)c1cccc(N(C)S(C)(=O)=O)c1)CC(C)(C)O2 222422497 RPHGDJLMKDBDJV-SFHVURJKSA-N 402.516 3.423 0 40 HGAB CC1=NS(=O)(=O)c2cc(C(=O)N3CCc4ccccc4C3)ccc2N1CC(C)C 223121522 VPMGAEXOFVCOKM-UHFFFAOYSA-N 411.527 3.468 0 40 HGAB S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2Cc2cccnc2)N1C[C@@H]1CCCO1 223302451 QVKPNDCMSOKWDZ-NYVOZVTQSA-N 419.554 3.478 0 40 HGAB CCn1c(=O)oc2cc(S(=O)(=O)Nc3ccc(OC)c4ncccc34)c(C)cc21 223359151 GHWVUCHOTXHCFG-UHFFFAOYSA-N 413.455 3.280 0 40 HGAB COC[C@H](C)Nc1ccc(C(=O)OC)cc1S(=O)(=O)Nc1ccc(Cl)cc1 223417050 YIVKCKNFZYWDFC-LBPRGKRZSA-N 412.895 3.374 0 40 HGAB COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccco2)cc1 225204188 VCGVEQFGILOVMH-PMACEKPBSA-N 408.483 3.437 0 40 HGAB CC[C@H](NS(=O)(=O)c1ccc2c(c1)CCN2C(C)=O)c1ccc(OC)c(C)c1 225742832 OGKZCEJZGJFNNV-IBGZPJMESA-N 402.516 3.342 0 40 HGAB Cc1ccc(C)c(S(=O)(=O)N2CCC(C(=O)N(C)Cc3ccccc3)CC2)c1 225926339 DMKSDESEJAGKRI-UHFFFAOYSA-N 400.544 3.363 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N(C)c3ccccc3)C2)cc1C 260752414 YJTWGTOVJZKLMJ-KRWDZBQOSA-N 402.516 3.067 0 40 HGAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)NC[C@H]3CCCO3)ccc2Cl)c1 408545413 LGOFWGDAOAGKHV-MRXNPFEDSA-N 408.907 3.358 0 40 HGAB Cc1cc(S(=O)(=O)N2CCCCC2)ccc1OCC(=O)N(C)Cc1ccccc1 408562686 RKAJCTBNXPABPY-UHFFFAOYSA-N 416.543 3.207 0 40 HGAB Cc1ccc(C)n1NC(=O)c1cccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)c1 408683258 KXIMOPNXNKABQN-POHNSKBLSA-N 401.466 3.046 0 40 HGAB Cc1ccccc1/C=[N+]1\NC(=O)[C@H](NC(=O)c2ccc(F)cc2)[C@H]1c1ccccc1 409062308 RMXPIMUBOBJMOX-KSYIGNPDSA-O 402.449 3.150 0 40 HGAB CCCCCNC(=O)COc1ccc(S(=O)(=O)NCc2ccccc2)cc1C 409392581 RQTBNMUEISCTGM-UHFFFAOYSA-N 404.532 3.159 0 40 HGAB O=C1c2ccccc2C(=O)N1[C@H]1CCCC[C@H](NCc2nnc3n2CCCCC3)C1 533549927 KOGSQAMXAGJWMJ-IRXDYDNUSA-N 407.518 3.092 0 40 HGAB Cc1ccc(Cl)c(OC[C@@]2(O)CCCN(CC(=O)NCc3cccc(F)c3)C2)c1 585271629 BDUYHEKKRVVDTJ-JOCHJYFZSA-N 420.912 3.310 0 40 HGAB O=C(NC[C@H]1COc2ccccc2O1)N1CCCC2=C[C@H]3C[C@@H](CN4CCCC[C@@H]34)[C@@H]21 604404287 BFELMUXVWRRXHS-IUVFILBMSA-N 423.557 3.431 0 40 HGAB C=CC(=O)Nc1cccc(C(=O)N2CCC(n3cc(Br)cn3)CC2)c1 1585065685 GGJQZTRAWBJCCJ-UHFFFAOYSA-N 403.280 3.247 0 40 HGAB CN(C(=O)c1cncc(N2CCCC2)n1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O 1633247287 WSIYFPIVIAVPOI-FUHWJXTLSA-N 407.301 3.114 0 40 HGAB Brc1cnc(OC[C@@H]2CCCN(Cc3nc4c(s3)CCC4)C2)nc1 1775996021 RIYZUUVDPHFUMS-GFCCVEGCSA-N 409.353 3.475 0 40 HGAB COc1ccccc1OCC(=O)N1[C@H]2CC[C@H]1CC(n1cc(Br)cn1)C2 1776009374 XTYGGTMZCMYMRF-GJZGRUSLSA-N 420.307 3.428 0 40 HGAB COC(=O)COc1ccc2c(c1)O[C@]1(C[C@H]2c2ccccc2)CC(C)(C)NC(=O)N1 1441215 ZYXVYFSJLKFHCH-FDDCHVKYSA-N 410.470 3.331 0 40 HGAB CN(C)CCCn1c(=O)n(Cc2ccco2)c(=O)c2c3c(sc21)CCCCC3 2431081 PAPWCQSIBFKARS-UHFFFAOYSA-N 401.532 3.087 0 40 HGAB O=C(O)[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1cccc(Cl)c1Cl 3279590 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O[C@H](COC(c1ccccc1)c1ccccc1)CN1CCN(c2ccccn2)CC1 6440919 IEGXBGGRCBAVOS-QHCPKHFHSA-N 403.526 3.371 0 40 HGAB O=C(COc1ccc(F)cc1Cl)Nc1cccc(S(=O)(=O)N2CCCC2)c1 6552927 SIFBXYBALIDPAQ-UHFFFAOYSA-N 412.870 3.281 0 40 HGAB CC1CCC2(CC1)NC(=O)N(CC(=O)c1ccc(CNC(=O)C(C)(C)C)s1)C2=O 7426871 VJHDGXRNIPYSPW-UHFFFAOYSA-N 419.547 3.094 0 40 HGAB CC(C)c1cccc(C(C)C)c1NC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 7668721 NLUDJTLTGHRLJN-OAHLLOKOSA-N 419.547 3.037 0 40 HGAB Cc1ccc(N2C[C@@H](C(=O)Oc3ccc(N4C(=O)CCC4=O)c(C)c3)CC2=O)cc1C 7928586 SQWLINBOTHFXRH-KRWDZBQOSA-N 420.465 3.224 0 40 HGAB O=C(N[C@H](NC(=S)Nc1ccccc1O)C(Cl)(Cl)Cl)c1ccco1 8683132 SAWAEFODFFUBQX-GFCCVEGCSA-N 408.694 3.398 0 40 HGAB CCCNC(=O)CN(C)C(=O)c1cn(-c2ccc(F)cc2)nc1-c1cccc(OC)c1 8772527 NXWZBQSPWXQWHT-UHFFFAOYSA-N 424.476 3.285 0 40 HGAB CCCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3C)cc1 8962437 JALBWQFSYZNKLX-UHFFFAOYSA-N 401.488 3.135 0 40 HGAB O=C(Nc1ccc(F)cc1)[C@H](Sc1nnnn1C[C@H]1CCCO1)c1ccccc1 9255362 BWLWZISEVCNXRH-QZTJIDSGSA-N 413.478 3.463 0 40 HGAB COc1cc(-c2nnc3sc(-c4cc(CC(C)C)n[nH]4)nn23)cc(OC)c1OC 9421442 AHYPTBHDWRIMOE-UHFFFAOYSA-N 414.491 3.467 0 40 HGAB Cc1cccc(-c2nc3scc(CCNC(=O)C(=O)Nc4ccccc4F)n3n2)c1 9569081 ZGLJYQWQKDLSMA-UHFFFAOYSA-N 423.473 3.203 0 40 HGAB CC(=O)C[C@]1(O)C(=O)N(CCOc2ccc(C)cc2)c2ccc(Br)cc21 9872909 UMEHJRLTMYGGQD-HXUWFJFHSA-N 418.287 3.350 0 40 HGAB O=C(NCc1cccs1)C(=O)NC[C@@H](c1cccc2ccccc12)N1CCCC1 10334025 FTJCINLBOKTOTD-NRFANRHFSA-N 407.539 3.471 0 40 HGAB O=C(NCCCN1C(=O)NC2(CCCC2)C1=O)c1ccc(Oc2ccccc2)cc1 10425740 NXSGBLVIHKCBEQ-UHFFFAOYSA-N 407.470 3.463 0 40 HGAB O=C(CSc1ccc(-c2ccc3c(c2)OCO3)nn1)Nc1ccc2c(c1)OCCO2 11025565 SUACVOKLOUSCOI-UHFFFAOYSA-N 423.450 3.374 0 40 HGAB Cc1sc2ncn(CC(=O)Nc3cc4c(cc3Cl)OCCO4)c(=O)c2c1C 11236079 UPQMFXKPUJYHOR-UHFFFAOYSA-N 405.863 3.138 0 40 HGAB O=C(NCCNc1ccc(Nc2ccccn2)nn1)c1ccc(C(F)(F)F)cc1 11697357 HVHYUQATEUZKED-UHFFFAOYSA-N 402.380 3.476 0 40 HGAB C[C@H](Sc1ccccn1)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 11710221 KXQVJZBFBGPUEO-HNNXBMFYSA-N 405.545 3.376 0 40 HGAB CN(C)c1nc2c(c(N(C)CCc3ccccn3)n1)CCN(Cc1ccccc1)C2 12142763 DCCOVTDNAVQPPG-UHFFFAOYSA-N 402.546 3.175 0 40 HGAB COc1ccc([C@@H](O)CN2CCC(NC(C)=O)(c3ccccc3F)CC2)cc1OC 12188405 XJAXBXCLPMQPBW-FQEVSTJZSA-N 416.493 3.004 0 40 HGAB Cc1ccc(COc2cn(CC(=O)Nc3ccc4c(c3)OCO4)c(C)cc2=O)cc1 12230634 DPPYTYWEQOYURT-UHFFFAOYSA-N 406.438 3.412 0 40 HGAB COc1ccccc1N1C(=O)c2ccccc2N[C@@H]1c1ccc(OCC(N)=O)cc1 12552074 HNARNIFRLPUYKM-QFIPXVFZSA-N 403.438 3.330 0 40 HGAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1csc(-c2cccs2)n1 12789725 VWUSEOFXHPWOBS-UHFFFAOYSA-N 423.541 3.383 0 40 HGAB O=C(/C=C/c1cc(Cl)c2c(c1)OCO2)N1CCN(CCOc2ccccc2)CC1 12902231 AWQKIFYZMLANIT-VOTSOKGWSA-N 414.889 3.305 0 40 HGAB Cc1ccc2cc(CN(Cc3ccco3)C(=S)NC[C@H]3CCCO3)c(=O)[nH]c2c1 13554947 QWBGDTLPKIOGEH-GOSISDBHSA-N 411.527 3.485 0 40 HGAB COc1ccccc1CCNC(=O)c1sc2nc3n(c(=O)c2c1C)CCCCC3 15536712 SVWWCNPIQHWGIH-UHFFFAOYSA-N 411.527 3.474 0 40 HGAB Cc1ccc(C(=O)N2CCC[C@@H]2c2cc3nc4c(c(O)n3n2)CN(C(C)C)CC4)cc1 19135260 NBXUYSNTFSOESZ-OAQYLSRUSA-N 419.529 3.487 0 40 HGAB COc1ccc2cnc([C@H]3CCCN(C(=O)c4cnc(N(C)C)nc4)C3)cc2c1C 19582683 JIOFMXOABYROOH-KRWDZBQOSA-N 405.502 3.428 0 40 HGAB CCCCNC(=O)c1ccccc1NC(=O)c1ccc(NS(=O)(=O)CC)cc1 19886517 LDJITMALRLBLLO-UHFFFAOYSA-N 403.504 3.230 0 40 HGAB CCCNS(=O)(=O)c1ccc(CCC(=O)N[C@@H](C)c2ccc(OC)cc2)cc1 20024191 CANKZTCWXBQWIF-INIZCTEOSA-N 404.532 3.194 0 40 HGAB CC(C)CN1C(=O)[C@@]2(NC(=O)c3ccccc3O2)c2cc(Br)ccc21 20673484 RASHMVWAMGJPFU-LJQANCHMSA-N 401.260 3.427 0 40 HGAB COc1ccc(C(N)=O)c(OS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)c1 21473818 OYINGUFPYJSDGJ-UHFFFAOYSA-N 409.769 3.234 0 40 HGAB CCOc1ccc(N(CC(=O)N[C@H]2CCCc3ccccc32)S(C)(=O)=O)cc1 22333408 HRXWDIFHLKURQP-FQEVSTJZSA-N 402.516 3.045 0 40 HGAB O=C(CN1CCN(c2ccccn2)CC1)Nc1ccc2c(c1)OC1(CCCCC1)O2 24573150 JOHUMEXRWSGYFS-UHFFFAOYSA-N 408.502 3.274 0 40 HGAB Cc1ccc(S(=O)(=O)NCCNC(=O)c2cc(-c3ccc(Cl)cc3)on2)cc1 26672911 AWVXJLFBBROOEK-UHFFFAOYSA-N 419.890 3.012 0 40 HGAB O=C(NCCCN1CCOCC1)c1ccc(COc2ccccc2Br)o1 27971803 LYDDNYNXRYGOTG-UHFFFAOYSA-N 423.307 3.073 0 40 HGAB CCCn1c(=O)[nH]c(=O)c2c(C(=O)Nc3cccc4ncccc34)cc(C(C)C)nc21 32777802 UTDLXMBUQYJAQZ-UHFFFAOYSA-N 417.469 3.419 0 40 HGAB Cc1ccccc1NC(=O)Cn1nc(-c2cn(C)nc2C)cc1-c1cn(C)nc1C 36611579 NJNQSTBCILEHEN-UHFFFAOYSA-N 403.490 3.248 0 40 HGAB CN(Cc1ccco1)C(=O)CN1C(=O)N[C@@](C)(c2ccc(Cl)cc2Cl)C1=O 36820889 JEKRHSOGOZGTDP-SFHVURJKSA-N 410.257 3.012 0 40 HGAB C[C@H](CCc1ccc(O)cc1)NC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 40096813 DLKPGOFPPWSGPQ-MRXNPFEDSA-N 417.531 3.320 0 40 HGAB O=C(CCN1CCC(C(=O)NCCc2ccccc2F)CC1)Nc1ccccc1F 40120653 QLXHANBTVFPXBZ-UHFFFAOYSA-N 415.484 3.364 0 40 HGAB CCCn1c(=O)c2sccc2n2c(CCC(=O)NC3CCCCCC3)nnc12 45895880 PVNWJHNRWCFOPW-UHFFFAOYSA-N 401.536 3.287 0 40 HGAB O=C(CCS(=O)(=O)C1CCCC1)NCC1(c2ccc3c(c2)OCCO3)CCCC1 48301580 JVTXQRHMUHONOL-UHFFFAOYSA-N 421.559 3.133 0 40 HGAB Cc1cc(NC(=O)[C@@H](C)SCC(=O)N2CCC[C@@H]2CN(C)c2ccccc2)no1 58283354 PKXGCODGCWOWTB-SJLPKXTDSA-N 416.547 3.171 0 40 HGAB COC(=O)c1ccc2c(O)nc(/C(Cl)=C/c3cn(-c4ccccc4)nn3)nc2c1 58356128 PZDONRXMUJISIH-YBEGLDIGSA-N 407.817 3.440 0 40 HGAB CC[C@@H](C)NC(=O)Cn1c(=O)cc(-c2nc(-c3ccccn3)no2)c2ccccc21 67318590 DHOPVODJTWXBEH-CQSZACIVSA-N 403.442 3.028 0 40 HGAB O=C(NCc1cccnc1)c1ccc(NC(=O)N2CCN(c3ccccc3)CC2)cc1 71280817 UWWDCHZJRLGIHD-UHFFFAOYSA-N 415.497 3.366 0 40 HGAB Cc1nn(C(C)(C)C)c(C)c1S(=O)(=O)N1CC(OCCCc2ccccc2)C1 72313132 OSDDWGBTCWLERE-UHFFFAOYSA-N 405.564 3.277 0 40 HGAB Cc1cc(Cc2ccccc2F)cc([C@@H]2CCCN(C(=O)c3ccc(=O)[nH]n3)C2)n1 72356161 SCCZSVNPBOHKQV-GOSISDBHSA-N 406.461 3.223 0 40 HGAB CCOc1ccc2cc(CNc3ccc(N4CCN(C(C)=O)CC4)cc3)c(=O)[nH]c2c1 72396122 LGMMPBLPLBAKSX-UHFFFAOYSA-N 420.513 3.207 0 40 HGAB COc1ccccc1CCC(=O)N[C@H]1CCN(Cc2noc(-c3ccccc3)n2)C1 77100820 GCYVZWLKWMNJMZ-IBGZPJMESA-N 406.486 3.069 0 40 HGAB CC(=O)NCc1ccc(C(=O)N[C@@H]2CCCC[C@H]2CNC(=O)OC(C)(C)C)s1 78877534 PRDUFIOQCZGXDB-GOEBONIOSA-N 409.552 3.198 0 40 HGAB Cc1cc(NC(=O)c2sc3cccc(F)c3c2C)n([C@H]2CCS(=O)(=O)C2)n1 84102021 IXYJBHSBJXLURO-LBPRGKRZSA-N 407.492 3.466 0 40 HGAB C[C@H](CCc1cccn1C)NC(=O)c1cccc(-c2cnc3[nH]c(=O)n(C)c3c2)c1 95945816 KSZHSSRUWIWAAN-OAHLLOKOSA-N 403.486 3.018 0 40 HGAB CC(C)Cn1c(CCCNC(=O)c2ccc(-n3cnnn3)cc2)nc2ccccc21 96231742 OWTCCSUDEIOLJG-UHFFFAOYSA-N 403.490 3.031 0 40 HGAB CN1c2cc(C(=O)N3CCN(c4ccccc4F)CC3)ccc2C(=O)N2CCCC[C@@H]21 97139008 OEWGVSHWOUHQCQ-JOCHJYFZSA-N 422.504 3.190 0 40 HGAB CCOC(=S)SCC(=O)N1CCc2ccccc2[C@H]1C1C(=O)CC(C)CC1=O 103557802 PQTQTCRWLAKWJT-NVWHIDKOSA-N 419.568 3.351 0 40 HGAB COc1ccc(CCN2C[C@H](C(=O)N[C@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)CC2=O)cc1OC 105762642 VZRNCUCRNDYAFF-ZKIDJSGLSA-N 414.546 3.036 0 40 HGAB Cc1ccccc1NS(=O)(=O)c1ccc(OCC(=O)NCc2ccccc2)cc1 108009520 ITXIXVWQYILISI-UHFFFAOYSA-N 410.495 3.491 0 40 HGAB O=C(/C=C/c1ccc2c(c1)OCO2)Nc1cnn(C[C@H]2COc3ccccc3O2)c1 206839921 IOECILPUZFQLQV-JKNJVXJCSA-N 405.410 3.104 0 40 HGAB O=C(Nc1cnn(C[C@@H]2COc3ccccc3O2)c1)c1ccc(C(F)(F)F)nc1 206844085 FIIVPARZZVIJQF-CQSZACIVSA-N 404.348 3.389 0 40 HGAB CC[C@H](C(=O)N[C@H](C)COc1ccc(C)cc1)N(c1ccccc1)S(C)(=O)=O 219086043 JXPGPEOXCLGPRQ-YLJYHZDGSA-N 404.532 3.123 0 40 HGAB Cc1cccc(N([C@H](C)C(=O)NCCSCc2ccccc2F)S(C)(=O)=O)c1 220141672 YPQVJOKMMMTYEZ-MRXNPFEDSA-N 424.563 3.338 0 40 HGAB COc1ccc(-c2nnc(NC(=O)c3cccc(NS(C)(=O)=O)c3C)s2)cc1 223218014 OFAAJXUUZQFGRE-UHFFFAOYSA-N 418.500 3.146 0 40 HGAB COC(=O)c1cc(S(=O)(=O)Nc2ccccc2C(=O)NC(C)C)ccc1Cl 223829213 PORWQAIPLCPHSY-UHFFFAOYSA-N 410.879 3.066 0 40 HGAB CC[C@@H](C(=O)NCCOc1ccccc1C)N(c1ccc(C)cc1)S(C)(=O)=O 224303935 LYAHCMIRHAMGKF-IBGZPJMESA-N 404.532 3.043 0 40 HGAB COc1ccc(CN(C(=O)COc2ccccc2F)[C@@H](C)C(=O)NCC(C)C)cc1 224481296 DGIDEJQHLYKPEI-KRWDZBQOSA-N 416.493 3.403 0 40 HGAB CN(c1ccc(OCC(=O)Nc2ccc3c4c(cccc24)CC3)cc1)S(C)(=O)=O 225199956 ZZTVMSMXLXISEG-UHFFFAOYSA-N 410.495 3.352 0 40 HGAB CC[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)c1ccccc1 225535102 OTSUEDCYBLJJIH-YLJYHZDGSA-N 404.507 3.494 0 40 HGAB COc1ccccc1Cc1cnc([C@H]2CCCN(C(=O)c3cc(C)nc(O)n3)C2)o1 257227812 FRAHTABCXLOEEE-INIZCTEOSA-N 408.458 3.098 0 40 HGAB CN(C)CCNC(=O)c1sc2ncccc2c1[C@@H]1CCN(C(=O)C2CCCC2)C1 257273542 NHBDFCKGXIWMRE-MRXNPFEDSA-N 414.575 3.094 0 40 HGAB Cc1cc(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCCC[C@H]4N[C@H]3Cc2ccccc2)nc(N)n1 257307177 SXNIKSLXGMQWRS-VRADTLIUSA-N 405.546 3.114 0 40 HGAB O=C(c1cc(O)nc(O)n1)N1CCC[C@@H](c2ncc(Cc3ccccc3Cl)o2)C1 257313415 USHKUNGKGCZVBE-CYBMUJFWSA-N 414.849 3.140 0 40 HGAB CCCNS(=O)(=O)c1ccc(OCC(=O)Nc2c(F)cccc2F)c(Cl)c1 408558174 QHHLLCNPGDGBOG-UHFFFAOYSA-N 418.849 3.324 0 40 HGAB COc1ccc(S(=O)(=O)N(CC(=O)NC(C)C)Cc2ccccc2)cc1Cl 408584178 MSCOVDPMYHRSSA-UHFFFAOYSA-N 410.923 3.064 0 40 HGAB COCCNC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 408704056 JEMSTDRDULLHNV-FQEVSTJZSA-N 404.919 3.490 0 40 HGAB Cc1nn(C)c(C)c1/C=C/C(=O)N1CC[C@@]2(CCCO2)[C@H](OCc2ccccc2)C1 585290307 QFWMSSZDESPGLW-NJPUHTLHSA-N 409.530 3.417 0 40 HGAB CC(C)N1C(=O)c2ccccc2[C@H](C(=O)N2CCC2)C12CCN(C(=O)C1CCC1)CC2 1549174855 SJQZRNHGBBXERN-OAQYLSRUSA-N 423.557 3.028 0 40 HGAB CCN(CC)C(=O)CSc1nnc(COc2ccc(Br)cc2)o1 905453 OIAANHPZZUGCIB-UHFFFAOYSA-N 400.298 3.372 0 40 HGAB COc1cc(Br)c([C@H]2SCC(=O)N2c2nncs2)cc1OC 1611385 XUOBNOIRFMSKNZ-GFCCVEGCSA-N 402.295 3.096 0 40 HGAB Cc1ccc(C)c(NC(=O)COC(=O)[C@H](C(C)C)N2C(=O)c3ccccc3C2=O)c1 1910829 NQDHESIDRHLUNE-FQEVSTJZSA-N 408.454 3.106 0 40 HGAB O=C1C[C@H](Nc2ccccc2N2CCOCC2)C(=O)N1c1ccccc1C(F)(F)F 3324923 UBFVPBZZKPJLGP-INIZCTEOSA-N 419.403 3.286 0 40 HGAB CCOc1ccc(NC(=O)c2ccc(OC)c(S(=O)(=O)N3CCCC3)c2)cc1 3482956 WXUQZMXRIBIPAG-UHFFFAOYSA-N 404.488 3.131 0 40 HGAB COCCCn1c(SCC(=O)Nc2cccc(OC)c2)nnc1-c1ccncc1 4169294 MDHYVOWYPRRLLU-UHFFFAOYSA-N 413.503 3.116 0 40 HGAB Cc1cccc(Cn2c(=O)c3c(nc4n3C[C@H](C)CN4C3CCCCC3)n(C)c2=O)c1 4249353 DXHZZMDLESQLLR-QGZVFWFLSA-N 421.545 3.042 0 40 HGAB Nc1cc(=O)nc(SCC(=O)N2CCCc3ccccc32)n1-c1ccc(F)cc1 4271810 FFMXJCSRPHBDLW-UHFFFAOYSA-N 410.474 3.025 0 40 HGAB Cc1ccc(C(=O)COC(=O)C2CCC(N3C(=O)[C@H]4[C@H]5CC[C@H](C5)[C@@H]4C3=O)CC2)cc1 4543598 QFQNABIZLIPWHD-RPPZOQHKSA-N 423.509 3.311 0 40 HGAB COc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3nc(C)cs3)n2C)cc1OC 4736348 VISSVRMEJWORKZ-LLVKDONJSA-N 419.532 3.384 0 40 HGAB O=C(NCc1ccc(F)cc1)[C@@H]1CCCN(c2nc3ccsc3c(=O)s2)C1 4878260 PGNGEJNJZPRXOZ-CYBMUJFWSA-N 403.504 3.390 0 40 HGAB COC(=O)COc1c(Cl)cc(/C=C2\N=C(c3ccccc3)OC2=O)cc1OC 5000765 GAERMVJZWGGFNZ-DHDCSXOGSA-N 401.802 3.245 0 40 HGAB CC1CCN(S(=O)(=O)c2ccc(C(=O)OCC(=O)c3ccc(F)cc3)cc2)CC1 5212153 KUDZUBSTZARFBY-UHFFFAOYSA-N 419.474 3.286 0 40 HGAB C[C@@H]1CCc2sc(C(=O)O[C@H](C)C(=O)NCc3ccc4c(c3)OCO4)cc2C1 5773235 CFMYNDXWRAXPQR-CHWSQXEVSA-N 401.484 3.463 0 40 HGAB COc1ccc(OC)c([C@@H]2CCCN2CC(=O)N2CCN(c3ccccc3)CC2)c1 7246040 URKFBDHTLZXFAP-QFIPXVFZSA-N 409.530 3.190 0 40 HGAB O=C(CN1C[C@@H](C(=O)N2CCCCC2)Oc2ccccc21)Nc1ccc2c(c1)CCC2 7252170 QWWUOLAUSQHYMQ-QHCPKHFHSA-N 419.525 3.394 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCCc1ccc(F)cc1 7345160 OJYBJOANFHLYDA-UHFFFAOYSA-N 404.507 3.281 0 40 HGAB C[C@@]1(C2CC2)NC(=O)N(CC(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)C1=O 7737399 DUVNLWXXZBHSNV-UGKGYDQZSA-N 411.889 3.266 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)Cc1ccc(F)cc1 8487760 YJLCIJUFKDTOTJ-UHFFFAOYSA-N 406.479 3.190 0 40 HGAB Cc1ccc(OCCSc2nc3ccccc3n2CC(=O)N2CCOCC2)cc1 8586892 APFLRZZAOXCNAZ-UHFFFAOYSA-N 411.527 3.375 0 40 HGAB O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)c2cc(-c3ccccc3)[nH]n2)CC1 9467143 GIOUPMLCZSZQLU-UHFFFAOYSA-N 418.453 3.296 0 40 HGAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)cc1 9749341 RTEFXZZECPFBQF-UHFFFAOYSA-N 423.922 3.173 0 40 HGAB Cc1ccc(C)c(Cn2c(=O)c3c(nc4oc(-c5ccc(F)cc5)cn43)n(C)c2=O)c1 9789687 UOMPPPIYSWMCOE-UHFFFAOYSA-N 418.428 3.412 0 40 HGAB Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccccc3)c(=O)n2C)c(C)c1 10104945 QOSWPIJLFJITGM-UHFFFAOYSA-N 415.497 3.104 0 40 HGAB COc1ccc(N2C(=O)C[C@H](N(C)Cc3ccc(SC)cc3)C2=O)cc1OC 10169803 GXFKLGFCWYYOIG-KRWDZBQOSA-N 400.500 3.190 0 40 HGAB CCOc1ccc(CNC(=O)CN(c2cccc3ccccc23)S(C)(=O)=O)cc1 10448686 PBKFZHXCNAKFCC-UHFFFAOYSA-N 412.511 3.321 0 40 HGAB O=S(=O)(/C=C/c1ccc(Cl)cc1)Nc1cccc(S(=O)(=O)NC2CC2)c1 10518394 DBLZSTGPOWOVNB-ZHACJKMWSA-N 412.920 3.193 0 40 HGAB O=C(C1CCCCC1)N1CCC[C@H]1Cn1nc(-c2ccc3c(c2)OCO3)ccc1=O 12182231 YLGITHXXPQAVQI-SFHVURJKSA-N 409.486 3.210 0 40 HGAB COc1ccc(C(=O)N2CCC(c3nc4ccccc4cc3C(N)=O)CC2)c(OC)c1 12254439 ISPOEASIENKNPQ-UHFFFAOYSA-N 419.481 3.371 0 40 HGAB O=C(N[C@]1(C(F)(F)F)NC(=O)N(c2cccc(Cl)c2)C1=O)c1ccccc1F 12375343 FTPMHJZUKJYWLS-INIZCTEOSA-N 415.730 3.224 0 40 HGAB NC(=O)COc1ccc([C@@H]2Nc3ccccc3C(=O)N2CCc2ccccc2)cc1 12543801 MDXKDKKIIZOIFO-HSZRJFAPSA-N 401.466 3.360 0 40 HGAB CCn1c(S[C@H](C)c2nc(C(C)(C)C)no2)nc2cc(S(N)(=O)=O)ccc21 12544681 UKAXUNJALXIVIP-SNVBAGLBSA-N 409.537 3.237 0 40 HGAB COc1ccc(C)cc1[C@H](C)NC(=O)CCc1nc(N)nc(Nc2ccccc2)n1 12597830 YMTILABOGCFPAC-HNNXBMFYSA-N 406.490 3.324 0 40 HGAB COC(=O)c1cc(NC(=O)c2sc(-c3ccccn3)nc2C)cc(C(=O)OC)c1 12746392 LFEFTFGRCTUZOC-UHFFFAOYSA-N 411.439 3.339 0 40 HGAB O=C(CCCc1nc2ccccc2c(=O)[nH]1)NCc1ccccc1OC(F)(F)F 12755838 DXDBQKSABVNWQN-UHFFFAOYSA-N 405.376 3.461 0 40 HGAB COc1cc(C(=O)N2CCNC(=O)C2)ccc1OCc1ccc(Cl)cc1Cl 12927547 ZZPDNHAYCVUCMI-UHFFFAOYSA-N 409.269 3.153 0 40 HGAB COCC(=O)Nc1nc2n(n1)[C@H](c1ccc(OC)cc1)C[C@@H](c1ccc(OC)cc1)N2 13127420 CHKWJTCAEYFHKQ-OALUTQOASA-N 423.473 3.027 0 40 HGAB COc1ccc(F)cc1S(=O)(=O)N1CCC[C@H](C(=O)N[C@@H](C)c2ccccc2)C1 13580559 RMFLRESDWVCPBA-RDJZCZTQSA-N 420.506 3.112 0 40 HGAB CC(C)c1nnc(NC(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2O)s1 13692185 ZYMGCWKUTOITHN-UHFFFAOYSA-N 424.548 3.184 0 40 HGAB C[C@H]1CCCC[C@H]1NC(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 14799990 LFSPNHUTZUXZIQ-SUMWQHHRSA-N 400.491 3.060 0 40 HGAB O=C(COC(=O)c1ccccc1NCc1ccco1)NC[C@H]1COc2ccccc2O1 15512932 DJZSYCUYJFISOT-KRWDZBQOSA-N 422.437 3.005 0 40 HGAB O=C(CNC(=O)c1ccc(Cl)cc1Cl)NCc1ccc(N2CCCC2=O)cc1 15513626 SXYOEFUCBCSTOH-UHFFFAOYSA-N 420.296 3.166 0 40 HGAB O=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1cnn(-c2ccccc2)c1 15579410 WBJQJZYEEZRYLN-UHFFFAOYSA-N 410.499 3.299 0 40 HGAB COC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN21 15987299 AHYSVLUBGGFJBV-MANSERQUSA-N 408.841 3.028 0 40 HGAB COc1ccccc1Nc1nc(N)nc(COC(=O)c2cc(F)c(F)cc2Cl)n1 16582555 YCSLUKSDEZKWOX-UHFFFAOYSA-N 421.791 3.495 0 40 HGAB COc1ccc(C(=O)NCC(=O)N[C@@H](C)c2cccc(C(F)(F)F)c2)cc1OC 18016138 GCUBQDXGZYTONI-LBPRGKRZSA-N 410.392 3.330 0 40 HGAB Cc1nn(CC(C)C)c(C)c1CCC(=O)OCc1cc(=O)n2c(C)csc2n1 18382925 PKVGKFDFBSTSSD-UHFFFAOYSA-N 402.520 3.210 0 40 HGAB COc1ccc(CC(=O)N2CCC[C@@H]2c2nc(N(C)C)ncc2-c2cc(C)no2)cc1 19122380 JHMLWHFKBWQDQW-LJQANCHMSA-N 421.501 3.421 0 40 HGAB O=C([C@H](c1ccc(Cl)cc1)N1CCOCC1)N1CCC(Oc2cccnc2)CC1 19339764 HMXDUAWFCDEISC-NRFANRHFSA-N 415.921 3.178 0 40 HGAB Cc1noc2nc([C@@H]3CCCN(C(=O)CCCn4cncn4)C3)cc(C(F)F)c12 19563864 HKJFTMNEKHUXAR-CYBMUJFWSA-N 404.421 3.247 0 40 HGAB COc1ccc(-c2nc(C3CCN(C(=O)[C@H]4CC=CCC4)CC3)[nH]c2C(N)=O)cc1 19698823 LKFKBMBKSKKKRK-KRWDZBQOSA-N 408.502 3.247 0 40 HGAB Cc1nn(C)c(C)c1C[C@H](C)NC(=O)c1cc2nccc(-c3ccc(F)cc3)n2n1 19715659 GRYVYAJVGVXFFX-ZDUSSCGKSA-N 406.465 3.247 0 40 HGAB CCS(=O)(=O)N1CCC[C@@H]1c1nc(C)c2c(n1)N(CC1CCCCC1)C(=O)CC2 19741379 OEDUGGGEJXBKPP-GOSISDBHSA-N 420.579 3.131 0 40 HGAB CSCC[C@@H](NC(=O)c1cc2ccccc2o1)C(=O)N=c1[nH]c2ccccc2[nH]1 20734173 GUDUBGGNMWQXMM-MRXNPFEDSA-N 408.483 3.221 0 40 HGAB CCCCNS(=O)(=O)c1ccc(OCC(=O)N[C@H](C)c2ccc(F)cc2)cc1 22537027 BEQAHKBUMUOYME-OAHLLOKOSA-N 408.495 3.160 0 40 HGAB CS(=O)(=O)N1CCCC[C@H]1C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 26194109 IPOQKMUZFQFPFJ-LBPRGKRZSA-N 418.359 3.477 0 40 HGAB CS(=O)(=O)N1CC[C@H](C(=O)NC2CCCCCCC2)Oc2ccc(Cl)cc21 30944140 QSNXHMGTAXUINI-GOSISDBHSA-N 414.955 3.486 0 40 HGAB O=C(N[C@H](Cc1ccccc1)C(=O)NC[C@H]1COc2ccccc2O1)c1cccs1 31038520 VXMBOKOMMBMPCK-ZWKOTPCHSA-N 422.506 3.045 0 40 HGAB O=C(CN1CCN(Cc2nc3ccccc3s2)CC1)NCc1ccc(Cl)cc1 32665076 LDIAAMIQMBQQNY-UHFFFAOYSA-N 414.962 3.384 0 40 HGAB COc1ccc(C)cc1NC(=O)[C@@H]1CC(=O)N(CCc2ccc(OC)c(OC)c2)C1 33005246 KSICUYHOIMMAQF-QGZVFWFLSA-N 412.486 3.051 0 40 HGAB C[C@H](CCc1ccccc1)NC(=O)[C@@H]1[C@H]2C=C[C@]3(CN(c4ccccc4)C(=O)[C@H]13)O2 35485165 DOQJCMSPVWOHSQ-LCKOPLQUSA-N 402.494 3.111 0 40 HGAB biogenic O=C(CN1CCN(Cc2nc3ccccc3[nH]2)CC1)Nc1cccc(C(F)(F)F)c1 35598313 QMXVZBTWDFOIHD-UHFFFAOYSA-N 417.435 3.338 0 40 HGAB CCn1ccc(-c2cc(C(=O)N[C@@H](C)c3cn(CC)nc3C)c3c(C)noc3n2)n1 36618020 CKWNJSUBSPCCEP-LBPRGKRZSA-N 407.478 3.430 0 40 HGAB CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)N(C)Cc1cnn(Cc2ccccc2)c1 40005381 OTWAWDCAZMJOIL-JOCHJYFZSA-N 404.514 3.344 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCCN(C[C@H](O)c3ccc(Cl)cc3)CC2)cc1 40050449 ULSJDWWXMREUIY-FQEVSTJZSA-N 408.951 3.078 0 40 HGAB C[C@@H](Cc1cccc(Cl)c1)NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 40113118 JMTOLICKNKVLDD-INIZCTEOSA-N 420.962 3.488 0 40 HGAB CCOC(=O)c1ccccc1NC(=O)COc1cc(C)nc(N2CCC(C)CC2)n1 44169948 YUNATAUOUZELJT-UHFFFAOYSA-N 412.490 3.216 0 40 HGAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)N[C@@H](C)c1ccc(C)c(C)c1)O2 44856420 PWRWFHMAMAYXKC-JXFKEZNVSA-N 402.516 3.016 0 40 HGAB COC(=O)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(C(C)(C)C)cc1 46086680 FOKDUBXGOGPURB-FQEVSTJZSA-N 410.514 3.005 0 40 HGAB Cc1csc(CCNC(=O)[C@@H]2CC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)n1 48123327 BZJHUDRXRYTKBJ-CQSZACIVSA-N 411.449 3.178 0 40 HGAB Cc1cc(C)n(C[C@@H](C)CNS(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)n1 48287606 PIZVXVTXEOANQM-JTQLQIEISA-N 407.870 3.369 0 40 HGAB C[C@@H](Oc1cccc(C(C)(C)C)c1)C(=O)N1CCC(C(=O)Nc2nncs2)CC1 48303319 KQENXGTVCGVXAE-CQSZACIVSA-N 416.547 3.480 0 40 HGAB CCCn1c(SCC(=O)NCc2ccc(OC)cc2)nc2ccsc2c1=O 57425263 BRCOPOXLILCGKJ-UHFFFAOYSA-N 403.529 3.285 0 40 HGAB OC1CCN([C@@H](c2ccc3ncccc3c2)c2nnnn2CCc2ccccc2)CC1 57675080 INNHOOLWWLKXHE-QHCPKHFHSA-N 414.513 3.010 0 40 HGAB NC(=O)CC[C@H]1CCCN(CC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)C1 58341303 YRZYYRSCGHTADK-OAHLLOKOSA-N 403.910 3.194 0 40 HGAB COc1ccc(S(=O)(=O)Nc2ccc(C)cc2C(=O)O)cc1Br 58357599 BOGIOCUHJGYKBD-UHFFFAOYSA-N 400.250 3.265 0 40 HGAB O=C(NCCCN1CCCCCC1=O)c1nn(-c2ccccc2C(F)(F)F)cc1O 60795207 HFAPGXQEQBEAAQ-UHFFFAOYSA-N 424.423 3.119 0 40 HGAB COc1ccc(NC(=O)Cn2cc(-c3ccccc3)c(N3CCOCC3)n2)cc1OC 62006871 QTAGITTVFYXDGX-UHFFFAOYSA-N 422.485 3.043 0 40 HGAB O=C(CN1CCN(CCOc2cccc3ccccc23)CC1)N1CCc2ccccc21 64953073 MVPBAKXBOPXPDS-UHFFFAOYSA-N 415.537 3.426 0 40 HGAB COC(=O)c1cc(OCC(=O)Nc2ccc(F)cc2F)c2cc(OC)ccc2n1 65033194 KJXAYNOEMJMRSU-UHFFFAOYSA-N 402.353 3.326 0 40 HGAB COc1ccc(NC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2CC(C)C)cc1 67237688 CKPIOYAHKJVWRE-UHFFFAOYSA-N 400.504 3.428 0 40 HGAB O=C(Cc1cccc(O)c1)N1CCC(Cn2nc(-c3cccs3)ccc2=O)CC1 72334913 VVPGBNCASICYGZ-UHFFFAOYSA-N 409.511 3.159 0 40 HGAB CCc1c(C)nc2cc(-c3ccoc3C)nn2c1NCCNC(=O)c1cccnc1 72336862 BPUDSFFSBWPJFM-UHFFFAOYSA-N 404.474 3.405 0 40 HGAB CCCC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1ccc(CCNC(C)=O)cc1 79098760 FLXYYMMGPQVYPQ-IBGZPJMESA-N 405.539 3.179 0 40 HGAB CN(C(=O)CN1CCN(Cc2ccc(OCC(F)(F)F)cc2)CC1)c1ccccc1 89365420 HRUSHLVZDKAVDQ-UHFFFAOYSA-N 421.463 3.408 0 40 HGAB Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)N1CCC[C@H]([C@@H](C)O)C1 89520871 LNQMKNXAXLXNRM-CABCVRRESA-N 406.324 3.485 0 40 HGAB CC(=O)N1CCN(Cc2cccc(NC(=O)[C@@H]3CCC[C@H](C(F)(F)F)C3)n2)CC1 95444942 XRONVSUTYADNGH-CVEARBPZSA-N 412.456 3.053 0 40 HGAB CC(C)N1CCN(C(=O)[C@@H]2c3c(ncn3C(C)C)CCN2Cc2ccccc2)CC1 96037547 XJTZJYYFGGDVBM-QHCPKHFHSA-N 409.578 3.116 0 40 HGAB CCS(=O)(=O)[C@](Cl)(I)C(=O)c1ccc(Cl)cc1 96518274 CXWZQINXFRMBPF-SNVBAGLBSA-N 407.056 3.285 0 40 HGAB O=C1[C@H]2CCCC[C@@H]2C(=O)N1CCC(=O)N1CCCC[C@H]1c1nc2ccccc2[nH]1 100165442 PUOHVUQNAOYZDQ-BXWFABGCSA-N 408.502 3.182 0 40 HGAB Cc1cccc(CS(=O)(=O)N2[C@@H]3CC[C@@H]2CC(O)(c2ccc4c(c2)OCO4)C3)c1 100773929 IZMMULSPLCJTCT-RTBURBONSA-N 415.511 3.068 0 40 HGAB Cc1ccc(-n2nc(C)c(CC(=O)N3CC[C@](O)(c4ccc(C)cc4)C3)c2O)cc1 100778984 RCXROXQRJDVYBU-XMMPIXPASA-N 405.498 3.166 0 40 HGAB CC(C)(C)C(=O)N[C@H](N1C[C@H]2C[C@H](C1)c1cccc(=O)n1C2)C(Cl)(Cl)Cl 102472583 PPEDLGLAIQXYQN-LALPHHSUSA-N 420.768 3.126 0 40 HGAB COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2C(=O)N2CCCC2)c1 223840882 IYSFDYQIJYKEJY-UHFFFAOYSA-N 422.890 3.163 0 40 HGAB Cc1ccc(N([C@@H](C)C(=O)Nc2nnc(SC(C)C)s2)S(C)(=O)=O)cc1 223906823 GZKZHWYBIOZREY-LBPRGKRZSA-N 414.578 3.140 0 40 HGAB Cc1nccn1-c1ccc(CNC(=O)c2ccc(N3CCCCS3(=O)=O)cc2)cc1 224380501 ABSSZBWPCSIIOM-UHFFFAOYSA-N 424.526 3.041 0 40 HGAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCc1ccc2c(c1)OCCO2 224664028 WEHVPTNNUCZTGM-GOSISDBHSA-N 410.514 3.334 0 40 HGAB CC(=O)c1ccc(C(=O)N2CCC(N3CC(=O)N(c4ccccc4)C3=O)CC2)s1 225821610 DHGJDPQDPLTQPZ-UHFFFAOYSA-N 411.483 3.024 0 40 HGAB COc1ccc(Br)c(C(=O)NC[C@@H](O)c2ccc3c(ccn3C)c2)c1 244969036 GVFWSGYYIRAHLT-GOSISDBHSA-N 403.276 3.413 0 40 HGAB CCC(CC)C(=O)N1CC[C@@H](c2nc(C)c(CC(=O)N3CCCCC3)c(C)n2)C1 257267542 MHSHYYCNTXTHHY-LJQANCHMSA-N 400.567 3.401 0 40 HGAB Cc1cc(C)nc(NCCC(=O)N2CCC[C@@H]2c2cccc(-n3ccnc3C)n2)n1 257299316 RPNNUTHZSZBLAA-LJQANCHMSA-N 405.506 3.148 0 40 HGAB COc1cc2c(cc1CN1CC[C@H](c3n[nH]cc3-c3ccnc(N)c3)C1)OCCCO2 257319225 VRJRGUXSSZWPTA-INIZCTEOSA-N 421.501 3.213 0 40 HGAB Cc1nonc1CC(=O)N1CCO[C@H](c2cccc(Cc3cccc(Cl)c3)n2)C1 257328653 XGOPLGCRZNRPIQ-FQEVSTJZSA-N 412.877 3.160 0 40 HGAB COc1ccc(N([C@@H](C)C(=O)N[C@H](C)c2ccc(C)cc2)S(C)(=O)=O)cc1OC 260591869 MQKNFRIFMGHFPX-CVEARBPZSA-N 420.531 3.044 0 40 HGAB CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N[C@H](C)c1ccc(OC)cc1 260841231 KUQWVKADOIWXEF-FOIQADDNSA-N 420.531 3.126 0 40 HGAB O=C(CCc1ccccc1)N1CCO[C@@H](c2nnn3cc(-c4ccncc4)ccc23)C1 306127543 GBIWGQOOMQSPMY-JOCHJYFZSA-N 413.481 3.324 0 40 HGAB Cc1cc(C)cc(CN2C[C@H]3Cc4nnc(C(=O)Nc5ccccc5)n4C[C@H]3C2)c1 306128937 HORGDPWUYAHXHE-WOJBJXKFSA-N 401.514 3.452 0 40 HGAB CCCCNC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1cc(C)ccc1OC 408588510 WRUGHQNMJGNCQQ-UHFFFAOYSA-N 408.495 3.254 0 40 HGAB CCCNC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1cc(C)ccc1OC 409387498 BRMKAGXZBFJRJT-UHFFFAOYSA-N 404.532 3.342 0 40 HGAB O=C(NCc1ccc(C(F)F)cc1)C(=O)N(CCO)[C@@H]1CCCc2ccccc21 502830578 QDFQATVIQFKSTI-LJQANCHMSA-N 402.441 3.139 0 40 HGAB NC(=O)c1c[nH]nc1[C@H]1CCCN(CCOC(c2ccccc2)c2ccccc2)C1 583623074 PNHIMHOMUCLANF-FQEVSTJZSA-N 404.514 3.494 0 40 HGAB Cc1nc(C)c(C(=O)N2CCC3(CC2)CO[C@H](CN(C)Cc2cccnc2)C3)s1 585104641 SKXVWTRMGJWALI-IBGZPJMESA-N 414.575 3.298 0 40 HGAB O=C(CN1c2ccccc2N(C2CC2)S1(=O)=O)Nc1cccc(C(F)(F)F)c1 585147793 TXJKLIQCHXNEIH-UHFFFAOYSA-N 411.405 3.378 0 40 HGAB Cc1ccc(S[C@@H](C(=O)NCCN2CCCS2(=O)=O)c2ccccc2)c(C)c1 592037000 GMWSUWVFPAEVGY-HXUWFJFHSA-N 418.584 3.289 0 40 HGAB CC[C@@H](OC(=O)[C@@H]1CC(=O)N(c2ccc(C(=O)OC)cc2)C1)C(=O)c1ccccc1 993343 OPMHVQVXTJAXTB-IEBWSBKVSA-N 409.438 3.031 0 40 HGAB CCc1cccc(C)c1NC(=O)Cn1nnc(-c2ccc(NC(C)=O)c(Cl)c2)n1 1344339 RCZLAFIDXQCQHI-UHFFFAOYSA-N 412.881 3.461 0 40 HGAB O=C(NCCS(=O)(=O)c1ccc(Br)cc1)c1ccc(Cl)cc1 1391943 HKFWSDVGHNNVAD-UHFFFAOYSA-N 402.697 3.306 0 40 HGAB O=C(NC1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1)c1ccccc1 1406184 JHPQMGJBEQIWDH-UHFFFAOYSA-N 412.433 3.289 0 40 HGAB Cc1cccc(NC(=O)COC(=O)[C@H](C(C)C)N2C(=O)c3ccccc3C2=O)c1C 1910819 PVZMKWXREIOGBX-FQEVSTJZSA-N 408.454 3.106 0 40 HGAB O=c1c(Br)c(N2CCN(c3ccccc3)CC2)cnn1-c1ccccc1 1928628 IZXTXFXNODXJKL-UHFFFAOYSA-N 411.303 3.322 0 40 HGAB O=C(NC(=S)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccccc1 2194915 GWPAWHCOHINMTJ-UHFFFAOYSA-N 418.525 3.071 0 40 HGAB O=c1/c(=C/c2cccc(Br)c2)sc2nc(-c3ccc(F)cc3)nn12 2445636 BXDSVKOXONFJKM-ZROIWOOFSA-N 402.248 3.267 0 40 HGAB CCOc1ccc(N2C[C@@H](C(=O)Oc3ccc4c(C)cc(=O)oc4c3)CC2=O)cc1 3345317 MNRAEQUGYWONJR-HNNXBMFYSA-N 407.422 3.459 0 40 HGAB COc1ccc2[nH]c3c(c2c1)CCN1C(=O)CN(CCc2cccc(F)c2)C(=O)[C@]31C 4073385 JRMCJLKPSWCXLL-DEOSSOPVSA-N 421.472 3.000 0 40 HGAB biogenic COc1cccc(C(=O)Nc2c3c(nn2-c2ccccc2C)C[S@@](=O)C3)c1OC 4106219 HTAMTBMVFVZHJY-GDLZYMKVSA-N 411.483 3.213 0 40 HGAB CCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3cccc(F)c3)cc2)CC1 4121706 MLKBROMKNHKEJE-UHFFFAOYSA-N 414.506 3.011 0 40 HGAB COc1ccc(OC)c([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCN(C)C)c1 4301751 MSEGSKYCXNBBCW-NRFANRHFSA-N 422.481 3.307 0 40 HGAB CC(C)=C1[C@H]2CC[C@@H]1[C@H]1C(=O)N(NC(=O)COc3ccc(Cl)c(C)c3)C(=O)[C@@H]21 4651178 YDCNKOPFLPYAPU-BZUPMSHVSA-N 402.878 3.036 0 40 HGAB CC(C)(C)NC(=O)Cn1c(SCC(=O)NCCc2ccccc2)nc2ccccc21 4859092 JVIGGPYYVIKTFS-UHFFFAOYSA-N 424.570 3.402 0 40 HGAB CC1CCC(NS(=O)(=O)c2ccc(S(=O)(=O)NCc3ccccc3)cc2)CC1 4967516 AGWJFUSTEBWZAX-UHFFFAOYSA-N 422.572 3.022 0 40 HGAB O=C(O)c1ccccc1[C@@H]1[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2ON1c1ccccc1 5144050 GIRNNZHTRKWVQL-NJDAHSKKSA-N 414.417 3.436 0 40 HGAB CN(CC(=O)Nc1ccccc1Cl)C(=O)COC(=O)Cc1c[nH]c2ccccc12 5400812 CARAPTWQZWLVIR-UHFFFAOYSA-N 413.861 3.004 0 40 HGAB CCN(CC)S(=O)(=O)c1cc(NC(=O)c2ccc(NC(C)=O)cc2)ccc1C 5443695 ISOBAOBQILGHBC-UHFFFAOYSA-N 403.504 3.236 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=S)Nc1cccc(C)c1C 5656598 FKQGIOWYAWGGNO-UHFFFAOYSA-N 419.572 3.442 0 40 HGAB Cc1cccc(C(C)(C)C)c1NC(=O)C[C@@H]1C(=O)Nc2ccccc2S1(=O)=O 5721928 FKSNZQTVRAYJFA-QGZVFWFLSA-N 400.500 3.416 0 40 HGAB CC1(C)C[C@@H](n2nc(O)c3c2NC(=O)CS[C@@H]3c2ccc3c(c2)OCO3)CCO1 5862245 JAQOCFQWSLJDLY-YVEFUNNKSA-N 417.487 3.222 0 40 HGAB Cc1cc(C)cc(O[C@@H](C)C(=O)N(Cc2ccc(C)o2)[C@H]2CCS(=O)(=O)C2)c1 6810333 NXQCNQQBQSZOFD-ROUUACIJSA-N 405.516 3.188 0 40 HGAB COc1ccc([C@@]2(C)NC(=O)N(Cc3cc(Cl)c4c(c3)OCCCO4)C2=O)cc1 7081240 JELIVYIWRUELKL-OAQYLSRUSA-N 416.861 3.477 0 40 HGAB CC(C)[C@@H](NC(=O)Cn1cnc2sccc2c1=O)c1ccc2c(c1)OCCCO2 7086344 PDCWDJIJKLLYGM-LJQANCHMSA-N 413.499 3.133 0 40 HGAB CC(=O)c1c(C)[nH]c(C(=O)COC(=O)C[C@H](NC(N)=O)c2ccc(Cl)cc2)c1C 7508616 RQQFHGVZTVASTP-HNNXBMFYSA-N 419.865 3.013 0 40 HGAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1/C=C/C(=O)Nc1ccc2c(c1)CCC2 7960297 ZALJOTQOXZPSCH-IWAYRVGRSA-N 419.934 3.345 0 40 HGAB CCOC(=O)c1ccccc1NC(=O)CCCN(c1cccc(C)c1)S(C)(=O)=O 8041011 HCLRFTBAVWEKPC-UHFFFAOYSA-N 418.515 3.357 0 40 HGAB C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)Nc3ccc(F)c(F)c3)c2)C[C@H](C)O1 8073770 QACPFSCCCRSVAP-STQMWFEESA-N 410.442 3.015 0 40 HGAB CCCNc1nc(SCC)nc2c1cnn2CCNC(=O)c1ccc(F)c(F)c1 8947882 ZEXJVSJILANQEH-UHFFFAOYSA-N 420.489 3.468 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCCC[C@H]2c2cccn2C)cc1NC(C)=O 9585057 QLGKKCYSFZINJD-IBGZPJMESA-N 405.520 3.298 0 40 HGAB COc1ccc([C@H](NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c2ccccc2)cc1 9952205 QEWSTWRSUNOLFJ-JOCHJYFZSA-N 424.522 3.465 0 40 HGAB Cc1ccc(S(=O)(=O)N2c3ccc(C(=O)NCc4ccncc4)cc3C[C@H]2C)cc1 10326539 USFROHJTMRDDOZ-QGZVFWFLSA-N 421.522 3.460 0 40 HGAB COC(=O)c1ccc(C(=O)N[C@@H]2CCCc3c2cnn3-c2cc(F)cc(F)c2)nc1 11816744 VXEDOXDHXQMWHR-QGZVFWFLSA-N 412.396 3.140 0 40 HGAB C[C@H](SCc1ccc(Br)cc1)C(=O)N[C@@H](C(N)=O)c1ccccc1 12051886 ZDLLHRSYJALONX-BLLLJJGKSA-N 407.333 3.414 0 40 HGAB Cc1ccc(COc2cn(CC(=O)Nc3ccc4c(c3)OCCO4)c(C)cc2=O)cc1 12230640 KZIVZHKSJDJEGA-UHFFFAOYSA-N 420.465 3.454 0 40 HGAB CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)cc1 12521444 XLQZUEPAGGTNPJ-HZPDHXFCSA-N 418.515 3.136 0 40 HGAB NC(=O)COc1ccc([C@H]2Nc3ccccc3C(=O)N2CCc2ccccc2)cc1 12543802 MDXKDKKIIZOIFO-QHCPKHFHSA-N 401.466 3.360 0 40 HGAB COc1ccc(NC(=O)CN(C)Cc2cc3c(cc2Br)OCCO3)cc1 12697895 LUXVETMNBVQSDK-UHFFFAOYSA-N 421.291 3.299 0 40 HGAB CC(C)[C@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)OCCOc1ccccc1F 12817153 XGLZPOJBGILCMN-IURSYISVSA-N 421.490 3.363 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)NCc1cccc(C)c1 13676594 JOHPZLYCEGKQMA-UHFFFAOYSA-N 416.543 3.498 0 40 HGAB CC[C@H](C(=O)Nc1cccc(NC(C)=O)c1)N(c1ccc(C)cc1)S(C)(=O)=O 13713869 YMPZTANZFDCTGA-LJQANCHMSA-N 403.504 3.137 0 40 HGAB O=C(CSc1ncnc2sccc12)N1CCN(CCOc2ccccc2)CC1 14229918 BODSZZWKPDFEHZ-UHFFFAOYSA-N 414.556 3.007 0 40 HGAB COc1ccc(CN(C)C(=O)CN(C)S(=O)(=O)c2ccc3ccccc3c2)cc1 14233152 APGBXWMWBUQMOI-UHFFFAOYSA-N 412.511 3.128 0 40 HGAB C[C@H](OC(=O)c1ccc(OC[C@H]2CCCO2)cc1)C(=O)NC(=O)Nc1ccccc1 14705828 XTKKIMUCIPIPON-HNAYVOBHSA-N 412.442 3.138 0 40 HGAB Cc1ccn2c(=O)cc(COC(=O)c3ccccc3NC(=O)c3ccco3)nc2c1 14758740 GLSZPTKLYFGHPA-UHFFFAOYSA-N 403.394 3.205 0 40 HGAB COc1ccccc1OCC(=O)OCC(=O)c1ccc(SC)c(NC(C)=O)c1 16760704 LUHRDJXCQMCJRU-UHFFFAOYSA-N 403.456 3.180 0 40 HGAB CN(Cc1cccc(Cl)c1)C(=O)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O 18008665 PUKNCLFHBDIERX-QGZVFWFLSA-N 412.873 3.387 0 40 HGAB Cc1ccc(OCc2n[nH]c(SCC(=O)Nc3cccc4nsnc34)n2)cc1 19077044 NYOTZPRASHVPDO-UHFFFAOYSA-N 412.500 3.428 0 40 HGAB Cc1ccc(-c2c(-c3ccncc3)cnn2CCNC(=O)c2oc(C)nc2C)cn1 19215006 JUYXMTDNYCDASP-UHFFFAOYSA-N 402.458 3.350 0 40 HGAB O=c1[nH]c(-c2ccncc2)nc2c1CCN(Cc1cccn1-c1ccccc1F)C2 19368488 MRFKYNDKTUFSPN-UHFFFAOYSA-N 401.445 3.320 0 40 HGAB O=C(COC[C@H]1COc2ccccc2O1)N1CCC[C@@H](COc2ccc(F)cc2)C1 19375731 IQDRVGVVOPYKMY-XLIONFOSSA-N 415.461 3.300 0 40 HGAB CCCC(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CN(C(=O)C1CCCCC1)CC2 19501418 ANJMYXGWBZYHBT-LJQANCHMSA-N 414.550 3.089 0 40 HGAB CCc1cc(C(=O)NCCn2ncc(-c3ccncc3)c2-c2ccc(C)nc2)no1 19522681 FUKSVFCXUPXESF-UHFFFAOYSA-N 402.458 3.296 0 40 HGAB CCN1C[C@H](C(=O)N2CCC[C@@H](c3cc(C(F)(F)F)c4c(C)noc4n3)C2)CC1=O 19526900 VAEPDKQKXKQQJS-CHWSQXEVSA-N 424.423 3.124 0 40 HGAB COc1ccc(-c2ccc(OC)cc2C(=O)N2Cc3ccccc3C[C@@H]2C(N)=O)cc1 19654923 IPNQRUHDUXXIIJ-HSZRJFAPSA-N 416.477 3.423 0 40 HGAB Cc1nc(C)c(C(=O)N2CCC[C@H](NC(=O)c3ccc(C(F)(F)F)nc3C)CC2)o1 19749111 LLGFKNRABUMKCZ-AWEZNQCLSA-N 424.423 3.438 0 40 HGAB COc1ccc(-c2cc(C(=O)NC[C@@H](c3cccs3)N3CCOCC3)no2)cc1 19796729 ZVIUKXLWOCYOHG-SFHVURJKSA-N 413.499 3.215 0 40 HGAB CCOC(=O)c1ccc(C)c(NC(=O)c2ccc(NS(C)(=O)=O)c(Cl)c2)c1 20453878 RYEJPIBABAFRFI-UHFFFAOYSA-N 410.879 3.449 0 40 HGAB COc1ccccc1[C@@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 21598499 HQGKLFKXVMSKOV-HUUCEWRRSA-N 408.545 3.035 0 40 HGAB COc1cc(OC)c(C2=CCN(C(=O)c3c(C)nn(C)c3Cl)CC2)c(OC)c1 22327526 APGYFKYHYNGDDQ-UHFFFAOYSA-N 405.882 3.337 0 40 HGAB O=C(Cc1ccc(Cl)cc1)NC(=S)Nc1ccc(CN2CCOCC2)cc1 22418561 IULTVRZJFNQDFK-UHFFFAOYSA-N 403.935 3.228 0 40 HGAB Cc1nc2ccccc2nc1N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 23324106 IRADRAINEMDJLE-UHFFFAOYSA-N 402.907 3.103 0 40 HGAB CCOc1ccc(S(=O)(=O)N2CCN(Cc3cccc4cccnc34)CC2)cc1 24193350 HRYWGJRCFCMQBR-UHFFFAOYSA-N 411.527 3.140 0 40 HGAB CSc1ccc(N2C[C@H](C(=O)Nc3ccc(C(=O)NC4CC4)cc3)CC2=O)cc1 24969654 OWWFLNXMDNPJRN-OAHLLOKOSA-N 409.511 3.292 0 40 HGAB CSc1cccc(NC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)c1 30757197 QKZPXLSGTWXBAD-MRXNPFEDSA-N 412.920 3.228 0 40 HGAB Cn1cnc(S(=O)(=O)NCc2cccc(COCc3ccccc3)c2)c1Cl 32442106 LLJGENDZXIMBPA-UHFFFAOYSA-N 405.907 3.269 0 40 HGAB COc1ccccc1N1C(SCc2ccc(F)cc2)=N[C@@H]2CS(=O)(=O)C[C@@H]21 32639912 QXVKFVLTQXYGEN-WBVHZDCISA-N 406.504 3.109 0 40 HGAB O=C(NC[C@@H](c1cccs1)N1CCCC1)c1cccc(NC(=O)[C@H]2CCCO2)c1 32762787 PMJFJLCOQNEHQS-RBUKOAKNSA-N 413.543 3.433 0 40 HGAB CCOc1cc(C(=O)N2CCN(C(=O)C3CC3)CC2)cc(-c2ccccc2)c1OC 32816175 XEQNZQYGKDXHPD-UHFFFAOYSA-N 408.498 3.455 0 40 HGAB CCN(C(=O)CS(=O)(=O)Cc1cc(Cl)c2c(c1)OCCO2)c1ccccc1 32929820 JTNSOLRIHGRFBJ-UHFFFAOYSA-N 409.891 3.079 0 40 HGAB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccncc3)C2=O)cc1Cl 33704188 LGPFFGKVBBWUKQ-OVCLIPMQSA-N 403.847 3.419 0 40 HGAB O=C(CN1CCOCC1)Nc1sc2c(c1C(=O)Nc1ccc(F)cc1)CCCC2 35586322 SXHJUMLHXAVAQW-UHFFFAOYSA-N 417.506 3.289 0 40 HGAB CCc1nc2sc([C@@H](c3cccc(OC)c3)N3C[C@@H](C)O[C@H](C)C3)c(O)n2n1 36104930 JXXKXCCXVHPUAS-PBFPGSCMSA-N 402.520 3.266 0 40 HGAB CCn1nccc1CNC(=O)c1cc(C)nc2c1c(C)nn2-c1ccc(OC)cc1 36616132 QXCOSGNIACIEGR-UHFFFAOYSA-N 404.474 3.192 0 40 HGAB CCn1nc(C)c(-c2cc(C(=O)Nc3ccn(C(C)C)n3)c3cnn(C)c3n2)c1C 36616153 JUIJFPBLBWSERW-UHFFFAOYSA-N 406.494 3.498 0 40 HGAB COc1ccc(OCCn2cc(/C=C3\NC(=S)N(C)C3=O)c3ccccc32)cc1 39556402 LGZDKONLIDZBJH-UYRXBGFRSA-N 407.495 3.416 0 40 HGAB COC(=O)C[C@H](NC(=O)CCc1cccc(OC)c1OC)c1ccc(OC)cc1 40009869 SQUYAYSBGVRKTM-SFHVURJKSA-N 401.459 3.066 0 40 HGAB C[C@@]12CCC(=O)N1c1ccccc1C(=O)N2CCC(=O)NCC1(c2ccccc2)CC1 40072006 ACNXKJQBADODTN-DEOSSOPVSA-N 417.509 3.224 0 40 HGAB Cc1ccc([C@H](CNC(=O)c2csc(Cc3ccccc3)n2)N2CCOCC2)o1 40088857 KRMIKONMKCPVIK-IBGZPJMESA-N 411.527 3.439 0 40 HGAB CCOc1ccc2nc(SCc3nnc4n(C)c(=O)c5cc(C)ccc5n34)[nH]c2c1 40123135 XLUJDKHJTGEBTG-UHFFFAOYSA-N 420.498 3.457 0 40 HGAB O=C(CN1CCCCCCC1=O)NC1(c2ccc(Br)cc2)CCOCC1 48311334 XHTNIAQKRQBURE-UHFFFAOYSA-N 423.351 3.364 0 40 HGAB CN1CCN(C(=O)c2ccc(NC(=O)c3ccccc3Br)cc2)CC1 56290832 PBTIBMHASQMUQW-UHFFFAOYSA-N 402.292 3.089 0 40 HGAB CCCC[C@@H](c1nnnn1CCOC)N1CCN(c2cc(Cl)ccc2C)CC1 57670050 KTJJFKJNXJDOAN-SFHVURJKSA-N 406.962 3.335 0 40 HGAB COc1ccccc1[C@@H](O)CNC(=O)Nc1cc2c(cc1Br)OCCO2 58162859 AXCBZIFCWFXWOY-AWEZNQCLSA-N 423.263 3.084 0 40 HGAB CC(=O)[C@H]1CC(C(=O)NC[C@@H](c2ccco2)N2CCCCC2)=NN1c1ccccc1 58304523 NEAOACMKSLQBER-RTWAWAEBSA-N 408.502 3.147 0 40 HGAB Cc1ccc(N(CC(=O)NCCOc2ccc(C(C)(C)C)cc2)S(C)(=O)=O)cc1 59471966 DCZDZFIBPZHYMS-UHFFFAOYSA-N 418.559 3.254 0 40 HGAB Nc1c(C(=O)NCc2ccccc2Cl)nsc1C(=O)NCc1ccccc1F 67246156 GTPACXPGNWOBCX-UHFFFAOYSA-N 418.881 3.378 0 40 HGAB Cc1nn([C@H]2CCS(=O)(=O)C2)c2c1[C@@H](c1cccc(Br)c1)CC(O)=N2 71283701 BZAPFJHCDJZBRB-UONOGXRCSA-N 424.320 3.437 0 40 HGAB CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN([C@@H](C)C(=O)NCc2ccc(C)cc2)C1 72304914 YAYOMZWHQGTVCH-FUHWJXTLSA-N 413.484 3.123 0 40 HGAB Cc1nc2cc(C3CCOCC3)nn2c(NC[C@@H](O)COCc2ccccc2)c1C 72337429 DIAAKOIBIPESBU-HXUWFJFHSA-N 410.518 3.230 0 40 HGAB O=C(Nc1ccccn1)c1cccc([C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)n1 72357444 BJVMSGYINXQTAI-QGZVFWFLSA-N 422.510 3.297 0 40 HGAB CCOC(=O)c1csc(N(CC)C(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3)C2)n1 78879529 VLCZGKYGODCMKE-LBPRGKRZSA-N 421.906 3.379 0 40 HGAB CNc1cc([C@@H]2CCCN(C(=O)[C@H]3CC[C@H](OC)CC3)C2)nc(-c2cccnc2)n1 100745428 XVJCQLNKJUOSCW-QRQLOZEOSA-N 409.534 3.492 0 40 HGAB Cc1cc(C(=O)CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c(C)n1Cc1ccc2c(c1)OCO2 102318806 SNFVYUDGJHCYHC-QZTJIDSGSA-N 420.465 3.016 0 40 HGAB CN1[C@H]2CC[C@H]1[C@H](C(=O)N1CCCC1)[C@@H](c1ccc(I)cc1)C2 198042064 HPQILAIJSLHQQC-XWTMOSNGSA-N 424.326 3.480 0 40 HGAB COc1ccc(N([C@H](C)C(=O)Nc2ccc(Cl)cc2)S(C)(=O)=O)cc1OC 220226259 AZQCRSJAFUMEEO-GFCCVEGCSA-N 412.895 3.150 0 40 HGAB COc1ccccc1-n1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1CCN(C)C 223259494 OWLCDXYZENVUOK-YADHBBJMSA-N 421.570 3.415 0 40 HGAB CC[C@H](C(=O)NCCOCc1ccccc1)N(c1ccc(Cl)cc1)S(C)(=O)=O 224307203 KKAHJQAIKJHZDE-LJQANCHMSA-N 424.950 3.218 0 40 HGAB CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N[C@@H](C)c1ccc(C)cc1 224436713 AVQMDRPRMSFXJW-JXFKEZNVSA-N 404.532 3.426 0 40 HGAB CCCCNC(=O)c1ccc(OCC)c(CN(C)S(=O)(=O)c2ccccc2)c1 224809014 DJCRFGYMWJLLSI-UHFFFAOYSA-N 404.532 3.436 0 40 HGAB CCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)COc1ccccc1OC 224847776 GDBDLTJZULKGOR-MRXNPFEDSA-N 402.466 3.157 0 40 HGAB O=C(NCCCc1ccc(Cl)cc1)c1ccc(S(=O)(=O)N2CCCC2)cc1 225569427 LHQZNSVWYKXXQM-UHFFFAOYSA-N 406.935 3.487 0 40 HGAB Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCCC[C@H]4C)nc(O)c32)c(C)c1 253567788 KLIKKXGWJIKHGT-HUUCEWRRSA-N 409.490 3.242 0 40 HGAB CNC(=O)c1cnn([C@H]2CCCN(C(=O)C3(c4ccccc4F)CCCC3)CC2)c1 257215342 CPQQSLUPIUQDGA-SFHVURJKSA-N 412.509 3.447 0 40 HGAB CCN(CC)S(=O)(=O)N1CCC(c2cccc(Nc3nc(C)cs3)n2)CC1 257230280 GBOLQWMCUHEJOO-UHFFFAOYSA-N 409.581 3.356 0 40 HGAB CC(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](CCNC(=O)c4cccc(F)c4)OCC[C@@]31C2 257280878 OMTVPTJDZHNBMJ-JKYPXTOWSA-N 402.510 3.292 0 40 HGAB Cc1ccc(CN2C[C@H]3Cc4nnc(C(=O)Nc5cccc(F)c5)n4C[C@H]3C2)s1 306131014 JUUVTNYBSFMMCM-HUUCEWRRSA-N 411.506 3.344 0 40 HGAB COC(=O)CN1C(=O)N/C(=C/c2ccc(OCc3ccc4ccccc4c3)cc2)C1=O 408548381 HHQPDTOSZOTEOM-FYJGNVAPSA-N 416.433 3.485 0 40 HGAB CCOC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)OCC(=O)c1ccc(F)cc1 408997282 DOKRBJWFKJGWAA-LJQANCHMSA-N 412.417 3.390 0 40 HGAB Cc1ccc(C(=O)N[C@@H]2C(=O)N/[N+](=C\c3ccc(F)cc3)[C@H]2c2ccccc2)cc1 409063605 AFOXKHJZUWXECS-NXTBZVMJSA-O 402.449 3.150 0 40 HGAB COc1cc(C)c(/C=C2\SC(=O)N(CC(=O)N3CCCCCC3)C2=O)cc1OC 409202495 RGHPPNBSDQPGCA-PDGQHHTCSA-N 418.515 3.451 0 40 HGAB C[C@@H](NC(=O)c1csc(-c2ncccc2F)n1)C1(N2CCOCC2)CCCC1 507556875 XQVSNRODJLFUJM-CQSZACIVSA-N 404.511 3.108 0 40 HGAB CCN1C(=O)CC[C@H](C(=O)N[C@@H](C)c2nccn2-c2ccccc2)[C@H]1c1ccncc1 571714346 RALHVEFPXMHWFL-RBDMOPTHSA-N 417.513 3.444 0 40 HGAB CCc1ccc(C(=O)NC[C@@H]2CC(=O)N(CCOC)[C@H]2c2cnn(C(C)C)c2)s1 583622100 NEECAPWVPUXNLG-MGPUTAFESA-N 418.563 3.054 0 40 HGAB Cc1cccc(CN2CC[C@]3(CCCN(C(=O)Cc4cccc(F)c4F)C3)C2=O)n1 585100951 KTOZRNAPHUYURI-QHCPKHFHSA-N 413.468 3.252 0 40 HGAB Cc1nc2ccc(NC(=O)CC3(N4Cc5ccccc5C4=O)CCOCC3)cc2[nH]1 1548349109 ZAQXURUTPNWWAB-UHFFFAOYSA-N 404.470 3.405 0 40 HGAB CC(C)NC(=O)N1C[C@H]2CC[C@@H](CNC(=O)C3CC(F)(F)C3)N2Cc2ccccc21 1565556528 MMUFYMAHGRHJDE-ZWKOTPCHSA-N 420.504 3.119 0 40 HGAB COc1ccc(OC)c(CN2CCO[C@@]3(CCCCN(c4ccccc4)C3=O)C2)c1 2037983637 BAMXMHINQQHAAN-DEOSSOPVSA-N 410.514 3.492 0 40 HGAB CC(C)CN1CC2(CCN(C(=O)/C=C/c3cccs3)CC2)[C@]2(CCN(C)C2=O)C1 2055796157 GYWBSSAVEUSKGR-BMOUEYTDSA-N 415.603 3.190 0 40 HGAB Cc1c(CNC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](c2ccco2)N3)cnn1C 884615 HIAKPHWWWSXXND-SWLSCSKDSA-N 408.384 3.108 0 40 HGAB COc1ccc(NC(=O)C2=C(C)NC(=S)N[C@@H]2c2ccccc2OC)c(OC)c1 909815 JYKVEDYBYBDJGJ-LJQANCHMSA-N 413.499 3.144 0 40 HGAB CS(=O)(=O)N1CCc2cc(-c3csc(NC(=O)Cc4ccccc4)n3)ccc21 1365905 NNDDJXQSHQTIMV-UHFFFAOYSA-N 413.524 3.313 0 40 HGAB aggregator O=C1c2oc3ccccc3c(=O)c2[C@@H](c2ccc(Br)cc2)N1CCO 2353279 LSUPMTJXMNBFIA-MRXNPFEDSA-N 400.228 3.093 0 40 HGAB O=C([C@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1)N1CCN(c2ccccc2)CC1 3007770 HPSZAUGORAAUGH-HNNXBMFYSA-N 401.869 3.181 0 40 HGAB COC(=O)c1ccc(CNC(=O)CSc2ncnc3sc4c(c23)CCC4)cc1 3267305 DTDXFQCHNCKCHP-UHFFFAOYSA-N 413.524 3.375 0 40 HGAB C[C@@H](C(=O)OCC(=O)Nc1ccc2ccccc2c1)N1C(=O)c2ccccc2C1=O 3275982 RSZKATSKJOCVFN-AWEZNQCLSA-N 402.406 3.006 0 40 HGAB Cc1ccc(C(=O)OCCOc2ccccc2)cc1S(=O)(=O)N1CCCCC1 3448143 ARUXSTSWKDQLTI-UHFFFAOYSA-N 403.500 3.405 0 40 HGAB O=C(CSc1nc2ccccc2c(=O)n1CCCO)Nc1ccc(Cl)cc1F 3455234 BBXHGEFBOLBPKP-UHFFFAOYSA-N 421.881 3.302 0 40 HGAB Cc1cc(Br)ccc1NC(=O)CN1C(=O)N[C@@](C)(c2ccccc2)C1=O 3460029 QZHGYCGBKZNEHM-IBGZPJMESA-N 416.275 3.163 0 40 HGAB Cc1cc(C)c(NC(=O)COC(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)c(Cl)c1 3479319 RPJMTCRGOAWYLC-ZDUSSCGKSA-N 414.845 3.123 0 40 HGAB CC(C)N(C(=O)COC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)C(C)C 3568351 URYCSEMIJWRCPX-UHFFFAOYSA-N 414.502 3.418 0 40 HGAB COc1cc(C(=O)NCCc2cc3c(C)ccc(C)c3[nH]c2=O)cc(OC)c1OC 4032897 VXDLMBZDHAMDFH-UHFFFAOYSA-N 410.470 3.143 0 40 HGAB CS(=O)(=O)N1C[C@@H]2C[C@H](C1)c1c(-c3cc4ccccc4s3)ccc(=O)n1C2 4237428 ZCUPZQQDMFEOQU-DZGCQCFKSA-N 400.525 3.109 0 40 HGAB biogenic,in-vitro CC1CCC2(CC1)NC(=O)N(CC(=O)N1CC[C@@H](C)Sc3ccccc31)C2=O 4287691 XSGDBMVUSLOGQI-FAGJFJLWSA-N 401.532 3.405 0 40 HGAB CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)C)N3CCC(C)CC3)cc2c1 4848717 QZJUNHGSMDSKQR-FQEVSTJZSA-N 410.522 3.316 0 40 HGAB Nn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccccc1Br 5449974 VVQOLCHMSMOIFR-UHFFFAOYSA-N 404.293 3.152 0 40 HGAB O=C(O)Cc1c(-c2n[nH]c(-c3ccccc3)c2CC(=O)O)n[nH]c1-c1ccccc1 5479266 PYTHVCSWBVFCOD-UHFFFAOYSA-N 402.410 3.388 0 40 HGAB COc1ccc(OC)c(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)c1 5701775 YGRPHZXRUJNAMR-UHFFFAOYSA-N 404.488 3.131 0 40 HGAB CCOc1ccc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)c(OCC)c1 6961705 RACFJSDDDOOMEG-GZTJUZNOSA-N 404.488 3.143 0 40 HGAB Cc1cc(OCC(=O)OCC(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)ccc1Cl 7699137 HQESDTAFXIZXQX-AWEZNQCLSA-N 419.861 3.219 0 40 HGAB COc1ccc2cc(CN(C)CC(=O)N3CCN(c4ccccn4)CC3)ccc2c1 7805933 IFPNPVBIHHTFLN-UHFFFAOYSA-N 404.514 3.024 0 40 HGAB Cc1cccc(N2C(=O)N(c3ccc(Br)cc3)[C@H]3CS(=O)(=O)C[C@H]32)c1 8828024 TWZHKRCPCGBKFS-DLBZAZTESA-N 421.316 3.370 0 40 HGAB O=C(O)CCC(=O)N1N=C(c2cc3ccccc3o2)C[C@]12C(=O)Nc1ccccc12 9303183 MCAFNBINNVGXIX-QFIPXVFZSA-N 403.394 3.082 0 40 HGAB CSC[C@H](C(=O)Nc1c(F)c(F)cc(F)c1F)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 9493316 XJARPZRUZVDKMN-HOTUBEGUSA-N 418.412 3.088 0 40 HGAB Cc1cc(NC(=O)CN2CCC(C(=O)N3CCCCCC3)CC2)n(-c2ccccc2)n1 9641473 MNOFRYRXEOSRRO-UHFFFAOYSA-N 423.561 3.234 0 40 HGAB CCOc1cccc2c(C)nc(Nc3nc(CSc4ncccn4)cc(=O)[nH]3)nc12 9939059 RYMSDTGKMHLPKR-UHFFFAOYSA-N 421.486 3.246 0 40 HGAB CN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1ccc(S(=O)(=O)N(C)C)cc1 10109346 SBTFCYGQIHYSLR-UHFFFAOYSA-N 400.422 3.228 0 40 HGAB Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)NCCCN(C)C)ccc2C)c1 10111457 FPHYRAQJKKZWII-UHFFFAOYSA-N 403.548 3.094 0 40 HGAB COc1ccc(S(=O)(=O)CCCC(=O)Nc2nc(-c3cccnc3)cs2)cc1 10218671 QTDVCBVMNYFJRJ-UHFFFAOYSA-N 417.512 3.406 0 40 HGAB CCOc1cc([C@@H]2C(C(N)=O)=C(C)N=C3N=C(C)NN32)ccc1OCc1ccccc1 10434293 PNCTZPIGAMSBFF-OAQYLSRUSA-N 419.485 3.073 0 40 HGAB COc1ccc(NC(=O)C[C@H]2CCCCN2S(=O)(=O)c2ccc(F)cc2)cc1 11612810 VVZDAXXUAFCQLY-QGZVFWFLSA-N 406.479 3.406 0 40 HGAB O=C(c1cccc(N2CCCCS2(=O)=O)c1)N1CCC[C@H]1c1nc2ccccc2[nH]1 12116090 ARHRFXFTZBUNJG-FQEVSTJZSA-N 424.526 3.470 0 40 HGAB CN1C(=O)N[C@@H](c2ccc(F)cc2)[C@@H](C(=O)c2cccs2)[C@@]1(O)C(F)(F)F 12560857 LWGIRDKQTGACFI-HEHGZKQESA-N 402.369 3.333 0 40 HGAB Cc1cc(Br)c(NC(=O)Cn2ccccc2=O)c(Br)c1 12772657 NGSGELZGPIVJDR-UHFFFAOYSA-N 400.070 3.320 0 40 HGAB CN(CC(=O)Nc1nc(-c2ccccc2)cs1)Cc1nc2ccccc2c(=O)[nH]1 12807773 JEJQCMBQVUEJFC-UHFFFAOYSA-N 405.483 3.117 0 40 HGAB COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3nc(CCCO)nn32)cc1 13123519 OBAFGHPNKQGMRQ-OAQYLSRUSA-N 419.485 3.139 0 40 HGAB CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)N1CCN(c2ccccc2F)CC1 13140350 PBWWNGZAGAKCCO-FQEVSTJZSA-N 419.447 3.207 0 40 HGAB C[C@H](NC(=O)c1ccc(Cl)cc1)c1nnc(SCC(=O)NC2CCCC2)n1C 13567175 XGPMZRTXZFSUBD-LBPRGKRZSA-N 421.954 3.110 0 40 HGAB Cc1cc(O)c2c(C)c(CC(=O)N3CCN(Cc4ccccc4)CC3)c(=O)oc2c1 13623655 BNBCKSJYIJSHQL-UHFFFAOYSA-N 406.482 3.002 0 40 HGAB CCCCN1C(=O)C[C@H](C(=O)Nc2nccs2)[C@@H]1c1cccc(OC)c1OC 13689113 BNVWQQBTEWNRIK-YOEHRIQHSA-N 403.504 3.489 0 40 HGAB COc1ccc([C@@H]2CN(Cc3cccc(C)n3)C[C@H]2c2cc(=O)[nH]c(C)n2)cc1OC 19236328 YWRCGPZJLOKECA-VQTJNVASSA-N 420.513 3.182 0 40 HGAB O=C1NCC2(CCN(C(=O)Cc3ccc(F)cc3Cl)CC2)Oc2ccccc21 19374817 QTYIKIVXADEGMV-UHFFFAOYSA-N 402.853 3.205 0 40 HGAB O=C1C[C@H](C(=O)N2CCC[C@]3(CCC(=O)N3)[C@H]2c2ccc(F)cc2)c2ccccc2N1 19374877 VUWKEILZYWKZOP-ANJVHQHFSA-N 421.472 3.264 0 40 HGAB CC(C)CC(=O)N1CCO[C@@](Cc2cccc(-c3cccnc3)c2)(C(=O)N(C)C)C1 19446522 DQXPISBPIKUHOA-XMMPIXPASA-N 409.530 3.023 0 40 HGAB CS(=O)(=O)c1cnc(-c2cccnc2)nc1C1CCN(Cc2ccc(O)cc2)CC1 19573770 ZJIYHKMOPASEMD-UHFFFAOYSA-N 424.526 3.027 0 40 HGAB COc1cc(CN2CCC[C@H](c3ncccc3S(C)(=O)=O)C2)c(Cl)cc1O 19594931 CYGRXWULQDPUJS-ZDUSSCGKSA-N 410.923 3.232 0 40 HGAB CN(Cc1ccc(/C=C/C(=O)Nc2ccc(C(F)(F)F)cc2)o1)S(C)(=O)=O 20449951 PWWORMNQCUALBA-MDZDMXLPSA-N 402.394 3.342 0 40 HGAB O=C(CCC(=O)N1CCC(c2noc3cc(F)ccc23)CC1)NCc1ccncc1 20714898 UZTQGZRIUDNSPI-UHFFFAOYSA-N 410.449 3.165 0 40 HGAB COCCCNC(=O)c1nn(-c2ccccc2)c2c1Cc1cc(OC)c(OC)cc1-2 20728421 DEZDMNHWEGJCED-UHFFFAOYSA-N 407.470 3.227 0 40 HGAB CC(C)[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CCc2[nH]c3ccccc3c2C1 21469300 KXTVGCOWYSKZPZ-LJQANCHMSA-N 417.556 3.117 0 40 HGAB CC[C@@H](NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1)c1ccc(OC)cc1 21836898 CKZPTZAENJIUIL-GOSISDBHSA-N 410.923 3.237 0 40 HGAB C[C@H](O)CNCCNCc1cc(Br)ccc1OCc1ccccc1F 22075575 RZRBAHQZIVMCLK-AWEZNQCLSA-N 411.315 3.227 0 40 HGAB COc1ccc(CN(C)C(=O)c2ccc(CS(=O)(=O)N3CCCCC3)cc2)cc1 22515821 GZDPMAWQOPAFAD-UHFFFAOYSA-N 416.543 3.283 0 40 HGAB COc1ccc(CN2CCN(Cc3nc4ccc(Cl)cc4c(=O)[nH]3)CC2)cc1F 22933947 XMSPASQLATXNIR-UHFFFAOYSA-N 416.884 3.042 0 40 HGAB COc1ccc(OC)c(S(=O)(=O)N2CCC[C@H](c3nnc(CC(C)(C)C)o3)C2)c1 23140384 AINMATBTTSBOQI-AWEZNQCLSA-N 423.535 3.244 0 40 HGAB Cc1[nH]c(C(=O)N2CCN(Cc3ccccc3F)CC2)c(C)c1C(=O)OC(C)C 23441776 JJUYGLWSZNYOOO-UHFFFAOYSA-N 401.482 3.294 0 40 HGAB COc1ccccc1-c1cc(COC(=O)c2cc(S(C)(=O)=O)ccc2C)on1 26238259 XCHBBSIQEUUGJZ-UHFFFAOYSA-N 401.440 3.419 0 40 HGAB Cc1ccc(CN2CCCN(C(=O)c3ccc(C)c(NS(C)(=O)=O)c3)CC2)cc1 29092288 KWAJPYSZAYQVIT-UHFFFAOYSA-N 415.559 3.023 0 40 HGAB COc1cc2c(cc1OC)-c1c(c(C(=O)NCCN(C)C)nn1-c1ccc(C)cc1)C2 31814431 ISOKWGHBUQIENI-UHFFFAOYSA-N 420.513 3.061 0 40 HGAB COc1ccc(-c2nnc(SCC(=O)Nc3ccc(F)c(F)c3)nc2O)cc1 32778616 MACAIIQUCLYHKW-UHFFFAOYSA-N 404.398 3.262 0 40 HGAB CCOc1ccccc1COC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 32910601 PTLDWNKIZJVAIC-IBGZPJMESA-N 403.500 3.372 0 40 HGAB Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1 35380406 KLNLARZMINRRRC-UHFFFAOYSA-N 404.514 3.110 0 40 HGAB Cc1nc2n(c(=O)c1C)CN(Cc1ccc3c(c1)OCO3)CN2c1ccc(F)cc1 35581160 XBVVSPCSKRPSOM-UHFFFAOYSA-N 408.433 3.297 0 40 HGAB CC[C@@H](CCNS(=O)(=O)c1ccc(NC(=O)OC)cc1)n1cc(Cl)cn1 36615072 MJEDUZKKNCUOSN-AWEZNQCLSA-N 400.888 3.035 0 40 HGAB C[C@@H]1CCCCN1Cc1ccccc1CNC(=O)CCN1C(=O)c2ccccc2C1=O 40112330 KZDQYZPXIFGDPV-GOSISDBHSA-N 419.525 3.364 0 40 HGAB COc1ccc(OC)c([C@@H](C)NC(=O)[C@H]2CCCN(c3ccc(Cl)nn3)C2)c1 40131408 BKFQIDINDQHUPC-KGLIPLIRSA-N 404.898 3.241 0 40 HGAB COc1ccc(S(=O)(=O)N(C)CCCc2cc(-c3ccccc3)n(C)n2)cc1F 40152916 UAXHVSLDQDLLTP-UHFFFAOYSA-N 417.506 3.488 0 40 HGAB O=C(NCc1ccc(-n2cncn2)nc1)Nc1cccc(COC[C@@H]2CCCCO2)c1 48302451 JDAVHBUKHPMBGC-FQEVSTJZSA-N 422.489 3.070 0 40 HGAB COc1cccc([C@H](CNS(=O)(=O)c2ccccc2OC(F)(F)F)N(C)C)c1 48325212 NVPARFHGOXSQJB-HNNXBMFYSA-N 418.437 3.175 0 40 HGAB COC(=O)[C@@H](CNS(=O)(=O)c1ccccc1C(F)(F)F)Cc1ccc(F)cc1 48325827 UBEKMPHFQSERIO-CYBMUJFWSA-N 419.396 3.155 0 40 HGAB CN(C)C(=O)COc1cccc(C(=O)Nc2nc(-c3ccc4c(c3)CCO4)cs2)c1 48367502 YGUNCVVOCMUNGM-UHFFFAOYSA-N 423.494 3.464 0 40 HGAB COc1ccc(C(=O)N2CCC[C@H](C(=O)N(C)Cc3nccn3C)C2)c2ccccc12 49604845 AJXFYBRQLOKVAO-KRWDZBQOSA-N 420.513 3.093 0 40 HGAB Cc1nc(N2CCN(Cc3ccccc3)CC2)[nH]c(=O)c1CCOc1ccccc1 58008535 CRXPKDBLIVBNOJ-UHFFFAOYSA-N 404.514 3.022 0 40 HGAB Cc1cc(NS(=O)(=O)c2ccc(OCC(=O)O)c(C)c2)ccc1Br 58377311 PJCMFQJHXPEORL-UHFFFAOYSA-N 414.277 3.330 0 40 HGAB CCOCc1ccc(C(=O)N2CCCC[C@H]2c2nc3c(c(NC)n2)CN(C)CC3)cc1 72372313 GIHCPBNDPXRRBI-NRFANRHFSA-N 423.561 3.410 0 40 HGAB O=C(N[C@H]1CCN(c2ccc(-c3ccccc3F)nn2)C1)c1ccc2c(c1)OCO2 90591823 MGOFVMDMSBIFTC-HNNXBMFYSA-N 406.417 3.020 0 40 HGAB O=C(Nc1nc(-c2cccc(F)c2)cs1)N1CCN(c2ncc(F)cn2)CC1 95940088 AZVHXXRSEDWSDX-UHFFFAOYSA-N 402.430 3.232 0 40 HGAB O=C(CCc1ccccc1Br)N1CC(S(=O)(=O)C2CCCCC2)C1 96104342 RRPSWEBHTJMIPP-UHFFFAOYSA-N 414.365 3.340 0 40 HGAB COC(=O)C[C@@H]1SC(=O)N[C@@]12Oc1ccccc1[C@H]1CC(c3ccccc3)=NN12 103174136 CEHBDOODFBGBGJ-MMOPVJDHSA-N 409.467 3.272 0 40 HGAB CCOc1ccccc1N(CCCC(=O)Nc1ccccc1OC)S(C)(=O)=O 113962100 XUEPCGIRKLOWOE-UHFFFAOYSA-N 406.504 3.279 0 40 HGAB CC[C@H](NC(=O)CCc1ccc(OC)c(OC)c1)c1ccc(S(C)(=O)=O)cc1 219282560 ZFYMWUBAZGUEMW-SFHVURJKSA-N 405.516 3.307 0 40 HGAB CCOc1ccc(CCCNC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)cc1 219697893 QPQQAJZIJFUWGA-UHFFFAOYSA-N 424.950 3.108 0 40 HGAB COc1cccc(CCCNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)c1 219983851 ZXKJDKVOOZJJII-UHFFFAOYSA-N 416.543 3.232 0 40 HGAB COc1ccccc1[C@H](C)NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1 223287934 ODXDLCRXNHGVFH-AWEZNQCLSA-N 400.500 3.034 0 40 HGAB Cc1cc2c(cc1S(=O)(=O)NCc1ccc(Cl)cc1Cl)oc(=O)n2C 223332411 NECQXIONFKLZTC-UHFFFAOYSA-N 401.271 3.225 0 40 HGAB CCn1c(=O)oc2cc(S(=O)(=O)Nc3cc(-c4ccccc4C)[nH]n3)c(C)cc21 223360133 DLRHYOKETRHGQW-UHFFFAOYSA-N 412.471 3.422 0 40 HGAB CCOC(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)c1ccc2ccccc2c1 225053648 CZOKPRYTZDRNAC-UHFFFAOYSA-N 413.451 3.327 0 40 HGAB CCCn1c(=O)sc2cc(S(=O)(=O)NCc3cccc(OCC)c3)ccc21 225728623 BMOHKBQAVCSQIA-UHFFFAOYSA-N 406.529 3.350 0 40 HGAB O=C(c1ccc2c(c1)OCCO2)N1CCC[C@H](c2cccc(Nc3cnccn3)n2)C1 257202466 ALYKNTYCAFSCIX-KRWDZBQOSA-N 417.469 3.406 0 40 HGAB Cc1ccc(O[C@H](C)C(=O)N2CCC(c3cncc(Nc4cnccn4)n3)CC2)cc1 257242906 IERAAVUPLYJEOY-QGZVFWFLSA-N 418.501 3.492 0 40 HGAB CN(C)C(=O)c1sc2ncccc2c1[C@H]1CCCN(C(=O)c2ccc(O)nc2)C1 257254859 KEZFWFVOKWWUHL-AWEZNQCLSA-N 410.499 3.119 0 40 HGAB Cc1ccc(CN2CCOC[C@]3(CC[C@@H](CNC(=O)c4ccc(C)cc4)O3)C2)cc1 306135790 PAXKMWPDJXWEKB-ZCYQVOJMSA-N 408.542 3.483 0 40 HGAB Cc1ccc(S(=O)(=O)N2CC3(C2)OCC[C@@H]3CCOCc2cccc(C)n2)cc1 306137418 QVVQCEQPJCZGHF-IBGZPJMESA-N 416.543 3.085 0 40 HGAB Cc1ccsc1CN1C[C@H]2Cc3nnc(C(=O)Nc4cccc(F)c4)n3C[C@@H]2C1 306138937 SLDIFKOWBQPBHO-CABCVRRESA-N 411.506 3.344 0 40 HGAB O=C(Nc1ccccc1)c1nnc2n1C[C@@H]1CN(Cc3cccc(Cl)c3)C[C@@H]1C2 306143050 XRTUHKRTKKHDMO-IRXDYDNUSA-N 407.905 3.488 0 40 HGAB COC(=O)CN1C(=O)N/C(=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)C1=O 408548271 FNAUGHPKWFAQSK-VCHYOVAHSA-N 423.856 3.409 0 40 HGAB Cc1cc(S(=O)(=O)N2CCCCC2)ccc1OCC(=O)Nc1ccc(F)cc1 408591352 LHMFWPCGRNXJTR-UHFFFAOYSA-N 406.479 3.326 0 40 HGAB C[C@@H]1C=CC[C@H]2C(=O)N(c3ccc(C(=O)OCC(=O)Nc4ccccc4)cc3)C(=O)[C@@H]12 408656552 FJTNDEXFEYLNCB-VMRPVKRXSA-N 418.449 3.184 0 40 HGAB COc1cccc(CNC(=O)c2ccccc2NC(=O)C(=O)N[C@H]2CCCC[C@H]2C)c1 408710237 UCKDQFRXLMSSPI-UZLBHIALSA-N 423.513 3.259 0 40 HGAB O=C(N[C@H]1C(=O)N/[N+](=C\c2ccccc2Cl)[C@H]1c1ccccc1)c1ccc(F)cc1 409059902 YKNAWCUOBNXHSF-CIPQKONYSA-O 422.867 3.495 0 40 HGAB COCCN(C[C@@H]1CC2(CCN(C(=O)c3sc(C)nc3C)CC2)CO1)C(C)C 585105124 YSDZMDFVZBNLRH-SFHVURJKSA-N 409.596 3.128 0 40 HGAB COCCN1Cc2ccccc2CC2(CCN(C(=O)OC3CCCC3)CC2)C1=O 585105926 ZNNBSZKSJIHARR-UHFFFAOYSA-N 400.519 3.379 0 40 HGAB C[C@H](C(=O)NCc1csc(-c2ccccc2)n1)n1nc(-c2ccncc2)ccc1=O 585220736 YODKNLNIDJFYLU-OAHLLOKOSA-N 417.494 3.306 0 40 HGAB C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)c3ccccc3Cl)cc2)C[C@@H](C)O1 645284 HANMWCZIRLMFBO-ZIAGYGMSSA-N 408.907 3.390 0 40 HGAB Cc1cc(NC(=O)Cn2cc(I)cn2)ccc1Br 1432144 OTNRGKMMAFPYOA-UHFFFAOYSA-N 420.048 3.197 0 40 HGAB COc1cccc(-c2cc(C(F)(F)F)n3ncc(C(=O)NC[C@@H]4CCCO4)c3n2)c1 2206479 ONKFNPXZADXJEQ-AWEZNQCLSA-N 420.391 3.333 0 40 HGAB Cc1cccc(N2CCN(C(=O)CCS(=O)(=O)c3ccc(Cl)cc3)CC2)c1C 2627100 RIWGDPFYJZIFLF-UHFFFAOYSA-N 420.962 3.469 0 40 HGAB Cc1cc(C(=O)CN2C(=O)N[C@](C)(c3ccccc3)C2=O)c(C)n1Cc1ccco1 3354287 NZFQXAAFKGYZJR-HSZRJFAPSA-N 405.454 3.396 0 40 HGAB COc1ccc(CCN2C[C@@H](C(=O)N[C@H]3CCCc4ccccc43)CC2=O)cc1OC 3413772 ONCHBCXBLZWPMI-FPOVZHCZSA-N 422.525 3.289 0 40 HGAB CCN(CC)C1=N[C@](C(=O)OC)(C(F)(F)F)N=C2Sc3cccc(C)c3N21 4623346 XTYVRGUZWAGBGC-INIZCTEOSA-N 400.426 3.406 0 40 HGAB Cc1ccc(C)c(NC(=O)CSc2nc(=O)n(CCCN(C)C)c3c2CCC3)c1 4851836 RQRMBCLTGKJDEA-UHFFFAOYSA-N 414.575 3.031 0 40 HGAB COc1ccc(OC)c(S(=O)(=O)N2CCn3cccc3[C@@H]2c2ccccc2F)c1 4853847 PSZNLYLPJUPBOZ-NRFANRHFSA-N 416.474 3.438 0 40 HGAB O=C(CN(C(=O)CNC(=O)c1cccs1)c1ccc(Cl)cc1)NC1CCCC1 4875730 IYOIOJJWXMGCOY-UHFFFAOYSA-N 419.934 3.223 0 40 HGAB CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)c2nc(-c3cccc(C)c3)no2)cc1 4998308 QOHINLXLOGUXIE-ZDUSSCGKSA-N 400.460 3.043 0 40 HGAB Cc1cc(C)c2nc(NC(=O)CSc3nnc(-c4ccco4)n3N)sc2c1 5193650 PHFOTMBEQPHGFO-UHFFFAOYSA-N 400.489 3.209 0 40 HGAB O=C(NCc1c(F)cccc1F)C(=O)Nc1c2c(nn1-c1ccccc1)CSC2 5412568 MTNDFPDXITUXFL-UHFFFAOYSA-N 414.437 3.152 0 40 HGAB Cc1ccc(C(=O)NCC(=O)NCC(=O)OC(c2ccccc2)c2ccccc2)cc1 6283816 YZNFYPCCQWMDJK-UHFFFAOYSA-N 416.477 3.174 0 40 HGAB CCC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1 6324821 AMAFDDWJOBWDDP-QGZVFWFLSA-N 404.532 3.191 0 40 HGAB Cc1c(CC(=O)NC2CCN(Cc3ccccc3)CC2)c(=O)oc2c(C)c(O)ccc12 6658913 SFVAFVWAQCHVTK-UHFFFAOYSA-N 420.509 3.439 0 40 HGAB Cc1ccc(CN(C(=O)[C@H](C)Oc2ccccc2Cl)[C@@H]2CCS(=O)(=O)C2)o1 6810352 ZGTCBMQTCZURDR-LSDHHAIUSA-N 411.907 3.225 0 40 HGAB Cc1cc(N2C(=O)[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2=O)nn1Cc1c(Cl)cccc1Cl 6922261 OGYJEMNQVVWGSK-MDBPOYHNSA-N 406.269 3.213 0 40 HGAB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(N(C)C)cc3)C2=O)cc1 6948558 PUISWRUTBKRFPK-LDADJPATSA-N 411.483 3.436 0 40 HGAB O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1cccc(N2CCCC2=O)c1)c1ccco1 6987810 AKKCAXFWYFTQTB-FQEVSTJZSA-N 417.465 3.386 0 40 HGAB CCC(=O)c1ccc(OCC(=O)N(C)Cc2ccc(OC)c(OC)c2OC)cc1 7001544 DATQHXSAAQGVCU-UHFFFAOYSA-N 401.459 3.343 0 40 HGAB C[C@H]1Oc2ccc(NC(=O)CNC(=O)c3ccc(Cl)cc3Cl)cc2NC1=O 8014378 HJZLWYSBTAPQJL-SECBINFHSA-N 408.241 3.081 0 40 HGAB O=C(Cn1c(-c2cscn2)nc2ccccc21)N1CCN(c2ccccc2O)CC1 8163489 PSZXAFGKDISUQH-UHFFFAOYSA-N 419.510 3.214 0 40 HGAB COc1ccc(CNC(=O)C(=O)NC[C@@H](c2ccsc2)N2CCCCCC2)cc1 8893169 RJFRCHFWUDXRGF-FQEVSTJZSA-N 415.559 3.106 0 40 HGAB CC(C)[C@@H](C(=O)N[C@@H](C)Cc1c[nH]c2ccccc12)n1nnc2ccccc2c1=O 9051512 XUQSQLGCHHVREM-BTYIYWSLSA-N 403.486 3.217 0 40 HGAB Cc1cccc(Nc2nnc(SCC(=O)NC(=O)c3cccn3C)s2)c1C 9157705 AYNDEFGSZSMUGK-UHFFFAOYSA-N 401.517 3.286 0 40 HGAB CCOC(=O)c1c(NC(=O)CNc2cccc(Cl)c2)sc(C(=O)NC)c1C 9315856 DRQHZXKKOGHQRI-UHFFFAOYSA-N 409.895 3.297 0 40 HGAB CNS(=O)(=O)c1cccc(C(=O)Nc2ccc3nc(N4CCCC4)sc3c2)c1 10579596 JHENQGRPYGQNLU-UHFFFAOYSA-N 416.528 3.057 0 40 HGAB O=C(CCc1ccccc1)Nc1cc(-c2ccco2)nn1-c1nc2c(c(=O)[nH]1)CCC2 12009909 XCBZEQGIOREYGP-UHFFFAOYSA-N 415.453 3.276 0 40 HGAB CC1(C)Cc2nc(-c3ccncc3)ncc2[C@@H](NC(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)C1 12221116 LHQXRPCVKRCOSF-LPHOPBHVSA-N 421.545 3.315 0 40 HGAB COc1ccccc1N1CCN(C(=O)Cn2c(-c3ccc(C)cc3)n[nH]c2=S)CC1 12545264 FWMRPFLTADXJPZ-UHFFFAOYSA-N 423.542 3.274 0 40 HGAB CN1C(=O)N[C@H](c2ccc(F)cc2)[C@H](C(=O)c2cccs2)[C@@]1(O)C(F)(F)F 12560863 LWGIRDKQTGACFI-XJKCOSOUSA-N 402.369 3.333 0 40 HGAB Cc1nnc(S[C@@H](C(=O)N2CCOCC2)c2ccccc2)n1Cc1ccccc1 12808819 MUHBWMYMCYDSMK-HXUWFJFHSA-N 408.527 3.327 0 40 HGAB Cc1cc(Cl)cc(C)c1OCC(=O)NCc1ccc(CN2CCOCC2)cc1 12885071 HSXYSQLYFZGXRW-UHFFFAOYSA-N 402.922 3.484 0 40 HGAB CC[C@@H](C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1)c1ccccc1 12889158 KAJCEAUZKGHADL-LJQANCHMSA-N 402.516 3.148 0 40 HGAB COc1cc2c(cc1OC)CN(C[C@H](O)COc1ccc(Br)cc1)CC2 12904113 IUHWDFPIIVOATI-KRWDZBQOSA-N 422.319 3.264 0 40 HGAB CCc1cc(C(=O)N(CC(C)C)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)sc1C 13012760 VZTFBHWTPZTQPZ-UHFFFAOYSA-N 406.552 3.010 0 40 HGAB O=C(CNS(=O)(=O)c1cccc(Br)c1)OCc1ccccc1Cl 13014373 QDNSTLLLIVAVHJ-UHFFFAOYSA-N 418.696 3.124 0 40 HGAB COc1cc(/C=C2/SC(=N)NC2=O)cc(Cl)c1OS(=O)(=O)c1ccccc1 13942670 ZRYIJXOVWIMVEL-NTEUORMPSA-N 424.887 3.255 0 40 HGAB CN(CC(=O)Nc1ccccc1OC(F)(F)F)S(=O)(=O)c1ccc(Cl)cc1 14190056 RNZIXXVRKRYVLI-UHFFFAOYSA-N 422.812 3.498 0 40 HGAB COc1c(Cl)cc(C(=O)NCc2ccccc2S(=O)(=O)N(C)C)cc1Cl 14804322 ZNBTVQNLYPEGQR-UHFFFAOYSA-N 417.314 3.182 0 40 HGAB O=C(Cn1cnc2scc(-c3ccccc3)c2c1=O)NC(=O)Nc1ccccc1 16056032 FXWDBJPXNMSNCG-UHFFFAOYSA-N 404.451 3.473 0 40 HGAB CC(=O)Nc1ccc(-c2ccc(S(=O)(=O)Oc3ccccc3C(N)=O)cc2)cc1 16727246 LEFBZOHZSNDIMN-UHFFFAOYSA-N 410.451 3.179 0 40 HGAB O=C(CCCNC(=O)c1ccc(F)cc1F)Nc1ccc(N2CCCC2=O)cc1 18104730 JBIQOEQRDCMROE-UHFFFAOYSA-N 401.413 3.240 0 40 HGAB COc1ccccc1-c1cc2ncc3c(n2n1)C[C@H]1CC[C@@H]3N1C(=O)c1ccn(C)n1 19290855 PGCNGFHYCPRTJD-KUHUBIRLSA-N 414.469 3.040 0 40 HGAB C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1nc3c(s1)CCCCCC3)C2=O 19496137 ICDOEJQMGORRCM-RNODOKPDSA-N 404.536 3.241 0 40 HGAB CCc1ccc(NC(=O)[C@@H](C)N2CCN(Cc3ccc(OC)c(OC)c3)CC2)cc1 19671283 WNLOIMFPGYHNDM-GOSISDBHSA-N 411.546 3.411 0 40 HGAB CC1CCN(C(=O)CN2CCCC[C@@H]2c2cc(C(F)(F)F)c3c(N)n[nH]c3n2)CC1 19743400 GXNJCNLCCAUALR-OAHLLOKOSA-N 424.471 3.344 0 40 HGAB Cc1ccc(C)c(N(CC(=O)N[C@H]2CCCc3ccccc32)S(=O)(=O)N(C)C)c1 22517732 ILSJWYZSWHHBHO-FQEVSTJZSA-N 415.559 3.110 0 40 HGAB COc1ccc(-c2noc(CCC(=O)NC[C@@H](c3ccc(OC)cc3)N(C)C)n2)cc1 22621370 OWIYHRIVXBDEHF-FQEVSTJZSA-N 424.501 3.106 0 40 HGAB CCc1nc2sc([C@H](c3ccccc3F)N3CCC(C(=O)OC)CC3)c(O)n2n1 22853615 ITCXVQBXZMPUDN-INIZCTEOSA-N 418.494 3.172 0 40 HGAB O=C1O[C@H](CC(=O)N2CCN(Cc3nc4ccccc4s3)CC2)c2ccccc21 23873362 GEAZFTFZCFFIOZ-GOSISDBHSA-N 407.495 3.242 0 40 HGAB O=C([C@H]1COc2ccccc2O1)N1CCN(Cc2csc(-c3ccccc3)n2)CC1 23882379 MHTAGJCXLRWREF-OAQYLSRUSA-N 421.522 3.294 0 40 HGAB O=C(CNC(=O)c1ccc2ccccc2c1)NCCCN1CCc2ccccc2C1 29840018 OUBOMKAJMYSUAP-UHFFFAOYSA-N 401.510 3.134 0 40 HGAB O=C(NCc1cccs1)c1cccc(S(=O)(=O)N2CCc3sccc3C2)c1 30551820 BUWWRJVFUDRLBG-UHFFFAOYSA-N 418.565 3.487 0 40 HGAB COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cc(Cl)c2c(c1)OCCO2 32716609 RARKEVMHLDREPL-QGZVFWFLSA-N 414.845 3.107 0 40 HGAB CN(CCOc1ccc(F)cc1)C(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O 32788815 NSLIHIQXXAJGBU-UHFFFAOYSA-N 422.412 3.366 0 40 HGAB CC(C)(C)NC(=O)c1ccc(NC(=O)CCCN2C(=O)c3ccccc3C2=O)cc1 32908652 ZVRGSIYNQHTHLR-UHFFFAOYSA-N 407.470 3.230 0 40 HGAB Cc1ccc(-c2cc(C(=O)N3CCc4ccccc43)nn2[C@H]2CCS(=O)(=O)C2)cc1 33325612 SNOFXFUPPDJBMU-IBGZPJMESA-N 421.522 3.421 0 40 HGAB COc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]3[C@H]3CCCN23)cc1 33635589 PPKBCXDRJPIAHD-WTGUMLROSA-N 424.884 3.184 0 40 HGAB COc1ccc(CNC(=O)CN(C(=O)c2csnn2)c2ccc(Cl)cc2)cc1 35289216 NNUQZQYOIWQIPT-UHFFFAOYSA-N 416.890 3.163 0 40 HGAB NC(=O)N[C@@H](CC(=O)NCCc1ccc(F)cc1)c1ccc(Br)cc1 40069174 VUMPSHRUCAPSLK-INIZCTEOSA-N 408.271 3.047 0 40 HGAB CCCn1c(SCCCN2C(=O)NC(C)(C)C2=O)nnc1-c1cccc(C)c1 40089663 JCWISBRQGMVRJP-UHFFFAOYSA-N 401.536 3.476 0 40 HGAB CC[C@@H](C)n1c(=O)c2ccccc2n(CC(=O)Nc2ccc(OC)c(Cl)c2)c1=O 44840126 DUMJCRKGHRHAEI-CYBMUJFWSA-N 415.877 3.435 0 40 HGAB Cc1ccc(CN2CCC(C(=O)N[C@@H](C)c3ccc(S(C)(=O)=O)cc3)CC2)cc1 44857119 XGFPOQYJKMCLND-SFHVURJKSA-N 414.571 3.488 0 40 HGAB C[C@]12CCC(=O)N1c1ccccc1C(=O)N2CCC(=O)N[C@H]1CCc2ccccc21 45897186 KVFFFMKCEUHDRA-YADARESESA-N 403.482 3.179 0 40 HGAB CN(C)Cc1ccc(CNC(=O)Nc2cccc(S(=O)(=O)NC(C)(C)C)c2)cc1 48365919 VWQMARBCZAMYHM-UHFFFAOYSA-N 418.563 3.147 0 40 HGAB Cc1ccc(-n2cc(C(=O)N3CCC(NC(=O)CCC4CCCC4)CC3)nn2)cc1 49405952 SVJAJLMHKOPBKG-UHFFFAOYSA-N 409.534 3.267 0 40 HGAB CCOC(=O)[C@H]1CCCN(C(=O)c2ccc(-n3c(C)nc4ccccc4c3=O)cc2)C1 52818466 QFMFMUWIRXTOIM-SFHVURJKSA-N 419.481 3.109 0 40 HGAB CCOC(=O)C1=C(CN2C[C@@H](C)C[C@H](C)C2)NC(=O)N[C@H]1c1ccc(Cl)cc1 55220606 GNKWWMYSQVHRQX-NJSLBKSFSA-N 405.926 3.489 0 40 HGAB O=C1COc2cc(S(=O)(=O)N3CCC[C@H]3c3cccc(F)c3)c(Cl)cc2N1 56127614 ZCTSDBSQJBWCHG-HNNXBMFYSA-N 410.854 3.336 0 40 HGAB CCCOc1c(Cl)cc(/C=C/C(=O)N[C@@H](Cc2ccccc2)C(N)=O)cc1OC 58009502 WLRADELWTQGFBR-BBVFFXRHSA-N 416.905 3.363 0 40 HGAB O=C(OCc1nc(O)c2ccc(C(F)(F)F)cc2n1)c1ccc2c(c1)OCCO2 58162104 UVEGYFTWXWHTMJ-UHFFFAOYSA-N 406.316 3.482 0 40 HGAB O=C(NCCN1CCc2ccccc2C1)NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1 65476385 WQYVUXUDFYXTSH-KRWDZBQOSA-N 414.500 3.149 0 40 HGAB CCc1ccc(-c2cc3c(=O)n(CC(=O)Nc4cc(C)ccc4OC)ncn3n2)cc1 67208914 KIMXHUUUHRFWIU-UHFFFAOYSA-N 417.469 3.076 0 40 HGAB Cc1ncsc1C(=O)N[C@H](Cn1nc(-c2ccc(F)c(F)c2)ccc1=O)C(C)C 72324170 CECXJMFMLMGUNP-QGZVFWFLSA-N 418.469 3.408 0 40 HGAB CC(=O)Nc1cccc(-c2nccnc2[C@@H]2CCCN(C3CCN(C(C)=O)CC3)C2)c1 72359109 GESONMXEORMHGU-HXUWFJFHSA-N 421.545 3.292 0 40 HGAB C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N1CCC(c3c[nH]c4ccccc34)CC1)C2=O 95348579 GSRQKPJMYGICAF-GYCJOSAFSA-N 422.529 3.375 0 40 HGAB CCc1ccc([C@H]2CCCCN2S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)o1 95402897 JIHIMNLBGRKMIL-QGZVFWFLSA-N 411.545 3.470 0 40 HGAB CCN1C[C@@H](C)N(C(=O)c2cccc(S(=O)(=O)Cc3ccccc3)c2)C[C@@H]1C 95451837 VKGQRORNDPCRHO-ZWKOTPCHSA-N 400.544 3.215 0 40 HGAB CC(C)c1cccc(NC(=O)N2CCC[C@H](c3n[nH]cc3NS(C)(=O)=O)C2)c1 95999232 DXISCVQBZMHBLK-HNNXBMFYSA-N 405.524 3.316 0 40 HGAB CCCCN(CC)C(=O)c1cc(-c2cnc(N3CCOCC3)nc2)cn1CC1CC1 96037719 AAHYLWUIYRKQFR-UHFFFAOYSA-N 411.550 3.454 0 40 HGAB CN1CCN(C(=O)C[C@H]2CC3(CCN(Cc4ccccn4)CC3)c3ccccc32)CC1 96052942 MIIXEGRINMIQGT-NRFANRHFSA-N 418.585 3.267 0 40 HGAB CC(C)CCN1[C@H]2CCN(C(=O)NC(C)C)CC[C@@H]2Oc2ccccc2S1(=O)=O 96145824 LNYRLCULJFIMKX-ROUUACIJSA-N 423.579 3.067 0 40 HGAB CC(C)CCN1Cc2c(C(=O)N3CCC[C@@H]3C)ncn2-c2ccccc2S1(=O)=O 96147513 LCAAUKDCGXWOTP-INIZCTEOSA-N 416.547 3.047 0 40 HGAB COc1ccccc1[C@@H](CNS(=O)(=O)c1ccc(Br)s1)OC 96385039 BNMGWJFIADZHHC-GFCCVEGCSA-N 406.323 3.185 0 40 HGAB C[C@@H](C(=O)N1CCc2ccccc21)N1CCN(CCOc2ccc(Cl)cc2)CC1 96833077 OCCLHIUWMNENCP-SFHVURJKSA-N 413.949 3.314 0 40 HGAB COc1ccc2c(c1)OCC(/C=C1/N=C(c3cc(OC)c(OC)c(OC)c3)OC1=O)=C2 96939614 CQAUSLRBHOTOOC-CAOOACKPSA-N 423.421 3.384 0 40 HGAB CCn1[nH]cc/c1=N\C(=O)c1cc(S(=O)(=O)N(C)c2ccccc2)ccc1Cl 105073589 SHBXKXVUCSFNLK-RELWKKBWSA-N 418.906 3.056 0 40 HGAB CC[C@@H](C(=O)NCCOc1ccc(C)cc1)N(c1cccc(C)c1)S(C)(=O)=O 220516757 LPXQQSXCBBVMFI-FQEVSTJZSA-N 404.532 3.043 0 40 HGAB CC[C@H](C(=O)N[C@H](C)c1ccc(F)cc1)N(c1ccc(OC)cc1)S(C)(=O)=O 220657738 XDOGDQMTWNUSIL-AUUYWEPGSA-N 408.495 3.256 0 40 HGAB CC(C)c1ccccc1OCCNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 223799246 JHGIVXNRQKFBCM-UHFFFAOYSA-N 416.543 3.403 0 40 HGAB Cc1cc(S(=O)(=O)NCCOc2cccc(C)c2C)ccc1N1CCCC1=O 223940596 WYNRZIUJZMIVMA-UHFFFAOYSA-N 402.516 3.096 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)NCCOc1ccccc1 224100583 LGKBLROMTJOYML-UHFFFAOYSA-N 416.543 3.369 0 40 HGAB CSc1nnc(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)s1 224625995 IUVQUEZFLFKZIG-UHFFFAOYSA-N 420.541 3.094 0 40 HGAB CNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)COc1ccc(F)cc1 225469137 JVXJOQJPNUJOCB-ZDUSSCGKSA-N 423.282 3.130 0 40 HGAB CNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)Cc1ccc(OC)cc1 225491294 XQKKTZJIUOQIEE-AWEZNQCLSA-N 419.319 3.164 0 40 HGAB COc1ccccc1[C@H](C)NC(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O 225649991 MIDZYZARUHQPDN-HNNXBMFYSA-N 408.495 3.258 0 40 HGAB Cc1ccc(-c2nnc(NC(=O)[C@H](c3ccccc3)N(C)S(C)(=O)=O)s2)cc1 225664759 WHMWHQATLYNTFD-INIZCTEOSA-N 416.528 3.085 0 40 HGAB O=C(c1ccccc1C(F)(F)F)N1CCC(n2c(=O)[nH]c3ccccc3c2=O)CC1 225760879 DDRBSLGDAOKTPD-UHFFFAOYSA-N 417.387 3.186 0 40 HGAB CC(C)CNC(=S)Nc1nc(Cl)cc(N2CCN(c3ccccc3)CC2)n1 225893456 DLBWLAFISOUKFW-UHFFFAOYSA-N 404.971 3.399 0 40 HGAB CC1CCN(c2cc(N3CCCC3)nc(NC(=S)NCc3cccnc3)n2)CC1 225939360 JCQBAFXBAVLMFB-UHFFFAOYSA-N 411.579 3.195 0 40 HGAB O=S(=O)(NC[C@@H](c1ccoc1)N1CCSCC1)c1ccc(C(F)(F)F)cc1 245171761 XUBPHAHATHUGEH-INIZCTEOSA-N 420.478 3.367 0 40 HGAB CCS(=O)(=O)N1C[C@H](C(=O)N[C@H](C)c2cc(C)ccc2C)Oc2ccccc21 250245461 OQRVMLKGCGHJRA-OXQOHEQNSA-N 402.516 3.098 0 40 HGAB CC(=O)N1CC[C@@H]2[C@H](CCCCN2Cc2ccc(C(C)(C)C)cc2OCC(N)=O)C1 257218111 DBXUCCZWBOUHAB-WIYYLYMNSA-N 415.578 3.071 0 40 HGAB CCN(CC)C(=O)CN1CCC2(CC=CCN(Cc3ccc(F)cc3)C2=O)CC1 257290376 QCSYDRWXLRPFMD-UHFFFAOYSA-N 401.526 3.065 0 40 HGAB Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)N[C@@H](C)C(C)C)Oc3ccccc32)cc1 260900033 RUWVEOCJTCSFBU-OXJNMPFZSA-N 402.516 3.112 0 40 HGAB CCOC(=O)Nc1cc(S(=O)(=O)Nc2cccc(NC(C)=O)c2)ccc1OC 408588077 XHFYTHMWHFUNHW-UHFFFAOYSA-N 407.448 3.023 0 40 HGAB CCOc1ccc(C(=O)N(C)Cc2ccccc2)cc1S(=O)(=O)N1CCCC1 408697282 ILKVEIHHLQUZQN-UHFFFAOYSA-N 402.516 3.142 0 40 HGAB Cc1cccc(NC(=O)Cn2nc(CNC(=O)c3ccccc3C)n(C)c2=S)c1 409151147 GLQSWTPTDSTHPY-UHFFFAOYSA-N 409.515 3.137 0 40 HGAB CCOCCCNC(=O)CN(Cc1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1 409388142 KMGIWMCZILUAFN-UHFFFAOYSA-N 418.559 3.037 0 40 HGAB CC(=O)N1CC2=C(C1=O)[C@H](c1cnn(C)c1)c1cn(CC(C)C)c3cccc(c13)N2 524729462 UYDYBDNJSOWIQU-HXUWFJFHSA-N 403.486 3.231 0 40 HGAB biogenic O=C(c1ccc(N2CCOCC2)cc1)N1CCC[C@H](Oc2ccncc2Cl)C1 575612256 KKLSZFYDRLJATI-SFHVURJKSA-N 401.894 3.255 0 40 HGAB NC(=O)c1c[nH]nc1[C@@H]1CCCN(CCOC(c2ccccc2)c2ccccc2)C1 583623082 PNHIMHOMUCLANF-HXUWFJFHSA-N 404.514 3.494 0 40 HGAB CSCC[C@H](N)C(=O)N1CCC(c2nc(C)cc(Nc3ncc(C)s3)n2)CC1 585263568 QCJSWBMQUZEOSB-HNNXBMFYSA-N 420.608 3.080 0 40 HGAB COc1cc(CCC(=O)Nc2nnc(-c3cccnc3)s2)cc(OC)c1OC 3242358 SWKFRQQJSUKFCC-UHFFFAOYSA-N 400.460 3.197 0 40 HGAB COC[C@H](C)n1c(SCC(=O)N2CCc3ccccc3C2)nc2ccccc2c1=O 3403325 ZBYNUFLJZXOLOC-INIZCTEOSA-N 423.538 3.281 0 40 HGAB COCCN(CCOC)c1nc(S(=O)(=O)c2ccc(C)cc2)c(Cl)s1 3529834 JLPJPMSKFITNCL-UHFFFAOYSA-N 404.941 3.037 0 40 HGAB CC(C)(C)c1cc(C(F)(F)F)nc(SCCNC(=O)c2cnn3cccnc23)n1 3645131 AMUOCIWYIKKDBQ-UHFFFAOYSA-N 424.452 3.358 0 40 HGAB Cc1ccc(Cn2c(=O)c3c(nc4n3C[C@H](C)CN4c3ccccc3)n(C)c2=O)cc1 4249176 VBTBIHKUMSCHNN-QGZVFWFLSA-N 415.497 3.041 0 40 HGAB Cc1cc(NC(=O)CSc2ncnc3c2cnn3-c2ccc(Cl)cc2)no1 4341662 AXTGMKCQNMEXLF-UHFFFAOYSA-N 400.851 3.496 0 40 HGAB Cc1ccccc1NC(=O)CSc1nnc([C@@H](C)NC(=O)c2ccccc2)n1C 4689833 WQXDLJQFCSMLCE-OAHLLOKOSA-N 409.515 3.345 0 40 HGAB CC1CCN(CCC2CCN([C@H]3CC(=O)N(c4ccc(F)cc4)C3=O)CC2)CC1 4727888 MEWMEYFRUOQIOW-NRFANRHFSA-N 401.526 3.292 0 40 HGAB Cc1noc(C)c1COC(=O)c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN12 4840852 YGRBLLFLUWZGCT-UHFFFAOYSA-N 403.460 3.130 0 40 HGAB CN1C(=O)N(C)C(=O)C2(Cc3ccc(F)cc3N3CC[C@@H](c4ccccc4)C[C@H]32)C1=O 4915824 GGMVVMZUTYGMMH-UZLBHIALSA-N 421.472 3.171 0 40 HGAB CSc1nnc2n1-c1nnc(SC)n1-c1sc3c(c1-2)C[C@@H](C(C)C)OC3 5024588 KBUXCPDTMGAGLI-VIFPVBQESA-N 406.562 3.431 0 40 HGAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COc1cc(C)ccc1C(C)C 6237526 KNIFNMXPEBAKLD-UHFFFAOYSA-N 420.531 3.395 0 40 HGAB Cc1ccc(NC(=O)Cc2nnc(SCC(=O)Nc3cccc(C)c3)n2C)cc1 6476990 ARCCLTZKEMIAQP-UHFFFAOYSA-N 409.515 3.344 0 40 HGAB CCOC(=O)Cn1c([C@@H]2CC(=O)N(c3cc(OC)ccc3OC)C2)nc2ccccc21 7544062 KALIWMCCKPBONE-OAHLLOKOSA-N 423.469 3.137 0 40 HGAB Nn1c(SCC(=O)NC2CCCCC2)nc2scc(-c3ccccc3)c2c1=O 7698887 YYYMTGPBFXJHMC-UHFFFAOYSA-N 414.556 3.380 0 40 HGAB CCNC(=O)[C@@H](C)OC(=O)c1ccccc1NS(=O)(=O)c1c(C)cc(C)cc1C 7940671 AFORKOKKJUJNDI-MRXNPFEDSA-N 418.515 3.094 0 40 HGAB CCNc1ccc(S(=O)(=O)N(CC)CC)cc1NCC(=O)Nc1ccccc1F 7978472 AICHJIOEUIDFIX-UHFFFAOYSA-N 422.526 3.339 0 40 HGAB CN1C2=C(C(=O)CCC2)C(c2ccc(OCC(N)=O)c(Cl)c2)C2=C1CCCC2=O 8091659 PWNKQOAQCSGGCN-UHFFFAOYSA-N 414.889 3.247 0 40 HGAB CCOc1ccccc1-n1nnnc1SCC(=O)Nc1cc(C(C)(C)C)no1 8132016 PAIDUFGKGHEIDH-UHFFFAOYSA-N 402.480 3.077 0 40 HGAB CC(=O)c1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(-c4ccc(Cl)cc4)nn32)cc1 8555613 NLYBDMNUHMFSKX-MRXNPFEDSA-N 409.833 3.323 0 40 HGAB C[C@H]1CCCCN1C(=O)COC(=O)CNC(=O)c1sc2ccccc2c1Cl 8629740 DEQWEODKAOPLPO-LBPRGKRZSA-N 408.907 3.229 0 40 HGAB CCN1CCc2c([nH]c3ccccc23)[C@H]1c1c(O)nc(O)n(-c2cccc(C)c2)c1=O 8994392 LXTDJZNSAGXKHD-OAQYLSRUSA-N 416.481 3.401 0 40 HGAB biogenic Cc1c(CC(=O)N2CCN(c3ccc(F)cc3)CC2)c(=O)oc2c(C)c(O)ccc12 9423806 ALVNJPKMIBBUTQ-UHFFFAOYSA-N 410.445 3.146 0 40 HGAB NS(=O)(=O)c1ccc(CCC(=O)N[C@H](c2ccc(F)cc2)c2cccs2)cc1 10291377 FXFDAQGPNXSOGS-HXUWFJFHSA-N 418.515 3.373 0 40 HGAB CS(=O)(=O)c1ccccc1NC(=O)CN1CCC(CCc2ccccc2)CC1 11155731 AQBTXFYOSJRCAW-UHFFFAOYSA-N 400.544 3.373 0 40 HGAB CC1=C(C(=O)Nc2cc(C)on2)[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)NC(=S)N1C 11204427 RGWXTWXRFAVNBQ-HNNXBMFYSA-N 421.866 3.318 0 40 HGAB O=C(c1ccc2c(c1)OCCO2)N1CCC[C@@H](c2ncncc2-c2ccncc2)C1 12088532 RUUZKNNPPDHUQI-GOSISDBHSA-N 402.454 3.330 0 40 HGAB CCCN(CC(=O)NCc1ccc(F)cc1)S(=O)(=O)c1cccc2cnccc12 12227827 KLCBCBFLRMJQRJ-UHFFFAOYSA-N 415.490 3.091 0 40 HGAB COCCn1c(C)c(C)c(S(=O)(=O)c2ccc(C)cc2)c1NC(=O)[C@@H]1CCCO1 12390816 RZLHRCSLRJXLDT-SFHVURJKSA-N 420.531 3.010 0 40 HGAB COc1ccc(OC)c2sc(N(C[C@H]3CCCO3)C(=O)c3cc(C)no3)nc12 12422340 MSBBPKVYKLJLEW-GFCCVEGCSA-N 403.460 3.436 0 40 HGAB Nc1nnc(SCC(=O)Nc2cc(Br)cc(Br)c2)s1 12428299 FRYNGSSCOCZCID-UHFFFAOYSA-N 424.143 3.376 0 40 HGAB NC(=O)[C@@H]1CN(CCOc2ccc(Cl)cc2Br)c2ccccc2O1 12636887 ZODQZCKQKWLXRG-INIZCTEOSA-N 411.683 3.234 0 40 HGAB CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)Nc1ccc(F)c(Cl)c1 12767289 UTOPUXOAPIFWQK-HXUWFJFHSA-N 401.825 3.417 0 40 HGAB CN(C)S(=O)(=O)c1cccc(NC(=O)Cc2csc(-c3ccccc3)n2)c1 12776476 JATNSTSBJNLRAH-UHFFFAOYSA-N 401.513 3.242 0 40 HGAB O=S(=O)(NCc1ccc(CN2CCOCC2)cc1)c1cc(Cl)cc(Cl)c1 12993427 UAKSLUGLMXDNGL-UHFFFAOYSA-N 415.342 3.304 0 40 HGAB CN1CCN(C(=O)CSc2nc3c(c(C(F)(F)F)n2)CCc2ccccc2-3)CC1 13425315 XEDVPLMITGLILP-UHFFFAOYSA-N 422.476 3.127 0 40 HGAB CC(C)COC(=O)[C@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OCC(C)C)[C@@H]1c1cccc(F)c1 13564493 MOBZJTQVGSXGLX-NVJIOZQYSA-N 422.493 3.264 0 40 HGAB CCc1ccc(N2C[C@@H](C(=O)Oc3ccc(N4C(=O)CCC4=O)c(C)c3)CC2=O)cc1 13857245 CUPOPMJINBCSPM-KRWDZBQOSA-N 420.465 3.169 0 40 HGAB Cc1ccc(S(=O)(=O)NCCc2csc3nc(-c4cccc(F)c4)nn23)s1 15784000 FTDWTHODHOHXIZ-UHFFFAOYSA-N 422.532 3.488 0 40 HGAB Cc1nn(-c2nc(C)c(C)c(=O)[nH]2)c(C)c1CCC(=O)Nc1nc2ccccc2s1 16980864 TVYUDORWLSGRJH-UHFFFAOYSA-N 422.514 3.370 0 40 HGAB O=C(NCCSCc1ccccc1)C1CCN(S(=O)(=O)c2ccccc2)CC1 18149991 YOMVJWRDZBGHJT-UHFFFAOYSA-N 418.584 3.137 0 40 HGAB Cc1ccc2c(c1)C(=O)N(CC(=O)N1CCCCCCC1)CC1(CCN(C)CC1)O2 19218536 QWPNDFWRRZBUMT-UHFFFAOYSA-N 413.562 3.087 0 40 HGAB O=C(CN1CCC(Oc2cnccn2)CC1)Nc1ccc(Oc2cccnc2)cc1 19658105 GAFKMPKZIUCMKI-UHFFFAOYSA-N 405.458 3.146 0 40 HGAB CCOC(=O)c1ccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2Cl)c(C)c1 19932482 ICWDKYYYAPUWMK-UHFFFAOYSA-N 410.879 3.449 0 40 HGAB COc1ccc(C)cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc2cc(F)ccc2F)C1 20016985 HIDHYTSGUQZAPU-AWEZNQCLSA-N 424.469 3.321 0 40 HGAB O=C(NCc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccccc1C(F)(F)F 20768485 PQRILDOERFNSTK-UHFFFAOYSA-N 412.433 3.420 0 40 HGAB CCc1ccc(OC(=O)CSc2nc(-c3ccccc3)nc3cc(=O)[nH]n23)cc1 21885400 BYWYKQSDGAMVHA-UHFFFAOYSA-N 406.467 3.345 0 40 HGAB CCOc1c(Cl)cc(Cl)cc1CNCCc1ccc(S(N)(=O)=O)cc1 22074725 YRUSZOYKPSIYKC-UHFFFAOYSA-N 403.331 3.372 0 40 HGAB O=C(CCN1CCN(CC(=O)Nc2ccccc2Cl)CC1)Nc1cccc(F)c1 22931134 SPWNKVQINMRSOP-UHFFFAOYSA-N 418.900 3.064 0 40 HGAB O=C(CCc1nc(-c2ccc(F)cc2)no1)N1CCN(Cc2cccs2)CC1 23736926 TUOJEQCNOHUBLN-UHFFFAOYSA-N 400.479 3.214 0 40 HGAB O=C(CCN1C(=O)NC2(CCCC2)C1=O)N[C@H](Cc1ccccc1)c1ccccc1 23762123 WCXQMECPXFFPHA-HXUWFJFHSA-N 405.498 3.341 0 40 HGAB Cc1cc(NC(=O)CSCC(=O)OCc2coc(-c3ccc(F)cc3)n2)no1 25082679 ZVUIUPJJVHCTBK-UHFFFAOYSA-N 405.407 3.192 0 40 HGAB Cc1nn(C)c2nc(C(C)C)cc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c12 25324820 PJYKCLVULDHUDV-UHFFFAOYSA-N 401.511 3.093 0 40 HGAB CCCn1c(CCC(=O)N[C@@H](C)CCCC(C)C)nc2cc(S(N)(=O)=O)ccc21 25345107 KEQRJEUVEBCILC-INIZCTEOSA-N 422.595 3.357 0 40 HGAB CN(CC(=O)N1CCCCC[C@@H]1c1cccn1C)S(=O)(=O)c1ccc(Cl)cc1 25462083 YFXJTYNWQSDDBS-LJQANCHMSA-N 423.966 3.443 0 40 HGAB O=C(CN1CCN(Cc2ccccc2)CC1)N1CCc2[nH]c3ccc(F)cc3c2C1 26257740 VDZBBHMQOMGALA-UHFFFAOYSA-N 406.505 3.010 0 40 HGAB CCc1ccc(OC[C@H](O)CN(c2nccs2)S(=O)(=O)c2ccccc2)cc1 28086430 NSEBNLIBZSBYCW-QGZVFWFLSA-N 418.540 3.341 0 40 HGAB Cc1ccc(C)c(C(=O)c2ccccc2C(=O)NCCNC(=O)c2cccn2C)c1 32754217 WCDXRQCBEQNAEI-UHFFFAOYSA-N 403.482 3.033 0 40 HGAB Cc1nc(N2CCN(c3ccc(F)cc3)CC2)c2nnn(Cc3ccccc3)c2n1 35313224 PSDFLPNDQSWUSX-UHFFFAOYSA-N 403.465 3.044 0 40 HGAB CC[C@H](CCNS(=O)(=O)c1cnn(C(F)F)c1C)n1ccc(C(F)(F)F)n1 36615128 JRMIXUJCDMDPAC-SNVBAGLBSA-N 415.388 3.122 0 40 HGAB Cc1ccc([C@@H]2C[C@H](c3ccccc3)N3NC(NC(=O)CCCC(=O)O)=NC3=N2)cc1 38161730 QFBRPESVYFHLCU-RBUKOAKNSA-N 419.485 3.084 0 40 HGAB CCN1C(=O)/C(=C/c2cn(CC(=O)N3CCCCC3)c3ccccc23)N(C)C1=S 39556369 YYBJKAIUGWGYJI-UYRXBGFRSA-N 410.543 3.074 0 40 HGAB O=C(Nc1nccs1)C1CCN(c2ncnc3c2cnn3-c2ccccc2)CC1 40149352 CCRRDDOBWMYINS-UHFFFAOYSA-N 405.487 3.127 0 40 HGAB COc1ccc(NC(=O)c2cc3cc(Cl)ccc3[nH]2)cc1S(=O)(=O)N(C)C 44337174 SJAVURPXYIWVIC-UHFFFAOYSA-N 407.879 3.333 0 40 HGAB CCOc1ccccc1CNC(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O 44899775 SPAQVWOYCBYYPJ-UHFFFAOYSA-N 408.495 3.087 0 40 HGAB NC(=O)COc1cccc(C(=O)OCC(=O)Nc2ccccc2-c2ccccc2)c1 44963660 QVVKVFRRVKKZKW-UHFFFAOYSA-N 404.422 3.013 0 40 HGAB C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)N1CCC(C(=O)Nc2nncs2)CC1 48303318 KQENXGTVCGVXAE-AWEZNQCLSA-N 416.547 3.480 0 40 HGAB O=C(NCCc1cccs1)c1ccc(Oc2nccnc2N2CCOCC2)cc1 49006097 DXFPPJNKSOMUGO-UHFFFAOYSA-N 410.499 3.140 0 40 HGAB O=C(COc1ccc2ccccc2c1)NCCN1CCN(c2ccc(F)cc2)CC1 56997235 OLYAQTHQBSTDEJ-UHFFFAOYSA-N 407.489 3.296 0 40 HGAB COc1ccc(OC)c([C@@H]2CCCN2[C@H](C(=O)N2CCOCC2)c2ccccc2)c1 57369308 AMTVJXRHFUKFRC-GMAHTHKFSA-N 410.514 3.441 0 40 HGAB CCCN(CCC)C(=O)Cn1c(=O)n(Cc2ccc(F)cc2)c(=O)c2sccc21 57426503 HTXKXKOIJBZMDE-UHFFFAOYSA-N 417.506 3.061 0 40 HGAB CCn1c(CN(C)Cc2ccccc2F)nc2cc(S(=O)(=O)N(C)C)ccc21 58169727 WYNUEBLGNKHZKW-UHFFFAOYSA-N 404.511 3.078 0 40 HGAB CC(C)(C)OC(=O)N1CCN(CCCNC(=O)c2ccc(C(F)(F)F)cc2)CC1 59034317 OILRTBMVADRRNR-UHFFFAOYSA-N 415.456 3.378 0 40 HGAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c2c1[C@@H](c1cccc(OC(C)C)c1)CC(O)=N2 71281717 QPLFKMISAPXYEK-NVXWUHKLSA-N 403.504 3.462 0 40 HGAB Cc1cc(C(=O)Nc2ccc([C@H]3OCC(=O)N(CC(C)C)[C@@H]3CO)cc2)c(C)o1 72321156 NFEQKALHCHVJKD-TZIWHRDSSA-N 400.475 3.066 0 40 HGAB biogenic,in-vitro CN(CC(=O)N[C@H](CC(C)(C)C)c1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 78940038 QTNBNVULLQIBRH-IAGOWNOFSA-N 400.972 3.052 0 40 HGAB O=C(Cc1coc(-c2ccc(Cl)cc2)n1)N1CCC(c2ccnn2CCO)CC1 95444573 RCWXHDXBMSNGOY-UHFFFAOYSA-N 414.893 3.133 0 40 HGAB CCN1CCn2c(-c3ccccc3)cnc2C12CCN(C(=O)c1cccn1C)CC2 96037040 VPFQJSRQMBIVJR-UHFFFAOYSA-N 403.530 3.356 0 40 HGAB COc1cccc(N2CCN([C@@H]3CC(=O)N(c4cccc5ccccc45)C3=O)CC2)c1 96299668 YQJFVIQUEDCEIU-HSZRJFAPSA-N 415.493 3.303 0 40 HGAB COC(=O)Nc1ccc(S(=O)(=O)NC[C@](C)(OC)c2cccc(Cl)c2)cc1 96393001 FPAZSOSERXXBSQ-SFHVURJKSA-N 412.895 3.358 0 40 HGAB Cc1cc(C)cc(N(CN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@H]3C2=O)C(=O)C(F)(F)F)c1 100395562 GEIPTPIPTRNSCC-KKFZBWNWSA-N 418.415 3.209 0 40 HGAB C[C@@H]1[C@@H](NC(=O)NC(=O)CSc2nnnn2-c2ccc(Cl)cc2)CCC[C@H]1C 102386086 IKIMOJPKUURAHF-XUJVJEKNSA-N 422.942 3.058 0 40 HGAB O=C(O)CN(c1ccccc1Cl)S(=O)(=O)c1ccc(Br)cc1 113873518 XCFQDFWVCLDKSE-UHFFFAOYSA-N 404.669 3.382 0 40 HGAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N(C)c3ccc(F)cc3)C2)cc1 222587591 QAIOOMZNVQEGFU-MRXNPFEDSA-N 420.506 3.288 0 40 HGAB CCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc3sncc3c2)cc1 222665488 OVZCPTANVZZBCP-UHFFFAOYSA-N 405.501 3.002 0 40 HGAB O=C(NCc1ccccc1)[C@@H]1CN(C(=O)COc2ccccc2)c2ccccc2O1 222951100 MNXCYBVRRXMALQ-QFIPXVFZSA-N 402.450 3.176 0 40 HGAB CCCSc1nnc(NC(=O)c2ccc(N(CC)S(C)(=O)=O)cc2)s1 223835126 ZBDBHMONHRHJMX-UHFFFAOYSA-N 400.551 3.078 0 40 HGAB COC(=O)c1ccc(C)c(S(=O)(=O)NCc2ccc(OC(C)C)c(OC)c2)c1 223864478 QUDQMKJNIYPCAW-UHFFFAOYSA-N 407.488 3.056 0 40 HGAB CCc1ccc(CC)c(CNS(=O)(=O)c2ccc(OC)c(C(=O)NC(C)C)c2)c1 224254180 WAIMYNQTPGXFQI-UHFFFAOYSA-N 418.559 3.437 0 40 HGAB CCCO[C@]1(C(=O)Nc2ccc(OCC(=O)N3CCOCC3)cc2)CCC[C@H](C)C1 225662245 OJGCTXKIOFRHRA-FDDCHVKYSA-N 418.534 3.238 0 40 HGAB S=C(NCc1ccco1)Nc1nc(Sc2ncccn2)cc(N2CCCC2)n1 225911508 STSQBVXOQRLOFT-UHFFFAOYSA-N 413.532 3.098 0 40 HGAB Cc1nc2c(c(N3CCC(NC(=O)c4ccc(Br)o4)CC3)n1)CCCC2 253401369 MSYMJWCBLMTPJJ-UHFFFAOYSA-N 419.323 3.418 0 40 HGAB Cc1noc(C)c1S(=O)(=O)N(CCn1ccc(C(F)(F)F)n1)C1CCCC1 390831320 RFISYBVBDZZTRS-UHFFFAOYSA-N 406.430 3.140 0 40 HGAB CCOC(=O)Nc1cc(S(=O)(=O)NCCc2ccc(OC)cc2)ccc1OCC 408585895 KOEYKPPDOYVQGX-UHFFFAOYSA-N 422.503 3.183 0 40 HGAB CCOc1ccc(C(=O)Nc2ccc(F)cc2F)cc1S(=O)(=O)N1CCCC1 408697487 JSXWDQNSOAOMHK-UHFFFAOYSA-N 410.442 3.400 0 40 HGAB CCOc1ccc(NC(=O)COc2ccc(S(=O)(=O)N[C@@H](C)CC)cc2)cc1 409194506 MNGTYPZKNFLFNG-HNNXBMFYSA-N 406.504 3.180 0 40 HGAB CCCCCNC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(F)cc1 409334105 TZQQPTRQZBVTCC-UHFFFAOYSA-N 408.495 3.336 0 40 HGAB CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCC(C)CC3)C2=O)ccc1OC 409356493 HADAQYPYZDQQQA-LDADJPATSA-N 418.515 3.389 0 40 HGAB O=C(c1cc(S(=O)(=O)N2CCC[C@@H]2Cc2ccccc2Cl)c[nH]1)N1CCCC1 511876593 SFTLDUDIVRKINM-MRXNPFEDSA-N 421.950 3.300 0 40 HGAB CCc1ccc(C2CCN(C(=O)c3ccc(C[C@@H]4CC(=O)NC4=O)cc3)CC2)cc1 1642093986 GMZBFVNUXBPZEW-JOCHJYFZSA-N 404.510 3.474 0 40 HGAB CCOC(=O)c1nc(NCc2cnc(Br)cn2)ccc1Br 1655666661 DYIXCRDNCKVTBR-UHFFFAOYSA-N 416.073 3.185 0 40 HGAB CC[C@@H]1Oc2cc([C@H](C)NC(=O)N3CC(=O)Nc4ccccc4C3)ccc2NC1=O 1678256679 AWLSQMOVJITSRV-UGSOOPFHSA-N 408.458 3.021 0 40 HGAB Cc1nc(C2CCOCC2)cc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)n1 1888864129 UTZZMQCHXQJFGW-UHFFFAOYSA-N 407.440 3.419 0 40 HGAB COc1ccc(CN2C[C@H]3[C@@H](C2)OCCCCc2ccccc2OCC(=O)N3C)cc1 2037985629 QCZKOSZKNWEOAC-LADGPHEKSA-N 424.541 3.138 0 40 HGAB COc1cccc(C(=O)N2CCC[C@]3(CCCN(Cc4csc(C)n4)C3)C2)n1 2056223694 AVVANQWPERPDQO-NRFANRHFSA-N 400.548 3.374 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3C)CC2)cc1C 813993 UESQWPQAUOUMID-UHFFFAOYSA-N 402.516 3.351 0 40 HGAB Cc1cccc2cc([C@@H](c3nnnn3Cc3ccccc3)N3CCCCC3)c(=O)[nH]c12 889369 IBFVCJBDDCWTPU-QFIPXVFZSA-N 414.513 3.447 0 40 HGAB Cc1ncc2c(c1O)[C@@H](c1c(O)n(-c3ccccc3Cl)c(=S)[nH]c1=O)OC2 2146274 DQWWBZGSPQPTDP-HNNXBMFYSA-N 403.847 3.283 0 40 HGAB biogenic COc1ccc(Cl)cc1NC(=O)CSc1nnnn1-c1cc(C)ccc1OC 3437222 LXRCJXJCNJPZFR-UHFFFAOYSA-N 419.894 3.372 0 40 HGAB Cc1cc(C(=O)CN2C(=O)NC3(CCCCCC3)C2=O)c(C)n1C[C@H]1CCCO1 3592738 IHTYTUMUAWTKCW-QGZVFWFLSA-N 401.507 3.111 0 40 HGAB CCOC(=O)c1ccc(CN2C(=O)S[C@H](Nc3cccc(C(=O)O)c3)C2=O)cc1 4271907 RGTMKFONKNOYBC-INIZCTEOSA-N 414.439 3.195 0 40 HGAB CCOC(=O)c1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@H]2c2ccc(O)cc2)cc1 4387607 OZYXPOBFHQLZJT-IBGZPJMESA-N 419.441 3.088 0 40 HGAB CC(C)NS(=O)(=O)c1ccc(OCC(=O)N[C@@H](C)c2ccccc2)c(Cl)c1 4778186 RGBZTHAKSKXYGR-AWEZNQCLSA-N 410.923 3.283 0 40 HGAB O=C(Cn1c(SCC(=O)N2CCCC2)nc2ccccc21)NCc1ccccc1 4859252 IDZYGEOVTXVLIL-UHFFFAOYSA-N 408.527 3.067 0 40 HGAB C[C@H](Oc1ccc(Br)cc1)C(=O)OCc1cc(=O)n2ccsc2n1 5580749 CHRYYXWGQVJEER-JTQLQIEISA-N 409.261 3.029 0 40 HGAB Cc1cc(C)c2nc(SCCCn3c(=O)c4c(ncn4C)n(C)c3=O)cc(C)c2c1 6657682 HTGBVXQLWHIQBC-UHFFFAOYSA-N 423.542 3.090 0 40 HGAB COC(=O)c1cc(OC(=O)c2ccc(OC(F)F)c(OC)c2)cc(C(=O)OC)c1 7000204 NIKVBJBCNQYTLV-UHFFFAOYSA-N 410.325 3.089 0 40 HGAB COc1ccccc1-c1noc(COC(=O)C[C@H]2Sc3ccccc3NC2=O)n1 7047726 MQVVKXAWAXSWOF-MRXNPFEDSA-N 411.439 3.292 0 40 HGAB Cc1cccc(C)c1NC(=O)CNC(=O)CSc1nnc(NCC(C)C)s1 7268396 IDXMJBOWGARFCC-UHFFFAOYSA-N 407.565 3.070 0 40 HGAB Cc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)c(C)n1-c1ccc2c(c1)OCO2 7468845 FESKHYFIZFJRFT-VCHYOVAHSA-N 421.453 3.227 0 40 HGAB CCc1ccccc1OCC(=O)Nc1cccc(S(=O)(=O)NCc2ccco2)c1 7814354 MRHBBLNDRJHKTK-UHFFFAOYSA-N 414.483 3.338 0 40 HGAB COc1ccc(NC(=O)COC(=O)CCCC(=O)Nc2ccc(F)cc2)c(OC)c1 8417149 YNOZJKRFSINRJL-UHFFFAOYSA-N 418.421 3.134 0 40 HGAB COCCCn1c(C)cc(C(=O)CN2C(=O)N[C@]3(CCCc4ccccc43)C2=O)c1C 8428358 MHYXNKNGOKFUEX-DEOSSOPVSA-N 423.513 3.108 0 40 HGAB CCc1ccccc1NC(=O)COC(=O)CCS(=O)(=O)c1ccc(C)c(C)c1 9525836 NFEMRYDAHUETIR-UHFFFAOYSA-N 403.500 3.212 0 40 HGAB CN(C[C@H]1COc2ccccc2O1)C(=O)Cn1c(-c2cscn2)nc2ccccc21 9548405 BTQHZYFOPYOAAT-HNNXBMFYSA-N 420.494 3.458 0 40 HGAB Cc1ccc(C)c(Cn2c(=O)c3c(nc4n(CC(C)C)c(C)c(C)n34)n(C)c2=O)c1 10104012 QIWGUKNIZMGEDH-UHFFFAOYSA-N 407.518 3.087 0 40 HGAB CC[C@H](C)n1c(C)c(C)n2c3c(=O)n(Cc4cccc(Cl)c4)c(=O)n(C)c3nc12 10104252 CJFRWXZBBDDVPL-LBPRGKRZSA-N 413.909 3.439 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)Nn2cnc3ccccc32)cc1 10402483 YLUUZIUHFJMMRP-HNNXBMFYSA-N 415.519 3.081 0 40 HGAB C[C@@H]1C[C@@H](C)CN(CCCNC(=O)c2ccc(I)cc2)C1 10542903 OUVBVXAIUWEIHD-ZIAGYGMSSA-N 400.304 3.389 0 40 HGAB Cc1cc(C)n(-c2ccc(SCC(=O)N3c4ccccc4NC(=O)C[C@@H]3C)nn2)n1 11140834 GUYAFLDTOVBRRN-AWEZNQCLSA-N 422.514 3.135 0 40 HGAB COc1ccc(O[C@H](C)C(=O)Nc2cccc(S(=O)(=O)NC(C)(C)C)c2)cc1 11357483 BIJXHRQMDGKZEW-CQSZACIVSA-N 406.504 3.178 0 40 HGAB Cn1c(=O)c2ccccc2n2c(CNc3ccc(Br)cc3F)nnc12 11725058 QNWQKSUDGDKGHZ-UHFFFAOYSA-N 402.227 3.095 0 40 HGAB Cc1cc(-c2cnc3cc(C)nn3c2[C@H]2CCCN(CC(=O)NC(C)(C)C)C2)on1 12121226 AEHSEUAYDXTWFO-INIZCTEOSA-N 410.522 3.095 0 40 HGAB Cc1ccc2c(c1)C(=O)N(CC(=O)Nc1ccc(F)cc1)CC1(CCN(C)CC1)O2 12142628 BQDZKZRMSITUMT-UHFFFAOYSA-N 411.477 3.072 0 40 HGAB O=C1NC2(CCN(C(=O)CN3CCC(c4ccccc4)CC3)CC2)Oc2ccccc21 12183530 IJXPNGHJYMIKET-UHFFFAOYSA-N 419.525 3.007 0 40 HGAB COc1ccccc1CC(=O)N1CCC(c2nc(O)cc(-c3ccncc3)n2)CC1 12256596 YPPILOPBOKPEDO-UHFFFAOYSA-N 404.470 3.202 0 40 HGAB COc1ccccc1CCC(=O)N1CCC([C@@H](NC(C)=O)c2nccs2)CC1 12365728 LZOHQLUQLJFNFK-HXUWFJFHSA-N 401.532 3.200 0 40 HGAB CN(CCCNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccccc1 12595794 FQCVXYDJHFIVRV-UHFFFAOYSA-N 415.559 3.118 0 40 HGAB COc1ccc(OCCCC(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)cc1 12680799 AFZPCFLXWKJIOB-UHFFFAOYSA-N 406.504 3.052 0 40 HGAB Cc1ccc(OCc2nc(C(=O)Nc3ccc(C)c(S(N)(=O)=O)c3)cs2)cc1 12764000 XWFOVLYGDLZYCE-UHFFFAOYSA-N 417.512 3.239 0 40 HGAB O=C(CN1C(=O)C(=O)N(CCc2cccs2)C1=O)c1cc(Cl)sc1Cl 12796701 DQYYQHYNLGWLEB-UHFFFAOYSA-N 417.295 3.333 0 40 HGAB C[C@@H]1C(=O)N(C[C@@H](O)COc2ccc(Br)cc2)C(=O)N1c1ccccc1 12845994 HZNVWPPGXNKQSD-CZUORRHYSA-N 419.275 3.046 0 40 HGAB Cn1c(CCC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)nc2ccccc2c1=O 12932886 UIPDFCAWCDRGOK-IBGZPJMESA-N 419.481 3.001 0 40 HGAB O=S(=O)(NCc1ccc(CN2CCOCC2)cc1)c1c(Cl)cccc1Cl 12996918 VLRNCOZAJDQMSQ-UHFFFAOYSA-N 415.342 3.304 0 40 HGAB O=C(Cc1ccccc1F)N1CCC(c2cc(C(F)(F)F)n3ncnc3n2)CC1 13266884 HSCGUDKCVKZTBR-UHFFFAOYSA-N 407.371 3.231 0 40 HGAB Cc1cc(N(CC(=O)NC(C(C)C)C(C)C)S(C)(=O)=O)ccc1Br 14155792 HKGSXMOKESYMCH-UHFFFAOYSA-N 419.385 3.320 0 40 HGAB Cc1ccc(OCC(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)c(C)c1 14202328 TWEPJZGVPQZILT-UHFFFAOYSA-N 410.470 3.288 0 40 HGAB COc1ccc(CN(C)C(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 14820022 BGLXKUVWFDYEFA-UHFFFAOYSA-N 416.543 3.063 0 40 HGAB Cc1cc(NC(=O)c2ccccc2S(C)(=O)=O)n(-c2nc3ccccc3s2)n1 16851034 NNCDPVYKWNSGFJ-UHFFFAOYSA-N 412.496 3.446 0 40 HGAB O=C(CN1C(=O)COc2ccc(Cl)cc21)N[C@@H](c1ccncc1)c1cccs1 19343005 BMLXWVPLEGSOMG-FQEVSTJZSA-N 413.886 3.428 0 40 HGAB COc1cccc(-c2noc([C@H]3CN(C(=O)c4ccc5[nH]c(C)nc5c4)CCO3)n2)c1 19576708 ARSWGCOWDQVTHH-LJQANCHMSA-N 419.441 3.144 0 40 HGAB Cc1nc2[nH]c(C)c(CCC(=O)Nc3ccc4nc(C(C)C)sc4c3)c(=O)n2n1 19577121 CEDCBWJSHIZSSP-UHFFFAOYSA-N 410.503 3.339 0 40 HGAB CNC(=O)[C@@]1(Cc2ccccc2-c2ccccc2F)CCN(C(=O)c2cnccn2)C1 19591644 JFVDZZBTHOXOJA-XMMPIXPASA-N 418.472 3.104 0 40 HGAB Cn1c(=O)c(C(=O)N[C@H](CCN2CCCCC2)c2ccccc2)nc2ccccc21 19718902 ALEKTNZOHSUZCB-LJQANCHMSA-N 404.514 3.281 0 40 HGAB O=C([C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1)N1CCc2ccccc21 19861166 LQJBPFXLCQZZMU-SFHVURJKSA-N 418.946 3.471 0 40 HGAB CCc1nn2c(CC(=O)OC)c(C(=O)OC)nnc2c1-c1cccc2ccccc12 20797803 IMTWXSCCDCRYAY-UHFFFAOYSA-N 404.426 3.009 0 40 HGAB O=C1C[C@H](c2nc3ccccc3n2CCN2CCOCC2)CN1Cc1ccc(F)cc1 21172078 GEQFKVJUXDGXQR-IBGZPJMESA-N 422.504 3.024 0 40 HGAB C[C@@H]1CN(C[C@@H]2COc3ccccc3O2)[C@H](C)CN1C[C@@H]1COc2ccccc2O1 22873755 GVENRJUFJRVVJY-UAFMIMERSA-N 410.514 3.061 0 40 HGAB O=C(NC[C@H](c1ccco1)N1CCc2ccccc2C1)C(=O)NC1CCCCCC1 22907343 KVUPNBWEKROUNH-OAQYLSRUSA-N 409.530 3.334 0 40 HGAB COc1ccc(OC)c([C@@H]2CCCN2CN2C(=O)NC3(CCC(C)CC3)C2=O)c1 23673835 XNANNAIYBPPHDO-TUAABQIMSA-N 401.507 3.299 0 40 HGAB CC(=O)N1CCC[C@H](C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)C1 24061131 PEXPSQKPCGPNHD-QHCPKHFHSA-N 405.542 3.179 0 40 HGAB O=C(c1sccc1-c1ccccc1)N1CCN(c2nnnn2-c2ccccc2)CC1 24776859 UUGHYIWNZAZXMF-UHFFFAOYSA-N 416.510 3.353 0 40 HGAB CC(C)COc1ccc(NC(=O)CNS(=O)(=O)c2cccs2)cc1Cl 24863651 CBNQDASTJQXXQS-UHFFFAOYSA-N 402.925 3.353 0 40 HGAB CC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc(C(F)(F)F)c2)cc1 25452315 WDFACYVGBCIEKK-UHFFFAOYSA-N 414.405 3.167 0 40 HGAB CCSc1ccccc1NC(=O)COc1ccc(CN(C)S(C)(=O)=O)cc1 30849207 WSLSUQAZDQVSBG-UHFFFAOYSA-N 408.545 3.208 0 40 HGAB O=C(N[C@H](Cc1ccccc1)C(=O)NC[C@@H]1COc2ccccc2O1)c1cccs1 31038517 VXMBOKOMMBMPCK-QZTJIDSGSA-N 422.506 3.045 0 40 HGAB Cc1cc(C)c(C(=O)CSc2ccc(S(=O)(=O)N3CCOCC3)cn2)c(C)c1 31751763 MJSREWJYZSTGRV-UHFFFAOYSA-N 420.556 3.003 0 40 HGAB Cc1cccc(C(=O)N[C@@H](C)C(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)c1 32716871 UVXYNWXEHHHACO-HNNXBMFYSA-N 424.526 3.198 0 40 HGAB COc1ccc([C@@H](CNC(=O)c2sccc2-n2cccc2)N2CCOCC2)cc1 32903404 PLTOJQZQDOHBGL-HXUWFJFHSA-N 411.527 3.351 0 40 HGAB NC(=O)c1cc(NC(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)ccc1F 33064492 XPHCWQVFFGDNBB-UHFFFAOYSA-N 401.401 3.425 0 40 HGAB Cc1ccc(-n2c(N3CCC[C@H](C(=O)NCC4CC4)C3)nc3ccsc3c2=O)cc1 33302531 NIKYADRXAUZLMC-KRWDZBQOSA-N 422.554 3.498 0 40 HGAB CCc1cccc(C)c1-n1nnnc1[C@@](C)(CC)N1CCN(C(=O)c2ccco2)CC1 35622259 RDFFELPNGOMJDQ-HSZRJFAPSA-N 422.533 3.209 0 40 HGAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)N2CCC(C)CC2)cc1Cl 39986546 ZAXMGROVQALIEM-UHFFFAOYSA-N 402.944 3.008 0 40 HGAB COc1cc(NC(=O)c2ccc(Br)cc2)c(C(=O)N(C)C)cc1OC 40082408 ZXKGZNTUXFFYNQ-UHFFFAOYSA-N 407.264 3.420 0 40 HGAB Cc1ccc(NC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2C)c(Br)c1 57521652 WRJRDWZXJORHED-UHFFFAOYSA-N 421.320 3.372 0 40 HGAB CCn1cnnc1CNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1cccc(Cl)c1 58202358 TZOMLLYEXBVYSP-JLSDUUJJSA-N 415.925 3.041 0 40 HGAB CCS(=O)(=O)N1CCC(NC(=O)NCc2ccccc2Oc2ccccc2)CC1 63322714 JZQQONLIRZTQRP-UHFFFAOYSA-N 417.531 3.092 0 40 HGAB CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2cccnc2)n2nc(CCCO)nc2N1 69530003 FKBQZGVQNWZVGF-LJQANCHMSA-N 424.892 3.179 0 40 HGAB CCOc1ccccc1NC(=O)Cn1nnc(C(=O)Nc2ccc(C)cc2C)c1C 71327286 NITDMCZXIFVRQS-UHFFFAOYSA-N 407.474 3.493 0 40 HGAB O=C(CC1c2ccccc2Oc2ccccc21)NCCn1c(=O)oc2cccnc21 72342225 ILPRDKDGVIMUTP-UHFFFAOYSA-N 401.422 3.434 0 40 HGAB CN(C)C(=O)c1sc2ccccc2c1[C@@H]1CCN(CC(=O)NCc2ccccn2)C1 72352440 QIPQTSRHQAKKKB-MRXNPFEDSA-N 422.554 3.104 0 40 HGAB NC(=O)c1cccc(-c2cnc(N)nc2[C@H]2CCCN2CCc2ccc(F)cc2)c1 72354835 GDWUNZBNZFXNAI-HXUWFJFHSA-N 405.477 3.343 0 40 HGAB CCS(=O)(=O)N1CCC[C@H]1c1nc(C)c2c(n1)N(CCc1ccccc1)CCC2 72373811 ISYFDUMAUGFDCM-FQEVSTJZSA-N 414.575 3.267 0 40 HGAB CC(C)(C)OC(=O)N(CC(=O)NCc1nc2ccccc2s1)C[C@@H]1CCCO1 78876958 FYONFUGRVNOEKZ-AWEZNQCLSA-N 405.520 3.329 0 40 HGAB COCc1nc(C)c(C(=O)Nn2cnc3scc(-c4ccccc4)c3c2=O)s1 89559505 LXWOHVVVGNSGPS-UHFFFAOYSA-N 412.496 3.420 0 40 HGAB COCCOc1cccc(C(=O)N[C@H](C)[C@@H](O)c2ccc(Br)cc2)c1 89598496 MSLQUCMTPWAJFO-FZKQIMNGSA-N 408.292 3.326 0 40 HGAB COC(=O)CNC(=O)[C@H](C)OC(=O)c1sc2cc(C(F)(F)F)ccc2c1Cl 95349981 ZRHVUQJYQHIAKW-ZETCQYMHSA-N 423.796 3.408 0 40 HGAB CC(=O)N1CCN(Cc2cccc(NC(=O)[C@@H]3CCC[C@@H](C(F)(F)F)C3)n2)CC1 95444944 XRONVSUTYADNGH-HZPDHXFCSA-N 412.456 3.053 0 40 HGAB CCC1(O)CCN(C[C@@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)CC1 95452714 BAXCPKDIYGKLCO-OAQYLSRUSA-N 402.560 3.252 0 40 HGAB C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)OCCN1CCCCCC1=O 95957110 XUJHGBAXMBVINA-GFCCVEGCSA-N 401.290 3.058 0 40 HGAB CC(C)(C)OC(=O)N(CC(=O)Oc1ccc(NS(C)(=O)=O)cc1)c1ccccc1 95997394 YUZQEARMTIGKET-UHFFFAOYSA-N 420.487 3.405 0 40 HGAB CC(C)n1c2ccccc2c2c1cc(C(=O)NCCc1cccnc1)n2S(C)(=O)=O 96146376 XAEHEKZZDLJFNH-UHFFFAOYSA-N 424.526 3.352 0 40 HGAB C[C@@H](OC(=O)c1cccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)c1)C(=O)c1ccccc1 100603674 JNXNFMMIWQSBGR-XMWJODTMSA-N 415.445 3.426 0 40 HGAB COc1ccccc1N1CCN(C[C@@H](O)CO[C@@H]2C[C@@H]3CC[C@]2(C)C3(C)C)CC1 101213982 SWFMYEJWXJGCLJ-WGWURMLHSA-N 402.579 3.410 0 40 HGAB O=C1N[C@H](c2ccc3ncccc3c2)[C@@H](C(=O)c2cccs2)[C@@](O)(C(F)(F)F)N1 102136300 HKFUBPZSIICYSI-HDMKZQKVSA-N 421.400 3.400 0 40 HGAB C[C@@H]1CC[C@H]2C(=O)N(c3ccc(C(=O)OCC(=O)Nc4ccccc4)cc3)C(=O)[C@@H]2C1 136289876 RKGULWZIIMNQFI-CDHQVMDDSA-N 420.465 3.408 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCCN(C[C@@H](O)c3ccc(Cl)cc3)CC2)cc1 195567280 ULSJDWWXMREUIY-HXUWFJFHSA-N 408.951 3.078 0 40 HGAB COc1ccc(C(=O)N2CCCC2)cc1NC(=O)N(C)Cc1nccn1C(F)F 195729869 RQUPFYQGQGXLGF-UHFFFAOYSA-N 407.421 3.187 0 40 HGAB O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccccc3)cc2)C1=O)N1CCOCC1 210852810 UGONFCYCKXXEIY-XMHGGMMESA-N 408.479 3.249 0 40 HGAB COc1ccc(OC)c(N([C@@H](C)C(=O)Nc2ccc(Cl)cc2)S(C)(=O)=O)c1 220206998 XCSVPGBQSKUFDQ-LBPRGKRZSA-N 412.895 3.150 0 40 HGAB C[C@H](C(=O)Nc1ccc(Br)cc1)N(c1cccc(F)c1)S(C)(=O)=O 220465457 TWTSLAJQJUECHC-LLVKDONJSA-N 415.284 3.381 0 40 HGAB CNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)COc1ccc(Br)cc1 222619308 OKBOEWGHRMRLTK-ZDUSSCGKSA-N 423.282 3.130 0 40 HGAB Cc1cc(C)c([C@H](C)NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1C 223504988 KJMJJALAFHMAIR-SFHVURJKSA-N 416.543 3.124 0 40 HGAB Cc1ccc(C(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)c(C)c1 224420606 CIVMCECAPSHCHS-UHFFFAOYSA-N 416.543 3.287 0 40 HGAB CC[C@H](NC(=O)[C@@H](C)N(c1ccccc1)S(C)(=O)=O)c1ccc(OC)c(C)c1 225101704 PDNVFUXCTSCRHC-APWZRJJASA-N 404.532 3.426 0 40 HGAB CC1(C)C[C@H](NS(=O)(=O)c2nnc(NC(=O)C(C)(C)C)s2)c2ccccc2O1 225172675 NYBDUEZZONXFEQ-LBPRGKRZSA-N 424.548 3.103 0 40 HGAB O=C(NCCCc1ccc(Cl)cc1)C1CCN(S(=O)(=O)c2ccccc2)CC1 225471155 VSVNLZPRMSENCW-UHFFFAOYSA-N 420.962 3.490 0 40 HGAB COc1cccc(-c2cc(C(=O)N[C@H](c3cccnc3)C3CCOCC3)n(C)n2)c1 225621840 ORTLAPKJHFRDNK-QFIPXVFZSA-N 406.486 3.388 0 40 HGAB Cc1cccc(N(CCCC(=O)NCCCOC2CCCC2)S(C)(=O)=O)c1C 225649427 GNQWKUWWQZCGNE-UHFFFAOYSA-N 410.580 3.315 0 40 HGAB Cc1cc(N2CCCC[C@@H]2C)nc(NC(=S)NCc2ccc3c(c2)OCCO3)n1 226015612 KCAGPKILQVNFKX-HNNXBMFYSA-N 413.547 3.422 0 40 HGAB CCN1CCN(c2ccc(NC(=O)c3ccccc3Br)cc2N)CC1 226263315 MTAPFUZAQADQSE-UHFFFAOYSA-N 403.324 3.426 0 40 HGAB CCc1cc(CNC(=O)[C@@]2(C)CCCN(C(=O)c3ccc4c(c3)ncn4CC)C2)on1 257251250 JPZRQSFLONUGGD-QHCPKHFHSA-N 423.517 3.165 0 40 HGAB Cc1cc(-c2ccc(N)nc2)cc([C@@H]2CN(CC(=O)N(C)C3CCCCC3)CCO2)n1 257324836 WQKDQSAZNGJKNT-QFIPXVFZSA-N 423.561 3.199 0 40 HGAB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NC[C@H]3CCCO3)c(Cl)c2)cc1 260565360 MYVKSQQWYZQLCX-MRXNPFEDSA-N 422.934 3.382 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N(C)c3ccccc3)C2)cc1Cl 260731274 DTHNWXSLKGAKCT-HNNXBMFYSA-N 422.934 3.412 0 40 HGAB S=C1N[C@H](c2ccccn2)[C@H](c2cccn2C[C@@H]2CCCO2)N1C[C@H]1CCCO1 260922716 RHNMNDDUBMMESE-NLEAXPPASA-N 412.559 3.214 0 40 HGAB Cc1cc(C(=O)N2CCC3(CC2)CN(C)Cc2nnc(-c4cccs4)n23)c(C)o1 306125084 CGLBVABDBNPUTE-UHFFFAOYSA-N 411.531 3.293 0 40 HGAB O=C1N(Cc2ccc(F)cc2)CCO[C@]12CN(Cc1ccco1)C[C@@H]2c1cccnc1 306127040 FMEVUBULSOEPEA-VWNXMTODSA-N 421.472 3.211 0 40 HGAB COc1ncccc1CN1CCN(C)[C@H](c2ncn3cc(-c4cccnc4)ccc23)C1 306131435 KECXWYFOULRAJJ-QFIPXVFZSA-N 414.513 3.289 0 40 HGAB CC(C)n1nccc1[C@@H]1CN(Cc2ccc3c(c2)OCO3)C[C@]12CCCN(C)C2=O 306142610 XEIXNGRUGWLIMM-FDDCHVKYSA-N 410.518 3.031 0 40 HGAB COc1cc(C(=O)N2CCC(N3CCc4ccccc4C3)CC2)cc(OC)c1OC 408613161 XSQLNOLRFPGMNU-UHFFFAOYSA-N 410.514 3.375 0 40 HGAB Cn1c(SCC(=O)Nc2ccccc2N2CCOCC2)nnc1-c1ccccc1 409203912 ZWNALIWOHYWSSV-UHFFFAOYSA-N 409.515 3.050 0 40 HGAB Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)ccc1F 504380617 FEBGEJZEJJZHEO-UHFFFAOYSA-N 412.486 3.434 0 40 HGAB CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)n1cnnn1)c1nc2ccccc2[nH]1 524732670 VMAWMOPDKWLDKU-YSSFQJQWSA-N 403.490 3.237 0 40 HGAB O=C(NC1CCCCC1)c1nnc2n1CC[C@@]1(CC2)CCN(C(=O)c2ccccc2)C1 585106630 DAZHJRCWDQAHJB-XMMPIXPASA-N 421.545 3.209 0 40 HGAB O=C(c1cncs1)N1CCC[C@@]2(CCCCc3ccccc3OCCNC2=O)C1 643559853 FKTVOPZQXKHBNX-QFIPXVFZSA-N 413.543 3.287 0 40 HGAB CCCN1CCN(CC(=O)NC)C[C@@H](Cc2ccccc2-c2ccc(C)cc2)C1=O 1848354112 GZHHDGGLAKIHGQ-JOCHJYFZSA-N 407.558 3.121 0 40 HGAB O=C(C[C@]1(COc2ccccc2)CCCN(C(=O)c2ccccc2)C1)N1CCOCC1 2037905504 SQMRPYCEROKEGB-RUZDIDTESA-N 422.525 3.237 0 40 HGAB CC1=C(C(N)=O)[C@H](c2cccc(C)c2)N2NC(SCc3ccccc3F)=NC2=N1 958596 RYQSWINVGXUBAK-SFHVURJKSA-N 409.490 3.414 0 40 HGAB CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@H]2CCCO2)c1 3256447 BGFGOWQPXVVEBD-MRXNPFEDSA-N 422.934 3.464 0 40 HGAB C[C@]1(c2ccccc2Cl)NC(=O)N(CC(=O)NCc2ccccc2Cl)C1=O 3462729 VHGIPJOQPDGRNC-LJQANCHMSA-N 406.269 3.077 0 40 HGAB CCOC(=O)CCCNC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1CC 3498947 AIYGJOTVRWGDBP-UHFFFAOYSA-N 410.927 3.170 0 40 HGAB COc1ccccc1-c1nc(C(N)=O)c2[nH]c(=O)n(-c3ccc(C(C)(C)C)cc3)c2n1 5143488 NLRGAZONUIDIFD-UHFFFAOYSA-N 417.469 3.181 0 40 HGAB Cc1nn2c(-c3ccc(S(=O)(=O)NC4CCCCC4)o3)nnc2c2ccccc12 5245196 YSPKXNCEERMATG-UHFFFAOYSA-N 411.487 3.457 0 40 HGAB CN(Cc1ccco1)S(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1 5373540 LLVXSQXIJKCHDQ-UHFFFAOYSA-N 414.439 3.081 0 40 HGAB COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCc2ccc(F)cc2)c(OC)c1 5783693 VVHNRKYETKZVPA-LJQANCHMSA-N 400.406 3.214 0 40 HGAB Cc1cc(C)c(S(=O)(=O)N(CC(=O)NC[C@H]2CCCO2)C2CCCCC2)c(C)c1 6607148 CZKFLSIVHMIANK-HXUWFJFHSA-N 422.591 3.230 0 40 HGAB COc1ccc(C(=O)OCCCn2c(=O)[nH]c3ccccc32)cc1Br 6607531 NVVHJZDNTXMKEX-UHFFFAOYSA-N 405.248 3.348 0 40 HGAB Cc1c(OCC(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)ccc2c3c(c(=O)oc12)CCC3 6933525 OALWAJUQFFMZPU-GYCJOSAFSA-N 411.498 3.123 0 40 HGAB biogenic O=C(c1ccc(-c2nc3ccccc3s2)o1)N1CCN(C(=O)[C@H]2CCCO2)CC1 7778094 KUBIUBXKPOBWRH-MRXNPFEDSA-N 411.483 3.020 0 40 HGAB CC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3cc(C)cc(C)c3)C2)cc1 8037795 GVMAEVPQIKIXGM-GOSISDBHSA-N 408.454 3.041 0 40 HGAB COc1ccc(OC)c(NC(=O)COC(=O)CCC(=O)Nc2ccc(C)c(C)c2)c1 8414302 AECPJONPNOQSRR-UHFFFAOYSA-N 414.458 3.221 0 40 HGAB COc1ccc(CC(=O)NC[C@H](c2cccnc2)S(=O)(=O)c2ccc(C)cc2)cc1 8718009 SOUBXVXOKHMUCC-JOCHJYFZSA-N 424.522 3.273 0 40 HGAB CCC(=O)N1CCCc2cc(NS(=O)(=O)c3cc(OC)ccc3OC)ccc21 8768699 NDQVNFJNZJOEDT-UHFFFAOYSA-N 404.488 3.194 0 40 HGAB O=C(C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)OCC(=O)N1CCCC1 9199684 JZJKGPFTQGKCCF-IBGZPJMESA-N 414.889 3.367 0 40 HGAB Cc1cccc(OCC(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)c1C 10215204 NACIPFFWSFQRGJ-UHFFFAOYSA-N 410.470 3.288 0 40 HGAB Cc1cc(NC(=O)C2CC2)sc1C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 10309796 VQUFYATVSMYWBG-LBPRGKRZSA-N 406.529 3.300 0 40 HGAB CC(C)OCCCNC(=O)c1ccc(N(Cc2ccc(F)cc2)S(C)(=O)=O)cc1 10358283 YUXXPOKHZWLJCD-UHFFFAOYSA-N 422.522 3.337 0 40 HGAB COC(=O)c1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccco4)[C@@H]3C2=O)cc1 10434436 AIRJRZRRFRLGKT-ZCNNSNEGSA-N 418.405 3.117 0 40 HGAB COc1ccc(OCC(=O)N[C@@H](C)c2nc3cc(-c4ccc(F)cc4)ncn3n2)cc1 12085135 ICLZPSXCFQQHDB-AWEZNQCLSA-N 421.432 3.195 0 40 HGAB COc1cccc(CNC(=O)[C@H]2[C@@H]3[C@H]2CC[C@@]32CC(=O)c3ccccc3O2)c1OC 12330047 YYNWUEYAZSSTND-OEZJKNOUSA-N 407.466 3.380 0 40 HGAB CS(=O)(=O)c1cccc(NC(=O)c2cnn(-c3ccccc3F)c2-n2cccc2)c1 12551825 QGINLVYEVGPSTI-UHFFFAOYSA-N 424.457 3.458 0 40 HGAB O=C(CCCc1nc2ccccc2c(=O)[nH]1)NCc1ccc(OC(F)(F)F)cc1 12783488 VBLUDEAUBHGJEJ-UHFFFAOYSA-N 405.376 3.461 0 40 HGAB CN(CC(=O)Nc1cccc2ccccc12)C(=O)c1cccc(CS(C)(=O)=O)c1 12788351 JVRZKQOVRWJPGQ-UHFFFAOYSA-N 410.495 3.095 0 40 HGAB CCCCCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(C(C)=O)cc2)cc1 12797767 VFDSHUQYHZNHNH-UHFFFAOYSA-N 402.516 3.288 0 40 HGAB NS(=O)(=O)c1ccc(CCNC(=O)c2csc(-c3ccc(Cl)cc3)n2)cc1 12853946 IQHDIZHHVXAZSD-UHFFFAOYSA-N 421.931 3.083 0 40 HGAB O=S(=O)(NCc1ccc(Cn2cccn2)cc1)c1ccc(Br)cc1 12880405 PGVCVYSMDSAYSR-UHFFFAOYSA-N 406.305 3.172 0 40 HGAB CCOc1ccc(S(=O)(=O)NCCC(=O)NCCCSc2ccccc2)cc1 12996783 AMOHRHSXVBWRBX-UHFFFAOYSA-N 422.572 3.052 0 40 HGAB COC(=O)c1ccc2c(=O)[nH]c(CSc3nnc(-c4ccccc4C)n3C)nc2c1 13062683 WOFQPQWNHLFIMO-UHFFFAOYSA-N 421.482 3.106 0 40 HGAB Cc1ccc2c(c1)C(=O)C[C@@H]([C@H]1CCCN(C(=O)CSc3nnc(C)o3)C1)O2 13227489 YFBPZGGSQWDPMV-KSSFIOAISA-N 401.488 3.051 0 40 HGAB CCN(c1ccc(OCC(=O)N2CCCC2)cc1)S(=O)(=O)c1ccc(C)cc1 13585376 FZYZXGDMOAHNEA-UHFFFAOYSA-N 402.516 3.211 0 40 HGAB CC(C)CCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 14215792 KDPADYGUYDRCGC-AWEZNQCLSA-N 417.369 3.012 0 40 HGAB CCOC(=O)c1ccc(NC(=O)C[C@@H]2Sc3nc(-c4ccccc4)nn3C2=O)cc1 15057255 FOWAEPCCGIBGMM-INIZCTEOSA-N 422.466 3.265 0 40 HGAB CCc1nnc(SCc2ccccc2)n1NC(=S)NC(=O)Cc1ccccc1 17088992 BWDIOTWWKXMWEP-UHFFFAOYSA-N 411.556 3.320 0 40 HGAB COc1cccc([C@H](NS(=O)(=O)c2cc(C)c(C)cc2OC)c2nccn2C)c1 19566988 FRUIDQYJOXSQMF-FQEVSTJZSA-N 415.515 3.122 0 40 HGAB CCN1CCN(Cc2nccn2CC)C[C@@H](Cc2ccccc2-c2ccncc2)C1=O 19578127 DFFPODKHKALWOY-JOCHJYFZSA-N 417.557 3.488 0 40 HGAB CCC(=O)N1CCC[C@@H](c2nc(C)c3c(n2)N(CCCc2ccccc2)C(=O)C3)C1 19744412 HSBFTSVYUFFYFA-LJQANCHMSA-N 406.530 3.423 0 40 HGAB COc1cccc(CNc2cc(CC3CCN(C(=O)[C@H]4CCCO4)CC3)nc(C)n2)c1 19758459 NRXFNAIJXRIXEJ-JOCHJYFZSA-N 424.545 3.366 0 40 HGAB COc1cc(CNC[C@H](O)c2ccccc2)ccc1Oc1nnnn1-c1ccccc1 19943204 IBGJOOCWKHEGMH-FQEVSTJZSA-N 417.469 3.286 0 40 HGAB O=C(Nc1cccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)c1)c1ccco1 22411605 WGTDSRFQEWKXCQ-UHFFFAOYSA-N 414.439 3.494 0 40 HGAB COCc1nc2ccccc2c(C)c1C(=O)OCc1cc(=O)n2cccc(C)c2n1 22418028 PIEBCVOOOYTQML-UHFFFAOYSA-N 403.438 3.363 0 40 HGAB Cc1cc(F)ccc1S(=O)(=O)Nc1ccccc1C(=O)N1C[C@H](C)O[C@H](C)C1 23078172 XWJPGLXJSJZMGO-GASCZTMLSA-N 406.479 3.184 0 40 HGAB O=S(=O)(NCC1(N2CCOCC2)CCCCC1)c1c(Cl)cccc1Cl 23863746 FIOWKHYAEGNNOF-UHFFFAOYSA-N 407.363 3.307 0 40 HGAB O=C(CCc1nc2sc3c(c2c(=O)[nH]1)CCC3)NCc1ccccc1OC(F)F 24750290 HXYCKHAIRJBGKK-UHFFFAOYSA-N 419.453 3.324 0 40 HGAB CSc1ccc(N2C[C@@H](C(=O)NCc3ccccc3Cn3cccn3)CC2=O)cc1 26647236 YLRUAJMGPRPKCQ-IBGZPJMESA-N 420.538 3.323 0 40 HGAB Cc1ccc(-c2nnc(SCC(=O)Nc3ccc4c(c3)OCCO4)nc2O)cc1 27526192 MHIDKNCLXYWIGS-UHFFFAOYSA-N 410.455 3.055 0 40 HGAB COC(=O)C1(NS(=O)(=O)c2ccc(C)cc2Br)CCCCCC1 27972894 VZAYDAHHQHNPJU-UHFFFAOYSA-N 404.326 3.302 0 40 HGAB NC(=O)COc1ccc(CNC[C@@H](c2c(F)cccc2Cl)N2CCCC2)cc1 30910961 QICKLAXIRBSVBN-IBGZPJMESA-N 405.901 3.270 0 40 HGAB Cc1ccc(NC(=O)CSc2nnc(-c3ccc4c(c3)OCO4)n2C)c(F)c1 32579539 MNMCRSZNAHUXJV-UHFFFAOYSA-N 400.435 3.389 0 40 HGAB CS(=O)(=O)Nc1ccc(C(=O)NCc2cccnc2Oc2cccc(F)c2)cc1 32685342 AGXZCPKHCFCGDH-UHFFFAOYSA-N 415.446 3.315 0 40 HGAB COC(=O)c1cccc(S(=O)(=O)Nc2cccnc2Oc2ccc(OC)cc2)c1 32915851 NKGDYADGFKQFKH-UHFFFAOYSA-N 414.439 3.470 0 40 HGAB C[C@]1(c2ccc(Cl)cc2Cl)NC(=O)N(CC(=O)c2ccc3c(c2)OCO3)C1=O 36772811 FBTLPQOXARYDMQ-LJQANCHMSA-N 421.236 3.372 0 40 HGAB O=C([C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)N1CCC[C@H]2CCCC[C@@H]21 37462354 MBQCILFPTVGATF-HLIPFELVSA-N 408.539 3.408 0 40 HGAB Cc1oc(C(=O)NCCC2=CCCCC2)cc1S(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 38489342 TVAQNVKSSGHIIU-GJZGRUSLSA-N 410.536 3.006 0 40 HGAB CCOC(=O)N1CCN(CCC(=O)Nc2ccccc2C(=O)c2ccccc2)CC1 40024982 UYKXZVGKGPOZHI-UHFFFAOYSA-N 409.486 3.020 0 40 HGAB CCN(CC)[C@H](CNC(=O)[C@H]1CCCN(C(=O)c2ccoc2)C1)c1ccsc1 40089482 CMCOUZWKSZPNGS-QFBILLFUSA-N 403.548 3.393 0 40 HGAB C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)Nc2cccc(C(F)(F)F)c2)CC1 40096060 TUEVVKYGHKCQLZ-OAHLLOKOSA-N 412.456 3.256 0 40 HGAB Cc1cccc(C)c1OCCNC(=O)C1CCN(C(=O)COc2ccccc2)CC1 40113770 QTOVZPMNMPJAMY-UHFFFAOYSA-N 410.514 3.116 0 40 HGAB O=C(c1cccc(Cl)c1Cl)N1CCN(C(=O)c2n[nH]c3ccccc23)CC1 40122396 LAJJWLRCZXCEAC-UHFFFAOYSA-N 403.269 3.468 0 40 HGAB COC(=O)c1cccc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)n1 40142890 BDCWVCZUIKEQNR-UHFFFAOYSA-N 415.493 3.416 0 40 HGAB CN1C(=O)c2ccccc2[C@@H](C(=O)Nc2nccs2)[C@H]1c1ccc2c(c1)OCO2 40284055 AKDPOMNPYIUITJ-QZTJIDSGSA-N 407.451 3.421 0 40 HGAB Cc1ncc(CN(C)[C@@H](C)C(=O)Nc2ccccc2C(=O)NCc2ccco2)s1 48313388 DHCSLJKVFTZLHA-AWEZNQCLSA-N 412.515 3.434 0 40 HGAB Cc1ccc(NC(=O)CN2CN(c3ccccc3)c3ncccc3S2(=O)=O)cc1 49411375 XLVCXYSWWAHQJO-UHFFFAOYSA-N 408.483 3.129 0 40 HGAB CC(=O)Nc1ccc2c(COC(=O)[C@@H]3Cc4cc(Cl)ccc4O3)cc(=O)oc2c1 52476094 WSRSNDAPVROGQD-IBGZPJMESA-N 413.813 3.452 0 40 HGAB CCN(C(=O)Cn1c(=O)n(-c2ccccc2)c(=O)c2sccc21)c1ccccc1 57428735 IJDPDUSROVXPFC-UHFFFAOYSA-N 405.479 3.267 0 40 HGAB COc1ccc(C)cc1NC(=O)Cn1c(=O)n(-c2ccccc2)c(=O)c2sccc21 57428904 IGZRFEBMQJPMMY-UHFFFAOYSA-N 421.478 3.170 0 40 HGAB CCOC(=O)c1cnn(-c2cccc(NC(=O)N3CCC[C@H]3CCCO)c2)c1C 58231848 KFCNKSHCYFNVMD-KRWDZBQOSA-N 400.479 3.126 0 40 HGAB Cc1ccc(S(=O)(=O)C2(C(=O)N[C@H](C)c3ccc4c(c3)OCO4)CCC2)cc1 58429792 NJPAKMCLURKIIC-OAHLLOKOSA-N 401.484 3.298 0 40 HGAB Cc1ccc(-n2c(SCC(=O)NCc3ccco3)nc3cc(C)[nH]c3c2=O)cc1 67236950 QNRQLWFFFLZRMH-UHFFFAOYSA-N 408.483 3.332 0 40 HGAB CC(C)NC(=O)N1CCCCC[C@@H]1C1CCN(Cc2ccc(C(N)=O)cc2)CC1 69815841 PBSPASNKZASZGX-OAQYLSRUSA-N 400.567 3.360 0 40 HGAB Cc1cccc(CNS(=O)(=O)c2ccc3c(c2)[C@@H](NC(=O)c2ccccc2)CC3)n1 72345822 PETPRDNHYAMUPV-QFIPXVFZSA-N 421.522 3.286 0 40 HGAB Cc1cc(Nc2ncccc2C)cc([C@H]2CCCN(CCC(=O)N3CCOCC3)C2)n1 72374864 XVGBFDDQVYPTIF-FQEVSTJZSA-N 423.561 3.265 0 40 HGAB COc1cccc(CN2CCC[C@H](c3cc(=O)[nH]c(-c4cccnc4)n3)C2)c1OC 72393094 MJZRCDCUBDXNLH-KRWDZBQOSA-N 406.486 3.229 0 40 HGAB Cc1cc(C)n(CC2CCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)n1 77099453 MDSHBDLSDCVSRA-UHFFFAOYSA-N 417.453 3.499 0 40 HGAB CCCCn1c(=O)[nH]c(=O)c2c1nc(CN1C[C@H]3CCCC[C@@]31c1ccccc1)n2C 79103725 KSGBSVWXXJAPHS-HOYKHHGWSA-N 421.545 3.125 0 40 HGAB CN(C)CCSCC(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 83851138 KJAPETZJLBSHBF-UHFFFAOYSA-N 412.603 3.242 0 40 HGAB CC(=O)N1CCC(CN[C@H](Cc2ccccc2)[C@H](C)NC(=O)OC(C)(C)C)CC1 95432503 SUWVARXENIZMGT-LAUBAEHRSA-N 403.567 3.359 0 40 HGAB Cc1noc(C)c1CN1CCC2(CC1)C[C@H](CC(=O)NCCN(C)C)c1ccccc12 96052871 IDZIBMRZIDVARC-FQEVSTJZSA-N 424.589 3.380 0 40 HGAB CC(=O)N1CCc2ccccc2[C@H]1c1c(O)[nH]c(=S)n(-c2ccccc2C)c1=O 100925365 GCBKXCUUYWWXEB-IBGZPJMESA-N 407.495 3.403 0 40 HGAB COc1ccc(CN(C)C(=O)C23C[C@H]4C[C@@H](CC(NC(C)=O)(C4)C2)C3)c(OC)c1 104872924 ZQCCCWRVGFYXAV-TWVWUCKLSA-N 400.519 3.137 0 40 HGAB CC(C)Oc1ccc(CNC(=O)[C@@H](C)N(c2cccc(F)c2)S(C)(=O)=O)cc1 113967031 FUTKVJNPWBPSFD-OAHLLOKOSA-N 408.495 3.084 0 40 HGAB CC[C@H](C(=O)N[C@@H](C)c1ccccc1OC)N(c1ccc(OC)cc1)S(C)(=O)=O 223545382 VVILPBZXFUTLHC-HNAYVOBHSA-N 420.531 3.126 0 40 HGAB COc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)cc1 223627239 GBVOTLWDMFGRGC-LEWJYISDSA-N 408.527 3.236 0 40 HGAB CC[C@H](C(=O)NCCOc1ccc(Cl)cc1)N(c1ccc(C)cc1)S(C)(=O)=O 224303413 IIZOEHPSZHHJCF-LJQANCHMSA-N 424.950 3.388 0 40 HGAB CCC(CC)NC(=O)c1ccc(CN(C)S(=O)(=O)c2ccc(OC)cc2)cc1 224441439 RVVFQCVXHJXEDX-UHFFFAOYSA-N 404.532 3.434 0 40 HGAB O=C(Nc1ccc(N2CCCC2)cc1)c1ccc(CS(=O)(=O)N2CCCC2)cc1 224928597 APHBFVUPLKELLH-UHFFFAOYSA-N 413.543 3.465 0 40 HGAB O=C(NCc1ccco1)c1cc(C2CCN(C(=O)c3cc4ccccn4c3)CC2)n[nH]1 225560890 OHGOZCOUYDYFIS-UHFFFAOYSA-N 417.469 3.205 0 40 HGAB COCCNC(=S)Nc1nc(N2CCC[C@@H](C)C2)cc(N2CCCC[C@@H]2C)n1 225898374 BECRUTLAZCUWHT-CVEARBPZSA-N 406.600 3.025 0 40 HGAB CC(=O)c1ccc(N2CCN(C(=O)c3ccc(OCC4CCOCC4)nc3)CC2)cc1 252499242 RXRQVTMKOPRKCT-UHFFFAOYSA-N 423.513 3.052 0 40 HGAB CC(=O)N1CCC(C(=O)N2CCC[C@@](C)(c3ncc(Cc4ccccc4)o3)C2)CC1 257208156 BKZBNOUPKIGCOL-XMMPIXPASA-N 409.530 3.404 0 40 HGAB Cc1cccc(C)c1OCC(=O)N1CCC[C@@H]1c1cncc(Nc2cnccn2)n1 257222732 DULTUDXLHALVMO-GOSISDBHSA-N 404.474 3.370 0 40 HGAB Cn1cc(-c2ccc3c(c2)[C@@H]2CN(Cc4ccccc4Cl)C[C@@H]2S3(=O)=O)cn1 306131742 KOMYDWULVMSYKN-RXVVDRJESA-N 413.930 3.496 0 40 HGAB COc1ccc(OC)c(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccccc3C)C2)c1 408552718 NDLCVQXCINVNFQ-INIZCTEOSA-N 418.515 3.052 0 40 HGAB COc1cccc(C(=O)COC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3C)C2)c1 408653382 PREUCQIAKUQMPR-OAHLLOKOSA-N 401.846 3.436 0 40 HGAB COc1ccccc1CNC(=O)CCCN1c2cccc3cccc(c23)S1(=O)=O 408702287 ARBSCMYXLGGIFD-UHFFFAOYSA-N 410.495 3.454 0 40 HGAB CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cccn2-c2ccc(C(=O)O)cc2)C1=O 409009192 BXQFGQHTWWCZCL-JASJWYONSA-N 414.439 3.163 0 40 HGAB CCCCCCC1=NN(C(=O)C(=O)Nc2ccccc2OC)[C@](O)(C(F)(F)F)C1 409358154 KGWFWOVOMXEXEC-GOSISDBHSA-N 415.412 3.443 0 40 HGAB O=C1c2ccccc2C(=O)N1[C@@H]1CCCC[C@H](NCc2nnc3n2CCCCC3)C1 533549923 KOGSQAMXAGJWMJ-DLBZAZTESA-N 407.518 3.092 0 40 HGAB O=C(Nc1ccc(C(F)(F)F)cc1)c1c2c(nn1[C@@H]1CCS(=O)(=O)C1)CCC2 585188793 SAIDEHYHEIMJLN-CYBMUJFWSA-N 413.421 3.003 0 40 HGAB CCN1CCN(C(=O)Cc2ccc(NC(=O)CNc3cccc(Cl)c3)cc2)CC1 674323339 FTBQIIHPDOXMKL-UHFFFAOYSA-N 414.937 3.097 0 40 HGAB COC(=O)[C@H](CNC(=O)[C@H]1c2c[nH]nc2CC[C@H]1C)Cc1cccc2ccccc12 1585814292 QDLLERISIIBGGQ-FXCLAUTBSA-N 405.498 3.377 0 40 HGAB COC(=O)C1=C(C)N=c2s/c(=C\c3cccc(Cl)c3)c(=O)n2[C@@H]1c1ccccc1 634247 FDLQKBKMVAFPKY-LYPXWFNGSA-N 424.909 3.062 0 40 HGAB CCOC(=O)C1=NN(c2ccccc2)C2=NC(C)=C(C(=O)OC)[C@@H](c3cccs3)N12 642636 OBVFFEHDPXCOHW-QGZVFWFLSA-N 424.482 3.305 0 40 HGAB O=C(COC(=O)c1ccc2c(c1)C(=O)N(c1ccc(O)cc1)C2=O)c1ccccc1 991343 MQCGTHKTQMEKBP-UHFFFAOYSA-N 401.374 3.233 0 40 HGAB COCCOC(=O)c1c(N)n(Cc2ccc(OC)cc2)c2nc3ccccc3nc12 2331081 VPBWREXTZADAPG-UHFFFAOYSA-N 406.442 3.027 0 40 HGAB COc1ccc(NC(=O)CSc2nnc(-c3cccc(Cl)c3)n2N)c(OC)c1 2398492 NEGRJQUHJBDPQJ-UHFFFAOYSA-N 419.894 3.060 0 40 HGAB COc1ccc2cc([C@]3(C)NC(=O)N(CC(=O)c4cc(C)n(C)c4C)C3=O)ccc2c1 2628130 ZONSVNUDUIEMLI-DEOSSOPVSA-N 419.481 3.454 0 40 HGAB COc1ccc(CNC(=O)COC(=O)c2cc3c(s2)CC[C@@H](C)C3)cc1OC 3382267 QSNKEKWVOXYWMN-CYBMUJFWSA-N 403.500 3.363 0 40 HGAB Cc1cccc(NC(=O)CSc2nc3cc(S(=O)(=O)N(C)C)ccc3o2)c1 3441128 DKKZPBFOQWUHIH-UHFFFAOYSA-N 405.501 3.117 0 40 HGAB CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 3532900 AYRJCVVJVDMJDY-UHFFFAOYSA-N 422.934 3.031 0 40 HGAB O=C1CCC[C@@H]1Sc1nnc(-c2cccc(S(=O)(=O)N3CCCCC3)c2)o1 3561259 SFLYXMOXVYVSSE-INIZCTEOSA-N 407.517 3.125 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(C(=O)Oc2ccc3c(C)cc(=O)oc3c2)cc1 3566541 WSACRBAFDUKBKZ-UHFFFAOYSA-N 415.467 3.351 0 40 HGAB CCOc1ccc(Br)cc1C(=O)Nc1cc(C(=O)O)cc(C(=O)O)c1 4649256 JEMWWDLDUHVODV-UHFFFAOYSA-N 408.204 3.497 0 40 HGAB O=C(NCCc1csc2nc(-c3ccccc3F)nn12)c1ccc2c(c1)OCO2 5166768 NLFAHVDEQJRKDT-UHFFFAOYSA-N 410.430 3.298 0 40 HGAB COc1ccc(-c2nnc(SCC(=O)Nc3cc(C)cc(C)c3)n2N)cc1OC 5257275 NLERDVUZNFYXHJ-UHFFFAOYSA-N 413.503 3.024 0 40 HGAB CCOc1ccc(N/C(CC)=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc1 5625223 ZKWZINYEJOTRBL-VHEBQXMUSA-N 409.442 3.453 0 40 HGAB COc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(OC)c(C)c3)CC2)cc1 6281286 FTNMYVJFUJCCQH-UHFFFAOYSA-N 418.515 3.052 0 40 HGAB C[C@@H](Sc1nnc(-c2ccccc2F)n1N)C(=O)N[C@H]1CCCc2ccccc21 6532874 AEVQCAXCHUGASK-ACJLOTCBSA-N 411.506 3.472 0 40 HGAB CCN(CC)CCNC(=O)c1ccc(NC(=O)c2ccc(-n3cccn3)cc2)cc1 6647185 MKERVCMURMFXTI-UHFFFAOYSA-N 405.502 3.196 0 40 HGAB CCOc1ccc(S(=O)(=O)N(CC(=O)NC(C)(C)C)c2ccc(F)cc2)cc1 6656882 IGQUGJJVDHMVBO-UHFFFAOYSA-N 408.495 3.334 0 40 HGAB CCc1ccc(O[C@H](C)C(=O)N(Cc2ccc(C)o2)[C@H]2CCS(=O)(=O)C2)cc1 6810373 VNZMDSVRMPKKCU-AEFFLSMTSA-N 405.516 3.134 0 40 HGAB COc1ccc(S(=O)(=O)N(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3)c2ccccc2)cc1 6844484 ZEGLBFZVFOUWJP-CSODHUTKSA-N 414.527 3.195 0 40 HGAB Cc1ccc(-c2nnn(CC(=O)Nc3cc(-c4ccc(Cl)cc4)nn3C)n2)cc1 7061090 VEIXCHXZHHHODV-UHFFFAOYSA-N 407.865 3.341 0 40 HGAB Cc1cc(S(=O)(=O)Nc2ccccc2)ccc1OCC(=O)NCCCOC(C)C 7361794 NJADNANDJONJQY-UHFFFAOYSA-N 420.531 3.106 0 40 HGAB O=C(Cc1cccc(C(F)(F)F)c1)N(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 7671425 CNPQSDKCXSGYLH-GOSISDBHSA-N 411.445 3.464 0 40 HGAB O=C([C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)N1CC=C(c2ccccc2)CC1 8038625 NAOYGSKUZVMFEV-IBGZPJMESA-N 404.466 3.127 0 40 HGAB CN(C)S(=O)(=O)c1cccc(NC(=O)Cc2csc(-c3ccsc3)n2)c1 8122585 YFQHWFITKZHDRH-UHFFFAOYSA-N 407.542 3.303 0 40 HGAB COc1ccc(C)cc1[C@H](C)NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 8128345 IDASJGFGMJAKJH-INIZCTEOSA-N 402.516 3.279 0 40 HGAB Cc1ccccc1-n1cnnc1SCC(=O)N1c2ccccc2NC(=O)C[C@@H]1C 8133031 SIZKDISPRKFBJQ-HNNXBMFYSA-N 407.499 3.432 0 40 HGAB CCc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccccc3)c(=O)n2C)cc1 8654319 VGCYKVVKZOAYFX-UHFFFAOYSA-N 415.497 3.049 0 40 HGAB CCCCC[C@@H](C)NC(=O)CC[C@@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O 8765065 UBOSVDIGJWJMDB-UZLBHIALSA-N 412.534 3.496 0 40 HGAB biogenic COc1cccc(N2C(SCc3cccc(F)c3)=N[C@H]3CS(=O)(=O)C[C@@H]32)c1 9306490 QRAJPJPSEZEJDJ-ROUUACIJSA-N 406.504 3.109 0 40 HGAB COc1ccc(OC)c(-n2nnc(-c3nsc(NC(=O)c4ccccc4)n3)c2C)c1 9638152 GBCLOLZEWPPAPJ-UHFFFAOYSA-N 422.470 3.364 0 40 HGAB CCNC(=O)NC(=O)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 9809025 YUEXEJXVNYTXQT-UHFFFAOYSA-N 406.523 3.309 0 40 HGAB COC(=O)c1ccccc1NC(=O)CN(c1ccc(C(C)(C)C)cc1)S(C)(=O)=O 10363906 GFGCAPHARWQZHE-UHFFFAOYSA-N 418.515 3.175 0 40 HGAB CC1=C(C(=O)Nc2cc(C)on2)[C@@H](c2ccc(OC(F)F)cc2)NC(=S)N1C 11204542 XYLJIXDLMLSTHZ-OAHLLOKOSA-N 408.430 3.358 0 40 HGAB COc1cccc(NC(=O)COC(=O)c2nn(-c3ccc(F)cc3)c3c2CCC3)c1 11547102 DQNBUAQGHLNEES-UHFFFAOYSA-N 409.417 3.304 0 40 HGAB CCOc1cc(S(=O)(=O)Nc2ccc(C(=O)O)cc2)ccc1Br 11613979 ZHZREOCHGPIVNB-UHFFFAOYSA-N 400.250 3.347 0 40 HGAB COc1ccc(C2(NC(=O)Cc3nn(C)c(=O)c4ccccc34)CCCCC2)cc1 12155705 SUCMWBIDQPOMOC-UHFFFAOYSA-N 405.498 3.460 0 40 HGAB COc1ccccc1CC(=O)N1CCC(c2nc3ccccc3cc2C(N)=O)CC1 12254451 LWRXENBELDFWQZ-UHFFFAOYSA-N 403.482 3.291 0 40 HGAB CC(=O)Nc1ccc([C@@H](O)CN2CCC3(CC2)C[C@H](O)c2cc(C)ccc2O3)cc1 12293414 BLNYQDPZICOFAH-VXKWHMMOSA-N 410.514 3.338 0 40 HGAB C[C@H]1Oc2ccccc2N(CCC(=O)NCCCCOc2ccc(F)cc2)C1=O 12392971 GDDVVLUIUASYKZ-MRXNPFEDSA-N 400.450 3.305 0 40 HGAB Cc1nc(-c2cccs2)sc1C(=O)NCc1ccccc1S(=O)(=O)N(C)C 12757084 FQTUJQYYUATCEY-UHFFFAOYSA-N 421.569 3.360 0 40 HGAB C[C@H](Oc1ccc(F)cc1)C(=O)Nc1c(C(=O)N2CCOCC2)oc2ccccc12 12780463 HCWBMQWDGNKJBA-AWEZNQCLSA-N 412.417 3.450 0 40 HGAB CCc1c(C(=O)NCc2ccc(Cn3cncn3)cc2)cnn1-c1ccc(C)cc1 12949571 CJJOINMYLSGKBJ-UHFFFAOYSA-N 400.486 3.313 0 40 HGAB O=S(=O)(NCc1ccc(CN2CCOCC2)cc1)c1ccc(Cl)c(Cl)c1 12993018 GUOYNZUNKPULIU-UHFFFAOYSA-N 415.342 3.304 0 40 HGAB COc1ccc(OCCN2C(=O)N[C@](C)(c3cccc(Br)c3)C2=O)cc1 13141171 QQVFVHYPRDIIKK-LJQANCHMSA-N 419.275 3.304 0 40 HGAB CN(Cc1ccc(F)cc1)CN1C(=O)N[C@@](C)(c2ccc(Br)cc2)C1=O 14197171 MYCBGBOBBQGQQY-IBGZPJMESA-N 420.282 3.445 0 40 HGAB CSCC[C@H](C(=O)Nc1cccc(C(C)=O)c1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 14240221 YJUNABWBIVRHDU-FGTMMUONSA-N 402.516 3.125 0 40 HGAB C[C@H](Sc1nc2ccccc2c(=O)n1CCCO)C(=O)N1CCCc2ccccc21 14241698 NGWHISBMAYQGDB-INIZCTEOSA-N 423.538 3.239 0 40 HGAB CCc1sc(C(=O)Nc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)cc1C 14892906 NHLGDHZFSMJWGA-UHFFFAOYSA-N 412.508 3.031 0 40 HGAB CC1CCN(C(=O)C2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)CC1 15706454 VAHYFFUZTIOMEV-UHFFFAOYSA-N 418.481 3.365 0 40 HGAB COc1ccc(NC2=NC(=O)/C(=C\c3cc(OC)c(O)c([N+](=O)[O-])c3)S2)cc1 16440308 HQUTYINIOJJZEW-OQLLNIDSSA-N 401.400 3.400 0 40 HGAB CN(Cc1ccsc1)C(=O)CN1C(=O)N[C@](C)(c2ccc(C(C)(C)C)cc2)C1=O 18350815 CALHWSCUIMRABO-JOCHJYFZSA-N 413.543 3.471 0 40 HGAB O=C(CN1CCN(C(=O)c2ccccc2Cl)CC1)Nc1ccc(F)c(F)c1F 18933409 QPHPIHDNZQZLKF-UHFFFAOYSA-N 411.811 3.154 0 40 HGAB Cc1nc2ccccc2c(=O)n1CCC(=O)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 19286603 ABMOHDAVDRJCSH-KRWDZBQOSA-N 415.497 3.378 0 40 HGAB COc1ccc2c(C)c(C(=O)N3CCc4cc(S(=O)(=O)N(C)C)ccc43)oc2c1 19565749 RNKSVMGYSHYYAJ-UHFFFAOYSA-N 414.483 3.203 0 40 HGAB COc1ccc(CN2CCC(O)(Cn3cnc4ccccc4c3=O)CC2)c(C)c1C 19577300 UUMVBCQVFHBPRL-UHFFFAOYSA-N 407.514 3.049 0 40 HGAB Cc1ccc2c(c1)cc(C(=O)N1CCc3nc(N4CCC[C@H](C)C4)[nH]c(=O)c3C1)n2C 19655342 LJIPQYFWJGQHNQ-INIZCTEOSA-N 419.529 3.005 0 40 HGAB O=C(CCn1c(=O)oc2ccccc21)N1CCC[C@H]1c1ccc(-c2cncnc2)cn1 19689882 UPHVFGDKRWQJQJ-IBGZPJMESA-N 415.453 3.200 0 40 HGAB CCOc1ccc([C@H]2c3c(-c4cc(C)ccc4O)n[nH]c3C(=O)N2CCCO)cc1 21148586 WZTRWWMOBWFKMT-QFIPXVFZSA-N 407.470 3.417 0 40 HGAB CC[C@@H](NC(=O)CN(c1cccc(C)c1)S(C)(=O)=O)c1ccc(OC)c(OC)c1 22327671 YMXXASMVOAOJJU-GOSISDBHSA-N 420.531 3.046 0 40 HGAB CCOc1ccccc1N(CC(=O)NCCCc1ccccc1Cl)S(C)(=O)=O 22332839 PLQVHYFWNUKUJJ-UHFFFAOYSA-N 424.950 3.254 0 40 HGAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CN(c1ccc(F)cc1)S(C)(=O)=O 22335717 BITNTKUWWMPFNO-GOSISDBHSA-N 420.506 3.319 0 40 HGAB Cc1cc(C)c([C@H](C)NC(=O)CN(CCc2ccccc2)S(C)(=O)=O)cc1C 22536058 DMLICIQERGTHJC-IBGZPJMESA-N 402.560 3.293 0 40 HGAB CCN(Cc1ccc(OC)c(OC)c1)C(=O)[C@H]1CC(=O)N(c2cccc(OC)c2)C1 23026032 LXGMKEIBEXRERG-KRWDZBQOSA-N 412.486 3.114 0 40 HGAB CCOc1ccc(NC(=O)c2cc(-c3cccs3)on2)cc1S(=O)(=O)N(C)C 23322548 QTUOKORNTHTCHG-UHFFFAOYSA-N 421.500 3.304 0 40 HGAB Cc1ccc(-c2nnn(-c3nc(CN4CCOCC4)nc4sc(C)c(C)c34)n2)cc1 23983667 XWUYWDFYILCABU-UHFFFAOYSA-N 421.530 3.091 0 40 HGAB O=C(c1cccs1)N1CCC(C(=O)N2CCC(c3nnc4ccccn34)CC2)CC1 24328816 RFXILXXCVVNQPW-UHFFFAOYSA-N 423.542 3.049 0 40 HGAB Cc1nn(CC(C)C)c(C)c1CCC(=O)Nc1ccc(N2CCCS2(=O)=O)cc1 24836272 JCNYKTSVJGUYGF-UHFFFAOYSA-N 418.563 3.267 0 40 HGAB CC(C)(C)c1cc(NC(=O)Cc2ccc(Cl)cc2)n([C@H]2CCS(=O)(=O)C2)n1 24864061 LYSVGLRKJYUTQR-HNNXBMFYSA-N 409.939 3.375 0 40 HGAB O=C(NCC(F)(F)F)c1ccccc1NC(=O)[C@H]1CCCN(C(=O)c2ccco2)C1 27407350 AGKGRINRHNWMGW-ZDUSSCGKSA-N 423.391 3.063 0 40 HGAB COc1ccc(N[C@H](C)c2nnc(-c3ccccc3)o2)cc1S(=O)(=O)N(C)C 32814616 XKSFCBPAAMJVRK-CYBMUJFWSA-N 402.476 3.169 0 40 HGAB CC(C)NC(=O)Nc1ccccc1C(=O)NCc1ccc(C(=O)N2CCCC2)cc1 32901556 FUHMDUMWVCFAQA-UHFFFAOYSA-N 408.502 3.383 0 40 HGAB COc1cc(OC)nc(O[C@@H](C(=O)O)[C@](C)(Oc2ccccc2)c2ccccc2)n1 34526368 ZEIQFLAUJKHOLJ-SIKLNZKXSA-N 410.426 3.320 0 40 HGAB in-vitro COc1ccc(CN(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)N2CCOCC2)cc1 35291625 DTXRWLQFDHTDAN-UHFFFAOYSA-N 421.497 3.300 0 40 HGAB COc1cccc(-c2noc3nc(C)cc(C(=O)NCCn4nc(C)cc4C)c23)c1 36619231 ASKRZXHAYGVLTR-UHFFFAOYSA-N 405.458 3.450 0 40 HGAB O=C([C@@H]1CN(Cc2cc(F)cc3cccnc23)c2ccccc2O1)N1CCOCC1 40086046 XZSYARDTFQMEKD-NRFANRHFSA-N 407.445 3.000 0 40 HGAB O=C(CCNC(=O)c1ccc(F)cc1F)NCc1ccc(N2CCCCCC2)nc1 48252332 TYERGIJCVJNGKY-UHFFFAOYSA-N 416.472 3.177 0 40 HGAB Cc1noc2nc(-c3cccs3)cc(C(=O)N[C@@H](C)C(=O)NCC(F)(F)F)c12 48289450 VJLQNTDOZVFOGS-VIFPVBQESA-N 412.393 3.057 0 40 HGAB C[C@H]1CCCN(C(=O)COC(=O)c2cccc(-n3cc(Br)cn3)c2)C1 58003749 UMOGZWIAWGBVQW-ZDUSSCGKSA-N 406.280 3.050 0 40 HGAB O[C@@H](COCc1ccccc1Cl)CN1CCC[C@H](c2nnc3n2CCCCC3)C1 58505879 HSWVPORDMRZURA-PKOBYXMFSA-N 418.969 3.415 0 40 HGAB CC(=O)CCc1ccc(OS(=O)(=O)c2ccc(N3CCCC3=O)cc2C)cc1 60127394 YUJRAEGGLAEFSX-UHFFFAOYSA-N 401.484 3.411 0 40 HGAB CC(C)c1nnc2c(=O)n(CC(=O)NCc3ccccc3Cl)c3ccccc3n12 64871688 MXGYUVLPCVJVBN-UHFFFAOYSA-N 409.877 3.137 0 40 HGAB O=S1(=O)CC[C@@H](c2nnc(C3(c4cccc(C(F)(F)F)c4)CCOCC3)o2)C1 71889888 YPGODNWMPIKTMX-GFCCVEGCSA-N 416.421 3.087 0 40 HGAB COCC(=O)N1CCC[C@H]1c1nc(C)c2c(n1)N(Cc1ccccc1OC)CCC2 72373742 RDEWPEZPFQQQBD-IBGZPJMESA-N 410.518 3.056 0 40 HGAB COC(=O)c1nc(NC(=O)[C@@H]2CCCN(c3nc(C)cc(C)n3)C2)sc1C(C)C 79484370 FTUVPVUCXVVZBS-CQSZACIVSA-N 417.535 3.315 0 40 HGAB CCOc1ccccc1NS(=O)(=O)c1cc(C(=O)O)c(F)cc1Br 89272096 HIGBCUUJZWHCOE-UHFFFAOYSA-N 418.240 3.486 0 40 HGAB COC(=O)Nc1ccc(NC(=O)N(C)C[C@@H](c2cccs2)N2CCOCC2)cc1 89340164 QRZCLZLTFSOPIM-KRWDZBQOSA-N 418.519 3.464 0 40 HGAB C[C@H](NC(=O)C(=O)NCc1ccc([C@H](O)c2cccs2)s1)c1ccccc1 90613732 PHBRAGJVDZMCRN-SCLBCKFNSA-N 400.525 3.385 0 40 HGAB C[C@H](COCC(F)(F)F)NC(=O)[C@]12CCC(=O)N1c1cc(Cl)ccc1S2 95385604 KNFSTNWCRKMBCQ-RFAUZJTJSA-N 408.829 3.352 0 40 HGAB CC[C@@H](CO)N1CCN(C(=O)c2cccc3c(=O)c(C)c(-c4ccccc4)oc23)CC1 95430238 DKSGFADTKPJACG-IBGZPJMESA-N 420.509 3.297 0 40 HGAB CCCCn1nc(C(=O)NC[C@@H](O)c2ccc(Cl)c(F)c2)c2ccccc2c1=O 95448137 XTRQMLPBSJGDMQ-GOSISDBHSA-N 417.868 3.453 0 40 HGAB Cc1cc(C(=O)NCc2ccccc2CN2CC[C@H](O)C2)ccc1NC(=O)CC(C)C 96006415 ZRRZSLAUIGSMLI-QFIPXVFZSA-N 423.557 3.476 0 40 HGAB O=C(Nc1nc2c(s1)CN(C(=O)Cc1noc3ccccc13)CC2)c1ccoc1 96096381 RKVKGXOXTCQBLE-UHFFFAOYSA-N 408.439 3.257 0 40 HGAB Cn1cc(CC(=O)N2CC[C@H](S(=O)(=O)c3ccc(Cl)cc3)C2)c2ccccc21 96103484 LLMOHTUVWWGXHA-SFHVURJKSA-N 416.930 3.449 0 40 HGAB O=C(NC1CCCCC1)[C@H]1CC(=O)N(c2n[nH]c3cc(Br)ccc23)C1 96343982 OOHSUOBYVGIUQF-NSHDSACASA-N 405.296 3.127 0 40 HGAB CN(C)Cc1cccc(C(=O)N[C@@H](c2cccc(C(F)(F)F)c2)c2nc[nH]n2)c1 97108897 FVOCOFRAZXWDQQ-KRWDZBQOSA-N 403.408 3.405 0 40 HGAB O=C(Cn1cccc1-c1nc(-c2ccccc2)no1)NCc1ccc2c(c1)OCO2 98211357 FKXMMVVALASHLE-UHFFFAOYSA-N 402.410 3.250 0 40 HGAB CCc1ccc(N([C@@H](C)C(=O)N[C@@H](C)c2ccc(OC)cc2)S(C)(=O)=O)cc1 220287874 UVPJGVSWJQFBON-HOTGVXAUSA-N 404.532 3.290 0 40 HGAB CC[C@@H](C(=O)N[C@@H](C)c1ccccc1OC)N(c1cccc(C)c1)S(C)(=O)=O 222774815 DDGAJTXFPGETPS-LPHOPBHVSA-N 404.532 3.426 0 40 HGAB CCCC(=O)N(Cc1ccc(F)cc1)[C@@H](Cc1ccccc1)C(=O)NCCCO 223196916 SKIYBARROQEOJV-NRFANRHFSA-N 400.494 3.064 0 40 HGAB Cc1cccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3ccc(C(N)=O)cc3)c2)c1 224141548 VSONGOBRUCAMMY-UHFFFAOYSA-N 423.494 3.171 0 40 HGAB CC[C@@H](C(=O)NCCOc1ccccc1C)N(c1cccc(Cl)c1)S(C)(=O)=O 224301096 VXMDMSONEZTOBE-SFHVURJKSA-N 424.950 3.388 0 40 HGAB Cc1cccc(N(CCCC(=O)NCCOc2ccc(F)cc2)S(C)(=O)=O)c1C 224744224 HRMHHYKHOVQROK-UHFFFAOYSA-N 422.522 3.184 0 40 HGAB CCOC(=O)CN(c1ccccc1Br)S(=O)(=O)c1cccs1 225127362 UYPPFBUNQCBIJA-UHFFFAOYSA-N 404.307 3.269 0 40 HGAB CNS(=O)(=O)c1cccc(C(=O)Nc2ccc(Br)c(Cl)c2)c1 225409390 QQHJBCYGYZSNHO-UHFFFAOYSA-N 403.685 3.263 0 40 HGAB C[C@H](NC(=O)[C@H](C)N(c1cccc(F)c1)S(C)(=O)=O)c1ccc2c(c1)CCC2 260941242 RVWUNRSGOGYUSD-GJZGRUSLSA-N 404.507 3.346 0 40 HGAB Cn1ccc(C(=O)N2CCC[C@@H](c3nc4ccc(NCc5ccccc5)cn4n3)C2)n1 306142396 WYNJEPWXXXRWRO-GOSISDBHSA-N 415.501 3.095 0 40 HGAB COc1cccc(CNC(=O)c2ccccc2NC(=O)C(=O)N[C@H]2CCCC[C@@H]2C)c1 408710234 UCKDQFRXLMSSPI-JXFKEZNVSA-N 423.513 3.259 0 40 HGAB O=C(N[C@@H]1C(=O)N/[N+](=C\c2ccccc2Cl)[C@@H]1c1ccccc1)c1ccccc1 409060043 VAKLZXHPWMTFTJ-LADMSCKDSA-O 404.877 3.356 0 40 HGAB O=C(CSc1ccc(F)cc1)N1CC[C@H](Oc2ncc(Br)cn2)C1 585147141 NJTLBHSTLNDNBH-ZDUSSCGKSA-N 412.284 3.150 0 40 HGAB COc1ccc(C(=O)Nc2nc3cc(Br)ccn3n2)c(OC(F)F)c1 1543696108 VIPMGRUODBJLNQ-UHFFFAOYSA-N 413.178 3.354 0 40 HGAB CC(C)N1C(=O)c2ccccc2[C@@H](C(=O)N(C)C)C12CCN(C(=O)C(C)(C)C)CC2 1549174931 WTFGTBMKHZLQIF-IBGZPJMESA-N 413.562 3.130 0 40 HGAB Cc1cc2n(n1)C1(CCN(C(=O)c3ccc(F)cc3F)CC1)CC(=O)N2CC1CC1 1772596431 HJXGQTNDOWEHNH-UHFFFAOYSA-N 414.456 3.248 0 40 HGAB O=S(=O)(CCc1ccccc1)N1[C@H]2CC[C@H]1CC(n1cc(Br)cn1)C2 1775975671 MCPLVBRSIHIBEO-IRXDYDNUSA-N 424.364 3.386 0 40 HGAB COc1cc(OC)cc(C(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)on3)cc2)c1 670731 ILJYHPIKCHUKJS-UHFFFAOYSA-N 417.443 3.053 0 40 HGAB O=C(O)c1ccc(CNC(=O)c2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)cc1 1476141 WFLIHXIKIXKKEG-UHFFFAOYSA-N 406.438 3.244 0 40 HGAB CNC(=O)OCc1c(COC(=O)NC)c(-c2ccc(Br)cc2)n(C)c1C 1873940 IKTNSJSAPNLXLV-UHFFFAOYSA-N 424.295 3.475 0 40 HGAB Cc1ccc(-n2c(SCC(=O)NCc3ccco3)nc3c(c2=O)SCC3)cc1 2719759 WYFFXJBVJCJMSL-UHFFFAOYSA-N 413.524 3.191 0 40 HGAB Cc1ccc(CNC(=O)COC(=O)c2ccccc2I)cc1 3391310 OBWBRSHPBAMPAJ-UHFFFAOYSA-N 409.223 3.073 0 40 HGAB Cc1cc(Br)cc(Cl)c1OCC(=O)NC(=O)NCc1ccco1 4579960 HTDHFKFMTHZNAB-UHFFFAOYSA-N 401.644 3.409 0 40 HGAB COc1ccc(-c2noc(CN(C)C(=O)[C@@H](C)Oc3cccc(C)c3)n2)cc1OC 4943905 JKOLCYYTMZMJOB-OAHLLOKOSA-N 411.458 3.488 0 40 HGAB O=C1CCc2cc(S(=O)(=O)Nc3ccc(OC(F)(F)F)cc3)cc3c2N1CC3 5153533 XRIDZMDTOONHSO-UHFFFAOYSA-N 412.389 3.221 0 40 HGAB COc1cccc(-c2ccc3nnc(SCC(=O)NCCc4ccccc4)n3n2)c1 5168105 GEVOHLIVTHUZDC-UHFFFAOYSA-N 419.510 3.251 0 40 HGAB COc1ccc2c(CC(=O)Nc3cc(S(=O)(=O)N(C)C)ccc3C)coc2c1 5443766 FGZVHEPPTDFDIQ-UHFFFAOYSA-N 402.472 3.181 0 40 HGAB O=C(COc1ccc(F)c(Cl)c1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 5616992 DNWGGYRVIZXKQS-UHFFFAOYSA-N 412.870 3.281 0 40 HGAB Cc1ccc(NC(=O)[C@H](C)OC(=O)C[C@H](NC(N)=O)c2ccccc2Cl)cc1 5630201 OSTNAJHZICKBRO-GUYCJALGSA-N 403.866 3.318 0 40 HGAB O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cccnc1)c1cccs1 6346971 ULIVDFWCORHSAT-LJQANCHMSA-N 404.495 3.282 0 40 HGAB Cc1coc2cc3oc(=O)c(CC(=O)N[C@H](CO)Cc4ccccc4)c(C)c3cc12 6624609 WMDJDMUVCMMVSZ-KRWDZBQOSA-N 405.450 3.418 0 40 HGAB biogenic CCc1c(C)nc(-n2nc(C)cc2NC(=O)c2cccc(Br)c2)[nH]c1=O 7421866 GDVGKAGLCMIDER-UHFFFAOYSA-N 416.279 3.150 0 40 HGAB O=C(c1ccc(-c2nc3ccccc3s2)o1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 7778093 KUBIUBXKPOBWRH-INIZCTEOSA-N 411.483 3.020 0 40 HGAB COc1cc2ncn(CC(=O)Nc3ccc(C(F)(F)F)cc3)c(=O)c2cc1OC 8275710 KAGLZKFXRBOBGL-UHFFFAOYSA-N 407.348 3.071 0 40 HGAB Cc1cccc(NC(=O)CSc2nnc(-c3cc(-c4ccc(F)cc4)n[nH]3)n2N)c1 9540865 CEGBATZYPDEPRG-UHFFFAOYSA-N 423.477 3.227 0 40 HGAB CCN1C[C@H](CN(C)CC(=O)Nc2cc(C)nn2-c2ccccc2)Oc2ccccc21 9836089 XCGTUMPOHRYVDB-FQEVSTJZSA-N 419.529 3.339 0 40 HGAB CCCC(CCC)C(=O)N1CCN(c2ncnc3c2nnn3Cc2ccccc2)CC1 9851659 LCMVMMWWLOTKQI-UHFFFAOYSA-N 421.549 3.135 0 40 HGAB Cc1cc(C(=O)NCC2(c3ccccc3)CCC2)cc(S(=O)(=O)N(C)C)c1C 10221691 OJEYOXRPVMERAL-UHFFFAOYSA-N 400.544 3.405 0 40 HGAB O=C(COC(=O)CCC(=O)c1ccc2c(c1)OCCO2)Nc1cc(Cl)ccc1F 11137765 GRYLQRHAGNNJQI-UHFFFAOYSA-N 421.808 3.395 0 40 HGAB COc1ccc2c(c1)CN(C(C)=O)C[C@@H]([C@@H]1CCCN(Cc3ncccc3C)C1)O2 12135359 MPNYCVGVKOFFCV-DVECYGJZSA-N 409.530 3.420 0 40 HGAB COc1cc(OC)cc([C@@H](NC(=O)/C=C/c2ccc3c(c2)OCO3)c2nccn2C)c1 12550772 YAXUHTDATWNAMG-YHCZKZFASA-N 421.453 3.085 0 40 HGAB Cc1[nH]c2ccccc2c1C(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 12782852 DLBVZWYPXDKPBN-UHFFFAOYSA-N 417.918 3.276 0 40 HGAB COC(=O)c1cccc(NC(=O)CCn2cnc3sc4c(c3c2=O)CCCC4)c1 12800090 TVOQFCRFIABQSR-UHFFFAOYSA-N 411.483 3.152 0 40 HGAB O=C(CCN1CCN(c2ncccn2)CC1)Nc1ccccc1Oc1ccccc1 12852702 XMJYTLBNUXBMCH-UHFFFAOYSA-N 403.486 3.420 0 40 HGAB CC(=O)Nc1ccc(-c2csc(NC(=O)[C@H]3CS[C@]4(C)CCC(=O)N34)n2)cc1 13012150 YABXWDYBOZWIQU-DNVCBOLYSA-N 416.528 3.161 0 40 HGAB Cc1ccc(CN(C)[C@H](C)C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)cc1 13071320 FMLRSPICFWMISW-QGZVFWFLSA-N 403.548 3.013 0 40 HGAB O=C(c1ccc(F)cc1)[C@@H]1[C@@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@@H]2[C@@H]2CCCN21 13557058 TVDYMEYMPBZKCE-MANSERQUSA-N 412.848 3.314 0 40 HGAB COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(Cn1nc3ccccn3c1=O)CC2 14187276 PRTAARNMPNUEHS-HSZRJFAPSA-N 416.481 3.118 0 40 HGAB O=S(=O)(c1ccc(Cl)s1)N1CCN(Cc2ccc(-n3cccn3)cc2)CC1 14248304 CGBNGHCDGFEBIG-UHFFFAOYSA-N 422.963 3.094 0 40 HGAB Cc1cc(NC(=O)CN(C)C(=O)c2ccc3c(c2)C[C@@H](c2ccccc2)OC3=O)no1 15554685 ZGRXKMHURVMDDH-IBGZPJMESA-N 419.437 3.148 0 40 HGAB CCOc1ccc(NC(=O)COc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 16691745 NHQHWRYPIXLXDA-UHFFFAOYSA-N 418.515 3.277 0 40 HGAB NC1=Nc2nc3ccccc3n2[C@@H](c2cn(-c3ccccc3)nc2-c2cccnc2)N1 18053620 IMXHTSDKXZCHFQ-NRFANRHFSA-N 406.453 3.380 0 40 HGAB COc1cc(C(=O)N2CCO[C@@H](c3cc4ccccc4cn3)C2)cc(OC)c1OC 19549562 CBTFGMJZAWOJHD-OAQYLSRUSA-N 408.454 3.474 0 40 HGAB COc1ccc2c(c1)[C@H](CCNC(=O)c1ccc(-n3nc(C)cc3C)cc1)C(=O)N2 19659977 UMQSELDAIGJWEU-IBGZPJMESA-N 404.470 3.354 0 40 HGAB CC1CCN(c2ccc(C(=O)NC[C@H](c3cccnc3)N3CCOCC3)cc2)CC1 19715665 UCYRGTWAFMLXDO-HSZRJFAPSA-N 408.546 3.121 0 40 HGAB Cc1c(C(=O)O[C@H](C(N)=O)c2ccc(F)cc2)cnn1-c1ccc(C(F)(F)F)cn1 22419351 CAUMEVHCBBNWSV-INIZCTEOSA-N 422.338 3.117 0 40 HGAB O=C1O[C@@H](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)Cc2ccccc21 23079788 VDYITTJZNYPAPP-GOSISDBHSA-N 404.388 3.136 0 40 HGAB COC(=O)C[C@@H](NC(=O)C1CCN(C(=O)c2cccs2)CC1)c1cccs1 24970949 XZGJXVSPLMXEOO-CQSZACIVSA-N 406.529 3.082 0 40 HGAB CCc1ccc(O[C@H](C)C(=O)N(Cc2cccc(F)c2)[C@H]2CCS(=O)(=O)C2)cc1 28228673 AJMZAQCWXWOELT-UZLBHIALSA-N 419.518 3.371 0 40 HGAB CNS(=O)(=O)c1ccc(CNC(=O)[C@@H](C)Oc2ccc(-c3ccccc3)cc2)cc1 32818192 XIIUUMQTROAEHS-QGZVFWFLSA-N 424.522 3.345 0 40 HGAB CC(C)c1cccc(NC(=O)CN2CCC(NS(=O)(=O)c3cccs3)CC2)c1 32865334 YZDYUWGIEDYVJT-UHFFFAOYSA-N 421.588 3.253 0 40 HGAB O=C(Cc1n[nH]c(=O)c2ccccc12)N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1 32895274 ZSJLCCZJHUVGJC-HSZRJFAPSA-N 409.449 3.248 0 40 HGAB C[C@@]1(c2cccc(C(F)(F)F)c2)NC(=O)N(CN2CCc3ccccc3C2)C1=O 32935480 HILSUAWVHBGUEM-FQEVSTJZSA-N 403.404 3.488 0 40 HGAB Cc1ccc(C2=NC3(CCN(CC(=O)Nc4cccc(Cl)c4)CC3)NC2=O)cc1C 35430733 HUXUMBQIBXUDPG-UHFFFAOYSA-N 424.932 3.307 0 40 HGAB biogenic C[C@@H]1Sc2ccc(C(=O)OCC(=O)N(C)Cc3cccc(F)c3)cc2NC1=O 39607117 UDEVAKKPEBTVSS-LBPRGKRZSA-N 402.447 3.074 0 40 HGAB COc1cc(C(C)=O)ccc1OC[C@@H](O)CNCC1(N2CCCCC2)CCCCC1 39945131 SXEPCONCYVSSLA-NRFANRHFSA-N 418.578 3.416 0 40 HGAB O=C(NC[C@@H](c1ccccc1Cl)N1CCCC1)[C@@H]1CCCN(c2cnccn2)C1 40063315 LZLJJZFGRVTUKL-XLIONFOSSA-N 413.953 3.300 0 40 HGAB CCOC(=O)c1cnn(-c2ccc(NC(=O)c3cnc4onc(C)c4c3)cc2)c1C 40091068 FRUMPMZTZKXUEV-UHFFFAOYSA-N 405.414 3.454 0 40 HGAB Cc1nn2c(=O)cc(CSc3cc(C(=O)NC4CC4)c4ccccc4n3)nc2s1 40119314 JJYLHBHQSZOUTM-UHFFFAOYSA-N 423.523 3.192 0 40 HGAB COc1ccc(NC(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)cc1S(=O)(=O)N(C)C 40141356 JVSNNWYGJBTMIH-NWDGAFQWSA-N 408.442 3.253 0 40 HGAB Cn1cc(-c2nc(C(=O)Nc3cccc(NC(=O)c4ccncc4)c3)cs2)cn1 45019715 NNDCJPPXYCPCGA-UHFFFAOYSA-N 404.455 3.443 0 40 HGAB CC[C@@H]1CCCCN1C(=O)[C@H](C)S(=O)(=O)Cc1cc(Cl)c2c(c1)OCO2 48253312 OTTSWEABXVPZGT-GXTWGEPZSA-N 401.912 3.163 0 40 HGAB CCCN(CCC)C(=O)Cn1c(=O)n(-c2ccc(C)cc2C)c(=O)c2sccc21 57492907 ZICJSUJWTWLNRB-UHFFFAOYSA-N 413.543 3.479 0 40 HGAB CCCCN(CC)C(=O)Cn1c(=O)n(-c2ccc(C)cc2C)c(=O)c2sccc21 57492916 OXMAIXSYTBSLFT-UHFFFAOYSA-N 413.543 3.479 0 40 HGAB COc1ccc(NC(=O)[C@H]2CCCN2C(=O)Nc2ccc(-c3nncn3C)cc2)cc1 58146064 FQBADKTXNVSPAZ-LJQANCHMSA-N 420.473 3.126 0 40 HGAB O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@H]1CCC[C@@H](C(F)(F)F)C1 58225113 VSIJQCUOCLXVDX-UONOGXRCSA-N 420.453 3.015 0 40 HGAB NC(=O)c1cccc(CCNC(=O)c2nc(-c3cccs3)n(-c3ccccc3)n2)c1 60366331 ZSFUOYAPONBTET-UHFFFAOYSA-N 417.494 3.067 0 40 HGAB Cc1cc(C)n(CC(=O)Nc2ccccc2F)c(=O)c1S(=O)(=O)c1ccccc1 64838450 LDLARMOCVDVIKG-UHFFFAOYSA-N 414.458 3.076 0 40 HGAB CC(C)CNC(=O)N1CCC[C@@H](CC(=O)Nc2sccc2C(=O)NC2CC2)C1 72294648 JPFNBCKPZLJETI-AWEZNQCLSA-N 406.552 3.047 0 40 HGAB NC(=O)c1cccc(-c2cnc(N)nc2[C@@H]2CCCN2CCc2ccc(F)cc2)c1 72354834 GDWUNZBNZFXNAI-FQEVSTJZSA-N 405.477 3.343 0 40 HGAB CCOC(=O)c1sc(NC(=O)c2cc3c(OC)ccc(OC)c3n2C)nc1C 72402177 IGHOOGPYOTZTQS-UHFFFAOYSA-N 403.460 3.389 0 40 HGAB CON(C)S(=O)(=O)c1cccc(C(=O)N[C@H]2c3cccc(F)c3CC[C@@H]2C)c1 79024612 XDBYJKYWILJGEV-ORAYPTAESA-N 406.479 3.061 0 40 HGAB CCc1cc(=O)n2nc(N(CCN3CCCC3)Cc3ccc(Cl)cc3)sc2n1 83820267 GVKKXCJGRUYDND-UHFFFAOYSA-N 417.966 3.469 0 40 HGAB NS(=O)(=O)c1cc(-c2nc(-c3cccc(Cn4cnc5ccccc54)c3)no2)co1 95462725 VVTSOJLPBXVTOL-UHFFFAOYSA-N 421.438 3.042 0 40 HGAB CN(C)S(=O)(=O)c1ccc(-c2csc(NC(=O)[C@@H]3C[C@H]4CC[C@H]3C4)n2)cc1 106093863 FKFQXYPSFSNEQB-DUVNUKRYSA-N 405.545 3.435 0 40 HGAB CCS(=O)(=O)N1C[C@@H](C(=O)N[C@@H](C)c2cc(C)ccc2C)Oc2ccccc21 113946537 OQRVMLKGCGHJRA-JXFKEZNVSA-N 402.516 3.098 0 40 HGAB CC(=O)c1ccc(N2CCN(C(=O)CSC(=S)N3CCCC[C@H]3C)CC2)cc1 215754880 CUNMAVGNZPWIPS-MRXNPFEDSA-N 419.616 3.430 0 40 HGAB COc1ccc(C)cc1N([C@H](C)C(=O)NCCCc1ccc(C)cc1)S(C)(=O)=O 220343880 IJGUZEXECZOSHF-GOSISDBHSA-N 418.559 3.216 0 40 HGAB CC[C@@H](C(=O)N[C@@H](C)c1ccc(F)cc1)N(c1cccc(OC)c1)S(C)(=O)=O 220631244 AVLGTVRCDNCOHA-LIRRHRJNSA-N 408.495 3.256 0 40 HGAB CC[C@H](C)NS(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2Cl)s1 223513305 HQXAJYREWKMGQQ-ZETCQYMHSA-N 409.320 3.174 0 40 HGAB COC(=O)c1cc(S(=O)(=O)Nc2ccc(C)c(N3CCCC3=O)c2)ccc1Cl 223834380 NCTRZTOTNUMBPG-UHFFFAOYSA-N 422.890 3.363 0 40 HGAB CN(C)S(=O)(=O)N(C)c1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 224875268 YHDSKJXSJUUVFC-UHFFFAOYSA-N 417.409 3.080 0 40 HGAB CCc1ccc(CC(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2OC)cc1 225332990 BNCLBMBWYBQTPG-UHFFFAOYSA-N 402.516 3.223 0 40 HGAB CS(=O)(=O)N(CCCC(=O)Nc1c(F)cccc1F)c1ccc(F)c(F)c1 225340098 KISDYENTVQDVMI-UHFFFAOYSA-N 404.385 3.428 0 40 HGAB COC(=O)c1ccc(C)c(NC(=S)NCc2nc(-c3cccc(OC)c3)no2)c1 225822328 BGFVMDPXHQULOS-UHFFFAOYSA-N 412.471 3.327 0 40 HGAB Cc1cc(N2CCO[C@H](c3cc(CCOc4ccc(F)c(F)c4)[nH]n3)C2)nc(C)n1 257221836 DQSLUGCATHKXPX-FQEVSTJZSA-N 415.444 3.294 0 40 HGAB O=C(c1cccc(-n2cnnc2)c1)N1CCOC[C@H](Cc2cccc3occc23)C1 257225561 FGSZXFCWJIBVDX-QGZVFWFLSA-N 402.454 3.345 0 40 HGAB Cc1ccc(CC(=O)N2CCO[C@H](c3cccc(-c4ccc(N)nc4)n3)C2)cc1C 257304121 SKDYCSJXBVAYAK-QFIPXVFZSA-N 402.498 3.485 0 40 HGAB CC(C)OCC(=O)N1CCO[C@@H](c2cc(CCOc3cccc(Cl)c3)n(C)n2)C1 257329312 XJHUZMSPHBNMCF-HXUWFJFHSA-N 421.925 3.020 0 40 HGAB CCCNC(=O)COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1Cl 408562535 QSWUWTSFIDIEMH-UHFFFAOYSA-N 422.934 3.387 0 40 HGAB COc1ccc(OC)c(NC(=O)c2ccccc2N2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)c1 408672494 NHIKPVRIEWBGAW-BMHXQBNDSA-N 420.465 3.492 0 40 HGAB O=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1)NC1CC1 409004818 DVPHYZSMJQYWLA-UHFFFAOYSA-N 413.326 3.463 0 40 HGAB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NC1CCCC1)c1ccccc1 409390751 VUEMGYBQUORUNK-UHFFFAOYSA-N 402.516 3.258 0 40 HGAB O=C(NCCc1c[nH]c2ccc(Cl)cc12)[C@H]1CCS(=O)(=O)c2ccccc21 551630678 WONRUWKBOZDIDZ-INIZCTEOSA-N 402.903 3.441 0 40 HGAB Cc1cc(C(=O)CSc2nccn2-c2ccc(N(C)C)cc2)c(C)n1-c1nc[nH]n1 1652759603 JBDZIWRWBOJIQR-UHFFFAOYSA-N 421.530 3.439 0 40 HGAB Cn1c(Oc2ccc(Cl)cc2)nc2c1c(=O)n(Cc1ccc(F)cc1)c(=O)n2C 2488345 VSCYXOILSZUJAE-UHFFFAOYSA-N 414.824 3.067 0 40 HGAB biogenic COc1cc(OC)cc(C(=O)N[C@@H](C(=O)Nc2ccc(NC(C)=O)cc2)C(C)C)c1 2619197 KMNZKAXFGDBJCQ-HXUWFJFHSA-N 413.474 3.055 0 40 HGAB COc1cc2c(cc1OC)CN(C(=O)CCNC(=O)c1ccccc1Cl)CC2 2644206 MWXWNUNSOCWAGW-UHFFFAOYSA-N 402.878 3.062 0 40 HGAB C[C@H]1C[C@H](C)CN(C(=O)CSc2nnc(Cc3cccc4ccccc34)n2N)C1 3294267 BBOLWXZOSWUWDA-HOTGVXAUSA-N 409.559 3.333 0 40 HGAB COc1cc(C(=O)OCC(=O)N[C@H](C)CCc2ccccc2)cc(OC)c1OC 3300981 FNCPRAACSNIFBD-OAHLLOKOSA-N 401.459 3.007 0 40 HGAB O=C(CCCCCn1c(=O)[nH]c2ccccc2c1=O)NCCc1ccccc1Cl 4591353 QRJMYTJJMPZIBO-UHFFFAOYSA-N 413.905 3.263 0 40 HGAB C[C@@H]1C(=O)N(c2ccc(Br)cc2)C(=O)[C@H]2C(=O)Oc3ccccc3[C@H]12 4653496 MWCBFVAZHWOBHI-HNHYXYPQSA-N 400.228 3.277 0 40 HGAB CCCCCCN1N=C(C)Cn2c1nc1c2c(=O)n(CCCCCC)c(=O)n1C 5148167 DOQQCHWSVLFUBX-UHFFFAOYSA-N 402.543 3.253 0 40 HGAB Cc1cc(C(=O)COC(=O)c2n[nH]c(=O)c3ccccc23)c(C)n1Cc1ccco1 5183243 PBJXBABIRRDOQE-UHFFFAOYSA-N 405.410 3.022 0 40 HGAB CNS(=O)(=O)c1cc(-c2nn3c(CSC)nnc3c3ccccc23)ccc1C 5246406 BJOOMNYZXZENLX-UHFFFAOYSA-N 413.528 3.024 0 40 HGAB CCOc1ccc(NC(=O)C(=O)Nc2ccc3c(c2)N(C(=O)C2CC2)CCC3)cc1 5252881 MCVXMRYCDPPQLZ-UHFFFAOYSA-N 407.470 3.352 0 40 HGAB CCc1ccc(C(=O)O[C@@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 5691775 SZJXCJHVGWAABW-INIZCTEOSA-N 407.470 3.231 0 40 HGAB COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3ccco3)ccc2OC)cc1 6230479 UJCZTHKWVBNJHC-UHFFFAOYSA-N 402.428 3.350 0 40 HGAB Cc1[nH]c2ccccc2c1[C@@H]1c2ccccc2C(=O)N1CC(=O)NC[C@H]1CCCO1 6279899 CYEARHVJOBIBGM-MWTRTKDXSA-N 403.482 3.317 0 40 HGAB COc1ccc(CNC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)cc1 6378204 YTKBFLUTUMLAEP-UHFFFAOYSA-N 408.907 3.063 0 40 HGAB Cc1ccc(NC(=O)COc2ccccc2[C@@H]2CC(=O)Nc3ncnn32)cc1Cl 6449827 AKGQTTLDZFMYFK-INIZCTEOSA-N 411.849 3.189 0 40 HGAB CON(C)S(=O)(=O)c1ccc(Br)c(C(=O)OCC2CCCCC2)c1 7722277 FAOZKPCROHEJMR-UHFFFAOYSA-N 420.325 3.368 0 40 HGAB COc1ccc(CSCC(=O)Nc2ccccc2C(=O)N2CCOCC2)cc1 8117416 WHQWBQJHPWVSCF-UHFFFAOYSA-N 400.500 3.040 0 40 HGAB Cc1c(Cl)cccc1NC(=O)COc1ccc(N2C[C@H](C(=O)O)CC2=O)cc1 8732524 OSIQBIOEDSTGEQ-CYBMUJFWSA-N 402.834 3.103 0 40 HGAB CCOC(=O)C1=NO[C@@H](CN(c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)C1 8762835 YCSDXWJCICKNCZ-MRXNPFEDSA-N 422.890 3.243 0 40 HGAB O=C(Oc1ccc2c(c1)OCO2)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 9384413 BYBBZUAVBVGKFX-UHFFFAOYSA-N 423.874 3.075 0 40 HGAB CCOc1ccccc1C(=O)Nc1nnc(SCC(=O)Nc2cc(C)on2)s1 9391106 FWICRTFGCCEIPO-UHFFFAOYSA-N 419.488 3.216 0 40 HGAB CS(=O)(=O)Cc1ccc(C(=O)OCc2cc(=O)oc3cc4c(cc23)CCC4)cc1 9839715 BGKCLNIMWPHCOT-UHFFFAOYSA-N 412.463 3.183 0 40 HGAB C[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)Nc1ccccc1Cl 10127433 GRQJJBZMPXLDIK-SNVBAGLBSA-N 417.712 3.408 0 40 HGAB C[C@H]1Cc2cc(C(=O)Nc3ccccc3Br)ccc2N1S(C)(=O)=O 10324137 YMOXSPOPSCTCFD-NSHDSACASA-N 409.305 3.412 0 40 HGAB Cc1nn2c(=O)cc(CSc3nnc(N)s3)[nH]c2c1-c1cccc(Cl)c1 10338928 WZGYAFZRAFALBT-UHFFFAOYSA-N 404.908 3.377 0 40 HGAB CCCCSc1nnc(NC(=O)c2nn(-c3ccc(OC)cc3)ccc2=O)s1 11914450 OLNHSBPEYFXKEC-UHFFFAOYSA-N 417.516 3.237 0 40 HGAB CC(C)c1cc(C(F)(F)F)n2nc([C@@H]3CCCN3C(=O)[C@@H]3CC(=O)N(C)C3)cc2n1 12230394 LYHQFBOLNJUQRN-DOMZBBRYSA-N 423.439 3.013 0 40 HGAB O=C(C1CCCC1)N1CCN(S(=O)(=O)c2cc(Cl)cnc2C2CCC2)CC1 12235464 VUHITSQXXYFGBQ-UHFFFAOYSA-N 411.955 3.026 0 40 HGAB COc1ccc(NC(C)=O)cc1NC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 12391751 BOWCSJOKRDCOTR-ZDUSSCGKSA-N 401.850 3.299 0 40 HGAB O=C(Cc1cc(F)ccc1F)N1CCC(c2noc(-c3ccc(O)nc3)n2)CC1 12408013 RNVONPVQOHETHA-UHFFFAOYSA-N 400.385 3.064 0 40 HGAB COc1ccc(CCN[C@@H]2CC(=O)N(c3ccc(OC(F)(F)Cl)cc3)C2=O)cc1 12420699 LLMXCEQVXZVKLR-QGZVFWFLSA-N 424.831 3.327 0 40 HGAB O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)[C@H]1COc2ccccc2C1 12561016 MHMPJXSVPGKTCF-CQSZACIVSA-N 415.496 3.134 0 40 HGAB O=C(Cn1c(=O)cnc2ccccc21)Nc1cccc(-c2nnc3n2CCCCC3)c1 12568884 NIYBFHYGKWCMPG-UHFFFAOYSA-N 414.469 3.020 0 40 HGAB Cc1cccc(OCCC(=O)NCCN2C(=O)S/C(=C\c3cccnc3)C2=O)c1 12592380 SUZXWZUALQQOTD-AQTBWJFISA-N 411.483 3.012 0 40 HGAB CCOC(=O)CCCNC(=O)CSc1nc(C(F)(F)F)nc2ccccc12 12792642 YZFSAVHBLXARME-UHFFFAOYSA-N 401.410 3.200 0 40 HGAB CCOC(=O)C1(c2ccccc2)CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1 12813196 QILLRBBICPQGJQ-UHFFFAOYSA-N 415.511 3.175 0 40 HGAB COc1cccc(CN(C)C(=O)c2sc3nc4n(c(=O)c3c2C)CCC4)c1OC 12875831 LYNBCCSEVKGZOZ-UHFFFAOYSA-N 413.499 3.002 0 40 HGAB CCNC(=O)c1cc(S(=O)(=O)Nc2ccc(Br)cc2)ccc1OC 13683266 SNXSJOQZWBOPAM-UHFFFAOYSA-N 413.293 3.008 0 40 HGAB COc1ccc(Cl)cc1NC(=O)c1nn([C@@H]2CCS(=O)(=O)C2)c2c1CCCC2 13692882 MAJWSLAPXUBCIO-CYBMUJFWSA-N 423.922 3.036 0 40 HGAB Cc1cc(C)n2nc(S(=O)(=O)N(Cc3ccccc3)Cc3ccccc3)nc2n1 15107992 ZBCBJUQWBSPXBS-UHFFFAOYSA-N 407.499 3.132 0 40 HGAB CCCN(Cc1nnc(-c2cccs2)o1)S(=O)(=O)c1ccc(C(=O)OC)cc1 15330919 NBWGRMNVLFMXAN-UHFFFAOYSA-N 421.500 3.186 0 40 HGAB O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccccc1OC(F)F 16050956 GMNLVVWOLPBHDU-UHFFFAOYSA-N 420.397 3.131 0 40 HGAB CCC[C@H](c1nnnn1C(C)(C)CC)N1CCN(Cc2ccc3c(c2)OCO3)CC1 19501856 KWKZPIBIJQHZMP-GOSISDBHSA-N 414.554 3.206 0 40 HGAB CCN1CCN(Cc2nccn2CC)C[C@@H](Cc2ccccc2-c2cccnc2)C1=O 19578121 QDJRATZGEHZLBA-JOCHJYFZSA-N 417.557 3.488 0 40 HGAB Cc1nc(-c2cccc(NC(=O)CN3CCC(Oc4cnccn4)CC3)c2)cs1 19659147 AAVRYMOJMKUOPH-UHFFFAOYSA-N 409.515 3.390 0 40 HGAB COc1ccccc1CN(Cc1cc2c(cc1C)n(C)c(=O)n2C)C1CCN(C)CC1 19662985 ZEMPDYJXRXOQQN-UHFFFAOYSA-N 422.573 3.290 0 40 HGAB COc1ccc(-c2cc(C(=O)Nc3nc(-c4cnn(C)c4)cs3)[nH]n2)c(OC)c1 19716301 IWZOUOOBYAKTNG-UHFFFAOYSA-N 410.459 3.203 0 40 HGAB CCCn1nc(C)c(-c2cc(C(=O)N3CC[C@@](O)(c4ccc(C)cc4)C3)[nH]n2)c1C 19719289 FJUXZZCPMSUNQT-QHCPKHFHSA-N 407.518 3.342 0 40 HGAB CC(C)CNC(=O)c1cc([C@@H]2CCN(C(=O)c3cccnc3N)C2)nc2ccccc12 19761577 YFVHZOJXININJI-MRXNPFEDSA-N 417.513 3.228 0 40 HGAB CCn1cc(CN2CCO[C@H](c3cc(C(=O)NCC(C)C)c4ccccc4n3)C2)cn1 19762901 ZBNDTEJGRXYISA-QHCPKHFHSA-N 421.545 3.411 0 40 HGAB CCCNS(=O)(=O)c1cc(C(=O)Nc2ccc(F)c(F)c2F)ccc1OC 20025058 ZOWUAZKLWBXVAQ-UHFFFAOYSA-N 402.394 3.053 0 40 HGAB CC[C@@H](C)[C@H](NC(=O)N1CCc2nc[nH]c2[C@H]1c1cc(Cl)ccc1F)C(=O)OC 20723671 ADRAJSOYDBQBDU-DPZKZMLUSA-N 422.888 3.447 0 40 HGAB C[C@@H](Sc1nnc(C2CC2)n1C1CC1)C(=O)N1CCN(Cc2ccccc2)CC1 22018327 AIFAPHFEKNXRGS-MRXNPFEDSA-N 411.575 3.315 0 40 HGAB CCOc1cc2c(cc1CN(CCN1CCOCC1)Cc1cccnc1)O[C@@H](C)C2 22931507 VNJGADMVANRBNI-IBGZPJMESA-N 411.546 3.138 0 40 HGAB Cc1cc(C)c(C)c(S(=O)(=O)N[C@H](CN2CCOCC2)c2ccccc2)c1C 24293280 SXMZDBYEPNTRHC-OAQYLSRUSA-N 402.560 3.272 0 40 HGAB COc1ccc(Cl)cc1N1C[C@H](C(=O)NC[C@H](c2cccs2)N(C)C)CC1=O 27675846 RJHZVYWHWABLPG-CZUORRHYSA-N 421.950 3.182 0 40 HGAB COc1ccc(Nn2c(N)nn(CC(=O)c3ccc(OC(F)F)cc3)c2=S)cc1 28535194 DAGZRHNVBJJIQY-UHFFFAOYSA-N 421.429 3.364 0 40 HGAB Cc1ccccc1NC(=O)N1CCN(c2ncnc3cc4c(cc23)OCCO4)CC1 28556219 QTNAUCZZRMLSQC-UHFFFAOYSA-N 405.458 3.064 0 40 HGAB COC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)CCc2cccs2)CC1 30685034 CIVRXEDPUGTOIA-IBGZPJMESA-N 406.935 3.393 0 40 HGAB CCN1CCN([C@H](C(=O)O)c2c[nH]c3ccc(NC(=O)c4ccccc4)cc23)CC1 32096721 LZFOXNCSDTZOCU-NRFANRHFSA-N 406.486 3.183 0 40 HGAB O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1cnn(-c2ccccc2F)c1-n1cccc1 32449217 RHTGSYZTKPQWBU-UHFFFAOYSA-N 402.389 3.224 0 40 HGAB C[C@H]1CCN(C(=O)C2=CC(c3ccc(F)cc3)=NS(=O)(=O)N2C)[C@@H]2CCCC[C@H]12 35312634 KVPSFZYRUKXTRM-POZUXBRTSA-N 419.522 3.116 0 40 HGAB Cc1cc2ncn(CCC(=O)Nc3ccc4c(c3)N(S(C)(=O)=O)CC4)c2cc1C 36752353 IHJLFHQFIGVMBG-UHFFFAOYSA-N 412.515 3.004 0 40 HGAB O=C(CCc1nnc(-c2ccccc2)o1)NCCC(=O)N1CCCc2ccccc21 40122528 PFDJFGRVKHRTRC-UHFFFAOYSA-N 404.470 3.155 0 40 HGAB O=C(CCS(=O)(=O)C1CCCC1)Nc1nc(-c2ccc3c(c2)OCO3)cs1 40129907 PMAIYSMTQLSYGY-UHFFFAOYSA-N 408.501 3.225 0 40 HGAB CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)CCN2C(=O)COc3ccccc32)c1 48362612 ONTUMJPXDPKIKI-MRXNPFEDSA-N 409.486 3.103 0 40 HGAB COc1ccc([C@H](NCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c2ccccc2)cc1 53517369 COGBXHHBFDGVEV-JOCHJYFZSA-N 402.454 3.183 0 40 HGAB CCOC(=O)[C@@H]1[C@@H](c2ccc(Cl)cc2Cl)NC(=O)N(C)[C@]1(O)C(F)(F)F 57531310 HCTJVFJACMCBSF-MISXGVKJSA-N 415.195 3.120 0 40 HGAB NC(=O)Cc1ccc(OCC(=O)N2CCc3sccc3[C@@H]2c2ccccc2)cc1 58111993 JSDQAGABEYADFR-QHCPKHFHSA-N 406.507 3.329 0 40 HGAB CC(C)(C)CC(C)(C)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 58504120 BMHPEOYGNKTRDL-UHFFFAOYSA-N 416.971 3.306 0 40 HGAB Cc1nc(-c2ccc(F)cc2)n(CC(=O)Nc2ccccc2Cl)c(=O)c1CCO 67300845 CQXXQPLWHPALIF-UHFFFAOYSA-N 415.852 3.185 0 40 HGAB C[C@H](NC(=O)CCC[S@@](=O)c1ccc(Br)cc1)C(C)(C)CN(C)C 72297866 ZVSYDZKYKYZOBF-BSEYFRJRSA-N 417.413 3.429 0 40 HGAB CCNC(=O)C1(Cc2ccccc2-c2ccncc2)CCN(C(=O)c2cc[nH]n2)CC1 72345020 UNDJQUSZLQXCMT-UHFFFAOYSA-N 417.513 3.073 0 40 HGAB Cc1cccc(CNS(=O)(=O)c2ccc3c(c2)[C@H](NC(=O)c2ccccc2)CC3)n1 72345821 PETPRDNHYAMUPV-JOCHJYFZSA-N 421.522 3.286 0 40 HGAB NC(=O)c1cccc(-c2nccnc2[C@@H]2CCCN(C(=O)c3ccc(F)cc3)C2)c1 72358487 KFXQMOYJPAZRKS-GOSISDBHSA-N 404.445 3.401 0 40 HGAB COc1ccc(CNC(=O)CCc2nc(-c3ccc4cc[nH]c4c3)no2)cc1OC 79477018 XMMNKBCCQHNQTL-UHFFFAOYSA-N 406.442 3.484 0 40 HGAB CNS(=O)(=O)c1ccc(C(=O)N2CCc3c(Cl)cc(Cl)cc3[C@@H]2C)o1 84718156 CXZROTAEMSFEDM-VIFPVBQESA-N 403.287 3.254 0 40 HGAB O=C(Nc1ccc(Oc2cccnc2)nc1)c1cccc(N2CCCS2(=O)=O)c1 89779498 LRDPUZMBVRUSKF-UHFFFAOYSA-N 410.455 3.061 0 40 HGAB COC(=O)c1ccccc1NC(=O)Cn1c(-c2ccccc2)nc(C)c(Cl)c1=O 90610149 MXCOZRYZLFBEHB-UHFFFAOYSA-N 411.845 3.297 0 40 HGAB O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)O)c1ccc(NC(=O)c2ccco2)cc1 95424587 YKLOBJBTMGFKPN-LJQANCHMSA-N 417.421 3.439 0 40 HGAB Brc1cc2c(cc1CN1CCC[C@H](Cn3cncn3)C1)OCCCO2 95464605 QLAZYAKDRMXELD-AWEZNQCLSA-N 407.312 3.114 0 40 HGAB CSCC[C@H](Nc1nc(C)cc(C)n1)C(=O)N1CCO[C@@H](c2ccccc2)C1 95478945 OZLRBWYIVGILKH-RBUKOAKNSA-N 400.548 3.227 0 40 HGAB Cc1ccc(NC(=O)c2cc(-c3cnc(N4CCOCC4)nc3)cn2CC2CC2)cn1 96037705 CJMDXTNTTKMQPK-UHFFFAOYSA-N 418.501 3.147 0 40 HGAB COc1cc2c(cc1OC)CC(=O)N(CC(=O)N[C@H](C)CCc1ccccc1)C=C2 96221463 FRXSWBVQXUDCKW-QGZVFWFLSA-N 408.498 3.197 0 40 HGAB biogenic COc1ccc2c3c1O[C@H]1[C@]34CCN(C)[C@H](C2)[C@]42C=C[C@@]1(OC)[C@@](C)(C(C)(C)O)C2 96316433 AKBVQTSSRCUQMV-KYAHOTTCSA-N 411.542 3.077 0 40 HGAB biogenic,in-vitro O=S(=O)(CCN1CCN(C(c2ccccc2)c2ccccc2)CC1)C(F)(F)F 96663066 NPCLBDQCHOBEPM-UHFFFAOYSA-N 412.477 3.328 0 40 HGAB CN1c2cc(C(=O)N3CCN(c4ccccc4F)CC3)ccc2C(=O)N2CCCC[C@H]21 97139011 OEWGVSHWOUHQCQ-QFIPXVFZSA-N 422.504 3.190 0 40 HGAB O=C1C[C@H](N2CCN(CCCc3ccccc3)CC2)C(=O)N1c1ccc(Cl)cc1 100216003 DISGQYQXKDBPIV-NRFANRHFSA-N 411.933 3.222 0 40 HGAB CC(=O)c1ccc(N2CCN(C[C@@H](O)COCC3=CC[C@@H]4C[C@@H]3C4(C)C)CC2)cc1 102664605 LQYFQQZOGBCADR-JRFVFWCSSA-N 412.574 3.381 0 40 HGAB O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)NCc1ccc(COc2ccccc2)cc1 103190984 WIUCKHYONBPBAI-SFTDATJTSA-N 406.482 3.057 0 40 HGAB CC[C@@H](NC(=O)CCc1ccc(OC)c(OC)c1)c1ccc(S(C)(=O)=O)cc1 219282521 ZFYMWUBAZGUEMW-GOSISDBHSA-N 405.516 3.307 0 40 HGAB CCOC(=O)c1cc(NC(=O)c2cccc(N(C)S(C)(=O)=O)c2C)ccc1Cl 222441731 LMNIERBQMZAUPN-UHFFFAOYSA-N 424.906 3.473 0 40 HGAB CC[C@H](Oc1ccccc1Cl)C(=O)Nc1nnc(SCC(=O)OC)s1 222557827 YGFDZCUUQCGRGB-JTQLQIEISA-N 401.897 3.253 0 40 HGAB COc1ccc(F)cc1S(=O)(=O)N1CCC(C(=O)N(C)c2ccc(F)cc2)CC1 222622025 YYYPRSSVIPPBHQ-UHFFFAOYSA-N 424.469 3.037 0 40 HGAB Cc1cc(C)c([C@@H](C)NC(=O)CN(c2ccccc2F)S(=O)(=O)N(C)C)cc1C 223458945 WHBATQONHXHGEW-QGZVFWFLSA-N 421.538 3.241 0 40 HGAB Cc1ccc(NC(=S)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 224349042 CMNKXCRHEKJMFB-UHFFFAOYSA-N 419.572 3.145 0 40 HGAB CCCSc1nnc(NC(=O)c2ccc(N(C)S(=O)(=O)CC)cc2)s1 224936887 MQWKNUMXWYFSNU-UHFFFAOYSA-N 400.551 3.078 0 40 HGAB CCOc1ccc(-c2noc(CNS(=O)(=O)c3cc(Cl)ccc3OC)n2)cc1 225071412 IFOYWUJMZGHAOI-UHFFFAOYSA-N 423.878 3.276 0 40 HGAB CC(=O)N1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)c1ccnnc1 257229689 FZDQNLBZAMCVFU-ACUMWEPGSA-N 418.541 3.482 0 40 HGAB NC(=O)C[C@@]1(COc2ccc(F)cc2)CCCN(C(=O)CCc2ccccc2F)C1 257255525 KHVCVJCPHIRJPK-QHCPKHFHSA-N 416.468 3.461 0 40 HGAB CCN(CC)S(=O)(=O)N1CC[C@H](c2cc(Nc3ccc(F)cn3)cc(C)n2)C1 257311561 UKAUPGJYALTPJL-HNNXBMFYSA-N 407.515 3.044 0 40 HGAB O=C(NCc1ccccc1)c1ccc(N2C(=O)c3nc4ccccc4nc3C2=O)cc1 408973478 BCOMYMCVLHEGFV-UHFFFAOYSA-N 408.417 3.360 0 40 HGAB CCn1c(CNC(=O)c2ccccc2)nnc1SCC(=O)N[C@@H]1CCCC[C@H]1C 409154748 PSZFDYAJNAQIKS-NVXWUHKLSA-N 415.563 3.015 0 40 HGAB O=C(Cc1c[nH]c2ccccc12)N1CCC[C@@H](Oc2ncc(Br)cn2)C1 585341906 GVSJGNZRNPLVEJ-OAHLLOKOSA-N 415.291 3.333 0 40 HGAB O=C(c1cc(C2CCOCC2)ncn1)N1CCN(c2ccc(F)c(Cl)c2)CC1 1888860295 OESVOIPGCYTURL-UHFFFAOYSA-N 404.873 3.126 0 40 HGAB Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NC2CCCCC2)cc1 741739 GXBYCFRZJCWTTE-NRFANRHFSA-N 400.544 3.334 0 40 HGAB O=C(N[C@@]1(C(F)(F)F)N=C(O)N(Cc2ccccc2)C1=O)c1cccc(Cl)c1 2195408 YVAGVPJEVYRFLG-QGZVFWFLSA-N 411.767 3.285 0 40 HGAB COc1ccc([C@@H](O)C[C@@H]2c3c(cc4c(c3OC)OCO4)CCN2C)c(OC)c1 4029311 YLFOXWHTQSYROJ-SJORKVTESA-N 401.459 3.094 0 40 HGAB biogenic O=C(O)c1cc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)c(Cl)cc1Cl 4148036 LCTRVSCADYNEFU-UHFFFAOYSA-N 404.227 3.264 0 40 HGAB CC[C@@H](OC(=O)C[C@@H]1Sc2ccccc2NC1=O)C(=O)NCCc1ccccc1 4967098 ABUCKDJISNOVCX-MJGOQNOKSA-N 412.511 3.170 0 40 HGAB CCOC(=O)c1ccccc1NS(=O)(=O)c1cc2c3c(c1)[C@@H](C)C(=O)N3CCC2 5153971 UFSRALLCAUGIDN-CYBMUJFWSA-N 414.483 3.060 0 40 HGAB CN(C)S(=O)(=O)n1cc(/C=C/c2noc(-c3ccccc3O)n2)c2ccccc21 5274458 JWKBJBCUAMQXHL-VAWYXSNFSA-N 410.455 3.222 0 40 HGAB C[C@H](OC(=O)C(C)(C)Oc1ccc(Cl)cc1)C(=O)Nc1ccc(C(N)=O)cc1 5652870 FYJWLIUDCKCLIY-LBPRGKRZSA-N 404.850 3.167 0 40 HGAB O=C(Cn1c(=O)n(Cc2ccccc2)c(=O)c2sc3ccccc3c21)N1CCCC1 6739261 OABUXXUFMTXENA-UHFFFAOYSA-N 419.506 3.049 0 40 HGAB NC(=O)c1c(NC(=O)c2ccccc2I)sc2c1CCC2 6884495 KGQYGDVYHAZGAH-UHFFFAOYSA-N 412.252 3.193 0 40 HGAB Cc1cc(=O)c(C(=O)NCc2ccc(CN3CCCC3)cc2)nn1-c1ccccc1 7437369 OCYATBFVSLANIY-UHFFFAOYSA-N 402.498 3.067 0 40 HGAB CC[C@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)C1=O 7989046 IOSWYTZZACAJLH-NLOUDPMVSA-N 405.926 3.438 0 40 HGAB O=C(N[C@@H]1CCCc2ccccc21)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 8077906 BJSMMTZNLNMROV-DYESRHJHSA-N 416.518 3.420 0 40 HGAB O=C(Cn1nnc(-c2cccs2)n1)N1CCC(c2nc3ccccc3s2)CC1 8342823 PBMGAWCKKLQRPD-UHFFFAOYSA-N 410.528 3.418 0 40 HGAB COC(=O)c1cccc(NC(=O)CCCN(c2ccc(C)cc2)S(C)(=O)=O)c1C 8479101 AKQTXBNBAWCXEK-UHFFFAOYSA-N 418.515 3.275 0 40 HGAB COc1ccc(NC(=O)CCCNS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1 8709222 BPFCKNBUYSRNST-UHFFFAOYSA-N 416.421 3.411 0 40 HGAB COc1ccc([C@H]2c3c(oc4c(C)cc(C)cc4c3=O)C(=O)N2CCCO)cc1OC 8917327 LACVWLYZXCKHTL-FQEVSTJZSA-N 423.465 3.355 0 40 HGAB Cc1nc2c(=O)n(CC(=O)NCCc3ccccc3)nc(-c3ccc(F)cc3)c2s1 8955527 XXDZFYAVPPEISE-UHFFFAOYSA-N 422.485 3.326 0 40 HGAB COc1ccc(OC)c(S(=O)(=O)Nc2ccc3c(c2)CN(C(=O)C(C)C)CC3)c1 8977050 DBSFYALDNQASSD-UHFFFAOYSA-N 418.515 3.045 0 40 HGAB COc1ccc(Cl)cc1NC(=O)CN(C)[C@@H](C)C(=O)N[C@@H](C)c1ccccc1 9053544 SIWHCPCUCBFTGA-GJZGRUSLSA-N 403.910 3.485 0 40 HGAB CC1CCN(C(=O)[C@@H](C)OC(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)CC1 9182881 YODUYALJRHFRRT-SJLPKXTDSA-N 420.937 3.382 0 40 HGAB C[C@@H](OC(=O)c1cc(-c2ccc(Br)cc2)[nH]n1)C(=O)NC1CCCC1 9367151 HUEZTLANNKAPIL-LLVKDONJSA-N 406.280 3.443 0 40 HGAB COc1cccc(C(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C2)c1 9590763 CPEBUOGXZPXARO-HNNXBMFYSA-N 401.846 3.436 0 40 HGAB CCCS(=O)(=O)N1CCCc2cc(NC(=O)COc3ccccc3F)ccc21 11025639 DDHBPCDSNLAPKB-UHFFFAOYSA-N 406.479 3.336 0 40 HGAB COc1cccc(NC(=O)CSc2ncnc3c2nnn3Cc2ccc(F)cc2)c1 11758479 KAGKLTNTEAPGOC-UHFFFAOYSA-N 424.461 3.148 0 40 HGAB CCOc1ccc([C@H](O)CN2CCC(NC(C)=O)(c3ccccc3F)CC2)cc1 12188362 BHJHNOONGXMODX-JOCHJYFZSA-N 400.494 3.385 0 40 HGAB COC(=O)c1cc(CNC(=O)c2c[nH]c(=S)n2-c2ccc(F)cc2)ccc1OC 12561774 RRHSHOSVDDCOLS-UHFFFAOYSA-N 415.446 3.399 0 40 HGAB O=C(CNC(=O)COc1ccccc1)NCc1ccc(Oc2ccc(F)cc2)cc1 12625456 JUQGCEYENYTLIJ-UHFFFAOYSA-N 408.429 3.429 0 40 HGAB Cc1nc(C)c2c(C)c(C(=O)NC[C@@H](c3cccs3)N3CCOCC3)sc2n1 12798673 HKSKBHZEBGRRQJ-HNNXBMFYSA-N 416.572 3.481 0 40 HGAB COc1ccc([C@H](CNC(=O)c2cccc3c2O[C@H](C)[C@@H]3C)N2CCOCC2)cc1 12896256 ASOAMRLFVVVEDX-JKSBSHDWSA-N 410.514 3.383 0 40 HGAB CN(Cc1ccsc1)C(=O)NCc1ccccc1S(=O)(=O)N1CCCCC1 12972902 SDANSIFLRBLTNI-UHFFFAOYSA-N 407.561 3.264 0 40 HGAB CC(=O)c1c(C)[nH]c(C(=O)N2C[C@H](C(=O)N3CCCCC3)Oc3ccccc32)c1C 12975426 DVMDQYUTTZJAJP-LJQANCHMSA-N 409.486 3.254 0 40 HGAB CC1=C(C(=O)Nc2ccccn2)[C@@H](c2ccc(Br)cc2)n2ncnc2N1 13123691 YKNPFMFODMNHTH-MRXNPFEDSA-N 411.263 3.363 0 40 HGAB CC(C)c1nn(CC(=O)N2CCc3ccccc32)c(=O)c2c1cnn2-c1ccccc1 13971225 WWERGFMKEZIVSK-UHFFFAOYSA-N 413.481 3.295 0 40 HGAB O=C(N[C@H](CC(=O)N1CCN(c2ccccn2)CC1)c1ccccc1)c1ccccc1 14246444 HLFDGXDTNXLKOK-JOCHJYFZSA-N 414.509 3.292 0 40 HGAB CCNC(=O)CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(Cl)cc1 14353482 DTBNXSFTUQJPDR-UHFFFAOYSA-N 401.315 3.320 0 40 HGAB COc1ccc(S(=O)(=O)NCCc2ccccc2)cc1C(=O)N1CCC(C)CC1 14399155 GKUIKGOXJNIZSI-UHFFFAOYSA-N 416.543 3.088 0 40 HGAB Cc1nc(-c2ccc(CCNC(=O)c3nn(C)c(=O)c4ccccc34)cc2)cs1 14673416 JBOCZGQGHXDNAA-UHFFFAOYSA-N 404.495 3.338 0 40 HGAB O=C(CN1C(=O)S/C(=C\c2cc(Cl)c(O)c(Cl)c2)C1=O)N1CCCC1 15228956 OKRNSEWULQHHQZ-GHXNOFRVSA-N 401.271 3.358 0 40 HGAB O=C(N/C(=C\c1ccc(Br)cc1)C(=O)N1CCOCC1)c1ccccc1 15775538 FDYTYHFJAKNIBE-JXAWBTAJSA-N 415.287 3.079 0 40 HGAB O=C(Nc1ccc2c(c1)OCO2)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl 16018688 CWXHDOKWYBBBSS-UHFFFAOYSA-N 422.890 3.496 0 40 HGAB COc1cccc(/C=c2\sc3nc(/C=C/c4ccc(C)cc4)nn3c2=O)c1OC 16750613 CFNZARHXASTLTQ-FEYWXZCKSA-N 405.479 3.195 0 40 HGAB Cn1nnc(NC(=S)NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)n1 17093447 NVWCECQQOXQOIU-QPJJXVBHSA-N 423.285 3.303 0 40 HGAB COCC(=O)N1CCC[C@@](Cc2ccccc2-c2ccncc2)(C(=O)NC(C)C)C1 19448815 HYLKTLHESXWTPE-DEOSSOPVSA-N 409.530 3.071 0 40 HGAB CC1=NN(c2cccc(NC(=O)C3CCN(CCc4ccccn4)CC3)c2)C(=O)C1 19461971 BLEGJJSVTBHVES-UHFFFAOYSA-N 405.502 3.087 0 40 HGAB COc1ccc(CN2CCC[C@@H](c3cc(=O)[nH]c(-c4cnccn4)n3)C2)c(C)c1C 19577365 ZXEZXIJEEGIYCL-GOSISDBHSA-N 405.502 3.232 0 40 HGAB CN1CCN(C(=O)[C@H]2CCCO2)C[C@@H](Cc2ccccc2-c2cccc(F)c2)C1=O 19589582 OOOTXAJAUPRVEK-DENIHFKCSA-N 410.489 3.131 0 40 HGAB CNc1cc([C@H]2CCCNC2)nc(CN(C)C(=O)CCCc2ccc(F)c(C)c2)n1 19709958 BHMWFKXUQKLRDL-SFHVURJKSA-N 413.541 3.414 0 40 HGAB CN(CCO)C(=O)c1cc([C@H]2CN(Cc3ccc(F)cc3)CCO2)nc2ccccc12 19754431 KFZYPXOLXDFOPY-HSZRJFAPSA-N 423.488 3.012 0 40 HGAB COc1ccc([C@H]2CC(=O)c3cnc4c(c3C2)c(=O)[nH]c(=O)n4CCC(C)C)cc1 19821191 ASNWJUMTAREOQB-OAHLLOKOSA-N 407.470 3.052 0 40 HGAB CCN(c1ccc(OCC(=O)N[C@@H](C)c2ccc(SC)cc2)cc1)S(C)(=O)=O 20030552 CJDKLTJTEBIVBH-HNNXBMFYSA-N 422.572 3.451 0 40 HGAB CC[C@H](NC(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O)c1ccc(OC)cc1 20493692 BZKUPZMOSHCDNJ-IBGZPJMESA-N 404.532 3.346 0 40 HGAB Cc1ccc(S(=O)(=O)NCCC(=O)O[C@H](C)C(=O)c2ccc(Cl)cc2)cc1 22036919 IMBQTYOAGBOFAW-CQSZACIVSA-N 409.891 3.131 0 40 HGAB CN(c1ccc(-c2csc(NC(=O)CCc3ccco3)n2)cc1)S(C)(=O)=O 23268758 YLZHCLWHPGNAKM-UHFFFAOYSA-N 405.501 3.370 0 40 HGAB COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(N3CCCC3=O)c(C)c2)c1 26536651 LKGBRKKBBNUDGF-UHFFFAOYSA-N 422.890 3.363 0 40 HGAB O=C(CSc1nc(Cc2ccc(Cl)cc2)[nH]c(=O)n1)Nc1ccc(F)cc1 27643426 SPTHJJZTNCKXKC-UHFFFAOYSA-N 404.854 3.279 0 40 HGAB c1ccc2sc(-c3ccc(CNC[C@@H]([C@@H]4CCOC4)N4CCOCC4)o3)nc2c1 30666080 BRLLBEUFWOPHSD-APWZRJJASA-N 413.543 3.383 0 40 HGAB O=C(N[C@@H](c1cccs1)C1CCCC1)c1ccc(S(=O)(=O)N2CCOCC2)o1 32398018 AXCWYGXREMQPQW-GOSISDBHSA-N 424.544 3.023 0 40 HGAB C[C@H](OC(=O)c1cc(-c2ccc3c(c2)OCCO3)nc2ccccc12)C(=O)NC1CC1 32666162 KPNVHLUDRNWHQE-AWEZNQCLSA-N 418.449 3.497 0 40 HGAB Nc1nc(COC(=O)C2C[C@@H]3CCC[C@H](C2)C3=O)nc(Nc2ccc(Cl)cc2)n1 32854370 QNXTZSUKCALFOK-FUNVUKJBSA-N 415.881 3.289 0 40 HGAB CCC[C@@H](C)NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCCC1 32962420 SHCGUXAQPIGTBV-QGZVFWFLSA-N 407.580 3.380 0 40 HGAB C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCCCn1ccc2ccccc21 33028416 QENHLCDWHRKDTC-OAHLLOKOSA-N 419.934 3.168 0 40 HGAB O=C(c1ccc(F)cc1)[C@@H]1[C@@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@@H]2[C@H]2CCCN12 35876926 TVDYMEYMPBZKCE-MKXGPGLRSA-N 412.848 3.314 0 40 HGAB CC1CCN(CCCNC(=O)c2ccccc2NS(=O)(=O)c2ccccc2)CC1 37020853 VQUGQBVGCWTYKB-UHFFFAOYSA-N 415.559 3.339 0 40 HGAB COc1ccc(-c2ccc(=O)n(CC(=O)N[C@H](C)CCc3ccccc3)n2)c(F)c1 44901031 RHWXICKBKMOESE-MRXNPFEDSA-N 409.461 3.196 0 40 HGAB COC(=O)CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc(C(C)(C)C)cc1 46086682 FOKDUBXGOGPURB-HXUWFJFHSA-N 410.514 3.005 0 40 HGAB O=S(=O)(/N=C(\O)Cc1ccc(Br)cc1)c1cccc2nsnc12 48638986 UZDAUPPUGREWCI-UHFFFAOYSA-N 412.290 3.342 0 40 HGAB COc1ccc(N[C@@H](C)C(=O)N2CCN(c3ccccc3)CC2)cc1OC(F)F 55685058 HXFJAMPXROVQHX-HNNXBMFYSA-N 405.445 3.446 0 40 HGAB CC(C)c1ccc(-n2ncc3c(=O)n(CC(=O)Nc4cccc(F)c4)cnc32)cc1 57486506 VRIAYJKWKAZARG-UHFFFAOYSA-N 405.433 3.483 0 40 HGAB Cc1ccc(CNC(=O)Cn2cc(-c3ccccc3)c(N3CCOCC3)n2)cc1C 62006881 KZUAQQDNCGSQND-UHFFFAOYSA-N 404.514 3.320 0 40 HGAB O=C(CSc1ccc(F)c(F)c1)N[C@@H]1CC(=O)N([C@@H]2C[C@H]2c2ccccc2)C1 72303282 GJXSLVIYNBDVTB-SIXWZSSISA-N 402.466 3.330 0 40 HGAB CCN(CC)CCN(CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)CC(C)C 72313450 QKZYXXZOVKZQCP-UHFFFAOYSA-N 416.610 3.164 0 40 HGAB C[C@H](Cc1ccccc1F)C(=O)Nc1ccc2[nH]c(CCN3CCOCC3)nc2c1 78825122 FEZZLICWDVZVQH-MRXNPFEDSA-N 410.493 3.394 0 40 HGAB C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1CNC(=O)Nc1nnc(C2CC2)s1 78954140 AWYALKQWMMIZDG-JQWIXIFHSA-N 411.528 3.298 0 40 HGAB Cc1c(C(=O)N2CCC[C@H](c3nc[nH]n3)C2)cnn1-c1cccc(C(F)(F)F)c1 79016148 FJIDMWYETYFPBY-ZDUSSCGKSA-N 404.396 3.337 0 40 HGAB Cn1c(=O)[nH]c2ncc(-c3cccc(C(=O)NC4(c5ccc(F)cc5)CC4)c3)cc21 95945834 XRBMDUPPOCICKD-UHFFFAOYSA-N 402.429 3.487 0 40 HGAB COc1ccc(CNC(=O)N2CC[C@H](S(=O)(=O)c3ccc(Cl)cc3)C2)cc1 96103496 VONDJJPQAQBMON-SFHVURJKSA-N 408.907 3.106 0 40 HGAB COc1ccc([C@@H]2SCC(=O)Nc3c2c(O)nn3C2CCSCC2)cc1OC 96116699 YSUKAXRDIXLYJY-KRWDZBQOSA-N 421.544 3.449 0 40 HGAB CCOc1cc(C)c(/C=C2\SC(=O)N(CC(=O)N3CCCC3)C2=O)cc1OCC 96295691 ZNGGRHPRNIUPPW-PDGQHHTCSA-N 418.515 3.451 0 40 HGAB CCN(CC)CCC[C@@H](C)NC(=O)c1cc2c(=O)n3cccc(C)c3nc2s1 96347307 FKLHYZVMQZYCSV-OAHLLOKOSA-N 400.548 3.458 0 40 HGAB Cc1ccccc1N1C(=O)C[C@@H](c2c(C)nn(-c3nc4ccccc4o3)c2O)C1=O 101983815 YCBZXBTZHAFZTG-AWEZNQCLSA-N 402.410 3.383 0 40 HGAB Cc1cc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)Nc3cccc5ccccc35)[C@H]4C2=O)no1 106022107 AXKDXJQYOWITQX-XDTJVVMOSA-N 401.422 3.061 0 40 HGAB C[C@@H]1CN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2ccc(Cl)cc2)C[C@@H](C)O1 107078973 SZCCXEXIHXCIBJ-QINHECLXSA-N 400.906 3.317 0 40 HGAB COC(=O)c1c(NC(=O)CN2CC[C@@H](CN3CCCC3)C2)sc2c1CC[C@H](C)C2 107583415 KZAWAGDFWRAJQK-HOTGVXAUSA-N 419.591 3.016 0 40 HGAB O=C(NCCSCc1ccco1)c1ccc(CS(=O)(=O)N2CCCCC2)cc1 216252324 VRXGYQCMAPDYAB-UHFFFAOYSA-N 422.572 3.259 0 40 HGAB CCOc1ccc(CCCNC(=O)[C@H](C)N(c2cccc(C)c2)S(C)(=O)=O)cc1 220148911 ILHPGZZRHPXIHK-SFHVURJKSA-N 418.559 3.297 0 40 HGAB CN(C)c1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)cc1 223625341 WUKFGCFRORPLFZ-FCHUYYIVSA-N 421.570 3.293 0 40 HGAB CC(C)Oc1ccc(N(CC(=O)NC(C)(C)Cc2ccccc2)S(C)(=O)=O)cc1 224195798 JUIBKKLWZKLEMU-UHFFFAOYSA-N 418.559 3.377 0 40 HGAB Cc1ccc(C(=O)Nc2ccccc2C(N)=O)cc1N(C)S(=O)(=O)c1ccccc1 224300394 LZDVDPNEBPAVOS-UHFFFAOYSA-N 423.494 3.171 0 40 HGAB COC(=O)[C@@H]1CN(C(=O)c2cccc(Nc3nc(C)cc(C)n3)c2)c2ccccc2O1 225914608 GEIJZZSWNPQVFW-FQEVSTJZSA-N 418.453 3.418 0 40 HGAB COc1cccc(OC)c1CN1CCC(c2cncc(Nc3cnccn3)n2)CC1 257274990 NNMZEIBLPOBTJM-UHFFFAOYSA-N 406.490 3.407 0 40 HGAB COc1ccc(CCC(=O)N2CC[C@@H](c3ncncc3-c3ccnc(N)c3)C2)cc1 257322082 WENRSAZUOXHECE-GOSISDBHSA-N 403.486 3.078 0 40 HGAB O=C(c1c[nH]nc1[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1)N1CCCCCC1 257340028 ZEEVEFVBRITJGW-SFHVURJKSA-N 420.510 3.091 0 40 HGAB COc1ccc(CNC(=O)c2ccccc2NC(=O)C(=O)N[C@@H]2CCCC[C@H]2C)cc1 408709517 CFSWJIHUBRBPTA-OXQOHEQNSA-N 423.513 3.259 0 40 HGAB Cc1c(Cl)cccc1N(CC(=O)NCCSCc1ccco1)S(C)(=O)=O 408921995 DDWIVALWAOXMOA-UHFFFAOYSA-N 416.952 3.057 0 40 HGAB COc1ccc(-c2nc(NC(=O)CSc3nc(O)cc(O)n3)sc2C)cc1 409411764 LACXQEDRVZEZOS-UHFFFAOYSA-N 404.473 3.059 0 40 HGAB Cn1nc(C(=O)Nc2cccc(OCCN3CCCCC3)c2)c2ccccc2c1=O 524733466 TWMNTOKPJGCQCR-UHFFFAOYSA-N 406.486 3.051 0 40 HGAB C[C@@H](CCc1n[nH]c2ccccc12)NCc1cccc(CN2CCC[C@@H](C(N)=O)C2)c1 543013621 DUXPEFOKKPLFDG-GHTZIAJQSA-N 419.573 3.371 0 40 HGAB O=S(=O)(NCC[C@H](CCO)c1ccsc1)c1ccc(Br)s1 575608290 SBCGIOYKYQCLIO-SNVBAGLBSA-N 410.380 3.407 0 40 HGAB Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(c3ccc(C4CC4)nn3)CC2)c1C 575621619 ZTDJTMQQPXTSBW-UHFFFAOYSA-N 400.548 3.099 0 40 HGAB COc1cc(F)ccc1C(=O)N1CCc2ncc(-c3ccc(NC(C)=O)cc3)n2CC1 585111333 OWGMQXSEGFAKHB-UHFFFAOYSA-N 422.460 3.355 0 40 HGAB Cc1nc(/C=C/C(=O)N2CCC[C@@H](c3csc(Nc4cnccn4)n3)C2)cs1 585290570 CSUPEOVORKYZNS-ISZGNANSSA-N 412.544 3.861 0 40 HGAB O=C(CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]12)NC[C@@H]1C[C@H]2C=C[C@H]1C2 604418900 SVCIPIHHLHRWRI-DSFVOBFGSA-N 413.477 3.130 0 40 HGAB Cc1ccc(C2(C(=O)NCc3cc(F)ccc3N3CCOCC3)CCOCC2)cc1 607082239 IILBSTGOHGFFTC-UHFFFAOYSA-N 412.505 3.335 0 40 HGAB COCC(=O)N1CCCCCCCNCc2cc(C(=O)NCc3ccncc3)ccc21 643584140 GIUBLUXMSTZGHU-UHFFFAOYSA-N 424.545 3.045 0 40 HGAB O=C(Nc1cccc(F)c1)c1cnn2c1CN(C(=O)c1cccc(Cl)n1)CCC2 1565556010 UCEKXMJLFYOTDA-UHFFFAOYSA-N 413.840 3.369 0 40 HGAB COCCCN1CN(S(=O)(=O)c2cccc(Cl)c2)c2nc3ccccc3nc21 2199428 BMQJMEFVJBTLMX-UHFFFAOYSA-N 418.906 3.293 0 40 HGAB CCOc1ccc([C@H]2C(C(=O)OC)=C(C)N=C3S[C@H](C)C(=O)N32)cc1OCC 2503540 SCFDTKCXLPJMJR-PXAZEXFGSA-N 404.488 3.306 0 40 HGAB Cc1cc(C)n2nc(C(=O)OCCCC(=O)c3ccc(Br)cc3)nc2n1 3291838 BUOPFVCMECLBFY-UHFFFAOYSA-N 417.263 3.324 0 40 HGAB O=C(C1CCN(S(=O)(=O)c2ccccc2)CC1)N1CC=C(c2ccccc2)CC1 3406705 VFOKQNPYRPMOTC-UHFFFAOYSA-N 410.539 3.403 0 40 HGAB COc1cc(C(=O)O[C@H](C)C(=O)NC2CCCC2)ccc1OCc1c(C)noc1C 3523308 RHHVJSLKLNHNBV-OAHLLOKOSA-N 416.474 3.483 0 40 HGAB O=C(c1ccc(Cl)cc1)[C@@H]1[C@@H]2C(=O)[C@H]3OC[C@H](O3)[C@@H]2[C@H]2C=Cc3ccccc3N12 3999616 FOFMYMLNDIOPSY-GFQYKCBFSA-N 407.853 3.364 0 40 HGAB biogenic CCNC(=S)N(Cc1cccs1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 4160519 JIXOUSLYSPAIQS-UHFFFAOYSA-N 415.540 3.257 0 40 HGAB CC(C)c1ccc(OCC(=O)N(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)cc1 4183507 KRHOVEUPNKZUMH-KRWDZBQOSA-N 407.557 3.466 0 40 HGAB CCOC(=O)c1sc(NC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)nc1C 4731881 DKQOGEPJBARJOP-LLVKDONJSA-N 407.879 3.273 0 40 HGAB C[C@H](CCc1ccccc1)NC(=O)Cn1nnc(-c2cccc(C(F)(F)F)c2)n1 4932778 RAVQGSSDFODPRF-CQSZACIVSA-N 403.408 3.496 0 40 HGAB C[C@@H]1CCCN(C(=O)C(=O)Nc2c3c(nn2-c2ccc(Cl)cc2)CSC3)C1 4941777 NUHOIFXPOOKQHR-GFCCVEGCSA-N 404.923 3.470 0 40 HGAB COc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccc(Br)cc3)n2)cc1 5388871 PSNXKPJDQGZNMU-UHFFFAOYSA-N 414.259 3.320 0 40 HGAB COc1ccc(COC(=O)[C@H]2CS[C@]3(c4ccccc4)CCC(=O)N23)cc1F 6450434 UTVADMXXLGRNCX-UTKZUKDTSA-N 401.459 3.468 0 40 HGAB O=C([C@H]1CC(=O)N(c2ccc(Cl)cc2)C1)N1CCN(c2ccccc2F)CC1 7452479 DNEYBSWYQAOWHA-HNNXBMFYSA-N 401.869 3.181 0 40 HGAB COC(=O)c1ccc(OC(=O)[C@@H]2CC(=O)N(c3cc(Cl)ccc3OC)C2)cc1 7928755 PJALQHYGUCVLJN-CYBMUJFWSA-N 403.818 3.094 0 40 HGAB CN(CC(=O)NCC(=O)Nc1ccc(F)c(F)c1F)[C@H]1CCCc2ccccc21 7988708 HCVGNTXMOZHHAD-KRWDZBQOSA-N 405.420 3.168 0 40 HGAB CCCN(Cc1nnc(-c2cccs2)o1)C(=O)CSc1nnc2ccccn12 8279902 SKMIKPUIXHBJDD-UHFFFAOYSA-N 414.516 3.372 0 40 HGAB Cc1sc2nc(/C(=C\c3ccc(C(=O)O)cc3)C(=O)N3CCCC3)[nH]c(=O)c2c1C 8745063 KJMUZHCZSVGSHZ-LFIBNONCSA-N 423.494 3.463 0 40 HGAB O=C(CSc1ncccc1C(=O)Nc1cccnc1)Nc1ccc2c(c1)OCO2 9117957 WGLCBRMBRVDMOB-UHFFFAOYSA-N 408.439 3.188 0 40 HGAB CCC(=O)N1C(=O)[C@@]2(CC(c3ccc(OC)cc3)=NN2C(=O)CC)c2ccccc21 9303013 FYTZOXIOEJXTTJ-HSZRJFAPSA-N 405.454 3.220 0 40 HGAB COc1ccc(OC)c(NC(=O)CN(C)CCOc2ccc(Br)cc2)c1 9640974 KAOGLLIBDABGQM-UHFFFAOYSA-N 423.307 3.416 0 40 HGAB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)CCCNC(=O)c1ccsc1 10904563 GXTGAVCBOANFBY-UHFFFAOYSA-N 410.543 3.436 0 40 HGAB O=C(c1ccc2c(c1)OCCO2)N1CCC(n2nc(-c3cccs3)ccc2=O)CC1 12158077 XHAJWMYFTGYNFY-UHFFFAOYSA-N 423.494 3.220 0 40 HGAB Cc1cc(OCC(=O)N2CCC[C@H](c3noc(-c4cnccn4)n3)C2)ccc1Cl 12187681 RIOBYZFSGXAPMF-AWEZNQCLSA-N 413.865 3.273 0 40 HGAB Cc1cc(C)n(CCCC(=O)N[C@@H](Cc2cccs2)c2nccs2)c(=O)n1 12226102 ADIVLIJMSKPFSP-INIZCTEOSA-N 402.545 3.259 0 40 HGAB in-vitro NC(=O)c1ccc(NC(=O)CCCn2nc(-c3ccc(Cl)cc3)ccc2=O)cc1 12440910 DEINDUUETPGSMD-UHFFFAOYSA-N 410.861 3.082 0 40 HGAB CNS(=O)(=O)c1ccc(CCC(=O)Nc2nc(-c3ccccc3)cs2)cc1 12752450 TYAYVLNAIUXQCD-UHFFFAOYSA-N 401.513 3.290 0 40 HGAB CC(C)CCC[C@@H](C)NC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c1 12755063 MUYIHJHDVDZVBS-KURKYZTESA-N 410.580 3.429 0 40 HGAB COc1cc(NC(=O)c2ccc(CN3C(=O)CCC3=O)cc2)c(OC)cc1Cl 12760867 IYUDXWPOKUBPOI-UHFFFAOYSA-N 402.834 3.259 0 40 HGAB COc1ccc(OC)c(/C=C/C(=O)N2CCC(C(=O)NCc3ccccc3)CC2)c1 12808854 GUIDLQGHGWSTJY-DHZHZOJOSA-N 408.498 3.272 0 40 HGAB Cc1cccc(C(=O)N2CCN(S(=O)(=O)c3c(C)c(C)c(C)c(C)c3C)CC2)n1 12909488 CSICUMIAXYMCCX-UHFFFAOYSA-N 415.559 3.079 0 40 HGAB CN(C)S(=O)(=O)c1ccccc1CNC(=O)c1ccc(-c2ccc(F)cc2)o1 12973491 RCTKPYCLOGYYLH-UHFFFAOYSA-N 402.447 3.266 0 40 HGAB CC[C@]1(c2ccc(OC)cc2)NC(=O)N(Cc2nc(-c3ccccc3OC)no2)C1=O 12975618 HGHWQKUZFLKFNC-JOCHJYFZSA-N 422.441 3.111 0 40 HGAB CCCCNC(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(F)cc1 14155141 YSKRIIASBNMCFK-UHFFFAOYSA-N 408.495 3.336 0 40 HGAB C[C@H](SCc1cccc(S(=O)(=O)N(C)C)c1)C(=O)Nc1c(F)cccc1F 14249684 LJTKUJGMXGXYJQ-LBPRGKRZSA-N 414.499 3.476 0 40 HGAB COc1ccc(-c2noc([C@@H]3C[C@@H](O)CN3Cc3ccc(NC(C)=O)cc3)n2)cc1 15674714 IQAZUAFDGSQWQW-QUCCMNQESA-N 408.458 3.012 0 40 HGAB biogenic,in-vitro O=C(NCc1ccccn1)C1CCN(c2ncnc3c2sc2ncccc23)CC1 16842204 IHDASSIELCYPTB-UHFFFAOYSA-N 404.499 3.167 0 40 HGAB COc1ccc(CN(C)CC(=O)N2CCc3[nH]cnc3[C@H]2c2ccc(OC)cc2)cc1 19586421 MROXQMOXALKLGA-XMMPIXPASA-N 420.513 3.033 0 40 HGAB CNC(=O)[C@]1(Cc2cc(-c3ccccc3)no2)CCN(C(=O)CCc2ccccc2)C1 19703411 DXUZFIWQVAOOBN-VWLOTQADSA-N 417.509 3.482 0 40 HGAB CCN(CC(=O)Nc1ccccc1SC)S(=O)(=O)c1ccc(OC)c(C)c1 19929882 KSORBGOUIJSZFO-UHFFFAOYSA-N 408.545 3.375 0 40 HGAB COc1ccc(C(=O)NC(=S)Nc2ccc(CC(=O)O)cc2)cc1Br 20152944 WNZATJXUAWROAL-UHFFFAOYSA-N 423.288 3.212 0 40 HGAB Cc1cc(=O)oc2c(C)c(OCC(=O)N3CCN(Cc4ccccc4)CC3)ccc12 20412122 MNMLHCFDRBZKPZ-UHFFFAOYSA-N 406.482 3.133 0 40 HGAB COc1ccc(S(=O)(=O)Nc2ccc(OC(C)C)cc2)cc1N1CCCC1=O 20452783 YTSBWZBFZMLMLA-UHFFFAOYSA-N 404.488 3.410 0 40 HGAB CCOc1ccccc1CNC(=O)[C@H](C)N(c1cc(C)ccc1C)S(C)(=O)=O 20458202 UZWKYZFBJUGVNX-KRWDZBQOSA-N 404.532 3.173 0 40 HGAB Cc1ccc(S(=O)(=O)NC[C@H](c2cccn2C)N2CCc3ccccc3C2)s1 21153724 ZRVKLJDMDIDDMJ-HXUWFJFHSA-N 415.584 3.473 0 40 HGAB CCCn1nc(C(=O)OCc2csc(N(C(C)=O)c3ccccc3)n2)ccc1=O 23635957 SPRCZFGVHKIMMN-UHFFFAOYSA-N 412.471 3.151 0 40 HGAB O=C1CCCN1Cc1cccc(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)c1 24573302 QNONCIJSOFOOTK-BJMVGYQFSA-N 403.526 3.280 0 40 HGAB COc1cc(NC(=O)Cc2coc(-c3ccccc3)n2)c(C(=O)N(C)C)cc1OC 25219359 CDIQXYCQXAEKGJ-UHFFFAOYSA-N 409.442 3.242 0 40 HGAB CC(C)CCN1C(=O)c2ccc(C(=O)Nc3ccc(Cn4cncn4)cc3)cc2C1=O 32102672 QHRZAFXSFVOKMS-UHFFFAOYSA-N 417.469 3.221 0 40 HGAB COC(=O)C[C@@H](NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1)c1cccs1 32453840 BLLFOINCQGGTLO-FUHWJXTLSA-N 412.511 3.010 0 40 HGAB CCOCCCNc1nnc(SCC(=O)N[C@H](C)c2ccc3c(c2)OCO3)s1 32777432 QSCAVKNMAJJBAC-GFCCVEGCSA-N 424.548 3.075 0 40 HGAB CCCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(S(=O)(=O)NC)o1 32940864 QMZPRVMZUDRNPR-UHFFFAOYSA-N 406.382 3.248 0 40 HGAB COc1c(C(=O)N2CCCC2)cn(C)c1-c1nc2cc(NC(=O)C3CC3)ccc2n1C 36369899 LGNFQEXEWVDCSS-UHFFFAOYSA-N 421.501 3.172 0 40 HGAB biogenic O=S(=O)(c1ccc2c(c1)OCCCO2)N1CCn2cccc2[C@@H]1c1ccccc1 40059735 DNVSVUKBCSIZOF-QFIPXVFZSA-N 410.495 3.443 0 40 HGAB COc1cccc(CN(C)C(=O)c2cn(-c3ccccc3Br)nn2)c1 40073600 CGJSMLYADXOAAO-UHFFFAOYSA-N 401.264 3.311 0 40 HGAB Cc1cc(N2CCN(C(=O)Nc3cccc(-c4nnco4)c3)CC2)nc(C(C)C)n1 44086321 USESLEXYQBTPCA-UHFFFAOYSA-N 407.478 3.313 0 40 HGAB CCOC(=O)c1ccn(-c2cccc(NC(=O)c3[nH]c(C)c(C(=O)OC)c3C)c2)n1 48308724 OXILGICFELTJQU-UHFFFAOYSA-N 410.430 3.033 0 40 HGAB CC[C@]1(C)NC(=O)N(CC(=O)N[C@@H](Cc2ccc(Cl)cc2)c2ccccc2)C1=O 48332371 JTMNSNAYUHHWKR-AVRDEDQJSA-N 413.905 3.461 0 40 HGAB O=C(NC(=S)Nc1cccnc1Cl)c1cccc(I)c1 57315922 XWVDVUNSBPAYLS-UHFFFAOYSA-N 417.659 3.466 0 40 HGAB COc1cccc(Cn2c(SCC(=O)NC(C)C)nc3ccsc3c2=O)c1 57426176 XANYUPJDQQYNII-UHFFFAOYSA-N 403.529 3.132 0 40 HGAB COc1ccc(C2(C(=O)NCCCN(C(C)C)S(C)(=O)=O)CCCCC2)cc1 58009905 BGACKBUDVYDLKK-UHFFFAOYSA-N 410.580 3.073 0 40 HGAB CCN1CCN(c2ccc(NC(=O)NCCOc3cccc(OC)c3)cc2C)CC1 58065315 IHRIEVZWXFSRCJ-UHFFFAOYSA-N 412.534 3.346 0 40 HGAB COc1cccc(-c2cn(CC(=O)NCc3ccc(C)cc3)nc2N2CCOCC2)c1 62006954 UVTVFCWUTVVTSS-UHFFFAOYSA-N 420.513 3.020 0 40 HGAB O=C(CCc1nc(-c2cc3ccccc3[nH]c2=O)no1)NCc1ccc(Cl)cc1 64790049 DMZAEPMIRPBOCD-UHFFFAOYSA-N 408.845 3.481 0 40 HGAB CN(C)C[C@H](CNC(=O)Nc1cc2c(cc1Cl)OCCO2)[C@@H](O)c1ccccc1 65479325 BPDDWYHHXDCHAE-YWZLYKJASA-N 419.909 3.144 0 40 HGAB COc1cc(/N=c2\oc3cc(O)ccc3cc2C(=O)NC[C@@H]2CCCO2)cc(OC)c1 67298520 YLTYGFLOIRAMIR-KZIRDTCISA-N 424.453 3.297 0 40 HGAB O=S(=O)(Nc1nc(CN2CCCCCC2)cs1)c1ccc2c(c1)OCCCO2 72296321 KKWXUSPHGRGFGM-UHFFFAOYSA-N 423.560 3.481 0 40 HGAB CCN(CC)Cc1cc(C(=O)N2C[C@H]3CC[C@]4(NC(=O)c5ccccc5N4)[C@H]3C2)co1 72326896 COBMTHOSWOTNGV-NKNQFRNOSA-N 422.529 3.155 0 40 HGAB O=c1[nH]c(N(Cc2cccs2)C[C@H]2CCCO2)nc2c1cnn2-c1ccccc1 79109113 NNGMWGGXCRGIPC-MRXNPFEDSA-N 407.499 3.356 0 40 HGAB CN(Cc1nc(C(F)(F)F)no1)C(=O)c1cnc2c(cnn2Cc2ccccc2)c1 89364882 NFZQZFXJONPSHW-UHFFFAOYSA-N 416.363 3.154 0 40 HGAB O=C(O)[C@H]1CCCN(C(=O)c2nn(-c3cccc(C(F)(F)F)c3)c3c2CCC3)C1 95969480 SNLMVYULKUBDSS-LBPRGKRZSA-N 407.392 3.317 0 40 HGAB COc1ccc(C(=O)CNC(=O)CCc2cc3c(C)cc(=O)oc3cc2OC)cc1 96113855 ROAIOAPMOXDIDR-UHFFFAOYSA-N 409.438 3.050 0 40 HGAB biogenic COc1ccc([C@@H]2SCC(=O)Nc3c2c(O)nn3C2CCSCC2)c(OC)c1 96116851 CYWMRHFBEPNAGO-KRWDZBQOSA-N 421.544 3.449 0 40 HGAB C[C@H](C1CC1)N(Cc1ccccc1)C(=O)CN1C(=O)C[C@@H](c2ccccc2F)C1=O 101444905 FKIKTWJYDLGXKR-UZLBHIALSA-N 408.473 3.496 0 40 HGAB CCOC(=O)[C@@]1(CN)[C@H](c2ccc(CC)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218639163 DJLLEEVARYHFGM-DYXWJJEUSA-N 421.946 3.350 0 40 HGAB CC[C@@H](C(=O)N1CCc2ccccc21)N(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 220751408 GJNMGZUNTDSJMI-KRWDZBQOSA-N 422.934 3.483 0 40 HGAB COc1ccc(C)cc1S(=O)(=O)N1CCC[C@@H](C(=O)N(C)c2ccc(F)cc2)C1 222549977 RYPDFMKJEVSDDQ-MRXNPFEDSA-N 420.506 3.206 0 40 HGAB COC(=O)CSc1nnc(NC(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)s1 222728669 USNQAAJSTOMGSJ-SECBINFHSA-N 401.897 3.171 0 40 HGAB Cc1ccc(N(C)C(=O)COc2ccc(S(=O)(=O)NC(C)C)cc2C)cc1C 222771219 WFBBGJWZPAEBDK-UHFFFAOYSA-N 404.532 3.340 0 40 HGAB COCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1 222838211 NSYDLKTYUXGHTG-QGZVFWFLSA-N 402.922 3.453 0 40 HGAB COc1ccc(S(=O)(=O)NC[C@@H](C)c2ccccc2)cc1C(=O)N1CCCC1 224030419 KATRVANQFPRTAS-MRXNPFEDSA-N 402.516 3.013 0 40 HGAB COc1ccc(S(=O)(=O)Nc2cccc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3C4)c2)cc1 224039292 UBSJMQGBAHJMOV-BXTJHSDWSA-N 400.500 3.414 0 40 HGAB CN(C)c1nc(N2CCCCC2)ncc1NS(=O)(=O)c1ccc2ccccc2c1 224345144 BWXHTVIZDQHEBK-UHFFFAOYSA-N 411.531 3.487 0 40 HGAB CS(=O)(=O)N(CC(=O)Nc1ccc(N2CCCCC2)cc1)Cc1ccccc1F 224979228 UBBQOPVGZMDNLB-UHFFFAOYSA-N 419.522 3.216 0 40 HGAB O=C(NCCCc1ccc(F)cc1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 225488640 AJIAVLLGQRJAGM-UHFFFAOYSA-N 422.497 3.115 0 40 HGAB COc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc[nH]1 225660106 BCZKCKGNIZNFDN-NHCUHLMSSA-N 421.526 3.420 0 40 HGAB Cc1nn(C)cc1CN1CCO[C@H](c2cc(CCOc3cccc(Cl)c3)[nH]n2)C1 257222273 DSQIIRAWOSVOCR-NRFANRHFSA-N 415.925 3.300 0 40 HGAB COc1ccc(-c2ccc3c([C@@H]4CN(Cc5ccsc5)CCN4C)nnn3c2)cn1 306123048 ADJILMIZCRWXNB-FQEVSTJZSA-N 420.542 3.350 0 40 HGAB CS(=O)(=O)N(CC(=O)NC(c1ccccc1)c1ccccc1)c1ccc(F)cc1 408629866 JKOSZCATPWXQPZ-UHFFFAOYSA-N 412.486 3.498 0 40 HGAB O=C1C[C@H](c2ccc(OCc3cccc(F)c3)c(Br)c2)N2NC=NC2=N1 409376842 BQSXVBFWUUROBY-OAHLLOKOSA-N 417.238 3.343 0 40 HGAB O=C(Cc1cn2cc(Cl)cc(Cl)c2n1)Nc1cccc(CN2CC[C@H](O)C2)c1 567258751 QMFRHKKRVQDNAQ-KRWDZBQOSA-N 419.312 3.389 0 40 HGAB Cc1nc(Nc2ncc(C)s2)cc([C@H]2CCN(C(=O)/C=C/c3ccnn3C)C2)n1 585292040 IVKOBCUHBICSCZ-RGDDUWESSA-N 409.519 3.056 0 40 HGAB CC(C)[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)N1CC(Oc2ccncc2)C1 594178711 HIMFMNALYJVPFC-DEOSSOPVSA-N 417.509 3.208 0 40 HGAB Cc1nc([C@@H]2CCCN2C(=O)[C@H]2CCCN(c3ncccc3C(F)(F)F)C2)no1 608175496 QWQDOCCSWCHBHO-ZFWWWQNUSA-N 409.412 3.372 0 40 HGAB Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)N3CCn4c(nnc4C(F)F)C3)c12 684817053 ATKDUMOZSVYJKM-UHFFFAOYSA-N 423.427 3.129 0 40 HGAB CCn1cc([C@H](O)CN(Cc2ccccc2)C(=O)c2cc(C(F)(F)F)n[nH]2)cn1 1616293613 ZBKNJSPEVRXLCY-MRXNPFEDSA-N 407.396 3.021 0 40 HGAB Cc1nc2ccccc2c(=O)n1CC1CCN(C(=O)c2ccc3nsnc3c2)CC1 1889003320 VULNRPWZVXGHOM-UHFFFAOYSA-N 419.510 3.262 0 40 HGAB CCOC(=O)C1=NN(c2ccccc2)C2=NC(C)=C(C(=O)OC)[C@H](c3cccs3)N12 642637 OBVFFEHDPXCOHW-KRWDZBQOSA-N 424.482 3.305 0 40 HGAB COc1ccc(N(CC(=O)Nc2cc(Cl)cc(Cl)c2)S(C)(=O)=O)cc1 824555 NRQHGXPZHUBXSH-UHFFFAOYSA-N 403.287 3.407 0 40 HGAB Cc1ccc(NC(=O)CN2C(=O)C(C)(C)Oc3ccc(C(=O)N4CCCC4)cc32)cc1 1355312 KYFHAKFVNPKTIV-UHFFFAOYSA-N 421.497 3.374 0 40 HGAB CCS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1nc2ccc(C)cc2s1 2639335 MUKBPRBVDLIBBP-KRWDZBQOSA-N 415.540 3.320 0 40 HGAB Nc1c(Cl)cc(Cl)cc1C(=O)OCC(=O)Nc1ccc(N2CCOCC2)cc1 3260212 CZWWKHIDWVWOKR-UHFFFAOYSA-N 424.284 3.208 0 40 HGAB COc1ccc(N2C(=O)/C(=C/c3cccs3)N=C2SCC(N)=O)cc1Cl 3563676 KFKCWMYLCIHVLH-JYRVWZFOSA-N 407.904 3.372 0 40 HGAB COc1ccc(C(C)=O)cc1COC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 3575866 SLTQNMWNOPSOGM-UHFFFAOYSA-N 417.483 3.039 0 40 HGAB COc1ccccc1N1C[C@@H](C(=O)OCC(=O)Nc2cccc3ccccc23)CC1=O 4512476 XQOABMBOBQVUCF-KRWDZBQOSA-N 418.449 3.383 0 40 HGAB COc1ccc([C@H]2CC(=O)c3cnc(NC(=O)COc4ccccc4)nc3C2)cc1 4776909 LCJDPDMZJXRSHL-MRXNPFEDSA-N 403.438 3.415 0 40 HGAB CCn1c(CNC(=O)c2ccco2)nnc1SCC(=O)Nc1cc(C)ccc1C 4814960 WDJQOBYLVFCWIX-UHFFFAOYSA-N 413.503 3.169 0 40 HGAB CCCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cc2c(cc1Br)OCO2 5002932 XAYLFDUIELCGDD-HNNXBMFYSA-N 411.252 3.149 0 40 HGAB Cc1ccc(O[C@H](C)C(=O)N(Cc2ccccc2)[C@@H]2CCS(=O)(=O)C2)cc1C 5533183 JQMSYXRKDYAGQQ-UYAOXDASSA-N 401.528 3.287 0 40 HGAB O=C(Cc1cccc2ccccc12)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 5633414 APLWGHHYXXHMDN-UHFFFAOYSA-N 410.495 3.042 0 40 HGAB COc1cc(NC(=O)COc2ccc3c(C)c(C)c(=O)oc3c2)cc(OC)c1OC 6754951 DHEYRIRMLYBRCG-UHFFFAOYSA-N 413.426 3.453 0 40 HGAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)c1cc2c(s1)CCCC2 6789973 NDOYRRXUSFSSPB-MRXNPFEDSA-N 421.588 3.072 0 40 HGAB COC(=O)c1cc(NS(=O)(=O)c2ccc(OC)c(C(C)C)c2)cc(C(=O)OC)c1 7360655 NZMDLXZIYSFBKI-UHFFFAOYSA-N 421.471 3.193 0 40 HGAB Cc1ccc(S(=O)(=O)[C@H](CNC(=O)COc2ccccc2)c2cccnc2)cc1 7997288 UNOSITWBBDNSLG-OAQYLSRUSA-N 410.495 3.100 0 40 HGAB O=S(=O)(NC[C@@H](c1ccccc1)S(=O)(=O)c1cccs1)c1ccccc1 8038090 YSQLFVYRLJOBGG-KRWDZBQOSA-N 407.538 3.242 0 40 HGAB CC1(C)C(=O)Nc2ccccc2N1C(=O)CN1CCC[C@H]1c1ccc2c(c1)OCCO2 8318600 XQHYVTVEBFNMPU-SFHVURJKSA-N 421.497 3.359 0 40 HGAB COCCNC(=O)c1nc(-c2ccccc2)n(-c2ccc(Br)cc2)n1 8476413 HPPSKLPAWSDJSV-UHFFFAOYSA-N 401.264 3.073 0 40 HGAB COC(=O)c1cn(CC(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)c2ccccc12 8826315 ODBSXFQCJHJDPZ-UHFFFAOYSA-N 422.409 3.063 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2nc3c(s2)C[C@H](C)CC3)cc1 8869107 RLTGZTOMNOARAI-PBHICJAKSA-N 419.572 3.368 0 40 HGAB CC(=O)N1CCN(c2ccccc2NC(=S)NC(=O)c2cc3ccccc3o2)CC1 9410969 DTDNFRNLMXYTEA-UHFFFAOYSA-N 422.510 3.228 0 40 HGAB COC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCC(c2nc3ccccc3[nH]2)CC1 9421378 OWUHUNFVAZDKAZ-FQEVSTJZSA-N 406.486 3.236 0 40 HGAB COc1ccc(-c2csc(NC(=O)CNC(=O)c3ccc(F)cc3)n2)cc1F 9803304 RUCKPIDBGFAGSP-UHFFFAOYSA-N 403.410 3.465 0 40 HGAB COCCn1c(Cc2ccccc2)nnc1SCC(=O)NCc1ccc(C)cc1 10092806 DEZJSOXARWVBBZ-UHFFFAOYSA-N 410.543 3.232 0 40 HGAB CCOc1ccc(C(=O)N2CCC(NS(=O)(=O)c3cc(C)ccc3C)CC2)cc1 10751607 LMBSNSOHBOLCKG-UHFFFAOYSA-N 416.543 3.285 0 40 HGAB COc1ccc(OCC(=O)OCC(=O)Nc2cc(C)nn2-c2ccccc2C)cc1 11498881 ATXCMWDNMZRUKV-UHFFFAOYSA-N 409.442 3.058 0 40 HGAB O=C(Nc1nc(-c2ccc(I)cc2)cs1)c1cnccn1 12002267 FIGYUYWNMQGQIC-UHFFFAOYSA-N 408.224 3.457 0 40 HGAB COc1ccc(OC)c(CN(Cc2ccnc(N3CCCC3)n2)C[C@@H]2CCCO2)c1 12187507 WOVWJGLUPYJIJF-NRFANRHFSA-N 412.534 3.275 0 40 HGAB CCCCN1C(=O)[C@](NC(=O)C2CCCCC2)(C(F)(F)F)C(C(=O)OC)=C1C 12419948 LSUPQMRGFYUDQP-SFHVURJKSA-N 404.429 3.073 0 40 HGAB O=C(CCn1cnc2sccc2c1=O)Nc1ccnn1Cc1ccccc1Cl 12740844 BTRNZZOSNTWXMJ-UHFFFAOYSA-N 413.890 3.385 0 40 HGAB CC(=O)Nc1cccc(NC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)c1 12777980 XWBHLYSIZONAFD-UHFFFAOYSA-N 410.499 3.393 0 40 HGAB CC(=O)N[C@H](CC(=O)N1CCCN(C)c2nc3ccccc3nc21)c1ccccc1 12819944 JCCFGVJQCFUHEY-HXUWFJFHSA-N 403.486 3.070 0 40 HGAB Cc1ccc([C@@H](OC[C@H](O)Cn2cnc3ncccc3c2=O)c2ccccc2)cc1 12865916 VVODODGUUWSEMZ-IRLDBZIGSA-N 401.466 3.267 0 40 HGAB CC[C@@H](Oc1ccccc1)C(=O)N1CCN(CC(=O)Nc2ccccc2Cl)CC1 12920136 NJXHFGOPZZBOBU-HXUWFJFHSA-N 415.921 3.280 0 40 HGAB COC(=O)c1sccc1NC(=O)N1CCC(C(=O)NCc2ccccc2)CC1 12943722 WWTLIQSZGHSLLR-UHFFFAOYSA-N 401.488 3.095 0 40 HGAB C[C@H](Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1)c1ccc2ccccc2c1 12974317 BZPCYKMRIDMFSZ-KRWDZBQOSA-N 410.543 3.344 0 40 HGAB CNc1nc(SCC(=O)NCC(=O)Nc2c(C)cccc2C)nc2ccccc12 14196414 WHJQKNHXEDSVIM-UHFFFAOYSA-N 409.515 3.135 0 40 HGAB O=S1(=O)CC[C@@H](c2nn(CN3CCC(CCc4ccccc4)CC3)c(=S)o2)C1 14201265 SGVYPDSWDHOVEZ-GOSISDBHSA-N 421.588 3.410 0 40 HGAB Cc1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccccc2C(F)(F)F)c(O)c1 14246279 AKCPQEXOPUSEHZ-NSHDSACASA-N 402.394 3.025 0 40 HGAB CCCCN(C(=O)c1cc(CC)c(C)s1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 14720252 XMFXQDKWRVGYOM-UHFFFAOYSA-N 406.552 3.154 0 40 HGAB CCOC(=O)c1[nH]c(C)c(C(=O)NCCc2ccc(OC(F)F)c(OC)c2)c1C 15135504 PGOXYQAGRWKVDJ-UHFFFAOYSA-N 410.417 3.391 0 40 HGAB CCc1cc(=O)oc2cc(O[C@@H](C)C(=O)NCc3ccc(OC)c(OC)c3)ccc12 15393259 JTIGTMLUJHNGIF-AWEZNQCLSA-N 411.454 3.456 0 40 HGAB COc1ccc(NC(=O)CSc2nc3ccc(NS(C)(=O)=O)cc3s2)cc1 15669764 KLBCBBDULUYJIZ-UHFFFAOYSA-N 423.541 3.407 0 40 HGAB COCCn1c(SCC(=O)NCc2ccco2)nnc1-c1c[nH]c2ccccc12 17747354 IFUOQVSQULSISW-UHFFFAOYSA-N 411.487 3.074 0 40 HGAB CN(C)C(=O)[C@]1(Cc2cc(-c3ccccc3)no2)CCCN(C(=O)c2ccccn2)C1 19579289 JDLVRRTXNKIOJW-DEOSSOPVSA-N 418.497 3.290 0 40 HGAB Nc1nc(N2CCCC2)nc2c1[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)CC(=O)N2 19974112 WNHNUTVWJFRYCT-LBPRGKRZSA-N 421.288 3.030 0 40 HGAB CC(C)(C)OC(=O)NC(=O)CCC[C@H](NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C 22052486 KOLDSECLRRRIFP-ZDUSSCGKSA-N 416.515 3.443 0 40 HGAB in-vitro c1nc(NC[C@H]([C@H]2CCOC2)N2CCOCC2)c2c3c(sc2n1)CCCCC3 22956849 SNFWNUOFFUWDSD-DOTOQJQBSA-N 402.564 3.109 0 40 HGAB Cn1ccnc1C(=O)c1ccc(NC(=O)c2cccc(NC(=O)[C@@H]3CCCO3)c2)cc1 22965282 DKLBTRSPGHXNKR-IBGZPJMESA-N 418.453 3.021 0 40 HGAB O=S(=O)(Cc1nc(-c2ccc3c(c2)OCO3)no1)c1ccc(Br)cc1 23126273 VBQSGQCDBHGOGH-UHFFFAOYSA-N 423.244 3.202 0 40 HGAB Cc1nn(C)c2nc(C(C)C)cc(C(=O)Nc3cc(C(N)=O)ccc3N3CCCC3)c12 25466306 YQAKQOXHPZGJIS-UHFFFAOYSA-N 420.517 3.352 0 40 HGAB O=C(CSc1nnc(Cc2ccccc2)c(O)n1)Nc1nc2c(s1)CCCC2 27816484 DBTRTXGBOWCGQJ-UHFFFAOYSA-N 413.528 3.234 0 40 HGAB CC(=O)NCc1ccc(S(=O)(=O)N(C)Cc2ccc(OC(F)(F)F)cc2)cc1 28042424 XVOYSCCINZLNHU-UHFFFAOYSA-N 416.421 3.042 0 40 HGAB CC[C@@H](Oc1ccccc1Cl)C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21 30756936 PFZDLIXYSZCNGI-GOSISDBHSA-N 422.934 3.337 0 40 HGAB Cc1nn(-c2ccccc2)c(C)c1[C@H]1C(=O)NCCN1C(=O)c1ccc(Cl)cc1 31777355 INMIGFCGCALIPQ-FQEVSTJZSA-N 408.889 3.456 0 40 HGAB Cc1ccc(-c2cc(C(=O)N3CCCCC3)nn2[C@@H]2CCS(=O)(=O)C2)cc1C 33325679 JLMZHJAKYLGJOT-GOSISDBHSA-N 401.532 3.153 0 40 HGAB C[C@]12CC=CC[C@@H]1C(=O)N(CCCCCCN1C(=O)[C@@H]3CC=CC[C@]3(C)C1=O)C2=O 35025985 RSMFDXYQFYMTAP-VBVDBJQASA-N 412.530 3.229 0 40 HGAB C[C@H]1C[C@H](OC[C@H](O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)CC(C)(C)C1 35088568 DTSWGECSRZRXQY-TYPHKJRUSA-N 418.578 3.125 0 40 HGAB COC(=O)c1c(NC(=O)C2(NC=O)C3CC4CC(C3)CC2C4)sc2c1CCCC2 35170824 FLFCRQFEPIMIFP-UHFFFAOYSA-N 416.543 3.293 0 40 HGAB COCC(=O)Nc1ccc(-c2noc([C@@H]3CCCN3Cc3ccc(OC)cc3)n2)cn1 35425628 JMLVUQFZLNWWOF-SFHVURJKSA-N 423.473 3.062 0 40 HGAB biogenic,in-vitro COC(=O)c1ccc(NC(=O)CSc2nc3ccccc3n3c(C)nnc23)cc1 35426676 LTJSKICDFFPLRX-UHFFFAOYSA-N 407.455 3.103 0 40 HGAB CC(C)c1nnc(NC(=O)[C@H]2CC(=O)N(c3ccc(Br)cc3)C2)s1 36366946 UQMIYFUFVLBRTN-JTQLQIEISA-N 409.309 3.416 0 40 HGAB C[C@]12CCC(=O)N1c1ccccc1C(=O)N2CCC(=O)NCC1(c2ccccc2)CC1 40072007 ACNXKJQBADODTN-XMMPIXPASA-N 417.509 3.224 0 40 HGAB CCCS(=O)(=O)N1CCC(NC(=O)Nc2ccc(OC3CCCC3)cc2)CC1 40120630 AQIWCOFTGBHQKL-UHFFFAOYSA-N 409.552 3.334 0 40 HGAB CC(=O)Nc1ccc(CNC(=O)Cn2c(=O)n(C3=CCCCC3)c3ccccc32)cc1 40132577 YFEPQSQWUOXGIQ-UHFFFAOYSA-N 418.497 3.493 0 40 HGAB COc1ccc2nc(NC(=O)c3ccc(NC(=O)N4CCOCC4)cc3)sc2c1 40283967 PGELUVAQQGWRMS-UHFFFAOYSA-N 412.471 3.421 0 40 HGAB O=S1(=O)CC[C@H](Cc2nc3ccccc3n2C[C@@H](O)c2ccc(F)cc2F)C1 51290503 ZXBXRSVDKULKSZ-BFUOFWGJSA-N 406.454 3.025 0 40 HGAB COc1ccc2nc(NC(=S)NC(=O)c3ccc4nsnc4c3)sc2c1 57315872 BKKIOYWUBHLUBM-UHFFFAOYSA-N 401.498 3.436 0 40 HGAB CC(=O)c1ccc(NC(=O)Cn2c(=O)n(CCC(C)C)c(=O)c3ccccc32)cc1 57526087 HPYGPXNLTOUYBT-UHFFFAOYSA-N 407.470 3.051 0 40 HGAB Cc1cccnc1NC(=O)[C@@H]1CCCN(C(=O)C[C@H]2Sc3ccccc3NC2=O)C1 58402279 KNESSJQGCZLPAN-CRAIPNDOSA-N 424.526 3.070 0 40 HGAB COc1ccc(C2=NC(C)(C)N(CC(=O)N[C@@H](C)CCc3ccccc3)C2=O)cc1 71327827 VNNLCKIKRVOPFK-KRWDZBQOSA-N 407.514 3.200 0 40 HGAB COCCOc1ccc(NC(=O)N(C)[C@H]2CCN(c3ccccc3Cl)C2=O)cn1 72277781 OCWYEHBHJNQIGR-KRWDZBQOSA-N 418.881 3.029 0 40 HGAB CC(=O)c1ccc(NC(=O)[C@H](C)N2CCC[C@H](C(=O)Nc3ncccc3C)C2)cc1 72308206 RMBLWEPAHMYJCR-LPHOPBHVSA-N 408.502 3.270 0 40 HGAB CCC(CC)C(=O)N1CCO[C@](Cc2ccccc2-c2cccnc2)(C(=O)N(C)C)C1 72389027 RJWDDGQBBIIIIZ-VWLOTQADSA-N 423.557 3.413 0 40 HGAB CCNC(=O)c1cccc(NC(=O)COc2ccc([C@](C)(O)C(F)(F)F)cc2)c1 84791104 KXLAQBDHHPNKES-IBGZPJMESA-N 410.392 3.224 0 40 HGAB CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H](C(=O)Nc2cnn(-c3ccccc3F)c2)O1 89662564 WFGAURRQVUDMAN-YOEHRIQHSA-N 404.442 3.022 0 40 HGAB CCOC(=O)CN(C(=O)c1csc(-c2ccc3c(c2)OCO3)n1)C1CCCC1 95409203 UPMUOKGVVBOORH-UHFFFAOYSA-N 402.472 3.487 0 40 HGAB CCN(CC)S(=O)(=O)c1cccc(C2=N/C(=C/c3ccc(F)cc3)C(=O)O2)c1 98004275 NSTRRFJXEMTMCS-LDADJPATSA-N 402.447 3.201 0 40 HGAB Cc1cc(NCN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@H]3C2=O)cc(C)c1Br 100395550 ADAGSCDZPVUSQZ-KWRZAIAESA-N 401.304 3.488 0 40 HGAB CC(=O)c1sc(NC(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)nc1-c1ccccc1 102850947 XPNIFURXMCMSAV-GJZGRUSLSA-N 411.483 3.126 0 40 HGAB C[C@@H](NC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)[C@@H]1C[C@@H]2CC[C@@H]1C2 102963100 ZKPMRPACCARHHJ-VELGLUOQSA-N 404.576 3.345 0 40 HGAB COc1ccc(C(=O)[C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]3[C@H]3CCCN23)cc1 103531048 PPKBCXDRJPIAHD-ZRNYENFQSA-N 424.884 3.184 0 40 HGAB CCOC(=O)c1sc(NC(=O)C2CCN(c3cc(C4CC4)ncn3)CC2)nc1C 206655104 YWSAFUNXWXDTHR-UHFFFAOYSA-N 415.519 3.151 0 40 HGAB COc1ccc(S(=O)(=O)N[C@H](C)c2ccc3c(c2)CCC3)cc1N1CCCC1=O 223212327 DJTMZEXDQHVEJV-OAHLLOKOSA-N 414.527 3.350 0 40 HGAB COc1ccc(S(=O)(=O)N(C)Cc2nc(-c3ccc(C)cc3)no2)c(C)c1C 223324978 PAGGKGNKKQCNKG-UHFFFAOYSA-N 401.488 3.491 0 40 HGAB CC(C)(C)CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 226077229 XHSVJOCQSTVINM-CYBMUJFWSA-N 417.369 3.012 0 40 HGAB COc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@H]3C[C@H]4CC[C@H]3C4)cc2)cc1 260572566 DSIQFGBKRZPAOT-UVFQYZLESA-N 400.500 3.414 0 40 HGAB COc1ccc(N(CCCC(=O)N[C@H](C)c2ccccc2OC)S(C)(=O)=O)cc1 260741017 CWYAYCITDLCEJX-MRXNPFEDSA-N 420.531 3.127 0 40 HGAB Cc1cccc(N(CCCC(=O)NCCCN2CCC[C@H](C)C2)S(C)(=O)=O)c1C 260760831 BAFAHWNLJVHJCR-SFHVURJKSA-N 423.623 3.088 0 40 HGAB COc1ccc(N([C@H](C)C(=O)NC[C@H](C)c2ccccc2)S(C)(=O)=O)cc1Cl 260844111 FGSYSJGSQSLKBD-LSDHHAIUSA-N 424.950 3.423 0 40 HGAB CCOc1ccc(N(CC(=O)N[C@H](C)C(C)C)S(=O)(=O)c2ccccc2)cc1 260899904 QRMRKVOKWUGRHK-QGZVFWFLSA-N 404.532 3.441 0 40 HGAB COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N3CCC(C)CC3)cc2)cc1 408548803 VLQHJAZZRYERSY-UHFFFAOYSA-N 402.516 3.392 0 40 HGAB CCN(CC)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2C(=O)OC)cc1 408560136 CCZSYPIGJBUFBS-UHFFFAOYSA-N 405.476 3.148 0 40 HGAB COc1ccc(C(=O)N2CCN([C@H](CCC(=O)O)c3ccc(F)cc3)CC2)cc1 408605016 GAWGMPCDOBQKRN-HXUWFJFHSA-N 400.450 3.198 0 40 HGAB CCNS(=O)(=O)c1ccc(CCC(=O)N2CCC(Cc3ccccc3)CC2)cc1 409390198 JZWZUQDOMKBCSM-UHFFFAOYSA-N 414.571 3.399 0 40 HGAB CCCCCCN1CC2(C1)CN(C(=O)c1ccc(Cl)cc1)C[C@@H]1COCCN12 604381778 NZISMWWLJRXVHL-HXUWFJFHSA-N 405.970 3.131 0 40 HGAB biogenic,in-vitro COc1ccc(C(=O)N2CCC(Cn3c(C)nc4ccccc4c3=O)CC2)cc1F 1848602625 YRWFIRHBXAALDJ-UHFFFAOYSA-N 409.461 3.405 0 40 HGAB CCN1CC[C@]2(CN(c3ncccn3)CC23CCN(CC2CCCCC2)CC3)C1=O 2055795909 STZNNLSTEZKOPZ-DEOSSOPVSA-N 411.594 3.198 0 40 HGAB COc1ccc2cc(CN(C[C@@H]3CCCO3)C(=S)NCC(C)C)c(=O)[nH]c2c1 879746 ZCKQNDYOONSQSH-SFHVURJKSA-N 403.548 3.048 0 40 HGAB CC(=O)NC(Nc1sc2c(c1C(N)=O)CCCC2)(C(F)(F)F)C(F)(F)F 1066214 ICVPCUFXHVJHCY-UHFFFAOYSA-N 403.348 3.095 0 40 HGAB O=C(NCc1ccc(F)cc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 1363382 SIBZSSNNPUIRBR-OAHLLOKOSA-N 410.898 3.196 0 40 HGAB CCCOC(=O)c1ccc(NC(=O)c2c(O)n3c4c(cccc4c2=O)CCC3)cc1 2126741 QGIWLYTZFFPCQP-UHFFFAOYSA-N 406.438 3.472 0 40 HGAB biogenic COc1cccc2cc(C(=O)OCC(=O)N[C@@H](C)CCc3ccccc3)c(=O)oc12 3224048 GTCYITCYHLURLV-HNNXBMFYSA-N 409.438 3.096 0 40 HGAB CSCC[C@H]1NC(=O)N(CC(=O)N[C@H](C)c2ccc(-c3ccccc3)cc2)C1=O 3398587 VWMXSZGVHYIXLH-DNVCBOLYSA-N 411.527 3.204 0 40 HGAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)CSCc2c(C)noc2C)c1C 3432351 PRVCFYDYEUAPNQ-AWEZNQCLSA-N 422.503 3.461 0 40 HGAB CCS(=O)(=O)Nc1cccc(C2=NN(C(C)=O)[C@H](c3ccccc3OC)C2)c1 4036301 SHVMWYAIFNHYOF-IBGZPJMESA-N 401.488 3.154 0 40 HGAB CCc1nnc(NC(=O)CSc2nnc(COc3ccc(Cl)cc3)o2)s1 4130458 GOWPKCHURFRVLP-UHFFFAOYSA-N 411.896 3.447 0 40 HGAB Cn1c(SCC(=O)Nc2ccc(F)cc2F)nnc1-c1ccc2c(c1)OCO2 4736398 QZKDVVLLDRGWAA-UHFFFAOYSA-N 404.398 3.220 0 40 HGAB Cc1cc(C)c(S(=O)(=O)Nc2ccc3c(c2)CCCN3S(C)(=O)=O)c(C)c1 5099703 MBFNNJYDSVDQTK-UHFFFAOYSA-N 408.545 3.125 0 40 HGAB CC(=O)Nc1ccc(-c2ccc(=O)n3c2[C@@H]2C[C@@H](CN(C(=O)NC(C)C)C2)C3)cc1 5437856 CWVWUJQEYPDOIY-FUHWJXTLSA-N 408.502 3.011 0 40 HGAB biogenic,in-vitro O=C(CN1C(=O)N[C@]2(CCCc3sccc32)C1=O)N[C@H]1CCCc2ccccc21 5679263 YJQQRXSWPKBFGF-JTSKRJEESA-N 409.511 3.025 0 40 HGAB O=C(CN1C(=O)S/C(=C/c2ccc(O)c(O)c2)C1=O)Nc1ccc(F)cc1F 6224373 QKBIZMQWTMDARW-GIDUJCDVSA-N 406.366 3.051 0 40 HGAB CCOc1cc(Cl)c(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1OCC 6350887 ZNCHBIVGWUZYEE-RIYZIHGNSA-N 418.833 3.392 0 40 HGAB CCN(CC)C(=S)S[C@H](C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 8393975 GNWZEMBUJGNPJL-CQSZACIVSA-N 406.577 3.171 0 40 HGAB Cc1noc(C)c1S(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccc(C(C)(C)C)cc1 8724419 PWUZDDKLZFWCCI-KRWDZBQOSA-N 405.520 3.381 0 40 HGAB NC(=O)c1ccc(NC(=O)[C@H]2CCc3sc(NC(=O)c4ccccc4)nc32)cc1 9131428 FCVKHGMAVLWTNP-HNNXBMFYSA-N 406.467 3.163 0 40 HGAB O=C(Cn1nc(-c2ccccc2)oc1=O)N1CCC[C@H]1c1nc2ccccc2s1 9516648 HMTZZGABIJAPCV-INIZCTEOSA-N 406.467 3.477 0 40 HGAB NC(=O)c1cccc(NC(=O)c2nc(-c3cccs3)n(-c3ccc(F)cc3)n2)c1 11199636 SSTNWPHCLLPUMY-UHFFFAOYSA-N 407.430 3.486 0 40 HGAB Cc1cc(=O)oc(C)c1C(=O)OCC(=O)Nc1c(F)cc(F)cc1Br 11650525 CDKIEGBSBNGTDO-UHFFFAOYSA-N 416.174 3.093 0 40 HGAB CC(C)(C)C1=NN(CC(=O)NCc2ccccn2)C(=O)c2cc3sccc3n2C1 12117949 ZCLHXSNAFFHQKS-UHFFFAOYSA-N 409.515 3.272 0 40 HGAB COc1cccc(C2=NN(C(=O)CCC(=O)O)[C@@H](c3ccc4nccnc4c3)C2)c1 12420777 RHHUTSZIFGBJNR-HXUWFJFHSA-N 404.426 3.181 0 40 HGAB Cc1cc(CN2CCN(S(=O)(=O)c3ccc(Cl)cc3C(F)(F)F)CC2)no1 12552810 FJWRUYHYRQHBLN-UHFFFAOYSA-N 423.844 3.162 0 40 HGAB O=C(CN1CCN(C(=O)c2cc3ccccc3cc2O)CC1)Nc1cccc(F)c1 12819053 JXUPLMICALRQCT-UHFFFAOYSA-N 407.445 3.081 0 40 HGAB Cc1ccc(SCCNC(=O)CSc2nc(C)c(C)c(C)c2C(N)=O)cc1 12941744 PSFXCTKKBQQBAN-UHFFFAOYSA-N 403.573 3.415 0 40 HGAB COc1ccc(F)cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(F)cc2)C1 13580645 FLHGLJUUTFYUPR-CYBMUJFWSA-N 410.442 3.013 0 40 HGAB C[C@H]1CCc2c(sc(NC(=O)[C@H]3CC=CC[C@@H]3C(=O)O)c2C(=O)NC2CC2)C1 17082485 BDMVNYBTHTVSCW-UBHSHLNASA-N 402.516 3.371 0 40 HGAB COCCc1ccc(-c2csc(NC(=O)c3nc4nc(C)cc(C)n4n3)n2)cc1 18830651 OXSRTDWVKRBFDG-UHFFFAOYSA-N 408.487 3.306 0 40 HGAB Cc1cnc(C(=O)N2CCC[C@H]2c2nc(C)c3c(n2)N(CCC(C)C)C(=O)CC3)cn1 19740758 BWUCQDCAAPLNAH-IBGZPJMESA-N 422.533 3.186 0 40 HGAB Cc1ccc(C)c(N(CC(=O)N(C)Cc2ccc(Cl)cc2)S(=O)(=O)N(C)C)c1 20047427 MPFOMBHWXBGRRG-UHFFFAOYSA-N 423.966 3.228 0 40 HGAB O=C(COC(=O)CCc1nnc(-c2ccccc2)o1)Nc1cccc2ncccc12 21521888 DOYIYOFPVVBCOV-UHFFFAOYSA-N 402.410 3.399 0 40 HGAB Cc1ccc([C@@H](CNS(=O)(=O)c2ccc3c(c2)CCCC3)N2CCOCC2)cc1 23108015 LZMNNGBWPGVVNC-HSZRJFAPSA-N 414.571 3.226 0 40 HGAB CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)N[C@H](C)c2ccccc2F)cc1 23227261 HKZGCKZMYYWDOT-OAHLLOKOSA-N 420.506 3.306 0 40 HGAB O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)c1cc(N2CCOCC2)ccn1 23995330 OSTWRLYDCOYLSY-UHFFFAOYSA-N 418.501 3.155 0 40 HGAB COC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](c3nc4ccccc4o3)C2)cc1 24683936 ININOQIELBEPCH-OAHLLOKOSA-N 400.456 3.183 0 40 HGAB O=C(NC1CCCC1)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 24751446 HUNLWTZIOYXEAV-UHFFFAOYSA-N 404.454 3.165 0 40 HGAB O=C(NC[C@H]1COc2ccccc2O1)[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 24858912 ORSPWSVKNBGZBH-XRXSWRKKSA-N 424.541 3.150 0 40 HGAB Cc1nc(SC[C@@H]2CSc3nnc(-c4ccccc4)n32)sc1CC(N)=O 26118791 QKVLYPNLLILEQT-LBPRGKRZSA-N 403.558 3.177 0 40 HGAB CCCNC(=O)CSc1nnc(S[C@H](C)c2nc3ccccc3c(=O)[nH]2)s1 26219599 OOMPMIWXNVVWLR-SNVBAGLBSA-N 421.573 3.246 0 40 HGAB COc1ccc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1S(N)(=O)=O 29520209 VETNOFCBECSLCY-UHFFFAOYSA-N 408.785 3.267 0 40 HGAB CC(C)NS(=O)(=O)c1cccc(CNC(=O)c2cc(-c3ccccc3F)on2)c1 30042079 VGRNGRMATTZPPF-UHFFFAOYSA-N 417.462 3.097 0 40 HGAB CC(C)(CCN1CCN(C(=O)[C@@H]2CS[C@H](c3cccnc3)N2)CC1)c1ccccc1 31418071 HEXKEOJEDCYAPX-FCHUYYIVSA-N 424.614 3.297 0 40 HGAB O=S(=O)(c1ccccc1)N(Cc1ccccc1)C[C@@H](O)COc1ccc(F)cc1 32765387 ZPPWZMWKOJMLNT-HXUWFJFHSA-N 415.486 3.457 0 40 HGAB COc1ccc(CCNC(=O)c2ccc(CN3C[C@@H](C)O[C@H](C)C3)cc2)cc1OC 32824552 IZEKTTQUGGOHAA-QZTJIDSGSA-N 412.530 3.286 0 40 HGAB Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)NCCC(=O)N1CCCC1 32836768 ASMJSCKDBPGQNN-UHFFFAOYSA-N 407.923 3.426 0 40 HGAB CCCCn1c(=O)c2sccc2n2c(CCC(=O)NCCc3ccccc3)nnc12 35528734 CFTBGYQOIPEFRM-UHFFFAOYSA-N 423.542 3.197 0 40 HGAB CC(C)c1c(C(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cnn1-c1ccccn1 36834448 MJTDUYLVRBFUAY-HNNXBMFYSA-N 412.515 3.285 0 40 HGAB Cn1nc(-c2ccccc2)cc1C(=O)N1CCN(C(=O)[C@@H]2C[C@@H]2c2cccs2)CC1 38730946 MPQQJFQHPXDIHB-ZWKOTPCHSA-N 420.538 3.237 0 40 HGAB O=C(Cc1ccc(C(F)(F)F)cc1)N(Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 40039337 MJVAHXNSDVKERG-SFHVURJKSA-N 411.445 3.464 0 40 HGAB O=C(NC[C@@H](c1ccco1)N1CCCC1)[C@H]1CCCN(C(=O)c2cccs2)C1 40058977 SUYKHUJUJDSJHG-IRXDYDNUSA-N 401.532 3.147 0 40 HGAB CN(C)Cc1ccc(CNC(=O)c2cn(-c3cccc(Br)c3)nn2)cc1 40086568 WGOKSGVUZBJEBE-UHFFFAOYSA-N 414.307 3.021 0 40 HGAB CN(c1ccccc1)c1ccccc1NC(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O 40114477 UKDYLMDGGYRWCM-NLZGTENKSA-N 401.466 3.200 0 40 HGAB O=C(c1[nH]c2ccccc2c1Cl)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 40144497 ZSUWUKLOLSYHIT-UHFFFAOYSA-N 421.881 3.107 0 40 HGAB CCS(=O)(=O)Nc1ccc(NC(=O)c2cccnc2N2CCCCC2)cc1OC 40157749 ZRMBBBQWUMWOJK-UHFFFAOYSA-N 418.519 3.094 0 40 HGAB COC(=O)c1sc(NC(=O)C2CCN(c3nc4ccccc4o3)CC2)nc1C 48260258 CJHXNRUDVPOCFW-UHFFFAOYSA-N 400.460 3.234 0 40 HGAB O=C(COC(=O)c1cccc2c1C(=O)c1ccccc1-2)Nc1ccc2c(c1)OCO2 49022518 BWFOVJFHOBNJMT-UHFFFAOYSA-N 401.374 3.422 0 40 HGAB COc1ccc(NC(=O)[C@H]2CCCCN2CC(=O)OCc2ccccc2)cc1OC 57837928 XPBJFHUEJRQHPO-LJQANCHMSA-N 412.486 3.240 0 40 HGAB CCNC(=O)CCC/C=C/C[C@H]1[C@H](O)C[C@H](O)[C@@H]1/C=C/[C@H](O)CCc1ccccc1 59867924 AQOKCDNYWBIDND-DIGXWWOKSA-N 415.574 3.147 0 40 HGAB COc1ccc(C(C)=O)c(OS(=O)(=O)c2ccc(N3CCCC3=O)cc2C)c1 60127383 XFHAGABKMCSOFJ-UHFFFAOYSA-N 403.456 3.101 0 40 HGAB CC(C)(C)c1cc(C(=O)N2CCC3(CC2)C[C@](O)(c2ccc(F)cc2)CO3)[nH]n1 72335509 MFITUFWOKSMTFW-JOCHJYFZSA-N 401.482 3.129 0 40 HGAB CN(CC(=O)Nc1ccc([C@H]2NC(=O)c3cccnc3N2C)cc1)C1CCCCC1 72341152 GXYGFJRARHELPU-NRFANRHFSA-N 407.518 3.163 0 40 HGAB Cc1ccccc1Cc1cccc(C2CCN(C(=O)c3ccc(=O)n(C)n3)CC2)n1 72350069 PGDILIBUTWFMRF-UHFFFAOYSA-N 402.498 3.094 0 40 HGAB O=S(=O)(c1cn[nH]c1)N1CCC[C@@H](c2cccc(Cc3ccccc3F)n2)C1 72350424 KVIYRHODZDFYEH-MRXNPFEDSA-N 400.479 3.103 0 40 HGAB CC(C)OCC(=O)N1CC[C@@H](c2c(C(=O)N3CCOCC3)sc3ccccc23)C1 72352357 NOHYZNHCWWIQQH-MRXNPFEDSA-N 416.543 3.115 0 40 HGAB O=S(=O)(c1ccccc1)n1c(I)cc2c(F)ccnc21 95919963 RRBGWTZKTLWGTQ-UHFFFAOYSA-N 402.188 3.017 0 40 HGAB O=C(c1ccncc1)N1CC[C@@]2(C1)c1ccccc1S(=O)(=O)N2Cc1ccccc1 96261902 HZMUAVMMRMJPOF-HSZRJFAPSA-N 419.506 3.028 0 40 HGAB C[C@H](NC(=O)Cc1ccc2c(c1)OCO2)c1cc(O)n2nc(-c3cccs3)cc2n1 100769320 RRPNYBIZERHJIH-LBPRGKRZSA-N 422.466 3.312 0 40 HGAB CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)C(=O)CC[C@H]4[C@@H]3C[C@H](OC(C)=O)[C@@]2(O)C1 123422713 OPSNFNKUVFNPRH-NQVYONGLSA-N 406.519 3.186 0 40 HGAB CC[C@@H](NC(=O)CCCN1C(=O)c2ccccc2C1=O)c1ccc(OC)c(OC)c1 219139998 GXSGEDWUPOPCJV-GOSISDBHSA-N 410.470 3.348 0 40 HGAB COC(=O)c1ccc(NC(=O)CCCN(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1 222566325 QRNAQYHKWWMKEN-UHFFFAOYSA-N 418.515 3.275 0 40 HGAB CC(C)NS(=O)(=O)c1ccc(OCC(=O)Nc2ccc3sncc3c2)cc1 222631381 FDCILEDPWVZJDD-UHFFFAOYSA-N 405.501 3.001 0 40 HGAB CN(C)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(Br)s1 223253695 FWIDIAQASONVME-CABCVRRESA-N 411.394 3.440 0 40 HGAB CSc1nnc(NC(=O)c2ccccc2NS(=O)(=O)c2ccccc2)s1 223403859 GENXNIPCPVJIOF-UHFFFAOYSA-N 406.514 3.313 0 40 HGAB Cc1ccc(OCCNC(=O)CN(c2cccc(Cl)c2C)S(C)(=O)=O)cc1C 223681919 KDMKSNBCWTUWLL-UHFFFAOYSA-N 424.950 3.226 0 40 HGAB Cc1ccc(Cl)cc1N(CC(=O)NCCSC1CCCC1)S(C)(=O)=O 223951301 FNZCSOFECDDFGX-UHFFFAOYSA-N 404.985 3.206 0 40 HGAB C[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCCc1ccc(Cl)cc1 224089504 GZEZDSMOVAPARW-HNNXBMFYSA-N 424.950 3.252 0 40 HGAB COC(=O)c1cc(S(=O)(=O)N[C@@H](C)c2cc(OC)ccc2OC)ccc1Cl 224619877 DHDHEPNGMMEPCW-NSHDSACASA-N 413.879 3.183 0 40 HGAB CC(C)Oc1cccc(NC(=O)[C@@H](C)Oc2ccc(N(C)S(C)(=O)=O)cc2)c1 224904891 RPZKIPVAQAKBAG-OAHLLOKOSA-N 406.504 3.276 0 40 HGAB CNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)COc1ccc(F)cc1 225469099 JVXJOQJPNUJOCB-CYBMUJFWSA-N 423.282 3.130 0 40 HGAB C/C=C(/C)C(=O)O[C@H](c1cc(OC)c2c(c1)OCO2)[C@H](C)OC(=O)[C@]1(C)O[C@@H]1C 252513917 AVJNVKMXZXWBFC-KNWDEJPMSA-N 406.431 3.084 0 40 HGAB biogenic,in-vitro COCC(=O)N1CC[C@H]2[C@@H](C1)[C@H](c1ccc(F)c(F)c1)CN2Cc1ccccc1 257278204 OBGOSSHQIDIBAO-IPJJNNNSSA-N 400.469 3.428 0 40 HGAB Cc1cccc(NC(=O)C[C@@H]2C(=O)OCN2C(=O)OCc2ccccc2)c1Cl 408737191 LTWUYXZZCMXQJI-MRXNPFEDSA-N 402.834 3.499 0 40 HGAB CCCN(CCC)C(=O)CN1C(=O)S/C(=C\c2cc(OC)c(O)c(OC)c2)C1=O 409208284 AHUPSSJJXWZVID-WJDWOHSUSA-N 422.503 3.094 0 40 HGAB CCCC(=O)[C@H](CCc1ccccc1)N[C@H](C)C(=O)N1[C@H](C(=O)O)C[C@H]2CCC[C@H]21 504304257 UJRWOTKNFKYDQM-RQXATKFSSA-N 414.546 3.189 0 40 HGAB Nc1c(C(=O)Nc2cccc(C(=O)Nc3cccc(F)c3)c2)cnn1-c1ccccn1 555416827 ZQQUJTYVPUQARI-UHFFFAOYSA-N 416.416 3.493 0 40 HGAB Cc1ccc(N2CC[C@@]3(CN(C(=O)Cc4cccc(F)c4F)CCC3(F)F)C2)nn1 585102071 QGWQBKKBYBHSTG-FQEVSTJZSA-N 422.426 3.370 0 40 HGAB CC(C)c1nccn1CCC(=O)N1CCC[C@@](O)(COc2ccc(F)cc2)CC1 2037909380 ZHYAPOGTPOJTCV-QFIPXVFZSA-N 403.498 3.358 0 40 HGAB COc1cnc(O[C@@H]2CCN(c3ncc(Br)cc3C(F)(F)F)C2)nc1 2086992596 JWMGWQWUSRAEFG-SNVBAGLBSA-N 419.201 3.319 0 40 HGAB CCOC(=O)c1c(NC(=O)c2cc3ccccc3oc2=O)sc2c1CCN(C)C2 816580 FXAJGQIONFDFBP-UHFFFAOYSA-N 412.467 3.271 0 40 HGAB O=C(Oc1ccc(Cl)cc1)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 832303 KTFGMORRYKHZBG-UHFFFAOYSA-N 416.282 3.234 0 40 HGAB CCCCc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 3611162 VHOPVWCJZUKZBD-UHFFFAOYSA-N 402.516 3.302 0 40 HGAB CC(C)COC(=O)[C@H]1[C@H](c2ccc(F)cc2)[C@@H](C(=O)OCC(C)C)C(=O)C[C@]1(C)O 4127227 XPJNTNUMQIGRLO-AWWSKVOZSA-N 422.493 3.264 0 40 HGAB CCOc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)on2)cc1 4411727 DQSAYXRBRYJKAB-UHFFFAOYSA-N 401.444 3.435 0 40 HGAB COC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(NC(=O)C(C)(C)C)c1 4414044 HZHIELSDKZXYLU-UHFFFAOYSA-N 423.513 3.420 0 40 HGAB O=c1/c(=C/c2ccc(O)cc2)sc2n1[C@H](c1ccccc1)C(c1ccccc1)=NN=2 4537621 CTHGCMCEROPAJR-MNJKBJKMSA-N 411.486 3.071 0 40 HGAB CC(=O)Nc1ccc(NC(=O)CCCCCNS(=O)(=O)c2ccccc2)cc1 4734418 APTPPZOFJLVVLX-UHFFFAOYSA-N 403.504 3.122 0 40 HGAB CC(C)NC(=O)c1ccc2c(c1)N(CC(=O)OCc1ccccc1)C(=O)C(C)(C)O2 4965795 HFMDQUMTSZXGGM-UHFFFAOYSA-N 410.470 3.072 0 40 HGAB C[C@H]1CCc2cc(F)ccc2N1S(=O)(=O)c1cc2c3c(c1)CCN3C(=O)CC2 5153530 GBEVIHWKHXOWPN-ZDUSSCGKSA-N 400.475 3.191 0 40 HGAB CC(C)(C)NC(=O)NC(=O)CSc1nnc(-c2ccccc2Br)o1 6159240 FMMGLIRGUPGHSZ-UHFFFAOYSA-N 413.297 3.216 0 40 HGAB CCC(=O)NC(=S)Nc1ccc(NC(=S)NC(=O)/C=C/c2ccccc2)cc1 6709393 YNBPWLDQGPWOGN-MDWZMJQESA-N 412.540 3.436 0 40 HGAB COc1ccc(Cl)cc1N([C@@H](C)C(=O)NC(C(C)C)C(C)C)S(C)(=O)=O 7872164 AWWCZQMOFPTGRQ-ZDUSSCGKSA-N 404.960 3.300 0 40 HGAB O=C(NCc1ccccc1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1F 7977230 IPZKTRHVWATSHS-HXUWFJFHSA-N 412.486 3.032 0 40 HGAB CC(=O)c1cccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2)c1 8036422 RRBXTXRWWUMXSG-OAHLLOKOSA-N 414.845 3.077 0 40 HGAB CC(C)(C)CC(=O)N[C@H]1C[C@H]2C(=O)Nc3ccc(-c4ccccc4)cc3C(=O)N2C1 8297051 OWZUSQAGWLXWHO-PXNSSMCTSA-N 405.498 3.441 0 40 HGAB biogenic,in-vitro O=c1c2nnn(-c3cccc(Cl)c3)c2ncn1Cc1ccc(Br)cc1 9278195 QAMKJJSSXWJWMW-UHFFFAOYSA-N 416.666 3.441 0 40 HGAB CN(C(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1)c1ccccc1 11764440 XRNHDIOCOSNUEW-UHFFFAOYSA-N 404.396 3.023 0 40 HGAB CC(=O)c1c(C)n(CC(=O)N[C@H](C)Cn2c(=O)oc3ccccc32)c2ccccc12 12142020 HWKGOGYLYJYPRX-CQSZACIVSA-N 405.454 3.265 0 40 HGAB CCOc1ccc([C@H](O)CN2CCC(NC(C)=O)(c3ccc(F)cc3)CC2)cc1 12188365 HCQAHXJLRDZTEU-JOCHJYFZSA-N 400.494 3.385 0 40 HGAB O=C(c1cc(C2CC2)on1)N1CCC[C@H](c2cc(C(F)(F)F)n3ncnc3n2)C1 12226997 WOAYZYKMTKMMMG-NSHDSACASA-N 406.368 3.028 0 40 HGAB COc1cc(C(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)ccc1OC(F)F 12252355 ATDPPWSDEQZTGJ-UHFFFAOYSA-N 412.414 3.089 0 40 HGAB CC(C)c1noc([C@H](C)Sc2nnc(N3CCOCC3)n2-c2ccccc2)n1 12522104 MSDJENWSKKDTHM-AWEZNQCLSA-N 400.508 3.464 0 40 HGAB COCCn1c(C)cc(C(=O)COc2ncnc3c2cnn3-c2ccccc2)c1C 12569124 KZPMXUNAIDULQR-UHFFFAOYSA-N 405.458 3.142 0 40 HGAB C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3cccc(Cl)c3)cc2)C[C@@H](C)O1 12599230 JBVQKDKVUSOXHH-OKILXGFUSA-N 408.907 3.390 0 40 HGAB Cc1nc(C)c2c(C)c(C(=O)NC[C@H](c3cccs3)N3CCOCC3)sc2n1 12798670 HKSKBHZEBGRRQJ-OAHLLOKOSA-N 416.572 3.481 0 40 HGAB Cc1csc(S[C@H](C)C(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)n1 12863960 SMFRRRVFYLGCHR-SNVBAGLBSA-N 419.981 3.475 0 40 HGAB O=C(N[C@H]1CCN(Cc2ccccc2)C1)C1CCN(C(=O)/C=C/c2ccccc2)CC1 12908441 RPCISKDIXFTZNH-LCJITAHGSA-N 417.553 3.329 0 40 HGAB CC(=O)Nc1cccc(-n2nnnc2S[C@@H](C)C(=O)Nc2cc(C)ccc2C)c1 12925952 QYQHIDVUBKSKKF-AWEZNQCLSA-N 410.503 3.357 0 40 HGAB CCCc1nnc(NC(=O)[C@@H]2CC(=O)N(c3cccc(Br)c3)C2)s1 12973271 SGMXUNDHJZQGMI-SNVBAGLBSA-N 409.309 3.245 0 40 HGAB Cc1cc(-c2snnc2[C@@H]2CCCN(C(=O)[C@@H](C)Cn3nc(C)cc3C)C2)on1 13225369 JMKTUCOJIARYIR-BLLLJJGKSA-N 414.535 3.357 0 40 HGAB O=C(C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)N1CCC[C@H]2CCCC[C@@H]21 14014543 LKFZGCUFIVKYIM-UZLBHIALSA-N 408.539 3.408 0 40 HGAB CC(C)NS(=O)(=O)c1ccc(C(=O)OCc2ccc(Br)cc2)cc1 14066342 HEXAGKVKUGYJGY-UHFFFAOYSA-N 412.305 3.493 0 40 HGAB Cc1cc(NC(=O)[C@H](C)OC(=O)C[C@H]2Sc3ccc(Cl)cc3NC2=O)on1 14146085 ULWFLSAPLJDIDT-TVQRCGJNSA-N 409.851 3.010 0 40 HGAB C[C@@H](NC(=O)[C@@H](C)N1CCC(C(=O)Nc2ccccc2O)CC1)c1ccc(F)cc1 15043760 YHUZNBCTZHINTR-HZPDHXFCSA-N 413.493 3.448 0 40 HGAB FC(F)(F)c1ccc(N2CCCN(Cn3nc4ccccn4c3=S)CC2)nc1 16875853 MUBYWJFXGISGRN-UHFFFAOYSA-N 408.453 3.449 0 40 HGAB O=C(Nc1cccc(Cl)c1)N1CCC2(CC1)NC(=O)N(Cc1ccccc1)C2=O 17179086 YOWFHLCTHVNUHY-UHFFFAOYSA-N 412.877 3.459 0 40 HGAB Cc1ccc(C)c(S(=O)(=O)NCc2ccc(C(=O)N3C[C@H](C)O[C@H](C)C3)cc2)c1 18086944 TZQFKLOTXJPZDP-HDICACEKSA-N 416.543 3.031 0 40 HGAB O=C(c1ccc(I)cc1)N1CCN(Cc2ccccc2)CC1 19372080 WBGYLBFXKRMKDV-UHFFFAOYSA-N 406.267 3.249 0 40 HGAB CCOC(=O)c1cnn2c1N[C@H]([C@@H]1CCCN(C(=O)C(C)C)C1)C[C@@H]2C(F)(F)F 19530892 ZVNRBCCPLCOOMD-VHDGCEQUSA-N 416.444 3.242 0 40 HGAB COc1ccc([C@@H]2c3nc[nH]c3CCN2C(=O)c2cn(C)c(=O)c3ccccc23)cc1 19663643 SIFBZGMFPXZLJP-JOCHJYFZSA-N 414.465 3.058 0 40 HGAB CCn1nc([C@@H](C)C(=O)NCc2ccccc2N2CCCC2)c2ccccc2c1=O 19718013 RIBDFGYQJBYHGC-QGZVFWFLSA-N 404.514 3.437 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)N(C)Cc1ccc(C)cc1 20105328 ORKUNTVQFBEEIO-UHFFFAOYSA-N 402.516 3.060 0 40 HGAB Cc1cc(Cl)ccc1NC(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1 20110328 ZTKZBBWOXQXPJQ-INIZCTEOSA-N 415.298 3.468 0 40 HGAB Cc1ccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CCN2CCOCC2)cc1 20308144 IESJSMNHRWAQCH-OAQYLSRUSA-N 422.456 3.118 0 40 HGAB CCN(CC)C(=O)c1cc(OC)c(OC)cc1N(Cc1ccccc1)S(C)(=O)=O 22253590 UBXQVVGVOFXQJI-UHFFFAOYSA-N 420.531 3.152 0 40 HGAB COc1ccc(Cl)cc1N(CC(=O)NC(C)C)S(=O)(=O)c1ccc(C)cc1 22277174 FUDLEQDWZHDJMJ-UHFFFAOYSA-N 410.923 3.377 0 40 HGAB C[C@H]1C[C@H](C)CN(Cc2csc(NC(=O)CCCNC(=O)c3ccco3)n2)C1 22294531 JPOBYTVXPVXZFD-GJZGRUSLSA-N 404.536 3.363 0 40 HGAB Cc1nc2sccn2c1-c1nnc(SCC(=O)NCc2ccc(F)cc2)n1C 23141421 JDFNQFDMOZTVIV-UHFFFAOYSA-N 416.507 3.047 0 40 HGAB COc1ccc(C)cc1S(=O)(=O)N1CCN(Cc2nc(C(C)(C)C)cs2)CC1 23145004 YFDOLXRIFVRPPD-UHFFFAOYSA-N 423.604 3.264 0 40 HGAB CCOC(=O)c1[nH]c(CN2CCO[C@@H](c3ccc(F)cc3)C2)c(C(=O)OCC)c1C 23186339 GFYLAYWXDBOMED-GOSISDBHSA-N 418.465 3.389 0 40 HGAB COc1ccc([C@H](NC(=O)C[C@H]2Sc3ccccc3NC2=O)c2nccn2C)cc1 24025203 DUZWQBFCZXZUKW-QUCCMNQESA-N 422.510 3.137 0 40 HGAB COc1ccc(CN(C)[C@H](C)c2nc(N)nc(Nc3ccccc3)n2)c(OC)c1OC 24716624 CVEJMNAKQAXVHD-CQSZACIVSA-N 424.505 3.416 0 40 HGAB COCCNC(=O)[C@@H](C)SCc1nc2cc(-c3ccc(F)cc3)sc2c(=O)[nH]1 25689040 CHTLFVGNTTYPAU-LLVKDONJSA-N 421.519 3.175 0 40 HGAB COc1ccc(S(=O)(=O)N(C)Cc2ccc(C)cc2)cc1C(=O)N1CCCCC1 30853364 JCSFFEUSZZDFIN-UHFFFAOYSA-N 416.543 3.450 0 40 HGAB COc1cc2c(cc1OC)CN(C(=O)C1CCN(C(=O)OC(C)(C)C)CC1)CC2 31209838 IFRQTODXTKDYMS-UHFFFAOYSA-N 404.507 3.236 0 40 HGAB COc1ccc(NC(=O)CSc2nnc(COc3ccccc3)n2C)cc1OC 32604122 QTUSQQITNBBLBN-UHFFFAOYSA-N 414.487 3.142 0 40 HGAB CC(=O)c1cccc(N2C(SCc3cccc(F)c3)=N[C@H]3CS(=O)(=O)C[C@@H]32)c1 32639882 ZRHFSMUKCWAJRR-OALUTQOASA-N 418.515 3.303 0 40 HGAB CCc1ccc(NC(=O)CN2CCC3(CC2)N=C(c2ccc(C)c(C)c2)C(=O)N3)cc1 35430665 MRJSZRZLOOYKRT-UHFFFAOYSA-N 418.541 3.216 0 40 HGAB biogenic COc1ccc2c(C)c(CC(=O)Nc3nnc(C(C)(C)C)s3)c(=O)oc2c1OC 36358097 BSMHGUIWSYMTQI-UHFFFAOYSA-N 417.487 3.449 0 40 HGAB COc1ccc(S(=O)(=O)NCCCN2CCO[C@H](c3ccccc3)C2)cc1Cl 36700325 ZSJOAQLDAILFGN-FQEVSTJZSA-N 424.950 3.091 0 40 HGAB O=C(Cc1ccc(C(F)(F)F)cc1)N(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 40039335 MJVAHXNSDVKERG-GOSISDBHSA-N 411.445 3.464 0 40 HGAB O=C(CN1CCN(C(=O)Nc2ccc(SC3CCCC3)cc2)CC1)N1CCCC1 40105014 FWKGHYWIAUBCPX-UHFFFAOYSA-N 416.591 3.493 0 40 HGAB C[C@H](Cc1c(F)cccc1F)NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 40155933 YUUMAEKOAIBAAD-CQSZACIVSA-N 408.470 3.110 0 40 HGAB CCCCOc1ccc(NC(=O)[C@]23CCC(=O)N2c2ccccc2C(=O)N3C)cc1 40313199 PUMUPQHHSDKRKX-QHCPKHFHSA-N 407.470 3.413 0 40 HGAB biogenic O=C1CC(N2C3=[N+](CCCCC3)C[C@]2(O)c2ccc(F)cc2)=NN1c1ccccc1 44033624 DPLZFJJETSTRGS-QHCPKHFHSA-N 407.469 3.022 0 40 HGAB C[C@H](NC(=O)CN1CCN(c2ccccc2Cl)CC1)c1ccc2c(c1)OCCO2 57585288 OJGLUQYLHKJNHN-INIZCTEOSA-N 415.921 3.111 0 40 HGAB COCCn1nnnc1[C@H](c1cccs1)N(Cc1cccnc1)Cc1ccco1 57614001 VZWZRGZCFVSRRK-IBGZPJMESA-N 410.503 3.161 0 40 HGAB NC(=O)C1CCN([C@@H](c2ccc(Cl)cc2)c2nnnn2C2CCCCC2)CC1 57669515 MCNQALHYXJINQS-SFHVURJKSA-N 402.930 3.118 0 40 HGAB O=C(NCc1cccnc1OC1CCCC1)Nc1ccc(C(=O)N2CCOCC2)cc1 58312642 CSHVJGXPDRJMGV-UHFFFAOYSA-N 424.501 3.197 0 40 HGAB Cc1sc(NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)c(C(N)=O)c1C 58365760 YKVKRMHOCSVRJO-UHFFFAOYSA-N 423.450 3.105 0 40 HGAB Cc1cccnc1NC(=O)[C@H]1CCCN(C(=O)C[C@H]2Sc3ccccc3NC2=O)C1 58402283 KNESSJQGCZLPAN-MAUKXSAKSA-N 424.526 3.070 0 40 HGAB O=S(=O)(NC[C@@](O)(c1ccccc1)C1CC1)c1ccc(Br)s1 70968295 WGUMKQNIJJVMAK-OAHLLOKOSA-N 402.335 3.087 0 40 HGAB CC1CCN(c2nc(O)c3c(n2)CN(Cc2ccc(Br)o2)CC3)CC1 72335471 CGVNGYNDJHOFMM-UHFFFAOYSA-N 407.312 3.332 0 40 HGAB Cc1nc(C2CCN(C(=O)C(C)(C)O)CC2)nc2c1CCCN2CCc1ccccc1 72373866 KGOUCAGTJOQIRE-UHFFFAOYSA-N 422.573 3.257 0 40 HGAB O=C(Nc1ccc(N2CCSCC2)c(Cl)c1)N1CCSC[C@H]1CCO 79110617 YDQXXYFAGGRNQX-CQSZACIVSA-N 401.985 3.225 0 40 HGAB C[C@@H](c1nc(-c2nc[nH]n2)no1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 84667729 INIHMUJMUHDMQV-KRWDZBQOSA-N 415.501 3.323 0 40 HGAB O=C(O)c1cc(C(=O)NCc2cc(Br)ccc2F)n(-c2ccccc2)n1 95424306 PAKSPBQXGQRIGE-UHFFFAOYSA-N 418.222 3.402 0 40 HGAB O=S(=O)(c1cnc(Cl)c(Cl)c1)N1CCCC[C@H]1c1nnc2n1CCCC2 95454366 NXDCJAJZNYQLRW-ZDUSSCGKSA-N 416.334 3.232 0 40 HGAB C[C@H](OCC1CC1)C(=O)OCCc1ccccc1COC(=O)[C@@H](C)OCC1CC1 95456171 CODKCRGWDCPSNO-DLBZAZTESA-N 404.503 3.446 0 40 HGAB CNC(=O)[C@H]1CCCN1C(=O)Nc1ccc(CN(C[C@@H]2CCCCO2)C(C)C)cc1 95460782 RTIZAPRRXLLGSQ-LEWJYISDSA-N 416.566 3.208 0 40 HGAB O=C(NC[C@H]1O[C@H](Cc2cc(-c3ccccc3)on2)CC[C@@H]1O)c1ccccc1F 96268976 AMQNRFVMPJGKOR-RBDMOPTHSA-N 410.445 3.362 0 40 HGAB biogenic,in-vitro O=C1[C@@H]2ON=C(c3ccccc3Cl)[C@H]2C(=O)N1c1ccc(Br)cc1 101359368 KJXVBINEFMPFBK-UKRRQHHQSA-N 405.635 3.395 0 40 HGAB CS(=O)(=O)N(CC(=O)N1CCCc2ccccc21)c1ccc(C(F)(F)F)cc1 220047402 GAIWOESRHYWQES-UHFFFAOYSA-N 412.433 3.451 0 40 HGAB CCOc1cccc(N(CC(=O)NCc2cccc3ccccc23)S(C)(=O)=O)c1 222867390 AMRLTQTVWWZKOA-UHFFFAOYSA-N 412.511 3.321 0 40 HGAB COCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(Cl)cc1 222923491 GXSVYHHDMBEGBC-HNNXBMFYSA-N 406.885 3.202 0 40 HGAB CCOCCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)COc1ccccc1 222929971 RIFRLRFDCHJQDQ-GOSISDBHSA-N 416.493 3.165 0 40 HGAB COc1ccc(OC)c([C@@H](C)NS(=O)(=O)c2ccc(N3CCCC3=O)c(C)c2)c1 223072587 RONGMFYLIUFYHS-OAHLLOKOSA-N 418.515 3.179 0 40 HGAB CNC(=O)COc1ccc(S(=O)(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 223277535 BQEWGVTUXAKLGG-UHFFFAOYSA-N 412.467 3.405 0 40 HGAB Cc1ccc(S(=O)(=O)N(C)Cc2ncc(C(=O)Nc3cc(C)cc(C)c3)cn2)cc1 223382055 NTADQBRECWTOGV-UHFFFAOYSA-N 424.526 3.475 0 40 HGAB COc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(C(F)(F)F)cc2)cc1OC 224812094 YMUNFHHQOQZXBI-UHFFFAOYSA-N 419.377 3.003 0 40 HGAB COc1ccccc1[C@@H](C)NC(=O)CN(c1ccc(OC(C)C)cc1)S(C)(=O)=O 224989310 HGQIXANQKJPZMR-MRXNPFEDSA-N 420.531 3.126 0 40 HGAB CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1cccc(COC)c1 225187200 FUPVZKHGZINWFR-LJQANCHMSA-N 406.504 3.025 0 40 HGAB CNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)COc1cccc(C)c1 225494617 UKYFDLPFNMDVRR-HNNXBMFYSA-N 419.319 3.300 0 40 HGAB O=S(=O)(Cc1ccc(C(F)(F)F)cc1)NCC1CCN(c2cccnc2)CC1 225656332 IQPIZMPXHWGPSZ-UHFFFAOYSA-N 413.465 3.436 0 40 HGAB C[C@H](NS(=O)(=O)c1ccc(OCC(=O)NCC(C)(C)C)cc1)c1ccccc1 226087273 VWLFRLZAROSLJY-INIZCTEOSA-N 404.532 3.267 0 40 HGAB C[C@@]12C[C@H](c3ccccc3)N(C(=O)c3ccn(C(F)F)n3)[C@@H]1CCC[C@H](O)[C@@H]2O 257226797 FMFSXAUBCOOELQ-OHHNFCFSSA-N 405.445 3.146 0 40 HGAB Cc1nc(Cn2ccnc2[C@@H]2CN(C(=O)c3cnccn3)Cc3ccccc32)cs1 306140365 UREWXBRKBRXWPF-LJQANCHMSA-N 416.510 3.274 0 40 HGAB CCc1ccc(CN2C[C@H]3Cc4nnc(C(=O)Nc5ccccc5)n4C[C@@H]3C2)cc1 306144297 ZBTPUXQYSXDDDA-UXHICEINSA-N 401.514 3.397 0 40 HGAB Cc1cc(C)n2nc(C)c(C(=O)NC3CCN(Cc4ccc(F)c(F)c4)CC3)c2n1 517099130 GLLJAVZVUUSCBK-UHFFFAOYSA-N 413.472 3.327 0 40 HGAB COCc1cccc(-c2n[nH]c3c2CCN(C(=O)CCc2ccnc(OC)c2)CC3)c1 585110315 DSAFAMNYQDXPBH-UHFFFAOYSA-N 420.513 3.187 0 40 HGAB CC(C)C[C@@H]1NC(=O)C2(CCCCCOC[C@@H](C)NC1=O)CCN(C(C)C)CC2 643581673 PKZCCGQEOKNGAL-UXHICEINSA-N 409.615 3.103 0 40 HGAB CC(C)c1ccc2c(c1)NC(=O)CN1CCN(C(=O)Nc3ccccc3)C[C@H]1CO2 1772594484 FENPTUBCSZJCJM-IBGZPJMESA-N 408.502 3.359 0 40 HGAB O=C(NCC(=O)N1CCC[C@@H]1c1ncc(Cc2ccc(F)cc2)o1)c1ccccc1 1848353969 KLBJMPJOHDOBOR-HXUWFJFHSA-N 407.445 3.498 0 40 HGAB CSc1nc(C2CCOCC2)cc(N2CCN(Cc3csc(C)n3)CC2)n1 1888869760 IYGMMURAZZMOQJ-UHFFFAOYSA-N 405.593 3.180 0 40 HGAB O=C(N=c1cc[nH]cc1)c1nc2c(s1)CCN(C(=O)c1cccc(Cl)c1)CC2 2055793243 FBNLQDNSONWJFN-UHFFFAOYSA-N 412.902 3.107 0 40 HGAB CCOc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3cccc(C)c3C)C2)cc1 1289974 VHPVGPMRJLZCSE-QGZVFWFLSA-N 410.470 3.237 0 40 HGAB Cc1ccc(Nc2nnc(SCC(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)s2)cc1 2617874 OWFFZGFWFMNLKV-UHFFFAOYSA-N 412.500 3.491 0 40 HGAB O=C(COC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1)NCc1cccs1 3480776 NTAOUAUNDWXVIK-UHFFFAOYSA-N 420.446 3.022 0 40 HGAB CC(C)(C)c1ccc(-c2nnc(SCC(=O)NCc3cccs3)n2N)cc1 3529257 PRPWEGMJJMKSNB-UHFFFAOYSA-N 401.561 3.426 0 40 HGAB Cc1ccc(CSc2nc(-c3cccs3)nc3c2c(=O)n(C)c(=O)n3C)cc1 4139191 LCLCSQKPCRTSLW-UHFFFAOYSA-N 410.524 3.356 0 40 HGAB CCC(C)(C)n1nnnc1[C@H](c1cc2ccc(OC)cc2[nH]c1=O)N1CCC[C@H](C)C1 4161875 NRXFMFVUBVTOIA-YWZLYKJASA-N 424.549 3.490 0 40 HGAB CCc1ccc(NC(=O)CN2N=N[C@H]3C(=O)N(c4ccc(C(C)C)cc4)C(=O)[C@@H]32)cc1 4483877 SPUZIUGGDXHMRU-NHCUHLMSSA-N 419.485 3.304 0 40 HGAB COc1cc(Cl)c(C)cc1NC(=O)CSc1nc2[nH]c(=O)cc(O)c2s1 4945382 IJUINUHBAUHDBR-UHFFFAOYSA-N 411.892 3.391 0 40 HGAB CCOC(=O)C1CCN(C(=O)CSc2nnc(Nc3ccccc3C)s2)CC1 5899397 BKRXSSGHSSMGDN-UHFFFAOYSA-N 420.560 3.484 0 40 HGAB COc1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)cc1Br 6287887 RACMHCSGKBRHFK-UHFFFAOYSA-N 404.308 3.462 0 40 HGAB COc1ccc(C)cc1S(=O)(=O)N1CCC[C@@H](C(=O)NC2CCCCCC2)C1 6426405 KHIWETKQYREOOC-QGZVFWFLSA-N 408.564 3.243 0 40 HGAB COc1cc(S(=O)(=O)NCc2ccc(Cl)cc2Cl)ccc1NC(C)=O 6859722 ISQBWOSBLHYCQO-UHFFFAOYSA-N 403.287 3.439 0 40 HGAB C[C@@H](CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)c1ccccc1 7016120 QXAPWJIDMMHYCM-HNNXBMFYSA-N 422.934 3.493 0 40 HGAB CCc1cc2c(SCC(=O)NC[C@@H]3COc4ccccc4O3)ncnc2s1 7019002 JQVAGLPHMVWVSQ-GFCCVEGCSA-N 401.513 3.302 0 40 HGAB CC(C)[C@H](NC(=O)Cn1ncc(=O)c2ccccc21)c1ccc2c(c1)OCCCO2 7245848 FWFVPZFSIHFFIE-QHCPKHFHSA-N 407.470 3.071 0 40 HGAB CCc1cccc(CC)c1NC(=O)COC(=O)CN1C(=O)CCOc2ccccc21 7532277 RPHKFLXUIUCJAL-UHFFFAOYSA-N 410.470 3.109 0 40 HGAB CC(=O)Nc1ccc(NC(=O)CCC(=O)OCC(=O)Nc2ccc(Cl)cc2)cc1 8415097 RGXNEKIHHXZUMW-UHFFFAOYSA-N 417.849 3.199 0 40 HGAB C[C@@H]1C=CC[C@@H]2C(=O)N(c3ccc(C(=O)Nc4cccc(C(=O)O)c4)cc3)C(=O)[C@@H]21 8470362 OGWUWKPTSOZZIM-ZNZDAUKMSA-N 404.422 3.339 0 40 HGAB O=C(COc1ccc(Br)cc1)N(c1ccccc1)[C@@H]1C=CS(=O)(=O)C1 8662704 ZGYJTDXMXBXXPQ-MRXNPFEDSA-N 422.300 3.172 0 40 HGAB COc1ccc(CNC(=O)C2CCN(C(=O)/C=C/c3ccccc3)CC2)cc1OC 8708699 NEEXCLBZKFYVAD-PKNBQFBNSA-N 408.498 3.272 0 40 HGAB CCOC(=O)C1=C(COC(=O)c2cccs2)NC(=O)N[C@H]1c1ccc(Cl)cc1 9498034 GMTQEHJUOMZGAU-INIZCTEOSA-N 420.874 3.430 0 40 HGAB COc1ccc(Cl)cc1CN(C)C(=O)c1cccc(S(=O)(=O)NC2CC2)c1 10279078 XZHDZVJJRULYBC-UHFFFAOYSA-N 408.907 3.062 0 40 HGAB CC1(C)CC(NC(=O)Cc2csc(NC(=O)c3ccccc3)n2)CC(C)(C)N1 10405065 CYDKWVWROZWMJI-UHFFFAOYSA-N 400.548 3.363 0 40 HGAB Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3ccccc3N3CCCC3)C2=O)cc1 12537287 FICFAVYVRUXMEH-HSZRJFAPSA-N 406.486 3.001 0 40 HGAB Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)Nc3ccc4c(c3)NC(=O)CO4)c12 12765063 WEUVTRPJMMFJHV-UHFFFAOYSA-N 403.398 3.120 0 40 HGAB O=C(CCc1ccccc1F)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@H]1CCCO1 12765530 AZUWUAHMIWNLLO-QGZVFWFLSA-N 409.461 3.203 0 40 HGAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 12781419 WVDVYFJSKRPXQK-VFNWGFHPSA-N 412.511 3.232 0 40 HGAB CC(C)N(C(=O)[C@H](C)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1)C(C)C 12855987 MRASICOROVLSON-KRWDZBQOSA-N 402.535 3.386 0 40 HGAB CCCCN(Cc1nc2ccccc2c(=O)[nH]1)S(=O)(=O)c1ccc(C(C)=O)cc1 13059054 VZFNUUNTZOPVRR-UHFFFAOYSA-N 413.499 3.117 0 40 HGAB CCN(CC)C(=O)CN1CCN(C(=O)c2cc3c(s2)-c2ccccc2CC3)CC1 14189233 XUUAIFOJQLXULB-UHFFFAOYSA-N 411.571 3.140 0 40 HGAB CC1CCN(C(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccccc2)CC1 16609156 JQHJODFJSFIOIJ-UHFFFAOYSA-N 400.544 3.179 0 40 HGAB O=C(Nc1ccccc1)[C@H]1CCCN(C(=O)C[C@H]2Sc3ccccc3NC2=O)C1 17824702 NLHGUVXVGUPLHH-HNAYVOBHSA-N 409.511 3.367 0 40 HGAB CC1(C)C[C@@H](C2N3CC4(c5ccccc5)CN2CC(c2ccccc2)(C3)C4O)CCO1 19331522 SKLWFEQPZRPBDH-DYPMPVPJSA-N 418.581 3.399 0 40 HGAB biogenic CC(C)N1CCc2c(O)nc([C@H]3CCCN3C(=O)C3(c4ccccc4)CC3)nc2C1 19448387 POSBZNIBAKXAJO-HXUWFJFHSA-N 406.530 3.344 0 40 HGAB COc1cccc(C(=O)N2CC[C@](Cc3ccccc3-c3cccnc3)(C(N)=O)C2)c1 19564191 AGUNMDDAVDBBMM-RUZDIDTESA-N 415.493 3.318 0 40 HGAB Cc1c(C(=O)Nc2ccc(OCCN3CCCCC3)cc2)sc2nc[nH]c(=O)c12 19717833 QEYKNLXJWHLDSU-UHFFFAOYSA-N 412.515 3.410 0 40 HGAB CCN(CC(=O)N[C@H]1CCCc2ccccc21)S(=O)(=O)c1cc(C)ccc1OC 20014785 BIKXXZNXJTVAJC-IBGZPJMESA-N 416.543 3.208 0 40 HGAB CCc1ccccc1O[C@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 20043213 KAJURNCIGFMPIT-MRXNPFEDSA-N 402.516 3.440 0 40 HGAB O=C(CSc1nc(O)c2c(n1)CCN(Cc1ccccc1)C2)NCc1ccccc1 20467745 DBBOXVSEWNJNGM-UHFFFAOYSA-N 420.538 3.149 0 40 HGAB CS(=O)(=O)N1C[C@H](C(=O)Nc2cc(Cl)cc(Cl)c2)Oc2ccccc21 20494611 NZOXXDIBJNQSHI-OAHLLOKOSA-N 401.271 3.159 0 40 HGAB Cc1cc(NC(=O)COC(=O)c2ccc3c(c2)C[C@@H](c2ccccc2)OC3=O)no1 21543434 DKBMFQVQLOHOAC-SFHVURJKSA-N 406.394 3.233 0 40 HGAB COC(=O)c1cc(NC(=O)c2sc(-c3cccnc3)nc2C)cc(C(=O)OC)c1 22237574 SKWBLOYHBIHZKH-UHFFFAOYSA-N 411.439 3.339 0 40 HGAB CCS(=O)(=O)N(C)c1cc(OC)c(OC)cc1C(=O)Nc1ccc(F)cc1F 22252730 RVQINAURWYOGEU-UHFFFAOYSA-N 414.430 3.020 0 40 HGAB CC(C)C[C@H](NC(=O)[C@H]1CN(S(C)(=O)=O)c2ccccc2O1)c1ccccc1 22527865 ICWZBGRJUOGBCI-FXAWDEMLSA-N 402.516 3.117 0 40 HGAB COc1ccc(-c2csc(NC(=O)[C@H]3CS[C@@]4(C)CCC(=O)N34)n2)cc1OC 23079064 CKWBXOPSALPQDJ-YJYMSZOUSA-N 419.528 3.220 0 40 HGAB Cn1ccnc1[C@H](NC(=O)CSc1nccc(C(F)(F)F)n1)c1ccccc1 25256859 IGUKFMYPJCQXRW-OAHLLOKOSA-N 407.421 3.227 0 40 HGAB Cc1ccc([C@H](C)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1C 26417048 ZVOJXXWTCOQSDR-SFHVURJKSA-N 416.543 3.142 0 40 HGAB Cc1cc(=O)oc2cc(OCC(=O)Nc3cccc(CN4CCCC4=O)c3)ccc12 29286230 KUXMWAXJZYSCGT-UHFFFAOYSA-N 406.438 3.241 0 40 HGAB C[C@H](OC(=O)CCn1nc(-c2cccs2)oc1=O)c1nnc(-c2ccccc2)o1 29746553 WYWQDXBDXVSZEJ-LBPRGKRZSA-N 412.427 3.309 0 40 HGAB COc1ccccc1C(=O)N1CCN(CCCc2nc(-c3ccc(C)cc3)no2)CC1 31237228 WSECRWXZPAZGNK-UHFFFAOYSA-N 420.513 3.444 0 40 HGAB COC(=O)CCCN(C)C(=O)c1cc(-c2ccccc2)c(N2CCOCC2)s1 32278358 COAMQASUAVVADB-UHFFFAOYSA-N 402.516 3.277 0 40 HGAB CN1CCN(c2ccc(NC(=O)COc3ccc(F)cc3Br)cc2)CC1 32675921 ISJNRBKNCVMMBO-UHFFFAOYSA-N 422.298 3.358 0 40 HGAB CC(=O)Nc1ccc(OC(=O)C2CCN(C(=O)c3ccc(F)cc3F)CC2)cc1 32727643 PNFFQWBJHCNYDU-UHFFFAOYSA-N 402.397 3.381 0 40 HGAB CCOc1ccc(NC(C)=O)cc1S(=O)(=O)NCCc1cccc2cccnc12 32900114 OWCURDHNGWTTMA-UHFFFAOYSA-N 413.499 3.113 0 40 HGAB COc1ccc(-c2noc(CCNC(=O)c3ccccc3Br)n2)cc1 33544757 RFVKXLSULLZSIN-UHFFFAOYSA-N 402.248 3.480 0 40 HGAB Cc1cc(=O)n2c(n1)SC[C@@H]2CC(=O)NCc1cc(-c2ccc(Cl)cc2)on1 38752972 GDHJXOSMMYQJPJ-HNNXBMFYSA-N 416.890 3.213 0 40 HGAB CCN(CC(=O)Nc1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(F)cc1 39985766 DTVHSLXJAJHIAU-UHFFFAOYSA-N 400.859 3.137 0 40 HGAB CN(Cc1ccc(Br)cc1)C(=O)[C@H]1CCCN(C(=O)N2CCCC2)C1 40090022 ICIULKZJCSXTON-INIZCTEOSA-N 408.340 3.335 0 40 HGAB O=C(NCc1ccnc(Oc2ccccc2)c1)C1CCN(C(=O)c2cccnc2)CC1 40110610 WFLXBDJYSMSADS-UHFFFAOYSA-N 416.481 3.438 0 40 HGAB Cc1ccc(-c2nnc3sc(NC(=O)COc4ccc(F)cc4)nn23)cc1F 41076579 AQAMVOBXWRXWAH-UHFFFAOYSA-N 401.398 3.457 0 40 HGAB CCOc1cc(C(=O)N(C)CC(=O)Nc2cc(C)on2)ccc1OCc1ccncc1 48260977 BFOYCBHCEAXGOL-UHFFFAOYSA-N 424.457 3.066 0 40 HGAB O=C(CCNC(=O)[C@@H]1CC(c2ccccc2)=NO1)Nc1ccc(Br)cc1 48303025 BQPMPGKCAMVBIF-KRWDZBQOSA-N 416.275 3.087 0 40 HGAB O=C(NC1CCCCC1)c1ccc(NC(=O)N2CCN(c3ccccn3)CC2)cc1 56739738 UUJUQNVNTSHYHQ-UHFFFAOYSA-N 407.518 3.498 0 40 HGAB COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)c2[nH]c3ccc(Cl)cc3c2Cl)C1 57322668 IEYIZXJCQYKZGT-NWDGAFQWSA-N 412.317 3.478 0 40 HGAB Cc1ccc(C(=O)CN2C(=O)N[C@@](C)(c3ccccc3Br)C2=O)cc1 57498350 ACMHRRSGPJJKHB-IBGZPJMESA-N 401.260 3.407 0 40 HGAB COc1ccc(-c2cn(CC(=O)Nc3ccccc3OC)nc2N2CCOCC2)cc1 62006910 XHJXWFMCGPIKCN-UHFFFAOYSA-N 422.485 3.043 0 40 HGAB CCOC(=O)[C@@](C)(NCC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccco1)C(C)C 72308604 BKZMGJSMYVXBBE-IERDGZPVSA-N 401.463 3.118 0 40 HGAB CCS(=O)(=O)Nc1ccccc1C1=NN(C(C)=O)[C@@H](c2ccc(OC)cc2)C1 72314561 MQCAQWALGKYGMD-HXUWFJFHSA-N 401.488 3.154 0 40 HGAB CC(=O)N1CCC[C@H](c2ccccc2CC2(C(N)=O)CCN(C3CCCC3)CC2)C1 72372434 GTLCCBPJLIFCEI-NRFANRHFSA-N 411.590 3.465 0 40 HGAB Cn1nc(-c2ccc(F)cc2)cc1C(=O)NCCCN1CCN(c2ccccc2)CC1 77200794 WYRZNNFAWRKFDT-UHFFFAOYSA-N 421.520 3.168 0 40 HGAB CC(=O)N1CCCc2cc(S(=O)(=O)N3c4ccccc4N(C)CC[C@H]3C)ccc21 79103879 IJEMYYPERSSONM-MRXNPFEDSA-N 413.543 3.409 0 40 HGAB Cc1ccc(CN(C)C(=O)c2cccc(-c3nnc(CS(C)(=O)=O)o3)c2)c(C)c1 95465138 JOIMQFFRPVIWDX-UHFFFAOYSA-N 413.499 3.170 0 40 HGAB COc1ccccc1C(=O)NCCC(=O)N[C@@H](CCc1ccccc1)C(F)(F)F 95465878 YAQCZLIVVHLPLV-SFHVURJKSA-N 408.420 3.495 0 40 HGAB Cc1ccc(/N=c2\scc(-c3ccc4c(c3)CCN4S(C)(=O)=O)n2C)nc1 101718627 OQORCYNDCWRPHS-VZCXRCSSSA-N 400.529 3.012 0 40 HGAB CCOC(=O)C1CCN([C@@H]2CC(=O)N(c3ccc(Oc4ccccc4)cc3)C2=O)CC1 104278530 LGICXQNMFARDRV-OAQYLSRUSA-N 422.481 3.386 0 40 HGAB CCC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 107927581 PTEFWHOCELMIOW-MRXNPFEDSA-N 402.516 3.122 0 40 HGAB CCc1ccccc1NC(=O)CCC(=O)OCC(=O)Nc1ccc(OC)cc1OC 138590421 GNTIRZMRJPHVHW-UHFFFAOYSA-N 414.458 3.167 0 40 HGAB CC[C@@H](C(=O)N[C@H](C)c1ccc(OC)c(OC)c1)N(c1ccccc1)S(C)(=O)=O 216272384 HMTNCPMWEFSMHS-QAPCUYQASA-N 420.531 3.126 0 40 HGAB Cc1cccc(CNC(=O)C2CCN(S(=O)(=O)CCCc3ccccc3)CC2)c1 218786360 CNHZOFMFWHETNF-UHFFFAOYSA-N 414.571 3.286 0 40 HGAB Cc1ccc(CNC(=O)[C@H](C)N(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1 220192937 DEOVONOXYKGJBP-AWEZNQCLSA-N 414.449 3.485 0 40 HGAB CCOC(=O)c1ccc(NC(=O)[C@@H](CC)N(c2cccc(C)c2)S(C)(=O)=O)cc1 220496468 OXACBUUGHVRVKT-LJQANCHMSA-N 418.515 3.355 0 40 HGAB CCc1ccc(N(CCCC(=O)NCCSCc2ccco2)S(C)(=O)=O)cc1 222642887 LUHPOXDTWRZNPA-UHFFFAOYSA-N 424.588 3.438 0 40 HGAB CNC(=O)/C=C/c1ccc(S(=O)(=O)Nc2ccc(Br)cc2F)cc1 223289535 RWOAKZLXDDTQGW-RUDMXATFSA-N 413.268 3.148 0 40 HGAB COC(=O)CSc1nnc(NC(=O)[C@@H](C)Oc2cccc3c2CCCC3)s1 223466310 ODXKWZZDJCVFST-LLVKDONJSA-N 407.517 3.088 0 40 HGAB CCOc1ccc(-c2noc(CNS(=O)(=O)c3ccc(SC)cc3)n2)cc1 223589578 USOVDUYYUZVVOE-UHFFFAOYSA-N 405.501 3.336 0 40 HGAB CC[C@H](C(=O)NCCOc1cc(C)cc(C)c1)N(c1ccccc1F)S(C)(=O)=O 224101600 QZPHFAPJHMQKHZ-LJQANCHMSA-N 422.522 3.182 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCSC3CCCC3)C2)cc1 225530774 YAAKKAGDWNUHFF-QGZVFWFLSA-N 410.605 3.188 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC(N3CCc4sccc4C3)CC2)cc1F 225689998 OAYVPCNKXVKVOC-UHFFFAOYSA-N 410.536 3.107 0 40 HGAB COc1ccc(CNC(=O)[C@@H]2[C@@H]3CC[C@]4(CC(=O)c5ccccc5O4)[C@H]32)c(OC)c1 248139615 PHXGGWLKETVAGS-UTWPSFJPSA-N 407.466 3.380 0 40 HGAB Cc1ccc([C@H](C)NC(=O)[C@H](C)Oc2ccc(N(C)S(C)(=O)=O)cc2)cc1C 260761156 FPZVVFHVWVZPAQ-IRXDYDNUSA-N 404.532 3.344 0 40 HGAB COc1ccc(N([C@H](C)C(=O)NCC2CCCCC2)S(C)(=O)=O)cc1Cl 260844195 GQJRZSPCFWHCMP-CYBMUJFWSA-N 402.944 3.200 0 40 HGAB COc1ccc(C(=O)N2CCC(C)CC2)cc1S(=O)(=O)NCCc1ccccc1 408713473 AMOADSBOGVEJDE-UHFFFAOYSA-N 416.543 3.088 0 40 HGAB CCCCS(=O)(=O)N1CCC(C(=O)NCc2ccc(F)cc2C(F)(F)F)CC1 515296695 ITGROJUAMNCBOY-UHFFFAOYSA-N 424.460 3.303 0 40 HGAB CN1CCN(Cc2ccc(NC(=O)c3c[nH]nc3-c3c(F)cccc3F)cc2)CC1 532007901 AONWTBBAUVIHQD-UHFFFAOYSA-N 411.456 3.355 0 40 HGAB CN(C[C@H]1CCCCN1Cc1ccccc1)C(=O)c1cccc(CS(C)(=O)=O)c1 1636341862 GOQZOTIBMRFRED-JOCHJYFZSA-N 414.571 3.358 0 40 HGAB COc1ccc(CN2CC3(CCC2=O)CCN(C(=O)CCc2ccc[nH]2)CC3)cc1 2055796182 LTJSOFJYIPFCEY-UHFFFAOYSA-N 409.530 3.387 0 40 HGAB CCOc1cc(C(=O)NC(=S)NCc2cccnc2)cc(OCC)c1OCC 887728 AEZCAJAUIBGXHQ-UHFFFAOYSA-N 403.504 3.082 0 40 HGAB O=C1c2ccccc2C(=O)N1CC(=O)N(C(=O)NC1CCCCC1)C1CCCCC1 1727799 UVYCKLKINZCJTG-UHFFFAOYSA-N 411.502 3.486 0 40 HGAB CCN(CC)C(=O)Cn1cc(C(=O)C(=O)NCc2ccc(C)cc2)c2ccccc21 3007594 LRYBIAKGLPOIHJ-UHFFFAOYSA-N 405.498 3.317 0 40 HGAB O=C(c1cc2c(s1)CCCCC2)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 3459484 VNHZVTQRRDUCBK-UHFFFAOYSA-N 422.547 3.303 0 40 HGAB Cc1ccc2c(COC(=O)c3cccc(N4C(=O)CCC4=O)c3)cc(=O)oc2c1C 4352233 AMOKJKAPMMCRQS-UHFFFAOYSA-N 405.406 3.420 0 40 HGAB Cc1ccc(NC(=O)C[S@](=O)CC(=O)N[C@H](C)CCc2ccco2)cc1Cl 4355079 MIKYFTKIPFTRAX-ASHKIFAZSA-N 410.923 3.066 0 40 HGAB aggregator CCCc1ccc(C(=O)CCC(=O)O[C@@H](C)C(=O)Nc2ccc(C(N)=O)cc2)cc1 4515594 YCBMTJJWCBOAQA-HNNXBMFYSA-N 410.470 3.271 0 40 HGAB Cc1nnc(NC(=O)CSc2ccc(-c3ccc(-n4cccn4)cc3)nn2)s1 5143366 AQCOBSWHBBHFFE-UHFFFAOYSA-N 409.500 3.220 0 40 HGAB Cc1cc(O)c(-c2[nH]nc3c2[C@@H](c2cccc(O)c2)N(CCCO)C3=O)cc1Cl 5343592 RDLYOBNTXHLYHK-HXUWFJFHSA-N 413.861 3.377 0 40 HGAB CCOc1ccc(-c2csc(NC(=O)CN3C(=O)c4ccccc4C3=O)n2)cc1 5653555 LTLXQYVOUOEMLT-UHFFFAOYSA-N 407.451 3.444 0 40 HGAB COc1cc(-c2n[nH]c(=S)n2-c2ccc3c(c2)OCCO3)cc(OC)c1OC 6136340 LOWOPBLAINIXGR-UHFFFAOYSA-N 401.444 3.394 0 40 HGAB Cc1ccc2c(c1)[C@@](O)(c1c(C)nn(-c3ccccc3C(F)(F)F)c1N)C(=O)N2 6934797 BZCCRENKGRLZEB-LJQANCHMSA-N 402.376 3.278 0 40 HGAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CCCSc1ccccc1 7007651 CUILDMOQPKUXDQ-UHFFFAOYSA-N 408.545 3.457 0 40 HGAB COc1cccc(CNC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)c1 7802670 VDFBYUXLEBRPOG-UHFFFAOYSA-N 402.516 3.108 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N[C@H]2CCCc3ccccc32)cc1 7807524 PLYRYMOEUAAXPJ-SFTDATJTSA-N 414.527 3.042 0 40 HGAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)NCc2ccccc2)cc1Cl 7881270 LUVOQSQMXWBZSH-UHFFFAOYSA-N 410.923 3.066 0 40 HGAB O=C(COC(=O)c1ccccc1SCC(=O)N1CCCC1)NC1CCCCC1 7982205 UMKDFCSUJPUQPR-UHFFFAOYSA-N 404.532 3.007 0 40 HGAB Brc1ccc(-c2nnc(COc3cccc(-n4cnnn4)c3)o2)s1 8224011 ILXHIJMXVWQRMI-UHFFFAOYSA-N 405.237 3.115 0 40 HGAB COc1ccc(C(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)cc1S(=O)(=O)N(C)C 8313764 ZDIQHKVBTGZZIZ-IBGZPJMESA-N 422.934 3.480 0 40 HGAB O=C(Nc1ccc(S(=O)(=O)NCc2ccco2)cc1)C1=Cc2ccccc2OC1 8325718 KDXVLTGILYZMFB-UHFFFAOYSA-N 410.451 3.173 0 40 HGAB Cc1cc(NC(=O)COC(=O)CCC(=O)Nc2ccc(Cl)c(Cl)c2)no1 8412474 JGBIPBWHPHOQEJ-UHFFFAOYSA-N 400.218 3.190 0 40 HGAB CC[C@H](Oc1ccccc1)C(=O)Nc1nnc(S(=O)(=O)Nc2ccccc2)s1 8588127 WSWNVAUQYMGQBI-HNNXBMFYSA-N 418.500 3.135 0 40 HGAB COc1cccc(CN(C(=O)c2ccc(OC)c(Cl)c2)[C@@H]2CCS(=O)(=O)C2)c1 8917193 OXQJDVCVXWYAHB-MRXNPFEDSA-N 423.918 3.187 0 40 HGAB C[C@H](Sc1nnc(COc2ccccc2F)n1N)C(=O)Nc1ccc(Cl)cc1 9500584 MQYJFJINMALJQT-NSHDSACASA-N 421.885 3.483 0 40 HGAB Cn1c(SCC(=O)Nc2ccc(Cl)cn2)nnc1[C@@H]1COc2ccccc2O1 9509633 BGHKIQMONNUKOU-AWEZNQCLSA-N 417.878 3.107 0 40 HGAB O=C(NCc1nnnn1-c1ccc(F)c(F)c1)C1c2ccccc2Oc2ccccc21 9570955 QBOHSOHYUBIDCM-UHFFFAOYSA-N 419.391 3.495 0 40 HGAB O=C(/C=C/c1ccccc1Cl)Nc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 9698588 YIAHRXZWWIIHHF-SNQZOLJRSA-N 420.918 3.449 0 40 HGAB O=C(Nc1ccc(N2CCCC2)cc1)C1CCN(S(=O)(=O)c2ccccc2)CC1 10429146 RXCZFFSXPODMJW-UHFFFAOYSA-N 413.543 3.326 0 40 HGAB COc1ccc(N(CC(=O)N2CCC[C@H](C)C2)S(=O)(=O)c2ccccc2)cc1 10541146 HRMWHBJTLXQIKO-KRWDZBQOSA-N 402.516 3.149 0 40 HGAB O=C(c1ccc(Cl)cc1)N1CCC2(CC1)NC(=O)N(Cc1ccc(F)cc1)C2=O 11694049 LOLPBNLXYROTFO-UHFFFAOYSA-N 415.852 3.206 0 40 HGAB CCn1/c(=N\C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)sc2cc(C)ccc21 11726358 CJEFZCQTKKJJHZ-FMQUCBEESA-N 403.529 3.023 0 40 HGAB CC(C)c1ccc(NC(=O)c2cccc(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)c2)cc1 12030528 MOCIJEQFSVLADR-IBGZPJMESA-N 421.540 3.023 0 40 HGAB Cc1ccc2occ(CN3C[C@H]4CC[C@]5(NC(=O)c6ccccc6N5)[C@H]4C3)c(=O)c2c1 12086059 IINMONJLUSTBPW-BXEPQMNJSA-N 415.493 3.495 0 40 HGAB CCCc1nn(CC(=O)N(Cc2ccncc2)C2CC2)c(=O)c2cc3ccsc3n12 12117618 JCTJUZCGOJIBTF-UHFFFAOYSA-N 421.526 3.249 0 40 HGAB CC(C)N1CCc2nc3cc(C(=O)N[C@@H](C)c4cccs4)ccc3c(=O)n2CC1 12187097 NNLDRCISONXLBL-HNNXBMFYSA-N 410.543 3.216 0 40 HGAB O=C(CCc1ccccc1F)N1CCC([C@@H]2C[C@H](C(F)F)n3ncnc3N2)CC1 12407888 XOIUNUDNYKOVNR-DLBZAZTESA-N 407.440 3.279 0 40 HGAB Cc1cc(C)c(S(=O)(=O)N2CCN(Cc3cnn(-c4ccccc4)c3)CC2)c(C)c1 12568173 HJVSQTIPSZEKKO-UHFFFAOYSA-N 424.570 3.304 0 40 HGAB O=C(NCC1(N2CCCCC2)CCCCC1)c1ccc(S(=O)(=O)NC2CC2)cc1 12870154 VVPDCLMVJYRWAF-UHFFFAOYSA-N 419.591 3.046 0 40 HGAB Cc1c(-c2ccccc2)sc(NC(=O)C2=COCCO2)c1C(=O)N1CCOCC1 12926948 AOGLEDGFBOTGQM-UHFFFAOYSA-N 414.483 3.023 0 40 HGAB O=C(COC(=O)CNC(=O)c1ccc(Cl)cc1Cl)NC1CCCCCCC1 12997296 UXPNPMYMARBJIQ-UHFFFAOYSA-N 415.317 3.496 0 40 HGAB CCN(C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)c1ccccc1C 13002517 ZWZANAFXFWOXEG-UHFFFAOYSA-N 422.934 3.336 0 40 HGAB CC(C)CNC(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1 13680802 CGENCSLMXIUWSO-UHFFFAOYSA-N 407.363 3.307 0 40 HGAB COc1cc(OC)c(OC)cc1/C=C1\CCn2c1nc1cc(C(=O)O)ccc1c2=O 14109551 BFAAXULBCXAKNG-XYOKQWHBSA-N 408.410 3.065 0 40 HGAB O=C(CSc1nc(C2CC2)n[nH]1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 14805362 GRYFLCKTJJWBSE-UHFFFAOYSA-N 411.453 3.142 0 40 HGAB CCS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)c3ccc(F)cc3C)cc21 15781517 PLUXPCMFEBZWKR-UHFFFAOYSA-N 412.508 3.037 0 40 HGAB C[C@H](CCc1ccccc1)NC(=O)[C@H]1[C@@H]2C(=O)N(c3ccccc3)C[C@]23C=C[C@H]1O3 15894305 DOQJCMSPVWOHSQ-MBICXCLHSA-N 402.494 3.111 0 40 HGAB biogenic CCNS(=O)(=O)c1cc(C(=O)Nc2ccc(Br)cc2)ccc1OC 16681836 NNGDTIMWYFYFBE-UHFFFAOYSA-N 413.293 3.008 0 40 HGAB COC(=O)c1ccccc1NC(=O)Cn1cnc2c(sc3cccc(F)c32)c1=O 16942467 YJCKKNJJLYGSDD-UHFFFAOYSA-N 411.414 3.176 0 40 HGAB CCS(=O)(=O)N1CCCc2ccc(NC(=O)c3ccc(Br)o3)cc21 17316283 AWYVUNGICQILBG-UHFFFAOYSA-N 413.293 3.397 0 40 HGAB Cn1ccnc1[C@H](c1ccccc1)N1CCN(C(=O)[C@@H]2CCN2C2CCCCC2)CC1 19291296 ATHZOPWLUAKWTM-GOTSBHOMSA-N 421.589 3.061 0 40 HGAB CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCCN3C(=O)Cc3nonc3C)cc2N1 19520717 ZYGBXDLYKDWGTB-BYCMXARLSA-N 412.416 3.178 0 40 HGAB Cc1ccn2c(CN3CCC(c4nc(C)c5c(n4)N(C)C(=O)CC5)CC3)c(C)nc2c1 19739345 MVXVUOMXCGJUCV-UHFFFAOYSA-N 418.545 3.338 0 40 HGAB COC(=O)C1=C(C)N(c2ccccc2)C(=O)C[C@H]1C(=O)Nc1ccc(F)c(F)c1 19819065 ODUOKNBNOKSUAT-OAHLLOKOSA-N 400.381 3.403 0 40 HGAB CC(C)c1ccccc1NC(=O)CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O 20824037 XHMDBIIRUCIRTM-HXUWFJFHSA-N 404.470 3.393 0 40 HGAB CCCCCOC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1ccccc1Br 20946162 AHAJRPNJVPLYIZ-OAHLLOKOSA-N 406.284 3.458 0 40 HGAB O=C(CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O)OCc1nc2ccccc2s1 22096494 SEGHLBNIPDFLRG-JOCHJYFZSA-N 421.478 3.123 0 40 HGAB Cc1nc(Nc2ccc(F)cc2)sc1C(=O)Nc1ccc(S(N)(=O)=O)cc1 22245927 HUVCCRZGMIZEJB-UHFFFAOYSA-N 406.464 3.234 0 40 HGAB COc1ccccc1[C@H](CNC(=O)c1nn(-c2ccccc2)nc1C)N1CCCC1 22679678 REWWHWRFBPWYFY-FQEVSTJZSA-N 405.502 3.151 0 40 HGAB Cc1cc(CN2CCN(Cc3nc4sc(-c5ccccc5)cc4c(=O)[nH]3)CC2)no1 22774393 COWMINIFAVOMJZ-UHFFFAOYSA-N 421.526 3.266 0 40 HGAB O=C(CN1CCN(CCc2ccccc2)CC1)Nc1ccccc1Br 22915980 CXDZJQYFDDJJMV-UHFFFAOYSA-N 402.336 3.248 0 40 HGAB COc1ccc(Cn2nnnc2[C@@H](C(C)C)N2CCN(C3CCCCC3)CC2)cc1 22929429 DSVONBMUUUPUAR-JOCHJYFZSA-N 412.582 3.377 0 40 HGAB C[C@H](NCC1(N2CCOCC2)CCCCC1)C(=O)Nc1ccc(OC(F)F)cc1 22930458 QZHALJMTSGDTLW-INIZCTEOSA-N 411.493 3.240 0 40 HGAB CCOc1cc2c(cc1NS(=O)(=O)c1ccc3oc(=O)ccc3c1)O[C@@H](C)C2 23015761 UDCNJJMBXGKOPZ-LBPRGKRZSA-N 401.440 3.316 0 40 HGAB CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N(C)Cc1cccc(F)c1 23598780 FDPUNMHUWVAWLU-IBGZPJMESA-N 424.563 3.193 0 40 HGAB CC(=O)N1CCC[C@@H](C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)C1 24061128 PEXPSQKPCGPNHD-HSZRJFAPSA-N 405.542 3.179 0 40 HGAB O=C(Nc1ccc(-n2ncnn2)cc1)c1cc(=O)c2cc(Cl)cc(Cl)c2o1 27750300 ZJTXVYISNCCBIA-UHFFFAOYSA-N 402.197 3.328 0 40 HGAB Cc1nc(C)c2c(N)c(C(=O)OCC(=O)Nc3ccc(F)c(F)c3F)sc2n1 29212193 SAMURZYYUAIRIQ-UHFFFAOYSA-N 410.377 3.103 0 40 HGAB O=S(=O)(c1ccc(Br)cc1)N1CCCN(Cc2cccs2)CC1 30383352 AMTJOPKYOMOMHH-UHFFFAOYSA-N 415.378 3.407 0 40 HGAB CC(C)CNC(=O)c1ccccc1NC(=O)c1ccc(NS(C)(=O)=O)cc1Cl 30861039 SJPFMPNXDYOFDV-UHFFFAOYSA-N 423.922 3.350 0 40 HGAB CCOC(=O)N1CCN([C@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)CC1 32799848 HORMZRVJVVQWNR-CHWSQXEVSA-N 402.322 3.333 0 40 HGAB O=C(Nc1ccccc1Cc1ccccc1)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1 32908262 GQQZKOSLBWIESL-UHFFFAOYSA-N 412.449 3.263 0 40 HGAB Cc1ccc(-c2csc3ncn(NC(=O)[C@H]4COc5ccccc5O4)c(=O)c23)cc1 32985978 LGHJMHHIOCWPAQ-GOSISDBHSA-N 419.462 3.344 0 40 HGAB CCc1ccccc1Nc1nc(N)nc(CN(C)C[C@H]2COc3ccccc3O2)n1 33039544 AQLJYSPSGPMSEI-INIZCTEOSA-N 406.490 3.032 0 40 HGAB CC1=C2C[C@@H]3[C@@H](CN4CCN(C(=O)c5ccco5)CC4)C(=O)O[C@@H]3C[C@]2(C)CCC1 33925138 UFAAOAUAAMIQQW-FQBFJXBRSA-N 412.530 3.496 0 40 HGAB CCC[C@@H](c1nnnn1CCOC)N1CCN(c2cccc(C(F)(F)F)c2)CC1 35290731 YGAKMUNXIZNJOQ-KRWDZBQOSA-N 412.460 3.002 0 40 HGAB Cc1cccc(CN2CCC(C(=O)NCc3ccc(CN4CCOCC4)cc3)CC2)c1 38831223 MYJNFISKPCAUEF-UHFFFAOYSA-N 421.585 3.356 0 40 HGAB O=C(Nc1ccc(-c2nnnn2C2CC2)cc1)N1CCN(c2ccc(F)cc2)CC1 40104603 HIIRDQVTESCNNF-UHFFFAOYSA-N 407.453 3.168 0 40 HGAB COc1ccc(NC(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)cc1S(=O)(=O)N(C)C 40141349 JVSNNWYGJBTMIH-NEPJUHHUSA-N 408.442 3.253 0 40 HGAB CNC(=O)[C@@H](NC(=O)c1cc(-c2ccc(Br)cc2)n[nH]1)c1ccccc1 40152028 ZSIYCWONMZACGK-KRWDZBQOSA-N 413.275 3.056 0 40 HGAB C[C@H]1Oc2ccc(NC(=O)c3cc(-c4ccc5c(c4)OCCO5)on3)cc2N(C)C1=O 41155916 IWNGTIKLCSCAMD-GFCCVEGCSA-N 421.409 3.109 0 40 HGAB COc1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 44883256 JQMIEYSTDUIVKH-IBGZPJMESA-N 416.543 3.308 0 40 HGAB O=C(NC[C@@H]([C@@H]1CCOC1)N1CCOCC1)Nc1ccc(Cl)c(C(F)(F)F)c1 48287089 XUHRLTPEVOGWRX-WBMJQRKESA-N 421.847 3.218 0 40 HGAB CN1CCN(Cc2cccc(NC(=O)/C=C/c3c(Cl)nc4ccccn34)c2)CC1 57054196 OLAWOUHWSFIQGB-CMDGGOBGSA-N 409.921 3.387 0 40 HGAB CC(C)OC(=O)c1nnc2sc(-c3cccc(I)c3)nn12 57338977 BFICJTBRVLQHEX-UHFFFAOYSA-N 414.228 3.023 0 40 HGAB CCOC(=O)[C@H]1CCCN(C(=O)Cn2cccc2-c2nc(-c3ccc(C)cc3)no2)C1 57486854 NRKVFXKQHRDMPV-SFHVURJKSA-N 422.485 3.315 0 40 HGAB Cc1cc(-n2c(=O)c3sccc3n(CC(=O)N(C)c3ccccc3)c2=O)ccc1F 57494453 WVULSCWBRJYTBZ-UHFFFAOYSA-N 423.469 3.324 0 40 HGAB CCOC(=O)[C@@H]1CCCN(c2nccn3nc(-c4ccc(OC)c(OC)c4)cc23)C1 67285290 ABUFTIYRNHYPQG-MRXNPFEDSA-N 410.474 3.193 0 40 HGAB O=C(O)[C@H]1COC2(CCN(Cc3ccccc3)CC2)N1C(=O)CCC1CCCC1 71980695 SHMHWJOHYRBUHW-HXUWFJFHSA-N 400.519 3.261 0 40 HGAB Cn1cc(C(=O)N2CCC[C@H]2c2nc(N)ncc2-c2ccc(Cl)cc2)ccc1=O 72354911 OXVTXSLSLVIPAQ-KRWDZBQOSA-N 409.877 3.055 0 40 HGAB Cc1ccnn1CCNC(=O)C1(Cc2cccc([C@@H]3CCCN(C)C3)c2)CCOCC1 72372225 WAINUXBZYLSARP-HSZRJFAPSA-N 424.589 3.156 0 40 HGAB COc1ccc(CN2CC[C@H](NC(=O)Cc3ccc(OC(F)(F)F)cc3)C2=O)cc1 78813715 FVQSCZBEUAOOSM-SFHVURJKSA-N 422.403 3.054 0 40 HGAB Cn1cc(Nc2cccc(NC(=O)c3ccc(Cl)c(NS(C)(=O)=O)c3)c2)cn1 78994871 UMHAQQZHKGJKQY-UHFFFAOYSA-N 419.894 3.441 0 40 HGAB COCCn1cc(CCC(=O)Nc2cccc(-c3nnn(C)n3)c2)c2ccccc21 79479681 FFPUFSXZXSBQQL-UHFFFAOYSA-N 404.474 3.050 0 40 HGAB COc1ccc(CCN2C(=O)N[C@@H](CCC(=O)Nc3cccc4[nH]ccc34)C2=O)cc1 96221026 IWZJAOZVSQAATH-FQEVSTJZSA-N 420.469 3.058 0 40 HGAB biogenic O=C(O)CC12C[C@H]3C[C@H](C1)CC(n1ncc(NC[C@@H]4CCCO4)c(Cl)c1=O)(C3)C2 101094869 DVBMTEUIDSJCBO-CZNFOMIPSA-N 421.925 3.258 0 40 HGAB O=C(COC(=O)c1cccc(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)c1)c1ccc(F)cc1 101226704 CRELWSXYFUAELB-PBFVBANWSA-N 421.424 3.401 0 40 HGAB Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H](C(=O)c2ccc(Cl)cc2)N2CCC[C@H]32)cc1 101242165 DNFVZNPHOQSYCX-WTGUMLROSA-N 408.885 3.484 0 40 HGAB O=C1[C@H]2ON=C(c3ccc(Cl)cc3Cl)[C@@H]2C(=O)N1c1ccc2c(c1)OCCO2 102559453 VMNOQPPQVXIYII-RDJZCZTQSA-N 419.220 3.057 0 40 HGAB CC[C@@H](NC(=O)[C@H]1CN(S(=O)(=O)CC)c2ccccc2O1)c1ccc(C)c(C)c1 218794525 HFMDPWRUHLMTDK-WIYYLYMNSA-N 416.543 3.488 0 40 HGAB CCOc1ccccc1CCCNC(=O)CCCN(c1ccccc1)S(C)(=O)=O 219168368 UJJDFIAMDBZTGX-UHFFFAOYSA-N 418.559 3.381 0 40 HGAB CCOC(=O)c1ccccc1NC(=O)[C@H](C)N(c1ccc(CC)cc1)S(C)(=O)=O 220264121 GTXYLXCIPDGZFI-HNNXBMFYSA-N 418.515 3.219 0 40 HGAB CC[C@H](C(=O)NCCCc1ccc(C)cc1)N(c1ccc(OC)cc1)S(C)(=O)=O 220653829 JGCQXYBNPYRNLX-OAQYLSRUSA-N 418.559 3.297 0 40 HGAB Cc1cccc(OCCNC(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)c1 223632425 WHGCWHZVGQTASK-UHFFFAOYSA-N 404.532 3.080 0 40 HGAB C[C@@]12C[C@H](c3ccccc3)N(C(=O)c3ccn(C(F)F)n3)[C@@H]1CCC[C@@H](O)[C@@H]2O 257226796 FMFSXAUBCOOELQ-DKLJTFSYSA-N 405.445 3.146 0 40 HGAB CC(=O)N[C@H]1CC[C@](CNC(=O)c2ccc(Cl)cc2)(c2ccccc2)CC[C@@H]1O 257302242 SCCBXHBUQGCRJA-FUDKSRODSA-N 414.933 3.447 0 40 HGAB Cc1cccc(CN2C[C@@H](c3cn(C(C)C)cn3)[C@]3(CCN(CC4CC4)C3=O)C2)n1 306136944 QHECZGXJEKIDMM-URXFXBBRSA-N 407.562 3.396 0 40 HGAB Cc1cc(CN2CCC[C@@]3(CN(C(=O)c4ccccc4)CC(F)(F)C3)C2=O)n(C)n1 306144513 ZHIVLDZBGLGUMS-OAQYLSRUSA-N 416.472 3.019 0 40 HGAB CCOC(=O)Nc1cc(S(=O)(=O)Nc2cc(OC)ccc2OC)ccc1OCC 408585337 DXAMRAAPIHYBGR-UHFFFAOYSA-N 424.475 3.472 0 40 HGAB C[C@H](C(=O)O)N1C(=O)[C@@H]2[C@@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 408670941 YOTXEOIPMAPHDO-LTXZMVRDSA-N 416.260 3.053 0 40 HGAB CCCOc1ccc(N2C[C@H](C(=O)N3CCN(Cc4ccccc4)CC3)CC2=O)cc1 408709181 YJJXVDFIYBZKRX-OAQYLSRUSA-N 421.541 3.173 0 40 HGAB O=c1/c(=C/c2cc(Br)c(N3CCCC3)o2)sc2nc3ccccc3n12 408819387 QOTKJJDNAPPXNC-GDNBJRDFSA-N 416.300 3.413 0 40 HGAB CCn1c(CNC(=O)c2ccccc2)nnc1SCC(=O)Nc1ccc(C)cc1 409153285 MPEDEPCNZYLGEQ-UHFFFAOYSA-N 409.515 3.267 0 40 HGAB Cc1nn(-c2ncnc3[nH]cnc23)c2c1[C@@H](c1ccc(OCC(C)C)cc1)CC(=O)N2 524732722 WVHRZTDIOBMOBE-MRXNPFEDSA-N 417.473 3.356 0 40 HGAB CCN(CC)S(=O)(=O)N1CCC(c2cccc(Nc3ncc(C)s3)n2)CC1 643551151 YPBFGACXBPFQAQ-UHFFFAOYSA-N 409.581 3.356 0 40 HGAB COc1ccc(C)cc1-c1ccc2c(c1)CN1CCC[C@@H](C1)C(=O)NCCOCCO2 643572000 XZZZESWLDAPNCA-FQEVSTJZSA-N 424.541 3.408 0 40 HGAB O=C(CCc1ccccc1)N[C@@H]1CCC12CCN(C(=O)c1cnn3ccccc13)CC2 1614935319 ZZWHSBVPGLPGJV-JOCHJYFZSA-N 416.525 3.468 0 40 HGAB CN(C(=O)c1cncc(N2CCCC2)n1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O 1633247286 WSIYFPIVIAVPOI-AEFFLSMTSA-N 407.301 3.114 0 40 HGAB C[C@H]1CN(CCSc2nc3ccccc3c(=O)n2-c2ccc(F)cc2F)CCO1 1640644746 KPYNKYSZLGHQRT-AWEZNQCLSA-N 417.481 3.477 0 40 HGAB Cc1ccc(N(CC(=O)NCc2ccccn2)S(=O)(=O)c2ccc(F)cc2)cc1 853195 QKZTZBWWOAOBME-UHFFFAOYSA-N 413.474 3.041 0 40 HGAB COc1ccc(CN2C(=S)N(C)C(=O)[C@@H]2CC(=O)Nc2ccccc2Cl)cc1 1421166 VMJJDEJSNMWFIJ-KRWDZBQOSA-N 417.918 3.305 0 40 HGAB CC(C)Cc1nc2oc3c(N(C[C@@H](C)O)C[C@@H](C)O)ncnc3c2c2c1CCCC2 2431556 JQSTUMKTULWGSB-HUUCEWRRSA-N 412.534 3.416 0 40 HGAB O=C(COC(=O)c1cccnc1Nc1ccccc1F)NC(=O)NC1CCCCC1 2636474 CVUIXKPMWJHISA-UHFFFAOYSA-N 414.437 3.280 0 40 HGAB COc1ccc(-n2c(S[C@@H]3CCOC3=O)nc3ccccc3c2=O)cc1Cl 3294054 SUPVKMYHSHKWGT-MRXNPFEDSA-N 402.859 3.455 0 40 HGAB C[C@H]1CCC[C@H](C)N1C(=O)COC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1 3421333 WCGVHGAIOIRAML-HOTGVXAUSA-N 420.465 3.434 0 40 HGAB CCOc1ccc2oc(C(=O)OCC(=O)NCc3ccc4c(c3)OCO4)c(C)c2c1 3520393 NFCVEOWLVJMLJK-UHFFFAOYSA-N 411.410 3.342 0 40 HGAB COc1ccc(C(=O)Nc2c3c(nn2-c2ccc(F)cc2)C[S@@](=O)C3)c(OC)c1 4106285 WLCCDJDTESCPSE-GDLZYMKVSA-N 415.446 3.043 0 40 HGAB COC[C@@H](C)n1c(C)cc(C(=O)CN2C(=O)N[C@@]3(CCCc4ccccc43)C2=O)c1C 4284972 PURAEWFJMDHDTD-VOIUYBSRSA-N 423.513 3.279 0 40 HGAB CC1(C)O[C@H]2[C@H](O1)[C@H]1OC(C)(C)O[C@@H]1O[C@H]2C(=O)Oc1cccc2ccccc12 4303772 NHZBMHKKEJZBSF-IPLXSBJHSA-N 400.427 3.142 0 40 HGAB O=C(NCc1ccc(F)cc1)[C@@H](c1cccs1)N(C(=O)c1csnn1)C1CC1 4411478 LBILJZJNXRCWAT-QGZVFWFLSA-N 416.503 3.401 0 40 HGAB Cc1nc2cc(-c3cccc(F)c3)nn2c(N2CCN(c3ncccn3)CC2)c1C 4966844 XDPIRDARACRQJN-UHFFFAOYSA-N 403.465 3.269 0 40 HGAB COC(=O)c1c(NC(=O)COC(=O)CCc2ccc(OC)cc2)sc2c1CCC2 5102208 HEWUDPCERUMBBU-UHFFFAOYSA-N 417.483 3.147 0 40 HGAB COc1ccc(CC(=O)NCCc2nnc3c(C(F)(F)F)cc(Cl)cn23)cc1 5484778 SBJIMUVAMWVXAV-UHFFFAOYSA-N 412.799 3.312 0 40 HGAB CC(=O)CC(=O)N[C@H]1CC[C@@H](C[C@@H]2CC[C@H](NC(=O)CC(C)=O)[C@H](C)C2)C[C@H]1C 5528199 DLAADOGEGQKDFC-KPIIRZJKSA-N 406.567 3.177 0 40 HGAB CCCOC(=O)c1ccc(NC(=O)COC(=O)c2ccc(OC)cc2OC)cc1 5536780 JIYBAXJYHDSGNI-UHFFFAOYSA-N 401.415 3.066 0 40 HGAB CCn1c(CN2CCCCCC2=O)nnc1SCC(=O)N[C@H](C)c1ccccc1 5538581 YIHBAXVPHWJBJI-MRXNPFEDSA-N 415.563 3.170 0 40 HGAB O=C(OCC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc(=O)n(Cc2ccccc2)n1 5972817 DVNVRDNFIZYWLP-UHFFFAOYSA-N 406.482 3.234 0 40 HGAB COc1ccc2nc(NC(=O)COC(=O)c3cc(=O)c4ccccc4o3)sc2c1 6423510 GBTFKJSRLSXHKC-UHFFFAOYSA-N 410.407 3.207 0 40 HGAB CCCN(Cc1nnc(-c2ccco2)o1)C(=O)/C(=C/c1ccccc1)n1nnnc1C 7718818 WWMASFWMMGWTMI-LGMDPLHJSA-N 419.445 3.061 0 40 HGAB O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)N[C@H]1CCOc2ccccc21 8114929 PEHZIBMAGXRGRF-FQEVSTJZSA-N 414.527 3.044 0 40 HGAB O=C(c1ccccc1)c1ccc(NC(=O)[C@H]2CCCO2)c(NC(=O)[C@@H]2CCCO2)c1 8189531 KDZBHXJCPRSRRW-UXHICEINSA-N 408.454 3.153 0 40 HGAB O=C(c1cc2c(s1)CCCC2)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 8704777 YMJYVPDVFABHKW-UHFFFAOYSA-N 422.547 3.303 0 40 HGAB Cn1c(=O)c2c(-c3ccc(Cl)cc3)n3c(c2n(C)c1=O)[C@H](c1ccccc1)OCC3 8995380 JZGCWXKHZUZNKT-NRFANRHFSA-N 421.884 3.479 0 40 HGAB CCn1nc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)c2cc3ccccc3nc21 9109740 NXZLRFPCVOCDCX-UHFFFAOYSA-N 409.471 3.364 0 40 HGAB Cc1cc(C)n(-c2nncn2NC(=O)c2cc(-c3ccccc3)nn2-c2ccccc2)n1 9506815 OJIICXBNSBUSHY-UHFFFAOYSA-N 424.468 3.317 0 40 HGAB COc1ccccc1[C@@H](C)NC(=O)COC(=O)c1[nH]c(C)c(C(=O)OC(C)C)c1C 9836400 BJTUCYBLBIKWPJ-CQSZACIVSA-N 416.474 3.240 0 40 HGAB COc1ccc(-c2nnc(S)n2CC(=O)N[C@@H](C)c2cc(C)ccc2OC)cc1 9919272 IYUQBFAITPWQIM-AWEZNQCLSA-N 412.515 3.437 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(F)cc3F)C2)cc1C 9974525 GATHRBQNRCQFGF-CQSZACIVSA-N 424.469 3.321 0 40 HGAB COc1ccc(CC(=O)Nc2ccc3c(c2)N(C(=O)c2cccnc2)CC3)cc1OC 11695811 LUFKDUOLLJMCCI-UHFFFAOYSA-N 417.465 3.483 0 40 HGAB CC(C)c1ccccc1NC(=O)c1ccc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)cc1 12029687 JTCIMNBWNSQXPR-QGZVFWFLSA-N 421.540 3.023 0 40 HGAB CCNc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)Cc1ccc(OC)cc1 12527466 CJIODFNDASIRSG-UHFFFAOYSA-N 419.547 3.339 0 40 HGAB CCn1c(=O)n(CCC(=O)N[C@@H](C)c2ccc(-n3ccnc3)cc2)c2ccccc21 12547366 AJDYKDIXIVINQA-KRWDZBQOSA-N 403.486 3.276 0 40 HGAB CCS(=O)(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2N2CCCCC2)CC1 12553395 NDQQIAOYXATPTI-UHFFFAOYSA-N 413.971 3.331 0 40 HGAB O=S(=O)(c1ccc(F)c(F)c1)N1CCN(Cc2cc(-c3ccccc3)no2)CC1 12785781 FMRQQXHQGDYLNC-UHFFFAOYSA-N 419.453 3.126 0 40 HGAB O=C(C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)N1CCCc2ccccc21 12900961 QTXYOTUMLULFLV-UHFFFAOYSA-N 402.491 3.206 0 40 HGAB Cc1cccc2c(=O)n(CCCC(=O)NC[C@@H](c3ccccc3)N3CCCC3)cnc12 12908845 YBONNRKAANTRCS-QFIPXVFZSA-N 418.541 3.438 0 40 HGAB CCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1ccc2c(c1)NC(=O)CS2 12912692 XSQIBPQFGBYJPX-UHFFFAOYSA-N 405.426 3.110 0 40 HGAB CCN(CC(=O)Nc1c(F)cccc1F)S(=O)(=O)c1ccc(F)cc1Cl 12936710 UJGNSYRMNAQKGV-UHFFFAOYSA-N 406.813 3.407 0 40 HGAB CCc1cc2c(COC(=O)[C@H](C)NC(=O)c3cccc(C)c3)cc(=O)oc2cc1O 13063226 OQMYRBWCRHVKBB-AWEZNQCLSA-N 409.438 3.231 0 40 HGAB CC(C)COC(=O)[C@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OCC(C)C)[C@@H]1c1ccccc1 13582663 BRGRVHJIWQXPQK-NVJIOZQYSA-N 404.503 3.125 0 40 HGAB O=C(COc1cccc(-n2cnnn2)c1)N1CCC(c2nc3ccccc3s2)CC1 14184867 NTXIJJYHIQEOQR-UHFFFAOYSA-N 420.498 3.057 0 40 HGAB CCn1cc(S(=O)(=O)N2CCN(Cc3c(Cl)cccc3Cl)CC2)c(C)n1 14240072 UMJZXTKMRZTIRW-UHFFFAOYSA-N 417.362 3.025 0 40 HGAB CC[C@@H]1CCCCN1C(=O)CSc1nc2c(-c3ccc(F)cc3)cnn2c(=O)[nH]1 15107352 SRHJARVRFLONLG-OAHLLOKOSA-N 415.494 3.107 0 40 HGAB Cc1ccc(NC(=O)c2cccc(N3C(=O)CCS3(=O)=O)c2)cc1Br 15858548 KCDVYRKTOQJTNJ-UHFFFAOYSA-N 423.288 3.076 0 40 HGAB CC(C)N(Cc1ccccc1)C(=O)c1cccc(N2C(=O)C(C)(C)CS2(=O)=O)c1 15858624 RCECEKBGWVCJCT-UHFFFAOYSA-N 414.527 3.440 0 40 HGAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2c(F)cccc2F)cc1Cl 16692568 FGYVBZPCAOCHQR-UHFFFAOYSA-N 418.849 3.276 0 40 HGAB COC(=O)c1ccsc1NC(=O)CSc1nnc(-c2cccc(OC)c2)n1C 17091453 JGDAYVQEFHKRBF-UHFFFAOYSA-N 418.500 3.070 0 40 HGAB Cc1cccc(C(=O)NC(=S)NCc2ccc(-c3nn4c(C)nnc4s3)cc2)c1 17093200 POPJVBJKQFGRCN-UHFFFAOYSA-N 422.539 3.274 0 40 HGAB CCC(=O)N1CCN(c2ccccc2NC(=S)NC(=O)c2ccc(C)c(C)c2)CC1 17094082 KYQDCKCUBAUSML-UHFFFAOYSA-N 424.570 3.489 0 40 HGAB C[C@@H](c1ccccc1Cl)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 19077284 JKMHWNJUXGGVEE-ZDUSSCGKSA-N 422.963 3.412 0 40 HGAB CN(C)CCN(C)c1nc(-c2ccncc2)nc2c1CN(Cc1ccccc1F)CC2 19582494 KQVYFBOWFBGXIC-UHFFFAOYSA-N 420.536 3.234 0 40 HGAB Cc1cc(C)n([C@@H](C(=O)Nc2ccc3c(c2)N(S(C)(=O)=O)CCC3)C(C)C)n1 19656251 QYAJZRBKBDGLSZ-LJQANCHMSA-N 404.536 3.048 0 40 HGAB Cc1nc(C2CCN(C(=O)[C@H]3CCCO3)CC2)nc2c1CCCN2Cc1ccccn1 19705717 UEZWDDBGXVWTEY-OAQYLSRUSA-N 421.545 3.018 0 40 HGAB CCc1nccn1CC(=O)Nc1ccc([C@@H]2C[C@H](NC(C)=O)C[C@H](C(C)C)O2)cc1 19711777 YXQUACLFQIYCPE-NJYVYQBISA-N 412.534 3.465 0 40 HGAB CN1CCCCC[C@@H]2N(S(=O)(=O)c3cn(C)cn3)[C@H](Cc3ccccc3)C[C@@]21C 19713477 HHDKHDHITRGRKD-URVUXULASA-N 416.591 3.059 0 40 HGAB CC[C@@H](C)[C@H](NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(Cl)cc1)C(=O)OC 20738243 LZQXNDIRDZVDCF-PZPSRYQVSA-N 404.898 3.308 0 40 HGAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CN(c1ccccc1C)S(C)(=O)=O 22327080 XAFRTKNNDUSOKH-GOSISDBHSA-N 416.543 3.488 0 40 HGAB Cc1ccc(C(=O)[C@@H](C)OC(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)cc1C 23062416 BPWADRKXTFJLPD-OAHLLOKOSA-N 401.484 3.172 0 40 HGAB Cc1ccc(-c2csc3ncn(CCC(=O)/N=c4/sccn4C)c(=O)c23)cc1 24466258 SQHGOCHYPGRCGE-LSDHQDQOSA-N 410.524 3.351 0 40 HGAB C[C@@H](NC(=O)CCn1c(=O)[nH]c(=O)c2ccccc21)c1ccc(Cl)c(Cl)c1 27100672 UHLHECNRXJJHAV-LLVKDONJSA-N 406.269 3.264 0 40 HGAB COc1ccccc1N1CCN(C(=O)Cn2nc(C(F)(F)F)cc2C2CC2)CC1 27936829 TZWAEYIVPSCXRO-UHFFFAOYSA-N 408.424 3.137 0 40 HGAB COc1cc(CCNC(=O)[C@H]2CCCN(C(=O)c3ccoc3)C2)ccc1OC(F)F 28440495 MESZFKRFZKABRU-HNNXBMFYSA-N 422.428 3.101 0 40 HGAB C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)c2cc3ccc(Cl)cc3[nH]2)C1=O 28879320 ITEIBDHDNYGOLQ-NRFANRHFSA-N 410.861 3.409 0 40 HGAB CSc1cccc(N2C[C@@H](C(=O)NC[C@@H](c3cccc(F)c3)N(C)C)CC2=O)c1 29836459 BKBHCWNJKVMAOS-JXFKEZNVSA-N 415.534 3.320 0 40 HGAB Cc1cccc(N2CCN(CCCCNS(=O)(=O)c3ccc(F)cc3)CC2)c1 30361117 BUOIJCXEMVIQLQ-UHFFFAOYSA-N 405.539 3.015 0 40 HGAB O=S1(=O)C[C@@H]2[C@H](C1)N=C(SCc1cccc(F)c1)N2c1ccc(F)cc1F 32639873 STMQTLQGKSBTPU-DOTOQJQBSA-N 412.458 3.379 0 40 HGAB CC(C)(C)NS(=O)(=O)c1cc(C(=O)Nc2ccc3c(c2)OCCO3)ccc1Cl 32973868 OWOGVGLPYZCHMG-UHFFFAOYSA-N 424.906 3.440 0 40 HGAB Cc1sc(NC(=O)CN(Cc2ccccc2)C(=O)c2cccnc2)c(C(N)=O)c1C 35312691 FJLWNVDKQRRNML-UHFFFAOYSA-N 422.510 3.140 0 40 HGAB Cc1c(CNC(=O)c2cc(C3CC3)nc3c2cnn3-c2ccccc2F)cnn1C 36616197 JGJMJACOOXSYQT-UHFFFAOYSA-N 404.449 3.409 0 40 HGAB CCOC(=O)c1c(NC(=O)CN2CCc3ccccc3C2)sc(C(C)=O)c1C 38332270 SHWRPDKBCMMRTC-UHFFFAOYSA-N 400.500 3.433 0 40 HGAB C[C@@H](Oc1ccc(S(=O)(=O)NCc2ccccc2)cc1)C(=O)NC1CCCCC1 38556533 LYBPPPAGGGDHKW-QGZVFWFLSA-N 416.543 3.381 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2cc(F)c(F)c(F)c2F)cc1 39978538 NTQFZBUHXVSBFY-UHFFFAOYSA-N 418.412 3.204 0 40 HGAB Cc1cc(=O)c(C(=O)N2CCCN(Cc3ccc(F)cc3)CC2)nn1-c1ccccc1 40024181 YBSDDWCWRXTFGV-UHFFFAOYSA-N 420.488 3.028 0 40 HGAB COc1cccc(C(=O)NC2CCN(C(=O)c3ccc(-c4nc(C)no4)cc3)CC2)c1 40090965 ZDEJLXMNAPUXKI-UHFFFAOYSA-N 420.469 3.088 0 40 HGAB CCc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(Nc4ccc(F)cc4)[nH]c(=O)c32)cc1 40399631 JIYWCVLYFDFTJE-MRXNPFEDSA-N 421.432 3.280 0 40 HGAB Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)NCCCc2ccccc2)CC1 44904424 SIDZEEKFZUXZCJ-UHFFFAOYSA-N 414.571 3.286 0 40 HGAB Cc1nc2c(cc(OCC(=O)OCC(=O)NCC(F)(F)F)c3ccsc32)s1 46522447 PPVGQAOWBUJVQR-UHFFFAOYSA-N 418.418 3.420 0 40 HGAB CSc1nc(C)c(CCC(=O)Nc2ccc(N3C[C@H](C)O[C@H](C)C3)nc2)c(C)n1 48332245 VSJXYJRHAROPOF-OKILXGFUSA-N 415.563 3.395 0 40 HGAB Cc1ccc(-n2cc(C(=O)N3CCC(NC(=O)c4ccc(Cl)cc4)CC3)nn2)cc1 49405927 BHDJPMURPZKINH-UHFFFAOYSA-N 423.904 3.264 0 40 HGAB CCCCN(CC)C(=O)Cn1c(=O)n(-c2cc(F)cc(F)c2)c(=O)c2sccc21 57494181 OYCLHFDUQBFMCC-UHFFFAOYSA-N 421.469 3.141 0 40 HGAB Cc1cc2nc(SCC(=O)Nc3ccc(Br)cc3)n(C)c(=O)c2[nH]1 57521435 JCBIWPJABDFJKI-UHFFFAOYSA-N 407.293 3.063 0 40 HGAB COc1ccc(Br)c(C(=O)N2CCN(CCc3ccccc3)CC2)c1 57766409 ZMOPWKJCZCSPDQ-UHFFFAOYSA-N 403.320 3.458 0 40 HGAB CN(c1ccccc1)c1ccccc1NC(=O)NC[C@@H]([C@H]1CCOC1)N1CCOCC1 58156392 NRDCSMRVBYVPDS-CVDCTZTESA-N 424.545 3.313 0 40 HGAB CCOc1cc(/C=C/C(=O)N[C@H](C(=O)O)C(C)C)cc(Br)c1OCC 62715248 YYAFGSXUHKAOSR-WAVCKPEOSA-N 414.296 3.485 0 40 HGAB Cc1ccc(C)c(OC[C@@H](O)Cn2cnc3c(NCc4ccccc4)ncnc32)c1 69488604 RWBVSYJQBZRUKU-IBGZPJMESA-N 403.486 3.495 0 40 HGAB COc1ccc(OC)c(NC(=O)Cn2nnc(C(=O)Nc3cc(C)ccc3C)c2C)c1 71327420 ADODPYDRGSPTHY-UHFFFAOYSA-N 423.473 3.112 0 40 HGAB C[C@@H](c1ccccn1)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 72273189 PZRQYUSZGUDKMA-ZDUSSCGKSA-N 400.331 3.456 0 40 HGAB CC(C)N(CCNC(=O)c1[nH]nc2ccc(I)cc12)C(C)C 72302730 TUBAZVATZXSPDI-UHFFFAOYSA-N 414.291 3.016 0 40 HGAB Cc1ccc(NC(=O)Cn2ncc(=O)c3ccccc32)c(-c2nc(C3CC3)no2)c1 72309273 WOPJZOBUCXDNFK-UHFFFAOYSA-N 401.426 3.271 0 40 HGAB CCOc1ccc2cc(CNc3ccc(N4CCC(C(N)=O)CC4)cc3)c(=O)[nH]c2c1 72396163 XPXLOGDCAINHOQ-UHFFFAOYSA-N 420.513 3.241 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)N2CCSc3ccncc32)cc1 79055782 VEAFQBCJVKQZIV-JXMROGBWSA-N 417.556 3.264 0 40 HGAB CCNc1ccc(C(=O)OCC)cc1NC(=O)CCn1cnc2sccc2c1=O 79096610 LHPOCPNGCRIUGF-UHFFFAOYSA-N 414.487 3.095 0 40 HGAB O=C(O)CN1c2ccccc2N[C@@H]1CCCCc1nc2ccccc2n1CC(=O)O 82086763 KNPJDMMWBAKOJL-IBGZPJMESA-N 408.458 3.177 0 40 HGAB COc1ccc(C)cc1N1C[C@H](C(=O)N(C[C@H](O)c2ccccc2)C2CC2)CC1=O 84144636 VIQDXTWEKOFWEP-NQIIRXRSSA-N 408.498 3.081 0 40 HGAB O=C(NCc1cc(Br)ccc1OC(F)F)[C@H]1CCn2cncc2C1 95972722 IPOCUIBIMCCWMQ-JTQLQIEISA-N 400.223 3.126 0 40 HGAB O=C(NCc1ccccn1)c1cc(-c2cnc(N3CCCC3)nc2)cn1CC1CC1 96147683 CCZQBQFTHICWID-UHFFFAOYSA-N 402.502 3.280 0 40 HGAB CCc1ccc(S(=O)(=O)N2CC[C@@]3(CCCN(c4ccc(C)nn4)C3)C2)cc1 96217059 VTGJUVCTZUNGBD-OAQYLSRUSA-N 400.548 3.029 0 40 HGAB CN(C)c1ccc(C(=O)N2C[C@@H](C(=O)Nc3ccccc3)C3(CCOCC3)C2)cc1 96241126 RFIKYWGAMAUDSP-NRFANRHFSA-N 407.514 3.260 0 40 HGAB CCOC(=O)[C@@H](C(N)=O)c1nc2ccccc2nc1/C=C(\O)c1ccc(C)cc1C 100211397 FPWIYMRHVAYVBR-NURJGKTBSA-N 405.454 3.435 0 40 HGAB COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)c(F)c4)C(=O)[C@H]3N3CCCN23)cc1 100823834 HWWGJZVERBDGHY-OTWHNJEPSA-N 415.852 3.023 0 40 HGAB COC(=O)Cn1/c(=N\C(=O)Cc2ccc(OC)c(C)c2)sc2cc(F)cc(F)c21 101026993 QBDKWNKKORKJBQ-BSYVCWPDSA-N 420.437 3.141 0 40 HGAB COc1ccccc1N1C(=O)C[C@@H](c2c(C)nn(-c3nc4ccccc4o3)c2O)C1=O 101983818 UKEOMXLKURANHE-ZDUSSCGKSA-N 418.409 3.083 0 40 HGAB Cc1cc(C)cc(N(CCCC(=O)NCCSC(C)(C)C)S(C)(=O)=O)c1 113967250 APILIGGTMKZBRM-UHFFFAOYSA-N 400.610 3.498 0 40 HGAB Cc1ccccc1CNC(=O)[C@H](C)NCC1(c2ccc3c(c2)OCO3)CCOCC1 195675468 RLATZYFAFWOKSY-SFHVURJKSA-N 410.514 3.066 0 40 HGAB Cc1ccc(N([C@@H](C)C(=O)N2CCc3ccccc3C2)S(C)(=O)=O)cc1Cl 220356417 ARRMSDRONPBSSP-HNNXBMFYSA-N 406.935 3.388 0 40 HGAB CCOC(=O)c1cccc(NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2Cl)c1C 222520258 HWNDTZPMJJGWAM-UHFFFAOYSA-N 424.906 3.473 0 40 HGAB CC(=O)c1cccc(NC(=O)CCCN(c2ccc(F)c(F)c2)S(C)(=O)=O)c1 222679027 NTIMHQJBKUAPKW-UHFFFAOYSA-N 410.442 3.352 0 40 HGAB COc1ccc(S(=O)(=O)Nc2cccc(C(=O)N[C@H]3C[C@H]4CC[C@@H]3C4)c2)cc1 224039345 UBSJMQGBAHJMOV-MDOVXXIYSA-N 400.500 3.414 0 40 HGAB Cc1ccc(C(=O)N[C@H](C)COc2ccccc2)cc1N1CCCCS1(=O)=O 224402260 GUBQTMGQJNPEBO-QGZVFWFLSA-N 402.516 3.122 0 40 HGAB Cc1cc(NC(=O)[C@H](c2ccccc2)N(C)S(C)(=O)=O)ccc1Br 224528444 XYROAKWVFUUPPA-INIZCTEOSA-N 411.321 3.329 0 40 HGAB CCOC(=O)c1ccc(C)c(N(CC)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 224815517 GHOVPXYOVTVVFJ-UHFFFAOYSA-N 407.488 3.404 0 40 HGAB Cc1c(NS(C)(=O)=O)cccc1C(=O)Nc1nnc(SCC(C)C)s1 224910528 SVLVVTSOLHZWES-UHFFFAOYSA-N 400.551 3.218 0 40 HGAB CC1CCN(S(=O)(=O)c2cc(Br)c(N)c(Br)c2)CC1 226305484 IFFPDFAXIMCUAV-UHFFFAOYSA-N 412.147 3.214 0 40 HGAB O=C(c1cccc(OCCN2CCCC2)c1)N1C[C@@H](c2ccccc2)[C@@H]2CNCC[C@@H]21 257281748 OQUXZURZYZWCDH-SDHOMARFSA-N 419.569 3.379 0 40 HGAB Cc1ccc(CC(=O)N2CCO[C@@H](c3cccc(-c4ccc(N)nc4)n3)C2)cc1C 257304120 SKDYCSJXBVAYAK-JOCHJYFZSA-N 402.498 3.485 0 40 HGAB CCN(CC)S(=O)(=O)N1CC[C@@H](c2cc(Nc3ccc(F)cn3)cc(C)n2)C1 257311562 UKAUPGJYALTPJL-OAHLLOKOSA-N 407.515 3.044 0 40 HGAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cccc(OC)c3)C2)cc1 408558435 IZORJTNAZYTJHX-MRXNPFEDSA-N 418.515 3.133 0 40 HGAB Cc1cccc(CSCCNC(=O)[C@@H](C)N(c2ccccc2)S(C)(=O)=O)c1 408926101 ONRRNJSZFMNHBR-QGZVFWFLSA-N 406.573 3.199 0 40 HGAB COC(=O)c1ccc(C)c(NC(=O)CN(c2cccc(Cl)c2C)S(C)(=O)=O)c1 408926533 YJSFWHWUNLNMLE-UHFFFAOYSA-N 424.906 3.148 0 40 HGAB CCOc1cc(/C=C2/SC(=O)N(CC)C2=O)cc(I)c1O 409097209 LSOXNKDISRUIJL-YRNVUSSQSA-N 419.240 3.452 0 40 HGAB O=C(COC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1)Nc1cccc(C(F)(F)F)c1 409131588 YIBDZKRMNCGZSF-LBPRGKRZSA-N 424.350 3.379 0 40 HGAB CCn1c(SCC(=O)Nc2ccccn2)nnc1[C@H](C)NC(=O)c1cccc(C)c1 409136866 YQOOGSDAZGMVQJ-HNNXBMFYSA-N 424.530 3.223 0 40 HGAB CCc1ccccc1N(CC(=O)Nc1ccc(Cl)c(C(=O)OC)c1)S(C)(=O)=O 409320364 ANZOJHQINZZBNQ-UHFFFAOYSA-N 424.906 3.094 0 40 HGAB O=S(=O)(NCC1CCN(CC(F)(F)F)CC1)c1cccc(C(F)(F)F)c1 444230083 XKLKQAOGCXETBJ-UHFFFAOYSA-N 404.376 3.258 0 40 HGAB CS(=O)(=O)Nc1ccc(-c2noc(Cc3cccc(Br)c3)n2)cc1 547043417 DQMMGHMNHQUQPN-UHFFFAOYSA-N 408.277 3.461 0 40 HGAB C[C@@H]1CCCN(C[C@H]2CC3(CCN(C(=O)Cc4ccc(N(C)C)cc4)CC3)CO2)C1 585104468 OZZNCBPKNORVDN-NFBKMPQASA-N 413.606 3.425 0 40 HGAB Cn1nccc1C(=O)N[C@@H]1c2ccccc2[C@@H]2CN(CCOc3cccc(F)c3)C[C@H]12 585109798 VHYUMJVAXXRAGS-QNWVGRARSA-N 420.488 3.138 0 40 HGAB CNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1csc(Cc2ccc(Cl)cc2)n1 1522599371 SXWQMVPFJKZVEI-QGZVFWFLSA-N 413.930 3.474 0 40 HGAB CCO[C@H]1CCN(C(=O)c2ccc3c(=O)n(-c4ccccc4F)c(S)nc3c2)C1 1636540508 YFSOPJFZAZWWHV-AWEZNQCLSA-N 413.474 3.065 0 40 HGAB COc1ccc(C)cc1-n1nnc(S(=O)(=O)c2ccc(Br)cc2)c1C 1775966855 HJPGXAPMPBLSBL-UHFFFAOYSA-N 422.304 3.488 0 40 HGAB CCOc1ccc2nc(NC(=O)NS(=O)(=O)c3ccc(F)cc3F)sc2c1 1415293 CDZFRXOHUALZDT-UHFFFAOYSA-N 413.427 3.484 0 40 HGAB CCOc1cc([C@@H]2[C@@H]3CCCC[C@@]3(O)CCN2CC(=O)N2CCCCC2)ccc1O 2100670 NHZZGNAMAAEEJA-WUMKDDEVSA-N 416.562 3.472 0 40 HGAB COc1ccc(-n2nnnc2SCC(=O)Nc2ncc(Cl)cc2Cl)cc1 3313468 QZIUSZICWRAHRI-UHFFFAOYSA-N 411.274 3.104 0 40 HGAB CCC[C@@]1(C(=O)OC)N[C@@H](c2ccc(C)cc2)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@H]21 4885818 BUKVTGGQIXTIFJ-AIFLQVKLSA-N 420.509 3.465 0 40 HGAB CCOc1ccccc1NC(=O)C1CCN(c2c(CC)c(C)nc3ncnn23)CC1 4898086 BYMSEYJBWFQQEX-UHFFFAOYSA-N 408.506 3.249 0 40 HGAB CCOC(=O)Cc1csc(SCC(=O)c2[nH]c(C)c(C(=O)OCC)c2C)n1 5014532 ZPTAXYFOEUXIGA-UHFFFAOYSA-N 410.517 3.345 0 40 HGAB Cc1ccccc1Cn1c(=O)c2c(nc3n(-c4ccccc4C)c(C)cn23)n(C)c1=O 5076132 OEOGFXIVGUPMDN-UHFFFAOYSA-N 413.481 3.112 0 40 HGAB CN(C)c1cccc(C(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c1 5392568 ULLLRKLLYFQXKX-UHFFFAOYSA-N 423.538 3.053 0 40 HGAB COc1ccc(/C=C2\SC(=O)N(CC(=O)N[C@H]3CCCC[C@@H]3C)C2=O)cc1OC 5445651 WBNCKQLRAWTVIR-URPPZRDFSA-N 418.515 3.435 0 40 HGAB CC(C)c1ccc(-n2nnnc2S[C@@H](C)C(=O)NC(=O)NC2CCCCC2)cc1 5492926 UKRQEVSZLGYRCS-AWEZNQCLSA-N 416.551 3.425 0 40 HGAB CC(C)(C)c1ccc(C(=O)OCC(=O)Nc2sc3c(c2C(N)=O)CCC3)cc1 5858963 VLENCMPWMLQVFU-UHFFFAOYSA-N 400.500 3.429 0 40 HGAB CCCNC(=O)[C@@H]1CC(=O)N(c2ccc(OCC(=O)Nc3c(C)cccc3C)cc2)C1 5864097 FDFUPDHPBFIJMQ-GOSISDBHSA-N 423.513 3.200 0 40 HGAB CCCOc1ccc(C(=O)N(Cc2cccc(F)c2)[C@@H]2CCS(=O)(=O)C2)cc1 6810978 USQIEBHZXKCNAF-LJQANCHMSA-N 405.491 3.444 0 40 HGAB CCc1cccc(CC)c1NC(=O)COC(=O)[C@H]1CC(=O)N(c2cccc(OC)c2)C1 7940151 JVUPKWWGPYKNGA-SFHVURJKSA-N 424.497 3.355 0 40 HGAB CCc1ccccc1NC(=O)/C(C#N)=C\c1ccc(OCC(=O)N2CCOCC2)cc1 8088102 NKZRQGZOCOPNCT-HKWRFOASSA-N 419.481 3.032 0 40 HGAB CCOC(=O)C1CCN(C(=O)[C@@H](C)Sc2nnc(C)n2-c2cccc(C)c2)CC1 8131805 GOPKWXBDQRHOFQ-OAHLLOKOSA-N 416.547 3.166 0 40 HGAB C[C@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)c2ccc3c(c2)OCO3)C1=O 8193616 CMAJPRACHFJLFF-HSZRJFAPSA-N 402.406 3.218 0 40 HGAB C[C@@H]1Cc2ccccc2N1C(=O)CN1C(=O)N[C@](C)(c2cc3ccccc3o2)C1=O 8316408 IJEKWKVJLIFUDP-QKFKETGDSA-N 403.438 3.178 0 40 HGAB COc1cc(NC(=O)CCNS(=O)(=O)c2ccc3ccccc3c2)cc(OC)c1 8344649 OKUZQPPMLHPFFR-UHFFFAOYSA-N 414.483 3.164 0 40 HGAB CCN1CCOc2ccc(NS(=O)(=O)c3ccc(OC)c(Cl)c3)cc2C1=O 8961637 QUMIAPHOOSYMHF-UHFFFAOYSA-N 410.879 3.004 0 40 HGAB CC(=O)Nc1ccc(-c2nc(N)sc2[C@]2(O)C(=O)N(C(C)C)c3ccccc32)cc1 9349231 WIBSLSGWLWSFSU-QFIPXVFZSA-N 422.510 3.342 0 40 HGAB O=C(c1cn(C[C@H]2CCCO2)cc2c(=O)n(-c3ccccc3)nc1-2)N1CCCCCC1 9663214 LCTMIZYNLDHBIR-LJQANCHMSA-N 420.513 3.334 0 40 HGAB CCOc1cc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc(Cl)c1O 9956584 HOYZHGNQBSAJJQ-UHFFFAOYSA-N 424.906 3.481 0 40 HGAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CN[C@@H](c1ccccc1)C(C)C 10026411 OMNRNQHZVNRRMD-OAQYLSRUSA-N 403.548 3.171 0 40 HGAB CCOC(=O)C1CCN(C(=O)[C@H](C)Sc2nc3ccc(OCC)cc3[nH]2)CC1 10732408 SSHGJHCWNRNRFB-ZDUSSCGKSA-N 405.520 3.244 0 40 HGAB CCCn1c(SCC(=O)N2C[C@@H](C)O[C@H](C)C2)nc2sc(CC)cc2c1=O 11065057 VOSLIQRBXASQSE-CHWSQXEVSA-N 409.577 3.158 0 40 HGAB Cc1nc(Oc2ccccc2)cc(N2CCN(S(=O)(=O)c3ccccc3)CC2)n1 12225043 VFKRDFCWWRAFMT-UHFFFAOYSA-N 410.499 3.088 0 40 HGAB Cc1ccc(NC(=O)CNc2ccccc2SCC(N)=O)c(Br)c1 12522865 CREFAUTYAGGDRU-UHFFFAOYSA-N 408.321 3.386 0 40 HGAB CCOc1ccc(NCc2nc(-c3cccs3)no2)cc1S(=O)(=O)N(C)C 12523134 YWCFIHQCGFUISF-UHFFFAOYSA-N 408.505 3.059 0 40 HGAB CN1CCN(c2ccc(C(F)(F)F)cc2NC(=O)[C@H]2COc3ccccc3O2)CC1 12732599 IXOJCRZDOURNRY-LJQANCHMSA-N 421.419 3.236 0 40 HGAB COc1ccccc1N1C[C@@H](C(=O)Nc2ccc(N3CCCC3=O)c(C)c2)CC1=O 12767758 XQRATDAQYCWJTD-INIZCTEOSA-N 407.470 3.122 0 40 HGAB O=C(NCCc1c[nH]c2ccccc12)c1sccc1S(=O)(=O)N1CCCCC1 12769304 ZSAOVDCBZCGXIU-UHFFFAOYSA-N 417.556 3.377 0 40 HGAB COc1ccc(NC(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 12883174 PMSAJPYMJCVILH-UHFFFAOYSA-N 402.516 3.441 0 40 HGAB COc1cc(N2C[C@@H](C(=O)Nc3cccc(Cl)c3)CC2=O)cc(OC)c1OC 12981155 AYKSSHICJAVMMJ-LBPRGKRZSA-N 404.850 3.357 0 40 HGAB Cc1cc(C)c(C)c(S(=O)(=O)NCc2ccc(CN3CCOCC3)cc2)c1C 12997331 BSJIEPHTIVJKQS-UHFFFAOYSA-N 402.560 3.231 0 40 HGAB Cc1ccc(NC(=O)C[C@@H]2CS(=O)(=O)C[C@@H]2CC(=O)Nc2ccc(C)cc2)cc1 13590116 JBEQYWUUZSPINP-HDICACEKSA-N 414.527 3.322 0 40 HGAB COc1ccc(CCc2nn3c(Cn4cnc5ccccc54)nnc3s2)cc1OC 13724727 GAWCDWWKIUOEQW-UHFFFAOYSA-N 420.498 3.386 0 40 HGAB O=C(Nn1cnnc1)c1ccccc1NC(=O)c1ccccc1C(=O)c1ccccc1 14406039 HWJFLZGCWQBDSK-UHFFFAOYSA-N 411.421 3.145 0 40 HGAB CS(=O)(=O)Nc1cccc(C(=O)OCc2nnc(-c3ccc(Cl)cc3)o2)c1 15279070 AKIDRXQGWUIPMJ-UHFFFAOYSA-N 407.835 3.119 0 40 HGAB CCCN(CC(=O)NCc1ccc(C)cc1)CC(=O)Nc1ccc(F)c(F)c1F 16390187 LYSMSBRPFBDPJV-UHFFFAOYSA-N 407.436 3.379 0 40 HGAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)COC(=O)c1cc(Cl)cc(Cl)c1N 18768309 MFMPKLNQFHUVLL-SNVBAGLBSA-N 422.268 3.496 0 40 HGAB O=C(C1CCCCC1)N1CCc2nc([C@@H]3CCCCN3C(=O)C3CC3)nc(O)c2C1 19014693 XBQLHSAIVDBXPK-IBGZPJMESA-N 412.534 3.111 0 40 HGAB CC(C)(C)C(=O)N1CCO[C@](Cc2cccc(-c3ccncc3)c2)(C(=O)NC2CC2)C1 19081492 WKYQHXUHQLKORK-VWLOTQADSA-N 421.541 3.213 0 40 HGAB CN(Cc1ccc2c(c1)OCCO2)C(=O)COc1ccc(Br)cc1C=O 19312489 HEPHBHMAHKGPRO-UHFFFAOYSA-N 420.259 3.070 0 40 HGAB Nc1cc(-c2cccs2)nn(CC(=O)Nc2cccc(OC(F)(F)F)c2)c1=O 19330855 MYAJVXTXDBANNC-UHFFFAOYSA-N 410.377 3.091 0 40 HGAB CCn1nc(C)c([C@@H](C)NC(=O)[C@H]2CC(=O)N(CCc3c[nH]c4ccccc34)C2)c1C 19523725 NJDOSFCGDKUMES-BEFAXECRSA-N 421.545 3.270 0 40 HGAB COc1cc(C(=O)N2CCC[C@@H]2c2n[nH]cc2-c2ccncc2)cc(OC)c1OC 19549519 RLNVREFAYGVXSM-QGZVFWFLSA-N 408.458 3.475 0 40 HGAB COCC(=O)N1CCC[C@@H](c2nc(C)c3c(n2)N(Cc2cccc(OC)c2)CCC3)C1 19706590 SHIFEOKJSXJPAY-LJQANCHMSA-N 424.545 3.099 0 40 HGAB COC(=O)c1[nH]c2ccccc2c1NC(=O)[C@H](C)N1CCN(C2CCCCC2)CC1 19996983 JWAJIOYGIZUNAH-INIZCTEOSA-N 412.534 3.232 0 40 HGAB COc1ccc([C@H]2Nn3c(C)nnc3S[C@@H]2C(=O)N2CCCCC2)cc1Cl 20068914 WTTPYBWMNHBMQL-CVEARBPZSA-N 407.927 3.020 0 40 HGAB COc1ccc(Cl)cc1N([C@H](C)C(=O)N(C)C1CCCCC1)S(C)(=O)=O 20455954 KDPXVSIOBMPZHS-CYBMUJFWSA-N 402.944 3.294 0 40 HGAB FC(F)(F)C(Oc1nc(Nc2ccccc2)nc(N2CCOCC2)n1)C(F)(F)F 21260976 OWJBBCQHTIJVJL-UHFFFAOYSA-N 423.317 3.324 0 40 HGAB Cc1cc(C(=O)O[C@H](C)C(=O)Nc2ncnc3nc[nH]c23)c(C)n1Cc1cccs1 22187824 KXQAPSNAXNGUJE-CYBMUJFWSA-N 424.486 3.065 0 40 HGAB C[C@H](c1nc2ccccc2s1)N1CCN(Cn2ncc3ccccc3c2=O)CC1 22932655 HRLCDRPSNCPISK-MRXNPFEDSA-N 405.527 3.343 0 40 HGAB CC(C)c1cccc(N2C[C@H](C(=O)Nc3ccc(S(C)(=O)=O)cc3)CC2=O)c1 23022372 BLORCENLGFDOBY-MRXNPFEDSA-N 400.500 3.205 0 40 HGAB C[C@H](C(=O)N(Cc1ccc2c(c1)OCO2)C1CCCC1)N1C(=O)c2ccccc2C1=O 23229354 WRCYGKDKWAYYDC-OAHLLOKOSA-N 420.465 3.371 0 40 HGAB O=C(CCn1cnc2ccc(Br)cc2c1=O)OCc1ccc(F)cc1 24126721 ZBJLKGZCXUOGLA-UHFFFAOYSA-N 405.223 3.432 0 40 HGAB O=C(c1cc(-c2ccco2)on1)N1CCN(CCOc2ccc(Cl)cc2)CC1 24528448 QFEUTGIBJSLRRH-UHFFFAOYSA-N 401.850 3.425 0 40 HGAB COCCn1c(SC[C@@H](O)COc2ccc(F)cc2)nnc1-c1ccccc1 24838088 YGPRNRRMNHZEIH-KRWDZBQOSA-N 403.479 3.263 0 40 HGAB CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)NC[C@H](c1cccs1)N(C)C 27676186 ZCDKMYSGXMHQPD-QAPCUYQASA-N 409.502 3.200 0 40 HGAB COc1ccc(CN2C[C@H](C(=O)Nc3ccc(Br)cc3)CC2=O)cc1 28404167 IZZZCMQZQMWKLB-CQSZACIVSA-N 403.276 3.445 0 40 HGAB O=c1c2ccccc2c(-c2cccs2)nn1CN1CCN(Cc2ccncc2)CC1 29499938 YHQLCGMWKAAKRH-UHFFFAOYSA-N 417.538 3.295 0 40 HGAB O=C(Cc1csc(NC(=O)Cc2cccs2)n1)NC[C@@H]1Cc2ccccc2O1 31117120 XTVRMTXDKIHTFU-HNNXBMFYSA-N 413.524 3.048 0 40 HGAB COC(=O)[C@H](CCSC)NC(=O)c1cc(-c2ccccn2)nc2cc(F)ccc12 32090524 PRQSADSCRGOLAP-KRWDZBQOSA-N 413.474 3.460 0 40 HGAB COc1cc(CN(C(=O)CCc2c(C)nc(C)[nH]c2=O)C2CC2)ccc1OC(F)F 32841795 HOYBVHITCLYEKY-UHFFFAOYSA-N 421.444 3.121 0 40 HGAB CCCn1ncc2c(C(=O)N3CCN(Cc4cccnc4)CC3)cc(C3CC3)nc21 36616580 JSYLPYGQCBZFFD-UHFFFAOYSA-N 404.518 3.072 0 40 HGAB COc1cc(CNC(=O)[C@H]2CCCN(c3cnccn3)C2)ccc1OCCC(C)C 40112717 LGICPLFXCLIOAE-IBGZPJMESA-N 412.534 3.443 0 40 HGAB COc1ccc(CSc2nnc(S[C@@H](C)C(=O)N3CCOCC3)s2)cc1 40158976 TXYNIEJWBXPJOG-LBPRGKRZSA-N 411.574 3.178 0 40 HGAB CC[C@H](NC(=O)[C@@H](C)N(c1ccc(F)cc1)S(C)(=O)=O)c1ccc(OC)cc1 44901287 MNZOOKQEZDFTIT-KUHUBIRLSA-N 408.495 3.256 0 40 HGAB CS(=O)(=O)N1CC[C@@H](C(=O)NCCCc2ccccc2)Oc2ccc(Cl)cc21 44909362 VOKOANYAFJHUFF-IBGZPJMESA-N 422.934 3.006 0 40 HGAB CN(C)[C@@H](CNC(=O)[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1)c1ccsc1 48249067 QQTZSUVRGRUIJQ-XLIONFOSSA-N 417.550 3.087 0 40 HGAB COCCOc1ccc([C@@H](C)NC(=O)c2cncc(Br)c2)cc1OC 48324592 CCPMTSJSZZATQC-GFCCVEGCSA-N 409.280 3.369 0 40 HGAB Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cc(-c3ccc(C)s3)n[nH]2)cc1 58157307 KHFMDQDZLVUVSL-UHFFFAOYSA-N 404.517 3.014 0 40 HGAB CC(=O)c1ccc(N2CCN(Cc3nc(N)nc(Nc4ccccc4C)n3)CC2)cc1 58165842 JTCCMHOPGDQYPJ-UHFFFAOYSA-N 417.517 3.031 0 40 HGAB CN1CCC(CNC(=O)C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)CC1 58246390 TVCKPKTUYDSQPW-UHFFFAOYSA-N 411.468 3.016 0 40 HGAB CCOc1ccc(-n2ccn(CC(=O)N(CC)c3ccc(CC)cc3)c(=O)c2=O)cc1 67256114 TUDZXZUAHFUCKR-UHFFFAOYSA-N 421.497 3.013 0 40 HGAB O=C(c1cccc(F)c1F)N1CCC[C@H](Cc2cc(Nc3cnccn3)ncn2)C1 72383445 QRXCKGSOWHUTSV-CQSZACIVSA-N 410.428 3.383 0 40 HGAB COc1cc(C(=O)N2Cc3ccccc3OC[C@H]2Cn2ccnc2)cc(OC)c1OC 72394821 RCHPYNWASQAKFS-GOSISDBHSA-N 423.469 3.013 0 40 HGAB COc1cc2cc(CNc3ccc(N4CCC(O)CC4)cc3)c(=O)[nH]c2cc1OC 72396151 JFWHTNMKMDHIFV-UHFFFAOYSA-N 409.486 3.119 0 40 HGAB CCOc1ccc(S(=O)(=O)Nc2ccc(O)c(C(F)(F)F)c2)cc1C(=O)O 79075855 OZCZPFAKCXECHO-UHFFFAOYSA-N 405.350 3.309 0 40 HGAB C[C@H](NC(=O)COC(=O)c1cccc(-n2cnnn2)c1)c1ccc(Cl)c(Cl)c1 79381526 VTFKBOBPSNLTBT-NSHDSACASA-N 420.256 3.003 0 40 HGAB CC(C)OC(=O)[C@@H](C)N(C)c1cnn(-c2ccc(C(F)(F)F)cn2)c(=O)c1Cl 84621828 PHMZFLYIUHZAEG-SNVBAGLBSA-N 418.803 3.076 0 40 HGAB CCCCS(=O)(=O)N1CCC2(CC1)C[C@@H](CC(=O)NC(C)C)c1ccccc1O2 96243112 PWVUFISKRVDELH-GOSISDBHSA-N 422.591 3.432 0 40 HGAB Cc1ccc(S(=O)(=O)Oc2ccc(Cl)cc2C(=S)N2CCOCC2)cc1 98087145 DGOYPNAQHWLBMG-UHFFFAOYSA-N 411.932 3.424 0 40 HGAB Cc1ccccc1N1C[C@@H](C(=O)OCC(=O)Nc2cccc(Cl)c2C)CC1=O 111882425 LYGVDXGITXFDHR-HNNXBMFYSA-N 400.862 3.492 0 40 HGAB COC(=O)c1cn(C(=O)CCCN(C)S(=O)(=O)c2ccccc2)c2ccccc12 222628333 LSBBESDZIQGJRY-UHFFFAOYSA-N 414.483 3.169 0 40 HGAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1Cc1ccncc1 223606439 TULGAPZTIDOFBV-FGZHOGPDSA-N 421.570 3.298 0 40 HGAB CN(C)c1cnnc(N2CCN(C(=O)C(c3ccccc3)c3ccccc3)CC2)c1 224309979 RIPOBVLBQPSFRM-UHFFFAOYSA-N 401.514 3.023 0 40 HGAB CCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(F)cc1 225037929 ZXWIOLVGFKBLNZ-MRXNPFEDSA-N 402.466 3.157 0 40 HGAB COc1ccc(N(CC(=O)O)S(=O)(=O)c2ccc3ccccc3c2)cc1OC 225050928 JVJRZSJENKYEKB-UHFFFAOYSA-N 401.440 3.137 0 40 HGAB Cc1ccc(SCCNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)cc1 225504062 XXKSJYNEBNJEKH-GOSISDBHSA-N 418.584 3.304 0 40 HGAB CS(=O)(=O)N[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)c1ccc(F)cc1 225946179 WYOIVNPDXAKBDS-OAHLLOKOSA-N 404.385 3.464 0 40 HGAB CC(=O)N[C@@H]1c2ccccc2CC[C@]12CN(Cc1ccccc1)C[C@@H]2C(=O)NC(C)C 247960591 VJMXMHSFPSMDPT-DGWZTRNLSA-N 419.569 3.453 0 40 HGAB Cc1nc(C)n(CCC(=O)N2CCO[C@H](c3cccc(Cc4ccccc4C)n3)C2)n1 257209543 BQURXPUYUDZOGY-QHCPKHFHSA-N 419.529 3.179 0 40 HGAB O=C1CCCN1CC(=O)N1CCC[C@@H](c2ncc(Cc3ccccc3Cl)o2)C1 257212106 CBYZTRITJTZPEW-MRXNPFEDSA-N 401.894 3.247 0 40 HGAB CC(C)Sc1ccc(CC(=O)Nc2ccc3c(c2)N(C)S(=O)(=O)N3C)cc1 390829088 WNZBFORJEPVNEE-UHFFFAOYSA-N 405.545 3.499 0 40 HGAB O=C(NC1CCCC1)[C@@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2Cl)C1 409392605 RYZORXLVVCXPLW-GFCCVEGCSA-N 405.347 3.453 0 40 HGAB CC(C)C[C@@H](NC(=O)c1cc(F)ccc1-n1cnnn1)c1nc2ccccc2n1C 504122929 HYXQMKIDNOYQKT-QGZVFWFLSA-N 407.453 3.205 0 40 HGAB C[C@H](CNC(=O)NCc1ccc(Oc2cccc3ccccc23)cc1)S(N)(=O)=O 512365556 AKQAAHCGQJHWBD-OAHLLOKOSA-N 413.499 3.108 0 40 HGAB O=C(NC1CCCCC1)c1cc(NC(=O)c2cccn3c(O)nnc23)ccc1Cl 536113972 XBMAGHUVOPHETI-UHFFFAOYSA-N 413.865 3.403 0 40 HGAB CC(=O)NCCN(C(=O)c1cc(-c2ccc(C)c(C)c2)[nH]n1)C1CCSCC1 549210221 JNNCFSYTNIQUCT-UHFFFAOYSA-N 400.548 3.167 0 40 HGAB O=C(c1cc(-c2ccc3c(c2)OCO3)[nH]n1)N1CC[C@@H](Oc2ccncc2Cl)C1 575611477 YWEKKFRYCYVMGW-CYBMUJFWSA-N 412.833 3.147 0 40 HGAB CCOC1(c2nc([C@H]3CCCO3)no2)CCN(C(=O)COc2cccc(C)c2)CC1 583615948 USPLPXHAFPLUCP-GOSISDBHSA-N 415.490 3.163 0 40 HGAB Cc1nn(C)cc1NC(=O)CN1CCC[C@@H]1c1csc(NC(=O)c2ccccc2)n1 585272287 MWTBGWROSBRBTO-GOSISDBHSA-N 424.530 3.213 0 40 HGAB CNC(=O)c1cc2cc(NC(=O)N3CC[C@H](N(C)Cc4ccccc4)C3)ccc2[nH]1 684244673 PBIQBVJBQBFUHS-IBGZPJMESA-N 405.502 3.266 0 40 HGAB O=C(CCc1ccc[nH]1)N1CC[C@@]2(CCc3nc(-c4ccccc4)cc(=O)n3CC2)C1 1565555550 CMUGQKMJGCLGNN-RUZDIDTESA-N 416.525 3.426 0 40 HGAB C[C@@H]1CCn2ncc(C(=O)N[C@H]3CCc4nc(-c5ccc(F)cc5F)cn4C3)c2C1 1615613144 QJMRUHHASCTQDC-HIFRSBDPSA-N 411.456 3.352 0 40 HGAB C[C@H]1CN(c2nc(Sc3ccccn3)cc(N3C[C@H](C)O[C@H](C)C3)n2)C[C@H](C)O1 1615627239 BCUZPTRGPIVWJC-YVSFHVDLSA-N 415.563 3.250 0 40 HGAB CCCc1ccc(N2C[C@@H](C(=O)N3C[C@@H](O)[C@H](Cc4ccccc4)C3)CC2=O)cc1 1637247799 MDWOUECFGWVTSA-FUPPJEDESA-N 406.526 3.054 0 40 HGAB CCC(=O)N1CCc2ccc(S(=O)(=O)NC(C)(C)c3ccc(F)c(F)c3)cc21 1654422775 NREFPDGVNYEOCR-UHFFFAOYSA-N 408.470 3.478 0 40 HGAB CS(=O)(=O)N[C@@H]1CCCN(C(=O)N[C@@H]2CCC[C@@H](c3ccc(Cl)cc3)C2)C1 1682121176 FWQDORLQZMEVRC-KBAYOESNSA-N 413.971 3.089 0 40 HGAB O=C(COc1cccc(Cl)c1)N1CCC(Cn2nc3c(cc2=O)CCCC3)CC1 1775986163 YIGACYNDXPVMIM-UHFFFAOYSA-N 415.921 3.093 0 40 HGAB O=C(Nc1ccccn1)C1=C(c2ccccc2)NC(=S)N[C@H]1c1cccc(O)c1 956722 AJVDJATYXZKSJI-FQEVSTJZSA-N 402.479 3.356 0 40 HGAB O=S(=O)(c1ccc(Br)cc1Br)n1nnc2ccccc21 1187520 HCXFAHZNOOEYKK-UHFFFAOYSA-N 417.082 3.193 0 40 HGAB COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(Br)cc1 1782133 OZCVNYGMHQVRGC-QGZVFWFLSA-N 401.260 3.445 0 40 HGAB biogenic COc1ccc(CCN2CC(=O)N3[C@@H](Cc4c([nH]c5ccccc45)[C@H]3C)C2=O)cc1 2104449 KVCCNNCLZWCFAX-VFNWGFHPSA-N 403.482 3.076 0 40 HGAB biogenic COc1ccc(OC)c(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)c1 2622619 JGPSCFDYXFLDMA-UHFFFAOYSA-N 424.906 3.394 0 40 HGAB COc1ccc(NC(=O)CN2C(=O)N[C@@]3(CCCc4ccccc43)C2=O)cc1Cl 2643832 OEOPDBBGGQWMPK-OAQYLSRUSA-N 413.861 3.071 0 40 HGAB COc1ccc([C@@H]2C(C(N)=O)=C(C)Nc3nc(-c4cccc(C)c4)nn32)cc1OC 4574606 SPISIKHIWDIMQV-LJQANCHMSA-N 405.458 3.045 0 40 HGAB CCc1ccc(N2CCN(S(=O)(=O)C[C@]34CC[C@H](CC3=O)C4(C)C)CC2)cc1 4623429 UTHJNXUAYHPAKD-XMSQKQJNSA-N 404.576 3.096 0 40 HGAB Cc1ccc(SCC(=O)O[C@@H](C)C(=O)NCc2ccc3c(c2)OCO3)cc1C 4768587 GFWDSDPHYPMAJV-HNNXBMFYSA-N 401.484 3.372 0 40 HGAB O=C(NCCCn1ccnc1)c1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1 5027678 BTBICLRWHCIVCB-UHFFFAOYSA-N 404.352 3.025 0 40 HGAB CCCCC(=O)N(c1ccc(OC)cc1)S(=O)(=O)c1ccc2c(c1)oc(=O)n2C 5234882 HCVGUXLCBGGVHD-UHFFFAOYSA-N 418.471 3.052 0 40 HGAB Cn1c(=O)c2c(-c3ccccc3)n3c(c2n(C)c1=O)[C@@H](/C=C/c1ccccc1)OCC3 5346076 JKKBCIZVSHQYDP-JKIKYLSZSA-N 413.477 3.490 0 40 HGAB C[C@@H](NC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)c1ccc(F)cc1 6626472 VZSXTQFTJDCUNV-CQSZACIVSA-N 402.447 3.388 0 40 HGAB CCc1ccc(O[C@H](C)C(=O)N(Cc2ccccc2F)[C@@H]2CCS(=O)(=O)C2)cc1 6811087 SYDTWNFBCQUTRK-VQIMIIECSA-N 419.518 3.371 0 40 HGAB COc1ccc(OC)c([C@H]2CCCN2C(=O)Cn2nnc(-c3ccc(C)cc3)n2)c1 6978897 JUUBUZHJPIMVQF-LJQANCHMSA-N 407.474 3.029 0 40 HGAB CSc1nc2nc(C)c(CCC(=O)O[C@@H](C)C(=O)c3ccc(F)cc3)c(C)n2n1 7743836 DGZTXEJOCLNHEL-ZDUSSCGKSA-N 416.478 3.349 0 40 HGAB CC[C@@H](NC(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1)c1ccc(C)cc1 8163015 JNEXHZFZVBHHGP-HXUWFJFHSA-N 416.543 3.205 0 40 HGAB C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3cccc(CO)c3)cc2)C1 8166197 JWXQDGJJAKSXGP-IYBDPMFKSA-N 402.516 3.098 0 40 HGAB O=C(c1ccco1)N1CCN(C(=O)c2cc(-c3cccnc3)nc3ccccc23)CC1 8190773 PGFCHAMDILVHIS-UHFFFAOYSA-N 412.449 3.488 0 40 HGAB C#CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc1OCC 8477296 KWGOIHCQHUWOAI-XNTDXEJSSA-N 416.861 3.155 0 40 HGAB CC(=O)c1ccc(NC(=O)C[C@@H]2SC(Cc3nc4ccccc4[nH]3)=NC2=O)cc1 8746565 SFLVVKWNQXKUKJ-KRWDZBQOSA-N 406.467 3.377 0 40 HGAB O=C(CCCSc1ccccc1)N1CCN(S(=O)(=O)c2ccccc2)CC1 8771756 ZIQWHJNNRUBILN-UHFFFAOYSA-N 404.557 3.092 0 40 HGAB CCn1cc(C(=O)CSc2nnc(CNC(=O)c3ccco3)n2C)c2ccccc21 9095964 CPBNGNQWYFAUJF-UHFFFAOYSA-N 423.498 3.288 0 40 HGAB CCN(CC(=O)N[C@@H](C)CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 9227407 KFBAPBFIDVRIGC-INIZCTEOSA-N 408.951 3.488 0 40 HGAB CC(=O)N1CCN(c2ccc(Nc3cc(C)nc4nc(-c5ccco5)nn34)cc2)CC1 9561479 SQWYCBLEVNBXSJ-UHFFFAOYSA-N 417.473 3.105 0 40 HGAB O=C(NCc1ccc(N2CCCC2=O)cc1)[C@H]1CCCN(C(=O)Nc2ccccc2)C1 9643824 RWTCZBKEAIFAIH-IBGZPJMESA-N 420.513 3.374 0 40 HGAB COc1ccc(N(CC(=O)NCCCc2ccc(C)cc2)S(C)(=O)=O)cc1Cl 10110455 HMPHAIBXOLCLCO-UHFFFAOYSA-N 424.950 3.172 0 40 HGAB COc1ccc(CNC(=O)CN(c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)cc1 10337408 RCKVFBMJTAABLS-UHFFFAOYSA-N 404.532 3.075 0 40 HGAB CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(N3CCCC3)cc2C)C1=O 11765611 YIKAMCDJDSPIOO-DEOSSOPVSA-N 420.513 3.391 0 40 HGAB Cc1sc(NC(=O)c2ccc3c(c2)OCO3)nc1-c1ccc2c(c1)N(C)C(=O)CO2 11969172 PHQFNWWTZKMTJK-UHFFFAOYSA-N 423.450 3.455 0 40 HGAB CC(C)n1c(CN2CCc3c(nc(-c4ccccn4)[nH]c3=O)C2)nc2ccccc21 12120716 PCJWYGGOKIKNDR-UHFFFAOYSA-N 400.486 3.321 0 40 HGAB Cc1sc2nc(C(C)C)n(C3CCN(CC(=O)NC4CC4)CC3)c(=O)c2c1C 12145445 XTYWPUBOQBDUPT-UHFFFAOYSA-N 402.564 3.114 0 40 HGAB O=C(N[C@@H](Cc1ccsc1)c1nccs1)[C@H]1CC(=O)N(Cc2ccccn2)C1 12227017 IGFZGVGJELYPSN-RDJZCZTQSA-N 412.540 3.048 0 40 HGAB CS(=O)(=O)c1ccc(F)c(NC(=O)COc2ccc(Oc3ccccn3)cc2)c1 12522643 FKGMFHPVQRRKQD-UHFFFAOYSA-N 416.430 3.434 0 40 HGAB COc1ccc([C@H](O)C[C@H]2c3c(cc4c(c3OC)OCO4)CCN2C)cc1OC 12660090 RZTRQDYTALSTEQ-JKSUJKDBSA-N 401.459 3.094 0 40 HGAB biogenic C[C@@]1(c2cccc(Br)c2)NC(=O)N(Cc2nc(-c3ccco3)no2)C1=O 12809470 OAYMFJHWCROFGY-KRWDZBQOSA-N 417.219 3.059 0 40 HGAB CCn1c(-c2ccc(C(C)(C)C)cc2)nn(CN(C)[C@H]2CCS(=O)(=O)C2)c1=S 12931666 YLDSOANGKFKRKF-KRWDZBQOSA-N 422.620 3.475 0 40 HGAB Clc1ccccc1-c1ccc(CN2CCN(c3ccc4nnnn4n3)CC2)s1 12932059 DTGKWPUQPHUPMJ-UHFFFAOYSA-N 411.922 3.223 0 40 HGAB COc1ccc(-c2nnc(SCC(=O)NCc3cccc(Cl)c3)nc2O)cc1 12976505 MMEMTWUVLFWNKI-UHFFFAOYSA-N 416.890 3.315 0 40 HGAB COc1ccc(-c2csc(NC(=O)c3ccc4c(c3)C(=O)N(C)C4=O)n2)cc1F 12979732 FHZFQMXZPYQVBE-UHFFFAOYSA-N 411.414 3.436 0 40 HGAB Cc1ccccc1N1CCN(C(=O)[C@H]2CC(=O)N(Cc3ccccc3Cl)C2)CC1 13102199 PATUMEKDYUKQAD-IBGZPJMESA-N 411.933 3.346 0 40 HGAB COc1ccc(-n2c(S)nnc2-c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 13534667 OGCRKNMKEZEOQJ-UHFFFAOYSA-N 416.528 3.016 0 40 HGAB COc1ccc(CN(C)C(=O)COc2ccc(I)cc2)cc1 14316483 VRZVDALFFHZVCY-UHFFFAOYSA-N 411.239 3.337 0 40 HGAB CCOC(=O)c1cc(NC(=O)c2ccc(N3CCCC3=O)cc2)cc(C(=O)OCC)c1 14699850 VJDZWZLZNFGARI-UHFFFAOYSA-N 424.453 3.419 0 40 HGAB CN(CC(=O)NC12CC3CC(CC(C3)C1)C2)S(=O)(=O)c1ccc(Cl)s1 16022397 OZXVYRAEPCQARP-UHFFFAOYSA-N 402.969 3.107 0 40 HGAB CCOc1ccc(NC(=O)c2ccccc2OC(F)F)cc1S(=O)(=O)N(C)C 18089273 GZTQASVVFBFOMA-UHFFFAOYSA-N 414.430 3.189 0 40 HGAB O=c1[nH]c(-c2ccncc2)nc2c1CCN(Cc1ccc(OC(F)(F)F)cc1)C2 19334450 OWOKTMXEVOPUGE-UHFFFAOYSA-N 402.376 3.289 0 40 HGAB CC(C)NC(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CN(C(=O)C2CC2)CCO1 19449665 NXJYFQGTEOAGKF-QHCPKHFHSA-N 412.555 3.490 0 40 HGAB COc1ccc(C(=O)N[C@H](Cc2cc(=O)[nH]c(C3CCC3)n2)c2ccc(F)cc2)cn1 19561889 VJKRFWVXUGVESH-LJQANCHMSA-N 422.460 3.294 0 40 HGAB CN1CCN(C(=O)[C@@H]2CCCO2)C[C@H](Cc2ccccc2-c2cccc(F)c2)C1=O 19589583 OOOTXAJAUPRVEK-UGKGYDQZSA-N 410.489 3.131 0 40 HGAB Cc1cc(C)nc(N2CCO[C@H](c3cc(C(=O)NC(C)C)c4ccccc4n3)C2)n1 19759365 FXWAXLZSVILKNV-NRFANRHFSA-N 405.502 3.358 0 40 HGAB COc1cc(CNCCN2CCOCC2)cc(Cl)c1OCc1ccccc1F 20028300 MZGMRPPQNLSDMK-UHFFFAOYSA-N 408.901 3.489 0 40 HGAB COc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2C(=O)NCc2ccccc2Cl)c1 22229648 FJYZPTXPQLVHDY-SFHVURJKSA-N 422.934 3.127 0 40 HGAB CS(=O)(=O)N1C[C@H](C(=O)Nc2ccc(Cl)cc2Cl)Oc2ccccc21 22529816 SQZWZJQVVLQMTA-OAHLLOKOSA-N 401.271 3.159 0 40 HGAB Cc1cc(N2CCN(C)CC2)ccc1NC(=O)CSc1ccc2c(c1)OCCO2 22616356 ZXFLAUUDITYNCH-UHFFFAOYSA-N 413.543 3.249 0 40 HGAB Cc1cc(C(=O)CN2CCN(CC(=O)Nc3cccc(F)c3)CC2)c(C)n1C1CC1 22779204 CTEUXGRPXOXHBC-UHFFFAOYSA-N 412.509 3.018 0 40 HGAB O=C(CCc1nnc(-c2ccsc2)o1)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1 23151270 IZOQNSSPCCLTID-MRXNPFEDSA-N 412.471 3.487 0 40 HGAB O=S(=O)(c1cccs1)N1CCN(Cc2csc(-c3ccccc3)n2)CC1 23908463 CDMKSEUCGNZNRH-UHFFFAOYSA-N 405.570 3.378 0 40 HGAB COc1ccc([C@@H](NC(=O)CCc2nc(-c3cccs3)no2)c2nccn2C)cc1 24025923 DRZFMZJQVSJGIU-LJQANCHMSA-N 423.498 3.379 0 40 HGAB O=C(Cn1nnc(-c2cccc(C(F)(F)F)c2)n1)NCCCOCc1ccccc1 24990055 FZMVHABRAGIRAL-UHFFFAOYSA-N 419.407 3.082 0 40 HGAB CCCN(CCC)S(=O)(=O)N1CC=C(c2c(OC)cc(OC)cc2OC)CC1 26766590 WWSJLJMWBZNULP-UHFFFAOYSA-N 412.552 3.168 0 40 HGAB CCOc1cccc(C(=O)Nc2nnc(S(=O)(=O)Cc3ccccc3F)s2)c1 27663944 CODIASOKZOXOMI-UHFFFAOYSA-N 421.475 3.302 0 40 HGAB CC(=O)Nc1cc(NC(C)=O)cc(C(=O)O[C@H](C)C(=O)Nc2ccc(C)cc2C)c1 27909284 GSDALAGQNLYFOB-CQSZACIVSA-N 411.458 3.404 0 40 HGAB COc1ccc(CN(C(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)[C@@H]2CCS(=O)(=O)C2)cc1 28251005 GCPAZEFEFVJBNE-RLLQIKCJSA-N 405.560 3.449 0 40 HGAB O=c1nc2n(Cc3cccc(C(F)(F)F)c3)cccc-2c(=O)n1Cc1cccnc1 32641591 BDXWQJINALBTFB-UHFFFAOYSA-N 412.371 3.020 0 40 HGAB CCc1nnsc1C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCCCCC2)c1 32740600 KSDYISNXRMHQEU-UHFFFAOYSA-N 408.549 3.226 0 40 HGAB CCN(CC)S(=O)(=O)c1c(C)nn(CC(=O)Nc2ccc(Cl)cc2C)c1C 32765081 PEKNOTCBZBZUPK-UHFFFAOYSA-N 412.943 3.131 0 40 HGAB CN1CCN(c2ccc(NC(=O)c3ccc(I)cc3)cc2)CC1 32896557 JHHJUTOKJGEPTD-UHFFFAOYSA-N 421.282 3.295 0 40 HGAB Cc1cccc(C)c1OCC(=O)N1CCN(CC(=O)Nc2ccccc2Cl)CC1 35262665 YUNGZKKULRLOGC-UHFFFAOYSA-N 415.921 3.119 0 40 HGAB CCN(CC(=O)Nc1ccc(OC)cc1)C(=O)CCc1nnc(-c2ccc(C)cc2)o1 39520231 BYCLNILKHDPDFR-UHFFFAOYSA-N 422.485 3.473 0 40 HGAB CCN1CCN(c2ccccc2NC(=O)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 40024686 JHWMHZFSSALMGJ-SFHVURJKSA-N 416.566 3.414 0 40 HGAB C[C@@H]1Cc2ccccc2N1C1CCN(C(=O)CCn2cnc3ccccc3c2=O)CC1 40135631 SVDPYMKZRYTHFJ-GOSISDBHSA-N 416.525 3.229 0 40 HGAB COc1ccccc1OCCNC(=O)c1ccccc1-n1cnc2ccccc2c1=O 40285232 KRNSJCWVQBSFSU-UHFFFAOYSA-N 415.449 3.203 0 40 HGAB O=C(Nc1cccc(S(=O)(=O)Nc2ccccc2)c1)[C@H]1COc2ccccc2O1 46588420 MMOILEKPCGLCRB-HXUWFJFHSA-N 410.451 3.266 0 40 HGAB Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N2CCC[C@H]2c2ccsc2)CC1 48332279 FQIFIQGORKKMIF-KRWDZBQOSA-N 423.560 3.117 0 40 HGAB C[C@@H]1C[C@@H](C)CN(Cc2ccccc2CNC(=O)c2ccc3c(c2)OCC(=O)N3)C1 48333004 OUXLBUFJDKKVCT-IAGOWNOFSA-N 407.514 3.425 0 40 HGAB Cc1cc(C)c(NC(=O)[C@@H](C)OC(=O)[C@H](C)N2C(=O)[C@H]3CCCC[C@H]3C2=O)c(C)c1 48340296 HKQYOONUQPUQTA-XWTMOSNGSA-N 414.502 3.046 0 40 HGAB Cc1cccc(N2C[C@@H](C(=O)NCc3ccccc3-n3ccnc3C)CC2=O)c1C 48354997 ZLUAIEKKKZPBCU-FQEVSTJZSA-N 402.498 3.467 0 40 HGAB CCCC(=O)Nc1ccc(C(=O)[C@H](C)OC(=O)c2n[nH]c(=O)c3ccccc23)cc1 57840960 AZSCJLVUWUODER-ZDUSSCGKSA-N 407.426 3.090 0 40 HGAB COc1ccc(NC(=O)NC[C@@H]([C@@H]2CCOC2)N2CCCC2)c(C(F)(F)F)c1 58268943 CHJKYUKYUUWCNN-DYVFJYSZSA-N 401.429 3.336 0 40 HGAB CC(C)c1noc(-c2cc(=O)n(CC(=O)NCc3ccccc3)c3ccccc23)n1 65154466 OKQUINJRRHOFQF-UHFFFAOYSA-N 402.454 3.491 0 40 HGAB Cc1cccc(-n2c(O)nc3nc(NCc4ccc(F)cc4F)ncc3c2=O)c1C 67263622 PBEOLQUKKISZMY-UHFFFAOYSA-N 409.396 3.388 0 40 HGAB CCc1nccn1-c1cncc(C2CCN(C(=O)Cc3ccc(OC)cc3)CC2)n1 72355322 IHYJWSIBWOCCNJ-UHFFFAOYSA-N 405.502 3.182 0 40 HGAB Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)N1CCNC(=O)[C@@H]1C(C)C 78453502 BZEKECLAVJALTG-INIZCTEOSA-N 407.923 3.281 0 40 HGAB CCOC(=O)Cc1csc(NC(=O)NC2(c3noc(C)n3)CCCCCC2)n1 78821426 LTIQBNUMCZLYRF-UHFFFAOYSA-N 407.496 3.311 0 40 HGAB Cc1cc(=O)c(O)c(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)n1C 79487219 ZEFZXCIKKWIISP-UHFFFAOYSA-N 403.526 3.307 0 40 HGAB CN1CCN(C(=O)Nc2ccc(C(F)(F)F)cc2)[C@@H](CNC(=O)OC(C)(C)C)C1 84240577 LGWUPBNTZCZTEK-HNNXBMFYSA-N 416.444 3.378 0 40 HGAB CO[C@@H]1CCN(CC(=O)Nc2cccc(Cl)c2)[C@H](CNC(=O)OC(C)(C)C)C1 96006542 NKDNGLRTAMQACO-DLBZAZTESA-N 411.930 3.283 0 40 HGAB COc1ccc(NC(=O)[C@H](C)n2nc(-c3ccc(OC)cc3)c(OC)cc2=O)cc1 96101015 VUUNYMHDKYMZHL-AWEZNQCLSA-N 409.442 3.136 0 40 HGAB CC(C)(CO)CNC(=O)c1cnc(-c2noc3cc(N4CCCC4)ccc23)s1 96154565 LZMGXUHSOZOPNY-UHFFFAOYSA-N 400.504 3.300 0 40 HGAB COCCN(C)C[C@@H]1CO[C@]2(CCCN(C(=O)c3ccc(-n4cccc4)cc3)C2)C1 96228485 MMBOYRGCCJLLQY-HYBUGGRVSA-N 411.546 3.067 0 40 HGAB Cc1nn(-c2nc3ccccc3o2)c(O)c1[C@H]1CC(=O)N(c2cccc(F)c2)C1=O 100068957 ABFPQOUPMDOFAY-CQSZACIVSA-N 406.373 3.214 0 40 HGAB COc1ccc(CCNS(=O)(=O)c2cc(C(=O)O)ccc2NCCC(C)C)cc1 217488060 BCDIRHHATJFXOM-UHFFFAOYSA-N 420.531 3.372 0 40 HGAB Cc1cccc(CNC(=O)COc2ccc(S(=O)(=O)N3CCCCC3)cc2C)c1 222782400 PBYLEKWICZKQNT-UHFFFAOYSA-N 416.543 3.173 0 40 HGAB COc1ccccc1C(=O)N1c2ccc(S(=O)(=O)N3CCCCC3)cc2C[C@@H]1C 223090577 NDFOFYPJGBVBQZ-INIZCTEOSA-N 414.527 3.461 0 40 HGAB CC[C@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)COc1cccc(Cl)c1 223457199 HINSBNGZZQEBOQ-LJQANCHMSA-N 404.894 3.281 0 40 HGAB Cc1ccc(-c2noc(CNS(=O)(=O)Cc3ccc(Br)cc3)n2)cc1 223652765 LKCNLKBJJPBOCO-UHFFFAOYSA-N 422.304 3.427 0 40 HGAB COc1ccc(S(=O)(=O)N(C)Cc2cccs2)cc1I 223733916 UBAJRPHMMQXJJP-UHFFFAOYSA-N 423.297 3.182 0 40 HGAB CCOC(=O)c1cccc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c1C 225567783 XUZJTYZOKZDWKD-UHFFFAOYSA-N 416.499 3.209 0 40 HGAB COc1ccc2cc(C(=O)N3CCN(c4cc(C(F)(F)F)nc(C)n4)CC3)[nH]c2c1 225732801 KTZDMLRDLYFKGX-UHFFFAOYSA-N 419.407 3.256 0 40 HGAB Fc1ccc(CCCNC(=S)Nc2nc(Cl)cc(N3CCOCC3)n2)cc1 225969822 DBHIKNSRWRCOFN-UHFFFAOYSA-N 409.918 3.025 0 40 HGAB Cc1ccc(S(=O)(=O)Nc2cc(Br)c3nc(NN)sc3c2)cc1 226314445 CIHKUPRESYKMFA-UHFFFAOYSA-N 413.322 3.454 0 40 HGAB COc1ccccc1C(=O)N1CCN(C)C(=O)[C@H]1Cc1cccc(-c2cccnc2)c1 257233410 GPDWGPYADYTKGI-JOCHJYFZSA-N 415.493 3.283 0 40 HGAB Cc1nc([C@@H]2CCCN(Cc3ccncc3)C2)nc(C)c1CC(=O)N1CCCCC1 257306157 STDWTPHEJZLHFQ-OAQYLSRUSA-N 407.562 3.423 0 40 HGAB Cc1ccc(CN2CCC3(CC2)COCc2nnc(C(=O)N4CCCC[C@H]4C)n23)cc1 306137607 RBEVKVLHWIDONW-LJQANCHMSA-N 423.561 3.123 0 40 HGAB O=C1c2cccn2[C@@H]2CN(Cc3ccc4c(c3)OCO4)C[C@H]2N1Cc1ccccc1 306140283 UOWICAOSLDFADU-NHCUHLMSSA-N 401.466 3.298 0 40 HGAB CC(=O)N(C)c1ncc(-c2nc(C(=O)Nc3cccc(C)n3)c3ccccn23)s1 306142471 XAFLCZJIUKRUPZ-UHFFFAOYSA-N 406.471 3.396 0 40 HGAB COc1ccc(-c2cccc3nc([C@@H]4CN(C(=O)c5cccnc5)CCO4)cn23)cn1 306144697 ZMJGRAJKVSJZSW-FQEVSTJZSA-N 415.453 3.014 0 40 HGAB CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1 408605683 NGOJLCBMQPJQLY-LLVKDONJSA-N 402.394 3.020 0 40 HGAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccc(F)cc2)cc1Cl 408608811 SKHYRMGZHWKGHU-LLVKDONJSA-N 400.859 3.183 0 40 HGAB Cc1nc(-c2ccc(S(=O)(=O)NCC3CCN(CC(F)(F)F)CC3)cc2)co1 444214035 OYEHSPPYLCQZCS-UHFFFAOYSA-N 417.453 3.203 0 40 HGAB O=C(C[C@@H]1CN(C(=O)c2cc3ccccc3[nH]2)Cc2ccnn21)NCc1cccs1 585095897 SUAGBMCFFBJZOT-QGZVFWFLSA-N 419.510 3.330 0 40 HGAB CN1CCOc2ccccc2CCCCC2(CCN(C(=O)c3nccn3C)CC2)C1 643570367 BLAUVFPZDOTNDF-UHFFFAOYSA-N 410.562 3.380 0 40 HGAB CS(=O)(=O)c1ccc(CCC(=O)NC[C@H](O)c2ccc(-c3cccs3)o2)cc1 1888972899 IQRFNDUIFNJHES-INIZCTEOSA-N 419.524 3.194 0 40 HGAB COc1ccc(OC)c(C(=O)Cn2cnc3c(cnn3-c3ccccc3Cl)c2=O)c1 1330954 VDAXZCWXYQBYDW-UHFFFAOYSA-N 424.844 3.136 0 40 HGAB CN(C)C[C@@H](O)CN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccccc1 1829057 LIHDYPZAJXATFM-CQSZACIVSA-N 403.331 3.111 0 40 HGAB CCSc1nnc(C(F)F)n1NC(=O)[C@H](C)Cn1nc(C(F)(F)F)cc1C 2792115 QPFMCHSLCIAAJP-SSDOTTSWSA-N 412.388 3.258 0 40 HGAB Cc1ccc(CNC(=O)c2ccccc2NC(=O)CSc2nnc(N)s2)cc1 3444798 SUEDPPQNKHTXEY-UHFFFAOYSA-N 413.528 3.090 0 40 HGAB CC[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)Nc2ccccc2OC)C1=O 3464402 XIWXXYPNBQBTBV-FQEVSTJZSA-N 401.850 3.144 0 40 HGAB COc1ccc(NC(=O)CN(C)CC(=O)NC(c2ccccc2)c2ccccc2)cc1 3541481 KWBIZXHTVHETDU-UHFFFAOYSA-N 417.509 3.471 0 40 HGAB CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)N(CC(F)(F)F)[C@@H](C)C2CC2)C1=O 4306656 IYVAOUNMMXYYRK-ORAYPTAESA-N 411.424 3.033 0 40 HGAB C[C@]1(c2cccc3ccccc23)NC(=O)N(CC(=O)NCCc2ccc(F)cc2)C1=O 4306706 RQGXWCKVPFLGPY-XMMPIXPASA-N 419.456 3.105 0 40 HGAB COc1cccc(-c2nnc(S[C@H](C)C(=O)Nc3ccc4c(c3)OCO4)n2C)c1 4520779 KQBLFPYAHVUABM-GFCCVEGCSA-N 412.471 3.339 0 40 HGAB CCC(=O)c1ccc(OCC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)cc1 5636533 VFDOSBRCFGDQQI-UHFFFAOYSA-N 416.499 3.081 0 40 HGAB COc1ccc(C(=O)NCC(=O)OCc2csc(-c3ccccc3)n2)cc1OC 7061176 NNXLDOAKKYQMAX-UHFFFAOYSA-N 412.467 3.301 0 40 HGAB COc1ccccc1N1CCN(C(=O)C[C@H]2c3ccccc3C=CN2C(C)=O)CC1 7752087 FNZRBLFHEZBLDJ-QFIPXVFZSA-N 405.498 3.308 0 40 HGAB C[C@H](NC(=O)COC(=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1)c1ccccc1 8039992 XSCMBYVYKKAFMT-HOCLYGCPSA-N 400.862 3.114 0 40 HGAB O=C(CC[C@H]1N=C2c3ccccc3NC(=S)N2C1=O)NCc1ccccc1Cl 8380223 LTTMUYCBJPFRRE-MRXNPFEDSA-N 412.902 3.104 0 40 HGAB COc1cccc(OCc2nnc3n2N=C(c2ccccc2)[C@@H](CC(=O)O)S3)c1 8391805 YYYPSNXASYOEMZ-MRXNPFEDSA-N 410.455 3.067 0 40 HGAB COc1ccc(NC(=O)COC(=O)CCC(=O)Nc2c(C)cccc2C)c(OC)c1 8433713 INYIVFCXWRHRHO-UHFFFAOYSA-N 414.458 3.221 0 40 HGAB CCCNc1nc(SC)nc2c1cnn2CCNC(=O)Cc1ccc(Cl)cc1 8940781 LIENMJCHWNSDPG-UHFFFAOYSA-N 418.954 3.382 0 40 HGAB Cc1ccc(-c2cc(-c3nnc(SCC(=O)Nc4ccccc4C)n3N)[nH]n2)cc1 9011776 DEAKWBYEGIPAMS-UHFFFAOYSA-N 419.514 3.397 0 40 HGAB COc1ccccc1N1C(=S)N(Cc2ccc(Cl)cc2)[C@H]2CS(=O)(=O)C[C@H]21 9306078 GQGTXPKSRXOYPX-DLBZAZTESA-N 422.959 3.121 0 40 HGAB CCCn1c(S[C@H](C)C(=O)NC[C@H]2CCCO2)nc2sc(CC)cc2c1=O 9362203 VUDHVQIHWOJDLU-CHWSQXEVSA-N 409.577 3.206 0 40 HGAB Cc1cc(C(=O)CN2C(=O)CC3(CCCC3)C2=O)c(C)n1Cc1ccc2c(c1)OCO2 9376947 LKNJMBRTXHIQQK-UHFFFAOYSA-N 422.481 3.384 0 40 HGAB NC(=O)Cc1ccc(C(=O)CSc2nnc(Cc3cccs3)n2C2CC2)s1 9815671 VYJKAURNCTYJDG-UHFFFAOYSA-N 418.569 3.330 0 40 HGAB CCOc1ccc(-c2ccc(OCCNS(=O)(=O)c3ccc(F)cc3)nn2)cc1 9853019 PMTCXVDJGRYAFN-UHFFFAOYSA-N 417.462 3.039 0 40 HGAB COc1ccc(N([C@H](C)C(=O)Nc2ccccc2OC)S(C)(=O)=O)cc1Cl 10331833 OAJXVWNSNVIVSO-GFCCVEGCSA-N 412.895 3.150 0 40 HGAB CCNS(=O)(=O)c1ccc(C(=O)O[C@H](C)c2nnc(-c3cccc(C)c3)o2)cc1 11979292 LDDZDZHNMMWCEP-CQSZACIVSA-N 415.471 3.261 0 40 HGAB COc1ccc(/N=c2\oc3cc(O)ccc3cc2C(=O)NC[C@@H]2CCCO2)c(OC)c1 12706203 QMKUWGUGYOQLNT-KZIRDTCISA-N 424.453 3.297 0 40 HGAB COc1ccc(CN(C)C(=O)CN(C)CC(=O)Nc2ccccc2Cl)cc1F 12818602 OOCKBKQOUQIUNK-UHFFFAOYSA-N 407.873 3.017 0 40 HGAB CCOC(=O)c1cc(Cl)c(OCC(=O)Nc2sccc2C(N)=O)c(Cl)c1 12985557 OZNMWCNCSJXGEF-UHFFFAOYSA-N 417.270 3.348 0 40 HGAB Nc1nc(SCC(=O)N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccco2)n[nH]1 13684086 SZXYQZOFHAITDO-ZDUSSCGKSA-N 402.867 3.103 0 40 HGAB Cc1nn(C)cc1CNC(=O)C(=O)Nc1ccc(-c2nc3ccccc3s2)cc1 13723007 LHFUITCBDKULTN-UHFFFAOYSA-N 405.483 3.260 0 40 HGAB C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)Oc3ccc(Cl)cc3)c2)C[C@@H](C)O1 14466061 QGNDAAGCLIFLFU-OKILXGFUSA-N 409.891 3.357 0 40 HGAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc2c(c1)NC(=O)[C@H](C)S2 14594866 CRXXCVJXUKRFRF-JTQLQIEISA-N 416.455 3.175 0 40 HGAB COC(=O)[C@H](NC(=O)Nc1cc(-c2n[nH]c(=O)c3ccccc23)ccc1C)C(C)C 16021371 OEGPOUFNKAKSCJ-GOSISDBHSA-N 408.458 3.218 0 40 HGAB Cc1ccc(NC(=O)CCc2nc3cc(S(=O)(=O)N(C)C)ccc3n2C)cc1C 16506258 QILKQTNWLBLJKM-UHFFFAOYSA-N 414.531 3.012 0 40 HGAB Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)c1cn2c(C)cccc2n1 17862125 IZRFCWJDZFXONF-UHFFFAOYSA-N 415.291 3.424 0 40 HGAB COc1cc(CN2C[C@@H]3C[C@@H](O)CN3C[C@@H]2Cc2ccccc2)ccc1OC(C)C 19450780 BWNXHDWLQWTTNZ-RJGXRXQPSA-N 410.558 3.345 0 40 HGAB COc1ccc(CN(Cc2ccnc(N3CCCC3)n2)C[C@@H]2CCCO2)cc1OC 19560717 NYTGRDZQCYAVKX-FQEVSTJZSA-N 412.534 3.275 0 40 HGAB COc1ccc(-c2nnc3n2[C@H]2CCCC[C@H]2N(C(=O)c2cccnc2)C3)cc1OC 19561690 MTJCJODGHZFANG-MSOLQXFVSA-N 419.485 3.497 0 40 HGAB COc1cccc(CN2CCO[C@](Cc3cccc(-c4cccnc4)c3)(C(N)=O)C2)c1 19565390 YSBZYRZUYRKBHZ-VWLOTQADSA-N 417.509 3.056 0 40 HGAB COc1ccc(S(=O)(=O)CCC(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)cc1 19661703 OXRUZBOHVINRNS-GOSISDBHSA-N 403.500 3.278 0 40 HGAB O=C(CS(=O)(=O)c1ccc(Br)cc1)Nc1ccccc1OC(F)F 19823122 CRQNNLGACQQHNY-UHFFFAOYSA-N 420.231 3.463 0 40 HGAB C[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H](C(=O)OCc2ccccc2)C[C@@H]2CCC[C@@H]21 22053451 BCJKLFKSFUPVLA-WNHJNPCNSA-N 416.518 3.413 0 40 HGAB in-vitro CC[C@@H](NC(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O)c1ccc(C)cc1C 22332774 SHDUNGBFELPPND-HXUWFJFHSA-N 404.532 3.346 0 40 HGAB Cc1sc2ncn(CCC(=O)NCc3ccccc3OC(F)F)c(=O)c2c1C 22416725 PZZNHCRNPVHXRH-UHFFFAOYSA-N 407.442 3.383 0 40 HGAB C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@H](CN4CCN(c5ccccc5)CC4)[C@H]3[C@H](O)[C@@]21C 22454334 MAJIMOBMGHQQSS-VEMNPONZSA-N 410.558 3.094 0 40 HGAB biogenic Cc1ccc(CNC(=O)C(=O)NC[C@H](c2ccco2)N2CCc3ccccc3C2)cc1 22907270 NKJABBHHRCMOQJ-JOCHJYFZSA-N 417.509 3.120 0 40 HGAB CCOC(=O)c1sc(N(Cc2ccccc2)C(=O)COC(=O)[C@@H]2C[C@H]2C)nc1C 23514816 QDGWGYDAENGDOE-CZUORRHYSA-N 416.499 3.361 0 40 HGAB COc1ccc(OC)c([C@H]2CCCN2CN2C(=O)NC3(CCC(C)CC3)C2=O)c1 23673839 XNANNAIYBPPHDO-GXPWMBGSSA-N 401.507 3.299 0 40 HGAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)NCCCc1nc2ccccc2[nH]1 25072889 RHDWRAKPILIKAC-INIZCTEOSA-N 403.490 3.479 0 40 HGAB Cc1ccc(C)c(S(=O)(=O)N2CCN(Cc3ccc(O)c4ncccc34)CC2)c1 25286197 OKYRYCAREFYSDD-UHFFFAOYSA-N 411.527 3.064 0 40 HGAB Cc1ccc(-c2nc(C)c(C(=O)NN3C(=O)N[C@](C)(c4ccccc4)C3=O)s2)o1 31227842 ZJIDIILNLMOONL-HXUWFJFHSA-N 410.455 3.132 0 40 HGAB COc1ccc(-c2noc(CCNC(=O)COc3ccc(Cl)c(C)c3)n2)cc1 32624365 FTONLEBIXAHLJY-UHFFFAOYSA-N 401.850 3.445 0 40 HGAB COc1ccccc1[C@H](CNC(=O)C1CCN(C(=O)c2ccsc2)CC1)N(C)C 32695601 HJFJNULCKSDYIJ-IBGZPJMESA-N 415.559 3.028 0 40 HGAB CC(=O)c1cc2c(cc1NC(=O)CCn1c(=O)oc3cc(Cl)ccc31)OCO2 32747500 JWBZGBTYUKIFQD-UHFFFAOYSA-N 402.790 3.208 0 40 HGAB Cc1nn(Cc2ccccc2)c(C)c1CNS(=O)(=O)c1ccc2oc(=O)ccc2c1 32759345 JJQVORPUSLYDBJ-UHFFFAOYSA-N 423.494 3.133 0 40 HGAB COc1ccccc1[C@@H](NC(=O)C[C@@H]1Sc2ccccc2NC1=O)c1nccn1C 32905112 LYEYNHSCAQLIST-AZUAARDMSA-N 422.510 3.137 0 40 HGAB C[C@H](OC(=O)C1CCN(C(N)=O)CC1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 32950489 RSKXQMSMMJQAPN-VIFPVBQESA-N 421.803 3.020 0 40 HGAB Cc1cccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2Cc3ccccc3CN2)c1 35485599 ODFZDUBGHQRKHS-ZEQRLZLVSA-N 413.521 3.376 0 40 HGAB Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)CCCOc2ccccc2)CC1 36389686 OMZRINYCFQECTP-UHFFFAOYSA-N 409.530 3.245 0 40 HGAB Cc1nn(CC(=O)N[C@@H](CC(=O)OC(C)C)c2ccccc2)c(C)c1Br 40152601 QDOWLTYFHFUGDH-INIZCTEOSA-N 422.323 3.462 0 40 HGAB CCOC(=O)c1ccc(S(=O)(=O)NC[C@H](c2ccc(CC)cc2)N(C)C)cc1 40161406 ORAZKKZKTFXFLA-HXUWFJFHSA-N 404.532 3.007 0 40 HGAB CC(C)COc1ccc(NC(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)cc1Cl 44348361 VWSDGQQAAPEKQR-GOSISDBHSA-N 409.914 3.230 0 40 HGAB COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)COc1ccc(Cl)cc1 44839599 KXWFNKJXLFNPNB-UHFFFAOYSA-N 412.895 3.053 0 40 HGAB COCCn1cnc2c(-c3ccccc3)cn(CC(=O)Nc3ccccc3F)c2c1=O 48987176 ZZXPFOKCCDHJFM-UHFFFAOYSA-N 420.444 3.289 0 40 HGAB COc1ccc(OCc2noc(CNC(=O)c3cc(-c4ccc(F)cc4)n[nH]3)n2)cc1 49027337 XKUZBPXWXBRMAC-UHFFFAOYSA-N 423.404 3.116 0 40 HGAB O=S(=O)(c1ccc(F)cc1)N1CCCN(Cc2cc(-c3cccs3)on2)CC1 57350725 YNNKOHRCNAHGCI-UHFFFAOYSA-N 421.519 3.439 0 40 HGAB COc1ccc(NC(=O)Cn2cnc3c(cnn3-c3cc(Cl)ccc3C)c2=O)cc1 57428292 JOWJWYLQVSGVIY-UHFFFAOYSA-N 423.860 3.191 0 40 HGAB CCOC(=O)c1cnn(-c2cccc(NC(=O)N[C@@H]3CCN4CCCC[C@H]34)c2)c1C 58344938 NGKRZSJVLWQIOY-WOJBJXKFSA-N 411.506 3.106 0 40 HGAB O=C(O)Cc1ccc(NC(=O)c2cc3c([nH]c2=O)C[C@H](c2ccccc2)CC3=O)cc1 64775546 BRJHQVOQDFMSSH-INIZCTEOSA-N 416.433 3.167 0 40 HGAB CN(c1ccsc1C(=O)NC[C@H]1CCCO1)S(=O)(=O)c1ccc(Cl)cc1 67245564 VNGXFRWQPQKOTI-CYBMUJFWSA-N 414.936 3.135 0 40 HGAB CN(CCOc1ccc(Cl)cc1)C(=O)CN1C(=O)NC2(CCCCCCC2)C1=O 89346345 SBIHDLDSAMVKOX-UHFFFAOYSA-N 421.925 3.212 0 40 HGAB COC(=O)c1cc(-c2ccnc(F)c2)nc(N2CCN(C(=O)OC(C)(C)C)CC2)c1 91690002 CBXOTHVMMLVTGZ-UHFFFAOYSA-N 416.453 3.126 0 40 HGAB C[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)c3ccc4nsnc4c3)cc2)C1 95457310 QFUCBYPCXCUCBX-ZDUSSCGKSA-N 416.528 3.364 0 40 HGAB CN(CCN(C)C(=O)[C@@]1(C)CCCN(C(=O)c2ccccc2)C1)C(=O)OC(C)(C)C 95982769 YKCARWINOBESAW-QHCPKHFHSA-N 417.550 3.254 0 40 HGAB O=C(N[C@H]1CCCc2cn(CC(F)(F)F)nc21)c1ccccc1N1CCOCC1 96002993 QDWMUDUHLUUEST-INIZCTEOSA-N 408.424 3.089 0 40 HGAB O=S(=O)(NCCn1nc(-c2cccs2)cc1C1CC1)c1ccc2c(c1)CCO2 96121630 FQRVYIKGLGVKNW-UHFFFAOYSA-N 415.540 3.402 0 40 HGAB COc1ccc2c(c1)O[C@@]1(C[C@@H]3CC[C@@H]1C[C@@H]3C(=O)NCc1ccc(F)cc1)NC2=O 100181586 NNELNDWZICFSLK-ZFLJKGDWSA-N 424.472 3.405 0 40 HGAB COc1ccccc1-c1cc2ncc3c(n2n1)C[C@H]1CC[C@H]3N1C(=O)c1ccn(C)n1 100752842 PGCNGFHYCPRTJD-AUUYWEPGSA-N 414.469 3.040 0 40 HGAB CCOc1ccc(N(CC(=O)N[C@@H](C)CC)S(=O)(=O)c2ccc(F)cc2)cc1 113937186 LSCRRNBCFSWJNF-HNNXBMFYSA-N 408.495 3.334 0 40 HGAB CC[C@H](NC(=O)[C@@H](C)N(c1cccc(F)c1)S(C)(=O)=O)c1ccc(OC)cc1 113967616 KCUUXAVSPQPJRT-KUHUBIRLSA-N 408.495 3.256 0 40 HGAB CC(=O)c1ccc(NC(=O)COC(=O)c2ccc(NC(=O)C(F)(F)F)cc2)cc1 138945968 YJPRXFMBBPEBGP-UHFFFAOYSA-N 408.332 3.186 0 40 HGAB CC[C@@H](C(=O)Nc1ccc2c(c1)OCO2)N(c1cc(C)ccc1C)S(C)(=O)=O 220536381 BECABGMMGLUWMJ-INIZCTEOSA-N 404.488 3.215 0 40 HGAB CNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN1C(=O)c2cccc3cccc1c23 222467136 HJFUXAFTDOPZPO-QGZVFWFLSA-N 415.493 3.272 0 40 HGAB Cc1ccc(CCCNC(=O)CCCN(c2ccccc2F)S(C)(=O)=O)cc1 222659115 JLRFZGUHMVBQKI-UHFFFAOYSA-N 406.523 3.429 0 40 HGAB COc1ccc(OC)c([C@@H](C)NC(=O)c2ccc(NS(C)(=O)=O)cc2Cl)c1 222925215 OWMXTZLMBCIEBL-LLVKDONJSA-N 412.895 3.220 0 40 HGAB COc1ccccc1CCCNS(=O)(=O)c1cc(Br)ccc1OC 223303470 TXMXBNSHEVYLDJ-UHFFFAOYSA-N 414.321 3.377 0 40 HGAB Cc1cc(C)c([C@H](C)NC(=O)CN(Cc2ccccc2F)S(C)(=O)=O)cc1C 223499583 TUUOOFHZLMQCIC-KRWDZBQOSA-N 406.523 3.390 0 40 HGAB CCOCc1cc(C(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)ccc1OC 224409026 QJIGBFRAJLTJAM-UHFFFAOYSA-N 401.415 3.057 0 40 HGAB Cc1ccc(C)c([C@H](C)NC(=O)[C@@H](C)Oc2ccc(N(C)S(C)(=O)=O)cc2)c1 225698232 MMQDURZULUKXPQ-DLBZAZTESA-N 404.532 3.344 0 40 HGAB OC[C@@H]1CCCN(c2ncc3c(n2)C[C@H]2CC[C@H]3N2Cc2cccc(F)c2F)C1 247878966 UZHFFBBYYLGTCA-AKCHCHLHSA-N 400.473 3.225 0 40 HGAB COc1ccc(CN2CCNC(=O)[C@@H]2Cc2cccc(-c3ccncc3)c2)c(OC)c1 257267061 MFUJDZOMWHYGCN-QHCPKHFHSA-N 417.509 3.309 0 40 HGAB CO[C@H]1CC[C@H](C(=O)N2CCC(Cn3nc(-c4cccs4)ccc3=O)CC2)CC1 257269745 MRFDSRBXTUZMFS-IYARVYRRSA-N 415.559 3.416 0 40 HGAB COc1ccccc1CN1CCN(C)[C@H](c2cn3c(N4CCCC4)cccc3n2)C1 306126309 DSHPGEDSSQSENQ-NRFANRHFSA-N 405.546 3.432 0 40 HGAB COc1cccc(CN2CCN(c3nccn4c(-c5ccncc5)cnc34)CC2)c1 306136393 PSHMFGCWYRKWGM-UHFFFAOYSA-N 400.486 3.122 0 40 HGAB COCCN1CC[C@]2(CN(Cc3cccc(F)c3)C[C@@H]2c2cn(C(C)C)cn2)C1=O 306142629 XFANLWNYGVXSAO-NFBKMPQASA-N 414.525 3.068 0 40 HGAB CCCNS(=O)(=O)c1ccc(OCC(=O)N(C)Cc2ccccc2)c(Cl)c1 408533998 RXRIPZJFJNAJAY-UHFFFAOYSA-N 410.923 3.066 0 40 HGAB CCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(F)cc2)c(Cl)c1 408557926 PKKXWSFGLVRNOC-UHFFFAOYSA-N 400.859 3.185 0 40 HGAB COC(=O)c1cc(NC(=O)CSCc2ccc(OC)cc2)cc(C(=O)OC)c1 408573336 BMKRXVHFRRZAPX-UHFFFAOYSA-N 403.456 3.140 0 40 HGAB O=C(O)CN1C(=O)N/C(=C/c2ccccc2OCc2ccc3ccccc3c2)C1=O 408596434 ZDBLJXLFOVLCNC-XDHOZWIPSA-N 402.406 3.396 0 40 HGAB O=C(NCCCO)Nc1ccc2nc(-c3ccccn3)c(-c3ccccn3)nc2c1 408978847 NOKPJONOXRVBIS-UHFFFAOYSA-N 400.442 3.258 0 40 HGAB CCOc1cc(C(=S)N2C[C@H](C)O[C@H](C)C2)cc(I)c1O 409253538 ZMWNANTUVVRMRJ-AOOOYVTPSA-N 421.300 3.180 0 40 HGAB Cc1ncc2c(n1)CC[C@H](NC(=O)N1CCO[C@H](c3ccc(OC(F)F)cc3)C1)C2 535033558 WONHIYFCTYPEFU-LPHOPBHVSA-N 418.444 3.027 0 40 HGAB Cc1ccc(C(=O)N[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)cc1NS(C)(=O)=O 537161452 LFCWNOXXXBDBSR-AEFFLSMTSA-N 408.907 3.280 0 40 HGAB O=C(CN1CCOC2(CCOCC2)CC1)N[C@@H](Cc1ccccc1)c1ccccc1 545974954 RGWAMYNXSOHSCP-QHCPKHFHSA-N 408.542 3.358 0 40 HGAB O=S(=O)(NCc1nc(C2CCC(F)(F)CC2)no1)c1ccc(-n2cccn2)cc1 575616390 KJYNTRFNQHFAFJ-UHFFFAOYSA-N 423.445 3.027 0 40 HGAB CN(C)[C@@H](CNS(=O)(=O)c1ccc2c(c1)OCCO2)c1csc2ccccc12 575621744 SKIXOLHXJKPGJV-KRWDZBQOSA-N 418.540 3.254 0 40 HGAB CS(=O)(=O)c1nc(C(=O)NCCc2cccc(-c3ccccc3)c2)c2ccccn12 1540917765 DLYOTUCZMXSQCI-UHFFFAOYSA-N 419.506 3.377 0 40 HGAB CN(C)CCCn1c(=N)n(C[C@H](O)c2ccc(Br)cc2)c2ccccc21 1237075 ZOXORTFDXCFOKL-IBGZPJMESA-N 417.351 3.370 0 40 HGAB COCCN1C(=O)c2ccc(C(=O)O[C@@H](C)C(=O)c3ccc(Cl)cc3)cc2C1=O 2710260 NFIUIRCOKLSOJL-LBPRGKRZSA-N 415.829 3.011 0 40 HGAB CCOC(=O)c1ccccc1NC(=O)COC(=O)c1ccccc1Br 3507013 RBKNYJDQIGYITA-UHFFFAOYSA-N 406.232 3.421 0 40 HGAB COc1ccc2[nH]c3c(c2c1)CCN1C(=O)N(c2ccccc2C(=O)O)C(=O)[C@]31C 4073665 NNTRRDQQBLWAIM-QFIPXVFZSA-N 405.410 3.115 0 40 HGAB biogenic O=C(/C=C/c1ccccc1)Nc1nnc(SCC(=O)Nc2nccs2)s1 4078124 YGAQOENAZWJZPF-VOTSOKGWSA-N 403.514 3.377 0 40 HGAB COc1ccc(CNC(=O)Cc2c(C)c3ccc(OC)c(C)c3oc2=O)cc1OC 4540677 LIGJFZPHYSBYOH-UHFFFAOYSA-N 411.454 3.295 0 40 HGAB COc1ccc(CCNC(=O)CCC(=O)NC23CC4CC(CC(C4)C2)C3)cc1OC 4599861 UEXFIEVTOUKOHN-UHFFFAOYSA-N 414.546 3.228 0 40 HGAB COC(=O)[C@@H](CC(C)C)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O 4649028 ZMHPDEQWRGCZHR-XGQIVCTBSA-N 403.478 3.466 0 40 HGAB CCOc1ccccc1NC(=O)CSc1nnc2ccc(-c3cccnc3)nn12 5168438 LVQGLHXRPQESKD-UHFFFAOYSA-N 406.471 3.316 0 40 HGAB CCOC(CSc1nnc2n1-c1sc3c(c1-c1ncnn1-2)CCCC3)OCC 5556499 HJZGETWKIZTVKI-UHFFFAOYSA-N 418.548 3.260 0 40 HGAB CC1(C)C(=O)Nc2ccccc2N1C(=O)COC(=O)COc1ccc(Cl)cc1 5615687 VXDMJXXXPDZZRH-UHFFFAOYSA-N 402.834 3.026 0 40 HGAB O=C(Cc1n[nH]c(=O)c2ccccc12)Oc1ccc(C(=O)c2ccc(F)cc2)cc1 6082918 MWNCAGXBXPVENC-UHFFFAOYSA-N 402.381 3.441 0 40 HGAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)OC(=O)c1cccc(S(=O)(=O)N(C)C)c1 6384671 MDPCRRWOMNTUOU-CQSZACIVSA-N 414.483 3.155 0 40 HGAB CCOC(=O)C1CCN(C(=O)COc2ccc(Cl)cc2Br)CC1 6497406 GZGQWNPAJAIOQY-UHFFFAOYSA-N 404.688 3.283 0 40 HGAB CCCCOC(=O)c1ccc(NS(=O)(=O)c2ccc(OC)c(NC(C)=O)c2)cc1 7055308 YPBLOROBGJHQFX-UHFFFAOYSA-N 420.487 3.411 0 40 HGAB CNC(=O)[C@@H]1CN(C(=O)c2cccc(OCc3c(C)noc3C)c2)c2ccccc2O1 7826419 IFDYMPYZWOVVRV-NRFANRHFSA-N 421.453 3.024 0 40 HGAB O=C(Cc1ccc(-c2ccccc2)cc1)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 8324109 GBNAANSNPXGVDK-FGZHOGPDSA-N 413.539 3.091 0 40 HGAB CCOc1ccc(NC(=O)CCC(=O)OCC(=O)Nc2ccccc2OCC)cc1 8415378 JXEGKMWUAOJXMK-UHFFFAOYSA-N 414.458 3.385 0 40 HGAB C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)N2CCN(S(=O)(=O)c3cccs3)CC2)o1 8982429 KGKFFHNRLUAVSU-HMQGTJFBSA-N 406.529 3.011 0 40 HGAB O=C(CSc1nnnn1C1CC1)Nc1cc(C(F)(F)F)ccc1N1CCCC1 9117965 REHAENLKEVCPQJ-UHFFFAOYSA-N 412.441 3.358 0 40 HGAB CCC(CC)NC(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 9584193 RIPUTBHGTUSDOR-UHFFFAOYSA-N 408.351 3.198 0 40 HGAB CS(=O)(=O)c1ccc(-c2cccc(NC(=O)c3ccc4ccccc4n3)c2)nn1 9626789 NIJBAONRCFCTRV-UHFFFAOYSA-N 404.451 3.348 0 40 HGAB O=C(OCC(=O)N1CCN(c2ccc(F)cc2)CC1)c1ccc2ccccc2c1O 10247172 WUXOUFBHBSQKMS-UHFFFAOYSA-N 408.429 3.190 0 40 HGAB O=C(c1ccc(S(=O)(=O)NCc2ccco2)cc1)N1CCC[C@@H](C(F)(F)F)C1 10290723 ALELQWVGCYYZSK-CQSZACIVSA-N 416.421 3.173 0 40 HGAB CC(=O)Nc1ccc(NC(=O)[C@H](C)N(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1 10338428 WKTKVTKTTXGGDD-ZDUSSCGKSA-N 423.922 3.400 0 40 HGAB Cc1cc2ccncc2n1CC1(O)C[C@@H]2CC[C@H](C1)N2C(=O)c1cnn(C(C)C)c1 12088856 XYSBXYSFFCHTIR-DETIRCLXSA-N 407.518 3.320 0 40 HGAB CC1(C)Cc2nc(-c3cnccn3)ncc2[C@H](NC(=O)Cc2ccc3c(c2)OCO3)C1 12239085 IUTSCSROBCJLDB-MRXNPFEDSA-N 417.469 3.035 0 40 HGAB O=S(=O)(N1CCCC1)N1[C@H]2CC[C@H](C2)[C@@H]1COc1cccc(C(F)(F)F)c1 12408058 PMERYZRFVXHACU-KMFMINBZSA-N 404.454 3.278 0 40 HGAB CC(C)=C[C@@H]1[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)C1(C)C 12615475 SYRRSEUHUXUKCJ-CJNGLKHVSA-N 416.996 3.473 0 40 HGAB C[C@@H](C(=O)N1CCN(Cc2ccccc2)CC1)N1CCC(C(=O)c2ccccc2)CC1 12795581 LRHQWWSYYOQXOP-NRFANRHFSA-N 419.569 3.314 0 40 HGAB CCCCN(Cn1nc(-c2ccc(C)cc2)n(C)c1=S)[C@@H]1CCS(=O)(=O)C1 12933491 RAMSHRZTCYNMBW-QGZVFWFLSA-N 408.593 3.173 0 40 HGAB C[C@@H](Sc1ncnc2c1cnn2-c1ccc(F)cc1)C(=O)NC(=O)NC(C)(C)C 13296412 YZMBRWTTZYSVOX-LLVKDONJSA-N 416.482 3.060 0 40 HGAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NC3CCCC3)C2)cc1Cl 13843141 FRXJNAVCSXNUIG-CQSZACIVSA-N 414.955 3.198 0 40 HGAB CC[C@@]1(C)NC(=O)N(CC(=O)N2N=C(c3cccs3)C[C@H]2c2cccs2)C1=O 14067867 VAJROAJVRFRKNB-ORAYPTAESA-N 416.528 3.208 0 40 HGAB COc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)COc1ccccc1F 14291375 GZCFZLJGOUSFCE-UHFFFAOYSA-N 413.434 3.326 0 40 HGAB C[C@@H](NC(=O)Cn1nc(-c2ccc(F)cc2)oc1=O)c1ccc(Br)cc1 16278222 JKLNRPJNBLVMGT-LLVKDONJSA-N 420.238 3.282 0 40 HGAB COc1ccc(-c2nnc(S)n2CC(=O)N[C@@H](C)c2ccc(F)cc2F)cc1 18015611 KXUYPGDABYVIJD-NSHDSACASA-N 404.442 3.398 0 40 HGAB Cc1cccc2c(=O)[nH]c(CSc3nnc([C@H]4COc5ccccc5O4)o3)nc12 19314705 XZZXLPDIXMYZIV-OAHLLOKOSA-N 408.439 3.419 0 40 HGAB CCN1CCN(C(=O)c2cc[nH]n2)C[C@@H](Cc2ccc(-c3cccs3)cc2)C1=O 19527428 YBGMMSXMOLRHOA-GOSISDBHSA-N 408.527 3.301 0 40 HGAB Cc1c(-c2cc(C(=O)NC[C@H](c3ccc(F)cc3)N3CCCCC3)no2)cnn1C 19554111 JLNXICUGDCDLPX-HXUWFJFHSA-N 411.481 3.480 0 40 HGAB COc1cccc(CN2CCC[C@H](c3cc(C(=O)NCc4ccncc4)on3)C2)c1 19565147 KSDYUHRDWJSARU-IBGZPJMESA-N 406.486 3.388 0 40 HGAB CC1(C)Cc2c(c(N3CCCC3)nc3sc4c(NCCCO)ncnc4c23)CO1 20029358 NJHKTUWMBJSPDZ-UHFFFAOYSA-N 413.547 3.485 0 40 HGAB CCS(=O)(=O)N1c2ccc(C(=O)Nc3ccc(OC)cc3OC)cc2C[C@H]1C 20449120 QKCXNMGISUPEEP-CYBMUJFWSA-N 404.488 3.057 0 40 HGAB COc1ccc([C@H](C)NC(=O)[C@@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)cc1 20450462 QZUNOUCDUJXVFQ-UONOGXRCSA-N 410.923 3.381 0 40 HGAB CCNC(=O)N[C@H]1CC[C@]2(C)CC[C@H]([C@H](C)C(=O)NCc3ccco3)[C@H](O)[C@H]2[C@@H]1C 20467304 HAEVNKBSBWLOMO-HKOCDWSSSA-N 419.566 3.043 0 40 HGAB biogenic,in-vitro CN(C)S(=O)(=O)N(CC(=O)Nc1cccc(Cl)c1Cl)c1ccccc1F 20481856 ATHTWWUCDZGVER-UHFFFAOYSA-N 420.293 3.384 0 40 HGAB CCOC(=O)CSc1nc2nc3c(cn2n1)C(=O)C[C@@H](c1ccc(Cl)cc1)C3 20796031 VTFZSDJTKQPLKS-LBPRGKRZSA-N 416.890 3.346 0 40 HGAB CCCn1c(S[C@@H](C)C(=O)NC[C@@H]2CCCO2)nc2sc3c(c2c1=O)CCC3 21357854 UQOZRCCWTLKLJN-STQMWFEESA-N 421.588 3.133 0 40 HGAB Cc1ccc(CCCNC(=O)CN(c2c(C)cc(C)cc2C)S(C)(=O)=O)cc1 22394453 CNKSKTQZKRPFTO-UHFFFAOYSA-N 402.560 3.435 0 40 HGAB Cc1noc(C(C)C)c1C(=O)N1CCN(Cc2nc(-c3cccs3)no2)CC1 22518850 OESGETVAWNRBOR-UHFFFAOYSA-N 401.492 3.176 0 40 HGAB CCCCNC(=O)CN1CCN(c2nc(C)nc3sc4c(c23)CC[C@H](C)C4)CC1 22810124 KZTZQABHFXEOFV-HNNXBMFYSA-N 415.607 3.163 0 40 HGAB O=C([C@@H]1CCCC[C@H]1C(=O)N1CCc2ccccc21)N1CCN(c2nccs2)CC1 23007705 QXBNBFWQUCIDPB-RTBURBONSA-N 424.570 3.187 0 40 HGAB O=C(CSCc1cc(=O)n2cc(Br)ccc2n1)NCc1cccs1 23412059 JWLJROAJKQZOLZ-UHFFFAOYSA-N 424.345 3.068 0 40 HGAB CN(C)[C@H](CNC(=O)c1ccc(I)cc1)c1cccs1 25608089 JFKRFUSPIWQCEV-CYBMUJFWSA-N 400.285 3.385 0 40 HGAB COc1ccc(-c2nc(CC(=O)O[C@H](C)C(=O)Nc3cc(C)on3)cs2)cc1 27072964 ACNHVJKYKJPHSA-GFCCVEGCSA-N 401.444 3.228 0 40 HGAB COc1ccc(N2C[C@@H](C(=O)N3CCN(c4cccc(Cl)c4)CC3)CC2=O)cc1 28193825 PMMXTBXWQGSEKY-INIZCTEOSA-N 413.905 3.050 0 40 HGAB Nn1c(SCc2ccc(Br)cc2)nnc(Nc2ccccc2)c1=O 28527372 KDIUOAYLGNLXOS-UHFFFAOYSA-N 404.293 3.151 0 40 HGAB CC(=O)c1ccc(N2CCN(C(=O)CSc3ncnc4ccccc34)CC2)c(F)c1 29343718 RNGCRLUZOPNMBM-UHFFFAOYSA-N 424.501 3.412 0 40 HGAB CC(=O)c1cccc(N2C(SCc3ccc(C)cc3)=N[C@@H]3CS(=O)(=O)C[C@H]32)c1 32640767 UYYNHENIARTZJS-WOJBJXKFSA-N 414.552 3.473 0 40 HGAB COc1ccc(Cl)cc1-c1nnc(SCC(=O)Nc2ccc(F)cc2)n1N 32826993 UDCDGPPFULPZHP-UHFFFAOYSA-N 407.858 3.191 0 40 HGAB O=C(c1cccs1)N1CCC(C(=O)N2CCC[C@@H](c3nnc4ccccn34)C2)CC1 32904376 GVDYPJHKMSGFQU-QGZVFWFLSA-N 423.542 3.049 0 40 HGAB O=c1ccc(-c2ccc(F)cc2)nn1CCc1nc(-c2ccc3c(c2)OCO3)no1 33309852 VKCLXYKGNRQFTR-UHFFFAOYSA-N 406.373 3.071 0 40 HGAB Cc1ccc(-c2cc(C(=O)N3CCCCCC3)nn2[C@H]2CCS(=O)(=O)C2)cc1 33325604 JQFYDXDGGGJKHZ-SFHVURJKSA-N 401.532 3.234 0 40 HGAB CCOc1ccccc1N1CCN([C@H](C(=O)O)c2c[nH]c3cc(CO)ccc23)CC1 36353201 FFWXGXBNFPLDDY-QFIPXVFZSA-N 409.486 3.007 0 40 HGAB COc1ccc(CCN2C[C@@H](C(=O)N[C@@H](c3ccccc3)C3CC3)CC2=O)cc1OC 40024451 UPDWNXMQMWDPAX-RDPSFJRHSA-N 422.525 3.362 0 40 HGAB Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)NCc3ccnc(-n4cccn4)c3)C2)c1 40153965 HEWFKXWTAYAHQG-HXUWFJFHSA-N 417.513 3.053 0 40 HGAB CC(C)CNC(=O)c1ccc(NC(=O)c2ccc(N3C[C@@H](C)O[C@H](C)C3)nc2)cc1 55563123 VBSLLOXBZKTMNL-IAGOWNOFSA-N 410.518 3.333 0 40 HGAB C[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc(Cl)cc1)[C@@H]1CCCO1 58789187 JFRPREUQBBOJDW-BEVDRBHNSA-N 400.906 3.365 0 40 HGAB CCc1nnc2c(SCC(=O)Nc3ccc4c(c3)OCCO4)nc3ccccc3n12 64949149 KDZPSOWZUQOIPO-UHFFFAOYSA-N 421.482 3.342 0 40 HGAB CCOC(=O)C1=C(CN2CCCCCC2)NC(=O)N[C@H]1c1ccc(SC)cc1 67286937 FWZBATGFQPOQQE-IBGZPJMESA-N 403.548 3.456 0 40 HGAB CCc1nc(C(=O)N2CC[C@@H](N3CCCC3)C2)nn1-c1c(Cl)cccc1Cl 69982361 SPLUCSBYTLLQBN-CYBMUJFWSA-N 408.333 3.447 0 40 HGAB Cc1ccc([S@](=O)(=S)OCCO[S@@](=O)(=S)c2ccc(C)cc2)cc1 83411097 TWMOMQTUICHMNW-DNQXCXABSA-N 402.584 3.077 0 40 HGAB O=C(/C=C/c1cc(Cl)c2c(c1)OCO2)N1CCN(Cc2nc3ccccc3[nH]2)CC1 89866485 NWCOBTNJXNZBNV-AATRIKPKSA-N 424.888 3.303 0 40 HGAB COc1ccc([C@H](C)NC(=O)N[C@H](C)c2cccc(NS(C)(=O)=O)c2)cc1OC 89905254 ZMCWMEZTJPLSAN-KGLIPLIRSA-N 421.519 3.197 0 40 HGAB Cc1nn(Cc2noc(C(=O)N[C@H](C)[C@H]3C[C@H]4CC[C@H]3C4)n2)c(C)c1Br 102637824 VSNPFOQHCFICOJ-IGJVIKARSA-N 422.327 3.248 0 40 HGAB Cc1cc(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)Nc3ccc(Cl)c(Cl)c3)[C@H]4C2=O)no1 106015612 NYEDVTVEGVOBGG-JNNRSPCRSA-N 420.252 3.215 0 40 HGAB COC(=O)[C@H]1C[C@H](Oc2ccccc2F)CN1C(=O)c1ccc(Br)o1 206801891 UPPWLHWSXHLQRI-CMPLNLGQSA-N 412.211 3.016 0 40 HGAB CSc1cccc(N(CC(=O)NCCSCc2ccccc2)S(C)(=O)=O)c1 220062393 QZEOQWSHABZGGD-UHFFFAOYSA-N 424.613 3.224 0 40 HGAB CCNC(=O)c1cc(S(=O)(=O)N[C@H](C)c2ccc3c(c2)CCCC3)ccc1OC 222953857 OYBUOJUGMFRAJM-OAHLLOKOSA-N 416.543 3.363 0 40 HGAB CCOc1ccc(-c2noc(CNC(=O)C3(c4ccccc4)CCOCC3)n2)cc1 223149550 KIFGNPNEWSPDQO-UHFFFAOYSA-N 407.470 3.500 0 40 HGAB CC(C)n1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1CCCN1CCOCC1 223192775 AKWGVBPBAONUNA-NHCUHLMSSA-N 413.591 3.159 0 40 HGAB COc1ccc(S(=O)(=O)Nc2cccc(C(=O)N[C@H]3C[C@@H]4CC[C@@H]3C4)c2)cc1 224039234 UBSJMQGBAHJMOV-SXGZJXTBSA-N 400.500 3.414 0 40 HGAB CCOc1ccc(N(CCCC(=O)Nc2cccc(COC)c2)S(C)(=O)=O)cc1 224703591 QHPLOMWXPKHRJL-UHFFFAOYSA-N 420.531 3.417 0 40 HGAB CCC[C@]1(C(=O)OC)N[C@H](c2ccc(C)cc2)[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]21 229932830 BUKVTGGQIXTIFJ-YCFYUYSTSA-N 420.509 3.465 0 40 HGAB 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VDKJESCCOWUKAG-OAQYLSRUSA-N 415.559 3.273 0 40 HGAB Cc1nn(-c2ncnc3[nH]cnc23)c2c1[C@@H](c1ccccc1Cl)SCC(=O)N2 31808027 NLLIQCLLPMUIRA-OAHLLOKOSA-N 411.878 3.275 0 40 HGAB COc1ccccc1N1CCN(Cc2ccc(C(=O)NCc3ccccn3)cc2)CC1 34668504 QATULCOWUNVRMI-UHFFFAOYSA-N 416.525 3.342 0 40 HGAB COc1ccc(Cl)cc1NC(=O)CN(C)[C@@H](C)C(=O)N[C@H](C)c1ccccc1 37181267 SIWHCPCUCBFTGA-CABCVRRESA-N 403.910 3.485 0 40 HGAB COC(=O)c1cccc2c1CN(CC(=O)Nc1ccc(Br)cc1F)CC2 39306367 MOOKBDXYHWDNHY-UHFFFAOYSA-N 421.266 3.372 0 40 HGAB C[C@@H]1CCCCN1CCCCNC(=O)c1cccc(S(=O)(=O)NC2CCCC2)c1 40112643 GSEOVEAFEVUOJH-GOSISDBHSA-N 421.607 3.292 0 40 HGAB COc1ccc([C@H]2CC(O)=Nc3c2ncn3-c2ccccc2F)cc1OCC(N)=O 40285662 QEQHKIOYBMUSDY-CYBMUJFWSA-N 410.405 3.008 0 40 HGAB CCCNC(=O)Cn1cc(C(=O)Nc2ccc(C)c(C)c2)c(=O)c2ccc(C)nc21 49002131 QMKNNRAYHYWRTH-UHFFFAOYSA-N 406.486 3.100 0 40 HGAB CCCn1cc(C(=O)Nc2cc(OC)c(OC)c(OC)c2)c(=O)c2ccc(C)nc21 49002271 MEKMOCFYUPTSEG-UHFFFAOYSA-N 411.458 3.393 0 40 HGAB CCOC(=O)C1(c2ccccc2)CCN(CCS(=O)(=O)c2ccc(C)cc2)CC1 54956622 TYKYHZOXXGNRAZ-UHFFFAOYSA-N 415.555 3.366 0 40 HGAB C[C@H](NC(=O)N[C@H](C)c1nc2ccccc2[nH]1)c1cccc(NS(C)(=O)=O)c1 56925913 SZHYJUGPYPAWKF-QWHCGFSZSA-N 401.492 3.056 0 40 HGAB Cc1ccc(NC(=O)[C@@H](C)N(C)Cc2nnc3ccccn23)c(Br)c1 72308307 LQSHAGNKCPQKBQ-CYBMUJFWSA-N 402.296 3.259 0 40 HGAB Cc1cccc(OC2CCN(C(=O)Cc3ccc(S(=O)(=O)C(C)C)cc3)CC2)n1 96119535 QHFYJEWIAUOKKR-UHFFFAOYSA-N 416.543 3.185 0 40 HGAB COc1ccc(NC(=O)C2=NO[C@@]3(CCCN(C(=O)c4cc(C)oc4C)C3)C2)cc1 96225156 CZGFXLUQNKHNSF-QFIPXVFZSA-N 411.458 3.295 0 40 HGAB CC(C)c1ncc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)[C@@H]3CCC(=O)N3)CC2)n1 100739112 WIIVIRPPBFDMKO-HQRMLTQVSA-N 421.545 3.331 0 40 HGAB C[C@H](C(=O)Nc1cccc(Cl)c1Cl)N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O 102085676 YZYSJMTZZRNQAC-QAVALDPISA-N 405.281 3.374 0 40 HGAB CCOc1ccccc1CNC(=O)[C@H](CC)N(c1ccccc1F)S(C)(=O)=O 113967513 URZADHLARZNSQN-KRWDZBQOSA-N 408.495 3.085 0 40 HGAB CCCNC(=O)CCC(=O)Nc1cc(OC)c(NC(=O)c2ccccc2)cc1OC 199430617 MNAWPNJWHBOJHR-UHFFFAOYSA-N 413.474 3.201 0 40 HGAB CC[C@@H](NC(=O)CN(c1cccc(F)c1)S(C)(=O)=O)c1ccc(OC)c(C)c1 223770788 KOIJIAIXLCFRHL-GOSISDBHSA-N 408.495 3.176 0 40 HGAB COc1ccc(-c2nnsc2C(=O)OCCCNC(=O)c2cccc(F)c2)cc1 223840132 OOZDERQMCOFWBE-UHFFFAOYSA-N 415.446 3.330 0 40 HGAB CCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)COc1ccc(Cl)cc1 223965454 XSHCXZOGTKSDJL-OAHLLOKOSA-N 404.894 3.281 0 40 HGAB CC(C)n1c(=O)sc2cc(S(=O)(=O)NCCN(C)c3ccccc3)ccc21 225715919 YTYMEJMGYOKOFC-UHFFFAOYSA-N 405.545 3.059 0 40 HGAB O=C(NCc1nc(-c2cccs2)no1)/C(=C/c1ccco1)NC(=O)c1ccccc1 225742100 LWIYPZSESVPAHV-VBKFSLOCSA-N 420.450 3.478 0 40 HGAB O=C1NCC2(C/C=C/CCOc3ccccc31)CCN(C(=O)Cc1cccnc1)CC2 257211378 BYQHRNXDSDCDRW-DAFODLJHSA-N 419.525 3.392 0 40 HGAB Cc1nc2c(C)cccc2cc1C(=O)N1CCC[C@@H](CC(=O)NCc2nonc2C)C1 257216704 CVTMMBKQUORVQP-KRWDZBQOSA-N 421.501 3.102 0 40 HGAB Cn1ccc(C(=O)N2[C@H](c3cccc(C(F)(F)F)c3)C[C@]3(C)NC(=O)CCC[C@H]23)n1 257257364 KPGKSUFSSDACFB-ZWOKBUDYSA-N 420.435 3.454 0 40 HGAB CCn1cc(C(=O)N2CC3(CO[C@@H]4c5cccc(OC)c5OC(C)(C)[C@H]4C3)C2)cn1 257290917 QEVAFFNSABLBEF-PKOBYXMFSA-N 411.502 3.303 0 40 HGAB CC(=O)N1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)N2C(=O)c1ccnn1C 257330685 XPMMGSHPTGINFR-CFKFVRPNSA-N 406.530 3.035 0 40 HGAB COc1ccc(-c2nnc3n(c2=O)CC[C@]32CCN(Cc3cc(C)cc(C)c3)C2)cc1 306134402 NMCNPGIGXIISCO-VWLOTQADSA-N 416.525 3.478 0 40 HGAB COc1ccc(C2(CNC(=O)c3cc4c(cc3F)NC(=O)CC4)CCOCC2)cc1 532619211 CWCSCIGBKVHEEB-UHFFFAOYSA-N 412.461 3.197 0 40 HGAB CC(C)(C)C(=O)NCCC(=O)Nc1nc(-c2ccc(Br)cn2)cs1 578249899 GGJIEWKNYZHRMP-UHFFFAOYSA-N 411.325 3.459 0 40 HGAB CC(C)c1noc(C2(NC(=O)[C@@H](O)c3cccc(C(F)(F)F)c3)CCOCC2)n1 585114043 ZDJHZDXVRWISAH-AWEZNQCLSA-N 413.396 3.067 0 40 HGAB COc1ccc(C2=NN(C(C)=O)[C@H](c3ccc(OC)c(OC)c3)C2)c(OC(C)=O)c1 796454 XGTMIQKOJPORTM-IBGZPJMESA-N 412.442 3.335 0 40 HGAB CCOc1ccc(NC(=O)CSc2nnc(Cn3cnc4ccccc43)n2C)cc1 891466 QHINGOAZFGUWDM-UHFFFAOYSA-N 422.514 3.343 0 40 HGAB COCCCN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@@H]2c2cccc(C)c2)C1=O 2157866 GFTUUHYLMMCGHR-URXFXBBRSA-N 417.509 3.198 0 40 HGAB biogenic COc1cccc2cc(C(=O)OCC(=O)N[C@H](C)CCc3ccccc3)c(=O)oc12 3224049 GTCYITCYHLURLV-OAHLLOKOSA-N 409.438 3.096 0 40 HGAB COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)/C=C/c1ccc(Br)o1 3282353 XNFPZXYXSVJULH-MNDMWVCDSA-N 417.259 3.437 0 40 HGAB Cc1ccc(N(C(=O)[C@H]2CCC(=O)N2)C2(C(=O)NC3CCCC3)CCCCC2)cc1 3626011 ZOHTVVGTYZXDIB-HXUWFJFHSA-N 411.546 3.368 0 40 HGAB COc1ccc2c(C)c(CC(=O)NCCc3ccc(OC)c(OC)c3)c(=O)oc2c1 4084751 AVJFFVQNEHYERY-UHFFFAOYSA-N 411.454 3.029 0 40 HGAB biogenic C[C@H]1CCCN(C(=O)COC(=O)CNC(=O)c2sc3ccccc3c2Cl)C1 4288325 BFTJPLMVCCCXAU-LBPRGKRZSA-N 408.907 3.086 0 40 HGAB C[C@H]1CCC[C@@H](C)N1C(=O)CN1C(=O)N[C@](C)(c2cccc(Br)c2)C1=O 4303993 HVJOUSQIARRJHK-QHRIQVFBSA-N 422.323 3.006 0 40 HGAB CCCCOC(=O)[C@H]1[C@H]2C=C[C@]3(CN(c4ccccc4Br)C(=O)[C@H]13)O2 4555082 MHDKNIXLWMBFDU-PASDCYSWSA-N 406.276 3.079 0 40 HGAB CSCC[C@H](NC(=O)c1ccccc1)C(=O)NCCOc1ccc(C)c(C)c1 4619170 GVSRJCCCPXQTHG-FQEVSTJZSA-N 400.544 3.350 0 40 HGAB Cc1cc(C)cc(COCCOCn2c(C)c(Cc3ccccc3)c(=O)[nH]c2=O)c1 4697972 DFWUKBSPAKRKJN-UHFFFAOYSA-N 408.498 3.244 0 40 HGAB Cc1cc(C)n(CCc2nc3c4ccccc4n(Cc4ccc(F)cc4)c(=O)n3n2)n1 5035642 HRWUAANIDLJLFJ-UHFFFAOYSA-N 416.460 3.288 0 40 HGAB O=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)N[C@@H]1CCCc2ccccc21 5957523 HECLKVIUYYIVJH-GOSISDBHSA-N 404.557 3.269 0 40 HGAB COc1ccc(CNC(=O)COC(=O)/C=C/c2nc3ccccc3s2)cc1OC 6165686 DISLTMWGDCDFLZ-MDZDMXLPSA-N 412.467 3.186 0 40 HGAB COc1cccc(CNC(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)c1 6882034 XAIPUWXYTQCRHB-UHFFFAOYSA-N 410.495 3.450 0 40 HGAB CCOc1ccc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)cc1OCC 6964153 VLFKEMCOFCIGSW-SFQUDFHCSA-N 404.488 3.143 0 40 HGAB Cc1nc(Cc2nnc(SCC(=O)c3ccc4c(c3)[C@H](C)C(=O)N4)o2)cs1 7022054 SAYJEHYOTUSHIZ-VIFPVBQESA-N 400.485 3.456 0 40 HGAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)COc2ccc(Cl)cc2C(N)=O)c1 7022804 VKCQRSMYONLYEN-KRWDZBQOSA-N 418.877 3.199 0 40 HGAB COc1ccc(S(=O)(=O)Nc2ccc(C)c(I)c2)cc1 7051262 ZZQQUBYVSNVXQC-UHFFFAOYSA-N 403.241 3.409 0 40 HGAB CS(=O)(=O)c1ccccc1NC(=O)CN1CCC[C@@H]1c1nc2ccccc2s1 7360037 ZEBVZFMRVMBGAH-MRXNPFEDSA-N 415.540 3.475 0 40 HGAB Cc1sc(CC(=O)NCc2ccccc2)nc1-c1ccc(NS(C)(=O)=O)cc1 8103450 FSTPIDNQUTVZHO-UHFFFAOYSA-N 415.540 3.349 0 40 HGAB Cc1cc(C(=O)CN2C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C2=O)c(C)n1C1CC1 8944817 ZKAQNBVOLILZKF-FQEVSTJZSA-N 404.470 3.267 0 40 HGAB Cc1nnnn1/C(=C\c1ccccc1)C(=O)OCc1nnc(-c2ccc(Cl)cc2)o1 9466206 OMCHPGJJBPECRC-BOPFTXTBSA-N 422.832 3.426 0 40 HGAB COc1ccc(-n2nnc(-c3nsc(NC(=O)c4ccccc4OC)n3)c2C)cc1 9638911 DZTYFXJDTPJKOF-UHFFFAOYSA-N 422.470 3.364 0 40 HGAB CC(=O)Nc1ccc(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1 9805652 SYKYEMOQTGCWIT-UHFFFAOYSA-N 423.494 3.479 0 40 HGAB COc1cc(OC)c(OC)cc1CN1CCC(c2cc(N)n3nc(C)cc3n2)CC1 12121546 PQNUEBATNNEKKT-UHFFFAOYSA-N 411.506 3.025 0 40 HGAB C[C@@H]1CN(C(=O)c2ccc(NS(=O)(=O)c3ccc(F)c(F)c3)cc2)C[C@@H](C)O1 12508059 IMLITECMWGNXRA-CHWSQXEVSA-N 410.442 3.015 0 40 HGAB Cn1nc(C(=O)N2CCN(Cc3cccc4ccccc34)CC2)c2ccccc2c1=O 12567640 AMZGFIZQYOXJGE-UHFFFAOYSA-N 412.493 3.045 0 40 HGAB CCOC(=O)c1sc(NC(=O)CSc2nncn2Cc2ccco2)cc1C 12814155 RYXZETLJIDNLTN-UHFFFAOYSA-N 406.489 3.197 0 40 HGAB COc1cc(C(=O)Nc2ccc3c(c2)NC(=O)CO3)ccc1OCc1cscn1 12906397 CCBHGTLUNSRONB-UHFFFAOYSA-N 411.439 3.314 0 40 HGAB O=C(NCCC1CCCC1)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 13022151 OIJCASXKDQDPTA-UHFFFAOYSA-N 410.444 3.056 0 40 HGAB O=C(NCCCc1ncc[nH]1)/C(=C/c1c[nH]c2ccccc12)NC(=O)c1ccccc1 13579394 PANWXZKXHCRDFZ-QNGOZBTKSA-N 413.481 3.411 0 40 HGAB COc1ccc(NC(=O)CCCCCNC(=O)N2CC(=O)Nc3ccccc32)cc1 13628789 FGPOCKFLUGQQOK-UHFFFAOYSA-N 410.474 3.362 0 40 HGAB CCOc1ccc(CNC(=O)CCCN(c2ccc(F)cc2)S(C)(=O)=O)cc1 13648296 JJDDRHAVUTYEAZ-UHFFFAOYSA-N 408.495 3.087 0 40 HGAB C[C@H]1C[C@H](C)CN(Cc2csc(NC(=O)Cc3n[nH]c(=O)c4ccccc34)n2)C1 14528829 JCWIMQWXUDKMST-KBPBESRZSA-N 411.531 3.039 0 40 HGAB CCCCn1c(CN(C)Cc2ccc(OC)cc2)nc2cc(S(N)(=O)=O)ccc21 15440681 VGNZSSBVUZLFFA-UHFFFAOYSA-N 416.547 3.124 0 40 HGAB COc1cc(OC)c(/C=C(\Sc2nc(C)n[nH]2)C(=O)O)cc1Br 16956625 SBLYZPHWNGLXAN-XGICHPGQSA-N 400.254 3.111 0 40 HGAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N=c3[nH]c4ccccc4[nH]3)c2)cc1F 17304492 YNDOLFINCOVUOB-UHFFFAOYSA-N 424.457 3.485 0 40 HGAB Cc1cc(-c2cnc3cc(C)nn3c2[C@H]2CCCN(CC(=O)N3CCCCC3)C2)on1 19124137 PBEAILRRQULQKS-SFHVURJKSA-N 422.533 3.193 0 40 HGAB COc1cc(C)c(CN2CCC[C@H](c3cc(=O)[nH]c(-c4cnccn4)n3)C2)cc1C 19567324 RUQPYSKVGHFULU-KRWDZBQOSA-N 405.502 3.232 0 40 HGAB CN(Cc1ccccc1N1CCOCC1)C(=O)[C@@]1(C)CC(c2ccccc2F)=NO1 19660925 APAULOUKJSRHBF-HSZRJFAPSA-N 411.477 3.204 0 40 HGAB CNc1cc(CN(C)C(C)=O)nc([C@@H]2CCCCN2C(=O)CCc2ccccc2)n1 19709831 JQQVOLDSMMOSPP-FQEVSTJZSA-N 409.534 3.183 0 40 HGAB COc1ccccc1CNC(=O)c1cncnc1CC1CCN(C(=O)C(C)(C)C)CC1 19757077 IIRIXTUGJJECIJ-UHFFFAOYSA-N 424.545 3.242 0 40 HGAB CCN(c1ccccc1)S(=O)(=O)c1nnc(NC(=O)c2cccc(OC)c2)s1 20486632 SBMVMRLYPYJLJI-UHFFFAOYSA-N 418.500 3.014 0 40 HGAB CCOc1cccc(N(CC(=O)N[C@H]2CCCc3ccccc32)S(C)(=O)=O)c1 22397277 FMQLWZWQHFXDCA-FQEVSTJZSA-N 402.516 3.045 0 40 HGAB COc1ccc([C@H]2CCCN2S(=O)(=O)c2cccc3nsnc23)cc1OC 22405716 VJZMSMCLVWRTQK-CQSZACIVSA-N 405.501 3.234 0 40 HGAB CCOC(=O)N1CCN([C@@H](c2ccc(C)cc2)c2c(O)cc(C)n(CC)c2=O)CC1 22697222 WKXBWZJSAITARH-NRFANRHFSA-N 413.518 3.054 0 40 HGAB COc1ccc(-c2nnn(C[C@H](O)COc3ccc(C(C)(C)C)cc3)n2)cc1OC 24762992 KBBHPBYPQAKHFD-KRWDZBQOSA-N 412.490 3.095 0 40 HGAB CCOc1ccc([C@H](CNC(=O)Cc2ccc(C)cc2)N2CCOCC2)cc1OC 24838421 VEGVELBFBCCBES-NRFANRHFSA-N 412.530 3.135 0 40 HGAB COc1ccc(Br)cc1C(=O)CCC(=O)N[C@@H]1CCCc2c1cnn2C 24986401 PVJDCTPYTYGCCL-OAHLLOKOSA-N 420.307 3.348 0 40 HGAB O=C(Cn1nnc2ccccc2c1=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1 31712561 NUPJLKBXKWMGSQ-UHFFFAOYSA-N 422.448 3.283 0 40 HGAB CC1(C)CC(NC(=O)c2ccc3c(=O)n(-c4ccccc4)cnc3c2)CC(C)(C)N1 32101061 XDSYYXSLDCWUEX-UHFFFAOYSA-N 404.514 3.425 0 40 HGAB COC(=O)C[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1)c1cccs1 32453846 BLLFOINCQGGTLO-AEFFLSMTSA-N 412.511 3.010 0 40 HGAB Cc1ccc2nc(COC(=O)c3ccc(S(=O)(=O)NC(C)(C)C)cc3)cn2c1 32829951 IIWUEQJVWFQUBK-UHFFFAOYSA-N 401.488 3.077 0 40 HGAB C[C@@H]1CN(Cc2ccc(C(=O)OCC(=O)Nc3ccc(Cl)cn3)cc2)C[C@@H](C)O1 32936232 CEBSLPIUNPNDQP-HUUCEWRRSA-N 417.893 3.140 0 40 HGAB CN(Cc1ccccc1)C(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 36396941 HGEIRXFYBJYYJQ-UHFFFAOYSA-N 423.538 3.398 0 40 HGAB Cc1cc2nc([C@@H]3CCCN3C(=O)[C@H]3C[C@H](O)CN3Cc3ccccc3)[nH]c2cc1C 36714047 UBBCHHRFFWUMLM-AJSBUHFISA-N 418.541 3.479 0 40 HGAB O=C(NC1CCN(C(=O)c2ccco2)CC1)c1cnn2c(-c3ccccc3)ccnc12 40145289 ACWSLQVNSHYEME-UHFFFAOYSA-N 415.453 3.024 0 40 HGAB C[C@@H](CCc1ccccc1)NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccccc1F 40160444 YYPNVERGVYUAQO-QFBILLFUSA-N 404.507 3.116 0 40 HGAB CC(C)Cn1c(SCc2nnc(-c3cccs3)o2)nnc1N1CCOCC1 48344791 NJAGINBWARHKCD-UHFFFAOYSA-N 406.537 3.175 0 40 HGAB Cc1csc(=O)n1CCC(=O)NCc1ccccc1CN1C[C@@H](C)C[C@H](C)C1 48353694 LGIIMXNWEOVPLT-IRXDYDNUSA-N 401.576 3.403 0 40 HGAB Cn1cc(S(=O)(=O)N2CCCCC2)cc1C(=O)N1CCCSc2ccccc21 48375082 KXYMLDHCBLORKL-UHFFFAOYSA-N 419.572 3.342 0 40 HGAB Cc1cccc(NC(=O)Cn2nc3ccc(-c4ccc(Cl)cc4)nn3c2=O)c1C 49009363 SSCPIMPWNOGYQO-UHFFFAOYSA-N 407.861 3.467 0 40 HGAB C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)c1ccc(Oc2cccc(Br)c2)nc1 56017600 AYIFATCALIGPHS-TZMCWYRMSA-N 418.291 3.362 0 40 HGAB Cc1cc(=O)n(CC(=O)NCc2ccccc2Cl)c(N2CCc3ccccc3C2)n1 57506426 GKQLPARDPCEZQY-UHFFFAOYSA-N 422.916 3.084 0 40 HGAB COc1ccccc1[C@H](O)CNC(=O)Nc1cc2c(cc1Br)OCCO2 58162858 AXCBZIFCWFXWOY-CQSZACIVSA-N 423.263 3.084 0 40 HGAB COc1ccc(CCNC(=O)c2n[nH]nc2Nc2cccc(Cl)c2)cc1OC 67284100 YIYYVIVVJHJAEM-UHFFFAOYSA-N 401.854 3.191 0 40 HGAB Cc1ccc(C)c(NC(=O)CN2C(=O)N[C@H](c3cc(C)ccc3C)C3=C2COC3=O)c1 67288796 TYAMKEWRHNRJIE-JOCHJYFZSA-N 419.481 3.436 0 40 HGAB CCCCn1c(SCC(=O)NCc2ccccc2F)nc2cc(C)[nH]c2c1=O 67299507 ZRUJJORTWQGHJE-UHFFFAOYSA-N 402.495 3.381 0 40 HGAB CSc1cccc(NC(=S)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 71761425 NTZXCOHSJICZIX-UHFFFAOYSA-N 423.585 3.238 0 40 HGAB COC(=O)C[C@H](C)N1CCN(C(=O)CCc2cccc(OC3CCCC3)c2)CC1 72309324 HILOUVYULSKGRT-SFHVURJKSA-N 402.535 3.036 0 40 HGAB CN(C)C(=O)c1cc([C@@H]2CN(C(=O)Cc3ccc(F)cc3)CCO2)nc2ccccc12 72352712 QOWVIGSUSLUBHU-QFIPXVFZSA-N 421.472 3.218 0 40 HGAB Cc1cccc(-c2ccc(CN3CC[C@@H](NC(=O)c4ccncc4)[C@H](O)C3)cc2)c1 77302832 VANOQAJLCBZATA-DNQXCXABSA-N 401.510 3.422 0 40 HGAB CN(CC(=O)N[C@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C)C(=O)c1cccs1 78877546 CYKUXIKCLVBMAN-CABCVRRESA-N 409.552 3.020 0 40 HGAB CCC[C@@H](NC(=O)[C@H](C)OC(=O)c1c[nH]c(=O)c(Br)c1)c1ccccc1 79052525 GJTFGFNDUMKLTN-BLLLJJGKSA-N 421.291 3.340 0 40 HGAB COc1ccc(-c2noc(-c3ccc4c(=O)n(CCC(C)C)c(=O)[nH]c4c3)n2)cc1 85601956 PNYFUKIBUCILPR-UHFFFAOYSA-N 406.442 3.462 0 40 HGAB O=C(CSc1nnc(Nc2ccccc2F)s1)Nc1ccc2[nH]c(=O)[nH]c2c1 89814407 YNVPMJWBGWDHRE-UHFFFAOYSA-N 416.463 3.321 0 40 HGAB Cn1c(CO[C@H]2CN(S(=O)(=O)c3ccc(Cl)cc3)C[C@H]2F)nc2ccccc21 96111995 ULXIWIUBMDPACL-QAPCUYQASA-N 423.897 3.155 0 40 HGAB biogenic,in-vitro COc1cc([C@H]2CC(=O)Nc3ncn(-c4ccc(F)cc4)c32)c(OC)c2c1OCO2 96335729 MIVGUSXOMDWKKA-CYBMUJFWSA-N 411.389 3.231 0 40 HGAB COc1cc(/C=C2/N=C(c3ccc(C(C)(C)C)cc3)OC2=O)ccc1OCC(N)=O 97987498 FFNIPSWJGSOGCC-GZTJUZNOSA-N 408.454 3.201 0 40 HGAB COc1ccc(F)cc1COC(=O)[C@@H](CC(C)C)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 103125819 MVXLQTOTPAETMK-OKZBNKHCSA-N 403.450 3.243 0 40 HGAB COc1cc2ncn(CCCC(=O)N[C@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)c(=O)c2cc1OC 105634067 XTFPCMDVSGJDLF-QZWWFDLISA-N 413.518 3.135 0 40 HGAB C[C@@H](Oc1ccc2ccccc2c1)C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21 219022263 QVFGVRWDYVLXOI-MRXNPFEDSA-N 424.522 3.447 0 40 HGAB CCCNC(=O)c1ccccc1NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1Cl 222516546 BHEZIWTUZBQKPK-UHFFFAOYSA-N 423.922 3.128 0 40 HGAB CC[C@H](NS(=O)(=O)c1ccc(OC)c(C(=O)NC)c1)c1ccc2c(c1)CCCC2 223080040 YRCZCVZFCJXPMT-FQEVSTJZSA-N 416.543 3.363 0 40 HGAB Cc1ccc(N(CCCC(=O)NCCOc2cc(C)cc(C)c2)S(C)(=O)=O)cc1 224096546 ADKYRHTZMARCRL-UHFFFAOYSA-N 418.559 3.353 0 40 HGAB CS(=O)(=O)N(CC(=O)Nc1ccc(OC(F)(F)F)cc1)c1ccc(F)cc1F 224887584 XEUTVQIBKCWJNW-UHFFFAOYSA-N 424.347 3.268 0 40 HGAB CCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCc1ccc2c(c1)OCO2 225068777 OPWINJGHZFCGLH-SFHVURJKSA-N 410.514 3.334 0 40 HGAB CO[C@H]1CCN(CC(=O)Nc2cccc(-c3csc(C)n3)c2)C[C@@]12CCCO2 257199995 ABOHWWWRQNUZOM-FPOVZHCZSA-N 401.532 3.327 0 40 HGAB CC(C)CN1C(=O)C2(CCN(C(=O)c3ccnnc3)CC2)C[C@@H]1Cc1ccccc1 257297203 RGHQZWBMTYIINN-NRFANRHFSA-N 406.530 3.199 0 40 HGAB Cc1cc(OCC(=O)N2CC[C@H](O)[C@@H](Oc3ccccc3F)CC2)c2ccccc2n1 257341993 ZMQRPTRUWGQEFB-UNMCSNQZSA-N 424.472 3.492 0 40 HGAB Cc1nc(C(=O)N2C[C@@H]3c4cc(-c5ccco5)ccc4S(=O)(=O)[C@@H]3C2)cs1 306124353 BNHOHLLQZKIHFC-RDTXWAMCSA-N 400.481 3.107 0 40 HGAB Cc1cc(C)cc(CN2C[C@@H]3Cc4nnc(C(=O)Nc5ccccc5)n4C[C@H]3C2)c1 306128936 HORGDPWUYAHXHE-VQTJNVASSA-N 401.514 3.452 0 40 HGAB COc1cccc(-n2nccc2-c2nc(C(=O)N[C@H](C)C(C)C)c3cnccn23)c1 306135262 OMALHAAAEBVYPW-OAHLLOKOSA-N 404.474 3.365 0 40 HGAB Cc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(=O)Nc1c(F)cccc1F 408535852 XJRJUVAZQBWKOI-UHFFFAOYSA-N 410.442 3.075 0 40 HGAB CC(C)Cn1c(CCc2ccccc2)nnc1SCC(=O)NC[C@@H]1CCCO1 409202579 RQYALVUGMYUUBW-SFHVURJKSA-N 402.564 3.107 0 40 HGAB COc1cc(C)ccc1OCc1nnc(SCC(=O)N[C@@H]2CCCC[C@@H]2C)n1C 409338935 QWTVWTHALYCTEI-JKSUJKDBSA-N 418.563 3.498 0 40 HGAB COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)NCc2nccc(N)n2)cc1 531889259 AGFAVCARMMKWNH-UHFFFAOYSA-N 401.470 3.465 0 40 HGAB COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)O)c(Cl)c2)c2ncccc12 546726937 OKXRQEPGKUHRBY-UHFFFAOYSA-N 422.846 3.161 0 40 HGAB CNc1cc([C@]2(C)CCCN(C(=O)C3(c4ccc(C)cc4)CCOCC3)C2)nc(C)n1 585261898 NEYMGINUZOGJQL-XMMPIXPASA-N 422.573 3.764 0 40 HGAB Cc1cccc(C2(C(=O)N3CCC[C@](C)(c4cc(N)nc(C)n4)C3)CCOCC2)c1 585261905 OZXXTRCDFDPVDE-QHCPKHFHSA-N 408.546 3.304 0 40 HGAB CS(=O)(=O)N1CCC(c2nnc3sc(/C=C/c4ccccc4Cl)nn23)CC1 1501040564 YFTGZBHBCGWQSU-VOTSOKGWSA-N 423.951 3.149 0 40 HGAB Cc1nc2c(c(N3CCN(c4cc(C(F)(F)F)nc(C5CC5)n4)CC3)n1)CCC2 1888859220 AUKVHKIOBGSWGC-UHFFFAOYSA-N 404.440 3.287 0 40 HGAB Cc1ccn(CCC(=O)N2CCO[C@@H](c3cccc(Nc4ncc(C)s4)n3)C2)n1 2037834646 YODYCIBYFNUPEG-QGZVFWFLSA-N 412.519 3.085 0 40 HGAB O=C([C@@H]1CN(Cc2ccc(OC(F)(F)F)cc2)CCO1)N1CCC(F)(F)CC1 2087142521 HXQXJWJPNYQWCW-HNNXBMFYSA-N 408.367 3.044 0 40 HGAB O=C(CN1CCc2nc3ncc(Br)cc3cc2C1)N1CCCCCC1 2298052405 CJLQYQWXODGPRH-UHFFFAOYSA-N 403.324 3.153 0 40 HGAB CCOC(=O)c1cccc(NC(=O)CSc2nnc(-c3ccc(O)cc3)n2C)c1 899366 HXNDXPXNUOXRPZ-UHFFFAOYSA-N 412.471 3.095 0 40 HGAB COc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)on3)cc2)cc1OC 945498 QBMHTRQWCIPPON-UHFFFAOYSA-N 417.443 3.053 0 40 HGAB CCOC(=O)c1nn(-c2ccc(OCC)cc2)c2nc(Nc3ccccc3)cc(=O)n12 1016917 NPJLXSNLGJAQCQ-UHFFFAOYSA-N 419.441 3.199 0 40 HGAB COc1ccc2cc([C@H](c3nnnn3C(C)(C)C)N3CCCCCC3)c(=O)[nH]c2c1 1222757 DHAXHPQNPBUGTD-LJQANCHMSA-N 410.522 3.244 0 40 HGAB CCn1c(SCC(=O)Nc2ccc(OC)cc2)nc2nc3c(cc2c1=O)CCCC3 2265866 HBBAPVCPFGSIAX-UHFFFAOYSA-N 424.526 3.430 0 40 HGAB O=C(Cn1nnc2ccccc2c1=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 3375879 YCICNUVTJJOGDQ-UHFFFAOYSA-N 416.281 3.468 0 40 HGAB COc1cc(N)c(Cl)cc1C(=O)OCC(=O)Nc1ccc(OC(F)F)cc1 3450257 FWDKPDOFPXHPBU-UHFFFAOYSA-N 400.765 3.328 0 40 HGAB CCOc1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)ccc1OCC(=O)O 3652760 CKMHWZJFTYYBHT-OVCLIPMQSA-N 416.817 3.299 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)COc2ccc(C)c(C)c2)c1 4070979 HGJUGAVWECHYBT-UHFFFAOYSA-N 420.531 3.360 0 40 HGAB O=C(NCCc1ccccc1)C(=O)NC[C@H](c1cccs1)N1CCc2ccccc21 4305751 BRDRWNCDICMVCT-OAQYLSRUSA-N 419.550 3.327 0 40 HGAB COc1ccccc1-c1cc(C(F)(F)F)nc(S[C@@H]2CC(=O)[C@H]3OC[C@@H]2O3)n1 4452306 PZMORQKSAZIXSI-LZWOXQAQSA-N 412.389 3.346 0 40 HGAB CCOC(=O)c1[nH]c2ccccc2c1NC(=O)CCN1CCN(c2ccccc2)CC1 5025077 QVOQAYIXEPSHPE-UHFFFAOYSA-N 420.513 3.495 0 40 HGAB O=C(C[C@@H]1C(=O)N[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc(F)cc1)Nc1ccccc1 5443352 YYZLPFUCOFKCEG-HSALFYBXSA-N 409.461 3.106 0 40 HGAB CC(=O)Nc1cccc(NS(=O)(=O)c2c(F)cc(F)cc2Br)c1 5602650 OSMHZCGRMVQDEW-UHFFFAOYSA-N 405.220 3.487 0 40 HGAB CC1(C)C[C@@H](n2nc(O)c3c2NC(=O)CS[C@H]3c2ccc3c(c2)OCO3)CCO1 5862223 JAQOCFQWSLJDLY-SJCJKPOMSA-N 417.487 3.222 0 40 HGAB COc1ccc(/C=C2\CCc3c2nc2ccccc2c3C(=O)OCC(N)=O)cc1OC 6835655 WBWKKYLMAHPMTP-RVDMUPIBSA-N 418.449 3.381 0 40 HGAB C[C@H](NS(=O)(=O)c1ccc(N2CCCC2=O)cc1)c1ccc(-n2ccnc2)cc1 7322696 UKDCSIKMBGIYEI-INIZCTEOSA-N 410.499 3.039 0 40 HGAB COc1cc(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)c(OC)cc1Cl 7709332 SPZZYHBLFHNMQK-UHFFFAOYSA-N 410.879 3.285 0 40 HGAB CC(C)[C@@H](NC(=O)CNC(=O)c1ccc(Cl)cc1)c1ccc2c(c1)OCCO2 8124493 OPWUJIUQGULZSW-HXUWFJFHSA-N 402.878 3.355 0 40 HGAB Cc1ccc(CN(C)C(=O)CSc2nnc(Cc3ccccc3F)n2N)c(C)c1 8327134 NFCLXOSFVBOZQA-UHFFFAOYSA-N 413.522 3.089 0 40 HGAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)Nc3ccccc3)c12 8329154 BTOWQEAEFXMEFA-MRXNPFEDSA-N 410.499 3.229 0 40 HGAB COc1ccc([C@@H]2CCCCCN2S(=O)(=O)c2ccc3c(c2)CC(=O)N3)cc1 8745729 ZFFZQJNRBDJPBY-FQEVSTJZSA-N 400.500 3.496 0 40 HGAB CCOc1ccc(NC(=O)[C@H](C)Oc2ccc(C)cc2)cc1S(=O)(=O)N(C)C 8770228 YNNVBZBQVAHPBS-HNNXBMFYSA-N 406.504 3.050 0 40 HGAB COc1ccc(CNC2=N[C@H](c3ccc(Cl)cc3)n3c(nc(C)cc3=O)N2)cc1 9225425 BKSZUOMDHSRIAN-IBGZPJMESA-N 409.877 3.332 0 40 HGAB COc1cc(C)cc2oc(=O)c(CC(=O)Nc3ccc(Cn4cncn4)cc3)c(C)c12 9418567 ZANKMLGNIVJDKQ-UHFFFAOYSA-N 418.453 3.239 0 40 HGAB C[C@@H](Sc1nnc(CN2CCCC2=O)o1)C(=O)Nc1ncc(Cl)cc1Cl 9514346 GOBAVLFKJCMTOY-MRVPVSSYSA-N 416.290 3.013 0 40 HGAB O=C(Nc1nc2c(s1)CCCC2)[C@H]1CCCCN1S(=O)(=O)c1cccs1 9663884 BHTULWHGGYYBEO-CYBMUJFWSA-N 411.574 3.265 0 40 HGAB COc1ccc(S(=O)(=O)Nc2nc(CC(=O)Nc3cccc(C)c3)cs2)cc1 9828645 DAPGLLSBFWCVMS-UHFFFAOYSA-N 417.512 3.442 0 40 HGAB Oc1ccc(Br)cc1C(=S)N1CCN(C(=S)c2ccccn2)CC1 9849105 JMECSUWWDMPAGV-UHFFFAOYSA-N 422.373 3.219 0 40 HGAB CC(=O)c1ccc(N2CCN(C(=O)c3cc(Cl)c4c(c3)OCO4)CC2)c(F)c1 11007919 GJJAJLRCGARDFJ-UHFFFAOYSA-N 404.825 3.373 0 40 HGAB CCCC(CCC)C(=O)N1CCN(c2ncnc3c2nnn3-c2ccc(C)cc2)CC1 11665780 QSUFFQMNAXUVEN-UHFFFAOYSA-N 421.549 3.384 0 40 HGAB CC(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)NCC2(c3ccccc3)CC2)c1 11750703 IDURECICXKYPRS-UHFFFAOYSA-N 406.935 3.488 0 40 HGAB COc1ccc(CC(=O)N2CCC(c3nc(O)cc(-c4ccncc4)n3)CC2)cc1 12256606 WVWSBTISGHHCHD-UHFFFAOYSA-N 404.470 3.202 0 40 HGAB Cc1cc(S[C@H](C)C(=O)N[C@H]2CCS(=O)(=O)C2)nc2c(C(C)C)cccc12 12537888 RPXQNJXDFUHKBM-CABCVRRESA-N 406.573 3.451 0 40 HGAB CCc1ccccc1NC(=O)CN(C)C(=O)[C@H]1CC(=O)N(Cc2ccc(C)cc2)C1 12762583 NSCPQXCCDHUOAS-FQEVSTJZSA-N 407.514 3.003 0 40 HGAB Cc1cccc2c(=O)n(CCCC(=O)NC[C@H](c3ccccc3)N3CCCC3)cnc12 12908839 YBONNRKAANTRCS-JOCHJYFZSA-N 418.541 3.438 0 40 HGAB CCCNC(=O)[C@@H](C)NC(=O)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1 12916704 ZXZVOJXSSXIDQX-CYBMUJFWSA-N 400.866 3.430 0 40 HGAB Cn1c(CCCNC(=O)[C@@H]2CCCO2)nc2cc(NC(=O)c3ccccc3)ccc21 13722873 QVQMQYZHBNTPKV-FQEVSTJZSA-N 406.486 3.053 0 40 HGAB Cn1c(CNC(=O)[C@@H]2CCCO2)nc2cc(NC(=O)c3ccccc3Cl)ccc21 13733548 PNBKRNRCLSQCDB-SFHVURJKSA-N 412.877 3.274 0 40 HGAB COc1ccc2c(COC(=O)c3ccc(OCC(F)(F)F)nc3)cc(=O)oc2c1 14168735 HKVMAQJRBUCSHI-UHFFFAOYSA-N 409.316 3.495 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(N2CCC(c3nc4ccccc4[nH]3)CC2)nc1 14307391 WXIIXIRGBSCXJI-UHFFFAOYSA-N 413.547 3.372 0 40 HGAB C[C@@]1(c2ccc(Br)cc2)NC(=O)N(CN2CCc3sccc3C2)C1=O 14310187 LWENRILSCZEQAK-SFHVURJKSA-N 420.332 3.293 0 40 HGAB COc1cc2ccccc2cc1C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21 15717979 SEJJMZFCVFXISF-UHFFFAOYSA-N 410.495 3.302 0 40 HGAB COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C(=O)NC[C@@H]2CCCO2)c1 15933603 BTXDTEWGZXTPOU-SFHVURJKSA-N 407.470 3.465 0 40 HGAB CC(C)(C)C(=O)[C@H]1[C@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@H]2[C@@H]2C=CC=NN21 15975116 RNQIHLDIRZDLLT-LWYYNNOASA-N 401.466 3.169 0 40 HGAB Cc1cc(NC(=O)CN2C(=O)c3ccccc3C2=O)n(-c2nc3ccccc3s2)n1 16851007 SSCDNGXLVLPGNZ-UHFFFAOYSA-N 417.450 3.025 0 40 HGAB Cc1ccc(C(=O)N2CCC[C@@H]2c2nnc(-c3nccc4ccccc34)o2)c(=O)n1C 19131633 PJPSHRUXJTYFAS-GOSISDBHSA-N 415.453 3.269 0 40 HGAB COc1ccc2c(c1)CN(C(=O)c1cnc(C)cn1)CC1(CCC(CN(C)C)CC1)O2 19238948 KZCGFQWWCALRCU-UHFFFAOYSA-N 424.545 3.319 0 40 HGAB CC[C@H](C)C(=O)N1CC[C@@H](c2nc(O)c3c(n2)CCN(Cc2ccccc2OC)C3)C1 19499783 OQATWKUFUVPNCU-FUHWJXTLSA-N 424.545 3.111 0 40 HGAB Cc1cc(CN(CCN2CCOCC2)Cc2cccnc2)c(C)n1-c1cccnc1 19567633 QPHLRAAPJRAYCT-UHFFFAOYSA-N 405.546 3.219 0 40 HGAB CCOC(=O)c1ccc(N2C(=O)C[C@@H](N3CC=C(c4ccccc4)CC3)C2=O)cc1 19809651 UFBNNZSXPAWWBZ-OAQYLSRUSA-N 404.466 3.285 0 40 HGAB COc1ccc(S[C@H](C)C(=O)Nc2ccccc2C(=O)N2CCOCC2)cc1 19934802 KAULJXFEQDRVRR-OAHLLOKOSA-N 400.500 3.287 0 40 HGAB CC(C)CNS(=O)(=O)c1ccc(OCC(=O)N[C@H]2CCCc3ccccc32)cc1 20019459 RCPHIIUSBVNCFM-NRFANRHFSA-N 416.543 3.194 0 40 HGAB COc1cccc2c([C@@H](C(=O)O)N3CCN(c4ccc(C(C)=O)cc4)CC3)c[nH]c12 20745968 NUSVVQGFLMQNPF-QFIPXVFZSA-N 407.470 3.327 0 40 HGAB CCOC(=O)c1c(COC(=O)c2ccc3c(c2)OCC(=O)N3)nc2ccccc2c1C 22260432 XPEJGBGVDSBCLU-UHFFFAOYSA-N 420.421 3.408 0 40 HGAB Cc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)N1CCc2sccc2C1 22597479 QVVNECXLOSEXJP-UHFFFAOYSA-N 416.524 3.327 0 40 HGAB CC(=O)N1CCC[C@@H](c2[nH]c3cccnc3c2CN2CCN(C3CCCC3)CC2)C1 23089285 ZUZHQNUAJZGWEA-LJQANCHMSA-N 409.578 3.349 0 40 HGAB CCOc1ccccc1NC(=O)C(=O)NCC1CCN(Cc2cccs2)CC1 23127545 JFGYLRMWOUIUMD-UHFFFAOYSA-N 401.532 3.114 0 40 HGAB Cc1ccccc1[C@@H](OC[C@@H](O)CN1C(=O)NC2(CCCC2)C1=O)c1ccccc1 24094625 RVBAJRSJRVRAJT-FPOVZHCZSA-N 408.498 3.327 0 40 HGAB CC(=O)c1cccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccccc3C)CC2)c1 24611516 MNBLKPWZXLAYAY-UHFFFAOYSA-N 414.527 3.378 0 40 HGAB C[C@H](NC(=O)COC(=O)[C@@H](C)SCC(=O)Nc1ccc(F)cc1)c1cccs1 24790668 LKNVCAZCWQIHDG-QWHCGFSZSA-N 424.519 3.368 0 40 HGAB O=C1c2ccccc2C(=O)N1C[C@H](O)CN1CCC(c2nc3ccccc3s2)CC1 24949598 OGJKGEFKDKABRU-MRXNPFEDSA-N 421.522 3.133 0 40 HGAB CCOC(=O)N1CCN(Cc2csc(CC(=O)Nc3cc(C)ccc3C)n2)CC1 25686521 SGKGPVYCFBCQDP-UHFFFAOYSA-N 416.547 3.215 0 40 HGAB COc1ccc(OC)c(CN(C(=O)c2sc3ncn(C)c(=O)c3c2C)C2CC2)c1 25807494 OLMHVCYLTDEUFA-UHFFFAOYSA-N 413.499 3.125 0 40 HGAB COc1ccc(OC)c([C@@H](O)CNC(=O)c2cc(C3CC3)nn2-c2ccccc2)c1 31337534 UIUUBOGBJAPBAB-NRFANRHFSA-N 407.470 3.230 0 40 HGAB Cc1cc(C)cc(C(=O)NCC(=O)Nc2cccc(NC(=O)[C@H](C)n3cccn3)c2)c1 31611767 GLZPSAVMEHURCB-KRWDZBQOSA-N 419.485 3.068 0 40 HGAB COc1ccccc1N1C[C@H](C(=O)Nc2nnc(CCc3ccccc3)s2)CC1=O 31815938 DCEKKCLMVPGXMA-MRXNPFEDSA-N 422.510 3.324 0 40 HGAB 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O=C(NC1CCCC1)c1nnn(-c2ccc(NC(=O)c3cc4ccccc4o3)cc2)n1 71003119 DLYPDSKUGURPNY-UHFFFAOYSA-N 416.441 3.333 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2ccc(N3CCN(C)CC3)nc2)cc1 72216561 KUYALWMIGPRJGL-NRFANRHFSA-N 414.575 3.058 0 40 HGAB CC1(C)C(=O)N(CN2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)C1(C)C 72301671 PBLKIXCIXGLZQT-CYBMUJFWSA-N 423.355 3.099 0 40 HGAB O=C1N[C@]2(C[C@H]3CC[C@@H]2C[C@@H]3C(=O)N2CCC(=O)[C@H]3CCCC[C@@H]32)Oc2ccccc21 72339130 PTQZIMJJUTXQOV-UVHBVXCTSA-N 422.525 3.302 0 40 HGAB COc1ccc(-c2c3c(O)nn(C(C)C)c3nc3[nH]c(=O)n(C)c23)cc1OC(C)C 79483311 BWMYREQWPKIKNM-UHFFFAOYSA-N 411.462 3.361 0 40 HGAB COc1ccc(NC(=O)CCC(=O)N2CCc3sccc3C2)c(OC)c1OC 83937328 IGAOWLBCMKHDBD-UHFFFAOYSA-N 404.488 3.078 0 40 HGAB COc1ccc(S(=O)(=O)N2C[C@H](C)CSc3ccccc32)cc1C(=O)N(C)C 89941251 HXLUUBOPNUKIGF-AWEZNQCLSA-N 420.556 3.334 0 40 HGAB COC(=O)c1ccc(F)cc1S(=O)(=O)Nc1ccc(C(=O)O)c(C(F)(F)F)c1 95428145 TZNUQJNDKDUZCA-UHFFFAOYSA-N 421.324 3.130 0 40 HGAB CO[C@H]1CCN(CC(=O)Nc2cccc(Cl)c2)[C@@H](CNC(=O)OC(C)(C)C)C1 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COc1cc(CN2CCC(NC(=S)NC3CCCC3)CC2)cc(OC)c1OC 225228668 AEPNWUNVZDKQEW-UHFFFAOYSA-N 407.580 3.084 0 40 HGAB CSc1ccc(S(=O)(=O)Nc2cccc(N3CCCC3=O)c2)cc1NC(C)=O 225605438 OYWUKIZRHMRXEF-UHFFFAOYSA-N 419.528 3.295 0 40 HGAB CC(C)(CC(=O)O)CC(=O)N1C[C@@H](c2ccccc2F)[C@@]2(CCCCC(=O)N2)C1 257258285 KTDSQLMLVKLKDU-KSFYIVLOSA-N 404.482 3.072 0 40 HGAB c1cnc(N2CC3(CN(CC4CC4)C3)[C@@]3(CCCN(Cc4cccnc4)CC3)C2)nc1 306128485 HBLCPUOXTDCUIZ-XMMPIXPASA-N 418.589 3.076 0 40 HGAB CC(C)n1cnc([C@@H]2CN(Cc3ccco3)C[C@@]23CCN(Cc2ccncc2)C3=O)c1 306133216 MFKDTSHKJNOXDP-URXFXBBRSA-N 419.529 3.470 0 40 HGAB O=C1CC[C@@]2(c3ccccc3)CCN(S(=O)(=O)C3CC3)[C@@H]2CN1C1CCCC1 306134457 NOFLISKGTOLRSA-IRLDBZIGSA-N 402.560 3.056 0 40 HGAB O=C(COC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1)Nc1ccccc1 408665226 QZGCHFZYRRCDJU-LVNJIZSUSA-N 418.449 3.018 0 40 HGAB Cc1nc(S/C(=C\c2cc(Br)c(Br)o2)C(=O)O)n[nH]1 409191441 HORJIPSYESAIHD-CLTKARDFSA-N 409.059 3.449 0 40 HGAB CCN(CC)CCn1ccc2cc(NC(=O)c3c(C)oc4ncn(C)c(=O)c34)ccc21 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400.843 3.044 0 40 HGAB CCCn1nc(C(=O)OCC(=O)Nc2ccc3c(c2)CCC3)c2ccccc2c1=O 6974961 GCTXDPRSJLFNKJ-UHFFFAOYSA-N 405.454 3.091 0 40 HGAB O=C(c1ccc(-n2cnc3ccccc32)cc1)N1CCN(C(=O)c2ccco2)CC1 8161630 FLWCEBPSURSAKA-UHFFFAOYSA-N 400.438 3.217 0 40 HGAB O=C(CSc1ncnc2ccccc12)c1ccc(S(=O)(=O)N2CCCC2)cc1 8189023 JRNPFQZNRPVRHU-UHFFFAOYSA-N 413.524 3.389 0 40 HGAB CC(C)(C)NC(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1 10692206 UICINHVKOSNSQO-UHFFFAOYSA-N 407.363 3.450 0 40 HGAB COC(=O)c1ccc(-c2c(Nc3ccccc3)oc3c2c(=O)n(C)c(=O)n3C)cc1 11027222 ZCYCUZYTNISQSZ-UHFFFAOYSA-N 405.410 3.027 0 40 HGAB C[C@H](Sc1nncn1CCc1cccs1)C(=O)NC(=O)NCc1ccccc1 11107447 IUZFYKFMTRTJPG-AWEZNQCLSA-N 415.544 3.089 0 40 HGAB O=C(Nc1ccc(Br)cc1F)c1ccc(=O)n(Cc2ccccc2)n1 11781275 NBMXZIKEACRFNO-UHFFFAOYSA-N 402.223 3.446 0 40 HGAB CC(=O)N1c2ccc([C@@H](O)CN3CCC(O)(c4ccc(F)cc4)CC3)cc2C[C@H]1C 12146831 VLOYFEDSIKUYRS-MWTRTKDXSA-N 412.505 3.140 0 40 HGAB COc1cccc(O[C@@H](C)C(=O)N2CCC[C@@H](c3noc(-c4cnc(C)cn4)n3)C2)c1 12187742 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O=C(Nc1ccccc1N1CCCCC1)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 15309191 AZTOVWRZBMWDNR-KRWDZBQOSA-N 421.497 3.440 0 40 HGAB Cc1nc(-c2ccc(CCNC(=O)[C@H](C)N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)cc2)cs1 15590303 QWJZYRHKBOYDGS-GDIGMMSISA-N 423.538 3.117 0 40 HGAB COc1cc(NC(=S)Nc2ccc(N3CCOCC3)cc2)cc(OC)c1OC 17082692 LTQJKASHUJRMSW-UHFFFAOYSA-N 403.504 3.358 0 40 HGAB CC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3cc(C)cc(C)c3)cc2)CC1 17088593 FLAMQQWAZHIUJW-UHFFFAOYSA-N 410.543 3.099 0 40 HGAB O=C(NCc1cccnc1)[C@@H]1CN(Cc2ccccc2)C[C@H]1C(=O)c1ccc(F)cc1 19372581 UFSGFKZEJQWCPT-DHIUTWEWSA-N 417.484 3.468 0 40 HGAB COc1ccc(OC)c(CN2CCC[C@H](c3nc(-c4ccncc4)cc(=O)[nH]3)C2)c1 19551543 YUMNXGVSSAMUTK-KRWDZBQOSA-N 406.486 3.229 0 40 HGAB Cc1nn(C)cc1C(=O)N1CCC(c2nc(NC3CC3)ncc2-c2ccccn2)CC1 19583468 NBINGOOLJGEUQN-UHFFFAOYSA-N 417.517 3.175 0 40 HGAB Cc1nc([C@@H]2CCCCN2C(=O)Cc2c[nH]c3ccccc23)ncc1C(=O)N(C)C 19754256 TYLAPXWQJZJWBO-FQEVSTJZSA-N 405.502 3.264 0 40 HGAB CCC(C)(C)n1nnnc1[C@@H](C(C)C)N1CCN(Cc2ccc3c(c2)OCO3)CC1 20139875 AHYKQSXMPUJDSR-HXUWFJFHSA-N 414.554 3.062 0 40 HGAB COc1ccccc1[C@@H](CNC(=O)c1cccc(N2CCCC2=O)c1)N1CCCC1 22680279 VYUZMRDGLPPQKP-OAQYLSRUSA-N 407.514 3.389 0 40 HGAB COc1ccccc1CNC(=O)C[C@H]1CCCCN1S(=O)(=O)c1cccs1 22732421 PCJDFJJISFRYSL-MRXNPFEDSA-N 408.545 3.006 0 40 HGAB O=C(c1cccs1)N1CCC(C(=O)N2CCN(Cc3cccs3)CC2)CC1 23736496 VVFNPEAUILEUQY-UHFFFAOYSA-N 403.573 3.006 0 40 HGAB COc1cc(C(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)cc(Cl)c1OC 24084392 ZLSLTWXPMAPVRU-UHFFFAOYSA-N 416.905 3.250 0 40 HGAB COc1ccc([C@@H](CNC(=O)c2cc(-c3ccc(C)cc3)n[nH]2)N2CCOCC2)cc1 29895428 ZMMKTZHTUWHPIZ-HSZRJFAPSA-N 420.513 3.197 0 40 HGAB O=C(Nc1nc(CN2CCOCC2)cs1)c1csc(Cc2ccccc2)n1 30557764 CLLUSQXKFUUHOR-UHFFFAOYSA-N 400.529 3.275 0 40 HGAB CCOC(=O)c1cnn(-c2cccc(NS(=O)(=O)c3ccc(OC)cc3)c2)c1C 32596726 IDWJHWAZPPTARO-UHFFFAOYSA-N 415.471 3.167 0 40 HGAB COc1ccc(CN2CCN(c3ccccc3S(=O)(=O)C(F)(F)F)CC2)cc1 32829150 PSKVLVHUAPEXNO-UHFFFAOYSA-N 414.449 3.311 0 40 HGAB CCNS(=O)(=O)c1ccc(C(=O)N(C)Cc2nc3ccccc3n2C(F)F)cc1 32895263 OPDZDCSPGZNUPU-UHFFFAOYSA-N 422.457 3.002 0 40 HGAB O=S(=O)(NC[C@H](c1ccccc1Cl)c1c[nH]c2ccccc12)N1CCOCC1 32899990 RKUFEBIFUHHQFD-GOSISDBHSA-N 419.934 3.120 0 40 HGAB O=C1CC[C@@]2(C(=O)NCc3ccccc3Cn3cccn3)Sc3ccccc3N12 32902802 VPHNAORCTMNMRK-QFIPXVFZSA-N 404.495 3.177 0 40 HGAB CCOc1ccc(OCC)c(NC(=O)CN2C(=O)NC3(C2=O)[C@@H](C)CCC[C@@H]3C)c1 32909185 IPFUHYIMMWYIRA-GJZGRUSLSA-N 417.506 3.169 0 40 HGAB O=C1c2ccccc2C(=O)N1CCSc1ncnn1C(=O)/C=C/c1cccs1 33528944 OPKUGYRGTGQHQR-BQYQJAHWSA-N 410.480 3.082 0 40 HGAB O=C1CN([C@H](C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c2ccccc2)CCN1 34800016 BBCGXCWFJUTQSR-KRWDZBQOSA-N 411.811 3.470 0 40 HGAB O=C(/C=C/c1ccccc1)NCCn1ncc2c(NCCc3ccccc3)ncnc21 35590581 MXRPRTMLAYBTEY-VAWYXSNFSA-N 412.497 3.311 0 40 HGAB COc1cccc(S(=O)(=O)Nc2ccc(Nc3cc(-n4ccnc4)ncn3)cc2)c1 35598114 BBZGQWUCOMTIHY-UHFFFAOYSA-N 422.470 3.215 0 40 HGAB COc1ccc(-n2nnnc2C2(Nc3ccc4c(c3)OCCO4)CCCC2)cc1OC 35622793 BSIDVHHVEYQKII-UHFFFAOYSA-N 423.473 3.332 0 40 HGAB O=C(NC1CC1)c1c(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2C(=O)O)sc2c1CCCC2 35897658 UNFDFCNSHHFYHV-AWBCAMRRSA-N 414.527 3.371 0 40 HGAB COc1ccc(C)cc1NC(=O)[C@@H]1CCN(S(C)(=O)=O)c2cc(Cl)ccc2O1 38849482 BPKIQCQZKIOALX-SFHVURJKSA-N 424.906 3.213 0 40 HGAB C[C@]1(c2cccc(C(F)(F)F)c2)NC(=O)N(CC(=O)NCCC2=CCCCC2)C1=O 40116810 HUGWSRPKVYACAH-HXUWFJFHSA-N 423.435 3.479 0 40 HGAB Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)NC[C@H]1CCS(=O)(=O)C1 44723457 JHHJAXYJQNHKIW-LLVKDONJSA-N 418.462 3.302 0 40 HGAB CCCCc1ccc(NC(=O)Cn2c(=O)n(CCCOC)c(=O)c3ccccc32)cc1 44841174 LABGOMBQSYSJNX-UHFFFAOYSA-N 423.513 3.181 0 40 HGAB CCOC(=O)C1=C(CN2CCc3ccccc3C2)NC(=O)N[C@H]1c1ccc(C)cc1 51318469 YDVYEGBLSOQILM-QFIPXVFZSA-N 405.498 3.224 0 40 HGAB COCCn1c(SCC(=O)Nc2ccc(C)cc2C)nc2ccsc2c1=O 57425760 HZOOEYNALWPVFJ-UHFFFAOYSA-N 403.529 3.452 0 40 HGAB CC[C@@H]1CCCCN1C(=O)Cn1nc(-c2ccc(Br)cc2)ccc1=O 57427366 ROGJILKFHBJQBF-MRXNPFEDSA-N 404.308 3.464 0 40 HGAB Cc1ccc2[nH]c(=O)c(CN(Cc3ccco3)Cc3nnnn3C(C)(C)C)cc2c1 57595269 LTRDYUQOBZPNSH-UHFFFAOYSA-N 406.490 3.373 0 40 HGAB Cc1ccc(S(=O)(=O)c2ccc(Cn3c(-c4ccccn4)noc3=O)cc2)cc1 58363199 PTBWPZQRBPTTAF-UHFFFAOYSA-N 407.451 3.088 0 40 HGAB Cc1ccc(Br)cc1NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 59308953 YMQZRTCTPALAAW-LBPRGKRZSA-N 417.259 3.478 0 40 HGAB CCOC(=O)C[C@H](c1ccc(-c2ccccc2F)o1)c1oc(CO)cc(=O)c1O 71279409 WIMCCKJYTUKDFA-CQSZACIVSA-N 402.374 3.322 0 40 HGAB CC(=O)NCc1cnc([C@@H]2CCCN2C(=O)COc2ccccc2)cc1C(F)(F)F 72356049 GPPBLDFYGZDKBP-IBGZPJMESA-N 421.419 3.479 0 40 HGAB O=C(CCC(=O)N1CCN(CCn2ccnc2-c2ccccc2)CC1)c1ccccc1 77158627 YKDVJNIXQDMTEK-UHFFFAOYSA-N 416.525 3.357 0 40 HGAB CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NCC2(c3ccncc3)CC2)cc1 95452980 WTMHZVGPXHNDAR-UHFFFAOYSA-N 421.522 3.368 0 40 HGAB Cn1nc([C@H]2CC[C@H](CNC(=O)Cc3ccc4c(c3)OCO4)CC2)c2cccnc21 100216405 JUDFPLRSWUQMHK-WOVMCDHWSA-N 406.486 3.330 0 40 HGAB CCn1/c(=N/C(=O)c2cc(OC)cc(OC)c2)sc2c(OC)ccc(OC)c21 100908697 HIPBVQVPXZVMCK-MRCUWXFGSA-N 402.472 3.498 0 40 HGAB CCCOc1ccc(/C=C2\SC(=O)N(CC(=O)OC)C2=O)cc1Br 106742726 XGWRFQULWFEKJY-JYRVWZFOSA-N 414.277 3.447 0 40 HGAB CNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CCc1ccc2c(c1)OCCO2 222531375 PJCZPADMJCIRSL-HNNXBMFYSA-N 416.905 3.207 0 40 HGAB CCOc1ccc(-c2noc(CNS(=O)(=O)c3ccc(OC)c(CC)c3)n2)cc1 223622215 XVLFCVZMZBHHMU-UHFFFAOYSA-N 417.487 3.185 0 40 HGAB CCSc1ccccc1NS(=O)(=O)c1ccc(OC)c(N2C(=O)CCC2=O)c1 225036792 IMSNAVJRHFNRDI-UHFFFAOYSA-N 420.512 3.261 0 40 HGAB COc1cc2c(cc1S(=O)(=O)NCCCN1CCc3ccccc3C1)CCCC2 225230079 DUBPKWRDZREKJY-UHFFFAOYSA-N 414.571 3.301 0 40 HGAB Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)N[C@H](C)c2ccccc2C)s1 225519097 IBKRUDOKUZKLCT-CQSZACIVSA-N 416.528 3.447 0 40 HGAB COc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc[nH]1 225660078 BCZKCKGNIZNFDN-LEWJYISDSA-N 421.526 3.420 0 40 HGAB CSc1ccc(S(=O)(=O)NCCCN(C)c2ccccc2)cc1NC(C)=O 225699344 NSSODJGCHDCECL-UHFFFAOYSA-N 407.561 3.172 0 40 HGAB CN([C@@H](C(=O)Nc1ccc(Br)cc1F)c1ccccc1)S(C)(=O)=O 225855572 OCZOGZNOJZKVNC-OAHLLOKOSA-N 415.284 3.159 0 40 HGAB COc1ccc(N(C)C(=O)Cn2ccc(=O)c3cc(Br)ccc32)cc1 225919457 KLDZQYSBZKBSMI-UHFFFAOYSA-N 401.260 3.436 0 40 HGAB CCNC(=O)C1(Cc2ccccc2-c2cccs2)CCN(C(=O)c2nc[nH]n2)CC1 257332990 XZPBIKRULGOQBY-UHFFFAOYSA-N 423.542 3.134 0 40 HGAB Cc1cccc(CN2CCC[C@]3(CN(CC4=CCCOC4)CC(F)(F)C3)C2=O)n1 306126806 FFTYQGWWLULHAY-NRFANRHFSA-N 405.489 3.187 0 40 HGAB Cc1cccc(CN2C[C@H]3Cc4nnc(C(=O)Nc5cccc(F)c5)n4C[C@H]3C2)c1 306137981 RLSKDMIMTGFOEC-QZTJIDSGSA-N 405.477 3.282 0 40 HGAB COc1ccccc1C(=O)N1CCN([C@@H](CCC(=O)O)c2ccc(F)cc2)CC1 408604999 GAOPJPIGZBVIIH-IBGZPJMESA-N 400.450 3.198 0 40 HGAB Cc1cc(S(=O)(=O)NC(C)C)ccc1OCC(=O)NCc1ccc(Cl)cc1 409391817 OTTJANIGFQGUFG-UHFFFAOYSA-N 410.923 3.030 0 40 HGAB Cc1ccccc1NS(=O)(=O)c1cc(C(=O)NC[C@H]2CCCO2)ccc1Cl 409410315 MHQSVXWBCHUICT-OAHLLOKOSA-N 408.907 3.358 0 40 HGAB CC(C)Oc1ccccc1CN1C[C@@H](C(=O)NCC(F)(F)F)C[C@H]2OCC[C@H]21 585108705 DKLSFWFNOLLALX-LZLYRXPVSA-N 400.441 3.132 0 40 HGAB CCOCCOc1ccc(CN(C)C[C@H](O)COc2ccccc2OCC)cc1 585269790 JMLQAHPVHMBPIH-FQEVSTJZSA-N 403.519 3.372 0 40 HGAB Cc1csc(Nc2nccnc2[C@@H]2CCCN(C(=O)/C=C/c3cccnc3)C2)n1 585291552 ACHHJLOVXPQFQA-DKRLNXSXSA-N 406.515 3.800 0 40 HGAB CCc1c(C(=O)Nc2cc(NC(=O)CN3CCCC[C@@H]3C)ccc2F)cnn1C 614671422 SSGYSPLXZADTNH-AWEZNQCLSA-N 401.486 3.187 0 40 HGAB COc1cc2cc(C(=O)Nc3ccn(Cc4ccncc4)n3)[nH]c2c(OC)c1OC 623424638 JRACUWWNBWTUGV-UHFFFAOYSA-N 407.430 3.086 0 40 HGAB O=C1CC[C@H](CN2CCC(c3ccc4cc(-c5ccncc5)cnc4n3)CC2)CN1 2086889799 HXKLFIZLQFGXKQ-KRWDZBQOSA-N 401.514 3.397 0 40 HGAB CC(=O)N(CCc1ccccc1)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1=O 713602 NTDAXRFQGKBUTB-GOSISDBHSA-N 415.287 3.172 0 40 HGAB CC(C)Oc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccccc3F)CC2=O)cc1 800572 QKGZDNBNKRPCRO-HNNXBMFYSA-N 414.433 3.148 0 40 HGAB CN(CC(=O)Nc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Br)cc1 1018870 DYZSCPMMKFNUMC-UHFFFAOYSA-N 417.712 3.362 0 40 HGAB CCCCN1C(=O)[C@@](O)(CC(=O)c2ccccn2)c2cc(Br)ccc21 2493095 WKDSPLTZEKFOCG-LJQANCHMSA-N 403.276 3.451 0 40 HGAB CC1CCN(c2nc3c(S(=O)(=O)c4ccccc4)nnn3c3ccccc23)CC1 2690458 BDDNRZZGCQJYLK-UHFFFAOYSA-N 407.499 3.347 0 40 HGAB Cc1cc(=O)oc2cc(OC(=O)[C@H](C(C)C)N3C(=O)c4ccccc4C3=O)ccc12 3145492 LHUIABMPSQCTAH-FQEVSTJZSA-N 405.406 3.328 0 40 HGAB CC(C)CCNC(=O)NC(=O)COC(=O)/C=C/c1cc(Br)ccc1F 3379800 NEGGUHJEGRCPJC-ZZXKWVIFSA-N 415.259 3.017 0 40 HGAB COc1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)cc1 3613148 YGNFBDUOWWVLCF-UHFFFAOYSA-N 422.934 3.453 0 40 HGAB O=C(CSc1ncnc2c1nnn2Cc1ccccc1F)Nc1ccc(F)cc1 4166510 MWNFXNPHLOPCTO-UHFFFAOYSA-N 412.425 3.279 0 40 HGAB CCCn1c(=O)c2c(nc3n2C[C@@H](C)CN3c2cccc(Cl)c2C)n(C)c1=O 4249476 ZWEXPTVKBUKVML-LBPRGKRZSA-N 401.898 3.056 0 40 HGAB CCc1cccc(CC)c1NC(=O)COC(=O)c1cccc(N2C(=O)CCC2=O)c1 4352362 OJIKEBQFCLUWIZ-UHFFFAOYSA-N 408.454 3.260 0 40 HGAB O=C(c1ccc2c(=O)n3c(nc2c1)CCCCC3)N1CCN(c2ccccc2)CC1 4867779 RPTCSDNQPNNVHZ-UHFFFAOYSA-N 402.498 3.085 0 40 HGAB CCn1c(CN2CCCCCC2=O)nnc1SCC(=O)Nc1ccccc1C 5538495 ZCDNESFBPLJQFA-UHFFFAOYSA-N 401.536 3.240 0 40 HGAB CSc1ccccc1NC(=O)CN1C(=O)N[C@](C)(c2cc(F)ccc2F)C1=O 5791855 LCOQHRQPQAXAIU-LJQANCHMSA-N 405.426 3.092 0 40 HGAB CCOc1ncccc1C(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)cc1 5938279 OKSWJFOYQZFVIN-HOTGVXAUSA-N 417.531 3.399 0 40 HGAB C[C@@H](NC(=O)c1ccccc1)c1nc2ccccc2n1CC(=O)NCC(F)(F)F 6025056 PXUOYJHUAUVNIE-CYBMUJFWSA-N 404.392 3.206 0 40 HGAB Cc1cc(Cl)ccc1OCC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 6648699 BAEYYBRTBSLCER-UHFFFAOYSA-N 408.907 3.450 0 40 HGAB CCOc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3ccc(Cl)cn3)n2N)cc1 7124342 XDORGNAVVXFAEB-NSHDSACASA-N 418.910 3.225 0 40 HGAB C[C@H](NS(=O)(=O)c1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc2c(c1)OCO2 7912809 JQXMVVJZISUQQN-ZDUSSCGKSA-N 404.488 3.018 0 40 HGAB Cc1cc(C(=O)COC(=O)c2ccc(=O)n(Cc3ccccc3)n2)c(C)n1C1CC1 7981175 CLQSRXFYPWDHMC-UHFFFAOYSA-N 405.454 3.085 0 40 HGAB CN(c1ccc(C(=O)NCCSCc2ccc(Cl)cc2)cc1)S(C)(=O)=O 8091301 OTVXGQUNNDXHDV-UHFFFAOYSA-N 412.964 3.399 0 40 HGAB COc1ccc(NC(=O)NC[C@H]2CC(=O)N(Cc3ccc(F)cc3)C2)c(OC)c1 9066867 BSNQDMCVDAKPIC-OAHLLOKOSA-N 401.438 3.013 0 40 HGAB O=C(CCc1nc2ccccc2c(=O)[nH]1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 9255913 KWMTYJDAQRPZHT-IBGZPJMESA-N 419.481 3.381 0 40 HGAB COC(=O)c1sc(NC(=O)COc2ccc(F)cc2Cl)c(C(=O)OC)c1C 9392774 YIFMQUKFJZNSGG-UHFFFAOYSA-N 415.826 3.440 0 40 HGAB O=C(CNC(=O)c1ccc(Br)o1)Nc1ccc2c(c1)OC1(CCCC1)O2 9413210 DPTKOAJUGNYZLJ-UHFFFAOYSA-N 421.247 3.452 0 40 HGAB CN(Cc1nc2ccccc2s1)C(=O)CSc1nnnn1Cc1cccs1 9789119 HKHHGBZVFAEXMX-UHFFFAOYSA-N 416.557 3.143 0 40 HGAB CC(C)[C@@H](NC(=O)c1c(F)cccc1F)C(=O)Nc1ccccc1N1CCOCC1 9909526 APRAKZWMKHWGCL-HXUWFJFHSA-N 417.456 3.195 0 40 HGAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(C(N)=O)cc3)cc2C)cc1 10369724 WEMAPZFKGQYTEF-UHFFFAOYSA-N 423.494 3.455 0 40 HGAB CCn1c(CN2CCCCCC2=O)nnc1S[C@H](C)C(=O)Nc1ccccc1F 11381071 WMFUFKYZLJFVDE-CQSZACIVSA-N 419.526 3.459 0 40 HGAB CCc1ccccc1N1C[C@@H](C(=O)Nc2ccc(N3CCCC3=O)c(OC)c2)CC1=O 11446437 VONPZZRRRPPLIP-KRWDZBQOSA-N 421.497 3.376 0 40 HGAB CCCC(CCC)C(=O)NCCn1ncc2c(=O)n(Cc3ccc(F)cc3)cnc21 12071663 TUCAFJRBFFBHJY-UHFFFAOYSA-N 413.497 3.113 0 40 HGAB Cc1nc2cc(C(=O)N3CCC[C@H](c4nc(-c5cccnc5)n[nH]4)C3)ccc2n1C 12087321 FFAZRXOGFJQRCZ-KRWDZBQOSA-N 401.474 3.082 0 40 HGAB Cc1cc(-c2snnc2C2CCN(C(=O)CSc3ccncc3)CC2)on1 12132086 UQHMXAOZMRCAFT-UHFFFAOYSA-N 401.517 3.395 0 40 HGAB CC1(C)Cc2nc(-c3ccncc3)ncc2[C@H](NC(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)C1 12221117 LHQXRPCVKRCOSF-VQIMIIECSA-N 421.545 3.315 0 40 HGAB Cc1ccc2c(c1)[C@@H](O)CC1(CCN(C[C@H](O)c3ccc4c(c3)OCCO4)CC1)O2 12329347 ZUOGIJIWJSTVCM-PMACEKPBSA-N 411.498 3.150 0 40 HGAB CS(=O)(=O)c1cc(Cl)cnc1[C@@H]1CCCN(C(=O)c2cc(C3CC3)on2)C1 12365285 DZUKWWFBQZNDGC-GFCCVEGCSA-N 409.895 3.024 0 40 HGAB Cc1cc(NC(=O)[C@H](C)SCC(=O)N[C@H](C)c2ccc(-n3ccnc3)cc2)no1 12547488 QYPDNAMEMJLLNN-CABCVRRESA-N 413.503 3.106 0 40 HGAB CCc1nn2c(=O)cc(CSc3nnc(NCc4ccccc4)s3)nc2s1 12763273 NJTFQYRXTRFHCS-UHFFFAOYSA-N 416.557 3.469 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)c2cc3ccccc3oc2=O)c1 12779567 DRAGFTIGKWRYKL-UHFFFAOYSA-N 414.483 3.384 0 40 HGAB O=C(NC1CCCCC1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 12802318 PDINJTMFZHKQKE-INIZCTEOSA-N 415.353 3.051 0 40 HGAB CC(=O)c1ccc(S(=O)(=O)NCCC(=O)Nc2ccc(C(C)(C)C)cc2)cc1 12822243 OPIICCIDDHKKEH-UHFFFAOYSA-N 402.516 3.494 0 40 HGAB C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N(C)Cc1ccccc1Br 12876918 NWPCYPQVGQAGRF-LLVKDONJSA-N 403.280 3.078 0 40 HGAB O=C(NC[C@H](c1cccs1)N1CCOCC1)c1cc(Br)ccc1O 12911793 OQTWRPCCKFBPSL-CQSZACIVSA-N 411.321 3.020 0 40 HGAB CN(CC(=O)Nc1ccc(Cl)cn1)CC(=O)Nc1ccccc1Br 12981225 XZQSLPDFOINRER-UHFFFAOYSA-N 411.687 3.007 0 40 HGAB CN1C(=O)COc2ccc(C(=O)CSc3nnc4c(n3)[C@@]3(C)CC[C@@H]4C3(C)C)cc21 13568800 WGOGWCZKZMGIES-WHEQGISXSA-N 424.526 3.377 0 40 HGAB Cc1cc(C(=O)NCCN2CCCCCC2)ccc1NS(=O)(=O)c1ccccc1 13676788 HMZNQEADEXPBIF-UHFFFAOYSA-N 415.559 3.402 0 40 HGAB CC[C@@H](C(=O)N1CCc2ccccc2C1)N(c1ccc(Cl)cc1)S(C)(=O)=O 13714284 CKXXNGNAOKFVHZ-IBGZPJMESA-N 406.935 3.470 0 40 HGAB COc1ccc(N2C(=O)C(=O)N(CN(C)Cc3cccc(Cl)c3Cl)C2=O)cc1 14187196 JMSAEXDZXHBZMW-UHFFFAOYSA-N 422.268 3.387 0 40 HGAB O=C(NC12CC3CC(CC(C3)C1)C2)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 14189149 OSSHSYHEBBXTGT-VQBCORBOSA-N 408.589 3.234 0 40 HGAB COc1ccccc1NC(=O)Cc1noc(COc2c(F)c(F)cc(F)c2F)n1 14249694 CDRLIAUBGKMRJS-UHFFFAOYSA-N 411.311 3.395 0 40 HGAB C[C@@H]1CCN(C(=O)C2=CC(c3ccc(F)cc3)=NS(=O)(=O)N2C)[C@@H]2CCCC[C@@H]12 15673431 KVPSFZYRUKXTRM-DKSSEZFCSA-N 419.522 3.116 0 40 HGAB CCCS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2ccccc2Br)n1 16753764 JODYJYZVUWESEH-UHFFFAOYSA-N 418.700 3.329 0 40 HGAB COc1cccc([C@]2(O)CC[C@H]3CN(S(=O)(=O)c4ccc(Cl)s4)C[C@@H]32)c1 19564974 YSGLBGUKGVQADZ-XLWVJDPXSA-N 413.948 3.328 0 40 HGAB CN(C)CCNc1nc(-c2cccnc2)nc2c1CN(Cc1ccc(F)cc1)CC2 19582960 OHRMJYPJZBYVPD-UHFFFAOYSA-N 406.509 3.210 0 40 HGAB COc1ccc(N2C[C@@H](NC(=O)c3cc(-n4cccn4)ccc3Cl)CC2=O)cc1 19715125 MXGHVOGSDKAXPX-AWEZNQCLSA-N 410.861 3.070 0 40 HGAB Cc1nc([C@@H]2CCCN(Cc3c(C)nn(-c4ccc(F)cc4)c3C)C2)ncc1C(N)=O 19763438 YCHQEGKQKWTAAF-QGZVFWFLSA-N 422.508 3.205 0 40 HGAB CCCN1C(=O)[C@H](C(=O)OCC)[C@@H](c2ccc(OC)c(O)c2)n2c1nc1ccccc12 20675219 REICXPZINOYIBW-WOJBJXKFSA-N 423.469 3.276 0 40 HGAB CCOC(=O)[C@@H]1C(=O)N=C(N2CCc3ccccc3C2)N[C@@H]1c1ccccc1Cl 20801420 QNHXJVLZHMGCOR-RBUKOAKNSA-N 411.889 3.105 0 40 HGAB C[C@H](OC(=O)c1cccnc1SC(F)F)C(=O)Nc1ccc2c(c1)OCCO2 22900449 AVFHNDIOCXSVIC-JTQLQIEISA-N 410.398 3.352 0 40 HGAB CN(C)[C@H](CNC(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1)c1cccs1 23106614 VYXCVHSELHOVII-CYBMUJFWSA-N 401.410 3.004 0 40 HGAB CCOc1c(C)cc(S(=O)(=O)NCC2CCN(Cc3ccco3)CC2)cc1C 23127697 GEGVGMVQRIJNHS-UHFFFAOYSA-N 406.548 3.486 0 40 HGAB CSCC[C@@H](NC(=O)c1ccco1)C(=O)N1CCN(c2cccc(Cl)c2)CC1 23155512 JMJOZQIZMYSPLD-QGZVFWFLSA-N 421.950 3.133 0 40 HGAB CCN(CC)C(=O)c1ccc(NS(=O)(=O)c2ccc(/C=C/C(=O)O)cc2)cc1 23385975 YDKJHBHGUUMHEJ-VGOFMYFVSA-N 402.472 3.067 0 40 HGAB O=C(Nc1ccncc1)C1CCN(C(=O)CCc2nnc(-c3ccsc3)o2)CC1 24700892 RZDZXSFQPAVYIC-UHFFFAOYSA-N 411.487 3.003 0 40 HGAB Cc1ccc(N(CCC(=O)Nc2ccn(C)n2)S(=O)(=O)c2ccc(C)cc2)cc1 24836734 CBAXLOVULKTIBF-UHFFFAOYSA-N 412.515 3.261 0 40 HGAB C[C@@H]1CCN(C(=O)CN2C(=O)N[C@H](CCc3ccccc3)C2=O)c2ccccc2S1 24993592 RNJIOAJMQNGIBT-SJLPKXTDSA-N 423.538 3.457 0 40 HGAB C[C@@H](OC(=O)Cc1ccc(N2CCCC2=O)cc1)C(=O)N[C@H]1CCCc2ccccc21 25115468 YXZUHMAZBSNJPK-VGSWGCGISA-N 420.509 3.481 0 40 HGAB COc1ccc(NC(=O)c2cc(Br)c(O)c(OC)c2)cc1NC(C)=O 25579377 NNXLLXSDYLATAX-UHFFFAOYSA-N 409.236 3.383 0 40 HGAB Cc1c(C(=O)N(CCc2ccccc2)Cc2cccs2)cnn1-c1ccc(=O)[nH]n1 25669777 BYKUCFILAZMYIX-UHFFFAOYSA-N 419.510 3.211 0 40 HGAB C[C@H]1Oc2ccccc2N(CC(=O)Nc2cccc(I)c2)C1=O 26068188 GMYCLNJJZBLSQZ-LLVKDONJSA-N 422.222 3.044 0 40 HGAB C[C@H](C(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1)n1ccc(C(F)(F)F)n1 27974047 NDWPEFKUGPEJRL-MRVPVSSYSA-N 418.422 3.115 0 40 HGAB Cn1c(CC(=O)Nc2ccccc2F)nnc1SCC(=O)c1ccc(F)cc1 32579336 FIGXJNYNPNGWGN-UHFFFAOYSA-N 402.426 3.250 0 40 HGAB O=C(Nc1ccc2c(c1)OCO2)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 32794953 GDUPCFWPNIRSOQ-NSHDSACASA-N 403.232 3.169 0 40 HGAB COc1ccc(Cl)cc1-c1nnc(SCC(=O)NCC2CCCCC2)n1N 32831450 WZYCVAFTOYOEFM-UHFFFAOYSA-N 409.943 3.110 0 40 HGAB COc1ccc(CCn2c(C)cc(C(=O)CN3C(=O)N[C@](C)(C4CC4)C3=O)c2C)cc1 32910671 MEYZRRLFUTYJNK-XMMPIXPASA-N 423.513 3.259 0 40 HGAB COc1ccc(CCN2C(=O)[C@@H](CCC(=O)Nc3ccc(F)c(F)c3)N=C2O)cc1 36594843 FXEMEIGCKXADRF-GOSISDBHSA-N 417.412 3.060 0 40 HGAB COc1ccc(CN2C(=O)[C@@H](CCC(=O)N[C@H]3CCCc4ccccc43)N=C2O)cc1 36597250 LVUCDAAVEIRAKJ-LEWJYISDSA-N 421.497 3.294 0 40 HGAB CC(=O)c1ccccc1NC(=O)CN(C)Cc1ccc(C(=O)NCC(F)(F)F)cc1 36753914 IOYMEMORLBWKII-UHFFFAOYSA-N 421.419 3.252 0 40 HGAB CCOC(=O)C1CCN(C(=O)Cn2c(Cc3ccccc3)nc3ccccc32)CC1 37398265 IHPXDJVLVVLUJX-UHFFFAOYSA-N 405.498 3.429 0 40 HGAB Cn1c2ccccc2c2cc(S(=O)(=O)N3CCN(Cc4ccco4)CC3)ccc21 40152943 BUWCXCHAZNVZRK-UHFFFAOYSA-N 409.511 3.431 0 40 HGAB CCCCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)Nc1nc(C)c(C)s1 40287509 BCPQTRULGUJUHH-NRFANRHFSA-N 412.515 3.478 0 40 HGAB Cc1ccc(-c2nn3c(=O)cc(CNC(=O)COc4ccccc4C)nc3s2)cc1 41089853 JGKWQPRYMKJFKV-UHFFFAOYSA-N 420.494 3.130 0 40 HGAB Cc1ccc(F)cc1-n1ccn(CC(=O)Nc2cc(Cl)ccc2Cl)c(=O)c1=O 67320536 CVJXRTWJBACQSC-UHFFFAOYSA-N 422.243 3.392 0 40 HGAB O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)N1CCC[C@H](C2OCCO2)C1 69257222 ABGZVXYRGGYTDI-ZDUSSCGKSA-N 409.895 3.094 0 40 HGAB CCNC(=O)N1CCc2c(cccc2-n2nnc(C(=O)NC3CCCCCC3)c2C)C1 69973811 AVNVWTVPWDLVQQ-UHFFFAOYSA-N 424.549 3.116 0 40 HGAB Cc1cc(Cc2ccccc2F)cc([C@H]2CCCN(C(=O)c3ccc(=O)[nH]n3)C2)n1 72356162 SCCZSVNPBOHKQV-SFHVURJKSA-N 406.461 3.223 0 40 HGAB COc1cccc2sc(N3CC(OC(=O)c4cc(=O)c5ccccc5o4)C3)nc12 77200599 MTXYRFXTILABFP-UHFFFAOYSA-N 408.435 3.457 0 40 HGAB Cc1occc1C(=O)N1CCC2(CC1)C[C@H](CC(=O)NCCN(C)C)c1ccccc12 96052885 CCMDCFFJJVMETI-IBGZPJMESA-N 423.557 3.317 0 40 HGAB COc1ccc(CN2CCc3c(nc4cc(-c5ccoc5C)nn4c3O)C2)cc1CO 100182242 OLQNEOWLPCDSTM-UHFFFAOYSA-N 420.469 3.063 0 40 HGAB C/C(O)=C1/C(=O)N(c2ccccc2)C(=O)[C@]1(NC(=O)c1ccc(F)cc1)C(F)(F)F 100229927 FMMGYDGUDFQQAQ-LSSBLYJVSA-N 422.334 3.262 0 40 HGAB O=C1[C@H]2CC=CC[C@H]2C(=O)N1CC(=O)N1CCc2sccc2[C@H]1c1ccccc1 101108886 IKBPYUDVZOOIGW-LLGFUMIMSA-N 406.507 3.173 0 40 HGAB COc1ccc(NC(=O)c2ccccc2N2C(=O)[C@H]3CC=CC[C@H]3C2=O)c(OC)c1 136530060 KCZGXEQVABUQIV-IYBDPMFKSA-N 406.438 3.412 0 40 HGAB O=C(Nc1cnn(C[C@H]2COc3ccccc3O2)c1)C1(c2ccccc2)CCOCC1 206842502 QJOLHVGIIUNRLQ-FQEVSTJZSA-N 419.481 3.410 0 40 HGAB O=C(NCCCN1CCOCC1)c1ccc(OCCSc2ccccc2)cc1 216496161 KTQVRGDHMWZRPT-UHFFFAOYSA-N 400.544 3.310 0 40 HGAB CC[C@@H](C(=O)NCCCc1cccc(C)c1)N(c1ccc(F)cc1)S(C)(=O)=O 219112811 KUDAMUCYWPLMHC-FQEVSTJZSA-N 406.523 3.428 0 40 HGAB COC(=O)c1cccc(NC(=O)CN2c3ccccc3-c3ccccc3S2(=O)=O)c1 219152814 YEBHCZNGXJXJGG-UHFFFAOYSA-N 422.462 3.288 0 40 HGAB COC(=O)c1cc(S(=O)(=O)Nc2ccc(N3CCCC3=O)c(C)c2)ccc1C 223824696 VVSFXSUGQDZYIH-UHFFFAOYSA-N 402.472 3.018 0 40 HGAB CCc1ccc(OCCNC(=O)[C@H](C)N(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 223891984 MPVKPINTRBSWLZ-SFHVURJKSA-N 418.559 3.216 0 40 HGAB CC(C)C(=O)Nc1nnc(S(=O)(=O)N[C@H](C)CC(C)(C)c2ccccc2)s1 224098899 JPNVWXIGTRRMED-CYBMUJFWSA-N 410.565 3.167 0 40 HGAB CCN(c1ccc(C(=O)Nc2ccccc2C(N)=O)cc1)S(=O)(=O)c1ccccc1 224365395 KDMBKPLEUJCMNX-UHFFFAOYSA-N 423.494 3.253 0 40 HGAB C[C@]12CC[C@H](O)C[C@@H]1CC[C@H]1[C@H]2[C@@H](O)C[C@@]2(C)[C@@H](c3ccc(=O)oc3)CC[C@]12O 256415602 FMTLOAVOGWSPEF-NAMMQTJISA-N 402.531 3.213 0 40 HGAB CCc1onc(C)c1-c1cccc([C@@H]2CN(C(=O)Cc3c(C)noc3C)CCO2)n1 257289529 PZAKBEHYZCUMLY-FQEVSTJZSA-N 410.474 3.355 0 40 HGAB CCc1cc(C(=O)N2CCC(COc3ccc(Cl)cc3)(CC(N)=O)CC2)on1 257304909 SNPJRFAJCIIVLT-UHFFFAOYSA-N 405.882 3.067 0 40 HGAB COc1cccc2c1OC(C)(C)[C@H]1C[C@@H]3[C@H](CCN3C(=O)CCCC(=O)O)O[C@H]21 257327217 XANIXAHDXQNQNL-KSVNGYGVSA-N 403.475 3.168 0 40 HGAB CCc1onc(C)c1-c1cccc([C@H]2CN(C(=O)c3cccnc3OC)CCO2)n1 257338891 YZHUAHKBXMXPGO-LJQANCHMSA-N 408.458 3.225 0 40 HGAB CCc1ccc([C@H](C)NC(=O)[C@H]2CN(S(=O)(=O)CC)c3ccccc3O2)cc1 260762241 HBCPWIUOCMADQU-MGPUTAFESA-N 402.516 3.044 0 40 HGAB CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N[C@H](C)c1ccc(F)cc1 260815144 SRNQUWBQWLIJET-KUHUBIRLSA-N 408.495 3.256 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCSc3ccccc3)C2)cc1 260907925 UHEAMJIIIYBJHP-SFHVURJKSA-N 418.584 3.304 0 40 HGAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(F)cc3)C2)cc1 408558614 JUWQSPYXEXTGKR-OAHLLOKOSA-N 406.479 3.264 0 40 HGAB Cc1cc(S(=O)(=O)NC(C)C)ccc1OCC(=O)N[C@H](C)CCc1ccccc1 408584287 NUZBCSRKZZBUIF-GOSISDBHSA-N 418.559 3.198 0 40 HGAB O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)CCCC1=O)c1ccc(F)cc1 408645190 HSRHUYPQPVBEIH-UHFFFAOYSA-N 402.809 3.258 0 40 HGAB CCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)OC)cc1NC(=O)CC 408697098 HITPVYIPLRLAFY-UHFFFAOYSA-N 406.460 3.021 0 40 HGAB COC(=O)CSc1nc2ccc(NC(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C(=O)O)cc2s1 408750405 MKAACFCCUYTYSK-VUKUWZNJSA-N 418.496 3.023 0 40 HGAB CCOCCCNC(=O)CN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccccc1 409123246 AZOPBZGVWHOZEP-UHFFFAOYSA-N 424.950 3.387 0 40 HGAB CCOC1(CNC(=O)[C@H]2CCC[C@@H]2C(=O)NCC2(OCC)CCCC2)CCCC1 506412623 YMRGOQKAPZHJPD-OALUTQOASA-N 408.583 3.334 0 40 HGAB CC(C)(C)C(=O)NCCc1ccc(S(=O)(=O)N2CCc3cccc(F)c32)s1 538840947 UMDGRAJNIBTUEM-UHFFFAOYSA-N 410.536 3.343 0 40 HGAB CN1CCN([C@H](c2ccccc2)c2nc(-c3ccc(Br)o3)no2)CC1 573231570 LKWMYRSTPUMBIB-MRXNPFEDSA-N 403.280 3.429 0 40 HGAB O=S1(=O)C[C@@H](N(c2cccc(O)c2)C(c2ccccc2)c2ccccc2)[C@@H](O)C1 575420433 HWPQRKUIYCVVNU-YADHBBJMSA-N 409.507 3.146 0 40 HGAB O=C(Cn1ccc2ccccc21)N1CCC[C@@H](Oc2ncc(Br)cn2)C1 575614349 ZSRPGLNQRWDOHS-MRXNPFEDSA-N 415.291 3.264 0 40 HGAB C[C@@H]1c2nc(CC(=O)NC3CCCC3)cn2CCN1C(=O)c1c[nH]c2ccccc12 585098778 ZZTUCGAEABZLSM-OAHLLOKOSA-N 405.502 3.183 0 40 HGAB CC[C@H]1CCCCN1C(=O)CC1(N2Cc3ccccc3C2=O)CCN(C(C)=O)CC1 1565524667 RITVRVBZPNSUQR-FQEVSTJZSA-N 411.546 3.205 0 40 HGAB Cc1ccc(C)c(S(=O)(=O)NCc2ccc(C(=O)NCc3ccccn3)cc2)c1 630777 ZMWAVQKPAKLZHX-UHFFFAOYSA-N 409.511 3.107 0 40 HGAB CCc1nnc(NC(=O)c2cc(S(=O)(=O)N(CC)CC)ccc2Cl)s1 854134 HVSLRSOFVFGUPA-UHFFFAOYSA-N 402.929 3.037 0 40 HGAB Cc1ccc(OCc2nnc(SCC(=O)Nc3ccc4c(c3)OCO4)n2C)cc1 881585 DQYUVGQQANIKMJ-UHFFFAOYSA-N 412.471 3.162 0 40 HGAB CCCn1c(=O)c2ccccc2n2c(SCC(=O)Nc3ccccc3OC)nnc12 3375759 LQXKGKHKCMZRMO-UHFFFAOYSA-N 423.498 3.194 0 40 HGAB Cc1ccc(NC(=O)C[S@@](=O)CC(=O)N[C@H](C)CCc2ccco2)cc1Cl 4355076 MIKYFTKIPFTRAX-LOKFHWFJSA-N 410.923 3.066 0 40 HGAB aggregator CCCOC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccc(OC)c(Br)c1 4368265 MJRGCTJHDSHELK-HNNXBMFYSA-N 407.268 3.291 0 40 HGAB CC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)c2nc(-c3ccccc3C)no2)cc1 4998346 AJCHMLZSSGDNFE-CYBMUJFWSA-N 400.460 3.043 0 40 HGAB CCn1cc(C2=NO[C@H](C(=O)Nc3c(C)nn(Cc4ccc(F)cc4)c3C)C2)c(C)n1 5053534 SPZKOAAFKYPJLF-FQEVSTJZSA-N 424.480 3.344 0 40 HGAB CCOc1cc(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)ccc1OCC(=O)O 5444459 BTOWXEKLYPBJAQ-UHFFFAOYSA-N 400.456 3.393 0 40 HGAB COc1ccc(C(=O)NN2C(=O)/C(=C/c3ccccc3OC)SC2=S)cc1 5526890 KKNLKSFVOJZLPW-WJDWOHSUSA-N 400.481 3.250 0 40 HGAB Cc1ccc(NC(=O)CSc2ccc(S(=O)(=O)N3CCCC3)cn2)cc1F 5704059 VHNYHOJAZGOAIC-UHFFFAOYSA-N 409.508 3.044 0 40 HGAB CCCCn1nc(C(=O)Nc2sc3c(c2C(N)=O)CCC3)c2ccccc2c1=O 6084615 VGWZNYUUAJHFOM-UHFFFAOYSA-N 410.499 3.098 0 40 HGAB O=C(COC(=O)/C=C/c1ccc2ccccc2n1)Nc1ccccc1C(=O)NC1CC1 6559014 CJQZVQBEUVLCDN-BUHFOSPRSA-N 415.449 3.322 0 40 HGAB Cc1ccc(SCC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)cc1C 6865936 WKDUWOFNQFKHKU-UHFFFAOYSA-N 420.556 3.055 0 40 HGAB Cc1cccc(N2C[C@@H](C(=O)Oc3ccc(N4C(=O)CCCC4=O)c(C)c3)CC2=O)c1 7928572 XHLHOPHKSXZKKL-KRWDZBQOSA-N 420.465 3.305 0 40 HGAB C[C@H]1CCc2c(sc(NC(=O)C3=NN(c4ccccc4)C(=O)CC3)c2C(N)=O)C1 7986486 VOCQTLDEBDKHDX-LBPRGKRZSA-N 410.499 3.093 0 40 HGAB COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)Cc1coc2cc(C)ccc12 8013146 YPYGVJMRAPHTMA-UHFFFAOYSA-N 405.454 3.195 0 40 HGAB C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)N1CC[C@@H]2CCCC[C@@H]2C1 8266567 RGMFWZJLWGHHAD-CEXWTWQISA-N 419.591 3.310 0 40 HGAB CCCCSc1nc2c(c(=O)[nH]1)[C@H](c1cccnc1)C(C(=O)OCC)=C(C)N2 8346037 BUKYRDQQXOOKDD-OAHLLOKOSA-N 400.504 3.452 0 40 HGAB CCn1c(=O)c(C)nc2cc(C(=O)N3CCC[C@H]3c3ccc4c(c3)OCCO4)ccc21 8366797 POSFHXXFOGAVHA-IBGZPJMESA-N 419.481 3.473 0 40 HGAB Cn1c(=O)c2c(-c3ccccc3)n3c(c2n(C)c1=O)[C@@H](c1ccc(Cl)cc1)OCC3 9042851 BHVYEJXGRYYXIR-OAQYLSRUSA-N 421.884 3.479 0 40 HGAB CN(c1cccc(NC(=O)C2CCN(Cc3ccc(F)cc3)CC2)c1)S(C)(=O)=O 9063600 AORHVMFEXWJJFL-UHFFFAOYSA-N 419.522 3.072 0 40 HGAB Cc1nn2c(=O)[nH]c(SCC(=O)Nc3ccccc3F)nc2c1-c1ccccc1 9107445 VNLJGTXKXKABSK-UHFFFAOYSA-N 409.446 3.263 0 40 HGAB CS(=O)(=O)c1cccc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)c1 9503260 XPYVLKKPGDQZBS-SFHVURJKSA-N 401.484 3.229 0 40 HGAB O=C(Nc1ccc(Cl)cc1)c1ccc(NC2=N[C@H]3CS(=O)(=O)C[C@@H]3S2)cc1 9530095 QQDCEDMJQVGZDB-HOTGVXAUSA-N 421.931 3.273 0 40 HGAB O=C(C[C@@H]1Sc2ccccc2NC1=O)OCCCCN1C(=O)c2ccccc2C1=O 9669899 FXNTWBAOGLDVBR-SFHVURJKSA-N 424.478 3.109 0 40 HGAB COc1ccc(S(=O)(=O)CCC(=O)Nc2nnc(-c3ccc(C)cc3C)o2)cc1 10219513 GSSKSWPEPPSVOR-UHFFFAOYSA-N 415.471 3.165 0 40 HGAB Oc1nnc(-c2ccc(Cl)cc2Cl)c2c1Nc1nnnn1[C@@H]2c1ccco1 10298319 LTMZXHCUHIBKKZ-CQSZACIVSA-N 402.201 3.430 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCc4sccc4C3)CC2)c(C)c1 10923118 BNZSVZSAPAELGS-UHFFFAOYSA-N 418.584 3.351 0 40 HGAB C[C@H](OC(=O)c1cc(S(C)(=O)=O)ccc1Cl)C(=O)N1c2ccccc2C[C@H]1C 11311704 ZYCDWMLYXLUUBK-OLZOCXBDSA-N 421.902 3.267 0 40 HGAB C[C@H](NC(=O)COc1ccccc1F)c1nc2cc(-c3ccccc3F)ncn2n1 12085141 BOQUJSSRFDBYHR-ZDUSSCGKSA-N 409.396 3.326 0 40 HGAB O=C(N[C@@H]1CCCc2c1cnn2-c1ccc(F)cc1)[C@@H]1CCCN1C(=O)C(F)(F)F 12146037 DRKWQLPTHGXUNL-WBVHZDCISA-N 424.398 3.058 0 40 HGAB CCC(=O)N1CCc2cc([C@H](O)CN3CCC[C@@](O)(c4ccccc4OC)C3)ccc21 12181134 BYBQVVZADSKVRJ-RDGATRHJSA-N 424.541 3.011 0 40 HGAB O=C(CS(=O)(=O)c1ccc(F)cc1)N[C@@H](Cc1ccsc1)c1nccs1 12226718 SBNHLPMVRJPRAE-HNNXBMFYSA-N 410.517 3.218 0 40 HGAB CCOc1cc(CCC(=O)N2CCC(c3nc4ccccc4cc3C(N)=O)CC2)on1 12254805 NHALWAJRAAIFOO-UHFFFAOYSA-N 422.485 3.059 0 40 HGAB O=C(Cc1cc(F)ccc1F)N1CCC(c2nc(O)cc(-c3ccccn3)n2)CC1 12256512 WELFLZLFTNLKOA-UHFFFAOYSA-N 410.424 3.471 0 40 HGAB O=S(=O)(Nc1ccc(N2CCCS2(=O)=O)cc1)c1ccc(Cl)c(Cl)c1 12604640 SWCXTFSFNDSZPU-UHFFFAOYSA-N 421.327 3.334 0 40 HGAB COc1cc(CCC(=O)N2CCC(C(=O)Nc3ccccc3O)CC2)cc(OC)c1 12786512 YYIXHWWMRIEZRW-UHFFFAOYSA-N 412.486 3.219 0 40 HGAB O=C(COc1ccc(I)cc1)c1c[nH]c(C(=O)N2CCCC2)c1 12813784 ZQJLOMHEMKYPAM-UHFFFAOYSA-N 424.238 3.117 0 40 HGAB O=C(CSc1nnc(-c2ccc(F)cc2)n1C[C@H]1CCCO1)NCc1ccco1 12888967 POZRDNQTQQNAOZ-QGZVFWFLSA-N 416.478 3.265 0 40 HGAB CN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1cnn(Cc2ccccc2)c1 12918276 AVEYVTOKLDXQFG-UHFFFAOYSA-N 402.376 3.059 0 40 HGAB Cc1cc(C)c(NC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)OCCCO3)c(C)c1 13071496 UXMCLJBIMBQHGF-UHFFFAOYSA-N 418.515 3.032 0 40 HGAB O=C(c1cccs1)N1CCC[C@@H](c2nc(O)c3nnn(Cc4ccccc4)c3n2)C1 13150671 LFCFCGYSHJVNHZ-OAHLLOKOSA-N 420.498 3.057 0 40 HGAB O=S1(=O)c2ccccc2[C@H](O)[C@H](Cc2ccncc2)N1CCCc1ccccc1 13725469 JVRQXALBGHTMJD-GMAHTHKFSA-N 408.523 3.363 0 40 HGAB Cc1ccccc1-n1ncc2c(C(C)C)nn(CC(=O)N3CCC(C)CC3)c(=O)c21 13971414 APIDDKMWPWSMLT-UHFFFAOYSA-N 407.518 3.273 0 40 HGAB CCOC(=O)c1sc(NC(=O)C2(S(=O)(=O)c3ccccc3)CCCC2)nc1C 14078372 NHVPQPLDRQXZMO-UHFFFAOYSA-N 422.528 3.353 0 40 HGAB Cc1n[nH]c(C)c1NC(=O)c1ccccc1NC(=O)Cc1ccc2oc(=O)oc2c1 14404805 GDZUBGJJZDWGOP-UHFFFAOYSA-N 406.398 3.159 0 40 HGAB CC(C)C[C@@H](NC(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)c1nc2ccccc2[nH]1 16967238 QFTBLGAEQCQZBX-JTDSTZFVSA-N 408.502 3.108 0 40 HGAB O=C(NCCC[C@H]1CCOC1)C1(C[C@@H]2CC(c3cccc(F)c3)=NO2)CCOCC1 19293669 GZGLCVWCIVVRGA-PXNSSMCTSA-N 418.509 3.439 0 40 HGAB CC(=O)N[C@H]1c2ccccc2CC[C@@]12CN(Cc1ccccc1)C[C@H]2C(=O)NC(C)C 19449786 VJMXMHSFPSMDPT-GNKBHMEESA-N 419.569 3.453 0 40 HGAB CC1(C)NC(=O)N(Cc2ccc(NC(=O)c3cccc(Cn4cccn4)c3)cc2)C1=O 19460190 UNLZJBGHTLLDLJ-UHFFFAOYSA-N 417.469 3.014 0 40 HGAB CCOc1ccc(O[C@@H](C)C(=O)N2CCC(c3cc4ncccc4c(=O)[nH]3)CC2)cc1 19533578 LUFHZOUGMHPLKG-INIZCTEOSA-N 421.497 3.495 0 40 HGAB Cn1c(=O)oc2ccc(C(=O)Nc3nnc(Cc4ccc(Cl)cc4)s3)cc21 19658522 NPAMCCIOLYBSPS-UHFFFAOYSA-N 400.847 3.480 0 40 HGAB Cc1cc(C(=O)N2CCN(c3nc4ccccc4s3)CC2)c2c(C)nn(C)c2n1 19662748 WTPSWVVFYAFVRA-UHFFFAOYSA-N 406.515 3.157 0 40 HGAB CC(=O)N1CCC(c2c(CNC(=O)c3ccncc3)cnn2-c2cccc(F)c2)CC1 19697159 COWJAKLSLMOUMN-UHFFFAOYSA-N 421.476 3.062 0 40 HGAB CCOc1ccccc1N(CC(=O)N[C@H]1CCCc2ccccc21)S(C)(=O)=O 22333077 XJMBQHLFYNRPBE-SFHVURJKSA-N 402.516 3.045 0 40 HGAB CCOc1cccc(N(CC(=O)NCCSc2ccc(C)cc2)S(C)(=O)=O)c1 22384484 WLZXWHOHKSPCIY-UHFFFAOYSA-N 422.572 3.068 0 40 HGAB COc1ccc(CN(C)C(=O)c2ccccc2S[C@@H]2CCS(=O)(=O)C2)cc1 24400236 XQPGCGBHQFNPDU-QGZVFWFLSA-N 405.541 3.247 0 40 HGAB c1ccc(N2CCN([C@@H](c3cccnc3)c3nnnn3C3CCCCC3)CC2)cc1 25176980 UJDWZGYRGIIOMQ-QFIPXVFZSA-N 403.534 3.485 0 40 HGAB CCCNC(=O)CSc1nnc(S[C@@H](C)c2nc3ccccc3c(=O)[nH]2)s1 26219598 OOMPMIWXNVVWLR-JTQLQIEISA-N 421.573 3.246 0 40 HGAB CN1CCN(c2ccc(CNC(=O)NCc3ccc(Cl)cc3Cl)cn2)CC1 26284479 GZRKORXVVDAYCO-UHFFFAOYSA-N 408.333 3.140 0 40 HGAB COc1ccc(S[C@@H](C)C(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)cc1 30851871 HYFJRMUVHIURIV-AWEZNQCLSA-N 420.556 3.015 0 40 HGAB CCSc1nnc(NC(=O)CSc2nnc(COc3ccccc3)o2)s1 32698420 JGQRQSKFDVIUBJ-UHFFFAOYSA-N 409.518 3.343 0 40 HGAB COc1ccc(NS(=O)(=O)c2ccc(C(=O)NCc3nc(C)cs3)cc2)cc1 32882243 WUKUDHZSSGFSNH-UHFFFAOYSA-N 417.512 3.191 0 40 HGAB NC(=O)[C@@H]1Cc2ccccc2CN1CC(=O)N[C@@H](c1ccc(F)cc1)c1cccs1 35388333 UETZCOUQACQXDM-UGKGYDQZSA-N 423.513 3.005 0 40 HGAB CCCN(Cc1cc(=O)n2ccc(C)cc2n1)S(=O)(=O)c1ccc(Cl)cc1 35828484 UZJYHUUUWYCCPP-UHFFFAOYSA-N 405.907 3.257 0 40 HGAB O=c1c2scc(-c3ccc(F)cc3)c2ncn1Cc1cc(=O)n2ccccc2n1 38487122 NEMJISOCNHQNDE-UHFFFAOYSA-N 404.426 3.320 0 40 HGAB CCCCCn1c(=O)c2ccccc2n(Cc2nc(-c3ccccc3OC)no2)c1=O 38653113 SIFYQBKQSLLPMT-UHFFFAOYSA-N 420.469 3.460 0 40 HGAB C[C@@H]1C[C@@H]1C(=O)NCCC(=O)Nc1ccc(Br)cc1Br 40090182 XFWWAWJIKDUXGE-SCZZXKLOSA-N 404.102 3.312 0 40 HGAB CC[C@H](NC(=O)[C@@H]1CN(S(C)(=O)=O)c2ccccc2O1)c1ccc(C)c(C)c1 44856571 BIBQRUPGRXEGLL-PXNSSMCTSA-N 402.516 3.098 0 40 HGAB O=C1C[C@H](C(=O)N(Cc2ccccc2)c2ccccn2)CN1c1ccc2c(c1)OCO2 48354219 BJSBONYHUXWJOO-SFHVURJKSA-N 415.449 3.397 0 40 HGAB Cc1cc(C)cc(-n2cc(C(=O)N3CCC(NC(=O)c4cccc(F)c4)CC3)nn2)c1 49406394 COXFNFPQHKHXQU-UHFFFAOYSA-N 421.476 3.058 0 40 HGAB Cc1cc(-n2cc(C(=O)N3CCC(NC(=O)c4ccccc4C)CC3)nn2)ccc1F 49406487 LYVFUFOVZAKJMX-UHFFFAOYSA-N 421.476 3.058 0 40 HGAB COc1ccccc1OCC(=O)Nc1cccc(Nc2ncnc3c2cnn3C)c1 52486213 HXXWQURHAFTEGF-UHFFFAOYSA-N 404.430 3.133 0 40 HGAB COc1ccccc1-n1c(=O)c2sccc2n(CC(=O)Nc2ccccc2C)c1=O 57490755 QXGLCFQRRRSRNS-UHFFFAOYSA-N 421.478 3.170 0 40 HGAB COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1C(=O)Cc1cccc(F)c1 60388039 NPKFTDIHTULHJZ-GOSISDBHSA-N 401.434 3.075 0 40 HGAB C[C@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)N1CCc2ccccc2C1 60512832 ACHKPRKJICRFOW-LBPRGKRZSA-N 413.326 3.245 0 40 HGAB Cc1ccc(CNC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2Cc2ccco2)cc1 67236300 ANEMQURZNJVJND-UHFFFAOYSA-N 422.510 3.391 0 40 HGAB O=C(CCn1ccn2nc(-c3ccc(F)cc3)cc2c1=O)NCCCc1ccccc1 67261138 MYMPECGYCVWZTD-UHFFFAOYSA-N 418.472 3.441 0 40 HGAB Cc1c(-c2ccccc2)oc2c(C(=O)N[C@@]3(C)CCS(=O)(=O)C3)cccc2c1=O 69084082 BAOGKJICASNLHK-QFIPXVFZSA-N 411.479 3.075 0 40 HGAB Cc1ccc(C(=O)n2nc(N)cc2-c2ccc(I)cc2)n1C 72313168 FCWFCUGEQLGKEQ-UHFFFAOYSA-N 406.227 3.072 0 40 HGAB CNc1cc([C@H]2CCCN(Cc3cccc(C)c3OC)C2)nc(CN(C)C(C)=O)n1 72370151 DJFPTVFICHQILE-SFHVURJKSA-N 411.550 3.193 0 40 HGAB Cc1noc(C)c1[C@H](C)NC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 84023056 LMBCXAUKFZTNCG-JTQLQIEISA-N 406.489 3.040 0 40 HGAB COc1cc(Cl)c(C)cc1NC(=O)C(=O)N1CCO[C@H](c2ccc(F)cc2)C1 84077209 VJRQCHPETJVZSP-SFHVURJKSA-N 406.841 3.335 0 40 HGAB COc1ccc(C(=O)[C@@H]2CCCN2S(=O)(=O)c2c(Cl)nc3ccccn23)cc1 95443783 NMYUUHOYIMXVOX-HNNXBMFYSA-N 419.890 3.032 0 40 HGAB COc1cccc(-c2noc(SCC(=O)N(C)Cc3nccn3C(F)F)n2)c1 95468987 CKHHEZTXPHAJKU-UHFFFAOYSA-N 409.418 3.088 0 40 HGAB COCCCNC(=O)c1cccc(S(=O)(=O)N2C[C@]3(C)C[C@@H]2CC(C)(C)C3)c1 100533569 FMEMDTLASPXBPG-LAUBAEHRSA-N 408.564 3.042 0 40 HGAB COC(=O)C1=C(c2ccc(Cl)cc2)NC(=S)N[C@@H]1c1ccc(OC)c(OC)c1 105093871 ZTOLYPKEUBWVBT-GOSISDBHSA-N 418.902 3.460 0 40 HGAB CSc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(C)cc3)CC2)cc1 113956496 QHDCPRHXEUDBHO-UHFFFAOYSA-N 418.584 3.434 0 40 HGAB CS(=O)(=O)Nc1ccc(C(=O)NCC2(c3ccccc3)CCOCC2)c(Cl)c1 222537961 LIPUZWSXPYUCQY-UHFFFAOYSA-N 422.934 3.190 0 40 HGAB CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N[C@@H](C)c1ccccc1C 223235974 ZAIRTUJZCYNWRW-JXFKEZNVSA-N 404.532 3.426 0 40 HGAB Cc1ccc(C(=O)NCCOc2ccccc2C(C)(C)C)cc1NS(C)(=O)=O 223696190 HVPVIUCFBMGRSY-UHFFFAOYSA-N 404.532 3.473 0 40 HGAB Cc1ccc(OCCNC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2C)cc1C 224098391 YNDGOLLNWSKOGJ-UHFFFAOYSA-N 416.543 3.205 0 40 HGAB Cc1ccc(CSCCNC(=O)CN(Cc2ccc(C)cc2)S(C)(=O)=O)cc1 224199700 IJGWPGTYYGABJU-UHFFFAOYSA-N 420.600 3.115 0 40 HGAB CC(C)Oc1ccccc1NC(=O)[C@H](C)Oc1ccc(N(C)S(C)(=O)=O)cc1 225426823 CVFYWPTTWHLQRQ-HNNXBMFYSA-N 406.504 3.276 0 40 HGAB CC(C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCc1ccc2c(c1)OCCO2 225474165 MTSAWJADRDQBPE-SFHVURJKSA-N 410.514 3.332 0 40 HGAB CC[C@@H](NC(=O)CCc1cc(S(=O)(=O)N(C)C)ccc1OC)c1ccc(C)cc1 225676252 DKHCQZKFMCIVQL-HXUWFJFHSA-N 418.559 3.454 0 40 HGAB COC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)sc(=O)n3C(C)C)cc1 225703357 WBOSOROGSCFGJC-UHFFFAOYSA-N 406.485 3.231 0 40 HGAB CO[C@H](CNS(=O)(=O)c1ccc2c(c1)OCCCO2)c1cc2ccccc2o1 245039167 OIRGWKRSRVBWBY-HXUWFJFHSA-N 403.456 3.260 0 40 HGAB COc1ccc(C(=O)N2CCC[C@](COc3ccc(F)cc3)(CC(N)=O)C2)cc1 257229466 FYFWHUFWGCYEFZ-QFIPXVFZSA-N 400.450 3.011 0 40 HGAB CC(=O)N1CCC(Cc2ccc(F)cc2)(C(=O)N2CCCC[C@H]2c2cc[nH]n2)CC1 257318683 VOZOKWIEIWQYFE-NRFANRHFSA-N 412.509 3.474 0 40 HGAB Cc1nc([C@@H]2CCN(C(=O)C(C)C)C2)nc2c1CC(=O)N2CCCc1ccccc1 257323241 WJHNELNHVGOERD-LJQANCHMSA-N 406.530 3.279 0 40 HGAB COc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H](CC(C)C)c2ccccc2)cc1 260767410 NTEAJIHSPCJBOD-HXUWFJFHSA-N 404.532 3.219 0 40 HGAB Cc1ccc(N([C@@H](C)C(=O)NCCSCc2ccco2)S(C)(=O)=O)cc1C 408546627 GEQKDSQFHCTSFH-INIZCTEOSA-N 410.561 3.101 0 40 HGAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2cc(C)ccc2OC)cc1C 408626717 WBPOCRMMUVSGKE-OAHLLOKOSA-N 406.504 3.016 0 40 HGAB CC(=O)c1ccc(S(=O)(=O)NCCn2nc(C)c(-c3ccsc3)c2C)cc1 575615579 QWLLJLAOSXEIDB-UHFFFAOYSA-N 403.529 3.410 0 40 HGAB COC(=O)Nc1ccc(S(=O)(=O)N2CC[C@H](n3c(C)nc4ccccc43)C2)cc1 585149208 BRRHKGIEGCKNAB-INIZCTEOSA-N 414.487 3.159 0 40 HGAB 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Cc1cc(Cl)cc(NC(=O)COC(=O)c2ccc(NC(=O)CCC(=O)O)cc2)c1 13579064 XMGPHCUXWDJQQJ-UHFFFAOYSA-N 418.833 3.247 0 40 HGAB C[C@@H]1CC(=O)NN1CC(=O)Nc1cc(-c2ccc3c(c2)CCC3)nn1-c1ccccc1 14066202 DMSKZQFDJALRAX-MRXNPFEDSA-N 415.497 3.092 0 40 HGAB CC(C)CCC[C@H](C)NC(=O)[C@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1 14245418 VTZSELXEEVBOCE-IRXDYDNUSA-N 405.564 3.179 0 40 HGAB O=C(CN1CCN(C(=O)c2cccc3ncccc23)CC1)Nc1ccccc1Cl 14307019 YJOFGTUCDFNSSB-UHFFFAOYSA-N 408.889 3.285 0 40 HGAB CSCC[C@@H](NS(=O)(=O)c1cc(C)ccc1C)C(=O)NCc1ccc(F)cc1 16640582 DAKVUYYXCWMZJM-GOSISDBHSA-N 424.563 3.159 0 40 HGAB Cc1nc(CC(=O)N2CCC(c3nc(-c4ccsc4)cc(=O)[nH]3)CC2)cs1 19285557 IBMJKHCQYAFHAQ-UHFFFAOYSA-N 400.529 3.212 0 40 HGAB CC(C)N1CCc2nc3cc([C@H]4CCCN(C(=O)C5CCCC5)C4)nn3c(O)c2C1 19448075 PNBRZUJYFZQURQ-KRWDZBQOSA-N 411.550 3.098 0 40 HGAB COc1ccc(OC[C@@H](C)NC(=O)[C@H]2CCCN2c2ncnc3ccccc23)cc1 19456706 UZSWEDQTAPARKY-IIBYNOLFSA-N 406.486 3.191 0 40 HGAB COc1ccc([C@H]2c3nc[nH]c3CCN2C(=O)Cc2ccc3c(c2)C[C@@H](C)O3)cc1 19498099 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O=C(NC[C@H]1COc2ccccc2O1)c1ccc(=O)n(Cc2ccccc2Cl)c1 22836950 FWHFQVVLKPHLLS-KRWDZBQOSA-N 410.857 3.120 0 40 HGAB O=C(Nc1ccc2c(c1)OCCCO2)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 23039757 LOFUBFJPCWNJGZ-SFHVURJKSA-N 416.499 3.030 0 40 HGAB Cc1sc2ncn(CC(=O)N(C)Cc3ccccc3N3CCCC3)c(=O)c2c1C 24190833 AGSDNIRXDULMPB-UHFFFAOYSA-N 410.543 3.334 0 40 HGAB Cc1cccc(C)c1OCc1nnc(SCC(=O)N[C@@H](C)c2cccs2)n1N 24218014 YOWZSUIIKFOFOY-AWEZNQCLSA-N 417.560 3.219 0 40 HGAB CCc1ccc(S(=O)(=O)NC[C@H](c2ccccc2Cl)N2CCOCC2)cc1 24681534 PRUPOENLGGFLNN-HXUWFJFHSA-N 408.951 3.254 0 40 HGAB O=C(CN1CCN(C(=O)Cc2csc(-c3ccccc3)n2)CC1)Nc1ccccc1 27126685 JRNYAGYVBADQHC-UHFFFAOYSA-N 420.538 3.136 0 40 HGAB COC(=O)C[C@H](NC(=O)COc1ccc2c(c1)CCC(=O)N2)c1ccc(Cl)cc1 31052432 BERFIMOBXLCWRT-SFHVURJKSA-N 416.861 3.024 0 40 HGAB Cn1cc(C(=O)NCCNC(=O)c2ccc(Br)cc2)c2ccccc21 32074113 PMAHZJCTJQDQIH-UHFFFAOYSA-N 400.276 3.101 0 40 HGAB COc1ccc(CN2CCN(S(=O)(=O)C3=Cc4ccccc4CC3)CC2)cc1F 32724496 IOXFATIGLSEEST-UHFFFAOYSA-N 416.518 3.269 0 40 HGAB 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72345180 DRCOXCBQJVVJPU-UHFFFAOYSA-N 406.511 3.156 0 40 HGAB O=C(c1ccc2c(c1)OCCO2)N1CCC[C@H]1c1cccc(Nc2cnccn2)n1 72375171 SXMQGDIOJGZAKJ-KRWDZBQOSA-N 403.442 3.364 0 40 HGAB COC(=O)C[C@H]1CSCCN1CC(=O)Nc1cccc(Oc2ccccc2)c1 78969526 LZZAFNQLBTUZDB-KRWDZBQOSA-N 400.500 3.398 0 40 HGAB CCn1c(C)nnc1[S@@](=O)CCCc1nc(-c2cccc(C(F)(F)F)c2)no1 79000110 XZHWHSLYVCOIDU-MUUNZHRXSA-N 413.425 3.416 0 40 HGAB Cc1ccc(Cl)cc1S(=O)(=O)NCc1ccccc1CN1CCC(O)CC1 95462009 CTUDSMFXYRHWAV-UHFFFAOYSA-N 408.951 3.084 0 40 HGAB CN1[C@H]2CCN(Cc3ccc(Cl)cc3)CC[C@@H]2Oc2ccccc2S1(=O)=O 96145710 URYRJNXTDGKQRN-ROUUACIJSA-N 406.935 3.386 0 40 HGAB COc1nn(Cc2cc(O)n3ncc(-c4ccc(F)cc4)c3n2)c(=O)c2ccccc12 100223653 SRGSOOCAQHWPEY-UHFFFAOYSA-N 417.400 3.008 0 40 HGAB C[C@@H]1[C@@H](NC(=O)COC(=O)c2ccc(I)cc2)CCC[C@H]1C 108870342 AWURNTZRMJTBRE-XUJVJEKNSA-N 415.271 3.389 0 40 HGAB Cc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)cc2)cc1 136285917 JGCLHGCIEQDQOH-PMACEKPBSA-N 418.449 3.246 0 40 HGAB C[C@H](NS(=O)(=O)c1ccc(NC[C@H]2CCCO2)c(C(=O)O)c1)c1ccccc1 217611761 UNEIYYKGIRGHEZ-GOEBONIOSA-N 404.488 3.015 0 40 HGAB CCOc1ccc(-c2noc(CNS(=O)(=O)c3ccc(OCC)cc3)n2)cc1 223576153 LTHYZCUWUAKVLP-UHFFFAOYSA-N 403.460 3.013 0 40 HGAB COc1cccc(N(CCCC(=O)NC[C@@H](C)c2ccccc2)S(C)(=O)=O)c1 224691059 HXYPPCLTALOHAB-QGZVFWFLSA-N 404.532 3.161 0 40 HGAB CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(Cl)c(Cl)c2)cc1 224901618 NKOWMRYORUZADQ-UHFFFAOYSA-N 417.270 3.232 0 40 HGAB O=C(c1cccc(Cl)c1)N1CCC(Cc2n[nH]c(=O)n2-c2ccccc2F)CC1 225543781 IHNRAGQFUQNMRZ-UHFFFAOYSA-N 414.868 3.448 0 40 HGAB COc1ccc([C@@H](CC(=O)N[C@@H](C)c2ccc(Cl)cc2)NS(C)(=O)=O)cc1 225954189 NRHGYKFWSBQGAZ-SCLBCKFNSA-N 410.923 3.206 0 40 HGAB CCC[C@]1(C(=O)OCC)N[C@H](c2cccs2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 245230594 VBMTZEQWPXOMBR-AYMMHLMVSA-N 412.511 3.300 0 40 HGAB CCNC(=O)C(=O)Nn1c(C(=O)Nc2ccc(Cl)cc2)cc2cc(Cl)ccc21 408608089 OLHIMYQEYFDJLI-UHFFFAOYSA-N 419.268 3.407 0 40 HGAB Cc1ccc(-n2cccc2/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc1 409210602 LRWZDOFXDSNUCG-DEDYPNTBSA-N 418.428 3.456 0 40 HGAB Cc1nc([C@@H]2CCN(C(=O)[C@@H]3C[C@@H]3C)C2)nc(C)c1CC(=O)NCc1ccc(F)cc1 409412793 GBHNUORYHYUXSK-BOUXLOLZSA-N 424.520 3.063 0 40 HGAB Cc1cc(C)cc([C@H]2CCN(C(=O)Nc3cc(C)nn3[C@H]3CCS(=O)(=O)C3)C2)c1 558244165 LMQWVINRCGZIOV-HKUYNNGSSA-N 416.547 3.189 0 40 HGAB O=S1(=O)C[C@@H](O)[C@H](N(c2cccc(O)c2)C(c2ccccc2)c2ccccc2)C1 575420431 HWPQRKUIYCVVNU-FGZHOGPDSA-N 409.507 3.146 0 40 HGAB COc1cc(C(=O)N2CCC[C@H](Oc3ccncc3Cl)C2)cc(OC)c1OC 575611962 HPCPWJCCALIGDM-AWEZNQCLSA-N 406.866 3.444 0 40 HGAB CCOC1(c2nc([C@H]3CCCO3)no2)CCN(Cc2cn3c(C)cccc3n2)CC1 583615855 DRBRHEPHDBZPEM-GOSISDBHSA-N 411.506 3.405 0 40 HGAB O=C(c1cc2cc(F)ccc2[nH]1)N1CCC[C@@](O)(CN2CCC(F)(F)CC2)CC1 585183670 ZCSWSOBMHIZHLA-FQEVSTJZSA-N 409.452 3.395 0 40 HGAB Cc1csc(Nc2cc([C@@H]3CCN(C(=O)/C=C/c4ccnn4C)C3)nc(C)n2)n1 585292381 LOCVFLBFYFVLQQ-MBVDDHJVSA-N 409.519 3.056 0 40 HGAB CN(C)c1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc2nc(O)oc2c1 643247435 WNPPONMBKVEGTG-UHFFFAOYSA-N 401.366 3.419 0 40 HGAB O=C(NCCc1ccccc1)N1CCC(Oc2ncc(Br)cn2)CC1 1184930416 DGWHBIFCXHPORC-UHFFFAOYSA-N 405.296 3.035 0 40 HGAB O=S(=O)(NC[C@@H](O)c1ccc(-c2cccs2)cc1)c1ccc2c(c1)CCO2 1775977706 KLOMHXVEHLFPTH-GOSISDBHSA-N 401.509 3.362 0 40 HGAB Cc1ccc(S(=O)(=O)N(CC(=O)N2CCCCC2)Cc2ccccc2F)cc1 780787 OTURKDLAADPLMA-UHFFFAOYSA-N 404.507 3.338 0 40 HGAB Cc1ccc(C(=O)Oc2ccc3c(c2)OCO3)cc1S(=O)(=O)N1CCC(C)CC1 1067358 ADAKMEROGQMZKM-UHFFFAOYSA-N 417.483 3.364 0 40 HGAB C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)Nc3ccc4c(c3)CCC4)c2)C[C@H](C)O1 2630711 HSSCKQBGRXUAKW-HOTGVXAUSA-N 414.527 3.226 0 40 HGAB CCSc1nnc(NC(=O)[C@]2(C)CC2(Br)Br)s1 2770700 JRBPFDGWHWGXNJ-QMMMGPOBSA-N 401.149 3.485 0 40 HGAB COc1ccc([C@@]2(C)NC(=O)N(CCOc3ccc(Br)cc3)C2=O)cc1 3302994 XEAQNQFJNGJAMO-LJQANCHMSA-N 419.275 3.304 0 40 HGAB C[C@H]1CCc2c(sc3ncnc(NCCc4ccc(S(N)(=O)=O)cc4)c23)C1 3453476 XRAZRTDVSLDPPK-LBPRGKRZSA-N 402.545 3.118 0 40 HGAB O=C(Cc1ccc(F)cc1)Nc1nnc(SCC(=O)N2CCCCCC2)s1 4087954 MJAIWPMKIQYVIX-UHFFFAOYSA-N 408.524 3.353 0 40 HGAB COCCNC(=S)N(Cc1cc2cc(OC)ccc2[nH]c1=O)C1CCCCC1 4133259 FVLOKUFRNUCDMD-UHFFFAOYSA-N 403.548 3.192 0 40 HGAB Cn1c(=O)c2c(SCc3cccc4ccccc34)nc(C3CC3)nc2n(C)c1=O 4139085 HXYJJNIXYWCPBC-UHFFFAOYSA-N 404.495 3.350 0 40 HGAB CCCCN(C)S(=O)(=O)c1ccc(C(=O)Nc2sccc2C(=O)OC)cc1 4275689 CDRPETXIAZPRFR-UHFFFAOYSA-N 410.517 3.208 0 40 HGAB CCOC(=O)c1sc(NC(=O)CSc2nc(C)c(CCSC)[nH]2)nc1C 4632348 RVWLZJMDKXIRRV-UHFFFAOYSA-N 414.578 3.296 0 40 HGAB C[C@@H](Sc1nnc(-c2cccc(F)c2)n1N)C(=O)N[C@@H]1CCCc2ccccc21 4876724 OVXOMOWHRKDCKF-FZKQIMNGSA-N 411.506 3.472 0 40 HGAB CC[C@@H]1CCCCN1C(=O)Cn1c(=O)n(-c2ccc(C)cc2)c(=O)c2ccccc21 4904899 FYKGBJAAPKPHLR-GOSISDBHSA-N 405.498 3.252 0 40 HGAB CC(C)C(=O)N[C@@H](NC(=S)Nc1ccc(Cl)cn1)C(Cl)(Cl)Cl 5165654 NUYVCYULKBUANS-JTQLQIEISA-N 404.150 3.490 0 40 HGAB CCOC(=O)N1CCc2c(sc(NC(=O)c3cccc(SC)c3)c2C(N)=O)C1 5222635 JGELFZWUAHFLPM-UHFFFAOYSA-N 419.528 3.336 0 40 HGAB COc1ccc(NC(=O)CCc2ccccc2)cc1S(=O)(=O)N1CCCCC1 5578734 HZGLYYYYHJHRIV-UHFFFAOYSA-N 402.516 3.441 0 40 HGAB Cc1ccc(NC(=O)c2ccc(OC(F)(F)F)cc2)cc1S(=O)(=O)N(C)C 6301622 QMRGMULCTHLSCL-UHFFFAOYSA-N 402.394 3.396 0 40 HGAB CSc1ccccc1NC(=O)CN(C)CC(=O)Nc1ccc2c(c1)OCCCO2 7977575 BPQVEZDZGUZKGN-UHFFFAOYSA-N 415.515 3.079 0 40 HGAB Cc1ccc(C)c(N2N=C(C(=O)N[C@@H](C)c3ccc4c(c3)OCCO4)CCC2=O)c1 8072947 VXNPJXMLGHIOEK-INIZCTEOSA-N 407.470 3.435 0 40 HGAB COc1ccc(-c2nc(CC(=O)NCC(=O)Nc3ccc(F)c(F)c3)cs2)cc1 8734188 FWMQJDWNUGTHTL-UHFFFAOYSA-N 417.437 3.394 0 40 HGAB COc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc1 8844937 ONKYZKQNQSRSQI-IBGZPJMESA-N 422.268 3.408 0 40 HGAB Cc1cc(C(=O)COc2ccc(CCO)cc2-n2nc3ccccc3n2)c(C)n1C 9114576 NJMUZHUKSFHULS-UHFFFAOYSA-N 404.470 3.172 0 40 HGAB O=C(CSc1nc(O)cc(=O)n1C1CCCC1)NC12CC3CC(CC(C3)C1)C2 9128133 SHFFPXGGXCAPKG-UHFFFAOYSA-N 403.548 3.241 0 40 HGAB COc1ccc(CN(C)C(=O)[C@@H](C)N(c2cc(C)ccc2C)S(C)(=O)=O)cc1 10357302 WHYOCWVLWVDKME-QGZVFWFLSA-N 404.532 3.125 0 40 HGAB COC(=O)c1ccc(NC(=O)CCCN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 10433954 LCIOVBFPSOUPRK-UHFFFAOYSA-N 418.515 3.275 0 40 HGAB CSCc1nc2ccccc2n1CC(=O)N1CCC(NC(=O)c2ccccc2)CC1 10556489 NNQPLNRVCNSZIC-UHFFFAOYSA-N 422.554 3.320 0 40 HGAB COc1cc(C(=O)/N=c2\sc3c(C)ccc(OC)c3n2C)cc(OC)c1OC 12514641 YECYBFZGIGRHBT-MRCUWXFGSA-N 402.472 3.324 0 40 HGAB CCCCCSc1nc2c(c(=O)n(C)c(=O)n2C)n1CCCc1ccccc1 12550321 PDLUOVIJVXHIFG-UHFFFAOYSA-N 400.548 3.349 0 40 HGAB CS(=O)(=O)c1cc(C(=O)NCc2ccc(CN3CCCC3)cc2)ccc1Cl 12849927 ZMXOIHYTEUPLQC-UHFFFAOYSA-N 406.935 3.269 0 40 HGAB C[C@H](NC(=O)CNC(=O)c1ccc(Cl)cc1Cl)c1ccc2c(c1)OCCO2 12995692 XQMKHFMFMGLQND-NSHDSACASA-N 409.269 3.372 0 40 HGAB COc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(SC)cc3)C2)cc1NC(C)=O 13015002 GGZQAPIGVFEDDN-AWEZNQCLSA-N 413.499 3.367 0 40 HGAB CCCCn1c(=O)[nH]c(=O)c2c1nc(-c1ccc(OCCC)c(OCC)c1)n2C 13136918 FXMZUPGMZXZSSE-UHFFFAOYSA-N 400.479 3.078 0 40 HGAB COCc1nn2c3c(nnc2c1-c1ccc(OC)cc1)C(=O)C[C@H](c1ccco1)C3 13639443 KUAXIKOQKUANHZ-CQSZACIVSA-N 404.426 3.452 0 40 HGAB COc1cc(-c2nc(CC(=O)N=c3[nH]c4ccccc4[nH]3)cs2)cc(OC)c1OC 13733135 VIPFBOHSOGEAEU-UHFFFAOYSA-N 424.482 3.315 0 40 HGAB CN(C)S(=O)(=O)N(CC(=O)NC(c1ccccc1)c1ccccc1)c1ccccc1 13856367 MYTYZAOMHSLEAU-UHFFFAOYSA-N 423.538 3.205 0 40 HGAB CCn1c(CC(=O)Nc2cccc(C)c2)nnc1S[C@@H](C)C(=O)NC1CCCC1 13956596 OBVRRYJBSWOCIP-HNNXBMFYSA-N 415.563 3.327 0 40 HGAB Cc1nn(Cc2ccccc2)c2sc(C(=O)N(C)CC(=O)NCc3ccco3)cc12 14201633 GEXNQTNKPFHALH-UHFFFAOYSA-N 422.510 3.436 0 40 HGAB CN(Cc1ccc(Cl)s1)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 14232268 HXNURVAABKPRMN-UHFFFAOYSA-N 407.344 3.334 0 40 HGAB CCCS(=O)(=O)N1CCCc2ccc(NC(=O)c3ccc4c(c3)OCO4)cc21 16837574 JWRUBDPRMKUAGR-UHFFFAOYSA-N 402.472 3.160 0 40 HGAB CN1CCN(c2ccc(NC(=S)NC(=O)c3ccc(F)cc3)cc2Cl)CC1 17087573 MTVQEQSNBFYLQM-UHFFFAOYSA-N 406.914 3.358 0 40 HGAB CCCS(=O)(=O)N1CCCc2ccc(NC(=O)c3cc(OC)cc(OC)c3)cc21 17286556 OLLRAJOJAAUVFT-UHFFFAOYSA-N 418.515 3.449 0 40 HGAB O=C(NCCSCc1ccccc1)C1CCN(S(=O)(=O)c2cccs2)CC1 18150106 QVJKGVPPFGZIRN-UHFFFAOYSA-N 424.613 3.198 0 40 HGAB COc1cc(OC)c2cc(C(=O)N3CCCN(Cc4cccc(C)n4)CC3)[nH]c2c1 19236279 IQSZTJKYAJSLAP-UHFFFAOYSA-N 408.502 3.237 0 40 HGAB O=C(CCn1c(=O)oc2cc(Cl)ccc21)NCCCc1nc2cc(F)ccc2[nH]1 19346130 KJMQKPDHFBCNOF-UHFFFAOYSA-N 416.840 3.402 0 40 HGAB CCOc1ccccc1C(=O)N1CCCC[C@H]2CN(C(=O)C[C@@H]3CCCO3)C[C@H]21 19520093 FQACXSLLSIORGG-CMKODMSKSA-N 400.519 3.108 0 40 HGAB Cc1noc2nc([C@@H]3CCCN(C(=O)[C@H](C)N4CCCC4=O)C3)cc(C(F)(F)F)c12 19563736 XNKLMBMGBSVXPZ-QWHCGFSZSA-N 424.423 3.267 0 40 HGAB CNC(=O)[C@]1(Cc2cccc(-c3cccs3)c2)CCCN(C(=O)CCOC)C1 19591083 SKBXLSHPLJCXPY-QFIPXVFZSA-N 400.544 3.349 0 40 HGAB Cc1nc([C@H]2CCCCN2Cc2cnn(C)c2C)nc2c1CCC(=O)N2CC(C)C 19740844 OQSAWCXMRYQWFT-HXUWFJFHSA-N 410.566 3.489 0 40 HGAB COc1ccc(NC(=O)c2cnc([C@@H]3CCN(Cc4ccccn4)C3)nc2C)cc1 19753822 GJRZRPRTPSKUHN-QGZVFWFLSA-N 403.486 3.430 0 40 HGAB O=C(c1ccc(Br)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 19913953 AFDYLRLKLZXSPM-UHFFFAOYSA-N 403.276 3.136 0 40 HGAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2ccc(F)c(F)c2)cc1C 20015658 CXCOHDSTJBDRIH-UHFFFAOYSA-N 412.458 3.321 0 40 HGAB CC(C)Sc1nc(N2CCN(CCO)CC2)c2sc3c(c2n1)COC(C)(C)C3 20591312 MCOFQWYAQMHBMP-UHFFFAOYSA-N 422.620 3.157 0 40 HGAB CC(C)(C)[C@@H]1CCc2sc(C(=O)N3CCN(CC(=O)N4CCCC4)CC3)cc2C1 21557557 YJGYXOMCACCNNJ-GOSISDBHSA-N 417.619 3.279 0 40 HGAB CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(OCC(=O)N2CCCC2)cc1 22232260 QUBVAXCKLHYIFW-UHFFFAOYSA-N 422.934 3.307 0 40 HGAB CCOc1cccc(N(CC(=O)N[C@@H](C)c2ccc(C)cc2C)S(C)(=O)=O)c1 22397931 PQSUQDOWLACJTQ-KRWDZBQOSA-N 404.532 3.346 0 40 HGAB O=S(=O)(NC[C@@H](c1ccco1)N1CCc2ccccc2C1)c1ccc(F)cc1 22907144 SPDVSBUQMHDIQS-FQEVSTJZSA-N 400.475 3.497 0 40 HGAB O=C(c1ccc(F)cc1Br)N1CCN(Cc2ccc3c(c2)CCO3)CC1 24302507 ZSDJELWPSXBIKB-UHFFFAOYSA-N 419.294 3.481 0 40 HGAB O=C(c1ccc2c3c(cccc13)CC2)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 25345725 NQVSHEZWAMSNKU-UHFFFAOYSA-N 420.534 3.226 0 40 HGAB CCc1ccc2oc(C(=O)NC[C@H](c3cccs3)N3CCOCC3)cc(=O)c2c1 28289726 GWTALZCBKVHKNE-QGZVFWFLSA-N 412.511 3.220 0 40 HGAB COc1cccc(C(=O)N2CCN(C(=O)CCSCc3csc(C)n3)CC2)c1 30230429 OTOQWOLNWFPKMG-UHFFFAOYSA-N 419.572 3.068 0 40 HGAB O=C(NC(=S)N1CCN(C/C=C/c2ccccc2)CC1)c1c(F)cccc1F 33294555 IQJBZWPBLGXOKZ-VMPITWQZSA-N 401.482 3.311 0 40 HGAB Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)N(C)Cc1nc2ccccc2c(=O)[nH]1 40143774 JDCBIUVKQKAKAX-UHFFFAOYSA-N 419.460 3.066 0 40 HGAB CCCC(=O)Nc1nc2ccc(NC(=O)Cn3ncc4ccccc4c3=O)cc2s1 40146212 NZBCSIZRWMIWQR-UHFFFAOYSA-N 421.482 3.384 0 40 HGAB Cc1cc(C(=O)N2CCN(C(=O)Nc3cccc(Oc4ncccn4)c3)CC2)c(C)o1 48274046 FYPNYMQLNPWUPH-UHFFFAOYSA-N 421.457 3.469 0 40 HGAB CN(C[C@@H]1COc2ccccc2O1)C(=O)Cc1cc(Cl)c2c(c1)OCCCO2 48325932 GDNGNTKTGJLGLC-OAHLLOKOSA-N 403.862 3.342 0 40 HGAB O=C(C[C@H]1Sc2ccccc2NC1=O)Nc1cccnc1N1CCSCC1 52078576 CPJDMXUMSAOMGK-MRXNPFEDSA-N 400.529 3.076 0 40 HGAB O=C(NC[C@@H](c1cccs1)N1CCCC1)Nc1cccc(Cn2cccnc2=O)c1 57997476 LUOXQBIVETZRHH-IBGZPJMESA-N 423.542 3.312 0 40 HGAB C[C@@H](SCc1ccccc1)C(=O)N1CCN(c2ncc(Br)cn2)CC1 58045356 SZBLUFYVDGODHR-CQSZACIVSA-N 421.364 3.210 0 40 HGAB CCOC(=O)CCN(CC(=O)Nc1sc2c(c1C(=O)OC)CCCC2)CC1CC1 58134352 QSKJHWCDQABUMG-UHFFFAOYSA-N 422.547 3.017 0 40 HGAB COc1ccccc1NC(=O)Cn1cc(-c2ccccc2C)c(N2CCOCC2)n1 62006927 AFRBVQYQRMRXBM-UHFFFAOYSA-N 406.486 3.342 0 40 HGAB CC[C@H](C)NC(=O)Cn1c(=O)cc(-c2nc(-c3ccccn3)no2)c2ccccc21 67318594 DHOPVODJTWXBEH-AWEZNQCLSA-N 403.442 3.028 0 40 HGAB CCCN1CCN(C(=O)c2cnccn2)[C@H](Cc2ccc(-c3ccccc3)cc2)C1=O 72351403 SIBJEJGJQVGSMB-HSZRJFAPSA-N 414.509 3.449 0 40 HGAB CN1C(=O)c2ccccc2C(=O)[C@@]2(C)CN(Cc3c[nH]nc3-c3ccccc3)C[C@@H]12 72395832 VXRMPYYODADQQD-YKSBVNFPSA-N 400.482 3.236 0 40 HGAB CC(C)(C)C(=O)Cn1cc(C(=O)Nc2nc3ccccc3n2-c2ccccc2)nn1 78964624 QOHLKZFQUYEQKM-UHFFFAOYSA-N 402.458 3.485 0 40 HGAB C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(Cc2nc3ccc(Cl)cc3c(=O)[nH]2)C1 95995446 BGEWOMDKKDSXRI-QWHCGFSZSA-N 406.914 3.312 0 40 HGAB CN1CC(=O)N(c2cccc(F)c2)C[C@@]12CCN(C(=O)c1cccc(Cl)c1)C2 96050265 KGJYBDRJDDWZAG-NRFANRHFSA-N 401.869 3.042 0 40 HGAB Cc1ccc(C(=O)N2CCC3(CC2)C[C@H](CC(=O)NCCN(C)C)c2ccccc23)o1 96052901 XAZDCJSDSZCGMP-IBGZPJMESA-N 423.557 3.317 0 40 HGAB COC(=O)Nc1ccc(S(=O)(=O)NCc2ccc(C(=O)c3ccco3)s2)cc1 96119905 BQNDRFSRQFGLCZ-UHFFFAOYSA-N 420.468 3.229 0 40 HGAB COc1ccc(-n2nc3ccc4c(c3n2)[C@H](c2ccc[nH]c2=O)CC(=O)N4)cc1Cl 96223074 IHKGDRSFHSKCBN-ZDUSSCGKSA-N 421.844 3.245 0 40 HGAB CO[C@H]1CC[C@H](C(=O)N2CCC(Cn3nc(-c4cccs4)ccc3=O)CC2)CC1 100134569 MRFDSRBXTUZMFS-HDICACEKSA-N 415.559 3.416 0 40 HGAB CCc1ccc(N2CCN(S(=O)(=O)C[C@@]34CC[C@H](CC3=O)C4(C)C)CC2)cc1 100194166 UTHJNXUAYHPAKD-GCJKJVERSA-N 404.576 3.096 0 40 HGAB C[C@@H]1Oc2ccccc2C=C1/C=C(\NC(=O)c1ccccc1)C(=O)N1CCOCC1 100862667 LBBFHKLXBQXQFJ-TYYMKKSVSA-N 404.466 3.024 0 40 HGAB CN(CC(=O)Nc1ccccc1C(F)(F)F)[C@H]1CC(=O)N(c2ccc(F)cc2)C1=O 103022583 JHEPXIHEAHLNOP-INIZCTEOSA-N 423.366 3.047 0 40 HGAB CCCCOCCOCCO[C@@H]1[C@@H]2[C@H]3C[C@@H]1C[C@@]23OCCOCCOCCCC 104205562 BEKMSUFDXFEFDV-VROINQGHSA-N 414.583 3.463 0 40 HGAB COc1ccc(NC(=O)[C@H](C)N(c2ccccc2F)S(C)(=O)=O)cc1Cl 220300781 YRKYFDAEIOANOS-NSHDSACASA-N 400.859 3.281 0 40 HGAB C[C@@H](Oc1cccc2c1CCCC2)C(=O)Nc1cccc(N(C)S(C)(=O)=O)c1 222636976 DAOKSDGNUVGWIM-OAHLLOKOSA-N 402.516 3.367 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N(C)Cc2ccccc2F)c(C)c1 222816338 WVPGALDJSWJZPU-UHFFFAOYSA-N 422.522 3.202 0 40 HGAB COc1ccc(N(C)C(=O)CCc2ccc(S(=O)(=O)NC(C)(C)C)cc2)cc1 222869732 LRUQPENODXSKPS-UHFFFAOYSA-N 404.532 3.368 0 40 HGAB CCOCCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)Cc1ccccc1 222990581 JPNIEVABCQUAJC-LJQANCHMSA-N 412.530 3.198 0 40 HGAB CC(C)c1ccc(N(CC(=O)NCCOc2ccccc2Cl)S(C)(=O)=O)cc1 223632203 KCDLTWDZFDSSNM-UHFFFAOYSA-N 424.950 3.425 0 40 HGAB COc1ccc(S(=O)(=O)NCc2cc(OC)c(OC)c(OC)c2)cc1C(C)C 223703019 ULABMNKMUGAIBJ-UHFFFAOYSA-N 409.504 3.323 0 40 HGAB Cc1cccc(OCCNC(=O)[C@@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)c1C 223919957 CENVJGPRMKLHBC-MRXNPFEDSA-N 424.950 3.307 0 40 HGAB CCCn1c(=O)sc2cc(S(=O)(=O)N(C)Cc3ccccc3OC)ccc21 225730043 PNPZIJOVDPKYHB-UHFFFAOYSA-N 406.529 3.302 0 40 HGAB COc1ccc(CCC(=O)NCc2cccnc2-c2ccncc2)c(OC)c1OC 225749108 FRYWWZBBIRVHAJ-UHFFFAOYSA-N 407.470 3.418 0 40 HGAB C[C@@H]1CCc2c(sc(NC(=O)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C(=O)O)c2C(=O)NC2CC2)C1 225764661 NMGHWFRUXCRMIJ-ZSSYSCPNSA-N 414.527 3.227 0 40 HGAB CC(C)Sc1nnc(NC(=O)CCCN(C)S(=O)(=O)c2ccccc2)s1 225837449 UMTFHIGHRGWROL-UHFFFAOYSA-N 414.578 3.078 0 40 HGAB Cn1cc(-c2ccnc(NCc3cccnc3)c2)c([C@H]2CCN(C(=O)C3CC3)C2)n1 257286617 PMFXOWNJOJZAME-IBGZPJMESA-N 402.502 3.215 0 40 HGAB COCC(=O)N[C@H]1CCCC[C@]12CN(Cc1cccc(-c3ccncc3)c1)CCO2 306125309 CMFDUUOJNKVWAL-UPVQGACJSA-N 409.530 3.025 0 40 HGAB CC[C@@H](C)CNC(=O)c1nc(-c2ccnn2-c2cccc(OC)c2)n2ccncc12 306137171 QNMAEJDZXQDQDC-OAHLLOKOSA-N 404.474 3.367 0 40 HGAB CCCNC(=O)CN(c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)S(C)(=O)=O 408547535 ZJXQDIWYLOKTRS-UHFFFAOYSA-N 404.576 3.447 0 40 HGAB CCCCCNC(=O)C1CCN(S(=O)(=O)c2ccc(OCC)c(Cl)c2)CC1 408584613 RZECUMDTYBALMK-UHFFFAOYSA-N 416.971 3.446 0 40 HGAB Cc1ccc(Cl)cc1NC(=O)[C@H](C)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 408704514 OTVYHUOFTCHLDP-ZDUSSCGKSA-N 424.906 3.213 0 40 HGAB COc1cc([C@H]2NC(SCC(N)=O)=NC(C)=C2C(=O)Nc2ccccc2)ccc1C 408992967 VHIWDVWLNWRRNJ-HXUWFJFHSA-N 424.526 3.135 0 40 HGAB Cc1ccc([C@H]2[C@H](NC(=O)c3cccc(C)c3)C(=O)N/[N+]2=C\c2ccc(F)cc2)cc1 409054424 JQDSPQFWAFFPEG-WAUWHALJSA-O 416.476 3.459 0 40 HGAB Cc1cc(C)cc(S(=O)(=O)N2CC3(C[C@@H](OCc4ccncc4)CS3)C2)c1 575405042 QUGHKXBRPKYWMM-GOSISDBHSA-N 404.557 3.164 0 40 HGAB CCCN1CCN(C(=O)CCN)C[C@@H](Cc2cccc(-c3ccccc3F)c2)C1=O 585183557 ADBNMFYTKSBMOE-HXUWFJFHSA-N 411.521 3.081 0 40 HGAB CC(C)C[C@H]1COc2ccccc2C(=O)N(C)CCCCN1C(=O)c1cn(C)cn1 643564077 DTTLJJTUBZYGPL-SFHVURJKSA-N 412.534 3.222 0 40 HGAB Cc1ccn(CCC(=O)N2CCC[C@@H]3NC(=O)c4ccccc4OCCC=CC[C@@H]32)n1 1615526387 XUIZLEXQSVVHIS-SFTDATJTSA-N 422.529 3.100 0 40 HGAB Cc1cccc(O[C@H](C)C(=O)N2CCC(c3nnc4ccc(C5CC5)nn34)CC2)c1 1888913101 INNOCZZQOUHDJP-MRXNPFEDSA-N 405.502 3.484 0 40 HGAB CC1(C)Oc2ccc(C(=O)N3CCCCC3)cc2N(CC(=O)Nc2ccccc2)C1=O 1355279 KWCQWUGJSACZSN-UHFFFAOYSA-N 421.497 3.455 0 40 HGAB CC(=O)c1ccc(NC(=S)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 3274779 MAEVUCPTTYCFNR-UHFFFAOYSA-N 403.529 3.483 0 40 HGAB O=C(COC(=O)c1cccnc1Nc1ccccc1F)NCc1ccc2c(c1)OCO2 3426765 NMKCUUJJRLNTPS-UHFFFAOYSA-N 423.400 3.166 0 40 HGAB O=C(COC(=O)c1cccc(N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@@H]3C2=O)c1)c1ccccc1 4157378 GFAYCKKQCVIIGB-GQSCTRQFSA-N 403.434 3.262 0 40 HGAB O=C(COc1ccc(Cl)cc1Cl)N(Cc1ccco1)[C@H]1CCS(=O)(=O)C1 4302094 RRJHHRKRWDEWLX-ZDUSSCGKSA-N 418.298 3.181 0 40 HGAB CCOc1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(OCC)cc2)cc1 4938387 SLOWLCJWRBBTHL-FQEVSTJZSA-N 418.515 3.276 0 40 HGAB CCCC(=O)N(c1ccc(OCC)cc1)S(=O)(=O)c1ccc2c(c1)oc(=O)n2C 5015556 AKLRVTSCYOPFEQ-UHFFFAOYSA-N 418.471 3.052 0 40 HGAB Cc1onc(-c2ccccc2)c1C(=O)OCC(=O)Nc1ccccc1C(=O)NC1CC1 5244623 KYQZCRVKZATMTI-UHFFFAOYSA-N 419.437 3.338 0 40 HGAB CCOC(=O)c1c(C)[nH]c(C(=O)O[C@@H](C)C(=O)Nc2ccc(C(C)=O)cc2)c1C 5326257 NYWHBELWRKWJJO-AWEZNQCLSA-N 400.431 3.195 0 40 HGAB Cc1ccc(SCCC(=O)OCC(=O)Nc2sc3c(c2C(N)=O)CCC3)cc1 5937790 HLGXVSYTMDHZSF-UHFFFAOYSA-N 418.540 3.308 0 40 HGAB CCC(=O)Nc1ccc(C(=O)Cn2cnc3ccc(Br)cc3c2=O)cc1 6112361 QRCYUEHTMSWVLW-UHFFFAOYSA-N 414.259 3.390 0 40 HGAB C[C@H](Oc1ccc(F)cc1)c1nnc(SCC(=O)NC(=O)NC2CCCC2)o1 6374593 BUYHJFHZRSQMBC-NSHDSACASA-N 408.455 3.209 0 40 HGAB CCOc1cc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCOC)ccc1O 6752806 NRVKUKOIYNYDPO-OAQYLSRUSA-N 409.442 3.078 0 40 HGAB C[C@@H](Nc1ccc2c(c1)CCC2)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 7242330 UUMWVHGTXFPQRP-MRXNPFEDSA-N 413.543 3.399 0 40 HGAB COc1ccc(C)cc1NS(=O)(=O)c1ccc(OC)c(C(=O)N2CCCC2)c1 7361343 DHDUSNFLLYINRI-UHFFFAOYSA-N 404.488 3.049 0 40 HGAB CN(C)[C@H](CNC(=O)CCCN1C(=O)c2ccccc2C1=O)c1ccccc1Cl 7797976 GYAFSFYQZSTHCZ-LJQANCHMSA-N 413.905 3.135 0 40 HGAB COc1cn(-c2ccccc2)nc1C(=O)O[C@H](C)C(=O)c1[nH]c(C)c(C(C)=O)c1C 7855272 NKWXOPPPFYOIIN-OAHLLOKOSA-N 409.442 3.457 0 40 HGAB Cc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C2)cc1 7940063 FBQUJQMNSPBZED-HNNXBMFYSA-N 400.862 3.492 0 40 HGAB O=C(CN1C(=O)NC2(CCCC2)C1=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1 9204063 KHDKIXWRLPDGME-UHFFFAOYSA-N 424.423 3.109 0 40 HGAB COc1ccc(NC(=O)CSc2ncnc3c2nnn3Cc2ccc(F)cc2)cc1 11758480 YDNCBEPTRAEMEB-UHFFFAOYSA-N 424.461 3.148 0 40 HGAB COc1ccccc1CC(=O)N1CCC[C@H]1Cn1nc(-c2ccc(F)cc2)ccc1=O 12182260 LYGMMAWRSLKKRD-FQEVSTJZSA-N 421.472 3.292 0 40 HGAB CCc1nc2ccccc2c(=O)n1CC1(O)CCN(C(=O)CCC2CCCC2)CC1 12187194 DOJUKFPIUVNAEN-UHFFFAOYSA-N 411.546 3.283 0 40 HGAB COc1cccc(O[C@H](C)C(=O)N2CCC[C@H](c3noc(-c4cnc(C)cn4)n3)C2)c1 12187753 UXHZWEDKIQCYSB-CVEARBPZSA-N 423.473 3.017 0 40 HGAB COc1ccc2c(c1)s/c(=N/C(=O)CCS(=O)(=O)c1ccc(Cl)cc1)n2C 12237957 WYZVJHKTYHHMLD-CZIZESTLSA-N 424.931 3.193 0 40 HGAB CSCC[C@H](NS(=O)(=O)c1cc(C)ccc1C)C(=O)Nc1cccc(F)c1 12778570 NADOWTKSFTVYTI-KRWDZBQOSA-N 410.536 3.481 0 40 HGAB COc1ccc(OCCC(=O)N[C@H](CCSC)c2nnc3ccccn23)cc1 12791109 HHZMDCRBOPESOM-QGZVFWFLSA-N 400.504 3.117 0 40 HGAB CCc1ccc([C@@H](C)NC(=O)CN2CCN(c3cc(C)nc(C(C)C)n3)CC2)cc1 12792169 XRVXSSOHUAXTRD-LJQANCHMSA-N 409.578 3.470 0 40 HGAB COc1ccc2cc(CN(C)c3ccc(N4CCN(C)CC4)cc3C)c(=O)[nH]c2c1 13565498 BQCLVJYYENVVRJ-UHFFFAOYSA-N 406.530 3.233 0 40 HGAB COc1ccc(C(=O)O)cc1NC(=O)/C(=C/c1cccnc1)NC(=O)c1ccccc1 13575860 VGLOWHSDOHWDFR-UNOMPAQXSA-N 417.421 3.198 0 40 HGAB CC1=C2C[C@@H]3[C@H](C[C@@]2(C)CCC1)OC(=O)[C@@H]3CN1CCN(C(=O)c2ccco2)CC1 16040327 UFAAOAUAAMIQQW-OPNQQPSUSA-N 412.530 3.496 0 40 HGAB biogenic COc1cc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCCN(C)C)ccc1O 16752090 IYEDMHPOLNRHJP-OAQYLSRUSA-N 422.481 3.313 0 40 HGAB Cc1nn(-c2nc(C)c(C)c(=O)[nH]2)c(C)c1CCC(=O)N[C@H](C)CCc1ccccc1 16981079 KEIMUSHWWJYCAI-OAHLLOKOSA-N 421.545 3.259 0 40 HGAB O=C(Cn1cc(C(=O)NC2(c3ccccc3)CCCC2)ccc1=O)Nc1nccs1 19749353 OUSSWDFWLXGLBW-UHFFFAOYSA-N 422.510 3.143 0 40 HGAB Cc1ccc(N2C(=O)/C(=C/NCCCN3CCOCC3)c3ccccc3C2=O)cc1C 19881308 UTMCCGOUCKJNQE-HAVVHWLPSA-N 419.525 3.143 0 40 HGAB CC(=O)c1ccc(NC(=O)Cn2c(=O)c(N3CCCCC3)nc3ccccc32)cc1 21657623 QVKPUOGNYDMYES-UHFFFAOYSA-N 404.470 3.228 0 40 HGAB COc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2cc(C)ccc2C)c1 22229726 FQUQQAYNJJGQHM-LJQANCHMSA-N 402.516 3.412 0 40 HGAB CCCn1nc(C(=O)NC[C@H](c2cccs2)N2CCCC2)c2ccccc2c1=O 23554676 VJQBEARVPCWGRE-GOSISDBHSA-N 410.543 3.435 0 40 HGAB O=C(CCNC(=O)C12CC3CC(CC(C3)C1)C2)N1CCN(Cc2ccccc2)CC1 23641887 MQGXEBBHCQTPBT-UHFFFAOYSA-N 409.574 3.054 0 40 HGAB O=S(=O)(CCN1CCN(c2ccccc2O)CC1)c1cc(Cl)ccc1Cl 23805234 WZCJBKXFWKYVHS-UHFFFAOYSA-N 415.342 3.295 0 40 HGAB NC(=O)[C@H]1CC(C(=O)Nc2ccc(-c3cn4ccccc4n3)cc2)=NN1c1ccccc1 29443166 JVSKGEJNRNPWBU-OAQYLSRUSA-N 424.464 3.060 0 40 HGAB CCOC(=O)[C@H]1CSCCN1C(=O)Cc1csc(-c2ccc(OCC)cc2)n1 30253177 RSGHWWGYENIZRH-QGZVFWFLSA-N 420.556 3.258 0 40 HGAB COCCC(=O)NC[C@@H]1C=C(C)[C@H](CC(=O)NCc2ccccn2)C[C@H]1C(C)C 30881106 SXVLPMVGJLXTLD-ZJOUEHCJSA-N 401.551 3.095 0 40 HGAB biogenic,in-vitro COc1c(C)cnc(CN2CCN([C@@H](C(=O)O)c3c[nH]c4ccccc34)CC2)c1C 31812211 GPYUPZRUAYKCED-OAQYLSRUSA-N 408.502 3.132 0 40 HGAB COc1ccc(CSC2=N[C@@H]3CS(=O)(=O)C[C@@H]3N2c2ccc(C)cc2)cc1 32639758 NELOUFMUSBJBJU-MOPGFXCFSA-N 402.541 3.279 0 40 HGAB COc1cc(/C=C(\C#N)C(=O)NC2CCCCC2)ccc1OCC(=O)N1CCCC1 32752427 MVRUROJICDPHSM-QGOAFFKASA-N 411.502 3.052 0 40 HGAB CCc1nc(S[C@H](C(=O)NC(N)=O)C(C)C)nc(N)c1-c1ccc(Cl)cc1 32905964 UPXABHCCYDIWFQ-AWEZNQCLSA-N 407.927 3.253 0 40 HGAB O=C(Nc1cccc(-n2cnnc2)c1)C1CCN(C(=O)/C=C/c2ccccc2)CC1 33200723 TVHDPZNFNVJZFU-MDZDMXLPSA-N 401.470 3.158 0 40 HGAB Cc1cc(Nc2ccc(NS(=O)(=O)c3ccc(F)c(F)c3)cc2)n2ncnc2n1 39998300 OVSOJGPPNSKYQO-UHFFFAOYSA-N 416.413 3.255 0 40 HGAB Cc1cc(C(=O)N[C@@H](C)c2cnn(-c3ccc(F)cc3)c2C)ccc1-n1cnnn1 40080612 GPHIMSQTEGTJAQ-AWEZNQCLSA-N 405.437 3.095 0 40 HGAB CCCCN(CCCC)S(=O)(=O)NC[C@@H](c1ccc(C)cc1)N1CCOCC1 40156747 CDOYIDHDEZMJPE-NRFANRHFSA-N 411.612 3.105 0 40 HGAB CC(=O)N[C@@H](CC(=O)NCCOc1cccc(Br)c1)c1cccs1 40157280 NUEINWUANGGOAJ-HNNXBMFYSA-N 411.321 3.273 0 40 HGAB Cc1ccc(NC(=O)C[C@H]2C(=O)N(C[C@H]3CCCO3)c3nc4ccccc4n32)cc1 40372460 AYXACZFYUCLBKI-XLIONFOSSA-N 404.470 3.440 0 40 HGAB Cc1cc(C)cc(NC(=O)[C@@H]2CC(=O)Nc3nc(Nc4ccccc4)[nH]c(=O)c32)c1 40399169 FSCIQGVRGQJIOL-MRXNPFEDSA-N 403.442 3.195 0 40 HGAB CS(=O)(=O)c1ccc(NC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1 43419158 TWUWVXHKWCEDSF-QGZVFWFLSA-N 402.472 3.230 0 40 HGAB CC(C)(C)OC(=O)NC1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 47542141 CWHOMGVZZWPMJQ-UHFFFAOYSA-N 419.341 3.127 0 40 HGAB Cc1ccc(-n2ncc(C(=O)N3CCC[C@H](c4nncn4C)C3)c2C(F)(F)F)cc1 48299873 NQJVPTYXXGBTHJ-AWEZNQCLSA-N 418.423 3.348 0 40 HGAB C[C@@H]1CCc2c(sc(NC(=O)[C@H]3CCS(=O)(=O)C3)c2C(=O)c2ccco2)C1 48361754 KJDYHODTCAGZJY-NEPJUHHUSA-N 407.513 3.070 0 40 HGAB COc1ccc(-n2cc(C(=O)O)c3c2[C@@H](c2ccc(O)cc2)CC(=O)N3)c(OC)c1 49543234 KNQDXDOCQRZHTO-OAHLLOKOSA-N 408.410 3.372 0 40 HGAB biogenic O=C(Nc1cccc(C(=O)N2CCSCC2)c1)N1CCN(c2ccccc2)CC1 50083685 ZQSRMVOGCIEGJG-UHFFFAOYSA-N 410.543 3.230 0 40 HGAB Cc1cc2[nH]c(SCC(=O)Nc3ccc(Br)c(C)c3)nc(=O)c2[nH]1 57521144 VPUUPSFWLRNLRR-UHFFFAOYSA-N 407.293 3.361 0 40 HGAB CCc1nc2cc3c(cc2n1CC(=O)NCCOc1ccc(Cl)cc1)OCCO3 64795184 HRJWAPRVBAFZOR-UHFFFAOYSA-N 415.877 3.219 0 40 HGAB COc1ccccc1NC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1 64985309 CCGWPYFGMMPLIP-OAQYLSRUSA-N 424.478 3.290 0 40 HGAB O=C(Nc1nc2c(s1)CCC2)c1ccc(N2CCCCS2(=O)=O)cc1Cl 71281210 POXCAKXNNDIQMJ-UHFFFAOYSA-N 411.936 3.468 0 40 HGAB CC(=O)NCC(=O)N1CCC[C@H]1c1cccc(Cc2ccc(C(F)(F)F)cc2)n1 72358101 UCQXKNDWVIPLKZ-IBGZPJMESA-N 405.420 3.491 0 40 HGAB CCc1nnc(Nc2cccc([C@@H]3CCCN(CC(=O)N4CCCC4)C3)n2)s1 72375945 MRTROMBQUFZXLI-OAHLLOKOSA-N 400.552 3.041 0 40 HGAB COc1cc2c3cnn(CN4CC[C@H](c5ccccc5)C4)c(=O)c3n(C)c2cc1OC 79476959 HMPDXALCTPIWSJ-KRWDZBQOSA-N 418.497 3.352 0 40 HGAB CCC(CC)[C@@H](C(=O)NC1CCN(Cc2ccc(F)cc2)CC1)N1CCOCC1 95401823 SSXJAMVETBKKKN-QFIPXVFZSA-N 405.558 3.043 0 40 HGAB C[C@H](NCC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1)C12CC3CC(CC(C3)C1)C2 95469679 VGQSGTPDODSZTL-GAHAVRLESA-N 422.635 3.139 0 40 HGAB CN(C)c1ncc(I)c([C@@H]2CCCN2C(=O)OC(C)(C)C)n1 95627296 RCHGEHVOIUNLLB-NSHDSACASA-N 418.279 3.219 0 40 HGAB CCn1/c(=N/C(=O)[C@@H]2COc3ccccc3O2)sc2c(OC)ccc(OC)c21 100909129 MNDXWDJYORMLEI-JHBCHSCWSA-N 400.456 3.007 0 40 HGAB Cc1ccc(N2C(=O)[C@H]3N=NN(Cc4nc(-c5ccccc5)no4)[C@@H]3C2=O)cc1Cl 101262189 HSZGVDYKASHYPC-IRXDYDNUSA-N 422.832 3.192 0 40 HGAB CC(C)COC(=O)[C@@H]1C(=O)C[C@@](C)(O)[C@H](C(=O)OCC(C)C)[C@@H]1c1cccc(F)c1 102693831 MOBZJTQVGSXGLX-ISHFTEKXSA-N 422.493 3.264 0 40 HGAB C[C@H](NC(=O)CN1C(=O)N[C@]2(CCCCc3ccccc32)C1=O)[C@@H]1C[C@H]2CC[C@H]1C2 103449478 NAYNWIWHSDEETK-BPZOCRNGSA-N 409.530 3.101 0 40 HGAB O=C(CCCN1C(=O)c2ccccc2C1=O)NCc1nc(-c2ccccc2Cl)no1 219140439 MMOIQLWSEJITLO-UHFFFAOYSA-N 424.844 3.083 0 40 HGAB CS(=O)(=O)N(CC(=O)NCCCc1ccccc1)c1ccc(C(F)(F)F)cc1 220048612 JFPPQOZPAJGBDJ-UHFFFAOYSA-N 414.449 3.220 0 40 HGAB CCOCCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1 222918090 TWEAOCAJDNCEJI-SFHVURJKSA-N 400.494 3.328 0 40 HGAB CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(C)n1-c1cccnc1 223646495 HGXCANBEJZDQQE-SFTDATJTSA-N 421.526 3.111 0 40 HGAB CCS(=O)(=O)N1C[C@@H](C(=O)Nc2ccc3c4c(cccc24)CC3)Oc2ccccc21 224228843 VWCDLFWVWQONKR-NRFANRHFSA-N 422.506 3.494 0 40 HGAB COC(=O)c1cc(S(=O)(=O)N[C@@H]2CCCc3cc(OC)ccc32)ccc1Cl 225253509 OMLGZMHBZXGCSL-GOSISDBHSA-N 409.891 3.491 0 40 HGAB CC(=O)c1ccc(N2CCN(C[C@H](O)COCC3=CC[C@H]4C[C@H]3C4(C)C)CC2)cc1 245228253 LQYFQQZOGBCADR-OEMFJLHTSA-N 412.574 3.381 0 40 HGAB CC(C)N1CCC(c2cc(O)n3nc([C@@H]4CCCN4C(=O)[C@H]4C[C@H]4C)cc3n2)CC1 248139659 BGBDTQYDNVHUAY-SYNHAJSKSA-N 411.550 3.342 0 40 HGAB Cc1cccc2c(C[C@H](C)NC(=O)CN3C(=O)N[C@@]4(CCCC[C@H]4C)C3=O)c[nH]c12 248327986 BCGALRMSQQEZNK-VBURHUQHSA-N 410.518 3.024 0 40 HGAB CN(C)c1cncc([C@@H]2CCCN2C(=O)C2(Cc3ccccc3F)CCOCC2)n1 257218005 DBMKRKHQBILSRC-FQEVSTJZSA-N 412.509 3.385 0 40 HGAB Cn1nccc1C(=O)N1CC[C@@]2(C)[C@@H]1CCC(=O)N2Cc1ccc(C(F)(F)F)cc1 257221222 DOAWOWJCAXHFPT-PXNSSMCTSA-N 420.435 3.235 0 40 HGAB COc1ccccc1Cc1cnc([C@@H]2CCCN(C(=O)COc3cccnc3)C2)o1 257309793 UCKPRPDUONAIQF-GOSISDBHSA-N 407.470 3.454 0 40 HGAB S=C1N[C@H](c2ccccn2)[C@H](c2cccn2-c2cccnc2)N1C[C@H]1CCCO1 260913978 FXVDEKYEZVWBBT-UIFIKXQLSA-N 405.527 3.419 0 40 HGAB COc1ccc(CN2C[C@@H]3[C@H](Oc4ccc(C)cc4)CCS(=O)(=O)[C@H]3C2)cc1 306123821 AXWJJMJYGUARFQ-VSKRKVRLSA-N 401.528 3.070 0 40 HGAB COc1cccc(-n2nccc2-c2nc(C(=O)NCC(C)(C)C)c3cnccn23)c1 306125077 CGIINNVWEJBCTN-UHFFFAOYSA-N 404.474 3.367 0 40 HGAB COc1ccc(NC(=O)c2cccc(NC(=O)[C@@H]3[C@H]4C[C@H]5OC(=O)[C@@H]3[C@H]5C4)c2)cc1 408667990 QQXBZRVBWSHJNM-WNTFAFMFSA-N 406.438 3.084 0 40 HGAB O=S(=O)(Oc1c(Br)cc(CO)cc1Br)c1ccccc1 409136412 UKYGLDGWFUSPTB-UHFFFAOYSA-N 422.094 3.472 0 40 HGAB Cc1ccccc1-n1cccc1/C=C1/NC(=O)N(CC(=O)Nc2ccccc2F)C1=O 409211345 NOCNLMXQZVMZCE-CPNJWEJPSA-N 418.428 3.456 0 40 HGAB COc1cc(OC)cc(N2CC[C@@H](N(C)c3nc(C)cc(C(F)(F)F)n3)C2=O)c1 543434154 IZNYJZBUXXKSAT-OAHLLOKOSA-N 410.396 3.063 0 40 HGAB Cc1cccnc1Nc1cc(C[C@@H]2CCCN(C(=O)/C=C/c3cnn(C)c3)C2)ncn1 585291868 UNPWGTPXTKMJGX-DVBCCOPCSA-N 417.517 3.152 0 40 HGAB O=C1[C@@H](NS(=O)(=O)c2cccc3scnc23)CCCN1c1ccccc1Cl 1621833701 VXNFCAVUFCKSBX-ZDUSSCGKSA-N 421.931 3.424 0 40 HGAB CCOc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccccc3CC)CC2=O)cc1 794302 PNNWVHYHHUGBMX-QGZVFWFLSA-N 410.470 3.183 0 40 HGAB CCOC(=O)c1sc(NC(=O)c2ccc3c(c2)OCCO3)c(C(=O)OCC)c1C 1465699 HNNYKEIBBUWQGH-UHFFFAOYSA-N 419.455 3.433 0 40 HGAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)OCC(=O)NC(=O)NCC(C)C 2635702 GMIGMYPVDQAGIP-UHFFFAOYSA-N 411.817 3.081 0 40 HGAB CC(=O)Nc1sc2c(c1C(=O)OCC(=O)Nc1ccc(Cl)cn1)CCCC2 2647036 QDSHPVLKLLMBJD-UHFFFAOYSA-N 407.879 3.429 0 40 HGAB CN(Cc1ccccc1)C(=O)CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O 3466771 WKECNXUWBYWDJQ-UHFFFAOYSA-N 413.477 3.141 0 40 HGAB O=C(COC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1)c1ccc(F)cc1 4827820 MHNBHDMKAOALOX-UHFFFAOYSA-N 419.474 3.430 0 40 HGAB Cc1cc(C)c(N(CC(=O)NC(C)(C)C)C(=O)CNC(=O)c2cccs2)c(C)c1 4861371 QHVDGHWNXQSHTG-UHFFFAOYSA-N 415.559 3.351 0 40 HGAB COc1ccc(-n2nc3c(c2NC(=O)C(=O)NC2CCCCC2)CSC3)cc1 4941671 QGQAMLSYIWEWJJ-UHFFFAOYSA-N 400.504 3.015 0 40 HGAB COc1ccc(N2CCCS2(=O)=O)cc1NC(=O)C12CC3CC(CC(C3)C1)C2 5076015 PWYVSHRQKGBSQW-UHFFFAOYSA-N 404.532 3.390 0 40 HGAB COc1ccc(OC)c(NC(=O)Cn2cnc3c(Cl)cc(Cl)cc3c2=O)c1 6087144 DPZZENKOUCARNY-UHFFFAOYSA-N 408.241 3.359 0 40 HGAB Cc1c(CC(=O)NCCc2c[nH]c3ccc(F)cc23)c(=O)oc2cc(O)cc(O)c12 6759746 CAFSGNJIHWTWJR-UHFFFAOYSA-N 410.401 3.034 0 40 HGAB COc1ccc(NC(=O)c2c(-c3ccccc3)noc2C)cc1S(=O)(=O)N(C)C 7980894 DPCZXOGLGUPBEK-UHFFFAOYSA-N 415.471 3.161 0 40 HGAB O=C(CSc1nnc(NC[C@@H]2CCCO2)s1)Nc1ccc(N2CCCC2)cc1 8157196 RLEIRHIYELQGTO-INIZCTEOSA-N 419.576 3.460 0 40 HGAB CCOC(=O)c1ccc(NC(=O)COC(=O)CCCC(=O)Nc2ccccc2)cc1 8412739 JXZSQBPWFSCXKT-UHFFFAOYSA-N 412.442 3.154 0 40 HGAB CCc1ccc(OC)c(S(=O)(=O)Nc2ccc3c(c2)N(C)C(=O)C(C)(C)CO3)c1 9170272 VORFOOVHHNRHDH-UHFFFAOYSA-N 418.515 3.440 0 40 HGAB CC(=O)NCc1ccc(C(=O)CSc2nnc(-c3ccc4c(c3)OCO4)o2)s1 9255518 JPCFUEVSUQKDRF-UHFFFAOYSA-N 417.468 3.138 0 40 HGAB C[C@@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)C(=O)N(C)c1ccccc1 9377666 VKYWYAXXQYYMTR-CQSZACIVSA-N 405.483 3.252 0 40 HGAB COc1ccc(CN2C(=O)N[C@@H](CCC(=O)N[C@H]3CCCc4ccccc43)C2=O)cc1 9419024 LVUCDAAVEIRAKJ-SFTDATJTSA-N 421.497 3.090 0 40 HGAB COc1cccc(NC(=O)Cc2csc(NS(=O)(=O)c3ccccc3)n2)c1 9828712 NWXLYMIQDZQVDD-UHFFFAOYSA-N 403.485 3.134 0 40 HGAB COc1ccc(NC(=O)c2ccc(NC(=O)CNc3ccccc3C(N)=O)cc2)cc1 10841152 DKSQTPUNYCJWQD-UHFFFAOYSA-N 418.453 3.097 0 40 HGAB COC(=O)c1cc(NC(=O)c2cc(C)nc3c2cnn3C(C)C)cc(C(=O)OC)c1 10958251 KJJQWCBUHMXEPY-UHFFFAOYSA-N 410.430 3.146 0 40 HGAB CC(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)NC2CC(C)(C)NC(C)(C)C2)c1 11423932 SOFALZQDZPSYSC-UHFFFAOYSA-N 415.987 3.066 0 40 HGAB O=C(COc1ccc(-n2cnnn2)cc1)N1N=C(c2cccs2)C[C@@H]1c1ccco1 11683512 GUMHCLDQOUPCOD-QGZVFWFLSA-N 420.454 3.074 0 40 HGAB C[C@@H]1CCN(C(=O)COC(=O)c2cccc(S(C)(=O)=O)c2)c2ccccc2S1 11836270 OXYQPVXYMMUGMR-CQSZACIVSA-N 419.524 3.164 0 40 HGAB CCn1c(CN2CCCCCC2=O)nnc1SCC(=O)NCCC1=CCCCC1 12125295 XFTAVDBKADOTCL-UHFFFAOYSA-N 419.595 3.299 0 40 HGAB COc1ccc(S(=O)(=O)N2Cc3ccccc3OC3(CCC(CO)CC3)C2)cc1 12126464 OFSAKRDZGISREN-UHFFFAOYSA-N 417.527 3.200 0 40 HGAB COc1cccc(COc2cn(C)c(C(=O)NCCc3ccc(F)cc3)cc2=O)c1 12167388 CJFUPWYCSXDSFO-UHFFFAOYSA-N 410.445 3.085 0 40 HGAB Cc1cc(=O)c(OCc2ccc(F)cc2)cn1CC(=O)Nc1ccc2c(c1)OCCO2 12230536 JDZUHTYIMXBUKJ-UHFFFAOYSA-N 424.428 3.285 0 40 HGAB Cc1cc(C)n2c(SCc3nnnn3-c3ccc(Cl)c(Cl)c3)nnc2n1 12446139 ZQKILLRTACVSEB-UHFFFAOYSA-N 407.290 3.316 0 40 HGAB CCCN(Cn1nc(-c2ccccc2Cl)oc1=S)[C@H]1CCS(=O)(=O)C1 12758481 HZGUHQUSNQRQHD-LBPRGKRZSA-N 401.941 3.383 0 40 HGAB COc1ccc(C)cc1-n1c(SCCN2CCOCC2)nc2ccccc2c1=O 12813705 WWXCLWDLHVOEGR-UHFFFAOYSA-N 411.527 3.127 0 40 HGAB Cc1ccccc1[C@@H](OC[C@H](O)Cn1cnc2ncccc2c1=O)c1ccccc1 12845737 KAUCSJQAXXYHGK-KNQAVFIVSA-N 401.466 3.267 0 40 HGAB C[C@@H](NC(=O)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1)c1ccccc1Cl 12911730 DANXRVOJGKGIRP-GDBMZVCRSA-N 422.934 3.288 0 40 HGAB CCOc1ccccc1CCCNC(=O)[C@H](C)N(c1ccc(C)cc1)S(C)(=O)=O 13613348 OKAIEPHXKVVWHL-SFHVURJKSA-N 418.559 3.297 0 40 HGAB CC(=O)N[C@]1(CC(=O)c2ccc(Br)cc2)C(=O)N(C)c2ccccc21 13630093 IIAZWAPTTVUSAP-IBGZPJMESA-N 401.260 3.030 0 40 HGAB Cc1cc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)n(C(C)C)n1 13656998 PFMMFQZWLKFPDT-LBPRGKRZSA-N 416.956 3.279 0 40 HGAB C[C@@H](OC[C@@H](O)CN(C)Cc1nc(=O)c2ccccc2[nH]1)c1ccc(Cl)cc1 13683046 KTOLXAREESXCQJ-PBHICJAKSA-N 401.894 3.147 0 40 HGAB C[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 15576728 HAWBXZRSRBVUHW-NVXWUHKLSA-N 402.491 3.204 0 40 HGAB CCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccco3)cc2Cl)CC1 17092516 CZGXNNAIYZYDAG-UHFFFAOYSA-N 420.922 3.118 0 40 HGAB Cn1ccnc1-c1c(-c2ccc(F)cc2)cnn1CCNC(=O)COc1ccccc1 19291757 TWSNRXAAXTWTMM-UHFFFAOYSA-N 419.460 3.285 0 40 HGAB C[C@@H](NC(=O)CN(c1nccs1)S(=O)(=O)c1ccccc1)c1cccs1 19425023 BAVZUOYSYOEGJP-CYBMUJFWSA-N 407.542 3.277 0 40 HGAB CCOC(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CCCN(C(=O)[C@@H]2CCCO2)C1 19529918 BNVHCVBUCPPHEX-NZQKXSOJSA-N 412.486 3.235 0 40 HGAB CN(C)[C@@H](CNC(=O)CN1C(=O)COc2c(Cl)cccc21)c1cccc(Cl)c1 19655469 UIIMMWBKTRHWLY-KRWDZBQOSA-N 422.312 3.138 0 40 HGAB Cc1nn(C)c(C)c1C[C@H](C)NC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 19661364 NFROFGXFOZARQH-ZDUSSCGKSA-N 423.483 3.415 0 40 HGAB CCN(C(=O)C1CCN(c2ncnc3sc(C)c(C)c23)CC1)C1CCN(C)CC1 19664514 ACEROMBYJGTMEM-UHFFFAOYSA-N 415.607 3.467 0 40 HGAB Cc1ccc([C@]2(O)CCN(C(=O)c3ccc(Nc4cc(C)nc(N)n4)cc3)C2)cc1 19716991 AHHXLBVHXHANIR-QHCPKHFHSA-N 403.486 3.153 0 40 HGAB Cc1nc([C@@H]2CCCCN2C(=O)c2ccncc2)ncc1C(=O)NCc1ccccc1 19766411 HIESBNBGIATZAV-NRFANRHFSA-N 415.497 3.477 0 40 HGAB COC(=O)[C@@](NC(=O)c1ccc(OC)cc1)(Nc1ccc(Cl)cn1)C(F)(F)F 19831607 JRMJYFYNGRLWNX-INIZCTEOSA-N 417.771 3.017 0 40 HGAB O=C(NCc1ccccc1)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2Cl)C1 19859615 ZGZZKMZCZXVKKV-QGZVFWFLSA-N 406.935 3.198 0 40 HGAB CC1=NN(c2ccccc2)C(=O)[C@@]1(C)NS(=O)(=O)c1ccc(F)c2ccccc12 20436320 JQIWWRWRDXOZIK-NRFANRHFSA-N 411.458 3.439 0 40 HGAB O=C(Nc1ccc2scnc2c1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 21000959 JCSCDSZBLVXKJF-UHFFFAOYSA-N 419.503 3.475 0 40 HGAB COCc1nc(N2CCN(c3ccccc3F)CC2)[nH]c(=O)c1CCc1ccccc1 22448770 LZWWBYFZWYGFCE-UHFFFAOYSA-N 422.504 3.167 0 40 HGAB O=C(N[C@@H](CN1CCOCC1)c1ccccc1)c1ccc(NC(=O)c2ccco2)cc1 23873187 SVMUKOQCQSKLKE-NRFANRHFSA-N 419.481 3.335 0 40 HGAB CC(=O)NCc1ccc(C(=O)N2CCN([C@H](C)c3nc4ccccc4s3)CC2)cc1 23922025 SIZDSPYOZDFZOV-MRXNPFEDSA-N 422.554 3.451 0 40 HGAB NC(=O)CN1CCC(Nc2ncnc3cc(-c4ccc(Cl)cc4)sc23)CC1 25151155 FZZZJGCIYSNKOI-UHFFFAOYSA-N 401.923 3.373 0 40 HGAB O=C(/C=C/c1cc(Cl)c2c(c1)OCO2)NC[C@@H](c1cccs1)N1CCOCC1 29843924 FZPVLFMVLOMZAF-CWDCEQMOSA-N 420.918 3.333 0 40 HGAB CN(Cc1ccc(OC(F)F)cc1)C(=O)CS(=O)(=O)c1ccc(Cl)cc1 30898030 DKQHQTGJZTZLNL-UHFFFAOYSA-N 403.834 3.374 0 40 HGAB COC(=O)c1ccccc1NC(=O)c1nn(C)c2c1Cc1cc(OC)c(OC)cc1-2 32095562 BPMISBFKZGYRNV-UHFFFAOYSA-N 407.426 3.047 0 40 HGAB CCn1c(CNC(=O)c2ccccc2Cl)nnc1SCC(=O)NC1CCCC1 33563486 QRJYFRXIOMQIPA-UHFFFAOYSA-N 421.954 3.032 0 40 HGAB COc1ccc2cc([C@H]3c4cc(OC)c(OC)cc4CCN3C(C)=O)c(=O)[nH]c2c1 35313743 PTYZQDMSZNTHER-JOCHJYFZSA-N 408.454 3.048 0 40 HGAB COc1cccc(C(=O)Nc2nnc(Cc3ccc(S(=O)(=O)C(C)C)cc3)o2)c1 35588410 NQTKBJOSVAPLBD-UHFFFAOYSA-N 415.471 3.103 0 40 HGAB CCOc1c(C(=O)NC)cn(C)c1-c1nc2cc(NC(=O)c3ccco3)ccc2n1C 36370106 GWBFXXMXMZCCGU-UHFFFAOYSA-N 421.457 3.182 0 40 HGAB biogenic CCc1ccccc1NC(=O)CN(C)C(=O)[C@H]1CCCN(C(=O)Cc2ccccc2)C1 36394312 JXRWRUKPYCOBCT-NRFANRHFSA-N 421.541 3.127 0 40 HGAB O=C1OCCN1c1cccc(CNS(=O)(=O)c2cc(Cl)ccc2Cl)c1 40149722 VDVKAQMLERBPHN-UHFFFAOYSA-N 401.271 3.429 0 40 HGAB Cc1ccc(NC(=O)N(C)C[C@@H]2CCCO2)cc1NC(=O)N(C)C[C@H]1CCCO1 40158473 GZOQIBZNEDREDH-ZWKOTPCHSA-N 404.511 3.280 0 40 HGAB CN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccccn2)[C@@H]1c1ccc2c(c1)OCO2 40287870 OQXYGVYABBJMAR-SFTDATJTSA-N 401.422 3.360 0 40 HGAB O=C(C1=NN(Cc2cccc(F)c2)c2ccccc2S1(=O)=O)N1CCCCCC1 49402583 DMUYKYVCLMCBQQ-UHFFFAOYSA-N 415.490 3.336 0 40 HGAB COc1ccc(NC(C)=O)c(NC(=O)C2=NN(c3cc(C)ccc3C)C(=O)CC2)c1 56177647 KYHDNSRSMIGVAY-UHFFFAOYSA-N 408.458 3.392 0 40 HGAB CN(C)c1cccc(OCC(=O)NCCn2cc(-c3ccncc3)c(C3CC3)n2)c1 57774594 KJAZSTQFYYXGIP-UHFFFAOYSA-N 405.502 3.084 0 40 HGAB CCS(=O)(=O)c1ccccc1C(=O)NCCCC(=O)Nc1ccc(Cl)cc1 59918987 OPFDDNZMZDMBEQ-UHFFFAOYSA-N 408.907 3.282 0 40 HGAB COc1ccc([C@@H]2CC(c3ccccc3O)=NC3(CCN(C(C)=O)CC3)N2)cc1OC 65298567 JOXGHOBYAUTJJL-IBGZPJMESA-N 423.513 3.272 0 40 HGAB biogenic CCN1CCC[C@H](NC(=O)NC[C@@H]2CCN(c3cccc(Br)c3)C2)C1 65497070 SSNHPGYRRZDWGI-RDJZCZTQSA-N 409.372 3.059 0 40 HGAB C[C@@H]1CN(C(=O)c2ccc(CNC(=O)NCCc3cccs3)cc2)C[C@@H](C)O1 69950629 XZTLFXHTLCJLLC-HZPDHXFCSA-N 401.532 3.039 0 40 HGAB COC(=O)[C@@]1(Cc2ccc(OC)cc2)C(=O)C[C@H]2CC[C@@H]1N2Cc1cccc(OC)c1 72340206 XAAJGQSXNFAOIO-RZTXVSJASA-N 423.509 3.412 0 40 HGAB Cc1ncsc1C(=O)N1CCC[C@H](c2nccnc2-c2cccc(C(N)=O)c2)C1 72359039 YEZIAXXMYVMBAS-INIZCTEOSA-N 407.499 3.027 0 40 HGAB Cc1ccc(CC(=O)N2CCC[C@H]2CN2Cc3ccccc3OC[C@@H]2CN(C)C)cc1 72394956 KENWIABETVAWCT-ZEQRLZLVSA-N 421.585 3.353 0 40 HGAB O=C(CNC(=O)N1CCN(c2ccccc2)CC1)Nc1ccc(OC(F)(F)F)cc1 72401925 PCQWLQXOIUJQJP-UHFFFAOYSA-N 422.407 3.056 0 40 HGAB Cc1cc(NC(=O)[C@H](C)SCC(=O)N(Cc2cccs2)C[C@H]2CCCO2)no1 84119775 VQDANHOWVDNWEJ-LSDHHAIUSA-N 423.560 3.313 0 40 HGAB COc1cc2c(cc1OC)CN(CC(=O)NCc1coc(-c3ccccc3)n1)CC2 95427686 HBGVDFNLQKNBEF-UHFFFAOYSA-N 407.470 3.033 0 40 HGAB COc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccncc4)[C@H]3C2=O)cc1 100558863 ZWEYECKGSIUVIR-HKBOAZHASA-N 401.422 3.141 0 40 HGAB Cc1cnc(C(=O)Nc2ccc(S(=O)(=O)N[C@H](C)[C@H]3C[C@H]4CC[C@H]3C4)cc2)cn1 104748655 PDSHEVHHSRORCH-PASDCYSWSA-N 414.531 3.140 0 40 HGAB O=C(COC(=O)c1ccc(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)cc1)Nc1ccccc1 165704802 QZGCHFZYRRCDJU-LRGYGIHKSA-N 418.449 3.018 0 40 HGAB COc1ccc(C)cc1NC(=O)CN(c1ccc(C(F)(F)F)cc1)S(C)(=O)=O 220042793 OUHSKEQPYNSNPM-UHFFFAOYSA-N 416.421 3.427 0 40 HGAB CC[C@@H](C(=O)NCCc1ccc(F)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O 224306726 LVRDKTMSTBXNCC-SFHVURJKSA-N 412.914 3.383 0 40 HGAB O=C(NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)Nc1cccc(Cl)c1 224339404 ZOHHWYMBPKMLON-UHFFFAOYSA-N 423.922 3.325 0 40 HGAB COc1cc(NC(=S)N[C@H](CC(=O)O)c2ccc(Cl)cc2Cl)ncn1 225220346 XGPHAGKHDJSWLM-LLVKDONJSA-N 401.275 3.294 0 40 HGAB Cc1cc2nc([C@H]3CCCN(C[C@H](C)Cc4ccc5c(c4)OCO5)C3)cc(N)n2n1 248329179 CSUSDDAYRNWWRA-QAPCUYQASA-N 407.518 3.407 0 40 HGAB Cn1ccc2cc([C@@H](O)CNS(=O)(=O)c3ccc(OC(F)(F)F)cc3)ccc21 252499283 RYFXJLHGPGZIRZ-KRWDZBQOSA-N 414.405 3.089 0 40 HGAB COc1ccc(NC(=O)CN2[C@H]3CCCC(=O)N[C@@]3(C)C[C@H]2Cc2ccccc2)cc1 257255553 KHXRIWPDIZLRSJ-KJWPAHLWSA-N 421.541 3.378 0 40 HGAB CC(=O)N1[C@@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)N2C(=O)Cn1cc(C)cn1 257310100 UDRJITVRXKQJPC-LYVDORBWSA-N 420.557 3.193 0 40 HGAB CCCc1cc(C(=O)NC[C@H]2CC[C@H](c3nnc(-c4cnc(C)cn4)o3)CC2)no1 257321765 WDDQERNDRGOVCZ-SHTZXODSSA-N 410.478 3.479 0 40 HGAB Cn1cnc(S(=O)(=O)N2CCC[C@H]2c2ncc(Cc3ccccc3Cl)o2)c1 257322055 WEKUSVVEDPTICZ-INIZCTEOSA-N 406.895 3.178 0 40 HGAB CCC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)Nc2cccc(OC)c2)cc1 408590637 KCXSQNYHGSOAPD-OAHLLOKOSA-N 406.504 3.180 0 40 HGAB O=C(N[C@@H]1C(=O)N/[N+](=C\c2ccccc2)[C@@H]1c1ccc(Cl)cc1)c1ccccc1 409061242 YKQRUXYMWNLIAA-LADMSCKDSA-O 404.877 3.356 0 40 HGAB CCOCCCNC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1 409111892 CZIBBKUURHFADS-UHFFFAOYSA-N 410.923 3.078 0 40 HGAB O=C(N[C@H](Cc1ccccc1)C(=O)N[C@@H](CO)CC1CCCC1)c1cccs1 513931993 QBBNJJVKMDZLKZ-RTBURBONSA-N 400.544 3.147 0 40 HGAB Cc1sc2nc([C@H](C)N3CCC(C)(CN4CCN(C)CC4)CC3)nc(N)c2c1C 541664540 LTLUKCPFJZHXCL-INIZCTEOSA-N 416.639 3.301 0 40 HGAB CC(=O)Nc1ccc(-c2cnc3n2CCN(C(=O)c2ccc(N(C)C)cc2)CC3)cc1 585111159 HFNOIVIQAJXYQV-UHFFFAOYSA-N 417.513 3.273 0 40 HGAB C[C@@H]1CCCN(Cc2ccccc2CNC(=O)CNC(=O)c2ccc3c(c2)CCC3)C1 589689113 WSPIHQLYCQHLIH-LJQANCHMSA-N 419.569 3.453 0 40 HGAB O=C(CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]12)Nc1ccc(Cl)cn1 604419618 PBCXJNWGKXTFGV-HXUWFJFHSA-N 418.840 3.489 0 40 HGAB CN1CCC[C@@H](CNC(=O)c2ccc(-n3cnnn3)cc2Cl)[C@@H]1c1cccs1 607538718 KEZGQOMSPVCFEZ-SCLBCKFNSA-N 416.938 3.190 0 40 HGAB COC(=O)c1cccn(CC(=O)N[C@H](c2ccccc2)c2cc3ccccc3o2)c1=O 1124570572 XRBKFZAEZAXQRP-JOCHJYFZSA-N 416.433 3.287 0 40 HGAB CNC(=O)c1ccc(NC(=O)c2ccc(-c3nnc(-c4cccc(C)c4)o3)cc2)nn1 1611556874 ZFUXPWMKEHUMFJ-UHFFFAOYSA-N 414.425 3.114 0 40 HGAB C[C@@](CO)(NC(=O)Nc1nn(-c2ccc(F)cc2)c2c1CCC2)c1cccc(O)c1 1663107549 YDCYDYCDJACBBQ-QFIPXVFZSA-N 410.449 3.235 0 40 HGAB Cc1cccc(C(=O)NC(=S)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1 675580 PAVIBWHWWOGHES-UHFFFAOYSA-N 417.556 3.296 0 40 HGAB CCN(CC)CCN1C(=O)c2ccccc2N2C(=O)c3c(ccc(OC)c3OC)[C@H]12 2118416 SLICQNPSYDKJJL-OAQYLSRUSA-N 409.486 3.160 0 40 HGAB biogenic COc1ccccc1C(=O)N/C(=C\c1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)O 2280570 DMZJCOCVBFFQRU-BSKAQADGSA-N 410.470 3.082 0 40 HGAB biogenic O=C(Nc1nccs1)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 2647643 KEVJJUGLMXFTGZ-UHFFFAOYSA-N 420.343 3.489 0 40 HGAB O=C(CSc1nnc(-c2ccc(F)cc2)n1-c1ccccc1)NC[C@@H]1CCCO1 2661250 SRJTYBBJJIRFDL-SFHVURJKSA-N 412.490 3.461 0 40 HGAB COc1cc(-c2nnc(SCC(=O)N3CCC[C@H](C)C3)o2)cc(OC)c1OC 2720415 WHBQUZNGKYXOSA-LBPRGKRZSA-N 407.492 3.113 0 40 HGAB CCN(CC)C(=O)Cn1cc(C(=O)C(=O)N(C)Cc2ccccc2)c2ccccc21 3007528 NAXWVXXMVMMIPF-UHFFFAOYSA-N 405.498 3.351 0 40 HGAB COc1ccccc1NC(=O)CSc1nnc(-c2ccc(OC)c(OC)c2)o1 3229089 BTLSVKVOZRGIKG-UHFFFAOYSA-N 401.444 3.493 0 40 HGAB CC(C)(C)c1ccc(C(=O)NCC(=O)OCC(=O)Nc2cc(F)ccc2F)cc1 3245327 DMHDHZGLIGSNLH-UHFFFAOYSA-N 404.413 3.174 0 40 HGAB Cc1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)c(Br)c1 3460604 CVZVKTJIEDSFRS-IBGZPJMESA-N 416.275 3.163 0 40 HGAB CC(=O)Oc1ccc([C@H]2C(C(=O)OCC(C)C)=C(C)N=C3S[C@H](C)C(=O)N32)cc1 3636584 JSTXEHLUSNBSNQ-ACJLOTCBSA-N 416.499 3.460 0 40 HGAB Cc1ccc(S(=O)(=O)N(CCCO)Cc2cc3cc(C)c(C)cc3[nH]c2=O)cc1 4161919 IXEFUQLJTMAZKA-UHFFFAOYSA-N 414.527 3.027 0 40 HGAB CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)C[C@@H]1CCS(=O)(=O)C1 4392497 CRJSJLZLIUUVQZ-ZDUSSCGKSA-N 407.513 3.355 0 40 HGAB Cc1c(Br)ccc(NC(=O)CCN2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2=O)c1C 4554162 FDPGYWBYYOWPDN-WVMBZCLNSA-N 419.319 3.426 0 40 HGAB COc1ccc(-c2noc(CNC(=O)COc3ccc(Cl)c(C)c3)n2)cc1OC 4943757 KWMPUCNAWQPZFF-UHFFFAOYSA-N 417.849 3.411 0 40 HGAB CCOC(=O)N1CCc2c(sc(NC(=O)CSc3ccccc3)c2C(N)=O)C1 5192203 PKDJKXBBKQTXJC-UHFFFAOYSA-N 419.528 3.092 0 40 HGAB COc1ccc(C(=O)CSc2nc(=O)n(Cc3ccncc3)c3c2CCC3)cc1 5264068 BHGAQOFRURUYHV-UHFFFAOYSA-N 407.495 3.159 0 40 HGAB COc1ccc(OC)c([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCCO)c1 5576020 ADDAOPRWSPRUCY-HXUWFJFHSA-N 409.438 3.046 0 40 HGAB Cc1ccc(Cl)cc1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C 6328579 VZEVFHWIIFILGY-UHFFFAOYSA-N 408.907 3.230 0 40 HGAB COc1ccc(Cl)cc1NC(=O)CN(C)[C@@H](C)C(=O)N1CCc2ccccc2C1 7683031 WLTWWUODWDARLB-HNNXBMFYSA-N 415.921 3.192 0 40 HGAB C[C@@H]1CCc2[nH]c3ccc(C(=O)OCC(=O)Nc4ccc5[nH]c(=O)[nH]c5c4)cc3c2C1 7778486 YVMSUDNIEKPSHE-GFCCVEGCSA-N 418.453 3.258 0 40 HGAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CN(C)Cc1coc(-c2cccs2)n1 7874803 SIXCFUAFJSYANM-MRXNPFEDSA-N 420.560 3.208 0 40 HGAB Cc1ccc(NCC(=O)Nc2ccccc2F)cc1S(=O)(=O)N1CCCCC1 7973414 UAHDFZJUNKAZRF-UHFFFAOYSA-N 405.495 3.359 0 40 HGAB CC(=O)c1ccc(S(=O)(=O)NCCC(=O)Nc2cccc(C(F)(F)F)c2)cc1 8761952 HUWOYFAEGMXOJB-UHFFFAOYSA-N 414.405 3.215 0 40 HGAB COC(=O)[C@H](C)Sc1nnc(-c2nn(Cc3ccccc3)c(=O)c3ccccc23)o1 8803716 YWTQSSKCUYMXCU-ZDUSSCGKSA-N 422.466 3.148 0 40 HGAB O=c1ccc(-c2ccco2)nn1CCNS(=O)(=O)c1ccc(-c2ccccc2)cc1 8954720 COPJBUYVRKMFHW-UHFFFAOYSA-N 421.478 3.149 0 40 HGAB COc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCC(C)(C)C(=O)N3C)c(C)c1 9165844 DAPXOLQTAQKRPZ-UHFFFAOYSA-N 404.488 3.186 0 40 HGAB O=C(CCC(=O)c1cccs1)OCc1cc(=O)n2cc(Br)ccc2n1 9315763 GUXMGOKKNHGJOC-UHFFFAOYSA-N 421.272 3.225 0 40 HGAB CC(C)C[C@H]1NC(=O)N(CC(=O)N(CCc2ccccc2)Cc2ccccc2)C1=O 9538040 ORFVDLSCXNRGCN-OAQYLSRUSA-N 407.514 3.224 0 40 HGAB O=C(COC(=O)c1ccc(S(=O)(=O)C(F)F)cc1)N[C@H]1CCCc2ccccc21 9631827 MDSFCFLKPIFVGO-KRWDZBQOSA-N 423.437 3.034 0 40 HGAB O=C(CSc1nnc([C@H]2COc3ccccc3O2)o1)N1CCC(c2ccccc2)=N1 9664551 XENKODHXQZFYEE-GOSISDBHSA-N 422.466 3.311 0 40 HGAB CC(=O)NCCn1nc([C@@H]2CCCN(Cc3cccc(F)c3F)C2)c2cccnc21 12219522 QSRXYMXXLOPWQK-QGZVFWFLSA-N 413.472 3.225 0 40 HGAB CN(Cc1ccccc1N1CCOCC1)C(=O)c1ccc2c(c1)NC(=O)CCS2 12550536 HNVJULJZKZUXFX-UHFFFAOYSA-N 411.527 3.230 0 40 HGAB O=C(CCC(=O)c1cccs1)NCCC(=O)N1CCC[C@@H]1c1nc2ccccc2[nH]1 12628285 ZHICIXAHFZQIRI-QGZVFWFLSA-N 424.526 3.457 0 40 HGAB CC(=O)Nc1ccc(NC(=O)CCn2nc(-c3cccs3)oc2=O)cc1Cl 12737841 IKFJSSVGVASNLR-UHFFFAOYSA-N 406.851 3.205 0 40 HGAB Cc1nnc(SCC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)n1C1CC1 12794626 OODCQTNNJFEUIY-MRXNPFEDSA-N 400.504 3.148 0 40 HGAB COc1ccc(-c2csc(NC(=O)[C@H]3CS[C@@]4(C)CCC(=O)N34)n2)c(OC)c1 13004085 ONFAVXXIUYCHSF-KUHUBIRLSA-N 419.528 3.220 0 40 HGAB Cc1cc(C)cc(C(=O)N2CCN(c3ccc(-n4nc(C)c(C)c4C)nn3)CC2)c1 13008947 YIFGADBBWPZURT-UHFFFAOYSA-N 404.518 3.167 0 40 HGAB CSc1nc(N2CCCCC2)c2cnn(CCNC(=O)c3cccs3)c2n1 13010428 WWGCRJCGBGCMNQ-UHFFFAOYSA-N 402.549 3.030 0 40 HGAB Nc1cccc(S[C@H]2CC(=O)N(c3ccc(I)cc3)C2=O)c1 13576298 YDLUXEAXXBHFOV-AWEZNQCLSA-N 424.263 3.298 0 40 HGAB CC[C@H](C(=O)Nc1ccc2c(c1)OCO2)N(c1cccc(Cl)c1)S(C)(=O)=O 13712224 GLQGVCLPKBJVFG-OAHLLOKOSA-N 410.879 3.252 0 40 HGAB CC[C@H](C(=O)NCCSc1ccccc1)N(c1ccc(F)cc1)S(C)(=O)=O 13715328 HRGWGCGSBFWPFB-GOSISDBHSA-N 410.536 3.279 0 40 HGAB COc1ccc(NC(C)=O)cc1NC(=O)C[C@@H]1CSc2nc(C(C)C)cc(=O)n21 14034091 RROGXOWHQGJHJB-CQSZACIVSA-N 416.503 3.009 0 40 HGAB COc1cc(CN(C)C(=O)CNC(=O)c2ccccc2Cl)ccc1OC(F)F 14200384 DQQMWXLMHPFVHP-UHFFFAOYSA-N 412.820 3.338 0 40 HGAB COc1ccc(C(=O)N2CCc3ccccc3C2)cc1S(=O)(=O)N1CCCCC1 14291843 LYYLIRONFCDTDN-UHFFFAOYSA-N 414.527 3.068 0 40 HGAB Cc1cc(C)c(S(=O)(=O)N(CC(=O)NC2CC2)Cc2ccc(F)cc2)c(C)c1 14354034 HPYQBSLYNFNNNJ-UHFFFAOYSA-N 404.507 3.220 0 40 HGAB Cn1c(=O)c2c(-c3ccccc3Cl)n(-c3ccc4c(c3)OCO4)cc2n(C)c1=O 15083258 LSWUOPVYJHXLGZ-UHFFFAOYSA-N 409.829 3.077 0 40 HGAB Cc1cc(NC(=O)COC(=O)c2cc(=O)[nH]c3ccccc23)ccc1Br 15879563 FMJZNFGMTCZUOO-UHFFFAOYSA-N 415.243 3.395 0 40 HGAB O=c1oc(-c2ccc(F)cc2)nn1Cc1cc2c(cc1Br)OCCO2 16278344 BUOYSTXTEPIQAI-UHFFFAOYSA-N 407.195 3.224 0 40 HGAB CCN(CC)S(=O)(=O)c1cccc(C(=O)NCCCOc2cccc(C)c2)c1 16709109 VAKBURVIDCHZBU-UHFFFAOYSA-N 404.532 3.224 0 40 HGAB O=C(NCCC[C@@H]1CCOC1)C1(C[C@@H]2CC(c3cccc(F)c3)=NO2)CCOCC1 19293667 GZGLCVWCIVVRGA-XLIONFOSSA-N 418.509 3.439 0 40 HGAB O=C(NC1CCCC1)c1ccc2c(=O)n3c(nc2c1)CCN(Cc1ccccc1)CC3 19372420 IFLCXNWDWPWKCH-UHFFFAOYSA-N 416.525 3.127 0 40 HGAB CCC[C@@]1(C(=O)OC)N[C@@H](c2cccs2)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]21 19502072 GDKMBQIZOMERJG-NWZZKEMCSA-N 416.474 3.049 0 40 HGAB COCC(=O)N1CC[C@@](Cc2ccc(-c3ccccc3)cc2)(C(=O)N2CCCC2)C1 19592702 POVXUKKRIQNTER-VWLOTQADSA-N 406.526 3.384 0 40 HGAB CN1CCN(C[C@@H](O)Cn2c3ccccc3c3cc(Br)ccc32)CC1 19891727 HENAKKLFJXLKOJ-MRXNPFEDSA-N 402.336 3.165 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)[C@H](C)Oc1ccccc1C 20456082 HRWZPQLPGWENPA-INIZCTEOSA-N 418.515 3.194 0 40 HGAB CCc1cccc(CC)c1NC(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C 20456230 WSBBKRSRUUBKFY-UHFFFAOYSA-N 407.511 3.202 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)c2cc(Cl)ccc2OC)cc1 22227096 LDMPDALETSVXQV-UHFFFAOYSA-N 424.950 3.352 0 40 HGAB CCn1c(C)cc(O)c([C@@H](c2ccc(C)cc2)N2CCN(c3ccccn3)CC2)c1=O 22697240 OPYHHWCOGQWUAV-XMMPIXPASA-N 418.541 3.497 0 40 HGAB CN(Cc1ccsc1)C(=O)CN1CCN(Cc2nc3ccccc3s2)CC1 22780430 WZJCPTDSDBPKPX-UHFFFAOYSA-N 400.573 3.134 0 40 HGAB CN(CCNC(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1)c1ccccc1 24241708 OQDKWVURXKZYTH-UHFFFAOYSA-N 423.538 3.378 0 40 HGAB CC(C)(C)c1cc(NC(=O)Cc2ccc(Cl)cc2)n([C@@H]2CCS(=O)(=O)C2)n1 24864057 LYSVGLRKJYUTQR-OAHLLOKOSA-N 409.939 3.375 0 40 HGAB COc1ccccc1/C=C/C(=O)N1CCN(Cc2nc(-c3ccc(C)cc3)no2)CC1 24969979 PRSGUABRIMUSAB-VAWYXSNFSA-N 418.497 3.411 0 40 HGAB Cc1cc(=O)c(C(=O)NC[C@@H](c2ccsc2)N(C)C)nn1-c1ccc(Cl)cc1 25813069 RPUOOLNRDFGYOU-KRWDZBQOSA-N 416.934 3.289 0 40 HGAB CS(=O)(=O)N1CCc2cc(C(=O)Nc3cccc(OCc4ccccn4)c3)ccc21 26246812 SARDMXPVCILTNK-UHFFFAOYSA-N 423.494 3.235 0 40 HGAB Cc1nc(-c2ccccc2)[nH]c(=O)c1CCC(=O)N1CCN(C)C[C@H]1c1ccccc1 26937093 LXCITDCWSBDZKI-QFIPXVFZSA-N 416.525 3.193 0 40 HGAB O=C(c1ccc(Cl)cc1N1CCCC1=O)N1CCN(Cc2ccsc2)CC1 28317505 PXMNCNMKAPTLIW-UHFFFAOYSA-N 403.935 3.486 0 40 HGAB O=c1[nH]c2ccc(S(=O)(=O)Nc3ccc(-c4cn5ccsc5n4)cc3)cc2o1 32686411 JBQPJYMIHNXGII-UHFFFAOYSA-N 412.452 3.298 0 40 HGAB O=C(Cc1csc(-c2cccc(Br)c2)n1)NCCC(=O)N1CCCC1 32721375 AZWHTDBBGJBSGE-UHFFFAOYSA-N 422.348 3.244 0 40 HGAB Cc1cccc(-c2nnc(SCC(=O)Nc3cc(C)ccc3C)n2CC(N)=O)c1 32741927 FNTOCFSJCUFXPS-UHFFFAOYSA-N 409.515 3.086 0 40 HGAB CN(C)S(=O)(=O)c1ccc(CNC(=O)N2CCC(Cc3ccccc3)CC2)s1 32863229 HADIGDFFPKDNPK-UHFFFAOYSA-N 421.588 3.163 0 40 HGAB C[C@H]1C[C@@H](OC[C@H](O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)CC(C)(C)C1 35088574 DTSWGECSRZRXQY-CEWLAPEOSA-N 418.578 3.125 0 40 HGAB CCc1cccc(C)c1-n1nnnc1[C@](C)(CC)N1CCN(C(=O)c2ccco2)CC1 35622261 RDFFELPNGOMJDQ-QHCPKHFHSA-N 422.533 3.209 0 40 HGAB CC[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)N2CCc3ccccc3C2)C1=O 36876092 QQJYLJXQFDDAHF-QFIPXVFZSA-N 411.889 3.082 0 40 HGAB C[C@H](c1nc(Cc2ccccc2)no1)N1CCN(C(=O)c2cc(F)cc(F)c2)CC1 40087430 ZNQXQQUVNKSILW-OAHLLOKOSA-N 412.440 3.458 0 40 HGAB COC(=O)CN(Cc1ccccc1Cl)CN1C(=O)NC2(C1=O)[C@@H](C)CCC[C@@H]2C 40158192 NZSCTYJQYIHIPD-GJZGRUSLSA-N 421.925 3.019 0 40 HGAB COc1ccc(N2C[C@H](C(=O)N[C@H](c3nc4ccccc4[nH]3)C(C)C)CC2=O)cc1 44668973 ASJWYVMIZBEFHV-VFNWGFHPSA-N 406.486 3.438 0 40 HGAB Cc1nc(C2(NC(=O)Cn3c(=O)n(C4=CCCCC4)c4ccccc43)CCCC2)no1 48276252 BQJYYPVAWDVRBE-UHFFFAOYSA-N 421.501 3.495 0 40 HGAB CC(C)CCNC(=O)Cn1c(=O)n(Cc2ccc(Cl)cc2)c(=O)c2ccccc21 57473066 DNBJPMBCVZWBFS-UHFFFAOYSA-N 413.905 3.027 0 40 HGAB COc1ccc(CSc2nnnn2-c2ccc(O)cc2)c(Br)c1OC 58377307 OQGMUDOIMMWVKJ-UHFFFAOYSA-N 423.292 3.440 0 40 HGAB COc1ccccc1N1CCN(CCCS(=O)(=O)c2ccc(Cl)cc2)CC1 58391920 FWFJOISRKVSRTC-UHFFFAOYSA-N 408.951 3.335 0 40 HGAB Cc1c(C(=O)NC2CCCC2)nnn1-c1cccc2c1CCN(C(=O)NC(C)(C)C)C2 69846853 BENQRCKQOITCIQ-UHFFFAOYSA-N 424.549 3.114 0 40 HGAB COc1ccc(-c2[nH]ncc2C(=O)NC2CCN(Cc3ccccc3)CC2)cc1OC 72329297 OHSITWFJKWQMEH-UHFFFAOYSA-N 420.513 3.488 0 40 HGAB Cc1cc(Nc2cnccn2)cc([C@@H]2CCCN(CC(=O)N3CCC(C)CC3)C2)n1 72374861 BDXCVYQBWJEIKI-LJQANCHMSA-N 408.550 3.362 0 40 HGAB NC(=O)c1ccc(-c2cnc(N)nc2[C@H]2CCCCN2C(=O)c2ccccc2)cc1 72376803 FEEANURSFOTQBG-LJQANCHMSA-N 401.470 3.192 0 40 HGAB Cc1c(C(=O)N2CCC[C@@H](c3nc[nH]n3)C2)cnn1-c1cccc(C(F)(F)F)c1 79016150 FJIDMWYETYFPBY-CYBMUJFWSA-N 404.396 3.337 0 40 HGAB COCC[C@H](C)N1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 79072636 WREVCEGIBWZDKN-LBPRGKRZSA-N 414.877 3.090 0 40 HGAB COc1ccc(CCc2n[nH]c(NC(=O)c3cc4ccccc4n3C)n2)cc1OC 79495099 SQGGTEQMSVBDMJ-UHFFFAOYSA-N 405.458 3.351 0 40 HGAB CS(=O)(=O)c1ccc(C(=O)Nc2cc(F)ccc2NC(=O)c2ccccn2)cc1 95954505 VBBXAQFJVHVVQV-UHFFFAOYSA-N 413.430 3.129 0 40 HGAB O=C(NCCn1nc(-c2cccs2)n(C2CC2)c1=O)c1ccc(-n2cccc2)cc1 96096609 KCFAAOYQJACOAB-UHFFFAOYSA-N 419.510 3.329 0 40 HGAB Cc1cc(C)nc(-n2[nH]c3ncc4c(c3c2=O)C[C@@H](c2ccc(F)cc2)CC4=O)n1 100137676 YWQVOXVQDUGHPI-CQSZACIVSA-N 403.417 3.172 0 40 HGAB COC(=O)Cn1/c(=N/C(=O)c2ccccc2Br)sc2ccccc21 100876257 KOPHPSDVWABJQB-ZPHPHTNESA-N 405.273 3.379 0 40 HGAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2cccc(Cl)c2Cl)cc1 107538930 YQESQIYWRNPBNF-SNVBAGLBSA-N 403.287 3.308 0 40 HGAB CC[C@@H](C(=O)NCCCc1ccc(OC)cc1)N(c1ccc(F)cc1)S(C)(=O)=O 219111534 NQKULBFUPIIUNP-FQEVSTJZSA-N 422.522 3.128 0 40 HGAB COC(=O)c1cn(C(=O)[C@@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)c2ccccc12 222597483 NOCCIQLBJDGRAC-CYBMUJFWSA-N 418.446 3.062 0 40 HGAB CC[C@H](C(=O)NC)N(Cc1ccccc1)C(=O)CN1C(=O)c2cccc3cccc1c23 222943587 PVJHHBOBAWWDBM-HXUWFJFHSA-N 415.493 3.353 0 40 HGAB CC(C)c1ccccc1OCCNC(=O)CCCN(C)S(=O)(=O)c1ccccc1 223797787 CLBAZEBPIFGHMO-UHFFFAOYSA-N 418.559 3.406 0 40 HGAB COC(=O)CN(c1cc(OC)c(Cl)cc1OC)S(=O)(=O)c1ccc(C)cc1 224699478 FCMJEPYCDUCWCI-UHFFFAOYSA-N 413.879 3.034 0 40 HGAB CC[C@@H](C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)COc1ccc(OC)cc1 225420734 IMEAAMQNGYCWSO-RTBURBONSA-N 412.530 3.449 0 40 HGAB COc1cccc(CN(C(=O)COc2ccccc2F)[C@H](C)C(=O)NC(C)C)c1 225665074 QNAPHGIPECFKCW-MRXNPFEDSA-N 402.466 3.155 0 40 HGAB CCN(CC(=O)N(C)c1ccc(C)c(C)c1)S(=O)(=O)c1cc(C)ccc1OC 226055900 DTAIHMROGZHIFS-UHFFFAOYSA-N 404.532 3.294 0 40 HGAB COc1ccc(CNC(=O)NC[C@](O)(c2ccoc2)c2cccs2)cc1OC 238957397 YCLIYBVQJDYVSL-FQEVSTJZSA-N 402.472 3.094 0 40 HGAB COc1cccc([C@]2(O)CCC[C@H]3CN(S(=O)(=O)c4ccccc4F)C[C@H]32)c1 248257826 UGSOYORNTHRSMM-RRMPHLOHSA-N 405.491 3.143 0 40 HGAB O=C(CN1CCN(c2ccccc2)C1=O)N1CC[C@H](Oc2ccc3ccccc3n2)C1 252482621 DLHJJFQYTMFTET-FQEVSTJZSA-N 416.481 3.157 0 40 HGAB CN(C)C(=O)c1sc2nccnc2c1[C@H]1CCN(C(=O)c2cc(F)cc(F)c2)C1 257276751 NUYQBCXMVRNYET-NSHDSACASA-N 416.453 3.301 0 40 HGAB CC(=O)N1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)N2C(=O)CN1CCCC1 257285370 PGTJXFHSXLDYMB-ACUMWEPGSA-N 409.574 3.084 0 40 HGAB COc1ccc(-c2csc(NC(=O)CN3CC[C@]4(CCCO4)[C@H](OC)C3)n2)cc1 257289002 PWOSLNNRMBGAGK-WIYYLYMNSA-N 417.531 3.027 0 40 HGAB O=C(NCCn1nc([C@H]2CCCN(Cc3ccccc3F)C2)c2cccnc21)C1CC1 257296282 RCBGQMXKHKOPFI-IBGZPJMESA-N 421.520 3.476 0 40 HGAB CC[C@H](NC(=O)[C@H](C)Oc1ccc(N(C)S(C)(=O)=O)cc1)c1ccccc1C 260773043 ZACAQTMKKDTCSU-JXFKEZNVSA-N 404.532 3.426 0 40 HGAB COC(=O)c1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 408554246 CAKSXMNSBUEHKP-UHFFFAOYSA-N 422.890 3.163 0 40 HGAB CCc1ccccc1N1C[C@@H](C(=O)Oc2ccc(N3C(=O)CCC3=O)c(C)c2)CC1=O 408643232 QRCNUQGMWPLAMO-KRWDZBQOSA-N 420.465 3.169 0 40 HGAB CCOc1ccc(C(=O)Nc2cc(C)ccc2OC)cc1S(=O)(=O)NC(C)C 408700837 MQXQDYLVVPIHJF-UHFFFAOYSA-N 406.504 3.341 0 40 HGAB CC[C@H](C)NC(=O)[C@H](CC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1 409001854 LDDYCXBMUYZOBN-PXNSSMCTSA-N 412.486 3.330 0 40 HGAB Cc1ccc(C(=O)N[C@H](C)c2nnc(SCC(=O)Nc3ccccc3)n2C)cc1 409133776 RTJJGDYRUVOZJO-OAHLLOKOSA-N 409.515 3.345 0 40 HGAB COc1ccc(NC(=O)[C@@H](C)NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 409389661 IBAYDFCEJLFZQX-SNVBAGLBSA-N 403.287 3.308 0 40 HGAB O=C(CN1CCOC2(CCOCC2)CC1)N[C@H](Cc1ccccc1)c1ccccc1 545974953 RGWAMYNXSOHSCP-HSZRJFAPSA-N 408.542 3.358 0 40 HGAB Cc1cc(Cl)c(C)c(S(=O)(=O)NCC(C)(C)[C@@]2(O)CCCOC2)c1Cl 1192886487 XCTODDGCJDPUFB-QGZVFWFLSA-N 410.363 3.456 0 40 HGAB C[C@@H](Oc1ccccc1Br)C(=O)NC1(C(=O)NCC2CC2)CCCC1 1514601237 RNMCBCVJBSJPQU-CYBMUJFWSA-N 409.324 3.172 0 40 HGAB Cc1ncc(C(=O)N2CCC[C@@H]3NC(=O)c4ccccc4OCCC=CC[C@@H]32)c(C)n1 1615525608 IRBVCOXJDLJHMN-SFTDATJTSA-N 420.513 3.225 0 40 HGAB O=C(c1cccc(-c2nc(=O)o[nH]2)c1)N1CCc2c(Br)ccc(F)c2C1 1638191733 LUTBMPSWTKJHKA-UHFFFAOYSA-N 418.222 3.130 0 40 HGAB O=C(Nc1ccccc1)N1CC[C@H](COc2ccc3nnc(C(F)(F)F)n3n2)C1 1888910647 JXZJHAVBNJLYEN-LBPRGKRZSA-N 406.368 3.076 0 40 HGAB COc1ccc(CCN(Cc2cc3ccc(C)cc3n3nnnc23)C(C)=O)cc1OC 1367343 AHWGWSLGTZDASF-UHFFFAOYSA-N 419.485 3.194 0 40 HGAB COc1ccc(Cc2nn3c(-c4cc(OC)c(OC)c(OC)c4)nnc3s2)cc1 2208072 KWYXLYJVJROSKE-UHFFFAOYSA-N 412.471 3.478 0 40 HGAB Cc1sc2nc(SCC(=O)Nc3ccc4c(c3)OCCO4)n(C)c(=O)c2c1C 2388985 OOXSYZAOSLXHKT-UHFFFAOYSA-N 417.512 3.114 0 40 HGAB O=C(CN1C(=O)c2ccccc2S1(=O)=O)Nc1ccc(Cl)c(C(F)(F)F)c1 3241033 ZQEOBDYPWIQNRH-UHFFFAOYSA-N 418.780 3.142 0 40 HGAB COc1ccc(C(=O)OCC(=O)N(Cc2ccccc2)C(C)C)c(OC)c1OC 3320466 CWZJAFMTZNKKLH-UHFFFAOYSA-N 401.459 3.306 0 40 HGAB COCCOC(=O)c1sc2ncn(CCCOc3ccccc3)c(=O)c2c1C 4487085 XZYGDIHSQGMYOT-UHFFFAOYSA-N 402.472 3.039 0 40 HGAB Cc1occc1-c1nnc(SCC(=O)N2CCC[C@@H](C)C2)n1C[C@@H]1CCCO1 4860256 WEMOYMPDRWJFCW-ZBFHGGJFSA-N 404.536 3.376 0 40 HGAB COCCCn1c(C)cc(C(=O)CSc2nnnn2-c2ccc(OC)cc2)c1C 5029754 QTPZKCXBKVKMTO-UHFFFAOYSA-N 415.519 3.101 0 40 HGAB COc1cc2c(cc1OC)CN(c1nc3ccccc3nc1N1CCOCC1)CC2 5346940 QQILZEDWEZDDIF-UHFFFAOYSA-N 406.486 3.046 0 40 HGAB CCOc1ccc(C(=O)Nc2cc(C(=O)OC)ccc2C(=O)OC)cc1OCC 5466509 QZJFMNYXVPIRNQ-UHFFFAOYSA-N 401.415 3.310 0 40 HGAB O=C(COC(=O)CCc1ccccc1)Nc1ccc(I)cc1 6375695 BRBUEDYCSLFGFV-UHFFFAOYSA-N 409.223 3.406 0 40 HGAB O=C(Cc1c[nH]c2ccccc12)OCc1cc(=O)n2cc(Br)ccc2n1 6383935 YWZLYOMELWCPGV-UHFFFAOYSA-N 412.243 3.224 0 40 HGAB NC(=O)c1c(NC(=O)CSc2nnc(Cc3ccccc3)o2)sc2c1CCC2 6543921 KHDHIPIWPKPYGY-UHFFFAOYSA-N 414.512 3.040 0 40 HGAB COc1cccc(C(=O)c2cnc3sc(C(=O)N4C[C@H](C)O[C@@H](C)C4)c(C)n23)c1 6664262 NHAZSGLKYOZBGV-STQMWFEESA-N 413.499 3.193 0 40 HGAB Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)c1C 6767831 IXDCFUGVLFYGBU-UHFFFAOYSA-N 402.516 3.193 0 40 HGAB NC1=Nc2nc3ccccc3n2[C@@H](c2cn(-c3ccccc3)nc2-c2ccncc2)N1 7030625 LRHSQZGSKYBTQM-NRFANRHFSA-N 406.453 3.380 0 40 HGAB c1ccc(Cn2c(SCc3cn4ccccc4n3)nnc2N2CCOCC2)cc1 7073428 HFVSJWVXQAQXLV-UHFFFAOYSA-N 406.515 3.103 0 40 HGAB C[C@H](OC[C@H](O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)c1ccc(Cl)cc1 7195405 WSPMRBQEYDSYBB-OHOGDBNVSA-N 414.889 3.172 0 40 HGAB Cc1ccccc1OCC(=O)Nc1sc2c(c1C(=O)N1CCOCC1)CCCC2 7214311 LOCCRPABROJBOK-UHFFFAOYSA-N 414.527 3.425 0 40 HGAB O=C(Nc1ccc(C(=O)N2CCN(C(=O)c3cccs3)CC2)cc1)c1ccco1 8312213 PHODOAXRGKSQQG-UHFFFAOYSA-N 409.467 3.192 0 40 HGAB O=C(CSc1nnnn1C1CCCC1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 8323906 ZXGIPVCORHCYLD-MRXNPFEDSA-N 415.519 3.015 0 40 HGAB CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2ccc(Cl)cc2F)C1=O 8480829 QWMZODIDCFPNJT-IBGZPJMESA-N 407.804 3.414 0 40 HGAB COc1ccc(C(=O)OCc2cccc(Cl)c2)cc1S(=O)(=O)N1CCCC1 8882010 JRGQMUPNEGGDNY-UHFFFAOYSA-N 409.891 3.490 0 40 HGAB COCCn1cc(C(=O)Nc2cccc(F)c2)c2nn(-c3ccccc3)c(=O)c-2c1 9661591 URRKIWSECCUADD-UHFFFAOYSA-N 406.417 3.177 0 40 HGAB CCOC(=O)c1sc2nc(NC(=O)c3ccc(S(C)(=O)=O)cc3)sc2c1C 9712780 JROKXWIIVOYADA-UHFFFAOYSA-N 424.525 3.499 0 40 HGAB CCc1nnc(NC(=O)CSc2nnc(NC(=O)Nc3ccccc3)s2)s1 9744137 SILXZNURERKZDO-UHFFFAOYSA-N 421.533 3.327 0 40 HGAB C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccco1)c1ccc2c(c1)OCCO2 9883744 VHMLSWSHYWGRJQ-VQIMIIECSA-N 420.465 3.269 0 40 HGAB COc1ccc(NC(=O)CSc2nccn(-c3ccc(F)cc3)c2=O)cc1OC 10272701 QUOVEBHRGPYUCV-UHFFFAOYSA-N 415.446 3.120 0 40 HGAB O=C(c1cccc(C(F)(F)F)c1)N1CCC(NS(=O)(=O)c2cccs2)CC1 11450528 DXIGNSJHRRUYBN-UHFFFAOYSA-N 418.462 3.350 0 40 HGAB O=S(=O)(c1ccc(Br)cc1)N1CCC(c2nnc3ccccn23)CC1 12388976 LLMMGAVGVUSBDO-UHFFFAOYSA-N 421.320 3.060 0 40 HGAB CCc1nnc(-c2ccc(NC(=O)[C@H]3CC(=O)N(c4ccc(OC)cc4)C3)cc2)o1 12443900 BTTDDEDPXIEOAN-HNNXBMFYSA-N 406.442 3.299 0 40 HGAB C[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(N2CCCCC2)cc1 12548923 CQNOCLBMIKXORR-OAHLLOKOSA-N 405.495 3.122 0 40 HGAB CC(=O)Nc1ccc(CC(=O)N2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)cc1 12751402 MIYFPUIHRSGSMG-UHFFFAOYSA-N 422.481 3.080 0 40 HGAB COc1cc(COC(=O)c2sc3ncn(C)c(=O)c3c2C)ccc1OC(F)F 12823653 ITIGQZVYJUIMPQ-UHFFFAOYSA-N 410.398 3.270 0 40 HGAB Cc1ccccc1[C@H](C)NC(=O)[C@@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1 12851921 OXWDALIEFGSKCQ-DLBZAZTESA-N 411.527 3.033 0 40 HGAB Cc1ccc([C@@H](OC[C@@H](O)Cn2cnc3ncccc3c2=O)c2ccccc2)cc1 12865898 VVODODGUUWSEMZ-UNMCSNQZSA-N 401.466 3.267 0 40 HGAB COC(=O)[C@H]1CN(C(=O)c2ccc(Cl)c(N3CCCC3=O)c2)c2ccccc2O1 13001386 MQFWHDIYHNYBII-GOSISDBHSA-N 414.845 3.048 0 40 HGAB CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)[C@H]1COc2ccccc2O1 13095321 KZDNLYIFRSKPPE-GOSISDBHSA-N 413.861 3.155 0 40 HGAB CCOC(=O)c1c(NC(=O)COC(=O)[C@@]2(C)CC2(Cl)Cl)oc(C)c1C(C)=O 13134582 NMHNGMBQJYMOBL-MRXNPFEDSA-N 420.245 3.033 0 40 HGAB Nc1ccccc1CNC(=O)/C(=C/c1cccnc1)NC(=O)c1ccc(Cl)cc1 13576867 VIISVKCZAQMYSG-NDENLUEZSA-N 406.873 3.405 0 40 HGAB CCS(=O)(=O)N1CCc2cc(C(=O)Nc3cccc(Br)c3)ccc21 13610205 JZKYZNRAUSTCIX-UHFFFAOYSA-N 409.305 3.414 0 40 HGAB Cc1ccc(N(CCCC(=O)Nc2ccc3c(c2)OCO3)S(C)(=O)=O)cc1C 13681630 WZLDYPSZWUUFDJ-UHFFFAOYSA-N 404.488 3.217 0 40 HGAB O=C(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)NCCSCc1cccc(Cl)c1 13688746 JAAAYOITQGVGOJ-CALCHBBNSA-N 406.935 3.031 0 40 HGAB C[C@@H](CCc1ccccc1)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 14184415 GKDXOOWSXUCWBY-PKOBYXMFSA-N 418.534 3.364 0 40 HGAB CN(C)C(=O)[C@H]1CN(C(=O)COc2ccc(Cl)cc2Cl)c2ccccc2O1 14197610 CKNJVRDAKBJDOT-QGZVFWFLSA-N 409.269 3.255 0 40 HGAB CCOC(=O)c1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1C 14908804 MIOPALWVHHFXOW-UHFFFAOYSA-N 416.499 3.209 0 40 HGAB C[C@@H](NC(=O)c1cccc(S(=O)(=O)NC2CC2)c1)C12CC3CC(CC(C3)C1)C2 17355789 OJMOKFVWHREOSO-XSXQVXRUSA-N 402.560 3.462 0 40 HGAB Cc1ccc2c(c1)C(=O)N(CC(=O)NC1CCCCCC1)CC1(CCN(C)CC1)O2 19218573 GATLVVAZLRJZCU-UHFFFAOYSA-N 413.562 3.133 0 40 HGAB Cc1nc2ccccc2n1[C@@H](C)C(=O)N(CCN(C)C)Cc1ccc2c(c1)OCO2 19286635 MCMYCTGHTDXNCT-INIZCTEOSA-N 408.502 3.225 0 40 HGAB O=C(c1ccco1)N1CCN([C@H](c2ccccc2F)c2nnnn2C2CCCC2)CC1 19347815 QALZPQNOVKEFRA-HXUWFJFHSA-N 424.480 3.068 0 40 HGAB Cc1nc(CC(=O)N2CCC[C@@H](c3ccc(C(=O)N4CCCCC4)cn3)C2)cs1 19705556 DSFXHSZFSMNJSK-GOSISDBHSA-N 412.559 3.421 0 40 HGAB COc1cc(OC)cc(-c2nnc(NC(=O)c3cc(C)nc4c3c(C)nn4C)s2)c1 19716119 REJPYTLERBBCPR-UHFFFAOYSA-N 424.486 3.373 0 40 HGAB CSc1ccc([C@@H](C)NC(=O)CN(Cc2ccc(F)cc2)S(C)(=O)=O)cc1 20015363 WJEQOQKMKVXSEY-CQSZACIVSA-N 410.536 3.187 0 40 HGAB COc1ccc(CNC(=O)CN2c3ccc(C)cc3-c3ccccc3S2(=O)=O)cc1 20063066 XBHGQNQSCHPJRI-UHFFFAOYSA-N 422.506 3.496 0 40 HGAB COc1cc(CCC(=O)C[C@H]2c3c(cc4c(c3OC)OCO4)CCN2C)ccc1O 20111800 UYUWUIMYTRYHCC-KRWDZBQOSA-N 413.470 3.259 0 40 HGAB biogenic Cc1ccc(C(=O)[C@H]([C@H](c2cccs2)N2CCOCC2)N2CCOCC2)cc1 21670204 BNKNETILKVSMCR-SFTDATJTSA-N 400.544 3.014 0 40 HGAB CCOc1cc(CNCc2ccc(OC)cc2)cc(Br)c1OCC(N)=O 22076765 MIIZHOPJFYXOOT-UHFFFAOYSA-N 423.307 3.010 0 40 HGAB CCc1ccc(NC(=O)[C@@H](C)N2CCN(CCOc3ccc(OC)cc3)CC2)cc1 22772797 XXZREPZHVKZYOE-LJQANCHMSA-N 411.546 3.281 0 40 HGAB Cc1ccc(-c2noc(CN3CCN(CC(=O)Nc4c(C)cccc4C)CC3)n2)cc1 22840183 COEKFVXRDDBSQH-UHFFFAOYSA-N 419.529 3.418 0 40 HGAB CCOc1ccc(C(=O)c2ccccc2C(=O)N2CCC(C(N)=O)CC2)cc1OCC 24599599 JSDDCMGNRKOHCP-UHFFFAOYSA-N 424.497 3.053 0 40 HGAB C[C@@H]1C[C@@H](OC[C@H](O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)CC(C)(C)C1 35088570 DTSWGECSRZRXQY-HMXCVIKNSA-N 418.578 3.125 0 40 HGAB CN(CC(=O)N(C1CCCCC1)[C@H]1CCS(=O)(=O)C1)[C@H]1CCCc2ccccc21 36423584 CKOCVRFKNNNDOY-UNMCSNQZSA-N 418.603 3.344 0 40 HGAB COc1ccc(CN2C(=O)[C@@H](CCC(=O)Nc3cccc(Cl)c3)N=C2O)cc1 36594837 GPEKZMQTFQGABI-QGZVFWFLSA-N 401.850 3.392 0 40 HGAB Cn1nc(NC(=O)c2cc(-c3ccccc3)on2)c2c1NC(=O)C[C@@H]2c1ccco1 36705566 CPXPVRBTOKYLJV-CYBMUJFWSA-N 403.398 3.395 0 40 HGAB CCOC(=O)[C@@H]1CSCCN1S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 40086239 MBQVVWXIDMQTHL-LBPRGKRZSA-N 417.858 3.028 0 40 HGAB C#CCOc1ccc(CCNC(=O)[C@H](OCC#C)c2ccc(Cl)cc2)c(OC)c1 43199380 IQHQPCJSVRKTPY-JOCHJYFZSA-N 411.885 3.410 0 40 HGAB Cc1nc(-c2ccccc2)cc(N2CCN(CC(=O)Nc3ccccc3F)CC2)n1 49597432 HFVKWXQGXWRMMX-UHFFFAOYSA-N 405.477 3.352 0 40 HGAB O=C(CCCCc1nc2ccccc2s1)N1CCC[C@H](C(=O)N2CCOCC2)C1 54827579 HGFQHTOWELZLHT-KRWDZBQOSA-N 415.559 3.107 0 40 HGAB Cn1c(N2CCN(Cc3ccccc3)CC2)nc2sc3c(c2c1=O)CC(C)(C)OC3 57160017 CFRYMGVVWWPCEB-UHFFFAOYSA-N 424.570 3.169 0 40 HGAB Nc1nc(SCC(=O)N2N=C3/C(=C\c4ccco4)CCC[C@H]3[C@H]2c2ccco2)n[nH]1 61945287 MVXYVZRYAOLSFW-HMSRSJDVSA-N 424.486 3.488 0 40 HGAB Cc1nn2cc(CCCOC(=O)c3nn(C(C)C)c(=O)c4ccccc34)cnc2c1C 65589385 SXNQRGHFZVPAAD-UHFFFAOYSA-N 419.485 3.427 0 40 HGAB CCCCN1C(=O)CC[C@@H](C(=O)NCC2(O)CCCC2)[C@H]1c1ccccc1OC 72284863 RGXHPWVWSVWVJO-WIYYLYMNSA-N 402.535 3.196 0 40 HGAB COc1ccc(CN2CCC[C@H](c3cc(=O)[nH]c(-c4cccnc4)n3)C2)cc1OC 72393066 GSSDKRYZVJYVFM-SFHVURJKSA-N 406.486 3.229 0 40 HGAB Cc1ccc(O[C@H](C)C(=O)N2CCC([C@@H]3C[C@H](C(F)F)n4ncnc4N3)CC2)cc1 72395683 WFVNPBYNVDUPAB-FHLIZLRMSA-N 419.476 3.283 0 40 HGAB COc1ccc(-c2nc(NC(=O)c3coc(S(=O)(=O)N(C)C)c3)sc2C)cc1 89556196 VOCZOJXWDWGIQW-UHFFFAOYSA-N 421.500 3.223 0 40 HGAB CC(C)C[C@@H](NC(=O)CCN1C(=O)[C@H]2CCCC[C@H]2C1=O)c1nc2ccccc2[nH]1 95959426 VXMNMIAXHCJYFC-JTDSTZFVSA-N 410.518 3.332 0 40 HGAB CC(C)C(=O)N1CCC2(CC1)O[C@H](C(=O)Nc1cccc(Cl)c1)Cn1ccnc12 96144664 DISKQXVJUKUFRH-KRWDZBQOSA-N 416.909 3.048 0 40 HGAB COC(=O)C1(NC(=O)N2CCCC3=C[C@H]4C[C@H](CN5CCCC[C@H]45)[C@@H]32)CCCCC1 98063891 AXQFVZANACODJQ-DOIPELPJSA-N 415.578 3.467 0 40 HGAB COc1ccc(CNC(=O)[C@H]2[C@H]3CC[C@@]4(CC(=O)c5ccccc5O4)[C@@H]32)cc1OC 100124466 NJSSWXZFUOZIBC-DQAOFOOOSA-N 407.466 3.380 0 40 HGAB COc1cccc(CNC(=O)[C@@H]2[C@H]3CC[C@@]4(CC(=O)c5ccccc5O4)[C@@H]32)c1OC 100124744 YYNWUEYAZSSTND-SULFGKICSA-N 407.466 3.380 0 40 HGAB CO[C@H]1CC[C@H](C(=O)NC[C@H]2CC[C@H](c3nnc(-c4cnc(C)cn4)o3)CC2)CC1 100156177 SYHZYGWECQDALG-BALXVJCKSA-N 413.522 3.430 0 40 HGAB Cc1ccc(NC(=O)CN2N=N[C@H]3C(=O)N(c4ccc(C(C)C)cc4)C(=O)[C@H]32)cc1 101168465 LNSJSJPJXKGNAU-UXHICEINSA-N 405.458 3.050 0 40 HGAB O=C(c1cnn(-c2ccccc2)n1)N1CCS[C@@H](c2ccc3c(c2)OCO3)CC1 219168113 FSUQCLGMCZBJGK-HXUWFJFHSA-N 408.483 3.316 0 40 HGAB Cc1ccccc1OC[C@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 219258649 VLEDTPWRAUEXKV-IRXDYDNUSA-N 422.572 3.041 0 40 HGAB CC[C@H](NC(=O)CCc1ccc2c(c1)OCCO2)c1ccc(S(C)(=O)=O)cc1 222646337 UXMQHMUWZGXABW-SFHVURJKSA-N 403.500 3.061 0 40 HGAB CCOc1ccc(-c2noc(CN(C)S(=O)(=O)Cc3ccccc3C)n2)cc1 223625420 DRHZHKIIGOHPDL-UHFFFAOYSA-N 401.488 3.406 0 40 HGAB CC(=O)c1cccc(NS(=O)(=O)c2nnc(NC(=O)c3cccc(C)c3)s2)c1 224374451 XWKFXTDLQXEAFR-UHFFFAOYSA-N 416.484 3.102 0 40 HGAB CC[C@H](C(=O)NC(C)(C)Cc1ccccc1)N(c1ccc(OC)cc1)S(C)(=O)=O 224895980 UJWNXSIBUOIDGW-HXUWFJFHSA-N 418.559 3.377 0 40 HGAB Cn1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c1 225538849 NROADPWAPPWFMQ-NHCUHLMSSA-N 405.527 3.421 0 40 HGAB COc1ccc2c(c1)CCC[C@H]2NC(=S)Nc1cccc(N(C)S(C)(=O)=O)c1 225703740 VNGGCENWQCZWBO-LJQANCHMSA-N 419.572 3.455 0 40 HGAB COc1ccc(OC)c(-c2cc(C(=O)NCC3(OC)Cc4ccccc4C3)n(C)n2)c1 225720351 AAUDNNAMWYXLGU-UHFFFAOYSA-N 421.497 3.018 0 40 HGAB COc1ccc(CCS(=O)(=O)NC[C@](O)(c2ccsc2)c2cccs2)cc1 240122681 WGWGRQYEXOISHC-IBGZPJMESA-N 423.581 3.216 0 40 HGAB CCc1onc(C)c1-c1cccc([C@@H]2CN(C(=O)CN3CCC(C)CC3)CCO2)n1 257298774 RNGIPCPMYWGLIF-NRFANRHFSA-N 412.534 3.239 0 40 HGAB Cc1nc(NC(=O)CN2CCO[C@H](c3ccc(Nc4ccccn4)cn3)C2)sc1C 257326836 WYUGWPAQJMNHCU-SFHVURJKSA-N 424.530 3.306 0 40 HGAB COCCOCC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3N(C)[C@@H]2Cc1ccccc1 257340946 ZIFWHRSSGDHMOQ-CFKFVRPNSA-N 400.563 3.125 0 40 HGAB CCC[C@@H](C)NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(OC)c(C)c1 408549984 AGUYRBTURLDCBN-GOSISDBHSA-N 418.559 3.499 0 40 HGAB CNC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 408615879 UCBHXIFMBRWUAI-LLVKDONJSA-N 406.269 3.345 0 40 HGAB CN1C(=O)CC[C@H](C(=O)Nc2cccc(C(N)=O)c2)[C@@H]1c1ccc(C(F)(F)F)cc1 522320575 AUVMMJZWRFSUIJ-WMZOPIPTSA-N 419.403 3.353 0 40 HGAB CCC[C@]1(CO)CCN(S(=O)(=O)c2cnc3onc(-c4ccccc4)c3c2)C1 562070142 KLODYKSNRPTSHO-FQEVSTJZSA-N 401.488 3.063 0 40 HGAB CNC(=O)CN1CCC[C@H]1c1csc(NC(=O)c2ccc(Br)cc2)n1 585273385 UEPYFBVYWHOGLQ-AWEZNQCLSA-N 423.336 3.041 0 40 HGAB FC(F)(F)c1cccnc1N1C[C@H]2CN(c3ncc(Br)cn3)C[C@@H]2C1 1888866909 WSWKVIDZKYWGIO-QWRGUYRKSA-N 414.229 3.226 0 40 HGAB CC(C)(C)c1cn2nc(OC[C@H]3CCN(c4ncnc5cnccc45)C3)ccc2n1 2087065699 PSJLKIZJBPEXLF-HNNXBMFYSA-N 403.490 3.270 0 40 HGAB CCOc1cc(/C=c2/sc3nc4ccccc4n3c2=O)cc(Cl)c1OC(C)=O 658398 VVHRTSJQRRDODN-LICLKQGHSA-N 414.870 3.434 0 40 HGAB COc1ccc(-c2n[nH]cc2[C@H]2CC(=O)Oc3c2c(=O)n(C)c2ccccc32)cc1 1429547 HWUDNVIYVKNWTR-MRXNPFEDSA-N 401.422 3.378 0 40 HGAB O=C(O)CCNC(=O)/C(=C/c1ccccc1)NC(=O)c1ccc(Cl)cc1Cl 2254040 XLZJBWHRRPPVGH-YBEGLDIGSA-N 407.253 3.355 0 40 HGAB COC(=O)C1=C(N)Oc2cc(C)n(Cc3ccccc3)c(=O)c2[C@@H]1c1ccc(F)cc1 2256388 WLCQLRPKFOTIAF-IBGZPJMESA-N 420.440 3.212 0 40 HGAB COc1cc([C@@H]2NC(=O)c3oc4ccc(Cl)cc4c(=O)c32)cc(OC)c1OC 2433160 RESNZFPFRKNUCB-INIZCTEOSA-N 401.802 3.305 0 40 HGAB COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)NCCCOC(C)C)cc1 3414423 ZNTKOYRUHYJDPJ-UHFFFAOYSA-N 420.531 3.065 0 40 HGAB COC(=O)c1c(NC(=O)COc2cccc(C)c2)sc2c1[C@@H](C(=O)OC)CC2 4038581 ALJFCPFADIJEMB-ZDUSSCGKSA-N 403.456 3.063 0 40 HGAB CCOC(=O)c1ccc(Cn2cnc3sc(C(=O)OCC)c(C)c3c2=O)cc1 4502825 PUSPLZUSTBRPKL-UHFFFAOYSA-N 400.456 3.168 0 40 HGAB CCn1c(COc2ccc(C)cc2C)nnc1SCC(=O)Nc1nnc(C)s1 4519815 YBBZSKSMZHHROF-UHFFFAOYSA-N 418.548 3.385 0 40 HGAB CCN(CC)C(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 4525760 DGPYMXMNDIYAPS-UHFFFAOYSA-N 408.951 3.442 0 40 HGAB O=C(COC(=O)C1=NN(c2ccccc2)C(=O)CC1)Nc1ccc(F)c(Cl)c1 4563295 MYQWLWKDLJRYAV-UHFFFAOYSA-N 403.797 3.144 0 40 HGAB COc1ccc(OC)c(NC(=O)C2=C(C)Nc3ncnn3[C@H]2c2ccccc2F)c1 4704190 JYQLYZOXTGVTPW-IBGZPJMESA-N 409.421 3.362 0 40 HGAB CCOc1ccc(NC(=O)CSc2nnc3ccc(-c4ccncc4)nn23)cc1 5168507 ACZFDIDLXLOUMZ-UHFFFAOYSA-N 406.471 3.316 0 40 HGAB Cc1cc(=O)c(C(=O)N2CCN(c3ccccc3)CC2)nn1-c1ccccc1Cl 5259037 CDOQWQCAJHEKSN-UHFFFAOYSA-N 408.889 3.157 0 40 HGAB Cc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(CCc3ccccc3)C2)cc1Cl 6150483 VZFJHEKRAMPESH-KRWDZBQOSA-N 414.889 3.221 0 40 HGAB Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 6372734 ZVQWBQOMCIVDPF-UHFFFAOYSA-N 402.394 3.153 0 40 HGAB Cc1noc(C)c1COC(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1 6578699 CMHYBQKSNILQGZ-UHFFFAOYSA-N 400.456 3.474 0 40 HGAB O=C(COC(=O)c1ccccc1NC(=O)c1ccccc1)NC(=O)c1cccs1 7211216 IAUUWBLHCLMGCD-UHFFFAOYSA-N 408.435 3.114 0 40 HGAB Cc1ccc(Cn2nccc2NC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)cc1 7696876 SDOHQUHJBUZDGW-UHFFFAOYSA-N 405.426 3.488 0 40 HGAB CCOc1ccccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2cc(C)cc(C)c2)C1 8038135 BHYBXVOYAYFTEN-QGZVFWFLSA-N 410.470 3.237 0 40 HGAB COc1ccc(Br)cc1CN(C)C(=O)Cn1c(=O)oc2ccccc21 8272669 CCOMSOFTUOKJNZ-UHFFFAOYSA-N 405.248 3.024 0 40 HGAB COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)/C=C/c1ccc(OC)c(OC)c1 8745462 LWRWKJNNYFKVSH-JARZOMNASA-N 408.454 3.099 0 40 HGAB O=C(NCc1ccc(F)cc1)C(=O)NC[C@H](c1cccs1)N1CCc2ccccc21 9708269 FLVCUIZXESVWKY-HXUWFJFHSA-N 423.513 3.424 0 40 HGAB CCc1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(Br)cc2)cc1 10041328 JEIUIDRKOQVCIY-LBPRGKRZSA-N 411.321 3.317 0 40 HGAB COc1ccc(Nc2nc(Nc3ccc(C(C)=O)cc3)nc(N3CCOCC3)n2)cc1 11613422 SIHRDVYUGVFRIU-UHFFFAOYSA-N 420.473 3.407 0 40 HGAB CCc1nccn1C[C@H](C)C(=O)N1CCC[C@H](c2nc3ccccc3cc2C(N)=O)C1 12088402 KROCYYWVXFYOFQ-WMZOPIPTSA-N 419.529 3.135 0 40 HGAB COc1cccc(-c2cc(C(=O)N3CCC4(CC3)NC(=O)c3ccccc3N4)no2)c1 12117927 WYNLFZZYZOSRIX-UHFFFAOYSA-N 418.453 3.138 0 40 HGAB Cc1c(C(=O)c2ccccc2)oc2cc(NC(=O)CCn3nc(O)ccc3=O)ccc12 12321284 PHZJQCNDPQRHIC-UHFFFAOYSA-N 417.421 3.263 0 40 HGAB COC(=O)[C@H](C)SC1=Nc2c(cnn2-c2cccc(Cl)c2)C2=NCCCN12 12408048 AETHAPWMUZRZQS-NSHDSACASA-N 403.895 3.274 0 40 HGAB COCCCn1c(C)c(C)c(S(=O)(=O)c2ccccc2)c1NC(=O)[C@H]1CCCO1 12408998 AVPOTKZELUCROK-GOSISDBHSA-N 420.531 3.092 0 40 HGAB CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)Cc1coc2cc(OC)ccc12 12685383 HXFUABLCOCMLBE-UHFFFAOYSA-N 424.453 3.242 0 40 HGAB Cc1cccc(OCC(=O)Nc2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)c1 12799071 BAJKRPSKRSWBNV-KRWDZBQOSA-N 402.516 3.433 0 40 HGAB COC(=O)CC[C@H](NC(=O)[C@H](Sc1ccccc1)c1ccccc1)C(=O)OC 12804145 HBVXVZIOZGLCKJ-PKOBYXMFSA-N 401.484 3.131 0 40 HGAB COc1ccc(CCNC(=O)[C@H](C)[S@](=O)CCOc2cc(C)ccc2C)cc1 12857856 DGQAHHCLPHSYAO-JMQGSBJISA-N 403.544 3.187 0 40 HGAB O=C(CCNC(=O)N1CC(=O)Nc2ccccc21)Nc1ccc(OC(F)(F)F)cc1 13609802 QQGJFEIPVYXRLW-UHFFFAOYSA-N 422.363 3.082 0 40 HGAB CCCCCOc1ccccc1/C=c1\sc2nc(=O)c(-c3ccccc3)nn2c1=O 13619128 FIDRKTKKNJLITD-CYVLTUHYSA-N 419.506 3.295 0 40 HGAB CC[C@H](C(=O)Nc1ccc(Br)cc1F)n1c(=O)[nH]c2ccccc2c1=O 17043710 NOWKNCUSFPATCY-OAHLLOKOSA-N 420.238 3.181 0 40 HGAB C[C@@H](C(=O)NCCn1nc(-c2ccc(F)cc2)cc1-c1cccnc1)n1ccnc1 19080271 ZBSVWNBAWUOJBA-INIZCTEOSA-N 404.449 3.325 0 40 HGAB COc1ccc(CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)c2cc(=O)[nH]c(C)n2)cc1 19240988 UHQQYXXVNGSLNF-NRFANRHFSA-N 416.481 3.211 0 40 HGAB COc1cccc(CC(=O)NCCn2ncc(-c3cnccn3)c2-c2cccs2)c1 19564510 SKQXOGDAPUCRRH-UHFFFAOYSA-N 419.510 3.436 0 40 HGAB Cc1n[nH]c(C)c1CC(=O)NCCn1nc(-c2ccc(F)cc2)cc1-c1cccnc1 19578824 HVSIUVBNRAOMLH-UHFFFAOYSA-N 418.476 3.450 0 40 HGAB COc1ccc([C@@H]2c3nc[nH]c3CCN2C(=O)CN(C)Cc2ccc(F)cc2)cc1 19664122 WPNOUWUTQMDMAI-HSZRJFAPSA-N 408.477 3.164 0 40 HGAB Cc1cc(C)cc(O[C@H](C)C(=O)N2CCC(c3ccc(C(=O)N(C)C)c(N)n3)CC2)c1 19765967 PQOKIQAHYOLIDO-QGZVFWFLSA-N 424.545 3.156 0 40 HGAB COc1ccc(NC(=O)COc2ccc(Cl)cc2S(=O)(=O)N2CCCC2)cc1 19935337 NFTSDCOYZQWCLH-UHFFFAOYSA-N 424.906 3.151 0 40 HGAB Cc1nn2c(nnc3c(=O)n(-c4ccc5c(c4)OCO5)ccc32)c1-c1ccc(F)cc1 19962699 AJCMOPMAWYYTAE-UHFFFAOYSA-N 415.384 3.272 0 40 HGAB COc1ccc(CCNC(=O)CCC(=O)N2CCc3[nH]c4ccc(F)cc4c3C2)cc1 20733891 FBDOKZKVYYRYIB-UHFFFAOYSA-N 423.488 3.339 0 40 HGAB O=C(Nc1ccc2nc(SCC(=O)N3CCOCC3)sc2c1)c1ccco1 20894794 YOJKRSZNARDSJF-UHFFFAOYSA-N 403.485 3.093 0 40 HGAB Cc1nnc(S[C@@H](C)C(=O)c2ccc3c(c2)NC(=O)CO3)n1Cc1ccccc1 21475386 QFYWOCPAISXHJE-ZDUSSCGKSA-N 408.483 3.329 0 40 HGAB O=C(CN1CCN(Cc2ccc3c(c2)OCO3)CC1)Nc1cccc(C(F)(F)F)c1 21847370 CBZJACSTASEZFP-UHFFFAOYSA-N 421.419 3.190 0 40 HGAB CCOC(=O)Cc1csc(NC(=O)CSc2nccn2-c2cccc(F)c2)n1 22081573 VWYNAQSEGMVXPR-UHFFFAOYSA-N 420.491 3.304 0 40 HGAB COc1cccc([C@]2(C)NC(=O)N(C[C@H](O)COc3ccc4ccccc4c3)C2=O)c1 24086974 JDJQIGWCLHCYNA-CYFREDJKSA-N 420.465 3.055 0 40 HGAB CCOC(=O)c1ccoc1CN1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21 24510585 JEFBDLYZMQIVCQ-UHFFFAOYSA-N 418.515 3.194 0 40 HGAB Cc1cnc2c(S(=O)(=O)N(C)Cc3ccccc3N3CCOCC3)cccc2c1 26112871 LMDZFLOQJRHZJF-UHFFFAOYSA-N 411.527 3.201 0 40 HGAB CC(C)[C@H](NC(=O)c1cccs1)C(=O)N1CCC[C@H](C(=O)Nc2ccccc2)C1 27031595 MFMXUTPAVFYSCV-LPHOPBHVSA-N 413.543 3.380 0 40 HGAB Cc1nc2c(cnn2C(C)C)cc1C(=O)NCc1ccc(CN2CCOCC2)cc1 29882339 VHJSXIJFTQCPMK-UHFFFAOYSA-N 407.518 3.083 0 40 HGAB CCOC(=O)c1cc(NS(=O)(=O)Cc2ccc(C(=O)OC)cc2)ccc1Cl 30865953 RIAVIFIRGLTUQC-UHFFFAOYSA-N 411.863 3.245 0 40 HGAB Cc1cc2oc(=O)cc(CN3CCN([C@@H](C)C(=O)NC4CC4)CC3)c2cc1C(C)C 32869521 NXORGZFKXZNMPA-KRWDZBQOSA-N 411.546 3.010 0 40 HGAB Cc1nnc(NC(=O)CSc2nnc(NC(=O)Nc3cccs3)s2)s1 35590125 GMAGLZWNTCDTEQ-UHFFFAOYSA-N 413.535 3.134 0 40 HGAB O=C(/C=C/c1ccc2c(c1)OCO2)N1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)CC1 38946913 LTXOBPSGGMWUSG-JGICFRDGSA-N 422.456 3.042 0 40 HGAB CCN(CC(=O)Nc1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc(F)cc1 39985748 TWNQPPPCBQUWMU-UHFFFAOYSA-N 404.385 3.494 0 40 HGAB Cc1cccnc1NC(=O)C1CCN(C(=O)c2ccccc2OC[C@@H]2CCCO2)CC1 40147003 XTVFXXZAIRJFOG-IBGZPJMESA-N 423.513 3.439 0 40 HGAB CCCCN(C)C(=O)C1CCN(C(=O)C2CCN(C(=O)c3cccs3)CC2)CC1 40151999 DZNLQHFMNVQBAB-UHFFFAOYSA-N 419.591 3.097 0 40 HGAB COc1cc([C@@H]2CC(O)=Nc3c2ncn3-c2cccc(F)c2)ccc1OCC(N)=O 40285932 PORCUSDXXSNAFF-HNNXBMFYSA-N 410.405 3.008 0 40 HGAB COC(=O)Cn1c2c(sc1=O)[C@@H](c1ccccc1OC)CC(=O)N2c1ccccc1 49548362 KVDMFEOJVURMGL-MRXNPFEDSA-N 424.478 3.292 0 40 HGAB CC[C@@]1(c2ccc(NC(=O)c3ccccc3OCCOC)cc2)CCC(=O)NC1=O 56165335 ZEBWWMVOQUQXTR-QHCPKHFHSA-N 410.470 3.049 0 40 HGAB Cc1ccccc1-n1c(=O)c2sccc2n(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)c1=O 57489680 WLXRRRHQEKSAJL-GASCZTMLSA-N 411.527 3.027 0 40 HGAB CCOc1cc(/C=C/C(=O)NCCCC(=O)O)cc(Br)c1OCC 62715253 NKSKMZLWRBFUNJ-BQYQJAHWSA-N 400.269 3.241 0 40 HGAB O=C(NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1)N[C@H]1CCN(Cc2ccccc2)C1 65529601 GVHGNIFAAQTNGQ-OALUTQOASA-N 414.500 3.365 0 40 HGAB O=C(Nc1ccc(Oc2ncccn2)cc1)[C@@H](c1cccc(F)c1)N1CCOCC1 72296609 BMHANCCNTGCUJJ-HXUWFJFHSA-N 408.433 3.420 0 40 HGAB CN(C)c1ncc(-c2cccc(Cl)c2)c([C@@H]2CCCCN2S(=O)(=O)N(C)C)n1 72376643 MVHDAUDIAYIEKQ-KRWDZBQOSA-N 423.970 3.196 0 40 HGAB COc1ccc([C@@H]2SCC(O)=Nc3ncn(-c4ccccc4)c32)cc1OCC(N)=O 79475321 AVTZOZBDEBHGKU-FQEVSTJZSA-N 424.482 3.169 0 40 HGAB Cc1cnc2c(S(=O)(=O)NC[C@H](C)N3CCN(c4ccccc4)CC3)cccc2c1 84129534 GSEXEZNQSGSTFS-IBGZPJMESA-N 424.570 3.032 0 40 HGAB CC[C@@H](c1ccccc1)c1nnc(NC(=O)CN2C(=O)c3ccccc3C2=O)s1 95116318 UJFHQOWKNAHSDE-AWEZNQCLSA-N 406.467 3.315 0 40 HGAB CC(C)(C)NS(=O)(=O)c1ccccc1NS(=O)(=O)c1ccccc1Cl 95956592 WYMUKFMPPFHOHL-UHFFFAOYSA-N 402.925 3.218 0 40 HGAB O=C(c1cccnc1)N1C[C@H](OCc2nc3cc(C(F)(F)F)ccc3[nH]2)[C@H](F)C1 96112052 WIMBWQQVJFBDRG-CJNGLKHVSA-N 408.355 3.356 0 40 HGAB biogenic,in-vitro COc1ccc(N2CCC[C@@H](C(=O)NCCSc3ccc(Cl)cc3)C2)nn1 96231381 ICWSXPSUDSABSH-CQSZACIVSA-N 406.939 3.264 0 40 HGAB CCC[C@]1(C(=O)OCC)N[C@@H](c2cccs2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 100421283 VBMTZEQWPXOMBR-SUWCGCSTSA-N 412.511 3.300 0 40 HGAB O=C(CCCC(=O)N1CCN(c2cccc(Cl)c2)CC1)NC[C@H]1C[C@H]2C=C[C@H]1C2 101371907 CINBZKSZUDJVRV-GBESFXJTSA-N 415.965 3.487 0 40 HGAB Cc1cccc(N2C(=O)/C(=C\Nc3ccc(C(=O)O)c(O)c3)c3ccccc3C2=O)n1 102575193 PVZCMRCDUGIHTQ-PDGQHHTCSA-N 415.405 3.434 0 40 HGAB Cc1ccccc1[C@H](OC[C@H](O)CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)c1ccccc1 105125015 AVQODRNZJDDAEM-YPIGPJMWSA-N 405.494 3.413 0 40 HGAB COc1ccc([C@H](C)NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1 219756721 IQGOKMCNVNUTSS-IFXJQAMLSA-N 422.934 3.379 0 40 HGAB O=C(NCCCc1ccccc1Cl)c1cccc(S(=O)(=O)N2CCCC2)c1 219976308 JUGCYZBIRRZWFM-UHFFFAOYSA-N 406.935 3.487 0 40 HGAB CC[C@@H](C(=O)N1CCCc2ccccc21)N(c1ccc(OC)cc1)S(C)(=O)=O 220651578 DWERKXADRYNNSY-IBGZPJMESA-N 402.516 3.219 0 40 HGAB O=C(Nc1ccc2sncc2c1)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 222538469 GHIUWJOXLCKDQD-CQSZACIVSA-N 401.513 3.336 0 40 HGAB Cc1ccc([C@H](C)NS(=O)(=O)c2nnc(NC(=O)c3ccccc3)s2)cc1 222726231 FXDVIKAIYHCZSH-ZDUSSCGKSA-N 402.501 3.138 0 40 HGAB CCN(CC(=O)Nc1cc(-c2cccc(F)c2)[nH]n1)S(=O)(=O)c1ccc(C)cc1 223061936 NNDNJRPWUCTKGM-UHFFFAOYSA-N 416.478 3.174 0 40 HGAB CC[C@@H](NC(=O)CN(Cc1ccc(C)cc1)S(C)(=O)=O)c1ccc(OC)cc1 223329770 ZXJRDRRDJZPTHO-HXUWFJFHSA-N 404.532 3.033 0 40 HGAB CC[C@H](C(=O)NC)N(CCc1ccccc1)C(=O)CCc1ccc(OC)c(OC)c1 223495327 UEFYSAIGYJRNKI-HXUWFJFHSA-N 412.530 3.232 0 40 HGAB CCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)COc1ccccc1Cl 224037769 SXHSMIXURQXHSF-HNNXBMFYSA-N 404.894 3.281 0 40 HGAB COc1ccc(OCC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)NC(C)C)cc1 224644898 HRXUXDXWOQTAOU-INIZCTEOSA-N 402.466 3.155 0 40 HGAB Cc1ccc2c(c1)OC1(CCN(S(=O)(=O)Cc3ccc(F)cc3)CC1)CC2=O 225816997 QRORSMRPPAVURW-UHFFFAOYSA-N 403.475 3.464 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC(C(=O)N(C)c3ccccc3)CC2)cc1Cl 226080192 BEQNUKDPWLAQOG-UHFFFAOYSA-N 422.934 3.412 0 40 HGAB CO[C@H](CNC(=O)CCc1ccc(S(C)(=O)=O)cc1)c1cc2ccccc2o1 253473707 XKWRSCPQUBUHCE-HXUWFJFHSA-N 401.484 3.273 0 40 HGAB CN1[C@H]2CC[C@H]1[C@@H](C(=O)N1CCCC1)[C@H](c1ccc(I)cc1)C2 256056332 HPQILAIJSLHQQC-XSLAGTTESA-N 424.326 3.480 0 40 HGAB O=C1CCCC[C@H]2[C@@H](C[C@@H](c3cccc(C(F)(F)F)c3)N2C(=O)c2c[nH]c(O)n2)N1 257298487 RLXCHPAFMGBUIQ-KBMXLJTQSA-N 422.407 3.149 0 40 HGAB CCn1cc(CN2CCN(C)[C@@H](c3cn4c(-c5ccncc5)cccc4n3)C2)cn1 306127831 GIRPJJAQRNTLQU-JOCHJYFZSA-N 401.518 3.101 0 40 HGAB Cc1cc(N2C[C@@]3(F)CN(Cc4ccc5c(c4)OCO5)C[C@@]3(F)C2=O)c(C)s1 306130778 JPCVOQKNPUZYST-VQTJNVASSA-N 406.454 3.373 0 40 HGAB Cc1ccc(CN2CC[C@@]3(C2)CN(C(C)C)S(=O)(=O)c2ccccc2O3)s1 306137003 QISYQJASBCHFBE-HXUWFJFHSA-N 406.573 3.493 0 40 HGAB CCCCNS(=O)(=O)c1ccc(OCC(=O)Nc2cc(C)ccc2OC)cc1 408555513 GECWZYPGWSXLPO-UHFFFAOYSA-N 406.504 3.100 0 40 HGAB CCCCc1nnc(S[C@H](C)C(=O)NCCc2ccc(OC)c(OC)c2)n1C 408560396 HIQGYHXQACNEMC-CQSZACIVSA-N 406.552 3.014 0 40 HGAB COc1ccc(CC(=O)N2N=C3CC[C@H](C)C[C@@H]3[C@]2(O)C(F)(F)F)cc1OC 409054821 BSNCGDZTTLNSFR-FNFWKMNBSA-N 400.397 3.132 0 40 HGAB CNS(=O)(=O)c1cc(C(=O)N2CCc3c(Cl)cc(Cl)cc3[C@@H]2C)co1 535902299 JHXBQODSCYHHIG-VIFPVBQESA-N 403.287 3.254 0 40 HGAB O=S1(=O)C[C@H](O)[C@@H](N(Cc2ccccc2)C(c2ccccc2)c2ccccc2)C1 575423366 ZYFOLGCUEUKEHV-GOTSBHOMSA-N 407.535 3.436 0 40 HGAB O=S(=O)(NCCn1cc(-c2ccoc2)cn1)c1ccccc1OC(F)(F)F 575614729 DCJBDVXUKKSKFO-UHFFFAOYSA-N 401.366 3.020 0 40 HGAB Cc1cncnc1N1CCC2(CC[C@@H](CNC(=O)Cc3ccc(F)cc3)OC2)CC1 585101234 PNAAITRMYNBTCU-FQEVSTJZSA-N 412.509 3.049 0 40 HGAB COCCN(C[C@@H]1CC2(CCN(C(=O)COc3ccc(C)cc3)CC2)CO1)C(C)C 585104573 QLTNZZADTSCXBC-QFIPXVFZSA-N 418.578 3.128 0 40 HGAB CCc1ccc([C@@H]2COCCN2S(=O)(=O)c2cc3c(cc2Cl)CCC(=O)N3)o1 605593281 PORIEEOWJIPYES-INIZCTEOSA-N 424.906 3.142 0 40 HGAB CC(=O)Nc1cc(S(=O)(=O)Nc2ccccc2N2C[C@H](C)O[C@H](C)C2)ccc1C 606145981 SOBFWENFJMWGSI-IYBDPMFKSA-N 417.531 3.368 0 40 HGAB O=C(Cn1ccnc1)N1CCOCCOc2ccc(F)cc2Cc2cccc(c2)C1 643582192 VXRVXYCCSXUSJG-UHFFFAOYSA-N 409.461 3.051 0 40 HGAB COc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@@H]3C[C@H]4CC[C@H]3C4)cc2)cc1 1073842127 DSIQFGBKRZPAOT-DKICVRJWSA-N 400.500 3.414 0 40 HGAB Cc1c(C(=O)NC[C@@H](O)c2ccc(C(F)(F)F)cc2)c2ccccc2n(C)c1=O 1629124246 WWVXYMBBNLAYRC-QGZVFWFLSA-N 404.388 3.329 0 40 HGAB CCCOc1ccccc1CN1CCO[C@]2(COCC(=O)N(c3ccccc3)C2)C1 2037983644 BCSMXJQTQPVFBQ-XMMPIXPASA-N 410.514 3.110 0 40 HGAB O=C(Cn1nnc2sc3c(c2c1=O)CCCC3)Nc1cccc(C(F)(F)F)c1 646326 QHTGSHORSQKKMK-UHFFFAOYSA-N 408.405 3.389 0 40 HGAB O=C(CSc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1)OCc1ccccc1 933533 VNYSHJYBACHNRY-KRWDZBQOSA-N 410.495 3.411 0 40 HGAB Nc1c(C(=O)NC[C@@H]2CCCO2)c2nc3ccccc3nc2n1CCc1ccccc1 2290253 WDUBFXBKEDVEAU-KRWDZBQOSA-N 415.497 3.318 0 40 HGAB CCCCn1c(SCC(=O)N2CC(=O)Nc3ccccc32)nc2ccccc2c1=O 3536742 SRFUHZDCGAKWJQ-UHFFFAOYSA-N 422.510 3.274 0 40 HGAB C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1ccc(Br)cc1F)C2=O 3595850 KWIWVVMCCXLFGP-DYZYQPBXSA-N 412.259 3.027 0 40 HGAB CC(=O)Oc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=C3S[C@H](C)C(=O)N32)cc1 3636560 CVLGSCGLPIWSSN-SJKOYZFVSA-N 402.472 3.212 0 40 HGAB O=C(Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(C(=O)c2ccccn2)C1)C1CCCCC1 4277687 BUIZPPFJQZGYAK-FUHWJXTLSA-N 420.513 3.022 0 40 HGAB biogenic,in-vitro CCCCn1c(=O)c2oc3ccccc3c2n(CC(=O)Nc2ccc(OC)cc2)c1=O 4316106 LWSTXSFBIRUYCJ-UHFFFAOYSA-N 421.453 3.357 0 40 HGAB COc1ccc(S(=O)(=O)Nc2ccc(OC(F)(F)F)cc2)cc1NC(C)=O 6316371 XZZDMMGXZVDACU-UHFFFAOYSA-N 404.366 3.353 0 40 HGAB COCc1cc(C)nc2sc3c(=O)n(CCO)c(-c4ccc(OC)cc4)nc3c12 6659357 VWHVONSQPXXQLI-UHFFFAOYSA-N 411.483 3.129 0 40 HGAB Cc1cc2nnc(S[C@H](C)C(=O)Nc3sccc3C(N)=O)n2c2ccccc12 7200348 FPEWSSSZDPRUGL-LLVKDONJSA-N 411.512 3.471 0 40 HGAB CCN(CC)S(=O)(=O)c1cccc(C(=O)OCc2ccc(-n3cccn3)cc2)c1 7254438 FRUZQQBHRVXCDV-UHFFFAOYSA-N 413.499 3.260 0 40 HGAB Cc1cc(=O)n2nc(CSc3nnc(C4CC4)n3Cc3ccccc3)sc2n1 7362312 YEUWXDWTDBUILZ-UHFFFAOYSA-N 410.528 3.269 0 40 HGAB COc1cc(CN(C)C(=O)C2CCN(C(C)=O)CC2)ccc1OCc1ccccc1 8036757 VXPSQUYLLWWPNX-UHFFFAOYSA-N 410.514 3.491 0 40 HGAB CC1CCC2(CC1)NC(=O)N(NC(=O)COc1ccccc1Cc1ccccc1)C2=O 8133224 VQHKKOSCDVBRPD-UHFFFAOYSA-N 421.497 3.188 0 40 HGAB CC[C@@H](C)NC(=O)c1ccc(NC(=O)C[C@H]2SC(N3CCCCC3)=NC2=O)cc1 8315534 YKMSOWDHSZAFSH-RHSMWYFYSA-N 416.547 3.027 0 40 HGAB COc1cccc(CNC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)c1 8379325 ZIRISZMMABXSMR-UHFFFAOYSA-N 402.516 3.108 0 40 HGAB Cc1cccc(NC(=O)COC(=O)CCCCCN2C(=O)c3ccccc3C2=O)c1 8410583 LWEGGUSLIYWDFP-UHFFFAOYSA-N 408.454 3.333 0 40 HGAB COc1ccc(C)cc1NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 8587400 ZCGYBPHKZKNIPU-UHFFFAOYSA-N 402.516 3.184 0 40 HGAB O=C(NCCCn1ccnc1)c1cc2nc(-c3ccco3)cc(C(F)(F)Cl)n2n1 8663455 NJEVJIRIMUUONB-UHFFFAOYSA-N 420.807 3.294 0 40 HGAB CCOc1ccc(N2C[C@@H](CNC(=O)Nc3cc(OC)cc(OC)c3)CC2=O)cc1 9039695 VZPJNAYDGCYOAD-OAHLLOKOSA-N 413.474 3.277 0 40 HGAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)C2CCN(Cc3ccccc3)CC2)c1 9062833 LRGJLKPBASFJOV-UHFFFAOYSA-N 410.470 3.111 0 40 HGAB CC(=O)Nc1ccc(NC(=O)[C@@H](C)N(c2cc(C)ccc2C)S(C)(=O)=O)cc1 10329485 RJMZSIUNUTWEIK-OAHLLOKOSA-N 403.504 3.055 0 40 HGAB CN(CC(=O)NC1CC1)C(=O)CSc1nc2ccccc2n1C1CCCCC1 10398330 KNZDMFOZTJVFTP-UHFFFAOYSA-N 400.548 3.371 0 40 HGAB COc1ccc(C(=O)COC(=O)c2cccc(NC(C)=O)c2)cc1Br 10584988 HYZGMWIZUASWFG-UHFFFAOYSA-N 406.232 3.456 0 40 HGAB CCc1cc2c(=O)n(CCC(C)C)c(S[C@@H](C)C(=O)NC(=O)NC)nc2s1 11133920 GAINHKJTHODJKY-NSHDSACASA-N 410.565 3.003 0 40 HGAB CS(=O)(=O)Nc1cccc(CNC(=O)Cc2csc(-c3cccs3)n2)c1 11360356 LEZGRNHECPJJBV-UHFFFAOYSA-N 407.542 3.102 0 40 HGAB CCc1c(C)nc2cc([C@@H]3CCN(Cc4cc(COC)ccc4OC)C3)nn2c1O 12276364 TVJZUSAQGTYFOU-QGZVFWFLSA-N 410.518 3.450 0 40 HGAB COc1ccc(CN(C)CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C(F)(F)F)cc1 12804071 MHSAVVWBWXNNJJ-GOSISDBHSA-N 421.419 3.433 0 40 HGAB CO[C@H]1CCC[C@H](C(=O)N2CCC(c3nnc(O)cc3-c3cc(C)no3)CC2)C1 13226268 GDCIHGKEWGNSBC-HOTGVXAUSA-N 400.479 3.057 0 40 HGAB CC[C@@H](C(=O)NCc1ccc(OC)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O 13712190 NANZPHWGXZNXFR-SFHVURJKSA-N 410.923 3.210 0 40 HGAB O=C(CCN1C(=O)c2ccccc2C1=O)Nc1nn2cc(-c3ccccc3)nc2s1 14706879 GWZHDULGAMGXSS-UHFFFAOYSA-N 417.450 3.083 0 40 HGAB Cc1ccc(OCc2nc(CC(=O)N3CCN(c4ccccn4)CC3)cs2)cc1 18185177 VAWOCYVOWJANTE-UHFFFAOYSA-N 408.527 3.317 0 40 HGAB CCOC(=O)c1sc(N)c(C(=O)OCC)c1CSc1nnc(-c2ccc[nH]2)o1 18365134 YVQKCEXYVJEBDH-UHFFFAOYSA-N 422.488 3.354 0 40 HGAB Cc1noc(-c2cnc(N(C)C)nc2[C@H]2CCCN2C(=O)Cc2cccnc2)c1C 19558477 CVIPPESTUJBODB-GOSISDBHSA-N 406.490 3.116 0 40 HGAB C[C@H](NC(=O)c1ccc2c(c1)OCO2)c1nc2cc(-c3ccccc3F)ncn2n1 19574539 PPNMYJCUYZLHJZ-LBPRGKRZSA-N 405.389 3.150 0 40 HGAB CCN(C(=O)c1cnn(C)c1C)[C@@H]1CCO[C@H](c2ccc(C(=O)NC(C)C)cc2)C1 19712683 GBTDIFBBGHWBAK-CTNGQTDRSA-N 412.534 3.249 0 40 HGAB CNc1ncc(C(=O)N2CC[C@]3(C)[C@H]2CCCCC(=O)N3Cc2ccccc2C)cn1 19713584 AHWNLEWBYQEWIK-HYBUGGRVSA-N 421.545 3.403 0 40 HGAB CCOc1ccc([C@H](C)NC(=O)CN(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1 20037034 PLFYYUZQEIDAGH-KRWDZBQOSA-N 404.532 3.346 0 40 HGAB COc1ccc(CN(C)C(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)cc1 20061541 HUGDWTVIHDJMET-UHFFFAOYSA-N 416.543 3.450 0 40 HGAB CN(c1cccc(Cl)c1)S(=O)(=O)c1cccc(C(=O)Nc2ncccn2)c1 21210921 MCDFDVRHNCLMLM-UHFFFAOYSA-N 402.863 3.207 0 40 HGAB COc1ccc(CCNC(=O)c2cc(-c3ccc4c(c3)OCCO4)on2)cc1OC 21786162 ZAYHPWZHJLMQHN-UHFFFAOYSA-N 410.426 3.103 0 40 HGAB COc1ccc(-c2nnc(S)n2CC(=O)N(C)CCOc2ccc(C)cc2)cc1 21961337 AUZMDNOQEFIQTI-UHFFFAOYSA-N 412.515 3.088 0 40 HGAB CN1CCN([C@@H](CNC(=O)c2ccccc2Br)c2ccc(F)cc2)CC1 22794675 PZKDZMNXMNVFAC-IBGZPJMESA-N 420.326 3.307 0 40 HGAB COc1cccc(NC(=O)C(=O)NC[C@H](c2ccco2)N2CCc3ccccc3C2)c1 22907451 YFGKQGPQJZYWCK-OAQYLSRUSA-N 419.481 3.143 0 40 HGAB Cc1cc2ncn(CCC(=O)Nc3ccccc3CN3CCN(C)CC3)c2cc1C 23095422 BULUHYJFSNGNOW-UHFFFAOYSA-N 405.546 3.429 0 40 HGAB COc1ccc([C@H](c2sc3nc(C)nn3c2O)N2C[C@H](C)O[C@@H](C)C2)cc1OC 23157119 HPWZRYPYZLSORA-NVGCLXPQSA-N 418.519 3.021 0 40 HGAB COc1cc(C(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)ccc1OC(F)F 24135020 WWAYYUXMYQOCBA-UHFFFAOYSA-N 418.440 3.190 0 40 HGAB NC(=O)N[C@@H](CC(=O)N1CCC[C@H](C(F)(F)F)C1)c1ccc(Br)cc1 24438673 XYKOGBPKWIGOQG-AAEUAGOBSA-N 422.245 3.350 0 40 HGAB COc1ccc(C)cc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C)s2)C1 24926326 OJTVIGSKXXSRLN-OAHLLOKOSA-N 408.545 3.413 0 40 HGAB CS(=O)(=O)N(CC(=O)N1CC=C(c2ccccc2)CC1)c1cccc(Cl)c1 31109481 LCNHEOZZVJCRCR-UHFFFAOYSA-N 404.919 3.422 0 40 HGAB CCN(Cc1ccc(Br)s1)C(=O)c1cccc(S(=O)(=O)NC)c1 32901213 XZJKCXUHCLUKGR-UHFFFAOYSA-N 417.350 3.081 0 40 HGAB CSc1ccc(N2C[C@@H](C(=O)N(C)C[C@@H]3COc4ccccc4O3)CC2=O)cc1 32909319 NHSLESHKLZXXOR-DOTOQJQBSA-N 412.511 3.060 0 40 HGAB COc1ccc(N2CN(Cc3ccccc3OC)Cn3c2nc(C)c(C)c3=O)cc1 35581125 ZEUNSOYSMTZDNO-UHFFFAOYSA-N 406.486 3.446 0 40 HGAB COc1cccc2cc(C(=O)N3CCN(c4ccc(-c5ccco5)nn4)CC3)oc12 38488043 GJMYAGGPACXCBD-UHFFFAOYSA-N 404.426 3.454 0 40 HGAB C[C@@H](OC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)C(=O)c1ccccc1 39566220 XKMMFUZHEWYDFQ-OAHLLOKOSA-N 419.474 3.041 0 40 HGAB C[C@@H](OC(=O)c1ccc(F)cc1Cl)C(=O)Nc1sc2c(c1C(N)=O)CCC2 39995739 KGWYDJBSEXPHNY-MRVPVSSYSA-N 410.854 3.312 0 40 HGAB CCOc1cc(/C=C/C(=O)NCc2nnc3n2CCCCC3)cc(Cl)c1OC 40043342 XRJGALIRBGBUSY-CMDGGOBGSA-N 404.898 3.395 0 40 HGAB CS(=O)(=O)Nc1cccc(CNC(=O)Nc2ccc(OC(F)(F)F)cc2)c1 40097026 GYCDHGWFRJHSCO-UHFFFAOYSA-N 403.382 3.278 0 40 HGAB O=C(COc1ccccc1CNC(=O)c1ccc(F)cc1Cl)NC[C@@H]1CCCO1 40119473 XSMFPABZTOCNTJ-INIZCTEOSA-N 420.868 3.083 0 40 HGAB O=C(CCC(=O)N1CCN(c2cccc(Cl)c2)CC1)Nc1nnc(C2CC2)s1 40287824 ZTSLPFGWVUKWHX-UHFFFAOYSA-N 419.938 3.136 0 40 HGAB CCCCCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(N(C)C)cc2)c1=O 51357646 NULWMCMZDBBCQY-UHFFFAOYSA-N 408.502 3.058 0 40 HGAB COc1ccccc1N1CCN(CCNC(=O)c2ccccc2C(F)(F)F)CC1 56997318 JOVPTQIJARLTTM-UHFFFAOYSA-N 407.436 3.266 0 40 HGAB CCOc1cc(/C=C/C(=O)N2CCCN(C[C@@H]3CCCO3)CC2)ccc1OC(F)F 58017753 XOONOSBGFTWWMK-KOEDOTQGSA-N 424.488 3.413 0 40 HGAB CCOC(=O)N[C@@H](CNC(=O)[C@@H](c1ccccc1)N1CCSCC1)CC(C)C 58223142 DVKNMBKMNWHXJO-RTBURBONSA-N 407.580 3.054 0 40 HGAB O=C(NC1CCCCC1)C1CCN(CCS(=O)(=O)c2ccc(Cl)cc2)CC1 58391508 YGUPVVBLYMHDRC-UHFFFAOYSA-N 412.983 3.275 0 40 HGAB C[C@@H](CNC(=O)NC[C@@H]1CCN(c2ccc(F)cc2)C1)N1CCc2ccccc2C1 58415919 JBJMMQAHGMGAEP-OALUTQOASA-N 410.537 3.398 0 40 HGAB COC(=O)c1[nH]c2cccc(C)c2c1NC(=O)CN1CCN(c2ccccc2F)CC1 61943408 WBSVBJCALKYNOQ-UHFFFAOYSA-N 424.476 3.163 0 40 HGAB Cc1c(C(=O)NCc2ccco2)cnn1-c1ccc(-c2nc(C(C)(C)C)no2)cn1 65251535 OQIWFKDQZXXZPB-UHFFFAOYSA-N 406.446 3.446 0 40 HGAB Cc1ccc(NC(=O)CN2N=C(C(=O)Nc3ccc(F)cc3)CCC2=O)cc1Cl 67336862 FYIJYTITPYDCEP-UHFFFAOYSA-N 416.840 3.343 0 40 HGAB Nc1ncc(-c2ccc(C(F)(F)F)cc2)c([C@@H]2CCCN(C(=O)c3cc[nH]n3)C2)n1 72346148 JLBWJSBPCHRCHL-CYBMUJFWSA-N 416.407 3.488 0 40 HGAB CCc1nnc(Nc2cccc([C@@H]3CCCN(CC(=O)N(CC)CC)C3)n2)s1 72375939 NKXRQXYLJZWYLE-OAHLLOKOSA-N 402.568 3.287 0 40 HGAB NC(=O)c1ccc(-c2cnc(N)nc2[C@@H]2CCCCN2C(=O)CC2CCCC2)cc1 72377085 MBOURFBXSOKVKE-IBGZPJMESA-N 407.518 3.459 0 40 HGAB O=C(NCC1([C@@H](O)c2ccccc2)CC1)[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 89825932 LWBSKLMSPXABGZ-OFNKIYASSA-N 424.516 3.237 0 40 HGAB CCOC(=O)CN(C(=O)c1cc(C)n(C)n1)[C@@H](C)c1cccc(Br)c1 89983704 UDFKYSMQBRNBDP-ZDUSSCGKSA-N 408.296 3.258 0 40 HGAB COC(=O)c1sccc1S(=O)(=O)N1CCC(CSc2ccccn2)CC1 90608081 DTUOQKMEYYUGTA-UHFFFAOYSA-N 412.558 3.123 0 40 HGAB O=C(NCCCNc1nc(Cl)ncc1I)c1cccs1 94988216 VUYDPVDMRVZSHH-UHFFFAOYSA-N 422.679 3.028 0 40 HGAB NS(=O)(=O)CC1CCN(Cc2ccc(OCc3ccc(Cl)cc3)cc2)CC1 95468630 UERWKVNPGLQYIP-UHFFFAOYSA-N 408.951 3.420 0 40 HGAB O=C(CCNC(=O)COC(c1ccccc1)c1ccccc1)NCc1ccccn1 96012237 FKYOBSGOFJYSPZ-UHFFFAOYSA-N 403.482 3.010 0 40 HGAB CCC(CC)CN1CCC2(CC1)O[C@H](C(=O)Nc1cccnc1C)Cn1ccnc12 96243898 UPHWPBGCJOSBOL-FQEVSTJZSA-N 411.550 3.351 0 40 HGAB O=C(Nc1ccc(F)cc1)N1CC[C@@H]2CN(Cc3ccccc3)S(=O)(=O)[C@@H]2CC1 96263664 IVIIWRJCONAKJU-YLJYHZDGSA-N 417.506 3.284 0 40 HGAB c1ccc(N2CCOCCOCCN(c3ccccc3)CCOCCOCC2)cc1 169411328 GIXQLZQYBNJMRN-UHFFFAOYSA-N 414.546 3.080 0 40 HGAB CC[C@@H](C(=O)NCc1ccc(F)cc1)N(c1ccc(F)c(Cl)c1)S(C)(=O)=O 222511258 RUSMUFBLVCGBHT-KRWDZBQOSA-N 416.877 3.479 0 40 HGAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21 222992083 IERRZBDLQNITSX-NRFANRHFSA-N 416.543 3.300 0 40 HGAB COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccncc1 223714564 QJFGOURJGYBVGF-LEWJYISDSA-N 421.526 3.193 0 40 HGAB CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccccc1OC 223727090 LIGOXQYTRRICDI-OAHLLOKOSA-N 404.894 3.281 0 40 HGAB CCOC(=O)C1CCN(C(=O)c2ccc(C)cc2I)CC1 225015789 XMUFBFIQFZUOLX-UHFFFAOYSA-N 401.244 3.015 0 40 HGAB CCOC(=O)c1cnc(NC(=S)N[C@H](CC(=O)O)c2ccc(Cl)cc2)nc1C 225225995 ZPMHGQIYRKMMAD-CQSZACIVSA-N 422.894 3.118 0 40 HGAB CCc1ccc2c(c1)C(=O)CC1(CCN(S(=O)(=O)c3ccc(OC)cc3)CC1)O2 225818027 VMWZWRNTGISQNB-UHFFFAOYSA-N 415.511 3.446 0 40 HGAB O=C(c1nccc2ccccc12)N1CCO[C@H](c2cccc(Nc3nncs3)n2)C1 257220200 DJYNGKOTCRQYRK-KRWDZBQOSA-N 418.482 3.439 0 40 HGAB COCCCNC(=S)Nc1nc(N2CCC[C@H](C)C2)cc(N2CCCC[C@@H]2C)n1 260737653 MUFXBVBFHVLSFA-IRXDYDNUSA-N 420.627 3.415 0 40 HGAB Cc1ccc(C(=O)NC[C@H]2CC[C@]3(COCCN(Cc4cccs4)C3)O2)cc1 306137488 QXRIRPBAVVWQMS-KNQAVFIVSA-N 400.544 3.237 0 40 HGAB CCC[C@@H](C)NC(=O)C1CCN(S(=O)(=O)c2cc(Cl)ccc2OC)CC1 408559319 LPNPUCZSZQKUDK-CYBMUJFWSA-N 402.944 3.054 0 40 HGAB COc1ccc(OC)c(NC(=O)[C@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)c1 409381428 MDFSBNHEZHFBFD-LBPRGKRZSA-N 412.895 3.150 0 40 HGAB O=C(N[C@H]1CC[C@@H](c2ccc(F)cc2)C1)C(=O)N1CCC(Cc2cccnc2)CC1 510396819 MNVRRMVRGWQYPE-IRLDBZIGSA-N 409.505 3.454 0 40 HGAB CC(C)[C@H](NC(=O)CC1(Cn2cnnn2)CCCCC1)c1nc2ccccc2n1C 524735089 UKGOPMXWPGFKPJ-FQEVSTJZSA-N 409.538 3.414 0 40 HGAB O=C(NCc1cnc2n1CCCC2)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 561328336 VSPANVSEZGTMQQ-KRWDZBQOSA-N 421.328 3.447 0 40 HGAB O=C(Cc1ccc2c(c1)CCCO2)N1CC2(C[C@@H](OCc3ccccn3)CS2)C1 575403463 LHIBNGVTNOMRJW-HXUWFJFHSA-N 410.539 3.252 0 40 HGAB Cc1cc(C)n([C@H](CNC(=O)C(=O)NCCC2=CCCCC2)c2ccsc2)n1 575614525 VURSQRXLOOEGOO-LJQANCHMSA-N 400.548 3.274 0 40 HGAB CC(C)(C)N1C[C@H](NC(=O)CCn2ccc3cc(Br)ccc32)CC1=O 1565525047 YXASZFHTGYCWSQ-OAHLLOKOSA-N 406.324 3.310 0 40 HGAB COc1ccc(Cl)cc1C(=O)N1CCC(Cn2nc3c(cc2=O)CCCC3)CC1 1775968225 SWYJUMVLHIGHLL-UHFFFAOYSA-N 415.921 3.337 0 40 HGAB Cc1nc2ccccc2c(=O)n1CC1CCN(c2cc(C(F)(F)F)ncn2)CC1 1888882222 UOPUAESTZZQRPJ-UHFFFAOYSA-N 403.408 3.430 0 40 HGAB COc1ccc(-c2coc3cc(O[C@@H](C)C(=O)O[C@H](C)C(=O)O)ccc3c2=O)cc1 2060993728 GATVNPXCOWVCRX-OLZOCXBDSA-N 412.394 3.252 0 40 HGAB Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccccc3)N3CCCCC3)cc2c1 889015 CVSPEMDCNMCMFP-JOCHJYFZSA-N 414.513 3.447 0 40 HGAB COc1cc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nnc(C)s2)ccc1O 1020434 AOZKGULUWUOITC-QGZVFWFLSA-N 421.434 3.417 0 40 HGAB Cc1cc(=O)oc2cc(OCC(=O)N3CC[C@]4(O)CCCC[C@@H]4C3)c(Cl)cc12 2108832 BTQSOPJJNTXHCY-SPLOXXLWSA-N 405.878 3.287 0 40 HGAB biogenic Cn1cc(S(=O)(=O)CC(=O)Nc2ccc(Br)cc2)c2ccccc21 2461675 GJLVNACPMBYSHR-UHFFFAOYSA-N 407.289 3.353 0 40 HGAB COc1cc(OC)cc(C(=O)N[C@H](C(=O)Nc2ccc(NC(C)=O)cc2)C(C)C)c1 2619196 KMNZKAXFGDBJCQ-FQEVSTJZSA-N 413.474 3.055 0 40 HGAB CN(C)S(=O)(=O)c1cccc(C(=O)Nc2cc(Cl)ccc2N2CCCC2)c1 3350536 XPHXPNCREWXVML-UHFFFAOYSA-N 407.923 3.443 0 40 HGAB C[C@@H]1CCC[C@@H](C)N1C(=O)COC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O 3373374 GOUJFYXUTVJURZ-HUUCEWRRSA-N 424.453 3.022 0 40 HGAB O=C(NCCOc1ccccc1)[C@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1 3667534 SECFJVNWUGCGES-JOCHJYFZSA-N 424.522 3.188 0 40 HGAB Cc1ccc(N(CC(=O)NCCC(C)C)C(=O)CCC(=O)Nc2ccccn2)cc1 4848265 ZUPGBUFBIJVZIR-UHFFFAOYSA-N 410.518 3.304 0 40 HGAB CC(C)c1ccc(NC(=O)CSc2nc(=O)n(CCN(C)C)c3c2CCC3)cc1 4851716 LZHRUCZOAQUVLT-UHFFFAOYSA-N 414.575 3.148 0 40 HGAB C[C@@H](OC(=O)Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(N2CCOCC2)cc1 5397332 QFNUOLHNUAZZEC-MRXNPFEDSA-N 407.470 3.117 0 40 HGAB Cc1nn(C)c2c1[C@@H](c1ccc(F)cc1)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N2 6779674 QEVCTBZGFGVWDF-MSOLQXFVSA-N 412.852 3.404 0 40 HGAB CC[C@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)Nc2cc(C)ccc2OC)C1=O 6881849 DZEWBSHVJSOPOL-OAQYLSRUSA-N 415.877 3.453 0 40 HGAB C[C@@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)NC(=O)NC3CCCC3)c2C1 8007992 OOYMPQYRBZCZIH-CQSZACIVSA-N 409.486 3.285 0 40 HGAB CCCCn1nc(C)c(/C=C/C(=O)N2CCN(C(=O)c3ccco3)CC2)c1Cl 8039221 SFZSJPAKUZEVDY-BQYQJAHWSA-N 404.898 3.236 0 40 HGAB O=S(=O)(c1ccc2c(c1)OCCO2)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 8039963 KZZQSVNZTXZPOF-KRWDZBQOSA-N 417.483 3.145 0 40 HGAB O=C(Cc1noc2ccccc12)Nc1ccc(S(=O)(=O)NCc2ccco2)cc1 8071197 BHIHHSGWVISVGP-UHFFFAOYSA-N 411.439 3.081 0 40 HGAB Cc1ccc(NC(=O)CCCc2cccs2)cc1S(=O)(=O)N1CCOCC1 8113082 TURSFWNFBLIDEA-UHFFFAOYSA-N 408.545 3.039 0 40 HGAB O=C(CC[C@@H]1N=C2c3ccccc3NC(=S)N2C1=O)NCc1ccc(Cl)cc1 8381983 WBWXKPMCTONNKG-INIZCTEOSA-N 412.902 3.104 0 40 HGAB Cc1nc2ccccc2c(=O)n1CC(=O)N[C@@H](c1ccc2c(c1)OCCCO2)C(C)C 8510564 YYROQJMNBKKVNP-HSZRJFAPSA-N 421.497 3.380 0 40 HGAB CC(C)[C@@H](NC(=O)Cn1nnc(-c2cccs2)n1)c1ccc2c(c1)OCCCO2 8734376 QFBQDMPGFCETOE-LJQANCHMSA-N 413.503 3.076 0 40 HGAB CCOCCCNS(=O)(=O)c1ccc(NC(=O)c2ccccc2Cl)c(F)c1 8810448 AAJKBYNUZBWSKE-UHFFFAOYSA-N 414.886 3.436 0 40 HGAB CSc1nc(NCC(C)C)c2cnn(CCNC(=O)Cc3cccs3)c2n1 8942855 YQXCAYPYUJUKEI-UHFFFAOYSA-N 404.565 3.037 0 40 HGAB COCCNC(=O)c1cn(Cc2cccc(F)c2)nc1OCc1cccc(F)c1 9101573 DYNXXEWRUMQIEY-UHFFFAOYSA-N 401.413 3.165 0 40 HGAB CC[C@@H](Sc1nc(C)c(CC(C)C)[nH]1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 9191500 SZMKFZSPMKDBBW-MRXNPFEDSA-N 410.565 3.073 0 40 HGAB CC(=O)Nc1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1 9303868 GZJOKYRWQNYRCH-SFHVURJKSA-N 421.906 3.090 0 40 HGAB CCCCN1C(=O)c2ccc(C(=O)O[C@@H](C)C(=O)NC3CCCCC3)cc2C1=O 9453006 CEHIXKSVMLHUHH-AWEZNQCLSA-N 400.475 3.077 0 40 HGAB Cc1cc(C(=O)Cn2nnc(-c3cccs3)n2)c(C)n1Cc1ccc2c(c1)OCO2 9602479 RSTUFNSEKLOHBF-UHFFFAOYSA-N 421.482 3.480 0 40 HGAB O=C(NCCOc1ccccc1)c1ccc(NS(=O)(=O)c2cccs2)cc1 9859154 PIVRMHUCYWDZKP-UHFFFAOYSA-N 402.497 3.358 0 40 HGAB COc1ccc(NC(=O)CN(c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)c(OC)c1 10358895 LAHXDZYYZGFZSN-UHFFFAOYSA-N 420.531 3.406 0 40 HGAB COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N3CCC[C@@H](C)C3)cc2)cc1 10541577 YFCIAQBMKNTKJY-MRXNPFEDSA-N 402.516 3.392 0 40 HGAB CCN(CCO)C(=O)c1cnn(-c2ncc3c(n2)-c2ccccc2CCC3)c1C1CC1 12049411 QBDDYFYPXQQPOL-UHFFFAOYSA-N 417.513 3.150 0 40 HGAB COCCN1C(=O)N(c2ccc(F)cc2)C(=O)[C@H]1CC(=O)Nc1ccc(Cl)cc1 12363546 DDHCBVNIBYCJIX-QGZVFWFLSA-N 419.840 3.292 0 40 HGAB COc1cccc(-c2noc([C@H]3CC(=O)N(c4ccc5c(c4)OCO5)C3)n2)c1OC 12416023 QOLMQORDLAOBMB-LBPRGKRZSA-N 409.398 3.003 0 40 HGAB COC(=O)c1ccc(S(=O)(=O)N(C)Cc2nc3ccccc3n2C(F)F)cc1 12520705 RNHAKRNCGKVNRB-UHFFFAOYSA-N 409.414 3.039 0 40 HGAB CCOC(=O)C1=C(CN(C)Cc2ccc(F)c(F)c2)NC(=O)N[C@@H]1c1ccc(C)o1 12909207 VYBAPQDADFJNPA-LJQANCHMSA-N 419.428 3.169 0 40 HGAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCCN3CCCCCC3)c2)cc1 13676974 VXPUUUNZCYGOJL-UHFFFAOYSA-N 415.559 3.402 0 40 HGAB O=S1(=O)c2ccccc2[C@@H](O)[C@H](Cc2cccnc2)N1CCCc1ccccc1 13693519 WDIRFMQKHHEAPU-JTHBVZDNSA-N 408.523 3.363 0 40 HGAB CC[C@H](C(=O)Nc1ccc(C(=O)OC)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O 13714255 NWTNCEGXHBJZBI-QGZVFWFLSA-N 424.906 3.310 0 40 HGAB CCCc1cc(=O)[nH]c(SCc2nc3sc4c(c3c(=O)[nH]2)CC[C@@H](C)C4)n1 15587242 GYBQKVAIPIYUTD-SNVBAGLBSA-N 402.545 3.438 0 40 HGAB COc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)c(OC)c1 15654378 LANYOUFYPICTLT-UHFFFAOYSA-N 424.906 3.394 0 40 HGAB Cc1ccc(NC(=O)[C@H](C)OC(=O)CCn2nc(-c3cccs3)oc2=O)c(C)c1 16367036 DKBNUNUEYYICBS-AWEZNQCLSA-N 415.471 3.142 0 40 HGAB Cc1cc(Br)cc(C)c1NC(=O)[C@@H]1C[C@H](O)CN1C(=O)OCC(C)C 18193981 RRWULTHAMIGOCI-GJZGRUSLSA-N 413.312 3.232 0 40 HGAB Cc1cnc(-c2nnc(C3CCN(C(=O)COc4c(C)cccc4C)CC3)o2)cn1 19236037 FRFFTAVFKDGTFU-UHFFFAOYSA-N 407.474 3.237 0 40 HGAB COc1ccccc1-c1cc2ncc3c(n2n1)C[C@@H]1CC[C@H]3N1Cc1ccnn1C 19289226 JQQPKKKGJQGHFJ-MGPUTAFESA-N 400.486 3.400 0 40 HGAB CCNC(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CCCN(C(=O)COC)C1 19528525 WHMJXIBSHJXOTI-QFIPXVFZSA-N 400.544 3.349 0 40 HGAB COc1ccc(CN(Cc2ccnc(N3CCCC3)n2)C[C@H]2CCCO2)cc1OC 19560720 NYTGRDZQCYAVKX-HXUWFJFHSA-N 412.534 3.275 0 40 HGAB COc1cccc(CN2CCC[C@@H](c3cc(C(=O)NCc4ccncc4)on3)C2)c1 19565144 KSDYUHRDWJSARU-LJQANCHMSA-N 406.486 3.388 0 40 HGAB Cc1cccn2c(=O)c(C(=O)Nc3nnc([C@H](C)Oc4ccccc4)s3)cnc12 19714688 LWLZCSDGJIAYBE-ZDUSSCGKSA-N 407.455 3.247 0 40 HGAB O=C(NCCc1ccccc1)[C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 20046683 DYUNGMQWUUHPBY-QFIPXVFZSA-N 414.571 3.020 0 40 HGAB CCOCCCNc1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CCC3 20437816 UQFNMMUINZUVMC-UHFFFAOYSA-N 413.547 3.403 0 40 HGAB COc1ccc(S(=O)(=O)N[C@H](C)c2ccc(C)cc2)cc1C(=O)N1CCCC1 20460766 LRZMVOOOUJVCDQ-MRXNPFEDSA-N 402.516 3.279 0 40 HGAB COc1ccccc1[C@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 21598500 HQGKLFKXVMSKOV-LSDHHAIUSA-N 408.545 3.035 0 40 HGAB COc1ccc(Nc2nc(N3C[C@H](C)O[C@@H](C)C3)nc3c2cnn3C)cc1Cl 21873434 JYOWHEAUDCKXPU-RYUDHWBXSA-N 402.886 3.383 0 40 HGAB CN(C)[C@H](CNC(=O)COc1ccc(Br)cc1Cl)c1ccco1 22381215 DPYSAHWOPBVONT-CYBMUJFWSA-N 401.688 3.493 0 40 HGAB O=C(c1nc(-c2ccccc2)n(-c2ccccc2)n1)N1CCN(c2nccs2)CC1 23009351 HJYPLWGCGMPXIX-UHFFFAOYSA-N 416.510 3.353 0 40 HGAB COc1cc(C(=O)NCc2ccccc2CN2CCOCC2)ccc1OC(F)F 23058465 RWZYUFCCMOMVAC-UHFFFAOYSA-N 406.429 3.059 0 40 HGAB Cc1noc2nc(C3CC3)cc(C(=O)N3CSC[C@H]3C(=O)NCc3ccccc3)c12 24664082 NUFKBNHMKSYCFF-SFHVURJKSA-N 422.510 3.240 0 40 HGAB CCc1ccc(OC[C@@H](O)Cn2c(C)cc(=O)n3nc(-c4ccccc4)cc23)cc1 24843883 LGMBVMOXMYOEML-FQEVSTJZSA-N 403.482 3.474 0 40 HGAB C[C@]12CCC(=O)N1c1ccccc1C(=O)N2CC(=O)N[C@H]1CCCc2ccccc21 28431814 QYLCUPIRVQREIM-YADARESESA-N 403.482 3.179 0 40 HGAB CCOC(=O)Cc1csc(SC[C@@H]2CSc3nnc(-c4ccncc4)n32)n1 32777110 FKDUDHITVKEUKC-ZDUSSCGKSA-N 419.557 3.341 0 40 HGAB CCn1c(SCC(=O)NC2CCCC2)nnc1-c1ccc2c(c1)OCCCO2 33087514 ZHSKAXNDZYKFNT-UHFFFAOYSA-N 402.520 3.277 0 40 HGAB CCc1cccc(CC)c1NC(=O)[C@H](C)NS(=O)(=O)c1ccc(OC)c(OC)c1 33688952 QWYWTAMCKJNICY-AWEZNQCLSA-N 420.531 3.134 0 40 HGAB CC(C)(C)NC(=O)[C@@H](c1cccnc1)N(C(=O)c1csnn1)c1ccc(F)cc1 35311361 GBLVPXNVUGNQRP-QGZVFWFLSA-N 413.478 3.375 0 40 HGAB CC(C)C(=O)Nc1ccc2c(c1)nc(-c1c(O)c(C(=O)N3CCCC3)cn1C)n2C 36369866 PANKXUKWESGGNG-UHFFFAOYSA-N 409.490 3.115 0 40 HGAB biogenic C[C@H]1CN(Cc2ccc(CNC(=O)c3cncc(Br)c3)cc2)C[C@@H](C)O1 40087476 ICRUAOLBKNCHLM-GASCZTMLSA-N 418.335 3.383 0 40 HGAB COc1cc(OC)c2[nH]c(C(=O)NCCCc3cc(N)n(-c4ccccc4)n3)cc2c1 40091048 WMLNRJQHCJTAQT-UHFFFAOYSA-N 419.485 3.316 0 40 HGAB O=C(CN1CCN(C(=O)Nc2ccccc2SC2CCCC2)CC1)N1CCCC1 40104990 MBVWGGGJSQIERO-UHFFFAOYSA-N 416.591 3.493 0 40 HGAB C[C@@H]1CN(c2ccc(NC(=O)CCS(=O)(=O)C3CCCC3)cc2F)C[C@@H](C)O1 40145494 PPLSMMCYPQCQAV-HUUCEWRRSA-N 412.527 3.125 0 40 HGAB COc1ccc([C@@H](NCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c2ccccc2)cc1 53517370 COGBXHHBFDGVEV-QFIPXVFZSA-N 402.454 3.183 0 40 HGAB O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1cccc(CN2CCSCC2)c1 58084097 OUKCDJGAPJDUDP-UHFFFAOYSA-N 423.538 3.250 0 40 HGAB Cc1cc(C(=O)O)c(O)c(S(=O)(=O)Nc2ccc(Br)cc2C)c1 58377262 LDTKQANLDNBNHZ-UHFFFAOYSA-N 400.250 3.271 0 40 HGAB Cc1nc(-c2ccccc2)cc2nn(CC(=O)N[C@@H](C)CCc3ccccc3)c(=O)n12 65196710 HECIAKUIZKIZDC-KRWDZBQOSA-N 415.497 3.004 0 40 HGAB CCOC(=O)c1nc(CN2CCCC[C@@H]2CNC(=O)Nc2ccccc2)cs1 69488036 SMDVEMHLIHZJQM-QGZVFWFLSA-N 402.520 3.496 0 40 HGAB COc1cccc([C@@H](O)CN(Cc2ccccc2)S(=O)(=O)N(C)[C@@H](C)C2CC2)c1 95462021 UHFRZFAVSQLVTL-JTSKRJEESA-N 418.559 3.206 0 40 HGAB O=C(CCC(=O)N1CCN(c2cccc(Cl)c2)CC1)NC[C@@H]1C[C@@H]2C=C[C@H]1C2 95473212 VJRHGAGTROIVNG-SQNIBIBYSA-N 401.938 3.097 0 40 HGAB Cc1cc(C)nc(Nc2cccc(C(=O)N3CCn4c(nnc4C(F)(F)F)C3)c2)n1 95474348 FACHQNXPNSXQEO-UHFFFAOYSA-N 417.395 3.103 0 40 HGAB Cc1cc(NC(=O)C23C[C@@H]4C[C@@H](C2)CC(n2cnc(Br)n2)(C4)C3)no1 101115130 HVYLOUKVUCAUEC-MQAIEQDTSA-N 406.284 3.271 0 40 HGAB CCOC(=O)C1CCN(C(=O)[C@@H]2Cc3ccccc3CN2Cc2ccc(O)cc2)CC1 199415695 JZPFOKDOFDNPBU-QHCPKHFHSA-N 422.525 3.121 0 40 HGAB CCSc1nnc(NS(=O)(=O)c2ccc(OC)c(Br)c2)s1 223382277 AVCFHPULHGYABO-UHFFFAOYSA-N 410.340 3.222 0 40 HGAB CCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)COc1ccc(OC)cc1 224977891 VAVFRANSKKWUJI-KRWDZBQOSA-N 414.502 3.026 0 40 HGAB C[C@H]1CCCCN1c1cc(Sc2ncccn2)nc(NC(=S)NC2CC2)n1 226003859 QYFDODGMDAWVSB-LBPRGKRZSA-N 401.565 3.245 0 40 HGAB CCN1CCN(c2ccc(N)cc2NC(=O)c2ccccc2Br)CC1 226258759 HNRSCZMEZBBURF-UHFFFAOYSA-N 403.324 3.426 0 40 HGAB CCC[C@]1(C(=O)OC)N[C@H](c2cccs2)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]21 245229806 GDKMBQIZOMERJG-OPOADAIRSA-N 416.474 3.049 0 40 HGAB CS(=O)(=O)N(c1ccc(F)cc1)[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)O 260679668 VIKATJYMLSAOMB-OAHLLOKOSA-N 405.369 3.306 0 40 HGAB CCCS(=O)(=O)N1CCC[C@H](c2nc3ccc(-c4cccc(OC)c4)cn3n2)C1 306123266 AIUVLSQNTGFSDU-SFHVURJKSA-N 414.531 3.324 0 40 HGAB COc1cccc(CN2CCC[C@@]3(CN(Cc4cc[nH]n4)CC(F)(F)C3)C2=O)c1 306131819 KQFYAHGCECPHTI-HXUWFJFHSA-N 404.461 3.068 0 40 HGAB COc1ccc(CN2CCO[C@@H](c3nnn4cc(-c5ccncc5)ccc34)C2)cc1 306139401 SWNFSIKUCZLGQX-JOCHJYFZSA-N 401.470 3.373 0 40 HGAB CCCNC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1cc(Cl)ccc1Cl 408586678 AXMGWJKIGMLKLB-MRXNPFEDSA-N 415.342 3.409 0 40 HGAB O=C(Nc1cccc(-c2nc(O)n[nH]2)c1)c1cccc(-c2noc(C(F)(F)F)n2)c1 557084202 MIFIHKGKTLDADQ-UHFFFAOYSA-N 416.319 3.498 0 40 HGAB Cc1cc(C)n(-c2ccc(=O)n(C3CCN(C(=O)C4CCC(F)(F)CC4)CC3)n2)n1 1775995616 BKZPGNBNOQFVEV-UHFFFAOYSA-N 419.476 3.035 0 40 HGAB CCOC(=O)CSc1nnc(CNc2ccc(C)cc2C)n1C[C@H]1CCCO1 923567 ZWKDMXQSENOTIP-MRXNPFEDSA-N 404.536 3.341 0 40 HGAB COc1ccc(OC)c(-n2cc3c(c2-c2ccc(C)cc2)c(=O)n(C)c(=O)n3C)c1 2409195 KJYLZPXHKIWBID-UHFFFAOYSA-N 405.454 3.021 0 40 HGAB CC[C@@H](C(=O)OCC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O)c1ccccc1 3226763 QCMJOVYBQNZMHO-LJQANCHMSA-N 407.470 3.160 0 40 HGAB NC(=O)c1ccc(NC(=O)COC(=O)CC(c2ccccc2)c2ccccc2)cc1 3241970 OWFVAUAKHHTWFZ-UHFFFAOYSA-N 402.450 3.489 0 40 HGAB CCn1c2ccccc2c2nnc(SCC(=O)Nc3ccc4c(c3)OCO4)nc21 3384023 BKFZIUFUPSALME-UHFFFAOYSA-N 407.455 3.459 0 40 HGAB CC(=O)OCCCC[n+]1nn(-c2ccc(C)cc2)c(O)c1C(=O)Nc1ccc(C)cc1 3765426 VRDBDIXHKCDHHN-UHFFFAOYSA-O 423.493 3.078 0 40 HGAB Cc1cc(NC(=O)CCN2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2=O)cc(C)c1Br 4553382 OOVJJFNIUMVXPZ-AZQPONJRSA-N 419.319 3.426 0 40 HGAB O=C(COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1)NC1CCCCC1 4928619 ZBRPMUWICLIWNF-OAQYLSRUSA-N 408.498 3.020 0 40 HGAB Cc1c(C)n2c3c(=O)n(Cc4c(F)cccc4Cl)c(=O)n(C)c3nc2n1C(C)C 4940732 GIFTWSUJSRFENO-UHFFFAOYSA-N 417.872 3.188 0 40 HGAB O=C(NCc1ccccc1)[C@@H](c1ccc(F)cc1)N(C(=O)c1csnn1)C1CC1 4964946 ITULPOVCOWLGOV-LJQANCHMSA-N 410.474 3.340 0 40 HGAB O=C(O)[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 4999572 JBLIRRPOKMYFRG-AWBCAMRRSA-N 410.392 3.003 0 40 HGAB CC[C@H](C)NC(=O)c1c(N)n(-c2ccc(C(=O)OC)cc2)c2nc3ccccc3nc12 5030735 UEBFFZTZGYPGTK-ZDUSSCGKSA-N 417.469 3.471 0 40 HGAB O=C(CSc1nnc(NC2CCCCC2)s1)NCc1ccc2c(c1)OCO2 6566298 KXGFZLFXQXOSPV-UHFFFAOYSA-N 406.533 3.420 0 40 HGAB O=C(CCc1nc(-c2ccc(Cl)cc2)no1)OCC(=O)c1ccc2c(c1)OCO2 7567628 SGLMIAZRHJBWTO-UHFFFAOYSA-N 414.801 3.477 0 40 HGAB O=C(Cc1c[nH]c2ccccc12)NC[C@@H](c1cccnc1)S(=O)(=O)c1ccccc1 8024068 AGONSXWQZSAENM-QFIPXVFZSA-N 419.506 3.437 0 40 HGAB Cc1ccc(NC(=O)CN(C)C(=O)COC(=O)CCc2c[nH]c3ccccc23)cc1 8649567 DQHYYDFMHNUVFH-UHFFFAOYSA-N 407.470 3.049 0 40 HGAB O=C(CCC(=O)c1ccc2c(c1)OCCCO2)Nc1ccccc1N1CCOCC1 8724412 NIZVFCWDDXEMQJ-UHFFFAOYSA-N 410.470 3.286 0 40 HGAB CC[C@@]1(c2ccc(NC(=O)c3cncc(Br)c3)cc2)CCC(=O)NC1=O 9486826 CZGASCAAJDUJFZ-IBGZPJMESA-N 416.275 3.181 0 40 HGAB O=S(=O)(NC[C@H](c1cccs1)S(=O)(=O)c1cccs1)c1cccs1 9742517 DWFFJVPODRETDU-GFCCVEGCSA-N 419.596 3.365 0 40 HGAB O=C(Cc1csc(NS(=O)(=O)c2ccccc2)n1)N1CCc2ccccc2C1 9821415 VWXGZRIAEUQERF-UHFFFAOYSA-N 413.524 3.071 0 40 HGAB CCCCc1cc(=O)oc2c(C)c(OCC(=O)N[C@H](C(=O)O)[C@H](C)CC)ccc12 11866797 AVZBBCQYLVZZEX-XCLFUZPHSA-N 403.475 3.438 0 40 HGAB biogenic CC(C)c1ccc(NC(=O)C(=O)NCCCN2CCN(c3ccccc3)CC2)cc1 12069481 FCOBNAJWJXWNPA-UHFFFAOYSA-N 408.546 3.077 0 40 HGAB Cc1cc(C)n(CC(=O)N[C@@H](Cc2ccsc2)c2nc(C)c(C)s2)c(=O)n1 12228270 USPVENACSDJENC-INIZCTEOSA-N 402.545 3.095 0 40 HGAB O=C(CSc1nnc2c3ccccc3nc(-c3ccccc3)n12)NC[C@H]1CCCO1 12377049 LZZTYVCLHXDCFM-MRXNPFEDSA-N 419.510 3.332 0 40 HGAB CCOc1ccccc1OCCC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 12873807 QTFVUHRTABUYQW-UHFFFAOYSA-N 418.515 3.277 0 40 HGAB Cc1nn(C)c2ncc(C(=O)Nc3ccccc3C(=O)OCC(=O)C(C)(C)C)cc12 12993829 NMWJWLMCCHBMPY-UHFFFAOYSA-N 408.458 3.301 0 40 HGAB Cc1cc(-c2snnc2[C@H]2CCCN(C(=O)CCc3cc(Cl)no3)C2)on1 13225987 UJJBFSUMEUQLFD-NSHDSACASA-N 407.883 3.482 0 40 HGAB CCOc1ccc(CNC(=O)[C@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)cc1 13632687 JCCBEUSNEVWLIR-AWEZNQCLSA-N 410.923 3.210 0 40 HGAB COCC(=O)Nc1c(S(=O)(=O)c2ccc(F)cc2)c(C)c(C)n1Cc1ccco1 13683023 DVYQCSYLWRTSAE-UHFFFAOYSA-N 420.462 3.303 0 40 HGAB O=C(Nc1ccc(F)cc1)C1CCN(S(=O)(=O)CCCc2ccccc2)CC1 13683430 GNFGTKHBSIRQNT-UHFFFAOYSA-N 404.507 3.439 0 40 HGAB COc1ccc([C@H](CNC(=O)c2c(-c3ccccc3)noc2C)N2CCOCC2)cc1 14136591 RLEGZRLFKWMTAI-NRFANRHFSA-N 421.497 3.462 0 40 HGAB CN(Cc1ccc(Cl)cc1)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 15439672 DZVROCQTPOCETL-UHFFFAOYSA-N 401.315 3.273 0 40 HGAB CCCc1cc(=O)[nH]c(SCC(=O)Nc2sc(C)c(C)c2C(=O)OCC)n1 15879767 YJCDSKKKMBYZIX-UHFFFAOYSA-N 409.533 3.308 0 40 HGAB CCCCn1nc(C)c2c(C(=O)N3CCN(Cc4ccccn4)CC3)cc(C)nc21 17087431 IZEUQYZHKPDFQT-UHFFFAOYSA-N 406.534 3.201 0 40 HGAB O=C(Cn1c(CO)cnc1SCc1ccc(F)cc1)NCc1ccc(F)cc1 17155917 CATYAPVFDDMFSW-UHFFFAOYSA-N 403.454 3.262 0 40 HGAB Cc1ccc2c(c1)c(=O)cc(C(F)(F)F)n2CCNC(=O)c1c(Cl)cnn1C 19219963 KKMRFNOALZXBTN-UHFFFAOYSA-N 412.799 3.146 0 40 HGAB Cc1cccc2c(C[C@H](C)NC(=O)CN3C(=O)N[C@@]4(CCCC[C@@H]4C)C3=O)c[nH]c12 19236614 BCGALRMSQQEZNK-PBPSECFOSA-N 410.518 3.024 0 40 HGAB COc1cccc(C(=O)N2CC[C@@](Cc3ccccc3-c3cccnc3)(C(N)=O)C2)c1 19564187 AGUNMDDAVDBBMM-VWLOTQADSA-N 415.493 3.318 0 40 HGAB COc1ccc(-c2cc(C(=O)N(C)Cc3ccccc3N3CCOCC3)n[nH]2)cc1 19660061 WVZXIXTWMLIMSB-UHFFFAOYSA-N 406.486 3.194 0 40 HGAB COc1ccc([C@H]2c3nc[nH]c3CCN2C(=O)CN(C)Cc2ccc(F)cc2)cc1 19664119 WPNOUWUTQMDMAI-QHCPKHFHSA-N 408.477 3.164 0 40 HGAB Cn1c(CCC(=O)N[C@H]2CC(=O)N(c3ccccc3F)C2)nc2cc(Cl)ccc21 19714233 YEDNGDGYXAQXPC-AWEZNQCLSA-N 414.868 3.220 0 40 HGAB COc1cc(C(C)=O)ccc1OC[C@@H](O)CN1CCN(c2c(C)cccc2C)CC1 19999710 QWISVBXTGHVGAZ-NRFANRHFSA-N 412.530 3.077 0 40 HGAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2cc(F)ccc2F)cc1Cl 20016268 RVBNWZLUHJHIKH-SNVBAGLBSA-N 418.849 3.322 0 40 HGAB Cc1cc(C)n2nc(C(=O)O[C@H](C(=O)Nc3ccc(F)cc3)c3ccccc3)nc2n1 21161734 IZSGUCFHZGSDGA-SFHVURJKSA-N 419.416 3.417 0 40 HGAB CCS(=O)(=O)N(C)c1cc(OC)c(OC)cc1C(=O)Nc1cc(C)ccc1C 22252616 YIXGEPNESDSVLE-UHFFFAOYSA-N 406.504 3.359 0 40 HGAB Cc1cc(OCC(=O)NC[C@@H](c2ccc(F)cc2)N2CCOCC2)ccc1Cl 23156351 XZGOAZFUJHXTTR-FQEVSTJZSA-N 406.885 3.356 0 40 HGAB COc1ccc(S(=O)(=O)N(C)CCCC(=O)N[C@H](C)c2ccccc2C)cc1 23184854 CCEWIIVRPAMYMO-QGZVFWFLSA-N 404.532 3.282 0 40 HGAB CN(C)C(=O)[C@H](c1ccccc1)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 24984085 YBTVWJXGKAEXLR-QFIPXVFZSA-N 408.498 3.182 0 40 HGAB COC(=O)c1ccccc1N(C)C(=O)CN1CCC[C@@H]1c1ccc2c(c1)OCCO2 29597763 CZBYGWGJJIWQTM-GOSISDBHSA-N 410.470 3.044 0 40 HGAB CCN(CC(=O)Nc1ccc2c(c1)OCCO2)S(=O)(=O)c1ccc(Cl)cc1C 32404480 GMUIZISLESWLHV-UHFFFAOYSA-N 424.906 3.069 0 40 HGAB Cc1oc2nc[nH]c(=O)c2c1C(=O)NCc1ccccc1-c1ccc(CN(C)C)cc1 32752715 GOXGCNUSNSVZBN-UHFFFAOYSA-N 416.481 3.483 0 40 HGAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)N1CCN(S(=O)(=O)c2cccs2)CC1 34800907 ZNIJFPTVZMWMMU-HNNXBMFYSA-N 417.556 3.116 0 40 HGAB O=C(Nc1cccc(C(F)(F)F)c1)c1cn(C[C@H]2CCCO2)cc2c(=O)[nH]nc1-2 36705887 WGXIKJINVMDICZ-CYBMUJFWSA-N 406.364 3.126 0 40 HGAB COC(=O)c1cccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3Br)C2)c1 40069364 XBVSNHYMQTZVML-ZDUSSCGKSA-N 417.259 3.227 0 40 HGAB O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 40073498 DAEDDXDFJZIJKT-INIZCTEOSA-N 419.268 3.406 0 40 HGAB COC(=O)CCCCCNC(=O)N1CCc2[nH]cnc2[C@H]1c1ccc(Cl)cc1 40267040 AYCPKDQCHGREEW-LJQANCHMSA-N 404.898 3.454 0 40 HGAB CN1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccccn2)[C@@H]1c1ccc2c(c1)OCO2 40287868 OQXYGVYABBJMAR-RTWAWAEBSA-N 401.422 3.360 0 40 HGAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)N[C@@H](CC(C)C)c1ccccc1)O2 44937006 BUVIGWNXFIWQCS-GHTZIAJQSA-N 416.543 3.426 0 40 HGAB O=C(NC1CCC2(CC1)OCCO2)c1cc(-c2ccccc2)n(-c2ccccn2)n1 46199129 VACOBLDKOCLAEN-UHFFFAOYSA-N 404.470 3.350 0 40 HGAB COc1ccc([C@@H](NC(=O)C2CCN(C(=O)NCc3ccco3)CC2)C2CC2)cc1 48290677 RTWHJRBVWCDPLX-NRFANRHFSA-N 411.502 3.477 0 40 HGAB Cc1cc(C)c(NC(=O)[C@H](C)OC(=O)[C@H](C)N2C(=O)[C@H]3CCCC[C@@H]3C2=O)c(C)c1 48340299 HKQYOONUQPUQTA-XSLAGTTESA-N 414.502 3.046 0 40 HGAB CC[C@H](c1nnnn1Cc1ccc(OC)cc1)N1CCN(c2ccc(F)cc2)CC1 57670946 ZGHADICUHCCZLG-OAQYLSRUSA-N 410.497 3.142 0 40 HGAB Cc1ccc(NC(=O)CN2CCN(c3ccccc3O)CC2)cc1Br 58159619 PMYWWTWSUZAVMX-UHFFFAOYSA-N 404.308 3.224 0 40 HGAB C[C@H]1CCc2ccccc2N1C(=O)Cn1nc(Br)nc1Br 72311129 MCPMWADLDPTDPD-VIFPVBQESA-N 414.101 3.171 0 40 HGAB COc1ccc2c(c1)N[C@]1(COC3(CCN(Cc4cnn(C)c4)CC3)C1)c1cccn1-2 72327216 ZYWFZUVKDIPSGT-XMMPIXPASA-N 419.529 3.295 0 40 HGAB Cn1ccnc1[C@H](O)c1cccc(F)c1N1CCN(Cc2cc(F)ccc2F)CC1 72340593 YNHRSULVFBARFL-OAQYLSRUSA-N 416.447 3.241 0 40 HGAB COCCOc1cc(CN2C[C@@H]3CC[C@@](O)(c4ncccc4C)[C@H]3C2)ccc1OC 72389833 DZLJSQKFHYZXBA-SKPFHBQLSA-N 412.530 3.153 0 40 HGAB CNc1cc([C@H]2CC(=O)N(Cc3ccccc3)C2)nc(CN(C)C(=O)C2CCCC2)n1 72391879 NYQSVXFMVAOTDX-IBGZPJMESA-N 421.545 3.183 0 40 HGAB Cc1ccc(N2CC[C@@H](C(=O)NCc3ccnn3CCc3ccccc3)C2=O)cc1C 79070488 BJNRVKCFYZMNHR-QHCPKHFHSA-N 416.525 3.412 0 40 HGAB O=C(Nc1cccc(-c2nnco2)c1)N[C@H]1CCS(=O)(=O)c2ccc(Cl)cc21 79107234 KWGMATALNPRQRG-HNNXBMFYSA-N 418.862 3.430 0 40 HGAB CSCC[C@H](NC(=O)c1cccc(C)c1)C(=O)N[C@@H](CCO)c1cccs1 89669025 KHYPDSYUJXGVDT-IRXDYDNUSA-N 406.573 3.148 0 40 HGAB COc1ccc(Cc2n[nH]c(NC(=O)c3cc(-c4ccc(OC)cc4)nn3C)n2)cc1 95475387 YFCNNVXYQNYXKN-UHFFFAOYSA-N 418.457 3.066 0 40 HGAB O=C(O)c1cc(N2CCSCC2)ccc1NS(=O)(=O)c1ccc2c(c1)CCC2 95958212 OFXPIJIMNXHZOP-UHFFFAOYSA-N 418.540 3.228 0 40 HGAB CC(=O)N1CCc2nc3cc([C@H]4CCCCN4Cc4cccc(C)c4)nn3c(O)c2C1 100242987 MBKSSQZLFCYBBX-JOCHJYFZSA-N 419.529 3.375 0 40 HGAB Cc1ccc(N(CN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@@H]3C2=O)C(=O)C(F)(F)F)c(C)c1 100394852 LVXFLKUWBMVGIP-CNGUFQHNSA-N 418.415 3.209 0 40 HGAB CCCCCOC(=O)[C@H]1[C@@H]2C=C[C@]3(CN(c4ccccc4Br)C(=O)[C@H]13)O2 101026395 CKCXYQYBGQLBIQ-OGNFBWPZSA-N 420.303 3.469 0 40 HGAB CC(C)OC(=O)[C@H]1C(=O)C[C@@](C)(O)[C@H](C(=O)OC(C)C)[C@H]1c1ccc(Cl)cc1 101176148 CTPJHIYBLCRVGW-RYLXDESZSA-N 410.894 3.283 0 40 HGAB O=C(CCCCCN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@H]2C1=O)OCC(=O)c1ccccc1 102085115 QXLNTHOSHAVDCY-IBEPOWJWSA-N 421.493 3.026 0 40 HGAB CNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CCSCc1ccccc1 222860739 PULKAEDVNRPZJM-KRWDZBQOSA-N 400.544 3.482 0 40 HGAB CCOC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(OC)cc1 224858122 LTSRPOGHFGFKPH-UHFFFAOYSA-N 413.879 3.116 0 40 HGAB COc1ccc(S(=O)(=O)N(CC(=O)O)c2cccc(C)c2)cc1Br 224873571 PMZVMJHOACXMLR-UHFFFAOYSA-N 414.277 3.046 0 40 HGAB CS(=O)(=O)N(CC(=O)N1CCC(Cc2ccccc2)CC1)Cc1ccccc1F 225320329 PWYYHHMKCXTXLJ-UHFFFAOYSA-N 418.534 3.069 0 40 HGAB CCCn1c(=O)sc2cc(S(=O)(=O)N[C@H](C)COc3ccccc3)ccc21 225735171 BAMUFMAUWUMJCL-CQSZACIVSA-N 406.529 3.219 0 40 HGAB Cc1ccc(NC(=O)C[C@@H]2C(=O)N[C@H]3CCCC[C@H]3N2C(=O)C(C)C)cc1Cl 251141718 CYZOPOBSYHLUIY-RCCFBDPRSA-N 405.926 3.271 0 40 HGAB COc1ccccc1CC(=O)N1CCC(c2c(C(N)=O)sc3ncccc23)CC1 257264574 LVBNDBSBMKHDFI-UHFFFAOYSA-N 409.511 3.353 0 40 HGAB COc1ccc2c(c1)C=C(CN1CCO[C@@H](c3cccc(-c4cn[nH]c4)n3)C1)CO2 257329977 XMFZGUHZTHTLNC-HSZRJFAPSA-N 404.470 3.330 0 40 HGAB COc1ccc(-c2ccc3c([C@@H]4CN(Cc5cccnc5)CCO4)nnn3c2)cc1 306130777 JPBXXMKKQKJBFM-QFIPXVFZSA-N 401.470 3.373 0 40 HGAB Cc1nc(C(=O)N2CCC(n3cnc4ncc(-c5cccnc5)nc43)CC2)cs1 306137949 RKTCGLQLZJOSBF-UHFFFAOYSA-N 405.487 3.131 0 40 HGAB C[C@H](C(=O)NCc1ccc(Cl)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O 408547288 YKEINZOXZDCMIZ-GFCCVEGCSA-N 401.315 3.464 0 40 HGAB CCOC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1 408561288 RVTGSMPCSHHYMY-UHFFFAOYSA-N 423.922 3.419 0 40 HGAB CC(C)(C)c1cccc(OCCNC(=O)NCc2ccc(CS(C)(=O)=O)cc2)c1 506145375 CAKOCEZPGJBMIM-UHFFFAOYSA-N 418.559 3.407 0 40 HGAB Cc1[nH]c2ccc(F)cc2c1CCN1C(=O)[C@@H](C(N)=O)[C@H]2C[C@@]1(C)Oc1ccccc12 524731078 JLYKROQUARPLSC-SNYIIPAISA-N 421.472 3.384 0 40 HGAB biogenic COc1ccc(CCNC(=O)N[C@@H]2CCc3cc(OC)c(OC)cc32)cc1OC 524733507 PLCBQVPXYABIQU-QGZVFWFLSA-N 400.475 3.250 0 40 HGAB CC(C)(C)CNC(=O)[C@]12CCC(=O)N1c1ccccc1C(=O)N2Cc1ccccc1 546807958 SCRAHJLNUUFJKQ-DEOSSOPVSA-N 405.498 3.328 0 40 HGAB CCn1nc(C)c(CNC(=O)NC[C@]2(Cc3ccc(F)cc3)CCC[C@H]2O)c1C 583417752 OILDBBFRHHLKBC-IFMALSPDSA-N 402.514 3.232 0 40 HGAB CO[C@@H](CNC(=O)C(=O)Nc1cccc(N2CCCC2=O)c1)c1cc2ccccc2o1 585149238 KZVXOYHHRYWWIN-FQEVSTJZSA-N 421.453 3.002 0 40 HGAB O=C(CSc1nc2ccccc2c2nnnn12)NCc1ccccc1C(F)(F)F 585157905 JTTXSRNUDSCEKM-UHFFFAOYSA-N 418.404 3.100 0 40 HGAB COc1cc(CO[C@@H]2C[C@H]3C(=O)C[C@@H](Cc4ccccc4)C(=O)N3C2)cc(OC)c1 601014194 AVTSLNYKKXLAQC-QIJUGHKUSA-N 409.482 3.022 0 40 HGAB CN(C)c1ncc2c(n1)CC[C@@H](NC(=O)C1c3ccccc3Oc3ccccc31)C2 606440756 NDROVEZOYDFOHZ-MRXNPFEDSA-N 400.482 3.454 0 40 HGAB C[C@@H]1COc2ccccc2CCCCC2(CCN(C(=O)c3ccncn3)CC2)C(=O)N1 643571730 RXTAAFHKIGYIHC-GOSISDBHSA-N 422.529 3.009 0 40 HGAB O=C(Cn1ncc2ccccc21)Nc1nn(CC(F)(F)F)cc1Br 1528970920 BPTMHFCJABDPOA-UHFFFAOYSA-N 402.174 3.196 0 40 HGAB CC(C)n1nccc1CN1CCCCCc2ccccc2OC[C@@H](O)[C@@H](O)CC1 1615162422 XGXGLBPQLXXKCM-FCHUYYIVSA-N 401.551 3.183 0 40 HGAB O=C(NCCN1CCc2ccccc2C1)NCc1ccc(N=c2cc[nH]cc2)cc1 1628549471 USRLENPZNAWCLD-UHFFFAOYSA-N 401.514 3.105 0 40 HGAB Cc1cc(OC[C@@]2(O)CCCN(C(=O)CCn3ccnc3)CC2)cc(C)c1Cl 2037912030 CPFWHHKZBGAEAD-OAQYLSRUSA-N 405.926 3.366 0 40 HGAB COc1ccc(-c2coc3cc(O[C@H](C)C(=O)O[C@@H](C)C(=O)O)ccc3c2=O)cc1 2060993729 GATVNPXCOWVCRX-QWHCGFSZSA-N 412.394 3.252 0 40 HGAB COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)Nc2c(C)cccc2C)cc1 639911 VHRSOWOQXTUHEY-NRFANRHFSA-N 423.469 3.122 0 40 HGAB CNC(=O)COC(=O)c1cc(-c2cccs2)nc2c1c(C)nn2-c1ccccc1 3302967 WGYXXYHXXMXZRH-UHFFFAOYSA-N 406.467 3.360 0 40 HGAB O=S(=O)(c1cccc(-c2nnc(SCc3ccon3)o2)c1)N1CCCCC1 3326030 UBHXLTOVSBGPLH-UHFFFAOYSA-N 406.489 3.192 0 40 HGAB O=C(COC(=O)c1ccccc1I)NCCCc1ccccc1 3391555 CICPBEHJFKCUPT-UHFFFAOYSA-N 423.250 3.197 0 40 HGAB CCSc1nnc(NC(=O)c2ccc3c(=O)n4c(nc3c2)CCCCC4)s1 3532858 PTFMVOXFXNBTKW-UHFFFAOYSA-N 401.517 3.339 0 40 HGAB Cc1coc2cc3oc(=O)c(CCC(=O)NCCCN4CCCC4=O)c(C)c3cc12 4087796 IINSYDKEJXOBGR-UHFFFAOYSA-N 410.470 3.217 0 40 HGAB biogenic COC(=O)c1c(NC(=O)CCS(=O)(=O)c2ccccc2)sc2c1CC[C@H](C)C2 4325562 VMIFNIPMDANCRV-ZDUSSCGKSA-N 421.540 3.462 0 40 HGAB CCOc1cc(CNc2ccc(N3CCOCC3)c(C(=O)OC)c2)ccc1OC 4386625 OEXLZDBUOWPSTI-UHFFFAOYSA-N 400.475 3.329 0 40 HGAB COc1ccc([C@H]2CC(=O)N(c3ccc(F)cc3)C3=C2C(=O)OC3)c(OC)c1OC 4519965 XFLGDZMSHUBGKH-OAHLLOKOSA-N 413.401 3.183 0 40 HGAB CCc1nnc(NC(=O)CSc2nnc(COc3cc(C)ccc3C)n2C)s1 4814690 UCFOIHWMCMCMAI-UHFFFAOYSA-N 418.548 3.156 0 40 HGAB O=C(Cn1c(=O)n(CCc2ccccc2)c(=O)c2ccccc21)Nc1ccccc1F 5000037 LWRMODZJAQVQCU-UHFFFAOYSA-N 417.440 3.184 0 40 HGAB CC(C)CNC(=O)c1c(N)n(Cc2ccc3c(c2)OCO3)c2nc3ccccc3nc12 5066950 NGMDGQSGCZAQOL-UHFFFAOYSA-N 417.469 3.330 0 40 HGAB COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NC[C@@H]2CCCO2)c(OC)c1 6590874 IPPMRRMXDQDKHL-SFHVURJKSA-N 407.470 3.465 0 40 HGAB Cc1ccc(CN(C(=O)[C@H](C)Oc2ccccc2Cl)[C@H]2CCS(=O)(=O)C2)o1 6810353 ZGTCBMQTCZURDR-GJZGRUSLSA-N 411.907 3.225 0 40 HGAB O=C(Cn1cnc2sccc2c1=O)N1CCC[C@H](c2nc3ccccc3s2)C1 7086295 GFQIKVKBDKETPV-ZDUSSCGKSA-N 410.524 3.474 0 40 HGAB Cn1nc(C(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2)c2ccccc2c1=O 7191851 ILJINGYOQYWEAU-UHFFFAOYSA-N 414.469 3.171 0 40 HGAB COc1ccccc1N1CCN(C(=O)CSc2nc(-c3ccc(C)cc3)n[nH]2)CC1 7341973 JPHYHMKXWHEPDD-UHFFFAOYSA-N 423.542 3.230 0 40 HGAB CCn1c(S[C@H](C)C(=O)Nc2ccc(F)c(Cl)c2)nnc1N1CCOCC1 7872681 DXQIHLCFFSSDSO-LLVKDONJSA-N 413.906 3.046 0 40 HGAB Cc1c(Cl)cccc1NC(=O)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 8289397 QFJLVABTKIHJBG-OAHLLOKOSA-N 408.907 3.358 0 40 HGAB CCOC(=O)c1ccc2c(c1)nc(S[C@@H](C)C(=O)NC[C@@H]1CCCO1)n2CC 8394233 ACJOROOCLGTNDV-ZFWWWQNUSA-N 405.520 3.009 0 40 HGAB COc1ccccc1NC(=O)CCC(=O)OCC(=O)Nc1cc(Cl)ccc1OC 8416717 GUKXAVCBLINBSV-UHFFFAOYSA-N 420.849 3.258 0 40 HGAB O=C(NCc1ccc(Cl)cc1)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 8587377 FIEMRFMJPOXCSR-UHFFFAOYSA-N 406.935 3.198 0 40 HGAB CC(C)C[C@H](NC(=O)CCN1C(=O)[C@H]2CCCC[C@H]2C1=O)c1nc2ccccc2[nH]1 9336717 VXMNMIAXHCJYFC-FCEWJHQRSA-N 410.518 3.332 0 40 HGAB COc1ccccc1C(=O)NC(=O)CSc1nnc(-c2c[nH]c3ccccc23)o1 9376291 PNUHHYSSUNZTRN-UHFFFAOYSA-N 408.439 3.275 0 40 HGAB Cc1cccc(S(=O)(=O)NCCc2csc3nc(-c4ccccc4F)nn23)c1 9569564 XMEJVSWRKMJZSH-UHFFFAOYSA-N 416.503 3.426 0 40 HGAB CN1CCN(c2nc(Nc3cccc(F)c3)c3cnn(-c4ccccc4)c3n2)CC1 9622857 BCHXVAKTXIAJJT-UHFFFAOYSA-N 403.465 3.450 0 40 HGAB Cc1[nH]c2ccccc2c1C(=O)N1CCC([C@@H]2Nc3ccccc3S(=O)(=O)N2)CC1 12089462 IMCDZCJJKRPRAU-OAQYLSRUSA-N 424.526 3.059 0 40 HGAB O=C1NC2(CCN(C(=O)CCc3nc4ccccc4s3)CC2)Oc2ccccc21 12185746 NIDJWPCEOSOTKL-UHFFFAOYSA-N 407.495 3.370 0 40 HGAB COCCCn1c(C)c(C)c(S(=O)(=O)c2ccccc2)c1NC(=O)[C@@H]1CCCO1 12408995 AVPOTKZELUCROK-SFHVURJKSA-N 420.531 3.092 0 40 HGAB CCOC(=O)[C@](NC(=O)c1cccc(F)c1)(Nc1ccccc1OC)C(F)(F)F 12412311 QFGNEVKPJIAUCM-GOSISDBHSA-N 414.355 3.498 0 40 HGAB COC(=O)c1ccc2c(=O)n(CCCC(=O)NCc3cccs3)c(=S)[nH]c2c1 12415903 CHBBFBQHRAKILZ-UHFFFAOYSA-N 417.512 3.004 0 40 HGAB O=C1N(c2ccc(F)cc2)[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(C(F)(F)F)c1 12636174 AUFYOQOOBHQNKR-CVEARBPZSA-N 414.380 3.457 0 40 HGAB CCOc1ccc(C(=O)NCC(=O)OCC(=O)O[C@H]2C[C@H](C)CC[C@@H]2C(C)C)cc1 12801324 JOLMTLQZNNAWJM-AHRSYUTCSA-N 419.518 3.362 0 40 HGAB O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1C[C@H](O)COCc1cccs1 12917031 KRABEVXHVPEEAQ-IBGZPJMESA-N 422.506 3.121 0 40 HGAB Cc1cccc(OCCNC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)c1 12986953 FZSVDZPIOCPXQN-UHFFFAOYSA-N 422.934 3.242 0 40 HGAB CC1=NN(C(=O)c2cc(-c3cccc(Br)c3)[nH]n2)[C@](O)(C(F)(F)F)C1 13959743 YHLKKMJHEMWILG-CQSZACIVSA-N 417.185 3.312 0 40 HGAB COc1c(Br)c([C@H]2ON=C(CO)[C@H]2C)c(Br)c2c1OCO2 15085869 XNTSHSRZVGLOGX-FWOIEVBISA-N 423.057 3.005 0 40 HGAB CCOC(=O)[C@@H]1C(=O)[C@H](C(=O)OCC)[C@H](c2ccccc2)N(C)[C@H]1c1ccccc1 16682676 SMOICQRJIQLAGP-WOZUAGRISA-N 409.482 3.342 0 40 HGAB O=S(=O)(c1cccc(Cl)c1)N1CCC[C@H](c2nnc(-c3cccnc3)o2)C1 19293468 DGPTZEDKQHDVGZ-AWEZNQCLSA-N 404.879 3.353 0 40 HGAB CN(C)c1cc([C@H]2CCCN(C(=O)C[C@@H]3CCCCO3)C2)nc(-c2ccncc2)n1 19584544 IAMONUOJZWMPCP-OALUTQOASA-N 409.534 3.270 0 40 HGAB Cc1nc([C@H]2CCCN(Cc3cccnc3)C2)ncc1C(=O)NCc1ccccc1 19766286 CKBPLDHMLWTILE-NRFANRHFSA-N 401.514 3.490 0 40 HGAB O=C(Nc1cc(F)ccc1F)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1 19931152 FVKLISJNGRRJNO-FQEVSTJZSA-N 416.449 3.493 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cc(F)ccc3C)C2)cc1C 20016818 OVHUUSVPIWZPOH-INIZCTEOSA-N 420.506 3.491 0 40 HGAB CCc1ccccc1NC(=O)CSc1nc2c(=O)[nH]cnc2n1-c1ccccc1 20213573 GQDOMOAJMLADHF-UHFFFAOYSA-N 405.483 3.402 0 40 HGAB CCOc1cccc2c(C)nc(NC3=NCN(Cc4ccccc4OC)CN3)nc12 20634195 ZICICWNDDBSQCY-UHFFFAOYSA-N 406.490 3.134 0 40 HGAB CNc1nc(Oc2ccc(OCc3ccccc3)nn2)nc(N2CCCCCC2)n1 20728878 QZXBLDHKBLSBKW-UHFFFAOYSA-N 407.478 3.455 0 40 HGAB Cc1noc(C)c1COc1ccccc1C(=O)Nc1cccc(-c2nnnn2C)c1 21129850 CPZYHBDHMZXHBT-UHFFFAOYSA-N 404.430 3.313 0 40 HGAB CSc1ccc([C@H](C)NC(=O)COc2ccc(N(C)S(C)(=O)=O)cc2)cc1 22230885 KHXXBKLTDGMXSV-AWEZNQCLSA-N 408.545 3.061 0 40 HGAB c1nc(NC[C@@H]([C@@H]2CCOC2)N2CCOCC2)c2c3c(sc2n1)CCCCC3 22956838 SNFWNUOFFUWDSD-WBVHZDCISA-N 402.564 3.109 0 40 HGAB O=C(Cn1nc2c(c1NC(=O)c1ccccc1F)CSC2)NCCc1ccccc1 23139655 HHVSJNZOXDEGSJ-UHFFFAOYSA-N 424.501 3.380 0 40 HGAB NC(=O)c1c(NC(=O)COc2ccccc2)sc2c1CCN(Cc1ccccc1)C2 23153827 IHJOLPQMWLTQPI-UHFFFAOYSA-N 421.522 3.423 0 40 HGAB CC(C)C(=O)Nc1ccc(S(=O)(=O)NCC2(c3cccs3)CCOCC2)cc1 23238695 NIJKXATWVIPGLR-UHFFFAOYSA-N 422.572 3.369 0 40 HGAB O=C(CCn1nnc2ccccc2c1=O)Nc1cccc(NC(=O)c2cccs2)c1 24033618 PDHGQNAHMAYTBL-UHFFFAOYSA-N 419.466 3.134 0 40 HGAB CCOC(=O)Nc1ccc(C(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)cc1 24302969 WSXSFCAYTUIJCW-UHFFFAOYSA-N 409.486 3.148 0 40 HGAB Cc1ccc(-c2noc([C@@H](C)N3CCN(C(=O)c4cccc5cn[nH]c45)CC3)n2)cc1 24877659 KBQQHJRZHLAXFN-MRXNPFEDSA-N 416.485 3.440 0 40 HGAB CS(=O)(=O)N1CCC(C(=O)Oc2ccc(C(=O)c3ccc(Cl)cc3)cc2)CC1 25455180 ZQYSOFJLFZBFBM-UHFFFAOYSA-N 421.902 3.148 0 40 HGAB O=C(Cc1csc(-c2ccco2)n1)Nc1ccccc1C(=O)NC[C@H]1CCCO1 25535496 UXBDQQXPGHTZPB-OAHLLOKOSA-N 411.483 3.493 0 40 HGAB C[C@H](c1nc(Cc2ccccc2)no1)N1CCN(c2nccc(C(F)(F)F)n2)CC1 25575964 MLVWAUNDDKBTEU-CQSZACIVSA-N 418.423 3.352 0 40 HGAB Cc1nc(-c2ccc3c(c2)CCN3C(=O)Cc2ccc(-n3cnnn3)cc2)cs1 30580700 WAKVMTHBLLRMJV-UHFFFAOYSA-N 402.483 3.226 0 40 HGAB COc1cccc2cc(C(=O)Nc3ccccc3S(=O)(=O)C(F)F)c(=O)oc12 31904081 HBZJHOGVUWHHSD-UHFFFAOYSA-N 409.366 3.050 0 40 HGAB O=S1(=O)C[C@H]2N=C(SCc3cccc(F)c3)N(c3ccc(F)cc3F)[C@H]2C1 32639876 STMQTLQGKSBTPU-WBVHZDCISA-N 412.458 3.379 0 40 HGAB O=C(NC[C@H](c1ccccc1Cl)N1CCCC1)[C@@H]1CCCN(c2ncccn2)C1 32761041 HEEBDMZPIRANIR-YLJYHZDGSA-N 413.953 3.300 0 40 HGAB O=S1(=O)CC[C@@H](Cc2nnc(SCc3ccccc3Br)o2)C1 32776312 HVKJVJVSACEYTD-JTQLQIEISA-N 403.323 3.102 0 40 HGAB COc1ccc(N(CCC(N)=O)C(=O)CSc2nc3ccccc3s2)cc1 32837559 JAQROPGSCWMEFT-UHFFFAOYSA-N 401.513 3.306 0 40 HGAB CCn1c(=O)c(=O)[nH]c2cc(C(=O)N(Cc3c(F)cccc3Cl)C3CC3)ccc21 32880012 SKBSXVHNHKDEQC-UHFFFAOYSA-N 415.852 3.307 0 40 HGAB O=C(NCc1cccc(C(=O)N2CCCC2)c1)c1cc(Br)ccc1O 32931468 LUOOQNJKXIFCAX-UHFFFAOYSA-N 403.276 3.321 0 40 HGAB COC(=O)[C@@H](c1ccccc1Cl)N1CCN(C(=O)c2cccnc2SC)CC1 32942464 FRNCLCPBWCPYET-QGZVFWFLSA-N 419.934 3.129 0 40 HGAB Cc1ccc(CNC(=O)Cn2cnc3c(-c4ccc(F)cc4)nsc3c2=O)cc1 33300098 MTMRGGOKTOXPDU-UHFFFAOYSA-N 408.458 3.284 0 40 HGAB COc1ccc(C(=O)Nn2c(Cc3ccccc3)nc3ccccc3c2=O)cc1OC 35315600 HYBWYSLDLXFVKJ-UHFFFAOYSA-N 415.449 3.388 0 40 HGAB Cc1ccccc1CN1CCC(C(=O)NCc2cccc(CN3CCOCC3)c2)CC1 38831209 OWVWJCYBMTVDHB-UHFFFAOYSA-N 421.585 3.356 0 40 HGAB Cc1cc(CSc2ncccc2C(=O)NCc2ccnc(-n3ccnc3C)c2)no1 40114447 UNPIYHOMBQLOJN-UHFFFAOYSA-N 420.498 3.489 0 40 HGAB CCN(CC)C(=O)N1CCC[C@@H](C(=O)Nc2c3c(nn2-c2ccccc2)CCC3)C1 40132183 MQPGHHJFHVPTEA-QGZVFWFLSA-N 409.534 3.473 0 40 HGAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21 44844016 NOLZQPVWPISCMO-HXUWFJFHSA-N 416.543 3.300 0 40 HGAB Cc1ccc([C@H]2NC(=O)N(CC(=O)Nc3cc(C)cc(C)c3)C3=C2C(=O)OC3)cc1 49402836 VVTCQEWREFIUFI-OAQYLSRUSA-N 405.454 3.128 0 40 HGAB O=C(Nc1ccc(N2CCOCC2)nc1)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 55080042 BPLNLKMXIKZJAH-MRXNPFEDSA-N 406.490 3.206 0 40 HGAB COc1ccc(CN2CCC(NS(=O)(=O)c3ccc4c(c3)CCC4)CC2)cc1F 55645088 KUBHFKRLAPJYQG-UHFFFAOYSA-N 418.534 3.266 0 40 HGAB Cn1cc(-c2nc(C(=O)NCCCc3nc(-c4ccncc4)cs3)cs2)cn1 58341212 AWPALQAPHQIYKU-UHFFFAOYSA-N 410.528 3.425 0 40 HGAB Cc1cccc(C)c1NC(=O)Cn1nc2c3c4c(sc3ncn2c1=O)CCCC4 64945678 DJHCVWIWNSVMQO-UHFFFAOYSA-N 407.499 3.240 0 40 HGAB CC(=O)Cc1nsc(NC(=O)c2nnn(Cc3ccccc3)c2-c2ccccc2)n1 67225435 BWXBDUKOZDDBMG-UHFFFAOYSA-N 418.482 3.229 0 40 HGAB Cc1cc(NC(=O)CN2N=C(c3nc(-c4ccccc4)no3)CCC2=O)ccc1F 71328329 CUNSDQRYLGVCEX-UHFFFAOYSA-N 407.405 3.149 0 40 HGAB CS(=O)(=O)c1ccc(CN2CCOC[C@H]2c2nc(-c3cccc(F)c3)c[nH]2)cc1 72322090 GMEIZRPGMOAHCZ-FQEVSTJZSA-N 415.490 3.193 0 40 HGAB biogenic,in-vitro CC[C@@H](C)NC(=O)CCc1c(C)nc2cc([C@@H]3CCCN3C(=O)C3CC3)nn2c1C 72351309 HPAPVIVIOOEZMP-VLIAUNLRSA-N 411.550 3.267 0 40 HGAB CC(C)Cn1cc(NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(N)=O)c(C(F)F)n1 89856692 ZAOPNLKLWCIYAZ-OAHLLOKOSA-N 418.448 3.176 0 40 HGAB OCc1nnc2ccc(NCc3cn(Cc4ccccc4)nc3-c3ccccc3)nn12 95460600 NYVJWANAZGLZDJ-UHFFFAOYSA-N 411.469 3.141 0 40 HGAB COc1ccc(-c2noc([C@@H](C)NC(=O)c3nc4ccccc4[nH]3)c2C(=O)O)cc1 96296931 WVTMWMKMVKUANF-LLVKDONJSA-N 406.398 3.416 0 40 HGAB biogenic,in-vitro CC(C)(C)C(=O)/C=c1\s/c(=C/c2ccc(F)cc2)c(=O)n1Cc1ccccc1F 97993928 NTEFEUYTPDCCSC-VVPWPQJISA-N 413.489 3.461 0 40 HGAB Cn1ccnc1C1(O)[C@H]2CCC[C@H]1CN(Cc1cccc(Oc3ncccn3)c1)C2 100769094 PATIITISNHWANJ-OALUTQOASA-N 405.502 3.122 0 40 HGAB CCOC(=O)c1ccc(N2C(=O)C[C@H](N3CCc4c([nH]c5ccccc45)C3)C2=O)cc1 100791742 SYJRUTHNXVOTFP-NRFANRHFSA-N 417.465 3.035 0 40 HGAB biogenic C[C@@H](C(=O)NCc1ccc(Cl)cc1)N(c1ccc(F)c(F)c1)S(C)(=O)=O 113958166 AJAZQQVJZXNSDN-NSHDSACASA-N 402.850 3.089 0 40 HGAB CCOC(=O)c1ccc(C)c(NC(=O)[C@H](C)N(c2cccc(F)c2)S(C)(=O)=O)c1 220484646 FCUJKZMXIGGVQI-AWEZNQCLSA-N 422.478 3.104 0 40 HGAB CC[C@H](C(=O)N[C@H](C)c1ccc(F)cc1)N(c1cccc(OC)c1)S(C)(=O)=O 220631437 AVLGTVRCDNCOHA-AUUYWEPGSA-N 408.495 3.256 0 40 HGAB CCOC(=O)c1ccc(NC(=O)c2ccc(C)c(N(C)S(C)(=O)=O)c2)c(C)c1 222460367 QPTMNCFIEGEVCL-UHFFFAOYSA-N 404.488 3.128 0 40 HGAB COc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)cc1 223006108 BNQXLMSMKIRIGW-INIZCTEOSA-N 416.543 3.072 0 40 HGAB CN(C)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(O)cc1 223279767 WEAFRXZXXLMPLT-RTWAWAEBSA-N 407.543 3.112 0 40 HGAB CCOc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)cc1 223588415 DTJKZCNAORQRNV-NHCUHLMSSA-N 408.527 3.236 0 40 HGAB CCc1ccc(CC)c(CNC(=O)CN(c2ccc(F)cc2F)S(C)(=O)=O)c1 223680806 MVZOBRKIEMFQID-UHFFFAOYSA-N 410.486 3.172 0 40 HGAB CCCC[C@H](CC)CNC(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O 224115818 QOGIVNFUWOCQIY-INIZCTEOSA-N 412.552 3.294 0 40 HGAB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCc3ccncc3)cc2C)cc1 224208411 AQVKFVCJZGCUOS-UHFFFAOYSA-N 409.511 3.454 0 40 HGAB COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)Nc1ccc(F)c(Cl)c1 225184965 PCOJYSGCVYXKBF-UHFFFAOYSA-N 414.886 3.309 0 40 HGAB Cc1c(C(=O)NCc2nnc3ccc(-c4ccsc4)nn23)cnn1-c1ccccc1 245039136 OHBNUNSKDALFNC-UHFFFAOYSA-N 415.482 3.277 0 40 HGAB CC1(C)C[C@H](O)[C@H]2CC[C@](CNC(=O)c3ccncn3)(c3ccccc3)CC[C@@H]2O1 257208286 BLMXFXSNYZLPDE-HBDUWURDSA-N 409.530 3.263 0 40 HGAB C[C@@H](C(=O)Nc1ccc(Br)cc1)N(c1ccc(F)cc1)S(C)(=O)=O 408557688 OHCFTGJVHNKDSF-NSHDSACASA-N 415.284 3.381 0 40 HGAB Cc1ccc(-c2ccc(CCC(=O)O)n2NC(=O)C(=O)Nc2cccc(C)c2)cc1 408562653 RFGVJCSYXFIVSM-UHFFFAOYSA-N 405.454 3.498 0 40 HGAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NC3CCCC3)CC2)cc1Cl 408582538 CZUWFRPGEGXVSS-UHFFFAOYSA-N 414.955 3.198 0 40 HGAB COC[C@@H](C)NC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(Cl)cc1 408630927 YDZMEWQBFXHYBN-MRXNPFEDSA-N 424.950 3.303 0 40 HGAB COc1ccc(C(=O)[C@@H](C)N(C(=O)c2ccc(Cl)cc2)N2C(=O)CCC2=O)cc1 408640322 AQGGDFYVEMOJIJ-CYBMUJFWSA-N 414.845 3.126 0 40 HGAB O=C(NCc1ccc(Br)cc1)C(=O)Nc1cccc(Br)c1 408718307 JEHKBXLUKXCJJS-UHFFFAOYSA-N 412.081 3.467 0 40 HGAB COCCN1C(=O)S/C(=C/c2ccccc2OCC(=O)Nc2ccccc2)C1=O 409135758 SFUCWRUAWFYIGC-QGOAFFKASA-N 412.467 3.387 0 40 HGAB NC(=O)[C@H](CNC(=O)[C@@H]1CCCCN1Cc1ccccc1)Cc1ccccc1Cl 531292838 XMGCAHBYDLJFRU-FPOVZHCZSA-N 413.949 3.155 0 40 HGAB Cn1cc(C(=O)N2CC3(C[C@@H](OCC4CCOCC4)CS3)C2)c2ccccc21 575406549 YWJCDDRUTFWDDB-QGZVFWFLSA-N 400.544 3.322 0 40 HGAB COc1ccc([C@H]2CN(Cc3ccccc3)[C@@H]3CCN(C(=O)CCCN)C[C@H]23)cc1 585172765 PKCICCROMAIEOA-WXFUMESZSA-N 407.558 3.251 0 40 HGAB CN1[C@@H]2CCNc3ccccc3CN(C(=O)CN3CCc4ccccc4C3)C[C@H]1CC2 643588430 GXKHTSOLLZTTCV-BJKOFHAPSA-N 418.585 3.352 0 40 HGAB CCN1CCCN(c2cc(N3CCCN(CC)CC3)nc(-c3ccccc3)n2)CC1 672211854 MIUOUYSFKKKLRC-UHFFFAOYSA-N 408.594 3.208 0 40 HGAB Cc1cc(OC[C@@]2(O)CCCN(C(=O)Cn3ccnc3C)CC2)cc(C)c1Cl 2037912044 DOCIFUOALYBSOS-OAQYLSRUSA-N 405.926 3.284 0 40 HGAB COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccco3)cc2)c(OC)c1 802785 JFRXTBZSHCBHTN-UHFFFAOYSA-N 402.428 3.350 0 40 HGAB Cc1ccc(-n2c(SCC(=O)N3C[C@H](C)O[C@@H](C)C3)nc3ccccc3c2=O)cc1 3530486 OKTHXGLWISMXRX-IRXDYDNUSA-N 423.538 3.422 0 40 HGAB CCOC(=O)c1c(NC(=O)c2ccc(OC)c(OC)c2)sc2c1CCN(C)C2 4086893 JRUHQBHVCYLFTC-UHFFFAOYSA-N 404.488 3.182 0 40 HGAB CC(C)COC(=O)[C@H]1[C@H](c2cccc(F)c2)[C@@H](C(=O)OCC(C)C)C(=O)C[C@]1(C)O 4899393 MOBZJTQVGSXGLX-AWWSKVOZSA-N 422.493 3.264 0 40 HGAB O=C(COC(=O)CNC(=O)c1ccc(Oc2ccccc2)cc1)NC1CCCCC1 4922287 WPFSTDYHIOLIRM-UHFFFAOYSA-N 410.470 3.201 0 40 HGAB COc1ccc(N(C(=O)c2ccc(C)c(C)c2)[C@H]2C=CS(=O)(=O)C2)c(OC)c1 5080882 SBZVSRRWPIDGDO-KRWDZBQOSA-N 401.484 3.278 0 40 HGAB COC(=O)c1ccc(OC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)cc1 5638298 FBCBMXQOQOFEQF-UHFFFAOYSA-N 417.483 3.175 0 40 HGAB CN(C)S(=O)(=O)c1cccc(C(=O)Nc2nc3c(s2)CCc2ccccc2-3)c1 6083076 QQJROOBVJIKPSA-UHFFFAOYSA-N 413.524 3.411 0 40 HGAB CCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@@H](C)c2nc3ccccc3[nH]2)c1 6143714 IJCVDCMODZFXBM-AWEZNQCLSA-N 400.504 3.084 0 40 HGAB Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccccc3)C2)c(C)c1 6280425 QIRQFBRCFLBCMJ-HXUWFJFHSA-N 400.544 3.329 0 40 HGAB CCn1cc(C(=O)OCC(=O)Nc2ccc3c(c2)CCC3)c(=O)c2ccc(C)nc21 6560099 KUMVUKDFPXDOQZ-UHFFFAOYSA-N 405.454 3.009 0 40 HGAB O=C(CN1C(=O)S/C(=C\c2cccc(Cl)c2)C1=O)NCCc1ccc(O)cc1 6660343 JAPDVJOVAKRMCB-BOPFTXTBSA-N 416.886 3.441 0 40 HGAB COC(=O)c1sc(NC(=O)CN2c3ccccc3C[C@@H]2C)c(C(=O)OC)c1C 6832198 YJLHVMOKXQLROO-NSHDSACASA-N 402.472 3.019 0 40 HGAB CCOc1ccc(N(CC(=O)NC2CCCC2)S(=O)(=O)c2ccc(F)cc2)cc1 6892465 LOBYECYKLGKVEG-UHFFFAOYSA-N 420.506 3.479 0 40 HGAB Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CN(C)Cc1coc(-c2cccs2)n1 7874806 SIXCFUAFJSYANM-INIZCTEOSA-N 420.560 3.208 0 40 HGAB CCOc1ccc(NS(=O)(=O)c2ccc(C(=O)NCc3ccccn3)cc2)cc1 7990025 COBHHNVFYDMYCA-UHFFFAOYSA-N 411.483 3.211 0 40 HGAB C[C@@H]1c2cccn2CCN1CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1 8156354 LZKGLQDMRKNLDB-CYBMUJFWSA-N 404.396 3.103 0 40 HGAB COC(=O)c1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccccc2Cl)cc1 8413716 UOZVZNPQRKLNCT-UHFFFAOYSA-N 418.833 3.027 0 40 HGAB O=C(CSc1nccn1-c1cccc(Cl)c1)Nc1ccc(-n2cnnn2)cc1 8745024 DLMWFZGEZORYPI-UHFFFAOYSA-N 411.878 3.232 0 40 HGAB Cc1ccc(C(=O)[C@H](C)OC(=O)CCNS(=O)(=O)c2ccc(Cl)cc2)cc1C 9012356 BELZIGFHPHSAKQ-HNNXBMFYSA-N 423.918 3.440 0 40 HGAB CS(=O)(=O)c1cccc(-c2nnc(NC(=O)c3ccccc3Br)o2)c1 9346698 FIENAGIHAVJJSY-UHFFFAOYSA-N 422.260 3.155 0 40 HGAB COc1ccc(C2=NO[C@@]3(C(=O)Nc4ccccc43)[C@H]2C(=O)c2ccco2)c(OC)c1 9510740 CYTJZHFCFDYJGP-AUSIDOKSSA-N 418.405 3.378 0 40 HGAB CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)[C@@H]2COc3ccccc3O2)c1 9630820 RRGKONIQNQAZIL-NRFANRHFSA-N 424.478 3.290 0 40 HGAB Cc1noc(C)c1C(=O)N(C[C@@H]1CCCO1)c1nc2c(s1)CCc1c-2cnn1C 12146116 LOOWSQRJAROQML-ZDUSSCGKSA-N 413.503 3.073 0 40 HGAB O=C(NCCc1ccc(F)cc1)c1ccc(N2CCCCS2(=O)=O)cc1Cl 12194671 DZQKERJRLLIUMN-UHFFFAOYSA-N 410.898 3.382 0 40 HGAB CN(C)c1ncc(-c2ccccn2)c(-c2ccc(CNC(=O)[C@@H]3CCCO3)cc2)n1 12222387 RASYDDMWFSBLFM-FQEVSTJZSA-N 403.486 3.067 0 40 HGAB C[C@H](NC(=O)CCC(=O)N1CCC(c2ccccc2)=N1)c1ccc(-n2ccnc2)cc1 12601186 DMTYVRXLRCXNNP-SFHVURJKSA-N 415.497 3.466 0 40 HGAB CSc1ccc(N2C[C@@H](C(=O)Nc3cc(S(C)(=O)=O)ccc3C)CC2=O)cc1 12746882 WJYYDPBKQKSROM-AWEZNQCLSA-N 418.540 3.112 0 40 HGAB Cc1ccc(O[C@@H](C)C(=O)N(Cc2nc3ccccc3c(=O)[nH]2)C[C@H]2CCCO2)cc1 12778285 BFZKUAXDMAZPDA-PKOBYXMFSA-N 421.497 3.207 0 40 HGAB CCOc1ccc(S(=O)(=O)NCCC(=O)N[C@@H](C)c2cccc(Cl)c2)cc1 12800112 IBFGVJVOAZSWHE-AWEZNQCLSA-N 410.923 3.285 0 40 HGAB C[C@@H]1CCc2[nH]c3ccc(C(=O)OCC(=O)Nc4sccc4C(N)=O)cc3c2C1 12909499 XYUSNJXLACIMCC-LLVKDONJSA-N 411.483 3.249 0 40 HGAB Cc1ccc(NC(=O)c2cc(C3CC3)nc3onc(C)c23)cc1S(=O)(=O)N(C)C 12972939 ZBYVYYJIPMLAPW-UHFFFAOYSA-N 414.487 3.220 0 40 HGAB Cc1c(Cl)cccc1NC(=O)CNC(=O)CCn1c(=O)oc2cc(Cl)ccc21 12979741 MLALAUNCQYLKKU-UHFFFAOYSA-N 422.268 3.355 0 40 HGAB Cc1ccc(OCCNC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2C)c(C)c1 13001201 FIJHPAUPMPGVBJ-UHFFFAOYSA-N 416.543 3.205 0 40 HGAB O=C([C@H]1COc2ccccc2O1)N1CCN(CCSc2ccc(Cl)cc2)CC1 13069919 SQZKZDCMSVQOSA-HXUWFJFHSA-N 418.946 3.416 0 40 HGAB Cn1c(CNC(=O)c2ccc(Cl)nc2)nc2cc(NC(=O)c3ccco3)ccc21 13688284 FCWQEHCFTXERKL-UHFFFAOYSA-N 409.833 3.397 0 40 HGAB Cc1nn2c(nc(NCc3ccc(CS(N)(=O)=O)cc3)c3ccccc32)c1Cl 14198737 IVLZOHMMRQXQHX-UHFFFAOYSA-N 415.906 3.245 0 40 HGAB COc1cccc([C@@H]2C[C@H](c3cccc(OC)c3OC(F)F)n3nnnc3N2)c1 15866243 KNOJHFWORTZYPQ-LSDHHAIUSA-N 403.389 3.438 0 40 HGAB Cc1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H]([C@H]1CCCN(C(=O)C[C@@H]3CCCO3)C1)N2 19127673 PZBZPFUKEYBMTQ-YHUYYLMFSA-N 400.445 3.287 0 40 HGAB Cc1cccc(-c2ccc(C[C@@]3(C(=O)N(C)C)CN(C(=O)C4CC4)CCO3)cc2)c1 19235343 UVNMZKKCYWFUOV-VWLOTQADSA-N 406.526 3.300 0 40 HGAB CCC12CN3CC(C)(CN(C1)C31C(=O)N(Cc3ccccc3)c3ccccc31)C2=O 19323512 SNYRKOMYSHUCNQ-UHFFFAOYSA-N 401.510 3.003 0 40 HGAB biogenic CCc1nc2ccccc2n1C[C@@H](C)C(=O)N1CCC[C@H]1c1nnc(SC)n1C 19523271 DHQUPDFPYWISPW-PBHICJAKSA-N 412.563 3.449 0 40 HGAB CCN1C[C@@H](C(=O)N2CCC[C@@H](c3cc(C(F)(F)F)c4c(C)noc4n3)C2)CC1=O 19526899 VAEPDKQKXKQQJS-OLZOCXBDSA-N 424.423 3.124 0 40 HGAB CCOCCCNC(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1C(=O)c1ccc(F)cc1 19531020 BMJFTDCBXNLYPQ-FGZHOGPDSA-N 412.505 3.299 0 40 HGAB COc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccc(C)c(C)c2)c1 22229743 FIRXMLNECAHKKC-IBGZPJMESA-N 402.516 3.412 0 40 HGAB O=C(NC[C@H](c1cccc2ccccc12)N1CCOCC1)C(=O)Nc1ccccc1F 23107647 JFLZPMHRNKFQEQ-JOCHJYFZSA-N 421.472 3.107 0 40 HGAB CS(=O)(=O)N1CCC[C@H](C(=O)Nc2cccc(OCc3ccc(F)cc3)c2)C1 23147020 WHNWOANBCUOOJC-INIZCTEOSA-N 406.479 3.015 0 40 HGAB C[C@]1(CSc2ccccc2C(=O)N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)NC(=O)NC1=O 24971813 DEANHWUANRTGEH-GHZYGTOFSA-N 415.559 3.466 0 40 HGAB COc1ccc(CCNC(=O)CCc2nc(-c3ccc(OC)c(OC)c3)no2)cc1 29471803 FFNFKGPJVPLGPV-UHFFFAOYSA-N 411.458 3.054 0 40 HGAB CCOC(=O)c1sc(NC(=O)CSc2nnnn2Cc2cccs2)cc1C 29528674 CNZASXGSHFNBHB-UHFFFAOYSA-N 423.545 3.060 0 40 HGAB COc1ccc(C)cc1NC(=O)CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C 29754153 YMCIECFPIQEJGP-QHCPKHFHSA-N 407.470 3.331 0 40 HGAB Cc1cc(OCC(=O)Nc2cccc(NS(=O)(=O)c3ccc(Cl)cc3)c2)no1 30121507 GVRKQJRBJGVINS-UHFFFAOYSA-N 421.862 3.455 0 40 HGAB C[C@H]1CN(C(C)(C)CNC(=O)NCCc2ccc(C(F)(F)F)cc2)C[C@@H](C)O1 31028501 SBCPCLSIMQJXIT-GASCZTMLSA-N 401.473 3.435 0 40 HGAB CCS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1CC=C(c2ccccc2)CC1 31111383 IMRKAXCZJFBTRS-JOCHJYFZSA-N 410.539 3.079 0 40 HGAB O=C(CCCCCn1c(=O)[nH]c2ccccc2c1=O)Nc1cc(Cl)ccc1O 32095375 KPBXEOFFMCQTEZ-UHFFFAOYSA-N 401.850 3.248 0 40 HGAB C[C@H]1CN([C@@H](CNC(=O)c2ccc3c(c2)OCO3)c2c(F)cccc2Cl)CCO1 40106852 UGCWVCYETOGIGV-GUYCJALGSA-N 420.868 3.400 0 40 HGAB C[C@@H]1Oc2ccc(NC(=O)COc3ccc(Br)cc3)cc2N(C)C1=O 41014362 BOBJRXBYDKOTIJ-NSHDSACASA-N 405.248 3.210 0 40 HGAB O=C(CNC(=O)C(=O)Nc1ccc(Cl)c(Cl)c1)Nc1ccc(Cl)cc1 47081002 RSAXYGOHEIIZQE-UHFFFAOYSA-N 400.649 3.340 0 40 HGAB COc1ccc([C@@H]2CCCCCN2C(=O)CCCN2C(=O)NC(C)(C)C2=O)cc1 48310720 DZWLGYIEUZUCND-SFHVURJKSA-N 401.507 3.250 0 40 HGAB COc1ccc(OC)c(S(=O)(=O)N2CCN([C@H](C)CCc3ccccc3)CC2)c1 48332466 GMIKNWCUNYJBDY-GOSISDBHSA-N 418.559 3.031 0 40 HGAB CN1CCN(c2ccc(C(=O)N[C@H]3CCOc4c(Cl)cccc43)cc2F)CC1 57265203 ARHKKWAGNSYJII-SFHVURJKSA-N 403.885 3.485 0 40 HGAB CC(C)CCNC(=O)Cn1c(=O)n(-c2ccc(Cl)cc2)c(=O)c2sccc21 57491747 XGFDNFSJDLIFFN-UHFFFAOYSA-N 405.907 3.030 0 40 HGAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N(C)C[C@@H]2COc3ccccc3O2)c1C 58175465 ZNDKUVJLMPMAKP-HZPDHXFCSA-N 400.475 3.151 0 40 HGAB CCc1ccccc1NC(=O)c1nnn(CC(=O)Nc2cccc(C(C)=O)c2)c1C 67322982 GTVZUYMXLNIRAI-UHFFFAOYSA-N 405.458 3.243 0 40 HGAB Cc1noc(C)c1[C@@H](C)NC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 84023054 LMBCXAUKFZTNCG-SNVBAGLBSA-N 406.489 3.040 0 40 HGAB O=C(CCC1CCCC1)N1CCN(C(=O)c2ccc(OC[C@@H]3CCCO3)cc2)CC1 84387868 TTWWXHVKYVUWPN-QFIPXVFZSA-N 414.546 3.499 0 40 HGAB C[C@H](NC(=O)COc1cc(O)c2c(c1)OC(C)(C)CC2=O)c1nc2ccccc2n1C 96222182 MMJCLTCRLDYVNP-ZDUSSCGKSA-N 423.469 3.279 0 40 HGAB biogenic COc1cc([C@@H]2CC(=O)Nc3ncn(-c4ccc(F)cc4)c32)c(OC)c2c1OCO2 96335728 MIVGUSXOMDWKKA-ZDUSSCGKSA-N 411.389 3.231 0 40 HGAB O=S(=O)(Cc1ccccc1)N1[C@H]2CC[C@H]1CC(O)(Cc1ccc(F)cc1F)C2 101907480 BVQDUIOFSVHWGZ-OALUTQOASA-N 407.482 3.395 0 40 HGAB Cc1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)cc1N(C)S(C)(=O)=O 222451755 NBPJDXKSZOYJGA-UHFFFAOYSA-N 400.544 3.486 0 40 HGAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(C)c(N(C)S(C)(=O)=O)c1 222453421 FNBDIMJUOZLSCX-OAHLLOKOSA-N 417.531 3.171 0 40 HGAB COc1ccc(/C=C/C(=O)N2CCc3cc(S(=O)(=O)N4CCCC4)ccc32)cc1 223087165 PFSCNWVCYRWZIL-IZZDOVSWSA-N 412.511 3.082 0 40 HGAB COC(=O)c1cc(S(=O)(=O)Nc2cccc(N3CCCC3=O)c2)ccc1Cl 223835010 MNZNOZALKYIZQB-UHFFFAOYSA-N 408.863 3.054 0 40 HGAB Cc1cccc(C)c1N(CCCC(=O)NCCOc1ccc(F)cc1)S(C)(=O)=O 224653188 ZJOBIPHVMNGBPQ-UHFFFAOYSA-N 422.522 3.184 0 40 HGAB CCOc1ccc(N([C@@H](C)C(=O)NC(C)(C)Cc2ccccc2)S(C)(=O)=O)cc1 224806835 PCQXVLNWCGVRGX-KRWDZBQOSA-N 418.559 3.377 0 40 HGAB CC[C@@H](NS(=O)(=O)c1ccc2c(c1)sc(=O)n2C)c1ccc(OC)c(C)c1 225685303 NTIRMOSVJPFHJU-OAHLLOKOSA-N 406.529 3.347 0 40 HGAB COCC(=O)NC[C@H]1CC[C@H](c2nc(N3CCCC3)ncc2-c2cc(C)no2)CC1 257205138 AXVGZXUXYXLDHQ-QAQDUYKDSA-N 413.522 3.077 0 40 HGAB CC1(C)C[C@H](O)[C@H]2CC[C@](CNC(=O)c3cccnn3)(c3ccccc3)CC[C@@H]2O1 257251070 JPHFOOYXWBCAPH-HBDUWURDSA-N 409.530 3.263 0 40 HGAB COc1ccc(NC(=O)c2nnc3n2C[C@@H]2CN(Cc4sccc4C)C[C@@H]2C3)cc1 306129321 IAPYCKYCWPMVEG-HOTGVXAUSA-N 423.542 3.213 0 40 HGAB COc1cccc(CN2CCC[C@]3(CN(Cc4cc[nH]n4)CC(F)(F)C3)C2=O)c1 306131818 KQFYAHGCECPHTI-FQEVSTJZSA-N 404.461 3.068 0 40 HGAB COC(=O)CN1C(=O)/C(=C/c2ccccc2OCc2ccc(C)cc2)N(C)C1=S 409212688 PIZHNRJPOKZFTA-PDGQHHTCSA-N 410.495 3.147 0 40 HGAB COc1cc(Br)cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)c1O 409240151 OSQXGZMNSITTMN-RIYZIHGNSA-N 403.232 3.256 0 40 HGAB CN1C(=O)c2cccc3c(S(=O)(=O)NC[C@@H]4[C@H]5Cc6ccccc6[C@H]54)ccc1c23 513119978 HGPKXWLZNZUHID-DBXWQHBBSA-N 404.491 3.294 0 40 HGAB COCCN1C(=O)C[C@H]2[C@H](CNC(=O)Nc3cccc(C(F)(F)F)c3)[C@@H](C)C[C@H]21 1775964320 FOBMEEDVGXAUEU-KKBVYLPWSA-N 413.440 3.346 0 40 HGAB biogenic,in-vitro CSc1nc(C2CCC2)cc(N2CCN(Cc3nnc(C(F)(F)F)o3)CC2)n1 1888875850 OAYMGBYQVVIFGS-UHFFFAOYSA-N 414.457 3.190 0 40 HGAB COc1cc2c(cc1OC)CN(c1nc3c(S(C)(=O)=O)cccc3s1)CC2 1889252065 DSPJZCSZJWZELT-UHFFFAOYSA-N 404.513 3.280 0 40 HGAB CCC(CC)C(=O)N1CCC[C@@](COc2ccccc2)(CC(=O)N2CCOCC2)C1 2037905458 KNMMZTDDYFKTCS-XMMPIXPASA-N 416.562 3.359 0 40 HGAB CCn1c(Cc2ccc(OC)cc2)nnc1SCC(=O)NCCc1ccccc1 686674 JBIXDIAWRRFWLW-UHFFFAOYSA-N 410.543 3.348 0 40 HGAB COc1ccccc1N(CC(=O)NC1CCCCC1)S(=O)(=O)c1ccccc1 827513 PXYVOOHCYXEQGQ-UHFFFAOYSA-N 402.516 3.339 0 40 HGAB COc1cc(C(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C)C3)cc(OC)c1OC 934520 WNWCDPYNSYQWRQ-JTQLQIEISA-N 404.488 3.250 0 40 HGAB COc1ccc([C@@H](O)C[C@@H]2c3c(cc4c(c3OC)OCO4)CCN2C)cc1OC 2133750 RZTRQDYTALSTEQ-CVEARBPZSA-N 401.459 3.094 0 40 HGAB biogenic CCOc1ccc(-c2nnc(SCC(=O)Nc3ccc(F)cc3F)n2N)cc1 2336287 JIGHMYWELHOLTR-UHFFFAOYSA-N 405.430 3.067 0 40 HGAB Cc1cc(C)n(-c2ccc(C(=O)O[C@H](C)C(=O)Nc3ccc4c(c3)OCCO4)cc2)n1 3367496 GZGGQQMUOGSOFT-MRXNPFEDSA-N 421.453 3.444 0 40 HGAB CSc1nc2ccc(NS(=O)(=O)c3ccc(CNC(C)=O)cc3)cc2s1 3427286 TXJHQLLGEHQPMP-UHFFFAOYSA-N 407.542 3.455 0 40 HGAB CCNC(=O)NC(=O)[C@@H](C)Sc1nc2ccccc2c(=O)n1-c1cc(C)cc(C)c1 3521515 KJGUDAXFZMMILK-OAHLLOKOSA-N 424.526 3.329 0 40 HGAB COc1ccc(-n2nc3c(c2NC(=O)[C@H](C)Oc2ccccc2)C[S@](=O)C3)cc1 4105767 AIPWHTPKIHUETD-MLNJSSBLSA-N 411.483 3.049 0 40 HGAB CC(=O)N1[C@H](c2ccccc2OC(=O)c2ccc(Cl)nc2)C[C@]2(C)CC(=O)N[C@H]12 4108727 FAJVUSBZVPZYMF-IWMITWMQSA-N 413.861 3.100 0 40 HGAB Cc1c(Cl)cccc1N1CCN(S(=O)(=O)C[C@]23CC[C@H](CC2=O)C3(C)C)CC1 4623425 VEJWGLJWBOKRQS-IIBYNOLFSA-N 424.994 3.496 0 40 HGAB CCn1c(COc2ccc(OC)cc2)nnc1S[C@@H](C)C(=O)Nc1nccs1 4814637 BELWGZGKKWHGSR-LBPRGKRZSA-N 419.532 3.461 0 40 HGAB Cc1cccc(NC(=O)CN(C[C@H]2CCCO2)C(=O)c2cn3ccccc3n2)c1C 6578511 SAAHXTNXYMTPEV-GOSISDBHSA-N 406.486 3.211 0 40 HGAB C[C@H](OC(=O)CCC1CCCC1)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 7483764 AURFPEWRHVWUQJ-INIZCTEOSA-N 422.547 3.312 0 40 HGAB COc1ccc(-c2noc(CCC(=O)N3CCN(c4ccccc4)CC3)n2)cc1OC 7754669 QZULPJDDGACZCQ-UHFFFAOYSA-N 422.485 3.035 0 40 HGAB O=C(CSc1nnc(-c2cccnc2)n1C1CC1)Nc1ccc2c(c1)OCCO2 7798551 GRLSCSIGIWHMLC-UHFFFAOYSA-N 409.471 3.177 0 40 HGAB O=C(/C(=C/c1cc(Cl)c2c(c1)OCO2)c1nc2ccccc2[nH]1)N1CCOCC1 7900612 OAKYUTUGJYOBDY-NTEUORMPSA-N 411.845 3.344 0 40 HGAB O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)COc2ccc3c(c2)CCC3)CC1 9577489 AYNOPSUNLDBWRS-UHFFFAOYSA-N 422.481 3.160 0 40 HGAB COc1ccc(N(CC(=O)N[C@H](C)CCc2ccccc2)S(C)(=O)=O)cc1Cl 9615250 ZKOWUDOVUKGKDS-OAHLLOKOSA-N 424.950 3.252 0 40 HGAB O=C(Cc1ccc(N2CCCC2=O)cc1)Nc1cccc(Cl)c1N1CCOCC1 9906910 CJIUGXBVWYYKPN-UHFFFAOYSA-N 413.905 3.485 0 40 HGAB CCn1c(=O)c2cc(Br)ccc2n(CC(=O)c2ccc(Cl)cc2)c1=O 9935441 ZPCAEJJEKSDBQC-UHFFFAOYSA-N 421.678 3.482 0 40 HGAB Cn1c(SCC(=O)NC[C@@H]2CCCO2)nc2scc(-c3cccs3)c2c1=O 10867964 ZEJREGCYJLYNLZ-NSHDSACASA-N 421.569 3.111 0 40 HGAB COc1cc(C(=O)Nc2cccc(S(=O)(=O)NCc3ccco3)c2)ccc1C 11358153 KAXWYAFJEBENQG-UHFFFAOYSA-N 400.456 3.327 0 40 HGAB O=C(Nn1cnc2c(cnn2-c2cccc(Cl)c2)c1=O)c1c(F)cccc1Cl 11665757 GGGBYXLWXMYEQP-UHFFFAOYSA-N 418.215 3.412 0 40 HGAB CCOc1cc2c(cc1CN1CCC(c3cc(N)n4nc(C)cc4n3)CC1)OCO2 12121586 DRZQYASWXYFGQF-UHFFFAOYSA-N 409.490 3.127 0 40 HGAB Cn1ncc(Cl)c1[C@@H]1CCCCCN1S(=O)(=O)c1ccc2c(c1)CCC(=O)N2 12159821 DMECKNKTDVWMES-KRWDZBQOSA-N 422.938 3.264 0 40 HGAB CCN(CC(=O)Nc1ccccc1C(F)(F)F)Cc1nc2ccsc2c(=O)[nH]1 12749589 XZRLSWCFCINYFW-UHFFFAOYSA-N 410.421 3.464 0 40 HGAB Cc1cc(=O)c(C(=O)N2CCN(C)C[C@@H]2c2ccccc2)nn1-c1ccc(Cl)cc1 12757370 KAZXXHPNFFBHJF-HXUWFJFHSA-N 422.916 3.323 0 40 HGAB CNC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2c2nc3ccccc3s2)cc1 12763406 JFCYDBQMYBDCJS-MRXNPFEDSA-N 401.513 3.182 0 40 HGAB COC(=O)C1=C(CN2CCc3ccccc3C2)N(C2CC2)C(=O)N[C@@H]1c1ccccc1 12805986 IEXMACKVAJUIBT-HSZRJFAPSA-N 417.509 3.401 0 40 HGAB CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)[C@@H](C)Oc1ccc(Cl)cc1 12902049 MUTNRNTXYSTKLH-CQSZACIVSA-N 418.877 3.366 0 40 HGAB O=C(Nc1nnc(C2CC2)s1)[C@@H]1CC(=O)N(c2ccccc2Br)C1 12990255 BZEHRACWXNRZFJ-SNVBAGLBSA-N 407.293 3.170 0 40 HGAB CCOC(=O)/C=C/c1ccc(NC(=O)CCN2C(=O)[C@@H](C)Oc3ccccc32)cc1 13001467 LKFIDPZEBMXPEE-QSOAKEGCSA-N 408.454 3.406 0 40 HGAB CC(=O)c1ccc(NC(=O)CSC2=N[C@H](c3c[nH]c4ccccc34)NC(N)=N2)cc1 13579123 XAXDLJIFJBRYKP-LJQANCHMSA-N 420.498 3.015 0 40 HGAB CC[C@H](C(=O)NCc1ccccc1OC)N(c1ccc(Cl)cc1)S(C)(=O)=O 13714360 ALSDRYVULKBBBJ-QGZVFWFLSA-N 410.923 3.210 0 40 HGAB Cc1nnc(SCC(=O)N2CCN(Cc3c(F)cccc3Cl)CC2)s1 14241187 DQYRZZJXZBAGDO-UHFFFAOYSA-N 400.932 3.076 0 40 HGAB O=C(Nc1ccccc1N1CCCCC1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 15309189 AZTOVWRZBMWDNR-QGZVFWFLSA-N 421.497 3.440 0 40 HGAB O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1 18120514 PMDANAIVQUMNGB-GJZGRUSLSA-N 423.435 3.419 0 40 HGAB COc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc5ccccc45)C(=O)[C@H]3N3CCCN23)cc1 19169283 FNIWUJASFHKNMA-ZLNRFVROSA-N 413.477 3.384 0 40 HGAB CCN(CC)S(=O)(=O)N1CC[C@@H](c2cc(COc3ccc(C(C)C)cc3)[nH]n2)C1 19704521 DAJBKTSAAFUPDQ-GOSISDBHSA-N 420.579 3.488 0 40 HGAB Cc1cccn2c(=O)c(C(=O)Nc3ccc(OCCN4CCCCC4)cc3)cnc12 19714661 MHOOSGSMMKBOAG-UHFFFAOYSA-N 406.486 3.120 0 40 HGAB Cc1nccn1Cc1cccc(NC(=O)[C@@H](c2ccc(F)cc2)N2CCOCC2)c1 19717104 WQDALTKGLZMRCI-JOCHJYFZSA-N 408.477 3.391 0 40 HGAB O=C1C[C@H](c2ccc(Cl)cc2)[C@@H](n2cncn2)C(=O)[C@@H]1[C@@H]1NCCc2ccccc21 20218625 NBBYHVVEXVSNGZ-FVTFTPSCSA-N 420.900 3.302 0 40 HGAB COc1cc(C2SCCS2)ccc1OC(=O)Cn1c(=O)cnc2ccccc21 23299534 DYDAUIFZJKAPAL-UHFFFAOYSA-N 414.508 3.489 0 40 HGAB CNC(=O)c1nn(CN2CCC[C@H]2c2nc3ccccc3s2)c(=O)c2ccccc12 24148752 CKBVGCNIDAIESB-KRWDZBQOSA-N 419.510 3.160 0 40 HGAB COc1cccc(NC(=O)C2CCC(CNC(=O)[C@H]3Cc4ccccc4CN3)CC2)c1 24985064 WUSTVAJLTKMPTL-QPFKGPCDSA-N 421.541 3.271 0 40 HGAB CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC[C@@H](c1ccco1)N1CCCCC1 27498451 PJWWVYFGFMHCKH-VXKWHMMOSA-N 422.529 3.152 0 40 HGAB Cc1c(C(=O)Nc2nc3c(s2)CN(C)CC3)cnn1-c1ccc(C(F)(F)F)cn1 30513737 GEAZZUUGNUWCJC-UHFFFAOYSA-N 422.436 3.291 0 40 HGAB COc1ccc(-n2c(=O)c(CCC(=O)OCc3cc(C)no3)nc3ccccc32)cc1 32387070 XNFFJYDKXXNPSG-UHFFFAOYSA-N 419.437 3.367 0 40 HGAB Cc1cc(F)ccc1NC(=O)CSc1nnc(-c2ccc3c(c2)OCO3)n1C 32579540 DGOFOYFVJBULFW-UHFFFAOYSA-N 400.435 3.389 0 40 HGAB COc1ccc(CN(Cc2nc3ccccc3c(=O)[nH]2)C(=O)c2ccncc2)cc1 35313666 PGSDHXLPWWYVIT-UHFFFAOYSA-N 400.438 3.169 0 40 HGAB COC(=O)[C@@H](CC(C)C)NC(=O)N1CCc2[nH]cnc2[C@@H]1c1ccc(F)c(F)c1F 36601552 PYFMREOTJIPHOB-KDOFPFPSSA-N 424.423 3.072 0 40 HGAB CCn1ncc(-c2noc3nc(C4CC4)cc(C(=O)N(C)Cc4ccnn4C)c23)c1C 36618946 FSIVINUZUZOCOF-UHFFFAOYSA-N 419.489 3.298 0 40 HGAB CCc1ccccc1N1C[C@H](C(=O)NCc2ccccc2Cn2ccnc2)CC1=O 40023572 QSYNQPIPKOXPKZ-OAQYLSRUSA-N 402.498 3.163 0 40 HGAB CCCCc1nnc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C(C)(C)C)cc2)s1 40049339 SAXUPPCLAMRWBH-CYBMUJFWSA-N 424.592 3.484 0 40 HGAB COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc3[nH]c(C)cc3c2)c1 40081322 NKYIAJOCJTYDQZ-UHFFFAOYSA-N 421.906 3.307 0 40 HGAB Cc1cccc(N2CCN(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)CC2)c1 40094882 MFBFMDKSBUAOHX-UHFFFAOYSA-N 405.502 3.147 0 40 HGAB O=C(Nc1cccc(NC(=O)[C@@H]2CCCN(C(=O)N3CCCC3)C2)c1)c1ccncc1 40133455 WLWBAJGRAVFGHV-GOSISDBHSA-N 421.501 3.200 0 40 HGAB CCC(=O)N1CCCC[C@@H]1C(=O)N(C)CC(=O)Nc1ccc(Cl)c(Cl)c1 40151796 WFCKMWZCYMFKLS-OAHLLOKOSA-N 400.306 3.181 0 40 HGAB Cc1cccc(NC(=O)[C@H]2CC(=O)Nc3nc(Nc4ccc(F)cc4)[nH]c(=O)c32)c1 40399609 IXEROBORZJMRCR-HNNXBMFYSA-N 407.405 3.026 0 40 HGAB O=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)N1CCN(C(=O)C2CC2)CC1 48325057 YVOVYVFOFGKCDL-UHFFFAOYSA-N 410.440 3.392 0 40 HGAB COCCN1CCN(c2c3c(nc4cc(-c5ccc(F)cc5)nn24)CCCC3)CC1 57712253 KCAWQFBTVZUYQK-UHFFFAOYSA-N 409.509 3.183 0 40 HGAB C[C@@H]1CCCN(Cc2ccccc2CNC(=O)C(=O)N(C)c2ccc(F)c(F)c2)C1 65503833 HCQYGAKIBBMVLJ-MRXNPFEDSA-N 415.484 3.476 0 40 HGAB COc1ccc2c(c1)N[C@]1(COC3(CCN(C(=O)[C@H]4CCCO4)CC3)C1)c1cccn1-2 72327299 DHJIVAIQYIHOOT-HYBUGGRVSA-N 423.513 3.067 0 40 HGAB COc1ccc(OC)c(CN2CCNC(=O)[C@H]2Cc2cccc(-c3ccncc3)c2)c1 72351658 MXCONAMRUHUOCU-HSZRJFAPSA-N 417.509 3.309 0 40 HGAB CCC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)c2ccc(OC)cc2)cc1 95428019 URTOVRHQHOPEIO-IBGZPJMESA-N 416.499 3.080 0 40 HGAB O=C(NCc1cccnc1)[C@H]1c2ccccc2C(=O)N(C[C@@H]2CCCO2)C12CCCC2 95472558 FDSOWTJJLYPGRC-SIKLNZKXSA-N 419.525 3.429 0 40 HGAB CCCCn1c(=O)c2sccc2n2c(=O)n(CC(=O)c3ccc(C)cc3C)nc12 96321841 YCIZHNNSJOLJMW-UHFFFAOYSA-N 410.499 3.172 0 40 HGAB O=C(NCc1ccccc1)[C@H]1C[C@H](C(=O)NCc2ccccc2)N1Cc1ccccc1 98095608 ZDKQZLBPKVUZJV-DNQXCXABSA-N 413.521 3.262 0 40 HGAB Cc1cc(NS(=O)(=O)C[C@]23CC[C@@H](CC2=O)C3(C)C)ccc1N1CCCC1=O 101324464 DWOVYYNWPMDRHE-YCRPNKLZSA-N 404.532 3.259 0 40 HGAB CCOC(=O)c1ccc2c(c1)s/c(=N\C(=O)c1ccn(CC)n1)n2CCSC 101344610 ZGGMWCQQQPVHIF-VXPUYCOJSA-N 418.544 3.200 0 40 HGAB C[C@@H]1C=CC[C@H]2C(=O)N(c3ccc(C(=O)OCC(=O)Nc4ccccc4)cc3)C(=O)[C@H]12 136669278 FJTNDEXFEYLNCB-QFIXIFRTSA-N 418.449 3.184 0 40 HGAB CC(C)c1ccccc1O[C@H](C)C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21 216299540 VCQWRCGMBICDKC-MRXNPFEDSA-N 416.543 3.417 0 40 HGAB Cc1cccc(CNC(=O)[C@@H](C)N(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)c1 220201602 MKPHBNXYJIIZRK-CQSZACIVSA-N 414.449 3.485 0 40 HGAB COC(=O)c1cccc(NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2Cl)c1C 222515419 NPQDWQLTPOAKHO-UHFFFAOYSA-N 410.879 3.083 0 40 HGAB COc1cc(C)c(S(=O)(=O)NCc2nc(-c3ccccc3Cl)no2)c(C)c1 223402845 RUOZYJLNRPJWTP-UHFFFAOYSA-N 407.879 3.494 0 40 HGAB Cc1ccc(C(=O)N(C)[C@@H]2CCCC[C@H]2O)cc1N(C)S(=O)(=O)c1ccccc1 224300917 GNOHDMCNKWGZOL-TZIWHRDSSA-N 416.543 3.196 0 40 HGAB CCOc1ccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)cc1 225521054 KVRYPMSRIHWYSJ-IBGZPJMESA-N 416.543 3.111 0 40 HGAB Cc1cc(Nc2cccc(F)c2)cc([C@H]2CCN(C(=O)Cn3nc(C)nc3C)C2)n1 257206780 BEWITKCXUHVWPS-KRWDZBQOSA-N 408.481 3.497 0 40 HGAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N(CC)CC)C2)cc1Cl 408617386 CTAORRPTCYTMMX-CQSZACIVSA-N 402.944 3.008 0 40 HGAB Cc1cccc(C)c1N1C[C@H](C(=O)Oc2cccc(N3C(=O)CCCC3=O)c2)CC1=O 408668763 QZSPIJHYHOBUCN-QGZVFWFLSA-N 420.465 3.305 0 40 HGAB C[C@@H]1C=CC[C@H]2C(=O)N(c3cccc(C(=O)Nc4ccc(C(=O)O)cc4)c3)C(=O)[C@@H]12 408672906 PCVMGCAVISCKDN-ZNOIYHFQSA-N 404.422 3.339 0 40 HGAB C[C@H](NC(=O)c1ccccc1)c1nnc(SCC(=O)N[C@H](C)c2ccccc2)n1C 409138363 APECUFRFZMWBLP-CVEARBPZSA-N 423.542 3.276 0 40 HGAB CN(C)S(=O)(=O)c1cc(C(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)co1 534387888 DERZYVAYAPNGEN-FQEVSTJZSA-N 410.495 3.318 0 40 HGAB Cc1cc(C)cc(C(=O)N2CCC3(CC2)CCn2ccnc2[C@H]3NC(=O)C2CC2)c1 585091873 RLTBRFKJKIDZDW-HXUWFJFHSA-N 406.530 3.394 0 40 HGAB O=C([C@H]1CCCCO1)N1CCC(c2ccc3cc(-c4cncnc4)cnc3n2)CC1 1891233048 OHFYFVKMLIZNOO-OAQYLSRUSA-N 403.486 3.362 0 40 HGAB C[C@@H](C(=O)N1CCC(c2ccc3cc(-c4cncnc4)cnc3n2)CC1)n1cccn1 2087066790 BGPQVFVLBGATCJ-INIZCTEOSA-N 413.485 3.251 0 40 HGAB O=C(O)c1cccnc1S[C@@H]1CC(=O)N(c2ccc(OC(F)(F)F)cc2)C1=O 1041437 JGZKUTSKWGUGBS-GFCCVEGCSA-N 412.345 3.103 0 40 HGAB Cc1c(C(=O)OCC(=O)N2C[C@@H](C)O[C@H](C)C2)oc2ccc(Br)cc12 2649358 QZJRBHNRFMZSMG-GHMZBOCLSA-N 410.264 3.296 0 40 HGAB NS(=O)(=O)c1ccc(CCNC(=S)Nc2ccc(SC(F)F)cc2)cc1 3257306 QPCYTPBWORDWEE-UHFFFAOYSA-N 417.528 3.178 0 40 HGAB CN(C)[C@@H](CNC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)c1ccco1 3378647 JMMDTGNTPCFMCW-AEFFLSMTSA-N 403.910 3.204 0 40 HGAB CCOc1ccccc1C(=O)Nc1nnc(SCC(=O)N2CCCCC2)s1 4087915 JYYGHCJCVOZXMX-UHFFFAOYSA-N 406.533 3.294 0 40 HGAB Cc1cccc2cc(CN(CCCO)C(=S)NCCc3ccccc3)c(=O)[nH]c12 4131808 JYDDEKVFBWTYRB-UHFFFAOYSA-N 409.555 3.138 0 40 HGAB CC(C)CNC(=S)N(Cc1ccco1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 4160417 MIQUOTLJZOSAAR-UHFFFAOYSA-N 413.499 3.383 0 40 HGAB Cc1ccc(S(=O)(=O)NC[C@@H](c2ccco2)S(=O)(=O)c2ccc(C)cc2)cc1 4519400 UAFBVZXAKHXNNC-FQEVSTJZSA-N 419.524 3.390 0 40 HGAB CC(C)(C)OC(=O)[C@H]1[C@@H](c2ccccc2)[C@@H](C(=O)OC(C)(C)C)C(=O)C[C@]1(C)O 4671025 QVFPDSCSUILPAI-OVCNXMPXSA-N 404.503 3.410 0 40 HGAB O=C(CSc1ccc(-c2ccc(Br)cc2)nn1)NC[C@@H]1CCCO1 5108002 ILLBTCOLDMNEPU-AWEZNQCLSA-N 408.321 3.293 0 40 HGAB O=C(c1cc2c(s1)CCCC2)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 5937341 WSASANXVYCEGIQ-XNTDXEJSSA-N 416.568 3.385 0 40 HGAB O=C(COC(=O)CCCSc1nc2ccccc2s1)NC(=O)NC1CCCC1 6647347 ZQMZBISSJOOJJK-UHFFFAOYSA-N 421.544 3.480 0 40 HGAB COc1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)cs2)cc1 6680708 CZCOAAUCXFHXMN-UHFFFAOYSA-N 408.545 3.107 0 40 HGAB CCOc1cc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCCOC)ccc1O 6752842 WYVRFJILRHNYBE-QFIPXVFZSA-N 423.469 3.468 0 40 HGAB CCc1ccc(NC(=O)c2nnn(CC(=O)Nc3ccc(C(C)C)cc3)c2N)cc1 6753964 YRNRFSMLDFGWMX-UHFFFAOYSA-N 406.490 3.437 0 40 HGAB C[C@H](CCc1ccccc1)NC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 6755783 YNDFQZDLOMBOBG-QGZVFWFLSA-N 418.534 3.364 0 40 HGAB CCNC(=O)CNC(=O)CSc1nc(-c2cccs2)c(-c2cccs2)[nH]1 7241943 CXACDCTXYAPFPL-UHFFFAOYSA-N 406.558 3.211 0 40 HGAB O=C(CCCO)NCCc1nc2ccccc2n1Cc1ccc(Br)cc1 7546945 WPGFUJBCVLUMMP-UHFFFAOYSA-N 416.319 3.278 0 40 HGAB COc1ccccc1N(CC(=O)Nc1cc(Cl)ccc1Cl)S(C)(=O)=O 8169210 GJGQUVDTKYBDKV-UHFFFAOYSA-N 403.287 3.407 0 40 HGAB CC[C@H](C)NC(=O)c1ccc(NC(=O)C[C@@H]2SC(N3CCCCC3)=NC2=O)cc1 8315539 YKMSOWDHSZAFSH-YOEHRIQHSA-N 416.547 3.027 0 40 HGAB C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)CCn2ccc3ccccc32)C1=O 8707988 IBEUNHIOXVFAFX-QHCPKHFHSA-N 404.470 3.006 0 40 HGAB CCCCn1nc(C)c(/C=C2\C(=O)N(CC(=O)O)C(=O)c3ccccc32)c1Cl 8848672 ZYFRHBDZMGLOMT-YBEGLDIGSA-N 401.850 3.253 0 40 HGAB CCSc1nc(NC(C)C)c2cnn(CCNC(=O)c3ccc(F)cc3F)c2n1 8948752 NWOWIXWEFUCDPD-UHFFFAOYSA-N 420.489 3.467 0 40 HGAB CN(C)c1ccc(NC(=O)C2CCC(Cn3c(=O)[nH]c4ccccc4c3=O)CC2)cc1 8974956 KZKLBMOOSJQEIA-UHFFFAOYSA-N 420.513 3.201 0 40 HGAB CC(C)N1C(=O)NC(=O)[C@]2(Cc3ccccc3N3C[C@@H](c4ccccc4)C[C@@H]32)C1=O 8995647 PUDKKFCNAWTZLC-MFSJNOQSSA-N 403.482 3.078 0 40 HGAB O=C(NCc1ccc(Cl)c(Cl)c1)[C@@H]1CCCN(c2ncnc3[nH]cnc23)C1 9060281 JFRBAEFHVBXVAC-GFCCVEGCSA-N 405.289 3.193 0 40 HGAB CC[C@H](Sc1nnc(Cc2ccc(OC)cc2)n1C)C(=O)Nc1nnc(C)s1 9303919 CUYLDUUTMZDRTG-AWEZNQCLSA-N 418.548 3.084 0 40 HGAB C[C@@]1(c2ccc3c(c2)OCO3)NC(=O)N(Cc2c(F)c(F)c(F)c(F)c2F)C1=O 9362827 PDMFWAGWECKFJX-SFHVURJKSA-N 414.286 3.078 0 40 HGAB Nc1nc(COC(=O)CNC(=O)c2cccs2)nc2sc3c(c12)CCCCC3 10395956 PSKZLSMQIPZUPJ-UHFFFAOYSA-N 416.528 3.077 0 40 HGAB COCCn1c(SCC(=O)NC(=O)N[C@@H]2CCCC[C@H]2C)nc2ccccc21 11490237 RJHWQEDSPAPGJH-HUUCEWRRSA-N 404.536 3.179 0 40 HGAB CCOc1ccc(NC(=O)CCn2cnc3c(cnn3-c3ccc(F)cc3)c2=O)cc1 11693264 OVZDZVMNVBAZRY-UHFFFAOYSA-N 421.432 3.149 0 40 HGAB CCOc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCO)cc1OC 12111610 IYVWQMYIVYLXJA-HXUWFJFHSA-N 409.438 3.046 0 40 HGAB Cc1cc2nc([C@@H]3CCCN(C[C@@H](C)Cc4ccc5c(c4)OCO5)C3)cc(N)n2n1 12185926 CSUSDDAYRNWWRA-MAUKXSAKSA-N 407.518 3.407 0 40 HGAB COc1ccccc1OCC(=O)N1CCC(c2nnsc2-c2cc(C)no2)CC1 12224180 DTHLTMPNHABJIW-UHFFFAOYSA-N 414.487 3.295 0 40 HGAB C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)N3c4ccccc4C[C@@H]3C)cc2)C[C@@H](C)O1 12561784 YIFZLVJVNUFRDQ-YESZJQIVSA-N 414.527 3.076 0 40 HGAB O=C([C@H](c1ccccc1)n1nnc(-c2ccccc2Br)n1)N1CCCC1 12595772 WOHCMKSVHZOYQM-KRWDZBQOSA-N 412.291 3.314 0 40 HGAB COc1ccc(-c2noc(CN3CCN(C(=O)C4(c5ccccc5)CC4)CC3)n2)cc1 12759741 OKDFJBINLSHVOZ-UHFFFAOYSA-N 418.497 3.121 0 40 HGAB CCOc1cc2c(cc1NC(=O)c1cc(C)c(C)c(S(=O)(=O)NC)c1)O[C@H](C)C2 12928187 OSPYPNQEVWJBBT-CYBMUJFWSA-N 418.515 3.186 0 40 HGAB COc1cc(CNC(=O)c2nn(-c3ccccc3)c3c2CCC3)cc(OC)c1OC 12939476 DGFOLTRNDOOUSL-UHFFFAOYSA-N 407.470 3.317 0 40 HGAB C[C@H]1CCCN(C(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(C)(=O)=O)C1 13668017 JOTWGEQQDAAYMT-NSHDSACASA-N 412.861 3.383 0 40 HGAB CC(C)(C)NC(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1 13676947 CBCWAADSGOAPTC-ZDUSSCGKSA-N 407.363 3.450 0 40 HGAB C[C@H](Oc1cccc2ccccc12)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 15332362 CYNMQXIWFJINFU-SFHVURJKSA-N 424.522 3.140 0 40 HGAB CC(C)N(Cc1ccccc1)C(=O)c1ccc(N2C(=O)[C@@H](C)CS2(=O)=O)cc1 15842797 KLTLINJRWAMGBY-INIZCTEOSA-N 400.500 3.050 0 40 HGAB CCc1ccc(NC(=O)c2ccc(N3C(=O)[C@H](C)CS3(=O)=O)cc2Cl)cc1 15858404 AEVACYIWTMCJSI-GFCCVEGCSA-N 406.891 3.467 0 40 HGAB CN(CCOc1ccccc1)C(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CCCC3 15940470 INNPSHZFFASYGU-UHFFFAOYSA-N 411.527 3.333 0 40 HGAB Cc1ccc2c(c1)C[C@@]1(CN2C)C(=O)NC(=O)N([C@H](C)CCc2ccccc2)C1=O 16993831 XKZHFSRLQGIMQN-MZNJEOGPSA-N 405.498 3.073 0 40 HGAB Cc1cc(C)cc(NC(=O)C(=O)NCCCCN2CCO[C@@H](c3ccccc3)C2)c1 17010557 OKDRDGXTUYZBJA-JOCHJYFZSA-N 409.530 3.212 0 40 HGAB Cc1ccc(-c2ccccc2C[C@@H]2CN(S(=O)(=O)C(C)C)CCNC2=O)c(C)c1 19132905 QXXFLKGKWKCOBR-HXUWFJFHSA-N 414.571 3.299 0 40 HGAB Cc1ccc(C2=NO[C@H](CC3(C(=O)NCC(C)(C)CN(C)C)CCOCC3)C2)cc1 19208887 FSBJDVJTXNAVFF-FQEVSTJZSA-N 415.578 3.379 0 40 HGAB COc1ccc2c(c1)C=C(CN1CCO[C@@H](c3ccc(-c4cncnc4)cn3)C1)CO2 19692544 HOZJXIPPATYTCK-XMMPIXPASA-N 416.481 3.397 0 40 HGAB COc1ccc([C@H]2C[C@@H](NC(=O)c3ccccc3)CC[C@]23CCC(=O)N3)cc1OC 19740301 RUIACHQVRIGCKP-GLDPYIMESA-N 408.498 3.419 0 40 HGAB CCOc1ccccc1CNC(=O)[C@@H](C)N(c1ccc(C)c(C)c1)S(C)(=O)=O 20108314 RNLIDEJBKYSSRX-QGZVFWFLSA-N 404.532 3.173 0 40 HGAB COc1ccc(OC[C@H](O)Cn2c(=N)n(Cc3ccccc3)c3ccccc32)cc1 20130514 KOEKRBDEZZOVBZ-LJQANCHMSA-N 403.482 3.419 0 40 HGAB Cc1ccc(C(=O)N2CCCc3cc(S(=O)(=O)NC[C@@H]4CCCO4)ccc32)cc1 20765960 MZVLVDUNBRDOOE-IBGZPJMESA-N 414.527 3.045 0 40 HGAB CCc1c(C)n(CC(=O)Nc2cc(OC)ccc2OC)c2nc3ccccc3n2c1=O 20798433 LHLVUDPGHSOHJM-UHFFFAOYSA-N 420.469 3.176 0 40 HGAB CCCn1c(S[C@@H](C)C(=O)NC[C@H]2CCCO2)nc2sc3c(c2c1=O)CCC3 21357869 UQOZRCCWTLKLJN-QWHCGFSZSA-N 421.588 3.133 0 40 HGAB COC(=O)c1c(NC(=O)c2ccn(C)n2)sc2c1CCN(Cc1ccccc1)C2 23128151 XDABIRZZIROLAN-UHFFFAOYSA-N 410.499 3.079 0 40 HGAB O=C(CSc1ncnc2sccc12)Nc1ccc(CN2CCOCC2)cc1 23873160 BTQSPROAGVNFQL-UHFFFAOYSA-N 400.529 3.254 0 40 HGAB COc1ccc([C@@H](NC(=O)C[C@@H]2Sc3ccccc3NC2=O)c2nccn2C)cc1 24025194 DUZWQBFCZXZUKW-AZUAARDMSA-N 422.510 3.137 0 40 HGAB Cc1ccc(NC(=O)[C@H](C)N(C)CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)cc1 24763358 TXEINPWGEWCKEY-IRXDYDNUSA-N 408.502 3.018 0 40 HGAB Cc1cccc(C)c1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 30953230 UKCQXIJCFNCSMR-OAHLLOKOSA-N 400.862 3.492 0 40 HGAB O=S(=O)(Cc1ccccc1)N1CCN(Cc2coc(-c3ccc(F)cc3)n2)CC1 31601958 QVMBUJOKLUMRIS-UHFFFAOYSA-N 415.490 3.128 0 40 HGAB COc1cccc2sc(NC(=O)CCc3c(C)c4c(C)nn(C)c4[nH]c3=O)nc12 31659861 KOIPLKVNHVKKKK-UHFFFAOYSA-N 411.487 3.068 0 40 HGAB COc1ccccc1CN1C[C@H](C(=O)Nc2nnc(Cc3ccccc3)s2)CC1=O 31812549 PWWFIEBOBPDTBQ-QGZVFWFLSA-N 422.510 3.125 0 40 HGAB O=C(c1cnn(-c2ccccc2F)c1-n1cccc1)N1CCN(c2nccs2)CC1 32612297 PQQHVZOAAQINQL-UHFFFAOYSA-N 422.489 3.221 0 40 HGAB CCN(CC)[C@@H](CNC(=O)NCCOc1ccc(OC)cc1)c1cccc(OC)c1 32802478 INAAGOHLXQKPIN-QFIPXVFZSA-N 415.534 3.465 0 40 HGAB CC[C@@H](C)c1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc(C)n3)CC2)cc1 32909334 CHOVXKMXCZIVLB-MRXNPFEDSA-N 401.532 3.050 0 40 HGAB C[C@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccccn2)C1=O)c1ccc(Cl)cc1Cl 32915322 AOAWZCDKLWTBMS-WLRWDXFRSA-N 421.284 3.033 0 40 HGAB Cc1ccc2[nH]cc(CCN3C[C@H](C(=O)NCCc4ccc(F)cc4)CC3=O)c2c1 35558711 HBRFBSAJQGLGIC-LJQANCHMSA-N 407.489 3.365 0 40 HGAB CCCn1c(=O)[nH]c(=O)c2c(C(=O)N3c4ccccc4C[C@@H]3C)cc(C(C)C)nc21 40063256 NJCWLTAHBATLEC-AWEZNQCLSA-N 406.486 3.210 0 40 HGAB COc1ccccc1-c1n[nH]c(NC(=O)[C@@H]2CCCN(C(=O)c3cccs3)C2)n1 40088560 NEMIFEDIMWOWBL-CYBMUJFWSA-N 411.487 3.033 0 40 HGAB CCOC(=O)c1ccn(-c2cccc(NC(=O)c3cnn(-c4ccccc4)c3)c2)n1 40105281 PRVBKCZOVASJPR-UHFFFAOYSA-N 401.426 3.487 0 40 HGAB O=C(CCNC(=O)Nc1ccc(Br)cc1)NCc1ccc2c(c1)OCO2 40134465 CFSNCYQHCUXHMH-UHFFFAOYSA-N 420.263 3.006 0 40 HGAB C[C@H]1Oc2ccccc2N(CC(=O)N(C)[C@H](c2ccccc2)c2ccccn2)C1=O 40134810 KWKMBBMOSIVAFB-UZUQRXQVSA-N 401.466 3.444 0 40 HGAB Cc1ccc(-n2nnnc2SCc2nc(O)c3cnn(-c4ccccc4)c3n2)cc1 40152423 PWMOELRZRMEXKM-UHFFFAOYSA-N 416.470 3.098 0 40 HGAB C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 43004812 DZGNHGRCZSLNQH-MRXNPFEDSA-N 405.498 3.449 0 40 HGAB CCCCn1c(=O)c2sccc2n(CC(=O)Nc2ccc(OC)c(Cl)c2)c1=O 57427183 YBJAGZNIJLXTRQ-UHFFFAOYSA-N 421.906 3.326 0 40 HGAB COc1cc(Cl)c(C)cc1NCC(=O)N1CCN(C(=O)c2cccs2)CC1 57750089 SCKKDIAYFFALMA-UHFFFAOYSA-N 407.923 3.115 0 40 HGAB O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)N1CCC[C@@H](C2OCCO2)C1 69257226 ABGZVXYRGGYTDI-CYBMUJFWSA-N 409.895 3.094 0 40 HGAB Cc1nn(C)cc1S(=O)(=O)N1CCC[C@H](c2cccc(-c3cccc(F)c3)n2)C1 72350139 SBAKBNVDIYJCHL-KRWDZBQOSA-N 414.506 3.498 0 40 HGAB COc1ccc(S(=O)(=O)CCNC(=O)c2cc(-n3cccc3)ccc2Cl)cc1 79484404 LJBVURHNDDBURA-UHFFFAOYSA-N 418.902 3.343 0 40 HGAB Cc1ccc(F)c(N2CCC(NC(=O)c3nn(-c4ccccc4)c(C)cc3=O)CC2)c1 96003904 MLBGTYQSLOMARF-UHFFFAOYSA-N 420.488 3.387 0 40 HGAB CN(C)CCNC(=O)C[C@H]1CC2(CCN(Cc3cccnc3)CC2)c2ccccc21 96052880 WZGLVEQHSVYAOB-NRFANRHFSA-N 406.574 3.171 0 40 HGAB Cc1c(C)c2ccc(OCC(=O)NC[C@H]3CC[C@H](C(=O)O)CC3)c(C)c2oc1=O 100764755 MMUQSPGHDNRXTN-IYBDPMFKSA-N 401.459 3.104 0 40 HGAB O=C(CNC(=O)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2)OCCOc1ccccc1F 102309739 GTOGUBHCRNAHPG-VKFLQFAXSA-N 409.885 3.442 0 40 HGAB COc1ccc(OC)c(N([C@@H](C)C(=O)Nc2cccc(C)c2C)S(C)(=O)=O)c1 220209254 RRYGFMWETRFCSU-HNNXBMFYSA-N 406.504 3.114 0 40 HGAB CC[C@@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)COc1ccccc1OC 223106795 IWOXADROGKWFGB-KRWDZBQOSA-N 404.894 3.281 0 40 HGAB COc1ccc(S(=O)(=O)N(CC(=O)O)c2ccccc2Br)cc1C 224641590 JFWRFCNFIWMFTB-UHFFFAOYSA-N 414.277 3.046 0 40 HGAB Cc1ccc(S(=O)(=O)N(C)[C@@H](Cc2ccc(Br)cc2)C(=O)O)cc1 225159410 PHYLUICENKFKGD-INIZCTEOSA-N 412.305 3.074 0 40 HGAB COc1cc(CN2CCN(C(=S)Nc3ccc(F)cc3)CC2)cc(OC)c1OC 225223556 MLUODQFREHENAL-UHFFFAOYSA-N 419.522 3.366 0 40 HGAB COc1ccc(OCC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)NCC(C)C)cc1 225676800 KNUHHNCRHRJSBG-KRWDZBQOSA-N 416.493 3.403 0 40 HGAB Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H](C(=O)N(C)Cc3ccccc3)C2)c1 225923153 QSDUWXUGANRJSH-HXUWFJFHSA-N 400.544 3.363 0 40 HGAB Cc1ccccc1N1C(=O)[C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4c(Cl)cccc43)[C@@H]2C1=O 230071575 RXVQTQOBVYFGOD-FXKZBUDASA-N 421.884 3.080 0 40 HGAB CCc1ccc([C@H](C)NC(=O)[C@H]2CCN(S(C)(=O)=O)c3ccccc3O2)cc1 260795918 MYKAKDSVOMKFIS-MGPUTAFESA-N 402.516 3.044 0 40 HGAB CC(C)CCNC(=O)c1nnc2n1CC1(CC2)CCN(Cc2ccsc2)CC1 306123526 APJUFGWUTVUEPQ-UHFFFAOYSA-N 401.580 3.344 0 40 HGAB O=C(C(=O)N1CCCC1)c1cn(CC(=O)N2CCc3ccccc32)c2ccccc12 408574486 UYFQSEOBHALQPH-UHFFFAOYSA-N 401.466 3.036 0 40 HGAB COc1ccc(CNC(=O)c2ccccc2NC(=O)C(=O)NC2CCCCC2)cc1 408710335 XUZOIDJSOHAYJN-UHFFFAOYSA-N 409.486 3.013 0 40 HGAB COc1ccc(C2=NN(C(=O)COc3ccc(F)cc3)[C@](O)(C(F)(F)F)C2)cc1 409358598 MDWYZWQCJUWGFQ-GOSISDBHSA-N 412.339 3.101 0 40 HGAB O=C1CNC(=O)c2ccc(C(=O)N3C[C@H](c4ccccc4)[C@@H]4CCCC[C@@H]43)cc2N1 501393557 BJIDSJNYSWLHIG-DSKINZAPSA-N 403.482 3.167 0 40 HGAB Cc1nc(-c2ccc(S(=O)(=O)NCc3nc(C4CCSCC4)no3)cc2)co1 575616259 IJXWBDRXHJNLJN-UHFFFAOYSA-N 420.516 3.122 0 40 HGAB Cc1ccc(OC[C@]2(O)CCCN(CC(=O)NCc3ccc(F)cc3)CC2)cc1 585272279 HKRXKUCLMRRRRC-QHCPKHFHSA-N 400.494 3.046 0 40 HGAB O=C(NC[C@@H]1CCCCC1(F)F)c1cccc(S(=O)(=O)NC2CCCC2)c1 1534096102 HRRNBBAVNBRNDW-HNNXBMFYSA-N 400.491 3.463 0 40 HGAB Cn1cc(CNC2CCN([C@H]3CCCC[C@H]3O)CC2)c(-c2cc(F)ccc2F)n1 1650762993 ASENRJGGZFNDNR-LEWJYISDSA-N 404.505 3.223 0 40 HGAB CC(C)(C)OC(=O)N1CCO[C@H](c2cccc(Nc3ncc(C(=O)O)s3)n2)C1 2037835839 BIQCUYBXAHUVAP-LBPRGKRZSA-N 406.464 3.288 0 40 HGAB Brc1ccc2nc(N3CCC[C@H](COc4cnccn4)C3)ncc2c1 2298229054 IGIYOTQTNIDEKA-ZDUSSCGKSA-N 400.280 3.478 0 40 HGAB COc1ccc(NC(=O)CSc2nnc(-c3ccc(F)cc3)n2N)cc1Cl 2371767 LYKVPVNJVHQGMD-UHFFFAOYSA-N 407.858 3.191 0 40 HGAB Cc1cc(C)n2nc(C(=O)OCC(=O)Nc3ccccc3-c3ccccc3)nc2n1 2617092 YTXHTTLYACORRZ-UHFFFAOYSA-N 401.426 3.204 0 40 HGAB CCCCn1c(SCC(=O)Nc2ccc(C(N)=O)cc2)nc2ccccc2c1=O 2655514 REAQRCAPDBJSCT-UHFFFAOYSA-N 410.499 3.026 0 40 HGAB CN(C(=O)COC(=O)CNC(=O)c1ccc(-c2ccccc2)cc1)c1ccccc1 3301568 MTXKOEATOJZEII-UHFFFAOYSA-N 402.450 3.290 0 40 HGAB O=C1N[C@@]2(CCOc3ccccc32)C(=O)N1CCOc1cccc(Br)c1 3321170 OWACPZWFORMODQ-LJQANCHMSA-N 417.259 3.058 0 40 HGAB Cc1ccc(C)c2[nH]c(=O)c(CN(CCO)C(=S)NCCc3ccccc3)cc12 4132853 RSJRGAAFJKOBMC-UHFFFAOYSA-N 409.555 3.056 0 40 HGAB C[C@@H](OC(=O)c1ccc(N2C(=O)CCC2=O)cc1)C(=O)Nc1cccc(Cl)c1 4351379 RZJWWXPIBDXVBB-GFCCVEGCSA-N 400.818 3.177 0 40 HGAB Cc1cccc(-n2c(C)cn3c4c(=O)n(Cc5ccccc5)c(=O)n(C)c4nc23)c1C 4370343 OVAXIJVHYYGWDB-UHFFFAOYSA-N 413.481 3.112 0 40 HGAB CC(C)NS(=O)(=O)c1ccc(OCC(=O)N[C@H](C)c2ccccc2)c(Cl)c1 4778189 RGBZTHAKSKXYGR-CQSZACIVSA-N 410.923 3.283 0 40 HGAB COC[C@H](C)NC(=O)CSc1nnc(COc2ccccc2Cl)n1C1CC1 4791085 ZOQOMRACJBCATA-LBPRGKRZSA-N 410.927 3.089 0 40 HGAB O=C(NCc1ccc(F)cc1)[C@H]1CCCN(c2nc3ccsc3c(=O)s2)C1 4878265 PGNGEJNJZPRXOZ-ZDUSSCGKSA-N 403.504 3.390 0 40 HGAB CSc1nc(Cl)c(-c2ccccc2)c(N2CCN(C(=O)[C@@H]3CCCO3)CC2)n1 4967271 RGJIQEKLCDLXGM-HNNXBMFYSA-N 418.950 3.347 0 40 HGAB O=C(NC12CC3CC(CC(C3)C1)C2)[C@H]1CCCN(S(=O)(=O)c2cccc(F)c2)C1 4982751 FENQABCFFQTYBU-XDHFQJGLSA-N 420.550 3.311 0 40 HGAB CC(C)Oc1cccc(C(=O)NC(=S)Nc2ccccc2N2CCN(C)CC2)c1 6025965 ZYCSTGSNPQTBQQ-UHFFFAOYSA-N 412.559 3.352 0 40 HGAB CCOc1ccc(C(=O)N[C@H](C(=O)Nc2nnc(SCC)s2)C(C)C)cc1 6351210 TUZOIBVZBVBQKF-AWEZNQCLSA-N 408.549 3.442 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2[nH]c(C)c(C(C)=O)c2C)c1 6583010 NNTVFERSIKBQTL-UHFFFAOYSA-N 421.519 3.126 0 40 HGAB Cc1ccc(CN(C(=O)[C@H](C)Oc2ccc(C)c(C)c2)[C@@H]2CCS(=O)(=O)C2)o1 6810334 QNNUMDXHEFUMHX-ZWKOTPCHSA-N 405.516 3.188 0 40 HGAB Cc1ccc(C(=O)c2cn(CC(=O)NC3CCCC3)c3nc(C)ccc3c2=O)cc1 7004892 MRTOLGSMCGBVNM-UHFFFAOYSA-N 403.482 3.303 0 40 HGAB CCN(CC)C(=S)SCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1CC 7704740 HMWPHSPIRYUWSL-UHFFFAOYSA-N 414.622 3.166 0 40 HGAB O=C(CCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)N[C@H]1CCCc2ccccc21 8281471 OFAOGMLVASSKRI-FQEVSTJZSA-N 413.481 3.235 0 40 HGAB CCOc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccc(F)cc4)ccn3n2)cc1 9321174 TUMXMGGHVPKGKY-UHFFFAOYSA-N 406.417 3.340 0 40 HGAB Cc1ccccc1N1CCn2c1nc1c2c(=O)n(Cc2ccccc2Cl)c(=O)n1C 9446399 ITKRJIJIHRETRR-UHFFFAOYSA-N 421.888 3.059 0 40 HGAB Cn1c(=O)c2ccccc2n2c(CSc3nnc4sc5ccccc5n34)nnc12 9469284 LEWVPIIEAIJELA-UHFFFAOYSA-N 419.495 3.131 0 40 HGAB COc1ccc(NS(=O)(=O)c2ccc3oc(=O)c4ncn(C)c4c3c2)cc1Cl 9560703 MICKRPJQJZKHSC-UHFFFAOYSA-N 419.846 3.143 0 40 HGAB Cc1ccc(Oc2ccc(Cl)cc2NCC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 9689892 WWMHDKTZPRRUBI-HNNXBMFYSA-N 408.907 3.156 0 40 HGAB O=C(c1ccc2c(c1)OCCO2)N1CCC[C@H](c2ccnc(-c3cccnc3)n2)C1 12119317 RAVTXRWFGSHOOU-SFHVURJKSA-N 402.454 3.330 0 40 HGAB CCOc1ccc(CN2CCN(c3ccccc3[C@H](O)c3nccn3C)CC2)cc1 12143354 XIYQQWNMCSFDCW-QHCPKHFHSA-N 406.530 3.223 0 40 HGAB Cc1cccc2c(=O)n(CC(=O)N[C@H](C)c3cccc(Br)c3)cnc12 12948209 HYOHDBDUQIUJQO-CYBMUJFWSA-N 400.276 3.345 0 40 HGAB O=c1c(Cl)c(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)cnn1-c1ccccc1 13164327 LKRDUUGZUKHSCM-UHFFFAOYSA-N 421.888 3.370 0 40 HGAB COc1ccc([C@H]2CC(=O)c3cc(C(=O)Nc4cccc(O)c4)c(=O)[nH]c3C2)cc1 13363494 WCCZJEJPNCODQX-CQSZACIVSA-N 404.422 3.254 0 40 HGAB CN1C(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@@H]1Cc1c[nH]c2ccccc12 13430459 JPJWIBDSDYBOPN-VXKWHMMOSA-N 400.482 3.102 0 40 HGAB CCN(C(=O)[C@H](C)Sc1nc2cc(Cl)ccc2s1)[C@H]1CCS(=O)(=O)C1 15800142 LQHMLFSGPDRQCC-JQWIXIFHSA-N 418.993 3.466 0 40 HGAB CN(c1ccccc1)S(=O)(=O)c1ccccc1C(=O)NCc1ccc2c(c1)OCO2 16023238 UNGWYTOTOAHVAB-UHFFFAOYSA-N 424.478 3.170 0 40 HGAB CC(C)OC[C@@H](O)CN1CCN(Cc2c(-c3cccs3)[nH]c3ncccc23)CC1 19450398 UJEHQMZRGYUMAO-KRWDZBQOSA-N 414.575 3.195 0 40 HGAB CCN1CCN(Cc2nccn2CC)C[C@@H](Cc2ccc(-c3ccncc3)cc2)C1=O 19578103 ROAFKSZKEOGHOP-HSZRJFAPSA-N 417.557 3.488 0 40 HGAB COc1nn(CC(=O)Nc2ccccc2CN2CCCCCC2)c(=O)c2ccccc12 19594906 PBXQGJPSMBNQQQ-UHFFFAOYSA-N 420.513 3.420 0 40 HGAB Cc1cc(C)c(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NCC(C)C)c(C)c1 19931256 XNIXNNGOHNAHEK-HXUWFJFHSA-N 402.560 3.274 0 40 HGAB O[C@H](COc1ccccc1Br)CN1CCN(Cc2ccccc2)CC1 22030839 FNMGUWMXNDEYGN-SFHVURJKSA-N 405.336 3.007 0 40 HGAB CC(C)Oc1cccc(CNC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)c1 22330465 TYQWPCHJLMEXEO-UHFFFAOYSA-N 410.923 3.210 0 40 HGAB CCc1ccc(NC(=O)[C@H](C)N2CCN(Cc3cc(OC)ccc3OC)CC2)cc1 22786120 RVJBTSLLVDUQAB-SFHVURJKSA-N 411.546 3.411 0 40 HGAB COc1cc(-c2noc(CN3C(=O)[C@H](C)Oc4ccccc43)n2)cc(OC)c1OC 23126998 NGMMZXGXEOJSFW-LBPRGKRZSA-N 411.414 3.077 0 40 HGAB CN(CCOc1ccc(F)cc1)C(=O)c1ccc2c(=O)n3c(nc2c1)CCCCC3 24187748 GJQAGJYFFKURAO-UHFFFAOYSA-N 409.461 3.413 0 40 HGAB Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)NCCN3CCOCC3)cc12 25460202 BYXRDTOJNHNIML-UHFFFAOYSA-N 418.950 3.170 0 40 HGAB COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cc2cc(OC)ccc2nc1Cl 26067991 RDVHMAVCBWSABS-UHFFFAOYSA-N 416.861 3.478 0 40 HGAB O=C(c1cccc(S(=O)(=O)NCc2ccccc2)c1)N(Cc1cccnc1)C1CC1 28517348 ABIITNMRNPDPLZ-UHFFFAOYSA-N 421.522 3.365 0 40 HGAB Nc1nc(CSc2nc(CN3CCOCC3)nc3ccccc23)nc2ccccc12 28618483 FEOHHDJQJWQCJD-UHFFFAOYSA-N 418.526 3.280 0 40 HGAB Cc1nn(-c2ccccc2)c(C)c1CC(=O)NC[C@H](c1cccs1)N1CCOCC1 29932894 UWRZKCFPNGICKC-OAQYLSRUSA-N 424.570 3.283 0 40 HGAB CSc1cccc(N2C[C@@H](C(=O)NCc3ccc(Cn4ccnc4)cc3)CC2=O)c1 30218026 MOVXELWCMIFMQP-IBGZPJMESA-N 420.538 3.323 0 40 HGAB CC[C@@H](C(=O)NCCn1c(C)nc2ccccc21)n1nnc(-c2ccc(Cl)cc2)n1 31497962 MDIKJSKEQLUJBN-SFHVURJKSA-N 423.908 3.419 0 40 HGAB COc1ccccc1-c1nn(Cc2ccccc2)cc1C(=O)O[C@@H]1C[C@H](C)OC1=O 32736715 LSZMRYATXXLKBB-MGPUTAFESA-N 406.438 3.468 0 40 HGAB Cn1c(=O)/c(=C\c2ccccc2OCc2ccccc2)s/c1=C\C(=O)c1ccco1 32754890 KFDLINBNTZJOHI-VQIPHFLVSA-N 417.486 3.111 0 40 HGAB CSc1cccc(N2C[C@@H](C(=O)Nc3ccc4c(c3)NC(=O)[C@@H](C)O4)CC2=O)c1 32772888 DUWMJWXDKFIEQM-OLZOCXBDSA-N 411.483 3.120 0 40 HGAB COC(=O)C[C@@H](NC(=O)CCC(=O)CCC(=O)c1cccs1)c1ccccc1 32809680 LZFDNNIAMCKPGR-QGZVFWFLSA-N 401.484 3.481 0 40 HGAB Cc1nc(NC(=O)CNC(=O)c2ccccc2F)sc1-c1nccn1C(F)F 32902192 JMTUTHVGPSYDFA-UHFFFAOYSA-N 409.393 3.218 0 40 HGAB COc1ccc(CN(C)CN2C(=O)N[C@]3(C[C@H](C)CC(C)(C)C3)C2=O)c(OC)c1 34896085 BMAZDLGGYZPHGF-QRQCRPRQSA-N 403.523 3.230 0 40 HGAB CC[C@H](CCNS(=O)(=O)c1cn(CC)nc1C)n1nc(C(F)(F)F)cc1C 36614919 YCHYGBZQMAPFNJ-CYBMUJFWSA-N 407.462 3.055 0 40 HGAB O=C(NCC1(N2CCOCC2)CCCCC1)c1cc(-c2ccc(F)c(F)c2)on1 36631322 YIYTZGUZNKRXST-UHFFFAOYSA-N 405.445 3.385 0 40 HGAB COC(=O)c1ccc(Cl)c(NC(=O)c2cccc(NC(=O)[C@@H]3CCCO3)c2)c1 36708962 YBQUFSLWEQDEKJ-KRWDZBQOSA-N 402.834 3.496 0 40 HGAB CCCCn1c(=O)c2ccccc2n(Cc2nc(-c3cccc(OCC)c3)no2)c1=O 38653060 YSPBEWJNRDTXAA-UHFFFAOYSA-N 420.469 3.460 0 40 HGAB O=C1C[C@]2(CC(c3cccc(Br)n3)=NO2)C(=O)N1c1ccc(Cl)cc1 44902481 MPIXKSHTFPIQNV-QGZVFWFLSA-N 420.650 3.324 0 40 HGAB O=C(CNC(=O)C(=O)Nc1cc(Cl)cc(Cl)c1)Nc1ccc(Cl)cc1 47219396 IZRIGXCEAQSOHE-UHFFFAOYSA-N 400.649 3.340 0 40 HGAB O=C(Nc1ccc2[nH]ccc2c1)[C@H](Cc1ccccc1)NC(=O)N1CCSCC1 49549199 DYEBLWCLDZADGG-FQEVSTJZSA-N 408.527 3.476 0 40 HGAB CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(F)cc1C(=O)O 58433886 GKXBHZNSSXYVME-UHFFFAOYSA-N 418.240 3.486 0 40 HGAB C[C@@H](Cc1cccc(F)c1)C(=O)NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1 60338748 ZEVMBDCRKZLWDY-INIZCTEOSA-N 417.912 3.123 0 40 HGAB Cc1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3ccc4c(c3)OCO4)c3ccccc32)o1 72193837 YPFHADIDIKDODL-QHCPKHFHSA-N 405.406 3.324 0 40 HGAB CC(C)(O)CN(CC(=O)Nc1ccc(N2CCCCCC2)cc1)C1CCOCC1 72308460 NZGDEOIJDUVBHC-UHFFFAOYSA-N 403.567 3.257 0 40 HGAB Cc1cccc(C)c1NC(=O)CN1CCN(CCN(C)Cc2ccc(F)cc2)CC1 72309048 CISBOUKXDSSBCI-UHFFFAOYSA-N 412.553 3.131 0 40 HGAB O[C@H](CN1CC=C(c2nc3c(c(N4CCOCC4)n2)CCCC3)CC1)c1ccccc1 72339504 WJAVWVKEQMNFDM-HSZRJFAPSA-N 420.557 3.015 0 40 HGAB O=C(c1cccc(C(F)(F)F)c1)N1CCN(C(=O)c2ccc3c(c2)COCO3)CC1 78965362 VIEIQJFEXXLJPC-UHFFFAOYSA-N 420.387 3.170 0 40 HGAB CSc1cc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(C)s3)C2)ccn1 95452245 QIDQQLUSYUQUKL-ZDUSSCGKSA-N 411.574 3.213 0 40 HGAB COCCn1cc(C(=O)Nc2cccc(-c3n[nH]c(COC)n3)c2)c2ccccc21 95475266 RAHXCFCSOIZUKV-UHFFFAOYSA-N 405.458 3.472 0 40 HGAB CC(C)N1CCN(C(=O)[C@H]2c3c(ncn3C(C)C)CCN2Cc2ccccc2)CC1 96037546 XJTZJYYFGGDVBM-HSZRJFAPSA-N 409.578 3.116 0 40 HGAB COc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC(=O)Cn1ncc2ccccc2c1=O 96224246 VREKLIRUHAWPIK-FQEVSTJZSA-N 402.454 3.080 0 40 HGAB O=c1c(CN2CCCCCC2)coc(O)c1CN1CCN(Cc2ccccc2)CC1 101375045 BYTSCENOBFZUJW-UHFFFAOYSA-N 411.546 3.039 0 40 HGAB Cc1ccc(S(=O)(=O)Oc2ccccc2N2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1 102634408 MSLRWRSKBBTZPK-IQGAEYHTSA-N 411.479 3.298 0 40 HGAB O=C(CCCN1C(=O)c2ccccc2S1(=O)=O)NCCCc1ccccc1Cl 219441415 RNIKEBOXRSSUAE-UHFFFAOYSA-N 420.918 3.014 0 40 HGAB O=C(O[C@@H]1C(=O)N(c2ccccc2)C(=O)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 219720604 UFSLLONQAFXJCD-BGYRXZFFSA-N 415.401 3.011 0 40 HGAB COc1ccc(CNC(=O)[C@H](C)N(c2ccc(C)c(Cl)c2)S(C)(=O)=O)cc1 220358099 ZNIIOGZHIVCWQM-AWEZNQCLSA-N 410.923 3.128 0 40 HGAB CS(=O)(=O)N(CCCC(=O)NC1CCCCCCC1)c1ccc2c(c1)OCCO2 222673033 KKLWFIBRXRDCHS-UHFFFAOYSA-N 424.563 3.233 0 40 HGAB CC(C)CNS(=O)(=O)c1ccc(CCC(=O)N(C)Cc2ccccc2F)cc1 222844012 RXDTTWCWEPBDHS-UHFFFAOYSA-N 406.523 3.351 0 40 HGAB COc1ccc(S(=O)(=O)NCCSc2nc(-c3ccccc3)n[nH]2)cc1Cl 222979533 NFPYUHFJSYYWMN-UHFFFAOYSA-N 424.935 3.204 0 40 HGAB COc1ccc(-c2noc(CNS(=O)(=O)c3c(C)cc(C)cc3C)n2)c(OC)c1 223758682 PXDVREAUFLEPDK-UHFFFAOYSA-N 417.487 3.158 0 40 HGAB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCc3ccccn3)cc2C)cc1 224208326 SYIGJEDZGVHQDB-UHFFFAOYSA-N 409.511 3.454 0 40 HGAB CC[C@@H](NS(=O)(=O)c1ccc(OC)c(C)c1C)c1ccc(S(C)(=O)=O)cc1 224251095 ZAYXUFBCVLMZDV-QGZVFWFLSA-N 411.545 3.145 0 40 HGAB CCOC(=O)CN(c1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc(OC)cc1 224866005 JTEZABJJANUPHW-UHFFFAOYSA-N 417.405 3.472 0 40 HGAB CCCSc1nnc(NC(=O)CN(c2cccc(C)c2C)S(C)(=O)=O)s1 225175615 JXGMMGZRHKXDLT-UHFFFAOYSA-N 414.578 3.062 0 40 HGAB O=C(NCCN1Cc2cc(Cl)ccc2OCC1=O)c1ccc(-n2cccc2)cc1 225771671 YQQBUCZTMGDTTI-UHFFFAOYSA-N 409.873 3.282 0 40 HGAB COc1cccc(N(C)C(=O)[C@@H]2CCCN(S(=O)(=O)c3cc(C)ccc3C)C2)c1 225920724 USTHQBWNMQLARS-GOSISDBHSA-N 416.543 3.376 0 40 HGAB COCCOc1ccc(CN2C[C@@H]3ON=C(c4ccccc4F)[C@H]3C2)cc1OC 247913471 VJZZKAWLTLRZGT-UWJYYQICSA-N 400.450 3.094 0 40 HGAB Cc1nccn1[C@H](C)CC(=O)N1[C@H]2CC[C@H]1CC(O)(Cn1ccc3ccncc31)C2 247940500 GDFBIKVFAVZOJU-UXPWSPDFSA-N 407.518 3.077 0 40 HGAB Cc1noc(C)c1C(=O)NC[C@H]1CC[C@H](C(=O)NCCN2CCc3ccccc32)CC1 257232764 GMIAMPQTNKIROY-KESTWPANSA-N 424.545 3.007 0 40 HGAB CO[C@H]1CN(CC(=O)Nc2nc(-c3ccc(F)cc3)cs2)CC[C@]12CCCO2 257286300 PLBUIMHNPQUYSB-FXAWDEMLSA-N 405.495 3.158 0 40 HGAB C[C@]1(O)CN(CC(=O)Nc2ccccc2OC(F)F)CC[C@@H]1Oc1ccccc1 257315203 VAJISGWISPZYQZ-RXVVDRJESA-N 406.429 3.131 0 40 HGAB COc1ccccc1[C@H](C)NC(=O)[C@H](C)N(c1cc(C)ccc1OC)S(C)(=O)=O 260767905 QMFZSXNCWDUEBU-HOTGVXAUSA-N 420.531 3.044 0 40 HGAB C[C@@H](C(=O)N[C@H](C)c1ccc2c(c1)CCC2)N(c1cccc(F)c1)S(C)(=O)=O 260941241 RVWUNRSGOGYUSD-CABCVRRESA-N 404.507 3.346 0 40 HGAB O=C1COC[C@H](C[C@@H]2CN(C(=O)CCn3ccc4ccccc43)c3ccccc32)N1 519656750 BYPVFNUCFNOHQS-MOPGFXCFSA-N 403.482 3.067 0 40 HGAB O=C(CSc1nc(O)c2c[nH]nc2n1)N1Cc2ccccc2[C@H](c2ccccc2)C1 576131967 XUAWXPDBGXYHJI-SFHVURJKSA-N 417.494 3.325 0 40 HGAB CN(C)S(=O)(=O)c1ccc(C(=O)NC[C@@H](c2ccco2)c2cccs2)cc1 585146812 SQDREJZUXMPUTH-INIZCTEOSA-N 404.513 3.153 0 40 HGAB CC(C)(C)c1ccc(OC[C@@H]2CCN(C(=O)C[C@@H]3COc4ccccc4O3)C2)nn1 1888879503 UZSNUDCZHJTIIX-IAGOWNOFSA-N 411.502 3.232 0 40 HGAB O=C(c1cccc(C(F)(F)F)n1)N1CCC2(CC1)CN(c1ccccc1)C(=O)CO2 2037988482 MXYQAIRDNGPHKL-UHFFFAOYSA-N 419.403 3.139 0 40 HGAB C[C@H](C(=O)OCC(=O)Nc1ccc(Cl)c(Cl)c1)N1C(=O)c2ccccc2C1=O 941665 WERYBJPIOOJKEW-SNVBAGLBSA-N 421.236 3.160 0 40 HGAB Cc1ccc2c(c1)[C@]1(S[C@@H](CC(=O)O)C(=O)N1c1ccc(Cl)cc1)C(=O)N2 1610111 JACIJGQBKSMLHZ-KXBFYZLASA-N 402.859 3.377 0 40 HGAB CCOC(=O)[C@@](NC(=O)c1cccc(Cl)c1)(Nc1nnc(C)s1)C(F)(F)F 2050068 SITLEKIMAPBSRN-CQSZACIVSA-N 422.816 3.164 0 40 HGAB O=C(CSc1nnc(-c2ccccc2)n1Cc1ccc2c(c1)OCO2)NC1CC1 2665194 ARENZKVQFCWBCH-UHFFFAOYSA-N 408.483 3.093 0 40 HGAB O=C(COC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(F)cc1 2674890 PGJYTQQXHMSHBY-UHFFFAOYSA-N 405.447 3.040 0 40 HGAB O=C(CCc1c[nH]c2ccccc12)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 2726193 YYKGAEDBHFUANW-UHFFFAOYSA-N 421.482 3.330 0 40 HGAB COc1ccc(CCNC(=O)COC(=O)CCC(=O)c2ccc(Cl)cc2)cc1 3271238 DIEVHWVMFLZUNW-UHFFFAOYSA-N 403.862 3.214 0 40 HGAB CC(=O)Nc1ccc(NC(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)s2)cc1 3318977 IMFHWPDDDBFPQP-UHFFFAOYSA-N 421.544 3.062 0 40 HGAB COCCNC(=O)CSc1nc2ccccc2c(=O)n1CCC1=CCCCC1 3565189 BZJKKIWSKLTSHD-UHFFFAOYSA-N 401.532 3.142 0 40 HGAB COc1ccc(CC(=O)Nc2nnc(SCC(=O)Nc3ccccc3)s2)cc1 4077721 BDSXVORELZTRGV-UHFFFAOYSA-N 414.512 3.459 0 40 HGAB Cc1cc(C)c2cc(CN(CCCO)C(=S)NCCc3ccccc3)c(=O)[nH]c2c1 4132459 BVBQIRUWUAUPSS-UHFFFAOYSA-N 423.582 3.447 0 40 HGAB O=C(COC(=O)c1ccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)cc1)c1ccccc1 4133985 NYSTXURAOWURQL-RTBURBONSA-N 407.422 3.332 0 40 HGAB COc1ccc([C@H]2C(C(N)=O)=C(C)Nc3nc(-c4cccc(C)c4)nn32)cc1OC 4574607 SPISIKHIWDIMQV-IBGZPJMESA-N 405.458 3.045 0 40 HGAB CC(C)[C@@H](C)NC(=O)CSc1nc2scc(-c3ccccc3)c2c(=O)n1N 4596969 GVOCXPIPXCPONK-GFCCVEGCSA-N 402.545 3.092 0 40 HGAB O=C(N1CCCCCC1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 4666983 FGMJUHHJVLAQTF-UHFFFAOYSA-N 401.532 3.142 0 40 HGAB Cc1nc(NCCNS(=O)(=O)c2ccc(F)cc2)c2c3c(sc2n1)CCCC3 4848569 WLYAGNSCRIEIRK-UHFFFAOYSA-N 420.535 3.408 0 40 HGAB COc1ccc(NC(=O)CSc2nncn2-c2ccccc2OC)c(OC)c1 4894889 JEXSPHJFWWSPKO-UHFFFAOYSA-N 400.460 3.024 0 40 HGAB Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H]2c4ccccc4C=NN2[C@H]3C(=O)C(C)(C)C)cc1 5054177 FFSUGNKQQRZUEM-IVAOSVALSA-N 415.493 3.489 0 40 HGAB C[C@H](OC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)C(=O)Nc1ccc2ccccc2c1 5239863 ZMQYETYYAGOBNK-MAUKXSAKSA-N 406.438 3.352 0 40 HGAB CCN(CC)CCCNC(=O)c1cc2cccnc2n(Cc2ccc(F)cc2)c1=O 5304918 BKMWTPGGEUYGPU-UHFFFAOYSA-N 410.493 3.046 0 40 HGAB Cc1ccc(OCc2nnc(SCC(=O)N[C@H](C)c3ccccc3)n2N)c(C)c1 5321027 LLABZTXULLJAAU-MRXNPFEDSA-N 411.531 3.157 0 40 HGAB CCn1c(SCC(=O)OCc2ccc(C(=O)OC)cc2)nnc1-c1ccco1 5568111 PNGDBMJJINDDOS-UHFFFAOYSA-N 401.444 3.180 0 40 HGAB CC(=O)[C@H](CN1CCOCC1)[C@@H](c1ccccc1)c1c(O)c2ccccc2oc1=O 5832066 WYSBRMWWVGTIDC-PZJWPPBQSA-N 407.466 3.168 0 40 HGAB COc1ccc(NC(=O)COC(=O)c2cc(OC)c(OC)c(OC)c2)cc1Cl 6611329 RZXFQNJRRDOJEW-UHFFFAOYSA-N 409.822 3.170 0 40 HGAB Cc1cc(C)c(S(=O)(=O)NCC(=O)Nc2ccccc2Br)c(C)c1 7249233 IBEIZLHQTUGZLO-UHFFFAOYSA-N 411.321 3.291 0 40 HGAB CCCNC(=O)[C@H]1CN(CC(=O)Nc2cc(Cl)ccc2C)c2ccccc2O1 7275752 OVYUHQAKJUMKNY-LJQANCHMSA-N 401.894 3.381 0 40 HGAB Cc1sc2ncn(CC(=O)N(C)CCOc3ccc(Cl)cc3)c(=O)c2c1C 7479270 AZXRRFAMHCEDKS-UHFFFAOYSA-N 405.907 3.266 0 40 HGAB O=C1Cc2cc(S(=O)(=O)N3CCC(c4nc5ccccc5s4)CC3)ccc2N1 8231469 XIGVDSANIXBBNU-UHFFFAOYSA-N 413.524 3.359 0 40 HGAB Cc1cc(Br)cc(Cl)c1OC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O 8345823 WNVKQUUFXHZADM-MRXNPFEDSA-N 415.671 3.037 0 40 HGAB O=C(CN(Cc1cccs1)C[C@H]1CCCO1)Nc1ccc(N2CCOCC2)cc1 8706887 DTXRJJOMJYTOCW-HXUWFJFHSA-N 415.559 3.204 0 40 HGAB CNC(=O)CN(c1cc(OC)c(Cl)cc1Cl)S(=O)(=O)c1ccc(F)cc1 8925812 OAXYMGSNLALSST-UHFFFAOYSA-N 421.277 3.082 0 40 HGAB CSc1nc(NCC(C)C)c2cnn(CCNC(=O)c3ccc(F)cc3F)c2n1 8943113 YXNSOLBHYSBLJO-UHFFFAOYSA-N 420.489 3.324 0 40 HGAB O=C(NCCc1c[nH]c2ccccc12)c1ccccc1S[C@@H]1CCS(=O)(=O)C1 9377520 DZNKTYNESGECHN-MRXNPFEDSA-N 414.552 3.420 0 40 HGAB O=C(CCNc1nc(Cl)nc2[nH]cnc12)NCCc1c[nH]c2ccc(Cl)cc12 9420596 SGSZNRCVPKYWOT-UHFFFAOYSA-N 418.288 3.302 0 40 HGAB C[C@@H](NC(=O)CN(c1ccccc1)S(=O)(=O)N(C)C)c1ccc(C(C)(C)C)cc1 10111982 SXIGOGLKKVIACO-QGZVFWFLSA-N 417.575 3.474 0 40 HGAB CC[C@H](Oc1ccccc1)C(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 10214815 BKHPXLOZIVOWJU-IBGZPJMESA-N 410.470 3.450 0 40 HGAB O=C(NCCCNC(=O)c1ccc(Br)o1)c1ccc2ccccc2n1 10313627 PJCBKJIWSOSQQP-UHFFFAOYSA-N 402.248 3.140 0 40 HGAB CCOc1ccccc1NC(=O)CSc1ncnc2c1nnn2-c1ccc(F)cc1 11758608 UOJMQGYLCQGJDY-UHFFFAOYSA-N 424.461 3.479 0 40 HGAB CC1(C)O[C@H]2[C@H]3OC(C)(C)O[C@H]3[C@H](C(=O)Nc3ccccc3C(F)(F)F)O[C@@H]2O1 11851672 GSQCRPFGOPNVJK-YMSVYLFOSA-N 417.380 3.040 0 40 HGAB Cc1ccc2c(c1)C(=O)N[C@@]1(CC[C@H]3CN(C(=O)c4cc(C(C)(C)C)nn4C)C[C@H]31)N2 12086334 JCPYVBZYYIZBMG-KPNPRUKOSA-N 421.545 3.060 0 40 HGAB CCOc1ncccc1C(=O)N1CCC[C@@H](c2nc3ccc(F)cc3cc2C(N)=O)C1 12255955 VDXFLGSWKWZYSK-CQSZACIVSA-N 422.460 3.286 0 40 HGAB COc1ccc(OC)c([C@H]2CCCN2S(=O)(=O)c2ccc(CCC(=O)O)cc2)c1 12806392 IBVCOAYLSMTJCS-LJQANCHMSA-N 419.499 3.247 0 40 HGAB O=S(=O)(NCc1ccc(Cn2cccn2)cc1)c1ccc(OC(F)(F)F)cc1 12853411 BYKHZCNLJJYTPK-UHFFFAOYSA-N 411.405 3.309 0 40 HGAB O=C(Nc1ccccc1Br)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 12871580 JRTWDHYNMOXZLK-LBPRGKRZSA-N 417.259 3.212 0 40 HGAB O=C(O)Cc1csc(SCC(=O)NCc2ccccc2OC(F)(F)F)n1 12925390 FTSSMWTWBOWNNE-UHFFFAOYSA-N 406.407 3.077 0 40 HGAB C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCCSCc1ccccc1 12992379 BBENEINKCOZRQA-AWEZNQCLSA-N 412.964 3.056 0 40 HGAB O=c1ccc(-c2cccs2)nn1CC1(O)CCN(CCCc2ccccc2)CC1 13267103 LHACSLGSNRKDRK-UHFFFAOYSA-N 409.555 3.432 0 40 HGAB Cc1ccc([C@@H]2[C@H](C(=O)OCC(C)C)C(=O)C[C@](C)(O)[C@@H]2C(=O)OCC(C)C)cc1 13552795 HPCNXPUAEASMIE-YOEKFXIASA-N 418.530 3.433 0 40 HGAB COc1ccccc1[C@H](C)NC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 15471884 LAEADSDOUQCTLW-INIZCTEOSA-N 402.516 3.361 0 40 HGAB COc1ccccc1-c1noc(Cn2nnc(-c3cccc(C(=O)OC(C)C)c3)n2)n1 15546395 JGLJWROMLYRDFI-UHFFFAOYSA-N 420.429 3.012 0 40 HGAB O=C(c1ccco1)N1CCN([C@@H](c2ccccc2F)c2nnnn2C2CCCC2)CC1 19347817 QALZPQNOVKEFRA-FQEVSTJZSA-N 424.480 3.068 0 40 HGAB O=S(=O)(c1cccc(Cl)c1)N1CCC[C@@H](c2nnc(-c3ccccn3)o2)C1 19403314 NLUMXWXKUUJECZ-CYBMUJFWSA-N 404.879 3.353 0 40 HGAB CC(C)N1CCc2nc3cc(C(=O)N[C@@H](C)CCc4ccco4)ccc3c(=O)n2CC1 19448611 FAKAMZCWEIAKTG-KRWDZBQOSA-N 422.529 3.007 0 40 HGAB CCN1CCN(C(=O)Cn2cccn2)C[C@H](Cc2ccc(-c3ccccc3)cc2)C1=O 19527331 ZABVBHIAFLPXDC-QHCPKHFHSA-N 416.525 3.100 0 40 HGAB CNC(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CCCN(C(=O)CCOC)C1 19591079 VODYXLPUVDTLII-QFIPXVFZSA-N 400.544 3.349 0 40 HGAB CCOc1ccc([C@@H]2CCCN2C(=O)c2cc(S(=O)(=O)NC)ccc2F)cc1 19659621 HDLBIXBCGWGHEB-IBGZPJMESA-N 406.479 3.110 0 40 HGAB Cc1ccc2c(c1)cc(C(=O)NCc1ccc(S(=O)(=O)N3CCCC3)cc1)n2C 19661159 VEEZACUGIAEHNX-UHFFFAOYSA-N 411.527 3.201 0 40 HGAB Cc1n[nH]cc1C(=O)N1CCC(c2nc(N(C)C)ncc2-c2ccccc2F)CC1 19694860 SROANWZCWFAJIV-UHFFFAOYSA-N 408.481 3.400 0 40 HGAB Cc1ccc([C@@]2(O)CCN(C(=O)c3cc(N4CCOCC4)nc4ccccc34)C2)cc1 19718080 AUXWYHNCQZSBAA-RUZDIDTESA-N 417.509 3.114 0 40 HGAB Cc1cc(C)cc(N2C(=O)/C(=C/NCCCN3CCOCC3)c3ccccc3C2=O)c1 19881351 ASHVDEHATPUUSH-HAVVHWLPSA-N 419.525 3.143 0 40 HGAB O=C(COc1ccc(Cl)cc1S(=O)(=O)N1CCCC1)Nc1ccc(F)cc1 19935276 RLMCNNAHZLEUQB-UHFFFAOYSA-N 412.870 3.281 0 40 HGAB CC[C@H](Oc1cccc(Cl)c1)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 20111172 WYDAZGQZAXQQLI-IBGZPJMESA-N 422.934 3.031 0 40 HGAB COc1ccccc1-c1cnn2c1N=C(O)C[C@H]2C(=O)Nc1ccc2c(c1)OCO2 20717583 ATHCFGJAVWFROD-HNNXBMFYSA-N 406.398 3.459 0 40 HGAB COC(=O)c1cccc(NC(=O)CSc2nnc(COc3cccc(C)c3)o2)c1 20760048 BXOCUTKLUJHGPM-UHFFFAOYSA-N 413.455 3.474 0 40 HGAB CCOC(=O)[C@@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@@H]1c1ccc(CC)cc1 20802135 XEAZBKHMCCVLHR-LEWJYISDSA-N 421.497 3.360 0 40 HGAB CS(=O)(=O)N(CC(=O)N[C@H]1CCCc2ccccc21)c1ccc(F)c(Cl)c1 22365895 MAZPUKNLYLQTQG-SFHVURJKSA-N 410.898 3.439 0 40 HGAB Cc1ccc(S(=O)(=O)NC[C@@H](c2cccs2)N2CCOCC2)c(Cl)c1 22514260 GTGJDFQHSAORMZ-HNNXBMFYSA-N 400.953 3.062 0 40 HGAB COc1ccc(CCS(=O)(=O)NCC2CCN(Cc3ccccc3)CC2)cc1 23127662 PPAQWWUIDZKJRC-UHFFFAOYSA-N 402.560 3.069 0 40 HGAB O=C(NCc1ccccc1CN1CCOCC1)c1cc(F)ccc1Br 24990936 MCONNZNYMSZKLW-UHFFFAOYSA-N 407.283 3.350 0 40 HGAB O=C(CN(Cc1ccco1)C(=O)[C@H]1CC(=O)Nc2ccccc21)Nc1ccccc1 25002163 PUQHXCAKKZELLA-IBGZPJMESA-N 403.438 3.373 0 40 HGAB Cc1ccc2c(=O)cc(C(=O)N3CCCN(CCc4ccncc4)CC3)oc2c1C 27912413 SZMZBQWIBQBCIL-UHFFFAOYSA-N 405.498 3.195 0 40 HGAB Cc1c([C@@H](C)NC(=O)c2cccc(NS(C)(=O)=O)c2)cnn1-c1ccc(F)cc1 29282202 BHZJNVPLMYHIHK-CYBMUJFWSA-N 416.478 3.182 0 40 HGAB Cc1ccccc1C(=O)N1CCC(C(=O)N2CCN(C)C[C@H]2c2ccccc2)CC1 30029475 VRDVPNZMNPXSPW-QHCPKHFHSA-N 405.542 3.363 0 40 HGAB COc1ccc(S(=O)(=O)N(C)Cc2ccc(Cl)cc2)cc1N1CCCC1=O 30855211 BPZGAHPFOOUUNJ-UHFFFAOYSA-N 408.907 3.296 0 40 HGAB Cc1nn(-c2ncnc3[nH]cnc23)c2c1[C@@H](c1cccc(OC(C)C)c1)CC(=O)N2 31811184 HRRSJXVUQSKOCS-OAHLLOKOSA-N 403.446 3.108 0 40 HGAB Cc1nc(NC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2)sc1-c1nccn1C 32796026 OTURPEQOCFTCTA-GFCCVEGCSA-N 415.906 3.497 0 40 HGAB CCOc1ccc(S(=O)(=O)Nc2ccc(-n3nc(C)cc3NC(C)=O)cc2)cc1 32833604 KAUWHQHQOWOGNY-UHFFFAOYSA-N 414.487 3.339 0 40 HGAB COc1ccc(C)cc1NC(=O)[C@H]1CC(=O)N(CCc2ccc(OC)c(OC)c2)C1 33005243 KSICUYHOIMMAQF-KRWDZBQOSA-N 412.486 3.051 0 40 HGAB C[C@@H](NC(=O)c1ccccc1)c1nnc(SCC(=O)Nc2cccc(F)c2)n1C 33765327 ZOFWVWKKINXGBJ-CYBMUJFWSA-N 413.478 3.176 0 40 HGAB O=C(NC12CC3CC(CC(C3)C1)C2)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 35289347 ABDIVXSFXQICMB-KXDMBUCYSA-N 406.523 3.064 0 40 HGAB Cc1sc(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)c(C(=O)NC2CCCC2)c1C 35897783 AKDBQQILZLOGFY-OQUILHJVSA-N 402.516 3.499 0 40 HGAB CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)CSc1ccc(F)cc1 36185401 RCUCBEGEHIOMGO-UHFFFAOYSA-N 404.463 3.176 0 40 HGAB COc1ccccc1CCNC(=O)c1ccc(Cn2cnc3ccccc3c2=O)o1 36360204 LPNIXKKSEMOFPJ-UHFFFAOYSA-N 403.438 3.019 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(CNC(=O)N(C)Cc2ccsc2)s1 40068910 POEXKIWNONBWIF-UHFFFAOYSA-N 401.579 3.182 0 40 HGAB Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1cccc([C@]2(C)NC(=O)NC2=O)c1 40117793 GRYVBZJRCYMBMN-YUNKPMOVSA-N 401.850 3.109 0 40 HGAB CCc1nn2c(ncc3c(=O)n(-n4c(C)nnc4C)ccc32)c1-c1ccc(Cl)cc1 40397475 BUKZPAQSUHMUNJ-UHFFFAOYSA-N 419.876 3.447 0 40 HGAB O=C(Nc1cccc(OC[C@H]2CCCO2)c1)[C@H]1CCCN(C(=O)N2CCCC2)C1 42726689 HOMBRYJCIAWOOI-FXAWDEMLSA-N 401.507 3.111 0 40 HGAB COC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)c3ccc(C)cc3C)CC2)cc1 46813844 AMKJLAAYQUWZHF-UHFFFAOYSA-N 415.511 3.374 0 40 HGAB CCN1CCN(Cc2ccccc2CNC(=O)Cc2c(C)[nH]c3ccccc23)CC1 49734242 JWXMTWHOZXVYLC-UHFFFAOYSA-N 404.558 3.473 0 40 HGAB COc1ccc(-c2cc3nn(CC(=O)Nc4cccc(Cl)c4)c(=O)n3c(C)n2)cc1 65196745 MQQWWICWTYZLGO-UHFFFAOYSA-N 423.860 3.167 0 40 HGAB O=C(NC[C@H]1CCCO1)c1cc2ccc(O)cc2o/c1=N\c1ccc2c(c1)OCCO2 67298544 YZRWBFFETVBCNT-NPPSCJOGSA-N 422.437 3.051 0 40 HGAB C[C@H]1CN(C(=O)CN2N=C(C(C)(C)C)Cn3c(cc4sccc43)C2=O)C[C@@H](C)O1 72334883 XYDQZZYODNUTFT-OKILXGFUSA-N 416.547 3.197 0 40 HGAB COC(=O)COc1c(C)cc(C(=O)N2CCc3cc(OC)c(OC)cc3C2)cc1C 79053275 FATWWQZHFBFFND-UHFFFAOYSA-N 413.470 3.071 0 40 HGAB O=C(CNS(=O)(=O)c1cccc(C(F)(F)F)c1)N1CCC[C@@H]1C1CCCC1 84380053 VMDOKNTZURCRCZ-MRXNPFEDSA-N 404.454 3.165 0 40 HGAB CCOCCNc1cc(=O)n2cc(C)cc([C@@H](C)Nc3ccccc3C(=O)OC)c2n1 95079984 VBTTWBNPRCUJFB-MRXNPFEDSA-N 424.501 3.411 0 40 HGAB CC(C)N1CCc2c(nc3cc([C@H]4CCCN4C(=O)C4CCCCC4)nn3c2O)C1 100234258 RKVLJOXKSMJJFS-HXUWFJFHSA-N 411.550 3.445 0 40 HGAB O=S(=O)(NCC[C@H](CCO)c1ccccc1)c1ccc(OC(F)(F)F)cc1 206628040 HTLPVVKUVFOLCP-OAHLLOKOSA-N 403.422 3.420 0 40 HGAB CCSc1nnc(NC(=O)[C@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)s1 223307725 SQNPHGREMNCQQH-VIFPVBQESA-N 420.969 3.097 0 40 HGAB COc1cccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)c1OC 225045384 MFSKYECLUUBWPY-UHFFFAOYSA-N 419.484 3.213 0 40 HGAB Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)NCCCc3ccccc3)s2)c1 225379601 ICSASEZNAZRARG-UHFFFAOYSA-N 416.528 3.010 0 40 HGAB COc1ccc(-c2noc(CNC(=O)COc3cccc(C(F)(F)F)c3)n2)cc1 225815071 FYEVQTKCKOVRFN-UHFFFAOYSA-N 407.348 3.459 0 40 HGAB Cn1ccnc1C(=O)N1CC[C@@]2(C)[C@@H]1CCC(=O)N2Cc1ccc(C(F)(F)F)cc1 257262397 LLFCLJJCKSJZQE-JXFKEZNVSA-N 420.435 3.235 0 40 HGAB CC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](CCNC(=O)Cc4ccccc4F)OCC[C@@]31C2 257301446 RYLJKEISFZPCLX-PTAIDSQPSA-N 416.537 3.221 0 40 HGAB CCn1cc(CN2C[C@@H]3c4cc(-c5ccc(F)cc5)ccc4S(=O)(=O)[C@H]3C2)cn1 306140392 USEGVXDPURBOES-IRLDBZIGSA-N 411.502 3.464 0 40 HGAB Cc1ccc(NC(=O)CN2C(=O)N/C(=C\c3c(O)ccc4ccccc34)C2=O)cc1 409015688 PMOPPQRYVHDTEB-UNOMPAQXSA-N 401.422 3.385 0 40 HGAB COCCN1C(=O)S/C(=C/c2cc(OC)c(OC)cc2Br)C1=O 409132048 OGUIANKNVLZYCZ-NTUHNPAUSA-N 402.266 3.149 0 40 HGAB COC1(c2nc(CC(F)(F)F)no2)CCN(Cc2cnc3ccc(C)cn23)CC1 571706232 XMAROAQSDWCMDZ-UHFFFAOYSA-N 409.412 3.268 0 40 HGAB C[C@H]1c2nc(CC(=O)NCc3ccco3)cn2CCN1C(=O)c1cc2ccccc2[nH]1 585097039 FAXJNZIHRCKDTG-HNNXBMFYSA-N 417.469 3.033 0 40 HGAB C[C@H](c1ccccc1)N1C[C@]2(COCCN(c3cc(C(F)(F)F)ncn3)C2)CC1=O 585104724 SEKSVNCZJCEVGZ-QRWLVFNGSA-N 420.435 3.312 0 40 HGAB COc1ccc(Nc2nc(C(=O)N3CCc4ccccc4[C@H]3C(N)=O)cs2)cc1 673664552 GFWDIAFNCYIOMD-SFHVURJKSA-N 408.483 3.120 0 40 HGAB Cc1cccc(O[C@@H](C)C(=O)N2CCC(Cn3nc4c(cc3=O)CCCC4)CC2)c1C 1775965909 JYWBCHCOTHPYPI-IBGZPJMESA-N 423.557 3.445 0 40 HGAB COc1cccc(N2CCN(c3nc4c(S(C)(=O)=O)cccc4s3)CC2)c1 1889253723 GXJGYTGFFXENDT-UHFFFAOYSA-N 403.529 3.035 0 40 HGAB CCCCC(=O)N1CCC[C@](COc2ccccc2)(CC(=O)N2CCOCC2)C1 2037905417 BRCDMRBDYFKBCJ-QHCPKHFHSA-N 402.535 3.113 0 40 HGAB O=c1c([C@@H]2NCCc3c2[nH]c2ccccc32)c(O)nc(S)n1CCc1ccccc1 1322939 GUDYFMZGYBKFRU-FQEVSTJZSA-N 418.522 3.197 0 40 HGAB biogenic COCCCN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccccc2C)C1=O 2114178 NVQOBVDOJJDKDQ-XUZZJYLKSA-N 417.509 3.198 0 40 HGAB biogenic CC(C)CC(=O)N[C@@H](N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2)C(Cl)(Cl)Cl 2137341 MFGUWGFMUWXDMB-DCGLDWPTSA-N 420.768 3.126 0 40 HGAB COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)CN1CCC[C@@H](C)C1 2296098 MIJMCROWXZIUCA-LLVKDONJSA-N 408.296 3.387 0 40 HGAB O=C(CCC(=O)NCCc1c[nH]c2ccccc12)NCCc1c[nH]c2ccccc12 3132859 DUSPZGXAJJHBIC-UHFFFAOYSA-N 402.498 3.447 0 40 HGAB CC(=O)c1cccc(NC(=O)COC(=O)c2ccccc2I)c1 3391447 BRFYRFIVIBZPFN-UHFFFAOYSA-N 423.206 3.289 0 40 HGAB COc1ccc(Br)c(C(=O)OCC(=O)Nc2ccc3c(c2)OCCO3)c1 3405413 BBTRIAYVHMXLLK-UHFFFAOYSA-N 422.231 3.024 0 40 HGAB O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1)NCC(F)(F)F 3447585 RZCDBSIIXYUINW-UHFFFAOYSA-N 411.380 3.295 0 40 HGAB O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)NC(=O)NC1CCCC1 3516287 DJRNTFLDKFCJMT-UHFFFAOYSA-N 411.487 3.388 0 40 HGAB Cc1cnc(C(=O)OCC(=O)c2cc(C)n(C[C@@H]3COc4ccccc4O3)c2C)cn1 3545133 YOZCFBJMFFQYLV-QGZVFWFLSA-N 421.453 3.083 0 40 HGAB CN1C(=O)N[C@H](c2ccc(F)cc2)[C@@H](C(=O)c2cccs2)[C@]1(O)C(F)(F)F 4162521 LWGIRDKQTGACFI-ZENOOKHLSA-N 402.369 3.333 0 40 HGAB O=C(NC12CC3CC(CC(C3)C1)C2)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 4217850 NXMCSMDMUCWUKU-ONUXSRJRSA-N 402.560 3.172 0 40 HGAB O=S(=O)(NC[C@H](c1cccs1)S(=O)(=O)c1ccccc1)c1cccs1 4553832 JFTSCLLNPVDJPR-OAHLLOKOSA-N 413.567 3.303 0 40 HGAB CCCOC(=O)c1ccc(N2C[C@@H](C(=O)OCC(=O)c3ccccc3)CC2=O)cc1 4610579 LWOOXYPVZFHOLS-SFHVURJKSA-N 409.438 3.032 0 40 HGAB CCOC(=O)C1=NN[C@H](C(=O)c2ccc(Br)cc2)[C@@H]1c1ccccc1 4954718 JBQOKHWOJIVBDI-HOTGVXAUSA-N 401.260 3.307 0 40 HGAB Cc1cc(C(=O)CN2C(=O)N[C@](C)(c3cc(F)ccc3F)C2=O)c(C)n1C1CC1 5218916 WKCFXGSRYGTKIW-OAQYLSRUSA-N 401.413 3.368 0 40 HGAB CCOc1ccc(NC(=O)Cn2cnc3ccc(Br)cc3c2=O)cc1 6112283 XBKGHIMGVVHNNS-UHFFFAOYSA-N 402.248 3.196 0 40 HGAB CCCn1c(NC(=O)[C@@H](NS(=O)(=O)c2ccccc2)C(C)C)nc2ccccc21 6144113 JZLDISFGNISBKB-IBGZPJMESA-N 414.531 3.388 0 40 HGAB CCOc1ccc(Br)cc1S(=O)(=O)Nc1cccc(C(=O)OC)c1 6650187 WBBQXTRHUJQCGN-UHFFFAOYSA-N 414.277 3.435 0 40 HGAB O=C(CCn1c(=O)oc2ccc(Cl)cc21)N1CCN(c2ccccc2F)CC1 6719384 ZCWILVAABXEAJI-UHFFFAOYSA-N 403.841 3.126 0 40 HGAB COc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N3CCCCC3)c2)cc1OC 7360391 JOINBJMOFWZDLM-UHFFFAOYSA-N 418.515 3.439 0 40 HGAB COc1cccc(N2CCN(C(=O)[C@H]3CC(=O)N(c4ccccc4Cl)C3)CC2)c1 7777206 YTZMFHYFFJZFNF-INIZCTEOSA-N 413.905 3.050 0 40 HGAB COc1ccc(NC(=O)CN(c2ccc(F)c(F)c2)S(C)(=O)=O)cc1Cl 8040877 CYIRDILXVBNANY-UHFFFAOYSA-N 404.822 3.032 0 40 HGAB O=C(CCc1ccsc1)NN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O 8132067 RSDZUNJGKGJCJU-UHFFFAOYSA-N 405.479 3.208 0 40 HGAB CC(C)(C)c1ccccc1OCC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 8558679 AOWWRXRJAKAWIO-UHFFFAOYSA-N 410.514 3.436 0 40 HGAB CC(=O)c1ccc(NC(=O)C[C@H]2SC(Cc3nc4ccccc4[nH]3)=NC2=O)cc1 8746564 SFLVVKWNQXKUKJ-QGZVFWFLSA-N 406.467 3.377 0 40 HGAB COc1cccc(NC(=O)CC[C@@H]2N=C(O)N(CCc3c[nH]c4ccccc34)C2=O)c1 8879971 VSPQRDAZVJXTPP-FQEVSTJZSA-N 420.469 3.263 0 40 HGAB biogenic CCOc1ccc(N2C[C@@H](CNS(=O)(=O)c3ccccc3Cl)CC2=O)cc1 9036133 QPIDGVCXLFFLMT-CQSZACIVSA-N 408.907 3.070 0 40 HGAB CN(CC(=O)Nc1sc2c(c1C(N)=O)CCCC2)Cc1ccc(OC(F)F)cc1 9170942 JZPGVRNLXJDCOZ-UHFFFAOYSA-N 423.485 3.398 0 40 HGAB COc1ccc(S(=O)(=O)N(Cc2cc3ccccc3[nH]c2=O)CC(C)C)cc1 9487653 DHGPXMBMVKDBHX-UHFFFAOYSA-N 400.500 3.384 0 40 HGAB COc1ccc(Cl)cc1NC(=O)CSC1=NS(=O)(=O)c2ccccc2N1 9530227 LRDQLWCKVYTIFT-UHFFFAOYSA-N 411.892 3.191 0 40 HGAB C=C1c2ccccc2C(=O)N1CC(=O)Nc1nc2ccccc2n1CCN(CC)CC 11560607 HPTBNWFQLZUXGU-UHFFFAOYSA-N 417.513 3.443 0 40 HGAB CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(N2CCCC2=O)c(C)c1 11743942 IKOJVUZQKFAGKU-OAQYLSRUSA-N 418.497 3.289 0 40 HGAB COc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCCO)cc1OC 11917637 DTGNVLRZBRCJGZ-FQEVSTJZSA-N 409.438 3.046 0 40 HGAB COc1ccccc1OCC(=O)N1CCC(c2nc(O)cc(-c3ccccn3)n2)CC1 12256425 MLBSBDUDGOFERI-UHFFFAOYSA-N 420.469 3.038 0 40 HGAB CSCC[C@@H](NC(=O)c1nc(-c2ccccc2)n(-c2ccc(C)cc2)n1)C(=O)O 12462104 UKBOMXRLBDDYBQ-QGZVFWFLSA-N 410.499 3.179 0 40 HGAB biogenic,in-vitro Cc1cc(NC(=O)[C@H](C)SCC(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)no1 12581329 UHLKEQXFTRPQGH-BBRMVZONSA-N 413.503 3.283 0 40 HGAB O=C(Nc1ccc(F)cc1Cl)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 12753458 HJWVXOKTPKGGER-CQSZACIVSA-N 412.870 3.189 0 40 HGAB O=c1[nH]c2ccc(S(=O)(=O)N3CCc4sccc4[C@@H]3c3cccs3)cc2[nH]1 12761706 NJVCQQXAOAVMRG-QGZVFWFLSA-N 417.537 3.316 0 40 HGAB Cc1ccccc1C(=O)N1CCC(C(=O)N(C)CC(=O)Nc2cccc(F)c2)CC1 12774432 KUTRFIPQOKJDOY-UHFFFAOYSA-N 411.477 3.083 0 40 HGAB O=C(CNC(=O)C12CC3CC(CC(C3)C1)C2)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 12791032 XJXWLBPRDOKNNA-JQZCCEMDSA-N 424.541 3.454 0 40 HGAB C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N(C)Cc1ccccc1Br 12876924 NWPCYPQVGQAGRF-NSHDSACASA-N 403.280 3.078 0 40 HGAB CNS(=O)(=O)Cc1ccccc1CNC(=O)c1sc(-c2ccsc2)nc1C 12897223 SUNKUHHCLDHKHQ-UHFFFAOYSA-N 421.569 3.159 0 40 HGAB Cc1noc(C)c1CSCC(=O)N(C)CC(=O)Nc1ccc(F)c(F)c1F 12902328 IQZDAQOUTKIRBR-UHFFFAOYSA-N 401.410 3.039 0 40 HGAB COc1ccc(N2C[C@H](C(=O)Nc3nc4ccc(F)cc4s3)CC2=O)c(OC)c1 12909589 AURMEYVPCZQMNV-LLVKDONJSA-N 415.446 3.444 0 40 HGAB CNC(=O)c1ccc(NC(=O)CN(Cc2ccc3c(c2)OCO3)C2CCCC2)cc1 12912161 WYKXSSWRBYLXQY-UHFFFAOYSA-N 409.486 3.158 0 40 HGAB COc1cc(CCNC(=O)c2ccc(C(F)(F)F)nc2O)ccc1OC(F)F 12929465 MLIVBBHRVIQHFS-UHFFFAOYSA-N 406.307 3.389 0 40 HGAB O=C(CNC(=O)c1cccc(Cl)c1)Nc1ccc(I)cc1 12934139 ZBPCZDJVACSLHZ-UHFFFAOYSA-N 414.630 3.313 0 40 HGAB Cn1nc(C(C)(C)C)cc1NC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 12989558 USMJPSBITOZFBR-LBPRGKRZSA-N 419.323 3.472 0 40 HGAB COc1ccc(F)cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccccc2C)C1 13580591 DSNVQFPMFVJSKU-HNNXBMFYSA-N 406.479 3.182 0 40 HGAB O=C(Nc1ccccc1)[C@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1 13681526 JNOIOTMOELPLIW-OAQYLSRUSA-N 408.479 3.423 0 40 HGAB Cc1cnc(NC(=O)Cc2csc(NS(=O)(=O)c3ccc(F)cc3)n2)s1 13687798 QUIANZZTEQVKFB-UHFFFAOYSA-N 412.493 3.029 0 40 HGAB COC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(CCc3c[nH]c4ccc(F)cc34)C2)cc1 13944874 HZFAXXMMVCVOEQ-INIZCTEOSA-N 423.444 3.123 0 40 HGAB COc1ccccc1CNC(=O)CCc1c(C)nc2nc(C(F)(F)F)nn2c1C 14237365 WCTUKUCRFGFUCX-UHFFFAOYSA-N 407.396 3.018 0 40 HGAB CN(c1ccc(OCC(=O)NCc2cccs2)cc1)S(=O)(=O)c1cccs1 14359060 ZDEWAGBHYRZAOF-UHFFFAOYSA-N 422.553 3.330 0 40 HGAB O=C(Nc1ccc(CN2CCOCC2)cc1)c1cccc(I)c1 16399217 VXIAYPRAZZQWSX-UHFFFAOYSA-N 422.266 3.376 0 40 HGAB Cc1c(C)n(C)c2ccc(C(=O)N3CCO[C@H](c4nc(-c5ccncc5)no4)C3)cc12 19554622 FEIYLRFJELFFGS-FQEVSTJZSA-N 417.469 3.454 0 40 HGAB Cc1n[nH]c(C)c1CNC(=O)C1(Cc2cc(-c3ccccc3F)no2)CCOCC1 19579027 XQUFBGKHDRSPRH-UHFFFAOYSA-N 412.465 3.476 0 40 HGAB COc1ccc(S[C@@H](C)C(=O)Nc2ccccc2C(=O)N2CCOCC2)cc1 19934800 KAULJXFEQDRVRR-HNNXBMFYSA-N 400.500 3.287 0 40 HGAB Cc1cc(S(=O)(=O)NC(C)C)ccc1OCC(=O)Nc1ccc(F)c(F)c1F 20021773 RMKLYXOBHURXQV-UHFFFAOYSA-N 416.421 3.117 0 40 HGAB COc1ccc(N(CC(=O)NCc2ccc(Cl)cc2Cl)S(C)(=O)=O)cc1 20237009 RKDZQKYYQBZJKP-UHFFFAOYSA-N 417.314 3.084 0 40 HGAB COC(=O)CSc1nc2nc3c(cn2n1)C(=O)C[C@@H](c1ccc(C(C)C)cc1)C3 20671742 SSENZEKGQZZVMY-HNNXBMFYSA-N 410.499 3.426 0 40 HGAB COC(=O)[C@@H](NC(=O)N1CCc2nc[nH]c2[C@H]1c1cc(Cl)ccc1F)C(C)C 20730784 ULLHXMBKRXYFJM-DOTOQJQBSA-N 408.861 3.057 0 40 HGAB COc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2C(=O)NCc2ccccc2Cl)c1 22229646 FJYZPTXPQLVHDY-GOSISDBHSA-N 422.934 3.127 0 40 HGAB Cc1ccc2c(c1)[C@@H](NC(=O)CN(c1ccc(F)cc1)S(C)(=O)=O)CC(C)(C)O2 22335711 HKWQEBWASYRDNT-SFHVURJKSA-N 420.506 3.319 0 40 HGAB O=C(O[C@@H](C(=O)N1CCCC1)c1ccccc1)c1ccc(CN2CCOCC2)cc1 22835524 LJPIUALHTGPTHX-JOCHJYFZSA-N 408.498 3.039 0 40 HGAB COc1ccc(CCC(=O)N2CCN(c3cc(C)nc(C(C)C)n3)CC2)cc1OC 24218232 XIPYUPSPAPSRGJ-UHFFFAOYSA-N 412.534 3.207 0 40 HGAB O[C@H](COc1ccc(Br)cc1)CN1CCN(c2ccc(F)cc2)CC1 26781655 ADSJQIDDMMZGJH-SFHVURJKSA-N 409.299 3.150 0 40 HGAB COc1ccc(-c2nnc(SCC(=O)Nc3ccc(F)cc3F)nc2O)cc1 32778617 GCLQBZXNVAMHFV-UHFFFAOYSA-N 404.398 3.262 0 40 HGAB [CH2-]c1c2ccccc2nc(SCC(=O)Nc2cc3c(cc2Cl)OCO3)[n+]1C 32858342 NOPUVJGUNPWZCD-UHFFFAOYSA-N 401.875 3.354 0 40 HGAB CCc1ccc([C@@H](NC(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C2CC2)C(C)C)cc1 32908358 DYMQTZFFMYHIRP-IBGZPJMESA-N 406.486 3.109 0 40 HGAB O=C(CN1C(=O)N[C@@H](CCc2ccccc2)C1=O)Nc1ccc(N2CCCCC2)cc1 32910611 VZOMAXUDRVVNNR-NRFANRHFSA-N 420.513 3.169 0 40 HGAB CCC(=O)Nc1ccccc1-c1nnc(SCC(=O)Nc2ccccc2)nc1O 35378051 XBVOLHHUYAQYOV-UHFFFAOYSA-N 409.471 3.324 0 40 HGAB CC[C@@H](C)[C@@H](NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc(Cl)cc1)C(=O)OC 36584638 LZQXNDIRDZVDCF-NJAPINKUSA-N 404.898 3.308 0 40 HGAB COc1ccc(Cl)cc1N(CC(=O)N[C@@H](C)c1ccc(F)cc1)S(C)(=O)=O 38772318 UUMMZYDNOKVUJJ-LBPRGKRZSA-N 414.886 3.131 0 40 HGAB Cc1ccc(NC(=O)Cn2c(C)nc3c(c2=O)CN(Cc2ccccc2)CC3)cc1C 49400761 QYTBBSYZRUMMQF-UHFFFAOYSA-N 416.525 3.366 0 40 HGAB COc1ccc(NC(=O)CN2CCN(c3ccc(C(C)=O)cc3)CC2)cc1Cl 57378464 APQQTWUJXBUPBJ-UHFFFAOYSA-N 401.894 3.312 0 40 HGAB COCCn1c(SCC(=O)Nc2ccc(C)c(F)c2)nc2ccsc2c1=O 57425775 XGOFSVBZVLWAGD-UHFFFAOYSA-N 407.492 3.283 0 40 HGAB Cc1cccc(N(C)C(=O)Cn2c(=O)n(-c3ccccc3C)c(=O)c3sccc32)c1 57489834 OALFKLIGMVOIMF-UHFFFAOYSA-N 419.506 3.494 0 40 HGAB CCC[C@@H](c1nnnn1C[C@H]1CCCO1)N1CCN(c2cc(Cl)ccc2C)CC1 57670284 CRVHXDDCXYMEDM-MOPGFXCFSA-N 418.973 3.477 0 40 HGAB CON(C)C(=O)c1ccccc1NS(=O)(=O)c1cc(Br)ccc1C 58191881 DONHIOSUMUNGLW-UHFFFAOYSA-N 413.293 3.192 0 40 HGAB O=C(NCCCN1CCCC1)NC[C@H]1CCN(c2cccc(Br)c2)C1 65512324 QFLFLFONEAJZCS-MRXNPFEDSA-N 409.372 3.061 0 40 HGAB COc1cc2c(cc1OC)n(Cc1cccc(C(F)(F)F)c1)c(=O)n1nc(C)nc21 65534290 KACVDQGLRJRFBL-UHFFFAOYSA-N 418.375 3.437 0 40 HGAB O=C(c1cnc2ccc(F)cc2c1N1CCN(c2ccccn2)CC1)N1CCCC1 67288011 RJPTYQYKXKYYEH-UHFFFAOYSA-N 405.477 3.332 0 40 HGAB Nc1nc(N2CC=C(c3ccccc3)CC2)ncc1C(=O)NCc1ccccc1F 71772280 BIYWBVAFRMINRF-UHFFFAOYSA-N 403.461 3.422 0 40 HGAB CCN(Cc1ccc(OC)c(OC)c1)C(=O)CSc1nc2ccccc2c(=O)[nH]1 72278388 KNJBIRPSTXDXQM-UHFFFAOYSA-N 413.499 3.081 0 40 HGAB Cc1cc(C(F)(F)F)nn1CCc1cc(=O)[nH]c(N[C@@H]2CCOc3ccccc32)n1 72391456 UGCBDXDHYYPYLO-OAHLLOKOSA-N 419.407 3.472 0 40 HGAB COCCN(C)CC[C@H](NC(=O)C(=O)Nc1ccc(C)cc1Cl)c1ccccc1 78751627 IWWJGPKCTQLLAA-IBGZPJMESA-N 417.937 3.413 0 40 HGAB COc1ccc(-c2cnc3n2CCN(C)C32CCN(Cc3nccs3)CC2)cc1 96037074 UAGKCEWBSNYUQW-UHFFFAOYSA-N 409.559 3.452 0 40 HGAB O=C(CCN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)NCC1(c2ccccc2F)CCCC1 100774011 GZEOZVIYKOQQFO-SNHGZMDHSA-N 412.505 3.175 0 40 HGAB CSc1nc2ccc(NC(=O)CCN3C(=O)[C@H]4CC=CC[C@@H]4C3=O)cc2s1 102125780 MGHQZPWBEBVHOU-STQMWFEESA-N 401.513 3.298 0 40 HGAB CS(=O)(=O)N(CC(=O)Nc1ccccc1C(F)(F)F)c1ccc(F)cc1F 220083343 ZOIMBCPMNBCXKN-UHFFFAOYSA-N 408.348 3.388 0 40 HGAB CC[C@@H](C(=O)N(C)Cc1ccc(OC)cc1)N(c1cccc(C)c1)S(C)(=O)=O 220492746 UFWUKUNHUUSNPC-FQEVSTJZSA-N 404.532 3.207 0 40 HGAB CC[C@H](C(=O)Nc1ccc(C(=O)OC)cc1)N(c1cc(C)ccc1C)S(C)(=O)=O 220533263 SGVIYBIFSQWBPS-GOSISDBHSA-N 418.515 3.273 0 40 HGAB CCOC(=O)c1ccc(C)c(NC(=O)c2cc(N(C)S(C)(=O)=O)ccc2Cl)c1 222501724 QCAOTDMSBZOTMB-UHFFFAOYSA-N 424.906 3.473 0 40 HGAB COc1ccc(NS(=O)(=O)c2cc3oc(=O)n(C)c3cc2Cl)cc1Cl 223346611 NJLPCWGBKFOQNC-UHFFFAOYSA-N 403.243 3.248 0 40 HGAB COc1cccc(CN(C)C(=O)c2ccc(C)c(N3CCCCS3(=O)=O)c2)c1 224516061 HBATWBDWNYVYCU-UHFFFAOYSA-N 402.516 3.206 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1C2 225183924 CKBOOPKFUAIBCO-QKLQHJQFSA-N 420.575 3.107 0 40 HGAB COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc[nH]2)cc1 225205617 YGHJYWGMAMYKMO-VQTJNVASSA-N 407.499 3.172 0 40 HGAB CCCCNC(=O)CN(CCc1ccccc1)S(=O)(=O)c1cc(C)ccc1C 225940006 VLTMPOPFXDFJFZ-UHFFFAOYSA-N 402.560 3.453 0 40 HGAB CC(C)(C)c1ccc(S(=O)(=O)NC(=O)c2cccc(N3CCCC3=O)c2)cc1 257282068 OSFDEXOAPDYCQA-UHFFFAOYSA-N 400.500 3.230 0 40 HGAB CNC(=O)c1sc2nc([C@]3(C)CCCN(C(=O)c4ccccc4)C3)ccc2c1N 257294020 QSCNPNODXIUXAR-JOCHJYFZSA-N 408.527 3.432 0 40 HGAB Cc1nnc(NC(=O)COC(=O)c2cc(-c3ccc(C=O)o3)ccc2Cl)s1 408600197 WTWAOIYIGOYCLN-UHFFFAOYSA-N 405.819 3.368 0 40 HGAB COc1ccc(N(Cc2ccc(Br)cc2)S(C)(=O)=O)cc1OC 408627903 RHLWZUDICGBPLF-UHFFFAOYSA-N 400.294 3.433 0 40 HGAB COc1cccc(CNC(=O)c2ccccc2NC(=O)C(=O)NC2CCC(C)CC2)c1 408709791 HWGLILGFSUDVTR-UHFFFAOYSA-N 423.513 3.259 0 40 HGAB CCOc1ccccc1NC(=O)COc1ccc(S(=O)(=O)N[C@H](C)CC)cc1 409201123 VKWUPZYBKLQGNS-OAHLLOKOSA-N 406.504 3.180 0 40 HGAB Cc1nn(CCNC(=O)c2ccccc2S(=O)(=O)C(F)F)c(C)c1-c1ccco1 575616059 UYCXDVZXFZCEDP-UHFFFAOYSA-N 423.441 3.186 0 40 HGAB Cc1cccnc1Nc1cc(C[C@H]2CCCN(C(=O)/C=C/c3cnn(C)c3)C2)ncn1 585291870 UNPWGTPXTKMJGX-LKGOPFMKSA-N 417.517 3.152 0 40 HGAB O=C(Cc1c[nH]c2ccccc12)N1CC[C@H](c2ccccc2F)S(=O)(=O)CC1 585394720 CVLPCQYCCCEZIK-HXUWFJFHSA-N 400.475 3.238 0 40 HGAB O=C1NC[C@]2(CCCCCOc3ccccc31)CCCN(C(=O)C1CCOCC1)C2 643559316 FEIPUWKNUSZKHF-DEOSSOPVSA-N 414.546 3.405 0 40 HGAB Cc1ccccc1CN1CC(=O)NCCCCCOc2ccc(CC(=O)O)cc2C1 643574743 NLWYHLAIHDZPIQ-UHFFFAOYSA-N 410.514 3.303 0 40 HGAB CC(=O)N1CCCCCCCN(CC(=O)N2C[C@@H](C)O[C@H](C)C2)Cc2ccccc21 643576145 WWZSPCFHOXMGHM-WOJBJXKFSA-N 415.578 3.441 0 40 HGAB C[C@@H](CCC(=O)O)[C@@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3C[C@@H](O)[C@]12C 2060993462 BHQCQFFYRZLCQQ-QFCMFBTMSA-N 408.579 3.449 0 40 HGAB O=S(=O)(c1ccccc1)c1nnn2c1nc(NCc1ccco1)c1ccccc12 2688113 PXQOQUHUTKWPLS-UHFFFAOYSA-N 405.439 3.315 0 40 HGAB C[C@H](OC(=O)Cn1nnc(-c2ccccc2)n1)C(=O)Nc1cccc(Cl)c1Cl 3321436 NMSNGGJPFNSAKP-NSHDSACASA-N 420.256 3.217 0 40 HGAB COC(=O)c1cc(Br)ccc1NC(=O)CCNC(=O)c1cccc(C)c1 3324142 KQFMQBSELVJGEW-UHFFFAOYSA-N 419.275 3.303 0 40 HGAB COc1cc(/C=C/C(=O)OCC(=O)Nc2cccc(C(C)=O)c2)cc(OC)c1OC 3415309 HFVPDIWURQNVIU-CMDGGOBGSA-N 413.426 3.110 0 40 HGAB Cc1c(NC(=O)CSc2ncnc3sccc23)c(=O)n(-c2ccccc2)n1C 3604461 IFFMANZNNWGZPV-UHFFFAOYSA-N 411.512 3.220 0 40 HGAB O=C(COC(=O)c1ccccc1N1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O)c1ccccc1 4157200 VXPZAGCEUKQWSA-LPTDTENNSA-N 401.418 3.038 0 40 HGAB CCOC(=O)c1ccc(CN2C(=O)S[C@@H](Nc3cccc(C(=O)O)c3)C2=O)cc1 4271905 RGTMKFONKNOYBC-MRXNPFEDSA-N 414.439 3.195 0 40 HGAB CCS(=O)(=O)c1ccccc1C(=O)Nc1sc2c(c1C(N)=O)CC[C@H](C)C2 4585749 SGTLIXLSMBVNOG-NSHDSACASA-N 406.529 3.018 0 40 HGAB O=C(NCc1ccc(F)cc1)C(=O)Nc1c2c(nn1-c1ccc(F)cc1)CSC2 4941723 BYXNZYCUOBUJIQ-UHFFFAOYSA-N 414.437 3.152 0 40 HGAB Cc1cc(OCC(=O)Nc2ccccc2C(N)=O)c2c3c(c(=O)oc2c1)CCCC3 5346748 SNMHHEUQAHBXBK-UHFFFAOYSA-N 406.438 3.097 0 40 HGAB COc1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1N1CCCCC1=O 5441872 HBKDZBLJZZRNEV-UHFFFAOYSA-N 414.458 3.490 0 40 HGAB COc1ccc([C@H](CNS(=O)(=O)c2cccc(Br)c2)N(C)C)cc1 6650153 QQNPPTQBJXAKSF-KRWDZBQOSA-N 413.337 3.039 0 40 HGAB CCn1c(SCC(=O)c2ccc3c(c2)CCC3)nc2cc(S(N)(=O)=O)ccc21 6977004 KHWAWMMDESWJPN-UHFFFAOYSA-N 415.540 3.167 0 40 HGAB Cc1ccc(CNC(=O)[C@H](C)Sc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)cc1 7095171 QABBHJNUYKIYSN-HNNXBMFYSA-N 419.510 3.214 0 40 HGAB CCN(CC)C(=O)c1ccc(NC(=O)c2ccc3c(c2)nc(C)c(=O)n3CC)cc1 7279978 HWSDCMNLCVLHAW-UHFFFAOYSA-N 406.486 3.459 0 40 HGAB CN(C)S(=O)(=O)c1cccc(C(=O)Nc2ccc3c(c2)nc2n3CCCCC2)c1 7725399 SUJFODCPSSRKAP-UHFFFAOYSA-N 412.515 3.265 0 40 HGAB CCCCn1c(SCC(=O)c2ccc(OC)c(Br)c2)n[nH]c1=O 8075604 JMERJORGMLCNCT-UHFFFAOYSA-N 400.298 3.118 0 40 HGAB O=C(CCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)N1CC[C@@H]2CCCC[C@@H]2C1 8216235 LOVFYBVYTUVVBV-DLBZAZTESA-N 405.502 3.080 0 40 HGAB COc1ccc(Cn2nnnc2S[C@H](C)C(=O)N[C@@H]2CCCc3ccccc32)cc1 8327247 PXWNRNPKCIXGDY-FOIQADDNSA-N 423.542 3.404 0 40 HGAB CN1CCN(c2oc(-c3ccco3)nc2S(=O)(=O)c2ccc(Cl)cc2)CC1 8844620 PTZZMQYJOKYVMV-UHFFFAOYSA-N 407.879 3.173 0 40 HGAB COc1ccc(CNc2nc3nc(C)c(Cc4ccccc4)c(O)n3n2)cc1OC 9012745 RUDZWLURBAGKNR-UHFFFAOYSA-N 405.458 3.358 0 40 HGAB Cc1cc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)Nc3cccc5ccccc35)[C@@H]4C2=O)no1 9303547 AXKDXJQYOWITQX-RKCFAAOBSA-N 401.422 3.061 0 40 HGAB CS(=O)(=O)c1cccc(NCC(=O)N[C@H](c2ccccc2)c2cccs2)c1 10184804 UFIFVBQUWNEBAZ-HXUWFJFHSA-N 400.525 3.469 0 40 HGAB COc1ccccc1N1C(=S)N[C@@H](c2cccc(C#N)c2)C(C(=O)N(C)C)=C1C 10354957 YDZXKJDOCQXIDP-FQEVSTJZSA-N 406.511 3.365 0 40 HGAB CNC(=O)c1nn(CN(C)Cc2ccc3cc(OC)ccc3c2)c(=O)c2ccccc12 10913435 RLJRLVGTAXTMPQ-UHFFFAOYSA-N 416.481 3.007 0 40 HGAB O=C(CCNC(=O)NCc1ccccc1)Nc1cccc(NC(=O)c2ccco2)c1 11201693 RVRZPFKCPMPEEK-UHFFFAOYSA-N 406.442 3.360 0 40 HGAB Cc1cc(NC(=O)C2CCC3(CC2)CNC(=O)c2cc(Cl)ccc2O3)nn1C 12087244 HDAQFEQTPHLGGY-UHFFFAOYSA-N 402.882 3.072 0 40 HGAB Cc1ccc2c(c1)C(=O)N([C@@H](C)C(=O)N1CCCCCC1)CC1(CCN(C)CC1)O2 12142643 OXTCFOLYUXNWBX-IBGZPJMESA-N 413.562 3.085 0 40 HGAB CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCCN(C(=O)Cn4cccn4)C3)cc2N1 12183594 PBTFTDFOPZAWLZ-SQWLQELKSA-N 410.444 3.183 0 40 HGAB COc1ccccc1O[C@@H](C)C(=O)N1CCC[C@@H](c2noc(-c3cnc(C)cn3)n2)C1 12187755 SXRMGWZLWUDXNL-JKSUJKDBSA-N 423.473 3.017 0 40 HGAB O=C(Nc1ccc2c(c1)OCCO2)c1ccc(Cl)c(N2CCCCS2(=O)=O)c1 12195219 JUUPJZUYZUCWMK-UHFFFAOYSA-N 422.890 3.294 0 40 HGAB Cn1ccnc1C(=O)c1ccc(NC(=O)CCNC(=O)c2ccc(Cl)cc2)cc1 12556669 LTNHVFLNSCDROU-UHFFFAOYSA-N 410.861 3.063 0 40 HGAB C[C@H](NC(=O)CN1C(=O)C(=O)N(Cc2cccs2)C1=O)c1cccc2ccccc12 12567023 QGLOZSWYARZVFI-AWEZNQCLSA-N 421.478 3.070 0 40 HGAB CCN(c1ccccc1)S(=O)(=O)c1ccc(N2CCN(c3ccccn3)CC2)nc1 12631207 NKLPNUJVORBNQT-UHFFFAOYSA-N 423.542 3.018 0 40 HGAB Cc1ccccc1C(=O)N(CCC(C)C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 12757388 CISUXBDGJSDJBS-UHFFFAOYSA-N 420.513 3.168 0 40 HGAB O=C(NCc1ccc(CN2CCOCC2)cc1)c1cccc(OC[C@H]2CCCO2)c1 12974194 GGDDZZCDLGKMCR-HSZRJFAPSA-N 410.514 3.007 0 40 HGAB O=S1(=O)N[C@H](C2CCN(Cc3ccc4ccccc4n3)CC2)Nc2ccccc21 13267686 SXBNCQWACWQORJ-JOCHJYFZSA-N 408.527 3.177 0 40 HGAB CSCC[C@@H](NC(=O)N1CC(O)=Nc2ccccc21)C(=O)NCc1ccccc1 13548314 DCLLAAFYYBLILO-QGZVFWFLSA-N 412.515 3.242 0 40 HGAB NC(=O)C1CCN(c2ccc(NCc3cc4cc5c(cc4[nH]c3=O)CCC5)cc2)CC1 13563491 DWILANSXFKGATN-UHFFFAOYSA-N 416.525 3.331 0 40 HGAB CCN(CC)C(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C1 13682148 GFAFRIFSRRILNK-CYBMUJFWSA-N 407.363 3.404 0 40 HGAB COC(=O)c1cc(C(C)C)nc2c1c(-c1ccccc1)nn2[C@H]1CCS(=O)(=O)C1 16850651 OFNUFJCREGSFQK-HNNXBMFYSA-N 413.499 3.368 0 40 HGAB C[C@@H]1CCCCN1S(=O)(=O)c1ccc(NS(=O)(=O)Cc2ccccc2)cc1 17088073 TVICNTHBWZLYNK-MRXNPFEDSA-N 408.545 3.192 0 40 HGAB Cn1ccnc1-c1c(-c2ccc(Cl)cc2)cnn1CCNC(=O)[C@H]1CCCCO1 19291738 NRJXJQLLYBWRTD-GOSISDBHSA-N 413.909 3.289 0 40 HGAB CCn1ncc(S(=O)(=O)N2CCC[C@H](c3nc(C)n4c(C)csc34)C2)c1C 19524006 CUHIERRZNBTRDK-HNNXBMFYSA-N 407.565 3.106 0 40 HGAB CCN1CCN(C(=O)Cn2cccn2)C[C@H](Cc2ccc(-c3cccs3)cc2)C1=O 19527419 GWICSQGKSAGFEO-FQEVSTJZSA-N 422.554 3.161 0 40 HGAB COc1cc(CN2CCO[C@@H](c3nc(-c4ccccc4)no3)C2)cc(OC)c1OC 19549870 VTNFKHUMYKJXSG-LJQANCHMSA-N 411.458 3.336 0 40 HGAB Cc1cc(C)n(-c2ccc(OCC(=O)N[C@@H]3CC(C)(C)Oc4ccccc43)nn2)n1 19718877 KCSYIUJPBBBGJQ-QGZVFWFLSA-N 407.474 3.077 0 40 HGAB Cc1cc(C)n(-c2ccc(OCC(=O)N[C@H]3CC(C)(C)Oc4ccccc43)nn2)n1 19718878 KCSYIUJPBBBGJQ-KRWDZBQOSA-N 407.474 3.077 0 40 HGAB O=C(COC(=O)c1cccc(Br)c1)Nc1ccc(N2CCOCC2)cc1 20749158 ZQPLNZATCYVWKB-UHFFFAOYSA-N 419.275 3.081 0 40 HGAB O[C@@H](COc1ccc(-c2ccccc2)cc1)CN1CCN(Cc2ccccn2)CC1 22242578 HBEFQHWJTDPXAJ-XMMPIXPASA-N 403.526 3.306 0 40 HGAB O=C(CN1CCN(Cc2ccc3c(c2)CCO3)CC1)Nc1ccc(C(F)(F)F)cc1 22805321 CZGHYQQSFJXTTC-UHFFFAOYSA-N 419.447 3.397 0 40 HGAB O=C(Nc1ccccc1C(=O)NC1CC1)c1cn(-c2ccccc2C(F)(F)F)nn1 23176879 KPZBSCGFNRMQAA-UHFFFAOYSA-N 415.375 3.431 0 40 HGAB O=S(=O)(c1cccc(F)c1)N1CCN(Cc2csc(-c3ccccc3)n2)CC1 23990159 KZAUIBWCMKDVOI-UHFFFAOYSA-N 417.531 3.456 0 40 HGAB CC(=O)Nc1ccc2nc(NC(=O)[C@H]3CCCN(C(=O)c4ccco4)C3)sc2c1 24927370 LOBVXJUFYOFLHJ-ZDUSSCGKSA-N 412.471 3.339 0 40 HGAB O=C(N[C@@H](Cc1ccccc1)c1ccccc1)c1cccc(CN2C(=O)CNC2=O)c1 25623919 HWHUWURVMNWYIN-QFIPXVFZSA-N 413.477 3.452 0 40 HGAB NC(=O)c1ccc(Nc2nc(CN3CCOCC3)nc3sc4c(c23)CCCC4)cc1 25748626 LNYGVWZKKVKNTM-UHFFFAOYSA-N 423.542 3.245 0 40 HGAB CCOc1ccc(CCNC(=O)COC(=O)Cc2cccc(F)c2)cc1OCC 28626940 VCGAVNWANYLXMK-UHFFFAOYSA-N 403.450 3.068 0 40 HGAB C[C@@H](NC(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O)c1ccc(F)cc1 30867578 QBJQDHPSHQLEKX-LLVKDONJSA-N 402.850 3.262 0 40 HGAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc(Cn2ccnc2C)cc1 30943108 COTHNOHZNFEZEG-UHFFFAOYSA-N 409.442 3.296 0 40 HGAB COc1ccc(-c2nc(Cn3nnc(C(=O)Nc4ccccc4C)c3N)c(C)o2)cc1 33291650 SBWRINKUIRPRFP-UHFFFAOYSA-N 418.457 3.441 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(NC)c(NC(=O)c2cc(OC)cc(OC)c2)c1 40059964 AWPQVQUGTWTYFV-UHFFFAOYSA-N 421.519 3.028 0 40 HGAB COc1ccc(OC)c(-c2csc(NC(=O)Cc3nc4nc(C)cc(C)n4n3)n2)c1 40129420 DRRKXSUGSCAMLH-UHFFFAOYSA-N 424.486 3.063 0 40 HGAB CSc1nccn1-c1cccc(C(=O)N2CCN(CCOc3ccccc3)CC2)c1 40135737 RIEIGEDQLOACFO-UHFFFAOYSA-N 422.554 3.431 0 40 HGAB Cc1cccnc1NC(=O)C1CCN(C(=O)c2ccccc2OC[C@H]2CCCO2)CC1 40147004 XTVFXXZAIRJFOG-LJQANCHMSA-N 423.513 3.439 0 40 HGAB CC[C@@H](C(=O)N[C@H](C)c1ccc(OC)cc1)N(c1ccc(C)cc1)S(C)(=O)=O 44903184 BTCRWSOZQVGYML-UZLBHIALSA-N 404.532 3.426 0 40 HGAB Cc1csc(=O)n1CCC(=O)NCc1ccc(CN2C[C@@H](C)C[C@@H](C)C2)cc1 48310830 DUSBFTNATILSSL-CALCHBBNSA-N 401.576 3.403 0 40 HGAB CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)N[C@H](C)CN(C)c2ccccc2)cc1 48344381 MGSMFSJVSWPPIK-DLBZAZTESA-N 403.548 3.018 0 40 HGAB COc1cccc(CNC(=O)CCc2nnc3ccc(-c4ccc(C)cc4)nn23)c1 49399496 ODDJLSIRYVHBMW-UHFFFAOYSA-N 401.470 3.357 0 40 HGAB CC(=O)NCC1CCN(C(=O)Cn2c(C)c(Br)c3ccccc32)CC1 54004324 PDXDCGSRUICBEB-UHFFFAOYSA-N 406.324 3.087 0 40 HGAB CCOc1ccc([C@@H]2NC(=O)NC(CN(CC)Cc3ccccc3)=C2C(=O)OC)cc1 57415324 FXXYCVHHYBWJRP-QFIPXVFZSA-N 423.513 3.388 0 40 HGAB CCOc1ccc(S(=O)(=O)N2CCCN(C[C@@H]3CCCO3)CC2)c2ccccc12 58007307 MILOXKLTTKLXKI-SFHVURJKSA-N 418.559 3.114 0 40 HGAB Cc1cc2c(=O)[nH]c(CSCC(=O)Nc3nnc(C4CCC4)s3)nc2s1 61719217 BATGJLULGPYSFP-UHFFFAOYSA-N 407.546 3.284 0 40 HGAB COc1ccc(S(=O)(=O)NC[C@@H](O)c2ccc(C(F)(F)F)cc2)cc1Cl 70640155 IWLFYLPAQLNMOS-CQSZACIVSA-N 409.813 3.379 0 40 HGAB COc1ccc(C2(c3nnc(-c4ccc(S(C)(=O)=O)cc4)o3)CCOCC2)cc1 71889926 XCXUSRCJBFWESQ-UHFFFAOYSA-N 414.483 3.245 0 40 HGAB CCc1ccc([C@H](C)NC(=O)[C@@H](C)N2CCC(OCCN3CCCC3)CC2)cc1 72305621 FZVQBVBSEZYQMJ-VQTJNVASSA-N 401.595 3.392 0 40 HGAB O=C(CN1CCOCC1)N1CCC[C@H](c2cccc(Cc3ccccc3Cl)n2)C1 72349718 LYZYHQLCJHSIDG-IBGZPJMESA-N 413.949 3.364 0 40 HGAB O=C(NCc1ccc(C(=O)N2CCCCCC2)cc1)c1ccc(-n2ccnn2)cc1 89787885 DUXXGTHQBLTXIR-UHFFFAOYSA-N 403.486 3.214 0 40 HGAB O=C(NC[C@@H]1CCCCN1S(=O)(=O)Cc1cccc(F)c1)Nc1ccccc1 89845668 VMSYSFIMKGLFLL-IBGZPJMESA-N 405.495 3.332 0 40 HGAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N1CCNC(=O)[C@@H]1c1ccccc1Cl 96010165 NDMWEWMCQDRXKM-IRLDBZIGSA-N 423.900 3.304 0 40 HGAB COc1ccc2cc([C@@H]3CC(=O)Oc4ccc5c(C)cc(=O)oc5c43)c(=O)n(C)c2c1 96221223 SYLUXPKILPUUAH-INIZCTEOSA-N 417.417 3.403 0 40 HGAB biogenic CC(C)CN1CC2(CCN(C(=O)c3cccc(Cl)c3)CC2)[C@]2(CCN(C)C2=O)C1 96262564 JRRCWJFJTZFSIK-HSZRJFAPSA-N 417.981 3.383 0 40 HGAB COc1ccccc1-c1cc2ncc3c(n2n1)C[C@@H]1CC[C@@H]3N1C(=O)c1ccnn1C 100752847 NHHHCYGYBYBNDX-KSSFIOAISA-N 414.469 3.040 0 40 HGAB O=C(CN1C(=O)[C@H]2CCCC[C@H]2C1=O)Oc1ccc(C(=O)c2ccc(F)cc2)cc1 101231326 GLXKJGQEJXIEIM-KDURUIRLSA-N 409.413 3.137 0 40 HGAB CCOC(=S)SCC(=O)N1CCc2ccccc2[C@@H]1C1C(=O)CC(C)CC1=O 103557796 PQTQTCRWLAKWJT-KJXRMHRDSA-N 419.568 3.351 0 40 HGAB COc1ccc(OC)c(NC(=O)CCCN(c2ccccc2F)S(C)(=O)=O)c1 222651226 IWAXCGWXCFHGQN-UHFFFAOYSA-N 410.467 3.028 0 40 HGAB Cc1cc(S(=O)(=O)NC2CC2)ccc1OCC(=O)N[C@H](C)c1ccc(Cl)cc1 223058225 JOGBRRAWNLGOOA-CQSZACIVSA-N 422.934 3.345 0 40 HGAB COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)N[C@H](C)c1ccc(C)cc1C 223080712 KFHWMCUJFWYZBG-QGZVFWFLSA-N 418.559 3.372 0 40 HGAB Cc1ccc([C@@H](C)NS(=O)(=O)c2nnc(NC(=O)c3ccccc3)s2)cc1C 223234534 GTJRCJZITXZBSL-CQSZACIVSA-N 416.528 3.447 0 40 HGAB Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)N[C@@H](C)c2ccccc2)s1 223349574 FSVKPMLQFBESSG-ZDUSSCGKSA-N 402.501 3.138 0 40 HGAB Cc1cc(C)cc(OCCNC(=O)CN(c2ccccc2C(C)C)S(C)(=O)=O)c1 224088013 MFRXDWJQRJCRLM-UHFFFAOYSA-N 418.559 3.388 0 40 HGAB CC(C)Oc1ccc(CCCNS(=O)(=O)c2ccc3c(c2)sc(=O)n3C)cc1 225680604 WIOLBSZEMTWNKN-UHFFFAOYSA-N 420.556 3.298 0 40 HGAB O=S(=O)(c1c(F)cccc1F)N1CC[C@@H](Oc2cc(C(F)(F)F)ccn2)C1 225736790 GZQHYFFBVBPZOQ-LLVKDONJSA-N 408.348 3.221 0 40 HGAB O=S(=O)(NC[C@H](c1ccoc1)N1CCSCC1)c1ccc(C(F)(F)F)cc1 245171762 XUBPHAHATHUGEH-MRXNPFEDSA-N 420.478 3.367 0 40 HGAB COc1ccc(-c2cccc([C@H]3CN(CC(=O)N4CCC(C)CC4)CCO3)n2)cc1 257342940 ZQRQIOPSUDNHOO-HSZRJFAPSA-N 409.530 3.389 0 40 HGAB CCOC(=O)[C@@H]1C[C@H]2CN(C(=O)OCc3ccccc3)C[C@H]2N1Cc1ccccc1 306127450 FYXQMVNJFPESRD-FDFHNCONSA-N 408.498 3.461 0 40 HGAB Cc1cc(C(=O)N2CCN(c3cnn4ccc(-c5ccc(F)cc5)cc34)CC2)no1 306129799 INFFDYVHTVSRBW-UHFFFAOYSA-N 405.433 3.399 0 40 HGAB COc1cccc(CN2CCC[C@]3(CN(Cc4c[nH]nc4C)CC(F)(F)C3)C2=O)c1 306143499 YDTHIWHKWDPLIU-NRFANRHFSA-N 418.488 3.377 0 40 HGAB CC(=O)Nc1cccc(NC(=O)CCc2ccc(S(=O)(=O)NCC(C)C)cc2)c1 408584662 SRBPDMSNEMSKGM-UHFFFAOYSA-N 417.531 3.151 0 40 HGAB CC(C)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1cc(Cl)ccc1Cl 408596839 SNMWAFXDEJEXNP-INIZCTEOSA-N 415.342 3.408 0 40 HGAB CCNC(=O)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccc(OC(C)C)cc2)C1 408615244 NYMXUZBRTAUNGD-INIZCTEOSA-N 409.486 3.215 0 40 HGAB COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(OC)c(Br)c2)C1=O 409091322 SQKZMFABNYPXEW-LQGZHCLWSA-N 400.250 3.056 0 40 HGAB CCN(C[C@@H](O)C(F)(F)F)C(=O)C1CCN(c2noc3ccc(Cl)cc23)CC1 501558121 LDYMXKLFQGMPQD-OAHLLOKOSA-N 419.831 3.469 0 40 HGAB COc1cccc(C(C)(C)CNC(=O)C(=O)NCC(C)(C)c2cccc(OC)c2)c1 507508663 JZZZCOCIASTSOK-UHFFFAOYSA-N 412.530 3.192 0 40 HGAB COc1ccc(Cl)cc1NC(=O)Nc1cc2c(cc1C)N(C)S(=O)(=O)N2C 575613285 RDHZVJQQPMQMEL-UHFFFAOYSA-N 410.883 3.432 0 40 HGAB COC1=C(C)C(=O)O/C1=C1\O[C@@H]2CCCN3/C(=C4/C[C@H](C)C(=O)O4)CC[C@H]3[C@H]2[C@@H]1C 1560411825 ILSVLZCWCWOWCR-FEYPITGCSA-N 415.486 3.379 0 40 HGAB COc1cccc(OC)c1CN1CCO[C@@]2(CCCCN(c3ccccc3)C2=O)C1 2037984019 NKMSMNGVSCEEBL-DEOSSOPVSA-N 410.514 3.492 0 40 HGAB O=C(Cn1cnc2ccccc21)N1CC[C@H]2CN(c3cc(C(F)(F)F)ccn3)C[C@H]21 2087162958 HKTKSDWALXBEIN-KBXCAEBGSA-N 415.419 3.187 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccccc3Cl)C2)cc1 796740 WXTUNLICZCSDNJ-MRXNPFEDSA-N 422.934 3.066 0 40 HGAB COc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3c(C)cc(C)cc3C)CC2=O)cc1 800562 ITOSMFJJDZYEQK-KRWDZBQOSA-N 410.470 3.155 0 40 HGAB Cc1cccc(NC(=O)COC(=O)[C@@H](C(C)C)N2C(=O)c3ccccc3C2=O)c1C 1910816 PVZMKWXREIOGBX-HXUWFJFHSA-N 408.454 3.106 0 40 HGAB CC[C@@H](C(=O)OCC(=O)Nc1sc2c(c1C(N)=O)CCCC2)c1ccccc1 3309295 PDCBIKOCUWLKDR-CQSZACIVSA-N 400.500 3.401 0 40 HGAB CCOc1cc(C(=O)Nc2nnc(CC)s2)ccc1OCC(=O)N1CCCCC1 3432541 RPLAWSKSCISHAE-UHFFFAOYSA-N 418.519 3.143 0 40 HGAB O=C(Nc1nnc(SCC(=O)N2CCCc3ccccc32)s1)c1ccco1 4078170 JDTIXCPTXVCHBR-UHFFFAOYSA-N 400.485 3.455 0 40 HGAB CCCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2sccc2C(=O)NC)cc1 4281816 WXONBHQCXZUUKE-UHFFFAOYSA-N 423.560 3.171 0 40 HGAB O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 5574162 VMIWPIJKMXHOEE-GFCCVEGCSA-N 406.360 3.468 0 40 HGAB CCCNC(=O)NC(=O)CSc1nnc(-c2cc3c(s2)CC[C@H](CC)C3)n1C 5776374 BVRKRLWTJWXRKR-LBPRGKRZSA-N 421.592 3.386 0 40 HGAB CCn1c(SCC(=O)NC2CCCC2)nnc1[C@H](C)NC(=O)c1ccccc1C 6226053 ODINHRNPGMPUOX-HNNXBMFYSA-N 415.563 3.248 0 40 HGAB CC(C)OCCCNC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 6344590 MTIISLQXYIJOHY-UHFFFAOYSA-N 424.950 3.467 0 40 HGAB CCOC(=O)C1CCN(CC(=O)Nc2ccccc2C(=O)Nc2ccccc2)CC1 6640194 MUGDDGYUMOPUHI-UHFFFAOYSA-N 409.486 3.153 0 40 HGAB CCOc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCC3)C2=O)cc(Cl)c1O 6958699 MQJUQCIEYQJSOW-ZROIWOOFSA-N 410.879 3.103 0 40 HGAB Cc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C2)cc1 7940062 FBQUJQMNSPBZED-OAHLLOKOSA-N 400.862 3.492 0 40 HGAB CCCCN(CC)c1sc(S(C)(=O)=O)nc1S(=O)(=O)c1ccc(C)cc1 8133008 ISCJYAUCDPLNMV-UHFFFAOYSA-N 416.590 3.314 0 40 HGAB C[C@]1(CSc2ccccc2C(=O)N2CC[C@H]3CCCC[C@@H]3C2)NC(=O)NC1=O 8368566 CJMRDASYUVWUQU-VTJXTGGHSA-N 401.532 3.029 0 40 HGAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)C2C[C@@H]3CCC[C@H](C2)C3=O)c1C 8404604 XKHPUUVOFSJSBS-LSVZVQIISA-N 403.475 3.318 0 40 HGAB CCOC(=O)N1CCN(c2nc(Nc3ccc(C)c(C)c3)c3nccnc3n2)CC1 9074534 XQHLVXLAQGFUPS-UHFFFAOYSA-N 407.478 3.059 0 40 HGAB O=C(CSc1ccccc1C(=O)NCc1ccccn1)Nc1ccc2c(c1)OCO2 9492164 CONXKMWXGHBSEA-UHFFFAOYSA-N 421.478 3.471 0 40 HGAB CCc1ccc(-n2c(-c3ccc(F)cc3)cn3c4c(=O)[nH]c(=O)n(C)c4nc23)cc1 10104483 ZYUXCCUWZZRIEW-UHFFFAOYSA-N 403.417 3.034 0 40 HGAB O=C(CCCNC(=O)c1ccsc1)Nc1nc2cc3c(cc2s1)OCCO3 11751918 WUPSISWZCFQFPA-UHFFFAOYSA-N 403.485 3.278 0 40 HGAB CCCS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)c3cccc(F)c3)cc21 12180614 SHFRFSSFNZRUIF-UHFFFAOYSA-N 412.508 3.119 0 40 HGAB COc1ccc(C2(NCc3ccc(OCC(=O)N4CCOCC4)cc3)CCCC2)cc1 12293028 GCDZEQQOCDTFED-UHFFFAOYSA-N 424.541 3.492 0 40 HGAB CC(C)(C)n1ncc2c(=O)n(CCC(=O)Nc3ccc(OC(F)(F)F)cc3)cnc21 12440132 XRGWXXBZVULXEX-UHFFFAOYSA-N 423.395 3.275 0 40 HGAB COc1ccc([C@@H](NC(=O)CCc2nc(-c3ccsc3)no2)c2nccn2C)cc1 12548132 VRYXVXVQYYGGHF-LJQANCHMSA-N 423.498 3.379 0 40 HGAB O=C(c1cc(Cl)ccc1Cl)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 12617455 JIGVTBFIDWUING-UHFFFAOYSA-N 423.325 3.021 0 40 HGAB Cc1cc(C)c(NC(=O)CNC(=O)CCS(=O)(=O)c2ccccc2Cl)c(C)c1 12797757 IXLQIGDZVVUIDW-UHFFFAOYSA-N 422.934 3.184 0 40 HGAB CC(=O)NC12C[C@H]3C[C@@H](C1)CC(C(=O)O[C@@H](C)C(=O)Nc1ccc(F)cc1)(C3)C2 12863372 XWWQJLJJTKUDNA-JNPCQWKZSA-N 402.466 3.171 0 40 HGAB COc1cc(N2C[C@H](C(=O)Nc3cccc(Cl)c3)CC2=O)cc(OC)c1OC 12981156 AYKSSHICJAVMMJ-GFCCVEGCSA-N 404.850 3.357 0 40 HGAB COc1ccc(CCC(=O)N2CCN(c3nccs3)CC2)cc1Br 12986214 ZKBBTXDJYJPBSU-UHFFFAOYSA-N 410.337 3.196 0 40 HGAB Cc1ccc(CCCNC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2C)cc1 13675216 RRIZTAJJYSUMPL-UHFFFAOYSA-N 400.544 3.451 0 40 HGAB Cc1ccc(S(=O)(=O)Nc2ccc(-c3ccc(N4CCOCC4)nn3)cc2)cc1C 15882159 VDLFAHIHWZNXJH-UHFFFAOYSA-N 424.526 3.398 0 40 HGAB O=C1CN(C(=O)CCCN2C(=O)c3cccc4cccc(c34)C2=O)c2ccccc2N1 16524925 QJQUIIDWZMJGTF-UHFFFAOYSA-N 413.433 3.201 0 40 HGAB Cc1ccc(CNC(=O)Cn2cccc(-c3nc(-c4ccc(C)cc4)no3)c2=O)cc1 16843483 GZQYKCOFJLUOPB-UHFFFAOYSA-N 414.465 3.499 0 40 HGAB Cc1cccc(NC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)cc2)c1C 17835539 NPAJUGMPIFCQGE-IYBDPMFKSA-N 402.516 3.354 0 40 HGAB Cc1c(C(=O)OCc2nnc(-c3ccc(Cl)cc3)o2)sc2ncn(C)c(=O)c12 18666551 HGJNOEKMJWRDOB-UHFFFAOYSA-N 416.846 3.364 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2cc(Cl)c3c(c2)OCCO3)cc1 19172183 HVXSUENWHCXMPU-UHFFFAOYSA-N 424.906 3.394 0 40 HGAB O=C(c1cccc(F)c1)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CN(C2CCCCC2)CC3)C1 19293508 KDUVALPNFJAUQW-QGZVFWFLSA-N 424.520 3.230 0 40 HGAB CN(C)C(=O)[C@]1(Cc2cc(-c3ccccc3)no2)CCCN(C(=O)c2cccnc2)C1 19579342 FZQSZRZTANOXFP-DEOSSOPVSA-N 418.497 3.290 0 40 HGAB Cc1nc2ccccn2c1CC(=O)Nc1cccc([C@H]2CCc3nnc(C)n3C2)c1 19698186 QQERENKWFYTIPH-SFHVURJKSA-N 400.486 3.454 0 40 HGAB Cc1nc([C@@H]2CCCCN2Cc2cnn(C)c2)ncc1C(=O)NCc1ccc(F)cc1 19764406 MWPGIGLRINFPGV-NRFANRHFSA-N 422.508 3.315 0 40 HGAB O=C1C(Cl)=C(N2CCN(Cc3ccccc3)CC2)C(=O)N1c1ccc(Cl)cc1 19911833 CYNSHTHLYJCUPY-UHFFFAOYSA-N 416.308 3.481 0 40 HGAB Cc1ccc([C@@H]2CC(=O)c3cnc(N4CCN(C(=O)c5ccco5)CC4)nc3C2)cc1 19973870 VAHJFEPEQVNXNS-SFHVURJKSA-N 416.481 3.253 0 40 HGAB CCS(=O)(=O)N1c2ccc(C(=O)Nc3cc(OC)ccc3OC)cc2C[C@H]1C 20449124 HDVJUEPJGLIYMC-CYBMUJFWSA-N 404.488 3.057 0 40 HGAB O=C(C[C@@H]1C(=O)Nc2nc(-c3ccccc3)nn21)Nc1ccccc1C(F)(F)F 20735937 HRZTWFZJDUQRCW-CQSZACIVSA-N 401.348 3.486 0 40 HGAB CSCC[C@H](NS(=O)(=O)c1cc(C)ccc1C)C(=O)NCc1ccccc1F 21872724 VWZDQXBJDSCKPL-SFHVURJKSA-N 424.563 3.159 0 40 HGAB CCOC(=O)C1=C(COc2cc(C(F)(F)F)cc(C(F)(F)F)c2)NC(=O)NC1 22093880 YPIOUWNFBBDRCP-UHFFFAOYSA-N 412.286 3.233 0 40 HGAB CC[C@@H](C(=O)NC1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1)c1ccccc1 22702194 OBDAHJHIDRLFBZ-OAQYLSRUSA-N 416.543 3.158 0 40 HGAB COc1ccc(OCCN2CCN(C(=O)CCc3c[nH]c4ccccc34)CC2)cc1 24601804 DLGMSNNJGMMQAJ-UHFFFAOYSA-N 407.514 3.332 0 40 HGAB Cc1cccc(-c2nnc(S)n2CC(=O)NC[C@@H](c2cccs2)N(C)C)c1 24829328 IZQCKDOZJNKCRW-HNNXBMFYSA-N 401.561 3.023 0 40 HGAB CCOC(=O)c1cnn(-c2cccc(NC(=O)c3cnc4onc(C)c4c3)c2)c1C 25991337 JECFGXSEBJOINO-UHFFFAOYSA-N 405.414 3.454 0 40 HGAB C[C@H](NC(=O)N[C@H](CN1CCOCC1)c1ccccc1)c1ccc(-n2ccnc2)cc1 32802247 RVJJUHRMYACAOM-WMZHIEFXSA-N 419.529 3.306 0 40 HGAB Cc1cccc(NC(=O)[C@H](C)N(C)CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)c1 32860138 VPBOISLQEAWGJQ-IRXDYDNUSA-N 408.502 3.018 0 40 HGAB O=C(NCc1ccc(N2CCCC2=O)cc1)NCc1ccccc1CN1CCCC1 32863221 SBTZXNCTWKHCLK-UHFFFAOYSA-N 406.530 3.409 0 40 HGAB COc1cccc(-c2noc([C@H]3CCCN(S(=O)(=O)c4cccs4)C3)n2)c1 33058217 PWIWAKNRRXACEJ-AWEZNQCLSA-N 405.501 3.375 0 40 HGAB COc1ccc(C(=O)C2CCN(Cc3nnnn3CCc3ccccc3)CC2)cc1 35314511 DSDOLSISCFCUEU-UHFFFAOYSA-N 405.502 3.019 0 40 HGAB Cn1nc(NC(=O)Cc2noc3ccccc23)c2c1NC(=O)C[C@@H]2c1cccs1 36705626 SNMFVGMYIKWAPB-GFCCVEGCSA-N 407.455 3.278 0 40 HGAB Cc1nc(N2CCCCC2)ncc1-c1cc(=O)[nH]c(Nc2nc3ccccc3o2)n1 39403996 WPAGQERSNQNZQJ-UHFFFAOYSA-N 403.446 3.410 0 40 HGAB Cc1nc(C(=O)Nc2nc(-c3ccc4ccccc4c3)cs2)nn1-c1nnc[nH]1 40052388 MQDKETRKBSURQN-UHFFFAOYSA-N 402.443 3.223 0 40 HGAB O=C(NC[C@@H](c1ccco1)N1CCCC1)[C@H]1CCCN(C(=O)Cc2ccccc2)C1 40073659 VZYAGPDZRUHWAF-SFTDATJTSA-N 409.530 3.014 0 40 HGAB COc1cc([C@@H](C)NC(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)ccc1OCC(C)C 40087559 NGZPIZPCNJLJRB-NJAFHUGGSA-N 416.518 3.082 0 40 HGAB CCn1c(=O)c(C)nc2cc(C(=O)NCc3ccc(N4CCCCCC4)nc3)ccc21 40122074 WBJQOVMWQRMPLO-UHFFFAOYSA-N 419.529 3.430 0 40 HGAB COCc1nn2c(ncc3c(=O)n([C@H](C(=O)O)C(C)C)ccc32)c1-c1ccccc1 40396454 WZPGEEGNJRNXIR-IBGZPJMESA-N 406.442 3.139 0 40 HGAB O=C(CNC(=O)N1CCN(c2cccc(Cl)c2)CC1)Nc1ccc2cc[nH]c2c1 44920873 JGRLTXYADHXXRS-UHFFFAOYSA-N 411.893 3.292 0 40 HGAB COc1ccc(-c2cc(C(=O)N3CCC(NC(=O)c4ccc(F)cc4)CC3)[nH]n2)cc1 49406757 NXJGQZNNXYGXOA-UHFFFAOYSA-N 422.460 3.259 0 40 HGAB COc1cc2c(cc1OC)CN(C(=O)Nc1cc(C)ccc1S(C)(=O)=O)CC2 56775199 GJZGSNAQIWDPQV-UHFFFAOYSA-N 404.488 3.006 0 40 HGAB NC(=O)[C@H]1CCCN(Cc2ccc(NC(=O)c3csc(Br)c3)cc2)C1 58306542 NRAIGUCVOCLSJB-ZDUSSCGKSA-N 422.348 3.460 0 40 HGAB Cc1cc(C)c(NC(=O)Cn2c(-c3ccc(F)cc3)nc(C)c(CCO)c2=O)c(C)c1 67300924 LDWUNXVYVRCGRS-UHFFFAOYSA-N 423.488 3.457 0 40 HGAB Cc1nn([C@H]2CCS(=O)(=O)C2)c2c1[C@H](c1ccc(OC(C)C)cc1)CC(O)=N2 71282802 CSXLVEPSRQOPCF-RDJZCZTQSA-N 403.504 3.462 0 40 HGAB CNC(=O)COc1ccc(/C=C2/N=C(C34CC5CC(CC(C5)C3)C4)OC2=O)cc1OC 96130181 HRCSLHHBZBOVLE-QGMBQPNBSA-N 424.497 3.333 0 40 HGAB CC(C)[C@@H](C)NC(=O)c1cnc(-c2noc3cc(N4CCN(C)CC4)ccc23)s1 96154604 HLSQYZIUACHHMN-CQSZACIVSA-N 413.547 3.477 0 40 HGAB CN1CCN(c2ccc(NC(=O)[C@H]3CCCN(Cc4ccc(F)cc4)C3)cc2)CC1 96627718 AOXCHFOIRZBGRD-FQEVSTJZSA-N 410.537 3.428 0 40 HGAB COc1ccc(C(=O)NC2CCN(c3cc(-c4ccccc4)n[nH]3)CC2)cc1OC 98212582 RLABGVUWVMMQFW-UHFFFAOYSA-N 406.486 3.493 0 40 HGAB C[C@@H](NC(=O)Cc1ccc2c(c1)OCO2)c1cc(O)n2nc(-c3cccs3)cc2n1 100769321 RRPNYBIZERHJIH-GFCCVEGCSA-N 422.466 3.312 0 40 HGAB COc1ccc(C2=NO[C@@H]3C(=O)N(c4cc(Cl)cc(Cl)c4)C(=O)[C@H]23)cc1OC 100876526 DSDVVXDJTSBVEX-WBVHZDCISA-N 421.236 3.303 0 40 HGAB COC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H](ON(c4ccccc4)[C@H]3c3ccco3)C2=O)cc1 102914552 AIRJRZRRFRLGKT-SLFFLAALSA-N 418.405 3.117 0 40 HGAB C[C@@H](NC(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@H]1C[C@H]2CC[C@H]1C2 104811662 DLKWLPDCMYKTLD-BOFXEDATSA-N 404.576 3.345 0 40 HGAB CN1CC[C@@]2(C(=O)Nc3cccnc3)CCN(C(=O)c3ccc(Cl)cc3)CC[C@@H]12 107183205 QZOIQRPHHILWHL-DENIHFKCSA-N 412.921 3.300 0 40 HGAB COc1ccc([C@H](C)NC(=O)CCCN(c2ccc(OC)cc2)S(C)(=O)=O)cc1 113960932 VBLGBSUKRGUKFS-INIZCTEOSA-N 420.531 3.127 0 40 HGAB COc1cccc(N(CCCC(=O)N[C@H]2CCCc3ccccc32)S(C)(=O)=O)c1 113967138 BRUZBFKSTZENIH-NRFANRHFSA-N 416.543 3.435 0 40 HGAB O=C1CC[C@@H](/C=C/[C@@H](O)C(F)(F)c2ccccc2)N1CCCCCCc1nn[nH]n1 117395602 WPTLQOYLIXWRNN-BMQSUSBESA-N 419.476 3.003 0 40 HGAB CC[C@@H](C(=O)NCCN(C)c1ccccc1)N(c1cccc(Cl)c1)S(C)(=O)=O 219093727 XRPWPTVJJXIXOE-IBGZPJMESA-N 423.966 3.137 0 40 HGAB COC(=O)c1ccc(Cl)c(NC(=O)[C@H](C)N(c2cccc(C)c2)S(C)(=O)=O)c1 220135329 JFTCXTPGLHWUIV-ZDUSSCGKSA-N 424.906 3.228 0 40 HGAB COc1ccc(CCNC(=O)c2cccc(S(=O)(=O)Nc3ccccc3)c2)cc1 223917957 OKKMHFWDDVRXOE-UHFFFAOYSA-N 410.495 3.469 0 40 HGAB CSc1ccc(S(=O)(=O)Nc2ccc(C(=O)NC[C@H]3CCCO3)cc2)cc1 223994422 KEEJYHZLRURQDX-MRXNPFEDSA-N 406.529 3.118 0 40 HGAB COc1ccc(C(=O)N2CCC(C(N)=O)CC2)cc1COc1cccc(Cl)c1 224149647 SQCHIEZJPXFBCP-UHFFFAOYSA-N 402.878 3.265 0 40 HGAB COCCNC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)cc1Cl 224244921 QWFBPDQCCWZSBI-UHFFFAOYSA-N 417.314 3.195 0 40 HGAB Cc1cccc(N(CN2C(=O)[C@@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@H]3C2=O)C(=O)C(F)(F)F)c1C 226401233 PNWHRTXUMWLGCL-DFYGGBHCSA-N 418.415 3.209 0 40 HGAB C/C=C(/C)C(=O)O[C@H](c1cc(OC)c2c(c1)OCO2)[C@H](C)OC(=O)[C@]1(C)O[C@H]1C 252513918 AVJNVKMXZXWBFC-UOOBJQQTSA-N 406.431 3.084 0 40 HGAB biogenic,in-vitro COCc1nc2ccccc2n1CC(=O)N1CCC[C@H]1c1cccc(-n2ccnc2)n1 257238541 HLMMOTUFUAQWSG-IBGZPJMESA-N 416.485 3.127 0 40 HGAB CCOc1ccc(OC)cc1-c1ccc(C(=O)N(CCO)CCO)c(CC(C)C)c1 257286840 PNHJUHSPNWDJCI-UHFFFAOYSA-N 415.530 3.386 0 40 HGAB COc1ccccc1[C@@H](C)NC(=O)[C@H](C)N(c1ccc(Cl)cc1)S(C)(=O)=O 260741132 GMYWASCOCSQCFD-KGLIPLIRSA-N 410.923 3.381 0 40 HGAB O=S1(=O)c2ccc(-c3cccnc3)cc2[C@H]2CN(Cc3ccc4c(c3)OCO4)C[C@H]21 306136225 PNNBQELDCGKANH-AUSIDOKSSA-N 420.490 3.233 0 40 HGAB COC[C@@H](C)NC(=O)CN(C1CCCCC1)S(=O)(=O)c1c(C)cc(C)cc1C 408626510 ZEWXDBCLXVGINH-GOSISDBHSA-N 410.580 3.086 0 40 HGAB Cc1ccccc1NC(=O)COC(=O)CCCCCN1C(=O)c2ccccc2C1=O 408653246 DSDFNERIWZNTBK-UHFFFAOYSA-N 408.454 3.333 0 40 HGAB COC(=O)c1ccc(C)c(NC(=O)CN(c2ccc(Cl)cc2C)S(C)(=O)=O)c1 408923194 APKBPQGFGSUGBV-UHFFFAOYSA-N 424.906 3.148 0 40 HGAB O=C(N[C@@H]1C(=O)N/[N+](=C\c2ccc(Cl)cc2)[C@H]1c1ccccc1)c1ccc(F)cc1 409061021 BMOJUHRJCJKIAF-ZCEBDVNOSA-O 422.867 3.495 0 40 HGAB O=C1c2ccccc2CN1CC(=O)N1CCCC2=C[C@@H]3C[C@@H](CN4CCCC[C@@H]34)[C@H]21 409415253 YANKGUFDQNGLKJ-RDCABSMISA-N 405.542 3.064 0 40 HGAB COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N2C[C@@H](OC)C[C@H]2C(=O)O)cc1 540786813 UJCKYIZVXWITNU-UWJYYQICSA-N 422.481 3.477 0 40 HGAB COc1ccc([C@@H]2C3=C(CN(C(C)=O)C3=O)Nc3cccc4c3c2cn4C)c(OC)c1 604406296 FMCFELMZLDADAO-NRFANRHFSA-N 417.465 3.396 0 40 HGAB biogenic O=C(COc1ccccc1)N1CCC[C@@]2(CC1)CN(c1ccc(F)cc1)C(=O)CO2 618016818 JMRWMGLSBQGDQF-HSZRJFAPSA-N 412.461 3.019 0 40 HGAB CN(C)c1nc(CNC(=O)Nc2ccnc(OCC(F)(F)C(F)F)c2)cs1 678900079 XTRNTOHZXMXFEO-UHFFFAOYSA-N 407.393 3.205 0 40 HGAB Cc1nc(N2C[C@@H]3C[C@H](C)N(c4nccc(C(F)(F)F)n4)[C@H]3C2)c2ccncc2n1 1888888507 NEUWETIINZDRAH-RBOXIYTFSA-N 415.423 3.246 0 40 HGAB Cc1nc(N2CCC(Oc3ncc(-c4cnn(C)c4)cn3)CC2)cc(C(F)(F)F)n1 1889152041 ABWVQUBUFKVWNP-UHFFFAOYSA-N 419.411 3.042 0 40 HGAB COc1ccc(-c2nn(CN3CCC(C(N)=O)CC3)c(=S)n2-c2ccccc2)cc1 1059360 VQVKGHRSFNDXAT-UHFFFAOYSA-N 423.542 3.234 0 40 HGAB COc1ccc(Cc2nc3c4cnn(-c5cccc(C)c5)c4ncn3n2)cc1OC 2207779 HIMWFIUMCGEPMT-UHFFFAOYSA-N 400.442 3.380 0 40 HGAB CCOc1ccc(-c2nnc(SCC(=O)Nc3ccc(F)c(F)c3)n2N)cc1 2359279 NSJHQFMLGILFFB-UHFFFAOYSA-N 405.430 3.067 0 40 HGAB COCCCn1c(N)c(S(=O)(=O)c2ccc(C)cc2)c2nc3ccccc3nc21 2387833 PAPPNYOEKWRXJP-UHFFFAOYSA-N 410.499 3.344 0 40 HGAB O=S(=O)(N1CCN(c2ccccc2)CC1)C(F)(F)c1nc2ccccc2s1 3178405 LJFQWOATPGZVHX-UHFFFAOYSA-N 409.483 3.498 0 40 HGAB C[C@@H](OC(=O)c1nn(C)c(=O)c2ccccc12)C(=O)Nc1cccc(C(F)(F)F)c1 3352698 BXIKKFYSTXZFSS-LLVKDONJSA-N 419.359 3.136 0 40 HGAB CCOC(=O)c1c(NC(=O)[C@H](C)Sc2nnc(N)s2)sc2c1CCCC2 3575722 JVBZYEATIUHGJW-QMMMGPOBSA-N 412.562 3.357 0 40 HGAB Cc1cc2cc(CCNC(=O)C(=O)c3c(C)[nH]c4ccccc34)c(=O)[nH]c2cc1C 4033749 IHSNIDQLKPNTBC-UHFFFAOYSA-N 401.466 3.476 0 40 HGAB COc1ccc(-n2nnc3c(SCC(=O)Nc4ccc(C)cc4)ncnc32)cc1 4166744 FNLIYPZSTKHKKD-UHFFFAOYSA-N 406.471 3.258 0 40 HGAB CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccccc3)C(=O)N2C(C)C)cc1 4738724 JYUKMZJZZCREOI-IBGZPJMESA-N 423.469 3.438 0 40 HGAB N=C(N)NCCC[C@@H](NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O 4794480 XOPFDFWTKCSBGX-JOCHJYFZSA-N 416.525 3.285 0 40 HGAB CCC(=O)Nc1ccc(C(=O)COC(=O)c2cc(OC)c(OC)cc2OC)cc1 4870415 LEHGBBBHWFUEJS-UHFFFAOYSA-N 401.415 3.101 0 40 HGAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2cc(Cl)c(N)cc2OC)c1C 4916834 UJISLWHEDKHFSD-LLVKDONJSA-N 422.865 3.481 0 40 HGAB CCn1c(SCc2cccnc2)nnc1[C@H]1CCCN(C(=O)N2CCCC2)C1 4932434 VNAXPDHRPREBQW-KRWDZBQOSA-N 400.552 3.381 0 40 HGAB COC(=O)c1cc(Cl)ccc1Nc1nc2ccccc2nc1NS(C)(=O)=O 5030176 URIAGTMOVLYQDV-UHFFFAOYSA-N 406.851 3.185 0 40 HGAB O=C(CCN1C(=O)S/C(=C\c2ccccc2)C1=O)Nc1ccc(O)cc1C(=O)O 5347956 YPVYJHQJKBZMHQ-YBEGLDIGSA-N 412.423 3.156 0 40 HGAB CNS(=O)(=O)c1cc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)ccc1C 6544899 AZJUOCJRPYNIFB-UHFFFAOYSA-N 409.316 3.011 0 40 HGAB Cc1cccc(C)c1OCC(=O)N(Cc1ccccc1F)[C@H]1CCS(=O)(=O)C1 6811055 CLUVCHDKZUQTBG-SFHVURJKSA-N 405.491 3.037 0 40 HGAB COc1cc(CCC(=O)Nc2ccccc2N2CCN(C)CC2)cc(OC)c1OC 7105776 YOWMCUCTNJEAIU-UHFFFAOYSA-N 413.518 3.036 0 40 HGAB Cc1cs/c(=N\c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)n1C1CC1 7239006 PPKPMNMRAZMWTM-ZPHPHTNESA-N 413.952 3.100 0 40 HGAB COc1ccccc1CNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl 7305977 SARGUYMKSUEHLA-UHFFFAOYSA-N 408.907 3.063 0 40 HGAB CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3CC)C2=O)ccc1OC 8088180 DBSFJAYCVRAPTA-LDADJPATSA-N 423.469 3.188 0 40 HGAB COc1ccc(NC(=O)CN(C)CC(=O)Nc2ccc(C)c(Br)c2)cc1 8093062 LGSYCJDFBKFJIR-UHFFFAOYSA-N 420.307 3.275 0 40 HGAB NC(=O)NC(=O)[C@@H](Sc1nnc(-c2ccccc2F)n1C1CC1)c1ccccc1 8156772 NNJPIHBKVMPKME-INIZCTEOSA-N 411.462 3.447 0 40 HGAB O=C(Nc1ccc(N2CCCC2=O)cc1)[C@H]1CC(=O)N(Cc2ccccc2Cl)C1 8315945 WVVLJPQFYJSXAK-INIZCTEOSA-N 411.889 3.454 0 40 HGAB COc1cc(CNC2C3CC4CC(C3)CC2C4)cc(Br)c1OCC(N)=O 8469986 WSQODKHTOUNLOG-UHFFFAOYSA-N 423.351 3.236 0 40 HGAB COc1ccc(NC(=O)C(=O)NC[C@@H](c2ccsc2)N2CCCCCC2)cc1 8892894 QJSRPIMQHRMRPF-IBGZPJMESA-N 401.532 3.429 0 40 HGAB COc1ccccc1NC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCCC2)c1 9063772 PUURNKQIVDKXHL-UHFFFAOYSA-N 404.488 3.131 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCCN(C(=O)c3cccc4cccnc34)CC2)cc1 9337308 QLKYWLVFGFUNGE-UHFFFAOYSA-N 409.511 3.080 0 40 HGAB CCS(=O)(=O)N(Cc1ccccc1Cl)c1c(C)n(C)n(-c2ccccc2)c1=O 9426069 ATGBMZJBGGYSLH-UHFFFAOYSA-N 419.934 3.494 0 40 HGAB CCOC(=O)C1=C(C)Nc2ccccc2N=C1NC(=O)c1[nH]c(C)c(C(=O)OC)c1C 9508522 QPDMULSBXFTOLC-UHFFFAOYSA-N 424.457 3.141 0 40 HGAB Cc1[nH]c2ccc(C(=O)OCC(=O)N3CCN(c4ccc(F)cc4)CC3)cc2c1C 9552114 YHIYUQKQQDEJIZ-UHFFFAOYSA-N 409.461 3.429 0 40 HGAB O=C([C@@H]1COc2ccccc2O1)N1CCN(c2nc3c(F)cc(F)cc3s2)CC1 10166327 BJQJXVKQSPOLBI-INIZCTEOSA-N 417.437 3.063 0 40 HGAB O=C(NCCc1ccc(-n2cccn2)cc1)c1ccc(I)cc1 10222048 MKVGDZVRNJNXOH-UHFFFAOYSA-N 417.250 3.449 0 40 HGAB CCc1c(C)sc2nc(SCCC(N)=O)n(-c3ccc(OC)cc3)c(=O)c12 10406542 ANNUTXDNACVKJH-UHFFFAOYSA-N 403.529 3.294 0 40 HGAB CCCN1CCCc2cc(CCNC(=O)C(=O)NCc3ccccc3Cl)ccc21 11613034 WQQCYKXICGTVOC-UHFFFAOYSA-N 413.949 3.478 0 40 HGAB COc1ccc(NC(C)=O)cc1NC(=O)CCC(=O)c1ccc2c(c1)OCCCO2 11659449 WMVUKEJCTNVOIT-UHFFFAOYSA-N 412.442 3.417 0 40 HGAB CCCn1cc(C(=O)N2CCC[C@@H](c3nnsc3-c3cc(C)no3)C2)c(C)n1 12242271 QDQIGIMGIQNXPR-CQSZACIVSA-N 400.508 3.436 0 40 HGAB CCSc1ncc(CN2CCc3nc4cc(-c5ccoc5C)nn4c(O)c3C2)cn1 12276132 NNVZQVXXGLQPRE-UHFFFAOYSA-N 422.514 3.464 0 40 HGAB CCOC(=O)[C@@](NC(=O)c1cccc(F)c1)(Nc1ccccc1OC)C(F)(F)F 12412313 QFGNEVKPJIAUCM-SFHVURJKSA-N 414.355 3.498 0 40 HGAB CCOc1ccccc1CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 12412473 SCXDCOSOSOUDQI-SFHVURJKSA-N 422.934 3.208 0 40 HGAB Cc1ccc(-c2nn(CN(CC(C)C)[C@@H]3CCS(=O)(=O)C3)c(=S)n2C)cc1 12924311 RHQPPSJOMIOJSY-QGZVFWFLSA-N 408.593 3.029 0 40 HGAB COC(=O)c1sc(N)c(C(=O)OC)c1COc1ccc(F)c2c1C(=O)C[C@@H]2C 12981360 YINRFGKWZRMNFV-QMMMGPOBSA-N 407.419 3.312 0 40 HGAB CSc1ccc(C)c(C(=O)N2CCC(NS(=O)(=O)c3ccccc3)CC2)c1 12986994 ULKIPJAGUGZUKT-UHFFFAOYSA-N 404.557 3.300 0 40 HGAB O=C(Nn1cnc2c(cnn2-c2ccc(F)cc2)c1=O)c1cc(Cl)ccc1Cl 13036723 RQZFOMFPODTPPL-UHFFFAOYSA-N 418.215 3.412 0 40 HGAB CCOC(=O)c1c(C)[nH]c(C(=O)CN2CCN(c3ccccc3Cl)CC2)c1C 13056247 CRZZBYBDXWCLEG-UHFFFAOYSA-N 403.910 3.467 0 40 HGAB C[C@H](C(=O)NCCSCc1ccco1)N(c1ccc(Cl)cc1)S(C)(=O)=O 14155410 GGWAXWLMVOLSIA-CYBMUJFWSA-N 416.952 3.137 0 40 HGAB CCc1ccc(-c2noc(CCC(=O)Nc3ccc(N4CCOCC4)nc3)n2)cc1 14853288 RDMOOEAQZYBBAQ-UHFFFAOYSA-N 407.474 3.102 0 40 HGAB CC(=O)N1CCCc2cc(S(=O)(=O)NCCOc3ccc4ccccc4c3)ccc21 15362125 RDQDIKGOXAOZOE-UHFFFAOYSA-N 424.522 3.496 0 40 HGAB O=C(CN1CCN(c2nccs2)CC1)N1c2ccccc2S[C@@H]2C=CC=C[C@@H]21 19375608 KDZMIGQIEUDVIF-FUHWJXTLSA-N 410.568 3.267 0 40 HGAB CCN(CC)S(=O)(=O)N1CC[C@H](c2cc(COc3ccc(C(C)C)cc3)[nH]n2)C1 19704522 DAJBKTSAAFUPDQ-SFHVURJKSA-N 420.579 3.488 0 40 HGAB CC(=O)N[C@H]1C[C@@H](c2cccc(NC(=O)c3snnc3C)c2)O[C@@H](C(C)C)C1 19712222 GRKNZOJRNUYGLB-KURKYZTESA-N 402.520 3.480 0 40 HGAB COCCC(=O)N1CCC[C@H](c2ccc3c(NCc4ccccc4OC)n[nH]c3n2)C1 19742768 XAOPLVXUZRKJNG-KRWDZBQOSA-N 423.517 3.321 0 40 HGAB COc1ccc(CC(=O)N2CCC[C@@H]2c2ncc(C(=O)N3CCCCC3)c(C)n2)cc1 19756127 SRJMIRKUOZRNAV-OAQYLSRUSA-N 422.529 3.326 0 40 HGAB CC(C)CC(=O)N1CCC(Cc2nn(C)cc2C(=O)NCc2ccc(F)cc2)CC1 19758521 YXGFABVSCUQGTM-UHFFFAOYSA-N 414.525 3.316 0 40 HGAB COc1cc([C@H]2CC(=O)c3cn4nc(C(F)(F)F)nc4nc3C2)cc(OC)c1OC 19816607 PNJXZYCMGHSQJK-SECBINFHSA-N 422.363 3.082 0 40 HGAB CCSc1ccccc1NC(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O 20106415 WDQBZSWJFSHMSD-UHFFFAOYSA-N 400.472 3.482 0 40 HGAB CCN1CCC[C@H]1CN/C=C1/C(=O)N(c2ccc(OC)cc2)C(=O)c2ccccc21 20503989 PBEUJHKXZRRKLN-RMDTYCCRSA-N 405.498 3.297 0 40 HGAB CC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)Nc3nc(-c4ccc(Cl)cc4)nn32)cc1 20722284 FUGYPMRTXVCGAO-MRXNPFEDSA-N 409.833 3.323 0 40 HGAB CCc1noc(-c2ccccc2NC(=O)[C@H]2CC(=O)N(c3ccc(OC)cc3)C2)n1 21792208 RMQXYVDDAFEZMK-AWEZNQCLSA-N 406.442 3.299 0 40 HGAB CCCc1cc(=O)oc2cc(OCC(=O)Nc3ccc(C(=O)N(C)C)cc3)ccc12 22316836 PSGFZFNVZMUQBD-UHFFFAOYSA-N 408.454 3.465 0 40 HGAB COc1cccc(C2=N/C(=C/c3cc4ccccc4nc3N3CCOCC3)C(=O)O2)c1 22751702 WVTWBTIMFFWAEB-RCCKNPSSSA-N 415.449 3.425 0 40 HGAB Cc1ccc(C(=O)C2CCN(C(=O)c3ccc4c(c3)C(=O)N(C)C4=O)CC2)c(C)c1 24456146 IDAXSWVRRNVVEI-UHFFFAOYSA-N 404.466 3.264 0 40 HGAB O=C(NCc1ccc(Cl)cc1)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1 24609728 YSMLGRUVCJAETQ-UHFFFAOYSA-N 424.925 3.337 0 40 HGAB Nn1cc(-c2ccccc2)nc1SCC(=O)Nc1cc2c(cc1Cl)OCO2 24775990 UJEPBJNCPMPQAO-UHFFFAOYSA-N 402.863 3.377 0 40 HGAB Cc1noc(C)c1CSc1ncccc1C(=O)N1CCN(c2nccs2)CC1 24926351 FQEHXLWEELNNGZ-UHFFFAOYSA-N 415.544 3.398 0 40 HGAB CCOc1ccccc1N1CCN(C(=O)NCc2ccc(NC(=O)CC)cc2)CC1 26315097 DWPIWNAYZDVCIC-UHFFFAOYSA-N 410.518 3.466 0 40 HGAB CCCc1cc(=O)oc2c(C)c(O[C@@H](C)C(=O)N[C@@H](C(=O)O)[C@@H](C)CC)ccc12 26771882 FYRDRWHCLLNEML-PTAUBWNISA-N 403.475 3.437 0 40 HGAB C[C@@]1(CCc2ccccc2)NC(=O)N(CC(=O)Nc2cccc3cccnc23)C1=O 32722408 APVUBBODQBDTLS-QHCPKHFHSA-N 402.454 3.117 0 40 HGAB CSc1ccc(N2C[C@H](C(=O)NC[C@@H](c3cccc(F)c3)N(C)C)CC2=O)cc1 32730853 ZVOWKENQCALEFI-UZLBHIALSA-N 415.534 3.320 0 40 HGAB CCOC(=O)C1=C(COC(=O)c2cc(C(C)C)nc3ccccc23)NC(=O)N[C@@H]1C 32741960 JCQFDQAWHTWNRI-CYBMUJFWSA-N 411.458 3.034 0 40 HGAB O=C(CCCc1nc2ccccc2c(=O)[nH]1)Nc1nnc(Cc2ccccc2)s1 32971621 YEFAZSHQVVSUCQ-UHFFFAOYSA-N 405.483 3.327 0 40 HGAB COc1ccc(-c2nc(CN3CCN(C(=O)c4ccccc4Cl)CC3)no2)cc1 34904630 GAURXVUOVLMVKT-UHFFFAOYSA-N 412.877 3.357 0 40 HGAB COc1cc(CNC(=O)c2cc(Cl)ccc2Cl)ccc1OCC(=O)N(C)C 40106845 ICPARXFYBQQIER-UHFFFAOYSA-N 411.285 3.399 0 40 HGAB COC(=O)C[C@@H](NC(=O)c1cccc(C(=O)OC)c1)c1ccc(Br)cc1 40132763 OOKXTQHYEJEGRQ-MRXNPFEDSA-N 420.259 3.270 0 40 HGAB CN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)Nc1ccc(OC(F)(F)F)cc1 40286674 SEGYJINVIXCXNV-LJQANCHMSA-N 419.359 3.133 0 40 HGAB COc1ccc(F)cc1S(=O)(=O)NCC1CCN(C(=O)Oc2ccccc2)CC1 43957163 SVPMKKJFMBVWQV-UHFFFAOYSA-N 422.478 3.024 0 40 HGAB CC[C@H](NC(=O)[C@H]1CN(S(C)(=O)=O)c2ccccc2O1)c1ccc(C)cc1C 44856731 UOBWZHRRPMKXLZ-FXAWDEMLSA-N 402.516 3.098 0 40 HGAB Cc1cc(Br)ccc1NC(=O)CSc1cc(-n2cccn2)ncn1 49404027 HWWVTIYTYRLWBP-UHFFFAOYSA-N 404.293 3.464 0 40 HGAB O=C(Nc1nnc(COc2ccccc2)s1)[C@@H]1CC(=O)N(c2ccccc2F)C1 49550770 CPUCHHMQPQFMFX-CYBMUJFWSA-N 412.446 3.248 0 40 HGAB CS(=O)(=O)c1ccc(F)c(NC(=O)[C@H]2CC(c3ccc(Cl)s3)=NO2)c1 55012363 ZUJPURDKUCMZCA-GFCCVEGCSA-N 402.856 3.076 0 40 HGAB COc1cccc(NC(=O)Cn2cnc3c(cnn3-c3ccc(C(C)C)cc3)c2=O)c1 57486491 CDSLTLAZSSHZCV-UHFFFAOYSA-N 417.469 3.353 0 40 HGAB CCOc1ccc(NC(=O)COCCC(C)C)cc1S(=O)(=O)N(CC)CC 58017907 ZEGVKORLTFNOTL-UHFFFAOYSA-N 400.541 3.117 0 40 HGAB COc1cc(OC)cc(C(=O)Nc2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)c1 59328764 KUNZEVXJSLAYQI-OAHLLOKOSA-N 418.515 3.377 0 40 HGAB O=C(CCC(=O)N1CCN(c2nsc3ccccc23)CC1)N1CCCCCC1 61720742 OVVDCPNJNMEEBX-UHFFFAOYSA-N 400.548 3.128 0 40 HGAB CC(C)(C)OC(=O)N1CCN(C2CCN(C(=O)OCc3ccccc3)CC2)C1=O 71788934 JKGURJFEDPZIBP-UHFFFAOYSA-N 403.479 3.460 0 40 HGAB Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NC[C@@H]3CCCC[C@@H]3O)c2)cc1 72293724 VUCLTNDDTIWXRI-RXVVDRJESA-N 416.543 3.101 0 40 HGAB CC[C@@H](Cn1nc(-c2cccs2)ccc1=O)NC(=O)CCc1c(C)noc1C 72324243 OUVUSYHOOUJSHQ-HNNXBMFYSA-N 400.504 3.104 0 40 HGAB O=C(c1sc2ccccc2c1[C@H]1CN(Cc2cccnc2)CCO1)N1CCOCC1 72354987 WGZXHIPBMPMERX-LJQANCHMSA-N 423.538 3.342 0 40 HGAB Cc1ccccc1OCC(=O)Nc1cc(N2CCN(Cc3ccccc3)CC2)ncn1 77200562 ROCXOVLXASXRDZ-UHFFFAOYSA-N 417.513 3.125 0 40 HGAB C[C@@H](NC(=O)N1CCN(Cc2ccccc2)CC1)C(=O)Nc1ccc2[nH]ccc2c1 80336860 ODNGJTGIQWPBRT-QGZVFWFLSA-N 405.502 3.022 0 40 HGAB CC[C@@H](NC(=O)c1ccc2c(c1)nc(C)n2C)[C@H]1CN(Cc2ccccc2)CCO1 84727093 KVDNYOUQVVIMOU-NFBKMPQASA-N 406.530 3.291 0 40 HGAB CC(=O)Nc1c[nH]nc1[C@H]1CCCN(C(=O)Cc2ccccc2Br)C1 95998634 OSXIGSRYHTWEGT-AWEZNQCLSA-N 405.296 3.079 0 40 HGAB O=C1[C@H]2C(c3ncc(C(F)(F)F)cc3Cl)=NO[C@H]2C(=O)N1Cc1ccccc1 100923342 OXKUMHSBMLQAKC-SWLSCSKDSA-N 409.751 3.042 0 40 HGAB O=C1Nc2ccccc2[C@]12Nc1ccccc1-c1nc(=O)c(-c3ccc(F)cc3)nn12 102112497 GHSHIZYPVNPTQI-HSZRJFAPSA-N 411.396 3.190 0 40 HGAB CC[C@@H](NC(=O)c1cccc(N(C)S(C)(=O)=O)c1C)c1ccc(OC)c(OC)c1 222443735 KTKCYMVTAZEXQP-QGZVFWFLSA-N 420.531 3.289 0 40 HGAB COc1cccc(N(C)C(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1 222890147 OHODSSAZNIUUMO-UHFFFAOYSA-N 416.543 3.465 0 40 HGAB CCCCOC(=O)c1ccc(NS(=O)(=O)c2cc3oc(=O)n(C)c3cc2C)cc1 223339425 GCHOPKDTNZQNIC-UHFFFAOYSA-N 418.471 3.198 0 40 HGAB COc1ccc(C(=O)NC2CC2)cc1CN(C)S(=O)(=O)c1ccc(Cl)cc1 224787545 MOOPVASTNUTBPR-UHFFFAOYSA-N 408.907 3.062 0 40 HGAB COc1ccc(OC[C@@H](C)NC(=O)c2cccc(I)c2)cc1 224964681 ZTPOICCFNAWSKS-GFCCVEGCSA-N 411.239 3.497 0 40 HGAB Cc1cccc(C)c1N(CC(=O)Nc1nnc(SC(C)C)s1)S(C)(=O)=O 225094489 LMVSXAZBLUZZAS-UHFFFAOYSA-N 414.578 3.060 0 40 HGAB CC(=O)Nc1cccc(NC(=O)Cn2ccc(=O)c3ccc(Br)cc32)c1 225742298 MVTKXRUHLKHWFS-UHFFFAOYSA-N 414.259 3.361 0 40 HGAB O=C(c1cccc(OCc2ccccc2)c1)N1CC(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)C1 238830623 FVCUHZPAXKZRAQ-SZPZYZBQSA-N 416.477 3.041 0 40 HGAB COc1ccc2c(c1)O[C@@]1(C[C@H]3CC[C@H]1C[C@@H]3C(=O)NCCc1ccccc1)NC2=O 247965768 SCGUHDRBLOOLMO-KPEVFZTJSA-N 420.509 3.309 0 40 HGAB Cc1cccc2c(C[C@H](C)NC(=O)CN3C(=O)N[C@]4(CCCC[C@H]4C)C3=O)c[nH]c12 248327985 BCGALRMSQQEZNK-SYJLOODJSA-N 410.518 3.024 0 40 HGAB O=C(N[C@H]1C[C@H]2CC[C@H]1C2)C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1 250117112 OAEYOIFYYGQVGM-FNHZYXHNSA-N 410.967 3.187 0 40 HGAB Cc1ncc(-c2nccnc2[C@@H]2CCCN(C(=O)c3n[nH]c4ccccc34)C2)n1C 257308310 TWGUPUGXCIFWLK-OAHLLOKOSA-N 401.474 3.082 0 40 HGAB COc1ccc(-c2cccc([C@@H]3CN(C(=O)CCN4CCC(C)=N4)CCO3)n2)cc1 257321123 WAEDXQVQHIXCIY-QFIPXVFZSA-N 408.502 3.129 0 40 HGAB Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N2CC(=O)Nc3ccccc32)cc1 408630042 MPTMQBSZGZUSMS-UHFFFAOYSA-N 421.478 3.395 0 40 HGAB CCn1c(SCC(=O)Nc2ncccc2C)nnc1[C@H](C)NC(=O)c1ccccc1 409137054 UUUHLPBPDNJGBN-HNNXBMFYSA-N 424.530 3.223 0 40 HGAB CCCCNC(=O)CN1CC[C@]2(O)CCCC[C@H]2[C@@H]1c1ccc(OC)c(OC)c1 503984112 ZGZBWUSZKAEWNH-OFAXGOBFSA-N 404.551 3.288 0 40 HGAB biogenic Cc1ccc(N2C[C@@H](C(=O)NCc3nccnc3-c3ccsc3)CC2=O)cc1C 575619054 LQVXTMMSXBSGHE-KRWDZBQOSA-N 406.511 3.491 0 40 HGAB CC(C)n1nccc1CN1CCCCCc2cc(F)ccc2OC[C@@H](O)[C@@H](O)CC1 1615156056 AZSXDOGAKQITMU-FCHUYYIVSA-N 419.541 3.322 0 40 HGAB CC1CCN(S(=O)(=O)c2ccc(C(=O)OCC(=O)c3ccccc3)cc2)CC1 643258 NWAQFWKLTXEHQL-UHFFFAOYSA-N 401.484 3.147 0 40 HGAB COc1ccc(OCc2nnc(SCC(=O)Nc3ccccc3OC)o2)cc1 849511 VJOZBUOODWEPQI-UHFFFAOYSA-N 401.444 3.397 0 40 HGAB COc1ccc2[nH]c(=O)c(CN(Cc3cccnc3)C(=S)NCC(C)C)cc2c1 879907 AEXNJTBDCROODS-UHFFFAOYSA-N 410.543 3.464 0 40 HGAB CC[C@H](OC(=O)c1nsc(Cl)c1Cl)C(=O)NCc1ccc2c(c1)OCO2 1381352 WYMVLVIYCPHVPW-VIFPVBQESA-N 417.270 3.430 0 40 HGAB CCOC(=O)c1c(C)n(C)c2ccc(OC)c(NC(=O)CN3CCC(C)CC3)c12 2261421 BRNMORCPIOASLE-UHFFFAOYSA-N 401.507 3.342 0 40 HGAB COc1ccc(NC(=O)C(=O)c2cn(CC(=O)N3CCCC3)c3ccccc23)cc1 3007638 XUTVQBXSEJJCNB-UHFFFAOYSA-N 405.454 3.094 0 40 HGAB CCc1ccc(-n2c(=O)c3ccccc3n3c(S[C@H]4CCOC4=O)nnc23)cc1 3280418 KWWIXLKZYRJRTB-KRWDZBQOSA-N 406.467 3.003 0 40 HGAB CCOC(=O)N1CCc2c(sc(NC(=O)c3ccc(Cl)cc3)c2C(N)=O)C1 4274509 NNWFNTPLZPJZSH-UHFFFAOYSA-N 407.879 3.267 0 40 HGAB CCc1ccc(NC(=O)CSc2nc(=O)n(Cc3ccncc3)c3c2CCC3)cc1 4330105 NCRRZWCEIOSUGA-UHFFFAOYSA-N 420.538 3.469 0 40 HGAB CC[C@H](C)N(C(=O)CSc1nc2ccc(Cl)cc2[nH]1)[C@H]1CCS(=O)(=O)C1 4484993 ODKAQTBFUPEBJJ-AAEUAGOBSA-N 415.968 3.123 0 40 HGAB O=S(=O)(NC[C@H](c1cccs1)S(=O)(=O)c1cccs1)c1ccccc1 4553878 XXWZXPXHFXLSPV-OAHLLOKOSA-N 413.567 3.303 0 40 HGAB Cc1cc(C(=O)COC(=O)/C=C/c2ccc3c(c2)OCO3)c(C)n1C[C@@H]1CCCO1 4836407 PBAUGQWVMUJCNL-IWHGQQBYSA-N 411.454 3.452 0 40 HGAB COc1cccc([C@H](C(=O)NC2CCCCC2)N(C(=O)c2csnn2)C2CC2)c1 4965055 IGYDKZDJCNLGHU-LJQANCHMSA-N 414.531 3.342 0 40 HGAB COc1ccccc1N1C[C@H](C(=O)O[C@@H](C)C(=O)c2c[nH]c3ccccc23)CC1=O 5189244 DXYUWVBNNRJMRT-LSDHHAIUSA-N 406.438 3.344 0 40 HGAB CC(C)NC(=O)NCc1ccc(C(=O)O[C@@H](C)C(=O)N2CCc3ccccc3C2)cc1 5562203 IHRZRRCFDAORNG-KRWDZBQOSA-N 423.513 3.024 0 40 HGAB COC(=O)c1c(NC(=O)COC(=O)c2n[nH]c3ccccc23)sc2c1CCCC2 6370696 SYLOSLQERTWROB-UHFFFAOYSA-N 413.455 3.085 0 40 HGAB O=C([C@@H](Sc1nnnn1-c1ccc(Cl)cc1)c1ccccc1)N1CCOCC1 6842511 QZXIECICIHWBLD-KRWDZBQOSA-N 415.906 3.008 0 40 HGAB O=C(NCc1ccc(Cl)cc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 7068582 QKFXOBKCDIUZRW-OAHLLOKOSA-N 410.898 3.196 0 40 HGAB CCCc1n[nH]c(S/C(=C\c2cc(Br)c(N(C)C)o2)C(=O)O)n1 7342313 WRKPPWXGVFWSBQ-YFHOEESVSA-N 401.286 3.397 0 40 HGAB Cc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)C(C)(C)Oc2ccc(Cl)cc2)n1 7418997 ZJMBAJIQAFOSRU-UHFFFAOYSA-N 401.854 3.022 0 40 HGAB CC1CCC2(CC1)NC(=O)N(CC(=O)N[C@@H](C)c1ccc(Br)cc1)C2=O 7717758 BNBRWYZNQIBCFG-MLZJXEJWSA-N 422.323 3.127 0 40 HGAB O=C([C@@H](Sc1nnc(-c2cccnc2)n1C1CC1)c1ccccc1)N1CCOCC1 7799722 ANGOEEDQKCRZQY-IBGZPJMESA-N 421.526 3.367 0 40 HGAB CC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N(C)Cc2ccc(C)cc2C)C1=O 7823674 JVYBLDFOHJRXQA-HSZRJFAPSA-N 411.477 3.258 0 40 HGAB CCCSc1nc2c(c(=O)[nH]1)[C@H](c1cccc(OC)c1)C(C(=O)OC)=C(C)N2 8135230 VDWAFTRCNNJVMD-OAHLLOKOSA-N 401.488 3.285 0 40 HGAB Cc1cccc(C)c1N1C[C@H](C(=O)OCC(=O)Nc2cccc(Cl)c2)CC1=O 8433818 DAISLPHRRWAUDL-OAHLLOKOSA-N 400.862 3.492 0 40 HGAB CCN1CCC[C@H]1CNC(=O)COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1 8879713 QPFQUDVKEBEAJM-KRWDZBQOSA-N 422.481 3.145 0 40 HGAB biogenic O=c1c([C@H]2NCCc3c2[nH]c2ccccc32)c(O)nc(O)n1-c1ccc(Cl)cc1 9012698 XUXXIFTTYWPWFA-GOSISDBHSA-N 408.845 3.014 0 40 HGAB biogenic Cc1ccc(S(=O)(=O)Nc2nc(N)n(-c3nc(-c4ccccc4)cs3)n2)cc1 9421804 VDKCBFDPTLZCPJ-UHFFFAOYSA-N 412.500 3.082 0 40 HGAB O=C(CC[C@@H]1NC(=O)N(Cc2ccco2)C1=O)NCc1ccc(Cl)cc1Cl 9577040 UVKVDSHFAKUFRB-HNNXBMFYSA-N 410.257 3.103 0 40 HGAB CCOC(=O)C1=C(C)N=c2s/c(=C\C=C/c3ccccc3)c(=O)n2[C@@H]1c1ccco1 11614222 MNOTYIZPMXVOMY-UNSRGBEPSA-N 420.490 3.056 0 40 HGAB Cc1cc(C)c(CNC(=O)c2ccc(OCc3cn4cccc(C)c4n3)cc2)c(=O)[nH]1 11716424 DBRGJRZOPBFUPW-UHFFFAOYSA-N 416.481 3.457 0 40 HGAB CC(C)Oc1ccc(NC(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2Cl)cc1 12006031 KAUTZQLNLDHLMD-UHFFFAOYSA-N 422.890 3.446 0 40 HGAB COc1ccc(-c2cc3nc([C@H](C)NC(=O)Cc4cccc(OC)c4)nn3cn2)cc1 12085157 OQLCRKPFECIVFV-HNNXBMFYSA-N 417.469 3.228 0 40 HGAB CCOC(=O)c1cnc(S[C@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)nc1N 12521571 YRBHGIXYMZDTIG-SECBINFHSA-N 414.409 3.374 0 40 HGAB COc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N3C[C@H](C)O[C@@H](C)C3)c2)cc1 12525930 INXPVAWIXOVMLZ-HOTGVXAUSA-N 418.515 3.054 0 40 HGAB COc1ccc(OC)c([C@H](O)C[C@H]2c3c(cc4c(c3OC)OCO4)CCN2C)c1 12660492 GREBKDKZYPDUEK-DLBZAZTESA-N 401.459 3.094 0 40 HGAB biogenic CCc1nnc(NC(=O)[C@H]2CC(=O)N(c3ccc(Br)c(C)c3)C2)s1 12978480 YNTZAZHTYXOLCR-JTQLQIEISA-N 409.309 3.163 0 40 HGAB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N3C[C@H](C)O[C@H](C)C3)cc2)cc1 13002262 UKWVCWMPOJTSCF-CALCHBBNSA-N 402.516 3.070 0 40 HGAB CCOc1ccc(CNC(=O)[C@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)cc1 13672177 OFSIPMBUQQKNKS-AWEZNQCLSA-N 410.923 3.210 0 40 HGAB COc1cccc(CN2CCN(C(=S)Nc3ccc(OC)c(OC)c3)CC2)c1 13767892 RQXUBRGXIVEJEA-UHFFFAOYSA-N 401.532 3.227 0 40 HGAB CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CSc1ncnc2sccc12 14070333 WAPWTJJGTKHGCD-UHFFFAOYSA-N 411.512 3.069 0 40 HGAB CCCn1c(=O)c2ccccc2n2c(SC[C@H](O)COc3ccc(C)cc3)nnc12 15243647 GUTYXXRFQFCIHS-MRXNPFEDSA-N 424.526 3.295 0 40 HGAB COc1cccc(N2C[C@H](C(=O)NCc3cc(-c4ccccc4F)on3)CC2=O)c1 16838519 YZHQDWOJXZIVCT-CQSZACIVSA-N 409.417 3.159 0 40 HGAB CC(=O)NC12C[C@H]3C[C@@H](C1)CC(C(=O)OCC(=O)N[C@@H]1CCCc4ccccc41)(C3)C2 18141390 MHZWNHTUTPOBJH-FMWRSJORSA-N 424.541 3.199 0 40 HGAB CN(C)C(=O)[C@]1(Cc2ccc(-c3ccsc3)cc2)CCN(C(=O)c2ccn(C)n2)C1 19290860 JZZFRWISAXZCSP-QHCPKHFHSA-N 422.554 3.312 0 40 HGAB CCC(CC)N1CCc2nc3cc(C4CCN(C(=O)C(C)C)CC4)nn3c(O)c2C1 19500284 HSYMFVGGMGFOKO-UHFFFAOYSA-N 413.566 3.344 0 40 HGAB CCc1ncc(CN2CCC[C@](Cc3cccc(-c4ccncc4)c3)(C(N)=O)C2)cn1 19523368 RPHQQOASVSFMKS-RUZDIDTESA-N 415.541 3.411 0 40 HGAB COc1cc(C(=O)N2CCC[C@H]2c2n[nH]cc2-c2ccncc2)cc(OC)c1OC 19549521 RLNVREFAYGVXSM-KRWDZBQOSA-N 408.458 3.475 0 40 HGAB CN(C)C(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CCCN(C(=O)[C@H]2CCCO2)C1 19578961 XVWCBXZUACRGBT-RCZVLFRGSA-N 421.541 3.167 0 40 HGAB COc1cccc(-c2cnc(N(C)C)nc2[C@@H]2CCCN2C(=O)c2cnn(C)c2C)c1 19689439 PXFAGEUWKBFMGJ-FQEVSTJZSA-N 420.517 3.237 0 40 HGAB CCn1ccnc1CN1CCC(Cc2nn(C)cc2C(=O)NCc2ccccc2)CC1 19756282 NQIYCNMBZYDUMO-UHFFFAOYSA-N 420.561 3.021 0 40 HGAB CC(C)(CN1CCN(Cc2ccccc2)CC1)NS(=O)(=O)c1ccc(Cl)cc1 21487228 LNFPVLUKRXBVRI-UHFFFAOYSA-N 421.994 3.215 0 40 HGAB O=C(c1cc(-c2cccs2)on1)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 21524181 SEKMNTGXLFNYOE-GFCCVEGCSA-N 408.526 3.294 0 40 HGAB O=C(Nc1ccccc1O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1F 23075007 UDKUMRPTPMOWJQ-GOSISDBHSA-N 414.458 3.060 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)OC2CCCCC2)c1 23227070 CCELDSTUGRZZAK-UHFFFAOYSA-N 424.563 3.043 0 40 HGAB Cc1ccccc1[C@H](OC[C@H](O)CN1C(=O)NC2(CCCC2)C1=O)c1ccccc1 24094631 RVBAJRSJRVRAJT-TZIWHRDSSA-N 408.498 3.327 0 40 HGAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)CCc1nnc(-c2ccccc2)o1 24331974 PWBWEHANJODXJB-INIZCTEOSA-N 402.458 3.470 0 40 HGAB CC(C)c1ccccc1-n1ccnc1S[C@@H](C)C(=O)N1CCC[C@H](C(N)=O)C1 25414356 FXXGWORSYPQIQW-HOTGVXAUSA-N 400.548 3.200 0 40 HGAB CCOc1ccc(C(=O)Nc2nnc(S(=O)(=O)Cc3ccccc3F)s2)cc1 27664706 VDCPNNNRPAEMHI-UHFFFAOYSA-N 421.475 3.302 0 40 HGAB CN(C)C1=NC(=O)[C@@H](CC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)S1 28757301 MYOYCUYKAZQWRJ-MRXNPFEDSA-N 415.902 3.459 0 40 HGAB COc1cc(CN(C(=O)c2nc3nc(C)cc(C)n3n2)C2CC2)ccc1OC(F)F 29767007 ZGXBUQBCBNVRSO-UHFFFAOYSA-N 417.416 3.156 0 40 HGAB O=C1COc2ccc(S(=O)(=O)NCC(c3ccccc3)c3ccccc3)cc2N1 30445069 UNRKJDUQQFQYDH-UHFFFAOYSA-N 408.479 3.128 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)NCc2ccc(F)cc2)cc1 30983347 UPOORCDKMOLBKS-HNNXBMFYSA-N 407.511 3.417 0 40 HGAB O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NCc1ccc(COc2ccccc2)cc1 32304929 WIUCKHYONBPBAI-NHCUHLMSSA-N 406.482 3.057 0 40 HGAB CCOC(=O)/C=C/c1ccc(NC(=O)C2CCN(C(=O)c3ccncc3)CC2)cc1 32464903 WWKVWJLFHFUBLO-VMPITWQZSA-N 407.470 3.149 0 40 HGAB CCOC(=O)C1=C(CNc2ccccc2OCC)NC(=O)N[C@@H]1c1cccs1 32718889 QJMZFSQQVMBQER-GOSISDBHSA-N 401.488 3.430 0 40 HGAB O=C(Cc1c(F)cccc1Cl)N1CCN(Cc2nc(-c3ccccc3)no2)CC1 32778251 HMLOINAKGPBAQV-UHFFFAOYSA-N 414.868 3.416 0 40 HGAB O=C(NCCc1cn2c(n1)CCCC2)NCc1ccc(COCC(F)(F)F)cc1 32803547 QUGXNXMYOVYODX-UHFFFAOYSA-N 410.440 3.340 0 40 HGAB CN(C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)[C@H]1CCc2ccccc21 32905673 UFCMFZQNDTWADX-UWJYYQICSA-N 416.518 3.372 0 40 HGAB COc1ccc(CNC(=O)CSc2nc(C3CC3)nc(C)c2C(C)=O)cc1OC 32908136 HGCGZLULJNAOQM-UHFFFAOYSA-N 415.515 3.291 0 40 HGAB O=C(CNC(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1)NCc1ccco1 39995701 DTLQFJRMZDGHCG-UHFFFAOYSA-N 418.375 3.483 0 40 HGAB O=C(NCc1cccc(OCC(F)(F)F)c1)c1ccc(=O)n(-c2ccccc2)n1 40111896 BKKXGEDSLXJYQW-UHFFFAOYSA-N 403.360 3.104 0 40 HGAB Cc1cc(C)n(-c2ccc(CNC(=O)c3ccc4c(c3)NC(=O)CCS4)cn2)n1 40146803 UMRARXXYAOAYOY-UHFFFAOYSA-N 407.499 3.248 0 40 HGAB CCOc1ccc([C@@H](C)NC(=O)CN(c2cc(C)ccc2C)S(C)(=O)=O)cc1 44846509 HVEZZZVFNUDGNF-QGZVFWFLSA-N 404.532 3.346 0 40 HGAB CS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc(OCc3ccccc3)cc2)cc1 46542375 MXUVZPDXGPTLND-UHFFFAOYSA-N 417.508 3.470 0 40 HGAB Cc1cc(S(=O)(=O)N(C)C)cc(NCC(=O)N2c3ccccc3CC[C@H]2C)c1C 57974132 KIBOVEQPJGKLGG-MRXNPFEDSA-N 415.559 3.334 0 40 HGAB CCc1noc([C@@H](C)N2CCN(S(=O)(=O)c3c(C)c(C)c(C)c(C)c3C)CC2)n1 58646964 QUOKEOIFKMHWEV-GOSISDBHSA-N 420.579 3.242 0 40 HGAB Cc1ccccc1OCCNC(=O)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1 59417476 VMVFHIKPGOFJQE-OAHLLOKOSA-N 417.303 3.306 0 40 HGAB CC(C)c1ccc(N2C(=O)CN(C3CCCCCC3)[C@@H]3CS(=O)(=O)C[C@H]32)cc1 63389187 OLHOSTGLYPRTOV-NHCUHLMSSA-N 404.576 3.347 0 40 HGAB CCOc1ccccc1N1CCN(C(=O)c2n[nH]nc2Nc2ccccc2F)CC1 67284435 YSESJMNJCCKWHV-UHFFFAOYSA-N 410.453 3.049 0 40 HGAB CCOc1ccccc1NC(=O)Cn1nnc(C(=O)Nc2c(C)cccc2C)c1C 71327301 GRANJZZCVYKKRZ-UHFFFAOYSA-N 407.474 3.493 0 40 HGAB Cc1cc(C)n(C[C@@H](C)C(=O)N[C@@H]2C[C@@]3(CCC(=O)N(C)CC3)Oc3ccccc32)n1 72327775 MNXHWOZKCJPKTQ-MYRUOYEDSA-N 424.545 3.157 0 40 HGAB Cc1ccc2c(c1)C(=O)C[C@@]1(CCC(=O)N([C@H](C)C(=O)Nc3nccs3)CC1)O2 72328046 RZTDMDQTBPZNMN-SZNDQCEHSA-N 413.499 3.195 0 40 HGAB COc1ccc(OCCc2cc([C@@H]3CCN(C(=O)c4scnc4C)C3)n[nH]2)cc1 72371526 MMEIEJRYRNDGEI-OAHLLOKOSA-N 412.515 3.434 0 40 HGAB Cc1cc(=O)c(OCC(=O)Nc2nc3ccc(OC(F)(F)F)cc3s2)co1 72404875 CCEWJNWQHVHNPA-UHFFFAOYSA-N 400.334 3.474 0 40 HGAB O=C(Nc1cccc(OC(F)F)c1)N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO 78975205 SJZWHCIWHXUESG-LPHOPBHVSA-N 405.445 3.293 0 40 HGAB C[C@H]1Oc2ccccc2O[C@@H]1C(=O)OCC(=O)c1cnc(N2CCCCC2)s1 84678449 ZFMLVBMABOIBSD-ACJLOTCBSA-N 402.472 3.088 0 40 HGAB C[C@H](CO)NC(=O)[C@H](NC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1 95471326 BXCUNTJJGJDHPO-WZONZLPQSA-N 402.494 3.173 0 40 HGAB COc1ccc(CCc2n[nH]c(NC(=O)c3sc(-n4cccc4)nc3C)n2)cc1 95473331 CJMUIOPFOPWDOY-UHFFFAOYSA-N 408.487 3.406 0 40 HGAB CN1C(=O)[C@@H](NC(=O)NCCc2ccccc2)N=C(c2ccccc2)c2ccccc21 95929327 KANKPFFURFNGBE-HSZRJFAPSA-N 412.493 3.368 0 40 HGAB CC1(C)C(=O)Nc2ccc(S(=O)(=O)Nc3c(F)c(F)c(F)c(F)c3F)cc21 95995667 HHDMNSIROWJUHE-UHFFFAOYSA-N 406.332 3.413 0 40 HGAB O=C(C[C@@H]1CC2(CCN(Cc3cccnc3)CC2)c2ccccc21)N1CCOCC1 96052817 AVVVUDJGWCYVSE-OAQYLSRUSA-N 405.542 3.352 0 40 HGAB COc1ccc(Cl)cc1NC(=O)C(=O)NCC1(OC)C2CC3CC(C2)CC1C3 96123925 FSNRRLDXFWZYCO-UHFFFAOYSA-N 406.910 3.245 0 40 HGAB COc1cccc(NC(=O)c2cnn3c2NC(C(=O)O)=C[C@H]3c2ccccc2F)c1 102810688 DGNMHMARYIYICT-SFHVURJKSA-N 408.389 3.267 0 40 HGAB CC[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1)c1ccc(OC)cc1 106129642 DDESFWHWMSZCGB-WIYYLYMNSA-N 416.543 3.363 0 40 HGAB CC[C@H](NC(=O)CCN1C(=O)c2ccccc2S1(=O)=O)c1ccc(C)c(C)c1 219671534 DRURJUYFFHXYFW-SFHVURJKSA-N 400.500 3.106 0 40 HGAB COc1ccc(N([C@@H](C)C(=O)N[C@@H](C)c2ccc(C)cc2)S(C)(=O)=O)cc1OC 220241214 MQKNFRIFMGHFPX-HOTGVXAUSA-N 420.531 3.044 0 40 HGAB COc1ccc2c(c1)[C@H](NC(=O)c1cccc(N(C)S(C)(=O)=O)c1)CC(C)(C)O2 222422828 MHFMBIVQBQFHFX-GOSISDBHSA-N 418.515 3.123 0 40 HGAB C[C@H](Oc1ccc(S(=O)(=O)Nc2nccs2)cc1)C(=O)NC1CCCCC1 223255525 ZKBYQKZDNNEMJF-ZDUSSCGKSA-N 409.533 3.160 0 40 HGAB CC[C@@H](C)NS(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2Cl)s1 223513254 HQXAJYREWKMGQQ-SSDOTTSWSA-N 409.320 3.174 0 40 HGAB COc1ccc(OC)c([C@@H](C)NS(=O)(=O)c2ccc(SC)c(NC(C)=O)c2)c1 223707903 DHMHHUROYJPWRK-GFCCVEGCSA-N 424.544 3.424 0 40 HGAB C[C@H](CC(C)(C)c1ccccc1)NC(=O)CN(Cc1ccccc1)S(C)(=O)=O 223729834 SSMFSLNITZHSDI-GOSISDBHSA-N 402.560 3.321 0 40 HGAB COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2C(=O)NC(C)(C)C)c1 223843124 SEFGDIFILBCVOY-UHFFFAOYSA-N 424.906 3.456 0 40 HGAB Cc1ccc(S(=O)(=O)N(C)CC(=O)NCCOc2ccc(C(C)(C)C)cc2)cc1 224281993 MDSVPBBHXXGVHV-UHFFFAOYSA-N 418.559 3.108 0 40 HGAB CCCSc1nnc(NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2Cl)s1 224695038 WJKONMWKKHFSKE-UHFFFAOYSA-N 420.969 3.342 0 40 HGAB O=C(O)CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccc2c(c1)OCCO2 224841978 FZKPXPFCBHSOIP-UHFFFAOYSA-N 418.254 3.045 0 40 HGAB CC1(C)C[C@@H](NS(=O)(=O)c2nnc(NC(=O)C(C)(C)C)s2)c2ccccc2O1 225172642 NYBDUEZZONXFEQ-GFCCVEGCSA-N 424.548 3.103 0 40 HGAB O=C(Cn1ccc(=O)c2cc(F)ccc21)Nc1ccc(I)cc1 225749920 HBBZDBBZRQEKJQ-UHFFFAOYSA-N 422.197 3.384 0 40 HGAB Cc1ccnc(C(=O)N2CCC3(CC2)NC(=O)c2sc(-c4cccs4)nc23)c1 306134073 NDAADQSWHFEPOY-UHFFFAOYSA-N 410.524 3.450 0 40 HGAB CCN(CC)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C(=O)OC)cc2)cc1 408561393 ISLWKNBPQKVXGX-UHFFFAOYSA-N 405.476 3.148 0 40 HGAB COC(=O)c1ccc(NS(=O)(=O)c2ccc(NC(=O)N3CCCCC3)cc2)cc1 408562384 PGHSFLUQZICKDJ-UHFFFAOYSA-N 417.487 3.292 0 40 HGAB O=C(Nc1c(F)cccc1F)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1 408600770 CIFCESFYCGIRME-IBGZPJMESA-N 416.449 3.493 0 40 HGAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccc(OC)c(Cl)c2)cc1 408602707 IVAIIJYOLYSGHO-GFCCVEGCSA-N 412.895 3.053 0 40 HGAB COc1ccc(OCC(=O)Nc2ccc(I)cc2F)cc1 408619925 DJKXJOCPIJMFIN-UHFFFAOYSA-N 401.175 3.456 0 40 HGAB Cc1ccc(C)c(N(CCCC(=O)N2CCc3ccccc3C2)S(C)(=O)=O)c1 408706329 BDOFVVVUPMSMFW-UHFFFAOYSA-N 400.544 3.435 0 40 HGAB CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(s/c(=C\c3sccc3C)c2=O)=N1 409046535 RMBNSPKSQXVTJK-GTVARFKMSA-N 424.547 3.168 0 40 HGAB CCn1c(CNC(=O)c2ccccc2)nnc1SCC(=O)N[C@H]1CCCC[C@@H]1C 409154754 PSZFDYAJNAQIKS-RDJZCZTQSA-N 415.563 3.015 0 40 HGAB O=c1onc(-c2cccc(Br)c2)n1Cc1noc(-c2ccsc2)n1 522202889 BSJGHUOQXORUTH-UHFFFAOYSA-N 405.233 3.426 0 40 HGAB CC1(C)[C@@H]2C[C@@H]1CC=C2COC[C@H](O)CN[C@@H](CO)c1ccc(Br)cc1 542911232 YKKDKPDLCCHKMH-NBYUQASBSA-N 424.379 3.442 0 40 HGAB O=C(Cc1ccc2c(c1)CCCO2)N1Cc2cccn2C[C@H](OCc2ccccn2)C1 575403954 JGOZSPBQMWEZRY-QHCPKHFHSA-N 417.509 3.378 0 40 HGAB CC[C@@H](NC(=O)c1cc2cnn(C(C)C)c2nc1C)c1ccccc1OCC(=O)NC 614772949 QOWOOIHKYUNZRN-LJQANCHMSA-N 423.517 3.327 0 40 HGAB COc1ccc(Cl)c2sc(N3CCC[C@H](NS(=O)(=O)C4CC4)C3)nc12 1889179535 LZKSZJVFVBAKEM-JTQLQIEISA-N 401.941 3.009 0 40 HGAB Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)Nc2nccs2)c2ccccc2)cc1 1100283 VEZUPPOFMLQPRS-KRWDZBQOSA-N 401.513 3.500 0 40 HGAB CCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)CCN1CCCCC1 2255987 RVGUXHLOITURFQ-UHFFFAOYSA-N 403.479 3.176 0 40 HGAB Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)OCC(=O)NCc1cccs1 2649346 WZCJLOMGWWGZNM-UHFFFAOYSA-N 403.891 3.428 0 40 HGAB O=C(CNC(=O)c1ccc(Br)o1)NCCc1ccc(Cl)cc1Cl 3429404 FIHMOBNYSQWVET-UHFFFAOYSA-N 420.090 3.438 0 40 HGAB Cc1ccc(C(=O)Nc2cccc3ccccc23)cc1S(=O)(=O)N1CCOCC1 3549140 VIBMEPNNFYRFDH-UHFFFAOYSA-N 410.495 3.421 0 40 HGAB O=C(Nc1nnc(C2CC2)s1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 3550776 UMVHZZDQSPQSNG-UHFFFAOYSA-N 406.533 3.233 0 40 HGAB Cc1cccc(N(CC(=O)NCCC(C)C)C(=O)CCC(=O)Nc2ccccn2)c1 4848264 GQWCYRLPOZRIRD-UHFFFAOYSA-N 410.518 3.304 0 40 HGAB O=S(=O)(c1ccc(Cl)cc1)N1CCC(c2nc(-c3ccccn3)no2)CC1 4983263 UUOFWHANRIZUDD-UHFFFAOYSA-N 404.879 3.353 0 40 HGAB O=C(c1ccccc1)N(Cc1cccc(Br)c1)[C@@H]1CCS(=O)(=O)C1 5576688 QUOSATNCPHOVHU-QGZVFWFLSA-N 408.317 3.279 0 40 HGAB CCOC(=O)c1c(C)[nH]c(C(=O)Cn2cnc3sc4c(c3c2=O)CCCC4)c1C 6087666 VEFQLDXQYPYUAG-UHFFFAOYSA-N 413.499 3.341 0 40 HGAB COc1ccc(NC(=O)CCc2ccc(S(=O)(=O)NC(C)(C)C)cc2)c(OC)c1 6322276 PLRYGVAKZVUAHI-UHFFFAOYSA-N 420.531 3.352 0 40 HGAB COc1cc(NC(=O)C2CCC(Cn3nnc4ccccc4c3=O)CC2)cc(OC)c1 6659560 YNMIQFLVWBGUGU-UHFFFAOYSA-N 422.485 3.254 0 40 HGAB Cc1cccc(NC(=O)Cn2c(=O)n(CCc3ccccc3)c(=O)c3sccc32)c1 6679410 FKCOYGRVHWIEKK-UHFFFAOYSA-N 419.506 3.415 0 40 HGAB Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)c1cc2c(s1)CCCC2 6789974 NDOYRRXUSFSSPB-INIZCTEOSA-N 421.588 3.072 0 40 HGAB CN(C)c1ccc(S(N)(=O)=O)cc1NC(=O)c1cccc(Oc2ccccc2)c1 7106972 VOSQMTHKJRMLDD-UHFFFAOYSA-N 411.483 3.445 0 40 HGAB Cc1nn(CC(C)C)c(Cl)c1C(=O)OCc1nc(N)nc(Nc2ccccc2)n1 7372688 OGENNNVEVICLAC-UHFFFAOYSA-N 415.885 3.369 0 40 HGAB CC(=O)Nc1ccc(-c2nnc(SCC(=O)Nc3cccc(C(C)=O)c3)[nH]2)cc1 7604646 BYYAWCSJIGPWRS-UHFFFAOYSA-N 409.471 3.364 0 40 HGAB O=C(O)CCc1ccc(S(=O)(=O)Nc2ccc(Br)cc2F)cc1 8105735 SWWPRASYSLGRGU-UHFFFAOYSA-N 402.241 3.406 0 40 HGAB C[C@H](NC(=O)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1)C1CC1 8357080 GUIJGCMEMOROKA-NSHDSACASA-N 405.347 3.309 0 40 HGAB O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1nnc(-c2ccco2)o1 8771338 VUDBFSDONYCLRW-UHFFFAOYSA-N 400.394 3.325 0 40 HGAB O=C(NCC(=O)N1CCC[C@@H]1c1nc2ccccc2s1)c1ccc2c(c1)OCO2 9613899 MCAASYMXQCWKCS-OAHLLOKOSA-N 409.467 3.119 0 40 HGAB O=C(NC1=NCCS1)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccncc1 9885333 KBDKQMRFUBBIKZ-UHFFFAOYSA-N 414.494 3.374 0 40 HGAB CCOc1ccc(N([C@H](C)C(=O)NCCCc2ccc(C)cc2)S(C)(=O)=O)cc1 10110463 ALOPPKHYTAAVEZ-GOSISDBHSA-N 418.559 3.297 0 40 HGAB COc1ccc(F)cc1S(=O)(=O)N1CCC(C(=O)Nc2cccc(F)c2)CC1 10302943 NPXSNFLDNXXOFF-UHFFFAOYSA-N 410.442 3.013 0 40 HGAB Cc1cc(CNC(=O)[C@H](C)NS(=O)(=O)c2ccccc2C(F)(F)F)ccc1F 10552644 HYPOGXFUMXRBGI-LBPRGKRZSA-N 418.412 3.136 0 40 HGAB Cc1ccc(C(=O)N[C@H](C(=O)NCCc2cnn(-c3ccccc3)c2)C(C)C)cc1 11147565 OKDVNSCDQNSJBX-QFIPXVFZSA-N 404.514 3.294 0 40 HGAB Cc1cc(=O)[nH]c(-n2nc(C3CC3)cc2NC(=O)c2cc(-c3ccccc3)on2)n1 12123858 PUZHWMRGIFIQLK-UHFFFAOYSA-N 402.414 3.049 0 40 HGAB COc1ccc(NC(=O)c2cc(C3CC3)n([C@@H]3CCS(=O)(=O)C3)n2)cc1Cl 12229653 CDDVVHKVKHKMRO-CYBMUJFWSA-N 409.895 3.034 0 40 HGAB Cc1nc(NC(=O)CNC(=O)/C=C/c2ccccc2)sc1-c1nccn1C(F)F 12535894 OKXLBKOAAGOGBR-BQYQJAHWSA-N 417.441 3.478 0 40 HGAB CC(C)c1nnc(NC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)s1 12742323 LCXDLFNWNPLGIU-UHFFFAOYSA-N 416.528 3.392 0 40 HGAB O=C(CCN1C(=O)COc2ccccc21)Nc1cccc(I)c1 12984829 PPHJENBIWNMCJO-UHFFFAOYSA-N 422.222 3.045 0 40 HGAB Nn1c(SCc2cc(=O)oc3cc(Br)ccc23)nnc1C(F)(F)F 13095595 YPPAWVAAUBAKNA-UHFFFAOYSA-N 421.198 3.172 0 40 HGAB CC[C@H](C(=O)Nc1ccc(NC(C)=O)cc1)N(c1ccc(C)c(C)c1)S(C)(=O)=O 13716570 ZPGYIUMJMVVWOZ-HXUWFJFHSA-N 417.531 3.445 0 40 HGAB COc1ccc(C(=O)Nc2cc(-c3ccccc3)nn2[C@H]2CCS(=O)(=O)C2)cc1 13734296 BMYKYDVBZRYMPC-KRWDZBQOSA-N 411.483 3.171 0 40 HGAB Cc1cc(C(=O)N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)c(C)n1C1CC1 14142090 ZZIFQOYJIFVLDS-XNTDXEJSSA-N 413.543 3.198 0 40 HGAB C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)NCc3ccccc3F)cc2)C1 14142155 YNBIILHLZBJKGU-IYBDPMFKSA-N 404.507 3.422 0 40 HGAB Cc1ccccc1CN(C)C(=O)CSc1nnc([C@H]2COc3ccccc3O2)n1C 14251875 RWUSYYGWNINAGK-LJQANCHMSA-N 424.526 3.387 0 40 HGAB C[C@]1(c2ccc3ccccc3c2)NC(=O)N(CCS(=O)(=O)Oc2ccccc2)C1=O 15236689 URBBEKQTDJOEAR-JOCHJYFZSA-N 424.478 3.016 0 40 HGAB COC(=O)c1cc(CNC(=O)c2cc(C3CC3)nn2-c2ccccc2)ccc1OC 18061494 IFTBAWOWUVPPME-UHFFFAOYSA-N 405.454 3.475 0 40 HGAB Cc1ccc(-c2cc(N)c(=O)n(CC(=O)Nc3ccccc3-n3cccc3)n2)s1 19217507 LYHMSACRQOHYFI-UHFFFAOYSA-N 405.483 3.292 0 40 HGAB O=C(Cn1cnc2sccc2c1=O)/N=c1\sccn1Cc1ccccc1Cl 19295210 KUUMHVMVLNZIRA-UZYVYHOESA-N 416.915 3.150 0 40 HGAB NC(=O)[C@@]1(Cc2cccc(-c3cccc(F)c3)c2)CCCN(C(=O)c2cnccn2)C1 19331322 GYKZYQSHFPSTSJ-XMMPIXPASA-N 418.472 3.233 0 40 HGAB O=C(c1ccco1)N1CCN([C@H](c2ccccc2)c2nnnn2C2CCCCC2)CC1 19369596 KRXNDFRJEBEHQJ-OAQYLSRUSA-N 420.517 3.319 0 40 HGAB COc1cccc(-c2cccc(C[C@H]3CN(C(=O)c4ccccn4)CCNC3=O)c2)c1 19566710 SJXQPEWYVWDFNC-NRFANRHFSA-N 415.493 3.188 0 40 HGAB CCn1ncc(-c2cc(C(=O)Nc3cc4c(cc3Cl)NC(=O)CO4)on2)c1C 19719085 ZCTSWOOYWGINGM-UHFFFAOYSA-N 401.810 3.103 0 40 HGAB CCc1ccc(OCC(=O)NC[C@H](c2ccc(Cl)cc2)N2CCN(C)CC2)cc1 19902230 QQJAXUIGZLDWGB-JOCHJYFZSA-N 415.965 3.386 0 40 HGAB CCOc1cccc(CNC(=O)[C@@H](C)N(c2ccc(C)c(C)c2)S(C)(=O)=O)c1 20458035 APLXCCOZWCLYFJ-QGZVFWFLSA-N 404.532 3.173 0 40 HGAB COc1cccc(N2C(=O)/C(=C/NCCCn3ccnc3)c3ccccc3C2=O)c1 20663949 KNVGXHBBKRPKQL-RCCKNPSSSA-N 402.454 3.100 0 40 HGAB O=C1CCCc2nc(N3CCN(C(=O)c4ccco4)CC3)nc(Nc3ccccc3)c21 20801870 JVXKPHZMQWZAMM-UHFFFAOYSA-N 417.469 3.295 0 40 HGAB C[C@H](Sc1nnc(C[C@H]2CCS(=O)(=O)C2)o1)C(=O)c1cccc(Cl)c1 21623869 PEHOVBIOFLSJDJ-WDEREUQCSA-N 400.909 3.064 0 40 HGAB CCc1nn2c(=O)cc(CSc3ncnc4c3cnn4-c3ccccc3)nc2s1 22035573 NWYLPBLWNITMQI-UHFFFAOYSA-N 421.511 3.135 0 40 HGAB CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NCC(C)C)cc1C 22268077 DAIODQSLOIFACY-HXUWFJFHSA-N 418.559 3.056 0 40 HGAB COc1ccc([C@H](CNC(=O)COc2c(C)cc(C)cc2C)N2CCOCC2)cc1 22402948 TXRHPRCQSVWDGV-QFIPXVFZSA-N 412.530 3.189 0 40 HGAB COc1ccc([C@H](CNC(=O)Nc2ccc(Cl)cc2)N2CCN(C)CC2)cc1 22794027 CNKLTMHYMOLFTA-FQEVSTJZSA-N 402.926 3.459 0 40 HGAB O=C(CN1C(=O)NC2(CCCC2)C1=O)Oc1ccc2cc(Br)ccc2c1 23763526 RNNBCDLKWNDGAF-UHFFFAOYSA-N 417.259 3.372 0 40 HGAB O=C(Cc1csc(-c2ccccc2)n1)Nc1ccc(CN2C(=O)CNC2=O)cc1 24749856 MTCIPDPWEUGCQM-UHFFFAOYSA-N 406.467 3.043 0 40 HGAB CSc1ccc(N2C[C@@H](C(=O)NC[C@H]3CCN(c4ccccc4)C3)CC2=O)cc1 24813867 IRWYXPLYFCYTDI-MSOLQXFVSA-N 409.555 3.404 0 40 HGAB CC(=O)c1cccc(NC(=O)c2ccn(Cn3nc(C)c(Br)c3C)n2)c1 27973604 IHMZYQSUZRAYDF-UHFFFAOYSA-N 416.279 3.420 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCCOc1ccc(F)cc1 30131976 GPKXYFOUTAHQAO-UHFFFAOYSA-N 420.506 3.118 0 40 HGAB CCN(CC)[C@@H](CNC(=O)C1CCN(C(=O)c2ccoc2)CC1)c1ccsc1 31984094 GKDIQZLAYOISHZ-IBGZPJMESA-N 403.548 3.393 0 40 HGAB COc1ccc(CNC(=O)c2ccc3c(=O)n(-c4ccc(OC)cc4)cnc3c2)cc1 32075050 DTDYQDKYTPCVDG-UHFFFAOYSA-N 415.449 3.333 0 40 HGAB COCCCNC(=O)c1c(NC(=O)c2ccc3c(c2)OCO3)sc2c1CCCC2 32722061 GNTDFGWTPIXWKU-UHFFFAOYSA-N 416.499 3.374 0 40 HGAB O=C(NC[C@@H](c1cccs1)N1CCCC1)c1cccc(NC(=O)[C@@H]2CCCO2)c1 32762785 PMJFJLCOQNEHQS-OALUTQOASA-N 413.543 3.433 0 40 HGAB O=S(=O)(c1ccccc1)N(Cc1ccccc1)C[C@H](O)COc1ccc(F)cc1 32765388 ZPPWZMWKOJMLNT-FQEVSTJZSA-N 415.486 3.457 0 40 HGAB O=C(CSc1cccc[n+]1[O-])Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2 32876682 XEEQCAHRRDVISR-UHFFFAOYSA-N 423.450 3.032 0 40 HGAB CN(C)[C@@H](CNC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1)c1ccco1 33024258 PMKITWPSEALRFT-INIZCTEOSA-N 419.528 3.175 0 40 HGAB COC(=O)[C@H](NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc(Cl)cc1F)C(C)C 36585105 JTLHSIAIPABSJO-WBVHZDCISA-N 408.861 3.057 0 40 HGAB O=C(/C=C/c1ccc2c(c1)OCO2)Nc1ccc(Cl)c(N2CCCS2(=O)=O)c1 38677601 IWMPFYQFCPKQJN-XVNBXDOJSA-N 420.874 3.261 0 40 HGAB COc1cc(-c2nnc(COC(=O)Cc3ccccc3F)o2)cc(OC)c1OC 39589027 SGIZTUJELHALMO-UHFFFAOYSA-N 402.378 3.187 0 40 HGAB C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)Nc2cccc(C(F)(F)F)c2)CC1 40096063 TUEVVKYGHKCQLZ-HNNXBMFYSA-N 412.456 3.256 0 40 HGAB O=C(c1cnn2c(-c3ccccc3)ccnc12)N1CCN(c2ccc(F)cc2)CC1 40143242 JOPAVQHRDDDGFN-UHFFFAOYSA-N 401.445 3.498 0 40 HGAB O=S(=O)(Nc1cccc(OCCn2cncn2)c1)c1cccc(C(F)(F)F)c1 40150886 QXBHMINPCHKRNU-UHFFFAOYSA-N 412.393 3.177 0 40 HGAB CCc1nc(NC(=O)Cn2cnc3ccc(Br)cc3c2=O)sc1C 42129787 DIKCQFFXNYQTDF-UHFFFAOYSA-N 407.293 3.125 0 40 HGAB O=C(/C=C/c1ccc2c(c1)OCO2)NCC1CCN(C(=O)Oc2ccccc2)CC1 43983576 GFNHKIDLBQHMPY-VQHVLOKHSA-N 408.454 3.456 0 40 HGAB Cc1nn(-c2ccc(F)cc2)c(Cl)c1CN[C@@H]1CCCc2c1cnn2CCO 48314610 HSPITQPGFHFNQR-GOSISDBHSA-N 403.889 3.329 0 40 HGAB CSc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)cc1 52410921 IIRGHPWQKCTZCU-CQSZACIVSA-N 406.529 3.118 0 40 HGAB CC(C)(C)OC(=O)N(C(=O)OCc1ccccc1Cl)[C@H](CCCN)C(=O)O 56956126 FQALJANQJKUDPI-CQSZACIVSA-N 400.859 3.406 0 40 HGAB COc1cc(Cl)c(C)cc1NCC(=O)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1 57653109 OPOSPTJJAZIKPN-MRXNPFEDSA-N 422.934 3.289 0 40 HGAB Cc1ccc(CN([C@@H]2CCc3ccccc32)S(=O)(=O)c2cc(C(N)=O)n(C)c2)cc1 58004736 ZBTVFGZKJNAIGE-OAQYLSRUSA-N 423.538 3.311 0 40 HGAB COc1ccc(NC(=O)CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c(OC)c1 58169758 ZFJYVMRMFPJUES-UHFFFAOYSA-N 423.435 3.483 0 40 HGAB C[C@H](NC(=O)CN1CC[C@H](OCc2ccccn2)C1)c1ccc(Br)cc1 84651511 XLSVBPMETYPGAH-KXBFYZLASA-N 418.335 3.312 0 40 HGAB COC(=O)C1CCN(CCCNC(=O)[C@H](C)c2ccc(Br)s2)CC1 95403453 GVZFGRRKMBNIFS-GFCCVEGCSA-N 417.369 3.005 0 40 HGAB COc1ccc(C(=O)Nc2ccc(C(=O)NCC(=O)O)cc2)cc1-c1ccccc1 95424995 RPYJQKADKDTZOR-UHFFFAOYSA-N 404.422 3.429 0 40 HGAB CN(C)CCNC(=O)C[C@@H]1CC2(CCN(Cc3ccccn3)CC2)c2ccccc21 96052877 SKFPGIDPFKKYHM-HXUWFJFHSA-N 406.574 3.171 0 40 HGAB COc1cccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccc(O)cc4)[C@@H]3C2=O)c1 100947397 BQIMYQISQAQYDN-BDTNDASRSA-N 416.433 3.452 0 40 HGAB CCOC(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(Cl)cc1 113892922 FCUNKIQDFBVFTJ-UHFFFAOYSA-N 413.879 3.116 0 40 HGAB O=C(Nc1ccccc1-c1csc(-c2ccccc2F)n1)c1cc(=O)[nH]c(=O)[nH]1 208011732 KGZBWLVWBVETMH-UHFFFAOYSA-N 408.414 3.245 0 40 HGAB COc1ccc(N([C@H](C)C(=O)Nc2cccc(SC)c2)S(C)(=O)=O)cc1OC 220233045 YZQWHUOSLCHZAE-CYBMUJFWSA-N 424.544 3.219 0 40 HGAB COCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1Cc1cccnc1 223046153 KXICSNAWCRUTQQ-NHCUHLMSSA-N 407.543 3.335 0 40 HGAB CCSc1nnc(NC(=O)[C@H](C)N(c2ccc(CC)cc2)S(C)(=O)=O)s1 224073897 DSUOKIBZZVDKQL-NSHDSACASA-N 414.578 3.006 0 40 HGAB CSc1ccc(S(=O)(=O)Nc2ccc(N3CCCC3=O)cc2)cc1NC(C)=O 225269896 HOHKUJHSMKMDBA-UHFFFAOYSA-N 419.528 3.295 0 40 HGAB Cc1ccc(C)c(S(=O)(=O)N(CC(=O)NCc2cccnc2)Cc2ccccc2)c1 225936731 OVBHKEQZVRZXBF-UHFFFAOYSA-N 423.538 3.206 0 40 HGAB CC(C)(Oc1nn(-c2ccccc2)cc1Br)C(=O)NC[C@H]1CCCO1 227159335 FPVZGLUDXBOFTG-CQSZACIVSA-N 408.296 3.087 0 40 HGAB O=C1CC2(CCN(C(=O)c3ccc(OC4CCOCC4)nc3)CC2)Oc2ccccc21 244983908 IXDLIEBBAMJIGR-UHFFFAOYSA-N 422.481 3.280 0 40 HGAB Cc1nc(CC2CCN(C(=O)[C@@H]3CCCCN3)CC2)cc(Nc2ncc(C)s2)n1 257272528 NCTBOAOIXLQXRT-SFHVURJKSA-N 414.579 3.217 0 40 HGAB C[C@@H](Oc1ccc(F)cc1)C(=O)N1CCC(c2cncc(Nc3ncccn3)n2)CC1 257307581 SZHMHXOWSPTKGW-OAHLLOKOSA-N 422.464 3.323 0 40 HGAB S=C1N[C@H](c2ccccn2)[C@H](c2cccn2Cc2cccnc2)N1C[C@H]1CCCO1 260922632 QVKPNDCMSOKWDZ-QIJUGHKUSA-N 419.554 3.478 0 40 HGAB COc1ccc(CN2CCC3(CC2)CN(C)Cc2nnc(-c4cccs4)n23)cc1 306124658 BWACFMQVQWEGKY-UHFFFAOYSA-N 409.559 3.452 0 40 HGAB O=C(O)CCSc1nc2ccc(NC(=O)[C@H]3[C@@H](C(=O)O)[C@H]4C=C[C@H]3C4)cc2s1 408751454 ZQDFWSOIIPWPBD-KTCLOZQLSA-N 418.496 3.325 0 40 HGAB CCOc1cccc(/C=C2\SC(=O)N(CC(=O)N(C(C)C)C(C)C)C2=O)c1O 409217556 PZQTXXCMAUEKMP-YBEGLDIGSA-N 406.504 3.473 0 40 HGAB Cc1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1S(=O)(=O)Nc1ccccc1 409410795 QBPKFBUFJATJHS-UHFFFAOYSA-N 424.478 3.455 0 40 HGAB COCC(=O)N[C@H]1[C@H](c2cccs2)N(CCCc2ccccc2)CC[C@@]1(C)O 514289966 RAZSXZRZMIHGRJ-FDFHNCONSA-N 402.560 3.010 0 40 HGAB biogenic,in-vitro CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)Nc1cnn(CC(=O)NC2CCCC2)c1 521234941 HTYGHYAITXLESZ-LSTHTHJFSA-N 404.555 3.358 0 40 HGAB Cc1cc(C)cc(S(=O)(=O)N2CC3(C[C@@H](OCc4cccnc4)CS3)C2)c1 575406649 ZMVFMHJQEGZKBO-GOSISDBHSA-N 404.557 3.164 0 40 HGAB O=C(Cc1ccccn1)N1CCC2(CC1)CN(Cc1ccccc1)C[C@@]21CCOC1 585113451 IZIJXUGNGWMVOB-RUZDIDTESA-N 405.542 3.155 0 40 HGAB NC(=O)C[C@H]1CN(C(=O)c2cc(F)cc(F)c2)CC[C@@H]1Oc1ccc(Cl)cc1 585268697 BYPFJLJBKAITRE-UGSOOPFHSA-N 408.832 3.403 0 40 HGAB COCCC1(C(=O)N[C@H]2CCC[C@@H]2NC(=O)C2(CCOC)CCCC2)CCCC1 683370121 UCJURQPVXRCIKD-OALUTQOASA-N 408.583 3.334 0 40 HGAB CC(C)N1C(=O)c2ccccc2[C@H](C(=O)N(C)C)C12CCN(C(=O)C(C)(C)C)CC2 1549174934 WTFGTBMKHZLQIF-LJQANCHMSA-N 413.562 3.130 0 40 HGAB O=S(=O)(NC[C@H](O)c1ccc(-c2ccco2)s1)c1ccc2c(c1)OCCCO2 1775968813 MBVPPHCVEKQEMQ-AWEZNQCLSA-N 421.496 3.181 0 40 HGAB CC(=O)N[C@]12CCO[C@@H](c3ccc4c(c3)OCCO4)[C@@H]1C[C@H]1C[C@H]2[C@@H](C)NC1(C)C 1848354497 AECNBYWRYOQGKZ-JTBIUQNGSA-N 414.546 3.207 0 40 HGAB Cc1cccc(C(=O)N[C@]2(C(F)(F)F)NC(=O)N(c3ccc(Cl)cc3)C2=O)c1 2192232 HLFBEMNROURKTR-KRWDZBQOSA-N 411.767 3.393 0 40 HGAB Cc1ccc2c(c1)c1ncnc(N3CCN(Cc4ccc5c(c4)OCO5)CC3)c1n2C 2227220 QWNQSLWGNPMFPX-UHFFFAOYSA-N 415.497 3.481 0 40 HGAB CC(C)(C)c1ccc(/C=c2\sc3nc(=O)c(Cc4ccc(F)cc4)nn3c2=O)cc1 2404733 XBGQGHHFLSCSCE-UYRXBGFRSA-N 421.497 3.086 0 40 HGAB COc1ccc([C@@H]2C[C@H](c3ccccc3)n3nc(N4C(=O)CCC4=O)nc3N2)cc1 2418909 MVGUOZHOIAPPOI-ZWKOTPCHSA-N 403.442 3.086 0 40 HGAB CC(=O)Nc1ccc(S(=O)(=O)N2CCN=C2S[C@H](C)c2ccccc2)cc1 2711474 KCBALDUYHWZMOP-CQSZACIVSA-N 403.529 3.500 0 40 HGAB Cc1noc(C)c1S(=O)(=O)N1CCN(c2ccnc3cc(Cl)ccc23)CC1 4365127 SCUDOKYYIOYVIO-UHFFFAOYSA-N 406.895 3.004 0 40 HGAB Cc1ccc(-c2nc3scc(CCNC(=O)C(=O)Nc4cccc(C)c4)n3n2)cc1 4374825 IVDFCTSBJVREBK-UHFFFAOYSA-N 419.510 3.372 0 40 HGAB CCOc1ccccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccccc2CC)C1 4942420 RTHHTJYREUIYDL-QGZVFWFLSA-N 410.470 3.183 0 40 HGAB CCn1c(SCC(=O)NCc2cc3ccccc3n2C)nnc1-c1ccncc1 4973448 BGERGBVLSHWFPE-UHFFFAOYSA-N 406.515 3.260 0 40 HGAB COc1ccccc1/C=C\C(=O)N1CCC2(CC1)C(=O)N(C)CN2c1ccccc1 5010819 PVROZNLUPRWLFT-SEYXRHQNSA-N 405.498 3.006 0 40 HGAB COc1ccc(CN(C)S(=O)(=O)c2cccc(Br)c2)c(OC)c1 5120307 PKOYJTSOUGFUPT-UHFFFAOYSA-N 400.294 3.287 0 40 HGAB COc1ccc(C=O)cc1OCC(=O)Nc1ccc(I)cc1 5293647 PWAHPSSWCPZQAL-UHFFFAOYSA-N 411.195 3.130 0 40 HGAB O=C(O)c1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3ON2c2ccccc2)cc1 5501519 WDMCEWNAISSDKL-NJDAHSKKSA-N 414.417 3.436 0 40 HGAB COc1ccccc1CNC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)cc1 5975306 GRPKSFKQAVYUAV-IRXDYDNUSA-N 416.543 3.292 0 40 HGAB Cc1ccc(C)c(C(=O)[C@@H](C)OC(=O)c2cc(S(=O)(=O)N(C)C)ccc2F)c1 6436434 FORQMMJOYJCEPA-CQSZACIVSA-N 407.463 3.121 0 40 HGAB CC1(C)CC(NC(=O)COc2ccc3c4c(c(=O)oc3c2)CCCC4)CC(C)(C)N1 6658694 UGCGSYBGWOSKTF-UHFFFAOYSA-N 412.530 3.476 0 40 HGAB COc1ccc(C(=O)NCc2ccco2)cc1S(=O)(=O)N(C)Cc1ccccc1 6946471 QFVUENORVLAPGW-UHFFFAOYSA-N 414.483 3.039 0 40 HGAB CN(CC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1)c1ccc2ccccc2c1 7211818 OMYULJLIFGFTMM-NRFANRHFSA-N 400.544 3.234 0 40 HGAB CN(Cc1ccc2c(c1)OCCO2)C(=O)CSc1nnc(C2CC2)n1C1CC1 7550900 CTSIOXQDTDCSHG-UHFFFAOYSA-N 400.504 3.012 0 40 HGAB CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(F)cc3)CC2)c1 7638813 LZDCJYGWMHMIIG-UHFFFAOYSA-N 404.463 3.068 0 40 HGAB O=C(NCCSCc1ccccc1)c1ccc(S(=O)(=O)N2CCCC2)cc1 7642574 QIFBBFNHJRXKTO-UHFFFAOYSA-N 404.557 3.134 0 40 HGAB COC(=O)c1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)cc1 7814288 KLPAJPBYZQTQGB-UHFFFAOYSA-N 416.499 3.146 0 40 HGAB Cc1cccc(N2C[C@H](C(=O)Oc3cccc(N4C(=O)CCCC4=O)c3)CC2=O)c1C 7928569 CMTPEBGAWAOFIA-QGZVFWFLSA-N 420.465 3.305 0 40 HGAB NC(=O)C1CCN(CCOc2ccc(-c3[nH]ncc3-c3ccccc3)c(O)c2)CC1 8996415 PYIQTHALSLWYHD-UHFFFAOYSA-N 406.486 3.025 0 40 HGAB COc1ccc(S(=O)(=O)[C@H](CNC(=O)CCc2ccccc2)c2cccnc2)cc1 9006546 RPKYHEGPLNNSFL-JOCHJYFZSA-N 424.522 3.354 0 40 HGAB O=C1O[C@H](N2C(=O)CC[C@H]2C(=O)Nc2cccc(Br)c2)c2ccccc21 9034020 QIKOPFVPNXXYQU-YJBOKZPZSA-N 415.243 3.248 0 40 HGAB biogenic COc1ccc([C@@H]2Nn3c(C)nnc3S[C@H]2C(=O)N2CCCCCC2)cc1Cl 9238639 UGCLOMRSUCRECM-DLBZAZTESA-N 421.954 3.410 0 40 HGAB CCOc1ccc2nc(SCC(=O)Nc3sc4c(c3C(N)=O)CCC4)[nH]c2c1 9338179 UJOKWHNJYVWNLZ-UHFFFAOYSA-N 416.528 3.342 0 40 HGAB CCn1c(SCC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)nnc1-c1ccncc1 9478544 LFXRYKHSXGNHRC-AWEZNQCLSA-N 422.514 3.216 0 40 HGAB Cc1ccc(NC(=O)Nc2nc(CC(=O)Nc3ccccc3C(N)=O)cs2)cc1 9784820 KQWSOWCUJWJAAW-UHFFFAOYSA-N 409.471 3.376 0 40 HGAB CC(=O)c1ccc(N2CCN(C(=O)CN(C)[C@@H](C)c3cccs3)CC2)c(F)c1 10057002 WERHZYXIMFGBLH-HNNXBMFYSA-N 403.523 3.431 0 40 HGAB CC(=O)Nc1ccc(-c2csc(NC(=O)Cc3c(C)nn(C)c3C)n2)c(F)c1 11053798 OPBHHJNGPQJXCN-UHFFFAOYSA-N 401.467 3.439 0 40 HGAB CCn1cc(C(=O)NCCc2c[nH]c3ccc(OC)cc23)c(=O)c2ccc(C)nc21 12408035 QNOBQQKNSJQYSY-UHFFFAOYSA-N 404.470 3.187 0 40 HGAB CCC(C)(C)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 12735165 ZMZLKWFPGOJSDC-ZDUSSCGKSA-N 417.369 3.155 0 40 HGAB NC(=O)NC(=O)[C@@H](Sc1nnc(Cc2cccs2)n1C1CC1)c1ccccc1 12778906 PXMXBSJAVPDNBK-INIZCTEOSA-N 413.528 3.294 0 40 HGAB CCN(Cc1ccc(Br)s1)C(=O)c1ccc(S(=O)(=O)NC)cc1 12982031 SHALRUKMDTYQJG-UHFFFAOYSA-N 417.350 3.081 0 40 HGAB CCOc1cc2c(cc1NS(=O)(=O)c1ccc(CCC(=O)O)cc1)O[C@@H](C)C2 13256357 HSYXGNBJUDMOQN-ZDUSSCGKSA-N 405.472 3.227 0 40 HGAB CCOC(=O)c1ccc(C)c(NC(=O)[C@H](C)N(c2ccc(C)cc2)S(C)(=O)=O)c1 13669750 CFXXACBEXHTXTF-INIZCTEOSA-N 418.515 3.273 0 40 HGAB COc1ccc(OC)c(NC(=O)[C@@H]2C[C@@H](C(C)C)N[C@@]23C(=O)Nc2ccc(C)cc23)c1 15972748 GDXJQZFJTRLPIA-WVMBUTMQSA-N 423.513 3.432 0 40 HGAB Cc1ccc(S(=O)(=O)N2C[C@H]3C[C@H](NC(=O)c4cc(C)c(C)s4)[C@H]3C2)cc1 19211798 YSVUENIKNDHIMY-NJAFHUGGSA-N 404.557 3.112 0 40 HGAB Cc1sc2ncn(CC3(O)CCN(Cc4ccc(F)c(F)c4)CC3)c(=O)c2c1C 19561529 UZZJNBYZXKBNPC-UHFFFAOYSA-N 419.497 3.380 0 40 HGAB COc1cc(OC)cc(C(=O)N2CCN(Cc3ccccc3Br)CC2)c1 19595044 PGCULBLNVHIVRR-UHFFFAOYSA-N 419.319 3.424 0 40 HGAB CNc1cc([C@H]2CC(=O)N(Cc3ccccc3)C2)nc(CN(C)C(=O)CC(C)(C)C)n1 19700934 IBGDOVXMEXMXAV-SFHVURJKSA-N 423.561 3.429 0 40 HGAB CNc1cc(C(=O)N2CCC[C@H](c3nc(C)c4c(n3)N(CC3CC3)CCC4)C2)ccn1 19707004 OBBPFIKRYAFLOK-IBGZPJMESA-N 420.561 3.404 0 40 HGAB CCOC(=O)[C@H]1C(=O)N(CCCOC)c2nc3ccccc3n2[C@H]1c1cccc(C)c1 19818387 YPHMUBASGGCFLM-RTWAWAEBSA-N 421.497 3.497 0 40 HGAB COc1ccc([C@@H](C)NC(=O)C2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1 20458664 IEUORSYTFJTRCH-QGZVFWFLSA-N 416.543 3.114 0 40 HGAB CCOC(=O)N1CCN(c2nc(C)c3c(n2)C[C@@H](c2ccc(C)cc2)CC3=O)CC1 20671339 JBISMKONVNHPNX-GOSISDBHSA-N 408.502 3.285 0 40 HGAB CC[C@H](C(=O)N[C@@H](C)c1ccc(OC)cc1)N(c1ccc(F)cc1)S(C)(=O)=O 22510034 CUIXJJLLBXAQRX-IFXJQAMLSA-N 408.495 3.256 0 40 HGAB COc1cc(C(C)=O)ccc1OCC(=O)N1CCN(Cc2ccc(Cl)s2)CC1 23640158 MQKUFGFZKVZMNM-UHFFFAOYSA-N 422.934 3.336 0 40 HGAB CCc1ccc(S(=O)(=O)NC[C@@H](c2ccccc2Cl)N2CCOCC2)cc1 24681539 PRUPOENLGGFLNN-FQEVSTJZSA-N 408.951 3.254 0 40 HGAB COC(=O)C1=C(C)N(c2ccc3c(c2)OCCO3)C(=S)N[C@@H]1c1ccccc1F 24969723 ZHTKFIBFESEPSQ-LJQANCHMSA-N 414.458 3.480 0 40 HGAB C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N1CCC(c2nc3ccccc3o2)CC1 25049845 LGVAATYSXZBGLQ-CYBMUJFWSA-N 405.458 3.204 0 40 HGAB Cc1ccc(S(=O)(=O)Nc2cc(C(N)=O)ccc2Cl)c(Br)c1 26541500 YNLXJCBGNUSIDK-UHFFFAOYSA-N 403.685 3.311 0 40 HGAB COc1ccccc1C(=O)Nc1nc(-c2ccc(S(=O)(=O)N(C)C)cc2)cs1 27023613 FPVYPUOKSHUJRQ-UHFFFAOYSA-N 417.512 3.321 0 40 HGAB CCN1C[C@H](CN(C)CCS(=O)(=O)c2ccc(Cl)cc2)Oc2ccccc21 27543688 ZJFKFUGLXNRHOD-KRWDZBQOSA-N 408.951 3.333 0 40 HGAB Cc1cccc(N2CCN(CCCCNS(=O)(=O)c3ccccc3F)CC2)c1 30361156 FEMKVEJWWRVXNM-UHFFFAOYSA-N 405.539 3.015 0 40 HGAB COc1ccc(NC(=O)[C@H]2CC(=O)Nc3c(-c4ccc(F)cc4)cnn32)cc1OC 32072381 XPBVGWMJKZXYPJ-MRXNPFEDSA-N 410.405 3.228 0 40 HGAB O=C(Nc1cccc(Br)c1)C1=C(c2ccccc2)S(=O)(=O)CCO1 32105604 QXJJQZTYJGPBFR-UHFFFAOYSA-N 408.273 3.201 0 40 HGAB CCC(CC)[C@H](NS(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccccc1 32916478 CJLXADXBSVUVIK-FQEVSTJZSA-N 424.588 3.393 0 40 HGAB CCOC(=O)[C@@H]1CSCCN1C(=O)c1nc(-c2ccccc2)n2c1CCCCC2 33016125 VNAQKJPAJSPWSP-SFHVURJKSA-N 413.543 3.397 0 40 HGAB Cc1ccc(CNC(=O)c2cc(-c3cccs3)n([C@@H]3CCS(=O)(=O)C3)n2)cc1 33325345 FYHOHGNJXBAGJU-MRXNPFEDSA-N 415.540 3.210 0 40 HGAB CCc1ccc2c(c1)c1nnc(SCC(=O)NCc3ccccc3OC)nc1n2C 35312659 LNUGZGUSWSSUCX-UHFFFAOYSA-N 421.526 3.496 0 40 HGAB CCc1nnc2c(SCC(=O)Nc3ccc(C(=O)OC)cc3)nc3ccccc3n12 35426709 BBLUGOCRSILRCQ-UHFFFAOYSA-N 421.482 3.357 0 40 HGAB Cc1ccc(C)c(Oc2ccc(CNC(=O)CNC(=O)COc3ccccc3)cn2)c1 36390806 RLSASOPZSWLASV-UHFFFAOYSA-N 419.481 3.302 0 40 HGAB CCCc1nnc(S)n1CC(=O)NCc1ccccc1CN1CCC[C@@H](C)C1 36391249 CAWLQCNYQPQYCC-MRXNPFEDSA-N 401.580 3.068 0 40 HGAB CCc1cccc2c(/C=C3\NC(=S)N(C)C3=O)cn(CC(=O)N3CCCC[C@@H]3C)c12 39556564 HCJOGPXDOYMZLG-CCRNYGKSSA-N 424.570 3.292 0 40 HGAB Cc1ccc(-n2nc(C)c(CC(=O)NCCc3nnc4ccccn34)c2C)cc1Cl 40131459 DKGGAJKXEWEELA-UHFFFAOYSA-N 422.920 3.395 0 40 HGAB CC(C)Cn1c(=O)c2ccccc2n(CC(=O)Nc2cc(F)ccc2Cl)c1=O 40478632 IYDMBRGMGJBZOJ-UHFFFAOYSA-N 403.841 3.250 0 40 HGAB O=C(Cn1nc(N2CCSCC2)c2ccccc2c1=O)Nc1cccc(Cl)c1 49007230 SDLHSMHLBFWRPV-UHFFFAOYSA-N 414.918 3.242 0 40 HGAB O=C(NC1CC1)c1ccc(N2CC[C@@H](NCc3ccc(C(F)(F)F)cc3)C2)nc1 49420993 RLKXCVGNQKBMRI-GOSISDBHSA-N 404.436 3.361 0 40 HGAB CCCCN(CC)C(=O)Cn1c(=O)n(-c2ccc(F)cc2C)c(=O)c2sccc21 57493343 GDIBASFGOZXVJQ-UHFFFAOYSA-N 417.506 3.310 0 40 HGAB Cc1cc(C)c2[nH]c(=O)c(CN(Cc3nnnn3C(C)(C)C)C[C@H]3CCCO3)cc2c1 57607406 ISQLDRWBEIZCEQ-LJQANCHMSA-N 424.549 3.068 0 40 HGAB COC(=O)c1sc2nc(C)nc(N3CCN(c4ncccc4Cl)CC3)c2c1C 58158448 KWFZVTXCEHVOLI-UHFFFAOYSA-N 417.922 3.470 0 40 HGAB C[C@@H](COCC(F)(F)F)NC(=O)[C@@]12CCC(=O)N1c1cc(Cl)ccc1S2 63705683 KNFSTNWCRKMBCQ-VFZGTOFNSA-N 408.829 3.352 0 40 HGAB COc1ccc(NC(=O)Cn2cnc3c(-c4cccc(OC)c4)cn(C)c3c2=O)cc1 67235511 QCVKVEKRXSKPNJ-UHFFFAOYSA-N 418.453 3.058 0 40 HGAB Cc1ccc(-c2noc(CCC(=O)N3CCC[C@H]3C(=O)OC(C)(C)C)n2)cc1F 79016101 IZNQCDFGPZDMMR-INIZCTEOSA-N 403.454 3.449 0 40 HGAB O=C(CSc1cccc[n+]1[O-])N(Cc1ccccc1)C[C@@H](O)c1ccsc1 79094185 WIWIPGVVWJLQML-GOSISDBHSA-N 400.525 3.236 0 40 HGAB C[C@H]1CN(Cc2csc(NC(=O)c3cccc(Br)n3)n2)C[C@H](C)O1 89936714 TZPJOCNRPWAGMD-QWRGUYRKSA-N 411.325 3.162 0 40 HGAB O=C(NCc1cc(F)ccc1Br)c1ccc2c(=O)[nH]c(S)nc2c1 95365204 KMYGBVRXIHGFQV-UHFFFAOYSA-N 408.252 3.043 0 40 HGAB O=C(Nc1ccc(F)cc1)N1CCN(CC(=O)N2CCSc3ccccc32)CC1 95435046 OAYVBZKXLCSHPG-UHFFFAOYSA-N 414.506 3.114 0 40 HGAB O=C(Cn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)NCc1ccco1 96115233 ZRHRIXHXRVDADO-UHFFFAOYSA-N 424.460 3.484 0 40 HGAB biogenic N[C@@H](C(=O)NC[C@H]1CC[C@H](c2ccnc(Nc3ncccn3)n2)CC1)c1ccccc1 100708856 NMJOVTIISUQYDJ-FUHIMQAGSA-N 417.517 3.100 0 40 HGAB Cc1nc(SCC(=O)N2CCC(C(N)=O)CC2)n([C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c1C 104814677 RCIJVJASQCQXMH-PBWTXFEYSA-N 418.607 3.313 0 40 HGAB Cc1cc(C)cc(NC(=O)CCCN(c2ccc3c(c2)OCO3)S(C)(=O)=O)c1 113943557 MQFDPGRIVFYPJQ-UHFFFAOYSA-N 404.488 3.217 0 40 HGAB CC[C@@H](NC(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C)c1ccc(C)cc1C 219244659 KBPIZAAICGOJTH-LJQANCHMSA-N 421.538 3.323 0 40 HGAB COCCNC(=O)c1ccccc1NS(=O)(=O)c1ccc2cc(OC)ccc2c1 223315639 QQASATJIBDSQPK-UHFFFAOYSA-N 414.483 3.025 0 40 HGAB O=C(O)c1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCCO)o2)cc1 223631655 MTXANBLRWVXZCW-UXHICEINSA-N 423.494 3.395 0 40 HGAB Cc1ccc(N([C@@H](C)C(=O)NCCOc2ccccc2C(C)C)S(C)(=O)=O)cc1 223765258 MZPZHQKKLAWFGE-SFHVURJKSA-N 418.559 3.468 0 40 HGAB CCc1ccc(CC)c(CNC(=O)[C@@H]2CN(S(=O)(=O)CC)c3ccccc3O2)c1 224628007 RZWCQCFKKMIEPN-NRFANRHFSA-N 416.543 3.045 0 40 HGAB COc1cccc(N2CCN(C3CCN(C[C@H]4COc5ccccc5O4)CC3)CC2)c1 252492659 MRSRAUYUHDOUKR-QHCPKHFHSA-N 423.557 3.122 0 40 HGAB O=C(c1ccc(-n2cccn2)nc1)N1CCOC[C@@H](Cc2ccc3ccncc3c2)C1 257257440 KPOKFANJLAPLIM-IBGZPJMESA-N 413.481 3.147 0 40 HGAB COc1cccc2c1OC(C)(C)[C@@H]1C[C@H]3CN(C(=O)CCCC(=O)O)CC[C@H]3O[C@@H]21 257343603 ZTRAZQAZLKTFDC-OHKKWDFDSA-N 417.502 3.416 0 40 HGAB CN([C@H](C(=O)Nc1ccc(Br)cc1F)c1ccccc1)S(C)(=O)=O 260812998 OCZOGZNOJZKVNC-HNNXBMFYSA-N 415.284 3.159 0 40 HGAB Cc1cc(C)cc(N(CC(=O)N[C@H](C)c2ccc3c(c2)CCC3)S(C)(=O)=O)c1 260937052 OQRBCRQNTBOHPL-QGZVFWFLSA-N 400.544 3.436 0 40 HGAB Cn1nccc1[C@@H]1CN(Cc2cccs2)C[C@]12CCCN(Cc1cccnc1)C2=O 306126110 DNCIVUHKCKJDPN-NZQKXSOJSA-N 421.570 3.285 0 40 HGAB COc1ccc(-c2nnc(CN(C)C(=O)COc3ccc(C)cc3C)o2)cc1OC 408714307 NVWYNCDPQVITCR-UHFFFAOYSA-N 411.458 3.408 0 40 HGAB O=C1[C@H]2[C@H]3C[C@H]4[C@@H]2[C@]2(C(=O)Nc5cccc(C(=O)N6CCc7ccccc76)c5)[C@H]1[C@H]3[C@@H]42 503490036 UZGKUMSDLASOMZ-BXZWPPIYSA-N 410.473 3.155 0 40 HGAB CC(=O)c1c[nH]c(C(=O)NCc2ccc([C@@H](C)NC(=O)c3cc(C(C)=O)c[nH]3)cc2)c1 542423683 MVKAADYDNCHISR-CYBMUJFWSA-N 420.469 3.169 0 40 HGAB O=C(c1c(-n2cnnn2)sc2c1CCC2)N1CCC[C@@H]1c1nc2ccccc2[nH]1 583652541 CCAXGXADSOWANO-OAHLLOKOSA-N 405.487 3.066 0 40 HGAB Cc1ccc(CC(=O)N2C[C@@]3(CCCN(CC4CC4)C3=O)C[C@@H]2c2cn(C)cn2)cc1 585106491 VZEWFIMWZYXMHE-RCZVLFRGSA-N 420.557 3.263 0 40 HGAB Cc1sc2nc(CS[C@@H](C)C(=O)NCCN3CCC[C@@H](C)C3)nc(O)c2c1C 603756130 CZVZHFVNJVONRS-DOMZBBRYSA-N 422.620 3.484 0 40 HGAB O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]12)NCCOc1ccc2ccccc2c1 1543520762 IDFIBLKLCXOTRY-IRFCIJBXSA-N 413.543 3.061 0 40 HGAB COC(=O)c1c(NC(=O)c2ccc(Br)o2)sc(C(=O)N(C)C)c1C 689124 HWNNJUFJXPNUSG-UHFFFAOYSA-N 415.265 3.153 0 40 HGAB O=C(COc1ccc(S(=O)(=O)NCc2ccccc2)cc1Cl)N1CCCCC1 810325 OATWTIHOFLHUCT-UHFFFAOYSA-N 422.934 3.210 0 40 HGAB COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)CCN1CCN(c2ccccc2)CC1 2280005 ZXRFJVDLJPFUEW-UHFFFAOYSA-N 420.513 3.414 0 40 HGAB CCNC(=O)CSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CCC3 2628855 GFSRCGOHNQKZRF-UHFFFAOYSA-N 413.568 3.418 0 40 HGAB CN(C)c1ccc(C(=S)N2CCN(C(=S)c3ccc4c(c3)OCO4)CC2)cc1 2700475 RZMFGUDSZPKQSH-UHFFFAOYSA-N 413.568 3.150 0 40 HGAB CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)OCC(=O)Nc1ncc(Cl)cc1Cl 3222087 XKCGSTLHZYPMBH-MRXNPFEDSA-N 424.284 3.325 0 40 HGAB Cc1ccc(NC(=O)CN(C)C(=O)CSc2nnc(C)n2Cc2ccccc2)cc1 3332968 ITEJBBQMEKVMDT-UHFFFAOYSA-N 423.542 3.132 0 40 HGAB COc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nncs2)cc1OC 3655690 WUMXGGPYBFFORL-QGZVFWFLSA-N 421.434 3.412 0 40 HGAB Cc1cc(C)c(NC(=O)[C@H](C)OC(=O)c2ccccc2NS(C)(=O)=O)c(C)c1 4486726 QWDDNWSITVQASH-HNNXBMFYSA-N 404.488 3.167 0 40 HGAB O=C1Nc2ccc(S(=O)(=O)N3CCN(c4ccccc4F)CC3)c3cccc1c23 4661729 NRLAUIDZVABFGG-UHFFFAOYSA-N 411.458 3.056 0 40 HGAB CCOC(=O)N1CCC(NC(=O)[C@H](NC(=O)C2CCC(C)CC2)[C@@H](C)CC)CC1 4778579 JWIYPYDSXPJGNL-FLAMNCDFSA-N 409.571 3.081 0 40 HGAB COc1ccc2c(COC(=O)c3ccc(CN4CCCC4=O)cc3)cc(=O)oc2c1 5089177 PBARREQVYFWJER-UHFFFAOYSA-N 407.422 3.281 0 40 HGAB COc1ccc(C)cc1NC(=O)CSc1nnc(-c2ccccc2Cl)n1N 5257346 MOUCNCHXCULHAL-UHFFFAOYSA-N 403.895 3.360 0 40 HGAB CCOC(=O)C1CCN(C(=O)c2cn3cc(C(F)(F)F)cc(Cl)c3n2)CC1 5285419 CCFGQLAUBPRSRO-UHFFFAOYSA-N 403.788 3.422 0 40 HGAB Cc1ccc(C(=O)[C@@H](C)OC(=O)c2cc(S(=O)(=O)N(C)C)ccc2F)cc1C 6436443 UOSMZNPFXSEHNF-CQSZACIVSA-N 407.463 3.121 0 40 HGAB CCCCCNC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(OC)c1 6597073 ZYKWIJPXUDRREK-UHFFFAOYSA-N 420.531 3.206 0 40 HGAB O=C(COC(=O)COc1ccc(Cl)cc1Br)NC1CCCCC1 6861785 BUOFTFKEEMTAST-UHFFFAOYSA-N 404.688 3.473 0 40 HGAB O=c1cc(CSc2nnc3[nH]c4ccccc4n23)nc2sc3c(n12)CCCC3 6983090 YOZMSJZOCQBSDI-UHFFFAOYSA-N 408.512 3.451 0 40 HGAB Cc1cnc(C(=O)OCC(=O)N(C)[C@]2(c3ccccc3Cl)CCCCC2=O)cn1 7253715 JABJMMAUPCITNZ-NRFANRHFSA-N 415.877 3.092 0 40 HGAB C[C@H](NC(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)c1cc2ccccc2o1 7278937 JPZPMTQKWOYGOX-LFVRLGFBSA-N 403.438 3.004 0 40 HGAB O=C(Nc1ccc(F)c(Cl)c1)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 8035598 WTYHNRTZCSVMDU-CQSZACIVSA-N 412.870 3.189 0 40 HGAB COc1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccc(Cl)cc2)c(OC)c1 8414730 NOESBSKXQVKKKK-UHFFFAOYSA-N 420.849 3.258 0 40 HGAB Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)c3ccc(-n4cccc4)cc3)CC2)c1 8723415 NOXPAKYCFIGWJS-UHFFFAOYSA-N 423.538 3.241 0 40 HGAB O=C(c1cc(-c2cccs2)nn1-c1ccccc1)N1CCN(C(=O)C2CC2)CC1 8940959 RJZOWTBHANENSY-UHFFFAOYSA-N 406.511 3.295 0 40 HGAB CCCCOC(=O)c1ccc(NC(=O)c2nn(-c3ccc(OC)cc3)ccc2=O)cc1 9205617 RXWVPXDNPNCYKV-UHFFFAOYSA-N 421.453 3.450 0 40 HGAB O=C1NC2(CCCCCC2)C(=O)N1CC(=O)N1CCS[C@H]1c1ccccc1F 9495549 DYRRRHGURHZGLL-KRWDZBQOSA-N 405.495 3.045 0 40 HGAB COc1ccc(-c2nc(COC(=O)CCn3c(C)csc3=O)cs2)cc1OC 9684582 JLOWICUHJCOUBP-UHFFFAOYSA-N 420.512 3.492 0 40 HGAB CCN1CCOc2ccc(NS(=O)(=O)c3ccc4c(c3)CCCC4)cc2C1=O 9828213 MIVQUBFAKMJKKN-UHFFFAOYSA-N 400.500 3.221 0 40 HGAB O=C(NCc1ccc2c(c1)OCO2)c1ccccc1NS(=O)(=O)c1cccs1 9911777 NQWJDGMLWDQWCX-UHFFFAOYSA-N 416.480 3.208 0 40 HGAB Cc1cccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(Br)cc2)c1C 10041307 IOIGGSYSDXWOLL-ZDUSSCGKSA-N 411.321 3.371 0 40 HGAB COc1cc(OC)c(NC(=O)COC(=O)c2ccc(NC(C)=O)cc2)cc1Cl 10250657 FHQQILNIJXMHOA-UHFFFAOYSA-N 406.822 3.111 0 40 HGAB CCOc1cc(C(=O)N2c3ccccc3C[C@H]2C(=O)NC)cc(OCC)c1OCC 10255873 IGQMWSKKIWMDSO-SFHVURJKSA-N 412.486 3.200 0 40 HGAB O=C(CN1C(=O)COc2ccccc21)Nc1ccc2nc(N3CCCC3)sc2c1 10985375 OQJDGWNZIMOMHB-UHFFFAOYSA-N 408.483 3.261 0 40 HGAB CC(=O)N1Cc2ccccc2O[C@@]2(CCCN(C(=O)CCCn3nc(C)cc3C)C2)C1 12087161 QUGVQTFOHJKTPR-XMMPIXPASA-N 424.545 3.082 0 40 HGAB CCc1c(C)sc2ncn(C3CCN(C(=O)c4n[nH]c5c4CCC5)CC3)c(=O)c12 12116281 CDBCPUWMXHVWTQ-UHFFFAOYSA-N 411.531 3.018 0 40 HGAB COc1cccc([C@H]2CN(S(=O)(=O)c3ccc(C)cc3)C[C@@H]2c2csnn2)c1 12163052 GXPXATJDFGYAKP-MOPGFXCFSA-N 415.540 3.427 0 40 HGAB O=C(N[C@]1(C(F)(F)F)NC(=O)N(c2ccccc2F)C1=O)c1ccccc1Cl 12375344 RHAWPMSMAOKCGE-INIZCTEOSA-N 415.730 3.224 0 40 HGAB Cc1cccc(-c2nnc(S)n2CCC(=O)N[C@H]2CCN(Cc3ccccc3)C2)c1 12552190 IFIWICDSUFFTDH-FQEVSTJZSA-N 421.570 3.323 0 40 HGAB COc1ccccc1NC(=O)c1ccc(N[C@H](C(=O)NC(N)=O)c2ccccc2)cc1 12554271 MPRCQKHDWHXDQY-FQEVSTJZSA-N 418.453 3.296 0 40 HGAB O=C(CCCc1ccc(Br)s1)NCc1ccc(N2CCOCC2)nc1 12769432 AEJVUEQQOUZLKO-UHFFFAOYSA-N 424.364 3.381 0 40 HGAB Cc1cc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccccc2F)ccc1Br 12776059 AJOBXRCREDRYQP-LLVKDONJSA-N 415.284 3.202 0 40 HGAB COc1ccccc1CN(C)CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1 12780695 SUEDCJDBVWUPSJ-UHFFFAOYSA-N 419.407 3.365 0 40 HGAB NS(=O)(=O)c1cc(C(=O)N2CCC(c3nc4ccccc4o3)CC2)ccc1Cl 12786117 IUPLYXJMTASXIJ-UHFFFAOYSA-N 419.890 3.148 0 40 HGAB CC(=O)N1c2ccc(S(=O)(=O)N[C@@H]3CCSc4ccccc43)cc2C[C@H]1C 12969887 PWDGKTWEYSQSPA-FZKQIMNGSA-N 402.541 3.500 0 40 HGAB COc1ccc(Cl)cc1-c1n[nH]c(SCC(=O)Nc2sccc2C(N)=O)n1 14068114 VQLNKOPCVCLVTH-UHFFFAOYSA-N 423.907 3.025 0 40 HGAB COCCCN1C(=O)c2ccc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2C1=O 14254656 BNZJYPMZUMEFQN-UHFFFAOYSA-N 422.359 3.470 0 40 HGAB O=C(Nn1cnnc1)c1cccc(NC(=O)c2ccccc2C(=O)c2ccccc2)c1 14405895 JSKHJSSNKOTRQT-UHFFFAOYSA-N 411.421 3.145 0 40 HGAB COc1ccc(C2=NO[C@@H]3[C@H]4C[C@@H]([C@H]23)[C@H]2C(=O)N(c3c(C)cccc3C)C(=O)[C@H]42)cc1 14945191 DEBBZXPRNSMGBS-ZSJURYQCSA-N 416.477 3.487 0 40 HGAB Cc1ccccc1Nc1nc(N)nc(CN2C(=O)N[C@]3(C[C@H](C)CC(C)(C)C3)C2=O)n1 16097252 WKCYMKDNCMIOMG-DMZKTXOQSA-N 423.521 3.143 0 40 HGAB O=c1[nH]nc(SCc2nc(-c3ccc(F)cc3)no2)n2nc(-c3ccco3)cc12 16844185 ATTOJMQUIFFKCD-UHFFFAOYSA-N 410.390 3.159 0 40 HGAB COC(=O)c1[nH]c2ccc(C)cc2c1NS(=O)(=O)c1ccc(OC)cc1OC 18159314 ZVSXMQLPYRZTLB-UHFFFAOYSA-N 404.444 3.081 0 40 HGAB COc1ccc(CC(=O)N2CCC[C@@H]2c2n[nH]cc2-c2ccnc(N(C)C)n2)cc1C 19571115 CBQQHRCCDBPWQT-LJQANCHMSA-N 420.517 3.156 0 40 HGAB Cc1n[nH]c(C)c1CCc1cc(O)nc(NC2CCN(Cc3ccccc3)CC2)n1 19579002 BKHDJELFSCUCQI-UHFFFAOYSA-N 406.534 3.384 0 40 HGAB CNC(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CCN(C(=O)c2cccc(OC)c2)C1 19703481 RCVHJBJGTARDHR-XMMPIXPASA-N 419.481 3.171 0 40 HGAB COCC(=O)N1CCCC[C@H]1c1ncc(C(=O)Nc2ccc(Cl)cc2)c(C)n1 19764865 OXTFVQBGEOVLLW-KRWDZBQOSA-N 402.882 3.391 0 40 HGAB Cc1oc2cc(OCC(=O)N3CCN(C)CC3)ccc2c(=O)c1Oc1ccccc1 20647836 MCFYMUWFRWTXNQ-UHFFFAOYSA-N 408.454 3.047 0 40 HGAB O=C(c1ccccc1)N1CCCc2cc(S(=O)(=O)NCc3cccnc3)ccc21 20765595 TVAYXBGGYYNXPJ-UHFFFAOYSA-N 407.495 3.153 0 40 HGAB Cc1ccc(C(=O)[C@@H]([C@@H](c2cccs2)N2CCOCC2)N2CCOCC2)cc1 21670206 BNKNETILKVSMCR-NHCUHLMSSA-N 400.544 3.014 0 40 HGAB CS(=O)(=O)N(CC(=O)NCCCc1ccc(F)cc1)c1cccc2ccccc12 22339780 SJRJBSHAEQSFGN-UHFFFAOYSA-N 414.502 3.494 0 40 HGAB C[C@H](NC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccccc1)c1ccc(F)c(F)c1 24040065 LGZVLPBBJLYXED-IFXJQAMLSA-N 408.470 3.385 0 40 HGAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)OCc1cc(=O)n2cc(Cl)ccc2n1 24199121 XMQNYGRUUSXYJM-IBGZPJMESA-N 423.856 3.355 0 40 HGAB C[C@@H](NC(=O)NC1CCN(CC(=O)Nc2ccccc2)CC1)c1ccc(F)c(F)c1 26283816 LRRSJVLBUPLCIW-OAHLLOKOSA-N 416.472 3.428 0 40 HGAB O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1cc(-c2ccccc2)on1 27581215 NAODWDKOGKOQEN-UHFFFAOYSA-N 421.438 3.185 0 40 HGAB CS(=O)(=O)c1ncc(Br)c(-c2nnc(-c3ccc(Cl)cc3)o2)n1 28289412 MPGVMIXPNPDWDG-UHFFFAOYSA-N 415.656 3.013 0 40 HGAB Cc1ccc([C@H](C)NC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)c(C)c1 30756042 UQXLNOQMPLTUFI-LIRRHRJNSA-N 422.934 3.361 0 40 HGAB CS(=O)(=O)NCCc1ccc(C(=O)Nc2ccccc2N2CCCCCC2)s1 31097710 KPNOKGGEKWSWQL-UHFFFAOYSA-N 421.588 3.473 0 40 HGAB CCCCCCn1nc(C(=O)Nc2ccc(OCC(N)=O)cc2)c2ccccc2c1=O 31184273 KBUQKSBAYGAYJO-UHFFFAOYSA-N 422.485 3.093 0 40 HGAB Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)N[C@@H](C)CCc1ccco1 32841615 AVYZBULDMYYVEI-NSHDSACASA-N 409.412 3.423 0 40 HGAB Cc1nc(Cc2ccccc2)sc1C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 32913876 YIJKVNMERIMURK-ZDUSSCGKSA-N 415.540 3.181 0 40 HGAB Cc1ccc(Cl)cc1NC(=O)CNC(=O)C(=O)Nc1ccc(Br)cc1 33762991 SAYZUQRQPLHUKQ-UHFFFAOYSA-N 424.682 3.104 0 40 HGAB COc1ccc(CN(C)C(=O)c2ccccc2S[C@@H]2CCS(=O)(=O)C2)cc1F 34894805 PNDZVJAIDSJSCC-OAHLLOKOSA-N 423.531 3.386 0 40 HGAB Cc1ccc2ncc(C(=O)NCc3ccccc3CN3CCCC[C@@H]3C)c(=O)n2c1 36394103 MNJGNKMXCLGFMG-SFHVURJKSA-N 404.514 3.307 0 40 HGAB CCn1ncc(-c2noc3nc(C4CC4)cc(C(=O)N4CCC[C@@H]4C(=O)OC)c23)c1C 36618902 GIILHFUTAZLIQD-QGZVFWFLSA-N 423.473 3.070 0 40 HGAB COc1ccc(S(=O)(=O)NCCCc2ccc(C)cc2)cc1N1CCCC1=O 38771203 ZTNSOFZIHISEJA-UHFFFAOYSA-N 402.516 3.042 0 40 HGAB COc1ccc(NC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(C(C)(C)C)ccc3O2)cc1 38834262 GVFDGDFHMZYPEJ-LJQANCHMSA-N 418.515 3.158 0 40 HGAB C[C@H]1C[C@H](C(N)=O)c2ccccc2N1C(=O)COc1ccc(Br)cc1F 40069792 XJRMDJTWHFMVQL-FZMZJTMJSA-N 421.266 3.361 0 40 HGAB Cc1cc(C)n(-c2ccc(NC(=O)c3ccc(N4C[C@H](C)O[C@H](C)C4)nc3)cn2)n1 40088975 UADYTVUOJOADLY-CALCHBBNSA-N 406.490 3.145 0 40 HGAB CC[C@H](C)NC(=O)CN1CCN(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 40098597 KUDVESVBWJZVGC-LBPRGKRZSA-N 420.863 3.423 0 40 HGAB Cc1ccc(O[C@H](C)C(=O)Nc2ccc(-n3cnnn3)cc2)c(Br)c1 40140788 NSMNBNFIKAUSPN-GFCCVEGCSA-N 402.252 3.139 0 40 HGAB Cc1ccc(NC(=O)N(C)C[C@H]2CCCO2)cc1NC(=O)N(C)C[C@H]1CCCO1 40158475 GZOQIBZNEDREDH-QZTJIDSGSA-N 404.511 3.280 0 40 HGAB COc1cc(OC)c(C2=NO[C@@]3(CC(=O)N(c4c(C)cccc4C)C3=O)C2)cc1OC 40283233 YYQMRILZUUAYLQ-HSZRJFAPSA-N 424.453 3.156 0 40 HGAB COc1ccccc1NC(=O)[C@@H](C)SCc1cccc(S(=O)(=O)N(C)C)c1 45090019 LUTTUTVRFDHXQK-CQSZACIVSA-N 408.545 3.206 0 40 HGAB O=C(NC[C@@H]1CCCCN1S(=O)(=O)c1cc(F)ccc1F)Nc1ccccc1 46800326 QAGDIGGPDHLBGV-INIZCTEOSA-N 409.458 3.330 0 40 HGAB Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)N(C)Cc1nc2ccccc2s1 48363069 WWFCWGQLDFUOGL-UHFFFAOYSA-N 415.540 3.318 0 40 HGAB CCC(=O)Nc1c(-c2ccccn2)nsc1C(=O)NCc1ccc2c(c1)OCO2 49007866 ISOMECCYFZEMMX-UHFFFAOYSA-N 410.455 3.212 0 40 HGAB Cc1ccc(-c2ccc3nn(Cc4ccc(N5CCCC5=O)cc4)c(=O)n3n2)cc1C 49399411 UDQXIMPHEKPKRG-UHFFFAOYSA-N 413.481 3.350 0 40 HGAB O=S(=O)(NC[C@@H](c1cccs1)N1CCCCCC1)c1ccc2c(c1)OCO2 49611760 NHQYKAKJOLYWQH-INIZCTEOSA-N 408.545 3.372 0 40 HGAB CCCN1CCC(NS(=O)(=O)C2=Cc3ccc(OC(F)F)cc3CC2)CC1 51134705 PBZGCJJVZYHUOZ-UHFFFAOYSA-N 400.491 3.369 0 40 HGAB COc1ccc(-c2cc(C(=O)N3CCN(c4ccc(C(C)=O)cc4)CC3)n[nH]2)cc1 57477105 UDAJCYWKDLQWJZ-UHFFFAOYSA-N 404.470 3.250 0 40 HGAB Cc1ccccc1NC1CCN(C(=O)c2ccc(=O)n(Cc3ccccc3)n2)CC1 65576985 FFCHQXDPXRIWNQ-UHFFFAOYSA-N 402.498 3.317 0 40 HGAB Cc1cccc(C)c1NC(=O)Cn1cnc2nc(N3CCC[C@@H](C)C3)sc2c1=O 67226182 VSMRYFUFSXWOIV-CYBMUJFWSA-N 411.531 3.345 0 40 HGAB O=C(c1nc2ccccc2s1)C1CCN(C(=O)c2n[nH]c(=O)c3ccccc23)CC1 72335511 HRAIDKACWUYINZ-UHFFFAOYSA-N 418.478 3.268 0 40 HGAB O=C(OCc1ccccc1)N1CCC[C@@H](S(=O)(=O)N[C@H]2CCc3ccccc32)C1 78876420 YBMKDDYMCUSUAF-CTNGQTDRSA-N 414.527 3.395 0 40 HGAB Cc1cc(OC[C@@H](O)CN2C(=O)C[C@@]3(CCSC3)C2=O)c(C(C)C)cc1Cl 84077160 QMECXDIEICFUGZ-VBKZILBWSA-N 411.951 3.394 0 40 HGAB CCOC(=O)c1[nH]c(C)c(C(=O)Nc2nc(CCc3c[nH]c4ccccc34)n[nH]2)c1C 95473049 ORMIBPOZYMNASV-UHFFFAOYSA-N 420.473 3.445 0 40 HGAB COc1cccc(-n2nc(C)c([C@H]3COCCN3Cc3nnc(C4CC4)o3)c2C)c1 95999875 ILNOLNYEMFXJBB-LJQANCHMSA-N 409.490 3.332 0 40 HGAB CCOc1ccc(C(=O)N2CCN(c3cc(-c4ccc(OC)cc4)n[nH]3)CC2)cc1 98212537 IJKYERMMOZBBED-UHFFFAOYSA-N 406.486 3.446 0 40 HGAB COC(=O)C1=C(C)NC(C)=C(C(=O)OC[C@@H]2CCCO2)[C@@H]1c1cccc(Cl)c1 100164022 LQEWPGRSSVICNO-QFBILLFUSA-N 405.878 3.470 0 40 HGAB Cc1ccc(CC(=O)NC[C@H]2CC[C@H](c3nc(C)ncc3C(=O)N(C)C)CC2)cc1 100205628 QNXSPUVGNDLHBI-BGYRXZFFSA-N 408.546 3.428 0 40 HGAB COc1ccc(C2=NO[C@@H]3C(=O)N(c4cc(Cl)ccc4Cl)C(=O)[C@@H]23)c(OC)c1 101358804 VKUQRBISRFOJKN-RDJZCZTQSA-N 421.236 3.303 0 40 HGAB C[C@H]1CN(c2ccc(S(N)(=O)=O)cc2C(F)(F)F)C[C@@H](c2ccccc2)O1 108077362 VQHKVZHXSXFGNA-SJCJKPOMSA-N 400.422 3.319 0 40 HGAB C[C@H]1C[C@@H](C)CN([C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)C1 108929078 WOVUWEXTIHITJF-FGTMMUONSA-N 407.580 3.166 0 40 HGAB CC(C)OCCCNc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)O 217606488 QBOMWTTYPMWXTE-UHFFFAOYSA-N 406.504 3.090 0 40 HGAB COc1cccc(-c2noc(CN(C)C(=O)c3ccc(CN4CCCC4=O)cc3)n2)c1 219234138 MJVKRZISWKBZIS-UHFFFAOYSA-N 420.469 3.140 0 40 HGAB COc1ccc([C@@H](C)NC(=O)CN(c2cccc(OC(C)C)c2)S(C)(=O)=O)cc1 220112325 WWKFXDOEFYRXOS-MRXNPFEDSA-N 420.531 3.126 0 40 HGAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1cccc(N(C)S(C)(=O)=O)c1 222422911 CKYHGAOVBJMDTO-SFHVURJKSA-N 418.515 3.123 0 40 HGAB CS(=O)(=O)Nc1ccccc1C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 223320735 JNVNUNVQZZGECH-UHFFFAOYSA-N 408.892 3.482 0 40 HGAB Cc1ccc(S(=O)(=O)N(C)Cc2ncc(C(=O)N[C@@H](C)c3ccccc3)cn2)cc1 223381389 LNTAFLQTCMFIFG-KRWDZBQOSA-N 424.526 3.097 0 40 HGAB CCN(Cc1nc(-c2cccs2)no1)S(=O)(=O)c1ccc(OC)c(OC)c1 223764599 MQIACNDUQJEHSB-UHFFFAOYSA-N 409.489 3.026 0 40 HGAB Cc1ccc([C@H](C)NS(=O)(=O)c2nnc(NC(=O)c3cccc(C)c3)s2)cc1 224454799 OURYIVQNTUDTGR-AWEZNQCLSA-N 416.528 3.447 0 40 HGAB COc1ccc(Br)cc1S(=O)(=O)NCCOc1ccccc1C 225132300 XCLZGRRGBJWARE-UHFFFAOYSA-N 400.294 3.123 0 40 HGAB CCCn1c(=O)sc2cc(S(=O)(=O)Nc3cc(OC)ccc3OC)ccc21 225722400 YKNZDWBHQSDOGN-UHFFFAOYSA-N 408.501 3.291 0 40 HGAB CCCNC(=O)Cc1c(C)nc([C@H]2CCCN(C(=O)c3ccccc3OC)C2)nc1C 257238695 HMCFBBYSFXSBAY-SFHVURJKSA-N 424.545 3.191 0 40 HGAB COCCC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4cc(OC)ccc4O)OCC[C@@]31C2 257281309 OOOMEAHMTNTKSJ-OJEZNDAVSA-N 403.519 3.436 0 40 HGAB NCC(=O)NC[C@@]1(c2ccccc2)CC[C@@H]2O[C@H](c3ccccc3)C[C@H](O)[C@H]2CC1 257283744 OZSASTYYKKCHML-FCRIMTMASA-N 408.542 3.081 0 40 HGAB Cc1c(Cl)cccc1S(=O)(=O)NC(=O)c1ccc(Oc2ncccn2)cc1 257308203 TVVGCDNYHQNPHV-UHFFFAOYSA-N 403.847 3.349 0 40 HGAB O=C(NCCn1nc([C@@H]2CCCN(C(=O)[C@@H]3CC=CCC3)C2)c2cccnc21)C1CC1 257342179 ZNLJWEYIGMCSTC-RTBURBONSA-N 421.545 3.020 0 40 HGAB C[C@@H]1C[C@@H](C)CN(c2cc(C(F)(F)F)nc(NC(=S)NC[C@H]3CCCO3)n2)C1 260715069 LRMACFDQZBIZHG-JHJVBQTASA-N 417.501 3.443 0 40 HGAB COc1ccc(CN2CCO[C@H](c3nnn4cc(-c5cccnc5)ccc34)C2)cc1 306132292 LEDRTGNMMDOVNX-QFIPXVFZSA-N 401.470 3.373 0 40 HGAB Cc1cc(S(=O)(=O)N2CCCCC2)ccc1OCC(=O)Nc1c(F)cccc1F 408586146 AKPJKPRAUYIQNP-UHFFFAOYSA-N 424.469 3.465 0 40 HGAB COC(=O)c1ccc(C)c(-c2ccc(/C=C3/SC(=O)N(CC(=O)O)C3=O)o2)c1 409130589 WPHJANQQNDEUOQ-OVCLIPMQSA-N 401.396 3.163 0 40 HGAB CCn1c(CNC(=O)Cc2ccccc2)nnc1SCC(=O)Nc1ccc(C)cc1 409163530 SVZVREXPMWZBQH-UHFFFAOYSA-N 423.542 3.196 0 40 HGAB Cc1ccc(N(CC(=O)NCCCOC(C)C)S(=O)(=O)c2ccccc2)cc1C 409261028 AFDIUEUQTYGHEM-UHFFFAOYSA-N 418.559 3.430 0 40 HGAB Cc1ccc(C)c(NC(=O)COc2ccc(S(=O)(=O)N3CCCC3)cc2C)c1 409393869 YUNATEQIDCOEJV-UHFFFAOYSA-N 402.516 3.414 0 40 HGAB COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H](Oc2ncc(Cl)cn2)C1 575610539 VPMYGCJDJCJWTO-ZDUSSCGKSA-N 418.302 3.024 0 40 HGAB COc1ccc(Br)c(C(=O)NCc2ccnc(-c3cnn(C)c3)c2)c1 575617496 DFZDCDHSOVYPHW-UHFFFAOYSA-N 401.264 3.183 0 40 HGAB CC(=O)OC[C@@]1(CC(=O)N2CCCC2)CCCN1C(=O)/C=C/c1c[nH]c2ccccc12 643586871 HCGYMIQPUIHLBT-GTCGAKFVSA-N 423.513 3.118 0 40 HGAB Cn1cc(-c2ccc(CCNC(=O)C(=O)Nc3ccc(F)c(Cl)c3)s2)cn1 1889229416 MZJSDAUQPXIFNL-UHFFFAOYSA-N 406.870 3.239 0 40 HGAB C[C@H](CC(=O)Nc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1)c1ccccc1 815605 UJVXFANTWQJGTE-APWZRJJASA-N 402.516 3.276 0 40 HGAB CS(=O)(=O)N(CC(=O)Nc1cccnc1)c1ccc(Cl)c(C(F)(F)F)c1 886408 UYNWTYUHLUHBJM-UHFFFAOYSA-N 407.801 3.159 0 40 HGAB C[C@H](C(=O)Nc1ccc2c(c1)OCO2)N(Cc1cccnc1)C(=O)Cc1ccccc1 1420038 FXLUNPOJQFYJDM-QGZVFWFLSA-N 417.465 3.409 0 40 HGAB O=C(O)c1ccc(NC(=O)[C@H]2CCC[C@H](C(=O)Nc3ccc(C(=O)O)cc3)C2)cc1 1513423 SHIRTAVQITWLKS-HOTGVXAUSA-N 410.426 3.467 0 40 HGAB COc1cc([C@H]2CC(=O)c3cnc(NC[C@H]4CCCO4)nc3C2)cc(OC)c1OC 2109968 ASKJYRFEUKZQKF-UKRRQHHQSA-N 413.474 3.006 0 40 HGAB biogenic Cn1c(SCC(=O)N2CCCC2)nnc1-c1cccc(NC(=O)c2ccccc2)c1 2244762 FEZIYYGBVFKXFQ-UHFFFAOYSA-N 421.526 3.449 0 40 HGAB Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)/C=C/c3cccs3)cc2)n1 2709362 HQYDSZFKVSIWRK-RMKNXTFCSA-N 400.485 3.299 0 40 HGAB O=C(COC(=O)c1cc(=O)c2ccccc2o1)Nc1cccc(Br)c1 3218036 QMLRIYPOFXPBEC-UHFFFAOYSA-N 402.200 3.351 0 40 HGAB Nn1c(Cc2cccc3ccccc23)nnc1SCC(=O)N1CCc2ccccc21 3220196 CTJDRRUGCWNPCM-UHFFFAOYSA-N 415.522 3.417 0 40 HGAB Cc1cc(C(=O)COC(=O)c2cc3ccccc3oc2=O)c(C)n1C[C@@H]1CCCO1 3298115 PHQKYKBUZFQBNV-KRWDZBQOSA-N 409.438 3.430 0 40 HGAB CCc1ccc2nc(NC(=O)CN3C(=O)N[C@@]4(CCCC[C@H]4C)C3=O)sc2c1 3324803 BAVLPEXGJQPLHH-MPBGBICISA-N 400.504 3.298 0 40 HGAB COCCNC(=O)CSc1nnc(-c2ccccc2OC)n1-c1ccc(C)cc1 3401684 KMTIHHNPIJGWNU-UHFFFAOYSA-N 412.515 3.106 0 40 HGAB CCOC(=O)c1c(NC(=O)CNc2ccc(NC(C)=O)cc2)sc2c1CCC2 3434462 CGIKVBKGSDEHMJ-UHFFFAOYSA-N 401.488 3.423 0 40 HGAB Nn1c(SCc2nc3ccc(Cl)cc3n2CCO)nnc1C1CCCCC1 3448613 YLEQHZSUPMBOKY-UHFFFAOYSA-N 406.943 3.327 0 40 HGAB COc1ccc2c(c1OC)C(=O)N1[C@H](C(=O)NCCC3=CCCCC3)CS[C@H]21 4081617 ZSFCFTZOZYWBAZ-YCRPNKLZSA-N 402.516 3.280 0 40 HGAB biogenic CCCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3cccs3)cc2)CC1 4121760 AWOYQDZRNTZSST-UHFFFAOYSA-N 416.572 3.324 0 40 HGAB COc1cc(OC)c([C@@H]2CC(=O)N(c3ccc(F)cc3)C3=C2C(=O)OC3)cc1OC 4519968 VFJBHGXLSNBWKR-HNNXBMFYSA-N 413.401 3.183 0 40 HGAB CC(=O)c1cccc(NC(=O)[C@H](C)OC(=O)C[C@@H]2Sc3ccccc3NC2=O)c1 4539806 XNJHLOJFCMQTTR-UGSOOPFHSA-N 412.467 3.263 0 40 HGAB Cc1nnc2ccc(-c3ccc(NS(=O)(=O)c4cc(F)ccc4F)cc3)nn12 5150852 OOWBPTZIWDMQJY-UHFFFAOYSA-N 401.398 3.179 0 40 HGAB COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 5293329 RXNMGIFJFWRUEU-KRWDZBQOSA-N 408.907 3.449 0 40 HGAB CCOc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc(OC)cc2)cc1OC 6052629 CJXBVCMKPAYJND-FQEVSTJZSA-N 411.458 3.369 0 40 HGAB CCCCOC(=O)c1ccc(NC(=O)CN(c2ccccc2C)S(C)(=O)=O)cc1 7523934 BCAXBBULRKHFEA-UHFFFAOYSA-N 418.515 3.357 0 40 HGAB COc1cc(CNC(=O)CNC(=O)c2ccccc2F)ccc1OCc1ccccc1 7648925 FNKNEZMVPXAUJS-UHFFFAOYSA-N 422.456 3.460 0 40 HGAB C[C@@H](CCc1ccco1)NC(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1 8011006 QXIQKYXCAQENLJ-INIZCTEOSA-N 400.500 3.191 0 40 HGAB CN(c1ccc(C(=O)NCCSCc2cccc(Cl)c2)cc1)S(C)(=O)=O 8091302 FIBUUTQCSGTCIR-UHFFFAOYSA-N 412.964 3.399 0 40 HGAB Cc1cccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)cc2)c1 8410646 AZVXYIZSOFZYGE-WOJBJXKFSA-N 418.449 3.246 0 40 HGAB COc1ccc([C@H]2C/C(=C3/C(=O)N(c4cccc(Cl)c4)C(=O)N=C3O)NN2)cc1 8971982 UEYBIVLSPUMTDT-KSPIOAOGSA-N 412.833 3.265 0 40 HGAB COc1cc(Br)cc(/C=c2\sc3nc4ccccc4n3c2=O)c1OC 9454855 JQTAWHWFKSVJJT-NVNXTCNLSA-N 417.284 3.237 0 40 HGAB O=C(Cn1[nH]c(=O)c2ccccc2c1=O)N1CCCC[C@@H]1c1nc2ccccc2s1 9748708 UHXHWWWCMRIVKJ-QGZVFWFLSA-N 420.494 3.053 0 40 HGAB Cc1cc(C)n(-c2nc3c(c(=O)n2CC(=O)Nc2cccc(Cl)c2)CCCC3)n1 9828824 QSHVYOZPEYFPKP-UHFFFAOYSA-N 411.893 3.217 0 40 HGAB CCC[C@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(OC)c(Cl)c2)C1 9974706 LXWQQFZYWYGZRN-UONOGXRCSA-N 402.944 3.054 0 40 HGAB Cc1cccc(N(CC(=O)NCCSCc2ccccc2F)S(C)(=O)=O)c1C 10281024 RATFPHQBZBQNPA-UHFFFAOYSA-N 424.563 3.258 0 40 HGAB CC[C@@H](NC(=O)CNC(=O)c1ccc(N2CCCC2=O)cc1)c1ccc(Cl)cc1 10423502 DYOMPLVJXUVUTI-LJQANCHMSA-N 413.905 3.464 0 40 HGAB Cc1ccc(N2C[C@@H](c3nc4ccccc4n3CC(=O)N3CCCC3)CC2=O)cc1 12062147 IUJJEFQFAJPBET-SFHVURJKSA-N 402.498 3.488 0 40 HGAB Cn1cc(OCc2ccccc2)c(=O)cc1C(=O)N1CCN(c2ccccc2F)CC1 12069853 XEGHPXWFDUVMRR-UHFFFAOYSA-N 421.472 3.066 0 40 HGAB CO[C@@H]1CCC[C@H](C(=O)N2CCC(Cn3nc(-c4cccs4)ccc3=O)CC2)C1 12158136 KPWYNTDGWBMREA-ZWKOTPCHSA-N 415.559 3.416 0 40 HGAB CO[C@H]1CCC[C@H](C(=O)N2CCC(Cn3nc(-c4cccs4)ccc3=O)CC2)C1 12158141 KPWYNTDGWBMREA-ROUUACIJSA-N 415.559 3.416 0 40 HGAB CNS(=O)(=O)c1cccc(C(=O)NCCc2ccc(-c3csc(C)n3)s2)c1 12397130 YQEGQVKACIHVIH-UHFFFAOYSA-N 421.569 3.061 0 40 HGAB COc1ccc(N[C@H](C)C(=O)c2c[nH]c3ccccc23)cc1S(=O)(=O)N(C)C 12517590 VMPOCRWTQYWJRD-CYBMUJFWSA-N 401.488 3.110 0 40 HGAB Cn1ccnc1[C@@H](NC(=O)COc1ccc(Br)cc1)c1ccccc1 12550193 RRZMAIMCOXYLSW-SFHVURJKSA-N 400.276 3.467 0 40 HGAB COC(=O)c1ccc(CNC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccccc2)cc1 12924089 CPDNPSLZOVCNGE-JOCHJYFZSA-N 416.477 3.131 0 40 HGAB Cc1ccc(N([C@H](C)C(=O)NCCSCc2ccccc2F)S(C)(=O)=O)cc1 13673596 GCUWRIRYQWCXOK-MRXNPFEDSA-N 424.563 3.338 0 40 HGAB CCOC(=O)c1c(NC(=O)[C@@H](C)N2C[C@H](C)O[C@@H](C)C2)sc2c1CC[C@H](C)C2 14014089 CJWNNNIRFKIZOX-ZQDZILKHSA-N 408.564 3.486 0 40 HGAB C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)c3cc4c(s3)CCC4)cc2)C[C@@H](C)O1 14139692 NOBOYOPTHLQXNY-ZIAGYGMSSA-N 420.556 3.287 0 40 HGAB C[C@H](NC(=O)c1cc(-c2ccc(Cl)cc2)on1)c1ccc(S(N)(=O)=O)cc1 14224979 CVJSNOBMNPUTFR-NSHDSACASA-N 405.863 3.133 0 40 HGAB CC(C)c1n[nH]c(SCC(=O)N2CCN(Cc3c(F)cccc3Cl)CC2)n1 14232208 XVXCWWSFOIKYHS-UHFFFAOYSA-N 411.934 3.157 0 40 HGAB Cc1cc(C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2O)c2ccccc2n1 14247391 GSBJBBZCGRDVLV-UHFFFAOYSA-N 411.483 3.286 0 40 HGAB CCS(=O)(=O)N(CC(=O)Nc1ccccc1C(C)C)c1ccc2c(c1)OCCO2 14397604 BQUSADDKYHGHOP-UHFFFAOYSA-N 418.515 3.376 0 40 HGAB C[C@H](OC(=O)C[C@H](NC(N)=O)c1cccs1)C(=O)Nc1ccc(F)c(Cl)c1 14415313 IONVFELVVJBIGW-ZANVPECISA-N 413.858 3.211 0 40 HGAB NC1=Nc2nc3ccccc3n2[C@H](c2ccc(OCc3cn4ccccc4n3)cc2)N1 15502210 LWEHHYJVKDNRAQ-OAQYLSRUSA-N 409.453 3.359 0 40 HGAB Cc1ccc(-c2ccc(OCCNS(=O)(=O)c3cc(F)ccc3F)nn2)cc1 15884241 VIIIDFQMRFMDLX-UHFFFAOYSA-N 405.426 3.088 0 40 HGAB O=C(Cc1csc(Nc2cccc(Cl)c2)n1)N1CCN(c2ncccn2)CC1 16850333 WSABXHRIPJIMHC-UHFFFAOYSA-N 414.922 3.221 0 40 HGAB c1nnn(C23C[C@H]4C[C@H](CC(c5nc6c7c8c(sc7ncn6n5)CCC8)(C4)C2)C3)n1 18030072 YLCBZEUBLFMIFF-GWEVUABKSA-N 418.530 3.061 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(CCC(=O)Nc2cc(OC)ccc2OC)cc1 18079162 DJZLQWKICIBRGU-UHFFFAOYSA-N 420.531 3.306 0 40 HGAB CN(C)C(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CCCN(C(=O)[C@@H]2CCCO2)C1 19578956 XVWCBXZUACRGBT-WIOPSUGQSA-N 421.541 3.167 0 40 HGAB CN(C)c1ncc(-c2cccc(C(N)=O)c2)c([C@H]2CCN(C(=O)C3CCCCC3)C2)n1 19694706 UIMXDOXHGLZULY-IBGZPJMESA-N 421.545 3.205 0 40 HGAB Cc1ccc(N2C[C@H](C(=O)NCc3ccc(CN4CCCC4=O)cc3)CC2=O)c(C)c1 19714978 HDVFJKYKDWEIPF-OAQYLSRUSA-N 419.525 3.095 0 40 HGAB Cn1cc(C(=O)NCc2ccccn2)c(CC2CCN(Cc3ccc(F)cc3)CC2)n1 19756290 ZGVUFBAWJKBHSE-UHFFFAOYSA-N 421.520 3.339 0 40 HGAB COc1ccc(C(=O)Nc2ccc3nc(SCC(N)=O)sc3c2)cc1OC 20895339 YCMPRFQVNFEKJY-UHFFFAOYSA-N 403.485 3.143 0 40 HGAB CCc1ccc(NC(=O)c2cc(OC)c(OC)cc2N(C)S(=O)(=O)CC)cc1 22252638 OVLRVCMBADDUEY-UHFFFAOYSA-N 406.504 3.304 0 40 HGAB COc1cc(C(=O)NCC(C)C)c(N(Cc2ccccc2)S(C)(=O)=O)cc1OC 22253223 DPLZASQBXOYTQE-UHFFFAOYSA-N 420.531 3.056 0 40 HGAB Cc1ccc(N(CC(=O)NCCCc2ccc(Cl)cc2)S(C)(=O)=O)cc1C 22329466 YKWKZDMYSBNFQG-UHFFFAOYSA-N 408.951 3.472 0 40 HGAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CN(c1ccc(F)cc1)S(C)(=O)=O 22335714 BITNTKUWWMPFNO-SFHVURJKSA-N 420.506 3.319 0 40 HGAB Cc1cccc(C)c1N(CC(=O)NCCCc1ccc(Cl)cc1)S(C)(=O)=O 22338521 HSAMRQNOWUVJSS-UHFFFAOYSA-N 408.951 3.472 0 40 HGAB Cn1c(CCC(=O)OCc2nc3ccccc3n2C(F)F)nc(=O)c2ccccc21 22518350 JTVFGIMLZCXFGB-UHFFFAOYSA-N 412.396 3.354 0 40 HGAB C[C@H](C(=O)NC[C@H]1CCCO1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 22802940 PEJQQWSGFYYBAL-NFBKMPQASA-N 407.558 3.077 0 40 HGAB Cc1ccc(Nc2nc(N)nc(CN3CCN(Cc4ccccc4)CC3)n2)cc1Cl 22808728 XRXRCXSCBAOELG-UHFFFAOYSA-N 423.952 3.477 0 40 HGAB O=C(NCCCn1ccnc1)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 23238516 LJCBNGISOSWMRU-UHFFFAOYSA-N 415.847 3.373 0 40 HGAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc(C)c3)CC2)cc1 23652117 WNMPGAGCBRZEGI-UHFFFAOYSA-N 402.516 3.433 0 40 HGAB Cc1c(C(=O)NCCc2nnc3ccccn23)cnn1-c1cccc(C(F)(F)F)c1 24755751 KYJBRHSMOGWAOE-UHFFFAOYSA-N 414.391 3.215 0 40 HGAB COC(=O)c1ccc2[nH]c3c(c2c1)CN(C(=O)Cc1ccc(OC)c(OC)c1)CC3 25452546 FWDGPLKGMHCELO-UHFFFAOYSA-N 408.454 3.099 0 40 HGAB COc1ccc(-c2nc(NC(=O)Cn3ncc4ccccc4c3=O)sc2C)cc1 30608007 LXXKNSYXRYVVPK-UHFFFAOYSA-N 406.467 3.476 0 40 HGAB COCCNC(=O)CSc1ccccc1C(=O)NC[C@H]1CCCc2ccccc21 30897667 INGOCTSQGIMQGK-GOSISDBHSA-N 412.555 3.391 0 40 HGAB CS(=O)(=O)c1cccc(C(=O)N(Cc2ccc3c(c2)OCO3)C2CCCC2)c1 32678931 AUAJZTAJDIYBJZ-UHFFFAOYSA-N 401.484 3.404 0 40 HGAB COc1ccccc1N1CCN([C@@H](NC(=O)C(C)C)C(Cl)(Cl)Cl)CC1 32690968 XDSORYAWBNAMSX-MRXNPFEDSA-N 408.757 3.286 0 40 HGAB CC(=O)Nc1cccc(NC(=O)[C@H]2CC(=O)N(c3cccc(Br)c3)C2)c1 32795182 IYPNTOIGVSNXPZ-ZDUSSCGKSA-N 416.275 3.399 0 40 HGAB COc1ccc(S(=O)(=O)N[C@@H](c2ccccc2)c2nccn2C)c2cccnc12 32932956 KFHFAOGCIQZMRN-IBGZPJMESA-N 408.483 3.045 0 40 HGAB Cc1cccc(OCCC(=O)N2CCN(CC(=O)Nc3c(C)cccc3C)CC2)c1 35269016 ASPZXTDQNZFLCY-UHFFFAOYSA-N 409.530 3.164 0 40 HGAB Cc1nn2cnnc2c(C)c1CCC(=O)N[C@@H](CN1CCCCC1)c1ccccc1 36752676 DKGBXUQEHJDOMY-NRFANRHFSA-N 406.534 3.017 0 40 HGAB COc1ccc(-c2ccnc(SCC(=O)NCc3ccc4c(c3)OCO4)n2)cc1 39393065 VWROACPLZUIJPO-UHFFFAOYSA-N 409.467 3.289 0 40 HGAB COc1cc(C(C)=O)ccc1OC[C@H](O)CNCC1(N2CCCCC2)CCCCC1 39945130 SXEPCONCYVSSLA-OAQYLSRUSA-N 418.578 3.416 0 40 HGAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2ccccc2OCC)cc1C 39986244 GVJOAWQICMWTAS-UHFFFAOYSA-N 420.531 3.442 0 40 HGAB Cc1ccc(NC(=O)c2cccc(C(N)=O)c2)cc1NS(=O)(=O)c1ccccc1 40108866 QQATUXRYXAJJPL-UHFFFAOYSA-N 409.467 3.147 0 40 HGAB Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)NC1CCN(c2ncccn2)CC1 40134385 WLMVOIMSTKZFCX-UHFFFAOYSA-N 424.936 3.260 0 40 HGAB CCOC(=O)c1cnn(-c2ccc(C(=O)NCCn3cnc4ccccc43)cc2)c1C 40158573 FQTQSSXAZPJQTI-UHFFFAOYSA-N 417.469 3.137 0 40 HGAB O=S1(=O)CC[C@@H](NCc2ccc(Sc3ccc(Br)cc3)o2)C1 41155249 RQCUEAIAVUGFGA-GFCCVEGCSA-N 402.335 3.470 0 40 HGAB CCCCc1noc(CN2CCc3cc(OC)c(OC)cc3[C@@H]2CC(=O)OC)n1 42624539 GESHEVYDNLCCHQ-INIZCTEOSA-N 403.479 3.092 0 40 HGAB COc1cccc(N(CC(=O)N[C@@H](CC(C)C)c2ccccc2)S(C)(=O)=O)c1 44900384 ZYVLEXZHOJLALE-FQEVSTJZSA-N 404.532 3.365 0 40 HGAB COC(=O)C1=C(C)N(C[C@@H]2CCCO2)C(=O)N[C@@H]1c1csc(Br)c1 45712466 CADQLFMYOYECIQ-SMDDNHRTSA-N 415.309 3.203 0 40 HGAB Cc1ccc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1NC(=O)c1nc2nccc(C)n2n1 55593325 UBQUJUZAFPKNJL-OKILXGFUSA-N 406.490 3.112 0 40 HGAB CCCCn1c(=O)c2sccc2n(CC(=O)Nc2ccc(F)c(Cl)c2)c1=O 57427216 GOOSVGMTOWEWKX-UHFFFAOYSA-N 409.870 3.456 0 40 HGAB CCn1c2ccccc2c2cc(NC(=O)N3CCC[C@@H](NS(C)(=O)=O)C3)ccc21 58440819 HZIBTQYLEITONH-MRXNPFEDSA-N 414.531 3.360 0 40 HGAB Cc1ccc(N2N=C(C(=O)NCc3ccccc3F)S(=O)(=O)c3cccnc32)cc1 65183456 UAACMJHXFBHVOK-UHFFFAOYSA-N 424.457 3.084 0 40 HGAB CC[C@@H](C)n1c(SCC(=O)NCc2ccc(OC)cc2)nc2cc(C)[nH]c2c1=O 67239062 OQYZQUBEPPTXCZ-CQSZACIVSA-N 414.531 3.421 0 40 HGAB Cc1cc(C)c(NC(=O)c2nnn(CC(=O)Nc3ccc4c(c3)OCO4)c2C)c(C)c1 67322837 TUKBFGTZQKJNAU-UHFFFAOYSA-N 421.457 3.131 0 40 HGAB Cc1cccc(CN2CCC(NC(=O)CCCn3nnc(-c4ccccc4)n3)CC2)c1 70037232 XIDBBGSSFUFWID-UHFFFAOYSA-N 418.545 3.210 0 40 HGAB Cc1cc(C)n2ncc(C(=O)N3CCC[C@H]([C@H]4CC(=O)c5cc(F)ccc5O4)C3)c2n1 72396501 ULFNNBRIXRBFGZ-YCRPNKLZSA-N 422.460 3.371 0 40 HGAB COc1ccc(-c2nc(C(=O)N3CCCC[C@H](N4CCN(C)CC4)C3)cs2)cc1 89382638 BYPSTRTUEFIIRW-SFHVURJKSA-N 414.575 3.061 0 40 HGAB COC(=O)c1c(Br)c(-c2ccc(OC)c(Br)c2)nn1C 95097255 KBWHQIQQLCRFAK-UHFFFAOYSA-N 404.058 3.407 0 40 HGAB O=C(Nc1ccc(CN2C(=O)CCC2=O)cc1)N1CCC(Cc2cccnc2)CC1 95458194 OUQFZJSSBNPPQH-UHFFFAOYSA-N 406.486 3.217 0 40 HGAB CC(C)n1cnc2c(N3CCOCC3)nc(C3CCN(C(=O)C4(C)CC4)CC3)cc21 96267186 ACUYROGRCHNCFP-UHFFFAOYSA-N 411.550 3.355 0 40 HGAB CC1(C)CC(=O)C(Sc2nnc(-c3ccc(O)cc3)n2C[C@H]2CCCO2)C(=O)C1 100314971 GCRHMCGKGWNMEC-OAHLLOKOSA-N 415.515 3.249 0 40 HGAB Cc1cc(NCN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@@H]3C2=O)cc(C)c1Br 100395553 ADAGSCDZPVUSQZ-KPLDXPABSA-N 401.304 3.488 0 40 HGAB CN(C)c1ccc(NC(=O)CN2[C@@H]3CCC[C@@H]2CC(NC(=O)c2ccco2)C3)cc1 100433596 SAUGQHIEDFLKQN-WOJBJXKFSA-N 410.518 3.100 0 40 HGAB C[C@@H]1[C@@H](NC(=O)COC(=O)CNC(=O)c2ccc(Cl)cc2Cl)CCC[C@H]1C 102167993 DSYKRDJVJRYPEY-WQGACYEGSA-N 415.317 3.207 0 40 HGAB COc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1F 113321834 GETBJRSHOBBZKB-UHFFFAOYSA-N 415.368 3.353 0 40 HGAB CC[C@@H](C(=O)N[C@@H](C)c1ccccc1OC)N(c1ccccc1F)S(C)(=O)=O 222568850 KSCRRJJTXUEORB-YOEHRIQHSA-N 408.495 3.256 0 40 HGAB CCOC(=O)c1cccc(NC(=O)c2ccc(N3CCCCS3(=O)=O)cc2)c1 222586692 KSARTZUZCHJVCI-UHFFFAOYSA-N 402.472 3.046 0 40 HGAB CC[C@@H](C)NS(=O)(=O)c1ccc(OCC(=O)N(C)c2ccc(C)c(C)c2)cc1 222663661 GWWUSMMPHQGHTR-QGZVFWFLSA-N 404.532 3.422 0 40 HGAB C[C@@H](NS(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2)s1)c1ccccc1 223188811 FYBDPCPUWUYNLK-LLVKDONJSA-N 422.919 3.483 0 40 HGAB S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2C[C@@H]2CCCO2)N1C[C@@H]1CCCO1 223303336 RHNMNDDUBMMESE-IDPBPBMLSA-N 412.559 3.214 0 40 HGAB COc1ccccc1-n1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1CCCO 223609172 GQKFOWCXXXCXJX-RTWAWAEBSA-N 408.527 3.236 0 40 HGAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)N2c3ccccc3C[C@@H]2C)cc1C 226065116 GYGFMOGRPRJVPK-KRWDZBQOSA-N 416.543 3.382 0 40 HGAB O=C(NC[C@](O)(c1ccco1)c1cccs1)C(=O)Nc1ccc(F)c(Cl)c1 238832420 GFRKYKFIOZUDIR-SFHVURJKSA-N 408.838 3.124 0 40 HGAB CCOc1cc(-c2cc(-c3cc(OC)c(O)c(OC)c3)nn2CCO)ccc1O 257229559 FYOAQNOIDHIPAF-UHFFFAOYSA-N 400.431 3.037 0 40 HGAB CCOC(=O)c1ccc(NC(=O)CCCN(c2ccccc2)S(C)(=O)=O)cc1 408622095 ASFMWAJUZWYRDD-UHFFFAOYSA-N 404.488 3.048 0 40 HGAB CC(C)(C)OC(=O)N1CCC(CC(=O)NCc2nccnc2-c2ccoc2)CC1 575620027 IRAACMRBKCQPIK-UHFFFAOYSA-N 400.479 3.390 0 40 HGAB C[C@@H](c1ccccc1)N1C[C@]2(COCCN(c3cc(C(F)(F)F)ncn3)C2)CC1=O 585104726 SEKSVNCZJCEVGZ-YWZLYKJASA-N 420.435 3.312 0 40 HGAB Cc1csc(Nc2cc([C@@H]3CCCCN3C(=O)/C=C/CN(C)C)nc(C)n2)n1 585291725 FJBWDIOXXVTRJQ-LKUPDRCFSA-N 400.552 3.465 0 40 HGAB COc1cnccc1C(=O)N1CCC2(CC[C@@H]2NC(=O)CCc2ccccc2)CC1 1565555299 FRTAQFLYXIPRTI-NRFANRHFSA-N 407.514 3.224 0 40 HGAB Cc1noc(C)c1CCC(=O)N1CCN(c2ncnc(-c3ccccc3)c2F)CC1 1775970918 JYHQSKFLNWIHKN-UHFFFAOYSA-N 409.465 3.169 0 40 HGAB CCn1c(SCC(=O)NC2CCCCC2)nnc1[C@H](C)NC(=O)c1ccccc1 661088 WNWTXZNUQPVJFX-HNNXBMFYSA-N 415.563 3.330 0 40 HGAB CCOC(=O)C1=N/C(=C\c2[nH]c(C)c(C(=O)OCC)c2C)C(C(=O)OCC)=C1C 1664671 OEYKQAGMGSKXCX-GDNBJRDFSA-N 402.447 3.046 0 40 HGAB CC(C)Oc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N[C@H](C(=O)O)C(C)C)cc1 2115984 SIFHZYJZURFFSS-URBQWANRSA-N 424.497 3.470 0 40 HGAB biogenic Cc1c([C@H](C)NC(=O)[C@@H](C)n2nc(C(F)F)c(Br)c2C)cnn1C 2780960 BKSODUBTGIJKBH-OIBJUYFYSA-N 404.259 3.372 0 40 HGAB O=C(COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)c1ccccc1 3245451 GEIMZHOCHVEMML-UHFFFAOYSA-N 407.875 3.164 0 40 HGAB COc1ccc(NC(=O)c2ccc(NC(=O)CSc3nnc(N)s3)cc2)cc1 3248529 NLJYSYBBQIHGMZ-UHFFFAOYSA-N 415.500 3.112 0 40 HGAB COCCn1c(SCC(=O)c2ccc[nH]2)nc2sc3c(c2c1=O)CCCC3 3432895 YANJQQXAZPIVFY-UHFFFAOYSA-N 403.529 3.286 0 40 HGAB Cn1c(=O)c2c(SC/C=C/c3ccccc3)nc(-c3ccco3)nc2n(C)c1=O 4139156 IUJCUAUNMGVMAU-JXMROGBWSA-N 406.467 3.093 0 40 HGAB O=C(COc1ccccc1)Nc1nnc(SCC(=O)NC2CCCCC2)s1 4328281 JISZKLJAWDVPKD-UHFFFAOYSA-N 406.533 3.097 0 40 HGAB CS(=O)(=O)c1ccccc1C(=O)Nc1nc(-c2ccc3c(c2)OCO3)cs1 4517737 DUAXKYRMCBSAAH-UHFFFAOYSA-N 402.453 3.195 0 40 HGAB COc1cccc(CNC(=O)COC(=O)c2ccc(C(=O)c3ccccc3)cc2)c1 4563771 ACGIQFXZFUWPNU-UHFFFAOYSA-N 403.434 3.399 0 40 HGAB C[C@H](Sc1nnc(-c2cccc(F)c2)n1C)C(=O)Nc1ccc2c(c1)OCO2 4736269 AYCSCJLISOSRPA-NSHDSACASA-N 400.435 3.469 0 40 HGAB CC1CCN(C(=O)Cn2c(SCC(=O)NC(C)(C)C)nc3ccccc32)CC1 4859185 WZLQURWDOVQBER-UHFFFAOYSA-N 402.564 3.302 0 40 HGAB CC(C)NC(=O)CSc1nc2ccccc2n1CC(=O)N1C[C@@H](C)C[C@H](C)C1 4859320 BZQODSHANMZLPQ-HOTGVXAUSA-N 402.564 3.158 0 40 HGAB COCCNC(=O)c1c(NC(=O)c2ccc(OC)c(OC)c2)sc2c1CCCC2 5027473 OOVCQSIVFXEDBQ-UHFFFAOYSA-N 418.515 3.273 0 40 HGAB Cc1cc2oc(=O)cc(COC(=O)c3ccc(CS(C)(=O)=O)cc3)c2cc1C 5622123 PLNUKSKYBMOEAW-UHFFFAOYSA-N 400.452 3.311 0 40 HGAB C[C@@H](Oc1ccc(F)cc1)c1nnc(SCC(=O)NC(=O)NC2CCCC2)o1 6374594 BUYHJFHZRSQMBC-LLVKDONJSA-N 408.455 3.209 0 40 HGAB CC(C)[C@H](C(=O)O)N1CC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C1=O 6564281 PEMHOAIHPQJNIM-LEWJYISDSA-N 422.481 3.235 0 40 HGAB CN(C)S(=O)(=O)c1ccc(S[C@H](C(=O)N2CCCCC2)c2ccccc2)nc1 7356904 CTGSKWVMKGYKKK-IBGZPJMESA-N 419.572 3.178 0 40 HGAB CCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NC(C)C)cc1OCC 7361236 ULRVAOAHLPQCGA-UHFFFAOYSA-N 406.504 3.423 0 40 HGAB C[C@H](CCc1ccco1)NC(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1 8011008 QXIQKYXCAQENLJ-MRXNPFEDSA-N 400.500 3.191 0 40 HGAB O=C(CCC(=O)N1CCN(c2ncccn2)CC1)c1ccc(-c2ccccc2)cc1 8134605 CUMCALWNLISIPR-UHFFFAOYSA-N 400.482 3.455 0 40 HGAB CCCCNC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2cccc(OC)c2)C1 8261546 KQJWDJLPJATFJD-MRXNPFEDSA-N 409.486 3.217 0 40 HGAB Cc1ccc(S(=O)(=O)NCCC(=O)N2CCC(Cc3ccccc3)CC2)cc1 8289696 XAHQDRSAVLGFKZ-UHFFFAOYSA-N 400.544 3.145 0 40 HGAB C[C@@H]1CCCCN1S(=O)(=O)c1ccccc1C(=O)Nc1ccc2c(c1)OCO2 8851766 OCTHEWWYEXFIEK-CQSZACIVSA-N 402.472 3.231 0 40 HGAB NS(=O)(=O)c1cccc(NC(=O)CCc2nc3ccccc3n2-c2ccccc2)c1 8893240 XZKVSKJAILGEML-UHFFFAOYSA-N 420.494 3.244 0 40 HGAB COc1ccc(OC)c(N2C[C@@H](C(=O)Nc3cccc(Br)c3)CC2=O)c1 9095614 OQNCIWOJILMVHP-LBPRGKRZSA-N 419.275 3.458 0 40 HGAB CCn1c(SCC(=O)N2c3ccccc3NC(=O)C[C@H]2C)nnc1-c1ccncc1 9478546 LFXRYKHSXGNHRC-CQSZACIVSA-N 422.514 3.216 0 40 HGAB COc1cccc(-c2nc(COC(=O)Cc3c(C)nn(C)c3C)cs2)c1OC 10200097 SMMMAEMTPYYERI-UHFFFAOYSA-N 401.488 3.464 0 40 HGAB COc1ccc(F)cc1S(=O)(=O)N1CCC(C(=O)Nc2ccc(C)cc2C)CC1 10302897 GOJZDUWCFTZSGR-UHFFFAOYSA-N 420.506 3.491 0 40 HGAB COC[C@@H](C)NC(=O)c1ccc(CN(c2cccc(Cl)c2)S(C)(=O)=O)cc1 10356886 GPXZOMRAGKNCMA-CQSZACIVSA-N 410.923 3.071 0 40 HGAB O=C(Cc1c(F)cccc1Cl)N1CCC(NS(=O)(=O)c2cccs2)CC1 11450639 SIBLERBUHWFGAO-UHFFFAOYSA-N 416.927 3.053 0 40 HGAB COc1ccc(CC(=O)N[C@H]2C[C@]3(CCC(=O)N(C)CC3)Oc3ccccc32)cc1 12086412 ZRHXGLWBQUVRFW-GBXCKJPGSA-N 408.498 3.259 0 40 HGAB CC(C)n1c(=O)oc2cc(S(=O)(=O)N3CCCCC[C@H]3c3cnn(C)c3)ccc21 12234464 XCUGAAONHDEMCQ-KRWDZBQOSA-N 418.519 3.215 0 40 HGAB Cc1ccccc1CNC(=O)NCc1ccccc1S(=O)(=O)N1CCCCC1 12812140 SEOQBNRKBNDIGJ-UHFFFAOYSA-N 401.532 3.169 0 40 HGAB O=C(CCN1C(=O)NC2(CCCCC2)C1=O)Nc1nc(-c2cccs2)cs1 12851184 NTLXCGRDKFHWAT-UHFFFAOYSA-N 404.517 3.455 0 40 HGAB COc1ccc(C)cc1NC(=O)[C@H]1CC(=O)N(c2cc(OC)c(OC)c(OC)c2)C1 12949562 LXQQSIDHPPSYRW-AWEZNQCLSA-N 414.458 3.021 0 40 HGAB COC(=O)[C@@H]1Cc2ncn(Cc3ccc(Cl)cc3)c2CN1C(=O)c1cccs1 15676484 MZGOCRARPNPKFZ-INIZCTEOSA-N 415.902 3.386 0 40 HGAB biogenic,in-vitro O=S(=O)(/C=C/c1ccc(Cl)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 16093073 BJSIQMFWGLYYLH-KPKJPENVSA-N 420.918 3.187 0 40 HGAB O=C(Nc1ccn(Cc2ccc(Br)cc2)n1)[C@H]1CC=CC[C@H]1C(=O)O 17082802 GVEFGKUEHIHUSF-LSDHHAIUSA-N 404.264 3.299 0 40 HGAB O=C1CC[C@]2(CCCN(C(=O)Cc3ccc4c(c3)OCCO4)[C@@H]2c2ccc(F)cc2)N1 19336229 MJBZGNPWAZEZNK-RPWUZVMVSA-N 424.472 3.152 0 40 HGAB Cc1sc2ncn(CC3(O)CCN(Cc4ccccc4F)CC3)c(=O)c2c1C 19561574 QBHAOFMNIUGSKM-UHFFFAOYSA-N 401.507 3.241 0 40 HGAB COCCN1CCCC[C@H](C2CCN(C(=O)c3cc4ccc(F)cc4[nH]3)CC2)C1=O 19744072 PLJDMYHSHGYWFL-LJQANCHMSA-N 415.509 3.434 0 40 HGAB O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)NCc1ccc(F)cc1 20459519 QOEHRMBPBYHCAF-UHFFFAOYSA-N 416.449 3.477 0 40 HGAB COc1ccc(SCC(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)cc1 20492031 OBRWXIIHMANQAE-INIZCTEOSA-N 400.500 3.335 0 40 HGAB CCC[C@H](C)NC(=O)COc1ccc(N(Cc2ccccc2)S(C)(=O)=O)cc1 22231319 IVGUHBOBSOPICB-KRWDZBQOSA-N 404.532 3.336 0 40 HGAB OC1CCN(c2nc(CN3CCOCC3)nc3scc(-c4cccs4)c23)CC1 22989692 GAQPDKMWLRCBHV-UHFFFAOYSA-N 416.572 3.213 0 40 HGAB O=C([C@H]1CCCC[C@H]1C(=O)N1CCc2ccccc21)N1CCN(c2nccs2)CC1 23007709 QXBNBFWQUCIDPB-RBUKOAKNSA-N 424.570 3.187 0 40 HGAB O=C(NCc1ccc2c(c1)OCO2)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 23762233 SPKCLABIAAMPDE-UHFFFAOYSA-N 407.392 3.362 0 40 HGAB COc1ccccc1OCC(=O)NC[C@@H](c1ccc(C(C)C)cc1)N1CCOCC1 28290997 FSSOJKAPCTXQFD-NRFANRHFSA-N 412.530 3.387 0 40 HGAB CC(C)[C@@H](CNC(=O)CCc1nc(-c2ccccn2)no1)N1CCc2ccccc2C1 30637589 BJHVXGXFFRVLKM-OAQYLSRUSA-N 419.529 3.263 0 40 HGAB CCSc1ccccc1NC(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC 30856696 GCQZBIATIFLTME-UHFFFAOYSA-N 422.528 3.322 0 40 HGAB COc1cc(OC)c2cc(C(=O)N3CCN(c4ccccc4F)CC3)[nH]c2c1OC 31214608 DBZMYMIZCYQYCS-UHFFFAOYSA-N 413.449 3.295 0 40 HGAB CN1CCC2(CC1)C[C@H](NS(=O)(=O)c1ccc(F)cc1F)c1ccccc1O2 31583888 CUHSGSVEGZSJIS-KRWDZBQOSA-N 408.470 3.231 0 40 HGAB Cc1ccc(C(C)(C)C)cc1S(=O)(=O)N1CCC(C(=O)NCC(F)(F)F)CC1 32719892 PELUVOQBXSXGCL-UHFFFAOYSA-N 420.497 3.372 0 40 HGAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cccn3-c3cccc(C)c3)C2=O)o1 33579609 SCEIJLXXMCHETB-PDGQHHTCSA-N 405.410 3.258 0 40 HGAB C[C@H](NC(=O)CN1CCN(c2ncccn2)CC1)c1ccc(-c2ccccc2)cc1 36387044 VMAQMAXBNZKXBP-IBGZPJMESA-N 401.514 3.143 0 40 HGAB Cc1ccc(NC(=O)C[C@@H]2C(=O)N[C@H]3CCCC[C@@H]3N2C(=O)C(C)C)cc1Cl 37065743 CYZOPOBSYHLUIY-OKZBNKHCSA-N 405.926 3.271 0 40 HGAB O=C(NCCc1nc2ccccc2[nH]1)/C(=C/c1ccc(F)cc1)NC(=O)c1ccco1 37866190 OYRXKNATPKCMLQ-RGEXLXHISA-N 418.428 3.425 0 40 HGAB CNS(=O)(=O)Cc1ccc(CNC(=O)[C@H](C)Oc2cc(C(C)C)ccc2C)cc1 40145163 PWTSEWKNULAMGY-KRWDZBQOSA-N 418.559 3.251 0 40 HGAB CCc1ccccc1NC(=O)CSc1nc2[nH]ncc2c(=O)n1-c1ccccc1 51316654 DCDZDNFHLQPQSP-UHFFFAOYSA-N 405.483 3.402 0 40 HGAB O=C(CCNC(=O)c1ccc2ccccc2c1)Nc1ccn(CCc2ccccn2)n1 51416537 GSDHXAGAEQURHT-UHFFFAOYSA-N 413.481 3.433 0 40 HGAB NC(=O)C1(CNC(=O)c2ccc(-c3nc4ccccc4s3)s2)CCOCC1 52743235 PLKULLUABHTHNS-UHFFFAOYSA-N 401.513 3.037 0 40 HGAB Cc1ccc(S(C)(=O)=O)c(NC(=O)N2CCC([C@H](O)c3ccccc3)CC2)c1 56775588 BOERBCRKSQNWRT-HXUWFJFHSA-N 402.516 3.376 0 40 HGAB COc1ccc(N2C[C@@H](C(=O)N3CCN(c4ccc(Cl)cc4)CC3)CC2=O)cc1 57416703 JFEUXSIBFWDXMG-INIZCTEOSA-N 413.905 3.050 0 40 HGAB CCOC(=O)c1ccc(NC(=O)Cn2c(-c3ccccc3)nc(CC)cc2=O)cc1 57527083 CNAVBIIVXVWGGI-UHFFFAOYSA-N 405.454 3.288 0 40 HGAB Cc1cc(=O)oc2cc(NC(=O)NCCCS(=O)(=O)Cc3ccccc3)ccc12 57963062 IVDJMHZTHCJVIY-UHFFFAOYSA-N 414.483 3.228 0 40 HGAB O=C(CN1CCC(c2n[nH]c(C3CC3)n2)CC1)Nc1ccc(Br)cc1 58341807 OMXMBAUVJIAAMH-UHFFFAOYSA-N 404.312 3.263 0 40 HGAB COc1cccc(N2CCN(C(=O)Cc3c(C)c4ccc(O)c(C)c4oc3=O)CC2)c1 61717486 SVKPJWBRTMPDSO-UHFFFAOYSA-N 422.481 3.015 0 40 HGAB COc1ccccc1CN(CCO)C(=O)Nc1ccc([S@](=O)C(F)(F)F)cc1 72314266 AHMPNTBGCAKQOJ-MUUNZHRXSA-N 416.421 3.349 0 40 HGAB CCS(=O)(=O)N1CCCC[C@H]1c1nnc(C2CCN(Cc3cccs3)CC2)o1 72344894 BHCQGSOXEBPDOD-KRWDZBQOSA-N 424.592 3.387 0 40 HGAB CCOCc1ccc(C(=O)N2CCc3nc([C@@H]4CCCN(C)C4)nc(NC)c3C2)cc1 72372300 XMHWAMNROYLKAP-LJQANCHMSA-N 423.561 3.063 0 40 HGAB Cc1cccc(Nc2cccc([C@H]3CCCN3C(=O)Cn3c(C)cc(C)nc3=O)n2)n1 72375462 GTLCIDNZBIWZET-LJQANCHMSA-N 418.501 3.066 0 40 HGAB C[C@@H]1C[C@H]1C(=O)N1CCC(c2nc3c(c(=O)[nH]2)CN(CC2CCCCC2)CC3)CC1 72398736 DJNQQKJQDPXHIO-VQIMIIECSA-N 412.578 3.070 0 40 HGAB Cc1ccccc1[C@H](C)NC(=O)Nc1cc(C2CC2)nn1[C@@H]1CCS(=O)(=O)C1 84234812 MSRPTAKCEKHBED-GOEBONIOSA-N 402.520 3.311 0 40 HGAB Nc1ccc(Cl)nc1C(=O)OCC(=O)Nc1c(F)cc(F)cc1Br 84425343 CGGIVLOTTPKHOP-UHFFFAOYSA-N 420.597 3.153 0 40 HGAB C[C@@](O)(CNS(=O)(=O)c1c[nH]c2ncccc12)C(c1ccccc1)c1ccccc1 95461898 PXPKVMCETMFPPH-HSZRJFAPSA-N 421.522 3.424 0 40 HGAB COc1ccc(NC(=O)[C@H]2Oc3c(c(=O)oc4ccccc34)[C@H]2c2cnn(C)c2)cc1 96115383 AYFMTDZYYFTSKZ-NQIIRXRSSA-N 417.421 3.067 0 40 HGAB biogenic COc1ccccc1OCCN1C[C@H](C(=O)Nc2cccc3ncccc23)CC1=O 96230695 CTYWVZCVUIDNGQ-MRXNPFEDSA-N 405.454 3.109 0 40 HGAB COc1cc([C@@H]2SCC(=O)Nc3c2c(O)nn3[C@H]2CCOC(C)(C)C2)ccc1O 96232773 UESWMFBPWASBHR-SJCJKPOMSA-N 419.503 3.208 0 40 HGAB COc1ccc(Br)c(C(=O)N2CCC(S(=O)(=O)CC(C)C)CC2)c1 96374391 LBMXBQYJZWSLTC-UHFFFAOYSA-N 418.353 3.133 0 40 HGAB COc1cc(/C=C2/N=C(c3ccccc3C)OC2=O)ccc1OCC(=O)N1CCCC1 97987600 SVADGNOFQWDJFY-CPNJWEJPSA-N 420.465 3.349 0 40 HGAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)CCNS(=O)(=O)c1ccc(Br)cc1 104175028 XHTOWJGWJPZOIX-DVOMOZLQSA-N 417.369 3.058 0 40 HGAB CC(=O)N1CCc2ccccc2[C@H]1CC(=O)NCC1(c2ccccc2)CCOCC1 106165471 REOQWOLMOJVKOU-HSZRJFAPSA-N 406.526 3.387 0 40 HGAB CC[C@H](C)NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(OC)cc1 113937912 YGMUKRKTESGNEE-AWEZNQCLSA-N 410.923 3.459 0 40 HGAB CC[C@H](NC(=O)CCN1C(=O)c2ccccc2S1(=O)=O)c1ccc(C)cc1C 219671702 APBLGEXRNULTGM-SFHVURJKSA-N 400.500 3.106 0 40 HGAB CC[C@@H]1CCCCN1CCCNC(=O)c1ccc(N2CCCCS2(=O)=O)cc1 224381741 RPIAWLPQGYHSMK-LJQANCHMSA-N 407.580 3.001 0 40 HGAB COc1ccccc1OCC(=O)N(CCc1ccccc1)[C@@H](C)C(=O)NCC(C)C 224484450 FCOBUUJFQAAUSI-IBGZPJMESA-N 412.530 3.306 0 40 HGAB C[C@H](CNC(=O)CCCN(c1ccc(F)cc1F)S(C)(=O)=O)c1ccccc1 224812111 NGKGKLKQFCHQNG-OAHLLOKOSA-N 410.486 3.431 0 40 HGAB COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccn(C)c2)cc1 225229166 WWJMLVXVAHPILW-RTWAWAEBSA-N 421.526 3.182 0 40 HGAB FC(F)(F)c1cccc(N2CCN(C3CCN(Cc4cccnc4)CC3)CC2)n1 245174459 YNFNOZSQNYQEFM-UHFFFAOYSA-N 405.468 3.282 0 40 HGAB CN(Cc1ccc(OCc2ccccn2)cc1)C[C@@]1(O)CCN(c2ccc(F)cn2)C1 257200445 ADJHPNMTZBMAQS-DEOSSOPVSA-N 422.504 3.268 0 40 HGAB CNC(=O)C(=O)Nn1c(C(=O)Nc2ccc(Cl)cc2)cc2cc(Cl)ccc21 408605408 KBXLMBGDXJFKFN-UHFFFAOYSA-N 405.241 3.017 0 40 HGAB Cc1ccccc1N1C[C@H](C(=O)Oc2ccc(N3C(=O)CCCC3=O)c(C)c2)CC1=O 408667052 PYHJQJOQLONUJR-QGZVFWFLSA-N 420.465 3.305 0 40 HGAB CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)NC[C@H](O)c2ccccc2)cc1 408725782 HSNBWEOIEYALTD-QFIPXVFZSA-N 424.522 3.116 0 40 HGAB COc1ccc([C@@H]2[C@H](NC(=O)c3ccccc3)C(=O)N/[N+]2=C\c2ccc(C)cc2)cc1 409059608 SMHAFNGUVCRNNG-HFXBMHRVSA-O 414.485 3.020 0 40 HGAB COc1cccc(-n2nc(C)c([C@H]3COCCN3C(=O)CC3(O)CCCC3)c2C)c1 501158948 GFKIPOBSGXPQER-HXUWFJFHSA-N 413.518 3.093 0 40 HGAB Cc1ccnc(C(=O)N[C@@H]2CCCN(c3c(C)cc(Br)cc3C)C2=O)n1 553287852 OUGLYUOMYALBHD-OAHLLOKOSA-N 417.307 3.090 0 40 HGAB COc1ccc(C)cc1NC(=O)CN1C[C@@H](c2ccccc2)[C@@]2(CCCC(=O)N2)C1 585262205 QBTCGPYRYXMGDH-YADARESESA-N 407.514 3.080 0 40 HGAB Cc1cnc(Nc2nccnc2[C@@H]2CCCN2C(=O)/C=C/c2c(C)nn(C)c2C)s1 585293156 YJRWAYDWFRPFBU-OZSKJFCKSA-N 423.546 3.712 0 40 HGAB Cc1ccccc1-n1cc([C@H]2NC(=N)Nc3nc4cc5c(cc4n32)OCCCO5)cn1 639406959 OTCZWUYJXRDSHH-FQEVSTJZSA-N 415.457 3.188 0 40 HGAB COC(=O)c1sc2ncn(Cc3ccc(C(=O)OC(C)C)cc3)c(=O)c2c1C 646223 CKBVPWGBYKUGEE-UHFFFAOYSA-N 400.456 3.167 0 40 HGAB COc1ccc(OC)c(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)c1 791780 FCZNFOJBMFBRLO-INIZCTEOSA-N 418.515 3.052 0 40 HGAB CCc1ccc(-n2c(=O)c3cc4c(=O)n(-c5ccc(CC)cc5)c(=O)c4cc3c2=O)cc1 1027488 KKVOFAJBVQHDQL-UHFFFAOYSA-N 424.456 3.016 0 40 HGAB O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1)N1CCOCC1 1112531 MHCQRSCBYNILHQ-MDZDMXLPSA-N 404.426 3.320 0 40 HGAB Cc1ccc(OC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc1C 1424022 VVGFDEFPDJRZRH-UHFFFAOYSA-N 409.891 3.197 0 40 HGAB CCCn1c(SCC(=O)N2CCN(c3ccccc3)CC2)nc2ccccc2c1=O 3363886 ZVRLHIOYYYHMPP-UHFFFAOYSA-N 422.554 3.247 0 40 HGAB COc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)OCC(=O)N2CCCC2)c1 3454806 NPMJZKFCDWUNRS-UHFFFAOYSA-N 423.444 3.466 0 40 HGAB COCCNC(=S)N(Cc1cccs1)Cc1cc2cc(C)ccc2[nH]c1=O 4134098 FBVVJDCOKQYIKC-UHFFFAOYSA-N 401.557 3.421 0 40 HGAB CC(=O)c1cccc(NC(=O)[C@@H](C)OC(=O)C[C@@H]2Sc3ccccc3NC2=O)c1 4539807 XNJHLOJFCMQTTR-ACJLOTCBSA-N 412.467 3.263 0 40 HGAB COCCNc1nnc(SCC(=O)Nc2c(C)nn(-c3ccccc3)c2C)s1 5078552 WOBANPRKAWOWLL-UHFFFAOYSA-N 418.548 3.130 0 40 HGAB Cc1cc(O[C@@H](C)C(=O)N(Cc2ccco2)[C@@H]2CCS(=O)(=O)C2)ccc1Cl 5155885 GBBRRTDDGCLIBU-LSDHHAIUSA-N 411.907 3.225 0 40 HGAB N=c1c2c(ncn1CCCN1CCOCC1)Oc1cc(O)ccc1[C@@H]2c1ccccc1 5219256 QRNMKPDJCRZKOT-NRFANRHFSA-N 418.497 3.076 0 40 HGAB COc1ccc(Nc2nc(S)c(N(O)c3ccc(Cl)cc3)nnc2=O)cc1 5423340 NAVJPROXSLSWPC-UHFFFAOYSA-N 403.851 3.453 0 40 HGAB Cc1cc(NC(=O)[C@@H](C)SCC(=O)OCC(=O)c2c(C)[nH]c3ccccc23)no1 6361105 IDDDOJJOOCXIST-CYBMUJFWSA-N 415.471 3.259 0 40 HGAB O=C(OCC(=O)N1CCCCC1)c1cc(-c2ccccc2)c(N2CCOCC2)s1 7015139 XMMXFCNFDLOJDX-UHFFFAOYSA-N 414.527 3.421 0 40 HGAB CCOc1ccccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccc(C)c(C)c2)C1 8039006 PIYPLHPTLAIDKI-QGZVFWFLSA-N 410.470 3.237 0 40 HGAB COC(=O)c1c(NC(=O)Cn2cnc3sccc3c2=O)sc2c1CC[C@@H](C)C2 8244368 ZQLPVUCCCFAJTR-SNVBAGLBSA-N 417.512 3.070 0 40 HGAB O=C(NCCc1ccc(F)cc1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl 8264425 YSYKTSPJXVURGU-UHFFFAOYSA-N 410.898 3.236 0 40 HGAB COc1ccc(CN(C)C(=O)c2cccc(S(=O)(=O)NC(C)(C)C)c2)cc1F 8327494 CJEDSTPRUSZQPB-UHFFFAOYSA-N 408.495 3.183 0 40 HGAB CCN(CC)C(=O)[C@@H](Sc1nnc(Cc2ccccc2F)n1N)c1ccccc1 8395327 NGHWDNINTCVWHU-IBGZPJMESA-N 413.522 3.424 0 40 HGAB Cc1ccccc1NC(=O)COC(=O)c1cccc(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)c1 8410763 CFQMPOHUCUMNEN-RTBURBONSA-N 420.465 3.470 0 40 HGAB C[C@H](c1ccccc1)N1C[C@@H](C(=O)N(C)Cc2cnn(Cc3ccccc3)c2)CC1=O 8709530 CIASXGPDBVAAEM-XXBNENTESA-N 416.525 3.500 0 40 HGAB O=C(O)c1ccccc1C(=O)Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1 8722796 WRHVKWCXBNWCGT-UHFFFAOYSA-N 410.451 3.116 0 40 HGAB Cc1ccc(N2C[C@@H](CNS(=O)(=O)c3cccc(C(F)(F)F)c3)CC2=O)cc1 9037103 CXVBOXLJYWQGKJ-CQSZACIVSA-N 412.433 3.345 0 40 HGAB O=C(CCN1C(=O)S/C(=C/c2ccccc2Cl)C1=O)NCCCn1ccnc1 9187642 YSYFJRXWZUHDCA-FOWTUZBSSA-N 418.906 3.169 0 40 HGAB CCOc1ccc(NC(=O)CSc2nc3[nH]ncc3c(=O)n2-c2ccccc2)cc1 9490131 HCRLQXPIYZEFIE-UHFFFAOYSA-N 421.482 3.238 0 40 HGAB COc1ccc(Cc2nnc3n2N=C(c2ccccc2)[C@H](CC(=O)O)S3)cc1OC 9578623 BSAJSIBDORGBSP-KRWDZBQOSA-N 424.482 3.088 0 40 HGAB COc1ccc(CN(C)C(=O)[C@@H](C)N(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1 10370661 SWBBPAMFJRXSCD-OAHLLOKOSA-N 424.950 3.470 0 40 HGAB Cc1csc2nc(CN3C(=O)N[C@](C)(c4ccc(C(C)(C)C)cc4)C3=O)cc(=O)n12 10537775 NMXMDCLQZWSGPE-JOCHJYFZSA-N 424.526 3.329 0 40 HGAB O=C(COC(=O)CCc1nc(-c2ccc(F)cc2)no1)Nc1cccnc1Cl 10613494 FRUXFXGSBZILSG-UHFFFAOYSA-N 404.785 3.039 0 40 HGAB O=C(CN1CCC(O)(c2ccccn2)CC1)NC(c1ccccc1)c1ccccc1 12114529 NDDPWFOLTAZWBB-UHFFFAOYSA-N 401.510 3.271 0 40 HGAB O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]21)NC1(c2ccc(F)cc2)CCCC1 12155440 HQOVSXMDUKMUBF-AOIWGVFYSA-N 405.539 3.437 0 40 HGAB CN(C)CC(C)(C)CNC(=O)C1(C[C@H]2CC(c3ccc(F)cc3)=NO2)CCOCC1 12156895 DREGAQBMOZYUKD-LJQANCHMSA-N 419.541 3.210 0 40 HGAB Cc1ccn(CCC(=O)N2CCC[C@H](n3nnc4cc(C(F)(F)F)ccc43)C2)n1 12184886 CUONPQVNBKACLR-HNNXBMFYSA-N 406.412 3.209 0 40 HGAB C[C@@H](NC(=O)CCn1nc(-c2cccs2)oc1=O)c1ccc(-n2ccnc2)cc1 12547650 KXFVJCIVGNRWQU-CQSZACIVSA-N 409.471 3.018 0 40 HGAB CCc1ccccc1NC(=O)CN(C)C(=O)[C@@H](C)N1CCN(c2cccc(C)c2)CC1 12563153 SAOZPVPRQGDMSV-HXUWFJFHSA-N 422.573 3.165 0 40 HGAB CCN(c1ccc(NC(=O)c2ccc(S(=O)(=O)NCCOC)cc2)cc1)C(C)C 12587293 YNZIWACZCVBMKT-UHFFFAOYSA-N 419.547 3.098 0 40 HGAB COc1cccc(NCC(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)c1 12588324 PYGIRLJIIZAERA-UHFFFAOYSA-N 417.531 3.311 0 40 HGAB O=C(NCc1ccc(Cn2cccn2)cc1)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 12626562 ZBMGWKTXSWPJLP-NRFANRHFSA-N 420.488 3.239 0 40 HGAB COc1cc(Br)c(OC)c(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)c1 12762259 UHQVPVSYGVDKOS-HNNXBMFYSA-N 419.319 3.471 0 40 HGAB CC(=O)N1CCc2cc(C(=O)[C@@H](C)OC(=O)c3ccc(N4CCCC4=O)cc3)ccc21 13000810 MLKUGIRPOXNKMO-OAHLLOKOSA-N 420.465 3.151 0 40 HGAB O=C(CO)N1CCC[C@H](c2cc3nc(-c4cccs4)cc(C(F)(F)F)n3n2)C1 13266478 IUWFZUPJQHUHHC-NSHDSACASA-N 410.421 3.175 0 40 HGAB COc1cccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccc(O)cc4)[C@H]3C2=O)c1 13659278 BQIMYQISQAQYDN-FSSWDIPSSA-N 416.433 3.452 0 40 HGAB Cc1cc(C(=O)COC(=O)c2ccc(Cn3cncn3)cc2)c(C)n1-c1nccs1 14148338 XTRRRWSUKKMXAD-UHFFFAOYSA-N 421.482 3.230 0 40 HGAB CNC(=S)N1CCc2cc(OC)c(OC)cc2[C@@H]1Cc1ccc(OC)c(OC)c1 16189327 QEIXXQGWXVWCNF-KRWDZBQOSA-N 416.543 3.367 0 40 HGAB CN(CCOc1ccc(Br)cc1)CC(=O)N1CCc2ccccc2C1 16695697 UBHYPEQRCUFAEF-UHFFFAOYSA-N 403.320 3.345 0 40 HGAB COc1ccc(CCNC(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1OC 17117055 RUGOKUWMCYVSNK-UHFFFAOYSA-N 403.910 3.432 0 40 HGAB Cc1cc(C(F)(F)F)nc(SCC(=O)NC[C@H](C)n2nc(C)c(C)c2C)n1 19118851 QAEPDIZAAHOLBZ-JTQLQIEISA-N 401.458 3.395 0 40 HGAB Cc1ccc(C(C)C)c(OCCNC(=O)CN2C(=O)N[C@@]3(CCCC[C@H]3C)C2=O)c1 19134367 RFVYAHAEOWIJMR-UZUQRXQVSA-N 415.534 3.114 0 40 HGAB CCn1cc(S(=O)(=O)N2CCC(c3nc(C)n4c(C)c(C)sc34)CC2)c(C)n1 19524627 GUALYZGHOIWBPN-UHFFFAOYSA-N 421.592 3.414 0 40 HGAB NC(=O)c1[nH]c([C@H]2CCCN(C(=O)COc3ccc(F)cc3)C2)nc1-c1ccccc1 19698948 JQCATCXCLVTVIB-INIZCTEOSA-N 422.460 3.100 0 40 HGAB CNC(=O)c1ccc(-c2ccc(CNC(=O)COc3ccc(F)cc3)cc2)nc1C 19700589 JDYATYROBFAUMS-UHFFFAOYSA-N 407.445 3.251 0 40 HGAB O=C(NCCSCc1ccccc1)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 19868736 GWFIJKQAOZICRD-QGZVFWFLSA-N 424.613 3.198 0 40 HGAB CN(C)S(=O)(=O)c1ccc(OCC(=O)Nc2ccc(F)c(C(F)(F)F)c2)cc1 20021491 JKFMATPOPGZCJG-UHFFFAOYSA-N 420.384 3.112 0 40 HGAB COC(=O)c1ccc(OCc2noc(C(=O)NCc3ccc(Cl)cc3)n2)cc1 20731369 KHVODESIOPVKBI-UHFFFAOYSA-N 401.806 3.019 0 40 HGAB CS(=O)(=O)N1C[C@@H](C(=O)Nc2ccc(Cl)cc2Cl)Oc2ccccc21 22529810 SQZWZJQVVLQMTA-HNNXBMFYSA-N 401.271 3.159 0 40 HGAB COc1ccc([C@@H](CNC(=O)c2c(F)cccc2Cl)N2CCN(C)CC2)cc1 22794404 BQKLGSFHAHUAOF-LJQANCHMSA-N 405.901 3.206 0 40 HGAB COc1ccc(S(=O)(=O)N(C)CCCC(=O)N[C@@H](C)c2ccccc2C)cc1 23184852 CCEWIIVRPAMYMO-KRWDZBQOSA-N 404.532 3.282 0 40 HGAB O=C(CN1C(=O)COc2ccc(Cl)cc21)N1CCC(c2nc3ccccc3[nH]2)CC1 25846576 ZIRGHDFURGXJKN-UHFFFAOYSA-N 424.888 3.348 0 40 HGAB O=C(NC[C@@H](c1cccs1)N1CCOCC1)c1ccc(Br)s1 29841703 XINDQEXYRWVGOL-NSHDSACASA-N 401.351 3.375 0 40 HGAB CN(C(=O)[C@@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1)c1ccccc1 30858193 SMHMMQDMOPMRFP-HXUWFJFHSA-N 400.544 3.324 0 40 HGAB CCN(C(=O)CN(Cc1ccccc1)c1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 32836205 WCZKGCIVTSKZIU-NRFANRHFSA-N 400.544 3.037 0 40 HGAB Cc1ccc(C)c(NC(=O)[C@@H](OC(=O)CCN2C(=O)CCC2=O)c2ccccc2)c1 32860323 LVXDKHXTSJNIIZ-QFIPXVFZSA-N 408.454 3.066 0 40 HGAB CN(C)C(=O)CSc1ccccc1C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 32911490 SIGKCDQRXFTHQF-LJQANCHMSA-N 411.571 3.261 0 40 HGAB C[C@H]1CCCN(Cc2ccc(CNC(=O)CCNC(=O)Cc3ccccc3)cc2)C1 32930081 WNMMZDNOMBXDHQ-FQEVSTJZSA-N 407.558 3.284 0 40 HGAB C[C@H](C(=O)Nc1ccccc1-c1ccccc1)N1CCN(C(=O)[C@H]2CCCO2)CC1 33039547 ARWARIRIZMKRDT-XMSQKQJNSA-N 407.514 3.004 0 40 HGAB Cc1cccc(-c2nsc3c(=O)n(CC(=O)Nc4ccc5c(c4)OCO5)cnc23)c1 33300180 DDIOUVCZLRIVRC-UHFFFAOYSA-N 420.450 3.196 0 40 HGAB CCc1ccc([C@H](CNC(=O)C[C@@H](NC(N)=O)c2ccccc2Cl)N(C)C)cc1 36748066 UJXZBKJSNGALAL-UXHICEINSA-N 416.953 3.421 0 40 HGAB Cn1cc(C(=O)N2CCCC2)cc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)c1=O 38486393 CAHAPPRJKFJKAI-UHFFFAOYSA-N 417.893 3.071 0 40 HGAB O=C(Cn1cc(/C=C2\NC(=S)N(c3ccccc3)C2=O)c2ccccc21)NC1CC1 39556819 CXCSKAJYRLZIQJ-UNOMPAQXSA-N 416.506 3.182 0 40 HGAB O=C(COc1ccccc1CNC(=O)c1ccc(F)cc1Cl)NC[C@H]1CCCO1 40119474 XSMFPABZTOCNTJ-MRXNPFEDSA-N 420.868 3.083 0 40 HGAB CC(C)COc1ccc(C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)cn1 40134481 VHOUQJCYNHHANW-UHFFFAOYSA-N 405.501 3.382 0 40 HGAB O=C(CS(=O)(=O)C12CC3CC(CC(C3)C1)C2)Nc1ccc2c(c1)OC(F)(F)O2 40152176 YYRPHYMIVARZFC-UHFFFAOYSA-N 413.442 3.330 0 40 HGAB COc1ccc(CNC(=O)Cn2c(C)nc3c(sc4nc(C)cc(C)c43)c2=O)cc1 49004080 HOUQFJPDGXFBPO-UHFFFAOYSA-N 422.510 3.256 0 40 HGAB CCn1c(=O)[nH]c2cc(C(=O)Oc3ccc(C4SCCS4)cc3)ccc2c1=O 53148497 HWKUULBVWDZPJP-UHFFFAOYSA-N 414.508 3.408 0 40 HGAB COc1ccc(-c2cc(C(=O)Nc3ccc(N4CCOCC4)cc3)n[nH]2)c(OC)c1 57477094 ABCUXUFRQZNMQS-UHFFFAOYSA-N 408.458 3.183 0 40 HGAB Nc1nc(SCC(=O)N2N=C3/C(=C\c4ccco4)CCC[C@@H]3[C@@H]2c2ccco2)n[nH]1 61945293 MVXYVZRYAOLSFW-IJSVIJOASA-N 424.486 3.488 0 40 HGAB COC(=O)/C(=C\Nc1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(Cl)cc1 67340306 HZWAVHIWPQWKCW-GZTJUZNOSA-N 411.863 3.257 0 40 HGAB O=C(Nc1ccc(Oc2ccc(F)cc2)nc1)c1ccccc1CN1C(=O)CNC1=O 72281669 LXQZIBGBKJRHRO-UHFFFAOYSA-N 420.400 3.317 0 40 HGAB Cc1cc(Nc2ncccc2C)cc([C@@H]2CCCN(CCC(=O)N3CCOCC3)C2)n1 72374863 XVGBFDDQVYPTIF-HXUWFJFHSA-N 423.561 3.265 0 40 HGAB CC(C)NC(=O)[C@@]1(Cc2ccc(-c3cccnc3)cc2)CN(C(=O)C(C)C)CCO1 72389177 IAFSSYCRMKOCQM-XMMPIXPASA-N 409.530 3.069 0 40 HGAB O=C(CNC(=O)N1CCN(c2ccc(Cl)cc2)CC1)Nc1ccccc1Cl 72401754 GJHRQTUPVODACT-UHFFFAOYSA-N 407.301 3.464 0 40 HGAB CC(C)(C)OC(=O)N[C@H]1CCCCCC[C@H]1C(=O)NCCCNc1ncccn1 79098859 PXADLSXYRAIJGM-SJORKVTESA-N 405.543 3.259 0 40 HGAB COCCOc1cccc(C(=O)N[C@@H](C)[C@@H](O)c2ccc(Br)cc2)c1 89598495 MSLQUCMTPWAJFO-SCLBCKFNSA-N 408.292 3.326 0 40 HGAB Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)Cn1cnc2c(N3CCCC3)ncnc21 95398733 HHHNEQHBECAFDC-SFHVURJKSA-N 409.534 3.472 0 40 HGAB O=C(c1cn(Cc2ccccc2)nn1)N1CCC[C@@H](c2n[nH]c(-c3ccccc3)n2)C1 95993302 RDPYZIDDZFHFDS-LJQANCHMSA-N 413.485 3.131 0 40 HGAB CN1CCN(C(=O)C[C@H]2CC3(CCN(Cc4ccncc4)CC3)c3ccccc32)CC1 96052946 PPMBBXHBSPQWDT-QFIPXVFZSA-N 418.585 3.267 0 40 HGAB CC[C@H](C(=O)NCCCc1ccc(OC)cc1)N(c1cccc(C)c1)S(C)(=O)=O 220516352 NOIPDWKLYCLGEB-OAQYLSRUSA-N 418.559 3.297 0 40 HGAB CC[C@@H](C(=O)Nc1ccccc1C(=O)OC)N(c1cc(C)ccc1C)S(C)(=O)=O 220531856 MQTFIFCGDFLBID-SFHVURJKSA-N 418.515 3.273 0 40 HGAB CC(C)Oc1cccc(CNC(=O)c2cc(N(C)S(C)(=O)=O)ccc2Cl)c1 222499484 JRDXFLVRRQGMMV-UHFFFAOYSA-N 410.923 3.453 0 40 HGAB Cc1ccc(C)c([C@H](C)NS(=O)(=O)c2nnc(NC(=O)c3ccccc3)s2)c1 223589415 TVORCXLISVSQQV-AWEZNQCLSA-N 416.528 3.447 0 40 HGAB Cc1cc(C)cc(OCCNC(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)c1 224063113 RKOQMNARVHELON-UHFFFAOYSA-N 418.559 3.388 0 40 HGAB CC[C@H](C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)COc1ccccc1OC 225421052 PKEBLZCMUNCDEE-OALUTQOASA-N 412.530 3.449 0 40 HGAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCC(C)(C)C)C2)cc1Cl 226050708 FSAQPPCPJABTLN-CQSZACIVSA-N 416.971 3.302 0 40 HGAB COc1ccc(S(=O)(=O)NC[C@H](c2ccoc2)N2CCSCC2)cc1Cl 240122723 WIHLIYJXYWLRHR-MRXNPFEDSA-N 416.952 3.010 0 40 HGAB COc1ccc(F)c(CN2[C@H]3CC[C@H]2c2cnc(N4CCC[C@@H](CO)C4)nc2C3)c1 247890952 MTOIFXRAIVQWJT-ZWWNWMABSA-N 412.509 3.095 0 40 HGAB CCn1nc(C)c(NC(=O)[C@@H]2C[C@H]3CC[C@H]2C[C@]32NC(=O)c3ccccc3O2)c1C 249697486 UUURFQVKLVZAMA-MERUMYRGSA-N 408.502 3.413 0 40 HGAB CO[C@H]1CCN(CC(=O)Nc2nc(-c3ccc(C)cc3)cs2)C[C@@]12CCCO2 257227778 FQVRUBBBBPLZKC-RXVVDRJESA-N 401.532 3.327 0 40 HGAB COCCN1CC=CC[C@@H](C2CCN(C(=O)c3cc(Cl)ccc3OC)CC2)C1=O 257244084 IJUBBGXFKSABJZ-SFHVURJKSA-N 420.937 3.252 0 40 HGAB COc1cccc(-c2cncc([C@@H]3CN(CC(=O)Nc4ccc(F)cc4)CCO3)n2)c1 257317186 VISDCQLKDBBGAI-QFIPXVFZSA-N 422.460 3.303 0 40 HGAB C[C@]12CC[C@@](O)(CN3CC3)C[C@@H]1CC[C@H]1[C@@H]3CC[C@@](O)(CN4CC4)[C@@]3(C)CC[C@H]12 257345104 KDZDNXAVYMXPKT-GGEJKPOYSA-N 402.623 3.123 0 40 HGAB COc1ncccc1CN1CCN(C)[C@@H](c2cn3c(-c4ccncc4)cccc3n2)C1 306129198 HXHYXCIZJLGZMO-JOCHJYFZSA-N 414.513 3.289 0 40 HGAB CNC(=O)C(=O)Nn1c(C(=O)Nc2cccc(Cl)c2C)cc2cc(Cl)ccc21 408603845 HGZRPGXPLIXZNW-UHFFFAOYSA-N 419.268 3.325 0 40 HGAB CC(=O)Nc1cccc(NC(=O)CN(c2ccc(Cl)cc2C)S(C)(=O)=O)c1 408628604 ZGXVBQJQECGOGA-UHFFFAOYSA-N 409.895 3.012 0 40 HGAB Cc1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccc(F)cc3)[C@@H]2c2ccccc2)cc1 409052399 DOUKIGIQNHZFPB-WXUIRWOTSA-O 402.449 3.150 0 40 HGAB CCOc1cccc(/C=C2\SC(=O)N(CC(=O)N3CCCC[C@H]3C)C2=O)c1O 409214120 WCEAUSOOQOUHKV-YYTPVVGHSA-N 404.488 3.228 0 40 HGAB Cc1cccc2c(CCC(=O)Nc3ccc(C(=O)N4CCN(C)CC4)cc3)c[nH]c12 525539662 MSRIMQJPKOGEDC-UHFFFAOYSA-N 404.514 3.435 0 40 HGAB O=S(=O)(NC[C@](O)(c1ccccc1)C1CCOCC1)c1cccc2ccccc12 575612043 JXEUMUFSGWLSLN-QHCPKHFHSA-N 411.523 3.433 0 40 HGAB CCN(CC)C(=O)CSc1nnc2c3cc(Br)ccc3n(C)c2n1 1366210 JKDRGTJNVZTCJZ-UHFFFAOYSA-N 408.325 3.240 0 40 HGAB Cc1cc(O[C@@H](C)C(=O)NCCCCCC(=O)O)c2c3c(c(=O)oc2c1)CCC3 2102155 MMALLEVOGHZDKX-AWEZNQCLSA-N 401.459 3.119 0 40 HGAB biogenic COCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccc(OC)c(OC)c1 2236963 NBQJPGAPFZONLO-HXUWFJFHSA-N 409.438 3.392 0 40 HGAB COC(=O)[C@](O)(c1ccc(NC(=O)c2cccc(F)c2)c(OC)c1)C(F)(F)F 2275918 XGHOUHREUBHFCJ-QGZVFWFLSA-N 401.312 3.010 0 40 HGAB Cc1ccc(-c2nn(C)c(=O)c3ccccc23)cc1CNS(=O)(=O)c1ccccc1 2391723 PLPHCFRJZQJLRS-UHFFFAOYSA-N 419.506 3.387 0 40 HGAB O=C(CSc1nnc(NC(=O)[C@H]2COc3ccccc3O2)s1)c1ccccc1 2594755 JXHRBLZSRRWQFW-MRXNPFEDSA-N 413.480 3.292 0 40 HGAB O=C1N[C@]2(CCc3ccccc32)C(=O)N1Cc1cc(=O)oc2cc3c(cc12)CCC3 3516748 IJNMJIGYTRECEG-DEOSSOPVSA-N 400.434 3.175 0 40 HGAB COc1ccc(Cl)cc1NC(=O)CN1C(=O)N[C@](C)(c2ccccc2Cl)C1=O 3593759 VKYNAEVNVWWEHS-LJQANCHMSA-N 422.268 3.408 0 40 HGAB O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)Nc1c(Cl)cccc1Cl 3594950 GTGKYTGMHKYTJH-IBGZPJMESA-N 404.253 3.325 0 40 HGAB COc1ccc(NC(=O)c2ccc(OC)c(S(=O)(=O)N3CCCC3)c2)cc1Cl 3615754 ZLXHWCQTLGBNEU-UHFFFAOYSA-N 424.906 3.394 0 40 HGAB CCS(=O)(=O)N1CC(=O)Nc2ccc(Br)cc2[C@H]1c1ccccc1 3656783 CMQBZIUYENCEJD-QGZVFWFLSA-N 409.305 3.142 0 40 HGAB NC(=O)CSc1nnc(CNc2cccc(Cl)c2)n1CCc1ccccc1 4167412 GAJIWVOIDXVOSX-UHFFFAOYSA-N 401.923 3.364 0 40 HGAB CCOC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccccc3C(=O)OC)o2)C1=O 4526096 RBPRGLXCWZONMK-MHWRWJLKSA-N 415.423 3.333 0 40 HGAB Cc1cccc(S(=O)(=O)Nc2ccc(-c3ccc(N4CCOCC4)nn3)cc2)c1 5144807 DLYXEXHUPUKKQM-UHFFFAOYSA-N 410.499 3.089 0 40 HGAB Cc1cc(C(=O)CN2C(=O)N[C@@](C)(c3cc(F)ccc3F)C2=O)c(C)n1C1CC1 5218917 WKCFXGSRYGTKIW-NRFANRHFSA-N 401.413 3.368 0 40 HGAB COc1ccc(N2C[C@H](C(=O)OCC(=O)c3ccc(Cl)cc3)CC2=O)c(OC)c1 5535480 QVKGGRPXCKHHOX-CQSZACIVSA-N 417.845 3.136 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=S)NC(=O)C2CCCC2)c1 5560411 QBYKETKJKJAJGO-UHFFFAOYSA-N 417.984 3.374 0 40 HGAB Cc1c(Cl)cccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1 7295786 WVNUXJKLWNWPST-CYBMUJFWSA-N 404.825 3.322 0 40 HGAB COC(=O)[C@@H]1CN(S(=O)(=O)c2cc(Cl)ccc2Cl)c2ccccc2O1 7306329 OQPNYSOKSPBVBK-AWEZNQCLSA-N 402.255 3.123 0 40 HGAB Cc1ccccc1-c1n[nH]c(SCC(=O)N2CCN(c3ccc(F)cc3)CC2)n1 7342020 PWWVYZOXBQFWSC-UHFFFAOYSA-N 411.506 3.360 0 40 HGAB Cc1cc2oc(=O)cc(COC(=O)Cc3csc(N4CCCC4=O)n3)c2cc1C 7569666 OZZPGYKWZRDPME-UHFFFAOYSA-N 412.467 3.279 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc(Cl)c3)CC2)cc1 7599969 VTLQGCDSVJZXTL-UHFFFAOYSA-N 408.907 3.388 0 40 HGAB CCOc1cc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCOC)ccc1O 8254246 CUUXFJSNMYQYKI-HXUWFJFHSA-N 409.438 3.397 0 40 HGAB Cn1c(SCC(=O)Nc2nnc(-c3cccs3)s2)nnc1-c1ccncc1 8383003 QVGBHRHHPQAGGR-UHFFFAOYSA-N 415.529 3.188 0 40 HGAB CN(Cc1ccccc1)S(=O)(=O)c1nnc(NC(=O)c2cccc(Cl)c2)s1 8588165 VTJBYCJCRKCWMX-UHFFFAOYSA-N 422.919 3.265 0 40 HGAB COc1cccc(NC(=O)CSc2nc(CC(=O)NCc3ccco3)cs2)c1 8850958 UYPVMGNURHVBGI-UHFFFAOYSA-N 417.512 3.334 0 40 HGAB O=C(CCN1C(=O)S/C(=C\c2cccc(F)c2)C1=O)NCCc1ccc(O)cc1 9215876 BWECHIGTAOFWGF-AQTBWJFISA-N 414.458 3.317 0 40 HGAB COc1ccc2oc(C(=O)OCC(=O)N(C)CC(=O)Nc3ccc(C)cc3)c(C)c2c1 9463331 IAVUUPWGEVRBIJ-UHFFFAOYSA-N 424.453 3.312 0 40 HGAB COC(=O)c1ccc2c(=O)[nH]c(COC(=O)/C=C/c3nc4ccccc4s3)nc2c1 9464255 ISVNELOMTXKNAA-CMDGGOBGSA-N 421.434 3.076 0 40 HGAB O=C(Nc1nc(CC(=O)N2CCN(c3ccccc3F)CC2)cs1)c1ccccc1 9573699 FCHDZSKULVGRFM-UHFFFAOYSA-N 424.501 3.426 0 40 HGAB CCCN(CC(=O)Nc1ccccc1C)C(=O)COC(=O)c1sc(C)nc1C 10143597 XPHFRBWVBCLAFU-UHFFFAOYSA-N 403.504 3.102 0 40 HGAB CN(Cc1ccc(OC(F)F)cc1)C(=O)NCc1cccc(NS(C)(=O)=O)c1 10362079 XHBYVMVRAVFAFS-UHFFFAOYSA-N 413.446 3.001 0 40 HGAB O=C(CN1CCC(NC(=O)COc2ccc3ccccc3c2)CC1)Nc1ccccc1 11525971 VAJXEWQMEVBLOT-UHFFFAOYSA-N 417.509 3.438 0 40 HGAB CO[C@@H]1CCC[C@@H](C(=O)N2CCC(n3nc(-c4cccs4)ccc3=O)CC2)C1 12129331 QDUXROIHHVYKRZ-NVXWUHKLSA-N 401.532 3.341 0 40 HGAB Cc1nc(-c2ccc(CNC(=O)c3cccc(S(=O)(=O)N(C)C)c3)cc2)cs1 12733381 URNPFAWMXZYFCC-UHFFFAOYSA-N 415.540 3.299 0 40 HGAB CCc1ccc([C@H](CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(C)=O)N(C)C)cc1 12745562 PILMHKQQMRAWJD-ZEQRLZLVSA-N 420.557 3.197 0 40 HGAB Cc1ccccc1C(=O)N1CCC(C(=O)O[C@H](C)C(=O)NC2CCCCC2)CC1 12811036 KWRXCYYPKBTRSH-QGZVFWFLSA-N 400.519 3.228 0 40 HGAB COc1cccc(NC(=O)CSc2nc3ccccc3n2CC(=O)N2CCCC2)c1 12882190 DVTYESCDYGMRNM-UHFFFAOYSA-N 424.526 3.398 0 40 HGAB Cc1ccc(NC(=O)C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)c(O)c1 13000941 GQBWJERPZMMPSC-UHFFFAOYSA-N 420.395 3.012 0 40 HGAB O=C(CCS(=O)(=O)c1ccccc1)Nc1ccc(-c2nnc3n2CCCCC3)cc1 13097009 JMTDAENZHKTEHU-UHFFFAOYSA-N 424.526 3.474 0 40 HGAB COc1ccccc1NC(=O)C[C@H]1C(=O)Nc2nc(SCc3ccccc3)nn21 13722281 GRLTWKISMWAQRW-HNNXBMFYSA-N 409.471 3.101 0 40 HGAB COc1ccc(N2C[C@@H](c3nnc(NC(=O)c4ccc(F)cc4)s3)CC2=O)cc1 13944280 HAAKJVPKQUOYNZ-ZDUSSCGKSA-N 412.446 3.459 0 40 HGAB O=C(c1ccc(-c2ccc(F)cc2)o1)N1CCN(S(=O)(=O)c2ccccc2)CC1 14187423 IXVRHBCMKTVKTQ-UHFFFAOYSA-N 414.458 3.232 0 40 HGAB COc1ccc([C@@H](CNC(=O)Cc2c(C)nn(-c3ccccc3)c2C)N(C)C)cc1 14201488 UBFIMBZCQKENJE-HSZRJFAPSA-N 406.530 3.459 0 40 HGAB Cc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)c(Cl)c1 14861453 OLFZBEZNHARQGG-UHFFFAOYSA-N 408.907 3.230 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(CCC(=O)Nc2cccc(NC(C)=O)c2)cc1 16644103 FAVOJODLOZWVMP-UHFFFAOYSA-N 417.531 3.247 0 40 HGAB O=C(NC(=S)Nc1cccc(NC(=O)c2ccco2)c1)c1ccc2c(c1)OCCO2 17093531 YCXGNMWZBHRRGZ-UHFFFAOYSA-N 423.450 3.430 0 40 HGAB Cc1cc(-c2cnc(NC(C)C)nc2C2CCN(C(=O)c3ccnn3C)CC2)on1 19123135 IDCLUFUFOVPLIS-UHFFFAOYSA-N 409.494 3.014 0 40 HGAB O=C(Cc1ccccc1)N[C@H](c1ccccn1)[C@@H]1CCCN(C(=O)c2cnsc2)C1 19370338 MKEIJQNMPZBSBF-GCJKJVERSA-N 420.538 3.491 0 40 HGAB OCCn1ncc(-c2ccnc(N3CCCC3)n2)c1[C@@H]1CCCN1C1CCCCC1 19404183 JHCUHAXMIYPFTE-NRFANRHFSA-N 410.566 3.402 0 40 HGAB CCc1noc(C)c1C(=O)N1CCC[C@H](c2cc(N(C)C)nc(-c3ccncc3)n2)C1 19521207 IKSXQWZHVNIXOY-KRWDZBQOSA-N 420.517 3.483 0 40 HGAB Cc1ncsc1-c1nnc([C@H]2CCCN2S(=O)(=O)c2ccc(F)c(F)c2)o1 19563087 QDIYTYZGHHSIBJ-CYBMUJFWSA-N 412.443 3.306 0 40 HGAB CN(C)c1ncc(-c2cccc(F)c2)c([C@H]2CCCN(C(=O)c3ccc(N)nc3)C2)n1 19694264 MXXKICQDENLQKF-KRWDZBQOSA-N 420.492 3.346 0 40 HGAB O=C(NC[C@@H](c1ccc2c(c1)OCO2)N1CCOCC1)c1ccc(C(F)(F)F)cc1 19819795 SQZWOXKNYQFBTC-KRWDZBQOSA-N 422.403 3.237 0 40 HGAB COc1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccccc3C)C2)c1 19857794 JFDSKYIQGFOTOH-QGZVFWFLSA-N 402.516 3.184 0 40 HGAB CC(C)NC(=O)c1ccccc1NC(=O)c1cc(NS(C)(=O)=O)ccc1Cl 20492853 IEMBIWMEMWPVST-UHFFFAOYSA-N 409.895 3.102 0 40 HGAB CC[C@@H](Oc1ccccc1F)C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 20568003 JOYDRKICNAAJMF-GOSISDBHSA-N 400.450 3.056 0 40 HGAB COc1ccc(-c2noc(CNS(=O)(=O)c3ccc(C(C)C)cc3)n2)cc1OC 22257058 VKCPTQWOTPMTBG-UHFFFAOYSA-N 417.487 3.356 0 40 HGAB Cc1cccc(C)c1NC(=O)CN1CCN([C@@H](C)C(=O)N(C)C2CCCCC2)CC1 22784066 SPABTXVXMBLNDW-FQEVSTJZSA-N 414.594 3.039 0 40 HGAB Cc1ccc([C@H](CNS(=O)(=O)c2ccc(Cl)s2)N2CCOCC2)cc1 23107993 NFDROIHTBTVRFQ-HNNXBMFYSA-N 400.953 3.062 0 40 HGAB O[C@@H](COCCOc1ccc(Cl)cc1)CN1CCN(c2ccccc2F)CC1 23224725 KFWDPBBIOWYIKR-GOSISDBHSA-N 408.901 3.058 0 40 HGAB O=C1O[C@@H](CC(=O)N2CCN(CCOc3ccc(Cl)cc3)CC2)c2ccccc21 23732092 HPRAFFYTVQHYBD-FQEVSTJZSA-N 414.889 3.165 0 40 HGAB COc1ccc([C@@H](CNC(=O)CCc2c[nH]c3ccccc23)N2CCOCC2)cc1 23846253 MNWNWRSAUYMIKV-HSZRJFAPSA-N 407.514 3.299 0 40 HGAB Cc1ccc(N2C[C@H](C(=O)O[C@H](C)C(=O)NCc3ccc(Cl)cc3)CC2=O)cc1 24077163 MIDOJDBSLDGDRZ-NVXWUHKLSA-N 414.889 3.249 0 40 HGAB CCOC(=O)N1CCC[C@H](C(=O)Nc2ccccc2C(=O)NCCc2ccccc2)C1 24833892 YPHYDLCRHFBFTL-IBGZPJMESA-N 423.513 3.466 0 40 HGAB COC(=O)C[C@@H](NC(=O)c1cnn(-c2ccccc2)c1C)c1ccc(OC)c(OC)c1 27157955 GAZMZVVZAMOCDV-LJQANCHMSA-N 423.469 3.232 0 40 HGAB O=C(N[C@H]1CCN(Cc2ccccc2)C1)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 32873760 SQLQDFGOPBPPBE-UNMCSNQZSA-N 409.505 3.069 0 40 HGAB COc1ccc(OC)c(CN2CCN(C(=O)NCC3(c4ccccc4)CC3)CC2)c1 32889701 WCFGOOIAEJCJPS-UHFFFAOYSA-N 409.530 3.263 0 40 HGAB CCC(CC)[C@@H](NS(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccccc1 32916477 CJLXADXBSVUVIK-HXUWFJFHSA-N 424.588 3.393 0 40 HGAB C[C@@]1(C2CC2)NC(=O)N(CC(=O)Nc2ccc3[nH]c(-c4ccc(F)cc4)nc3c2)C1=O 32931775 LWWXEZHVSVWUGO-QFIPXVFZSA-N 421.432 3.028 0 40 HGAB COc1ccc(OC)c(-c2cc(C(=O)N3CCN(C4CCCCC4)CC3)n(C)n2)c1 38488958 VHIIYPZNPOLDFF-UHFFFAOYSA-N 412.534 3.195 0 40 HGAB Cc1nn(C)c2[nH]c(=O)c(CCC(=O)N[C@@H](c3ccccc3)c3ccccn3)c(C)c12 40086794 BGBKLWWTBCXDTI-QFIPXVFZSA-N 415.497 3.112 0 40 HGAB COc1cc([C@H](C)NC(=O)c2ccccc2OCC(N)=O)ccc1OCC(C)C 40087554 AIRXQYBLXDJSIO-HNNXBMFYSA-N 400.475 3.085 0 40 HGAB COc1cccc(C(=O)NC2CCN(C(=O)[C@@H]3Cc4ccc(C)cc4S3)CC2)c1 40090963 YFGOTWJKUMFJTP-NRFANRHFSA-N 410.539 3.441 0 40 HGAB O=C(CCCC(=O)N1CCC(c2noc3ccc(F)cc23)CC1)Nc1nncs1 40285814 CFWQKQVBQFLAGT-UHFFFAOYSA-N 417.466 3.333 0 40 HGAB CCOc1ccc(-c2ccc(=O)n(CCC(=O)NCc3ccccc3OC)n2)cc1 41254345 XXHRCVRQDOMPDW-UHFFFAOYSA-N 407.470 3.024 0 40 HGAB O=C(NCc1nc(-c2ccc(Cl)cc2)cs1)c1cnc2sccn2c1=O 47476588 FNCGKPKFTQRKKB-UHFFFAOYSA-N 402.888 3.463 0 40 HGAB COc1cccc([C@@H](CNC(=O)N2CCc3cc(OC)c(OC)cc3C2)N(C)C)c1 53539902 UTGDQGPVGQATPM-HXUWFJFHSA-N 413.518 3.083 0 40 HGAB COc1cc(C(=O)N2CCC[C@@H](c3nc(C)no3)C2)cc(OC)c1Br 54662053 OSSSUWVTJMAOEK-LLVKDONJSA-N 410.268 3.178 0 40 HGAB C[C@H](Oc1ccc(C(=O)NCc2ccc(-n3cncn3)nc2)cn1)c1ccccc1 65547423 ZILLNVNEYVWIAY-INIZCTEOSA-N 400.442 3.127 0 40 HGAB Cc1nc(-c2ccccc2)n(CC(=O)Nc2ccc(Cl)cc2F)c(=O)c1CCO 67300251 PKKSJQBVNMGPJX-UHFFFAOYSA-N 415.852 3.185 0 40 HGAB COc1ccc(-c2csc(CCNS(=O)(=O)c3ccc(OC)cc3)n2)cc1 72264883 USAIMTYAQYBKJV-UHFFFAOYSA-N 404.513 3.348 0 40 HGAB CC(=O)N1CCc2c(nc([C@@H]3CCCN(C)C3)nc2NCCc2cccc(C)c2)C1 72373391 HABRQNJFNUTJER-HXUWFJFHSA-N 407.562 3.153 0 40 HGAB CNc1cc(Nc2nccc([C@@H]3CCCN(C(=O)c4ccc(F)cc4)C3)n2)ncn1 72377527 ZHKHLFBEFFQDNN-OAHLLOKOSA-N 407.453 3.211 0 40 HGAB Cc1ccc(N2C[C@@H](C(=O)N(c3ccc(C)cc3)[C@H]3C=CS(=O)(=O)C3)CC2=O)cc1 79052893 KWXKMJJVKJKTNS-RXVVDRJESA-N 424.522 3.000 0 40 HGAB C[C@@H](NCc1cnn([C@]2(C)CCS(=O)(=O)C2)c1)c1ccccc1Br 79108804 HYNKILQJRBXKIG-CXAGYDPISA-N 412.353 3.030 0 40 HGAB CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H](CCO)c2ccccc2)c1 84597167 IBLDHDHEJZDTCP-LJQANCHMSA-N 424.950 3.222 0 40 HGAB CC(C)(C)c1nc(-c2ccc(NC(=O)[C@@H]3CS[C@]4(C)CCC(=O)N34)cc2)no1 84674031 TYIZTQKQALKCIO-VBKZILBWSA-N 400.504 3.427 0 40 HGAB CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)CC2CCN(C(=O)OC(C)(C)C)CC2)C1 95427900 NPNVOCBOLJXQJB-INIZCTEOSA-N 411.543 3.149 0 40 HGAB Cc1csc([C@@H](NC(=O)Nc2ccc(F)c(S(=O)(=O)NC3CC3)c2)C2CC2)n1 95460708 FBTZBGCBXYHHCV-INIZCTEOSA-N 424.523 3.304 0 40 HGAB CCOc1cc(C(=O)NC[C@H](O)Cc2ccc(F)cc2F)cc(OCC)c1OCC 95940351 JYXQLHZZMFWTJD-QGZVFWFLSA-N 423.456 3.494 0 40 HGAB O=C(Cn1cccc1-c1nc(-c2ccc3c(c2)OCO3)no1)NCCc1ccccc1 98211494 NGDMOZGRUMMIBD-UHFFFAOYSA-N 416.437 3.293 0 40 HGAB O=C(O)c1cccc(NC(=O)[C@H]2[C@@H](C(=O)OCC(F)(F)C(F)F)[C@H]3C=C[C@H]2C3)c1 100073311 CWMYCMANGKNHFH-ZNIXKSQXSA-N 415.339 3.205 0 40 HGAB COc1cccc(CCNC(=O)[C@@H]2C[C@@H]3CC[C@@H]2C[C@@]32NC(=O)c3ccccc3N2)c1 100117825 IOZBHVINFLTJKN-ONFALJKLSA-N 419.525 3.342 0 40 HGAB CO[C@H]1CC[C@H](C(=O)N2Cc3nc4c(-c5ccccc5)c(C)nn4c(O)c3C2)CC1 100215247 WVASQNRBKMAWTE-CALCHBBNSA-N 406.486 3.458 0 40 HGAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 104202265 TZOKBTIMPLNCKU-BIENJYKASA-N 414.518 3.306 0 40 HGAB CCOc1ccc(N(CCCC(=O)NCc2ccc(C)cc2)S(C)(=O)=O)cc1 113962133 XDSINUORPFESBL-UHFFFAOYSA-N 404.532 3.256 0 40 HGAB CN(CC(=O)Nc1cc(-c2cccc(F)c2)[nH]n1)S(=O)(=O)c1ccc(Cl)cc1 223059980 SWIIRHQHOPKVFQ-UHFFFAOYSA-N 422.869 3.128 0 40 HGAB CC(C)Sc1nnc(NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)s1 223292329 LQRAIIVHKIMNJV-UHFFFAOYSA-N 424.573 3.139 0 40 HGAB CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)NCCOc2ccccc2)cc1 223747122 DNXFAGKNKNUDBU-UHFFFAOYSA-N 424.522 3.462 0 40 HGAB CC[C@@H](NC(=O)[C@@H](C)Oc1ccc(N(C)S(C)(=O)=O)cc1)c1ccc(OC)cc1 223767057 OZORYQPMDACXCN-FOIQADDNSA-N 420.531 3.126 0 40 HGAB Cc1ccc(CSCCNS(=O)(=O)c2ccc3c(c2)sc(=O)n3C)cc1 225672738 UFNWEIVRZBMTGH-UHFFFAOYSA-N 408.570 3.120 0 40 HGAB O=C(c1cc(O)nc(O)n1)N1CCC[C@@H](c2ncc(Cc3cccc(Cl)c3)o2)C1 257269696 MQZJCRKXNDQKRD-CYBMUJFWSA-N 414.849 3.140 0 40 HGAB Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)N[C@H](C)C(C)C)Oc3ccc(C)cc32)cc1 260908007 VYHICGBWFIZNGV-UTKZUKDTSA-N 416.543 3.420 0 40 HGAB CN1CCN(C(=O)Cc2ccccc2)C[C@H]1c1ncn2cc(-c3cccnc3)ccc12 306128110 GQEPJDYTICSNOV-QHCPKHFHSA-N 411.509 3.454 0 40 HGAB CC(C)CC(=O)Nc1cc2c(cc1N1CCN(c3ccccc3)CC1)n(C)c(=O)n2C 408529783 HWSYKGUEVORRFQ-UHFFFAOYSA-N 421.545 3.188 0 40 HGAB COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC(C(=O)NCCC(C)C)CC1 408701495 YVGBEGXQCJDSNV-UHFFFAOYSA-N 410.580 3.382 0 40 HGAB Cc1cc(C)c(-c2c3c(nc4c2c(=O)n(C)c(=O)n4C)-c2ccccc2[C@H]3O)c(C)c1 408981468 HRGHHEJIKTZFHK-JOCHJYFZSA-N 413.477 3.287 0 40 HGAB CN(C)CCOc1ccc(CN2CCC(O)(COc3ccccc3F)CC2)cc1 585273486 RVBZMOXMEAUCQL-UHFFFAOYSA-N 402.510 3.172 0 40 HGAB O=C(NCC(=O)N1CCC[C@@H](c2ncc(Cc3ccccc3)o2)C1)c1ccccc1 1848353260 ANVLSFWEUQCNDC-HXUWFJFHSA-N 403.482 3.401 0 40 HGAB O=c1c2ccccc2n(Cc2nc(-c3ccc(Cl)c(F)c3)no2)c(=O)n1C1CC1 1889286963 LHFCUASCTUVABN-UHFFFAOYSA-N 412.808 3.389 0 40 HGAB COc1ccc(C(=O)CSc2nnc(-c3cnccn3)n2Cc2ccco2)cc1 2370633 CLXLJCMGZNLUGO-UHFFFAOYSA-N 407.455 3.360 0 40 HGAB Cc1cc(C(C)(C)C)ccc1OC[C@H](O)CN[C@H](C)c1ccc(S(N)(=O)=O)cc1 2631282 ODDFIUJTAGTZCI-VQIMIIECSA-N 420.575 3.030 0 40 HGAB CCc1cccc2c(C(=O)COC(=O)c3ccc(=O)n(Cc4ccccc4)n3)c[nH]c12 3391429 NJTKQCFJKFJSNQ-UHFFFAOYSA-N 415.449 3.375 0 40 HGAB Cc1ccc(NC(=O)CSc2ncnc3c2nnn3Cc2ccc(F)cc2)cc1 4166429 DVOUVGIINOSPPH-UHFFFAOYSA-N 408.462 3.448 0 40 HGAB CCc1ccc(-n2c(SCC(=O)N3CCOCC3)nnc2-c2ccoc2C)cc1 4851810 RIPIYZPOVMIYGW-UHFFFAOYSA-N 412.515 3.349 0 40 HGAB CCOc1ccc(NC(=O)[C@@H]2CCCN(c3c(CC)c(C)nc4ncnn34)C2)cc1 4898134 JHAMDJLHPSYECA-MRXNPFEDSA-N 408.506 3.249 0 40 HGAB O=C(CSc1ccc(S(=O)(=O)N2CCCCC2)cn1)Nc1ccccc1F 5634507 VYBKVOKWYVNBHL-UHFFFAOYSA-N 409.508 3.126 0 40 HGAB Cc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3cc(Cl)ccc3C)CC2=O)cc1 6081712 MPEIBHIYKRNNTR-OAHLLOKOSA-N 400.862 3.492 0 40 HGAB C[C@H]1CCCCN1C(=O)Cn1cc(/C=C2/C(=O)N(C)C(=S)N2C)c2ccccc21 6275544 FREZCHHHNUZROW-CCRNYGKSSA-N 410.543 3.072 0 40 HGAB COc1ccccc1NC(=O)COc1ccc(S(=O)(=O)NC2CCCCC2)cc1 6584368 YWSFRSLQCPVPLM-UHFFFAOYSA-N 418.515 3.324 0 40 HGAB CCCCn1c(=O)[nH]c(=O)c2c1nc(COC(=O)c1cccs1)n2CCC(C)C 6653712 LOVOQCRWTYYKOM-UHFFFAOYSA-N 418.519 3.151 0 40 HGAB Cc1cc2oc(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc(=O)c2cc1C 6811386 JBRBPEONQRPILO-UHFFFAOYSA-N 403.438 3.460 0 40 HGAB Cc1cccc(N2N=C(C(=O)NC3CCN(Cc4ccccc4)CC3)CCC2=O)c1 6864024 ZJTXOKQJCJEFNR-UHFFFAOYSA-N 404.514 3.259 0 40 HGAB CC(C)C[C@@H](NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccccc1 7037018 BEJRRIFGUYZYLE-OAQYLSRUSA-N 416.543 3.225 0 40 HGAB Cn1c(CCC(N)=O)nnc1S[C@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1 7105051 SLIZELJCZCMSCF-NRFANRHFSA-N 419.510 3.431 0 40 HGAB CCN(CC(=O)Nc1ccc(N2CCCC2)cc1)CC(=O)Nc1ccccc1OC 7360328 QPZVTZGXZCSEOX-UHFFFAOYSA-N 410.518 3.195 0 40 HGAB CN(C)C(=O)[C@@H](OC(=O)c1ccc(Cl)c(N2CCCC2=O)c1)c1ccccc1 7377118 CLXBPARVEUTFDO-IBGZPJMESA-N 400.862 3.453 0 40 HGAB O=C(CNC(=O)c1ccc(C(F)(F)F)cc1)Nc1ccc(N2CCCC2=O)cc1 7640203 KGHPPKBJCKHQMV-UHFFFAOYSA-N 405.376 3.201 0 40 HGAB O=C(O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2)cc1 7882045 PTCKJDOFOQQHGN-GFCCVEGCSA-N 403.232 3.139 0 40 HGAB Cc1noc(C)c1CC(=O)Nc1ccccc1C(=O)NCc1ccc2c(c1)OCO2 7985139 XPBOYDYENMKFPS-UHFFFAOYSA-N 407.426 3.131 0 40 HGAB CSc1cccc(N2C[C@H](C(=O)Nc3ccc(N4CCN(C)CC4)cc3)CC2=O)c1 7988829 TXSQXJHTURZQCC-QGZVFWFLSA-N 424.570 3.152 0 40 HGAB CC[C@]1(c2ccc(C)cc2)NC(=O)N([C@H](C)C(=O)Nc2ccc(NC(C)=O)cc2)C1=O 8157395 SMTCETWMXIQQBF-IQMFZBJNSA-N 422.485 3.138 0 40 HGAB O=C(CN(c1ccncc1)S(=O)(=O)c1ccccc1)N1CCCc2ccccc21 8194279 SJPBYVZQLUWBDW-UHFFFAOYSA-N 407.495 3.256 0 40 HGAB O=C(CN1C(=O)NC2(CCCC2)C1=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1 8327466 VZEDYUKYXDFJAN-LJQANCHMSA-N 411.889 3.410 0 40 HGAB O=C(NCCSc1ccccc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 8361402 BSOPLXDNOQDNBJ-MRXNPFEDSA-N 422.547 3.135 0 40 HGAB CCN(CC)C(=O)CSc1nnc([C@@H](CCSC)NC(=O)OC(C)(C)C)o1 8602263 OFZVXBHQRSTPJD-GFCCVEGCSA-N 418.585 3.349 0 40 HGAB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)Cc1ccc(N2CCCC2=O)cc1 9053084 LAOLGYHKTVXCIC-UHFFFAOYSA-N 402.498 3.259 0 40 HGAB CCN(CC(=O)Nc1cccc(OC)c1)C(=O)COc1cccc(Br)c1 9119803 BBPBWLUAAFDGPR-UHFFFAOYSA-N 421.291 3.324 0 40 HGAB COc1ccc(-c2cc3c(=O)n(CC(=O)NCc4ccccc4Cl)ccn3n2)cc1 9321152 PUONJOLBMARQID-UHFFFAOYSA-N 422.872 3.141 0 40 HGAB Cc1ccc(NC(=O)c2ccc(NC3=N[C@@H]4CS(=O)(=O)C[C@@H]4S3)cc2)cc1F 9529882 MVEIJHVMGOZYHA-SJORKVTESA-N 419.503 3.067 0 40 HGAB COC(=O)c1sc2cccc(F)c2c1S(=O)(=O)Nc1ccc2c(c1)OCCO2 9646448 LBDDETRNVBMPTG-UHFFFAOYSA-N 423.443 3.399 0 40 HGAB COc1cn(CC(=O)Nc2cccc(C)c2C)c(CSc2ncccn2)cc1=O 10254879 SYKRLANSNHOMTK-UHFFFAOYSA-N 410.499 3.195 0 40 HGAB O=C(OCc1ccccn1)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1 11277241 GLRZXWUMSIGYSI-UHFFFAOYSA-N 408.479 3.186 0 40 HGAB C[C@@H]1CN(C[C@@H](Cc2ccccc2)C(=O)NCC(=O)O)CC[C@@]1(C)c1cccc(O)c1 11677127 UPNUIXSCZBYVBB-RQBNJVACSA-N 424.541 3.051 0 40 HGAB COc1ccccc1C1(NC(=O)CCCC[C@H]2SC[C@H]3NC(=O)N[C@@H]32)CCCC1 12155252 QSLXFXJIPLJSOQ-POAQFYNOSA-N 417.575 3.307 0 40 HGAB Cc1ccccc1COc1cn(CC(=O)NCc2ccc3c(c2)OCO3)c(C)cc1=O 12230733 QHPHDJAEIHNPCR-UHFFFAOYSA-N 420.465 3.089 0 40 HGAB COC(=O)c1sccc1S(=O)(=O)Nc1c(C)nn(-c2ccc(C)cc2)c1C 12544863 HECSLPZKVCCGBY-UHFFFAOYSA-N 405.501 3.446 0 40 HGAB COc1ccc(CCN(C)C(=O)CCCn2cnc3c(C)cccc3c2=O)cc1OC 12610498 HTHVGCCCMLTJSY-UHFFFAOYSA-N 423.513 3.203 0 40 HGAB CC(C)Cc1ccc([C@@H](C)NC(=O)c2cc(S(=O)(=O)NC(C)C)cn2C)cc1 12790295 JNZDOUUZGULLRR-MRXNPFEDSA-N 405.564 3.401 0 40 HGAB C[C@@H]1Cc2cc(C3=NN=C(Nc4ccccc4F)SC3)ccc2N1S(C)(=O)=O 12986115 XEGMIMQFIGRKGZ-GFCCVEGCSA-N 418.519 3.455 0 40 HGAB CCOC(=O)c1ccccc1NC(=O)[C@@H](CC)N(c1ccc(F)cc1)S(C)(=O)=O 13715251 CWSYMQCALSWPOO-GOSISDBHSA-N 422.478 3.186 0 40 HGAB CS(=O)(=O)NCCc1ccc(C(=O)Nc2ccc(-c3nccs3)cc2)s1 14084050 OYRKZRWOMYQKJX-UHFFFAOYSA-N 407.542 3.216 0 40 HGAB COc1ccccc1CC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 16070778 MRTOFPDIKBOFRE-UHFFFAOYSA-N 402.516 3.441 0 40 HGAB O=C(CN1CC[C@@H]2[C@H](C1)[C@@H](c1ccc(F)cc1)CN2C(=O)c1ccccc1)NC1CC1 19368935 DZQHRDGQUVMVBB-DNVJHFABSA-N 421.516 3.034 0 40 HGAB CC[C@H]1C[C@@H](C(F)(F)F)n2ncc(C(=O)NC[C@H](C)N3CCC(C)CC3)c2N1 19520885 WCGCQEJTTKUFCJ-DZKIICNBSA-N 401.477 3.431 0 40 HGAB COCc1nnc(NC(=O)c2cc(Cn3nc(C)cc3C)nc3ccccc23)s1 19574379 PSFZVCJLJBAVGY-UHFFFAOYSA-N 408.487 3.347 0 40 HGAB Cc1nn(C)cc1CN1CCC(C[C@@H]2CC(c3ccc(F)cc3)=NO2)(C(=O)O)CC1 19583749 PNXYNQUPEJGCLY-IBGZPJMESA-N 414.481 3.118 0 40 HGAB Cc1nc([C@H]2CCCCN2Cc2cnn(C)c2C)nc2c1CCC(=O)N2CC1CC1 19740852 MEAHWZNVDGRPKO-HXUWFJFHSA-N 408.550 3.243 0 40 HGAB O=C(COc1ccc(S(=O)(=O)Nc2ccccc2)cc1)NCc1ccc(F)cc1 20019946 YILLZSYVVYQARR-UHFFFAOYSA-N 414.458 3.322 0 40 HGAB CS(=O)(=O)N(CC(=O)NCc1ccc(F)cc1)c1ccc(Cl)cc1Cl 20104312 QTDJYVQWJMWKGI-UHFFFAOYSA-N 405.278 3.215 0 40 HGAB CC(C)[C@H](NC(=O)Cc1csc(-c2ccc(OC(F)(F)F)cc2)n1)C(=O)O 20744750 YLEZOMNYJIJFDK-AWEZNQCLSA-N 402.394 3.477 0 40 HGAB CC(C)(C)c1ccc(C(=O)NCCC(=O)N2CCN(Cc3ccccc3)CC2)cc1 21005056 LNKMJPGERXQCQW-UHFFFAOYSA-N 407.558 3.448 0 40 HGAB CCN(Cc1cccc(S(=O)(=O)N2CCOCC2)c1)Cc1ccc(Cl)s1 21300680 MNVOJESFIYFDPV-UHFFFAOYSA-N 414.980 3.445 0 40 HGAB COc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2ccc(Cl)cc2)c1 22229786 KCYXRBJQELJGEO-QGZVFWFLSA-N 408.907 3.449 0 40 HGAB COc1ccc(C)cc1N(CC(=O)N[C@H](C)c1ccc(C)c(C)c1)S(C)(=O)=O 22336479 NGGDHMRZKPIEPE-QGZVFWFLSA-N 404.532 3.264 0 40 HGAB CCN(C(=O)CN1CCN(CC(=O)Nc2c(C)cccc2C)CC1)C1CCCCC1 22796890 QJKSDYAVBLHGAI-UHFFFAOYSA-N 414.594 3.041 0 40 HGAB Oc1c([C@H](c2ccccc2F)N2CCOCC2)sc2nc(-c3ccco3)nn12 22852131 YBYGPASPHIUAMG-HNNXBMFYSA-N 400.435 3.317 0 40 HGAB O=C(COc1ccc2ccccc2c1)Nc1ccc(NC(=O)CN2CCOCC2)cc1 23078984 CDQHNQPEMDXGIE-UHFFFAOYSA-N 419.481 3.128 0 40 HGAB CCCn1c(=O)[nH]c(=O)c2cc(C(=O)N[C@H](C)c3ccc4ccccc4c3)cnc21 30397658 NXMUZEOUUGBJCE-CQSZACIVSA-N 402.454 3.139 0 40 HGAB Cc1nn(C)c2ncc(NC(=O)C3CCN(C(=O)c4ccc(F)cc4F)CC3)cc12 30805372 JEXFIIPIDWHJDV-UHFFFAOYSA-N 413.428 3.046 0 40 HGAB Cc1cc(I)cnc1NC(=S)NC(=O)c1cccc(F)c1 32125333 JXFZHSUCHCMWKA-UHFFFAOYSA-N 415.231 3.261 0 40 HGAB C[C@H]1c2ccsc2CCN1C(=O)CCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 32823534 XSCGBKJKXGNWHQ-AWEZNQCLSA-N 419.510 3.249 0 40 HGAB CCc1ccc(CNC(=O)[C@@H](NC(=O)c2cc(OC)cc(OC)c2)C(C)C)s1 32930289 YFKKQAVJYVDVEV-IBGZPJMESA-N 404.532 3.399 0 40 HGAB CNC(=S)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1cc2cccc(C)c2[nH]c1=O 35313550 LXCDYQPLJAXWEZ-OAQYLSRUSA-N 423.538 3.306 0 40 HGAB CS(=O)(=O)c1ccc2nc(NC(=O)Cc3csc(-n4cccc4)n3)sc2c1 36708379 KRKFVNMZGZWPHC-UHFFFAOYSA-N 418.525 3.128 0 40 HGAB CN1CCN(C(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@@H](c2ccc(F)cc2)N3)CC1 38177100 KJCNWIBVQCNNPG-HOCLYGCPSA-N 411.403 3.070 0 40 HGAB CC1CCN(CCNC(=O)[C@@H](NC(=O)C23CC4CC(CC(C4)C2)C3)C(C)C)CC1 40108076 ZONZAERYUVJOFV-PQCJFMQRSA-N 403.611 3.192 0 40 HGAB O=C(Nc1ccccc1Cl)c1nn(-c2ccccc2)c2c1CS(=O)(=O)CC2 41070511 ZRNHTLCZNAJNMK-UHFFFAOYSA-N 401.875 3.249 0 40 HGAB CS(=O)(=O)c1ccccc1C(=O)Nc1ccc(S(=O)(=O)C2CCCC2)cc1 48339971 SGPBWCKZXPTYPY-UHFFFAOYSA-N 407.513 3.059 0 40 HGAB C[C@H](C(=O)Nc1cccc(NC(=O)c2cc(-c3cccnc3)on2)c1)n1cccn1 48354880 VZWMDKCOXQVKFI-CQSZACIVSA-N 402.414 3.385 0 40 HGAB CSc1cccc(NC(=O)Cn2nc3c(Oc4ccccc4C)nccn3c2=O)c1 49008601 XGBPENZYWGVRGT-UHFFFAOYSA-N 421.482 3.352 0 40 HGAB Cc1ccc(-n2cc(C(=O)N3CCC(NC(=O)c4ccccc4C)CC3)nn2)cc1C 49406312 CJMWLGZMTRLILI-UHFFFAOYSA-N 417.513 3.227 0 40 HGAB O=C(Cn1c(=O)n(-c2ccccc2)c(=O)c2sccc21)N[C@@H]1CCc2ccccc21 57428949 NCCVRAWQAMZNIM-GOSISDBHSA-N 417.490 3.018 0 40 HGAB CCCN(CCC)C(=O)Cn1c(=O)n(-c2cc(F)cc(F)c2)c(=O)c2sccc21 57428997 PKJRHWGYJZTRRV-UHFFFAOYSA-N 421.469 3.141 0 40 HGAB O=C(Cn1cccc1-c1nc(-c2ccc3c(c2)OCO3)no1)NCc1ccccc1F 57487108 MUPMVUWQZCKJMW-UHFFFAOYSA-N 420.400 3.389 0 40 HGAB CC(C)C[C@H](C(=O)Nc1nc2c(s1)C(=O)CCC2)N1C(=O)c2ccccc2C1=O 60362211 RLXDHOCILPLUSE-OAHLLOKOSA-N 411.483 3.312 0 40 HGAB COc1ccc(-c2cc3nn(CC(=O)Nc4c(C)cccc4C)c(=O)n3c(C)n2)cc1 65196645 UWPBNHIEAHTUKT-UHFFFAOYSA-N 417.469 3.131 0 40 HGAB O=C(c1n[nH]nc1Nc1cccc(Cl)c1)N1CCN(c2ccccc2F)CC1 67284688 XZVGUAXHWMDBHT-UHFFFAOYSA-N 400.845 3.303 0 40 HGAB CCc1ccccc1NC(=O)Cn1c(-c2ccc(F)cc2)nc(C)c(CCO)c1=O 67300883 VSBULXYDKSLTFO-UHFFFAOYSA-N 409.461 3.094 0 40 HGAB O=C(c1ccc(-c2ccc3c(c2)OCCO3)s1)N1CCN(C[C@@H]2CCCO2)CC1 69292071 MURVINHHRURTJU-KRWDZBQOSA-N 414.527 3.123 0 40 HGAB O=C(Cn1nc(-c2ccccc2Cl)ccc1=O)NCCn1ccc2ccc(F)cc21 72400779 DZOUKYRXDFBUMG-UHFFFAOYSA-N 424.863 3.474 0 40 HGAB CCOc1nc(N2CCC(NC(=O)C3CCCCC3)CC2)ncc1Br 79092208 YRALQBIBTMPRFW-UHFFFAOYSA-N 411.344 3.303 0 40 HGAB COCCNC(=O)[C@H](CC(C)C)Nc1cc(C(F)(F)F)nc(-c2ccccn2)n1 89856466 IBTPGPSPZPCRNY-AWEZNQCLSA-N 411.428 3.147 0 40 HGAB COc1ccc(-c2nnc(CN3C(=O)N[C@](C)(c4cc5ccccc5o4)C3=O)o2)cc1 89917176 ADRMQZZIJMDQNY-JOCHJYFZSA-N 418.409 3.459 0 40 HGAB C[C@@H]1CCCC[C@@H]1OCCNC(=O)CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O 95350860 MGXOEKKMSXHYIG-BZNIZROVSA-N 413.301 3.301 0 40 HGAB CCOc1ccccc1S(=O)(=O)N1CCC(c2nnc(C(F)(F)F)o2)CC1 96340605 DUCWEAIUWRHQGS-UHFFFAOYSA-N 405.398 3.055 0 40 HGAB C[C@@]1(CO)CCCN1S(=O)(=O)c1csc(-c2ccc(Br)cc2)n1 97104241 HUCRDRFSBRWWFN-HNNXBMFYSA-N 417.350 3.108 0 40 HGAB COC(=O)Cn1/c(=N/C(=O)COc2ccc(Cl)cc2)sc2cc(F)ccc21 100876446 KHMMBOAEUQFHPT-UZYVYHOESA-N 408.838 3.175 0 40 HGAB CN(C)S(=O)(=O)c1ccccc1CNC(=O)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2 102675373 CUWOZCXTTDHGHK-SNEKZUEESA-N 410.967 3.131 0 40 HGAB COc1cc([C@@H]2CC(c3c(O)oc(C)cc3=O)=NCCS2)cc(OC)c1OC 137815757 NLFRVEKCOFEQGO-KRWDZBQOSA-N 405.472 3.347 0 40 HGAB CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)NC[C@H](O)c1ccc(C(F)(F)F)cc1)C(=O)C2 206713845 LGRUIIKWNKKPMZ-RLFYNMQTSA-N 419.465 3.054 0 40 HGAB COc1ccc(S(=O)(=O)N[C@H](C)c2ccc(C)c(C)c2)cc1N1CCCC1=O 219229313 USDALIGUCXVYMQ-MRXNPFEDSA-N 402.516 3.478 0 40 HGAB COc1cccc(N([C@@H](C)C(=O)N[C@@H](C)c2ccc(C)c(C)c2)S(C)(=O)=O)c1 220185203 ADYXWEYGWXRAOL-IRXDYDNUSA-N 404.532 3.344 0 40 HGAB CC[C@@H](C(=O)NCCCc1ccccc1OC)N(c1ccccc1F)S(C)(=O)=O 220601277 AMLZZVQWSKHNRW-SFHVURJKSA-N 422.522 3.128 0 40 HGAB COCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1cccc(C(=O)O)c1 223022770 VYYIHEKARVCQKW-VQTJNVASSA-N 422.510 3.189 0 40 HGAB Cc1cc(C)cc(N(CC(=O)NCCOc2ccc(C)c(Cl)c2)S(C)(=O)=O)c1 224129205 SGGYDEOYSBYDTJ-UHFFFAOYSA-N 424.950 3.226 0 40 HGAB COc1ccccc1OC[C@H](C)NS(=O)(=O)c1ccc(SC)c(NC(C)=O)c1 224213011 UDDRZNXYTGWOQX-ZDUSSCGKSA-N 424.544 3.121 0 40 HGAB Cc1ccc(CS(=O)(=O)N2CCC(C(=O)NC[C@H](C)c3ccccc3)CC2)cc1 224351499 NOUXYUXXKXMOLK-IBGZPJMESA-N 414.571 3.457 0 40 HGAB CCCc1ccc(OCCNC(=O)CCCN(c2ccccc2)S(C)(=O)=O)cc1 224626143 MZHFGZUQCUGSFD-UHFFFAOYSA-N 418.559 3.381 0 40 HGAB CC[C@H](C)NC(=O)c1ccc(OC)c(CN(c2ccc(F)cc2)S(C)(=O)=O)c1 224754941 JUEGDCYWVJDNRS-AWEZNQCLSA-N 408.495 3.329 0 40 HGAB COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc[nH]2)cc1C 225260857 STFFNLZAOJHHJV-SFTDATJTSA-N 421.526 3.480 0 40 HGAB COc1cccc2c1OC1(CCN(C(=O)Cn3cc(C)cn3)CC1)[C@H]1CCCO[C@H]21 257212304 CCTKLNSXUITZOJ-GHTZIAJQSA-N 411.502 3.122 0 40 HGAB COc1ccccc1C(=O)N1CCN(C)C(=O)[C@@H]1Cc1cccc(-c2cccnc2)c1 257233411 GPDWGPYADYTKGI-QFIPXVFZSA-N 415.493 3.283 0 40 HGAB CCN(c1ccc(C(=O)N[C@H](C)COc2ccc(OC)cc2)cc1)S(=O)(=O)CC 260511937 SZGFWAMKWOOENT-MRXNPFEDSA-N 420.531 3.069 0 40 HGAB Cc1cnc(C(=O)N[C@H]2CCCC[C@@]23CN(Cc2ccc4[nH]ccc4c2)CCO3)cn1 306125167 CIFZPOIZLDEIOL-LADGPHEKSA-N 419.529 3.210 0 40 HGAB COc1cc(OC(F)(F)F)ccc1CN1CC(F)(F)C[C@]2(CCCNC2=O)C1 306127886 GJVUAKKBNWMLCP-MRXNPFEDSA-N 408.367 3.331 0 40 HGAB CSc1ccccc1NC(=O)COc1ccc(S(=O)(=O)NC(C)C)cc1C 408534535 SVVBCBUPRJKFQL-UHFFFAOYSA-N 408.545 3.421 0 40 HGAB COc1ccc(C2=NN(C(=O)CCc3ccccc3O)[C@@](O)(C(F)(F)F)C2)cc1 408562741 BBADXEXLWPTBJU-IBGZPJMESA-N 408.376 3.221 0 40 HGAB CCOc1ccc(C(=O)N[C@H](C)c2ccccc2)cc1S(=O)(=O)N1CCCC1 408696629 CRMVNUZOJLFKBX-MRXNPFEDSA-N 402.516 3.361 0 40 HGAB Cc1ccc([C@H]2c3c(n(C)c(=O)n(C)c3=O)N=C3c4ccccc4C(=O)[C@H]32)c(C)c1C 408733151 FHMOCZCUZCYEDM-MOPGFXCFSA-N 413.477 3.088 0 40 HGAB Cn1c(CNC(=O)c2ccccc2)nnc1SCC(=O)Nc1cccc(Cl)c1 409351571 VDQMFYKETOFMBI-UHFFFAOYSA-N 415.906 3.129 0 40 HGAB O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)CC1CCCC1)c1cccs1 513931990 QBBNJJVKMDZLKZ-MOPGFXCFSA-N 400.544 3.147 0 40 HGAB Cn1cc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)cc(Br)c1=O 531279290 UHEQPUYQVKJJLZ-UHFFFAOYSA-N 412.092 3.255 0 40 HGAB CCC[C@H](N)C(=O)N1CCC2(CCCCc3ccccc3OCCCNC2=O)CC1 643557080 WCSUOMSBEDQGLE-FQEVSTJZSA-N 415.578 3.034 0 40 HGAB O=C1C[C@@H]2CCN(C(=O)COc3ccccc3)C[C@@H]2CCOc2ccc(F)cc2N1 1534646384 IUXVMJAGTMLKIY-IRXDYDNUSA-N 412.461 3.481 0 40 HGAB O=C(N[C@H]1CCN(c2cc(-c3ccccc3)[nH]n2)C1)c1ccc(Br)o1 1888982132 VVDGCTNSYAVWLY-ZDUSSCGKSA-N 401.264 3.441 0 40 HGAB COc1ccc(Cl)cc1Nc1nc(NCc2ccco2)nc(N2CCOCC2)n1 910007 HQOROHMIPWWMMU-UHFFFAOYSA-N 416.869 3.319 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Oc2ccc3c(c2)OCO3)c1 2618183 KUJFUVHIUUOWHD-UHFFFAOYSA-N 411.863 3.318 0 40 HGAB CC(C)c1ccccc1-n1c(S[C@H](C)C(=O)NC(N)=O)nnc1-c1cccnc1 2620616 FHGOVPCTCDKOTC-CYBMUJFWSA-N 410.503 3.128 0 40 HGAB O=C1COc2ccc(C(=O)COC(=O)c3cc(Br)ccc3Cl)cc2N1 3308959 DOHYLXWMAPBJKH-UHFFFAOYSA-N 424.634 3.473 0 40 HGAB CN(Cc1ccccc1)C(=O)CN1C(=O)N[C@](C)(c2ccc(C(C)(C)C)cc2)C1=O 3386940 GPBYXQCTNVZEQN-XMMPIXPASA-N 407.514 3.410 0 40 HGAB CC(=O)Nc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)cc1 3462601 YCSVBZLCEIUPLA-UHFFFAOYSA-N 401.488 3.072 0 40 HGAB Cc1cc(=O)oc2c3c(cc(OCC(=O)NCc4ccncc4)c12)OC(C)(C)CC3 4000467 OROWBXRNPAFEHJ-UHFFFAOYSA-N 408.454 3.295 0 40 HGAB biogenic C[C@@H](NC(=O)C(=O)c1cn(CC(=O)N2CCCC2)c2ccccc12)c1ccccc1 4272089 KGVHQSCQFRFHOR-QGZVFWFLSA-N 403.482 3.324 0 40 HGAB Cc1ccc(-c2nc3scc(CCNS(=O)(=O)c4cccs4)n3n2)cc1 4479875 YGOPBOBYJGYANA-UHFFFAOYSA-N 404.542 3.349 0 40 HGAB CCOC(=O)c1ccc(N2CCN(C(C)=O)CC2)c(NC(=O)c2cccc(C)c2)c1 4712224 CRWJNWKJDAMOLY-UHFFFAOYSA-N 409.486 3.093 0 40 HGAB COc1ccc(Cc2nnc(SCC(=O)Nc3c(C)cc(C)cc3C)n2N)cc1 4916525 FQOMBABKIZVZGN-UHFFFAOYSA-N 411.531 3.247 0 40 HGAB CC(C)c1ccc(CN(C(=O)COc2ccccc2)[C@@H]2CCS(=O)(=O)C2)cc1 5119890 RBCWBLAHTKDORK-HXUWFJFHSA-N 401.528 3.405 0 40 HGAB CCCCNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(OC)c(C)c1 6656329 NNXAAHZVJCWQGG-UHFFFAOYSA-N 404.532 3.111 0 40 HGAB CCCNC(=O)[C@H]1Sc2nnc(-c3ccccc3)n2N[C@H]1c1ccc(OC)cc1 6721066 MCCDMPJJWFASHC-ROUUACIJSA-N 409.515 3.239 0 40 HGAB CCC[C@H](C)NC(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccccc1 6946383 XEHNVVKTFXXIGS-INIZCTEOSA-N 420.531 3.204 0 40 HGAB COc1ccccc1C(=O)N[C@@H](CCSC)C(=O)N[C@H]1CCOc2ccccc21 7217272 NMDOTXYHBLDLAL-ROUUACIJSA-N 414.527 3.187 0 40 HGAB O=C(Cn1nnc(-c2ccc(Br)cc2)n1)N1CC[C@H]2CCCC[C@@H]2C1 7337135 WONAKPJRMKTXNM-UKRRQHHQSA-N 404.312 3.141 0 40 HGAB O=C(c1cc2ccccc2o1)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 8326758 GRDYUCUGLVLHSX-UHFFFAOYSA-N 402.447 3.109 0 40 HGAB C[C@@H]1CCC[C@H](N2C[C@H](C(=O)NCc3ccc(Cn4cccn4)cc3)CC2=O)[C@@H]1C 8724443 LBZCQCOUJVPURL-YHBROIRLSA-N 408.546 3.221 0 40 HGAB CCOc1cc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCC(=O)O)ccc1O 8867817 ZNOVYKCIKMFJAQ-HXUWFJFHSA-N 423.421 3.307 0 40 HGAB CC[C@@H](C)Nc1nnc(SCC(=O)NCC(=O)Nc2cccc(C)c2C)s1 9256098 GMLSFQSRIADNIK-GFCCVEGCSA-N 407.565 3.212 0 40 HGAB O=C(Nc1nc(CC(=O)N2CCN(c3ccc(F)cc3)CC2)cs1)c1ccccc1 9573700 YVGFTOZDTNIZLW-UHFFFAOYSA-N 424.501 3.426 0 40 HGAB COc1cccc(C(=O)CSc2nnc([C@H](C)NC(=O)c3ccccc3)n2C)c1 9615008 QZPPEWXECIBEFL-AWEZNQCLSA-N 410.499 3.290 0 40 HGAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)Cc1cc(Cl)c2c(c1)OCCO2 10441454 LHIUIDBGWQCXKJ-UHFFFAOYSA-N 421.833 3.096 0 40 HGAB Cc1cc(-c2cncnc2[C@@H]2CCCN(C(=O)Cc3ccc4c(c3)OCO4)C2)on1 12118399 SNOPFXXLDBEXSD-MRXNPFEDSA-N 406.442 3.117 0 40 HGAB Cc1nn(C)cc1S(=O)(=O)NCC[C@]1(Cc2ccccc2)CCOC(C)(C)C1 12238914 DFAWEFDARQNYJY-OAQYLSRUSA-N 405.564 3.215 0 40 HGAB COCCn1c(C)c(C)c(S(=O)(=O)c2ccc(OC)cc2)c1NC(=O)C(C)C 12388925 FSTQQLWNIKLVKK-UHFFFAOYSA-N 408.520 3.187 0 40 HGAB CCOC(=O)c1cnc(S[C@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)nc1N 12557526 GSQDKZVBUMSTAR-SECBINFHSA-N 414.409 3.374 0 40 HGAB CCOc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2cc(OC)ccc2OC)cc1 12708521 PKERVYTUEJQACN-FQEVSTJZSA-N 411.458 3.369 0 40 HGAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)C(=O)c1ccc(OC(F)F)cc1 12810268 CDQJHZBVHVEFOK-ZDUSSCGKSA-N 417.412 3.124 0 40 HGAB Cc1cc(C)c(C)c(S(=O)(=O)N(C)c2ccc(OCC(=O)N(C)C)cc2)c1C 12885620 ZBZBFLPBFBOOOP-UHFFFAOYSA-N 404.532 3.212 0 40 HGAB CSc1cccc(N2C[C@@H](C(=O)O[C@H](C(=O)NC3CC3)c3ccccc3)CC2=O)c1 12943400 HNUPMLIFGFBNEV-KKSFZXQISA-N 424.522 3.325 0 40 HGAB CNC(=O)c1cccc(NC(=O)COC(=O)c2ccc3[nH]c4c(c3c2)C[C@@H](C)CC4)c1 13005221 SDTIPFKZTNAOKH-AWEZNQCLSA-N 419.481 3.448 0 40 HGAB COC(=O)c1cc(Br)ccc1S(=O)(=O)Nc1c(F)cccc1F 14201125 HXENYXWNXQJDJZ-UHFFFAOYSA-N 406.204 3.315 0 40 HGAB O=C(C[C@H]1Sc2ccc(Cl)cc2NC1=O)NC[C@H]1COc2ccccc2O1 14254741 PDTOROJZEQMHMY-YVEFUNNKSA-N 404.875 3.099 0 40 HGAB CC(C)N(Cc1ccccc1)C(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1Cl 15858248 FWFZJKFNHMJZIB-UHFFFAOYSA-N 420.918 3.457 0 40 HGAB O=C(/C=C/c1ccco1)Nc1nnc(S(=O)(=O)Cc2ccc(Cl)cc2)s1 17028369 VRSAKYGPNKHGEJ-BQYQJAHWSA-N 409.876 3.410 0 40 HGAB COc1cc(C(=O)N(C)Cc2ccccc2N2CCOCC2)ccc1OC(F)F 17813943 YAZXJRKGGAGODM-UHFFFAOYSA-N 406.429 3.405 0 40 HGAB CNC(=O)[C@@]1(Cc2ccc(-c3ccc(F)cc3)cc2)CN(C(=O)C(C)(C)C)CCO1 19081447 WXJYCUZORNZUDW-XMMPIXPASA-N 412.505 3.425 0 40 HGAB CN(C)C(=O)[C@]1(Cc2ccc(-c3cccnc3)cc2)CN(C(=O)C(C)(C)C)CCO1 19081453 MZXOMMBDAATQJT-DEOSSOPVSA-N 409.530 3.023 0 40 HGAB Cn1cc(CN2CCC([C@H](NC(=O)c3cccc(F)c3)c3ccccn3)CC2)cn1 19290648 ZJENLBLFPAZOOI-QFIPXVFZSA-N 407.493 3.338 0 40 HGAB COCc1ccc(C(=O)N2CCC[C@H]([C@@H]3C[C@H](C(F)(F)F)n4ncnc4N3)C2)cc1 19594409 AFRIXBJEDHGVAB-YESZJQIVSA-N 423.439 3.265 0 40 HGAB CNC(=O)C1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)[C@@H]2CCCO2)CC1 19700312 ZBJXLBNQPYKANO-QFIPXVFZSA-N 406.526 3.430 0 40 HGAB CNC(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CCN(C(=O)Cc2ccccc2)C1 19703406 IFKQPRBVNQNZMF-XMMPIXPASA-N 403.482 3.092 0 40 HGAB COCC(=O)N1CCC[C@](O)(c2nc(C)c(CCOc3ccc(F)cc3)s2)CC1 19738698 SEPODYCIAFGSDT-OAQYLSRUSA-N 422.522 3.059 0 40 HGAB CS(=O)(=O)N(CC(=O)N[C@@H]1CCCc2ccccc21)Cc1ccc(Cl)cc1 20014240 DLEOPRQKHXXBIU-LJQANCHMSA-N 406.935 3.295 0 40 HGAB O=C(NCCCc1ccc(F)cc1)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 20458522 HQOFJEBZDDWWIJ-MRXNPFEDSA-N 410.536 3.037 0 40 HGAB COc1ccccc1C(=O)Nc1ccc(N2CCN(C(=O)C(F)(F)F)CC2)cc1 20528479 KGPLQSRXDTXBHG-UHFFFAOYSA-N 407.392 3.158 0 40 HGAB Cc1ccc(S(=O)(=O)NCCC(=O)O[C@@H](C)C(=O)c2ccc(Cl)cc2)cc1 22036923 IMBQTYOAGBOFAW-AWEZNQCLSA-N 409.891 3.131 0 40 HGAB CCc1ccc(NS(=O)(=O)c2ccc(SC)c(C(=O)N3CCOCC3)c2)cc1 26117154 GZGGESQEEWWXSE-UHFFFAOYSA-N 420.556 3.244 0 40 HGAB CCOC(=O)N1CCN(CCC(=O)N[C@H](c2ccccc2)c2cccs2)CC1 28843715 CGYRFSISXUMITF-HXUWFJFHSA-N 401.532 3.118 0 40 HGAB O=C(Nc1cccc(C(=O)N2CCCC2)c1)[C@@H]1CCCN(C(=O)c2cccs2)C1 29281139 YIXXXEFHFMEUAV-QGZVFWFLSA-N 411.527 3.475 0 40 HGAB CNc1snc(C)c1C(=O)N(C)Cc1ccc(C(=O)NCC(F)(F)F)cc1 31246892 POYKHHCKNWPUGA-UHFFFAOYSA-N 400.426 3.058 0 40 HGAB CSc1ccccc1NC(=O)CN(C)C(=O)CC[C@H]1Cc2ccccc2NC1=O 31551942 PQCBKJMFTYBWNW-INIZCTEOSA-N 411.527 3.397 0 40 HGAB O=C(Nc1nnc(Cc2ccccc2)s1)[C@@H]1CC(=O)N(Cc2ccc(F)cc2)C1 31816936 AZTBYVVRTBGGRO-MRXNPFEDSA-N 410.474 3.255 0 40 HGAB NS(=O)(=O)c1ccc(CCNC(=O)c2c3c(nc4ccccc24)CCCCC3)cc1 32089308 RCDGETSBEJBPOE-UHFFFAOYSA-N 423.538 3.124 0 40 HGAB Cc1cc(Br)ccc1NC(=O)CNC(=O)[C@@H]1CC(c2ccccc2)=NO1 32912151 NNIRCCRISARTLW-KRWDZBQOSA-N 416.275 3.005 0 40 HGAB O=Cc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2)C(c2ccccc2)=NN=3)cc1 33700899 OALPZFJPSSTQMB-RNHBDSLOSA-N 423.497 3.178 0 40 HGAB O=S(=O)(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccc(Cl)s1 35176638 URRPUHXDGMLPFE-UHFFFAOYSA-N 420.965 3.377 0 40 HGAB COC(=O)c1ccc(NC(=O)c2cc(-n3cnnc3)ccc2Br)cc1 35684128 HBOVINMOXIUCCH-UHFFFAOYSA-N 401.220 3.069 0 40 HGAB O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCN(c2nc3ccccc3[nH]2)CC1 38556447 GVPQNWAHDQOGGO-UHFFFAOYSA-N 410.421 3.093 0 40 HGAB CCOc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccc(C(=O)O)cc1 40485106 MKCMQWHCBWJLHV-LJQANCHMSA-N 419.441 3.303 0 40 HGAB COC(=O)N(C)CC(=O)NC[C@H](c1ccc(Cl)cc1)N1CCc2sccc2C1 48325833 VGOBWHPKUOKBKU-QGZVFWFLSA-N 421.950 3.315 0 40 HGAB CCc1nnc(NC(=O)[C@H](CC)Sc2nnc(-c3cccnc3)n2CC)s1 48513937 HXNQPKBZIYZGFY-LBPRGKRZSA-N 403.537 3.283 0 40 HGAB CCN(C[C@@H]1COc2ccccc2O1)C(=O)c1nn(C(C)C)c(=O)c2ccccc12 49940871 DHFRPHYDUIYEFM-MRXNPFEDSA-N 407.470 3.280 0 40 HGAB CC(C)Cn1c(=O)c2sccc2n(CC(=O)N[C@@H](C)CCc2ccccc2)c1=O 57486076 SDNNXEGVUGXAOV-INIZCTEOSA-N 413.543 3.018 0 40 HGAB C[C@H]1CCCCN1C(=O)Cn1c(=O)n(-c2ccc(Cl)cc2)c(=O)c2sccc21 57491801 SMJAXFKXZIHSCZ-ZDUSSCGKSA-N 417.918 3.268 0 40 HGAB CCOc1ccccc1-n1ccn(CC(=O)Nc2ccccc2C(C)C)c(=O)c1=O 67256784 OJVINGFIDUZPFH-UHFFFAOYSA-N 407.470 3.160 0 40 HGAB CN(CC(=O)N1CCCC[C@@H]1c1n[nH]cc1-c1ccnc(N)c1)Cc1ccccc1F 72360809 OLAYBDHIHVOJGD-HXUWFJFHSA-N 422.508 3.379 0 40 HGAB O=S(=O)(C1CCCC1)N1CC[C@@H](c2cc(CCOc3ccccc3F)[nH]n2)C1 72371775 JHCQQIIEVXVWIK-OAHLLOKOSA-N 407.511 3.232 0 40 HGAB CN1C(=O)C[C@@H](C(=O)Nc2nnc(CCc3ccccc3)s2)[C@@H]1c1ccccc1 72400607 AKAYBRCWMJZOKZ-XLIONFOSSA-N 406.511 3.481 0 40 HGAB C[C@](O)(CNC(=O)c1cc(Br)ccc1Cl)c1ccc2c(c1)OCO2 77184550 XDKSACJZEFAFTJ-KRWDZBQOSA-N 412.667 3.469 0 40 HGAB O=c1[nH]c(N(Cc2cccs2)C[C@@H]2CCCO2)nc2c1cnn2-c1ccccc1 79109104 NNGMWGGXCRGIPC-INIZCTEOSA-N 407.499 3.356 0 40 HGAB COC(=O)c1nc(NC(=O)[C@H]2CCCN(c3ncccn3)C2)sc1-c1ccccc1 79485506 XCJNASXAWLXMCZ-HNNXBMFYSA-N 423.498 3.242 0 40 HGAB O=C(CCCC(=O)N1CCN(c2cccc(Cl)c2)CC1)NC[C@@H]1C[C@@H]2C=C[C@H]1C2 95475467 CINBZKSZUDJVRV-QYZOEREBSA-N 415.965 3.487 0 40 HGAB COc1ccc(CCN2C(=O)N[C@@H](CCC(=O)Nc3ccc4cc[nH]c4c3)C2=O)cc1 96221540 RMTZIYKVMKIIKH-IBGZPJMESA-N 420.469 3.058 0 40 HGAB biogenic O=C(c1ccsc1)N1CCC[C@]2(C(=O)NCC3CC3)CN(c3ccccn3)C[C@@H]2C1 96251408 CFPQDIKRTHGXRX-CVDCTZTESA-N 424.570 3.028 0 40 HGAB Cc1ccc(CN2CCC3(CC2)COc2ccccc2S(=O)(=O)N(C)C3)cc1 96263477 BOZRSKVVXDROKZ-UHFFFAOYSA-N 400.544 3.290 0 40 HGAB Cc1cc(S(=O)(=O)Nc2cccc(C(=O)O)c2)ccc1I 96305768 NKHTTWGHYZGFAP-UHFFFAOYSA-N 417.224 3.099 0 40 HGAB COc1ccc(CNC(=O)[C@H]2[C@H]3CC[C@@]4(CC(=O)c5ccccc5O4)[C@@H]32)c(OC)c1 100124474 PHXGGWLKETVAGS-IBTIQNRDSA-N 407.466 3.380 0 40 HGAB COc1ccc(Cc2nnc(SCC(=O)N[C@@H]3C[C@@H]4CC[C@@H]3C4)o2)cc1OC 100479627 AKNIVHZZTBIQEY-BPLDGKMQSA-N 403.504 3.075 0 40 HGAB COc1ccc(-c2noc(CNC(=O)[C@H](C)Oc3cccc(Cl)c3)n2)c(OC)c1 219293249 BFHBJXIRZPBFAH-LBPRGKRZSA-N 417.849 3.491 0 40 HGAB CNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CCc1ccc(OC)c(OC)c1 222527245 CQKMOISSCVYKCN-HNNXBMFYSA-N 418.921 3.453 0 40 HGAB COc1cccc(N(CC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)S(C)(=O)=O)c1 222918660 QZCGTEHPOFIMJQ-INIZCTEOSA-N 416.543 3.217 0 40 HGAB CCCN1C(C)=NS(=O)(=O)c2cc(C(=O)Nc3ccc(OC)c(OC)c3)ccc21 223112904 PKLPNMIDDCBZIQ-UHFFFAOYSA-N 417.487 3.293 0 40 HGAB Cc1cc(C(=O)O)ccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)o1 223595718 FZKULIQTCCYIOC-WOJBJXKFSA-N 423.494 3.313 0 40 HGAB COc1ccc(OCC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NC(C)C)cc1 224644943 HRXUXDXWOQTAOU-MRXNPFEDSA-N 402.466 3.155 0 40 HGAB COc1ccc(Br)cc1S(=O)(=O)NCCOc1ccc(C)c(C)c1 225179959 TXDPLYVSXJBBRB-UHFFFAOYSA-N 414.321 3.432 0 40 HGAB O=C(NCc1nc(-c2cccc(Br)c2)no1)c1ccc2c(c1)OCCO2 225405353 TZBMHSQXICSLLN-UHFFFAOYSA-N 416.231 3.200 0 40 HGAB CNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)COc1ccc(C)cc1 225494677 NWYMSWOELLYANG-HNNXBMFYSA-N 419.319 3.300 0 40 HGAB CCOc1cc([C@H]2C[C@@](C)(NC(C)=O)[C@@H]3CC[C@@H](C)C[C@H]3O2)ccc1OCC(N)=O 257341708 ZLMKXMOJZDAZJR-KOECYIFESA-N 418.534 3.110 0 40 HGAB CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N(C)c3ccc(F)cc3)C2)cc1 260746094 QAIOOMZNVQEGFU-INIZCTEOSA-N 420.506 3.288 0 40 HGAB COc1ccccc1N(CCCC(=O)N[C@H](C)c1ccccc1C)S(C)(=O)=O 260746276 VHQLLEIFLVFTFA-QGZVFWFLSA-N 404.532 3.427 0 40 HGAB CCc1ccc([C@H](C)NC(=O)[C@H](C)N(c2cccc(OC)c2)S(C)(=O)=O)cc1 260772965 XVEXZWHFRZUXTQ-HOTGVXAUSA-N 404.532 3.290 0 40 HGAB Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc(C)c(C(=O)N2CCOCC2)c1 408610692 VIZOPQBYEFWWHL-UHFFFAOYSA-N 408.907 3.230 0 40 HGAB Cc1ccc(F)cc1NC(=O)[C@H](C)N1CCCN(Cc2nccn2C(C)C)CC1 533413716 QDTGNYUAYYNGTO-SFHVURJKSA-N 401.530 3.446 0 40 HGAB COC(=O)c1ccc(C(=O)N2CC[C@@H](c3ccccc3Cl)S(=O)(=O)CC2)cc1 575414628 FCKMXAOBFSPSPS-SFHVURJKSA-N 421.902 3.129 0 40 HGAB CC(=O)N1CCC(Cc2ccccc2)(C(=O)N2CCC[C@H](c3n[nH]cc3C)C2)CC1 585261840 UEPWBKUMOKHZPK-NRFANRHFSA-N 408.546 3.296 0 40 HGAB Cc1cccc(Nc2cc(C)nc([C@@H]3CCCCN3C(=O)/C=C/c3ccnn3C)n2)n1 585292673 QMWOTRNNOJPYSA-VYENPZKTSA-N 417.517 3.733 0 40 HGAB O=C(Cc1ccn(CC(F)(F)F)n1)N1CCC(c2nc(-c3ccccc3)no2)CC1 1537517101 MFDJALYLOWSIOF-UHFFFAOYSA-N 419.407 3.444 0 40 HGAB CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccccc3C)C2)cc1 809640 GXGIMIQDRIEINI-KRWDZBQOSA-N 402.516 3.433 0 40 HGAB CC1=C(C(=O)Nc2cccnc2)[C@@H](c2cccc(Cl)c2Cl)n2nnnc2N1 956298 DAFLZMDDJHFFMG-OAHLLOKOSA-N 402.245 3.303 0 40 HGAB O=C(Cn1nnc(-c2ccccc2NC(=O)c2ccc(F)cc2)n1)Nc1ccccc1 1361776 RZKGNFBWTQVGSR-UHFFFAOYSA-N 416.416 3.370 0 40 HGAB CC(=O)Nc1ccc(NC(=O)CSc2nnc(-c3ccccc3Cl)n2N)cc1 2376367 QTUAYIWVNLHMAC-UHFFFAOYSA-N 416.894 3.002 0 40 HGAB CCCOC(=O)c1ccc(Oc2c(C)oc3cc(OCC(N)=O)ccc3c2=O)cc1 2412369 RVAZJSZAZJBBJI-UHFFFAOYSA-N 411.410 3.325 0 40 HGAB biogenic O=C(O)[C@@H](Cc1ccc(Cl)cc1)NS(=O)(=O)c1ccc(Br)cc1 2566756 ZDPOBRPTAWHTMQ-CQSZACIVSA-N 418.696 3.077 0 40 HGAB Cn1cc(NC(=O)c2ccc(COc3c(F)c(F)cc(F)c3F)o2)c(C(=O)O)n1 2799605 XTAMPDJUAQMBSY-UHFFFAOYSA-N 413.283 3.099 0 40 HGAB COc1cc(/C=C/C(=O)OCCN2C(=O)c3ccccc3C2=O)ccc1OC(F)F 3244209 RITCSCUCPDFDGX-VQHVLOKHSA-N 417.364 3.149 0 40 HGAB COCCn1c(SCc2nnc(-c3cccs3)o2)nnc1-c1ccncc1 3379001 LWQDQOUYLGAEGP-UHFFFAOYSA-N 400.489 3.390 0 40 HGAB COc1ccc(CCNC[C@@H](O)COc2cccc(Br)c2)cc1OC 3401613 UTIORZKNJBFTDB-MRXNPFEDSA-N 410.308 3.038 0 40 HGAB CC(=O)Nc1ccc(C(=O)OCC(=O)NCCc2ccc(Cl)cc2Cl)cc1 3466396 NLSLKIDUACFBFE-UHFFFAOYSA-N 409.269 3.468 0 40 HGAB CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(SC)s2)cc1 4086664 DECRSTRVGNMRKS-UHFFFAOYSA-N 414.578 3.323 0 40 HGAB COCCNC(=S)N(Cc1cccs1)Cc1cc2ccc(C)cc2[nH]c1=O 4134118 PRMWWKFVHMPISY-UHFFFAOYSA-N 401.557 3.421 0 40 HGAB COc1ccc(Cl)cc1N(CC(=O)NCC(C)C)S(=O)(=O)c1ccccc1 4996119 UMTRXMXOXCFDJQ-UHFFFAOYSA-N 410.923 3.316 0 40 HGAB Cc1cc(NC(=O)[C@H](C)SCC(=O)OCC(=O)c2c(C)[nH]c3ccccc23)no1 6361125 IDDDOJJOOCXIST-ZDUSSCGKSA-N 415.471 3.259 0 40 HGAB O=C(CN1CC[C@@H]2CCCC[C@@H]2C1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 6551946 VZRZWBFGPKVRJF-RBUKOAKNSA-N 419.591 3.312 0 40 HGAB C[C@@H](OC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1)C(=O)NCc1ccco1 6586890 RVLQVZCTCOCCIE-MRXNPFEDSA-N 416.437 3.389 0 40 HGAB O=C(NCc1ccccc1)c1cc(S(=O)(=O)N2CCc3ccccc3C2)cs1 6681418 OCRCBHLKAWZPHO-UHFFFAOYSA-N 412.536 3.425 0 40 HGAB Cc1cc(C)cc(O[C@H](C)C(=O)N(Cc2ccc(C)o2)[C@H]2CCS(=O)(=O)C2)c1 6810331 NXQCNQQBQSZOFD-MSOLQXFVSA-N 405.516 3.188 0 40 HGAB NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(-c3ccc(F)cc3)s2)cc1 6880749 XGSMPVDZBIHQHB-UHFFFAOYSA-N 404.488 3.174 0 40 HGAB CCOC(=O)c1oc2cc(O)c(CC)cc2c(=O)c1-c1nncn1-c1ccccc1 6910816 YMIULYMNRRQNKR-UHFFFAOYSA-N 405.410 3.485 0 40 HGAB O=C(c1ccccc1Br)N(Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 7671404 OKLCWGLCWVYRBH-HNNXBMFYSA-N 408.317 3.279 0 40 HGAB O=C(CSc1nc2ccccc2c(=O)n1C1CC1)Nc1ccc2c(c1)OCCO2 7860163 PHMAWBCAKCOJBD-UHFFFAOYSA-N 409.467 3.233 0 40 HGAB COc1ccc(Cl)cc1CN1C(=O)N[C@@](C)(Cc2ccc3c(c2)OCO3)C1=O 7875555 WYOOJGDXVHHXFW-FQEVSTJZSA-N 402.834 3.131 0 40 HGAB Cc1[nH]c2ccc(C(=O)N3CCN(S(=O)(=O)Cc4ccccc4)CC3)cc2c1C 9156096 ZLEODTFFODJPGP-UHFFFAOYSA-N 411.527 3.073 0 40 HGAB O=C(CC[C@@H]1NC(=O)N(CCc2ccccc2)C1=O)N[C@@H]1CCCc2ccccc21 9419614 HYNCOVBRYUDZPA-RTWAWAEBSA-N 405.498 3.124 0 40 HGAB COc1ccc(CCSC2=N[C@H]3CS(=O)(=O)C[C@@H]3N2c2ccc(F)cc2)cc1 9422032 RYUYHMMCIRKJEQ-OALUTQOASA-N 420.531 3.152 0 40 HGAB O=C(Nc1ccccc1N1CCCC1=O)[C@H]1CC(=O)N(Cc2ccccc2Cl)C1 9449281 BTYIKGWTCKAOMZ-INIZCTEOSA-N 411.889 3.454 0 40 HGAB CCc1ccc(-c2nnc(SCc3nc4cc(C(=O)OC)ccc4c(=O)[nH]3)[nH]2)cc1 9633260 ICQHTGBPQWJPPC-UHFFFAOYSA-N 421.482 3.350 0 40 HGAB CCOc1cc([C@@H]2N[C@@H](C(=O)O)CS2)ccc1OCc1cc(OC)ccc1OC 10130138 GKBXBIIXNGCBTH-OXQOHEQNSA-N 419.499 3.470 0 40 HGAB O=C(Nc1cccc(CNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)c1)C1CC1 10669030 ZXDGWMAMWSCWRS-UHFFFAOYSA-N 414.405 3.412 0 40 HGAB CS(=O)(=O)c1ncc(N(Cc2ccc(Cl)cc2)Cc2ccco2)c(C(=O)O)n1 12062558 WLYILSFWOIHQGZ-UHFFFAOYSA-N 421.862 3.032 0 40 HGAB COc1cc(C(=O)N2CCC[C@@H](n3nnc4cc(F)ccc43)C2)cc(OC)c1OC 12184813 CQCOYZKCTZZGFQ-OAHLLOKOSA-N 414.437 3.074 0 40 HGAB Cc1cc(-c2snnc2[C@H]2CCCN(C(=O)c3cnn4c(C)cc(C)nc34)C2)on1 12251911 UMHSXHBZGNYOQO-AWEZNQCLSA-N 423.502 3.181 0 40 HGAB COC(=O)c1ccc(OCC(=O)NCCOc2cccc(C)c2)c(Br)c1 12789540 KTUCLBMDCBHWDJ-UHFFFAOYSA-N 422.275 3.118 0 40 HGAB Cc1nnc(NC(=O)CSc2nnc3c4c5c(sc4ncn23)CCCC5)s1 12833614 BZOIDXVCYVBBDE-UHFFFAOYSA-N 417.545 3.109 0 40 HGAB Cc1cc(NC(=O)CN(C)CC(=O)Nc2ccccc2Cl)n(-c2ccccc2)n1 12986539 BYHMISHUIKJPRQ-UHFFFAOYSA-N 411.893 3.343 0 40 HGAB O=C(C(=O)N1CCOCC1)c1cn(CCOc2ccccc2Cl)c2ccccc12 14135987 BRANWEXALWDASB-UHFFFAOYSA-N 412.873 3.415 0 40 HGAB O=C(C[C@@H]1Sc2ccc(Cl)cc2NC1=O)NC[C@H]1COc2ccccc2O1 14254738 PDTOROJZEQMHMY-SJCJKPOMSA-N 404.875 3.099 0 40 HGAB COc1cc(NC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)cc(OC)c1OC 14473270 MHEFOCQJJJXWPB-UHFFFAOYSA-N 413.879 3.168 0 40 HGAB Cc1cc2occ(CC(=O)OCC(=O)NCCc3ccc4c(c3)OCCO4)c2cc1C 14773227 UYVRKSWHJLKWOC-UHFFFAOYSA-N 423.465 3.265 0 40 HGAB CC(=O)N1CCc2cc(C(=O)[C@H](C)OC(=O)c3cc(=O)c4ccccc4o3)ccc21 16745115 IZYRVQCNMJIIKP-ZDUSSCGKSA-N 405.406 3.130 0 40 HGAB CCCCC(=O)NC(=S)Nc1ccc(N2C(=O)c3ccccc3C2=O)c(OC)c1 17088883 PQZCGWRPSAUQCD-UHFFFAOYSA-N 411.483 3.499 0 40 HGAB COc1ccc(CC(=O)N[C@H](Cc2cc(O)n3nc(C)cc3n2)c2ccccc2)cc1 19129968 LRKRGWQQWKCDHB-OAQYLSRUSA-N 416.481 3.395 0 40 HGAB Cc1ccc([C@@H](CNC(=O)Cn2c(C)nc3sc(C)c(C)c3c2=O)N(C)C)cc1 19136469 VHILXDWNACVAAY-GOSISDBHSA-N 412.559 3.111 0 40 HGAB COc1ccc(CN2C[C@@H](c3cc(=O)[nH]c(C)n3)[C@H](c3ccc(OC)cc3)C2)cc1 19285504 QUHXIAJJCSZNRK-FCHUYYIVSA-N 405.498 3.479 0 40 HGAB O=C(NCCn1c(C(F)(F)F)cc(=O)c2cccc(F)c21)c1cc(C2CC2)on1 19345095 XNIBFKDEEWLZBB-UHFFFAOYSA-N 409.339 3.455 0 40 HGAB Fc1ccc([C@@H](c2nnnn2Cc2ccco2)N2CCN(c3ccccc3)CC2)cc1 19372955 CZBFSUKUAABUAD-QFIPXVFZSA-N 418.476 3.365 0 40 HGAB COc1ccc(CN2CCc3nc([C@H]4CCCN4C(=O)C4CCC4)nc(O)c3C2)cc1 19555499 SYNMDAHUMQXENZ-OAQYLSRUSA-N 422.529 3.213 0 40 HGAB COc1ccccc1CC(=O)NCCn1ncc(-c2cnccn2)c1-c1cccs1 19569744 DKMVXWHADXJADI-UHFFFAOYSA-N 419.510 3.436 0 40 HGAB CCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CS[C@H](c2cccs2)CNC1=O 21301238 MNASKBKMMDZKHG-LNLFQRSKSA-N 418.584 3.175 0 40 HGAB O=C(c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1)N1CCC[C@H]1c1cccs1 22699940 QBNCXTFZXCKNFJ-WMZOPIPTSA-N 420.556 3.183 0 40 HGAB CCOC(=O)C1=C(CN2CCCc3cccc(F)c32)NC(=O)N[C@H]1c1ccccc1 22846946 LZGQOHCICQEVNI-FQEVSTJZSA-N 409.461 3.450 0 40 HGAB CC(C)(C)c1nn(-c2ccc(F)cc2)c2[nH]c(=O)c(CNCCN3CCCC3)cc12 22916081 RWOQJQLOYKBJTQ-UHFFFAOYSA-N 411.525 3.336 0 40 HGAB Cc1ccc([C@@H](CNC(=O)C(=O)Nc2cccc(Cl)c2C)N2CCOCC2)cc1 23107001 ZVFLSIMHEYKDSV-HXUWFJFHSA-N 415.921 3.085 0 40 HGAB O=C(CN(c1cccc(F)c1)S(=O)(=O)c1ccccc1)NCc1ccccc1F 23615518 KINCVQZYFRXXHV-UHFFFAOYSA-N 416.449 3.477 0 40 HGAB COc1ccc(S(=O)(=O)NCCOc2ccc(Cl)cc2)cc1Br 24977591 MHZNKLHDNCSDPL-UHFFFAOYSA-N 420.712 3.468 0 40 HGAB Cc1cc(C)n(CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccccc2)n1 27510112 UBWTUUMSJUCDOO-JOCHJYFZSA-N 404.514 3.048 0 40 HGAB CCOC(=O)[C@H]1[C@@H](c2cn(-c3ccccc3)nc2-c2ccc(C)o2)NC(=O)N[C@@H]1C 28465743 UQFWCLJBQCFTQK-LXGCGDOSSA-N 408.458 3.362 0 40 HGAB CC(=O)Nc1cccc(NC(=O)[C@@H]2CCCN(c3ccc4nnc(C(C)C)n4n3)C2)c1 32091187 OEEDSVKFEMGRNL-MRXNPFEDSA-N 421.505 3.061 0 40 HGAB COc1cc(CN(C(=O)c2ccc(-c3nnn[nH]3)cc2)C2CC2)ccc1OC(F)F 32772476 BBPBICCPMFYOTP-UHFFFAOYSA-N 415.400 3.282 0 40 HGAB Cc1ccccc1C(=O)N[C@@H](C(=O)Nc1ccc(N2CCN(C)CC2)c(C)c1)C(C)C 32843488 UMGIFXHTHZSGIP-HSZRJFAPSA-N 422.573 3.448 0 40 HGAB COc1ccc(F)cc1COC(=O)CCNS(=O)(=O)c1ccc(C(C)C)cc1 32946531 XMBGXJXDKAJBTM-UHFFFAOYSA-N 409.479 3.370 0 40 HGAB Cc1noc(C(C)C)c1C(=O)N1CCN(CC(=O)Nc2ccccc2Cl)CC1 34889342 MRQUQGRBHMOKHT-UHFFFAOYSA-N 404.898 3.156 0 40 HGAB C[C@H]1CCCN(CC(=O)Nc2ccc(S(=O)(=O)N3[C@@H](C)CCC[C@H]3C)cc2)C1 35313656 KBGUYTKESWMCLC-OKZBNKHCSA-N 407.580 3.309 0 40 HGAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N(C)Cc3ccccc3)CC2)cc1 36618054 ADYYRLKPIGUKMT-UHFFFAOYSA-N 416.543 3.145 0 40 HGAB CS(=O)(=O)c1ccc(NC(=O)Cc2noc3ccccc23)c(Br)c1 40157877 HEKDJEAFHBTWFV-UHFFFAOYSA-N 409.261 3.175 0 40 HGAB Cc1cc(OCC(=O)NCc2ccccc2Br)nc(N2CCCCC2)n1 44168280 JSQXDDITEXTYOZ-UHFFFAOYSA-N 419.323 3.233 0 40 HGAB Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)N[C@H](C)c1cccc(S(N)(=O)=O)c1 48193062 UQHFKUNGFVPVIH-CXAGYDPISA-N 405.520 3.309 0 40 HGAB CCNC(=O)[C@@H]1CCCN(c2nc3c(-c4cccc(OC)c4)csc3c(=O)[nH]2)C1 49421322 NBZATXAXNCJYSH-CQSZACIVSA-N 412.515 3.013 0 40 HGAB O=C(NCc1cccc(N2CCCCC2=O)c1)[C@H]1CCCN1C(=O)C1CCCCC1 55669685 KWKLQVMNIROPIF-OAQYLSRUSA-N 411.546 3.391 0 40 HGAB O=C(CN1CCC(C(=O)NC2CC2)CC1)Nc1cc(C(F)(F)F)ccc1Cl 55915782 WDOZENMHRKLYMS-UHFFFAOYSA-N 403.832 3.288 0 40 HGAB CC(C)[C@@H](NCC(=O)N1CCN(c2ncccn2)CC1)c1ccc(C(C)(C)C)cc1 57435051 CBXSUIFJAOOKQN-JOCHJYFZSA-N 409.578 3.410 0 40 HGAB Cc1cc(NC(=O)[C@H](C)SCC(=O)N2CCC[C@H]2CN(C)c2ccccc2)no1 58283357 PKXGCODGCWOWTB-WMZOPIPTSA-N 416.547 3.171 0 40 HGAB COC(=O)CCCCNC(=O)c1cnn(-c2ccc(C(F)(F)F)cn2)c1C(C)C 60126334 GYJJJMDFHZGZIP-UHFFFAOYSA-N 412.412 3.483 0 40 HGAB COc1ccc([C@H]2CC(c3ccccc3O)=NC3(CCN(C(C)=O)CC3)N2)cc1OC 65298571 JOXGHOBYAUTJJL-LJQANCHMSA-N 423.513 3.272 0 40 HGAB biogenic CN(C)C[C@@H](CNC(=O)Nc1cc2c(cc1Cl)OCCO2)[C@@H](O)c1ccccc1 65479322 BPDDWYHHXDCHAE-QRWLVFNGSA-N 419.909 3.144 0 40 HGAB O=C(Cn1ncn2nc(-c3cccc4ccccc34)cc2c1=O)Nc1ccccc1F 67208475 OMMFSFKRKYFPGM-UHFFFAOYSA-N 413.412 3.489 0 40 HGAB CC(C)COc1ccc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)cc1 71850249 RESPNZFLDVCIMV-SFHVURJKSA-N 422.572 3.252 0 40 HGAB CNC(=O)[C@@]1(Cc2ccccc2-c2ccccc2)CCN(C(=O)c2c[nH]nc2C)C1 72391060 GFRKUESEDDOMSD-XMMPIXPASA-N 402.498 3.206 0 40 HGAB COCC(=O)N1CCC[C@@](Cc2cccc(-c3cccc(F)c3)c2)(C(=O)N(C)C)C1 72391550 DQDDQCHHPBBHGN-DEOSSOPVSA-N 412.505 3.379 0 40 HGAB COc1ccc(CCS(=O)(=O)NCCN2CCC(c3cccs3)CC2)cc1 77104196 SUPQLPMKQOWTLU-UHFFFAOYSA-N 408.589 3.098 0 40 HGAB O=C(CN1CCC(c2nnc(C(F)(F)F)o2)CC1)NCc1ccccc1Cl 77198075 KZNWSJYMCCZAEI-UHFFFAOYSA-N 402.804 3.238 0 40 HGAB Cc1csc(C2CCN(S(=O)(=O)c3ccccc3Cn3ccnc3)CC2)n1 95465347 FSXPUCHAJDJGLF-UHFFFAOYSA-N 402.545 3.265 0 40 HGAB Cc1cc(=O)c(OCC(=O)Nc2ccc3c(c2)nc(CCc2ccccc2)n3C)c[nH]1 95476900 OQBJYYLMQZPMNC-UHFFFAOYSA-N 416.481 3.373 0 40 HGAB CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)/C=C\c1ccc(N2CCCC2=O)cc1 96936672 IWCGABMHCHWZDB-KAMYIIQDSA-N 416.481 3.112 0 40 HGAB CCOC(=O)CN(c1cccc(F)c1)S(=O)(=O)c1ccc(Br)cc1 113875863 ZXCMJGAGTPLAFI-UHFFFAOYSA-N 416.268 3.347 0 40 HGAB COc1cccc(N([C@@H](C)C(=O)N[C@@H]2CCCc3ccccc32)S(C)(=O)=O)c1 220181911 FVCMKGJRQPDVES-MGPUTAFESA-N 402.516 3.044 0 40 HGAB CCOC(=O)c1ccc(NC(=O)[C@@H](CC)N(c2ccccc2F)S(C)(=O)=O)cc1 220586786 SMSHNPQUHKEGNC-QGZVFWFLSA-N 422.478 3.186 0 40 HGAB CC[C@H](NC(=O)CN(c1ccccc1C)S(C)(=O)=O)c1ccc(OC)c(C)c1 222818487 VIBUMNULZSNFPF-SFHVURJKSA-N 404.532 3.346 0 40 HGAB COc1ccc([C@@H](C)NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)cc1 223658709 WCMZIHHGVIAWFA-CQSZACIVSA-N 400.500 3.034 0 40 HGAB CCOc1ccc(S(=O)(=O)N(CC)c2cc(OC)c(OC)cc2C(=O)OC)cc1 224608653 CPVGOKUBPGETLV-UHFFFAOYSA-N 423.487 3.104 0 40 HGAB COc1ccc(S(=O)(=O)NC(C)(C)Cc2ccccc2)cc1C(=O)NC(C)C 225879587 BNPNXBKVTOILQK-UHFFFAOYSA-N 404.532 3.133 0 40 HGAB C[C@H]1C[C@H](C)CN(c2cc(N3CCOCC3)nc(NC(=S)NC3CCCC3)n2)C1 226005677 BWHPUJVLIDNJAB-HOTGVXAUSA-N 418.611 3.025 0 40 HGAB CCN(CC(=O)Nc1ccc2sncc2c1)S(=O)(=O)c1ccc(OC)c(C)c1 226070354 ANKBDOPJJDJGEA-UHFFFAOYSA-N 419.528 3.263 0 40 HGAB COc1cccc(CN2C[C@@H]3CCn4c(C(=O)Nc5ccccc5)nnc4[C@H]3C2)c1 306125155 CICUWIYXMVFZOV-PXNSSMCTSA-N 403.486 3.158 0 40 HGAB COc1ncccc1CN1CCO[C@H](c2nnn3cc(-c4ccccc4)ccc23)C1 306130310 JCBLXKKDGMLWFX-NRFANRHFSA-N 401.470 3.373 0 40 HGAB COc1ccc(Cl)cc1S(=O)(=O)N[C@H](C)C(=O)Nc1ccccc1Cl 408601800 BPFDYBRPXZVQSM-SNVBAGLBSA-N 403.287 3.308 0 40 HGAB CCOC(=O)c1ccc(NC(=O)C2CCN(C(=O)c3cccc(OC)c3)CC2)cc1 408972994 RFDDZXIXECQGRJ-UHFFFAOYSA-N 410.470 3.363 0 40 HGAB O=C(CCC(=O)N1CCC(c2ccccc2)=N1)N1CCC(n2cc(Cl)cn2)CC1 503186144 WHNAUWAAIIRMDJ-UHFFFAOYSA-N 413.909 3.117 0 40 HGAB O=C(Nc1ccc(Cl)cn1)[C@H](c1ccccc1)n1c(O)nc2ccccc2c1=O 524734141 ATNVVAPPPMWTNH-SFHVURJKSA-N 406.829 3.379 0 40 HGAB COC1(c2nc(C3CCOCC3)no2)CCN(Cc2nc(C3CCCC3)no2)CC1 583615902 MGBPHHGOTJSWFW-UHFFFAOYSA-N 417.510 3.142 0 40 HGAB O=C(CSc1nc2c(c(=O)n1-c1ccc(F)cc1)SCC2)N1CCCCC1 755446 HBAYTKVMANRJNH-UHFFFAOYSA-N 405.520 3.124 0 40 HGAB CC(C)CN1C(=O)N(c2ccccc2)[C@H](n2oc(=O)n(-c3ccccc3)c2=O)C1(C)C 1054933 ASUFWXDONXBGOH-LJQANCHMSA-N 422.485 3.468 0 40 HGAB COC(=O)[C@@](O)(c1ccc(NC(=O)NC2CCCCC2)c(OC)c1)C(F)(F)F 2260514 WSUHOHJEVYOWAI-KRWDZBQOSA-N 404.385 3.072 0 40 HGAB COC(=O)CSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CCC3 2282750 SERWMWMPHARGAI-UHFFFAOYSA-N 400.525 3.455 0 40 HGAB O=C(N[C@@]1(C(F)(F)F)N=C(O)N(c2ccc(F)c(Cl)c2)C1=O)c1cccs1 2372172 DBDXBXZYYSTDIH-CQSZACIVSA-N 421.759 3.490 0 40 HGAB CC(C)Oc1cccc(-c2nnc(SCC(=O)Nc3ccc(F)c(F)c3)n2N)c1 2393865 CQGYTBPZALBVDP-UHFFFAOYSA-N 419.457 3.455 0 40 HGAB CC[C@@]1(c2cccc(Cl)c2)NC(=O)N(CC(=O)N2c3ccccc3C[C@H]2C)C1=O 2632898 KJSJDEFWYDKYJZ-PEBXRYMYSA-N 411.889 3.475 0 40 HGAB Cc1noc(C)c1COc1ccc(C(=O)OCC(=O)Nc2ccc3c(c2)OCO3)cc1 2661192 ZVMLXBLSHLMJAM-UHFFFAOYSA-N 424.409 3.395 0 40 HGAB CCOc1ccccc1CNC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 3048414 URADBALDYJDZLL-UHFFFAOYSA-N 416.543 3.111 0 40 HGAB O=C(OCC(=O)N1CCN(C(=O)c2ccco2)CC1)c1ccc(-c2ccccc2)cc1 3315383 JFDKUEVZZUKHIM-UHFFFAOYSA-N 418.449 3.088 0 40 HGAB CCCCn1c(S[C@H](C(=O)NC(N)=O)C(C)C)nnc1-c1ccc(OC)cc1 3334609 RSQGZOCPDDMTEF-HNNXBMFYSA-N 405.524 3.065 0 40 HGAB CCOc1ccc(C(=O)OCC(=O)Nc2cc(OC)cc(OC)c2)cc1OCC 3441877 AZSSOSVEMOOCQB-UHFFFAOYSA-N 403.431 3.297 0 40 HGAB O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(OC(F)F)cc1)NC1CC1 3563659 LSJXHRFAKSFURT-UHFFFAOYSA-N 417.437 3.358 0 40 HGAB O=C(CSc1ncnc2c1nnn2Cc1ccc(Cl)cc1)N1CCCCC1 4166547 LAPMJDJHNLOVAH-UHFFFAOYSA-N 402.911 3.028 0 40 HGAB O=C(c1cc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1)N1CCN2CCC[C@@H]2C1 4199800 DKBNJAUUKBWPGF-OAHLLOKOSA-N 415.419 3.335 0 40 HGAB Cc1cc(C)cc(-n2c(SCC(=O)N3CCCC3)nc3c(c2=O)SCC3)c1 4358827 MOBNCWVYIRIPRW-UHFFFAOYSA-N 401.557 3.212 0 40 HGAB O=C(COCC(=O)N(c1ccccc1)c1ccccc1)NCc1ccc2c(c1)OCO2 4704256 UFABQUJQVKVLLL-UHFFFAOYSA-N 418.449 3.413 0 40 HGAB CC[C@H]1CCCCN1C(=O)CSc1nc2ccccc2n1CC(=O)NC1CC1 4902374 ZCMKOWKHZFSQCB-INIZCTEOSA-N 400.548 3.198 0 40 HGAB O=C(CN(Cc1cccs1)C(=O)c1ccc2c(c1)OCCO2)NC1CCCC1 4986447 NTYXJBNUKJNJMQ-UHFFFAOYSA-N 400.500 3.221 0 40 HGAB COc1ccc(C)cc1NC(=O)CSc1nnc2ccc(-c3ccncc3)nn12 5168533 GGGSSFPIRPWOBV-UHFFFAOYSA-N 406.471 3.234 0 40 HGAB CC1=C[C@@H]([C@@H]2CC(=O)N(c3ccccc3)C2=O)CC2=C1C(=O)N(c1ccccc1)C2=O 5416405 JJEWAJQNVJSFOW-APWZRJJASA-N 412.445 3.402 0 40 HGAB CCOC(=O)c1sc(NC(=O)CCN2CCC(C)CC2)c(C(=O)OCC)c1C 5753014 LAPYSGKKCPTWAG-UHFFFAOYSA-N 410.536 3.470 0 40 HGAB CC(=O)N(Cc1ccco1)C1(C(=O)Nc2ccc3c(ccn3C)c2)CCN(C)CC1 5807894 ZGEBUPOJVHANEG-UHFFFAOYSA-N 408.502 3.223 0 40 HGAB COc1ccc(OC)c(N2C(=O)/C(=C/NCc3ccccn3)c3ccccc3C2=O)c1 5894727 KLHSRNFAQQUJQD-HMMYKYKNSA-N 415.449 3.417 0 40 HGAB COc1cc(-c2nnc(COC(=O)c3ccc(F)cc3F)o2)cc(OC)c1OC 6354508 UQDJXLBKGNUDMY-UHFFFAOYSA-N 406.341 3.398 0 40 HGAB COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3ON2c2ccccc2)ccc1O 6576891 RSIDXQXEVZMSGK-BDTNDASRSA-N 416.433 3.452 0 40 HGAB COc1cc2c(cc1OC)CN(C(=O)CCc1c[nH]c3ccccc13)[C@H](C(=O)O)C2 6624308 VYPZDXUVRGZVSW-IBGZPJMESA-N 408.454 3.156 0 40 HGAB biogenic COc1ccc(C[C@H](C(=O)Nc2cccc3ccccc23)c2nn[nH]n2)c(OC)c1 6736123 SQBAENTVDPIHNY-SFHVURJKSA-N 403.442 3.335 0 40 HGAB Cc1ccc(-n2c(SCC(=O)NC[C@@H]3CCCO3)nc3ccccc3c2=O)cc1C 7755548 YKTMLFLPEHCEIO-SFHVURJKSA-N 423.538 3.390 0 40 HGAB CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)[C@@H](C)C(=O)Nc1ccc(C)c(F)c1 8494449 STKVWVAJRGWTGK-HNNXBMFYSA-N 414.481 3.380 0 40 HGAB O=C(CN1C(=O)S/C(=C/c2cccc(Oc3ccccc3)c2)C1=O)N1CCOCC1 9323735 LVGXTDTZHRBLPD-XMHGGMMESA-N 424.478 3.374 0 40 HGAB Cc1ccc(S(=O)(=O)NC[C@@H](c2ccco2)S(=O)(=O)c2ccc(F)cc2)cc1 9740978 PAFFLNJBPYJUHQ-IBGZPJMESA-N 423.487 3.221 0 40 HGAB COc1ccc(CCNC(=O)CCCN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 10336902 CFLIEVBEZLRZCN-UHFFFAOYSA-N 418.559 3.217 0 40 HGAB O=C(CN1CCC(O)(c2ccccn2)CC1)Nc1ccc(N2CCCCCC2)cc1 12114544 ZAEJAKLDKPMVJP-UHFFFAOYSA-N 408.546 3.384 0 40 HGAB COc1cc(C(=O)N2CCC(c3nc(C)nc4ncccc34)CC2)cc(OC)c1OC 12253955 DNCRNWJPJCOHMF-UHFFFAOYSA-N 422.485 3.379 0 40 HGAB COC(=O)C1=C(C)N(c2ccccc2OC)C(=S)N[C@H]1c1ccc(OC)c(O)c1 12515290 RMTDBYMBSFCIOH-IBGZPJMESA-N 414.483 3.292 0 40 HGAB O=C(NCCN1C(=O)S/C(=C\c2ccccc2F)C1=O)c1ccc2[nH]cnc2c1 12520406 VWXUGQDNIYURJP-YVLHZVERSA-N 410.430 3.168 0 40 HGAB CON(C)C(=O)c1cccc(S(=O)(=O)Nc2cc(C)ccc2Br)c1 12631352 AKJZQAUDNJCDKQ-UHFFFAOYSA-N 413.293 3.192 0 40 HGAB COc1ccc(NC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)c(OC)c1 12757625 ZQYFXFAGCIQXAH-UHFFFAOYSA-N 413.499 3.452 0 40 HGAB Cc1ccc(-c2noc(CN3CCN(C(=O)Cc4noc5ccccc45)CC3)n2)cc1 12766082 YGZXAWRGWMIEHD-UHFFFAOYSA-N 417.469 3.073 0 40 HGAB COc1ccccc1CNC(=O)COC(=O)CSc1ccc(Br)cc1 12825132 JWQKYFYVGHHNGC-UHFFFAOYSA-N 424.316 3.409 0 40 HGAB CCC(CC)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 12851228 KQKBQFHHPBLYKA-CYBMUJFWSA-N 417.369 3.155 0 40 HGAB CNS(=O)(=O)Cc1ccccc1CNC(=O)c1cc(F)c(Cl)cc1Cl 12896112 MAIAWOMBMFMHSL-UHFFFAOYSA-N 405.278 3.112 0 40 HGAB O=C(NCC(F)(F)F)c1ccc(CN(C2CC2)S(=O)(=O)c2ccccc2)cc1 12924420 BHWMPFLWKALHSI-UHFFFAOYSA-N 412.433 3.332 0 40 HGAB CCCn1nc(C(=O)O[C@@H](C)C(=O)c2[nH]c(C)c(C(C)=O)c2C)c2ccccc2c1=O 12974854 GFGZDCFGXMFRQM-HNNXBMFYSA-N 423.469 3.382 0 40 HGAB CCOC(=O)c1cc(C#N)c(SCC(=O)N(C)Cc2ccc(F)cc2)nc1C 15513095 BQEYRFMYALWUKN-UHFFFAOYSA-N 401.463 3.328 0 40 HGAB C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)c3ccccc3Cl)cc2)C[C@@H](C)O1 15916135 HANMWCZIRLMFBO-OKILXGFUSA-N 408.907 3.390 0 40 HGAB COc1ccc(NC(=O)Cn2cnc3c(sc4cccc(F)c43)c2=O)cc1OC 16960006 OGKYFKLSJCUUPF-UHFFFAOYSA-N 413.430 3.406 0 40 HGAB Cc1cc(C)n2nc(C(=O)N3CCC4(CC3)Nc3ccccc3-n3cccc34)nc2n1 19117293 FVZBMRIKBNPELN-UHFFFAOYSA-N 413.485 3.089 0 40 HGAB CC[C@H]1C[C@@H](C(F)(F)F)n2nc([C@@H]3CCCN3S(=O)(=O)N3CCCC3)cc2N1 19500889 FTQJKIMDVLQVQJ-QEJZJMRPSA-N 421.489 3.058 0 40 HGAB CNC(=O)[C@]1(Cc2ccccc2-c2cncnc2)CCCN(Cc2cccnc2)C1 19591339 BJLYOQXRZHXHBN-DEOSSOPVSA-N 401.514 3.110 0 40 HGAB Cc1ccc([C@@H](CNC(=O)c2ccc3c(c2)ncn3C2CC2)N2CCOCC2)cc1 19714303 MABLQCKCVIJMOL-HSZRJFAPSA-N 404.514 3.483 0 40 HGAB COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)C[C@@H]1C(=O)Nc1ccc(F)cc1 19819130 FGIXFPYIJVWSCN-KRWDZBQOSA-N 400.381 3.403 0 40 HGAB CN(C(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1)C1CCCCC1 20110355 OESWOCNSROFMAM-NRFANRHFSA-N 414.527 3.434 0 40 HGAB Cc1cc(S(=O)(=O)NCc2cccc(OC(C)C)c2)ccc1N1CCCC1=O 20112200 KLRVZLAZZKPVIV-UHFFFAOYSA-N 402.516 3.388 0 40 HGAB O=c1cc(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)c2cc3c(cc2o1)CCC3 20503000 FXTHRKSSLJROPW-UHFFFAOYSA-N 418.493 3.328 0 40 HGAB biogenic CCOC(=O)N1CCN(c2nc(C)c3c(n2)C[C@H](c2ccccc2C)CC3=O)CC1 20672663 VMJBHRWYMNMMFW-KRWDZBQOSA-N 408.502 3.285 0 40 HGAB CCOC(=O)[C@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@@H]1c1cccc(C)c1 20802189 LNJHTZZPPZWEHD-WOJBJXKFSA-N 407.470 3.106 0 40 HGAB COc1ccc(Br)cc1C(=O)CCC(=O)OCC(=O)N[C@H](C)C(C)C 20834159 VLBAGDLMASDVNF-GFCCVEGCSA-N 414.296 3.125 0 40 HGAB CCN1CCN(C(=O)[C@H](C)Sc2nnc(-c3ccccc3F)n2C2CC2)CC1 21128446 JZAGLRSXIXVIIB-AWEZNQCLSA-N 403.527 3.064 0 40 HGAB O=C(CN1CCN(Cc2ccccc2)CC1)Nc1ccc(Br)cc1F 21822168 JPYKTQXQHNUPHO-UHFFFAOYSA-N 406.299 3.345 0 40 HGAB Cc1cccc(COc2coc(CN3CCN(C(=O)c4ccco4)CC3)cc2=O)c1 22852831 ICTYTTYBTZYKRE-UHFFFAOYSA-N 408.454 3.078 0 40 HGAB CCN(C(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c1)c1ccccc1 24830971 HMCDFODJIPEVIO-CALCHBBNSA-N 402.516 3.151 0 40 HGAB CC(=O)NCc1ccc(-c2csc(NC(=O)CCN3CCSC3=O)n2)s1 24990036 RRIMREKMPLFGRN-UHFFFAOYSA-N 410.546 3.005 0 40 HGAB CC[C@@H](C)c1ccc(S(=O)(=O)N2CCN(C[C@@H](O)c3ccccc3)CC2)cc1 25685722 FSXOGUQMHBZTQL-XMSQKQJNSA-N 402.560 3.240 0 40 HGAB CN(CC(=O)NC(c1ccccc1)c1ccccc1)Cc1nc2ccccc2c(=O)[nH]1 25747661 IEMQWGJKYNVGQR-UHFFFAOYSA-N 412.493 3.261 0 40 HGAB CCOc1ccc(/C=c2\sc3nc(/C=C/c4cccs4)nn3c2=O)cc1OC 27022052 QSSYMKZJIIGNIL-ULPTZDRWSA-N 411.508 3.338 0 40 HGAB CCOc1ccc(CC(=O)N[C@@H](c2cc(OC)cc(OC)c2)c2nccn2C)cc1 29130086 QHIJEXZLFDTCDF-QFIPXVFZSA-N 409.486 3.284 0 40 HGAB CC(=O)Nc1cccc(CNC(=O)C[C@H]2Sc3ccc(Cl)cc3NC2=O)c1 32360230 ZDSPVOQPXSIADP-QGZVFWFLSA-N 403.891 3.418 0 40 HGAB O=C(Nc1ccc(CC(=O)N2CCOCC2)cc1)c1cc(Br)ccc1F 32708715 WDZZTIDHUYESDR-UHFFFAOYSA-N 421.266 3.242 0 40 HGAB COc1ccccc1[C@H](CNC(=O)c1nc(C)n(-c2ccc(F)cc2)n1)N1CCCC1 32841477 QRQORQZISYHJOW-FQEVSTJZSA-N 423.492 3.290 0 40 HGAB Cc1cc(C)n(CCCNC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)n1 33019713 AGGKDLKVCFMFDH-UHFFFAOYSA-N 412.515 3.121 0 40 HGAB CC(C)(C)NC(=O)[C@H](c1cccnc1)N(CCc1ccccc1)C(=O)c1csnn1 35313137 YTFRQLJVHYBUCB-IBGZPJMESA-N 423.542 3.274 0 40 HGAB Cc1cc(C(=O)CN2CCNC(=O)C2)c(C)n1C(c1ccccc1)c1ccccc1 35388410 DBLGDYSDXUUYTD-UHFFFAOYSA-N 401.510 3.357 0 40 HGAB Fc1ccccc1CN1CCC[C@H]1c1nc(-c2ccnc(N3CCOCC3)c2)no1 35424592 SNNSNIGZZQTACE-IBGZPJMESA-N 409.465 3.444 0 40 HGAB biogenic,in-vitro CCn1ccc(-c2cc(C(=O)N3CCN(C)CC3)c3c(-c4ccccc4)noc3n2)n1 36618465 MRJPSPJWOJMFAJ-UHFFFAOYSA-N 416.485 3.161 0 40 HGAB COc1ccc(C)cc1NC(=O)[C@@H](C)OC(=O)Cc1csc(-c2ncccn2)n1 40150437 BIQHWBQYTRIHCQ-CYBMUJFWSA-N 412.471 3.030 0 40 HGAB O=C(CCCC(=O)N1CCN(c2nsc3ccccc23)CC1)NCc1ccco1 40285518 HXTSHTHVYJQIRF-UHFFFAOYSA-N 412.515 3.025 0 40 HGAB Cc1ccc(N(CC(=O)NCc2ccc(Cl)cc2Cl)S(C)(=O)=O)cc1 44791177 PQMGYHGLCPOCPP-UHFFFAOYSA-N 401.315 3.384 0 40 HGAB CS(=O)(=O)N1C[C@@H](C(=O)Nc2cccc(Cl)c2Cl)Oc2ccccc21 44845196 FMDLSTATELZXLY-AWEZNQCLSA-N 401.271 3.159 0 40 HGAB CN(Cc1cccc(Cl)c1Cl)C(=O)Cn1nnc(COc2ccccc2)n1 48303551 FKRIQLCPHVDEKY-UHFFFAOYSA-N 406.273 3.218 0 40 HGAB Cc1cc(C)nc(SCC(=O)N2CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)n1 48332834 DYYYEICCPFMRLV-INIZCTEOSA-N 408.568 3.291 0 40 HGAB NC(=O)c1c(NC(=O)CN(Cc2cccs2)C[C@H]2CCCO2)sc2c1CCC2 57293342 HPVUBAWTZGXCJJ-CYBMUJFWSA-N 419.572 3.017 0 40 HGAB CCOc1ccccc1NC(=O)Cn1c(=O)c2nnc(C(C)C)n2c2ccccc21 57522592 SGKWQUXLNMYZIV-UHFFFAOYSA-N 405.458 3.205 0 40 HGAB Cc1ccc([C@H](OC[C@H](O)Cn2nc(C)c3c(C)onc3c2=O)c2ccccc2)cc1 60358262 CAYVIHOYTPZRCY-NFBKMPQASA-N 419.481 3.477 0 40 HGAB NC(=O)CC[C@H]1CCCN(C(=O)c2cc(Cl)ccc2I)C1 60373798 IRTVIHUQXQCGBA-SNVBAGLBSA-N 420.678 3.062 0 40 HGAB CC[C@@H](C)NC(=O)[C@H]1CN(S(=O)(=O)c2ccc(C)cc2)c2ccc(C)cc2O1 64985942 TVPYGCCKSNZWDM-OXQOHEQNSA-N 402.516 3.174 0 40 HGAB Nc1ccccc1-c1nc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cs1 71817796 QUJUKKZJEBCUFI-UHFFFAOYSA-N 401.513 3.080 0 40 HGAB Cc1ccc(-c2nc(C(=O)Nc3ncnc4nc[nH]c34)c(-n3nc(C)cc3C)o2)cc1 72238510 JTCUSFSJVSCORN-UHFFFAOYSA-N 414.429 3.371 0 40 HGAB Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C 72296023 CSHCHLRAVWKDSV-GHTZIAJQSA-N 402.583 3.124 0 40 HGAB CC(=O)N1CCCN(CC(=O)Nc2ccc3c(c2)OC(F)(F)O3)c2ccccc21 72308680 FWELRELFFQTMMK-UHFFFAOYSA-N 403.385 3.210 0 40 HGAB CCN1CCC2(CC1)CN(C(=O)CSc1nnc(C)o1)Cc1cc(C)ccc1O2 72394160 ZOSJOMUBJMVZFY-UHFFFAOYSA-N 416.547 3.054 0 40 HGAB CCCn1nc(C(=O)NC[C@H]2CC(c3ccc(-c4ccccc4)cc3)=NO2)ccc1=O 96011871 IURNFWVJLZFDSG-HXUWFJFHSA-N 416.481 3.243 0 40 HGAB C[C@](O)(CNS(=O)(=O)c1ccc2c(c1)CCO2)c1ccc(-c2ccccc2)cc1 96025770 OKCSSTFMWYLFQL-QHCPKHFHSA-N 409.507 3.475 0 40 HGAB FC1(F)Oc2cc(I)cc(I)c2O1 96171571 MKTQLYDZYVDUGR-UHFFFAOYSA-N 409.895 3.217 0 40 HGAB O=C(NCc1ccncc1)[C@H]1C[C@]2(CO1)c1ccccc1CN2C(=O)c1ccccc1 96262474 CKFDUXHTIMYTJO-RDGATRHJSA-N 413.477 3.038 0 40 HGAB CCOc1ccc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc1Cl 108118651 KHIHKIVKEYDIRN-ZROIWOOFSA-N 404.806 3.211 0 40 HGAB C[C@@H](NC(=O)CN(c1cccc(F)c1)S(C)(=O)=O)c1ccc2c(c1)CCCC2 222927479 RRPCYVANQGZTBP-OAHLLOKOSA-N 404.507 3.348 0 40 HGAB C[C@H](C(=O)NCc1cccnc1)N(Cc1ccc(F)cc1)C(=O)COc1ccccc1 222929615 OSUZZKZOYLSXSK-GOSISDBHSA-N 421.472 3.333 0 40 HGAB COc1ccccc1[C@H](C)NC(=O)[C@@H](C)N(c1ccc(Cl)cc1)S(C)(=O)=O 223347526 GMYWASCOCSQCFD-UONOGXRCSA-N 410.923 3.381 0 40 HGAB Cc1cc(C)c([C@H](C)NC(=O)CN(c2ccccc2)S(=O)(=O)N(C)C)cc1C 223426564 DXCXISCSCBPCQR-SFHVURJKSA-N 403.548 3.102 0 40 HGAB CCCc1ccc(OCCNC(=O)[C@H](CC)N(c2ccccc2)S(C)(=O)=O)cc1 224299713 WDVLFBIBWNRAGJ-NRFANRHFSA-N 418.559 3.379 0 40 HGAB CCOC(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(Cl)cc1 224706310 ARSGAHGGAMZGNR-UHFFFAOYSA-N 413.879 3.116 0 40 HGAB Cc1ccc(CN(C[C@@H](O)COc2ccc(Cl)cc2)[C@H]2CCS(=O)(=O)C2)cc1 245228984 KOCORJAUWQZPKM-VQTJNVASSA-N 423.962 3.077 0 40 HGAB O=C(Nc1ccccc1)c1nnc2n1C[C@H]1CN(Cc3ccccc3Cl)C[C@@H]1C2 306131034 JVFRVUVEBYCXLK-DLBZAZTESA-N 407.905 3.488 0 40 HGAB CC(=O)Nc1cccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc3ccccc3c2)c1 408584202 MYOGEPVHXTXXIB-AWEZNQCLSA-N 411.483 3.104 0 40 HGAB CCOC(=O)Nc1cc(S(=O)(=O)NCc2ccc(OC)cc2)ccc1OCC 408585319 DJKDGYMKNJNCNE-UHFFFAOYSA-N 408.476 3.141 0 40 HGAB CC(C)N1C[C@H](C(=O)Nc2cc(C(F)(F)F)ccc2OC[C@@H]2CCCO2)CC1=O 408706710 CORHFKUWPDVVKP-HIFRSBDPSA-N 414.424 3.459 0 40 HGAB CCCOc1ccc(N2C[C@@H](C(=O)N3CCN(c4ccccc4)CC3)CC2=O)cc1 408709074 WYZZGLRGANDRFT-IBGZPJMESA-N 407.514 3.177 0 40 HGAB CCc1ccc(N(CC(=O)N2CCC(Cc3ccccc3)CC2)S(C)(=O)=O)cc1 409026467 QGIRFDOUHOCRDT-UHFFFAOYSA-N 414.571 3.496 0 40 HGAB O=C(CN1C(=O)S/C(=C/c2cccs2)C1=O)N1CCN(c2ccccc2)CC1 409206234 WIXGTNJPZMQKJQ-GHRIWEEISA-N 413.524 3.133 0 40 HGAB CC(C)C(=O)Nc1cc(C(=O)Nc2ccc(Cl)c(C(=O)NC3CC3)c2)ccn1 571302352 LBYPIVAIKOPJJN-UHFFFAOYSA-N 400.866 3.474 0 40 HGAB CCCc1nnsc1C(=O)N1CC[C@@H](c2ccccc2Cl)S(=O)(=O)CC1 575415062 YBHKZRAWICKMPJ-HNNXBMFYSA-N 413.952 3.146 0 40 HGAB O=C([C@@H]1Cc2ccccc2CO1)N1CC[C@H](c2ccccc2Cl)S(=O)(=O)CC1 575618349 VJNOJDFUQJULSV-VQTJNVASSA-N 419.930 3.170 0 40 HGAB CC(C)CS(=O)(=O)[C@H]1CCCN(C(=O)COc2ccc(Cl)cc2Cl)C1 585146924 OCSXJFHSCMUQJI-AWEZNQCLSA-N 408.347 3.434 0 40 HGAB CN1C(=O)C[C@@H](C(=O)O[C@H](CSc2nc[nH]n2)c2ccccc2)c2ccccc21 1122714628 MQLCVZNVYKGRDF-SJLPKXTDSA-N 408.483 3.332 0 40 HGAB C=CC(=O)N1CCC(C(=O)N2CCCN(c3ccccc3)CC2)(c2ccccc2)CC1 1542172541 AABBSKFYSHZJTE-UHFFFAOYSA-N 417.553 3.472 0 40 HGAB Clc1ccc(-c2nc(Cn3nnc(-c4cncc(Br)c4)n3)no2)cc1 1656678623 HCDPSSZJPPVXDH-UHFFFAOYSA-N 418.642 3.249 0 40 HGAB COC(=O)c1ccc(OC)c(S(=O)(=O)NCc2cc(-c3ccoc3)cs2)c1 1775969606 BXWPCBINRPKJMQ-UHFFFAOYSA-N 407.469 3.282 0 40 HGAB Cc1nc([C@H]2CCCN(C(=O)c3ccccc3)C2)nc(C)c1CC(=O)N1CCCC1 1848356689 IZVVOFNKPBHLKM-FQEVSTJZSA-N 406.530 3.278 0 40 HGAB O=C(c1noc2c1CCCC2)N1C[C@@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@H]2C1 1888854239 NGMZVYIXKQMMTI-STQMWFEESA-N 406.408 3.176 0 40 HGAB C/C(Cl)=C/CSc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccccc1Cl 663118 VSLURRMTLSNETN-YFHOEESVSA-N 411.314 3.360 0 40 HGAB C[C@H](Oc1ccc(Br)cc1Br)C(=O)Nc1ncccn1 682434 WBTAOPWRNFDHDW-QMMMGPOBSA-N 401.058 3.408 0 40 HGAB COc1ccc(C2=NN(C(C)=O)[C@@H](c3ccc(OC)c(OC)c3)C2)c(OC(C)=O)c1 796453 XGTMIQKOJPORTM-LJQANCHMSA-N 412.442 3.335 0 40 HGAB COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)N3CCC[C@@H](C)C3)cc2c1 892815 TUBPMSNWVCYLKJ-VFNWGFHPSA-N 422.533 3.460 0 40 HGAB COc1ccccc1-n1c(SCC(=O)NC2CCCC2)nnc1-c1cccnc1 1362334 WLZWEWBVKWINAG-UHFFFAOYSA-N 409.515 3.489 0 40 HGAB CCOC(=O)[C@@](NC(=O)CC)(Nc1ccc(OC(F)(F)F)cc1)C(F)(F)F 2050566 TWQQOZHBRUTMPZ-ZDUSSCGKSA-N 402.291 3.345 0 40 HGAB Cc1ccc(-c2nnc(N3CCN(C(=O)CN4CCCC4)CC3)c3ccccc23)cc1 2222927 PMYDLBFYGGRHKY-UHFFFAOYSA-N 415.541 3.350 0 40 HGAB COC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)CN1CCCC(C)(C)C1 2293352 BRHJWQOQOHEDBZ-UHFFFAOYSA-N 403.479 3.032 0 40 HGAB CCOC(=O)c1ccccc1OCc1cc([C@H]2N[C@@H](C(=O)O)CS2)ccc1OC 2417151 VZTDKGMQALZQHJ-APWZRJJASA-N 417.483 3.239 0 40 HGAB Cc1ccc(S(=O)(=O)c2nc(-c3ccc(F)cc3)oc2SCC(N)=O)cc1 2460998 UZWRSGVEGULHOI-UHFFFAOYSA-N 406.460 3.199 0 40 HGAB O=C(CNC(=O)c1ccc(Br)cc1)OCC(=O)c1ccc(Cl)s1 2633627 IGJSDPZJQAWYQM-UHFFFAOYSA-N 416.680 3.320 0 40 HGAB O=C(N[C@@H]1CCCc2ccccc21)C1CCN(S(=O)(=O)c2ccccc2F)CC1 3324596 TYBDRNAYLXTZMN-HXUWFJFHSA-N 416.518 3.420 0 40 HGAB aggregator Cc1ccccc1Nc1nc(N)nc(CSc2nc(-c3ccccc3)cn2N)n1 4400051 WYLONGNRHRKLPY-UHFFFAOYSA-N 404.503 3.375 0 40 HGAB Cc1ccc(C)c(S(=O)(=O)NC[C@H](c2ccco2)S(=O)(=O)c2ccccc2)c1 4519390 DZFPIJZVHVCDDM-HXUWFJFHSA-N 419.524 3.390 0 40 HGAB Cc1cccc(O[C@H](C)C(=O)N(Cc2ccccc2)[C@H]2CCS(=O)(=O)C2)c1C 5528918 LBQLKJCVCZHZNJ-QUCCMNQESA-N 401.528 3.287 0 40 HGAB CCn1nnc2cc(C(=O)OCC(=O)c3ccc(NC(=O)CC(C)C)cc3)ccc21 5805089 KBSTVMAYTSLJFK-UHFFFAOYSA-N 408.458 3.476 0 40 HGAB O=C(COC(=O)C1CCN(C(=O)Nc2ccccc2)CC1)Nc1c(F)cccc1F 5970957 FXOSVNWADPNRHE-UHFFFAOYSA-N 417.412 3.391 0 40 HGAB Cc1ccccc1Nc1nnc(SCC(=O)Nc2sccc2C(N)=O)s1 6256970 GZPSSVMIVXEHEH-UHFFFAOYSA-N 405.530 3.481 0 40 HGAB Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)Cc3cccc(F)c3)cc2)n1 6654209 MZBSDIRFCSCTQZ-UHFFFAOYSA-N 414.462 3.215 0 40 HGAB CCn1c(=S)sc2c(=O)n(CC(=O)N[C@H](C)CCc3ccccc3)c(C)nc21 6669571 CADBYMBVMUDAQP-CYBMUJFWSA-N 416.572 3.455 0 40 HGAB Cc1nn(CC(C)C)c(C)c1CC(=O)Nc1cccc(S(=O)(=O)NC(C)(C)C)c1 7116695 MJXVVIFCNIMENX-UHFFFAOYSA-N 420.579 3.414 0 40 HGAB O=C(CN1CCC[C@@H]1c1ccc2c(c1)OCCO2)Nc1ccc(N2CCCC2=O)cc1 7362410 NYXVCTCYKUHTJS-HXUWFJFHSA-N 421.497 3.360 0 40 HGAB CCn1c(S[C@H](C)C(=O)NCC(=O)Nc2c(C)cccc2C)nnc1C1CC1 7618546 XNMPAZMETDBTGQ-CQSZACIVSA-N 401.536 3.028 0 40 HGAB COc1ccc(OC)c(N2C[C@H](C(=O)O[C@H](C)C(=O)c3ccc(C)cc3)CC2=O)c1 7881553 NVXWSLPSOFSXCM-NVXWUHKLSA-N 411.454 3.180 0 40 HGAB Cc1ccc(NC(=O)CNc2cccc(S(=O)(=O)N3CCCCC3)c2)cc1F 7956443 RSMNTEQOKRYVFX-UHFFFAOYSA-N 405.495 3.359 0 40 HGAB Cc1cc(C)cc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(Cl)cc3)CC2=O)c1 8037787 GEELWTBVIUWXPR-HNNXBMFYSA-N 400.862 3.492 0 40 HGAB Cc1c(Cl)cccc1NC(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 8289396 QFJLVABTKIHJBG-HNNXBMFYSA-N 408.907 3.358 0 40 HGAB Cc1csc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)n2N)n1 8645393 ILDCSAYFUBXGRL-UHFFFAOYSA-N 415.331 3.461 0 40 HGAB CC[C@]1(C)NC(=O)N(CC(=O)N2CCc3sccc3[C@@H]2c2cccs2)C1=O 8855725 UNYKSRODAGQPBZ-APWZRJJASA-N 403.529 3.004 0 40 HGAB COc1ccccc1[C@H]1C[C@@H](C(F)(F)F)n2ncc(C(=O)NC[C@@H]3CCCO3)c2N1 9059511 YBFDBWQYYDGDSB-MJEQTWJJSA-N 424.423 3.461 0 40 HGAB CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)NC(=O)C(C)(C)CO3)c(C)c1 9173663 FQFFKZJWCXYIDS-UHFFFAOYSA-N 417.487 3.111 0 40 HGAB O=C(CSc1nnc(NC(=O)c2ccccc2F)s1)NCc1ccc(F)cc1 9599925 QVKDGVISWYGGHR-UHFFFAOYSA-N 420.466 3.477 0 40 HGAB COc1ccc(S(N)(=O)=O)cc1C(=O)Nc1cccc(-c2csc(C)n2)c1 9986856 ZJYOSAZMOQRZCO-UHFFFAOYSA-N 403.485 3.027 0 40 HGAB C[C@H](NC(=O)CSc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccccc1 10010079 UKCDIMGEWCUQEA-INIZCTEOSA-N 404.557 3.441 0 40 HGAB O=C(COC(=O)c1ccc2c(c1)OCCO2)c1cccc(I)c1 10034847 UUHZLZYRGIVWBO-UHFFFAOYSA-N 424.190 3.102 0 40 HGAB Cc1ccc(S(=O)(=O)N2c3ccc(C(=O)NC[C@@H]4CCCO4)cc3C[C@H]2C)cc1 10326520 JEAWFUNEALEXSJ-APWZRJJASA-N 414.527 3.044 0 40 HGAB CN(C)C(=O)c1ccc(NS(=O)(=O)c2c(F)cc(F)cc2Br)cc1 10515395 BXRLDSCQSRQPAG-UHFFFAOYSA-N 419.247 3.230 0 40 HGAB CC(=O)Nc1c(C)cccc1C(=O)OCc1nc(N)nc(Nc2ccccc2C)n1 11034222 BDQSTJCSXDPKBF-UHFFFAOYSA-N 406.446 3.130 0 40 HGAB C[C@@H]1CN(C(=O)c2ccc(Cl)c(NS(=O)(=O)c3ccc(F)cc3)c2)CCO1 11502581 GKVNGEXNSBVREU-GFCCVEGCSA-N 412.870 3.141 0 40 HGAB Cc1nnsc1C(=O)N1CCC[C@@H]1c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](C)N2 12181425 SFUSBTVAPYHAJT-GGZOMVNGSA-N 400.430 3.328 0 40 HGAB O=S(=O)(c1ccc(F)cc1)N1CCC(O)(Cn2ccc3nc(Cl)ccc32)CC1 12182267 ORMFZWBWCSJRCG-UHFFFAOYSA-N 423.897 3.045 0 40 HGAB Cc1cc(C)cc(N2C[C@H](C(=O)N3CCC[C@H](c4nnc5ccccn45)C3)CC2=O)c1 12409860 KUKSPAPPKZPDBX-RBUKOAKNSA-N 417.513 3.105 0 40 HGAB CCc1ccc(CN(C)C(=O)CN2CCC(C(=O)Nc3ccccc3O)CC2)cc1 12734328 OSYYOIZFXKTDSA-UHFFFAOYSA-N 409.530 3.264 0 40 HGAB CCOc1ccccc1N1C[C@H](C(=O)N[C@@H](c2ccccc2)c2nccn2C)CC1=O 12741324 UWFLCJOJDAMUGQ-GCJKJVERSA-N 418.497 3.078 0 40 HGAB CN(Cc1ccccc1Br)C(=O)c1ccc2c(=O)n3c(nc2c1)CCC3 12815225 NFKFFSLLAOWJND-UHFFFAOYSA-N 412.287 3.377 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCCc3ccccc3)CC2)c(C)c1 12995584 YZGJEFHKJUHZDA-UHFFFAOYSA-N 414.571 3.453 0 40 HGAB COc1ccc(S(=O)(=O)N(C)c2ccccc2)cc1C(=O)N1CCC(C)CC1 13612799 NMFUSOJORLDOTR-UHFFFAOYSA-N 402.516 3.392 0 40 HGAB CS(=O)(=O)N1CCCC[C@H]1C(=O)Nc1nc2c(Cl)c(Cl)ccc2s1 13792921 LZXMLWOZGJTEMM-VIFPVBQESA-N 408.332 3.356 0 40 HGAB O=C1NC2(CCCCCC2)C(=O)N1C[C@@H](O)COc1ccc(Cl)cc1Cl 14253966 CGPOLIJKJIWCBZ-CYBMUJFWSA-N 401.290 3.378 0 40 HGAB CC(=O)N1CCc2cc(NC(=O)CN3CCC(C(=O)c4ccccc4)CC3)ccc21 14320972 GEZYCIQKYCJQJR-UHFFFAOYSA-N 405.498 3.129 0 40 HGAB COc1ccc2nc(C(=O)N3CCC(n4c(=O)[nH]c5ccccc54)CC3)ccc2c1 15497119 VUQZFSUGPGQUFG-UHFFFAOYSA-N 402.454 3.364 0 40 HGAB CCN(CC(=O)NCc1ccc(Cl)cc1)CC(=O)NCc1ccc(Cl)cc1 16586106 QDDSYTPCKLCDTP-UHFFFAOYSA-N 408.329 3.248 0 40 HGAB O=C(NN1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)c1ccccc1F 17916795 CCHBPDYHEKCDOC-JQBYJRRVSA-N 412.420 3.363 0 40 HGAB O=C(c1cccc(F)c1)N1CC[C@H](c2nc3c(c(=O)[nH]2)CN(C2CCCCC2)CC3)C1 19293509 KDUVALPNFJAUQW-KRWDZBQOSA-N 424.520 3.230 0 40 HGAB O=C(NCC1CCOCC1)[C@@H]1CN(Cc2ccccc2)C[C@H]1C(=O)c1ccc(F)cc1 19372551 LVOHTHWVKFXQRB-DHIUTWEWSA-N 424.516 3.299 0 40 HGAB CCC(C)(C)n1nnnc1[C@H](c1ccc(C)cc1)N1CCN(C(=O)c2ccco2)CC1 19499670 BQCOWDUPYRZPFL-FQEVSTJZSA-N 422.533 3.267 0 40 HGAB CN(C)C(=O)[C@@]1(Cc2cccc(-c3cccnc3)c2)CN(Cc2ccccn2)CCO1 19580900 NUZIPSFFAPDVMD-RUZDIDTESA-N 416.525 3.046 0 40 HGAB COc1ccc(N2C[C@H](C(=O)Nc3ccc4c(c3)N(C)CCC4)CC2=O)c(OC)c1 19661445 OZUHNZCKMWWYEJ-MRXNPFEDSA-N 409.486 3.078 0 40 HGAB Cc1c(-c2ccnc3cc(C(=O)NCC(C)(C)c4ccccc4F)nn23)cnn1C 19719020 RCGIQGUNSZYGTO-UHFFFAOYSA-N 406.465 3.285 0 40 HGAB COc1ccc([C@H](CNC(=O)c2ccc(Br)cc2)N2CCOCC2)cc1 19897827 GPVWUNUVORSIHW-IBGZPJMESA-N 419.319 3.261 0 40 HGAB biogenic CCOc1ccccc1CNC(=O)[C@H](CC)N(c1ccc(C)cc1)S(C)(=O)=O 20111076 PKVBTTHVMSMUSW-IBGZPJMESA-N 404.532 3.255 0 40 HGAB COc1cc(C)c(CN2CCN([C@@H](C)C(=O)Nc3ccccc3C)CC2)cc1OC 22025130 FVOOAFITVFUVJN-IBGZPJMESA-N 411.546 3.465 0 40 HGAB CCn1cc(C(=O)N2CCN(c3ccccc3OC)CC2)c(=O)c2cc(OC)ccc21 22235926 ABHBDYVMKZNFIT-UHFFFAOYSA-N 421.497 3.001 0 40 HGAB Cc1nc(COc2ccccc2C(=O)N2CCC(C(=O)Nc3ccccc3)CC2)no1 23695882 DOCKWTLIBHDCPK-UHFFFAOYSA-N 420.469 3.448 0 40 HGAB O=C(c1ccc(-n2ccnc2)cc1)N1CCN(CCOc2ccc(Cl)cc2)CC1 24050222 ICLKMLJXIYWIMO-UHFFFAOYSA-N 410.905 3.363 0 40 HGAB CCn1c(=O)n(CC(=O)N[C@@H](c2ccc(Cl)cc2)c2nccn2C)c2ccccc21 24705066 MCLRVRJVFGXXHO-FQEVSTJZSA-N 423.904 3.116 0 40 HGAB CN(CC(=O)Nc1ccc(OC(F)(F)F)cc1)S(=O)(=O)c1ccc(Cl)cc1 27799127 PAAPUZMULUMIEE-UHFFFAOYSA-N 422.812 3.498 0 40 HGAB CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CCSCc1csc(C)n1 29979108 CAPUOOSTHUJXNS-UHFFFAOYSA-N 402.545 3.360 0 40 HGAB CCCN(C[C@H]1COc2ccccc2O1)S(=O)(=O)c1ccc2oc(=O)ccc2c1 32755627 DFULMLUGGMNCFL-INIZCTEOSA-N 415.467 3.034 0 40 HGAB COc1ccc(C[C@H](NC(=O)C[C@@H]2C=CS(=O)(=O)C2)c2ccc(OC)cc2)cc1 32808850 MXIHIZGJCWZSLB-UWJYYQICSA-N 415.511 3.052 0 40 HGAB COc1ccc(-n2ccnc2SCC(=O)Nc2nc3c(s2)CN(C)CC3)cc1 32903838 BTBUZYPONCWPAA-UHFFFAOYSA-N 415.544 3.056 0 40 HGAB O=C(CCc1cnn(-c2ccccc2)c1)NC1CCN(C(=O)c2ccccc2F)CC1 40105277 HYAKRAMAXNVYQN-UHFFFAOYSA-N 420.488 3.365 0 40 HGAB CC(C)OC(=O)C[C@@H](NC(=O)[C@@H](C)S(=O)(=O)c1ccc(F)cc1)c1ccccc1 40146598 HEYINDRAQDPDCL-DNVCBOLYSA-N 421.490 3.187 0 40 HGAB COc1ccc(CNC(=O)CCn2nc(-c3ccc(C)c(C)c3)ccc2=O)c(OC)c1 41254960 MEHACEYIAXUMNJ-UHFFFAOYSA-N 421.497 3.251 0 40 HGAB CS(=O)(=O)CCSC1=N/C(=C/c2ccccc2)C(=O)N1c1ccc(F)cc1 43012569 ADXVRBIKKGPHGM-GHRIWEEISA-N 404.488 3.347 0 40 HGAB O=C(Nc1nnc(COc2ccccc2)s1)[C@H]1CC(=O)N(c2ccccc2F)C1 49550772 CPUCHHMQPQFMFX-ZDUSSCGKSA-N 412.446 3.248 0 40 HGAB O=C1CN(CCC2=CCCCC2)[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Cl)cc1 56998224 VSQVLQZZWDLQOC-OALUTQOASA-N 408.951 3.045 0 40 HGAB CN(C)C(=O)c1ccc(NC(=O)c2cc(S(C)(=O)=O)ccc2Cl)cc1Cl 57374228 VEBMAGDPABFNHW-UHFFFAOYSA-N 415.298 3.351 0 40 HGAB COc1ccc(OC)c(CNC(=O)Nc2ccc(S(=O)(=O)N(C)C(C)C)cc2)c1 58062998 NFSDHUXDBGFYFI-UHFFFAOYSA-N 421.519 3.054 0 40 HGAB Cc1cc([C@H](C)NC(=O)c2cccc(CN3CCS(=O)(=O)CC3)c2)c(C)s1 58151300 UIFAXALNYCTQIX-HNNXBMFYSA-N 406.573 3.086 0 40 HGAB CCN(CC)C(=O)c1ccc(NS(=O)(=O)c2cc3c(cc2Cl)NC(=O)C3)cc1 58250098 ZZOSSAHYHQFDKR-UHFFFAOYSA-N 421.906 3.117 0 40 HGAB CCS(=O)(=O)N1CCC(NC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)CC1 58393052 DZPQZKYBWRUZJQ-UHFFFAOYSA-N 423.535 3.054 0 40 HGAB Cc1cccc(OCCNC(=O)[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2)c1 59417474 GPIWWFLJPPFWES-OAHLLOKOSA-N 417.303 3.306 0 40 HGAB O=C(Nc1ccccc1F)[C@@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1 64985335 VVYQPCHOJHDKOP-FQEVSTJZSA-N 412.442 3.421 0 40 HGAB COc1cc2c(cc1OC)[C@H]1c3ccccc3N(CC(=O)N3CCCC3)C(=O)N1CC2 72342037 PHGUCBMKXQXDGV-HSZRJFAPSA-N 421.497 3.214 0 40 HGAB Cc1nc([C@H]2CCCN(C(=O)c3ccncc3)C2)ncc1C(=O)NCc1ccccc1 72346317 BHQXVAAHKSDVGG-FQEVSTJZSA-N 415.497 3.130 0 40 HGAB C[C@H]1C[C@@H](C)CN(C(=O)CN2CCC(n3c(=O)oc4ccc(Cl)cc43)CC2)C1 72347894 ZGAFNPPHHRUPKE-GASCZTMLSA-N 405.926 3.389 0 40 HGAB CC1=NN(c2ccc(C(=O)O[C@H](C)C(=O)N3CCN(c4ccccc4)CC3)cc2)CC1 78413872 RLCOQAAXFKSDIT-LJQANCHMSA-N 420.513 3.167 0 40 HGAB C[C@@H]1C[C@@H](NC(=O)c2cccc(C(=O)N3CCCC3)n2)CCN1Cc1ccccc1 79025243 NORMPTKZHRTKHA-QUCCMNQESA-N 406.530 3.101 0 40 HGAB COc1c2c(cc3c1OCO3)CCN(C)C(c1cc(=O)n3cc(Cl)ccc3n1)=C2 79193695 NZWZPQBKIWBWHN-UHFFFAOYSA-N 411.845 3.071 0 40 HGAB biogenic CNC(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3cccc(C)c3)c2)cc1 89672869 MWFWJAXTCGXBGI-UHFFFAOYSA-N 423.494 3.408 0 40 HGAB COC(=O)c1ccc(NC(=O)CN2CCC[C@H](c3nc4ccc(C)cc4[nH]3)C2)cc1 95446867 GAGWEWFPICFKQA-KRWDZBQOSA-N 406.486 3.476 0 40 HGAB O=C(NCc1cccnc1)[C@@H]1c2ccccc2C(=O)N(C[C@H]2CCCO2)C12CCCC2 95472561 FDSOWTJJLYPGRC-KNQAVFIVSA-N 419.525 3.429 0 40 HGAB O=C(NC1(C(=O)Nc2ccccc2)CCN(Cc2ccccc2)CC1)C(F)(F)F 95997646 KNXPMYWFCPFVIC-UHFFFAOYSA-N 405.420 3.338 0 40 HGAB CN(C)c1cc(C(=O)NC[C@@H](c2ccccc2)N2CCOCC2)c2ccccc2n1 96006689 LXOFIGRVFKTFDX-QFIPXVFZSA-N 404.514 3.104 0 40 HGAB COc1ccc(C(=O)[C@H](c2cc(OC)c3c(c2OC)OCO3)C(OC)OC)cc1 96325942 PGKGCQGVVKXFKX-INIZCTEOSA-N 404.415 3.027 0 40 HGAB O=C(Nc1cccc(CN2CCOCC2)n1)[C@@H]1CCCCN1Cc1ccc(F)cc1 97032449 FYBTVKRMBXBUQR-NRFANRHFSA-N 412.509 3.046 0 40 HGAB COc1ccc2c3c1O[C@H]1[C@]34CCN(C)[C@H](C2)[C@@]42C=C[C@@]1(OC)[C@](C)(C(C)(C)O)C2 100393838 AKBVQTSSRCUQMV-HHSXDSIRSA-N 411.542 3.077 0 40 HGAB biogenic,in-vitro O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)N[C@@H]1C[C@@H]2CC[C@@H]1C2 100412278 YEUOBCOAYKVNPR-JXXFODFXSA-N 402.491 3.326 0 40 HGAB CCCn1/c(=N/C(=O)COc2ccccc2)sc2cc(S(C)(=O)=O)ccc21 101061427 VIWSTYOBNNXDIA-VXPUYCOJSA-N 404.513 3.023 0 40 HGAB CCCCOC(=O)c1ccc(NC(=O)c2cccc(N(C)S(C)(=O)=O)c2)cc1 222415920 JILLHHPJIMFJFQ-UHFFFAOYSA-N 404.488 3.292 0 40 HGAB Cc1cccc(CSCCNC(=O)c2cccc(N(C)S(C)(=O)=O)c2C)c1 222431110 XGANWXQKYDPLQQ-UHFFFAOYSA-N 406.573 3.362 0 40 HGAB CCOC(=O)c1cc(NC(=O)c2ccc(C)c(N(C)S(C)(=O)=O)c2)ccc1Cl 222463163 QUUIVEPOOYUTSA-UHFFFAOYSA-N 424.906 3.473 0 40 HGAB COc1ccc(C(=O)OC(C)C)cc1NS(=O)(=O)c1ccc(NC(C)=O)cc1 223647893 PLJFKXBNWFYLQX-UHFFFAOYSA-N 406.460 3.020 0 40 HGAB COc1cccc(-c2noc(CN(C)S(=O)(=O)c3cc(C)c(OC)cc3C)n2)c1 224322149 QRVLWPQUDDYFMI-UHFFFAOYSA-N 417.487 3.191 0 40 HGAB CN(c1cccc(NC(=S)NCCCSCc2ccco2)c1)S(C)(=O)=O 225593965 GRPGNKSEKQZMSU-UHFFFAOYSA-N 413.590 3.285 0 40 HGAB Cc1ccc(-c2nnc(NC(=O)CN(c3cccc(C)c3)S(C)(=O)=O)s2)cc1 225760791 BUGQCRJDFBQQPI-UHFFFAOYSA-N 416.528 3.227 0 40 HGAB CN(c1cccc(NC(=S)NC2(c3ccncc3)CCCC2)c1)S(C)(=O)=O 225858404 XCAZPFSHVZYOQT-UHFFFAOYSA-N 404.561 3.233 0 40 HGAB O=S(=O)(NC[C@@H](c1ccco1)N1CCSCC1)c1ccc2c(c1)CCCC2 253405968 UAHMBIMDVFIEDV-IBGZPJMESA-N 406.573 3.227 0 40 HGAB CO[C@@H]1CN(CC(=O)Nc2nc(-c3ccccc3)c(C)s2)CC[C@@]12CCCO2 257226667 FLPXQMMSBXEOTM-UTKZUKDTSA-N 401.532 3.327 0 40 HGAB Cc1nc2ccccn2c1CN1CCC[C@@H](c2n[nH]cc2C(=O)N2CCCCC2)C1 257233526 GPPXKHPUMFJXNJ-GOSISDBHSA-N 406.534 3.372 0 40 HGAB COc1ccccc1CNc1n[nH]c2nc([C@@H]3CCN(C(=O)c4ccno4)C3)ccc12 257302006 SAYLLJANPNTETK-OAHLLOKOSA-N 418.457 3.196 0 40 HGAB COc1ccccc1CCC(=O)N1CCC(c2cncc(Nc3cnccn3)n2)CC1 257313893 UUOUBFKZAVPKED-UHFFFAOYSA-N 418.501 3.358 0 40 HGAB COc1cccc(N([C@@H](C)C(=O)N[C@H](C)c2cc(C)ccc2C)S(C)(=O)=O)c1 260587829 ASCMNIRHSOKVBL-SJORKVTESA-N 404.532 3.344 0 40 HGAB COc1cccc(-c2ccc3nc([C@@H]4CCCN(C(=O)N(C)C)C4)nn3c2)c1OC 306136261 POFGJZWEZVTODS-MRXNPFEDSA-N 409.490 3.275 0 40 HGAB Cn1ccc(C(=O)N2CCC[C@@H](c3nc4ccc(-c5cccc(F)c5)cn4n3)C2)n1 306140976 VHYQWHXJZPYPGY-QGZVFWFLSA-N 404.449 3.289 0 40 HGAB CCOc1ccc(C(=O)NCc2ccccc2Cl)cc1S(=O)(=O)NC(C)C 408701298 VTOCGOFISSXRQZ-UHFFFAOYSA-N 410.923 3.355 0 40 HGAB Cc1ccc(C(=O)N[C@H]2C(=O)N/[N+](=C\c3ccc(F)cc3)[C@H]2c2ccc(C)cc2)cc1 409071075 OHFARTPJQPCRIF-WSBKAMHLSA-O 416.476 3.459 0 40 HGAB CCOCCCNC(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccc(C)cc1 409130644 XAFXIASOZBPJQJ-UHFFFAOYSA-N 404.532 3.042 0 40 HGAB CN(Cc1ccccc1)C(=O)CN(c1ccc(Cl)cc1Cl)S(C)(=O)=O 409380560 HAYDENNXVMCCDL-UHFFFAOYSA-N 401.315 3.418 0 40 HGAB O=C(NC1CCN(C(=O)c2ccccc2C(F)(F)F)CC1)c1cnc2n1CCCC2 516523995 WJUVDYIVZQUENQ-UHFFFAOYSA-N 420.435 3.273 0 40 HGAB O=C1c2ccccc2CN1CC(=O)N1CCCC2=C[C@H]3C[C@@H](CN4CCCC[C@H]34)[C@H]21 583647652 YANKGUFDQNGLKJ-QRVLJTFESA-N 405.542 3.064 0 40 HGAB biogenic Cc1cc(-c2nccn2C)nc([C@@H]2CCN(C(=O)Cc3c[nH]c4ccccc34)C2)n1 585182426 SDZADDYBOONFFA-MRXNPFEDSA-N 400.486 3.225 0 40 HGAB O=C(Nc1nc(-c2ccc3ccccc3n2)n[nH]1)[C@H]1CC(=O)N(c2ccccc2F)C1 590408305 RYWVVCZXMRCZHC-AWEZNQCLSA-N 416.416 3.151 0 40 HGAB O=C(Cn1ccc2ccccc2c1=O)NC[C@@H](c1ccc(Cl)cc1)n1cccn1 1542528081 QRRCVTUVRAYGQQ-FQEVSTJZSA-N 406.873 3.257 0 40 HGAB COCCOC(=O)c1c(C)oc2cc(Br)c(O[C@@H](C)C(=O)OC)cc12 1817549 VYCBXZLFZGWTAF-JTQLQIEISA-N 415.236 3.247 0 40 HGAB biogenic CCOC(=O)c1c(N)n(Cc2cc(OC)cc(OC)c2)c2nc3ccccc3nc12 2289338 BHCHJZVHHOOHAT-UHFFFAOYSA-N 406.442 3.409 0 40 HGAB CCOC(=O)[C@@H](C)Oc1cccc2c(=O)n(CC(=O)Nc3ccccc3F)ccc12 2712288 FRAXJWGLJAGLJY-CQSZACIVSA-N 412.417 3.110 0 40 HGAB CC(=O)Nc1ccc(C(=O)OCC(=O)Nc2nc3c(F)c(F)c(F)cc3s2)cc1 3235845 YMUPQVYQVGQFOQ-UHFFFAOYSA-N 423.372 3.468 0 40 HGAB CC1=C(C(N)=O)[C@H](c2ccc(OCc3c(F)cccc3Cl)cc2)N2NN=NC2=N1 4368737 OQAIJALRSCCMPV-KRWDZBQOSA-N 414.828 3.416 0 40 HGAB COCCN(C(=O)c1csnn1)[C@@H](C(=O)NC1CCCCC1)c1ccc(C)cc1 4890298 BTTQXPCQQRSIDG-LJQANCHMSA-N 416.547 3.125 0 40 HGAB COc1cc(NS(=O)(=O)c2cc(C)ccc2OC)ccc1N1CCCCC1=O 5329914 PLIPOLCTUBLEEK-UHFFFAOYSA-N 404.488 3.330 0 40 HGAB COc1ccc(NC(=O)COc2ccccc2C)cc1S(=O)(=O)N1CCCCC1 6218911 ZBZGODOUBGFFCA-UHFFFAOYSA-N 418.515 3.196 0 40 HGAB C[C@H](NC(=O)CCCCC(=O)N[C@@H](C)[C@H](O)c1ccccc1)[C@@H](O)c1ccccc1 6468020 QMYJLCSSUSXHJC-BYIOMEFUSA-N 412.530 3.023 0 40 HGAB CSc1nnc(C)n1NC(=S)NC(=O)c1ccc(OCc2ccccc2)cc1 6505030 MJJZLVALFJVZAM-UHFFFAOYSA-N 413.528 3.146 0 40 HGAB CC(C)CNC(=O)[C@@H](C)Sc1ccc(S(=O)(=O)N(C)C2CCCCC2)cn1 7190215 XFHRQZZNXDLLDJ-OAHLLOKOSA-N 413.609 3.288 0 40 HGAB Cn1nc(CC(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)c2ccccc2c1=O 7313152 ZENNUVSFRRHRIF-HNNXBMFYSA-N 418.522 3.492 0 40 HGAB Cc1nnc(S/C(=C\c2cc(Cl)c(OCC(=O)O)c(Cl)c2)C(=O)O)o1 7603701 SGQFRGVRHWTFIP-WMZJFQQLSA-N 405.215 3.366 0 40 HGAB CN(c1ccc(C(=O)NCCSCc2ccccc2Cl)cc1)S(C)(=O)=O 8091305 PNLIPMPBLUDPLI-UHFFFAOYSA-N 412.964 3.399 0 40 HGAB CCCCCOc1cc(S(=O)(=O)N2CCN(C(=O)OCC)CC2)ccc1Cl 8714776 XMVLXYZTOCUVDZ-UHFFFAOYSA-N 418.943 3.372 0 40 HGAB Cc1cc(NS(=O)(=O)c2ccc(NC(=O)COc3ccc(C)c(C)c3)cc2)no1 8722772 BEWKQBPKTUWRGG-UHFFFAOYSA-N 415.471 3.418 0 40 HGAB O=C1C[C@H](CNS(=O)(=O)c2cccc(C(F)(F)F)c2)CN1c1ccc(F)cc1 9036486 NRVMNFIXNXNMMD-GFCCVEGCSA-N 416.396 3.176 0 40 HGAB Cc1ccc(CNC(=O)Cn2ccn3nc(-c4ccc(Cl)cc4)cc3c2=O)cc1 9327590 LWANEKUYRMVCNY-UHFFFAOYSA-N 406.873 3.441 0 40 HGAB Cn1c(=O)[nH]c(=O)c2c1nc1n(-c3cccc(Cl)c3)c(-c3ccc(F)cc3)cn21 10104494 SGAZTVRPACLLQC-UHFFFAOYSA-N 409.808 3.125 0 40 HGAB CCOc1ccc([C@H](C)NC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)cc1 11170322 QUPOBDRGDMKNMP-HNNXBMFYSA-N 422.572 3.425 0 40 HGAB O=C(Nc1ccc2c(c1)OCCCO2)c1ccc(S(=O)(=O)N2CCCCC2)cc1 11758986 NQSROSZFUROFQW-UHFFFAOYSA-N 416.499 3.275 0 40 HGAB C[C@H](OC(=O)Cn1nc(O)c2ccccc2c1=O)C(=O)c1ccc(C(C)(C)C)cc1 12895752 JUNDECZWZKCJKK-AWEZNQCLSA-N 408.454 3.214 0 40 HGAB Nc1nc(S[C@@H]2c3cccc4cccc(c34)[C@H]2NS(=O)(=O)c2ccccc2)n[nH]1 13151301 SZVJRGZJZCMGMH-QZTJIDSGSA-N 423.523 3.407 0 40 HGAB COc1cc(OC)cc(C(=O)N(C)CC(=O)Nc2ccc(Br)cc2C)c1 13987046 FGVLTZSYIYWVGT-UHFFFAOYSA-N 421.291 3.485 0 40 HGAB O=c1c2cc(Br)ccc2ncn1C[C@H](O)COc1ccc(Cl)cc1 14183556 FQZDRXUYQBSMQI-ZDUSSCGKSA-N 409.667 3.252 0 40 HGAB C/C=C/c1ccc(OC[C@@H](O)CN2C(=O)N[C@](C)(CCC(C)C)C2=O)c(OC)c1 14249030 TUGCWVHUJPGTSM-LLQXBFRMSA-N 404.507 3.215 0 40 HGAB CCS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)c3ccc(C)cc3C)cc21 15781494 QZIBFVKTZGFABI-UHFFFAOYSA-N 408.545 3.207 0 40 HGAB CCOC(=O)c1sc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1C 16003425 NTWJOBPCTVHUBO-UHFFFAOYSA-N 422.528 3.270 0 40 HGAB Cc1[nH]nc2c1[C@H](c1cnn(C)c1)c1c(ncn3nc(-c4c[nH]c5ccccc45)nc13)O2 17093520 QSUMCHWOISDNTG-KRWDZBQOSA-N 423.440 3.324 0 40 HGAB O=S(=O)(c1ccc(CNCc2cccc(Cl)c2Cl)cc1)N1CCOCC1 17317381 NIUPWDCSGUAIMK-UHFFFAOYSA-N 415.342 3.304 0 40 HGAB CC[C@]1(C)Cc2c(sc3c2[C@H](N)NC(SCC(=O)N2CCCCC2)=N3)CO1 17945396 MORBRIGSHHLQON-VQIMIIECSA-N 408.593 3.283 0 40 HGAB CC(=O)Nc1ccc(CN2CCC[C@@H](C3=NS(=O)(=O)c4ccccc4N3)C2)cc1 19022460 KJBKFLKPBCQLJP-QGZVFWFLSA-N 412.515 3.070 0 40 HGAB CC(C)c1cc(C(F)(F)F)n2nc([C@H]3CCN(C(=O)c4ccn(C)n4)C3)cc2n1 19452414 RTVCYSMOMKSYNA-LBPRGKRZSA-N 406.412 3.235 0 40 HGAB CCOCc1cc(CN2CC[C@H](c3cc(=O)[nH]c(-c4ccncc4)n3)C2)ccc1OC 19531107 ADYSSLTVPLTNMX-IBGZPJMESA-N 420.513 3.367 0 40 HGAB COCC(=O)N1CCC(c2nc(C)c3c(n2)N(Cc2ccc(F)cc2)CCC3)CC1 19705644 VIDLYMIAXXVNSY-UHFFFAOYSA-N 412.509 3.229 0 40 HGAB CC[C@@H](c1ccc(F)cc1)N(C)C(=O)c1ccc(=O)n(CC(=O)N2CCCCC2)c1 19751069 WSUODCBXVJOFNJ-FQEVSTJZSA-N 413.493 3.223 0 40 HGAB COc1ccc([C@@H](CNC(=O)c2cc(-c3ccccc3)on2)N2CCOCC2)cc1 19796738 KAFIIKZEPSROBH-OAQYLSRUSA-N 407.470 3.154 0 40 HGAB COc1ccc(-c2nc3n(n2)[C@H](CC(=O)Nc2cccc(Cl)c2C)C(=O)N3)cc1 20738708 ZEJFQXFFGSPXRE-MRXNPFEDSA-N 411.849 3.438 0 40 HGAB CC(=O)Nc1ccc(OCc2noc(C(=O)NCCc3c[nH]c4ccccc34)n2)cc1 20762813 HCGGHONIWHRRHX-UHFFFAOYSA-N 419.441 3.061 0 40 HGAB biogenic COc1ccc(Cl)cc1NC(=O)C(=O)NCC1(c2cccs2)CCOCC1 21690779 OXVLSWCOUWAQJP-UHFFFAOYSA-N 408.907 3.213 0 40 HGAB Cc1ccc(OC[C@H](C)NC(=O)CN(c2ccc(Cl)cc2C)S(C)(=O)=O)cc1 22336690 AQSZBNWNYWWFSG-INIZCTEOSA-N 424.950 3.307 0 40 HGAB COc1ccc(NC(=O)CSc2nnc(-c3ccc(F)c(F)c3)c(O)n2)cc1 24747910 QPXIIFVZWXWEJB-UHFFFAOYSA-N 404.398 3.262 0 40 HGAB CCN(Cc1nc(N)nc(Nc2ccccc2C)n1)C[C@@H]1COc2ccccc2O1 32654932 XDMVENUCEQJHAS-MRXNPFEDSA-N 406.490 3.168 0 40 HGAB Cc1ccc(CNC(=O)Cn2cnc3c(-c4ccc(C)cc4)nsc3c2=O)cc1 33300038 JLVBXEJOZHNJTJ-UHFFFAOYSA-N 404.495 3.453 0 40 HGAB C[C@@H]1CCCC[C@H]1NC(=O)CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O 33654415 UVUPKLKQLGMVLL-YLJYHZDGSA-N 405.498 3.177 0 40 HGAB COc1ccc(NC(=O)c2cc(-n3cnnc3)ccc2Br)c(OC)c1 35684118 BNYZCOUUGUWHEG-UHFFFAOYSA-N 403.236 3.299 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCC[C@@H]4CCCC[C@H]43)C2)cc1 36420471 QAENJEYBKMBRFV-BBTUJRGHSA-N 420.575 3.277 0 40 HGAB Cn1ccnc1[C@H](NC(=O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1)c1ccccc1 40015854 XZWVYAIDXLHMQX-TZIWHRDSSA-N 420.488 3.317 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)c2scnc2C)c1 40139072 QSZMGKVBWNDVOI-UHFFFAOYSA-N 422.576 3.335 0 40 HGAB CCOC(=O)N1CCC(NC(=O)Cn2ccc3c(Br)cccc32)CC1 40283909 LSSIUHVEEDTBFJ-UHFFFAOYSA-N 408.296 3.141 0 40 HGAB O=C(/C=C/c1ccc2c(c1)OCO2)Nc1ccccc1C(=O)NCc1cccnc1 47081055 VXNFEVURNZQEFF-CSKARUKUSA-N 401.422 3.392 0 40 HGAB CCOC(=O)N(C)CC(=O)N[C@@H](C)c1cnn(-c2cccc(C(F)(F)F)c2)c1C 47923068 YIJJFTRDPAFHGD-LBPRGKRZSA-N 412.412 3.465 0 40 HGAB O=S(=O)(c1ccc2c(c1)OCCO2)N1CCC[C@@H](COCc2ccccc2)C1 49031793 SRCLDOMTSHHOCN-GOSISDBHSA-N 403.500 3.075 0 40 HGAB CC(C)CCn1c(=O)c2ccccc2n(CC(=O)N2CCCc3ccccc32)c1=O 57525827 ZUECSILDAJXJJO-UHFFFAOYSA-N 405.498 3.189 0 40 HGAB O=C1COc2cc(NC(=O)N3CCN(c4ncccc4Cl)CC3)c(Cl)cc2N1 58047887 DDQJCXDHCVEMRU-UHFFFAOYSA-N 422.272 3.073 0 40 HGAB O=C(CN1C(=O)c2ccccc2CS1(=O)=O)Nc1ccc(Oc2ccccc2)cc1 58167478 UWMDXHCDICEGEQ-UHFFFAOYSA-N 422.462 3.403 0 40 HGAB COc1ccc(CC(=O)Nc2ccccc2C(=O)NCc2cccnc2)cc1OC 61240701 YZFYUWKOLINANO-UHFFFAOYSA-N 405.454 3.210 0 40 HGAB CCOc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccccc4F)ccn3n2)cc1 64591291 IXXOBBKKXFDIDP-UHFFFAOYSA-N 406.417 3.340 0 40 HGAB CC(=O)Nc1cc(-c2ccccc2)nn([C@@H](C)C(=O)N2CCc3ccccc32)c1=O 64604883 ZXQUBZKEXHKQLG-HNNXBMFYSA-N 402.454 3.019 0 40 HGAB CCOc1ccc(-c2cc3c(=O)n(CCC(=O)N4CCCCCC4)ccn3n2)cc1 67262478 VWAJZPLPNXSKQO-UHFFFAOYSA-N 408.502 3.354 0 40 HGAB CC[C@H](C(=O)N1[C@H](C(=O)O)COC12CCN(Cc1ccccc1)CC2)c1ccccc1 71980612 GEHIEJFHPFJMAP-VXKWHMMOSA-N 422.525 3.485 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2cnc(N3CCOCC3)cc2C)cc1 72219409 ONMQBLFGNCQBLG-HXUWFJFHSA-N 401.532 3.061 0 40 HGAB CCn1ccnc1CN1CCN(C(=O)c2cccnc2SC(F)(F)F)C[C@H]1C 72281486 ZRGPHGKDYCVSBF-CYBMUJFWSA-N 413.469 3.256 0 40 HGAB COCCN(Cc1cccnc1)C(=O)[C@@H](c1cc(Br)cs1)N(C)C 72307117 BJXTYQNQUKSSNM-MRXNPFEDSA-N 412.353 3.184 0 40 HGAB CCc1c(C(=O)N2CC(Cc3cc(OC)cc(OC)c3)C2)cnn1-c1ccccn1 72313813 JEGJXLLILHUWSF-UHFFFAOYSA-N 406.486 3.162 0 40 HGAB CCCCOc1ccc(-c2cc(C(=O)N3CCN(c4ncccn4)CC3)[nH]n2)cc1 72331254 YPABJDDQYTYLJL-UHFFFAOYSA-N 406.490 3.008 0 40 HGAB COc1ccc(C)cc1C(=O)CCC(=O)N1CCC(c2n[nH]c3nccnc23)CC1 72393780 SYHBFAMNQHDIDO-UHFFFAOYSA-N 407.474 3.039 0 40 HGAB CCCS(=O)(=O)NC1CCN(c2nc(C(F)(F)F)nc3cc(F)ccc23)CC1 95948809 JJJOOTJBRMZZDK-UHFFFAOYSA-N 420.432 3.086 0 40 HGAB COc1cc2c(cc1OC)CN([C@H]1CC(=O)N(c3ccc(F)c(Cl)c3)C1=O)CC2 96305309 XGVZDRJKQCJUDH-KRWDZBQOSA-N 418.852 3.187 0 40 HGAB O=C(COc1ccccc1Br)Nn1c(=S)[nH]c2ccsc2c1=O 102922221 SFIQXRARWCOENP-UHFFFAOYSA-N 412.290 3.032 0 40 HGAB CCCCNC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 113936553 FBMDDRBLQBOWLU-UHFFFAOYSA-N 406.504 3.059 0 40 HGAB O=S(=O)(NCC[C@@H](CCO)c1ccccc1)c1ccc(Br)s1 206628102 CUUBQXVLQDLFDX-ZDUSSCGKSA-N 404.351 3.345 0 40 HGAB CC[C@H](NC(=O)[C@H](C)N(c1cccc(C)c1)S(C)(=O)=O)c1ccc(OC)cc1 220147531 GVEQEFWXAHMYDW-JXFKEZNVSA-N 404.532 3.426 0 40 HGAB C[C@@H](C(=O)NCCCO)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(Cl)cc1 222845593 FPFKWSUOKGYKPM-HNNXBMFYSA-N 423.340 3.452 0 40 HGAB Cc1cccc(N(CC(=O)NCCOc2ccc(C(C)(C)C)cc2)S(C)(=O)=O)c1 223617961 LNNYGYAKHHFUTA-UHFFFAOYSA-N 418.559 3.254 0 40 HGAB COc1ccccc1[C@H](C)NC(=O)CN(c1ccc(Cl)cc1C)S(C)(=O)=O 223832085 HDRXHLBYVZKLIS-AWEZNQCLSA-N 410.923 3.300 0 40 HGAB CCN(c1ccc(C(=O)NCCOc2cc(C)cc(C)c2)cc1)S(=O)(=O)CC 224105548 OLRQQWBGAYNZFJ-UHFFFAOYSA-N 404.532 3.288 0 40 HGAB O=C(COc1ccc(NC(=O)C2(c3ccccc3)CCCC2)cc1)N1CCOCC1 225503232 HUIDEGUAOTYJRZ-UHFFFAOYSA-N 408.498 3.375 0 40 HGAB COc1ccc(Cl)cc1NC(=O)C[C@@H](NS(C)(=O)=O)c1ccc(F)cc1 225946580 AVMTXLFSVAVZPH-CQSZACIVSA-N 400.859 3.107 0 40 HGAB Cc1nc2ccccn2c1CN1CCC[C@H](c2n[nH]cc2C(=O)N2CCCCC2)C1 257233527 GPPXKHPUMFJXNJ-SFHVURJKSA-N 406.534 3.372 0 40 HGAB Cc1ccc(Cl)c(OC[C@]2(O)CCCN(CC(=O)NCCc3ccccc3)C2)c1 257252770 JWCHCMHEZTXOOB-QHCPKHFHSA-N 416.949 3.213 0 40 HGAB CC(=O)N1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)N2C(=O)c1cncnc1 257261907 LJGRGVFGCLAHAI-CFKFVRPNSA-N 404.514 3.092 0 40 HGAB CC(C)NC(=O)N1C[C@@H]2CC[C@@H](CNC(=O)Cc3ccccc3)N2Cc2ccccc21 306130026 IUGRHOYVPBIZPZ-VXKWHMMOSA-N 420.557 3.317 0 40 HGAB Cn1ccc(C(=O)N2Cc3ccccc3-c3nc(NCc4cccnc4)ncc3C2)n1 306133737 MTXSSGQEUWULEF-UHFFFAOYSA-N 411.469 3.040 0 40 HGAB COc1ccc(S(=O)(=O)N(CC(=O)NC(C)(C)C)Cc2ccccc2)cc1Cl 408581822 AMSHTJRTHMPGOG-UHFFFAOYSA-N 424.950 3.454 0 40 HGAB CC1CCN(S(=O)(=O)c2ccc(OCC(=O)Nc3ccccc3F)cc2)CC1 408616691 APDJDUNDWZQGMM-UHFFFAOYSA-N 406.479 3.264 0 40 HGAB C[C@@H]1C=CC[C@H]2C(=O)N(c3cccc(C(=O)Nc4cccc(C(=O)O)c4)c3)C(=O)[C@@H]12 408669486 HESHQYVOKGKQPR-ZNOIYHFQSA-N 404.422 3.339 0 40 HGAB COC(=O)[C@H]1C(=O)Nc2sc(C(=O)c3ccccc3)c(N)c2[C@@H]1c1ccccc1 409123162 FHJBRZOMFPCGID-GOEBONIOSA-N 406.463 3.435 0 40 HGAB O=C(CN1C(=O)N/C(=C/c2cc(Br)cs2)C1=O)Nc1ccccc1F 409212179 NRENHGJCXUFIBD-AWNIVKPZSA-N 424.251 3.181 0 40 HGAB CCCN1C(=O)N/C(=C/c2cccc(OC)c2OCC(=O)Nc2ccccc2)C1=O 409239890 NXBGCRLYLVAIOG-GHRIWEEISA-N 409.442 3.015 0 40 HGAB CC(C)CNC(=O)COc1ccc(S(=O)(=O)NC2CCCCC2)cc1Cl 409356085 DUSBSVUJBKHDNR-UHFFFAOYSA-N 402.944 3.102 0 40 HGAB Cn1cc(S(=O)(=O)N2CCC[C@@H]2Cc2ccccc2Cl)c(C(F)(F)F)n1 555283570 RXPLCJYKGIKYPD-GFCCVEGCSA-N 407.845 3.488 0 40 HGAB O=C(NC1CCCC1)[C@@H](c1cccs1)N(C[C@@H]1CCCO1)C(=O)C(F)(F)F 800205 NRGCIQYVBNHYKQ-DZGCQCFKSA-N 404.454 3.418 0 40 HGAB COc1ccc(C(=O)CN2C(=O)C(C)(C)Oc3ccc(C(=O)N4CCCC4)cc32)cc1 1355317 KKYSLXXHGWAKTR-UHFFFAOYSA-N 422.481 3.318 0 40 HGAB CCS(=O)(=O)c1ccc(O)c(NS(=O)(=O)c2c(Cl)cccc2Cl)c1 2639241 HMGJKOXMXJCYSB-UHFFFAOYSA-N 410.300 3.293 0 40 HGAB NC(=O)c1c(NC(=O)COC(=O)c2cc(Cl)cc(Cl)c2)sc2c1CCC2 3284309 FJPHIRJJBCAAGU-UHFFFAOYSA-N 413.282 3.438 0 40 HGAB Cc1nc(S[C@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)nc(C)c1C 3340214 UURJPOYITKAAPE-MRXNPFEDSA-N 411.531 3.319 0 40 HGAB C[C@@H](Sc1nc2ccccc2s1)C(=O)N1CCN(C(=O)c2ccco2)CC1 3349107 SUJDWANAZJUPAJ-CYBMUJFWSA-N 401.513 3.355 0 40 HGAB CCc1c(C)sc2nc(SCC(=O)Nc3cc(C)on3)n(CCOC)c(=O)c12 3447074 UAOMAXKSCZKJSJ-UHFFFAOYSA-N 422.532 3.002 0 40 HGAB O=C(NC[C@@H](c1ccco1)N1CCCCC1)[C@H]1CCCN1C(=O)c1cccs1 3504275 JPLQYUUFHCUUDC-SJORKVTESA-N 401.532 3.289 0 40 HGAB O=C(CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)NC1CCCCCC1 3572846 PKIXGODOTIUEBS-UHFFFAOYSA-N 405.498 3.321 0 40 HGAB Cc1c(C)c(C)c(C(=O)OCC(=O)N(CC(C)C)[C@@H]2CCS(=O)(=O)C2)c(C)c1C 4580819 UVGNBYNCFUSPDL-LJQANCHMSA-N 423.575 3.057 0 40 HGAB C[C@@H]1CCCCN1C(=O)CSc1nc2ccccc2n1CC(=O)NC(C)(C)C 4859086 MCPKGZMPSPRHAH-OAHLLOKOSA-N 402.564 3.444 0 40 HGAB CCc1ccc(-n2nnnc2S[C@@H](C)C(=O)Nc2ccc(NC(C)=O)cc2)cc1 5033782 MFKDUDPSLBMCHH-ZDUSSCGKSA-N 410.503 3.302 0 40 HGAB Cc1ccc(S(=O)(=O)Nc2ccc(-c3ccc(N4CCOCC4)nn3)cc2)cc1 5144808 PVEYOBUEODXNRI-UHFFFAOYSA-N 410.499 3.089 0 40 HGAB COc1ccc(NC(C)=O)cc1NC(=O)c1cccn(Cc2ccccc2C)c1=O 5269293 RTAYABBYNXCKFZ-UHFFFAOYSA-N 405.454 3.424 0 40 HGAB O=C(COC(=O)c1ccccc1Br)Nc1nnc(-c2ccccc2)o1 5691484 DSKFDAMXQRCIQZ-UHFFFAOYSA-N 402.204 3.295 0 40 HGAB CCOc1ccc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCOC)cc1OC 6752802 DGZHMSSCMBVOAT-JOCHJYFZSA-N 423.469 3.381 0 40 HGAB CC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CC1CCCC1 6788505 DXVXOJQKJPNTFG-UHFFFAOYSA-N 410.536 3.014 0 40 HGAB Cc1ccc2nc(CSCc3nc(N)nc(Nc4ccccc4C)n3)cc(=O)n2c1 7058053 ATDTWOBLPRYLJQ-UHFFFAOYSA-N 419.514 3.256 0 40 HGAB COc1ccc(NS(=O)(=O)c2cccc(NC(=O)Cc3c(C)noc3C)c2)cc1 7778582 CIOYOAMDIYCLED-UHFFFAOYSA-N 415.471 3.282 0 40 HGAB O=C(COC(=O)[C@H]1CC(=O)N(C2CCCCC2)C1)Nc1ccccc1C(F)(F)F 7940221 CXYUDVSHZMSFNP-ZDUSSCGKSA-N 412.408 3.368 0 40 HGAB CS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1ccc(-c2nccs2)cc1 7990750 FNHDDKZFEITYOK-SFHVURJKSA-N 413.524 3.135 0 40 HGAB COc1cc(Cl)c(C)cc1NC(=O)CNC(=O)c1ccc(N2CCCC2=O)cc1 8137263 SUVXLVRJJNYVQM-UHFFFAOYSA-N 415.877 3.152 0 40 HGAB Cc1cc(C)c2c(-n3cccc3)c(C(=O)N3CCN(c4ncccn4)CC3)sc2n1 8159570 SEASSLAVOIFRFK-UHFFFAOYSA-N 418.526 3.456 0 40 HGAB Cc1cc(C)cc(N2C[C@@H](C)Cn3c2nc2c3c(=O)n(CCC(C)C)c(=O)n2C)c1 8667825 YZXFWWYMDKSQHA-QGZVFWFLSA-N 409.534 3.347 0 40 HGAB O=C(NCc1ccc(F)cc1)C(=O)NC[C@H](c1ccsc1)N1CCCCCC1 8893091 FCEDSNTXBGROMK-LJQANCHMSA-N 403.523 3.237 0 40 HGAB Cn1cccc1C[C@H]1[C@H](O)c2ccccc2S(=O)(=O)N1CCCc1ccccc1 8991575 XILLMNSWSOWDAO-JTHBVZDNSA-N 410.539 3.307 0 40 HGAB CC[C@H](C(=O)Nc1cccc(Br)c1)n1c(=O)[nH]c2ccccc2c1=O 8995267 ASQXYSDOWBHFPB-OAHLLOKOSA-N 402.248 3.042 0 40 HGAB O=C(COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1)NCc1ccccn1 9060880 LBULICDIWKVVGB-UHFFFAOYSA-N 402.406 3.256 0 40 HGAB biogenic Cc1cc(=O)oc2cc(OCc3nnnn3-c3ccc(Br)cc3)ccc12 9306308 RQLHAZDWHLFGFN-UHFFFAOYSA-N 413.231 3.419 0 40 HGAB CCOc1ccc(C(=O)NCc2nnnn2-c2ccc(Cl)cc2)cc1OCC 9570731 MGYJJJBSHLYZDO-UHFFFAOYSA-N 401.854 3.043 0 40 HGAB Cn1c(=O)n(CCCc2ccccc2)c(=O)c2c1nc1oc(-c3ccc(F)cc3)cn12 9789725 XLXVWLAPSKCGRY-UHFFFAOYSA-N 418.428 3.380 0 40 HGAB Cc1nc(Nc2nc3ccccc3o2)ncc1C(=O)N1CCN(c2ccccn2)CC1 10157608 BHMUYBZIDBRIKI-UHFFFAOYSA-N 415.457 3.027 0 40 HGAB CCOC(=O)/C=C/c1ccc(NC(=O)CSc2nnnn2-c2cccc(C)c2)cc1 11649941 MBEIQMXLGYNUBE-FMIVXFBMSA-N 423.498 3.278 0 40 HGAB CCc1ccc(NC(=O)CN2CCN(c3nccn3-c3ccccc3F)CC2)cc1 11695771 KKFIRJKWEGBJRV-UHFFFAOYSA-N 407.493 3.335 0 40 HGAB COc1cc(-c2nnc(SC)n2-c2ccc3c(c2)OCO3)cc(OC)c1OC 12418819 ZUQDLNVWIJIZCD-UHFFFAOYSA-N 401.444 3.411 0 40 HGAB O=C1Nc2cc(Cl)ccc2S[C@@H]1CC(=O)N1CCN(c2ccccc2O)CC1 12555893 ARIDZMBYYIURQG-GOSISDBHSA-N 417.918 3.197 0 40 HGAB CS(=O)(=O)Nc1cc(NC(=O)CCc2ncc(-c3ccccc3)o2)ccc1F 12736478 RRUPKPDPPMIMQQ-UHFFFAOYSA-N 403.435 3.424 0 40 HGAB CC[C@H](C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1C)c1ccccc1 12801209 AUINGBSSYXURSL-IBGZPJMESA-N 402.516 3.148 0 40 HGAB CCC(CC)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 12851234 KQKBQFHHPBLYKA-ZDUSSCGKSA-N 417.369 3.155 0 40 HGAB O=C(Cc1c(F)cccc1Cl)Nc1cc(S(=O)(=O)N2CCCC2)ccc1O 12870798 DPRYWGPHNZFNHG-UHFFFAOYSA-N 412.870 3.150 0 40 HGAB O=C(Nc1ccccc1)[C@@H]1[C@H]2C=C[C@]3(CN(CCc4c[nH]c5ccccc45)C(=O)[C@H]13)O2 12893744 YEVPHJIBDVTKJC-ILSIFQBBSA-N 413.477 3.131 0 40 HGAB COc1ccc(C(=O)N2CCN(C(=O)C(C)(C)Oc3ccc(Cl)cc3)CC2)cc1 12985101 ACAJASIEYQDVOJ-UHFFFAOYSA-N 416.905 3.491 0 40 HGAB O=C(O)c1ccccc1[C@@H]1[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2ON1c1ccccc1 13758321 GIRNNZHTRKWVQL-PWRODBHTSA-N 414.417 3.436 0 40 HGAB COc1ccc(CCNC(=O)CNc2ncnc3sc(C)c(C)c23)cc1OC 14171381 ADOKTYPNTYNSBU-UHFFFAOYSA-N 400.504 3.096 0 40 HGAB Cc1ccc([C@H](CNC(=O)c2cc(=O)c3cc(Br)ccc3o2)N(C)C)o1 15860373 AXVVHFKNTKWNBK-AWEZNQCLSA-N 419.275 3.490 0 40 HGAB O=C(COC(=O)c1cc(=O)[nH]c2ccccc12)NCCc1ccc(Cl)cc1Cl 16050684 WDVIOASXGCKWDA-UHFFFAOYSA-N 419.264 3.351 0 40 HGAB Cc1nn(C(=O)c2cc3c(s2)CCCC3)c(C)c1S(=O)(=O)N1CCCCC1 16976071 FNDSRAHHLBCUMG-UHFFFAOYSA-N 407.561 3.303 0 40 HGAB COc1ccc(NC(=O)[C@H](c2ccc(C)cc2)N(C)C(=O)c2ccc(=O)[nH]c2)cc1 18250322 HNPNRALBDSQRPK-NRFANRHFSA-N 405.454 3.144 0 40 HGAB Cc1cc(-c2cnc(N3CCOCC3)nc2[C@@H]2CCCN(C(=O)C(C)(C)C)C2)on1 19122018 VKKNQJIBFKZUHK-MRXNPFEDSA-N 413.522 3.029 0 40 HGAB Cc1cc2n(n1)[C@@H](C(F)F)C[C@@H]([C@@H]1CCCN(C(=O)[C@H](C)N3CCCCC3)C1)N2 19127280 CRIDRIBBLXSDEO-XWTMOSNGSA-N 409.525 3.295 0 40 HGAB O=C(Cc1noc2ccccc12)Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 19204889 UHIDMDOUBCIAME-UHFFFAOYSA-N 419.890 3.447 0 40 HGAB CNC(=O)[C@@]1(Cc2ccccc2-c2cccs2)CCCN(C(=O)c2cc[nH]n2)C1 19591172 VKXCGZMSYJQFFA-JOCHJYFZSA-N 408.527 3.349 0 40 HGAB COc1ccc(CCNC(=O)C2CCN(Cc3ccccc3F)CC2)cc1OC 19808145 LZMKCVQQWQDXPE-UHFFFAOYSA-N 400.494 3.414 0 40 HGAB COc1ccc(CC(=O)N2CC[C@@H](CC(=O)O)[C@@H](CCN3CCCCC3)C2)cc1 20463057 KXPBTVJQRUGLGG-PMACEKPBSA-N 402.535 3.053 0 40 HGAB biogenic,in-vitro Cc1nnc(S[C@H](C)C(=O)c2ccc3c(c2)NC(=O)CO3)n1Cc1ccccc1 21475382 QFYWOCPAISXHJE-CYBMUJFWSA-N 408.483 3.329 0 40 HGAB COc1ccc([C@@H](CC(=O)OC(C)C)NC(=O)c2ccc3c(c2)CCC(=O)N3)cc1 21840627 ZXXUKMGQDGOCKZ-HXUWFJFHSA-N 410.470 3.393 0 40 HGAB Cc1ccccc1OC[C@H](C)NC(=O)CN(c1cc(Cl)ccc1C)S(C)(=O)=O 22337011 JZGHCQGXPKPYOG-INIZCTEOSA-N 424.950 3.307 0 40 HGAB Cn1ccnc1[C@@H](NS(=O)(=O)c1cccc(OC(F)(F)F)c1)c1ccccc1 24378176 IFDDZCXUTQBDBY-INIZCTEOSA-N 411.405 3.387 0 40 HGAB CCCCn1c(CCC(=O)N[C@@H](C)CCC)nc2cc(S(=O)(=O)N(C)C)ccc21 27460889 HYWQUYGWQGPCIP-INIZCTEOSA-N 422.595 3.324 0 40 HGAB O=C(COc1ccccc1Cl)Nc1nc2ccccc2n1CCN1CCOCC1 28228013 SKJPMNCCTXXBQC-UHFFFAOYSA-N 414.893 3.039 0 40 HGAB C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)NCCCC3CCCC3)c2)C[C@@H](C)O1 31145814 JSXRUIYWNQGMCI-IAGOWNOFSA-N 408.564 3.185 0 40 HGAB CC(=O)c1cccc(N2C(SCc3ccccc3C)=N[C@@H]3CS(=O)(=O)C[C@@H]32)c1 32641044 XUEQHIJITOJKFT-UXHICEINSA-N 414.552 3.473 0 40 HGAB COCCN(Cc1cccs1)S(=O)(=O)c1cc(Br)ccc1OC 32724456 QQFIYPPSGHGYFE-UHFFFAOYSA-N 420.350 3.357 0 40 HGAB Cc1ccc(-n2ncc([C@H](C)NS(=O)(=O)c3ccc4c(c3)OCCO4)c2C)cc1 32808839 FAORAZVNHCKMGK-HNNXBMFYSA-N 413.499 3.300 0 40 HGAB COC(=O)C[C@H](NC(=O)CCC(=O)CCC(=O)c1cccs1)c1ccccc1 32809681 LZFDNNIAMCKPGR-KRWDZBQOSA-N 401.484 3.481 0 40 HGAB COc1ccc(NC(=O)c2ccc(S(C)(=O)=O)cc2)cc1OCc1cccnc1 32832224 XEQPNLCUBFHRDF-UHFFFAOYSA-N 412.467 3.325 0 40 HGAB Cc1ccc2c(=O)cc(CSCC(=O)NCc3ccc4c(c3)OCO4)[nH]c2c1C 33064023 SWYNEDLGRQJVGN-UHFFFAOYSA-N 410.495 3.423 0 40 HGAB CCCS(=O)(=O)N1CCc2ccc(NC(=O)c3ccc4nsnc4c3)cc2C1 38678276 VNNOYJSTWARNFX-UHFFFAOYSA-N 416.528 3.042 0 40 HGAB COc1cc(OC)cc(C(=O)N2CCC(C(=O)Nc3cccc(C(C)=O)c3)CC2)c1 42198965 AEAPBNALVNBNRC-UHFFFAOYSA-N 410.470 3.397 0 40 HGAB COc1ccc2c(ccn2CC(=O)N[C@@H](CCSC)c2nnc3ccccn23)c1 47075064 XBBLLJRCQPIZQJ-KRWDZBQOSA-N 409.515 3.303 0 40 HGAB CCOC(=O)c1ccccc1NC(=O)CN1CCC(c2nnc(-c3ccco3)o2)CC1 49372024 PSPPZUHGPYGPQK-UHFFFAOYSA-N 424.457 3.324 0 40 HGAB CCOc1cccc(CNS(=O)(=O)c2cc(Br)ccc2OC)c1 56071306 WLDDSPURFLFJDD-UHFFFAOYSA-N 400.294 3.335 0 40 HGAB C[C@H](C(=O)Nc1cccc(NC(=O)NC[C@H]2Cc3ccccc3O2)c1)n1cccn1 65627160 PSVAFGSUXVEVHH-DNVCBOLYSA-N 405.458 3.208 0 40 HGAB C[C@H]1C[C@H](C)CN(C(=O)CN2CCC[C@H](n3c(=O)oc4ccc(Cl)cc43)C2)C1 72347841 WDTZTVGVLFXGIB-ZOBUZTSGSA-N 405.926 3.389 0 40 HGAB Cc1cccc(OC2CCN(C(=O)CCc3ccc4c(c3)n(C)c(=O)n4C)CC2)c1 72391816 DUTHVKUZFBEZIP-UHFFFAOYSA-N 407.514 3.188 0 40 HGAB COc1ccc(C2=NN(C(C)=O)[C@@H](c3cc(OC)c(OC)c(OC)c3)C2)c(OC)c1 89930401 OVFDFMWEIKNRKK-GOSISDBHSA-N 414.458 3.427 0 40 HGAB Cc1ccc(NC(=O)N2CCOCC[C@@H]2C)cc1NC(=O)N1CCOCC[C@@H]1C 95459964 ITAZBQWOZXOUCK-IRXDYDNUSA-N 404.511 3.280 0 40 HGAB COc1cccc([C@@H](O)CN(Cc2ccccc2)S(=O)(=O)N(C)[C@H](C)C2CC2)c1 95462022 UHFRZFAVSQLVTL-VGSWGCGISA-N 418.559 3.206 0 40 HGAB CN(C)c1ncc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)[C@H]3CCCO3)CC2)n1 100738946 HXYNTIKYOYMOCC-IMFGXOCKSA-N 409.534 3.174 0 40 HGAB Cc1ccc(NC(=O)c2nnn3c2NC(C(=O)O)=C[C@H]3c2ccc(Cl)cc2)cc1 101353384 MEEJLTUHELLUDW-INIZCTEOSA-N 409.833 3.476 0 40 HGAB CCN(Cc1cc(Br)ccc1F)C(=O)Cn1c(=O)n(C)c2ccccc21 105914265 GKSWJLUJUWGXKR-UHFFFAOYSA-N 420.282 3.290 0 40 HGAB COC(=O)[C@@H]1C[C@H](Oc2ccccc2F)CN1C(=O)c1cc(Cl)ccc1OC 206797372 RGDKIUWWSOXZGY-BBRMVZONSA-N 407.825 3.323 0 40 HGAB CN(CC(=O)NCCSCc1ccco1)S(=O)(=O)c1ccc2ccccc2c1 219700180 VEVHALRGJRYKHU-UHFFFAOYSA-N 418.540 3.103 0 40 HGAB COc1ccc(C)cc1N([C@@H](C)C(=O)NCc1ccc(Cl)cc1)S(C)(=O)=O 220331389 KMXRSUAXNVRXAV-AWEZNQCLSA-N 410.923 3.128 0 40 HGAB CCCCNC(=O)c1ccccc1NC(=O)c1ccc(C)c(N(C)S(C)(=O)=O)c1 222456015 SQXOOPDECMPMCR-UHFFFAOYSA-N 417.531 3.173 0 40 HGAB CC[C@@H](C(=O)NC)N(Cc1ccccc1)C(=O)CN1C(=O)c2cccc3cccc1c23 222943533 PVJHHBOBAWWDBM-FQEVSTJZSA-N 415.493 3.353 0 40 HGAB COCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(C)=O 223119083 OPUSQIAFRIFJJS-NRFANRHFSA-N 402.922 3.453 0 40 HGAB COc1ccc(S(=O)(=O)NCc2c(OC)cccc2OC)c(Cl)c1Cl 223717367 UDXDAFCANAVJFA-UHFFFAOYSA-N 406.287 3.498 0 40 HGAB CC(C)c1ccccc1OCCNC(=O)[C@@H](C)N(c1cccc(F)c1)S(C)(=O)=O 223801998 RLJRPGJFGKIMFM-MRXNPFEDSA-N 422.522 3.299 0 40 HGAB CCN(c1cc(C(=O)OC)ccc1Cl)S(=O)(=O)c1ccc(NC(C)=O)cc1 224902155 VSGGFEQCEBMAQI-UHFFFAOYSA-N 410.879 3.300 0 40 HGAB COc1ccc2c(c1)O[C@]1(C[C@H]3CC[C@H]1C[C@@H]3C(=O)NCCc1ccccc1)NC2=O 247965763 SCGUHDRBLOOLMO-DTOBJMFKSA-N 420.509 3.309 0 40 HGAB Cc1nc(C)c(C(=O)N2CC[C@H](Oc3cccc(Cl)c3)[C@@H](CC(N)=O)C2)s1 257212258 CCOFJGWLCOAHOT-BBRMVZONSA-N 407.923 3.198 0 40 HGAB COc1ccc(-c2nnc3n2C2(CCN(Cc4cccs4)CC2)CN(C)C3)cc1 306123538 APRMOUGOUXBFBX-UHFFFAOYSA-N 409.559 3.452 0 40 HGAB CCOC(=O)c1c(NC(=O)c2ccc(CN3CCOCC3)cc2)sc2c1CCC2 408576446 UVXWJFJZDYJCPR-UHFFFAOYSA-N 414.527 3.498 0 40 HGAB CCOC(=O)c1ccccc1NC(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O 408706478 YWYBPFWSBHQZJY-UHFFFAOYSA-N 422.478 3.187 0 40 HGAB O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ncc[nH]1)c1ccccc1Cl 511405664 OIGDENWOMDFJMZ-LJQANCHMSA-N 421.888 3.202 0 40 HGAB Cc1cccc(Nc2cc(C[C@@H]3CCCN(C(=O)/C=C/c4cnc[nH]4)C3)ncn2)n1 585291279 MQVPZNFKVPCVTG-OZSKJFCKSA-N 403.490 3.141 0 40 HGAB O=C1COc2ccc(C(=O)N3CCCC4=C[C@H]5C[C@@H](CN6CCCC[C@H]56)[C@@H]43)cc2N1 604404057 AQGXPEQKXOPOBJ-DSXMGRQXSA-N 407.514 3.053 0 40 HGAB biogenic O=S1(=O)CCC(CN2CCC[C@@H](COc3ncccc3C(F)(F)F)C2)CC1 1775995727 GJTDUWDIPNSVGW-OAHLLOKOSA-N 406.470 3.016 0 40 HGAB Cc1cnc(OC[C@@]23CCC[C@@H]2CN(C(=O)c2cc(-c4cccnc4)on2)C3)nc1 1888904139 AIWLGOOPWYUHDH-VGSWGCGISA-N 405.458 3.156 0 40 HGAB CCOc1cc([C@@H]2C(C(=O)OC)=C(C)Nc3nnnn32)ccc1OCc1ccccc1 915085 WYQZIDKYMHRHOD-HXUWFJFHSA-N 421.457 3.113 0 40 HGAB CCOc1ccc(NC(=S)N(CCO)Cc2cc3cccc(C)c3[nH]c2=O)cc1 1224300 AIOGOPBBGLUDEL-UHFFFAOYSA-N 411.527 3.427 0 40 HGAB O=C(c1ccc(Cl)cc1)N1CCN(c2ncnc3c2cnn3-c2ccccc2)CC1 1372325 VQJRYVGPKYHBSE-UHFFFAOYSA-N 418.888 3.431 0 40 HGAB O=C1c2ccccc2C(=O)N1CCCc1nc2ccccc2c(=O)n1-c1ccccn1 1459259 NSUKEUAQDGRSMH-UHFFFAOYSA-N 410.433 3.010 0 40 HGAB CC[C@@H](C(=O)OCc1ccccc1)n1cnc2sc(C(=O)OC)c(C)c2c1=O 1784719 DRBDZFCRAZNJCM-AWEZNQCLSA-N 400.456 3.248 0 40 HGAB CCCc1cc(=O)oc2cc(O[C@H](C)C(=O)N[C@@H](Cc3ccccc3)C(=O)O)ccc12 2155790 NKZUWQCOEXYFLA-QRWLVFNGSA-N 423.465 3.325 0 40 HGAB biogenic COc1ccc(C(=O)N2CCN(c3nc4c(F)cccc4s3)CC2)c(OC)c1 4583502 WKQXJUHVLLAZFJ-UHFFFAOYSA-N 401.463 3.415 0 40 HGAB CCn1c(SCC(=O)Nc2nnc(C3CC3)s2)nnc1-c1cccc(OC)c1 4736345 JPRNFKLQMUBVBF-UHFFFAOYSA-N 416.532 3.433 0 40 HGAB CCn1c(CNC(=O)c2ccco2)nnc1SCC(=O)Nc1ccc(C)c(C)c1 4814962 ADHHFXQACMBJSM-UHFFFAOYSA-N 413.503 3.169 0 40 HGAB O=C(CSc1nc2ccccc2n1CC(=O)N1CCCCC1)N1CCCCC1 4859164 ATDKFMYELAXZES-UHFFFAOYSA-N 400.548 3.153 0 40 HGAB Cc1cc(NC(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)ccc1Br 5422961 XBDSTCBRBOSORA-UHFFFAOYSA-N 408.296 3.293 0 40 HGAB COC(=O)c1ccc(/C=C/C(=O)OCC(=O)Nc2ncc(Cl)cc2Cl)cc1 5937744 AQOGMDYDPJJKGO-QPJJXVBHSA-N 409.225 3.370 0 40 HGAB CCCn1nnnc1COC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1OC 7020667 YBTKFNIVNRNPEU-UHFFFAOYSA-N 418.457 3.301 0 40 HGAB Cc1cc(C)cc(OCc2nnc(SCC(=O)Nc3cccc(F)c3)n2N)c1 7314931 BPPRASQZVLHNOR-UHFFFAOYSA-N 401.467 3.058 0 40 HGAB COc1ccc(Cc2nnc(SCC(=O)N3CCCc4ccccc43)n2C)cc1 7341783 UOIQZJOALLPFAC-UHFFFAOYSA-N 408.527 3.486 0 40 HGAB O=c1[nH]c2ccc(S(=O)(=O)N(Cc3cccs3)Cc3cccs3)cc2[nH]1 7688992 ACFQWTAGTQBNDX-UHFFFAOYSA-N 405.526 3.370 0 40 HGAB NC(=O)COc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc3c(c2)OCO3)cc1 8194687 QWHMWSJWYHYOGK-JOCHJYFZSA-N 417.421 3.051 0 40 HGAB COc1ccc(OC)c(NC(=O)c2ccc(N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)cc2)c1 8434142 NAVBNIBBUYWFSJ-QZTJIDSGSA-N 406.438 3.412 0 40 HGAB COc1ccc(-c2nnc(CSc3nnc(Cc4ccccc4F)n3N)o2)cc1 8703881 DMFLOFJHMVTJSN-UHFFFAOYSA-N 412.450 3.073 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)CC2)cc1 9579315 CSJBUNARHZZTMZ-RZQQEMMASA-N 408.564 3.037 0 40 HGAB O=C(CN(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1)Nc1c(Cl)cccc1Cl 10833986 ZCLQHYCHYDTMOR-GFCCVEGCSA-N 417.314 3.214 0 40 HGAB COc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)c2cccnc2)CC3)c(C)c1 11906501 ZJLVUOVLSOKMLO-UHFFFAOYSA-N 423.494 3.402 0 40 HGAB Cc1ccc(-c2cc(C(=O)N(Cc3ccc(C)o3)[C@H]3CCS(=O)(=O)C3)no2)cc1 12062474 MWLJRQLNEYWWCE-KRWDZBQOSA-N 414.483 3.381 0 40 HGAB COc1cc(C(=O)N2CCC[C@H](c3nc(C)nc4ncccc34)C2)cc(OC)c1OC 12254005 PTXZWFWGCXFFTI-HNNXBMFYSA-N 422.485 3.379 0 40 HGAB Cc1ccn2cc(C(=O)Nc3c(C(=O)N4CCOCC4)oc4ccccc34)nc2c1 12507269 DZBDCPHROZHXGK-UHFFFAOYSA-N 404.426 3.114 0 40 HGAB CCOC(=O)c1cnc(S[C@@H](C)c2nnc(-c3ccc(OC)cc3)o2)nc1N 12633551 NMEBXTXBAXSWNI-JTQLQIEISA-N 401.448 3.147 0 40 HGAB O=C(NCCNS(=O)(=O)c1cccc(Cl)c1)c1ccc(C(F)(F)F)cc1 12737138 DWIHRYOCUATZQF-UHFFFAOYSA-N 406.813 3.067 0 40 HGAB CN(C1CCCCC1)S(=O)(=O)c1cccc(C(=O)NC2(C(=O)O)CCCCC2)c1 12770526 NHGWQUAPSIAXRR-UHFFFAOYSA-N 422.547 3.157 0 40 HGAB CN(Cc1nc2ccccc2s1)CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O 12936610 USQYLALFWRECFM-JOCHJYFZSA-N 406.511 3.469 0 40 HGAB CCc1sc(C(=O)N2CCN([C@@H](C(N)=O)c3ccc(Cl)cc3)CC2)cc1C 14198162 QJTPRUJHOMIUGU-GOSISDBHSA-N 405.951 3.257 0 40 HGAB Cc1ccc(C(=O)N2CCCC[C@H]2c2nc(O)c3c(n2)CN(C(=O)C2CC2)CC3)cc1 19135392 OBIOWJSKRRUEJI-FQEVSTJZSA-N 420.513 3.153 0 40 HGAB Cc1nc([C@@H]2CN(C(=O)Cc3ccccc3F)C[C@H]2c2ccccc2F)cc(=O)[nH]1 19285522 FLFLCYGBZIUXTP-ZWKOTPCHSA-N 409.436 3.309 0 40 HGAB NC(=O)[C@]1(Cc2cccc(-c3ccccc3)c2)CN(C(=O)c2ccccc2)CCO1 19374219 WWJCBCZEBSEUKG-VWLOTQADSA-N 400.478 3.293 0 40 HGAB Cc1noc2nc([C@H]3CCCN(C(=O)[C@H](C)N4CCCC4=O)C3)cc(C(F)(F)F)c12 19563740 XNKLMBMGBSVXPZ-STQMWFEESA-N 424.423 3.267 0 40 HGAB COc1cccc([C@]2(O)CCC[C@@H]3CN(C(=O)c4ccc(Cn5ccnc5)o4)C[C@@H]32)c1 19565030 PUOVVUAOMKNVBT-QATBIIFWSA-N 421.497 3.293 0 40 HGAB COc1cccc(-c2cccc(C[C@H]3CN(C(=O)c4ccncc4)CCNC3=O)c2)c1 19566716 NIUKSDVYYMTLGQ-QFIPXVFZSA-N 415.493 3.188 0 40 HGAB Cc1cc(C(F)(F)F)c2c(=O)[nH]c([C@H]3CCCN(C(=O)c4cnn(C)c4)C3)cc2n1 19568514 QYDDGWHTPKOUMV-LBPRGKRZSA-N 419.407 3.004 0 40 HGAB Cc1cc(C)c2cc([C@H](c3nnnn3C3CCCCC3)N3CCOCC3)c(=O)[nH]c2c1 19569187 AJVWCMWYSKXVSR-OAQYLSRUSA-N 422.533 3.058 0 40 HGAB CN(C)c1ncc(-c2cccc(C(N)=O)c2)c([C@@H]2CN(C3CCCCC3)CCO2)n1 19694886 MTECMPWDAZWPOZ-FQEVSTJZSA-N 409.534 3.015 0 40 HGAB CCOc1cccc2sc(NS(=O)(=O)c3ccc4c(c3)CC(=O)N4C)nc12 19715516 CGFYTBPWGLLDBI-UHFFFAOYSA-N 403.485 3.015 0 40 HGAB Cc1nc([C@@H]2CCCN2C(=O)C2CCN(C)CC2)ncc1C(=O)Nc1ccccc1 19765852 XRDQDRSKENOXLH-FQEVSTJZSA-N 407.518 3.043 0 40 HGAB Cc1ccccc1CS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(F)cc2F)C1 19858076 WFPMPBANXMWPRM-HNNXBMFYSA-N 408.470 3.454 0 40 HGAB CCN1CCN(CCC(=O)Nc2sc(-c3ccccc3)cc2C(=O)OC)CC1 19902609 QITLIIUNRNKWTR-UHFFFAOYSA-N 401.532 3.168 0 40 HGAB C[C@@H]1Oc2ccccc2N(CCC(=O)Nc2nc(CN3CCCCC3)cs2)C1=O 22290443 RYBZHQWUVIXKQK-HNNXBMFYSA-N 414.531 3.272 0 40 HGAB O=C(Cc1ccc(F)cc1)N(CCN1CCOCC1)c1nc2c(F)cccc2s1 22998340 CDSKAJWVUWHSMH-UHFFFAOYSA-N 417.481 3.482 0 40 HGAB Cc1nc2sc([C@@H](c3ccc(Cl)cc3)N3CCC4(CC3)OCCO4)c(O)n2n1 23156952 NZUGJLXMEVJLHS-OAHLLOKOSA-N 420.922 3.387 0 40 HGAB CN(C)S(=O)(=O)c1cccc(S(=O)(=O)Nc2ccccc2-c2cccs2)c1 24375254 XRVYTZXWROKZKF-UHFFFAOYSA-N 422.553 3.466 0 40 HGAB COc1ccccc1-c1cc(COC(=O)Cc2csc(N3CCCC3=O)n2)on1 26276394 LDEQYJFNKRGREA-UHFFFAOYSA-N 413.455 3.219 0 40 HGAB COc1ccc([C@@H](C)NC(=O)CCc2c(C)nc3nc(SC)nn3c2C)cc1F 26801967 XWXRSHRDCMXZGF-LLVKDONJSA-N 417.510 3.421 0 40 HGAB Cn1cc(C(=O)N2CCO[C@H](c3ccccc3)C2)c(-c2ccc3c(c2)OCCCO3)n1 27907773 LKZIWUDRRSKINY-QFIPXVFZSA-N 419.481 3.462 0 40 HGAB O=C(OCc1ccc(C(=O)N2CCCC2)cc1)C1CCN(C(=O)c2ccco2)CC1 28030491 FXSNYQIDNCUDMY-UHFFFAOYSA-N 410.470 3.111 0 40 HGAB O=C([C@@H](Sc1nnc(C2CC2)n1Cc1ccco1)c1ccccc1)N1CCOCC1 32741617 GVKYYHWCOSOAFW-IBGZPJMESA-N 424.526 3.489 0 40 HGAB C[C@H](Sc1nc(O)c2cnn(-c3ccccc3)c2n1)C(=O)NCc1ccc(F)cc1 32774482 JTZKNBHICHCHMN-ZDUSSCGKSA-N 423.473 3.457 0 40 HGAB CSc1nnc(CCCNC(=O)/C=C/c2ccc3c(c2)CCO3)n1CC(C)C 32865875 UPCGJWWVFCRREN-VQHVLOKHSA-N 400.548 3.353 0 40 HGAB C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C(=O)N(C)c2ccccc2-c2ccccc21 34011073 ZTVCVLSIDBUUKS-LIRRHRJNSA-N 409.486 3.401 0 40 HGAB CCCOc1ccc2ccccc2c1CN(C)S(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 36390296 MZENNGFANOQIJQ-IAGOWNOFSA-N 406.548 3.414 0 40 HGAB Cc1onc(-c2ccccc2Cl)c1C(=O)NCCNc1cc(-n2cccn2)ncn1 36705472 AWLDOERMNRDNKX-UHFFFAOYSA-N 423.864 3.121 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NCCCOC2CCCCC2)cc1 39985543 YRTWAGBGEHLIIH-HXUWFJFHSA-N 408.564 3.004 0 40 HGAB Cn1cc(C(=O)NC2CCN(C(=O)CCc3ccc(-c4ccccc4F)o3)CC2)cn1 40122201 WPULEPRNKBNIDG-UHFFFAOYSA-N 424.476 3.173 0 40 HGAB O=C(c1[nH]c2ccc(F)cc2c1Cl)N1CCN(S(=O)(=O)c2ccccc2)CC1 40144102 NHCIZPIDWTVYFH-UHFFFAOYSA-N 421.881 3.107 0 40 HGAB CN(C)[C@@H](CNC(=O)Nc1ccc(-n2cncn2)cc1C(F)(F)F)c1ccco1 47673502 PIRVOWUKQPCKGT-HNNXBMFYSA-N 408.384 3.304 0 40 HGAB COc1ccc(CNC(=O)c2nnn(-c3ccc(C)c(Cl)c3)c2C)cc1OC 51317792 XKHAYZSMYPPPHD-UHFFFAOYSA-N 400.866 3.485 0 40 HGAB CC(C)[C@@H](c1nnnn1C[C@H]1CCCO1)N1CCN(c2cccc(Cl)c2)CC1 57670358 PKSCXRDJJQPXCK-MOPGFXCFSA-N 404.946 3.025 0 40 HGAB O=C(NCC1(c2ccc3c(c2)OCO3)CCOCC1)c1cccc(NC(=O)C2CC2)c1 60064314 VOWPUOKPQVJTST-UHFFFAOYSA-N 422.481 3.242 0 40 HGAB O=C1Nc2ncccc2O[C@@H]1CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1 63110733 HEQVOSRDANSIJE-QGZVFWFLSA-N 407.301 3.300 0 40 HGAB CC(C)c1ccc(N2C(=O)CN(C3CCCCCC3)[C@H]3CS(=O)(=O)C[C@@H]32)cc1 63389186 OLHOSTGLYPRTOV-SFTDATJTSA-N 404.576 3.347 0 40 HGAB Cc1ccc(NC(=O)CN2N=C(c3nc(-c4ccc(F)cc4)no3)CCC2=O)c(C)c1 65197203 OZIDYXCGAIOPGY-UHFFFAOYSA-N 421.432 3.458 0 40 HGAB Cc1cc2nc(SCC(=O)NCCc3cccs3)n(CC(C)C)c(=O)c2[nH]1 67239373 QROOCINXGVJJGY-UHFFFAOYSA-N 404.561 3.202 0 40 HGAB COc1ccc(CNC(=O)Cn2c(Nc3cc(C)cc(C)c3)nc(C)cc2=O)cc1 67246418 MEIQVTOMAJVMNP-UHFFFAOYSA-N 406.486 3.237 0 40 HGAB CCCCN(C)C(=O)Cn1nc2c(SCc3ccc(Cl)cc3)nccn2c1=O 67255362 DBDZLEOFLHWUJY-UHFFFAOYSA-N 419.938 3.095 0 40 HGAB Cc1ccccc1N1CCN(C(=O)c2sccc2NC(=O)c2cnccn2)CC1 67335891 QWRRBECLNLPHCG-UHFFFAOYSA-N 407.499 3.061 0 40 HGAB CCNC(=O)[C@]1(Cc2cccc(-c3cccc(F)c3)c2)CCCN(C(=O)COC)C1 72391562 HDHAQMZMZZYRTL-DEOSSOPVSA-N 412.505 3.427 0 40 HGAB Cc1nccn1-c1ccc([C@H](C)NS(=O)(=O)c2ccc3oc(=O)ccc3c2)cc1 79048552 JRJMFWGGLPQOSK-AWEZNQCLSA-N 409.467 3.327 0 40 HGAB COc1ccc(NC(=O)Cn2cc(OCc3ccccc3Cl)c(=O)cc2C)cn1 79487150 XGDAQBOEOOFUBC-UHFFFAOYSA-N 413.861 3.431 0 40 HGAB CN(CCO)C1(CNC(=O)C2(c3cccc(Cl)c3)CCOCC2)CCCCC1 83860960 JFCSRLSTVPMUEF-UHFFFAOYSA-N 408.970 3.131 0 40 HGAB CN(C)CCNC(=O)C[C@H]1CC2(CCN(Cc3ccncc3)CC2)c2ccccc21 96052882 PODQEYSRLLPNOT-NRFANRHFSA-N 406.574 3.171 0 40 HGAB CCc1ccccc1NC(=O)N1CC[C@]2(C1)CN(c1cccc(F)c1)C(=O)CN2C 96237969 BUXHHMDRUVIBAK-QHCPKHFHSA-N 410.493 3.343 0 40 HGAB COc1cccc([C@@H]2CC(c3ccccc3NS(C)(=O)=O)=NN2C(=O)C(C)C)c1 97105759 IJDQFPWCDWONOB-FQEVSTJZSA-N 415.515 3.400 0 40 HGAB Cc1cc(N2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)nn1Cc1ccc(Cl)cc1Cl 102631936 VNQCGRGVWMGPII-SRABZTEZSA-N 406.269 3.213 0 40 HGAB Cc1ccc(N([C@H](C)C(=O)N2CCc3ccccc3C2)S(C)(=O)=O)cc1Cl 220356492 ARRMSDRONPBSSP-OAHLLOKOSA-N 406.935 3.388 0 40 HGAB C[C@H](C(=O)NCCSc1ccccc1)N(c1ccc(F)c(F)c1)S(C)(=O)=O 220445786 QZXFLYUBRHRRBL-CYBMUJFWSA-N 414.499 3.028 0 40 HGAB CCOC(=O)c1cccc(NC(=O)c2ccc(C)c(N(C)S(C)(=O)=O)c2)c1C 222460163 OGFPNBUNCVACJY-UHFFFAOYSA-N 404.488 3.128 0 40 HGAB CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1cccc(C(C)=O)c1 222590606 FVMYKSHGYHOHJD-LJQANCHMSA-N 404.488 3.081 0 40 HGAB CCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)COc1cccc(Cl)c1 224047335 RBUKDQBVOASOGM-OAHLLOKOSA-N 404.894 3.281 0 40 HGAB COc1ccccc1N(CCCC(=O)NC[C@@H](C)c1ccccc1)S(C)(=O)=O 224739301 RALSEDDXPWJFIA-QGZVFWFLSA-N 404.532 3.161 0 40 HGAB CCc1ccc(CC)c(CNC(=O)[C@@H]2CCN(S(C)(=O)=O)c3ccccc3O2)c1 225288464 VBOQFMDAYWNKTE-NRFANRHFSA-N 416.543 3.045 0 40 HGAB Cc1csc(Nc2cccc(C3CCN(CC(=O)NCc4ccccn4)CC3)n2)n1 257229445 FYDSDHKCLBTIAX-UHFFFAOYSA-N 422.558 3.481 0 40 HGAB CO[C@H]1CC[C@H](C(=O)NCCNc2nc(-c3ccncc3)cc3ncccc23)CC1 257252161 JTTRKMRLGAZXEM-IYARVYRRSA-N 405.502 3.425 0 40 HGAB CC(C)CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2)cc1 408586455 AGEMMNNWJSESMA-SJORKVTESA-N 404.532 3.266 0 40 HGAB COc1cc(/C=C2/NC(=O)NC2=O)c(Br)cc1OCc1cccc(F)c1 409050060 ZTUZYJBASWPSBZ-MKMNVTDBSA-N 421.222 3.356 0 40 HGAB O=C(N[C@H]1C(=O)N/[N+](=C\c2ccc(F)cc2)[C@@H]1c1ccccc1)c1ccc(Cl)cc1 409071083 OINGYPGZOSFFRG-MAEDJNRBSA-O 422.867 3.495 0 40 HGAB CCOC(=O)COc1ccc(S(=O)(=O)Nc2ccccc2C(F)(F)F)cc1 409120502 WJVKKTOYAACOCB-UHFFFAOYSA-N 403.378 3.448 0 40 HGAB CCOc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)c(C)cc1OC 409213889 VBXNUMCBGVMEBA-PDGQHHTCSA-N 418.515 3.451 0 40 HGAB O=C1[C@H]2[C@H]3C[C@H]4[C@@H]2[C@@]2(C(=O)Nc5cccc(C(=O)N6CCc7ccccc76)c5)[C@@H]4[C@@H]3[C@@H]12 503490042 UZGKUMSDLASOMZ-YFQBFKFMSA-N 410.473 3.155 0 40 HGAB COc1ccc(CCNC(=O)N(C)[C@H]2CCCN(c3ccccc3)C2=O)c(OC)c1 522446562 DAEJSBYYOXGOQP-FQEVSTJZSA-N 411.502 3.083 0 40 HGAB COc1cc2c(cc1OC)[C@H](CC(=O)O)N(C(=O)c1cc3ccccc3n1C)CC2 579067506 YVPHVIGZIFGDBI-SFHVURJKSA-N 408.454 3.410 0 40 HGAB O=C(Cc1cccc(F)c1)N1CCC2(CC1)Cn1c(-c3cccnc3)cnc1CO2 585106370 KAPMXBIVMRAGTF-UHFFFAOYSA-N 406.461 3.218 0 40 HGAB COC(=O)Nc1ccc(S(=O)(=O)NC[C@H](O)c2cc(-c3ccco3)cs2)cc1 1775971968 PORRPISHEXIVFB-HNNXBMFYSA-N 422.484 3.198 0 40 HGAB COc1ccc(CN(C)C(=O)c2ccc3c(c2)S(=O)(=O)c2ccccc2C3=O)cc1 2617851 UYTIKXSSQDXDSU-UHFFFAOYSA-N 421.474 3.345 0 40 HGAB COc1ccc(Cl)cc1NC(=O)COC(=O)Cc1cc(OC)c(OC)c(OC)c1 3224915 VJKSQZRDRCGXJQ-UHFFFAOYSA-N 423.849 3.099 0 40 HGAB COC(=O)c1cccc(NC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)c1 3559135 DXASLPBROQCDOT-UHFFFAOYSA-N 413.433 3.484 0 40 HGAB CC(C)(C)OC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OC(C)(C)C)[C@H]1c1ccc(O)cc1 4112419 IAIPIVRRJFSQNH-JFNLIGNMSA-N 420.502 3.115 0 40 HGAB COc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)CSc2nncn2C)cc1 4263097 SUZTVLRQUVZQNG-MRXNPFEDSA-N 413.528 3.355 0 40 HGAB Cc1cc(NC(=O)CN2C(=O)N[C@]3(CCCC[C@@H]3C)C2=O)ccc1Br 4515430 CUXBEEBBNICWRL-SGTLLEGYSA-N 408.296 3.197 0 40 HGAB CCN(CC)C(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC)cc1 4543742 DYOXZECQMGPNGV-UHFFFAOYSA-N 410.923 3.412 0 40 HGAB COc1cc(OC)c([C@H]2CC(=O)N(c3ccc(C)cc3)C3=C2C(=O)OC3)cc1OC 4944730 NORQZFRBQJMRNP-MRXNPFEDSA-N 409.438 3.352 0 40 HGAB O=c1/c(=C\c2cccc(O)c2)sc2n1[C@@H](c1ccccc1)C(c1ccccc1)=NN=2 5092604 ZSFGMKJRLRUHMR-QDUHJBTASA-N 411.486 3.071 0 40 HGAB CN(C)CCNC(=O)c1cc(Cl)cn(Cc2ccc(Cl)c(Cl)c2)c1=O 5207901 PPHWTCBHCKVMSC-UHFFFAOYSA-N 402.709 3.148 0 40 HGAB C[C@H]1C[C@H](C)CN(C(=O)c2ccccc2C(=O)OCC(=O)NCc2cccs2)C1 6113527 KXERRLGOKPWFTC-HOTGVXAUSA-N 414.527 3.339 0 40 HGAB CN(C)S(=O)(=O)c1ccc(Cl)c(NS(=O)(=O)c2cccc(Cl)c2)c1 6145051 WDGTWJVGFDXPEI-UHFFFAOYSA-N 409.316 3.045 0 40 HGAB Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)N3c4ccccc4C[C@@H]3C)s2)cc1 6817973 ZKHMTEONLDNYGU-ZDUSSCGKSA-N 414.512 3.239 0 40 HGAB O=C(NCCCc1ccccc1)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 7683754 PLBSMCQXMKUKCF-LJQANCHMSA-N 406.935 3.242 0 40 HGAB C[C@@H](NC(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1)c1ccc(F)cc1 8305375 BBLUAFPQUZNNPZ-OAHLLOKOSA-N 400.475 3.477 0 40 HGAB NC(=O)COc1ccc(/C=C/C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1 8369115 MPXPNWGWCNZWIF-OJWOGGGRSA-N 422.481 3.089 0 40 HGAB CCOC(=O)c1ccc(NC(=O)COC(=O)CCC(=O)Nc2cccc(C)c2)cc1 8413051 LUJVQGBWQVUAIX-UHFFFAOYSA-N 412.442 3.072 0 40 HGAB COCCCNC(=O)c1nc(-c2ccccc2)n(-c2ccc(Br)cc2)n1 8476409 FJAGEIBTRMUVHI-UHFFFAOYSA-N 415.291 3.463 0 40 HGAB Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H]1C(=O)Nc1ccc(C(C)(C)C)cc1 8724418 PWUZDDKLZFWCCI-QGZVFWFLSA-N 405.520 3.381 0 40 HGAB O=C(CN1C(=O)NC2(CCCC2)C1=O)Nc1nc(-c2ccc3c(c2)CCCC3)cs1 9056228 IHMUVWXMFQRPFK-UHFFFAOYSA-N 424.526 3.492 0 40 HGAB COCCNC(=O)c1ccccc1NC(=O)C1CCN(Cc2ccccc2F)CC1 9062721 OAOARRZADGEGFF-UHFFFAOYSA-N 413.493 3.053 0 40 HGAB Cc1ccccc1-n1c(SCc2nnc(-c3ccco3)o2)nnc1N1CCOCC1 9594384 AYLIRCJXZGLFAI-UHFFFAOYSA-N 424.486 3.348 0 40 HGAB Cc1csc2nc(CN3C(=O)N[C@@](C)(c4ccc(C(C)(C)C)cc4)C3=O)cc(=O)n12 10537778 NMXMDCLQZWSGPE-QFIPXVFZSA-N 424.526 3.329 0 40 HGAB COC(=O)[C@H](C)Sc1nc2ccc(Br)cc2c(=O)n1Cc1ccco1 11389665 WOYZDNYOYVZBQM-JTQLQIEISA-N 423.288 3.454 0 40 HGAB COc1ccc(OC)c(NC(=O)NCCNc2ccc(Nc3cc(C)ccn3)nn2)c1 11696790 GCQGOFAUGGDPHR-UHFFFAOYSA-N 423.477 3.174 0 40 HGAB COc1ccc(CC(=O)N2CCC[C@H]2Cn2nc(-c3ccc(F)cc3)ccc2=O)cc1 12141844 LSCCPOBYBAILRO-FQEVSTJZSA-N 421.472 3.292 0 40 HGAB CCn1nnc2cc(C(=O)OCc3cc4c(cc3Br)OCCO4)ccc21 12214634 TZBUDKJDMCRSDJ-UHFFFAOYSA-N 418.247 3.342 0 40 HGAB CCc1cc(C(=O)N[C@H]2CC(C)(C)Cc3nc(N4C[C@H](C)O[C@H](C)C4)ncc32)no1 12276627 WEKXXUKUSISKSG-IYOUNJFTSA-N 413.522 3.084 0 40 HGAB COc1ccc(CCC(=O)N2CCC([C@H](NC(C)=O)c3nccs3)CC2)cc1 12365727 ZXBXJRDDLHJQST-FQEVSTJZSA-N 401.532 3.200 0 40 HGAB O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)Nc1ccc(Cl)c(C(F)(F)F)c1 12608771 WFOIAQSZHFBMQV-UHFFFAOYSA-N 411.767 3.391 0 40 HGAB CN(CC(=O)Nc1ccc(Oc2ccccc2Cl)cc1)[C@@H]1CCS(=O)(=O)C1 12744980 SJJKYSVXTDZRLO-OAHLLOKOSA-N 408.907 3.190 0 40 HGAB CCN(CC)Cc1ccc(CNC(=O)c2cn(CC)c3nc(C)ccc3c2=O)cc1 12791078 AKMIYFONEKKUHR-UHFFFAOYSA-N 406.530 3.497 0 40 HGAB CCS(=O)(=O)N1CCc2cc(C3=NN=C(Nc4ccccc4F)SC3)ccc21 12798053 YQFPECGYIMMUEC-UHFFFAOYSA-N 418.519 3.457 0 40 HGAB O=C(COC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)NC(=O)c1ccc[nH]1 12817794 FWMAOSBYPUIGHX-UHFFFAOYSA-N 408.254 3.166 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)COc2c(C)cccc2C)c1 12822272 NLFHKFJDRFEUCR-UHFFFAOYSA-N 406.504 3.057 0 40 HGAB O=C(/C=C/c1cccc2cccnc12)OCC(=O)c1c[nH]c(C(=O)N2CCCC2)c1 12882169 AQLMFDIMCFEGSB-CMDGGOBGSA-N 403.438 3.238 0 40 HGAB CCc1cccc(N2C[C@@H](C(=O)N3CCC(NC(=O)c4ccccc4)CC3)CC2=O)c1 12996751 ULRZDEKMAWSLOU-FQEVSTJZSA-N 419.525 3.023 0 40 HGAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cc(F)ccc3F)CC2)cc1 13138318 LYENHGXHNISJOT-UHFFFAOYSA-N 424.469 3.403 0 40 HGAB COC(=O)c1cc(Br)ccc1S(=O)(=O)Nc1ccc(C(C)=O)cc1 13140963 KSRZFKQKYHYRKL-UHFFFAOYSA-N 412.261 3.239 0 40 HGAB Cc1c(C(=O)NC[C@H](c2ccc(F)cc2)N2CCOCC2)cnn1-c1ccccc1 14196774 NLTFIPOIFBFQNR-JOCHJYFZSA-N 408.477 3.123 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)COc1ccccc1 15623978 SISXYZHUFGXOSU-UHFFFAOYSA-N 418.515 3.277 0 40 HGAB COc1ccc(S(=O)(=O)N[C@H](CCSC)C(=O)Nc2ccc(C)cc2)cc1 16597950 OHUDFTBIMJLQNX-GOSISDBHSA-N 408.545 3.042 0 40 HGAB CCOc1ccc(NS(=O)(=O)c2ccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)cc1 17327274 YRZTXIOXGFSRJX-HZPDHXFCSA-N 418.515 3.136 0 40 HGAB Cc1cc(-c2cnc(N(C)C)nc2[C@@H]2CCCCN2C(=O)Cc2cccnc2)on1 19121897 KQABIDTVVKAGAQ-SFHVURJKSA-N 406.490 3.197 0 40 HGAB Cc1ccc2c(CC(=O)N3CCO[C@H](c4nc(-c5ccncc5)no4)C3)coc2c1 19221650 IYHSYXOECVNJLZ-IBGZPJMESA-N 404.426 3.329 0 40 HGAB CCc1noc(C)c1C(=O)N1CCC[C@@H](c2cc(N(C)C)nc(-c3ccncc3)n2)C1 19521206 IKSXQWZHVNIXOY-QGZVFWFLSA-N 420.517 3.483 0 40 HGAB CN(C)C(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)CCCN(C(=O)[C@H]2CCCO2)C1 19578953 MZEIWRNFQHEWTO-RDGATRHJSA-N 421.541 3.167 0 40 HGAB CCn1cc(-c2cc(C(=O)N3CCN(c4nc5ccccc5s4)CC3)no2)cn1 19665087 BJJPESRCMMTYHR-UHFFFAOYSA-N 408.487 3.130 0 40 HGAB Cc1c(C(=O)NCCc2nc(-c3ccccc3)ncc2C(N)=O)oc2c(F)cccc12 19697245 OJNUBJMNDNMEJX-UHFFFAOYSA-N 418.428 3.409 0 40 HGAB Cc1nc([C@H]2CCCN2C(=O)c2cc[nH]n2)nc2c1CCC(=O)N2CC1CCCCC1 19743181 LSHQBGMCBPDIEG-LJQANCHMSA-N 422.533 3.345 0 40 HGAB COc1ccc2[nH]c3c(c2c1)CCN1C(=O)c2cnc(N4CCCCC4)nc2C[C@H]31 19960761 IDLDYDJXXUHQBI-HXUWFJFHSA-N 403.486 3.253 0 40 HGAB COC(=O)[C@@](NC(=O)c1ccco1)(Nc1ncc(Cl)cc1Cl)C(F)(F)F 20065123 FSHNMTCAOGPLIO-ZDUSSCGKSA-N 412.151 3.255 0 40 HGAB O=C(C1CCCCC1)N1CCN(Cc2nc3sc4c(c3c(=O)[nH]2)CCCC4)CC1 20121423 QNMIQHFTOFELCP-UHFFFAOYSA-N 414.575 3.088 0 40 HGAB CC1(C)C[C@@H](NC(=O)CN(c2ccc(F)c(F)c2)S(C)(=O)=O)c2ccccc2O1 22373110 GAWLPVGFVVIYHP-QGZVFWFLSA-N 424.469 3.149 0 40 HGAB COc1cc(C(=O)N[C@@H](CN2CCOCC2)c2ccc(C)cc2)cc(Cl)c1OC 24210134 NCUHHKFZQJSRQB-IBGZPJMESA-N 418.921 3.469 0 40 HGAB O=C(COc1cccc(C(F)(F)F)c1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 25426858 FLWCDOKUXMJAHP-UHFFFAOYSA-N 422.403 3.157 0 40 HGAB CCOC(=O)C1=C(CNCc2ccccc2Cl)NC(=O)N[C@@H]1c1cccs1 26441452 LMKNTLOPMMVCQD-QGZVFWFLSA-N 405.907 3.362 0 40 HGAB CN1C(=O)c2ccc(C(=O)NC[C@H](c3ccccc3Cl)N3CCCC3)cc2C1=O 27345277 KAUNWOAXGYJLBO-LJQANCHMSA-N 411.889 3.133 0 40 HGAB COC(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(Cl)c2N2CCOCC2)c1 28243240 CBCMQABJIUHUOW-UHFFFAOYSA-N 424.906 3.072 0 40 HGAB CCC(CC)[C@H](CNC(=O)CCCNC(=O)c1ccc(Cl)cc1)N1CCOCC1 30941379 IFVBNKNTAJHNQH-FQEVSTJZSA-N 423.985 3.103 0 40 HGAB O=C(CSc1ccccc1)NN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O 32745078 WHTHKBGXEIGTMX-UHFFFAOYSA-N 417.490 3.306 0 40 HGAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)CCS(=O)(=O)c1ccc(C)cc1 32768316 LCYVLZYLYPDYNS-MRXNPFEDSA-N 402.516 3.326 0 40 HGAB CC(=O)N1CCN(c2ccc(OS(=O)(=O)c3ccc4c(c3)CCCC4)cc2)CC1 32794568 KMVKLNSABHHOJV-UHFFFAOYSA-N 414.527 3.002 0 40 HGAB Cc1cccc(C)c1NC(=O)CNC(=O)COc1cccc(NC(=O)c2ccco2)c1 32817823 KLKQYGMMOAPTJD-UHFFFAOYSA-N 421.453 3.282 0 40 HGAB C[C@H](NC(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1)c1cc2ccccc2o1 36397600 AEIRUDHKKSEDLQ-HNNXBMFYSA-N 413.499 3.106 0 40 HGAB COc1cc(C(=O)N[C@@H](C)C(=O)N[C@H](C)c2cc(C)sc2C)cc(OC)c1OC 40074223 CDGRZRZXKZVESJ-OLZOCXBDSA-N 420.531 3.386 0 40 HGAB CNC(=O)[C@@H]1CN(C(=O)c2ccc(COc3ccccc3F)o2)c2ccccc2O1 40131732 FDSLAIHUHDZLCR-FQEVSTJZSA-N 410.401 3.152 0 40 HGAB COc1ccc(CCN2C(=O)CC(c3ccc(OC)c(OC)c3)CC2=O)cc1OC 40486333 SIWXYYAJILHDPP-UHFFFAOYSA-N 413.470 3.196 0 40 HGAB CC(C)Cn1cnc2nc(COc3ccccc3NC(=O)c3cccs3)cc(=O)n21 41076904 XHEAPRPIRDKFFQ-UHFFFAOYSA-N 423.498 3.440 0 40 HGAB Cc1ccc(C)c([C@@H](C)NC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(C)ccc3O2)c1 44905921 MNIZVPDRPREBLV-UZLBHIALSA-N 402.516 3.016 0 40 HGAB CC(C)Oc1cccc(CNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c1 46663691 KQPULTORHBKIRF-UHFFFAOYSA-N 402.516 3.188 0 40 HGAB O=S(=O)(NCCN1CCN(c2ccc(Cl)cc2)CC1)c1ccc(Cl)s1 56997648 JGWYDCMYYKNSCF-UHFFFAOYSA-N 420.387 3.155 0 40 HGAB O=c1c2ncccc2n(Cc2ccc(Br)cc2)c(=O)n1Cc1ccco1 57293043 WRDIZIWATUQTAS-UHFFFAOYSA-N 412.243 3.010 0 40 HGAB CCCn1c(=O)c2ccccc2n(CC(=O)Nc2ccccc2C(F)(F)F)c1=O 57477440 UVQUCNWAMNENIQ-UHFFFAOYSA-N 405.376 3.231 0 40 HGAB C[C@H]1CCN(C(=O)CN2CCC(CCN3CCOCC3)CC2)c2ccccc2S1 58161531 WIOAGRONJKKSSH-IBGZPJMESA-N 417.619 3.338 0 40 HGAB COC(=O)C1=CO[C@H](C)[C@H]2CN3CCc4c([nH]c5cc(OC)c(OC)cc45)[C@@H]3C[C@H]12 59796450 FGWJRZQNNZVCHR-FERZIJSQSA-N 412.486 3.196 0 40 HGAB CN(Cc1ccc(F)c(F)c1)C(=O)Nc1cccc(Cn2nc3ccccn3c2=O)c1 61735497 ZJMYNGQEQHJJRE-UHFFFAOYSA-N 423.423 3.486 0 40 HGAB O=C(NCC1CC1)[C@H]1CSCN1C(=O)c1cc(Br)ccc1Cl 65591035 LWMAHFHRKKHKJZ-CYBMUJFWSA-N 403.729 3.144 0 40 HGAB COc1ccc(Cn2ccn3nc(-c4ccc(OC)c(OC)c4)cc3c2=O)cc1F 67260826 HMFCFDFSOCDQMM-UHFFFAOYSA-N 409.417 3.376 0 40 HGAB Cc1cc(O)c(C(=O)O)cc1S(=O)(=O)Nc1ccc(N2CCC(C)CC2)cc1 69516102 XVIWOMOGWGNZNB-UHFFFAOYSA-N 404.488 3.436 0 40 HGAB CN(C1CCCCC1)S(=O)(=O)N1CCC2(CC1)C[C@@H]2c1nnc2n1CCCCC2 71890654 KBTGLEOTGVCDHK-GOSISDBHSA-N 421.611 3.083 0 40 HGAB CC(C)Cn1cc(C(=O)NCCCc2nnc3ccccn23)c2ccccc2c1=O 72406201 GSFNDCVHHVKYMY-UHFFFAOYSA-N 403.486 3.063 0 40 HGAB O=C(c1cccc(=O)n1CCOc1ccccc1Cl)N1CCO[C@@H]2CCCC[C@@H]21 89814510 ZHAURTIEAFQFMT-FXAWDEMLSA-N 416.905 3.364 0 40 HGAB C[S@](=O)Cc1cccc(C(=O)N[C@@H](CC(=O)O)c2ccc(Br)cc2)c1 95463867 MITTVKOSUVYJSK-IVCQMTBJSA-N 424.316 3.273 0 40 HGAB O=C(NCC(=O)N1CCCCC[C@H]1c1noc(-c2ccccc2)n1)c1cccnc1 96001313 OERSGVRCUAQREA-SFHVURJKSA-N 405.458 3.005 0 40 HGAB C[C@H]1CCCCN1C(=O)c1ncn2c(C3CCN(C(=O)c4ccoc4)CC3)ccnc12 96267229 IVLHPHFVXRHISW-INIZCTEOSA-N 421.501 3.357 0 40 HGAB COc1ccc(OCCN2[C@H]3CC[C@H]2CC(O)(Cn2ccc4ccncc42)C3)cc1 100146394 QXJKQZFXTNOUNR-PMACEKPBSA-N 407.514 3.482 0 40 HGAB O=C(NCCCn1ccnc1)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccco1)N2 100619421 KEOOPWCVXLHHMW-IUODEOHRSA-N 408.384 3.153 0 40 HGAB CC1CCN(C(=O)CN2C(=O)S/C(=C/c3cc4ccccc4oc3=O)C2=O)CC1 108029690 WKKLASAIFPNTRZ-GZTJUZNOSA-N 412.467 3.088 0 40 HGAB COc1ccc(CNC(=O)[C@H](C(=O)c2ccc(Cl)cc2)n2ccccc2=O)cc1 199411672 UUYGCKBDEQLZMY-FQEVSTJZSA-N 410.857 3.251 0 40 HGAB COc1ccc(OC)c(N([C@@H](C)C(=O)Nc2ccccc2Cl)S(C)(=O)=O)c1 220206688 WOYYJRNKJFDAQO-LBPRGKRZSA-N 412.895 3.150 0 40 HGAB CCN(CCNC(=O)c1ccc(N2CCCCS2(=O)=O)cc1)c1ccc(C)cc1 224386451 TTZLLCSGYVQEGN-UHFFFAOYSA-N 415.559 3.181 0 40 HGAB CC[C@@H](NC(=S)Nc1ccc2c(c1)OCCO2)c1ccc(S(C)(=O)=O)cc1 225724020 FZYZMSLTYCHOSZ-MRXNPFEDSA-N 406.529 3.299 0 40 HGAB CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCSc1ccccc1 225763918 WGPNUUGIQRQPKY-IBGZPJMESA-N 422.572 3.148 0 40 HGAB CC(C)(C)CNC(=O)COc1ccc(S(=O)(=O)NC2CCCC2)cc1Cl 226082362 CXWQHOXIKJFHCH-UHFFFAOYSA-N 402.944 3.102 0 40 HGAB CC1(C)O[C@H](N2N=C(Br)[C@@H]3C(=O)NC=N[C@H]32)C(C)(C)C(C)(C)C1(C)C 245239223 GOYRCAGRXJTZSS-JKOKRWQUSA-N 413.360 3.324 0 40 HGAB O=C1CCCN1CC(=O)N1CCC[C@@H](c2ncc(Cc3cccc(Cl)c3)o2)C1 257227257 FOISPDRDKUVSNC-MRXNPFEDSA-N 401.894 3.247 0 40 HGAB Cc1ccc(C)c([C@H](C)NC(=O)[C@H](C)Oc2ccc(N(C)S(C)(=O)=O)cc2)c1 260767275 MMQDURZULUKXPQ-IRXDYDNUSA-N 404.532 3.344 0 40 HGAB COc1ccc(-c2ccc3c([C@@H]4CN(Cc5ccncc5)CCO4)nnn3c2)cc1 306124280 BLMSVKBLXAFTIB-QFIPXVFZSA-N 401.470 3.373 0 40 HGAB CCN(CC)CCCNC(=O)c1nc(-c2ccnn2-c2ccccc2)n2ccncc12 306136158 PLBILYSFFVFDPY-UHFFFAOYSA-N 417.517 3.044 0 40 HGAB Cc1cc(S(=O)(=O)N2CCCc3ccccc32)ccc1OCC(=O)NC(C)(C)C 408617410 CVRKDJADIBPFNP-UHFFFAOYSA-N 416.543 3.430 0 40 HGAB COc1ccc(/C=C2\SC(=O)N(CC(=O)N(C(C)C)C(C)C)C2=O)cc1OC 409211256 LIRBPFSCYDZRIX-YVLHZVERSA-N 406.504 3.386 0 40 HGAB Cc1ccccc1C(=O)N[C@@H](C)c1nnc(SCC(=O)Nc2ccccc2)n1C 409348564 OTKDGOPZSRWJNE-HNNXBMFYSA-N 409.515 3.345 0 40 HGAB COc1ccc(Cn2nc(C)c(/C=C/c3nc(C)c(CC(=O)O)c(O)n3)c2C)cc1 504732370 REOIEECXBFGQPQ-MDZDMXLPSA-N 408.458 3.158 0 40 HGAB Cc1ccc(CC(=O)N2CCO[C@]3(C2)C(=O)N(C(C)C)C[C@H]3c2ccccc2)cc1 585106751 HMYJIYOVPTUEGT-DHLKQENFSA-N 406.526 3.170 0 40 HGAB CN(CC(=O)NC(c1ccccc1)c1ccccc1)C(=O)N[C@@H]1CCN(CC2CC2)C1 644895095 JQHRHBZBCQWLBI-JOCHJYFZSA-N 420.557 3.018 0 40 HGAB Cc1nc(CN2C(=O)CCC23CCC(NC(=O)c2csc(C)n2)CC3)cs1 2055819313 UVGHBDPLFBMNCY-UHFFFAOYSA-N 404.561 3.450 0 40 HGAB COc1ccc(OC)c([C@H]2SCCN2S(=O)(=O)c2ccc(NC(C)=O)cc2)c1 800851 AQUXHUQYEVTGIO-LJQANCHMSA-N 422.528 3.099 0 40 HGAB CCc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)cc1 1289563 PVYWRNOPWWBWGX-HNNXBMFYSA-N 400.862 3.437 0 40 HGAB COc1ccc(/C=C/C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)cc1OC 1777530 VGOBQKNHRXYDIW-WEVVVXLNSA-N 418.496 3.369 0 40 HGAB CC(=O)Oc1ccc2c(-c3cc4ccccc4oc3=O)cc(=O)oc2c1OC(C)=O 2109024 IYHJFXSIVSANDJ-UHFFFAOYSA-N 406.346 3.417 0 40 HGAB biogenic CC(C)CNS(=O)(=O)c1cc(C(=O)N2C[C@H](C)O[C@@H](C)C2)c(Cl)cc1Cl 2665054 MMMQAEUZHNVUFW-RYUDHWBXSA-N 423.362 3.177 0 40 HGAB C[C@@H]1CCC[C@@H](C)N1C(=O)COC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 3480954 BWBVZNCYUYVMMY-HZPDHXFCSA-N 420.465 3.434 0 40 HGAB O=C(COC(=O)c1ccc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)cc1)c1ccccc1 4133980 NYSTXURAOWURQL-OALUTQOASA-N 407.422 3.332 0 40 HGAB CC(C)c1ccc(NC(=O)O[C@@H]2CO[C@@H]3[C@@H](NC(=O)c4ccccc4)CO[C@H]23)cc1 4235654 FUNTVAREOSARAU-DOIPELPJSA-N 410.470 3.323 0 40 HGAB biogenic,in-vitro CCN(CC)S(=O)(=O)c1ccc(N(C)C)c(NC(=O)CCc2ccccc2)c1 4901573 SCFARVRVIOKIGW-UHFFFAOYSA-N 403.548 3.354 0 40 HGAB Cc1ccccc1NC(=O)Cn1c(=O)n(Cc2ccc(F)cc2)c(=O)c2ccccc21 5000016 WWRJGRFAENIKDY-UHFFFAOYSA-N 417.440 3.298 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CSc1ccccn1 5622249 AALCJBHDLKKGTH-UHFFFAOYSA-N 405.545 3.295 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1NCC(=O)Nc1ccc(C)cc1 5656714 QCEYTNJKBZWSGZ-UHFFFAOYSA-N 417.531 3.229 0 40 HGAB O=C(Nc1nc2c(s1)CN(Cc1ccccc1)CC2)[C@@H]1COc2ccccc2O1 6609542 MEUJDRWRFVGNGQ-IBGZPJMESA-N 407.495 3.480 0 40 HGAB O=C(COc1ccccc1Cl)N(Cc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 6810975 SEXSXKZIXNYWED-INIZCTEOSA-N 411.882 3.074 0 40 HGAB COc1ccc(NC(=O)CCCOc2ccc(C(C)(C)C)cc2)cc1S(N)(=O)=O 6999569 ASJQZWPYZGUDQD-UHFFFAOYSA-N 420.531 3.438 0 40 HGAB Cc1ccc(C)c(OCCC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)c1 7007562 YSJBPHSOKNKJMS-UHFFFAOYSA-N 402.516 3.496 0 40 HGAB Cc1cccc(-n2c(SCC(N)=O)nc3sc4c(c3c2=O)CCCS4)c1 7441498 IKPFLEUQJRPOSY-UHFFFAOYSA-N 403.554 3.371 0 40 HGAB Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)CCc1c(C)nc2ncnn2c1C 8009784 LQTNIOBTAMNDMJ-UHFFFAOYSA-N 417.517 3.135 0 40 HGAB CC1CCC2(CC1)NC(=O)N(NC(=O)COc1ccccc1-c1ccccc1)C2=O 8328019 LGNOPKULGHJYSC-UHFFFAOYSA-N 407.470 3.264 0 40 HGAB O=C([C@@H]1CN(C(=O)c2cnc3ccccc3n2)c2ccccc2O1)N1CCCCC1 8708015 NMDSVRXTQFCAOU-NRFANRHFSA-N 402.454 3.050 0 40 HGAB Cc1cccc(S(=O)(=O)NCCc2nnc3c(C(F)(F)F)cc(Cl)cn23)c1 9410164 WHVGVOFFWBVRFZ-UHFFFAOYSA-N 418.828 3.231 0 40 HGAB O=C(c1cc(Cl)c2c(c1)OCCO2)N1CCC(C(=O)N2CCCCCC2)CC1 10022782 NADXXMZWHGPQOU-UHFFFAOYSA-N 406.910 3.366 0 40 HGAB CN(CC(=O)Nc1ccc(N2CCCC2)cc1)S(=O)(=O)c1ccc(Cl)cc1 10429437 XINOBWAZMGZXRR-UHFFFAOYSA-N 407.923 3.199 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCc3ccc(Cl)cc3)CC2)cc1 10749342 ZBYPTWDURDUVOZ-UHFFFAOYSA-N 406.935 3.114 0 40 HGAB O=C(CCn1ccc2ccccc21)N1CCC(NS(=O)(=O)c2cccs2)CC1 11452113 MZFDPJIKBCKFDI-UHFFFAOYSA-N 417.556 3.062 0 40 HGAB COc1ccc(C2=NN(CC(=O)N3CCCC3)C(=O)c3cc4sccc4n3C2)cc1 12113590 YYDPQNXOVAYHBL-UHFFFAOYSA-N 422.510 3.194 0 40 HGAB CCN(CC)C(=O)CN1CCC[C@@H](c2c(-c3cc(C)no3)cnc3cc(C)nn23)C1 12123411 PCVAOTGHZIFJKH-QGZVFWFLSA-N 410.522 3.049 0 40 HGAB COC(=O)c1ccc(C(=O)N2CCC[C@H]2[C@H](O)c2nc3ccccc3s2)s1 12183102 YXXAIJOARMASKE-LRDDRELGSA-N 402.497 3.483 0 40 HGAB CC[C@H](CO)NC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2 12582678 XEIVBQVJLBBEHF-SINXNMPMSA-N 419.481 3.211 0 40 HGAB CC(C)c1ccc([C@@H](NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)C(C)C)cc1 12946728 VPDZNGQBNLMBKU-NRFANRHFSA-N 414.527 3.468 0 40 HGAB CCCc1nnc(SCC(=O)N[C@@H](C)c2ccc(CC(C)C)cc2)n1CC(=O)O 12983412 MURMVCXJQRASHZ-HNNXBMFYSA-N 418.563 3.483 0 40 HGAB COc1ccc(-c2nnc3n2N=C(c2ccc(OC)c(OC)c2)CS3)c(OC)c1 13828696 LNWPRIMXQHIADJ-UHFFFAOYSA-N 412.471 3.338 0 40 HGAB CC(C)[C@H](NC(=O)c1ccc(CN2C(=O)CCC2=O)cc1)c1ccc2c(c1)OCCO2 15027519 BMQSQWMRPMYEQW-QHCPKHFHSA-N 422.481 3.234 0 40 HGAB O=C(Nc1ccc(Br)cc1F)c1ccc2c(=O)n3c(nc2c1)CCC3 15657959 BHMQLJSMSYQGEE-UHFFFAOYSA-N 402.223 3.497 0 40 HGAB O=S(=O)(NCCc1csc2nc(-c3cccs3)nn12)c1ccccc1F 16837578 MTCFTVMBPFUKPM-UHFFFAOYSA-N 408.505 3.179 0 40 HGAB COC(=O)CCn1c(SCC(=O)c2ccc3c(c2)CCC3)nc2ccccc2c1=O 17181407 GMYRPXWQRAJMEU-UHFFFAOYSA-N 422.506 3.423 0 40 HGAB CN(C)C1(CNC(=O)c2nn(-c3ccccc3)c(=O)c3ccccc23)CCCCC1 17910703 PAQIPHPKWYSQHH-UHFFFAOYSA-N 404.514 3.380 0 40 HGAB Cc1ccc2c(c1)C(=O)N(CC(=O)N1[C@@H](C)CCC[C@H]1C)CC1(CCN(C)CC1)O2 19218469 SHTBAZSEAGKXML-KDURUIRLSA-N 413.562 3.084 0 40 HGAB COc1ccc(Cc2nnc(NC(=O)c3cn4cc(C)ccc4n3)s2)cc1OC 19234363 DNNSUNNDWGLLBQ-UHFFFAOYSA-N 409.471 3.355 0 40 HGAB O=C(CN1C(=O)NC2(CCCCC2)C1=O)Nc1ccccc1CN1CCCCCC1 19349115 CXTNYNJFTZBXHK-UHFFFAOYSA-N 412.534 3.256 0 40 HGAB O=C(CN1Cc2ccccc2C1)N1CCC[C@@H](n2c(=O)oc3ccc(Cl)cc32)C1 19375534 XJXKMVYDWCKZGB-GOSISDBHSA-N 411.889 3.427 0 40 HGAB CCC[C@]1(C(=O)OCC)N[C@H](c2cccs2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 19502083 VBMTZEQWPXOMBR-FBAVSBLXSA-N 412.511 3.300 0 40 HGAB COc1ccccc1N1C[C@H](NC(=O)CCc2nc3cc(Cl)ccc3[nH]2)CC1=O 19570996 IOUKAWIUQLSWGI-CQSZACIVSA-N 412.877 3.079 0 40 HGAB CNC(=O)[C@@]1(Cc2cccc(-c3ccncc3)c2)CN(C(=O)CC2CCCC2)CCO1 19591808 UYSKEJGBKXRDKS-RUZDIDTESA-N 421.541 3.215 0 40 HGAB COc1ccc(-c2cnc(N(C)C)nc2C2CCN(C(=O)C[C@H]3CCCO3)CC2)cc1 19695230 NLNIPGRBWAKVNO-HXUWFJFHSA-N 424.545 3.493 0 40 HGAB CC(=O)N1CC[C@@](Cc2cc(-c3ccccc3)no2)(C(=O)NCc2cccc(C)n2)C1 19703535 UKXLFJSAKXOFAC-DEOSSOPVSA-N 418.497 3.143 0 40 HGAB COc1ccc(CC(=O)Nc2cccc([C@H]3C[C@@H](NC(C)=O)CCO3)c2)cc1OC 19712159 CXLVNRBAVRPFBH-PZJWPPBQSA-N 412.486 3.241 0 40 HGAB COC(C)(C)C(=O)N1CCC[C@@H]1c1nc(C)c2c(n1)N(CCc1ccccc1)C(=O)C2 19744221 PLDNZBSJEXLTHV-LJQANCHMSA-N 422.529 3.005 0 40 HGAB CSc1ccc([C@H](C)NC(=O)/C=C/c2ccc(CN(C)S(C)(=O)=O)o2)cc1 20030390 GYYJSSBLGGYMAB-TZIYXEQSSA-N 408.545 3.284 0 40 HGAB COc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(F)cc2)cc1C(=O)N1CCCC1 20459054 CKUACWRJMAXGSX-AWEZNQCLSA-N 406.479 3.110 0 40 HGAB COCCC(=O)N[C@H]1CC[C@]2(C)CC[C@H]([C@H](C)C(=O)NC3CCCC3)[C@H](O)[C@H]2[C@@H]1C 20467076 GEQWUBLKSRVCLJ-JZCCEULGSA-N 422.610 3.026 0 40 HGAB biogenic,in-vitro COC(=O)c1ccccc1NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc2c(c1)OCO2 20762117 USHUQKBPTDIIBN-FQEVSTJZSA-N 420.425 3.105 0 40 HGAB biogenic Cc1ccc(C(=O)N2CCCc3cc(S(=O)(=O)NCc4cccnc4)ccc32)cc1 20765967 FABRVSRQGHSKJD-UHFFFAOYSA-N 421.522 3.462 0 40 HGAB C[C@@H](OC(=O)c1ccc2c(c1)OCC(=O)N2)C(=O)Nc1nc(-c2ccccc2)cs1 22258349 NIRXPQQMPVHUMH-GFCCVEGCSA-N 423.450 3.325 0 40 HGAB CCOc1ccc(-n2ncc(C(=O)OCc3coc(-c4cccs4)n3)c2C)nn1 23572033 SREXXNPRCDROOH-UHFFFAOYSA-N 411.443 3.443 0 40 HGAB CCOc1cccc(C(=O)NC[C@@H](c2ccc(Cl)cc2)N2CCN(C)CC2)c1 28287987 HEMPPTOBYXGURI-NRFANRHFSA-N 401.938 3.457 0 40 HGAB Cc1nc(-c2cccc(NC(=O)[C@H](C)NS(=O)(=O)c3c(C)noc3C)c2)cs1 30020203 FWZNDGMPXGKQBG-NSHDSACASA-N 420.516 3.029 0 40 HGAB Cc1cccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)c1 31107885 LIWNPKZEZWQION-QGZVFWFLSA-N 406.935 3.366 0 40 HGAB O=C(CCc1ccccc1)NC1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 32439392 YQLXMQLYEAHRCF-UHFFFAOYSA-N 424.925 3.381 0 40 HGAB Cc1cc(NC(=O)c2ccc(-c3ccccc3)nc2C)n([C@H]2CCS(=O)(=O)C2)n1 32752842 WRBYEHGKXUPVEZ-KRWDZBQOSA-N 410.499 3.174 0 40 HGAB O=C(CCS(=O)(=O)Cc1cc(Cl)c2c(c1)OCCO2)Nc1cccc(F)c1 32796811 CGXVXIYMJKEXEN-UHFFFAOYSA-N 413.854 3.194 0 40 HGAB CC(C)OC(=O)C[C@H](NC(=O)C1CCN(C(=O)c2ccco2)CC1)c1ccccc1 32820983 WTDOLYSGHHOQII-IBGZPJMESA-N 412.486 3.331 0 40 HGAB Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)N(C)c3nc4ccccc4s3)C2=O)cc1 32899287 UUIWPMDGDDEHAR-OAQYLSRUSA-N 408.483 3.035 0 40 HGAB C[C@H](NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1)c1ccccc1 34949551 JZVMZHOYRJCOEU-PGRDOPGGSA-N 408.523 3.454 0 40 HGAB C[C@@H](CCc1ccccc1)NC(=O)[C@@H]1[C@H]2C=C[C@]3(CN(c4ccccc4)C(=O)[C@H]13)O2 35485164 DOQJCMSPVWOHSQ-USAZPXKYSA-N 402.494 3.111 0 40 HGAB CCOC(=O)c1c(NC(=O)CN2CCc3ccccc3C2)c2cc(OC)ccc2n1C 35844253 PPOISGOLJDRVOH-UHFFFAOYSA-N 421.497 3.360 0 40 HGAB C[C@@H](NCC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1)c1ccc2c(c1)CCCC2 39738442 GCSGCLAYXMKOJF-VGSWGCGISA-N 418.603 3.174 0 40 HGAB Cc1ccc(N2C[C@@H](C(=O)Nc3cccc(-c4nnc5n4CCC5)c3)CC2=O)c(F)c1 40074003 JBDMHCOLCJMIKL-INIZCTEOSA-N 419.460 3.330 0 40 HGAB C[C@H](NC(=O)c1cc(-c2ccccc2Cl)on1)c1ccc(S(N)(=O)=O)cc1 40086967 BZGHRLQKPFOEBN-NSHDSACASA-N 405.863 3.133 0 40 HGAB NS(=O)(=O)c1ccc(CCNC(=O)c2ccccc2Oc2ccccc2)s1 40105403 TWDCOXYAXIIWTO-UHFFFAOYSA-N 402.497 3.160 0 40 HGAB COC(=O)c1ccc(C(=O)Nc2n[nH]c3c2c(C)nn3Cc2ccc(F)cc2)cc1 40116250 RDYCMDULJQRAAP-UHFFFAOYSA-N 407.405 3.294 0 40 HGAB Cc1ccc(SCCNC(=O)CN(c2ccc(C)cc2C)S(C)(=O)=O)cc1 44791185 DJGOMOFHGOOZTN-UHFFFAOYSA-N 406.573 3.286 0 40 HGAB CC[C@@H](NC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C)c1ccc(C)cc1 44843258 VYQBGIIVVWCGHE-HXUWFJFHSA-N 417.575 3.492 0 40 HGAB Cc1ccc([C@@H](C)NC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cc1C 44856423 MHHZBUSZOBTWCJ-AUUYWEPGSA-N 422.934 3.361 0 40 HGAB CC(C)(C)OC(=O)N1CCC(NS(=O)(=O)c2ccc(Br)cc2)CC1 49983434 KDZBYSNWVMYVMX-UHFFFAOYSA-N 419.341 3.127 0 40 HGAB COc1ccc([C@H](O)CNC(=O)Nc2cc3c(cc2Br)OCCO3)cc1 57996525 UJKWDMYLJOHXHM-OAHLLOKOSA-N 423.263 3.084 0 40 HGAB Cn1ccs/c1=N\C(=O)Cc1ccc(NC(=O)c2ccc(Br)o2)cc1 58382267 WQJADZSKIRWFSB-JZJYNLBNSA-N 420.288 3.364 0 40 HGAB Cc1nc2cc3c(cc2n1CC(=O)N[C@@H](C)c1ccc2c(c1)OCCCO2)OCCO3 64794914 CNTNPXRTZHTZAG-AWEZNQCLSA-N 423.469 3.155 0 40 HGAB O=C(CSc1nnc(-c2ccc3c(c2)OCCCO3)n1C1CC1)N1CCCC1 64987140 WYPRLZFCPXJFHT-UHFFFAOYSA-N 400.504 3.156 0 40 HGAB COc1ccc(CN2CCC(CNC(=O)[C@H](C)n3nc4ccccc4n3)CC2)cc1 72347501 VFGWNKGVGHRDNC-KRWDZBQOSA-N 407.518 3.029 0 40 HGAB Cc1nc(N2CCCC2)ccc1NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl 84028795 KMOXWXNVIDGNPP-UHFFFAOYSA-N 422.938 3.146 0 40 HGAB O=C(NCc1ccco1)[C@H]1CCCN1C(=O)c1c[nH]c2cccc(Br)c12 89800149 PWEFVBSHXWKYJB-MRXNPFEDSA-N 416.275 3.444 0 40 HGAB COCCn1ccc2ccc(NC(=O)CCN3C(=O)[C@@H](C)Oc4ccccc43)cc21 95457853 KOKAKSOMIANOOZ-MRXNPFEDSA-N 407.470 3.430 0 40 HGAB COc1ccc([C@H](N)c2nc(-c3cc(Br)ccc3O)n[nH]2)cc1OC 95533850 BUWSWNIQVOQOQF-HNNXBMFYSA-N 405.252 3.005 0 40 HGAB O=C(c1nc2c(s1)CCCN2Cc1ccccc1)N1CCN(c2ccncc2)CC1 96264619 DCUTZWBMTYCQCY-UHFFFAOYSA-N 419.554 3.453 0 40 HGAB C[C@H](C[C@H]1COCCN1C(=O)OC(C)(C)C)NCc1ccccc1-n1ccnc1 97162374 LPPXRIXULZMQGG-MJGOQNOKSA-N 400.523 3.376 0 40 HGAB Cc1ccc(N2C(=O)[C@H]3NN=C(C(=O)C(c4ccccc4)c4ccccc4)[C@H]3C2=O)cc1 100668390 UPGCEOUJBIHTMY-GGAORHGYSA-N 423.472 3.213 0 40 HGAB Cc1ncn(C23C[C@@H]4C[C@H](CC(C(=O)N5CCCN(c6ccccn6)CC5)(C4)C2)C3)n1 100773309 JSPGROHRUYXWAX-LMHXZZLNSA-N 420.561 3.016 0 40 HGAB O=C(CCN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@@H]2C1=O)Nc1ccc(Cl)c(Cl)c1 102529755 YYTXKGKVYZOGLL-RKVXBYLHSA-N 405.281 3.375 0 40 HGAB COc1cccc(NC(=O)c2cnn3c2NC(C(=O)O)=C[C@@H]3c2ccccc2F)c1 102810684 DGNMHMARYIYICT-GOSISDBHSA-N 408.389 3.267 0 40 HGAB CSc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H]3C[C@H]4CC[C@H]3C4)CC2)cc1 102949258 CRDJUNBIVMWBBZ-QOKNQOGYSA-N 408.589 3.114 0 40 HGAB CCCc1nnc(NC(=O)c2ccc(N3C(=O)[C@@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2)s1 103171973 QBMURMMHTCJFHE-WRFANHODSA-N 408.483 3.054 0 40 HGAB CCC(=O)N(Cc1ccc(Cl)cc1)[C@@H](Cc1ccccc1)C(=O)NCCOC 223122807 NXRMMJOOWVOGCN-FQEVSTJZSA-N 402.922 3.453 0 40 HGAB Cc1ccc(C)c(N(CC(=O)N[C@@H](C)c2ccc3c(c2)CCC3)S(C)(=O)=O)c1 223166405 PVPSDHVFARBORZ-KRWDZBQOSA-N 400.544 3.436 0 40 HGAB C[C@H](NC(=O)CN(c1ccc(F)cc1F)S(C)(=O)=O)c1ccc2c(c1)CCC2 223234194 LILGWPZXXNZGKC-ZDUSSCGKSA-N 408.470 3.097 0 40 HGAB COc1ccc(C(=O)Nc2cnc(N3CCN(c4ccccc4)CC3)nc2)cc1OC 224257288 ZSFTVVSMFZZWBW-UHFFFAOYSA-N 419.485 3.073 0 40 HGAB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NCC(C)(C)C)c1ccccc1 226072189 LWRBSHIWTNQEEP-UHFFFAOYSA-N 404.532 3.361 0 40 HGAB Cc1cccn2cc(-c3cccc(NC(=O)c4cc(N5CCOCC5)ncn4)c3)nc12 252484793 GHWJFDSVVYVZPU-UHFFFAOYSA-N 414.469 3.189 0 40 HGAB COc1cc2c(cc1CN1CCO[C@H](c3cccc(-c4cnc(N)nc4)n3)C1)CCC2 257241745 HZLLFWIVZRIXKZ-QHCPKHFHSA-N 417.513 3.192 0 40 HGAB NC(=O)[C@]1(c2ccccn2)CCCN(C(=O)C2(Oc3ccccc3)CCCCC2)C1 257272844 NECQJTGVJVFBQH-HSZRJFAPSA-N 407.514 3.209 0 40 HGAB CC(C)C(=O)N[C@H]1CCN(C(=O)c2ccc(-c3ccc(Cl)cc3)o2)CC[C@@H]1O 257278506 OCNAHSAAGITXMT-IRXDYDNUSA-N 404.894 3.338 0 40 HGAB COc1cccc(Cc2cccc([C@@H]3CN(C(=O)CCN4CCC(C)=N4)CCO3)n2)c1 257337896 YUXZQKKJNMRODT-QHCPKHFHSA-N 422.529 3.053 0 40 HGAB CCc1ccc([C@@H](C)NC(=O)[C@H]2CCN(S(C)(=O)=O)c3ccccc3O2)cc1 260795916 MYKAKDSVOMKFIS-FOIQADDNSA-N 402.516 3.044 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cccc(C)c3)C2)cc1OC 408553921 RQQWWSLPQUMDPH-INIZCTEOSA-N 418.515 3.052 0 40 HGAB C[C@@H](C(=O)Nc1ccccc1Br)N(c1ccc(F)cc1)S(C)(=O)=O 408556160 IAKSJZKSKBXUIO-NSHDSACASA-N 415.284 3.381 0 40 HGAB CC1=CC[C@@H]2C(=O)N(c3ccc(C(=O)Nc4ccc(C(=O)O)cc4)cc3)C(=O)[C@@H]2C1 408681326 IXWQIAASHPOAAH-RBUKOAKNSA-N 404.422 3.483 0 40 HGAB C[C@H](NC(=O)c1ccccc1)c1nnc(SCC(=O)Nc2ccc(F)cc2)n1C 409131837 PAKLYXFOEWWUSM-ZDUSSCGKSA-N 413.478 3.176 0 40 HGAB CN(Cc1ccccc1N1CCCC1)C(=O)NCc1ccccc1CN1CC[C@@H](O)C1 542853841 KRWWNQDIAXPILQ-HSZRJFAPSA-N 422.573 3.195 0 40 HGAB CC1(c2ccccc2)CC(NC(=O)C2(S(=O)(=O)c3ccccc3)CCOCC2)C1 573282772 MEAOIZWLUROCBT-UHFFFAOYSA-N 413.539 3.246 0 40 HGAB COCCN1c2cccnc2-n2cccc2[C@@]12CCN(C(=O)c1ccc(C)c(O)c1)C2 585107453 WGRVWWDSGZPNAX-DEOSSOPVSA-N 418.497 3.094 0 40 HGAB O=C(CN1CCC(O)(COc2cccc(Cl)c2)CC1)NCc1ccc(F)cc1 585274611 XPKSAWKTGYUNGO-UHFFFAOYSA-N 406.885 3.001 0 40 HGAB O=C(c1csc(-c2ccccc2)n1)N1CCC(Cn2nc3c(cc2=O)CCC3)CC1 1775968911 YNLMARUPAJVVKQ-UHFFFAOYSA-N 420.538 3.408 0 40 HGAB CCc1cc(=O)oc2c(C)c(O[C@H](C)C(=O)N[C@@H](Cc3ccccc3)C(=O)O)ccc12 2092431 DYMMQMVMCMFSOO-BEFAXECRSA-N 423.465 3.243 0 40 HGAB biogenic COc1ccc(NC(=O)COC(=O)COc2cccc(Br)c2)cc1OC 2635191 PISPCLKNDJFKTL-UHFFFAOYSA-N 424.247 3.027 0 40 HGAB O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)[C@@H]1COc2ccccc2O1 2657496 UKGFGIRFJBSQHT-SFHVURJKSA-N 408.376 3.321 0 40 HGAB Cc1c(Br)c(C(F)F)nn1CC(=O)N[C@H](C)CN1CCC(C)CC1 2781561 WZOWYOIHTLSVEK-LLVKDONJSA-N 407.303 3.128 0 40 HGAB C[C@]1(c2ccccc2Cl)NC(=O)N(CC(=O)N[C@H]2CCCc3ccccc32)C1=O 3593458 MMXMWNLTRNSXJU-PGRDOPGGSA-N 411.889 3.301 0 40 HGAB C[C@@H]1CN(C(=O)CSc2ncnc3c2cnn3-c2cccc(Cl)c2)C[C@@H](C)O1 4341723 SZMLTMRGNYUFCB-CHWSQXEVSA-N 417.922 3.197 0 40 HGAB CCC[C@H](OC(=O)C[C@@H]1Sc2ccccc2NC1=O)C(=O)NCc1ccco1 4356168 AJKPYYLFIDRKBF-RDJZCZTQSA-N 402.472 3.111 0 40 HGAB COc1ccc(N(CC(=O)Nc2cccc(Cl)c2)S(C)(=O)=O)cc1Cl 4996074 IQLIAQARCZEOPD-UHFFFAOYSA-N 403.287 3.407 0 40 HGAB CC(C)OCCCNC(=O)c1ccc(N2C(=O)[C@@H]3Cc4ccccc4CN3C2=O)cc1 5246827 IBXDVSLKVIBUSV-NRFANRHFSA-N 421.497 3.125 0 40 HGAB O=C(COC(=O)c1cncc(Br)c1)Nc1ccccc1OC(F)F 5505854 NGYPDQHJVRKNTK-UHFFFAOYSA-N 401.163 3.241 0 40 HGAB COc1ccc(S(=O)(=O)Nc2cc(Cl)c3oc(=O)sc3c2)cc1OC 5553163 XGCIDBYZGHKFLQ-UHFFFAOYSA-N 401.849 3.326 0 40 HGAB C[C@H](NC(=O)Nc1cccc2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)O 5919354 JYEBKNONUNVENG-YWZLYKJASA-N 405.454 3.162 0 40 HGAB Cc1csc(NC(=O)c2ccc(S(=O)(=O)N3CCc4ccccc4C3)cc2)n1 6542098 NQZCYLBHMSWWOE-UHFFFAOYSA-N 413.524 3.451 0 40 HGAB CC(=O)Nc1ccc(SCC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 6857063 AOCZNIMYBUUACJ-UHFFFAOYSA-N 418.540 3.405 0 40 HGAB COc1ccc(OC)c(NS(=O)(=O)c2cc(Br)ccc2OC)c1 7056472 GIAHHHCIJZMGAJ-UHFFFAOYSA-N 402.266 3.276 0 40 HGAB CCOc1ccc(NC(=O)CN(C)CC(=O)N[C@@H]2CCCC[C@@H]2C)cc1OCC 7461033 GPSRANQBHUXYCB-FUHWJXTLSA-N 405.539 3.049 0 40 HGAB CCc1ccc(NC(=O)COC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)cc1 7758852 AZSPERUCKCFHNA-UHFFFAOYSA-N 409.891 3.248 0 40 HGAB C[C@H](C(=O)NCc1ccccc1Cl)N(c1cccc(Cl)c1)S(C)(=O)=O 7872134 IWTPZCCLPOWBDC-GFCCVEGCSA-N 401.315 3.464 0 40 HGAB Cc1ccccc1N(CC(=O)NCCCOC(C)C)S(=O)(=O)c1ccccc1 8571228 XPHZJTDCFDMXBW-UHFFFAOYSA-N 404.532 3.122 0 40 HGAB CCC(CC)C(=O)NCCn1ncc2c(N3CCCC3)nc(SC(C)C)nc21 8797485 SFXZTTKULAOVKK-UHFFFAOYSA-N 404.584 3.479 0 40 HGAB COc1cccc(N2C(SCc3cccc(F)c3)=N[C@H]3CS(=O)(=O)C[C@H]32)c1 9306489 QRAJPJPSEZEJDJ-ZWKOTPCHSA-N 406.504 3.109 0 40 HGAB CN1C(=O)C(=C(Nc2ccccc2)SCCOc2ccccc2)C(=O)N(C)C1=O 9973779 JFBWWHXYXRVGNN-UHFFFAOYSA-N 411.483 3.173 0 40 HGAB COc1ccc(F)cc1C(=O)COC(=O)c1ccc(OCc2noc(C)n2)cc1 10883428 DXSHIXSMCGKNJP-UHFFFAOYSA-N 400.362 3.144 0 40 HGAB Cc1cc(=O)oc2cc(OCC(=O)Nc3nc4cc5c(cc4s3)OCCO5)ccc12 11751803 GFPZXASORXOPDB-UHFFFAOYSA-N 424.434 3.500 0 40 HGAB CN(C)c1ncc(-c2ccccn2)c(-c2ccc(CNC(=O)[C@H]3CCCO3)cc2)n1 12222388 RASYDDMWFSBLFM-HXUWFJFHSA-N 403.486 3.067 0 40 HGAB C[C@H]1C[C@H](C)CN(C(=O)CN2CCN(C(=O)c3cc4c(s3)CCCCC4)CC2)C1 12595355 IAQMLIYFVKMBKO-ROUUACIJSA-N 417.619 3.279 0 40 HGAB COc1ccc([C@H]2CCCN2[C@@H](C(=O)N2CCOCC2)c2ccccc2)c(OC)c1 12692160 IDKWMHUXCDHLCE-FYYLOGMGSA-N 410.514 3.441 0 40 HGAB C[C@@H](OC(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1)C(=O)NC1CCCC1 12716436 IKONSJLMRMXHLI-CQSZACIVSA-N 402.878 3.154 0 40 HGAB CC(C)(C)CC(=O)N1CCN(CC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 12785483 SSIVHUDTGAKVFJ-UHFFFAOYSA-N 401.429 3.104 0 40 HGAB COc1ccc(CNC(=O)Cn2cnc3cc(-c4ccccc4)sc3c2=O)cc1 12931480 SMNKKEHYAZQWAL-UHFFFAOYSA-N 405.479 3.450 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc([C@H](C)NCC(=O)Nc2ccccc2OC)cc1 13038630 RBCOZARGHBJYNL-INIZCTEOSA-N 419.547 3.015 0 40 HGAB C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3nc4ccccc4[nH]3)cc2)C1 13098157 CHOCVVHZIWSERO-GASCZTMLSA-N 412.515 3.482 0 40 HGAB CC(C)n1ncc2c(C(=O)NCCCN3CCCC3=O)cc(-c3ccccc3)nc21 14065013 HVQMSAQGVBNFCR-UHFFFAOYSA-N 405.502 3.422 0 40 HGAB C[C@H](NC(=O)[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1)c1ccc(-n2cncn2)cc1 14200049 JCVIXNUXKAVLHP-MAUKXSAKSA-N 423.904 3.147 0 40 HGAB Cc1cccc(C(=O)NCC(=O)O[C@@H](C)C(=O)Nc2nc(-c3ccccc3)cs2)c1 15228745 GLMALOBLLVRTSU-HNNXBMFYSA-N 423.494 3.419 0 40 HGAB COc1cc(OC)cc(-c2noc(CSc3nc4ccsc4c(=O)n3C)n2)c1 16843314 UYWIURALHKLPFU-UHFFFAOYSA-N 416.484 3.355 0 40 HGAB Cc1cc(=O)n2c(n1)NC(Nc1cccc(C(F)(F)F)c1)=N[C@@H]2c1cccnc1 17081824 NPBAGHLWJSUYFG-INIZCTEOSA-N 400.364 3.406 0 40 HGAB C[C@@H]1CCCC[C@@H]1NC(=S)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 17083244 BVPYLFVLTHYVQT-CJNGLKHVSA-N 405.549 3.143 0 40 HGAB COc1ccccc1CCNC(=O)CCc1c(C)nc2nc(C(F)(F)F)nn2c1C 17845920 BDRAELZSTLPFFA-UHFFFAOYSA-N 421.423 3.060 0 40 HGAB COC(=O)c1ccc(OCC(=O)Nc2cccc3nsnc23)c(Br)c1 19079397 WDHYENCDSLWWAL-UHFFFAOYSA-N 422.260 3.258 0 40 HGAB CC(C)NC(=O)[C@@]1(Cc2cccc(-c3ccncc3)c2)CCN(C(=O)[C@H]2CCCO2)C1 19449187 JHXALNKORUGAPV-RCZVLFRGSA-N 421.541 3.213 0 40 HGAB CC(C)[C@H]1CN(Cc2ccccc2F)CCN1C(=O)c1n[nH]c(=O)c2ccccc12 19451481 OLGYPBKMUWMUPF-HXUWFJFHSA-N 408.477 3.045 0 40 HGAB COc1ccc(-c2ccccc2C[C@@H]2CN(C(=O)c3ccncc3)CCNC2=O)cc1 19558389 FCUXQFJKGUFUBP-OAQYLSRUSA-N 415.493 3.188 0 40 HGAB COc1ccc2c(c1)OC1(CCN(C[C@@H](O)c3ccc(F)c(F)c3)CC1)C[C@@H]2O 19563017 BAGWHZIHWFDRKW-VQTJNVASSA-N 405.441 3.358 0 40 HGAB COc1ccccc1C(=O)N1CCC[C@@H](c2cc(N(C)C)nc(-c3cnccn3)n2)C1 19584672 BHAWXLUJZWIERB-MRXNPFEDSA-N 418.501 3.028 0 40 HGAB CN(Cc1ccccc1N1CCOCC1)C(=O)CN1CCC(c2ccccc2)CC1 19661250 VZZOCSKEWUFWPH-UHFFFAOYSA-N 407.558 3.361 0 40 HGAB Cc1nccn1C[C@@H](C)C(=O)N1CCC(c2ccc(-c3ccc(N)nc3)cn2)CC1 19689092 XKGAPHJVZSQXBR-MRXNPFEDSA-N 404.518 3.273 0 40 HGAB CC(=O)N1CCc2nc([C@H]3CCCN(C)C3)nc(NCc3cccc(C)c3C)c2C1 19711312 UVXNJRTZBNRLAC-FQEVSTJZSA-N 407.562 3.419 0 40 HGAB Cc1nc([C@@H]2CCCN(Cc3c(C)nn(C(C)C)c3C)C2)nc2c1CCC(=O)N2C 19741500 XQRPEWRPAIVHGZ-GOSISDBHSA-N 410.566 3.468 0 40 HGAB O=C(CSc1nnc2ccc(-c3ccccc3)nn12)NC(=O)Nc1ccccc1 19797181 FGXJIZVUWGOIDB-UHFFFAOYSA-N 404.455 3.232 0 40 HGAB CC(=O)Nc1ccc(OCc2noc(C(=O)NCc3ccccc3Cl)n2)cc1 20716021 OCEWDVSZJDKDDO-UHFFFAOYSA-N 400.822 3.190 0 40 HGAB COC(=O)c1ccc(NC(=O)C(=O)NCC2(c3ccc(OC)cc3)CCCC2)cc1 21691558 VVNOXCYXGAKZSJ-UHFFFAOYSA-N 410.470 3.049 0 40 HGAB CCc1cccc(CC)c1NC(=O)c1cc(OC)c(OC)cc1N(C)S(C)(=O)=O 22251394 MZNWQJQOWDSKDU-UHFFFAOYSA-N 420.531 3.477 0 40 HGAB CC(=O)N1CCN([C@@H](c2ccccc2)c2sc3nc(-c4ccco4)nn3c2O)CC1 22851823 SFFIRQGHWOUINM-KRWDZBQOSA-N 423.498 3.010 0 40 HGAB CCn1c(=O)n(CCC(=O)OCc2ccc(C(=O)N3CCCC3)cc2)c2ccccc21 26292887 PAFWMOJGZIMMLC-UHFFFAOYSA-N 421.497 3.192 0 40 HGAB C[C@H](NC(=O)c1ccccc1NS(=O)(=O)c1ncn(C)c1Cl)c1ccccc1 26532577 HTVZCKDNQIYGCV-ZDUSSCGKSA-N 418.906 3.365 0 40 HGAB O=C(Nc1ccc(N2CCCCC2)c2ccncc12)c1cnc2n(c1=O)CCS2 30013277 HPOHMTJIYWJGKQ-UHFFFAOYSA-N 407.499 3.140 0 40 HGAB CS(=O)(=O)N1CCC(C(=O)Nc2cccc(OCc3ccc(F)cc3)c2)CC1 32788050 FOHOSAQHRWASBA-UHFFFAOYSA-N 406.479 3.015 0 40 HGAB CCc1c(C(=O)NC2CCN(C(=O)c3ccoc3)CC2)cnn1-c1ccc(C)cc1 32796027 PKAVHCPGASUDIP-UHFFFAOYSA-N 406.486 3.371 0 40 HGAB COc1cccc([C@@H](NC(=O)N[C@H](C)c2ccc3c(c2)OCO3)c2nccn2C)c1 32802456 MPVWYRUQWSFXAW-JLTOFOAXSA-N 408.458 3.307 0 40 HGAB Cc1ccc(Cl)cc1N1CCN(C(=O)NCc2ccc(Cn3cncn3)cc2)CC1 32889737 LREBWFRZHXDZIS-UHFFFAOYSA-N 424.936 3.320 0 40 HGAB COc1ccccc1N1C[C@H](c2nc3ccccc3n2CC(=O)NC(C)C)CC1=O 33004227 XFNLECPPNRZIAL-MRXNPFEDSA-N 406.486 3.090 0 40 HGAB Cc1nccc(-c2cccc(NC(=O)c3cccc(S(=O)(=O)NCC4CC4)c3)c2)n1 33126497 KYXQMWIRWAXVDM-UHFFFAOYSA-N 422.510 3.393 0 40 HGAB Cc1ccc2cc(CN(C[C@@H]3CCCO3)C(=O)c3ccccc3)c3nnnn3c2c1 35290956 OGHYXCBCLAGEOV-FQEVSTJZSA-N 401.470 3.407 0 40 HGAB CN1C(=O)N(CC(=O)N2CCC(=Cc3cccc(F)c3)CC2)C(=O)C12CCCCC2 40135707 YTJXKVGULDFTAA-UHFFFAOYSA-N 413.493 3.428 0 40 HGAB Cc1cc2nn(CC(=O)Nc3ccccc3)c(=O)n2c(Nc2ccc(C)c(F)c2)n1 49410759 KHCAZGSQKRFLTE-UHFFFAOYSA-N 406.421 3.029 0 40 HGAB COC(=O)c1ccc(Cl)cc1NC(=O)CSc1nc2ccsc2c(=O)n1C 57416925 NBTXJXUDAGIEDK-UHFFFAOYSA-N 423.903 3.166 0 40 HGAB Cc1cc(C(=O)N2CCN(CC(=O)Nc3ccccc3Cl)CC2)c(C)n1C1CC1 58169726 ZSAGUVOHKQESFL-UHFFFAOYSA-N 414.937 3.490 0 40 HGAB CCCOC(=O)c1ccc(NC(=S)NC(=O)c2ccc(OC)cc2OC)cc1 59294123 NCVKJKGDUBWIMO-UHFFFAOYSA-N 402.472 3.397 0 40 HGAB O=S(=O)(c1cc2c(cc1Br)OCCO2)N(C1CCCC1)C1CC1 60908886 WXOOMMPBCKEMOD-UHFFFAOYSA-N 402.310 3.316 0 40 HGAB C[C@H]1CCCN(c2nc3ncn(CC(=O)Nc4ccccc4Cl)c(=O)c3s2)C1 67226052 PAMLKACRVNADKZ-LBPRGKRZSA-N 417.922 3.381 0 40 HGAB Cc1nc(-c2ccc(F)cc2)n(CC(=O)Nc2cccc(Cl)c2)c(=O)c1CCO 67300920 PDQSRFHYZSQNQK-UHFFFAOYSA-N 415.852 3.185 0 40 HGAB COc1cccc(CNC(=O)c2ccc(Oc3nccnc3N3CCOCC3)cc2)c1 67334573 NYLGYCNCPGMCEB-UHFFFAOYSA-N 420.469 3.044 0 40 HGAB CN(C1CCCCC1)S(=O)(=O)c1cccc(C(=O)NCCCCn2ccnc2)c1 70009506 OHMOVAMGCGFQKV-UHFFFAOYSA-N 418.563 3.047 0 40 HGAB COc1ccc2c(C)c(CC(=O)NCCn3ccc4c(OC)cccc43)c(=O)oc2c1 72324735 FTXATPQHGTWNPI-UHFFFAOYSA-N 420.465 3.432 0 40 HGAB biogenic O=C1N[C@]2(CC[C@@H]3CN(C(=O)c4nsc(Cl)c4Cl)C[C@@H]32)Nc2ccccc21 72326869 FBGVSFZDUXSZDM-TUFKUPSJSA-N 423.325 3.484 0 40 HGAB C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)Cn1cnc2c(oc3ccccc32)c1=O 78974674 RCYLTGZDQLXSCE-KJEZJMDVSA-N 423.494 3.100 0 40 HGAB CCOC(=O)c1c(N)sc2c1CCN(c1cc(CC)nc(-c3ccncc3)n1)C2 95408911 ZGANKBKSIBMQLX-UHFFFAOYSA-N 409.515 3.484 0 40 HGAB CNC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[C@@H]2c2nc3cc(Cl)ccc3[nH]2)C1 95465218 WQFDCCZROYTVOO-VNQPRFMTSA-N 402.926 3.475 0 40 HGAB COC(=O)C[C@H](c1ccc(OCc2nccn2C)cc1)c1c(O)ccc2nsnc12 96232219 WOPUPWDRZUJBIM-OAHLLOKOSA-N 424.482 3.404 0 40 HGAB CC[C@@H](NC(=O)[C@H](C)N(c1cccc(F)c1)S(C)(=O)=O)c1ccc(OC)cc1 113967624 KCUUXAVSPQPJRT-IFXJQAMLSA-N 408.495 3.256 0 40 HGAB C[C@]12CC[C@H](O)C[C@]1(O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](c3ccc(=O)oc3)C[C@@H]3O[C@]312 119142449 JMNQTHQLNRILMH-DLGPQLMSSA-N 400.515 3.373 0 40 HGAB biogenic CC[C@H](C(=O)N[C@@H](C)COc1ccc(C)cc1)N(c1ccc(C)cc1)S(C)(=O)=O 219102096 DHKASGAMHVCVTG-GHTZIAJQSA-N 418.559 3.432 0 40 HGAB CN(CC(=O)N[C@H]1CC(C)(C)Oc2ccccc21)S(=O)(=O)c1ccc(Cl)cc1 219696988 KCXHFELLAAONPI-KRWDZBQOSA-N 422.934 3.379 0 40 HGAB CCOC(=O)c1cccc(NC(=O)[C@H](C)N(c2ccccc2F)S(C)(=O)=O)c1C 220315584 XVGUDQBOOWRTRL-AWEZNQCLSA-N 422.478 3.104 0 40 HGAB CNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)COc1cccc2ccccc12 222812597 CGJQMPOTNGDTCF-QGZVFWFLSA-N 406.482 3.391 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N(C)c2ccc(F)cc2)c(C)c1 222818919 NHRYUWUEUQSIFE-UHFFFAOYSA-N 408.495 3.206 0 40 HGAB COc1ccccc1[C@H](C)NC(=O)CN(c1cc(Cl)ccc1C)S(C)(=O)=O 223521023 GIVWNKFKORQTSX-AWEZNQCLSA-N 410.923 3.300 0 40 HGAB CCCNC(=O)N1CCC(O)(c2csc(CN3CCc4ccccc4C3)n2)CC1 225474451 QMZPZPFEDVMSJF-UHFFFAOYSA-N 414.575 3.104 0 40 HGAB biogenic,in-vitro CN(CC(=O)Nc1ccccc1C(=O)c1ccccc1)S(=O)(=O)c1ccccc1 225608915 VMKKGLHKWNGKMO-UHFFFAOYSA-N 408.479 3.177 0 40 HGAB CCn1c(=O)sc2cc(S(=O)(=O)N[C@@H](C)COc3ccccc3C)ccc21 225696719 DYBYQUVZEKCWNN-AWEZNQCLSA-N 406.529 3.137 0 40 HGAB CCOc1ccc2c(c1)OC1(CCN(S(=O)(=O)Cc3ccccc3)CC1)CC2=O 225821037 JYHVYHLJJYWBRX-UHFFFAOYSA-N 415.511 3.415 0 40 HGAB O=C(NCc1ccccc1)c1nnc2n1C[C@@H]1CN(Cc3ccccc3Cl)C[C@H]1C2 306143184 XVHSNHPSXLPTOW-MOPGFXCFSA-N 421.932 3.166 0 40 HGAB O=C(N[C@@H]1C(=O)N/[N+](=C\c2ccc(Cl)cc2)[C@@H]1c1ccccc1)c1ccccc1 409052730 HXWOXDUAHMBITL-LADMSCKDSA-O 404.877 3.356 0 40 HGAB Cc1cccc(C)c1NC(=O)CSc1nnc(CNC(=O)Cc2ccccc2)n1C 409166047 CEQCFFGCPULEQY-UHFFFAOYSA-N 423.542 3.022 0 40 HGAB COCCNC(=O)CN1C(=O)S/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)C1=O 409208931 AVQBXSLDELDFSX-YBEGLDIGSA-N 420.874 3.399 0 40 HGAB Cc1nn(-c2ncnc3[nH]cnc23)c2c1[C@H](c1ccc(OCC(C)C)cc1)CC(=O)N2 524732721 WVHRZTDIOBMOBE-INIZCTEOSA-N 417.473 3.356 0 40 HGAB C[C@@H](CCc1n[nH]c2ccccc12)NCc1cccc(CN2CCC[C@H](C(N)=O)C2)c1 543013625 DUXPEFOKKPLFDG-RXVVDRJESA-N 419.573 3.371 0 40 HGAB O=C(c1ccccc1S(=O)(=O)C(F)F)N1CC[C@H](Oc2ccncc2Cl)C1 575413844 CZATTWJOYAWKEB-NSHDSACASA-N 416.833 3.025 0 40 HGAB CS(=O)(=O)N[C@@H]1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1 581088413 CIXHKGKOVUEYQX-XRXFAXGQSA-N 400.544 3.168 0 40 HGAB CN1C(=O)C[C@@H](CNC(=O)c2cccn2C2CC2)[C@@H]1c1cnn(Cc2ccccc2)c1 583614796 LHGMJQMHYLKSHN-FDDCHVKYSA-N 417.513 3.017 0 40 HGAB CCc1ccc([C@H]2COCCN2S(=O)(=O)c2cc3c(cc2Cl)CCC(=O)N3)o1 605593282 PORIEEOWJIPYES-MRXNPFEDSA-N 424.906 3.142 0 40 HGAB COCC(=O)N1CCCCCCCNCc2cc(C(=O)NCc3cccnc3)ccc21 643584746 RCKDONBAUJRVPV-UHFFFAOYSA-N 424.545 3.045 0 40 HGAB C[C@H]1CN(c2ccccc2NC(=O)N2CC[C@]3(C2)C(=O)Nc2ccccc23)C[C@@H](C)O1 681767581 DKPIUHUMJPYEBK-XVTZWQNCSA-N 420.513 3.428 0 40 HGAB C[C@]1(C2CCN(Cc3ccc(C(=O)O)cc3)CC2)CN(Cc2ccccc2)C(=O)CO1 1848356908 QZMOHTLYWIQWKA-RUZDIDTESA-N 422.525 3.415 0 40 HGAB CC(C)CC(=O)N1CCC(COc2ccc(F)cc2)(CC(=O)N2CCOCC2)CC1 2037905389 WFNCOFDMLOOQCF-UHFFFAOYSA-N 420.525 3.108 0 40 HGAB COC(=O)c1c(NC(=O)c2cccc(OC)c2)sc(C(=O)N2CCCC2)c1C 871441 WHHUFMKTTHWQJH-UHFFFAOYSA-N 402.472 3.340 0 40 HGAB COc1cccc(-c2noc([C@H]3CCCN(S(=O)(=O)c4cccc(F)c4)C3)n2)c1 1360268 ULYPWMURQVDFFL-HNNXBMFYSA-N 417.462 3.453 0 40 HGAB Nc1c(C(=O)NC[C@H]2CCCO2)c2nc3ccccc3nc2n1-c1cccc(F)c1 2290837 GNJNUHCTMYGSFG-OAHLLOKOSA-N 405.433 3.204 0 40 HGAB O=C(NCCNc1cccc2ccccc12)c1cccc(S(=O)(=O)N2CCCC2)c1 3234075 LJIZTKHHXFXANG-UHFFFAOYSA-N 423.538 3.466 0 40 HGAB CSCC[C@H](NC(=O)c1nn(C)c(=O)c2ccccc12)c1nc2ccccc2[nH]1 3412273 JVCIKVPARMBNHY-KRWDZBQOSA-N 407.499 3.034 0 40 HGAB C[C@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)Nc3ccc(C(N)=O)cc3)c2C1 3482045 CGLMDYMMLMKLEV-AWEZNQCLSA-N 417.465 3.254 0 40 HGAB COc1ccccc1CNC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl 3615086 FLFOQZKMQLWOKS-UHFFFAOYSA-N 422.934 3.453 0 40 HGAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)C1(NC(=O)OC(C)(C)C)CCCCC1 4026639 MAJMGGUCFHNDIV-QGZVFWFLSA-N 404.507 3.115 0 40 HGAB biogenic CC(=O)c1ccc(NC(=O)CSc2ncnc3c2nnn3-c2ccccc2)cc1 4273720 ZZGWELNXQLRFNF-UHFFFAOYSA-N 404.455 3.144 0 40 HGAB CCOc1ccc([C@H]2CC(c3ccc(OC)c(OC)c3)=NN2S(C)(=O)=O)cc1 4317761 GXRIYAXNTLJCQT-GOSISDBHSA-N 404.488 3.213 0 40 HGAB CC[C@](C)(CC(=O)O)CC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 5420205 KQYLNLYUSFQJQN-KRWDZBQOSA-N 411.505 3.164 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2nc3ccccc3[nH]2)c1 6079801 FERDJGCFHGTGEB-UHFFFAOYSA-N 406.895 3.499 0 40 HGAB Cc1ccc(NC(=O)Cn2c(C[C@@H]3CCS(=O)(=O)C3)nc3ccccc32)cc1C 6590116 PFBNKNVWMKYMQF-KRWDZBQOSA-N 411.527 3.269 0 40 HGAB CSc1nc(N2CCCCC2)c2cc(C(=O)NCCCn3ccnc3)sc2n1 7342980 LXFDRZFMWQPIAD-UHFFFAOYSA-N 416.576 3.420 0 40 HGAB CCOc1ccc(CN(CC)S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cc1OC 7703369 RFYFKBMVKIQHST-UHFFFAOYSA-N 418.515 3.189 0 40 HGAB CCCn1nc(C(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C)C3)c2ccccc2c1=O 9120194 IUVPJZOCKCSERJ-LBPRGKRZSA-N 424.526 3.344 0 40 HGAB O=C(/C=C/c1cnn(-c2ccccc2)c1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 9389862 PEBRFLNHSJIGEM-ZHACJKMWSA-N 413.481 3.392 0 40 HGAB COc1ccc(N2C[C@H](NC(=O)Nc3ccc(OC(F)F)cc3)CC2=O)cc1OC 9568851 PBMOZPZLBZRNOB-CYBMUJFWSA-N 421.400 3.232 0 40 HGAB CC(C)(C)c1ccc(N(CC(=O)NCCCc2ccccc2)S(C)(=O)=O)cc1 10110326 RDNPYDQZXZKJJR-UHFFFAOYSA-N 402.560 3.499 0 40 HGAB O=C(C1CCCC1)N1CCC[C@H](c2nc(N3CCOCC3)ncc2-c2ccncc2)C1 12089342 JDCZRQQCFYSBTQ-FQEVSTJZSA-N 421.545 3.271 0 40 HGAB O=C(CN1N=C(c2ccccc2)Cn2c(cc3ccccc32)C1=O)NCc1ccco1 12117970 COPWFFRGYRXMBD-UHFFFAOYSA-N 412.449 3.411 0 40 HGAB Cc1ccc(CN2CCC(c3nc(-c4ccncc4)ncc3S(C)(=O)=O)CC2)o1 12119399 MQBGDPBYMKRIDL-UHFFFAOYSA-N 412.515 3.223 0 40 HGAB COc1ccc2c(CN3CCc4nc(-c5ccccn5)nc(O)c4C3)cn(C)c2c1 12122542 IGXRJOMBBNACGS-UHFFFAOYSA-N 401.470 3.303 0 40 HGAB Cc1nc(NC(=O)Cc2n[nH]c(=O)c3ccccc23)sc1-c1nccn1C(F)F 12520592 UNKMGGPLUSJVND-UHFFFAOYSA-N 416.413 3.128 0 40 HGAB O=C(COC(=O)C1=NN(c2ccccc2)C(=O)CC1)Nc1cccc(C(F)(F)F)c1 12659775 PZAGRXKKHOHCMY-UHFFFAOYSA-N 419.359 3.370 0 40 HGAB COc1ccc(NC(=O)c2sccc2-n2cccc2)cc1S(=O)(=O)N(C)C 12728090 OJGPBCGXFJEACB-UHFFFAOYSA-N 405.501 3.050 0 40 HGAB CCOC(=O)c1ccc(NC(=O)c2sccc2S(=O)(=O)N2CCCCC2)cc1 12872485 ZOOBZQADZSUZEK-UHFFFAOYSA-N 422.528 3.352 0 40 HGAB CCN(CC(=O)NCc1ccc(Cl)cc1)C(=O)c1ccc(N2CCCC2=O)cc1 12887021 URDABPINSGINHG-UHFFFAOYSA-N 413.905 3.245 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3c4ccccc4C[C@H]3C)C2)s1 12904615 ZQGHTKPMXGTPDN-PBHICJAKSA-N 404.557 3.435 0 40 HGAB CC(C)c1ccc([C@@H](C)NC(=O)C2CCN(S(=O)(=O)c3ccn(C)c3)CC2)cc1 12906553 PBFLABQJSDMDOD-QGZVFWFLSA-N 417.575 3.427 0 40 HGAB C[C@@H](NC(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1)c1ccccc1Cl 12911720 DANXRVOJGKGIRP-ZBFHGGJFSA-N 422.934 3.288 0 40 HGAB Cc1cc(C)c(NC(=O)CNC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(F)c3)C2)c(C)c1 12912931 WIFSZXIHQBPKFG-QGZVFWFLSA-N 411.477 3.167 0 40 HGAB CC(C)[C@@H](NS(=O)(=O)c1cccs1)C(=O)Nc1cnc2c(cnn2C(C)C)c1 12977167 NHRPJTQHLJFVRN-MRXNPFEDSA-N 421.548 3.015 0 40 HGAB Cc1cc(Br)ccc1NC(=O)CN(C)CC(=O)Nc1cccc(F)c1 13039823 BQBONAKJIYNPEC-UHFFFAOYSA-N 408.271 3.406 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCN(Cn3cnc4cc(C)c(C)cc43)CC2)cc1C 13059087 UNWXMDBREITYOU-UHFFFAOYSA-N 412.559 3.234 0 40 HGAB Cc1cc(C)n2ncc(C(=O)N3CCC[C@H]([C@H]4CC(=O)c5ccccc5O4)C3)c2n1 13225430 QQFXRFGMSYRHLM-HRAATJIYSA-N 404.470 3.232 0 40 HGAB CCOc1ccc(CNC(=O)c2ccc(C)c(S(=O)(=O)N3CCCC3)c2)cc1 13632354 VMBBOPUNPNDVQU-UHFFFAOYSA-N 402.516 3.108 0 40 HGAB CCOC(=O)c1ccc(C)c(NC(=O)CN(c2ccc(C)cc2C)S(C)(=O)=O)c1 13648464 DIWNGRRRGNFZRR-UHFFFAOYSA-N 418.515 3.193 0 40 HGAB Cc1ccc(C)c(N([C@H](C)C(=O)NCCSCc2ccco2)S(C)(=O)=O)c1 13682843 WITFWUXCEZPPRV-MRXNPFEDSA-N 410.561 3.101 0 40 HGAB COc1ccc([C@H](CNC(=O)Cc2c(C)nn(-c3ccccc3)c2C)N(C)C)cc1 14201489 UBFIMBZCQKENJE-QHCPKHFHSA-N 406.530 3.459 0 40 HGAB C[C@@H]1C[C@@H](C)CN(Cc2csc(NC(=O)Cc3n[nH]c(=O)c4ccccc34)n2)C1 14528826 JCWIMQWXUDKMST-ZIAGYGMSSA-N 411.531 3.039 0 40 HGAB Cc1c(Cl)cccc1N1C(=O)[C@@H]2[C@H](C(C)C)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 16012109 NAGKCLVBCKSYTI-KGYLXKDPSA-N 423.900 3.229 0 40 HGAB Cc1cnc(-c2nc3c(c(=O)[nH]2)CN(Cc2cccc(Cl)c2Cl)CC3)cn1 19239079 NGTVJFMAIUMXDA-UHFFFAOYSA-N 402.285 3.400 0 40 HGAB Cc1nc([C@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccnc2)cc(N(C)C)n1 19240906 QQJXRNNHUWGINY-FQEVSTJZSA-N 400.486 3.441 0 40 HGAB Cn1ccnc1C1(O)[C@H]2CCC[C@@H]1CN(Cc1cccc(Oc3ncccn3)c1)C2 19291402 PATIITISNHWANJ-LIMIJEPZSA-N 405.502 3.122 0 40 HGAB O=C(CCOc1ccc(Cl)cc1)N1CCO[C@@H](c2nc(-c3ccncc3)no2)C1 19335876 MJKYOZHHFQWEJI-QGZVFWFLSA-N 414.849 3.154 0 40 HGAB CC(=O)N1CCC[C@H]1c1nc(CN(C)Cc2cccc3ncccc23)cc(N(C)C)n1 19760322 BHORSUBFJPSUIG-QFIPXVFZSA-N 418.545 3.406 0 40 HGAB CCCOc1c(I)cc(C=O)cc1I 20156215 LJCVUIAWOBUYFN-UHFFFAOYSA-N 415.996 3.497 0 40 HGAB COc1ccc([C@H](C)NC(=O)CN(c2ccccc2C(C)C)S(C)(=O)=O)cc1 22397394 YTWWUNWMRYNACE-INIZCTEOSA-N 404.532 3.462 0 40 HGAB O=C(CCN1C(=O)NC2(CCCC2)C1=O)N[C@@H](Cc1ccccc1)c1ccccc1 23762119 WCXQMECPXFFPHA-FQEVSTJZSA-N 405.498 3.341 0 40 HGAB O=S(=O)(N[C@@H](CN1CCOCC1)c1ccccc1)c1ccccc1C(F)(F)F 24097238 BABLSWDTLFWFHP-KRWDZBQOSA-N 414.449 3.057 0 40 HGAB Cc1nc(-c2ccc(CCNC(=O)c3cccc(NS(C)(=O)=O)c3)cc2)cs1 24658336 POWVBTCUXMRGAS-UHFFFAOYSA-N 415.540 3.463 0 40 HGAB CCn1c(NC(=O)c2sccc2S(=O)(=O)N2CCCC2)nc2ccccc21 25325144 SNLFBWWGPMLNII-UHFFFAOYSA-N 404.517 3.155 0 40 HGAB CN(C)[C@H](CNC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1)c1ccsc1 25331874 BRXOMERSDNVWPN-LJQANCHMSA-N 421.513 3.298 0 40 HGAB Cc1ccc(OCCNC(=O)NC2CCN(CC(=O)Nc3ccccc3)CC2)c(C)c1 26281954 PXXQKEKNNCADLS-UHFFFAOYSA-N 424.545 3.085 0 40 HGAB O=S(=O)(Nc1ccccc1-c1nc(C2CC2)n[nH]1)c1ccc2c(c1)OCCCO2 27597819 UJHGACZBZCAJIA-UHFFFAOYSA-N 412.471 3.311 0 40 HGAB O=C(N[C@H]1CCOc2ccccc21)c1ccc(S(=O)(=O)Nc2ccncc2)cc1 28837036 RDMXOKSVZMJUGA-IBGZPJMESA-N 409.467 3.136 0 40 HGAB COC(=O)c1ccc(CN(C)S(=O)(=O)c2ccc(Br)s2)cc1 30521712 ZOEZQBXUJNJDSW-UHFFFAOYSA-N 404.307 3.118 0 40 HGAB O=C(COc1ccc(-c2nnco2)cc1)Nc1ccccc1C(=O)NC1CCCC1 32667970 PMIDCYHWHXXLOT-UHFFFAOYSA-N 406.442 3.427 0 40 HGAB COc1ccc(CSCC(=O)NCc2cc(OC)c(OC)cc2OC)cc1F 32788272 RDVRXJZUGKIKSA-UHFFFAOYSA-N 409.479 3.410 0 40 HGAB O=C1CN(c2ccc(NC(=O)c3cccc(Br)c3)cc2Cl)CCN1 32915417 QYKLAEZLRNPUFW-UHFFFAOYSA-N 408.683 3.291 0 40 HGAB COc1ccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(C)cc2)cc1Cl 32962558 ADJRHLYOZXYQEJ-QGZVFWFLSA-N 408.907 3.449 0 40 HGAB Cc1c(C(=O)N2CCN(C(=O)[C@@H]3C[C@@H]3c3cccs3)CC2)cnn1-c1ccccc1 38730936 CZTTYFULWOGXSJ-RBUKOAKNSA-N 420.538 3.330 0 40 HGAB CSc1cccc(NC(=O)Cn2cnc3nc(N4CCCCC4)sc3c2=O)c1 45970203 NWVJQRWHNSQONX-UHFFFAOYSA-N 415.544 3.204 0 40 HGAB COc1ccc2cc([C@H](C)C(=O)N3CCC(NC(=O)c4cnn(C)c4)CC3)ccc2c1 48287370 DJERAUTVZPGRCH-INIZCTEOSA-N 420.513 3.106 0 40 HGAB CCOCCCNC(=O)CC12CC3CC(C1)CC(CC(=O)NCCCOCC)(C3)C2 48308714 SCAMQFJKNMESOE-UHFFFAOYSA-N 422.610 3.439 0 40 HGAB Cc1cccc2c(=O)n(CCC(=O)Nc3ccc4nc(N(C)C)ccc4c3)cnc12 48356041 QQPRVKHIQVVVLQ-UHFFFAOYSA-N 401.470 3.348 0 40 HGAB Cc1ccc(NC(=O)Cn2nc3cc(C)nc(Nc4ccc(F)cc4)n3c2=O)cc1 49410639 VOADFGSTJBWRFT-UHFFFAOYSA-N 406.421 3.029 0 40 HGAB O=C(C[C@@H]1C(=O)OCCN1Cc1ccccc1)Nc1cccc(OC(F)(F)F)c1 54672204 AARIJNDGNMEZIK-QGZVFWFLSA-N 408.376 3.341 0 40 HGAB Cc1cccc(-n2ccnc2S(=O)(=O)[C@H](C)C(=O)N2c3ccccc3C[C@H]2C)c1 58328489 STTHWGZHUKWGNJ-IAGOWNOFSA-N 409.511 3.321 0 40 HGAB CC(=O)NCc1ccc(S(=O)(=O)N(Cc2ccsc2)c2cccnc2)s1 58343521 CJQBCAXDZSNBNU-UHFFFAOYSA-N 407.542 3.236 0 40 HGAB CCOC(=O)c1ccn(-c2cccc(NC(=O)c3csc(-c4cnn(C)c4)n3)c2)n1 58426562 VHRIOWJAJMQDLO-UHFFFAOYSA-N 422.470 3.158 0 40 HGAB Cc1csc([C@](O)(CC(=O)N2CCC(N3CCCCC3)CC2)C(F)(F)F)n1 58856244 CEFRHITYPKIVNJ-QGZVFWFLSA-N 405.486 3.068 0 40 HGAB O=C(Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2CC2CCCCC2)cc1)C1CCC1 67896478 VUEXBSFFTZLZEV-IFMALSPDSA-N 400.519 3.266 0 40 HGAB biogenic,in-vitro CN(CCCNC(=O)c1cc(Cn2ccc(C(F)(F)F)n2)on1)c1ccccc1 78878025 HDGMSYMKHXVABX-UHFFFAOYSA-N 407.396 3.195 0 40 HGAB Cc1cc(=O)c(OCC(=O)NC[C@H](c2ccccc2)c2c[nH]c3ccccc23)c[nH]1 95476663 MGVFVZQFNFVEHL-LJQANCHMSA-N 401.466 3.492 0 40 HGAB O=C1OCCN1CCN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 96834799 XZQYKJBBNVXDOV-UHFFFAOYSA-N 401.457 3.124 0 40 HGAB C[C@H]1/C(=C\C(=O)OCCN(C)C)CC[C@@H]2[C@@H]1C(=O)C[C@H]1C(C)(C)[C@@H](O)CC[C@@]21C 101999188 GMHWATCMBXIANN-MQBYOADVSA-N 405.579 3.456 0 40 HGAB C[C@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCC1)[C@H]1C[C@H]2CC[C@H]1C2 103442119 DKAISZHYNUYTJS-LSTDLKDCSA-N 419.591 3.092 0 40 HGAB Cc1cc(C)c(NC(=O)CN2C(=O)C(=O)N([C@@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)C2=O)c(C)c1 104673282 DRFHIHCETLVQIY-XSLAGTTESA-N 411.502 3.166 0 40 HGAB COc1cc(/C=c2/s/c(=C/C(=O)C(C)(C)C)[nH]c2=O)ccc1OCc1ccccc1 105738795 YVWKFSGGWZLNAQ-STHOXOPSSA-N 423.534 3.249 0 40 HGAB COc1cccc(N([C@@H](C)C(=O)N[C@@H](C)c2ccc(C)cc2C)S(C)(=O)=O)c1 220182684 KBBVPYUFKBIKNO-IRXDYDNUSA-N 404.532 3.344 0 40 HGAB CCOc1ccccc1CNC(=O)[C@@H](CC)N(c1cccc(C)c1)S(C)(=O)=O 220520519 HFRUNSQLDIIVFB-LJQANCHMSA-N 404.532 3.255 0 40 HGAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)OC(C)C)ccc2N2CCOCC2)cc1 223423156 DJNTWGNSDKDDDJ-UHFFFAOYSA-N 418.515 3.198 0 40 HGAB COC(=O)c1cccc(S(=O)(=O)Nc2ccccc2C(=O)NC2CCCCC2)c1 223792437 LMDBLWCSOWMDPS-UHFFFAOYSA-N 416.499 3.337 0 40 HGAB CCSc1nnc(NC(=O)[C@@H](C)N(c2ccc(CC)cc2)S(C)(=O)=O)s1 224073850 DSUOKIBZZVDKQL-LLVKDONJSA-N 414.578 3.006 0 40 HGAB COC(=O)CN(c1ccc(F)c(F)c1)S(=O)(=O)c1ccc(Br)cc1 224736890 LYTQHXLWOXXEKP-UHFFFAOYSA-N 420.231 3.096 0 40 HGAB COC(=O)CN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccc(OC)c(OC)c1 224805149 FLZRLYSHOKBAEJ-UHFFFAOYSA-N 413.879 3.034 0 40 HGAB Cc1ccc(CCCNC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 225486298 IQTXRNWHIZLKEC-UHFFFAOYSA-N 418.534 3.284 0 40 HGAB C[C@H](C(=O)Nc1ccccc1CN1CCCCC1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O 253375269 PBURPTYVIMFIBE-OZMCLOMFSA-N 409.530 3.031 0 40 HGAB NC(=O)CC1(COc2ccccc2)CCN(C(=O)COc2ccc(Cl)cc2)CC1 257306647 SVFDIGXSQXLIPG-UHFFFAOYSA-N 416.905 3.282 0 40 HGAB O=C(CSc1nnc(-c2ccccc2O)n1-c1ccccc1)NC[C@@H]1CCCO1 408599861 MZEZUANRFIYZDX-INIZCTEOSA-N 410.499 3.027 0 40 HGAB Cc1ccccc1/C=[N+]1\NC(=O)[C@@H](NC(=O)c2ccc(F)cc2)[C@@H]1c1ccccc1 409062309 RMXPIMUBOBJMOX-NXTBZVMJSA-O 402.449 3.150 0 40 HGAB CCC[C@@H](C)NC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(OC)cc1 409390330 UOYXOFJKDSHDKA-GOSISDBHSA-N 418.559 3.233 0 40 HGAB COc1cc(/C=C\C(N)=O)cc(I)c1OCc1ccccc1 409416173 BHCGVKRWQFICPG-FPLPWBNLSA-N 409.223 3.377 0 40 HGAB Cc1ccc(NC(=O)C2CCN(c3ccc4cccc(O)c4n3)CC2)cc1C(N)=O 509326145 WNJVNEOUBPCZOB-UHFFFAOYSA-N 404.470 3.203 0 40 HGAB O=C(O)C[C@@H]1CCN(C(=O)Cc2ccccc2)C[C@@H]1Cc1nc2ccc(F)cc2[nH]1 514288499 GKYLUEQEMUWKKP-IRXDYDNUSA-N 409.461 3.427 0 40 HGAB biogenic,in-vitro Cc1cc(C)nc(Nc2cc([C@H]3CCCCN3C(=O)/C=C/CN(C)C)nc(C)n2)n1 585292504 NRRUBQUHPSYFTE-LHUXKHBRSA-N 409.538 3.107 0 40 HGAB CCCC(=O)N1CCC2(CCCCOCCNC(=O)c3ccccc3OC2)CC1 643564759 DLUWMRQJLALODU-UHFFFAOYSA-N 402.535 3.405 0 40 HGAB CCC(=O)N1CCCN(C2CCOCC2)CCCN(C(C)=O)c2ccccc2C1 643581391 PHOLEPIEHFSWSJ-UHFFFAOYSA-N 401.551 3.053 0 40 HGAB Cc1ccc(C)c(S(=O)(=O)NCc2ccc(C(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)c1 630814 TZQFKLOTXJPZDP-ROUUACIJSA-N 416.543 3.031 0 40 HGAB Cc1coc2cc3oc(=O)c(CC(=O)N[C@H](C(=O)O)c4ccc(O)cc4)c(C)c3cc12 2117575 RUQXWFPWTDQOGR-NRFANRHFSA-N 421.405 3.346 0 40 HGAB biogenic COc1ccccc1-c1nc2s/c(=C\c3ccccc3Br)c(=O)n2n1 2379218 DORSVZOXHSMNDU-GDNBJRDFSA-N 414.284 3.137 0 40 HGAB COc1ccc(CCNC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)cc1 3216192 OUPTWCDLQKOXJF-UHFFFAOYSA-N 416.543 3.151 0 40 HGAB Cc1ccc(C)c(NC(=O)Cn2cnc3c(cnn3-c3ccc(Cl)cc3)c2=O)c1 4165892 XDXADWNIIDTEER-UHFFFAOYSA-N 407.861 3.491 0 40 HGAB Cc1ccc(C(=O)COC(=O)[C@H](C(C)C)N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2=O)cc1C 4181985 FGLSBANXJAAJQN-NXIXHYNASA-N 411.498 3.085 0 40 HGAB CCOC(=O)c1ccc(CN2C(=O)S[C@@H](Nc3ccc(C(=O)O)cc3)C2=O)cc1 4748467 STCPRZPASCDOCC-MRXNPFEDSA-N 414.439 3.195 0 40 HGAB Cc1ccc2nc(N3CCN(C(=O)CCC(=O)O)CC3)nc(-c3ccccc3)c2c1 4937471 BMXHBXKMOZSMBV-UHFFFAOYSA-N 404.470 3.119 0 40 HGAB Cc1ccc(C)c(Cn2c(=O)c3c(nc4n(C5CCCC5)c(C)cn34)n(C)c2=O)c1 5252171 YOMPJQKUMWDHFA-UHFFFAOYSA-N 405.502 3.238 0 40 HGAB C[C@@H](Sc1nnc(C2CC2)n1C1CC1)C(=O)Nc1ccc(N2CCOCC2)cc1 5261764 JLSBRIWLPCWJKV-CQSZACIVSA-N 413.547 3.446 0 40 HGAB CC(=O)OCC(=O)[C@@]1(O)[C@H](C)C[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 5528255 WAFWZVAYLWXGLG-PEXJSOEQSA-N 406.563 3.499 0 40 HGAB COc1cc([C@H]2OC[C@@H]3[C@H]2CO[C@H]3c2cc(OC)c(O)c(OC)c2)cc(OC)c1O 5998959 KOWMJRJXZMEZLD-SRLQQUAWSA-N 418.442 3.207 0 40 HGAB biogenic,in-man CCN(CC)S(=O)(=O)c1cccc(-c2nnc(S)n2Cc2ccccc2)c1 6173362 WMPUWDFLFMCTAB-UHFFFAOYSA-N 402.545 3.313 0 40 HGAB O=C(c1ccc2c(c1)OCO2)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1 6345695 HFYGXQXXFMKWKM-UHFFFAOYSA-N 400.303 3.073 0 40 HGAB CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CN1CCCCCC1 6910637 OCTRCBRJGWYCDT-UHFFFAOYSA-N 405.539 3.135 0 40 HGAB C[C@]1(c2ccc3c(c2)OCCCO3)NC(=O)N(Cc2ncc(-c3ccccc3)o2)C1=O 7282340 QGHPOWAJQUUJNA-HSZRJFAPSA-N 419.437 3.470 0 40 HGAB CCOC(=O)c1[nH]c(CSc2nnc3nc(C)cc(C)n23)c(C(=O)OCC)c1C 7652881 GNUGRGZNWCTIEB-UHFFFAOYSA-N 417.491 3.023 0 40 HGAB CCOc1cc2c(cc1CNC(=O)c1cc(S(C)(=O)=O)ccc1C)O[C@@H](C)C2 8272234 VJSZTTBQCLPRIL-AWEZNQCLSA-N 403.500 3.051 0 40 HGAB CCOc1ccccc1N1CCN(C(=O)[C@@H]2CC(=O)N(Cc3ccc(C)cc3)C2)CC1 8291067 KDELXPQJMXWNPW-OAQYLSRUSA-N 421.541 3.091 0 40 HGAB O=C(NC1CCCCC1)[C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(COc2ccccc2)nn1 8298891 URHMOSIDFDPDST-AAIMPIBUSA-N 423.561 3.016 0 40 HGAB biogenic,in-vitro CCOc1cc2c(cc1OCC)CN(C(=O)c1ccc(S(C)(=O)=O)cc1)CC2 8388576 CKSFQFVCCIKVGU-UHFFFAOYSA-N 403.500 3.086 0 40 HGAB O=C(NN=Cc1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1)c1ccc([N+](=O)[O-])cn1 8994573 WHZWJZZIRMQBLC-UHFFFAOYSA-N 414.761 3.365 0 40 HGAB CCN1C(=O)C(C)(C)COc2cc(NS(=O)(=O)c3ccc(OC)c(F)c3)ccc21 9166284 XPVWCIJWHHMRIK-UHFFFAOYSA-N 422.478 3.407 0 40 HGAB CC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccccn3)n2-n2cccc2)cc1 9707816 HCBPEWAFLDOROV-UHFFFAOYSA-N 418.482 3.386 0 40 HGAB COc1ccc(-c2csc(NC(=O)c3ccccc3S(C)(=O)=O)n2)c(OC)c1 9712672 VMEQSLWYFINYEM-UHFFFAOYSA-N 418.496 3.483 0 40 HGAB CC[C@@H](C)n1c(C)cn2c3c(=O)n(Cc4c(F)cccc4Cl)c(=O)n(C)c3nc12 10103903 NODWVOTXCHFKDW-LLVKDONJSA-N 417.872 3.270 0 40 HGAB O=C(NCc1ccc(N2CCOCC2)nc1)c1ccccc1C(=O)c1ccccc1 11153106 BNUFHPYPMWXRDD-UHFFFAOYSA-N 401.466 3.079 0 40 HGAB Cc1cc(-c2cnc(NC(C)C)nc2C2CCN(C(=O)c3cnccn3)CC2)on1 12224779 KDFSKKZOCLNMJB-UHFFFAOYSA-N 407.478 3.070 0 40 HGAB Cc1cc(-c2cnc(N3CCN(c4ncccn4)CC3)nc2-c2ccoc2C)on1 12251530 APEWBIHQPUFWIN-UHFFFAOYSA-N 403.446 3.125 0 40 HGAB COc1ccc(S(=O)(=O)NCc2ccc(C(=O)Nc3ncc(C)s3)cc2)cc1 12409520 CBTDHFGMUHPKBA-UHFFFAOYSA-N 417.512 3.191 0 40 HGAB COc1cc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)c(C(=O)O)cc1OC 12556949 ADKDAJSJABRKLC-UHFFFAOYSA-N 405.350 3.222 0 40 HGAB Cc1nc(-c2ccc(CCNC(=O)CNC(=O)NCc3ccccc3)cc2)cs1 12621449 NCSIXFHFIOORQF-UHFFFAOYSA-N 408.527 3.277 0 40 HGAB CN(CCCC(=O)Nc1cccc2cccnc12)S(=O)(=O)c1ccc(F)cc1 12696245 AMWHEOBHSCLYKI-UHFFFAOYSA-N 401.463 3.413 0 40 HGAB COc1ccc(C)cc1-n1nnnc1SCCC(=O)Nc1ccc(F)c(F)c1 12772737 UVKYOZXMTDNLLF-UHFFFAOYSA-N 405.430 3.378 0 40 HGAB O=C(/C=C/c1cccc(Br)c1)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 12865357 YMSYRDHGIHQDAV-KBOKABMXSA-N 412.349 3.421 0 40 HGAB Cc1cc(C(C)(C)C)cc(C)c1CCNC(=O)CNC(=O)c1ccc2c(c1)OCO2 13022892 WGXCKRRGQSQFNE-UHFFFAOYSA-N 410.514 3.418 0 40 HGAB O=C(N/C(=C/c1ccc(Br)cc1)C(=O)N1CCOCC1)c1cccs1 13126082 SIDGMYKOUZCSAQ-NTCAYCPXSA-N 421.316 3.140 0 40 HGAB O=S1(=O)N[C@@H](C2CCN(Cc3ccc4ncccc4c3)CC2)Nc2ccccc21 13267398 VTKUWOFTUAJLEI-QFIPXVFZSA-N 408.527 3.177 0 40 HGAB Cc1sc2nc(-c3cccs3)nc(N3CCN(CC(=O)N(C)C)CC3)c2c1C 14187390 IIQWWVKEQDUPPN-UHFFFAOYSA-N 415.588 3.247 0 40 HGAB O=C(COc1ccc(Br)cc1)NCc1ccc(Cn2cccn2)cc1 16723511 LMVACLLFMXPCDI-UHFFFAOYSA-N 400.276 3.389 0 40 HGAB NC(=O)c1ccc(NC(=O)COc2cccc3ccc(N4CCCCC4)nc23)cc1 17170560 SUTFYVMCFHXGMZ-UHFFFAOYSA-N 404.470 3.342 0 40 HGAB CCOc1ccc(Cc2nnc(SCC(=O)Nc3ccccc3F)nc2O)cc1 18168906 MHMWWXSEDPAFCG-UHFFFAOYSA-N 414.462 3.437 0 40 HGAB COc1ccc(C(=O)N2CCC(c3nnc(O)cc3-c3cc(C)no3)CC2)cc1F 19121211 MZTIVZMUWPDAQJ-UHFFFAOYSA-N 412.421 3.313 0 40 HGAB CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCCN3S(=O)(=O)N3CCCC3)cc2N1 19500890 FTQJKIMDVLQVQJ-VHDGCEQUSA-N 421.489 3.058 0 40 HGAB CCOC(=O)[C@]1(C[C@@H]2CC(c3ccc(F)cc3)=NO2)CCCN(C[C@@H]2CCOC2)C1 19530027 ZFGKKZFWXMIMPI-NYDSKATKSA-N 418.509 3.391 0 40 HGAB CO[C@H]1CCC[C@@H](C(=O)NCCn2ncc(-c3cnccn3)c2-c2cccs2)C1 19592664 XYLFKVIEJKMYPA-CVEARBPZSA-N 411.531 3.390 0 40 HGAB CCc1nc2ccccc2n1CC(=O)Nc1cccc(N2CCCCS2(=O)=O)c1 19654695 ZYQFOKYZFDUWEL-UHFFFAOYSA-N 412.515 3.167 0 40 HGAB CC(C)(C)OC(=O)N1CCn2c(nnc2[C@H]2CCCN2C(=O)CC2CCCC2)C1 19707988 FXVCWTUKBANAPD-MRXNPFEDSA-N 403.527 3.273 0 40 HGAB Cc1ccc(C)c([C@@H]2CCCN2C(=O)c2ccc(=O)n(CC(=O)N3CCCCC3)c2)c1 19749270 JYKRSGTZYHLZPP-QFIPXVFZSA-N 421.541 3.455 0 40 HGAB COc1cccc(NC(=O)COc2ccc(Cl)cc2S(=O)(=O)N2CCCC2)c1 19935334 SUVJREURXRJPRI-UHFFFAOYSA-N 424.906 3.151 0 40 HGAB CCOC(=O)[C@@H]1C(=O)N=C(N2CCc3ccccc3C2)N[C@@H]1c1ccc(Cl)cc1 20636719 BTTVJVNEYUYKJL-RBUKOAKNSA-N 411.889 3.105 0 40 HGAB COc1ccc(Br)cc1-c1nc(CN2CCN(C(C)=O)CC2)cs1 20940183 XPYWSQSDCNDPJK-UHFFFAOYSA-N 410.337 3.245 0 40 HGAB Cc1nn(C)c2ncc(NC(=O)c3nn(-c4ccc(Cl)cc4)c(C)cc3=O)cc12 22472982 KLPZNTZVUYZEOB-UHFFFAOYSA-N 408.849 3.037 0 40 HGAB COc1ccc([C@H](CNC(=O)c2ccccc2Br)N2CCOCC2)cc1 23106353 KYXDTGWFQPJAQP-IBGZPJMESA-N 419.319 3.261 0 40 HGAB O=C(c1cccc(Br)c1)N1CCN(Cc2ccc3c(c2)OCCO3)CC1 24178466 QFNICRCXSULYJM-UHFFFAOYSA-N 417.303 3.178 0 40 HGAB COc1cccc(C(=O)N2CCN(C(=O)c3ccccc3Br)CC2)c1 29110439 AGUPOHSECHPLHN-UHFFFAOYSA-N 403.276 3.056 0 40 HGAB Cc1cccc(N2CCN(CC[C@@H](C)NS(=O)(=O)c3ccccc3F)CC2)c1 30440053 FSMMYNARNAOKNS-GOSISDBHSA-N 405.539 3.013 0 40 HGAB COc1cccc([C@H](NC(=O)NCc2ccc(OC)c(OC)c2)c2nccn2C)c1 31027505 XVAAGLDYUNUWBQ-FQEVSTJZSA-N 410.474 3.035 0 40 HGAB CC(C)Cn1c(=O)[nH]c(=O)c2c(C(=O)N3CCc4ccccc43)cc(C(C)C)nc21 32059622 HNILJAIZBRCZSL-UHFFFAOYSA-N 406.486 3.067 0 40 HGAB CCOC(=O)C(C[C@H](O)c1nc2ccccc2n1Cc1ccccc1)C(=O)OCC 35167696 ZJLOJTCTHXDJOR-FQEVSTJZSA-N 410.470 3.251 0 40 HGAB Cc1cc2nc3s/c(=C\c4ccc(OCC(=O)OC(C)C)cc4)c(=O)n3c2cc1C 35362905 SEDGLULHMSWATB-JAIQZWGSSA-N 422.506 3.404 0 40 HGAB O=C(Nc1ccc2c([C@H](C(=O)O)N3CCC[C@H](C(=O)O)C3)c[nH]c2c1)c1ccccc1 36360520 JKKRBOBZGKWIHX-MGPUTAFESA-N 421.453 3.343 0 40 HGAB CCN(Cc1nnc(-c2ccccc2)o1)S(=O)(=O)c1c(C)nn(C(F)F)c1C 36614755 ZWEMHVSVKYUQGM-UHFFFAOYSA-N 411.434 3.156 0 40 HGAB O=C(CSc1nc2ccccc2s1)NCCn1nc(-c2ccco2)ccc1=O 38488795 XOKVDECTMGFNKL-UHFFFAOYSA-N 412.496 3.022 0 40 HGAB CCC1(CC)NC(=O)N(CC(=O)Nc2ccc(OC)c(OC3CCCC3)c2)C1=O 45077125 KCPMEVWXUQDTBR-UHFFFAOYSA-N 403.479 3.066 0 40 HGAB CCOc1ccc(-n2c(SCC(=O)Nc3ccccc3)nc3[nH]ncc3c2=O)cc1 51316421 CDWQFGMMSKAUPG-UHFFFAOYSA-N 421.482 3.238 0 40 HGAB Cc1cccc(NS(=O)(=O)c2cccc(C(=O)N3CCO[C@H]4CCC[C@@H]43)c2)c1 56193072 OZHCVUYSFUJHMI-PMACEKPBSA-N 400.500 3.189 0 40 HGAB O=C(COc1ccccc1)NC(=S)NCc1ccc(-c2nc3ncccc3o2)cc1 57328085 YHDJOJUXUVMZPC-UHFFFAOYSA-N 418.478 3.460 0 40 HGAB O=S(=O)(c1ccc(Br)s1)N1CCN(CCc2cccs2)CC1 58158946 YJJLRNPQROLJRW-UHFFFAOYSA-N 421.407 3.121 0 40 HGAB O=S(=O)(N[C@H]1Cc2ccccc2[C@H]1NCc1ccc2c(c1)OCO2)c1ccccc1 58166943 AMPRDAWANTZJSG-NZQKXSOJSA-N 422.506 3.149 0 40 HGAB COc1ccc([C@H](CN2CCN(C)CC2)NC(=O)/C=C/c2ccc(Cl)cc2)cc1 58182560 SVYKKMVDIZSBGJ-GLOIGSRVSA-N 413.949 3.467 0 40 HGAB CC(=O)N[C@H](CC(=O)N1CCO[C@@H]2CCCC[C@H]21)c1ccc(Br)cc1 58445871 CELPNZQYSKCRSK-KZNAEPCWSA-N 409.324 3.186 0 40 HGAB CCS(=O)(=O)c1ccccc1C(=O)NCCOc1ccc(C(F)(F)F)cc1 59309317 KMRSVLZPFCHAIV-UHFFFAOYSA-N 401.406 3.308 0 40 HGAB Cc1nc2nc([C@@H]3CCCN(C(=O)c4ccccn4)C3)cc(C(F)(F)F)c2c(=O)[nH]1 72350871 NJVTZNVDOQEYOT-GFCCVEGCSA-N 417.391 3.060 0 40 HGAB CO[C@H]1CCC[C@H](C(=O)N2CCC([C@@H]3C[C@H](C(F)(F)F)n4ncnc4N3)CC2)C1 72395581 YORHETNOHKQTSO-YHUYYLMFSA-N 415.460 3.010 0 40 HGAB CCOc1c(Cl)cc(/C=C/C(=O)N2CCN([C@@H]3CCSC3)CC2)cc1OC 79045128 CPBUJIOBLMVIQC-DWTRPJMMSA-N 410.967 3.410 0 40 HGAB COCc1nc(OC)c2c(C)c(C(=O)N(C)Cc3ncc(C4CC4)o3)sc2n1 89567502 DCMHKXRFZJFAIJ-UHFFFAOYSA-N 402.476 3.292 0 40 HGAB CCC(CC)(CCO)CNC(=O)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1 89942999 AELSJYQBOZVZPQ-CQSZACIVSA-N 411.340 3.107 0 40 HGAB CC(C)(C)OC(=O)N1C[C@H]2C[C@]3(CO)CN(C(=O)OCc4ccccc4)C[C@@H]3[C@H]2C1 91302614 JTWBIGATXVXFBO-ISJRUSPKSA-N 416.518 3.121 0 40 HGAB O=C1CC[C@H](N2C(=O)c3ccccc3C2=O)C(=O)N1Cc1cccc(C(F)(F)F)c1 95449557 SMNGPYQOYFQNBT-INIZCTEOSA-N 416.355 3.019 0 40 HGAB O=S1(=O)c2ccccc2[C@@]2(CCN(Cc3cccnc3)C2)N1Cc1ccccc1 96261913 KOXWRZSHAHTHOC-QHCPKHFHSA-N 405.523 3.387 0 40 HGAB COc1ccc(NC(=S)N2[C@@H]3CCC[C@@H]2CC(NC(=O)C2CC2)C3)c(OC)c1 100427127 YVGKUMOHNNPYFF-HZPDHXFCSA-N 403.548 3.312 0 40 HGAB O=C(NCCN1CC=CC1)c1cccc(NC(=O)c2cccc(Br)c2)c1 101436339 WFXRJCYXGYBRIM-UHFFFAOYSA-N 414.303 3.303 0 40 HGAB COC(=O)[C@H]1C[C@H](Oc2ccccc2F)CN1C(=O)c1ccccc1Br 206802477 GIUQQZBFNZTWCQ-BLLLJJGKSA-N 422.250 3.423 0 40 HGAB CCN(CC)Cc1ccc(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1 216482000 YHGRKLDZVWIQFN-UHFFFAOYSA-N 401.532 3.456 0 40 HGAB CCOC[C@]1(N)[C@@H](S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1ccc(Br)cc1 218232672 QTBIGFUQEKULKR-GBESFXJTSA-N 424.360 3.431 0 40 HGAB O=C(NCCCc1ccc(F)cc1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 219753971 RYWDMPMFCCYVLK-IBGZPJMESA-N 424.925 3.381 0 40 HGAB Cc1ccccc1OC[C@H](C)NC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 219985935 HOUGESRSCKFFHJ-SFHVURJKSA-N 416.543 3.367 0 40 HGAB CCOC(=O)c1ccc(NC(=O)c2ccc(N3CCCCS3(=O)=O)cc2)c(C)c1 222586988 FNPHCTOJJZRVSG-UHFFFAOYSA-N 416.499 3.354 0 40 HGAB CNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CSCc1cccc(C)c1 222869121 VGLILQNIWNNARB-QGZVFWFLSA-N 400.544 3.400 0 40 HGAB CC[C@H](NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1)c1ccc2c(c1)CCCC2 223129593 VEGNZIGYEUCNPS-FQEVSTJZSA-N 407.557 3.399 0 40 HGAB CC(=O)N1CCCc2cc(S(=O)(=O)Nc3nnc(SC(C)C)s3)ccc21 223337567 DWPFJIVWIQWONB-UHFFFAOYSA-N 412.562 3.139 0 40 HGAB C[C@H](C(=O)NCc1cccc(C(F)(F)F)c1)N(c1cccc(F)c1)S(C)(=O)=O 223340478 PTQCCEZTCMLXKE-GFCCVEGCSA-N 418.412 3.315 0 40 HGAB COC(=O)c1ccc(CS(=O)(=O)NCCOc2ccccc2C(C)(C)C)cc1 223709927 YJDQPVRWZHWLKY-UHFFFAOYSA-N 405.516 3.269 0 40 HGAB COc1cccc(-c2noc(CNS(=O)(=O)c3ccc(OC)c(C(C)C)c3)n2)c1 223773222 CTKZMWIFGGHMGA-UHFFFAOYSA-N 417.487 3.356 0 40 HGAB COC(=O)CN(c1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc(OC)c(F)c1 225113616 XYUNFTMLEBALQW-UHFFFAOYSA-N 421.368 3.221 0 40 HGAB CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NC[C@@H](C)c1ccccc1 225135690 IVFYPLMDFMAONC-UZLBHIALSA-N 404.532 3.160 0 40 HGAB COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc[nH]2)cc1 225205580 YGHJYWGMAMYKMO-UXHICEINSA-N 407.499 3.172 0 40 HGAB COc1ccc(Br)cc1S(=O)(=O)NCCOc1ccccc1Cl 225657594 MCITVOFPKPYGGA-UHFFFAOYSA-N 420.712 3.468 0 40 HGAB CC(C)(C)NC(=S)Nc1nc(Sc2ncccn2)cc(N2CCCCC2)n1 225894547 NMCZHXXDLYZHQD-UHFFFAOYSA-N 403.581 3.493 0 40 HGAB Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCCC[C@H]4C)nc(O)c32)c(C)c1 253567787 KLIKKXGWJIKHGT-CABCVRRESA-N 409.490 3.242 0 40 HGAB CCCN1CCN(C(=O)c2ncc[nH]2)C[C@@H](Cc2ccccc2-c2cccnc2)C1=O 257320693 VYCDCYVLKHMQDR-HXUWFJFHSA-N 417.513 3.025 0 40 HGAB CCc1c(C)nn(-c2ccc(C(=O)NS(=O)(=O)c3ccc(F)cc3)cc2)c1C 257336279 YNTBSUWHPGKBBF-UHFFFAOYSA-N 401.463 3.309 0 40 HGAB CC(C)c1ccc2c(c1)[C@]1(CCO2)C[C@H]1C(=O)NCc1cccc(OCC(N)=O)c1 583623087 QKHRREILBQCNLZ-RDPSFJRHSA-N 408.498 3.031 0 40 HGAB O=C(N[C@@H]1CCN(c2cc(-c3ccccc3)[nH]n2)C1)c1ccc(Br)o1 1888982131 VVDGCTNSYAVWLY-CYBMUJFWSA-N 401.264 3.441 0 40 HGAB O=C(Cn1cnc(C2CC2)cc1=O)N1CCC(c2ccc3cc(Cl)cnc3n2)CC1 1890438782 MDBTVUKOOIUKSZ-UHFFFAOYSA-N 423.904 3.124 0 40 HGAB O=C(CN1C[C@H](c2ccccc2)CC1=O)Nc1ccccc1I 623719 GZUVIYUJSHFNHH-CQSZACIVSA-N 420.250 3.246 0 40 HGAB Cc1ccc(S(=O)(=O)N(C[C@H](O)CN2CCC(C)CC2)c2ccccc2)cc1 787232 FNPYSIAZYBSEDW-OAQYLSRUSA-N 402.560 3.283 0 40 HGAB Cc1cc2cc3c(cc2nc1SCC(=O)NCc1ccc2c(c1)OCO2)OCO3 930036 VTUMWOSAQJKBJU-UHFFFAOYSA-N 410.451 3.409 0 40 HGAB COc1ccc(CNC2=NC(=O)C[C@H](C(=O)Nc3ccc(Cl)cc3)S2)cc1 987299 ICAOBWDPBSBNNJ-MRXNPFEDSA-N 403.891 3.465 0 40 HGAB CN(c1ccccc1)S(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccco2)cc1 1003868 SXDCQSBDDXFKRV-UHFFFAOYSA-N 415.496 3.232 0 40 HGAB CC(C)(C)c1ccc(S(=O)(=O)CCN2C[C@@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1 1321335 RJIHDTYNHTXHGB-ROUUACIJSA-N 414.571 3.039 0 40 HGAB O=C(NCc1ccccc1)C(=Cc1ccc(C(=O)O)cc1)C(=O)NCc1ccccc1 2648872 OSRAQSVLFZDWJH-UHFFFAOYSA-N 414.461 3.401 0 40 HGAB COc1ccc(C(=O)Nc2nc(C)cs2)cc1S(=O)(=O)N1CCCC[C@@H]1C 3561931 ZLUGNTXFROVAPT-ZDUSSCGKSA-N 409.533 3.276 0 40 HGAB Cc1cc2cc(CN(CCCO)C(=S)NCCc3ccccc3)c(=O)[nH]c2cc1C 4132974 GTKSLBGEEXUXIA-UHFFFAOYSA-N 423.582 3.447 0 40 HGAB CCCCCn1c(=O)c2c(nc3n2CCCN3c2cccc(Cl)c2)n(C)c1=O 4249371 QJFJEPGJCWANBT-UHFFFAOYSA-N 401.898 3.282 0 40 HGAB CCOC(=O)c1sc(NC(=O)CSc2nc(C)n[nH]2)nc1-c1ccccc1 4817053 AAHCNVRGMGHRIF-UHFFFAOYSA-N 403.489 3.144 0 40 HGAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)CSc2nc3ccccc3[nH]2)c1 4830179 HJSXQZYEAVOHFF-UHFFFAOYSA-N 418.544 3.324 0 40 HGAB CCn1c(SCc2cccnc2)nnc1[C@@H]1CCCN(C(=O)N2CCCC2)C1 4932429 VNAXPDHRPREBQW-QGZVFWFLSA-N 400.552 3.381 0 40 HGAB COc1ccc(NC(=O)C2CCC(Cn3nnc4ccccc4c3=O)CC2)cc1OC 5205433 UJSUHLQJZCCPSR-UHFFFAOYSA-N 422.485 3.254 0 40 HGAB C[C@H]1CCc2nc(NC(=O)[C@@H]3CCCN3S(=O)(=O)c3cccs3)sc2C1 5298739 ABZYNGDSOMSHOR-AAEUAGOBSA-N 411.574 3.121 0 40 HGAB CC(C)C[C@H](NC(=O)N1CCn2c1nc1ccccc12)C(=O)NCc1cccs1 5489050 PGDIVRAYLHEKPQ-KRWDZBQOSA-N 411.531 3.359 0 40 HGAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(F)cc3)CC2)cc1 5558735 ARGKJNQQFIUDML-UHFFFAOYSA-N 406.479 3.264 0 40 HGAB CN1CCc2c(sc3c2c(=O)n(-c2cccc(Cl)c2)c2n[nH]c(=S)n32)C1 5981564 AOHKOEKMBKEQMT-UHFFFAOYSA-N 403.920 3.399 0 40 HGAB CCOC(=O)C1=C(COC(=O)Cc2ccc(C)c(C)c2)NC(=O)N[C@H]1c1ccccc1 6165328 GJYLVZZZSFJFQO-QFIPXVFZSA-N 422.481 3.260 0 40 HGAB CCCn1c(=O)c2ccccc2n2c(S[C@@H](C)C(=O)NC3CCCCC3)nnc12 6910395 LKIJZELLOYDRDY-AWEZNQCLSA-N 413.547 3.384 0 40 HGAB CC[C@H](C)NC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCCO2 7054171 WTHKZCMOBSYZMJ-AWEZNQCLSA-N 404.488 3.177 0 40 HGAB Cc1cccc(C)c1OC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 7657957 FOSSKLXSDOHQAH-IRXDYDNUSA-N 403.500 3.321 0 40 HGAB CC(C)Cn1c(CCC(N)=O)nnc1S[C@@H](C)C(=O)Nc1ccc(Cl)cc1 7845391 JJAIGWHIKLLEEZ-LBPRGKRZSA-N 409.943 3.125 0 40 HGAB COCc1nc(OC)c2c(C)c(C(=O)N3CCN(c4ccccc4)CC3)sc2n1 7991068 GKFLPYJEWDSNBV-UHFFFAOYSA-N 412.515 3.117 0 40 HGAB CN(CC(=O)Nc1ccc(Cl)cc1)CC(=O)Nc1ccc2c(c1)OCCCO2 8036810 IWYJFUHBXWZBIR-UHFFFAOYSA-N 403.866 3.010 0 40 HGAB COC(=O)COc1ccc(S(=O)(=O)NCc2ccccc2Cl)cc1Cl 8092082 NJUIIGFSGFWDBL-UHFFFAOYSA-N 404.271 3.024 0 40 HGAB CCN(Cc1ccccc1)C(=O)c1cc2c(=O)n3ccccc3nc2n1CCCOC 8475725 SGZSXEQTELBDKR-UHFFFAOYSA-N 418.497 3.348 0 40 HGAB COC(=O)c1c(C(=O)COC(=O)c2ccc(OC)c(OC)c2)c(C)n(C2CC2)c1C 8540439 NZYNYAOHBQFIGY-UHFFFAOYSA-N 415.442 3.283 0 40 HGAB CCCn1c(-c2ccc(Cl)cc2Cl)cn2c3c(=O)n(C)c(=O)n(C)c3nc12 8628425 ZYZZTRDFBPEKIL-UHFFFAOYSA-N 406.273 3.070 0 40 HGAB CCOc1ccc2nc(N3CCN(S(=O)(=O)c4ccccc4)CC3)sc2c1 8966414 XHOHZVAHLVOHJF-UHFFFAOYSA-N 403.529 3.206 0 40 HGAB COc1cc(-c2noc([C@H]3CC(=O)N(c4ccc(F)cc4)C3)n2)cc(OC)c1OC 9320887 QKDIITQHUBALSU-ZDUSSCGKSA-N 413.405 3.422 0 40 HGAB O=C(NCCCn1cnc2ccccc21)C1CCN(C(=O)Nc2ccccc2)CC1 9367725 ZECFDXFGFRMDIB-UHFFFAOYSA-N 405.502 3.487 0 40 HGAB CCOC(=O)c1sc(NC(=O)[C@H](C)Sc2ncccn2)c(C(=O)OCC)c1C 9444102 FTKHOHTUVCLKDW-NSHDSACASA-N 423.516 3.319 0 40 HGAB COc1ccc(N([C@@H](C)C(=O)NCc2cccc(C)c2)S(C)(=O)=O)cc1Cl 10448262 LMGHRJOUBWUZDN-AWEZNQCLSA-N 410.923 3.128 0 40 HGAB O=C(CC12CC3CC(CC(C3)C1)C2)NCCS(=O)(=O)N1CCc2ccccc2C1 10705018 UOUWXLOMRDVQLC-UHFFFAOYSA-N 416.587 3.097 0 40 HGAB O=C(OCCOc1ccccc1)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1 11407924 MULVOADTPOFDFY-UHFFFAOYSA-N 407.463 3.236 0 40 HGAB COc1ccc(OC)c(CC(=O)N2CCC[C@@H](c3[nH]ncc3-c3cc(C)no3)C2)c1 12087349 DAPBMZLNUCIZBF-OAHLLOKOSA-N 410.474 3.339 0 40 HGAB COc1ccc([C@H](O)CN2CCC3(CC2)C[C@@H](O)c2cc(C)ccc2O3)cc1OC 12329675 JGKMQMAJQMCTGP-WOJBJXKFSA-N 413.514 3.396 0 40 HGAB Cc1nn(Cc2noc(C(=O)NCc3ccccc3Cl)n2)c(C)c1Br 12372214 SJFZXUKRUXDTFK-UHFFFAOYSA-N 424.686 3.277 0 40 HGAB O=C(CN1CCCCCC1)NCCN1C(=O)S/C(=C\c2ccccc2Cl)C1=O 12484815 QKJQTEDJOWIYLW-LGMDPLHJSA-N 421.950 3.369 0 40 HGAB CCNc1ccc(S(=O)(=O)C(F)(F)F)cc1NS(=O)(=O)c1ccccc1 12771877 IASMQUBIFFWVMO-UHFFFAOYSA-N 408.423 3.213 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCC(NC(=O)C3(c4ccccc4)CCC3)CC2)cc1 12980518 DYZKADPOUFFCQT-UHFFFAOYSA-N 412.555 3.386 0 40 HGAB C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)Cc1ccc(F)cc1Br 12982451 IPFYCXRYXOMYAP-NSHDSACASA-N 401.301 3.429 0 40 HGAB O=S(=O)(Nc1cc(F)ccc1OCC(F)(F)F)c1ccc2c(c1)OCCO2 12987376 CGDOJZDPJRRTLT-UHFFFAOYSA-N 407.341 3.339 0 40 HGAB Cc1nc2cc(NC(=O)c3cccc(S(=O)(=O)NCc4ccco4)c3)ccc2o1 14167797 DVHXWYHVVIOLOO-UHFFFAOYSA-N 411.439 3.460 0 40 HGAB CCC(=O)c1ccc(OCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)OC)cc1 14234764 GAHHVXYTIDHRKU-FQEVSTJZSA-N 408.454 3.040 0 40 HGAB O=C(c1ccc(Cl)s1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 15557582 GRAHTIFCAIFFOB-UHFFFAOYSA-N 424.975 3.427 0 40 HGAB Nc1nc(COC(=O)CCc2ccc3ccccc3n2)nc(Nc2ccccc2)n1 17163704 BCEFETAJAQTIGM-UHFFFAOYSA-N 400.442 3.422 0 40 HGAB CN(Cc1ccc(Cl)cc1)C(=O)C1CCN(S(=O)(=O)c2cccs2)CC1 17917627 RBFLXLUWUJTNRI-UHFFFAOYSA-N 412.964 3.461 0 40 HGAB CC(C)c1cc(C(=O)N[C@@H](Cc2ccccc2)c2ccc3c(c2)OCCO3)nc(=O)[nH]1 19452476 GZESUDMIXCLKFO-IBGZPJMESA-N 419.481 3.378 0 40 HGAB COc1ccccc1N1C[C@@H](NC(=O)CCc2nc3cc(Cl)ccc3[nH]2)CC1=O 19570993 IOUKAWIUQLSWGI-AWEZNQCLSA-N 412.877 3.079 0 40 HGAB CN(C)c1nccc(-c2c[nH]nc2[C@@H]2CCCN2C(=O)Cc2cc(F)ccc2F)n1 19585804 BVJVVLWBBNFDBG-SFHVURJKSA-N 412.444 3.117 0 40 HGAB Cn1c(=O)c(C(=O)NC[C@H](c2ccc(F)cc2)N2CCCCC2)nc2ccccc21 19666418 HDUDQRYEJPEFTE-HXUWFJFHSA-N 408.477 3.030 0 40 HGAB CN(C)C(=O)c1cc([C@H]2CN(C(=O)CCc3ccccc3)CCO2)nc2ccccc12 19762893 DPHCYFNHMPSKJX-HSZRJFAPSA-N 417.509 3.469 0 40 HGAB CCCCNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(OC)c(Cl)c1 20005887 FEYZDQQHMSUBKO-SFHVURJKSA-N 424.950 3.155 0 40 HGAB COC(=O)c1cccc(NC(=O)N2CCc3nc[nH]c3[C@H]2c2ccc3c(c2)OCO3)c1 20763375 YDBCGNDDHHQXLG-HXUWFJFHSA-N 420.425 3.105 0 40 HGAB biogenic COc1ccc(Cl)cc1N(CC(=O)N[C@@H]1CCCc2ccccc21)S(C)(=O)=O 22336089 AMBYTIFSQJIQHR-QGZVFWFLSA-N 422.934 3.308 0 40 HGAB CC[C@@H](NC(=O)CN(c1ccccc1OC)S(C)(=O)=O)c1ccc(C)cc1C 22362757 VCZMJMDKIGPWID-GOSISDBHSA-N 404.532 3.346 0 40 HGAB COc1ccc(C)cc1NC(=O)CN(c1ccc(OC(C)C)cc1)S(C)(=O)=O 22386892 FXOMCJKOXDBBKD-UHFFFAOYSA-N 406.504 3.196 0 40 HGAB Cc1cc(C(=O)N(CCCN2CCOCC2)c2nc3c(F)cccc3s2)no1 22768248 CEABJPMVHVGAFA-UHFFFAOYSA-N 404.467 3.101 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(OC(C)C)c(NC(=O)c2cccc(C)n2)c1 24750335 HPKKLYWMENGDGG-UHFFFAOYSA-N 405.520 3.460 0 40 HGAB CCOc1cc2c(cc1CSCC(=O)Nc1ccc(C(N)=O)cc1)O[C@H](C)C2 24867553 JIRNKLBWYUIHLJ-CYBMUJFWSA-N 400.500 3.380 0 40 HGAB O=C(Nc1ccc(OC[C@@H](O)COCc2ccc3c(c2)OCO3)cc1)c1ccco1 27213305 CXVCAMKXTGQZHN-KRWDZBQOSA-N 411.410 3.217 0 40 HGAB NS(=O)(=O)c1ccc(CNC(=O)c2ccc(COc3cccc(Cl)c3)o2)cc1 27969779 PJURZXVWUWMULP-UHFFFAOYSA-N 420.874 3.089 0 40 HGAB C[C@@H]1CN(C(=O)c2ccccc2NC(=O)c2cnn(-c3ccccc3)c2)C[C@@H](C)O1 27986499 KJDMDRREJJVEHE-IAGOWNOFSA-N 404.470 3.374 0 40 HGAB CCc1ccc2oc(C(=O)N[C@@H]3CCCC[C@H]3N3C(=O)CSC3=O)cc(=O)c2c1 28284132 UNAFUCGLRVUYRN-HUUCEWRRSA-N 414.483 3.092 0 40 HGAB COc1cccc(NC(=O)[C@H](OC(=O)[C@@H]2CCCN(C(C)=O)C2)c2ccccc2)c1 29895745 ZAKRZIVHTOOOEW-WIYYLYMNSA-N 410.470 3.177 0 40 HGAB O=C(COc1cccc(Br)c1)N[C@H](CN1CCOCC1)c1ccccc1 30538963 MBRBGULNAAUWBW-LJQANCHMSA-N 419.319 3.018 0 40 HGAB Cc1nccn1-c1ccc(CNC(=O)c2ccc(NS(C)(=O)=O)c(Cl)c2)cc1 30865977 KRFOSSZIRMDVAZ-UHFFFAOYSA-N 418.906 3.136 0 40 HGAB Cc1cccc(OCCC(=O)NCc2ccccc2S(=O)(=O)N2CCCCC2)c1 32885712 KXEGCLLBVQWIKM-UHFFFAOYSA-N 416.543 3.255 0 40 HGAB CCOC(=O)c1c(NC(=O)CN2CCOCC2)sc(C)c1-c1ccc(OC)cc1 35586330 PTPGTBSNHNVKCX-UHFFFAOYSA-N 418.515 3.180 0 40 HGAB Cc1cc(C(F)(F)F)nn1CCCNC(=O)Cn1nc(C(F)F)c2c1CCC2 36614179 KEMWTLZEKQSVRW-UHFFFAOYSA-N 405.371 3.040 0 40 HGAB CCn1nc(C)c(S(=O)(=O)N2CCN(Cc3cccc4ccccc34)CC2)c1C 36614549 NOXQCJLWVMFPNN-UHFFFAOYSA-N 412.559 3.180 0 40 HGAB CC(=O)N1CCOc2cc(S(=O)(=O)N3CCC[C@@H]3c3cccc(F)c3)ccc21 36620941 HRVGNYQMMPIXME-GOSISDBHSA-N 404.463 3.097 0 40 HGAB CCC(CC)N(C(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1)C1CC1 40105136 RAJMADHYLVRJHO-IYBDPMFKSA-N 408.564 3.278 0 40 HGAB CCCN(CCC)C(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1 48279653 GOPRIVQNVDVFIH-QFIPXVFZSA-N 407.514 3.149 0 40 HGAB O=C(NC1CCN(C(=O)Nc2ccc(OCC(F)(F)F)nc2)CC1)c1ccccc1 48374501 CJLRINGHUINEQP-UHFFFAOYSA-N 422.407 3.449 0 40 HGAB O=c1c(Cl)c(N2CCN(Cc3ccccc3)CC2)cnn1-c1nc2ccccc2[nH]1 53516929 LALNFURZAFLQRZ-UHFFFAOYSA-N 420.904 3.084 0 40 HGAB CCOC(=O)C1=C(CN2CCc3ccccc3C2)NC(=O)N[C@@H]1c1ccc(F)cc1 57478269 QXOHWUKATHIKLG-OAQYLSRUSA-N 409.461 3.055 0 40 HGAB CC(C)OCCCNC(=O)C1CCN(CC(=O)Nc2ccc(F)c(Cl)c2)CC1 58357136 SCUOCJCNWAAWIE-UHFFFAOYSA-N 413.921 3.061 0 40 HGAB CCS(=O)(=O)Nc1ccccc1C1=NN(C(C)=O)[C@H](c2ccc(OC)cc2)C1 72314560 MQCAQWALGKYGMD-FQEVSTJZSA-N 401.488 3.154 0 40 HGAB CC(C)c1c(C(=O)N2CCN([C@@H]3CCOC3)CC2)cnn1-c1cccc(Cl)c1 79103382 CMZLKLWBPYKJAZ-GOSISDBHSA-N 402.926 3.196 0 40 HGAB O=C(c1ccc2[nH]cnc2c1)N1CCN(c2nccc(Oc3ccc(F)cc3)n2)CC1 84419215 CDOOGBPCXQHHLA-UHFFFAOYSA-N 418.432 3.247 0 40 HGAB C[C@@H](Oc1ccccc1Cl)C(=O)N1CCCN(Cc2noc(C3CC3)n2)CC1 89420154 TUWKKUVMTGUWDH-CQSZACIVSA-N 404.898 3.102 0 40 HGAB C[C@H]1[C@@H](C)N(C(=O)OC(C)(C)C)CCN1S(=O)(=O)c1cnc(Cl)c(Cl)c1 95988845 MFMGFFGFQJSVJL-MNOVXSKESA-N 424.350 3.407 0 40 HGAB O=C1CCC[C@H]1[C@@H]1COCCN1C(=O)c1cc2c(F)cc(Br)cc2[nH]1 96011744 YBFNBJMFEZLPBP-ZBEGNZNMSA-N 409.255 3.280 0 40 HGAB COc1ccc(-c2nn(CCCC(=O)Nc3cccc(C)n3)c(=O)cc2OC)cc1 96100902 RYHAZUSFGOCJCV-UHFFFAOYSA-N 408.458 3.050 0 40 HGAB Cc1cc(NC(=O)[C@@H]2Oc3c(c(=O)oc4ccccc34)[C@H]2c2ccc(O)cc2)no1 96113805 MULPZSDJRFODPF-YLJYHZDGSA-N 404.378 3.327 0 40 HGAB biogenic CN1CC(=O)N(c2ccsc2)C[C@]12CCN(C(=O)c1cccc(C(F)(F)F)c1)C2 96238145 LQTOKTKITNWOSA-LJQANCHMSA-N 423.460 3.330 0 40 HGAB CC(C)N1CCc2c(O)nc(C3CCN(C(=O)Cc4cccc(F)c4)CC3)nc2C1 96319710 CMMWTAIJBZOEMO-UHFFFAOYSA-N 412.509 3.037 0 40 HGAB COc1cccc(OC)c1CNC(=O)[C@H]1[C@H]2CC[C@@]3(CC(=O)c4ccccc4O3)[C@@H]21 100124757 RDIRINWVFVEDCU-RYYYPKKESA-N 407.466 3.380 0 40 HGAB CCCc1cc(C(=O)NC[C@H]2CC[C@H](c3nnc(-c4cnc(C)cn4)o3)CC2)no1 100156166 WDDQERNDRGOVCZ-GASCZTMLSA-N 410.478 3.479 0 40 HGAB O=C1[C@@H]2[C@@H](C(=O)N1c1cccc(C(F)(F)F)c1)N1CCCN1[C@H]2c1ccc(F)cc1 100165959 RASNOJDOUWQTMT-BZSNNMDCSA-N 419.378 3.380 0 40 HGAB CCc1ccccc1N(CN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O)C(=O)C(F)(F)F 100395349 MRYOEHRLOWYCCK-GBALJZQLSA-N 418.415 3.155 0 40 HGAB O=C(/N=c1\c2ccccc2[nH]c(=O)n1Cc1cccs1)Nc1ccc2c(c1)OCO2 101114004 WSQQJFYAHNUMNQ-LYBHJNIJSA-N 420.450 3.301 0 40 HGAB Cn1c(SCc2cc(=O)n3nc(-c4ccccc4)[nH]c3n2)nnc1-c1cccs1 102621299 VDVXPHQFFYBSQU-UHFFFAOYSA-N 421.511 3.234 0 40 HGAB CC[C@H](C(=O)NCCOc1ccc(C)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O 219092677 AFAJHDMXZZQPQY-LJQANCHMSA-N 424.950 3.388 0 40 HGAB CC[C@H](C(=O)NCCSCc1ccco1)N(c1cc(C)ccc1C)S(C)(=O)=O 220539880 HBGGSNFMAIXOIF-GOSISDBHSA-N 424.588 3.491 0 40 HGAB Cc1cc(S(=O)(=O)NCC(C)C)ccc1OCC(=O)N(C)c1ccc(F)cc1 222761129 XQEHHAYLZRUWLE-UHFFFAOYSA-N 408.495 3.110 0 40 HGAB Cc1ccc(OCCNC(=O)CN(c2ccc(C)c(Cl)c2)S(C)(=O)=O)c(C)c1 223684086 YYBFDZVGEBZGIP-UHFFFAOYSA-N 424.950 3.226 0 40 HGAB COc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@@H]3C[C@@H]4CC[C@@H]3C4)cc2)cc1 223982080 DSIQFGBKRZPAOT-AKCHCHLHSA-N 400.500 3.414 0 40 HGAB Cc1cc(C)cc(OCCNC(=O)[C@@H](C)N(c2ccc(C)c(C)c2)S(C)(=O)=O)c1 224071364 FDCZHRAPOFRZKM-LJQANCHMSA-N 418.559 3.270 0 40 HGAB CCS(=O)(=O)N(C)c1ccc(C(=O)NCCOc2ccc(C)c(Cl)c2)cc1 224143326 LHYDYRGILMRWAV-UHFFFAOYSA-N 410.923 3.243 0 40 HGAB CCC[C@]1(C(=O)OCC)N[C@H](c2ccccc2F)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 231643707 BMJHXWPMQWXXQF-FIXDAVPBSA-N 424.472 3.378 0 40 HGAB COc1ccc(Cc2cnc([C@@H]3CCCN(C(=O)c4cc(C)nc(O)n4)C3)o2)cc1 257289612 PZKUQAKCXWYGIM-MRXNPFEDSA-N 408.458 3.098 0 40 HGAB COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)N[C@H]2C[C@H]3CC[C@H]2C3)cc1OC 260798351 SEVVNTCANDCEPN-AFCPICOJSA-N 410.470 3.373 0 40 HGAB COc1ccc(CN2C[C@@H]3[C@@H](Oc4ccc(C)cc4)CCS(=O)(=O)[C@H]3C2)cc1 306123820 AXWJJMJYGUARFQ-FSSWDIPSSA-N 401.528 3.070 0 40 HGAB CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)cc1 408588080 BYHUGGPMHQQJSW-SNVBAGLBSA-N 403.287 3.308 0 40 HGAB CCCOC(=O)c1ccc(N2C[C@@H](C(=O)OCC(=O)c3cccs3)CC2=O)cc1 408638577 SFZLGDNGHHCVNL-HNNXBMFYSA-N 415.467 3.094 0 40 HGAB Cc1cc(C)cc(N2C[C@H](C(=O)OCC(=O)Nc3ccccc3Cl)CC2=O)c1 408654058 JIJPSURRDIOKDI-OAHLLOKOSA-N 400.862 3.492 0 40 HGAB Cc1ccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccc(F)cc3)[C@H]2c2ccccc2)cc1 409052396 DOUKIGIQNHZFPB-DCFWFYTKSA-O 402.449 3.150 0 40 HGAB O=C(CN1C(=O)S/C(=C/c2ccc[nH]2)C1=O)Nc1ccccc1Br 409335022 YJWHEGUDDLCZOA-MDWZMJQESA-N 406.261 3.452 0 40 HGAB CCc1nc(CN2CCN(C(=O)Nc3ccc4c(c3)NC(=O)CS4)CC2)cs1 512803161 RXOVUKQZIDWULU-UHFFFAOYSA-N 417.560 3.099 0 40 HGAB Cc1nn(CCNS(=O)(=O)CCOc2ccccc2)c(C)c1-c1cccs1 575613055 UGBVOWVMCCLANE-UHFFFAOYSA-N 405.545 3.227 0 40 HGAB Cc1noc(C)c1CN1CCC[C@@]2(CCCN2C(=O)CNC(=O)c2ccccc2)CC1 585100470 KZGANLZVVDFTFF-XMMPIXPASA-N 424.545 3.069 0 40 HGAB Cc1cccnc1Nc1cc(CC2CCN(C(=O)/C=C/c3ccnn3C)CC2)ncn1 585291915 GZZRJROSFOYJPF-AATRIKPKSA-N 417.517 3.152 0 40 HGAB CC(C)(C)c1ccc2nnc(C3CCN(C(=O)c4cnc5ccccc5n4)CC3)n2n1 585580971 FDJIHFCQKLNYKD-UHFFFAOYSA-N 415.501 3.385 0 40 HGAB CN1CC[C@H]2CC(=O)N(Cc3ccccc3)C[C@H](O)C(C)(C)COCCC[C@H]2C1 1534611625 BNGQLTDZVJPASC-FKBYEOEOSA-N 402.579 3.171 0 40 HGAB O[C@H]1CCN(Cc2ccc(F)c(F)c2)c2ccccc2OCCCCOC[C@H]1O 1615160546 JIHCUWNZWJQDEQ-LEWJYISDSA-N 407.457 3.273 0 40 HGAB COc1ccc(S(=O)(=O)N2CC(n3c(C(C)C)nc4ccccc43)C2)cc1OC 1888994471 CCXVBEQWQSWWFA-UHFFFAOYSA-N 415.515 3.423 0 40 HGAB COc1ccccc1OCC(=O)N1CC[C@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@@H]21 1889186353 FKQDCCAFTOUMAS-HOCLYGCPSA-N 421.419 3.225 0 40 HGAB COC(=O)C1=C(C)N=c2s/c(=C\c3cccc(Cl)c3)c(=O)n2[C@H]1c1ccccc1 634250 FDLQKBKMVAFPKY-GTVARFKMSA-N 424.909 3.062 0 40 HGAB O=C(CSc1ccc(-c2ccc3c(c2)OCCO3)nn1)NCCc1ccccc1 1332411 PKKCILKDJQAFDC-UHFFFAOYSA-N 407.495 3.366 0 40 HGAB COCCCn1c(N)c(S(=O)(=O)c2cccc(C)c2)c2nc3ccccc3nc21 2344569 NGSKIKBOCJGYQZ-UHFFFAOYSA-N 410.499 3.344 0 40 HGAB CCOc1ccc2ccccc2c1[C@H]1NC(=S)NC(C)=C1C(=O)OCCOC 2683808 ZEPYIVVRWJEUJR-IBGZPJMESA-N 400.500 3.221 0 40 HGAB Cc1c(NC(=O)[C@H](C)OC(=O)/C=C/c2ccccc2)c(=O)n(-c2ccccc2)n1C 3261843 MGUJAMWZKRKTGF-ZWKQNVPVSA-N 405.454 3.068 0 40 HGAB CCS(=O)(=O)c1ccc2oc(SCC(=O)N3CCc4ccccc4C3)nc2c1 3264543 YKQMEQALKGBLJR-UHFFFAOYSA-N 416.524 3.298 0 40 HGAB COc1cc(CC(=O)OCC(=O)c2ccc(Br)cc2)cc(OC)c1OC 3275314 FZRQJSPZJOHBGI-UHFFFAOYSA-N 423.259 3.444 0 40 HGAB C[C@]1(C(=O)OCc2cc(=O)n3cc(Br)ccc3n2)CC1(Cl)Cl 3283878 AINAFLGAXJXZDM-CYBMUJFWSA-N 406.063 3.084 0 40 HGAB O=C(Nc1nnc(C2CC2)s1)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O 3428226 VLJLAPNGLDWWCW-UHFFFAOYSA-N 411.464 3.045 0 40 HGAB C/C(NCc1ccccc1)=C1/C(=O)NC(=O)N(c2ccccc2C(F)(F)F)C1=O 3771558 KYWOBPVSCXGMIS-FOWTUZBSSA-N 403.360 3.352 0 40 HGAB Cc1ccc([S@@](=O)OCC(=O)Nc2cc(Cl)ccc2N2CCOCC2)cc1 4054132 NHWFAQWYZKABND-HHHXNRCGSA-N 408.907 3.163 0 40 HGAB Cc1cccc2cc(CN(CCN(C)C)C(=S)NCCc3ccccc3)c(=O)[nH]c12 4133476 IKTOYUWMRWLDCO-UHFFFAOYSA-N 422.598 3.317 0 40 HGAB COc1ncc(NC(=O)CCC(=O)O[C@H](C)C(Cl)=C(Cl)Cl)c(OC)n1 4491649 CQONLQLBQYMUQC-SSDOTTSWSA-N 412.657 3.030 0 40 HGAB CCn1c(CC(=O)Nc2ccc(C)c(C)c2)nnc1SCC(=O)NC1CCCC1 4736006 AWVVWSWFOLPQSQ-UHFFFAOYSA-N 415.563 3.247 0 40 HGAB O=C(c1cccc2c1C(=O)N(Cc1ccncc1)C2)N1CCN(c2ccccc2)CC1 5484625 HCVNDEQDZFZXPT-UHFFFAOYSA-N 412.493 3.200 0 40 HGAB Cc1cc(O)c(C(=O)[C@@H](C)SC(=S)N2CCOCC2)cc1Br 5538699 WINHYHLEOSPUHS-SNVBAGLBSA-N 404.351 3.385 0 40 HGAB CCN(CC)c1ccc(/C=C(\C#N)C(=O)NCc2ccc3c(c2)OCO3)c(OC)c1 5867030 FTTIHMYBDPYIPU-WOJGMQOQSA-N 407.470 3.493 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccccc3OC)C2)cc1C 6425248 AYFPAKYOPFYUDK-INIZCTEOSA-N 418.515 3.052 0 40 HGAB CC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=O)N(Cc4ccco4)C3=O)o2)cc1 6563206 MEWOWHKVFUSERM-WOJGMQOQSA-N 404.378 3.404 0 40 HGAB COC(=O)c1ccc(NC(=O)CSCc2nc3sc(C)c(C)c3c(=O)[nH]2)cc1 6618862 PWWUQDAXHZRJKZ-UHFFFAOYSA-N 417.512 3.260 0 40 HGAB CCOC(=O)c1c(C)nn(-c2ncnc3c2c(C)c(C)n3Cc2ccccc2)c1N 6758871 VKKCZHGMFUXXDH-UHFFFAOYSA-N 404.474 3.349 0 40 HGAB O=C(Nc1nc2ccccc2s1)[C@H]1CCCCN1S(=O)(=O)c1ccccc1 7767840 CKCYRZUCEUUHGF-MRXNPFEDSA-N 401.513 3.478 0 40 HGAB CCc1ccc([C@@H](NCC(=O)Nc2ccc(C)c(S(=O)(=O)NC)c2)C(C)C)cc1 7873031 UYBGEQQKMOLXFE-QFIPXVFZSA-N 417.575 3.391 0 40 HGAB CCOc1ccc(CCNC(=O)COC(=O)c2ccc(Cl)c(N)c2)cc1OCC 7979054 KSUZJRGYJAFTID-UHFFFAOYSA-N 420.893 3.235 0 40 HGAB COc1cccc([C@@]2(C)NC(=O)N(NC(=O)c3cc4c(s3)CCCCC4)C2=O)c1 8156806 UWXODRGZBUYWDG-OAQYLSRUSA-N 413.499 3.138 0 40 HGAB Cc1nc2cc(NC(=O)CCc3ccc(S(=O)(=O)N4CCCC4)cc3)ccc2o1 8369430 SGJACCAMGCCJDJ-UHFFFAOYSA-N 413.499 3.492 0 40 HGAB COc1ccc(C(=O)N(Cc2cc3ccccc3[nH]c2=O)C[C@H]2CCCO2)cc1OC 9237214 YRFFWCAIZLHTGM-LJQANCHMSA-N 422.481 3.367 0 40 HGAB COc1ccc(OC)c(NC(=O)COc2ncnc3ccc(Br)cc23)c1 9980736 PUNUMPVQCLWYJV-UHFFFAOYSA-N 418.247 3.427 0 40 HGAB O=C(CSc1nnnn1C[C@@H]1CCCO1)N(Cc1ccccc1)c1ccccc1 11576735 LPRLCYPQUGWUCP-IBGZPJMESA-N 409.515 3.178 0 40 HGAB O=C(COc1ccc2c3c(c(=O)oc2c1)CCC3)Nc1ccccc1C(=O)NC1CC1 12699124 UCGNZSGOIPUZKB-UHFFFAOYSA-N 418.449 3.191 0 40 HGAB COc1cc2nc(-c3ccccc3)nc(N3CCN(C(=O)C4CC4)CC3)c2cc1OC 12798801 NZXULZVRSYOGLD-UHFFFAOYSA-N 418.497 3.373 0 40 HGAB C[C@]1(c2cccc(Br)c2)NC(=O)N(Cc2nc(-c3ccco3)no2)C1=O 12809479 OAYMFJHWCROFGY-QGZVFWFLSA-N 417.219 3.059 0 40 HGAB Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)NCCc3cccs3)CC2)c(C)c1 12905853 CZMIUCPDNLIUAG-UHFFFAOYSA-N 420.600 3.433 0 40 HGAB CCC[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)Nc1ccc(OC)c(OC)c1 12982727 IYBFTHLONNIFBQ-QGZVFWFLSA-N 403.454 3.450 0 40 HGAB Cc1ccc(NC(=O)Cn2c(=O)n(Cc3ccc(F)cc3)c(=O)c3sccc32)cc1 13533302 VBLWFRINAWJFLU-UHFFFAOYSA-N 423.469 3.359 0 40 HGAB COc1cccc(CN(CCCN2CCOCC2)C(=O)Nc2ccccc2)c1OC 13728311 GRUOIINICKGGJW-UHFFFAOYSA-N 413.518 3.460 0 40 HGAB O=C(NCc1ccco1)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1 13856372 NYVGNWZJTLKJPN-OAHLLOKOSA-N 421.428 3.340 0 40 HGAB COc1ccc(C(=O)Nc2nnc([C@@H]3CC(=O)N(c4ccccc4)C3)s2)cc1OC 13944293 SFBMQSVTGSZRNF-CQSZACIVSA-N 424.482 3.328 0 40 HGAB COC(=O)c1cc(NC(=O)COc2ccc(Cl)cc2C)ccc1N1CCOCC1 13945874 SIGNTQBYRGNMRL-UHFFFAOYSA-N 418.877 3.289 0 40 HGAB C[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1cccc(C(=O)NC2CC2)c1 14115977 URDUWCQAQKQGKC-ZJRYTYELSA-N 409.530 3.238 0 40 HGAB CCN(CC)C(=O)CN(C)CC(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1 14118643 FNNCLNRKLDGOIM-JOCHJYFZSA-N 401.938 3.346 0 40 HGAB O=C(CN1C(=O)c2ccccc2C1=O)Nc1c(C(=O)c2ccco2)oc2ccccc12 14863277 GDHUDYZKLQKZEM-UHFFFAOYSA-N 414.373 3.492 0 40 HGAB COc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NCc3cccnc3)c2)cc1 15940667 DAECKYHNZRZVOG-UHFFFAOYSA-N 411.483 3.129 0 40 HGAB Cc1ccc(OCc2nc(C(=O)OCCN3C(=O)c4ccccc4C3=O)cs2)cc1 16159243 GPHDVVWXYIVTTR-UHFFFAOYSA-N 422.462 3.484 0 40 HGAB COc1ccc(-c2noc(CSc3n[nH]c(=O)c4cc(-c5ccco5)nn34)n2)cc1 16844173 NEJDNYUTJYLNLJ-UHFFFAOYSA-N 422.426 3.029 0 40 HGAB CCN1CCN(c2ccc(NC(=S)NC(=O)COc3ccccc3C)cc2)CC1 17089351 GJHOJRLAHOCNSD-UHFFFAOYSA-N 412.559 3.029 0 40 HGAB O=C1NC2(CCN(Cc3ccc(Cl)cc3)CC2)C(=O)N1CCOc1ccccc1 17190878 GULRMOXARWXHCB-UHFFFAOYSA-N 413.905 3.305 0 40 HGAB CCCS(=O)(=O)N1CCCc2cc(NC(=O)COc3ccc(OC)cc3)ccc21 17286730 BFQMIFDOYZJVIR-UHFFFAOYSA-N 418.515 3.205 0 40 HGAB O=C(CN1CCCCCC1)N[C@H](Cc1cc(=O)[nH]c(C2CCC2)n1)c1ccccc1 19369319 VJONDQWVBAOWEK-OAQYLSRUSA-N 408.546 3.313 0 40 HGAB CNC(=O)c1ccc(-c2cc(C)nc([C@H]3CCCN3Cc3cn(C)nc3C)c2)cn1 19691059 SYMBLVZXJXJCIS-JOCHJYFZSA-N 404.518 3.191 0 40 HGAB Cc1ccc2c(NC(=O)COc3ccc(-n4nc(C)cc4C)nn3)c(C)ccc2n1 19717608 DCZWVFJAVZPRGI-UHFFFAOYSA-N 402.458 3.462 0 40 HGAB Cc1ccc([C@@H](C)NC(=O)C2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1 19932158 SWHHRVHBRLRQME-GOSISDBHSA-N 400.544 3.414 0 40 HGAB Cc1cc(OCC(=O)Nc2ccc(CN3CCOCC3)cc2)c2c(C)cc(=O)oc2c1 20573481 KNRNNLLCLPZDIZ-UHFFFAOYSA-N 422.481 3.260 0 40 HGAB CC[C@@H](C)[C@H](NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(F)c(F)c1F)C(=O)OC 20744651 NAJNDDFNMZKUJN-AJPKGMEUSA-N 424.423 3.072 0 40 HGAB COc1cc2c(cc1OC)C(=O)[C@H]([C@H]1c3c(cc4c(c3OC)OCO4)CCN1C)C2 20759376 RJQXXRSHMDJYGT-YWZLYKJASA-N 411.454 3.025 0 40 HGAB biogenic C[C@H](c1nnc(-c2ccccc2)o1)N1CCN(CC(=O)Nc2cccc(F)c2)CC1 22933835 ZZVCLZIDXJZDCP-MRXNPFEDSA-N 409.465 3.193 0 40 HGAB CCOc1ncccc1CNC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCCC3 31324538 XGTFKHLYXMPRTB-UHFFFAOYSA-N 406.486 3.237 0 40 HGAB COc1ccccc1N1C(SCc2ccc(C)cc2)=N[C@H]2CS(=O)(=O)C[C@@H]21 32640734 SJNCFVDGZCMJIW-WMZOPIPTSA-N 402.541 3.279 0 40 HGAB COC(=O)c1ccc(OC[C@H](O)CN(C)Cc2ccccc2N2CCCCC2)cc1 32843150 GJAWODLPEKHSDA-OAQYLSRUSA-N 412.530 3.335 0 40 HGAB Fc1ccccc1CN1CCC[C@H]1c1nc(-c2ccc(N3CCOCC3)nc2)no1 35425276 CURKTWFDWXGVDX-IBGZPJMESA-N 409.465 3.444 0 40 HGAB biogenic,in-vitro O=C(NCCNC(=O)c1ccc(NC(=O)C2CC2)cc1)Nc1ccc(Cl)cc1 35595036 XEHOUOROZQMRRU-UHFFFAOYSA-N 400.866 3.240 0 40 HGAB COc1ccc(-c2nnsc2C(=O)N2CCN(c3ccccc3OC)CC2)cc1 36365433 NCDQYNWPPBOKFH-UHFFFAOYSA-N 410.499 3.185 0 40 HGAB O=C(Nc1ccc(-n2cccn2)c(F)c1)[C@@H]1CCCN(C(=O)Cc2ccccc2)C1 40151705 UNIWYKRKTLDASP-GOSISDBHSA-N 406.461 3.431 0 40 HGAB O=C(NCCCc1ccc(F)cc1)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 44845462 BXFLOYIGBOYQOT-UHFFFAOYSA-N 418.534 3.117 0 40 HGAB Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)Nc3ccc(-n4cccn4)nc3)C2)c1 44970022 SSPSMXHAFPVYIN-GOSISDBHSA-N 403.486 3.375 0 40 HGAB C[C@H]1CC[C@H](C(N)=O)CN1C(=O)c1ccc(Oc2cccc(Br)c2)nc1 56017599 AYIFATCALIGPHS-JSGCOSHPSA-N 418.291 3.362 0 40 HGAB CC(C)c1ccc(N2C(=O)CN(C3CCCCCC3)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 63389188 OLHOSTGLYPRTOV-RTWAWAEBSA-N 404.576 3.347 0 40 HGAB CCOC(=O)c1ccc(NC(=O)c2cc3c([nH]c2=O)C[C@H](c2ccco2)CC3=O)cc1 64959243 HSABFMCHMBXDLW-AWEZNQCLSA-N 420.421 3.310 0 40 HGAB O=C(CCOc1ccccc1)N1CCC[C@H](C(=O)N2CCC[C@H]2c2ccncc2)C1 71820837 UNNQQXGVGPWLLG-UNMCSNQZSA-N 407.514 3.453 0 40 HGAB O=C(NCc1cccc(OCc2ccccn2)c1)C1CCN(C(=O)N2CCCC2)CC1 71851685 NHLNUNGOFUGBPL-UHFFFAOYSA-N 422.529 3.205 0 40 HGAB Cc1c(C(=O)NC(C)C)nnn1-c1cccc2c1CCN(Cc1cccc(F)c1)C2 71889486 FLOCFINSWRPYSX-UHFFFAOYSA-N 407.493 3.411 0 40 HGAB O=C(NCCn1nc2c(cc1=O)CCCCC2)C(c1ccccc1)c1ccccc1 72343175 QZTBGOGMAPHOEB-UHFFFAOYSA-N 401.510 3.461 0 40 HGAB Cc1cc(-c2cnc(N3CCN(C)CC3)nc2[C@H]2CCCN(Cc3ccco3)C2)on1 72348045 IBONBLTUBXLEGU-SFHVURJKSA-N 422.533 3.164 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2cncc(Nc3ncccn3)n2)cc1C 72376381 SQGBABQSKSEQQS-GOSISDBHSA-N 410.503 3.153 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCC[C@H](c3ccnc(Nc4cnccn4)n3)C2)cc1C 72379947 DIOCAAKEWOKBOC-KRWDZBQOSA-N 424.530 3.195 0 40 HGAB CO[C@@H](C)c1noc(CCC(=O)Nc2cc(F)ccc2Sc2nccn2C)n1 79015650 QEFGRYFMNUIRCC-NSHDSACASA-N 405.455 3.372 0 40 HGAB O=C(C[S@](=O)Cc1cc(Cl)c2c(c1)OCCCO2)N1CCc2ccccc21 84582029 AEOOQXSQJRDMNJ-MHZLTWQESA-N 405.903 3.339 0 40 HGAB COCc1n[nH]c(-c2cccc(NC(=O)c3cc4cc(OC)c(OC)cc4n3C)c2)n1 96117652 MQJIBHBCLSGNDY-UHFFFAOYSA-N 421.457 3.379 0 40 HGAB COc1ccc(CN(C)[C@H](C)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1F 97165332 UYRPIEQFMVTQOZ-MRXNPFEDSA-N 422.522 3.048 0 40 HGAB CC[C@H]1CCCCN1c1nc(=O)c2c([nH]1)NC(=O)C[C@H]2C(=O)Nc1cc(C)cc(C)c1 139117826 LCRJBCJETRQKHI-DLBZAZTESA-N 423.517 3.220 0 40 HGAB Cc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)cc1 219012966 CIBGZZTURFEBHP-IBGZPJMESA-N 416.543 3.343 0 40 HGAB COc1ccc(NC(=O)CCCN(c2ccccc2F)S(C)(=O)=O)c(OC)c1 222651035 NWISXXBYFOGXSQ-UHFFFAOYSA-N 410.467 3.028 0 40 HGAB CCS(=O)(=O)Nc1ccc(C(=O)Nc2nnc(SCC(C)C)s2)cc1 222782935 LBUBAGAMRINKNY-UHFFFAOYSA-N 400.551 3.300 0 40 HGAB Cc1c(C(=O)Nc2nnc(SCC(C)C)s2)cccc1N(C)S(C)(=O)=O 224658594 IQZDTCRKAPWLNS-UHFFFAOYSA-N 414.578 3.243 0 40 HGAB Cc1ccc2[nH]cc(CCN3C(=O)[C@H](C(N)=O)[C@H]4C[C@@]3(C)Oc3ccccc34)c2c1 524731893 NYRCJXIASOQEEL-NSXLHWASSA-N 403.482 3.245 0 40 HGAB biogenic COc1cc2c(cc1OC)[C@@H](NC(=O)[C@@H](C(C)C)N1Cc3ccccc3C1=O)CC2 524733635 ZQQDRAMTPANWDV-SIKLNZKXSA-N 408.498 3.488 0 40 HGAB COc1cc2c(N3CCC[C@@H]4[C@@H](NC(=O)C(F)F)C(C)(C)[C@@H]43)ncnc2cc1F 585137901 ZJAJDTJEDNYDRU-UHNFBRDESA-N 408.424 3.152 0 40 HGAB COC(=O)c1ccc(CC(=O)Nc2cc(C(=O)NCC(F)(F)F)ccc2C)cc1 1525479856 QKPJJOVKQMAVHC-UHFFFAOYSA-N 408.376 3.255 0 40 HGAB Cc1ccc2ncc(CN3CCC4(CC3)CC(NC(=O)CC3CCOCC3)C4)n2c1 2056225677 XWDVRNJVUMISHU-UHFFFAOYSA-N 410.562 3.320 0 40 HGAB CCn1cc(CNC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](c2ccco2)N3)cn1 919678 JDVZBKZKNBQURD-SWLSCSKDSA-N 408.384 3.283 0 40 HGAB CN(C)S(=O)(=O)Oc1ccsc1C(=O)Nc1ccc(OC(F)(F)F)cc1 3125280 OCDJRIIDIRPGTB-UHFFFAOYSA-N 410.395 3.084 0 40 HGAB CCOC(=O)c1[nH]c(COC(=O)[C@@]2(C)CC2(Cl)Cl)c(C(=O)OCC)c1C 3247304 IDNWBIGHNIQADG-MRXNPFEDSA-N 406.262 3.304 0 40 HGAB Cc1ccc(-c2nnc(SCc3nc4ccc(Cl)cc4n3CCO)n2N)cc1 3429620 FEKQULJQAZTAKC-UHFFFAOYSA-N 414.922 3.255 0 40 HGAB COC[C@@H](C)n1c(SCC(=O)Nc2cccnc2Cl)nc2ccccc2c1=O 3590399 ANCFFHXKEQCIJR-GFCCVEGCSA-N 418.906 3.383 0 40 HGAB CCOc1ccc(NC(=O)CSc2nc3c(c(=O)n2CC)S[C@H](C)C3)cc1 4107869 YLKFAARGXJLBOR-GFCCVEGCSA-N 405.545 3.429 0 40 HGAB COc1ccc(-c2noc(CN(C(C)C)S(=O)(=O)c3ccc(OC)cc3)n2)cc1 4487175 HDKUKGHEVKPEAC-UHFFFAOYSA-N 417.487 3.353 0 40 HGAB CCOC(=O)Cc1csc(NC(=O)CSc2ncc(-c3ccccc3)[nH]2)n1 4850406 LDLMVRXWQOLNHQ-UHFFFAOYSA-N 402.501 3.370 0 40 HGAB COC(=O)NC(=O)c1c(NC(=O)c2cc3ccccc3oc2=O)sc(C)c1C 5145045 HUJCQXJRDNYOQI-UHFFFAOYSA-N 400.412 3.220 0 40 HGAB Cc1ccc(C)c(Cn2nnc3c(O)nc(C4CCN(C(=O)CC(C)C)CC4)nc32)c1 5737860 CQQNJUYGTCNSDJ-UHFFFAOYSA-N 422.533 3.344 0 40 HGAB CCC[C@@H](C)NC(=O)CN(c1ccc(OC)cc1OC)S(=O)(=O)c1ccccc1 6324808 RECZBLYQZQPRQM-MRXNPFEDSA-N 420.531 3.204 0 40 HGAB CCc1ccccc1NC(=O)[C@H](C)NS(=O)(=O)c1ccc(Br)cc1 6451184 YVGCDSBLTWEDOZ-LBPRGKRZSA-N 411.321 3.317 0 40 HGAB CC(C)(C)c1ccc(S(=O)(=O)N2CCC(C(=O)O[C@H]3CCCCC3=O)CC2)cc1 6583154 UHMMELWLXAALKH-FQEVSTJZSA-N 421.559 3.440 0 40 HGAB COC(=O)COc1cc(Br)c(C(=S)N2CCC(C)CC2)cc1OC 6655129 KIBUVNYYPPPEHB-UHFFFAOYSA-N 416.337 3.417 0 40 HGAB Cc1cc(Br)ccc1NC(=O)CN1C(=O)N[C@](C)(CCC(C)C)C1=O 6851347 WIIDBHSXGDCZAR-GOSISDBHSA-N 410.312 3.443 0 40 HGAB CSc1ccccc1NC(=O)COC(=O)CN1C(=O)CSc2ccccc21 7576427 DTHISDNXYCNBCZ-UHFFFAOYSA-N 402.497 3.029 0 40 HGAB Cc1cc(SCC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)nc2ccccc12 8131897 GRDAASCBDWXBLV-UHFFFAOYSA-N 412.515 3.167 0 40 HGAB COc1ccccc1CNC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccccc1 8169160 NXEYXHUQGJZKHH-UHFFFAOYSA-N 416.543 3.335 0 40 HGAB CCN(CC(=O)NCc1ccc(F)cc1)C(=O)CSc1ncnc2ccccc12 8188896 PBSSSMKLXSFUPC-UHFFFAOYSA-N 412.490 3.026 0 40 HGAB Cc1ccc(NC(=O)CN2C(=O)N[C@](C)(c3ccc4ccccc4c3)C2=O)c(O)c1 8378547 OLXZVLAMTGDOJI-HSZRJFAPSA-N 403.438 3.260 0 40 HGAB O=C1NC2(CCCCC2)C(=O)N1CC(=O)N1c2ccccc2OC[C@H]1c1ccccc1 8394610 LHOGGWJWJHXXIH-IBGZPJMESA-N 419.481 3.408 0 40 HGAB Cc1cccc(N2C[C@@H](C)Cn3c2nc2c3c(=O)n(Cc3ccccc3)c(=O)n2C)c1 8652100 SNHITEWEBMZAPL-QGZVFWFLSA-N 415.497 3.041 0 40 HGAB O=C(Nc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1)c1ccc[nH]1 9220144 SUNVMIKILBJGQS-UHFFFAOYSA-N 413.455 3.229 0 40 HGAB Cc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1OCC(=O)N1CCCC1 9426719 NKSPZVZIBWFMSP-UHFFFAOYSA-N 408.907 3.450 0 40 HGAB Cc1cccc(Cn2c(=O)c3c(nc4oc(-c5ccc(F)cc5)cn43)n(C)c2=O)c1 9789682 MSHRKEQLBOIWPN-UHFFFAOYSA-N 404.401 3.104 0 40 HGAB COc1ccc(CCNC(=O)C2=NN(c3cc(C)ccc3C)C(=O)CC2)cc1OC 9833333 HLRJWTCHBXNMNJ-UHFFFAOYSA-N 409.486 3.162 0 40 HGAB COc1ccc(F)cc1S(=O)(=O)N1CCC(C(=O)NCCC2=CCCCC2)CC1 10302789 GPQYZAFXAHGYQA-UHFFFAOYSA-N 424.538 3.242 0 40 HGAB O=C(COc1ccc2c3c(c(=O)oc2c1)CCCC3)N1CC[C@]2(O)CCCC[C@H]2C1 11866944 QQIHCFGOCLDCLG-UPCLLVRISA-N 411.498 3.204 0 40 HGAB biogenic Cc1ccc2c(c1)C(=O)N([C@@H](C)C(=O)N1CCC(C)CC1)CC1(CCOCC1)O2 12086912 FQPLWRNTMPTDNS-SFHVURJKSA-N 400.519 3.026 0 40 HGAB CCn1nc(CC(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)c2ccccc2c1=O 12116083 RSSNBDQQQRAGDA-HXUWFJFHSA-N 401.470 3.199 0 40 HGAB COc1ccccc1[C@@]1(O)CCCN(CC(=O)c2ccc3c(c2)CCCN3C(C)=O)C1 12327853 RKRCFSOQIYRFBS-RUZDIDTESA-N 422.525 3.161 0 40 HGAB COc1ccc(C(=O)Nc2cccc([C@@H]3NC(N)=Nc4nc5ccccc5n43)c2)cc1 12520457 XKKRWWRAHXXAMU-HXUWFJFHSA-N 412.453 3.394 0 40 HGAB COc1ccc(Cl)cc1NC(=O)CN1CCC(C(=O)NCc2ccccc2)CC1 12806846 ZCUSMNOPIYAWKL-UHFFFAOYSA-N 415.921 3.316 0 40 HGAB C[C@H](OCCCNC(=O)c1ccc(N2CCCS2(=O)=O)cc1)c1ccccc1 12923085 IRQDVBSGXULNRJ-KRWDZBQOSA-N 402.516 3.124 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc4cc(C)ccc4nc3C)CC2)cc1 12988832 KEVQJEDDSYKYLF-UHFFFAOYSA-N 423.538 3.307 0 40 HGAB COc1ccc(CCN2C[C@H](C(=O)Nc3cc(F)ccc3F)CC2=O)cc1OC 13004008 WOEBWIYJLBPXCQ-CQSZACIVSA-N 404.413 3.012 0 40 HGAB COc1ccc(C(=O)Nc2cccc(OCc3cc(=O)n4nc(C)sc4n3)c2)cc1 13367885 KAFMPQULRVGPFI-UHFFFAOYSA-N 422.466 3.299 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(F)c(F)c3F)CC2)cc1 15001532 RIDMBWZZVVXLAY-UHFFFAOYSA-N 412.433 3.452 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=S)NN2[C@@H](C)CCC[C@@H]2C)c1 16190894 SFRDHQRTQLFHLV-HOTGVXAUSA-N 412.625 3.490 0 40 HGAB NC(=O)c1c(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)sc2c1CCc1ccccc1-2 17088530 PRHHEYSSZNRQCJ-KOZAUXTDSA-N 410.495 3.298 0 40 HGAB COc1ccc(C2=NO[C@@](C)(C(=O)N[C@@H](c3ccc(F)cc3)c3nccn3C)C2)cc1 19460849 QCTPUKWTISZPHF-NZQKXSOJSA-N 422.460 3.357 0 40 HGAB CCC(=O)N1CCCc2cc([C@H](O)CN3CCN(c4cccc(OC)c4)CC3)ccc21 19498894 QEOPLKMSMHKHKE-XMMPIXPASA-N 423.557 3.240 0 40 HGAB CCOc1cc(CN2CC[C@@H](c3nc(-c4cccnc4)cc(=O)[nH]3)C2)ccc1OC 19531922 JXUYLRWETJXQMT-GOSISDBHSA-N 406.486 3.229 0 40 HGAB COc1ccc2c(c1)[C@H](CCNC(=O)C1(c3cccc(F)c3)CCOCC1)C(=O)N2 19662190 LAZYHHUJDOXMPH-SFHVURJKSA-N 412.461 3.125 0 40 HGAB COCCc1ncc(CN2CCC(c3cc(-c4ccc(N)nc4)cc(C)n3)CC2)cn1 19692142 FIYGJGFHFXJBHR-UHFFFAOYSA-N 418.545 3.393 0 40 HGAB Cc1ncc(C(=O)NCc2cnn(-c3ccccc3)c2[C@H]2CCN(C(C)C)C2)c(C)n1 19707997 FXDGCMUFALLSAX-IBGZPJMESA-N 418.545 3.407 0 40 HGAB CC(C)[C@@H](Nc1ccc(C(F)(F)F)cn1)C(=O)NCc1nnc2n1CCCCC2 19716092 JSEAMASVEIZWRA-QGZVFWFLSA-N 410.444 3.171 0 40 HGAB COc1cccc([C@@H]2CCCN2C(=O)COc2ccc(-n3nc(C)cc3C)nn2)c1 19718875 MIFAIAJEXRSURT-IBGZPJMESA-N 407.474 3.030 0 40 HGAB Cc1ccc(C)c(NC(=O)Cn2c(=O)cc(C(=O)N3CCCC3)c3ccccc32)c1 20357186 FPHQTEKGZROSQE-UHFFFAOYSA-N 403.482 3.493 0 40 HGAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NC[C@H]3CCCO3)cc2Cl)cc1 20456463 YBIQXIFPQVDOOL-OAHLLOKOSA-N 408.907 3.358 0 40 HGAB COc1ccccc1CN(C)C(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl 20483830 BFDMTZHXXAZJQC-UHFFFAOYSA-N 422.934 3.405 0 40 HGAB O=C(NCCc1cc(Cl)c2c(c1)OCCO2)c1ccc(N2CCCC2=O)cc1 21043497 COQBHRVQFBMXTE-UHFFFAOYSA-N 400.862 3.211 0 40 HGAB Cc1cccc(-n2c(S[C@H](C)C(=O)NC[C@H]3CCCO3)nc3ccccc3c2=O)c1 21451604 LUHGZGFTGZLWTK-SJLPKXTDSA-N 423.538 3.470 0 40 HGAB COC(=O)c1c(C)[nH]c(C(=O)OCc2nnc(-c3ccc(Br)o3)o2)c1C 22203589 NJXWOBGMCCJCTQ-UHFFFAOYSA-N 424.207 3.181 0 40 HGAB CCN(c1cc(OC)c(OC)cc1C(=O)Nc1ccc(F)c(F)c1)S(C)(=O)=O 22252437 OLKWVQNTGASBHW-UHFFFAOYSA-N 414.430 3.020 0 40 HGAB CCS(=O)(=O)N(C)c1cc(OC)c(OC)cc1C(=O)Nc1ccc(F)c(F)c1 22253183 ZDGHEQOKNWWYAT-UHFFFAOYSA-N 414.430 3.020 0 40 HGAB COc1ccc(S(=O)(=O)N(CC(=O)N(C)C2CCCC2)c2ccc(F)cc2)cc1 22522952 JGICPIVCDCVUGM-UHFFFAOYSA-N 420.506 3.431 0 40 HGAB COc1ccc(-n2cnn(CN3CCN(Cc4ccccc4C)CC3)c2=S)cc1 22926605 IJLGZFZONZHLGW-UHFFFAOYSA-N 409.559 3.496 0 40 HGAB COc1ccc(NC(=O)CCn2cnc3c([nH]c4ccc(C)cc43)c2=O)c(OC)c1 23125591 MCXJASJRDXUXTH-UHFFFAOYSA-N 406.442 3.232 0 40 HGAB COc1ccc([C@H](CNC(=O)COc2ccc(F)cc2Cl)N2CCOCC2)cc1 23763022 CTBHDHVMLKZJBY-IBGZPJMESA-N 422.884 3.056 0 40 HGAB CN(C)S(=O)(=O)c1cc(C(=O)OCc2ccccc2F)ccc1Br 25101596 TWPQGPICMNHKOY-UHFFFAOYSA-N 416.268 3.196 0 40 HGAB CC(C)[C@@H](NC(=O)c1ccco1)C(=O)NC[C@@H](C(C)C)N1CCc2ccccc2C1 25536115 DFSVNQGRLZNUQZ-RBBKRZOGSA-N 411.546 3.233 0 40 HGAB COc1ccc([C@@H]2CCCN2C(=O)CN(c2ccccc2C)S(C)(=O)=O)cc1 28314469 YESAIDUOKGXTFZ-FQEVSTJZSA-N 402.516 3.133 0 40 HGAB Cc1cc(N2CCN(CC(=O)N(C)[C@@H](C)c3ccc(F)cc3)CC2)nc(C(C)C)n1 29632533 FCJZYWZBZCGPNP-SFHVURJKSA-N 413.541 3.389 0 40 HGAB O[C@@H](COCc1ccc(Cl)cc1)Cn1nnc(-c2ccc(Br)cc2)n1 31561358 ZROAGVNEWHHHOJ-MRXNPFEDSA-N 423.698 3.334 0 40 HGAB C[C@H](NC(=O)CCC(=O)c1ccc2c(c1)OCCO2)c1ccc2c(c1)OCCCO2 32280932 PVAXXRCEDPHECT-HNNXBMFYSA-N 411.454 3.459 0 40 HGAB Cc1cc(Br)ccc1NC(=O)CS(=O)(=O)Cc1ccccc1F 32796793 QTNXUUPEIOTFAD-UHFFFAOYSA-N 400.269 3.450 0 40 HGAB Cc1ccc(NC(=O)CSc2nnc(-c3ccc4c(c3)OCCO4)c(O)n2)c(C)c1 32836345 JIFYMJDPFWHOSR-UHFFFAOYSA-N 424.482 3.363 0 40 HGAB Cc1ccc(S(=O)(=O)N[C@H](C)CCN2CCN(c3ccccc3)CC2)c(C)c1 32916442 AEZVDLMPPGONLY-HXUWFJFHSA-N 401.576 3.183 0 40 HGAB COc1ccc(C)cc1S(=O)(=O)NCCCCN1CCO[C@H](c2ccccc2)C1 36700392 RXEABGHFTSDILF-NRFANRHFSA-N 418.559 3.136 0 40 HGAB C[C@@H]1C[C@H](C(N)=O)c2ccccc2N1C(=O)c1ccccc1I 40069771 MPJACOWFFIYZHX-RISCZKNCSA-N 420.250 3.299 0 40 HGAB C[C@@H]1CCCC[C@H]1NC(=O)CN1C(=O)N[C@](C)(c2cccc(C(F)(F)F)c2)C1=O 40116774 GSJSJSWUMWTNQY-KPAZRMRSSA-N 411.424 3.167 0 40 HGAB COc1cccc(-c2ccc(=O)n(CCCC(=O)Nc3cccc4nsnc34)n2)c1 49342696 ULYMYTITCIETSM-UHFFFAOYSA-N 421.482 3.343 0 40 HGAB O=C(c1cccnc1)N1CC[C@H](c2c(C(=O)N3CCOCC3)sc3ccccc23)C1 72356074 WJQAGLLMHISSQC-KRWDZBQOSA-N 421.522 3.398 0 40 HGAB COc1ccc(CN2CCC3(CC2)CN(C(C)=O)Cc2cc(C)ccc2O3)cc1CO 72394406 PDYQSBNPHUYVHO-UHFFFAOYSA-N 424.541 3.272 0 40 HGAB COc1ccc2c(ccn2CCNC(=O)C2CCN(c3nc(C)cc(C)n3)CC2)c1 79485609 HYNQKYJQXXZNEF-UHFFFAOYSA-N 407.518 3.090 0 40 HGAB CC(C)N(C)S(=O)(=O)c1cccc(C(=O)NCCC2Cc3ccccc3C2)c1 89869483 VCYFHLBBTBXYGJ-UHFFFAOYSA-N 400.544 3.250 0 40 HGAB Cc1ccc(N2C(=O)/C(=C\c3ccc4c(c3)OCO4)N=C2S[C@@H](C)C(N)=O)cc1 97653182 GCZRKBOEMWVXNW-WFSQQTBHSA-N 409.467 3.074 0 40 HGAB CO[C@H]1CC[C@H](C(=O)N2CCC(c3nc(O)cc(-c4nccs4)n3)CC2)CC1 100744576 BEMPAYMPSCHDEI-GASCZTMLSA-N 402.520 3.217 0 40 HGAB COc1ccc(Cn2c(=O)[nH]c3ccccc3/c2=N\C(=O)NCc2ccccc2)cc1 101113907 XGLCKXVUGNPOBU-HPNDGRJYSA-N 414.465 3.197 0 40 HGAB COc1ccc(Cl)cc1NC(=O)CN(c1cccc(SC)c1)S(C)(=O)=O 220063393 HBCCDRHLVKYIGG-UHFFFAOYSA-N 414.936 3.475 0 40 HGAB COc1ccc(N([C@H](C)C(=O)NC2CCCCCCC2)S(C)(=O)=O)cc1OC 220237399 ZEFHFLHXDIVLQK-OAHLLOKOSA-N 412.552 3.087 0 40 HGAB CCOc1cccc(CNC(=O)[C@@H](C)N(c2ccc(CC)cc2)S(C)(=O)=O)c1 220287068 USQIKMHDZBZDAS-MRXNPFEDSA-N 404.532 3.119 0 40 HGAB CC[C@H](C(=O)Nc1cc(C)ccc1OC)N(c1cccc(OC)c1)S(C)(=O)=O 220616907 TZNAMOQSYDBQBT-GOSISDBHSA-N 406.504 3.196 0 40 HGAB O=C(CCc1ccc2c(c1)OCCO2)Nc1ccccc1C(=O)NCc1cccnc1 222640931 AYXVQVDDEKVHEA-UHFFFAOYSA-N 417.465 3.354 0 40 HGAB COC(=O)c1cc(S(=O)(=O)N[C@H]2CC(C)(C)Oc3ccc(OC)cc32)ccc1C 224620157 LHYISXPLJTUNEO-SFHVURJKSA-N 419.499 3.371 0 40 HGAB COC(=O)c1ccc(OC)c(S(=O)(=O)NCc2ccnc(-c3ccsc3)c2)c1 225758526 WISANWFPBHHHDM-UHFFFAOYSA-N 418.496 3.084 0 40 HGAB COc1cccc(Cc2cncc(C(=O)N3CCC[C@]4(C)NC(=O)CCC[C@H]34)c2)c1 257234879 GVLKRIPZCXUIOQ-URXFXBBRSA-N 407.514 3.344 0 40 HGAB Cc1ccccc1OCCC(=O)N1CCO[C@@H](c2cccc(-c3ccc(N)nc3)n2)C1 257305173 SOSJNJRANIHWCK-JOCHJYFZSA-N 418.497 3.403 0 40 HGAB Cc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2ccc(N(C)S(C)(=O)=O)cc2)c(C)c1 260764560 KALJPAKGUZGYFO-SJORKVTESA-N 404.532 3.344 0 40 HGAB CC(C)NC(=O)NC[C@@H]1N(C(=O)c2cccc(Cl)c2)CCCC12CCN(C)CC2 306128258 GVMPQGUMMBJRBK-IBGZPJMESA-N 420.985 3.364 0 40 HGAB Cc1ncsc1C(=O)N[C@@H]1CCCC[C@]12CN(Cc1ccc(O)c(F)c1)CCO2 306142696 XGPAYDPXDQCLND-NQIIRXRSSA-N 419.522 3.240 0 40 HGAB Cn1cc(N2CCC[C@@H](NCc3ncc(-c4ccc(Br)cc4)[nH]3)C2)cn1 608061556 KPVVNVCDBGPZAN-MRXNPFEDSA-N 415.339 3.331 0 40 HGAB COc1cccc(N2CCN(C(=O)[C@@H]3CCCN3c3nc4ccccc4o3)CC2)c1 670425731 CXDGKUINMHJNSI-FQEVSTJZSA-N 406.486 3.154 0 40 HGAB Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@H]1CCc2nc(N(C)C)ncc2C1 675008092 YHWWLJCPOBQDCC-AWEZNQCLSA-N 411.893 3.447 0 40 HGAB O=C(N[C@@H]1COc2cc(F)cc(F)c21)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1 680307670 XIQTXMZMRJRLHV-CQSZACIVSA-N 413.829 3.174 0 40 HGAB Cc1ccc(CN2CCC3(CC2)OC(=O)N2CCN(Cc4ccccc4)C[C@@H]23)cn1 1549162374 PPNSHECXFBAGMN-JOCHJYFZSA-N 406.530 3.061 0 40 HGAB O=C(c1ccc(OC(F)(F)F)cc1Br)N1C[C@H](O)CC(F)(F)C1 1615610885 PYURTRVPHYMIAL-SSDOTTSWSA-N 404.129 3.190 0 40 HGAB Cn1cc(CC(=O)N2CCC(Cn3cnc4ccccc4c3=O)CC2)c2ccccc21 1848638733 FVPBTRQQRCMAJR-UHFFFAOYSA-N 414.509 3.370 0 40 HGAB O=C1CO[C@]2(CCCN(C(=O)C3(C(F)(F)F)CC3)CC2)CN1c1ccc(F)cc1 2037988477 MWAFLAGWNYSZNT-SFHVURJKSA-N 414.399 3.283 0 40 HGAB CN(Cc1ccccc1)S(=O)(=O)c1ccc(S(=O)(=O)NC2CCCCC2)cc1 922879 NIFZSGAYRIOVEX-UHFFFAOYSA-N 422.572 3.118 0 40 HGAB COc1ccc(-n2ncc3c2C[C@H]2c4cc(OC)c(OC)cc4CCN2C3=O)cc1 1393596 OWRMZFBHYXAFIS-IBGZPJMESA-N 405.454 3.194 0 40 HGAB CC(=O)Nc1ccc(-c2nnc(SCC(=O)N3CCc4ccccc43)n2C)cc1 2198052 JHQSJTOMDWLUQA-UHFFFAOYSA-N 407.499 3.122 0 40 HGAB Cc1ccc(-n2c(N)c(C(=O)NC[C@H]3CCCO3)c3nc4ccccc4nc32)cc1 2291134 UFLPIWUWLDEWPQ-MRXNPFEDSA-N 401.470 3.373 0 40 HGAB C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1ccccc1C(=O)c1ccccc1)C2=O 3407986 NDBFOMOIJSKSJM-FYSMJZIKSA-N 419.481 3.357 0 40 HGAB COc1ccc(-c2nn([C@H]3CC(=O)[C@H]4OC[C@@H]3O4)c(=S)n2-c2ccccc2)cc1 4182094 CCQGEQHRADNQBZ-QRFRQXIXSA-N 409.467 3.334 0 40 HGAB COc1ccc(OC)c2[nH]c(=O)c(CCNC(=S)Nc3ccccc3F)cc12 4225462 QCAGIMVBWLYVQZ-UHFFFAOYSA-N 401.463 3.214 0 40 HGAB CCCCN(C)C(=O)[C@@H](C(=O)c1ccc(Br)cc1)n1ccccc1=O 4689243 WBUXKSJSPMQADO-QGZVFWFLSA-N 405.292 3.293 0 40 HGAB CCOC(=O)C1=C(CSc2nc(C)nc3sc(C)c(C)c23)NC(=O)N[C@@H]1C 4799438 SFROBLXEXCTBDE-SECBINFHSA-N 406.533 3.227 0 40 HGAB Cc1ccccc1NC(=O)CN1C(=O)C(C)(C)Oc2ccc(C(=O)NC(C)C)cc21 4965809 BMIMPPMLLRSNRT-UHFFFAOYSA-N 409.486 3.276 0 40 HGAB CC(C)(C)c1ccc(OCC(=O)N(Cc2ccco2)[C@@H]2CCS(=O)(=O)C2)cc1 5252924 ILBOUTKBEPHPIN-QGZVFWFLSA-N 405.516 3.172 0 40 HGAB C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)c1ncnc2sc3c(c12)CCCC3 6584414 BNWNLGSHXQWAIG-LBPRGKRZSA-N 402.545 3.415 0 40 HGAB COc1cccc(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)N[C@H](C)CCCC(C)C)[C@H]4C2=O)c1 6670060 ZYQVPVZYFQKFEK-UDLNLZSMSA-N 412.530 3.313 0 40 HGAB CCCc1cc(=O)oc2c3c(c(Cl)cc12)OCN(CCCN1CCOCC1)C3 6759365 IUTODAFKALXPJG-UHFFFAOYSA-N 406.910 3.273 0 40 HGAB CC1(C)NC(=O)N(CCC(=O)N2CCc3sccc3[C@H]2c2cccs2)C1=O 7948445 OBEDETRBGHZQRM-INIZCTEOSA-N 403.529 3.004 0 40 HGAB O=S(=O)(c1ccc2c(c1)CCCC2)N1CCN(c2ncnc3sccc23)CC1 8063781 ZYGBATJNUHKKJH-UHFFFAOYSA-N 414.556 3.081 0 40 HGAB COc1cccc(C(=O)NCC(=O)N2CCC(c3nc4ccccc4s3)CC2)c1 8086281 PZBATJARGYGSCZ-UHFFFAOYSA-N 409.511 3.441 0 40 HGAB COc1ccccc1N1C(=O)c2ccc(C(=O)Nc3ccc(C(=O)O)cc3)cc2C1=O 8442928 RUSHRRYPSDLCCP-UHFFFAOYSA-N 416.389 3.446 0 40 HGAB Cn1ccnc1SCCNC(=O)c1ccccc1OCc1cn2ccccc2n1 8720081 LNZNHGVRYSJBIU-UHFFFAOYSA-N 407.499 3.169 0 40 HGAB COc1cc(CN(C[C@@H]2CCCO2)C(=O)COc2ccccc2)cc(OC)c1OC 8869926 UPSKXJDGEFJEPX-IBGZPJMESA-N 415.486 3.299 0 40 HGAB COc1ccc(S(=O)(=O)[C@@H](CNC(=O)CCc2ccccc2)c2cccnc2)cc1 9006545 RPKYHEGPLNNSFL-QFIPXVFZSA-N 424.522 3.354 0 40 HGAB CCN1CCc2c([nH]c3ccccc23)[C@@H]1c1c(O)nc(O)n(-c2ccc(F)cc2)c1=O 9013451 RBUQPRQQJVEJKH-FQEVSTJZSA-N 420.444 3.232 0 40 HGAB biogenic O=C(Cn1c(-c2cscn2)nc2ccccc21)NCCc1ccc2c(c1)OCCO2 9201862 YBYZVAPAKRCYSZ-UHFFFAOYSA-N 420.494 3.290 0 40 HGAB O=C(CSc1nnnn1-c1ccc(O)cc1)N[C@@H](c1ccccc1)c1cccs1 9537076 DOGYCLVNODCLBV-IBGZPJMESA-N 423.523 3.427 0 40 HGAB O=C(CSc1ncc(CO)n1Cc1c(F)cccc1F)N1CCc2ccccc21 9650305 PTDYYPLVRJXMFK-UHFFFAOYSA-N 415.465 3.383 0 40 HGAB Cc1ccc(-c2noc(-c3c[nH]c4ccc(S(=O)(=O)NC(C)C)cc4c3=O)n2)cc1 9941283 SAJRKZFXZASTJU-UHFFFAOYSA-N 424.482 3.240 0 40 HGAB Cc1ccc(-c2csc3ncnc(N4CCC(NS(C)(=O)=O)CC4)c23)cc1 10044515 VZLYTZCGUHXPQB-UHFFFAOYSA-N 402.545 3.185 0 40 HGAB COc1ccc(S(=O)(=O)NCCCN2C[C@H](C)C[C@@H](C)C2)cc1Br 10544046 LTJBWQVGFSIDCC-ZIAGYGMSSA-N 419.385 3.104 0 40 HGAB O=C(CSc1nnc(N2CCOCC2)n1Cc1ccco1)c1ccc(Cl)cc1 12216331 SOQVJWZJEXVVOX-UHFFFAOYSA-N 418.906 3.384 0 40 HGAB Cc1cccc(Nc2nc(CC(=O)N(CCN(C)C)C3CCN(C)CC3)cs2)c1 12238278 VQMMYQVHNNYAJJ-UHFFFAOYSA-N 415.607 3.222 0 40 HGAB O=C(C[S@](=O)CC(=O)Nc1cnc2ccccc2c1)Nc1ccc(Cl)cc1 12470785 GZVOBGFAOGEKOW-HHHXNRCGSA-N 401.875 3.214 0 40 HGAB NC1=Nc2nc3cc4c(cc3n2[C@H](c2ccccc2C(F)(F)F)N1)OCCCO4 12507729 FIWUNTLRDXBNFV-MRXNPFEDSA-N 403.364 3.313 0 40 HGAB CCNc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)Cc1cccc(OC)c1 12537153 WAQYRLJWEDKVSG-UHFFFAOYSA-N 419.547 3.339 0 40 HGAB CCCCCc1nnc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(C)cc2)s1 12583589 GMPUGDGKTUDUKJ-MRXNPFEDSA-N 422.576 3.371 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2ccc(C(F)(F)F)nc2)s1 12798866 WQHXSMLPLUPGMR-UHFFFAOYSA-N 421.466 3.122 0 40 HGAB CCOc1ccc2nc(SCC(=O)NCc3ccc(OC)c(OC)c3)[nH]c2c1 13685336 SJUZRIIBWJGURI-UHFFFAOYSA-N 401.488 3.387 0 40 HGAB O=C(/C=C/c1ccccc1)N1CCC(C(=O)N2CCN(Cc3ccccc3)CC2)CC1 14118652 UHYZIIYDEQMKHH-VAWYXSNFSA-N 417.553 3.283 0 40 HGAB O=C(C[C@H]1Sc2ccc(Cl)cc2NC1=O)NC[C@@H]1COc2ccccc2O1 14254735 PDTOROJZEQMHMY-SJKOYZFVSA-N 404.875 3.099 0 40 HGAB O=C(NC(=S)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1)c1cccs1 17092647 RWKYPQXCXQDYQK-UHFFFAOYSA-N 421.416 3.281 0 40 HGAB O=C(CCn1c(=O)oc2cc(Cl)ccc21)OCc1nc(-c2ccsc2)no1 18813130 DUVWFBPFDFXOGV-UHFFFAOYSA-N 405.819 3.493 0 40 HGAB O=C(c1cc([C@@H]2CCCN(Cc3ccc(Cl)cc3)C2)no1)N1CCC(O)CC1 19333997 LHDGJYRKCQPKCF-MRXNPFEDSA-N 403.910 3.305 0 40 HGAB Cc1sc2ncn(CC3(O)CCN(Cc4cccc(F)c4F)CC3)c(=O)c2c1C 19561567 BTQSQXDLYYCBFP-UHFFFAOYSA-N 419.497 3.380 0 40 HGAB CN(C)C(=O)[C@]1(Cc2cccc(-c3cccs3)c2)CCN(C(=O)[C@H]2CCCO2)C1 19579870 WWSQRSDBCOMEMT-XXBNENTESA-N 412.555 3.444 0 40 HGAB CO[C@@H]1CCC[C@H](C(=O)NCCn2ncc(-c3cnccn3)c2-c2cccs2)C1 19592665 XYLFKVIEJKMYPA-JKSUJKDBSA-N 411.531 3.390 0 40 HGAB COc1cccc(CC(=O)N2CCO[C@@H](c3nccnc3-c3cccc(F)c3)C2)c1 19693050 CLAPNNNNCYZQRS-HXUWFJFHSA-N 407.445 3.434 0 40 HGAB CN(C)Cc1cnc2ccnn2c1CC1CCN(C(=O)CCOc2ccccc2)CC1 19704792 ZXKXIMGSYAIOAV-UHFFFAOYSA-N 421.545 3.041 0 40 HGAB CCOC(=O)[C@](NCc1cccc(C(F)(F)F)c1)(NC(=O)CC)C(F)(F)F 19939231 IYWPSMCNQLMKKH-AWEZNQCLSA-N 400.319 3.143 0 40 HGAB COc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)Nc1ccc(F)c(F)c1F 20015723 WFXHYDDVTWSZSY-UHFFFAOYSA-N 422.812 3.025 0 40 HGAB CC(C)Oc1ccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3cccs3)C2)cc1 20110817 MNUFNGSWAREEMR-KRWDZBQOSA-N 422.572 3.252 0 40 HGAB COc1ccc(N(CC(=O)N(C)C2CCCC2)S(=O)(=O)c2ccccc2)cc1 20488899 BKFBHIIYLYUZPS-UHFFFAOYSA-N 402.516 3.292 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)CSCc1ccccc1 20492314 UYDYTSMWUWHSCQ-UHFFFAOYSA-N 420.556 3.352 0 40 HGAB C[C@H]1C[C@@H](C)CN(Cc2csc(NC(=O)CCNC(=O)Cc3ccccc3)n2)C1 22296906 XULCDMNTADFIOL-CALCHBBNSA-N 414.575 3.309 0 40 HGAB Cc1ccccc1N(CC(=O)N[C@H]1CC(C)(C)Oc2ccccc21)S(C)(=O)=O 22326851 DLMUKNGHMOQDRF-KRWDZBQOSA-N 402.516 3.180 0 40 HGAB O=C(NC[C@@H](c1cccs1)N1CCOCC1)[C@@H]1COc2ccc(Cl)cc2C1 22767279 PYFQRYSGFXKWHF-RDJZCZTQSA-N 406.935 3.142 0 40 HGAB O=C(COc1cccc(N2CCCC2=O)c1)NC[C@H](c1ccccc1)N1CCCC1 23741004 XQANQWSZAKKRQV-JOCHJYFZSA-N 407.514 3.146 0 40 HGAB COC(=O)[C@@H](C)NC(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1c1ccc(F)cc1 25108509 KZVHCGZVCXANCQ-ZUOKHONESA-N 416.449 3.062 0 40 HGAB COc1ccc(-c2noc(CCC(=O)Nc3nc4c(s3)CCC4)n2)cc1OC 25768814 BBCCHGAAYDSORA-UHFFFAOYSA-N 400.460 3.270 0 40 HGAB O=C(CN1CSCC1=O)Nc1nc2cc(C(F)(F)F)ccc2n1Cc1ccco1 26696921 NCEIVRLEIKABMB-UHFFFAOYSA-N 424.404 3.168 0 40 HGAB CCN(CC)C(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(OC)c(Br)c1 28724647 PFKBLNJLMPRVCZ-OAHLLOKOSA-N 412.353 3.119 0 40 HGAB Cc1ccc([C@H](CN2CCOCC2)NS(=O)(=O)c2ccc3c(c2)CCCC3)cc1 30340991 AATUYOQZMNRMEA-QHCPKHFHSA-N 414.571 3.226 0 40 HGAB CC(C)(C)NS(=O)(=O)c1cccc(C(=O)Nc2ccc3c(c2)OCCCO3)c1 30678117 JFMSAFJFGVKDPT-UHFFFAOYSA-N 404.488 3.177 0 40 HGAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)O2 30938772 MJLBCQWATCGCSE-MRXNPFEDSA-N 415.298 3.468 0 40 HGAB C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)NCc1ccnc(N2CCOCC2)c1 32638188 HDSZUOKBLLPHGT-CYBMUJFWSA-N 410.301 3.309 0 40 HGAB CCCCCNC(=O)CC[C@H]1N=C(O)N(CCc2c[nH]c3ccc(F)cc23)C1=O 36576154 GKHZWDUGUTWPLW-GOSISDBHSA-N 402.470 3.061 0 40 HGAB Cc1nc(-c2ccsc2)sc1C(=O)Nc1cccc([C@@]2(C)NC(=O)NC2=O)c1 40111171 QTVKQPZZOKNOOB-LJQANCHMSA-N 412.496 3.487 0 40 HGAB COc1ccc2[nH]c(CSCC(=O)Nc3nnc(C(C)C)s3)cc(=O)c2c1 41077344 AKBZHIAGKTURHC-UHFFFAOYSA-N 404.517 3.384 0 40 HGAB O=C(CCC(=O)N1CCN(c2cccc(Cl)c2)CC1)NCc1cccc(F)c1 41128135 PCMKGFHXRGZKAU-UHFFFAOYSA-N 403.885 3.224 0 40 HGAB CCN(CC(=O)NC[C@@H](c1ccco1)N(CC)CC)Cc1ccc2c(c1)OCCO2 53094171 HPDHDWUQSUBRQT-IBGZPJMESA-N 415.534 3.072 0 40 HGAB C[C@@H](NS(=O)(=O)c1cccs1)C(=O)Nc1ccc2oc(C(C)(C)C)nc2c1 56909183 JOZGUHHJDIZPBW-LLVKDONJSA-N 407.517 3.492 0 40 HGAB O=C(Cn1c(=O)n(-c2ccccc2)c(=O)c2sccc21)Nc1ccc(F)cc1F 57489527 LSLDJKKFWSUHAN-UHFFFAOYSA-N 413.405 3.131 0 40 HGAB Cc1cc(C(=O)N2CCN(C(=O)Nc3ccn(Cc4ccccc4)n3)CC2)c(C)o1 58134194 RWEYAZBEWWXCCJ-UHFFFAOYSA-N 407.474 3.131 0 40 HGAB CCc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccccc4CC)ncn3n2)cc1 67208759 QLQUDYCJDMRBAY-UHFFFAOYSA-N 401.470 3.322 0 40 HGAB CCOc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1COC(C)=O 70004332 DHFHBGPNGOXBRE-UHFFFAOYSA-N 421.471 3.111 0 40 HGAB CS(=O)(=O)CCOc1ccc(Cl)cc1NC(=O)/C=C/c1ccc2c(c1)CCO2 72303739 ICFAUZYDBKKJKE-XVNBXDOJSA-N 421.902 3.350 0 40 HGAB NS(=O)(=O)c1ccc(Sc2ccccc2C(=O)NCCc2ccccc2)cc1 72306811 HWEPYPAKKMECJD-UHFFFAOYSA-N 412.536 3.458 0 40 HGAB Cc1cc(S(=O)(=O)Nc2ccc([S@@](=O)C(F)(F)F)cc2)sc1C(=O)O 72312978 WWPKLAHQDGOYNJ-DEOSSOPVSA-N 413.420 3.183 0 40 HGAB Cc1cc(-c2cnn(C)c2)cc([C@H]2CCN(CC(=O)Nc3nc(C)c(C)s3)C2)n1 72374656 XDWLGMGETUDQBZ-INIZCTEOSA-N 410.547 3.292 0 40 HGAB C[C@H](NC(=O)CC1(NC(=O)OC(C)(C)C)CCC1)c1ccc2c(c1)NC(=O)CO2 78974199 HXZLXYQJSCIHPH-ZDUSSCGKSA-N 403.479 3.032 0 40 HGAB CC(C)c1cc2c(=O)[nH]c(CSCC(=O)NCCc3ccccn3)nc2s1 79464445 RJQXYBOVWQXNFB-UHFFFAOYSA-N 402.545 3.095 0 40 HGAB NC(=O)[C@@H](NC(=O)c1nc(Cl)ccc1Cl)c1cccc(Br)c1 84363266 ZEOKSAVUYKAXLC-NSHDSACASA-N 403.063 3.107 0 40 HGAB Cc1cc(=O)c(O)c(C(c2cc(Cl)c3c(c2)OCO3)c2oc(C)cc(=O)c2O)o1 85875017 YLYVJIGKSUZUSR-UHFFFAOYSA-N 418.785 3.183 0 40 HGAB biogenic O=C(NCC(=O)N1CCC(Cc2ccccc2)CC1)c1ccnc(OC2CCC2)c1 95444741 WXRIIJUBYYQLBO-UHFFFAOYSA-N 407.514 3.224 0 40 HGAB O=C(NCCn1cccc1)[C@@H]1CCCN(c2cc(-n3ccc4ccccc43)ncn2)C1 96124069 YCYUZFOPDSKABW-HXUWFJFHSA-N 414.513 3.255 0 40 HGAB Cc1nc(-c2cc(C(=O)NC[C@H]3CCCO3)c3ccccn23)cn1Cc1cccnc1 96266823 KYKXXGDRQHOBIJ-LJQANCHMSA-N 415.497 3.463 0 40 HGAB C[C@H]1CCCCN1CCCNC(=O)[C@@H]1C[C@@H]2CC[C@@H]1C[C@@]21NC(=O)c2ccccc2N1 100117896 HWPYTFDERBNLQJ-TWHOPLDESA-N 424.589 3.355 0 40 HGAB CC(=O)C1=NN(c2ccc(Cl)cc2)[C@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]12 100741299 KJWYRZHDCVSPKG-NVXWUHKLSA-N 402.237 3.317 0 40 HGAB CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)c1C 102113346 RINABCAHEPTRIL-QRQCRPRQSA-N 404.507 3.392 0 40 HGAB CC(C)Oc1cccc(CNC(=O)[C@H](C)N(c2ccccc2F)S(C)(=O)=O)c1 113957653 JNTSXXFUNUXHPW-HNNXBMFYSA-N 408.495 3.084 0 40 HGAB CC1CCN(S(=O)(=O)c2cccc(C(=O)NCCSCc3ccco3)c2)CC1 219997102 QARMLTMVKNGJGP-UHFFFAOYSA-N 422.572 3.363 0 40 HGAB CC[C@@H](C(=O)N[C@@H](C)COc1ccc(C)cc1)N(c1cccc(C)c1)S(C)(=O)=O 220524822 RMJPKGYYHNUIBW-RXVVDRJESA-N 418.559 3.432 0 40 HGAB COc1cccc(N(CCCC(=O)Nc2cccc(C(C)=O)c2)S(C)(=O)=O)c1 222592215 YIGNXTOEOHXZSA-UHFFFAOYSA-N 404.488 3.083 0 40 HGAB COc1ccc(-c2noc(CN(C)C(=O)COc3cccc(C)c3C)n2)c(OC)c1 222823142 DVHZZPNZLCCSES-UHFFFAOYSA-N 411.458 3.408 0 40 HGAB COc1ccc(S(=O)(=O)NCc2nc(-c3ccc(C(C)C)cc3)no2)cc1F 223601116 ZXAMFKBSXNPYRD-UHFFFAOYSA-N 405.451 3.486 0 40 HGAB CC[C@@H](NS(=O)(=O)c1cc(C)c(OC)cc1C)c1ccc(S(C)(=O)=O)cc1 223771847 NTBYARBGFGMKKS-QGZVFWFLSA-N 411.545 3.145 0 40 HGAB CC[C@@H]1CCCCN1CCCNS(=O)(=O)c1ccc(Cl)c(C(=O)OC)c1 224008576 HXDRUJXVXBWPMZ-CQSZACIVSA-N 402.944 3.060 0 40 HGAB CS(=O)(=O)N(CC(=O)NCCSC1CCCC1)c1ccc(C(F)(F)F)cc1 224054288 CJLLPBOZYWWZHX-UHFFFAOYSA-N 424.510 3.263 0 40 HGAB CCOc1ccccc1N(CC(=O)OC)S(=O)(=O)c1ccc(OC)c(Cl)c1 224952151 VUPLTGBUVSHIDH-UHFFFAOYSA-N 413.879 3.116 0 40 HGAB CCn1c(=O)sc2cc(S(=O)(=O)Nc3cccc(N4CCCC4=O)c3)ccc21 225698492 LIRZUYWDFYYJTM-UHFFFAOYSA-N 417.512 3.011 0 40 HGAB CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(-c3ccc(C(=O)O)o3)c2)cc1 226353388 NHQMSEZKBYNVBM-UHFFFAOYSA-N 400.412 3.404 0 40 HGAB NC(=O)C[C@@]1(COc2ccc(F)cc2)CCCN(C(=O)c2c(F)cccc2F)C1 257255864 KJFFDLUFQBWVAF-NRFANRHFSA-N 406.404 3.281 0 40 HGAB NC(=O)C[C@@]1(COc2ccc(F)cc2)CCCN(C(=O)c2cc(F)cc(F)c2)C1 257299602 RQTGQUSVFUREAW-NRFANRHFSA-N 406.404 3.281 0 40 HGAB Cc1ccc(CN(CC(=O)N[C@H](C)c2ccc3c(c2)CCC3)S(C)(=O)=O)cc1 260920112 FNOBJOPZRYIJAH-QGZVFWFLSA-N 400.544 3.123 0 40 HGAB O=C(NC[C@H]1CCCO1)c1nc(-c2ccn(Cc3cccnc3)c2)n2ccccc12 306126865 FHHSOOPBWLJGIC-LJQANCHMSA-N 401.470 3.155 0 40 HGAB CC(C)n1cc2c(n1)C1(CCN(c3ncccn3)CC1)CN(C(=O)c1ccco1)C2 306145158 ZZTRSAPNZMBVPV-UHFFFAOYSA-N 406.490 3.041 0 40 HGAB Cc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CCCCCC2)cc1 408594803 QTPOVVZGQPWEJU-OAQYLSRUSA-N 400.544 3.287 0 40 HGAB CS(=O)(=O)N(CC(=O)NCc1ccc(Cl)cc1Cl)c1ccc(F)c(F)c1 408694198 FMWNBIIRTVBQRJ-UHFFFAOYSA-N 423.268 3.354 0 40 HGAB Cc1ccccc1CNC(=O)c1ccccc1NC(=O)C(=O)NCCc1ccccc1 408709892 ZAPINUXBKIXZKC-UHFFFAOYSA-N 415.493 3.222 0 40 HGAB COc1cccc(NC(=O)/C=C/c2ccc(CNS(=O)(=O)c3ccccc3)o2)c1 409193393 JUIIXXUBXVQMRK-OUKQBFOZSA-N 412.467 3.419 0 40 HGAB COc1ccc([C@H](C)NC(=O)N2CCN(c3ncccc3F)CC2)c(C)c1OC 513431799 KYMLIPRBJGOCMB-HNNXBMFYSA-N 402.470 3.139 0 40 HGAB COc1cc(OC)cc(C(=O)N2C[C@H]3CN(c4ccc(C(F)(F)F)cn4)C[C@@H]3C2)c1 1888868582 JUUOKZHFLVPTCN-HUUCEWRRSA-N 421.419 3.326 0 40 HGAB Cc1cc2cc([C@@H](c3nnnn3Cc3ccccc3)N3CCCC3)c(=O)[nH]c2cc1C 893868 IZXNPINOKYYHPD-QFIPXVFZSA-N 414.513 3.365 0 40 HGAB CC(C)(C)c1ccc(C(=O)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)cc2)cc1 1268372 XOPOKAMZEJZRPO-UHFFFAOYSA-N 415.559 3.318 0 40 HGAB COC(=O)c1[nH]c2ccccc2c1NC(=O)CN1CCN(c2cccc(C)c2)[C@H](C)C1 2303708 PCQFRRDDNLOOAU-QGZVFWFLSA-N 420.513 3.412 0 40 HGAB CCCCCCn1c(S[C@@H](C)C(=O)NC(=O)NCC)nc2ccccc2c1=O 3521660 BOIVJKQVSVOGTI-AWEZNQCLSA-N 404.536 3.303 0 40 HGAB CCCOC(=O)[C@H]1[C@H]2C=C[C@]3(CN([C@@H](C)c4ccc(Br)cc4)C(=O)[C@H]13)O2 3641800 FMFOZGYRCXMSOM-UBGXMQACSA-N 420.303 3.245 0 40 HGAB CCc1nc(SCC(=O)Nc2nc(C)c(C(=O)OC)s2)c2ccccc2n1 4217198 YGCJJQZAYZQELA-UHFFFAOYSA-N 402.501 3.475 0 40 HGAB O=C(COC(=O)[C@@H]1CC(=O)N(C2CCCCC2)C1)c1ccc(Br)cc1 4555273 UXUSPSBYBSGMGI-CQSZACIVSA-N 408.292 3.356 0 40 HGAB CCCCN1C(=O)c2ccc(C(=O)OCC(=O)Nc3ccc4c(c3)CCC4)cc2C1=O 5309881 XJWZUIXDHPPEKR-UHFFFAOYSA-N 420.465 3.367 0 40 HGAB CC[C@@H](C)NC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCCO2 7054169 WTHKZCMOBSYZMJ-CQSZACIVSA-N 404.488 3.177 0 40 HGAB O=C(CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O)N1CC=C(c2ccccc2)CC1 7185407 MZPJKFGIAHDHIM-VWLOTQADSA-N 415.493 3.086 0 40 HGAB Cc1cc(S(=O)(=O)Nc2ccccc2)ccc1OCC(=O)N1CCC(C)CC1 7361768 PSIMUNMGPJOJSW-UHFFFAOYSA-N 402.516 3.433 0 40 HGAB COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)[C@H]2COc3ccc(Cl)cc3C2)c1C 7546763 HNTYTVXEJZDYHL-TZMCWYRMSA-N 419.861 3.437 0 40 HGAB O=C(Nc1cccc(Br)c1)c1cccc(S(=O)(=O)N2CCCC2)c1 7609622 OLTYFQPBKHBYDU-UHFFFAOYSA-N 409.305 3.486 0 40 HGAB Cc1ccc(C(=O)CCC(=O)OCC(=O)c2cc3c4c(c2)CC(=O)N4CCC3)cc1 7737887 DYGUTQIOYYMGNT-UHFFFAOYSA-N 405.450 3.219 0 40 HGAB C[C@H]1c2ccsc2CCN1C(=O)C1CCN(S(=O)(=O)c2cccs2)CC1 7829623 RUFYRMQAGZODQB-ZDUSSCGKSA-N 410.586 3.356 0 40 HGAB O=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)[C@@H]1COc2ccccc2C1 8113469 WDLIFSHWBBWIBH-KRWDZBQOSA-N 400.500 3.051 0 40 HGAB COc1ccc2[nH]cc(CCNC(=O)[C@H]3CC(=O)N(CCc4ccc(F)cc4)C3)c2c1 8246330 NDOLBNAHUWFXJC-SFHVURJKSA-N 423.488 3.066 0 40 HGAB CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(-n2cnnn2)cc1 8918810 DEWUMCJOOGWYPL-SFHVURJKSA-N 412.881 3.099 0 40 HGAB O=c1c2ncccc2n(Cc2cccc(C(F)(F)F)c2)c(=O)n1Cc1cccnc1 9001449 XDRWRPNXKPSRRX-UHFFFAOYSA-N 412.371 3.069 0 40 HGAB COc1ccc2c(C)c(CC(=O)Nc3nc(C)c(C(C)=O)s3)c(=O)oc2c1OC 9135196 XROBGASCDHURRG-UHFFFAOYSA-N 416.455 3.267 0 40 HGAB CCOC(=O)c1[nH]c(CN(C)CC(=O)Nc2ccc(C)cc2)c(C(=O)OCC)c1C 9218801 IHQSTIHQLQYELQ-UHFFFAOYSA-N 415.490 3.055 0 40 HGAB COc1ccc(CN2C(=O)N[C@@H](CCC(=O)Nc3ccc(C)c(Cl)c3)C2=O)cc1 9419073 QQFFGYZYFIAEGD-SFHVURJKSA-N 415.877 3.496 0 40 HGAB CS(=O)(=O)c1cccc(NC(=O)CN2CCC(c3c[nH]c4ccccc34)CC2)c1 10225006 FAECKLCRTZDLNU-UHFFFAOYSA-N 411.527 3.390 0 40 HGAB CCc1c(C)sc2nc(S[C@@H]3CCCCNC3=O)n(C[C@H]3CCCO3)c(=O)c12 10260476 KPSTZQIIJFGXMB-UKRRQHHQSA-N 421.588 3.269 0 40 HGAB Cc1ccc(S(=O)(=O)N2c3ccc(C(=O)NCc4ccccn4)cc3C[C@@H]2C)cc1 10326525 AKUVKIHKPZKUEF-KRWDZBQOSA-N 421.522 3.460 0 40 HGAB CCn1c(=O)n(CC(=O)Nc2ccnn2Cc2ccc(Cl)cc2)c2ccccc21 10509493 JOARZXQMXAXXOJ-UHFFFAOYSA-N 409.877 3.360 0 40 HGAB C[C@@H](OC(=O)C1CCCCC1)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 10627380 ADCXCQPAAHHVKI-MRXNPFEDSA-N 422.547 3.312 0 40 HGAB Cc1nc(C)c(C(=O)N(C[C@@H]2CCCO2)c2nc3c(s2)CCc2c-3cnn2C)o1 12146120 SZVWBDXJGMUKST-ZDUSSCGKSA-N 413.503 3.073 0 40 HGAB CCn1c(CCC(=O)N(C)C2CCCCC2)nc2cc(S(=O)(=O)N(C)C)ccc21 12603436 GKCPYKKTHQENJJ-UHFFFAOYSA-N 420.579 3.030 0 40 HGAB CN(C)Cc1ccc(CNC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc1 12769212 PAASZEGOHYFFAL-UHFFFAOYSA-N 424.570 3.174 0 40 HGAB O=C(NCCc1ccccc1)[C@H](c1ccccc1F)N(C(=O)c1csnn1)C1CC1 12873145 PVZYVUAUZTXHJG-FQEVSTJZSA-N 424.501 3.382 0 40 HGAB COC(=O)c1cc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)c(F)cc1F 12910639 JFJJGVPNVFXMFO-SNVBAGLBSA-N 408.788 3.396 0 40 HGAB Cn1c(S[C@H]2CCCCN(C(=O)c3ccc(F)cc3)C2=O)nnc1C(F)(F)F 12925149 PTNCEDCFKGVCNH-LBPRGKRZSA-N 416.400 3.287 0 40 HGAB C[C@@H](NC(=O)COc1ccccc1)C(=O)N1CC=C(c2c[nH]c3ccccc23)CC1 12986319 WTMNZQSFLXHEBV-QGZVFWFLSA-N 403.482 3.367 0 40 HGAB CCCCNC(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1 13678733 DKXYZXWXWPNKNQ-UHFFFAOYSA-N 407.363 3.452 0 40 HGAB CC(C)CNC(=O)[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1 13680145 OXJMGYOKZSIUDU-GOSISDBHSA-N 408.907 3.069 0 40 HGAB COc1cc2oc(=O)c(CC(=O)N3CCO[C@H](c4ccccc4)C3)c(C)c2cc1OC 13692193 NVYXUFYTLYWZPZ-QFIPXVFZSA-N 423.465 3.261 0 40 HGAB COC(=O)c1cc(CNC(=O)c2ccc(OCc3cscn3)cc2)ccc1OC 15723326 NHUYVEAWNHAFIX-UHFFFAOYSA-N 412.467 3.447 0 40 HGAB COc1cccc([C@@H]2C[C@@H](c3cccc(OC)c3OC(F)F)n3nnnc3N2)c1 15866241 KNOJHFWORTZYPQ-GJZGRUSLSA-N 403.389 3.438 0 40 HGAB CSc1cccc(NC(=O)CCc2csc(NC(=O)c3ccc(=O)[nH]c3)n2)c1 16851307 SYCLZTYBUIKGSQ-UHFFFAOYSA-N 414.512 3.377 0 40 HGAB O=C(Cn1cc(S(=O)(=O)Cc2ccc(F)cc2)c2ccccc21)N1CCCC1 17200859 DWLINUUJRIBBKO-UHFFFAOYSA-N 400.475 3.377 0 40 HGAB Cc1ccc(-n2ncc3c(SCC(=O)N4C[C@H](C)O[C@H](C)C4)ncnc32)c(C)c1 18081747 HEDXILNNLBCFKU-IYBDPMFKSA-N 411.531 3.160 0 40 HGAB CC(C)OCCCNC(=O)Cn1cnc2scc(-c3ccc(F)cc3)c2c1=O 18351422 WLWLBBPYNYCPMT-UHFFFAOYSA-N 403.479 3.195 0 40 HGAB Cc1cc(C)n(-c2ccc(C(=O)OCC(=O)Nc3cccc4nsnc34)cc2)n1 19076976 KWWCRVNLNRMSPR-UHFFFAOYSA-N 407.455 3.289 0 40 HGAB Cc1ccc(-n2ncc(C(=O)[C@H]3CCN(C(=O)CCCc4ccccn4)C3)c2N)cc1 19213174 MHQFBDKCOWCMPR-SFHVURJKSA-N 417.513 3.212 0 40 HGAB CCNC(=O)[C@@]1(Cc2ccccc2-c2ccncc2)CCCN(C(=O)c2cc[nH]n2)C1 19528598 WOFCZSGQCCFRJG-XMMPIXPASA-N 417.513 3.073 0 40 HGAB COc1ccc(-c2cc3nc([C@H](C)NC(=O)[C@@H]4CCC[C@H](OC)C4)nn3cn2)cc1 19574383 DAPRARFVTOPTAE-LESCRADOSA-N 409.490 3.182 0 40 HGAB O=S(=O)(NC[C@@H](c1ccccc1)N1CCCCC1)c1ccc2oc(O)nc2c1 19662926 XUOZFUUZYOQFAP-SFHVURJKSA-N 401.488 3.039 0 40 HGAB CNc1nc([C@@H]2CCCCN2C(=O)CCC2CCCC2)nc2c1CCN(C(C)=O)C2 19708467 LPBLQOUBAONROU-FQEVSTJZSA-N 413.566 3.447 0 40 HGAB O=C(Nc1ccc(F)cc1F)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(F)cc2)C1 19862882 FBWHKIKRQFPKOI-CQSZACIVSA-N 412.433 3.284 0 40 HGAB COc1ccccc1[C@H](C)NC(=O)CCc1ccc(S(=O)(=O)NC(C)C)cc1 20023613 BCUPFCKVAYBAGZ-INIZCTEOSA-N 404.532 3.192 0 40 HGAB O=C1C[C@H](N2CCN(Cc3ccccc3)CC2)C(=O)N1c1ccccc1C(F)(F)F 20494461 VJUZXZKEHGSFGT-IBGZPJMESA-N 417.431 3.155 0 40 HGAB COc1ccc(CC(=O)Nc2cccc(S(=O)(=O)NCc3ccco3)c2)cc1F 20897689 JYYXTJWDSHAVSV-UHFFFAOYSA-N 418.446 3.087 0 40 HGAB COCCCNC(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1 22277931 KHRVSGSMELNVFI-UHFFFAOYSA-N 424.950 3.305 0 40 HGAB CN(Cc1ccccc1N1CCOCC1)C(=O)NCc1ccccc1OC(F)F 22436007 GYONRNFLOQYGLA-UHFFFAOYSA-N 405.445 3.466 0 40 HGAB O=C1C[C@H](c2ccc(Cl)cc2)Cc2c1cnc1nc(N3CCOCC3)nc(O)c21 22606976 SDEDFVDMQOBSRW-CYBMUJFWSA-N 410.861 3.133 0 40 HGAB O=C(COc1ccc(Cl)cc1Cl)NCC(=O)N1CCO[C@H](c2ccccc2)C1 23127852 GSSWYDUUCAHQEU-SFHVURJKSA-N 423.296 3.089 0 40 HGAB COc1cccc(CSc2nc(O)cc(CC(=O)Nc3nc(C)cs3)n2)c1 23138134 FHMYVPIWXGLXFW-UHFFFAOYSA-N 402.501 3.429 0 40 HGAB COC(=O)c1cc(NC(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)c(F)cc1F 26063551 WGKGQINQOVCBNM-QGZVFWFLSA-N 404.369 3.121 0 40 HGAB COC(=O)[C@H](c1ccccc1Cl)N1CCN(Cc2ccc3c(c2)OCO3)CC1 26160619 KXHUCKKOMRTTQZ-FQEVSTJZSA-N 402.878 3.101 0 40 HGAB CCCn1c(CCC(=O)N[C@@H](C)CC)nc2cc(S(=O)(=O)N(CC)CC)ccc21 27337732 DQGNAIXTZQXEAW-INIZCTEOSA-N 422.595 3.324 0 40 HGAB Cc1cc2oc(C(=O)NC[C@H](c3ccccc3)N3CCOCC3)cc(=O)c2cc1C 28289770 JZGGOQMYJXWIGX-HXUWFJFHSA-N 406.482 3.213 0 40 HGAB COc1ccc(NC(=O)[C@@H]2CC(=O)Nc3c(C)c(-c4ccc(OC)cc4)nn32)cc1 32091434 MAQWJXHZYHGVNB-SFHVURJKSA-N 406.442 3.398 0 40 HGAB COc1ccc(CN2CCN(C(=O)c3ccc(Cl)cc3F)CC2)c(OC)c1OC 32772581 SBYLJXSFJFHNSN-UHFFFAOYSA-N 422.884 3.463 0 40 HGAB Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)N1CCC(OCc2ccccc2)CC1 32851169 MIPUPAQNLAIMEB-FQEVSTJZSA-N 423.557 3.428 0 40 HGAB CC(C)OCCCNC(=O)CCc1ccc(S(=O)(=O)N2CCCCCC2)cc1 33028766 ONOUAPITQPLCKK-UHFFFAOYSA-N 410.580 3.115 0 40 HGAB CS(=O)(=O)N1C[C@H](C(=O)Nc2ccccc2Cl)Oc2ccc(Cl)cc21 38833799 SPDQHAXTSWWQRL-OAHLLOKOSA-N 401.271 3.159 0 40 HGAB Cc1nn(C)c(C)c1NC(=O)[C@@H](C)N1CCC(C(=O)c2cc(F)ccc2F)CC1 40120203 ISNITIAUDVVCRQ-CQSZACIVSA-N 404.461 3.237 0 40 HGAB Cc1nc(CCNC(=O)c2cccc(CS(=O)(=O)c3ccccc3)c2)cs1 40145317 BKGDORKWANKDLC-UHFFFAOYSA-N 400.525 3.398 0 40 HGAB CC[C@H](NC(=O)[C@H](C)N(c1ccc(OC)cc1)S(C)(=O)=O)c1ccc(C)cc1 44848376 HGZVEXJTTADSLK-JXFKEZNVSA-N 404.532 3.426 0 40 HGAB C[C@H]1Cc2cc(-c3csc(-c4cccc(C(N)=O)c4)n3)ccc2N1S(C)(=O)=O 46865263 KIMVJSLBLUFTFC-LBPRGKRZSA-N 413.524 3.287 0 40 HGAB O=C(Cn1cc(Br)ccc1=O)NCc1nc(-c2ccccc2)cs1 52820986 JNBCXARJMBLTEB-UHFFFAOYSA-N 404.289 3.051 0 40 HGAB C[C@H](NC(=O)CN1C(=O)Cn2c(cc3ccccc32)C1=O)c1cc2ccccc2o1 58159174 AKDYMLVKUYPVTC-AWEZNQCLSA-N 401.422 3.247 0 40 HGAB COC(=O)c1ccc(S(=O)(=O)Nc2ccc(Sc3nccn3C)cc2C)cc1 58224035 ISYPIDUNLHBEFM-UHFFFAOYSA-N 417.512 3.467 0 40 HGAB CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(C)c(C(F)(F)F)c2)cc1 60321304 LGERKOYZHVPQIO-UHFFFAOYSA-N 400.422 3.242 0 40 HGAB O=C(CC1CCCCC1)NCCNS(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 60357813 ZXECOJIWAPRCSC-UHFFFAOYSA-N 410.433 3.209 0 40 HGAB Cc1noc(CCNC(=O)[C@H](CC(C)C)NC(=O)c2ccc(Cl)cc2Cl)n1 62580915 VPBWJNMQVISJMD-HNNXBMFYSA-N 413.305 3.188 0 40 HGAB CCc1ccccc1NC(=O)Cn1cnc2nc(N3CCC[C@@H](C)C3)sc2c1=O 67226108 AKDPYGIYBZJDJW-CQSZACIVSA-N 411.531 3.290 0 40 HGAB CCc1ccc(Nc2n[nH]nc2C(=O)N2CCN(c3ccccc3OC)CC2)cc1 67284198 SATWEOCGWXDAJG-UHFFFAOYSA-N 406.490 3.082 0 40 HGAB CC(C)NC(=O)N1CCCCC[C@@H]1C1CCN(c2ncc(C(N)=O)cc2Cl)CC1 69901314 QAHYPRVFDMZETE-GOSISDBHSA-N 421.973 3.413 0 40 HGAB O=C(NC[C@]1(N2CCOCC2)CCSC1)Nc1ccccc1N1CCCCC1 70009083 OYTIPUPGAVMOPZ-OAQYLSRUSA-N 404.580 3.006 0 40 HGAB COc1cc2oc(=O)cc(C)c2cc1CCC(=O)Nc1nnc([C@@H]2CCCO2)s1 70666253 XAHWUAYRHOCRAD-AWEZNQCLSA-N 415.471 3.384 0 40 HGAB biogenic CN(C)[C@H](CNC(=O)c1cc(=O)c(OCc2ccccc2)co1)Cc1ccccc1 72314350 XHOMMKAEDWKHOT-FQEVSTJZSA-N 406.482 3.122 0 40 HGAB Cc1nc(N)c2c(C(F)(F)F)cc([C@H]3CCCN(C(=O)c4ccccn4)C3)nc2n1 72346267 BSLWILJQHKSBKC-LBPRGKRZSA-N 416.407 3.349 0 40 HGAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2cc(OCc3ccccc3)no2)c1 90610025 JEFRVOIMRHJKCK-UHFFFAOYSA-N 410.382 3.079 0 40 HGAB Cc1c(Cc2ccccc2)c(=O)oc2c3c(ccc12)OCN(CCN1CCOCC1)C3 95481034 AZPQTEQRQQZKJM-UHFFFAOYSA-N 420.509 3.176 0 40 HGAB Cc1nc(C)c([C@H](C)NC(=O)C(=O)Nc2cc3c(cc2Cl)OCCCO3)s1 95954156 HZUBBZJVOSECIH-JTQLQIEISA-N 409.895 3.391 0 40 HGAB CCOc1ccccc1-c1cccc(C(=O)N2CC(n3cc(C(C)(C)O)nn3)C2)c1 95998143 APENHMJZDOBFGJ-UHFFFAOYSA-N 406.486 3.268 0 40 HGAB CCn1c(SCC(=O)N[C@H]2CCCC3(C2)OCCO3)nnc1-c1ccccc1C 96008233 ZHSGUKLDVHGXPR-INIZCTEOSA-N 416.547 3.167 0 40 HGAB COC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)c(N3CCCCC3=O)c2)cc1 96098384 QCHOETDYKJJTNS-UHFFFAOYSA-N 417.487 3.491 0 40 HGAB O=C(NCCc1ccccc1)c1nc(-c2cn(C[C@H]3CCCO3)cn2)n2ccccc12 96155150 VXFBLFCTRYCJRI-LJQANCHMSA-N 415.497 3.349 0 40 HGAB Cc1ccc(CNC(=O)C2=NO[C@@]3(CCCN(C(=O)c4cc(C)oc4C)C3)C2)cc1 96225369 OKPCTWMWEGUUGB-QHCPKHFHSA-N 409.486 3.272 0 40 HGAB O=C1[C@H]2ON(c3ccccc3)[C@@H](c3ccc(O)cc3)[C@H]2C(=O)N1Cc1ccccc1 97466279 POBYBTAFLPYBDN-FSSWDIPSSA-N 400.434 3.439 0 40 HGAB CC(=O)N1CCc2ccccc2[C@H]1c1c(O)[nH]c(=S)n(-c2cccc(F)c2)c1=O 100929986 CDJWEOOZUFNFIS-SFHVURJKSA-N 411.458 3.234 0 40 HGAB O=C(COC(=O)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2)NC(=O)NCc1ccccc1 102367739 WEQRQTSQVUBGOQ-AJHHTPGJSA-N 404.894 3.133 0 40 HGAB CC[C@H](C(=O)NCCCc1cccc(C)c1)N(c1ccc(F)cc1)S(C)(=O)=O 219112876 KUDAMUCYWPLMHC-HXUWFJFHSA-N 406.523 3.428 0 40 HGAB Cc1ccc(CCCNC(=O)CN(c2cccc(OC(C)C)c2)S(C)(=O)=O)cc1 220110460 XKNPMTACSLZONB-UHFFFAOYSA-N 418.559 3.297 0 40 HGAB CCOC(=O)c1cccc(NC(=O)c2ccc(C)c(N3CCCCS3(=O)=O)c2)c1 222572673 ORVQKSHZFTVSMN-UHFFFAOYSA-N 416.499 3.354 0 40 HGAB CC[C@@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)COc1ccc(OC)cc1 223106673 FJVPIQUFEJYYEA-IBGZPJMESA-N 404.894 3.281 0 40 HGAB CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)COc1ccccc1OC 223151520 WVOKWWDNRGXGGG-KRWDZBQOSA-N 404.894 3.281 0 40 HGAB CN(C)C(=O)COc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)cc1 223304326 ISHKZLSJEXVZHA-UHFFFAOYSA-N 403.287 3.261 0 40 HGAB Cc1ccc(C(=O)NCCOc2ccccc2C(C)(C)C)cc1N(C)S(C)(=O)=O 223729425 YKRJUICLPQLQCH-UHFFFAOYSA-N 418.559 3.497 0 40 HGAB Cc1ccc(N(C)CCNC(=O)c2ccc(C)c(N3CCCCS3(=O)=O)c2)cc1 224402682 YLOYGLGTKXNHIR-UHFFFAOYSA-N 415.559 3.100 0 40 HGAB COCc1cccc(NC(=O)CCCN(c2ccccc2OC)S(C)(=O)=O)c1 224740141 QJRCJPGCTLDSJT-UHFFFAOYSA-N 406.504 3.027 0 40 HGAB CCOC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccc(OC)c(Cl)c1 224957555 XSDSJUVHEUQYQE-UHFFFAOYSA-N 401.843 3.246 0 40 HGAB Cc1nc(-c2ccc(S(=O)(=O)NC[C@@H](c3ccsc3)N3CCC3)cc2)co1 225594980 RXRXSFLLOUCPPL-IBGZPJMESA-N 403.529 3.437 0 40 HGAB COc1ccc(CC(=O)N2CCc3nc4ccc(Cl)cn4c(=O)c3C2)cc1Cl 225781118 ILWOIVKKJWWZJG-UHFFFAOYSA-N 418.280 3.137 0 40 HGAB CC(C)NC(=S)Nc1nc(Sc2ncccn2)cc(N2CCCCCC2)n1 225889456 JGFYPKXGOQYZTP-UHFFFAOYSA-N 403.581 3.493 0 40 HGAB CC(=O)Nc1ccc(S(=O)(=O)N2CC[C@H](Oc3ccc4ccccc4n3)C2)cc1 245053600 PCHIWBRDQQDIMR-SFHVURJKSA-N 411.483 3.035 0 40 HGAB C[C@@H]1CCCCN1CCCNC(=O)[C@@H]1C[C@H]2CC[C@H]1C[C@@]21NC(=O)c2ccccc2N1 257241100 HWPYTFDERBNLQJ-CQVUMHHCSA-N 424.589 3.355 0 40 HGAB CC(C)n1cnc([C@H]2CN(Cc3ccoc3)C[C@@]23CCN(Cc2ccncc2)C3=O)c1 306141153 VMRUAEYDKAPYQI-QPPBQGQZSA-N 419.529 3.470 0 40 HGAB O=C(Cn1nc(-c2ccco2)ccc1=O)Nc1ccccc1-c1cn2c(n1)SCC2 390825949 SGXBVSLRLCJGCY-UHFFFAOYSA-N 419.466 3.111 0 40 HGAB CC(=O)Nc1cccc(NC(=O)CN(c2cc(Cl)ccc2C)S(C)(=O)=O)c1 408614002 ZPICJTNZDKMWGP-UHFFFAOYSA-N 409.895 3.012 0 40 HGAB CC(=O)Nc1cccc(NC(=O)CN(c2ccc(C)c(Cl)c2)S(C)(=O)=O)c1 408617754 JDAVVHGRMQNJIF-UHFFFAOYSA-N 409.895 3.012 0 40 HGAB Cc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(=O)Nc1ccccc1Cl 409390730 LFXAUBLOBBNRMW-UHFFFAOYSA-N 408.907 3.450 0 40 HGAB O=C(NCc1ccccc1OC(F)(F)F)[C@@H]1CCCN(c2cc3c(nn2)CCC3)C1 585150595 WETWMXWFOVGEIP-MRXNPFEDSA-N 420.435 3.397 0 40 HGAB CC(=O)N[C@@]1(C)C[C@@H](c2c(C(=O)O)[nH]c3ccc(C)cc23)O[C@@H]2[C@H]1CC=C(C)[C@H]2O 585261204 IFTWXUBMWYWLTA-HVLZSIRDSA-N 412.486 3.226 0 40 HGAB Cc1nc(Nc2cc(C)[nH]n2)cc([C@H]2CCCN2C(=O)/C=C/c2csc(C)n2)n1 585292160 XLDKXWMWCWPJCY-DKRLNXSXSA-N 409.519 3.702 0 40 HGAB Cc1ocnc1C(=O)N1CCC[C@]2(CCCCc3ccccc3OCCNC2=O)C1 643560141 MAJLZTVEEYVGQL-HSZRJFAPSA-N 411.502 3.127 0 40 HGAB Cc1ccc2c(c1)Cc1cccc(c1)CN(C(=O)Cn1ccnc1)CCOCCO2 643572960 RMCMEOIJFXWWBK-UHFFFAOYSA-N 405.498 3.220 0 40 HGAB Cc1scc(C(=O)NCCN2CCN(C(=O)c3csc(C)c3C)CC2)c1C 647714739 BUWQFINHLMJWFV-UHFFFAOYSA-N 405.589 3.231 0 40 HGAB CC(C)(C)N1C[C@@H](NC(=O)CCn2ccc3cc(Br)ccc32)CC1=O 1565525046 YXASZFHTGYCWSQ-HNNXBMFYSA-N 406.324 3.310 0 40 HGAB CCc1nc(C)sc1CNC(=O)c1c(N2CCOCC2)noc1-c1ccccc1 1704313851 LAVPLMILCAHUBW-UHFFFAOYSA-N 412.515 3.436 0 40 HGAB O=C(NC[C@@H](O)c1ccc(-c2ccco2)o1)C(=O)Nc1ccc(OC(F)(F)F)cc1 1775966217 UORHXPVPEPTQJG-CYBMUJFWSA-N 424.331 3.227 0 40 HGAB O=C(c1cccc(Cl)c1)N1CCN(c2ncnc3c2cnn3-c2ccccc2)CC1 1372341 GCXRVHKLLNXRIW-UHFFFAOYSA-N 418.888 3.431 0 40 HGAB CCOc1cc2c(ccc1=O)-c1c(cc(OC)c(OC)c1OC)CC[C@@H]2NC(C)=O 1595466 UYBLADDTAKYHBN-KRWDZBQOSA-N 413.470 3.262 0 40 HGAB COCCCN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@@H]2c2ccccc2C)C1=O 2114176 NVQOBVDOJJDKDQ-URXFXBBRSA-N 417.509 3.198 0 40 HGAB biogenic CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 3328348 DPLGMLDRONXOMO-ZDUSSCGKSA-N 404.435 3.021 0 40 HGAB CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)Cc1c(F)cccc1Cl 3332804 YSLVJZLTTZWSNW-UHFFFAOYSA-N 406.841 3.280 0 40 HGAB CC(C)N(Cc1ccccc1)C(=O)CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O 3346207 DDGQMDJECWGOAN-NRFANRHFSA-N 418.497 3.068 0 40 HGAB CCn1c(SCC(=O)Nc2ccc(OC)cc2OC)nc2c(c1=O)S[C@H](C)C2 4107881 FBRATFMLGVMYPS-LLVKDONJSA-N 421.544 3.048 0 40 HGAB O=c1/c(=C/c2ccc(F)cc2)sc2nc(-c3ccccc3Br)nn12 4182421 QJXNRRATLNQZJZ-ZROIWOOFSA-N 402.248 3.267 0 40 HGAB CC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2ccc3c(c2)NC(=O)CCS3)c1C 6000783 DDQSEJIXWSNPEU-UHFFFAOYSA-N 400.456 3.308 0 40 HGAB O=C(CSc1ccccn1)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 6244661 CWSZOUAGPCOWLE-UHFFFAOYSA-N 406.514 3.070 0 40 HGAB CC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=O)N(c4cccnc4)C3=O)o2)cc1 6297466 IXIDFSNDPCHCGJ-WOJGMQOQSA-N 401.378 3.211 0 40 HGAB COc1ccc(NS(=O)(=O)c2cc(Br)ccc2OC)cc1OC 7056308 AYTBCSWNTHRWLF-UHFFFAOYSA-N 402.266 3.276 0 40 HGAB C[C@@]12CCC(=O)N1[C@H](C(=O)Nc1ccc(-c3nnc4n3CCCCC4)cc1)CS2 7407303 AYYBJNCJLCPIDA-HRAATJIYSA-N 411.531 3.064 0 40 HGAB CN(C)c1ccc(-c2noc([C@H]3CC(=O)N(c4ccc5c(c4)OCCO5)C3)n2)cc1 8605281 HXIOGCQANKEDHN-HNNXBMFYSA-N 406.442 3.094 0 40 HGAB O=C(CN1CCN(c2ccccn2)CC1)N(CCc1ccccc1)Cc1ccccc1 8724365 KDMHVCUXIIOHBJ-UHFFFAOYSA-N 414.553 3.475 0 40 HGAB COc1cccc(-c2noc(CN3C(=O)N[C@]4(CCCc5ccccc54)C3=O)n2)c1 9218612 QCRQYQSMCMPKSV-QFIPXVFZSA-N 404.426 3.029 0 40 HGAB CC1(C)Cc2c(sc3nnn(CC(=O)Nc4cccc5ccccc45)c(=O)c23)CO1 9291803 DCVBFUVMRSYRRU-UHFFFAOYSA-N 420.494 3.496 0 40 HGAB O=C(c1cncn1-c1ccc(F)cc1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 9378393 NUFUBSWZZDBFAG-UHFFFAOYSA-N 405.433 3.132 0 40 HGAB CCOC(=O)c1ccccc1NC(=O)CSc1nnc(NC(=O)C(C)(C)C)s1 9600159 HQPAYYKJBIOLHI-UHFFFAOYSA-N 422.532 3.430 0 40 HGAB CN(C)S(=O)(=O)N(C)c1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1 9694894 FSYLVAIMSZFILM-UHFFFAOYSA-N 402.303 3.488 0 40 HGAB CC(C)(C)OC(=O)Nc1cccc(C(=O)NCc2cccc(NS(C)(=O)=O)c2)c1 10548590 LKJNZEZJQCMAFD-UHFFFAOYSA-N 419.503 3.335 0 40 HGAB CCCNC(=O)CN1c2ccc(Br)cc2-c2ccccc2S1(=O)=O 11120902 WVQONXJEVAVUCC-UHFFFAOYSA-N 409.305 3.151 0 40 HGAB C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)N1CCC(CCc2ccccc2)CC1 11155765 BWRVUDCKTYQBMK-KRWDZBQOSA-N 415.559 3.006 0 40 HGAB COC1CCC(C(=O)N[C@H](Cn2nc(-c3cccs3)ccc2=O)C(C)C)CC1 12144972 QANVFHIKVJDQBL-LEOMRAHMSA-N 403.548 3.318 0 40 HGAB CC(C)NC(=O)Cn1cc(CN2CCC[C@H](CN3CCCC3=O)C2)c2ccccc21 12220232 CRTANKIWCGUTCS-IBGZPJMESA-N 410.562 3.000 0 40 HGAB COc1ccc(-c2nnc(SCCN3C(=O)CCC3=O)n2-c2ccccc2)cc1 12545019 WRVTUGJVEVLBCL-UHFFFAOYSA-N 408.483 3.184 0 40 HGAB C[C@H]1CCC[C@H](C)N1S(=O)(=O)c1ccc(NC(=O)CCNC(=O)C(C)(C)C)cc1 12765258 PVRUPPZPKGYLOD-HOTGVXAUSA-N 423.579 3.129 0 40 HGAB COc1cccc([C@@H](CNC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)N2CCCC2)c1 12789066 XANMSWZUNXRGOP-NFBKMPQASA-N 421.541 3.310 0 40 HGAB CCn1c(=O)c(=O)[nH]c2cc(C(=O)N3CCCCC[C@H]3c3ccc(OC)cc3)ccc21 12793869 UMCHJFXLIWSMIJ-FQEVSTJZSA-N 421.497 3.476 0 40 HGAB O=C(NC[C@@H](c1ccccc1)N1CCCC1)c1cccc(NC(=O)[C@H]2CCCO2)c1 12910657 JSCAQWWFZMRCPY-FCHUYYIVSA-N 407.514 3.371 0 40 HGAB CCc1ccc(OCC(=O)Nc2c(C(=O)N3CCOCC3)oc3ccccc23)cc1 12937767 HMEZGOAZIWKKJT-UHFFFAOYSA-N 408.454 3.485 0 40 HGAB Cn1c(CCCNC(=O)[C@@H]2CCCO2)nc2cc(NC(=O)Nc3ccccc3)ccc21 13719512 HAYFAEUSXSFQTG-FQEVSTJZSA-N 421.501 3.445 0 40 HGAB O=C(CCNC(=O)c1ccccc1Cl)Nc1ccc(S(=O)(=O)C(F)F)cc1 15999680 DTOLVQNTBHVABG-UHFFFAOYSA-N 416.833 3.095 0 40 HGAB Cc1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1 16504285 VJRJXHPYFRKCCM-UHFFFAOYSA-N 422.466 3.218 0 40 HGAB CN(C(=O)CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)C1CCCCC1 17357064 FMXDVVYIJPYPQX-UHFFFAOYSA-N 408.442 3.045 0 40 HGAB Cc1cc2n(n1)[C@@H](C(F)F)C[C@@H]([C@@H]1CCCN(C(=O)CN3CCCCCC3)C1)N2 19127894 NQFJABAXMBTGRU-FGTMMUONSA-N 409.525 3.297 0 40 HGAB NC(=O)[C@@]1(Cc2cccc(-c3cccnc3)c2)CCCN(C(=O)c2ccccn2)C1 19399945 VAXLFCKJYUPMFH-XMMPIXPASA-N 400.482 3.094 0 40 HGAB Cc1cc(C)n(CCCC(=O)N[C@H]2C[C@]3(CCC(=O)N(C)CC3)Oc3ccccc32)n1 19574173 LBHRSAMTNGUQFC-GBXCKJPGSA-N 424.545 3.301 0 40 HGAB CN(C)c1ncc(-c2ccncc2)c([C@@H]2CCCN2C(=O)COc2ccccc2F)n1 19585286 NJTNRFNVVGEIKF-IBGZPJMESA-N 421.476 3.486 0 40 HGAB CCOc1ccc(N(CC(=O)NCCSc2ccc(C)cc2)S(C)(=O)=O)cc1 20237036 PZBXUUTZDZYMHO-UHFFFAOYSA-N 422.572 3.068 0 40 HGAB O=C(CCCCCn1cnc2ccccc2c1=O)N1CCN(Cc2ccccc2)CC1 20547837 ZECHDJGZXVUXHZ-UHFFFAOYSA-N 418.541 3.301 0 40 HGAB CCOC(=O)c1c(NC(=O)CNC[C@H](c2ccccc2)N(C)C)sc(C)c1C 22029734 RSTCGKXBBFMXMS-QGZVFWFLSA-N 403.548 3.373 0 40 HGAB O=C(CCn1cnc2sccc2c1=O)OCc1cc(Cl)c2c(c1)OCCO2 22279876 BJSBCRCMEBJHCG-UHFFFAOYSA-N 406.847 3.016 0 40 HGAB Cc1ccc2c(c1)[C@@H](NC(=O)CN(c1cccc(F)c1)S(C)(=O)=O)CC(C)(C)O2 22363420 JXPXHLQGPZWCOE-SFHVURJKSA-N 420.506 3.319 0 40 HGAB COc1cc2c(cc1OC)CN([C@H]1CC(=O)N(c3ccc(Cl)cc3)C1=O)CC2 22609263 YONZYNMQCBMVQU-KRWDZBQOSA-N 400.862 3.047 0 40 HGAB COc1ccc2sc(N(CCN3CCOCC3)C(=O)c3cccs3)nc2c1 22998344 RIPCPTNYMSAHSU-UHFFFAOYSA-N 403.529 3.345 0 40 HGAB COc1ccc([C@@H]2CCCN2C(=O)CN2C(=O)[C@H](C)Oc3ccccc32)c(OC)c1 23313248 PBOZBXLQSBPDON-YJBOKZPZSA-N 410.470 3.181 0 40 HGAB COC(=O)c1ccoc1CSc1nnc(N2CCC(C)CC2)n1C[C@H]1CCCO1 23355397 JAAQVWOKDJQSIB-OAHLLOKOSA-N 420.535 3.365 0 40 HGAB O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCN(CCOc2ccccc2)CC1 23763604 IEAYYUJEPJOXCF-UHFFFAOYSA-N 414.449 3.091 0 40 HGAB C[C@@H](C(=O)NCc1ccccc1)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 24991562 HXWIFXQNUXACAT-KRWDZBQOSA-N 408.498 3.057 0 40 HGAB C[C@H](C(=O)N1c2ccccc2NC(=O)C1(C)C)N1CCN(Cc2ccsc2)CC1 25065801 IIRBNNBAJYOHFE-MRXNPFEDSA-N 412.559 3.018 0 40 HGAB Cc1cccc(N2C[C@H](C(=O)N[C@H](c3cccc(F)c3)c3nccn3C)CC2=O)c1C 29080392 DKFYOEMWLYPQJX-XMSQKQJNSA-N 420.488 3.435 0 40 HGAB CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccccc3)C2)cc1C 30328582 HNYAPYIYTFKEQI-KRWDZBQOSA-N 402.516 3.433 0 40 HGAB CC(C)NC(=O)c1ccccc1NC(=O)c1ccc(NS(C)(=O)=O)c(Cl)c1 30853437 QFSJUIJWLDKABP-UHFFFAOYSA-N 409.895 3.102 0 40 HGAB NC(=O)COc1ccc(CNC[C@H](c2c(F)cccc2Cl)N2CCCC2)cc1 30910959 QICKLAXIRBSVBN-LJQANCHMSA-N 405.901 3.270 0 40 HGAB Cc1ccc(N2C(SCCOc3ccccc3)=N[C@@H]3CS(=O)(=O)C[C@H]32)c(C)c1 32640655 BJGQCMANGQNAJT-UYAOXDASSA-N 416.568 3.457 0 40 HGAB CCCn1c2ccccc2c2nnc(S[C@@H](C)c3nc(N)nc(N(C)C)n3)nc21 32778398 BRDKMPVGSYBREC-NSHDSACASA-N 409.523 3.076 0 40 HGAB CCOc1ccc(Cl)cc1/C=C1\NC(=O)N(CC(=O)Nc2ccccc2F)C1=O 39369662 NRHOZRSRCBOQPN-YBEGLDIGSA-N 417.824 3.409 0 40 HGAB O=C(Cn1c(=O)n(C2=CCCCC2)c2ccccc21)NCc1ccc2c(c1)OCO2 40128058 NIDFLKCDPJEPOJ-UHFFFAOYSA-N 405.454 3.263 0 40 HGAB Cc1nc(-c2ccc(CCNC(=O)C3CCN(c4ncccn4)CC3)cc2)cs1 40131901 SKHMVWIOINMMCS-UHFFFAOYSA-N 407.543 3.484 0 40 HGAB Cc1ccc(O[C@H](C)C(=O)NC2CCN(c3ncccn3)CC2)c(Br)c1 44525098 IJZSKGWPESZBAW-CQSZACIVSA-N 419.323 3.100 0 40 HGAB C[C@H](Sc1nnc2c(Cl)cc(C(F)(F)F)cn12)C(=O)NC[C@H]1CCCO1 49843317 KUFIFZBSSOZXIA-WCBMZHEXSA-N 408.833 3.177 0 40 HGAB Cc1cccc(NC(=O)CN2CCN(C(=O)c3cccc(-n4cccc4)c3)CC2)c1C 57270787 VGJRBZJIXWCFDU-UHFFFAOYSA-N 416.525 3.491 0 40 HGAB COc1ccc(-c2cc(C(=O)N3CCN(c4cccc(C)c4)CC3)n[nH]2)c(OC)c1 57477146 SOMUURPEXVESBY-UHFFFAOYSA-N 406.486 3.365 0 40 HGAB Cc1ccc(C)c(NC(=O)Cn2c(N3CCc4ccccc4C3)nc(C)cc2=O)c1 57506552 QJWDGBLFACSJEX-UHFFFAOYSA-N 402.498 3.370 0 40 HGAB CC(C)C[C@H](c1nnnn1C[C@@H]1CCCO1)N1CCN(c2cccc(Cl)c2)CC1 57670493 SFCFQBZJMFLIJW-VQTJNVASSA-N 418.973 3.415 0 40 HGAB CN(C)C(=O)c1ccc(NCC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc1 57688566 WMSIRXDNRLOPOH-HXUWFJFHSA-N 423.513 3.325 0 40 HGAB CCCCn1c(SCC(=O)NCCc2cccs2)nc2cc(C)[nH]c2c1=O 67239322 OCDHOABBJFYKNJ-UHFFFAOYSA-N 404.561 3.346 0 40 HGAB CCc1ccccc1NC(=O)c1nnn(CC(=O)Nc2cc(OC)cc(OC)c2)c1C 71327271 JKEDIRWHEQZAAX-UHFFFAOYSA-N 423.473 3.057 0 40 HGAB O=C(N1CCC2(CC1)C[C@](O)(c1nccs1)CO2)C1(c2ccc(Cl)cc2)CC1 72335662 SZEQHJJSKZUESQ-OAQYLSRUSA-N 418.946 3.497 0 40 HGAB Cc1cc(C)c(OCC(=O)N2CCN=Cc3cc(N)ccc32)c(Br)c1 73642509 FLGHCDXSXZVRLP-UHFFFAOYSA-N 402.292 3.493 0 40 HGAB COCCN(CC(=O)N[C@@H]1CCC[C@@H]1OCc1ccccc1)C(=O)OC(C)(C)C 84199899 LEWXLJWHYWEMJO-MOPGFXCFSA-N 406.523 3.124 0 40 HGAB O=C1NCCN1Cc1ccccc1NS(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 95464671 FYXGGJKNFLFHMI-UHFFFAOYSA-N 417.384 3.171 0 40 HGAB CC(=O)Nc1c[nH]nc1[C@H]1CCCN(C(=O)c2cnc(OC(C)C)c(Cl)c2)C1 95998629 ORSUOZLKZBRUDU-ZDUSSCGKSA-N 405.886 3.224 0 40 HGAB CC[C@@](NC(=O)Cn1c(COc2ccccc2)nc2ccccc21)(C(N)=O)C(C)C 96005958 AFBQUUXSKLBXJQ-QHCPKHFHSA-N 408.502 3.022 0 40 HGAB O=C(c1cc2ccccc2oc1=O)N1CCC(S(=O)(=O)c2ccc(F)cc2)CC1 96099448 OSAXLYQXDFULSB-UHFFFAOYSA-N 415.442 3.011 0 40 HGAB COc1cc([C@H]2SCC(=O)Nc3c2c(O)nn3C2CCSCC2)ccc1O 96118362 MSWVMJGIBFALMG-MRXNPFEDSA-N 407.517 3.146 0 40 HGAB Cc1nn(C)c(C)c1Cc1ccc(NC(=O)[C@H](Cc2ccccc2)n2cnnn2)cc1 96223359 JMDVXWRTQYDLNU-QFIPXVFZSA-N 415.501 3.037 0 40 HGAB Cc1[nH]n(-c2nc3ccccc3s2)c(=O)c1[C@H]1CC(=O)N(c2ccccc2)C1=O 102721078 JXUYGVUCRYINGY-CQSZACIVSA-N 404.451 3.131 0 40 HGAB COc1cccc(N([C@H](C)C(=O)N[C@@H](C)c2ccc(C)c(C)c2)S(C)(=O)=O)c1 220185271 ADYXWEYGWXRAOL-DLBZAZTESA-N 404.532 3.344 0 40 HGAB CC[C@@H](C(=O)Nc1cccc(C(=O)OC)c1)N(c1cc(C)cc(C)c1)S(C)(=O)=O 220574193 WFTSLCAZKXWEEH-IBGZPJMESA-N 418.515 3.273 0 40 HGAB COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)N[C@H](C)c1cc(C)ccc1C 223170811 MUAJUQMBYPSDNV-QGZVFWFLSA-N 418.559 3.372 0 40 HGAB Cc1cc(C(=O)NCCOc2ccc(C(C)(C)C)cc2)ccc1N(C)S(C)(=O)=O 223656210 KBHJLMWIXMFGMD-UHFFFAOYSA-N 418.559 3.497 0 40 HGAB Cc1ccc(C)c(OCCNC(=O)[C@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)c1 223999704 ZINPARSMHBNDDJ-INIZCTEOSA-N 424.950 3.307 0 40 HGAB Cc1cccc(OCCNC(=O)CCCN(c2ccccc2Cl)S(C)(=O)=O)c1 224668619 ZQEHRBSDOTVEHB-UHFFFAOYSA-N 424.950 3.390 0 40 HGAB CN([C@@H](C(=O)Nc1ccc(N2CCCCC2)cc1)c1ccccc1)S(C)(=O)=O 224979035 FRGMDDNFHBCDSK-HXUWFJFHSA-N 401.532 3.248 0 40 HGAB O=C1CCC(=O)N1c1ccc(S(=O)(=O)Nc2ccc3c4c(cccc24)CC3)cc1 225090840 JTZYTLCYDOILML-UHFFFAOYSA-N 406.463 3.393 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCSCc3ccco3)C2)cc1 225518622 ATHWGFBMUIFAKX-QGZVFWFLSA-N 422.572 3.038 0 40 HGAB COc1ccc(NC(=O)C2(S(=O)(=O)N(C)c3ccccc3)CCCC2)cc1OC 225948564 WKMBTPGSPBBGIM-UHFFFAOYSA-N 418.515 3.421 0 40 HGAB COC(=O)Nc1ccc(S(=O)(=O)NCc2cncc(-c3cccs3)c2)cc1 238951625 XAYFFPLAQYVYNA-UHFFFAOYSA-N 403.485 3.467 0 40 HGAB COc1ccc(CN2C[C@@H]3CN(C(=O)c4ccc(F)cc4)CCN3C(C)(C)C2)cc1 253405363 SEMKPEXIAGRAKY-OAQYLSRUSA-N 411.521 3.255 0 40 HGAB biogenic,in-vitro Cc1nc([C@H]2CCN(C(=O)COC(C)C)C2)nc2c1CCC(=O)N2Cc1ccccc1 257258189 KSSXOUQXBIAJNK-IBGZPJMESA-N 422.529 3.005 0 40 HGAB Cc1cc(Nc2cc(CC3CCN(C(=O)COc4ccccc4F)CC3)ncn2)[nH]n1 257277385 NXTSVBGRESWZPK-UHFFFAOYSA-N 424.480 3.251 0 40 HGAB COCCN1CC[C@@]2(c3ccccc3)CCN(C(=O)c3ccc(OC)cc3)[C@H]2CC1=O 306134021 NCAYIOCILMELLC-DHLKQENFSA-N 422.525 3.117 0 40 HGAB COc1ccc(NC(=O)c2cccc(-n3ccnc3S(C)(=O)=O)c2)cc1Cl 390827958 MMGWHWLKADOPMA-UHFFFAOYSA-N 405.863 3.190 0 40 HGAB COc1ccc(S(=O)(=O)N(CC(=O)NCCC(C)C)c2ccc(C)cc2)cc1 409262527 FRLUHAJRBFPJJJ-UHFFFAOYSA-N 404.532 3.361 0 40 HGAB CN1C(=O)c2cccc3c(S(=O)(=O)Nc4ccc5c(C(=O)O)c[nH]c5c4)ccc1c23 512731071 WKMRSQUUAPNCIH-UHFFFAOYSA-N 421.434 3.410 0 40 HGAB COC(=O)Cc1cccc(S(=O)(=O)N2CCC[C@@H]2Cc2ccccc2Cl)c1 568684094 SLSJBQSAVAFPFG-QGZVFWFLSA-N 407.919 3.451 0 40 HGAB NC(=O)C[C@]1(COc2cccc(Cl)c2)CN(Cc2cccc3[nH]ccc23)CCO1 585272263 MQNHLCSXEOJGBT-JOCHJYFZSA-N 413.905 3.347 0 40 HGAB COC(=O)c1cccn(CC(=O)N[C@@H](c2ccccc2)c2cc3ccccc3o2)c1=O 1124570573 XRBKFZAEZAXQRP-QFIPXVFZSA-N 416.433 3.287 0 40 HGAB COc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1OC 678079 COUVAXBSCMRTOL-UHFFFAOYSA-N 419.484 3.213 0 40 HGAB CC[C@H](OC(=O)[C@@H]1CC(=O)N(c2ccc(C(=O)OC)cc2)C1)C(=O)c1ccccc1 993342 OPMHVQVXTJAXTB-MJGOQNOKSA-N 409.438 3.031 0 40 HGAB CC(C)(C)[C@H]1CCc2c(sc3nnn(CC(=O)N4CCCCCC4)c(=O)c23)C1 1784929 SCWDVFNEWUAPCJ-AWEZNQCLSA-N 402.564 3.407 0 40 HGAB C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@@H](CN4CCN(c5ccccc5)CC4)[C@H]3[C@@H](O)[C@@]21C 2152824 MAJIMOBMGHQQSS-AMBFMMJXSA-N 410.558 3.094 0 40 HGAB biogenic CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2cc(C)nn2-c2ccccc2)c1 3242583 QZXUFEYOLPTCNW-UHFFFAOYSA-N 412.515 3.464 0 40 HGAB CC(C)(C)NC(=O)CSc1nc2cc(S(=O)(=O)N3CCCCC3)ccc2o1 3429524 CWQTZTODVPYZQY-UHFFFAOYSA-N 411.549 3.009 0 40 HGAB COc1ccccc1S(=O)(=O)N(C)S(=O)(=O)c1cc(Cl)ccc1Cl 3504181 OHERTLQXEWCOHJ-UHFFFAOYSA-N 410.300 3.011 0 40 HGAB COc1cccc(C(=O)NC(=S)Nc2ccc(NC(=O)C(C)C)c(OC)c2)c1 4122659 QIMCVVCMGGGJFN-UHFFFAOYSA-N 401.488 3.425 0 40 HGAB CCOc1cccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CCN(C)C)c1 4337870 IJHXCWYYZGJBJH-HXUWFJFHSA-N 410.445 3.438 0 40 HGAB COCCSc1nnc(NC(=O)c2cc(Cl)c(NC(C)=O)cc2OC)s1 4815791 RVMODYRGUXIMBV-UHFFFAOYSA-N 416.912 3.149 0 40 HGAB CN(C)c1ccc(NC(=O)CN2[C@H]3CCC[C@@H]2CC(NC(=O)c2ccco2)C3)cc1 4858543 SAUGQHIEDFLKQN-CTXDPNEZSA-N 410.518 3.100 0 40 HGAB CC(C)(C)NC(=O)CN(C(=O)CNC(=O)c1cccs1)c1ccccc1Cl 4861367 MXFRCSRAKWPZMD-UHFFFAOYSA-N 407.923 3.079 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)cc1 5172263 ONKDSPICQZRFHX-UHFFFAOYSA-N 413.326 3.449 0 40 HGAB COc1ccc(OC)c(C[C@@H](C(=O)Nc2cccc3ccccc23)c2nn[nH]n2)c1 5483515 LPJLKLIEXZSNMS-GOSISDBHSA-N 403.442 3.335 0 40 HGAB CCCC(=O)N1CCC(c2nc(O)c3nnn(Cc4cccc(Cl)c4)c3n2)CC1 5642749 HQDDSBWDLFGJHL-UHFFFAOYSA-N 414.897 3.135 0 40 HGAB O=C(CSc1ccc(S(=O)(=O)N2CCCC2)cn1)Nc1ccc2c(c1)CCC2 5704166 BMGUSXWIQMONIO-UHFFFAOYSA-N 417.556 3.086 0 40 HGAB CN(C)S(=O)(=O)c1cccc(NC(=O)COc2ccc(Cl)cc2Cl)c1 6510244 OYIKWFKNWBTIKQ-UHFFFAOYSA-N 403.287 3.261 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)COc2ccccc2C)c1 6560841 DFHIQGXMLDMFTE-UHFFFAOYSA-N 406.504 3.052 0 40 HGAB CCOc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2N[C@@H](C)COC)cc1 6653278 CLHRPSHQPCSYCJ-AWEZNQCLSA-N 416.503 3.276 0 40 HGAB CCOc1ccc(C(=O)NC(=S)Nc2sc3c(c2C(N)=O)CC[C@@H](C)C3)cc1 6656762 UCAWBIQQGAYHHV-LLVKDONJSA-N 417.556 3.497 0 40 HGAB Cc1c(CC(=O)N2CCN(c3ccccc3)CC2)c(=O)oc2cc(O)c(Cl)cc12 6660811 KCNYNNFEZOVPBD-UHFFFAOYSA-N 412.873 3.352 0 40 HGAB CCCOc1cccc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCCO)c1 6752899 JGFJJAYMDYWLQC-JOCHJYFZSA-N 407.470 3.499 0 40 HGAB Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)N3CCCc4ccccc43)s2)c1 6817953 IARJARKZDMOSJN-UHFFFAOYSA-N 414.512 3.240 0 40 HGAB O=C([C@@H]1CC(=O)N(c2ccccc2F)C1)N1CCN(c2ccccc2Cl)CC1 7106171 KUDLYIPNQUZQIU-OAHLLOKOSA-N 401.869 3.181 0 40 HGAB CCCNC(=O)[C@@H]1CN(CC(=O)Nc2cc(Cl)ccc2F)c2ccccc2O1 7275558 SQNYMIQODXDXNO-SFHVURJKSA-N 405.857 3.211 0 40 HGAB O=C(OCc1nc(-c2cccs2)no1)C1CCN(C(=O)c2cccs2)CC1 7595027 RTQQQNHJNHBTIW-UHFFFAOYSA-N 403.485 3.455 0 40 HGAB CCOC(=O)N1CCc2c(sc(NC(=O)c3cc4ccccc4o3)c2C(N)=O)C1 7613761 YDPQXFIZNLQCLQ-UHFFFAOYSA-N 413.455 3.360 0 40 HGAB C[C@@H](NC(=O)CSc1nnc(C2CC2)n1C1CC1)c1ccc2c(c1)OCCO2 7905237 OCNOATVLOCSOPX-GFCCVEGCSA-N 400.504 3.231 0 40 HGAB CCN(CCNC(=O)CSc1nc2sccc2c(=O)[nH]1)c1cccc(C)c1 8456978 QUYFZRSEGUNQNZ-UHFFFAOYSA-N 402.545 3.028 0 40 HGAB Cc1ccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)c(C)c1 8480887 LCWZKJLLOUUPSQ-QGZVFWFLSA-N 402.516 3.494 0 40 HGAB COc1ccc(CNC(=O)[C@H](C)NC(=O)c2cc3c([nH]c4ccccc43)c(C)n2)cc1 8490847 GFPRXJRISAWDQG-HNNXBMFYSA-N 416.481 3.468 0 40 HGAB biogenic Cc1nn(-c2ccc(C(C)C)cc2)c(C)c1[C@@H]1C=C[C@@H](NC(=O)COCC(=O)O)C1 8623858 SXDBMNRWRAZFGY-RTBURBONSA-N 411.502 3.242 0 40 HGAB biogenic,in-vitro COc1cccc(NC(=O)CSc2nc(CC(=O)NC3CCCC3)cs2)c1 8850874 SIZVYATZGSPKPI-UHFFFAOYSA-N 405.545 3.484 0 40 HGAB O=C(CSc1nc2cc(Br)cnc2[nH]1)Nc1ccc2c(c1)OCCO2 9308495 IZWYVUPPYOIAJT-UHFFFAOYSA-N 421.276 3.222 0 40 HGAB C[C@@H](NC(=O)CSc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)c1ccccc1 9377785 JOSCAOFRDBOIJJ-CQSZACIVSA-N 405.483 3.078 0 40 HGAB O=C(Nc1nccs1)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 9508842 RCVRJCPPPJMAFE-UHFFFAOYSA-N 419.450 3.201 0 40 HGAB CCOc1ccccc1CCCNC(=O)CN(c1cccc(C)c1C)S(C)(=O)=O 10110945 XONXNQZKDATTFX-UHFFFAOYSA-N 418.559 3.217 0 40 HGAB C[C@H](NC(=O)CN(c1ccccc1)S(=O)(=O)N(C)C)c1ccc(C(C)(C)C)cc1 10111981 SXIGOGLKKVIACO-KRWDZBQOSA-N 417.575 3.474 0 40 HGAB CCCc1ccc(NC(=O)CN2C(=O)N[C@](C)(c3cc(F)ccc3F)C2=O)cc1 11008944 GPJBASPWWRSUKJ-OAQYLSRUSA-N 401.413 3.323 0 40 HGAB Fc1ccc(CSc2nnc(N3CCOCC3)n2C[C@@H]2CCCO2)c(Cl)c1 11760143 UVPFSVWZYVGTML-HNNXBMFYSA-N 412.918 3.379 0 40 HGAB CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCCN(C(=O)c4cnn(C)c4)C3)cc2N1 12183578 LJJIUDYLPIZKMP-JGGQBBKZSA-N 410.444 3.334 0 40 HGAB Cc1ccc(NC(=O)Cn2nc(C)c3cnn(-c4ccc(F)cc4)c3c2=O)c(C)c1 12228247 HCDBKYMHEPZKPT-UHFFFAOYSA-N 405.433 3.285 0 40 HGAB O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1ccc2c(=O)n3c(nc2c1)CCCCC3 12761159 AEUJGJHFYZAVQR-FQEVSTJZSA-N 416.525 3.127 0 40 HGAB O=c1[nH]c2ccc(S(=O)(=O)N3CCc4sccc4[C@H]3c3ccccc3)cc2[nH]1 12770579 NOAZPWXUSSOHIW-LJQANCHMSA-N 411.508 3.254 0 40 HGAB COCC(=O)Nc1nc2n(n1)[C@H](c1ccc(OC)cc1)C[C@H](c1ccc(OC)cc1)N2 13127419 CHKWJTCAEYFHKQ-MOPGFXCFSA-N 423.473 3.027 0 40 HGAB Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCCCN2CCCCC2)cc1 13676294 MKISILVGRAFSDR-UHFFFAOYSA-N 415.559 3.402 0 40 HGAB CC(C)Cc1nc2oc3c(=O)n(CC(=O)NCc4ccco4)cnc3c2c2c1CCC2 13689518 NBYLQWLZZLTUKF-UHFFFAOYSA-N 420.469 3.134 0 40 HGAB CC[C@H](C(=O)NCc1ccccc1OC)N(c1ccc(C)c(C)c1)S(C)(=O)=O 13716292 FJJLGVBNBSGBAT-LJQANCHMSA-N 404.532 3.173 0 40 HGAB CC1=NN(C(=O)c2ccn(COc3ccc(Cl)c(C)c3)n2)[C@](O)(C(F)(F)F)C1 13960045 UGVGAZWLAPWEIA-MRXNPFEDSA-N 416.787 3.354 0 40 HGAB COc1ccc(OC)c(CN2CCN(C(=O)CCC(=O)c3cccs3)CC2)c1 14119267 AJLPBFNQTJZOHN-UHFFFAOYSA-N 402.516 3.073 0 40 HGAB COc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc(Cn3cccn3)cc2)cc1OC 14150053 DBVKNTFJAXMRKF-OAHLLOKOSA-N 409.442 3.133 0 40 HGAB CSc1ccccc1NC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 15306042 LIFZYXVQVWKFIF-UHFFFAOYSA-N 420.556 3.001 0 40 HGAB Cc1ccc(N2C(=O)[C@H](C)NC2=S)cc1S(=O)(=O)Nc1ccccc1Cl 15569899 UIABAWXKQVYLJS-NSHDSACASA-N 409.920 3.059 0 40 HGAB CC(C)N(Cc1ccccc1)C(=O)c1ccc(N2C(=O)[C@H](C)CS2(=O)=O)cc1 15842799 KLTLINJRWAMGBY-MRXNPFEDSA-N 400.500 3.050 0 40 HGAB C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)/C=C/c3ccc(F)cc3)cc2)C[C@@H](C)O1 15916495 ZAGLDGFBWXZKAC-JAOWYYBVSA-N 418.490 3.276 0 40 HGAB COc1ccc([C@@H](NC(=O)Cc2ccc(-n3nnnc3C)cc2)c2ccccc2)cc1 19288436 MCQOTXJTHBLJFZ-DEOSSOPVSA-N 413.481 3.428 0 40 HGAB CCN1CCN(C(=O)c2cc[nH]n2)C[C@@H](Cc2ccc(-c3ccccc3F)cc2)C1=O 19527346 JZZDAKXUBXLSPP-LJQANCHMSA-N 420.488 3.379 0 40 HGAB CCOc1ccccc1-c1nc(Cn2c(=O)c3c(C)cc(C)nc3n(C)c2=O)c(C)o1 19625569 XONYJFWANIAGKV-UHFFFAOYSA-N 420.469 3.122 0 40 HGAB Cc1ncc(C(=O)Nc2ccccc2)c([C@@H]2CCCCN2C(=O)c2cnccn2)n1 19766500 QCTHMNJDMTWJII-IBGZPJMESA-N 402.458 3.195 0 40 HGAB COc1ccc(NC(=O)c2nnn(-c3ccc(OC(F)F)cc3)c2C)cc1OC 19911300 LUDLBVWWRBLRRT-UHFFFAOYSA-N 404.373 3.447 0 40 HGAB CC[C@H](NC(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O)c1ccc(OC)cc1 20042919 MKMNRPIANNFEML-FQEVSTJZSA-N 404.532 3.346 0 40 HGAB O=c1c2sc3nc(N4CCOCC4)c4c(c3c2ncn1-c1ccccn1)CCCC4 20189476 UHPHYNXMSWIDQF-UHFFFAOYSA-N 419.510 3.106 0 40 HGAB COc1ccc(Cl)cc1N([C@@H](C)C(=O)N(C)C1CCCCC1)S(C)(=O)=O 20455952 KDPXVSIOBMPZHS-ZDUSSCGKSA-N 402.944 3.294 0 40 HGAB CC(=O)N1CCN([C@@H](C(=O)O)c2c[nH]c3ccc(OCc4ccccc4)cc23)CC1 20714368 IELOLKLQQRBLMB-JOCHJYFZSA-N 407.470 3.037 0 40 HGAB CCN(CC)S(=O)(=O)c1cc(Cl)ccc1OCC(=O)NCc1ccc(C)cc1 22248479 VKOQVTDHYVGFAA-UHFFFAOYSA-N 424.950 3.374 0 40 HGAB CCc1ccc(N(CC(=O)N[C@H]2CC(C)(C)Oc3ccccc32)S(C)(=O)=O)cc1 22361667 ACJPVYMLRNTWBZ-IBGZPJMESA-N 416.543 3.434 0 40 HGAB Cc1ccc(-c2noc(CN3CCN(CC(=O)Nc4cccc(C)c4C)CC3)n2)cc1 22804564 PZHVEVYHDLCEPK-UHFFFAOYSA-N 419.529 3.418 0 40 HGAB NC(=O)CSc1ccccc1C(=O)Nc1cc2c(cc1Br)OCCO2 23193412 ZGEFVCSGTIJGHA-UHFFFAOYSA-N 423.288 3.050 0 40 HGAB O=C(CCc1nc(-c2cccs2)no1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 23989956 GZXFZOSNEYRTPP-UHFFFAOYSA-N 424.526 3.010 0 40 HGAB CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCN(c2ccccc2)CC1 24363191 XXWSCKBBQNGONR-NRFANRHFSA-N 409.530 3.471 0 40 HGAB CC1(C)NC(=O)N(CCCC(=O)N(Cc2cccs2)Cc2cccs2)C1=O 24467161 GLKQTOKNRXLILS-UHFFFAOYSA-N 405.545 3.449 0 40 HGAB Cc1ccc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccccc2F)nc1 24987039 HXLLGGCFEZVCLV-SFHVURJKSA-N 413.474 3.057 0 40 HGAB O=C(NC[C@H]1COc2ccccc2O1)C1=Cc2cc(Br)ccc2OC1 25075583 CURFQQJGSDKZBT-HNNXBMFYSA-N 402.244 3.181 0 40 HGAB CCOc1ncccc1NC(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 27586069 ZEZKBZXZZZZZIM-LBPRGKRZSA-N 404.264 3.234 0 40 HGAB COCCCNC(=O)c1ccccc1NC(=O)c1ccc(Cn2ccnc2C)cc1 30941979 IUFXPIHCAVXWMO-UHFFFAOYSA-N 406.486 3.258 0 40 HGAB Cc1nn(-c2ncnc3[nH]cnc23)c2c1[C@@H](c1cccc(OCC(C)C)c1)CC(=O)N2 31812107 QQMZHMCRRAQUSR-MRXNPFEDSA-N 417.473 3.356 0 40 HGAB C[C@H](NC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCC3)c1nc2ccccc2[nH]1 32738297 QUOBHCWLJAIOKU-AWEZNQCLSA-N 401.470 3.490 0 40 HGAB Cc1ccc(NC(=O)[C@@H]2CCCN(c3cnccn3)C2)cc1I 32777408 WNBSWPGLBJPRNE-CYBMUJFWSA-N 422.270 3.245 0 40 HGAB O=C(Nc1cccc(OC(F)(F)F)c1)[C@H]1CCCN1S(=O)(=O)c1ccccc1 32796029 SIZLUSLICVMEPE-MRXNPFEDSA-N 414.405 3.377 0 40 HGAB Cc1nn(-c2ccccc2)c(C)c1CNC(=O)NCCc1ccc2c(c1)OCCO2 32802098 FHTUJSVNCXZZJP-UHFFFAOYSA-N 406.486 3.302 0 40 HGAB Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N(C)c3nc4ccccc4s3)C2=O)cc1 32899286 UUIWPMDGDDEHAR-NRFANRHFSA-N 408.483 3.035 0 40 HGAB CC(=O)c1cccc(NS(=O)(=O)c2ccc(I)cc2)c1 33858583 BIALXAZQFIOOJI-UHFFFAOYSA-N 401.225 3.295 0 40 HGAB Cc1cc(C)c(C)c(S(=O)(=O)NCCN2CCO[C@H](c3ccccc3)C2)c1C 36700133 DSVKXKZDVDOYOW-NRFANRHFSA-N 402.560 3.272 0 40 HGAB CCOc1ccccc1N1CCN(C(=O)c2ccc(OCc3nccn3C)cc2)CC1 40119755 XMTZCLKYBGCIIE-UHFFFAOYSA-N 420.513 3.360 0 40 HGAB CCCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2cccc(OCc3ccccn3)c2)C1 40133705 BOSYSLOZAKUCKP-QGZVFWFLSA-N 417.531 3.051 0 40 HGAB C[C@H](Sc1nccc(C(F)(F)F)n1)C(=O)N1CCN(Cc2ccccc2)CC1 41896430 MLCOWHGGHLIOOY-AWEZNQCLSA-N 410.465 3.320 0 40 HGAB COc1cc(C(=O)N2CCC(N3CCNC3=O)CC2)cc(Cl)c1OCC(C)C 54605047 BJECRVBEYUVQJZ-UHFFFAOYSA-N 409.914 3.013 0 40 HGAB Cc1nccn1-c1ccccc1CNC(=O)Nc1cccc(-c2nnnn2C2CC2)c1 58155765 ZNWFVZWJFBKISV-UHFFFAOYSA-N 414.473 3.491 0 40 HGAB Cc1cc(OCC(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)no1 58172433 KNBHNKXYWQTLNQ-UHFFFAOYSA-N 406.486 3.323 0 40 HGAB CC(=O)CCc1ccc(O[C@H](C)C(=O)Nc2ccccc2N2CCN(C)CC2)cc1 62865418 MUODDFZWMCPLGQ-LJQANCHMSA-N 409.530 3.366 0 40 HGAB O=C(Cn1nc(N2CCC(Cc3ccccc3)CC2)ccc1=O)Nc1ccccc1 71284112 VNSRQLDEQUPPNN-UHFFFAOYSA-N 402.498 3.341 0 40 HGAB CCc1noc(-c2ccnc(-n3cnc(C(=O)N[C@@H](C)c4ccc(OC)cc4)c3)c2)n1 71768549 SESNVIYEOMWBJI-AWEZNQCLSA-N 418.457 3.379 0 40 HGAB CCCCN(C)S(=O)(=O)N1CCC2(CC1)C[C@H]2c1nnc(-c2ccccc2)o1 71889708 VWRXDWSKVLJBOG-KRWDZBQOSA-N 404.536 3.283 0 40 HGAB Cn1cnc(S(=O)(=O)N2CCC[C@H](c3cccc(-c4cccc(F)c4)n3)C2)c1 72350314 VRLOURYWYLKYIS-INIZCTEOSA-N 400.479 3.190 0 40 HGAB O=C(Oc1cccnc1Br)[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 89773177 UYJNZNJHBDXOPN-CQSZACIVSA-N 421.266 3.370 0 40 HGAB O=C(Oc1cccnc1Br)[C@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 89773179 UYJNZNJHBDXOPN-AWEZNQCLSA-N 421.266 3.370 0 40 HGAB C[C@](O)(CNc1ccc2cc(Br)cc(Cl)c2n1)CN1CCOCC1 95988687 BLXWHZRYENFKQH-KRWDZBQOSA-N 414.731 3.146 0 40 HGAB O=c1cccc2n1C[C@@H]1C[C@@H]2CN([C@@H](c2ccccc2)c2nnnn2-c2ccccc2)C1 100744298 MTAIYTIOQSSQHB-FPGHNAPASA-N 424.508 3.033 0 40 HGAB O=C(Nn1c(S)nc2ccccc2c1=O)OCc1cccc(Br)c1 102229079 SLZCSKDWJBHZPH-UHFFFAOYSA-N 406.261 3.328 0 40 HGAB CCOc1ccccc1N(CCCC(=O)Nc1ccc(OC)cc1)S(C)(=O)=O 113961832 SGIOEMQCVMVLPI-UHFFFAOYSA-N 406.504 3.279 0 40 HGAB CS(=O)(=O)N(CCCC(=O)NCc1ccccc1Cl)c1ccc(F)c(F)c1 113965576 FDPCXKSRQYFOEE-UHFFFAOYSA-N 416.877 3.481 0 40 HGAB CC[C@@H](C(=O)N[C@H](C)COc1ccc(C)cc1)N(c1ccc(C)cc1)S(C)(=O)=O 219102162 DHKASGAMHVCVTG-NQIIRXRSSA-N 418.559 3.432 0 40 HGAB CCCc1nnc(NC(=O)[C@H]2CCC(=O)N2Cc2ccc(OC(F)F)cc2)s1 223415112 UXESTDOLXKZKLK-CYBMUJFWSA-N 410.446 3.222 0 40 HGAB CCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)COc1ccccc1OC 223683548 FLXPODWNZQBVDZ-OAHLLOKOSA-N 404.894 3.281 0 40 HGAB Cc1cccc(OCCNC(=O)[C@@H](C)N(c2cc(Cl)ccc2C)S(C)(=O)=O)c1 224044483 HYVZHRPHRMYFDW-MRXNPFEDSA-N 424.950 3.307 0 40 HGAB Cc1ccc(N([C@@H](C)C(=O)NCCOc2ccc(C)c(Cl)c2)S(C)(=O)=O)cc1 224138281 DNINZXLUDHMKOO-INIZCTEOSA-N 424.950 3.307 0 40 HGAB CC[C@@H](C(=O)NCCOc1ccccc1Cl)N(c1ccccc1)S(C)(=O)=O 224297237 QVKKENLROFFRER-KRWDZBQOSA-N 410.923 3.080 0 40 HGAB CC[C@H](C(=O)NCCOc1ccccc1C)N(c1ccc(C)c(C)c1)S(C)(=O)=O 224312737 YTGJGMYYMRLWBP-HXUWFJFHSA-N 418.559 3.352 0 40 HGAB CC[C@@H](C)NC(=O)c1ccc(OC)c(CN(C)S(=O)(=O)c2ccc(C)cc2)c1 224776495 QOPHRRIQJAFESG-MRXNPFEDSA-N 404.532 3.353 0 40 HGAB CCOC(=O)c1cccc(NC(=S)NCc2cc(OC)c(OC)c(OC)c2)c1 225573689 GXBXWDACMHZENW-UHFFFAOYSA-N 404.488 3.376 0 40 HGAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)Cc2cccc(Br)c2)c1 225616033 PYJCXHFDDXICNJ-UHFFFAOYSA-N 406.232 3.204 0 40 HGAB O=C(NCC1CCN(S(=O)(=O)C2CC2)CC1)c1ccc(-c2ccsc2)cc1 225619835 BQUQNAUYINHSTG-UHFFFAOYSA-N 404.557 3.349 0 40 HGAB CCc1ccccc1N(CN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@@H]34)[C@H]2C1=O)C(=O)C(F)(F)F 226401256 MRYOEHRLOWYCCK-QHNADIDASA-N 418.415 3.155 0 40 HGAB CCn1c(SCC(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)nnc1-c1cc(OC)cc(OC)c1 250453556 OBPBGWYAMQWDDH-SUNYJGFJSA-N 416.547 3.379 0 40 HGAB C[C@]12CCN(C(=O)c3cc[nH]n3)[C@H]1CCC(=O)N2Cc1ccc(C(F)(F)F)cc1 257202220 AKYYZZPGYJTWHM-LPHOPBHVSA-N 406.408 3.224 0 40 HGAB CC(=O)N1CCC[C@H]1C(=O)N1CC[C@@H]2O[C@@H]3c4ccccc4OC(C)(C)[C@H]3C[C@@H]2C1 257343377 ZSSKLUMRWSYSON-PZPBNIOOSA-N 412.530 3.163 0 40 HGAB CCOc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)C(C)C)c2ccccc2)cc1 260903947 YKQRSOCSZUWRFT-QGZVFWFLSA-N 404.532 3.441 0 40 HGAB CCN(CC)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(OC)cc2OC)cc1 408597551 ZCGGCSIQIWUPHI-UHFFFAOYSA-N 407.492 3.378 0 40 HGAB CC1=CC[C@@H]2C(=O)N(c3ccc(C(=O)Nc4cccc(C(=O)O)c4)cc3)C(=O)[C@@H]2C1 408679840 HEJYJPUFVSFISC-RBUKOAKNSA-N 404.422 3.483 0 40 HGAB CCOC(=O)C1=C(C)N=C(SCC(N)=O)N[C@@H]1c1cccc(Cl)c1Cl 408991608 QRZVTVHVFIJLDF-CQSZACIVSA-N 402.303 3.049 0 40 HGAB COc1ccc(C(=O)N[C@H]2C(=O)N/[N+](=C\c3ccccc3)[C@H]2c2ccc(C)cc2)cc1 409058590 TTZURWNJSDDGEE-AYHYUOJHSA-O 414.485 3.020 0 40 HGAB COc1cc2c(cc1C[C@H]1SC(=O)N(CCOc3ccc(F)cc3)C1=O)OCO2 409145184 MZXXGUJYDNAPKW-GOSISDBHSA-N 419.430 3.249 0 40 HGAB COC(=O)CN1C(=O)/C(=C/c2ccccc2OCc2ccc(Cl)cc2)NC1=S 409218891 XUXAPHCUUBWUPI-YBEGLDIGSA-N 416.886 3.150 0 40 HGAB CCn1cc(NC(=O)[C@@H]2CCC(=O)N(C)[C@@H]2c2ccc(C(F)(F)F)cc2)ccc1=O 524537918 FJKFLYGAGHQJKH-VQIMIIECSA-N 421.419 3.435 0 40 HGAB O=S(=O)(Nc1nnc(-c2ccccn2)s1)c1ccc(OC(F)(F)F)cc1 532393557 MWSPLXMCURUXGX-UHFFFAOYSA-N 402.379 3.300 0 40 HGAB Cc1ncc2c(n1)CC[C@@H](NC(=O)N1CCO[C@H](c3ccc(OC(F)F)cc3)C1)C2 535033556 WONHIYFCTYPEFU-APWZRJJASA-N 418.444 3.027 0 40 HGAB CN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)Cn2cc(Cl)cn2)cc1 573238767 VFLLSFPYFRKROJ-UHFFFAOYSA-N 410.927 3.128 0 40 HGAB O=C(NCCc1ccc(-c2ccsc2)s1)C(=O)NCc1ccc2c(c1)OCO2 575414088 RNIMLFWPAZCZPU-UHFFFAOYSA-N 414.508 3.180 0 40 HGAB COc1ccccc1N1C[C@@H](C(=O)Nc2cc(-c3cc(F)cc(F)c3)[nH]n2)CC1=O 1588135397 JVZFXNBTMHFMGT-ZDUSSCGKSA-N 412.396 3.355 0 40 HGAB COCc1ccc(-c2ccc3[nH]cc(C(N)=O)c(=N[C@@H](C)C4CCOCC4)c3c2)cn1 1772502159 DISRGUXSEDBDDN-HNNXBMFYSA-N 420.513 3.191 0 40 HGAB CC1=C2CC(=O)OC(C)(C)C2=CC[C@]2(C)C3=C(COC3=O)[C@](C)(C(=O)[C@H](C)O)C[C@@H]12 1772592106 ZUTWSWQKZGMWHN-LHHKYHKNSA-N 414.498 3.194 0 40 HGAB Cc1cc(C)n(-c2ccc(N3CCN(c4cccc(C(F)(F)F)n4)CC3)nn2)n1 1888932252 XNYOAFFBIMXEJZ-UHFFFAOYSA-N 403.412 3.020 0 40 HGAB CC(=O)N1CCN(Cc2ccc(OC(C)C)cc2)C[C@H](Cc2cn3ccnc3cn2)C1 2037838280 AMZMXGHBDXSEKV-NRFANRHFSA-N 421.545 3.040 0 40 HGAB Cc1ccc(-n2nc(C(=O)c3ccccc3)n3c(=O)c(Cc4ccccc4)nnc23)cc1 624425 JKIZTAOIVKFZQE-UHFFFAOYSA-N 421.460 3.405 0 40 HGAB COc1cc([C@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)O)c3N2)cc(OC)c1OC 718646 KWYRCMJZJUBVFA-ZWNOBZJWSA-N 401.341 3.267 0 40 HGAB CCOc1ccccc1N(CC(=O)N1CCCC1)S(=O)(=O)c1ccc(C)cc1 824212 WDWZFSOUBDGVTP-UHFFFAOYSA-N 402.516 3.211 0 40 HGAB CCC(C)(C)n1nnnc1[C@H](c1cc2cc(OC)ccc2[nH]c1=O)N1CCCCC1 910853 BDVCVWOSWRJBLA-IBGZPJMESA-N 410.522 3.244 0 40 HGAB C[C@H]1Cc2cc(-c3csc(NC(=O)c4ccncc4)n3)ccc2N1S(C)(=O)=O 1365992 OGCRQWKQZXSHHH-LBPRGKRZSA-N 414.512 3.168 0 40 HGAB CSCC[C@H](NC(=O)Cc1c(C)c2cc3c(C)coc3cc2oc1=O)C(=O)O 2099315 QVQHRPAJURWGDK-HNNXBMFYSA-N 403.456 3.021 0 40 HGAB biogenic Cc1ccc(CNC(=O)COC(=O)[C@@H](NC(=O)c2ccc(Cl)cc2)C(C)C)cc1 2639837 GIXNFHBKXRCOEW-FQEVSTJZSA-N 416.905 3.262 0 40 HGAB CC(C)(C)c1ccc(OCCCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1 2646415 GFPIMZYDZBXSEB-UHFFFAOYSA-N 418.559 3.149 0 40 HGAB COc1cc(CC(=O)OCC(=O)c2ccccc2Br)cc(OC)c1OC 3296144 AWPHREZIRVZZNS-UHFFFAOYSA-N 423.259 3.444 0 40 HGAB CCCCn1c2c(c(=O)n(C)c1=O)[C@H](c1ccc(OC)cc1)N1CCCCCC1=N2 3426069 RYDLVLYZMASOMD-FQEVSTJZSA-N 410.518 3.365 0 40 HGAB CCc1nnc(NC(=O)c2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)o1 3660414 HWIAAGPFXHCQJS-UHFFFAOYSA-N 412.471 3.026 0 40 HGAB CCCCNC(=O)[C@H]1O[C@@H]2OC3(CCCCC3)O[C@@H]2[C@H]2OC3(CCCCC3)O[C@@H]12 4027693 NNZJNJWNVYRGBO-ZMIKWESLSA-N 409.523 3.148 0 40 HGAB biogenic Cc1ccc2cc(CCNC(=S)NCCn3ccc4ccccc43)c(=O)[nH]c2c1 4033711 BHFUPURYENZTDH-UHFFFAOYSA-N 404.539 3.498 0 40 HGAB CCCN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccccc2OC)C1=O 4081979 RUZMHLJJQDFKOZ-WMZHIEFXSA-N 403.482 3.271 0 40 HGAB biogenic COC(=O)c1sc(NC(=O)CSc2nnc(-c3ccc(C)cc3)o2)nc1C 4161015 QPVYFRJMGIXJHC-UHFFFAOYSA-N 404.473 3.327 0 40 HGAB CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2cccc(Br)c2)C1=O 4477313 GHMVWFZVIZIPIK-IBGZPJMESA-N 416.275 3.245 0 40 HGAB COC(=O)c1ccc([C@@H]2SC[C@H]3C(=O)N(c4ccc(OC)cc4)C(=S)N23)cc1 4594064 QXYOBJWULSZLHS-WMZOPIPTSA-N 414.508 3.230 0 40 HGAB Cc1ccc(NC(=O)NC(=O)CN(C)CC(=O)Nc2c(C)cc(C)cc2C)c(C)c1 6606192 HQTWDFJUFKRUID-UHFFFAOYSA-N 410.518 3.447 0 40 HGAB O=C(Cc1ccc(-c2ccccc2)cc1)NCc1nnnn1-c1ccc(F)c(F)c1 9570934 TZAUKEZTUGFNNR-UHFFFAOYSA-N 405.408 3.466 0 40 HGAB CC(C)(C)c1ccc(N(CC(=O)Nc2ccc(C(=O)O)cc2)S(C)(=O)=O)cc1 10333041 MQPKGXAOXYIMFR-UHFFFAOYSA-N 404.488 3.087 0 40 HGAB CCN(CC(=O)Nc1c(Cl)cccc1Cl)S(=O)(=O)c1c(C)noc1C 10631106 JEVIHUYORRJADN-UHFFFAOYSA-N 406.291 3.248 0 40 HGAB CCCc1nnc(SCC(=O)N(CCC)Cc2nnc(-c3cccs3)o2)[nH]1 11467965 NVLWWDFPBKEWHO-UHFFFAOYSA-N 406.537 3.400 0 40 HGAB CCC(=O)N1CCCc2ccc(NS(=O)(=O)c3ccc(NC(C)=O)cc3C)cc21 12180581 RWBTZLCOQWYSAO-UHFFFAOYSA-N 415.515 3.443 0 40 HGAB COc1ccc([C@@H]2c3cccn3CCN2S(=O)(=O)c2cccs2)cc1OC 12361654 XEHJCHNUXPHWFN-LJQANCHMSA-N 404.513 3.361 0 40 HGAB Cn1ccnc1[C@H](NC(=O)CCN1C(=O)COc2ccccc21)c1ccc(Cl)cc1 12507811 LDKQBHSGDMJVNJ-OAQYLSRUSA-N 424.888 3.095 0 40 HGAB Cn1c(=S)n(CN(Cc2ccccc2)[C@H]2CCS(=O)(=O)C2)c2ccccc21 12515187 JSVBEASCKYIEOZ-KRWDZBQOSA-N 401.557 3.356 0 40 HGAB COc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NCCCOC(C)C)c2)cc1 12604594 TXZDZCWVOFUOFU-UHFFFAOYSA-N 420.531 3.349 0 40 HGAB Cc1ccc(/C=C/S(=O)(=O)NCC(=O)NCCCn2ccc3ccccc32)cc1 12607357 SEYGXNZLVRNUBC-FOWTUZBSSA-N 411.527 3.046 0 40 HGAB Cc1cc(N2CCN([C@H](C)C(=O)Nc3ccc(N(C)C)cc3)CC2)nc(C(C)C)n1 12639303 GFTSAZWJEBHGTO-GOSISDBHSA-N 410.566 3.124 0 40 HGAB CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CCc1ccco1 12765392 XVSYCBJBYTWMGS-UHFFFAOYSA-N 406.504 3.424 0 40 HGAB O=C(NCCc1ccc(Br)s1)[C@H]1CCCN(C(=O)c2ccco2)C1 12823448 IPYKYRHFCBDIAC-LBPRGKRZSA-N 411.321 3.315 0 40 HGAB C[C@H](NC(=O)CN1CCCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccccc1 12971274 NVFDLYYOWPPCIA-INIZCTEOSA-N 406.452 3.490 0 40 HGAB C[C@@H](c1ccccc1)N1C(=O)[C@H](CCC(=O)Nc2ccc3c(c2)OCCO3)N=C1O 13655928 MNNANYTVBNVIPD-YOEHRIQHSA-N 409.442 3.063 0 40 HGAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)CCCN1C(=O)c2ccccc2C1=O 13686837 HTNMPARHZCILNR-OAHLLOKOSA-N 407.470 3.230 0 40 HGAB COc1cccc(C(=O)CN(C(=O)c2ccccc2Cl)N2C(=O)CCCC2=O)c1 13857226 WYWASNYYCXSXER-UHFFFAOYSA-N 414.845 3.128 0 40 HGAB Cc1nn(Cc2ccc(Cl)cc2Cl)c2sc(C(=O)N3CCNC(=O)C3)cc12 14182871 LHIISMFDXVHSKZ-UHFFFAOYSA-N 423.325 3.333 0 40 HGAB COc1ccc(C(=O)NCCC2=CCCCC2)cc1S(=O)(=O)N1CCCCC1 14291795 TWHGJTAQMDKATO-UHFFFAOYSA-N 406.548 3.490 0 40 HGAB CCOC(=O)COc1ccc(/C=C2\NC(=S)N(C3CCCCC3)C2=O)cc1OC 15011306 TUNUDPASVWWCOV-WJDWOHSUSA-N 418.515 3.027 0 40 HGAB CC(C)Oc1ccc(NC(=O)c2ccc(N3C(=O)[C@H](C)CS3(=O)=O)cc2)cc1 15842966 YQPACJKIUCLDNH-CQSZACIVSA-N 402.472 3.039 0 40 HGAB CCc1ccc(NC(=O)COc2ccc(S(=O)(=O)NC3CCCC3)cc2)cc1 16161770 SLZCPNSNDHHAQZ-UHFFFAOYSA-N 402.516 3.487 0 40 HGAB Cc1cc(C)c(C(=O)[C@H](C)OC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)cc1C 16212906 KPNCOCVESQGZDV-ZDUSSCGKSA-N 409.891 3.341 0 40 HGAB CCCCOC(=O)c1ccc(NC(=O)CN(CC)S(=O)(=O)c2ccccc2)cc1 16639022 UUUZYJJBWKBRKA-UHFFFAOYSA-N 418.515 3.293 0 40 HGAB Cc1cccc(-c2noc(CSc3n[nH]c(=O)c4cc(-c5ccco5)nn34)n2)c1 16844163 ZWDMAJHZHHKYKX-UHFFFAOYSA-N 406.427 3.328 0 40 HGAB CC(C)C(=O)Nc1ccc(S(=O)(=O)NCC2(c3ccccc3)CCOCC2)cc1 16972029 IXROOIFVAREKGT-UHFFFAOYSA-N 416.543 3.308 0 40 HGAB CC(C)(C)OC(=O)NCCC(=O)Nn1cnc2scc(-c3ccccc3)c2c1=O 17172292 BSRNGHWPIBUZNU-UHFFFAOYSA-N 414.487 3.110 0 40 HGAB Cc1nn([C@H](C)C(=O)NCCc2c(C)n(C)c3ccccc23)c(=O)c2ccccc12 19658337 MAJIGDUZNRXUNR-QGZVFWFLSA-N 402.498 3.425 0 40 HGAB COc1cccc(-c2cnc(N(C)C)nc2[C@H]2CCCN2C(=O)c2cnc(C)cn2)c1 19689405 JYBAYBMZQNABGS-HXUWFJFHSA-N 418.501 3.294 0 40 HGAB Cc1ncc(C(=O)N2CCO[C@@H](c3nccnc3-c3cccc(Cl)c3)C2)c(C)n1 19693368 NIVDRMUUYRGIEN-GOSISDBHSA-N 409.877 3.418 0 40 HGAB COCCNC(=O)c1cc([C@@H]2CCN(C(=O)Cc3ccccc3)C2)nc2ccccc12 19754358 ZZTSRFFTTPLMCT-LJQANCHMSA-N 417.509 3.170 0 40 HGAB Cc1ccc(NC(=O)C[C@H]2N=C(Nc3nc(-c4ccccc4)cs3)NC2=O)cc1 19819627 QDUTUNQKMKJOML-MRXNPFEDSA-N 405.483 3.414 0 40 HGAB CC(=O)c1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccc(F)cc3)C2)c1 19863058 CBOWBGYUBGVDFE-GOSISDBHSA-N 418.490 3.209 0 40 HGAB Cc1ccc(SCCNC(=O)[C@H]2CCCN(S(=O)(=O)c3cccs3)C2)cc1 19868732 MZSXXBOKLANCGR-INIZCTEOSA-N 424.613 3.366 0 40 HGAB COc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)cc1OC 20462512 WMGIFHFERDCILH-UHFFFAOYSA-N 413.455 3.152 0 40 HGAB COc1ccc(CCNC(=O)c2ccccc2NC(=O)c2cccnc2)cc1OC 20761562 TWHNBFUWWYIUFJ-UHFFFAOYSA-N 405.454 3.324 0 40 HGAB biogenic CC(=O)COC(=O)COc1c(I)cc(Cl)c2cccnc12 20971040 MXXKWPHZMREUMD-UHFFFAOYSA-N 419.602 3.004 0 40 HGAB Cc1ccc(N(CC(=O)N[C@@H]2CC(C)(C)Oc3cc(C)ccc32)S(C)(=O)=O)cc1 22328017 KHAZOHWQHIXNHU-LJQANCHMSA-N 416.543 3.488 0 40 HGAB COC(=O)C[C@@H](NC(=O)COc1ccc(Br)cc1F)c1cccs1 22502296 LGPQUZLGTKYLEJ-GFCCVEGCSA-N 416.268 3.449 0 40 HGAB C[C@@H](c1nnc(-c2ccccc2)o1)N1CCN(CC(=O)Nc2cccc(F)c2)CC1 22933838 ZZVCLZIDXJZDCP-INIZCTEOSA-N 409.465 3.193 0 40 HGAB Cc1ccc(S(=O)(=O)N[C@H](C(=O)NCc2nc3ccccc3s2)C(C)C)cc1 23424681 DQTUYIVZEABJBW-IBGZPJMESA-N 417.556 3.224 0 40 HGAB Cc1ccc(SCC(=O)N2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 24388487 MRZOHJNLNIPTBL-UHFFFAOYSA-N 422.547 3.149 0 40 HGAB Cc1noc2nc(C3CC3)cc(C(=O)O[C@H](C(=O)N3CCOCC3)c3ccccc3)c12 25059930 HBVMLENZUMAPRP-FQEVSTJZSA-N 421.453 3.166 0 40 HGAB Cc1sc2nc(S[C@H](C)C(=O)N3CCNC3=O)n(C3CCCC3)c(=O)c2c1C 25714239 NOSLSHADIAFUSO-GFCCVEGCSA-N 420.560 3.222 0 40 HGAB COc1ccc([C@@H]2CCCN2S(=O)(=O)CCn2cnc3ccccc32)cc1OC 26233140 QZCGXVWNGAGPMB-SFHVURJKSA-N 415.515 3.220 0 40 HGAB C[C@@H](NC(=O)c1ccccc1NS(=O)(=O)c1ncn(C)c1Cl)c1ccccc1 26532572 HTVZCKDNQIYGCV-CYBMUJFWSA-N 418.906 3.365 0 40 HGAB CCCn1nc(C(=O)Nc2ccc(NC(=O)[C@@H]3CCCO3)cc2)c2ccccc2c1=O 30176100 UWQWNYUUVPZHHQ-IBGZPJMESA-N 420.469 3.176 0 40 HGAB COc1ccc(S(=O)(=O)NCc2ccc(F)cc2)cc1C(=O)N1CCC(C)CC1 30851333 FPABTCHSSGXQJN-UHFFFAOYSA-N 420.506 3.185 0 40 HGAB CCNC(=O)N[C@H]1CC[C@]2(C)CC[C@@H]([C@H](C)C(=O)N3CCCCC3)[C@H](O)[C@H]2[C@@H]1C 30884163 ZDRQWPVQLGSNIQ-KTRFUXAYSA-N 407.599 3.146 0 40 HGAB biogenic,in-vitro C[C@@H](NC(=O)COc1cccc(C(F)(F)F)c1)c1ccc(S(C)(=O)=O)cc1 31497425 BXHJACUGUZXDGK-GFCCVEGCSA-N 401.406 3.365 0 40 HGAB CCc1cccc(NS(=O)(=O)c2cc3c(cc2Br)NC(=O)CO3)c1 31666073 QQBKPTWYMQNQOU-UHFFFAOYSA-N 411.277 3.143 0 40 HGAB O=S(=O)(Oc1cccc(Cl)c1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 32755047 FNPCBRUBJKPPEJ-UHFFFAOYSA-N 415.920 3.282 0 40 HGAB Cc1ccc(OCc2nc(C(=O)N3Cc4ccccc4C[C@@H]3C(N)=O)cs2)cc1 32841635 WLBKDSFKNAZZJD-LJQANCHMSA-N 407.495 3.083 0 40 HGAB Cc1ccc(N2C[C@@H](C(=O)N3CCC(C(=O)c4ccc(O)cc4)CC3)CC2=O)cc1 32898895 MVBQLBAUGJRIFQ-IBGZPJMESA-N 406.482 3.175 0 40 HGAB O=C(C(c1ccccc1)c1ccccc1)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 33000014 KTVWAXQRUZRMEU-RTWAWAEBSA-N 413.539 3.013 0 40 HGAB CCn1ccc([C@@H](C)NC(=O)c2cc(-c3ccc(OC)cc3)nc3c2cnn3C)n1 36613260 BHRGHWLDHVOPHR-CQSZACIVSA-N 404.474 3.351 0 40 HGAB CCOc1ccc([C@H]2[C@@H](C(=O)Nc3ccccc3OC)[C@H](C)Nc3ncnn32)cc1 36701561 VWKQDISTZBJYHL-GKCIPKSASA-N 407.474 3.344 0 40 HGAB Cc1nc(N2CCOCC2)sc1C(=O)N[C@@H](CN1CCCCC1)c1ccccc1 36752358 VOFVVCARZWNFCJ-IBGZPJMESA-N 414.575 3.245 0 40 HGAB O=C(CCc1nnc(-c2ccccc2)o1)N1CCC[C@@H]1c1nnc2n1CCCCC2 40080244 IIPUVNLHOAGEBG-QGZVFWFLSA-N 406.490 3.351 0 40 HGAB O=C(Nc1nnc(Cc2ccccc2)s1)c1ccc(NC(=O)N2CCOCC2)cc1 40266895 KTZFVRFRUYZBGX-UHFFFAOYSA-N 423.498 3.245 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)N[C@@H](C)c1ccc(F)cc1 44884803 FAOJXROTVOFXBZ-AWEZNQCLSA-N 406.479 3.110 0 40 HGAB Cc1ccc([C@@H](CNS(=O)(=O)c2ccc(F)cc2Br)N(C)C)cc1 57995202 WUFIFEMGMZWQEJ-MRXNPFEDSA-N 415.328 3.478 0 40 HGAB C[C@H](CN1CCCC1=O)NC(=O)Nc1ccc(F)c(NC(=O)C2CCCCC2)c1 58309800 ZJGHFRMFARDLLQ-CQSZACIVSA-N 404.486 3.477 0 40 HGAB CN(C)c1ccc(C(=O)Nc2ccc(CC(=O)N3CCSCC3)cc2)cc1F 60306953 VHPSILHCZLDYEU-UHFFFAOYSA-N 401.507 3.262 0 40 HGAB Cc1cc(Nc2ncccn2)cc([C@@H]2CCCN(CC(=O)N3CCC(C)CC3)C2)n1 72374859 SXELRGYDGUVOBL-LJQANCHMSA-N 408.550 3.362 0 40 HGAB CC(=O)N1CCCC[C@@H]1c1nc2c(c(NCCOc3ccccc3C)n1)CCN(C)C2 72376591 WHGLZECSNIAWRC-OAQYLSRUSA-N 423.561 3.337 0 40 HGAB Brc1cnc2c(c1)c(I)nn2[C@H]1CCCCO1 95631088 DGCHNGCFSBVHHL-SECBINFHSA-N 408.037 3.498 0 40 HGAB O=S(=O)(c1ccccc1)[C@@H]1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)C1 96098140 XPXWNYJNHMHYKX-CQSZACIVSA-N 420.339 3.230 0 40 HGAB O=C(C1CCOCC1)N1C[C@H](OCc2nc3cc(C(F)(F)F)ccc3[nH]2)[C@H](F)C1 96112053 DCTIYNBKUZEIJH-CJNGLKHVSA-N 415.387 3.074 0 40 HGAB biogenic,in-vitro COC(=O)C[C@@H](c1cc(OC)c2c(c1)OCO2)c1c(O)n[nH]c1Cc1ccccc1 96114788 KYZKJTKGVMTQOB-HNNXBMFYSA-N 410.426 3.138 0 40 HGAB biogenic COc1ccc(-c2cc3c(O)nnc(CC(=O)Nc4cccc(F)c4C)n3n2)cc1 96397904 WIQMXLYQXIIFHW-UHFFFAOYSA-N 407.405 3.134 0 40 HGAB CC(C)(C)OC(=O)[C@H]1C(=O)C[C@@](C)(O)[C@H](C(=O)OC(C)(C)C)[C@@H]1c1ccccc1 101047689 QVFPDSCSUILPAI-SCYDXJQRSA-N 404.503 3.410 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3c4ccccc4C[C@H]3C)C2)cc1 105033927 ZRJKNGOTMWKYEQ-SJLPKXTDSA-N 414.527 3.074 0 40 HGAB CC(=O)O[C@@H]1C[C@H]2CCCC[C@]2(C)[C@H]2C[C@@H](OC(C)=O)[C@]3(C)CCC(=O)[C@@]3(O)[C@@H]21 118925115 OCASYMYIISJFFR-BHDADXJBSA-N 406.519 3.186 0 40 HGAB O=C(CN1c2ccc(F)cc2-c2ccccc2S1(=O)=O)N[C@@H]1C[C@@H]2CC[C@@H]1C2 216219935 LOBUYTFHSKPYSQ-HBUWYVDXSA-N 400.475 3.306 0 40 HGAB CS(=O)(=O)N(CC(=O)Nc1ccc(F)c(F)c1)c1ccc(C(F)(F)F)cc1 220046159 SFBSPIWUUPGCOT-UHFFFAOYSA-N 408.348 3.388 0 40 HGAB COc1ccc(CN(C(C)=O)[C@@H](Cc2ccccc2)C(=O)NCc2ccncc2)cc1 223260530 IGLOKGPWOADESO-DEOSSOPVSA-N 417.509 3.366 0 40 HGAB CC[C@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)COc1ccccc1Cl 223403958 JTVBHOBOSBHFBU-GOSISDBHSA-N 404.894 3.281 0 40 HGAB Cc1ccc(C)c([C@@H](C)NS(=O)(=O)c2nnc(NC(=O)c3ccccc3)s2)c1 223589361 TVORCXLISVSQQV-CQSZACIVSA-N 416.528 3.447 0 40 HGAB CC(C)(CCCNC(=O)c1cccc(I)c1)C1OCCO1 224965563 HDWOSXYABDWPNK-UHFFFAOYSA-N 403.260 3.200 0 40 HGAB S=C(Nc1nc(Sc2ncccn2)cc(N2CCCCCC2)n1)NC1CC1 226004114 FBUPKKIXBYYOCL-UHFFFAOYSA-N 401.565 3.247 0 40 HGAB Cc1nonc1COc1ccccc1C(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C 257299428 RQAOXJWCPOXVBS-GCUYEVCFSA-N 410.518 3.434 0 40 HGAB CCN(CC)CCCNC(=O)[C@H]1C[C@H]2CC[C@@]1(C)C[C@]21NC(=O)c2ccccc2N1 257307979 TUYHGGPPOAAHBO-DQHAIFDPSA-N 412.578 3.213 0 40 HGAB Cc1ccc(-c2coc3cc(O[C@@H](C)C(=O)O)cc(O[C@H](C)C(=O)O)c3c2=O)cc1 263583510 FFJMMBJPBRMULW-QWHCGFSZSA-N 412.394 3.472 0 40 HGAB COc1ccc(OC)c(NC(=O)[C@H](C)NS(=O)(=O)c2ccc3ccccc3c2)c1 408557671 HGARNDVVGVVJEE-AWEZNQCLSA-N 414.483 3.163 0 40 HGAB CCOC(=O)Nc1cc(S(=O)(=O)Nc2ccc(OC)c(OC)c2)ccc1OCC 408585737 IWWLFVALIUWGCB-UHFFFAOYSA-N 424.475 3.472 0 40 HGAB COc1ccc(Cl)cc1S(=O)(=O)N[C@H](C)C(=O)N[C@@H](C)CCc1ccccc1 408606913 MOKDYZQWKONWFS-LSDHHAIUSA-N 424.950 3.153 0 40 HGAB CCC[C@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(OCC)c(Cl)c2)C1 408617402 CUCKPOGMAGXJDZ-LSDHHAIUSA-N 416.971 3.444 0 40 HGAB Cc1ccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccc(F)cc3)[C@@H]2c2ccccc2)cc1 409052398 DOUKIGIQNHZFPB-NXTBZVMJSA-O 402.449 3.150 0 40 HGAB Cc1ccc(NC(=O)CSc2nnc(CNC(=O)Cc3ccccc3)n2C)c(C)c1 409163817 YGVMPLDBKFWUHK-UHFFFAOYSA-N 423.542 3.022 0 40 HGAB O=C(N1CCC[C@@H](n2cnc3ccccc3c2=O)C1)C1(c2ccccc2)CCOCC1 575617387 ORKSANQYTASJKJ-HXUWFJFHSA-N 417.509 3.308 0 40 HGAB C[C@H](CN1C[C@@H]2CN(S(=O)(=O)c3cc(F)cc(F)c3)CC[C@H]21)c1ccccc1 585108039 XKSOIVWCAUSGSI-QLVMHMETSA-N 406.498 3.463 0 40 HGAB Cc1cnc(Nc2cc(C[C@H]3CCCN(C(=O)/C=C/c4ccnn4C)C3)ncn2)s1 585291395 CBOGFRNYHDDGGT-SQRWCISFSA-N 423.546 3.213 0 40 HGAB COc1ccc(CC(=O)NC[C@@H]2[C@@H](C)C[C@@H]3[C@H]2CC(=O)N3Cc2ccccc2)cc1 1775963729 ASDFKTZXDAKMSV-AIZKBTNYSA-N 406.526 3.427 0 40 HGAB biogenic,in-vitro CCn1c(SCC(=O)NC2CCCCC2)nnc1[C@@H](C)NC(=O)c1ccccc1 661086 WNWTXZNUQPVJFX-OAHLLOKOSA-N 415.563 3.330 0 40 HGAB O=C(N/C(=C\c1ccccc1)C(=O)N1CCOCC1)c1ccccc1Br 2275053 UFVDRIWUKHFMQQ-JXAWBTAJSA-N 415.287 3.079 0 40 HGAB CCOC(=O)[C@H](C)Oc1cccc2c(=O)n(CC(=O)Nc3ccc(F)cc3)ccc12 2712295 YUAWFSHFPISJMM-AWEZNQCLSA-N 412.417 3.110 0 40 HGAB NC(=O)c1ccc(NC(=O)COC(=O)c2c3c(nc4ccccc24)CCCC3)cc1 3235808 PHVYTKJKZHPLAB-UHFFFAOYSA-N 403.438 3.008 0 40 HGAB CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)O[C@H](C)C(=O)Nc1cccc(Cl)c1 3340526 JSDBYYRACRTOOC-BFUOFWGJSA-N 400.862 3.184 0 40 HGAB O=C(CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O)c1ccc(Br)s1 3379886 PNGVMXHRNCFBDA-SFHVURJKSA-N 419.300 3.477 0 40 HGAB COc1cc(NC(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)cc(OC)c1OC 3467556 QBMINSVCBPQZLU-UHFFFAOYSA-N 420.771 3.185 0 40 HGAB COCCNC(=S)N(Cc1cccnc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O 4127643 GZMIHAIDWWCWQT-UHFFFAOYSA-N 410.543 3.063 0 40 HGAB CCCOc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccccc3C)CC2=O)cc1 4369281 XFTQHHCWPDCPTH-QGZVFWFLSA-N 410.470 3.319 0 40 HGAB O=C(Nc1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1)c1ccc[n+]([O-])c1 5602653 RIXVWMOJYWDDHB-UHFFFAOYSA-N 403.847 3.027 0 40 HGAB Cc1cc(Cl)c(C)c(S(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2)c1Cl 5602664 AEKGWBJDKIBVQT-UHFFFAOYSA-N 409.316 3.058 0 40 HGAB CCOC(=O)C1=C(C)N(C)[C@@]2(SC(C(=O)OC)=NN2c2cccc(C)c2)S1 6810034 WTUTUXWUOMPTHW-SFHVURJKSA-N 407.517 3.119 0 40 HGAB CCN(CC)C(=O)COc1ccc(S(=O)(=O)Nc2ccc(OC)cc2)cc1C 7361918 ZTDOYNQMCYJYNS-UHFFFAOYSA-N 406.504 3.052 0 40 HGAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)COc1cccc2c1OC(C)(C)C2 7689002 ZDZDAROOKNCMES-UHFFFAOYSA-N 415.442 3.221 0 40 HGAB CCCCn1c(N)c(N(C(=O)c2cc3ccccc3o2)C2CCCC2)c(=O)[nH]c1=O 7723793 BVZFYWKBSGIVJU-UHFFFAOYSA-N 410.474 3.255 0 40 HGAB C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)c3cc4ccccc4o3)cc2)C[C@@H](C)O1 8156405 PXICMEYWFQOIIX-HUUCEWRRSA-N 414.483 3.483 0 40 HGAB CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)N(C)Cc2cccc(Cl)c2)cc1 8225714 DSLSAPBUCXWOIH-OAHLLOKOSA-N 423.966 3.486 0 40 HGAB C[C@@H]1Cc2ccccc2N1C(=O)CN1C(=O)N[C@@](C)(c2cc3ccccc3o2)C1=O 8316411 IJEKWKVJLIFUDP-FATZIPQQSA-N 403.438 3.178 0 40 HGAB CC1CCC2(CC1)NC(=O)N(CC(=O)Nc1ccc(Cc3ccncc3)cc1)C2=O 8704641 BYMRSIHMZHPOQD-UHFFFAOYSA-N 406.486 3.112 0 40 HGAB O=C(Nc1nc2ccccc2[nH]1)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 8992399 APUBEVSXSUKGEQ-CYBMUJFWSA-N 418.906 3.256 0 40 HGAB O=C(CSc1ccccc1C(=O)NCc1ccncc1)Nc1ccc2c(c1)OCO2 9120681 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HPBDSRUTDYVEND-UHFFFAOYSA-N 400.500 3.035 0 40 HGAB COc1ccc2c(c1)[C@H]1C[C@@](C)(O2)N(C)C(=O)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 12438072 FYFHGMWBQDVCQU-YVWKXTFCSA-N 421.902 3.245 0 40 HGAB O=C(COC(=O)c1ccccc1NCCO)NC1c2ccccc2-c2ccccc21 12640255 NMWYUTWZQUQOCT-UHFFFAOYSA-N 402.450 3.134 0 40 HGAB O=S(=O)(c1ccc(Cl)cc1C(F)(F)F)N1CCN(c2ccccn2)CC1 12817456 PEPDEGPJYXIHBW-UHFFFAOYSA-N 405.829 3.265 0 40 HGAB COC(=O)CCn1c(S[C@@H](C)c2nc(C(C)(C)C)no2)nc2ccccc2c1=O 12857118 GSJDXFRHDLHGTG-LBPRGKRZSA-N 416.503 3.493 0 40 HGAB C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)c1ccccc1 12901294 KPECSSWZRAIJID-KRWDZBQOSA-N 412.555 3.453 0 40 HGAB Cc1ccc(C(=O)CCC(=O)NCC(=O)Nc2ccccc2Br)cc1 12941379 PZMLSHQZVJMLLN-UHFFFAOYSA-N 403.276 3.475 0 40 HGAB C[C@H](CCc1ccccc1)NC(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1 12975117 CMLDFRQLBHQRPW-QGZVFWFLSA-N 418.534 3.364 0 40 HGAB CN1CCCc2cc(CCNC(=O)C(=O)Nc3cccc(C(F)(F)F)c3)ccc21 13006895 KAUCXHGWJSXDSC-UHFFFAOYSA-N 405.420 3.385 0 40 HGAB CC(C)COC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OCC(C)C)[C@H]1c1ccc(F)cc1 13617404 XPJNTNUMQIGRLO-SRYPRDQNSA-N 422.493 3.264 0 40 HGAB COc1ccc([C@@H](CNC(=O)c2ccccc2N2CCCC2=O)N2CCCC2)cc1 14118079 DAVIYYSHNDIXCB-JOCHJYFZSA-N 407.514 3.389 0 40 HGAB CC(=O)Nc1ccc2c(COC(=O)c3cccc(C)c3NC(C)=O)cc(=O)oc2c1 14805293 BHMGKHWHHHNKKJ-UHFFFAOYSA-N 408.410 3.375 0 40 HGAB O=C(C[C@H]1CCCCN1S(=O)(=O)c1cccs1)NCCCc1ccccc1 15391321 ZVZMNJDWNCYEQV-GOSISDBHSA-N 406.573 3.430 0 40 HGAB C[C@H](Oc1ccccc1F)C(=O)N1CCC[C@@H]([C@@H]2C[C@H](C(F)F)n3ncnc3N2)C1 19078305 YHXIIMTXBUUORZ-LQKXBSAESA-N 423.439 3.114 0 40 HGAB Cc1ccn2c(CN3C[C@@H](c4cccnc4)[C@@]4(CCCCC(=O)N4)C3)c(C)nc2c1 19238151 HICKTCRAJLJVKG-GBXCKJPGSA-N 403.530 3.375 0 40 HGAB Cc1cc(C)c(C(=O)N2CCC(c3nc(C)c(-c4ccncn4)s3)CC2)c(=O)[nH]1 19566642 PTNCUDSWRWIOHD-UHFFFAOYSA-N 409.515 3.233 0 40 HGAB CNc1cc([C@H](Cc2c[nH]c3ccccc23)NC(=O)c2cc[nH]n2)nc(C2CC2)n1 19592114 PMZALDMBSIUEOA-SFHVURJKSA-N 401.474 3.314 0 40 HGAB COc1cccc(-c2ccc(NC(=O)CCc3c(C)[nH]c4nc(C)nn4c3=O)cc2)c1 19664470 BWSKGIQFNPKYMK-UHFFFAOYSA-N 417.469 3.281 0 40 HGAB CC(=O)N1CCc2nc([C@@H]3CCCCN3C(=O)CC3CCCC3)nc(N(C)C)c2C1 19710417 OSQDVZVUSMHBPM-FQEVSTJZSA-N 413.566 3.081 0 40 HGAB O=C(CN1CC[C@@H](c2cc(COc3ccccc3F)[nH]n2)C1)NC1CCCCC1 19738947 OXQHOHCYYJDVJM-MRXNPFEDSA-N 400.498 3.366 0 40 HGAB O=C(CSc1nnc2n1CCCCC2)NCc1ccccc1OC(F)(F)F 22067470 VEJZSQYFZLCKSN-UHFFFAOYSA-N 400.426 3.312 0 40 HGAB Cc1cccc(N(CC(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)S(C)(=O)=O)c1C 22340499 GWFPFUDXYPMBQA-GOSISDBHSA-N 416.543 3.488 0 40 HGAB CCOC(=O)c1ccc(NC(=O)c2ccc(C)c(NS(C)(=O)=O)c2)cc1Cl 22518756 QHAWYUBTQKULFL-UHFFFAOYSA-N 410.879 3.449 0 40 HGAB COc1cc(CNCC(C)(C)N2CCOCC2)ccc1OCc1csc(C)n1 22800178 ZOUNLJYFTGAOJM-UHFFFAOYSA-N 405.564 3.240 0 40 HGAB CC(C)c1ccc(NC(=O)[C@@H](C)N2CCN(CC(=O)N3CCCCCC3)CC2)cc1 22915564 MJOASNAIZXLQFX-HXUWFJFHSA-N 414.594 3.157 0 40 HGAB Cc1ccc(NC(=O)CN2CCN(CC(=O)N(C(C)C)C3CCCCC3)CC2)cc1 23296291 BIDBEJFEHBKHTA-UHFFFAOYSA-N 414.594 3.121 0 40 HGAB CS(=O)(=O)c1ccccc1C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 23684576 KWGCASDUSGXIIO-UHFFFAOYSA-N 412.433 3.071 0 40 HGAB COc1ccc([C@@H](NC(=O)c2cc(Cl)c3c(c2)OCCO3)c2nccn2C)cc1 24025690 QRYMLWGDCOYYNF-GOSISDBHSA-N 413.861 3.373 0 40 HGAB Cc1nn(C)c2ncc(NC(=O)[C@@H]3CCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc12 24032992 KLRDUPHSNJMWGZ-ZDCBYCKXSA-N 421.545 3.423 0 40 HGAB COc1ccc(Cn2nnnc2SCC(=O)N(C)[C@@H]2CCCc3ccccc32)cc1 30339369 YEXHXIUGDGPIFQ-HXUWFJFHSA-N 423.542 3.358 0 40 HGAB Cc1cccc(N2CCN(CCCCNS(=O)(=O)c3cc(F)cc(F)c3)CC2)c1 30361186 HJUUXUGCBNALBW-UHFFFAOYSA-N 423.529 3.154 0 40 HGAB CC[C@@H](NC(=O)CN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O)c1ccccc1 30853896 MSLISSLZCZSUFB-QGZVFWFLSA-N 410.923 3.382 0 40 HGAB COc1ccccc1N1CCN([C@H](NC(=O)C(C)C)C(Cl)(Cl)Cl)CC1 32690969 XDSORYAWBNAMSX-INIZCTEOSA-N 408.757 3.286 0 40 HGAB Cc1cc(C)c2nc(NC(=O)[C@@H]3CN(S(C)(=O)=O)c4ccccc4O3)sc2c1 40134503 BWCWDBHJVKPSQY-HNNXBMFYSA-N 417.512 3.079 0 40 HGAB COc1cc(OC)cc([C@H]2CC(O)=Nc3c2c(C)nn3-c2ccc3nnc(C)n3n2)c1 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CC(C)c1sc(Br)nc1C(=O)N1CCN(C(=O)c2ccco2)CC1 95474420 SFZMPBXDOFOZNV-UHFFFAOYSA-N 412.309 3.220 0 40 HGAB Cc1ccc(C)c(N2C(=O)C[C@@H](c3c(C)nn(-c4nc5ccccc5[nH]4)c3O)C2=O)c1 100069157 PYYDSXDPMDFYTH-HNNXBMFYSA-N 415.453 3.427 0 40 HGAB Cc1noc(C)c1CCC(=O)NC[C@H]1CC[C@H](c2nnc(-c3cnccn3)o2)CC1 100156103 OXQWHUWJWFLFSM-IYBDPMFKSA-N 410.478 3.154 0 40 HGAB Cc1ncc(C(=O)N(C)C)c([C@H]2CC[C@H](CNC(=O)Cc3ccccc3F)CC2)n1 100205666 ORDKQVRBNRIOPH-CALCHBBNSA-N 412.509 3.259 0 40 HGAB Cc1cc(C)nc(-n2nc(C)c(CC(=O)NCC3(c4ccc(F)cc4)CC3)c2C)n1 107954213 OQBLFCSQEKIVMT-UHFFFAOYSA-N 407.493 3.426 0 40 HGAB CCOc1ccc(CCCNC(=O)[C@H](C)N(c2cccc(F)c2)S(C)(=O)=O)cc1 220487706 ZSCXNDPXKNQDPE-INIZCTEOSA-N 422.522 3.128 0 40 HGAB CN(C)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(Br)cs1 223254029 VCMLZQUYVZIYFS-LSDHHAIUSA-N 411.394 3.440 0 40 HGAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1-n1cnnc1 223335902 OICLSZPHKRETLD-WOJBJXKFSA-N 419.514 3.169 0 40 HGAB CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(O)cc1 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3.038 0 40 HGAB COc1cc(C(=O)Nc2ccc(OCC(F)(F)F)c(C)c2)ccc1OCC(N)=O 606379642 XJIKRMRQAABKRI-UHFFFAOYSA-N 412.364 3.061 0 40 HGAB Cc1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccc(Cl)c3C)C2)n1 616019443 SBIIQFPASBWAGV-OAHLLOKOSA-N 407.923 3.391 0 40 HGAB COc1ccc(Cl)cc1N1C[C@H](C(=O)N2CCOc3ccccc3C2)CC1=O 617222995 HOCUWYLDQHCGQI-OAHLLOKOSA-N 400.862 3.123 0 40 HGAB CN(C)c1cccc(C(=O)N2CCC(n3nc(-c4ccccc4)ccc3=O)CC2)c1 1775970945 KLUQWWMYBZRRKX-UHFFFAOYSA-N 402.498 3.454 0 40 HGAB O=C(COCc1ccccc1)N1CC[C@@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@H]21 1889186725 QCODJPKCEOOQAV-SJLPKXTDSA-N 405.420 3.354 0 40 HGAB CCOC(=O)c1ccc2c(c1)N[C@H](CC(=O)Nc1cccc(OC)c1)C(=O)N2CC 2656188 AQTNTAIOQRGKTC-GOSISDBHSA-N 411.458 3.048 0 40 HGAB C[C@@]12CCC(=O)N1[C@@H](C(=O)OCC(=O)Nc1ccc(-c3ccccc3)cc1)CS2 2664920 SGMXFKZIMRCIJP-XMSQKQJNSA-N 410.495 3.289 0 40 HGAB CCCCOc1cccc(C(=O)Nc2sc3c(c2C(N)=O)CCN(C(C)=O)C3)c1 4280394 JFJVWTDPYQLCDF-UHFFFAOYSA-N 415.515 3.183 0 40 HGAB C[C@H](CCc1ccccc1)NC(=O)[C@@H](C)Sc1nnc(-c2cccc(F)c2)n1N 4876708 RJOMWWGCTFDWFH-HUUCEWRRSA-N 413.522 3.416 0 40 HGAB COc1ccccc1-c1ccc(=O)n(CC(=O)Nc2ccc(Br)cc2)n1 4968146 MDVJYAREDJWITG-UHFFFAOYSA-N 414.259 3.320 0 40 HGAB CN1CCN(c2ccc(-c3ccc(NC(=O)c4c(F)cccc4F)cc3)nn2)CC1 5259415 MPDQURVGYQNHBG-UHFFFAOYSA-N 409.440 3.426 0 40 HGAB C[C@H](NC(=O)COC(=O)CNC(=O)c1ccccc1)c1ccc(Cl)cc1Cl 5716910 OWDOWGYLPPFZNP-LBPRGKRZSA-N 409.269 3.144 0 40 HGAB CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]1C(=O)OCc1ccccc1 5733011 AXXCQAWGCJGDKN-MSOLQXFVSA-N 404.507 3.270 0 40 HGAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2c(C)cccc2C(C)C)cc1OC 6504491 VPPMBRFIGOBTIG-OAHLLOKOSA-N 420.531 3.441 0 40 HGAB CC(C)C[C@H](C(=O)N1CCN(c2ccccc2)CC1)N1C(=O)c2ccccc2C1=O 6509251 PEVMZRAAOFZYBQ-OAQYLSRUSA-N 405.498 3.046 0 40 HGAB CCCN(CC(=O)NCCCc1ccccc1)S(=O)(=O)c1cc(C)ccc1C 6602797 IQEGGHZGAALZBH-UHFFFAOYSA-N 402.560 3.453 0 40 HGAB COCc1cc(C)nc2sc3c(=O)n(CCO)c(-c4ccccc4OC)nc3c12 6659354 DWJZPWNFXBZCLN-UHFFFAOYSA-N 411.483 3.129 0 40 HGAB Cc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)N3CC[C@H](C)[C@H]4CCCC[C@@H]43)=C2)cc1 6800290 FGFFGUWDGCADLG-HQRMLTQVSA-N 415.559 3.285 0 40 HGAB O=C(CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O)N1CC=C(c2ccccc2)CC1 7185410 MZPJKFGIAHDHIM-RUZDIDTESA-N 415.493 3.086 0 40 HGAB CC[C@@H](C)NC(=O)c1ccccc1NS(=O)(=O)c1ccc(N2CCCC2=O)cc1 7709161 HPTRDVHZLZAWTA-OAHLLOKOSA-N 415.515 3.143 0 40 HGAB COc1ccc([C@@H]2CCCN2[C@H](C(=O)N2CCOCC2)c2ccccc2)c(OC)c1 7741522 IDKWMHUXCDHLCE-GMAHTHKFSA-N 410.514 3.441 0 40 HGAB O=C(CSc1nnnn1-c1cccc(Cl)c1)Nc1ccnn1C1CCCC1 7745209 YAQYFZPOEAYOJM-UHFFFAOYSA-N 403.899 3.358 0 40 HGAB Cc1c(N(Cc2c(F)cccc2Cl)S(C)(=O)=O)c(=O)n(-c2ccccc2)n1C 9226337 AYUIRYLMQLFTMT-UHFFFAOYSA-N 423.897 3.243 0 40 HGAB CC(=O)c1ccc(NC(=O)Cn2cnc3c(cnn3-c3ccc(Cl)cc3)c2=O)cc1 9416448 JBZBICWCGFSSFW-UHFFFAOYSA-N 421.844 3.077 0 40 HGAB O=C(Nn1cnc2c(cnn2-c2ccc(F)cc2)c1=O)c1ccc(C(F)(F)F)cc1 9562996 ZIUBJXBYHUNKQG-UHFFFAOYSA-N 417.322 3.124 0 40 HGAB C[C@@H]1Cc2ccccc2N1Cc1cc(=O)c(OCC(=O)NCCc2ccccc2)co1 9716561 AFNZIVKRLNXSBG-GOSISDBHSA-N 418.493 3.329 0 40 HGAB O=C(Cn1ccn(-c2cccc3ccccc23)c(=O)c1=O)NCc1ccccc1Cl 9808654 OQMVWMRZELRPRA-UHFFFAOYSA-N 419.868 3.122 0 40 HGAB O=C(CCN1C(=O)c2ccccc2S1(=O)=O)NC(c1ccccc1)c1ccccc1 10046053 XVXAHDWXOLDLQG-UHFFFAOYSA-N 420.490 3.127 0 40 HGAB CC(=O)Nc1cccc(NC(=O)CN(c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)c1 10329491 LTTQJWFVFORBOP-UHFFFAOYSA-N 417.531 3.347 0 40 HGAB COc1cc(Cl)c(NC(=O)c2cccc(N3CCCS3(=O)=O)c2)cc1OC 10592902 JCXMSANTRZWGNU-UHFFFAOYSA-N 410.879 3.149 0 40 HGAB O=C(NC1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1)c1ccccc1 10679653 BAGVERFQPBYSHB-UHFFFAOYSA-N 412.433 3.289 0 40 HGAB CCCn1ncc(CN2CCC(c3ncc(Cl)cc3S(C)(=O)=O)CC2)c1C 12186963 BTLVGIUOFFDDAR-UHFFFAOYSA-N 410.971 3.433 0 40 HGAB CCOC(=O)c1ccc(NC(=O)[C@H](CC(C)C)N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)cc1 12492168 JISFDOMZXOEMIN-DLRXZHIHSA-N 424.497 3.024 0 40 HGAB CCOc1ccc(C(=O)Nc2nc(CN3C[C@H](C)O[C@@H](C)C3)cs2)cc1OC 12747153 DHTICGPZCBWSKK-KBPBESRZSA-N 405.520 3.412 0 40 HGAB C[C@@H]1CCc2c(sc3ncnc(NCCCN4CCN(c5ncccn5)CC4)c23)C1 12771660 DWGCVUNPMJGYQU-MRXNPFEDSA-N 423.590 3.230 0 40 HGAB O=C(CSc1nnc(C[C@H]2CCS(=O)(=O)C2)o1)c1cccc2ccccc12 12987601 JTFOOUZRZSNHER-CYBMUJFWSA-N 402.497 3.175 0 40 HGAB O=C(CCSc1ccccc1)NC(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O 13059190 AHSGTTQXIXZYEV-UHFFFAOYSA-N 418.824 3.346 0 40 HGAB COc1ccccc1NS(=O)(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1 14224255 YSPWETLZIDUTLJ-UHFFFAOYSA-N 424.525 3.358 0 40 HGAB CC(C)[C@@H](NC(=O)CNCCOc1ccccc1F)c1ccc2c(c1)OCCCO2 16695497 UIGPRCYQBKHNTG-HSZRJFAPSA-N 416.493 3.469 0 40 HGAB COc1ccccc1C(=O)NC(=S)Nc1ccc(N2CCN(C)CC2)c(Cl)c1 17091726 VTJIJXQLFIUOGM-UHFFFAOYSA-N 418.950 3.227 0 40 HGAB C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3ccc4c(c3)OCO4)cc2)C1 17244646 AOHFJCUWZDLLFB-GASCZTMLSA-N 416.499 3.334 0 40 HGAB O=C(Cc1n[nH]c(=O)c2ccccc12)OCc1cc(Cl)c2c(c1)OCCCO2 17719233 NDQPKXKQIIZSJF-UHFFFAOYSA-N 400.818 3.024 0 40 HGAB NC(=O)[C@]1(Cc2cccc(-c3cccc(F)c3)c2)CCCN(C(=O)[C@H]2CCCO2)C1 19331302 YBAKTSRBAJDWGF-QPPBQGQZSA-N 410.489 3.308 0 40 HGAB CC(C)C[C@H](c1nnnn1CCc1ccccc1)N1CCN(C(=O)c2ccco2)CC1 19446876 KQPUOKKOLZANMA-HXUWFJFHSA-N 422.533 3.054 0 40 HGAB COc1ccccc1CCC(=O)N1CCC[C@@H]1c1nc(-c2ccncc2)cc(=O)[nH]1 19569852 IOMLVGMPUSOXND-LJQANCHMSA-N 404.470 3.137 0 40 HGAB Nc1ncc(-c2ccc([C@H]3CCCN(CC(=O)Nc4ccccc4F)C3)nc2)cn1 19688599 UHQHBRQOELZXSN-INIZCTEOSA-N 406.465 3.078 0 40 HGAB CCOc1ccc([C@H]2CCCN2CC(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)cc1 19715510 KBYNGFUTQISJQC-LJQANCHMSA-N 408.502 3.051 0 40 HGAB COc1c(C)cccc1CN(C)Cc1cc(N(C)C)nc([C@@H]2CCCN2C(C)=O)n1 19760335 REBFBYQWKXKTBG-FQEVSTJZSA-N 411.550 3.175 0 40 HGAB COc1ccc([C@H](CNC(=O)c2ccc(OC)c(Cl)c2)N2CCOCC2)cc1 19897815 WDJOFGMZYJZKBC-IBGZPJMESA-N 404.894 3.161 0 40 HGAB COc1ccc([C@@H](C)NC(=O)[C@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)cc1 20450464 QZUNOUCDUJXVFQ-KGLIPLIRSA-N 410.923 3.381 0 40 HGAB CCn1c(CCC(=O)N[C@@H](C)CCC(C)C)nc2cc(S(=O)(=O)N(C)C)ccc21 21196297 QBFLZYBJILEBLR-INIZCTEOSA-N 422.595 3.180 0 40 HGAB COc1cc(NS(=O)(=O)c2ccccc2OC(F)(F)F)cc(OC)c1OC 23390030 MHWAFMNCVGNJPP-UHFFFAOYSA-N 407.366 3.412 0 40 HGAB CCn1c(=O)[nH]c(=O)c2c(C(=O)Nc3ccccc3OC(F)F)cc(C(C)C)nc21 24443181 YLGRSHIOMGAIPQ-UHFFFAOYSA-N 418.400 3.082 0 40 HGAB O=C(Cc1csc(NC(=O)C2CC2)n1)Nc1ccccc1C(=O)N1CCCCC1 28415455 BFBPPLPFFLCJAS-UHFFFAOYSA-N 412.515 3.299 0 40 HGAB O=C(Nc1ccc2c(c1)OCCO2)C1CCN(Cc2nc(-c3ccccc3)no2)CC1 30955310 ZSUXBDFZLBVWON-UHFFFAOYSA-N 420.469 3.359 0 40 HGAB COc1ccc(-c2csc(NC(=O)CCNC(=O)c3ccco3)n2)cc1OC 32971555 XMCXJIBNWBMMAQ-UHFFFAOYSA-N 401.444 3.179 0 40 HGAB CC1=C[C@@H](CNS(C)(=O)=O)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccncc2)o1 35442802 HJJYTAXKVWKQFW-BZSNNMDCSA-N 404.536 3.078 0 40 HGAB biogenic,in-vitro COC(=O)[C@@H](CCSC)NC(=O)N1CCc2nc[nH]c2[C@@H]1c1cccc(Cl)c1 36569624 PUKXFBWYIOKBGX-WBVHZDCISA-N 422.938 3.015 0 40 HGAB O=C(NCc1cccnc1Oc1cccc(F)c1)[C@@H]1CCCN(c2cnccn2)C1 40094432 FYSXLHYQBBVNBE-QGZVFWFLSA-N 407.449 3.336 0 40 HGAB O=C(Oc1ccccc1)N1CCC(CNS(=O)(=O)/C=C/c2ccccc2)CC1 43957047 QDKKKWNDCUCAMD-DTQAZKPQSA-N 400.500 3.488 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)N[C@H](C)c1ccc(F)cc1 44884805 FAOJXROTVOFXBZ-CQSZACIVSA-N 406.479 3.110 0 40 HGAB CCOC(=O)c1ccn(-c2cccc(NC(=O)c3[nH]c4c(c3C)C(=O)CCC4)c2)n1 45854304 VHCCGIWZCXOIDG-UHFFFAOYSA-N 406.442 3.457 0 40 HGAB CSc1nc(C)c(CCC(=O)NCc2cccc(N3CCOC3=O)c2)c(C)n1 47276882 HHMHOCNQKWUXHE-UHFFFAOYSA-N 400.504 3.021 0 40 HGAB COc1ccc(-c2noc(-c3ccc(=O)n(Cc4ccc5c(c4)OCO5)c3)n2)cc1 49007387 ZLJOKPCBTCZNDN-UHFFFAOYSA-N 403.394 3.351 0 40 HGAB COC(=O)c1cc(OC)c(OC)c(OC)c1NC(=O)/C=C/c1ccc(OC)cc1 54209866 LZUHCHKDEZQSPA-DHZHZOJOSA-N 401.415 3.160 0 40 HGAB CN(C)C(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)c2cc(C(C)(C)C)ccc2O1 64985452 KFCJQWRGOKJTAF-IBGZPJMESA-N 402.516 3.029 0 40 HGAB CCc1noc(-c2ccnc(-n3cnc(C(=O)NCc4ccc(Cl)cc4)c3)c2)n1 65250916 JBLXDNCGJHBPBB-UHFFFAOYSA-N 408.849 3.463 0 40 HGAB C[C@H](Oc1ccc(C(=O)N[C@H]2CCCN(c3ncccn3)C2)cn1)c1ccccc1 65587919 AGTVNXXYQFUDHS-PXNSSMCTSA-N 403.486 3.410 0 40 HGAB COc1ccccc1NC(=O)c1nnn(CC(=O)Nc2ccc(C)c(Cl)c2)c1C 67323035 GLOCTNYTVQDCOB-UHFFFAOYSA-N 413.865 3.448 0 40 HGAB Cc1cccc(N2CCN(CCC(=O)NCc3ccc(Cn4ccnc4)cc3)CC2)c1 72301609 VABBMQCKPSOYDH-UHFFFAOYSA-N 417.557 3.068 0 40 HGAB NC(=O)CSc1ccccc1C(=O)Nc1cccc2c1CN(c1ccccn1)C2 89811932 RLOAEDXZFQWRIL-UHFFFAOYSA-N 404.495 3.432 0 40 HGAB CC(C)(C)OC(=O)NC[C@H]1CCCC[C@]12NC(=O)N(Cc1cccnc1Cl)C2=O 95405529 ADBHLNSIHWTNQF-VLIAUNLRSA-N 422.913 3.241 0 40 HGAB C[C@H](Sc1n[nH]c(=O)n1CCc1ccccc1)C(=O)N[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 103136324 GQHQJKRXCZAKPA-UYKLPWQDSA-N 414.575 3.236 0 40 HGAB O=C(O)CCC/C=C/C[C@@H]1[C@H](O)C[C@H](O)[C@@H]1/C=C/[C@H](O)COc1cccc(Cl)c1 105806534 VJGGHXVGBSZVMZ-MLCRKFEOSA-N 424.921 3.195 0 40 HGAB in-vitro C[C@H](CC(C)(C)c1ccccc1)NC(=O)CN(Cc1ccccc1F)S(C)(=O)=O 225206601 FZTKYHMVIFUZLV-QGZVFWFLSA-N 420.550 3.460 0 40 HGAB COC[C@]1(N)[C@H](c2ccc(Br)cc2)[C@H]1S(=O)(=O)c1ccc(C)cc1 242400288 ATAKWQYDVDUMEY-KURKYZTESA-N 410.333 3.041 0 40 HGAB O=C(N[C@@H](C(=O)O)C12CC(C(=O)O)(C1)C2)OCC1c2ccccc2-c2ccccc21 253179447 BBUMEAUKYYYUBO-NWLLBJEDSA-N 407.422 3.233 0 40 HGAB Cc1c(Cl)cccc1NC(=O)C(=O)NC[C@](O)(c1ccoc1)c1cccs1 253471881 GKBWTCGDZAQBLJ-IBGZPJMESA-N 404.875 3.294 0 40 HGAB Cc1ccnc([C@@H]2CCN(C(=O)C3(C)CCN(C(=O)c4ccccc4F)CC3)C2)n1 257267368 MGZLYRNFPXFJFA-QGZVFWFLSA-N 410.493 3.183 0 40 HGAB COc1cccc2cc(C(=O)N3CCCC[C@@H]3c3n[nH]cc3C(=O)N(C)C)c(C)nc12 257319799 VUBJIRPYPMHKFI-GOSISDBHSA-N 421.501 3.344 0 40 HGAB O=C(Nc1ccccc1)c1nnc2n1C[C@H]1CN(Cc3ccccc3Cl)C[C@H]1C2 306131035 JVFRVUVEBYCXLK-IAGOWNOFSA-N 407.905 3.488 0 40 HGAB O=C(c1ccc(Br)o1)N1CC[C@H](c2cccs2)S(=O)(=O)CC1 390830637 MIMDEVYOIQZJFR-GFCCVEGCSA-N 404.307 3.106 0 40 HGAB CCOCCCNC(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccc(C)cc1 409123798 IQRSFWLKFNOLOQ-UHFFFAOYSA-N 418.559 3.350 0 40 HGAB Cc1oc(-c2cnn(C)c2)nc1C(=O)N[C@H]1COc2cc(F)c(Br)cc21 500349374 QUMQOFVHPXCEPQ-ZDUSSCGKSA-N 421.226 3.149 0 40 HGAB O=S(=O)(c1ccc2nc(O)oc2c1)N1CCc2cc(Br)cc(F)c21 560231633 NVSTWIRGMOBILU-UHFFFAOYSA-N 413.224 3.186 0 40 HGAB O=C1C[C@@H]2CCN(C(=O)c3ccc4c(c3)OCO4)C[C@@H]2CCOc2ccccc2N1 1534646264 GZTUVUUFDHVMDC-RDJZCZTQSA-N 408.454 3.305 0 40 HGAB CC(C)(C)c1ccc(OCC2CCN(S(=O)(=O)Cc3ccccc3)CC2)nn1 1775969867 PHUNFTOKJPATTA-UHFFFAOYSA-N 403.548 3.395 0 40 HGAB O=C(NCC(=O)N1CCC[C@H]1c1ncc(Cc2ccc(F)cc2)o1)c1ccccc1 1848353968 KLBJMPJOHDOBOR-FQEVSTJZSA-N 407.445 3.498 0 40 HGAB CC(C)(C)c1ccc(N2C[C@H]3CN(C(=O)c4cc(-c5cccnc5)on4)C[C@@H]3C2)nn1 1888897208 PWUVNPVUHWXLGA-IRXDYDNUSA-N 418.501 3.033 0 40 HGAB CC(C)(C)[C@@H]1CCc2c(sc3nc(SCC(=O)N4CCOCC4)[nH]c(=O)c23)C1 1368189 SISRVHCEBVHTNW-GFCCVEGCSA-N 421.588 3.087 0 40 HGAB O=C(CN(c1ccccn1)S(=O)(=O)c1ccc(F)cc1)Nc1ccc(F)cc1F 1387457 IETUOOAYHCSPJR-UHFFFAOYSA-N 421.400 3.333 0 40 HGAB N[C@H]1C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(CCl)CS[C@H]12 2556755 PBPKDMBQLUWMIO-OXJNMPFZSA-N 414.914 3.055 0 40 HGAB CC(C)(C)OC(=O)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(N)=O 2560013 PBMBMXLGDKBTSS-IBGZPJMESA-N 410.470 3.111 0 40 HGAB Cc1cccc(OCCOC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)c1 2649818 AMWLVIRTAHIZAS-UHFFFAOYSA-N 409.529 3.079 0 40 HGAB CSCC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N[C@@H](C)c1ccccc1 3334068 KLNVVBSXKMPMQB-YOEHRIQHSA-N 410.536 3.103 0 40 HGAB COc1ccc(CCN2C[C@H](C(=O)N[C@H]3CCCc4ccccc43)CC2=O)cc1OC 3413774 ONCHBCXBLZWPMI-CTNGQTDRSA-N 422.525 3.289 0 40 HGAB COC(=O)c1ccc(COC(=O)c2ccccc2SCC(=O)N2CCCC2)o1 3532248 MRHGJPYVBYCSHA-UHFFFAOYSA-N 403.456 3.138 0 40 HGAB CCOC(=O)[C@H]1[C@H](c2ccc(C(C)(C)C)cc2)[C@@H](C(=O)OCC)C(=O)C[C@]1(C)O 4112398 WQOSIFNKORDPQG-KCESLBEFSA-N 404.503 3.150 0 40 HGAB O=C(CN1CCCCC1)N1CCC[C@@H](c2nc(=O)c3c4c(sc3[nH]2)CCCC4)C1 4908512 WOIMYENWHHYGKA-OAHLLOKOSA-N 414.575 3.055 0 40 HGAB Cc1ccc(CNC(=O)CSc2nc3ccccc3c(=O)n2C[C@H]2CCCO2)cc1 5129534 BOQWNRDUJPRZQG-GOSISDBHSA-N 423.538 3.292 0 40 HGAB CS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)c3ccc4c(c3)CCCC4)cc21 5136868 BDZGESBWXBCWRN-UHFFFAOYSA-N 420.556 3.078 0 40 HGAB CC/C(NCCc1c[nH]c2ccccc12)=C1/C(=O)NC(=O)N(C2CCCCC2)C1=O 6186930 SZHRGZHLPZWVGN-CZIZESTLSA-N 408.502 3.375 0 40 HGAB Nn1c(SCC(=O)NCc2ccccc2)nnc1-c1ccc(Cl)cc1Cl 6881609 QDFJYJHLMMUATM-UHFFFAOYSA-N 408.314 3.374 0 40 HGAB CCOC(=O)Cn1c(C)c(/C=C(\Sc2nnc(CC)[nH]2)C(=O)O)c2ccccc21 7342597 URLZGQYMFCNAMO-YBEGLDIGSA-N 414.487 3.411 0 40 HGAB CCc1ccc(-c2nnn(CC(=O)N3CCC[C@H]3c3ccc4c(c3)OCCO4)n2)cc1 8324827 KPQPALGJPAEOSW-IBGZPJMESA-N 419.485 3.037 0 40 HGAB COc1ccc(-c2nc3s/c(=C/c4ccccc4Br)c(=O)n3n2)cc1 8564369 WEJZYFCVJUVALJ-XNTDXEJSSA-N 414.284 3.137 0 40 HGAB COc1ccc2c(c1OC)C(=O)N1[C@H]2SC[C@H]1C(=O)NCc1ccc(Cl)cc1 8952538 XXYSZSYKYJVDPL-XOBRGWDASA-N 418.902 3.243 0 40 HGAB biogenic CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)Sc2nccn2C2CC2)cc1 11893688 FMPGHHBFTKDXAR-CYBMUJFWSA-N 408.549 3.024 0 40 HGAB C[C@H](NS(=O)(=O)c1cccc(Cl)c1)C(=O)Nc1ccc(N2CCCC2)cc1 12072957 FOJHJMZPDVLJDL-AWEZNQCLSA-N 407.923 3.246 0 40 HGAB C[C@H](Oc1ccccc1)C(=O)N1CCc2cc(S(=O)(=O)NC3CCCC3)ccc21 12289156 GGRQMKLDVGDKSJ-INIZCTEOSA-N 414.527 3.264 0 40 HGAB O=S1(=O)c2ccccc2[C@H](O)[C@@H](Cc2cccc3[nH]ccc23)N1Cc1ccncc1 12324391 HZAFWFNMXRZYHZ-GGAORHGYSA-N 419.506 3.412 0 40 HGAB COC(=O)[C@@H](C)SC1=Nc2c(cnn2-c2cccc(Cl)c2)C2=NCCCN12 12408046 AETHAPWMUZRZQS-LLVKDONJSA-N 403.895 3.274 0 40 HGAB CC(=O)Nc1cccc(Nc2nnc(SCC(=O)Nc3cc(C)on3)s2)c1 12538226 FWHIRAZBGNUPLI-UHFFFAOYSA-N 404.477 3.267 0 40 HGAB O=C(O)[C@@H]1CC=CC[C@H]1C(=O)Nc1ccccc1NS(=O)(=O)c1cccs1 12605721 ZNZHVJHJFLPPAI-CHWSQXEVSA-N 406.485 3.154 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CNc1cccc(C)c1 12796579 CMAGHADKWSRFIQ-UHFFFAOYSA-N 417.531 3.229 0 40 HGAB CCOc1ccc(-c2ccc(=O)n(CCNC(=O)Nc3cc(C)ccc3OC)n2)cc1 13604225 NPMJYJCAQFMNMZ-UHFFFAOYSA-N 422.485 3.448 0 40 HGAB CCOC(=O)c1cccc(NC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)c1C 13613831 CKKYXJZTCFTEMJ-UHFFFAOYSA-N 424.906 3.230 0 40 HGAB Cc1cc(O)nc(-n2[nH]c3ncc4c(c3c2=O)C[C@@H](c2cccc(Cl)c2)CC4=O)n1 13639693 DESIXLMXHVGCFY-GFCCVEGCSA-N 421.844 3.084 0 40 HGAB Cc1c(-c2ccccc2)c(=O)oc2c3c(ccc12)OCN([C@@H]1CCS(=O)(=O)C1)C3 13693179 CBOMUVRAPCUOKC-MRXNPFEDSA-N 411.479 3.107 0 40 HGAB biogenic COCCNC(=O)Cc1ccc(NC(=O)COc2ccc(Cl)cc2Cl)cc1 13717203 KGFRONCEHWMCDM-UHFFFAOYSA-N 411.285 3.316 0 40 HGAB COc1cccc(/C=C/C(=O)NCc2ccccc2S(=O)(=O)N2CCCCC2)c1 14127142 LMCFYNNQQZDANF-OUKQBFOZSA-N 414.527 3.199 0 40 HGAB Cc1ccc(C)c(N(CCCC(=O)Nc2ccc3c(c2)OCCO3)S(C)(=O)=O)c1 14399129 QXHZIAACMFITEN-UHFFFAOYSA-N 418.515 3.260 0 40 HGAB O=C(Cn1c(=O)oc2ccccc21)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 15961763 MUMFURSSXXCCTD-UHFFFAOYSA-N 421.375 3.089 0 40 HGAB CC(C)C(=O)NC(=S)Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)cc1 16574949 GVDBDXZEBTUZQJ-UHFFFAOYSA-N 410.543 3.118 0 40 HGAB Cc1ccc(NC(=O)C[C@@H]2C(=O)N[C@H]3CCCC[C@H]3N2C(=O)c2ccc(F)cc2)cc1 17093573 GCTJTVYVJADNKU-PWRODBHTSA-N 423.488 3.415 0 40 HGAB Cc1ccc(N2C(=O)[C@@H]3C(C(=O)C(c4ccccc4)c4ccccc4)=NN[C@H]3C2=O)cc1 17823677 UPGCEOUJBIHTMY-FYYLOGMGSA-N 423.472 3.213 0 40 HGAB O=C(c1ccccc1)[C@H]1[C@H]2C(=O)N(c3cccc4ccccc34)C(=O)[C@H]2[C@@H]2C=CC=NN21 18045607 JMSBTGJKQCNTKZ-CWBXHPNXSA-N 421.456 3.437 0 40 HGAB CC(C)CCC[C@@H](C)NC(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 19163846 URFXPLFVPCQGEZ-MRXNPFEDSA-N 405.564 3.179 0 40 HGAB COc1ccc([C@@H]2CN(C(=O)Cc3ccccc3C)C[C@H]2c2cc(=O)[nH]c(C)n2)cc1 19237093 WHFQNDYUKUUZCT-FCHUYYIVSA-N 417.509 3.348 0 40 HGAB CCC(C)(C)n1nnnc1[C@@H](c1ccc(C)cc1)N1CCN(C(=O)c2ccco2)CC1 19499671 BQCOWDUPYRZPFL-HXUWFJFHSA-N 422.533 3.267 0 40 HGAB CCC[C@@H]1C[C@@](O)(Cn2cnc3c(c(C)c(C)n3Cc3ccccc3)c2=O)CCN1 19502086 PBRXHBHONRNLGG-HYBUGGRVSA-N 408.546 3.146 0 40 HGAB CCCc1cc(C(=O)N2CCCC[C@@H]2c2nc(O)c3c(n2)CCN(C(C)C)C3)no1 19525341 AEKPLOYCTUMCRT-LJQANCHMSA-N 413.522 3.257 0 40 HGAB Cc1nc(C2CCN(C(=O)[C@H]3CCN3C3CCCCC3)CC2)nc2c1CCCN2C 19706685 VLKZHFSOKSILDI-OAQYLSRUSA-N 411.594 3.280 0 40 HGAB CNc1nc([C@@H]2CCCN2C(C)=O)nc2c1CCN(Cc1cn(C)c3ccccc13)C2 19707449 IINYEQBENXFVGS-QFIPXVFZSA-N 418.545 3.252 0 40 HGAB Cc1cc(C)n(-c2ccc(OCC(=O)Nc3cc(F)ccc3N3CCCC3)nn2)n1 19718866 PGJARNJSJYDIFX-UHFFFAOYSA-N 410.453 3.036 0 40 HGAB CCN(Cc1ccc(OC)cc1)S(=O)(=O)c1ccc(OC)c(-c2noc(C)n2)c1 21792589 SYCMAWZLRVGCPU-UHFFFAOYSA-N 417.487 3.273 0 40 HGAB CN1CCN(C(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)c2nc3ccccc3nc21 22503169 YSXGKRNOQYKMTD-AWEZNQCLSA-N 421.888 3.119 0 40 HGAB CCc1nc2sc([C@@H](c3ccc(C)cc3)N3CCC4(CC3)OCCO4)c(O)n2n1 22854095 GVGARMLKIPVCKF-QGZVFWFLSA-N 414.531 3.296 0 40 HGAB CN1CCN(c2nnc(SCC(=O)Nc3ccccc3C(F)(F)F)s2)CC1 23139716 ILIOLVQTLJSWLP-UHFFFAOYSA-N 417.482 3.040 0 40 HGAB C[C@@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CN(C)Cc1cnn(Cc3ccccc3)c1)C2=O 23761656 FOJJNTRBGAQTTR-HOYKHHGWSA-N 423.561 3.458 0 40 HGAB O=C(CCN1CCC(C(=O)c2ccccc2)CC1)Nc1ccc(N2CCOCC2)cc1 25946735 LIBGEORRNRSDRF-UHFFFAOYSA-N 421.541 3.447 0 40 HGAB CCOC(=O)C1=C(CN(C)Cc2cccc(F)c2)NC(=O)N[C@H]1c1cccs1 27348924 GNGFHYNRAOZHNK-SFHVURJKSA-N 403.479 3.190 0 40 HGAB CC(=O)c1cc2c(cc1NC(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1)OCO2 28278613 ONOKDZNNYSQVEJ-UHFFFAOYSA-N 415.345 3.164 0 40 HGAB COc1ccc([C@H](NC(=O)c2nc(SC)ncc2Cl)c2nccn2C)cc1 29647918 GXMHIDIFCXVJJC-AWEZNQCLSA-N 403.895 3.113 0 40 HGAB COc1ccc(N2C[C@H](C(=O)N3CCN(c4ccccc4Cl)CC3)CC2=O)cc1 30807177 DGLLYQOWWNLZOE-MRXNPFEDSA-N 413.905 3.050 0 40 HGAB C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)S(=O)(=O)c1ccc(F)cc1Cl 32760501 CFIFWUHKLGXRLN-LLVKDONJSA-N 405.900 3.264 0 40 HGAB COc1ccc(CN(C(=O)c2cc(S(=O)(=O)NC3CC3)ccc2C)C2CC2)cc1 32868821 YQSLWWRPLROTRQ-UHFFFAOYSA-N 414.527 3.249 0 40 HGAB Cc1csc(CNC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)n1 32882230 NMOJVIKEGYOWQD-UHFFFAOYSA-N 413.952 3.210 0 40 HGAB CNS(=O)(=O)Cc1ccc(CNC(=O)Nc2ccc(C(F)(F)F)cc2)cc1 40097819 BRPRFNXABNMBRG-UHFFFAOYSA-N 401.410 3.076 0 40 HGAB Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)NCCc3nnc4ccccn34)c12 40131449 HIQWJVZHBXLZOV-UHFFFAOYSA-N 417.517 3.387 0 40 HGAB COc1ccc(OCCC(=O)NCc2ccc(CN3C[C@@H](C)O[C@H](C)C3)cc2)cc1 47539412 RQYZXGHTRKOAIL-RTBURBONSA-N 412.530 3.390 0 40 HGAB C[C@H]1CCCC[C@H]1OCCNC(=O)c1ccc(S(=O)(=O)Nc2ccncc2)cc1 48253067 ULYGFFWWTJNVLA-OXJNMPFZSA-N 417.531 3.208 0 40 HGAB COC(=O)[C@@H](NC(=O)c1cc(OC)ccc1OC)c1ccc(Br)cc1 58019177 GVFJUKGQEPODGV-INIZCTEOSA-N 408.248 3.110 0 40 HGAB O=S(=O)(c1ccccc1)c1nnn2c1nc(NCc1cccnc1)c1ccccc12 67261361 WAIJZUBGQQKYET-UHFFFAOYSA-N 416.466 3.117 0 40 HGAB CN(C)C[C@H]1CCCCN1C(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1 78752166 DQLYZGHBQLZQDR-HXUWFJFHSA-N 415.559 3.068 0 40 HGAB CCOC(=O)C1=C(CN2C[C@H](C)Sc3ccccc32)NC(=O)N[C@@H]1c1ccco1 79074728 FBWXVDBBZVZJSI-ORAYPTAESA-N 413.499 3.452 0 40 HGAB C[C@@H]1[C@@H](c2ccc(Br)cc2)OCCN1C(=O)NCCOc1cccnc1 95441273 IKZOUTNKOXUMTB-KDOFPFPSSA-N 420.307 3.395 0 40 HGAB CC(C)n1nnc(-c2ccc(C(=O)Nc3nc(Cc4ccc(F)cc4)n[nH]3)cc2)n1 95472357 GRTHNDSQSSZPGL-UHFFFAOYSA-N 406.425 3.021 0 40 HGAB COC(=O)C[C@@H](c1ccc(OC)cc1)c1c(O)n[nH]c1Cc1ccc2c(c1)CCO2 96222108 KZIHOQLJXZNMBG-SFHVURJKSA-N 408.454 3.345 0 40 HGAB biogenic Cn1c(=O)[nH]c(=O)c2c1nc(Sc1ccccc1)n2CCSc1ccccc1 96306456 NLLKVEXLSOLPMS-UHFFFAOYSA-N 410.524 3.367 0 40 HGAB CN(C)c1ccc(NC(=O)CN2[C@H]3CCC[C@H]2CC(NC(=O)c2ccco2)C3)cc1 100433601 SAUGQHIEDFLKQN-PMACEKPBSA-N 410.518 3.100 0 40 HGAB Cc1ccc(-c2noc(CN3N=N[C@@H]4C(=O)N(c5ccc(C)c(C)c5)C(=O)[C@H]43)n2)cc1 101277560 VATKVPBORYPHSU-OALUTQOASA-N 416.441 3.155 0 40 HGAB COc1cccc(C2=NO[C@@H]3C(=O)N(c4cccc5ccccc45)C(=O)[C@H]23)c1OC 101284059 ZUZFZDHKTNXWCH-NQIIRXRSSA-N 402.406 3.150 0 40 HGAB COc1ccccc1[C@@H]1C=C(C(=O)O)Nc2c(C(=O)Nc3ccccc3C)cnn21 102820864 IQRPARCHXUJWPS-SFHVURJKSA-N 404.426 3.436 0 40 HGAB O=C1NC(=O)[C@@H]2[C@@H]1[C@H]1c3ccccc3C=CN1[C@H]2C(=O)c1ccc(Cl)cc1Cl 106536422 YJWRXRFXIWIHSC-BRSBDYLESA-N 413.260 3.475 0 40 HGAB CS(=O)(=O)N(CC(=O)NCc1ccc(Cl)cc1)c1ccc(C(F)(F)F)cc1 220041909 FOEUZWJLWJEIES-UHFFFAOYSA-N 420.840 3.441 0 40 HGAB COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](C(=O)N(C)c2ccccc2)C1 222598352 FNJCMHYMYUPXDH-OAHLLOKOSA-N 422.934 3.412 0 40 HGAB CNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN1C(=O)c2cccc3cccc1c23 222610404 JZERIZPMYQWGAE-OAHLLOKOSA-N 419.456 3.102 0 40 HGAB C[C@@H]1Cc2cc(Br)ccc2N1S(=O)(=O)c1ccc2c(c1)oc(=O)n2C 223029398 IKOWLEZWYKLGRJ-SNVBAGLBSA-N 423.288 3.034 0 40 HGAB CC[C@@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CCc1ccc2c(c1)OCCO2 223055291 VSRCRKDASLQXGE-FQEVSTJZSA-N 410.514 3.252 0 40 HGAB CN(C)CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1Cc1cccnc1 223218627 SXXBELILSLTARD-VXKWHMMOSA-N 420.586 3.251 0 40 HGAB CC(C)C(NS(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2)s1)C(C)C 223420638 AXHFOLOKNXDKAD-UHFFFAOYSA-N 416.956 3.403 0 40 HGAB COc1ccccc1[C@@H](C)NC(=O)CN(c1cccc(OC(C)C)c1)S(C)(=O)=O 224040629 RPRYPZXKKZMXSH-MRXNPFEDSA-N 420.531 3.126 0 40 HGAB COc1ccc(NS(=O)(=O)c2nnc(NC(=O)c3ccccc3)s2)cc1Cl 224238700 XPWGHOFRBRVZIZ-UHFFFAOYSA-N 424.891 3.253 0 40 HGAB Cc1ccccc1N(CCCC(=O)NCCOc1ccc(Cl)cc1)S(C)(=O)=O 224641343 QMGOZKOJQKXGLU-UHFFFAOYSA-N 424.950 3.390 0 40 HGAB CC[C@H](C)NC(=O)c1ccc(OC)c(CN(C)S(=O)(=O)c2ccc(C)cc2)c1 224776541 QOPHRRIQJAFESG-INIZCTEOSA-N 404.532 3.353 0 40 HGAB COC(=O)c1ccc(NC(=O)CCNC(=O)c2ccc3nc(Cl)sc3c2)cc1 225979359 RXQKPXCQRONROH-UHFFFAOYSA-N 417.874 3.495 0 40 HGAB O=C(CSc1c[nH]c2ccccc12)N1CCN(c2cc3c(nn2)CCCC3)CC1 238811097 AIEIEBSMUWQMHZ-UHFFFAOYSA-N 407.543 3.278 0 40 HGAB COc1ccc(CN2CC[C@]3(COCc4cnc(NCc5ccccc5)nc43)C2)cn1 247868311 BZOQCHSYIMOUAP-XMMPIXPASA-N 417.513 3.166 0 40 HGAB CCc1nccn1-c1cccc([C@@H]2CCCN2C(=O)CCN(C)Cc2cccnc2)n1 257216202 CTNVSXKSCBBIKW-NRFANRHFSA-N 418.545 3.410 0 40 HGAB CCNC(=O)CCC/C=C/C[C@@H]1[C@H](O)C[C@H](O)[C@@H]1/C=C/[C@@H](O)CCc1ccccc1 306120458 AQOKCDNYWBIDND-PILAGONDSA-N 415.574 3.147 0 40 HGAB in-vitro COc1ccc(C(=O)N2CCC(Oc3ccncc3Cl)CC2)c(OC)c1OC 390827593 ZMRCIOWJHHETDH-UHFFFAOYSA-N 406.866 3.444 0 40 HGAB CC1=CC[C@@H]2C(=O)N(c3ccccc3C(=O)Nc3ccc(C(=O)O)cc3)C(=O)[C@H]2C1 408689109 YHHNPKKFKGOKSJ-WMZOPIPTSA-N 404.422 3.483 0 40 HGAB CC[C@@H](C)NC(=O)[C@H](CC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1 409001856 LDDYCXBMUYZOBN-XLIONFOSSA-N 412.486 3.330 0 40 HGAB O=C1[C@H]2[C@H]3C[C@H]4[C@@H]2[C@]2(C(=O)N5CCC(c6cccc(Br)c6)CC5)[C@H]1[C@@H]3[C@@H]42 505237118 CAIKKAYXXHVGBF-ZBSQAIIZSA-N 412.327 3.482 0 40 HGAB O=C(N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1)c1csc(-c2ncccn2)n1 679206135 JQROTASNXLMSOY-LLVKDONJSA-N 403.870 3.401 0 40 HGAB COC(=O)[C@@H]1[C@@H](c2ccc(Br)cc2)[N@@]1S(=O)(=O)c1ccc(C)cc1 2049251818 VRNANQYWHOYGEU-JTDSTZFVSA-N 410.289 3.045 0 40 HGAB CC(=O)Nc1cccc(NC(=O)[C@H]2CCCN2C(=O)Nc2cccc(C(C)=O)c2)c1 1343692 ZPAUACCYUJIDED-HXUWFJFHSA-N 408.458 3.483 0 40 HGAB O=C(CSC1=NC(=O)[C@@H](c2ccccc2)C(=O)N1)Nc1cccc2ccccc12 1436580 HLKDWDVGDZMBFW-UHFFFAOYSA-N 403.463 3.308 0 40 HGAB Cc1c(Cc2ccccc2)c(=O)oc2cc(OCC(=O)NCCCC(=O)O)ccc12 2103553 XEHXBPXBCPSHIV-UHFFFAOYSA-N 409.438 3.052 0 40 HGAB biogenic COc1ccc(CCNC(=O)CSCC(=O)NCc2ccc(Cl)cc2)cc1 2632930 VGTFYORRVKUHKR-UHFFFAOYSA-N 406.935 3.057 0 40 HGAB COc1ccc(NC(=O)COc2ncnc3ccc(Br)cc23)c(OC)c1 2662032 YAAKUBQORVDLRP-UHFFFAOYSA-N 418.247 3.427 0 40 HGAB Cc1c(Cl)c(C(F)F)nn1[C@H](C)C(=O)NCCn1cc(Br)cn1 2782579 MSFVQNDQPFNRCZ-MRVPVSSYSA-N 410.650 3.119 0 40 HGAB COc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)Nc2cc(C)on2)c1 3226038 LOBZSECMLBYBTE-UHFFFAOYSA-N 401.444 3.353 0 40 HGAB Cc1ccc(C(=O)NCC(=O)OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1C 3360938 LJPIQKRZXZFRTB-UHFFFAOYSA-N 408.376 3.234 0 40 HGAB CCSc1nnc(NC(=O)c2ccc(C)c(S(=O)(=O)N(CC)CC)c2)s1 3453736 OPIXOIBYMIAAPM-UHFFFAOYSA-N 414.578 3.241 0 40 HGAB COc1ccc(C(=O)C2=NO[C@H]3C(=O)N(c4cc(Cl)ccc4Cl)C(=O)[C@@H]23)cc1 3848830 UTVVXPCCLMBEDA-WMLDXEAASA-N 419.220 3.129 0 40 HGAB biogenic O=C(COC(=O)C(O)(c1ccccc1)c1ccccc1)N1CCCc2ccccc21 4328969 OSCVHWFBCXLGTA-UHFFFAOYSA-N 401.462 3.445 0 40 HGAB CCOc1ccccc1NC(=O)Cn1cnc2c(cnn2-c2ccc(C)cc2C)c1=O 4479270 LCUVJZOYWFXZIZ-UHFFFAOYSA-N 417.469 3.236 0 40 HGAB C[C@H](Sc1nnc(-c2ccccc2F)n1C)C(=O)Nc1ccc2c(c1)OCO2 4520261 RYJGIRHRRGBBPC-NSHDSACASA-N 400.435 3.469 0 40 HGAB CSc1ccc(S(=O)(=O)N2CCC(C(=O)N(C)Cc3ccccc3)CC2)cc1 4986160 CQZKGZYKGBUSHY-UHFFFAOYSA-N 418.584 3.468 0 40 HGAB CCc1nc2c(sc3nc(N4CCOCC4)c4c(c32)CC(C)(C)OC4)c(=O)o1 5791399 FCNZBHJWGLPLCP-UHFFFAOYSA-N 401.488 3.048 0 40 HGAB CCOC(=O)c1[nH]c(COC(=O)CCC(=O)c2cccs2)c(C(=O)OCC)c1C 6206625 VWGBWTNBHSBYAV-UHFFFAOYSA-N 421.471 3.444 0 40 HGAB Cc1nnc(SCC(=O)Nc2ccccc2C(=O)NC2CC2)n1Cc1ccccc1 6531874 YOKCCMGFQKGMNT-UHFFFAOYSA-N 421.526 3.258 0 40 HGAB O=C1CN(C(=O)CSc2nnc(C3CC3)n2Cc2ccccc2)c2ccccc2N1 6531911 VLTBXQRNNZBMCX-UHFFFAOYSA-N 419.510 3.281 0 40 HGAB CN(Cc1cccs1)C(=O)CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O 6639636 DKBZRWYCSARNAW-UHFFFAOYSA-N 419.506 3.202 0 40 HGAB O=C(CSc1nc2ncc(Br)cc2[nH]1)Nc1ccc2c(c1)OCO2 6733546 VPHRHCSDJOQWSD-UHFFFAOYSA-N 407.249 3.180 0 40 HGAB C[C@@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)NCCCSc1ccccc1)C2=O 6784903 ZRDIQCGSJWAESJ-OPAMFIHVSA-N 417.575 3.422 0 40 HGAB Cn1c(SCC(=O)Nc2ccc(OC(F)(F)F)cc2)nnc1C(F)(F)F 6788471 PEOGGRCWMNTXBS-UHFFFAOYSA-N 400.304 3.463 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(N(C)C)c(NC(=O)c2cccc(OC)c2)c1 7842362 HHSBECCUAJQKOO-UHFFFAOYSA-N 405.520 3.044 0 40 HGAB COc1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)cc1 7969420 LQCKJGYTANCODQ-UHFFFAOYSA-N 408.907 3.063 0 40 HGAB Cc1ccn2cc(C(=O)Nc3ccc(S(=O)(=O)N4CCCCCC4)cc3)nc2c1 8136298 RCRCMCZHWORZEE-UHFFFAOYSA-N 412.515 3.460 0 40 HGAB CCOc1ccccc1N1CCN(C(=O)[C@H]2CC(=O)N(Cc3ccc(C)cc3)C2)CC1 8291068 KDELXPQJMXWNPW-NRFANRHFSA-N 421.541 3.091 0 40 HGAB COc1ccccc1NC(=O)COC(=O)CCCC(=O)Nc1ccc(C(C)=O)cc1 8412727 RXUNTAFMKMIPGN-UHFFFAOYSA-N 412.442 3.189 0 40 HGAB CCSc1nnc(SCC(=O)N2CCc3cc(OC)c(OC)cc3C2)s1 8505968 ZQORXKIRTSMLSZ-UHFFFAOYSA-N 411.574 3.344 0 40 HGAB CCCCC(=O)N1CCC[C@H](c2nc(O)c3nnn(Cc4cc(C)ccc4C)c3n2)C1 8579750 ZSFSQWIZDQUIDE-KRWDZBQOSA-N 422.533 3.488 0 40 HGAB Cn1ccnc1C(=O)c1ccc(NC(=O)COc2cccc(Br)c2)cc1 8719910 RJKATUZNOUUOLV-UHFFFAOYSA-N 414.259 3.431 0 40 HGAB C[C@@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O)c1cc2ccccc2o1 8981416 BNIMKMMENMFBPL-DMZKTXOQSA-N 409.417 3.216 0 40 HGAB C[C@@]1(C2CC2)NC(=O)N(CC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)C1=O 9582472 FBVNMHLQPIEMPN-QFIPXVFZSA-N 401.482 3.208 0 40 HGAB CCn1cc(C(=O)NCc2ccc(OC)cc2)c2nn(-c3ccccc3)c(=O)c-2c1 9661416 UWFQNSVJXKXPDS-UHFFFAOYSA-N 402.454 3.097 0 40 HGAB COc1ccc(S(=O)(=O)Nc2nc(CC(=O)Nc3ccccc3C)cs2)cc1 9828644 ZTOMVDSWSFOSRL-UHFFFAOYSA-N 417.512 3.442 0 40 HGAB CCN(CC(=O)N1CCN(c2ccc(C(C)=O)cc2F)CC1)Cc1cccc(F)c1 10055940 GDMFWNSHJUTBCL-UHFFFAOYSA-N 415.484 3.338 0 40 HGAB CCOC(=O)N1CCN(C(=O)c2ccc3c(c2)C[C@@H](c2ccccc2)OC3=O)CC1 10127883 HXKPCGCNXIXSJK-FQEVSTJZSA-N 408.454 3.055 0 40 HGAB O=C(COC(=O)c1ccccc1I)Nc1cc(F)cc(F)c1 10256602 UHHMBGWKEUVWBZ-UHFFFAOYSA-N 417.149 3.365 0 40 HGAB CC[C@H]1CCCCN1CCCNS(=O)(=O)c1ccc(OC)c(Br)c1 10544215 VVYDIVOSYNQNDI-AWEZNQCLSA-N 419.385 3.391 0 40 HGAB O=S(=O)(NCc1ccccc1Cn1cccn1)c1cccc(Br)c1 10959181 RTGCRAZITBQGRD-UHFFFAOYSA-N 406.305 3.172 0 40 HGAB COc1ccc(C(F)(F)F)cc1NC(=O)CSc1ccc(NC(C)=O)nn1 11738741 MDDKECPJSVMNHN-UHFFFAOYSA-N 400.382 3.193 0 40 HGAB O=C(C[C@H]1C=CCC1)N1CCN(S(=O)(=O)c2cc(Cl)cnc2C2CCC2)CC1 12235688 USLFXRJGKSPODT-HNNXBMFYSA-N 423.966 3.192 0 40 HGAB CCn1c2ccccc2c2cc(N[C@@H](C)C(=O)N(C)[C@@H]3CCS(=O)(=O)C3)ccc21 12561483 MIVYRIAPGACNEY-DOTOQJQBSA-N 413.543 3.260 0 40 HGAB CCN(CC)Cc1ccc(CNC(=O)c2sc3nc4n(c(=O)c3c2C)CCC4)cc1 12917543 XWKGFDMWWOFJHX-UHFFFAOYSA-N 424.570 3.484 0 40 HGAB O=C(CCNC(=O)c1ccco1)NCCCCCc1nc(-c2cccs2)no1 12918373 DTLHURJYHXYCHG-UHFFFAOYSA-N 402.476 3.040 0 40 HGAB O=C(Nc1sc2c(c1C(=O)N1CCOCC1)CCCC2)[C@@H]1Cc2ccccc2O1 12939894 OVVVRUIXYCHVIP-KRWDZBQOSA-N 412.511 3.042 0 40 HGAB COc1ccc(N(CCC(N)=O)S(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)cc1 13009734 DJRMABRYSDXBHK-UHFFFAOYSA-N 404.532 3.308 0 40 HGAB Cc1ccc(C)c(NC(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCCO3)c1 13039788 KCEBCKVMMIUBAH-UHFFFAOYSA-N 418.515 3.162 0 40 HGAB Cc1cc(S(=O)(=O)N(C)Cc2ccccc2)c(C)n1S(=O)(=O)c1ccccc1 13585981 KQZXRZLVEVJOKG-UHFFFAOYSA-N 418.540 3.163 0 40 HGAB COC(=O)c1cccc(NS(=O)(=O)c2ccc(OC)c(Br)c2)c1 13668287 QDKLHVWOINFDAA-UHFFFAOYSA-N 400.250 3.045 0 40 HGAB CC[C@@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1 13681506 ZZWBSFYVGCVFBM-TZMCWYRMSA-N 407.363 3.450 0 40 HGAB CC[C@H](C(=O)Nc1cc(OC)ccc1OC)N(c1ccc(C)cc1)S(C)(=O)=O 13713149 QUGWQVGWWDAWMU-GOSISDBHSA-N 406.504 3.196 0 40 HGAB CC[C@@H](C(=O)Nc1cccc(C(=O)OC)c1)N(c1ccc(C)c(C)c1)S(C)(=O)=O 13716847 QWYVJYSYZSVAEN-IBGZPJMESA-N 418.515 3.273 0 40 HGAB O=C(NCCNC(=O)c1ccccc1C(F)(F)F)c1ccc(NC(=O)C2CC2)cc1 13854781 SYJMQCDEPMPIHO-UHFFFAOYSA-N 419.403 3.214 0 40 HGAB COc1ccc(NC(=O)c2ccc(NC(=O)CNC(=O)c3ccccc3F)cc2)cc1 14094310 MVSKUEHJUPLIRB-UHFFFAOYSA-N 421.428 3.455 0 40 HGAB O=C(NCCc1ccccc1)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl 15344766 UADQYFNHIFLBHA-UHFFFAOYSA-N 406.935 3.487 0 40 HGAB O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCN(Cc2ccsc2)CC1 15365214 LZMOZLYDLTUNRQ-UHFFFAOYSA-N 406.451 3.153 0 40 HGAB O=C(CCCN1C(=O)c2ccc(Br)cc2C1=O)NCCc1cccs1 17909693 MNKVNLWBCKYVNU-UHFFFAOYSA-N 421.316 3.246 0 40 HGAB CC(C)OC(=O)C[C@@H](NS(=O)(=O)c1cccc2nsnc12)c1ccccc1 19080200 SXKHPOKHHZYOQV-OAHLLOKOSA-N 405.501 3.053 0 40 HGAB CC[C@H](Oc1ccccc1F)C(=O)N1CC[C@H](c2cc(=O)[nH]c(-c3ccncc3)n2)C1 19499353 HHLRSVRRZKMUMK-LPHOPBHVSA-N 422.460 3.145 0 40 HGAB CC[C@H](CN1CCN(C)CC1)NC(=O)Cc1sc(C)nc1-c1ccc(C)c(C)c1 19500310 OPAJQCVBEKXAAE-HXUWFJFHSA-N 414.619 3.420 0 40 HGAB Cc1cc(=O)n(CC(=O)N[C@H](c2ccc(F)cc2)c2nccn2C)c2ccccc12 19566495 VKYSFQDMYIXZIA-JOCHJYFZSA-N 404.445 3.088 0 40 HGAB CCCCCOc1ccc(S(=O)(=O)NCCN2CCOCC2)c2ccccc12 19619063 UYEMTTOMRIYLOO-UHFFFAOYSA-N 406.548 3.019 0 40 HGAB COc1ccc(-c2cc(C(=O)NCCc3cc(Cl)c4c(c3)OCCO4)n[nH]2)cc1 19660100 JONDOXJXGFRMLH-UHFFFAOYSA-N 413.861 3.482 0 40 HGAB COc1cccc([C@H]2CCCN2C(=O)COc2ccc(-n3nc(C)cc3C)nn2)c1 19718876 MIFAIAJEXRSURT-LJQANCHMSA-N 407.474 3.030 0 40 HGAB COc1ccc(CN2C(=O)Cc3c(C)nc([C@H]4CCCN4C(=O)C(C)C)nc32)cc1 19739910 GTTYBWSJKMNPKV-LJQANCHMSA-N 408.502 3.202 0 40 HGAB C[C@H](CN(C)C(=O)c1cccn(CC(=O)NC2CCCCC2)c1=O)c1ccccc1 19751418 UOQGZUZMFGXCCU-GOSISDBHSA-N 409.530 3.173 0 40 HGAB CCN(CC(=O)N[C@H]1CCCc2ccccc21)S(=O)(=O)c1cc(F)ccc1OC 20016005 YCCMEKIFHKWTHN-SFHVURJKSA-N 420.506 3.039 0 40 HGAB CCOC(=O)N1CCN(c2nc(C)c3c(n2)C[C@@H](c2ccccc2C)CC3=O)CC1 20672666 VMJBHRWYMNMMFW-QGZVFWFLSA-N 408.502 3.285 0 40 HGAB CCOC(=O)c1c(NC(=O)CNC[C@@H](c2ccccc2)N(C)C)sc(C)c1C 22029730 RSTCGKXBBFMXMS-KRWDZBQOSA-N 403.548 3.373 0 40 HGAB CC(C)c1ccc(N(CC(=O)NCCCc2ccc(F)cc2)S(C)(=O)=O)cc1 22330144 XYZPVIIOTKAGEG-UHFFFAOYSA-N 406.523 3.464 0 40 HGAB O=C(COc1ccc(Cl)cc1Cl)NCC(=O)N1CCO[C@@H](c2ccccc2)C1 23127851 GSSWYDUUCAHQEU-GOSISDBHSA-N 423.296 3.089 0 40 HGAB Cc1cc(C)n(-c2ccc(C(=O)NC[C@@H](c3cccs3)N3CCOCC3)cc2)n1 23881470 DFVWQGPBILGMEY-FQEVSTJZSA-N 410.543 3.354 0 40 HGAB CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)c1cncn1-c1ccc(F)cc1 24278942 BUEJFJGDEBMPLM-UHFFFAOYSA-N 413.405 3.173 0 40 HGAB CCCN(Cc1nnc(-c2ccco2)o1)C(=O)C1CCN(C(=O)c2ccco2)CC1 25275609 UTMXTZLNQMTCPD-UHFFFAOYSA-N 412.446 3.214 0 40 HGAB Cc1noc2nc(-c3ccccc3F)cc(C(=O)N3CCN(C(=O)C4CC4)CC3)c12 25590427 XLYOLHVIELARKP-UHFFFAOYSA-N 408.433 3.032 0 40 HGAB COc1cc(I)c(Cl)cc1C(=O)N[C@H](C)[C@H]1CCCO1 27907166 ZHQUFHFOSMGGQA-PRHODGIISA-N 409.651 3.251 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)NC2CCCCC2)c(Cl)c1 28208099 OGFPTCLRWVPZGE-UHFFFAOYSA-N 402.944 3.198 0 40 HGAB CC(C)Oc1ccc(C(=O)Nc2cc(C(=O)N3CCCCCC3)cn(C)c2=O)cc1 36685892 MCTHLJJYGGBIDN-UHFFFAOYSA-N 411.502 3.441 0 40 HGAB CCCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)Nc1cc(OC)cc(OC)c1 40313008 FPAUPOMKZVKMSG-HSZRJFAPSA-N 423.469 3.031 0 40 HGAB biogenic Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCCN(C)C)c(Cl)c2)cc1 44900173 XXIJXXFNGQJRQX-UHFFFAOYSA-N 409.939 3.131 0 40 HGAB COc1ccc(-n2c(C)nnc2SCC(=O)NCCc2ccc(F)cc2)cc1 45293854 ONSXYLNSUQJRSE-UHFFFAOYSA-N 400.479 3.174 0 40 HGAB Cc1cc(C)nc(Nc2nc(C(=O)Nc3nc(C)c(C(=O)N(C)C)s3)cs2)n1 49032315 YLCNCFDXTYECHZ-UHFFFAOYSA-N 417.520 3.013 0 40 HGAB COc1ccc(S(=O)(=O)NCCOc2cccc3ccccc23)cc1NC(C)=O 56123817 HNBJODRIWGIZQC-UHFFFAOYSA-N 414.483 3.164 0 40 HGAB CC(=O)Nc1cccc(NC(=O)Cn2c(Nc3cccc(F)c3)nc(C)cc2=O)c1 57506372 BADROJFUJNSKIO-UHFFFAOYSA-N 409.421 3.032 0 40 HGAB O=C1Nc2ccccc2S(=O)(=O)N1Cc1csc(-c2ccc3c(c2)OCO3)n1 79020050 HEQNALOAJNDLDD-UHFFFAOYSA-N 415.452 3.275 0 40 HGAB COCCN(CC(=O)N[C@@H]1CCC[C@H]1OCc1ccccc1)C(=O)OC(C)(C)C 84199910 LEWXLJWHYWEMJO-RTBURBONSA-N 406.523 3.124 0 40 HGAB COc1ccc(CCc2nc(NC(=O)c3cc(-c4ccccc4OC)[nH]n3)n[nH]2)cc1 95472082 TZARZUBOCUWNEA-UHFFFAOYSA-N 418.457 3.250 0 40 HGAB COc1ccc([C@@H](N)c2nc(-c3cc(Br)ccc3O)n[nH]2)cc1OC 95533851 BUWSWNIQVOQOQF-OAHLLOKOSA-N 405.252 3.005 0 40 HGAB CC(C)n1nnc(-c2ccc(C(=O)NC3CCN(Cc4ccccc4)CC3)cc2)n1 96223940 XBGCNFRZBDRVGM-UHFFFAOYSA-N 404.518 3.315 0 40 HGAB CC(C)Cn1c(CCCNC(=O)Cn2ncc3ccccc3c2=O)nc2ccccc21 96232246 ZSFQOOXFVXXDDT-UHFFFAOYSA-N 417.513 3.151 0 40 HGAB Cc1ccc(CN2CCC3(CC2)O[C@H](C(=O)N2CCCC2)Cn2ccnc23)cc1C 96243698 SHGDJBWWWZPDFK-NRFANRHFSA-N 408.546 3.012 0 40 HGAB CC(C)CN1CC2(CCN(C(=O)c3cc(F)cc(F)c3)CC2)[C@]2(CCN(C)C2=O)C1 96262740 XQEVQDVORQRQKS-HSZRJFAPSA-N 419.516 3.007 0 40 HGAB CC(C)CS(=O)(=O)C1CCN(C(=O)Cc2ccc(Br)cc2)CC1 96374523 FRMISZXFRVQTJG-UHFFFAOYSA-N 402.354 3.053 0 40 HGAB C[C@H]1Oc2ccccc2C=C1/C=C(\NC(=O)c1ccccc1)C(=O)N1CCOCC1 100862664 LBBFHKLXBQXQFJ-RRMQHPPMSA-N 404.466 3.024 0 40 HGAB CCOC(=O)c1ccc(N2C(=O)N[C@@H]3C[C@]2(C)Oc2ccc(C(=O)OC)cc23)cc1 101085122 YVGYNGCNVSQNNJ-VGSWGCGISA-N 410.426 3.420 0 40 HGAB Cc1ccc(-c2noc(CN3N=N[C@@H]4C(=O)N(c5ccc(C)c(C)c5)C(=O)[C@@H]43)n2)cc1 101277559 VATKVPBORYPHSU-RBUKOAKNSA-N 416.441 3.155 0 40 HGAB COC(=O)CN(c1ccccc1OC)S(=O)(=O)c1cc(Cl)ccc1Cl 113880009 XDRVBHZEPJYVFQ-UHFFFAOYSA-N 404.271 3.370 0 40 HGAB Cc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)cc1 219012901 CIBGZZTURFEBHP-LJQANCHMSA-N 416.543 3.343 0 40 HGAB CC[C@@H](NC(=O)[C@@H](C)N(c1cccc(C)c1)S(C)(=O)=O)c1ccc(OC)cc1 220147329 GVEQEFWXAHMYDW-OXQOHEQNSA-N 404.532 3.426 0 40 HGAB COc1ccccc1CCCNC(=O)c1ccc(N(C)S(C)(=O)=O)cc1Cl 222519040 INFUTKTVSOVUKN-UHFFFAOYSA-N 410.923 3.107 0 40 HGAB CCCNS(=O)(=O)c1ccc(OCC(=O)N(C)c2ccc(C)c(C)c2)c(C)c1 222792036 ZMLUOSGBYNXPRM-UHFFFAOYSA-N 404.532 3.342 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(CCC(=O)N2CCOc3ccccc32)cc1 222884906 IEUDGYXJXPMBJH-UHFFFAOYSA-N 402.516 3.075 0 40 HGAB CC(C)CNS(=O)(=O)Cc1cccc(NC(=O)c2cc3ccccc3oc2=O)c1 223234071 CRQQSRUZIXTAJI-UHFFFAOYSA-N 414.483 3.121 0 40 HGAB CC[C@@H](C(=O)NCCSC1CCCC1)N(c1ccc(OC)cc1)S(C)(=O)=O 223999581 DYGCMRPFLIPPMA-SFHVURJKSA-N 414.593 3.032 0 40 HGAB COCc1cccc(NC(=O)CCCN(c2cccc(OC)c2)S(C)(=O)=O)c1 224691910 KCPNTKBXTKTXHR-UHFFFAOYSA-N 406.504 3.027 0 40 HGAB CCCc1cc(C(=O)N2CCC[C@@]3(C[C@@H](Oc4cccc(F)c4)CO3)C2)n(C)n1 257219228 DGCDBNFTFZSTTC-DENIHFKCSA-N 401.482 3.354 0 40 HGAB CCC(=O)N1CCC[C@@H](c2nc(C)c(CC(=O)NCc3ccc(F)cc3)c(C)n2)C1 257344911 ZZEAEKNGEMSCBZ-GOSISDBHSA-N 412.509 3.207 0 40 HGAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)Nc1ccc3c4c(cccc14)CC3)O2 260854516 ZGHHBUXYPJURTN-OAQYLSRUSA-N 422.506 3.413 0 40 HGAB COc1ccc(CN2C(=O)c3cccn3[C@@H]3CN(Cc4scnc4C)C[C@@H]32)cc1 306144653 ZKZCNVVPSJHILW-UXHICEINSA-N 408.527 3.343 0 40 HGAB COC(=O)c1ccc(OC)c(S(=O)(=O)NCc2nc(C3CCCCC3)cs2)c1 390828953 CKDFKTYBZPRWLO-UHFFFAOYSA-N 424.544 3.465 0 40 HGAB CC[C@H](C)NC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(OC)c(C)c1 408533124 PWEQKJQKQDPFHU-SFHVURJKSA-N 418.559 3.152 0 40 HGAB COc1ccc(Cl)cc1N1C[C@H](C(=O)OCC(=O)Nc2ccc(F)cc2)CC1=O 408647006 RUKVKFMDKLJYMW-GFCCVEGCSA-N 420.824 3.023 0 40 HGAB O=C(COC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)Nc1cccc(C(F)(F)F)c1 409128706 KRDYCSBIBXTOOQ-ZDUSSCGKSA-N 406.360 3.240 0 40 HGAB C[C@@H](C(=O)Nc1ccc(Br)cc1F)N(c1ccccc1)S(C)(=O)=O 409323786 QMSDYLBWZZGQPP-NSHDSACASA-N 415.284 3.381 0 40 HGAB COc1ccc(Br)c(C(=O)NCC2CCN(CC(F)(F)F)CC2)c1 474218573 ODIXFIOLQUVYDC-UHFFFAOYSA-N 409.246 3.462 0 40 HGAB CN1C(=O)c2ccc(-c3cnn(C)c3)cc2O[C@H]2CN(CCCc3ccccc3)C[C@H]21 514289024 FGMRFVMSXYJEPD-VWNXMTODSA-N 416.525 3.237 0 40 HGAB biogenic,in-vitro Cc1cc(C(=O)N2CCOC[C@H]2c2nc3ccccc3s2)ccc1N1CCNC1=O 669682014 KDXKCYYJNWNQBX-SFHVURJKSA-N 422.510 3.348 0 40 HGAB COCC(=O)N1CC[C@@H]2[C@H](C1)[C@@H](c1ccc(OC)cc1)CN2Cc1ccc(OC)cc1 1848351931 ZSHIKRZRKDERLY-WXFUMESZSA-N 424.541 3.167 0 40 HGAB CC(C)(C)c1ccc(OC[C@H]2CCN(C(=O)c3cncc(Br)c3)C2)nn1 1888856623 LMINBZNDOUGXEU-ZDUSSCGKSA-N 419.323 3.473 0 40 HGAB Cc1cc(N2C[C@H]3CN(c4ccc(C(F)(F)F)cn4)C[C@@H]3C2)n2nc(C)cc2n1 1888888406 SJECZEXACLGQSN-HUUCEWRRSA-N 402.424 3.333 0 40 HGAB COc1ccc(C(=O)N2CCC[C@@]3(CCCN(Cc4csc(C)n4)C3)C2)cn1 2056224196 LNWHKUIVQIAQMX-OAQYLSRUSA-N 400.548 3.374 0 40 HGAB COc1ccc([C@H]2NC(=O)N[C@@](O)(C(F)(F)F)[C@@H]2C(=O)c2ccc(C)cc2)cc1 912980 LECMBOBJABEQBY-FCEWJHQRSA-N 408.376 3.108 0 40 HGAB CCOc1cc(NC(=O)c2cccc(F)c2)c(OCC)cc1NC(=O)/C=C/C(=O)O 928821 GPISAJUMHKVOSX-CMDGGOBGSA-N 416.405 3.455 0 40 HGAB CCn1c(C)cc2c(c1=O)[C@H](c1ccc(Cl)c(Cl)c1)C(C(=O)OC)=C(N)O2 2196864 PEPCWHQOIHSBJF-AWEZNQCLSA-N 409.269 3.351 0 40 HGAB O=C(Nc1ccc(S(=O)(=O)NCc2ccco2)cc1)c1cc2ccccc2oc1=O 3363379 FOSSAXAGDKAMFR-UHFFFAOYSA-N 424.434 3.117 0 40 HGAB CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cccc(C(=O)OC)c2)ccc1Cl 3427800 ROLWAMPSORGGSR-UHFFFAOYSA-N 424.906 3.409 0 40 HGAB CC[C@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)Nc2ccccc2OC)C1=O 3464400 XIWXXYPNBQBTBV-HXUWFJFHSA-N 401.850 3.144 0 40 HGAB CCC[C@@H]1CCc2c(sc(NC(=O)[C@H]3[C@@H](C(=O)O)[C@H]4CC[C@@H]3C4)c2C(N)=O)C1 4019447 JCIATHCRWRGVQJ-POPZOMSYSA-N 404.532 3.437 0 40 HGAB Cc1cc(=O)oc2cc(OCC(=O)N3CC[C@@]4(O)CCCC[C@H]4C3)c(Cl)cc12 4073190 BTQSOPJJNTXHCY-QKKBWIMNSA-N 405.878 3.287 0 40 HGAB biogenic COc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@H]1c1cccc(OC)c1OC 4279876 NCDRCUAKVUWISN-IBGZPJMESA-N 421.457 3.232 0 40 HGAB COc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1cccc(OC)c1OC 4279877 NCDRCUAKVUWISN-LJQANCHMSA-N 421.457 3.232 0 40 HGAB C[C@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)NCc2ccc(Cl)cc2)C1=O 4468480 XBFKZACKWOVGHX-LJQANCHMSA-N 406.269 3.077 0 40 HGAB Cc1ccc(S(=O)(=O)CCC(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)cc1 4496186 BHKFEDPCOYELIH-UHFFFAOYSA-N 406.529 3.409 0 40 HGAB CCCCC(=O)N[C@]1(C(F)(F)F)C(=O)N(Cc2ccccc2)C(C)=C1C(=O)OC 4624162 UKYLRPTWNRZVBK-IBGZPJMESA-N 412.408 3.083 0 40 HGAB C[C@H](Sc1nncn1-c1ccccc1)C(=O)Nc1ccc(N2CCOCC2)cc1 4835204 GPFPVSGOUQLNRT-INIZCTEOSA-N 409.515 3.223 0 40 HGAB COc1ccccc1[C@@H](C(=O)NC1CCCCC1)N(C(=O)c1csnn1)C1CC1 4965081 CWBQCRMTHCDALZ-IBGZPJMESA-N 414.531 3.342 0 40 HGAB CCN1CCN(c2c3c(nc4cc(-c5cc(OC)cc(OC)c5)nn24)CCCC3)CC1 4980802 AIWCOJOAKGKQRI-UHFFFAOYSA-N 421.545 3.434 0 40 HGAB Cc1ccccc1-n1nc2c(c1NC(=O)c1ccc(F)c(F)c1)CS(=O)(=O)C2 5078019 JOOFMJHTHBSFDQ-UHFFFAOYSA-N 403.410 3.140 0 40 HGAB O=C(CCS(=O)(=O)c1ccc(F)cc1)Nc1nnc(-c2ccccc2Cl)o1 5189653 TUIKHDRGWUFJFK-UHFFFAOYSA-N 409.826 3.332 0 40 HGAB Cc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3n2CCO[C@@H]3c2ccc(F)cc2)cc1 5348699 DHGWHDTXFWNYBB-JOCHJYFZSA-N 419.456 3.273 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cccnc1SC 5558999 DYONMDAVQDUGQQ-UHFFFAOYSA-N 421.544 3.239 0 40 HGAB CCc1ccccc1NC(=O)COC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 5878621 NXRQCPFYEZOPLV-HNNXBMFYSA-N 400.862 3.437 0 40 HGAB C[C@H](NC(=O)c1ccc(C(=O)c2ccccc2)cc1)c1ccc(S(N)(=O)=O)cc1 6510445 RQPDGGZUHZNDBT-HNNXBMFYSA-N 408.479 3.056 0 40 HGAB COc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1OC 6790402 INDCVEDXWBYPSZ-UHFFFAOYSA-N 418.515 3.060 0 40 HGAB Cc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)c(C)n1-c1ccccc1C(=O)O 7468855 LQJZYHDHRPKBFI-LDADJPATSA-N 421.453 3.197 0 40 HGAB CCOc1cc(CNn2nnnc2N)cc(Cl)c1OCc1ccccc1Cl 7602489 ALZUQJOUXOVUPQ-UHFFFAOYSA-N 409.277 3.284 0 40 HGAB COc1ccc([C@H]2CCCN2CC(=O)Nc2ccccc2C(=O)NC2CC2)c(OC)c1 7741162 JJAWLVBWONZYPQ-OAQYLSRUSA-N 423.513 3.372 0 40 HGAB CN(Cc1nc2ccccc2s1)C(=O)CSc1nnnn1-c1cccc(F)c1 8185401 TZHCYAIQXWEZPC-UHFFFAOYSA-N 414.491 3.162 0 40 HGAB COc1ccc(S(=O)(=O)NCCc2csc(-c3cccc(F)c3)n2)c(OC)c1 8768837 UQNWTSBCRLSZTN-UHFFFAOYSA-N 422.503 3.487 0 40 HGAB CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)Nc2ccc(C(C)C)cc2)cc1 9113990 BVTIUIIVMZAYJF-UHFFFAOYSA-N 403.504 3.076 0 40 HGAB Cn1nc(C(=O)Nc2nnc(SCc3cccs3)s2)c2ccccc2c1=O 9496657 NVKZUXRHWUEONG-UHFFFAOYSA-N 415.525 3.391 0 40 HGAB C[C@@H](Sc1nnc(NCc2ccco2)s1)C(=O)Nc1sccc1C(N)=O 9779208 FKDHWCSWJRQREI-MRVPVSSYSA-N 409.518 3.023 0 40 HGAB Cc1cccc(CCCNC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2C)c1 10110810 UQEYHERKKINEPI-UHFFFAOYSA-N 400.544 3.451 0 40 HGAB CCOc1cc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCCO)ccc1O 11916939 QLZDNPPBRGUIHI-FQEVSTJZSA-N 409.438 3.133 0 40 HGAB Cc1ccc2nc(C)c(NC(=O)c3ccc(I)cc3)c(=O)n2c1 12180784 VDIAJKLMVABBOD-UHFFFAOYSA-N 419.222 3.168 0 40 HGAB C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)Nc3ccc4c(c3)CCC4)c2)C[C@@H](C)O1 12540074 HSSCKQBGRXUAKW-IYBDPMFKSA-N 414.527 3.226 0 40 HGAB CCN(C(=O)COC(=O)/C=C/c1cc(OC)c(OC)c(OC)c1)C1CCCCC1 12555822 XIMWOUYTSPXFLI-VAWYXSNFSA-N 405.491 3.450 0 40 HGAB Cc1ccc(S(=O)(=O)N(C)C)cc1NS(=O)(=O)c1ccccc1C(F)(F)F 12557203 FKLBPTLSNSHJSA-UHFFFAOYSA-N 422.450 3.065 0 40 HGAB Cc1ccc(-n2nc(C)c(NC(=O)CN3C(=O)N[C@]4(CCCC[C@H]4C)C3=O)c2C)cc1 12753688 QNXQNTZUALRNMK-CMJOXMDJSA-N 423.517 3.237 0 40 HGAB CS(=O)(=O)c1ccc2nc(NC(=O)[C@H]3Cc4cc(Cl)ccc4O3)sc2c1 12771310 MJJRZTIAUJSWJN-CQSZACIVSA-N 408.888 3.295 0 40 HGAB C/C=C/c1ccc(OC[C@@H](O)CN2C(=O)N[C@@](C)(C3CCCCC3)C2=O)c(OC)c1 12853459 BEBYHBBRXFZBAL-MJVRMULPSA-N 416.518 3.359 0 40 HGAB O=C(CN1CCC(NC(=O)NCC2(c3ccccc3)CC2)CC1)Nc1ccccc1 12984108 QJRNXPGSLYMABO-UHFFFAOYSA-N 406.530 3.121 0 40 HGAB O=C(CN1CCN(C(=O)c2ccccc2SC(F)F)CC1)NCc1ccccc1 12998860 DHZQYFOXAQLIBN-UHFFFAOYSA-N 419.497 3.076 0 40 HGAB COc1ccc(C(=O)N(C)Cc2ccccc2Cl)cc1S(=O)(=O)NC1CC1 13002020 OGNNOBRDJZQEMW-UHFFFAOYSA-N 408.907 3.062 0 40 HGAB CCOc1cc(/C=C2\N=C(c3ccccc3C)OC2=O)ccc1OCC(=O)N(C)C 14241475 HDCKWSRPENMVJG-PDGQHHTCSA-N 408.454 3.205 0 40 HGAB CN(C)S(=O)(=O)c1ccc2c(c1)CCN2Cc1c(F)c(F)c(F)c(F)c1F 15402855 MQUAQSXLCHIUEX-UHFFFAOYSA-N 406.376 3.195 0 40 HGAB O=C(COc1ccc(S(=O)(=O)Nc2ccccc2)cc1)N1CCc2ccccc2C1 16490314 VDFPIGQLKFPPHO-UHFFFAOYSA-N 422.506 3.451 0 40 HGAB Cc1ccc(CNC(=O)Cc2csc(Nc3ccc(S(C)(=O)=O)cc3)n2)cc1 16850426 HGEYGJIEULAHJB-UHFFFAOYSA-N 415.540 3.458 0 40 HGAB O=C(Cc1ccc(F)cc1)N[C@@H](Cc1cc(=O)[nH]c(N2CCCC2)n1)c1ccccc1 19369352 XPUUDAXMFXXUCV-NRFANRHFSA-N 420.488 3.152 0 40 HGAB CCn1nc(C)c([C@@H](C)NS(=O)(=O)c2cc(Cl)c(OC)cc2OC)c1C 19523787 UEXAPIZQCUAWDV-LLVKDONJSA-N 401.916 3.230 0 40 HGAB COCCC(=O)N[C@@H](c1ccccn1)[C@@H]1CCCN(Cc2cccc(F)c2F)C1 19593236 HYCNNXBSAHFYPV-VGOFRKELSA-N 403.473 3.466 0 40 HGAB COc1ccc2c(c1)c(C[C@@H](C)NC(=O)c1cc(=O)n(C)c3ccccc13)cn2C 19714373 BHOUUONFSKCIHK-OAHLLOKOSA-N 403.482 3.400 0 40 HGAB Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)Nc2c(F)cccc2F)CC1 19867678 WNOBLYUYVBSXJS-UHFFFAOYSA-N 408.470 3.454 0 40 HGAB COc1ccc(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)cc1S(=O)(=O)N(C)C 20024877 YGYTVYMEVPNLGA-UHFFFAOYSA-N 420.384 3.356 0 40 HGAB CN1CCN(CCCNC(=O)c2ccc(CN3CCCc4ccccc43)cc2)CC1 22525394 JWMHWIXNIKLQIH-UHFFFAOYSA-N 406.574 3.007 0 40 HGAB CCOC(=O)c1ccc(OC[C@H](O)CSc2nc(-c3cccs3)n[nH]2)cc1 22954984 LLCSKEGCNFXFJU-ZDUSSCGKSA-N 405.501 3.242 0 40 HGAB Cn1c(=O)[nH]c(=O)c2c1nc(SCc1ccccc1)n2CCCOc1ccccc1 23115407 RDXIFPIBAVMNFO-UHFFFAOYSA-N 422.510 3.185 0 40 HGAB CN(Cc1ccccc1N1CCCC1)c1ccc(S(=O)(=O)N2CCCC2)cn1 23818631 AOYPRWXUUFXUNU-UHFFFAOYSA-N 400.548 3.103 0 40 HGAB CC(=O)N(c1ccccc1)c1nc(COC(=O)c2n[nH]c(=O)c3ccccc23)cs1 24829152 HWJMPNQQAMRYBU-UHFFFAOYSA-N 420.450 3.421 0 40 HGAB CNC(=O)c1ccc(CN(C(=O)c2nn(-c3ccc(C)cc3C)nc2C)C2CC2)cc1 26119390 JAMKFFWYUWPINY-UHFFFAOYSA-N 417.513 3.357 0 40 HGAB COc1ccc([C@@H]2CCCN2C(=O)CN2C(=O)N[C@](C)(c3ccc(C)cc3)C2=O)cc1 27153755 PVNUGXYVGHYUEA-GBXCKJPGSA-N 421.497 3.134 0 40 HGAB COc1cc(OC)cc([C@H](NC(=O)c2ccc(Br)o2)c2nccn2C)c1 29130669 UTKKIBINVICGMQ-INIZCTEOSA-N 420.263 3.312 0 40 HGAB O=C(c1ccccc1)C1CCN(c2nc(N3CCCC3)nc(N3CCCC3)n2)CC1 29997484 FXAKKUQESFTERI-UHFFFAOYSA-N 406.534 3.171 0 40 HGAB CN1C(=O)COc2ccc(-c3csc(NC(=O)C(Cl)(Cl)Cl)n3)cc21 31773457 QKOAUJMRFOAWCE-UHFFFAOYSA-N 406.678 3.474 0 40 HGAB Cc1nn(-c2ncnc3[nH]cnc23)c2c1[C@H](c1ccc(Cl)cc1)SCC(=O)N2 31806816 IMAHHXPNYRAQDU-HNNXBMFYSA-N 411.878 3.275 0 40 HGAB Cc1ccc(N2C[C@H](C(=O)NCCCN3CCc4ccccc4C3)CC2=O)cc1F 32400949 ASYBDMMWEJHZPJ-HXUWFJFHSA-N 409.505 3.052 0 40 HGAB CC(=O)c1cccc(N2C(SCc3ccc(C)cc3)=N[C@H]3CS(=O)(=O)C[C@H]32)c1 32640765 UYYNHENIARTZJS-VQTJNVASSA-N 414.552 3.473 0 40 HGAB CCc1c(C(=O)N2CCC(c3c[nH]c4ccccc34)CC2)cnn1-c1ccc(O)nn1 32786763 SSYINTQFYKIRQI-UHFFFAOYSA-N 416.485 3.431 0 40 HGAB CCCC[C@H](C(=O)O)N1C(=O)/C(=C\c2cc(OC)c(O)c(OC)c2)SC1=S 35040758 AVOXSUIGDGAQLV-ZECSTPGPSA-N 411.501 3.254 0 40 HGAB COc1cccc(N(C)S(=O)(=O)c2ccsc2C(=O)n2nc(C)cc2C)c1 35462679 NTHOTGFVKUVLQM-UHFFFAOYSA-N 405.501 3.084 0 40 HGAB COc1ccc(CCNC(=O)[C@@H]2CC(=O)N([C@@H]3CCC[C@H](C)[C@H]3C)C2)cc1OC 36390142 QJGDYQIUFXYBLW-QFHJOOASSA-N 402.535 3.036 0 40 HGAB CC(C)(C(=O)NCCCn1nc2c(c1C(F)(F)F)CCC2)n1cc(Cl)cn1 36614357 FIJBTGZBQNSDRU-UHFFFAOYSA-N 403.836 3.182 0 40 HGAB O=C(Nc1cccc(C(=O)N2CCC[C@H]2c2nnc3n2CCCCC3)c1)[C@@H]1CCCO1 40080366 OTSRLOHUYCTWLL-OALUTQOASA-N 423.517 3.099 0 40 HGAB C[C@@H](Oc1ccc(Br)cc1)C(=O)NCc1nncn1-c1ccccc1 40088248 VBYZHUHKIKBGMU-CYBMUJFWSA-N 401.264 3.114 0 40 HGAB CN(C)[C@H](CNC(=O)[C@@H]1CCCN(C(=O)c2ccoc2)C1)c1ccccc1Cl 43728862 NQXFGMRKTUGEPS-DNVCBOLYSA-N 403.910 3.204 0 40 HGAB CC[C@H](C)C(=O)Nc1cccc(CNC(=O)CCn2c(=O)n(C)c3ccccc32)c1 48356157 AOSALNDSDPWEHL-INIZCTEOSA-N 408.502 3.031 0 40 HGAB CC(C)(C)NS(=O)(=O)c1cc(C(=O)N2CC(=O)Nc3ccccc32)ccc1Cl 57390693 QGOPCBYEBCSPEI-UHFFFAOYSA-N 421.906 3.016 0 40 HGAB Cc1cc(-n2c(=O)c3sccc3n(CC(=O)N3CCCC[C@@H]3C)c2=O)ccc1F 57494392 CTCNZLQYGIIRGB-AWEZNQCLSA-N 415.490 3.062 0 40 HGAB Cc1cc(=O)n(CC(=O)NCc2ccc(Cl)cc2)c(N2CCc3ccccc3C2)n1 57506592 ZNEPEZUDFDZSTB-UHFFFAOYSA-N 422.916 3.084 0 40 HGAB CC(C)CCn1c(=O)c2ccccc2n(CC(=O)Nc2nc3ccccc3s2)c1=O 57526228 OHNKWUMKBMGPDX-UHFFFAOYSA-N 422.510 3.458 0 40 HGAB CCc1ccc(NC(=O)Cn2c(=O)n(Cc3ccco3)c(=O)c3ccccc32)cc1 67197160 ZWKPNZOVDOEJIG-UHFFFAOYSA-N 403.438 3.006 0 40 HGAB O=C(c1csc(-c2ccccc2)n1)N1CCN(C(=O)c2cnn3ccccc23)CC1 77101242 OJLKBCSCKVBDIG-UHFFFAOYSA-N 417.494 3.056 0 40 HGAB CC(=O)O[C@@H]1C[C@H](C)[C@@](C)(CCC2=CC(=O)OC2)[C@@H]2CCC[C@@]3(CO3)[C@]21OC(C)=O 95871205 WCFFWCZNBGXTAH-DCZKUXAXSA-N 420.502 3.099 0 40 HGAB CN1CCN(C(=O)C[C@@H]2CC3(CCN(Cc4ccco4)CC3)c3ccccc32)CC1 96052921 QQYAQVRSHMAXRI-HXUWFJFHSA-N 407.558 3.465 0 40 HGAB Cc1c(C)c2ccc(O[C@@H](C)C(=O)NC[C@H]3CC[C@H](C(=O)O)CC3)cc2oc1=O 100762586 UIEDXWDNSUSTHH-HRCADAONSA-N 401.459 3.184 0 40 HGAB O=C1C[C@@H](Sc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2)[C@@H]2CO[C@@H]1O2 101066384 PBCOBQHRAKETTK-GZBFAFLISA-N 400.353 3.477 0 40 HGAB C[C@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)[C@H]2COc3ccccc3O2)cc1 101273935 DACOYTKBZIPXTM-MGPUTAFESA-N 416.499 3.028 0 40 HGAB Cc1ccc(N2C(=O)[C@@H]3[C@@H](N=NN3Cc3nc(-c4ccccc4C)no3)C2=O)cc1C 101277577 ZCPKYOBRLXLVOM-MOPGFXCFSA-N 416.441 3.155 0 40 HGAB O=C(c1nnsc1NC(=O)N1CCCC[C@@H]1c1cccnc1)N1CCCCC1 101377065 HLSSHLAMVHUCDA-OAHLLOKOSA-N 400.508 3.318 0 40 HGAB O=C(CCc1ccccc1Br)NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1 108141127 NFWBWQJZRLZGPZ-RBUKOAKNSA-N 417.347 3.133 0 40 HGAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)COC(=O)c1ccc(I)cc1 108870340 AWURNTZRMJTBRE-TYNCELHUSA-N 415.271 3.389 0 40 HGAB COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)[C@H](C)Oc1cc(C)ccc1C 216440096 TZSSGGYEWYGBBG-INIZCTEOSA-N 420.531 3.405 0 40 HGAB CCc1ccc(N([C@@H](C)C(=O)NCCCc2ccc(OC)cc2)S(C)(=O)=O)cc1 220283358 FYXASIFNGYLAPI-KRWDZBQOSA-N 418.559 3.161 0 40 HGAB CCc1ccc(N([C@@H](C)C(=O)NCCCc2cccc(C)c2)S(C)(=O)=O)cc1 220284360 DTSULFCMSNLSAF-SFHVURJKSA-N 402.560 3.461 0 40 HGAB O=C(O)c1[nH]c(=O)n(-c2ccc(Oc3ccccc3)cc2)c(=O)c1CN1CCCCC1 222673172 AZFVFGBMIPPRNI-UHFFFAOYSA-N 421.453 3.002 0 40 HGAB CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N[C@@H](C)c1ccc(F)cc1 222737521 SRNQUWBQWLIJET-LIRRHRJNSA-N 408.495 3.256 0 40 HGAB S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2Cc2ccccn2)N1C[C@@H]1CCCO1 223321275 TZVCMGFBVUSUPN-VLCRHTCISA-N 419.554 3.478 0 40 HGAB CCOc1ccc(N([C@@H](C)C(=O)NCCc2ccc(Cl)cc2)S(C)(=O)=O)cc1 223706822 AWHLWPNAXZVSAB-HNNXBMFYSA-N 424.950 3.252 0 40 HGAB CCN(Cc1ccc(C(=O)NCC(C)C)cc1)S(=O)(=O)c1ccc(OC)cc1 224463580 YIKSGYVURUHIMQ-UHFFFAOYSA-N 404.532 3.292 0 40 HGAB CS(=O)(=O)Nc1ccc(Cl)c(C(=O)NCc2cccc(CN3CCCC3)c2)c1 224622744 QBUSCIKEZFOVMT-UHFFFAOYSA-N 421.950 3.237 0 40 HGAB CSc1ccc(S(=O)(=O)Nc2ccc(N3CCOCC3)cc2)cc1NC(C)=O 225017805 ODQBSDKXECVZFN-UHFFFAOYSA-N 421.544 3.004 0 40 HGAB COC(=O)[C@@H]1CN(C(=O)c2ccc(Nc3nc(C)cc(C)n3)cc2)c2ccccc2O1 225912837 JSYFYKPDFRGMEF-FQEVSTJZSA-N 418.453 3.418 0 40 HGAB COc1ccc(NC(=O)[C@@]2(C)CCCN(c3ccc(OC)cc3)S2(=O)=O)cc1 225951790 ZUGHBBHDYJHOFH-HXUWFJFHSA-N 404.488 3.031 0 40 HGAB C[C@H](C(=O)Nc1ccccc1CN1CCCCC1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 253375268 PBURPTYVIMFIBE-COPBIKPMSA-N 409.530 3.031 0 40 HGAB Cn1cc(CNC[C@H]2CC[C@@H]3CN(C(=O)c4ccccc4)c4ccccc4CN23)cn1 306135229 OLJKWZVTIQXYAM-DHIUTWEWSA-N 415.541 3.203 0 40 HGAB COc1ccc(S(=O)(=O)N(CC(=O)NCCC(C)C)Cc2ccccc2)cc1C 408550428 DYKVEJIQHJLLSN-UHFFFAOYSA-N 418.559 3.357 0 40 HGAB COc1ccc(Cl)cc1NC(=O)CCC(=O)OCC(=O)N[C@H](C)c1ccccc1 408645436 KQYDNYBUIJWUJS-CQSZACIVSA-N 418.877 3.488 0 40 HGAB O=C(N[C@H]1C(=O)N/[N+](=C\c2ccccc2)[C@@H]1c1ccccc1)c1ccc(Cl)cc1 409061219 BZSUVPMUOCJDBU-MKTJXXHISA-O 404.877 3.356 0 40 HGAB CCN(CC)[C@H]1CCN(c2cc(C3CC3)nc(N3CC[C@@H](N(CC)CC)C3)n2)C1 553398514 FLNQPJMGHOFIHL-VQTJNVASSA-N 400.615 3.195 0 40 HGAB CC(C)n1ncc2c1-c1ccccc1OC21CCN(C(=O)Cc2ccn(C)n2)CC1 585106391 WNDAIRNECNQXBG-UHFFFAOYSA-N 405.502 3.317 0 40 HGAB COC(=O)c1cc(Br)ccc1NC(=O)c1cnn(-c2ccccn2)c1C 603563526 PSLYLVNOSZYNNT-UHFFFAOYSA-N 415.247 3.377 0 40 HGAB CCN1C(=O)[C@@H]2CN(c3ccc4cc(Br)cc(Cl)c4n3)CCN2C1=O 678942615 VQHXHFFAZBSGON-ZDUSSCGKSA-N 423.698 3.123 0 40 HGAB CN(c1ncc(Cl)cn1)C1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 1889206531 VQRNBGZQSDKQEL-UHFFFAOYSA-N 401.319 3.073 0 40 HGAB O=C1COc2ccc(F)cc2CCCC[C@@H]2CN(CCCn3cccn3)CC[C@@H]2N1 2037988897 MYEKWHPUCNJISO-CTNGQTDRSA-N 414.525 3.024 0 40 HGAB COc1cc(CNc2cc3n(c(=O)n2)CCc2cc(OC)c(OC)cc2-3)cc(OC)c1 2152918 YHIVAQJLOVDHQU-UHFFFAOYSA-N 423.469 3.113 0 40 HGAB biogenic Cc1cc(Cl)cc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@@H]2CCCN21 2232308 MLICOSSRVQCELY-FXKZBUDASA-N 421.884 3.080 0 40 HGAB COCCN1C(=O)c2oc3cc(C)c(C)cc3c(=O)c2[C@@H]1c1ccc(C(=O)OC)cc1 2703630 NMNSWDANMPNGGO-FQEVSTJZSA-N 421.449 3.388 0 40 HGAB Cn1ncc(NC(=O)c2sc3cccc(OC(F)F)c3c2Cl)c1C(N)=O 2793621 NDHFMQHLCVCSMK-UHFFFAOYSA-N 400.794 3.241 0 40 HGAB Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)nc3)cc2)nc(C)n1 3262176 DENQZODIGSTZSF-UHFFFAOYSA-N 417.878 3.195 0 40 HGAB Cc1cc(NC(=O)COC(=O)Cn2cnc3ccccc32)ccc1Br 3293219 BRNUQUCUSSTUBX-UHFFFAOYSA-N 402.248 3.289 0 40 HGAB COc1ccc(OCCC(=O)OCc2cc(=O)n3c(n2)sc2ccccc23)cc1 3357172 IATFOEFVUSZHTF-UHFFFAOYSA-N 410.451 3.430 0 40 HGAB Cc1c(Cl)cccc1NC(=O)/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1 3554194 SHWQBBOEMAIMQI-JXMROGBWSA-N 420.918 3.321 0 40 HGAB Cc1ccc(-n2nnc3c(SCC(=O)NCc4ccc(F)cc4)ncnc32)cc1 4166635 LAZGVRFYKYLESG-UHFFFAOYSA-N 408.462 3.067 0 40 HGAB COC(=O)[C@](Nc1ccccc1OC)(c1cc(OC)c(O)c(OC)c1)C(F)(F)F 4624692 HFVNWOHSPMYABY-GOSISDBHSA-N 415.364 3.461 0 40 HGAB CCOC(=O)c1cc(NC(=O)COc2ccc(Cl)cc2)ccc1N1CCOCC1 4705143 WYZCRDQFIAZJRH-UHFFFAOYSA-N 418.877 3.371 0 40 HGAB Cc1cc(C)cc(NC(=O)NC2CCN(CC(=O)Nc3ccc4c(c3)OCO4)CC2)c1 4909578 NZKJSKRWADFNLY-UHFFFAOYSA-N 424.501 3.257 0 40 HGAB COc1ccc(N2C[C@@H](NC(=O)Nc3ccc(F)c(Cl)c3)CC2=O)cc1OC 5202179 SVZKLCYKGAWYCW-LBPRGKRZSA-N 407.829 3.423 0 40 HGAB COc1ccc(OC)c(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)C2CC2)CCC3)c1 5252373 FKJNGXJTLLLGDY-UHFFFAOYSA-N 416.499 3.194 0 40 HGAB CN(C)CCCC1=C([N+](=O)[O-])C=CC([N+](=O)[O-])=C(CCCN(C)C)N1C(F)(F)F 5258424 FGHXWQNYTHNNBV-UHFFFAOYSA-N 421.420 3.038 0 40 HGAB C[C@H]1Cc2ccccc2N1C(=O)COC(=O)c1ccccc1SCC(=O)N(C)C 5349957 XITNVZMXSZSZRK-HNNXBMFYSA-N 412.511 3.002 0 40 HGAB COC(=O)c1ccc(NC(=O)Cn2cnc3c(Cl)cc(Cl)cc3c2=O)cc1 6087175 PNFGOAVARRFUFK-UHFFFAOYSA-N 406.225 3.129 0 40 HGAB CCOC(=O)N1CCN(C(=O)[C@@H](NC(=O)c2ccc(C(C)(C)C)cc2)C(C)C)CC1 6510200 WRWYKJZCDAHUPD-IBGZPJMESA-N 417.550 3.039 0 40 HGAB COC(=O)c1ccc(C)c(NC(=O)CCc2c(C)nc3nc(SC)nn3c2C)c1 6551342 IKWHDYHRGYNYMH-UHFFFAOYSA-N 413.503 3.129 0 40 HGAB O=C(Nc1nccs1)c1cc(S(=O)(=O)N2CCc3ccccc3C2)cs1 6681401 ZQHZACSWBGLWTH-UHFFFAOYSA-N 405.526 3.204 0 40 HGAB CCOC(=O)C1CCN(C(=O)CSc2nccn2-c2ccc(C)c(C)c2)CC1 6979377 SQOKAGASKWWREI-UHFFFAOYSA-N 401.532 3.383 0 40 HGAB CCOc1cc(/C=C(/C#N)C(=O)NC(N)=O)cc(Br)c1O[C@@H](C)CC 7078169 AAZOKXZSNJXUNI-OGGBREFQSA-N 410.268 3.127 0 40 HGAB Cc1ccc(NC(=S)NCCSc2ccc(Cl)cc2)cc1S(N)(=O)=O 7369037 LCFZLIUCEHMQHG-UHFFFAOYSA-N 415.993 3.375 0 40 HGAB COC(=O)c1ccc(NS(=O)(=O)c2c(C(=O)OC)sc3ccccc23)cc1 7428363 VRRQXXLPBKJXIE-UHFFFAOYSA-N 405.453 3.275 0 40 HGAB COc1ccc(Cl)cc1NC(=O)[C@H](C)OC(=O)CCn1c(=O)oc2ccccc21 7621144 LYLIRCXJGZABJW-LBPRGKRZSA-N 418.833 3.217 0 40 HGAB COc1ccc(OCCCC(=O)N2CCN(C(=O)c3ccccc3Cl)CC2)cc1 8074882 JTGKKDIWSXVUGR-UHFFFAOYSA-N 416.905 3.492 0 40 HGAB CC(=O)c1oc2ccccc2c1NC(=O)CSc1nnnn1-c1ccc(O)cc1 8278498 KTFDVVOMWMXRNH-UHFFFAOYSA-N 409.427 3.048 0 40 HGAB COc1ccc(NC(=O)CCC(=O)OCC(=O)Nc2cc(Cl)ccc2OC)cc1 8412270 KJEFUIQMGNEEBE-UHFFFAOYSA-N 420.849 3.258 0 40 HGAB CS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)c1 9503257 XPYVLKKPGDQZBS-GOSISDBHSA-N 401.484 3.229 0 40 HGAB Nn1c(SCc2nnnn2-c2ccccc2)nnc1-c1ccc(Cl)cc1Cl 9516331 MTUTVSJKXIZTCR-UHFFFAOYSA-N 419.301 3.234 0 40 HGAB C[C@@H]1CCc2c(sc(NC(=O)CCCS(=O)(=O)c3ccccc3)c2C(N)=O)C1 9912013 GMTQCEMDDBGALZ-CYBMUJFWSA-N 420.556 3.164 0 40 HGAB CCn1c(SCC(=O)N(C)CC(=O)Nc2ccc(F)cc2)nc2ccccc21 10054561 GWBDLJXAERRNMA-UHFFFAOYSA-N 400.479 3.385 0 40 HGAB COc1ccc(N([C@@H](C)C(=O)Nc2c(F)cccc2F)S(C)(=O)=O)cc1Cl 10372267 QFFRFHZRSRBHND-JTQLQIEISA-N 418.849 3.420 0 40 HGAB COc1ccc2nc(-c3ccc(OC)c(NS(=O)(=O)c4ccccc4)c3)cn2n1 11693554 ZBRYODBSEALVFV-UHFFFAOYSA-N 410.455 3.214 0 40 HGAB CCCn1ncc(C)c1NC(=O)Cn1nc2c(C)cc3c(C)cc(C)cc3n2c1=O 12144891 BJJLDLOGXSEMEI-UHFFFAOYSA-N 406.490 3.128 0 40 HGAB O=C(CSCc1nc2ccccc2[nH]1)N1CCC(c2nnc3ccccn23)CC1 12322809 KFVTUQYGSPEIHY-UHFFFAOYSA-N 406.515 3.245 0 40 HGAB CCOC(=O)N1CCC(NC(=O)CSc2nccn2-c2cccc(C)c2C)CC1 12534986 PXUJHKKPXXQFQY-UHFFFAOYSA-N 416.547 3.318 0 40 HGAB CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)N2CC[C@H]3CCCC[C@H]3C2)c1 12606280 KBTYRGWEUHJUTI-MSOLQXFVSA-N 419.591 3.189 0 40 HGAB CN(Cc1cccc(F)c1)C(=O)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 12784933 CYTYJGDGPSFZEJ-NTCAYCPXSA-N 416.518 3.497 0 40 HGAB CNC(=O)c1ccc(NC(=O)c2ccc(OCC(=O)N3[C@@H](C)CCC[C@H]3C)cc2)cc1 12805177 IWNINUDXYWCBFG-CALCHBBNSA-N 423.513 3.467 0 40 HGAB Cc1ccc2c(c1)C(=O)C[C@@H]([C@@H]1CCCN(C(=O)CSc3nnc(C)o3)C1)O2 13227487 YFBPZGGSQWDPMV-KDOFPFPSSA-N 401.488 3.051 0 40 HGAB CCS(=O)(=O)N(C)c1ccc(C(=O)Nc2ccccc2C(=O)NCC(C)C)cc1 14396501 MYWSXLXAMLTCBJ-UHFFFAOYSA-N 417.531 3.111 0 40 HGAB CCCS(=O)(=O)N1CCCc2cc(NS(=O)(=O)Cc3ccccc3)ccc21 17286934 RLEPFDWUWSAMMJ-UHFFFAOYSA-N 408.545 3.121 0 40 HGAB CC(=O)Nc1ccc(CN2CCC[C@@H](c3ncc(Cl)cc3S(C)(=O)=O)C2)cc1 19022467 BXCCODHGADINKK-MRXNPFEDSA-N 421.950 3.477 0 40 HGAB Cc1ccc(C(=O)N2CCC(c3cc(N(C)C)nc(-c4cnccn4)n3)CC2)s1 19216872 SYJCUVGLNJJVMN-UHFFFAOYSA-N 408.531 3.389 0 40 HGAB O=C(NCCn1cc2c(n1)[C@H]1CN(C(=O)c3ccccc3)C[C@H]1CC2)c1ccccc1 19369089 ONHCZCRFSDXKMK-IRLDBZIGSA-N 414.509 3.115 0 40 HGAB COCC(=O)N1CC[C@@](Cc2ccccc2-c2cccs2)(C(=O)NC(C)C)C1 19449247 VPBWWVGSGWMWPT-QFIPXVFZSA-N 400.544 3.347 0 40 HGAB CCCCn1nc(C)c(CNc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)c1C 19502417 ZLOBUGBIBGHSSK-UHFFFAOYSA-N 420.579 3.241 0 40 HGAB CN(C)c1ncc(-c2cccc(F)c2)c([C@@H]2CCCN(C(=O)c3ccc(N)nc3)C2)n1 19694263 MXXKICQDENLQKF-QGZVFWFLSA-N 420.492 3.346 0 40 HGAB COCCC(=O)N1CCCC[C@@H]1c1nc(C)c2c(n1)N(Cc1ccccn1)CCC2 19706236 MFLHCRHXAQHDEF-HXUWFJFHSA-N 409.534 3.223 0 40 HGAB CCc1nc2ccccc2n1C[C@@H](C)C(=O)N1CCCN(Cc2ccccn2)CC1 19714024 PTJZMRDDHJJZPZ-LJQANCHMSA-N 405.546 3.364 0 40 HGAB CCn1nccc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(OC)c2)CC1 19746990 WQXYDPCKXIXYCK-NRFANRHFSA-N 424.545 3.459 0 40 HGAB COc1ccc(CC(=O)C[C@@H]2c3c(cc4c(c3OC)OCO4)CCN2C)cc1OC 20111746 RHSXACKJDFTASK-QGZVFWFLSA-N 413.470 3.172 0 40 HGAB biogenic O=C(N[C@]1(C(F)(F)F)N=C(c2ccccc2)N(Cc2ccco2)C1=O)c1ccco1 20590903 DLADGSINDYNDAF-LJQANCHMSA-N 417.343 3.350 0 40 HGAB CCOC(=O)[C@@H]1C(=O)N=C(N2CCc3ccccc3C2)N[C@H]1c1ccc(CC)cc1 20636818 DZNASELIPNGVDN-SFTDATJTSA-N 405.498 3.014 0 40 HGAB Cc1ccc(Cl)cc1NC(=O)[C@H]1CC(=O)Nc2nc(N3CCCCC3)nc(N)c21 20799972 NAVKYELQWHUXPD-ZDUSSCGKSA-N 414.897 3.075 0 40 HGAB Cc1cn2c(=O)cc(COC(=O)c3cccc(NC(=O)c4ccco4)c3)nc2s1 21016943 WSSMJHOZFYGXHF-UHFFFAOYSA-N 409.423 3.267 0 40 HGAB CC(C)NC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1 22274329 NHKGMLPMOFPUFQ-UHFFFAOYSA-N 411.321 3.169 0 40 HGAB CCOc1ccc(CCCNC(=O)CN(c2c(C)cccc2C)S(C)(=O)=O)cc1 22338639 CJUUFLAHCPKGIF-UHFFFAOYSA-N 418.559 3.217 0 40 HGAB COc1ccc(-c2c(C)nn3c2nnc2c(=O)n(-c4ccccc4OC)ccc23)cc1 22610768 OVTUFVPOZJKPFQ-UHFFFAOYSA-N 413.437 3.421 0 40 HGAB O=c1cc(CN2CCN(C/C=C/c3ccccc3)CC2)nc2sc3c(n12)CCCC3 22789336 BDHMQMAATYHDKO-RMKNXTFCSA-N 420.582 3.466 0 40 HGAB Cc1ccc(C)c([C@H](O)CN2CCN([C@@H](c3ccccc3)c3nccn3C)CC2)c1 22887307 DRCDWKYEJLYIHM-RPWUZVMVSA-N 404.558 3.478 0 40 HGAB COc1cc(CCC2CCN(S(=O)(=O)N3CCC[C@@H](C)C3)CC2)cc(OC)c1 27968060 UPIHMIVNQSUYHP-QGZVFWFLSA-N 410.580 3.325 0 40 HGAB COc1ccc(OC)c([C@H](C)NC(=O)CN(C)[C@@H](C)c2ccc(-n3cncn3)cc2)c1 28724961 GBTODMZNICNMTQ-IRXDYDNUSA-N 423.517 3.155 0 40 HGAB COc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3nc4ccc(C)cc4s3)C2=O)cc1 28818136 IMZUPRHCVSUURC-OAQYLSRUSA-N 424.482 3.019 0 40 HGAB CN1CCN(S(=O)(=O)c2ccc(NC(=O)c3cccc4ccccc34)cc2)CC1 32744700 GYDHIHPUDJBCIQ-UHFFFAOYSA-N 409.511 3.028 0 40 HGAB CC(C)(C)OC(=O)N1CCC(C(=O)NC2CCN(Cc3ccccc3)CC2)CC1 32747793 WATUGZFXZFHNMM-UHFFFAOYSA-N 401.551 3.414 0 40 HGAB COc1ccc([C@H](CNC(=O)COC(=O)c2ccoc2C)N2CCCCC2)cc1 32865234 XTZWZZOQWXKFHX-FQEVSTJZSA-N 400.475 3.097 0 40 HGAB COC(=O)c1sc(NC(=O)CN(C2CCCCC2)C2CC2)c(C(=O)OC)c1C 32913416 VXHBOILHURBBFW-UHFFFAOYSA-N 408.520 3.365 0 40 HGAB Cc1ccc(OCC(=O)N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)cc1 33187601 SHNYRNFNXWXOEC-UHFFFAOYSA-N 406.404 3.377 0 40 HGAB CCOC(=O)c1cccc(NC(=O)CSc2nc3ccccc3n3cnnc23)c1 35426647 NQODMYVQGBCILT-UHFFFAOYSA-N 407.455 3.185 0 40 HGAB NC(=O)c1c(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2C(=O)O)sc2c1CCc1ccccc1-2 35897864 SEYHZYZQXTWQKY-GFOFROLCSA-N 422.506 3.464 0 40 HGAB C[C@@H](NC(=O)[C@@H]1CN(S(C)(=O)=O)c2ccccc2O1)c1ccc(C(C)(C)C)cc1 38772918 SVFROSNKODDRPG-QRWLVFNGSA-N 416.543 3.389 0 40 HGAB COC(=O)c1ccccc1NC(=O)N1CCC(NC(=O)Nc2ccc(F)cc2)CC1 40149924 KYMDNNPLABNRKV-UHFFFAOYSA-N 414.437 3.430 0 40 HGAB O[C@H](CNC[C@@H](c1cccs1)N1CCOCC1)CO[C@H]1CCCc2ccccc21 40160721 OLYKVYHNIWOIIW-HJNYFJLDSA-N 416.587 3.166 0 40 HGAB CCCSc1nn(CCCN(C)C)c2nc3sc4c(c3c(=O)n12)CCCC4 40284141 XKINUNDJXDVNPF-UHFFFAOYSA-N 405.593 3.438 0 40 HGAB COc1ccc(Cl)cc1NC(=O)CN1CCN(C(=O)Oc2ccccc2)CC1 48265424 VUCSLOUCOWQMEE-UHFFFAOYSA-N 403.866 3.104 0 40 HGAB Cc1ccc(C)c(-n2ccnc2S(=O)(=O)[C@H](C)C(=O)N(C)C2CCCCC2)c1 48299804 XQDIXKXYXFTMJY-QGZVFWFLSA-N 403.548 3.442 0 40 HGAB CCCCN(C)C(=O)Cn1c(=O)n(-c2cccc(Cl)c2)c(=O)c2sccc21 57491429 PHVMQNOOUKWFQR-UHFFFAOYSA-N 405.907 3.126 0 40 HGAB CCOc1ccc(CN2CCC(O)(c3cnc(OCC)nc3OCC)CC2)cc1 57743814 VMDREJQVCOPLIQ-UHFFFAOYSA-N 401.507 3.156 0 40 HGAB O=C1CCCN1c1ccc(Cn2c(=O)n(-c3ccccc3)c(=O)c3sccc32)cc1 67258000 TWGMOHCHJZXFCQ-UHFFFAOYSA-N 417.490 3.389 0 40 HGAB CC[C@H](NC(=O)c1cc(S(N)(=O)=O)ccc1Br)c1ccc(C)cc1 68957538 YZZBNYZFTSDSLV-INIZCTEOSA-N 411.321 3.286 0 40 HGAB Cc1c(Cl)cccc1NC(=O)C(=O)NC[C@@H](O)c1ccc(C(F)(F)F)cc1 70640232 RMXRRRRCMPZBLT-OAHLLOKOSA-N 400.784 3.456 0 40 HGAB CCOc1cc(CNC(=O)c2cn[nH]c2-c2ccc(OC)c(OC)c2)ccc1OC 72329302 PANSDULRRIYVSZ-UHFFFAOYSA-N 411.458 3.431 0 40 HGAB O=C(CNC(=O)N1CCN(c2ccccc2)CC1)Nc1ccccc1OC(F)(F)F 72401841 DWLLUEWDUAMBFT-UHFFFAOYSA-N 422.407 3.056 0 40 HGAB CC(C)C[C@H](C(=O)NCCNc1ccc(C(F)(F)F)cn1)N1CCCCC1=O 79069417 DAITXMWSPGQFFO-OAHLLOKOSA-N 400.445 3.056 0 40 HGAB CCN(CC)c1ccc([C@H]2c3sc(=O)[nH]c3SC[C@@]2(CC(=O)O)C(=O)O)cc1 95563304 HHXVEHSGEPQFRP-IFXJQAMLSA-N 422.528 3.066 0 40 HGAB CCOc1ccc(N2C(=O)C[C@@H](NNc3c(F)c(F)c(F)c(F)c3F)C2=O)cc1 100976570 KIMSTBZFQYLKEN-SNVBAGLBSA-N 415.318 3.029 0 40 HGAB O=C(COC(=O)C1CCC(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)CC1)c1ccccc1 101222289 PQWUGLKIHZZQEC-VJWIHLBLSA-N 409.482 3.002 0 40 HGAB O=C(CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)Nc1cccc(COc2cccc(F)c2)c1 102798659 OMQKPMQEHWGOSG-BGYRXZFFSA-N 408.429 3.294 0 40 HGAB Cc1cccn2c(NC(=O)CN3C(=O)[C@H]4CC=CC[C@@H]4C3=O)c(-c3ccccc3)nc12 103590862 UXJRZBCMKQKZJM-ROUUACIJSA-N 414.465 3.199 0 40 HGAB Cc1ccc(S(=O)(=O)[C@H]2[C@H](c3ccccc3)[C@@]2(CN)NC(=O)OC(C)(C)C)cc1 218048626 FDKSSCHDQAEKOZ-CNNODRBYSA-N 416.543 3.157 0 40 HGAB CC[C@@H](C(=O)N[C@H](C)c1ccc(F)cc1)N(c1ccc(OC)cc1)S(C)(=O)=O 220657667 XDOGDQMTWNUSIL-KUHUBIRLSA-N 408.495 3.256 0 40 HGAB CC(C)Oc1cccc(CNC(=O)c2ccc(N3CCCCS3(=O)=O)cc2)c1 222584519 XVDCTMDVMSNEJK-UHFFFAOYSA-N 402.516 3.334 0 40 HGAB COc1ccc(CC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NCC(C)C)cc1OC 222728415 XCBYAEHKCPOOLV-SFHVURJKSA-N 412.530 3.436 0 40 HGAB COc1ccc(NS(=O)(=O)c2nnc(NC(=O)c3ccccc3Cl)s2)cc1 223325196 VHDSZHLOVZZIAV-UHFFFAOYSA-N 424.891 3.253 0 40 HGAB CS(=O)(=O)N(CC(=O)Nc1ccc(Cc2ccncc2)cc1)c1ccc(F)cc1 223669472 ZMDUNSMBVVMVTE-UHFFFAOYSA-N 413.474 3.216 0 40 HGAB CCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)COc1ccc(F)cc1 224552675 RCGLUTFPJARBJI-HXUWFJFHSA-N 402.466 3.157 0 40 HGAB CCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)COc1ccccc1OC 224977948 LCJVRUGTJQJPHZ-QGZVFWFLSA-N 414.502 3.026 0 40 HGAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)COc1ccccc1 225496269 OUOKOBWAEYMGEB-HSZRJFAPSA-N 402.494 3.452 0 40 HGAB O=C(NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1cccc(Cn2cccn2)c1 257217940 DBFCYSHHMLTKGS-UHFFFAOYSA-N 409.389 3.069 0 40 HGAB O=C(N1CCOC[C@H](Cc2ccc3nccn3n2)C1)C1(c2ccccc2F)CCCC1 257244927 INJIXEWGNUQTHP-GOSISDBHSA-N 422.504 3.398 0 40 HGAB COc1ccc(-c2csc(NC(=O)CN3CC[C@@]4(CCCO4)[C@H](OC)C3)n2)cc1 257289000 PWOSLNNRMBGAGK-NQIIRXRSSA-N 417.531 3.027 0 40 HGAB Cc1ccc(S(=O)(=O)N(C)[C@H](Cc2cccc(C(F)(F)F)c2)C(=O)O)cc1 260677422 DLAZKDMJHPEBHE-MRXNPFEDSA-N 401.406 3.330 0 40 HGAB Cc1nc(C(=O)N2C[C@H]3c4cc(-c5ccco5)ccc4S(=O)(=O)[C@H]3C2)cs1 306124352 BNHOHLLQZKIHFC-KSSFIOAISA-N 400.481 3.107 0 40 HGAB COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CCCC3)cc2)cc1Cl 408561491 TVNYKFHCVIXIRT-UHFFFAOYSA-N 424.906 3.151 0 40 HGAB COC(=O)c1ccc(Cl)c(NC(=O)CSc2n[nH]c(-c3ccccn3)n2)c1 408583968 YYOXHOZILSSQPP-UHFFFAOYSA-N 403.851 3.038 0 40 HGAB COc1cccc2cc(C(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)oc12 408700693 KJOWRJFXPSGBER-UHFFFAOYSA-N 400.456 3.478 0 40 HGAB COc1ccccc1CNC(=O)c1ccccc1NC(=O)C(=O)N[C@@H]1CCCC[C@H]1C 408710195 RQXDWEALRZYJNJ-VQIMIIECSA-N 423.513 3.259 0 40 HGAB Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3cccn3-c3ccc(F)cc3)C2=O)cc1 409017160 LBAFQPLSMDQZOC-DEDYPNTBSA-N 418.428 3.456 0 40 HGAB O=C(NC[C@H](c1ccsc1)n1cccn1)C(=O)Nc1ccc(OC(F)(F)F)cc1 575614147 OUEWQSIYNDQJGG-OAHLLOKOSA-N 424.404 3.188 0 40 HGAB Cc1ccn(-c2ccc(N3CCN(Cc4ccc(OC(F)(F)F)cc4)CC3)nn2)n1 737399094 ZWGLEDUKZCQOCW-UHFFFAOYSA-N 418.423 3.192 0 40 HGAB COc1cc([C]2OC[C@@H]3[C@@H](c4cc(OC)c(O)c(OC)c4)OC[C@H]23)cc(OC)c1O 1560404594 OGXCXMSYPMWOBH-DGCWBMGLSA-N 417.434 3.046 0 40 HGAB COc1cccc2c1OC1(CCN(C3CCN(C(C)=O)CC3)CC1)[C@H]1CCCO[C@H]21 1615525307 AIZZUWURNBHFQP-RBBKRZOGSA-N 414.546 3.401 0 40 HGAB C[C@H]1CN(C(=O)Nc2cccc(S(=O)(=O)N3CCCCCC3)c2)C[C@@H](C2CC2)O1 1665571102 ZULXBDMYBQEWKD-JXFKEZNVSA-N 421.563 3.283 0 40 HGAB O=C([C@H]1COc2ccccc2C1)N1CCC(COc2cc3c(nn2)CCCC3)CC1 1775967842 DAIIDBPSXSDVTR-HXUWFJFHSA-N 407.514 3.224 0 40 HGAB C[C@@H]1CN(c2ccc(Oc3ccccc3)cc2)c2nc3c(c(=O)[nH]c(=O)n3C)n2C1 1278638 DWFNZQQUTVLQOC-CQSZACIVSA-N 403.442 3.003 0 40 HGAB O=C(N[C@@H]1CCCc2ccccc21)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 2467697 BTKLXNNNUGQDSP-FUHWJXTLSA-N 404.557 3.343 0 40 HGAB O=C(CN1C(=O)N[C@H](Cc2ccccc2)C1=O)NC(c1ccccc1)c1ccccc1 3346272 AGSMRNMFKCJGBU-OAQYLSRUSA-N 413.477 3.055 0 40 HGAB CCOC(=O)N1CCN(c2ncc3c(n2)C[C@H](c2ccc(Cl)cc2)CC3=O)CC1 4988741 BLYUVPMQGJSDBV-HNNXBMFYSA-N 414.893 3.321 0 40 HGAB CCc1ccc(CN(C(=O)COc2ccccc2C)[C@H]2CCS(=O)(=O)C2)cc1 5046748 FZCVUUIAXSITAY-FQEVSTJZSA-N 401.528 3.152 0 40 HGAB CCOC(=O)c1oc2ccc(Br)cc2c1COC(=O)C1=COCCO1 5186979 LWOKTOZELGTLPY-UHFFFAOYSA-N 411.204 3.303 0 40 HGAB CC(C)C[C@H](NC(=O)COc1ccc2c(-c3ccccc3)cc(=O)oc2c1)C(=O)O 5235512 NXIQQCXHXSVYNY-IBGZPJMESA-N 409.438 3.454 0 40 HGAB biogenic COc1ccc(-c2nnc(S[C@@H](C)C(=O)NCCC3=CCCCC3)n2N)cc1 6100618 ZHSCRDSFBAZZNS-AWEZNQCLSA-N 401.536 3.155 0 40 HGAB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccc(OCC(=O)O)c(OC)c3)S2)cc1 6394851 IXRLELRKWMFXRU-PETIARSGSA-N 414.483 3.321 0 40 HGAB COCCn1c(SCC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)nc2ccccc2c1=O 6468253 SIWBUQZSRQIEBR-BFYDXBDKSA-N 403.548 3.076 0 40 HGAB O=C(CCCN1C(=O)c2ccccc2C1=O)NCc1ccccc1CN1CCCCC1 7850151 AYVXLMUIMNCBIP-UHFFFAOYSA-N 419.525 3.365 0 40 HGAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)OC(=O)CCC1CCCCC1 7982533 OWPSGWHIWSCRAU-MRXNPFEDSA-N 424.563 3.476 0 40 HGAB CCCCc1nnc(SCc2cc(=O)c3cc(C(=O)OCC)ccc3[nH]2)n1C 8617300 HQXWCGULVUZMQV-UHFFFAOYSA-N 400.504 3.468 0 40 HGAB O=C1C[C@@H](CNS(=O)(=O)c2cccc(C(F)(F)F)c2)CN1c1ccc(F)cc1 9036482 NRVMNFIXNXNMMD-LBPRGKRZSA-N 416.396 3.176 0 40 HGAB O=C(COC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1)Nc1ccc(F)cc1 9055721 MSCIYIKCHVJRJN-UHFFFAOYSA-N 418.380 3.422 0 40 HGAB C[C@H](NC(=O)C(=O)NC[C@H](c1cccnc1)N1CCc2ccccc21)c1ccccc1 9708092 UXHFHQHVAQQBRI-FDDCHVKYSA-N 414.509 3.179 0 40 HGAB O=C(NC(=S)Nc1ccc(I)cn1)c1cccc(Cl)c1 9906648 PHCMQOUTZWZVPO-UHFFFAOYSA-N 417.659 3.466 0 40 HGAB CNC(=O)NC(=O)CSc1nnc(-c2cc3c(s2)CC[C@@H](C(C)(C)C)C3)n1C 9944384 JFSDWKKOQLVNPW-GFCCVEGCSA-N 421.592 3.242 0 40 HGAB C[C@H](OC(=O)Cc1n[nH]c(=O)c2ccccc12)C(=O)Nc1cccc(Cl)c1Cl 10912586 HCLZEEIUVSLXHQ-JTQLQIEISA-N 420.252 3.343 0 40 HGAB O=C(Cc1csc(COc2ccc(F)cc2)n1)Nc1ccc(-n2cnnn2)cc1 11339119 NVVNHPSJZNBOKF-UHFFFAOYSA-N 410.434 3.018 0 40 HGAB COc1ccc(C(=O)N2CCN(c3ccc(-c4ccccc4)nn3)CC2)cc1OC 11695220 NTTQMGAIADZWID-UHFFFAOYSA-N 404.470 3.123 0 40 HGAB CCOC(=O)C1CCN(Cc2nc(-c3cccc(-c4ccnc(C)n4)c3)no2)CC1 12275281 NTKYUNVSNGVBKT-UHFFFAOYSA-N 407.474 3.277 0 40 HGAB Cc1ccc(NC(=O)Cc2csc(NC(=O)c3ccc[nH]c3=O)n2)cc1Cl 12422951 QPYITTFDRYMVFZ-UHFFFAOYSA-N 402.863 3.227 0 40 HGAB Cn1c(=O)c2ccccc2n2c(COC(=O)C3(c4ccccc4)CCCC3)nnc12 12636643 YMDNTHGFJDPIPM-UHFFFAOYSA-N 402.454 3.136 0 40 HGAB CC(C)n1ncc2cc(C(=O)NCC(=O)Nc3ccccc3Br)cnc21 12746980 ZJCJYPWRUQTKDN-UHFFFAOYSA-N 416.279 3.143 0 40 HGAB CC(=O)c1ccc(NC(=O)CCN2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 12823524 BIZBADPOHWSOAF-UHFFFAOYSA-N 420.435 3.454 0 40 HGAB COc1ccc(Cn2nnnc2[C@@H](C(C)C)N2CCN(c3ccccc3)CC2)cc1 13504894 BQPXFKOKGOQZJH-JOCHJYFZSA-N 406.534 3.249 0 40 HGAB C[C@H](SC1=N[C@@H](c2c[nH]c3ccccc23)NC(N)=N1)C(=O)N1CCc2ccccc21 13579103 MNGDBVFBOPWMRL-DJJJIMSYSA-N 418.526 3.151 0 40 HGAB O=C(c1ccc(F)cc1)[C@@H]1[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]2[C@@H]2CCCN21 13591786 BEYFEKWVVRAIPI-OKYOBFRVSA-N 412.848 3.314 0 40 HGAB Cc1c(Cl)cccc1NC(=S)N1CCN(S(=O)(=O)c2cccs2)CC1 13683149 QHAHZGZRURXRQU-UHFFFAOYSA-N 415.993 3.413 0 40 HGAB CCN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 15083464 SURFBFCNRKQHIK-UHFFFAOYSA-N 400.544 3.444 0 40 HGAB COC(=O)c1cccc(OC[C@@H](O)CSc2nnc(C)n2-c2ccc(C)cc2)c1 15233862 HNKYQMVSEJAEJS-GOSISDBHSA-N 413.499 3.203 0 40 HGAB O=C(CCNC1=NS(=O)(=O)c2ccccc21)Nc1ccc(SC(F)F)cc1 15267698 RFQFEDLPPQCEMQ-UHFFFAOYSA-N 411.455 3.069 0 40 HGAB COc1ccc([C@@H]2CCCN2C(=O)CCN2C(=O)COc3ccccc32)c(OC)c1 15830616 QBMNFPNEBMSEJU-SFHVURJKSA-N 410.470 3.183 0 40 HGAB O=S(=O)(c1ccc(OCCSc2ccc(F)cc2F)cc1)N1CCOCC1 16127287 SEEYAAZJZBHHGF-UHFFFAOYSA-N 415.483 3.157 0 40 HGAB CC(C)(C)c1ccc(NC(=O)c2c3c(nn2[C@@H]2CCS(=O)(=O)C2)CCC3)cc1 16850876 TYLORSVXNFUCIM-MRXNPFEDSA-N 401.532 3.281 0 40 HGAB COc1cc(C)ccc1OC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1 18114491 IOJGKLAKJOPKOS-IYBDPMFKSA-N 419.499 3.021 0 40 HGAB NC(=O)[C@]1(Cc2cccc(-c3ccncc3)c2)CN(C(=O)CC2CCCCC2)CCO1 19331766 ZUPHMBASFDLKMZ-VWLOTQADSA-N 421.541 3.344 0 40 HGAB C[C@@H](C(=O)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CN(C2CCCC2)CC3)C1)c1ccccc1 19459043 YYJCLXCWYJGYRM-IEBWSBKVSA-N 420.557 3.190 0 40 HGAB CC[C@@H]1C[C@H](C(F)(F)F)n2nc(C3CCN(C(=O)c4cnn(C)c4)CC3)cc2N1 19520830 CGBYZUJFTUSBGM-GDBMZVCRSA-N 410.444 3.334 0 40 HGAB COc1ccc(CC(=O)N2CCC(c3cc(C(F)F)n4ncnc4n3)CC2)cc1C 19571056 ZBAPTOPWDQVTBO-UHFFFAOYSA-N 415.444 3.328 0 40 HGAB COc1ccc(N2C[C@@H](NC(=O)c3ccc4[nH]c(C(F)(F)F)nc4c3)CC2=O)cc1 19662320 QLVLKTMXBIXLFM-LBPRGKRZSA-N 418.375 3.126 0 40 HGAB Cc1ccc2c(c1)cc(C(=O)N1CCC([C@@H]3CCCCN3CC(=O)N(C)C)CC1)n2C 19746370 NBUZXVZQBOOZRM-QFIPXVFZSA-N 424.589 3.282 0 40 HGAB Cc1nc([C@H]2CCCN2C(=O)c2snnc2C)ncc1C(=O)Nc1ccccc1 19755574 CHMYHLXVPBKETP-MRXNPFEDSA-N 408.487 3.175 0 40 HGAB CC[C@H](NC(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O)c1ccc(OC)cc1 20483082 NLAWZSJVBNPCNG-FQEVSTJZSA-N 404.532 3.346 0 40 HGAB O=C(Cn1ccc2ccc(Br)cc21)N[C@@H](Cc1ccccc1)C(=O)O 20745406 BKAYPHURBFNCJK-INIZCTEOSA-N 401.260 3.216 0 40 HGAB Cc1ccc(-n2nc(C)c(NC(=O)Cn3nc(-c4ccc(F)cc4)oc3=O)c2C)cc1 21532005 MWORKOUDYMQCSE-UHFFFAOYSA-N 421.432 3.392 0 40 HGAB C[C@H]1CN(CC(=O)N(Cc2cccs2)c2ccc3c(c2)OCCO3)C[C@H](C)O1 21642063 UJIBORIKVRHWDU-HOTGVXAUSA-N 402.516 3.162 0 40 HGAB Cc1ccc(N2C(=O)C[C@@H](C(=O)NCc3nnc4n3CCC4)[C@@H]2c2cccs2)cc1 22192376 XZDUADNMSFYQKE-IIBYNOLFSA-N 421.526 3.005 0 40 HGAB COc1ccc(C)cc1N(CC(=O)N[C@@H](C)c1cc(C)ccc1C)S(C)(=O)=O 22336190 IGWMHQOAHPGANK-KRWDZBQOSA-N 404.532 3.264 0 40 HGAB COc1cc(C(=O)NCc2ccccc2CN2CCOCC2)cc(Cl)c1OC 24259453 BZOBHLXTKJVFAH-UHFFFAOYSA-N 404.894 3.119 0 40 HGAB COC(=O)c1ccc(OCC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 26863617 GYXPAYRCNSJGCK-UHFFFAOYSA-N 422.403 3.220 0 40 HGAB NC(=O)CCn1c(-c2ccco2)nn(CN2CCC[C@@H]2Cc2ccccc2)c1=S 29503043 ZLFQZEYNOWNBMO-QGZVFWFLSA-N 411.531 3.214 0 40 HGAB Cc1cccc(-c2n[nH]c(=S)n2CCC(=O)NC[C@H]2COc3ccccc3O2)c1 31040680 NXDYXSBCJIVTOH-INIZCTEOSA-N 410.499 3.262 0 40 HGAB O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(c2nnnn2-c2ccccc2)CC1 31661899 MXGUCDAURMVAMO-UHFFFAOYSA-N 418.288 3.323 0 40 HGAB C[C@H]1C[C@@H](C)CN([C@H](C(=O)O)c2c[nH]c3cc(NC(=O)CCC(=O)O)ccc23)C1 31818459 JTIIMYXIPJVYIM-RDXCRGQUSA-N 401.463 3.075 0 40 HGAB CC(C)(NC(=O)c1cccc(NS(C)(=O)=O)c1)c1ccc(Br)cc1 32398411 IIIOPOWUEQKKSO-UHFFFAOYSA-N 411.321 3.486 0 40 HGAB CC(C)c1noc(-c2ccc(OCC(=O)NCCN3CCc4ccccc4C3)cc2)n1 32579027 ABYCHSSXBPCKFY-UHFFFAOYSA-N 420.513 3.413 0 40 HGAB O=C([C@H]1CC(=O)N(c2ccccc2Br)C1)N1CCc2sccc2C1 32795913 SVZJOVUXSOHURI-ZDUSSCGKSA-N 405.317 3.448 0 40 HGAB COc1ccc(NC(C)=O)cc1NC(=O)[C@H]1CCCCN1C(=O)c1cccs1 32905836 KQHANTCTLCEXQX-MRXNPFEDSA-N 401.488 3.349 0 40 HGAB CS(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)cc1 32994674 DHMZQVADSDTNTK-OAHLLOKOSA-N 420.918 3.234 0 40 HGAB CCC[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccccc1 32996103 GDTUZJCZRGXURX-FQEVSTJZSA-N 402.516 3.230 0 40 HGAB CCN(CC(=O)NCc1ccc(F)cc1)C(=O)c1ccc2c(c1)NC(=O)CCS2 32999609 LFHIXJBDPBWXEL-UHFFFAOYSA-N 415.490 3.039 0 40 HGAB COc1ccc(CNC(=O)c2nsc(C(=O)NCc3ccc(C)c(C)c3)c2N)cc1 33171907 VNNUEMUIWYEWIP-UHFFFAOYSA-N 424.526 3.211 0 40 HGAB COc1ccc(-n2cnc3c2NC(=O)C[C@@H]3c2cc(OC)c3c(c2OC)OCO3)cc1 36559141 SXPLJRWKMYAQNT-CQSZACIVSA-N 423.425 3.101 0 40 HGAB Cc1c2c(C(F)(F)F)cc(=O)n(CCC(=O)Nc3ccc(F)cc3F)c2nn1C 36621450 JJUUAXVEXIJATM-UHFFFAOYSA-N 414.334 3.369 0 40 HGAB O=C(c1cc(F)ccc1F)C1CCN(C(=O)CCS(=O)(=O)C2CCCC2)CC1 40121707 NCGHIJWOWGVMPM-UHFFFAOYSA-N 413.486 3.134 0 40 HGAB COc1ccc(-c2ccc(=O)n(CC(=O)Nc3nc4ccc(OC)cc4s3)n2)cc1 44921012 SKJFEWOVIWXBQN-UHFFFAOYSA-N 422.466 3.176 0 40 HGAB CS(=O)(=O)N[C@@H]1CCCN(C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)C1 47825442 RMWRUVBXUOERNU-MRXNPFEDSA-N 414.487 3.040 0 40 HGAB O=C(Nc1cccnc1N1CCCC1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 48286861 VSUVEHFHDZBSOC-UHFFFAOYSA-N 420.439 3.450 0 40 HGAB COc1ccc(C2(CNC(=O)c3csc(-c4cnn(C)c4)n3)CCOCC2)cc1 56452669 NMXUUDLCSIRVKQ-UHFFFAOYSA-N 412.515 3.030 0 40 HGAB CCc1cccc(NC(=O)CSc2ncnc3nc(N4CCOCC4)sc23)c1 57506975 MYLWVTYXZNAHJQ-UHFFFAOYSA-N 415.544 3.216 0 40 HGAB CCCCOc1ccc(C(=O)NCC(=O)N[C@@H](C)CN2C[C@@H](C)C[C@@H](C)C2)cc1 58201873 DCXBKGOVZDHQPG-OTWHNJEPSA-N 403.567 3.078 0 40 HGAB CSc1nnnn1-c1cccc(NC(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)c1 58308458 OYKRGCJAFQIRHA-JTQLQIEISA-N 412.500 3.069 0 40 HGAB O=S(=O)(c1ccc(Br)cc1Cl)N1CCCC[C@@H]1C1OCCO1 60348815 MBYWQZHWQBNOSQ-GFCCVEGCSA-N 410.717 3.019 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(CCC(=O)NCc2cc3ccccc3[nH]2)cc1 62580363 UNELGOKYYZXERS-UHFFFAOYSA-N 413.543 3.447 0 40 HGAB CN(C)S(=O)(=O)N1CCC[C@H](c2cncc(-c3cccc(C(F)(F)F)c3)n2)C1 72359555 DGQZHPSRTUUXKE-AWEZNQCLSA-N 414.453 3.148 0 40 HGAB NC(=O)c1ccc(-c2cnc(N)nc2[C@@H]2CCCCN2C(=O)Cc2ccccc2)cc1 72376898 JHIWLEWVAQDIIJ-FQEVSTJZSA-N 415.497 3.121 0 40 HGAB Cn1nc(-c2ccc(F)cc2)cc1C(=O)NC[C@@H](c1ccsc1)N1CCOCC1 77200729 BXOONYDQPZKPTH-FQEVSTJZSA-N 414.506 3.091 0 40 HGAB CCOc1ccc(C(F)(F)F)cc1NC(=O)N1CCN(C[C@@H](C)O)[C@@H](CC)C1 89949208 KXPVXTLLUPVLAV-HIFRSBDPSA-N 403.445 3.413 0 40 HGAB COC(=O)C1CCN(CCCNC(=O)Nc2ncc(-c3ccccc3)s2)CC1 95955712 QSZNAJKEFNVDTR-UHFFFAOYSA-N 402.520 3.207 0 40 HGAB O=C(C[C@H]1CC2(CCN(C(=O)c3ccnnc3)CC2)c2ccccc21)NCC1CC1 96052688 SQJXDPAWFZENDI-IBGZPJMESA-N 404.514 3.054 0 40 HGAB COc1cccc(C2=NO[C@@H]3C(=O)N(c4ccc5ccccc5c4)C(=O)[C@H]23)c1OC 101299038 ZHPZIJMAENJLMF-NQIIRXRSSA-N 402.406 3.150 0 40 HGAB CC(C)CC(=O)N[C@H](N1C[C@H]2C[C@H](C1)c1cccc(=O)n1C2)C(Cl)(Cl)Cl 102472458 MFGUWGFMUWXDMB-PBFPGSCMSA-N 420.768 3.126 0 40 HGAB O=C(CN1C(=O)[C@H]2CCCC[C@H]2C1=O)NCc1ccc(COc2ccccc2)cc1 103190981 WIUCKHYONBPBAI-OYRHEFFESA-N 406.482 3.057 0 40 HGAB CCOC(=O)CSc1nc2ccc(N3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4C3)cc2s1 103776577 VGSWIOPEJKFUGR-BHWMQLMCSA-N 414.508 3.263 0 40 HGAB COC[C@]1(C(N)=S)[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218652860 FEMCYQTXYCHKMX-RYRKJORJSA-N 413.923 3.338 0 40 HGAB C[C@@H](C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21)N(c1ccccc1F)S(C)(=O)=O 220317162 AIVPLJCXBJUHGE-WMLDXEAASA-N 420.506 3.399 0 40 HGAB O=C(Nc1nnc(S(=O)(=O)NC2CCCCC2)s1)c1ccccc1Cl 223336952 ZHRUXQZSLXUVNK-UHFFFAOYSA-N 400.913 3.055 0 40 HGAB COC(=O)c1cc2cc(NS(=O)(=O)c3ccc(F)c(C(=O)O)c3)ccc2s1 223372078 ZEKKEEGWYIPBBD-UHFFFAOYSA-N 409.416 3.326 0 40 HGAB COc1cccc(-c2noc(CN(C)S(=O)(=O)c3ccc(OC)c(Cl)c3)n2)c1 223768453 SEBPSYCLRZCWNS-UHFFFAOYSA-N 423.878 3.228 0 40 HGAB CCOC(=O)CN(c1ccccc1OCC)S(=O)(=O)c1ccc(OC)c(C)c1 224638048 PHHIQBUNZQOHDA-UHFFFAOYSA-N 407.488 3.161 0 40 HGAB CCn1c(=O)sc2cc(S(=O)(=O)NCCSCc3ccccc3)ccc21 225687978 BVAMGCJFCNUSSU-UHFFFAOYSA-N 408.570 3.295 0 40 HGAB COc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cc(C)ccc3C)C2)cc1 225922584 FTIKHBJJAARYGW-KRWDZBQOSA-N 402.516 3.351 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3cccc(C)c3)C2)cc1C 226084531 ZESZAICJZCHEJT-LJQANCHMSA-N 416.543 3.029 0 40 HGAB Cc1onc(C(C)C)c1C(=O)N1CC[C@H](Oc2ccc(F)cc2)[C@@H](CC(N)=O)C1 257275762 NQTWREKBANQYKT-YOEHRIQHSA-N 403.454 3.031 0 40 HGAB Cc1cccc(CN2CCC[C@@]3(CC2)CN(c2ncccn2)CC32CN(C(C)C)C2)n1 306132978 LXZKPPKYGPRXPW-XMMPIXPASA-N 420.605 3.383 0 40 HGAB Cc1ccc(CN2CCC3(CC2)CN(C(C)C)[C@H](C(=O)N(C)C)c2cncn23)cc1C 306141694 WEDYNSPETDNYLO-QHCPKHFHSA-N 423.605 3.345 0 40 HGAB CC(=O)Nc1cccc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc3ccccc3c2)c1 408584203 MYOGEPVHXTXXIB-CQSZACIVSA-N 411.483 3.104 0 40 HGAB Cc1ccc(C(=O)O)cc1NC(=O)c1ccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1 408670177 IHHAIUWFBBXXFH-ROUUACIJSA-N 404.422 3.401 0 40 HGAB O=C1CCCN1c1ncc2c(n1)[C@@]1(CCN(Cc3cccc4ccccc34)C1)COC2 503859960 SUWFXDMRYQBIPM-RUZDIDTESA-N 414.509 3.431 0 40 HGAB Cc1cc(N2CCN(C(=O)NC[C@@H]3CCOc4ccccc43)CC2)nc(C(C)C)n1 517505677 CKEXCZFUWYMREG-SFHVURJKSA-N 409.534 3.306 0 40 HGAB Cc1nc2ccccn2c(=O)c1CCN1CCC[C@@H](c2n[nH]c(-c3ccccc3)n2)C1 566707299 PBDCFXGIVRHJPG-LJQANCHMSA-N 414.513 3.210 0 40 HGAB Cc1cccc(C(=O)N2CCCC2)c1NC(=O)NC[C@H]1c2ccccc2C(=O)N1C 1196936918 FCCUUOOQLQNXQM-IBGZPJMESA-N 406.486 3.179 0 40 HGAB CC[C@H]1NC(=O)N(c2cccc(NC(=O)NCc3cc4ccccc4nc3O)c2)C1=O 1678003814 HAYMDZCNEFTBDN-QGZVFWFLSA-N 419.441 3.097 0 40 HGAB CC(C)(C)c1cn2nc(OCC3CCN(C(=O)[C@H]4CCCCO4)CC3)ccc2n1 1888863589 WPTNOOBRWNHXJS-QGZVFWFLSA-N 400.523 3.213 0 40 HGAB O=C1[C@H]2[C@H](C(=O)N1c1ccccc1F)C1c3ccccc3C2(C(=O)O)c2ccccc21 849905 KFEXLDHFIBTCOI-IYZJKTGWSA-N 413.404 3.461 0 40 HGAB O=C(CSc1nnc(-c2ccc(F)cc2)n1-c1ccccc1)NC[C@H]1CCCO1 2661249 SRJTYBBJJIRFDL-GOSISDBHSA-N 412.490 3.461 0 40 HGAB COc1ccc(CNC(=O)CN2C(=O)N[C@@](C)(c3ccc(C(C)(C)C)cc3)C2=O)cc1 2662869 HKDREAPESLPYEQ-DEOSSOPVSA-N 423.513 3.076 0 40 HGAB CC[C@H](Sc1nc(N)cc(=O)[nH]1)C(=O)Nc1nc(-c2ccccc2)c(C)s1 4911111 PUZFFICWDJOMIG-LBPRGKRZSA-N 401.517 3.293 0 40 HGAB CCn1c(CC(=O)Nc2ccccc2)nnc1SCC(=O)N[C@H](C)c1ccccc1 6356561 YXNAGCIQFWBDBT-MRXNPFEDSA-N 423.542 3.449 0 40 HGAB NC(=O)c1ccccc1NC(=S)NC(=O)c1cccc(OCc2ccccc2)c1 6392842 OEXIBOAQHRFQBR-UHFFFAOYSA-N 405.479 3.491 0 40 HGAB CCCN(C(=O)Cc1n[nH]c(N)n1)C1(C(=O)Nc2c(C)cccc2C)CCCCC1 6506163 PJKCSBWQCIVFQO-UHFFFAOYSA-N 412.538 3.126 0 40 HGAB CCc1nnc2n1N[C@@H](c1ccc(OC)cc1)[C@@H](C(=O)Nc1ccccc1F)S2 6811999 ZZZOONKREHEHRT-ROUUACIJSA-N 413.478 3.386 0 40 HGAB O=C(Cn1cnc2scc(-c3ccccc3)c2c1=O)NCc1ccc2c(c1)OCO2 8719187 QOBWAFRTTPCSDN-UHFFFAOYSA-N 419.462 3.170 0 40 HGAB O=C(CCCNS(=O)(=O)c1cccs1)NCCc1ccc(Cl)cc1Cl 8754824 JWFIBWCINZNXLD-UHFFFAOYSA-N 421.371 3.472 0 40 HGAB CC(C)c1ccc(C(=O)Cn2c(=O)n(Cc3cccnc3)c(=O)c3ncccc32)cc1 9001226 AGEAMAPHKIIBDM-UHFFFAOYSA-N 414.465 3.008 0 40 HGAB CC[C@H](C)c1ccc(NC(=O)CSc2nnc(-c3n[nH]c4c3CCC4)n2N)cc1 9087485 WRKPRKRQTXDWMD-LBPRGKRZSA-N 411.535 3.115 0 40 HGAB C[C@H](Sc1nncn1-c1ccccc1)C(=O)Nc1sc2c(c1C(N)=O)CCC2 9220378 WMURSVBYNOWTHR-NSHDSACASA-N 413.528 3.036 0 40 HGAB O=C(CN1C(=O)S/C(=C\C=C\c2ccccc2)C1=O)Nc1ccc(C(=O)O)c(O)c1 9429391 OQIGLCYPGOXTRD-GUSDSWBTSA-N 424.434 3.322 0 40 HGAB Cc1cc(NC(=O)c2cc(-c3ccc(F)cc3)no2)nn1CC(=O)NCc1ccco1 9432319 SFIFRRRTTIULSB-UHFFFAOYSA-N 423.404 3.147 0 40 HGAB O=C1CCCN1c1ccc(CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1 9512198 OTYDDCFUWQHRPM-HXUWFJFHSA-N 406.482 3.491 0 40 HGAB Cc1ccc(-c2cc(-c3nnc(SCC(=O)Nc4cccc(F)c4)n3N)[nH]n2)cc1 9540850 BYVRDZCYRDBWHN-UHFFFAOYSA-N 423.477 3.227 0 40 HGAB COc1cccc(C(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C2)c1 9590761 CPEBUOGXZPXARO-OAHLLOKOSA-N 401.846 3.436 0 40 HGAB O=C(Nc1ccc(F)c(Cl)c1)[C@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1 9723609 ULZBHCDZPVWLLT-LBPRGKRZSA-N 421.881 3.279 0 40 HGAB O=C(CSc1nc(O)c(-c2ccccc2)c(=O)[nH]1)Nc1nc2ccccc2s1 9907704 VAVIEPROZVEZMS-UHFFFAOYSA-N 410.480 3.483 0 40 HGAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCCN3CCCC3)ccc2C)cc1 10112485 SASDGRBUATZDQQ-UHFFFAOYSA-N 415.559 3.320 0 40 HGAB Cc1ccccc1Nc1nc(N)nc(COC(=O)c2ccc(NC(=O)C3CC3)s2)n1 11031477 MPBPJRSXMVEVAL-UHFFFAOYSA-N 424.486 3.273 0 40 HGAB CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)c2ccccc2OC(F)F)cc1 11366057 HKVMWCCZWLVWJP-UHFFFAOYSA-N 412.458 3.046 0 40 HGAB CC(C)c1cc(C(=O)N2CCC[C@@H](c3nc4ccc(F)cc4cc3C(N)=O)C2)[nH]n1 12088383 WMBTVTOVCXOSPN-CYBMUJFWSA-N 409.465 3.339 0 40 HGAB CCc1nc2ccccc2c(=O)n1CC1(O)CCN(C(=O)[C@@H](C)c2ccccc2)CC1 12187212 SCJRRVSYFMZNNG-SFHVURJKSA-N 419.525 3.116 0 40 HGAB CC(=O)N[C@H](CC(=O)N1CCC[C@@H](c2nn(C)c3ncccc23)C1)c1ccc(F)cc1 12219463 AHLPLRHIJSESJZ-YLJYHZDGSA-N 423.492 3.081 0 40 HGAB O=C(CN1C(=O)COc2ccc(C(=O)c3cccs3)cc21)NCCc1ccccc1 12251579 CLNVZODUANPTDD-UHFFFAOYSA-N 420.490 3.063 0 40 HGAB Cc1ccc(C(=O)O)cc1S(=O)(=O)Nc1ccccc1C(=O)NC1CCCC1 12507868 HEJRNTMRYZPCTR-UHFFFAOYSA-N 402.472 3.166 0 40 HGAB O=C1CCc2cc(S(=O)(=O)Nc3ccc4c(c3)nc3n4CCCCC3)ccc2N1 12552270 FHHQYORBLWQAGL-UHFFFAOYSA-N 410.499 3.448 0 40 HGAB Cc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)cc2)cc1 12561174 JCYGYWUKPIVWKS-UHFFFAOYSA-N 422.466 3.218 0 40 HGAB O=S(=O)(Nc1ccc(N2CCCS2(=O)=O)cc1)c1cc(Cl)ccc1Cl 12585465 LSVFLZZZQVHXGJ-UHFFFAOYSA-N 421.327 3.334 0 40 HGAB O=C(c1ccc(Cl)cc1Cl)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 12617359 KEFUAUZDAKDHNP-UHFFFAOYSA-N 423.325 3.021 0 40 HGAB COc1ccc2c(c1OC)C(=O)O[C@H]2N1C(=O)CC[C@H]1C(=O)Nc1cc(C)cc(C)c1 12662081 NKTAXMKKOXGCRS-KSFYIVLOSA-N 424.453 3.119 0 40 HGAB biogenic O=C(O)c1ccc(CSCC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)cc1 12743535 FCSRKCFDRHHPQF-UHFFFAOYSA-N 412.511 3.495 0 40 HGAB O=C(CCC1CCCC1)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 12766103 GLNWXCSIRYCEJC-UHFFFAOYSA-N 400.928 3.270 0 40 HGAB CC(C)Cc1ccc([C@H](C)NC(=O)c2cc(S(=O)(=O)NC(C)C)cn2C)cc1 12790301 JNZDOUUZGULLRR-INIZCTEOSA-N 405.564 3.401 0 40 HGAB Cc1ccc(CNC(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 12860602 SAAFOVHGFGZCCR-UHFFFAOYSA-N 401.532 3.169 0 40 HGAB C[C@@H](NC(=O)c1ccc(CCNS(C)(=O)=O)cc1)c1ccc2c(c1)CCCC2 12882321 DOZLHJOAFVRUSM-MRXNPFEDSA-N 400.544 3.148 0 40 HGAB COc1ccc(CCNC(=O)C2CCN(C(=O)/C=C/c3ccccc3)CC2)cc1OC 12887385 XJTMDKJGKBDZGR-PKNBQFBNSA-N 422.525 3.315 0 40 HGAB Cc1cccc(NC(=O)CN2CCN(C(=O)c3cc4cc(F)ccc4[nH]3)CC2)c1C 12900873 PAJGXJNUVWEZFL-UHFFFAOYSA-N 408.477 3.320 0 40 HGAB CC(C)NC(=O)CN1CCCN(c2nc(-c3ccsc3)nc3ccccc23)CC1 12929832 KDGOBDQNNODMBN-UHFFFAOYSA-N 409.559 3.395 0 40 HGAB CCOC(=O)[C@@H]1CCCN(CCC(=O)Nc2ccc(Br)cc2F)C1 13009295 WHNUOFULFYUECP-GFCCVEGCSA-N 401.276 3.192 0 40 HGAB CCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)[C@H](C)N1CCC[C@@H](C)C1 13714151 GOKQVHHBOIENNV-KGLIPLIRSA-N 417.506 3.421 0 40 HGAB O=C(COc1ccc2nc3n(c(=O)c2c1)CCC3)Nc1ccc(C(F)(F)F)cc1 13735680 MIWWGRMAOQAFIG-UHFFFAOYSA-N 403.360 3.379 0 40 HGAB Cc1ccc2c(c1)CCCN2CC(=O)N[C@H](C)[C@H](c1ccccc1)N1CCOCC1 14086079 JIHGGXHJWGMNAV-CJFMBICVSA-N 407.558 3.326 0 40 HGAB CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cccc(Cl)c1 15989438 FMTGEFCKMKSILN-UHFFFAOYSA-N 424.906 3.012 0 40 HGAB COc1ccc(NC(=O)C[S@](=O)c2ncc(-c3ccc(Cl)cc3)n2C)cc1 17144357 TUTZDBJWDVARBG-HHHXNRCGSA-N 403.891 3.495 0 40 HGAB CCCOc1ccc(N2C(=O)C[C@@H](N(CCc3ccc(OC)cc3)C(C)=O)C2=O)cc1 18105500 ZPCMPPROKZAVJN-JOCHJYFZSA-N 424.497 3.207 0 40 HGAB Cc1nc2c(C)cccn2c1CN1C[C@@H](c2cccnc2)[C@@]2(CCCCC(=O)N2)C1 19237593 DROGAZVFAAUKBV-GBXCKJPGSA-N 403.530 3.375 0 40 HGAB COc1ccc(-c2n[nH]cc2CN[C@@H]2CCC(=O)N[C@H]2c2cc(OC)ccc2F)cc1 19557864 PJQFWUFPIVNMGC-OFNKIYASSA-N 424.476 3.343 0 40 HGAB CNC(=O)[C@@]1(Cc2ccc(-c3cccnc3)cc2)CN(Cc2cccc(F)c2)CCO1 19591904 MAMPYZYMLKABQL-RUZDIDTESA-N 419.500 3.447 0 40 HGAB CN(C)S(=O)(=O)c1ccc(CCC(=O)N[C@H]2CC(C)(C)Oc3ccccc32)cc1 19718624 HQLAUKRJNFLXNP-IBGZPJMESA-N 416.543 3.288 0 40 HGAB COC(=O)[C@@H](NC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)C(C)C 20567719 ODDKGUJGESCGJL-NRFANRHFSA-N 409.530 3.301 0 40 HGAB C[C@@H]1C[C@@H](C)CN(Cc2csc(NC(=O)c3ccc4c(c3)OCC(=O)N4)n2)C1 22296694 BGSVFLARCJCLSQ-CHWSQXEVSA-N 400.504 3.204 0 40 HGAB CCCOc1ccc(N(CC(=O)Nc2ccc(OCC)cc2)S(C)(=O)=O)cc1 22381340 CXUNVKMMNWHCBG-UHFFFAOYSA-N 406.504 3.279 0 40 HGAB CCCOc1ccc(N(CC(=O)N[C@H](C)CCc2ccccc2)S(C)(=O)=O)cc1 22400042 PYZRSLAKIFBQNL-GOSISDBHSA-N 418.559 3.379 0 40 HGAB NC(=O)CCn1c(SCc2cc(Cl)c3c(c2)OCCCO3)nnc1C1CC1 22407422 FNEPYEXJYUNNRH-UHFFFAOYSA-N 408.911 3.138 0 40 HGAB CCc1nc2sc([C@@H](c3ccccc3Cl)N3CCN(CC)CC3)c(O)n2n1 22577998 HHLCRLOFFCOWAD-MRXNPFEDSA-N 405.955 3.439 0 40 HGAB CC(C)(C)NC(=O)Cn1nc(-c2ccccc2)c2sc(N3CCCC3)nc2c1=O 23108770 HQFQKAOPFXCLKY-UHFFFAOYSA-N 411.531 3.035 0 40 HGAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc(F)c3)CC2)cc1 23652145 KZSDXFBTUVLRKF-UHFFFAOYSA-N 406.479 3.264 0 40 HGAB COc1cc(/C=C2/C(=O)N=C(N)N2C)ccc1OCc1ccc(Br)cc1 24543889 AXQJNDGKZVFHPR-DHDCSXOGSA-N 416.275 3.164 0 40 HGAB C[C@H]1c2cccn2CCN1C(=O)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1 30799492 DJVLCECZUMXEAQ-KBPBESRZSA-N 402.292 3.207 0 40 HGAB C[C@@H]1CCc2c(sc3nc(CCN4CCN(c5ccccc5O)CC4)nc(N)c23)C1 32850907 SLGCWWDFWBLUPO-OAHLLOKOSA-N 423.586 3.469 0 40 HGAB COc1cc2nc(CSc3nnc(C)n3Cc3ccccc3)[nH]c(=O)c2cc1OC 32950188 ZNFQKKHLEZQSFR-UHFFFAOYSA-N 423.498 3.181 0 40 HGAB Cc1cc(S(=O)(=O)NC2CCCCC2)ccc1OCC(=O)NC1CCCCC1 33584050 LDWIHOMMMQIAND-UHFFFAOYSA-N 408.564 3.434 0 40 HGAB CCCOc1ccc(C(=O)NC(=S)Nc2ccccc2N2CCN(C)CC2)cc1 33616569 GTUMFQHDTUERHE-UHFFFAOYSA-N 412.559 3.354 0 40 HGAB NC(=O)NC(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C\c1cccs1)CC2 34868832 XRBRIPKEQIUDQI-BENRWUELSA-N 407.451 3.135 0 40 HGAB CC(C)Cn1c(=O)c2sccc2n2c(CCC(=O)NCCc3ccccc3)nnc12 35528515 YHHHLYLEWFOBOT-UHFFFAOYSA-N 423.542 3.053 0 40 HGAB CC(C)C[C@@H](CNc1nc(CN2CCOCC2)nc2sc3c(c12)CCC3)N(C)C 36725199 XPGJXXIJGQYWQT-INIZCTEOSA-N 417.623 3.400 0 40 HGAB C[C@H](NC(=O)[C@@H]1CCN(S(C)(=O)=O)c2cc(Cl)ccc2O1)c1ccccc1 38832891 AVNLIDXDPUSIBI-UGSOOPFHSA-N 408.907 3.135 0 40 HGAB CCN(CC)C(=O)CN1CCCN(C(=O)CCc2cccc(Cl)c2Cl)CC1 40120308 NBBGGVLCVRKVNF-UHFFFAOYSA-N 414.377 3.329 0 40 HGAB CC[C@@H](NC(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(C)ccc2O1)c1ccc(C)cc1 44935935 YITLKFNCANECAG-XLIONFOSSA-N 402.516 3.098 0 40 HGAB O=C(Nc1cnccn1)C1CCN(C(=O)Nc2ccc(-c3nccs3)cc2)CC1 48237644 JBJZBBWAIBQNNF-UHFFFAOYSA-N 408.487 3.483 0 40 HGAB C[C@@H](C(=O)Nc1cccc(NC(=O)c2csc(-c3cnn(C)c3)n2)c1)n1cccn1 48248082 PMVDFCUGCFDYKW-ZDUSSCGKSA-N 421.486 3.192 0 40 HGAB COCCNC(=O)[C@@H]1Cc2cn(Cc3cc(C)on3)c3cccc(c23)[C@H](CC(C)C)N1 49171916 YBBGOAAXYAPTBI-SFTDATJTSA-N 424.545 3.350 0 40 HGAB biogenic,in-vitro C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)N1CCN(c2ncccn2)CC1 57634918 SNSBGRFDQFHRKJ-GFCCVEGCSA-N 413.831 3.298 0 40 HGAB Cc1cc2nc(SCC(=O)Nc3ccc4c(c3)OCO4)n(C(C)C)c(=O)c2[nH]1 67236068 RVIMCHHLHUHURR-UHFFFAOYSA-N 400.460 3.073 0 40 HGAB O=c1ccc(S(=O)(=O)N2CCCCCC2)cn1Cc1cccc(C(F)(F)F)c1 67350312 QUYIAMZNBQVVKI-UHFFFAOYSA-N 414.449 3.480 0 40 HGAB COc1cc(NC(=O)Cn2nnc(C(=O)Nc3cc(C)ccc3C)c2C)cc(OC)c1 71327266 NYLZJMMLXKODHO-UHFFFAOYSA-N 423.473 3.112 0 40 HGAB Cc1nc2cc([C@H]3CCN(C(=O)C4CC4)C3)nn2c(C)c1CCC(=O)NC1CCCC1 72369604 MZFDNCSCVJXLFB-SFHVURJKSA-N 423.561 3.063 0 40 HGAB COCc1cccc(OCC2(CN3CCN(C(=O)c4ccccc4O)CC3)CC2)c1 89420357 ICXRZGCKYSUHCE-UHFFFAOYSA-N 410.514 3.156 0 40 HGAB COc1nc(C(=O)Nc2cccc(C(=O)N3CCC(CO)CC3)c2)cc2ccccc12 89420759 QNSUHKQJEMWUGQ-UHFFFAOYSA-N 419.481 3.340 0 40 HGAB O=C(c1ccccc1NS(=O)(=O)c1ccc(F)cc1)N1CCOC2(CCC2)C1 95451967 JCJFAGZTSKCEIM-UHFFFAOYSA-N 404.463 3.022 0 40 HGAB C[C@@H](OC(=O)c1ccc2c(c1)NC(=O)CCN2C)C(=O)Nc1ccc(Cl)cc1 95963942 MVHVYHAXWHCERT-GFCCVEGCSA-N 401.850 3.302 0 40 HGAB CSc1ccc([C@@H](O)CNS(=O)(=O)c2ccc(NC(=O)C(C)C)cc2)cc1 96103226 YSJBSEHSRJJBDK-SFHVURJKSA-N 408.545 3.015 0 40 HGAB COc1ccc(-c2ncnc3c2c(C(=O)NC[C@H]2CCCO2)c2ccccn23)cc1 96146680 XMIXCYBLCYBOKU-QGZVFWFLSA-N 402.454 3.467 0 40 HGAB Cc1nc(-c2ccccc2)sc1CNC(=O)C[C@H]1CSc2ncc(C)c(=O)n21 96342236 MVBIORIVDDARQW-HNNXBMFYSA-N 412.540 3.337 0 40 HGAB O=C(Cn1nc2c(cc1=O)CCCCC2)N1CC=C(c2c[nH]c3ccccc23)CC1 96345037 XNCKGVXJDBDGQH-UHFFFAOYSA-N 402.498 3.309 0 40 HGAB Cc1cc(NC(=O)CN(C)[C@@H](C)C(=O)NC(c2ccccc2)c2ccccc2)no1 96992979 VUCTZZAIHXMMKQ-KRWDZBQOSA-N 406.486 3.148 0 40 HGAB CC(=O)c1ccc(C(=O)NCCN2C(=O)S/C(=C/c3ccccc3)C2=O)s1 97998638 WAFLBDZMLHIVER-LFIBNONCSA-N 400.481 3.417 0 40 HGAB Cc1ccc(C(=O)N2CCC[C@H]2c2cc3nc4c(c(O)n3n2)CCN(C(C)C)C4)cc1 100234245 HXJUBBNJTGNMBX-NRFANRHFSA-N 419.529 3.487 0 40 HGAB COc1ccccc1NC(=O)[C@H]1CC[C@H](Cn2c(=O)[nH]c3ccccc3c2=O)CC1 101647783 MWOITYSQBBASLW-IYBDPMFKSA-N 407.470 3.144 0 40 HGAB C[C@@H](NC(=O)c1ccc2c(=O)n(C)c(S)nc2c1)c1ccccc1Br 102170378 BIXPIEHRYNKZPY-SNVBAGLBSA-N 418.316 3.476 0 40 HGAB CC[C@@H](C(=O)N[C@H](C)COc1ccc(C)cc1)N(c1cccc(C)c1)S(C)(=O)=O 220524941 RMJPKGYYHNUIBW-NQIIRXRSSA-N 418.559 3.432 0 40 HGAB CS(=O)(=O)N(CC(=O)NCCc1ccc(F)cc1)c1ccc(Cl)c(Cl)c1 223714667 FMZLVJFISGPDLR-UHFFFAOYSA-N 419.305 3.257 0 40 HGAB Cc1ccccc1N(C)S(=O)(=O)c1cccc(C(=O)NCCCN2CCCC2)c1 224123208 YAQNLUZJJHNDLH-UHFFFAOYSA-N 415.559 3.036 0 40 HGAB COc1ccc(NC(=O)[C@]2(C)CCN(c3c(C)cccc3C)S2(=O)=O)c(OC)c1 225947218 GGUCOXSRAOLJQX-NRFANRHFSA-N 418.515 3.258 0 40 HGAB NS(=O)(=O)c1cccc(NS(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)c1 226855999 QRGDWBJPRUZCOC-UHFFFAOYSA-N 415.707 3.095 0 40 HGAB Cc1ccc(=O)n(CC(=O)N2CCC[C@H]2c2ncc(Cc3ccccc3Cl)o2)n1 257298344 RLHAKOHETHFAMV-SFHVURJKSA-N 412.877 3.148 0 40 HGAB CCCn1ccc(C(=O)N2CCC[C@@H](c3n[nH]cc3C(=O)N3CCCCCC3)C2)n1 257302628 SDPYPZSRWPEAQK-QGZVFWFLSA-N 412.538 3.052 0 40 HGAB Cc1cc(Nc2nc(C)c(C)s2)cc([C@H]2CCN(C(=O)Cc3nonc3C)C2)n1 257340220 ZFCQQCKIFWXNCK-HNNXBMFYSA-N 412.519 3.457 0 40 HGAB CCc1cccc(C)c1NS(=O)(=O)c1ccc(C)c(C(=O)N2CCOCC2)c1 408606982 PNZGJLAJBANVHO-UHFFFAOYSA-N 402.516 3.139 0 40 HGAB CCC[C@H](C)NC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(F)cc1 409340210 SFWFWXFDOOAEHU-HNNXBMFYSA-N 408.495 3.334 0 40 HGAB O=C1NCCN1c1ccc(F)c(-c2nc(-c3cc(OCC(F)F)ccn3)no2)c1 546557032 YKGDELRBAFYVJK-UHFFFAOYSA-N 405.336 3.111 0 40 HGAB O=C1CCC(=O)N1c1ccc(S(=O)(=O)NCc2ccc(-c3ccsc3)o2)cc1 575611799 XDKVJBHQKRUWFE-UHFFFAOYSA-N 416.480 3.140 0 40 HGAB O=C(Nc1ccccc1)c1nnc2n1CC[C@@]1(CC2)CCN(C(=O)c2cccs2)C1 585107559 ZTYAEYBCNKDRQN-JOCHJYFZSA-N 421.526 3.461 0 40 HGAB CCOc1cc(C=c2sc3n(c2=O)CCN=3)ccc1OCc1ccccc1Cl 585680330 PTSQMMCLNCDKOP-UHFFFAOYSA-N 414.914 3.003 0 40 HGAB C[C@H]1CCn2ncc(C(=O)N[C@@H]3CCc4nc(-c5ccc(F)cc5F)cn4C3)c2C1 1615613143 QJMRUHHASCTQDC-DZGCQCFKSA-N 411.456 3.352 0 40 HGAB Cc1ccc2cc(CN(Cc3cccnc3)C(=S)NC[C@@H]3CCCO3)c(=O)[nH]c2c1 1224174 JXVZSWYWTREEMZ-FQEVSTJZSA-N 422.554 3.287 0 40 HGAB C[C@@H](Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1)C(=O)N1CCC[C@H]1C(=O)O 2139076 CMBDKCKWKSHDKO-KUHUBIRLSA-N 407.422 3.303 0 40 HGAB biogenic O=C(COC(=O)c1cccc(I)c1)Nc1ccc(Cl)cn1 2631725 QPJLSQVDVWZFPP-UHFFFAOYSA-N 416.602 3.135 0 40 HGAB C[C@H]1Cc2ccccc2N1C(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 4166112 DHMQQUVGZPYAOA-IFXJQAMLSA-N 404.919 3.471 0 40 HGAB COc1ccc2cc(-c3ccc(OC[C@H](O)CNC(C)(C)C)cc3)n(C)c(=O)c2c1 4213051 MZELTXWHFDTAOO-GOSISDBHSA-N 410.514 3.342 0 40 HGAB in-man Cc1ccc(OCCOC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)cc1 4836076 ZERACWPWVYNTNG-UHFFFAOYSA-N 415.467 3.302 0 40 HGAB Cc1csc2nc(COC(=O)c3ccccc3NC(=O)c3ccco3)cc(=O)n12 4979792 HAVVAEBEMPHAOC-UHFFFAOYSA-N 409.423 3.267 0 40 HGAB COc1cc(OC)cc(C(=O)Nc2nnc(-c3cc(OC)c(OC)c(OC)c3)o2)c1 5169511 JOXXUKZGUMYQTR-UHFFFAOYSA-N 415.402 3.032 0 40 HGAB COc1ccc(-c2csc(NC(=O)C3=C[C@H]4C=CC=C[C@H]4OC3=O)n2)c(OC)c1 6441392 PYEVZSXBSYBGFU-SJKOYZFVSA-N 410.451 3.360 0 40 HGAB O=C1S/C(=C\c2ccccc2Cl)C(=O)N1CC(=O)N1CCCC[C@@H]1CCO 6660233 CYABASQBLDNRON-VQCBNXJZSA-N 408.907 3.140 0 40 HGAB O=C(COc1ccccc1Cl)OCc1cc(=O)n2c3c(sc2n1)CCCC3 7159589 PETHWZAOCAJBRE-UHFFFAOYSA-N 404.875 3.410 0 40 HGAB Cc1ccc(C)c(NC(=O)[C@H](OC(=O)C[C@H]2CCS(=O)(=O)C2)c2ccccc2)c1 7630043 QDVDPTFHZYBTRD-DYESRHJHSA-N 415.511 3.351 0 40 HGAB COc1ccc(CC[C@@]2(C)NC(=O)N(Cc3nc(-c4ccsc4)no3)C2=O)cc1 7831989 WXXUHUYLYYICMU-HXUWFJFHSA-N 412.471 3.250 0 40 HGAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)OCC(=O)Nc1sccc1C(N)=O 9127732 DQUVVVUUTPJJFU-MRVPVSSYSA-N 417.270 3.103 0 40 HGAB COc1ccc(C(=O)COC(=O)Cn2c(C(F)(F)F)nc3ccccc32)cc1OC 9285052 IWQLYWGSROCKML-UHFFFAOYSA-N 422.359 3.498 0 40 HGAB Cn1c(=O)c2c(-c3ccccc3)n3c(c2n(C)c1=O)[C@@H](c1cccc(Cl)c1)OCC3 9429368 YPQHLZJTJHTXBT-OAQYLSRUSA-N 421.884 3.479 0 40 HGAB C[C@H](OC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)c1nnc(-c2cccs2)o1 9962799 OQBFVFUFNMPUMY-QMMMGPOBSA-N 413.864 3.017 0 40 HGAB CS(=O)(=O)c1ccccc1NC(=O)CNc1cc(Cl)ccc1N1CCCC1 11621048 XCNSPONJHMKUHD-UHFFFAOYSA-N 407.923 3.394 0 40 HGAB CN1CCC(N2CCC(C(=O)N[C@H](Cc3cccs3)c3nccs3)CC2)CC1 12226079 GOYPSWOTNHNGOY-LJQANCHMSA-N 418.632 3.411 0 40 HGAB CC(=O)N1CCN(C(=O)/C=C/c2cn(Cc3ccccc3)nc2-c2ccccc2)CC1 12460457 IHEFYORPUBILKS-OUKQBFOZSA-N 414.509 3.302 0 40 HGAB CC1CCN(CC(=O)Nc2ccc(S(=O)(=O)N3[C@H](C)CCC[C@H]3C)cc2)CC1 12481597 AAHHGSGKVBCAHW-QZTJIDSGSA-N 407.580 3.309 0 40 HGAB CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)cc1 12521443 XLQZUEPAGGTNPJ-HOTGVXAUSA-N 418.515 3.136 0 40 HGAB O=C(Cn1c(C(F)(F)F)nc2ccccc21)NCC1(N2CCOCC2)CCCCC1 12531432 PREVSHGGIIOHGF-UHFFFAOYSA-N 424.467 3.206 0 40 HGAB CS(=O)(=O)c1cccc(C(=O)Nc2ccc(N3CCc4sccc4C3)nc2)c1 12937900 UPGVKYBOGROUQJ-UHFFFAOYSA-N 413.524 3.362 0 40 HGAB Cc1nnc(SCC(=O)Nc2sc(-c3ccccc3)cc2C(N)=O)n1C1CC1 12972558 LQULTXZAPLHKNG-UHFFFAOYSA-N 413.528 3.480 0 40 HGAB Cc1cc(C)n2ncc(C(=O)N3CCC[C@@H]([C@H]4CC(=O)c5ccccc5O4)C3)c2n1 13225429 QQFXRFGMSYRHLM-IIBYNOLFSA-N 404.470 3.232 0 40 HGAB Cc1cc2c(cc1C(=O)c1ccco1)N(CC(=O)N1CCCCC1)C(=O)C(C)(C)O2 13226760 GFGGZXQOTSDJER-UHFFFAOYSA-N 410.470 3.336 0 40 HGAB COc1ccc(C(=O)Nc2nnc([C@@H]3CC(=O)N(c4ccc(OC)cc4)C3)s2)cc1 13944237 YSJHBADSMPGCKJ-CQSZACIVSA-N 424.482 3.328 0 40 HGAB COc1ccc(Cl)cc1C(=O)Nc1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O 13955151 IMYSDNYWADZOMB-AWEZNQCLSA-N 414.845 3.376 0 40 HGAB O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cc2c(s1)CCCCC2 14158140 DGKJVVXBTGWLJL-UHFFFAOYSA-N 420.556 3.290 0 40 HGAB Cc1ccc(SCCNC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 14803638 KQABYJPVGUEBOE-UHFFFAOYSA-N 418.584 3.304 0 40 HGAB COC(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(Br)cc1 16713475 OWOXRSCLAGAMQV-UHFFFAOYSA-N 405.277 3.357 0 40 HGAB CC(C)c1ccccc1OCC(=O)N1CCO[C@@H](c2nc(-c3ccccn3)no2)C1 19453393 AVEDACTVUIWBRP-LJQANCHMSA-N 408.458 3.234 0 40 HGAB CCN(CC(=O)N[C@@H]1CCCc2ccccc21)S(=O)(=O)c1ccc(OC)c(C)c1 19929984 SJJICNVPTZDARM-HXUWFJFHSA-N 416.543 3.208 0 40 HGAB Cc1cc(C)c(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccc(F)cc3)C2)c(C)c1 20017108 QFQAAWRRTBUAES-IBGZPJMESA-N 418.534 3.468 0 40 HGAB COc1ccc(F)cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc2cc(F)ccc2C)C1 20017722 CFFLIFWFNTWDJI-AWEZNQCLSA-N 424.469 3.321 0 40 HGAB O=C(N1CCN(c2cnccn2)CC1)C1(c2ccc(Br)cc2)CCCC1 25835773 GMECBXPEOPZWAK-UHFFFAOYSA-N 415.335 3.400 0 40 HGAB COc1ccc(CN(C)CCC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1OC 26901020 RQGZAMNLOCUXOP-UHFFFAOYSA-N 415.509 3.014 0 40 HGAB Cc1cc(C)c2oc(C(=O)NC[C@H](c3cccs3)N3CCOCC3)cc(=O)c2c1 28289050 RBTQKSISXFOWEA-QGZVFWFLSA-N 412.511 3.275 0 40 HGAB COc1ccc([C@@H](CNc2nc3ccccc3nc2C)N2CCOCC2)cc1OC 30009181 KFTOLIHTFOQWFH-HXUWFJFHSA-N 408.502 3.441 0 40 HGAB COc1ccccc1OCCNC(=O)COc1cccc(NC(=O)c2ccco2)c1 32817799 LFWNCKFMJRNMCJ-UHFFFAOYSA-N 410.426 3.115 0 40 HGAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)NCc1ccccc1Cn1cccn1 32862365 SVVZNOGWBVDDHO-SFHVURJKSA-N 415.501 3.415 0 40 HGAB CN(C)CCN(CCc1ccccc1)C(=O)CCNC(=O)c1ccc(Cl)cc1 32931705 BUQAPDYRYMOVCB-UHFFFAOYSA-N 401.938 3.093 0 40 HGAB Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@H]2CCCN21 35840132 GDODBXYULPSREU-FZONSQQESA-N 421.884 3.080 0 40 HGAB CCC(CC)[C@@H](CNC(=O)C(=O)Nc1cc(Cl)ccc1Cl)N1CCOCC1 41320254 FBPRCSXFMRDBML-QGZVFWFLSA-N 416.349 3.185 0 40 HGAB Cc1ccc(C)c([C@H](C)NC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)c1 44905935 PPLKFDVHDSMABQ-IFXJQAMLSA-N 422.934 3.361 0 40 HGAB O=C(c1nn(-c2ccc(F)c(F)c2)c2c1CCC2)N1CCN(c2nccs2)CC1 45037018 IFZPNTNEOMYBDF-UHFFFAOYSA-N 415.469 3.058 0 40 HGAB Cc1cnc2c(S(=O)(=O)N3CCC(NC(=O)OC(C)(C)C)CC3)cccc2c1 47541956 BOZBZZBZHNKVOC-UHFFFAOYSA-N 405.520 3.221 0 40 HGAB Cc1cc(NC(=O)Cn2c(C)nc(-c3ccccn3)cc2=O)ccc1Br 49404809 YKBIZRKOVJIBDD-UHFFFAOYSA-N 413.275 3.323 0 40 HGAB Cc1noc([C@H]2CCCN(C(=O)[C@H](NC(=O)c3ccc(Cl)cc3)C(C)C)C2)n1 54661340 BOPOCRZARUYTFY-DOTOQJQBSA-N 404.898 3.192 0 40 HGAB COc1ccc(C2CC(=O)N(CCN3CCN(c4ccccc4C)CC3)C(=O)C2)cc1 55300883 FSJATAQUBLXHGV-UHFFFAOYSA-N 421.541 3.058 0 40 HGAB Nc1cccc(Cl)c1N1CCN(C(=O)COc2ccc(Br)cc2)CC1 57332173 IBCJIUVAKHCQAR-UHFFFAOYSA-N 424.726 3.412 0 40 HGAB Cc1cc(S(=O)(=O)Nc2ccc(F)cc2Br)ccc1OCC(=O)O 58377251 XPYUAMOPSBJCGT-UHFFFAOYSA-N 418.240 3.161 0 40 HGAB CCOc1ccc(NC(=O)c2cnc(N3CCN(C4CCCCC4)CC3)nc2N)cc1 65154833 JCIWROLBQJSTNX-UHFFFAOYSA-N 424.549 3.165 0 40 HGAB COc1cccc(-c2cn(C)c3c(=O)n(CC(=O)Nc4ccccc4OC)cnc23)c1 67235477 XLIDNAZVAOZQRO-UHFFFAOYSA-N 418.453 3.058 0 40 HGAB Cc1nn([C@H]2CCS(=O)(=O)C2)c2c1[C@@H](c1ccccc1Br)CC(O)=N2 71279148 YDIUOHSFDDKKKE-WCQYABFASA-N 424.320 3.437 0 40 HGAB Cc1c(-c2ccccc2)sc(NC(=O)c2ncccn2)c1C(=O)N1CCOCC1 72301000 KQMTZNTVAAHFIM-UHFFFAOYSA-N 408.483 3.238 0 40 HGAB COc1cc(CN2CCC3(CC2)C[C@@]2(CO3)NC(=O)c3ccccc3N2)cc(OC)c1 72325420 KGOPSNXTURVMPV-DEOSSOPVSA-N 423.513 3.011 0 40 HGAB CCCNC(=O)CN1N=C(c2ccc(OC)cc2)Cn2c(cc3ccccc32)C1=O 72334571 FSYOHOCDBWSJKN-UHFFFAOYSA-N 404.470 3.036 0 40 HGAB CC(=O)NCc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2CNC(=O)OC(C)(C)C)s1 78877523 PRDUFIOQCZGXDB-GDBMZVCRSA-N 409.552 3.198 0 40 HGAB Cc1cc(C)n2nc(CC(=O)Nc3cc(C45CC6CC(CC(C6)C4)C5)[nH]n3)nc2n1 84109888 YDWWMIBSSCFILD-UHFFFAOYSA-N 405.506 3.113 0 40 HGAB CCN(CC)C(=O)c1ccc(S(=O)(=O)NC[C@H](C[C@H](C)O)c2ccccc2)cc1 84771021 SROHYENHVGFKTM-PXNSSMCTSA-N 418.559 3.002 0 40 HGAB COc1ccc(NC(=O)COc2coc(CN3CCCCCC3)cc2=O)c(OC)c1 95479173 GUXZRGPVWLRLFO-UHFFFAOYSA-N 416.474 3.051 0 40 HGAB O=C(NCC1(c2ccccc2)CCOCC1)c1ccccc1S(=O)(=O)C(F)F 96120219 VSYGLSYBTOJSQX-UHFFFAOYSA-N 409.454 3.161 0 40 HGAB Cc1ccc(CS(=O)(=O)N2CCc3c(CN4CCCC4)nn(C(C)C)c3C2)cc1 96255951 FXEOFBBMIHDNCJ-UHFFFAOYSA-N 416.591 3.256 0 40 HGAB COc1ccc2c(c1)O[C@]1(C[C@@H]3CC[C@@H]1C[C@@H]3C(=O)NCc1cccc(F)c1)NC2=O 100181737 WBJQPRCVNUJKNR-BCGPCHPTSA-N 424.472 3.405 0 40 HGAB CC(=O)c1cccc(NC(=O)CCCCCN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@H]3C2=O)c1 100394883 AQIZKCBRIYLJCU-XPRTXTSQSA-N 420.509 3.441 0 40 HGAB COc1ccc(NC(=O)c2cnn3c2NC(C(=O)O)=C[C@@H]3c2ccccc2OC)cc1 102810758 LFQKZWFRJNCHRS-GOSISDBHSA-N 420.425 3.136 0 40 HGAB COc1ccc(-c2nc(NC(=O)CN3C(=O)[C@H]4CCCC[C@@H]4C3=O)sc2C)cc1 102888909 NXOYYBFWXUGYIA-HOTGVXAUSA-N 413.499 3.241 0 40 HGAB C[C@H](NC(=O)c1ccccc1)c1nnc(SCC(=O)N[C@@H]2CCCC[C@@H]2C)n1C 102958478 RVIDMHALPSSIEO-YQQAZPJKSA-N 415.563 3.093 0 40 HGAB Cc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1Cl 107079023 OSLZLXPFTSDHGI-CYBMUJFWSA-N 404.825 3.322 0 40 HGAB Cc1ccc(C)c(NC(=O)CCCN(c2ccc3c(c2)OCO3)S(C)(=O)=O)c1 113943496 JLKHPHVNBOBONJ-UHFFFAOYSA-N 404.488 3.217 0 40 HGAB COc1ccc(OC)c(N([C@@H](C)C(=O)Nc2cc(C)cc(C)c2)S(C)(=O)=O)c1 220206019 INHFSRMHWZKIPS-HNNXBMFYSA-N 406.504 3.114 0 40 HGAB CCOc1ccc(CCCNC(=O)c2cccc(N3CCCCS3(=O)=O)c2)cc1 222561245 ZZMDOSYURKZJKU-UHFFFAOYSA-N 416.543 3.378 0 40 HGAB Cc1cc(S(=O)(=O)N(C)C)ccc1OCC(=O)NCc1cccc2ccccc12 222813572 KATUBSDAOKKYCD-UHFFFAOYSA-N 412.511 3.094 0 40 HGAB COc1ccccc1N(CCCC(=O)NCCSC1CCCC1)S(C)(=O)=O 223095081 NIEVCQFUQZLCDR-UHFFFAOYSA-N 414.593 3.033 0 40 HGAB CCC(=O)N1CCc2cc(S(=O)(=O)NCCOc3cccc4ccccc34)ccc21 223575805 RNQRARXHXPGOQR-UHFFFAOYSA-N 424.522 3.496 0 40 HGAB COC(=O)c1c(NS(=O)(=O)c2cc(OC)ccc2OC)sc2c1CCCC2 223715295 OUQUSVBKTNLXOA-UHFFFAOYSA-N 411.501 3.232 0 40 HGAB O=C1CCCN1Cc1ccc(CNC(=S)Nc2ccc(N3CCCC3=O)cc2)cc1 225649661 KSGLYBCJVUGVMU-UHFFFAOYSA-N 422.554 3.422 0 40 HGAB COc1ccc(N2C(=O)[C@H]3[C@H]4C[C@H]([C@H]3C2=O)[C@H]2ON=C(c3ccc(C)cc3)[C@@H]42)cc1 248106211 QUTVFXKBAUWMRT-WWFOSYLESA-N 402.450 3.178 0 40 HGAB CO[C@H]1CN(CC(=O)Nc2cccc(-c3csc(C)n3)c2)CC[C@@]12CCCO2 257222674 DUGWAVPNCVMBHJ-FPOVZHCZSA-N 401.532 3.327 0 40 HGAB Cc1cccc(C[C@H]2CCCN(C(=O)c3cccc(OCCN4CCCC4=O)c3)C2)n1 257291925 QJGLWRMZDFGMID-HXUWFJFHSA-N 421.541 3.486 0 40 HGAB CC(=O)N1CCC[C@@H]1C(=O)N1CC[C@@H]2O[C@@H]3c4ccccc4OC(C)(C)[C@H]3C[C@@H]2C1 257343375 ZSSKLUMRWSYSON-DIINWTLSSA-N 412.530 3.163 0 40 HGAB COc1ccc(N2CC[C@](C)(C(=O)Nc3ccc(OC(C)C)cc3)S2(=O)=O)cc1 260832763 LRLCSXGBINBWNZ-OAQYLSRUSA-N 418.515 3.420 0 40 HGAB Cc1ccc(C(=O)NC[C@H]2CC[C@]3(COCCN(C[C@H]4C[C@@H]5C=C[C@H]4C5)C3)O2)cc1 306139307 SUHXXBVZYCZOEE-JIOWWTJOSA-N 410.558 3.187 0 40 HGAB Cc1cccc(CN2C[C@@H]3c4cc(-c5ccc(F)nc5)ccc4S(=O)(=O)[C@@H]3C2)n1 306142567 XDIUEFNZKNEEFT-TZIWHRDSSA-N 409.486 3.346 0 40 HGAB O=S(=O)(c1cccc(F)c1)N1CCC[C@@]2(CC1)CN(Cc1cccs1)CCO2 306144502 ZGSNTGNSUKFYQE-HXUWFJFHSA-N 424.563 3.333 0 40 HGAB CN1c2ccc(NC(=O)CCC(=O)c3ccc(Cl)cc3)cc2N(C)S1(=O)=O 390827386 XHECJUCBONNFBB-UHFFFAOYSA-N 407.879 3.072 0 40 HGAB CC(C)NC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(Br)cc1 409005892 XSARMXZVSAPOQV-UHFFFAOYSA-N 417.369 3.297 0 40 HGAB CN1C(=S)N(c2ccccc2)C(=O)/C1=C/c1ccc(OCC(=O)O)c(Cl)c1 409049456 QXMNNBAAQJMRLW-GDNBJRDFSA-N 402.859 3.408 0 40 HGAB O=C(O)CN1C(=O)S/C(=C/c2ccc(OCc3ccc(C(=O)O)cc3)cc2)C1=O 409138406 BHIRHKLHWMKGON-CXUHLZMHSA-N 413.407 3.085 0 40 HGAB CCn1c(CNC(=O)c2ccccc2)nnc1SCC(=O)Nc1ccc(F)cc1 409153170 KZNKXKUWBZHFRE-UHFFFAOYSA-N 413.478 3.098 0 40 HGAB O=C(N[C@@H]1CCN(c2ccc(C(F)(F)F)cn2)C1)c1ccc(Cn2ccnc2)cc1 585304583 AXQDWZJLJMTVJX-GOSISDBHSA-N 415.419 3.354 0 40 HGAB CCOC(=O)c1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CC)cc1 872653 KSMSFAWSKAWMFN-UHFFFAOYSA-N 411.483 3.324 0 40 HGAB Cc1cc(=O)oc2cc(OC(=O)C(=O)Oc3ccc4c(C)cc(=O)oc4c3)ccc12 2057756 ZNSRYLCPSGZRSO-UHFFFAOYSA-N 406.346 3.027 0 40 HGAB NC(=O)CSc1oc(-c2cccs2)nc1S(=O)(=O)c1ccc(Cl)cc1 2461037 IQDLYAAAIRWJDV-UHFFFAOYSA-N 414.917 3.467 0 40 HGAB COC[C@H](C)n1c(SCC(=O)Nc2ccc(OC)cc2)nc2ccccc2c1=O 3403283 IPDZITMYBUIFOK-AWEZNQCLSA-N 413.499 3.343 0 40 HGAB COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3nccs3)c2)cc1 3549685 YVDITSWJYALMIE-UHFFFAOYSA-N 403.485 3.229 0 40 HGAB O=C(N[C@H]1CCCc2ccccc21)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 4134233 BTKLXNNNUGQDSP-AEFFLSMTSA-N 404.557 3.343 0 40 HGAB Cc1onc(-c2ccccc2)c1C(=O)OCC(=O)N1CCN(c2ccccc2)CC1 4254363 SOKRRDNKXONRQV-UHFFFAOYSA-N 405.454 3.156 0 40 HGAB COc1cccc(OC)c1C(=O)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1 4438893 VDVMTZSONPLRLI-UHFFFAOYSA-N 418.515 3.377 0 40 HGAB CC(=O)N1CCC[C@@H]1C(=O)Nc1ccc(C(=O)NC23CC4CC(CC(C4)C2)C3)cc1 4727403 FDKVSCFRMAMTDG-WWKNUYBVSA-N 409.530 3.335 0 40 HGAB CCS(=O)(=O)c1ccccc1C(=O)Nc1nc2cc3c(cc2s1)OCCO3 5241039 UPUBYQZKEMPRKB-UHFFFAOYSA-N 404.469 3.113 0 40 HGAB Cc1ccc(CNC(=O)[C@@H](NC(=O)c2c(C)nn(C)c2Cl)c2ccccc2)cc1 6029852 PBCKULGKIHENJH-IBGZPJMESA-N 410.905 3.478 0 40 HGAB NC(=O)c1c(NC(=O)COC(=O)c2ccc(Cl)c(Cl)c2)sc2c1CCC2 6060398 LNELUOJCVNXWNM-UHFFFAOYSA-N 413.282 3.438 0 40 HGAB CN(C)C(=O)CSc1ccccc1C(=O)OCC(=O)Nc1ccc2c(c1)CCC2 6589623 GNMFXSIHZVXUFR-UHFFFAOYSA-N 412.511 3.151 0 40 HGAB CC(C)NC(=O)CSc1ccccc1C(=O)OCC(=O)Nc1ccc(F)cc1 6881417 WIXTUVKVIXYKJB-UHFFFAOYSA-N 404.463 3.238 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc4ccccc4s3)CC2)cc1 7284887 NZZIQEWWSSNBQD-UHFFFAOYSA-N 400.525 3.356 0 40 HGAB Cc1ccc(/C=C/C(=O)N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)s1 8306140 UBFZTIUXOGXABG-CMDGGOBGSA-N 410.948 3.256 0 40 HGAB Cc1cc(C(=O)O)cc(S(=O)(=O)NNc2ncc(C(F)(F)F)cc2Cl)c1C 8851115 RTCUEXNAXOIXAJ-UHFFFAOYSA-N 423.800 3.374 0 40 HGAB CC[C@@H](C(=O)Nc1cccc(Br)c1)n1c(=O)[nH]c2ccccc2c1=O 8995266 ASQXYSDOWBHFPB-HNNXBMFYSA-N 402.248 3.042 0 40 HGAB CCn1c(SCC(=O)NCC(=O)Nc2ccc(F)c(F)c2F)nc2ccccc21 9491637 WKPFKYAARKSVPO-UHFFFAOYSA-N 422.432 3.321 0 40 HGAB O=C(CC[C@@H]1N=C(O)N(Cc2ccco2)C1=O)Nc1ccc(OC(F)(F)F)cc1 9530711 DCMONQJUHGCEDI-AWEZNQCLSA-N 411.336 3.222 0 40 HGAB COc1cc(CNC(=O)c2nc(C)n(-c3ccc(Cl)cc3)n2)cc(OC)c1OC 9888263 FCERGWGVNDBCOI-UHFFFAOYSA-N 416.865 3.185 0 40 HGAB CCN(Cc1cccc(C(F)(F)F)c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 10430773 GCWAUIFDPFGUKH-UHFFFAOYSA-N 418.419 3.212 0 40 HGAB O=C(/C=C/c1ccc(Br)o1)Nc1ccc(N2CCCS2(=O)=O)cc1 12170875 ROLBTZHQUYXGTO-VQHVLOKHSA-N 411.277 3.234 0 40 HGAB CC(C)NC(=O)Cn1cc(CN2CCC[C@@H](C(=O)N3CCCC3)C2)c2ccccc21 12241450 FJFFUEJYOPOVOI-LJQANCHMSA-N 410.562 3.000 0 40 HGAB COc1ccc(CCNC(=O)[C@H]2CCCN2C(=O)Nc2ccc(C)cc2)cc1OC 12480723 ACZMCTWABLFQHH-LJQANCHMSA-N 411.502 3.367 0 40 HGAB C[C@@H](NC(=O)C[C@@H](NC(N)=O)c1ccccc1Cl)c1ccc2c(c1)OCCO2 12950171 SLPPQRHHGRZSRZ-MLGOLLRUSA-N 403.866 3.088 0 40 HGAB O=C(CCc1cnn(-c2ccccc2)c1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 13128304 CHEOVLRIJWOHNU-UHFFFAOYSA-N 424.526 3.228 0 40 HGAB CCOc1ccc(C(=O)CCC(=O)NCC2(N3CCOCC3)CCCCC2)cc1 14231742 ZPUHRAVTDNGYNV-UHFFFAOYSA-N 402.535 3.200 0 40 HGAB CCOC(=O)c1ccc(Oc2ccc3c(c2)OCO3)c(NC(=O)CCC(=O)OC)c1 15108399 WOOICIMEVLEIGN-UHFFFAOYSA-N 415.398 3.276 0 40 HGAB COc1ccc(S(=O)(=O)[C@@H](CNC(=O)Cc2ccc(F)cc2)c2ccco2)cc1 15781124 JHMGURJZALLZMC-FQEVSTJZSA-N 417.458 3.301 0 40 HGAB O=C(NCc1ccccc1)c1cc(S(=O)(=O)N2CCCC2)ccc1Br 16025369 BSKLMVMMBHNHKM-UHFFFAOYSA-N 423.332 3.164 0 40 HGAB CCOc1ccccc1NC(=O)COc1ccc(S(=O)(=O)NC2CCCC2)cc1 16693523 YGYNASSEJYDXQA-UHFFFAOYSA-N 418.515 3.324 0 40 HGAB Cc1ccccc1NC(=O)Cn1c(C)cc(C)c(S(=O)(=O)c2ccccc2)c1=O 17135981 HJPSKNQUAQHWEG-UHFFFAOYSA-N 410.495 3.245 0 40 HGAB Cc1ccc([C@@H]2CN(CC(=O)N(C)CCc3ccccn3)C[C@H]2c2csnn2)cc1 19211940 WOWUSCLAWIQFNZ-LEWJYISDSA-N 421.570 3.126 0 40 HGAB CC1=C2C[C@@H]3[C@@H](CN4CCN(C(=O)c5ccco5)CC4)C(=O)O[C@@H]3C[C@@]2(C)CCC1 20112563 UFAAOAUAAMIQQW-ZUXGEGRZSA-N 412.530 3.496 0 40 HGAB biogenic COc1ccc(/C=C/C(=O)Nc2cc(S(=O)(=O)NC(C)C)ccc2OC)cc1 20461378 XZEWINOGFRFYHJ-KPKJPENVSA-N 404.488 3.042 0 40 HGAB CC(=O)Nc1sc2c(c1C(=O)OCC(=O)N1CCc3sccc3C1)CCCC2 22005454 ZGOJEZDTVXJIKI-UHFFFAOYSA-N 418.540 3.389 0 40 HGAB CCc1cccc(NC(=O)Cn2c(C)cc(C)c(S(=O)(=O)c3ccccc3)c2=O)c1 23118968 DPPQMCGXBTVPDM-UHFFFAOYSA-N 424.522 3.499 0 40 HGAB Cc1cc2nc(C)c(CCC(=O)NCc3ccc(CN4CCCC4)cc3)c(C)n2n1 24115717 BUMIMULCBAPUMV-UHFFFAOYSA-N 405.546 3.499 0 40 HGAB Cc1nc(NC(=O)CN(C)S(=O)(=O)c2ccccc2)sc1-c1ccccc1 24926793 YEPZXXKQTVBJMC-UHFFFAOYSA-N 401.513 3.378 0 40 HGAB CCC[C@H](C)NC(=O)C1CCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)CC1 24989666 FFVOOAKLXMSORP-ZDUSSCGKSA-N 422.469 3.291 0 40 HGAB CC1=NN(c2ccccc2)C(=O)[C@]12Cc1ccccc1N1CCN(c3ncccn3)C[C@@H]12 25184374 SPBFVEZKVYERER-RCZVLFRGSA-N 424.508 3.137 0 40 HGAB O=C(Cn1cnc2cc(F)ccc2c1=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 27438660 LSUKMWOTMSGNMM-LJQANCHMSA-N 423.444 3.061 0 40 HGAB CC(=O)Nc1cccc(-n2c(C)nn(C[C@H](O)COc3ccc(F)cc3)c2=S)c1 28919538 YMAHHKWBQPXRLP-SFHVURJKSA-N 416.478 3.249 0 40 HGAB COc1cccc([C@@H](CNC(=O)NCc2ccc(NC(=O)C(C)C)cc2)N(C)C)c1 30988976 QEDZSGCYIBSNFD-OAQYLSRUSA-N 412.534 3.392 0 40 HGAB O=C(CCN1C(=O)COc2ccccc21)Nc1ccc(-n2cnc3ccccc32)nc1 32796675 FCJJXTPJPSWPNW-UHFFFAOYSA-N 413.437 3.175 0 40 HGAB Cn1ccnc1[C@@H](NC(=O)CCC(=O)N1CCC(c2ccccc2)=N1)c1ccccc1 32899734 IKNBKGLCRSOHOD-QHCPKHFHSA-N 415.497 3.043 0 40 HGAB CSCC[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N1C[C@H](C)O[C@H](C)C1 32975466 WGAAIXPZHBSAAV-OZVIIMIRSA-N 419.374 3.481 0 40 HGAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 33773614 HHVSTJMOGOAAQP-JTQLQIEISA-N 403.287 3.308 0 40 HGAB COc1cc([C@@H]2CC(=O)Oc3cc(OC)c(OC)c(OC)c32)cc(OC)c1OC 34114876 FQWZRAZLDJCHNW-LBPRGKRZSA-N 404.415 3.179 0 40 HGAB biogenic CC(=O)Nc1ccc(NS(=O)(=O)c2c(C)nn(-c3ccc(F)cc3)c2C)cc1 36357141 YCNVSSBRDSVIMD-UHFFFAOYSA-N 402.451 3.387 0 40 HGAB C[C@H]1CCCN(Cc2ccc(CNC(=O)Cn3cccc(C(F)(F)F)c3=O)cc2)C1 36390721 RBHHMAKSCQBDPW-INIZCTEOSA-N 421.463 3.415 0 40 HGAB Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1cccc([C@]2(C)NC(=O)NC2=O)c1 40117795 GRYVBZJRCYMBMN-ODXCJYRJSA-N 401.850 3.109 0 40 HGAB COCCNC(=O)c1c(NC(=O)c2cc3occc3n2C)sc2c1CCCC2 40268136 YWCUFVOIFDKTRB-UHFFFAOYSA-N 401.488 3.340 0 40 HGAB O=C(NCC1(N2CCOCC2)CCCCC1)Nc1ccc(C(=O)N2CCCC2)cc1 44014542 KWARLDWFGRGRIJ-UHFFFAOYSA-N 414.550 3.079 0 40 HGAB Cc1cc(NC(=O)c2ccc(-c3ccc(F)cc3)o2)n([C@@H]2CCS(=O)(=O)C2)n1 44838886 DJWVRIUCJLOICB-OAHLLOKOSA-N 403.435 3.203 0 40 HGAB CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)S(=O)(=O)CCc1ccccn1 56139744 KOKPEXPNNXHEQT-UHFFFAOYSA-N 402.495 3.048 0 40 HGAB C[C@@H]1CCCC[C@@H]1OCCNC(=O)NCc1cn2cc(Br)ccc2n1 57343440 WWFZWNBNYAGYJA-CJNGLKHVSA-N 409.328 3.491 0 40 HGAB CCN(CC)C(=O)CSc1nc2ccsc2c(=O)n1Cc1cccc(OC)c1 57426139 FFJQNXGBUJPYPS-UHFFFAOYSA-N 417.556 3.475 0 40 HGAB O=C(NCc1ccnc(N2CCCCC2)c1)NCc1ccnc(N2CCCCC2)c1 58011372 YCSGFPFGXLTQSJ-UHFFFAOYSA-N 408.550 3.457 0 40 HGAB COC(=O)CCOc1ccc(S(=O)(=O)Oc2cccc3ccc(C)nc23)cc1 58174429 QXFBJKHEGADDAH-UHFFFAOYSA-N 401.440 3.253 0 40 HGAB CCCC(=O)N[C@@H]1CCCN(C(=O)CSCc2coc(-c3ccccc3)n2)C1 58357279 RBALUYVHSGNQJW-QGZVFWFLSA-N 401.532 3.482 0 40 HGAB COc1cc(C)c2[nH]c3c(c(=O)c2c1)CN(CC(=O)Nc1cc(C)ccc1C)CC3 67349937 PHYHAALCSGLLAX-UHFFFAOYSA-N 405.498 3.459 0 40 HGAB COc1cc2nc(CN3CCC[C@H]3c3nc4ccccc4n3C)[nH]c(=O)c2cc1OC 72314362 DXJYLMPLHNRMLD-SFHVURJKSA-N 419.485 3.164 0 40 HGAB Clc1cc(N2CCC(c3ccn[nH]3)CC2)nnc1N1CCC(c2ccn[nH]2)CC1 95976206 GPEFGMHPNBURQL-UHFFFAOYSA-N 412.929 3.344 0 40 HGAB COC(=O)C[C@H](c1cnn(C)c1)c1c(O)cc(O)c2c(=O)cc(-c3ccccc3)oc12 96115048 QPZFSZUCTXMANN-OAHLLOKOSA-N 420.421 3.300 0 40 HGAB biogenic Cc1cc(C)cc(N(CN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@@H]3C2=O)C(=O)C(F)(F)F)c1 100395565 GEIPTPIPTRNSCC-WJQMWINMSA-N 418.415 3.209 0 40 HGAB Cc1cc(C)c(NC(=O)CN2C(=O)C(=O)N([C@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)C2=O)c(C)c1 104673278 DRFHIHCETLVQIY-OWSLCNJRSA-N 411.502 3.166 0 40 HGAB COc1ccc([C@H](C)NC(=O)CCCN(c2cccc(OC)c2)S(C)(=O)=O)cc1 113967141 GGTNXMBCSYYTSE-INIZCTEOSA-N 420.531 3.127 0 40 HGAB O=C([C@@H]1Cc2ccccc2CN1Cc1ccc(O)cc1)N(CCO)Cc1ccccc1 199424680 UMPKCSBBNYDHIG-VWLOTQADSA-N 416.521 3.340 0 40 HGAB CC[C@H](C(=O)NCCCc1cccc(OC)c1)N(c1ccc(F)cc1)S(C)(=O)=O 219111437 MMKDMBZIYCQSDW-HXUWFJFHSA-N 422.522 3.128 0 40 HGAB CC[C@H](NC(=O)CN(c1ccc(C)cc1)S(C)(=O)=O)c1ccc(OC)c(C)c1 223129098 FAYHSLBTIKOOKY-IBGZPJMESA-N 404.532 3.346 0 40 HGAB CNC(=O)COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1 223279877 LMVRPNJTZSDEMB-UHFFFAOYSA-N 422.812 3.284 0 40 HGAB CCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1ccc2c(c1)OCCO2 223829626 LJSNGIAJYPVCKC-INIZCTEOSA-N 414.477 3.083 0 40 HGAB CC(C)Oc1ccc(CNC(=O)CN(Cc2ccccc2Cl)S(C)(=O)=O)cc1 223850502 CGNVFVAAKOATSU-UHFFFAOYSA-N 424.950 3.205 0 40 HGAB COC[C@H]1CCCN1Cc1nc(C2(O)CCN(Cc3ccccc3F)CC2)cs1 225422794 RJABDOKYGPVSAC-GOSISDBHSA-N 419.566 3.377 0 40 HGAB biogenic,in-vitro COc1ccc(CNC(=S)Nc2ccc(N3CCCC3=O)cc2)c(OC)c1OC 225526878 QNXPGEPSYUREKB-UHFFFAOYSA-N 415.515 3.326 0 40 HGAB O=C(O)c1ccc(-c2ccc(/C=N/N3C(=O)[C@H]4[C@H]5C=C[C@H]([C@H]4C3=O)[C@@H]3C[C@@H]53)o2)cc1 253577852 XOMOWQNKHCBBLX-USVNVPNISA-N 402.406 3.032 0 40 HGAB Cc1c(CN2CCO[C@@H](c3cc(CCOc4ccccc4Cl)[nH]n3)C2)cnn1C 257329724 XLFWBYBXPRORBB-OAQYLSRUSA-N 415.925 3.300 0 40 HGAB Cc1noc(C)c1C(=O)N1CC[C@@]2(COCc3cnc(NCc4ccccc4)nc32)C1 306137113 QLWJXRSGZIJWMM-QHCPKHFHSA-N 419.485 3.008 0 40 HGAB COc1ccc(CNC(=O)[C@H]2CC(=O)N(c3ccc(Br)cc3)C2)cc1 408706507 ALMQITKZWWPKBC-AWEZNQCLSA-N 403.276 3.127 0 40 HGAB O=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)NCc1ccco1 409004790 RPMOIXLRYQIXPO-UHFFFAOYSA-N 418.902 3.440 0 40 HGAB CCCNC(=O)[C@H]1CC(=O)N(c2ccc(OCC(=O)Nc3ccc(CC)cc3)cc2)C1 409123926 FXBGIAFAMWDLMC-SFHVURJKSA-N 423.513 3.146 0 40 HGAB Cc1ncn(-c2ccc(NC(=O)c3ccc(S(N)(=O)=O)c(Cl)c3)cc2)c1C 1628800565 DMWFDVFFHXXJQT-UHFFFAOYSA-N 404.879 3.042 0 40 HGAB COc1ccc(N(CC(=O)NCc2ccccc2Cl)S(C)(=O)=O)cc1Cl 628412 QXHRYYZWSYKGSB-UHFFFAOYSA-N 417.314 3.084 0 40 HGAB CC[C@@]1(C)Cc2c(sc3nnn(CC(=O)Nc4ccc(Cl)cc4)c(=O)c23)CO1 658388 BBDUPHZCNIOKDQ-IBGZPJMESA-N 418.906 3.387 0 40 HGAB O=C(N[C@H]1CCCc2ccccc21)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 1345740 ZFMAOXFTCTTZPT-QFIPXVFZSA-N 412.555 3.422 0 40 HGAB COc1cc2c(cc1OC)[C@@H]1Cc3c(cnc4nc5ccccc5n34)C(=O)N1CC2 1390391 DGOPHSLXOUGYGF-SFHVURJKSA-N 400.438 3.195 0 40 HGAB C[C@@]12CCC(=O)N1[C@H](C(=O)OCC(=O)Nc1ccc(-c3ccccc3)cc1)CS2 2664918 SGMXFKZIMRCIJP-PGRDOPGGSA-N 410.495 3.289 0 40 HGAB NC(=O)c1ccc(NC(=O)COC(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1 3235802 BHAUCFWFILOFFR-UHFFFAOYSA-N 400.862 3.433 0 40 HGAB COC(=O)c1c(NC(=O)CSc2nc3ccccc3c(=O)n2C)sc(C)c1C 3408797 QQFNHVUDHWSEBR-UHFFFAOYSA-N 417.512 3.129 0 40 HGAB CCCn1nc(C(=O)OCC(=O)N[C@H]2CCCc3ccccc32)c2ccccc2c1=O 3427656 JLIWTFOTRNPRCT-FQEVSTJZSA-N 419.481 3.157 0 40 HGAB Cc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)cc1Cl 3549041 QAQMUGDRINUWSJ-UHFFFAOYSA-N 408.907 3.230 0 40 HGAB CCOCCCNC(=S)N(Cc1cc2ccc(C)cc2[nH]c1=O)C[C@@H]1CCCO1 4160769 IBXDTCJUHIPNFE-IBGZPJMESA-N 417.575 3.119 0 40 HGAB O=C(Cn1cc(S(=O)(=O)Cc2ccccc2)c2ccccc21)NCc1ccccn1 4303409 JAMMANBHYPFEIH-UHFFFAOYSA-N 419.506 3.327 0 40 HGAB COC(=O)[C@@](Nc1ccccc1OC)(c1cc(OC)c(O)c(OC)c1)C(F)(F)F 4624691 HFVNWOHSPMYABY-SFHVURJKSA-N 415.364 3.461 0 40 HGAB CCc1nnsc1C(=O)Nc1ccc(S(=O)(=O)N(C)c2ccccc2)cc1 4941931 VTPISFLWDFYSQW-UHFFFAOYSA-N 402.501 3.178 0 40 HGAB COc1ccc(CNC(=O)c2c(N)oc3ccc(Br)cc3c2=O)cc1 5031555 ARLXIJVDVYEVSI-UHFFFAOYSA-N 403.232 3.076 0 40 HGAB COc1ccc(CCNC(=O)c2ccc(N3CCCCS3(=O)=O)cc2Cl)cc1 5099761 XXAGQKOIXHKCFS-UHFFFAOYSA-N 422.934 3.251 0 40 HGAB Cc1ccc(Cl)cc1NS(=O)(=O)c1cc2c3c(cccc3c1)C(=O)NC2=O 5553245 HSYGTQFCPFWPCS-UHFFFAOYSA-N 400.843 3.486 0 40 HGAB CCOc1ccc([C@H](C)NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1OCC 6309235 LFIGZMABYFBJBV-HNNXBMFYSA-N 420.531 3.225 0 40 HGAB C[C@H]1CCCN(c2nc3c(S(=O)(=O)c4ccccc4)nnn3c3ccccc23)C1 6804943 IPXTUERJIXUFIF-HNNXBMFYSA-N 407.499 3.347 0 40 HGAB Cc1nn(C)c(C)c1NC(=O)CSc1nnc(Cc2cccs2)n1C1CC1 7221664 MNEPWRQZQMHOOM-UHFFFAOYSA-N 402.549 3.346 0 40 HGAB CCn1c(S[C@@H](C)C(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)nnc1C1CC1 7618755 QWIRDYXENOVPDW-PXRHCINRSA-N 417.579 3.451 0 40 HGAB CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)c1ccc(-n2ccnc2)cc1 7988551 ZIFLTYDBOGEVIP-QMHKHESXSA-N 415.497 3.278 0 40 HGAB COc1ccc(OCCN(C)CC(=O)Nc2c(C)nn(-c3ccccc3)c2C)cc1 8394388 FEFQBKULQKWFKS-UHFFFAOYSA-N 408.502 3.447 0 40 HGAB CCOc1ccccc1NC(=O)COC(=O)CCC(=O)Nc1cccc(C(C)=O)c1 8415589 NALOTFYUTUUTJP-UHFFFAOYSA-N 412.442 3.189 0 40 HGAB COc1ccc([C@@H]2N=C(NCc3ccc(Cl)cc3)Nc3nc(C)cc(=O)n32)cc1 9287539 MPHWTYNDTWOFAZ-LJQANCHMSA-N 409.877 3.332 0 40 HGAB Cc1ccc(-n2ncc3c(=O)n(NC(=O)C45CC6CC(CC(C6)C4)C5)cnc32)cc1C 10251915 RJTHARVOMJDGIS-UHFFFAOYSA-N 417.513 3.486 0 40 HGAB COc1ccc(N([C@H](C)C(=O)Nc2ccc(F)c(F)c2)S(C)(=O)=O)cc1Cl 10334235 FBKGORKJZVEDQB-SNVBAGLBSA-N 418.849 3.420 0 40 HGAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)C(=O)c1cccc(OC(F)F)c1 10970972 VXQBRZFTRQLCLL-CYBMUJFWSA-N 417.412 3.124 0 40 HGAB COc1ccc(-c2cc(C(=O)Nc3ccccc3)nn2[C@@H]2CCS(=O)(=O)C2)cc1 11996834 FXVLQPXRFWLELC-QGZVFWFLSA-N 411.483 3.171 0 40 HGAB Cc1cc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(OC3CCCC3)cc2)no1 12029106 KCQYXDWQMSQRNA-SFHVURJKSA-N 419.503 3.096 0 40 HGAB Cc1cccc(N2C[C@H](c3nc4ccccc4n3CC(=O)N3CCCC3)CC2=O)c1 12062032 XYXJBYDDYCLRMM-GOSISDBHSA-N 402.498 3.488 0 40 HGAB CC[C@H](Cn1nc(-c2cccs2)ccc1=O)NC(=O)CCn1cnc2ccccc21 12117638 HWMFUPYVOPCQFU-MRXNPFEDSA-N 421.526 3.307 0 40 HGAB COc1ccc(CCNC(=O)[C@@H]2CCCN(C(=O)c3cc4ccccc4[nH]3)C2)cc1 12389387 GXACDBMSFABSRL-LJQANCHMSA-N 405.498 3.388 0 40 HGAB O=C(Cn1c(C2CC2)nc2c(cnn2-c2ccccc2)c1=O)Nc1ccc(F)cc1 12441659 GJRWFERWAQMHFM-UHFFFAOYSA-N 403.417 3.237 0 40 HGAB CN(C[C@@H]1COc2ccccc2O1)C(=O)C1CCN(C(=O)Nc2ccccc2)CC1 12568895 QOHCXPYNGCKLEN-LJQANCHMSA-N 409.486 3.229 0 40 HGAB O=S(=O)(Nc1ccc(N2CCCS2(=O)=O)cc1)c1ccc(C(F)(F)F)cc1 12653385 IYGIFJVRPPAQNN-UHFFFAOYSA-N 420.434 3.046 0 40 HGAB Cc1cccc(-c2n[nH]c(=S)n2CC(=O)Nc2ccccc2N2CCOCC2)c1 12742512 MZOHGHZOFSNRLS-UHFFFAOYSA-N 409.515 3.391 0 40 HGAB CC(C)(C)c1ccc(NC(=O)CN(Cc2ccco2)[C@H]2CCS(=O)(=O)C2)cc1 12767587 LVEOADPOVYGUHF-SFHVURJKSA-N 404.532 3.205 0 40 HGAB Cc1ccc(NC(=O)CN2CCN(C(=O)N[C@H](C)c3ccc(F)c(F)c3)CC2)cc1 12813197 WOECQDVIIXDNSO-MRXNPFEDSA-N 416.472 3.300 0 40 HGAB O=C1OC(c2ccc3c(c2)OCO3)=N/C1=C\c1cc(Br)c2c(c1)OCO2 12857159 BWYTXHKCSYFVPC-QCDXTXTGSA-N 416.183 3.251 0 40 HGAB O=C(NCCc1ccc(-n2cccn2)cc1)c1cccc(I)c1 12924771 YQLLQYKJBLLINA-UHFFFAOYSA-N 417.250 3.449 0 40 HGAB CCCc1nnc(SCC(=O)N[C@H](C)c2ccc(CC(C)C)cc2)n1CC(=O)O 12983414 MURMVCXJQRASHZ-OAHLLOKOSA-N 418.563 3.483 0 40 HGAB Cn1nc(C(C)(C)C)cc1NC(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1 12989561 USMJPSBITOZFBR-GFCCVEGCSA-N 419.323 3.472 0 40 HGAB CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NCCCOC(C)C)cc1 12992372 STDTZSITNMMHIT-UHFFFAOYSA-N 404.532 3.447 0 40 HGAB O=C(NCCc1ccccc1)C1CCN(S(=O)(=O)CCCc2ccccc2)CC1 13683384 ZKHQZHUJULHESU-UHFFFAOYSA-N 414.571 3.020 0 40 HGAB COc1ccc([C@@H]2N(C(=O)N(C)C)[C@H](C)CN2S(=O)(=O)c2ccc(C)cc2)cc1 13844693 UXBFTYQTKXXWIO-UZLBHIALSA-N 417.531 3.079 0 40 HGAB Cc1cc(NC(=O)Cn2nc(C(C)C)c3cnn(-c4ccc(C)c(C)c4)c3c2=O)no1 13971558 HZUIHBGIWMQJRP-UHFFFAOYSA-N 420.473 3.258 0 40 HGAB Cc1ccc(S(=O)(=O)CCC(=O)NCC2(N3CCCCC3)CCCCC2)cc1 14237959 UYILMWIAGSNWKP-UHFFFAOYSA-N 406.592 3.464 0 40 HGAB O=C(NCc1ccc(Cn2cccn2)cc1)C1CCN(C(=O)c2ccc(F)cc2)CC1 14241126 AWQUDGFXWPXVFD-UHFFFAOYSA-N 420.488 3.239 0 40 HGAB O=C(COC(=O)c1sccc1-n1cccc1)Nc1cccc(C(=O)NC2CC2)c1 14255249 QCSBXDZHGZLUOS-UHFFFAOYSA-N 409.467 3.227 0 40 HGAB O=C(CSCc1ccc(F)cc1)OCC(=O)c1c[nH]c(C(=O)N2CCCC2)c1 14677958 VRGFDBDEXNFFJR-UHFFFAOYSA-N 404.463 3.049 0 40 HGAB CCCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)Cc3ccccc3)cc2)CC1 17094085 WXWFTIFLHJFBHM-UHFFFAOYSA-N 424.570 3.191 0 40 HGAB CC(=O)N1C[C@@H](c2ccsc2)[C@@H]2CN(S(=O)(=O)c3ccc(C)cc3)CC[C@@H]21 19211623 CCKSLSKKEUMIAR-UFYCRDLUSA-N 404.557 3.082 0 40 HGAB NC(=O)[C@@]1(Cc2ccccc2-c2ccncc2)CCN(C(=O)COc2ccccc2)C1 19373397 HGCRJEJXMNQERB-RUZDIDTESA-N 415.493 3.074 0 40 HGAB COc1cccc(-c2noc(CCC(=O)Nc3ccc4c(c3)NC(=O)[C@@H](C)O4)n2)c1 19462153 MQIFRFARAWUMRC-GFCCVEGCSA-N 408.414 3.036 0 40 HGAB CCNC(=O)[C@]1(Cc2ccccc2-c2ccccc2)CCN(C(=O)c2cc[nH]n2)C1 19528995 JNXFYOPRIUDBMA-DEOSSOPVSA-N 402.498 3.288 0 40 HGAB CNC(=O)c1cnc(C)nc1[C@H]1CCCCN1CC(=O)N(Cc1ccccc1)C(C)C 19766499 NWORLWNPBZOXMO-OAQYLSRUSA-N 423.561 3.109 0 40 HGAB CCOc1ccc(NC(=O)CSCc2nc(Nc3nc(C)cc(C)n3)no2)cc1 19819645 RXAAKKJJCSRXAG-UHFFFAOYSA-N 414.491 3.491 0 40 HGAB COc1ccccc1[C@@H](C)NC(=O)CCc1ccc(S(=O)(=O)NC(C)C)cc1 20023610 BCUPFCKVAYBAGZ-MRXNPFEDSA-N 404.532 3.192 0 40 HGAB CCOC(=O)[C@](NC(=O)c1ccc(OC)cc1)(NC1CCCCC1)C(F)(F)F 20032619 MJDFMQGFFHUTDK-GOSISDBHSA-N 402.413 3.169 0 40 HGAB CCOC(=O)[C@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@@H]1c1sccc1C 20802539 WVQOPVMWAGKGMZ-SJORKVTESA-N 413.499 3.168 0 40 HGAB CN(Cc1ccccc1N1CCCCC1)C(=O)CNC(=O)c1ccc(F)cc1F 21414248 XLNYYSJDDYDFDO-UHFFFAOYSA-N 401.457 3.344 0 40 HGAB CC(C)C[C@@H](NC(=O)CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O)c1ccccc1 22026219 LEQXTZZGHHKNRI-NTKDMRAZSA-N 421.497 3.120 0 40 HGAB Cc1nn(C)c2nc(C(C)C)cc(C(=O)NCc3ccccc3CN3CCOCC3)c12 22507079 AYHGWHOZDSVCPC-UHFFFAOYSA-N 421.545 3.162 0 40 HGAB Cc1nc(-c2ccccc2)cc([C@H]2CN3CC[C@H]2C[C@@H]3CNC2CCN(C)CC2)n1 22936328 MUJQNNQSCZBRDF-WWNPGLIZSA-N 405.590 3.314 0 40 HGAB biogenic,in-vitro O=S(=O)(c1ccc2c(c1)OCCO2)N1CCC[C@@H](c2nc3ccccc3o2)C1 24683567 WRDWDFRKEHNEJA-CQSZACIVSA-N 400.456 3.167 0 40 HGAB O=C(COc1cc(Cl)ccc1Cl)NCc1ccc(C(=O)N2CCOCC2)cc1 24925428 NWRIKEZBBIDWPC-UHFFFAOYSA-N 423.296 3.161 0 40 HGAB COc1ccccc1/C=c1/sc2nc(-c3ccccc3Br)nn2c1=O 26533842 JMDRHDNGMINCNM-XNTDXEJSSA-N 414.284 3.137 0 40 HGAB O=C(NCc1ccc(N2CCOCC2)nc1)c1ccccc1C(=O)c1cccs1 29980912 RZPYNVXMQKYSDN-UHFFFAOYSA-N 407.495 3.141 0 40 HGAB COc1cc(CC(=O)Nc2ccc(NC(=O)[C@H]3CCCO3)cc2)cc(OC)c1OC 30175735 LNMDWTPYNXSZLF-QGZVFWFLSA-N 414.458 3.011 0 40 HGAB COc1ccc(CNC(=O)NC[C@H](c2ccccc2Cl)N2CCOCC2)cc1 31661950 HKYBFDJAKVWGHU-HXUWFJFHSA-N 403.910 3.221 0 40 HGAB CN(C)c1ccc(-c2noc(C(=O)N3CCN(c4ccc(Cl)cc4)CC3)n2)cc1 31820852 GJNQFOIVKWNXGD-UHFFFAOYSA-N 411.893 3.418 0 40 HGAB Cc1cccc(-c2nnc(SCC(=O)Nc3c(C)cccc3C)n2CC(N)=O)c1 32741918 XCTRQTDDLGQDTA-UHFFFAOYSA-N 409.515 3.086 0 40 HGAB Cc1cc(C)cc(OCCOC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)c1 32776943 OPQDBKPMRRZJQG-QGZVFWFLSA-N 423.556 3.388 0 40 HGAB O=S(=O)(NC1CCN(Cc2ccc(Cl)cc2)CC1)c1cccc2nsnc12 32811111 KQRKESLVBRWXFM-UHFFFAOYSA-N 422.963 3.288 0 40 HGAB O=C1C[C@H]2CS(=O)(=O)C[C@@H]2N1c1nc2ccc(Oc3ccccc3)cc2s1 32912452 YGJMNRWXEAWKFR-LRDDRELGSA-N 400.481 3.239 0 40 HGAB CCOc1ccc([C@H]2[C@H](C(=O)Nc3ccccc3OC)[C@H](C)Nc3ncnn32)cc1 36701557 VWKQDISTZBJYHL-KPOBHBOGSA-N 407.474 3.344 0 40 HGAB Cc1ccc(-c2csnn2)cc1NC(=O)CCc1ccc2c(c1)n(C)c(=O)n2C 36748787 BJCVYSJDAFOCRM-UHFFFAOYSA-N 407.499 3.275 0 40 HGAB CCOC(=O)N(CC(OC)OC)[C@H](c1cccc(OC)c1)P(=O)(OC)OC 38601514 JBFXJMFNAWBGGD-INIZCTEOSA-N 405.384 3.257 0 40 HGAB in-vitro O=C(NC[C@H](c1ccccc1Cl)N1CCCC1)[C@H]1CCCN(c2cnccn2)C1 40063319 LZLJJZFGRVTUKL-FXAWDEMLSA-N 413.953 3.300 0 40 HGAB O=C(Cc1ccc(-n2cccc2)cc1)N(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 40080004 BPARLPCOKXFMCX-JOCHJYFZSA-N 408.523 3.236 0 40 HGAB C[C@]1(c2cccc(NC(=O)Cc3csc(-c4ccsc4)n3)c2)NC(=O)NC1=O 40111165 YAQIZFIXQIWYNY-LJQANCHMSA-N 412.496 3.107 0 40 HGAB Cc1cccc(NC(=O)CN2C(=O)N[C@](C)(c3cccc(C(F)(F)F)c3)C2=O)c1 40116877 MWYFKKGKFRENRT-LJQANCHMSA-N 405.376 3.420 0 40 HGAB O=C([C@@H]1CSCN1C(=O)c1ccccc1)N1CCN(c2cccc(Cl)c2)CC1 40556200 VGRHAZDOEVETTF-IBGZPJMESA-N 415.946 3.204 0 40 HGAB COc1ccc(NC(=O)[C@H]2CCCN(C(=O)Cc3ccccc3)C2)cc1NC(C)=O 45930007 SGJSHEANCRODKK-SFHVURJKSA-N 409.486 3.073 0 40 HGAB CC(C)(C)C(=O)N1CCC(C(=O)N2CCN(Cc3ccc(Cl)s3)CC2)CC1 47531280 SHDTZUWTZJIWQR-UHFFFAOYSA-N 411.999 3.330 0 40 HGAB Cc1ccc2c(c1)N(Cc1cc(F)cc(F)c1)N=C(C(=O)N1CCCC1)S2(=O)=O 49402667 WJARBZYZOCRBGX-UHFFFAOYSA-N 419.453 3.003 0 40 HGAB Cc1ccc(N([C@@H](C)C(=O)NCC(F)(F)F)S(=O)(=O)c2ccccc2)cc1 49609449 ZAQVASUQDHZFCG-AWEZNQCLSA-N 400.422 3.257 0 40 HGAB CN(C(=O)Cn1nc(-c2ccc(Br)cc2)ccc1=O)C1CCCCC1 57427391 HVGGYOVYODJQNY-UHFFFAOYSA-N 404.308 3.464 0 40 HGAB CCOc1ccc(S(=O)(=O)N2CCCC[C@H]2CNC(=O)OC(C)(C)C)cc1C 58030004 KXXAKXXRTBCWRG-INIZCTEOSA-N 412.552 3.462 0 40 HGAB O=C(CCNC(=O)c1cccc(OCc2ccc(F)cc2)c1)NCc1ccncc1 58217657 JDSYCTQQXIIAAO-UHFFFAOYSA-N 407.445 3.236 0 40 HGAB O=C(Cn1c(C(F)(F)F)nc2cc3c(cc21)OCCO3)NCCc1ccccc1 64814459 IUHQXDIIQRYPQT-UHFFFAOYSA-N 405.376 3.185 0 40 HGAB CCc1cccc(C)c1NC(=O)Cn1nc2cc(-c3ccccc3)nc(C)n2c1=O 67226667 JKYWLGOAXANIKM-UHFFFAOYSA-N 401.470 3.376 0 40 HGAB COc1ccc(Cl)cc1S(=O)(=O)c1cnc(N(C)Cc2ccccc2)nc1N 67336224 OTEOKCMSFDGFAK-UHFFFAOYSA-N 418.906 3.190 0 40 HGAB CCN(CC)[C@@H](CNC(=O)[C@@H]1CCCN1C(=O)CC(C)(C)C)Cc1ccccc1 69491400 FSIIREQSOCKLCF-RTWAWAEBSA-N 401.595 3.483 0 40 HGAB CCOc1ccc(S(=O)(=O)NC[C@H](O)c2ccc(C(F)(F)F)cc2)cc1F 70640149 KCEWYOXYSZKJBG-HNNXBMFYSA-N 407.385 3.255 0 40 HGAB COc1ccc(CCNCc2cc(-c3ccc(F)cc3)cn3nnnc23)cc1OC 72392347 XJFCLJDYTHVHFK-UHFFFAOYSA-N 407.449 3.280 0 40 HGAB CC(C)OC(=O)c1ccc(NC(=O)[C@@H](C)N2CC[C@H](CN3CCCCC3)C2)cc1 78950279 RCMRYSJGVGIADW-RTBURBONSA-N 401.551 3.387 0 40 HGAB CCn1nc(C)c(S(=O)(=O)/N=c2\[nH]cccc2O[C@@H](C)c2ccccc2)c1C 83836741 MSVNMDZNOSAWSI-INIZCTEOSA-N 400.504 3.278 0 40 HGAB Cc1cnc(CNC(=O)c2cc(-c3cnc(-c4cccc(F)c4)nc3)cn2C)cn1 96147651 BKMLQFPQKJQRRJ-UHFFFAOYSA-N 402.433 3.317 0 40 HGAB COc1ccc(-c2cc(N3CCN(C(=O)c4ccc(OC)cc4OC)CC3)[nH]n2)cc1 98212517 IPEUBYOATUEUPF-UHFFFAOYSA-N 422.485 3.065 0 40 HGAB CCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)sc2cc(Cl)ccc21 100821118 XVAQQONKSLIYLL-ZZEZOPTASA-N 423.947 3.368 0 40 HGAB CC(=O)c1ccc(NC(=O)[C@H]2CC[C@H](Cn3nnc4ccccc4c3=O)CC2)cc1 101513831 LAXPJJOEUPOSFE-MAEOIBBWSA-N 404.470 3.439 0 40 HGAB O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)Nc1cc(Cl)ccc1N1CCCCC1 102966823 MVTATMKDPPDTQH-HOTGVXAUSA-N 403.910 3.444 0 40 HGAB Cc1cccc(C)c1N1C(=O)C[C@H](N2CCN(C/C=C/c3ccccc3)CC2)C1=O 103292530 AMQCHNLLSPFTRQ-CGIBVWHJSA-N 403.526 3.266 0 40 HGAB CCc1ccc(N([C@H](C)C(=O)Nc2cc(OC)ccc2OC)S(C)(=O)=O)cc1 220264618 OAVMSRDQBXDFBH-CQSZACIVSA-N 406.504 3.059 0 40 HGAB CC[C@H](C(=O)N[C@H](C)COc1ccccc1C)N(c1ccccc1F)S(C)(=O)=O 220605569 YOHHQOSMNGDNBD-SJLPKXTDSA-N 422.522 3.262 0 40 HGAB C[C@H](C(=O)NCc1ccc2ccccc2c1)N(c1ccccc1F)S(C)(=O)=O 222806660 QMGUBWQUGBSMQV-OAHLLOKOSA-N 400.475 3.450 0 40 HGAB COc1ccc(S(=O)(=O)Nc2ccc(N3CCCC3)cc2)cc1C(=O)NC(C)C 224918707 WCZITWANSVGRKZ-UHFFFAOYSA-N 417.531 3.234 0 40 HGAB Cc1cccc(C(=O)N/C(=C\c2ccco2)C(=O)NCc2ccc3c(c2)OCO3)c1 224969294 RWPRXPKTMLBHJS-UNOMPAQXSA-N 404.422 3.404 0 40 HGAB CCCn1c(=O)sc2cc(S(=O)(=O)Nc3cc(C(=O)OC)ccc3C)ccc21 225724385 CACSBRYSTYIKAZ-UHFFFAOYSA-N 420.512 3.369 0 40 HGAB O=C(Cc1ccccc1Cl)N1CCC(N2CC(=O)N(c3ccccc3)C2=O)CC1 225820133 SBLRTWSFFOOUAY-UHFFFAOYSA-N 411.889 3.342 0 40 HGAB Cc1cc(=O)[nH]c(-c2cccc(NC(=O)c3cn4c5c(cccc5c3=O)CCC4)c2)n1 226093626 AHEIDXRYWXTNLC-UHFFFAOYSA-N 412.449 3.259 0 40 HGAB C[C@]12CC[C@@](O)(CN3CC3)C[C@@H]1CC[C@H]1[C@H]2CC[C@]2(C)[C@@H]1CC[C@@]2(O)CN1CC1 253530042 KDZDNXAVYMXPKT-DJOJIIQUSA-N 402.623 3.123 0 40 HGAB Cc1ncc(-c2nccnc2[C@H]2CCCN(C(=O)c3ccc4[nH]cnc4c3)C2)n1C 257211301 BYJXLERGEGBNFF-INIZCTEOSA-N 401.474 3.082 0 40 HGAB Cc1nc([C@H]2CCN(C(=O)CC(C)C)C2)nc2c1CC(=O)N2CCc1ccccc1F 257320246 VVXRMHOOZKIJSH-SFHVURJKSA-N 424.520 3.418 0 40 HGAB COc1cccc2c1[C@H]1[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3[C@H]2N1C(=O)C(C)(C)C 261828241 HUGYJIJSUVBLPZ-ZRNYENFQSA-N 404.466 3.485 0 40 HGAB COc1ccc(CN2CCO[C@@H](c3nnn4cc(-c5cccnc5)ccc34)C2)cc1 306132291 LEDRTGNMMDOVNX-JOCHJYFZSA-N 401.470 3.373 0 40 HGAB Cc1ccccc1C(=O)N1CCC2(CC1)CN(C)Cc1nnc(-c3cccs3)n12 306142619 XENWPBLXQYOIFV-UHFFFAOYSA-N 407.543 3.392 0 40 HGAB CCN(CC)C(=O)C(=O)c1cn(CC(=O)N2CCc3ccccc32)c2ccccc12 408576715 YDOMPKIIYGNLGY-UHFFFAOYSA-N 403.482 3.282 0 40 HGAB Cc1cc(Cl)ccc1NC(=O)[C@@H](C)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 408704150 KIAQOGDDTLPFKU-CYBMUJFWSA-N 424.906 3.213 0 40 HGAB COc1cccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccc(C)cc3)[C@H]2c2ccccc2)c1 409056028 DOWRTWURRWOJRY-WFZBXURCSA-O 414.485 3.020 0 40 HGAB O=C(O)COc1ccc(Br)cc1/C=C1\NC(=O)N(C2CCCCC2)C1=O 409079079 JPTURSAAUXFJDV-ZROIWOOFSA-N 423.263 3.138 0 40 HGAB COCCNC(=O)CN1C(=O)S/C(=C\c2ccc(-c3cccc(Cl)c3)o2)C1=O 409201467 NHDMHIXITXBEDU-YBEGLDIGSA-N 420.874 3.399 0 40 HGAB O=C(Cc1ccccn1)N[C@@H]1CC2(CCN(c3ncccn3)CC2)Oc2ccccc21 585105952 VWPNAVBIZWIHCU-HXUWFJFHSA-N 415.497 3.093 0 40 HGAB O=C(NC[C@](O)(c1ccsc1)c1ccco1)C(=O)Nc1ccccc1C(F)(F)F 585147583 ZQMPRQAJIGDSBA-SFHVURJKSA-N 424.400 3.351 0 40 HGAB Cc1nc(Nc2nc(C)c(C)s2)cc([C@H]2CCCN(C(=O)/C=C/CN(C)C)C2)n1 585292976 VFBYWAOFRNUGPF-LKUPDRCFSA-N 414.579 3.426 0 40 HGAB Cc1ccc(C(=O)N2CCCCN(C)C(=O)c3cc(Cl)ccc3OCC2)cn1 643556009 CZMCRJVBOTXHDB-UHFFFAOYSA-N 401.894 3.430 0 40 HGAB Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)N=c4cc[nH]cc4N(C)C)cc3C2=O)c1 681357495 CERFRLPEOQUVCE-UHFFFAOYSA-N 414.465 3.239 0 40 HGAB COC(=O)c1sc(S(=O)(=O)Nc2ccccc2Cl)c(C(=O)OC)c1C 730163 VNTSWXVTURTEMJ-UHFFFAOYSA-N 403.865 3.084 0 40 HGAB CCOC(=O)c1nnn([C@H](CC)C(=O)Nc2cc(Cl)ccc2C)c1C(=O)OCC 2686860 BFBYVUAUTHMSRN-CQSZACIVSA-N 422.869 3.183 0 40 HGAB COc1cc(OC)c(C(=O)O[C@H](C)C(=O)Nc2ccc(C(C)=O)cc2)cc1OC 3240357 PZLCCYVSVZZNQC-CYBMUJFWSA-N 401.415 3.099 0 40 HGAB COc1ccc(C)cc1-n1nnnc1SCc1nc2sc(C)c(C)c2c(=O)[nH]1 4829711 AFESBENJRUPRSR-UHFFFAOYSA-N 414.516 3.186 0 40 HGAB CCc1ccc(CN(C(=O)COc2cccc(C)c2)[C@@H]2CCS(=O)(=O)C2)cc1 5085302 MKAJETBRIUZIHR-HXUWFJFHSA-N 401.528 3.152 0 40 HGAB COc1cc(NC(=O)CSc2nnc3ccc(-c4ccco4)nn23)cc(OC)c1 5168215 BKXCUWHRQWJBCB-UHFFFAOYSA-N 411.443 3.132 0 40 HGAB Cn1nc(C(=O)OCC(=O)Nc2ccc(Cl)cc2Cl)c2ccccc2c1=O 5416453 JDRJMHDYIJJQQG-UHFFFAOYSA-N 406.225 3.036 0 40 HGAB O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Oc1ccccc1)C1CCC1 5511631 HXRIPYBHEAKLDE-UHFFFAOYSA-N 416.499 3.238 0 40 HGAB COc1cccc(N(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3)S(=O)(=O)c2ccccc2)c1 6848000 VYFWLYKXCWPBJH-CSODHUTKSA-N 414.527 3.195 0 40 HGAB COc1cc(C)c(CN(C)CC(=O)Nc2cc3c(cc2C(C)=O)OCO3)cc1OC 7454116 XBWDNOMXEQJQIS-UHFFFAOYSA-N 414.458 3.014 0 40 HGAB C[C@H](OC(=O)c1cc(C2CC2)nn1-c1ccccc1)C(=O)NC(=O)NC1CCCC1 7877457 RTJXJNJNJNBVDP-AWEZNQCLSA-N 410.474 3.063 0 40 HGAB COc1ccccc1[C@@H](C)NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1C 9455023 FTPGHCUTALOSTM-MRXNPFEDSA-N 402.516 3.279 0 40 HGAB Cc1ccc(CCC(=O)N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)cc1 10708446 QPTZCCJGVLPGAC-UHFFFAOYSA-N 400.544 3.078 0 40 HGAB Cc1cc(C)c2sc(NC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)nc2n1 11666335 LTODJPDNXCPZCX-UHFFFAOYSA-N 416.528 3.345 0 40 HGAB O=C(CSc1ncnc2c1nnn2-c1cccc(Cl)c1)NCCc1ccccc1 11758639 SKAOEIJXDQAGNF-UHFFFAOYSA-N 424.917 3.315 0 40 HGAB CCOc1c(Cl)cc(CN2CCc3c(N)nc(N4CCCC4)nc3C2)cc1OC 12222177 LSJOLGRPGGWEBV-UHFFFAOYSA-N 417.941 3.278 0 40 HGAB COc1ccc(S(=O)(=O)NCc2ccc(C(=O)Nc3ccc(O)cc3)cc2)cc1 12321321 MZTMZCSZSBQMDB-UHFFFAOYSA-N 412.467 3.132 0 40 HGAB C[C@@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)N1CCN(C(=O)[C@H]2CCCO2)CC1 12734767 XVJWULFPKVWARA-PGRDOPGGSA-N 423.513 3.129 0 40 HGAB Cc1ccnc2nc(C(=O)O[C@@H](C)C(=O)Nc3ccc(Oc4ccccc4)cc3)nn12 12804180 ZAZSLMSBVCSXPJ-HNNXBMFYSA-N 417.425 3.409 0 40 HGAB NC(=O)Cn1c(CSCc2ccccc2C(F)(F)F)nc2ccccc2c1=O 12976024 WXHIHWDTSGGOFU-UHFFFAOYSA-N 407.417 3.334 0 40 HGAB CC(=O)c1ccc(N2CCN(C(=O)[C@@H](NC(=O)c3ccc(C)cc3)C(C)C)CC2)cc1 13070569 MEKVBPYBOSNBFR-QHCPKHFHSA-N 421.541 3.301 0 40 HGAB Cc1cc(=O)n2ncc(C(=O)N3C[C@H]4C5c6ccccc6C(c6ccccc65)[C@H]4C3)c2[nH]1 13566635 PCBUXHUMZDJTSD-MNZGCLKASA-N 422.488 3.310 0 40 HGAB O=C(Nc1cccnc1)C1CCC(CNS(=O)(=O)c2ccc(Cl)cc2)CC1 13683887 PRCVVZZANRVHOA-UHFFFAOYSA-N 407.923 3.458 0 40 HGAB O=S(=O)(c1cccc(Br)c1)N1CCC[C@H]1c1nnc2ccccn12 14187706 DHXWXGTZRFSFOZ-AWEZNQCLSA-N 407.293 3.018 0 40 HGAB Cc1nc2nc(N)nn2c(C)c1CCC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl 14200195 USCSBVJIAMXLEE-JTQLQIEISA-N 407.305 3.440 0 40 HGAB CCCc1cc(=O)[nH]c(SCc2nc3sc4c(c3c(=O)[nH]2)CC[C@H](C)C4)n1 15587240 GYBQKVAIPIYUTD-JTQLQIEISA-N 402.545 3.438 0 40 HGAB O=C(OCC(=O)N1CCC(Cc2ccccc2)CC1)c1cc(=O)[nH]c2ccccc12 15879755 HLAJAFITBNBTRV-UHFFFAOYSA-N 404.466 3.166 0 40 HGAB COc1ccc(NC(=O)CCc2nc(-c3ccc(OC)c(OC)c3)no2)c(OC)c1 16635694 MVRSUIVRECAGLS-UHFFFAOYSA-N 413.430 3.342 0 40 HGAB COC(=O)c1cc(C2CC2)nc2c1c(-c1cccs1)nn2[C@@H]1CCS(=O)(=O)C1 16850700 QDQYLSUVCIACOC-GFCCVEGCSA-N 417.512 3.183 0 40 HGAB COC(=O)Cn1/c(=N/C(=O)CCSc2ccccc2)sc2cc(OC)ccc21 16960186 FQBGBJOCYOHZEM-MRCUWXFGSA-N 416.524 3.494 0 40 HGAB C[C@@]1(C(=O)NC2CCN(Cc3cccnc3)CC2)CC(c2ccccc2Cl)=NO1 19460861 FHUNESBEZKITGA-QFIPXVFZSA-N 412.921 3.399 0 40 HGAB CN(C)C(=O)[C@@]1(Cc2ccc(-c3ccsc3)cc2)CCN(C(=O)c2cc[nH]n2)C1 19580072 TVZRKLVAKJMGAD-JOCHJYFZSA-N 408.527 3.301 0 40 HGAB CNC(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)CN(C(=O)C2CCCCC2)CCO1 19591797 LPEQEXOVMFMHBT-VWLOTQADSA-N 421.541 3.215 0 40 HGAB Cc1nn(C)cc1C(=O)N1CCC[C@H]1c1nc(N(C)C)ncc1-c1ccc(F)cc1 19689511 FJXAWLYLWUJGII-IBGZPJMESA-N 408.481 3.368 0 40 HGAB Cc1c(-c2ccnc3cc(C(=O)N[C@H](C)COc4ccc(Cl)cc4)nn23)cnn1C 19719017 XHWADUCVAXNDQA-CYBMUJFWSA-N 424.892 3.289 0 40 HGAB COCCC(=O)N1CCC(c2nc(C)c3c(n2)N(Cc2ccccc2)C(=O)CC3)CC1 19739411 ZLXKFXYQAQNSJT-UHFFFAOYSA-N 422.529 3.007 0 40 HGAB O=C(CN1c2ccc(F)cc2-c2ccccc2S1(=O)=O)NCc1ccc(F)cc1 20046935 PQZLXENVQBLXMU-UHFFFAOYSA-N 414.433 3.457 0 40 HGAB Cc1ccc(CCCNC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)cc1 20495348 PFYNZWJIEOVALC-UHFFFAOYSA-N 406.573 3.206 0 40 HGAB CN(C(=O)[C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1)C1CCCCC1 22517654 HGRXIZOSJYCITR-FQEVSTJZSA-N 406.592 3.452 0 40 HGAB Cc1ccc(CS(=O)(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)cc1 22521672 GFJWGOPTWXRJOZ-UHFFFAOYSA-N 417.512 3.133 0 40 HGAB O=C1C[C@H](C(=O)N2CCN(Cc3cccs3)CC2)CN1Cc1ccccc1Cl 23735588 LGEDUQSSZGYYFU-KRWDZBQOSA-N 417.962 3.094 0 40 HGAB CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)COc2cc(C(C)C)ccc2C)C1=O 23953580 LJAROKRUMFOUJI-HSZRJFAPSA-N 409.486 3.386 0 40 HGAB Cc1cc(C)c(C(=O)CSc2nnc(CCC(N)=O)n2Cc2ccco2)c(C)c1 24833006 AGLKHIBQKLHRGL-UHFFFAOYSA-N 412.515 3.238 0 40 HGAB CCOC(=O)c1ccc(N2N=C(C)[C@@]3(Cc4ccccc4N4CCOC[C@@H]43)C2=O)cc1 25184867 UNEZAJXSLXBYFR-ZJSXRUAMSA-N 419.481 3.034 0 40 HGAB Cc1ccc(CS(=O)(=O)c2nnc(NC(=O)COc3ccccc3C)s2)cc1 27664390 LYCCHFLRIGJNIH-UHFFFAOYSA-N 417.512 3.146 0 40 HGAB COc1cccc(NC(=O)c2ccn(Cn3nc(C)c(Br)c3C)n2)c1 28229412 NDFWCRIIWOCEHS-UHFFFAOYSA-N 404.268 3.226 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)Cc2ccc3c(c2)CCCC3)c1 28697517 LTDHPRAYPIROJJ-UHFFFAOYSA-N 416.543 3.483 0 40 HGAB Cc1ccc(CNC(=O)CN2CCCN(c3ccc(C(F)(F)F)cn3)CC2)cc1F 29118922 NUNPAGMPPJXWPT-UHFFFAOYSA-N 424.442 3.376 0 40 HGAB CCCC[C@@H](CC)CNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(OC)cc2)C1 29708431 XQKBUAMBBOHLHX-MSOLQXFVSA-N 410.580 3.429 0 40 HGAB CCCC[C@H](CC)CNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(OC)cc2)C1 29708437 XQKBUAMBBOHLHX-ROUUACIJSA-N 410.580 3.429 0 40 HGAB CC(=O)N(c1ccccc1)c1nc(COC(=O)c2cccc(-n3cnnn3)c2)cs1 32708013 ZURAMUIQNZRWAD-UHFFFAOYSA-N 420.454 3.160 0 40 HGAB C[C@@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)N(C)Cc1ccsc1 32748207 BXKHWSQZUVIOTC-SNVBAGLBSA-N 407.344 3.380 0 40 HGAB COc1cn(-c2cccc(C(F)(F)F)c2)nc1C(=O)O[C@@H](C)C(=O)NC(C)(C)C 32899335 UINLFLPRLDJHOQ-NSHDSACASA-N 413.396 3.360 0 40 HGAB COc1ccccc1-c1nc(Cn2nnc(C(=O)Nc3ccccc3F)c2N)c(C)o1 33291702 JEFASXHKPLHXML-UHFFFAOYSA-N 422.420 3.272 0 40 HGAB COc1ccc2cc(/C=C3/N=C(c4ccccc4)OC3=O)c(N3CCOCC3)nc2c1 33314486 IWIXDONBQGNBAO-KGENOOAVSA-N 415.449 3.425 0 40 HGAB CC[C@H](c1nnnn1C[C@@H]1CCCO1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 35291353 FCIIEWZFPQAIIV-ZWKOTPCHSA-N 424.471 3.144 0 40 HGAB COc1c([C@H]2CC(=O)Nc3c2ncn3-c2ccc(F)cc2)cc2c(c1OC)OCO2 35324411 GKMNWNBJJPDSIF-CYBMUJFWSA-N 411.389 3.231 0 40 HGAB O=S(=O)(NCCCCN1CCO[C@@H](c2ccccc2)C1)c1cccc(Cl)c1 36700356 BEFPHUNPSZOGNT-HXUWFJFHSA-N 408.951 3.472 0 40 HGAB CCN1C(=O)/C(=C/c2cn(CC(=O)N3CCCCCC3)c3ccccc23)N(C)C1=S 39556315 JKHSXEVIJTUHJC-ZHZULCJRSA-N 424.570 3.464 0 40 HGAB Cn1c(=O)n(CC(=O)Nc2ccc(-n3ccnc3)cc2C(F)(F)F)c2ccccc21 40134813 FNXJDDLUNMSPDS-UHFFFAOYSA-N 415.375 3.183 0 40 HGAB COc1ccc([C@H](C)NC(=O)[C@H](C)N(c2cc(C)ccc2C)S(C)(=O)=O)cc1 44883235 OQVVTYVCCDKLPO-IRXDYDNUSA-N 404.532 3.344 0 40 HGAB COc1cccc(CNC(=O)c2nnn(-c3ccc(Br)cc3)c2C)c1 51317975 OPOJJDRKIPPNPJ-UHFFFAOYSA-N 401.264 3.277 0 40 HGAB CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)CCCCCNC(C)=O 53355218 GQPQMTHYKYBFLP-UHFFFAOYSA-N 402.322 3.477 0 40 HGAB COc1ccccc1N1CCN(CC(=O)N2CCc3[nH]c4ccc(C)cc4c3C2)CC1 57054245 YSOZHKPCVSYZOI-UHFFFAOYSA-N 418.541 3.192 0 40 HGAB Cc1ccccc1C(=O)Nc1ccccc1-c1nnn(CC(=O)NC2CCCCC2)n1 57613777 PHRUDSIILAHPBW-UHFFFAOYSA-N 418.501 3.350 0 40 HGAB C[C@H]1CN(c2ccc(NC(=O)NCc3cccnc3-n3cccn3)cc2F)C[C@@H](C)O1 58342855 INFCJSMNEWQGBL-IYBDPMFKSA-N 424.480 3.342 0 40 HGAB C[C@@H](NC(=O)c1cnn2c(-c3ccccc3)ccnc12)c1ccc(S(C)(=O)=O)cc1 58378087 UAJGRYWROBSGKL-OAHLLOKOSA-N 420.494 3.291 0 40 HGAB C[C@@H](Oc1ccc(C(=O)N[C@H]2CCCN(c3ncccn3)C2)cn1)c1ccccc1 65587921 AGTVNXXYQFUDHS-XLIONFOSSA-N 403.486 3.410 0 40 HGAB Cc1ccc(-c2cc3c(=O)n(CCC(=O)NCc4ccccc4)ccn3n2)cc1C 67260847 XHDWNSCGTQSULS-UHFFFAOYSA-N 400.482 3.486 0 40 HGAB COc1cccc(-c2noc([C@@H](C)NC(=O)C3CCN(C(=O)c4ccoc4)CC3)n2)c1 72303553 VXIOWNLMOGWCTP-CQSZACIVSA-N 424.457 3.068 0 40 HGAB CC1=C[C@@H](CNC(=O)Cn2cnnn2)[C@H](C(C)C)C[C@H]1Cc1nc2ccc(C)cc2[nH]1 72320855 WNDYYSHGKUWQHF-FHWLQOOXSA-N 421.549 3.071 0 40 HGAB biogenic,in-vitro O=C(Cc1ccc(F)cc1)Nc1cc(N2CCN(Cc3ccccc3)CC2)ncn1 77200554 GYZPLNSFUUVVLJ-UHFFFAOYSA-N 405.477 3.119 0 40 HGAB CC(C)C[C@H](CNC(=O)OC(C)(C)C)C(=O)N(C)Cc1nc2ccccc2c(=O)[nH]1 79056658 GZVYUSOGODPENO-OAHLLOKOSA-N 416.522 3.069 0 40 HGAB Cc1cc(NC(=O)[C@@H](C)SCC(=O)N(Cc2cccs2)C[C@@H]2CCCO2)no1 84119763 VQDANHOWVDNWEJ-CABCVRRESA-N 423.560 3.313 0 40 HGAB CC(C)[C@@H](CN(Cc1ccc(Cl)c(Cl)c1)c1ccc2nnnn2n1)N(C)C 84410242 DDSVCKRCVJBJII-MRXNPFEDSA-N 408.337 3.419 0 40 HGAB C[C@@H](NC(=O)CN1CC[C@H](OCc2ccccn2)C1)c1ccc(Br)cc1 84651512 XLSVBPMETYPGAH-BEFAXECRSA-N 418.335 3.312 0 40 HGAB O=C(COc1ccc(Cl)cc1Cl)NCCNc1cc(-n2cccc2)ncn1 90607803 CFBBWSIAHQBVCY-UHFFFAOYSA-N 406.273 3.181 0 40 HGAB CN(C)CCNC(=O)C[C@@H]1CC2(CCN(Cc3cccnc3)CC2)c2ccccc21 96052879 WZGLVEQHSVYAOB-OAQYLSRUSA-N 406.574 3.171 0 40 HGAB O=C(NC[C@H]1O[C@H](Cc2cc(-c3ccccc3)on2)CC[C@@H]1O)c1ccc(F)cc1 96268977 IWTRKSNGYLJYMQ-JAXLGGSGSA-N 410.445 3.362 0 40 HGAB biogenic,in-vitro Cc1ccc(C(=O)Nc2cccc(/C=c3\s/c(=C/C(=O)C(C)(C)C)[nH]c3=O)c2)cc1 105740423 IWWHDGSXSKLBCU-GRDMYJHDSA-N 420.534 3.222 0 40 HGAB COC[C@H](C)NC(=O)/C(=C/c1c[nH]c2ccc(OC)cc12)NC(=O)c1ccccc1 215700225 YVQOYUQCUBBWOZ-SYZMQFJCSA-N 407.470 3.099 0 40 HGAB Cc1cc(C(=O)NCCCN2CCCC2)ccc1N(C)S(=O)(=O)c1ccccc1 224197717 FCJNIAQFJHMMAQ-UHFFFAOYSA-N 415.559 3.036 0 40 HGAB COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3cccnc3)cc2C)cc1 224223959 KZRIXJYJWMLASU-UHFFFAOYSA-N 411.483 3.476 0 40 HGAB CCc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2ccc(N(C)S(C)(=O)=O)cc2)cc1 224691620 SPLQXLKYBVVKHL-HZPDHXFCSA-N 404.532 3.290 0 40 HGAB O=C(Cc1cccc(Br)c1)NCc1ccccc1CN1CCOCC1 225623014 PUTCCGLQMWNFRK-UHFFFAOYSA-N 403.320 3.140 0 40 HGAB Cc1cccc(N(CN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@@H]45)[C@H]3C2=O)C(=O)C(F)(F)F)c1C 226401225 PNWHRTXUMWLGCL-QHNADIDASA-N 418.415 3.209 0 40 HGAB O=C(OCc1ccccc1)N1C[C@H](O)[C@@H](N(Cc2ccccc2)CC(F)(F)F)C1 257343121 ZRNTYOPRLGTQTG-OALUTQOASA-N 408.420 3.433 0 40 HGAB CCCN1C(=O)N/C(=C/c2ccc(OCC(=O)Nc3ccc(C)cc3)c(OC)c2)C1=O 409234177 MYEMZLFZHDTCAQ-LDADJPATSA-N 423.469 3.324 0 40 HGAB Cc1csc(-c2cccc(NC(=O)C(=O)N3CCC(c4cnn(C)c4)CC3)c2)n1 527174000 PFVLMUCLCWGQQX-UHFFFAOYSA-N 409.515 3.197 0 40 HGAB CN1CCOc2ccccc2CCCCC2(CCN(C(=O)c3ccnc(N)c3)CC2)C1 643574020 XNNXQPCWEMVGAD-UHFFFAOYSA-N 422.573 3.623 0 40 HGAB COc1cc(Br)cc(CNS(=O)(=O)c2cnn(C3CCCC3)c2)c1 1622540038 BMMMRQGKNDHITE-UHFFFAOYSA-N 414.325 3.248 0 40 HGAB Brc1cnccc1O[C@@H]1CCN(c2nccn3nc(C4CC4)cc23)C1 1888890196 FOYINBOBSFRKJT-CYBMUJFWSA-N 400.280 3.422 0 40 HGAB Cc1ccn(-c2ccc(N3CCN(Cc4cccc(Br)c4)CC3)nn2)n1 1889201654 HSLKWVMPMTWTNI-UHFFFAOYSA-N 413.323 3.055 0 40 HGAB O=C(CN1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)Nc1ccccc1O 990746 NCHYGUASUCAENU-SNDHGLFQSA-N 424.456 3.223 0 40 HGAB COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)N4CCCCC4)nc3n2)cc1 1104422 BKPCHPIBHSCQPO-UHFFFAOYSA-N 405.380 3.445 0 40 HGAB COc1cc(C(=O)N[C@H](C(=O)Nc2ccccc2C)C(C)C)cc(OC)c1OC 3481341 LRPDMGFGVOMAST-IBGZPJMESA-N 400.475 3.414 0 40 HGAB O=C(COc1ccc(C(=O)O[C@H]2CCOC2=O)cc1)Nc1cccc(C(F)(F)F)c1 3500626 JUTNTBOHPYZXKS-INIZCTEOSA-N 423.343 3.195 0 40 HGAB CN(Cc1ccccc1)C(=O)CN1C(=O)N[C@](C)(c2ccc(Cl)cc2Cl)C1=O 3595125 CBXXREMZUSCAOA-HXUWFJFHSA-N 420.296 3.419 0 40 HGAB CCCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3OC)=C(C)Nc3nnnn32)cc1 4070679 BIAGTKYEUCIUHZ-HXUWFJFHSA-N 420.473 3.398 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)COc2cccc(C)c2)c1 4070976 NXOUGUXONUONKM-UHFFFAOYSA-N 406.504 3.052 0 40 HGAB Cc1ccc(-n2c(N)cc(=O)nc2SCC(=O)N2CCCc3ccccc32)cc1 4271825 ZSIALEOZTNQKSH-UHFFFAOYSA-N 406.511 3.195 0 40 HGAB COc1ccc(OC)c(NC(=O)CN2CCC(n3nnc4cc(C)ccc43)CC2)c1 4895326 MSICWLDKAADQMZ-UHFFFAOYSA-N 409.490 3.033 0 40 HGAB COC(=O)C1=CN(C[C@@H]2CCCO2)C=C(C(=O)OC)C1c1ccc(OC)c(Cl)c1 4986990 PTWHFCKXAUHQFO-AWEZNQCLSA-N 421.877 3.041 0 40 HGAB CCN(CC)S(=O)(=O)c1cc(NS(=O)(=O)c2ccc(C)cc2)ccc1Cl 5121082 SMQKWMUHMDVTTF-UHFFFAOYSA-N 416.952 3.480 0 40 HGAB CCOc1ccc(-c2nnc(SCC(=O)N(C)Cc3ccccc3C)n2N)cc1 5218586 QSNMVYDNMWBAPQ-UHFFFAOYSA-N 411.531 3.117 0 40 HGAB COC(=O)c1ccc(/C=C/C(=O)N(C)CC(=O)Nc2ccc(F)c(F)c2F)cc1 6083353 LOPGAEBASQCOAI-BJMVGYQFSA-N 406.360 3.001 0 40 HGAB Cc1ccc(S(=O)(=O)Nc2ccc(NC(=S)NC[C@@H]3CCCO3)cc2)cc1 6502366 PHWBGJDASHCXBY-KRWDZBQOSA-N 405.545 3.261 0 40 HGAB COc1ccc(NC(=O)CN(C)CC(=O)Nc2c(C)nn(-c3ccccc3)c2C)cc1 6589726 RKHAJEIDHNDGNZ-UHFFFAOYSA-N 421.501 3.007 0 40 HGAB O=C(c1ccc(OCc2cn3ccccc3n2)cc1)N1CCN(c2ccncc2)CC1 8185991 KXQBXTHDQYBFDQ-UHFFFAOYSA-N 413.481 3.271 0 40 HGAB CN(C)C1(CNC(=O)C[C@@H](c2cnc3ccccc3n2)n2ccnc2)CCCCC1 8216651 UHENULNGIGUVNN-NRFANRHFSA-N 406.534 3.187 0 40 HGAB O=C(CCCc1c[nH]c2ccccc12)N1CCN(S(=O)(=O)c2ccccc2)CC1 8379630 LHHVWCUFTYUPRN-UHFFFAOYSA-N 411.527 3.024 0 40 HGAB CCOC(=O)C1=C(COC(=O)CCC2CCCC2)NC(=O)N[C@@H]1c1cccs1 8754151 TWGMMEOKVVNQOS-GOSISDBHSA-N 406.504 3.433 0 40 HGAB O=C(CN1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1)NCCC1=CCCCC1 8883386 PVUAEJUYYZGLLZ-UHFFFAOYSA-N 413.518 3.073 0 40 HGAB CCC1=Nc2ccccc2N=C(NC(=O)CSc2nnnn2C)[C@@H]1c1ccccc1 9196256 PPQVFFHYOKVFLN-LJQANCHMSA-N 419.514 3.429 0 40 HGAB O=C(Cn1cnc2c(nnn2Cc2ccc(Cl)cc2)c1=O)c1ccc(Cl)cc1 9278148 ZXHBGSYEFBWDBS-UHFFFAOYSA-N 414.252 3.226 0 40 HGAB Cn1cccc1Cc1nnc(SCC(=O)NCc2ccco2)n1Cc1ccccc1 9412913 ZKKYWRHXDWUCEE-UHFFFAOYSA-N 421.526 3.257 0 40 HGAB CC(C)(C)n1nnnc1S[C@H]1CCCCN(C(=O)c2ccc(Cl)cc2)C1=O 9465531 PAZAPKGGPUTKDN-AWEZNQCLSA-N 407.927 3.395 0 40 HGAB O=C(COc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)Nc1ccccc1 9601263 NFYQROMAIFABJS-UHFFFAOYSA-N 410.495 3.225 0 40 HGAB COc1cc(CSc2ncc(CO)n2Cc2ccc3c(c2)OCO3)cc(OC)c1 9650427 WCQXFHFXRZGRLJ-UHFFFAOYSA-N 414.483 3.462 0 40 HGAB Cc1ccc(-n2c(-c3ccc(F)cc3)cn3c4c(=O)n(C)c(=O)n(C)c4nc23)cc1C 9975152 GHDWZCLHNPMBKL-UHFFFAOYSA-N 417.444 3.099 0 40 HGAB C[C@@H]1c2ccsc2CCN1C(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1 10697071 SBNWBNUJVIKGIR-CQSZACIVSA-N 422.547 3.434 0 40 HGAB COc1ccc(CCNC(=O)CSc2ccc(NC(=O)c3ccccc3)nn2)cc1 11737861 JQKDYPZXKYTBTL-UHFFFAOYSA-N 422.510 3.189 0 40 HGAB O=C(CCCSc1ccc(NC(=O)c2cccs2)nn1)NCc1ccncc1 11794131 ICCVCDPOKORFOE-UHFFFAOYSA-N 413.528 3.374 0 40 HGAB CC(C)n1c(=O)oc2cc(S(=O)(=O)N3CCCCC[C@@H]3c3ccn(C)n3)ccc21 12159581 SIKHARMFPHYEKX-QGZVFWFLSA-N 418.519 3.215 0 40 HGAB CC(C)[C@@H](Cn1nc(-c2cccs2)ccc1=O)NC(=O)Cn1cnc2ccccc21 12220314 QEKXGSOKRCXTLC-GOSISDBHSA-N 421.526 3.163 0 40 HGAB COC(=O)c1sc(S(=O)(=O)Nc2ccc(SC)cc2)c(C(=O)OC)c1C 12507844 WNMXVIZBAZJYOU-UHFFFAOYSA-N 415.514 3.152 0 40 HGAB CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3C[C@H](C)O[C@H](C)C3)cc2)cc1 12521445 XLQZUEPAGGTNPJ-IYBDPMFKSA-N 418.515 3.136 0 40 HGAB COc1cccc(CN(C)CC(=O)N2c3ccccc3NC(=O)C[C@H]2C(F)(F)F)c1 12748404 WFBGYNFJGUFELI-SFHVURJKSA-N 421.419 3.433 0 40 HGAB CCOC(=O)c1ccsc1NC(=O)Cn1cnc2sc3c(c2c1=O)CCCC3 12797215 OLNNKIJAKVUZFF-UHFFFAOYSA-N 417.512 3.214 0 40 HGAB CC(=O)NC12C[C@H]3C[C@@H](C1)CC(C(=O)O[C@H](C)C(=O)Nc1ccc(F)cc1)(C3)C2 12863362 XWWQJLJJTKUDNA-CLKFMRDTSA-N 402.466 3.171 0 40 HGAB O=C([C@@H]1COc2ccccc2O1)N1CCN(CCSc2ccc(Cl)cc2)CC1 13069917 SQZKZDCMSVQOSA-FQEVSTJZSA-N 418.946 3.416 0 40 HGAB COC(=O)c1ccc(OC)cc1OC(=O)c1cccc(I)c1 13141585 UNFAJZQXWSDJBF-UHFFFAOYSA-N 412.179 3.306 0 40 HGAB COc1cccc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)N[C@@H](C)CCCC(C)C)[C@@H]4C2=O)c1 13606826 ZYQVPVZYFQKFEK-MRMMCVKFSA-N 412.530 3.313 0 40 HGAB Cc1ccccc1-c1ccc(N2CCN(S(=O)(=O)c3ccccc3F)CC2)nn1 13663834 DDYSCNOWXSWTDO-UHFFFAOYSA-N 412.490 3.102 0 40 HGAB COc1cc(OC)c2c(C)c(CC(=O)NC3CC(C)(C)NC(C)(C)C3)c(=O)oc2c1 13729478 CFFRQQYKKKMKSD-UHFFFAOYSA-N 416.518 3.087 0 40 HGAB COc1ccc(CNC(=O)CN(CCC(C)C)S(=O)(=O)c2ccc(C)cc2)cc1 14124775 PODLMGGAQRYXQS-UHFFFAOYSA-N 418.559 3.357 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CCc3cc4ccccc4nc32)cc1 15841773 LZMWEWUWGWFULJ-UHFFFAOYSA-N 409.511 3.468 0 40 HGAB COc1ccc(C2=NO[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C(=O)c2ccco2)c(OC)c1 16021612 CYTJZHFCFDYJGP-WMZHIEFXSA-N 418.405 3.378 0 40 HGAB CCCN(CC(=O)Nc1ccccc1C)C(=O)COc1ccc(-c2nnco2)cc1 16249110 GLXNDAMFZYOLOU-UHFFFAOYSA-N 408.458 3.301 0 40 HGAB CCCS(=O)(=O)N1CCCc2cc(NS(=O)(=O)c3ccccc3F)ccc21 17287048 SDZPLSYBQUVRQJ-UHFFFAOYSA-N 412.508 3.119 0 40 HGAB Cc1cc(C)n(CCC(=O)N2CCc3onc(Nc4cccc(C)c4C)c3C2)c(=O)n1 19235658 ZYDFVCGHMWKQOV-UHFFFAOYSA-N 421.501 3.184 0 40 HGAB COc1ccc(N2C[C@H](C(=O)N3CCC[C@@H]3c3ccc(OC)cc3OC)CC2=O)cc1 19556326 DKAZKJJIPOHSFM-IIBYNOLFSA-N 424.497 3.429 0 40 HGAB COc1ccc2c(c1)C[C@H](C(=O)N1CCC[C@@H](c3nc(-c4cccnc4)no3)C1)CO2 19562345 ZYYLNNHZZAIKOD-AEFFLSMTSA-N 420.469 3.098 0 40 HGAB Cc1nc(C2CCN(Cc3cnn(C)c3C)CC2)nc2c1CCC(=O)N2CC(C)C 19739474 GSLJBDSCNUXHCU-UHFFFAOYSA-N 410.566 3.142 0 40 HGAB Cn1cc(C(=O)NCc2ccccc2)c(CC2CCN(C(=O)c3ccccc3)CC2)n1 19756516 TYUBQWCKWDJIBK-UHFFFAOYSA-N 416.525 3.445 0 40 HGAB Cc1ccc2c(c1)[C@H](NC(=O)CN(c1ccc(F)cc1)S(C)(=O)=O)CC(C)(C)O2 22335708 HKWQEBWASYRDNT-GOSISDBHSA-N 420.506 3.319 0 40 HGAB CC(C)Oc1ccc(N(CC(=O)NCCSc2ccccc2)S(C)(=O)=O)cc1 22384354 BSVTZXMBSMPTCN-UHFFFAOYSA-N 422.572 3.148 0 40 HGAB COc1cccc(/C=C/C(=O)Nc2cc(C(C)(C)C)nn2[C@@H]2CCS(=O)(=O)C2)c1 22406850 BAZYFCDPJQOYBL-ROJDOSBLSA-N 417.531 3.201 0 40 HGAB CCOc1ccc([C@@H](C)NC(=O)CN(c2c(C)cccc2C)S(C)(=O)=O)cc1 22512123 AQPWJDCHHUKCOL-QGZVFWFLSA-N 404.532 3.346 0 40 HGAB O=C(c1cnn(-c2ccccc2)c1)N1CCN(Cc2nc3ccccc3s2)CC1 23936954 OXFXGKCXIZEYJJ-UHFFFAOYSA-N 403.511 3.440 0 40 HGAB Cc1ccc(-n2cnnc2SCC(=O)N2CCN(C)C[C@H]2c2ccccc2)cc1 26937991 OFLUZUATNCOROV-FQEVSTJZSA-N 407.543 3.183 0 40 HGAB CN(Cc1ccc2c(c1)OCCO2)C(=O)C1(NC(=O)NCc2ccccc2)CCCC1 28430800 FYPDAWBZPCEUJX-UHFFFAOYSA-N 423.513 3.228 0 40 HGAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(CN2C(=O)CNC2=O)cc1 29176211 CIFPYCKHVZBFQR-UHFFFAOYSA-N 401.850 3.188 0 40 HGAB Cc1cc(S(=O)(=O)NCCSCc2ccccc2F)ccc1N1CCCC1=O 30856851 HXABOMDTBIGDJS-UHFFFAOYSA-N 422.547 3.473 0 40 HGAB Cc1cccc2sc(C(=O)NCc3cccc(NS(N)(=O)=O)c3)c(Cl)c12 32754077 SWQFJCAHKAEYQV-UHFFFAOYSA-N 409.920 3.409 0 40 HGAB O=C(NC[C@H](c1ccccc1Cl)N1CCCC1)[C@H]1CCCN(c2ncccn2)C1 32761046 HEEBDMZPIRANIR-FXAWDEMLSA-N 413.953 3.300 0 40 HGAB C[C@@H](OC(=O)c1cccc(CN2C(=O)CNC2=O)c1)C(=O)C12CC3CC(CC(C3)C1)C2 32901763 BBYXRJWLEYTZQW-FBQBUPJLSA-N 424.497 3.069 0 40 HGAB O=C(Nc1cccc(-c2ccc(N3CCOCC3)nn2)c1)c1ccc2nsnc2c1 38486337 DVKWFFWHHXGCAA-UHFFFAOYSA-N 418.482 3.237 0 40 HGAB CC(C)C(NC(=O)[C@H]1CCN(S(C)(=O)=O)c2cc(Cl)ccc2O1)C(C)C 38849213 JLARQFVVTSSNHT-MRXNPFEDSA-N 402.944 3.054 0 40 HGAB CC(C)(C)NC(=O)c1ccccc1NC(=O)c1cc(NS(C)(=O)=O)ccc1Cl 44846811 MQUIYRJXJUFEMR-UHFFFAOYSA-N 423.922 3.492 0 40 HGAB COc1cc2ncn(CCCC(=O)NCc3ccc(C)cc3C)c(=O)c2cc1OC 45200823 VSPTVZJNEPRHRV-UHFFFAOYSA-N 409.486 3.127 0 40 HGAB CCn1c(C)ccc(-c2noc(CCC(=O)N[C@@H](C)c3ccc(OC)cc3)n2)c1=O 46020447 KQYPDBAMVYAVIN-HNNXBMFYSA-N 410.474 3.045 0 40 HGAB COc1ccc(CCNc2c(-c3ccc(O)cc3O)nc3cnccn23)cc1OC 57721454 ILWRMIDWAJEGJV-UHFFFAOYSA-N 406.442 3.479 0 40 HGAB CC(C)c1noc(CCCNS(=O)(=O)c2cc3ccc(Cl)nc3cc2F)n1 72307548 JTWHEUKMKYUQFS-UHFFFAOYSA-N 412.874 3.445 0 40 HGAB CNC(=O)[C@]1(Cc2cccc(-c3ccc(C)cc3)c2)CN(C(=O)C2CCC2)CCO1 72389137 LYBOBVMXIFKMFE-VWLOTQADSA-N 406.526 3.348 0 40 HGAB CCN1C(=O)c2ccccc2C(=O)[C@@]2(C)CN(Cc3cccc(OC)c3OC)C[C@@H]12 72395490 YFMDMAPKIIDXCC-YKSBVNFPSA-N 408.498 3.253 0 40 HGAB NC(=O)N1CC[C@@H](NC(=O)CS[C@@H](c2ccccc2)c2ccc(Cl)cc2)C1 78808904 CTZXMBIQBVLFIK-MJGOQNOKSA-N 403.935 3.432 0 40 HGAB Cc1ccnc(NC(=O)C2CCN(C(=O)C3(c4ccccc4)CCOCC3)CC2)c1 84250809 XDFKGSPFWSSJHN-UHFFFAOYSA-N 407.514 3.316 0 40 HGAB Cn1cc(NC(=O)C(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)c(-c2ccncc2)n1 84314226 FRPQUOZHJUBEPB-SFHVURJKSA-N 409.877 3.342 0 40 HGAB CCN(CC)C(=O)C[C@H]1CC2(CCN(C(=O)c3cnccn3)CC2)Oc2ccccc21 96053487 FAHFSOVXQITATJ-SFHVURJKSA-N 422.529 3.276 0 40 HGAB CCN1C[C@H]2C3(CCN(C(=O)Cc4ccccc4)CC3)CC[C@@]2(C(=O)N2CCCC2)C1 96143892 GCCORYHPGPJLMI-BKMJKUGQSA-N 423.601 3.192 0 40 HGAB CCOC(=O)c1ccc(COc2ccc(N3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4C3)cc2)o1 100390963 BXGYIWJXGMPZCM-FEBSWUBLSA-N 407.422 3.347 0 40 HGAB O=C(c1cc(Br)cc(Br)c1O)c1nn[nH]c1C(F)(F)F 101383570 QPCIJHPMQJUQTH-UHFFFAOYSA-N 414.963 3.285 0 40 HGAB COC(=O)C[C@@H]1SC(=O)N[C@]12Oc1ccccc1[C@H]1CC(c3ccccc3)=NN12 103174131 CEHBDOODFBGBGJ-PLMTUMEDSA-N 409.467 3.272 0 40 HGAB CC(C)(C)C(=O)[C@@H]1[C@H]2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@@H]2[C@H]2C=CC=NN12 103537755 PBCZZUVKQDBLBP-WCVJEAGWSA-N 420.296 3.323 0 40 HGAB C[C@@H]1C[C@@H](C(=O)O[C@H](C)C(=O)N2CCN(c3ccccc3)CC2)c2ccccc2N1 107150038 QPMAAOZRKFQLES-DBXWQHBBSA-N 407.514 3.255 0 40 HGAB CCc1ccc(N(CCCC(=O)NCc2ccccc2OC)S(C)(=O)=O)cc1 113960899 QZKBNGWDVUREGW-UHFFFAOYSA-N 404.532 3.120 0 40 HGAB Cc1cc(C)n(Cc2ccc(C(=O)NCc3ccccc3CN3CCOCC3)cc2)n1 139621858 FOYQKMMTIKQSGY-UHFFFAOYSA-N 418.541 3.310 0 40 HGAB COC(=O)c1cc(S(=O)(=O)NCCOc2ccc(C(C)(C)C)cc2)ccc1C 145107313 ZNJGKUTYWGJHKN-UHFFFAOYSA-N 405.516 3.436 0 40 HGAB C[C@@H]1CCN(C(=O)CN2C(=O)N[C@]3(CCCC[C@H]3C)C2=O)c2ccccc2S1 195528617 GGFKATDCBPMOHP-PZPWOCDFSA-N 401.532 3.405 0 40 HGAB Cc1cccc(CNC(=O)COc2ccc(S(=O)(=O)NCc3ccccc3)cc2)c1 222651929 JOHVQEGETZMEMK-UHFFFAOYSA-N 424.522 3.169 0 40 HGAB CNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CSCc1ccc(C)cc1 222779676 VBMGOAFIWQIUMG-QGZVFWFLSA-N 400.544 3.400 0 40 HGAB Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN(C)C)n1-c1cccnc1 223219170 JMSZAGRNERAHIX-FGZHOGPDSA-N 420.586 3.500 0 40 HGAB S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2-c2ccccn2)N1C[C@@H]1CCCO1 223295589 NGKHULDQHTYIKC-ZLGUVYLKSA-N 405.527 3.419 0 40 HGAB CC(C)c1ccccc1OCCNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 223837472 LGRGYXOZSVHPGD-UHFFFAOYSA-N 416.543 3.403 0 40 HGAB COc1ccccc1[C@H](C)NC(=O)[C@@H](C)N(c1cc(C)ccc1OC)S(C)(=O)=O 225386296 QMFZSXNCWDUEBU-JKSUJKDBSA-N 420.531 3.044 0 40 HGAB CS(=O)(=O)N(CCCC(=O)NCCSC1CCCC1)c1ccc(F)cc1 225457326 CPDHSENHUBFNTH-UHFFFAOYSA-N 402.557 3.164 0 40 HGAB O=C(N[C@H](c1cccnc1)C1CCOCC1)[C@@H]1CCCN1c1nc2ccccc2o1 230171468 BLPMULVBZSGVJT-FPOVZHCZSA-N 406.486 3.476 0 40 HGAB CCOC(=O)[C@]1(CN)[C@@H](c2ccc(CC)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 242463755 DJLLEEVARYHFGM-QKNQBKEWSA-N 421.946 3.350 0 40 HGAB Cc1nn(C)cc1S(=O)(=O)N1CCC[C@@H]1c1ncc(Cc2ccc(Cl)cc2)o1 257209032 BORVFISNIRUQMT-QGZVFWFLSA-N 420.922 3.487 0 40 HGAB Cc1ccc(N2C[C@H]3C[C@]3(C(=O)Nc3ccc(OC(C)C)cc3)S2(=O)=O)cc1 260828951 GIDMQAWFWGSZPV-IERDGZPVSA-N 400.500 3.329 0 40 HGAB Cc1ccc([C@H](C)NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)cc1 260912902 YZBCYKQWLQMVDA-WMZOPIPTSA-N 404.507 3.412 0 40 HGAB CC(C)n1cnc([C@H]2CN(C(=O)C3CCC3)C[C@@]23CCN(Cc2ccncc2)C3=O)c1 306139912 UDRSGCRZXNSLAC-YKSBVNFPSA-N 421.545 3.004 0 40 HGAB O=C(Cc1ccc(OC(F)(F)F)cc1)NCc1nnc2n1CC[C@@H](C(F)(F)F)C2 390832531 ZZVJOQLYXNVGOB-LLVKDONJSA-N 422.329 3.160 0 40 HGAB Cc1cc(I)cc(C)c1NC(=O)CSc1nccc(O)n1 408542649 KKYBKUPGEZWORQ-UHFFFAOYSA-N 415.256 3.134 0 40 HGAB O=C(O)CCSc1nc2ccc(N3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2s1 408750672 QDAAGZYXVPXLQG-VUKUWZNJSA-N 400.481 3.175 0 40 HGAB CCCN(CCC)C(=O)CN1C(=O)S/C(=C\c2cc3c(cc2OC)OCO3)C1=O 409213581 UWFFWNGXOBSVPW-MFOYZWKCSA-N 420.487 3.109 0 40 HGAB COC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc[nH]3)C2=O)ccc1Cl 409354479 GERZSWHYAUCAOC-RIYZIHGNSA-N 419.846 3.130 0 40 HGAB Cc1ccn(-c2ccc(C(=O)N3CCC4(CC3)C[C@@H]4C(=O)N3CCCCC3)cc2)n1 540011072 VUXQTDZIAINTMH-OAQYLSRUSA-N 406.530 3.436 0 40 HGAB Cc1cc(OC2CN(C(=O)Cc3ccc(Br)cc3)C2)cc(=O)n1C1CC1 585326387 XNSBVYQCVWXVAH-UHFFFAOYSA-N 417.303 3.086 0 40 HGAB O=C([C@@H]1CCCN(c2ccc3ccc(Br)cc3n2)C1)N1CCOCC1 811719542 ZDAVAOQCOAGUFF-OAHLLOKOSA-N 404.308 3.073 0 40 HGAB COC(=O)[C@H](C)[C@H](NC(=O)[C@@H](CCSC)NC(=O)OC(C)(C)C)c1ccccc1 1629587837 RLUVXDJCVNHQRN-OIISXLGYSA-N 424.563 3.299 0 40 HGAB Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)N1CCc3cc(Cl)nnc3C1)O2 1630988862 JJJYYXHWHMNQHL-NRFANRHFSA-N 401.894 3.429 0 40 HGAB O=S(=O)(NC[C@@H](O)c1ccc(-c2ccco2)s1)c1cccc2nsnc12 1775968390 FLANWXDGMPMHAX-LLVKDONJSA-N 407.498 3.025 0 40 HGAB Cc1nc2ccc(OCC3CCN(c4ncc(Br)cn4)CC3)nn2c1C 1888879994 BGFPHFTVBKXGER-UHFFFAOYSA-N 417.311 3.194 0 40 HGAB CS(=O)(=O)c1cccc2sc(N3CCC[C@@H](COc4ccncc4)C3)nc12 1888897062 FMMKVLOJWQKVGP-CQSZACIVSA-N 403.529 3.390 0 40 HGAB O=S(=O)(c1ccccc1F)N1CC[C@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@@H]21 1889211481 LATSQUUASVBTBH-WFASDCNBSA-N 415.412 3.139 0 40 HGAB CC(C)(C)[C@H]1CCc2c(sc3nnn(CC(=O)NCc4ccccc4)c(=O)c23)C1 1321015 HSHNMQXMZZWCGA-HNNXBMFYSA-N 410.543 3.320 0 40 HGAB Cc1cc(OCC(=O)NC2CC(C)(C)NC(C)(C)C2)c2c3c(c(=O)oc2c1)CCC3 2397495 SEBFKXUZDXZZPB-UHFFFAOYSA-N 412.530 3.394 0 40 HGAB Cc1cc(C(=O)CSc2nnc(N)s2)c(C)n1C[C@H]1COc2ccccc2O1 2635121 NYRNQRFCXYNRIT-ZDUSSCGKSA-N 416.528 3.354 0 40 HGAB CC(C)[C@@H]1N=C2c3ccccc3N=C(SCC(=O)NCc3ccccc3)N2C1=O 2965427 SHKVHMIBGYDUHQ-IBGZPJMESA-N 406.511 3.351 0 40 HGAB CCCN(CC(=O)NCCc1ccc(Cl)cc1)S(=O)(=O)c1ccc(F)cc1 3326125 BSZMACTVTWBKPB-UHFFFAOYSA-N 412.914 3.239 0 40 HGAB C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1ccc(Br)cc1F)C2=O 3595852 KWIWVVMCCXLFGP-BTDLBPIBSA-N 412.259 3.027 0 40 HGAB C[C@@H](C(=O)NC1CCCCC1)N1C(=O)N2CCc3c([nH]c4ccccc34)[C@@]2(C)C1=O 4073516 CJLYTLDVDQOMLK-PSLXWICFSA-N 408.502 3.041 0 40 HGAB biogenic Cc1cccc(-n2c(C)c(C)n3c4c(=O)n(CCC(C)C)c(=O)n(C)c4nc23)c1C 4370480 GYAYXARQWBAWES-UHFFFAOYSA-N 407.518 3.418 0 40 HGAB COc1ccc(/C=C\C(=O)NCCCCNC(=O)/C=C/c2ccc(OC)cc2)cc1 4963708 CZVBBBUACNWLIG-CKOAPEAFSA-N 408.498 3.443 0 40 HGAB COc1cc(OC)cc(C(=O)Nc2ccc(Cl)c(N3CCCS3(=O)=O)c2)c1 5076024 VPVMYSTYKJMOCQ-UHFFFAOYSA-N 410.879 3.149 0 40 HGAB Cc1cccc(NC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)c1C 5815587 NPAJUGMPIFCQGE-HOTGVXAUSA-N 402.516 3.354 0 40 HGAB O=C(CCCNC(=O)c1ccc(Cl)cc1)Nc1ccc(N2CCOCC2)cc1 6588831 PVNSKFWUPRZYNJ-UHFFFAOYSA-N 401.894 3.325 0 40 HGAB C[C@H]1CCCCN1C(=O)COC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1 6623437 WYGDOCHJTHSKLH-INIZCTEOSA-N 416.499 3.045 0 40 HGAB CCOCCCNC(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(Cl)cc1 6767074 MNOJEYYDZFXQIY-UHFFFAOYSA-N 422.934 3.248 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NCc2cccc(OC)c2)c1 7007754 SQWHFOXZQUFJCC-UHFFFAOYSA-N 410.923 3.309 0 40 HGAB CCC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)Nc2ccc(OC)cc2)cc1C 7361950 XGEDZJBGVQFSLW-INIZCTEOSA-N 420.531 3.488 0 40 HGAB O=C(Nc1ccc2c(c1)OCO2)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 7597952 QINWKORAPVHBTE-JLHYYAGUSA-N 414.483 3.067 0 40 HGAB COc1cc(OC)c(N2C[C@@H](C(=O)NCc3ccccc3OC)CC2=O)cc1Cl 8277315 HMBHOJVCGHDXTR-AWEZNQCLSA-N 418.877 3.035 0 40 HGAB CC(=O)Nc1ccc(NC(=O)CSc2nccn2Cc2ccc3c(c2)OCO3)cc1 8601189 LUKWUMPCWOHACS-UHFFFAOYSA-N 424.482 3.349 0 40 HGAB Cc1ccc(C)c(S(=O)(=O)NCc2nnc3c(C(F)(F)F)cc(Cl)cn23)c1 8995766 AAMVLFNKCTYKQK-UHFFFAOYSA-N 418.828 3.497 0 40 HGAB COc1ccc(NC(=O)[C@@H]2Sc3nnc(C)n3N[C@H]2c2ccc(OC)cc2)cc1 9236772 ZUMKIAKVGLWTOR-ZWKOTPCHSA-N 411.487 3.002 0 40 HGAB C[C@@H]1CN(C(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)s3)cc2)CCO1 9854245 ZHHKZOQJCPIOIL-LLVKDONJSA-N 400.909 3.063 0 40 HGAB Cc1ccc(-n2ncc3c(=O)n(NC(=O)c4ccc(Br)cc4)cnc32)cc1 10251463 VNJINZYVAUAFLD-UHFFFAOYSA-N 424.258 3.037 0 40 HGAB COc1ccccc1N1C(=S)N[C@H](c2cccc(C#N)c2)C(C(=O)N(C)C)=C1C 10354958 YDZXKJDOCQXIDP-HXUWFJFHSA-N 406.511 3.365 0 40 HGAB COc1ccc(S(=O)(=O)NCCCN2C[C@@H](C)C[C@H](C)C2)cc1Br 10544045 LTJBWQVGFSIDCC-KBPBESRZSA-N 419.385 3.104 0 40 HGAB Cc1ccc(S(=O)(=O)NCCC(=O)NCc2coc(-c3cccs3)n2)c(C)c1 10883489 OIBWRUMUJJFLCU-UHFFFAOYSA-N 419.528 3.005 0 40 HGAB Cc1nc(COc2ccc(C(=O)O[C@@H](C)C(=O)N3c4ccccc4C[C@@H]3C)cc2)no1 12072890 QMSXCWIZECRIKO-GJZGRUSLSA-N 421.453 3.480 0 40 HGAB CCOC(=O)C1CCN(Cc2nc(-c3ccc(-c4ccnc(C)n4)cc3)no2)CC1 12275276 ZYTVOEDZOAETNA-UHFFFAOYSA-N 407.474 3.277 0 40 HGAB COc1ccccc1CC(=O)N1CCN(C(=O)CCCc2c[nH]c3ccccc23)CC1 12390750 PDIYUMJDPQGYKO-UHFFFAOYSA-N 419.525 3.413 0 40 HGAB CCOc1nn(CC)cc1-c1nnc(SCc2cc(OC)cc(OC)c2)n1C 12422696 GEJLMDOJRQSCCG-UHFFFAOYSA-N 403.508 3.407 0 40 HGAB Cc1ccc2c(CNc3ccc(NC(=O)CN4CCOCC4)cc3)cc(=O)oc2c1C 12550002 JBUNZWVNROZCSP-UHFFFAOYSA-N 421.497 3.293 0 40 HGAB O=C1N(c2cccc(C(F)(F)F)c2)[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(F)cc1 12636185 AUFYOQOOBHQNKR-JKSUJKDBSA-N 414.380 3.457 0 40 HGAB Cc1ccc(NC(=O)COc2ccccc2F)cc1S(=O)(=O)N1CCCCC1 12752419 ZRMVOQYJUQQTJD-UHFFFAOYSA-N 406.479 3.326 0 40 HGAB COC(=O)[C@@H](c1ccccc1Cl)N1CCN(C(=O)c2cccc(OC)c2)CC1 12761283 GQZVLTWNTZVRCI-LJQANCHMSA-N 402.878 3.021 0 40 HGAB CN(CC(=O)Nc1ccccc1C(=O)NCc1ccco1)Cc1ccc2c(c1)OCO2 12765768 FNTNEPCPLIYCAP-UHFFFAOYSA-N 421.453 3.009 0 40 HGAB COC(=O)CNC(=O)c1ccc(NC(=O)c2ccccc2COc2ccccc2)cc1 12790198 LPZHFQQQFONHAZ-UHFFFAOYSA-N 418.449 3.421 0 40 HGAB O=C(NCc1ccc(CN2CCOCC2)cc1)c1cccc(OC[C@@H]2CCCO2)c1 12974192 GGDDZZCDLGKMCR-QHCPKHFHSA-N 410.514 3.007 0 40 HGAB O=C(NCc1cccc(Cl)c1)N1CCC(NS(=O)(=O)c2cccs2)CC1 12997888 XXQRYUXDEPTAHZ-UHFFFAOYSA-N 413.952 3.054 0 40 HGAB COC(=O)[C@H](CC(C)C)NC(=O)c1sc(-c2ccc(OC)c(OC)c2)nc1C 13001404 MNBIVEKPTXCSEM-AWEZNQCLSA-N 406.504 3.453 0 40 HGAB O=C1C[C@@H](N2CCN(c3ccccc3Cl)CC2)C(=O)N1Cc1ccc(Cl)cc1 13137151 QBVFAAKFNWRRCF-LJQANCHMSA-N 418.324 3.443 0 40 HGAB COc1ccc(CNC(=O)CCNS(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)cc1 14094073 BAGBVSWRYOCIAJ-UHFFFAOYSA-N 418.559 3.222 0 40 HGAB Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2OC(F)(F)F)cc1 14188828 RIPIQVXDXXBEKE-UHFFFAOYSA-N 402.394 3.153 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(F)(F)F)C2)cc1Br 14199358 NGYUNHRSMMVASL-VIFPVBQESA-N 402.232 3.421 0 40 HGAB O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cccnc1N1CCCC1 14230592 ZDFVXQFQAPYLRX-UHFFFAOYSA-N 414.531 3.109 0 40 HGAB c1ccc(-n2nnnc2N2CCN(Cc3csc(-c4ccsc4)n3)CC2)cc1 15519944 IIIZJWQYLYPXAK-UHFFFAOYSA-N 409.544 3.170 0 40 HGAB Cc1ccc2nc(COc3ccc(NS(=O)(=O)c4ccccc4)cc3)cc(=O)n2c1 15865517 XETFTNRRKWDYSZ-UHFFFAOYSA-N 421.478 3.383 0 40 HGAB CC(=O)N1CCN(c2ccccc2NC(=S)NC(=O)c2ccc(Cl)cc2)CC1 17090909 IWRBMNHMIJFXMY-UHFFFAOYSA-N 416.934 3.135 0 40 HGAB COc1cccc(NC(=O)C[C@H]2SC(c3cc4ccccc4oc3=O)=NC2=O)c1 18992288 AURAAWFFEYHAHJ-QGZVFWFLSA-N 408.435 3.219 0 40 HGAB COc1ccc(-n2nnc(C(C)=O)c2NC[C@@H](c2ccccc2OC)N(C)C)cc1 19023103 XDTSPDRWWWRMOX-IBGZPJMESA-N 409.490 3.202 0 40 HGAB COc1ccc(C)cc1COC(=O)[C@@]12CCC(=O)N1c1ccccc1C(=O)N2C(C)C 19355984 LZYPJILSVWEJMM-XMMPIXPASA-N 422.481 3.434 0 40 HGAB O=C(c1ccncc1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CN(C1CCCCC1)CC2 19404891 NYGXBHRAVJODGZ-OAQYLSRUSA-N 421.545 3.223 0 40 HGAB COc1ccc([C@@H]2[C@@H](NC(=O)[C@@H](C)CN3CCOCC3)[C@H]3CCCC[C@H]32)cc1OC 19456325 QMTRVFBSDSLGJE-QHFYENJSSA-N 416.562 3.061 0 40 HGAB C[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCCN(C(=O)COc4cccnc4)C3)cc2N1 19574595 ZCJSRZJWINCLLN-JKIFEVAISA-N 423.439 3.371 0 40 HGAB Cc1ccc(OCCN(C)C)c(NC(=O)c2sc3nc(C)[nH]c(=O)c3c2C)c1 19718994 VSYHNWGHDZTPNW-UHFFFAOYSA-N 400.504 3.103 0 40 HGAB Cc1ccccc1OC[C@@H](C)NC(=O)CN(c1cc(Cl)ccc1C)S(C)(=O)=O 22337014 JZGHCQGXPKPYOG-MRXNPFEDSA-N 424.950 3.307 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@H](C)c3ccc(F)cc3)C2)cc1 22539838 CKMDWUUIJKVABG-SJLPKXTDSA-N 404.507 3.412 0 40 HGAB COc1cccc(NC(=O)CN2CCN(Cc3cccc(C(F)(F)F)c3)CC2)c1 22783587 VZHWUSUERMKCLP-UHFFFAOYSA-N 407.436 3.470 0 40 HGAB O=C(NCC(=O)N1CCN(Cc2cccs2)CC1)c1ccc(-c2ccccc2)cc1 23866912 ZITKVECFZWXMOI-UHFFFAOYSA-N 419.550 3.489 0 40 HGAB CN1CCN(C(=O)Cc2cc(Cl)c3c(c2)OCCCO3)c2nc3ccccc3nc21 25091820 MYIRMUHNLOTKOF-UHFFFAOYSA-N 424.888 3.470 0 40 HGAB COc1cc(Cl)c(C)cc1NC(=O)c1ccccc1NC(=O)CN1CCOCC1 25572041 HOASDEDNKMBGMJ-UHFFFAOYSA-N 417.893 3.180 0 40 HGAB Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)Sc1nccc(C(F)(F)F)n1 26480073 OBTVOHKOMIHUSC-GFCCVEGCSA-N 412.437 3.348 0 40 HGAB C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1Cc1cc(Cl)c2c(c1)OCCCO2 27556628 VWXUUEPSZGVYQD-GFCCVEGCSA-N 408.907 3.100 0 40 HGAB Cc1cccc(N2CCN(CC[C@H](C)NS(=O)(=O)c3ccc(F)cc3)CC2)c1 30439712 RSBUOPOAZIJASR-SFHVURJKSA-N 405.539 3.013 0 40 HGAB O=S(=O)(c1cccs1)N1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1 30572710 SOCZEPOVQKBALK-UHFFFAOYSA-N 406.451 3.153 0 40 HGAB COc1cc(N2C[C@H](C(=O)Nc3ccc4c(c3)CCC4)CC2=O)cc(OC)c1OC 30611750 ABFCRIIDBVRBPD-MRXNPFEDSA-N 410.470 3.193 0 40 HGAB Cc1ccc2c(CC(=O)N3CCC(NS(=O)(=O)c4cccs4)CC3)coc2c1 30999296 PGWXHQAUMXMVCD-UHFFFAOYSA-N 418.540 3.315 0 40 HGAB COc1cc2c(cc1OC)-n1c(S(=O)(=O)Nc3ccc(Cl)cc3)cnc1C2 32611947 BIPCTRFKARUUMR-UHFFFAOYSA-N 405.863 3.248 0 40 HGAB COc1ccc(OC)c(NC(=O)CSCc2cc(=O)n3cc(Cl)ccc3n2)c1 33026819 PZLFKSJESSOMMQ-UHFFFAOYSA-N 419.890 3.237 0 40 HGAB O=C(CN1CCN(C(=O)CCc2ccc(Cl)cc2)CC1)Nc1ccc(F)cc1 35267049 QQXZTQKVLGMUJX-UHFFFAOYSA-N 403.885 3.195 0 40 HGAB CC(=O)Nc1ccccc1-c1nnc(SCC(=O)Nc2cccc(C)c2)nc1O 35377935 FHDCHZNXZFPEHQ-UHFFFAOYSA-N 409.471 3.242 0 40 HGAB COc1cc(Cl)c(C)cc1NC(=O)CN1CCN(C(=O)c2cccs2)CC1 36385054 DGKVOQVJNLYZIN-UHFFFAOYSA-N 407.923 3.115 0 40 HGAB CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCN(c3cccc(Cl)c3)CC1)C(=O)C2 36636379 VFVJBXOIGABCAW-FOIQADDNSA-N 410.967 3.187 0 40 HGAB CCc1c(C(=O)OCC(=O)Nc2ccccc2-c2ccccc2)cnc2ncnn12 40081970 VTOUMEBWEMERLY-UHFFFAOYSA-N 401.426 3.149 0 40 HGAB CC[C@@H]1CCCCN1c1nc2c(c(=O)[nH]1)[C@@H](C(=O)Nc1cc(C)ccc1C)CC(=O)N2 40390607 ULDXRIHSVOQZHL-CVEARBPZSA-N 423.517 3.220 0 40 HGAB CC[C@H](C)NC(=O)CN1C(=O)[C@@H](C)Oc2ccc(-c3csc(CCOC)n3)cc21 40608614 VKMMTOPIBWYNRA-UONOGXRCSA-N 417.531 3.028 0 40 HGAB O=C(CCn1nc(-c2cccc(Cl)c2)ccc1=O)N1CCN(c2ccccc2)CC1 41251980 JMKGVTCIGDQGEC-UHFFFAOYSA-N 422.916 3.303 0 40 HGAB CCOc1cccc(CNC(=O)[C@@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)c1 44900307 NNQGPOCAGXRXPS-CQSZACIVSA-N 410.923 3.210 0 40 HGAB O=C(NCCC(=O)N1CCOCC1)N[C@@H](CCCc1ccccc1)c1ccccc1 45212343 UICNLICMINAUOI-QFIPXVFZSA-N 409.530 3.299 0 40 HGAB O=C(NC1CCN(C(=O)c2cn(-c3cccc(Cl)c3)nn2)CC1)c1cccs1 49406156 WPJDOUGEZQUHMM-UHFFFAOYSA-N 415.906 3.017 0 40 HGAB COc1ccccc1CN(C)C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1 52956551 BIYNDRNTIYJURP-IBGZPJMESA-N 416.543 3.063 0 40 HGAB CCc1ccc(-c2cc3c(=O)n(CC(=O)Nc4cccc(SC)c4)ncn3n2)cc1 67208842 CHTNMUZLUFBNDK-UHFFFAOYSA-N 419.510 3.481 0 40 HGAB COc1ccc(-c2ccc(=O)n(CC(=O)Nc3cccc4c3ccn4C)n2)c(F)c1 71288690 OIQYYSOPRKEBOB-UHFFFAOYSA-N 406.417 3.188 0 40 HGAB CCCCc1nc(CN2CCc3c(nc(N4CCC[C@H](C)C4)[nH]c3=O)C2)c(Cl)[nH]1 72335623 OFXBUKIVVBFMIY-AWEZNQCLSA-N 418.973 3.284 0 40 HGAB COC(=O)COc1ccc([C@@H]2CC(O)=Nc3c2cnn3Cc2ccco2)cc1OC 72403752 OYLZUJUQQZGUMP-HNNXBMFYSA-N 411.414 3.208 0 40 HGAB Cc1ccc(S(N)(=O)=O)cc1NC(=O)CN[C@H](c1ccccc1)C1CCCCC1 89644434 FCMILTNGHOMPCQ-JOCHJYFZSA-N 415.559 3.492 0 40 HGAB O=C(C[C@H]1CC2(CCN(C(=O)c3ccncc3)CC2)Oc2ccccc21)NC1CC1 96053441 XRRPYMAUKZGJKM-SFHVURJKSA-N 405.498 3.291 0 40 HGAB COCc1n[nH]c(-c2ccc(NC(=O)c3cc4c(OC)ccc(OC)c4[nH]3)cc2)n1 96117752 FYYGZLKXWYWKPV-UHFFFAOYSA-N 407.430 3.369 0 40 HGAB O=C1CS[C@@H](c2ccc3c(c2)OCO3)c2c(O)nn(C3CCSCC3)c2N1 96118376 MNAJJNJFJIXQKX-INIZCTEOSA-N 405.501 3.160 0 40 HGAB O=S(=O)(c1cccs1)N1CC[C@]2(CCCN(CCOc3ccccc3)C2)C1 96216348 MAAGRQQYLGEBJU-FQEVSTJZSA-N 406.573 3.304 0 40 HGAB CCc1ccc(NC(=O)N2CCC[C@]3(CC(C(=O)NCc4cccnc4)=NO3)C2)cc1 96225114 SPFJRLZONGJEDE-QHCPKHFHSA-N 421.501 3.103 0 40 HGAB Cc1ccc(CNC(=O)C2=NO[C@]3(CCCN(C(=O)c4sccc4C)C3)C2)cc1 96225370 VCHDCJAWLCIUOX-JOCHJYFZSA-N 411.527 3.432 0 40 HGAB CCc1noc(C)c1C(=O)NCCN1C(=O)S/C(=C/c2ccc(OC)cc2)C1=O 96865466 ZDVRPMQBKJMJEV-LFIBNONCSA-N 415.471 3.020 0 40 HGAB COc1ccc(-n2nnnc2/C=C/Nc2cc(OC)c(C(=O)O)cc2Cl)cc1 101004009 RMRUAQHMEXSHGR-BQYQJAHWSA-N 401.810 3.114 0 40 HGAB COc1ccc(CNC2=N[C@H](c3ccc(SC)cc3)n3c(nc(C)cc3=O)N2)cc1 101983090 NAEFSZBGZRJXGM-FQEVSTJZSA-N 421.526 3.400 0 40 HGAB N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cc(C(F)(F)F)cc(C(F)(F)F)c1 137101495 ABRNRMCBTPZDPW-VHSXEESVSA-N 404.357 3.378 0 40 HGAB Cc1cc(O)c(C2=Nc3ncnn3[C@@H](c3ccc(Br)cc3)C2)c(=O)o1 170625864 WJQYVGYJOBDDMB-CYBMUJFWSA-N 401.220 3.122 0 40 HGAB CC[C@@H](C(=O)N[C@@H](C)c1ccc(OC)c(OC)c1)N(c1ccccc1)S(C)(=O)=O 216272284 HMTNCPMWEFSMHS-YJBOKZPZSA-N 420.531 3.126 0 40 HGAB CC[C@H](C(=O)N[C@H]1CCCc2ccccc21)N(c1cccc(OC)c1)S(C)(=O)=O 220630590 YGJSZLBOLPOFAW-LEWJYISDSA-N 416.543 3.434 0 40 HGAB CC(C)Oc1ccc(CNC(=O)c2cc(N(C)S(C)(=O)=O)ccc2Cl)cc1 222502989 SSOOWKQAOMGORX-UHFFFAOYSA-N 410.923 3.453 0 40 HGAB CC[C@@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CCc1ccc(OC)c(OC)c1 223051107 JVCVCGYVVHONDG-FQEVSTJZSA-N 412.530 3.498 0 40 HGAB C[C@H](C(=O)Nc1nnc(-c2ccccc2)s1)N(c1ccccc1F)S(C)(=O)=O 223249295 QINAYEBXDUFVID-GFCCVEGCSA-N 420.491 3.137 0 40 HGAB O=C(Nc1nnc(S(=O)(=O)Nc2ccc(F)cc2)s1)c1ccc(Cl)cc1 223727375 PGIYHKYIONAOOW-UHFFFAOYSA-N 412.855 3.384 0 40 HGAB CC(C)NC(=S)Nc1nc(Sc2ncccn2)cc(Sc2ncccn2)n1 225889501 XFMLRFPARXPVNU-UHFFFAOYSA-N 416.561 3.054 0 40 HGAB Cc1cc(N2CCCCCC2)nc(NC(=S)NCc2ccc3c(c2)OCCO3)n1 226015716 KZYRCXRLQVDJTH-UHFFFAOYSA-N 413.547 3.423 0 40 HGAB CC1=C2C[C@@H]3[C@H](C[C@@]2(C)CCC1)OC(=O)[C@H]3CN1CCN(C(=O)c2ccco2)CC1 248339896 UFAAOAUAAMIQQW-MWRIXTAVSA-N 412.530 3.496 0 40 HGAB Cn1cnc(S(=O)(=O)N2CCC[C@H](c3ncc(Cc4cccc(Cl)c4)o3)C2)c1 257221463 DPCYOEMTACRYOZ-HNNXBMFYSA-N 420.922 3.221 0 40 HGAB O=C(c1cccc2ncccc12)N1CCOC[C@]2(C1)CN(c1ccc(F)cc1)C(=O)O2 257265383 LYLAINTVDAWMFK-QHCPKHFHSA-N 421.428 3.242 0 40 HGAB Cc1ccc(=O)n(CC(=O)N2CCCC[C@@H]2c2ncc(Cc3cccc(F)c3)o2)n1 257303053 SFPCLTJGMGSPFL-LJQANCHMSA-N 410.449 3.023 0 40 HGAB Cc1cc(-c2ccc(F)cc2)cc([C@H]2CCCN(C(=O)Cn3cccnc3=O)C2)n1 257320039 VVBXJQQQKPTNST-SFHVURJKSA-N 406.461 3.159 0 40 HGAB CC[C@H](C)[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)OCC(=O)c1ccc(F)cc1 409004164 WTOQBAHTBQYQKI-MGPUTAFESA-N 421.490 3.253 0 40 HGAB Cc1cccc(NC(=O)CSc2nnc(CN3CCOCC3)n2-c2ccccc2)c1 409217040 NLZPWYRXAGEQQP-UHFFFAOYSA-N 423.542 3.139 0 40 HGAB COc1ccc2cc([C@@H]3C4=CNNC4=Nc4c3c(=O)oc3ccccc43)c(O)nc2c1 524731898 OLRRXHJVJJJRKV-GOSISDBHSA-N 412.405 3.223 0 40 HGAB biogenic C[C@H](Oc1ccc2c(c1)CCC2)c1nc(-c2cccc([C@]3(C)NC(=O)NC3=O)c2)no1 545655045 VXTKKKKMVAONRK-NPMABZOXSA-N 418.453 3.420 0 40 HGAB C[C@H](NC(=O)N1CCC2(CC1)C[C@H](O)CNC2=O)c1ccc(Oc2ccccc2)cc1 1563861785 KGVLDAZPDCWCIQ-HKUYNNGSSA-N 423.513 3.213 0 40 HGAB O=S1(=O)N=C(Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)c2ccccc21 867246 FKUWALNOMGFVKR-UHFFFAOYSA-N 413.480 3.048 0 40 HGAB Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccc(Br)cc1)Nc1ccccc1O2 977908 YTTXMFJVJNFJBD-INIZCTEOSA-N 414.259 3.154 0 40 HGAB COc1ccc(Cn2cccc(C(=O)Nc3cc(OC)c(OC)c(OC)c3)c2=O)cc1 1397101 LHGCSVHLZGLDOF-UHFFFAOYSA-N 424.453 3.183 0 40 HGAB CC(C)(CN1CCCC1=O)[C@H](OC(=O)c1ccccc1)C(=O)NC1CCCCC1 4017578 PTMAAFMZLFYBKW-HXUWFJFHSA-N 400.519 3.310 0 40 HGAB CCCC[C@@H](C(=O)OCC(=O)c1cccc(OC)c1)N1C(=O)c2ccccc2C1=O 4544779 HPBQGNLYLDVVPJ-IBGZPJMESA-N 409.438 3.276 0 40 HGAB COc1ccccc1CNC(=O)c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN12 5199848 YRMKYFISDXPFEJ-UHFFFAOYSA-N 413.499 3.106 0 40 HGAB NC(=O)c1c(NC(=O)COC(=O)c2cc3c(s2)CCC3)sc2c1CCCC2 5308291 GEBOOTLDOMKMMB-UHFFFAOYSA-N 404.513 3.072 0 40 HGAB O=C(Nc1ccc2c(c1)OCCO2)C1CCC(Cn2nnc3ccccc3c2=O)CC1 5322377 KTVJLGNCPVDJJW-UHFFFAOYSA-N 420.469 3.008 0 40 HGAB COc1ccc2[nH]c(C(=O)Nc3ccc(N4CCN(C(C)=O)CC4)cc3)c(C)c2c1 5353482 PPSMLYVNGSRACK-UHFFFAOYSA-N 406.486 3.406 0 40 HGAB COC(=O)c1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)cc1 5576720 ZLFCHAWGCHHZDW-UHFFFAOYSA-N 416.499 3.209 0 40 HGAB O=C(C[S@@](=O)Cc1ccco1)NCCCOc1cccc(CN2CCCCC2)c1 6092497 IWLUMUDDKHJJPB-GDLZYMKVSA-N 418.559 3.100 0 40 HGAB investigational Cc1nnnn1/C(=C\c1ccccc1)C(=O)OCC(=O)C12CC3CC(CC(C3)C1)C2 6179812 QFIZWZKOICJZII-JMIUGGIZSA-N 406.486 3.308 0 40 HGAB CCc1ccc(NC(=O)CNc2cc(S(=O)(=O)N(CC)CC)ccc2OC)cc1 7975781 XIQWNYKIGFDJOO-UHFFFAOYSA-N 419.547 3.339 0 40 HGAB COc1ccccc1[C@H]1[C@H](C(=O)NCCN(C)C)CCC(=O)N1c1ccc(C)cc1 7987382 NNDOECCHAVBTMV-OFNKIYASSA-N 409.530 3.166 0 40 HGAB CCCCCc1nnc(NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)s1 8036273 HEHFHTDONUHUTK-UHFFFAOYSA-N 408.549 3.308 0 40 HGAB CSc1ccc(NC(=O)c2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)cc1 8049168 AVQZZANQXDTWIR-MRXNPFEDSA-N 406.529 3.118 0 40 HGAB CC(C)NC(=O)N[C@H]1CCN2C(=O)c3cc(/C=C/c4ccccc4)ccc3NC(=O)[C@H]12 8296842 VIEZDUQIUQORSQ-DRJJXNLZSA-N 418.497 3.100 0 40 HGAB biogenic,in-vitro O=C1CCCN1c1ccc(S(=O)(=O)N(Cc2cccs2)C[C@H]2CCCO2)cc1 8327282 VJFOFYYXQGGIOV-QGZVFWFLSA-N 420.556 3.245 0 40 HGAB O=C(Nc1ccccc1N1CCOCC1)C1CCN(C(=O)/C=C/c2ccccc2)CC1 8339946 JFKJLVOSDCAYGS-ZHACJKMWSA-N 419.525 3.414 0 40 HGAB O=C(Nc1ccc(S(=O)(=O)NCc2ccccn2)cc1F)c1ccccc1F 8810646 FUIHUYYGVKZESZ-UHFFFAOYSA-N 403.410 3.091 0 40 HGAB O=C(Nc1ccc(S(=O)(=O)NCc2cccnc2)cc1F)c1ccccc1F 8810647 IJQJRLNCTUZQCI-UHFFFAOYSA-N 403.410 3.091 0 40 HGAB CC(=O)NCc1ccc(-c2csc(NC(=O)c3cnn(-c4ccccc4)n3)n2)cc1 9223846 QUGDMVXERZQNHV-UHFFFAOYSA-N 418.482 3.279 0 40 HGAB Cc1cc(O)c2c(C)c(CC(=O)NCc3nc(-c4ccccc4)no3)c(=O)oc2c1 9419041 PICIZTOYGNSJKE-UHFFFAOYSA-N 405.410 3.024 0 40 HGAB COc1cc2oc(=O)c(CC(=O)Nc3nc(CC(=O)O)cs3)c(C)c2cc1Cl 9547642 YQEZWGAUIPKXFI-UHFFFAOYSA-N 422.846 3.028 0 40 HGAB O=C(CN(Cc1ccco1)S(=O)(=O)c1ccccc1)N1CCCc2ccccc21 9995183 VPXZRHWYXMOZER-UHFFFAOYSA-N 410.495 3.450 0 40 HGAB CCOc1cc([C@H]2N[C@H](C(=O)O)CS2)ccc1OCc1cc(OC)ccc1OC 10130134 GKBXBIIXNGCBTH-JXFKEZNVSA-N 419.499 3.470 0 40 HGAB CCOC(=O)c1cccc(NC(=O)CN(c2ccccc2CC)S(C)(=O)=O)c1C 10442704 WFHNOAMRGRZWRW-UHFFFAOYSA-N 418.515 3.139 0 40 HGAB COc1cccc(CCC(=O)N2C[C@@H]3C[C@H]2C(=O)N3c2cc(Cl)ccc2OC)c1 11871132 WDKGDPDTQZXHCL-LPHOPBHVSA-N 414.889 3.306 0 40 HGAB Cc1ccc(N2C[C@H](c3nc4ccccc4n3CC(=O)N3CCCC3)CC2=O)cc1 12062148 IUJJEFQFAJPBET-GOSISDBHSA-N 402.498 3.488 0 40 HGAB CCCC(CCC)C(=O)NCCn1ncc2c(=O)n(Cc3cccc(C)c3)cnc21 12072222 HUXNXRHANOKEQH-UHFFFAOYSA-N 409.534 3.282 0 40 HGAB CCn1c(=O)oc2cc(S(=O)(=O)N(Cc3cccnc3)C3CC3)c(Cl)cc21 12222299 QISGGVVEIQMVKA-UHFFFAOYSA-N 407.879 3.016 0 40 HGAB C[C@H](NC(=O)CSc1nnc([C@@H]2COc3ccccc3O2)n1C)c1ccccc1 12772976 QDZFCDJNKJNCJC-KSSFIOAISA-N 410.499 3.297 0 40 HGAB CCCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)NCc1cccc(Cl)c1 12800913 RDPMKLBMPYKUPU-QFIPXVFZSA-N 411.889 3.345 0 40 HGAB COc1ccc([C@@H](C)NC(=O)[C@@H]2CC(=O)N(c3ccc(OC)c(OC)c3)C2)cc1F 12935639 RQKRMDNHAZZXPL-UKRRQHHQSA-N 416.449 3.082 0 40 HGAB CCOC(=O)N1CCN(c2nc(Nc3ccc(Cl)cc3)c3nccnc3n2)CC1 13010696 NSJRGSZPPRWTNT-UHFFFAOYSA-N 413.869 3.095 0 40 HGAB COc1ccc(F)cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2cccc(C)c2C)C1 13580601 UJRGOBXFWISDMU-MRXNPFEDSA-N 420.506 3.491 0 40 HGAB C[C@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)C(=O)Nc1ccccc1F 14094585 LOKPCNKVQAFFCL-LBPRGKRZSA-N 409.446 3.367 0 40 HGAB CC(=O)Nc1cc(C(=O)CSc2nnc(-c3ccncc3)n2C2CC2)ccc1O 14199717 UNTVDMOHGSCFRN-UHFFFAOYSA-N 409.471 3.314 0 40 HGAB COCCOc1ccc(C(F)(F)F)cc1NC(=O)Cn1c(=O)cnc2ccccc21 14596292 CHJQYWKHLPDZLJ-UHFFFAOYSA-N 421.375 3.079 0 40 HGAB CCN(Cc1ccccc1)C(=O)[C@H](C)N1CCC(C(=O)Nc2ccccc2O)CC1 15043593 GYQZXBGSOZIYKD-SFHVURJKSA-N 409.530 3.480 0 40 HGAB Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)N(C)CCOc1ccc(Cl)cc1 17287643 AQHUZKFMIXRRTD-QGZVFWFLSA-N 417.937 3.411 0 40 HGAB O=C(COc1ccccc1F)NCCn1ncc(-c2cnccn2)c1-c1cccs1 19350231 IBZXRDQUOMATTB-UHFFFAOYSA-N 423.473 3.403 0 40 HGAB O=C(COC[C@@H]1COc2ccccc2O1)N1CCC[C@H](COc2ccccc2F)C1 19375736 LTLLCSSJFBFCHA-ZWKOTPCHSA-N 415.461 3.300 0 40 HGAB O=C(c1ccccn1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)CN(CC1CCCCC1)CC2 19400066 FAIOMYREOLTCJO-OAQYLSRUSA-N 421.545 3.081 0 40 HGAB CCC(C)(C)n1nnnc1[C@@H](c1ccncc1)N1CCN(c2cccc(OC)c2)CC1 19499742 PUBNSXNTKHQXMQ-OAQYLSRUSA-N 421.549 3.133 0 40 HGAB COc1cccc(CN2CCO[C@@](Cc3cccc(-c4cccnc4)c3)(C(N)=O)C2)c1 19565387 YSBZYRZUYRKBHZ-RUZDIDTESA-N 417.509 3.056 0 40 HGAB CNC(=O)c1ccc(-c2ccc(CNS(=O)(=O)c3ccc(F)cc3)cc2)nc1C 19700727 QPQRLQRGJRZBHD-UHFFFAOYSA-N 413.474 3.034 0 40 HGAB COc1ccc(CNS(=O)(=O)Cc2ccc(Br)cc2)cc1OC 20110273 BRDNOHZJESACQM-UHFFFAOYSA-N 400.294 3.086 0 40 HGAB CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 20460285 MXELWOUWBMYLRA-IBGZPJMESA-N 406.479 3.406 0 40 HGAB CC(C)NC(=O)N[C@H]1C[C@@H](c2nc(-c3ccc(OC(F)(F)F)cc3)no2)N(C)C1 20464120 UXXLSWVYRUYTLE-JSGCOSHPSA-N 413.400 3.088 0 40 HGAB biogenic,in-vitro CCOC(=O)[C@@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@@H]1c1sccc1C 20802542 WVQOPVMWAGKGMZ-IRXDYDNUSA-N 413.499 3.168 0 40 HGAB O=C(CN(Cc1ccco1)S(=O)(=O)/C=C/c1ccccc1)NCc1cccs1 20924573 ZWRHGFOBWRAQKL-JLHYYAGUSA-N 416.524 3.460 0 40 HGAB O=S(=O)(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)c1ccc2ccccc2c1 23108131 BJEPEQBPKJUJTD-QFIPXVFZSA-N 414.502 3.331 0 40 HGAB COc1ccc(OC)c(CN2CCN([C@H](C(=O)N3CCCC3)c3ccccc3)CC2)c1 23257369 JVGWETOQUKWQNW-DEOSSOPVSA-N 423.557 3.185 0 40 HGAB O=C(CCc1nc(-c2ccsc2)no1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 23873233 BVFSNJVAXNBJQD-UHFFFAOYSA-N 424.526 3.010 0 40 HGAB CCOc1ccc(-c2nnc(CN3C(=O)N[C@@](C)(c4ccc(C)cc4)C3=O)o2)cc1 23882729 MNBUUDNLOTXPPE-QFIPXVFZSA-N 406.442 3.411 0 40 HGAB O=S(=O)(c1ccccc1Br)N1CCN(Cc2ccccc2F)CC1 24032719 KPAZIQJTSPMOPM-UHFFFAOYSA-N 413.312 3.095 0 40 HGAB Cc1ccc([C@H](OC[C@H](O)CN2C(=O)NC3(CCCC3)C2=O)c2ccccc2)cc1 24094623 BZJSAYGFSAHGQG-NHCUHLMSSA-N 408.498 3.327 0 40 HGAB O[C@H](CSc1nnnn1C[C@H]1CCCO1)Cn1c2ccccc2c2ccccc21 25063581 NCTBOYJUEYWCCH-JKSUJKDBSA-N 409.515 3.113 0 40 HGAB O=C(CCCN1C(=O)NC2(CCCC2)C1=O)Nc1ccc2c(c1)OC1(CCCC1)O2 25453295 SJBLZCARLHDTFP-UHFFFAOYSA-N 413.474 3.311 0 40 HGAB COCCn1c(SCC(=O)NCc2cccc(OC)c2)nnc1-c1ccccc1 25749340 HUUTWSUURFDSQZ-UHFFFAOYSA-N 412.515 3.009 0 40 HGAB CC(=O)[C@@H]1[C@@H](c2cccc(OCc3ccccc3)c2)NC(=O)N[C@@]1(O)C(F)(F)F 26503488 CGDZKQMYIUEJMC-LMMKCTJWSA-N 408.376 3.076 0 40 HGAB COc1ccc(OCC(=O)Nc2nc(-c3ccc(OC)c(OC)c3)ns2)cc1 27740003 YAIYVOAWAYVBAU-UHFFFAOYSA-N 401.444 3.248 0 40 HGAB CCCCNC(=O)C1CCN([C@H](C)C(=O)Nc2ccc(Br)cc2)CC1 29927059 NJOPBDILQCIDAK-CQSZACIVSA-N 410.356 3.404 0 40 HGAB COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)COc1ccc(C)c(C)c1 30751603 SCEFTUFSVQVYNI-UHFFFAOYSA-N 406.504 3.016 0 40 HGAB C[C@@H](NC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCC3)c1nc2ccccc2[nH]1 32738296 QUOBHCWLJAIOKU-CQSZACIVSA-N 401.470 3.490 0 40 HGAB CC(C)c1ccc(NC(=O)CSc2nnc(-c3cccs3)n2CC(N)=O)cc1 32895014 LJFPCYGPCIBPGY-UHFFFAOYSA-N 415.544 3.346 0 40 HGAB CN(C)C(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)CCc1ccccc1 35901625 BISWUUSSYMZAQK-FTOWTWDKSA-N 415.574 3.099 0 40 HGAB CCN(CC(=O)NC(C)C)C(=O)CN1CCc2sccc2[C@H]1c1cccs1 36394678 NLOWXXCCGLAQHK-FQEVSTJZSA-N 405.589 3.130 0 40 HGAB O=S(=O)(NCCCCN1CCO[C@@H](c2ccccc2)C1)c1ccc(F)cc1F 36700412 HREACJLTMVSBDG-LJQANCHMSA-N 410.486 3.097 0 40 HGAB COc1ccccc1N1CCN(C(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)CC1 38836198 KFNSUFDRIIACPT-FQEVSTJZSA-N 411.521 3.395 0 40 HGAB CN(C)S(=O)(=O)c1ccc(NC(=O)c2cc(F)cc(Br)c2)cc1 40129127 BVBSZMZGYOAJHS-UHFFFAOYSA-N 401.257 3.091 0 40 HGAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(NS(C)(=O)=O)c(Cl)c1 44947861 VGEDTDPOHHYPGY-LBPRGKRZSA-N 423.922 3.492 0 40 HGAB COC(=O)c1ccc2c(=O)n(-c3cccc(Cl)c3)c(N3CCSCC3)nc2c1 49006446 ONKUCKRKPBIVNV-UHFFFAOYSA-N 415.902 3.379 0 40 HGAB CSc1cccc(NC(=O)Cn2c(=O)n(CC(C)C)c(=O)c3sccc32)c1 57486070 ZCOZUGVTVZZOMO-UHFFFAOYSA-N 403.529 3.241 0 40 HGAB COc1cc(C(C)=O)ccc1OCC(=O)NC1CCN(Cc2cccc(C)c2)CC1 60845408 LVZZRJKIXKITJZ-UHFFFAOYSA-N 410.514 3.366 0 40 HGAB CCCn1cc(C(=O)N2CCC[C@@H](c3n[nH]cc3C(=O)N3CCCCCC3)C2)cn1 72344762 JOGCHXIZALHVEY-QGZVFWFLSA-N 412.538 3.052 0 40 HGAB CC(=O)Nc1cc(C(=O)N2CCC(CCN3C[C@H](C)O[C@H](C)C3)CC2)ccc1C 79022390 NHCJYOOQAJHWBR-HDICACEKSA-N 401.551 3.305 0 40 HGAB COCCN(CC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1)C(=O)OC(C)(C)C 79024577 VBXPKKYANUBTPK-UYAOXDASSA-N 419.566 3.039 0 40 HGAB CC(C)Cn1cc(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(N)=O)c(C(F)F)n1 89856694 ZAOPNLKLWCIYAZ-HNNXBMFYSA-N 418.448 3.176 0 40 HGAB CCC(CC)CN1CCC2(CC1)O[C@@H](C(=O)Nc1cccnc1C)Cn1ccnc12 96243897 UPHWPBGCJOSBOL-HXUWFJFHSA-N 411.550 3.351 0 40 HGAB COc1ccc(C2=NO[C@H]3C(=O)N(c4ccc(Cl)cc4Cl)C(=O)[C@@H]23)c(OC)c1 101358735 BLVGVUYRANKNAF-DOTOQJQBSA-N 421.236 3.303 0 40 HGAB C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O 102085699 NULPPYSPHVETMP-NROUSUPJSA-N 405.281 3.374 0 40 HGAB COC[C@@]1(N)[C@@H](S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1ccc(Br)cc1 218232410 ATAKWQYDVDUMEY-BZSNNMDCSA-N 410.333 3.041 0 40 HGAB Cc1ccccc1OC[C@@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 219258596 VLEDTPWRAUEXKV-SJORKVTESA-N 422.572 3.041 0 40 HGAB CCOC(=O)c1cccc(NC(=O)[C@@H](C)N(c2cccc(F)c2)S(C)(=O)=O)c1C 220484442 IXDIHJJROANEOQ-CQSZACIVSA-N 422.478 3.104 0 40 HGAB CC(C)n1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c1 223171280 PXLGOZXSKVUMJO-LEWJYISDSA-N 413.591 3.159 0 40 HGAB COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc3ccccc3c2)cc1OC 223254733 JQIMYRJUTWRMLM-UHFFFAOYSA-N 414.483 3.116 0 40 HGAB COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)c1ccc(Cl)cc1F 224145367 FOIOWGFQEYHTNY-UHFFFAOYSA-N 400.859 3.427 0 40 HGAB CN(C)S(=O)(=O)c1ccc(OCCNC(=O)c2ccc(C(C)(C)C)cc2)cc1 224195820 UCPUIDYFGQJUTH-UHFFFAOYSA-N 404.532 3.043 0 40 HGAB COCCCNC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)c(C)c1 224215214 IUKXYXWIRKOVAR-UHFFFAOYSA-N 410.923 3.240 0 40 HGAB COC(=O)c1ccc(CS(=O)(=O)NCCOc2ccc(C(C)(C)C)cc2)cc1 224344349 TYSUFNPRGJKGHH-UHFFFAOYSA-N 405.516 3.269 0 40 HGAB CS(=O)(=O)N1C[C@@H](C(=O)Nc2ccc3c4c(cccc24)CC3)Oc2ccccc21 224390283 BPKQREHJSIJMHH-FQEVSTJZSA-N 408.479 3.104 0 40 HGAB CCC(=O)N1CCc2cc(S(=O)(=O)N[C@H](C)c3cc(OC)ccc3OC)ccc21 225391381 DTAKURCVNFFLBC-CQSZACIVSA-N 418.515 3.042 0 40 HGAB Cn1nc(-c2ccccc2NC(=O)c2cc(OCc3ccccc3)ncn2)ccc1=O 225534941 FTIPXSFCUDPJEN-UHFFFAOYSA-N 413.437 3.069 0 40 HGAB CC[C@H](NC(=S)Nc1cccc(C(=O)OC)c1)c1ccc(S(C)(=O)=O)cc1 225724639 KJNGMWWBPRDUCT-KRWDZBQOSA-N 406.529 3.314 0 40 HGAB CCOC(=O)[C@]1(N)[C@@H](c2ccc(CC)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 242495921 GSQPJTPCJRDGDB-NSHGMRRFSA-N 407.919 3.103 0 40 HGAB COc1ccccc1OC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)cc1 250392107 DTSMBWAPYBXECV-NSZLKXBBSA-N 415.445 3.472 0 40 HGAB O=S(=O)(Cc1ccccc1)N1CCO[C@@H](c2ccc(Nc3ccccn3)cn2)C1 257225145 FFAUHGBHAYXNON-HXUWFJFHSA-N 410.499 3.124 0 40 HGAB Cc1c(NC(=O)CN2CCCCC[C@@H]3N[C@H](Cc4ccccc4)C[C@@]32C)cnn1C 257253897 KASVZPFDCUFXOW-SFLYRZDNSA-N 409.578 3.275 0 40 HGAB NC(=O)C[C@]1(COc2ccccc2)CCCN(S(=O)(=O)c2cccc(Cl)c2)C1 257342054 ZMWLSJPACMZORP-HXUWFJFHSA-N 422.934 3.065 0 40 HGAB Cc1ccsc1C(=O)N1CCC2(CC1)CN(C)Cc1nnc(-c3cccs3)n12 306127238 FSUXRJCDMXSHII-UHFFFAOYSA-N 413.572 3.453 0 40 HGAB COc1ccccc1NC(=O)COC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2C)C1 408654894 GYHFOZJJFSBQQB-AWEZNQCLSA-N 416.861 3.192 0 40 HGAB O=C(NCc1ccccc1CN1CC[C@H](O)C1)c1cccnc1Nc1ccccc1F 541055165 RWKRBKXYKXVZMQ-IBGZPJMESA-N 420.488 3.461 0 40 HGAB Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3cccc(C(=O)NC(N)=O)c3)cc12 549198598 OOGJQASGLBNJBZ-UHFFFAOYSA-N 419.466 3.456 0 40 HGAB O=C(NC[C@H](c1cccs1)n1cccn1)C(=O)Nc1ccccc1C(F)(F)F 575613515 IGUHEBHIOOWEHR-CQSZACIVSA-N 408.405 3.308 0 40 HGAB Cn1c(CNC(=O)c2cccs2)nnc1SCC(=O)Nc1cccc(Cl)c1 633997 BQIYWFUQXZICPV-UHFFFAOYSA-N 421.935 3.191 0 40 HGAB Cn1ncc(Br)c1C(=O)OCC(=O)Nc1nc(-c2ccccc2)cs1 997362 TYZJNVUYIBALKC-UHFFFAOYSA-N 421.276 3.102 0 40 HGAB COc1ccccc1/C=C/C(=O)N1CCC2(CC1)C(=O)N(C)CN2c1ccccc1 1664530 PVROZNLUPRWLFT-OUKQBFOZSA-N 405.498 3.006 0 40 HGAB CC(C)c1ccc(/C=c2\sc3nc(=O)c(Cc4ccccc4Cl)nn3c2=O)cc1 2258581 VBXRJLWMCLFCGJ-ODLFYWEKSA-N 423.925 3.427 0 40 HGAB CN(C)CCn1c(=O)n(-c2ccc(F)cc2)c(=O)c2c3c(sc21)CCCCC3 2327253 VJROQSKYHUPDFK-UHFFFAOYSA-N 401.507 3.184 0 40 HGAB Cc1cc(C(=O)CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)c(C)n1C 2620452 RACLYBDBFHZURB-UHFFFAOYSA-N 401.466 3.320 0 40 HGAB O=C(CNC(=O)c1ccc(Br)o1)OCc1ccc(Br)cc1 3328954 HXHGOIHIVJXPNP-UHFFFAOYSA-N 417.053 3.278 0 40 HGAB CC(C)COC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OCC(C)C)[C@@H]1c1cccc(F)c1 4899394 MOBZJTQVGSXGLX-URFJDIBFSA-N 422.493 3.264 0 40 HGAB CCS(=O)(=O)c1ccc(O)c(NS(=O)(=O)c2cccc(C(F)(F)F)c2)c1 6623236 FTFQTGLOUXTQFU-UHFFFAOYSA-N 409.407 3.005 0 40 HGAB CCn1c(=O)n(-c2cccc(Cl)c2C)c(=O)c2c3c(sc21)CN(C(C)=O)CC3 6805074 ZUQFTBKTKSDFDQ-UHFFFAOYSA-N 417.918 3.100 0 40 HGAB CCOc1cc([C@@H]2NC(N)=Nc3nc4ccccc4n32)cc(Br)c1OC 7126201 ACDPTBYAQMKWDV-MRXNPFEDSA-N 416.279 3.302 0 40 HGAB CCCCCC(=O)Nc1ccc(C(=O)COC(=O)c2cccc(-n3cnnn3)c2)cc1 7735258 HPSQKQKBZOQDAX-UHFFFAOYSA-N 421.457 3.221 0 40 HGAB COC(=O)CCn1c(S[C@H](C)C(=O)c2ccc(F)cc2)nc2ccccc2c1=O 7938496 VGEDLGPCGWATDA-CYBMUJFWSA-N 414.458 3.462 0 40 HGAB C[C@H]1Cc2cc(C(=O)N(C)Cc3c(F)cccc3Cl)ccc2N1S(C)(=O)=O 8314244 SCUSNEIZLQHRKO-LBPRGKRZSA-N 410.898 3.462 0 40 HGAB CC1=CC[C@H]2C(=O)N(c3ccccc3C(=O)Nc3cccc(C(=O)O)c3)C(=O)[C@H]2C1 8472807 SXMPHKCHDHPZAQ-AEFFLSMTSA-N 404.422 3.483 0 40 HGAB CN(C)[C@@H](CNC(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1)c1ccsc1 8863670 BCCFFJCXRXMGPK-AWEZNQCLSA-N 401.410 3.004 0 40 HGAB COc1ccccc1/C=C1\SC(=O)N(CC(=O)Nc2ccc3nccnc3c2)C1=O 8991797 OUXMRBIPSWHBNM-ZDLGFXPLSA-N 420.450 3.313 0 40 HGAB CS(=O)(=O)N(CCCC(=O)Nc1ccc2c(c1)OCCO2)c1ccc(Cl)cc1 9226325 MRFCVHIBVAYROH-UHFFFAOYSA-N 424.906 3.296 0 40 HGAB CC[C@H](C(=O)Nc1cc(=O)[nH]c2nc(COc3ccccc3)nn12)c1ccccc1 9317325 CALYWOYBMROUOV-KRWDZBQOSA-N 403.442 3.129 0 40 HGAB Cc1ccc(S(=O)(=O)NCCC(=O)Nc2nc3ccc(F)cc3s2)cc1C 9514798 VIYPESIJPBBZGG-UHFFFAOYSA-N 407.492 3.359 0 40 HGAB O=C(c1cccnc1)N1C(=O)c2cccc3c(S(=O)(=O)N4CCCCC4)ccc1c23 10382234 RAXRTNSSGRTWPH-UHFFFAOYSA-N 421.478 3.210 0 40 HGAB CCCN(CC(=O)Nc1ccccc1C)C(=O)COC(=O)Cc1c[nH]c2ccccc12 10634725 HFLCKMAFRRMLTO-UHFFFAOYSA-N 421.497 3.439 0 40 HGAB O=C(CNc1ccc(Br)cc1)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1 11113344 LBRZCWZUSGJGQI-KRWDZBQOSA-N 423.332 3.081 0 40 HGAB O=C(NC1CCN(C(=O)c2ccco2)CC1)c1ccc(OCc2cscn2)cc1 11530198 VVFHFOSASCYTPF-UHFFFAOYSA-N 411.483 3.350 0 40 HGAB Cc1nccn1C[C@H](C)C(=O)N1CCC[C@@H](c2nc3ccc(F)cc3cc2C(N)=O)C1 12088395 CKFUGNLHVXYDSW-GOEBONIOSA-N 423.492 3.020 0 40 HGAB O=C(c1cc(N2CCCCS2(=O)=O)ccc1Cl)N1CCc2ccccc2C1 12195439 YVEWLKIUDOCAFG-UHFFFAOYSA-N 404.919 3.469 0 40 HGAB COc1cc(C(=O)NCCc2nc3ccccc3[nH]2)cc(OC)c1Br 12525530 IPKATSNPRWNRLI-UHFFFAOYSA-N 404.264 3.315 0 40 HGAB CC1CCN(CCCNC(=O)c2ccc(CN3C(=O)c4ccccc4C3=O)cc2)CC1 12794258 AGSFIDRZLIXURM-UHFFFAOYSA-N 419.525 3.335 0 40 HGAB CN(c1ccc(OCC(=O)Nc2ccccc2O)cc1)S(=O)(=O)c1cccs1 12913998 VVIHKCOKHRCNAE-UHFFFAOYSA-N 418.496 3.296 0 40 HGAB O=C([C@@H](c1ccccc1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2)N1CCOCC1 12983830 FNNGHTLITBJVNC-NFBKMPQASA-N 408.498 3.195 0 40 HGAB Cc1cc(-c2cc(=O)n([C@@H](C)C(=O)NCc3cccs3)nc2-c2ccco2)on1 13226178 YZZYRYFZYKIQEB-ZDUSSCGKSA-N 410.455 3.406 0 40 HGAB O=C(Nc1cccc(F)c1)C1CCN(S(=O)(=O)CCCc2ccccc2)CC1 13680848 WQHQHNIHYOEETF-UHFFFAOYSA-N 404.507 3.439 0 40 HGAB Cc1n[nH]c(C)c1NC(=O)c1cccc(NC(=O)Cc2ccc3oc(=O)oc3c2)c1 14404668 ZZPFGPTZDXCBCP-UHFFFAOYSA-N 406.398 3.159 0 40 HGAB COc1ccccc1[C@@H](C)NC(=O)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1 15472070 IAJKIJYHVUYZHO-OAHLLOKOSA-N 420.506 3.500 0 40 HGAB CC(=O)Oc1ccccc1-c1nc2s/c(=C\c3ccc(C(C)C)cc3)c(=O)n2n1 16737005 SACQUOZXAPVKBV-UNOMPAQXSA-N 405.479 3.414 0 40 HGAB C[C@@H](Oc1ccccc1F)C(=O)Nc1nnc(S(=O)(=O)Cc2ccccc2)s1 17045432 BBSSYYGRBSDWGA-GFCCVEGCSA-N 421.475 3.057 0 40 HGAB CCCCN1C(=O)[C@@H]([C@H]2c3ccccc3C(=O)N2Cc2ccccc2)C(=O)N=C1S 17056336 BYYAVTYYLLWXRL-RBUKOAKNSA-N 421.522 3.455 0 40 HGAB O=C(Cc1cccc(F)c1)N1CCC(c2cc(C(F)(F)F)n3ncnc3n2)CC1 19293692 TUTBBMFCEGDURE-UHFFFAOYSA-N 407.371 3.231 0 40 HGAB Cc1noc2nc([C@@H]3CCCN(C(=O)c4cnc(N(C)C)nc4)C3)cc(C(F)F)c12 19564239 XQWJQSLKIDXGQE-GFCCVEGCSA-N 416.432 3.345 0 40 HGAB CN(C)c1ncc(-c2ccc(N)nc2)c(C2CCN(C(=O)Cc3ccccc3)CC2)n1 19694833 XDUVHUBUAVVTRH-UHFFFAOYSA-N 416.529 3.136 0 40 HGAB O=C(CS(=O)(=O)c1ccc(Br)cc1)c1cc2ccccc2oc1=O 19822969 ZYKTUIRLJDPRGN-UHFFFAOYSA-N 407.241 3.212 0 40 HGAB O=C1c2ccccc2C(=O)N1CCCN1CCN(Cc2c(F)cccc2Cl)CC1 19834506 KEBPXBXIHKWHPJ-UHFFFAOYSA-N 415.896 3.283 0 40 HGAB CN1CCN(C[C@H](O)Cn2c3ccccc3c3cc(Br)ccc32)CC1 19891730 HENAKKLFJXLKOJ-INIZCTEOSA-N 402.336 3.165 0 40 HGAB CCC(C)(C)n1nnnc1[C@H](C(C)C)N1CCN(Cc2ccc3c(c2)OCO3)CC1 20139878 AHYKQSXMPUJDSR-FQEVSTJZSA-N 414.554 3.062 0 40 HGAB COc1ccc(NC(=O)CCC(=O)N2CCc3[nH]c4ccccc4c3C2)c(OC)c1 20762996 FIGWUIVEPVXTCS-UHFFFAOYSA-N 407.470 3.489 0 40 HGAB biogenic CCN1CCc2nc(NC(=O)COc3ccc(F)cc3Br)sc2C1 21294440 BABNNWSCACAMRV-UHFFFAOYSA-N 414.300 3.440 0 40 HGAB CC(C)NS(=O)(=O)c1ccc(CCNC(=O)c2cccc(C(F)(F)F)c2)cc1 22227297 LKODRAGUAGOEFB-UHFFFAOYSA-N 414.449 3.365 0 40 HGAB CCOc1ccccc1NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cc(OC)ccc1C 22229910 MAFHURLKDNKGIC-SFHVURJKSA-N 418.515 3.194 0 40 HGAB CC[C@@H](NC(=O)CN(c1cccc(C)c1C)S(C)(=O)=O)c1ccc(OC)cc1 22340944 SJKKWQJEBYCVBV-LJQANCHMSA-N 404.532 3.346 0 40 HGAB COc1ccccc1CCNC(=O)Cc1cc(O)nc(SCc2ccccc2)n1 23137941 FEOYELFNTDXTDF-UHFFFAOYSA-N 409.511 3.385 0 40 HGAB O=C(CCNC(=O)c1ccc2ccccc2c1)NCCN1CCc2ccccc2C1 24915949 ABXPAUQETORPGV-UHFFFAOYSA-N 401.510 3.134 0 40 HGAB C[C@H]1Oc2ccc(NC(=O)c3cc(-c4ccc5c(c4)OCCO5)on3)cc2NC1=O 28291051 UECWCGZYELEUCU-LLVKDONJSA-N 407.382 3.085 0 40 HGAB O=C(N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21)C1(c2ccccc2)CC1 30063108 BEJKJGURVJYIBT-UHFFFAOYSA-N 410.539 3.482 0 40 HGAB COc1ccc([C@H]2CCCN2S(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1 30495662 UDMJUKHYEWPPJE-HXUWFJFHSA-N 400.500 3.348 0 40 HGAB O=C1Cc2cc(NS(=O)(=O)c3ccc(Br)cc3)c(Cl)cc2N1 32094857 GKEKMFJNBDSEQL-UHFFFAOYSA-N 401.669 3.398 0 40 HGAB Cc1cccc2c(=O)n(CCCC(=O)N[C@@H]3CCCN(Cc4ccccc4)C3)cnc12 32912079 JNYXSSIQONWVBN-OAQYLSRUSA-N 418.541 3.266 0 40 HGAB Cc1ccccc1C(=O)NCCn1ncc2c(NCCc3ccccc3)ncnc21 35590577 CCKRDFUUIJEUHD-UHFFFAOYSA-N 400.486 3.219 0 40 HGAB Cc1ccc2ncc(C(=O)NCc3ccccc3CN3CCCC[C@H]3C)c(=O)n2c1 36394104 MNJGNKMXCLGFMG-GOSISDBHSA-N 404.514 3.307 0 40 HGAB COc1cc(C)c(S(=O)(=O)Nc2ccc(Cn3ccccc3=O)cc2)cc1OC 40135025 CCRDFCMCRQOBBT-UHFFFAOYSA-N 414.483 3.023 0 40 HGAB COc1cccc(-c2ccc(=O)n(CC(=O)Nc3nc4ccc(OC)cc4s3)n2)c1 44890899 GMUNSMLMJBCPTN-UHFFFAOYSA-N 422.466 3.176 0 40 HGAB Cc1cc(C)n(-c2ccc(NC(=O)c3ccccc3N(C)S(C)(=O)=O)cc2F)n1 55716834 PHHOYVPFNKHTMW-UHFFFAOYSA-N 416.478 3.276 0 40 HGAB COc1cccc(N2CCN(CC(=O)N3CCc4[nH]c5ccccc5c4C3)C[C@@H]2C)c1 57054223 UZNWOOZQQLYNAH-SFHVURJKSA-N 418.541 3.272 0 40 HGAB CCc1cc(=O)n(CC(=O)Nc2cccc(NC(C)=O)c2)c(-c2cccc(F)c2)n1 57508302 KXJADWTVMPKUQQ-UHFFFAOYSA-N 408.433 3.209 0 40 HGAB O=C(c1nc(-c2cccs2)n(-c2ccccc2)n1)N1CCC(n2cncn2)CC1 62580523 KIRKPYSMXWKSFF-UHFFFAOYSA-N 405.487 3.065 0 40 HGAB Cc1nc(-c2ccccc2)n(CC(=O)NCc2ccc(C(C)C)cc2)c(=O)c1CCO 67300436 QNUIAUYCVWATKP-UHFFFAOYSA-N 419.525 3.193 0 40 HGAB Cc1cc(-c2cnc(N)nc2C2CCN(C(=O)c3ccc(N(C)C)cc3)CC2)on1 72353530 NFDOWKWMWRNFHH-UHFFFAOYSA-N 406.490 3.108 0 40 HGAB O=S(=O)(c1ccc(F)cc1)N1CCCC[C@H]1c1ccnc(Nc2ncccn2)n1 72377718 LROTWIKUUDBTGR-KRWDZBQOSA-N 414.466 3.065 0 40 HGAB COc1ccccc1C(=O)NC(=S)Nc1cc(C(=O)O)ccc1Br 85342848 WNQSMEXOOXPLTD-UHFFFAOYSA-N 409.261 3.283 0 40 HGAB COC(=O)c1ccc(C(=O)NCc2nn(C3CCCC3)c(=O)c3ccccc23)cc1 90504269 JGVULAAPYXZVPZ-UHFFFAOYSA-N 405.454 3.228 0 40 HGAB CC(C)Sc1ccc(CC(=O)N2CCCSC[C@@H]2CN2CCOCC2)cc1 90609149 WLFYSNDLIZPGNQ-IBGZPJMESA-N 408.633 3.396 0 40 HGAB COC(=O)N[C@H](C(=O)N1CCCN(c2ccc(Cl)c(Cl)c2)CC1)C(C)C 95453076 SYHZKOKDSZSOGO-INIZCTEOSA-N 402.322 3.413 0 40 HGAB O=C(O)c1cnn([C@@H]2CCCN(C(=O)C3(c4cccc(Cl)c4)CCOCC3)C2)c1 95982559 OKVPLRUTRSEKMN-GOSISDBHSA-N 417.893 3.147 0 40 HGAB O=C(CCCn1nnc2ccccc2c1=O)N[C@H]1CCCc2c1[nH]c1ccccc21 96223081 VFBGFIPJLOCBRQ-FQEVSTJZSA-N 401.470 3.247 0 40 HGAB CC(=O)N1CCc2ccccc2[C@@H]1/C(C(=O)Nc1ccccc1F)=C(\O)NC=S 101039859 CCEFDIJUYHMVKR-LFVOPCPISA-N 413.474 3.227 0 40 HGAB O=C1C(=O)N(c2ccc(Cl)cc2Cl)C(=O)C(=O)C1c1nc2ccccc2s1 102951798 QILGRYDPBBVBBE-UHFFFAOYSA-N 419.245 3.398 0 40 HGAB O=C(Nc1ccccc1OC(F)F)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO 107357553 RFSJONJVHKYTDY-SJORKVTESA-N 405.445 3.293 0 40 HGAB COc1ccc(CCNc2ccc(S(=O)(=O)NC3CCCC3)cc2C(=O)O)cc1 217576470 KSBAAXCOLIAALI-UHFFFAOYSA-N 418.515 3.269 0 40 HGAB CCOC(=O)c1ccc(NC(=O)c2ccc(N(CC)S(=O)(=O)CC)cc2)cc1 222390550 RSNQFCBEGSUXNJ-UHFFFAOYSA-N 404.488 3.292 0 40 HGAB CCOc1ccc(NC(=O)[C@H](CC)Oc2ccc(N(C)S(C)(=O)=O)cc2)cc1 223139984 QUUJPECJYKCKJI-IBGZPJMESA-N 406.504 3.277 0 40 HGAB CC(=O)N(Cc1ccc(F)cc1)[C@@H](Cc1ccccc1)C(=O)NCc1ccccn1 223191237 NFNYKEQEFFKKDS-QHCPKHFHSA-N 405.473 3.497 0 40 HGAB Cc1cc(NC(=O)[C@@H](c2ccccc2)N(C)S(C)(=O)=O)ccc1Br 224528395 XYROAKWVFUUPPA-MRXNPFEDSA-N 411.321 3.329 0 40 HGAB COC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(OC)cc1 224855580 QHUSGOZXKGGWRW-UHFFFAOYSA-N 404.271 3.370 0 40 HGAB COc1ccccc1[C@H](C)NC(=O)CN(c1ccc(OC(C)C)cc1)S(C)(=O)=O 224989350 HGQIXANQKJPZMR-INIZCTEOSA-N 420.531 3.126 0 40 HGAB COC(=O)c1cc(OC)c(OC)cc1N(C)S(=O)(=O)c1ccc(SC)cc1 224995514 YEPBADMKUYYXFB-UHFFFAOYSA-N 411.501 3.037 0 40 HGAB COc1ccccc1N1CCN(C(=O)c2c(-c3ccccc3)noc2[C@H](C)O)CC1 225439192 GWVUKZPHZKFKRV-INIZCTEOSA-N 407.470 3.366 0 40 HGAB biogenic,in-vitro CCCn1c(=O)sc2cc(S(=O)(=O)NCCSC3CCCC3)ccc21 225736927 DIPZROVYQLAHTE-UHFFFAOYSA-N 400.591 3.427 0 40 HGAB Cc1ccc(Cl)cc1N1CCN(C(=O)CCc2nc(-c3cccnc3)no2)CC1 225834958 HDHSQWMVOVONAH-UHFFFAOYSA-N 411.893 3.375 0 40 HGAB CCS(=O)(=O)N1C[C@H](C(=O)N[C@H](C)c2ccc(C)cc2C)Oc2ccccc21 250246670 PLPXYVDMQMXNDE-OXQOHEQNSA-N 402.516 3.098 0 40 HGAB CO[C@H]1CC[C@H](C(=O)N2CCC[C@@H]2C(=O)c2cnn(-c3ccc(C)cc3)c2N)CC1 257279888 OIOGGBCIBMICTG-YVWKXTFCSA-N 410.518 3.142 0 40 HGAB CN(c1cccc(C(=O)NC[C@H]2CCCO2)c1)S(=O)(=O)c1ccc(Cl)cc1 260561611 LGKKMJSYXGIXPX-QGZVFWFLSA-N 408.907 3.074 0 40 HGAB CCc1ccc(N([C@H](C)C(=O)NCCOc2cc(C)ccc2C)S(C)(=O)=O)cc1 260890711 QKCSCWGIAXBIKK-GOSISDBHSA-N 418.559 3.216 0 40 HGAB Cc1csc(CN2CCO[C@@]3(CCCC[C@H]3NC(=O)c3scnc3C)C2)n1 306126765 FETFAZODBLIRHB-BEFAXECRSA-N 406.577 3.160 0 40 HGAB Cc1onc(-c2ccccc2Cl)c1C(=O)NCC1CCN(C(=O)N(C)C)CC1 390831835 VIQRNACRUPMBBX-UHFFFAOYSA-N 404.898 3.427 0 40 HGAB Cc1cc(C)cc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3)C2)c1 409137914 XFERTUVUJIBDII-HNNXBMFYSA-N 400.862 3.492 0 40 HGAB O=C(N[C@@H]1CCC[C@@H]1Cc1ccccc1)C(=O)N(CCO)[C@H]1CCc2ccccc21 502951920 VKXBOWQEPFASSI-MZYLBHOOSA-N 406.526 3.022 0 40 HGAB COc1ccc2cc(NC(=O)CCCn3c(O)nc4ccccc4c3=O)cnc2c1 524732606 DPGQAZFHPHJMKE-UHFFFAOYSA-N 404.426 3.078 0 40 HGAB O=C1CCCCN1C[C@@H]1CCC2(CN(C(=O)C34CC5CC(CC(C5)C3)C4)C2)OC1 575403089 INPFWXNSXHTLEJ-JLEDNIFVSA-N 400.563 3.223 0 40 HGAB Cc1cccc(CN2CC[C@@]3(CCCN(C(=O)Cc4cccc(F)c4F)C3)C2=O)n1 585100950 KTOZRNAPHUYURI-HSZRJFAPSA-N 413.468 3.252 0 40 HGAB Cc1nc(Nc2ncc(C)s2)cc([C@@H]2CCN(C(=O)/C=C/c3cnn(C)c3)C2)n1 585291069 JDNFSJSKYJWEMM-DWTRPJMMSA-N 409.519 3.056 0 40 HGAB O=C(c1ccc(C(F)(F)F)nc1)N1CC[C@H](c2ccccc2F)S(=O)(=O)CC1 585395810 RDNHPMLPQFHEKJ-OAHLLOKOSA-N 416.396 3.242 0 40 HGAB O=C1COc2ccc(S(=O)(=O)N3CCC[C@H](c4cc5ccccc5[nH]4)C3)cc2N1 615264435 ROINZIWPMAIEQV-HNNXBMFYSA-N 411.483 3.067 0 40 HGAB CCCCN1CCC2(CCCCCOC[C@@H](C)NC(=O)[C@H](CC(C)C)NC2=O)CC1 643581464 CMOIYIYLVZQCCE-RTWAWAEBSA-N 423.642 3.495 0 40 HGAB C[C@@H]1CN(CCSc2nc3ccccc3c(=O)n2-c2ccc(F)cc2F)CCO1 1640644748 KPYNKYSZLGHQRT-CQSZACIVSA-N 417.481 3.477 0 40 HGAB C[C@H]1C[C@@H]2[C@@H](CC(=O)N2Cc2ccccc2)[C@@H]1CNC(=O)CC(C)(C)CC(=O)O 1775964186 VUXSRNJCABBIFS-GDAAHCPNSA-N 400.519 3.067 0 40 HGAB biogenic,in-vitro Cc1cc(C)n(-c2cc(N3CCN(c4ccnc(C(F)(F)F)c4)CC3)ncn2)n1 1889149194 ATNJORHVHXUFNJ-UHFFFAOYSA-N 403.412 3.020 0 40 HGAB O=C(COC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1)c1ccc(Br)cc1 990244 ADYKOLJRHRNVEU-ZDUSSCGKSA-N 420.234 3.367 0 40 HGAB CCOC(=O)c1c(N)n(Cc2cccc(OC)c2OC)c2nc3ccccc3nc12 2288580 NGXKXZUERNQSIL-UHFFFAOYSA-N 406.442 3.409 0 40 HGAB O=C(NCc1ccc2c(c1)OCO2)[C@@H]1Cc2ccccc2CN1C(=O)c1ccccc1 3411572 JLWJKVFMEIKCRP-NRFANRHFSA-N 414.461 3.299 0 40 HGAB CCn1c(SCC(=O)Nc2ccc(OC)cc2OC)nc2c(c1=O)S[C@@H](C)C2 4107879 FBRATFMLGVMYPS-NSHDSACASA-N 421.544 3.048 0 40 HGAB COc1cc(C(=O)NCc2nc(-c3ccc(Cl)cc3)no2)cc(OC)c1OC 4502217 GDPQUMPAGVPQJD-UHFFFAOYSA-N 403.822 3.346 0 40 HGAB COCCn1ccc2c(OCC(=O)Nc3cc(Cl)ccc3OC)cccc2c1=O 4584341 LTHFIZMBCTZMFH-UHFFFAOYSA-N 416.861 3.327 0 40 HGAB Cc1ccccc1C(=O)NC(=S)Nc1ccc(S(=O)(=O)NC(C)(C)C)cc1 4676584 RKIQDMUEVJMSMF-UHFFFAOYSA-N 405.545 3.199 0 40 HGAB Cn1c(=O)oc2cc(S(=O)(=O)N(Cc3ccco3)C(=O)C3CCCCC3)ccc21 5015536 PHYUMESBITWVEP-UHFFFAOYSA-N 418.471 3.022 0 40 HGAB O=C(CSc1nnc2c(n1)[nH]c1ccccc12)Nc1ccc(N2CCOCC2)cc1 6191287 MWLIYJVWZVZLIR-UHFFFAOYSA-N 420.498 3.074 0 40 HGAB CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2nc(-c3ccccn3)cs2)c1 6346742 BSJIULQYPGNRAQ-UHFFFAOYSA-N 422.919 3.361 0 40 HGAB CC[C@H](C)c1ccccc1N1C[C@H](C(=O)Nc2ccc(-n3cnnn3)cc2)CC1=O 6553464 CCNPOJSKXBOUBY-JKSUJKDBSA-N 404.474 3.167 0 40 HGAB CSc1nc(C)c(CCC(=O)OCc2cc(=O)oc3cc(O)ccc23)c(C)n1 7436935 TUFLXUQWZQSDCK-UHFFFAOYSA-N 400.456 3.303 0 40 HGAB COCCCNS(=O)(=O)c1ccc(NC(=O)c2ccccc2Cl)c(F)c1 8810340 WNSCVYVTYNJFCL-UHFFFAOYSA-N 400.859 3.046 0 40 HGAB COc1ccc(-c2nnc3s/c(=C\c4ccc(SC)cc4)c(=O)n23)cc1OC 9187935 DEADBNPZRXATTQ-YVLHZVERSA-N 411.508 3.105 0 40 HGAB COc1ccc2c(COC(=O)COc3ccc4c(C)cc(=O)oc4c3)cc(=O)oc2c1 9385107 SSUNSFPYVYDYOG-UHFFFAOYSA-N 422.389 3.339 0 40 HGAB O=S1(=O)C[C@@H]2[C@H](C1)N=C(SCc1ccccc1)N2CCc1ccc(F)cc1 9484789 UEJMLSQGFYAHNE-RBUKOAKNSA-N 404.532 3.139 0 40 HGAB CN(CC(=O)Nc1ccc(Oc2ccccc2)cc1)C1=NS(=O)(=O)c2ccccc21 9588095 HNLLMSMBFWFXME-UHFFFAOYSA-N 421.478 3.498 0 40 HGAB Cc1cc2ccccc2n1CC(=O)OCC(=O)Nc1cc(Cl)ccc1-n1cncn1 10622123 QKTVZQQHPQPJEN-UHFFFAOYSA-N 423.860 3.366 0 40 HGAB CC(C)(C)NC(=O)C1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CC1 10692988 TWNWCJGJFRUDPP-UHFFFAOYSA-N 407.363 3.450 0 40 HGAB COc1cc(N)c(Cl)cc1C(=O)OCC(=O)Nc1ccc2c(c1)OC(F)(F)O2 11457446 LFHUQUCUJAIKOX-UHFFFAOYSA-N 414.748 3.048 0 40 HGAB O=C(CSc1ccc(NC(=O)c2ccccc2F)nn1)NCc1cccs1 11738930 RJMUNYRSTXNRCG-UHFFFAOYSA-N 402.476 3.338 0 40 HGAB CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(N3CCCC3)cc2C)C1=O 11765621 YIKAMCDJDSPIOO-XMMPIXPASA-N 420.513 3.391 0 40 HGAB CCOc1ccc(N(C(=O)CNc2ccccc2C)[C@H]2C=CS(=O)(=O)C2)cc1 11903767 GBGDKKDTLPGQII-SFHVURJKSA-N 400.500 3.150 0 40 HGAB Cc1cc(-c2cnc(C)nc2C2CCN(C(=O)Cc3ccc4c(c3)OCO4)CC2)on1 12127758 GGYSIECHBQCHNG-UHFFFAOYSA-N 420.469 3.426 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCN(c3cc(Oc4ccccc4)nc(C)n3)CC2)cc1 12225055 YLDJELDGZMKTOY-UHFFFAOYSA-N 424.526 3.397 0 40 HGAB Cc1cccc(NC(=O)Cn2c(=O)c3c(C)cc(C)nc3n(-c3ccccc3)c2=O)c1 12462826 RRTHXLZNIBCHNN-UHFFFAOYSA-N 414.465 3.111 0 40 HGAB Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)c1C 12604854 ZCVFVQVVZYAMOY-UHFFFAOYSA-N 408.545 3.261 0 40 HGAB Cc1cc(C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)c(C)n1Cc1ccco1 12762958 IMBCYEIOISPJKA-UHFFFAOYSA-N 401.488 3.249 0 40 HGAB C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)NCCCN1C(=O)NC2(CCCC2)C1=O 12947283 IXBGHZMFRJIPRD-AWEZNQCLSA-N 406.914 3.297 0 40 HGAB C[C@H](NC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1)c1ccccc1Br 12974175 NCAICXCIYDXCNI-LBPRGKRZSA-N 423.332 3.381 0 40 HGAB Cc1ccc(CCC2CCN(C(=O)CNC(=O)c3ccc4c(c3)OCO4)CC2)cc1 13007298 PXFBDAUGBFXKBI-UHFFFAOYSA-N 408.498 3.325 0 40 HGAB CC[C@@H](C(=O)Nc1cccc(C(=O)OC)c1C)N(c1ccc(F)cc1)S(C)(=O)=O 13715691 DQXBHGVPPUNURN-SFHVURJKSA-N 422.478 3.104 0 40 HGAB O=C(CN1c2cccc3cccc(c23)S1(=O)=O)Nc1cccc(N2CCCC2=O)c1 14196851 QWQUSHMSOWNEDU-UHFFFAOYSA-N 421.478 3.114 0 40 HGAB COc1cccc(CNC(=O)C[C@@H]2CCCCN2S(=O)(=O)c2ccc(C)cc2)c1 15390838 ALXHAPKMOQOXDL-IBGZPJMESA-N 416.543 3.253 0 40 HGAB CS(=O)(=O)NCCc1ccc(C(=O)OCc2cc3ccccc3nc2Cl)s1 15513120 ZGYLQSATLWGZNJ-UHFFFAOYSA-N 424.931 3.398 0 40 HGAB COc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](C)CCc2ccccc2)cc1Cl 16576302 QKCOGTJHYHDWJE-HNNXBMFYSA-N 424.950 3.107 0 40 HGAB CSc1cccc(NC(=O)CCc2csc(NC(=O)c3ccc[nH]c3=O)n2)c1 16851244 OUDCAJXKXCKQGW-UHFFFAOYSA-N 414.512 3.377 0 40 HGAB COc1cccc(N2CCN([C@H]3CC(=O)N(c4cccc5ccccc45)C3=O)CC2)c1 18249402 YQJFVIQUEDCEIU-QHCPKHFHSA-N 415.493 3.303 0 40 HGAB C[C@H](OC(=O)C1CCN(C(=O)c2ccco2)CC1)C(=O)N1c2ccccc2C[C@H]1C 19482867 BCPAVOYNLDUOAU-CVEARBPZSA-N 410.470 3.041 0 40 HGAB CCc1cc2c(NCCC(=O)Nc3cc4c(cc3C)n(C)c(=O)n4C)ncnc2s1 19522857 ULZXLVOGYLMTQT-UHFFFAOYSA-N 424.530 3.193 0 40 HGAB COc1ccc(C(=O)N2CCN(Cc3cccc(Br)c3)CC2)cc1OC 19559855 IVRFRRYGHAZRSL-UHFFFAOYSA-N 419.319 3.424 0 40 HGAB Cc1nc(C2CCN(C(=O)c3nn(C)cc3Cl)CC2)sc1-c1ccncn1 19560694 WENQZYGWQHJJSC-UHFFFAOYSA-N 402.911 3.315 0 40 HGAB Cc1nn(C)c(C)c1CN(C)C(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](C(C)C)N2 19577734 AVGPGENHAQJBJG-GOEBONIOSA-N 412.460 3.449 0 40 HGAB O=C(Nc1ccccc1)c1cnc(N2CCOCC2)nc1CCNC[C@H]1CC=CCC1 19697816 YRHUNWXQQCNTLH-IBGZPJMESA-N 421.545 3.054 0 40 HGAB COC(=O)CCSc1nnc(-c2nn(Cc3ccccc3)c(=O)c3ccccc23)o1 20960340 DXHSMVCYUKGSPF-UHFFFAOYSA-N 422.466 3.150 0 40 HGAB COC(=O)c1ccc(NC(=O)CN(c2ccccc2C(C)C)S(C)(=O)=O)cc1 22383143 YECPKPTUAZTPOL-UHFFFAOYSA-N 404.488 3.001 0 40 HGAB COCc1[nH]nc(-n2ccc3nc(C)c(C(=O)OC)cc3c2=O)c1-c1ccccc1 22606877 NDSXVRNUYNGZOX-UHFFFAOYSA-N 404.426 3.017 0 40 HGAB biogenic CC(C)C[C@H](CNC(=O)c1cnn(Cc2ccccc2Cl)c1)N1CCOCC1 22970629 QHFYSNYEEIWKFE-LJQANCHMSA-N 404.942 3.062 0 40 HGAB O=S(=O)(c1ccc(F)c(F)c1)N1CCN(CCOc2ccc(Cl)cc2)CC1 24168954 SWPYAJJBAVPSKJ-UHFFFAOYSA-N 416.877 3.004 0 40 HGAB O=C(NCCc1ccc(C(F)(F)F)cc1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 24539974 DRIZUHWMCHHCEU-CQSZACIVSA-N 420.387 3.146 0 40 HGAB CS(=O)(=O)c1cc(C(=O)OCc2cc(Cl)c3c(c2)OCO3)ccc1Cl 24765957 PNIGVSHKFWCAIS-UHFFFAOYSA-N 403.239 3.483 0 40 HGAB CSc1ccc(COC(=O)CCS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 24809418 WGMXBYKYYHCHTI-UHFFFAOYSA-N 408.497 3.087 0 40 HGAB Cc1cccc(N2C[C@@H](C(=O)N3CCN(C)c4nc5ccccc5nc43)CC2=O)c1C 25090559 XXTZRBGWPKXLDS-KRWDZBQOSA-N 415.497 3.083 0 40 HGAB O=C(NC1CCN(C(=O)c2ccc(NC(=O)C3CC3)cc2)CC1)c1ccc(F)cc1 25211744 SUCKTTGHNDNDAL-UHFFFAOYSA-N 409.461 3.209 0 40 HGAB COc1ccccc1OCC(=O)NC[C@H](c1ccc(C(C)C)cc1)N1CCOCC1 28290994 FSSOJKAPCTXQFD-OAQYLSRUSA-N 412.530 3.387 0 40 HGAB COc1ccccc1-c1nn(Cc2ccccc2)cc1C(=O)O[C@@H]1C[C@@H](C)OC1=O 32736713 LSZMRYATXXLKBB-FOIQADDNSA-N 406.438 3.468 0 40 HGAB Cc1ccc(Cl)cc1N(CC(=O)NCc1ccccc1)C(=O)c1csnn1 35312134 BUQAGTBIHGRRAN-UHFFFAOYSA-N 400.891 3.463 0 40 HGAB Cc1cc(C)c(OCC(=O)N2CCN(CC(=O)Nc3c(C)cccc3C)CC2)c(C)c1 36448973 KYCPDLYANGAULO-UHFFFAOYSA-N 423.557 3.390 0 40 HGAB CCCc1nnc(S)n1CC(=O)NCc1cccc(C(=O)Nc2ccccc2)c1 40108894 YWEVMWWKYBIZGE-UHFFFAOYSA-N 409.515 3.088 0 40 HGAB C[C@H](Cc1ccccc1Cl)NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccccc1 40112012 UBJUQZFKEQFWFY-DNVCBOLYSA-N 406.935 3.241 0 40 HGAB COc1ccc(NC(C)=O)c(NC(=O)CCC(=O)N2CCC(c3ccccc3)=N2)c1 56179029 YSQSTRGWXPLWPT-UHFFFAOYSA-N 408.458 3.009 0 40 HGAB Cc1nn(C2CCCC2)cc1/C=c1\sc2n(c1=O)[C@@H]1C[C@](C)(N=2)Oc2ccccc21 71785033 AIRUMFCUUBVLNT-KJNJKLEXSA-N 420.538 3.080 0 40 HGAB O=C(NCc1nc(-c2ccc(F)cc2)c[nH]1)Nc1cccc(Cn2cccnc2=O)c1 72311231 YEUGWYPCYOZHIJ-UHFFFAOYSA-N 418.432 3.143 0 40 HGAB CNc1cc([C@H]2CCCN(Cc3ccc(C)cc3OC)C2)nc(CN(C)C(C)=O)n1 72370147 OOQPRKRKEVORNU-SFHVURJKSA-N 411.550 3.193 0 40 HGAB CCc1nccn1CCC(=O)N1CC[C@H](c2cc(-c3ccc(N)nc3)cc(C)n2)C1 72374671 CWZXDOZYGXIYNG-SFHVURJKSA-N 404.518 3.199 0 40 HGAB COc1ccc(CC(=O)N2CCC[C@H](c3cc(C(=O)NC4CCCC4)[nH]n3)C2)cc1 72380686 RJFBVMFZRTYLAH-KRWDZBQOSA-N 410.518 3.039 0 40 HGAB CCC(=O)N1CCO[C@](Cc2ccc(-c3cccs3)cc2)(C(=O)NC(C)C)C1 72389262 YIMVHUPTJWEDMD-QFIPXVFZSA-N 400.544 3.490 0 40 HGAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ncccc3Cl)CC2)cc1 95457238 RXKPMRLWRFKNEL-UHFFFAOYSA-N 423.922 3.173 0 40 HGAB CCN1CC2(CCN(CCc3ccccc3)CC2)COc2ccccc2S1(=O)=O 96145135 ULANCJCNWAZXAV-UHFFFAOYSA-N 414.571 3.415 0 40 HGAB O=C(NC1CCCC1)c1ccc2ccc(N3CCN(Cc4cccnc4)CC3)n2c1 96267363 VADLMPJDVFXWKZ-UHFFFAOYSA-N 403.530 3.329 0 40 HGAB O=C1C[C@@H](N2CCN(C/C=C/c3ccccc3)CC2)C(=O)N1Cc1ccc(Cl)cc1 100196274 VKSBAZAEWUHMLS-ZMTJCJBESA-N 423.944 3.299 0 40 HGAB COc1c(C)cccc1C(=O)N[C@H](C)c1cc(O)n2nc(C3CCOCC3)cc2n1 100769423 CIZZSGPOHBOTDK-CQSZACIVSA-N 410.474 3.137 0 40 HGAB O=C(CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)Nc1cccc(NC(=O)c2cccs2)c1 102733048 DDNGHWYWTGKHAI-IAGOWNOFSA-N 423.494 3.280 0 40 HGAB CCOc1ccccc1NC(=O)CCCN(c1ccccc1OC)S(C)(=O)=O 113967259 PUDLGCGZYTUOQJ-UHFFFAOYSA-N 406.504 3.279 0 40 HGAB CCOc1cccc(CNC(=O)[C@H](CC)N(c2ccccc2F)S(C)(=O)=O)c1 113967507 HOBZRZVSOOMBSZ-SFHVURJKSA-N 408.495 3.085 0 40 HGAB C[C@H](Oc1ccc2ccccc2c1)C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21 219022347 QVFGVRWDYVLXOI-INIZCTEOSA-N 424.522 3.447 0 40 HGAB CC[C@@H](C(=O)N[C@@H](C)COc1ccccc1C)N(c1ccc(F)cc1)S(C)(=O)=O 219115622 UMUBLIVCSXMDGS-LPHOPBHVSA-N 422.522 3.262 0 40 HGAB CC[C@@H](NC(=O)[C@H](C)N(c1cccc(C)c1)S(C)(=O)=O)c1ccc(OC)cc1 220147462 GVEQEFWXAHMYDW-OXJNMPFZSA-N 404.532 3.426 0 40 HGAB CC[C@@H](C(=O)Nc1cc(OC)ccc1OC)N(c1cccc(C)c1)S(C)(=O)=O 220497302 QSQLAEHYFKTZIA-SFHVURJKSA-N 406.504 3.196 0 40 HGAB COC(=O)c1ccccc1NC(=O)CCCN(c1cccc(C)c1C)S(C)(=O)=O 222627569 PFXAPGFEWPAZBT-UHFFFAOYSA-N 418.515 3.275 0 40 HGAB O=C(COc1ccc(S(=O)(=O)Nc2ccccc2)cc1)N1CCOc2ccccc21 222677311 NCVXLZNFUOFFKQ-UHFFFAOYSA-N 424.478 3.292 0 40 HGAB C[C@H]1Cc2cc(S(=O)(=O)N3CCCCC3)ccc2N1C(=O)COc1ccccc1 223086351 XFSRKISHIIKGST-KRWDZBQOSA-N 414.527 3.218 0 40 HGAB CC(=O)N(Cc1ccc(F)cc1)[C@H](Cc1ccccc1)C(=O)NCc1cccnc1 223191436 BWKMGCBZXVPJOL-HSZRJFAPSA-N 405.473 3.497 0 40 HGAB S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2-c2cccnc2)N1C[C@@H]1CCCO1 223295836 FXVDEKYEZVWBBT-IOMROCGXSA-N 405.527 3.419 0 40 HGAB COC(=O)c1cc(S(=O)(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)ccc1C 223825607 NUKBEDAGWVTUSB-UHFFFAOYSA-N 416.499 3.209 0 40 HGAB Cc1ccc(C)c(OCCNC(=O)[C@H](C)N(c2cc(C)ccc2C)S(C)(=O)=O)c1 224006088 MOBKCNXFJVLPAL-IBGZPJMESA-N 418.559 3.270 0 40 HGAB CNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CCc1ccc(OC)c(OC)c1 225404751 AHHISGBAEFJGIY-OAHLLOKOSA-N 418.921 3.453 0 40 HGAB COc1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2cc(C)ccc2C)C1 225922503 YDRGVZAPGOMGPP-KRWDZBQOSA-N 402.516 3.351 0 40 HGAB CC(C)C[C@@H](NC(=O)COc1ccc(-c2cc3ccccc3c(=O)o2)cc1)C(=O)O 256027837 FMHUZXHPAFLPAE-LJQANCHMSA-N 409.438 3.454 0 40 HGAB CO[C@H]1CN(CC(=O)Nc2ncc(Cc3ccc(F)cc3)s2)CC[C@]12CCCO2 257229933 GABWMHINMSGXNI-GHTZIAJQSA-N 419.522 3.081 0 40 HGAB Cc1ccc([C@H]2c3c(n(C)c(=O)n(C)c3=O)N=C3c4ccccc4C(=O)[C@@H]32)c(C)c1C 408733156 FHMOCZCUZCYEDM-RTBURBONSA-N 413.477 3.088 0 40 HGAB COC(=O)C(=Cc1ccc(OCC(=O)Nc2ccccc2)c(Cl)c1)C(=O)OC 409054937 HHUXSZSFSKEQGC-UHFFFAOYSA-N 403.818 3.087 0 40 HGAB Cc1cccc(C(=O)NCc2nnc(SCC(=O)Nc3ccc(C)c(C)c3)n2C)c1 409069247 MDXNOQINJZEZPU-UHFFFAOYSA-N 423.542 3.401 0 40 HGAB C[C@]1(c2cccc(C(=O)N3C[C@H](c4ccccc4)[C@H]4CCC[C@@H]43)c2)NC(=O)NC1=O 553296749 OZNQJQIIBQFNOP-MTXNFPGFSA-N 403.482 3.150 0 40 HGAB Cc1ccc(NC(=O)C(=O)NCc2ccc(-c3ccco3)o2)cc1N1CCCC1=O 575610098 KEJMXNHWCONOBD-UHFFFAOYSA-N 407.426 3.230 0 40 HGAB O=S(=O)(c1ccc(Cl)c(C(F)(F)F)c1)N1CC(n2cc(C3CC3)nn2)C1 585149141 FDEDFQMRJAYSQB-UHFFFAOYSA-N 406.817 3.073 0 40 HGAB COc1ccc(-c2ccnc3nc([C@H]4COc5ccccc5O4)nn23)c(OC)c1OC 604419734 YIMMOZJCSAYAPW-GOSISDBHSA-N 420.425 3.330 0 40 HGAB O=C1NCCN(C(=O)c2cc3ccsc3[nH]2)[C@H]1c1ccc(Br)cc1 684531244 XXFFAPLZHMWPFP-AWEZNQCLSA-N 404.289 3.305 0 40 HGAB C[C@H]1CN(Cc2ccccc2NC(=O)NCc2cc3c(nc2O)CCC3)C[C@H](C)O1 1667392465 ZXDYFOQZNHDGOD-HOTGVXAUSA-N 410.518 3.207 0 40 HGAB CCc1c(C)nc(C2CC2)nc1N1CCN(c2ncc(Br)cn2)CC1 1888869683 OFCVEZQKGDGJSE-UHFFFAOYSA-N 403.328 3.104 0 40 HGAB O=C(O)CCC(=O)Nc1nc2n(n1)[C@H](c1ccc(F)cc1)C=C(c1ccccc1)N2 2249296 KGDURUZPHDAMOE-KRWDZBQOSA-N 407.405 3.277 0 40 HGAB COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)CN1CCC(C)CC1 2293994 MSSDZIORMWULHV-UHFFFAOYSA-N 408.296 3.387 0 40 HGAB O=C(CSc1ncnc2c1cnn2Cc1ccccc1)Nc1ccc2c(c1)OCO2 2445804 YTFVYAFNUVVYJG-UHFFFAOYSA-N 419.466 3.334 0 40 HGAB COc1ccc(C(=O)Nc2nc3ccc(S(=O)(=O)N4CCCC4)cc3s2)cc1 2694978 GKLKONQJGPGOMN-UHFFFAOYSA-N 417.512 3.342 0 40 HGAB CCOC(=O)CSc1nnc(CNC(=O)c2cccs2)n1-c1cccc(C)c1 2724035 YGWBZHGPTUZFPQ-UHFFFAOYSA-N 416.528 3.222 0 40 HGAB Cc1noc(C)c1COC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl 3318082 PFYVWCNEJPLVOD-UHFFFAOYSA-N 412.895 3.476 0 40 HGAB CNC(=O)NC(=O)[C@H](Sc1ncnc2c1cnn2-c1ccccc1)c1ccccc1 3558306 UNNAQKHKWFAGBI-QGZVFWFLSA-N 418.482 3.105 0 40 HGAB COCCNC(=O)[C@@H](C)[C@@H]1CCc2c(C)cc(OCc3cccnc3)c(C)c2[C@@H]1O 3841680 AAZVFGSFBLGURT-ITSWEJNFSA-N 412.530 3.272 0 40 HGAB biogenic,in-vitro COCCn1c(SCC(=O)NCc2ccccc2)nc2sc(C)c(C)c2c1=O 4188109 OMZZOWSVKORTEX-UHFFFAOYSA-N 417.556 3.130 0 40 HGAB CCOC(=O)c1c(NC(=O)c2ccc(OC)cc2)sc2c1CCN(C(C)=O)C2 4281148 NHVCERNAIYPIQJ-UHFFFAOYSA-N 402.472 3.090 0 40 HGAB CN(C)CCCn1c2c(c(SCC(=O)Nc3cccc(Cl)c3)nc1=O)CCC2 4851782 XCGOUJWMTKZMOX-UHFFFAOYSA-N 420.966 3.068 0 40 HGAB Cc1cc(C)n(CCc2nc3c4ccccc4n(Cc4cccc(F)c4)c(=O)n3n2)n1 5035639 WWVSFNXWYZZMPN-UHFFFAOYSA-N 416.460 3.288 0 40 HGAB COc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCCN3C(=O)C(C)C)cc1OC 5099647 UHNCSJCYNFEDIB-UHFFFAOYSA-N 418.515 3.440 0 40 HGAB CCOc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(CC)cc3)C2)cc1 6081947 YZHSMCIGUDMSCN-KRWDZBQOSA-N 410.470 3.183 0 40 HGAB CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)CSc1n[nH]c(N)n1 6233280 PHULAMZAIYOLNG-UHFFFAOYSA-N 403.489 3.023 0 40 HGAB Cc1cc(O[C@@H](C)C(=O)NC[C@@H](O)c2ccccc2)c2c3c(c(=O)oc2c1)CCC3 6658619 KLSDFGHAPZVLFV-HNAYVOBHSA-N 407.466 3.207 0 40 HGAB COc1ccccc1Nc1nnc(SCC(=O)NC(=O)c2cccs2)s1 6984316 FXPSFEGNUSMZEY-UHFFFAOYSA-N 406.514 3.401 0 40 HGAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)c2cncc(Br)c2)c1 7141266 CXZCARMRVVGGPW-UHFFFAOYSA-N 412.309 3.127 0 40 HGAB CC(=O)c1cc2c(cc1NC(=O)CCCNC(=O)c1ccc(Cl)cc1)OCO2 7778625 UXLJWISKTGDESQ-UHFFFAOYSA-N 402.834 3.420 0 40 HGAB CC(=O)c1c(C)[nH]c(C(=O)CN(C)CC(=O)Nc2ccccc2Br)c1C 8120819 FSQIQMZSRMVQLT-UHFFFAOYSA-N 420.307 3.350 0 40 HGAB COc1ccc(NC(=O)Cc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)cn1 8185222 NUIFQHNMAWHYTR-UHFFFAOYSA-N 415.446 3.211 0 40 HGAB O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1C[C@H]1COc2ccccc2O1 9494105 CBAVUZZQKPCFTI-IBGZPJMESA-N 400.434 3.322 0 40 HGAB O=C(Nc1nc(CC(=O)N2CCN(c3ccccc3Cl)CC2)cs1)C1CC1 9573756 IQLPMDOWLSOKQH-UHFFFAOYSA-N 404.923 3.036 0 40 HGAB COc1ccc(C)cc1S(=O)(=O)N1CCC[C@@H](C(=O)NCc2ccc(C)cc2)C1 9974721 HPWCGTCXKXVSFU-LJQANCHMSA-N 416.543 3.029 0 40 HGAB COC(=O)c1cccc(NC(=O)CN(c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)c1 10330004 LSGKPKQFECGQCI-UHFFFAOYSA-N 418.515 3.175 0 40 HGAB COC(=O)c1cccc(NC(=O)CCCN(c2ccc(C)c(C)c2)S(C)(=O)=O)c1 10331742 JODJHHQJQUVCOX-UHFFFAOYSA-N 418.515 3.275 0 40 HGAB O=C(OC/C=C/c1ccccc1)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 10794186 KGAWSNNAMRFRMM-QPJJXVBHSA-N 421.902 3.231 0 40 HGAB CCn1nc(-c2ccccc2)c(-c2ccccc2)c(C(=O)NCCCN(C)C)c1=O 12016380 YLZGZBHRIXEXSG-UHFFFAOYSA-N 404.514 3.279 0 40 HGAB Cc1nn(CC(=O)Nc2cccc(F)c2)c(=O)c2c1cnn2-c1cccc(Cl)c1 12228105 FNXPURUPXFTMMZ-UHFFFAOYSA-N 411.824 3.322 0 40 HGAB CCN(C(=O)CSc1ccc(S(=O)(=O)N2CCCC2)cn1)c1ccc(F)cc1 12636060 ZRAIGEHXOHNWPP-UHFFFAOYSA-N 423.535 3.150 0 40 HGAB Cc1cccc(-c2nn(CN(CC(C)C)[C@@H]3CCS(=O)(=O)C3)c(=S)n2C)c1 12773843 RWEINROETJHTJR-QGZVFWFLSA-N 408.593 3.029 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C)CCc3ccco3)CC2)c(C)c1 12775618 FOTFPNCXCCUHSG-GOSISDBHSA-N 418.559 3.435 0 40 HGAB C/C=C/c1cc(C(=O)NCc2ccccc2CN2CCOCC2)cc(OC)c1OC 12777107 JFZFTBCZIQVAHI-QPJJXVBHSA-N 410.514 3.499 0 40 HGAB Cc1[nH]c2ccccc2c1C(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 12791378 ARBNLZFQBVKOMB-UHFFFAOYSA-N 417.918 3.276 0 40 HGAB CC(C)c1ccc(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 12796116 BXQPHVSFDYRLMG-UHFFFAOYSA-N 418.515 3.278 0 40 HGAB Cc1ccc(S(=O)(=O)Nc2cccc(S(=O)(=O)NCc3ccco3)c2)cc1C 13041465 ZTWIZLCBQKIOIT-UHFFFAOYSA-N 420.512 3.176 0 40 HGAB Nc1nc(S[C@H]2c3cccc4cccc(c34)[C@H]2NS(=O)(=O)c2ccccc2)n[nH]1 13151300 SZVJRGZJZCMGMH-MSOLQXFVSA-N 423.523 3.407 0 40 HGAB Cc1ccc2cc(CN(C[C@H]3CCCO3)C(=S)NCc3ccco3)c(=O)[nH]c2c1 13570970 ZFNDNAOSOCWPRY-LJQANCHMSA-N 411.527 3.485 0 40 HGAB CC[C@H](C(=O)Nc1ccc(C(=O)O)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O 13712888 SZNGDMVWQOIUKT-MRXNPFEDSA-N 410.879 3.222 0 40 HGAB COc1ccc(C(=O)Nc2nnc([C@H]3CC(=O)N(c4ccccc4)C3)s2)cc1OC 13944292 SFBMQSVTGSZRNF-AWEZNQCLSA-N 424.482 3.328 0 40 HGAB C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)N1CC[C@@H](C)Sc3ccccc31)C2=O 13988292 GGFKATDCBPMOHP-PDSXEYIOSA-N 401.532 3.405 0 40 HGAB COc1cc(CNC(=O)c2ccc(-c3nnn[nH]3)cc2)ccc1OCc1ccccc1 14168406 HGYAAGNJPXKXOZ-UHFFFAOYSA-N 415.453 3.384 0 40 HGAB C[C@H](NC(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN12)c1ccc(F)c(F)c1 14575147 YYEWUZPGOLHELP-JTQLQIEISA-N 423.466 3.067 0 40 HGAB CCc1cccc(C)c1NC(=O)CN(CC)S(=O)(=O)c1cc(F)ccc1OC 16162297 QXJZLJHHWBTJAM-UHFFFAOYSA-N 408.495 3.354 0 40 HGAB COC(=O)[C@H](Cc1ccccc1)NC(=O)CCNC(=O)c1ccc(C(C)(C)C)cc1 16595949 BXRBICMYKCVENA-FQEVSTJZSA-N 410.514 3.005 0 40 HGAB O=C(COc1ccc2oc3c(c2c1)CCCC3)OCc1nnnn1-c1ccccc1 17704302 NXXJDAKEJFELIB-UHFFFAOYSA-N 404.426 3.410 0 40 HGAB Cn1nc(-c2cccnc2)cc1CN1CCN(C(=O)c2cc3c(F)cccc3[nH]2)CC1 19289030 KOWHLYKLRXTYGO-UHFFFAOYSA-N 418.476 3.061 0 40 HGAB COc1ccc([C@H]2CCCN2S(=O)(=O)c2cnn(C(F)F)c2C)c(OC)c1 19553071 WADWDOUFTDRXJQ-CQSZACIVSA-N 401.435 3.130 0 40 HGAB CNc1nc([C@@H]2CCCN(C(C)=O)C2)nc2c1CCN(Cc1ccc(C)cc1OC)C2 19708504 MXDJKHLNYWPPEL-LJQANCHMSA-N 423.561 3.120 0 40 HGAB CCC(=O)N1CCC[C@H]1c1nc(C)c2c(n1)N(Cc1ccccc1OC)C(=O)CC2 19740562 WRRGKEPMDUXLJI-SFHVURJKSA-N 408.502 3.347 0 40 HGAB Cc1ccc(Cl)cc1N1CCN(C(=O)c2cnc(-c3ccccc3)[nH]c2=O)CC1 19937289 GXDPEJIJXRMNCZ-UHFFFAOYSA-N 408.889 3.361 0 40 HGAB CS(=O)(=O)N(CC(=O)Nc1ccc(F)c(F)c1F)Cc1ccc(Cl)cc1 20014267 DSSNNICJGAKMPA-UHFFFAOYSA-N 406.813 3.158 0 40 HGAB CCOC(=O)[C@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@H]1c1sccc1C 20802545 WVQOPVMWAGKGMZ-IAGOWNOFSA-N 413.499 3.168 0 40 HGAB CCOc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3cccc(Cl)c3)CC2=O)cc1 21094506 BDOASHFVLKFZFP-AWEZNQCLSA-N 416.861 3.274 0 40 HGAB NC(=O)c1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3cccc4ccccc34)C2)cc1 21222388 FVAIYEOCOJTKGQ-GOSISDBHSA-N 401.466 3.430 0 40 HGAB CCN(CC(=O)NC(C)(C)C)C(=O)CCn1c(-c2cccc(C)c2)n[nH]c1=S 21921945 HLDDIMCJZMXDQN-UHFFFAOYSA-N 403.552 3.069 0 40 HGAB CCNC(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccc(C)cc1 22276173 GGVOZDREISPYRY-UHFFFAOYSA-N 411.321 3.089 0 40 HGAB CCOc1ccc(N(CC(=O)NCCCc2ccc(Cl)cc2)S(C)(=O)=O)cc1 22333167 VMTHGWHCIWORCD-UHFFFAOYSA-N 424.950 3.254 0 40 HGAB CCOC(=O)C1CCN([C@H](c2cccc(F)c2)c2sc3nc(C)nn3c2O)CC1 23157350 IGVWYKZISHMJAE-MRXNPFEDSA-N 418.494 3.308 0 40 HGAB CC(C)(C)c1ccc(OC[C@@H](O)Cn2c(CS(C)(=O)=O)nc3ccccc32)cc1 25062775 IYRDILCVDRALHR-KRWDZBQOSA-N 416.543 3.318 0 40 HGAB O=C(NC1CCN(C(=O)c2cc(Br)ccc2O)CC1)c1ccc(F)cc1 25212856 FLTRDNSIDNHPEK-UHFFFAOYSA-N 421.266 3.328 0 40 HGAB COc1ccc(C(=O)N(Cc2ccc(C)cc2)[C@@H]2CCS(=O)(=O)C2)cc1Cl 27740488 YLJGLSJDLAEADC-QGZVFWFLSA-N 407.919 3.487 0 40 HGAB O=C(C(=O)N1CCCC1)c1cn(CC(=O)N2CCc3ccccc3C2)c2ccccc12 28048575 NMUAUTJYEWQSCR-UHFFFAOYSA-N 415.493 3.031 0 40 HGAB COc1ccccc1CN(C)C(=O)[C@@H](C)N(c1ccc(C)c(C)c1)S(C)(=O)=O 30855240 LZXUGPVNKUVFMJ-QGZVFWFLSA-N 404.532 3.125 0 40 HGAB CCCCCNC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1CCCC 31943052 QJXAMYNKRFCWOO-UHFFFAOYSA-N 422.595 3.326 0 40 HGAB COc1ccc(S(=O)(=O)Nc2ccc(I)cc2)cc1F 32585908 OZIUZSZOAYLBIQ-UHFFFAOYSA-N 407.204 3.240 0 40 HGAB Cc1ccc(N2C(SCCOc3ccccc3)=N[C@H]3CS(=O)(=O)C[C@@H]32)cc1C 32640626 MRBFRXGEWPVJCO-PMACEKPBSA-N 416.568 3.457 0 40 HGAB CC1CCC(N(C)C(=O)c2cc(S(=O)(=O)N(C)C)ccc2Br)CC1 32841641 GTVBBVBSDMTDAI-UHFFFAOYSA-N 417.369 3.350 0 40 HGAB Cc1ccc(NC(=O)CN2CCN(C(=O)CSCCc3ccccc3)CC2)cc1 32902590 ZBCYAAIWBNXABP-UHFFFAOYSA-N 411.571 3.054 0 40 HGAB Cc1ccc(Oc2nc3ccccc3n3c(=O)n(CC(=O)NCCC(C)C)nc23)cc1 35424850 XAZIYRAHVOOJPC-UHFFFAOYSA-N 419.485 3.307 0 40 HGAB O=C(Nc1nnc(C2CC2)s1)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1 36359748 ZSXNDEPARIYOPM-SNVBAGLBSA-N 407.293 3.170 0 40 HGAB CCN1CCN([C@@H](C(=O)O)c2cn(Cc3ccccc3)c3cc(C(=O)O)ccc23)CC1 36360538 VQTACHHYRQJNRT-JOCHJYFZSA-N 421.497 3.151 0 40 HGAB COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)N[C@H]1c1cc(OC)c2c(c1)OCO2 36393194 RXADCRPIXNWNEU-IBGZPJMESA-N 410.426 3.137 0 40 HGAB COc1ccccc1CCC(=O)N1CCN(CC(=O)Nc2c(C)cccc2C)CC1 36447042 LEJXGDDWONFFQI-UHFFFAOYSA-N 409.530 3.028 0 40 HGAB O=S(=O)(c1cccc(NCc2ccccc2C(F)(F)F)c1)N1CCOCC1 36657352 XTKLWXAFOOFBTB-UHFFFAOYSA-N 400.422 3.338 0 40 HGAB O=C(CCNC(=O)c1ccc(F)cc1Cl)Nc1ccc(C(=O)NC2CC2)cc1 40132242 ANQQGACMGXDLQJ-UHFFFAOYSA-N 403.841 3.130 0 40 HGAB COc1ccc(NC(=O)COC2CCCCC2)cc1S(=O)(=O)N1CCCCC1 40140420 HFBUUTYKDDFUSI-UHFFFAOYSA-N 410.536 3.158 0 40 HGAB CSc1nnc(CCCNS(=O)(=O)c2cc(F)ccc2C)n1C1CCCC1 40149692 MMEYEWGAKLMRPV-UHFFFAOYSA-N 412.556 3.474 0 40 HGAB O=C(Oc1ccc(OCc2ccncc2)cc1)c1ccc(S(=O)(=O)NC2CC2)cc1 40150596 NIJAWBRNYWLEEI-UHFFFAOYSA-N 424.478 3.321 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(C(=O)N(CCN(C)C)CC2CCCCC2)cc1 48342562 UVDNOQQVCBYOIV-UHFFFAOYSA-N 423.623 3.301 0 40 HGAB Cc1ccc(-n2cc(C(=O)N3CCC(NC(=O)C4CCCCC4)CC3)nn2)cc1C 49406289 VJHOSXRVCBBRTB-UHFFFAOYSA-N 409.534 3.185 0 40 HGAB Cc1ccccc1N1CCN([C@H]2CCCN(C(=O)c3cn4ccsc4n3)C2)CC1 55342040 VQOOCOWMZXSSRS-SFHVURJKSA-N 409.559 3.131 0 40 HGAB O=C(COc1ccc2ccccc2c1)NCCN1CCN(c2ccccc2F)CC1 56965949 XUBUDLLSFMFNED-UHFFFAOYSA-N 407.489 3.296 0 40 HGAB CCc1cccc(NC(=O)CSc2nnc3c(=O)n(-c4ccccc4)ccn23)c1 64593457 WMVCEOLZQPNDHS-UHFFFAOYSA-N 405.483 3.173 0 40 HGAB COc1ccccc1N1CCN(C(=O)c2n[nH]nc2Nc2ccc(Cl)cc2)CC1 67284323 KKAFLAXNLMZDRF-UHFFFAOYSA-N 412.881 3.173 0 40 HGAB CCCCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)Nc1ccc(OC)cc1 71745153 KCAQQVAOHHZFII-QHCPKHFHSA-N 407.470 3.413 0 40 HGAB CC(C)(CNC(=O)OC(C)(C)C)NC(=O)Nc1cc2c(cc1Cl)NC(=O)CO2 72288945 BYUUQVBUUKSTNB-UHFFFAOYSA-N 412.874 3.096 0 40 HGAB O=C(CN1CCC[C@H](c2cccc(Cc3ccccc3Cl)n2)C1)N1CCOCC1 72348740 TULGKRYEMAMZDX-IBGZPJMESA-N 413.949 3.364 0 40 HGAB CCCNC(=O)C1(NCC(=O)N[C@H](c2ccccc2)c2nccs2)CCCCC1 79023264 RFCLNRXSTVORPS-LJQANCHMSA-N 414.575 3.167 0 40 HGAB COC(=O)c1nc(NC(=O)CCc2cc(OC)no2)sc1Cc1ccccc1 79479003 XTALLXSUEUEQEX-UHFFFAOYSA-N 401.444 3.088 0 40 HGAB Cc1cc(C)nc(SCc2ccc(C(=O)N3CCN(c4ccccn4)CC3)o2)n1 79492674 PSKNHCUFZSRQOT-UHFFFAOYSA-N 409.515 3.336 0 40 HGAB CCNC(=O)Nc1c[nH]nc1[C@@H]1CCCN(C(=O)c2cccc(-n3cccc3)c2)C1 95998669 RBXPTBXZQLIIMS-QGZVFWFLSA-N 406.490 3.362 0 40 HGAB CCCc1nnsc1C(=O)N1CCc2nc(NC(=O)c3ccsc3)sc2C1 96334032 HBRFRWVEYCADIM-UHFFFAOYSA-N 419.557 3.459 0 40 HGAB COc1ccc2c(c1)O[C@@]1(C[C@@H]3CC[C@@H]1C[C@@H]3C(=O)NCc1cccc(F)c1)NC2=O 100181732 WBJQPRCVNUJKNR-ZFLJKGDWSA-N 424.472 3.405 0 40 HGAB COc1cc(/C=C2\SC(=O)N(CC(=O)OC(C)C)C2=O)ccc1OC(F)F 106752266 OFBGXNSWCROCMJ-QPEQYQDCSA-N 401.387 3.285 0 40 HGAB CCC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 107927585 PTEFWHOCELMIOW-INIZCTEOSA-N 402.516 3.122 0 40 HGAB CN(C)c1ccc(NC(=O)C(=O)NCc2ccc([C@@H](O)c3ccccc3)s2)cc1 207972435 RIQBWEFYKCWCHA-FQEVSTJZSA-N 409.511 3.151 0 40 HGAB COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccncc1 223714626 QJFGOURJGYBVGF-NHCUHLMSSA-N 421.526 3.193 0 40 HGAB CS(=O)(=O)N(CC(=O)NC12CC3CC(CC(C3)C1)C2)Cc1ccccc1Cl 223940249 BCYLLCDZMIZPBE-UHFFFAOYSA-N 410.967 3.187 0 40 HGAB CCCCCNC(=O)c1ccc(NS(=O)(=O)c2ccc(OC)c(OC)c2)cc1 223991038 BHRUUEHXXFFWJO-UHFFFAOYSA-N 406.504 3.425 0 40 HGAB COc1ccccc1[C@H](C)NC(=O)CN(c1cccc(OC(C)C)c1)S(C)(=O)=O 224040690 RPRYPZXKKZMXSH-INIZCTEOSA-N 420.531 3.126 0 40 HGAB O=C(NCCOCc1ccccc1)c1ccc(NS(=O)(=O)c2cccs2)cc1 224238680 MBOSUQGYANYOEU-UHFFFAOYSA-N 416.524 3.496 0 40 HGAB CCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)COc1ccccc1OC 224555383 VILOJHNLILJQJN-IBGZPJMESA-N 414.502 3.026 0 40 HGAB O=C1[C@@H]2CCCC[C@H]2C(=O)N1CCC(=O)N1CCCC[C@H]1c1nc2ccccc2[nH]1 247793813 PUOHVUQNAOYZDQ-MDZRGWNJSA-N 408.502 3.182 0 40 HGAB Cc1cc(-c2cnc(N(C)C)nc2[C@H]2CC[C@H](CNC(=O)[C@H]3CCCO3)CC2)on1 257304752 SNAHWHTVSPPFKU-JFIYKMOQSA-N 413.522 3.075 0 40 HGAB O=C(c1cccnc1)N1CCO[C@H](c2cc(CCOc3ccc(Cl)cc3)[nH]n2)C1 257317497 VJYPYYXKMJYPEW-FQEVSTJZSA-N 412.877 3.293 0 40 HGAB COc1ccc(CN2C(=O)c3cccn3[C@H]3CN(Cc4scnc4C)C[C@@H]32)cc1 306144652 ZKZCNVVPSJHILW-PMACEKPBSA-N 408.527 3.343 0 40 HGAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@@H](C)CCc2ccccc2)cc1Cl 408584213 NBQXHBXRZGPBOR-GJZGRUSLSA-N 424.950 3.153 0 40 HGAB Cc1cc(Cl)ccc1NC(=O)[C@H](C)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 408704153 KIAQOGDDTLPFKU-ZDUSSCGKSA-N 424.906 3.213 0 40 HGAB CCOc1c(/C=C2/SC(=O)N(CC(=O)N3CCC(C)CC3)C2=O)cccc1OC 409354365 DDKXSTMGIANMGC-SFQUDFHCSA-N 418.515 3.389 0 40 HGAB C[C@@]12C[C@@H](c3ccccc3O1)[C@H](C(N)=O)C(=O)N2CCc1c[nH]c2ccc(F)cc12 524732492 IOUNTCGRCGFHJN-WGGBDISSSA-N 407.445 3.076 0 40 HGAB Cn1nccc1/C=C/C(=O)N1CCC[C@H](Cc2ccnc(Nc3ccccn3)c2)C1 585291603 DORIZQRVYAMSIC-IHHMQQGQSA-N 402.502 3.448 0 40 HGAB O=C(c1cncnc1)N1CCC2(CCCCCc3ccccc3OCCNC2=O)CC1 643565960 NSVYKXNRUAWNKX-UHFFFAOYSA-N 422.529 3.011 0 40 HGAB Cc1cc(C(=O)N[C@H](c2ccc(Cl)c(F)c2)c2nn[nH]n2)ccc1-n1cccn1 1624785649 COJNLSZHDYIILK-QGZVFWFLSA-N 411.828 3.006 0 40 HGAB Cc1nc(-c2ccccc2)sc1C(=O)N1CC(Cn2nc(C3CC3)ccc2=O)C1 1775967501 USRLUSQYGRDFKU-UHFFFAOYSA-N 406.511 3.325 0 40 HGAB COc1ccc2[nH]c(=O)c(CN(C(=S)NC[C@@H]3CCCO3)C3CCCC3)cc2c1 880154 COFDGIXICZVUIT-IBGZPJMESA-N 415.559 3.335 0 40 HGAB COc1ccc(-c2nsc3c(N4CCN(C(=O)c5ccco5)CC4)ncnc23)cc1 1370752 AGQAENFTCGWHKW-UHFFFAOYSA-N 421.482 3.317 0 40 HGAB CCc1ccc(NC(=O)[C@H]2CCC(=O)N2[C@@H]2OC(=O)c3c2ccc(OC)c3OC)cc1 2094640 MJTLFNZEUJHLJK-OPAMFIHVSA-N 424.453 3.065 0 40 HGAB biogenic CCCc1cc(=O)oc2c(C)c(OCC(=O)N[C@@H](Cc3ccccc3)C(=O)O)ccc12 2146388 JUWNHTQEZSYOSE-IBGZPJMESA-N 423.465 3.245 0 40 HGAB biogenic COCCOC(=O)C1=C(C)N=C2S[C@@H](C)C(=O)N2[C@H]1c1ccc(SC)cc1 2247876 SBKARQONJQJSBQ-LRDDRELGSA-N 406.529 3.247 0 40 HGAB Cc1cccc(C)c1NC(=O)CSc1nnc(CCNC(=O)OC(C)(C)C)o1 2397508 RJFRWLLXCVUCGI-UHFFFAOYSA-N 406.508 3.484 0 40 HGAB COc1cc(OC)c(C(=O)OCC(=O)N[C@@H](C)CCc2ccccc2)cc1OC 3446232 YRYQXAYUNULBKZ-HNNXBMFYSA-N 401.459 3.007 0 40 HGAB COc1ccc(NC(=O)C2=C(C)Nc3nc(CCCO)nn3[C@H]2c2ccccc2)cc1 4144421 QFEAMHXXUMJESO-NRFANRHFSA-N 419.485 3.139 0 40 HGAB O=C(NCCc1ccccc1)[C@@H](c1cccs1)N(C(=O)c1csnn1)C1CC1 4356347 NNIXVUGBUAOGKJ-GOSISDBHSA-N 412.540 3.304 0 40 HGAB COc1cc2oc(=O)c(CC(=O)NCc3ccc4c(c3)OCO4)c(C)c2cc1Cl 4742921 XKRVOPYENGCWLJ-UHFFFAOYSA-N 415.829 3.351 0 40 HGAB CCOC(=O)C1=C(CSc2nnc(C)s2)NC(=O)N[C@H]1c1ccc(C)cc1C 5018346 RTWMIDNJTFXOSU-INIZCTEOSA-N 418.544 3.427 0 40 HGAB COc1cc(NC(=O)Cn2nnc(-c3ccc(OCC(C)C)cc3)n2)cc(OC)c1 5027543 QKCQWYSOMRLVSX-UHFFFAOYSA-N 411.462 3.031 0 40 HGAB Cc1ccc(NC(=O)CSc2nnc(Cc3ccc(Cl)cc3)c(=O)[nH]2)cc1 5154682 MPFZJUFLALKCMM-UHFFFAOYSA-N 400.891 3.448 0 40 HGAB C[C@@H](OC(=O)C(C)(C)Oc1ccc(Cl)cc1)C(=O)Nc1ccc(C(N)=O)cc1 5652873 FYJWLIUDCKCLIY-GFCCVEGCSA-N 404.850 3.167 0 40 HGAB CCOC(=O)N1CCN(C(=O)COC(=O)c2sc3ccccc3c2Cl)CC1 5884587 QIXLYOAFUJLJCJ-UHFFFAOYSA-N 410.879 3.012 0 40 HGAB COc1ccc(-c2csc(NC(=O)C3=C[C@H]4C=CC=C[C@@H]4OC3=O)n2)c(OC)c1 6441391 PYEVZSXBSYBGFU-PXAZEXFGSA-N 410.451 3.360 0 40 HGAB CN(C)C(=O)c1ccc(NC(=O)COC(=O)/C=C/c2ccc(OC(F)F)cc2)cc1 6550747 IGKAWXFCVYODMJ-LFYBBSHMSA-N 418.396 3.185 0 40 HGAB CCOc1cc(CNC(=O)c2cc3c(=O)n4ccccc4nc3s2)ccc1OC 6758718 ZWOBSTJKZQFFOA-UHFFFAOYSA-N 409.467 3.247 0 40 HGAB CCc1ccc(O[C@@H](C)C(=O)N(Cc2ccccc2F)[C@H]2CCS(=O)(=O)C2)cc1 6811088 SYDTWNFBCQUTRK-LPHOPBHVSA-N 419.518 3.371 0 40 HGAB CC(C)NC(=O)CSc1ccccc1C(=O)OCC(=O)N[C@@H](C)c1ccccc1 6881055 SLSKKRLVZGVSIH-INIZCTEOSA-N 414.527 3.338 0 40 HGAB CCOC(=O)c1c(C)oc2nc(CSc3nnc(C4CC4)n3C3CC3)nc(N)c12 7902572 GUNUOPLINPCTIN-UHFFFAOYSA-N 414.491 3.386 0 40 HGAB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(N3CCCCC3)o2)C1=O 8088247 MIOVURMPTISRRL-XMHGGMMESA-N 422.485 3.364 0 40 HGAB CCc1cccc(CC)c1N1C[C@H](C(=O)OCC(=O)Nc2ccccc2OC)CC1=O 8433810 FOGWXPJCZUZAGP-GOSISDBHSA-N 424.497 3.355 0 40 HGAB C[C@@H]1CCCC[C@@H]1NC(=O)COC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 8928969 BSZNSQKJJPHZPZ-QRWLVFNGSA-N 420.465 3.339 0 40 HGAB CC(=O)Nc1c(C)ccc(NS(=O)(=O)c2cc3oc(=O)n(C)c3cc2Cl)c1C 8973626 XAEMZAUJYDACPN-UHFFFAOYSA-N 423.878 3.161 0 40 HGAB CCCn1c(S[C@@H](C)C(=O)NC[C@@H]2CCCO2)nc2sc(CC)cc2c1=O 9362200 VUDHVQIHWOJDLU-STQMWFEESA-N 409.577 3.206 0 40 HGAB CCSc1nnc(NC(=O)[C@H](CCSC)N2C(=O)c3ccccc3C2=O)s1 9390572 YOIFYBYEDKUDNV-LBPRGKRZSA-N 422.557 3.007 0 40 HGAB O=C(N[C@H](Cc1ccccc1)C(=O)Nc1ccc(N2CCOCC2)cc1)c1ccco1 9469488 CGVORVGLKARWTL-OAQYLSRUSA-N 419.481 3.096 0 40 HGAB O=C(NCc1ccc(OC(F)(F)F)cc1)c1cccc(N2CCCS2(=O)=O)c1 9796342 PSJZQZALIRKNQV-UHFFFAOYSA-N 414.405 3.055 0 40 HGAB CCOC(=O)c1ccc(NC(=O)CN(c2cc(C)cc(C)c2)S(C)(=O)=O)c(C)c1 10446756 DHIHLGMRUZZNAD-UHFFFAOYSA-N 418.515 3.193 0 40 HGAB CNS(=O)(=O)c1cccc(C(=O)Nc2nc(-c3ccc4c(c3)CCC4)cs2)c1 10552492 JOKTVXBMVOHJCJ-UHFFFAOYSA-N 413.524 3.459 0 40 HGAB COc1ccc(-c2cc3nc([C@@H](C)NC(=O)C4CCC(OC)CC4)nn3cn2)cc1 12085081 OCKVYQJLVUUUKS-MXWWQKGMSA-N 409.490 3.182 0 40 HGAB Cc1cc(-c2cnc(N(C)C)nc2-c2ccc(CNC(=O)C[C@@H]3CCCO3)cc2)on1 12159315 JIWMSVDCRYUZHQ-SFHVURJKSA-N 421.501 3.358 0 40 HGAB COC(=O)c1ccc(NC(=O)[C@H]2CCCN(C(=O)c3cc4ccccc4[nH]3)C2)cc1 12323097 XOJVHZIHDQUXKG-KRWDZBQOSA-N 405.454 3.445 0 40 HGAB COc1ccccc1[C@@H](NC(=O)c1nc(SC)ncc1Cl)c1nccn1C 12535493 UQGFMQMSBQTGTF-CQSZACIVSA-N 403.895 3.113 0 40 HGAB Cc1cc(C)cc(NC(=O)[C@@H](OC(=O)[C@H]2CCCN(C(N)=O)C2)c2ccccc2)c1 12689162 KCPRUBHVVAWAKQ-ICSRJNTNSA-N 409.486 3.317 0 40 HGAB Cc1ccccc1OCCC(=O)N1CCN(CC(=O)Nc2cccc(C)c2C)CC1 12767214 LUCSTZHAVCYJHA-UHFFFAOYSA-N 409.530 3.164 0 40 HGAB COC(=O)c1ccc(C)c(NC(=O)c2sccc2S(=O)(=O)N2CCCCC2)c1 12819474 AWAUIIXBPHPJII-UHFFFAOYSA-N 422.528 3.270 0 40 HGAB Cc1nc(-c2ccc(CNC(=O)Cn3c(C)nc4ccccc4c3=O)cc2)cs1 12981129 JYRUCVJNVKYVOA-UHFFFAOYSA-N 404.495 3.453 0 40 HGAB Cc1cc(Cl)ccc1NS(=O)(=O)c1ccn(S(=O)(=O)c2ccccc2)c1 13585722 UWOWDLKYLRQEIV-UHFFFAOYSA-N 410.904 3.488 0 40 HGAB Cc1cc(S[C@@H](C)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)nc(C(C)C)n1 16454362 WUQUXFDAILJLLM-AWEZNQCLSA-N 422.576 3.278 0 40 HGAB Cc1ccc(-c2nnc([C@H](C)OC(=O)c3ccc(Cl)c(S(N)(=O)=O)c3)o2)cc1 17536518 NJDCDPXMEHYKMJ-NSHDSACASA-N 421.862 3.264 0 40 HGAB O=C(C1CCCCC1)N1CCc2nc([C@H]3CCCCN3C(=O)C3CC3)nc(O)c2C1 19014695 XBQLHSAIVDBXPK-LJQANCHMSA-N 412.534 3.111 0 40 HGAB Cc1nc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccccn2)cc(N(C)C)n1 19240903 JRBKGOUTBVMPRP-HXUWFJFHSA-N 400.486 3.441 0 40 HGAB COc1ccc(CN(Cc2cccnc2)C(=O)c2cc(-c3cnn(C)c3)on2)cc1 19290752 YOLUMVGFOFXWIZ-UHFFFAOYSA-N 403.442 3.321 0 40 HGAB CNc1nc(C2CCN(CCCc3ccccc3)CC2)nc2c1CCN(C(C)=O)C2 19753052 CWRHKANLMFQLNC-UHFFFAOYSA-N 407.562 3.235 0 40 HGAB COc1ccc(/C=c2\sc3nnc(-c4ccccc4Br)n3c2=O)cc1 20058290 OEXBBGAGOGXZQA-GDNBJRDFSA-N 414.284 3.137 0 40 HGAB COC(=O)c1ccc(NC(=O)N2CCc3nc[nH]c3[C@H]2c2ccc(OC)cc2)cc1 20763148 JCDZEPHPMNLIBV-HXUWFJFHSA-N 406.442 3.385 0 40 HGAB biogenic COc1cccc(NC(=O)CN2N=C(c3ccccc3)c3ccccc3S2(=O)=O)c1 21942392 VUZSXSCMLDVRIF-UHFFFAOYSA-N 421.478 3.091 0 40 HGAB C[C@@H]1C[C@@H]2[C@H](C[C@H](O)[C@@]3(Cl)[C@H]2CCC2=CC(=O)C=C[C@@]23C)[C@@]1(O)C(=O)CCl 22001667 FSYKOOROHIBYBP-USSWUQKMSA-N 413.341 3.021 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@@H](C)c3ccc(F)cc3)C2)cc1 22539847 CKMDWUUIJKVABG-WMZOPIPTSA-N 404.507 3.412 0 40 HGAB COc1cc(C)c(CN2CCN([C@@H](C)C(=O)Nc3ccc(C)cc3)CC2)cc1OC 22789392 NNXVXWJQEVXQCC-IBGZPJMESA-N 411.546 3.465 0 40 HGAB O=S(=O)(c1ccc(F)cc1)N1CCCN(Cc2nc3ccccc3s2)CC1 23883259 SBIVSOVJEURGLV-UHFFFAOYSA-N 405.520 3.332 0 40 HGAB COc1cc(C(=O)N2CCN(Cc3ccccc3)CC2)cc(OC)c1Br 24061222 UPKHFOSQTFQCSF-UHFFFAOYSA-N 419.319 3.424 0 40 HGAB Cc1cc(=O)c(C(=O)N(C)CCOc2ccc(F)cc2)nn1-c1ccccc1Cl 24187997 OLAKCAQODSXJPD-UHFFFAOYSA-N 415.852 3.484 0 40 HGAB Cc1oc(-c2ccccc2)nc1CC(=O)N1C[C@H](C(=O)N(C)C)Oc2ccccc21 25052770 LJAODMGRRRQKOI-HXUWFJFHSA-N 405.454 3.075 0 40 HGAB CN(C[C@H]1COc2ccccc2O1)C(=O)CSc1nc(-c2ccccc2F)n[nH]1 27440160 QDPAOHGAUCPOQH-ZDUSSCGKSA-N 414.462 3.001 0 40 HGAB CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)CSCc1ccccc1Cl 30064207 HBDZMVLLNVCKEF-UHFFFAOYSA-N 424.975 3.413 0 40 HGAB CS(=O)(=O)N1CC[C@@H](C(=O)Nc2ccc(F)c(F)c2)Oc2ccc(Cl)cc21 30938476 ZTKQRROUXNFAKH-INIZCTEOSA-N 416.833 3.174 0 40 HGAB O=C(c1ccc2ccccc2n1)N1CCN(Cc2nc(-c3ccsc3)no2)CC1 31042418 GVOODKOHZSSPJG-UHFFFAOYSA-N 405.483 3.304 0 40 HGAB Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 32900068 OGCSPTPUPRWPCQ-CYBMUJFWSA-N 418.462 3.396 0 40 HGAB Cc1cc(NC(=O)Cn2nnc3ccccc32)n(-c2cccc(Br)c2)n1 40090347 NAXYGZBLEMKTMG-UHFFFAOYSA-N 411.263 3.327 0 40 HGAB O=C(N[C@H](c1ccccc1)c1nnn[nH]1)c1cccc(NC(=O)C2CCCCC2)c1 40158565 SQPCSQKQZONNFQ-LJQANCHMSA-N 404.474 3.238 0 40 HGAB CCc1ccccc1NC(=O)[C@@H]1CC(=O)Nc2nc(N3CCCC[C@@H]3CC)[nH]c(=O)c21 40390568 UIRUGOZPXRSKLF-JKSUJKDBSA-N 423.517 3.166 0 40 HGAB CC(C)[C@H](C(=O)NC[C@H]1COc2ccccc2O1)n1cnc2cc(F)c(F)cc21 58162091 DWVLEVYJXHLGQZ-RNODOKPDSA-N 401.413 3.468 0 40 HGAB COc1ccc(-c2ccc(=O)n(CC(=O)Nc3nc4c(s3)CCCC4)n2)c(F)c1 61719014 AHAOPUFDFVASAU-UHFFFAOYSA-N 414.462 3.032 0 40 HGAB CCOc1ccc(-c2cc3c(=O)n(CCC(=O)NC4CCCCC4)ccn3n2)cc1 67261164 RDDZAZTURUMDJT-UHFFFAOYSA-N 408.502 3.401 0 40 HGAB O=C(O)CN1c2ccccc2N[C@H]1CCCCc1nc2ccccc2n1CC(=O)O 82086760 KNPJDMMWBAKOJL-LJQANCHMSA-N 408.458 3.177 0 40 HGAB C[C@H]1CN(Cc2ccccc2)C[C@H](C)C1N(C)C(=O)c1cccc(S(C)(=O)=O)c1 84705645 JFZHDBFDNUFDAW-ROUUACIJSA-N 414.571 3.319 0 40 HGAB COc1ccc(Cl)cc1NC(=O)COC(=O)C(C)(C)[C@@H](O)c1cccc(O)c1 89621093 IWGNHNZJHKVIBN-SFHVURJKSA-N 407.850 3.296 0 40 HGAB O=S(=O)(NCc1cccnc1OCC(F)(F)F)c1cnc(Cl)cc1Cl 89773340 LJRGATYLZRCMAQ-UHFFFAOYSA-N 416.208 3.203 0 40 HGAB COCCN(C)C(=O)c1nc(-c2cn(Cc3csc(C)n3)c(C)n2)n2ccccc12 96155117 BFJPRFSRXHPMTR-UHFFFAOYSA-N 424.530 3.038 0 40 HGAB CCS(=O)(=O)[C@](Cl)(I)[C@@H](O)c1cccc(Cl)c1 96520087 BGNQGIPTHGWQLU-VHSXEESVSA-N 409.072 3.136 0 40 HGAB Cc1ccc2[nH]c(CN3[C@H]4CC[C@H]3CC(O)(Cn3nc(C)ccc3=O)C4)c(C)c2c1 100737923 DVAHPMTWRRIOOR-OALUTQOASA-N 406.530 3.208 0 40 HGAB COc1cccc([C@H]2CCN(CC(=O)Nc3cc(Cl)ccc3OC)C[C@H]2O)c1 103983862 DPVJLVOAQRPECM-IEBWSBKVSA-N 404.894 3.146 0 40 HGAB CCOCCCNc1ccc(S(=O)(=O)NCCC2=CCCCC2)cc1C(=O)O 217587562 APQFJYYEBDRENH-UHFFFAOYSA-N 410.536 3.392 0 40 HGAB CCCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)COc1ccc(OC)cc1 223515285 GVPFQJZLNINGGW-IBGZPJMESA-N 412.530 3.450 0 40 HGAB Cc1ccc(OCCNC(=O)[C@@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)cc1C 223898319 JTFHSHZRDCJAFI-MRXNPFEDSA-N 424.950 3.307 0 40 HGAB COCc1cccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccccc3C)CC2)c1 224348194 KDBMITGHCZGSCH-UHFFFAOYSA-N 416.543 3.322 0 40 HGAB Cc1ccc(SCCNC(=S)Nc2cccc(N(C)S(C)(=O)=O)c2)cc1 225286402 TWQBCZCPRNJRLX-UHFFFAOYSA-N 409.602 3.470 0 40 HGAB COc1cccc(CN(C(=O)COc2ccccc2OC)[C@@H](C)C(=O)NC(C)C)c1 225651060 PPWWSLFBGDRSHI-KRWDZBQOSA-N 414.502 3.025 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC(C(=O)N(C)c3ccc(C)c(C)c3)CC2)cc1 226075020 ZSQRBWWTXSOGTG-UHFFFAOYSA-N 416.543 3.376 0 40 HGAB Cc1ccccc1N1C(=O)[C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4c(Cl)cccc43)[C@H]2C1=O 248121523 RXVQTQOBVYFGOD-JFNLIGNMSA-N 421.884 3.080 0 40 HGAB CC(=O)Nc1ccn2ncc(C(=O)N3CCN(c4cc(Cl)ccc4C)CC3)c2c1 252481846 CTRHMSVPRICODT-UHFFFAOYSA-N 411.893 3.217 0 40 HGAB Cc1nc2cc([C@@H]3CCN(Cc4cccnc4)C3)nn2c(C)c1CCC(=O)NC(C)C 257324425 WOPXWALAEDJETE-HXUWFJFHSA-N 420.561 3.188 0 40 HGAB Cc1cncc(C(=O)N2CCC[C@](COc3cccc(Cl)c3)(CC(N)=O)C2)c1 257340406 ZFXVXMPFIISXCY-NRFANRHFSA-N 401.894 3.220 0 40 HGAB CN(Cc1ccc(OCC(=O)Nc2cccc(Cl)c2Cl)cc1)S(C)(=O)=O 408702394 FHQBIEBNQKMNHS-UHFFFAOYSA-N 417.314 3.402 0 40 HGAB O=C(NCc1cnc2n1CCCC2)[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 552788889 AKSUJGJOJQBULN-QGZVFWFLSA-N 421.328 3.447 0 40 HGAB CC1(C)CC[C@@H]2C[C@H](NC(=O)N3CCC([C@]4(C)NC(=O)NC4=O)CC3)c3cccc1c32 553708410 GNKCBXYNEQXTON-OSDILXSKSA-N 424.545 3.306 0 40 HGAB CN(Cc1cccnc1)C[C@@H]1CCC2(CN(C(=O)c3cc4ccccc4[nH]3)C2)OC1 575404340 NCLNZZBXQZGOQB-IBGZPJMESA-N 404.514 3.316 0 40 HGAB COc1ccc(OC)c2sc(N3CCC[C@@H](C(=O)N4CCSCC4)C3)nc12 1889184581 FEARMVCKBIFZHV-CYBMUJFWSA-N 407.561 3.105 0 40 HGAB O=C(Nc1ccccc1I)[C@H]1CC(=O)N(c2ccccc2)C1 1107891 KFZHQWFKYSJBTE-LBPRGKRZSA-N 406.223 3.283 0 40 HGAB O=C(CSc1nc2sc3c(c2c(=O)[nH]1)CCCC3)Nc1ccc2c(c1)OCO2 1368009 CAMWBRWJGIHFHW-UHFFFAOYSA-N 415.496 3.323 0 40 HGAB COc1c(O)cc2c(c1OC)-c1ccc(SC)c(=O)cc1[C@@H](NC(C)=O)CC2 1584949 PKYOHQGXPPVIGD-HNNXBMFYSA-N 401.484 3.282 0 40 HGAB biogenic,in-vitro O=C(Cc1ccccc1)NCCCCCCNC(=O)c1c(O)c2ccccc2oc1=O 3154768 AHWWXEZPGJKCMA-UHFFFAOYSA-N 422.481 3.148 0 40 HGAB C[C@@H](OC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1ccccc1F 4327726 PNRKUTNNRGSUOR-ZHHULCEESA-N 402.466 3.029 0 40 HGAB O=C1CC[C@H](C(=O)N(Cc2ccco2)C2(C(=O)NC3CCCCC3)CCCCC2)N1 4571597 YTIXFPAYZIGQRV-LJQANCHMSA-N 415.534 3.039 0 40 HGAB CCC(C)(C)NC(=O)[C@@H](c1ccccc1OC)N(C(=O)c1csnn1)C1CC1 4965089 YZBQIWYQKNACMN-QGZVFWFLSA-N 402.520 3.197 0 40 HGAB O=C([C@H](Sc1n[nH]c(=O)n1CCc1ccccc1)c1ccccc1)N1CCCC1 5506293 WBYCMMJLEXWJJK-LJQANCHMSA-N 408.527 3.270 0 40 HGAB COc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)cc1 5579129 UTFXEJAINJECCQ-UHFFFAOYSA-N 416.421 3.351 0 40 HGAB CCC(=O)c1ccc(OCC(=O)Nc2cccc(S(=O)(=O)N(CC)CC)c2)cc1 5636294 MGVSOGFOQGCMLE-UHFFFAOYSA-N 418.515 3.327 0 40 HGAB COCCN1C(=O)/C(=C(\C)Nc2ccc(Nc3ccccc3)cc2)C(=O)NC1=S 6585627 VPMIMSHJMSXOPH-NBVRZTHBSA-N 410.499 3.006 0 40 HGAB COc1cc(-c2nc3ccccc3c(=O)[nH]2)ccc1OS(=O)(=O)c1ccccc1 6606437 LSPOZOOEJKKJDF-UHFFFAOYSA-N 408.435 3.366 0 40 HGAB COC(=O)c1ccc(C(=O)Oc2ccc3nc(N4CCN(C)CC4)sc3c2)cc1 7512966 WJZCNZGCOWEHRG-UHFFFAOYSA-N 411.483 3.054 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCN(c3nc4cc(C)nn4c4ccccc34)CC2)cc1 7735843 YWPQSSJAJVVOFT-UHFFFAOYSA-N 421.526 3.010 0 40 HGAB CCCNC(=O)CNC(=O)c1cc(-c2ccc(OC)c(OC)c2)nc2ccccc12 8032289 FHJLPMUWSASZAE-UHFFFAOYSA-N 407.470 3.175 0 40 HGAB Cc1cccc2nc(C(=O)Nc3ccc(S(=O)(=O)N4CCCCCC4)cc3)cn12 8230137 HXKMCOXOUKQYHF-UHFFFAOYSA-N 412.515 3.460 0 40 HGAB CC[C@@H]1CCc2sc(C(=O)Nc3ccc(S(=O)(=O)NC(C)=O)cc3)cc2C1 8232548 MWJUMRBCRKYTHX-CYBMUJFWSA-N 406.529 3.340 0 40 HGAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)C2C[C@@H]3CCC[C@H](C2)C3=O)c1C 8404595 XKHPUUVOFSJSBS-JZWPEALZSA-N 403.475 3.318 0 40 HGAB COc1cccc(C(=O)CSc2nnc(CC(=O)Nc3ccc(F)cc3)n2C)c1 9095799 MYAWEOKSDNTWOY-UHFFFAOYSA-N 414.462 3.119 0 40 HGAB Cc1ccc(NC(=O)CSc2nnc(-c3cc(-c4ccc(C)cc4)n[nH]3)n2N)cc1 9374011 FKXIKKPNDJGRIZ-UHFFFAOYSA-N 419.514 3.397 0 40 HGAB COc1ccc([C@@H](NC(=O)Cn2nnc(-c3cccs3)n2)c2ccccc2)cc1 9389393 AJQRVHZALQIHMU-FQEVSTJZSA-N 405.483 3.316 0 40 HGAB CCN(CC)CCn1c(NC(=O)c2[nH]c(C)c(C(=O)OC)c2C)nc2ccccc21 10653033 BKWHCHMUBCNDLH-UHFFFAOYSA-N 411.506 3.362 0 40 HGAB COc1cccc(-c2nnc3ccc(OCCNC(=O)CC4CCCCC4)nn23)c1 11693906 ZCSRANQFIYDCAM-UHFFFAOYSA-N 409.490 3.265 0 40 HGAB Cc1nn(CC(=O)NCCc2ccccc2Cl)c(=O)c2cc3sccc3n12 12115263 NOTPYSHHTCMJGO-UHFFFAOYSA-N 400.891 3.031 0 40 HGAB CC(C)c1cc(C(=O)N2CCC[C@H](c3nc4ccc(F)cc4cc3C(N)=O)C2)n(C)n1 12220347 KGDYQKXURDSYJS-AWEZNQCLSA-N 423.492 3.350 0 40 HGAB Cc1ccc(-n2ncc3c(C)nn(CC(=O)Nc4ccc(F)cc4)c(=O)c32)c(C)c1 12228645 MQYSFKIWEAJMSG-UHFFFAOYSA-N 405.433 3.285 0 40 HGAB CCN(CC)C(=O)c1cnc(N(C)C)nc1-c1ccc(CNC(=O)C(C)(C)C)cc1 12232268 MLXRFUSHPZMDFB-UHFFFAOYSA-N 411.550 3.354 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@H](C)CCc3ccccc3)CC2)cc1 12760865 GCFQHXHJUODBJS-LJQANCHMSA-N 415.559 3.032 0 40 HGAB CCCc1ccc(S(=O)(=O)N[C@H](CC(=O)O)c2ccc(OC)c(OC)c2)cc1 12785056 ZPBIFUQQEOLALB-QGZVFWFLSA-N 407.488 3.151 0 40 HGAB CNC(=O)NC(=O)[C@H](C)OC(=O)c1cc2c(C)nn(-c3ccc(Cl)cc3)c2s1 12811644 OGLFRCLLSJPCMI-JTQLQIEISA-N 420.878 3.050 0 40 HGAB COc1ccc([C@@H](C)NC(=O)C2CCN(C(=O)OCC(F)(F)F)CC2)cc1F 12880822 QDBXZKIUVXSMPD-LLVKDONJSA-N 406.376 3.422 0 40 HGAB CC(=O)Nc1ccccc1OCC(=O)N(C)CCOc1ccc(Br)cc1 12911099 WRIZARLXXNBBMT-UHFFFAOYSA-N 421.291 3.324 0 40 HGAB O=S(=O)(c1ccc2oc(Nc3cc(Cl)ccc3F)nc2c1)N1CCOCC1 12951232 GGWAWGSTDIZXDG-UHFFFAOYSA-N 411.842 3.385 0 40 HGAB COc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(Br)c3)C2)c(OC)c1 12983746 MBFXQEVXGBNMGJ-GFCCVEGCSA-N 419.275 3.458 0 40 HGAB O=C(c1ccc2nc(NS(=O)(=O)c3ccccc3)sc2c1)N1CCSCC1 13570328 FXCCZJSIZJJCJI-UHFFFAOYSA-N 419.553 3.286 0 40 HGAB CC(C)c1nc2oc3c(=O)n(CC(=O)Nc4nccs4)cnc3c2c2c1CCC2 13683001 MZPZVBPQROBMMP-UHFFFAOYSA-N 409.471 3.245 0 40 HGAB Cc1cc(CNC(=O)[C@@H](C)NS(=O)(=O)c2ccccc2C(F)(F)F)ccc1F 14201044 HYPOGXFUMXRBGI-GFCCVEGCSA-N 418.412 3.136 0 40 HGAB Cc1cc(Br)ccc1NC(=O)Cn1cc(Br)ccc1=O 14232478 JOPGUFTXUKZFOR-UHFFFAOYSA-N 400.070 3.320 0 40 HGAB O=C(Oc1ccc(Cl)cc1Cl)c1ccc(S(=O)(=O)N2CCOCC2)cc1 14471581 UYOCBACMQDKKKS-UHFFFAOYSA-N 416.282 3.234 0 40 HGAB COc1ccc(OC)c(NC(=O)C[C@@H]2CCCCN2S(=O)(=O)c2cccs2)c1 15391269 BZDOBVNRCFNHLZ-AWEZNQCLSA-N 424.544 3.337 0 40 HGAB O=C(OCc1cc(=O)n2nc(C3CCCCC3)sc2n1)c1ccc2c(c1)OCO2 15734157 YGZPIZVAJSTBSZ-UHFFFAOYSA-N 413.455 3.284 0 40 HGAB CC(=O)Cc1nsc(NC(=O)C2=Cc3cc(Br)ccc3OC=C2)n1 15838639 GYLPPPYINPWESL-UHFFFAOYSA-N 406.261 3.360 0 40 HGAB COCCCNc1nc2ccccc2nc1NS(=O)(=O)c1ccc(C)cc1C 16955987 NDRYZWLEKLZGQR-UHFFFAOYSA-N 400.504 3.496 0 40 HGAB CNc1ncc(CN2CCC[C@H](c3cc(=O)[nH]c(-c4ccc(Cl)cc4)n3)C2)cn1 19592382 RDRVMKKSROLQGO-INIZCTEOSA-N 410.909 3.302 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cc(F)ccc3F)C2)cc1 20016768 ZAPMABCZRFOSDT-ZDUSSCGKSA-N 410.442 3.013 0 40 HGAB COc1ccc([C@H](C)NC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 20017757 FAEZSMUJIALVGC-KRWDZBQOSA-N 416.543 3.282 0 40 HGAB Cc1cc(S(=O)(=O)N(C)C)ccc1OCC(=O)N[C@H](C)c1ccc(Cl)cc1 20022615 NYHQPJXBGKTSGW-CQSZACIVSA-N 410.923 3.155 0 40 HGAB COc1ccccc1CNC(=O)CN1c2ccccc2-c2ccccc2S1(=O)=O 20063013 ZJIITHDAKPCOJZ-UHFFFAOYSA-N 408.479 3.187 0 40 HGAB CCOC(=O)c1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)c(Cl)c1 20452985 AGTNJRMXAKGPLJ-UHFFFAOYSA-N 424.906 3.084 0 40 HGAB O=C(NCCSC1CCCCC1)c1ccc(CS(=O)(=O)N2CCCC2)cc1 20459456 JHFNWLZGQOBEIK-UHFFFAOYSA-N 410.605 3.408 0 40 HGAB CCN(c1ccccc1C)S(=O)(=O)c1nnc(NC(=O)c2ccc(F)cc2)s1 20486682 SACGHUPNMFFNQI-UHFFFAOYSA-N 420.491 3.453 0 40 HGAB O=C(c1cccc(I)c1)N1CCN(Cc2ccccc2)CC1 21005215 DSGMOCMJCACZLR-UHFFFAOYSA-N 406.267 3.249 0 40 HGAB CN(CC(=O)Nc1ccc(SC(F)F)cc1)Cc1nc(=O)c2ccccc2[nH]1 21763316 HKBOGWYQHKJNJE-UHFFFAOYSA-N 404.442 3.308 0 40 HGAB O=C(c1cccc(S(=O)(=O)NCC(F)(F)F)c1)N1CC[C@H]2CCCC[C@@H]2C1 21905487 GEYAXWYFEXRZDO-UKRRQHHQSA-N 404.454 3.180 0 40 HGAB CCS(=O)(=O)N(C)c1cc(OC)c(OC)cc1C(=O)Nc1cc(F)ccc1C 22253187 KATDZWOTHXJLNY-UHFFFAOYSA-N 410.467 3.190 0 40 HGAB CCN(Cc1ccc(OC)c(OC)c1)C(=O)[C@@H]1CC(=O)N(c2cccc(OC)c2)C1 23026041 LXGMKEIBEXRERG-QGZVFWFLSA-N 412.486 3.114 0 40 HGAB C[C@@H]1CN(C(=O)c2ccccc2NS(=O)(=O)c2ccc(Cl)s2)C[C@@H](C)O1 23078220 OPAGWOZMFNGUMQ-VXGBXAGGSA-N 414.936 3.452 0 40 HGAB CS(=O)(=O)c1ccccc1C(=O)Nc1cccc(-c2nnc3n2CCCCC3)c1 23689540 DPEJKXTUUXFFEZ-UHFFFAOYSA-N 410.499 3.327 0 40 HGAB Cc1ccc(OCC(=O)NC[C@H](c2ccc(Cl)cc2)N2CCN(C)CC2)cc1C 27664369 DJOOMYMYJSDQNE-JOCHJYFZSA-N 415.965 3.441 0 40 HGAB CN(C)S(=O)(=O)c1ccc(OCC(=O)Nc2ccc(Cl)cc2Cl)cc1 28207256 KKIAGKCAGYGSPY-UHFFFAOYSA-N 403.287 3.261 0 40 HGAB CC(C)c1c(C(=O)NCCNc2cnccn2)cnn1-c1ccc(C(F)(F)F)cn1 30882317 OLZCNEZEIWCJNZ-UHFFFAOYSA-N 419.411 3.041 0 40 HGAB O=C(COc1ccc(-c2nc(-c3ccccc3)no2)cc1)NCCCN1CCCC1 32579029 MEAFQYXBLFVMLM-UHFFFAOYSA-N 406.486 3.385 0 40 HGAB CC(=O)c1cccc(N2C(SCc3cccc(C)c3)=N[C@H]3CS(=O)(=O)C[C@@H]32)c1 32641222 UPKBFVVVOCADOS-PMACEKPBSA-N 414.552 3.473 0 40 HGAB COc1ccc(CN(CC(F)(F)F)C(=O)c2ccc(S(C)(=O)=O)cc2)cc1 32848224 SFQBLNZMBDCNRF-UHFFFAOYSA-N 401.406 3.303 0 40 HGAB CCn1cc(-c2nc(-c3ccccn3)no2)c(=O)c2cc(F)c(N3CCOCC3)cc21 33255993 NJRLWQUQLJDTFZ-UHFFFAOYSA-N 421.432 3.109 0 40 HGAB O=C(NC1CCCCCC1)c1cc(-c2cccs2)n([C@@H]2CCS(=O)(=O)C2)n1 33325417 CMTUWYATOHWMHN-OAHLLOKOSA-N 407.561 3.424 0 40 HGAB CCC(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1c1cc2ccc(OC)cc2[nH]c1=O 35313747 ZIFLIQYJQBKARW-QHCPKHFHSA-N 422.481 3.438 0 40 HGAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N2CCN(c3cccc(OC)c3)CC2)c1C 36385050 IUZYESXTIAJOOK-KRWDZBQOSA-N 413.518 3.210 0 40 HGAB Cc1noc(C)c1Cc1ccc(C(=O)N2CCN(C(=O)c3ccccc3F)CC2)o1 36612111 BHZGHWKKUVLPPS-UHFFFAOYSA-N 411.433 3.213 0 40 HGAB CC(C)n1nccc1NC(=O)[C@@H](C)N1CCC(NC(=O)Nc2ccc(F)cc2)CC1 40154189 ZOAKPPNIURIJIT-OAHLLOKOSA-N 416.501 3.216 0 40 HGAB Cc1ccccc1OC[C@@H](O)CN1CCN(C(=O)c2cccc3ccccc23)CC1 44834472 XWLCJSZOYFILMZ-NRFANRHFSA-N 404.510 3.346 0 40 HGAB COC(=O)c1ccc2c(=O)n(-c3ccc(F)c(Cl)c3)c(N3CCSC3)nc2c1 49006442 XCBVJAVZWWGJPF-UHFFFAOYSA-N 419.865 3.476 0 40 HGAB Cc1noc([C@H]2CCCN(C(=O)c3nn(-c4ccccc4)c(=O)c4ccccc34)C2)n1 54661296 RAYTWTVWPQVTFJ-INIZCTEOSA-N 415.453 3.097 0 40 HGAB O=C(CN1CCN(C(=O)c2ccco2)CC1)Nc1ccccc1Cc1ccccc1 57315283 SWPAPWFADZDGKS-UHFFFAOYSA-N 403.482 3.267 0 40 HGAB O=C(Cn1cccc1-c1nc(-c2ccc3c(c2)OCO3)no1)NCc1ccccc1 57487091 OJZJWRONEWFLJM-UHFFFAOYSA-N 402.410 3.250 0 40 HGAB Cc1cccc(-n2c(=O)c3sccc3n(CC(=O)Nc3ccc(F)cc3)c2=O)c1 57490046 JZBKEJQIYNMTDH-UHFFFAOYSA-N 409.442 3.300 0 40 HGAB CCC(C)(C)NC(=O)c1ccc(NC(=O)C[C@@H]2SC(N3CCCC3)=NC2=O)cc1 57681489 FZHFOTYGGWUWKB-INIZCTEOSA-N 416.547 3.027 0 40 HGAB O=C(Nc1ccc(NC(=O)N(Cc2cccnc2)C[C@H]2CCCO2)cc1)[C@@H]1CCCO1 58174764 KHUHFWSCHHPAIH-RTWAWAEBSA-N 424.501 3.412 0 40 HGAB CCOC(=O)[C@@H](c1ccc(F)c(F)c1)N(C)S(=O)(=O)c1cccc(C(C)=O)c1 58316343 PMTAJFBBRNLYSC-GOSISDBHSA-N 411.426 3.092 0 40 HGAB Cc1c2c(=O)n(-c3ccc(Cl)cc3)[nH]c2cc(=O)n1Cc1ccc2c(c1)OCO2 59707485 GTHRAUUETDWHPB-UHFFFAOYSA-N 409.829 3.219 0 40 HGAB O=C(COC(=O)c1cc(F)c(F)c(F)c1F)Nc1ccc2c(c1)OC(F)(F)O2 61352552 BWIMOQGECZCBQX-UHFFFAOYSA-N 407.222 3.360 0 40 HGAB O=C(CN1CCO[C@H](c2ccccc2)C1)N1c2ccccc2NC(=O)C12CCCC2 69924962 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3.229 0 40 HGAB Cc1ccccc1NC(=O)[C@@H](C)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C 104198239 SGFKSUZEVQXSPB-IAGOWNOFSA-N 408.502 3.018 0 40 HGAB CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)NCc1ccc(C(=O)c3ccco3)s1)C(=O)C2 108249251 LXPYQOLTSTUMFL-RNODOKPDSA-N 421.540 3.387 0 40 HGAB COc1cc(CN2Cc3ccccc3C[C@@H]2C(=O)NCc2ccco2)cc(OC)c1O 199424111 OUFDOUKPXMPPHV-HXUWFJFHSA-N 422.481 3.246 0 40 HGAB Cc1ccc(CSCCNC(=O)[C@@H](C)N(c2ccccc2F)S(C)(=O)=O)cc1 220297999 XSLNKSOPUPZPLS-MRXNPFEDSA-N 424.563 3.338 0 40 HGAB CC[C@@H](C(=O)NCc1ccc(Cl)cc1)N(c1cccc(OC)c1)S(C)(=O)=O 220615250 YIESMMGIJGZNAH-SFHVURJKSA-N 410.923 3.210 0 40 HGAB COC(=O)c1cc(S(=O)(=O)NCc2cccc(CN3CCCC3)c2)ccc1Cl 224636860 OXGZWXSVVALWPY-UHFFFAOYSA-N 422.934 3.201 0 40 HGAB COc1ccc(N(CC(=O)O)S(=O)(=O)c2ccc(SC)cc2)cc1Cl 224985407 DPEMDVAUGIDZRA-UHFFFAOYSA-N 401.893 3.350 0 40 HGAB CCC1(CC)C[C@@H](NC(=O)[C@H]2CCCN(S(=O)(=O)CC)C2)c2ccccc2O1 260772438 YJCYQAFIZKYWKF-FUHWJXTLSA-N 408.564 3.247 0 40 HGAB CCOc1cccc(N(CC(=O)N[C@H](C)c2ccc3c(c2)CCC3)S(C)(=O)=O)c1 260943105 TXYWOGHEKWEGAJ-MRXNPFEDSA-N 416.543 3.217 0 40 HGAB CC(C)NC(=O)COc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1 408550193 BBDYILSLLDLDDT-UHFFFAOYSA-N 416.421 3.410 0 40 HGAB C[C@@H](CCc1ccccc1)NC(=O)CN(Cc1ccc(Cl)cc1)S(C)(=O)=O 408612658 UBPNLTYSQXCTDY-INIZCTEOSA-N 408.951 3.239 0 40 HGAB CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)O)cc3)N(C)C2=S)cc1 409032278 CAZOHCKGXZGVBJ-PDGQHHTCSA-N 412.467 3.153 0 40 HGAB C[C@H](NC(=O)CSc1nnc([C@H](C)NC(=O)c2ccccc2)n1C)c1ccccc1 409138364 APECUFRFZMWBLP-HOTGVXAUSA-N 423.542 3.276 0 40 HGAB O=C(N[C@@H](Cc1cnc[nH]1)C(=O)N(CCC(F)(F)F)CC1CC1)C1CCCCC1 549738680 XZTMIDLBLVNZLZ-KRWDZBQOSA-N 414.472 3.208 0 40 HGAB Cc1nn(C)cc1-c1ccc2c(c1)C1(CCOCC1)CN2C(=O)Cc1ccccn1 585105835 SALKPPKYZFVPJJ-UHFFFAOYSA-N 402.498 3.428 0 40 HGAB COc1ccc(Br)c(C(=O)NCCn2cc(-c3cccnc3)cn2)c1 585148380 MGYHWSYSMZJUKG-UHFFFAOYSA-N 401.264 3.146 0 40 HGAB O=C(C1CCOCC1)N1CCC[C@@H](c2ccnc(-c3noc(C(F)(F)F)n3)c2)C1 585290181 NWWOCHJKUKGTSC-CQSZACIVSA-N 410.396 3.283 0 40 HGAB CNc1ncnc2cc(C(=O)Nc3ccc(OC)c(N4CCCCC4=O)c3)ccc12 1630077581 FUSWJKAFSDWPBY-UHFFFAOYSA-N 405.458 3.449 0 40 HGAB CN(C)c1ccc(C(=O)N2CCC(COc3ncc(Br)cn3)CC2)cc1 1775969342 MARVZTLSZFZUSR-UHFFFAOYSA-N 419.323 3.236 0 40 HGAB O[C@@H]1[C@@H](N2CCc3ccccc3C2)[C@H](NCc2cccnc2)C[C@H]1Oc1ccccc1 1848354863 VJHDEKNMPUBDJZ-XPGKHFPBSA-N 415.537 3.179 0 40 HGAB CC(=O)NS(=O)(=O)c1ccc(NC(=O)/C=C/c2c(Cl)cccc2Cl)cc1 999778 FGKUSUWAGBXYHP-MDZDMXLPSA-N 413.282 3.470 0 40 HGAB O=C(N[C@]1(C(F)(F)F)N=C(O)N(c2ccccc2F)C1=O)c1cccc(Cl)c1 2369735 XYYSLMUUIMZTRI-INIZCTEOSA-N 415.730 3.428 0 40 HGAB CCOC(=O)[C@H](C)Oc1cccc2c(=O)n(CC(=O)Nc3ccc(C)cc3)ccc12 2712271 JYYSEUPORZMMMG-INIZCTEOSA-N 408.454 3.279 0 40 HGAB CCOC(=O)N1CCc2c(sc(NC(=O)c3ccccc3Cl)c2C(N)=O)C1 4274510 NLKKFVGSBCWVQQ-UHFFFAOYSA-N 407.879 3.267 0 40 HGAB Cn1c(SCC(=O)Nc2sccc2C(N)=O)nnc1-c1ccc(Cl)cc1 4287256 SRAJYWKUHSTWCN-UHFFFAOYSA-N 407.908 3.027 0 40 HGAB Cc1noc(C)c1COC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cc1 4549821 PDUWRRUXTDKNBU-ZIAGYGMSSA-N 406.504 3.315 0 40 HGAB COc1ccc(Cc2nnc3c4cnn(-c5ccc(C)cc5)c4ncn23)cc1OC 4559248 CRYTXHAHTIOFCU-UHFFFAOYSA-N 400.442 3.380 0 40 HGAB CCOC(=O)Cc1csc(NC(=O)[C@H](NC(=O)C2CCC(C)CC2)C(C)C)n1 4778491 OTIWYRBODFPVNC-MQBCKMQZSA-N 409.552 3.154 0 40 HGAB COc1ccc(-n2cccc2/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)cc1 4933215 IRBTVWWTOFTPCV-QGOAFFKASA-N 411.483 3.145 0 40 HGAB COc1ccc(NC(=O)CSc2nnc3ccc(-c4ccco4)nn23)cc1OC 5168169 GOQIDAFPKVZAAR-UHFFFAOYSA-N 411.443 3.132 0 40 HGAB CCCCOc1ccc(C(=O)NCC(=O)O[C@@H](C)C(=O)N2CCc3ccccc32)cc1 6110989 AXOMRGQWKJGZJY-KRWDZBQOSA-N 424.497 3.116 0 40 HGAB Cc1cc(O[C@H](C)C(=O)NC[C@H](O)c2ccccc2)c2c3c(c(=O)oc2c1)CCC3 6658618 KLSDFGHAPZVLFV-BEFAXECRSA-N 407.466 3.207 0 40 HGAB COCCN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@@H]1c1ccc(C(=O)OC)cc1 6732793 NFZFAUHEMGNSTQ-IBGZPJMESA-N 407.422 3.080 0 40 HGAB C[C@H](OC(=O)c1ccccc1NCCO)C(=O)Nc1cccc(Br)c1 7131940 OLTYXFVMBWMCAP-LBPRGKRZSA-N 407.264 3.037 0 40 HGAB CCCNC(=O)[C@H]1CN(CC(=O)Nc2cc(Cl)ccc2F)c2ccccc2O1 7275564 SQNYMIQODXDXNO-GOSISDBHSA-N 405.857 3.211 0 40 HGAB CCOc1ccc2nc(NC(=O)Cc3csc(N4CCCC4=O)n3)sc2c1 7922537 BTPSTHWGROMYST-UHFFFAOYSA-N 402.501 3.460 0 40 HGAB Cc1csc2nc(CSc3nnc(-c4ccc5c(c4)OCO5)o3)cc(=O)n12 8133188 AHNNLSZFWOYSJZ-UHFFFAOYSA-N 400.441 3.135 0 40 HGAB Cc1nc2cc(C(=O)OCn3nnc4ccccc4c3=O)ccc2n1-c1ccccc1 8161404 CSGXXQBODXYQFA-UHFFFAOYSA-N 411.421 3.253 0 40 HGAB C[C@]1(c2cc(F)ccc2F)NC(=O)N(Cc2cc(Cl)c3c(c2)OCCO3)C1=O 8264555 DTTGNXAOKKYGDK-LJQANCHMSA-N 408.788 3.357 0 40 HGAB CCC1CCC2(CC1)NC(=O)N(CC(=O)N1CCS[C@@H]1c1ccccc1F)C2=O 8352610 PIOQNSAOYXXBAL-TUVDCLKLSA-N 419.522 3.291 0 40 HGAB CCOc1cc2c(cc1OCC)CN(C(=O)CN1C(=O)CCOc3ccccc31)CC2 8388594 VXZQHJVGZMFKJR-UHFFFAOYSA-N 424.497 3.184 0 40 HGAB COC(=O)c1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccc(Cl)cc2)cc1 8414603 OYVNUCCEGRIIIR-UHFFFAOYSA-N 418.833 3.027 0 40 HGAB Cc1ccc(S(=O)(=O)N(C)CC(=O)OCC(=O)c2ccc3ccccc3c2)cc1 8650464 DUJRNTXTGUJTTI-UHFFFAOYSA-N 411.479 3.195 0 40 HGAB COC(=O)[C@H](Cc1ccccc1)NC(=O)CSc1nc2cc(Cl)ccc2[nH]1 9337960 MAYNTXPGQRFLQO-INIZCTEOSA-N 403.891 3.209 0 40 HGAB C[C@H]1Cc2ccccc2N1C(=O)CSc1nnc(-c2ccc3c(c2)OCCO3)n1C 9668580 FOSVJZMCKAHZSF-AWEZNQCLSA-N 422.510 3.323 0 40 HGAB O=C(Nc1nc2ccccc2s1)C(=O)N1CCN(c2cccc(Cl)c2)CC1 10326010 YXRRGCKICBLRCN-UHFFFAOYSA-N 400.891 3.237 0 40 HGAB CC(C)N(C(=O)COC(=O)CCC(=O)c1ccc2c(c1)OCCO2)c1ccccc1 11160435 JQCXKTGHEITGLN-UHFFFAOYSA-N 411.454 3.406 0 40 HGAB COc1ccccc1C1=NN(C(=O)CCC(=O)O)[C@H](c2ccc3nccnc3c2)C1 11692458 KFCUJVHSEUFSPA-IBGZPJMESA-N 404.426 3.181 0 40 HGAB CC(C)n1c(=O)oc2cc(S(=O)(=O)NC3(CN4CCCC4)CCCCC3)ccc21 12239268 OTLHWXOQYZNEFL-UHFFFAOYSA-N 421.563 3.252 0 40 HGAB Cc1cccc(CCC(=O)N2CCC(c3nc4ccccc4cc3C(N)=O)CC2)n1 12254670 CXDZBNCUJJRMLG-UHFFFAOYSA-N 402.498 3.376 0 40 HGAB COc1cc2oc(=O)cc(C)c2cc1CCC(=O)NCc1nc(-c2ccccc2)no1 12323266 IGCYHZIERUSIJW-UHFFFAOYSA-N 419.437 3.409 0 40 HGAB biogenic CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)c2ccc3[nH]nnc3c2)c1 12507485 BLKWXYUTFCPUQG-UHFFFAOYSA-N 407.455 3.035 0 40 HGAB O=C(CSc1ccc(Br)cc1)NCc1ccc(N2CCOCC2)nc1 12844995 WHIJPIQECWBPAU-UHFFFAOYSA-N 422.348 3.089 0 40 HGAB COc1ccc(CNC(=O)[C@H]2CCCN2S(=O)(=O)c2c(C)cc(C)cc2C)cc1 12909376 SSOQKSPRCWYUOT-HXUWFJFHSA-N 416.543 3.090 0 40 HGAB Cc1cc(S(N)(=O)=O)cc(NC(=O)c2cccc(OCc3cscn3)c2)c1C 12919194 BUCCFQFXNKGFBM-UHFFFAOYSA-N 417.512 3.239 0 40 HGAB COc1cc(NS(=O)(=O)c2ccc(Br)s2)c(C(=O)O)cc1OC 13267714 ICZMENGLBDIEFM-UHFFFAOYSA-N 422.278 3.027 0 40 HGAB CCSc1nc(=O)c2c(n1C)NC(=O)C[C@@H]2c1cc(Br)ccc1F 13567439 ZEFMOGRQAQXDHN-SNVBAGLBSA-N 412.284 3.268 0 40 HGAB Cc1ccc(S(=O)(=O)Nc2nc(CC(=O)Nc3ncc(C)s3)cs2)cc1 13693811 RUNOFGSWTCSMMA-UHFFFAOYSA-N 408.530 3.198 0 40 HGAB O=C(CN1C(=O)S/C(=C/C=C/c2ccco2)C1=O)N1CCN(c2ccccc2)CC1 15009081 BXZULJYVPUWBIW-MOPJDAFUSA-N 423.494 3.221 0 40 HGAB Cc1cc(S(=O)(=O)[C@H](CNC(=O)COc2ccccc2)c2ccco2)ccc1F 15781249 NLZUGXSFRNHDOX-HXUWFJFHSA-N 417.458 3.437 0 40 HGAB O=S(=O)(c1ccc(OCCSc2cc(F)ccc2F)cc1)N1CCOCC1 16132284 XHOUQMXUJOMYPM-UHFFFAOYSA-N 415.483 3.157 0 40 HGAB Cc1cccc(OCC(=O)NC(=S)Nc2ccc(Br)cc2C(=O)O)c1 16349799 NSHROMHLUZTXJX-UHFFFAOYSA-N 423.288 3.348 0 40 HGAB CNC(=O)[C@]1(Cc2ccc(-c3ccc(F)cc3)cc2)CN(C(=O)C(C)(C)C)CCO1 19081449 WXJYCUZORNZUDW-DEOSSOPVSA-N 412.505 3.425 0 40 HGAB COCC(=O)N1CCC[C@H]([C@@H]2C[C@H](C(F)(F)F)n3nc(C(C)(C)C)cc3N2)C1 19084044 ZAHQSRPKGICUGV-KCQAQPDRSA-N 402.461 3.353 0 40 HGAB Cc1ccc(S(=O)(=O)Cc2csc(NC(=O)Cc3c(C)noc3C)n2)cc1 19211147 UOGDMKMYXCVMCQ-UHFFFAOYSA-N 405.501 3.211 0 40 HGAB C[C@@H](Cn1cc(Cl)cn1)C(=O)N1CCO[C@H](c2cc3cc(F)ccc3cn2)C1 19457354 FUTNKKILFOBSMM-DJJJIMSYSA-N 402.857 3.460 0 40 HGAB Cc1nn(CC(=O)N2CCCC[C@@H]2c2nc(-c3ccsc3)cc(=O)[nH]2)c(C)c1C 19556490 LDIUJASPIRNCFO-GOSISDBHSA-N 411.531 3.374 0 40 HGAB Cc1nc(NC(=O)CCC(=O)N2CCC[C@H](C(=O)N3CCCCCC3)C2)sc1C 19560800 FAARBRYUFCEMDA-KRWDZBQOSA-N 420.579 3.120 0 40 HGAB C[C@@H]1Cc2cc(CN(C)C(=O)CCS(=O)(=O)c3cccc4cccnc34)ccc2O1 19718269 KPPMXAXVKGFXNM-MRXNPFEDSA-N 424.522 3.381 0 40 HGAB COC[C@H](C)NC(=O)CN1CCc2nc(-c3ccc(C(F)(F)F)cc3)sc2C1 19719886 ODRQRVZKTDRMOP-LBPRGKRZSA-N 413.465 3.338 0 40 HGAB Cc1ccc(CSCCNC(=O)CN(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1 20236763 DJMYDDKLRWZFHY-UHFFFAOYSA-N 420.600 3.427 0 40 HGAB CS(=O)(=O)Nc1cccc(C(=O)Nc2nnc(SCc3ccccc3)s2)c1 21955085 BLYPJGWCAJTHNG-UHFFFAOYSA-N 420.541 3.454 0 40 HGAB C[C@@]1(C(=O)N2CCc3cc(S(=O)(=O)N4CCCCC4)ccc32)CC1(Cl)Cl 22192027 DFDJWQBGLZTZNM-KRWDZBQOSA-N 417.358 3.334 0 40 HGAB CCN1CCC[C@H]1CNCc1ccc(Oc2nnnn2-c2ccccc2)c(OC)c1 22935456 MEKDXSJIQPXHIP-IBGZPJMESA-N 408.506 3.037 0 40 HGAB O=S(=O)(NCc1ccc(OCC(F)(F)F)cc1)c1ccc2c(c1)OCCCO2 23440886 OZOVONKOTIFELK-UHFFFAOYSA-N 417.405 3.268 0 40 HGAB CCCNC(=O)C1CCN(S(=O)(=O)c2ccc(Br)cc2Cl)CC1 24988727 KQFBVHPCPKKYBD-UHFFFAOYSA-N 423.760 3.029 0 40 HGAB COCCNC(=O)c1ccccc1NC(=O)C1CCN(c2nc3ccccc3o2)CC1 25167284 YWXXEIJLWYDTST-UHFFFAOYSA-N 422.485 3.059 0 40 HGAB Cc1nn(CC(C)C)c(C)c1CC(=O)N1CCN(C(=O)Nc2ccc(F)cc2)CC1 30256956 UJGOFEXOJHYBJV-UHFFFAOYSA-N 415.513 3.214 0 40 HGAB COc1ccc(C)cc1NC(=O)C[C@@H]1C(=O)Nc2nc(-c3ccc(Cl)cc3)nn21 31814244 ZRBMVUAFQFDORV-OAHLLOKOSA-N 411.849 3.438 0 40 HGAB COc1ccc(C(=O)N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)c(OC)c1 33187475 UUSXKWNZEQGIGA-UHFFFAOYSA-N 422.403 3.321 0 40 HGAB CNC(=O)c1cccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2C)C3=O)c1 36844474 JCAMSGVNJHTNSQ-UHFFFAOYSA-N 413.433 3.408 0 40 HGAB CC[C@@H](NC(=O)CN1CCN(c2nccs2)CC1)c1ccc(Br)cc1 37308268 RREIZYFUMDDTLW-MRXNPFEDSA-N 423.380 3.295 0 40 HGAB Cc1cc(=O)n2nc(CSc3nnc(NCCc4cccs4)s3)sc2n1 40018234 XKUCHTNBIUWUGU-UHFFFAOYSA-N 422.586 3.319 0 40 HGAB COc1ccc([C@H](CC(=O)Nc2ccccc2C(=O)N2CCCC2)NC(C)=O)cc1 40033865 PGACPDLPCRKAOS-NRFANRHFSA-N 409.486 3.137 0 40 HGAB O=C(c1cccc(C(F)(F)F)c1)N1CCN(C(=O)[C@H]2COc3ccccc3C2)CC1 40122019 VYPRLSCICMWBEU-QGZVFWFLSA-N 418.415 3.241 0 40 HGAB C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@H](O)C[C@H]1C[C@H]3O 40164245 BHQCQFFYRZLCQQ-UXWVVXDJSA-N 408.579 3.449 0 40 HGAB endogenous,in-man O=S(=O)(CCSc1nnc([C@H]2COc3ccccc3O2)o1)c1ccccc1 43870106 MCPMWJKTPYZUFC-MRXNPFEDSA-N 404.469 3.148 0 40 HGAB CS(=O)(=O)N(CC(=O)NCCSCc1cccc(Cl)c1)c1ccccc1 44791147 ZJAHNJPHXKCFEI-UHFFFAOYSA-N 412.964 3.156 0 40 HGAB C[C@@]1(c2ccc(NC(=O)c3ccc4[nH]c5c(c4c3)CCCC5)cc2)NC(=O)NC1=O 46408976 ZTBLMGARKKTUFL-QHCPKHFHSA-N 402.454 3.354 0 40 HGAB O=C(Nc1ccc2c(c1)OCCO2)c1nnn(-c2ccc(F)cc2)c1-c1cccnc1 49003581 IXVYDSFSJZAOHM-UHFFFAOYSA-N 417.400 3.492 0 40 HGAB COC(=O)Cn1c2c(sc1=O)[C@H](c1ccccc1)CC(=O)N2c1ccc(OC)cc1 49548257 YGDSOWBEFSWGIM-KRWDZBQOSA-N 424.478 3.292 0 40 HGAB COc1ccccc1N1CCN(CC(=O)N2CCc3[nH]c4ccc(F)cc4c3C2)CC1 57058577 HDEBCYMCDYRZLD-UHFFFAOYSA-N 422.504 3.023 0 40 HGAB COc1ccc(N2C[C@@H](C(=O)N3CCN(c4cc(C)ccc4C)CC3)CC2=O)cc1 57416677 HQBVUSYLRIYUCV-IBGZPJMESA-N 407.514 3.014 0 40 HGAB COCCn1nc([C@@H]2CCCN(C(=O)Nc3ccccc3Cl)C2)n(C2CC2)c1=O 77151282 SCMHCDYEHIXUTF-CQSZACIVSA-N 419.913 3.091 0 40 HGAB C[C@H](CNC(=O)C1=NO[C@]2(CCN(C(=O)Nc3ccccc3)C2)C1)c1ccccc1 96225759 HAOZTKDBSILLLB-UZUQRXQVSA-N 406.486 3.359 0 40 HGAB Cc1ccc(N2C(=O)[C@@H]3[C@@H](N=NN3Cc3nc(-c4ccccc4Cl)no3)C2=O)cc1 101271692 GNRGZWFXBXOTDN-SJORKVTESA-N 422.832 3.192 0 40 HGAB COC(=O)c1cccc(NC(=O)c2ccc(CS(=O)(=O)N3CCCCC3)cc2)c1 113958549 JQKRNLHZKPMSCZ-UHFFFAOYSA-N 416.499 3.041 0 40 HGAB O=C(Cn1c(=O)oc2ccccc21)N1CCC[C@@H](Cc2nc(-c3ccsc3)no2)C1 207015794 XBWRAFGHKVDJDM-AWEZNQCLSA-N 424.482 3.187 0 40 HGAB COc1ccc(-c2noc(CNC(=O)[C@@H](C)Oc3cccc(Cl)c3)n2)c(OC)c1 219293224 BFHBJXIRZPBFAH-GFCCVEGCSA-N 417.849 3.491 0 40 HGAB C[C@@H](CCc1ccccc1)NC(=O)[C@H](C)N(c1ccc(F)c(F)c1)S(C)(=O)=O 220455130 QJIGSSMDIKZZLF-GJZGRUSLSA-N 410.486 3.257 0 40 HGAB CCn1c(=O)sc2cc(S(=O)(=O)n3cc(C(=O)OC)c4ccccc43)ccc21 222653868 LHWVWESROJDDIU-UHFFFAOYSA-N 416.480 3.061 0 40 HGAB Cc1ccc(OC[C@H](C)NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)cc1 223165719 STYFSXGULDLPKA-INIZCTEOSA-N 414.527 3.040 0 40 HGAB COc1ccccc1-n1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1CCN(C)C 223259603 OWLCDXYZENVUOK-VXKWHMMOSA-N 421.570 3.415 0 40 HGAB COc1cccc(-c2noc(CN(C)S(=O)(=O)Cc3ccccc3Cl)n2)c1 223642629 NJNWNEIUPCNNGA-UHFFFAOYSA-N 407.879 3.360 0 40 HGAB CCc1ccc([C@H](C)NS(=O)(=O)c2ccc(OC)c(N3CCCC3=O)c2)cc1 223687440 VHLMRZNIGSEBEH-HNNXBMFYSA-N 402.516 3.424 0 40 HGAB CS(=O)(=O)N(CCCC(=O)NCCc1ccc(Cl)cc1)c1ccc(F)cc1 224147168 XLLWNFKOJULKJD-UHFFFAOYSA-N 412.914 3.384 0 40 HGAB CNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)Cc1ccc(F)cc1 225495410 BDVBKNDAINWYFQ-CYBMUJFWSA-N 407.283 3.294 0 40 HGAB COC(=O)c1ccc(C)c(NC(=S)NCc2cc(OC)c(OC)c(OC)c2)c1 225573202 DIYIDLGZYNUIIF-UHFFFAOYSA-N 404.488 3.294 0 40 HGAB CCCCOC(=O)c1ccc(NC(=O)Cc2ccc(N(C)S(C)(=O)=O)cc2)cc1 225978404 QJEUZRQQGBXAGH-UHFFFAOYSA-N 418.515 3.221 0 40 HGAB COc1ccc2c(c1)O[C@@]1(C[C@H]3CC[C@H]1C[C@@H]3C(=O)NCc1cccc(F)c1)NC2=O 247975692 WBJQPRCVNUJKNR-WQYJIASKSA-N 424.472 3.405 0 40 HGAB COc1cccc([C@]2(O)CCC[C@@H]3CN(C(=O)c4ccc(Cn5ccnc5)o4)C[C@H]32)c1 248251757 PUOVVUAOMKNVBT-NYQDVAGCSA-N 421.497 3.293 0 40 HGAB COCCC(=O)N1CC[C@H](Oc2cccc(Cl)c2)[C@@H](CC(=O)N2CCCCC2)C1 257243190 IFVNFOGTQASTJH-PXNSSMCTSA-N 422.953 3.375 0 40 HGAB CC1=CC(C)(C)N(C(=O)CN2CCC[C@@](C(N)=O)(c3ccccn3)C2)c2ccccc21 257303163 SGAGPXJHAIVEIP-VWLOTQADSA-N 418.541 3.129 0 40 HGAB CCOc1ccc(N([C@H](C)C(=O)NC[C@@H](C)c2ccccc2)S(C)(=O)=O)cc1 260790521 FXBISNFQLYCOTB-IAGOWNOFSA-N 404.532 3.160 0 40 HGAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccccc2OC)cc1Cl 408608668 RTTQSCLHSKHZSM-LBPRGKRZSA-N 412.895 3.053 0 40 HGAB COc1ccc(Cl)cc1N(CC(=O)N[C@@H](C)CCc1ccccc1)S(C)(=O)=O 408627324 ZESSZEOIOKVXDA-HNNXBMFYSA-N 424.950 3.252 0 40 HGAB Cc1ccc(NC(=O)CSc2nnc(CNC(=O)c3ccccc3C)n2C)c(C)c1 409069111 LHZCFABZTBBNHH-UHFFFAOYSA-N 423.542 3.401 0 40 HGAB C[C@H](C(=O)Nc1ccc(Br)cc1F)N(c1ccccc1)S(C)(=O)=O 409323785 QMSDYLBWZZGQPP-LLVKDONJSA-N 415.284 3.381 0 40 HGAB NC(=O)[C@@H](CNC(=O)[C@H]1CCCCN1Cc1ccccc1)Cc1ccccc1Cl 531292840 XMGCAHBYDLJFRU-TZIWHRDSSA-N 413.949 3.155 0 40 HGAB COc1ccc(Br)c(C(=O)N2CC[C@@H](Oc3cc(C)nc(C)n3)C2)c1 585147473 QYAMHUBOAGLNSW-CQSZACIVSA-N 406.280 3.158 0 40 HGAB CC(=O)N1CCN(C2CCN(C(C)C)CC2)C[C@@H](Cc2cccc3cccnc23)C1 1615153847 BMBPVSQLTVBALM-NRFANRHFSA-N 408.590 3.430 0 40 HGAB C[C@H]1CN(c2nc(Sc3ccccn3)cc(N3C[C@@H](C)O[C@H](C)C3)n2)C[C@@H](C)O1 1615627234 BCUZPTRGPIVWJC-VQHPVUNQSA-N 415.563 3.250 0 40 HGAB Cn1ccnc1[C@@H](NC(=O)NCC[C@](C)(O)c1ccccc1)c1ccc(F)cc1F 1684597938 PMOMFTUFOXKVMG-UGKGYDQZSA-N 414.456 3.385 0 40 HGAB O=C(NC(=S)Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1)c1ccco1 676688 PVURYGPPWLZUMD-UHFFFAOYSA-N 407.517 3.017 0 40 HGAB COc1ccc2[nH]c(C(=O)O)c(NC(=O)c3cc(OC)c(OC)c(OC)c3)c2c1 2099475 RMWAXHWWRAXQJY-UHFFFAOYSA-N 400.387 3.153 0 40 HGAB biogenic COc1ccc(N(CC(=O)NC2CCCCC2)S(=O)(=O)c2cccs2)cc1 2626996 HQQLLQAFDSLVOB-UHFFFAOYSA-N 408.545 3.401 0 40 HGAB CCOC(=O)c1c(NC(=O)COC(=O)c2ccccn2)sc2c1CC[C@H](C)C2 3337504 HDPBJTHMVARSOW-LBPRGKRZSA-N 402.472 3.240 0 40 HGAB COc1ccc(Br)c(C(=O)OCC(=O)Nc2ccccc2C(C)=O)c1 3411749 LNFPQIAENDPXGM-UHFFFAOYSA-N 406.232 3.456 0 40 HGAB CCc1nc2ccccc2c(C(=O)OCC(=O)NCc2ccc3c(c2)OCO3)c1C 3433772 GWFXWTJLHSUOBR-UHFFFAOYSA-N 406.438 3.308 0 40 HGAB Cc1ccc(CNC(=O)CSc2nc(=O)n(Cc3ccco3)c3c2CCC3)cc1 4940014 ZTASLHIVRLTFCI-UHFFFAOYSA-N 409.511 3.090 0 40 HGAB Cc1cc(O)c(C(=O)[C@H](C)SC(=S)N2CCOCC2)cc1Br 5538720 WINHYHLEOSPUHS-JTQLQIEISA-N 404.351 3.385 0 40 HGAB CN(Cc1ccccc1F)C(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1 6405380 QHUPEUICLWGMJG-UHFFFAOYSA-N 402.447 3.169 0 40 HGAB Cc1occc1-c1nnc(SCC(=O)N[C@H](C)c2ccc3c(c2)OCCO3)n1C 7735577 BMHBTNRENJIPKG-GFCCVEGCSA-N 414.487 3.124 0 40 HGAB CC[C@H]1CCc2sc(C(=O)Nc3ccc(S(=O)(=O)NC(C)=O)cc3)cc2C1 8232550 MWJUMRBCRKYTHX-ZDUSSCGKSA-N 406.529 3.340 0 40 HGAB Cc1nnc(SCC(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)n1Cc1ccccc1 8936513 MJWYKASDGFDRRV-ZDUSSCGKSA-N 423.498 3.085 0 40 HGAB CCOc1ccc(N2C[C@H](CNS(=O)(=O)c3cc(C)ccc3C)CC2=O)cc1 9036255 STXKYTWDGHONNU-KRWDZBQOSA-N 402.516 3.034 0 40 HGAB C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N(Cc2ccco2)Cc2cccs2)C1=O 9245195 WIOQWLCYRXDOGE-QFIPXVFZSA-N 423.494 3.337 0 40 HGAB COc1cc(OC)c2c(C)c(CC(=O)Nc3ccc(NC(C)=O)cc3)c(=O)oc2c1 9353106 FWQDUBDZPQZJPJ-UHFFFAOYSA-N 410.426 3.258 0 40 HGAB CCCN1C(SCC(=O)NCc2ccc(F)cc2)=NS(=O)(=O)c2ccccc21 9530290 OBDVCVFDZRZXAZ-UHFFFAOYSA-N 421.519 3.150 0 40 HGAB CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc4ccccc34)CC2)cc1 9545529 HFUDHXFXXOEIFD-UHFFFAOYSA-N 422.506 3.189 0 40 HGAB COC(=O)[C@H]1CN(C(=O)Cc2csc(-c3ccc(OC)cc3)n2)c2ccccc2O1 9742572 NMKOKHPTNNBVOQ-LJQANCHMSA-N 424.478 3.328 0 40 HGAB C[C@H]1CCc2c(sc(NC(=O)CCCS(=O)(=O)c3ccccc3)c2C(N)=O)C1 9912016 GMTQCEMDDBGALZ-ZDUSSCGKSA-N 420.556 3.164 0 40 HGAB CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)Nc1nc2ccccc2s1 10367347 RRRSSKSNYCVWOY-UHFFFAOYSA-N 418.544 3.446 0 40 HGAB COc1cc(C(=O)N(C)Cc2ccccc2N2CCOCC2)cc(Cl)c1OC 10900260 CAOSWVNQEAOIMO-UHFFFAOYSA-N 404.894 3.466 0 40 HGAB COc1cccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CCCN(C)C)c1 11614405 HAQQFEPKFLSCPR-FQEVSTJZSA-N 410.445 3.438 0 40 HGAB CC(C)(C)c1cc(C(F)(F)F)n2nc(C3CCN(S(C)(=O)=O)CC3)cc2n1 12160301 ASOITEDPGSKNSV-UHFFFAOYSA-N 404.458 3.185 0 40 HGAB Cc1nc2c(SCC(=O)NC[C@H]3CCCO3)nnc(-c3ccccc3)c2s1 12232805 HOFQSDQAZRPZFR-CQSZACIVSA-N 400.529 3.449 0 40 HGAB COc1cc(-c2cnc(NCCc3cnccn3)nc2-c2cccs2)nc(OC)n1 12327953 XLDZAPLNJPHZGI-UHFFFAOYSA-N 421.486 3.124 0 40 HGAB CCS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1cc(C)nc2ccccc12 12545142 XMRNFKBZTQBEDZ-NRFANRHFSA-N 409.511 3.258 0 40 HGAB C[C@@H](OC(=O)c1cccc(N2CCCS2(=O)=O)c1)C(=O)c1c[nH]c2ccccc12 12891808 NWHKMVUNYOODFR-CQSZACIVSA-N 412.467 3.136 0 40 HGAB COc1ccc(NC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc1OC 12933945 MDNQALQTGJLIJN-UHFFFAOYSA-N 413.499 3.452 0 40 HGAB CNS(=O)(=O)Cc1ccc(CNC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)cc1 12980506 NJVVBWKJXRMEQQ-UHFFFAOYSA-N 411.527 3.026 0 40 HGAB CCOC(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)N[C@H](C)CC)c2)cc1 13101296 LEECOGFVTPMBGF-CQSZACIVSA-N 404.488 3.192 0 40 HGAB CCC[C@H](C)NC(=O)c1ccc(OC)c(S(=O)(=O)NCCc2ccccc2)c1 13581934 XWBIYMXGEZJRDW-INIZCTEOSA-N 404.532 3.135 0 40 HGAB Cc1cc(C(F)(F)F)n2nc(C(=O)N3CCC(N4CCC(C)CC4)CC3)cc2n1 19116620 RDCWWNBSMCBONZ-UHFFFAOYSA-N 409.456 3.393 0 40 HGAB Cc1ccc(C(=O)N[C@H](Cc2ccccc2)c2ccc3c(c2)OCCO3)c(=O)n1C 19131747 NWXVILNSSAFXHD-HXUWFJFHSA-N 404.466 3.179 0 40 HGAB CCn1ncc(S(=O)(=O)N2CCC(c3nc(C)n4c(C)csc34)CC2)c1C 19524003 YBURSSZYLQIISX-UHFFFAOYSA-N 407.565 3.106 0 40 HGAB CCCSc1ncc(CN2CCC[C@H](c3ncccc3S(C)(=O)=O)C2)cn1 19525209 QFSQXUSQMKXHKB-INIZCTEOSA-N 406.577 3.157 0 40 HGAB COc1ccccc1CCC(=O)N1CCCC[C@H]1c1nc(C)c2c(n1)N(C)C(=O)CC2 19703393 DRZRQBJLPCDPMY-IBGZPJMESA-N 422.529 3.389 0 40 HGAB COc1cccc(C(=O)N(C)[C@@H]2CCCN(C(=O)Cc3csc(C)n3)CC2)c1 19749882 PECMFWOVWHTTON-GOSISDBHSA-N 401.532 3.156 0 40 HGAB COc1ccc([C@@H](CC(=O)NCC(C)C)N(C)S(=O)(=O)c2ccccc2)cc1 19935763 BIAASMRQEDCULR-HXUWFJFHSA-N 404.532 3.219 0 40 HGAB Cc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1ccccc1)N(CCN1CCOCC1)C3=O 20308709 XTADHBKGXDNSIR-JOCHJYFZSA-N 418.493 3.287 0 40 HGAB CCC(=O)N1CCCc2ccc(NS(=O)(=O)c3ccc(NC(C)=O)cc3)cc21 21756654 IBKWCKANNJBTTO-UHFFFAOYSA-N 401.488 3.135 0 40 HGAB CC(=O)N1CCN(c2ccc(OS(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2)CC1 21821399 OKIUWHPOELSBSN-UHFFFAOYSA-N 416.543 3.420 0 40 HGAB O=C(Cc1csc(-c2cccc(Cl)c2)n1)OCn1nnc2ccccc2c1=O 22374561 AKHFQKLTDCAUBR-UHFFFAOYSA-N 412.858 3.312 0 40 HGAB Cc1cc(=O)c(C(=O)N2CCC([C@H](O)c3ccccc3)CC2)nn1-c1ccccc1F 23385159 ULPVOAXGHSEIKN-HSZRJFAPSA-N 421.472 3.266 0 40 HGAB CCc1c(C(=O)NCC(C)(C)N2C[C@@H](C)O[C@H](C)C2)cnn1-c1ccc(F)cc1 24690562 MHWRJUSVSOWJFG-HZPDHXFCSA-N 402.514 3.191 0 40 HGAB Cc1cc(N2CCN([C@@H](C)C(=O)Nc3cc(F)ccc3F)CC2)nc(C(C)C)n1 24830052 QADYMBOQPGQINC-HNNXBMFYSA-N 403.477 3.336 0 40 HGAB CN(Cc1coc(-c2cccc(F)c2)n1)S(=O)(=O)c1ccc2c(c1)OCCO2 26777296 CDOLMWKRIUXGAX-UHFFFAOYSA-N 404.419 3.073 0 40 HGAB Cc1ccc(-c2cc(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)n[nH]2)cc1 29893731 SXTNHVQEZYHXCO-UHFFFAOYSA-N 404.470 3.072 0 40 HGAB CC(C)CNC(=O)c1ccccc1NC(=O)COC(=O)CSc1cccs1 31605431 JQNBFNPSXQAPSE-UHFFFAOYSA-N 406.529 3.408 0 40 HGAB CC[C@@H](CNC(=O)COc1ccc(N2CCCC2=O)cc1)N1CCc2ccccc2C1 32446977 RYFKJFPKRQPHLX-NRFANRHFSA-N 421.541 3.145 0 40 HGAB O=c1nc2n(Cc3cccc(C(F)(F)F)c3)cccc-2c(=O)n1Cc1ccccn1 32615369 MSHJBLSNYWJBQO-UHFFFAOYSA-N 412.371 3.020 0 40 HGAB CCOC(=O)N1CCN([C@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)CC1 32799845 HORMZRVJVVQWNR-QWHCGFSZSA-N 402.322 3.333 0 40 HGAB CCN(CC(=O)NC(C)C)CC(=O)N1CCc2sccc2[C@H]1c1cccs1 32856058 YLQCASTVYWDNPL-FQEVSTJZSA-N 405.589 3.130 0 40 HGAB Cc1ccc(N2C[C@H](C(=O)N3CCC(C(=O)c4ccc(O)cc4)CC3)CC2=O)cc1 32898896 MVBQLBAUGJRIFQ-LJQANCHMSA-N 406.482 3.175 0 40 HGAB COC(=O)c1ccc(F)c(NC(=O)[C@@H](C)NC(=O)C23CC4CC(CC(C4)C2)C3)c1 32903231 REVOADWLRLQHSU-HCVBEMKVSA-N 402.466 3.272 0 40 HGAB COc1ccc(NC(=O)CSc2nnc3c4ccccc4n(C)c3n2)c(OC)c1 35289266 QJHKRALWVLDCRH-UHFFFAOYSA-N 409.471 3.265 0 40 HGAB CCOC(=O)CCC(=O)N1CCC[C@H](c2nnc(-c3ccc(OC)cc3)s2)C1 36705213 QJXKEOZLYYKFEQ-HNNXBMFYSA-N 403.504 3.263 0 40 HGAB CCc1ccc([C@@H](CNC(=O)C[C@@H](NC(N)=O)c2ccccc2Cl)N(C)C)cc1 36748064 UJXZBKJSNGALAL-WOJBJXKFSA-N 416.953 3.421 0 40 HGAB COc1ccc2c(c1OC)[C@H](CC(C)=O)N1CCc3cc4c(cc3[C@@H]1C2=O)OCO4 39546137 WCUHXCUQWAQCHR-HRAATJIYSA-N 409.438 3.248 0 40 HGAB CC(C)c1cccc(OCC(=O)N(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)c1 39978579 XCOZBFGHCQIABA-KRWDZBQOSA-N 407.557 3.466 0 40 HGAB CN(C)c1cc(C(=O)Nc2ccnn2Cc2ccc(Br)cc2)ccn1 40131515 GCBNYJCRPZGDOA-UHFFFAOYSA-N 400.280 3.407 0 40 HGAB CC(C)n1cnc2nc(COc3ccccc3NC(=O)c3cccc(F)c3)cc(=O)n21 41077145 QRKNVDXVHLMZRA-UHFFFAOYSA-N 421.432 3.442 0 40 HGAB CCc1ccc(CN(C)C(=O)Cc2ccc(S(=O)(=O)N3CCCC3)s2)cc1 45477698 YHEFYHKLISWQMX-UHFFFAOYSA-N 406.573 3.296 0 40 HGAB O=C(Cn1cnc2ccccc2c1=O)N[C@H](Cc1ccccc1)c1nc2ccccc2[nH]1 51120374 NFOAZLRSXJGSCH-JOCHJYFZSA-N 423.476 3.373 0 40 HGAB O=C(c1ccc(Cl)c(Cl)c1)C1CCN(C(=O)NC[C@H]2COCCO2)CC1 57078680 QVHGWGCONFXHJN-AWEZNQCLSA-N 401.290 3.013 0 40 HGAB C[C@@H](C(=O)Nc1ccc(Br)cc1F)N1CCN(c2nccs2)CC1 57463522 DXZJVXUWOUPQNY-NSHDSACASA-N 413.316 3.194 0 40 HGAB Cc1cc(=O)n(CC(=O)NCc2ccc(F)cc2Cl)c(-c2ccc(F)cc2)n1 57477921 WTLOPIVJXVHIOZ-UHFFFAOYSA-N 403.816 3.467 0 40 HGAB NC(=O)N[C@H](CC(=O)NCc1ccc(CN2CCCCC2)cc1)c1cccs1 58064282 IWKROARRAKQZHJ-GOSISDBHSA-N 400.548 3.150 0 40 HGAB COc1ccc([C@H]2CCCCCN2Cc2nc3ccccc3c(=O)n2CC(N)=O)cc1 58175436 CHRLHRWTHGZMKV-OAQYLSRUSA-N 420.513 3.008 0 40 HGAB CCOc1ccccc1NC(=O)c1nnn(CC(=O)Nc2ccc(F)cc2F)c1C 71327136 AJBFYBZBVPIYKN-UHFFFAOYSA-N 415.400 3.154 0 40 HGAB CC(C)CC(=O)N1CCC[C@H](c2nc(N3CCN(C)CC3)ncc2-c2ccncc2)C1 72348018 RNCNPLUTJYFCEE-FQEVSTJZSA-N 422.577 3.043 0 40 HGAB COc1ccc(Br)c(C(=O)N2CCN([C@@H](C)c3cccnc3)CC2)c1 79353133 RATAZTKNPUTJDP-AWEZNQCLSA-N 404.308 3.372 0 40 HGAB CCOc1ccc([C@H]2CC(c3ccc(OC)cc3OC)=NN2S(C)(=O)=O)cc1 95945335 FQAGAQGVWAYANL-LJQANCHMSA-N 404.488 3.213 0 40 HGAB CC(C)CNC(=O)C[C@@H]1CC2(CCN(C(=O)c3ccnnc3)CC2)Oc2ccccc21 96053536 RHSUEZHLNKEDSY-LJQANCHMSA-N 422.529 3.180 0 40 HGAB C[C@@H]1CN(C(=O)NCc2ccccc2)CC[C@@]12CC[C@H](C(=O)Nc1cccnc1)O2 96087421 BSFZYYBQXFAIEY-LLBVYWAGSA-N 408.502 3.190 0 40 HGAB O=C(Nc1cc(C(F)(F)F)ccc1F)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 97135410 NPHWRKRDNAHFFK-STQMWFEESA-N 424.416 3.045 0 40 HGAB COc1cc(C(=O)NCc2ccc(OC3CCN(C)CC3)cc2)cc(OC)c1OC 104566327 CCROMEATPSCQHG-UHFFFAOYSA-N 414.502 3.115 0 40 HGAB COCCn1c(C)cc(/C=C2/SC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)c1C 107564260 QNXVYJLAEXHYPZ-LICLKQGHSA-N 418.471 3.367 0 40 HGAB NS(=O)(=O)c1ccc(NC(=O)C(=O)c2c(-c3ccccc3)cc3ccccn23)cc1 148783760 PVYXETYDNSSMMI-UHFFFAOYSA-N 419.462 3.075 0 40 HGAB CC[C@@H](C)Nc1ccc(S(=O)(=O)NCCc2ccc(OC)cc2)cc1C(=O)O 217618195 LXMPTVOEYNOBKW-CQSZACIVSA-N 406.504 3.125 0 40 HGAB CCOc1ccccc1CCCNC(=O)[C@H](C)N(c1ccccc1F)S(C)(=O)=O 220315076 IEKPBQJPMKBZJU-INIZCTEOSA-N 422.522 3.128 0 40 HGAB CCC(=O)N(Cc1ccc(F)cc1)[C@H](Cc1ccccc1)C(=O)NC[C@H]1CCCO1 223195003 CNOLLPDZNFXUIT-FGZHOGPDSA-N 412.505 3.471 0 40 HGAB S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2Cc2ccccn2)N1C[C@@H]1CCCO1 223321219 TZVCMGFBVUSUPN-YUXAGFNASA-N 419.554 3.478 0 40 HGAB Cc1ccc(CS(=O)(=O)NCc2nc(-c3cccc(Br)c3)no2)cc1 223641183 UGUHBPDLORQLDL-UHFFFAOYSA-N 422.304 3.427 0 40 HGAB CCCC[C@@H](CC)CNC(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O 223670740 AUNKPGOECSSAES-CQSZACIVSA-N 404.960 3.447 0 40 HGAB CNC(=O)c1cc(S(=O)(=O)Nc2ccc(OC3CCCC3)cc2)ccc1OC 223783771 FQCHSILBILBYKB-UHFFFAOYSA-N 404.488 3.177 0 40 HGAB COC(=O)c1cc(NC(=O)c2ccc(OC)c(COC(C)C)c2)cc(C(=O)OC)c1 224431612 QFYZLVLKMVJYJI-UHFFFAOYSA-N 415.442 3.446 0 40 HGAB CCN(Cc1ccccc1)S(=O)(=O)c1nnc(NC(=O)c2ccccc2C)s1 225715031 JVZDHOPPYIAEJO-UHFFFAOYSA-N 416.528 3.310 0 40 HGAB COc1ccc(S(=O)(=O)N(CC(=O)NCC(C)(C)C)Cc2ccccc2)cc1C 226071531 BKVBYJRXIZCPSA-UHFFFAOYSA-N 418.559 3.357 0 40 HGAB COc1ccc(F)cc1-c1ccc(CC2(C(=O)NC[C@H](C)O)CCOCC2)cc1 257257718 KQUYHNHVXBNKEO-INIZCTEOSA-N 401.478 3.338 0 40 HGAB Cc1ccc(NC(=O)CN2CC[C@@]3(CCCN3CCc3ccccc3)[C@@H](O)C2)cc1 257263669 LQYKIWGCTNRNNH-ZCYQVOJMSA-N 407.558 3.077 0 40 HGAB Cc1ccc([C@@H](C)NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)cc1 260912895 YZBCYKQWLQMVDA-AEFFLSMTSA-N 404.507 3.412 0 40 HGAB C[C@H](C(=O)Nc1ccccc1Br)N(c1ccc(F)cc1)S(C)(=O)=O 408556156 IAKSJZKSKBXUIO-LLVKDONJSA-N 415.284 3.381 0 40 HGAB CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N(CC)CC)C2)cc1Cl 408617382 CTAORRPTCYTMMX-AWEZNQCLSA-N 402.944 3.008 0 40 HGAB O=C(N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1N1CCCCC1)c1ccccc1F 585262311 SONUWHPYSDDBOZ-CZYKHXBRSA-N 416.468 3.130 0 40 HGAB Cc1nc(Nc2cc(C)[nH]n2)cc([C@@H]2CCCN2C(=O)/C=C/c2csc(C)n2)n1 585292162 XLDKXWMWCWPJCY-LXXRFIIISA-N 409.519 3.702 0 40 HGAB Cc1cc(C)n(-c2ccc(=O)n(C3CCN(c4ccnc5ccccc45)CC3)n2)n1 1775969875 PTXOIXXGHQDGIG-UHFFFAOYSA-N 400.486 3.436 0 40 HGAB COc1cccc(NC(=O)N2CCC(Cn3cnc4cc(F)ccc4c3=O)CC2)c1 1888990286 VFHPUMHZLVOGOV-UHFFFAOYSA-N 410.449 3.488 0 40 HGAB Cc1cc(C)n(-c2cc(N3CCN(c4ccc(C(F)(F)F)cn4)CC3)nc(C)n2)n1 1889152067 POBBGXPAAVVEDB-UHFFFAOYSA-N 417.439 3.328 0 40 HGAB CCOC(=O)[C@](NC(=O)c1cccc(Cl)c1)(Nc1nnc(C)s1)C(F)(F)F 2050067 SITLEKIMAPBSRN-AWEZNQCLSA-N 422.816 3.164 0 40 HGAB CCOC(=O)c1c(NC(=O)/C=C/C(=O)O)sc(C(=O)Nc2ccccc2)c1C 2188966 FFCBLBLACIYQJM-MDZDMXLPSA-N 402.428 3.065 0 40 HGAB O=C1c2oc3ccccc3c(=O)c2[C@@H](c2cccc(Br)c2)N1CCCO 2395286 DSKLLKVKCKTJFV-QGZVFWFLSA-N 414.255 3.483 0 40 HGAB O=C(COC(=O)c1cc(=O)c2ccccc2o1)Nc1ccc(Br)cc1F 3232909 AOOHWCLEVGHVCB-UHFFFAOYSA-N 420.190 3.490 0 40 HGAB CCN(c1ccc(NC(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)cc1)C(C)C 3359436 PAOPXFSLLUTVNI-UHFFFAOYSA-N 400.523 3.361 0 40 HGAB CCCCn1c(=O)c2c(nc3n2C[C@H](C)CN3c2cccc(Cl)c2)n(C)c1=O 4249451 KVQUBUAXBWWPGN-CYBMUJFWSA-N 401.898 3.138 0 40 HGAB O=S(=O)(NCCc1csc2nc(-c3ccccc3)nn12)c1ccc(F)cc1 4479863 VGLFQGZELGORMG-UHFFFAOYSA-N 402.476 3.118 0 40 HGAB CN(C)CCCn1c2c(c(SCC(=O)Nc3ccccc3Cl)nc1=O)CCC2 4851818 ZCSABBDFWJRTQQ-UHFFFAOYSA-N 420.966 3.068 0 40 HGAB CCC(C)(C)NC(=O)c1ccc2c(c1)N(CC(=O)N1CCCCC1)C(=O)C(C)(C)O2 4965839 FZIDTVHYGNMXKP-UHFFFAOYSA-N 415.534 3.122 0 40 HGAB CC(=O)C[C@@]1(O)C(=O)N(CCOc2cccc(C)c2)c2ccc(Br)cc21 4988122 VGZOAYNLFXEBGF-FQEVSTJZSA-N 418.287 3.350 0 40 HGAB C[C@@H](OC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)C(=O)NCC1CCCCC1 6465999 PDPVSQDKDWZCJC-MRXNPFEDSA-N 418.509 3.306 0 40 HGAB CCSc1nnc(SCC(=O)Nc2cc(OC)c(OC)c(OC)c2)s1 6787330 KJSVHOSZGLFXOT-UHFFFAOYSA-N 401.535 3.407 0 40 HGAB CCC(C)(C)NC(=O)c1cccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c1 6790670 SSLSXQKPKHMGFL-UHFFFAOYSA-N 415.559 3.116 0 40 HGAB Cc1ccc(NC(=O)COC(=O)[C@@H](CC(C)C)N2C(=O)c3ccccc3C2=O)cc1C 6842302 DATCIWADVAZZGA-HXUWFJFHSA-N 422.481 3.496 0 40 HGAB COc1ccc(OC)c(COC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)c1 7743087 VMNPCZFHOVWOOL-UHFFFAOYSA-N 419.499 3.235 0 40 HGAB CNC(=O)[C@H]1CN(C(=O)c2cccc(NC(=O)c3cccs3)c2)c2ccccc2O1 8861436 OADJPFSRKWMQJS-GOSISDBHSA-N 421.478 3.154 0 40 HGAB COc1cc2c(cc1OC)CN(C(=O)NCCC(=O)Nc1ccc(C)cc1C)CC2 9304611 MFCDVAKMSIFBKY-UHFFFAOYSA-N 411.502 3.417 0 40 HGAB O=C(Nc1nnc(Cc2ccccc2)s1)[C@@H]1CC(=O)N(CCc2ccc(F)cc2)C1 9698763 FALKKLFYXCEWRE-QGZVFWFLSA-N 424.501 3.298 0 40 HGAB Cc1csc2nc(CSc3nc4sc5c(c4c(=O)n3C)CCC5)cc(=O)n12 9955798 DQDZHPXOQGEIKG-UHFFFAOYSA-N 416.553 3.154 0 40 HGAB COc1cn(CC(=O)Nc2cc(C)cc(C)c2)c(CSc2ncccn2)cc1=O 10254884 DLEPVCOUYDTCLX-UHFFFAOYSA-N 410.499 3.195 0 40 HGAB CC(C)[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NC1CCN(C2CC2)CC1 11527202 ABUYMDATXFJPFH-SFHVURJKSA-N 412.361 3.491 0 40 HGAB COc1ccc([C@@H]2[C@@H](C(=O)Nc3ccccc3C)[C@@H](C)Nc3ncnn32)cc1OC 11694818 XUFOALZMZUVPPH-VOBQZIQPSA-N 407.474 3.262 0 40 HGAB COc1cccc(COc2coc(C(=O)NCCc3ccccc3OC)cc2=O)c1 11856951 UXRCSDPKGVZDRJ-UHFFFAOYSA-N 409.438 3.209 0 40 HGAB O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)c1ccccc1CN1C(=O)CNC1=O 11969412 GTIQRSGUGBLBFZ-UHFFFAOYSA-N 407.426 3.032 0 40 HGAB CCN(CC)C(=O)Cn1c([C@@H]2CC(=O)N(c3cccc(OC)c3)C2)nc2ccccc21 12062106 REQVHLJHRUHPBF-QGZVFWFLSA-N 420.513 3.434 0 40 HGAB Cc1cc(-c2snnc2[C@@H]2CCCN(C(=O)COc3ccccc3F)C2)on1 12251964 XGZNBBFSPDQCEY-CYBMUJFWSA-N 402.451 3.426 0 40 HGAB COCCCNC(=O)c1ccccc1NS(=O)(=O)c1cccc(C(F)(F)F)c1 12557075 KOSGDADXGKBARA-UHFFFAOYSA-N 416.421 3.273 0 40 HGAB COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1oc2ccccc2c1COC 12889828 GURQNBNELJQRDA-UHFFFAOYSA-N 421.453 3.105 0 40 HGAB CC[C@H](C(=O)N1CCc2ccccc2C1)N(c1ccc(Cl)cc1)S(C)(=O)=O 13714282 CKXXNGNAOKFVHZ-LJQANCHMSA-N 406.935 3.470 0 40 HGAB O=C(NCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)c1ccc(Cl)cc1Cl 13723096 UZLVQDNENNHIQG-UHFFFAOYSA-N 414.252 3.346 0 40 HGAB CCCn1nnc(NC(=S)NC(=O)c2cccc3c(Br)cccc23)n1 13750723 IPTIWKQLRRSSJL-UHFFFAOYSA-N 419.308 3.126 0 40 HGAB COc1ccc(-c2nnc3n2[C@@H]2CCCC[C@@H]2N(C(=O)c2cc(C)no2)C3)cc1OC 19119991 DOHFQQRPKSIPJS-JKSUJKDBSA-N 423.473 3.398 0 40 HGAB Cc1cc(-c2cnc(N3CCOCC3)nc2[C@@H]2CCCN(C(=O)CC(C)C)C2)on1 19122084 FGNJLCYGWICYSH-QGZVFWFLSA-N 413.522 3.029 0 40 HGAB Cc1cccc2c(C[C@@H](C)NC(=O)CN3C(=O)[C@H]4CC[C@@](C)(C3=O)C4(C)C)c[nH]c12 19236619 WJRFALKMKVAIQJ-RGNVDHMSSA-N 409.530 3.335 0 40 HGAB Cc1nc(C[C@@H](NC(=O)c2ccc3c(c2)nc(C)n3C)c2ccc(F)cc2)cc(=O)[nH]1 19285384 CTNYQCPHFYMIQQ-LJQANCHMSA-N 419.460 3.126 0 40 HGAB CCn1nc(C)c([C@@H](C)NC(=O)[C@@H]2CC(=O)N(CCc3c[nH]c4ccccc34)C2)c1C 19523727 NJDOSFCGDKUMES-DNVCBOLYSA-N 421.545 3.270 0 40 HGAB CCn1ccc(C(=O)N2CCCC[C@@H]2c2nc(O)c3c(n2)CN(C2CCCC2)CC3)n1 19525152 BDINXEKIXVJRTM-HXUWFJFHSA-N 424.549 3.067 0 40 HGAB Cc1cc(=O)n(CC(=O)N[C@@H](c2ccc(F)cc2)c2nccn2C)c2ccccc12 19566492 VKYSFQDMYIXZIA-QFIPXVFZSA-N 404.445 3.088 0 40 HGAB COCC(=O)N1CCC[C@](Cc2ccc(-c3ccc(OC)cc3)cc2)(C(=O)N(C)C)C1 19579096 KMVRKUVVFDFCLE-RUZDIDTESA-N 424.541 3.248 0 40 HGAB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1c(C)cc(C)cc1C 19931262 ADUQMHKYLDAWJD-AZUAARDMSA-N 402.560 3.416 0 40 HGAB CC(C)[C@H](NC(=O)c1ccccc1)C(=O)N1CCN(C/C=C/c2ccccc2)CC1 21835486 ODCDYNQZNRMINK-SRLUVNLFSA-N 405.542 3.299 0 40 HGAB Oc1c([C@@H](c2ccccc2)N2CCN(Cc3ccccc3)CC2)sc2ncnn12 22031154 RUNWZNOXGDDOKZ-LJQANCHMSA-N 405.527 3.404 0 40 HGAB Cc1ccc(N(CC(=O)NCCCc2ccc(F)cc2)S(C)(=O)=O)cc1Cl 22337556 ZTFWABCVUXLFDH-UHFFFAOYSA-N 412.914 3.303 0 40 HGAB Cc1oc(-c2cccs2)nc1COc1ccc(S(=O)(=O)N2CCOCC2)cc1 22419401 MQHZCGNTEDBNNR-UHFFFAOYSA-N 420.512 3.311 0 40 HGAB CCS(=O)(=O)N1CCCc2cc(NC(=O)Nc3ccc4c(c3)OCO4)ccc21 22505209 GPQURWKQVYIWEF-UHFFFAOYSA-N 403.460 3.162 0 40 HGAB CCOC(=O)C1CCN([C@@H](c2cccc(F)c2)c2sc3ncnn3c2O)CC1 22609524 PUPSQWJXBNUFSD-HNNXBMFYSA-N 404.467 3.000 0 40 HGAB O=C(CCn1cnc2c([nH]c3ccc(F)cc32)c1=O)NCCc1ccc(Cl)cc1 23125662 XSTYYSOCALZCMK-UHFFFAOYSA-N 412.852 3.419 0 40 HGAB COc1cc(OC)cc([C@H](NC(=O)c2cnn(-c3ccccc3)c2)c2nccn2C)c1 24925404 LYWBIEHRKJPWGK-NRFANRHFSA-N 417.469 3.142 0 40 HGAB COc1cccc(NC(=O)[C@@H](OC(=O)[C@H]2CCCN(C(C)=O)C2)c2ccccc2)c1 29895748 ZAKRZIVHTOOOEW-RXVVDRJESA-N 410.470 3.177 0 40 HGAB O=C(CN1CCN(Cc2cccc(C(F)(F)F)c2)CC1)N1CCc2ccccc2C1 32759692 RQPXWGTURYCGIS-UHFFFAOYSA-N 417.475 3.408 0 40 HGAB CC1CCN(C(=O)CSc2nc3ccccc3n2CC(=O)NC(C)(C)C)CC1 35312070 GKGDRKWBTFFVLK-UHFFFAOYSA-N 402.564 3.302 0 40 HGAB CCCOc1c(C(N)=O)cn(C)c1-c1nc2cc(NC(=O)CC(C)C)ccc2n1C 36369847 MEGABWUMASSAIN-UHFFFAOYSA-N 411.506 3.451 0 40 HGAB biogenic CN(CC(=O)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1)[C@H]1CCCc2ccccc21 36438396 FFYAHKFABLLOFU-UNMCSNQZSA-N 412.555 3.216 0 40 HGAB COc1ccc(CN2C(=O)[C@@H](CCC(=O)N[C@@H]3CCCc4ccccc43)N=C2O)cc1 36597247 LVUCDAAVEIRAKJ-NHCUHLMSSA-N 421.497 3.294 0 40 HGAB C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(C[C@H](O)COCc1ccccc1Cl)C2=O 37197417 QYDFZAAUKOPNDZ-ZJTDPSCFSA-N 408.926 3.354 0 40 HGAB CCNC(=O)c1cccc(CNC(=O)c2cccnc2SCc2cc(C)on2)c1 40113317 VSIMHDQYEXOOGQ-UHFFFAOYSA-N 410.499 3.350 0 40 HGAB C[C@H]1CN(c2ccccc2NC(=O)N(C[C@@H]2CCCO2)C[C@@H]2CCCO2)C[C@@H](C)O1 40151793 ZDFVIULGOCFCES-YRPNKDGESA-N 417.550 3.492 0 40 HGAB CC(C)COc1ccc(NC(=O)N2CCN(CC(=O)N3CCCC3)CC2)cc1Cl 48373840 JYWJVJWURZXHBW-UHFFFAOYSA-N 422.957 3.147 0 40 HGAB CCOC(=O)N1CCC(NC(=O)Nc2ccc(N3CCSCC3)cc2C)CC1 51673493 UXUKPEDQDLXCNO-UHFFFAOYSA-N 406.552 3.291 0 40 HGAB CC(C)C(=O)N1CCN(c2cc(Br)c(N)c(Br)c2)CC1 57332526 JIVSAIRZQAODAM-UHFFFAOYSA-N 405.134 3.098 0 40 HGAB O=C(Nc1cccc(C(F)(F)F)c1)[C@@H](N[C@@H]1CCS(=O)(=O)C1)c1ccccc1 57432008 OAVFWBLMOHEPMC-SJORKVTESA-N 412.433 3.162 0 40 HGAB Cc1cccc(-n2c(SCC(=O)NC[C@H]3CCCO3)nc3ccsc3c2=O)c1 57487396 AZWHTFCEHYAHCD-OAHLLOKOSA-N 415.540 3.143 0 40 HGAB CCOc1ccc(OCCOc2ccc(CNCC(=O)N(C)C)cc2OCC)cc1 57681796 UODJFJHCNSJZRT-UHFFFAOYSA-N 416.518 3.120 0 40 HGAB CCCCOC(=O)c1ccc(NC(=O)Cc2csc(N3CCCNC3=O)n2)cc1 58250240 QMDOHDHRENPUFH-UHFFFAOYSA-N 416.503 3.201 0 40 HGAB O=C(NCc1cccnc1-n1cncn1)Nc1cccc(COCc2ccco2)c1 58280235 GOUBURDYMOPFAS-UHFFFAOYSA-N 404.430 3.294 0 40 HGAB O=C(Cn1ncn2nc(-c3cccc4ccccc34)cc2c1=O)N1CCc2ccccc21 67208616 RYDMZEBTTISBJZ-UHFFFAOYSA-N 421.460 3.301 0 40 HGAB CCc1ccc(-c2cc3c(=O)n(CC(=O)Nc4cc(F)ccc4F)ncn3n2)cc1 67208864 BRKXGLLYHLKTDZ-UHFFFAOYSA-N 409.396 3.037 0 40 HGAB CC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@H](O)C/C=C\C(=O)O)[C@H]21 67665322 ZUPFYFUSMUSEPD-CODQVJQHSA-N 406.519 3.246 0 40 HGAB in-vitro COc1ccc(OC)c(C(F)(F)C(=O)NCc2cccc(OCCN(C)C)c2)c1 72313180 JGHVBGHDNGEYPT-UHFFFAOYSA-N 408.445 3.052 0 40 HGAB O=C(c1cccnc1N1CCOCC1)N(Cc1ccccc1Br)C1CC1 84504605 JJISLEZUOJTTJK-UHFFFAOYSA-N 416.319 3.486 0 40 HGAB O=C(NCCSc1ccc(Cl)cc1)C1CCN(c2ncnc3[nH]cnc23)CC1 95479094 OBDIUCZGCUAPPI-UHFFFAOYSA-N 416.938 3.131 0 40 HGAB O=C(Cc1ccc2ccccc2c1)N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 96005262 ZENRSGBYSYMQGS-OAQYLSRUSA-N 400.544 3.235 0 40 HGAB CO[C@H]1CCN(CC(=O)Nc2cccc(Cl)c2)[C@H](CNC(=O)OC(C)(C)C)C1 96006544 NKDNGLRTAMQACO-IRXDYDNUSA-N 411.930 3.283 0 40 HGAB Cc1nc2ncnn2c(O)c1CCSc1nnc(NCc2ccc(F)cc2)s1 96010394 ZKFIKIRGRBSRMB-UHFFFAOYSA-N 417.495 3.076 0 40 HGAB COC(=O)C[C@@H](c1ccc(OCCn2cccn2)cc1)c1c(O)ccc2nsnc12 96230863 SXLUIFHELSNFJV-INIZCTEOSA-N 424.482 3.367 0 40 HGAB COCc1ccc(C(=O)N2CCC(c3nc(O)c4c(n3)CN(C(C)C)CC4)CC2)cc1 96319714 JXIDYZSKFIRUJV-UHFFFAOYSA-N 424.545 3.115 0 40 HGAB C[C@@H](C[C@@H]1COCCN1C(=O)OC(C)(C)C)NCc1ccccc1-n1ccnc1 97162371 LPPXRIXULZMQGG-PKOBYXMFSA-N 400.523 3.376 0 40 HGAB O=C(Cc1cccc(F)c1)N1Cc2nc3cc(-c4ccc(F)cc4)nn3c(O)c2C1 100215589 OABMCWJOUITQGK-UHFFFAOYSA-N 406.392 3.465 0 40 HGAB COc1cc(/C=C2/NC(=S)N(C3CCCCC3)C2=O)ccc1OC(=O)C1CC1 101448224 CCNGUKBYJWLIHI-LFIBNONCSA-N 400.500 3.401 0 40 HGAB COc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccc(O)cc4)[C@H]3C2=O)cc1 102704807 CSAGVHLTZREPBO-YPAWHYETSA-N 416.433 3.452 0 40 HGAB CCCCNC(=O)CN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1ccccc1 113932964 PKOFBSCJVMRAIO-UHFFFAOYSA-N 410.923 3.460 0 40 HGAB CC[C@H](C(=O)N[C@H](C)c1ccc(OC)cc1)N(c1ccccc1F)S(C)(=O)=O 113967814 BXTAMBVYTOYKEX-RDTXWAMCSA-N 408.495 3.256 0 40 HGAB COc1ccc(CCNC(=O)c2cccc(S(=O)(=O)N3CCC(C)CC3)c2)cc1 219995553 OMAIVFKWKVCCRP-UHFFFAOYSA-N 416.543 3.088 0 40 HGAB COc1ccccc1N(CCCC(=O)N1CCCc2ccccc21)S(C)(=O)=O 222583298 ZNEFVKCRRKSKTC-UHFFFAOYSA-N 402.516 3.221 0 40 HGAB COC(=O)CSc1nnc(NC(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)s1 222728731 USNQAAJSTOMGSJ-VIFPVBQESA-N 401.897 3.171 0 40 HGAB CCS(=O)(=O)N1CCC(C(=O)N[C@@H](C)c2cc(C(C)C)c(OC)cc2C)CC1 223368435 OHHPGHCPKFYDFB-INIZCTEOSA-N 410.580 3.366 0 40 HGAB CCOc1ccc(N([C@@H](C)C(=O)NC[C@@H](C)c2ccccc2)S(C)(=O)=O)cc1 223707696 FXBISNFQLYCOTB-SJORKVTESA-N 404.532 3.160 0 40 HGAB CC(=O)Nc1nnc(S(=O)(=O)N[C@H]2CC3(CCCCC3)Oc3ccccc32)s1 224142395 WEXMYNUDZCEDQK-AWEZNQCLSA-N 422.532 3.002 0 40 HGAB CCC1(CC)C[C@H](NS(=O)(=O)c2ccc(S(C)(=O)=O)cc2)c2ccccc2O1 224590637 BGDRASUGIJTQAO-SFHVURJKSA-N 423.556 3.451 0 40 HGAB C[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1ccc(N2CCCC2)cc1 224936955 LZIUBZLONFENDD-MRXNPFEDSA-N 417.531 3.089 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)N1CCC(C)CC1 225855551 HBIQEDXRXJHFRP-UHFFFAOYSA-N 408.564 3.061 0 40 HGAB CCN1CCN(c2ccc(N)cc2NC(=O)c2cccc(Br)c2)CC1 226258828 LVUORHXFTFONBN-UHFFFAOYSA-N 403.324 3.426 0 40 HGAB Cc1onc(C(C)C)c1C(=O)N1CCC[C@@](COc2ccc(F)cc2)(CC(N)=O)C1 257211172 BXTRNVWDEAQCDS-JOCHJYFZSA-N 417.481 3.422 0 40 HGAB Cc1nc([C@@H]2CCCN(C(=O)c3cccc(F)c3)C2)nc(C)c1CC(=O)NC(C)C 257235719 GZBUGNWAROTJNR-GOSISDBHSA-N 412.509 3.319 0 40 HGAB CCOc1ccc(NC(=O)Cn2cc(C(=O)C(=O)N3CCCC3)c3ccccc32)cc1 408564791 AGTZPCFMSXKKLU-UHFFFAOYSA-N 419.481 3.484 0 40 HGAB CCOc1ccc(CNC(=O)c2ccccc2NC(=O)[C@@H]2CC(=O)N(C(C)C)C2)cc1 408615839 SVMUIEGUMVQTSP-GOSISDBHSA-N 423.513 3.211 0 40 HGAB Cc1cccc(NC(=O)CSc2nnc(CNC(=O)c3cccc(C)c3)n2C)c1 409058538 NUPCIPLVDKODRT-UHFFFAOYSA-N 409.515 3.093 0 40 HGAB CCOC(=O)COc1ccc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)cc1OC 409248970 MGMVWVSAKAILSE-WOJGMQOQSA-N 424.453 3.038 0 40 HGAB O=C1CCCN1C[C@@H](NC[C@H](O)COc1ccccc1)c1cccc(C(F)(F)F)c1 539220833 LYRUVBBMHSMZMJ-AZUAARDMSA-N 422.447 3.398 0 40 HGAB C[C@]1(c2cccc(-c3noc([C@H]4C[C@@]45CCc4ccccc45)n3)c2)NC(=O)NC1=O 544346548 UXZVJEUKXHXOGT-NLSFWIRASA-N 400.438 3.163 0 40 HGAB Cc1cc(I)cc(C(=O)N2CCN(c3ccncc3)CC2)c1C 610797336 BMHNHTUWNSIENO-UHFFFAOYSA-N 421.282 3.265 0 40 HGAB CCN(Cc1ccccc1)c1ccc(C(=O)N2CCC3(CC2)CNC(=O)N3C)cc1 622734274 LXQSCZXOXDKHRX-UHFFFAOYSA-N 406.530 3.343 0 40 HGAB COC(=O)c1cn(Cc2ccco2)c(=O)c2cnc3c(-c4ccccc4)cnn3c12 1548338214 IEBDZSYBBCHDHN-UHFFFAOYSA-N 400.394 3.139 0 40 HGAB COCCc1ccc(Oc2ccc(NC(=O)NC3CN(c4ccncn4)C3)cc2)cc1 1562363677 GAFPCHKLRBPJBV-UHFFFAOYSA-N 419.485 3.468 0 40 HGAB O=C(c1onc2c1CCCC2)N1C[C@@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@H]2C1 1888854332 ZACXQMGUUKJOKA-STQMWFEESA-N 406.408 3.176 0 40 HGAB COC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccc(OCc2ccccc2F)c(OC)c1 724946 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419.510 3.372 0 40 HGAB COC(=O)c1c(NC(=O)c2ccccc2SC)sc2c1CCN(C(C)=O)C2 4517431 WMRHCTQXRBYKSK-UHFFFAOYSA-N 404.513 3.414 0 40 HGAB O=C(CSc1nnc(-c2ccccc2F)o1)Nc1ccc(N2CCOCC2)cc1 4891319 CWVHQWJPPRRSDG-UHFFFAOYSA-N 414.462 3.443 0 40 HGAB Cc1cc(C)cc(OCC(=O)N(Cc2ccc(F)cc2)[C@@H]2CCS(=O)(=O)C2)c1 5215566 JBIHQLONCPPUPV-LJQANCHMSA-N 405.491 3.037 0 40 HGAB COc1cc(S(=O)(=O)Nc2ccc(N3CCCCC3)cc2)ccc1NC(C)=O 5601980 APZNOBYBCLANRI-UHFFFAOYSA-N 403.504 3.445 0 40 HGAB CC1=C(C(N)=O)[C@@H](c2ccc(Cl)cc2)n2nc(-c3ccc(N(C)C)cc3)nc2N1 6732431 RRAFCZXBOZMANT-GOSISDBHSA-N 408.893 3.439 0 40 HGAB COc1ccc(COC(=O)CN2C(=O)N[C@]3(C[C@H](C)CC(C)(C)C3)C2=O)cc1F 6944549 UCCSWXOJTGTGHX-ASSNKEHSSA-N 406.454 3.014 0 40 HGAB COc1cc2c(cc1OC)CN(C(=O)CSc1nc(-c3cccs3)n[nH]1)CC2 7005901 WOCBFIFMVXHHON-UHFFFAOYSA-N 416.528 3.227 0 40 HGAB CCn1c(SCC(=O)Nc2nccs2)nnc1-c1cccc(NC(C)=O)c1 7610205 ZWIHUHDNYTZLKQ-UHFFFAOYSA-N 402.505 3.111 0 40 HGAB CCc1ccccc1NC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1 7724257 VHAZVICAYYIQBD-HOTGVXAUSA-N 402.516 3.299 0 40 HGAB O=C(Cn1ncc(=O)c2ccccc21)N1CCC[C@@H](c2nc3ccccc3s2)C1 8132752 ONSBRXFLOGFJLM-OAHLLOKOSA-N 404.495 3.412 0 40 HGAB COc1ccc(Cl)cc1NC(=O)[C@H](C)NS(=O)(=O)c1ccc(Cl)cc1 8220297 WUVRPHWRMPIQJA-JTQLQIEISA-N 403.287 3.308 0 40 HGAB CC[C@H](Oc1ccccc1F)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 8477848 PINQCJXXVPILGA-SFHVURJKSA-N 406.479 3.406 0 40 HGAB Cc1cccc(Cn2c(NCc3ccccc3Cl)nc3c2c(=O)n(C)c(=O)n3C)c1 8774845 YKWSQVITYHQMDB-UHFFFAOYSA-N 423.904 3.056 0 40 HGAB O=C(Nc1nc2c(s1)CC[C@H]2C(=O)NCc1ccc2c(c1)OCO2)c1ccccc1 9131212 QUHHIROFXGFOLL-OAHLLOKOSA-N 421.478 3.470 0 40 HGAB Cc1ccc(S(=O)(=O)N(CC(=O)NCC(F)(F)F)Cc2ccc(F)cc2)cc1 9442290 ICNWLCBTQVVZSR-UHFFFAOYSA-N 418.412 3.004 0 40 HGAB Cc1c(C)c(C)c(S(=O)(=O)Nc2ccc3c(c2)C(=O)N(C)CCO3)c(C)c1C 9828163 VHDYPBBRPSKKPZ-UHFFFAOYSA-N 402.516 3.494 0 40 HGAB COC(=O)c1ccc(NC(=O)c2c[nH]c3c(c(C)nn3-c3ccccc3)c2=O)cc1 10166774 KWMIFXCIGDGASN-UHFFFAOYSA-N 402.410 3.061 0 40 HGAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(C)c(NS(C)(=O)=O)c1 10315252 SNNMYJHURWBOSU-AWEZNQCLSA-N 403.504 3.147 0 40 HGAB COC(=O)c1ccc(NC(=O)CCCn2nc(-c3ccc(C)cc3)ccc2=O)cc1 12441103 MGIGQUVIADMCPT-UHFFFAOYSA-N 405.454 3.424 0 40 HGAB COc1ccc([C@H](O)C[C@@H]2c3c(cc4c(c3OC)OCO4)CCN2C)c(OC)c1 12660522 YLFOXWHTQSYROJ-IAGOWNOFSA-N 401.459 3.094 0 40 HGAB biogenic CCc1cccc(NC(=O)CNC(=O)CNC(=O)c2ccc(Cl)cc2Cl)c1 12728945 JQHPHQNBCCAUEB-UHFFFAOYSA-N 408.285 3.041 0 40 HGAB C[C@@H]1CCC[C@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)[C@@H]1C 12740158 TZOKBTIMPLNCKU-LPMFXHHGSA-N 414.518 3.306 0 40 HGAB COC(=O)[C@H](c1ccccc1Cl)N1CCN(C(=O)c2ccccc2OC)CC1 12997725 OSFGAACODUKHTA-IBGZPJMESA-N 402.878 3.021 0 40 HGAB Cc1cccc(C)c1OCC(=O)N1CCN(Cc2nc(-c3cccs3)no2)CC1 14422190 WCAYUVKDZRHJGU-UHFFFAOYSA-N 412.515 3.138 0 40 HGAB COc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)cc1OC 15589133 VLFKHWTUHXFPAQ-UHFFFAOYSA-N 424.906 3.394 0 40 HGAB CCOC(=O)c1ccc(COc2ccc(N3C(=O)[C@H]4[C@@H]5C=C[C@@H](C5)[C@@H]4C3=O)cc2)o1 16687903 BXGYIWJXGMPZCM-ILWKUFEGSA-N 407.422 3.347 0 40 HGAB COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)c(F)c4)C(=O)[C@H]3N3CCCN23)cc1 19166835 HWWGJZVERBDGHY-QRVBRYPASA-N 415.852 3.023 0 40 HGAB Cc1ccc(-c2c(-c3ccncc3)cnn2CCNC(=O)c2c(C)noc2C)cn1 19215010 FNWJLGLRXUZDAR-UHFFFAOYSA-N 402.458 3.350 0 40 HGAB COC(=O)c1[nH]c2ccccc2c1NC(=O)CCN1CCN(C2CCCCC2)CC1 19372020 HXLSTRUOQIOACT-UHFFFAOYSA-N 412.534 3.233 0 40 HGAB O=C1CCCCCN1CC(=O)N1CCC[C@@H]1c1nnc(-c2nccc3ccccc23)o1 19376441 ZZFZGLBQWRLPTI-GOSISDBHSA-N 419.485 3.351 0 40 HGAB CCC(=O)N1CCO[C@@](Cc2cccc(-c3cccc(F)c3)c2)(C(=O)NC2CC2)C1 19498966 JIGSHIUGHQBUDY-XMMPIXPASA-N 410.489 3.321 0 40 HGAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2cc(F)ccc2C)cc1Cl 20016280 KSVKOFIXOIFTMM-GFCCVEGCSA-N 414.886 3.492 0 40 HGAB CC(C)N(C(=O)[C@H](C)Sc1nnc([C@H]2COc3ccccc3O2)n1C)C(C)C 21603253 WFZWJZGVZCMYIR-WMLDXEAASA-N 404.536 3.454 0 40 HGAB COc1ccc(-c2noc(CN3CCN(C(=O)c4cccc(C)c4C)CC3)n2)cc1 22603883 GEAVTSXQPFUPAT-UHFFFAOYSA-N 406.486 3.320 0 40 HGAB Cc1ccc(CNC(=O)CN2CCN(Cc3ccc(Br)s3)CC2)cc1 22913819 BTCBYHUGTDWHTG-UHFFFAOYSA-N 422.392 3.253 0 40 HGAB Cc1nn(CN(C)Cc2ccc(C(=O)NCC(F)(F)F)cc2)c(=O)c2ccccc12 29889367 NLYHFWYHELHVCS-UHFFFAOYSA-N 418.419 3.087 0 40 HGAB CC(C)c1ccc(C(=O)N2CCN(C(=O)CCc3ccc4c(c3)OCO4)CC2)cc1 30883470 NPRWZISEEVNDNL-UHFFFAOYSA-N 408.498 3.456 0 40 HGAB CC(=O)c1cccc(NS(=O)(=O)c2cc(C(=O)O)sc2Br)c1 32586101 MTKFUPQBFKZBGE-UHFFFAOYSA-N 404.263 3.212 0 40 HGAB COc1ccccc1N1C(SCc2ccc(F)cc2)=N[C@H]2CS(=O)(=O)C[C@H]21 32639909 QXVKFVLTQXYGEN-DOTOQJQBSA-N 406.504 3.109 0 40 HGAB CCCn1c(=O)n(CC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)c2ccccc21 32824187 ACKUPGYLMZCFQQ-SFHVURJKSA-N 421.497 3.348 0 40 HGAB COC(=O)c1ccc(CNC(=O)[C@@H](C)Sc2nc3ncc(Cl)cc3[nH]2)cc1 32878913 YBRMGIOWBYSRCH-SNVBAGLBSA-N 404.879 3.195 0 40 HGAB Cn1ccnc1[C@H](NC(=O)CCC(=O)N1CCC(c2ccccc2)=N1)c1ccccc1 32899735 IKNBKGLCRSOHOD-HSZRJFAPSA-N 415.497 3.043 0 40 HGAB CCc1ccc(-c2ccc(=O)n(CCc3nc(-c4ccc5c(c4)OCO5)no3)n2)cc1 33309793 PBAVDCURWRXZBV-UHFFFAOYSA-N 416.437 3.494 0 40 HGAB CCOc1cccc(/C=C2\SC(=O)N(CC(=O)N3CCCCCC3)C2=O)c1O 33608508 UMJIJPAOXSODRV-VBKFSLOCSA-N 404.488 3.230 0 40 HGAB CC(C)[C@@H](NC(=O)Nc1ccccc1)C(=O)Nc1ccc(-c2nnnn2C2CC2)cc1 40051920 ZTLJJNHNBDWAOE-LJQANCHMSA-N 419.489 3.460 0 40 HGAB O=C(c1cc(-c2cccnc2)on1)N1CCN(CCOc2ccc(Cl)cc2)CC1 40130642 IRALYZXKMCQXJE-UHFFFAOYSA-N 412.877 3.227 0 40 HGAB Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)NCc3ccnc(-n4cccn4)c3)C2)c1 40153964 HEWFKXWTAYAHQG-FQEVSTJZSA-N 417.513 3.053 0 40 HGAB Cc1cccc(NC(=O)CCC(=O)N2CCN(c3nsc4ccccc34)CC2)n1 40285631 VRCCCCGMGGSDHV-UHFFFAOYSA-N 409.515 3.067 0 40 HGAB CCOc1ccc(S(=O)(=O)NCCCN2C[C@@H](C)O[C@H](C)C2)c2ccccc12 48289403 RJJLBVWMYCQSDB-IAGOWNOFSA-N 406.548 3.016 0 40 HGAB O=C(CN1CCC[C@@H]1c1nnc2ccccn12)N1CCC(Cc2ccccc2)CC1 48308569 IFYALSPKJQKRMQ-OAQYLSRUSA-N 403.530 3.348 0 40 HGAB CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CN(C)CCOc2ccccc2F)C1=O 49574870 ATPXCAVSPQWMSU-NRFANRHFSA-N 403.429 3.090 0 40 HGAB O=C(COc1ccccc1)NC[C@H](c1ccco1)N1CCN(c2ccc(F)cc2)CC1 56945465 MCZFZEAHGGCSTD-JOCHJYFZSA-N 423.488 3.477 0 40 HGAB Cc1ccccc1Nc1nc(N)nc(CN2CCC(C(=O)Nc3ccccc3)CC2)n1 57389728 CABCHDPCSQLXSM-UHFFFAOYSA-N 417.517 3.357 0 40 HGAB C[C@H]1CN(CCNC(=O)c2cccc(-n3nccc3-c3ccccc3)c2)C[C@H](C)O1 63091598 LEHWUEGVPLZKRU-OALUTQOASA-N 404.514 3.378 0 40 HGAB CCCn1c(=O)c2ccc(Cl)cc2n2c(=O)n(CC(=O)c3cc(C)ccc3C)nc12 64860810 UQKGWVJJFJIBHC-UHFFFAOYSA-N 424.888 3.374 0 40 HGAB Cn1nc([C@@H]2CCCN(C(=O)c3nc4ccccc4s3)C2)n(-c2ccccc2)c1=O 77100581 GXWZBHWFOOHJFC-OAHLLOKOSA-N 419.510 3.201 0 40 HGAB CCC[C@H](NC(=O)[C@H](C)OC(=O)c1c[nH]c(=O)c(Br)c1)c1ccccc1 79052519 GJTFGFNDUMKLTN-LRDDRELGSA-N 421.291 3.340 0 40 HGAB COC(=O)CC1CCN(C(=O)c2ccc(CSc3nc(C)cc(C)n3)o2)CC1 79482063 SWAQJVDVFDBLDN-UHFFFAOYSA-N 403.504 3.394 0 40 HGAB CC(C)(C)OC(=O)NC[C@@H]1CC[C@H](C(=O)Nc2cnn(-c3ccccc3F)c2)O1 89662559 WFGAURRQVUDMAN-WMLDXEAASA-N 404.442 3.022 0 40 HGAB CCc1cccc(CC)c1NS(=O)(=O)c1cc(CCNC(C)=O)ccc1OC 95453947 DUIZOAKEQXUMNJ-UHFFFAOYSA-N 404.532 3.299 0 40 HGAB CCc1cnc(N2CC[C@@H]3CN(Cc4cccc(Cl)c4)S(=O)(=O)[C@@H]3CC2)nc1 96145424 LBESSBGAUFVQGY-IEBWSBKVSA-N 420.966 3.123 0 40 HGAB Cc1c(C)c2cc(Cl)c(OCC(=O)NC[C@H]3CC[C@H](C(=O)O)CC3)cc2oc1=O 100764146 TYLFKCCYMUAHSL-OKILXGFUSA-N 421.877 3.449 0 40 HGAB Cc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)N3CC[C@H](C)[C@H]4CCCC[C@H]43)=C2)cc1 103710465 FGFFGUWDGCADLG-ILZDJORESA-N 415.559 3.285 0 40 HGAB CCOc1ccc(N(CCCC(=O)NCc2cccc(C)c2)S(C)(=O)=O)cc1 113961738 VAAKPUHGQYEAEI-UHFFFAOYSA-N 404.532 3.256 0 40 HGAB CC(C)Oc1ccc(CNC(=O)[C@H](C)N(c2cccc(F)c2)S(C)(=O)=O)cc1 113967032 FUTKVJNPWBPSFD-HNNXBMFYSA-N 408.495 3.084 0 40 HGAB CC[C@H](C(=O)NCCOc1ccc(C)cc1)N(c1ccc(C)c(C)c1)S(C)(=O)=O 219121125 OUQHCHDQYHHMIR-OAQYLSRUSA-N 418.559 3.352 0 40 HGAB COc1ccccc1[C@H](C)NC(=O)[C@@H](C)N(c1cccc(Cl)c1)S(C)(=O)=O 222912696 XRVBNYXFDLMXSF-UONOGXRCSA-N 410.923 3.381 0 40 HGAB COc1ccc(S(=O)(=O)NCCc2ccc(Cl)cc2)cc1C(=O)NC(C)C 224224661 BYMASYFYECDTTQ-UHFFFAOYSA-N 410.923 3.008 0 40 HGAB CCN(c1ccc(Cl)c(C(=O)OC)c1)S(=O)(=O)c1ccc(OC)c(F)c1 225115115 ZHUKKOHNCGTKET-UHFFFAOYSA-N 401.843 3.490 0 40 HGAB COc1ccc(S(=O)(=O)NCCCOC(C)C)cc1NC(=O)c1ccccc1 408553983 AQRVXZGEHVTTRE-UHFFFAOYSA-N 406.504 3.041 0 40 HGAB COCCNC(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)ccc1C 408600311 ABDJOEVPKIRXCW-UHFFFAOYSA-N 417.314 3.479 0 40 HGAB O=C(Nc1ccccc1C(=O)O)c1ccc(N2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1 408672684 OPBHSGDPMXPVIH-YXUGBTPSSA-N 404.422 3.173 0 40 HGAB CCc1ccc(/C=C2/C(=O)N(c3ccc(OC)cc3)C(=S)N2CC(=O)OC)cc1 409058559 YSMOEUJGPHOPSF-UYRXBGFRSA-N 410.495 3.405 0 40 HGAB CCCCNC(=O)CN1C(=O)S/C(=C\c2cc(OC)c(OC)cc2Cl)C1=O 409211736 OJNYYTKJOXHYMD-NVNXTCNLSA-N 412.895 3.310 0 40 HGAB C[C@]1(c2cccc(-c3noc([C@@H]4C[C@@]45CCc4ccccc45)n3)c2)NC(=O)NC1=O 544346547 UXZVJEUKXHXOGT-JJEOQYAHSA-N 400.438 3.163 0 40 HGAB CC(=O)c1cccc(S(=O)(=O)NC[C@H](c2cccs2)n2nc(C)cc2C)c1 585369415 YUBGTXFQYOOMHG-GOSISDBHSA-N 403.529 3.332 0 40 HGAB CC1(C)[C@@H](c2cc(F)c(F)c(F)c2)CCN1C(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 1646181643 IJIAHZBTUJUENW-GFCCVEGCSA-N 417.387 3.042 0 40 HGAB COC(=O)Nc1ccc(S(=O)(=O)NC[C@@H](O)c2ccc(-c3ccco3)s2)cc1 1775969057 VOTDTKXVFMNGAH-CQSZACIVSA-N 422.484 3.198 0 40 HGAB Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](COc2ncccc2C(F)(F)F)C1 1775969467 TUFDRQAJQRAGMD-CYBMUJFWSA-N 419.425 3.185 0 40 HGAB CCCCC(=O)N1CCC[C@@](COc2ccccc2)(CC(=O)N2CCOCC2)C1 2037905416 BRCDMRBDYFKBCJ-HSZRJFAPSA-N 402.535 3.113 0 40 HGAB Cc1cnc(C)c(OC2CCN(c3nc4c(S(C)(=O)=O)cccc4s3)CC2)n1 2087046259 QXUVOTVGGNZZDA-UHFFFAOYSA-N 418.544 3.154 0 40 HGAB O=C(c1cccs1)[C@@H]1[C@@H](c2ccc(F)cc2)NC(=S)N[C@]1(O)C(F)(F)F 945421 STEYOCFEPKCBKG-YWPYICTPSA-N 404.410 3.156 0 40 HGAB CCSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1[C@@H](C)CC 3312886 VKJWACLIMKUFQB-AWEZNQCLSA-N 410.565 3.049 0 40 HGAB CCOc1ccc(NC(=O)CN(C)CC(=O)Nc2ccc(F)c(F)c2)cc1OCC 3541669 QHZPELVZCJMNAC-UHFFFAOYSA-N 421.444 3.271 0 40 HGAB COc1ccc([C@@H]2CC(c3ccc(OC)c(OC)c3)=NN2C(=O)CCC(=O)O)cc1 4194580 CKULKANOCVZWHY-SFHVURJKSA-N 412.442 3.255 0 40 HGAB COc1ccccc1N1C(=O)N(c2ccc(C)c(Cl)c2)[C@H]2CS(=O)(=O)C[C@H]21 4387450 RTQBKCNQXHHLSI-DLBZAZTESA-N 406.891 3.269 0 40 HGAB COC(=O)C1=C(CSc2nnc(C)s2)NC(=O)N[C@@H]1c1ccc(C)cc1C 4436503 YPNDRTZQMAXRFB-OAHLLOKOSA-N 404.517 3.037 0 40 HGAB COc1ccc(N2C[C@@H](NC(=O)Nc3ccccc3SC)CC2=O)cc1OC 4479829 LWHZCUSZFOMNJH-ZDUSSCGKSA-N 401.488 3.353 0 40 HGAB CC1CCN(C(=O)CSc2nc3ccccc3n2CC(=O)NC2CCCC2)CC1 4859107 LAXDGYKPNJKZOB-UHFFFAOYSA-N 414.575 3.446 0 40 HGAB C[C@H](NS(=O)(=O)c1cccc(C(=O)OCC(=O)c2ccc[nH]2)c1)c1ccccc1 4984105 UWXOYKMDUPHGAS-HNNXBMFYSA-N 412.467 3.094 0 40 HGAB CCOc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccccc3CC)C2)cc1 5037652 CGZKFPORRHTVDV-QGZVFWFLSA-N 410.470 3.183 0 40 HGAB O=C(CSc1nnc(CNC(=O)c2ccccc2)o1)NCc1ccccc1Cl 5107336 UOUUYNYMJHABGN-UHFFFAOYSA-N 416.890 3.062 0 40 HGAB CC(C)CCN1N=C(C(C)(C)C)Cn2c1nc1c2c(=O)n(CCC(C)C)c(=O)n1C 5148197 ARWCTYIWDNPHSC-UHFFFAOYSA-N 416.570 3.211 0 40 HGAB Cc1cccc(Oc2ccc(NC(=O)C3=CC=CN4CCS(=O)(=O)N=C34)cc2)c1 5279511 MNIPKPBXCNYLLX-UHFFFAOYSA-N 409.467 3.223 0 40 HGAB O=C([C@H]1Cc2ccccc2CN1C(=O)c1ccco1)N1CCN(c2ccccc2)CC1 6831512 TZVLLHJVGHCLIA-JOCHJYFZSA-N 415.493 3.196 0 40 HGAB O=C1O[C@H](C(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)Cc2ccccc21 6879417 ZHRRIPRHYUMIGI-IBGZPJMESA-N 402.454 3.392 0 40 HGAB CCCN(Cc1nnc(-c2ccco2)o1)C(=O)[C@H]1CC(=O)N(c2ccc(C)cc2)C1 6882277 JLRXUCJCEKMEPC-INIZCTEOSA-N 408.458 3.430 0 40 HGAB C=CCOc1ccc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)cc1OCC 6961042 ZASOYDIKJLGORH-QGOAFFKASA-N 416.499 3.309 0 40 HGAB CCOc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N([C@H](C)c3ccccc3)C2)cc1 7232501 NFHCPTQKGJIBIV-AEFFLSMTSA-N 410.470 3.177 0 40 HGAB COc1ccc(CNC(=O)[C@@H](C)Sc2nc(-c3cccs3)n[nH]2)cc1OC 7260103 DHLQOWVTLJYWKS-LLVKDONJSA-N 404.517 3.347 0 40 HGAB O=C1O[C@H]2[C@H](O)C[C@@H]1[C@@H]1[C@H]2N(Cc2cccs2)C(=S)N1c1ccc(Cl)cc1 8253662 KZQYRSJAWFOWPL-HHARLNAUSA-N 420.943 3.052 0 40 HGAB biogenic,in-vitro O=C(CNc1ccccc1C(=O)NCc1ccccc1)Nc1ccc2c(c1)OCCO2 8746779 QASDBRFHJSMIDK-UHFFFAOYSA-N 417.465 3.438 0 40 HGAB C[C@H]1CC(=O)NN1CC(=O)Nc1cc(-c2ccc3c(c2)CCC3)nn1-c1ccccc1 8848530 DMSKZQFDJALRAX-INIZCTEOSA-N 415.497 3.092 0 40 HGAB Cc1nc2c(=O)n(CC(=O)NC3CCCCC3)nc(-c3ccc(F)cc3)c2s1 8955519 PNGTZWJBSXEUIW-UHFFFAOYSA-N 400.479 3.416 0 40 HGAB COC(=O)C1=C(CSc2nc3ccccc3[nH]2)NC(=O)N[C@@H]1c1cccc(OC)c1 8994161 BIULHCRAAJAKRY-GOSISDBHSA-N 424.482 3.145 0 40 HGAB Cc1cc(OCC(=O)N=c2[nH]c3ccccc3[nH]2)c2c3c(c(=O)oc2c1)CCCC3 9060187 LNDTUKSVNIIUDN-UHFFFAOYSA-N 403.438 3.296 0 40 HGAB COc1cn(CC(=O)Nc2ccc(F)cc2)c(CSc2nnc(C)s2)cc1=O 10254723 OYLLYAIEDHBFEA-UHFFFAOYSA-N 420.491 3.087 0 40 HGAB O=S(=O)(Nc1cccc(-c2nnnn2C2CC2)c1)c1cccc(Br)c1 10657319 BQWPBMFYMGBAQY-UHFFFAOYSA-N 420.292 3.238 0 40 HGAB CC(=O)N[C@@H](CC(=O)N1CCC[C@@H](c2nn(C)c3ncccc23)C1)c1ccc(F)cc1 12219462 AHLPLRHIJSESJZ-XLIONFOSSA-N 423.492 3.081 0 40 HGAB Cc1cc(C(F)(F)F)n2nc([C@@H]3CCCN(C(=O)Cn4nc(C)cc4C)C3)cc2n1 12257675 GGLWZNMOWBMWTI-OAHLLOKOSA-N 420.439 3.276 0 40 HGAB COc1ccc(OC)c(NC(=O)CCCn2nc(-c3ccc(F)cc3)ccc2=O)c1 12440931 IBKBXJJDWOUVTQ-UHFFFAOYSA-N 411.433 3.486 0 40 HGAB O=C(CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)NCCC(c1ccccc1)c1ccccc1 12529125 LKFSCDRJXKBJKB-VXKWHMMOSA-N 402.494 3.276 0 40 HGAB O=C(c1ccc(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1)N1CCN(c2ccccc2)CC1 12556186 DANKINSQQMKQRS-FGZHOGPDSA-N 417.509 3.329 0 40 HGAB O=C(CCN1C(=O)[C@H]2CCCC[C@H]2C1=O)Nc1cc2c(cc1Cl)OCCCO2 12784667 IQTQIZHYDQAISE-BETUJISGSA-N 406.866 3.005 0 40 HGAB CCS(=O)(=O)Nc1cccc(C(=O)Nc2nc3cc(OC)c(OC)cc3s2)c1 12787483 IXBMFGAUFOEBDD-UHFFFAOYSA-N 421.500 3.327 0 40 HGAB C[C@@]1(c2ccc3c(c2)OCCCO3)NC(=O)N(C[C@@H](O)c2ccc(Cl)cc2)C1=O 12817670 GULFYGKSRHBHRX-IERDGZPVSA-N 416.861 3.002 0 40 HGAB O=C(NCc1ccccc1CN1CCOCC1)c1ccc(OC[C@@H]2CCCO2)cc1 12908810 FRJMTKZEHRONOM-QHCPKHFHSA-N 410.514 3.007 0 40 HGAB C[C@H]1CN(C(=O)c2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2)C[C@H](C)O1 12926056 WWMQZRMZCAGNJP-KBPBESRZSA-N 408.907 3.390 0 40 HGAB Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)NCc3nnc4n3CCCCC4)c12 13011371 XPLVXYAASXYHQE-UHFFFAOYSA-N 415.501 3.192 0 40 HGAB CCCCn1cc[n+](-c2nc3ccccc3nc2NS(=O)(=O)c2cccs2)c1 13142706 NKXVEDIBUIXLKO-UHFFFAOYSA-N 414.536 3.370 0 40 HGAB CC[C@H](C)c1ccc(S(=O)(=O)N2CCN(C(=O)c3cccnc3S)CC2)cc1 14045650 LZXWNSYFSZHFRZ-HNNXBMFYSA-N 419.572 3.031 0 40 HGAB CC(=O)N[C@@H](C)c1ccc(-c2csc(NC(=O)Cn3nnc4ccccc43)n2)cc1 14347014 ZLGSSMOSOMSBJL-ZDUSSCGKSA-N 420.498 3.391 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2sc(C)c(C)c2C(=O)OC)cc1 14652140 FBLZLMKOUYHBKZ-UHFFFAOYSA-N 424.544 3.434 0 40 HGAB Cc1ccccc1OCC(=O)NC(=S)Nc1ccc(Br)cc1C(=O)O 16363008 URLBRYPQENTFSQ-UHFFFAOYSA-N 423.288 3.348 0 40 HGAB Cc1ccsc1CN1CCC(O)(Cn2cnc3sc(C)c(C)c3c2=O)CC1 19238612 SUHQJHGBBWZXFB-UHFFFAOYSA-N 403.573 3.472 0 40 HGAB O=C(CC12C[C@@H]3C[C@H](C1)CC(n1cncn1)(C3)C2)N1CCC(Oc2cccnc2)CC1 19339800 KQJXAQBMNRPSHC-LHHMWQFHSA-N 421.545 3.429 0 40 HGAB C[C@H](OC(=O)C1CCN(C(=O)c2ccco2)CC1)C(=O)N1c2ccccc2C[C@@H]1C 19482869 BCPAVOYNLDUOAU-HOTGVXAUSA-N 410.470 3.041 0 40 HGAB CN1CCN(C(=O)[C@@H]2CCCO2)C[C@@H](Cc2ccccc2-c2cccc(F)c2)C1=O 19589581 OOOTXAJAUPRVEK-KNQAVFIVSA-N 410.489 3.131 0 40 HGAB CNC(=O)[C@@]1(Cc2cccc(-c3ccncc3)c2)CN(C(=O)C2CCCCC2)CCO1 19591798 TZIVMDIPLWJVSI-RUZDIDTESA-N 421.541 3.215 0 40 HGAB COc1ccc(S(N)(=O)=O)cc1C(=O)NCc1ccc(-c2ccc(Cl)cc2)o1 19604578 KEGWMHADAZPBFU-UHFFFAOYSA-N 420.874 3.186 0 40 HGAB COCCCN(Cc1ccccn1)C(=O)c1cccc([C@@H]2CCc3nnc(C)n3C2)c1 19698203 GTOQFJQHXMRDMV-OAQYLSRUSA-N 419.529 3.390 0 40 HGAB Cc1nc(-c2ccc(CNS(=O)(=O)c3ccc(Cl)cc3)cc2)ccc1C(N)=O 19700745 OIVPLWWDNHGTES-UHFFFAOYSA-N 415.902 3.288 0 40 HGAB Nc1nc(C2CCN(C(=O)c3cccnc3)CC2)ccc1C(=O)NCc1ccccc1 19766375 KBFZWSURWCSZGK-UHFFFAOYSA-N 415.497 3.009 0 40 HGAB Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)N[C@H]2CCCc3ccccc32)c(C)c1 20013146 ZEPADSCFYVXBTO-FQEVSTJZSA-N 400.544 3.426 0 40 HGAB CC(C)Oc1cccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3cccs3)C2)c1 20107984 AASIUEOEYOWSTP-KRWDZBQOSA-N 422.572 3.252 0 40 HGAB CN(Cc1ccc(/C=C/C(=O)Nc2ccc(Br)cc2)o1)S(C)(=O)=O 20449908 BUISWHNAJRKSHG-MDZDMXLPSA-N 413.293 3.085 0 40 HGAB COC(=O)c1ccccc1NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccccc1OC 20761389 HUKAVMIPFSXWCN-HXUWFJFHSA-N 406.442 3.385 0 40 HGAB biogenic CCc1ccccc1NC(=O)CN1CCCN(Cc2ccc(Cl)cc2)S1(=O)=O 21531420 DCSCKYWWFRVTCF-UHFFFAOYSA-N 421.950 3.294 0 40 HGAB COc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2C(=O)NC2CCCCCCC2)c1 22230272 FPDUYNQWYZIVIS-LJQANCHMSA-N 408.564 3.386 0 40 HGAB COc1ccc([C@H]2CCCN2C(=O)CCNS(=O)(=O)c2cc(C)ccc2C)cc1 22285333 BAWSCRMGWNXQGL-HXUWFJFHSA-N 416.543 3.344 0 40 HGAB CCc1ccccc1N(CC(=O)N[C@@H]1CC(C)(C)Oc2ccccc21)S(C)(=O)=O 22329847 XXCZCDAJBMGQEU-GOSISDBHSA-N 416.543 3.434 0 40 HGAB CCN(CC(=O)N[C@H](C)c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)c(C)c1 22539283 WOQDHQWPZDDKBN-OAHLLOKOSA-N 408.495 3.031 0 40 HGAB Cc1cc2ncc(C(=O)N3CCN(Cc4ccc(C(F)(F)F)cc4)CC3)c(C)n2n1 22690597 RNDMUDPTKLMOLK-UHFFFAOYSA-N 417.435 3.323 0 40 HGAB O=C(Cn1nc(C2CC2)c2cnn(-c3ccc(F)cc3)c2c1=O)NC1CCCCC1 22768038 FFJXWDXIBWBXKZ-UHFFFAOYSA-N 409.465 3.048 0 40 HGAB CC(=O)Oc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)cc1 23117769 QMWOIXBDAIVHMH-OAHLLOKOSA-N 416.499 3.285 0 40 HGAB CCN1CCN(C(=O)[C@H](C)Sc2nnc(-c3ccc(N(CC)CC)cc3)o2)CC1 24721601 FXADLYPFYDZGLZ-INIZCTEOSA-N 417.579 3.228 0 40 HGAB O=C(NC[C@H]1COc2ccccc2O1)[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 24858916 ORSPWSVKNBGZBH-YEDARTHRSA-N 424.541 3.150 0 40 HGAB O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)s1)N[C@@H]1CCOc2ccccc21 25177758 FTTFWRKSGKJVLW-QGZVFWFLSA-N 420.556 3.105 0 40 HGAB COc1ccc2cc(COC(=O)c3ccc4c(c3)C(=O)N(C)C4=O)c(Cl)nc2c1 25455277 UNQCMAVFDPTZIR-UHFFFAOYSA-N 410.813 3.480 0 40 HGAB COc1ccc(C)cc1[C@H](C)NC(=O)NC1CCN(CC(=O)Nc2ccccc2)CC1 26283403 PGIVGGPRGXAJND-SFHVURJKSA-N 424.545 3.467 0 40 HGAB Cc1ccc(N2C[C@@H](C(=O)O[C@H](C)c3nc4ccccc4c(=O)[nH]3)CC2=O)cc1F 26449563 WVSMJBLASFFQSB-KGLIPLIRSA-N 409.417 3.028 0 40 HGAB CN(C)S(=O)(=O)c1ccc(OCC(=O)Nc2cccc(Cl)c2)c(Cl)c1 28207922 VQKHYSYHHVEUIS-UHFFFAOYSA-N 403.287 3.261 0 40 HGAB CCOC(=O)C1=C(C)Nc2nc(=S)[nH]c(O)c2[C@@H]1c1ccc2c(c1)OCCO2 28466023 KNBADMRMYVLMEA-CQSZACIVSA-N 401.444 3.010 0 40 HGAB CCn1c2ccccc2c2ccc(NC(=O)[C@H](C)Sc3nc(N)nc(N)n3)cc21 28616939 KLIFVVZOPQQGDU-NSHDSACASA-N 407.503 3.283 0 40 HGAB CC(C)(C)c1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)Nc1ccc(F)c(F)c1)O2 30938464 UKZDZWWFFVKDGH-GOSISDBHSA-N 424.469 3.428 0 40 HGAB CC(=O)N[C@H](CC(=O)N1CCC(C(=O)c2ccc(O)cc2)CC1)c1ccc(C)cc1 32898967 ZQFJRONFCLHHRY-JOCHJYFZSA-N 408.498 3.389 0 40 HGAB O=C(CSc1ccccc1F)NCc1ccc(S(=O)(=O)N2CCCC2)cc1 32936614 UVJFWDXHLPGONE-UHFFFAOYSA-N 408.520 3.019 0 40 HGAB O=C(NCCOc1ccccc1)c1ccccc1C(=O)c1ccc2c(c1)OCCO2 32971676 CKFOGLVDPAJISL-UHFFFAOYSA-N 403.434 3.498 0 40 HGAB C[C@H]1C[C@H](C)CN(Cc2csc(NC(=O)CNC(=O)Cc3cccc(F)c3)n2)C1 40145276 HCUCCDYUPLVMJT-GJZGRUSLSA-N 418.538 3.058 0 40 HGAB Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)Nc1ccc(NS(C)(=O)=O)cc1 40145306 NDVYQRCLRVVYFA-UHFFFAOYSA-N 416.478 3.181 0 40 HGAB CCCCOC(=O)c1ccc(NC(=O)[C@]23CCC(=O)N2c2ccccc2C(O)=N3)cc1 40310139 YFXCJMMQMTYZFW-QHCPKHFHSA-N 421.453 3.424 0 40 HGAB biogenic CCN(CC)CCN(Cc1cccs1)S(=O)(=O)c1ccc(NC(C)=O)cc1 48332039 XVSUPBPZAKJNMG-UHFFFAOYSA-N 409.577 3.239 0 40 HGAB CC(C)S(=O)(=O)c1ccc(C(=O)NCCCN2CCc3ccccc3C2)cc1 49675540 TWKVOPMNBHTLNO-UHFFFAOYSA-N 400.544 3.047 0 40 HGAB C[C@@H](CNC(=O)Nc1ccc(NC(=O)[C@H](C)n2cncn2)cc1)N(C)c1ccccc1 58145865 VOIDCLADDZIOPK-IRXDYDNUSA-N 421.505 3.124 0 40 HGAB COc1ccccc1C1(CNC(=O)CS(=O)(=O)NC2CCC(C)CC2)CCCC1 60370513 NSCWHWQVRNTLPR-UHFFFAOYSA-N 422.591 3.121 0 40 HGAB COc1cccc(-n2ccn3c(SCC(=O)c4cc(C)ccc4C)nnc3c2=O)c1 64593631 TVWHQOSPZKWFRO-UHFFFAOYSA-N 420.494 3.481 0 40 HGAB CCOc1ccc(NC(=O)c2cnc(N3CCN(c4ccccc4)CC3)nc2N)cc1 65154835 LRQZRNQMDQJFPW-UHFFFAOYSA-N 418.501 3.036 0 40 HGAB C[C@H](Oc1ccc(C(=O)NCc2cccnc2-n2cncn2)cn1)c1ccccc1 65552789 LKSNGWHTMZVNLY-INIZCTEOSA-N 400.442 3.127 0 40 HGAB COc1ccc2[nH]cc(CCNC(=O)Cc3nn(C(C)C)c(=O)c4ccccc34)c2c1 79189123 CJIKSXCQHYHOKF-UHFFFAOYSA-N 418.497 3.369 0 40 HGAB biogenic CCn1cnnc1C1CCN(CC(=O)Nc2ccc(Br)cc2C)CC1 89310070 QTOKVWAJNXVWEV-UHFFFAOYSA-N 406.328 3.187 0 40 HGAB Cn1cc([C@H]2CC(=O)Oc3cc(O)c4c(=O)c(-c5ccc(O)cc5)coc4c32)cn1 96114284 HMDYRLOEIXYLKP-CQSZACIVSA-N 404.378 3.046 0 40 HGAB biogenic CC1(C)[C@@H]2CC[C@]1(C)C(=O)N(CCCCN1C(=O)[C@@H]3CC[C@](C)(C1=O)C3(C)C)C2=O 100916961 FTDYMXHCUFFFRQ-XKFBCCIWSA-N 416.562 3.389 0 40 HGAB C[C@@H]1CN(c2ccc(S(N)(=O)=O)cc2C(F)(F)F)C[C@@H](c2ccccc2)O1 108077364 VQHKVZHXSXFGNA-PXAZEXFGSA-N 400.422 3.319 0 40 HGAB COc1ccc(Cl)cc1N([C@H](C)C(=O)NCc1ccc(C)cc1)S(C)(=O)=O 113940912 QUKJQLDPZIFOOP-CQSZACIVSA-N 410.923 3.128 0 40 HGAB C[C@@](O)(CNS(=O)(=O)c1ccccc1Br)c1cc2ccccc2o1 217999070 MLAUTPMTLXDUEP-QGZVFWFLSA-N 410.289 3.381 0 40 HGAB Cc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H]2CC(C)(C)Oc3ccccc32)cc1 219011938 KMHZAVUUXGWGKH-SFHVURJKSA-N 402.516 3.034 0 40 HGAB CCOC(=O)c1cccc(NC(=O)[C@H](CC)N(c2ccc(C)cc2)S(C)(=O)=O)c1 219099259 UMYQRGGAWQXOQO-IBGZPJMESA-N 418.515 3.355 0 40 HGAB CC[C@@H](NC(=O)c1ccc(N2CCCC2=O)cc1)c1ccc(S(C)(=O)=O)cc1 219205761 ZSWAYBMBGLNVIJ-LJQANCHMSA-N 400.500 3.098 0 40 HGAB CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N[C@@H](C)c1ccc(F)cc1 222737450 SRNQUWBQWLIJET-IFXJQAMLSA-N 408.495 3.256 0 40 HGAB C[C@@H](NC(=O)CN(c1ccc(F)cc1F)S(C)(=O)=O)c1ccc2c(c1)CCCC2 222984211 BTGBKAVHJNOMMT-CQSZACIVSA-N 422.497 3.487 0 40 HGAB COc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCC(C)CC3)cc2)cc1OC 223989705 CHLSZMQHKVNVFL-UHFFFAOYSA-N 418.515 3.377 0 40 HGAB Cc1cc(C)cc(OCCNC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2C)c1 224079103 MRMBETPJMLXSQM-UHFFFAOYSA-N 416.543 3.205 0 40 HGAB C[C@H](Oc1cccc2c1CCCC2)C(=O)NCc1ccccc1CN1CCOCC1 224959939 QCLSZCZMOWPCNQ-IBGZPJMESA-N 408.542 3.481 0 40 HGAB CNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN1C(=O)c2cccc3cccc1c23 225427187 JBPAETACJCKAED-HNNXBMFYSA-N 419.456 3.102 0 40 HGAB Cn1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1CCC(=O)Nc1ccccc1 225532437 YRLAOJWACBZBGW-RTWAWAEBSA-N 405.527 3.421 0 40 HGAB CCn1c(=O)sc2cc(S(=O)(=O)Nc3ccc(N4CCCC4=O)cc3)ccc21 225694036 FEDIRXNEIKORPA-UHFFFAOYSA-N 417.512 3.011 0 40 HGAB COc1ccc(NC(=O)C(C)(C)NS(=O)(=O)Cc2ccccc2F)cc1Cl 225922824 LZRLXCNNAWQKFD-UHFFFAOYSA-N 414.886 3.324 0 40 HGAB Cc1cc(C)n(C[C@H](C)C(=O)N[C@H]2C[C@]3(CCC(=O)N(C)CC3)Oc3ccccc32)n1 248128627 MNXHWOZKCJPKTQ-GSMBIVSISA-N 424.545 3.157 0 40 HGAB Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCCC[C@H]4C)nc(O)c32)cc1C 253562071 CUSWWPCOKVHGEX-ZBFHGGJFSA-N 409.490 3.242 0 40 HGAB CNC(=O)[C@]1(c2ccccn2)CCCN(Cc2ccccc2OCc2ccccn2)C1 257306413 SUEUSIVAUHZOJG-RUZDIDTESA-N 416.525 3.335 0 40 HGAB CN1Cc2nnc(-c3cccs3)n2C2(CCN(C(=O)c3ccccc3F)CC2)C1 306131987 KVAGUJULONRHOS-UHFFFAOYSA-N 411.506 3.223 0 40 HGAB O=C(C1CCOCC1)N1Cc2ccccc2[C@@H](c2nccn2Cc2cccnc2)C1 306142300 WVQIYSBPJCFTIC-QFIPXVFZSA-N 402.498 3.227 0 40 HGAB COC(=O)CSc1nc2ccc(NC(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C(=O)O)cc2s1 408750404 MKAACFCCUYTYSK-VCXDHIOWSA-N 418.496 3.023 0 40 HGAB Cc1ccc(NC(=O)COC(=O)c2ccc(/C=C3\SC(=O)N(C)C3=O)cc2)cc1 409363550 WNDICUVAYAIHSF-BOPFTXTBSA-N 410.451 3.457 0 40 HGAB C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)CC(=O)N[C@@H](c1cccs1)C(C)(C)C 531902089 REPQMUFQNYYUQA-LIRRHRJNSA-N 423.604 3.292 0 40 HGAB O=C(c1cc(-c2ccc3c(c2)OCO3)[nH]n1)N1CC[C@H](Oc2ccncc2Cl)C1 575611488 YWEKKFRYCYVMGW-ZDUSSCGKSA-N 412.833 3.147 0 40 HGAB C[C@@H](C(=O)NCc1csc(-c2ccccc2)n1)n1nc(-c2ccncc2)ccc1=O 585220735 YODKNLNIDJFYLU-HNNXBMFYSA-N 417.494 3.306 0 40 HGAB Cc1ccc(Cl)c(OCC2(O)CCN(CC(=O)NCCc3ccccc3)CC2)c1 585274765 ZJARMYILZCVHHV-UHFFFAOYSA-N 416.949 3.213 0 40 HGAB O=C1NCCN(C(=O)c2cc3ccsc3[nH]2)[C@@H]1c1ccc(Br)cc1 684531246 XXFFAPLZHMWPFP-CQSZACIVSA-N 404.289 3.305 0 40 HGAB FC(F)(F)c1nnc(CN2CCN(c3cc(C4CCC4)nc(C4CC4)n3)CC2)o1 1888880021 KLRGKNNFVSUDGP-UHFFFAOYSA-N 408.428 3.346 0 40 HGAB O=C(CSc1nnc(CNc2ccc(F)cc2)n1Cc1ccco1)NC1CC1 1356086 CAXSLJHONJGIAC-UHFFFAOYSA-N 401.467 3.041 0 40 HGAB CCOc1cccc(-c2nnc(SCC(=O)Nc3ccccc3OCC)n2N)c1 2386771 JTEUEEWRXPONST-UHFFFAOYSA-N 413.503 3.187 0 40 HGAB COc1cc2c(cc1OC)CN(Cc1nc3sc4c(c3c(=O)[nH]1)CCCC4)CC2 2431007 XZBKDWLUWRGDLB-UHFFFAOYSA-N 411.527 3.439 0 40 HGAB Cc1cc(Cl)cc(C)c1OCC(=O)OCC(=O)Nc1ccc2c(c1)OCCO2 2634770 ZPTMULVHDIRGEA-UHFFFAOYSA-N 405.834 3.289 0 40 HGAB Cc1nc(S[C@@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)nc(C)c1C 3340211 UURJPOYITKAAPE-INIZCTEOSA-N 411.531 3.319 0 40 HGAB O=C(Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(C(=O)NC2CCCCC2)C1)c1ccco1 4236200 KPOJKAWFZXWIIW-JKSUJKDBSA-N 424.501 3.155 0 40 HGAB biogenic,in-vitro COc1ccccc1NC(=O)CSc1nnc(NC(=O)Cc2ccccc2)s1 4328493 ULEPRPFKFQISBH-UHFFFAOYSA-N 414.512 3.459 0 40 HGAB Cc1cc(-c2nn3c(C)nnc3s2)ccc1NC(=O)c1ccc2c(c1)OCCO2 5016008 DTCHYYVOFVXOHD-UHFFFAOYSA-N 407.455 3.493 0 40 HGAB COc1ccc(C(=O)N/C(=C\c2ccc(Cl)cc2)C(=O)NCCCN(C)C)cc1 5032059 PRABQPXMQNMVAT-HKWRFOASSA-N 415.921 3.187 0 40 HGAB Cc1cccc(-c2nc3c(c(SCC(=O)N4CCOCC4)n2)COC(C)(C)C3)c1 5266687 CAWVXHFSEGEMKI-UHFFFAOYSA-N 413.543 3.254 0 40 HGAB Cn1nnnc1SCCNCc1cc(Cl)ccc1OCc1ccc(F)cc1 5325116 BWCHNKQUQJKCPT-UHFFFAOYSA-N 407.902 3.464 0 40 HGAB CN(C)S(=O)(=O)c1cccc(NC(=O)CSc2cccc3cccnc23)c1 5781998 QUXRGLZOALROBT-UHFFFAOYSA-N 401.513 3.216 0 40 HGAB CC(=O)Nc1ccc(S[C@@H](C)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)cc1 7028235 XRIACBWSYLWCOD-ZDUSSCGKSA-N 421.544 3.015 0 40 HGAB COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NC(C)(C)C)c(C)c2)cc1 7361880 YYDVXYMRNBZKQY-UHFFFAOYSA-N 406.504 3.098 0 40 HGAB CCC(=O)c1cc(Cl)ccc1OCC(=O)N1CCN(C(=O)c2cccs2)CC1 7737355 CSRRFWAYRCZTAZ-UHFFFAOYSA-N 420.918 3.358 0 40 HGAB Cc1ccc(C(=O)NCC(=O)N(C)Cc2c(C)nn(-c3ccccc3)c2C)cc1C 8009625 LEWJPLGSOQBJRQ-UHFFFAOYSA-N 404.514 3.494 0 40 HGAB CCc1cccc(CC)c1N1C[C@@H](C(=O)OCC(=O)Nc2ccc(F)cc2)CC1=O 8039693 XUFWVLSJYINQFF-KRWDZBQOSA-N 412.461 3.485 0 40 HGAB COc1ccc(NC(C)=O)cc1NC(=O)C1CCN(C(=O)c2ccccc2C)CC1 8325136 BCBNZOPBHXKRIV-UHFFFAOYSA-N 409.486 3.453 0 40 HGAB O=c1[nH]c(CN2CCN(c3ccnc4cc(Cl)ccc34)CC2)nc2ccccc12 8754118 USJDWGAWESCKID-UHFFFAOYSA-N 405.889 3.447 0 40 HGAB O=C(COc1cccc2ccc(N3CCOCC3)nc12)NCc1ccccc1Cl 8769696 PVEQZMDAQJCEGM-UHFFFAOYSA-N 411.889 3.420 0 40 HGAB Cc1c(NS(=O)(=O)c2ccccc2)cccc1C(=O)Nc1ccc(C(N)=O)cc1 10314896 QKXLJFREHJYJBG-UHFFFAOYSA-N 409.467 3.147 0 40 HGAB COc1ccc(N([C@@H](C)C(=O)NCCSC(C)(C)C)S(C)(=O)=O)cc1Cl 10371641 XGZOTCADJXDTJM-LBPRGKRZSA-N 423.000 3.151 0 40 HGAB CC(C)c1ccccc1NC(=O)CN(C)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C 11068499 GIDZQKFZYHIWNK-KRWDZBQOSA-N 422.529 3.444 0 40 HGAB O=C(CSc1ccc(NC(=O)c2cccs2)nn1)Nc1ccc2c(c1)OCO2 11739399 NDSUNIFZZCGENB-UHFFFAOYSA-N 414.468 3.250 0 40 HGAB Cc1ccccc1Cn1cnc2c(cnn2CCNC(=O)c2ccccc2Cl)c1=O 12072111 BOPJTRNZNIMANK-UHFFFAOYSA-N 421.888 3.033 0 40 HGAB Cc1cccc(NC(=O)CN2CCN(C(=O)NCc3ccccc3Cl)CC2)c1C 12768221 CWJSPUYFGFBJIB-UHFFFAOYSA-N 414.937 3.423 0 40 HGAB COc1ccc(OC)c([C@@H]2CCCN2[C@@H](C(=O)N2CCOCC2)c2ccccc2)c1 14066622 AMTVJXRHFUKFRC-JTHBVZDNSA-N 410.514 3.441 0 40 HGAB O=S(=O)(Nc1cccc(-c2nnnn2C2CC2)c1)c1ccc(Br)cc1 14205267 YKCQXIHECAAYIW-UHFFFAOYSA-N 420.292 3.238 0 40 HGAB Cc1ccc(NC(=O)C(=O)NCCCCN2CCO[C@H](c3ccccc3)C2)cc1F 17120976 DQACSSAWCJIFCV-NRFANRHFSA-N 413.493 3.043 0 40 HGAB COc1cc(C(C)=O)ccc1OC[C@H](O)CN1CCN(c2cccc(C)c2C)CC1 19235636 MFPRNNYSQKRCGJ-OAQYLSRUSA-N 412.530 3.077 0 40 HGAB CC(=O)N1CCc2cc(S(=O)(=O)N[C@H](C)Cc3c[nH]c4c(C)cccc34)ccc21 19236648 KZZXVBOCSZNDRN-OAHLLOKOSA-N 411.527 3.295 0 40 HGAB O=C([C@@H]1CCCCO1)N1CCC[C@@H](c2cc3nc(C(F)(F)F)ccc3c(=O)[nH]2)C1 19341763 NYIIZPIKUAUKLT-WBMJQRKESA-N 409.408 3.217 0 40 HGAB NC(=O)[C@]1(Cc2ccccc2-c2cncnc2)CCCN(C(=O)c2cccc(F)c2)C1 19348320 MJELLKVMQGABFN-DEOSSOPVSA-N 418.472 3.233 0 40 HGAB COc1ccccc1CN1CCC(c2n[nH]cc2C(=O)N2C[C@H](C)O[C@H](C)C2)CC1 19497346 DBYOCWTVEMLRTR-CALCHBBNSA-N 412.534 3.047 0 40 HGAB CC(=O)NCC(=O)N1CCC[C@H]1c1ccc(Cc2cccc(C(F)(F)F)c2)cn1 19688443 FUAKGPZWZULXEF-IBGZPJMESA-N 405.420 3.491 0 40 HGAB CN(CC(=O)Nc1cccc(-c2nc3ccccc3s2)c1)[C@H]1CCS(=O)(=O)C1 19716101 VTVOWWYLFNXOBB-INIZCTEOSA-N 415.540 3.021 0 40 HGAB COc1ccc(CC(=O)N2CCC[C@@H]2c2c(CN(C)C)cnc3cc(C)nn23)cc1 19743536 GSONCIAWGCBJRV-HXUWFJFHSA-N 407.518 3.014 0 40 HGAB Cc1ccccc1OCCCC(=O)N1CCC(c2ncc(C(=O)N(C)C)c(C)n2)CC1 19766467 IEBQCQZWEGXPMO-UHFFFAOYSA-N 424.545 3.360 0 40 HGAB Cc1c(CC(=O)N2CCN(C)CC2)c(=O)oc2c(C)c3oc4c(c3cc12)CCCC4 20650972 FWKHVTLPFHQOCW-UHFFFAOYSA-N 408.498 3.351 0 40 HGAB CCOc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccc(CC)cc4)ncn3n2)cc1 21027578 FVEIUUWJJDYEQY-UHFFFAOYSA-N 417.469 3.158 0 40 HGAB CC[C@@H](NC(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O)c1ccc(C)c(C)c1 22332768 HAHVXTSUDBLPLT-HXUWFJFHSA-N 404.532 3.346 0 40 HGAB C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)NCCSCc1ccc(Cl)cc1)C2=O 22983647 NFCBSBRTALTJKA-JLTOFOAXSA-N 423.966 3.190 0 40 HGAB COc1cc(/C=C/C(=O)NCC(C)(C)N2C[C@H](C)O[C@@H](C)C2)ccc1OC(C)C 23181395 FTURNMGDEIBBGQ-HNDWKTGHSA-N 404.551 3.500 0 40 HGAB O=C1NC2(CCCCCC2)C(=O)N1CN1CCN(c2cccc(C(F)(F)F)c2)CC1 23382381 BOXZDQJUWODLTK-UHFFFAOYSA-N 424.467 3.430 0 40 HGAB CCC(CC)NC(=O)COC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 23408840 VESBNUSWOBPYEJ-UHFFFAOYSA-N 401.429 3.165 0 40 HGAB CN(CC1CCCCC1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 24769990 BJTSGXPQWTXERH-UHFFFAOYSA-N 414.593 3.062 0 40 HGAB CN(C(=O)c1ccccc1C(=O)OCc1nnnn1-c1ccccc1)c1ccccc1 26498481 JXYGTBYHAHWFBN-UHFFFAOYSA-N 413.437 3.296 0 40 HGAB C[C@@]12CCC(=O)N1c1ccccc1C(=O)N2CCC(=O)Nc1ccc(F)c(F)c1F 29753680 UNTJMRDIESEFNK-NRFANRHFSA-N 417.387 3.432 0 40 HGAB CCN(CC)[C@H](CNC(=O)c1cc(NC(C)=O)cc(NC(C)=O)c1)Cc1ccccc1 31657836 FIHJTGBXEGDSIN-QHCPKHFHSA-N 424.545 3.286 0 40 HGAB Cc1cc(S(=O)(=O)N2C[C@H](C(=O)N3CCCCC3)Oc3ccccc32)c(C)s1 31720556 CMHCXCWYYVXRNQ-GOSISDBHSA-N 420.556 3.334 0 40 HGAB C[C@@H](NC(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccccc1 32862936 MWPOFAWTWBSWNK-QGZVFWFLSA-N 401.532 3.422 0 40 HGAB CS(=O)(=O)N1CCCC[C@@H]1C(=O)Oc1ccc2cc(Br)ccc2c1 32908821 VUSLZNWHGZQOGB-MRXNPFEDSA-N 412.305 3.322 0 40 HGAB Cc1nnnn1-c1cccc(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1 32915900 ZJUHNMKUUMFQJL-UHFFFAOYSA-N 417.800 3.444 0 40 HGAB C[C@@H]1CCCN(Cc2ccc(CNC(=O)CCNC(=O)Cc3ccccc3)cc2)C1 32930080 WNMMZDNOMBXDHQ-HXUWFJFHSA-N 407.558 3.284 0 40 HGAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 33771121 REWIFXSSLQPMSG-NSHDSACASA-N 402.394 3.020 0 40 HGAB O=C(CN1CCN(C(=O)CCc2ccccc2F)CC1)Nc1ccccc1Cl 36448947 QRTQTMVLTQYLDO-UHFFFAOYSA-N 403.885 3.195 0 40 HGAB O=C(CC[C@H]1N=C(O)N(CCc2c[nH]c3ccc(F)cc23)C1=O)Nc1ccccc1 36593367 NAFUVTNZVQLBES-LJQANCHMSA-N 408.433 3.393 0 40 HGAB Cc1oc(C(=O)NCC2(c3ccccc3)CCC2)cc1S(=O)(=O)N1CCCC1 40145155 BHJRIFXLFBSICP-UHFFFAOYSA-N 402.516 3.224 0 40 HGAB CC(C)c1nnc(NC(=O)CCCC(=O)N2CCN(c3ccc(F)cc3)CC2)s1 40287224 LEMZMTDLQYZSPT-UHFFFAOYSA-N 419.526 3.258 0 40 HGAB COC(=O)Cc1c(C(=O)OC)nnc2c(-c3cccc(Cl)c3)c(C(C)C)nn12 40385131 MUVQHOQBAFXDNE-UHFFFAOYSA-N 402.838 3.070 0 40 HGAB NC(=O)N[C@H](CC(=O)N1CCC[C@H]1c1ccncc1)c1cccc(Br)c1 42794648 DCNIEXGQNDWFOT-SJORKVTESA-N 417.307 3.307 0 40 HGAB O=C(Cn1cnc(-c2cccs2)cc1=O)NCc1ccccc1OC(F)(F)F 49028361 JFTLTJUOTYBIBZ-UHFFFAOYSA-N 409.389 3.187 0 40 HGAB COC(=O)C1=C(CN2CCC(Cc3ccccc3)CC2)NC(=O)N[C@@H]1c1ccccc1 57414189 USYQTEPNQGYTFN-HSZRJFAPSA-N 419.525 3.422 0 40 HGAB Cc1cc(C)cc(-n2c(=O)c3sccc3n(CC(=O)NC3CCCCC3)c2=O)c1 57492049 ZLPITALDMIXAEB-UHFFFAOYSA-N 411.527 3.280 0 40 HGAB CN(CCCC(=O)Nc1cnn(-c2ccccc2)c1)S(=O)(=O)c1ccc(F)cc1 58004063 OBEPKJIRSNURJH-UHFFFAOYSA-N 416.478 3.051 0 40 HGAB C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)N1CCN(c2ccccc2Cl)CC1 58160828 FSKZTJZEPPSFNK-HNNXBMFYSA-N 401.894 3.260 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2cnc(N3CCOCC3)c(C)c2)cc1 72219379 CKHBKFOGTJXAPT-NRFANRHFSA-N 415.559 3.451 0 40 HGAB O=C(C[C@@H](CN1CCN(c2ccccc2)CC1)C(=O)O)Nc1cccc2ncccc12 72405406 WDSQAEKDFOMGIO-SFHVURJKSA-N 418.497 3.086 0 40 HGAB CC(C)n1nc(CC(=O)NCCCc2nc3ccccc3[nH]2)c2ccccc2c1=O 79476991 CRAGIYJNCAHJAR-UHFFFAOYSA-N 403.486 3.145 0 40 HGAB COc1ccc2c(ccn2CCNC(=O)[C@@H]2CCCN(c3nc(C)cc(C)n3)C2)c1 79495751 RZHRMOALHKHXLH-LJQANCHMSA-N 407.518 3.090 0 40 HGAB CCOC(=O)[C@@H](c1cc(Cl)cc(Cl)c1)N(CC)C(=O)CCOCCOC 89960800 WEYXLDBLVDVQGO-QGZVFWFLSA-N 406.306 3.499 0 40 HGAB Cc1nc2n(c1CN1CCN(C(=O)CCc3c(F)cccc3F)CC1)CCCC2 95456601 ORKBAGXSSBWXDO-UHFFFAOYSA-N 402.489 3.083 0 40 HGAB COc1cn(CC(=O)NCCC2=CCCCC2)c(CN2CCCCCC2)cc1=O 95477668 GZZBPCOIDJXKQX-UHFFFAOYSA-N 401.551 3.240 0 40 HGAB CC(C)c1cc(C(=O)N2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)cc(=O)[nH]1 95985706 XQELEKWVVPGHBW-UHFFFAOYSA-N 402.882 3.038 0 40 HGAB CC(C)CNC(=O)C[C@H]1CC2(CCN(C(=O)c3cnccn3)CC2)Oc2ccccc21 96053535 SVPNTKOCOLOXGE-SFHVURJKSA-N 422.529 3.180 0 40 HGAB CC(C)CS(=O)(=O)N1CCC2(CC1)C[C@@H](CC(=O)NCC1CC1)c1ccccc12 96242010 DPFPLUSJLYUHAU-LJQANCHMSA-N 418.603 3.410 0 40 HGAB CCOC(=O)c1nnsc1NC(=O)Nc1c(F)cc(Br)cc1F 96319554 CHEVQTGSBPZYDM-UHFFFAOYSA-N 407.196 3.400 0 40 HGAB C[C@@]12NC(=S)N[C@H](c3cc(Br)ccc3O1)[C@H]2C(=O)Nc1ccccc1 100574699 TWSWFATZOVQBPS-HDMKZQKVSA-N 418.316 3.331 0 40 HGAB C[C@H](C(=O)NCc1ccccc1Cl)N(c1ccc(F)c(F)c1)S(C)(=O)=O 113957457 GWPBFYJBSSSJOT-LLVKDONJSA-N 402.850 3.089 0 40 HGAB Cc1ccccc1OC[C@H](C)NS(=O)(=O)c1ccc(N2CCCC2=O)c(C)c1 219224224 QBMAXEWOHBSEBM-KRWDZBQOSA-N 402.516 3.176 0 40 HGAB COc1cccc(N([C@@H](C)C(=O)Nc2cc(Cl)ccc2OC)S(C)(=O)=O)c1 220163403 RNEJBUGJZLNPMA-LBPRGKRZSA-N 412.895 3.150 0 40 HGAB CC(=O)c1cccc(NC(=O)CCCCCN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@@H]45)[C@H]3C2=O)c1 222453714 AQIZKCBRIYLJCU-NGJIECEZSA-N 420.509 3.441 0 40 HGAB S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2-c2ccccn2)N1C[C@@H]1CCCO1 223295540 NGKHULDQHTYIKC-ORYQWCPZSA-N 405.527 3.419 0 40 HGAB CC[C@@H](C(=O)NCCSC1CCCC1)N(c1ccccc1F)S(C)(=O)=O 223970527 NSSJXFSNTLPFRJ-INIZCTEOSA-N 402.557 3.162 0 40 HGAB Cc1cc(C)cc(OCCNC(=O)CN(c2c(C)cc(C)cc2C)S(C)(=O)=O)c1 224088179 SEOMDMXZQZNYIF-UHFFFAOYSA-N 418.559 3.190 0 40 HGAB CN(c1ccc(Cl)c(C(=O)NCc2cccnc2)c1)S(=O)(=O)c1ccccc1 224332732 HGDDMLFNXGNWET-UHFFFAOYSA-N 415.902 3.490 0 40 HGAB CCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1ccc2c(c1)OCO2 224877090 AXIOFUDWTWYOIO-MRXNPFEDSA-N 414.477 3.431 0 40 HGAB Cc1ccc(C2(C(=O)Nc3ccc(OCCN4CCOCC4)cc3)CCOCC2)cc1 225568951 HGZVUPRMJDAHBF-UHFFFAOYSA-N 424.541 3.393 0 40 HGAB CCN(c1ccc(C(=O)Nc2nnc(-c3ccccc3)s2)cc1)S(C)(=O)=O 225590078 FAHUGBZLQAFELP-UHFFFAOYSA-N 402.501 3.243 0 40 HGAB COc1cc([C@H]2OCC[C@@]34C[C@@H](C[C@H]23)C(C)(C)[C@@H]4NC(C)=O)cc2c1OCCO2 257247466 IZCZFBTUEUMOOE-DXANDOGBSA-N 401.503 3.485 0 40 HGAB CO[C@H]1CN(CC(=O)Nc2nc(-c3ccc(F)cc3)cs2)CC[C@@]12CCCO2 257286301 PLBUIMHNPQUYSB-PXNSSMCTSA-N 405.495 3.158 0 40 HGAB CC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3N(C(=O)c1ncccc1O)[C@H]2Cc1ccccc1 257340253 ZFFCXFRLYWQXEC-ATMZJQGESA-N 419.525 3.403 0 40 HGAB CN(C)c1cccc(C(=O)N2CCO[C@]3(CCCC[C@@H]3NCc3cccnc3)C2)c1 306128748 HJMUWFBUXRTCGW-LADGPHEKSA-N 408.546 3.091 0 40 HGAB O=C(Nc1ccccc1)c1nnc2n1C[C@H]1CN(Cc3cccc(Cl)c3)C[C@@H]1C2 306143048 XRTUHKRTKKHDMO-DLBZAZTESA-N 407.905 3.488 0 40 HGAB CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccccc3)C2)cc1C 408558610 SDWUESSIDZCMOI-IBGZPJMESA-N 416.543 3.111 0 40 HGAB O=C(O)CN1C(=O)N/C(=C/c2cn(Cc3ccccc3Cl)c3ccccc23)C1=O 408593350 PISRAHVQFFRDEB-RQZCQDPDSA-N 409.829 3.320 0 40 HGAB CN(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)N2CCCCCC2)cc1 408604161 LEQNTMATZSSSHF-UHFFFAOYSA-N 416.543 3.289 0 40 HGAB CCN1C(=O)N/C(=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)c(Cl)c2)C1=O 409166478 GGBIDQOJXDTSDU-MHWRWJLKSA-N 417.824 3.409 0 40 HGAB COc1cccc(C2=NN(C(=O)COc3ccc(F)cc3)[C@@](O)(C(F)(F)F)C2)c1 409351853 BENVNWDFSXEMHS-SFHVURJKSA-N 412.339 3.101 0 40 HGAB C[C@@H]1CCCN(C(=O)CCC(=O)N2CCN(c3ccccn3)CC2)c2ccccc21 541739700 BTEQDZSMBFBXCF-LJQANCHMSA-N 406.530 3.441 0 40 HGAB O=CN(CCc1c[nH]c2ccccc12)C1(C(=O)NCc2cccnc2)CCSCC1 575443734 LOECFDPKKBOSSU-UHFFFAOYSA-N 422.554 3.146 0 40 HGAB Cc1cncnc1N1CCC2(CC[C@H](CNC(=O)Cc3ccc(F)cc3)OC2)CC1 585101235 PNAAITRMYNBTCU-HXUWFJFHSA-N 412.509 3.049 0 40 HGAB COc1ncc(CN2C[C@H](C(=O)NCCC(C)(C)C)C3(CCOCC3)C2)cc1C 585102029 ZJHQRRMWNKYANA-LJQANCHMSA-N 403.567 3.180 0 40 HGAB Cc1ccccc1S(=O)(=O)N1CCC2(CC1)CO[C@@H](CN1CCC[C@@H](C)C1)C2 585103137 DNEQXRQMXJZJHX-UYAOXDASSA-N 406.592 3.287 0 40 HGAB CCN1OC2(CCN(C(=O)c3c(-c4ccccc4Cl)noc3C)CC2)CC1=O 1549166442 DHDSVXPZJPSWOS-UHFFFAOYSA-N 403.866 3.462 0 40 HGAB CCCCc1cc(=O)oc2c(C)c(OCC(=O)N[C@@H](CC(C)C)C(=O)O)ccc12 2098499 JYOHAGCELNGXAC-KRWDZBQOSA-N 403.475 3.438 0 40 HGAB biogenic COc1ccccc1NC(=O)CSc1nnc(-c2cccc(OC(C)C)c2)n1N 2395549 JESZYHXMFVXHGA-UHFFFAOYSA-N 413.503 3.186 0 40 HGAB CCOc1cc(N2CCOCC2)c(OCC)cc1NS(=O)(=O)c1cccc(C)c1 2635980 RMAHXGSUGKPYII-UHFFFAOYSA-N 420.531 3.430 0 40 HGAB COc1ccc(OC)c(NC(=O)CSc2nc3c([nH]c4ccccc43)c(=O)n2C)c1 2720587 CJQFSQWTWWYDHX-UHFFFAOYSA-N 424.482 3.163 0 40 HGAB O=C(CSc1nnnn1-c1ccccc1)Nc1ncc(C(F)(F)F)cc1Cl 3220232 AAOGLKWKSFKFNB-UHFFFAOYSA-N 414.800 3.460 0 40 HGAB COCCCn1c(N)c(S(=O)(=O)c2ccc(F)cc2)c2nc3ccccc3nc21 3290087 YVQSTYVRLZBPAB-UHFFFAOYSA-N 414.462 3.175 0 40 HGAB CSCC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N[C@H](C)c1ccccc1 3334071 KLNVVBSXKMPMQB-PBHICJAKSA-N 410.536 3.103 0 40 HGAB CCN(CC)S(=O)(=O)c1cccc(C(=O)OCC(=O)c2cc(C)ccc2C)c1 3387501 ANCYLMWDRCAAPE-UHFFFAOYSA-N 403.500 3.374 0 40 HGAB Cc1cc(C)c(NC(=O)[C@@H](C)OC(=O)c2ccccc2NS(C)(=O)=O)c(C)c1 4486725 QWDDNWSITVQASH-OAHLLOKOSA-N 404.488 3.167 0 40 HGAB CCOC(=O)C[C@H](NS(=O)(=O)c1cc(F)ccc1OC)c1ccccc1Cl 4751646 YQDINXNBUIKJBW-HNNXBMFYSA-N 415.870 3.461 0 40 HGAB Cc1occc1-c1nnc(SCC(=O)N2CCC(C)CC2)n1C[C@@H]1CCCO1 4860270 FJCPFFOYUNPFGQ-INIZCTEOSA-N 404.536 3.376 0 40 HGAB COc1ccc(/C=C\C(=O)O)cc1S(=O)(=O)N1CCC(Cc2ccccc2)CC1 6092616 WGMHXIKFYOXRAO-NTMALXAHSA-N 415.511 3.436 0 40 HGAB CC(C)[C@@H](C(=O)O)N1CC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C1=O 6564143 PEMHOAIHPQJNIM-SFTDATJTSA-N 422.481 3.235 0 40 HGAB CCCOc1ccccc1C(=O)N(Cc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 6811007 UDXVACMJLHZHHK-SFHVURJKSA-N 405.491 3.444 0 40 HGAB CC(C)c1cccc(NS(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c1 7055737 KEENGOMTEAKLRV-UHFFFAOYSA-N 408.545 3.395 0 40 HGAB Cc1ccc(NC(=O)CN(C)C(=O)CN(Cc2cccs2)C[C@@H]2CCCO2)cc1 7927401 LLAAZJHMCVBDNU-IBGZPJMESA-N 415.559 3.135 0 40 HGAB COC(=O)c1c(NC(=O)Cn2cnc3sccc3c2=O)sc2c1CC[C@H](C)C2 8244371 ZQLPVUCCCFAJTR-JTQLQIEISA-N 417.512 3.070 0 40 HGAB CC(C)c1ccc(OCc2nnc(SCC(=O)N3CCCC[C@@H]3C)n2N)cc1 8428984 SOKJIGIIYCWKRM-HNNXBMFYSA-N 403.552 3.187 0 40 HGAB COc1ccc(C)cc1NC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1 8709245 DYKLCFKOXWQLPQ-HOTGVXAUSA-N 418.515 3.054 0 40 HGAB O=c1c2nnn(-c3ccc(Br)cc3)c2ncn1Cc1cccc(Cl)c1 8903305 VFLDFMQWQIXEQT-UHFFFAOYSA-N 416.666 3.441 0 40 HGAB COc1ccc([C@@H](CNC(=O)C(=O)Nc2cc(C)on2)c2c[nH]c3ccccc23)cc1 9304128 SDUBRNNIIYUEOD-GOSISDBHSA-N 418.453 3.360 0 40 HGAB COC(=O)Cn1cnc2c(sc3nc(C(C)C)c4c(c32)CC(C)(C)OC4)c1=O 9422928 OCBVUDKDXJDFFT-UHFFFAOYSA-N 401.488 3.154 0 40 HGAB C[C@H](C(=O)Nc1ccc(F)c(C(F)(F)F)c1)N1C(=O)c2ccccc2S1(=O)=O 10188061 WSSQBDBJYJLVBE-SECBINFHSA-N 416.352 3.016 0 40 HGAB Cc1ccccc1NC(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 11764801 JGIGXSHEBKVDMF-UHFFFAOYSA-N 404.396 3.307 0 40 HGAB COc1ccc(CNC(=O)[C@@H]2[C@@H]3[C@H]2CC[C@@]32CC(=O)c3ccccc3O2)cc1OC 12122244 NJSSWXZFUOZIBC-IDOMGHHASA-N 407.466 3.380 0 40 HGAB COc1ccc2c(CN3CCC[C@@H](c4cc(N)n5nc(C)cc5n4)C3)cn(C)c2c1 12143955 OPWNIRFYADLLMD-MRXNPFEDSA-N 404.518 3.500 0 40 HGAB Cc1nc(C)n([C@@H](C)CNC(=O)Cn2c(-c3ccc(F)cc3)cc3cccnc32)n1 12144026 PXVQYGUORBQLCF-AWEZNQCLSA-N 406.465 3.428 0 40 HGAB Cc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3ccc4c(c3)OCCO4)n2)cc1 12441101 PHXBITARUCUIPG-UHFFFAOYSA-N 405.454 3.409 0 40 HGAB C[C@@H](Sc1ccc(S(=O)(=O)N2CCCC2)cn1)C(=O)N(C)c1ccccc1 12537493 HPYYJDOKQVGXMM-OAHLLOKOSA-N 405.545 3.010 0 40 HGAB Cn1ccnc1[C@@H](NC(=O)CNC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 12559906 LGHAABIGOCRLGG-SFHVURJKSA-N 417.296 3.363 0 40 HGAB Cc1ccc(OCCNC(=O)NCC(=O)Nc2ccccc2Br)c(C)c1 12752502 UEYIKYVNQHPXPT-UHFFFAOYSA-N 420.307 3.383 0 40 HGAB COc1cc2c(cc1OC)CN(C(=O)C1=NN(c3cc(C)ccc3C)C(=O)CC1)CC2 12779405 YJSIHLCWHHQAKD-UHFFFAOYSA-N 421.497 3.388 0 40 HGAB O=C(/C=C/c1ccc(N2CCCC2=O)cc1)N[C@H](CN1CCOCC1)c1ccccc1 12824291 PRMBMGILWRRORU-UQNNOOFXSA-N 419.525 3.016 0 40 HGAB Cc1cccc(-c2nnc(S)n2CC(=O)NC[C@@H](c2cccc(F)c2)N(C)C)c1 12920852 VTGQVEDDACNYHK-SFHVURJKSA-N 413.522 3.100 0 40 HGAB C[C@@H]1Oc2ccc(NC(=O)Cc3csc(NC(=O)c4ccccc4)n3)cc2NC1=O 12935961 RMWQQEIPCUFUBO-LBPRGKRZSA-N 422.466 3.296 0 40 HGAB COc1ccc2[nH]c(C(=O)NCCCC(=O)Nc3ncc(C)s3)cc2c1OC 13733711 AKWLCDMHBRQOBZ-UHFFFAOYSA-N 402.476 3.099 0 40 HGAB CS(=O)(=O)NC1CCN(C(=S)Nc2ccc(Oc3ccccc3)cc2)CC1 15497194 MREPZXPSUDLGPC-UHFFFAOYSA-N 405.545 3.189 0 40 HGAB Cc1ccc(C)c(SCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 16811295 CDUAFFCWRQVOOD-UHFFFAOYSA-N 407.557 3.495 0 40 HGAB Cn1nnc(NC(=S)NC(=O)/C=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)n1 17093446 RVQCNKNBDPPPBI-HWKANZROSA-N 423.285 3.303 0 40 HGAB O=C(CCn1c(S)nnc1-c1ccc(F)cc1)N1CCN(c2ccccc2)CC1 17358316 IWTIKOTXSPCFCL-UHFFFAOYSA-N 411.506 3.112 0 40 HGAB CN(C)C(=O)[C@@]1(Cc2ccc(-c3cccnc3)cc2)CN(C(=O)C(C)(C)C)CCO1 19081451 MZXOMMBDAATQJT-XMMPIXPASA-N 409.530 3.023 0 40 HGAB Cn1nc2c(c1C(=O)Nc1ccc3c(c1)nc(CN1CCCCC1)n3C)CCCC2 19289826 RFNWQBRTZNUVDS-UHFFFAOYSA-N 406.534 3.424 0 40 HGAB C[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)c1ccc2c(c1)CCCO2 19458855 VRBXELJUSHBNJQ-CRAIPNDOSA-N 422.481 3.013 0 40 HGAB Cc1cc(-c2cnc(N)nc2)cc(C2CCN(CC(=O)NC3CCCCC3)CC2)n1 19691945 CZBWCFCYFHOWFI-UHFFFAOYSA-N 408.550 3.058 0 40 HGAB Cc1cnc(NC(=O)CN2CCO[C@H](c3nccnc3-c3cccc(F)c3)C2)s1 19693227 MRRFGGYAEOSUKV-INIZCTEOSA-N 413.478 3.060 0 40 HGAB COCCNC(=O)c1sc2ncccc2c1[C@H]1CCN(C(=O)Cc2ccccc2)C1 19704843 QOELXDKUEIIRIX-KRWDZBQOSA-N 423.538 3.231 0 40 HGAB CCOc1cccc2sc(NC(=O)CN3C(=O)N[C@](C)(c4ccccc4)C3=O)nc12 19715297 SONNLMPRXUAGMG-OAQYLSRUSA-N 424.482 3.101 0 40 HGAB Cc1nc([C@@H]2CCN(C(=O)c3cc[nH]n3)C2)ncc1C(=O)Nc1ccc(Cl)cc1 19754106 DQUCRIXPRJJAHU-CYBMUJFWSA-N 410.865 3.044 0 40 HGAB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(OC)c(Cl)c1 20005905 IJUIIVGIXPJMSX-KSSFIOAISA-N 424.950 3.153 0 40 HGAB CCN(CC(=O)N[C@@H](C)c1ccc(SC)cc1)S(=O)(=O)c1ccc(F)cc1 20014869 UTKQNYHVHBDKER-AWEZNQCLSA-N 410.536 3.436 0 40 HGAB CSc1nc(SCC(=O)NCc2ccco2)c2c3c(sc2n1)CN(C)CC3 20358623 NQRNUUBDWZDGSY-UHFFFAOYSA-N 420.585 3.403 0 40 HGAB CS(=O)(=O)N1C[C@H](C(=O)Nc2c(Cl)cccc2Cl)Oc2ccccc21 20451012 FTAASXLNMZIBCD-CQSZACIVSA-N 401.271 3.159 0 40 HGAB CCOc1ccc(CCCNC(=O)CN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 22329582 JYNNVZFTDQLTPJ-UHFFFAOYSA-N 418.559 3.217 0 40 HGAB Cc1cccc(NC(=O)CN2CCN(Cc3nnc(-c4cccs4)o3)CC2)c1C 22812827 VVKLHVXDJQMXPR-UHFFFAOYSA-N 411.531 3.171 0 40 HGAB COc1ccc(C)cc1NC(=O)c1cccc(S(=O)(=O)NCC(F)(F)F)c1 23710875 YYGCKNMQSCITNK-UHFFFAOYSA-N 402.394 3.097 0 40 HGAB O=S(=O)(NCCCOC[C@H]1CCCO1)c1ccc(Cl)c(C(F)(F)F)c1 24992826 QZCGRZWRLADIAP-LLVKDONJSA-N 401.834 3.223 0 40 HGAB O=C(NC1CCN(C(=O)COc2ccc(F)cc2Cl)CC1)c1ccc(F)cc1 25213833 GUGOBRMNDORGOS-UHFFFAOYSA-N 408.832 3.418 0 40 HGAB Cc1c(C(=O)NCc2ccc(S(N)(=O)=O)cc2)oc2cc(Br)ccc12 27663343 BHNOEVWDRYWOAO-UHFFFAOYSA-N 423.288 3.081 0 40 HGAB Cc1ccc([C@](O)(CCNC(=O)c2cnn(Cc3ccccc3)c2)C(F)(F)F)o1 31570617 NAWJYSKCLSVGSS-LJQANCHMSA-N 407.392 3.403 0 40 HGAB COC(=O)C[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1)c1cccs1 32453842 BLLFOINCQGGTLO-WMZOPIPTSA-N 412.511 3.010 0 40 HGAB CNC(=O)NC(=O)CCS[C@H](C)c1nc2scc(-c3ccccc3)c2c(=O)[nH]1 32778730 JNXMBRBRVXPXAZ-LLVKDONJSA-N 416.528 3.292 0 40 HGAB O=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)[C@@H]1CCCN1C(=O)c1ccco1 32907955 BMOUWHHYJAMKMS-IBGZPJMESA-N 415.921 3.318 0 40 HGAB CC(=O)c1c(C)cc(C)c(COC(=O)CNS(=O)(=O)c2ccc(C)cc2)c1C 32910202 RVNYEDZMAOPJET-UHFFFAOYSA-N 403.500 3.145 0 40 HGAB CC(C)(C)c1noc(CCC(=O)Nc2ccc(NC(=O)NC[C@H]3CCCO3)cc2)n1 32938213 YFHDDXKQODJSKL-MRXNPFEDSA-N 415.494 3.239 0 40 HGAB COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc2c(c1)NC(=O)[C@H](C)S2 32991030 QDYMWKWAFKTQPU-SGTLLEGYSA-N 423.494 3.115 0 40 HGAB O=C(CCn1ccnc1)Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1O 33528147 FIDYFPQDSSXHLQ-UHFFFAOYSA-N 420.878 3.072 0 40 HGAB COc1ccc(S(=O)(=O)Nc2ccc(I)cc2F)cc1 33868981 YNJDDIWTNRHTJC-UHFFFAOYSA-N 407.204 3.240 0 40 HGAB Cc1ccc(NC(=O)C[C@@H]2C(=O)N[C@@H]3CCCC[C@@H]3N2C(=O)c2ccc(F)cc2)cc1 36007147 GCTJTVYVJADNKU-QHAWAJNXSA-N 423.488 3.415 0 40 HGAB O=C(NCc1ccccn1)c1ccc2c(c1)C(=O)N(Cc1ccccc1Cl)C2=O 36358451 SMTYBHLHEIHEQK-UHFFFAOYSA-N 405.841 3.461 0 40 HGAB COc1ccc(N2C[C@]34C=C[C@H](O3)[C@H](C(=O)N[C@@H](C)CCCC(C)C)[C@H]4C2=O)cc1 36369701 OLAUHODKTOCQBC-CYBFVLSLSA-N 412.530 3.313 0 40 HGAB CCOCn1cc(NC(=O)c2cc(-c3ccc(OC)cc3)nc3c2c(C)nn3C)cn1 36613625 CBSLSVQVPCRHAA-UHFFFAOYSA-N 420.473 3.395 0 40 HGAB C[C@H](Cn1cccn1)NC(=O)c1cc(C2CC2)nc2c1cnn2-c1ccccc1F 36616202 YZRQENITHHTWHK-CQSZACIVSA-N 404.449 3.452 0 40 HGAB CC(=O)N1CCOc2cc(S(=O)(=O)N3CCC[C@@H]3c3ccccc3C)ccc21 36620432 JPTMXEBMKNOHCA-LJQANCHMSA-N 400.500 3.266 0 40 HGAB C[C@H]1CN(c2ccc(C(=O)N[C@@H](C)c3ccc4c(c3)CCC(=O)N4)cn2)C[C@@H](C)O1 45981371 FIGLAKYEJXNVDY-XHSDSOJGSA-N 408.502 3.071 0 40 HGAB C[C@@H](Cc1cccc(Cl)c1)NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccccc1 48363123 SDBFDDUQBPQVIE-HNAYVOBHSA-N 406.935 3.241 0 40 HGAB Cc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccc(F)c(F)c4)ncn3n2)c(C)c1 51316987 UCBBRBVGLREGSD-UHFFFAOYSA-N 409.396 3.092 0 40 HGAB C[C@@H](NC(=O)Nc1ccccc1N1CCCCC1)c1ccc(S(N)(=O)=O)cc1 57848405 LFPWAQSVVAGDPY-OAHLLOKOSA-N 402.520 3.207 0 40 HGAB Cc1cccc(OCCNC(=O)[C@H]2CC(=O)N(c3ccc(Br)cc3)C2)c1 59417475 GPIWWFLJPPFWES-HNNXBMFYSA-N 417.303 3.306 0 40 HGAB COc1ccc([C@H](NC(=O)Cc2c(C)nc(-c3cccnc3)[nH]c2=O)C(C)C)cc1 59854920 YPCJDWQRBVTNOA-OAQYLSRUSA-N 406.486 3.205 0 40 HGAB O=C(Cn1nc2c(cc1=O)CCCC2)Nc1nc2ccc(OC(F)(F)F)cc2s1 61717695 WWCQBHOZSHZNLF-UHFFFAOYSA-N 424.404 3.269 0 40 HGAB Cc1c(C(=O)NCc2cc(Br)c3c(c2)OCO3)[nH]c2c1C(=O)CCC2 63819943 ATKMXOFSXWKMBR-UHFFFAOYSA-N 405.248 3.263 0 40 HGAB COc1ccc(NC(=O)[C@H](NC(=O)N2CCN(c3ccccc3)CC2)C(C)C)cc1 71328847 VGPGAKDZNJYMCX-OAQYLSRUSA-N 410.518 3.190 0 40 HGAB C[C@@H]1CCc2ccccc2N1C(=O)Cn1nc(Br)nc1Br 72311128 MCPMWADLDPTDPD-SECBINFHSA-N 414.101 3.171 0 40 HGAB COc1cc(COCC2CCN(CC(=O)Nc3nc(C)cs3)CC2)cc(OC)c1 77191449 HXYCWFBBKLDSTA-UHFFFAOYSA-N 419.547 3.336 0 40 HGAB C[C@H](C1CC1)N(Cc1ccccc1)C(=O)c1nccc2c(S(N)(=O)=O)cccc12 95456881 AQDZLCVTSCXLQT-OAHLLOKOSA-N 409.511 3.323 0 40 HGAB CCOc1ccc([C@@H](N)c2n[nH]c(CCNc3cccc(OC)c3)n2)cc1OCC 95534553 DFBFGFIDTSQIPX-OAQYLSRUSA-N 411.506 3.313 0 40 HGAB CC(C)(C(=O)NC[C@@H]1CN(C(=O)Nc2ccccc2)[C@H]2CCN1C2)c1cccs1 95981215 IIESOOLVBTZTJS-ZWKOTPCHSA-N 412.559 3.133 0 40 HGAB CCCn1nc(C(=O)NC[C@@H]2CC(c3ccc(-c4ccccc4)cc3)=NO2)ccc1=O 96011870 IURNFWVJLZFDSG-FQEVSTJZSA-N 416.481 3.243 0 40 HGAB CCCS(=O)(=O)N1CCC2(CC1)C[C@H](CC(=O)NCC1CC1)c1ccccc12 96242005 SXDPOPGBBPDYQH-SFHVURJKSA-N 404.576 3.164 0 40 HGAB CC(C)CN1C[C@@H]2[C@H](C1)C(=O)NC21CCN(C(=O)Nc2ccc(Cl)cc2)CC1 96262179 HJPQJGOHPAPDKY-ZWKOTPCHSA-N 404.942 3.040 0 40 HGAB N[C@H](C(=O)NC[C@H]1CC[C@H](c2ccnc(Nc3cnccn3)n2)CC1)c1ccccc1 100708850 UYJWXRUVRXCYAF-FVJLSDCUSA-N 417.517 3.100 0 40 HGAB COc1cc(=O)oc(/C=C/C=C/C=C/C(C)=C/[C@]2(C)O[C@H](C)[C@@](C)(O)[C@@H]2O)c1C 102137081 JLSVDPQAIKFBTO-XVZSKNFOSA-N 402.487 3.318 0 40 HGAB biogenic,in-vitro O=C(O)c1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccccc4)[C@H]3C2=O)cc1 102762413 GGMRDPNNDBIXGV-NJDAHSKKSA-N 414.417 3.436 0 40 HGAB C[C@@H]1C[C@H]1c1ccc(CN(C)C(=O)CC[C@@H]2NC(=O)N(c3ccc(F)cc3)C2=O)o1 105665562 KXZVHZSWTUYNKT-XWIAVFTESA-N 413.449 3.406 0 40 HGAB COC(=O)[C@H]1[C@H]2NC(=S)N(c3ccc(F)cc3)[C@@]1(C)Oc1c(OC)cccc12 106550067 NSDJSXZOVIYGCV-GUXCAODWSA-N 402.447 3.168 0 40 HGAB COc1cccc2c1O[C@@]1(C)C[C@H]2[C@@H](S(=O)(=O)c2ccc(Cl)cc2)C(=O)N1C 169779799 IFKOZKDTOHNSAT-ZTNFWEORSA-N 421.902 3.245 0 40 HGAB CCOC[C@]1(CN)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(OC)cc1 218121778 ZJNJMNNUEPNQEG-UFYCRDLUSA-N 409.935 3.270 0 40 HGAB Cc1ccc(CSCCNC(=O)[C@H](C)N(c2cccc(F)c2)S(C)(=O)=O)cc1 220468587 DETYZELXNVONDA-INIZCTEOSA-N 424.563 3.338 0 40 HGAB CCOc1cccc(NS(=O)(=O)c2nnc(NC(=O)c3cccc(C)c3)s2)c1 224751060 MRURIOZCIKZVDE-UHFFFAOYSA-N 418.500 3.298 0 40 HGAB CCOc1ccc2c(c1)OC1(CCN(C(=O)c3ccc4c(c3)OCO4)CC1)CC2=O 225820660 DLKWXTOVJHQTIT-UHFFFAOYSA-N 409.438 3.454 0 40 HGAB CCOc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3cc(C)cc(C)c3)CC2=O)cc1 409144222 DWWRQBWZSQIKMN-KRWDZBQOSA-N 410.470 3.237 0 40 HGAB Cc1ccc(NC(=O)CSc2nnc(CNC(=O)Cc3ccccc3)n2C)cc1C 409150877 FIEGSIUCSCUKTE-UHFFFAOYSA-N 423.542 3.022 0 40 HGAB Cc1cc(=O)c(OCC(=O)N2CCc3[nH]c4ccc(OC(F)(F)F)cc4c3C2)c[nH]1 524735475 DVVGGMTWIXXMEQ-UHFFFAOYSA-N 421.375 3.027 0 40 HGAB Cc1ccccc1[C@H](OC[C@H](O)CN[C@H]1CCC(=O)NC12CCC2)c1ccccc1 549118026 PVNPLZSTMPEWDK-JCTONOIOSA-N 408.542 3.253 0 40 HGAB O=C(Cc1ccc(F)cc1Br)N1CCC[C@H](COc2ncccn2)C1 1775995016 KXDUZCPNJZHLEO-ZDUSSCGKSA-N 408.271 3.238 0 40 HGAB CC(C)n1nc(C(=O)N2CCC(c3ccc4cc(Cl)cnc4n3)CC2)ccc1=O 1890238671 RQSMIPCOTJWDAH-UHFFFAOYSA-N 411.893 3.441 0 40 HGAB O=C(CCC(F)(F)F)N1CCC[C@@]2(CC1)CN(c1ccc(F)cc1)C(=O)CO2 2037988542 TYJXDIHOKCFEHB-GOSISDBHSA-N 402.388 3.283 0 40 HGAB Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(Br)cc3)n2N)cc1 639440 HZEACGQOQMMOGW-UHFFFAOYSA-N 418.320 3.461 0 40 HGAB Cc1ccc(S(=O)(=O)C2=C(NN)C(=O)N(c3ccccc3)[C@H]2c2ccccc2)cc1 1413388 VNTOLJSMMKLQPQ-NRFANRHFSA-N 419.506 3.232 0 40 HGAB CCOc1ccc(NC(=O)COC(=O)CNC(=O)c2ccc(C(C)(C)C)cc2)cc1 1943703 TUXSGOVLJRYFKR-UHFFFAOYSA-N 412.486 3.295 0 40 HGAB O=C(CSc1nc2c(c(=O)n1-c1ccc(F)cc1)SCC2)NCc1ccco1 2459484 PQSFRDWMKRBQFN-UHFFFAOYSA-N 417.487 3.021 0 40 HGAB COc1ccc(CCNC(=O)CNC(=O)c2ccc(-c3ccccc3)cc2)cc1OC 2623420 CEJXYCLBXCCKEZ-UHFFFAOYSA-N 418.493 3.460 0 40 HGAB CCOC(=O)[C@@](NC(=O)c1ccccc1Cl)(Nc1cc(C)on1)C(F)(F)F 3103416 FXMCMSMQCNIKKN-HNNXBMFYSA-N 405.760 3.300 0 40 HGAB CCCc1cc(=O)oc2cc(OC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)ccc12 3397890 GBAYLXHSUTXEGZ-UHFFFAOYSA-N 415.467 3.215 0 40 HGAB COc1ccc(C(=O)Nc2c3c(nn2-c2ccc(F)cc2)C[S@@](=O)C3)cc1OC 4106303 SFMWGGUGXGAPEX-GDLZYMKVSA-N 415.446 3.043 0 40 HGAB Cc1cc(C)c(NC(=O)C[S@](=O)CC(=O)NCCCc2ccccc2)c(C)c1 4895741 SKHOWWDVGDFHCV-NDEPHWFRSA-N 400.544 3.048 0 40 HGAB Cc1nc(N2CCN(c3ccccn3)CC2)nc2c1C(=O)C[C@@H](c1ccccc1O)C2 5274293 WRGCHHRCWNKDQM-KRWDZBQOSA-N 415.497 3.125 0 40 HGAB C[C@H](NCCCCN[C@H](C)[C@H]1COc2ccccc2O1)[C@@H]1COc2ccccc2O1 5357766 OXRDDUYRLVIHPO-LYWNTADJSA-N 412.530 3.403 0 40 HGAB CN(CC(=O)Nc1ccc(I)cc1)C(=O)Oc1ccccc1 5913325 HZCURMDHZUNYRT-UHFFFAOYSA-N 410.211 3.361 0 40 HGAB NC(=O)c1c(NC(=O)COC(=O)/C=C/c2ccc(Cl)cc2)sc2c1CCC2 6065043 ZFIJHDMWXINTPB-RMKNXTFCSA-N 404.875 3.184 0 40 HGAB COc1ccc(N(CC(=O)NCCC(C)C)S(=O)(=O)c2ccccc2)c(OC)c1 6325707 SUDDWSHPZUADGV-UHFFFAOYSA-N 420.531 3.061 0 40 HGAB O=C(Nc1ccccc1N1CCOCC1)c1ccc2c(=O)n3c(nc2c1)CCCCC3 6510130 RZFQOPWBLDAMCS-UHFFFAOYSA-N 418.497 3.212 0 40 HGAB C[C@@H](c1ccccc1)N1C[C@H](C(=O)OCC(=O)Nc2cccc(Cl)c2)CC1=O 7232396 VKCRKRFBZPDDJF-GOEBONIOSA-N 400.862 3.431 0 40 HGAB C[C@@]1(c2ccc3c(c2)OCCCO3)NC(=O)N(Cc2ncc(-c3ccccc3)o2)C1=O 7282336 QGHPOWAJQUUJNA-QHCPKHFHSA-N 419.437 3.470 0 40 HGAB CN(C)S(=O)(=O)c1ccc(C(=O)OCc2csc(Nc3ccccc3)n2)cc1 7718672 SCIDPANYUUKVKV-UHFFFAOYSA-N 417.512 3.494 0 40 HGAB C[C@@H](OC(=O)c1cc(-c2ccccc2)c(N2CCOCC2)s1)C(=O)NC1CC1 7998547 AKMLTXQVRAVYTM-CQSZACIVSA-N 400.500 3.076 0 40 HGAB COc1cccc([C@]2(C)NC(=O)N(Cc3nnc(-c4ccc(Cl)cc4)o3)C2=O)c1 8489434 PSGIZKIVTSWFQH-FQEVSTJZSA-N 412.833 3.366 0 40 HGAB O=C(CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O)c1ccc2c(c1)CCCC2 8882970 QZRCHPNHMRWAMC-NRFANRHFSA-N 401.466 3.393 0 40 HGAB O=C(Nc1nc2c(s1)CCC2)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 8928286 YKRYLYGCFGMCMZ-CQSZACIVSA-N 411.936 3.077 0 40 HGAB CCOc1ccc(N2C[C@@H](CNS(=O)(=O)c3ccc(C)c(C)c3)CC2=O)cc1 9036235 AQTRQSFFHHIPFW-QGZVFWFLSA-N 402.516 3.034 0 40 HGAB O=C(Cn1ccn2nc(-c3ccccc3)cc2c1=O)NCCc1ccc(Cl)cc1 9321064 WDAIMRIRZPECOA-UHFFFAOYSA-N 406.873 3.175 0 40 HGAB CCOC(=O)c1c(NC(=O)CNc2ccc(F)cc2C)sc(C(=O)NC)c1C 9451825 JIZIKDNHNDGHQN-UHFFFAOYSA-N 407.467 3.091 0 40 HGAB O=C(Cc1ccc(Br)cc1)NCCn1nc(-c2ccccc2)ccc1=O 9660833 GVAYCVKIPDMCNW-UHFFFAOYSA-N 412.287 3.032 0 40 HGAB COc1ccc(C(=O)C2CCN(C(=O)CNC(=O)c3ccccc3Cl)CC2)cc1 9983548 HNFVOQAHBWBBQB-UHFFFAOYSA-N 414.889 3.200 0 40 HGAB CCOC(=O)c1cnc(S[C@@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)nc1N 12557525 GSQDKZVBUMSTAR-VIFPVBQESA-N 414.409 3.374 0 40 HGAB Cc1ccc2c(c1)C(=O)N(CCCC(=O)N[C@@H](c1ccccc1)c1nccn1C)C2=O 12627257 JPYJUERPHLMZGY-NRFANRHFSA-N 416.481 3.011 0 40 HGAB COc1c2c(cc3c1[C@@H](C[C@@H](O)CCc1ccc4c(c1)OCO4)N(C)CC3)OCO2 12661583 SDGLWTATVZQCPU-DLBZAZTESA-N 413.470 3.065 0 40 HGAB biogenic Fc1ccc(-c2noc(Cn3nnc(-c4ccc(Br)cc4)n3)n2)cc1 12766014 UXEBRDHLRISQOX-UHFFFAOYSA-N 401.199 3.340 0 40 HGAB Cc1cc(C)c(S(=O)(=O)N2CCN(c3cc(C)nc(C(C)C)n3)CC2)c(C)c1 12790704 FZVLSGRXUNKPFJ-UHFFFAOYSA-N 402.564 3.345 0 40 HGAB COc1ccc(S(=O)(=O)N(Cc2ccco2)Cc2ccco2)cc1NC(C)=O 12817001 JSTHFETWMFVQKS-UHFFFAOYSA-N 404.444 3.231 0 40 HGAB CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1c(CC)noc1C 12916625 QPJZTWBAJAADQY-UHFFFAOYSA-N 421.519 3.371 0 40 HGAB CCNS(=O)(=O)c1ccc(C)c(C(=O)NC[C@H](c2ccccc2)N(CC)CC)c1 12998035 FORKMBSMTGWXBK-OAQYLSRUSA-N 417.575 3.106 0 40 HGAB O=S1(=O)c2ccccc2[C@H](O)[C@@H](Cc2c[nH]c3ccccc23)N1Cc1cccnc1 13691147 NAVBAMNTAPFPOO-GGAORHGYSA-N 419.506 3.412 0 40 HGAB O=C(c1ccc(-c2nnn[nH]2)cc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 14141933 QWRIHRGBBFFGMO-UHFFFAOYSA-N 424.508 3.414 0 40 HGAB CCCN(CC(=O)Nc1ccc2c(c1)OCCO2)S(=O)(=O)c1cccc(Cl)c1 14353976 RCGUZRUAWYBJCT-UHFFFAOYSA-N 424.906 3.151 0 40 HGAB C[C@@H](OC(=O)c1ccc(OC[C@H]2CCCO2)cc1)C(=O)NC(=O)Nc1ccccc1 14705827 XTKKIMUCIPIPON-DNVCBOLYSA-N 412.442 3.138 0 40 HGAB COC(=O)c1cccc(NS(=O)(=O)c2cc(Br)ccc2OC)c1 16096384 WNOYGTSPUSXAIS-UHFFFAOYSA-N 400.250 3.045 0 40 HGAB CCNS(=O)(=O)c1cc(C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OC 16681864 JBTHBHBGTUEENG-UHFFFAOYSA-N 402.394 3.265 0 40 HGAB COc1ccc(-c2noc(Cn3ccn4nc(-c5ccc(F)cc5)cc4c3=O)n2)cc1 16842715 NZDCACDTJXPSEM-UHFFFAOYSA-N 417.400 3.409 0 40 HGAB CCC(=O)Nc1ccc([C@H](O)CN2CCC3(CC2)C[C@H](O)c2ccccc2O3)cc1 19499338 JXOWJKPNXFLDAC-LEWJYISDSA-N 410.514 3.419 0 40 HGAB CCOc1ccc(CN2CC[C@@H](c3nc(-c4cccnc4)cc(=O)[nH]3)C2)cc1OC 19533733 AKRMOPBYDQUOBY-GOSISDBHSA-N 406.486 3.229 0 40 HGAB Cc1ccc(-c2cnc(NC(=O)Cn3c(C)nc4ccccc4c3=O)n2C)cc1C 19665028 RULFAGBKBUUIDO-UHFFFAOYSA-N 401.470 3.361 0 40 HGAB Cc1nc(CC(=O)N2CCC[C@H](c3ccc(C(=O)N4CCCCC4)cn3)C2)cs1 19705557 DSFXHSZFSMNJSK-SFHVURJKSA-N 412.559 3.421 0 40 HGAB Cc1c(-c2ccnc3cc(C(=O)NCC(C)(C)c4ccc(F)cc4)nn23)cnn1C 19719022 HFJRBSGHJSIYFZ-UHFFFAOYSA-N 406.465 3.285 0 40 HGAB O=C(COc1ccc(Cl)cc1S(=O)(=O)N1CCCC1)NC1CCCCCC1 19935192 SKKYXBWKGQQUOQ-UHFFFAOYSA-N 414.955 3.342 0 40 HGAB COc1ccc(CCCNC(=O)CN(c2ccc(Cl)cc2C)S(C)(=O)=O)cc1 22336555 GXOVLJDGMDNBEA-UHFFFAOYSA-N 424.950 3.172 0 40 HGAB C[C@H](C(=O)NCCc1cccs1)N1CCN(Cc2nc3ccccc3s2)CC1 22802919 UAVNQONUIRDWNC-MRXNPFEDSA-N 414.600 3.223 0 40 HGAB O=C(Cn1cnc2c(-c3ccccc3)csc2c1=O)Nc1ccc2c(c1)OCO2 23126365 WNWYCAGXCQBNDA-UHFFFAOYSA-N 405.435 3.492 0 40 HGAB CC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)OC[C@H]1CC1(Cl)Cl)C2=O 23223548 GNUWRYNZCKSUDM-VMBJYNEYSA-N 405.322 3.250 0 40 HGAB CCOC(=O)c1ccc(OC[C@H](O)CN(C)Cc2nc3ccccc3s2)cc1 25233648 ALNMCKIJKAVDIT-MRXNPFEDSA-N 400.500 3.345 0 40 HGAB Cc1ccc(C)c(S(=O)(=O)CCN2CCN(c3cc(C)nc(C(C)C)n3)CC2)c1 27545308 YPNBQTRLKZWLEC-UHFFFAOYSA-N 416.591 3.121 0 40 HGAB Cc1cnc2c(S(=O)(=O)Nc3ccc(NC(=O)[C@H]4CCCO4)cc3)cccc2c1 30531490 UXVBWKPZYLIMFM-GOSISDBHSA-N 411.483 3.462 0 40 HGAB CS(=O)(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC(c3ccccc3)CC2)c1 32470949 YHMVLNZCOBUCEJ-UHFFFAOYSA-N 413.948 3.312 0 40 HGAB O=C(/C=C/c1ccccc1)NCC(=O)Nc1nc(-c2ccc3c(c2)OCO3)cs1 32731938 QSZSEXCZMFTWLR-RMKNXTFCSA-N 407.451 3.307 0 40 HGAB CC(=O)N[C@H](CC(=O)N1CCC[C@@H](c2nnc3n2CCCCC3)C1)c1ccc(C)cc1 32760570 RCBLGIOPVYSOJL-NHCUHLMSSA-N 423.561 3.286 0 40 HGAB Cc1cc(C(=O)NCc2c(C)nn(C)c2C)c2c(C)nn(-c3ccc(F)cc3)c2n1 36615914 IZKNYDYCONHFQK-UHFFFAOYSA-N 406.465 3.457 0 40 HGAB Cc1nc(N2CCOCC2)sc1C(=O)N[C@H](CN1CCCCC1)c1ccccc1 36752362 VOFVVCARZWNFCJ-LJQANCHMSA-N 414.575 3.245 0 40 HGAB Cc1cc(C(=O)N[C@H]2CCCc3c2cnn3Cc2ccccc2)ccc1-n1cnnn1 40081855 KFAWDGIMGBFZSS-FQEVSTJZSA-N 413.485 3.023 0 40 HGAB COc1cc(CS(=O)(=O)[C@@H](C)C(=O)N(C)c2ccccc2)ccc1OC(F)F 40106104 RCOJCHYCSVDHMH-ZDUSSCGKSA-N 413.442 3.263 0 40 HGAB Cc1ccc(C)c(Oc2ccc(CNC(=O)c3ccc(S(N)(=O)=O)cc3)cn2)c1 40107158 CQTZEUFNRXZYIT-UHFFFAOYSA-N 411.483 3.068 0 40 HGAB c1ccc(N2CCN(Cc3nc(-c4ccc(N5CCSCC5)nc4)no3)CC2)cc1 49409734 XMJPYNMAJMMYPH-UHFFFAOYSA-N 422.558 3.007 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2CCNC(=O)/C=C/c2ccco2)cc1 49486638 AYLJWGPNJIXGNW-ZPHJMFTNSA-N 402.516 3.351 0 40 HGAB Cc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccc(Cl)cc4)ncn3n2)c(C)c1 51316995 HGXVRBADSSKPIH-UHFFFAOYSA-N 407.861 3.467 0 40 HGAB C[C@@H]1CN(c2ccc(NC(=O)NC[C@H](O)c3cccc(F)c3)cc2F)C[C@@H](C)O1 58323152 VICNIYJXNFVZBN-JZKQVHKSSA-N 405.445 3.434 0 40 HGAB CCc1noc(-c2ccnc(-n3cnc(C(=O)NCc4ccccc4Cl)c3)c2)n1 65250914 ISUOUUSBHYVDIX-UHFFFAOYSA-N 408.849 3.463 0 40 HGAB O=C1CC[C@@]2(C(=O)N3CCN(c4nccs4)CC3)Sc3ccc(Cl)cc3N12 65564990 IUPAXIDHNGKMBL-SFHVURJKSA-N 420.947 3.074 0 40 HGAB CCn1c(SCC(=O)N[C@H](C)c2ccc(OC)cc2)nc2cc(C)[nH]c2c1=O 67235846 KDIUASKXAYVCQX-CYBMUJFWSA-N 400.504 3.031 0 40 HGAB COc1ccc(CNC(=O)CCn2ccn3nc(-c4ccc(F)cc4)cc3c2=O)cc1 67261077 NJFCOZRXLYXZKF-UHFFFAOYSA-N 420.444 3.017 0 40 HGAB O=C(NCCC(=O)N1CCCc2ccccc21)[C@H]1CCCN(Cc2ccccc2)C1 71824126 CHPPJFSZHQUBJE-QFIPXVFZSA-N 405.542 3.384 0 40 HGAB CN(C)S(=O)(=O)c1cc(C(=O)Nc2cccc(Cl)n2)ccc1Br 72307885 JREQJJZJGQJELP-UHFFFAOYSA-N 418.700 3.000 0 40 HGAB Cc1nc(N)cc(N2CCC[C@@H](c3nc(N4CCCC4)ncc3-c3cccnc3)C2)n1 72338423 ZIEMFKMKZCEZSZ-GOSISDBHSA-N 416.533 3.203 0 40 HGAB CCOC(=O)CC[C@H]1CCCN(C(=O)c2cnn(-c3ccccn3)c2C(F)(F)F)C1 84792617 DOKJMKAUDYOWMH-CQSZACIVSA-N 424.423 3.482 0 40 HGAB COc1ccc(NC(=O)C2=NO[C@]3(CCCN(C(=O)NCc4ccccc4)C3)C2)cc1 96074374 VTIAMFCIJMZQSY-HSZRJFAPSA-N 422.485 3.154 0 40 HGAB COc1cccc(C(=O)N2C[C@@H](C(=O)Nc3cccc(F)c3)C3(CCOCC3)C2)c1 96078667 PIVDDSCRLASTCL-FQEVSTJZSA-N 412.461 3.342 0 40 HGAB COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(C)c(Cl)c4)C(=O)[C@H]3N3CCCN23)cc1 100807793 ZWKGDCTXNBEQDU-ZCNNSNEGSA-N 411.889 3.193 0 40 HGAB CCCCc1ccc(N2C(=O)C[C@@H](N3CCN(c4ccc(O)cc4)CC3)C2=O)cc1 102305437 ALNSEBOCLOSAAB-JOCHJYFZSA-N 407.514 3.189 0 40 HGAB Cc1cc(N2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)nn1Cc1ccc(Cl)cc1Cl 102631933 VNQCGRGVWMGPII-JHNDHUHGSA-N 406.269 3.213 0 40 HGAB Cc1ccc([C@H]2[C@H](S(=O)(=O)c3ccccc3)[C@@]2(CN)NC(=O)OC(C)(C)C)cc1 218608859 TZNSCRNWRYDTDD-IPJJNNNSSA-N 416.543 3.157 0 40 HGAB COc1ccc(F)cc1S(=O)(=O)N1CCC[C@@H](C(=O)N(C)c2ccc(F)cc2)C1 222625758 ZQCNZRSGKXLOTH-CQSZACIVSA-N 424.469 3.037 0 40 HGAB COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccccc1 223696309 KQQIOOVSVPCLKP-NHCUHLMSSA-N 406.511 3.408 0 40 HGAB CC[C@@H](NC(=O)[C@@H](C)N(c1ccccc1)S(C)(=O)=O)c1ccc(OC)c(C)c1 225101666 PDNVFUXCTSCRHC-VQIMIIECSA-N 404.532 3.426 0 40 HGAB O=C(Cc1cccc(Br)c1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 225616449 OCYIMMURXPEQCM-UHFFFAOYSA-N 423.332 3.415 0 40 HGAB C[C@H](Oc1nn(-c2ccccc2)cc1Br)C(=O)NCc1cccnc1 227153375 AYZWKWCVBRQLIN-ZDUSSCGKSA-N 401.264 3.114 0 40 HGAB COc1ccccc1N1CCN(C[C@@H](O)CO[C@H]2C(C)(C)[C@H]3CC[C@@]2(C)C3)CC1 253478449 LBAQYJOJTNEFOU-SZGVKKGVSA-N 402.579 3.410 0 40 HGAB CCCN(Cc1ccccc1)C(=O)c1ccc(N2C(=O)c3cnncc3C2=O)cc1 408977926 ZPLAMVUZVMKTEA-UHFFFAOYSA-N 400.438 3.330 0 40 HGAB O=C(CN1C(=O)S/C(=C/c2cccc(F)c2)C1=O)Nc1ccc2c(c1)OCO2 409160837 XLTBMYVJIUETOH-FRKPEAEDSA-N 400.387 3.229 0 40 HGAB Cc1ccc(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@]4(C(=O)Nc5c(C)cc(C)cc54)[C@H]3C2=O)cc1 504485253 YPCMCWLQNKCUTE-OZAHESQGSA-N 415.493 3.043 0 40 HGAB biogenic O=S(=O)(Nc1ccc(N2CCOCC2)c2ccncc12)c1cc(F)cc(F)c1 518858126 AUNWNBAVNBWFOE-UHFFFAOYSA-N 405.426 3.150 0 40 HGAB O=C(NC1CCCCC1)c1nnc2n1CC[C@]1(CC2)CCN(C(=O)c2ccccc2)C1 585106629 DAZHJRCWDQAHJB-DEOSSOPVSA-N 421.545 3.209 0 40 HGAB CC(=O)N1CCC(Cc2ccccc2)(C(=O)N2CCC[C@@H](c3n[nH]cc3C)C2)CC1 585261843 UEPWBKUMOKHZPK-OAQYLSRUSA-N 408.546 3.296 0 40 HGAB Cc1c(Br)cccc1S(=O)(=O)N1CCN(C)C[C@H]1c1ccccc1 1196523130 PJKRWVZGASADEI-KRWDZBQOSA-N 409.349 3.435 0 40 HGAB Cn1c(C(=O)NCc2cccs2)nc2c1CCN(C(=O)[C@@]1(C)CC=CCC1)CC2 1614940350 ABNATSAOZPSQMO-QFIPXVFZSA-N 412.559 3.085 0 40 HGAB C[C@H](NC(=O)NCc1cnc(O)c2ccccc12)c1cccc(N2CCOC2=O)c1 1679363209 OZLHGQIJLRYLTP-AWEZNQCLSA-N 406.442 3.457 0 40 HGAB O=S(=O)(c1ccccc1F)N1[C@H]2CC[C@H]1CC(n1cc(Br)cn1)C2 1775973396 IECOJSYVPZVIHB-STQMWFEESA-N 414.300 3.342 0 40 HGAB CCCCN(CC(=O)NCCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 3326315 UYIVYMULBBMDEV-UHFFFAOYSA-N 408.951 3.490 0 40 HGAB CN(CC(=O)Nc1ccc(F)cc1)C(=O)CSc1nnc(-c2ccccc2F)o1 3458991 UFWXWTRABXPKKA-UHFFFAOYSA-N 418.425 3.204 0 40 HGAB CN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@H]2CCCO2)c1 3477487 ALOCXAGXEKPJKS-OAHLLOKOSA-N 414.955 3.202 0 40 HGAB COCCCN1C(=O)c2ccc(C(=O)OCc3nc4ccccc4s3)cc2C1=O 3567696 MIFORXAWWHYHDM-UHFFFAOYSA-N 410.451 3.286 0 40 HGAB Cc1ccc(-n2ncc3c(=O)n(CC(=O)Nc4ccc(F)cc4F)cnc32)cc1C 4166108 JHOQURFIGBEPOL-UHFFFAOYSA-N 409.396 3.116 0 40 HGAB CCOC(=O)NC(Nc1sc2c(c1C(N)=O)CCC2)(C(F)(F)F)C(F)(F)F 4177322 ZDUSJUFOYSZEBA-UHFFFAOYSA-N 419.347 3.315 0 40 HGAB CCOC(=O)C1=NN[C@H](C(=O)c2ccc(Br)cc2)[C@H]1c1ccccc1 4954723 JBQOKHWOJIVBDI-CVEARBPZSA-N 401.260 3.307 0 40 HGAB CCOc1ccc(-c2cccc(NS(=O)(=O)c3ccc(OC)cc3OC)c2)nn1 5204276 IDCDLSAQLQQKFQ-UHFFFAOYSA-N 415.471 3.360 0 40 HGAB CC[C@H]1CCCCN1C(=O)c1cc2c(=O)n3cccc(C)c3nc2n1CCCOC 5205687 CCPRMYSTJCSDNO-KRWDZBQOSA-N 410.518 3.399 0 40 HGAB COc1ccc(OC)c(NC(=O)C2=C(C)NC(=S)N[C@@H]2c2ccc(F)cc2)c1 5500486 QORIWTCAZOHNFG-GOSISDBHSA-N 401.463 3.274 0 40 HGAB COc1ccc2c(CC(=O)O[C@H](C(=O)N3CCOCC3)c3ccccc3)coc2c1 5505061 FKFKLPMKLDCYAQ-QFIPXVFZSA-N 409.438 3.127 0 40 HGAB Cc1ccc(NC(=O)/C=C/c2ccc(Cl)cc2)cc1S(=O)(=O)N1CCOCC1 5975192 DKZBXFPWIJMOSC-WEVVVXLNSA-N 420.918 3.321 0 40 HGAB CC1=C(C(N)=O)[C@H](c2ccccc2)N=C(SCC(=O)Nc2ccc(C)cc2C)N1 6203562 WOEFVHDLFOEFKN-FQEVSTJZSA-N 408.527 3.435 0 40 HGAB CCCCn1c(N)c(N(Cc2ccco2)C(=O)c2ccc(Cl)cc2)c(=O)[nH]c1=O 6221643 HZOSIRRCFCECLY-UHFFFAOYSA-N 416.865 3.012 0 40 HGAB CC(C)CCNC(=O)COc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2)cc1 6325782 BJCVKKHNEDLQCE-KRWDZBQOSA-N 404.532 3.267 0 40 HGAB CCn1nc(C(=O)OCC(=O)Nc2cccc3ccccc23)c2ccccc2c1=O 6544089 NDVDETDSZXOCMJ-UHFFFAOYSA-N 401.422 3.365 0 40 HGAB Cc1nc2ncnn2c(N2CCN(c3ccc(F)cc3)CC2)c1Cc1ccccc1 6672869 SAICOVZGNSEOLY-UHFFFAOYSA-N 402.477 3.489 0 40 HGAB CCc1nnc(S/C(=C\c2cccc(I)c2)C(=O)O)[nH]1 7342586 KBPFPWNLTJUVBS-YFHOEESVSA-N 401.229 3.190 0 40 HGAB Cn1c(SCC(=O)NC(=O)c2ccc(Cl)cc2)nnc1-c1ccc(F)cc1 7653370 NVYXDMXOLPIFOQ-UHFFFAOYSA-N 404.854 3.323 0 40 HGAB O=C(CN1CCC[C@@H]1c1cccs1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 7990854 XAVMREMYRPAAFT-GOSISDBHSA-N 419.572 3.308 0 40 HGAB COc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc4c(c3)OCO4)C2=O)cc1 8116184 ZHXVNJKBSOXNQU-CAOOACKPSA-N 412.423 3.099 0 40 HGAB O=C(COc1ccccc1C(=O)Nc1ccccc1)NC[C@H]1COc2ccccc2O1 8192405 IBEUZSLNVGMWRS-SFHVURJKSA-N 418.449 3.274 0 40 HGAB CCOc1cc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCN(C)C)ccc1O 8254249 LOTOVNLGYVCQDH-OAQYLSRUSA-N 422.481 3.394 0 40 HGAB CCOC(=O)c1ccc(NC(=O)CCCN(c2cccc(C)c2)S(C)(=O)=O)cc1 8494557 OQPDHFBTCRFQOH-UHFFFAOYSA-N 418.515 3.357 0 40 HGAB COc1ccc(S(=O)(=O)NCc2ccc(Cl)cc2)cc1C(=O)N1CCCC1 8560336 FDWHMIOECJWROV-UHFFFAOYSA-N 408.907 3.063 0 40 HGAB COc1ccc(S(=O)(=O)NCc2ccccc2Cl)cc1C(=O)N1CCCC1 8560395 OTERLCFKDPNAIS-UHFFFAOYSA-N 408.907 3.063 0 40 HGAB Cc1ccc(C)c(NC(=O)CN(C)C(=O)COC(=O)CCCc2cccs2)c1 8709765 KJPJBPFQXVXFEG-UHFFFAOYSA-N 402.516 3.328 0 40 HGAB COc1cccc(CNC(=O)COC(=O)c2ccc(C)c(NC(=O)c3ccco3)c2)c1 8882241 KETHMIWZSVPARE-UHFFFAOYSA-N 422.437 3.322 0 40 HGAB COc1ccc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2ccc(F)cc2)cc1OC 9087223 NNOAEECYWHHCMT-GOSISDBHSA-N 401.463 3.274 0 40 HGAB COC(=O)c1ccccc1NC(=O)CSc1nnc(COc2ccccc2C)o1 9198558 OBYOMBWBDFMOQX-UHFFFAOYSA-N 413.455 3.474 0 40 HGAB COc1ccc(OCc2nnc(SCC(=O)N3CCc4ccccc4C3)n2C)cc1 9263538 NCLDKUZPAQTBQO-UHFFFAOYSA-N 424.526 3.080 0 40 HGAB COC(=O)Cc1c(C)c2ccc3c(c2oc1=O)CN(c1ccc(F)cc1F)CO3 9304193 BYKFXLUECCGOMB-UHFFFAOYSA-N 401.365 3.452 0 40 HGAB COc1cc2c(cc1NC(=O)C(=O)NCc1c(C)nn(C)c1C)oc1ccccc12 9306761 MIZNNZKXVHJASU-UHFFFAOYSA-N 406.442 3.200 0 40 HGAB CNS(=O)(=O)c1cc(C(=O)N(Cc2ccccc2)Cc2ccccc2)ccc1OC 9426046 OKGGXMCJDHHXIC-UHFFFAOYSA-N 424.522 3.446 0 40 HGAB CC(=O)NCC(=O)N(C)C1(C(=O)NC(c2ccccc2)c2ccccc2)CCCCC1 9434597 XXXIMIDTPXLLSA-UHFFFAOYSA-N 421.541 3.190 0 40 HGAB Cc1cc(CNC(=O)C2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)ccc1F 10552655 PGPGQYOXBSFVTR-SDNWHVSQSA-N 416.518 3.463 0 40 HGAB Cc1ccc(C(=O)NCC(=O)NCC2(c3ccc4c(c3)OCCO4)CCCC2)cc1 10772233 OLMOUWCPVBMFBE-UHFFFAOYSA-N 408.498 3.124 0 40 HGAB COc1ccc(C(=O)N2CCC(NC(=O)c3ccccc3)CC2)cc1Br 10782077 GBMIQLGLJVFFRJ-UHFFFAOYSA-N 417.303 3.492 0 40 HGAB CCn1c(CN2CCCCCC2=O)nnc1S[C@@H](C)C(=O)Nc1ccccc1F 11381030 WMFUFKYZLJFVDE-AWEZNQCLSA-N 419.526 3.459 0 40 HGAB CCCOc1ccc(C(=O)N(C)CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)cc1 11919138 OANQCMAAMQODDY-INIZCTEOSA-N 409.486 3.311 0 40 HGAB CNS(=O)(=O)Cc1ccccc1CNC(=O)CCc1ccc(-c2ccccc2)o1 12892656 QFHFRXRPVJHNHP-UHFFFAOYSA-N 412.511 3.245 0 40 HGAB CN(CC(=O)Nc1c(Cl)cccc1Cl)S(=O)(=O)c1ccsc1C(=O)O 12916197 KVVQMRXPRDNAFU-UHFFFAOYSA-N 423.299 3.012 0 40 HGAB COc1ccc([C@@H](C)NC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCC4)cc1F 12999723 AHPAQXVHYGCCBI-LLVKDONJSA-N 415.490 3.431 0 40 HGAB O=C(COc1ccc2nc3n(c(=O)c2c1)CCCCC3)N1CCc2ccccc2C1 13729763 RWKZOAOWHURACK-UHFFFAOYSA-N 403.482 3.087 0 40 HGAB CCN1CCN(c2ccc(NC(=O)CC[C@H]3Cc4ccccc4NC3=O)cc2)CC1 14347788 FYEQHDBUBJAHOZ-IBGZPJMESA-N 406.530 3.358 0 40 HGAB COc1ccc(CC(=O)N2C[C@@H](c3ccccc3F)[C@@]3(CCCC(=O)N3)C2)cc1F 19559590 PXOAVHFRNPYMGM-GAJHUEQPSA-N 414.452 3.181 0 40 HGAB COc1ccccc1N1C[C@H](NC(=O)c2ccccc2CN2CCCCC2)CC1=O 19571033 FXVAIYGNHABSAI-LJQANCHMSA-N 407.514 3.216 0 40 HGAB CCN(CC)C(=O)CN1CCC[C@H](c2nc(N(C)C)ncc2-c2ccc(F)cc2)C1 19694674 GNDNBASDGTZEEG-SFHVURJKSA-N 413.541 3.397 0 40 HGAB Cc1nc([C@@H]2CCCCN2C(=O)Cc2ccccn2)ncc1C(=O)N1CCCCC1 19765727 XQNXALFCOZWNPX-FQEVSTJZSA-N 407.518 3.102 0 40 HGAB COc1ccc([C@@H](CNC(=O)COc2ccc(Cl)c(C)c2)N2CCOCC2)cc1 19901935 FGDDGNHPAWGRLV-OAQYLSRUSA-N 418.921 3.226 0 40 HGAB CCN(CC(=O)Nc1ccccc1OC)S(=O)(=O)c1ccc(OC)c(Cl)c1 19930189 LBNYWOOMXHVRCP-UHFFFAOYSA-N 412.895 3.007 0 40 HGAB COC(=O)[C@](NC(=O)c1ccco1)(Nc1ncc(Cl)cc1Cl)C(F)(F)F 20065125 FSHNMTCAOGPLIO-CYBMUJFWSA-N 412.151 3.255 0 40 HGAB CS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)cc1Cl 20492017 KTGSKLFFNWTWSI-UHFFFAOYSA-N 407.879 3.091 0 40 HGAB COc1ccc2[nH]c(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)c(C)c2c1 20548535 WVPWAZMTBOMVES-UHFFFAOYSA-N 407.470 3.172 0 40 HGAB CC(=O)c1cccc(NC(=O)C2CCN(c3ccc4nnc(C(C)C)n4n3)CC2)c1 20719212 CEBHAJQHARKHFP-UHFFFAOYSA-N 406.490 3.305 0 40 HGAB O=C(CN1CCN(c2ccc(F)cc2)CC1)Nc1nnc(C2CCCCC2)s1 23471697 FYUQDXQMAPTKOH-UHFFFAOYSA-N 403.527 3.486 0 40 HGAB O=c1c2c(-c3cccs3)csc2nc(CN2CCOCC2)n1C[C@@H]1CCCO1 23873124 XDZRFECMMYVCOW-AWEZNQCLSA-N 417.556 3.198 0 40 HGAB Cc1csc(CC(=O)N2CCN(Cc3cc(Cl)c4c(c3)OCCCO4)CC2)n1 23994732 ONSGRAYCYZPQRR-UHFFFAOYSA-N 421.950 3.153 0 40 HGAB Cc1ccc(CNC(=O)C2CCN(S(=O)(=O)Cc3ccccc3C)CC2)cc1 24611062 BDYMNKZQCHDXFB-UHFFFAOYSA-N 400.544 3.162 0 40 HGAB COC(=O)C[C@H](NC(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1)c1ccc(C)cc1 25601632 MMOYPMRVTPHVSF-VQTJNVASSA-N 410.470 3.147 0 40 HGAB Cc1ccc(-n2ncc([C@H](C)NC(=O)c3cccc(NS(C)(=O)=O)c3)c2C)cc1 29282364 IOKDJPKFNXWALG-HNNXBMFYSA-N 412.515 3.352 0 40 HGAB O[C@H](COCc1ccc(Cl)cc1)Cn1nnc(-c2ccc(Br)cc2)n1 31561360 ZROAGVNEWHHHOJ-INIZCTEOSA-N 423.698 3.334 0 40 HGAB Cc1ccc(N2C(SCCOc3ccccc3)=N[C@@H]3CS(=O)(=O)C[C@@H]32)cc1C 32640628 MRBFRXGEWPVJCO-UXHICEINSA-N 416.568 3.457 0 40 HGAB COC(=O)c1ccc2c(=O)n(C[C@H]3CCCO3)c(SCC(F)(F)F)nc2c1 32778363 QKNCOLVORYUZJO-LLVKDONJSA-N 402.394 3.017 0 40 HGAB O=C(CCNS(=O)(=O)c1cccs1)N[C@@H]1CCSc2ccc(Cl)cc21 32837295 MYZZTPLYQVZNRK-CYBMUJFWSA-N 416.977 3.423 0 40 HGAB CCCOc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1n[nH]cc1C(=O)OCC 32895081 LVCFYSRZWRZDHS-UHFFFAOYSA-N 421.397 3.195 0 40 HGAB O=C1C[C@@H]2CS(=O)(=O)C[C@@H]2N1c1nc2ccc(Oc3ccccc3)cc2s1 32912451 YGJMNRWXEAWKFR-WBMJQRKESA-N 400.481 3.239 0 40 HGAB CCCCCCNC(=O)CCc1nc2cc(S(=O)(=O)N(CC)CC)ccc2n1C 36333225 QNPCPTVLBFVZTK-UHFFFAOYSA-N 422.595 3.233 0 40 HGAB COc1cc(OC)c(NC(=O)C[C@H]2NC(=O)c3ccccc3N=C2O)cc1Cl 36589955 GZRCLDSIPPNZOK-CQSZACIVSA-N 403.822 3.086 0 40 HGAB Cc1cc(C(=O)N[C@@H](C)Cc2cn(C)nc2C)c2c(C)nn(Cc3ccccc3)c2n1 36614344 OUVBAFNCUPIEGC-HNNXBMFYSA-N 416.529 3.499 0 40 HGAB COc1ccc(NC(=O)CCS(=O)(=O)c2ccccc2)cc1N1CCCCC1=O 38677709 VYDGJEZXMQDYMU-UHFFFAOYSA-N 416.499 3.015 0 40 HGAB Cc1ccccc1CN1CCC(C(=O)NCc2ccc(CN3CCOCC3)cc2)CC1 38831203 DVHWBNLUGGFTOI-UHFFFAOYSA-N 421.585 3.356 0 40 HGAB O=C(/C=C/c1c(Cl)cccc1Cl)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 40160467 YPFOEOBUVVHETM-AFJNRPGYSA-N 418.342 3.201 0 40 HGAB COc1ccc([C@@H](NC(=O)[C@H](NC(=O)c2ccccc2)C(C)C)c2nccn2C)cc1 48341213 YOJKVFAGYCLAIY-NHCUHLMSSA-N 420.513 3.089 0 40 HGAB Cc1ccccc1CSCCNC(=O)[C@@H](C)N(c1ccccc1)S(C)(=O)=O 57473540 QYBWMVVCMHNXMB-QGZVFWFLSA-N 406.573 3.199 0 40 HGAB Cc1cc(C)cc(-n2c(=O)c3sccc3n(CC(=O)N(C)c3ccccc3)c2=O)c1 57492197 LASLZBAHGAZZCL-UHFFFAOYSA-N 419.506 3.494 0 40 HGAB Cc1ccc(C)c(-n2c(=O)c3sccc3n(CC(=O)N(C)c3ccccc3)c2=O)c1 57492621 MXPQDGMDIFIXQJ-UHFFFAOYSA-N 419.506 3.494 0 40 HGAB COC(=O)CCOc1ccc(S(=O)(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 58180786 DGOKPRTVBFACIS-UHFFFAOYSA-N 419.377 3.328 0 40 HGAB Cc1cc(OCC(=O)N(C)c2ccccc2)nc(N2CCN(c3ccccc3)CC2)n1 65101767 KOLVBQGFCFPSJQ-UHFFFAOYSA-N 417.513 3.153 0 40 HGAB C[C@H]1CN(Cc2ccccc2CNC(=O)c2ccc(-c3ccco3)[nH]c2=O)C[C@@H](C)O1 70037798 SRUSDMRZISTUJL-CALCHBBNSA-N 421.497 3.174 0 40 HGAB CCc1cc(C(=O)N[C@@H]2CC(C)(C)Cc3nc(N4C[C@@H](C)O[C@H](C)C4)ncc32)no1 72397090 WEKXXUKUSISKSG-HBUWYVDXSA-N 413.522 3.084 0 40 HGAB COC(=O)c1nc(NC(=O)C[C@H]2NC(=O)c3ccccc32)sc1-c1ccccc1 79474139 PZXZEDLVFCHJGK-OAHLLOKOSA-N 407.451 3.410 0 40 HGAB O=C(c1ccc2nsnc2c1)N1[C@H]2CC[C@@H]1CC(S(=O)(=O)c1ccccc1)C2 96104149 VRTMVKRBNOOQDU-FKEKPDDDSA-N 413.524 3.301 0 40 HGAB CC(C)c1nc2cc(NC(=O)CC[C@@H]3NC(=O)c4ccccc4NC3=O)ccc2n1C 96116163 OICZKRNKGAHOCN-KRWDZBQOSA-N 419.485 3.166 0 40 HGAB biogenic O=C(Cn1c(=O)oc2ccccc21)NCCn1nc(-c2cccs2)cc1C1CC1 96121610 GNDHLZRJZHSLNK-UHFFFAOYSA-N 408.483 3.213 0 40 HGAB COc1ccc([C@@H](C)NC(=O)[C@@H](C)N(c2ccc(F)c(F)c2)S(C)(=O)=O)cc1 113956657 BFZMCNRFFQGLAX-CHWSQXEVSA-N 412.458 3.005 0 40 HGAB Cc1ccccc1CNC(=O)[C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 216420289 KWUNEYAGYWAKFM-QFIPXVFZSA-N 414.571 3.286 0 40 HGAB C[C@@H](C(=O)Nc1cccc(Br)c1)N(c1cccc(F)c1)S(C)(=O)=O 220465247 HQVGIODTKDJAKR-NSHDSACASA-N 415.284 3.381 0 40 HGAB CNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CSCc1ccc(OC)cc1 222400456 KRONUZCDDRZDLE-QGZVFWFLSA-N 400.544 3.400 0 40 HGAB COc1cccc(N([C@@H](C)C(=O)NCc2ccc3ccccc3c2)S(C)(=O)=O)c1 222805926 UIRIFIBRRIGGHW-INIZCTEOSA-N 412.511 3.319 0 40 HGAB C[C@@H](C(=O)NCc1cccnc1)N(Cc1ccc(F)cc1)C(=O)COc1ccccc1 222929554 OSUZZKZOYLSXSK-SFHVURJKSA-N 421.472 3.333 0 40 HGAB CN(C)CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccncc1 223215481 DQHAHPRVTWLOBC-RTWAWAEBSA-N 406.559 3.192 0 40 HGAB CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1Cc1ccco1 223647177 SREDBERMGJLNPJ-UXHICEINSA-N 410.499 3.060 0 40 HGAB CC(C)(C)c1ccccc1OCCNC(=O)CN(c1ccc(F)cc1)S(C)(=O)=O 223679660 CPFAXUQSWWKBTQ-UHFFFAOYSA-N 422.522 3.084 0 40 HGAB CCOc1ccc(-c2noc(CNC(=O)c3cccc(N4CCCC4=O)c3)n2)cc1 224595129 HSLJDQZSKIPOBX-UHFFFAOYSA-N 406.442 3.192 0 40 HGAB Cc1cc(C)c(N(CCCC(=O)NCCOc2ccccc2)S(C)(=O)=O)c(C)c1 224823149 LOXFPPYOWMWQMX-UHFFFAOYSA-N 418.559 3.353 0 40 HGAB COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc[nH]2)cc1C 225260923 STFFNLZAOJHHJV-LEWJYISDSA-N 421.526 3.480 0 40 HGAB CC(C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CCc1ccc2c(c1)OCO2 225697497 JCLXPQSSCKHWCR-GOSISDBHSA-N 410.514 3.332 0 40 HGAB COc1ccc(NC(=O)[C@]2(C)CCCN(c3ccccc3)S2(=O)=O)cc1OC 225951104 FYNPPQDVTWLHFT-FQEVSTJZSA-N 404.488 3.031 0 40 HGAB CCOc1ccccc1N(CC(=O)N[C@H](C)C(C)C)S(=O)(=O)c1ccccc1 260897565 NBJKDENEDXGZLY-QGZVFWFLSA-N 404.532 3.441 0 40 HGAB CCOc1ccc(N(CC(=O)N[C@H](C)c2ccc3c(c2)CCC3)S(C)(=O)=O)cc1 260917334 CZWAZLQJIFXUMO-MRXNPFEDSA-N 416.543 3.217 0 40 HGAB Cc1cccc(CN2C[C@H](c3cn(C(C)C)cn3)[C@@]3(CCN(CC4CC4)C3=O)C2)n1 306136946 QHECZGXJEKIDMM-ZJSXRUAMSA-N 407.562 3.396 0 40 HGAB CC(C)n1nccc1[C@@H]1CN(C(=O)C2CC2)C[C@]12CCCN(Cc1cccnc1)C2=O 306139397 SWFVXRKRKZKAHQ-GBXCKJPGSA-N 421.545 3.004 0 40 HGAB CC(C)(C)c1ccc(=O)n(CC2CCN(C(=O)c3cnc4ccccc4n3)CC2)n1 585500037 XSDQTTBWXXAPDA-UHFFFAOYSA-N 405.502 3.036 0 40 HGAB Cc1onc(-c2ccccc2Cl)c1C(=O)N1CC2(CC(=O)N(CC3CC3)O2)C1 1549166849 JNXDMADZHVWHSH-UHFFFAOYSA-N 401.850 3.072 0 40 HGAB Cc1cc(C)n(-c2cc(OCC3CCN(c4cc(C5CC5)ncn4)CC3)ncn2)n1 1775970266 JZFOYILQAFTVIC-UHFFFAOYSA-N 405.506 3.242 0 40 HGAB COc1ccc(CCC(=O)N2C[C@@H]3CN(c4ccc(C(C)(C)C)nn4)C[C@@H]3C2)cc1 1888888289 UESFKYRBXXYYHY-KDURUIRLSA-N 408.546 3.310 0 40 HGAB COc1ccc(CN2CCO[C@@]3(CCCCN(C(C)C)C3=O)C2)cc1OC(C)C 2037984319 XLLDDIXPBUXJSD-QHCPKHFHSA-N 404.551 3.474 0 40 HGAB O=C(CN1CCC[C@@]2(CCCN(C(=O)Nc3ccc(F)c(F)c3)C2)C1)N1CCCC1 2056223850 HQIAJNUXDJFLEI-JOCHJYFZSA-N 420.504 3.297 0 40 HGAB C[C@@H]1CN(C(=O)CN2CCC(c3ccc4cc(Cl)cnc4n3)CC2)C[C@@H](C)O1 2086894003 FPQRFLOENSBTHT-HUUCEWRRSA-N 402.926 3.098 0 40 HGAB CNC(=S)N(Cc1ccc2c(c1)OCO2)Cc1cc2cc(C)cc(C)c2[nH]c1=O 931525 OLZMUGLRBDDOFL-UHFFFAOYSA-N 409.511 3.380 0 40 HGAB O=C(CN1C(=O)S/C(=C/c2ccccc2)C1=O)N1CCN(c2ccccc2)CC1 981244 QKEYJTVJXXJUQO-XDJHFCHBSA-N 407.495 3.072 0 40 HGAB COC(=O)[C@@H](C)OC(=O)c1ccc(Oc2nc(NC(C)C)nc(NC(C)C)n2)cc1 985038 WDCSFGLBOAFPHV-CYBMUJFWSA-N 417.466 3.023 0 40 HGAB NC(=O)CSc1nnc(COc2cccc(C(F)(F)F)c2)n1-c1ccccc1 1396267 XDDRRTIAXYWTOO-UHFFFAOYSA-N 408.405 3.443 0 40 HGAB COC(=O)COc1cccc2c(=O)n(CC(=O)Nc3c(C)cc(C)cc3C)ccc12 2712378 XDGNZTVWZLEPAS-UHFFFAOYSA-N 408.454 3.117 0 40 HGAB Cc1ccccc1-n1c(SCC(=O)N2C[C@H](C)O[C@@H](C)C2)nc2ccccc2c1=O 3237757 UTBWMXIKTCZLNL-IRXDYDNUSA-N 423.538 3.422 0 40 HGAB COC(=O)c1ccccc1NC(=O)CNc1cc(Cl)ccc1N1CCOCC1 3321757 PLLUDWKUWZMKSY-UHFFFAOYSA-N 403.866 3.014 0 40 HGAB CNC(=O)NC(=O)CSc1nnc(-c2ccccc2Cl)n1Cc1ccccc1 3516928 PHIMMZWLKBSBMA-UHFFFAOYSA-N 415.906 3.195 0 40 HGAB CCC(=O)N1N=C(c2cccc(NS(C)(=O)=O)c2)C[C@@H]1c1ccccc1OC 4036309 RBAANQATZWEKKP-GOSISDBHSA-N 401.488 3.154 0 40 HGAB CC(=O)N1CCc2c(sc(NC(=O)/C=C/c3ccccc3Cl)c2C(N)=O)C1 4275153 PQNVYRHJNOIWOG-VOTSOKGWSA-N 403.891 3.057 0 40 HGAB CN(C)CCN(C(=O)[C@H]1COc2ccccc2O1)c1nc2ccc(F)cc2s1 4359173 HSJSCVGBOPGMFX-QGZVFWFLSA-N 401.463 3.170 0 40 HGAB CCOc1cc(C)c(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)cc1OCC 5007044 ZNGGRHPRNIUPPW-LDADJPATSA-N 418.515 3.451 0 40 HGAB Cc1cccc(S(=O)(=O)N2CN(C[C@@H]3CCCO3)c3nc4ccccc4nc32)c1 5340839 YBPRXYYVZPIKDL-INIZCTEOSA-N 410.499 3.090 0 40 HGAB COc1ccc(S(=O)(=O)N2CCc3cc(OC)c(OC)cc3[C@H]2C)cc1OC 5428759 VZUNUSOCSJAGKA-CYBMUJFWSA-N 407.488 3.029 0 40 HGAB Cc1ccc(CN(C(=O)[C@@H](C)Oc2cccc(C)c2C)[C@H]2CCS(=O)(=O)C2)o1 6810341 TZDWKWLIMFOUPN-MSOLQXFVSA-N 405.516 3.188 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nc4c(s3)CCCC4)CC2)cc1 7599953 WWUKATAPOIJVFQ-UHFFFAOYSA-N 419.572 3.370 0 40 HGAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)OC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O 7807192 HGABNJDRKFXVND-KGLIPLIRSA-N 404.422 3.275 0 40 HGAB COc1cc(CNS(=O)(=O)c2cc(Cl)ccc2Cl)cc(OC)c1OC 8059614 SIHIMUOIPDVWBY-UHFFFAOYSA-N 406.287 3.498 0 40 HGAB CC(=O)c1ccc(NC(=O)CN(C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 8988528 NHWIKWZJFWCKCP-UHFFFAOYSA-N 423.391 3.297 0 40 HGAB O=C(CSc1nnc(NC[C@@H]2CCCO2)s1)c1ccc(N2CCCC2=O)cc1 9483017 VRCILSGGZDFOHK-HNNXBMFYSA-N 418.544 3.231 0 40 HGAB c1ccc(Cn2c(SCc3nnc(-c4ccco4)o3)nnc2N2CCOCC2)cc1 9498504 RDHZRDULFIUYFX-UHFFFAOYSA-N 424.486 3.098 0 40 HGAB O=C(CN1CCC[C@H]1c1cccs1)Nc1cc2[nH]c(=O)[nH]c2cc1Br 9671900 ALBGMNPMPDEALA-AWEZNQCLSA-N 421.320 3.456 0 40 HGAB COc1ccc(N([C@@H](C)C(=O)N[C@@H](C)c2ccccc2)S(C)(=O)=O)cc1Cl 10332289 DJXNUGBVTGQMMH-KBPBESRZSA-N 410.923 3.381 0 40 HGAB O=C(NCCNc1ccc(Nc2cccnc2)nn1)c1ccc(C(F)(F)F)cc1 11796952 OLTLOTVNLNQPHJ-UHFFFAOYSA-N 402.380 3.476 0 40 HGAB COc1ccccc1N1CCN(c2c(C)c(C)nc3cc(-c4nccn4C)nn23)CC1 12087629 IXFBOCYUAKZAEY-UHFFFAOYSA-N 417.517 3.082 0 40 HGAB Cc1cc2nc([C@@H]3CCCN3C(=O)Cc3ccc(-n4cnnn4)cc3)[nH]c2cc1C 12157512 SIFIBJXPZIXZPI-FQEVSTJZSA-N 401.474 3.062 0 40 HGAB CCNC(=O)c1cccc(S(=O)(=O)Nc2ccc(OC)c(Br)c2)c1 12605212 HWDXFMABSUZYHB-UHFFFAOYSA-N 413.293 3.008 0 40 HGAB C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1)c1ccccc1 12821585 BWNQUOAPEUCWMH-CQSZACIVSA-N 408.470 3.243 0 40 HGAB Cc1c(CCC(=O)NCCCC(=O)O)c(=O)oc2cc3c(cc12)CCC(C)(C)O3 12900505 UBAKLUWDBBFINB-UHFFFAOYSA-N 401.459 3.119 0 40 HGAB biogenic O=C(NC1CCN(C(=O)NCc2ccccc2OC(F)F)CC1)c1ccccc1 12906065 OADMMLCCYXEVNQ-UHFFFAOYSA-N 403.429 3.392 0 40 HGAB CN(Cc1ccc(Br)s1)S(=O)(=O)c1ccc2oc(=O)ccc2c1 12923739 XAIFEVYMNGKNEV-UHFFFAOYSA-N 414.302 3.438 0 40 HGAB CC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)N(C)[C@H]2CCCc3ccccc32)cc1 12947831 NGUUGNWMCRHJHK-NRFANRHFSA-N 414.527 3.046 0 40 HGAB O=C(c1ccc(CN2CCCCC2)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 13682437 JTFYPXCICZRQHL-UHFFFAOYSA-N 421.541 3.359 0 40 HGAB Cc1ccc(S(=O)(=O)N(CC(=O)NCCCOC(C)C)c2cccc(C)c2)cc1 14412265 TYDSKDJAUIPHSV-UHFFFAOYSA-N 418.559 3.430 0 40 HGAB CN(C)S(=O)(=O)c1ccc(NC(=O)c2cc(Br)ccc2F)cc1 15917946 NSVHYPXJCJBGNY-UHFFFAOYSA-N 401.257 3.091 0 40 HGAB CC(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCN(C(=O)[C@H]4CCCO4)C3)cc2N1 19451320 XIEUEJSGLYGBGP-OCVGTWLNSA-N 400.445 3.322 0 40 HGAB CC(C)c1cc(C(=O)N[C@H](Cc2ccccc2)c2ccc3c(c2)OCCO3)nc(=O)[nH]1 19452478 GZESUDMIXCLKFO-LJQANCHMSA-N 419.481 3.378 0 40 HGAB Cn1cc2c(n1)[C@@H](C(=O)Nc1nccs1)CN(Cc1ccc3c(c1)CC(C)(C)O3)C2 19701389 LTNYMDVJKXFRKE-KRWDZBQOSA-N 423.542 3.328 0 40 HGAB NC(=O)c1sc2ncccc2c1[C@@H]1CN(C(=O)c2nccc3ccccc23)CCO1 19702796 XIFLRQNDDFXBNV-INIZCTEOSA-N 418.478 3.157 0 40 HGAB CCn1nc(C(=O)N[C@H](C)Cc2cn(C)c3ccc(OC)cc23)c2ccccc2c1=O 19717064 WAANQEAASSYEKH-OAHLLOKOSA-N 418.497 3.278 0 40 HGAB COc1cc2c(cc1OC)C(=O)[C@H](S(=O)(=O)c1ccc(Br)cc1)C2 20725072 ZOGRZAKAJBITJN-MRXNPFEDSA-N 411.273 3.048 0 40 HGAB CCOC(=O)[C@@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@@H]1c1ccccc1C 20802294 OTUGDHOEYBEFJI-VQTJNVASSA-N 407.470 3.106 0 40 HGAB CN(C(=O)CN1CCN(Cc2ccc3c(c2)OCO3)CC1)[C@H]1CCCc2ccccc21 21972736 GHULAZDUURVCAT-QFIPXVFZSA-N 421.541 3.069 0 40 HGAB CC[C@@H](NC(=O)CN(c1ccccc1C)S(C)(=O)=O)c1ccc(OC)c(OC)c1 22327165 WYNOURWPODMXOZ-QGZVFWFLSA-N 420.531 3.046 0 40 HGAB COc1ccc(NC(=O)CN(c2ccccc2C(C)C)S(C)(=O)=O)cc1OC 22382677 AHBWRGJFNCYDKU-UHFFFAOYSA-N 406.504 3.232 0 40 HGAB O=C(C1CCN(c2nc3ccccc3[nH]c2=O)CC1)N1CC=C(c2ccccc2)CC1 22580869 QKNNIRHPIYWOST-UHFFFAOYSA-N 414.509 3.455 0 40 HGAB NC(=O)c1ccc(N2CCCC2)c(NC(=O)c2ccc(N3CCCCC3=O)cc2)c1 22602826 SQERNNRHIBZRPS-UHFFFAOYSA-N 406.486 3.155 0 40 HGAB O=S(=O)(NC[C@H](c1ccsc1)N1CCOCC1)c1ccc2ccccc2c1 22767284 IRPMHPVBJJCPLZ-HXUWFJFHSA-N 402.541 3.253 0 40 HGAB COc1cc(-c2noc(CN3C(=O)[C@@H](C)Oc4ccccc43)n2)cc(OC)c1OC 23126997 NGMMZXGXEOJSFW-GFCCVEGCSA-N 411.414 3.077 0 40 HGAB Cc1nc2sccn2c1-c1nnc(SCC(=O)N2CCc3ccccc32)n1C 23141445 XKJMPJLTXGRAGU-UHFFFAOYSA-N 410.528 3.181 0 40 HGAB O=C([C@@H](Cc1ccccc1)n1cnnn1)N1CCC[C@@H](c2nc3ccccc3o2)C1 27381355 UAYQDIHWCXWNBS-IEBWSBKVSA-N 402.458 3.004 0 40 HGAB O=c1[nH]c(=O)n(Cc2ccccc2)c2nc(-c3ccccn3)n(Cc3ccccc3)c12 32668255 LLUMZJVEMHWSTR-UHFFFAOYSA-N 409.449 3.045 0 40 HGAB CCCn1c(=O)n(CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)c2ccccc21 32824184 ACKUPGYLMZCFQQ-GOSISDBHSA-N 421.497 3.348 0 40 HGAB C[C@H](Sc1ncnc2c1cnn2-c1ccccc1)C(=O)NC(=O)NC1CCCCC1 32911214 UXLNHHKUJZDWBH-AWEZNQCLSA-N 424.530 3.455 0 40 HGAB CCCN(Cc1nnc(-c2ccccc2)o1)S(=O)(=O)c1c(C)nn(CC)c1C 36614803 QKJOGYRFQOTOEB-UHFFFAOYSA-N 403.508 3.171 0 40 HGAB Cc1cc(Cc2cnc(NC(=O)c3ccc(=O)n(C)n3)s2)ccc1Br 44632243 WNVPHXDDCYAJHY-UHFFFAOYSA-N 419.304 3.151 0 40 HGAB CCc1cccc(NC(=O)Cn2nc3cc(C)nc(Nc4ccccc4C)n3c2=O)c1 49410627 GZVIWCUVYWJFSG-UHFFFAOYSA-N 416.485 3.453 0 40 HGAB Cc1ccc(NC(=O)Cn2ncn3nc(-c4cc(C)ccc4C)cc3c2=O)c(C)c1 51317021 OMDWSGBCLKRFMH-UHFFFAOYSA-N 401.470 3.430 0 40 HGAB COc1cc(/C=C/C(=O)Nc2nnc(-c3csc(C)n3)o2)cc(OC)c1OC 56904155 NOLRCDXOCXUCBA-AATRIKPKSA-N 402.432 3.179 0 40 HGAB CCCN(CCC)C(=O)Cn1c(=O)n(Cc2ccccc2F)c(=O)c2sccc21 57426730 BKRMBRKTJRDWAT-UHFFFAOYSA-N 417.506 3.061 0 40 HGAB CCOC(=O)C1=C(CN2CCc3ccccc3C2)NC(=O)N[C@H]1c1ccc(F)cc1 57478271 QXOHWUKATHIKLG-NRFANRHFSA-N 409.461 3.055 0 40 HGAB COc1ccc(NC(=O)[C@H](C)NCC2(c3ccc4c(c3)OCO4)CCOCC2)cc1 60091007 NWGNSTNWUDRDGU-INIZCTEOSA-N 412.486 3.089 0 40 HGAB COC(=O)c1c(NC(=O)CN2C(=O)CSc3ccccc32)sc2c1CCC2 60915882 PJKKUVDQWBCCDQ-UHFFFAOYSA-N 402.497 3.101 0 40 HGAB Cc1ccc(NC(=O)Cn2c(C)nc3c(-c4ccccn4)nsc3c2=O)c(C)c1 67350131 NXQDOHNJIRIUSZ-UHFFFAOYSA-N 405.483 3.479 0 40 HGAB CCc1nc(NC(=O)c2cccc(N3NC(=O)[C@@H]4CC=CC[C@@H]4C3=O)c2)sc1C 69928852 VLYSEOGMHVTSKB-CVEARBPZSA-N 410.499 3.226 0 40 HGAB O=C(Nc1nc2c(s1)CN(S(=O)(=O)Cc1cccc(F)c1)CC2)c1ccco1 70638618 TUCUXDZGJPDNBY-UHFFFAOYSA-N 421.475 3.016 0 40 HGAB C[C@@H]1CC=CC[C@@H]1COC(=O)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1 71826312 UUNWPPXBDOEBAS-GDBMZVCRSA-N 412.939 3.281 0 40 HGAB CC[C@H](C)c1ccccc1NC(=O)[C@H](C)OC(=O)c1cc(=O)c2c(C)nn(C)c2[nH]1 72312533 GPAJIFLDZGKZDF-JSGCOSHPSA-N 410.474 3.268 0 40 HGAB Cc1nn(C)cc1C(=O)N1CCC2(CC1)C[C@@]1(CO2)Nc2ccccc2-n2cccc21 72327263 DCMMQWURPCTELH-DEOSSOPVSA-N 417.513 3.235 0 40 HGAB COc1ccc(NC(=O)CN2CCC(c3ccc(Nc4ncccn4)cn3)CC2)cc1 72374175 YSMSPQZHEKENEH-UHFFFAOYSA-N 418.501 3.442 0 40 HGAB COC(=O)c1cc(S(=O)(=O)Nc2c(C)cccc2O)ccc1Br 79047611 DKJJSIRKOCPHEK-UHFFFAOYSA-N 400.250 3.051 0 40 HGAB CC(C)c1ccc(S(=O)(=O)NC[C@@H]2CC(=O)N(CCc3ccccc3)C2)cc1 79099833 APGAWLIZWXAPKD-IBGZPJMESA-N 400.544 3.180 0 40 HGAB O=C(NCc1nn(C2CCCC2)c(=O)c2ccccc12)c1cc(-c2ccco2)n[nH]1 90530740 GWBHTIMRCBAFNB-UHFFFAOYSA-N 403.442 3.425 0 40 HGAB O=C1CCCN1c1ccc(Cn2cccc(-c3nc(-c4ccncc4)no3)c2=O)cc1 90592176 SBLRNKLQJIHCSK-UHFFFAOYSA-N 413.437 3.135 0 40 HGAB O=C(N[C@H]1CCN(c2ccccc2Br)C1)c1cccc(-n2ccnn2)c1 95439513 HKWKHWJDVSCRHG-HNNXBMFYSA-N 412.291 3.039 0 40 HGAB CN(C)[C@H]1CCN(C(=O)c2cnc(-c3noc4cc(N5CCCC5)ccc34)s2)C1 96154562 LLPKYXBEAOCCON-HNNXBMFYSA-N 411.531 3.328 0 40 HGAB Cc1nc(-c2cccc(F)c2)nc2c1CN(S(=O)(=O)c1ccc(F)cc1)CC2 96253948 WRDYYOIFGMOFSD-UHFFFAOYSA-N 401.438 3.477 0 40 HGAB CC(C)OC(=O)[C@H]1C(=O)C[C@@](C)(O)[C@H](C(=O)OC(C)C)[C@@H]1c1ccc(Cl)cc1 101176147 CTPJHIYBLCRVGW-OEMYIYORSA-N 410.894 3.283 0 40 HGAB CC[C@H](C(=O)N[C@@H](C)COc1ccccc1C)N(c1ccc(F)cc1)S(C)(=O)=O 219115698 UMUBLIVCSXMDGS-QFBILLFUSA-N 422.522 3.262 0 40 HGAB CC[C@H](C(=O)NCCc1ccccc1)N(c1cc(Cl)ccc1OC)S(C)(=O)=O 220753391 CSQQXSWRUUNTOH-QGZVFWFLSA-N 424.950 3.252 0 40 HGAB CC[C@@H](C(=O)NCCOc1cccc(C)c1C)N(c1ccc(C)cc1)S(C)(=O)=O 223938669 OBBFWYJLIIUZCW-FQEVSTJZSA-N 418.559 3.352 0 40 HGAB CC[C@@H](NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(C)c(C)c1 225563547 PEKJKEWBFNCAJW-OAQYLSRUSA-N 416.543 3.205 0 40 HGAB CCOC(=O)[C@]1(N)[C@H](c2ccc(CC)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 242495920 GSQPJTPCJRDGDB-GGPKGHCWSA-N 407.919 3.103 0 40 HGAB Cc1nn(C)cc1S(=O)(=O)N1CCCC[C@H]1c1ncc(Cc2ccc(F)cc2)o1 257331008 XQZIVBHXKGOQPH-SFHVURJKSA-N 418.494 3.362 0 40 HGAB CCOc1ccc(NC(=O)[C@@]23C[C@H]2CN(c2ccc(Cl)cc2)S3(=O)=O)cc1 260828938 FXYUSNDHUGKKAX-ORAYPTAESA-N 406.891 3.286 0 40 HGAB O=C(O)CN1C(=O)N/C(=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)C1=O 408594051 RSZOGCJQEDBFOD-RQZCQDPDSA-N 409.829 3.320 0 40 HGAB CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(OC)c(NC(=O)CC)c2)cc1 408699526 XONHRMPCBQHADJ-UHFFFAOYSA-N 406.460 3.021 0 40 HGAB CCOc1cc(/C=C2\SC(=O)N(CC(=O)N(CC)CC)C2=O)cc(Cl)c1O 409208608 CUTVJPQNWZKGEL-ZROIWOOFSA-N 412.895 3.349 0 40 HGAB COc1ccc(C(=O)N2[C@H](C(=O)OC(C)(C)C)C[C@@H]3CCCC[C@@H]32)cc1OCCO 537360738 GMTJEVUCDJDIQR-SZMVWBNQSA-N 419.518 3.181 0 40 HGAB CC(C)S(=O)(=O)c1ccc(CC(=O)NC[C@@H](c2ccsc2)n2cccn2)cc1 575612416 ACEVDTVSQQQFQD-IBGZPJMESA-N 417.556 3.075 0 40 HGAB Cc1ccc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCO3)cc1NS(C)(=O)=O 590577116 MCLJVEIURNCRFP-KRWDZBQOSA-N 402.472 3.073 0 40 HGAB O=C(CSc1nc2ccccc2o1)N1CCN(c2ccc(C(F)(F)F)nn2)CC1 1888903814 LULMVVKRBSMMGY-UHFFFAOYSA-N 423.420 3.078 0 40 HGAB Cc1oncc1C(=O)N1CCC(c2ccc3cc(-c4cncnc4)cnc3n2)CC1 1889029849 OENXCQUQPNQWPR-UHFFFAOYSA-N 400.442 3.403 0 40 HGAB O=c1oc2c3c4c(cc2c(C(F)(F)F)c1CCN1CCOCC1)CCCN4CCC3 2278505 JOVJKMYFWUCQGB-UHFFFAOYSA-N 422.447 3.385 0 40 HGAB CCc1nnc(NC(=O)c2ccc(S(=O)(=O)N(CC(C)C)CC(C)C)cc2)o1 2720173 ZTQOJVOHGPVCBR-UHFFFAOYSA-N 408.524 3.187 0 40 HGAB CCC(=O)c1ccc(OCC(=O)Nc2ccc(S(=O)(=O)N(CC)CC)cc2)cc1 3436722 NTUVTORLIXZMTA-UHFFFAOYSA-N 418.515 3.327 0 40 HGAB Cc1cccc2cc(CN(CCN(C)C)C(=S)NCc3ccccc3)c(=O)[nH]c12 4133473 NSIFGJXRRISVBU-UHFFFAOYSA-N 408.571 3.275 0 40 HGAB CCOC(=O)c1ccc(N2CCN(C(C)=O)CC2)c(NC(=O)c2ccc(C)c(C)c2)c1 4712225 MWGUGDMDYFOYKZ-UHFFFAOYSA-N 423.513 3.401 0 40 HGAB CCCn1c(O)c(C(=O)NCCc2ccc(OC)c(OC)c2)c(=O)c2ccccc21 4844457 JOUDCIPRENBXTE-UHFFFAOYSA-N 410.470 3.107 0 40 HGAB C[C@@H](CCc1ccccc1)NC(=O)[C@H](C)Sc1nnc(-c2cccc(F)c2)n1N 4876709 RJOMWWGCTFDWFH-GJZGRUSLSA-N 413.522 3.416 0 40 HGAB C[C@H](Oc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl)C(=O)NCCCO 5204926 QNWBFBVTDVYWLC-ZDUSSCGKSA-N 401.846 3.379 0 40 HGAB CC(C)NC(=O)COc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2)cc1Cl 6256316 BCSMABHLMLREDW-AWEZNQCLSA-N 410.923 3.283 0 40 HGAB COc1ccc(Cl)cc1N1C[C@H](C(=O)OCC(=O)Nc2ccccc2C)CC1=O 7537116 VEVPDSYNBCZPAE-CQSZACIVSA-N 416.861 3.192 0 40 HGAB COC(=O)c1ccccc1NC(=O)Cn1c(=O)nc(-c2ccccc2)c2ccccc21 7616030 GCASPDOCOIWAQI-UHFFFAOYSA-N 413.433 3.489 0 40 HGAB Cc1ccc(C(=O)Nc2ccc3ccccc3c2)cc1S(=O)(=O)N1CCOCC1 7654235 PYJZFNDHZSPGND-UHFFFAOYSA-N 410.495 3.421 0 40 HGAB CCN(CC)S(=O)(=O)c1cc(NCC(=O)N2c3ccccc3C[C@H]2C)ccc1C 7973261 UBOLBHRONSNHKF-QGZVFWFLSA-N 415.559 3.415 0 40 HGAB O=C(CN1CCC[C@H]1c1cccs1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 8036343 MYDVYHQJMUZEIZ-SFHVURJKSA-N 419.572 3.308 0 40 HGAB O=C(NCc1ccccn1)C1CCN(C(=O)c2ccc(Br)cc2)CC1 8073279 GOZDJWLIWIVTJO-UHFFFAOYSA-N 402.292 3.013 0 40 HGAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N(C)Cc2ccc3c(c2)OCCO3)c1C 8225981 BZEDARAIUACXIS-OAHLLOKOSA-N 400.475 3.283 0 40 HGAB CC(=O)c1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3cc(C)ccc3C)C2)cc1 8433777 SSBKVWFLAFXATP-SFHVURJKSA-N 408.454 3.041 0 40 HGAB Cc1nnc(NC(=O)CCC(=O)OCC(=O)c2ccc(Cl)cc2Cl)s1 8474370 ONZYSWNREJIJAS-UHFFFAOYSA-N 402.259 3.298 0 40 HGAB Cc1nn(-c2ccccc2)c2[nH]c(=O)c(CNc3ccc(N4CCOCC4)cc3)cc12 8578938 WTILLXNBZYCXMS-UHFFFAOYSA-N 415.497 3.471 0 40 HGAB COCCCNS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)c(F)c1 8810022 IHMFMJZCRAKGSH-UHFFFAOYSA-N 400.859 3.046 0 40 HGAB CCSc1nc(NC(C)C)c2cnn(CCNC(=O)Cc3cccs3)c2n1 8948672 GIIIRKHKPTXZJS-UHFFFAOYSA-N 404.565 3.179 0 40 HGAB O=C(CCNS(=O)(=O)c1cccs1)N1CCC[C@@H]1c1nc2ccccc2s1 9633734 BJYVXXZRSWWPEB-CQSZACIVSA-N 421.569 3.390 0 40 HGAB CCN(CC(=O)NCc1cccs1)C(=O)CSc1ccc(C(F)(F)F)cn1 10398978 TXQBGCJWAVUKCI-UHFFFAOYSA-N 417.478 3.419 0 40 HGAB CCn1ncc(C(=O)N2CCC[C@H](n3nnc4cc(C(F)(F)F)ccc43)C2)c1C 12184903 PEXYMKOTYLBSSX-AWEZNQCLSA-N 406.412 3.452 0 40 HGAB Cc1ccccc1S(=O)(=O)N1CCC[C@@H]2CN(C(=O)c3cccc(F)c3)C[C@@H]21 12188179 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Cn1c(=O)n(C)c2cc(NC(=O)CCCc3nc(-c4ccc(F)cc4)no3)ccc21 19658259 JEYZRZHZHQGQBP-UHFFFAOYSA-N 409.421 3.028 0 40 HGAB Cc1cc(C)n(CC(=O)N2CCC[C@@H](c3ccc(Cc4ccccc4)cn3)C2)c(=O)n1 19690383 FEMNDKVKKKLFEL-JOCHJYFZSA-N 416.525 3.252 0 40 HGAB Cc1ncc(C(=O)N2CCC[C@H]2c2ncc(C(=O)Nc3ccccc3)c(C)n2)c(C)n1 19755404 BHRJVVDQFIKKJZ-FQEVSTJZSA-N 416.485 3.421 0 40 HGAB CCC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1cc(C)ccc1OC 20007287 ALLBFSFBJOSTQG-IEBWSBKVSA-N 418.559 3.198 0 40 HGAB CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cc(F)ccc3F)C2)cc1 20017330 ZFTAVMFUAFQRFQ-AWEZNQCLSA-N 424.469 3.403 0 40 HGAB CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1cc(OC)c(OC)cc1C(=O)OC 20042491 LAZAHGFYDADWHP-QGZVFWFLSA-N 403.431 3.295 0 40 HGAB CCSc1nc(NCCN2CCOCC2)c2c3c(sc2n1)COC(C)(C)C3 20392550 MANDLRHJIIOSAH-UHFFFAOYSA-N 408.593 3.399 0 40 HGAB Cc1ccc(CCCNC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)cc1 20452049 ALBLNRYETBDSLQ-GOSISDBHSA-N 406.573 3.206 0 40 HGAB COC(=O)c1ccc(CS(=O)(=O)NCCCc2ccc(OC(C)C)cc2)cc1 20456984 IWYFZCAKOUNPPH-UHFFFAOYSA-N 405.516 3.313 0 40 HGAB CC[C@@H](NC(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O)c1ccc(OC)cc1 20462518 MNTIPUXHIBJEHN-LJQANCHMSA-N 404.532 3.346 0 40 HGAB CS(=O)(=O)N(Cc1ccccc1)c1ccc(OCC(=O)NC2CCCCC2)cc1 22230955 BDJPKDUVYFLVED-UHFFFAOYSA-N 416.543 3.481 0 40 HGAB Cc1cccc(NC(=O)CN2CCN(CC(=O)N(C3=CCCCC3)C3CC3)CC2)c1C 22782480 LXQXKQVYLHVGCO-UHFFFAOYSA-N 424.589 3.308 0 40 HGAB Cc1ccc(C(=O)Cn2ncc(Br)c(Br)c2=O)cc1C 24136623 WMSMRHCIBMCQEJ-UHFFFAOYSA-N 400.070 3.268 0 40 HGAB O=C(CNc1ccc(S(=O)(=O)N2CCCCCC2)cc1)NCCc1cccs1 24221193 LDTZNEBNRMZDMA-UHFFFAOYSA-N 421.588 3.084 0 40 HGAB COc1ccccc1NC(=O)N1CCNC(=O)[C@H]1c1c(C)nn(-c2ccccc2)c1C 24365411 ZWRSDFVUHVQWMH-OAQYLSRUSA-N 419.485 3.203 0 40 HGAB CCOC(=O)c1ccsc1NC(=O)CSc1nnc2[nH]c3ccccc3n12 24834874 ZJBJJFFEUWYNRK-UHFFFAOYSA-N 401.473 3.180 0 40 HGAB Cc1ccc(-n2nc(C)cc2NC(=O)c2ccc(S(=O)(=O)N3CCCC3)o2)cc1 24915861 CVLCYRFKWGWXHV-UHFFFAOYSA-N 414.487 3.119 0 40 HGAB CC(C)NS(=O)(=O)c1cc(C(=O)Nc2cccc(OC3CCCC3)c2)n(C)c1 29361018 IBGHMQPTRBDQAT-UHFFFAOYSA-N 405.520 3.286 0 40 HGAB C[C@H]1CN(c2ccc(C(=O)N[C@@H](C)c3ccc4c(c3)OCCCO4)cn2)C[C@@H](C)O1 32284188 VZHZLHHBFUNQCF-BBWFWOEESA-N 411.502 3.348 0 40 HGAB C[C@]1(CCc2ccccc2)NC(=O)N(CC(=O)Nc2cccc3cccnc23)C1=O 32722410 APVUBBODQBDTLS-HSZRJFAPSA-N 402.454 3.117 0 40 HGAB CCc1noc([C@H](C)N2CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)n1 32755241 MZZYEYAKLKGPGD-NSHDSACASA-N 419.334 3.006 0 40 HGAB O=C(NCc1ccccc1F)Nc1snnc1C(=O)NCc1ccccc1F 33436167 QLPXTDGZRFIBLX-UHFFFAOYSA-N 403.414 3.068 0 40 HGAB COc1cc(-c2c3c(nc4cc5c(cc24)OCO5)COC3=O)c(OC)c2c1OCO2 35326599 QOQOGVCRNNTYDT-UHFFFAOYSA-N 409.350 3.047 0 40 HGAB CC(=O)N1CCOc2cc(S(=O)(=O)N3CCC[C@H]3c3cccc(C)c3)ccc21 36620344 GVPLFWNUKYRATD-IBGZPJMESA-N 400.500 3.266 0 40 HGAB Cc1ccc(-n2ccnc2S(=O)(=O)CC(=O)NCCCc2ccccc2)c(C)c1 40152137 DJQKUPZWZCTGGC-UHFFFAOYSA-N 411.527 3.012 0 40 HGAB Cc1ccc(NS(=O)(=O)c2n[nH]c(C)c2C(=O)NC[C@H](C)c2ccccc2)cc1 49003422 DYGZDVIQBAXKMK-HNNXBMFYSA-N 412.515 3.361 0 40 HGAB Cc1ccc([C@H]2NC(=O)N(CC(=O)Nc3ccc(C)cc3C)C3=C2C(=O)OC3)cc1 49402867 WBXUIZHAYDCGIR-OAQYLSRUSA-N 405.454 3.128 0 40 HGAB C[C@@H]1CCCC[C@H]1OCCNC(=O)NCc1cn2cc(Br)ccc2n1 57343448 WWFZWNBNYAGYJA-CZUORRHYSA-N 409.328 3.491 0 40 HGAB Cc1ccc(NC(=O)Cn2c(=O)n(-c3cccc(C)c3)c(=O)c3sccc32)cc1 57489946 WMOGWXMAUUGHJW-UHFFFAOYSA-N 405.479 3.469 0 40 HGAB COc1ccc(S(=O)(=O)N2C[C@H](C(=O)Nc3ccccc3)Oc3ccccc32)cc1 64986224 APADISOAGURTGH-OAQYLSRUSA-N 424.478 3.290 0 40 HGAB CCn1c(=O)c2sccc2n2c(CCCC(=O)Nc3cccc(OC)c3)nnc12 67342075 AKKUWQHGKBPNHQ-UHFFFAOYSA-N 411.487 3.096 0 40 HGAB COC(=O)c1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C 69121560 MKZVVRXQIZJBEN-UHFFFAOYSA-N 416.499 3.209 0 40 HGAB COc1ccnc(Cn2nc3c4c(C)c(C)sc4nc(C(C)C)n3c2=O)c1OC 72335233 XOWXCJQLDXTVSL-UHFFFAOYSA-N 413.503 3.306 0 40 HGAB COc1ccc(S(=O)(=O)C2CCN(C(=O)CSCc3ccccc3)CC2)cc1 96121828 JUONXLSCZNATAF-UHFFFAOYSA-N 419.568 3.393 0 40 HGAB O=C(Nc1ccccc1)[C@@H]1Cn2ccnc2C2(CCN(Cc3ccccc3)CC2)O1 96144612 FFXRJQYGEHBTIC-NRFANRHFSA-N 402.498 3.412 0 40 HGAB COCc1cc(=O)c(O)c([C@H](CC(=O)N2CCOCC2)c2cccc3ccccc23)o1 96231026 UHUFWZVNMPVUMF-HXUWFJFHSA-N 423.465 3.026 0 40 HGAB CC(=O)N1CCc2nc3cc([C@@H]4CCCCN4Cc4cccs4)nn3c(O)c2C1 100242893 GEFJECFSSKEZCZ-IBGZPJMESA-N 411.531 3.128 0 40 HGAB CCc1ccccc1Nc1nc(N)nc(COC(=O)C2C[C@H]3CCC[C@H](C2)C3=O)n1 100901905 HHFHPRUAMGMGIO-HUUCEWRRSA-N 409.490 3.198 0 40 HGAB Cc1ccc(N2C(=O)[C@@H]3[C@@H](N=NN3Cc3nc(-c4ccc(C)c(C)c4)no3)C2=O)cc1 101272266 WQBWYPVUBVVEAL-MOPGFXCFSA-N 416.441 3.155 0 40 HGAB COc1cccc(/C=C2/CCc3c2nc2ccccc2c3C(=O)OCC(N)=O)c1OC 104313105 ZZBPQTNOOZQEQQ-OWBHPGMISA-N 418.449 3.381 0 40 HGAB CCOC(=O)[C@@]1(CN)[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 218533502 SRMQAWYJNWDINO-HBFSDRIKSA-N 407.919 3.096 0 40 HGAB CC[C@H](C(=O)Nc1cc(C(=O)OC)ccc1C)N(c1cccc(C)c1)S(C)(=O)=O 220504838 JTUUCGASNXUXOJ-LJQANCHMSA-N 418.515 3.273 0 40 HGAB CC1CCN(S(=O)(=O)c2ccc(OCC(=O)N(C)c3ccc(F)cc3)cc2)CC1 222754605 LGSJRKGQLPDWLE-UHFFFAOYSA-N 420.506 3.288 0 40 HGAB COc1ccc(-c2noc(CNC(=O)COc3cccc(Cl)c3)n2)c(OC)c1 222772337 NAQVBPMWNIKQRZ-UHFFFAOYSA-N 403.822 3.102 0 40 HGAB COc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@H]3C[C@@H]4CC[C@@H]3C4)cc2)cc1 223982133 DSIQFGBKRZPAOT-KKVAFCGZSA-N 400.500 3.414 0 40 HGAB Cc1ccc(CN(C)C(=O)CCCN(c2ccc(F)c(F)c2)S(C)(=O)=O)cc1 224041852 NNTKSLBDOURDDS-UHFFFAOYSA-N 410.486 3.478 0 40 HGAB COc1ccc(OC)c(NC(=O)Cn2ccc(=O)c3cc(Br)ccc32)c1 225729027 QMTWLRHJDYFJHO-UHFFFAOYSA-N 417.259 3.420 0 40 HGAB COc1cccc(N(C)C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)c1 226078013 LVKNEHLXHZFBKR-HNNXBMFYSA-N 422.934 3.412 0 40 HGAB COc1ccccc1N(CCCC(=O)NC[C@H](C)c1ccccc1)S(C)(=O)=O 260850803 RALSEDDXPWJFIA-KRWDZBQOSA-N 404.532 3.161 0 40 HGAB CCC(=O)N1C[C@@H](c2ccnn2C(C)C)[C@@]2(CCCN(Cc3cccnc3)C2=O)C1 306124141 BHKZGKFJVPMCIH-WMZHIEFXSA-N 409.534 3.004 0 40 HGAB Cc1ccc(N2C[C@H](C(=O)Oc3cccc(N4C(=O)CCCC4=O)c3)CC2=O)c(C)c1 408654603 GFGOKHPNATZTID-QGZVFWFLSA-N 420.465 3.305 0 40 HGAB Cc1ccc(CNC(=O)c2ccccc2NC(=O)C(=O)NCc2cccs2)cc1 408709936 JBXBNKBQORDBAU-UHFFFAOYSA-N 407.495 3.241 0 40 HGAB COc1ccc2c(c1)[C@@]1(CC2)NC(=O)N(Cc2cc3c(cc2Cl)OCCO3)C1=O 569731354 ROGLKTXCFYFZEK-OAQYLSRUSA-N 414.845 3.013 0 40 HGAB CCOC1(c2nc([C@H]3CCCO3)no2)CCN(CCOc2ccc(OC)cc2)CC1 583615987 ZWJZDOIYNYBDBI-LJQANCHMSA-N 417.506 3.336 0 40 HGAB Cn1nc(CNC(=O)N2CCC(n3ccc(C(F)(F)F)n3)CC2)c2ccccc21 680568330 BBMQADKBBJUVQW-UHFFFAOYSA-N 406.412 3.335 0 40 HGAB COCCN1C(=O)[C@@H](CC(=O)Nc2ccc(Cl)cc2)Cn2c1nc1ccccc12 1548338260 VDUXSVKBRJLDEJ-AWEZNQCLSA-N 412.877 3.328 0 40 HGAB CC(=O)NS(=O)(=O)c1ccc(NC(=O)C2c3ccccc3Oc3ccccc32)cc1 898196 JBUNAWNJEZPQEB-UHFFFAOYSA-N 422.462 3.388 0 40 HGAB CC(C)(C)C(=O)N[C@@H](O[C@H](NC(=O)C(C)(C)C)C(=O)C(C)(C)C)C(=O)C(C)(C)C 1612886 OTLOPNSFZJSSPI-HOTGVXAUSA-N 412.571 3.210 0 40 HGAB CCOc1ccc(/C=C2\N=C(c3cc(OC)c(OC)c(OC)c3)OC2=O)cc1OC 2097402 KQDUTNQHICTYOT-DHDCSXOGSA-N 413.426 3.464 0 40 HGAB biogenic Cc1ccc(N2C(=O)[C@H](C(=O)N3CCOCC3)[C@@H](c3ccccc3)C(C)(C)C2=O)cc1 2425948 SUYPXZCBVICTHR-LEWJYISDSA-N 420.509 3.153 0 40 HGAB COc1cc([C@H]2NC(=O)c3oc4ccc(Cl)cc4c(=O)c32)cc(OC)c1OC 2433162 RESNZFPFRKNUCB-MRXNPFEDSA-N 401.802 3.305 0 40 HGAB Cc1nn(C(F)F)c(C)c1C(=O)Nn1c(C)nc2sc3c(c2c1=O)CCCC3 2785498 FMTVXDZYTFHNLS-UHFFFAOYSA-N 407.446 3.238 0 40 HGAB O=C(Cn1c(=O)oc2ccccc21)Nc1nc2c(s1)CN(Cc1ccccc1)CC2 3554175 OKLBAGAHGMXMPN-UHFFFAOYSA-N 420.494 3.248 0 40 HGAB CC(C)[C@H](C)NC(=O)CSc1nc2scc(-c3ccccc3)c2c(=O)n1N 4596970 GVOCXPIPXCPONK-LBPRGKRZSA-N 402.545 3.092 0 40 HGAB CSCC[C@H](NC(=O)C1CCC(C)CC1)C(=O)Nc1ccc2c(c1)OCCO2 4597987 LVUPFFTYSLXMFA-DQPZFDDXSA-N 406.548 3.461 0 40 HGAB O=C(c1ccc(Br)cc1)[C@H](C(=O)N1CCCCC1)n1ccccc1=O 4690329 YVGMSFASRYOKQS-QGZVFWFLSA-N 403.276 3.047 0 40 HGAB O=S(=O)(c1ccc(F)c2ccccc12)N1CCO[C@@H](COc2ccccc2)C1 4770136 KVOOSOARTQFFGD-QGZVFWFLSA-N 401.459 3.447 0 40 HGAB CCc1ccccc1N1C[C@H](C(=O)OCC(=O)Nc2cccc(Cl)c2)CC1=O 5037626 SRODRTYUJCETNM-OAHLLOKOSA-N 400.862 3.437 0 40 HGAB CCc1ccc(CN(C(=O)COc2ccc(C)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 5091603 WMJXAYJHNCINDH-HXUWFJFHSA-N 401.528 3.152 0 40 HGAB CCc1sc(C(=O)OCC(=O)c2ccc3c(c2)CCN3S(=O)(=O)CC)cc1C 5198903 JMCMRLGUTYUGJD-UHFFFAOYSA-N 421.540 3.371 0 40 HGAB CCOc1cc(/C=C2/N=C(c3ccc(NC(C)=O)cc3)OC2=O)ccc1OC(C)=O 5200439 LDCWLMICVZIVKI-WOJGMQOQSA-N 408.410 3.314 0 40 HGAB C[C@@H](Sc1nncn1-c1cccc(Cl)c1)C(=O)Nc1ccc(C(N)=O)cc1 5891630 GPQOWSLXWKZXAG-LLVKDONJSA-N 401.879 3.139 0 40 HGAB COc1ccc(-c2csc(NC(=O)C3=C[C@@H]4C=CC=C[C@@H]4OC3=O)n2)c(OC)c1 6441389 PYEVZSXBSYBGFU-SJCJKPOMSA-N 410.451 3.360 0 40 HGAB CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)OCC(=O)N[C@H]1CCC[C@@H](C)[C@H]1C 6664088 GWMDAVQEBFMDBC-OHRYMORCSA-N 406.498 3.064 0 40 HGAB CC(C)(C)c1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nccs3)CC2)cc1 6906454 IBGAWTDLPGTQCP-UHFFFAOYSA-N 407.561 3.480 0 40 HGAB Cc1cc(C(=O)CN2C(=O)N[C@](C)(c3ccccc3)C2=O)c(C)n1CC(F)(F)F 6946253 IAWRJXLHNZJQQB-LJQANCHMSA-N 407.392 3.317 0 40 HGAB CC(=O)c1sc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)nc1C 7983194 AMEYJBHOFZTEGE-UHFFFAOYSA-N 421.544 3.389 0 40 HGAB CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)OCC(=O)Nc1cccnc1Cl 8128441 ZEWMOUUCOIXWAQ-KRWDZBQOSA-N 419.865 3.168 0 40 HGAB COc1ccc(OC)c(NC(=O)CSc2nnc(-c3ccccc3Cl)n2N)c1 8647347 IBQTVHYHPVNUSV-UHFFFAOYSA-N 419.894 3.060 0 40 HGAB CCOC(=O)c1ccc(NC(=O)c2nn(-c3ccc(OCC)cc3)ccc2=O)cc1 9205687 PACKAXSZIQAEHE-UHFFFAOYSA-N 407.426 3.060 0 40 HGAB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)CCn1c(=O)oc2ccccc21 9255577 CXEDXUJLZVFXLA-UHFFFAOYSA-N 404.470 3.163 0 40 HGAB COC(=O)c1ccc(NC(=O)CSc2nnc3n2CCN3c2ccc(C)cc2)cc1 9651604 YRMLXIBFZVXTRN-UHFFFAOYSA-N 423.498 3.256 0 40 HGAB COc1ccc(-c2ccc(=O)n(CCNC(=O)c3ccccc3C(F)(F)F)n2)cc1 9660859 XNEKRUVWAYHFID-UHFFFAOYSA-N 417.387 3.368 0 40 HGAB CCOc1ccccc1CCCNC(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O 10110929 WHZYEVLUWGRELL-UHFFFAOYSA-N 418.559 3.217 0 40 HGAB CS(=O)(=O)N1Cc2ccccc2O[C@]2(CCCN(Cc3ccc(F)cc3)C2)C1 12087214 BXESOJUOCLUWTD-NRFANRHFSA-N 404.507 3.015 0 40 HGAB C[C@H]1CN(C(=O)c2ccc(NS(=O)(=O)c3cccc(Cl)c3)cc2)C[C@@H](C)O1 12507974 ICAYNXBZQNYZLF-OKILXGFUSA-N 408.907 3.390 0 40 HGAB CC(=O)Nc1ccc(C(=O)Nc2cccc(S(=O)(=O)NCc3ccco3)c2)s1 12783959 OXZFOWVTUKDOCC-UHFFFAOYSA-N 419.484 3.030 0 40 HGAB CCCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)NCc1cccc(Cl)c1 12800907 RDPMKLBMPYKUPU-JOCHJYFZSA-N 411.889 3.345 0 40 HGAB O=C(CN1CCC(c2nc3ccccc3o2)CC1)c1c[nH]c(C(=O)N2CCCC2)c1 12814406 RVQMMNSWABVFHH-UHFFFAOYSA-N 406.486 3.454 0 40 HGAB O=C(CCCN1C(=O)NC2(CCCC2)C1=O)N1CCC(c2nc3ccccc3o2)CC1 12856500 VRRLXENDZHPWFO-UHFFFAOYSA-N 424.501 3.179 0 40 HGAB CCC[C@H]1NC(=O)N(CC(=O)N(Cc2ccco2)C23CC4CC(CC(C4)C2)C3)C1=O 12875707 QAFPWFPMLPQQKH-YLSHDAJPSA-N 413.518 3.298 0 40 HGAB C[C@@H](c1nc(C(C)(C)C)no1)N1CCN(C(=O)c2cccc(OC(F)F)c2)CC1 12910115 DTRXSOPVQOPKLY-ZDUSSCGKSA-N 408.449 3.488 0 40 HGAB CCCCN1C(=O)C[C@@H](C(=O)Nc2nccs2)[C@@H]1c1cccc(OC)c1OC 13689123 BNVWQQBTEWNRIK-PBHICJAKSA-N 403.504 3.489 0 40 HGAB O=C([C@@H]1CCCO1)N1CCc2ccc(NC(=O)C3(c4ccccc4)CCOCC3)cc21 13695723 LVCNDSAOXJTOEE-QFIPXVFZSA-N 420.509 3.442 0 40 HGAB CCOc1ccc(/N=c2\scc(-c3ccc(O)c(C(N)=O)c3)n2CCOC)cc1 14067145 HKFDZSVKXKBUHI-LNVKXUELSA-N 413.499 3.299 0 40 HGAB COC(=O)COC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1ccc(OC)c(OC)c1 14673952 IBCIEGMQHDHRQT-ZRDIBKRKSA-N 422.437 3.286 0 40 HGAB O=c1nc2s/c(=C\c3ccc(-c4ccc(F)cc4)o3)c(=O)n2nc1-c1ccccc1 16733094 LZLQNLGPRNZKJI-PDGQHHTCSA-N 417.421 3.125 0 40 HGAB O=S(=O)(Cc1ccc(Cl)cc1)c1ccc(NCc2ccc3c(c2)OCO3)nn1 16843372 OFZLMPIVWLMLED-UHFFFAOYSA-N 417.874 3.445 0 40 HGAB CCS(=O)(=O)N1CCCc2ccc(NC(=O)c3ccc(OC)c(OC)c3)cc21 17316257 WUUJKSLXQPZHQC-UHFFFAOYSA-N 404.488 3.058 0 40 HGAB COc1ccccc1[C@@H](CNC(=O)c1ccc2c(c1)NC(=O)CS2)N1CCCC1 17793852 SBNPJMPVVFWVDC-GOSISDBHSA-N 411.527 3.306 0 40 HGAB O=C(CCOc1ccc(Cl)cc1)N1CCO[C@H](c2nc(-c3ccncc3)no2)C1 19335881 MJKYOZHHFQWEJI-KRWDZBQOSA-N 414.849 3.154 0 40 HGAB O=C(OC[C@@H]1CCCN(Cc2nc(-c3ccc(-c4ccncn4)cc3)no2)C1)C1CC1 19336831 TVNUPIWQUKDKET-MRXNPFEDSA-N 419.485 3.359 0 40 HGAB O=C(CS(=O)(=O)Cc1ccccc1)N[C@H](Cc1ccsc1)c1nccs1 19372727 ZYENTCUZIMQMIL-MRXNPFEDSA-N 406.554 3.220 0 40 HGAB O=c1[nH]c2ccc(S(=O)(=O)N3CCC[C@H](c4nc5ccccc5[nH]4)C3)cc2s1 19375799 UXXWKNDGWSVEAY-LBPRGKRZSA-N 414.512 3.034 0 40 HGAB COc1ccc(N2C[C@H](NC(=O)c3ccc(-n4nc(C)cc4C)cc3)CC2=O)cc1 19660023 AOGNBTSJLWIKLM-GOSISDBHSA-N 404.470 3.033 0 40 HGAB NC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1cc(-c2ccccn2)nc2ccccc12 19666574 APQSRLJBECNGCO-HSZRJFAPSA-N 408.461 3.349 0 40 HGAB Cc1cc(C)n(CC(=O)N2CCC[C@H](c3ccc(Cc4ccccc4)cn3)C2)c(=O)n1 19690384 FEMNDKVKKKLFEL-QFIPXVFZSA-N 416.525 3.252 0 40 HGAB COC(=O)[C@@H](N[C@H]1C(C)=C(C)C(=O)N1Cc1ccc(OC)cc1)c1ccccc1OC 20058053 SQEYVWQLCGFYLQ-FCHUYYIVSA-N 424.497 3.212 0 40 HGAB COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)[C@H](C)Oc1ccc(C)cc1 20457515 ZMKXPODANKFXJQ-HNNXBMFYSA-N 406.504 3.096 0 40 HGAB CC[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1)c1ccc(OC)cc1 20493501 BWXYZSOBENZNNW-FUHWJXTLSA-N 422.572 3.425 0 40 HGAB CC(=O)c1ccc(NC(=O)C[C@H]2C(=O)Nc3nc(-c4ccc(Cl)cc4)nn32)cc1 20722287 FUGYPMRTXVCGAO-INIZCTEOSA-N 409.833 3.323 0 40 HGAB COc1ccc(Cl)cc1C(=O)NC[C@@H](c1ccc(C)cc1)N1CCN(C)CC1 22582564 RKPCIVCHOQMESK-FQEVSTJZSA-N 401.938 3.376 0 40 HGAB CCN(CC)[C@H](CNC(=O)c1cc(S(N)(=O)=O)ccc1C)c1ccccc1Cl 22681903 WSOFBNAHQWJSDJ-LJQANCHMSA-N 423.966 3.109 0 40 HGAB Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)Nc2ccc(F)cc2F)CC1 24611360 RMESEAUZQORWFL-UHFFFAOYSA-N 408.470 3.454 0 40 HGAB Cc1ccc(-c2noc([C@H](C)N3CCN(C(=O)c4cccc5cn[nH]c45)CC3)n2)cc1 24877665 KBQQHJRZHLAXFN-INIZCTEOSA-N 416.485 3.440 0 40 HGAB O=C(NC[C@@H](c1ccccc1)N1CCOCC1)c1cc(=O)c2cc(Cl)ccc2o1 28289734 QNUVAMWTEAYBTC-SFHVURJKSA-N 412.873 3.250 0 40 HGAB O=C(NCCCSc1ccccc1)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 31355358 ZTNAWXFKALYEKR-LJQANCHMSA-N 422.547 3.277 0 40 HGAB Cc1nnc2ccc(N3CCC[C@H](C(=O)Nc4ccc(C(F)(F)F)cc4)C3)nn12 32095190 PUIYPADTGQOGIA-ZDUSSCGKSA-N 404.396 3.307 0 40 HGAB CC(=O)NCc1ccc(-c2csc(NC(=O)c3ccc(-n4cncn4)cc3)n2)cc1 32731048 IVPWHGWJHMADMQ-UHFFFAOYSA-N 418.482 3.279 0 40 HGAB COc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)O[C@H]2C[C@@H](C)OC2=O)cc1 32736675 MSFOSTWYTYVNKI-QRWLVFNGSA-N 406.438 3.468 0 40 HGAB COc1ccc(CCn2c(C)cc(C(=O)CN3C(=O)N[C@@](C)(C4CC4)C3=O)c2C)cc1 32910670 MEYZRRLFUTYJNK-DEOSSOPVSA-N 423.513 3.259 0 40 HGAB CS(=O)(=O)N(CC(=O)NCc1ccccc1Cl)Cc1ccc(Cl)cc1 33736030 QZDWHUXVSURJTR-UHFFFAOYSA-N 401.315 3.071 0 40 HGAB CN(CC(=O)Nc1nc(Cc2ccccc2)c(-c2ccccc2)s1)S(C)(=O)=O 40134446 MAFWVBUZUJGDHA-UHFFFAOYSA-N 415.540 3.231 0 40 HGAB CC(C)N(CCNC(=O)C1CCN(C(=O)Cc2ccc(Cl)cc2)CC1)C(C)C 40150161 DZHRWUIHGMFSLB-UHFFFAOYSA-N 407.986 3.356 0 40 HGAB Cc1cc(S(=O)(=O)NCCc2c(C)nc3n2CCCC3)ccc1Br 40158368 XAIOCOUZUTYXMN-UHFFFAOYSA-N 412.353 3.120 0 40 HGAB CN(C)[C@@H](CNC(=O)c1ccccc1I)Cc1ccccc1 42671968 XATXJZVIYHNBSR-OAHLLOKOSA-N 408.283 3.194 0 40 HGAB Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1C(=O)C(=O)N1C[C@@H](C)OC[C@@H]1C 45448628 IIIHNUGFOMTYCA-NWDGAFQWSA-N 409.408 3.326 0 40 HGAB Cc1ccc(NC(=O)C2CC2)cc1NC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 48367972 PSYHKURNRWHWSW-UHFFFAOYSA-N 402.495 3.428 0 40 HGAB CSc1cccc(NC(=O)Cn2nc3c(Sc4ccccc4)nccn3c2=O)c1 49008784 NSOQSDSTXWHGJH-UHFFFAOYSA-N 423.523 3.403 0 40 HGAB C[C@@H](CNC(=O)Nc1ccc(NC(=O)[C@@H](C)n2cncn2)cc1)N(C)c1ccccc1 58145851 VOIDCLADDZIOPK-DLBZAZTESA-N 421.505 3.124 0 40 HGAB CCc1noc(CN2CCN(S(=O)(=O)c3c(C)cc(C(C)(C)C)cc3C)CC2)n1 58596278 PFLMAYSJOXVROC-UHFFFAOYSA-N 420.579 3.053 0 40 HGAB CC(C)CCNC(=O)Cn1c(=O)cc(-c2nc(-c3ccccn3)no2)c2ccccc21 67318600 ZXKUXUZKMPLVMQ-UHFFFAOYSA-N 417.469 3.276 0 40 HGAB COc1ccc(NC(=O)c2nnn(CC(=O)Nc3cc(Cl)ccc3C)c2C)cc1 67323328 BGWCVXFTBSLTKA-UHFFFAOYSA-N 413.865 3.448 0 40 HGAB CCc1ccc(CNC(=O)c2cn(-c3cc(-c4nc(CC)no4)ccn3)cn2)cc1 71768511 COVLAFLDQGZFPV-UHFFFAOYSA-N 402.458 3.372 0 40 HGAB Cc1ncsc1C(=O)N1CCC[C@@H](c2nccnc2-c2cccc(C(N)=O)c2)C1 72359040 YEZIAXXMYVMBAS-MRXNPFEDSA-N 407.499 3.027 0 40 HGAB Cc1ccc(C2(CN3CCC(NC(=O)Cn4cccnc4=O)CC3)CCCCC2)cc1 72393594 SCTTYHDIKJCLLN-UHFFFAOYSA-N 422.573 3.034 0 40 HGAB Cc1ccc(N2C[C@@H](C(=O)N(c3ccc(C)cc3)[C@@H]3C=CS(=O)(=O)C3)CC2=O)cc1 79052905 KWXKMJJVKJKTNS-GHTZIAJQSA-N 424.522 3.000 0 40 HGAB COc1ccc2nc(C3CC3)cc(C(=O)NCCCNC(=O)c3cccc(O)c3)c2c1 83970160 HRCQPHWDXFRDIB-UHFFFAOYSA-N 419.481 3.376 0 40 HGAB COc1ccc(C(=O)NCc2nc(-c3cccc(Br)c3)no2)cc1OC 95482195 RBDGIAZSWFIFMR-UHFFFAOYSA-N 418.247 3.446 0 40 HGAB COc1ccc(S(=O)(=O)C2CN(C(=O)C(C)(C)Oc3ccc(Cl)cc3)C2)cc1 96121884 QTSMKOMHIYZLBT-UHFFFAOYSA-N 423.918 3.191 0 40 HGAB Cc1nc(-c2ccc(CNC(=O)CCN3C(=O)[C@H]4CCCC[C@H]4C3=O)s2)cs1 100799316 ZPUWWFNKAOKAQP-GASCZTMLSA-N 417.556 3.362 0 40 HGAB O=C(O)C12C[C@H]3C[C@H](C1)CC(n1ncc(NCc4ccco4)c(Cl)c1=O)(C3)C2 101091787 CWSUGFSITARRHX-CJKMCJCZSA-N 403.866 3.482 0 40 HGAB O=C(COC(=O)C1CCC(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)CC1)c1ccccc1 101222284 PQWUGLKIHZZQEC-QAVVGFITSA-N 409.482 3.002 0 40 HGAB COc1ccc(N[C@H]2CC(=O)N(c3ccccc3Br)C2=O)c(OC)c1 101276917 FTQSQAQFDPSAOW-AWEZNQCLSA-N 405.248 3.210 0 40 HGAB Cc1ccc2cc(COC(=O)CN3C(=O)[C@@H]4CCCC[C@H]4C3=O)c(Cl)nc2c1 102591526 RFGQDEVNAXWYMS-HZPDHXFCSA-N 400.862 3.415 0 40 HGAB COC(=O)CSc1nc2n(n1)[C@H](c1cc(F)cc(F)c1)C1=C(O)CCCC1=N2 102657488 UQEXDLRVVFKRAA-MRXNPFEDSA-N 406.414 3.493 0 40 HGAB COc1ccc(S(=O)(=O)Nc2cnc(Oc3ccccc3F)nc2)cc1OC 224286868 TYFCJIXLKAIXDX-UHFFFAOYSA-N 405.407 3.226 0 40 HGAB CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCCc1cccc(C)c1 225460673 INJUMQPEHQSCNU-OAQYLSRUSA-N 418.559 3.297 0 40 HGAB Cn1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c1 225538931 NROADPWAPPWFMQ-SFTDATJTSA-N 405.527 3.421 0 40 HGAB C[C@@H]1CCCCN1CCNC(=O)[C@@H]1C[C@H]2CC[C@@]1(C)C[C@]21NC(=O)c2ccccc2N1 253596393 QTKGBJSIUXKRNT-MAHDGHQGSA-N 424.589 3.355 0 40 HGAB O=C(Cc1ccc2c(c1)CCCO2)N1CCC[C@H]1c1cncc(Nc2ncccn2)n1 257203030 AOIXHNIVAUHDOF-IBGZPJMESA-N 416.485 3.241 0 40 HGAB CC(=O)N1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)N2C(=O)c1cnccn1 257218484 DDHVAVXKQNQQQY-CFKFVRPNSA-N 404.514 3.092 0 40 HGAB COc1ccccc1C(=O)N(C)[C@H]1CC[C@@](CNC(C)=O)(c2ccccc2)CC[C@@H]1O 257229193 FXBSEUKTMNMIDX-WRALFONMSA-N 424.541 3.145 0 40 HGAB Cn1cc(C(=O)N2CC[C@@]3(C)[C@@H]2CCC(=O)N3Cc2ccc(C(F)(F)F)cc2)cn1 257236116 HAVAQACTQHUPSG-PXNSSMCTSA-N 420.435 3.235 0 40 HGAB Cc1nccn1[C@@H]1CCC[C@@H](N(C)C(=O)CCCc2nc3ccccc3n2C)[C@H]1O 257238520 HLJYMAQSNNTIRL-TXTKFYIRSA-N 409.534 3.014 0 40 HGAB CNC(=O)[C@]1(c2ccccn2)CCCN(Cc2cccc(OCc3ccccn3)c2)C1 257262252 LKSNRYRHGLQCIV-RUZDIDTESA-N 416.525 3.335 0 40 HGAB NC(=O)C[C@]1(COc2ccccc2)CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 257338384 YXCREKLKWJSHFG-HXUWFJFHSA-N 422.934 3.065 0 40 HGAB Cc1ccc(C(=O)N2C[C@@H](c3ccnn3C)[C@@]3(CCCN(CC4CC4)C3=O)C2)s1 306125794 DCRCAFRSLHUSBG-HTAPYJJXSA-N 412.559 3.048 0 40 HGAB COc1cccc(CN2CCC[C@]3(CN(Cc4cnn(C)c4)CC(F)(F)C3)C2=O)c1 306133577 MQBQDQLMNPKEPY-NRFANRHFSA-N 418.488 3.079 0 40 HGAB Cc1cc(C)cc(CN2CCN(c3nccn4c(-c5cnn(C)c5)cnc34)CC2)c1 306136970 QHWWHUMMWBZZNA-UHFFFAOYSA-N 401.518 3.069 0 40 HGAB CCC[C@H](C)NC(=O)C1CCN(S(=O)(=O)c2cc(Cl)ccc2OC)CC1 408559329 LPNPUCZSZQKUDK-ZDUSSCGKSA-N 402.944 3.054 0 40 HGAB Cc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(=O)NC1CCCCCCC1 408582616 DOHYVHYPPLOBBF-UHFFFAOYSA-N 408.564 3.387 0 40 HGAB CC(C)OCCCNC(=O)[C@H]1CC[C@@H](Cn2c(S)nc3ccccc3c2=O)CC1 409419463 IDDQBPGGJCAVRJ-CALCHBBNSA-N 417.575 3.423 0 40 HGAB O=C(NCCCCCc1nc2ccccc2[nH]1)c1c(-n2cnnn2)sc2c1CCC2 524734001 LNKNBSVQIQJRKM-UHFFFAOYSA-N 421.530 3.232 0 40 HGAB CC(C)C(=O)N1CCCCCCCNCc2cc(C(=O)NCCN(C)C)ccc21 643583523 FYWZKAFSPUHBJD-UHFFFAOYSA-N 402.583 3.021 0 40 HGAB COCCCn1c(C)cc(=O)c([C@@H](CC(=O)OC)c2ccc3ncccc3c2)c1O 1547212410 MBMKQFXMSHHZQA-SFHVURJKSA-N 410.470 3.142 0 40 HGAB CO[C@H]1CCN(C2CCN(C(=O)c3cc(Br)ccc3Cl)CC2)C1 1565519380 PLOPSTXAUSEELI-AWEZNQCLSA-N 401.732 3.428 0 40 HGAB O=C1[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)N1Cc1ccc(-c2nc3c4ccccc4ncn3n2)cc1 1615054511 ACJOUVCEPSAYLH-ZCLUNYJNSA-N 423.476 3.476 0 40 HGAB Cn1cc(-c2cnc(OC3CCN(c4ncc(C(F)(F)F)cc4F)CC3)nc2)cn1 1889175188 RJVHXKXEPLTTFD-UHFFFAOYSA-N 422.386 3.478 0 40 HGAB CN1C(=O)COc2ccccc2CCCC[C@H]2CN(CCCn3cccn3)CC[C@H]21 2037989145 XCSBKPRQJFVJNR-FCHUYYIVSA-N 410.562 3.228 0 40 HGAB COC(=O)c1cc(OC)c(OC)c(OC)c1NC(=O)CSCc1ccccc1 1428332 TWBPXOPJLMKQQK-UHFFFAOYSA-N 405.472 3.371 0 40 HGAB CCS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1nc2c(C)cccc2s1 2651593 JUAZEIBBWPALEA-MRXNPFEDSA-N 415.540 3.320 0 40 HGAB COc1ccc(NC(=O)C(=O)c2cn(CC(=O)N3CCCCC3)c3ccccc23)cc1 3015429 XNGITQUOUHWNFA-UHFFFAOYSA-N 419.481 3.484 0 40 HGAB COc1ccc(CCNC(=O)COC(=O)c2ccc(-n3nc(C)cc3C)cc2)cc1 3364786 FHPODWOOVMYVPH-UHFFFAOYSA-N 407.470 3.013 0 40 HGAB CCn1c(SCC(=O)N2CC(=O)Nc3ccccc32)nnc1-c1ccccc1OC 3401115 XZVRSWOGFKEUJP-UHFFFAOYSA-N 423.498 3.051 0 40 HGAB O=C(COC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1)NCc1cccs1 3489300 YBCUKFOPPOKXNE-UHFFFAOYSA-N 418.478 3.469 0 40 HGAB C[C@H]1Cc2nc(SCC(=O)N3CCCCC3)n(Cc3ccccc3)c(=O)c2S1 4108104 XQESKDUOTONEAS-HNNXBMFYSA-N 415.584 3.433 0 40 HGAB Cc1cccc(OCC(=O)N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)c1 4122761 JPQGWYNTSQEDDM-UHFFFAOYSA-N 400.347 3.418 0 40 HGAB COc1ccc(S(=O)(=O)Nc2cc(-c3cn4cccnc4n3)ccc2OC)cc1 4942733 OALSVPZBNFSEFD-UHFFFAOYSA-N 410.455 3.214 0 40 HGAB C[C@@H]1CCc2c(sc(NC(=O)COC(=O)c3cc4ccccc4[nH]3)c2C(N)=O)C1 5530516 PXMQWMAKOHJEED-LLVKDONJSA-N 411.483 3.249 0 40 HGAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(C)cc3)CC2)cc1 5559786 FODTUSAGCODFTA-UHFFFAOYSA-N 402.516 3.433 0 40 HGAB CN(Cc1ccccc1)C(=O)CN1C(=O)N[C@@](C)(c2ccc(C(C)(C)C)cc2)C1=O 6051707 GPBYXQCTNVZEQN-DEOSSOPVSA-N 407.514 3.410 0 40 HGAB CCN(CC)c1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3OC)C2=O)cc1 6630010 CVGUFVRWNIGYIV-VKAVYKQESA-N 409.511 3.373 0 40 HGAB CCN(CC)CCC[C@@H](C)NS(=O)(=O)c1ccc(OC)c(Br)c1 6638837 UWAYTVIJHFLOSY-CYBMUJFWSA-N 407.374 3.247 0 40 HGAB CCOc1ccc(NC(=O)c2cnc(NS(=O)(=O)c3ccc(C)cc3)nc2)cc1 6706813 JXZORWUODKOVTK-UHFFFAOYSA-N 412.471 3.237 0 40 HGAB CCc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3cc(F)ccc3F)CC2=O)cc1 6947445 QZUYOXNNGJMWDM-AWEZNQCLSA-N 402.397 3.062 0 40 HGAB CCOc1cccc(CNCCCSc2nnnn2C)c1OCc1ccccc1 7540514 VOGFNTBZDRTSFO-UHFFFAOYSA-N 413.547 3.460 0 40 HGAB Cc1ccc(C)c(NC(=O)COC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)c1 7758855 HDEQEDDPRDNBRR-UHFFFAOYSA-N 409.891 3.303 0 40 HGAB O=C1NC2(CCCC2)C(=O)N1CC(=O)N1CCCC[C@H]1c1nc2ccccc2s1 8076241 MQSJJYQVUFKSPR-HNNXBMFYSA-N 412.515 3.215 0 40 HGAB O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)N[C@@H]1CCOc2ccccc21 8114927 PEHZIBMAGXRGRF-HXUWFJFHSA-N 414.527 3.044 0 40 HGAB COc1ccc([C@@H](CNC(=O)N2CCN(c3ccccc3O)CC2)N2CCCC2)cc1 8160278 DLWJYTBHZSUCGK-JOCHJYFZSA-N 424.545 3.070 0 40 HGAB CCN(CC)C(=O)c1ccc(N[C@@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)cc1 8191657 SXWJBGRDQCXITI-SFHVURJKSA-N 424.545 3.444 0 40 HGAB COc1cc(OC)c(N2C[C@@H](C(=O)NCCc3ccc(F)cc3)CC2=O)cc1Cl 8274988 BKXYPDFUKYYSCH-AWEZNQCLSA-N 420.868 3.208 0 40 HGAB COc1ccc(OC)c(NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)c1 8487246 JYLUWYBBOSOJDL-UHFFFAOYSA-N 406.394 3.345 0 40 HGAB CCn1c(=O)c(=O)[nH]c2cc(C(=O)Nc3ccc(N4CCCCCC4)cc3)ccc21 8744685 YECSYCVDLRXYTQ-UHFFFAOYSA-N 406.486 3.342 0 40 HGAB CCOC(=O)C1(S(=O)(=O)c2ccc(OC)cc2)CCN(Cc2ccccc2)CC1 8855248 GNWSAGQKHSUVLT-UHFFFAOYSA-N 417.527 3.067 0 40 HGAB O=C(COC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1)Nc1ccccc1F 9055766 DNRORIBWRDDDBE-UHFFFAOYSA-N 418.380 3.422 0 40 HGAB Cc1ccc([C@@H]2N=C(N3CCN(c4ccccc4)CC3)Nc3nc(C)cc(=O)n32)cc1 9264590 JFWFDWVZIXKYIQ-JOCHJYFZSA-N 414.513 3.011 0 40 HGAB COc1ccc(NC(=O)C(=O)Nc2nc3ccccc3s2)cc1N1CCCCC1=O 9317845 BZOMURBGZZOYTA-UHFFFAOYSA-N 424.482 3.399 0 40 HGAB CC(=O)Nc1ccc(C(=O)NCC(=O)Nc2ccc(Br)cc2C)s1 10132590 PAIWWGHWDARMAY-UHFFFAOYSA-N 410.293 3.146 0 40 HGAB O=C(Nc1cccc(F)c1)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 10508069 CEEMUAFFTBICNB-UHFFFAOYSA-N 408.359 3.137 0 40 HGAB O=C(NCCCCOc1ccc(Cl)cc1)c1cccc(S(=O)(=O)NC2CC2)c1 11084835 MVQGMENWDPPBSG-UHFFFAOYSA-N 422.934 3.370 0 40 HGAB O=C(Cc1csc(N2CCCC2=O)n1)Nc1cccc(NC(=O)c2ccco2)c1 11361292 XKTYDUHUPGDUTC-UHFFFAOYSA-N 410.455 3.296 0 40 HGAB O=C(Cc1c(F)cccc1Cl)N1CCC[C@H]1Cn1nnc(-c2cccs2)n1 12085244 DEIKHXUESIMSQY-LBPRGKRZSA-N 405.886 3.428 0 40 HGAB CCCCNC(=O)CN1CCC[C@H](c2c(-c3cc(C)no3)cnc3cc(C)nn23)C1 12121265 BNRCWAUNSXRLFQ-KRWDZBQOSA-N 410.522 3.097 0 40 HGAB COC(=O)c1ccc(Cl)c(NC(=O)c2cccc(N3CCCCS3(=O)=O)c2)c1 12194536 AIMHVNWILKMQCU-UHFFFAOYSA-N 422.890 3.309 0 40 HGAB O=C([C@H]1CC=CCC1)N1CCN(S(=O)(=O)c2cc(Cl)cnc2C2CCC2)CC1 12235468 DIRAIZNWVVPJNM-INIZCTEOSA-N 423.966 3.192 0 40 HGAB COc1ccccc1OC[C@@H]1CCCN(Cc2cn(CC(N)=O)c3ccccc23)C1 12364379 NAAUMQOQAFDPHD-GOSISDBHSA-N 407.514 3.426 0 40 HGAB O=c1c2cnn(-c3cccc(C(F)(F)F)c3)c2ncn1C[C@H](O)c1ccccc1 12742846 GRDNXANOUOSXHQ-KRWDZBQOSA-N 400.360 3.335 0 40 HGAB Cc1nc(-c2ccccc2)sc1C(=O)NN1C(=O)N[C@@](C)(c2ccccc2)C1=O 12777777 MXFLLYVPBZSNNZ-NRFANRHFSA-N 406.467 3.231 0 40 HGAB CCOC(=O)c1cccc(NC(=O)c2ccc3nc(NS(C)(=O)=O)sc3c2)c1 13719993 IPBSPALQZQCWGO-UHFFFAOYSA-N 419.484 3.097 0 40 HGAB CC(C)CN(C(=O)/C=C/C1=Cc2cc(Cl)ccc2OC1)[C@@H]1CCS(=O)(=O)C1 14197766 WYUCVSRMMIBEPC-HNSSHINMSA-N 409.935 3.344 0 40 HGAB CCOc1ccc(NC(=O)c2ccc(N3C(=O)[C@H](C)CS3(=O)=O)cc2Cl)cc1 15858432 HZGHWPKXWNNKJO-GFCCVEGCSA-N 422.890 3.304 0 40 HGAB COCC(=O)N1CC[C@](Cc2ccc(-c3cccs3)cc2)(C(=O)NC(C)C)C1 19449229 QGJUNEVQDSORLO-JOCHJYFZSA-N 400.544 3.347 0 40 HGAB O=C(c1ccccc1)N1CC[C@H](c2c(C(=O)N3CCOCC3)sc3ncccc23)C1 19702399 SASFLITUTXTHSM-KRWDZBQOSA-N 421.522 3.398 0 40 HGAB CC1=NC2=NC(N3CCN(c4ccccc4)CC3)=N[C@@H](c3ccccc3)N2C(O)=C1 20028271 DBFTZCDJCPNXEZ-OAQYLSRUSA-N 400.486 3.409 0 40 HGAB Cc1cccn2c(=O)c3cc(C(=O)N4CCN(Cc5ccccc5)CC4)sc3nc12 20312455 FCAXCMJOGNILHA-UHFFFAOYSA-N 418.522 3.176 0 40 HGAB CC1=C(C(=O)N2CCOCC2)[C@H](c2ccccc2)n2ncnc2N1Cc1ccccc1 20674179 RWKRNCOKJUDESZ-QFIPXVFZSA-N 415.497 3.021 0 40 HGAB Cc1nc2n(c(=O)c1CCN1CCC(C(=O)c3ccc(F)cc3F)CC1)CCCC2 22008735 VVQWCIXBRCHDBW-UHFFFAOYSA-N 415.484 3.304 0 40 HGAB in-vitro O=c1c2ccccc2nnn1CN1CCN(C(c2ccccc2)c2ccccc2)CC1 22039710 KXDXJJPWMQAKOV-UHFFFAOYSA-N 411.509 3.156 0 40 HGAB CCn1cc(C(=O)Nc2ccc(C(N)=O)cc2)c(=O)c2cc(C(F)(F)F)ccc21 22236862 AGKZBAXZPHJFNU-UHFFFAOYSA-N 403.360 3.391 0 40 HGAB O=C([C@@H]1CCCN1C(=O)c1cccs1)N1CCN(Cc2ccc(Cl)cc2)CC1 23763687 YWOMGPYYMRDTKH-SFHVURJKSA-N 417.962 3.351 0 40 HGAB O=C(c1ccccc1N1CCCC1=O)N1CCN(Cc2nc3ccccc3s2)CC1 23907529 PUJJVZGWMPBQSB-UHFFFAOYSA-N 420.538 3.381 0 40 HGAB CC(C)[C@@H](CNC(=O)[C@H](NC(=O)c1ccco1)C(C)C)N1CCc2ccccc2C1 25536111 DFSVNQGRLZNUQZ-IFMALSPDSA-N 411.546 3.233 0 40 HGAB COc1cc(Cl)c(C)cc1N1C(=O)C[C@@H](Nc2cc(C(=O)O)ccc2C)C1=O 25561280 AVYPKYGRKYPXPA-OAHLLOKOSA-N 402.834 3.408 0 40 HGAB COc1ccc(-c2nc(CC(=O)O[C@@H](C)C(=O)Nc3cc(C)on3)cs2)cc1 27072958 ACNHVJKYKJPHSA-LBPRGKRZSA-N 401.444 3.228 0 40 HGAB Cc1cccc(N2CCN(CC[C@@H](C)NS(=O)(=O)c3ccc(F)cc3)CC2)c1 30439717 RSBUOPOAZIJASR-GOSISDBHSA-N 405.539 3.013 0 40 HGAB CCOc1ccccc1CNC(=O)[C@H](C)N(c1ccc(Cl)cc1)S(C)(=O)=O 30752901 SCOWLGNKNJSBBQ-AWEZNQCLSA-N 410.923 3.210 0 40 HGAB O=C(NCc1ccc(Cn2cncn2)cc1)NCc1cccnc1OC1CCCC1 31104209 VOZLMUKJNIDFBK-UHFFFAOYSA-N 406.490 3.042 0 40 HGAB O=S1(=O)C[C@@H]2[C@H](C1)N=C(SCCOc1ccccc1)N2c1ccc(F)cc1F 32640641 ZAEHPXWIIWFJTB-FUHWJXTLSA-N 424.494 3.119 0 40 HGAB O=C1/C(=C/c2cnn(-c3ccccc3)n2)c2ccccc2C(=O)N1Cc1ccccn1 32674143 SIUBTFMOZBBISG-HYARGMPZSA-N 407.433 3.386 0 40 HGAB COc1ccccc1-c1nn(Cc2ccccc2)cc1C(=O)O[C@H]1C[C@H](C)OC1=O 32736716 LSZMRYATXXLKBB-YWZLYKJASA-N 406.438 3.468 0 40 HGAB Cc1ccc(-c2nnc(CCC(=O)OCc3cc(=O)n4cc(Cl)ccc4n3)o2)cc1 32777468 DMTVVORGOKRLBJ-UHFFFAOYSA-N 424.844 3.382 0 40 HGAB Cc1ccccc1[C@@H](OC[C@H](O)Cn1nnc2ccccc2c1=O)c1ccccc1 32854263 KUOSGMFIVABBON-XXBNENTESA-N 401.466 3.267 0 40 HGAB CSCC[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N=c1[nH]c2ccccc2[nH]1 36584664 GUDUBGGNMWQXMM-INIZCTEOSA-N 408.483 3.221 0 40 HGAB COCC(=O)Nc1ccc(N[C@H](C)C(=O)Nc2ccc(Br)cc2)cc1 40062450 RZZCLDRBZASJRD-GFCCVEGCSA-N 406.280 3.473 0 40 HGAB CCc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(Nc4ccccc4)[nH]c(=O)c32)cc1 40399176 QRJVASPVDVWMLT-INIZCTEOSA-N 403.442 3.140 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)C2(c3ccccc3)CCOCC2)cc1 41749702 KHQPZKPNWNYFEX-UHFFFAOYSA-N 416.543 3.404 0 40 HGAB Cn1nnnc1-c1cccc(NC(=O)C2(c3ccc4c(c3)OCCO4)CCCC2)c1 43745186 VYLNPUUEESDAFB-UHFFFAOYSA-N 405.458 3.099 0 40 HGAB CCN(C(=O)CN1CCC(C(=O)NCCc2ccccc2F)CC1)c1ccccc1 47936599 OMOYYMKDTPLMRK-UHFFFAOYSA-N 411.521 3.250 0 40 HGAB COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2 48236907 WOEYAMBFSZDCAI-UKLHPKMBSA-N 416.562 3.042 0 40 HGAB CCN(CC)CCCNC(=O)c1nnn(-c2ccc(Br)c(C)c2)c1C 51317944 VDZHPRGMGGMUSX-UHFFFAOYSA-N 408.344 3.108 0 40 HGAB COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1Cc1noc(C(C)(C)C)n1 51532073 OMLITRWQTHYTQY-HNNXBMFYSA-N 403.479 3.047 0 40 HGAB O=C(CN1CCN(c2ccccc2F)CC1)Nc1ccc(Br)cc1F 54530037 MUAWAEQAMBJMIK-UHFFFAOYSA-N 410.262 3.488 0 40 HGAB CCc1ccccc1NC(=O)Cn1c(N2CCc3ccccc3C2)nc(C)cc1=O 57506481 XCMRRKWTJKHTLS-UHFFFAOYSA-N 402.498 3.316 0 40 HGAB COc1ccc(-c2ccc(=O)n(CC(=O)Nc3nc4c(s3)CCCCC4)n2)cc1 61721161 KSEBCAWJVLGROV-UHFFFAOYSA-N 410.499 3.283 0 40 HGAB O=C(CSc1ccncc1)N1CCC(c2nc(-c3ccc4c(c3)OCO4)no2)CC1 67205820 QDIDSVCAEZOIER-UHFFFAOYSA-N 424.482 3.359 0 40 HGAB O=C(CSc1nnc(NC(=O)c2cc(C3CC3)on2)s1)OCc1ccccc1 70635125 FSONBUTZGVXMRV-UHFFFAOYSA-N 416.484 3.491 0 40 HGAB COc1ccc(OC)c(-c2cc(C(=O)N3CCO[C@H](c4ccccc4)C3)n(C)n2)c1 77200739 SZEXADBBAGHZQM-QFIPXVFZSA-N 407.470 3.318 0 40 HGAB Cc1nc(-c2ccccn2)[nH]c(=O)c1CC(=O)Nc1nc(-c2ccccc2)cs1 95365165 SPRYRUKTUKAZJK-UHFFFAOYSA-N 403.467 3.445 0 40 HGAB CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)NCC1(c3cccs3)CCOCC1)C(=O)C2 96120245 HSBXXXDBUFGHOQ-FOIQADDNSA-N 411.589 3.111 0 40 HGAB CS(=O)(=O)n1c(C(=O)NCc2ccccn2)cc2c1c1ccccc1n2CC1CC1 96146468 ZMYHMCAICQCSLR-UHFFFAOYSA-N 422.510 3.139 0 40 HGAB Cc1ccc(N2C(=O)[C@@H]3[C@@H](N=NN3CC(=O)Nc3ccc(C(C)C)cc3)C2=O)cc1 100033076 AVYDVNCKZDPXGU-UXHICEINSA-N 405.458 3.050 0 40 HGAB COc1ccc2c(c1)O[C@]1(C[C@@H]3CC[C@@H]1C[C@@H]3C(=O)NCc1ccc(F)cc1)NC2=O 100181591 NNELNDWZICFSLK-BCGPCHPTSA-N 424.472 3.405 0 40 HGAB CCCCOC(=O)[C@@H]1[C@@H]2C=C[C@]3(CN(c4ccccc4Br)C(=O)[C@H]13)O2 101024595 MHDKNIXLWMBFDU-CYJAXWMASA-N 406.276 3.079 0 40 HGAB C[C@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCC1)[C@@H]1C[C@H]2CC[C@H]1C2 103442113 DKAISZHYNUYTJS-DWRORGKVSA-N 419.591 3.092 0 40 HGAB COc1ccc(OC)c(N([C@@H](C)C(=O)Nc2cc(C)ccc2C)S(C)(=O)=O)c1 220205711 CBSKSKIGLIXVNJ-HNNXBMFYSA-N 406.504 3.114 0 40 HGAB Cc1ccccc1N(CC(=O)NCCOc1ccccc1C(C)(C)C)S(C)(=O)=O 223677609 IXOYCAVUJMZYEP-UHFFFAOYSA-N 418.559 3.254 0 40 HGAB CCn1c(=O)sc2cc(NC(=O)c3ccc(N(C)S(C)(=O)=O)c(C)c3)ccc21 225119654 CEXXUNIPVSWCLM-UHFFFAOYSA-N 419.528 3.039 0 40 HGAB COc1ccc(S(=O)(=O)N[C@H](C)c2ccc(C)c(C)c2)cc1N1C(=O)CCC1=O 225261265 LSCSUJSZPGECHL-OAHLLOKOSA-N 416.499 3.005 0 40 HGAB CCOc1ccc(N([C@@H](C)C(=O)N2c3ccccc3C[C@H]2C)S(C)(=O)=O)cc1 248376742 DMOOHHQTAWCVQX-CVEARBPZSA-N 402.516 3.218 0 40 HGAB O=c1c(=Cc2cccc(Br)c2)sc2nc(-c3ccc(F)cc3)nn12 254339460 BXDSVKOXONFJKM-UHFFFAOYSA-N 402.248 3.267 0 40 HGAB CNc1cc(C(=O)N2CCO[C@@H](c3ccc(Nc4ccc(F)cn4)cn3)C2)ccn1 257203102 AOSGESBZGJYJQQ-GOSISDBHSA-N 408.437 3.010 0 40 HGAB CC1(C)Cc2cccc(OCC(=O)N3CC[C@H](Oc4ccccc4)[C@@](C)(O)C3)c2O1 257245066 INYWSGUVWXHQSU-RDPSFJRHSA-N 411.498 3.210 0 40 HGAB Cc1ccc(N([C@H](C)C(=O)N[C@H](C)COc2ccccc2C)S(C)(=O)=O)cc1 260455436 PRXZYWFDFOCIKJ-QZTJIDSGSA-N 404.532 3.042 0 40 HGAB COc1ncccc1CN1CCC(n2cnc3ncc(-c4cccnc4)nc32)CC1 306123485 AORAJCLQJWXOCF-UHFFFAOYSA-N 401.474 3.129 0 40 HGAB Cc1ccc2c(c1)CC[C@H](C(=O)NCCCNC(=O)[C@H]1CCc3cc(C)ccc3O1)O2 581658935 SWVPLIXDZOLUMQ-DHIUTWEWSA-N 422.525 3.013 0 40 HGAB CC(C)(C)c1nccc(C[C@@H]2[C@@H](CO)[C@H](O)C[C@H]2NCc2ccccc2Cl)n1 604382575 SIUBPWDCQQGURL-HNBVOPMISA-N 403.954 3.118 0 40 HGAB biogenic,in-vitro CC(C)NC(=O)c1nnc(N(C)CC2CCOCC2)n1CCc1c[nH]c2ccccc12 1509603792 PKUDVWLKAOBRPZ-UHFFFAOYSA-N 424.549 3.003 0 40 HGAB O=C(O)CCC/C=C/C[C@@H]1[C@@H](O)C[C@@H](O)[C@H]1/C=C\[C@H](O)COc1cccc(Cl)c1 1529036069 VJGGHXVGBSZVMZ-PADLECGTSA-N 424.921 3.195 0 40 HGAB COc1cc(OC)cc(C(=O)N2CCC3(CC2)Cc2ccccc2CN(C)C3=O)c1 1565550833 GPPZWOWQKDUAGY-UHFFFAOYSA-N 408.498 3.141 0 40 HGAB O=C(c1cc(=O)c(OCc2ccc(F)cc2)co1)N1CCC(Nc2ccccn2)CC1 1644891145 IRHIKQXMHYILLB-UHFFFAOYSA-N 423.444 3.470 0 40 HGAB COc1ccc2c(=O)n(CC3CCN(c4cc(C)nc(C5CC5)n4)CC3)cnc2c1 1889211605 UATFXTVYXFPIKQ-UHFFFAOYSA-N 405.502 3.298 0 40 HGAB CS(=O)(=O)N1CCc2cc(-c3csc(NC(=O)Cc4cccs4)n3)ccc21 1366016 UDHYAXRFPGGNHA-UHFFFAOYSA-N 419.553 3.375 0 40 HGAB CC(C)(C)c1ccc([C@@]2(C)NC(=O)N(CC(=O)N3CCc4ccccc43)C2=O)cc1 2622097 SIXONSIBGXTMKY-XMMPIXPASA-N 405.498 3.340 0 40 HGAB CCOC(=O)COc1cccc2c(=O)n(CC(=O)Nc3cc(C)ccc3C)ccc12 2712209 VTVGGSRHSOWLKP-UHFFFAOYSA-N 408.454 3.199 0 40 HGAB CCOc1ccccc1C(=O)Nc1c2c(nn1-c1ccc(OC)cc1)C[S@](=O)C2 2724876 WXLIXYVNZZCUIV-LJAQVGFWSA-N 411.483 3.294 0 40 HGAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)CSc1nncn1C 3396697 DQIXYMBNFJPPFU-UHFFFAOYSA-N 402.501 3.451 0 40 HGAB O=C(COc1ccc(Br)cc1F)Nc1ccccc1N1CCOCC1 3404191 JWOVAYGHWLCZDG-UHFFFAOYSA-N 409.255 3.442 0 40 HGAB CCCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(Br)c(O)c(OC)c1 4083948 URQLQQGENCGBLP-AWEZNQCLSA-N 413.268 3.135 0 40 HGAB COc1ccccc1CCNC(=O)Cc1c(C)c2cc(OC)c(OC)cc2oc1=O 4743071 NJDYTGWKTBBXCB-UHFFFAOYSA-N 411.454 3.029 0 40 HGAB Cc1cccc(N2CCN(C(=O)CCCn3cnc4ccccc4c3=O)CC2)c1C 6659916 ODHVWGXUVUFBDD-UHFFFAOYSA-N 404.514 3.142 0 40 HGAB Cc1cc(S(=O)(=O)Nc2ccccc2)ccc1OCC(=O)NCc1ccccc1 7361685 CWBXPMRTBBSVDW-UHFFFAOYSA-N 410.495 3.491 0 40 HGAB Cn1cnnc1SCC(=O)Nc1ccc(C(=O)N[C@H]2CCCc3ccccc32)cc1 7435408 QXFALIPGNHOJEA-IBGZPJMESA-N 421.526 3.353 0 40 HGAB O=C1CN(C(=O)CNc2ccccc2C(=O)Nc2ccc(F)cc2)c2ccccc2N1 8194046 GIUSUVBRRZZZAN-UHFFFAOYSA-N 418.428 3.475 0 40 HGAB Cc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)c(C)c1 8369083 XKZMPYLAXXWHGL-OAHLLOKOSA-N 400.862 3.492 0 40 HGAB CCOc1ccc(-n2nc(C(=O)NCCOC)nc2-c2cccc(Cl)c2)cc1 8476387 QFUUMJJBBYMZQD-UHFFFAOYSA-N 400.866 3.363 0 40 HGAB CC(=O)Nc1cccc(NC(=O)CCCN(c2cccc(C)c2)S(C)(=O)=O)c1 8493338 DHUMSYLTKIBEAB-UHFFFAOYSA-N 403.504 3.138 0 40 HGAB O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)N1CCN(c2ccc(F)cc2)CC1 8622004 MBQAEIOJFIFUGY-UHFFFAOYSA-N 417.790 3.008 0 40 HGAB COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2Cl)c(F)c1 8810474 WDGNGMGEGIMBNH-NSHDSACASA-N 400.859 3.045 0 40 HGAB O=C(O[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1)c1cccc(-n2cnnn2)c1 8824276 VTOQYIIKZQUMRZ-HXUWFJFHSA-N 417.400 3.338 0 40 HGAB COc1ccc(C(=O)N[C@H](C)c2ccccc2)cc1S(=O)(=O)N1CCCCC1 9063748 CBTGOVDZPYVZIO-MRXNPFEDSA-N 402.516 3.361 0 40 HGAB O=C(CCNS(=O)(=O)c1ccccc1)N1CCC[C@H]1c1nc2ccccc2s1 9256446 IQEUPAFGAYZDSG-KRWDZBQOSA-N 415.540 3.328 0 40 HGAB O=C1CN(C(=O)NCCCC(=O)N[C@H]2CCCc3ccccc32)c2ccccc2N1 9418708 YZNUUXFQTOWICD-SFHVURJKSA-N 406.486 3.129 0 40 HGAB O=C(Nc1ccc2c(c1)OCCCO2)c1ccccc1S[C@@H]1CCS(=O)(=O)C1 9448733 KKJGFKIAYRTGDL-OAHLLOKOSA-N 419.524 3.379 0 40 HGAB O=C(Nc1ccc2c(c1)OCCCO2)c1ccccc1S[C@H]1CCS(=O)(=O)C1 9448737 KKJGFKIAYRTGDL-HNNXBMFYSA-N 419.524 3.379 0 40 HGAB O=c1c(Cc2ccccc2)c(N2CCN(c3ccccc3)CC2)nc2n1CCS2 9449507 MFPVEQNUBYZKBB-UHFFFAOYSA-N 404.539 3.266 0 40 HGAB CCCn1nc(C(=O)OCc2nc(-c3cccc(OC)c3)no2)c2ccccc2c1=O 9452009 SMCOXYIQOTZESM-UHFFFAOYSA-N 420.425 3.222 0 40 HGAB O=C1c2ccccc2N2C(=O)CC[C@@]2(C(=O)Nc2ccccc2)N1Cc1ccco1 9834643 HECHWGIIUXCQHD-HSZRJFAPSA-N 401.422 3.397 0 40 HGAB CN(C)[C@H](CNS(=O)(=O)c1ccc2c(c1)OCCO2)c1cccc2ccccc12 10335613 VUEHWZKRSUZDKD-HXUWFJFHSA-N 412.511 3.192 0 40 HGAB COc1ccc(NC(C)=O)cc1NC(=O)[C@H]1CCCN1c1ncnc2ccccc12 11250179 QFMARQMIILODOC-LJQANCHMSA-N 405.458 3.204 0 40 HGAB CNS(=O)(=O)c1cc(C(=O)N(Cc2ccc(OC)cc2)C2CC2)cc(C)c1C 12767364 YNVAPTKNFCHSCI-UHFFFAOYSA-N 402.516 3.025 0 40 HGAB C[C@]1(c2ccc3c(c2)OCCCO3)NC(=O)N(C[C@@H](O)c2ccc(Cl)cc2)C1=O 12817675 GULFYGKSRHBHRX-IIBYNOLFSA-N 416.861 3.002 0 40 HGAB COc1ccc([C@H](C(=O)NCc2ccccc2)N(C(=O)c2csnn2)C2CC2)cc1 12872963 LXGNPBHPHWCYQO-HXUWFJFHSA-N 422.510 3.209 0 40 HGAB COC(=O)[C@@H]1CN(C(=O)c2ccc(Cl)c(N3CCCC3=O)c2)c2ccccc2O1 13001384 MQFWHDIYHNYBII-SFHVURJKSA-N 414.845 3.048 0 40 HGAB CN1C(=O)/C(=C(\Sc2nnc3c(n2)[nH]c2ccccc23)C(=O)O)c2ccccc21 13750503 BPCINOYEAXFALS-PEZBUJJGSA-N 403.423 3.071 0 40 HGAB C[C@H](NC(=O)[C@H](C)N1CCC(C(=O)Nc2ccccc2O)CC1)c1ccc(F)cc1 15043767 YHUZNBCTZHINTR-HOTGVXAUSA-N 413.493 3.448 0 40 HGAB NS(=O)(=O)c1ccc(Br)c(C(=O)Nc2cccc(C(F)(F)F)c2)c1 15418764 KSQWQUDMSMCOSK-UHFFFAOYSA-N 423.210 3.368 0 40 HGAB COC(=O)c1c(SCC(=O)Nc2ccc(F)cc2F)[nH]c2ccccc2c1=O 15731482 UDMJPJNRKGDQNL-UHFFFAOYSA-N 404.394 3.324 0 40 HGAB CCOc1ncccc1C(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1 17861187 OKSWJFOYQZFVIN-IYBDPMFKSA-N 417.531 3.399 0 40 HGAB Cc1ccc2c(c1)c(=O)cc(C(F)(F)F)n2CCNC(=O)c1ccc2c(c1)OCO2 19219981 IUBCOASTGIGDMK-UHFFFAOYSA-N 418.371 3.487 0 40 HGAB CCOC(=O)c1cc(Cl)cnc1C1CCN(C(=O)c2cnc(SC)nc2)CC1 19530758 BBOMDZXNHIYWIR-UHFFFAOYSA-N 420.922 3.443 0 40 HGAB COc1cccc(OC)c1C(=O)N1CC[C@@H](c2ccc3c(NC(C)C)n[nH]c3n2)C1 19705028 NSZCAMDPRFMJJQ-CQSZACIVSA-N 409.490 3.425 0 40 HGAB COc1ccc(-c2cc3ncnc(NNC(=S)NC[C@H]4CCCO4)c3s2)cc1 19797149 QLROVPDOANJAIC-CQSZACIVSA-N 415.544 3.337 0 40 HGAB OCCN1CCN(CCn2c(-c3ccc(Cl)cc3)cn3c4ccccc4nc23)CC1 19854845 IAXMSYQYQQSZTM-UHFFFAOYSA-N 423.948 3.219 0 40 HGAB Cc1cc(S(=O)(=O)N(C)C)ccc1OCC(=O)N[C@@H](C)c1ccc(Cl)cc1 20022619 NYHQPJXBGKTSGW-AWEZNQCLSA-N 410.923 3.155 0 40 HGAB CN(C)S(=O)(=O)N(CC(=O)Nc1cccc(C(F)(F)F)c1)c1ccc(F)cc1 20245085 KKXRQUBMPGBOHB-UHFFFAOYSA-N 419.400 3.096 0 40 HGAB COCC(=O)N1CCCc2ccc(NS(=O)(=O)Cc3ccc(Cl)cc3)cc21 21756937 WPFKTPAFSPWUHW-UHFFFAOYSA-N 408.907 3.208 0 40 HGAB CCc1ccccc1NC(=O)c1cc(OC)c(OC)cc1N(CC)S(C)(=O)=O 22251889 HOGOTGOMNDTDIQ-UHFFFAOYSA-N 406.504 3.304 0 40 HGAB CC(C)Oc1ccc(N(CC(=O)N[C@@H](C)c2ccc(F)cc2)S(C)(=O)=O)cc1 22397734 HOKSUBIWOURPIW-HNNXBMFYSA-N 408.495 3.256 0 40 HGAB CCC[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccn(C)c2)CC1)c1ccccc1 24835418 BTKOSHDUIOMZRE-FQEVSTJZSA-N 403.548 3.083 0 40 HGAB CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cnn(C)c2)c1 25311067 BCTADGHGLYEMEL-UHFFFAOYSA-N 422.869 3.290 0 40 HGAB C[C@H](NC(=O)c1ccccc1S[C@H]1CCS(=O)(=O)C1)c1ccc2c(c1)OCO2 27687774 GRFYFSRQGXYZNJ-ZFWWWQNUSA-N 419.524 3.186 0 40 HGAB Cc1ccccc1OCC(=O)NC[C@@H](c1ccc(Cl)cc1)N1CCN(C)CC1 27793298 WVMUIGIBPLKRIR-FQEVSTJZSA-N 401.938 3.132 0 40 HGAB COc1cc(CC(=O)Nc2ccc(NC(=O)[C@@H]3CCCO3)cc2)cc(OC)c1OC 30175733 LNMDWTPYNXSZLF-KRWDZBQOSA-N 414.458 3.011 0 40 HGAB CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1cccc(C(=O)N2CCCC2)c1 30479825 KRJMROWXCKNTTN-QFIPXVFZSA-N 418.497 3.090 0 40 HGAB COc1ccccc1N1C(SCc2cccc(F)c2)=N[C@@H]2CS(=O)(=O)C[C@@H]21 32639852 OPNUPEKGGCYBGE-WBVHZDCISA-N 406.504 3.109 0 40 HGAB COc1ccc(OCCNC(=O)c2cn(C)nc2-c2ccc3c(c2)OCCCO3)cc1 32772431 IORAQMWLAHOWEQ-UHFFFAOYSA-N 423.469 3.066 0 40 HGAB NC(=O)C1CCN(C(=O)c2cccnc2Sc2ccc(Br)cc2)CC1 33002165 IHKQOFHBWKGAOQ-UHFFFAOYSA-N 420.332 3.333 0 40 HGAB COc1ccc(-c2ccnc3cc(C(=O)NCC(C)(C)N4CCCCC4)nn23)cc1 35316665 MTWIKJYSHMANMU-UHFFFAOYSA-N 407.518 3.399 0 40 HGAB COc1ccc(NC(=O)CCC(=O)N2CCc3[nH]c4ccc(OC)cc4c3C2)cc1 36369962 UUYNMSDIEKLUBL-UHFFFAOYSA-N 407.470 3.489 0 40 HGAB biogenic CCS(=O)(=O)Nc1cccc(C(=O)Nc2ccccc2C(=O)N2CCCCC2)c1 36392722 FULUSCZRFOYGGL-UHFFFAOYSA-N 415.515 3.327 0 40 HGAB COc1cc(NC(=O)C(=O)c2ccc(C)cc2)c(C(=O)N2CCCCC2)cc1OC 40087629 FUIVCISSVHYDKR-UHFFFAOYSA-N 410.470 3.460 0 40 HGAB CCCNC(=O)C1CCN([C@H](C)C(=O)Nc2ccc(Br)cc2F)CC1 42686653 SNWOTQRUTFOBHQ-GFCCVEGCSA-N 414.319 3.153 0 40 HGAB CSc1ccc(-c2noc(Cn3nc4ccc(-c5ccccc5)nn4c3=O)n2)cc1 49399453 GMKAPWKVKPDNME-UHFFFAOYSA-N 416.466 3.378 0 40 HGAB CN(C)c1nn(CC(=O)NCc2ccc3c(c2)OCO3)cc1-c1ccc(Cl)cc1 62007005 BOYJHRJTBITZGK-UHFFFAOYSA-N 412.877 3.315 0 40 HGAB COc1cccc(C(=O)Nc2cc(C)nn2CCOC(=O)c2cccc(OC)c2)c1 65553392 GLVYZRFENBOONY-UHFFFAOYSA-N 409.442 3.318 0 40 HGAB CC(=O)Nc1cccc(NC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2C(C)C)c1 67236137 UFFDMOXPFYRGNI-UHFFFAOYSA-N 413.503 3.303 0 40 HGAB Cc1ccc(NC(=O)CN2C(=O)N[C@H](c3cc(C)ccc3C)C3=C2COC3=O)c(C)c1 67288733 QODQCQCQKCLVAW-JOCHJYFZSA-N 419.481 3.436 0 40 HGAB CCc1ccccc1NC(=O)c1nnn(CC(=O)Nc2ccc(OC)c(OC)c2)c1C 67322893 YGWYIZFDLPRZIT-UHFFFAOYSA-N 423.473 3.057 0 40 HGAB CCCCCn1nc(C(=O)Nc2cc(C(=O)OCC)n(C)c2)c2ccccc2c1=O 72304378 FCYNIJKENZTYKI-UHFFFAOYSA-N 410.474 3.354 0 40 HGAB CCOC(=O)[C@H]1Oc2c(c(=O)oc3ccccc23)[C@@H]1c1sc(N(C)C)nc1C 79190392 DZKUOXUUBOVHFI-BBRMVZONSA-N 400.456 3.080 0 40 HGAB biogenic COc1ccc2cc(C(=O)NCCc3nc(-c4ccccc4)nn3C)c(C)nc2c1 95453063 MWQGBYPEBYLIBB-UHFFFAOYSA-N 401.470 3.320 0 40 HGAB CC(=O)NCCN(C(=O)[C@H](C)SCc1ccccc1)[C@@H](C)C(=O)OC(C)(C)C 96004663 CUQHOPUMWHUCOH-HOTGVXAUSA-N 408.564 3.003 0 40 HGAB O=C(C[C@H]1CC2(CCN(C(=O)c3cccnc3)CC2)Oc2ccccc21)NC1CC1 96053443 KAJYGYOKWZWNPK-SFHVURJKSA-N 405.498 3.291 0 40 HGAB COc1ccc(CC(=O)NC[C@H]2CC[C@H](c3n[nH]c4nccnc43)CC2)cc1OC 100213861 GQSPWHXOCVYVKS-FZNQNYSPSA-N 409.490 3.003 0 40 HGAB CC1(C)[C@@H]2CC[C@@]1(C)C(=O)N(CCCCN1C(=O)[C@@H]3CC[C@@](C)(C1=O)C3(C)C)C2=O 100737460 FTDYMXHCUFFFRQ-UYADZXDASA-N 416.562 3.389 0 40 HGAB O=C(NC1CC1)c1c(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2CC3)sc2c1CCCC2 102339679 UNFDFCNSHHFYHV-NQERCMRGSA-N 414.527 3.371 0 40 HGAB COc1cccc(C2=NO[C@@H]3C(=O)N(c4ccc(Cl)cc4Cl)C(=O)[C@@H]23)c1OC 102558973 SDEUKQBEQZDDCN-YOEHRIQHSA-N 421.236 3.303 0 40 HGAB CSCC[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N1C[C@@H](C)O[C@H](C)C1 108322133 WGAAIXPZHBSAAV-HSMVNMDESA-N 419.374 3.481 0 40 HGAB Cc1cccc(CNC(=O)COc2ccc(S(=O)(=O)N3CCCCCC3)cc2)c1 222749441 DGHYQKAGWOJBGJ-UHFFFAOYSA-N 416.543 3.255 0 40 HGAB CC[C@H](C(=O)NCCOc1ccccc1C)N(c1cccc(Cl)c1)S(C)(=O)=O 224301154 VXMDMSONEZTOBE-GOSISDBHSA-N 424.950 3.388 0 40 HGAB Cc1cccc(N(CC(=O)Nc2ccc(N3CCCC3)cc2)S(C)(=O)=O)c1C 224905820 ASDSPCCGKJUEOQ-UHFFFAOYSA-N 401.532 3.308 0 40 HGAB CCc1ccc(CC)c(CNC(=O)CN(Cc2ccc(C)cc2)S(C)(=O)=O)c1 224942704 BBEKVPDLIQJZHW-UHFFFAOYSA-N 402.560 3.198 0 40 HGAB COc1ccc(NC(=O)[C@]2(C)CCCN(c3ccccc3)S2(=O)=O)c(OC)c1 225951146 SMDMZGJNUFCKCM-FQEVSTJZSA-N 404.488 3.031 0 40 HGAB CC(C)(C)OC(=O)N1CCC2(C1)CC(NC(=O)OCc1ccccc1)(C(=O)O)C2 306145330 BOVFZWMJUDTYAY-UHFFFAOYSA-N 404.463 3.157 0 40 HGAB CS(=O)(=O)N(CC(=O)Nc1ccc(C(F)(F)F)cc1)c1ccc(F)c(F)c1 408680243 QGZOHCDVOXGXMP-UHFFFAOYSA-N 408.348 3.388 0 40 HGAB Cc1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccc(F)cc3)[C@H]2c2ccccc2)cc1 409052397 DOUKIGIQNHZFPB-KSYIGNPDSA-O 402.449 3.150 0 40 HGAB C[C@@H](NC(=O)c1ccc(S(N)(=O)=O)cc1Cl)c1cccc(N2CCCC2)c1 540588133 YVIUUAJWRQTAQG-CYBMUJFWSA-N 407.923 3.079 0 40 HGAB CN(C)c1nc2cc(-c3noc(Cn4cc(C(N)=O)c5ccccc54)n3)ccc2o1 546533347 KESCIVCKRNZOLZ-UHFFFAOYSA-N 402.414 3.046 0 40 HGAB Cc1cccc(CO[C@@H]2CCOC3(C2)CN(C(=O)c2ccc4c(ccn4C)c2)C3)n1 575406684 ZTMVJVBAXAXBHL-OAQYLSRUSA-N 405.498 3.472 0 40 HGAB C[C@@H]1CCS(=O)(=O)CCN1C(=O)c1cnc(-c2ccc(C(F)(F)F)cc2)s1 683344310 ROXUAVKNDAFJEY-LLVKDONJSA-N 418.462 3.478 0 40 HGAB CCc1c(C(=O)N(C)CC(=O)Nc2cccc(Cl)c2)nnn1Cc1ccccc1 1532211849 XCOWOVNDMTYKLH-UHFFFAOYSA-N 411.893 3.253 0 40 HGAB CCOc1ccc(S(=O)(=O)NCCc2ccc(-c3ccnn3C)cc2)cc1F 1889302519 AOEVHIQKOTVVIH-UHFFFAOYSA-N 403.479 3.146 0 40 HGAB Cc1cccc(C(=O)N2CC[C@@H]3[C@@H](CC=CCc4ccccc4OCC(=O)N3C)C2)n1 2037818656 FSVHZMYLDYAQSG-RBBKRZOGSA-N 419.525 3.261 0 40 HGAB Cc1nc(N2CCN(c3cccc(-n4ccnc4C)n3)CC2)cc(C(F)(F)F)n1 2298066441 CDRZERSOMYVPRM-UHFFFAOYSA-N 403.412 3.020 0 40 HGAB O=C(NCCCO)/C(=C/c1ccccc1)NC(=O)C(c1ccccc1)c1ccccc1 1789793 GUHVDSBBIAUFPJ-NMWGTECJSA-N 414.505 3.474 0 40 HGAB Nc1c(C(=O)NCc2cccs2)c2nc3ccccc3nc2n1C[C@H]1CCCO1 2245249 JMJFIILCJHRFRR-CYBMUJFWSA-N 407.499 3.337 0 40 HGAB Cc1cc(C)n(-c2ccc(C(=O)O[C@H](C)C(=O)NCc3ccc4c(c3)OCO4)cc2)n1 2656667 VMMJUNLDFPARHF-MRXNPFEDSA-N 421.453 3.080 0 40 HGAB O=C(CSc1nc2c(c(=O)n1-c1ccccc1)SCC2)Nc1nccs1 2719690 QAFGBFIEKQQDEO-UHFFFAOYSA-N 402.526 3.068 0 40 HGAB COc1ccc(C(=O)COC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccco2)cc1 2937335 SLHCBQZPIUBKAR-IBGZPJMESA-N 407.422 3.055 0 40 HGAB CCCCOc1ccc(-c2nnn(CC(=O)Nc3ccc(OC)cc3OC)n2)cc1 4130069 MHHUSJCGULUBRX-UHFFFAOYSA-N 411.462 3.175 0 40 HGAB CC[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2sccc2C(N)=O)cc1 4275776 BCHKYNDIEQITHI-AWEZNQCLSA-N 421.544 3.053 0 40 HGAB CCc1cccc(C)c1NC(=O)COC(=O)CCS(=O)(=O)c1ccc(C)cc1 4285388 SGTJBIFYGXNEGH-UHFFFAOYSA-N 403.500 3.212 0 40 HGAB CCOC(=O)Cc1csc(NC(=O)CSc2nnc(-c3ccc(C)cc3)o2)n1 4353933 RZNANQTUSXLYPY-UHFFFAOYSA-N 418.500 3.338 0 40 HGAB C/C=C/c1ccc(OCC(=O)OCc2nc(N)nc(Nc3ccccc3)n2)c(OC)c1 5260070 UZHJPKCGQNKGPL-XVNBXDOJSA-N 421.457 3.361 0 40 HGAB CCOc1ccc(NC(=O)COC(=O)c2c(OC)cccc2OC)cc1OCC 5538033 VBKPHSHOSRCSQK-UHFFFAOYSA-N 403.431 3.297 0 40 HGAB CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NC3CCCC3)cc2)cc1 5980421 MMSNJOCIBPUURG-UHFFFAOYSA-N 418.515 3.324 0 40 HGAB CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1ccc2c(c1)OCO2 6249585 UGVWTXOAHZUGTC-UHFFFAOYSA-N 414.458 3.302 0 40 HGAB CC1CCN(S(=O)(=O)c2csc(C(=O)Nc3ccccc3C(=O)O)c2)CC1 6680654 OCQDNXXHSYUDNW-UHFFFAOYSA-N 408.501 3.119 0 40 HGAB CCCCNC(=O)Cn1c(=O)n(-c2ccc(C)c(C)c2)c(=O)c2c(C)c(C)sc21 6815749 XGDMTYFZKVTFEN-UHFFFAOYSA-N 413.543 3.364 0 40 HGAB Cc1cc(C(=O)O[C@H](C)C(=O)c2ccc(NS(C)(=O)=O)cc2)c(C)n1C1CC1 7227534 GBHHMJPZQFVHSI-CQSZACIVSA-N 404.488 3.240 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(Cl)ccc3F)CC2)cc1C 7959309 QXPZSSFJIIWLQY-UHFFFAOYSA-N 410.898 3.243 0 40 HGAB CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)c2ccccc2Br)cc1 8088473 SNJJJEFHPGRXGL-LBPRGKRZSA-N 411.321 3.238 0 40 HGAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)c(C)c1 8480884 LCWZKJLLOUUPSQ-KRWDZBQOSA-N 402.516 3.494 0 40 HGAB COc1ccc(-c2nonc2NC(=O)COc2c(F)c(F)c(F)c(F)c2F)cc1 8916493 CAFALZMLDWMSLK-UHFFFAOYSA-N 415.274 3.458 0 40 HGAB COc1ccc(-c2cc3c(=O)n(CC(=O)N4CCCc5ccccc54)ccn3n2)cc1 9321158 QETGEVVCNIAJDW-UHFFFAOYSA-N 414.465 3.151 0 40 HGAB COc1ccc([C@H]2CCCCCN2C(=O)CNC(=O)c2ccc3c(c2)OCO3)cc1 9449756 YJFIFHQEEQXDBM-LJQANCHMSA-N 410.470 3.298 0 40 HGAB CCN1CCN(c2ccc(NC(=O)CCCNC(=O)c3ccsc3)cc2)CC1 11948908 GVQZIZZZCHCHJU-UHFFFAOYSA-N 400.548 3.039 0 40 HGAB COc1ccccc1C1(NC(=O)CCCC[C@@H]2SC[C@H]3NC(=O)N[C@@H]32)CCCC1 12155247 QSLXFXJIPLJSOQ-KPFFTGBYSA-N 417.575 3.307 0 40 HGAB Cc1cc(C(F)(F)F)n2nc([C@@H]3CCCCN3C(=O)CCn3ccnc3)cc2n1 12221497 SQABXZJUFRJWSF-HNNXBMFYSA-N 406.412 3.397 0 40 HGAB Cc1ccc(Nc2nn(CN(C)[C@@H]3CCS(=O)(=O)C3)c(=S)s2)cc1Cl 12866384 ZGJJIEGDUJVCKE-GFCCVEGCSA-N 418.997 3.456 0 40 HGAB O=C(CCCNC(=O)NC1CCCCC1)NCCc1cc(Cl)c2c(c1)OCCO2 12870790 XUFKFUDLVUWKAN-UHFFFAOYSA-N 423.941 3.182 0 40 HGAB CCCN(CC(=O)Nc1ccccc1C)C(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 12934583 VNKDBYWHKRYHHW-FQEVSTJZSA-N 407.514 3.221 0 40 HGAB O=C(c1cc(Cl)cc(Cl)c1)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 12936031 OCHGMGQNAHAUOU-UHFFFAOYSA-N 423.325 3.021 0 40 HGAB O=C(CSc1nc2[nH]c(=O)cc(O)c2s1)Nc1cccc(Br)c1 13568698 IAGAWLRSRNLVMB-UHFFFAOYSA-N 412.290 3.184 0 40 HGAB Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)N3CCC[C@H](C)C3)Oc3ccccc32)cc1 13648027 KBSYRVHXHXBSKP-LAUBAEHRSA-N 414.527 3.210 0 40 HGAB CCN(CC)C(=O)[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1 13678772 GNOGJRAVPHLHFU-GOSISDBHSA-N 408.907 3.165 0 40 HGAB O=C(NCCNC(=O)c1cccc(C(F)(F)F)c1)c1ccc(NC(=O)C2CC2)cc1 13854748 XOJGAWVRTYTBIA-UHFFFAOYSA-N 419.403 3.214 0 40 HGAB O=C(CN1CCCCCC1=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 14119306 ARSDLNMLHDCHCM-UHFFFAOYSA-N 405.542 3.323 0 40 HGAB O=C(c1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCC[C@H](C(F)(F)F)C1 14184686 CJONVBLKYRENCK-HNNXBMFYSA-N 404.454 3.276 0 40 HGAB O=C(Cc1csc(-c2ccccn2)n1)Nc1ccccc1C(=O)NC[C@H]1CCCO1 15639225 KIRUMDLKVSUOTB-MRXNPFEDSA-N 422.510 3.295 0 40 HGAB C[C@@H]1CS(=O)(=O)N(c2ccc(C(=O)NCCC3=CCCCC3)c(Cl)c2)C1=O 15858307 KFDJVMQZYILAEF-CYBMUJFWSA-N 410.923 3.273 0 40 HGAB CN1C(=O)N(C)C(=O)C2(Cc3ccc(F)cc3N3CC[C@H](c4ccccc4)C[C@@H]32)C1=O 16957471 GGMVVMZUTYGMMH-OXJNMPFZSA-N 421.472 3.171 0 40 HGAB Cc1nn(Cc2ccc(-c3nc4c5cn[nH]c5ncn4n3)cc2)c(C)c1Br 17093442 OKERXUSXLRZMPS-UHFFFAOYSA-N 423.278 3.292 0 40 HGAB CCOC(=O)C1CCN(C(=O)CCn2c(-c3ccc(C)cc3)n[nH]c2=S)CC1 17169931 XNNCZYJMCNFWIJ-UHFFFAOYSA-N 402.520 3.108 0 40 HGAB COc1ccc(N2C[C@H](C(=O)NCC3(c4cccc(C)c4)CCOCC3)CC2=O)cc1 19234533 ITUMTWXOEPOFQR-LJQANCHMSA-N 422.525 3.221 0 40 HGAB O=C(c1cccnc1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)CN(CC1CCCCC1)CC2 19337547 YCKXGBNOGUBPFC-NRFANRHFSA-N 421.545 3.081 0 40 HGAB CC(C)NC(=O)[C@]1(Cc2ccccc2-c2cncnc2)CCCN(C(=O)[C@H]2C[C@@H]2C)C1 19463121 NLHJBEISMOKLKT-PZGSVQSZSA-N 420.557 3.476 0 40 HGAB Cc1nonc1CC(=O)N1CCCC[C@@H]1c1nc(N(C)C)ncc1-c1ccc(F)cc1 19694310 WBBKMXGALBTLJT-LJQANCHMSA-N 424.480 3.336 0 40 HGAB CC(C)(C)c1ccc(C(=O)C[C@]2(O)C(=O)N(CN3CCOCC3)c3ccccc32)cc1 19890348 MFDYBPCKVDDNSI-RUZDIDTESA-N 422.525 3.081 0 40 HGAB COC(=O)c1c(NC(=O)[C@@H](c2ccccc2)N2CCOCC2)sc2c1CCC2 20226828 OBXQHWVANUDJHN-GOSISDBHSA-N 400.500 3.035 0 40 HGAB O=c1c2cnc3nc(-c4ccccc4Cl)nn3c2ccn1CCN1CCCCC1 20676959 IJZVIGIWFRXAEJ-UHFFFAOYSA-N 408.893 3.246 0 40 HGAB CCOc1ccc(C(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1C 20768428 SEWAOIOOOGWRNE-UHFFFAOYSA-N 402.516 3.108 0 40 HGAB C[C@H](CCc1ccccc1)NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 20898492 AHAKYIOGIVPLQR-LJQANCHMSA-N 414.571 3.366 0 40 HGAB CCOc1ccccc1N1CCN(C(=O)[C@H](NC(=O)C2CCCCC2)C(C)C)CC1 22242506 JLYZHQJIBHOBMH-JOCHJYFZSA-N 415.578 3.455 0 40 HGAB Cc1ccc(O[C@H](C)C(=O)N2CCN(Cc3nc(-c4cccs4)no3)CC2)cc1 22323671 JQCJMXBEYQIZMS-MRXNPFEDSA-N 412.515 3.218 0 40 HGAB Cc1ccc(OC[C@H](C)NC(=O)CN(c2cccc(Cl)c2C)S(C)(=O)=O)cc1 22337357 DMZQUQVYMCFJMH-HNNXBMFYSA-N 424.950 3.307 0 40 HGAB CC(C)Oc1ccc(N(CC(=O)N2CCCc3ccccc32)S(C)(=O)=O)cc1 22396193 NQEFOBPWCNHTFI-UHFFFAOYSA-N 402.516 3.219 0 40 HGAB C[C@@H]1C[C@H](OC[C@@H](O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)CC(C)(C)C1 22912792 DTSWGECSRZRXQY-GIVPXCGWSA-N 418.578 3.125 0 40 HGAB COc1ccc(NC(=O)c2ccc(CN3CCN(C[C@@H]4CCCO4)CC3)cc2)cc1 23761753 GSINNJPYHCFING-QHCPKHFHSA-N 409.530 3.244 0 40 HGAB C[C@H](C(=O)NC1CCCC1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 23816343 BELNTEGSYBRQSC-GFCCVEGCSA-N 404.864 3.323 0 40 HGAB O=C(c1c[nH]c2ccccc12)[C@H](c1ccccc1)N1CCN(C(=O)[C@H]2CCCO2)CC1 23882606 KACHAZHWXLYSEA-PKTZIBPZSA-N 417.509 3.415 0 40 HGAB O=C(c1cc(-c2cccnc2)nc2ccccc12)N1CCN(C[C@H]2CCCO2)CC1 23882803 ZQYRMILZAOFMPU-LJQANCHMSA-N 402.498 3.234 0 40 HGAB CCOC(=O)c1cnn(-c2ccc(NC(=O)c3cnccn3)cc2)c1C(F)(F)F 24948586 VEWKFJHZYQACIK-UHFFFAOYSA-N 405.336 3.110 0 40 HGAB Cn1ccnc1[C@H](NC(=O)CNC(=O)CC12CC3CC(CC(C3)C1)C2)c1ccccc1 24986668 SKWZADGXWFDZCY-OIBAJTQMSA-N 420.557 3.348 0 40 HGAB CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1cc(C2CC2)on1 26378832 IMZCXBKMFVWKOQ-UHFFFAOYSA-N 401.463 3.438 0 40 HGAB COc1ccc(C(=O)Nc2nc(-c3ccc(S(=O)(=O)N(C)C)cc3)cs2)cc1 27023584 HONXXESYZFZCJD-UHFFFAOYSA-N 417.512 3.321 0 40 HGAB COc1cccc(NC(=O)[C@@H](OC(=O)[C@@H]2CCCN(C(C)=O)C2)c2ccccc2)c1 29895740 ZAKRZIVHTOOOEW-NQIIRXRSSA-N 410.470 3.177 0 40 HGAB COc1ccccc1NC(=O)Cn1c(=O)n(-c2ccccc2)c(=O)c2cc(C)sc21 32093703 HNDFYDNVMAWKEJ-UHFFFAOYSA-N 421.478 3.170 0 40 HGAB CC(=O)c1cccc(N2C(SCc3cccc(C)c3)=N[C@@H]3CS(=O)(=O)C[C@@H]32)c1 32641224 UPKBFVVVOCADOS-UXHICEINSA-N 414.552 3.473 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)cc1OC 32876285 HQRAKJDKUTWMGT-AWEZNQCLSA-N 401.488 3.148 0 40 HGAB CC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)Cc3cccc(F)c3)CC2)cc1 32999640 UJPJCQYAGMTLJW-UHFFFAOYSA-N 404.507 3.025 0 40 HGAB Cc1ccc(CNC(=O)C2CCN(C(=O)C3C[C@@H]4CCC[C@H](C3)C4=O)CC2)cc1F 36392811 LFWLKMDWHNAMLQ-YOFSQIOKSA-N 414.521 3.384 0 40 HGAB O=C(COc1ccccc1-c1ccccc1)NCCCN1C(=O)NC2(CCCC2)C1=O 36719277 MEBCNDGTFHZSDS-UHFFFAOYSA-N 421.497 3.103 0 40 HGAB O=C(/C=C/c1ccc(Br)s1)Nc1cccc(CN2C(=O)CNC2=O)c1 40080659 GAQRJJFHADTKAO-FNORWQNLSA-N 420.288 3.214 0 40 HGAB CN(C)[C@H](CNC(=O)[C@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1)c1cccs1 40120002 NHVYILMJRIJWMW-PKOBYXMFSA-N 417.550 3.087 0 40 HGAB CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)CN1C(=O)COc2ccccc21 40142735 JQEZXAOGLWLDDD-QFIPXVFZSA-N 421.541 3.001 0 40 HGAB CCOc1ccccc1NC(=O)CN1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 40149626 ZCDSGXPRBZOTFC-UHFFFAOYSA-N 416.909 3.423 0 40 HGAB COc1ccc(-c2nnc3sc(NC(=O)COc4c(C)cccc4C)nn23)cc1 41076469 PCRLQUHMMWDNPB-UHFFFAOYSA-N 409.471 3.496 0 40 HGAB COC(=O)c1ccc(NC(=O)[C@@H]2CCCN(c3nc4ccccc4nc3OC)C2)cc1 44803522 ISFPAIAZRDSHOG-MRXNPFEDSA-N 420.469 3.280 0 40 HGAB CS(=O)(=O)c1ccc(CN2CCC[C@H]2c2nc(-c3ccc(F)cn3)no2)cc1 49155437 YSBIMLQQZPHXSK-KRWDZBQOSA-N 402.451 3.011 0 40 HGAB biogenic,in-vitro COc1cc(Br)c([C@H]2NC(=O)c3cc(OC)c(OC)cc3N2)cc1OC 63775331 HIPNEVDHPICXBZ-QGZVFWFLSA-N 423.263 3.338 0 40 HGAB CCN(C(C)=O)c1nc2ccccc2n(CC(=O)Nc2ccc(Cl)cc2C)c1=O 64987619 OGBOBTZNQAWFMG-UHFFFAOYSA-N 412.877 3.370 0 40 HGAB CC(C)n1c([C@@H]2CCCN2CC(=O)NC(=O)NCC(F)(F)F)nc2ccccc21 72308898 NNKHRWCKOPQUPW-HNNXBMFYSA-N 411.428 3.142 0 40 HGAB O=C(c1cccc(O)c1)N1CCN(C(=O)C2(c3cccc(C(F)(F)F)c3)CC2)CC1 78406309 LHLKZXDWHMFWAM-UHFFFAOYSA-N 418.415 3.427 0 40 HGAB CN1C(=O)[C@H](NC(=O)NCc2cccc(F)c2)N=C(c2ccccc2)c2ccccc21 95929332 FMCXTMUUZKWNAK-QFIPXVFZSA-N 416.456 3.465 0 40 HGAB CN(C)CC[C@H](NC(=O)c1ccc(NS(=O)(=O)C(F)(F)F)cc1)C(C)(C)C 96012414 VBYGVDUSPUMFAX-AWEZNQCLSA-N 409.474 3.044 0 40 HGAB S=C(c1cn(CCOc2ccc3c(c2)OCO3)c2ccccc12)N1CCOCC1 96194006 HEYJLYTUBJDIHG-UHFFFAOYSA-N 410.495 3.457 0 40 HGAB CC(C)[C@H](NC(=O)c1ccccc1)C(=O)OCC(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 101703411 NAXYWYGEVIKPRJ-WWEVIYMKSA-N 414.546 3.411 0 40 HGAB COC(=O)c1ccc(CN2C(=O)S/C(=C/c3cc4c(cc3C)OCO4)C2=O)o1 107889459 SCISQACRSMEVPK-FRKPEAEDSA-N 401.396 3.340 0 40 HGAB CCOc1cccc(CNC(=O)CCCN(c2ccccc2F)S(C)(=O)=O)c1 113965729 UTZDMDSCSYMEBR-UHFFFAOYSA-N 408.495 3.087 0 40 HGAB CC[C@@H]1CCCCN1c1nc(=O)c2c([nH]1)NC(=O)C[C@H]2C(=O)Nc1cc(C)ccc1C 139118256 ULDXRIHSVOQZHL-HZPDHXFCSA-N 423.517 3.220 0 40 HGAB COc1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)CCCc3ccccc3)C2)c1 216254558 XRFWIYPECHBZEZ-IBGZPJMESA-N 416.543 3.308 0 40 HGAB CCOC(=O)c1ccc(NC(=O)CCCN(c2ccccc2)S(C)(=O)=O)c(C)c1 219169080 GKPWTCNBQUFQTO-UHFFFAOYSA-N 418.515 3.357 0 40 HGAB CC[C@@H](C(=O)NCCSc1ccccc1)N(c1cccc(C)c1)S(C)(=O)=O 220499858 UCOMAUJNHTWCGD-IBGZPJMESA-N 406.573 3.448 0 40 HGAB CCOC(=O)c1cccc(NC(=O)CCCN(c2ccccc2F)S(C)(=O)=O)c1 222659510 XWMVXYHNEQPBTM-UHFFFAOYSA-N 422.478 3.187 0 40 HGAB O=C(NCc1ccccc1)[C@H]1CN(C(=O)COc2ccccc2)c2ccccc2O1 222951161 MNXCYBVRRXMALQ-JOCHJYFZSA-N 402.450 3.176 0 40 HGAB Cc1ccc(C)c(OCCNC(=O)c2ccc(C)c(S(=O)(=O)N3CCCC3)c2)c1 224005140 HGRRLKBKRBEPCG-UHFFFAOYSA-N 416.543 3.205 0 40 HGAB COc1ccc(S(=O)(=O)Nc2cccc(Cl)c2C)cc1N1C(=O)CCC1=O 224395529 WPEIOXQIYMKRKQ-UHFFFAOYSA-N 408.863 3.111 0 40 HGAB CNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)Cc1ccccc1F 225470171 XNHCRVZIXKUEOD-CYBMUJFWSA-N 407.283 3.294 0 40 HGAB O=C(N[C@@H](c1cccnc1)C1CCOCC1)[C@@H]1CCCN1c1nc2ccccc2o1 225622383 BLPMULVBZSGVJT-PZJWPPBQSA-N 406.486 3.476 0 40 HGAB Cc1cc(N2C[C@@H](C)C[C@@H](C)C2)nc(NC(=S)NCc2ccc3c(c2)OCO3)n1 226013371 DENFYGCAYUTFKU-OKILXGFUSA-N 413.547 3.483 0 40 HGAB FC(F)(F)c1ccc(N2CCN(C3CCN(Cc4ccncc4)CC3)CC2)nc1 252492698 MSSPXUHQAHLBNV-UHFFFAOYSA-N 405.468 3.282 0 40 HGAB CCCCCOc1ccc(C(=O)NCCN2c3ccccc3N(C)S2(=O)=O)cc1 253471258 BQYAWIRJQFSICR-UHFFFAOYSA-N 417.531 3.187 0 40 HGAB CCc1onc(C)c1-c1cccc([C@@H]2CN(C(=O)CCn3nccc3C)CCO2)n1 257254929 KFGXBIWMTVDINO-FQEVSTJZSA-N 409.490 3.103 0 40 HGAB O=C1CCC[C@]2(CN(Cc3ccnc(N4CCCCC4)n3)C[C@H]2c2cccc(F)c2)N1 257262797 LMYYZSXLMUSWOM-XUZZJYLKSA-N 423.536 3.244 0 40 HGAB CC(=O)N1CCC(Cc2ccc(F)cc2)(C(=O)N2CCCC[C@@H]2c2cc[nH]n2)CC1 257318684 VOZOKWIEIWQYFE-OAQYLSRUSA-N 412.509 3.474 0 40 HGAB CCCCNC(=O)C1CCN(S(=O)(=O)c2ccc(OCC)c(Cl)c2)CC1 408582080 BKBGGOXRKDLJCB-UHFFFAOYSA-N 402.944 3.056 0 40 HGAB COc1ccc(Cl)cc1S(=O)(=O)N1CCN(C/C=C/c2ccccc2)CC1 408594229 NZCCGQFLQYMRMB-VMPITWQZSA-N 406.935 3.368 0 40 HGAB CCN(CC)C(=O)c1ccccc1NC(=O)c1ccc(N(C)S(=O)(=O)CC)cc1 408705421 FIZKDURCJJUBEB-UHFFFAOYSA-N 417.531 3.207 0 40 HGAB COc1cc(C)c(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc1C(C)C 409138933 KAMOJCPIDCMNNJ-WOJGMQOQSA-N 418.515 3.022 0 40 HGAB Cc1cc(C)cc(C2(c3nc(-c4cccc([C@@]5(C)NC(=O)NC5=O)c4)no3)CC2)c1 546366498 VFZMSUVFSLNFNT-JOCHJYFZSA-N 402.454 3.488 0 40 HGAB CN(Cc1cccnc1)C[C@H]1CCC2(CN(C(=O)c3ccc4c(ccn4C)c3)C2)OC1 575403000 FLYJQPHVVCYKDK-HXUWFJFHSA-N 418.541 3.327 0 40 HGAB COc1ccccc1C1(C(=O)N2CC[C@@H](c3cccs3)S(=O)(=O)CC2)CC1 575414915 PVMJOBPXHKOSKX-SFHVURJKSA-N 405.541 3.177 0 40 HGAB C[C@H]1c2nc(C(=O)NCc3ccco3)cn2CCN1C(=O)c1cn(C)c2ccccc12 585096644 XVYSETBKCBIQIS-HNNXBMFYSA-N 417.469 3.115 0 40 HGAB COCCN1Cc2ccccc2CC2(CCN(c3ncc4ccccc4n3)CC2)C1=O 585105901 XFAOLRXJBBGJOJ-UHFFFAOYSA-N 416.525 3.448 0 40 HGAB Cc1cc(Br)c2oc(C(=O)N3CCC(c4nc(=N)[nH][nH]4)CC3)cc2c1 647730024 FMLCSJZVMKEKCJ-UHFFFAOYSA-N 404.268 3.054 0 40 HGAB C[C@@H]1CCN(C(=O)c2ccc3c(=O)n(-c4ccccc4F)c(S)nc3c2)CCO1 1161850108 XHYBOVQFZQFEEV-CYBMUJFWSA-N 413.474 3.065 0 40 HGAB COc1ccc(NC(=O)N2CCC(Cn3cnc4ccccc4c3=O)CC2)c(OC)c1 1775973489 SJONDYMPYVJKFU-UHFFFAOYSA-N 422.485 3.358 0 40 HGAB O=S1(=O)CC[C@H](CN2CCC(c3ccc4cc(-c5ccncc5)cnc4n3)CC2)C1 1888914243 HGAFLGMGOWTSBD-QGZVFWFLSA-N 422.554 3.306 0 40 HGAB O=C(C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1)N1CCCCC1 810939 CDUGMAHBEIFACA-UHFFFAOYSA-N 405.347 3.407 0 40 HGAB CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(NC(=O)c3ccccc3)C(=O)[C@H]12 1064210 GLSORGRTUNRMGT-UBFBPUDLSA-N 408.457 3.398 0 40 HGAB COc1cc(OC)c(C(=O)OCC(=O)Nc2ccccc2Br)cc1OC 3393071 QYZCLXNGWSEMJI-UHFFFAOYSA-N 424.247 3.270 0 40 HGAB C[C@H](OC(=O)Cc1coc2cc3c(cc12)CCC3)C(=O)NCc1ccc2c(c1)OCO2 3449326 WZMSJTDJWBRFPR-AWEZNQCLSA-N 421.449 3.441 0 40 HGAB COc1ccc(CN2C(=O)N3CCc4c([nH]c5ccccc45)[C@@]3(C)C2=O)cc1OC 4041493 BRINNUCUUWKXPO-QHCPKHFHSA-N 405.454 3.421 0 40 HGAB biogenic CCn1c(SCc2ccccc2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 4405107 WAGPKWVLQIXTQE-UHFFFAOYSA-N 417.556 3.369 0 40 HGAB C[C@@H](CCc1ccccc1)NC(=O)[C@@H](C)Sc1nnc(-c2cccc(F)c2)n1N 4876707 RJOMWWGCTFDWFH-LSDHHAIUSA-N 413.522 3.416 0 40 HGAB COC(=O)c1c(C(=O)OC)c(-c2ccc(Cl)c(Cl)c2)n2c1C[S@@](=O)C2 5320274 LCCAHCFTYHJVPG-VWLOTQADSA-N 402.255 3.255 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)COc2ccc(C)cc2OC)cc1 5439222 AJFNHSDZEBNFTO-UHFFFAOYSA-N 406.504 3.052 0 40 HGAB COc1ccc(OCC(=O)Nc2cccc(S(=O)(=O)N3CCCCCC3)c2)cc1 6609024 KHSASVPNJUZRSE-UHFFFAOYSA-N 418.515 3.277 0 40 HGAB Cc1ccccc1N(C)S(=O)(=O)c1nnc(NC(=O)c2ccccc2F)s1 6818314 QKTMZXLYNJBZQF-UHFFFAOYSA-N 406.464 3.063 0 40 HGAB COc1ccc(CNC(=O)COC(=O)CCc2nc3ccccc3s2)cc1OC 7015557 XRGMXRHTMLQACF-UHFFFAOYSA-N 414.483 3.106 0 40 HGAB O=C1CCc2cc(-c3csc(NC(=O)[C@@H]4COc5ccccc5O4)n3)ccc2N1 7036884 AXJLLPMCNZMANV-SFHVURJKSA-N 407.451 3.473 0 40 HGAB CCCNC(=O)[C@@H]1CN(CC(=O)Nc2cc(Cl)ccc2C)c2ccccc2O1 7275744 OVYUHQAKJUMKNY-IBGZPJMESA-N 401.894 3.381 0 40 HGAB O=C(OCC(=O)c1ccc[nH]1)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1 7778505 RIQMBRNTGZBHMM-WYMLVPIESA-N 410.451 3.467 0 40 HGAB Cc1c(C(=O)O)cccc1-c1ccc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)o1 8477270 QQIWCLDXJMRXSB-GZTJUZNOSA-N 408.410 3.358 0 40 HGAB O=C(Nc1nnc(C2CCCCC2)o1)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 8927228 AYJUOKKWZYIDNU-MRXNPFEDSA-N 422.482 3.048 0 40 HGAB CCSc1nc(NC(C)C)c2cnn(CCNC(=O)c3c(F)cccc3F)c2n1 8948482 RTTOXUODSMBGGY-UHFFFAOYSA-N 420.489 3.467 0 40 HGAB COc1ccc(S(=O)(=O)Nc2ccc3c(c2)CN(C(=O)c2ccco2)CC3)cc1 8977173 FENJDDSFLJHZHP-UHFFFAOYSA-N 412.467 3.288 0 40 HGAB O=C(CSc1nnc(NC[C@H]2CCCO2)s1)c1ccc(N2CCCC2=O)cc1 9483023 VRCILSGGZDFOHK-OAHLLOKOSA-N 418.544 3.231 0 40 HGAB Nn1c(SCc2nnnn2-c2ccccc2)nnc1-c1cc(Cl)ccc1Cl 9582882 PAGKDGNWRXUKNK-UHFFFAOYSA-N 419.301 3.234 0 40 HGAB CN(CCOc1ccccc1)C(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O 9639246 OACPPRNUWCTOHL-UHFFFAOYSA-N 421.474 3.215 0 40 HGAB COc1cc(OC)cc(C(=O)Nc2nc(CC(=O)Nc3nccs3)cs2)c1 9659243 BVRMMNZJCWDEQI-UHFFFAOYSA-N 404.473 3.050 0 40 HGAB Cc1cc(C(=O)CSc2nnnn2C[C@H]2CCCO2)c(C)n1Cc1ccccc1 9862331 VPSBAXGDGNGHJA-GOSISDBHSA-N 411.531 3.294 0 40 HGAB CCOc1ccc(Nc2nc(CSc3nnnn3-c3ccccc3)cc(=O)[nH]2)cc1 9939352 FLPDGEXCFHKVEJ-UHFFFAOYSA-N 421.486 3.180 0 40 HGAB COC(=O)c1ccccc1N(C)C(=O)CN1CCC[C@H]1c1ccc(OC)cc1OC 11440048 BJZRGACRKVVRBX-FQEVSTJZSA-N 412.486 3.290 0 40 HGAB COc1ccc(Cl)cc1COC(=O)[C@@]12CCC(=O)N1c1ccccc1C(=O)N2C 11510352 AGQKZGNVDQVJMZ-OAQYLSRUSA-N 414.845 3.001 0 40 HGAB COc1cccc([C@@H](CNC(=O)C2CCN(c3nc4ccccc4o3)CC2)N(C)C)c1 11603984 IYUPQYXJZBLZHI-OAQYLSRUSA-N 422.529 3.472 0 40 HGAB Cc1ccnc(Nc2ccc(NCCNC(=O)c3ccc(Br)o3)nn2)c1 11696763 KLKDWKUFQORHOE-UHFFFAOYSA-N 417.267 3.121 0 40 HGAB CCc1ccc2[nH]c(=O)c(CNc3ccc(N4CCN(C(C)=O)CC4)cc3)cc2c1 12088279 HATFTUYTBKYOFK-UHFFFAOYSA-N 404.514 3.371 0 40 HGAB CCc1nccn1C[C@@H](C)C(=O)N1CCC[C@H](c2nc3ccccc3cc2C(N)=O)C1 12088401 KROCYYWVXFYOFQ-AEFFLSMTSA-N 419.529 3.135 0 40 HGAB Cc1n[nH]c(C)c1CCC(=O)N1CCC[C@@H](n2nc(-c3cccs3)ccc2=O)C1 12158274 BJOLJKZHNKRYLP-MRXNPFEDSA-N 411.531 3.108 0 40 HGAB CCCNc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)c1ccc(C)nc1 12521971 JUZIUMWWQBNJII-UHFFFAOYSA-N 404.536 3.495 0 40 HGAB C[C@@H](Oc1ccc(Br)cc1)C(=O)N(C)Cc1nc2ccsc2c(=O)[nH]1 12745447 VCMIGJCZJVKNRF-SNVBAGLBSA-N 422.304 3.173 0 40 HGAB CN(C)S(=O)(=O)c1cccc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)c1 13015770 MOGAHXCOBZTLPD-UHFFFAOYSA-N 409.316 3.045 0 40 HGAB O=C(CN1C(=O)S/C(=C\c2ccccc2F)C1=O)Nc1ccc2nccnc2c1 13655577 GYSAFEAUEUCMTH-MFOYZWKCSA-N 408.414 3.444 0 40 HGAB COc1ccc(-c2nc(CC(=O)N3CCN(c4ccccn4)CC3)cs2)cc1OC 13690232 KUMXUEUWPBKZJS-UHFFFAOYSA-N 424.526 3.114 0 40 HGAB C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)c3cc4c(s3)CCC4)cc2)C[C@H](C)O1 14139695 NOBOYOPTHLQXNY-KBPBESRZSA-N 420.556 3.287 0 40 HGAB O=C(CSc1nnc(-c2ccc(F)cc2)n1C[C@H]1CCCO1)Nc1nccs1 14461650 LQTGUNWWTQPPDM-CQSZACIVSA-N 419.507 3.451 0 40 HGAB CCCCOC(=O)c1ccc(NC(=O)COC(=O)c2cc(=O)[nH]c3ccccc23)cc1 15912546 DEQTWTMWYMLCSB-UHFFFAOYSA-N 422.437 3.281 0 40 HGAB CCc1ccc(N(CC(=O)Nc2cccc(C(=O)OC)c2Cl)S(C)(=O)=O)cc1 16161627 RMYNWBNPRLGLEM-UHFFFAOYSA-N 424.906 3.094 0 40 HGAB CCN1C(=O)CCc2cc(NS(=O)(=O)c3ccc(NC(=O)C(C)C)cc3)ccc21 17289190 JZHSSLLFTWUGDJ-UHFFFAOYSA-N 415.515 3.381 0 40 HGAB O=C(C1CCCCC1)N1CCC(c2nc(O)c3nnn(Cc4ccccc4)c3n2)CC1 18168854 GSRVSUXGPRKRBJ-UHFFFAOYSA-N 420.517 3.262 0 40 HGAB O=C(CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)Nc1cccc(C2SCCCS2)c1 18706271 FUQAFIQAJQGLKZ-HOTGVXAUSA-N 402.541 3.445 0 40 HGAB Cc1ccn2c(CN3C[C@@H](c4ccccn4)[C@@]4(CCCCC(=O)N4)C3)c(C)nc2c1 19238150 RABXMAAHROWOHC-YADARESESA-N 403.530 3.375 0 40 HGAB CCn1ccc(C(=O)N2CCCC[C@H]2c2nc(O)c3c(n2)CN(C2CCCC2)CC3)n1 19525153 BDINXEKIXVJRTM-FQEVSTJZSA-N 424.549 3.067 0 40 HGAB CCN1CCN(C(=O)CCOC)C[C@H](Cc2cccc(-c3ccc(F)cc3)c2)C1=O 19527465 IHPSXPDVUOMAHK-NRFANRHFSA-N 412.505 3.379 0 40 HGAB CN(C)c1ccc(C(=O)N2CCO[C@@H](c3c(C(N)=O)sc4ccccc34)C2)cc1 19697720 BWHDILMEDABIMH-QGZVFWFLSA-N 409.511 3.280 0 40 HGAB CCc1nc2ccccc2n1[C@@H](C)C(=O)Nc1ccc(C)c(S(=O)(=O)N(C)C)c1 19718461 GELTUNKEZNZLEZ-HNNXBMFYSA-N 414.531 3.357 0 40 HGAB CNC(=O)c1cc([C@H]2CN(C(=O)CCc3ccc(F)cc3)CCO2)nc2ccccc12 19754418 UXVHILUZBWUPNO-JOCHJYFZSA-N 421.472 3.266 0 40 HGAB COc1ccc(Cl)cc1S(=O)(=O)N[C@H](C)C(=O)Nc1ccc(F)c(F)c1F 20016411 DXIAYLAVUQSWEX-MRVPVSSYSA-N 422.812 3.071 0 40 HGAB COc1ccc(C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1C 20768413 WBXHNIZMDDMDAG-UHFFFAOYSA-N 402.516 3.108 0 40 HGAB O=C(c1cccc(S(=O)(=O)NCC(F)(F)F)c1)N1CC[C@@H]2CCCC[C@@H]2C1 21905486 GEYAXWYFEXRZDO-DZGCQCFKSA-N 404.454 3.180 0 40 HGAB S=c1oc(-c2ccc3c(c2)OCO3)nn1CN1CCN(Cc2ccccc2)CC1 22036856 IPWOYQZUHCRHCN-UHFFFAOYSA-N 410.499 3.377 0 40 HGAB Cc1cc(C)c([C@@H](C)NC(=O)COc2ccc(N(C)S(C)(=O)=O)cc2)cc1C 22605923 RBISEGUTNFSOIE-QGZVFWFLSA-N 404.532 3.264 0 40 HGAB O=C(CN1CCN(Cc2ccsc2)CC1)N1CCS[C@H]1c1ccccc1F 22799343 CATNIJRTTJJNDF-FQEVSTJZSA-N 405.564 3.279 0 40 HGAB COc1ccccc1N1CCN(C(=O)c2cc(C3CC3)nc3c2c(C)nn3C)CC1 24261747 MPZMZTYOORUCOW-UHFFFAOYSA-N 405.502 3.125 0 40 HGAB O=C(NCCc1ccccc1)C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1 24610483 XQXFUBXJRZRNOS-UHFFFAOYSA-N 420.962 3.241 0 40 HGAB COc1cccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccccc3C)CC2)c1 24611387 MJHINZZSEYHZHH-UHFFFAOYSA-N 402.516 3.184 0 40 HGAB O=S(=O)(Cc1ccccc1)N1CCN(Cc2csc(-c3ccccc3)n2)CC1 25572070 HYEGVVSHRXGPAL-UHFFFAOYSA-N 413.568 3.458 0 40 HGAB C[C@H](CCc1ccccc1)NC(=O)NC1CCN(CC(=O)Nc2ccccc2)CC1 29319811 BLWFDWMZZVHCTQ-LJQANCHMSA-N 408.546 3.410 0 40 HGAB O=C(/C=C/c1ccc(Br)o1)NC[C@H](c1cccs1)N1CCOCC1 29840906 WIMRYHGGQAIFKF-YVARQFDVSA-N 411.321 3.307 0 40 HGAB CCOc1ccc(NCC(=O)Nc2cccc(C)c2)cc1S(=O)(=O)N1CCCC1 29936837 OTRIWEIFDLLBQM-UHFFFAOYSA-N 417.531 3.229 0 40 HGAB CC(C)Oc1cccc(NC(=O)[C@H]2CCN(S(C)(=O)=O)c3ccccc3O2)c1 30940457 BYUMVNNXSAPYHZ-LJQANCHMSA-N 404.488 3.030 0 40 HGAB Cc1cccc(NC(=O)CSc2nnc(-c3ccc4c(c3)OCCO4)c(O)n2)c1C 32836321 OCDKHCTUBRXXHY-UHFFFAOYSA-N 424.482 3.363 0 40 HGAB CCC(CC)CN(CC(=O)OC)CN1C(=O)N[C@]2(CCCCc3ccccc32)C1=O 32916187 GTLBCZRNKQOBKE-QHCPKHFHSA-N 415.534 3.029 0 40 HGAB O=C(NC1CCCCC1)NC1(C(=O)NCc2ccc3c(c2)OCO3)CCCCC1 35311688 DCCNIWAHKWNYJX-UHFFFAOYSA-N 401.507 3.366 0 40 HGAB COCCNc1ccc(-c2noc([C@@H]3CCCN3Cc3ccc4c(c3)OCO4)n2)cn1 35425199 YFSHOSVEUTUUQA-KRWDZBQOSA-N 423.473 3.256 0 40 HGAB biogenic,in-vitro COc1ccc(CC(=O)NCCc2nnc3c(Cl)cc(C(F)(F)F)cn23)cc1 36625375 QATJIPKWEDTDHR-UHFFFAOYSA-N 412.799 3.312 0 40 HGAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)O2 38835576 MZAZNRRGOPJOQD-MRXNPFEDSA-N 415.298 3.468 0 40 HGAB O=C(CS(=O)(=O)Cc1coc(-c2ccc(Cl)cc2)n1)NCc1cccs1 40070252 AHDJSDFDJJZKOJ-UHFFFAOYSA-N 410.904 3.288 0 40 HGAB O=C1C[C@@H](C(=O)NC2CCN(c3ccc(C(F)(F)F)cn3)CC2)c2ccccc2N1 40134429 CBJHLIGIYSTZTR-MRXNPFEDSA-N 418.419 3.311 0 40 HGAB CCOc1ccccc1CNC(=O)CCn1nc(-c2cccc(OC)c2)ccc1=O 41254094 BGQUNICJPQBTGN-UHFFFAOYSA-N 407.470 3.024 0 40 HGAB COc1cccc([C@H](CNC(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)N(C)C)c1 41950314 LFQWHDCOMMFZTH-MJGOQNOKSA-N 405.539 3.061 0 40 HGAB O=C1C[C@@H](C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)CN1c1ccccc1F 48368024 YHHBBFNPXSLYED-AEFFLSMTSA-N 410.445 3.314 0 40 HGAB COc1ccc(CC(=O)O)cc1S(=O)(=O)Nc1ccc(Br)cc1C 54294889 MQFOEDFNKKNIAD-UHFFFAOYSA-N 414.277 3.194 0 40 HGAB CC(C)CCn1c(=O)c2sccc2n(CC(=O)NCc2ccc(Cl)cc2)c1=O 57426672 ZMCZMLJCRGHMOE-UHFFFAOYSA-N 419.934 3.241 0 40 HGAB COC(=O)N1CCC(NC(=O)c2cc3c(C)nn(-c4ccc(F)cc4)c3s2)CC1 57446076 RRGGFXJJWNKPFV-UHFFFAOYSA-N 416.478 3.495 0 40 HGAB COc1cccc2c1ccn2CC(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1 61718528 LDSDEWQRVLKSDF-UHFFFAOYSA-N 415.496 3.302 0 40 HGAB Cc1nc(-c2ccc(F)cc2)n(CC(=O)Nc2ccc3c(c2)CCC3)c(=O)c1CCO 67301097 GDGZZLGRZNFJNP-UHFFFAOYSA-N 421.472 3.020 0 40 HGAB C[C@H]1Oc2ccccc2N(CC(=O)N(Cc2ccc(O)cc2)Cc2ccco2)C1=O 71794510 LXTBQMBEBUSHCO-MRXNPFEDSA-N 406.438 3.328 0 40 HGAB O=C(C1CC1)N1CCCCC[C@@H]1C1CCN(Cc2nnnn2-c2ccccc2)CC1 71890542 ATOHIMDWPAOLQR-OAQYLSRUSA-N 408.550 3.056 0 40 HGAB CN1C(=O)c2ccccc2C(=O)[C@@]2(C)CN(C(=O)CCc3ccc(Cl)cc3)C[C@@H]12 72395820 XQRMKXWHEVODPG-XXBNENTESA-N 410.901 3.458 0 40 HGAB Cc1nnc(C2CCN(C(=O)[C@H]3CC(=O)N(c4ccc(Cl)cc4)C3)CC2)s1 77099435 PELBHWYIZCEZBG-AWEZNQCLSA-N 404.923 3.259 0 40 HGAB C[C@@H](NC(=O)N1CCN(c2ccc(Cl)cc2)CC1)C(=O)Nc1ccccc1F 80331977 YYUOMFRVWSLWAP-CQSZACIVSA-N 404.873 3.338 0 40 HGAB Cc1noc(-c2ccc(N3CC[C@H](NC(=O)c4ccc(F)c(Cl)c4)C3)nc2)n1 90591957 XWUTYOIOWMTNAT-AWEZNQCLSA-N 401.829 3.241 0 40 HGAB COc1ccc(CCc2n[nH]c(NC(=O)Cc3cc(F)c(F)cc3F)n2)cc1OC 95472978 XKUCWPGSKUWIBU-UHFFFAOYSA-N 420.391 3.206 0 40 HGAB CC(C)(C)c1ccc(C(=O)N2CCC[C@@H](c3n[nH]cc3NS(C)(=O)=O)C2)cc1 95998654 UIAZBUDMSBJNIW-OAHLLOKOSA-N 404.536 3.099 0 40 HGAB CC(C)n1c2ccccc2c2c1cc(C(=O)NCC(F)(F)F)n2S(C)(=O)=O 96146374 NWYDOWFHGPJYRZ-UHFFFAOYSA-N 401.410 3.277 0 40 HGAB COc1ccc(CCN2C(=O)N[C@@H](CCC(=O)NC3CCCCCCC3)C2=O)cc1 96231515 KYVKTZKWBDHIQY-FQEVSTJZSA-N 415.534 3.167 0 40 HGAB Cc1nccn1[C@@H](C)CC(=O)N1[C@@H]2CC[C@@H]1CC(O)(Cn1ccc3ccncc31)C2 100145769 GDFBIKVFAVZOJU-PWIZWCRZSA-N 407.518 3.077 0 40 HGAB Cc1cc2sc(NC(=O)[C@H](C)N3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4C3)nc2cc1Cl 100774921 CHBGUNFSPXSJKF-WLNMLXKZSA-N 415.902 3.392 0 40 HGAB CC1=C([C@@H]2CC(=O)N(c3ccccc3)C2=O)CC[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]12 101670470 ALCZTTLSWRLVRM-URVUXULASA-N 414.461 3.482 0 40 HGAB O=C(NC1CC1)c1c(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2CC3)sc2c1CCCC2 102339683 UNFDFCNSHHFYHV-SYWGBEHUSA-N 414.527 3.371 0 40 HGAB CN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)[C@H]2CCCC[C@H]2C(=O)O)cc1 102575479 QLFFGWSTOJENHR-RBUKOAKNSA-N 416.499 3.341 0 40 HGAB Cc1nc(C)c(CCC(=O)/N=c2/sccn2Cc2ccccc2Cl)c(=O)[nH]1 102860111 KSEQWJSITMKFHT-FCDQGJHFSA-N 402.907 3.012 0 40 HGAB COc1ccc(NC(=O)[C@H](C)N(c2cc(Cl)ccc2OC)S(C)(=O)=O)cc1 113940479 LKZWYVZPDWERTG-LBPRGKRZSA-N 412.895 3.150 0 40 HGAB NC(=O)COc1ccccc1/C=C1/SC(=O)N(Cc2ccccc2Cl)C1=O 214119000 BTZASKDRSMSMPA-CXUHLZMHSA-N 402.859 3.441 0 40 HGAB CC[C@H](NC(=O)CCCN1C(=O)c2ccccc2S1(=O)=O)c1ccc(C)c(C)c1 219448186 GBBLLFKWVSBSFH-IBGZPJMESA-N 414.527 3.496 0 40 HGAB CC[C@H](C(=O)N[C@H](C)COc1ccc(C)cc1)N(c1ccccc1F)S(C)(=O)=O 220605897 CPOMSLYCNWANMW-VQIMIIECSA-N 422.522 3.262 0 40 HGAB CC(C)n1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c1 223171224 PXLGOZXSKVUMJO-RTWAWAEBSA-N 413.591 3.159 0 40 HGAB CC(C)(C)c1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)NCC1CCCCC1)O2 224492001 GPJBWWRXWDWTHY-IBGZPJMESA-N 408.564 3.208 0 40 HGAB CCCSc1nnc(NC(=O)CN(c2cc(C)ccc2C)S(C)(=O)=O)s1 224526071 OLILVZFSCSQYGW-UHFFFAOYSA-N 414.578 3.062 0 40 HGAB Cc1nc(N2CCN(C(=O)c3nccc4ccccc34)CC2)cc(C(F)(F)F)n1 225734594 RQOLMNBCAQCWDM-UHFFFAOYSA-N 401.392 3.314 0 40 HGAB CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)NCC(C)(C)C)CC1 226047194 AKNZMPWVUCZZRO-UHFFFAOYSA-N 416.971 3.302 0 40 HGAB Cn1ccc2cc([C@H](O)CNS(=O)(=O)c3ccc(OC(F)(F)F)cc3)ccc21 252499284 RYFXJLHGPGZIRZ-QGZVFWFLSA-N 414.405 3.089 0 40 HGAB CN(Cc1ccc(OCCCN2CCCC2=O)cc1)C[C@@H](O)COC1CCCCC1 257244360 IKYWNUVXKMUZPM-OAQYLSRUSA-N 418.578 3.220 0 40 HGAB O=C(CN1CC[C@@]2(CCCN2Cc2ccccc2)[C@@H](O)C1)Nc1ccc(Cl)cc1 257282605 OULTUAHOYXTCFA-GMAHTHKFSA-N 413.949 3.380 0 40 HGAB CO[C@H]1CC[C@H](C(=O)N[C@@H](Cc2cc(O)n3nc(C)cc3n2)c2ccccc2)CC1 257340805 ZHPMMBMVJDMATG-IHPCNDPISA-N 408.502 3.349 0 40 HGAB COc1ccccc1N(CC(=O)N[C@H](C)c1ccc2c(c1)CCCC2)S(C)(=O)=O 260838564 SSQYKNUQCFLRGK-MRXNPFEDSA-N 416.543 3.217 0 40 HGAB O=C(N[C@H]1C(=O)N/[N+](=C\c2ccc(F)cc2)[C@H]1c1ccc(Cl)cc1)c1ccccc1 409054744 BHBCFOGLJUCSFE-CIPQKONYSA-O 422.867 3.495 0 40 HGAB Cc1nc(-c2ccc(S(=O)(=O)NC[C@H](c3ccsc3)n3cccn3)cc2)co1 618255895 KLDJQYUZZPORHI-LJQANCHMSA-N 414.512 3.476 0 40 HGAB CNC(=O)c1cc2cc(NC(=O)N3CC[C@@H](N(C)Cc4ccccc4)C3)ccc2[nH]1 684244675 PBIQBVJBQBFUHS-LJQANCHMSA-N 405.502 3.266 0 40 HGAB O=S(=O)(NC[C@@H](O)c1cccc(F)c1)C1=Cc2cc(F)cc(Cl)c2OC1 1561287962 AIXZXPIOJYZRLU-MRXNPFEDSA-N 401.818 3.005 0 40 HGAB CSc1ccccc1NC(=O)N1C[C@@H]2OCCN(Cc3csc(C)n3)[C@H]2C1 2056224677 PFPGHUVPXKLGGK-IRXDYDNUSA-N 404.561 3.291 0 40 HGAB COc1ccc2sc(N3CCN(c4ccc(NC(=O)C5CC5)nc4)CC3)nc2c1 2298107048 FHMBMKJLDTVTHL-UHFFFAOYSA-N 409.515 3.375 0 40 HGAB CC[C@@H](C(=O)OC)n1cnc2sc(C(=O)Nc3ccccc3OC)c(C)c2c1=O 791249 ZWGLMPMZCBIUML-ZDUSSCGKSA-N 415.471 3.151 0 40 HGAB CCC[C@@H](NC(=O)COc1ccc2c(C)c(Cc3ccccc3)c(=O)oc2c1)C(=O)O 2094546 UEOYYHPYQFKHHO-HXUWFJFHSA-N 423.465 3.441 0 40 HGAB biogenic Cc1cc(O[C@H](C)C(=O)NCCCCCC(=O)O)c2c3c(c(=O)oc2c1)CCC3 2102156 MMALLEVOGHZDKX-CQSZACIVSA-N 401.459 3.119 0 40 HGAB biogenic CCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)c1ccc2c(c1)OCO2 2394733 GHXRECHPGWATQJ-UHFFFAOYSA-N 412.398 3.343 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NCc2ccc3c(c2)OCO3)c1 2619551 YBHJJPNNPLPOCS-UHFFFAOYSA-N 424.906 3.029 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(C(=O)OCC(=O)c2cccc(Cl)c2)cc1 3228582 OYRGSKHFXBBTLX-UHFFFAOYSA-N 409.891 3.410 0 40 HGAB O=C(Nc1ccc(C(F)(F)F)cc1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 3358604 CUPWIRGLYRSFFG-GFCCVEGCSA-N 406.360 3.468 0 40 HGAB O=C(COC(=O)/C=C/c1ccc2c(c1)OCO2)Nc1cccc(Br)c1 3436577 WYLUJBHAJVZXQM-FNORWQNLSA-N 404.216 3.373 0 40 HGAB O=C(CSc1ncnc2c1cnn2-c1ccc(F)cc1)NCCc1ccccc1 4341578 SGZMRZXRWDMQBL-UHFFFAOYSA-N 407.474 3.406 0 40 HGAB CCCOC(=O)c1ccc(N2C[C@H](C(=O)OCC(=O)c3ccccc3)CC2=O)cc1 4610578 LWOOXYPVZFHOLS-GOSISDBHSA-N 409.438 3.032 0 40 HGAB CC(=O)N1CCC[C@H]1C(=O)Nc1ccc(C(=O)NC23CC4CC(CC(C4)C2)C3)cc1 4727404 FDKVSCFRMAMTDG-MHZGPWMTSA-N 409.530 3.335 0 40 HGAB Cc1ccc(CCNC(=O)c2ccc3c(=O)n(-c4ccc(C)cc4)c(=O)[nH]c3c2)cc1 4793126 UIYJMSKIXMTBQE-UHFFFAOYSA-N 413.477 3.268 0 40 HGAB O=C(CN1C(=O)N[C@@](Cc2ccccc2)(c2ccccc2)C1=O)Nc1ccccc1F 5334879 JCEGELDRMDXEIV-DEOSSOPVSA-N 417.440 3.454 0 40 HGAB C[C@@]1(c2ccc3c(c2)OCO3)NC(=O)N(Cc2ccc(Br)cc2)C1=O 5450120 GJACKGHBJYUNME-SFHVURJKSA-N 403.232 3.145 0 40 HGAB COc1ccc(-c2n[nH]c(S[C@@H](C)C(=O)NC(=O)NC3CCCCC3)n2)cc1 6141755 HJTMBVXRFCKVQD-LBPRGKRZSA-N 403.508 3.119 0 40 HGAB CN(C)C(=O)CSc1nc2ccc(N3C(=O)[C@H]4CCCC[C@@H]4C3=O)cc2s1 6226382 DTDPXUDVPCIIKZ-STQMWFEESA-N 403.529 3.156 0 40 HGAB Cc1ccc(C)c(C(=O)[C@H](C)OC(=O)c2cc(S(=O)(=O)N(C)C)ccc2F)c1 6436435 FORQMMJOYJCEPA-AWEZNQCLSA-N 407.463 3.121 0 40 HGAB CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N(C)Cc2c(F)cccc2Cl)C1=O 6601205 VDPYWVWVEXPVJI-NRFANRHFSA-N 417.868 3.295 0 40 HGAB O=C1COc2ccc(C(=O)COC(=O)CCC(=O)c3ccc(Cl)cc3)cc2N1 7482993 COXRBUFENJWSJX-UHFFFAOYSA-N 401.802 3.060 0 40 HGAB CC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc4c(c3)CCC4)CC2)cc1 7888951 YXKAKPSZCZNRNZ-UHFFFAOYSA-N 412.555 3.445 0 40 HGAB O=C1CN(C(=O)CN2CCC[C@H](c3nc4ccccc4s3)C2)c2ccccc2N1 8249070 KUKHFRSBPSQBDQ-HNNXBMFYSA-N 406.511 3.461 0 40 HGAB O=C(CSc1nnc(NC(=O)c2c(F)cccc2F)s1)NCc1ccccc1 8822704 FKCAUMCZUBTOGY-UHFFFAOYSA-N 420.466 3.477 0 40 HGAB C[C@@H](NC(=O)c1ccccc1NC(=O)CSc1nnnn1C1CC1)c1ccccc1 9712414 DKBVOONWLCVWER-CQSZACIVSA-N 422.514 3.230 0 40 HGAB Cc1nc(-c2ccccc2)ccc1C(=O)NCc1ccccc1S(=O)(=O)N(C)C 9899452 IRNYVENEJKKCKT-UHFFFAOYSA-N 409.511 3.237 0 40 HGAB Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)NCCc1cccc(F)c1 10101833 JQDAPTWJIVWJQR-UHFFFAOYSA-N 409.387 3.191 0 40 HGAB O=C(CSc1nc(C2CC2)nc2ccccc12)NCC(=O)Nc1ccc(F)cc1 10944252 UTOVWSFFOHMRNO-UHFFFAOYSA-N 410.474 3.493 0 40 HGAB COc1cc(OC)c2cc(C(=O)N3CCC[C@H]3c3cc4nc(C)cc(O)n4n3)[nH]c2c1 12154082 DOOOFATXCHRCIW-SFHVURJKSA-N 421.457 3.219 0 40 HGAB CCc1nn(C)c(C(=O)N2CCC[C@@H](c3nc4ccc(F)cc4cc3C(N)=O)C2)c1C 12276268 JKVYXXIGDNJXMK-CQSZACIVSA-N 423.492 3.097 0 40 HGAB CN(C)c1nc2ccccc2cc1CN1CCc2c(nc(-c3cccnc3)[nH]c2=O)C1 12325676 OLVZSADDFHSXJA-UHFFFAOYSA-N 412.497 3.004 0 40 HGAB O=C(CCn1cnc2c(cnn2-c2ccccc2)c1=O)Nc1nc2ccccc2s1 12440210 YVYIZVUOURXVHT-UHFFFAOYSA-N 416.466 3.221 0 40 HGAB COC[C@@H](C)NC(=O)[C@H](C)SCc1nc2scc(-c3ccccc3)c2c(=O)[nH]1 12778366 XGENUBGDCTYUFB-OLZOCXBDSA-N 417.556 3.424 0 40 HGAB Cc1nn(-c2ccccc2)cc1[C@H]1CC(c2ccc3c(c2)OCO3)=NN1S(C)(=O)=O 12821399 HXLYEMMXGWGDTE-LJQANCHMSA-N 424.482 3.020 0 40 HGAB COc1ccc(Br)cc1CN(C)C(=O)CCCn1c(C)csc1=O 12925906 ZCRKQUGVJLVLTM-UHFFFAOYSA-N 413.337 3.428 0 40 HGAB CCN1CCC(NC(=O)c2ccc(S(=O)(=O)N(CC)c3ccccc3)cc2)CC1 12977931 DCPNMNGPPKHQIL-UHFFFAOYSA-N 415.559 3.116 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NCC(=O)Nc2ccccc2F)cc1 13038337 DQKYUWFGVJDNPJ-OAHLLOKOSA-N 407.511 3.146 0 40 HGAB COc1ccc(/C=C(\NC(=O)c2cccs2)C(=O)NCc2ccco2)cc1OC 13685532 XJLXVDMYIYRPOD-WJDWOHSUSA-N 412.467 3.446 0 40 HGAB O=C(Cc1ccccc1Cl)NCCOc1ccc2nnc(-c3ccccc3)n2n1 13705721 FXIRJKJNTJSWHR-UHFFFAOYSA-N 407.861 3.182 0 40 HGAB COc1ccc(OCCCC(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)cc1 14399329 QPHWXMPEVQSOQR-IBGZPJMESA-N 412.486 3.402 0 40 HGAB COC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)c2ccc(C(F)(F)F)cc2)cc1 14512933 DEKUQPIZDSGJPW-GFCCVEGCSA-N 416.421 3.271 0 40 HGAB Cc1ccc(CNC(=O)CN2CCCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 16422325 QDFIHNXAJBYYEB-UHFFFAOYSA-N 406.452 3.237 0 40 HGAB Cc1ccccc1C(=O)NC(=S)Nc1ccc(I)c(C)n1 17088758 GWOALLAXKCCSIP-UHFFFAOYSA-N 411.268 3.430 0 40 HGAB CCCS(=O)(=O)N1CCCc2cc(NC(=O)Cc3ccc(OC)cc3)ccc21 17286758 KLAKCYDYDIBIKR-UHFFFAOYSA-N 402.516 3.369 0 40 HGAB COc1ccc(C2(C(=O)N[C@@H](c3cc(=O)[nH]c(-c4cccnc4)n3)C(C)C)CC2)cc1 19445617 JESNBWBZBMPAOF-OAQYLSRUSA-N 418.497 3.386 0 40 HGAB CC(C)c1nccn1[C@@H](C)C(=O)N1CCN([C@H](c2ccccc2)c2nccn2C)CC1 19454295 IGWGVNDWRJBDPJ-PZJWPPBQSA-N 420.561 3.235 0 40 HGAB COc1ccc2c(C(=O)CN3CCC(O)(Cn4ncc5ccccc54)CC3)c[nH]c2c1 19563096 HHNDJSXBPQBCFW-UHFFFAOYSA-N 418.497 3.236 0 40 HGAB Cc1cc(C)n(C)c(=O)c1C(=O)N[C@@H](Cc1ccccc1)c1ccc2c(c1)OCCO2 19572222 VQLWEWJOOMMFMU-FQEVSTJZSA-N 418.493 3.487 0 40 HGAB CN(C)C(=O)C1(Cc2ccc(-c3cccnc3)cc2)CCN(C(=O)[C@@H]2CCCO2)CC1 19700116 LADWTHBUZZOYHF-QFIPXVFZSA-N 421.541 3.167 0 40 HGAB O=S(=O)(N1CCCC1)N1CCC[C@@H]1c1cc(CCOc2cccc(Cl)c2)[nH]n1 19703613 JQFOHTDHSIAAFT-LJQANCHMSA-N 424.954 3.162 0 40 HGAB COc1ccccc1CN1C(=O)Cc2c(C)nc([C@H]3CCCN(C(=O)C(C)C)C3)nc21 19744526 DXQCAWNCDRKZDW-SFHVURJKSA-N 422.529 3.245 0 40 HGAB COC(=O)C1=C(C)N(c2ccccc2)C(=O)C[C@@H]1C(=O)Nc1cc(OC)ccc1OC 19819067 NOJZBJBNKYXWEK-KRWDZBQOSA-N 424.453 3.142 0 40 HGAB CCOC(=O)[C@](NCc1ccccc1OC)(NC(=O)c1ccccc1)C(F)(F)F 20828835 CWHURWOIEULVRB-IBGZPJMESA-N 410.392 3.037 0 40 HGAB CC[C@@H](C)NC(=O)COc1ccc(N(Cc2ccc(F)cc2)S(C)(=O)=O)cc1 22232444 WWECETOAKBTQKI-OAHLLOKOSA-N 408.495 3.085 0 40 HGAB COc1ccc(CN2C[C@H](C(=O)Nc3cccc(Br)c3)CC2=O)cc1 28580732 FXTNZTJROXRIHL-CQSZACIVSA-N 403.276 3.445 0 40 HGAB CN(CCC(=O)NCc1ccccc1Cl)Cc1ccccc1N1CCOCC1 28901075 OCCOHNISFUWTPO-UHFFFAOYSA-N 401.938 3.315 0 40 HGAB O=C(N[C@@H](Cc1ccccc1)C(=O)NC[C@H]1COc2ccccc2O1)c1cccs1 31038527 VXMBOKOMMBMPCK-ROUUACIJSA-N 422.506 3.045 0 40 HGAB COC(=O)[C@H](CCSC)NC(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 32074361 NHUZRPAZHDWCFE-HIFRSBDPSA-N 407.561 3.480 0 40 HGAB COc1ccccc1NS(=O)(=O)c1cccc(NC(=O)c2cccnc2OC)c1 32755200 ZJSJNPOOEWLXCD-UHFFFAOYSA-N 413.455 3.152 0 40 HGAB O=C([C@H]1CCCN(c2cnccn2)C1)N(Cc1ccc2c(c1)OCO2)C1CCCC1 32803733 DCHMUCSQQYXZCF-SFHVURJKSA-N 408.502 3.393 0 40 HGAB Cc1cccc(N2C[C@@H](C(=O)N3CCC(C(=O)c4ccc(O)cc4)CC3)CC2=O)c1C 32898899 OKUWTSSWFRVSMN-FQEVSTJZSA-N 420.509 3.483 0 40 HGAB COc1cccc(-c2cc(C(=O)N[C@@H](C)Cn3ccc(C)n3)c3c(C)nn(C)c3n2)c1 36615817 RFZLNNFWGNPYIH-HNNXBMFYSA-N 418.501 3.276 0 40 HGAB O=C(Nc1ccc(N2CCOCC2)cn1)[C@H]1CC(=O)N(c2cccc3ccccc23)C1 37151410 NKRABSTXFJLSIY-SFHVURJKSA-N 416.481 3.063 0 40 HGAB CCc1cccc2c(/C=C3\NC(=S)N(CC)C3=O)cn(CC(=O)NC3CCCC3)c12 39556820 YLNMTFJMCMIUEV-UNOMPAQXSA-N 424.570 3.340 0 40 HGAB C[C@]1(c2cccc(NC(=O)CCc3ncc(-c4ccccc4F)o3)c2)NC(=O)NC1=O 40110974 VTEWGLJQMXWDDK-JOCHJYFZSA-N 422.416 3.107 0 40 HGAB CC(C)NC(=O)N1CCC[C@H](C(=O)NCc2cccc(OCC(F)(F)F)c2)C1 40111903 OIHBDKAOYXZWNS-HNNXBMFYSA-N 401.429 3.074 0 40 HGAB CN(CC(=O)N1CCC(c2nnc3ccccn23)CC1)c1nc2ccccc2s1 40150367 MFHCHSZQQUPZKS-UHFFFAOYSA-N 406.515 3.181 0 40 HGAB Cc1cc(C(=O)N(Cc2nnc(-c3ccccc3)o2)C(C)C)ccc1-n1cnnn1 44313305 ATFQABAQKSJDNO-UHFFFAOYSA-N 403.446 3.072 0 40 HGAB CCn1cnc2c(-c3ccccc3)cn(CC(=O)Nc3ccc4c(c3)OCO4)c2c1=O 48989508 ZOABRPQURVAHER-UHFFFAOYSA-N 416.437 3.252 0 40 HGAB O=C(Nc1ccc(N2CCCC2)nc1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 57995182 MLAKIJDDSJFJJM-UHFFFAOYSA-N 420.439 3.450 0 40 HGAB O=C(OCCN1C(=O)CCC1=O)c1ccccc1-c1ncc(-c2ccc(F)cc2)o1 58167047 UATZDEBRXXKFDX-UHFFFAOYSA-N 408.385 3.454 0 40 HGAB CCc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccc5c(c4)CCC5)ncn3n2)cc1 67208957 NLNSBTNQAHMXMN-UHFFFAOYSA-N 413.481 3.248 0 40 HGAB CCOc1ccc(CNC(=O)c2cn(-c3ccc(-c4nc(CC)no4)cn3)cn2)cc1 71768341 LEFGTUGEZBPSLH-UHFFFAOYSA-N 418.457 3.208 0 40 HGAB C[C@@H](COC(=O)CCCOc1ccc2c(c1)CCC(=O)N2)NC(=O)OC(C)(C)C 72310768 KJFZVANGURSGIH-AWEZNQCLSA-N 406.479 3.187 0 40 HGAB NC(=O)c1cccc(-c2nccnc2[C@@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)c1 72358933 CGZIYIYYHMEKNK-LJQANCHMSA-N 418.472 3.330 0 40 HGAB Cc1cc(C)n(C)c(=O)c1C(=O)N1CCC[C@@H]1Cc1c(C(N)=O)sc2ccccc12 72370279 PVQDBIWCXXJLOQ-OAHLLOKOSA-N 423.538 3.163 0 40 HGAB CCCC(=O)N1CCO[C@](Cc2ccc(-c3cccs3)cc2)(C(=O)NCC)C1 72389250 CVCUPAHVRJHLQG-QFIPXVFZSA-N 400.544 3.491 0 40 HGAB O[C@H](COc1ccc(-c2ccccc2)cc1)CN1CCCN(c2ncccn2)CC1 72405731 VCNNPYADKSFNCF-QFIPXVFZSA-N 404.514 3.096 0 40 HGAB CN(C(=O)COc1cccc2c1OC(C)(C)C2)C1CCN(CCc2ccccn2)CC1 78720210 YZNNCAPERUMWET-UHFFFAOYSA-N 423.557 3.339 0 40 HGAB Cc1ccc(C)c(S(=O)(=O)NC2CCN(CCOc3ccc(F)cc3)CC2)c1 79062430 HSLFFPVWEBISRJ-UHFFFAOYSA-N 406.523 3.264 0 40 HGAB Cc1cccc(-c2ccc(C(=O)N3CCC(C(=O)Nc4ccccn4)CC3)c(=O)[nH]2)c1 84213152 GFLVXLVDJWAGMO-UHFFFAOYSA-N 416.481 3.236 0 40 HGAB CCOc1ccccc1N1CCN(C(=O)c2nnn(-c3ccc(F)c(C)c3)c2C)CC1 90610288 FIMYHCWWPYXWEX-UHFFFAOYSA-N 423.492 3.384 0 40 HGAB COc1ccc(CN2C[C@H]3CCN(Cc4ccccc4)CC[C@H]3S2(=O)=O)cc1 96145398 LRHMEKLMVWPCAT-IFMALSPDSA-N 400.544 3.121 0 40 HGAB CN1CCN(C(=O)c2cnc(-c3noc4cc(N5CCCCC5)ccc34)s2)CC1 96154621 NMJXQFQDFQQLLQ-UHFFFAOYSA-N 411.531 3.329 0 40 HGAB COc1ccc(-c2nn(CCCC(=O)Nc3cccc(OC)c3)c(=O)cc2OC)cc1 96193031 BCCLASQEDOGDMC-UHFFFAOYSA-N 423.469 3.355 0 40 HGAB N[C@@H](C(=O)NC[C@H]1CC[C@H](c2ccnc(Nc3cncnc3)n2)CC1)c1ccccc1 100708800 DDQOCAOLNDFPTE-LLGFUMIMSA-N 417.517 3.100 0 40 HGAB CC(=O)c1sc(NC(=O)CCN2C(=O)[C@H]3CC=CC[C@H]3C2=O)nc1-c1ccccc1 102850834 HVZSHKSPMKNOET-IYBDPMFKSA-N 423.494 3.293 0 40 HGAB CCCNS(=O)(=O)c1ccc(OCC(=O)N[C@H](C)c2ccccc2)c(Cl)c1 107826617 BMEZILLKZYPGON-CQSZACIVSA-N 410.923 3.285 0 40 HGAB COc1ccc(S(=O)(=O)Nc2ccccc2C)cc1I 113941929 UTXHQHALEGDRQG-UHFFFAOYSA-N 403.241 3.409 0 40 HGAB CCS(=O)(=O)N1C[C@@H](C(=O)NCCCc2ccccc2Cl)Oc2ccccc21 218788436 MVCLEHVQIACDRX-IBGZPJMESA-N 422.934 3.006 0 40 HGAB CCS(=O)(=O)N1C[C@H](C(=O)NCCCc2ccccc2Cl)Oc2ccccc21 218788520 MVCLEHVQIACDRX-LJQANCHMSA-N 422.934 3.006 0 40 HGAB CCS(=O)(=O)N1C[C@@H](C(=O)NCCCc2ccc(Cl)cc2)Oc2ccccc21 218788620 ZHVUFLDWAGDXNJ-IBGZPJMESA-N 422.934 3.006 0 40 HGAB CC[C@H](C(=O)Nc1cccc(C(C)=O)c1)N(c1cccc(OC)c1)S(C)(=O)=O 220621656 VTHFNIUFRCCVLM-LJQANCHMSA-N 404.488 3.081 0 40 HGAB COc1ccccc1N(CCCC(=O)NCCCc1cccc(C)c1)S(C)(=O)=O 222584440 KLPJQZSZLJNFJW-UHFFFAOYSA-N 418.559 3.299 0 40 HGAB CCc1cccc(CC)c1NS(=O)(=O)c1ccc(OCC(=O)N(C)C)c(C)c1 223248276 QXPSZLYPLDLMHK-UHFFFAOYSA-N 404.532 3.388 0 40 HGAB COC(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc(OC)c(OC)c1 224805970 OCXWPQMCNDNHJR-UHFFFAOYSA-N 413.879 3.034 0 40 HGAB CCOC(=O)Cc1ccc(NC(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)cc1 225970400 GLAZHSPXNKCIGF-UHFFFAOYSA-N 410.879 3.069 0 40 HGAB Cc1nc(Cc2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)ncc1C(=O)O 226106362 JTMCAKQPTPQMMG-UHFFFAOYSA-N 411.483 3.040 0 40 HGAB C[C@H](C(=O)Nc1cccc(CN2CCCCCC2)c1)N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 253376078 RXUXNJCGZSDXMR-ZLJPILQHSA-N 421.541 3.197 0 40 HGAB NC(=O)c1cccc(-c2cccc([C@@H]3CN(C(=O)c4ccc(F)cc4)CCO3)n2)c1 257244717 IMMRMZSCLSRTTJ-NRFANRHFSA-N 405.429 3.200 0 40 HGAB C[C@@]1(C2CCN(Cc3cccc(C(=O)O)c3)CC2)CN(c2ccccc2)C(=O)CO1 257297286 RGQVRJWWXWEQTA-DEOSSOPVSA-N 408.498 3.419 0 40 HGAB Cc1cc(C)cc(CN2C[C@@H](c3cccnc3)[C@]3(C2)OCCN(CC2CC2)C3=O)c1 306127650 GEBFPOKBYIOBEZ-ZCYQVOJMSA-N 405.542 3.305 0 40 HGAB O=C(COC(=O)[C@@H]1[C@H]2C[C@@H]3OC(=O)[C@@H]1[C@H]3C2)Nc1ccc(Oc2ccccc2)cc1 408645570 ACFDMYMSKKOQBJ-YXKLBFGUSA-N 407.422 3.158 0 40 HGAB O=C(COC(=O)c1cccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1)Nc1ccc(F)cc1 408655651 HXXZTCSYRYXEOE-RTBURBONSA-N 422.412 3.077 0 40 HGAB COc1ccc(S(=O)(=O)NCC(=O)N(Cc2ccccc2)Cc2ccccc2)cc1 409150023 YJYOTPNTJLUWCT-UHFFFAOYSA-N 424.522 3.203 0 40 HGAB CCn1c([C@@H]2CCCN2C(=O)NCCc2nnc3n2CCCCC3)nc2ccccc21 523136928 UQPBIVVEGXBRQB-IBGZPJMESA-N 421.549 3.463 0 40 HGAB COc1ccc(C(=O)N2CCNC(=O)[C@@H]2c2ccc(C(F)(F)F)cc2)cc1OC 535443710 YOMRGBKVESMZJU-KRWDZBQOSA-N 408.376 3.036 0 40 HGAB O=C(NC[C@H]1OCCc2cn(Cc3ccccc3)nc21)c1ccnc(C(F)(F)F)c1 585112267 NYLODCUHSJQXJT-QGZVFWFLSA-N 416.403 3.389 0 40 HGAB O=C(NCc1ccccn1)c1ccc2c(c1)Cc1cccc(c1)CNCCOCCO2 643583818 BJCAOCGOFRJJKN-UHFFFAOYSA-N 417.509 3.101 0 40 HGAB O=C(N[C@@H](Cc1ccccc1)c1nc(O)n[nH]1)c1cc(-c2c(F)cccc2F)no1 1635464513 YQBHWDCNAACIFR-HNNXBMFYSA-N 411.368 3.157 0 40 HGAB C/C(Cl)=C/CSc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccc(Cl)cc1 728198 JJHSEVKOQRTZBD-YFHOEESVSA-N 411.314 3.360 0 40 HGAB COc1ccc(C2=NN(C(=O)c3ccc(N(C)C)cc3)[C@@](O)(C(F)(F)F)C2)cc1 910698 FDOVNVFYWBEARR-IBGZPJMESA-N 407.392 3.262 0 40 HGAB CCOc1ccccc1N1C[C@@H](C(=O)OCC(=O)Nc2cc(C)ccc2C)CC1=O 1289475 BMGQEVYVPHTHSN-KRWDZBQOSA-N 410.470 3.237 0 40 HGAB COc1ccc(CN(C(=O)CN2C(=O)COc3ccccc32)C2CCCC2)c(OC)c1 1361647 YCGPBNVIIFJOMH-UHFFFAOYSA-N 424.497 3.401 0 40 HGAB CC[C@@H](C)C(=O)Nc1ncc2c(n1)C[C@H](c1cc(OC)c(OC)c(OC)c1)CC2=O 2217003 RPCFHTWQSUMJDC-OLZOCXBDSA-N 413.474 3.400 0 40 HGAB CCOc1ccc(NC(=O)[C@H](C)N(c2ccc(OCC)cc2)S(C)(=O)=O)cc1 2481254 QTFHENFSUIWIPW-HNNXBMFYSA-N 406.504 3.277 0 40 HGAB COc1ccccc1-c1nnc(SCC(=O)N2CCOCC2)n1-c1ccc(C)cc1 3293307 QQUGMIJAIVNGBQ-UHFFFAOYSA-N 424.526 3.202 0 40 HGAB O=C(c1cc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1)N1CCN2CCC[C@H]2C1 4199801 DKBNJAUUKBWPGF-HNNXBMFYSA-N 415.419 3.335 0 40 HGAB Cc1ccccc1NC(=O)CN1N=N[C@H]2C(=O)N(c3ccc(C(C)C)cc3)C(=O)[C@H]21 4483866 LMUKJIPTFKIWLY-UXHICEINSA-N 405.458 3.050 0 40 HGAB CN(C)CCCN(C(=O)CS(=O)(=O)c1ccccc1)c1nc2ccccc2s1 4585335 MQDGCTBFKRAGET-UHFFFAOYSA-N 417.556 3.055 0 40 HGAB CCOc1ccc(CN2CCC(C(=O)N[C@@H](C(=O)OC)c3ccccc3)CC2)cc1 4690047 JSQBIPBMDGVFBI-JOCHJYFZSA-N 410.514 3.328 0 40 HGAB CC(=O)Nc1ccc(NC(=O)[C@@H](C)N(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1 4834931 XVKDIIVAYGGDBM-OAHLLOKOSA-N 403.504 3.055 0 40 HGAB Cc1ccc2nc(COC(=O)c3ccccc3NC(=O)c3ccco3)cc(=O)n2c1 5191862 MRPROJHQEHJIFX-UHFFFAOYSA-N 403.394 3.205 0 40 HGAB CC(C)c1ccc(-n2nnnc2S[C@H](C)C(=O)NC(=O)NC2CCCCC2)cc1 5492937 UKRQEVSZLGYRCS-CQSZACIVSA-N 416.551 3.425 0 40 HGAB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)cc(Cl)c1OCC 6630751 XYRFQTNHRIYLEG-RIYZIHGNSA-N 415.833 3.199 0 40 HGAB Cc1oc2cc(OCCN3CCC(C(N)=O)CC3)ccc2c(=O)c1-c1ccccc1 6764334 UZBCVSAVHBXGLP-UHFFFAOYSA-N 406.482 3.345 0 40 HGAB biogenic CCc1ccc(O[C@H](C)C(=O)N(Cc2ccccc2F)[C@H]2CCS(=O)(=O)C2)cc1 6811089 SYDTWNFBCQUTRK-APWZRJJASA-N 419.518 3.371 0 40 HGAB Cc1nnc(S[C@H](C)C(=O)c2ccc(NS(C)(=O)=O)cc2)n1-c1ccccc1 6985271 MSYKPVLWYIORIC-CYBMUJFWSA-N 416.528 3.311 0 40 HGAB CCCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(OCC)c(OCC)c1 7360484 NRNQLPAHJBKCBH-UHFFFAOYSA-N 406.504 3.425 0 40 HGAB O=C([C@@H]1CC(=O)N(C2CCCC2)C1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 7451446 JYPLYHZQJWMJPQ-OAHLLOKOSA-N 409.452 3.145 0 40 HGAB O=C(Nc1n[nH]c(SCc2ccc(Cl)cc2)n1)[C@@H]1CC(=O)N(C2CCCC2)C1 7814255 KDZJXGFIUOVUDI-CYBMUJFWSA-N 419.938 3.480 0 40 HGAB CCOc1cc2c(cc1CNS(=O)(=O)c1ccc3c(c1)OCCCO3)O[C@@H](C)C2 8058719 SWBMSMOQLRBMHK-AWEZNQCLSA-N 419.499 3.049 0 40 HGAB O=S(=O)(Nc1ccc(-n2cnnn2)cc1)c1ccc(Cl)cc1C(F)(F)F 8130774 DBJZOBCXNSFKPI-UHFFFAOYSA-N 403.773 3.135 0 40 HGAB CN(C1CCCCC1)S(=O)(=O)c1ccccc1NC(=O)CSc1ncccn1 8150651 MEDWAMAOZDRAMJ-UHFFFAOYSA-N 420.560 3.161 0 40 HGAB Cc1ccc(NC(=O)c2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)cc1Cl 8288024 BXZMKXKNEWKOHP-INIZCTEOSA-N 408.907 3.358 0 40 HGAB CC(C)NC(=O)[C@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(-c2ccc(C(C)(C)C)cc2)nn1 8299234 RMWYZZGCGCVRKL-TYPHKJRUSA-N 409.578 3.478 0 40 HGAB biogenic,in-vitro CN(C)S(=O)(=O)c1ccc(NC(=O)c2cc(C3CC3)nn2-c2ccccc2)cc1 8312850 FVWFQCRMRHYZJQ-UHFFFAOYSA-N 410.499 3.252 0 40 HGAB O=C(Nc1nc2c(s1)CCC2)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 8928287 YKRYLYGCFGMCMZ-AWEZNQCLSA-N 411.936 3.077 0 40 HGAB C[C@H](Sc1nnc(CN2CCCC2=O)o1)C(=O)Nc1ncc(Cl)cc1Cl 9514343 GOBAVLFKJCMTOY-QMMMGPOBSA-N 416.290 3.013 0 40 HGAB COc1cc(-c2noc(-c3nnn(-c4cccc(F)c4)c3C)n2)cc(OC)c1OC 10273399 FKVNQQQQTVJEOE-UHFFFAOYSA-N 411.393 3.458 0 40 HGAB COC(=O)c1ccc(CN2CCC(c3ncc(Cl)cc3S(C)(=O)=O)CC2)cc1 12186938 BFWBKBOEYRZYCA-UHFFFAOYSA-N 422.934 3.305 0 40 HGAB COc1ccc([C@@H]2CC(=O)Nc3c2cnn3Cc2ccc3c(c2)OCO3)cc1OC 12371265 JRYDJSZGIMKNPT-HNNXBMFYSA-N 407.426 3.151 0 40 HGAB COC(=O)c1ccc(C)c(NC(=O)c2ccccc2S(=O)(=O)N2CCCCC2)c1 12754320 UJHQSTSATPMIBA-UHFFFAOYSA-N 416.499 3.209 0 40 HGAB CS(=O)(=O)c1ccc(Cl)c(NC(=O)c2ccc(CN3CCCC3=O)cc2)c1 12767957 GTMFBTCXOJXPEP-UHFFFAOYSA-N 406.891 3.118 0 40 HGAB COc1ccccc1[C@H](C(=O)NCc1ccccc1)N(C(=O)c1csnn1)C1CC1 12873347 YCQJRKFPSSKHBK-HXUWFJFHSA-N 422.510 3.209 0 40 HGAB C[C@H](NC(=O)NCCc1ccc2c(c1)OCCO2)c1ccc(NC(=O)C2CC2)cc1 12971629 IFKHFALZWXJQHD-HNNXBMFYSA-N 409.486 3.409 0 40 HGAB O=C(CCN1C(=O)S/C(=C\c2ccc(F)cc2)C1=O)NCCc1ccc(O)cc1 13574829 KSNRZJXCSVJDJF-AQTBWJFISA-N 414.458 3.317 0 40 HGAB CS(=O)(=O)N1CCC(C(=O)Nc2nc(-c3ccc(Cl)s3)cs2)CC1 13704733 ZIWVVZIZKBFKGG-UHFFFAOYSA-N 405.954 3.135 0 40 HGAB O=C(CN1CCC(C(=O)NCc2ccccc2)CC1)Nc1cccc2ncccc12 14074494 ACNMHKVYZKBPSI-UHFFFAOYSA-N 402.498 3.202 0 40 HGAB COc1ccc(CN(CC(=O)N2CCN(Cc3ccccc3F)CC2)C2CC2)cc1 14242644 ZBAMLRWSMGBTJT-UHFFFAOYSA-N 411.521 3.143 0 40 HGAB CS(=O)(=O)c1ccc(Cl)c(NC(=O)CCN2C(=O)CSc3ccccc32)c1 14839898 NSLOBGPHKAYELV-UHFFFAOYSA-N 424.931 3.211 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCC[C@H]2CC(=O)NCc2ccc(C)cc2)cc1 15391074 MCIUDGQIOGHLBE-IBGZPJMESA-N 416.543 3.253 0 40 HGAB C[C@H](C(=O)NCc1ccccc1)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 16422277 ACDCNXGMJLWWQY-MRXNPFEDSA-N 406.452 3.317 0 40 HGAB Cc1nc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)Cc2ccccn2)cc(N(C)C)n1 19240876 MGBWLBYGGFXRTF-OAQYLSRUSA-N 414.513 3.370 0 40 HGAB CO[C@H]1CCC[C@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)c2cc(=O)[nH]c(C)n2)C1 19240969 WMHKQPFECQSXQT-KNBMTAEXSA-N 408.502 3.165 0 40 HGAB O=S(=O)(c1cccc2cccnc12)N1CCC[C@H](c2nnc(-c3ccccn3)o2)C1 19403329 RHITXKPFHJUAFA-INIZCTEOSA-N 421.482 3.248 0 40 HGAB CC(C)[C@@H]1C[C@H](C(F)(F)F)n2nc(C(=O)N3CCCC[C@H]3CN(C)C)cc2N1 19451156 ZRVHWHBVJHWOSU-OFQRWUPVSA-N 401.477 3.383 0 40 HGAB COCCNC(=O)c1sc2ncccc2c1[C@@H]1CCN(C(=O)Cc2ccccc2)C1 19704842 QOELXDKUEIIRIX-QGZVFWFLSA-N 423.538 3.231 0 40 HGAB CCn1nc([C@H](C)C(=O)NCCc2nc3cc(C)c(C)cc3[nH]2)c2ccccc2c1=O 19716974 RDPDZQMRRMFGAE-INIZCTEOSA-N 417.513 3.372 0 40 HGAB Cn1cnc2ccc(NC(=O)[C@@H]3CC(=O)N(CCc4c[nH]c5ccccc45)C3)cc21 19718161 ILDLILCNNDQBQA-MRXNPFEDSA-N 401.470 3.084 0 40 HGAB COC(=O)[C@H](N[C@H]1C(C)=C(C)C(=O)N1Cc1ccc(OC)cc1)c1ccccc1OC 20058054 SQEYVWQLCGFYLQ-FGZHOGPDSA-N 424.497 3.212 0 40 HGAB COc1ccc(NC(=O)CCC(=O)N2CCc3[nH]c4ccccc4c3C2)cc1OC 20761531 KPMBBPCAXYMUJK-UHFFFAOYSA-N 407.470 3.489 0 40 HGAB biogenic CCCCn1c(CN2CC[C@H]3CCCC[C@@H]3C2)nc2cc(S(N)(=O)=O)ccc21 21582667 MGJMOSOSEXRDQM-IAGOWNOFSA-N 404.580 3.496 0 40 HGAB CCC(=O)Nc1cccc(C(=O)OCc2cc(=O)n3c4c(sc3n2)CCCC4)c1 21633549 CQMQOJRVHCJOBQ-UHFFFAOYSA-N 411.483 3.340 0 40 HGAB CCCCC[C@@H](C)NC(=O)CCc1nc2cc(S(N)(=O)=O)ccc2n1CCC 22512571 BQLWFOXOEVMSJU-OAHLLOKOSA-N 408.568 3.111 0 40 HGAB CC(C)C[C@H](NC(=O)[C@@H]1CN(S(C)(=O)=O)c2ccccc2O1)c1ccccc1 22527852 ICWZBGRJUOGBCI-PXNSSMCTSA-N 402.516 3.117 0 40 HGAB COC(=O)c1ccc(OCC(=O)N2CCc3sccc3C2)c(Br)c1 23055151 WCGQLRZFVCEODB-UHFFFAOYSA-N 410.289 3.261 0 40 HGAB COc1cc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(C)s3)C2)cc(OC)c1 24992718 PGDJURXMAUHAHI-AWEZNQCLSA-N 424.544 3.113 0 40 HGAB CSc1cccc(N2C[C@@H](C(=O)N[C@H](C)c3ccc(-n4cncn4)cc3)CC2=O)c1 28668725 CHJUCMRIVNMECP-WBVHZDCISA-N 421.526 3.220 0 40 HGAB CNC(=O)[C@@H]1CN(C(=O)c2ccc(C(=O)c3ccccc3)cc2)c2ccccc2O1 29767374 VWMWHJNUIWQUBG-NRFANRHFSA-N 400.434 3.071 0 40 HGAB O=C(COc1cccc(C(F)(F)F)c1)NC[C@@H](c1cccs1)N1CCOCC1 29841190 YXIWYVYZWMBLFC-INIZCTEOSA-N 414.449 3.335 0 40 HGAB CCNc1nc(SCC(=O)c2ccc(NS(C)(=O)=O)cc2)nc2ccccc12 30342797 YZUWUDZIBHOQSG-UHFFFAOYSA-N 416.528 3.408 0 40 HGAB CCN1CCN(c2ccc(NC(=O)NC[C@H]3COc4ccccc4O3)cc2C)CC1 31027441 KXAHHTNENQWOGI-IBGZPJMESA-N 410.518 3.098 0 40 HGAB Cc1ccn2c(=O)cc(CN3CCN(Cc4cccc(C(F)(F)F)c4)CC3)nc2c1 32718930 ANMMARDRRIIBLD-UHFFFAOYSA-N 416.447 3.340 0 40 HGAB CC(=O)Nc1cc(C)nn1-c1ccc(NS(=O)(=O)c2ccc3c(c2)CCC3)cc1 32833626 QMXIBTVFIVDVKY-UHFFFAOYSA-N 410.499 3.429 0 40 HGAB CN(C)Cc1ccc(-c2ccccc2CNC(=O)c2cnc3sccn3c2=O)cc1 32908712 UOBFHHODBPCLRV-UHFFFAOYSA-N 418.522 3.415 0 40 HGAB COc1cc(OC)c2cc(C(=O)NC[C@H](c3ccsc3)N(C)C)[nH]c2c1OC 33047449 JKSNCMZFHYXTPV-OAHLLOKOSA-N 403.504 3.288 0 40 HGAB C[C@H]1CCCN(c2nn(CC(=O)Nc3ccc4c(c3)OCO4)c(=O)c3ccccc23)C1 33175085 JWMDITNIVHLCRH-HNNXBMFYSA-N 420.469 3.000 0 40 HGAB O=C(C1=C(c2ccccc2)S(=O)(=O)CCO1)N(Cc1ccco1)Cc1ccco1 36356958 LUGOXULGNCPIPL-UHFFFAOYSA-N 413.451 3.215 0 40 HGAB O=C(NCc1ccc(N2CCCCCC2)nc1)[C@@H]1CCCN(C(=O)c2ccoc2)C1 40122095 VDCUJCCRGNIPDM-LJQANCHMSA-N 410.518 3.224 0 40 HGAB CCC(=O)N1CCc2cc(C(=O)N3CCC(c4nnc5ccccn45)CC3)ccc21 40145101 BOOJSHFCOOXEBB-UHFFFAOYSA-N 403.486 3.048 0 40 HGAB Cc1ccc(OCC(=O)N2CCN(C(=O)COc3ccc(Cl)cc3)CC2)c(C)c1 40155992 ALINRLJFOPKRIR-UHFFFAOYSA-N 416.905 3.085 0 40 HGAB COc1cc(OC)c(C2=NO[C@]3(CC(=O)N(c4c(C)cccc4C)C3=O)C2)cc1OC 40283235 YYQMRILZUUAYLQ-QHCPKHFHSA-N 424.453 3.156 0 40 HGAB CN(C)[C@H](CNC(=O)c1ccccc1I)Cc1ccccc1 42671967 XATXJZVIYHNBSR-HNNXBMFYSA-N 408.283 3.194 0 40 HGAB CS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)O)c1cc(Cl)cc(Cl)c1 44791440 FKSXDCCGGAVXSX-UHFFFAOYSA-N 417.270 3.096 0 40 HGAB CC[C@H](C(=O)N[C@@H](C)c1ccc(OC)cc1)N(c1ccc(C)cc1)S(C)(=O)=O 44903182 BTCRWSOZQVGYML-OXJNMPFZSA-N 404.532 3.426 0 40 HGAB CN(C)S(=O)(=O)c1ccc(CNC(=O)Nc2ccccc2Br)cc1 47688496 GBTHHDDDQLPWGG-UHFFFAOYSA-N 412.309 3.021 0 40 HGAB Cc1ccc(C)c(NC(=O)Cn2nc3ccc(-c4ccc(C)c(C)c4)nn3c2=O)c1 49399250 QZUQFBFSCWAFFB-UHFFFAOYSA-N 401.470 3.430 0 40 HGAB COc1ccc(CNC(=O)Cn2c(Nc3ccc(F)c(C)c3)nc(C)cc2=O)cc1 57507778 YRCHTOUFVDDXBA-UHFFFAOYSA-N 410.449 3.068 0 40 HGAB O=C(Nc1ccccc1C(=O)NCc1cccnc1)c1cccc(N2CCCC2=O)c1 61239211 BNHFJZWDPRNLCZ-UHFFFAOYSA-N 414.465 3.391 0 40 HGAB CC[C@@H](C)NC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(C)cc2)c2ccc(C)cc2O1 64985940 TVPYGCCKSNZWDM-UZLBHIALSA-N 402.516 3.174 0 40 HGAB CCc1ccc(-c2cc3c(=O)n(CC(=O)N(CC)c4ccccc4)ncn3n2)cc1 67208742 BEVZANMSTOMKBS-UHFFFAOYSA-N 401.470 3.174 0 40 HGAB CC(C)c1ccc(-c2cc3c(=O)n(CCC(=O)N4CCSCC4)ccn3n2)cc1 67262333 UGQGUEJSGBOSRW-UHFFFAOYSA-N 410.543 3.252 0 40 HGAB Cc1cc(C(=O)CCC(=O)NCc2ccc(N3CCCN(C)CC3)nc2)c(C)s1 70037572 KMORQZHQCPKUJX-UHFFFAOYSA-N 414.575 3.181 0 40 HGAB CC(=O)N1CCc2cc(S(=O)(=O)NCCOc3ccccc3C(C)C)ccc21 78923627 BKLZUKWTHGOZAK-UHFFFAOYSA-N 402.516 3.076 0 40 HGAB Cc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)NCc1ccc(C(N)=O)o1 78985838 RCJMWAQIYJBICJ-UHFFFAOYSA-N 400.438 3.470 0 40 HGAB CCOC[C@@H](C(=O)OC)N(C)C(=O)/C=C/c1ccc(OCc2csc(C)n2)cc1 79107375 HDAHZHZNZGPXJZ-BLRBJFNZSA-N 418.515 3.080 0 40 HGAB O=C(CCC1CCCC1)N1CCN(C(=O)c2ccc(OC[C@H]3CCCO3)cc2)CC1 84387875 TTWWXHVKYVUWPN-JOCHJYFZSA-N 414.546 3.499 0 40 HGAB C[C@@H]1[C@H](c2ccc(Br)cc2)OCCN1C(=O)NCCOc1cccnc1 95441271 IKZOUTNKOXUMTB-RDTXWAMCSA-N 420.307 3.395 0 40 HGAB COc1cc(NC(=O)c2cc(-c3c(C)nn(C)c3C)[nH]n2)ccc1-n1nc(C)cc1C 95480875 NNANBEUUUSUVIT-UHFFFAOYSA-N 419.489 3.490 0 40 HGAB Cc1cc(F)c(S(=O)(=O)N2CC(=O)Nc3cc(C(F)(F)F)ccc32)cc1F 97164874 JIIZFBBPSKKGAD-UHFFFAOYSA-N 406.332 3.439 0 40 HGAB COc1ccccc1CNC(=O)[C@@H]1[C@@H](c2nc3ccccc3c(=O)[nH]2)[C@H]2C=C[C@H]1C2 100453981 SWIKHZHVYJATFY-PBFVBANWSA-N 401.466 3.154 0 40 HGAB COc1ccc(C2=C[C@H](c3cc(OC)c(OC)c(OC)c3)n3ncnc3N2)cc1OC 100834916 PPTMDIZKJZBSGT-MRXNPFEDSA-N 424.457 3.377 0 40 HGAB COc1ccc([C@H]2C=C(C(=O)O)Nc3c(C(=O)Nc4ccccc4C)cnn32)cc1 101299784 NQJQDKISZLUJJS-LJQANCHMSA-N 404.426 3.436 0 40 HGAB COc1ccc(OC)c(N([C@H](C)C(=O)Nc2cc(C)cc(C)c2)S(C)(=O)=O)c1 220206097 INHFSRMHWZKIPS-OAHLLOKOSA-N 406.504 3.114 0 40 HGAB C[C@@H](C(=O)Nc1ccc(Br)cc1Cl)N1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O 222460623 LWNFBBHZXRVXCF-UZGCMYEVSA-N 423.694 3.237 0 40 HGAB Cc1ccc(OC[C@H](C)NC(=O)CCCN(c2ccccc2C)S(C)(=O)=O)cc1 222562677 YGJHHOJHFPPISM-IBGZPJMESA-N 418.559 3.433 0 40 HGAB O=C(O)c1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCCO)o2)cc1 223631685 MTXANBLRWVXZCW-VQTJNVASSA-N 423.494 3.395 0 40 HGAB CCN(Cc1ccc(C(=O)NCc2ccccn2)cc1)S(=O)(=O)c1ccccc1 224446732 QCQPQKDJKFBUBT-UHFFFAOYSA-N 409.511 3.222 0 40 HGAB COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(C)[nH]2)cc1 225229791 SPMXGTJOQMPLMM-RTWAWAEBSA-N 421.526 3.480 0 40 HGAB FC(F)(F)c1cccc(N2CCN(C3CCN([C@H]4CCSC4)CC3)CC2)n1 245093423 RMYDTXNFBGDQSL-INIZCTEOSA-N 400.514 3.192 0 40 HGAB CC(C)c1nccn1CC(=O)N1CCO[C@@H](c2ccc(Nc3ccc(F)cn3)cn2)C1 257289814 QAHNZDUXQAMYJO-LJQANCHMSA-N 424.480 3.279 0 40 HGAB CC(=O)[C@]1(OS(=O)(=O)O)CC[C@@H]2[C@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 257348443 FOZOMGIBIVGVDR-LTGKAUERSA-N 412.548 3.457 0 40 HGAB CCC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C 408561158 GXEQZSCUJWQCTP-KRWDZBQOSA-N 416.543 3.430 0 40 HGAB Cc1cc(S(=O)(=O)NC(C)C)ccc1OCC(=O)N[C@@H](C)CCc1ccccc1 408584288 NUZBCSRKZZBUIF-SFHVURJKSA-N 418.559 3.198 0 40 HGAB CC(=O)c1cccc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccccc2)c1 408597886 WEBMWGSTRVRLAN-JOCHJYFZSA-N 422.506 3.418 0 40 HGAB COC(=O)CN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)NC1=S 409201894 OYRGHJKJVGDPQA-QPEQYQDCSA-N 411.266 3.484 0 40 HGAB O=C(NCCn1c(O)nc2ccccc21)N1CC=C(c2ccc3c(c2)OCCO3)CC1 540007547 HJBUXQCLFLVJNU-UHFFFAOYSA-N 420.469 3.012 0 40 HGAB Cc1nn(C)c(C)c1-c1cc(C(=O)N2CCC[C@@H]2c2cccc3c2OCCO3)n[nH]1 589580961 QJVMGCOSDOFMLJ-GOSISDBHSA-N 407.474 3.176 0 40 HGAB Brc1cnc(OCC2CCN(Cc3cn4ccccc4n3)CC2)nc1 1775969380 NVSLRKYTBXLTQY-UHFFFAOYSA-N 402.296 3.178 0 40 HGAB CCOc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3cccc(C)c3C)CC2=O)cc1 800370 DKWTUXLJTUFHJD-KRWDZBQOSA-N 410.470 3.237 0 40 HGAB O=C(NC1(C(F)(F)F)Oc2ccccc2O1)N1CCN(c2ccc(F)cc2)CC1 937440 WVCKIKLGXUDUQC-UHFFFAOYSA-N 411.355 3.345 0 40 HGAB Cc1cc(NC(=O)CN(c2ccccc2C)S(C)(=O)=O)ccc1Br 1099401 QKNLRHBTQLJLGC-UHFFFAOYSA-N 411.321 3.471 0 40 HGAB O=C(N[C@H]1CCCc2ccccc21)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 1345863 JCVOHAUNFMEJPO-UNMCSNQZSA-N 412.555 3.422 0 40 HGAB CCN1C(=O)[C@H](CC(=O)Nc2ccc(OC)cc2)N(Cc2ccc(F)cc2)C1=S 2233603 WQSXKPHSXHMDMP-SFHVURJKSA-N 415.490 3.181 0 40 HGAB COc1ccc([C@@H](NC=O)c2cc(OC)c(OC)cc2Br)cc1OC 2291773 SNKYYZWONBESHP-GOSISDBHSA-N 410.264 3.319 0 40 HGAB COC(=O)[C@](NS(=O)(=O)c1ccccc1)(c1c[nH]c2ccccc12)C(F)(F)F 3103071 FVZXGNIMLMYIQO-QGZVFWFLSA-N 412.389 3.077 0 40 HGAB COC(=O)c1ccc(NC(=O)COC(=O)/C=C/c2ccc(Br)o2)cc1 3269065 UKZOZOYJBORPMV-VQHVLOKHSA-N 408.204 3.024 0 40 HGAB COc1cccc(NC(=S)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)c1 3444588 PVYFQJPDJAWXDZ-UHFFFAOYSA-N 415.500 3.095 0 40 HGAB CC1=C(C(=O)OCCSc2ccccc2)[C@H](c2ccc3c(c2)OCO3)NC(=O)N1 4315244 LWKDAJNOWQAISD-IBGZPJMESA-N 412.467 3.379 0 40 HGAB O=C(Cn1c(SCC(=O)N2CCCCC2)nc2ccccc21)NC1CCCC1 4859102 YUOFJMAUSKFUNR-UHFFFAOYSA-N 400.548 3.200 0 40 HGAB Cc1ccc(NC(=O)N(CCCO)Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)cc1 4860171 MRKJRZNECAGWHO-UHFFFAOYSA-N 423.469 3.024 0 40 HGAB Cc1cc(Cl)ccc1OC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 5462615 CQIUVYFCEBAHPC-UHFFFAOYSA-N 413.854 3.028 0 40 HGAB CCOc1ccc([C@@H]2NC(=S)NC(C)=C2C(=O)NCc2ccccc2)cc1OC 6554507 YRBWCDZBMIYMIG-FQEVSTJZSA-N 411.527 3.203 0 40 HGAB CC(=O)NCc1ccc(C(=O)CSc2nnc(-c3cccnc3)n2C2CC2)s1 7799869 ZEPCAUFFOAGUAP-UHFFFAOYSA-N 413.528 3.348 0 40 HGAB CN(Cc1ccco1)C(=O)c1cccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c1 8195475 CREHIPSSOUKQOF-UHFFFAOYSA-N 414.439 3.081 0 40 HGAB Cc1sc2nc(CSc3nnc(NC[C@@H]4CCCO4)s3)[nH]c(=O)c2c1C 8215938 DITIXFPKKCMTED-JTQLQIEISA-N 409.562 3.336 0 40 HGAB Cc1sc2nc(CSc3nnc(NC[C@H]4CCCO4)s3)[nH]c(=O)c2c1C 8215943 DITIXFPKKCMTED-SNVBAGLBSA-N 409.562 3.336 0 40 HGAB CN(C)C(=O)[C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(-c2ccc(-c3ccccc3)cc2)nn1 8299139 RHEGSCLUDRJLLO-ZLNRFVROSA-N 415.541 3.411 0 40 HGAB biogenic,in-vitro CC(C)c1ccc([C@]2(C)NC(=O)N(CC(=O)NCCCc3ccccc3)C2=O)cc1 8312407 HQGGDJBHASQSLH-DEOSSOPVSA-N 407.514 3.326 0 40 HGAB COc1cc(CNCc2ccccc2Cl)cc(Br)c1OCC(N)=O 8470014 MIVVMQUJNOSLBX-UHFFFAOYSA-N 413.699 3.265 0 40 HGAB Cc1ccc(S(=O)(=O)CCC(=O)OCC(=O)Nc2ccc(Cl)cc2C)cc1 8626031 DQXNRMYPWXWYHM-UHFFFAOYSA-N 409.891 3.303 0 40 HGAB CC(=O)c1ccccc1NC(=O)CN(C)CC(=O)Nc1ccc(OC(F)(F)F)cc1 8988530 TYFBOJTXQWLRPY-UHFFFAOYSA-N 423.391 3.297 0 40 HGAB O=C(CN(Cc1ccco1)[C@H]1CCS(=O)(=O)C1)Nc1ccc(Cl)cc1Cl 10833956 ZCFYVTOGSQXXOD-ZDUSSCGKSA-N 417.314 3.214 0 40 HGAB Cc1ccc(C(=O)N[C@@H](C(=O)NCCc2cnn(-c3ccccc3)c2)C(C)C)cc1 11147566 OKDVNSCDQNSJBX-JOCHJYFZSA-N 404.514 3.294 0 40 HGAB CN1CCC(N(C)C(=O)c2c(-c3ccccc3)c(-c3ccccc3)nn(C)c2=O)CC1 12016342 FRRCNUFNEWNSBO-UHFFFAOYSA-N 416.525 3.281 0 40 HGAB COc1cc(CNC(=O)[C@@H]2CCCN(c3nc4ccccc4n3C)C2)cc(OC)c1 12116444 PCDKALIPDXPVSN-QGZVFWFLSA-N 408.502 3.123 0 40 HGAB Cc1cc(=O)[nH]c(-n2nc(C3CC3)cc2NC(=O)COc2ccc(C(C)C)cc2)n1 12123460 KKGYKPLDAWQOLN-UHFFFAOYSA-N 407.474 3.282 0 40 HGAB COc1ccc(CC(=O)N2CCC[C@@H]2Cn2nc(-c3cccs3)ccc2=O)cc1 12182811 ZPHXYDLTXOWBFC-QGZVFWFLSA-N 409.511 3.214 0 40 HGAB CC(C)N1CCC(C(=O)N2CCC[C@@H](c3nc4ccccc4cc3C(N)=O)C2)CC1 12220200 UHJZTQNIJZGWGL-LJQANCHMSA-N 408.546 3.160 0 40 HGAB Cc1nn(CC(=O)N2CCCc3ccccc32)c(=O)c2c1cnn2-c1ccc(F)cc1 12228218 LMWCCEVNZLXSKD-UHFFFAOYSA-N 417.444 3.009 0 40 HGAB COc1ccccc1CCNC(=O)[C@H]1CCCN(C(=O)c2cc3ccccc3[nH]2)C1 12321668 VUKUJFKTUGTWGR-IBGZPJMESA-N 405.498 3.388 0 40 HGAB COc1ccc2[nH]c3c(c2c1)CN(C(=O)CSc1nc2ccccc2c(=O)[nH]1)CC3 12409653 GBXUKXRKPVWBIO-UHFFFAOYSA-N 420.494 3.090 0 40 HGAB biogenic Cc1ccc(-n2c(C)nn(CN(CC(C)C)[C@@H]3CCS(=O)(=O)C3)c2=S)cc1 12514911 WTTWTJVDXGJDCY-GOSISDBHSA-N 408.593 3.123 0 40 HGAB Cc1nn(CC(=O)N2CCC(c3noc(-c4ccncc4)n3)CC2)c(C)c1Cl 12669315 YWXKMQZYDIPDTM-UHFFFAOYSA-N 400.870 3.005 0 40 HGAB COc1ccc(Br)cc1CN1C(=O)C(=O)N(c2ccc(C)cc2)C1=O 12736649 MKAHRUPMFNWLEN-UHFFFAOYSA-N 403.232 3.262 0 40 HGAB Cc1ccc(-c2nnc(CCC(=O)NCC3(N4CCOCC4)CCCCC3)o2)cc1 12791687 WFJJMNHILHAXLE-UHFFFAOYSA-N 412.534 3.129 0 40 HGAB CCOc1ccc(C(=O)NCC(=O)NC23CC4CC(CC(C4)C2)C3)cc1OCC 13005561 CRVKRJUCDNTGIA-UHFFFAOYSA-N 400.519 3.299 0 40 HGAB CN1C(=O)NC(=O)/C(=C2\C[C@H](c3ccc4c(c3)OCO4)Sc3ccccc3N2)C1=O 13592005 SXZUIBQBVDPHTE-GFWHJHDHSA-N 423.450 3.027 0 40 HGAB COc1ccc(-c2ccc(=O)n(CCCNC(=O)Nc3cccc(OC)c3)n2)cc1 13800825 LGKUTMICUPBODF-UHFFFAOYSA-N 408.458 3.139 0 40 HGAB CCOc1ccccc1N(CC(=O)NC(C)C)S(=O)(=O)c1ccc(Cl)cc1 16693466 OHRMXNQLSIKWTG-UHFFFAOYSA-N 410.923 3.459 0 40 HGAB C[C@H]1CCCC[C@@H]1NC(=S)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 17083245 BVPYLFVLTHYVQT-BBRMVZONSA-N 405.549 3.143 0 40 HGAB Cc1nc(C)n(C[C@@H](C)C(=O)Nc2nc3c(s2)CN(Cc2ccccc2)CC3)n1 19285970 LIFFDAPRVVJXRK-CQSZACIVSA-N 410.547 3.185 0 40 HGAB O=C(c1cccs1)N1CCc2nc([C@H]3CCCN3C3CCCCC3)[nH]c(=O)c2C1 19342824 PTDQZZYKYTZHSZ-GOSISDBHSA-N 412.559 3.500 0 40 HGAB COc1cccc(CN2CCc3c(nc(C(C)C)nc3N3CCOCC3)C2)c1OC 19453719 YYTATCDNKKPAKF-UHFFFAOYSA-N 412.534 3.012 0 40 HGAB Cc1nc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)Cc2sc(C)nc2C)cc(=O)[nH]1 19560459 ATNMWDHRPQHNED-GOSISDBHSA-N 421.526 3.276 0 40 HGAB CN(C)c1ncc(-c2cccc(Cl)c2)c([C@H]2CCCN2C(=O)Cn2cccn2)n1 19689806 MOFCINLCPRDIPN-GOSISDBHSA-N 410.909 3.423 0 40 HGAB Cc1cnc(C(=O)N2CCC[C@@H](c3nc(N(C)C)ncc3-c3ccc(F)cc3)C2)cn1 19693999 FHXIXHYWEJUYGE-QGZVFWFLSA-N 420.492 3.467 0 40 HGAB CN(C)c1ncc(CN2CC[C@@H](c3cc(COc4cccc(Cl)c4)[nH]n3)C2)cn1 19704613 NOJWIJSYUAWGSY-MRXNPFEDSA-N 412.925 3.488 0 40 HGAB Cc1noc(CCC(=O)N2CCC[C@@H](N(C)C(=O)c3nccc4ccccc34)CC2)n1 19749891 XGDUEWMFDBFXTA-GOSISDBHSA-N 421.501 3.012 0 40 HGAB CCOC(=O)c1ccc(NC(=O)c2ccccc2N(C)S(C)(=O)=O)cc1Cl 20462010 IWPDBNQJPHLDFD-UHFFFAOYSA-N 410.879 3.165 0 40 HGAB CC(C)CN1C(=O)[C@]2(NC(=O)c3ccccc3N2)c2cc(Br)ccc21 20673492 BWPCHQCFQOYNGY-LJQANCHMSA-N 400.276 3.460 0 40 HGAB Cc1sc2nc(S[C@@H](C)C(=O)Nc3ccc4c(c3)OCO4)n(C)c(=O)c2c1C 21370338 GDMREEZJOIVFSX-NSHDSACASA-N 417.512 3.460 0 40 HGAB O=C(Cn1nc(C2CC2)c2cnn(-c3ccccc3)c2c1=O)Nc1ccc(F)cc1 22767874 ICDCLISTHDLAOM-UHFFFAOYSA-N 403.417 3.237 0 40 HGAB COC(=O)c1cccc2c1CCCN2S(=O)(=O)c1ccccc1Br 24351546 RKVWLPAPVCXQNL-UHFFFAOYSA-N 410.289 3.377 0 40 HGAB CCC[C@H](C)NC(=O)C1CCN(S(=O)(=O)Cc2c(F)cccc2Cl)CC1 24613237 MEHQPVVLGSCPMN-ZDUSSCGKSA-N 404.935 3.326 0 40 HGAB COc1cccc(OC[C@@H](O)CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 25196650 QWZLNSVSMLGPBA-SFHVURJKSA-N 410.436 3.276 0 40 HGAB C[C@H](Oc1cccc(Cl)c1Cl)C(=O)NCc1cccnc1N1CCOCC1 32637875 DCDHUIOINIQNEP-ZDUSSCGKSA-N 410.301 3.309 0 40 HGAB O=C(COc1ccc(OCc2ccccc2)cc1)N1CCN(Cc2ccncc2)CC1 32721382 CDBDQPSONIDUKA-UHFFFAOYSA-N 417.509 3.384 0 40 HGAB COc1cc(OC)c(C2=CCN(CC(=O)Nc3nc(C)cs3)CC2)c(OC)c1 32804023 NCHNPZBMCSOEQP-UHFFFAOYSA-N 403.504 3.205 0 40 HGAB CSc1cccc(NC(=O)N2CCC3(CC2)N=C(c2ccc(F)cc2)C(=O)N3)c1 35432291 ZCWUEICZMOEGHQ-UHFFFAOYSA-N 412.490 3.491 0 40 HGAB O=C(Cn1nc2c(c1NC(=O)c1c[nH]c3ccccc13)CSC2)NCc1ccco1 35596862 SDRWXZPFIRGWHG-UHFFFAOYSA-N 421.482 3.273 0 40 HGAB COCc1nnc(NC(=O)[C@H]2c3ccccc3C(=O)N(C)[C@@H]2c2ccccc2)s1 36360109 HIYOPYUBLHYXPV-ZWKOTPCHSA-N 408.483 3.234 0 40 HGAB C[C@@H](C(=O)N(C)c1ccccc1)S(=O)(=O)Cc1cc(Cl)c2c(c1)OCCO2 36396421 WJKNAGQIBLYPRJ-ZDUSSCGKSA-N 409.891 3.078 0 40 HGAB CCn1c(SCC(=O)NCCc2ccc(Cl)cc2)nc2cc(C)[nH]c2c1=O 57521978 JRPFEXPJKONRRV-UHFFFAOYSA-N 404.923 3.157 0 40 HGAB CCOC(=O)c1ccn(-c2ccc(NC(=O)/C=C/c3ccc4c(c3)OCCO4)cc2)n1 58015573 OUFPNSVSUOCNOM-ONNFQVAWSA-N 419.437 3.472 0 40 HGAB CCOc1ccc(Oc2ccc(S(=O)(=O)NC(CC)(CC)C(N)=O)cc2)cc1 58439303 XMXDJAQXBZLSPQ-UHFFFAOYSA-N 406.504 3.200 0 40 HGAB COc1ccc(NC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2Cc2ccco2)cc1 67236313 IWNVBKPUNHSEKV-UHFFFAOYSA-N 424.482 3.414 0 40 HGAB C[C@H](Oc1ccccc1F)C(=O)Nc1nnc([S@@](=O)Cc2ccccc2)s1 72238654 LKBOWFJTDPDXJO-BIXPNRAVSA-N 405.476 3.391 0 40 HGAB Cn1cnc(S(=O)(=O)N2CCC[C@H](c3cccc(Cc4ccc(F)cc4)n3)C2)c1 72350340 NSBZGZYTPXJMRL-KRWDZBQOSA-N 414.506 3.113 0 40 HGAB CS(=O)(=O)C[C@@H](NC(=O)/C=C/c1ccccc1Br)c1ccccc1 83984500 IIURJYVHUACLON-FMQWLBJXSA-N 408.317 3.364 0 40 HGAB CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCCSC[C@H]1CN1CCOCC1 90609080 PJJCIYGSQMYUAG-QGZVFWFLSA-N 412.983 3.164 0 40 HGAB O=S(=O)(NCCn1nc(C2CC2)cc1C1CC1)c1ccc(Br)s1 96121779 VKAWKXSXYUMBQA-UHFFFAOYSA-N 416.366 3.440 0 40 HGAB CCN1CC[C@]2(CN(CC(C)C)CC23CCN(C(=O)Cc2ccsc2)CC3)C1=O 96144329 LYYQDOHJPAJPAZ-QHCPKHFHSA-N 417.619 3.110 0 40 HGAB CC(C)c1ccc(CN2CC[C@@]3(CC(C(=O)N4CCC(N(C)C)CC4)=NO3)C2)cc1 96225683 QJLUJDFCDCCWKG-XMMPIXPASA-N 412.578 3.083 0 40 HGAB O=C(CCN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O)Nc1nc(-c2ccccc2F)cs1 100773994 TXUMZDMMGQAFBT-BMEPFDOTSA-N 413.474 3.309 0 40 HGAB Cc1ccc(Cl)cc1N1CCN(S(=O)(=O)C[C@@]23CC[C@H](CC2=O)C3(C)C)CC1 100937603 AFRMFWLXYPQQJG-IERDGZPVSA-N 424.994 3.496 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)NCc1ccccc1 222945749 KKNXNTICYHPKSB-UHFFFAOYSA-N 416.543 3.119 0 40 HGAB CCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)COc1ccc(Br)cc1 223534457 ZVFQPEAZOJASEJ-OAHLLOKOSA-N 419.319 3.381 0 40 HGAB CC[C@@H](C)NC(=O)c1ccc(OC)c(CN(c2ccc(F)cc2)S(C)(=O)=O)c1 224754889 JUEGDCYWVJDNRS-CQSZACIVSA-N 408.495 3.329 0 40 HGAB CCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)COc1ccc(F)cc1 225006967 KBHJPSXHMFSERP-INIZCTEOSA-N 402.466 3.157 0 40 HGAB COc1ccc(CN(C)S(=O)(=O)c2ccc(SC)c(NC(C)=O)c2)cc1OC 225819630 UJBZREXQSNUOSV-UHFFFAOYSA-N 424.544 3.205 0 40 HGAB O=C(NC[C@@H]1CCCO1)c1nc([C@@H]2CCCN2C(=O)c2ccccc2)n2ccccc12 306136233 PNPBAHJSSDOLJL-ICSRJNTNSA-N 418.497 3.220 0 40 HGAB Cc1cc(CN2CCC[C@@]3(CN(Cc4ccoc4C)CC(F)(F)C3)C2=O)n(C)n1 306144183 YYEVGHXDHDIFKN-HXUWFJFHSA-N 406.477 3.280 0 40 HGAB O=C(NCc1nnc2n1C[C@H](C(F)(F)F)CC2)c1csc(-c2ccccc2)n1 390831586 SQXHSHFYLYKDFU-GFCCVEGCSA-N 407.421 3.456 0 40 HGAB COc1ccc(OC)c(NS(=O)(=O)c2ccc(C)c(C(=O)NCC(C)C)c2)c1 408595442 RUVMCVVSSCVKFC-UHFFFAOYSA-N 406.504 3.199 0 40 HGAB CN1C(=O)CC[C@H](C(=O)Nc2cccc(C(N)=O)c2)[C@H]1c1ccc(C(F)(F)F)cc1 522320573 AUVMMJZWRFSUIJ-FUHWJXTLSA-N 419.403 3.353 0 40 HGAB CN(C)CCNC(=O)c1cccc(CNC(=O)N2CC(C)(C)[C@H]2c2ccccc2)c1 589675686 YQKCUWLBUYZCQQ-OAQYLSRUSA-N 408.546 3.271 0 40 HGAB COc1cc(/C=C/c2nn3c([C@@H]4CCCN(C)C4)nnc3s2)cc(OC)c1OC 1505838470 YEPLRUAROODKJH-HSBSLETESA-N 415.519 3.191 0 40 HGAB COc1ccc(C(=O)[C@@H](NCCc2ccc(O)cc2)c2oc(C)cc(=O)c2O)cc1 1547138663 DWOMFQMIARWVBB-HXUWFJFHSA-N 409.438 3.124 0 40 HGAB biogenic CC(C)(C)OC(=O)C[C@@H]1C[C@@H](CCNC(=O)CCCn2cccc2)OC(C)(C)O1 1565519894 LJLWLEKPWCBNGR-MSOLQXFVSA-N 408.539 3.417 0 40 HGAB biogenic O=C(c1cc(C2CC2)on1)N1CCC[C@@H](COc2ncc(Br)cn2)C1 1775995778 INQAMBFIWAMJQL-LLVKDONJSA-N 407.268 3.036 0 40 HGAB CC(C)(C)OC(=O)N1CCN(CCCOc2ccc3nccc(C(=O)O)c3c2)CC1 1857524119 KBBYDJRXNXHGLM-UHFFFAOYSA-N 415.490 3.255 0 40 HGAB FC(F)(F)c1ccc(N2CC[C@@H](COc3ccc4nnc(C5CC5)n4n3)C2)nc1 1888890236 PIMIRVHURWESKZ-GFCCVEGCSA-N 404.396 3.321 0 40 HGAB CC1=C(C(=O)OCC(C)C)[C@@H](c2cc3c(cc2Br)OCO3)NC(=O)N1 823559 RGYMORXGQYQPKE-OAHLLOKOSA-N 411.252 3.005 0 40 HGAB Cc1ccc(NC(=O)c2ccc3c(c2)N(CC(=O)NC(C)C)C(=O)C(C)(C)O3)cc1 1342411 LYJODPXTRYRTTM-UHFFFAOYSA-N 409.486 3.276 0 40 HGAB C[C@H]1CCC=C2C[C@H]3OC(=O)[C@@H](CN4CCC(N5CCCCC5)CC4)[C@H]3[C@H](O)[C@@]21C 2102026 GQWCDWWREXSFDW-GJLHXFCQSA-N 416.606 3.222 0 40 HGAB Cn1c(=O)c2c3c(sc2n2c(SCC(=O)c4ccccc4)nnc12)CCCC3 2286271 YMFVVUVMAWDXMF-UHFFFAOYSA-N 410.524 3.497 0 40 HGAB O=S(=O)(c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1)N1CCOCC1 3219862 NVCLDVCNHPRUPH-UHFFFAOYSA-N 411.439 3.171 0 40 HGAB aggregator COc1ccc(OC)c(C(=O)COC(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)c1 3239966 RJRLHQQCEJXNQS-RMKNXTFCSA-N 416.426 3.169 0 40 HGAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)CSc2nc3ccccc3o2)c1 3503820 YVZCSQYPNIBVQA-UHFFFAOYSA-N 400.412 3.132 0 40 HGAB CC(C)Oc1ccc(CO[C@H]2[C@@H]([C@H]3COC(C)(C)O3)O[C@@H]3OC(C)(C)O[C@H]23)cc1 4029485 FHSMXIYGMBHZTJ-OUUBHVDSSA-N 408.491 3.387 0 40 HGAB biogenic CC(C)c1ccccc1NC(=O)CSc1nnc(CNC(=O)c2ccco2)n1C 4944051 KSKJCFUQGUHGMO-UHFFFAOYSA-N 413.503 3.192 0 40 HGAB COc1ccc(C2=NO[C@@]3(CC(=O)N(c4cccc(Cl)c4)C3=O)C2)cc1OC 5323656 UFPBWLLQBLWJDT-HXUWFJFHSA-N 400.818 3.184 0 40 HGAB CCOC(=O)C1=NN(c2ccc(Cl)cc2)[C@H](c2cccs2)N(C(C)=O)N1C 5716805 DVQFWKHUQKIYDO-KRWDZBQOSA-N 406.895 3.492 0 40 HGAB COc1ccc2[nH]c(=O)c(CN(CCCN(C)C)C(=O)NC3CCCCC3)cc2c1 5988049 WAXXBJSMEYSWEO-UHFFFAOYSA-N 414.550 3.333 0 40 HGAB CCCCNC(=O)c1ccccc1NC(=O)[C@@H](C)N(c1ccccc1)S(C)(=O)=O 6323153 UVRPBSQVYRRXCZ-MRXNPFEDSA-N 417.531 3.010 0 40 HGAB CCC[C@@H](C)NC(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(C)(=O)=O 6324772 WOMZGRKNSQQZCL-SNVBAGLBSA-N 400.850 3.430 0 40 HGAB COc1cccc(C(=O)OCC(=O)Nc2ccc(I)cc2)c1 6583468 CWKVNLQPTQAZQX-UHFFFAOYSA-N 411.195 3.095 0 40 HGAB COCCN1C(=O)c2[nH]nc(-c3cc(C)ccc3O)c2[C@H]1c1ccc(OC)c(OC)c1 6753215 WYEBHHKPMMKLLT-JOCHJYFZSA-N 423.469 3.300 0 40 HGAB O=C1N[C@](Cc2ccccc2)(c2ccccc2)C(=O)N1C[C@@H](O)COc1ccccc1 7203807 CNAOPQQNMXITBN-PXDATVDWSA-N 416.477 3.116 0 40 HGAB O=C(C[C@@H]1C=CCC1)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 8050748 CBUSXVJLVONEKQ-CYBMUJFWSA-N 403.331 3.183 0 40 HGAB Cc1ccc(CN(C)C(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)c(C)c1 8097413 GUIKPPPTKXHHGB-UHFFFAOYSA-N 406.573 3.424 0 40 HGAB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Cl)c1OCC(N)=O 8369005 FDUHSXRGJUHXLT-VIZOYTHASA-N 413.861 3.375 0 40 HGAB O=C(NC1CC1)c1cccc(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3Cl)C2)c1 8777403 HNAHNNFNDUNJRU-INIZCTEOSA-N 411.889 3.219 0 40 HGAB COC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)c2cccc(Cl)c2)c(F)c1 8810316 JOMFTCKUXYDMSO-LLVKDONJSA-N 400.859 3.045 0 40 HGAB COc1ccc(-c2nn(CC(=O)N(C(C)C)C(C)C)c(=O)c3nc(C)sc23)cc1 8955433 WHNYKEXRUUATCG-UHFFFAOYSA-N 414.531 3.482 0 40 HGAB CCOc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3nnc(CC)s3)C2=O)cc1 9233426 OWRWIJUWTYOJIH-UKTHLTGXSA-N 418.500 3.174 0 40 HGAB COC(=O)c1ccc2c(=O)[nH]c(CSc3nnc(-c4cccs4)o3)nc2c1 9364962 IDNUAWSFCVZPCT-UHFFFAOYSA-N 400.441 3.114 0 40 HGAB CCc1nnc(NC(=O)CSc2ccc(-c3ccc(-n4ccnc4)cc3)nn2)s1 9712906 BDXJPRQTGHTDFL-UHFFFAOYSA-N 423.527 3.474 0 40 HGAB Cc1c(C)n2c3c(=O)n(CCCc4ccccc4)c(=O)n(C)c3nc2n1CC(C)C 10104028 PVTUOQMYLLJCPX-UHFFFAOYSA-N 407.518 3.055 0 40 HGAB CC(C)(C)n1ncc2c(=O)n(NC(=O)C(c3ccccc3)c3ccccc3)cnc21 10250922 QGGXFFWLCKVIQJ-UHFFFAOYSA-N 401.470 3.250 0 40 HGAB CN(C)CCNC(=O)c1ccccc1NC(=O)COc1ccc(Cl)cc1Cl 10312741 VNVPSZYDZBWXDO-UHFFFAOYSA-N 410.301 3.302 0 40 HGAB CCOc1ccc2nc(NS(=O)(=O)c3cc(NC(C)=O)ccc3OC)sc2c1 11615690 WKXBJSQMJAMFQW-UHFFFAOYSA-N 421.500 3.463 0 40 HGAB Cc1cccc(N2CCN(C(=O)c3cc(=O)c(OCc4ccccc4)co3)CC2)c1 11856609 ZOIFVDIRCIWXOW-UHFFFAOYSA-N 404.466 3.490 0 40 HGAB COc1ccc(OC)c(CN(Cc2cnc(N3CCOCC3)nc2)Cc2ccco2)c1 12186702 XXELJOHFDNJEQR-UHFFFAOYSA-N 424.501 3.126 0 40 HGAB O=C(Cc1cc(F)ccc1F)N1CCC[C@H](c2nc(O)cc(-c3ccncc3)n2)C1 12257033 JDOHKSSXSNBQNC-HNNXBMFYSA-N 410.424 3.471 0 40 HGAB C[C@H](NC(=O)CN1c2ccc(S(N)(=O)=O)cc2C[C@@H]1C)c1cccc2ccccc12 12515219 FVAZMAHGFHRCBI-HOTGVXAUSA-N 423.538 3.116 0 40 HGAB COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc3c(C)cc(=O)oc3c2)c1 12536299 GZWKRXPANPPRMJ-UHFFFAOYSA-N 407.831 3.342 0 40 HGAB CCOC(=O)Cc1csc(SCC(=O)NCCN(CC)c2cccc(C)c2)n1 12545767 SADAAAAWGVCNOG-UHFFFAOYSA-N 421.588 3.292 0 40 HGAB Cc1c(C)c(C)c(S(=O)(=O)Nc2ccc(S(=O)(=O)NC3CC3)cc2)c(C)c1C 12560813 GTGRWZBYRJDNHH-UHFFFAOYSA-N 422.572 3.470 0 40 HGAB CCc1ccc(OCC(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)cc1 12747419 SLYGAPONXMEXLA-UHFFFAOYSA-N 410.470 3.234 0 40 HGAB CCc1cc2c(=O)n(CCc3ccc(OC)c(OC)c3)c(SCCO)nc2s1 12809623 YRVGFXMXNKNVCW-UHFFFAOYSA-N 420.556 3.365 0 40 HGAB CNS(=O)(=O)c1cc(C(=O)NCCOc2ccc3ccccc3c2)ccc1Cl 12872987 ZWOIWDQNJFQGSD-UHFFFAOYSA-N 418.902 3.210 0 40 HGAB COc1cc(CCNC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)ccc1OC(F)F 12939169 HSMMSZXHWUUSIN-MRXNPFEDSA-N 418.440 3.317 0 40 HGAB COC(=O)c1c(C)nc(C2CC2)nc1SCC(=O)Nc1cc(OC)ccc1OC 12987114 QMZMTONYFSWXRC-UHFFFAOYSA-N 417.487 3.197 0 40 HGAB CC(C)(C)NC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1 13676945 CBCWAADSGOAPTC-CYBMUJFWSA-N 407.363 3.450 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc4[nH]ccc4c3)CC2)cc1 13688737 SAMVGOLUZXUPIJ-UHFFFAOYSA-N 413.499 3.216 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)COc3ccccc3C(C)C)CC2)cc1 15925073 LDLIUGJWOVHIBQ-UHFFFAOYSA-N 416.543 3.030 0 40 HGAB Cc1nnnn1-c1ccc(CC(=O)N[C@@H](c2ccc3c(c2)OCCCO3)C(C)C)cc1 19288433 KITDMDRQXUXSCQ-HSZRJFAPSA-N 421.501 3.188 0 40 HGAB Clc1cc2c(cc1CN1CCC[C@H](Cn3nnc(-c4ccccn4)n3)C1)OCO2 19403539 IYGJTHJUKZQWHL-AWEZNQCLSA-N 412.881 3.029 0 40 HGAB Cc1nc([C@@H]2CCCN2C(=O)c2ccc3c(c2)OCO3)[nH]c(=O)c1Cc1ccccc1 19579383 BUCIKEXVRFMIPH-IBGZPJMESA-N 417.465 3.375 0 40 HGAB CC(=O)N(C)Cc1cc(N(C)C)nc([C@H]2CCCCN2C(=O)Cc2ccc(C)cc2)n1 19709915 ZKSFFKUUDBZZOQ-OAQYLSRUSA-N 423.561 3.126 0 40 HGAB COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)C[C@@H]1C(=O)Nc1cccc(F)c1 19819150 RJAWTDDMPQSPPT-KRWDZBQOSA-N 400.381 3.403 0 40 HGAB COc1ccc(OCCN2CCN(C(=O)c3c(-c4ccccc4)noc3C)CC2)cc1 20907731 NKWQKFZLCIANOC-UHFFFAOYSA-N 421.497 3.495 0 40 HGAB CC(=O)c1c(C)[nH]c(C(=O)N(C)Cc2ccc(C(=O)NCC(F)(F)F)cc2)c1C 31246154 LBRCQSPSZVOMTO-UHFFFAOYSA-N 409.408 3.398 0 40 HGAB Cc1nc2ccccc2nc1N1CCN([C@@H](C(=O)O)c2c[nH]c3ccccc23)CC1 32069761 CCUNUUCHUPOPLC-OAQYLSRUSA-N 401.470 3.367 0 40 HGAB COc1ccc2[nH]c3c(c2c1)CCN[C@H]3c1ccc(OC)c(CN2CCOCC2)c1 32109686 ZXRHRWZKTXHWBS-QHCPKHFHSA-N 407.514 3.252 0 40 HGAB biogenic COc1ccccc1[C@H](NC(=O)N[C@H](C)c1ccc2c(c1)OCO2)c1nccn1C 32802546 HKWAXMIYQIZRFV-VLIAUNLRSA-N 408.458 3.307 0 40 HGAB COc1ccc([C@H]2CC(=O)Nc3c(-c4ccc(C)cc4)nsc32)cc1OCC(N)=O 35316407 YPDREMWEWWNTFQ-OAHLLOKOSA-N 423.494 3.465 0 40 HGAB CN(C)S(=O)(=O)c1ccc(COc2ccc(C(=O)NCc3cccs3)cc2)o1 36366059 MIXSMZZZGLTAOO-UHFFFAOYSA-N 420.512 3.100 0 40 HGAB CC[C@H](C)[C@@H](NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc(Cl)cc1F)C(=O)OC 36579809 SQOPRNAXDWZKHQ-LSKLOWJMSA-N 422.888 3.447 0 40 HGAB CCn1ccc(-c2cc(C(=O)Nc3ccc4c(c3)OCCO4)c3c(C)noc3n2)n1 36617966 KNFBALFAQZJJHZ-UHFFFAOYSA-N 405.414 3.438 0 40 HGAB CS(=O)(=O)N1CC[C@H](C(=O)NCCC2=CCCCC2)Oc2ccc(Cl)cc21 38852471 PYUUXGPMWAIKAR-GOSISDBHSA-N 412.939 3.264 0 40 HGAB O=C(CCCc1nc2ccccc2s1)NCc1ccc(C(=O)N2CCOCC2)cc1 40040758 XMMLDKDYUOTRCU-UHFFFAOYSA-N 423.538 3.408 0 40 HGAB CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)CCOCC(F)(F)F)c1 40070005 YBOQIPFGSQIGJI-UHFFFAOYSA-N 416.421 3.419 0 40 HGAB O=C(NC1CCN(c2ccc(C(F)(F)F)cn2)CC1)[C@@H]1CC(c2ccccc2)=NO1 40134420 DSPXIGJMKWSBQZ-SFHVURJKSA-N 418.419 3.379 0 40 HGAB Cc1sc2nc(CS[C@@H](C)C(=O)NCCCCn3ccnc3)[nH]c(=O)c2c1C 40157608 STQKQTLUKOVXED-AWEZNQCLSA-N 419.576 3.016 0 40 HGAB CC(C)NC(=O)N1CCC[C@H](C(=O)Oc2ccc(I)cc2)C1 42227676 OEGJBPDCLUNCMX-LBPRGKRZSA-N 416.259 3.027 0 40 HGAB COc1ccc(Cl)cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@H](C(C)=O)N1C=Cc3ccccc3[C@@H]21 43727065 ULBVRRNILONBHC-MHTWAQMVSA-N 422.868 3.453 0 40 HGAB CC[C@H](C)n1c(=O)c2ccccc2n(CC(=O)N[C@@H](C)CCc2ccccc2)c1=O 44840384 QPYCTXHMPBZKRZ-ROUUACIJSA-N 407.514 3.272 0 40 HGAB C[C@H]1CN(c2ccc(NC(=O)CCn3c(=O)oc4ccccc43)cc2F)C[C@@H](C)O1 46069536 ATNPPPXNXJMKFP-GASCZTMLSA-N 413.449 3.376 0 40 HGAB Cc1ccccc1-n1ncc(C(=O)NCCNC(=O)OC(C)(C)C)c1C(F)(F)F 60158666 SYJIDOILKUOLQU-UHFFFAOYSA-N 412.412 3.454 0 40 HGAB Cc1ccc(-n2c(O)nc3nc(NCc4cc(F)cc(F)c4)ncc3c2=O)c(C)c1 67263934 PAJXXYACKVDWDD-UHFFFAOYSA-N 409.396 3.388 0 40 HGAB COc1ccc(-c2nc3cnccn3c2NCc2ccco2)cc1CN1CCOCC1 72341969 COILDGPJXQVTMD-UHFFFAOYSA-N 419.485 3.442 0 40 HGAB CCn1cnnc1C1CCN(CC(=O)N[C@@H](C)c2ccc(Br)cc2)CC1 83843651 VTALGHHRBMRFAH-AWEZNQCLSA-N 420.355 3.117 0 40 HGAB O=C(C[C@@H]1CC2(CCN(C(=O)c3ccnnc3)CC2)c2ccccc21)NCC1CC1 96052687 SQJXDPAWFZENDI-LJQANCHMSA-N 404.514 3.054 0 40 HGAB CC(C)Cn1c(CCNC(=O)[C@H](C)N2Cc3ccccc3C2=O)nc2ccccc21 96231959 CENIIUZEXIBPOD-KRWDZBQOSA-N 404.514 3.396 0 40 HGAB O=C(NCc1ccncc1)[C@H]1C[C@@]2(CO1)c1ccccc1CN2C(=O)c1ccccc1 96262475 CKFDUXHTIMYTJO-RCZVLFRGSA-N 413.477 3.038 0 40 HGAB Cc1cc(NC(=O)CN(C)[C@H](C)C(=O)NC(c2ccccc2)c2ccccc2)no1 96992980 VUCTZZAIHXMMKQ-QGZVFWFLSA-N 406.486 3.148 0 40 HGAB Cc1ccc(CNC(=O)[C@H](C)NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 107855941 IUFZPVMTEGZTIK-LBPRGKRZSA-N 401.315 3.285 0 40 HGAB COc1ccc(S(=O)(=O)NC(C)(C)Cc2ccccc2)cc1N1CCCC1=O 223042546 BPKYOSWQMOHHCT-UHFFFAOYSA-N 402.516 3.122 0 40 HGAB CC(C)(Cc1ccccc1)NC(=O)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 223092535 IYAVHQYIVSPACP-KRWDZBQOSA-N 406.573 3.286 0 40 HGAB CC[C@H](C(=O)NCCOc1cccc(C)c1C)N(c1ccc(C)cc1)S(C)(=O)=O 223938733 OBBFWYJLIIUZCW-HXUWFJFHSA-N 418.559 3.352 0 40 HGAB Cc1cccc(N(CCCC(=O)NCCOc2ccccc2)S(C)(=O)=O)c1C 224742691 ROYPEXAMKVHVIJ-UHFFFAOYSA-N 404.532 3.045 0 40 HGAB COC(=O)CSc1nnc(NC(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)s1 225485759 JUYKPWMRTCROJH-LLVKDONJSA-N 407.517 3.088 0 40 HGAB C[C@H]1CCCCN1c1cc(C(F)(F)F)nc(NC(=S)NC[C@@H]2CCCO2)n1 225910081 ZDBXZLDPJMEAQF-RYUDHWBXSA-N 403.474 3.340 0 40 HGAB CCC[C@]1(C(=O)OCC)N[C@H](c2cccs2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 231643506 VBMTZEQWPXOMBR-IDVKNYFZSA-N 412.511 3.300 0 40 HGAB COc1ccc(S(=O)(=O)NC[C@@](O)(c2ccoc2)c2cccs2)cc1Cl 253473856 ZEPLHIBLJHKEAZ-QGZVFWFLSA-N 413.904 3.218 0 40 HGAB CC(=O)N1CCN(Cc2ccnc(N3CCCC3)n2)[C@@H](c2ccc(OC(C)C)cc2)C1 257271784 MZTKRNKWFQMRDU-HSZRJFAPSA-N 423.561 3.269 0 40 HGAB NC(=O)C[C@]1(COc2ccc(F)cc2)CCCN(C(=O)c2ccc(F)cc2F)C1 257319566 VTBJZIHWTGFNJB-OAQYLSRUSA-N 406.404 3.281 0 40 HGAB CC(=O)c1cccc(N(CCCC(=O)NC[C@H](C)c2ccccc2)S(C)(=O)=O)c1 260842762 ZMXOXJJZRBLUGL-KRWDZBQOSA-N 416.543 3.355 0 40 HGAB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NC(C)(C)C)c1ccc(F)cc1 408589228 ZGLDYQOBDACJCT-UHFFFAOYSA-N 408.495 3.253 0 40 HGAB CCS(=O)(=O)NC1CCN(C(=O)NCc2ccccc2Oc2ccccc2)CC1 519875181 BQKAWJYLPBXQAA-UHFFFAOYSA-N 417.531 3.092 0 40 HGAB CC(C)c1ccc(S(=O)(=O)N(Cc2ccccc2)[C@H]2CCS(=O)(=O)C2)cc1 575425077 XCFMYNWHQGRFLE-IBGZPJMESA-N 407.557 3.188 0 40 HGAB O=C1CN(C(=O)C2(c3ccc(F)cc3)CC2)CCN1c1ccnc(C(F)(F)F)c1 1776008755 MAOFSRVQZHRHKF-UHFFFAOYSA-N 407.367 3.147 0 40 HGAB Cc1cccc(CN(CC(=O)N2CCCC2)S(=O)(=O)c2ccc(Cl)cc2)c1 780441 DCWUUZJLYUPBMW-UHFFFAOYSA-N 406.935 3.462 0 40 HGAB Cc1ccc(S(=O)(=O)N(CC(=O)NC[C@@H]2CCCO2)c2ccc(C)c(C)c2)cc1 887142 YFYQDONICWZUDL-FQEVSTJZSA-N 416.543 3.102 0 40 HGAB COc1cc2nc(C3CCC3)n(NC(=O)c3ccc(F)cc3F)c(=O)c2cc1OC 1365201 TVBJXBZFSCFNRN-UHFFFAOYSA-N 415.396 3.343 0 40 HGAB CC(=O)Nc1ccc(N2C(=O)c3cccc4c(N5CCOCC5)ccc(c34)C2=O)cc1 3015565 XIKBUMNVWWLKDS-UHFFFAOYSA-N 415.449 3.435 0 40 HGAB COCCOC(=O)C1=C(C)N(Cc2ccccc2)C(=O)N[C@H]1c1ccc(OC)cc1 3102029 JTQBBFZRSJTDHR-NRFANRHFSA-N 410.470 3.425 0 40 HGAB C[C@H]1Cc2ccccc2N1C(=O)COC(=O)c1ccc(I)cc1 3313047 FJSZJRWNVOKAFM-LBPRGKRZSA-N 421.234 3.426 0 40 HGAB O=C(COC(=O)/C=C/c1cccc(Br)c1)Nc1ccc2c(c1)OCO2 3429744 HZJYSKLFDSUKCE-QPJJXVBHSA-N 404.216 3.373 0 40 HGAB Cn1c(SCC(=O)Nc2cccc(Br)c2)nc2ccccc2c1=O 3507209 PWWSRZULXFBZAT-UHFFFAOYSA-N 404.289 3.427 0 40 HGAB COc1cc2ccccc2cc1C(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 3517543 MKKPIGPMLQZHMH-UHFFFAOYSA-N 424.522 3.304 0 40 HGAB O=C(COC(=O)c1ccccc1NC(=O)c1ccccc1)NCCc1ccccc1 3544341 POXVITWEUHCUAX-UHFFFAOYSA-N 402.450 3.455 0 40 HGAB CC(=O)Nc1sc2c(c1C(=O)OCC(=O)Nc1ccc3c(c1)OCO3)CCCC2 3580433 QXSVVDBNTDYKJW-UHFFFAOYSA-N 416.455 3.110 0 40 HGAB O=C(COc1coc(CN2CCCc3ccccc32)cc1=O)NCc1ccccc1 4304437 BIGBSZTUYNNORN-UHFFFAOYSA-N 404.466 3.288 0 40 HGAB O=C(CSc1ccc2nnc(CCNC(=O)c3ccccc3)n2n1)c1ccccc1 4358475 WVMWDOLUYGFSPH-UHFFFAOYSA-N 417.494 3.072 0 40 HGAB C[C@H](NC(=O)CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O)c1cccc(Cl)c1 4469041 VDKDKLBTAUMXNX-FPTDNZKUSA-N 411.889 3.301 0 40 HGAB COc1ccccc1N1C[C@H](C(=O)OCC(=O)Nc2cc(Cl)ccc2C)CC1=O 4512478 HQQAQQJWIDTLIP-CQSZACIVSA-N 416.861 3.192 0 40 HGAB C[C@H](CCc1ccccc1)NC(=O)COC(=O)C[C@H]1Sc2ccccc2NC1=O 4546864 DEDIPKKLJKANPM-DNVCBOLYSA-N 412.511 3.170 0 40 HGAB CCOC(=O)c1cc(NC(=O)COc2ccccc2Cl)ccc1N1CCOCC1 4711562 WFHDYLKITQOBSF-UHFFFAOYSA-N 418.877 3.371 0 40 HGAB CC1(C)O[C@@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@]2(C(=O)CO)O1 4743620 GYZQGDLMCLYUQG-IRFOJQCQSA-N 404.547 3.372 0 40 HGAB CNC(=S)Nc1ccc(N2CCCC2)c(S(=O)(=O)Nc2ccc(OC)cc2)c1 4865377 FQHZFAUENMMWQY-UHFFFAOYSA-N 420.560 3.012 0 40 HGAB O=C(CN(C(=O)c1ccc(Cl)nc1)c1ccc2c(c1)OCCO2)NC1CCCC1 4986454 LFDMMSZRVCDIBC-UHFFFAOYSA-N 415.877 3.212 0 40 HGAB COc1ccc(N2C(=O)CS[C@]23C(=O)Nc2ccc(Br)cc23)cc1 5117077 WIBGXSUNAURFIF-QGZVFWFLSA-N 405.273 3.343 0 40 HGAB COc1ccc([C@@H]2c3c(n[nH]c3-c3cc(C)cc(C)c3O)C(=O)N2CCCO)cc1 5342682 YZTJQMRLDPMEFB-OAQYLSRUSA-N 407.470 3.335 0 40 HGAB CCn1nnc2cc(C(=O)OCC(=O)Nc3c(C)nn(-c4ccccc4)c3C)ccc21 5805239 VGVNMHVTINLPIP-UHFFFAOYSA-N 418.457 3.049 0 40 HGAB COc1ccc(COC(=O)[C@@H]2CS[C@]3(c4ccccc4)CCC(=O)N23)cc1F 6450409 UTVADMXXLGRNCX-UWJYYQICSA-N 401.459 3.468 0 40 HGAB CN(CCCC(=O)Nc1ccccc1N1CCCC1)S(=O)(=O)c1ccc(F)cc1 6822772 HRVZFGKOVFHMRA-UHFFFAOYSA-N 419.522 3.465 0 40 HGAB Nn1c(SCC(=O)NCCC(c2ccccc2)c2ccccc2)nnc1C1CC1 8010736 GXQWPQXOPVALBU-UHFFFAOYSA-N 407.543 3.300 0 40 HGAB COc1cc(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)cc([N+](=O)[O-])c1O 8109716 UNTFQJUDJVAYCY-LZYBPNLTSA-N 411.395 3.417 0 40 HGAB CCCCSc1nc2c(c(=O)[nH]1)[C@@H](c1cccnc1)C(C(=O)OCC)=C(C)N2 8346036 BUKYRDQQXOOKDD-HNNXBMFYSA-N 400.504 3.452 0 40 HGAB CCOC(=O)c1nn(-c2ccccc2C)c(=O)cc1NC(=O)c1ccc(OCC)cc1 8770378 UCIZHQYQLYIWGJ-UHFFFAOYSA-N 421.453 3.369 0 40 HGAB COc1cc([C@H]2CC(=O)Nc3nc(C)[nH]c(=O)c32)ccc1OCc1ccccc1C 9043523 OFPYRGDDWSJYRC-QGZVFWFLSA-N 405.454 3.448 0 40 HGAB COc1ccccc1[C@@H](C)NC(=O)c1ccc2c(=O)n(-c3ccccc3)c(=O)[nH]c2c1 9337392 NNNNGHDKWDREKO-OAHLLOKOSA-N 415.449 3.179 0 40 HGAB COC(=O)c1ccc(C)c(NC(=O)CNc2ccccc2C(=O)NCc2ccco2)c1 9338679 KWLDJBGCDTVJPC-UHFFFAOYSA-N 421.453 3.355 0 40 HGAB COCCCn1c(C(=O)NCc2ccccc2Cl)cc2c(=O)n3ccccc3nc21 9510716 RXWREWBSCOVMSM-UHFFFAOYSA-N 424.888 3.269 0 40 HGAB COCCNC(=O)CSc1nc2sc(C)c(C)c2c(=O)n1-c1ccc(F)cc1 10138352 UOLPLYUWLUNDLU-UHFFFAOYSA-N 421.519 3.058 0 40 HGAB O=C(NCCn1ncc2c(N3CCCCC3)ncnc21)C12CC3CC(CC(C3)C1)C2 11665929 MBKKQYHESBOINC-UHFFFAOYSA-N 408.550 3.149 0 40 HGAB CCn1cc(S(=O)(=O)N(CCc2ccccn2)c2ccc(OC)cc2)c(C)n1 12362497 RBWYSQSLXOUPIR-UHFFFAOYSA-N 400.504 3.053 0 40 HGAB C[C@@H](NCC(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1cccc(F)c1 13038722 BEVSCLIXBHGXTD-MRXNPFEDSA-N 419.522 3.290 0 40 HGAB C[C@@H]1CCc2c(sc(NC(=O)COC(=O)c3ccc4ccccc4n3)c2C(N)=O)C1 13139146 VFYSDKGXHWLSRU-GFCCVEGCSA-N 423.494 3.316 0 40 HGAB CCOc1cc2c(cc1NS(=O)(=O)c1ccc(CCC(=O)O)cc1)O[C@H](C)C2 13256355 HSYXGNBJUDMOQN-CYBMUJFWSA-N 405.472 3.227 0 40 HGAB O=C(O)c1cc(S(=O)(=O)Nc2ccc(F)c(F)c2F)ccc1Br 13345777 HCQBEHRIXYJZDP-UHFFFAOYSA-N 410.167 3.365 0 40 HGAB COc1cccc(C(=O)c2cnc3sc(C(=O)N4C[C@H](C)O[C@H](C)C4)c(C)n23)c1 13607106 NHAZSGLKYOZBGV-BETUJISGSA-N 413.499 3.193 0 40 HGAB COc1cccc2cc(C(=O)N3CCC(C(=O)Nc4ccccc4)CC3)c(=O)oc12 15182240 HASRIDHDVCBXKM-UHFFFAOYSA-N 406.438 3.293 0 40 HGAB COc1ccc(-c2nc(N3CCOCC3)nc3c2C(=O)c2ccccc2-3)cc1OC 17082644 WVNPAZBVTFWZQA-UHFFFAOYSA-N 403.438 3.209 0 40 HGAB COc1ccccc1N1C[C@H](NC(=O)c2ccc(C)c(-n3nc(C)cc3C)c2)CC1=O 19214730 FDVMVWBUIKIFAX-LJQANCHMSA-N 418.497 3.341 0 40 HGAB CO[C@H]1CCC[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)c2cc(=O)[nH]c(C)n2)C1 19240966 WMHKQPFECQSXQT-SYNHAJSKSA-N 408.502 3.165 0 40 HGAB CC1(C)C[C@H](C2N3CC4(c5ccccc5)CN2CC(c2ccccc2)(C3)C4O)CCO1 19331526 SKLWFEQPZRPBDH-ICUVJHSQSA-N 418.581 3.399 0 40 HGAB biogenic O=c1ccc(-c2ccc(F)c(F)c2)nn1CC1(O)CCN(Cc2cccs2)CC1 19343398 HQDMGQCGQGJDFU-UHFFFAOYSA-N 417.481 3.277 0 40 HGAB CC(=O)N1CCC[C@H]1c1nc(CN(C)Cc2ccnc3ccccc23)cc(N(C)C)n1 19709845 IPQGKCPYAVNPPG-QFIPXVFZSA-N 418.545 3.406 0 40 HGAB Cc1ccc(CCCNC(=O)[C@H]2CCCN(S(=O)(=O)c3cccs3)C2)cc1 20452050 ALBLNRYETBDSLQ-SFHVURJKSA-N 406.573 3.206 0 40 HGAB O=C(c1nnc(-c2cccc(Br)c2)o1)N1CCN(c2ccccc2)CC1 20726277 NAIAWHZEHUDJTB-UHFFFAOYSA-N 413.275 3.462 0 40 HGAB Cc1onc(-c2ccccc2)c1-c1nnc(COC(=O)CCNC(=O)c2ccco2)o1 21336480 GQNWYYZNSGEGIJ-UHFFFAOYSA-N 422.397 3.156 0 40 HGAB CC(C)[C@@H](NCC(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccc(C2CCCCC2)cc1 21584305 VYPVGPUBAVECHM-IFMALSPDSA-N 406.592 3.324 0 40 HGAB CC[C@H](NC(=O)CN(c1ccccc1OC)S(C)(=O)=O)c1ccc(C)cc1C 22362760 VCZMJMDKIGPWID-SFHVURJKSA-N 404.532 3.346 0 40 HGAB CC[C@H](CN1CCN(C)CC1)NC(=O)Cc1sc(C)nc1-c1ccc(C)cc1 22917281 MOTRSIMJKVFNMK-LJQANCHMSA-N 400.592 3.112 0 40 HGAB C/C=C/c1ccc(OCC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)c(OC)c1 23057213 ACCQIULEABMSPY-PXPSOEEZSA-N 407.532 3.065 0 40 HGAB Cc1ccc(N2C[C@H](C(=O)O[C@H](C)c3nc4ccccc4c(=O)[nH]3)CC2=O)cc1F 26449568 WVSMJBLASFFQSB-ZIAGYGMSSA-N 409.417 3.028 0 40 HGAB CN(C)S(=O)(=O)c1ccc(OCC(=O)Nc2ccc(Cl)cc2)c(Cl)c1 28207925 NBNQBYSEIPEXHW-UHFFFAOYSA-N 403.287 3.261 0 40 HGAB O=C(NC[C@@H](c1cccs1)N1CCOCC1)c1cc(=O)c2cc(Cl)ccc2o1 28289064 QFSWYGDJHNTKAP-HNNXBMFYSA-N 418.902 3.311 0 40 HGAB O=C(Cn1c(SC(F)F)nc2ccccc21)NCCc1ccc2c(c1)OCCO2 31352382 UTNNKNJYGAQMCC-UHFFFAOYSA-N 419.453 3.481 0 40 HGAB COc1cc2ncn(CCC(=O)Nc3cccc(C(F)(F)F)c3)c(=O)c2cc1OC 32104775 KGIFIGVQMPQEHA-UHFFFAOYSA-N 421.375 3.461 0 40 HGAB O=C1CCCN1c1cccc(CNS(=O)(=O)c2ccc(Br)cc2)c1 32444012 TWULXTYWBIVSDN-UHFFFAOYSA-N 409.305 3.054 0 40 HGAB CC(C)c1ccccc1OCC(=O)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C 32859797 DHVLFWZITIAWNI-QGZVFWFLSA-N 423.513 3.411 0 40 HGAB C[C@H]1CCN(C(=O)C2=CC(c3ccc(F)cc3)=NS(=O)(=O)N2C)[C@H]2CCCC[C@H]12 35312630 KVPSFZYRUKXTRM-YJLNNSPDSA-N 419.522 3.116 0 40 HGAB COc1cc([C@H]2[C@H](C(=O)Nc3ccc(Cl)cc3)[C@H](C)Nc3ncnn32)ccc1O 36701649 AXBUNIMTJDZABI-PDSMFRHLSA-N 413.865 3.304 0 40 HGAB CCN(CC)C(=O)N1CCN([C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)CC1 40088190 AAGSWBARMPETTG-ZDUSSCGKSA-N 401.338 3.400 0 40 HGAB COc1ccc(/C=C/C(=O)N2C(=O)[C@@H]3CCCCN3C(=O)c3ccccc32)cc1OC 40386388 MMZUNUZNTXFWPR-BPOBUFBUSA-N 420.465 3.285 0 40 HGAB Cc1ccc(NC(=O)C(=O)NCC2CCN(C(=O)Oc3ccccc3)CC2)cc1C 43941908 XJVCRYFQOJHTFQ-UHFFFAOYSA-N 409.486 3.269 0 40 HGAB CC(C)c1ccc(CN2CCN(C(=O)c3ccccc3NS(C)(=O)=O)CC2)cc1 45904906 QORVBHISMXMRRE-UHFFFAOYSA-N 415.559 3.140 0 40 HGAB CC(C)CNC(=O)[C@@H]1CCCN(C(=O)c2cnc(OCC(F)(F)F)c(Cl)c2)C1 48342705 DBXIYGQEUDFXEG-GFCCVEGCSA-N 421.847 3.301 0 40 HGAB CCOc1ccc(NC(=O)Cn2nc3c(Oc4ccc(C)cc4)nccn3c2=O)cc1 49008299 ZKDDRSJXTUPQJA-UHFFFAOYSA-N 419.441 3.029 0 40 HGAB O=C1C[C@H](c2ccc(Cl)cc2)[C@H](n2cncn2)C(=O)[C@H]1[C@@H]1NCCc2ccccc21 49581144 NBBYHVVEXVSNGZ-NMIHRBCNSA-N 420.900 3.302 0 40 HGAB COc1cccc(C(=O)Cn2c(=O)n(Cc3ccc(C)cc3)c(=O)c3sccc32)c1 57486214 YUXHCBQFJYTKCK-UHFFFAOYSA-N 420.490 3.473 0 40 HGAB CC(C)C[C@H](c1nnnn1C[C@H]1CCCO1)N1CCN(c2cccc(Cl)c2)CC1 57670497 SFCFQBZJMFLIJW-WOJBJXKFSA-N 418.973 3.415 0 40 HGAB O=C(c1cccs1)N1CC(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 62022610 UDRRCLQJPIINPY-UHFFFAOYSA-N 423.460 3.188 0 40 HGAB CN(c1ccsc1C(=O)NC[C@@H]1CCCO1)S(=O)(=O)c1ccc(Cl)cc1 67245562 VNGXFRWQPQKOTI-ZDUSSCGKSA-N 414.936 3.135 0 40 HGAB CCOc1ccc(S(=O)(=O)NC[C@@H](O)c2ccc(C(F)(F)F)cc2)cc1F 70640151 KCEWYOXYSZKJBG-OAHLLOKOSA-N 407.385 3.255 0 40 HGAB CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)Nc3c(-c4ccccc4)cnn32)cc1 71285506 HREMGDIYIXNOLT-SFHVURJKSA-N 404.426 3.249 0 40 HGAB Cc1nn(C)cc1-c1cc(C(=O)N2CCC([C@H]3CC(=O)c4ccccc4O3)CC2)n[nH]1 72336678 RXBPOUBFHSHIJG-JOCHJYFZSA-N 419.485 3.005 0 40 HGAB Cc1cc(Nc2cc([C@H]3CCCN3S(=O)(=O)c3ccc(F)cc3)nc(C)n2)[nH]n1 72360840 XNINXVBESRWQSO-QGZVFWFLSA-N 416.482 3.225 0 40 HGAB COc1ccc(C2=NN(C(C)=O)[C@H](c3cc(OC)c(OC)c(OC)c3)C2)c(OC)c1 89930400 OVFDFMWEIKNRKK-SFHVURJKSA-N 414.458 3.427 0 40 HGAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1c[nH]c(=O)n(Cc2ccco2)c1=O 90423968 SQYGSVQSLTVEOL-UHFFFAOYSA-N 413.739 3.102 0 40 HGAB COc1ccc(Cc2nc3nccc(-c4cc(OC)c(OC)c(OC)c4)n3n2)cc1 95476130 QNPRAEFZNCMQFO-UHFFFAOYSA-N 406.442 3.417 0 40 HGAB C[C@H]1Cc2ccccc2N1C(=O)CN1CCN(c2ccc(C(F)(F)F)cn2)CC1 95950327 UWUZQSKHMUQKAX-HNNXBMFYSA-N 404.436 3.200 0 40 HGAB CN(C)CCNC(=O)C[C@@H]1CC2(CCN(C(=O)c3ccoc3)CC2)c2ccccc21 96052883 LAWFNRMFYPRDNT-LJQANCHMSA-N 409.530 3.009 0 40 HGAB CCC(=O)Nc1ccc(S(=O)(=O)NCC2(OC)C3CC4CC(C3)CC2C4)c(C)c1 96123898 GUBJURFQJKGASC-UHFFFAOYSA-N 420.575 3.463 0 40 HGAB c1cncc(-c2nc(NCCc3nnc4n3CCC4)c3c4c(sc3n2)CCC4)c1 97205205 ALTXCEGPBUUWBI-UHFFFAOYSA-N 403.515 3.434 0 40 HGAB CCOc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)N2CCCN2[C@H]3c2ccc(Cl)cc2)cc1 100753211 FKESPDMCVYWJEE-UFYCRDLUSA-N 411.889 3.274 0 40 HGAB CC(=O)c1ccccc1OC(=O)c1cccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 101221301 VQYPFBZYDISNBK-LATRNWQMSA-N 401.418 3.420 0 40 HGAB O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccc(O)cc3)[C@H]2C(=O)N1Cc1ccccc1 102708535 POBYBTAFLPYBDN-YPAWHYETSA-N 400.434 3.439 0 40 HGAB COc1ccc(CN(C)C(=O)C23C[C@H]4C[C@@H](CC(NC(C)=O)(C4)C2)C3)cc1OC 102812556 KHMVFCBDGOKWGW-YUOVDFJASA-N 400.519 3.137 0 40 HGAB COc1ccc(Br)cc1/C=C1/SC(=O)N(CC(=O)OC(C)C)C1=O 205731916 GZNNRFJGRYBXBT-NTUHNPAUSA-N 414.277 3.446 0 40 HGAB COc1ccc(Br)c(C(=O)N2CC[C@H](Oc3cc(C)oc(=O)c3)C2)c1 218892219 JWAUPXVDBVUDHF-ZDUSSCGKSA-N 408.248 3.013 0 40 HGAB O=C(NCCCO)[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccccc1 223351662 IXSGVRMMGMBEGR-VWLOTQADSA-N 416.521 3.498 0 40 HGAB COc1ccc(Cl)cc1N([C@@H](C)C(=O)NCC1CCCCC1)S(C)(=O)=O 224013483 IUIPHRYACWTLSJ-ZDUSSCGKSA-N 402.944 3.200 0 40 HGAB CCN(Cc1ccccc1)S(=O)(=O)c1nnc(NC(=O)c2ccc(C)cc2)s1 224381254 HPEKTTDCRZXYDP-UHFFFAOYSA-N 416.528 3.310 0 40 HGAB COc1ccc(S(=O)(=O)Nc2ccc(N3CCCC3)cc2)cc1N1CCCC1=O 224921541 SXNLDYWNOJONDP-UHFFFAOYSA-N 415.515 3.223 0 40 HGAB COc1ccc(NC(=O)[C@@H](C)Oc2ccc(N(C)S(C)(=O)=O)cc2)cc1Cl 225333858 BKQWAUGZKFTYGN-GFCCVEGCSA-N 412.895 3.150 0 40 HGAB COc1ccc2cc(S(=O)(=O)NCc3ccc(OC)c(OC)c3OC)ccc2c1 225355024 PAQDUFZSQPQRKN-UHFFFAOYSA-N 417.483 3.353 0 40 HGAB COc1cc(C)c(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1C(C)C 225665240 WNFWVPSHGZHFCG-UHFFFAOYSA-N 416.543 3.274 0 40 HGAB Cc1ccc(-c2nnc(NC(=O)CN(C)S(=O)(=O)c3ccc(C)cc3)s2)cc1 225836640 IJFPFCCRJQTJSJ-UHFFFAOYSA-N 416.528 3.081 0 40 HGAB COc1ccc(NC(=O)C2(S(=O)(=O)N(C)c3ccccc3)CCCC2)c(OC)c1 225948597 UKUVRRAKBPSCIR-UHFFFAOYSA-N 418.515 3.421 0 40 HGAB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NCC(C)(C)C)cc1 226077957 JGGVJQPQPFRIKZ-UHFFFAOYSA-N 418.559 3.091 0 40 HGAB CS(=O)(=O)N(CC(=O)N[C@H]1CCCc2ccccc21)Cc1ccccc1Cl 260811076 NECYEUGDJMAJAG-IBGZPJMESA-N 406.935 3.295 0 40 HGAB CN(C)CCNC(=O)c1ccc2c(c1)C1(CCO2)CCN(Cc2ccccc2)CC1 306142430 WZGDRJYHXGLQJA-UHFFFAOYSA-N 407.558 3.294 0 40 HGAB O=C1N/C(=C\c2ccc(O)c(I)c2)C(=O)N1Cc1ccccc1 408962931 LFKOMAXFNGMHGD-ZROIWOOFSA-N 420.206 3.090 0 40 HGAB O=C(O)c1ccc(-n2cccc2/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)cc1 409105783 KNUQBDVGWZSCKT-XDHOZWIPSA-N 405.385 3.408 0 40 HGAB CCOc1cc(/C=C2/N=C(c3ccc4c(c3)OCO4)OC2=O)ccc1OC(=O)CC 409192451 CTSUPENIQAHEJJ-OQLLNIDSSA-N 409.394 3.474 0 40 HGAB O=C(CN1C(=O)S/C(=C/c2ccccc2)C1=O)Nc1ccccc1N1CCOCC1 409216095 HZOVLBVUNVGZJW-XMHGGMMESA-N 423.494 3.198 0 40 HGAB COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(-c3ccccc3)o2)C1=O 409230786 GNVBSKYQMFNQIB-QGOAFFKASA-N 417.421 3.487 0 40 HGAB CCC[C@H](C)NC(=O)CN(c1ccc(OCc2ccccc2)cc1)S(C)(=O)=O 409410856 RGIKKEIQUWUOAL-KRWDZBQOSA-N 404.532 3.336 0 40 HGAB C[C@@H](Oc1ccccc1)C(=O)N1CC[C@@H](c2ccccc2Cl)S(=O)(=O)CC1 575415083 ZNLIMVMJHJCAQY-BEFAXECRSA-N 407.919 3.496 0 40 HGAB C[C@@H]1CCn2ncc(C(=O)N[C@@H]3CCc4nc(-c5ccc(F)cc5F)cn4C3)c2C1 1615613145 QJMRUHHASCTQDC-UKRRQHHQSA-N 411.456 3.352 0 40 HGAB CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3nnnn32)cc1OC 791372 ORWKNBLVFGXMLL-IBGZPJMESA-N 406.446 3.008 0 40 HGAB COc1cc(OC)c([C@@H]2SCCN2S(=O)(=O)c2ccc(F)cc2)cc1OC 796497 RCOZRIBJJQRJQM-SFHVURJKSA-N 413.492 3.288 0 40 HGAB COc1cc([C@@H]2CC(=O)c3cnc(NC[C@@H]4CCCO4)nc3C2)cc(OC)c1OC 2109969 ASKJYRFEUKZQKF-ZFWWWQNUSA-N 413.474 3.006 0 40 HGAB biogenic CC1=C(C(=O)Nc2ccccn2)[C@@H](c2ccc(Br)cc2)NC(=S)N1 2476097 SZQCSFKQOCYCRP-OAHLLOKOSA-N 403.305 3.276 0 40 HGAB O=C(Nc1nnc(-c2ccc(Cl)s2)o1)c1cccc(N2C(=O)CCC2=O)c1 2641613 CZDMTOCIMIHOGU-UHFFFAOYSA-N 402.819 3.357 0 40 HGAB C[C@@H]1C[C@@H](C)CN(C(=O)CSc2nnc(Cc3cccc4ccccc34)n2N)C1 3294265 BBOLWXZOSWUWDA-HZPDHXFCSA-N 409.559 3.333 0 40 HGAB COc1cccc(Nc2nnc(SCC(=O)Nc3sccc3C(N)=O)s2)c1 3439362 DIMXDRGMUBQHAI-UHFFFAOYSA-N 421.529 3.182 0 40 HGAB O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)NC(=O)NCc1ccco1 3505922 VBKOMLFEOPJMMR-UHFFFAOYSA-N 423.454 3.238 0 40 HGAB C[C@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)NCc2ccccc2Cl)C1=O 3600401 UBJTUCXODSYSFV-LJQANCHMSA-N 406.269 3.077 0 40 HGAB CCCCNC(=O)CN1CC[C@@]2(O)CCCC[C@H]2[C@@H]1c1ccc(OC)c(OC)c1 4047351 ZGZBWUSZKAEWNH-TZYHBYERSA-N 404.551 3.288 0 40 HGAB biogenic CCC(=O)Nc1nnc(SCC(=O)Nc2ccc(Br)cc2)s1 4086548 XTJXGGPSDZVMTQ-UHFFFAOYSA-N 401.311 3.380 0 40 HGAB CCOc1ccccc1NC(=O)CSc1nc2c(c(=O)n1CC)S[C@H](C)C2 4107969 ITCBVASWAOLRDW-GFCCVEGCSA-N 405.545 3.429 0 40 HGAB O=C(OCC(=O)N1CCN(c2ccc(F)cc2)CC1)c1ccccc1C(F)(F)F 4839775 FJYNPZPCKDYHKY-UHFFFAOYSA-N 410.367 3.350 0 40 HGAB CN(C)CCCn1c2c(c(SCC(=O)Nc3ccc(Cl)cc3)nc1=O)CCC2 4851788 MRLQMOGTYRVGIW-UHFFFAOYSA-N 420.966 3.068 0 40 HGAB O=C(NCCCc1ccccc1)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 4933005 PPSRBYIWOBROFT-UHFFFAOYSA-N 406.935 3.487 0 40 HGAB CCOC(=O)c1ccc(Nc2nc(-n3nc(C)cc3C)ncc2C(=O)OCC)cc1 5111330 UBZKPOPJPNWXQL-UHFFFAOYSA-N 409.446 3.376 0 40 HGAB CC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2N)cc1 5257312 CAPAPQIYANNNQC-UHFFFAOYSA-N 401.879 3.246 0 40 HGAB O=c1ccc(-c2cccs2)c2n1C[C@H]1C[C@@H]2CN(S(=O)(=O)c2ccccc2)C1 5439288 OUNKFRLFGCSBSO-JKSUJKDBSA-N 412.536 3.385 0 40 HGAB biogenic,in-vitro CCOC(=O)c1ccc(NC(=O)CSCC(=O)Nc2ccc(OC)cc2)cc1 5463785 GIKXUQFLZFPPPG-UHFFFAOYSA-N 402.472 3.182 0 40 HGAB COc1ccccc1NC(=O)C1=C(C)Nc2nc(CCCO)nn2[C@@H]1c1ccccc1 6308075 MQFQZNSUJILWLR-OAQYLSRUSA-N 419.485 3.139 0 40 HGAB COC(=O)c1ccc(NC(=O)CN(c2cccc3ccccc23)S(C)(=O)=O)cc1 6441021 AMCUYMPSNQXUFO-UHFFFAOYSA-N 412.467 3.031 0 40 HGAB CN(C)S(=O)(=O)c1cccc(NC(=O)c2cc(C3CC3)nn2-c2ccccc2)c1 6608150 QLJOHWVUMPSFDK-UHFFFAOYSA-N 410.499 3.252 0 40 HGAB Cc1cc(C)c2c(CC(=O)N(Cc3ccco3)[C@H]3CCS(=O)(=O)C3)coc2c1 6809851 BNQSWPLXVATPCX-KRWDZBQOSA-N 401.484 3.401 0 40 HGAB Cc1ccccc1N(C)S(=O)(=O)c1nnc(NC(=O)c2ccc(F)cc2)s1 6818310 AYFRUINEPVDBPM-UHFFFAOYSA-N 406.464 3.063 0 40 HGAB COc1ccc(-c2n[nH]c(S[C@H](C(=O)N3CCOCC3)c3ccccc3)n2)cc1 7188770 LKSRWWDCXNLYGM-SFHVURJKSA-N 410.499 3.173 0 40 HGAB CCN(CC)CCN(C(=O)c1ccco1)c1nc2ccc(S(C)(=O)=O)cc2s1 7599671 VCEQBZLTRSONEI-UHFFFAOYSA-N 421.544 3.281 0 40 HGAB CC(C)(C)c1ccc(C(=O)NCCC(=O)NCCc2ccc3c(c2)OCCO3)cc1 7988196 OOPJNQUEUIDJDL-UHFFFAOYSA-N 410.514 3.234 0 40 HGAB Cc1ccc(NC(=O)CSCC(=O)N(C)[C@@H](C)c2ccc(-n3cncn3)cc2)cc1 8349693 UMWMTUUICIBQMY-KRWDZBQOSA-N 423.542 3.467 0 40 HGAB CC(C)[C@@H]1N=C2c3ccccc3N=C(SCC(=O)NCc3ccc(F)cc3)N2C1=O 8609167 LMWBGIMFAKFURY-IBGZPJMESA-N 424.501 3.490 0 40 HGAB COc1cccc(CN(C)C(=O)[C@H]2CC(=O)N(c3cccc(SC)c3)C2)c1OC 9337347 VZEBJWGAOXFQDA-INIZCTEOSA-N 414.527 3.437 0 40 HGAB COc1cc2c(=O)n(-c3ccccc3)c(=O)n(CC(=O)c3ccccc3)c2cc1OC 9938746 PSAWKOGBZZCMNC-UHFFFAOYSA-N 416.433 3.053 0 40 HGAB CCOC(=O)c1cccc(NC(=O)CN(c2cc(C)cc(C)c2)S(C)(=O)=O)c1C 10442693 QGNBEDNSQTZRFC-UHFFFAOYSA-N 418.515 3.193 0 40 HGAB CC(C)[C@@H](NC(=O)CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O)c1cccs1 10611459 MNFGYRQNFGEPBM-YLJYHZDGSA-N 424.526 3.206 0 40 HGAB CCn1c(CNS(=O)(=O)c2cc(Br)ccc2OC)nc2ccccc21 11615654 LYXVKNLMXUGCQU-UHFFFAOYSA-N 424.320 3.306 0 40 HGAB O=C(CNc1cc(Cl)ccc1Sc1ccccc1)N[C@@H]1CCS(=O)(=O)C1 11619777 BLFYABRTPCXLFK-CQSZACIVSA-N 410.948 3.206 0 40 HGAB CCOc1ccc(NC(=O)c2ccc3c(c2)C[C@H](C)N3S(C)(=O)=O)cc1OCC 11655655 ZPULJRPHPJVSRK-AWEZNQCLSA-N 418.515 3.447 0 40 HGAB COc1ccc(NC(=O)c2cc(C(C)C)n([C@H]3CCS(=O)(=O)C3)n2)cc1Cl 11997080 BASOEFRBIOQBGA-ZDUSSCGKSA-N 411.911 3.280 0 40 HGAB COc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccc(F)cc4C)ccn3n2)cc1 12414441 OKOLFQXHFKEYIY-UHFFFAOYSA-N 406.417 3.258 0 40 HGAB O=C(NCc1ccc2c(c1)OCCO2)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 12552166 MPCSJWPQFXJJMA-UHFFFAOYSA-N 424.478 3.189 0 40 HGAB COc1ccc(C(=O)N2CCC[C@H](C(=O)NCc3ccccn3)C2)c2ccccc12 12557917 UOOQBOZUZRIEBL-KRWDZBQOSA-N 403.482 3.412 0 40 HGAB CCOc1ccc([C@@H](CNC(=O)c2cc(F)cc(F)c2)N2CCOCC2)cc1OC 12802757 ASYNGNMRFLKREQ-LJQANCHMSA-N 420.456 3.175 0 40 HGAB CCCN(CC(=O)Nc1ccccc1C)C(=O)CCc1nc2ccccc2c(=O)[nH]1 13008389 FJHGOHFEZQFXFW-UHFFFAOYSA-N 406.486 3.041 0 40 HGAB CCOc1ccc(OC[C@@H](O)CSc2nnnn2-c2cc(C)ccc2C)cc1 14238273 CHZDEFVDDSIEEM-MRXNPFEDSA-N 400.504 3.210 0 40 HGAB C[C@@H]1CS(=O)(=O)N(c2ccc(C(=O)Nc3ccc(Br)cc3)cc2)C1=O 15842933 HSOSMPGFKDWZSV-LLVKDONJSA-N 423.288 3.014 0 40 HGAB COc1ccc(C(=O)NCc2ccc(F)cc2)cc1S(=O)(=O)N1CCCCCC1 15961363 PGQZPOOPFCVBLF-UHFFFAOYSA-N 420.506 3.329 0 40 HGAB CSc1cccc(NC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 16598404 IUPHDCMHSMAISK-UHFFFAOYSA-N 420.556 3.001 0 40 HGAB COc1ccccc1[C@@H](C)NC(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 16962849 SRHRXQCTEJCUIE-QGZVFWFLSA-N 416.543 3.290 0 40 HGAB Cc1ccc([C@H](NC(=O)C[C@@H]2C(=O)NCCN2C2CCCC2)c2ccncc2)cc1C 19213521 KLXJHJNOELDXIP-ISKFKSNPSA-N 420.557 3.037 0 40 HGAB COc1ccc([C@H](NC(=O)Cc2ccc(-n3nnnc3C)cc2)c2ccccc2)cc1 19288437 MCQOTXJTHBLJFZ-XMMPIXPASA-N 413.481 3.428 0 40 HGAB C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@@H](CN4CCN(C5CCCCC5)CC4)[C@H]3[C@H](O)[C@@]21C 19369860 FXYPTAKKGKQTFF-BRKXNLHOSA-N 416.606 3.222 0 40 HGAB biogenic COc1cccc([C@@H]2c3ccccc3CCN2CC(=O)Nc2nc(C)cc(O)n2)c1 19716009 GDELFNHCLXXVSX-JOCHJYFZSA-N 404.470 3.085 0 40 HGAB O=C(CC1CCN(C(=O)C2(c3ccccc3)CCCC2)CC1)N1CCN2CCC[C@H]2C1 19748184 LIRXCXQHFVVVIR-QHCPKHFHSA-N 423.601 3.434 0 40 HGAB COC(=O)[C@H](CCSC)NC(=O)N1CCc2nc[nH]c2[C@H]1c1cccc(Cl)c1 20719360 PUKXFBWYIOKBGX-DOTOQJQBSA-N 422.938 3.015 0 40 HGAB CCCC(=O)N1CCN(c2nc3sc4c(c3c(=O)n2CC(C)C)CCCC4)CC1 20744819 PHDYMUHRMPCPKE-UHFFFAOYSA-N 416.591 3.442 0 40 HGAB CCOc1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc(OC)ccc2C)cc1 22229915 AUHYGWYIAHOCGH-IBGZPJMESA-N 418.515 3.194 0 40 HGAB CCOc1cccc(NC(=O)CN(c2ccc(OC(C)C)cc2)S(C)(=O)=O)c1 22395554 ZLSKNBQIWWAGRQ-UHFFFAOYSA-N 406.504 3.277 0 40 HGAB CC(C)C[C@@H](NC(=O)CN(c1ccccc1)S(=O)(=O)N(C)C)c1ccccc1 22533575 NSBBMQNGQVOFCZ-HXUWFJFHSA-N 403.548 3.203 0 40 HGAB COC(=O)c1ccc(C)c(NC(=O)CN2CCCN(Cc3ccc(F)cc3)CC2)c1 22836999 XEPDVRHBOHROIG-UHFFFAOYSA-N 413.493 3.067 0 40 HGAB C[C@@H](CC(=O)NCCCN1CCOCC1)CC(=O)Nc1cccc(Cl)c1Cl 23157223 WCEBUCOZJYKVJE-AWEZNQCLSA-N 416.349 3.187 0 40 HGAB COC(=O)c1ccc2[nH]c3c(c2c1)CN(C(=O)c1cc(C)nc2onc(C)c12)CC3 25454445 QSKFZEIARLEUMY-UHFFFAOYSA-N 404.426 3.306 0 40 HGAB CC(C)Cn1c(SCCOc2ccc(S(N)(=O)=O)cc2)nnc1-c1ccco1 27576421 OXSMDOIGFBVODT-UHFFFAOYSA-N 422.532 3.013 0 40 HGAB CCOc1ccc([C@H]2CCCN2CC(=O)N(CCC(N)=O)c2ccc(F)cc2)cc1 32773047 NAWHXTYHZGMCPT-OAQYLSRUSA-N 413.493 3.270 0 40 HGAB CCc1nc(C)c2c(C)c(C(=O)N3C[C@@H](C(=O)N(C)C)Oc4ccccc43)sc2n1 32903168 PNQIAYOUXUJKNQ-INIZCTEOSA-N 424.526 3.367 0 40 HGAB C[C@@H](NC(=O)[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1)c1ccccc1)c1ccccc1 35485237 ZGJVNRUSVAJNSC-PUZWTLIVSA-N 413.521 3.436 0 40 HGAB biogenic O=c1c2cnc3nc(C(F)(F)F)nn3c2ccn1-c1cccc(OC(F)(F)F)c1 38783798 NQKNLDGYHMIKDW-UHFFFAOYSA-N 415.253 3.346 0 40 HGAB CC(=O)Nc1cccc(-n2cnnc2S[C@H](C)c2nnnn2-c2ccccc2)c1 40089708 YAXWLHLBCIADMM-CYBMUJFWSA-N 406.475 3.055 0 40 HGAB CC(C)c1ccc(NC(=O)C(=O)NCc2cccnc2-n2cncn2)c(C(C)C)c1 41564751 WUJOIGHQUNOANH-UHFFFAOYSA-N 406.490 3.164 0 40 HGAB COC(=O)c1sc(Cl)cc1S(=O)(=O)NCCc1c[nH]c2ccc(F)cc12 44890521 UGWVNXBHRDWIKA-UHFFFAOYSA-N 416.883 3.330 0 40 HGAB O=C(NCc1ccc(F)cc1)[C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 44901816 JVHNTPGTEAIVIR-FQEVSTJZSA-N 418.534 3.117 0 40 HGAB CCCCc1ccc(NC(=O)Cn2nc(N3CCOCC3)c3ccccc3c2=O)cc1 49007225 GINUAISNLRFQEV-UHFFFAOYSA-N 420.513 3.214 0 40 HGAB O=C(Cn1nc2c(Oc3ccccc3)nccn2c1=O)Nc1ccc(F)cc1Cl 49008250 ZDAOIBTXWGNVPY-UHFFFAOYSA-N 413.796 3.115 0 40 HGAB CCCNC(=O)CN(CCC)C(=O)c1cc(-c2ccccc2)nc2c1cnn2CC 54327741 XAONGBZKVZBCOC-UHFFFAOYSA-N 407.518 3.497 0 40 HGAB C[C@H]1CCc2c(sc3nc(CCN4CCN(c5nccs5)CC4)nc(N)c23)C1 57727624 ARVGIAJOQNZZRA-ZDUSSCGKSA-N 414.604 3.220 0 40 HGAB C[C@@H]1CCc2c(sc(NC(=O)CCN3C(=O)CCC3=O)c2C(=O)c2ccco2)C1 58245319 PTNQRNFHGRMLHC-GFCCVEGCSA-N 414.483 3.175 0 40 HGAB CCN(C[C@H]1CCN(C(=O)Cc2cc(C(C)=O)ccc2OC)C1)CC(F)(F)F 72311402 PPVFGDOLIVALCP-OAHLLOKOSA-N 400.441 3.173 0 40 HGAB Cc1ccc([C@H](C)C(=O)N2CCC3(CC2)C[C@@]2(CO3)NC(=O)c3ccccc3N2)cc1 72325262 XCRSDXIHWQAWLH-BVZFJXPGSA-N 419.525 3.432 0 40 HGAB CC(C)(C)CC(=O)N1CCO[C@@](Cc2ccc(-c3cccs3)cc2)(C(N)=O)C1 72389211 BHEWYMCTJFEKPR-JOCHJYFZSA-N 400.544 3.477 0 40 HGAB CCOc1ncc([C@]2(O)CC[C@H]3CN(Cc4ccc(OC)cc4)C[C@H]32)c(OCC)n1 72392644 NUETZNRVWHJNHC-XTQVGHSUSA-N 413.518 3.012 0 40 HGAB COc1cc(C(=O)N2Cc3ccccc3OC[C@@H]2Cn2ccnc2)cc(OC)c1OC 72394820 RCHPYNWASQAKFS-SFHVURJKSA-N 423.469 3.013 0 40 HGAB O=C(c1cnn2ccccc12)N1CCN(C(=O)C2(c3cccs3)CCCC2)CC1 77101292 JPOCOEHHNFCKAH-UHFFFAOYSA-N 408.527 3.192 0 40 HGAB O=c1occ(CN2CCN(c3cccc(Cl)c3)CC2)c(O)c1CN1CCCCC1 79490904 DNXSGIMZFKWAQQ-UHFFFAOYSA-N 417.937 3.307 0 40 HGAB COc1cccc(C2=NN=C(Nc3c(C)n(C)n(-c4ccccc4)c3=O)SC2)c1 89499654 IGHMVVVWBCNAOP-UHFFFAOYSA-N 407.499 3.412 0 40 HGAB C[C@H]1CCOCCN1C(=O)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1 95462124 OUZKQGMWIFYILZ-AWEZNQCLSA-N 408.907 3.392 0 40 HGAB Cc1cc(C)cc(N(CN2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@@H]3C2=O)C(=O)C(F)(F)F)c1 100395569 GEIPTPIPTRNSCC-SUMCQTLJSA-N 418.415 3.209 0 40 HGAB Cc1cccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4CC=CC[C@H]4C3=O)c2)c1 135681954 HPBYUXFKKXTNOT-BGYRXZFFSA-N 418.449 3.246 0 40 HGAB CC[C@H](C(=O)NCCSc1ccccc1)N(c1ccc(OC)cc1)S(C)(=O)=O 220641157 SFWZAMWUZWSBBP-LJQANCHMSA-N 422.572 3.148 0 40 HGAB COC(=O)c1cc(S(=O)(=O)Nc2ccccc2C(=O)N2CCCC2)ccc1Cl 223829291 WXTJEIGJYWYIES-UHFFFAOYSA-N 422.890 3.163 0 40 HGAB CC(C)(C)c1ccc(N(CC(=O)NCCOCc2ccccc2)S(C)(=O)=O)cc1 224056450 DGUZJJOWDUMNHU-UHFFFAOYSA-N 418.559 3.083 0 40 HGAB O=c1sc2cc(S(=O)(=O)NCc3ccco3)ccc2n1Cc1ccccc1 225740371 YACCZBQQCTYLJD-UHFFFAOYSA-N 400.481 3.183 0 40 HGAB CN(c1cccc(NC(=S)NC2(c3cccnc3)CCCC2)c1)S(C)(=O)=O 225858381 VZBWTKIGYCOPFZ-UHFFFAOYSA-N 404.561 3.233 0 40 HGAB COCCc1ncc(CN2CCO[C@@H](c3cc(Nc4ccccn4)cc(C)n3)C2)cn1 257249316 JHQPWSBMPQDLSG-OAQYLSRUSA-N 420.517 3.081 0 40 HGAB CN(C)C(=O)[C@]1(c2ccccn2)CCCN(Cc2cccc(Oc3ncccn3)c2)C1 257270625 MUYXBLNNFDBUIL-XMMPIXPASA-N 417.513 3.286 0 40 HGAB Cc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2ccc(N(C)S(C)(=O)=O)cc2)cc1C 260761163 FPZVVFHVWVZPAQ-SJORKVTESA-N 404.532 3.344 0 40 HGAB Cc1cccc(CN2Cc3c(nn(C)c3O)C3(CCN(Cc4ccccc4)CC3)C2)n1 306139823 UBOPAYCOJBFWHU-UHFFFAOYSA-N 417.557 3.379 0 40 HGAB COc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N3CCCC3)c2)cc1OC 408607116 QCAKGXJDMKPRKI-UHFFFAOYSA-N 404.488 3.049 0 40 HGAB Cc1ccc(C)c(N2C[C@@H](C(=O)Oc3cccc(N4C(=O)CCCC4=O)c3)CC2=O)c1 408639924 HMZPCHPFPQCMLK-KRWDZBQOSA-N 420.465 3.305 0 40 HGAB COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2c(OC)ccc3ccc(OC)cc23)C1=O 409108497 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COc1cccc(C(=O)N2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)c1OC 9990075 NIJNHGWMDZJSFR-UHFFFAOYSA-N 411.454 3.210 0 40 HGAB Cc1nc2cc(F)ccc2cc1C(=O)O[C@H](C)C(=O)N1CC(=O)Nc2ccccc21 10926430 FERTZNQIRVSMNT-CYBMUJFWSA-N 407.401 3.213 0 40 HGAB C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1CCC(CCc2ccccc2)CC1 11155239 INTBAQLLQMYIKL-KRWDZBQOSA-N 415.559 3.006 0 40 HGAB COc1cc(OC)cc(C(=O)N[C@@H](C(=O)N2CCc3sccc3C2)C(C)C)c1 12215581 BQKIHMSDXDMLPF-LJQANCHMSA-N 402.516 3.105 0 40 HGAB COCCn1c(SCC(=O)NCc2ccccc2OC)nnc1-c1ccccc1 12353340 UBYOWMGKEOPOLP-UHFFFAOYSA-N 412.515 3.009 0 40 HGAB Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2OCC(F)(F)F)cc1 12770559 DNZDUSLJFYOOCI-UHFFFAOYSA-N 416.421 3.195 0 40 HGAB Cc1c(Cl)cccc1NC(=O)CNC(=O)c1nc(C)n(-c2ccc(F)cc2)n1 12775975 LZOJLEDVFXOZAT-UHFFFAOYSA-N 401.829 3.045 0 40 HGAB Cc1ccc(O[C@@H](C)C(=O)N(Cc2nc3ccccc3c(=O)[nH]2)C[C@@H]2CCCO2)cc1 12778275 BFZKUAXDMAZPDA-HKUYNNGSSA-N 421.497 3.207 0 40 HGAB COc1ccccc1[C@@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 12802017 FLNZOYWXRBPKRC-OAHLLOKOSA-N 420.506 3.112 0 40 HGAB CCOC(=O)c1ccc(NC(=O)CN(c2ccc(C)cc2C)S(C)(=O)=O)c(C)c1 13668783 RITVFHCCWUKSGK-UHFFFAOYSA-N 418.515 3.193 0 40 HGAB O=C(Nc1nccs1)c1ccc(N2C(=O)[C@@H]3Cc4ccccc4CN3C2=O)cc1 13691115 NYXSYLXSWGEHHZ-KRWDZBQOSA-N 404.451 3.289 0 40 HGAB CC(C)(C)c1ccc(OCC(=O)Nc2ccc(CC(=O)N3CCOCC3)cc2)cc1 13714602 SAIYXRFNANZUFZ-UHFFFAOYSA-N 410.514 3.403 0 40 HGAB O=C(NCc1ccc2c(c1)OCO2)[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 13999426 ZRRNIWLBLVJNCM-ZDUSSCGKSA-N 406.360 3.103 0 40 HGAB O=C(OCCCc1ccncc1)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O 16003878 FRVOBKULZJAXFQ-UHFFFAOYSA-N 407.447 3.248 0 40 HGAB CC(=O)N[C@@H](CC(=O)NCc1ccc(N2CCCC2=O)cc1)c1ccc(Cl)cc1 16515685 IFYIBPWJSLVCKF-FQEVSTJZSA-N 413.905 3.351 0 40 HGAB Cc1cc(C)c(NC(=O)CNC(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)c(C)c1 17960665 YNQHGWZBZYCEFW-INIZCTEOSA-N 413.905 3.373 0 40 HGAB Cc1cc2n(n1)[C@@H](C(F)F)C[C@@H]([C@H]1CCCN(C(=O)CN3CCCCCC3)C1)N2 19127898 NQFJABAXMBTGRU-OKZBNKHCSA-N 409.525 3.297 0 40 HGAB COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(C)c(Cl)c4)C(=O)[C@H]3N3CCCN23)cc1 19169110 ZWKGDCTXNBEQDU-AQNXPRMDSA-N 411.889 3.193 0 40 HGAB CCN1CCN(CC2=CCCOC2)C[C@@H](Cc2ccccc2-c2cccnc2)C1=O 19527700 MJBTXDRJRJPGOM-HSZRJFAPSA-N 405.542 3.418 0 40 HGAB Cc1c(C(=O)N2CCC[C@@H](c3cc4nc(C(F)(F)F)ccc4c(=O)[nH]3)C2)cnn1C 19553278 CRQSUAKFMGHNFK-GFCCVEGCSA-N 419.407 3.004 0 40 HGAB Cc1cc(-c2cnn(C)c2)cc(C2CCN(C(=O)COC[C@@H]3CCCCO3)CC2)n1 19692104 MKAGWJRASRQULD-NRFANRHFSA-N 412.534 3.082 0 40 HGAB Cc1c(C(=O)N2CCC[C@@H](c3nc(N(C)C)ncc3-c3cccc(F)c3)C2)cnn1C 19694057 LKZFXRFTVXZMFA-QGZVFWFLSA-N 422.508 3.410 0 40 HGAB Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)c1cc(-c2ccn(C)n2)nc2ccccc12 19716395 PGGOKRCLAWBNBC-CQSZACIVSA-N 402.502 3.347 0 40 HGAB CCC(=O)N1CCC[C@@H](c2nc(C)c3c(n2)N(Cc2cccc(OC)c2)C(=O)CC3)C1 19739440 KGRLCMMSOVJFJE-GOSISDBHSA-N 422.529 3.389 0 40 HGAB CCN(CC)C(=O)CN1CCCC[C@H]1c1nc(C)ncc1C(=O)Nc1ccccc1 19766923 JYPCYZWJFBVIGL-FQEVSTJZSA-N 409.534 3.433 0 40 HGAB CC(=O)c1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccc(F)cc3)C2)c1 19863060 CBOWBGYUBGVDFE-SFHVURJKSA-N 418.490 3.209 0 40 HGAB Cc1ccc(N(CC(=O)Nc2ccc(Br)cc2)S(C)(=O)=O)cc1C 19946727 RZKUCLASTKOPEL-UHFFFAOYSA-N 411.321 3.471 0 40 HGAB CS(=O)(=O)N1C[C@@H](C(=O)N[C@@H]2CCCc3ccccc32)Oc2ccc(Cl)cc21 20493929 GQIUBHDVAPYQJN-APWZRJJASA-N 420.918 3.061 0 40 HGAB Cc1[nH]c2ccccc2c1C(=O)COC(=O)c1ccc(=O)n(Cc2ccccc2)n1 20973576 JFPFSJCJLIGTHQ-UHFFFAOYSA-N 401.422 3.121 0 40 HGAB CCN(CC(=O)N[C@@H](C)c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)c(C)c1 22539280 WOQDHQWPZDDKBN-HNNXBMFYSA-N 408.495 3.031 0 40 HGAB Cc1ccc(C)c(COc2coc(CN3CCN(C(=O)c4ccco4)CC3)cc2=O)c1 22852833 MUKPCPDQPISDKC-UHFFFAOYSA-N 422.481 3.387 0 40 HGAB O=C(c1ccc(Cn2nnc3ccccc32)cc1)N1CCN(Cc2ccsc2)CC1 23936856 JBFPPOSRECRTBV-UHFFFAOYSA-N 417.538 3.499 0 40 HGAB COc1cc(OC)cc([C@H](NC(=O)Cc2noc3ccccc23)c2nccn2C)c1 24023712 XKZRZZVWSWIUBD-NRFANRHFSA-N 406.442 3.027 0 40 HGAB Cc1ccc(C(=O)C2CCN(C(=O)Cn3nnc(-c4ccccc4)n3)CC2)c(C)c1 24456951 NMAYGIIANMNJNI-UHFFFAOYSA-N 403.486 3.078 0 40 HGAB O=C(NCC1(N2CCOCC2)CCCCC1)c1ccc(OC[C@@H]2CCCO2)cc1 29992221 YABUQPVSBFVIRL-NRFANRHFSA-N 402.535 3.009 0 40 HGAB Cc1ccc(S(=O)(=O)NCCCCN2CCN(c3cccc(C)c3)CC2)cc1 30361120 QECNMOILKNIHBW-UHFFFAOYSA-N 401.576 3.184 0 40 HGAB CCNS(=O)(=O)c1ccc(NC(=O)c2occc2COc2ccccc2)cc1 31169272 LTHRUGYSRFAOAW-UHFFFAOYSA-N 400.456 3.409 0 40 HGAB CSc1ncc(Cl)c(C(=O)NC2CCN(C(=O)Nc3ccccc3)CC2)n1 32753494 WTOXUVCYUUXWGK-UHFFFAOYSA-N 405.911 3.278 0 40 HGAB CC(C)n1cnn(CN2CCc3cc(S(=O)(=O)N4CCCCC4)ccc32)c1=S 32803806 VAKRASQYEVOHFE-UHFFFAOYSA-N 421.592 3.190 0 40 HGAB Cc1ccc(-c2noc(CN3CCN(C(=O)c4cn(C)c5ccccc45)CC3)n2)cc1 32891444 HGSSSHWZHQQMIM-UHFFFAOYSA-N 415.497 3.495 0 40 HGAB O=C(CCn1cnc2ccccc2c1=O)Nc1nnc(CCc2ccccc2)s1 36364814 JWEPMAHHWHWIIZ-UHFFFAOYSA-N 405.483 3.062 0 40 HGAB C[C@@H]1Oc2ccccc2O[C@H]1C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 36627984 LEOLTTKVPZYLBA-MGPUTAFESA-N 416.499 3.028 0 40 HGAB Cc1ccccc1Nc1nc(N)nc(CN(C)Cc2cnn(Cc3ccccc3)c2)n1 37406130 SYLACEJYGOJRKY-UHFFFAOYSA-N 414.517 3.383 0 40 HGAB CCN1CCN(c2ncc(-c3cc(=O)[nH]c(Nc4cccc(C)c4C)n3)c(C)n2)CC1 39404008 OYTIYYHEUHOXCC-UHFFFAOYSA-N 419.533 3.038 0 40 HGAB O=C(c1cccc(OC[C@@H]2CCCO2)c1)N1CCC[C@H](c2nnc3ccccn23)C1 40049206 RSUYQYIUIAZDPN-ICSRJNTNSA-N 406.486 3.307 0 40 HGAB Cc1ccc(C)c([C@H](C)NC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(C)ccc3O2)c1 44905927 MNIZVPDRPREBLV-OXJNMPFZSA-N 402.516 3.016 0 40 HGAB C[C@@H](SCc1cccc(S(=O)(=O)N(C)C)c1)C(=O)N(C)Cc1ccccc1 45090014 GQOQVWXGGCSUDP-MRXNPFEDSA-N 406.573 3.217 0 40 HGAB Cc1cc(-n2c(=O)c3sccc3n(CC(=O)NC3CCCCC3)c2=O)ccc1F 57494237 JUSFZRIWPXRICG-UHFFFAOYSA-N 415.490 3.110 0 40 HGAB COc1cc(OC)c2[nH]c(C(=O)O[C@H](C)C(=O)Nc3ccc4c(c3)OCO4)cc2c1 58154506 QYAYHPVEZROJPS-LLVKDONJSA-N 412.398 3.098 0 40 HGAB O=C(Nc1ccc(C(=O)N2CCSCC2)cc1)N1CCN(c2ccccc2)CC1 71279163 AMEUILQVFIXTJW-UHFFFAOYSA-N 410.543 3.230 0 40 HGAB Cc1ccc(CNC(=O)Cn2nnc(C(=O)Nc3c(C)cc(C)cc3C)c2C)cc1 71327255 JAWOIXKJMZWBPQ-UHFFFAOYSA-N 405.502 3.389 0 40 HGAB O=C(O)[C@H]1COC2(CCN(Cc3ccccc3)CC2)N1C(=O)c1cccc(Cl)c1 71980653 WGOCWTXONRKROI-LJQANCHMSA-N 414.889 3.258 0 40 HGAB CC(C)Cn1c(SCC(=O)Nc2ccc(C(=O)O)cc2)nnc1-c1cccnc1 72191565 BVDSUQYSAJUBPH-UHFFFAOYSA-N 411.487 3.425 0 40 HGAB Cc1cc(C)nc(Nc2cc(C)nc([C@@H]3CCCN(C(=O)c4cccnc4)C3)n2)n1 72360011 IBFAKZBJZKYVHY-GOSISDBHSA-N 403.490 3.350 0 40 HGAB Cc1[nH]nc(-c2nn3c(-c4cc(CC(C)C)nn4C)nnc3s2)c1Br 72406286 JFEUBHRBFKBWBN-UHFFFAOYSA-N 421.328 3.246 0 40 HGAB O=C(NCCC(=O)N1CCN(Cc2cccc(O)c2)CC1)c1ccc2ccccc2c1 89878705 KEISRUFKKRPMCT-UHFFFAOYSA-N 417.509 3.010 0 40 HGAB C[C@H](NCc1cccc(C(=O)Nc2ccccc2)c1)c1ccc(S(N)(=O)=O)cc1 95459712 CEGFMUVQUXCSML-INIZCTEOSA-N 409.511 3.437 0 40 HGAB C[C@@H](NCc1cccc(C(=O)Nc2ccccc2)c1)c1ccc(S(N)(=O)=O)cc1 95459713 CEGFMUVQUXCSML-MRXNPFEDSA-N 409.511 3.437 0 40 HGAB CC1(C)CC(=O)C(Sc2nnc(-c3ccc(O)cc3)n2C[C@@H]2CCCO2)C(=O)C1 100314969 GCRHMCGKGWNMEC-HNNXBMFYSA-N 415.515 3.249 0 40 HGAB CCOC(=O)c1s/c(=N\C(=O)COc2ccc(Cl)cc2Cl)n(C)c1C 100837635 DJYJWADKEWCTGJ-MNDPQUGUSA-N 403.287 3.385 0 40 HGAB O=C(CCN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O)Nc1ccc(Cl)cc1Cl 102086106 FSHJIJIUGQWLFU-OPFBACGJSA-N 405.281 3.375 0 40 HGAB COC(=O)[C@H]1[C@H](C(=O)O)[C@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl 102911240 QKWFVUXZTLJYQY-KYUMBNEZSA-N 402.872 3.322 0 40 HGAB CCCOC(=O)c1ccc(NC(=O)COC(=O)C2C[C@@H]3CCC[C@@H](C2)C3=O)cc1 103137995 IUTODOSFPFNPSW-HOTGVXAUSA-N 401.459 3.131 0 40 HGAB COc1ccc(CNC(=O)CCCN(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1 113968614 XDLIHFJTZMGDNO-UHFFFAOYSA-N 404.532 3.175 0 40 HGAB C[C@@H](C(=O)N[C@H]1CC(C)(C)Oc2ccccc21)N(c1cccc(F)c1)S(C)(=O)=O 220486206 PREHPGWTEYYIHH-KSSFIOAISA-N 420.506 3.399 0 40 HGAB CC[C@@H](C(=O)N[C@@H](C)c1ccc(F)cc1)N(c1ccc(OC)cc1)S(C)(=O)=O 220657540 XDOGDQMTWNUSIL-LIRRHRJNSA-N 408.495 3.256 0 40 HGAB COc1ccccc1N(CCCC(=O)NCCSc1ccccc1)S(C)(=O)=O 222578238 WURDXLOEMMFNKR-UHFFFAOYSA-N 422.572 3.150 0 40 HGAB CCOc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2CCO)cc1 223588487 DTJKZCNAORQRNV-LEWJYISDSA-N 408.527 3.236 0 40 HGAB COc1ccccc1-n1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1CCCO 223609232 GQKFOWCXXXCXJX-LEWJYISDSA-N 408.527 3.236 0 40 HGAB COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)c(C)c1C 223900857 VIQHBQWYVIUJRM-MRXNPFEDSA-N 418.515 3.022 0 40 HGAB Cc1ccc(C)c(N([C@@H](C)C(=O)NCCc2ccc(Cl)cc2)S(C)(=O)=O)c1 224040822 DIOFGYJRLAUAGM-INIZCTEOSA-N 408.951 3.470 0 40 HGAB CC[C@@H](C(=O)NCCOc1ccc(C)c(C)c1)N(c1ccc(F)cc1)S(C)(=O)=O 224310872 TXRMTRKBSNVCFW-FQEVSTJZSA-N 422.522 3.182 0 40 HGAB CC[C@H](C(=O)NCCOCc1ccccc1)N(c1ccc(C)c(C)c1)S(C)(=O)=O 224313108 VSXFWVKEGZCEBU-OAQYLSRUSA-N 418.559 3.181 0 40 HGAB COC(=O)CN(c1ccc(Br)c(Cl)c1)S(=O)(=O)c1ccccc1 224674042 KXDZEHNUDSEBOU-UHFFFAOYSA-N 418.696 3.471 0 40 HGAB COC(=O)c1cc(S(=O)(=O)NCCCc2ccc(OC(C)C)cc2)ccc1C 225548665 IUWSCCACXWKVIZ-UHFFFAOYSA-N 405.516 3.480 0 40 HGAB CCN(CC(=O)N[C@@H](C)CCc1ccccc1)S(=O)(=O)c1cc(C)ccc1C 225935107 BUFFWWIOSMHVHK-IBGZPJMESA-N 402.560 3.452 0 40 HGAB CCN1CCN(c2ccc(NC(=O)c3cccc(Br)c3)cc2N)CC1 226263401 ATAUCOKUPOKPIK-UHFFFAOYSA-N 403.324 3.426 0 40 HGAB COc1ccc2nc(CN3[C@H]4CC[C@H]3c3cnc(N5CCOCC5)nc3C4)ccc2c1 247951228 LVJOOLAQNQCXEY-MBSDFSHPSA-N 417.513 3.132 0 40 HGAB Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccoc2)N2CCSCC2)cc1Cl 253405944 TZMOFVZKJXRLOO-KRWDZBQOSA-N 407.923 3.086 0 40 HGAB COc1ccc([C@@H]2[C@H]3CCCC[C@@]3(O)CCN2CC(=O)Nc2cc(C)n(C)n2)cc1 257334676 YGYGJXGOBGILJR-UEVCKROQSA-N 412.534 3.044 0 40 HGAB CC(C)n1cnc([C@H]2CN(C(=O)c3ccccc3)C[C@@]23CCN(CC2CC2)C3=O)c1 306132691 LPHXGAULCPHTHW-YKSBVNFPSA-N 406.530 3.332 0 40 HGAB CN(C)S(=O)(=O)c1cc(C(=O)N2CCc3c(Cl)cc(Cl)cc3C2)co1 535193025 ZZTCRKXNNQPGQB-UHFFFAOYSA-N 403.287 3.035 0 40 HGAB COCCOc1cc(CN(C)C[C@@H](O)COc2ccc(C)cc2C)ccc1OC 585262495 FTDJUZXEDTZFLE-HXUWFJFHSA-N 403.519 3.209 0 40 HGAB C[C@H]1CCC[C@H](OCC(=O)NCC(C)(C)CNC(=O)CO[C@H]2CCC[C@@H](C)C2)C1 602770712 MUHUEYYILWOTCD-YRPNKDGESA-N 410.599 3.436 0 40 HGAB COc1ccc(CCN[C@H](C(=O)c2ccc(OC)cc2)c2oc(C)cc(=O)c2O)cc1 1547139029 YVNIYWBAPRMTET-OAQYLSRUSA-N 423.465 3.427 0 40 HGAB biogenic COc1cccc(NC(=O)CSc2nnc(COc3cccc(OC)c3)n2C)c1 928983 GVPNSACQPAUVGK-UHFFFAOYSA-N 414.487 3.142 0 40 HGAB CCOC(=O)[C@H](C)Oc1cccc2c(=O)n(CC(=O)Nc3cccc(C)c3)ccc12 2712269 RUQGJNHHSQNREP-INIZCTEOSA-N 408.454 3.279 0 40 HGAB CCS(=O)(=O)Nc1cccc(C2=NN(C(C)=O)[C@@H](c3ccccc3OC)C2)c1 4036302 SHVMWYAIFNHYOF-LJQANCHMSA-N 401.488 3.154 0 40 HGAB CC(C)NC(=O)Cn1c(SCC(=O)N2CCc3ccccc3C2)nc2ccccc21 4092783 PKDWHFNOHJVSEB-UHFFFAOYSA-N 422.554 3.238 0 40 HGAB CCc1nnc(NC(=O)CSc2nnc(CNc3ccc(Cl)cc3)o2)s1 4160849 RDYHKXCSTWFILI-UHFFFAOYSA-N 410.912 3.480 0 40 HGAB O[C@H](COCCOc1ccc(Br)cc1)CN1CCc2ccccc2C1 4305291 NNJFKJJMJUZTET-IBGZPJMESA-N 406.320 3.264 0 40 HGAB O=c1[nH]cc(-c2ccncc2)cc1NS(=O)(=O)c1ccc(OC(F)(F)F)cc1 4623522 DDPXENFXGZQPDU-UHFFFAOYSA-N 411.361 3.136 0 40 HGAB COc1ccccc1OCCSc1nnc([C@H](C)NC(=O)c2ccccc2)n1C 4998641 KMXMHRBWIXPJME-HNNXBMFYSA-N 412.515 3.486 0 40 HGAB COc1ccc([C@H](C)N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)OCc3ccccc3)[C@H]4C2=O)cc1 5163905 IWQFKCBKKFOHQE-FKQHAXHISA-N 419.477 3.282 0 40 HGAB COc1ccc(N2C[C@H](NC(=O)Nc3cccc(Br)c3)CC2=O)cc1 5191167 LNSLZKAKOPTWOT-CQSZACIVSA-N 404.264 3.385 0 40 HGAB Cc1ccc(O[C@@H](C)C(=O)N(Cc2ccccc2)[C@H]2CCS(=O)(=O)C2)cc1C 5533187 JQMSYXRKDYAGQQ-ICSRJNTNSA-N 401.528 3.287 0 40 HGAB C[C@H]1CCCCN1C(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1 6087894 RSJVNOKDKJPXAP-RRFJBIMHSA-N 414.955 3.153 0 40 HGAB CSc1nc(N2CCCC2)c2cc(C(=O)NCCCn3ccnc3)sc2n1 7342981 UKQUPIOWQNVENO-UHFFFAOYSA-N 402.549 3.030 0 40 HGAB COc1ccc(Cl)cc1N([C@H](C)C(=O)NC(C(C)C)C(C)C)S(C)(=O)=O 7872163 AWWCZQMOFPTGRQ-CYBMUJFWSA-N 404.960 3.300 0 40 HGAB Cc1ccc(Cl)cc1NC(=O)COC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 8760647 NNCKFPPZLYFFCV-MRXNPFEDSA-N 400.862 3.179 0 40 HGAB CN(Cc1ccccc1)[C@@H]1CC(=O)N(c2ccc(I)cc2)C1=O 9008023 UXYHRWKZHDJGPW-MRXNPFEDSA-N 420.250 3.055 0 40 HGAB COc1ccccc1CNC(=O)[C@H](C)N(c1cc(Cl)ccc1C)S(C)(=O)=O 10372087 VFVPUBBUXYGCTP-AWEZNQCLSA-N 410.923 3.128 0 40 HGAB CC(C)(C)c1ccc(S(=O)(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)cc1 10518275 DOPXBAZDLBQGDD-UHFFFAOYSA-N 408.545 3.226 0 40 HGAB O=C(NCCS(=O)(=O)N1CCc2ccccc2C1)c1ccc(-c2ccccc2)cc1 10704941 OANUERSZDLDVRL-UHFFFAOYSA-N 420.534 3.472 0 40 HGAB CS(=O)(=O)N1CCC(C(=O)Nc2nc3c(Cl)c(Cl)ccc3s2)CC1 11379273 ZDJRUCQPIQWXQC-UHFFFAOYSA-N 408.332 3.213 0 40 HGAB CCCN(CC1CC1)C(=O)COC(=O)CNC(=O)c1ccc(Oc2ccccc2)cc1 11517587 BLTUOTAROUQGFM-UHFFFAOYSA-N 424.497 3.401 0 40 HGAB CC(C)c1cc(=O)[nH]c(-n2nc(C3CC3)cc2NC(=O)COc2ccccc2F)n1 12126316 IWGLIKYHLXROIE-UHFFFAOYSA-N 411.437 3.113 0 40 HGAB CCOC(=O)c1cc(Cl)cnc1C1CCN(C(=O)c2ccnc(OC)c2)CC1 12186649 ZUODJWYTAYQHHO-UHFFFAOYSA-N 403.866 3.335 0 40 HGAB CC(C)[C@H](CO)NC(=O)C1(Cc2cc(-c3ccc(F)cc3F)no2)CCOCC1 12220107 DCBCUKZQRPENFM-IBGZPJMESA-N 408.445 3.092 0 40 HGAB Cc1nn(CC(=O)N2CCC[C@@H](c3nc4ccc(F)cc4cc3C(N)=O)C2)c(C)c1C 12255688 WMZZGHCGSBOZBP-MRXNPFEDSA-N 423.492 3.001 0 40 HGAB C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)NC3CCCCCCC3)c2)C[C@@H](C)O1 12677598 HCLPZACDEOLGSK-CALCHBBNSA-N 408.564 3.327 0 40 HGAB CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccn(-c3ccccc3)n2)c1 12734871 WEGPKBYVIAZJHB-UHFFFAOYSA-N 404.879 3.028 0 40 HGAB Cc1ccc2[nH]c(=O)c(CN(C[C@H]3CCCO3)C(=S)NCc3ccco3)cc2c1 13471786 WGIGVIKMZZEKSI-LJQANCHMSA-N 411.527 3.485 0 40 HGAB CCOc1ccccc1/C=c1\sc2nnc(-c3cc(Cl)ccc3OC)n2c1=O 13547523 WRTJBWYGONNHHU-YVLHZVERSA-N 413.886 3.426 0 40 HGAB C[C@@H](NC(=O)c1ccc(Cl)cc1)c1nnc(SCC(=O)NC2CCCC2)n1C 13567174 XGPMZRTXZFSUBD-GFCCVEGCSA-N 421.954 3.110 0 40 HGAB CCN(CC(=O)Nc1cc(Cl)ccc1C)S(=O)(=O)c1cc(F)ccc1OC 13581188 HTTYQHZUVSVNHR-UHFFFAOYSA-N 414.886 3.445 0 40 HGAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc(C(F)(F)F)c2)cc1 13633156 CDDNNUATJMXLDT-UHFFFAOYSA-N 416.421 3.363 0 40 HGAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(N(CC)S(C)(=O)=O)cc1 13682145 CKMVSNNLKGCMGU-HNNXBMFYSA-N 417.531 3.253 0 40 HGAB O=C(Nc1cccc(Cl)c1N1CCOCC1)C1CCN(C(=O)c2ccco2)CC1 14126823 ZPNFIMFIWIMSQQ-UHFFFAOYSA-N 417.893 3.261 0 40 HGAB C[C@@H](Sc1nc2ccccc2c(=O)n1CCCO)C(=O)N1CCCc2ccccc21 14241697 NGWHISBMAYQGDB-MRXNPFEDSA-N 423.538 3.239 0 40 HGAB CCOc1cc(C(=O)N[C@H](C)c2cccc(S(N)(=O)=O)c2)ccc1OCC(C)C 14251264 IFYKSEAINAEDHY-OAHLLOKOSA-N 420.531 3.259 0 40 HGAB CC(=O)Nc1ccc(CN2C[C@H](O)C[C@H]2c2nc(-c3ccc(C)c(F)c3)no2)cc1 15674338 LJMLTMNWJIOWOT-QUCCMNQESA-N 410.449 3.450 0 40 HGAB biogenic,in-vitro CNS(=O)(=O)c1ccc(NC(=O)c2csc(COc3ccc(C)cc3)n2)cc1 16224404 VQRFWYKQMDWEGN-UHFFFAOYSA-N 417.512 3.191 0 40 HGAB C[C@@H](NC(=O)CCC(=O)c1ccc2c(c1)OCCCO2)c1ccc(-n2cncn2)cc1 18159917 PGRXCZGEBFLUCX-MRXNPFEDSA-N 420.469 3.269 0 40 HGAB Cc1ccc(Cc2cnc(NC(=O)CCn3[nH]c(=O)c4ccccc4c3=O)s2)cc1 18701205 QZWYAMTUPXQGHS-UHFFFAOYSA-N 420.494 3.074 0 40 HGAB Cc1ccc([C@@H](NC(=O)C[C@H]2C(=O)NCCN2C2CCCC2)c2ccncc2)cc1C 19213513 KLXJHJNOELDXIP-UPVQGACJSA-N 420.557 3.037 0 40 HGAB Cc1ccc([C@H](NC(=O)C[C@H]2C(=O)NCCN2C2CCCC2)c2ccncc2)cc1C 19213515 KLXJHJNOELDXIP-LADGPHEKSA-N 420.557 3.037 0 40 HGAB CC(=O)N1C[C@@H](c2cccc(C)c2)[C@@H]2CN(S(=O)(=O)c3ccc(F)cc3)CC[C@@H]21 19235233 JDAQUOYLLGDZKW-FKBYEOEOSA-N 416.518 3.159 0 40 HGAB O=c1cc([C@@H]2CCCN(Cc3cncc4c(Cl)n[nH]c34)C2)nc(-c2ccccn2)[nH]1 19402779 QUYBINHGNVMINR-CYBMUJFWSA-N 421.892 3.136 0 40 HGAB COCC(=O)N1CCC[C@H](c2nc(C)c3c(n2)N(Cc2ccc(OC)cc2)CCC3)C1 19706623 NWNUCBMAGWAJAN-IBGZPJMESA-N 424.545 3.099 0 40 HGAB CNc1nc([C@@H]2CCCN2C(C)=O)nc2c1CCN(Cc1ccc3ncccc3c1)C2 19707316 WMTLHEIKFORTGN-QFIPXVFZSA-N 416.529 3.308 0 40 HGAB C[C@@H](Oc1ccccc1)c1nnc(NC(=O)c2nc3ccccc3n(C)c2=O)s1 19715020 BHERUVNVTKWXET-GFCCVEGCSA-N 407.455 3.177 0 40 HGAB O=C(C[C@@H]1C(=O)N(Cc2ccccn2)c2nc3ccccc3n21)NCc1ccccc1 19817695 XZHDPLKALZBDOY-OAQYLSRUSA-N 411.465 3.226 0 40 HGAB COc1cccc(CCCNS(=O)(=O)c2ccc(N3CCCC3=O)c(C)c2)c1 20107828 RHPIFYUYWMMRQA-UHFFFAOYSA-N 402.516 3.042 0 40 HGAB COCCn1nnnc1[C@@H](c1ccc(C)cc1)N1CCN(c2cccc(C)c2C)CC1 20140233 QBIHITIMWCLEGF-HSZRJFAPSA-N 420.561 3.156 0 40 HGAB O=C1C[C@H](C(=O)Nc2cccc(C(=O)O)c2)n2ncc(-c3ccc(Cl)cc3)c2N1 20726296 WIJQYQYZJSVLHY-MRXNPFEDSA-N 410.817 3.424 0 40 HGAB CCN(c1cc(OC)c(OC)cc1C(=O)Nc1cc(F)ccc1F)S(C)(=O)=O 22252433 SNTNKYLETQXQFI-UHFFFAOYSA-N 414.430 3.020 0 40 HGAB CC[C@@H](NC(=O)CN(c1ccc(C)cc1)S(C)(=O)=O)c1ccc(OC)c(OC)c1 22328110 LQYFFHIIJPGZMO-GOSISDBHSA-N 420.531 3.046 0 40 HGAB Cc1ccc(CCCNC(=O)CN(c2ccc(OC(C)C)cc2)S(C)(=O)=O)cc1 22394437 RTEAKSMSBRWWTA-UHFFFAOYSA-N 418.559 3.297 0 40 HGAB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 32755131 OHNWCFHJLKVKJA-HUUCEWRRSA-N 405.486 3.050 0 40 HGAB Cc1cc(Cl)ccc1OCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 32848684 SDHSMFXXZAQEBP-UHFFFAOYSA-N 411.907 3.127 0 40 HGAB CCc1nc(S[C@@H](C(=O)NC(N)=O)C(C)C)nc(N)c1-c1ccc(Cl)cc1 32905965 UPXABHCCYDIWFQ-CQSZACIVSA-N 407.927 3.253 0 40 HGAB O=C1C[C@@H]2CS(=O)(=O)C[C@H]2N1c1nc2ccc(Oc3ccccc3)cc2s1 32912453 YGJMNRWXEAWKFR-MLGOLLRUSA-N 400.481 3.239 0 40 HGAB CC(=O)c1ccc(-n2nnnc2SCC(=O)Nc2nc(C(C)(C)C)cs2)cc1 35288813 LTAQWUZUJUNZBL-UHFFFAOYSA-N 416.532 3.350 0 40 HGAB Cc1cccc(NC(=O)C[S@](=O)CC(=O)NC23CC4CC(CC(C4)C2)C3)c1C 35313712 SHWZGIJAICMVSH-DLPCZPRVSA-N 402.560 3.076 0 40 HGAB Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)N[C@H](C)c1cc2ccccc2o1 36390901 XGAZSUAKAYVLNF-CYBMUJFWSA-N 405.458 3.001 0 40 HGAB CC[C@H](C)[C@@H](CO)NC(=O)[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(C)C 36579985 DQVCUIMSLAVQPE-QTGUNEKASA-N 410.558 3.483 0 40 HGAB COc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)cc1C(C)(C)C 36636398 UPINCSRXKVPFEV-UHFFFAOYSA-N 402.560 3.499 0 40 HGAB CCc1nn2c(nnc3c(=O)n(-c4nccs4)ccc32)c1-c1ccc(OC)cc1 38828529 ILUAMNLZFCECKE-UHFFFAOYSA-N 404.455 3.123 0 40 HGAB CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2nnc3ccccn23)c1 40088963 VMZCYKGIOJGTRT-UHFFFAOYSA-N 421.482 3.197 0 40 HGAB CN(c1ccccc1)c1ccc(C(=O)NCc2ccc(N3CCOCC3)nc2)cn1 40132325 ALCZBZFHZDPZHN-UHFFFAOYSA-N 403.486 3.011 0 40 HGAB CC(C)C(=O)Nc1nc(CC(=O)NCc2cccnc2OC2CCCC2)cs1 40142090 LYQAYHGLRDGYQW-UHFFFAOYSA-N 402.520 3.313 0 40 HGAB COc1ccccc1OCCNC(=O)Nc1cc(Cl)ccc1N1CCOCC1 43398288 CCMXKDLHWRLWPW-UHFFFAOYSA-N 405.882 3.386 0 40 HGAB Cc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccc(C)c(F)c4)ncn3n2)c(C)c1 51316996 WITQKAZFVLDJSC-UHFFFAOYSA-N 405.433 3.261 0 40 HGAB C[C@H](C(=O)Nc1ccc(Br)cc1)N1CCN(c2ccc(O)cc2)CC1 58158795 SPCYKQWQIFOEIU-CQSZACIVSA-N 404.308 3.304 0 40 HGAB CCC(CC)C(=O)N1CCC(NC(=O)Nc2cccc(N3CCOC3=O)c2)CC1 58161486 OGEDWJSVXKKXGC-UHFFFAOYSA-N 402.495 3.192 0 40 HGAB COc1cc(NC(=O)Cn2nnc(C(=O)Nc3c(C)cccc3C)c2C)cc(OC)c1 71327280 GCVILOZAHFHVNP-UHFFFAOYSA-N 423.473 3.112 0 40 HGAB CCCc1noc(-c2ccnc(-n3cnc(C(=O)NCc4ccc(OC)cc4)c3)c2)n1 71768439 GEEKGINKTAZCCZ-UHFFFAOYSA-N 418.457 3.208 0 40 HGAB COc1ccc(CN2CCC3(CC2)C[C@@]2(CO3)NC(=O)c3ccccc3N2)c(OC)c1 72325401 JESNFVYKSZVWQU-DEOSSOPVSA-N 423.513 3.011 0 40 HGAB Cc1ccc(OC[C@H](O)CNc2c(C)c(C)nc3cc(C4CCOCC4)nn23)cc1 72337416 PFCASNTTWNKKID-LJQANCHMSA-N 410.518 3.400 0 40 HGAB C[C@@H]1C[C@@H]1C(=O)N1CCC(c2nc3c(c(=O)[nH]2)CN(CC2CCCCC2)CC3)CC1 72398734 DJNQQKJQDPXHIO-APWZRJJASA-N 412.578 3.070 0 40 HGAB C[C@@H]1C[C@H](NC(=O)c2cccc(C(=O)N3CCCC3)n2)CCN1Cc1ccccc1 79025234 NORMPTKZHRTKHA-UYAOXDASSA-N 406.530 3.101 0 40 HGAB COc1ccc(Cl)cc1N1CC[C@@H](NC(=O)c2cccc(N3CCCC3=O)c2)C1 95397013 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CJFRLKYSXTXBMY-MRXNPFEDSA-N 424.950 3.307 0 40 HGAB Cc1ccc(N(CC(=O)NCCOc2ccc(C)c(Cl)c2)S(C)(=O)=O)cc1C 224129288 BNWFLBQMOZXESD-UHFFFAOYSA-N 424.950 3.226 0 40 HGAB CS(=O)(=O)N(CC(=O)Nc1ccc(N2CCCCC2)cc1)c1ccc(F)cc1 224947112 SCPAESKVUCKQHJ-UHFFFAOYSA-N 405.495 3.221 0 40 HGAB COCc1cccc(NS(=O)(=O)c2nnc(NC(=O)c3ccc(C)cc3)s2)c1 225188747 TVFPOYMFNNNLSC-UHFFFAOYSA-N 418.500 3.046 0 40 HGAB CCOc1ccc(CCCNC(=S)Nc2cccc(N(C)S(C)(=O)=O)c2)cc1 225622366 HIYLCZCVDOHHBU-UHFFFAOYSA-N 421.588 3.400 0 40 HGAB O=C(CSc1ccc(F)cc1)N1CCN(c2cc(C(F)(F)F)ncn2)CC1 225728360 IHTWYXZUUPEDQE-UHFFFAOYSA-N 400.401 3.075 0 40 HGAB COc1ccccc1Cc1cnc([C@H]2CCCN(S(=O)(=O)c3cccnc3)C2)o1 257314066 UVEHRRIIAXLLCY-KRWDZBQOSA-N 413.499 3.237 0 40 HGAB COCCCNC(=O)c1nc([C@@H]2CCCN2C(=O)c2ccccc2)n2ccccc12 306129464 IEBMBPBOXHHVPM-IBGZPJMESA-N 406.486 3.078 0 40 HGAB CCOCCCNC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(C)cc1 409113090 NKUUJGMJXDVTKM-UHFFFAOYSA-N 418.559 3.350 0 40 HGAB CCn1c(SCC(=O)NCc2ccccc2)nnc1[C@@H](C)NC(=O)c1ccccc1 409128829 IYJNCQONUKJBMH-MRXNPFEDSA-N 423.542 3.198 0 40 HGAB CCn1c(CNC(=O)c2ccccc2)nnc1SCC(=O)Nc1ccccc1C 409151303 BALLSXOTENGRTE-UHFFFAOYSA-N 409.515 3.267 0 40 HGAB O=C(COc1ccc(S(=O)(=O)NCc2ccccc2)cc1)Nc1ccc(F)cc1 409196888 ZVSSRFPAMSSNRP-UHFFFAOYSA-N 414.458 3.322 0 40 HGAB Cc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(=O)Nc1cccc(Cl)c1 409393771 XYFBQWNJQJVBCW-UHFFFAOYSA-N 408.907 3.450 0 40 HGAB C[C@]1(O)CN(C(=O)c2cccc(OCCN3CCCC3)c2)CC[C@@H]1Oc1ccccc1 585262221 GRKWYZOVVXNKTJ-ZCYQVOJMSA-N 424.541 3.206 0 40 HGAB CO[C@H]1CN(Cc2ccc(OCCN3CCCC3=O)cc2)C[C@@H]1Oc1cccc(C)c1 585268769 GSSZBHLLAJSNEK-ZEQRLZLVSA-N 424.541 3.274 0 40 HGAB O=C(NCc1nc(-c2ccncc2)no1)[C@@H]1CCCN(c2nc3ccccc3s2)C1 612170773 ZHPZVPNARFQYHB-OAHLLOKOSA-N 420.498 3.274 0 40 HGAB C[C@@H](C(=O)OCC(=O)Nc1ccc(Cl)c(Cl)c1)N1C(=O)c2ccccc2C1=O 941664 WERYBJPIOOJKEW-JTQLQIEISA-N 421.236 3.160 0 40 HGAB CCc1ccc(S(=O)(=O)N2CCC(C(=O)OCC(=O)c3ccccc3)CC2)cc1 1440224 QTXSVTPNVDLMSK-UHFFFAOYSA-N 415.511 3.076 0 40 HGAB CCCNC(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(Cl)cc1 2179170 MVBUHRILLYVCBL-UHFFFAOYSA-N 410.923 3.460 0 40 HGAB COc1cc2c(cc1OC)CN(CC(=O)Nc1cccc(Br)c1)CC2 2205533 DAVKHMBAIKBKOT-UHFFFAOYSA-N 405.292 3.463 0 40 HGAB O=C(N[C@@]1(C(F)(F)F)NC(=O)N(c2ccc(Cl)cc2)C1=O)c1ccc(F)cc1 2264382 PGADGGZNLZIIQO-MRXNPFEDSA-N 415.730 3.224 0 40 HGAB O=C(Cn1nc(O)c2ccccc2c1=O)NCCC(c1ccccc1)c1ccccc1 2623066 JUSHMTNNRHQASH-UHFFFAOYSA-N 413.477 3.441 0 40 HGAB O=C(CN1CCCc2ccccc21)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 3297525 SRQLLMYUFVSWLK-UHFFFAOYSA-N 413.543 3.253 0 40 HGAB CC(C)c1ccc(-n2c(SCC(=O)N3CCOCC3)nc3ccccc3c2=O)cc1 3314895 VAPIMLAJBXYUGP-UHFFFAOYSA-N 423.538 3.460 0 40 HGAB CC(C)(C)NC(=O)COC(=O)c1ccc2c(c1)C(=O)N(c1ccc(Cl)cc1)C2=O 3499320 FPJOTPVLVKYQFR-UHFFFAOYSA-N 414.845 3.212 0 40 HGAB COCCNC(=S)N(Cc1cc2ccc(OC)cc2[nH]c1=O)C1CCCCC1 4131480 SJESGHXZEGULBF-UHFFFAOYSA-N 403.548 3.192 0 40 HGAB CCc1nc2sc([C@H](c3cccc(C)c3)N3CCC4(CC3)OCCO4)c(O)n2n1 4584887 UEEQKIKYSPIFOC-KRWDZBQOSA-N 414.531 3.296 0 40 HGAB Cn1c(CNC(=O)c2ccccc2Cl)nnc1SCC(=O)Nc1ccccc1 4682393 GBVIIXBOJFEMRW-UHFFFAOYSA-N 415.906 3.129 0 40 HGAB CCc1cccc2c(C(=O)CN3C(=O)N[C@@](C)(c4ccc5c(c4)OCO5)C3=O)c[nH]c12 4787612 GCGNTFIXFWMZTP-QHCPKHFHSA-N 419.437 3.109 0 40 HGAB COc1ccc(CNC(=O)[C@H](OC(=O)c2ccc(Cl)nc2)c2ccccn2)cc1 4924249 MWGANAYRFZSIFO-LJQANCHMSA-N 411.845 3.353 0 40 HGAB CC(=O)C[C@@]1(O)C(=O)N(CCOc2ccccc2C)c2ccc(Br)cc21 4988118 RSPKVJNQXNTVIL-FQEVSTJZSA-N 418.287 3.350 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc(N(C)C)c3)CC2)cc1 5588967 NGQCKJUIWAFELE-UHFFFAOYSA-N 401.532 3.100 0 40 HGAB O=C(N[C@H]1CCSc2ccccc21)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 6589546 MBRWRHQZAIPSBQ-YOEHRIQHSA-N 410.495 3.164 0 40 HGAB O=C1CN(C(=O)COC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)c2ccccc2N1 6610661 XZSYIFKSIJQSQS-UHFFFAOYSA-N 403.438 3.189 0 40 HGAB C[C@@H](NC(=O)c1ccccc1)c1nc2ccccc2n1CC(=O)NC(=O)NC(C)(C)C 6648233 MYZJSLPAZBECLR-OAHLLOKOSA-N 421.501 3.152 0 40 HGAB C[C@@H](Oc1ccc2c3c(c(=O)oc2c1)CCCC3)C(=O)NC[C@@H](O)c1ccccc1 6660053 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COc1ccc([C@H]2N=C(NCc3ccc(Cl)cc3)Nc3nc(C)cc(=O)n32)cc1 9287538 MPHWTYNDTWOFAZ-IBGZPJMESA-N 409.877 3.332 0 40 HGAB COc1ccc(C)cc1NC(=O)CNC(=O)COC(=O)c1ccc2[nH]c(C)c(C)c2c1 9552326 FGGSUKAKEMJTEC-UHFFFAOYSA-N 423.469 3.013 0 40 HGAB Cc1cc(C)c(CNC(=O)c2cn(Cc3ccccc3)nc2-c2cccnc2)c(=O)[nH]1 10457736 ATMLVCBOPZRTJV-UHFFFAOYSA-N 413.481 3.229 0 40 HGAB CCC(=O)N1CCN(c2nc3sc4c(c3c(=O)n2CC(C)C)CCCC4)CC1 12321121 QQANAWCBTRQACX-UHFFFAOYSA-N 402.564 3.051 0 40 HGAB Cc1ccc(C)c(-n2cnnc2SC[C@@H](O)COCc2ccc3c(c2)OCO3)c1 12550740 WUOMOIYZZIQOFT-KRWDZBQOSA-N 413.499 3.283 0 40 HGAB Cc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)N2C[C@@H](C)O[C@H](C)C2)c1 12584017 BQBLZUDSKSCYMK-IAGOWNOFSA-N 402.516 3.354 0 40 HGAB Cc1ccc(SCCNC(=O)[C@H]2CS[C@@H](Cc3ccc(F)cc3)C(=O)N2)cc1 12796424 WAGPNPFTXBGNDC-MOPGFXCFSA-N 418.559 3.185 0 40 HGAB C[C@H](Sc1nnc(N)n1C1CC1)c1nc2sc3c(c2c(=O)[nH]1)CC[C@@H](C)C3 12919102 RPMZBICCKADFCX-BDAKNGLRSA-N 402.549 3.471 0 40 HGAB Cc1ccc(C(=O)Cn2nc(C)c(S(=O)(=O)N(C)Cc3ccco3)c2C)s1 12978144 OWDVGKSBQIQVTO-UHFFFAOYSA-N 407.517 3.166 0 40 HGAB CCN(CC(=O)Nc1cc(Cl)c(OC)cc1OC)C[C@H]1COc2ccccc2O1 12996272 WCEODEPYWZMYSY-AWEZNQCLSA-N 420.893 3.458 0 40 HGAB O=C(COc1ccc(Cl)cc1Br)N[C@@H](Cc1ccccc1)C(=O)O 13394429 GVYAIQGVYGZVGQ-AWEZNQCLSA-N 412.667 3.293 0 40 HGAB CC(C)COC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OCC(C)C)[C@H]1c1cccc(F)c1 13564498 MOBZJTQVGSXGLX-SRYPRDQNSA-N 422.493 3.264 0 40 HGAB O=C(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)Nc1ccccc1C(=O)NC1CCCCC1 13685155 TXFNLNQPFKACTR-HDICACEKSA-N 423.513 3.029 0 40 HGAB C[C@H](C(=O)NCC(F)(F)F)N(c1ccccc1)S(=O)(=O)c1ccc(F)cc1 16698936 DOPZZPQNSRSZQX-GFCCVEGCSA-N 404.385 3.088 0 40 HGAB COc1cc(CN2C[C@@H]3C[C@@H](O)CN3C[C@H]2Cc2ccccc2)ccc1OC(C)C 19450782 BWNXHDWLQWTTNZ-XPWALMASSA-N 410.558 3.345 0 40 HGAB CCc1c(C)sc2ncn([C@H]3CCCN(C(=O)c4cn(CC)nc4C)C3)c(=O)c12 19521817 NVWWNZNXFAMXFX-HNNXBMFYSA-N 413.547 3.331 0 40 HGAB CCOC(=O)[C@H]1C(=O)N(CCCOC)c2nc3ccccc3n2[C@@H]1c1cccc(C)c1 19818384 YPHMUBASGGCFLM-NHCUHLMSSA-N 421.497 3.497 0 40 HGAB 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410.264 3.170 0 40 HGAB CCOc1ccccc1NC(=O)CSc1nc2[nH]ncc2c(=O)n1-c1ccccc1 51316685 QPLMLNPMNFEQMS-UHFFFAOYSA-N 421.482 3.238 0 40 HGAB Cc1ccc(C)c(-c2cc3c(=O)n(CC(=O)Nc4ccccc4Cl)ncn3n2)c1 51317059 KOFOZWQHZYWZHU-UHFFFAOYSA-N 407.861 3.467 0 40 HGAB CCOC(=O)C1=C(CN(C)Cc2ccccc2)NC(=O)N[C@H]1c1ccc(OCC)cc1 57415465 QGQJEAGKNQMRNY-QFIPXVFZSA-N 423.513 3.388 0 40 HGAB COc1cccc(C2=CCN(CC(=O)NC[C@@H]3CCN(c4ccccc4)C3)CC2)c1 65613524 HNSKJICQOMCNDJ-FQEVSTJZSA-N 405.542 3.427 0 40 HGAB C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)N1CCN(c2cc(F)cc(F)c2)CC1 69570435 PJLDBPBEMHAASZ-FOIQADDNSA-N 401.457 3.115 0 40 HGAB COc1ccc(OC)c(NC(=O)Cn2nnc(C(=O)Nc3cccc(C)c3C)c2C)c1 71327435 MVTQKQWBHXKSOU-UHFFFAOYSA-N 423.473 3.112 0 40 HGAB CN1CC[C@]2(CCC1=O)C[C@H](NC(=O)c1ccc3c(c1)OCO3)c1ccccc1O2 72327752 VRPJOPBZRYVUOD-GAJHUEQPSA-N 408.454 3.050 0 40 HGAB COCc1ccc(OC)c(CN2CCC[C@@H](c3cc(=O)[nH]c(-c4cccnc4)n3)C2)c1 72352944 RSPVRODVYWDRDD-LJQANCHMSA-N 420.513 3.367 0 40 HGAB CC(C)n1c(CCNC(=O)CC2(Cn3cnnn3)CCCCC2)nc2ccccc21 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CSc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCc4ccccc43)CC2)cc1 219637338 DYJJWAVIIZBOHQ-UHFFFAOYSA-N 416.568 3.399 0 40 HGAB C[C@H](C(=O)N1CCC(Cc2ccccc2)CC1)N(c1cccc(F)c1)S(C)(=O)=O 220471902 XAYYUVOISRVMOG-QGZVFWFLSA-N 418.534 3.462 0 40 HGAB CC[C@@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)COc1ccccc1OC 222899785 MWQRJBAQEDJXRN-FQEVSTJZSA-N 412.530 3.449 0 40 HGAB C[C@@H](NC(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O)c1ccc2c(c1)CCCC2 222937271 QERFSEHRSGDNPB-CQSZACIVSA-N 422.497 3.487 0 40 HGAB CCCc1ccc(OCCNC(=O)c2ccc(N(C)S(=O)(=O)CC)cc2)cc1 224002007 USMPXSVDCHOYRR-UHFFFAOYSA-N 404.532 3.234 0 40 HGAB Cc1cc(C(=O)NC[C@H]2CCCO2)ccc1N(C)S(=O)(=O)c1ccc(Cl)cc1 224217073 ROEJYIGSOBVDPG-QGZVFWFLSA-N 422.934 3.382 0 40 HGAB COc1cc(OC)c(NC(=O)Nc2c(C)nc(N3CCOCC3)nc2C)cc1Cl 224305090 XVSWREYVSDKVDO-UHFFFAOYSA-N 421.885 3.245 0 40 HGAB CC[C@@H](C(=O)NCCOc1ccccc1C)N(c1ccc(Cl)cc1)S(C)(=O)=O 224306834 ZBURIZJFCYEVBQ-SFHVURJKSA-N 424.950 3.388 0 40 HGAB CC(C)[C@@H](C)NC(=O)CN(c1ccc(OCc2ccccc2)cc1)S(C)(=O)=O 225198308 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O=C1N(CC2CCOCC2)c2ccccc2S(=O)(=O)N1Cc1ccc(F)cc1 1888929340 LLKYJRXSAMHJLV-UHFFFAOYSA-N 404.463 3.383 0 40 HGAB O=C(N[C@H]1CCCc2ccccc21)C1CCN(c2c3c(nc4ncnn24)CCC3)CC1 1238083 VTDSYHMLOZZYLO-FQEVSTJZSA-N 416.529 3.023 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccccc3)C2)cc1Cl 1363511 PMASLUPEUGAOCU-KRWDZBQOSA-N 406.935 3.366 0 40 HGAB Cc1c(NC(=O)COc2cccc3c2OC(C)(C)C3)c(=O)n(-c2ccccc2)n1C 1428923 JISYWDDWTODOPY-UHFFFAOYSA-N 407.470 3.215 0 40 HGAB C[C@H](Sc1nc(-c2ccccc2)nc2c1COC(C)(C)C2)C(=O)N1CCOCC1 2349102 LDIMZXXJCUAZKH-HNNXBMFYSA-N 413.543 3.334 0 40 HGAB COC[C@H](C)n1c(C)cc(C(=O)CSc2nnc(-c3cccs3)n2N)c1C 2630838 CYKHDJSECNYYPD-LBPRGKRZSA-N 405.549 3.321 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(Cl)cc(Cl)c3)CC2)cc1 2639344 VSFXOBWQOGNJEM-UHFFFAOYSA-N 413.326 3.449 0 40 HGAB CC(C)(Oc1ccc(Cl)cc1)C(=O)OCC(=O)NCc1ccc2c(c1)OCO2 3219254 IIYRJDPXHLJXDA-UHFFFAOYSA-N 405.834 3.086 0 40 HGAB Cc1ccccc1-n1c(SCC(=O)N2C[C@@H](C)O[C@H](C)C2)nc2ccccc2c1=O 3237756 UTBWMXIKTCZLNL-IAGOWNOFSA-N 423.538 3.422 0 40 HGAB Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)NCc3ccc(Cl)cc3Cl)C2=O)cc1 3461054 GLIJZFYFYBSWTG-HXUWFJFHSA-N 420.296 3.385 0 40 HGAB CCOC(=O)[C@@H](CC)Sc1ccc2nnc(-c3ccc(OC)c(OC)c3)n2n1 4165194 DTPDZRKMGBWHTB-OAHLLOKOSA-N 402.476 3.242 0 40 HGAB COc1cccc(NC(=O)CSc2ncnc3c2nnn3-c2ccc(C)cc2)c1 4166627 CAQZGFZZNJJLHO-UHFFFAOYSA-N 406.471 3.258 0 40 HGAB COc1cc(C(=O)Nn2c(CC(C)C)nc3ccccc3c2=O)cc(OC)c1OC 4891121 ZAJNUXUVLGVLHA-UHFFFAOYSA-N 411.458 3.005 0 40 HGAB CN(C)C(=O)c1ccc(NC(=O)COC(=O)c2cc(Cl)cc(Cl)c2N)cc1 5033407 QIFZRSOTHJBUBF-UHFFFAOYSA-N 410.257 3.073 0 40 HGAB CN(C)CCn1c2c(c(SCC(=O)Nc3cccc4ccccc34)nc1=O)CCC2 5254195 BBXFFJOLZKWNMY-UHFFFAOYSA-N 422.554 3.178 0 40 HGAB Cc1ccc(NC(=O)C[C@@H](C)c2ccccc2)cc1S(=O)(=O)N1CCOCC1 5443733 FVLZFUSVGKLJNS-QGZVFWFLSA-N 402.516 3.148 0 40 HGAB COCCn1c(S[C@@H](C(=O)N2CCCC2)c2ccccc2)nc2ccccc2c1=O 5473084 FFCBUFALCPGCKG-HXUWFJFHSA-N 423.538 3.499 0 40 HGAB CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccncc2)n2nc(CCCO)nc2N1 6144740 OHSSPLAPRVSPOP-LJQANCHMSA-N 424.892 3.179 0 40 HGAB CCc1ccc(N2C[C@H](C(=O)OCC(=O)N[C@@H]3CCCc4ccccc43)CC2=O)cc1 6619736 BNRZLMPDRJISEF-DENIHFKCSA-N 420.509 3.339 0 40 HGAB Cc1c(O[C@@H](C)C(=O)NC[C@H](O)c2ccccc2)ccc2c3c(c(=O)oc12)CCC3 6658906 LNXDCMZZQZKINP-YWZLYKJASA-N 407.466 3.207 0 40 HGAB CC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)NCc2ccccc2)cc1Cl 7077219 OXNNMIUKRFTDQR-AWEZNQCLSA-N 410.923 3.112 0 40 HGAB CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)COc1cccc2c1OC(C)(C)C2 7810816 RBJUSXZCIHPXIM-UHFFFAOYSA-N 407.470 3.064 0 40 HGAB COCCNC(=O)c1nc(-c2ccc(Br)cc2)n(-c2ccccc2C)n1 8476569 KXADJPUMRBQSQE-UHFFFAOYSA-N 415.291 3.381 0 40 HGAB COc1ccc(CNC(=O)C(=O)NC[C@H](c2ccsc2)N2CCCCCC2)cc1 8893174 RJFRCHFWUDXRGF-HXUWFJFHSA-N 415.559 3.106 0 40 HGAB CC(C)CCN1C(=O)CCc2cc(NC(=O)CN3C(=O)c4ccccc4C3=O)ccc21 9164923 SPTMPVOYJNRLTH-UHFFFAOYSA-N 419.481 3.247 0 40 HGAB CCOC(=O)CCCNC(=O)CSc1nnc(Nc2ccccc2OCC)s1 9540210 YNGCZLHGPKYITJ-UHFFFAOYSA-N 424.548 3.232 0 40 HGAB O=C1CCC(C(=O)Nc2nnc(SCc3c(Cl)cccc3Cl)s2)=NN1 9714822 OEGOCUGDNHUOJA-UHFFFAOYSA-N 416.315 3.342 0 40 HGAB COc1ccc(NC(=O)NC(=O)COC(=O)Cc2coc3c(C)c(C)ccc23)cc1 9812938 JGMRTIHDXRBNER-UHFFFAOYSA-N 410.426 3.492 0 40 HGAB C[C@H]1CN(C(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)s3)cc2)CCO1 9854247 ZHHKZOQJCPIOIL-NSHDSACASA-N 400.909 3.063 0 40 HGAB C[C@@H](Sc1nnc(-c2cc3c(s2)CC[C@H](C(C)(C)C)C3)n1C)C(=O)NC(N)=O 9944402 RGMPSLVHFMCZRO-PWSUYJOCSA-N 421.592 3.370 0 40 HGAB Cc1cc(C(=O)NCc2ccc3c(c2)OCO3)ccc1NS(=O)(=O)c1ccccc1 10113017 JCYRVWPFRFJIJB-UHFFFAOYSA-N 424.478 3.455 0 40 HGAB COc1ccc(N2C(=O)C[C@H](N(C)Cc3ccc(SC)cc3)C2=O)c(OC)c1 10169789 YPODSXCCZXIPMW-SFHVURJKSA-N 400.500 3.190 0 40 HGAB O=C(CN1CCc2sccc2C1)Nc1cc(C(F)(F)F)ccc1-n1cncn1 10341625 MJRFWGWAOPURAP-UHFFFAOYSA-N 407.421 3.344 0 40 HGAB COc1ccc(-c2cn(-c3ccccc3)nc2C(=O)N2CCO[C@@H](C)C2)cc1OC 10670541 WMCXRGGLDYQWTO-INIZCTEOSA-N 407.470 3.417 0 40 HGAB Cc1cccc(OCC(=O)Nc2cc(-c3cccs3)nn2-c2nc(C)cc(=O)[nH]2)c1 11854433 KZEKYPAUSMEECS-UHFFFAOYSA-N 421.482 3.318 0 40 HGAB Cc1nccn1CCCC(=O)N1CCC[C@H](c2nc3ccccc3cc2C(N)=O)C1 12221684 DIGMIXHNZCEOIZ-SFHVURJKSA-N 405.502 3.025 0 40 HGAB Cc1ccccc1N1CCN(C(=O)CCC(=O)c2ccc3c(c2)OCCCO3)CC1 12576355 AYJUXWZCTMCFKJ-UHFFFAOYSA-N 408.498 3.468 0 40 HGAB Cc1cccc(C)c1NC(=O)CNC(=O)CCNC(=O)c1ccc(C(C)(C)C)cc1 12741674 RVGQMHRLBDDKRS-UHFFFAOYSA-N 409.530 3.476 0 40 HGAB CCN(CCCNC(=O)[C@@H](C)NC(=O)/C=C/c1ccc(OC)cc1)c1ccccc1 12769277 JKRQALCWNQOTFU-NRMGUKERSA-N 409.530 3.246 0 40 HGAB COC[C@@H](C)NC(=O)COC(=O)c1c(-c2ccccc2)csc1NC(=O)C1CC1 12821833 RAHVTFLUBUKHFM-CYBMUJFWSA-N 416.499 3.072 0 40 HGAB Cn1ncc2c(=O)n(CCC(=O)Nc3ccccc3Sc3ccccc3)cnc21 12822532 ZLXZLWAUQLHFIE-UHFFFAOYSA-N 405.483 3.310 0 40 HGAB CC[C@@H](C(=O)Nc1ccccc1)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C 12888055 QTKSBTXSEFWZJH-LPHOPBHVSA-N 408.502 3.099 0 40 HGAB CSc1cccc(NC(=O)[C@H](NC2=NS(=O)(=O)c3ccccc32)C(C)C)c1 12999822 FMWYSCJAFSFRNP-QGZVFWFLSA-N 403.529 3.110 0 40 HGAB Cc1ccccc1-c1ccc(N2CCN(S(=O)(=O)c3cccs3)CC2)nn1 13663859 HCEVRXRZRQTNOT-UHFFFAOYSA-N 400.529 3.024 0 40 HGAB COc1cc(OC)cc(OCC(=O)Nc2ccccc2C(=O)NCc2ccco2)c1 13684038 DBFOOCAWIYCLBV-UHFFFAOYSA-N 410.426 3.244 0 40 HGAB CCNC(=O)c1cc(S(=O)(=O)Nc2ccc(Br)cc2F)ccc1C 13843129 MJIKGQODKHDAMP-UHFFFAOYSA-N 415.284 3.447 0 40 HGAB O=c1c2cc(Br)ccc2ncn1C[C@H](O)COCc1ccccc1Cl 14187050 JMQKAAPLXBKGGA-AWEZNQCLSA-N 423.694 3.390 0 40 HGAB COc1ccc([C@H]2CCCCCN2S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)cc1 14250593 ORDWPMKVIRQFIM-LJQANCHMSA-N 416.499 3.332 0 40 HGAB COc1ccc(-c2csc(NC(=O)CS(=O)(=O)c3ccccc3)n2)cc1OC 16047995 ZZKPCMPUZPTUFZ-UHFFFAOYSA-N 418.496 3.240 0 40 HGAB COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)c1 16101154 OLIKFDVKNMSTGS-UHFFFAOYSA-N 418.254 3.367 0 40 HGAB CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)COCC(=O)O)c2C(=O)NC2CC2)C1 17093210 MPNZYJWSABOVKN-GFCCVEGCSA-N 422.547 3.221 0 40 HGAB COc1cc(/C=C\C(=O)NCCc2cc3ccc(C)cc3[nH]c2=O)cc(OC)c1OC 17122341 SEFSPLXLMNBZMQ-VURMDHGXSA-N 422.481 3.234 0 40 HGAB C[C@H]1CN(C(=O)c2ccc(NS(=O)(=O)/C=C/c3ccccc3)cc2)C[C@H](C)O1 17327939 PMSQVIUYSJFYBX-CPQFKCLQSA-N 400.500 3.349 0 40 HGAB NC(=O)[C@@]1(Cc2cccc(-c3ccccc3)c2)CN(C(=O)Cc2ccccc2)CCO1 19370268 IIJMWOPPLQFCFM-AREMUKBSSA-N 414.505 3.222 0 40 HGAB CCNC(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)CCCN(C(=O)[C@@H]2CCCO2)C1 19528473 PNUHHILIPQBDKG-DHLKQENFSA-N 421.541 3.215 0 40 HGAB CCN(C(=O)c1snnc1C)[C@@H]1CCO[C@H](c2ccc(C(=O)NC(C)C)cc2)C1 19712711 IESNLROBAMIWQP-MSOLQXFVSA-N 416.547 3.367 0 40 HGAB COc1ccc(CC(=O)N2CCCC[C@@H]2c2nc(C)ncc2C(=O)NC2CC2)cc1C 19767076 FYZRNVQWOZLOQZ-HXUWFJFHSA-N 422.529 3.291 0 40 HGAB O=C(CCC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)N1CCCC1 19831436 BPZSKQXCKBIASX-UHFFFAOYSA-N 405.542 3.323 0 40 HGAB O=C(c1cc(F)ccc1F)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 22633568 DTTTWTIDUQXMNH-UHFFFAOYSA-N 416.449 3.265 0 40 HGAB Cc1sc2nc(COC(=O)C[C@@H]3Sc4ccccc4NC3=O)[nH]c(=O)c2c1C 25054160 SVISZZJFAGERDT-ZDUSSCGKSA-N 415.496 3.148 0 40 HGAB Cc1cc(N2CCN(CCS(=O)(=O)c3ccc(Cl)cc3)CC2)nc(C(C)C)n1 27545349 OYSCTRGJVGLBEQ-UHFFFAOYSA-N 422.982 3.158 0 40 HGAB O=C(NCc1ccncc1)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl 30861936 GLGKFRVXAXUSLX-UHFFFAOYSA-N 401.875 3.466 0 40 HGAB Cc1ccc(NC(=O)c2cc(C)n(Cc3cccs3)c2C)cc1S(N)(=O)=O 32841647 GPJUCMCRNCQWSG-UHFFFAOYSA-N 403.529 3.423 0 40 HGAB Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)OCc1nc2ccccc2nc1C 32868742 BYQLNOVPSKEVNU-UHFFFAOYSA-N 411.483 3.044 0 40 HGAB COc1ccc([C@@H](c2sc3nc(C)nn3c2O)N2C[C@@H](C)O[C@H](C)C2)cc1OC 34705596 HPWZRYPYZLSORA-QFSBIZTOSA-N 418.519 3.021 0 40 HGAB CCN(CC(=O)Nc1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc(OC)cc1 39985382 GWGRQFDRGYAPLK-UHFFFAOYSA-N 416.421 3.363 0 40 HGAB CCN(CC(=O)N[C@@H](C)CCc1ccccc1)S(=O)(=O)c1cc(C)ccc1OC 39985914 RMLGGNXYBCUQRN-SFHVURJKSA-N 418.559 3.152 0 40 HGAB CN(C)S(=O)(=O)c1cc(NC(=O)NC2CC(C)(C)NC(C)(C)C2)ccc1Cl 40097297 SCVCVNCNZZFXFP-UHFFFAOYSA-N 416.975 3.021 0 40 HGAB CC(C)CS(=O)(=O)CC(=O)Nc1nc2ccc(OCC(F)(F)F)cc2s1 40133876 JIOYTZQOOMYMFU-UHFFFAOYSA-N 410.439 3.247 0 40 HGAB NC(=O)c1cn(CC(=O)NC[C@@H](c2cccc(Cl)c2)N2CCCC2)c2ccccc12 48285979 BWBXLELUHSBVTQ-NRFANRHFSA-N 424.932 3.347 0 40 HGAB O=C(CN1CCN(c2ccccc2Cl)CC1)NC[C@H]1CCN(c2ccccc2)C1 51184115 CKOZYXVAPRYDGT-LJQANCHMSA-N 412.965 3.105 0 40 HGAB CCn1c(CN[C@@H](C)c2ccccc2OC)nc2cc(S(=O)(=O)N(C)C)ccc21 57270673 VUQAVQMTTOEKSB-HNNXBMFYSA-N 416.547 3.166 0 40 HGAB Cc1nnnn1-c1ccccc1C(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 71279108 GAQNJYOAMFQTBX-UHFFFAOYSA-N 417.300 3.240 0 40 HGAB O=C(Nc1ccc([C@H]2OCC(=O)N(Cc3ccccc3)[C@@H]2CO)cc1)c1ccccc1 72321083 HQAPNRZBZRSJEF-ISKFKSNPSA-N 416.477 3.400 0 40 HGAB biogenic,in-vitro CCc1nnc(Nc2cc([C@H]3CCCN3C(=O)C3CCOCC3)nc(C)n2)s1 72360406 FVQLJVDHQBMDRF-OAHLLOKOSA-N 402.524 3.033 0 40 HGAB COC(=O)c1ccc(S(=O)(=O)N(CCc2cccs2)Cc2cccnc2)cc1 77200812 ZNNHOPLBRMLSFD-UHFFFAOYSA-N 416.524 3.363 0 40 HGAB CCOC(=O)c1cn([C@H](CO)C(C)C)c2cc(F)c(Br)cc2c1=O 77284870 WEVZXJJVJXHULG-OAHLLOKOSA-N 400.244 3.269 0 40 HGAB in-vitro CCOc1c(F)cccc1C(=O)N1CCN(CC(=O)Nc2ccc(Cl)cc2)CC1 89988777 SXYUJTDQDAMVTH-UHFFFAOYSA-N 419.884 3.274 0 40 HGAB Cn1nc(-c2ccccc2)nc1CCNC(=O)c1cc(F)ccc1Br 95453062 SNUNMKLTIFNEAK-UHFFFAOYSA-N 403.255 3.356 0 40 HGAB O=C(C[C@@H](Cn1cnnn1)c1ccc(Cl)cc1)NCCc1c[nH]c2ccccc12 95473869 AQOANZJAQVDXBP-KRWDZBQOSA-N 408.893 3.341 0 40 HGAB CCNC(=O)CN1CCCN(C(=O)c2ccc(Sc3ccc(Cl)cc3)o2)CC1 96012308 HXCWHQDBSOTOCR-UHFFFAOYSA-N 421.950 3.368 0 40 HGAB O=C(NCCn1nc(-c2cccs2)n(C2CC2)c1=O)c1nc2ccccc2s1 96096642 FYIWVYJGRRTBJO-UHFFFAOYSA-N 411.512 3.148 0 40 HGAB COc1ccc(S(=O)(=O)CCNC(=O)Cc2cn(C(C)C)c3ccccc23)cc1 96232517 XNDJPWNYBXZNLK-UHFFFAOYSA-N 414.527 3.363 0 40 HGAB CN(C)c1nc2cc(C(=O)NCCCO)sc2n1-c1ccc(Br)cc1 97477906 NBRVHPRWTVJBAD-UHFFFAOYSA-N 423.336 3.028 0 40 HGAB CCS(=O)(=O)N1C[C@@H](C(=O)NCc2cccc3ccccc23)Oc2ccccc21 222862301 DIIJGCULHRHHOY-NRFANRHFSA-N 410.495 3.073 0 40 HGAB COc1ccc(N(CC(=O)NC(C)(C)CC(C)(C)C)S(C)(=O)=O)cc1Cl 223685145 KFALZVVBSUIXSA-UHFFFAOYSA-N 404.960 3.446 0 40 HGAB COc1ccccc1OCC(=O)N(Cc1ccccc1F)[C@H](C)C(=O)NC(C)C 224645043 AWTJZSODCYLOGE-MRXNPFEDSA-N 402.466 3.155 0 40 HGAB CS(=O)(=O)N(CC(=O)Nc1ccc(OC(F)(F)F)cc1)c1ccc(F)c(F)c1 224870078 PZLVRPADKKNCLF-UHFFFAOYSA-N 424.347 3.268 0 40 HGAB CN(C)S(=O)(=O)N(C)c1ccc(C(=O)Nc2ccc(N3CCCCC3)cc2)cc1 224959913 CMDLDNSVQDGULF-UHFFFAOYSA-N 416.547 3.172 0 40 HGAB COc1cccc(OC)c1CNC(=O)[C@@H]1[C@@H]2CC[C@]3(CC(=O)c4ccccc4O3)[C@H]21 247902474 RDIRINWVFVEDCU-DMXXETEVSA-N 407.466 3.380 0 40 HGAB Cc1cnc(C(=O)N[C@H]2CCCC[C@@]23CN(Cc2ccc(C)s2)CCO3)cn1 306140206 UMYKQTRSKAHTMK-PZJWPPBQSA-N 400.548 3.099 0 40 HGAB CC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1C 408621020 KSTGSDPWJVYYLV-QGZVFWFLSA-N 416.543 3.430 0 40 HGAB CCN(CC)C(=O)CN(CCc1ccccc1)S(=O)(=O)c1cc(C)ccc1OC 408623304 PYTRZLAXPYQZBK-UHFFFAOYSA-N 418.559 3.105 0 40 HGAB CC(C)NC(=O)N1CC[C@@](C)(O)[C@@H](NC(=O)c2ccc(F)cc2)[C@@H]1c1cccs1 514288736 BEMHKSFJFMSXIJ-BBTUJRGHSA-N 419.522 3.302 0 40 HGAB biogenic,in-vitro Cn1cc(NS(=O)(=O)c2ccc(Cl)cc2Cl)cc(Br)c1=O 573640988 WVCTWGIJKASTSB-UHFFFAOYSA-N 412.092 3.255 0 40 HGAB COCc1cccc(-c2cnc3n2CCN(C(=O)c2ccc4c(c2)OCO4)CC3)c1 585111194 INECDYAEPLTNHI-UHFFFAOYSA-N 405.454 3.124 0 40 HGAB CC(=O)N[C@@]12CCN(C(C)=O)C[C@@H]1[C@@H](c1ccccc1)N(CCc1ccc(F)cc1)C2 585261347 JFYYHLWNXIQHOZ-UBFVSLLYSA-N 423.532 3.168 0 40 HGAB Cc1cccc(Nc2cc(C)nc([C@@H]3CCCCN3C(=O)/C=C/c3cnn(C)c3)n2)n1 585290304 ACOQCCLFARYEIK-VYENPZKTSA-N 417.517 3.733 0 40 HGAB CC[C@@H]1CN(C(=O)c2ccc(F)c(Cl)c2)[C@H](CO)[C@@H]1CN1CCC(F)(F)C1 1772595018 PVRICSAFFOOTJN-SUYBPPKGSA-N 404.860 3.279 0 40 HGAB COc1ccc(NC(=O)N2CCC3(CC2)CC(=O)N(CC2CC2)c2cc(C)nn23)cc1 1772596382 BSQSASFGXJSGLK-UHFFFAOYSA-N 423.517 3.370 0 40 HGAB CCOc1ccc2nc(N3CCN(c4cncc(-c5cnn(C)c5)n4)CC3)sc2c1 2298247527 DRWFQJDJRYCUCG-UHFFFAOYSA-N 421.530 3.212 0 40 HGAB CC[C@H](C(=O)Nc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1)c1ccccc1 691921 CVBPOAVYXGFBTK-ICSRJNTNSA-N 402.516 3.276 0 40 HGAB CCCCOC(=O)c1ccc(NC(=O)c2c(O)n3c4c(cccc4c2=O)CC3)cc1 2087765 GKLRJTHLBIOMDG-UHFFFAOYSA-N 406.438 3.472 0 40 HGAB biogenic CCOC(=O)[C@](O)(c1ccc(NC(=O)c2cccs2)c(OC)c1)C(F)(F)F 2272461 WKVXVRHXRWACBW-MRXNPFEDSA-N 403.378 3.322 0 40 HGAB CCOC(=O)c1cnc2nc(Sc3ncc(C(F)(F)F)cc3Cl)nn2c1N 2561385 GVYDUFJQJULAPP-UHFFFAOYSA-N 418.788 3.102 0 40 HGAB Cc1cccc(-n2nc3c(c2NC(=O)c2ccc4c(c2)OCO4)C[S@@](=O)C3)c1C 2724866 SMGZXEJLNCDYAE-LJAQVGFWSA-N 409.467 3.232 0 40 HGAB C[C@H](C(=O)OCC(=O)Nc1ccc2ccccc2c1)N1C(=O)c2ccccc2C1=O 3275984 RSZKATSKJOCVFN-CQSZACIVSA-N 402.406 3.006 0 40 HGAB COc1ccc(-n2c(S[C@H]3CCOC3=O)nc3ccccc3c2=O)cc1Cl 3294052 SUPVKMYHSHKWGT-INIZCTEOSA-N 402.859 3.455 0 40 HGAB COc1cc(C(=O)NCCc2cc3cc(C)c(C)cc3[nH]c2=O)cc(OC)c1OC 4032742 SZJWRDKEMASGCI-UHFFFAOYSA-N 410.470 3.143 0 40 HGAB CCn1ncc(C2=NO[C@H](C(=O)Nc3cnn(C45CC6CC(CC(C6)C4)C5)c3)C2)c1C 4101509 IASAUWNYRCHHKB-RWENRRORSA-N 422.533 3.465 0 40 HGAB COc1ccc(-n2nc3c(c2NC(=O)[C@@H](C)Oc2ccccc2)C[S@](=O)C3)cc1 4105769 AIPWHTPKIHUETD-IZPCHGGPSA-N 411.483 3.049 0 40 HGAB Cc1ccc2cc(CN(Cc3cccnc3)C(=S)NCCCN(C)C)c(=O)[nH]c2c1 4127134 NIMRKJSEOWIUIY-UHFFFAOYSA-N 423.586 3.060 0 40 HGAB COc1ccc2cc(CN(CCCO)C(=S)Nc3ccc(F)cc3)c(=O)[nH]c2c1 4133127 LQFPJJDMEMQCBY-UHFFFAOYSA-N 415.490 3.257 0 40 HGAB O=C(O[C@H]1CS(=O)(=O)C[C@@H]1Nc1ccc(Cl)cc1)c1ccc(Cl)cc1 4158937 DNHHVTUMAAJOKE-HOTGVXAUSA-N 400.283 3.428 0 40 HGAB CC(C)CCn1c(=O)c2c(nc3n2C[C@H](C)CN3c2cccc(Cl)c2)n(C)c1=O 4249458 DZCHSOBPXUMMSR-CQSZACIVSA-N 415.925 3.384 0 40 HGAB Cc1cccc(-n2c(=O)[nH]c3c(C(N)=O)nc(-c4ccc(C(F)(F)F)cc4)nc32)c1 4274088 CZJFIVCWJVGRBT-UHFFFAOYSA-N 413.359 3.202 0 40 HGAB COc1ccc([C@H]2C(C(=O)N3CCOCC3)=C(C)Nc3nc4ccccc4n32)cc1 4786677 LBDBDFYHZVCDTQ-NRFANRHFSA-N 404.470 3.193 0 40 HGAB CCOc1ccccc1-n1c(SCC(=O)N2CCCC2)nnc1-c1ccncc1 4853997 CVUQOMKDDWGFFQ-UHFFFAOYSA-N 409.515 3.443 0 40 HGAB COc1cc(OC)cc(OCC(=O)Nc2ccc(I)cc2)c1 5497059 IWLCJALPWITJFM-UHFFFAOYSA-N 413.211 3.326 0 40 HGAB CCCC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1nc2ccccc2c(=O)[nH]1 5625346 SKWYUWDXKICXBA-UHFFFAOYSA-N 409.486 3.312 0 40 HGAB CCN(CC(=O)NCc1ccc(F)cc1)C(=O)CSc1ncnc2sccc12 6115376 AESSDDVWSAGGEC-UHFFFAOYSA-N 418.519 3.087 0 40 HGAB C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3nc4ccccc4[nH]3)cc2)C1 6153682 CHOCVVHZIWSERO-GJZGRUSLSA-N 412.515 3.482 0 40 HGAB Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)on3)cc2)c1 6858615 ARMZWJZGWOHBIP-HNNXBMFYSA-N 415.471 3.498 0 40 HGAB COc1ccc(-c2n[nH]c(S[C@@H](C(=O)N3CCOCC3)c3ccccc3)n2)cc1 7188773 LKSRWWDCXNLYGM-GOSISDBHSA-N 410.499 3.173 0 40 HGAB Cc1nnc(SCC(=O)Nc2ccccc2C(=O)NCc2ccco2)n1C1CC1 7533837 DYRGZPQUTRKYFN-UHFFFAOYSA-N 411.487 3.175 0 40 HGAB COc1cccc2c1OC1(CCN(C(C)=O)CC1)N1N=C(c3cccc(O)c3)C[C@@H]21 7596802 OSFSJCOAKXZNJY-FQEVSTJZSA-N 407.470 3.283 0 40 HGAB COC(=O)c1ccc2c(=O)[nH]c(COC(=O)c3cccc(C(F)(F)F)c3)nc2c1 7987767 ASFLLTVDMYHDKP-UHFFFAOYSA-N 406.316 3.086 0 40 HGAB CCN(CC(=O)NCc1cccs1)C(=O)/C=C/c1cc(Cl)c2c(c1)OCCO2 7989202 MMTZUXWRXVSRMN-AATRIKPKSA-N 420.918 3.351 0 40 HGAB COc1ccc([C@H](CNC(=O)N2CCN(c3ccccc3O)CC2)N2CCCC2)cc1 8160286 DLWJYTBHZSUCGK-QFIPXVFZSA-N 424.545 3.070 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)Cc1c(C)noc1C 8395336 ZRUUSAPVLWTKTM-UHFFFAOYSA-N 421.519 3.046 0 40 HGAB CC(=O)Nc1ccc(N2C(=O)C/C(=C3/C(=O)N(C(C)C)c4ccccc43)C2=O)cc1 8990753 AFMYOYJOWHEQCT-UZYVYHOESA-N 403.438 3.117 0 40 HGAB CN1C[C@@]2(Cc3c1ccc1ccccc31)C(=O)NC(=O)N(CCc1ccccc1)C2=O 9089946 QKNBNSGPPUMIPU-VWLOTQADSA-N 413.477 3.140 0 40 HGAB Cc1cccc(N2CCn3c2nc2c3c(=O)n(Cc3cccc(Cl)c3)c(=O)n2C)c1 9406712 NSVSQUSTAAGUAQ-UHFFFAOYSA-N 421.888 3.059 0 40 HGAB O=C(CCS(=O)(=O)Cc1ccccc1)Nc1nc2cc3c(cc2s1)OCCO3 10621099 YJPAJIQMXWMZHD-UHFFFAOYSA-N 418.496 3.011 0 40 HGAB CCOC(=O)c1oc2ccccc2c1COC(=O)CCn1c(=O)n(C)c2ccccc21 11962718 NMQVPURPDKAVFL-UHFFFAOYSA-N 422.437 3.396 0 40 HGAB Cc1ccc2c(c1)C(=O)C[C@@H]([C@@H]1CCCN(C(=O)c3cc(-c4cnn(C)c4)on3)C1)O2 12237131 BZUBXCWZJVNMSE-VFNWGFHPSA-N 420.469 3.270 0 40 HGAB CCc1c(C)n(CC(=O)c2ccc(OC)c(OC)c2)c2nc3ccccc3n2c1=O 12324033 UDPQIRSVNOFBOW-UHFFFAOYSA-N 405.454 3.420 0 40 HGAB Cc1nc2ncnn2c(C)c1CCC(=O)Nc1ccc2c(c1)nc1n2CCCCC1 12547163 HNNUIWXNNNXJBM-UHFFFAOYSA-N 403.490 3.389 0 40 HGAB O=C(C[C@H]1Sc2ccc(Cl)cc2NC1=O)Nc1ccc(N2CCOCC2)cn1 12770322 GPBRLGSAWHWXQG-MRXNPFEDSA-N 418.906 3.013 0 40 HGAB Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1 12809526 PIIYAFAXOMNAFO-QGZVFWFLSA-N 413.905 3.060 0 40 HGAB COc1cc(OC)c(NC(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)cc1Cl 13017024 KBNVICSTFQTFEJ-UHFFFAOYSA-N 410.879 3.050 0 40 HGAB CC1CCN(C(=O)[C@H](C)Sc2nnc(-c3ccccc3Br)n2N)CC1 13114950 XNTTYXHUOTWXIG-LBPRGKRZSA-N 424.368 3.161 0 40 HGAB CO[C@@H]1CCC[C@H](C(=O)N2CCC(c3nnc(O)cc3-c3cc(C)no3)CC2)C1 13226266 GDCIHGKEWGNSBC-JKSUJKDBSA-N 400.479 3.057 0 40 HGAB Cc1c(C(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)oc2ccc(F)cc12 14160570 QWKJTHBAYQUQOM-UHFFFAOYSA-N 413.424 3.416 0 40 HGAB CCCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)cc1 14665206 CHCYVTRIGTZFTA-MRXNPFEDSA-N 424.453 3.016 0 40 HGAB C[C@H]1CS(=O)(=O)N(c2ccc(C(=O)Nc3cccc(Br)c3)cc2)C1=O 15843041 FNQSRSZPYOLIRR-NSHDSACASA-N 423.288 3.014 0 40 HGAB C[C@@H](NC(=O)Nc1cccc(C(F)(F)F)c1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O 16322278 QYGCMQGAKLYZEY-WBMJQRKESA-N 423.391 3.028 0 40 HGAB COc1cc(C(=O)N(C)Cc2ccc3c(c2)OCO3)cc(OC)c1Br 16502260 LFIDSCBCVPMTHH-UHFFFAOYSA-N 408.248 3.467 0 40 HGAB CS(=O)(=O)c1ccc(Nc2nc(CC(=O)NCc3ccc(F)cc3)cs2)cc1 16850376 HGZOVQCOUIBREV-UHFFFAOYSA-N 419.503 3.288 0 40 HGAB CCCn1nnnc1NC(=S)NC(=O)c1cccc2c(Br)cccc12 17091763 ZLJAAYXCQRYHTM-UHFFFAOYSA-N 419.308 3.126 0 40 HGAB O=C1C[C@@H](C(=O)N2CCC[C@]3(CCC(=O)N3)[C@H]2c2ccc(F)cc2)c2ccccc2N1 19374876 VUWKEILZYWKZOP-XANCMCCPSA-N 421.472 3.264 0 40 HGAB CCN1CCN(C(=O)Cn2cccn2)C[C@H](Cc2ccccc2-c2ccccc2)C1=O 19527645 RQGKCEOCERTNTO-QFIPXVFZSA-N 416.525 3.100 0 40 HGAB COc1ccccc1-c1cc(NS(=O)(=O)c2cn(CC(C)C)nc2C)n(C)n1 19552261 POFSNKVPXCBJEJ-UHFFFAOYSA-N 403.508 3.057 0 40 HGAB Cc1ccc(NC(=O)[C@@H]2OCCc3ccccc32)cc1S(=O)(=O)N1CCCC1 19661078 JODRSPLCHDDMAW-HXUWFJFHSA-N 400.500 3.032 0 40 HGAB Cc1ncc(C(N)=O)c(CC2CCN(C(=O)C3(c4cccc(F)c4)CCCC3)CC2)n1 19756747 FXAQDCRRMPHVHE-UHFFFAOYSA-N 424.520 3.316 0 40 HGAB Cc1cccc(NC(=O)C(=O)NC[C@@H](c2ccco2)N2CCc3ccccc3C2)c1 22907416 RAGJGWAXYSPOSM-NRFANRHFSA-N 403.482 3.442 0 40 HGAB C[C@H](NC(=O)CN1C(=O)N[C@@]2(CCCC[C@H]2C)C1=O)c1ccc(C(F)(F)F)cc1 23150318 YWHWNNNXTGWVEF-QHRIQVFBSA-N 411.424 3.383 0 40 HGAB COc1cc(C(C)=O)ccc1OCC(=O)NC[C@@H](C(C)C)N1CCc2ccccc2C1 25534951 KIDJPEQIOOBKOY-QFIPXVFZSA-N 424.541 3.476 0 40 HGAB C[C@H](NC(=O)Cn1c(CS(C)(=O)=O)nc2ccccc21)c1cc2ccccc2o1 27134250 YSTAKSWXKBFWRN-AWEZNQCLSA-N 411.483 3.205 0 40 HGAB CCCCC[C@H](C)NC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1CC 29432385 UZBIALWZJNFCPU-INIZCTEOSA-N 422.595 3.324 0 40 HGAB C[C@@H](NC(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1)c1ccc(Br)cc1 31602106 UCBHEDVYBARWMZ-HIFRSBDPSA-N 402.292 3.070 0 40 HGAB COC(=O)c1cccc(NC(=O)c2nn(C)c3c2Cc2cc(OC)c(OC)cc2-3)c1 32092906 VOIXAVVWWWSMEN-UHFFFAOYSA-N 407.426 3.047 0 40 HGAB O=C(Nc1ccc(-n2cncn2)nc1)c1cnn(-c2ccccc2F)c1-n1cccc1 32462406 GCRFMFRKNRUEPI-UHFFFAOYSA-N 414.404 3.030 0 40 HGAB COc1cc(I)c(Cl)cc1C(=O)N1C[C@H](C)O[C@H](C)C1 32815598 VYLGSCWUQDGHSM-DTORHVGOSA-N 409.651 3.203 0 40 HGAB CC(=O)N1C[C@H](C(=O)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)Oc2ccccc21 32892915 SRMJNBBGPIPRCY-HRAATJIYSA-N 404.470 3.083 0 40 HGAB CC(C)(C)c1ccc(/C=C/C(=O)N(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)cc1 32909309 BDQDXQOSLMNANK-RHYMJRRZSA-N 405.560 3.192 0 40 HGAB CCOc1ccc(-c2nc(-c3ccccc3OCC(=O)N3CCOCC3)no2)cc1 33325127 ZHYGWWMRXOKMFY-UHFFFAOYSA-N 409.442 3.040 0 40 HGAB Cc1nn2cnnc2c(C)c1CCC(=O)N[C@H](CN1CCCCC1)c1ccccc1 36752679 DKGBXUQEHJDOMY-OAQYLSRUSA-N 406.534 3.017 0 40 HGAB CCN(CC(=O)Nc1cccc(Br)c1)S(=O)(=O)c1ccc(F)cc1 39985570 VCNQTFSONANLEI-UHFFFAOYSA-N 415.284 3.238 0 40 HGAB Cc1nn(C)c2[nH]c(=O)c(CCC(=O)N[C@H](c3ccccc3)c3ccccn3)c(C)c12 40086795 BGBKLWWTBCXDTI-JOCHJYFZSA-N 415.497 3.112 0 40 HGAB C[C@@H]1CCCN(Cc2ccccc2CNC(=O)c2ccc3c(c2)C(=O)N(C)C3=O)C1 40112274 GRFSGJWVEWJYIT-MRXNPFEDSA-N 405.498 3.074 0 40 HGAB CN(C)C(=O)[C@H]1CN(C(=O)c2ccc(COc3ccccc3F)o2)c2ccccc2O1 40131881 FYDOMXDVLAZWJV-OAQYLSRUSA-N 424.428 3.494 0 40 HGAB CCCS(=O)(=O)N1CCC[C@H](C(=O)N[C@@H](c2ccccc2)c2ccc(F)cc2)C1 40132978 YPAUWXGHTAPXTK-FPOVZHCZSA-N 418.534 3.483 0 40 HGAB O=C(c1cnc(OCC(F)(F)F)c(Cl)c1)N1CCN(c2nccs2)CC1 47798823 SGHCJTORIFSZJD-UHFFFAOYSA-N 406.817 3.095 0 40 HGAB CCCS(=O)(=O)[C@@H](C)C(=O)N1CCc2[nH]c3c(Br)cccc3c2C1 55731322 FZKQFBUHBQYFJZ-NSHDSACASA-N 413.337 3.028 0 40 HGAB CC1CCN(S(=O)(=O)NC2CCN(Cc3cccc(C(F)(F)F)c3)CC2)CC1 56124631 SBZZAGZVPPPROX-UHFFFAOYSA-N 419.513 3.236 0 40 HGAB COc1ccc(C2(CNC(=O)c3cc(C)nc4c3c(C)nn4C)CCOCC2)cc1 56452254 ZMRMWGQRFQVPDU-UHFFFAOYSA-N 408.502 3.072 0 40 HGAB CCC(CC)C(=O)N1CCC(NC(=O)Nc2cc3c(cc2Cl)NC(=O)CO3)CC1 58066966 OSNWGMFHLMPCAR-UHFFFAOYSA-N 422.913 3.220 0 40 HGAB O=C(NCC(=O)N1CCCC1)c1ccccc1Sc1ccc(Br)cn1 58074889 DHJGTMCJYKTZSX-UHFFFAOYSA-N 420.332 3.348 0 40 HGAB CCS(=O)(=O)c1ccccc1C(=O)NC1CCN(Cc2ccccc2F)CC1 59898777 OPHYGVZQPJTIFU-UHFFFAOYSA-N 404.507 3.014 0 40 HGAB CCOc1cc(/C=C/C(=O)NCCCC(=O)OC)cc(Br)c1OCC 62715256 MMRPJDXSBPLLST-CMDGGOBGSA-N 414.296 3.329 0 40 HGAB COc1ccc(Cl)cc1NC(=O)[C@@H]1CCN(S(C)(=O)=O)c2cc(C)ccc2O1 64988567 FPLFETZLRRBHNH-SFHVURJKSA-N 424.906 3.213 0 40 HGAB Cn1ccnc1[C@@H](O)c1cccc(F)c1N1CCN(Cc2cc(F)ccc2F)CC1 72340594 YNHRSULVFBARFL-NRFANRHFSA-N 416.447 3.241 0 40 HGAB O=C(c1sc2ccccc2c1[C@@H]1CN(Cc2cccnc2)CCO1)N1CCOCC1 72354986 WGZXHIPBMPMERX-IBGZPJMESA-N 423.538 3.342 0 40 HGAB COc1cccc(CCC(=O)N2CCC[C@@H](c3nc(C)ncc3-c3noc(C)n3)C2)c1 72356440 VDIFNHHCFBVLRU-GOSISDBHSA-N 421.501 3.491 0 40 HGAB COc1ccc(CN2CCC[C@@H](c3ncc(Cl)cc3S(C)(=O)=O)C2)cc1CO 72394296 BFCPGERGOXNERN-OAHLLOKOSA-N 424.950 3.019 0 40 HGAB O=C(c1ccc(N2CCCC2)nn1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 77099880 QCWCBHGXSBAZGT-UHFFFAOYSA-N 405.424 3.058 0 40 HGAB COc1ccc(NC(=O)c2cnn3c2NC(C(=O)O)=C[C@@H]3c2ccc(F)cc2)cc1 102820667 ZOYDOHVKDYCSRG-GOSISDBHSA-N 408.389 3.267 0 40 HGAB CCCCOCCOCCO[C@@H]1[C@H]2C[C@@H]3[C@@H]1[C@]3(OCCOCCOCCCC)C2 104205565 BEKMSUFDXFEFDV-BFRACDOUSA-N 414.583 3.463 0 40 HGAB COc1ccc(N2C[C@H](C(=O)NCc3cncc(-c4ccsc4)c3)CC2=O)cc1 206944618 XZWZZFFISRUDBW-GOSISDBHSA-N 407.495 3.488 0 40 HGAB CC[C@@H](C(=O)NCCCc1ccc(OC)cc1)N(c1ccc(C)cc1)S(C)(=O)=O 219097402 KITLTEOQWFOPEI-NRFANRHFSA-N 418.559 3.297 0 40 HGAB CC[C@@H](C(=O)NCCSc1ccccc1)N(c1ccccc1F)S(C)(=O)=O 220588747 MKUWMGKUKNVUPH-KRWDZBQOSA-N 410.536 3.279 0 40 HGAB C[C@@H](C(=O)NCCCO)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1 222841445 RYYUHDYZUKVTIB-KRWDZBQOSA-N 402.922 3.189 0 40 HGAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1-n1cnnc1 223336074 OICLSZPHKRETLD-PMACEKPBSA-N 419.514 3.169 0 40 HGAB COc1ccc(-c2noc(CNS(=O)(=O)Cc3cccc(Cl)c3)n2)cc1OC 223628664 XOBUQODZCNMXNB-UHFFFAOYSA-N 423.878 3.027 0 40 HGAB C[C@@H](C(=O)NCc1cccc(C(F)(F)F)c1)N(c1ccccc1)S(C)(=O)=O 223714333 KBYKWGMIJWRUAY-ZDUSSCGKSA-N 400.422 3.176 0 40 HGAB COC(=O)c1cc(S(=O)(=O)N[C@@H]2CC(C)(C)Oc3cc(OC)ccc32)ccc1C 223930948 NAQPGMNOEBHQAM-GOSISDBHSA-N 419.499 3.371 0 40 HGAB O=C(NCC1=CCCCC1)[C@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1 223994220 AWVIVQPXFHCWAS-OAQYLSRUSA-N 412.511 3.260 0 40 HGAB Cc1cc(C)cc(OCCNC(=O)CN(c2ccc(C)c(Cl)c2)S(C)(=O)=O)c1 224064750 QJAYFAVZTCMZPC-UHFFFAOYSA-N 424.950 3.226 0 40 HGAB CCc1ccc(OCCNC(=O)CCCN(c2ccc(F)cc2)S(C)(=O)=O)cc1 224148608 YWWSQDIJFBTGHM-UHFFFAOYSA-N 422.522 3.130 0 40 HGAB CN(CCCC(=O)Nc1ccc(N2CCCC2)cc1)S(=O)(=O)c1ccccc1 224928152 IRDXZKBJYXJDIW-UHFFFAOYSA-N 401.532 3.326 0 40 HGAB Cc1cccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3cc(C)ccc3C)C2)c1 225919985 JXNBGZBYDVTROB-HXUWFJFHSA-N 400.544 3.329 0 40 HGAB O=C(NCc1nnc2ccc(-c3cccs3)nn12)C1(c2ccccc2)CCOCC1 238814195 BAZNVOXKLNXBKQ-UHFFFAOYSA-N 419.510 3.217 0 40 HGAB O=C1[C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@H]2C(=O)N1c1ccc2ccccc2c1 247714417 MKPIBSLBSTYPPT-BOCITWAFSA-N 423.472 3.271 0 40 HGAB Cc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(=O)Nc1ccc(F)cc1F 408529571 ILJCGVWTCAZGJK-UHFFFAOYSA-N 410.442 3.075 0 40 HGAB CN(Cc1ccc(OCC(=O)Nc2ccc(C(F)(F)F)cc2)cc1)S(C)(=O)=O 408705359 CZDQBIVVFBGMNW-UHFFFAOYSA-N 416.421 3.114 0 40 HGAB CCCN(CCC)C(=O)CN1C(=O)S/C(=C\c2cc(OC)ccc2OC)C1=O 409209318 IXDKPIQHSRVXOC-ATVHPVEESA-N 406.504 3.389 0 40 HGAB O=C(NCc1ccc(Oc2ccccc2F)c(F)c1)N1CCC(OCCO)CC1 535311000 NGTRLUGAXURGRO-UHFFFAOYSA-N 406.429 3.440 0 40 HGAB Cc1cccc(C(=O)N2Cc3ccnn3[C@H](CC(=O)N3CCC(F)(F)CC3)C2)c1 585096072 ZDWLWAGZLMGUTK-GOSISDBHSA-N 402.445 3.036 0 40 HGAB COc1cc(NC2CCN(C(=O)[C@@H]3Cc4ccccc4N3C(C)=O)CC2)cc(OC)c1 674335548 QTJCTYMKVIYEGG-QHCPKHFHSA-N 423.513 3.085 0 40 HGAB NC(=O)c1ccccc1Oc1ccc(NC(=O)N[C@@H](C2CC2)[C@@H](CO)C2CC2)cc1 1669172991 XQRQULAZANRILP-FPOVZHCZSA-N 409.486 3.496 0 40 HGAB Cc1cc(C)n(-c2ccc(N3CCN(c4ccc(C(F)(F)F)cn4)CC3)nn2)n1 1889149001 SJLVYJJLJFDVLH-UHFFFAOYSA-N 403.412 3.020 0 40 HGAB O=C(O)c1ccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)OCC(F)(F)C(F)F)cc1 969111 WXCHDETYVQEOEU-OLZOCXBDSA-N 403.328 3.349 0 40 HGAB CSCC[C@H](NC(=O)Cc1c(C)c2cc3c(C)coc3c(C)c2oc1=O)C(=O)O 2104045 YXQDULPBLCWXOM-INIZCTEOSA-N 417.483 3.329 0 40 HGAB biogenic NC(=O)c1ccc(NC(=O)COC(=O)C2c3ccccc3Oc3ccccc32)cc1 2655451 RVERYGRHKZOXHN-UHFFFAOYSA-N 402.406 3.205 0 40 HGAB COc1cccc(C(=O)Nc2c3c(nn2-c2ccc(C)cc2)C[S@](=O)C3)c1OC 2725067 WGPUEUCSVMXMRN-LJAQVGFWSA-N 411.483 3.213 0 40 HGAB Cc1ccsc1/C=C1\NC(=S)N(c2c(C)n(C)n(-c3ccccc3)c2=O)C1=O 3273278 ATGBAJNQFDEKIK-PTNGSMBKSA-N 410.524 3.117 0 40 HGAB COc1ccc(C(=O)OCc2cc(C)ccc2C)cc1S(=O)(=O)N1CCCC1 3478689 BSHIPRRRFGXLAI-UHFFFAOYSA-N 403.500 3.454 0 40 HGAB COc1ccc(CNC(=O)Cc2c(C)c3c(OC)cc(C)cc3oc2=O)c(OC)c1 4089762 JRMYSOHZSBMVEU-UHFFFAOYSA-N 411.454 3.295 0 40 HGAB biogenic CCc1cc2ccccc2nc1SCC(=O)N1CCN(C(=O)c2ccco2)CC1 4093498 NJYSCYPHBCFURR-UHFFFAOYSA-N 409.511 3.467 0 40 HGAB Cc1ccc(S(=O)(=O)N(CCCO)Cc2cc3c(C)cc(C)cc3[nH]c2=O)cc1 4161914 JJQUODNGFZOEGU-UHFFFAOYSA-N 414.527 3.027 0 40 HGAB COC(=O)C1=C(CSc2nnc(C)s2)NC(=O)N[C@H]1c1ccc(C)cc1C 4436504 YPNDRTZQMAXRFB-HNNXBMFYSA-N 404.517 3.037 0 40 HGAB COCCNc1nnc(SCC(=O)Nc2ccc(N3CCCCC3)cc2)s1 4503759 IBXDWSQDKMNHPG-UHFFFAOYSA-N 407.565 3.318 0 40 HGAB CCc1ccccc1N1CCN(S(=O)(=O)C[C@]23CC[C@H](CC2=O)C3(C)C)CC1 4661336 DWKVGZBHYAUYAJ-XMSQKQJNSA-N 404.576 3.096 0 40 HGAB COC(=O)c1ccc(CNC(=O)COC(=O)C2(c3ccc(F)cc3)CCCC2)cc1 5416652 LUZVUJRPERQNRA-UHFFFAOYSA-N 413.445 3.284 0 40 HGAB CC(C)CCNC(=O)COc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1 6306689 ROUVEFBICNVYER-UHFFFAOYSA-N 404.532 3.048 0 40 HGAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2ccc(NC(C)=O)cc2)c1C 6348063 KCMAIWZPZWGPTI-CYBMUJFWSA-N 400.431 3.195 0 40 HGAB CN(C)CCNC(=O)[C@H]1CS[C@@H](c2ccc(Cl)cc2)N1C(=O)OC(C)(C)C 6363857 BDCTYTCNIRVWSR-WBVHZDCISA-N 413.971 3.369 0 40 HGAB CCOC(=O)c1ccccc1NC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 6375254 RBMSLSXMXJAQNA-UHFFFAOYSA-N 416.499 3.290 0 40 HGAB CCc1ccc2nc(NC(=O)c3cccc(S(=O)(=O)N(C)OC)c3)sc2c1 6550820 LDTKFAMQKWCZIK-UHFFFAOYSA-N 405.501 3.293 0 40 HGAB O=C(NCc1cccc(C(F)(F)F)c1)c1cccc(S(=O)(=O)N2CCCC2)c1 6647321 QNAHUAHEDTXAQV-UHFFFAOYSA-N 412.433 3.420 0 40 HGAB O=c1oc2c3c(c(Cl)cc2c2c1CCCC2)OCN(CCCN1CCOCC1)C3 6755908 ZJVUYTZNVLMYNC-UHFFFAOYSA-N 418.921 3.199 0 40 HGAB CCn1c(=S)sc2c(=O)n(CC(=O)Nc3cccc(C(C)=O)c3)c(C)nc21 6757311 ATHMAKKWPOXULV-UHFFFAOYSA-N 402.501 3.159 0 40 HGAB C[C@@H]1CCc2sc3c(c2C1)c(=O)n(CC(=O)O)c(=O)n3Cc1ccc(Cl)cc1 6759971 JOKCJOVFKLPGGN-LLVKDONJSA-N 418.902 3.136 0 40 HGAB O=C(CN1CC[C@@]2(O)CCCC[C@@H]2[C@@H]1c1ccc2c(c1)OCO2)NCc1ccccc1 6927386 OAPSQBRBZODEOZ-YNJKOYDBSA-N 422.525 3.400 0 40 HGAB biogenic Cc1c(Cl)cccc1NC(=O)COC(=O)[C@H]1CC(=O)N(c2ccccc2F)C1 7295787 WVNUXJKLWNWPST-ZDUSSCGKSA-N 404.825 3.322 0 40 HGAB CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCC(C)C)c(C)c2)cc1 7362001 AJSHWYLXVBURGR-UHFFFAOYSA-N 420.531 3.346 0 40 HGAB CCc1ccccc1NC(=O)CNC(=O)Cn1c(C(F)(F)F)nc2ccccc21 7775571 PITSLWZWNXCPKT-UHFFFAOYSA-N 404.392 3.372 0 40 HGAB COc1cn(-c2ccccc2)nc1C(=O)N1CCC(C(=O)N2CCCCCC2)CC1 8324295 GWAXSWPMLKYGQR-UHFFFAOYSA-N 410.518 3.136 0 40 HGAB O=C(CCN1C(=O)NC2(CCCC2)C1=O)NCc1ccc(-c2ccc(Cl)cc2)o1 8339119 BUTLTPLYPZBYSB-UHFFFAOYSA-N 415.877 3.471 0 40 HGAB CCCc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)sc1C 8474765 PSATYACSEBDYJI-UHFFFAOYSA-N 410.536 3.295 0 40 HGAB CNS(=O)(=O)c1cc(C(=O)NC(c2ccccc2)c2ccccc2)ccc1OC 8476104 WALKUTJQGRPVBX-UHFFFAOYSA-N 410.495 3.123 0 40 HGAB Cc1ccc([C@H]2N=C(N3CCN(c4ccccc4)CC3)Nc3nc(C)cc(=O)n32)cc1 9264593 JFWFDWVZIXKYIQ-QFIPXVFZSA-N 414.513 3.011 0 40 HGAB O=S1(=O)C[C@@H]2[C@H](C1)N=C(SCCCOc1ccccc1)N2c1ccccc1 9304130 RCCPSMRDFIORKB-RBUKOAKNSA-N 402.541 3.231 0 40 HGAB Cc1ccc(-n2ncc3c(=O)n(NC(=O)CCCc4ccccc4)cnc32)cc1C 10252159 MITXRNMATZKKIB-UHFFFAOYSA-N 401.470 3.292 0 40 HGAB CCCOc1ccc(OCCOC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)cc1 10755171 LHAZVIMLPDWVFE-UHFFFAOYSA-N 419.499 3.033 0 40 HGAB CCCn1c(SCC(=O)NC(=O)NCCOC)nc2ccc(C(F)(F)F)cc21 11021846 YBYDSLBUNQGMIR-UHFFFAOYSA-N 418.441 3.029 0 40 HGAB O=C(c1cn(-c2ccccc2)nc1-c1ccccc1)N1CCN(c2cnccn2)CC1 11086728 ADRYPCNTHRUILH-UHFFFAOYSA-N 410.481 3.292 0 40 HGAB Cn1nnnc1-c1cccc(NC(=O)CCc2nc(-c3ccc(Cl)cc3)no2)c1 11336700 XBCVCTMQJJOCRP-UHFFFAOYSA-N 409.837 3.152 0 40 HGAB NC1=Nc2nc3cc4c(cc3n2[C@@H](c2cccc(C(F)(F)F)c2)N1)OCCCO4 12506227 XGHLWCIFYAZLNI-INIZCTEOSA-N 403.364 3.313 0 40 HGAB CCCCOc1ccc(NC(=O)C[S@](=O)CC(=O)Nc2ccc(OC)cc2)cc1 12643626 XANCRNMUHMFKRT-LJAQVGFWSA-N 418.515 3.200 0 40 HGAB O=C(CN1CCN(C(=O)c2cccs2)CC1)NC(c1ccccc1)c1ccccc1 12906336 PSQWLAMCQRJMEZ-UHFFFAOYSA-N 419.550 3.412 0 40 HGAB O=C(OCC(=O)c1cccs1)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O 13146474 XBHUJOGXOSUNNB-UHFFFAOYSA-N 412.444 3.165 0 40 HGAB O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)Nc1ccccc1-c1nc2ccccc2[nH]1 13147762 KKIDENVTVCZWBF-GJZGRUSLSA-N 402.454 3.344 0 40 HGAB O=S(=O)(NCCCN1CCc2ccccc21)c1ccc(Br)s1 13631970 LFOLQSXDVRJADZ-UHFFFAOYSA-N 401.351 3.242 0 40 HGAB CC[C@H](C(=O)Nc1ccc2c(c1)OCCO2)N(c1cccc(Cl)c1)S(C)(=O)=O 13712441 CKUXEFWUQVLJKC-MRXNPFEDSA-N 424.906 3.295 0 40 HGAB CC[C@@H](C(=O)NCCSc1ccccc1)N(c1ccc(F)cc1)S(C)(=O)=O 13715330 HRGWGCGSBFWPFB-SFHVURJKSA-N 410.536 3.279 0 40 HGAB CSCC[C@@H](NC(=O)CNC(=O)c1ccccc1F)c1nc2ccccc2[nH]1 14095847 IEUIMURHTKVJTB-QGZVFWFLSA-N 400.479 3.042 0 40 HGAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccc(Br)cc1F 14167284 QVONROAEFXNCKD-UHFFFAOYSA-N 415.284 3.399 0 40 HGAB CCOC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1NC(=O)c1ccccc1Cl 15828205 QQAJGSNIUINPND-UHFFFAOYSA-N 415.808 3.454 0 40 HGAB CC(=O)N1CCC[C@@H](C(=O)OCc2nnc(-c3c(-c4ccccc4)noc3C)o2)C1 16554524 SMORLXIALLPFNC-MRXNPFEDSA-N 410.430 3.002 0 40 HGAB O=C([C@H]1CN(C(=O)c2cccc(Cl)c2Cl)c2ccccc2O1)N1CCOCC1 16964318 WODVMKBZHNNLBZ-QGZVFWFLSA-N 421.280 3.260 0 40 HGAB Cc1ccc(C(=O)N2CCCC[C@@H]2c2nc(O)c3c(n2)CN(C(=O)C2CC2)CC3)cc1 19135388 OBIOWJSKRRUEJI-HXUWFJFHSA-N 420.513 3.153 0 40 HGAB Cc1nc2c(c(=O)[nH]1)C[C@H]1CC[C@@H](C2)N1C(=O)c1ccc(-c2csc(C)n2)cc1 19286331 LRQSVAYPLVRQNP-SJORKVTESA-N 406.511 3.282 0 40 HGAB O=S(=O)(c1ccc2c(c1)CCC2)N1CCC(c2nnc3n2CCCCC3)CC1 19346270 LIAFNJVBWLCSIV-UHFFFAOYSA-N 400.548 3.062 0 40 HGAB C[C@H](Cn1cncn1)C(=O)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1 19457785 LZASFBDVHXATCV-LJQANCHMSA-N 404.514 3.089 0 40 HGAB CCN1CCN(CCNc2ncc(-c3ccsc3)c(-c3nccs3)n2)CC1 19528208 KMOZFRUAIKXLMR-UHFFFAOYSA-N 400.577 3.378 0 40 HGAB COc1cccc(-c2cccc(C[C@@H]3CN(C(=O)c4ccccn4)CCNC3=O)c2)c1 19566708 SJXQPEWYVWDFNC-OAQYLSRUSA-N 415.493 3.188 0 40 HGAB Cc1nc(N)c2ccc([C@H]3CN(C(=O)CCc4cccc(Cl)c4)CCO3)nc2n1 19704816 HPPWNHCOWLFULV-GOSISDBHSA-N 411.893 3.102 0 40 HGAB O=C(O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccc(Cl)cc1 20061322 SMCBALVVWXPYKI-UHFFFAOYSA-N 404.669 3.382 0 40 HGAB CCn1c(=O)n(CC)c2cc(S(=O)(=O)Nc3ccc(OC)c(Cl)c3)ccc21 20215011 LHJGZHYVVIIDHJ-UHFFFAOYSA-N 409.895 3.306 0 40 HGAB O=C(Nc1ccccc1C(=O)N1CCCCC1)c1cccc(CN2CCOCC2)c1 20486709 IONGSGDSRZRYCE-UHFFFAOYSA-N 407.514 3.397 0 40 HGAB COC(=O)c1ccccc1N(C)S(=O)(=O)c1ccc(OC)c(Br)c1 21867610 UNUIPRLCNLAPGJ-UHFFFAOYSA-N 414.277 3.069 0 40 HGAB COc1ccc(CN2CCN([C@@H](C)C(=O)N[C@@H](C)c3ccc(F)cc3)CC2)cc1F 22772788 ZMQQXEHAYFONJG-IRXDYDNUSA-N 417.500 3.357 0 40 HGAB COc1ccc(CNC(=O)[C@H](C)N2CCN(Cc3cccc(Cl)c3)CC2)cc1 22819396 OIHFKWHKFUMQSQ-KRWDZBQOSA-N 401.938 3.171 0 40 HGAB O=C(c1ccccc1)N1CCN(Cc2cc3c(cc2Br)OCO3)CC1 24097021 SNBCRZRBHDYHIV-UHFFFAOYSA-N 403.276 3.136 0 40 HGAB CCOc1cc2c(cc1COC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)O[C@H](C)C2 24710714 FXQSPGGGLYVKFS-CQSZACIVSA-N 419.499 3.016 0 40 HGAB COc1cc(C)c(S(=O)(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)c(C)c1 29047592 DWDRCTNKKXMCOJ-MRXNPFEDSA-N 418.515 3.022 0 40 HGAB COCCn1cc(NS(=O)(=O)c2c(C)c(Cl)cc(C)c2Cl)ccc1=O 31534413 XRZCZBAKMPTFTK-UHFFFAOYSA-N 405.303 3.219 0 40 HGAB CSCC[C@@H](NC(=O)Cn1cccc(C(F)(F)F)c1=O)c1nc2ccccc2[nH]1 32909276 ZOCLYFJJIZUZSV-OAHLLOKOSA-N 424.448 3.354 0 40 HGAB COc1ccc(C(=O)COC(=O)CCc2nc(-c3ccccn3)no2)cc1Cl 32912296 XLGNQXCTZFRPTN-UHFFFAOYSA-N 401.806 3.152 0 40 HGAB CCCCCNC(=O)COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 33721697 UXYUKTATDLYKIX-UHFFFAOYSA-N 402.516 3.123 0 40 HGAB CCOC(=O)c1sc2nc([C@H](C)NCc3ccc4c(c3)OCO4)[nH]c(=O)c2c1C 34866247 NNHRUDJXYMAGOO-NSHDSACASA-N 415.471 3.049 0 40 HGAB COc1ccccc1[C@H](NC(=O)NCCCc1nc2ccccc2[nH]1)c1nccn1C 40071894 AGGSEUZVOWDDKA-NRFANRHFSA-N 418.501 3.326 0 40 HGAB CCC(CC)[C@@H](CNC(=O)Cc1c(F)c(F)c(F)c(F)c1F)N1CCOCC1 40087041 VSRCOOVRSWKURU-CYBMUJFWSA-N 408.411 3.178 0 40 HGAB C[C@H]1Cc2ccccc2N1C1CCN(C(=O)CCn2cnc3ccccc3c2=O)CC1 40135632 SVDPYMKZRYTHFJ-SFHVURJKSA-N 416.525 3.229 0 40 HGAB Cc1ccc(CCCC(=O)N(CC(C)C)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)cc1 40140615 ZSDRPZZKKAFEKD-UHFFFAOYSA-N 414.550 3.095 0 40 HGAB CCc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCCC[C@@H]4CC)[nH]c(=O)c32)cc1 40390439 QLTSFQSGMBTDJL-IRXDYDNUSA-N 423.517 3.166 0 40 HGAB C=CC(=O)NCc1ccc(C(=O)Nc2ccc(I)cc2)cc1 48302704 GPSPANWAOPCCTK-UHFFFAOYSA-N 406.223 3.346 0 40 HGAB CC(=O)c1ccc(NC(=O)Cn2c(=O)n(-c3ccccc3)c(=O)c3sccc32)cc1 57428872 PPHQXVTXKHDTOS-UHFFFAOYSA-N 419.462 3.055 0 40 HGAB COc1ccc(-c2noc(-c3cccn3CC(=O)Nc3cc(C)on3)n2)cc1OC 57487219 IDQMJFPDSSNYCQ-UHFFFAOYSA-N 409.402 3.157 0 40 HGAB CCC(=O)N1CCc2cc(C(=O)CN3CCC(O)(c4ccccc4C)CC3)ccc21 57811717 QWIPACSVZQKMRB-UHFFFAOYSA-N 406.526 3.460 0 40 HGAB C[C@H](CNC(=O)Nc1ccc(NC(=O)[C@@H](C)n2cncn2)cc1)N(C)c1ccccc1 58145858 VOIDCLADDZIOPK-IAGOWNOFSA-N 421.505 3.124 0 40 HGAB O=C(NC1CCN(CCS(=O)(=O)c2ccc(Cl)cc2)CC1)C1CCCCC1 58391488 CRTWOIIUOKHNCN-UHFFFAOYSA-N 412.983 3.275 0 40 HGAB Cc1ccc(C)c([C@@H]2NC(=O)N(CC(=O)Nc3cccc(C)c3C)C3=C2C(=O)OC3)c1 67288853 DRGNJQVGEMUMJZ-QFIPXVFZSA-N 419.481 3.436 0 40 HGAB COc1ccc([C@H]2[C@@H](C(=O)NCCn3cccc3)c3ccccc3C(=O)N2C)cc1 70666594 IAAGRLKLWQAMRB-VXKWHMMOSA-N 403.482 3.224 0 40 HGAB biogenic COc1ccc2c(ccn2CCNC(=O)Cc2c(C)c3ccc(OC)cc3oc2=O)c1 72325651 LIIUKZLZNRYKOH-UHFFFAOYSA-N 420.465 3.432 0 40 HGAB biogenic COc1cccc(-c2nccnc2[C@H]2CCCN(CC(=O)Nc3nccs3)C2)c1 72358602 WDZQXZUWORNZQE-INIZCTEOSA-N 409.515 3.427 0 40 HGAB Cc1csc(Nc2cccc([C@H]3CCCN3C(=O)Cn3c(C)cc(C)nc3=O)n2)n1 72375463 DHDWDRABPCHSGI-QGZVFWFLSA-N 424.530 3.127 0 40 HGAB CCc1nnc(Nc2cccc([C@H]3CCCN(CC(=O)N4CCCC4)C3)n2)s1 72375946 MRTROMBQUFZXLI-HNNXBMFYSA-N 400.552 3.041 0 40 HGAB Cc1cccc(CN2CCO[C@](Cc3ccccc3-c3ccccc3)(C(N)=O)C2)n1 72389033 VPAGRLHREXDIGP-VWLOTQADSA-N 401.510 3.356 0 40 HGAB COC(=O)c1csc(NC(=O)N2CCC(C(=O)Nc3ccccc3OC)CC2)c1 83980579 GVFUZWAUEZAPTE-UHFFFAOYSA-N 417.487 3.426 0 40 HGAB O=C(OCC(=O)N1CCC[C@@H](C(F)(F)F)C1)C1=Cc2cc(Cl)ccc2OC1 84459240 ISDAXDKEWGURFZ-CYBMUJFWSA-N 403.784 3.460 0 40 HGAB CC(C)[C@@H](NC(=O)c1ccc(F)cc1)C(=O)NC[C@@H]1CCCN1Cc1ccccc1 89791048 IXXGBLUGLVDKAX-FCHUYYIVSA-N 411.521 3.361 0 40 HGAB C[C@@H]1C[C@H](NC(=O)COc2ccc(N3CCCC3=O)cc2)CCN1Cc1ccccc1 95408975 RIQLCABSCOHFIC-TZIWHRDSSA-N 421.541 3.362 0 40 HGAB O=C(CCn1ccc2ccccc21)Nc1ccc2c(c1)C(=O)N1CCC[C@H]1C(=O)N2 96116446 MMYIKXGKJQHHPA-FQEVSTJZSA-N 402.454 3.227 0 40 HGAB biogenic CN1CCn2c(-c3cccc(F)c3)cnc2C12CCN(C(=O)Cc1ccccn1)CC2 96144954 WPNRHOPTWZPWEG-UHFFFAOYSA-N 419.504 3.090 0 40 HGAB CCc1cccc(NC(=O)N2CC[C@@]3(C2)CN(c2cccc(F)c2)C(=O)CN3C)c1 96237970 GMCNJRQOSLBKGJ-HSZRJFAPSA-N 410.493 3.343 0 40 HGAB COC(=O)C1=C(c2ccc(Cl)cc2)NC(=S)N[C@@H]1c1ccc(OC)cc1OC 105093883 PPDCTWPJADPPCK-GOSISDBHSA-N 418.902 3.460 0 40 HGAB COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)N[C@H]1CCCc2ccccc21 222669324 ZECMROIRZNRITF-FQEVSTJZSA-N 416.543 3.072 0 40 HGAB C[C@@H](NS(=O)(=O)Cc1cccc(Br)c1)c1ccc2c(c1)OCCO2 222735955 MCHZPQBETWGRGU-GFCCVEGCSA-N 412.305 3.401 0 40 HGAB CC(=O)N(Cc1ccc(F)cc1)[C@H](Cc1ccccc1)C(=O)NCc1ccncc1 223191566 DFCGUDISVNOWQM-HSZRJFAPSA-N 405.473 3.497 0 40 HGAB CN(C)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(Br)s1 223253641 FWIDIAQASONVME-GJZGRUSLSA-N 411.394 3.440 0 40 HGAB COc1ccccc1-n1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1CCCO 223609113 GQKFOWCXXXCXJX-NHCUHLMSSA-N 408.527 3.236 0 40 HGAB C[C@@H](C(=O)Nc1ccc(N2CCCC2)cc1)N(c1ccc(F)c(F)c1)S(C)(=O)=O 224930601 CFBKUCUBJOUSKJ-AWEZNQCLSA-N 423.485 3.358 0 40 HGAB CNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)Cc1ccc(C)cc1 225465334 HUDFFKWOAOUAFZ-HNNXBMFYSA-N 403.320 3.463 0 40 HGAB COc1ccc(S(=O)(=O)NC[C@](O)(c2ccco2)c2cccs2)cc1Cl 225589981 JCWZEIHVBDDPFE-KRWDZBQOSA-N 413.904 3.218 0 40 HGAB COC(=O)Nc1ccc(S(=O)(=O)NCc2ccnc(-c3ccsc3)c2)cc1 225758334 HIDKMBYAKFLMSU-UHFFFAOYSA-N 403.485 3.467 0 40 HGAB COc1ccc2c(c1)[C@H]1C[C@@](C)(O2)N(C)C(=O)[C@H]1S(=O)(=O)c1ccc(C)c(C)c1 229979097 VNXZQQDHECMJME-KAGYGMCKSA-N 415.511 3.209 0 40 HGAB COc1ccc(F)cc1S(=O)(=O)N1CC[C@H](Oc2ccc3ccccc3n2)C1 253394503 CNIVINMHFYMCQZ-INIZCTEOSA-N 402.447 3.225 0 40 HGAB CC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3N(C(=O)c1cnccn1)[C@H]2Cc1ccccc1 257207314 BHEUNTLYOJFOEA-WHGMEAMLSA-N 418.541 3.482 0 40 HGAB CO[C@@H]1CCN(CC(=O)Nc2ccc(OCc3ccccc3)cc2)C[C@]12CCCO2 257273767 NICQIEXMGIZOJW-ISKFKSNPSA-N 410.514 3.474 0 40 HGAB Cc1ccc2nc(COCC(=O)N3CCC[C@H]3c3cccc(-n4ccnc4)n3)[nH]c2c1 257312724 UPHAGWMXPZDLGJ-FQEVSTJZSA-N 416.485 3.332 0 40 HGAB COc1ccc(N([C@H](C)C(=O)N[C@H](C)c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 260452920 AMVKGUTTXKCPGZ-IAGOWNOFSA-N 404.532 3.344 0 40 HGAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(F)cc3F)C2)cc1 408557337 GOLHCFMKZOWGCX-CQSZACIVSA-N 424.469 3.403 0 40 HGAB CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(NC(=O)NCC(C)C)cc2)cc1 408584720 UDEVRWVIIQEQJQ-UHFFFAOYSA-N 419.503 3.442 0 40 HGAB CCOc1ccccc1N1C[C@H](C(=O)OCC(=O)Nc2ccc(C)c(C)c2)CC1=O 408651897 BPHWMYIYDNGMES-QGZVFWFLSA-N 410.470 3.237 0 40 HGAB O=C(CN1C(=O)N/C(=C/c2ccc(Br)cc2)C1=O)Nc1ccccc1F 409214527 XZQVTZKPHBUTJN-OQLLNIDSSA-N 418.222 3.120 0 40 HGAB CC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1Cl 409389096 GGYXRFZYXUSVQD-CQSZACIVSA-N 422.934 3.385 0 40 HGAB Cn1c(=O)oc2ccc(S(=O)(=O)Nc3ccccc3-c3cn4c(n3)CCCC4)cc21 585150604 WZJNKKUQYLXKEO-UHFFFAOYSA-N 424.482 3.132 0 40 HGAB CC(C)N1C(=O)c2ccccc2[C@@H](C(=O)N2CCC2)C12CCN(C(=O)C1CCC1)CC2 1549174852 SJQZRNHGBBXERN-NRFANRHFSA-N 423.557 3.028 0 40 HGAB O=C(CSc1nnc(-c2ccncc2)n1Cc1ccco1)NCc1ccccc1 873131 IMDPVQSOWOYIBZ-UHFFFAOYSA-N 405.483 3.390 0 40 HGAB CC1=NN(C(=O)c2cccc(Br)c2)[C@@](O)(C(F)(F)OC(F)(F)F)C1 983246 STLWPXYDNZVXLA-NSHDSACASA-N 417.128 3.489 0 40 HGAB COc1ccc(/C=C2\SC(=O)N(CC(=O)N[C@@H]3CCCC[C@H]3C)C2=O)cc1OC 1472438 WBNCKQLRAWTVIR-SCCNBLSMSA-N 418.515 3.435 0 40 HGAB Cc1c(CC(=O)N[C@H](C(=O)O)C(C)C)c(=O)oc2cc3oc4c(c3cc12)CCCC4 2156926 XYFLNKSXHSXHMO-NRFANRHFSA-N 411.454 3.494 0 40 HGAB biogenic COC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)CCN1CCN(c2ccccc2)CC1 2261337 WSOFKFVRGJLDLK-UHFFFAOYSA-N 424.476 3.244 0 40 HGAB Cc1ccc(CC(=O)OCC(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C)C3)cc1C 2651193 USGBJWXUNULSLI-GFCCVEGCSA-N 414.527 3.313 0 40 HGAB COc1ccc(-n2nnc3c(SCC(=O)Nc4ccccc4C)ncnc32)cc1 4166742 XPJBZLKGHJJOLK-UHFFFAOYSA-N 406.471 3.258 0 40 HGAB Cc1ccc(Cn2c(=O)c3c(nc4n3CCCN4c3ccccc3C)n(C)c2=O)cc1 4249414 XYYBINCRBZVFAV-UHFFFAOYSA-N 415.497 3.104 0 40 HGAB COc1ccc(Cn2nnc(C(=O)Nc3cccc(C)c3)c2N)cc1Br 4483336 CCUJBKNCIISWHK-UHFFFAOYSA-N 416.279 3.240 0 40 HGAB COc1cc([C@@H]2CC(=O)N(c3cccc(Cl)c3)C3=C2C(=O)OC3)cc(OC)c1O 4519955 YBMIAHBJLPNJCB-AWEZNQCLSA-N 415.829 3.394 0 40 HGAB COC(=O)c1ccc(OC(=O)c2ccccc2I)c(OC)c1 4659959 ASMPVMPARYVFQX-UHFFFAOYSA-N 412.179 3.306 0 40 HGAB COc1ccc(NC2CCN(C3=CC(=O)N(c4ccc(OC)cc4)C3=O)CC2)cc1 4709716 WEHCBKLEJCDXPK-UHFFFAOYSA-N 407.470 3.037 0 40 HGAB COc1cccc([C@@H]2C(C(=O)Nc3cc(OC)ccc3OC)=C(C)Nc3ncnn32)c1 4937643 NQSAGZBKYCYASR-HXUWFJFHSA-N 421.457 3.232 0 40 HGAB O=C(N[C@H]1CCCc2ccccc21)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 5090492 VPROHFIAOWLILF-FQEVSTJZSA-N 423.538 3.041 0 40 HGAB O=c1[nH]c(CSc2nc3ccccc3c(=O)n2C[C@@H]2CCCO2)nc2ccccc12 6446929 BGFYVQYFIUGQHA-AWEZNQCLSA-N 420.494 3.104 0 40 HGAB O=C(Nc1cccc(Cl)c1)[C@@H]1[C@@H]2C=C[C@@]3(CN(CCc4ccccc4)C(=O)[C@@H]13)O2 6759796 NXSSGYPVVHRRQW-VAWZGJIGSA-N 408.885 3.303 0 40 HGAB CC(C)[C@@H](NS(=O)(=O)c1c(Cl)cccc1Cl)C(=O)Nc1nccs1 7061361 HUSFGLAGNQCVFN-LLVKDONJSA-N 408.332 3.392 0 40 HGAB CC(C)(C)OC(=O)Nc1cccc(C(=O)OCCN2C(=O)c3ccccc3C2=O)c1 7425077 RAWQEZAPNFSRLQ-UHFFFAOYSA-N 410.426 3.487 0 40 HGAB COC(=O)c1sc(NC(=O)CN2CCCc3ccccc32)c(C(=O)OC)c1C 7588058 BBKYPFVTODINFW-UHFFFAOYSA-N 402.472 3.021 0 40 HGAB CCOc1cc(CNn2nnnc2N)ccc1OCc1ccc(Cl)cc1Cl 7602443 XWMOHWZQEXQNDI-UHFFFAOYSA-N 409.277 3.284 0 40 HGAB CC(=O)[C@@H](C)OC(=O)c1ccc(CNS(=O)(=O)c2ccc(F)c(Cl)c2)cc1 7737376 XHRGYPJPLZQDMX-GFCCVEGCSA-N 413.854 3.092 0 40 HGAB CCn1c(SCC(=O)N[C@@H](CC(C)C)c2ccccc2)nnc1N1CCOCC1 7789010 AAYOVMLISAPLPZ-SFHVURJKSA-N 417.579 3.130 0 40 HGAB COc1ccc(OC)c(N2C[C@H](C(=O)OCC(=O)c3ccc(C)c(C)c3)CC2=O)c1 7881567 BKLWKEIUSSGNEY-QGZVFWFLSA-N 411.454 3.100 0 40 HGAB COc1cccc(CNC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)c1 8379031 TXRHWNDHLHJHPC-UHFFFAOYSA-N 422.934 3.453 0 40 HGAB CCOC(=O)C1=C(C)NC(=O)C[C@@H]1C(=O)Nc1cc(C(F)(F)F)ccc1Cl 8570148 TVJBCVKPSQCUFZ-JTQLQIEISA-N 404.772 3.271 0 40 HGAB Cc1c(S(=O)(=O)CCNC(=O)NCc2ccc(Cl)cc2)c2ccccc2n1C 8808505 TYMDQPZEDRFHMV-UHFFFAOYSA-N 419.934 3.413 0 40 HGAB CCOc1ccc(N2C[C@@H](CNS(=O)(=O)c3c(C)cc(C)cc3C)CC2=O)cc1 9036047 XMGPYXTUTGYDFX-GOSISDBHSA-N 416.543 3.342 0 40 HGAB C[C@H](Oc1ccccc1F)C(=O)Nc1nnc(S(=O)(=O)Cc2ccccc2)s1 9409771 BBSSYYGRBSDWGA-LBPRGKRZSA-N 421.475 3.057 0 40 HGAB C[C@H]1Cc2ccccc2N1C(=O)COC(=O)CNC(=O)c1ccc(Cl)cc1Cl 9442394 XQTDTLOZYRMWIJ-LBPRGKRZSA-N 421.280 3.244 0 40 HGAB COc1ccc(C(=O)CN2C(=O)N[C@@](C)(c3cccc(Br)c3)C2=O)cc1 9592375 DSVPRWPTDOTXDA-IBGZPJMESA-N 417.259 3.108 0 40 HGAB O=C(Cc1csc(NS(=O)(=O)c2ccccc2)n1)NCCC1=CCCCC1 9828684 ZUAYBZKGQBAQGR-UHFFFAOYSA-N 405.545 3.493 0 40 HGAB O=c1c2ccccc2cnn1CN1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 9872304 JIBWGJVCHUUHEY-UHFFFAOYSA-N 423.826 3.243 0 40 HGAB COc1cccc(-c2nn(-c3ccc(C)cc3)cc2C(=O)NCC(=O)N2CCCC2)c1 10116733 OKOVUAHXPSQJFO-UHFFFAOYSA-N 418.497 3.209 0 40 HGAB COc1ccc(F)cc1S(=O)(=O)N1CCC(C(=O)Nc2ccc(C)cc2)CC1 10302888 ADENNVICAIHEOS-UHFFFAOYSA-N 406.479 3.182 0 40 HGAB COc1cc(C(=O)NCc2ccc(C(=O)N3CCCCC3)cc2)cc2c1OCCO2 10460719 CFQBHYDKVPMRIX-UHFFFAOYSA-N 410.470 3.023 0 40 HGAB COc1ccc([C@H]2c3cccn3CCN2S(=O)(=O)c2ccccc2F)cc1OC 12361683 QCCPYLCMYUPBHR-NRFANRHFSA-N 416.474 3.438 0 40 HGAB COc1ccc([C@@H]2CCCN2C(=O)CNC(=O)c2ccccc2Cl)c(OC)c1 12786322 DUVOFWHFLWJSBK-SFHVURJKSA-N 402.878 3.451 0 40 HGAB CCOC(=O)c1ccsc1NC(=O)CSc1nnnn1-c1ccc(C)cc1C 12809409 XXZDXOPBTSYOHZ-UHFFFAOYSA-N 417.516 3.248 0 40 HGAB C[C@H]1CN(C(=O)c2ccc(CNS(=O)(=O)c3cccc(Cl)c3)cc2)C[C@@H](C)O1 12883355 GLYJPZCURRXREL-GASCZTMLSA-N 422.934 3.068 0 40 HGAB CCCNS(=O)(=O)c1cccc(C(=O)Nc2cc(OC)c(Cl)cc2OC)c1 12986396 USXYOYUGDSYOGE-UHFFFAOYSA-N 412.895 3.298 0 40 HGAB Cc1ccccc1N1CCN(C(=O)[C@@H]2CC(=O)N(Cc3ccccc3Cl)C2)CC1 13102201 PATUMEKDYUKQAD-LJQANCHMSA-N 411.933 3.346 0 40 HGAB COC(=O)c1cc(Br)ccc1S(=O)(=O)NCc1ccccc1Cl 13135485 HBBXLWIIVDZPCP-UHFFFAOYSA-N 418.696 3.368 0 40 HGAB COc1cc(C(=O)Nc2cccc(Cl)c2C)c(N(C)S(C)(=O)=O)cc1OC 13582602 LQXQCFQUPIARHJ-UHFFFAOYSA-N 412.895 3.314 0 40 HGAB CCCNC(=O)c1ccccc1NC(=O)[C@H](CC)N(c1ccccc1)S(C)(=O)=O 13685880 OQEIKONWJBJWHQ-IBGZPJMESA-N 417.531 3.010 0 40 HGAB CCC(CC)c1nnc(NC(=O)c2cc(Cl)c(OCC(N)=O)c(OC)c2)s1 14775055 UMZWCWQVEQCEAM-UHFFFAOYSA-N 412.899 3.220 0 40 HGAB Cn1cc(C(=O)OCC(=O)c2ccc(F)cc2)c(-c2ccc3c(c2)OCCCO3)n1 15518923 YWFYDMWWUMKHSN-UHFFFAOYSA-N 410.401 3.427 0 40 HGAB O=C(Nc1ccc(F)cc1F)C1CCC(Cn2c(=O)[nH]c3ccccc3c2=O)CC1 17028951 RVIFQGORZMIBJT-UHFFFAOYSA-N 413.424 3.413 0 40 HGAB COc1ccc(NC(=O)c2ccc(=O)n(CC(=O)Nc3ccc(C(C)C)cc3)n2)cc1 17113655 TXTYLYXHUOBKPK-UHFFFAOYSA-N 420.469 3.266 0 40 HGAB COc1cccc(CC(=O)N2CC[C@H](C(=O)c3cnn(-c4ccc(C)cc4)c3N)C2)c1 19213276 QSYZRZUSAVHREE-SFHVURJKSA-N 418.497 3.045 0 40 HGAB Cc1ccc(C(=O)N2CCC[C@@H](c3cc(N(C)C)nc(-c4cccnc4)n3)C2)cn1 19214849 RXESBWXAHNPQNQ-LJQANCHMSA-N 402.502 3.328 0 40 HGAB Cc1cccc2c(-c3ccncc3)c([C@H]3CCCN(C(=O)CCn4cnnn4)C3)[nH]c12 19236531 NXZYVPIBSXSZQJ-SFHVURJKSA-N 415.501 3.321 0 40 HGAB N[C@H]1N=CNC2=C1[C@H](c1ccc(Br)cc1)c1c(c3ccccc3oc1=O)O2 19320115 YJVGAFBGULKMPT-KDOFPFPSSA-N 424.254 3.208 0 40 HGAB biogenic Cc1ccc([C@H](c2nnnn2C2CCCC2)N2CCN(C(=O)c3ccco3)CC2)cc1 20121751 JYHYAWKZQAHICW-OAQYLSRUSA-N 420.517 3.237 0 40 HGAB CCOc1ccc([C@@H](C)NC(=O)[C@H](C)N(c2ccc(OC)cc2)S(C)(=O)=O)cc1 20450483 WAEBOSMNRMYOQA-CVEARBPZSA-N 420.531 3.126 0 40 HGAB COc1cc(Cl)c(C)cc1N1C(=O)C[C@@H](N2CCN(c3ccccc3)CC2)C1=O 21816717 LHOAEWBGXFRIQT-LJQANCHMSA-N 413.905 3.111 0 40 HGAB CCCCNC(=O)c1cc(OC)c(OC)cc1N(Cc1ccccc1)S(C)(=O)=O 22253219 JFYKEQWKUBWWRF-UHFFFAOYSA-N 420.531 3.200 0 40 HGAB COC(=O)c1ccc(Cn2nc(C3CC3)c3cnn(-c4ccc(F)cc4)c3c2=O)o1 22768059 BTUGLYFVTAAHPO-UHFFFAOYSA-N 408.389 3.027 0 40 HGAB COc1ccc(C)cc1NC(=O)[C@@H](c1ccccc1)N1CCN(C[C@H]2CCCO2)CC1 22799460 NNXKJOGRRFBOQO-ZJSXRUAMSA-N 423.557 3.480 0 40 HGAB COc1cccc(NC(=O)C(=O)NC[C@@H](c2ccco2)N2CCc3ccccc3C2)c1 22907454 YFGKQGPQJZYWCK-NRFANRHFSA-N 419.481 3.143 0 40 HGAB Cc1noc2nc(-c3cccs3)cc(C(=O)NCCCN3C[C@H](C)O[C@H](C)C3)c12 23509677 CISDEXNLVBRHEI-OKILXGFUSA-N 414.531 3.489 0 40 HGAB O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1O)c1sccc1-n1cccc1 24928005 IZIXJLJORUMTBD-UHFFFAOYSA-N 417.512 3.281 0 40 HGAB Cc1ccc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccccc2F)nc1 24987036 HXLLGGCFEZVCLV-GOSISDBHSA-N 413.474 3.057 0 40 HGAB Cc1ccc2nc(COC(=O)c3cccnc3SCC(F)(F)F)cc(=O)n2c1 25958659 CWTJWZCBLZXYAH-UHFFFAOYSA-N 409.389 3.409 0 40 HGAB Cc1nc(-c2ccccc2)[nH]c(=O)c1CCC(=O)N1CCN(C)C[C@@H]1c1ccccc1 26937088 LXCITDCWSBDZKI-JOCHJYFZSA-N 416.525 3.193 0 40 HGAB Cc1ccc(C(=O)NCCOc2ccc(C(C)(C)C)cc2)cc1NS(C)(=O)=O 29209241 CRYWESLSPJONJV-UHFFFAOYSA-N 404.532 3.473 0 40 HGAB COc1ccc(CCNC(=O)c2ccc(CN3C[C@H](C)O[C@H](C)C3)cc2)cc1OC 32824548 IZEKTTQUGGOHAA-HDICACEKSA-N 412.530 3.286 0 40 HGAB O=C(NC1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccc2c(c1)OCCO2 32930204 BDNKURVZFYKBRQ-UHFFFAOYSA-N 407.392 3.270 0 40 HGAB COC(=O)[C@H]1C(=O)N(Cc2ccc(Br)cc2F)C(=O)c2ccc(F)cc21 34106442 VRDRWIRJPFJGHV-OAHLLOKOSA-N 424.197 3.167 0 40 HGAB NC(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc3c(c1)OCO3)CC2 34876816 RCADSSOGNWRXAL-ZROIWOOFSA-N 402.406 3.092 0 40 HGAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(-c4ccc(C#N)cc4)o3)C2=O)o1 34896137 PUZJTYUGHWEBSE-YVLHZVERSA-N 417.377 3.291 0 40 HGAB C[C@H](NC(=O)OCc1ccccc1)C(=O)NC[C@@H](c1ccccc1Cl)N(C)C 39976129 WOCMOECVIBGTKX-KXBFYZLASA-N 403.910 3.374 0 40 HGAB COc1cccc(CNC(=O)[C@@H]2CC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)c1 40120085 BCQFFSGUAVCAIU-MRXNPFEDSA-N 406.404 3.379 0 40 HGAB CCCN1CCC(NC(=O)[C@H]2CC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)CC1 40120291 KPCPFFGCUKCMBH-INIZCTEOSA-N 411.468 3.045 0 40 HGAB CCOc1c(Br)cc(C(=O)NCC(=O)Nc2ccccc2)cc1OC 40151951 FWJLGMTZOVCDML-UHFFFAOYSA-N 407.264 3.225 0 40 HGAB CC[C@@H](C)NC(=O)CN1C(=O)[C@@H](C)Oc2ccc(-c3csc(CCOC)n3)cc21 40608612 VKMMTOPIBWYNRA-ZIAGYGMSSA-N 417.531 3.028 0 40 HGAB O=C(CSc1ncnc2c1cnn2-c1ccc(F)cc1)NCC#Cc1ccccc1 42606067 DZGGOIBYYDTEOJ-UHFFFAOYSA-N 417.469 3.215 0 40 HGAB Cc1ccc(NS(=O)(=O)c2n[nH]c(C)c2C(=O)NC[C@@H](C)c2ccccc2)cc1 49003419 DYGZDVIQBAXKMK-OAHLLOKOSA-N 412.515 3.361 0 40 HGAB COc1ccccc1-c1nnc([C@H]2CCN(Cc3ccc(S(C)(=O)=O)cc3)C2)o1 49170077 WKGBDVDBQYYRLF-INIZCTEOSA-N 413.499 3.138 0 40 HGAB biogenic,in-vitro COC(=O)Cn1c2c(sc1=O)[C@H](c1ccc(OC)cc1)CC(=O)N2c1ccccc1 49546146 UNOIOROYMBUCPK-KRWDZBQOSA-N 424.478 3.292 0 40 HGAB CC(C)c1ccc(-n2ncc3c(=O)n(CC(=O)N(C)c4ccccc4)cnc32)cc1 57486484 TTYRIVGHVWOMNA-UHFFFAOYSA-N 401.470 3.369 0 40 HGAB CCc1ccc(NC(=O)CSc2ncnc3nc(N4CCOCC4)sc23)cc1 57506740 YGCIQMOOUAUVEH-UHFFFAOYSA-N 415.544 3.216 0 40 HGAB O=C(NCc1cccnc1Oc1cccc(F)c1)N1CCN(Cc2ccncc2)CC1 59305503 AYECPCMESOUQLX-UHFFFAOYSA-N 421.476 3.435 0 40 HGAB C[C@@H]1NC(C(=O)Nc2ccc(N(C)C)cc2C(F)(F)F)=NN(c2ccccc2)C1=O 59576319 IMLMQDPRSJQHOP-LBPRGKRZSA-N 419.407 3.048 0 40 HGAB O=C(c1cc(Br)ccc1-n1cnnn1)N1CCC(c2ccccc2)CC1 61721357 FIZJTZXRNUAGGZ-UHFFFAOYSA-N 412.291 3.445 0 40 HGAB Cc1ccccc1NC(=O)Cn1c(=O)cnc2cc(C(=O)NC3CCCC3)ccc21 62007116 DPYUGTXWWGQSOQ-UHFFFAOYSA-N 404.470 3.016 0 40 HGAB O=C(NCC1CCN(C(=O)c2cccnc2)CC1)c1ccccc1Br 70926892 GTQDVPZYBFADLA-UHFFFAOYSA-N 402.292 3.126 0 40 HGAB O=C(NCC1CCN(S(=O)(=O)c2cccnc2)CC1)c1cccc2ccccc12 70933357 LZCQRPSTCZFLPY-UHFFFAOYSA-N 409.511 3.066 0 40 HGAB COc1ccccc1NC(=O)CN1CCCC[C@@H]1C(=O)Nc1ccc2c(c1)CCO2 72293989 WDZDKJAFEWUFNL-LJQANCHMSA-N 409.486 3.062 0 40 HGAB Cn1ccnc1[C@@H](O)c1cccc(F)c1N1CCN(Cc2ccc(F)c(F)c2)CC1 72389651 QTAGOOIJPOLLRO-NRFANRHFSA-N 416.447 3.241 0 40 HGAB O=C(CCn1nnc2ccccc21)N[C@@H]1CCCc2c1cnn2Cc1ccccc1 72396242 MNWWIWMDUTZEDE-LJQANCHMSA-N 400.486 3.260 0 40 HGAB COc1cc(OC)cc(C(=O)Nc2cccnc2-n2cc(Br)cn2)c1 72403694 ZIUQAERDXQPYKP-UHFFFAOYSA-N 403.236 3.299 0 40 HGAB Cc1nc(-c2cccc(NC(=O)c3coc(NC(=O)c4cnccn4)n3)c2)cs1 77099948 ZDRLUJMSZOXQQO-UHFFFAOYSA-N 406.427 3.401 0 40 HGAB CCOc1ccc(CC(=O)Nc2cc(N3CCN(c4ccccc4)CC3)ncn2)cc1 77200530 ZKWSSQOWWDAZDU-UHFFFAOYSA-N 417.513 3.383 0 40 HGAB C[C@H]1CN(c2ccc(S(N)(=O)=O)cc2C(F)(F)F)C[C@H](c2ccccc2)O1 78873957 VQHKVZHXSXFGNA-YVEFUNNKSA-N 400.422 3.319 0 40 HGAB C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)c1nccc2c(S(N)(=O)=O)cccc12 95456880 AQDZLCVTSCXLQT-HNNXBMFYSA-N 409.511 3.323 0 40 HGAB FC(F)(F)c1cc(N2CCC[C@@H](n3nccc3C(F)(F)F)C2)n2ncnc2n1 95466015 KFVUULPRYDBFBI-SECBINFHSA-N 405.306 3.200 0 40 HGAB Cc1cccc(C)c1N1CCN(S(=O)(=O)C[C@]23CC[C@@H](CC2=O)C3(C)C)CC1 100484922 AESDDWZZXFHKGZ-PGRDOPGGSA-N 404.576 3.151 0 40 HGAB Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]2[C@H]2CCCN21 106536316 GDODBXYULPSREU-GKAYAJSDSA-N 421.884 3.080 0 40 HGAB COc1ccc([C@@H](C)NC(=O)CCCN(c2cccc(C)c2)S(C)(=O)=O)cc1 113956557 NYDNYFXOFATAGR-QGZVFWFLSA-N 404.532 3.427 0 40 HGAB COc1ccc(OC)c(N([C@H](C)C(=O)N[C@@H](C)c2ccc(C)cc2)S(C)(=O)=O)c1 220222124 HVUXYQNQOWKDSN-JKSUJKDBSA-N 420.531 3.044 0 40 HGAB CCOC(=O)c1ccc(C)c(NC(=O)[C@H](C)N(c2ccccc2F)S(C)(=O)=O)c1 220315747 BQEROCILOZZUTA-AWEZNQCLSA-N 422.478 3.104 0 40 HGAB CC[C@H](C(=O)NCc1ccccc1OC)N(c1cc(C)cc(C)c1)S(C)(=O)=O 220564575 WEPPXSVPDCKGBG-LJQANCHMSA-N 404.532 3.173 0 40 HGAB CCOc1ccc(N([C@@H](CC)C(=O)NCc2ccc(F)cc2)S(C)(=O)=O)cc1 220678642 PPFPICZOWUSVCX-IBGZPJMESA-N 408.495 3.085 0 40 HGAB CC[C@H]1CCCCN1CCCNS(=O)(=O)c1cc(Br)ccc1OC 222791190 MJRGDLSLAPWOPY-HNNXBMFYSA-N 419.385 3.391 0 40 HGAB CSc1ccccc1NC(=O)COc1ccc(S(=O)(=O)NC2CC2)cc1C 223057593 QBRUPZOGDWHPJE-UHFFFAOYSA-N 406.529 3.175 0 40 HGAB CCOc1ccc(-c2noc(CN(C)S(=O)(=O)Cc3cccc(C)c3)n2)cc1 223626227 PDRUKYUNYNRRLQ-UHFFFAOYSA-N 401.488 3.406 0 40 HGAB Cc1ccc(OCCNC(=O)CCCN(c2ccc(F)cc2)S(C)(=O)=O)cc1C 224148868 DZRVACGEIQQSIW-UHFFFAOYSA-N 422.522 3.184 0 40 HGAB COc1ccc(C(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCCCC3)c2)cc1C 224166959 HVEHHIATYVSXMJ-UHFFFAOYSA-N 418.515 3.439 0 40 HGAB COC(=O)CN(c1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc(OC)cc1 224865933 CRKZKDAMFRFFAM-UHFFFAOYSA-N 403.378 3.082 0 40 HGAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-n1cnnc1 225009092 CMULRYQQNSUKIV-WOJBJXKFSA-N 407.547 3.318 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)N[C@H]1C[C@@H]2CC[C@@H]1C2 225183857 CKBOOPKFUAIBCO-HLIPFELVSA-N 420.575 3.107 0 40 HGAB Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)N[C@@H](C)C(C)C)Oc3cc(C)ccc32)cc1 225219242 RDRSJGUMTCAOQF-UWJYYQICSA-N 416.543 3.420 0 40 HGAB COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)Nc1ccc(OC(C)C)cc1 225539864 QABCPWOTOXIRIW-UHFFFAOYSA-N 420.531 3.304 0 40 HGAB Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@H](C(=O)C(C)(C)C)N2N=Cc4ccccc4[C@@H]32)cc1 248085659 FFSUGNKQQRZUEM-JSXRDJHFSA-N 415.493 3.489 0 40 HGAB CS(=O)(=O)N1C[C@H](C(=O)N[C@H]2CCCc3ccccc32)Oc2ccc(Cl)cc21 250937008 GQIUBHDVAPYQJN-QFBILLFUSA-N 420.918 3.061 0 40 HGAB CCN(CC)C(=O)Nc1ccc(S(=O)(=O)NCCc2ccc(OC)cc2)cc1 408594001 RJWWLRQPJUWPGF-UHFFFAOYSA-N 405.520 3.090 0 40 HGAB O=C(c1cc(S(=O)(=O)N2CCC[C@H]2Cc2ccccc2Cl)c[nH]1)N1CCCC1 511876591 SFTLDUDIVRKINM-INIZCTEOSA-N 421.950 3.300 0 40 HGAB O=C(O)[C@@H]1c2ccccc2CCN1C(=O)c1cn(-c2cccc(C(F)(F)F)c2)nn1 540704965 HZAZULUIHRHAIQ-KRWDZBQOSA-N 416.359 3.110 0 40 HGAB C1CO[C@H]([C@@H]2N(CCOCCN3CC4(CCC4)[C@@H]3[C@@H]3CCCO3)CC23CCC3)C1 562907378 GQIISTRZWIYEDC-CMOCDZPBSA-N 404.595 3.070 0 40 HGAB Cn1cc(C(=O)N2CCC[C@]3(CCCCCOc4ccccc4C(=O)NC3)C2)cn1 643559323 FQKYSQFXKNAMSR-QHCPKHFHSA-N 410.518 3.025 0 40 HGAB CN1C(=O)C[C@@H](C(=O)O[C@@H](CSc2nc[nH]n2)c2ccccc2)c2ccccc21 1122714626 MQLCVZNVYKGRDF-AEFFLSMTSA-N 408.483 3.332 0 40 HGAB CCOC(=O)Cc1csc(NC(NC(=O)OCC)(C(F)(F)F)C(F)(F)F)n1 2050606 TXCJHFZTOXGIAA-UHFFFAOYSA-N 423.335 3.228 0 40 HGAB O=C(CSc1nnc(NCc2ccccc2)s1)Nc1ccc2[nH]c(=O)[nH]c2c1 2619398 JOFUYMPLGYMGDU-UHFFFAOYSA-N 412.500 3.051 0 40 HGAB Cc1c(NC(=O)Cc2ccc(Br)cc2)c(=O)n(-c2ccccc2)n1C 2622872 AZHIYHOVVWKZRB-UHFFFAOYSA-N 400.276 3.428 0 40 HGAB O=C(COc1ccc(C(=O)c2ccccc2)cc1)OCC(=O)N1CCc2ccccc21 3260051 RAVBBFWBLQRINY-UHFFFAOYSA-N 415.445 3.429 0 40 HGAB Cc1cc(=O)oc2cc(OCC(=O)N3CCN(c4cccc(Cl)c4)CC3)ccc12 3315048 PVWGPUANHNLUHL-UHFFFAOYSA-N 412.873 3.482 0 40 HGAB CCOc1ccc(CCNC(=O)COC(=O)c2c(F)cccc2F)cc1OCC 3338481 KKLPDZGEDFAELU-UHFFFAOYSA-N 407.413 3.278 0 40 HGAB CCCS(=O)(=O)N1C[C@@H]2C[C@H](C1)c1c(-c3ccc(SC)cc3)ccc(=O)n1C2 4237488 FZIUOLXQZYKZKQ-DOTOQJQBSA-N 418.584 3.396 0 40 HGAB biogenic,in-vitro C[C@H]1CCN(C(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)c2ccccc2S1 4288955 CALIHJWWQATEOJ-NYHFZMIOSA-N 409.511 3.371 0 40 HGAB O=C(c1ccc(C(F)(F)F)cc1)N1CCN(c2ccc(N3CCCCC3)nn2)CC1 4583265 DZJZUMWWEDTLIX-UHFFFAOYSA-N 419.451 3.448 0 40 HGAB Cc1ccc(OCc2nnc(S[C@H](C)C(=O)Nc3nnc(C)s3)n2C)c(C)c1 4736439 RPLOFLCIKDRDFQ-GFCCVEGCSA-N 418.548 3.290 0 40 HGAB COc1ccc(-c2noc(CN(C(C)C)S(=O)(=O)c3ccccc3)n2)cc1OC 4943752 LMTPTAOZOPJULH-UHFFFAOYSA-N 417.487 3.353 0 40 HGAB O=C(Nc1cc(S(=O)(=O)N2CCCCC2)ccc1O)c1cc2c(s1)CCC2 4949579 NDUTYSKPJYYANC-UHFFFAOYSA-N 406.529 3.369 0 40 HGAB CC1=C(C(=O)OC[C@H]2CCCO2)[C@H](c2ccccc2C(F)(F)F)n2ncnc2N1 4987208 OKGHPWRKHUJLOL-WBMJQRKESA-N 408.380 3.308 0 40 HGAB COc1ccc(-c2cn3c(CC(=O)Nc4ccccc4C(N)=O)csc3n2)cc1 5146900 CDDNPUNEQNRYLK-UHFFFAOYSA-N 406.467 3.352 0 40 HGAB CCCN1C(=O)N(CCC)C(=O)C2(Cc3c(Cl)cccc3N3CCC[C@H]32)C1=O 5206531 VOPFKIRGXGKNSL-KRWDZBQOSA-N 403.910 3.462 0 40 HGAB C/C=C/C(=O)NC(=S)Nc1ccc(C(=O)OC[C@@H]2CCCN3CCCC[C@H]23)cc1 5382348 YOFAPUFLMRDWOE-NQXWNHLPSA-N 415.559 3.497 0 40 HGAB O=S(=O)(c1ccccc1)[C@@]1([C@]2(S(=O)(=O)c3ccccc3)CCN=N2)CCN=N1 5812522 VVNMPAFXHDPBIP-QZTJIDSGSA-N 418.500 3.039 0 40 HGAB O=C(CSc1c(Cl)cccc1Cl)NN1C(=O)NC2(CCCCC2)C1=O 6000359 TUDNIFXQPYRHKP-UHFFFAOYSA-N 402.303 3.371 0 40 HGAB COc1ccc(C(=O)Oc2cccc(Cl)c2Cl)cc1S(=O)(=O)N(C)C 7264712 BBWMQTCEGWWFHT-UHFFFAOYSA-N 404.271 3.472 0 40 HGAB CCOC(=O)c1c(C)oc2ncn(Cc3cc(=O)oc4cc(C)c(C)cc34)c(=O)c12 7553711 VUEHMUIPIIEUKW-UHFFFAOYSA-N 408.410 3.246 0 40 HGAB CCOc1ccc2nc(N[C@](NC(=O)CC)(C(=O)OC)C(F)(F)F)sc2c1 9087770 IAPUWMMVMPOVSB-OAHLLOKOSA-N 405.398 3.065 0 40 HGAB COc1ccc(OCc2nnc(SCC(=O)Nc3ccc(F)cc3F)n2C)cc1 9263536 HYMBQVHYAHQPOQ-UHFFFAOYSA-N 420.441 3.412 0 40 HGAB O=C(CSc1nnc(C2CC2)n1-c1ccccc1)NC[C@H]1COc2ccccc2O1 9353530 ALTRPFAPCKXNBG-KRWDZBQOSA-N 422.510 3.193 0 40 HGAB O=C(Cc1ccc2c(c1)OCCO2)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 9632278 NQDDYCQAJMWOTF-UHFFFAOYSA-N 422.403 3.494 0 40 HGAB CCS(=O)(=O)c1ccc(-c2ccc(NC(=O)Cc3ccc(OC)cc3)cc2)nn1 9787031 WRZGOEBPLIIHQR-UHFFFAOYSA-N 411.483 3.127 0 40 HGAB COc1cn(-c2ccccc2)nc1C(=O)OCC(=O)Nc1ncc(Cl)cc1Cl 9795701 KYKOJUFATIIAJJ-UHFFFAOYSA-N 421.240 3.378 0 40 HGAB Cc1cccc(Cn2c(=O)c3c(nc4n3CCN4c3ccc(C)cc3C)n(C)c2=O)c1 10104796 JFNYNLBLVZUOIS-UHFFFAOYSA-N 415.497 3.022 0 40 HGAB C[C@@H]1CCCN(C(=O)COC(=O)c2c(NC(=O)c3ccco3)sc3c2CCC3)C1 10937184 PLVKYTUALOVIBI-CYBMUJFWSA-N 416.499 3.497 0 40 HGAB CC(C)N(C)S(=O)(=O)c1cccc(C(=O)Nc2cccc(N3CCCC3=O)c2)c1 11916431 IVXLRDUQECYBOY-UHFFFAOYSA-N 415.515 3.095 0 40 HGAB CCOC(=O)[C@@H]1CCCN(Cc2nc(-c3ccc(-c4ccnc(C)n4)cc3)no2)C1 12275267 OHZNVVSSKMEGRK-GOSISDBHSA-N 407.474 3.277 0 40 HGAB O=C(Cn1nnc2ccccc21)c1ccc2c(c1)CCN2S(=O)(=O)c1ccccc1 12326878 NBNSERZGDGRHFJ-UHFFFAOYSA-N 418.478 3.066 0 40 HGAB O=C(CSc1nnc(NC[C@H]2CCCO2)s1)Nc1ccccc1N1CCCC1 12514630 YUQKPVHVZSRMQK-CQSZACIVSA-N 419.576 3.460 0 40 HGAB CCCN(Cc1ccc(C)cc1)C(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 12795775 WGIRTMWUPYAVNC-UHFFFAOYSA-N 416.543 3.068 0 40 HGAB O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCC[C@@H]1c1nnc2ccccn12 12890948 JFDNNFIVGNLPSA-CQSZACIVSA-N 412.393 3.154 0 40 HGAB CCOC(=O)c1ccsc1NC(=O)COc1ccc(/C=C/C(=O)OC)cc1OC 12900316 WMLYPJVCKLQRQX-SOFGYWHQSA-N 419.455 3.137 0 40 HGAB COc1ccc(N2C[C@@H](C(=O)Nc3nc4c(s3)C[C@@H](C)CC4)CC2=O)cc1OC 12907071 ZJASDINSQMFBHY-STQMWFEESA-N 415.515 3.277 0 40 HGAB C[C@H](OC(=O)[C@@]12CCC(=O)N1c1ccccc1S2)C(=O)NCC1CCCCC1 12909253 UBZQQCLBPXZHJN-QKKBWIMNSA-N 402.516 3.244 0 40 HGAB COc1ccc(-c2nc(NC(=O)CN3C(=O)[C@@H]4CCCC[C@H]4C3=O)sc2C)cc1 13070967 NXOYYBFWXUGYIA-HZPDHXFCSA-N 413.499 3.241 0 40 HGAB COc1ccc(CN2CCN(C(=O)Nc3ccc(F)cc3)CC2)c(OC)c1OC 14239739 AYNQNFDSYYAHEC-UHFFFAOYSA-N 403.454 3.201 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCSc3ccccc3)CC2)cc1 15136878 RTQDYDPEXOITER-UHFFFAOYSA-N 418.584 3.304 0 40 HGAB C[C@@H](Oc1ccc2ccccc2c1)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 15335196 PNPNTXZORRJMRC-GOSISDBHSA-N 424.522 3.140 0 40 HGAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)C2=Cc3cc(OC)ccc3OC=C2)c1 15838769 QXWGCVMYLHEDEN-UHFFFAOYSA-N 409.394 3.197 0 40 HGAB CC(=O)Nc1ccc(NC(=O)Cc2csc(NC(=O)NC3CCCC3)n2)cc1 16890472 CZDDUSRXEJULIX-UHFFFAOYSA-N 401.492 3.347 0 40 HGAB CC[C@]1(C)Cc2c(sc3c2[C@@H](N)NC(SCC(=O)N2CCCCC2)=N3)CO1 17945402 MORBRIGSHHLQON-QFBILLFUSA-N 408.593 3.283 0 40 HGAB COc1ccc(-c2nc(C(=O)OCC(=O)c3ccc(O)cc3O)cs2)cc1OC 18349681 WUVLCJPNVCFYMG-UHFFFAOYSA-N 415.423 3.278 0 40 HGAB CSc1ccccc1NC(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 19164154 UIWCEBJFEFQWHM-UHFFFAOYSA-N 415.540 3.208 0 40 HGAB Cc1nc(C)n(CC(=O)N[C@H](CCc2ccccc2)c2ccc3c(c2)OCCO3)n1 19285774 DSNKBAWRHXLZOB-HXUWFJFHSA-N 406.486 3.156 0 40 HGAB O=C(CC[C@H]1CCCO1)NCc1ccc(-c2ccnc3nc(C(F)(F)F)nn23)cc1 19334552 ZXUZQMQSDBDZJU-OAHLLOKOSA-N 419.407 3.386 0 40 HGAB Fc1ccccc1OCCN1CCC[C@@H]([C@@H]2C[C@H](C(F)(F)F)n3ncnc3N2)C1 19368129 IYWNOGBPUAYTJT-UKPHBRMFSA-N 413.419 3.496 0 40 HGAB CC(C)[C@H](NC(=O)CCc1ccncc1)c1cc(N(C)C)nc(-c2ccncc2)n1 19445689 MDASTBGXQOKHDN-QFIPXVFZSA-N 404.518 3.446 0 40 HGAB COCC(=O)N1CC[C@](Cc2cccc(-c3ccc(F)cc3)c2)(C(=O)NC(C)C)C1 19449237 WHTLBNLPGDFUPU-XMMPIXPASA-N 412.505 3.425 0 40 HGAB CCC(=O)N1CCO[C@@](Cc2ccccc2-c2ccc(F)cc2)(C(=O)NC2CC2)C1 19498984 WYOCRAOQLAXEHS-XMMPIXPASA-N 410.489 3.321 0 40 HGAB CCn1cc(C(=O)N2CCC[C@@H](c3cc4nc(C(F)(F)F)ccc4c(=O)[nH]3)C2)cn1 19524865 UZXGTAMWEUVQND-GFCCVEGCSA-N 419.407 3.178 0 40 HGAB Cc1nc([C@@H]2CCCN2C(=O)c2cnn(C)c2C)ncc1C(=O)Nc1ccccc1 19755528 MGONJYDOBARLSN-IBGZPJMESA-N 404.474 3.057 0 40 HGAB CCOc1cc(CN2CCN(C(=O)COc3ccc(Cl)cc3)CC2)ccc1OC 20130162 SUXJRVSLQFKACE-UHFFFAOYSA-N 418.921 3.471 0 40 HGAB O=C(NCC1CCN(Cc2ccccc2)CC1)C(=O)Nc1ccc(F)c(Cl)c1 23127436 HKVCWIIVQDVLJO-UHFFFAOYSA-N 403.885 3.446 0 40 HGAB O=C(c1cccs1)N1CCN(Cc2cc3c(cc2Br)OCCO3)CC1 23260153 QMUKUQDKWAZREC-UHFFFAOYSA-N 423.332 3.240 0 40 HGAB CSCC[C@H](NC(=O)c1ccccc1)C(=O)NCCOc1ccc(C)cc1C 23961218 JKCZUKUYPVICBZ-IBGZPJMESA-N 400.544 3.350 0 40 HGAB O=C(c1cn(Cc2ccccc2Cl)nc1-c1ccccc1)N1CCN(CCO)CC1 25637998 MBQNGOGLLKGOTO-UHFFFAOYSA-N 424.932 3.002 0 40 HGAB CN(C)S(=O)(=O)c1ccc(OCC(=O)NC(c2ccccc2)c2ccccc2)cc1 28207368 VBISAPODLKOZEF-UHFFFAOYSA-N 424.522 3.222 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N[C@H](C)c2ccccc2)c(C)c1 28207622 OCHMCFOHJKZUKT-QGZVFWFLSA-N 404.532 3.282 0 40 HGAB CCN1C(=O)C(=O)N(CC(=O)N2c3ccccc3Sc3ccc(Cl)cc32)C1=O 31706815 IZSMSDUGRCBHFE-UHFFFAOYSA-N 415.858 3.280 0 40 HGAB COc1ccc(CN(C)S(=O)(=O)c2ccc(OC)c(Br)c2)cc1 32794612 KMVSJBUGMUPCRW-UHFFFAOYSA-N 400.294 3.287 0 40 HGAB CC(C)[C@H](NC(=O)CCn1ncc(=O)c2ccccc21)c1ccc2c(c1)OCCO2 32820227 QUFQMCNLRNMVTQ-QHCPKHFHSA-N 407.470 3.071 0 40 HGAB O=C(CN1CCN(c2ccc(O)cc2)CC1)NC(c1ccccc1)c1ccccc1 36259505 SONXNFPQGJNSEO-UHFFFAOYSA-N 401.510 3.420 0 40 HGAB Cc1nn(-c2ccccc2)c(C)c1CNC(=O)C[C@@H](NC(N)=O)c1ccccc1F 36394961 NCGUTTCJNARWKO-HXUWFJFHSA-N 409.465 3.044 0 40 HGAB C[C@H](OC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)C(=O)c1ccccc1 39566219 XKMMFUZHEWYDFQ-HNNXBMFYSA-N 419.474 3.041 0 40 HGAB O=C1C[C@H](C(=O)Nc2ccccc2Cl)c2c(nc(Nc3ccccc3)[nH]c2=O)N1 40267230 YVUQAQDNLYXGAZ-LBPRGKRZSA-N 409.833 3.231 0 40 HGAB COc1cccc([C@@H](CNC(=O)c2cc(-c3ccccc3)on2)N2CCOCC2)c1 42381958 WRJWTFFMDAUDSG-OAQYLSRUSA-N 407.470 3.154 0 40 HGAB Cc1cc(CN2CCC(CNC(=O)C(=O)NCCC3=CCCCC3)CC2)c(C)o1 43941097 JWNOHCPQHUNIKI-UHFFFAOYSA-N 401.551 3.231 0 40 HGAB O=C(Nc1ccccc1)[C@@H]1CCCN(C(=O)Nc2nnc(-c3ccccn3)s2)C1 47790648 LWQTUPJZDPNDOE-CQSZACIVSA-N 408.487 3.483 0 40 HGAB CCN([C@H]1CCN([C@@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc2c(c1)C(=O)OC2 48235342 ZRNZAWGGLVDCSL-LPHOPBHVSA-N 414.527 3.203 0 40 HGAB O=C(NCCC1=CCCCC1)c1ccc(Cn2c(=O)[nH]c3ccccc3c2=O)cc1 49422320 JBOWIHCNGFCVIG-UHFFFAOYSA-N 403.482 3.358 0 40 HGAB CCOc1c(Br)cc(Br)cc1CNCC(=O)N1CCCC1 58007995 OMUOQFVYQQBNGR-UHFFFAOYSA-N 420.145 3.322 0 40 HGAB COC(=O)Cc1ccc(NC(=O)Cn2c(-c3ccc(F)cc3)c(C)sc2=O)cc1 58292358 PTIUNWLWQVDSAG-UHFFFAOYSA-N 414.458 3.379 0 40 HGAB CC(C)c1cc(-c2nn3c(CN4CCN(c5ccccc5)CC4)nnc3s2)n[nH]1 67239770 CXXXSRAUPVYXSG-UHFFFAOYSA-N 408.535 3.022 0 40 HGAB COc1ccc(C2(c3nnc(-c4cccc(S(C)(=O)=O)c4)o3)CCOCC2)cc1 71889936 TZWYTQIXAUHFRZ-UHFFFAOYSA-N 414.483 3.245 0 40 HGAB Cc1cc(Nc2cccc([C@@H]3CCCN(C(=O)c4n[nH]c5c4CCCC5)C3)n2)[nH]n1 72382897 NQYFSMABIYGQFF-OAHLLOKOSA-N 405.506 3.478 0 40 HGAB CON(C)S(=O)(=O)c1cccc(C(=O)N[C@@H]2c3cccc(F)c3CC[C@H]2C)c1 79024635 XDBYJKYWILJGEV-YJYMSZOUSA-N 406.479 3.061 0 40 HGAB CN(Cc1nccn1CC(F)(F)F)C[C@H]1C(=O)Nc2cc(Br)ccc21 95467798 FDPNFVAZXKZZJI-GFCCVEGCSA-N 417.229 3.376 0 40 HGAB CO[C@@H]1CCN(CC(=O)Nc2cccc(Cl)c2)[C@@H](CNC(=O)OC(C)(C)C)C1 96006543 NKDNGLRTAMQACO-IAGOWNOFSA-N 411.930 3.283 0 40 HGAB CN1CCN(c2ccc(NC(=O)[C@@H]3CCCN(Cc4ccc(F)cc4)C3)cc2)CC1 96627717 AOXCHFOIRZBGRD-HXUWFJFHSA-N 410.537 3.428 0 40 HGAB CCn1cc(CN2[C@@H]3CC[C@@H]2CC(O)(Cn2nc(C)ccc2=O)C3)c2ccccc21 100737908 PFVTWCGJXWLOCF-WOJBJXKFSA-N 406.530 3.084 0 40 HGAB COc1ccc([C@@H]2C=C(C(=O)O)Nc3c(C(=O)Nc4cccc(OC)c4)cnn32)cc1 102810663 SUHBFUFYVFYRQI-IBGZPJMESA-N 420.425 3.136 0 40 HGAB COC(=O)[C@@H]1[C@H](C(=O)O)[C@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl 102911238 QKWFVUXZTLJYQY-HVWMNJJVSA-N 402.872 3.322 0 40 HGAB COc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)cc(Cl)c1O 106757706 JZQRHPNZORFGLS-ZROIWOOFSA-N 410.879 3.103 0 40 HGAB COc1ccc([C@H](C)NC(=O)[C@H](C)N(c2cc(C)ccc2OC)S(C)(=O)=O)cc1 220347140 TWVSNPGFGLVWDY-HOTGVXAUSA-N 420.531 3.044 0 40 HGAB COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)N[C@H]2C[C@H]3CC[C@@H]2C3)cc1OC 223693607 SEVVNTCANDCEPN-FKCDGQTKSA-N 410.470 3.373 0 40 HGAB COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1Cc1ccco1 223718286 PAHNFAFMWQCXHW-LEWJYISDSA-N 424.526 3.450 0 40 HGAB COC(=O)c1cc(S(=O)(=O)NCCOc2ccccc2C(C)(C)C)ccc1C 223733577 ZNJLXFOITDYMJH-UHFFFAOYSA-N 405.516 3.436 0 40 HGAB CCC(=O)Nc1nnc(S(=O)(=O)N[C@@H](c2ccccc2)c2cccc(C)c2)s1 223874044 HQMKKSBPSVMTSZ-KRWDZBQOSA-N 416.528 3.263 0 40 HGAB CCOc1ccccc1NC(=O)[C@@H](CC)Oc1ccc(N(C)S(C)(=O)=O)cc1 223933449 LCTUDZPQXODXAQ-GOSISDBHSA-N 406.504 3.277 0 40 HGAB COc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)N3CCCCC3)cc2)cc1 224436153 OISFPXNDIOTYJR-UHFFFAOYSA-N 402.516 3.142 0 40 HGAB Cc1ccc(-c2nnc(NC(=O)CN(c3cccc(F)c3)S(C)(=O)=O)s2)cc1 224636337 JGIBZVKZRKXPBF-UHFFFAOYSA-N 420.491 3.057 0 40 HGAB C[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCSC1CCCCC1 224966781 HPDPNRQKDCXLFM-OAHLLOKOSA-N 414.593 3.032 0 40 HGAB COc1cccc(CN(C(=O)COc2ccc(F)cc2)[C@H](C)C(=O)NC(C)C)c1 225665141 SIFAULCNQSTGJR-MRXNPFEDSA-N 402.466 3.155 0 40 HGAB COc1ccccc1[C@@H](C)NC(=O)c1ccc(CS(=O)(=O)N2CCCC2)cc1 225756812 YAMBGKNUSDRHOS-MRXNPFEDSA-N 402.516 3.112 0 40 HGAB CCOC(=O)C1=C(CN(C)[C@H]2CCCc3ccccc32)NC(=O)N[C@H]1c1ccco1 245237334 JVIBEVQYMAWWOF-RXVVDRJESA-N 409.486 3.460 0 40 HGAB CCN(CC)CCCNC(=O)[C@H]1C[C@H]2CC[C@@]1(C)C[C@@]21NC(=O)c2ccccc2O1 253596724 VIWJNFNGKJEOIV-DQHAIFDPSA-N 413.562 3.180 0 40 HGAB O=C1NCC2(C/C=C/CCOc3ccccc31)CCN(C(=O)C1CCOCC1)CC2 257312576 UOOZUHAKVRNCQD-DAFODLJHSA-N 412.530 3.181 0 40 HGAB Cc1nc2cc([C@H]3CCN(Cc4cccnc4)C3)nn2c(C)c1CCC(=O)NC(C)C 257324424 WOPXWALAEDJETE-FQEVSTJZSA-N 420.561 3.188 0 40 HGAB Cc1nc([C@@H]2CCCN(C(=O)C3CC3)C2)nc(C)c1CC(=O)NCc1ccc(F)cc1 257334636 YGSXLPWJOPUGDQ-LJQANCHMSA-N 424.520 3.207 0 40 HGAB CC(C)n1cc(CN2C[C@@H]3c4cc(-c5cccnc5)ccc4S(=O)(=O)[C@H]3C2)cn1 306131179 JYFAAZOPCFRDAU-IRLDBZIGSA-N 408.527 3.281 0 40 HGAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccc(F)cc2)cc1Cl 408608812 SKHYRMGZHWKGHU-NSHDSACASA-N 400.859 3.183 0 40 HGAB Cc1ccc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)cc1C(=O)N1CCOCC1 408625353 SFEOUKZUGKAHLQ-UHFFFAOYSA-N 412.870 3.061 0 40 HGAB CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(s/c(=C\c3ccccc3C)c2=O)=N1 409034720 IEACAEXHQNIATG-PHJXOXRPSA-N 418.518 3.107 0 40 HGAB O=C(CN1C(=O)N/C(=C/c2cccc(C(F)(F)F)c2)C1=O)Nc1ccccc1F 409211402 NCXJZEICMFOTAT-OQLLNIDSSA-N 407.323 3.376 0 40 HGAB O=C(COc1ccc2c(c1)OCO2)N1CCCC2=C[C@@H]3C[C@@H](CN4CCCC[C@H]34)[C@@H]21 409415145 VBSIUGOTPKTTKF-DSPLJNTKSA-N 410.514 3.216 0 40 HGAB O=C1COc2cccc(OCc3nc(-c4ccc(Br)s4)no3)c2N1 539247868 APYVHHWLJSYCQR-UHFFFAOYSA-N 408.233 3.471 0 40 HGAB O=C(NC[C@](O)(c1ccccc1)C1CCOCC1)c1ccccc1Br 575610792 AQGJVYFYGAMVKV-FQEVSTJZSA-N 404.304 3.493 0 40 HGAB COC(=O)c1cc(NC(=O)N[C@H]2CCN(c3ncccc3F)C2)cc(Cl)c1F 576087833 VORLAZFEUVQGCI-JTQLQIEISA-N 410.808 3.200 0 40 HGAB C[C@H]1CCCN(Cc2ccccc2CNC(=O)CNC(=O)c2ccc3c(c2)CCC3)C1 589689110 WSPIHQLYCQHLIH-IBGZPJMESA-N 419.569 3.453 0 40 HGAB CCC(=O)N1CCCN(CC(C)C)CCCN(C(=O)COC)c2ccc(F)cc2C1 643573272 XFVHGTCSQBDUKQ-UHFFFAOYSA-N 421.557 3.296 0 40 HGAB Cc1ccc(CC2CCN(C(=O)c3ccc([C@]4(C)NC(=O)NC4=O)cc3)CC2)cc1C 646534662 XQBILKWLCKQQCR-VWLOTQADSA-N 419.525 3.453 0 40 HGAB COc1ccc(C2(CNC(=O)[C@@H]3CCCCN3Cc3cccnc3)CCOCC2)cc1 1116025643 ONPOTXOEPSGXCS-QHCPKHFHSA-N 423.557 3.309 0 40 HGAB CCOc1ccccc1NC(=O)CSc1nnc(-c2ccccc2Cl)n1N 2265604 CPZVZKIWCIIZTQ-UHFFFAOYSA-N 403.895 3.442 0 40 HGAB CCSc1nnc(NC(=O)CSc2nnc(-c3ccc(OC)cc3)o2)s1 2654558 ASSKTUBJZXVMHT-UHFFFAOYSA-N 409.518 3.440 0 40 HGAB COc1ccc(C(=O)OCC(=O)Nc2ncc(Cl)cc2Cl)c(OC)c1OC 3258972 VXWRYOGAJPADHG-UHFFFAOYSA-N 415.229 3.210 0 40 HGAB NC(=O)c1ccc(NC(=O)CSc2nnc(COc3ccccc3Cl)o2)cc1 3364849 GATMHPIYJGSDQJ-UHFFFAOYSA-N 418.862 3.132 0 40 HGAB Cc1ccc(-n2c(SCC(=O)N3CCCC3=O)nc3ccccc3c2=O)cc1C 3514610 KSKFPBBJCYIKGK-UHFFFAOYSA-N 407.495 3.244 0 40 HGAB CN(C(=O)CN1C(=O)N[C@@](C)(c2ccc(Cl)cc2Cl)C1=O)c1ccccc1 3595113 VPDZADUHYNWXLM-IBGZPJMESA-N 406.269 3.423 0 40 HGAB O=C(Nc1ccc2c(c1)OCO2)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 3597826 CYGFABXQLCHNKS-UHFFFAOYSA-N 408.863 3.106 0 40 HGAB O=C(NCCc1ccccc1)C(=O)NC[C@@H](c1cccs1)N1CCc2ccccc21 4305749 BRDRWNCDICMVCT-NRFANRHFSA-N 419.550 3.327 0 40 HGAB O=C(CN(C(=O)CNC(=O)c1cccs1)c1cccc(F)c1)NC1CCCCC1 4875787 QQAGXUVGTRATMD-UHFFFAOYSA-N 417.506 3.099 0 40 HGAB C[C@H](C(=O)N[C@@H](C(=O)NC1CCCCC1)c1ccc(F)cc1)n1nc2ccccc2n1 4966815 YFSOGJAWEFJJBH-QVKFZJNVSA-N 423.492 3.438 0 40 HGAB COCCCn1c(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc2c(=O)n3cccc(C)c3nc21 5321398 WTBSKPDEJDSEPG-HZPDHXFCSA-N 410.518 3.112 0 40 HGAB CC(C)CCNC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O 6325670 MZYAFKDHIAIVJK-UHFFFAOYSA-N 400.850 3.287 0 40 HGAB Cc1ccc(C(=O)NC(=S)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 6390598 OKKKLKLHBJQWHO-UHFFFAOYSA-N 417.556 3.296 0 40 HGAB Cc1ccc(CNC(=O)CCc2nnc3n(CC(C)C)c(=O)c4ccccc4n23)cc1 6803163 RTKGDSQKBUSOKG-UHFFFAOYSA-N 417.513 3.258 0 40 HGAB Cc1cc(C)c2c(CC(=O)N(Cc3ccco3)[C@@H]3CCS(=O)(=O)C3)coc2c1 6809850 BNQSWPLXVATPCX-QGZVFWFLSA-N 401.484 3.401 0 40 HGAB O=C(CSc1nccn1-c1cccc(F)c1)N1CCN(c2ccc(O)cc2)CC1 7121246 OFQYWFRZXSXGJM-UHFFFAOYSA-N 412.490 3.158 0 40 HGAB CN(Cc1ccccc1F)C(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 7265736 DHIVENDRRMQMBE-UHFFFAOYSA-N 408.470 3.024 0 40 HGAB CC(=O)Nc1cccc(NC(=O)CCCN(c2ccc(C)cc2)S(C)(=O)=O)c1 8041777 AXDYTLASZVKWQA-UHFFFAOYSA-N 403.504 3.138 0 40 HGAB O=C(NC[C@@H]1COc2ccccc2O1)c1ccc(OCc2cn3ccccc3n2)cc1 8131335 KDAVFCKQMCQEHZ-HXUWFJFHSA-N 415.449 3.483 0 40 HGAB CN(Cc1ccccc1F)C(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1 8305514 BBFDUXZQYPCPCG-UHFFFAOYSA-N 400.475 3.258 0 40 HGAB CCCC[C@@H](C(=O)OCC(=O)Nc1cccc(C)c1)N1C(=O)c2ccccc2C1=O 8411256 LMULEFFCZIVPPG-IBGZPJMESA-N 408.454 3.332 0 40 HGAB Cc1sc2ncnc(N[C@H](C)C(=O)N(C)Cc3nc4ccccc4c(=O)[nH]3)c2c1C 8709532 OWDXLUSMFKAXAH-GFCCVEGCSA-N 422.514 3.004 0 40 HGAB Cc1ccc(CN2C(=O)NC3(CCN(C(=O)/C=C/c4ccccc4)CC3)C2=O)cc1 11694071 NHHQQBBVHKLPRA-VAWYXSNFSA-N 403.482 3.121 0 40 HGAB Cc1ccc(NC(=O)[C@@H](C)N2CCC(NS(=O)(=O)c3cccs3)CC2)c(C)c1 11719556 XWIFJRJDBBQPLJ-MRXNPFEDSA-N 421.588 3.135 0 40 HGAB O=C(Nc1nc(CCC(=O)N2CCN(c3ccccn3)CC2)cs1)c1ccccc1 11835037 GMKDHOWWCCJWEL-UHFFFAOYSA-N 421.526 3.072 0 40 HGAB COc1ccc([C@@]2(O)CC[C@@H]3CN(C(=O)c4cc(-c5ccc(C)o5)n[nH]4)C[C@@H]32)cc1 12087678 SQBJYUVWGAQEBT-TWWFPWMWSA-N 407.470 3.357 0 40 HGAB Cc1cccc(-n2c(SCc3nnc(-c4ccco4)o3)nnc2N2CCOCC2)c1 12543723 OXBMNNZRUVNVGA-UHFFFAOYSA-N 424.486 3.348 0 40 HGAB O=C1C[C@H](C(=O)Nc2ccc(I)cc2)c2ccc(F)cc2N1 12766578 TYZRSRHOJCKRMM-ZDUSSCGKSA-N 410.186 3.495 0 40 HGAB COC(=O)c1ccc(OCC(=O)N(C)Cc2c(F)cccc2Cl)c(C(=O)OC)c1 12984470 KBJIQSBQDKVDRO-UHFFFAOYSA-N 423.824 3.090 0 40 HGAB Cc1nn(C)c(C)c1/C=C/C(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 13096027 JFSQQOYRCSBJMO-OUKQBFOZSA-N 416.547 3.254 0 40 HGAB O=c1c2cnc(N3CCOCC3)nc2ccn1CCc1c[nH]c2ccc(Cl)cc12 13638647 VTAMQUZCRPUPST-UHFFFAOYSA-N 409.877 3.006 0 40 HGAB O=C(NC1CCCC1)c1ccccc1NC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 14423985 PTDWQCREGUOWES-SFHVURJKSA-N 405.498 3.346 0 40 HGAB CCOc1c(Br)cc(C(=O)Nc2ccc(-n3cnnn3)cc2)cc1OC 15645373 FQBVTHPLHJCIHY-UHFFFAOYSA-N 418.251 3.084 0 40 HGAB COc1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1S(=O)(=O)N(C)C 16163226 MYVJMAZPWMZRIN-UHFFFAOYSA-N 402.394 3.217 0 40 HGAB Cc1cccc2c(=O)[nH]c(COC(=O)Cc3cc(Cl)c4c(c3)OCCCO4)nc12 17258390 ADUPZDFBWGYQPT-UHFFFAOYSA-N 414.845 3.332 0 40 HGAB O=C(N[C@@H](Cc1cc(=O)[nH]c(-c2ccccn2)n1)c1ccc(F)cc1)c1cscn1 19402951 JXJDVZDGIXYQPA-KRWDZBQOSA-N 421.457 3.141 0 40 HGAB COc1ccc(-n2ncc(C(=O)[C@H]3CCCN(C(=O)Cc4ccccc4)C3)c2N)cc1 19558657 ZSZHTIDWYZEUGH-SFHVURJKSA-N 418.497 3.127 0 40 HGAB Cc1cc(C)c2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)N3CCOCC3)cc2c1 19568121 LTOHITKDOXNFDF-OAQYLSRUSA-N 422.533 3.058 0 40 HGAB COc1ccc(N([C@@H](C)C(=O)N(C)Cc2ccc(C)cc2)S(C)(=O)=O)cc1Cl 20112607 NADDHMKHRFUMDG-HNNXBMFYSA-N 424.950 3.470 0 40 HGAB Cc1cccc(CCCNC(=O)[C@H]2CCCN(S(=O)(=O)c3cccs3)C2)c1 20112641 ABIWOUCNBGOJOY-SFHVURJKSA-N 406.573 3.206 0 40 HGAB COc1ccc(CCCNS(=O)(=O)c2ccc(N3CCCC3=O)c(C)c2)cc1 20453741 FUVOEGDKCMFQJI-UHFFFAOYSA-N 402.516 3.042 0 40 HGAB O=C(COc1ccccc1)N(CCN1CCOCC1)c1nc2c(F)cccc2s1 20742927 OHSQTIDSVQXSJD-UHFFFAOYSA-N 415.490 3.180 0 40 HGAB CCOc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccc(C)c(C)c3)CC2=O)cc1 21094125 WBVSIJVTYIWMEY-QGZVFWFLSA-N 410.470 3.237 0 40 HGAB CCCn1c(S[C@H](C)C(=O)NC[C@H]2CCCO2)nc2sc3c(c2c1=O)CCC3 21357874 UQOZRCCWTLKLJN-CHWSQXEVSA-N 421.588 3.133 0 40 HGAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)CCNC(=O)Nc1ccc(OC)cc1 21898343 GUXNVRZCUTXJSL-OAHLLOKOSA-N 412.490 3.374 0 40 HGAB COc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2c(C)cccc2C)c1 22229731 CALMWIZBNVWLNR-GOSISDBHSA-N 402.516 3.412 0 40 HGAB CCCNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(OCC)c(Cl)c1 22269271 HKTPWVNNNAZTGK-SFHVURJKSA-N 424.950 3.155 0 40 HGAB COc1ccc(OCCN2CCN(CC(=O)c3c(C)[nH]c4ccccc34)CC2)cc1 22357595 VZAISGMTCJHBPE-UHFFFAOYSA-N 407.514 3.364 0 40 HGAB O=C(CN1CCN(Cc2ccc3c(c2)CCO3)CC1)Nc1cc(Cl)ccc1F 22806548 PLXURRAMRIXCMK-UHFFFAOYSA-N 403.885 3.170 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)Nc1ccc(C)cn1 23076236 AAZUNUGHJCORQR-UHFFFAOYSA-N 403.504 3.216 0 40 HGAB COc1cccc([C@H](CNC(=O)c2ccc(Br)cc2)N2CCOCC2)c1 23106023 QDBORNIPZCGZBB-IBGZPJMESA-N 419.319 3.261 0 40 HGAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3F)CC2)cc1 23652194 UZKRMYRMWHVKTR-UHFFFAOYSA-N 406.479 3.264 0 40 HGAB Cc1cc(C)nc(-n2nc(C)c(CC(=O)N3CCO[C@@H](c4ccc(F)cc4)C3)c2C)n1 24881128 NUCBZIMKHXHDNA-OAQYLSRUSA-N 423.492 3.178 0 40 HGAB COC(=O)c1ccc2[nH]c3c(c2c1)CN(C(=O)CSc1nc(C)cc(C)n1)CC3 25892378 RMPGMPPAUHOWHY-UHFFFAOYSA-N 410.499 3.038 0 40 HGAB COc1ccc(CSc2nnc(Nc3cc(C)ccc3C)c(=O)n2N)cc1OC 28535967 OCKNLXBBVGFECW-UHFFFAOYSA-N 413.503 3.022 0 40 HGAB COc1ccc(-c2nc(CC(=O)N[C@H](C(=O)O)c3ccccc3)cs2)cc1OC 30819265 HNCIVIJKXGXEGA-IBGZPJMESA-N 412.467 3.312 0 40 HGAB CCOC(=O)c1ccc(N2CCN(C(=O)Cc3ccc(Cl)cc3Cl)CC2)nc1 31565809 DXGXYSHTQGWASA-UHFFFAOYSA-N 422.312 3.456 0 40 HGAB O=C(C(c1ccccc1)c1ccccc1)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 33000017 KTVWAXQRUZRMEU-LEWJYISDSA-N 413.539 3.013 0 40 HGAB COC(=O)CCNC(=O)[C@H]1c2ccccc2C(=O)N(c2ccccc2)C12CCCC2 36357538 HAFXBBAOUHVJMK-OAQYLSRUSA-N 406.482 3.423 0 40 HGAB COc1ccc(-c2cc(C(=O)N[C@@H](C)Cn3ccc(C)n3)c3c(C)nn(C)c3n2)cc1 36613628 ARXCLZWZPMGDAC-HNNXBMFYSA-N 418.501 3.276 0 40 HGAB O=C(COC(=O)COc1ccc(F)cc1)Nc1cc(C2CC2)nn1-c1ccccc1 40057191 XAQSRRDHASBNSQ-UHFFFAOYSA-N 409.417 3.450 0 40 HGAB C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)Nc1ccc(OC(F)(F)F)cc1 40097088 GYRYRSCJHFAXKY-NSHDSACASA-N 417.409 3.458 0 40 HGAB CCC(CC)N(C(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1)C1CC1 40105137 RAJMADHYLVRJHO-HZPDHXFCSA-N 408.564 3.278 0 40 HGAB Cc1nc2nc(SCC(=O)NCCc3ccc(OC(F)F)cc3)nn2c(C)c1C 40119192 ZUHXWLSSNPIRPN-UHFFFAOYSA-N 421.473 3.102 0 40 HGAB Cc1ccc(C(=O)NC2CCN(C(=O)c3cn(-c4cccc(Cl)c4)nn3)CC2)cc1 49406176 GQVBHZSTMAZJMF-UHFFFAOYSA-N 423.904 3.264 0 40 HGAB CC(=O)c1ccc(S(=O)(=O)NC2CCN(Cc3ccc(F)c(F)c3)CC2)cc1 55649822 UHFPPMWAQRTDCI-UHFFFAOYSA-N 408.470 3.110 0 40 HGAB COc1cccc(C(=O)N2CCCN(C(=O)c3cccc(Br)c3)CC2)c1 55699549 IJZMNUQBRMDAMC-UHFFFAOYSA-N 417.303 3.446 0 40 HGAB CCc1ccc(S(=O)(=O)NCCN2CCN(c3ccc(Cl)cc3)CC2)s1 56997646 RUUNRNKKSZDKQU-UHFFFAOYSA-N 413.996 3.064 0 40 HGAB CC(C)CNC(=O)N1CCC[C@H](CC(=O)Nc2sccc2C(=O)NC2CC2)C1 72294647 JPFNBCKPZLJETI-CQSZACIVSA-N 406.552 3.047 0 40 HGAB COc1ccccc1CN1C(=O)Cc2c(C)nc([C@H]3CCCN3C(=O)C(C)C)nc21 72371887 OQBKIOXQPGMSJB-GOSISDBHSA-N 408.502 3.202 0 40 HGAB COCCC(=O)N1CCC[C@H]1c1nc(C)c2c(n1)N(Cc1ccccc1OC)CCC2 72373752 AGMCZMWZHYRQMH-FQEVSTJZSA-N 424.545 3.446 0 40 HGAB C[C@H]1CN(C(=O)C2CCN(CC(F)(F)F)CC2)[C@@H](C)CN1C(=O)OC(C)(C)C 95458816 WDHGYCBRDHLEEW-KBPBESRZSA-N 407.477 3.117 0 40 HGAB COc1cc(CC(=O)O)c(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)cc1OC 95929234 ZEDVQCIUCVXQSI-UHFFFAOYSA-N 419.377 3.151 0 40 HGAB O=C1CCC[C@H]1[C@H]1COCCN1S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F 96006765 CWZRPWMBHVNMEY-WCQYABFASA-N 411.829 3.118 0 40 HGAB O=C1[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@H]2C(=O)N1CN(C(=O)C(F)(F)F)c1ccc(Cl)cc1 100395209 BMFUNSUHUHFQAF-GTDBDLECSA-N 424.806 3.246 0 40 HGAB CCc1cc(=O)oc2cc(OCC(=O)NC[C@H]3CC[C@H](C(=O)O)CC3)c(Cl)cc12 100767656 LJPREBXHNZWEQC-XBXGTLAGSA-N 421.877 3.395 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC[C@]3(C2)OC(=O)c2ccccc23)cc1Cl 211113538 RACAQFIZBRLEGI-LJQANCHMSA-N 407.875 3.199 0 40 HGAB CCOC(=O)c1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)c1C 219696062 KLUARJCBSGDOHH-UHFFFAOYSA-N 424.906 3.084 0 40 HGAB CCOc1ccc(CNC(=O)[C@H](C)N(c2ccc(CC)cc2)S(C)(=O)=O)cc1 220286021 OMEVHDDVBYDVBT-INIZCTEOSA-N 404.532 3.119 0 40 HGAB CC[C@H](NC(=O)CN(C)S(=O)(=O)c1ccccc1)c1ccc2c(c1)CCCC2 223139944 BIGUAONKWBYQBB-NRFANRHFSA-N 400.544 3.453 0 40 HGAB COc1ccc(F)cc1S(=O)(=O)Nc1ccccc1C(=O)NCc1ccco1 223690792 UNMCHAYQRPLURR-UHFFFAOYSA-N 404.419 3.158 0 40 HGAB CCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1ccc2c(c1)OCO2 223829755 VIQZWJFAYBRMSP-HNNXBMFYSA-N 400.450 3.040 0 40 HGAB O=C(NCC1=CCCCC1)C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1 224361759 ZEXDMHUYXUKMAF-UHFFFAOYSA-N 410.967 3.498 0 40 HGAB COc1ccc(CN(C(=O)COc2ccccc2F)[C@H](C)C(=O)NCC(C)C)cc1 224481339 DGIDEJQHLYKPEI-QGZVFWFLSA-N 416.493 3.403 0 40 HGAB CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1cccc(COC)c1 225187240 FUPVZKHGZINWFR-IBGZPJMESA-N 406.504 3.025 0 40 HGAB CCCn1c(=O)sc2cc(S(=O)(=O)NCc3ccccc3OCC)ccc21 225728665 BMYBKPZYFHZAKY-UHFFFAOYSA-N 406.529 3.350 0 40 HGAB C[C@]12CC[C@@](O)(CN3CC3)C[C@@H]1CC[C@H]1[C@H]2CC[C@@]2(C)[C@@H]1CC[C@@]2(O)CN1CC1 253530045 KDZDNXAVYMXPKT-PMSHULSDSA-N 402.623 3.123 0 40 HGAB O=C(COc1ccccc1F)NC[C@H]1CC[C@H](c2nnc(-c3cnccn3)o2)CC1 257211675 BZWUPUABZCDVKF-SHTZXODSSA-N 411.437 3.135 0 40 HGAB CCN(CC)S(=O)(=O)N1CCC(c2cc(Nc3ccccn3)cc(C)n2)CC1 257214549 CMKDGRIKPIKUBM-UHFFFAOYSA-N 403.552 3.295 0 40 HGAB CC(=O)N1[C@@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)c1cnccn1 257229455 FYEYKOAWTJEWFC-LYVDORBWSA-N 418.541 3.482 0 40 HGAB Cc1nc2c(C)cccc2cc1C(=O)N1CCC[C@H](CC(=O)NCCn2ccnc2)C1 257278886 OECDUPFQEUECGQ-LJQANCHMSA-N 419.529 3.107 0 40 HGAB NC(=O)C1(Cc2ccccc2-c2cccnc2)CCN(C(=O)c2ccncc2)CC1 257344548 ZXSXPXQIFZBHAO-UHFFFAOYSA-N 400.482 3.094 0 40 HGAB CC(=O)O[C@@H]1C[C@]2(C)[C@H](OC(C)=O)CC[C@@H]2[C@@H]2CC(=O)[C@@]3(O)CCCC[C@]3(C)[C@@H]21 257348313 DFIRLJQMOGCRHN-UXRVIMAOSA-N 406.519 3.186 0 40 HGAB CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NC(C)(C)C)C2)cc1Cl 408625366 SHGSTQKTKXDVQO-ZDUSSCGKSA-N 402.944 3.054 0 40 HGAB COc1cccc(NC(=O)COc2ccc(S(=O)(=O)N3CCCC3)cc2Cl)c1 409387676 AWTIEZVNGGBUIX-UHFFFAOYSA-N 424.906 3.151 0 40 HGAB CC1(C)CN(C(=O)Nc2cnn(Cc3ccc(Cl)cc3)c2)C[C@]2(CCOC2)O1 562408635 VIWMKOMFPBQDKG-FQEVSTJZSA-N 404.898 3.387 0 40 HGAB COc1ccc(CCNC(=O)N[C@H](CC(C)C)c2nnc3ccccn23)cc1OC 575443109 IWYGRIVOOHMRPR-QGZVFWFLSA-N 411.506 3.376 0 40 HGAB CC(=O)N1c2ccccc2C[C@H]1C(=O)NCc1nccn1CCCc1ccccc1 674365493 PTXSTAGYCSGOTG-QFIPXVFZSA-N 402.498 3.110 0 40 HGAB COc1ccccc1[C@@H]1CCCCN1C(=O)c1cc(S(N)(=O)=O)cc(C)c1C 676879276 PAFYTYKRQFXCTO-IBGZPJMESA-N 402.516 3.327 0 40 HGAB COc1ccc(-c2ncnc(N3CCN(Cc4nc(C(C)C)no4)CC3)c2F)cc1 1775971050 MCSWLVJDEDZAEQ-UHFFFAOYSA-N 412.469 3.120 0 40 HGAB C[C@@]1(C2CCN(Cc3ccccc3C(=O)O)CC2)CN(c2ccccc2)C(=O)CO1 1848356894 JYFKXQZDZFZAIX-DEOSSOPVSA-N 408.498 3.419 0 40 HGAB CN(CC1CCN(C(=O)NC[C@@H]2CCCO2)CC1)c1cc(C(F)(F)F)ccn1 1888864193 MYDNMWYERUOOAI-INIZCTEOSA-N 400.445 3.137 0 40 HGAB Cc1c(NS(=O)(=O)c2ccc(Br)cc2)c(=O)n(-c2ccccc2)n1C 799496 FLIBDYXZBXLFMW-UHFFFAOYSA-N 422.304 3.048 0 40 HGAB CCC(=O)Nc1cccc(NC(=O)Cn2c(-c3ccc(Cl)cc3)noc2=O)c1 1332608 JAVJRXPQNBKWEK-UHFFFAOYSA-N 400.822 3.144 0 40 HGAB CCCCNC(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2Cl)cc1 1794349 RRNMIAMYOVDJOZ-UHFFFAOYSA-N 409.895 3.380 0 40 HGAB Cc1nnc2sc(-c3ccccc3NC(=S)NC(=O)/C=C/c3ccco3)nn12 2326492 PQASDFJGQSCMOE-CMDGGOBGSA-N 410.484 3.281 0 40 HGAB COCCN1C(=O)c2ccc(C(=O)O[C@H](C)C(=O)c3ccc(Cl)cc3)cc2C1=O 2710262 NFIUIRCOKLSOJL-GFCCVEGCSA-N 415.829 3.011 0 40 HGAB O=C(COc1c(CO)cc(Br)cc1CO)N[C@@H]1CCCc2ccccc21 3344835 RTHFUKLZJBIHDQ-GOSISDBHSA-N 420.303 3.006 0 40 HGAB CC(=O)N[C@@H](CC(=O)OCc1cc(=O)n2c(n1)sc1ccccc12)c1ccccc1 3350448 IVOLPPKCRGQOFY-KRWDZBQOSA-N 421.478 3.220 0 40 HGAB COc1ccc(CCN2C[C@@H](C(=O)N[C@@H]3CCCc4ccccc43)CC2=O)cc1OC 3413777 ONCHBCXBLZWPMI-PZJWPPBQSA-N 422.525 3.289 0 40 HGAB Cc1ccc(Cn2nnc3c(SCC(=O)NCCc4ccccc4)ncnc32)cc1 4166382 ZMRGMQQGQPIUAU-UHFFFAOYSA-N 418.526 3.029 0 40 HGAB CCOc1ccccc1[C@@H]1C(C(N)=O)=C(C)N=C2N=C(c3cccc(Cl)c3)NN21 4279817 WVHNXOGCBIKEGJ-GOSISDBHSA-N 409.877 3.176 0 40 HGAB COc1ccccc1C(=O)Nc1nnc(SCC(=O)NCc2ccccc2)s1 4328245 HGMPUIGDSOCFEW-UHFFFAOYSA-N 414.512 3.208 0 40 HGAB CCOc1ccc(NC(=O)CSc2nnc(-c3ccc(OCC)cc3)n2N)cc1 5047453 KRHNRPKMDFLIOL-UHFFFAOYSA-N 413.503 3.187 0 40 HGAB CC(C)(C)c1cc(NC(=O)COC(=O)c2ccc(O)cc2O)n(-c2ccccc2)n1 5104156 WDFGQSFESCWPNT-UHFFFAOYSA-N 409.442 3.377 0 40 HGAB COC(=O)c1ccccc1NC(=O)CSc1nnc(COc2cccc(C)c2)o1 5294800 XVORMAZHPKFYRT-UHFFFAOYSA-N 413.455 3.474 0 40 HGAB NC(=O)C1CCN(Cn2nc(COc3ccccc3)n(-c3ccccc3)c2=S)CC1 5395176 VNQYQMXWWMOXKP-UHFFFAOYSA-N 423.542 3.137 0 40 HGAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)CCCOc1ccc(OC)cc1 5578907 ZQYKDYBDYGBTPX-UHFFFAOYSA-N 403.431 3.297 0 40 HGAB COC(=O)COc1ccc(S(=O)(=O)Nc2ccccc2Br)cc1C 6348454 CQAVDVGFPGQNPI-UHFFFAOYSA-N 414.277 3.110 0 40 HGAB CCCCn1nnc(NC(=S)NC(=O)c2ccc(OCc3ccccc3)cc2)n1 6890895 ZOMMEIPQGMJEGQ-UHFFFAOYSA-N 410.503 3.179 0 40 HGAB O=C(CSc1nnnn1C1CC1)Nc1ccccc1C(=O)Nc1ccc(F)cc1 8187705 IOFOZPWGDZNXRB-UHFFFAOYSA-N 412.450 3.130 0 40 HGAB CN(CC(=O)Nc1ccccc1Cl)C(=O)CCCn1c(=O)oc2ccccc21 8285136 BKJBVCLJIJDSJB-UHFFFAOYSA-N 401.850 3.125 0 40 HGAB NC(=O)COc1ccc(/C=C/C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc1 8369114 MPXPNWGWCNZWIF-HSSRVXSRSA-N 422.481 3.089 0 40 HGAB CCOc1ccc(NC(=O)CCCC(=O)OCC(=O)Nc2ccccc2OC)cc1 8433463 OEDRGACJBFWFAL-UHFFFAOYSA-N 414.458 3.385 0 40 HGAB O=C(N[C@H](C(=O)O)c1ccccc1)C1CCC(Cn2cnc3ccccc3c2=O)CC1 8518437 WXSZIXNPHTYLLB-IAYYMHMVSA-N 419.481 3.145 0 40 HGAB COC(=O)COc1cccc(NC(=O)c2cccc(I)c2)c1 8906747 CDELRNBMKXLXLV-UHFFFAOYSA-N 411.195 3.095 0 40 HGAB CC1CCN(C(=O)CSc2nc(-c3cc(Br)ccc3O)n[nH]2)CC1 9295428 JWSTZPJTQFFZFD-UHFFFAOYSA-N 411.325 3.290 0 40 HGAB CCc1cccc(OCC(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)c1 10215179 DSGKVZAGHPXKID-UHFFFAOYSA-N 410.470 3.234 0 40 HGAB C[C@]1(C(=O)Nc2ccc(C(=O)O)cc2)Cc2ccc(Br)cc2C(=O)O1 11666704 KCXOQCFUICLLNQ-GOSISDBHSA-N 404.216 3.258 0 40 HGAB COc1ccc(C2(C(=O)N3CCC(n4nc(-c5ccco5)ccc4=O)CC3)CC2)cc1 12129265 QYTXLEKRGHMGFA-UHFFFAOYSA-N 419.481 3.407 0 40 HGAB COc1cc(OC)c(OC)cc1CN1CCC(O)(Cn2ccc3ccncc32)CC1 12222549 UHNCJQGFYOUSOE-UHFFFAOYSA-N 411.502 3.089 0 40 HGAB CCC(CC)[C@@H](CNC(=O)c1cc(Br)ccc1F)N1CCOCC1 12748313 UOPGEVGZPGTXCU-QGZVFWFLSA-N 401.320 3.455 0 40 HGAB Cc1[nH]c(=S)[nH]c(=O)c1CCC(=O)Nc1nc(CN2CCC(C)CC2)cs1 12779618 JAKQYPBBYUGIPW-UHFFFAOYSA-N 407.565 3.001 0 40 HGAB CC(=O)c1cc2c(cc1NC(=O)CN1CCC[C@H]1c1ccc3c(c1)OCCO3)OCO2 12801221 BHALDFRKHJJJIF-SFHVURJKSA-N 424.453 3.165 0 40 HGAB Cc1cccc(C(C)C)c1NC(=O)CN(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 12975783 LYVPYVFRSCMLON-QGZVFWFLSA-N 404.532 3.339 0 40 HGAB Cc1ccc(-c2nnn(CC(=O)Nc3cc(F)ccc3OCC(F)(F)F)n2)cc1 12985416 ODKXDRQDFNDDOT-UHFFFAOYSA-N 409.343 3.367 0 40 HGAB CCOc1cc(/C=C(/C(=O)N2CCOCC2)c2nc3ccccc3[nH]2)ccc1OC 13100787 PEJYKLZRIQMXCE-SAPNQHFASA-N 407.470 3.370 0 40 HGAB Cc1c(CCC(=O)NCCc2nc(-c3ccccc3)no2)c(=O)oc2cc(O)ccc12 13628307 ZBDHKPCJVRCVGZ-UHFFFAOYSA-N 419.437 3.149 0 40 HGAB O=C(Nc1ccc2cc[nH]c2c1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 13720858 HENORUNJKBRYHR-UHFFFAOYSA-N 401.463 3.346 0 40 HGAB COc1ccc(C(=O)NCC23CC4CC(CC(C4)C2)C3)cc1S(=O)(=O)NC(C)C 14043446 KXIXXRCVRMNUKR-UHFFFAOYSA-N 420.575 3.328 0 40 HGAB Cc1ccc(NC(=O)CN(C)Cc2nc(=O)c3ccccc3[nH]2)c(Br)c1 15924440 GBVKCDTUGXIHLY-UHFFFAOYSA-N 415.291 3.065 0 40 HGAB Cc1c(CN2C[C@@H](c3cccc(F)c3)[C@@]3(COCCC(=O)N3)C2)[nH]c2ccccc12 19565946 AITRJBZREDJLJC-RDPSFJRHSA-N 407.489 3.490 0 40 HGAB Cc1cc(C)n([C@H](C)CC(=O)N2CCN([C@@H](c3ccccc3)c3nccn3C)CC2)n1 19572918 FTTYGMQIQRFWHG-OFNKIYASSA-N 420.561 3.118 0 40 HGAB COCCC(=O)N1CCCC[C@@H]1c1nc(C)c2c(n1)N(CC1CCOCC1)CCC2 19706592 HUECCJJFNJCFIU-HXUWFJFHSA-N 416.566 3.054 0 40 HGAB Cc1nn(C)cc1-c1csc(NC(=O)[C@H](c2ccc(F)cc2)N2CCOCC2)n1 19717170 GPFJTOFHYPNHDU-SFHVURJKSA-N 415.494 3.003 0 40 HGAB COc1ccc(CCCC(=O)N2CCC[C@@H]2c2nc(C)c3c(n2)N(C)C(=O)C3)c(C)c1 19744312 IZFHCTOGDVWDIZ-HXUWFJFHSA-N 422.529 3.307 0 40 HGAB COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCC(C)C)cc1Cl 20005890 XUXXPKHJEIMLCD-SFHVURJKSA-N 424.950 3.010 0 40 HGAB CCC(=O)Nc1cc(S(=O)(=O)N[C@H](C)c2ccc(OC)c(OC)c2)ccc1OC 20025233 OFZUNBUKGXXJTN-CYBMUJFWSA-N 422.503 3.100 0 40 HGAB C[C@]1(c2ccco2)NC(=O)N(C[C@H](O)COc2ccc(-c3ccccc3)cc2)C1=O 21702804 KPICOITVSGFVJH-FDDCHVKYSA-N 406.438 3.154 0 40 HGAB COc1ccccc1CCCNC(=O)CN(c1ccccc1C(C)C)S(C)(=O)=O 22401143 XBFJZJKZQBBMHR-UHFFFAOYSA-N 418.559 3.334 0 40 HGAB COc1ccc(CNC(=O)Nc2ccc3c(c2)OCC(C)(C)C(=O)N3C)cc1OC 22508307 KJCDPBDPXSVUAB-UHFFFAOYSA-N 413.474 3.407 0 40 HGAB CC(C)c1nnc(NC(=O)CCNS(=O)(=O)c2ccc(C(C)(C)C)cc2)s1 22975492 VCXNXXNECITBIS-UHFFFAOYSA-N 410.565 3.266 0 40 HGAB COc1cc(CCC(=O)OCc2cc(=O)n3cc(Cl)ccc3n2)cc(OC)c1 23230702 NVWHEIWGVIWTDA-UHFFFAOYSA-N 402.834 3.041 0 40 HGAB O=S(=O)(NCCc1ccc(C(F)(F)F)cc1)c1ccc2c(c1)OCCCO2 23863493 CAVOYQLOGVMRCF-UHFFFAOYSA-N 401.406 3.388 0 40 HGAB COc1ccc(CN2CCN(C(=O)c3ccc4nc(C)c(C)nc4c3)CC2)cc1F 24754647 BIIOTXWRULQKRN-UHFFFAOYSA-N 408.477 3.352 0 40 HGAB COc1cc(NC(=O)c2cccc(Br)c2)c(C(=O)N(C)C)cc1OC 25213311 QLVXRRSVHDQBTD-UHFFFAOYSA-N 407.264 3.420 0 40 HGAB COc1ccc(CSc2nnc(Nc3cc(C)cc(C)c3)c(=O)n2N)cc1OC 28535913 GSNVIQMZMRGWQC-UHFFFAOYSA-N 413.503 3.022 0 40 HGAB CCOC(=O)C1CCN(S(=O)(=O)c2cc(C)c(Br)cc2C)CC1 31903925 YCGMTKQJNZTYCI-UHFFFAOYSA-N 404.326 3.030 0 40 HGAB COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1F 32586835 WRPRMDCAMKLMDK-UHFFFAOYSA-N 404.419 3.158 0 40 HGAB O=C(NCCc1ccc2c(c1)OCCO2)c1ccc(Cl)c(N2CCCC2=O)c1 32744483 ISHLJCFMCKAJBQ-UHFFFAOYSA-N 400.862 3.211 0 40 HGAB O=C(NCc1ccccc1Cn1cccn1)[C@H]1CCCN(C(=O)c2cccs2)C1 32759145 PQKFXZCJGOULGE-IBGZPJMESA-N 408.527 3.162 0 40 HGAB O=C(NCc1ccc(-c2nc3ccccc3s2)o1)c1cccnc1-n1cncn1 32906177 REZDIPADWPPUJX-UHFFFAOYSA-N 402.439 3.462 0 40 HGAB C[C@H]1CCCC[C@@H]1NC(=O)CC[C@H]1N=C(O)N(CCc2c[nH]c3ccccc23)C1=O 36601807 JCHMEGONFIBRDV-ZAAXVRCTSA-N 410.518 3.310 0 40 HGAB O=C(NC[C@H](c1ccccc1Cl)N1CCCC1)[C@@H]1CCCN(c2cnccn2)C1 40063312 LZLJJZFGRVTUKL-YLJYHZDGSA-N 413.953 3.300 0 40 HGAB CC(C)Cc1ccc(C(=O)C2CCN([C@H](C)C(=O)NC[C@H]3CCCO3)CC2)cc1 40105854 ZEIOQYRCIKDMOT-XMSQKQJNSA-N 400.563 3.464 0 40 HGAB C[C@@H]1CN([C@@H](CNC(=O)c2ccc3c(c2)OCO3)c2c(F)cccc2Cl)CCO1 40106851 UGCWVCYETOGIGV-DYVFJYSZSA-N 420.868 3.400 0 40 HGAB CC(C)(C)c1cc(NC(=O)/C=C/c2c(F)cccc2F)n([C@@H]2CCS(=O)(=O)C2)n1 40132500 HIJWHYCEKWMDQP-SBDDDAINSA-N 423.485 3.470 0 40 HGAB C[C@H](NC(=O)Nc1cccc(Cn2cccnc2=O)c1)c1ccc2c(c1)CCC(=O)N2 47734456 HCPKOJULEOWEHG-HNNXBMFYSA-N 417.469 3.059 0 40 HGAB CN1CCN(CCCNC(=O)Nc2cccnc2N2CCCC2)[C@H](c2ccccc2)C1 48235239 CWLKTVFRLWZGIY-QFIPXVFZSA-N 422.577 3.182 0 40 HGAB COc1ccc2c(c1)CCN=C2C[C@H]1CN(C(=O)c2ccco2)CC[C@H]1CC(=O)O 49590455 IQUWMEXGWIEKNM-RDJZCZTQSA-N 410.470 3.277 0 40 HGAB biogenic,in-vitro CCOC(=O)[C@@H]1CCCN(C(=O)c2ccc(-n3c(C)nc4ccccc4c3=O)cc2)C1 52818465 QFMFMUWIRXTOIM-GOSISDBHSA-N 419.481 3.109 0 40 HGAB COc1cc(-c2nc3sc4c(c3c(=O)[nH]2)CCCCC4)ccc1OCC(=O)O 55502390 JPPLHYPWPCZWCB-UHFFFAOYSA-N 400.456 3.393 0 40 HGAB Cc1ccc(C(=O)N2CCN(CC(=O)Nc3cc(F)ccc3Cl)CC2)cc1C 57486198 CKMMFQNFPDDPQA-UHFFFAOYSA-N 403.885 3.492 0 40 HGAB COc1ccc(C2(c3ccc(OC)cc3)NC(=O)N(CN3CCCCCC3)C2=O)cc1 58171366 OEGVJTWXKRTTFW-UHFFFAOYSA-N 423.513 3.333 0 40 HGAB CCCNC(=O)c1nnn(-c2cccc3c2CCN(Cc2cccc(F)c2)C3)c1C 69926206 PPRHMSIVANAOHC-UHFFFAOYSA-N 407.493 3.413 0 40 HGAB O=C(NCC1CCN(C(=O)c2ccncc2)CC1)c1cccc(Br)c1 70926026 KAEQIKRYZPZSHV-UHFFFAOYSA-N 402.292 3.126 0 40 HGAB O=C(Nc1cc(-c2ccncc2)n[nH]1)c1ccc(Cn2cc(Br)cn2)o1 72255816 KRRJMQCAIMGRTG-UHFFFAOYSA-N 413.235 3.324 0 40 HGAB CCOC(=O)C[C@H](c1cc(OC)c(O)c(OC)c1)c1c(O)c2ccccc2[nH]c1=O 72325638 UTMJXENGXIPGAN-CQSZACIVSA-N 413.426 3.042 0 40 HGAB biogenic Cc1[nH]c2cccc(C(=O)N3CCC([C@@H]4CCCCN4S(C)(=O)=O)CC3)c2c1C 72354290 YYCPURMXCWVPKA-FQEVSTJZSA-N 417.575 3.451 0 40 HGAB CN(C[C@H]1CCCN1C(=O)C[C@@H]1Sc2ccccc2NC1=O)C(=O)OC(C)(C)C 78935057 QNUMKCKNARZSMU-PBHICJAKSA-N 419.547 3.347 0 40 HGAB COCCN(CC(=O)N[C@H]1CCC[C@@H]1OCc1ccccc1)C(=O)OC(C)(C)C 84199906 LEWXLJWHYWEMJO-OALUTQOASA-N 406.523 3.124 0 40 HGAB CCn1c(SCC(=O)N2CC(=O)Nc3ccccc32)nnc1-c1cccc(C)c1 89300587 CJNWYMVACCIKLO-UHFFFAOYSA-N 407.499 3.351 0 40 HGAB COc1ccc(C(=O)NC2CCN(c3ncccc3-c3nc(C)no3)CC2)c(C)c1 90591997 GTDUCZKAPWWFGC-UHFFFAOYSA-N 407.474 3.156 0 40 HGAB Cc1n[nH]cc1CCCNC(=O)[C@H](C)CNCc1ccc(OCc2ccncc2)cc1 95400402 FGGYGJMKMODPIH-GOSISDBHSA-N 421.545 3.167 0 40 HGAB COc1ccc(CCC(=O)Nc2ccc(OCC(=O)O)cc2C)c(OC)c1OC 95425265 JXLPPANYYNQDLZ-UHFFFAOYSA-N 403.431 3.056 0 40 HGAB COc1ccc(NC(=O)CN2C=Cc3cc(OC)c(OC)cc3CC2=O)cc1Cl 95477424 UJKZQKUCDBUXRD-UHFFFAOYSA-N 416.861 3.360 0 40 HGAB COc1cccc(NC(=O)N2CCC3(CC2)CCn2c(-c4cnn(C)c4)cnc23)c1 96243518 HYUBLSMSSSOFFS-UHFFFAOYSA-N 406.490 3.262 0 40 HGAB COc1ccccc1N(CCCC(=O)N[C@@H](C)c1ccc(F)cc1)S(C)(=O)=O 113968180 RJBAWZNMNZJCDB-HNNXBMFYSA-N 408.495 3.258 0 40 HGAB CSc1cccc(N(CC(=O)NCc2cccc(OC(C)C)c2)S(C)(=O)=O)c1 220069867 LUFGHSKHZQLVSU-UHFFFAOYSA-N 422.572 3.278 0 40 HGAB CNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CSCc1ccc(OC)cc1 222780840 BLRIYWMDHLHBHJ-INIZCTEOSA-N 416.543 3.100 0 40 HGAB CCOc1ccc(N([C@@H](C)C(=O)N[C@@H](C)c2ccccc2OC)S(C)(=O)=O)cc1 225120914 OIOACVSCYUVGQO-HOTGVXAUSA-N 420.531 3.126 0 40 HGAB CC[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(C)cc1C 225563646 ZKAHLGLLFBDWNE-NRFANRHFSA-N 416.543 3.205 0 40 HGAB Cc1c(NC(=O)Cc2cccc(Br)c2)c(=O)n(-c2ccccc2)n1C 225613548 MPZIDHQAEHPUCV-UHFFFAOYSA-N 400.276 3.428 0 40 HGAB COc1ccc(C)cc1S(=O)(=O)N1CCC(C(=O)NCc2cccc(C)c2)CC1 226081175 DSIMEEVSGGZKFU-UHFFFAOYSA-N 416.543 3.029 0 40 HGAB CO[C@H]1CCN(CC(=O)Nc2ncc(Cc3ccc(F)cc3)s2)C[C@@]12CCCO2 257216806 CWDJOLMWVBHZKM-RXVVDRJESA-N 419.522 3.081 0 40 HGAB COc1ccc(CN2CCNC(=O)[C@@H]2Cc2ccc(-c3cccnc3)cc2)c(OC)c1 257307125 SXHXMFCYRYTVQX-QHCPKHFHSA-N 417.509 3.309 0 40 HGAB Cc1nc(C[C@@H]2CCCN(C(=O)c3ccc4ccccc4n3)C2)cc(C(=O)N(C)C)n1 257342044 ZMVHMABUSNUAAX-KRWDZBQOSA-N 417.513 3.130 0 40 HGAB CC(C)n1c(=O)sc2cc(S(=O)(=O)NCCCN3CCC[C@H](C)C3)ccc21 260802906 QADILPLIDMYTGM-HNNXBMFYSA-N 411.593 3.044 0 40 HGAB Cc1ccccc1[C@H](Cc1nc(-c2cccc(N3CCCC3=O)c2)no1)NC(N)=O 546990274 FFIWMOCEICWISX-SFHVURJKSA-N 405.458 3.124 0 40 HGAB CCOC1(c2nc([C@H]3CCCO3)no2)CCN(Cc2cccc3c2OCO3)CC1 583615963 XSWQUQQELHVKBW-QGZVFWFLSA-N 401.463 3.178 0 40 HGAB O=C1c2ccccc2CN1CCC(=O)N1CCCC2=C[C@H]3C[C@@H](CN4CCCC[C@@H]34)[C@@H]21 583647563 KMWOXVJLEQBKSZ-FZZWXMEGSA-N 419.569 3.454 0 40 HGAB biogenic OCCCOc1ccc(CN2C[C@H](O)[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)cc1 585269144 POCVFSZEBIPMDK-PMACEKPBSA-N 412.313 3.379 0 40 HGAB C[C@@H](Oc1cccc(Cl)c1)C(=O)N1CCC(n2nc(C3CC3)ccc2=O)CC1 1775985987 NIQIKZBQAJHOJR-CQSZACIVSA-N 401.894 3.405 0 40 HGAB COCCn1cnc2c(N3CCN(c4nc5c(C)cc(C)cc5s4)CC3)ncnc21 1888944408 CEPPHVYSXKSEQH-UHFFFAOYSA-N 423.546 3.026 0 40 HGAB COc1ccc(C(=O)NC(=S)Nc2sc3c(c2C(N)=O)CC[C@@H](C)C3)cc1 2316334 HEDITWRIGPECNA-SNVBAGLBSA-N 403.529 3.107 0 40 HGAB COc1ccc(-c2nnc(SCC(=O)Nc3ccc(OC)c(Cl)c3)n2N)cc1 2352047 ODUSTNOCAJCVKS-UHFFFAOYSA-N 419.894 3.060 0 40 HGAB O=C(c1cnn2c(C(F)F)cc(-c3ccc(F)cc3)nc12)N1CCN2CCC[C@@H]2C1 2776931 RLXRTJOGRSMXIS-OAHLLOKOSA-N 415.419 3.393 0 40 HGAB COc1ccc(NC(=O)[C@H](CCSC)N2C(=O)c3ccccc3C2=O)cc1OC 3565594 BCWCWVCALLFDPO-INIZCTEOSA-N 414.483 3.060 0 40 HGAB COc1cc(NC(=S)NC[C@H]2CCCO2)c(OC)cc1NC(=O)c1ccco1 4126938 JBAYISFXNWQUHG-GFCCVEGCSA-N 405.476 3.015 0 40 HGAB Cc1ccc(-n2nc3c(c2NC(=O)c2ccc4c(c2)OCO4)C[S@](=O)C3)c(C)c1 4224590 BGJGVFWTPHCCPL-GDLZYMKVSA-N 409.467 3.232 0 40 HGAB COc1ccccc1NC(=O)CSc1nnc(-c2ccc(NC(C)=O)cc2)n1C 4326889 WRJPBPQPWICDBW-UHFFFAOYSA-N 411.487 3.180 0 40 HGAB CCOC(=O)CSc1nc2nc(-c3ccc(OC)cc3)cc(C(F)(F)F)n2n1 4776527 HIWGEAZMWZEIJZ-UHFFFAOYSA-N 412.393 3.474 0 40 HGAB COc1ccc(OC)c(S(=O)(=O)N2CCN(c3cc(Cl)ccc3C)CC2)c1 6966856 IOAAHXKBZNJIJK-UHFFFAOYSA-N 410.923 3.177 0 40 HGAB COc1ccc(C(=O)N[C@H](C)c2cccc(Cl)c2)cc1S(=O)(=O)NC1CC1 7312944 MVKGVIPDMIDXIM-GFCCVEGCSA-N 408.907 3.280 0 40 HGAB COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3OC)C2=O)cc1Cl 8169221 MJYHIHSKRPNJEK-FMIVXFBMSA-N 402.859 3.189 0 40 HGAB CN(Cc1ccco1)C(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1 8265362 UOYJEDJTHDTKBQ-UHFFFAOYSA-N 410.495 3.299 0 40 HGAB COc1ccc2cc(CN(C)C(=O)CCCN3C(=O)NC4(CCCC4)C3=O)ccc2c1 8360971 GTGMGLTWVNGMHE-UHFFFAOYSA-N 423.513 3.452 0 40 HGAB CCOc1c(C)cc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N(CC)CCO3)cc1C 8961643 LYUKEXJZXBYGEY-UHFFFAOYSA-N 418.515 3.357 0 40 HGAB COc1cc([C@@H]2CC(=O)Nc3nc(C)[nH]c(=O)c32)ccc1OCc1ccc(C)cc1 8995119 HXAXOIBEXFQAJM-KRWDZBQOSA-N 405.454 3.448 0 40 HGAB COc1ccc(CCNC(=O)C(=O)Nc2ccc(OCC(C)C)cc2)cc1OC 9235233 OIAMLFDKJJNPAD-UHFFFAOYSA-N 400.475 3.036 0 40 HGAB CCC(=O)Nc1ccc(N2CCOCC2)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 9443135 OXKYYGJNRBCCBB-UHFFFAOYSA-N 423.922 3.326 0 40 HGAB O=C1NC2(CCCCCC2)C(=O)N1Cc1cc2c(cc1Br)OCCO2 9532815 IUTFLQMNWKXQJF-UHFFFAOYSA-N 409.280 3.365 0 40 HGAB COc1cc(C(=O)OCCOc2ccc(Cl)cc2Cl)ccc1OCC(N)=O 10900746 FKPIUJBJADZJRQ-UHFFFAOYSA-N 414.241 3.102 0 40 HGAB Cc1cccc2c(=O)n(CCCC(=O)NCCCc3nc4ccccc4[nH]3)cnc12 11486474 WNDRFCIXBAGACH-UHFFFAOYSA-N 403.486 3.110 0 40 HGAB O=C(Nc1nc2cc3c(cc2s1)OCCO3)C1CCN(C(=O)c2ccco2)CC1 11751993 CFDYBIWUKQLFHO-UHFFFAOYSA-N 413.455 3.151 0 40 HGAB CCOc1ccc([C@@H](O)CN2CCC3(CC2)C[C@@H](O)c2ccc(OC)cc2O3)cc1 12329549 KZNDCZVLIGJBAR-YADHBBJMSA-N 413.514 3.478 0 40 HGAB CCCCN(Cn1ncn(-c2cccc(Cl)c2)c1=S)[C@@H]1CCS(=O)(=O)C1 12516789 SHUPTCOIQKYVKZ-MRXNPFEDSA-N 414.984 3.303 0 40 HGAB NC1=Nc2nc3cc4c(cc3n2[C@@H](c2ccccc2Br)N1)OCCCO4 12630191 UYYNFVPCLAVIQY-INIZCTEOSA-N 414.263 3.056 0 40 HGAB COc1cc(OC)c2c(C)c(CC(=O)Nc3ccc4oc(=O)ccc4c3)c(=O)oc2c1 12894975 ZIHVVWRXGHTCIZ-UHFFFAOYSA-N 421.405 3.406 0 40 HGAB biogenic CN(C)S(=O)(=O)c1ccc(CNC(=O)CSc2ccc(Cl)cc2)s1 13005025 RPKUHDVPOUREPJ-UHFFFAOYSA-N 404.966 3.060 0 40 HGAB C[C@H]1C[C@@H](C)CN(CC(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2Cl)C1 13057185 HRHJJMMCAAUVBS-GASCZTMLSA-N 413.971 3.041 0 40 HGAB COC[C@@H](C)n1c(SCc2nc3ccccc3c(=O)[nH]2)nc2ccccc2c1=O 13637511 SGJVRIIOCBPBBH-CYBMUJFWSA-N 408.483 3.133 0 40 HGAB COCc1nn2c3c(nnc2c1-c1ccccc1OC)C(=O)C[C@@H](c1ccco1)C3 13639410 QVMGSZAFAWKYOY-ZDUSSCGKSA-N 404.426 3.452 0 40 HGAB Cn1nc(CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)c2ccccc2c1=O 14016047 KYONNAFUTBPLAF-HXUWFJFHSA-N 419.481 3.001 0 40 HGAB COC(=O)c1cccc(NC(=O)CN(c2ccc(Cl)cc2C)S(C)(=O)=O)c1C 14412115 JCJAUPJTPKCBEZ-UHFFFAOYSA-N 424.906 3.148 0 40 HGAB COc1ccc(/C=C/C(=O)N2CCC(C(=O)NCc3ccccc3)CC2)cc1OC 15174663 UPXYLXFXEUTXOH-PKNBQFBNSA-N 408.498 3.272 0 40 HGAB CCCc1nn(CC(=O)Nc2ccccc2C(=O)OCC)c(=S)n1-n1cccc1 16777776 DKMZADZQQWNQNH-UHFFFAOYSA-N 413.503 3.295 0 40 HGAB Cc1cc(C)n(CC(=O)NCc2ccccc2)c(=O)c1-c1nc(-c2ccccc2)no1 16840327 OBRWXMQZLYXSSP-UHFFFAOYSA-N 414.465 3.499 0 40 HGAB COc1ccc(NC(=O)Nc2nc(CCC(=O)NCc3cccnc3)cs2)cc1 16849088 HACMQPPWTZISLE-UHFFFAOYSA-N 411.487 3.440 0 40 HGAB Cc1ccc2c(c1)C(=O)C(=O)N2CN1CCCN(c2ccc(C(F)(F)F)cn2)CC1 16875867 GNEQZTUREMAJND-UHFFFAOYSA-N 418.419 3.108 0 40 HGAB CC(C)c1ccc(-n2c(=O)[nH]c(O)c([C@H]3NCCc4c3[nH]c3ccccc43)c2=O)cc1 17196757 KYNGBOGEFWBECF-OAQYLSRUSA-N 416.481 3.071 0 40 HGAB biogenic Cc1cc2nc(C[C@@H](NC(=O)c3ccncc3C)c3ccc(F)cc3)cc(O)n2n1 19129895 WPNFGUYJHWJZKG-LJQANCHMSA-N 405.433 3.300 0 40 HGAB O=C(c1cc2c(F)cccc2[nH]1)N1CCC(c2n[nH]cc2C(=O)N2CCCC2)CC1 19345261 IFKZIZKZQNOTQF-UHFFFAOYSA-N 409.465 3.286 0 40 HGAB CCn1cc(CN2C[C@@H](c3cccnc3)[C@@]3(COCCC(=O)N3)C2)c2ccc(F)cc21 19524737 BUOKYQAKSVBRMS-URXFXBBRSA-N 422.504 3.070 0 40 HGAB CCOc1cc(CN2CCC[C@H](c3cc4cccnc4[nH]3)C2)ccc1OCC(N)=O 19532207 FPAXNDWDPRRYCZ-SFHVURJKSA-N 408.502 3.205 0 40 HGAB COc1ccc(CC(=O)N2CCC[C@H]([C@@H]3C[C@H](C(F)(F)F)n4ncnc4N3)C2)cc1 19554152 HDEDOOFXFZNFNV-BHYGNILZSA-N 423.439 3.056 0 40 HGAB COc1ccccc1Cn1ncc2c1CCC[C@@H]2NC(=O)c1ccc2c(c1)OCO2 19570963 VUQFPEFDADJJTH-SFHVURJKSA-N 405.454 3.476 0 40 HGAB COCCOc1ccc(CN2CCC[C@@H]([C@@H]3C[C@H](C(F)F)n4ncnc4N3)C2)cc1 19593695 RFZODOBJNQEZTI-NZSAHSFTSA-N 421.492 3.206 0 40 HGAB Cc1ccc2c(c1)cc(C(=O)Nc1ccc(NC(=O)CN3CCOCC3)c(C)c1)n2C 19661169 KESAMXLZVKVYTH-UHFFFAOYSA-N 420.513 3.318 0 40 HGAB CNC(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CCN(C(=O)CCc2ccccc2)C1 19703410 DXUZFIWQVAOOBN-RUZDIDTESA-N 417.509 3.482 0 40 HGAB COc1cc2c(cc1OC)N(C)S(=O)(=O)C(C(=O)Nc1ccc(C)cc1C)=C2C 20063933 XBODTSLAMJEOHQ-UHFFFAOYSA-N 416.499 3.470 0 40 HGAB Cc1ccc(S(=O)(=O)N(CC(=O)NCc2cccnc2)c2cccc(C)c2)cc1 20234924 FFRFDEMKRAVOGF-UHFFFAOYSA-N 409.511 3.210 0 40 HGAB Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1cccs1)N(CCCN1CCOCC1)C3=O 20308242 XGOVHHYCQCDRQE-FQEVSTJZSA-N 424.522 3.430 0 40 HGAB CCc1ccc2ncc(S(=O)(=O)c3ccccc3)c(N3CCC(C(N)=O)CC3)c2c1 20380841 CNQGQLACVNKLBS-UHFFFAOYSA-N 423.538 3.332 0 40 HGAB CC[C@H](NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1ccccc1 20459377 RJPJNYMLROKJTK-NRFANRHFSA-N 400.544 3.496 0 40 HGAB C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@H]2[C@@]1(O)C(=O)CCl 22001678 FSYKOOROHIBYBP-JVRIVZIXSA-N 413.341 3.021 0 40 HGAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H](C)c2ccc(F)cc2)cc1C 22271953 WQWWQYCDWZTBLR-OAHLLOKOSA-N 408.495 3.031 0 40 HGAB CN(C(=O)C1CCN(S(=O)(=O)Cc2c(F)cccc2Cl)CC1)C1CCCC1 22510523 RBXSGGLNBZTTSG-UHFFFAOYSA-N 416.946 3.422 0 40 HGAB CCc1nc2sc([C@H](c3ccc(C(F)(F)F)cc3)N3CCOCC3)c(O)n2n1 22854254 SATGLZWFZZAGBH-AWEZNQCLSA-N 412.437 3.499 0 40 HGAB CN(Cc1ccco1)C(=O)c1ccc(S(=O)(=O)NCCc2cccs2)cc1 24541621 RYGUNRGJVNLRNZ-UHFFFAOYSA-N 404.513 3.134 0 40 HGAB CC(=O)N[C@H](CC(=O)OCC(=O)N1CCc2ccccc21)c1ccc(Cl)cc1 25540873 FCYORPSYDQPNQI-GOSISDBHSA-N 400.862 3.040 0 40 HGAB CC(C)CN1CCO[C@@H](CNC(=O)Cc2csc(-c3ccccc3Cl)n2)C1 28015183 AGMJGNUMKLYFTO-INIZCTEOSA-N 407.967 3.479 0 40 HGAB Cn1c(CC(=O)Nc2ccc(F)cc2)nnc1SCC(=O)c1ccc(F)cc1 32579306 LZMJZIKTPARHDT-UHFFFAOYSA-N 402.426 3.250 0 40 HGAB Cc1noc(C(C)C)c1C(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 32738056 CSAOXQODOIVPOX-ZIAGYGMSSA-N 421.519 3.157 0 40 HGAB COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2 32991032 QDYMWKWAFKTQPU-KZULUSFZSA-N 423.494 3.115 0 40 HGAB CCc1cccc(C)c1NC(=O)C[S@](=O)CC(=O)Nc1cccc2cccnc12 35290112 XWTZWSCDVFHOPB-LJAQVGFWSA-N 409.511 3.432 0 40 HGAB CN(Cc1ccccc1F)C(=O)C[C@@H](NC(N)=O)c1ccc(Br)cc1 36391091 VSHUVBTZYTZZLA-MRXNPFEDSA-N 408.271 3.346 0 40 HGAB COc1cc([C@H]2[C@@H](C(=O)Nc3ccc(Cl)cc3)[C@H](C)Nc3ncnn32)ccc1O 36701647 AXBUNIMTJDZABI-NBHSMZAVSA-N 413.865 3.304 0 40 HGAB COc1cc(CNC(=O)c2ccc(-c3ccccc3Cl)o2)ccc1OCC(N)=O 40119489 DGFZFPCKTNVLGV-UHFFFAOYSA-N 414.845 3.403 0 40 HGAB COc1ccc(CNC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)c(OC)c1OC 44882818 FGYRJSKBHPDIRE-SFHVURJKSA-N 416.493 3.380 0 40 HGAB C[C@H](NC(=O)c1ccc(S(=O)(=O)NCCc2cccs2)cc1)c1cccnc1 45290334 RCBOCHSQMYEUCI-HNNXBMFYSA-N 415.540 3.155 0 40 HGAB CCOC(=O)Cc1csc(NC(=O)c2cc(C(C)C)nc3c2c(C)nn3C)n1 71282871 QDMZAWKJSFBTQE-UHFFFAOYSA-N 401.492 3.215 0 40 HGAB COc1ccc(OC)c(NC(=O)c2nnn(CC(=O)Nc3cccc(C)c3C)c2C)c1 71327176 UOQXWZWNLICACZ-UHFFFAOYSA-N 423.473 3.112 0 40 HGAB Cc1nc([C@H]2CCCN2S(=O)(=O)C2CCCC2)nc2c1CCC(=O)N2CC(C)C 72371124 PNYDAPCYIDJRHK-GOSISDBHSA-N 420.579 3.130 0 40 HGAB C[C@H](NC(=O)C(=O)NCc1ccc([C@@H](O)c2cccs2)s1)c1ccccc1 90613738 PHBRAGJVDZMCRN-UGSOOPFHSA-N 400.525 3.385 0 40 HGAB COc1ccccc1N1CCN(C[C@@H](O)CO[C@@H]2C(C)(C)[C@@H]3CC[C@@]2(C)C3)CC1 95532943 LBAQYJOJTNEFOU-FSNSLZAISA-N 402.579 3.410 0 40 HGAB O=C1CCC[C@@H]1[C@H]1COCCN1C(=O)c1cc2c(F)cc(Br)cc2[nH]1 96011745 YBFNBJMFEZLPBP-BDJLRTHQSA-N 409.255 3.280 0 40 HGAB COc1ccc(CN2CCC3(CC[C@H]3NS(=O)(=O)c3ccccc3)CC2)cc1 96051635 ISBKUKVTICNGGW-OAQYLSRUSA-N 400.544 3.418 0 40 HGAB O=S1(=O)c2ccccc2OCC2(CCN(c3cccnc3)CC2)CN1CC1CC1 96087779 NXBSYUWGJJGOSQ-UHFFFAOYSA-N 413.543 3.162 0 40 HGAB COc1cccc(N[C@@H]2COC3(CCN(S(=O)(=O)c4cccc(F)c4)CC3)C2)c1 96221472 LVGGNAJLBWKLBJ-SFHVURJKSA-N 420.506 3.259 0 40 HGAB Cc1cc(O)n2nc([C@@H]3CCCN3C(=O)c3csc(-c4ccncc4)n3)cc2n1 100143626 FHPFTFCLCQYRDO-INIZCTEOSA-N 406.471 3.239 0 40 HGAB COc1ccc(C)cc1NC(=O)[C@H](CCSC)N1C(=O)[C@H]2CCCC[C@H]2C1=O 101403466 ZVOUHFNADVZIJJ-UXLLHSPISA-N 404.532 3.239 0 40 HGAB COc1ccc(CCN2C(=O)C[C@@H](Nc3ccc(F)c(Cl)c3)C2=O)cc1OC 102286062 NQEATCYVXKRXDO-MRXNPFEDSA-N 406.841 3.278 0 40 HGAB O=C(CCN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@@H]2C1=O)Nc1ccc(Cl)cc1Cl 102529766 FSHJIJIUGQWLFU-RKVXBYLHSA-N 405.281 3.375 0 40 HGAB Cc1ccc(OC[C@H](C)NC(=O)CCCN(c2ccc(C)cc2)S(C)(=O)=O)cc1 219629219 FVCIFYHYQHORAJ-IBGZPJMESA-N 418.559 3.433 0 40 HGAB COC(=O)c1ccc(C)c(NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2Cl)c1 222513535 QWWLNOQSKFUWCI-UHFFFAOYSA-N 410.879 3.083 0 40 HGAB Cc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(=O)N1c2ccccc2C[C@@H]1C 222772020 ZPOLEPUIKUMNDR-KRWDZBQOSA-N 414.527 3.136 0 40 HGAB CCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCc1ccc(OC)c(OC)c1 222976086 PIAZJVUNQQSSJW-MRXNPFEDSA-N 416.493 3.329 0 40 HGAB O=C(Nc1ccc2c(c1)OCO2)c1cn2c3c(cc(Br)cc3c1=O)CC2 223100977 YJNSRPWONPLRLS-UHFFFAOYSA-N 413.227 3.301 0 40 HGAB CC(C)n1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1CCCN1CCOCC1 223192900 AKWGVBPBAONUNA-LEWJYISDSA-N 413.591 3.159 0 40 HGAB Cc1ccccc1CS(=O)(=O)NCc1nc(-c2cccc(Br)c2)no1 223639300 MBBXOYDXFNTKOK-UHFFFAOYSA-N 422.304 3.427 0 40 HGAB CCCc1ccc(OCCNC(=O)c2ccc(NS(C)(=O)=O)c(Cl)c2)cc1 224413160 KGQSRMCGVQXYHH-UHFFFAOYSA-N 410.923 3.473 0 40 HGAB CCCSc1nnc(NC(=O)CN(c2ccc(CC)cc2)S(C)(=O)=O)s1 224961394 SBNMTXSNMODTPI-UHFFFAOYSA-N 414.578 3.007 0 40 HGAB CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)NC[C@@H](O)c1csc3ccccc13)C(=O)C2 230174107 OQRRXVMLLGKLOZ-GQWAEJPESA-N 407.557 3.250 0 40 HGAB CC(=O)N1CCN(C(=O)c2ccccc2OCc2nonc2C)[C@H](c2ccccc2)C1 257242682 IDRZLUAILFKCQM-NRFANRHFSA-N 420.469 3.003 0 40 HGAB O=C(COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1Cl)NC1CC1 408589332 HAOHFJYQSCMKSY-UHFFFAOYSA-N 420.918 3.139 0 40 HGAB Cc1ccc(C(=O)O)c(NC(=O)c2ccc(N3C(=O)[C@H]4[C@H]5CC[C@@H](C5)[C@H]4C3=O)cc2)c1 408667670 CDTBMIZVPZTUTM-HZVDNRATSA-N 418.449 3.481 0 40 HGAB O=S(=O)(NCCSCc1c(F)cccc1Cl)c1ccc2c(c1)OCCO2 409027202 CBTRMNNISSYEEQ-UHFFFAOYSA-N 417.911 3.462 0 40 HGAB Cc1cc(C)cc(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccco3)cc2)c1 409375823 PQPUVXFEOSFSJD-UHFFFAOYSA-N 414.483 3.392 0 40 HGAB COc1cc(/C=C\C(N)=O)ccc1OCc1ccc(I)cc1 409416182 QMBVMQQNWDSFAL-UITAMQMPSA-N 409.223 3.377 0 40 HGAB NC(=O)c1ccc(-c2nc(CN3CCC(C(=O)N4CCCCC4)CC3)cs2)cc1 507679009 VATBBINZHDAQKU-UHFFFAOYSA-N 412.559 3.134 0 40 HGAB O=C(Cc1cc(Cl)cc2c1OCC2)N[C@H](CO)c1cccc(Br)c1 541710178 YUHPSCOJBOXHBR-MRXNPFEDSA-N 410.695 3.430 0 40 HGAB Cc1noc(C)c1CC(=O)N1CCOCCOc2ccccc2Oc2ncccc2C1 643573332 BGJOFKDCCGSZHJ-UHFFFAOYSA-N 423.469 3.459 0 40 HGAB O=C(CN1CCC[C@](O)(COc2ccc(F)cc2)C1)Nc1ccc(F)c(Cl)c1 2037916253 ZOEHKHGSXCXYKH-HXUWFJFHSA-N 410.848 3.463 0 40 HGAB COc1ccc(-c2nc(NC(=O)CSC(=S)N3CCOCC3)sc2C)cc1 667918 RQEQHKPVAKNVRN-UHFFFAOYSA-N 423.585 3.416 0 40 HGAB COC(=O)c1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2C[C@@H]2CCCO2)cc1 2439147 BLNCAYJJPOLDMN-OXJNMPFZSA-N 419.433 3.304 0 40 HGAB CCN(CC)C[C@@H](C)NC(=O)[C@@H](C)n1nc(C(F)(F)F)c(Br)c1C 2780821 RXYGVGZLPDFBPQ-MWLCHTKSSA-N 413.282 3.380 0 40 HGAB Cc1nn(Cc2nc3c4cnn(-c5ccccc5)c4ncn3n2)c(C)c1Br 2808983 JGKSPFKQFSRCOA-UHFFFAOYSA-N 423.278 3.087 0 40 HGAB CCOc1ccccc1[C@@H]1CC(c2cccc(NS(C)(=O)=O)c2)=NN1C(C)=O 4036313 VRAMDBLYJYXVBQ-IBGZPJMESA-N 401.488 3.154 0 40 HGAB COCCNC(=S)N(Cc1ccc(F)cc1)Cc1cc2ccc(C)cc2[nH]c1=O 4132571 CPZDPADDHSNIAM-UHFFFAOYSA-N 413.518 3.499 0 40 HGAB CCc1nnc(NC(=O)CSc2nc3cc4c(cc3cc2C)OCCO4)s1 4170926 BAHVTSFWVQQWLN-UHFFFAOYSA-N 402.501 3.459 0 40 HGAB COC(=O)[C@H]1[C@@H](c2ccc(Br)cc2)N1S(=O)(=O)c1ccc(C)cc1 4293685 VRNANQYWHOYGEU-QNRNLVPOSA-N 410.289 3.045 0 40 HGAB COc1ccc(Cc2nnc(NC(=O)c3ccc(NC(C)=O)cc3)s2)cc1OC 4460439 MXVFDDQBBHGKPT-UHFFFAOYSA-N 412.471 3.357 0 40 HGAB biogenic O=C(COc1coc(CN2CCc3ccccc3C2)cc1=O)NCc1ccc(F)cc1 4583967 ABPMNJJIQSCNKC-UHFFFAOYSA-N 422.456 3.032 0 40 HGAB O=C(CSc1nnc(-c2ccc(O)cc2)o1)Nc1ccc(Br)cn1 4746816 YQBAQINFVQVASX-UHFFFAOYSA-N 407.249 3.331 0 40 HGAB Cc1ccc(-n2nnnc2SCC(=O)Nc2ccc3c(c2)OCCCO3)c(C)c1 4768124 CHRGFVDGWCPOGT-UHFFFAOYSA-N 411.487 3.171 0 40 HGAB CCOc1ccccc1NC(=O)CSC1=NS(=O)(=O)c2cc(F)ccc2N1 4853646 NFCZHXHODNNDCB-UHFFFAOYSA-N 409.464 3.067 0 40 HGAB Cc1cc(C)c(NC(=O)C[S@@](=O)CC(=O)N[C@@H]2CCCc3ccccc32)c(C)c1 4906751 XGGOJNUNMUWLIQ-ACSYHNTCSA-N 412.555 3.493 0 40 HGAB CC(=O)N1CCN(C(=O)CSc2nc3ccccc3n2-c2ccc(C)cc2)CC1 5660206 CMKDGVJLTXPSBV-UHFFFAOYSA-N 408.527 3.117 0 40 HGAB CCCOc1cccc(C(=O)NC(=S)Nc2ccccc2N2CCN(C)CC2)c1 5978838 IMVFCBWTGGKPRC-UHFFFAOYSA-N 412.559 3.354 0 40 HGAB COc1ccc2nc(NC(=O)CSc3nnc(-c4ccncc4)n3C)sc2c1 6139635 OAMHHKGSCWPKDN-UHFFFAOYSA-N 412.500 3.226 0 40 HGAB C[C@H](OC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)C(=O)NCC1CCCCC1 6465998 PDPVSQDKDWZCJC-INIZCTEOSA-N 418.509 3.306 0 40 HGAB COc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)cs2)c(OC)c1 6680471 YBQCTTCWLQTOKM-UHFFFAOYSA-N 410.517 3.192 0 40 HGAB Cc1ccc2nc(CSc3nnc([C@H]4COc5ccccc5O4)o3)cc(=O)n2c1 7089076 HDDRELLUSFAHIQ-MRXNPFEDSA-N 408.439 3.191 0 40 HGAB O=C(Nc1ccc(Cl)cc1F)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 8078641 GUHPBHXLIHFLHR-CQSZACIVSA-N 412.870 3.189 0 40 HGAB CC(=O)c1cccc(NC(=O)CSc2nc(=O)n(Cc3ccco3)c3c2CCC3)c1 8601876 KBEMCKPZPFVPSK-UHFFFAOYSA-N 423.494 3.307 0 40 HGAB CN(CCc1ccccn1)C[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)Nc1ccsc1 8636209 RKLVKAHOSSYQQF-BBTUJRGHSA-N 413.591 3.150 0 40 HGAB biogenic,in-vitro Nc1c([C@@](O)(c2nc3ccccc3s2)C(F)(F)F)cnn1Cc1cccnc1 8726393 IFQGGRKSAOOEDW-QGZVFWFLSA-N 405.405 3.317 0 40 HGAB CCOc1ccc(N2C[C@@H](CNS(=O)(=O)c3cc(C)ccc3C)CC2=O)cc1 9036259 STXKYTWDGHONNU-QGZVFWFLSA-N 402.516 3.034 0 40 HGAB CCn1/c(=N/C(=O)c2cccc(N3C(=O)CCC3=O)c2)sc2c(C)ccc(OC)c21 9489633 PYZFHZVRTDQMSD-FCQUAONHSA-N 423.494 3.434 0 40 HGAB O=C(CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)Nc1c(F)cccc1F 9585569 WMNDGKKYIDLNOG-UHFFFAOYSA-N 421.403 3.399 0 40 HGAB C[C@@H](OC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)c1nnc(-c2cccs2)o1 9962801 OQBFVFUFNMPUMY-MRVPVSSYSA-N 413.864 3.017 0 40 HGAB COC(=O)[C@@H](CCSC)NC(=O)c1cc(-c2ccc3c(c2)OCCO3)oc1C 10041316 UVZAQVQICNECPT-OAHLLOKOSA-N 405.472 3.051 0 40 HGAB C[C@H]1Cc2cc(C(=O)NCc3ccccn3)ccc2N1S(=O)(=O)c1ccccc1 10325041 MXKAHQTZOWYLJR-INIZCTEOSA-N 407.495 3.152 0 40 HGAB CNS(=O)(=O)c1ccc(C(=O)Nc2ccc(-n3cnc4ccccc43)cc2)cc1 10428502 PQPREDJWJVSIRT-UHFFFAOYSA-N 406.467 3.186 0 40 HGAB CCOC(=O)c1sc(NC(=O)c2cc(-c3ccc4c(c3)OCCO4)on2)nc1C 11916817 OWDGGZCRHQNIAN-UHFFFAOYSA-N 415.427 3.307 0 40 HGAB Cc1ccc(CNC(=O)[C@H](C)N2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)cc1 12808801 KLOXEBPFVDWTKZ-SFHVURJKSA-N 422.525 3.366 0 40 HGAB CCCN(Cn1nc(-c2ccccc2Cl)n(C)c1=S)[C@H]1CCS(=O)(=O)C1 12921614 SBYSBWSRFVSOSS-ZDUSSCGKSA-N 414.984 3.128 0 40 HGAB COc1ccc(C)cc1N1C[C@H](C(=O)Nc2ccc(N3CCCC3=O)cc2)CC1=O 12977963 LABOUHUVFGGDEA-MRXNPFEDSA-N 407.470 3.122 0 40 HGAB C[C@]1(c2ccccc2)NC(=O)N(NC(=O)c2cccc(OCc3ccccc3)c2)C1=O 12985209 BTONNEYNYWAKCC-XMMPIXPASA-N 415.449 3.378 0 40 HGAB COC(=O)[C@@H](CC(C)C)NC(=O)c1sc(-c2ccc(OC)c(OC)c2)nc1C 13001402 MNBIVEKPTXCSEM-CQSZACIVSA-N 406.504 3.453 0 40 HGAB CCOC(=O)c1sc(NC(=O)CSc2nnc(N)s2)nc1-c1ccccc1 13566310 JATZDYQSDAYVDR-UHFFFAOYSA-N 421.529 3.151 0 40 HGAB O=C(COc1ccccc1Cl)NCCCn1nc(-c2ccc(F)cc2)ccc1=O 13802289 VZDSXVWRYFMYCN-UHFFFAOYSA-N 415.852 3.288 0 40 HGAB O=C(c1ccc2c3c(cccc13)CC2)N1CCN(S(=O)(=O)c2ccccc2)CC1 14073092 GINBRZKLCSFJHZ-UHFFFAOYSA-N 406.507 3.085 0 40 HGAB O=C(CSc1ncnc2sccc12)N1CCN(Cc2ccccc2F)CC1 14229912 PURPRBNGIQPIFU-UHFFFAOYSA-N 402.520 3.267 0 40 HGAB COc1ccc(C(=O)N[C@@H](C)c2ccccc2C)cc1S(=O)(=O)N1CCCC1 14425479 MBVNKMIFSBFIRQ-INIZCTEOSA-N 402.516 3.279 0 40 HGAB CC(C)c1ccccc1OCC(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21 15718444 UENNPDMLXQRDIR-UHFFFAOYSA-N 402.516 3.028 0 40 HGAB COC(=O)C[C@H](NC(=O)C[C@@H](NC(C)=O)c1ccc(Cl)cc1)c1ccccc1 16139494 ZFFAAMIAKSJHPY-MOPGFXCFSA-N 402.878 3.328 0 40 HGAB O=C(c1cc([C@H]2CCCN(Cc3cccc(Cl)c3)C2)no1)N1CCC(O)CC1 19293404 CVWVRMLGLWYMEP-INIZCTEOSA-N 403.910 3.305 0 40 HGAB Cc1sc2nc(C)n(CC(=O)NCc3ccc(CN4CCCC4)cc3)c(=O)c2c1C 19561257 XSJBZKKFIGOZHA-UHFFFAOYSA-N 424.570 3.295 0 40 HGAB COc1nn(CC(=O)N2CCCC[C@@H]2CCc2ccccc2)c(=O)c2ccccc12 19594888 KSKWVLAIVNTONO-LJQANCHMSA-N 405.498 3.419 0 40 HGAB Cc1cc(C)n(CC(=O)N2CCC(c3ccc(C(=O)Nc4nccs4)cn3)CC2)n1 19705767 PESOMAXUSULLHU-UHFFFAOYSA-N 424.530 3.010 0 40 HGAB CC[C@H](c1ccc(F)cc1)N(C)C(=O)Cn1cc(C(=O)NC2CCCC2)ccc1=O 19746308 PQDAXTUAFHCAHJ-HXUWFJFHSA-N 413.493 3.270 0 40 HGAB COc1ccccc1OC[C@@H](O)Cn1c(=N)n(Cc2ccccc2)c2ccccc21 20324849 QSARQDDLCZSVDS-IBGZPJMESA-N 403.482 3.419 0 40 HGAB aggregator C[C@H](OC(=O)c1ccc2c(c1)NC(=O)CS2)C(=O)N1CCSc2ccccc21 21852558 KTZJEPLKKHOUPI-LBPRGKRZSA-N 414.508 3.415 0 40 HGAB C[C@H]1C[C@H](C)CN(Cc2csc(NC(=O)c3ccc4c(c3)OCC(=O)N4)n2)C1 22296699 BGSVFLARCJCLSQ-STQMWFEESA-N 400.504 3.204 0 40 HGAB O=C(Cn1nc(C2CC2)c2cnn(-c3cccc(Cl)c3)c2c1=O)NCc1ccco1 22767955 NWDBMTSTQMGSCD-UHFFFAOYSA-N 423.860 3.022 0 40 HGAB O=C(CCC(=O)N1CCN(Cc2cccs2)CC1)c1ccc2c(c1)OCCCO2 23762891 NKZKKTXMUPXYAZ-UHFFFAOYSA-N 414.527 3.217 0 40 HGAB CCn1c(=O)n(CCC(=O)NCc2ccc(OC(F)F)c(OC)c2)c2ccccc21 24077589 GGYCCIXKYOIUAA-UHFFFAOYSA-N 419.428 3.139 0 40 HGAB CCOc1ccc(/C=c2\sc3nc(/C=C/c4ccc(F)cc4)nn3c2=O)cc1OC 27023181 POGKMLQMMNUQQK-UZYLVVNOSA-N 423.469 3.416 0 40 HGAB O=S(=O)(c1ccc(F)cc1F)N1CCN(CCOc2ccccc2Cl)CC1 28741947 IDLGPGSTFUQZGS-UHFFFAOYSA-N 416.877 3.004 0 40 HGAB CCc1ccc(CN(C)C(=O)CN2CCN(c3cc(C)nc(C(C)C)n3)CC2)cc1 29632059 SZDOTCLKKJECAF-UHFFFAOYSA-N 409.578 3.251 0 40 HGAB CCOc1cccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccccc3F)CC2)c1 30755928 BOQUANUKMCPOBT-UHFFFAOYSA-N 420.506 3.405 0 40 HGAB COC(=O)C[C@@H](NC(=O)C[C@H](NC(C)=O)c1ccc(Cl)cc1)c1cccs1 32900557 AXPVARLUHCNEJA-JKSUJKDBSA-N 408.907 3.389 0 40 HGAB O=C(CC[C@@H]1NC(=O)NC1=O)NC[C@H](c1ccccc1Cl)c1c[nH]c2ccccc12 33029187 SEHKAWAOFJNVSS-BEFAXECRSA-N 424.888 3.058 0 40 HGAB O=C(c1ccc(Cl)cc1)[C@@H]1[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@H]2CCCN12 35380257 UPVXRZXAZJOAQF-YRXWBPOGSA-N 412.848 3.314 0 40 HGAB COCCOc1ccc(-c2noc([C@@H]3CCCN3Cc3ccc(C(=O)O)cc3)n2)cn1 35425383 LKZPMTWHCSGGJG-SFHVURJKSA-N 424.457 3.192 0 40 HGAB biogenic,in-vitro CCn1ccc(-c2cc(C(=O)NCCCn3nc(C)cc3C)c3c(C)noc3n2)n1 36618017 MZQLRMNMYHUPAU-UHFFFAOYSA-N 407.478 3.048 0 40 HGAB CC(C)(C)c1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)Nc1ccc(F)cc1F)O2 38853636 QRHJEIZQMXEXSM-GOSISDBHSA-N 424.469 3.428 0 40 HGAB C[C@]1(c2cccc(C(F)(F)F)c2)NC(=O)N(CC(=O)Nc2cccc(F)c2)C1=O 40116824 HCRQVJGCRNSTHF-GOSISDBHSA-N 409.339 3.250 0 40 HGAB C[C@H](NC(=O)C1CCN(Cc2ccccc2)CC1)c1ccc(S(C)(=O)=O)cc1 44857113 QQVWSEQSLUQBCX-KRWDZBQOSA-N 400.544 3.180 0 40 HGAB Cc1ccccc1N(CC(=O)Nc1ccc(Cc2ccncc2)cc1)S(C)(=O)=O 45294349 BHWZSDIDUXJYQY-UHFFFAOYSA-N 409.511 3.386 0 40 HGAB CCCOc1ccc(N2C(=O)C[C@H](N3CCN(/C=C/c4ccccc4)CC3)C2=O)cc1 49606617 WRJYASKCAQIGLQ-OTOIZHKDSA-N 419.525 3.396 0 40 HGAB COC(=O)COc1ccc(S(=O)(=O)Nc2ccc3oc(C(C)(C)C)nc3c2)cc1 55586250 FRLKBZLAIVKGJJ-UHFFFAOYSA-N 418.471 3.478 0 40 HGAB COc1ccc(CCNC(=O)c2cccc(COc3ccccc3C(N)=O)c2)cc1 58008945 SDWDLYOLZUGYSU-UHFFFAOYSA-N 404.466 3.346 0 40 HGAB O=S(=O)(Nc1cccc(OCCn2cccn2)c1)c1cnn(Cc2ccccc2)c1 58135512 UXNWYSSSCTWKLC-UHFFFAOYSA-N 423.498 3.008 0 40 HGAB Cc1c(-c2ccccc2)sc2ncnc(N3CCN(CC(=O)NC4CC4)CC3)c12 58160559 BVLHHCWJDVTLCJ-UHFFFAOYSA-N 407.543 3.067 0 40 HGAB Cc1ccccc1OC[C@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 65720982 VLEDTPWRAUEXKV-DLBZAZTESA-N 422.572 3.041 0 40 HGAB Cc1ccc(N2CCN(C(=O)c3sccc3NC(=O)c3cnccn3)CC2)cc1 67335907 XEEJDTJSAGVNTO-UHFFFAOYSA-N 407.499 3.061 0 40 HGAB COc1cccc2sc(N(C)CC(=O)N3CCN(c4ccccc4F)CC3)nc12 70640874 NFAGDXHMGDSXID-UHFFFAOYSA-N 414.506 3.229 0 40 HGAB COC(=O)c1ccc(NC(=O)CN2C(=O)C(c3ccccc3)=NC23CCCCC3)cc1 71327992 ZFKYEAHPLUMFRO-UHFFFAOYSA-N 419.481 3.404 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2cnc(N3CCOCC3)c(C)c2)cc1 72219350 WEPMQULHONIFTP-FQEVSTJZSA-N 401.532 3.061 0 40 HGAB COC[C@@H](Cc1ccccc1)NC(=O)Cc1csc(NC(=O)c2ccoc2C)n1 72309312 IQEHLYDVBPMGLT-MRXNPFEDSA-N 413.499 3.213 0 40 HGAB COc1cc(CN2CCC[C@@H](c3cc(=O)[nH]c(-c4ccncc4)n3)C2)cc(OC)c1 72392929 JXPXMUIHCQWMEW-GOSISDBHSA-N 406.486 3.229 0 40 HGAB Cn1c(CN2CCSCC2)cc(=O)c(O)c1CN1CCC(c2ccccc2)CC1 79477623 XACVQWWHWUXUOI-UHFFFAOYSA-N 413.587 3.019 0 40 HGAB C[C@@H]1CCc2c(sc(NC(=O)CSc3ncc4ccccn34)c2C(N)=O)C1 89930116 DQFWGGVZPOGYQL-LLVKDONJSA-N 400.529 3.350 0 40 HGAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCCCCN1CCC[C@@H]1CO 95428337 XGOSXZDPRLMINA-CQSZACIVSA-N 409.889 3.409 0 40 HGAB COc1ccc(NC(=O)COc2ccc(S(=O)(=O)NCCC(C)C)cc2)cc1 95446960 GCELOYAINMZEHW-UHFFFAOYSA-N 406.504 3.037 0 40 HGAB C[C@@H](NCCCOCc1ccco1)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 96013614 NOUXIHQKFFJZKE-NQIIRXRSSA-N 402.491 3.202 0 40 HGAB O=C(NCC1CC1)[C@H]1CCC2(CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)O1 96087259 TXNSXIITCIELPK-QGZVFWFLSA-N 410.436 3.385 0 40 HGAB O=C(NCC1CCN(C(=O)c2cccnc2)CC1)c1csc(-c2ccccc2)n1 96120508 DNIAETLZJJHZMG-UHFFFAOYSA-N 406.511 3.487 0 40 HGAB CC1(C)[C@H]2CC[C@@]1(C)C(=O)N(CC(=O)N1CCC(Oc3ccc(F)cc3)CC1)C2=O 100773253 WQDUHFPSXQEOIQ-MBSDFSHPSA-N 416.493 3.007 0 40 HGAB O=C1[C@@H]2ON=C(c3ncc(C(F)(F)F)cc3Cl)[C@H]2C(=O)N1Cc1ccccc1 100923343 OXKUMHSBMLQAKC-IUODEOHRSA-N 409.751 3.042 0 40 HGAB Cc1ccc(Oc2ccc(NC(=O)CN3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4C3)cn2)cc1C 103274692 HETDWUWXLCTSQT-QDGJQWLKSA-N 417.465 3.236 0 40 HGAB CCOC(=O)CN1C(=O)S/C(=C\c2ccc(-c3ccccc3C(=O)O)o2)C1=O 106742567 OHMJZYYZULOELA-DHDCSXOGSA-N 401.396 3.244 0 40 HGAB COc1ccccc1NC(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O 197656722 RUUHFQOYICMSKU-UHFFFAOYSA-N 403.287 3.407 0 40 HGAB O=C(Nc1cnn(C[C@H]2COc3ccccc3O2)c1)c1ccc(C(F)(F)F)nc1 206844040 FIIVPARZZVIJQF-AWEZNQCLSA-N 404.348 3.389 0 40 HGAB Cc1ccccc1OC[C@H](C)NC(=O)CCCN(c1ccccc1)S(C)(=O)=O 219174197 JBDHJDRJQNEQOF-SFHVURJKSA-N 404.532 3.125 0 40 HGAB COc1cccc(CCCNC(=O)c2ccc(N(C)S(C)(=O)=O)cc2Cl)c1 222519140 QOUUTYPZFRMXCI-UHFFFAOYSA-N 410.923 3.107 0 40 HGAB Cc1ccc(N(C)C(=O)COc2ccc(S(=O)(=O)N3CCCC3)cc2C)cc1C 222774548 OZFRKBBPXVWOPM-UHFFFAOYSA-N 416.543 3.438 0 40 HGAB CC(C)CNS(=O)(=O)Cc1cccc(NC(=O)CCc2ccc3c(c2)OCO3)c1 223231887 KLIHCBMOYXKLDD-UHFFFAOYSA-N 418.515 3.062 0 40 HGAB S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2C[C@@H]2CCCO2)N1C[C@@H]1CCCO1 223303458 RHNMNDDUBMMESE-USNOLKROSA-N 412.559 3.214 0 40 HGAB CN(c1cccc(C(=O)NCc2ccccn2)c1)S(=O)(=O)c1ccc(Cl)cc1 224270412 WSWDBCYNNYRNTM-UHFFFAOYSA-N 415.902 3.490 0 40 HGAB O=C(NCCCSCc1ccco1)c1cccc(N2CCCCS2(=O)=O)c1 224390453 HALCJRFGGOHGJO-UHFFFAOYSA-N 408.545 3.263 0 40 HGAB Cc1ccc(N(CC(=O)NCCSC2CCCC2)S(C)(=O)=O)cc1Cl 224929993 VKPXCKOQFPYOKX-UHFFFAOYSA-N 404.985 3.206 0 40 HGAB COc1ccccc1OC(=O)c1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)cc1 250392097 DTSMBWAPYBXECV-KIHPVRBWSA-N 415.445 3.472 0 40 HGAB O=C(O)CC[C@H](c1ccccc1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 408607246 KELRJFDZFKKVNN-LJQANCHMSA-N 422.934 3.252 0 40 HGAB Cc1ccc(C(=O)N[C@@H]2C(=O)N/[N+](=C\c3ccc(F)cc3)[C@@H]2c2ccccc2)cc1 409063601 AFOXKHJZUWXECS-DCFWFYTKSA-O 402.449 3.150 0 40 HGAB O=C1CNC(=O)c2ccc(C(=O)N3C[C@H](c4ccccc4)[C@H]4CCCC[C@@H]43)cc2N1 501393559 BJIDSJNYSWLHIG-QFUCXCTJSA-N 403.482 3.167 0 40 HGAB CNC(=O)c1cccc(CN2C(=O)N[C@](Cc3ccccc3)(c3ccccc3)C2=O)c1 504570601 LXIWWSLEMFIHHU-RUZDIDTESA-N 413.477 3.236 0 40 HGAB O=C1CCCN1C[C@H](NC[C@H](O)COc1ccccc1)c1cccc(C(F)(F)F)c1 539220834 LYRUVBBMHSMZMJ-ICSRJNTNSA-N 422.447 3.398 0 40 HGAB O=S(=O)(NCC[C@@H](CCO)c1ccsc1)c1ccc(OC(F)(F)F)cc1 575608720 XMMYJSUQTYWTKM-LBPRGKRZSA-N 409.451 3.481 0 40 HGAB CN1CCN(C(=O)Cc2cccc(F)c2)[C@@H](Cc2cccc(-c3ccncc3)c2)C1=O 585168988 CCIUIZARQUSKIY-QHCPKHFHSA-N 417.484 3.342 0 40 HGAB O=C1C[C@@H](CN2C(=O)NC3(CCCCC3)C2=O)CN1Cc1ccc(F)c(Cl)c1 2298050215 OFSRHPWUNCROMU-CQSZACIVSA-N 407.873 3.082 0 40 HGAB Cn1c(=O)[nH]c(=O)c2c1nc(SCCc1ccccc1)n2CCCc1ccccc1 626292 VUUWESQTSOFGON-UHFFFAOYSA-N 420.538 3.391 0 40 HGAB CCOC(=O)c1c(NC(=O)COC(=O)c2ccccc2O)sc2c1CCCC2 3272227 XSRQNNPGNPFGEO-UHFFFAOYSA-N 403.456 3.305 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2cccc(C)c2C)cc1 3339272 GHALRKLZMSMKMP-UHFFFAOYSA-N 418.515 3.129 0 40 HGAB CN(C)CCCN(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C(=O)Nc1ccccc1 4231303 SJRADJZJNBROCF-UHFFFAOYSA-N 422.485 3.243 0 40 HGAB CC(C)(C)c1ccccc1NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 5443254 MHALIZIHCGYOTR-UHFFFAOYSA-N 402.516 3.257 0 40 HGAB COCCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc(F)cc1 5861437 ABELMVSTCDEVMU-UHFFFAOYSA-N 400.479 3.385 0 40 HGAB COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1oc2ccc(F)cc2c1C 6657959 QJVNOEMRBYJZAO-UHFFFAOYSA-N 409.417 3.406 0 40 HGAB C[C@H](Oc1ccc2c3c(c(=O)oc2c1)CCCC3)C(=O)NC[C@H](O)c1ccccc1 6660050 YBPCEWKQGBHPHP-BTYIYWSLSA-N 407.466 3.289 0 40 HGAB CNc1nnc(SCC(=O)N[C@@H](c2ccc3c(c2)OCCCO3)C(C)C)s1 7383312 JDIXGRUWUJPOOY-MRXNPFEDSA-N 408.549 3.347 0 40 HGAB Cc1ccccc1CSCCNC(=O)[C@@H](C)N(c1ccc(F)cc1)S(C)(=O)=O 7872051 LIVUFSRBWQIEPB-MRXNPFEDSA-N 424.563 3.338 0 40 HGAB Cc1ccc(NC(=O)CN2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)c(C)c1 7875086 ADRZVFWSBBDAOP-UHFFFAOYSA-N 409.486 3.321 0 40 HGAB Cc1cc(-n2c(C)cc(C(=O)CSc3nnnn3-c3ccc(O)cc3)c2C)no1 8190698 SDUUZNBBKRQMIF-UHFFFAOYSA-N 410.459 3.047 0 40 HGAB COc1ccc(CNC(=O)c2ccc3c(=O)n4c(nc3c2)CCCCCC4)cc1OC 8276319 KBXVTDFWGHMFMJ-UHFFFAOYSA-N 421.497 3.460 0 40 HGAB CCN(CC)C(=O)CSc1nc(O)c(Cc2ccccc2)c(=O)n1-c1ccccc1 8672367 FMGQSNGHLIFPAY-UHFFFAOYSA-N 423.538 3.489 0 40 HGAB CCC(=O)N(c1nnc(SCC(=O)c2ccc(O)c(NC(C)=O)c2)s1)C1CC1 9580399 VJDHLRFVYYLJIA-UHFFFAOYSA-N 420.516 3.083 0 40 HGAB COc1cccc(-c2noc(CN3C(=O)N[C@](C)(c4ccc5c(c4)CCC5)C3=O)n2)c1 9749775 CBPYSGRCFNUPPJ-HSZRJFAPSA-N 418.453 3.201 0 40 HGAB O=C(COc1cccc2c1CCC2=O)Nc1ccc(I)cc1 10197686 YHAWPYMIPUJQBK-UHFFFAOYSA-N 407.207 3.438 0 40 HGAB COc1cn(CC(=O)Nc2ccccc2C)c(CSc2nnc(C)s2)cc1=O 10254796 PXKYTVDDWLYGAT-UHFFFAOYSA-N 416.528 3.256 0 40 HGAB Cc1cc2oc(=O)cc(COC(=O)c3ccccc3NS(C)(=O)=O)c2cc1Cl 10265593 GCBIVHITGLJGEJ-UHFFFAOYSA-N 421.858 3.483 0 40 HGAB O=C(c1ccc(Br)cc1)N1CCC(NS(=O)(=O)c2ccccc2)CC1 11154028 UPYJMMWRYWIBTN-UHFFFAOYSA-N 423.332 3.032 0 40 HGAB COc1ccc(C(=O)NCC2(c3ccccc3)CCCC2)cc1S(=O)(=O)N(C)C 12101243 KHGAUPQVYQIBJW-UHFFFAOYSA-N 416.543 3.187 0 40 HGAB CC[C@@H](Cn1nc(-c2cccs2)ccc1=O)NC(=O)CCn1cnc2ccccc21 12117881 HWMFUPYVOPCQFU-INIZCTEOSA-N 421.526 3.307 0 40 HGAB Cc1cccc(S(=O)(=O)N2CCN(c3cc(Oc4ccccc4)nc(C)n3)CC2)c1 12225049 GMOFNIGWJQLZFB-UHFFFAOYSA-N 424.526 3.397 0 40 HGAB CCCCN(C(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1)c1ccccc1 12874378 UGCGXNNRGXOERX-UHFFFAOYSA-N 422.572 3.145 0 40 HGAB Cc1cc2ncc(C(=O)Nn3cnc4scc(-c5ccccc5)c4c3=O)c(C)n2n1 12976082 HUZNXOTVHAPRML-UHFFFAOYSA-N 416.466 3.168 0 40 HGAB C[C@H](OC(=O)[C@H]1CCCN1C(=O)c1cccs1)C(=O)Nc1ccc2c(c1)CCC2 12988112 JURCVWHLOYFFQC-KBXCAEBGSA-N 412.511 3.412 0 40 HGAB O=C(Nc1nnc(C2CC2)s1)[C@H]1CC(=O)N(c2ccccc2Br)C1 12990251 BZEHRACWXNRZFJ-JTQLQIEISA-N 407.293 3.170 0 40 HGAB C[C@@H](C(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1)N1CCC(O)CC1 13004561 HPXYSSKTIMXCJF-IFXJQAMLSA-N 401.894 3.456 0 40 HGAB O=C(NCCc1ccccc1F)[C@H]1CCCN(C(=O)Cc2c[nH]c3ccccc23)C1 13719584 MRWIMKARGDLNBO-SFHVURJKSA-N 407.489 3.447 0 40 HGAB CCOc1ccc(-c2cc(=O)n(CC(=O)NCCc3c[nH]c4ccccc34)cn2)cc1 13809438 HYKSUBFDRMMKCE-UHFFFAOYSA-N 416.481 3.149 0 40 HGAB O=C1CCSc2ccc(C(=O)N3CCC(n4c(=O)[nH]c5ccccc54)CC3)cc2N1 14180473 LFZFFDNHKKNAHQ-UHFFFAOYSA-N 422.510 3.241 0 40 HGAB Cc1nc2nc(N)nn2c(C)c1CCC(=O)NCC(c1ccccc1)c1ccccc1 14198934 XWQHJFIPAKCAAB-UHFFFAOYSA-N 414.513 3.204 0 40 HGAB CCCn1c(NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)nc2ccccc21 14626210 VEJAFIPWBFKAFY-UHFFFAOYSA-N 420.922 3.359 0 40 HGAB COc1ccc([C@H]2CCCN2CC(=O)Nc2ccc(CN3CCOCC3)cc2)cc1 15452777 WGTYKETVDWXNJS-HSZRJFAPSA-N 409.530 3.303 0 40 HGAB Cc1oc(-c2ccccc2)nc1Cn1c(=O)n(C[C@H]2CCCO2)c(=O)c2ccccc21 15829302 CLDZOKTVYVOOMH-GOSISDBHSA-N 417.465 3.354 0 40 HGAB COc1ccccc1NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 17091441 SKESXQMZGOYZSR-UHFFFAOYSA-N 418.496 3.297 0 40 HGAB COc1ccccc1-c1cc2ncc3c(n2n1)C[C@@H]1CC[C@H]3N1C(=O)c1ccn(C)n1 19290854 PGCNGFHYCPRTJD-IFXJQAMLSA-N 414.469 3.040 0 40 HGAB CC(C)N1CCc2c(O)nc(C3CCN(C(=O)[C@@H](C)c4ccccc4)CC3)nc2C1 19448439 YQONDVWXRZNWFT-KRWDZBQOSA-N 408.546 3.458 0 40 HGAB CC(C)OCc1ccc(C(=O)N2CCN([C@H](c3ccccc3)c3nccn3C)CC2)o1 19450476 ITQVKAWVYLVDDP-JOCHJYFZSA-N 422.529 3.486 0 40 HGAB C[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)c1ccc2c(c1)CCCO2 19458853 VRBXELJUSHBNJQ-YJBOKZPZSA-N 422.481 3.013 0 40 HGAB COc1cc(C(=O)N2CCC(c3nnc4n3CCCCC4)CC2)cc(OC)c1OC 19549501 WRJBNDUICSAWHI-UHFFFAOYSA-N 414.506 3.050 0 40 HGAB COc1cccc(-c2cccc(C[C@@H]3CN(C(=O)c4ccncc4)CCNC3=O)c2)c1 19566713 NIUKSDVYYMTLGQ-JOCHJYFZSA-N 415.493 3.188 0 40 HGAB Cc1cc(C)n(CC(=O)NCCn2ncc(-c3ccncc3)c2-c2cccs2)n1 19573486 VHUDHDDWKIXSMY-UHFFFAOYSA-N 406.515 3.303 0 40 HGAB Cc1nn(C[C@@H](C)C(=O)N2CC[C@H](c3cc4ncccc4c(=O)[nH]3)C2)c(C)c1Cl 19578048 UTVVOJQVJXNTPQ-DOMZBBRYSA-N 413.909 3.042 0 40 HGAB CC(C)CNC(=O)c1cc([C@@H]2CN(C(=O)c3ccncc3)CCO2)nc2ccccc12 19759276 QAZJQHLDYNVYME-QFIPXVFZSA-N 418.497 3.229 0 40 HGAB COc1ccc(NC(=O)c2ccc(CS(=O)(=O)N3CCCCC3)cc2)c(OC)c1 20454189 KSQLUCZRIITXJP-UHFFFAOYSA-N 418.515 3.272 0 40 HGAB CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(N3CCCC3=O)c(C)c2)c(C)c1 20459173 MBMDIXOPUXUYFM-UHFFFAOYSA-N 416.499 3.408 0 40 HGAB Cc1cccc(N(CC(=O)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)S(C)(=O)=O)c1 22327547 QIWYDOWCFLLHIP-LJQANCHMSA-N 416.543 3.488 0 40 HGAB Cc1noc(C)c1COc1ccc(CC(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)cc1 24021000 ZDZSPDVBESHTTJ-UHFFFAOYSA-N 419.437 3.277 0 40 HGAB COC(=O)c1ccoc1CN1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 25143430 GBPNTRBTLMQHHS-UHFFFAOYSA-N 403.788 3.456 0 40 HGAB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)[C@@H]1CCCN(C(=O)c2ccco2)C1 25322236 FNCVQGMFSNKEJD-HXUWFJFHSA-N 420.513 3.310 0 40 HGAB COc1ccc(CSc2nnc(Nc3ccc(C)cc3C)c(=O)n2N)cc1OC 28536021 CRFIOEYUGNCEMQ-UHFFFAOYSA-N 413.503 3.022 0 40 HGAB CC(=O)Nc1cccc(-n2c(C)nn(C[C@@H](O)COc3ccc(F)cc3)c2=S)c1 28919537 YMAHHKWBQPXRLP-GOSISDBHSA-N 416.478 3.249 0 40 HGAB COc1cc2ncn(CCCC(=O)NC[C@H](C)c3ccccc3)c(=O)c2cc1OC 32845714 LKKPEOIAKRJGGX-INIZCTEOSA-N 409.486 3.114 0 40 HGAB O=C(OCCN1C(=O)c2ccccc2C1=O)c1ccc(COCC(F)(F)F)cc1 32869329 NBOVMVGFNSZRCM-UHFFFAOYSA-N 407.344 3.219 0 40 HGAB CC(=O)NC12C[C@H]3C[C@@H](C1)CC(C(=O)N1CCO[C@H](c4ccc(F)cc4)C1)(C3)C2 34863214 VUXWGLKVNHPYSS-UPROZWONSA-N 400.494 3.201 0 40 HGAB CC(=O)Nc1ccccc1OCc1noc(C(=O)NCc2cccc(Cl)c2)n1 36365312 OEHVAHLHFZIKGN-UHFFFAOYSA-N 400.822 3.190 0 40 HGAB Cc1nc2ccccc2n1CC1CCN(CC(=O)NCc2ccc3c(c2)OCO3)CC1 38488539 NFOKZKVAOTXBBD-UHFFFAOYSA-N 420.513 3.102 0 40 HGAB CC[C@@H](C)NC(=O)CN1CCN(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 40098595 KUDVESVBWJZVGC-GFCCVEGCSA-N 420.863 3.423 0 40 HGAB Cc1cc(C)n2nc(C(=O)Nc3ncc(Cc4ccc(F)c(F)c4F)s3)nc2n1 40110713 MSHDOWPMXFHWTA-UHFFFAOYSA-N 418.404 3.458 0 40 HGAB O=C(OCc1nnc(-c2ccc(Cl)cc2)o1)[C@@H]1CCCN(C(=O)N2CCCC2)C1 41694552 DBWJACKTJPZELA-OAHLLOKOSA-N 418.881 3.361 0 40 HGAB COc1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 44883253 JQMIEYSTDUIVKH-LJQANCHMSA-N 416.543 3.308 0 40 HGAB O=C(NCc1ccc(-c2ccn[nH]2)cc1)Nc1cccc(Cn2cccnc2=O)c1 48331753 YZCJJMAEBBPRMT-UHFFFAOYSA-N 400.442 3.003 0 40 HGAB O=C(CSc1ncnc2nc(N3CCOCC3)sc12)Nc1ccc(Cl)cc1 57506998 KWRAJOLTDPCPAB-UHFFFAOYSA-N 421.935 3.307 0 40 HGAB COc1ccc(Br)cc1S(=O)(=O)Nc1ccc(C)cc1C(=O)O 58364151 KCZOYJDUKWNRQX-UHFFFAOYSA-N 400.250 3.265 0 40 HGAB CC[C@](C)(CNC(=O)Nc1ccc(C(=O)Nc2nccs2)cc1)N1CCOCC1 58438409 DBKPEQXYKJIJBQ-HXUWFJFHSA-N 417.535 3.018 0 40 HGAB CCn1c([C@@H]2CCCN2C(=O)CCNC(=O)OCC(F)(F)F)nc2ccccc21 60353015 HNQNPPLLTFNPHS-HNNXBMFYSA-N 412.412 3.398 0 40 HGAB O=C(NCc1ccccc1)C(=Cc1cccc2nccn12)C(=O)NCc1ccccc1 89835025 YFIXDDMJNZIIOE-UHFFFAOYSA-N 410.477 3.351 0 40 HGAB COC(=O)c1nc(NC(=O)CCCc2nnc3ccccn23)sc1CC(C)C 96116580 GIPLKYBOTLZUOU-UHFFFAOYSA-N 401.492 3.132 0 40 HGAB Cc1ccc(-n2nc3c4cc(C(=O)NC[C@@H]5CCCO5)ccc4[nH]cc-3c2=O)cc1 101281958 UQRRCPFWBMMTIC-KRWDZBQOSA-N 402.454 3.036 0 40 HGAB O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)Nc1ccccc1N1CCc2ccccc21 105630790 HJKWPQDUHYSIJE-ZCVTWQBDSA-N 413.477 3.126 0 40 HGAB COc1ccccc1CNC(=O)[C@@H](C)N(c1ccc(C)c(Cl)c1)S(C)(=O)=O 220357864 XYOPQWSBDTUZTP-CQSZACIVSA-N 410.923 3.128 0 40 HGAB C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](Cc2nc(-c3ccsc3)no2)C1 220919498 QGDXIPXOHJNHPM-KBPBESRZSA-N 420.535 3.492 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)Nc2ccc3sncc3c2)cc1 222746382 DHRYMXGYWVZOJT-UHFFFAOYSA-N 419.528 3.344 0 40 HGAB COC(=O)c1cc(S(=O)(=O)NCCCc2cccc(OC(C)C)c2)ccc1C 222888030 QZVRGIMZFZXHIB-UHFFFAOYSA-N 405.516 3.480 0 40 HGAB CCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CCc1ccc2c(c1)OCCO2 222980663 GDGGCMKECLYMEX-INIZCTEOSA-N 414.477 3.083 0 40 HGAB CCOC(=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)CC)c1C 223151300 AKJDSMYHSVDDCS-UHFFFAOYSA-N 416.499 3.272 0 40 HGAB CN(CCNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2)c1)c1ccccc1 223927540 CGUUJFBEQLWJDA-UHFFFAOYSA-N 409.511 3.354 0 40 HGAB CCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCc1ccc2c(c1)OCCO2 225068691 BGOXNJPYPSBKBN-IBGZPJMESA-N 424.541 3.376 0 40 HGAB CC[C@@H](C(=O)Nc1nnc(SC)s1)N(c1cc(C)cc(C)c1)S(C)(=O)=O 225299351 VOWSFNHVXJFVLZ-ZDUSSCGKSA-N 414.578 3.060 0 40 HGAB COc1ccc(-c2nnc(NC(=O)c3ccc(CN4CCOCC4)cc3)s2)cc1 225592727 DNHZTQLJCJYWRX-UHFFFAOYSA-N 410.499 3.298 0 40 HGAB O=C(O)c1ccc(=O)n(CCn2cc(-c3ccncc3)c(-c3ccc(F)cc3)n2)c1 257214016 CKDUVJYIYURDNI-UHFFFAOYSA-N 404.401 3.311 0 40 HGAB CC1(C)Oc2cc(O)ccc2[C@H]2OCC3(CCN(C(=O)c4cnccn4)CC3)C[C@@H]21 257214430 CLYNOHYHTAWQIL-FXAWDEMLSA-N 409.486 3.353 0 40 HGAB CC(C)n1cnc([C@H]2CN(Cc3cnn(C(C)C)c3)C[C@]23CCN(CC2CC2)C3=O)c1 306136926 QGVMCKNBZDVLLY-ZJSXRUAMSA-N 424.593 3.470 0 40 HGAB COc1cc2c(cc1C)C(=O)[C@@H]([C@@]1(O)C(=O)Nc3ccc(Br)cc31)CC2 408567146 PVNHVTGUMIIHAG-XOBRGWDASA-N 416.271 3.351 0 40 HGAB Cc1cccc(C)c1N1C[C@@H](C(=O)Oc2cccc(N3C(=O)CCCC3=O)c2)CC1=O 408668761 QZSPIJHYHOBUCN-KRWDZBQOSA-N 420.465 3.305 0 40 HGAB Cc1cc(C)c(C)c(-c2c3c(nc4c2c(=O)n(C)c(=O)n4C)-c2ccccc2[C@@H]3O)c1 408986231 ORSGIAIZFHGAHL-QFIPXVFZSA-N 413.477 3.287 0 40 HGAB Cc1ccc(F)cc1NC(=O)CSc1nnc(CC(=O)Nc2ccccc2)n1C 409328469 VURHDSQRJZCOCM-UHFFFAOYSA-N 413.478 3.175 0 40 HGAB Cc1ccc(CN2C[C@@H](C(=O)NCc3ccc(Br)cc3)CC2=O)cc1 518576870 CFHSBEZAMJVTCD-KRWDZBQOSA-N 401.304 3.422 0 40 HGAB Cc1cc(C(=O)N[C@@H]2CC3(CCN(C)CC3)Oc3ccccc32)c2c(C)nn(C)c2n1 520495537 APURYWHWMJIMKO-LJQANCHMSA-N 419.529 3.303 0 40 HGAB CCCCCOc1ccc2cc(-c3noc([C@@H]4[C@@H](O)CCN4C(=N)N)n3)ccc2c1 653887521 MTWCULNGBZCYBX-OALUTQOASA-N 409.490 3.460 0 40 HGAB Cc1c(Br)cccc1S(=O)(=O)N1CCN(C)C[C@@H]1c1ccccc1 1196523135 PJKRWVZGASADEI-QGZVFWFLSA-N 409.349 3.435 0 40 HGAB O=C(c1cccc2ccccc12)N1CCC(Cn2nc(-n3cccn3)ccc2=O)CC1 1775968246 AKEKCIGEYYHUTD-UHFFFAOYSA-N 413.481 3.135 0 40 HGAB O=C(NCC1(N2CCSCC2)CCOCC1)Nc1cccc(C(F)(F)F)c1 1888867131 XCEUOGCGUOSVRW-UHFFFAOYSA-N 403.470 3.425 0 40 HGAB CN(Cc1ccccn1)C(=O)C1=NO[C@@]2(CCCN(C(=O)CC3=CCCCC3)C2)C1 2055834963 LEAOGMKVHVBUQO-QHCPKHFHSA-N 410.518 3.068 0 40 HGAB COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NC3CCCCC3)cc2)cc1 667693 FHTAZRPSFMFFCX-UHFFFAOYSA-N 418.515 3.324 0 40 HGAB COc1cc(C[C@H](C(=O)O)[C@@H](C)C(=O)c2ccc3c(c2)OCO3)cc(OC)c1OC 1668744 OZTLVHLVDYEZNN-DOMZBBRYSA-N 416.426 3.203 0 40 HGAB CCOc1ccc(NC(=O)[C@@H](C)N(c2ccc(OCC)cc2)S(C)(=O)=O)cc1 2481252 QTFHENFSUIWIPW-OAHLLOKOSA-N 406.504 3.277 0 40 HGAB CC(=O)Nc1ccc(S(=O)(=O)N2CCN=C2SCc2cccc(F)c2)cc1 2711425 HPTNGHIENOSXAH-UHFFFAOYSA-N 407.492 3.078 0 40 HGAB Cc1ccccc1Nc1nnc(SCC(=O)NC(=O)NCc2ccco2)s1 3465435 FFMKIQOVUJJMQC-UHFFFAOYSA-N 403.489 3.301 0 40 HGAB COc1cccc(NC(=S)N(CCCO)Cc2cc3ccc(C)cc3[nH]c2=O)c1 4161939 ATCOEHBXSMMLQT-UHFFFAOYSA-N 411.527 3.427 0 40 HGAB C[C@@H](CC(=O)NCCc1ccccc1)CC(=O)N1CCN(c2ccccc2F)CC1 4678016 BVYXXLDINDKXPU-IBGZPJMESA-N 411.521 3.250 0 40 HGAB COc1ccc(NC(=O)CCCC(=O)NCCc2ccc(OC)c(OC)c2)cc1 4680438 ZQYHGTINCWYQNK-UHFFFAOYSA-N 400.475 3.180 0 40 HGAB CCn1c(CNC(=O)[C@@H]2CC(=O)N(c3ccc(OC)cc3OC)C2)cc2ccccc21 4973470 GKOSKPGCAOIMNH-QGZVFWFLSA-N 421.497 3.348 0 40 HGAB COc1ccccc1/C=C(/C(=O)OCC(=O)N1C[C@H](C)O[C@@H](C)C1)c1ccccc1 4995824 YRMVOLBATSZWRK-PMOZRXSBSA-N 409.482 3.415 0 40 HGAB CCOC(=O)COc1ccc(/C=C2/N=C(c3cccs3)OC2=O)cc1OCC 5000745 UWZMPAAPBVHFOS-GXDHUFHOSA-N 401.440 3.433 0 40 HGAB O=C(OCCCc1ccncc1)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 5200894 VGUVTETXPIBPHO-UHFFFAOYSA-N 408.907 3.309 0 40 HGAB COc1ccc(C(C)=O)cc1COC(=O)CCC(=O)N1CCC(c2ccccc2)=N1 5435213 XGGVVDNWEQTEFX-UHFFFAOYSA-N 408.454 3.358 0 40 HGAB O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1cc(Cl)cc(Cl)c1 5633627 BZBGLJLXLXYDRI-UHFFFAOYSA-N 415.298 3.267 0 40 HGAB CC(C)(C)c1ccc(C(=O)CN2C(=O)N[C@](C)(c3ccc4c(c3)OCO4)C2=O)cc1 5937749 OXXFGMNWIQVHDK-HSZRJFAPSA-N 408.454 3.363 0 40 HGAB COc1cccc(C(=O)OCC(=O)Nc2cccc(I)c2)c1 6486639 QLTDITCQNBFQJU-UHFFFAOYSA-N 411.195 3.095 0 40 HGAB CC1CCC2(CC1)NC(=O)N(CC(=O)N(C)[C@@H](C)c1nc3ccccc3s1)C2=O 6842753 CZRJGBTWLZYFBL-GJGORFQUSA-N 414.531 3.316 0 40 HGAB Cc1cccc(/C=C/C(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)c1 6928167 ZMJBXKQIPJDTDQ-CMDGGOBGSA-N 404.919 3.195 0 40 HGAB CCOc1cc(C(=S)N2CCOCC2)ccc1OCC(=O)Nc1ccc(C)cc1 6960816 HFKZYCFOFPFIPL-UHFFFAOYSA-N 414.527 3.419 0 40 HGAB C[C@]1(c2cc(F)ccc2F)NC(=O)N(Cc2cc(Cl)cc3c2OCOC3)C1=O 7007088 IDTHANPEKJZRMI-LJQANCHMSA-N 408.788 3.452 0 40 HGAB COc1ccc(C(=O)NC(=S)Nc2sc3c(c2C(N)=O)CCCCC3)cc1 7067429 ZDCFHZWFYDWGOV-UHFFFAOYSA-N 403.529 3.251 0 40 HGAB C[C@H](OC(=O)c1n[nH]c(=O)c2ccccc12)C(=O)c1ccc(NC(=O)C(C)(C)C)cc1 7676053 XHADUUQVXJBJNM-ZDUSSCGKSA-N 421.453 3.336 0 40 HGAB O=C(COc1ccc(F)cc1)OCc1cc(=O)n2nc(-c3cccs3)sc2n1 8605646 HJUOHAVQHUXHNC-UHFFFAOYSA-N 417.443 3.141 0 40 HGAB Cc1ccc(S(=O)(=O)c2cn(CC(=O)NC[C@H]3CCCO3)c3ccccc23)cc1 8865373 ZGFARIGKOGWJQV-QGZVFWFLSA-N 412.511 3.078 0 40 HGAB CCc1ccc(OC)c(S(=O)(=O)Nc2ccc3c(c2)OCC(C)(C)C(=O)N3)c1 9169117 HTSVFACIBSOQFA-UHFFFAOYSA-N 404.488 3.416 0 40 HGAB CCOC(=O)N1CCN(c2ncnc3c2cnn3-c2cc(Cl)ccc2C)CC1 9518702 ITZVROGFQOXKRV-UHFFFAOYSA-N 400.870 3.056 0 40 HGAB CC(C)C(=O)Nc1ccc(C(=O)CN2C(=O)N[C@@]3(CCCc4ccccc43)C2=O)cc1 9587079 YWWCOEVZXQVNHH-XMMPIXPASA-N 419.481 3.247 0 40 HGAB CCOc1ccc(NC(=O)Cn2c(=O)n(-c3ccccc3)c(=O)c3sccc32)cc1 9598628 WKVZXHQPZVYREF-UHFFFAOYSA-N 421.478 3.251 0 40 HGAB COC(=O)c1ccc(NC(=O)CN(c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)cc1 10362881 MAIOHISQOORCRJ-UHFFFAOYSA-N 418.515 3.175 0 40 HGAB Cc1cc(C(=O)N2CCC3(CC2)C[C@]2(CO3)Nc3ccccc3-n3cccc32)on1 12086211 DCWHLTWULIMXQD-HSZRJFAPSA-N 404.470 3.490 0 40 HGAB COc1ccc(CCNC(=O)[C@H]2CCCN(C(=O)c3cc4ccccc4[nH]3)C2)cc1 12389388 GXACDBMSFABSRL-IBGZPJMESA-N 405.498 3.388 0 40 HGAB COC[C@H](C)NC(=O)[C@@H](C)SCc1nc2scc(-c3ccccc3)c2c(=O)[nH]1 12778362 XGENUBGDCTYUFB-QWHCGFSZSA-N 417.556 3.424 0 40 HGAB CCNC(=O)NC(=O)COC(=O)c1cc2c(C)nn(-c3ccc(Cl)cc3)c2s1 12811633 GXVRCXNTADREIH-UHFFFAOYSA-N 420.878 3.051 0 40 HGAB COc1ccccc1[C@H](C)NC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 12854579 UFYBQILYMNQJOI-INIZCTEOSA-N 402.516 3.361 0 40 HGAB O=S(=O)(c1cc(F)ccc1F)N1CCN(Cc2ncc(-c3ccccc3)o2)CC1 12974555 YJFBGDLHPPJTPG-UHFFFAOYSA-N 419.453 3.126 0 40 HGAB Cc1ccc2oc(C(=O)N3CCC[C@H]3c3cc4nc(C)cc(O)n4n3)cc(=O)c2c1 13227563 KWCDMLWWLFOTPN-INIZCTEOSA-N 404.426 3.135 0 40 HGAB CC(C)c1nc2oc3c(=O)n(CC(=O)NCc4ccco4)cnc3c2c2c1CCC2 13723634 GLVUBHGTNUTSRO-UHFFFAOYSA-N 406.442 3.059 0 40 HGAB O=C(NCCSc1ccccc1)C1CCN(S(=O)(=O)c2cccs2)CC1 15136598 WDUOOLXRXNOXIA-UHFFFAOYSA-N 410.586 3.057 0 40 HGAB O=C1CCC(=O)N1Cc1ccc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1 15601997 CAIUIMPZNFQUQF-LJQANCHMSA-N 420.465 3.084 0 40 HGAB O=C(Cn1cnc2ccccc2c1=O)Nc1cc(C(F)(F)F)ccc1-n1cccn1 15640555 ZOZPVSVZBGIIHO-UHFFFAOYSA-N 413.359 3.240 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)cc1C 18176506 VKURCQOUDQARDH-UHFFFAOYSA-N 407.923 3.495 0 40 HGAB Cc1nc(C)n(C[C@H](C)C(=O)N2CCC[C@H](c3nc(C)n4c(C)csc34)C2)n1 19240384 MHMWHZHZKINPRQ-SJCJKPOMSA-N 400.552 3.263 0 40 HGAB Cn1cc(-c2ccnc(N3CCCC3)n2)c([C@H]2CCCN2C(=O)c2ccccc2)n1 19290235 RDIBEUVMNBVZDB-HXUWFJFHSA-N 402.502 3.455 0 40 HGAB COc1ccccc1C(=O)N1CCN(C(=O)c2ccccc2CN2CCCCC2)CC1 19654671 HAKCGVRZFWPDBX-UHFFFAOYSA-N 421.541 3.279 0 40 HGAB COc1ccc(CN2C(=O)CCCC[C@@H]3[C@@H]2CCN3Cc2cnc(N(C)C)nc2)cc1 19713192 OXXJJSIUWRVUFH-YADHBBJMSA-N 423.561 3.097 0 40 HGAB CS(=O)(=O)Nc1cccc(C(=O)OCC(=O)c2ccc(Cl)cc2Cl)c1 21095167 KSLHLVQJFRFAQH-UHFFFAOYSA-N 402.255 3.405 0 40 HGAB COCCN(CCOC)C(=O)c1cc2c(C)nn(Cc3ccc(F)cc3)c2s1 21275110 ICTQLEHOCSANKC-UHFFFAOYSA-N 405.495 3.329 0 40 HGAB O=C(c1cc(-c2cccs2)on1)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 21524183 SEKMNTGXLFNYOE-LBPRGKRZSA-N 408.526 3.294 0 40 HGAB CC(=O)c1cccc(OCC(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)c1 21834366 ZTTYLDNZUICIBZ-UHFFFAOYSA-N 411.483 3.353 0 40 HGAB CCOC(=O)c1c(NC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)sc(C)c1C 22829563 DWKQPCSWLOYBSB-UHFFFAOYSA-N 424.544 3.109 0 40 HGAB COc1ccc2sc(N(CCCN3CCOCC3)C(=O)c3ccco3)nc2c1 22997517 GFWIJEOUWWQSIO-UHFFFAOYSA-N 401.488 3.267 0 40 HGAB Cc1cc(S(=O)(=O)N2CCN(C)C[C@@H]2c2ccccc2)ccc1Br 25909895 HKSOYPVSLUTOCV-GOSISDBHSA-N 409.349 3.435 0 40 HGAB CCCC[C@H](CC)CNC(=O)CCc1nc2cc(S(N)(=O)=O)ccc2n1CCC 29707580 RITBGYYDOXWCBK-INIZCTEOSA-N 422.595 3.359 0 40 HGAB CCOC(=O)c1cnn(-c2cccc(NC(=O)c3cn(-c4ccccc4)nn3)c2)c1C 31389850 FRAOTQSALKUVRX-UHFFFAOYSA-N 416.441 3.190 0 40 HGAB CN(C)Cc1nc(SCC(=O)Nc2ccc3c(c2)OCCO3)c2ccccc2n1 31619040 GHBPFJXAPWNMDB-UHFFFAOYSA-N 410.499 3.193 0 40 HGAB CCN(CC)[C@H](CNC(=O)C1CCN(C(=O)c2ccoc2)CC1)c1ccsc1 31984097 GKDIQZLAYOISHZ-LJQANCHMSA-N 403.548 3.393 0 40 HGAB O=C(CCCc1ncc(-c2ccccc2)o1)NCc1cccnc1N1CCOCC1 32637848 DTGWSYHHCFXKND-UHFFFAOYSA-N 406.486 3.212 0 40 HGAB CC(=O)c1cccc(N2C(SCc3ccc(F)cc3)=N[C@H]3CS(=O)(=O)C[C@H]32)c1 32639941 YOTXVGJLEHRKLA-RBUKOAKNSA-N 418.515 3.303 0 40 HGAB CN(C[C@@H]1COc2ccccc2O1)C(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1 32845352 FGSVGLZKBVAHOD-GOSISDBHSA-N 424.884 3.462 0 40 HGAB O=C(Nc1nnc(Cc2ccccc2)s1)[C@@H]1CC(=O)N(CCc2ccccc2)C1 32971618 ZHNVMFXGJGXFLY-GOSISDBHSA-N 406.511 3.159 0 40 HGAB CCC[C@H](c1nnnn1C[C@H]1CCCO1)N1CCN(c2cccc(Cl)c2)CC1 35291460 DLOHUQLFLSYEHQ-RTBURBONSA-N 404.946 3.169 0 40 HGAB COc1ccc(-n2cnc3cc(C(=O)N4CCSCC4)ccc3c2=O)cc1Cl 36357236 UZSPJDMEWWSBJS-UHFFFAOYSA-N 415.902 3.237 0 40 HGAB C[C@H]1CN(Cc2ccc(C(=O)N[C@@H]3CCN(Cc4ccccc4)C3)cc2)C[C@@H](C)O1 36395391 YFRVCXMULMTCAR-JXALWOEJSA-N 407.558 3.300 0 40 HGAB O=C(Nc1cccc(-c2ccc(N3CCOCC3)nn2)c1)c1cc(-c2ccco2)on1 38486341 FKRYGIORRHITHK-UHFFFAOYSA-N 417.425 3.481 0 40 HGAB Cc1nccn1-c1cc(NCCNC(=O)C(C)(C)Oc2ccc(Cl)cc2)ncn1 38488278 NJNCWHBIAMDLRI-UHFFFAOYSA-N 414.897 3.010 0 40 HGAB CCOC(=O)C1CCN(S(=O)(=O)c2cc(Br)c(C)cc2C)CC1 41095817 QEZAJIKCNWYBED-UHFFFAOYSA-N 404.326 3.030 0 40 HGAB CCSc1ncc(Cl)c(C(=O)NCCCC(=O)Nc2ccc(OC)cc2)n1 41156932 WWAFGATYMTUVBH-UHFFFAOYSA-N 408.911 3.399 0 40 HGAB CN(C[C@@H]1COc2ccccc2O1)C(=O)Nc1cc(Cl)ccc1N1CCOCC1 43398240 XLFNZIUNDHSTQB-MRXNPFEDSA-N 417.893 3.480 0 40 HGAB O=C(NCc1cccnc1-n1cncn1)Nc1cccc(COC[C@H]2CCCCO2)c1 48288445 RYDUFBIPXCCPNJ-HXUWFJFHSA-N 422.489 3.070 0 40 HGAB Cc1c(C(=O)N(C)C)sc2[nH]c(=O)c(C(=O)Nc3ccc(Cl)cc3)c(O)c12 49008045 ILRZKLQJXNVGFS-UHFFFAOYSA-N 405.863 3.211 0 40 HGAB C[C@H]1C[C@H](C)CN(C(C)(C)CNC(=O)CCC(=O)N2CCC(c3ccccc3)=N2)C1 53303616 OBAXFBAGZNPTAE-OALUTQOASA-N 412.578 3.276 0 40 HGAB Cc1ccc(-c2csc3ncnc(N4CCN(CC(=O)N5CCCC5)CC4)c23)cc1 57289839 HKHMICFDBLHVKK-UHFFFAOYSA-N 421.570 3.411 0 40 HGAB C[C@H]1CCCC[C@H]1OCCNC(=O)NCc1cn2cc(Br)ccc2n1 57343451 WWFZWNBNYAGYJA-XJKSGUPXSA-N 409.328 3.491 0 40 HGAB O=C(Nc1cccc(S(=O)(=O)C2CCCC2)c1)N1CCC[C@H](N2CCCC2)C1 58268691 RNIBFJNPVVQZCL-SFHVURJKSA-N 405.564 3.495 0 40 HGAB Cc1cc(NC(=O)[C@H](C)SCC(=O)N2CCC[C@@H]2CN(C)c2ccccc2)no1 58283355 PKXGCODGCWOWTB-FUHWJXTLSA-N 416.547 3.171 0 40 HGAB Cc1cccc(N2CCN(C[C@@H]3C(=O)O[C@@H]4CC5=CCC[C@H](C)[C@@]5(C)[C@H](O)[C@@H]43)CC2)c1 59415107 VPMFYHWUKMLBMB-TVMBOJQNSA-N 424.585 3.402 0 40 HGAB biogenic O=C(Cn1nc(-c2ccccc2F)ccc1=O)NCCc1c[nH]c2ccc(F)cc12 71286346 LHJZJRROFJZWRO-UHFFFAOYSA-N 408.408 3.029 0 40 HGAB CCCC(=O)N1CCO[C@@](Cc2ccc(-c3cccs3)cc2)(C(=O)N(C)C)C1 72389233 DFFHAEYJQZKTQC-JOCHJYFZSA-N 400.544 3.444 0 40 HGAB CCC(=CC(=O)N1CCN(Cc2nc3sc4c(c3c(=O)[nH]2)CCCC4)CC1)CC 84718226 GSLBJDSDBMJJNS-UHFFFAOYSA-N 414.575 3.254 0 40 HGAB Cc1cc(C)nc(-n2nc(C)c(CC(=O)N(C)[C@@H](CCO)c3ccccc3)c2C)n1 89600707 BQXSFTUFXYJOQM-NRFANRHFSA-N 407.518 3.021 0 40 HGAB Cc1cc(C(=O)Nc2cccc(C(=O)N3CCC[C@H](CO)C3)c2)nn1-c1ccccc1 95465520 PYXJARCGROUECL-SFHVURJKSA-N 418.497 3.278 0 40 HGAB COc1cccc([C@@H](CNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)OC)c1 96390358 GGFZSIXFWNDLHK-MRXNPFEDSA-N 405.394 3.260 0 40 HGAB COc1cc(NC(=O)CCCN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c(OC)cc1Cl 102527680 MSRRYBIYCVHKDJ-CHWSQXEVSA-N 406.866 3.027 0 40 HGAB Cc1ccc(NC(=O)CN(Cc2ccccc2)S(C)(=O)=O)c(Br)c1 223063432 MXUSQALTVBTMDL-UHFFFAOYSA-N 411.321 3.158 0 40 HGAB O=C(NCC1=CCCCC1)[C@@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 224384407 VMZWEYWGIXYWTG-OAQYLSRUSA-N 404.576 3.278 0 40 HGAB O=C(NC1CCN(c2ncnc3c2CCCC3)CC1)C1(c2ccccc2)CCOCC1 225735957 CHJKHWOBGJAETI-UHFFFAOYSA-N 420.557 3.189 0 40 HGAB Nn1c(SCC(=O)Nc2ccc(Br)cc2F)nnc1-c1ccccc1 255941929 YCVOVLJQMCOVHZ-UHFFFAOYSA-N 422.283 3.291 0 40 HGAB C[C@]1(O)CN(C(=O)COc2ccc(F)c(Cl)c2)CC[C@@H]1Oc1cccc(F)c1 257239711 HQLCNWAYHJTXNN-ICSRJNTNSA-N 411.832 3.428 0 40 HGAB CN(C)c1ncc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)[C@@H]3CCCO3)CC2)n1 257241410 HXYNTIKYOYMOCC-QRFRQXIXSA-N 409.534 3.174 0 40 HGAB COc1ccc(-c2cccc([C@H]3CN(Cc4cnc(N(C)C)nc4)CCO3)n2)cc1 257282496 OTYNKRITROUDIL-JOCHJYFZSA-N 405.502 3.187 0 40 HGAB O=C(c1ccncc1)N1CCO[C@H](c2cc(CCOc3cccc(Cl)c3)[nH]n2)C1 257284518 PCZMUCXJWSRZEK-FQEVSTJZSA-N 412.877 3.293 0 40 HGAB Cc1nonc1COc1ccccc1C(=O)N1[C@@H]2CN(C)[C@@H]3CCCC[C@H]1[C@]3(C)C2 257296192 RBQGQQUCMZEEQW-ZERUQHPESA-N 410.518 3.434 0 40 HGAB CCCCOC(=O)c1ccc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C)cc2)cc1 408582925 GBUKTDVCXHMZMY-MRXNPFEDSA-N 418.515 3.257 0 40 HGAB COc1ccc(OC)c(NC(=O)c2ccccc2N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 408673797 VLLFGTHUZDMEOS-BMHXQBNDSA-N 418.449 3.268 0 40 HGAB COc1cccc(NS(=O)(=O)c2cccc(N3C(=O)c4ccccc4C3=O)c2)c1 408721104 CVKWTEYOGZKGLM-UHFFFAOYSA-N 408.435 3.297 0 40 HGAB CCc1ccc(OCc2nnc(SCC(=O)Nc3nc(C)cs3)n2C)cc1 409345088 JUZSLKWTYHAUIJ-UHFFFAOYSA-N 403.533 3.452 0 40 HGAB O=S(=O)(NCC[C@@H](CCO)c1cccs1)c1ccc(Br)s1 575605500 ASCGQQNCAHEHDB-JTQLQIEISA-N 410.380 3.407 0 40 HGAB O=C(NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H](N2CCOCC2)CC1)c1cccs1 585263223 OZOBYEUGSYYSRW-TXTKFYIRSA-N 414.571 3.052 0 40 HGAB CC(C)C[C@H]1COc2ccccc2C(=O)N(C)CCCCN1C(=O)c1cnccn1 643564194 VNJBTRBRCLFSKW-SFHVURJKSA-N 410.518 3.278 0 40 HGAB CSc1nc(N2CCN(Cc3nc(C(C)C)no3)CC2)cc(C(F)(F)F)n1 1852028775 YQVVTTGKKZGMOX-UHFFFAOYSA-N 402.446 3.046 0 40 HGAB Cc1nc(C)c(-c2ccc(N3CCN(c4nccc(C(F)(F)F)n4)CC3)nn2)s1 1888899217 MTHFYOPEGPJHLJ-UHFFFAOYSA-N 421.452 3.352 0 40 HGAB CC(C)(C)c1cc(C(=O)N2CCC(Oc3ncc(-c4ccncc4)cn3)CC2)[nH]n1 1889211961 UADXTZVTMSIQJY-UHFFFAOYSA-N 406.490 3.243 0 40 HGAB COC(=O)c1c(NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)sc2c1CCCC2 665754 LLRFPRLFDXLXJK-UHFFFAOYSA-N 422.528 3.062 0 40 HGAB CCC(=O)Nc1ccc(NC(=O)CSc2nnc(-c3cccnc3)n2CC)cc1 1342439 UDOPMYPVSCNZKE-UHFFFAOYSA-N 410.503 3.439 0 40 HGAB COc1cccc(OC)c1NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 1379535 IOYYXTVGMCBEPM-OAHLLOKOSA-N 424.906 3.149 0 40 HGAB C[C@@H](Oc1ccc(I)cc1)C(=O)NCc1nc2ccccc2[nH]1 1429953 ITAGSLUISMPDPI-LLVKDONJSA-N 421.238 3.251 0 40 HGAB COC(=O)C1=CN(C)C=C(C(=O)OC)C1c1ccc(OC)c(OCc2ccccc2)c1 1457620 CZWFDQTVYUBNCC-UHFFFAOYSA-N 423.465 3.417 0 40 HGAB CCc1cc2c(=O)c(-c3ccc4c(c3)OCCCO4)c(C)oc2cc1OCC(N)=O 1464084 KQWPAIFVQNIEFX-UHFFFAOYSA-N 409.438 3.356 0 40 HGAB biogenic O=C(COC(=O)/C=C/c1cccc(C(F)(F)F)c1)Nc1ccc2[nH]c(=O)[nH]c2c1 2636686 DGEIFVCBVCTUNJ-QPJJXVBHSA-N 405.332 3.070 0 40 HGAB CCC[C@H](C)NC(=O)Cn1c(=O)c(=O)n(Cc2ccccc2)c2ccc(Cl)cc21 2641245 REAIALFDPKXINW-HNNXBMFYSA-N 413.905 3.170 0 40 HGAB COc1ccc(NC(=O)CSc2nc(N)c(C(=O)Nc3nccs3)s2)cc1 3013015 BVKOIXKXDJEHFH-UHFFFAOYSA-N 421.529 3.174 0 40 HGAB CC(=O)N1[C@H](c2ccccc2OC(=O)c2ccc(Cl)nc2)C[C@]2(C)CC(=O)N[C@@H]12 4108730 FAJVUSBZVPZYMF-ONGXBYRLSA-N 413.861 3.100 0 40 HGAB Cc1cccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)c1C 4690963 ZDMXQCVVYUUAJK-OAHLLOKOSA-N 400.862 3.492 0 40 HGAB COCCCNC(=O)c1c(N)n(CCc2ccccc2)c2nc3ccccc3nc12 5024719 RWFQMWWJVCFVMM-UHFFFAOYSA-N 403.486 3.176 0 40 HGAB CC(C)S(=O)(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)CCC2 5136831 MLLHQAIVVDGFFI-UHFFFAOYSA-N 412.508 3.117 0 40 HGAB O=S(=O)(c1ccc(OCc2ccc(Br)cc2)cc1)N1CCOCC1 5294816 WPRMIVGKOBMPGC-UHFFFAOYSA-N 412.305 3.049 0 40 HGAB COc1ccc(NC(=O)Cn2nc(-c3cccc(Br)c3)ccc2=O)cc1 5388367 ZBRAHCKNSCUBGR-UHFFFAOYSA-N 414.259 3.320 0 40 HGAB Cc1cccc(C(C)C)c1NC(=O)CN1C(=O)N[C@](C)(c2ccc3c(c2)OCO3)C1=O 5450192 JYOIHDXMDQSWCY-HSZRJFAPSA-N 423.469 3.253 0 40 HGAB O=C(NCCc1ccc(F)cc1)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 5465902 HWZPFFKJWDENCZ-UHFFFAOYSA-N 410.898 3.236 0 40 HGAB Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)[C@H](C)Sc3ccccc3)CC2)c1 5824002 HJAOXBXGKTURRA-SFHVURJKSA-N 418.584 3.317 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[C@@H](C)c3ccccc3)CC2)cc1C 6237342 KGYRGIQJNMWXLA-LJQANCHMSA-N 400.544 3.330 0 40 HGAB CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N[C@H]2CCSc3ccccc32)C1=O 6848753 FMHMTKRJXIQJNV-JTSKRJEESA-N 409.511 3.197 0 40 HGAB O=C(Cn1nc(COc2ccccc2)oc1=S)N1CCN(c2ccccc2)CC1 7095268 FRVNKIMCOKDRNP-UHFFFAOYSA-N 410.499 3.133 0 40 HGAB CS(=O)(=O)c1cccc(NC(=O)CN2CCC[C@@H]2c2nc3ccccc3s2)c1 7360031 IRWXZCCDKRUKPR-QGZVFWFLSA-N 415.540 3.475 0 40 HGAB O=C(CN1C(=O)c2ccccc2C1=O)Oc1ccc2nc(N3CCCC3)sc2c1 7512924 PANFMNZUMXIBNQ-UHFFFAOYSA-N 407.451 3.098 0 40 HGAB Cc1cccc(NC(=O)CN(C[C@H]2CCCO2)C(=O)c2ccc3c(c2)OCO3)c1C 8429642 MDZSTLLBJVOFKX-GOSISDBHSA-N 410.470 3.292 0 40 HGAB O=c1c2ccccc2nnn1CSc1nnc(N2CCCCC2)n1-c1ccccc1 8710479 QCULCQPBHIHGMS-UHFFFAOYSA-N 419.514 3.112 0 40 HGAB O=C(CN1C(=O)NC2(CCCC2)C1=O)N(CCc1cccs1)Cc1cccs1 8735980 ATSTXIARLIDFRK-UHFFFAOYSA-N 417.556 3.246 0 40 HGAB COc1ccc(CCNC(=O)c2ccc3c(c2)S(=O)(=O)c2ccccc2C3=O)cc1 9494980 PCKCKIWZALLZMG-UHFFFAOYSA-N 421.474 3.045 0 40 HGAB O=C(COC(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1)NC[C@H]1CCCO1 9597120 MVEPIBJLYUDXQF-OAHLLOKOSA-N 423.391 3.296 0 40 HGAB O=C(CSc1nncn1-c1ccccc1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 9635444 QAQRARJYQNUAIE-GOSISDBHSA-N 422.510 3.494 0 40 HGAB CCCNS(=O)(=O)c1cc(C(=O)N(C)Cc2ccccc2)ccc1N1CCCC1 10009909 GBNBTMAEHOWWMY-UHFFFAOYSA-N 415.559 3.247 0 40 HGAB CN(Cc1ccccc1)C(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 10042801 IGDKHJSFOFSIMP-UHFFFAOYSA-N 418.423 3.018 0 40 HGAB Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)c2ccc(C(C)(C)C)cc2)CC1 10095441 SDDYFFWFCHMUKB-UHFFFAOYSA-N 419.547 3.126 0 40 HGAB CC(=O)Nc1cccc(NC(=O)[C@@H](C)N(c2cc(C)ccc2C)S(C)(=O)=O)c1 10331993 MKJMQJLNEHAEQB-OAHLLOKOSA-N 403.504 3.055 0 40 HGAB CN(C)c1ccc(NC(=O)c2cc(-c3ccccc3)n([C@@H]3CCS(=O)(=O)C3)n2)cc1 11907102 XSGDMZMSLBNXFG-LJQANCHMSA-N 424.526 3.228 0 40 HGAB CC(C)c1nc2oc3c(=O)n(CC(=O)N4CCCC4)cnc3c2c2c1COC(C)(C)C2 12324313 HODUYCPIWJCMRA-UHFFFAOYSA-N 424.501 3.135 0 40 HGAB C[C@H]1CCC[C@H](C)C12NC(=O)N(CN1CCN(c3cccc(Cl)c3)CC1)C2=O 12538334 NDDPQEZSSRYSTK-HOTGVXAUSA-N 404.942 3.166 0 40 HGAB Cc1cc(C(=O)CSc2nnc(N3CCOCC3)n2-c2ccccc2C)c(C)[nH]1 12548903 GFAAKWKFYKIQDT-UHFFFAOYSA-N 411.531 3.332 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)COc2c(C)cc(C)cc2C)c1 12730492 JOLZMZYCNLRGDR-UHFFFAOYSA-N 420.531 3.365 0 40 HGAB COc1ccc(Br)cc1CN(C)C(=O)c1cnc2c(c1)c(C)nn2C 12761819 BVMYOLRKPNIZGU-UHFFFAOYSA-N 403.280 3.320 0 40 HGAB C[C@H]1CN(Cc2csc(NC(=O)c3ccc(C(F)(F)F)nc3)n2)C[C@@H](C)O1 12791539 IOXAEQVJTVYMJX-PHIMTYICSA-N 400.426 3.418 0 40 HGAB CC(C)[C@@H](C(=O)OCc1nc(-c2ccsc2)no1)N1C(=O)c2ccccc2C1=O 12848234 HLQMKISPBDBHPC-INIZCTEOSA-N 411.439 3.162 0 40 HGAB COc1ccc([C@H](CNC(=O)CNC(=O)c2ccccc2Cl)N2CCCC2)cc1 13009101 YCDJBSSALFSVAT-FQEVSTJZSA-N 415.921 3.032 0 40 HGAB COC(=O)c1ccc(OC(=O)c2ccc3c(c2)C(=O)N(Cc2ccccc2)C3=O)cc1 13141550 AMDZGVMQZUOBKT-UHFFFAOYSA-N 415.401 3.489 0 40 HGAB O=C(N[C@H](N1CCOCC1)C(Cl)(Cl)Cl)c1ccc(Br)cc1 13152575 GQEXNXBLUGZYMF-GFCCVEGCSA-N 416.530 3.207 0 40 HGAB CCN(CC)C(=O)[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1 13678770 GNOGJRAVPHLHFU-SFHVURJKSA-N 408.907 3.165 0 40 HGAB CC(=O)Nc1ccc(S(=O)(=O)NCc2ccccc2CN2CCCCC2)cc1 15360749 YKOLAWLFBQDVBT-UHFFFAOYSA-N 401.532 3.109 0 40 HGAB Cc1ccccc1NC(=O)C(=O)NC[C@@H](c1cccnc1)N1CCc2ccccc2C1 15882596 ZOXHHCDHODNSKB-QHCPKHFHSA-N 414.509 3.244 0 40 HGAB COc1ccc(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)N[C@@H](C)CCCC(C)C)[C@H]4C2=O)cc1 15894230 OLAUHODKTOCQBC-DOEFQSBXSA-N 412.530 3.313 0 40 HGAB COC(=O)c1cc(OC)c(OC)cc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1 16154490 XBDOPGUMHYYLAV-UHFFFAOYSA-N 419.377 3.310 0 40 HGAB CN(/C=C/c1nnnn1-c1ccc(I)cc1)c1ccccc1 16162971 SQPLGYULFLXKQW-VAWYXSNFSA-N 403.227 3.374 0 40 HGAB COc1ccc([C@@H](NC(=O)c2ccc(N3CCCC3=O)cc2)c2nccn2C)cc1 16473548 NUYBKCFGYRLXJZ-OAQYLSRUSA-N 404.470 3.075 0 40 HGAB C[C@@H]1COC[C@@H](C)N1c1ncc(-c2nnnn2-c2ccccc2)c(-c2cccs2)n1 16609701 QXTGVMLBAVMWRD-HUUCEWRRSA-N 419.514 3.461 0 40 HGAB O=C(CCc1ccccc1F)N1CCC(c2nc(-c3nccs3)cc(=O)[nH]2)CC1 19348620 TWVHOIPGDYKYOR-UHFFFAOYSA-N 412.490 3.371 0 40 HGAB CCn1nc(C)c([C@H](C)NS(=O)(=O)c2cc(Cl)c(OC)cc2OC)c1C 19523788 UEXAPIZQCUAWDV-NSHDSACASA-N 401.916 3.230 0 40 HGAB COc1ccc(S(=O)(=O)N2Cc3ccc(OC)cc3C[C@H]2C2CCOCC2)cc1 19557155 MUZZVPMROAIECE-QFIPXVFZSA-N 417.527 3.246 0 40 HGAB Cc1cccn2cc(C(=O)N3CCC(CC(=O)NCCc4ccccc4F)CC3)nc12 19748453 LATVNGMWHGPBTG-UHFFFAOYSA-N 422.504 3.383 0 40 HGAB CC(=O)N1CCC[C@@H]1c1nc2c(c(NCCOc3cccc(C)c3C)n1)CCN(C)C2 19752910 BIZCBLCICYBONS-OAQYLSRUSA-N 423.561 3.256 0 40 HGAB O=C(Nc1c(F)cccc1F)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1 19868517 VRLAEOXMQYMXEP-UHFFFAOYSA-N 412.433 3.284 0 40 HGAB CNS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(F)c(C(F)(F)F)c2)cc1 20024384 GVDJJUKZGADYLN-UHFFFAOYSA-N 404.385 3.324 0 40 HGAB CC[C@@H]1CCCCN1CCCNC(=O)c1cc(NS(C)(=O)=O)ccc1Cl 20039259 BDNQPDDFHGLAHJ-OAHLLOKOSA-N 401.960 3.096 0 40 HGAB O=C(NC[C@H](c1cccs1)N1CCOCC1)[C@H]1COc2ccc(Cl)cc2C1 22767276 PYFQRYSGFXKWHF-NVXWUHKLSA-N 406.935 3.142 0 40 HGAB Cc1sc2nc(-c3cccs3)nc(N(C)CC(=O)N3CCN(C)CC3)c2c1C 23956208 KPNPEMVARYZQJJ-UHFFFAOYSA-N 415.588 3.247 0 40 HGAB O=C(NCCSC1CCCCC1)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 24606763 NCYLDIOHEQWBDA-OAHLLOKOSA-N 416.634 3.331 0 40 HGAB CC(C)[C@H](C)NC(=O)CN1CCCN(c2ncc(C(F)(F)F)cc2Cl)CC1 25355244 XYVWAZFYGFGGOF-ZDUSSCGKSA-N 406.880 3.427 0 40 HGAB Cc1ccc(C(C)C)c(OCc2nnc(SCC(=O)NCCC(C)C)n2N)c1 26108892 YOJGQSQUYHPUEJ-UHFFFAOYSA-N 405.568 3.257 0 40 HGAB CC(=O)Nc1ccc(/C=C/C(=O)N2CCC(C(=O)NCc3ccccc3)CC2)cc1 30911272 ACHGYKZNUKOMRB-FMIVXFBMSA-N 405.498 3.213 0 40 HGAB Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)OCc2csc(-c3ccco3)n2)cc1 32901115 JKZMHMQZRZMROD-ZDUSSCGKSA-N 406.485 3.122 0 40 HGAB C[C@@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCN(C(=O)c5ccco5)CC4)[C@@H]3C=C12 36507694 MQSZZIBOTGMDJA-WUMBMPIFSA-N 412.530 3.352 0 40 HGAB CCc1ccc(N2CN(CCO)Cn3c2nc(C)c(Cc2ccccc2)c3=O)cc1 38829908 OZBPWGSCESUDQO-UHFFFAOYSA-N 404.514 3.066 0 40 HGAB C[C@@]12CCC(=O)N1c1ccccc1C(=O)N2CCCC(=O)Nc1nc2c(s1)CCC2 40073854 LMLQDHPXJCDDDZ-QFIPXVFZSA-N 424.526 3.350 0 40 HGAB COc1ccc(CNC(=S)NCc2ccc(CN3C[C@@H](C)O[C@H](C)C3)cc2)cc1 40087582 DHMQELWHEVZHFK-QZTJIDSGSA-N 413.587 3.469 0 40 HGAB COc1ccc(CCn2ccc3nc4ncnn4c(-c4ccc(F)cc4)c3c2=O)cc1 40398313 BJQMPNJDHSNTNK-UHFFFAOYSA-N 415.428 3.497 0 40 HGAB COC(=O)C[C@H](NC(=O)C(=O)Nc1ccccc1C)c1ccc(Br)cc1 41171287 PBTGFISCJKWSNN-INIZCTEOSA-N 419.275 3.117 0 40 HGAB CCOc1ccccc1NC(=O)c1nnn(CC(=O)Nc2cccc(C(C)=O)c2)c1C 67323004 NZKOSFVQZZBAOI-UHFFFAOYSA-N 421.457 3.079 0 40 HGAB Cc1cccc(N2CCN(C(=O)c3sccc3NC(=O)c3cnccn3)CC2)c1 67335797 YWFVAGWPWAVVHY-UHFFFAOYSA-N 407.499 3.061 0 40 HGAB Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](c2cccc(Nc3ccccn3)n2)C1 72376087 RFOCTEBIPXCMIN-INIZCTEOSA-N 413.503 3.393 0 40 HGAB CCOc1ccc(S(=O)(=O)Nc2ccc(Oc3cc(C)[nH]n3)cc2)cc1C(=O)O 79103115 YGIGRZUOLXJDMQ-UHFFFAOYSA-N 417.443 3.408 0 40 HGAB O=C(NCc1nn(C2CCCC2)c(=O)c2ccccc12)c1cnn(-c2ccccc2)n1 90504255 XBNMWCKKVITZNC-UHFFFAOYSA-N 414.469 3.022 0 40 HGAB COc1cc([C@@H]2SCC(=O)Nc3c2c(O)nn3[C@@H]2CCOC(C)(C)C2)ccc1O 96232772 UESWMFBPWASBHR-PXAZEXFGSA-N 419.503 3.208 0 40 HGAB CC(=O)C1=NN(c2ccc(Cl)cc2)[C@@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@H]12 100077704 KAXLLGBUNXXNSL-WBVHZDCISA-N 402.237 3.317 0 40 HGAB COc1ccc(NC(=O)c2cccc(N3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)c2)c(OC)c1 100812309 NUDBSGNUJYOHDN-MFRYECHYSA-N 418.449 3.268 0 40 HGAB Cc1cc(C)n2c(S[C@H]3CC(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)nnc2n1 102242857 APBQRQLUMZDZPW-ZDUSSCGKSA-N 422.297 3.472 0 40 HGAB COCCn1c(C)cc(C(=O)COC(=O)CC23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)c1C 104176169 PBTFUZXWVIEEEX-YUOVDFJASA-N 403.519 3.199 0 40 HGAB CS(=O)(=O)N(CCCC(=O)Nc1ccc(F)cc1F)c1ccc(F)c(F)c1 113965574 ZPLODLFHEITTQO-UHFFFAOYSA-N 404.385 3.428 0 40 HGAB CC[C@@H](C(=O)NCCCN(C)c1ccccc1)N(c1ccccc1F)S(C)(=O)=O 220608468 FHIZTGNSMLZDSX-IBGZPJMESA-N 421.538 3.013 0 40 HGAB CNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)COc1ccc(Br)cc1 222475297 SIBOBAMXFVSXGV-OAHLLOKOSA-N 419.319 3.300 0 40 HGAB CCN(c1ccc(C(=O)NCCOc2ccccc2C(C)C)cc1)S(C)(=O)=O 223779578 PUNLJABDXZDDAJ-UHFFFAOYSA-N 404.532 3.405 0 40 HGAB Cc1ccc(OCCNC(=O)[C@H](C)N(c2ccc(C)c(C)c2)S(C)(=O)=O)c(C)c1 223892115 PRJDKGULZQWERP-IBGZPJMESA-N 418.559 3.270 0 40 HGAB CCc1ccc(OCCNC(=O)[C@@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)cc1 224009764 CSAKTTMREBKJAE-OAHLLOKOSA-N 424.950 3.252 0 40 HGAB O=C(C1CC1)N1CCc2cc(S(=O)(=O)Nc3ccc(N4CCCC4)cc3)ccc21 224938200 AMHKQVFAZGHSJJ-UHFFFAOYSA-N 411.527 3.387 0 40 HGAB COc1ccc(Cl)cc1Cn1c(C)cc(O)c(I)c1=O 225733078 OIERZBUURCSTJM-UHFFFAOYSA-N 405.619 3.177 0 40 HGAB O=C(NCCn1nc(-c2cnccn2)cc1C1CC1)c1ccc(C(F)(F)F)nc1 238887012 QDWFWBFJGUYKBT-UHFFFAOYSA-N 402.380 3.061 0 40 HGAB Cc1nc(-c2ccc(S(=O)(=O)NC[C@@H](O)c3ccc4c(ccn4C)c3)cc2)co1 252492449 MMQSLSVGPYABDI-OAQYLSRUSA-N 411.483 3.154 0 40 HGAB O=C(NCC(=O)N1CCC(Oc2ccncc2Cl)CC1)OCc1ccccc1 390826345 IODNBDDWEWRVFN-UHFFFAOYSA-N 403.866 3.031 0 40 HGAB COc1ccc(F)cc1S(=O)(=O)N1CCC[C@H](C(=O)NC2CCCCCC2)C1 408713597 JBJALCUEZDFAJA-HNNXBMFYSA-N 412.527 3.074 0 40 HGAB Cc1ccc(NC(=O)CSc2nnc([C@@H](C)NC(=O)c3ccccc3)n2C)cc1 409126895 CILMBTWNEFNEIS-OAHLLOKOSA-N 409.515 3.345 0 40 HGAB O=S(=O)(c1ccc2nc(O)nc(O)c2c1)N1CCCC[C@@H]1c1cc2ccccc2[nH]1 520835567 PMGDJVAZDVOQGE-LJQANCHMSA-N 424.482 3.438 0 40 HGAB Cc1noc(C)c1C(=O)N1CCC[C@@]2(CN(C)Cc3c(-c4ccccc4)ncn32)C1 585107431 VQVHEJUKBVVNJR-HSZRJFAPSA-N 405.502 3.232 0 40 HGAB C[C@@H](C(=O)Nc1c(-c2cccs2)nc2ccccn12)n1nc2c(cc1=O)CCC2 585150128 BIPXQHIVUQHINH-ZDUSSCGKSA-N 405.483 3.308 0 40 HGAB CCN1CCCCCN(C(=O)COC)[C@@H]2CCCC[C@@H]2Oc2ccccc2C1=O 643582660 FOUZFOZKADLQOH-CTNGQTDRSA-N 402.535 3.498 0 40 HGAB CC(=O)N1CCC[C@@]1(Cc1ccccc1-c1ccccc1)C(=O)NCc1noc(C)n1 2037834437 DQYQQUQWHGIHCY-XMMPIXPASA-N 418.497 3.285 0 40 HGAB CC(C)Cc1cc(C(=O)N2CCC[C@](O)(COc3ccc(F)cc3)CC2)n(C)n1 2037909233 GGGYXIPGEWSQEP-JOCHJYFZSA-N 403.498 3.194 0 40 HGAB Cc1nccc(C(=O)N2CCC[C@@](O)(COc3cc(C)c(Cl)c(C)c3)CC2)n1 2037912748 YDMAOXQYGUIKBK-NRFANRHFSA-N 403.910 3.491 0 40 HGAB COc1ccc(CN2CC[C@H]3NC(=O)COc4ccccc4CCCC[C@H]3C2)cn1 2037988947 ORJYDMDCKSLXOD-LEWJYISDSA-N 409.530 3.202 0 40 HGAB Cn1c(C(=O)N2CCc3nn4ccc(N5CCCC5)nc4c3C2)cc2ccccc21 2055713747 GODYJVKYJBQNQN-UHFFFAOYSA-N 400.486 3.020 0 40 HGAB O=C(Nc1ccc2c(c1)OCO2)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 791939 KSWDYMWYMUABPE-CYBMUJFWSA-N 422.890 3.108 0 40 HGAB COc1ccc(-c2nnc(SCC(=O)Nc3ccc(F)cc3)n2C)cc1OC 890123 CKYMQFSFNZTELP-UHFFFAOYSA-N 402.451 3.369 0 40 HGAB Cc1ccc(S(=O)(=O)N(CC(=O)N2CCOCC2)c2cccc(Cl)c2C)cc1 979024 SZGRAJNMQWWHRN-UHFFFAOYSA-N 422.934 3.011 0 40 HGAB CCc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)cc1 1289564 PVYWRNOPWWBWGX-OAHLLOKOSA-N 400.862 3.437 0 40 HGAB O=c1/c(=C\c2ccccc2F)sc2nc(-c3ccccc3Br)nn12 2195324 MXRNZCWYIMZMTI-NTEUORMPSA-N 402.248 3.267 0 40 HGAB COc1cccc(C(=O)Nc2c3c(nn2-c2ccccc2C)C[S@](=O)C3)c1OC 2725072 HTAMTBMVFVZHJY-LJAQVGFWSA-N 411.483 3.213 0 40 HGAB CCSc1nnc(NC(=O)[C@@]2(C)CC2(Br)Br)s1 2770699 JRBPFDGWHWGXNJ-MRVPVSSYSA-N 401.149 3.485 0 40 HGAB CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)C(C)(C)C)o2)c1 3427723 JMIPFZTZNWLXIZ-UHFFFAOYSA-N 411.549 3.474 0 40 HGAB COc1ccc(NC(=S)N(CCCO)Cc2cc3ccc(C)cc3[nH]c2=O)cc1 4127022 SKUDAAVDEXYBER-UHFFFAOYSA-N 411.527 3.427 0 40 HGAB O=C(C[C@H]1Nc2ccccc2NC1=O)Nc1ccccc1I 4608114 GFBLLRDYKZDIGD-CQSZACIVSA-N 407.211 3.053 0 40 HGAB C[C@@H]1CCC[C@@H](NC(=O)CCNS(=O)(=O)c2ccc(Br)cc2)[C@@H]1C 4661098 XHTOWJGWJPZOIX-XJKCOSOUSA-N 417.369 3.058 0 40 HGAB COc1cc(-c2nnc(SCC(=O)N(C(C)C)C(C)C)o2)cc(OC)c1OC 5613943 KHKDVIVOBSVSGA-UHFFFAOYSA-N 409.508 3.500 0 40 HGAB COc1ccc(S(=O)(=O)N(C)C)cc1NCC(=O)Nc1cccc2ccccc12 5688153 JGBNBZFSIWCXGM-UHFFFAOYSA-N 413.499 3.149 0 40 HGAB COc1ccc(C(=O)CSc2nnc(CNC(=O)c3ccccc3C)n2C)cc1 6234563 QHPNFXDQROXKMI-UHFFFAOYSA-N 410.499 3.037 0 40 HGAB O=C(CSc1nc2cc(Cl)ccc2c(=O)n1C1CCCCC1)N1CCNC1=O 6532351 DOUBKOOQUHSTOU-UHFFFAOYSA-N 420.922 3.199 0 40 HGAB CCc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(F)c(F)c3)CC2=O)cc1 6653031 VMKVKKILEZJJQJ-AWEZNQCLSA-N 402.397 3.062 0 40 HGAB Cc1cccc(N(C)S(=O)(=O)c2csc(C(=O)NCc3cccnc3)c2)c1 6681244 CEDPQFYEFZCMGS-UHFFFAOYSA-N 401.513 3.207 0 40 HGAB COc1ccc(C)cc1NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccncc1)C2=O 6785424 DGXXKWDMRQEGGW-UHFFFAOYSA-N 401.422 3.447 0 40 HGAB CCN(Cc1ccc2c(c1)OCCO2)C(=O)Cc1cc(OC)c(OC)c(OC)c1 7645229 SPLYCLUJXZGWMS-UHFFFAOYSA-N 401.459 3.075 0 40 HGAB Cc1ccc(NC(=O)COC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)c(C)c1 7758861 WFAPESLTSUDSMB-UHFFFAOYSA-N 409.891 3.303 0 40 HGAB COc1ccc(CN(C)C(=O)[C@@H](C)N(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1 7871836 AWYNOPKUSWLRGH-QGZVFWFLSA-N 404.532 3.125 0 40 HGAB Cc1nc2ccc(C(=O)OCC(=O)c3cc4c5c(c3)CC(=O)N5CCC4)cc2nc1C 7976010 UKDQJELVOWBWFZ-UHFFFAOYSA-N 415.449 3.122 0 40 HGAB CC(C)[C@H](NC(=O)Cn1cnc2ccccc2c1=O)c1ccc2c(c1)OCCCO2 8152595 SFFUXXYPKRJHEX-QFIPXVFZSA-N 407.470 3.071 0 40 HGAB CCOc1cc(CNCc2ccc3c(c2)OCO3)ccc1OCC(=O)NC(C)(C)C 8254435 JZMSRWCKENKWCT-UHFFFAOYSA-N 414.502 3.397 0 40 HGAB COc1ccc([C@]2(C)NC(=O)N(Cc3cc(Cl)c4c(c3)OCCO4)C2=O)cc1 8315506 SPHBISWSLSQJQT-FQEVSTJZSA-N 402.834 3.087 0 40 HGAB CN(CC(=O)Nc1ccccc1Cl)C(=O)CSc1nc(-c2cccs2)n[nH]1 8920218 ZZKLABFCJUEROA-UHFFFAOYSA-N 421.935 3.376 0 40 HGAB Cn1c(=O)oc2ccc(S(=O)(=O)N3CCCc4cc(Br)ccc43)cc21 9186409 CBNFSJOUYMIHPY-UHFFFAOYSA-N 423.288 3.036 0 40 HGAB Cc1ccccc1N1C[C@H](c2nnc(NC(=O)c3ccc4c(c3)OCO4)s2)CC1=O 9198207 PVLPZAQBYBGFPA-CQSZACIVSA-N 422.466 3.348 0 40 HGAB O=C(CCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)Nc1nc2c(s1)CCCC2 9416767 ZJWLOFBTQQXKAO-UHFFFAOYSA-N 420.498 3.015 0 40 HGAB Cc1cc(C(=O)OCC(=O)N2CCC(c3ccccc3)=N2)c2cnn(C(C)C)c2n1 10207761 WUDRBLSEHYHXFH-UHFFFAOYSA-N 405.458 3.114 0 40 HGAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(NS(C)(=O)=O)c(C)c1 10335843 SVBWBGLDYLGGDS-AWEZNQCLSA-N 403.504 3.147 0 40 HGAB O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccccc1OC(F)F 11707455 OQIJFNZIMAHVCU-UHFFFAOYSA-N 424.469 3.393 0 40 HGAB Cc1nc(-c2ccccc2)sc1C(=O)NCCn1nc(-c2cccnc2)ccc1=O 11743760 KCCNQXYBLSOKGV-UHFFFAOYSA-N 417.494 3.167 0 40 HGAB Cc1nc(-n2nc(-c3ccco3)cc2NC(=O)/C=C\c2ccccc2)[nH]c(=O)c1C 12008266 JUVFUAHLSSHRDY-KHPPLWFESA-N 401.426 3.484 0 40 HGAB Cc1nc(COc2ccc(C(=O)O[C@@H](C)C(=O)N3CCc4ccccc4C3)cc2)no1 12072885 PQPURBWQBHUABQ-HNNXBMFYSA-N 421.453 3.087 0 40 HGAB Cc1cc(-c2snnc2[C@@H]2CCCN(C(=O)c3[nH]nc4c3C[C@H](C)CC4)C2)on1 12221512 NUAZWBLGGDRRKS-DGCLKSJQSA-N 412.519 3.369 0 40 HGAB Cc1cc(-c2snnc2[C@@H]2CCCN(C(=O)Cc3ccc4c(c3)OCO4)C2)on1 12251839 JXWRURCIXXDGKN-CQSZACIVSA-N 412.471 3.179 0 40 HGAB COc1cc(S(=O)(=O)Nc2cccc(F)c2C)c(OC)c2c(C)cc(=O)[nH]c12 12444894 DQFLSUVJSPEYEJ-UHFFFAOYSA-N 406.435 3.102 0 40 HGAB O=C1N[C@H](c2ccc3ncccc3c2)[C@H](C(=O)c2cccs2)[C@@](O)(C(F)(F)F)N1 12524462 HKFUBPZSIICYSI-IIDMSEBBSA-N 421.400 3.400 0 40 HGAB O=C(CCNS(=O)(=O)c1ccccc1F)Nc1ccc(N2CCCCC2)cc1 12549421 RMNTVZRHRZNUFO-UHFFFAOYSA-N 405.495 3.123 0 40 HGAB CCN(CC)S(=O)(=O)c1cccc(C2=N/C(=C\c3cccc(OC)c3)C(=O)O2)c1 12734672 CCOALOSRDRPEFB-UYRXBGFRSA-N 414.483 3.070 0 40 HGAB NC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1 12765225 UJXLHXSGEYLSFP-LZGZYFLISA-N 415.965 3.227 0 40 HGAB Cc1cc(-c2snnc2[C@@H]2CCCN(C(=O)CCc3cc(Cl)no3)C2)on1 13225985 UJJBFSUMEUQLFD-LLVKDONJSA-N 407.883 3.482 0 40 HGAB CC1=C(C(=O)N2CCOCC2)[C@@H](c2ccc(F)cc2F)NC(=O)N1c1ccccc1 14140371 QDWKRGGRCRXRNU-HXUWFJFHSA-N 413.424 3.369 0 40 HGAB COc1ccc(NC(=O)NCCC(=O)OCc2cc(Cl)c3c(c2)OCO3)cc1 14172822 IUUOOKIIZGJPIS-UHFFFAOYSA-N 406.822 3.332 0 40 HGAB COC(=O)c1cccc(NC(=O)CCCN(c2cc(C)ccc2C)S(C)(=O)=O)c1 14401273 RYQGFACLGUZOOQ-UHFFFAOYSA-N 418.515 3.275 0 40 HGAB COc1ccc(S(=O)(=O)N(C)CCOc2ccccc2Cl)cc1NC(C)=O 15364822 MRJPCNNUUVIMHP-UHFFFAOYSA-N 412.895 3.007 0 40 HGAB C[C@H]1CN(C(=O)COC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)C[C@@H](C)O1 15911756 CNGVGDQXYHFENR-GASCZTMLSA-N 415.873 3.364 0 40 HGAB COc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@H]3c4ccccc4C=CN3[C@H](C(C)=O)[C@@H]2C1=O 15999074 ULBVRRNILONBHC-PLACYPQZSA-N 422.868 3.453 0 40 HGAB COc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)Nc1ccc(F)c(Cl)c1 16188173 IHTWCSGWUZFULJ-UHFFFAOYSA-N 421.277 3.400 0 40 HGAB Cc1cc(C)c(C(=O)[C@@H](C)OC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)cc1C 16212903 KPNCOCVESQGZDV-CYBMUJFWSA-N 409.891 3.341 0 40 HGAB COc1cccc(/C=c2/sc3nc(-c4ccccc4Br)nn3c2=O)c1 16960239 SUWIYLPDMGUIOM-XNTDXEJSSA-N 414.284 3.137 0 40 HGAB CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc4ccccc4c3)CC2)cc1 17961697 MEEIOPNNYQQQGQ-UHFFFAOYSA-N 422.506 3.189 0 40 HGAB Cc1[nH]n(-c2nc3ccccc3s2)c(=O)c1[C@@H]1CC(=O)N(c2ccc(F)cc2)C1=O 18086741 ZASFLYPBFPIUCE-AWEZNQCLSA-N 422.441 3.270 0 40 HGAB COc1cc(NC(=O)CCCN2C(=O)[C@H]3CC=CC[C@H]3C2=O)c(OC)cc1Cl 18149095 MSRRYBIYCVHKDJ-BETUJISGSA-N 406.866 3.027 0 40 HGAB Cc1ccc([C@@H]2CCCN2C(=O)CC[C@@]2(c3ccccc3)NC(=O)NC2=O)cc1C 19213721 ZZQDSOAPDNHNKI-RDPSFJRHSA-N 405.498 3.482 0 40 HGAB O=C(CN1CCCCC1)N1CCO[C@@H](c2nc(-c3cccc(C(F)(F)F)c3)no2)C1 19293335 JYBASJHBUHWNAU-MRXNPFEDSA-N 424.423 3.141 0 40 HGAB CCc1cc(C(=O)Nc2ccc(C)c(S(=O)(=O)NC(C)C)c2)c2c(C)noc2n1 19714490 XVDMIGPAXHKWLZ-UHFFFAOYSA-N 416.503 3.341 0 40 HGAB Cc1nc([C@H]2CCCN2c2ncccn2)nc2c1CCC(=O)N2CCc1ccccc1 19740790 CIGDTJPKQOZJDH-HXUWFJFHSA-N 414.513 3.438 0 40 HGAB Cc1ccc(C)c([C@H]2CCCN2C(=O)c2ccc(=O)n(CC(=O)N3CCCCC3)c2)c1 19749271 JYKRSGTZYHLZPP-JOCHJYFZSA-N 421.541 3.455 0 40 HGAB Cc1cc(C)c2c(=O)n(CC(=O)Nc3ccccc3C)c(=O)n(-c3ccccc3)c2n1 20418826 RZJMAUUYWDXBBX-UHFFFAOYSA-N 414.465 3.111 0 40 HGAB CCOc1cccc(CNC(=O)c2ccc(CS(=O)(=O)N3CCCCC3)cc2)c1 20488692 LEKILIWYKVPUSC-UHFFFAOYSA-N 416.543 3.331 0 40 HGAB COc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)C(F)(F)F)CC3)cc2)cc1 20529114 OWAGMCIBHMLOQL-UHFFFAOYSA-N 407.392 3.158 0 40 HGAB NC(=O)c1ccc(NC(=O)[C@H]2CCCN(C(=O)c3cccc4ccccc34)C2)cc1 21222391 FVAIYEOCOJTKGQ-SFHVURJKSA-N 401.466 3.430 0 40 HGAB Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1cccs1)N(CCN1CCOCC1)C3=O 22610882 NQIKBEFWWJTRFR-IBGZPJMESA-N 410.495 3.040 0 40 HGAB O=C(NCc1ccco1)Nc1ccc(NC(=O)c2ccc(-n3ccnc3)nc2)cc1 24858985 HRPMYSOGPYYKJO-UHFFFAOYSA-N 402.414 3.434 0 40 HGAB CSc1ncc(C(=O)O[C@@H](C)C(=O)Nc2c(C)nn(C)c2C)n1-c1ccccc1 32747351 NSVXXHVMOBTELA-AWEZNQCLSA-N 413.503 3.129 0 40 HGAB CN(CCOc1ccccc1)C(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1 32795416 GVEOKHDWXLKZCU-OAHLLOKOSA-N 417.303 3.339 0 40 HGAB COc1cccc([C@H](NC(=O)N[C@@H](C)c2ccc3c(c2)OCO3)c2nccn2C)c1 32802454 MPVWYRUQWSFXAW-XOBRGWDASA-N 408.458 3.307 0 40 HGAB Cc1[nH]c2ccccc2c1C(=O)CN1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 35529725 RUBUQCZNLGMPJJ-LFIBNONCSA-N 423.538 3.277 0 40 HGAB Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)c2c[nH]nc2-c2ccccc2)CC1 36386071 YFCHNKMYYDBDIN-UHFFFAOYSA-N 417.513 3.090 0 40 HGAB Cc1ccc2ncc(C(=O)NCc3ccccc3CN3CCC[C@H](C)C3)c(=O)n2c1 36390703 UTQIJWVVCRVWJV-KRWDZBQOSA-N 404.514 3.165 0 40 HGAB Cc1ccccc1NC(=O)CN1C(=O)N[C@](C)(c2ccccc2C(F)(F)F)C1=O 40116683 HUXSLRXJWNVVAV-LJQANCHMSA-N 405.376 3.420 0 40 HGAB O=C(CSc1nc(-c2cccs2)nc2ccccc12)N[C@@H]1CCCCNC1=O 40122931 BIZHQJQDTUAEOF-OAHLLOKOSA-N 412.540 3.235 0 40 HGAB CC(=O)N[C@H](CC(=O)NCCOc1cccc(Br)c1)c1cccs1 40157281 NUEINWUANGGOAJ-OAHLLOKOSA-N 411.321 3.273 0 40 HGAB CC(C)Oc1cccc(CNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c1 46656177 PBBILLGVLIARIP-UHFFFAOYSA-N 402.516 3.188 0 40 HGAB COc1ncccc1NC(=O)c1nn(-c2cccc(C(F)(F)F)c2)c(C)cc1=O 47553875 RDBWSJMVRFSQSD-UHFFFAOYSA-N 404.348 3.216 0 40 HGAB O=C(NCc1cccnc1OCc1ccccc1)[C@@H]1CCCN(C(=O)N2CCCC2)C1 48263844 JSWYLCSTWFXMBN-OAQYLSRUSA-N 422.529 3.205 0 40 HGAB Cc1cccc(NC(=O)CSc2ncnc3nc(N4CCOCC4)sc23)c1C 57507089 PMEKAIXOSNJUHH-UHFFFAOYSA-N 415.544 3.271 0 40 HGAB CN(Cc1cc(Br)cs1)C(=O)Cn1cc(C(F)(F)F)ccc1=O 57594034 KXOHXBPBKVZYFE-UHFFFAOYSA-N 409.227 3.350 0 40 HGAB NC(=O)[C@@H]1CCCN(Cc2ccc(NC(=O)c3csc(Br)c3)cc2)C1 58306543 NRAIGUCVOCLSJB-CYBMUJFWSA-N 422.348 3.460 0 40 HGAB NC(=O)[C@H](NC(=O)CSc1nc2ccccc2o1)c1ccc(Br)cc1 65474434 KVTDWAXXWPKCST-OAHLLOKOSA-N 420.288 3.025 0 40 HGAB O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NC1(c2cccc(Br)c2)CCC1 69946370 QRSSPPKTXYCECL-HZPDHXFCSA-N 419.319 3.120 0 40 HGAB COc1ncc([C@]2(O)CC[C@H]3CN(Cc4c(F)cccc4Cl)C[C@H]32)c(OC)n1 72392588 DZININXUJQMLCA-PGICJIBASA-N 407.873 3.016 0 40 HGAB Cc1csc([C@](O)(CC(=O)N[C@@H](C)c2nc(C(C)(C)C)no2)C(F)(F)F)n1 78935539 IIZVPNURTAQDSG-BJOHPYRUSA-N 406.430 3.149 0 40 HGAB O=C(Cc1c[nH]c2ccccc12)Nc1cnc(N2CCN(c3ccccc3)CC2)nc1 90584105 LPLIKVKAAYEIGC-UHFFFAOYSA-N 412.497 3.466 0 40 HGAB COc1ccc(CCc2n[nH]c(NC(=O)c3ccc4c(c3)OCCCO4)n2)cc1OC 95476192 CXDUWJHAFLSTOP-UHFFFAOYSA-N 424.457 3.021 0 40 HGAB CC(=O)Nc1cccc(C(=O)N2CCCCC[C@H]2c2noc(-c3cnn(C)c3)n2)c1 96001854 XOTWWOXANSSFBZ-SFHVURJKSA-N 408.462 3.186 0 40 HGAB O=C(CCn1cnc2ccccc2c1=O)Nc1cc(-n2ccc3ccccc32)ncn1 96025271 AUNPEYSHTGPPGA-UHFFFAOYSA-N 410.437 3.159 0 40 HGAB Cc1cccc(NC(=O)CN2N=N[C@@H]3C(=O)N(c4ccc(C(C)C)cc4)C(=O)[C@@H]32)c1C 96286235 JUSHDLQADJKNTH-LEWJYISDSA-N 419.485 3.359 0 40 HGAB CCS(=O)(=O)[C@](Cl)(Br)[C@@H](O)c1ccc(Br)cc1 96519824 GFXQIBCSXKGWKL-UWVGGRQHSA-N 406.523 3.205 0 40 HGAB CC[C@](Br)([C@H](O)c1ccc(Br)cc1)S(=O)(=O)CC 96521610 YUUZMRMXLITBQE-VXGBXAGGSA-N 400.132 3.418 0 40 HGAB CC(C)(C)OC(=O)CNC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl 97572744 PRSJCGRFYGEHMH-AWEZNQCLSA-N 401.290 3.056 0 40 HGAB Cc1nn(Cc2noc(C(=O)N[C@H](C)[C@H]3C[C@@H]4CC[C@@H]3C4)n2)c(C)c1Br 101581608 VSNPFOQHCFICOJ-ICGCDAGXSA-N 422.327 3.248 0 40 HGAB O=C(OCc1cc(=O)n2c(n1)sc1ccccc12)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 101825884 VQTRMCTZOKDTNO-CFYSCFQDSA-N 410.495 3.284 0 40 HGAB COc1cccc(C(=O)COC(=O)c2ccc(N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)cc2)c1 102080932 UESKWPRWPATWHQ-PMACEKPBSA-N 419.433 3.191 0 40 HGAB C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O 102085719 VWTCBLWPVIYTNJ-XEOBMEEBSA-N 405.281 3.374 0 40 HGAB CCOC(=O)CN1C(=O)S/C(=C/c2c(OC)ccc3ccc(OC)cc23)C1=O 205674132 VJSILOSKKKCCDQ-LICLKQGHSA-N 401.440 3.456 0 40 HGAB COC(=O)[C@H]1C[C@H](Oc2ccccc2F)CN1C(=O)Nc1ccc(OC)cc1OC 206804196 HSWAHDLEIZKCIS-WMLDXEAASA-N 418.421 3.070 0 40 HGAB CCOC(=O)c1cccc(NC(=O)[C@@H](CC)N(c2ccc(C)cc2)S(C)(=O)=O)c1 219099185 UMYQRGGAWQXOQO-LJQANCHMSA-N 418.515 3.355 0 40 HGAB Cc1ccc(CS(=O)(=O)N2CCC(C(=O)NCCSC3CCCC3)CC2)cc1 222540897 ABNMBQTTXCNKAE-UHFFFAOYSA-N 424.632 3.329 0 40 HGAB CC[C@H](NC(=O)CN(C)S(=O)(=O)c1ccc(OC)cc1)c1ccc(C)cc1C 223058663 RBUNVUIFMJIFOC-FQEVSTJZSA-N 404.532 3.200 0 40 HGAB S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2-c2ccncc2)N1C[C@@H]1CCCO1 223299306 VAWSLDHIIGMQII-DZFGPLHGSA-N 405.527 3.419 0 40 HGAB Cc1nccn1-c1ccccc1CNC(=O)c1cccc(N2CCCCS2(=O)=O)c1 224388895 VOZJXIWUIBHIQU-UHFFFAOYSA-N 424.526 3.041 0 40 HGAB Cc1ccccc1OC[C@H](C)NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1 224916744 XZHPTMJDRYALAM-INIZCTEOSA-N 414.527 3.040 0 40 HGAB Cc1cccc(N(CC(=O)Nc2ccc(N3CCCCC3)cc2)S(C)(=O)=O)c1 224945705 CLHKGCRAOISADZ-UHFFFAOYSA-N 401.532 3.390 0 40 HGAB COCCOc1cc(CN2CCC[C@](O)(COc3ccccc3)C2)ccc1OC 257205422 AYYWJDKWVKQBKO-HSZRJFAPSA-N 401.503 3.126 0 40 HGAB O=C(O)CN(Cc1ccccc1)C(=O)[C@H]1CC[C@H](O)[C@@H](Nc2ccc(F)cc2)CC1 257333512 YBWBYRGEEOPCKP-QMMLZNLJSA-N 414.477 3.271 0 40 HGAB COc1ncccc1CN1C[C@H](c2cn(C(C)C)cn2)[C@]2(CCN(CC3CC3)C2=O)C1 306136338 PQIVDAGKHXRGNV-YKSBVNFPSA-N 423.561 3.096 0 40 HGAB CN1c2ccc(NC(=O)c3nc(-c4cccs4)cs3)cc2N(C)S1(=O)=O 390826611 NVOCCHSGZWQEHD-UHFFFAOYSA-N 406.514 3.255 0 40 HGAB CCc1ccc(CNC(=O)c2ccccc2NC(=O)C(=O)NCc2cccs2)cc1 408709923 IRECNRGTFMTCMR-UHFFFAOYSA-N 421.522 3.495 0 40 HGAB COc1cc(/C=C2\SC(=O)N(C)C2=O)ccc1OS(=O)(=O)c1ccccc1 409356960 HPDGXISJTZQMLJ-WJDWOHSUSA-N 405.453 3.129 0 40 HGAB O=C(c1cc(N2CCNC2=O)ccc1F)N1CCCN(c2ccccc2Cl)CC1 514106465 YMJJUAMWAIHTOJ-UHFFFAOYSA-N 416.884 3.361 0 40 HGAB O=C(c1cc(-c2cccs2)[nH]n1)N1CC[C@H](c2ccccc2)S(=O)(=O)CC1 575619006 YZWKPGOKSNGFKT-GOSISDBHSA-N 401.513 3.140 0 40 HGAB CS(=O)(=O)c1ccc(CCC(=O)NC[C@@H](O)c2csc3ccccc23)cc1 585372106 IUIQVSOGZCMURH-GOSISDBHSA-N 403.525 3.087 0 40 HGAB Cc1cc(O[C@H](C)C(=O)N[C@@H]2CC(=O)N(C(C)(C)C)C2)c2c(C)c(C)c(=O)oc2c1 1565524528 JTPQVMXTDQPOHK-HZPDHXFCSA-N 414.502 3.001 0 40 HGAB O=C(NC1CCCCC1)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(F)cc1 804372 OWRYMDCMSFUHCW-NRFANRHFSA-N 416.518 3.390 0 40 HGAB O=C(Nc1ccccn1)c1cccc(S(=O)(=O)N2C[C@@H](c3ccccc3)CC2=O)c1 1421305 YIMQMSPVGQINKW-SFHVURJKSA-N 421.478 3.039 0 40 HGAB Cc1c(NC(=O)c2ccn(COc3ccccc3F)n2)c(=O)n(-c2ccccc2)n1C 2798353 UXFRIXICVKUROM-UHFFFAOYSA-N 421.432 3.109 0 40 HGAB O=C(CSc1ccc(Br)cc1)N1CCN(C(=O)c2ccco2)CC1 3264265 IDZAUSRAZXXGDD-UHFFFAOYSA-N 409.305 3.119 0 40 HGAB COc1ccc(-c2nnc(SCC(=O)Nc3cccc(C(F)(F)F)c3)n2N)cc1 3406117 SOSWVXPDNUEFRT-UHFFFAOYSA-N 423.420 3.417 0 40 HGAB O=C(COc1coc(CN2CCc3ccccc32)cc1=O)Nc1ccc(F)cc1F 4304639 AZSZJYSKSYZDRG-UHFFFAOYSA-N 412.392 3.498 0 40 HGAB COc1cc(Cl)c(C)cc1NC(=O)COC(=O)c1cc(=O)[nH]c2ccccc12 4829425 NPDLYVFVMUHHFO-UHFFFAOYSA-N 400.818 3.294 0 40 HGAB Cc1nc(N2CCN(c3ccccn3)CC2)nc2c1C(=O)C[C@H](c1ccccc1O)C2 5274294 WRGCHHRCWNKDQM-QGZVFWFLSA-N 415.497 3.125 0 40 HGAB CC[C@@H](C)NC(=O)COC(=O)c1cc(-c2ccccc2)c(N2CCOCC2)s1 5292074 WDVWPTCCJDGXCD-OAHLLOKOSA-N 402.516 3.323 0 40 HGAB COc1ccc(COC(=O)c2ccccc2S(=O)(=O)N2CCCCC2)cc1F 5806173 LSMKTUOSWYCGPM-UHFFFAOYSA-N 407.463 3.366 0 40 HGAB CC(C)CNS(=O)(=O)c1ccc(OCC(=O)NC2CCCCCC2)c(Cl)c1 6326617 APMLNZDVVLWNCQ-UHFFFAOYSA-N 416.971 3.492 0 40 HGAB CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)N1CCN(c2cccc(Cl)c2)CC1 6583307 KJGWMZSYJFWAPD-QFIPXVFZSA-N 413.949 3.372 0 40 HGAB Cc1csc(=O)n1CCC(=O)OCC(=O)Nc1ccc(SC(F)F)cc1 6607365 VZABCZOGCNWWOK-UHFFFAOYSA-N 402.444 3.105 0 40 HGAB CCN(CC(=O)NCC(=O)Nc1ccc(Br)cc1C)Cc1ccccc1 7437630 SCZOVAMVJMISPP-UHFFFAOYSA-N 418.335 3.334 0 40 HGAB CCNc1ccc(S(=O)(=O)N(C)C)cc1NCC(=O)Nc1cccc(Cl)c1 7978522 KBDLREVIOMFELQ-UHFFFAOYSA-N 410.927 3.073 0 40 HGAB Cc1ccccc1-n1cnnc1SCC(=O)N1c2ccccc2NC(=O)C[C@H]1C 8133032 SIZKDISPRKFBJQ-OAHLLOKOSA-N 407.499 3.432 0 40 HGAB C[C@H]1CCCC[C@H]1NC(=O)CN(C)CC(=O)Nc1ccc(OC(F)(F)F)cc1 8238468 PCHIXJBXDZUETJ-XJKSGUPXSA-N 401.429 3.150 0 40 HGAB CC(C)[C@@H](NC(=O)CSc1nnc(C2CC2)n1C)c1ccc2c(c1)OCCO2 8327880 MZXODUGHFNFYFC-GOSISDBHSA-N 402.520 3.069 0 40 HGAB c1nc2c(Nc3ccc4c(c3)OCCO4)nc(Nc3ccc4c(c3)OCCO4)nc2[nH]1 8993258 WAWYOKYUWRZFQH-UHFFFAOYSA-N 418.413 3.383 0 40 HGAB CCOc1ccc(N2C[C@H](CNC(=O)Nc3ccc(OC)cc3OC)CC2=O)cc1 9039538 ULGYXJRRBOGYCG-HNNXBMFYSA-N 413.474 3.277 0 40 HGAB COc1ccc(C)cc1NC(=O)[C@@H](CC(C)C)NC1=NS(=O)(=O)c2ccccc21 9053168 MRGCVRYVRAFCHK-QGZVFWFLSA-N 415.515 3.096 0 40 HGAB CCOc1c(Cl)cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)cc1OC 9259511 HCYUHOKMRRRYFA-XNTDXEJSSA-N 424.906 3.406 0 40 HGAB COc1ccccc1N(C)S(=O)(=O)c1ccc(C)c(C(=O)N[C@H](C)C2CC2)c1 9583945 UGRMOYQPVZOSBV-OAHLLOKOSA-N 402.516 3.357 0 40 HGAB COc1cc(C(=O)NC(=S)Nc2ccc(C(=O)O)c(Cl)c2)cc(OC)c1OC 10127981 WSTIUFRQLBIUDV-UHFFFAOYSA-N 424.862 3.191 0 40 HGAB COc1ccc(-c2nnc(O)c3c2[C@H](c2ccccc2Cl)n2nnnc2N3)cc1 10295317 AQVRSWBGWDCYNW-KRWDZBQOSA-N 407.821 3.192 0 40 HGAB Cc1c(NS(C)(=O)=O)cccc1C(=O)Nc1ccccc1C(=O)NCC(C)C 10315249 YLCBWOXRXPXKFR-UHFFFAOYSA-N 403.504 3.005 0 40 HGAB Cc1ccc(S(=O)(=O)N2c3ccc(C(=O)NCc4ccncc4)cc3C[C@@H]2C)cc1 10326537 USFROHJTMRDDOZ-KRWDZBQOSA-N 421.522 3.460 0 40 HGAB O=C(Nc1cccc(CNS(=O)(=O)c2ccc(Br)cc2)c1)C1CC1 10668209 QVQRRWNKSLKXCS-UHFFFAOYSA-N 409.305 3.276 0 40 HGAB CCN(CC)C(=O)c1ccc(NC(=O)CNc2ccc(S(=O)(=O)CC)cc2)cc1 11039250 RXUUMFBZWABUBW-UHFFFAOYSA-N 417.531 3.013 0 40 HGAB C[C@H](Sc1nnc(N2CCCC2)n1C1CC1)C(=O)NCCc1ccc(F)cc1 11780542 SSROJTLNQSHHRV-AWEZNQCLSA-N 403.527 3.192 0 40 HGAB Cc1cc(C)cc(OCC(=O)N(Cc2ccccc2F)[C@@H]2CCS(=O)(=O)C2)c1 12062683 XAPXLKMXYLHVER-GOSISDBHSA-N 405.491 3.037 0 40 HGAB Cn1ccc(C(=O)N2CCC[C@H](c3nc4ccccn4c3NC(C)(C)C)C2)cc1=O 12088157 VVFWMYNLPDFBKF-KRWDZBQOSA-N 407.518 3.263 0 40 HGAB O=C(CN1C(=O)[C@@H]2CCCN2C(=O)c2ccccc21)Nc1ccccc1C(F)(F)F 12146223 CRPFZPOCJYDVOB-KRWDZBQOSA-N 417.387 3.295 0 40 HGAB O=C(NC1CCN(Cc2ccccc2)CC1)c1cc(=O)c(OCc2ccccc2)c[nH]1 12168537 XVHDLTTUEZVJIT-UHFFFAOYSA-N 417.509 3.348 0 40 HGAB CC[C@@H](Cn1nc(-c2cccs2)ccc1=O)NC(=O)CCn1ncc2ccccc21 12185181 YZYOLKSQFBHJFQ-KRWDZBQOSA-N 421.526 3.307 0 40 HGAB CCc1cc(C(=O)N[C@@H]2CC(C)(C)Cc3nc(N4C[C@H](C)O[C@H](C)C4)ncc32)no1 12276626 WEKXXUKUSISKSG-QWQRMKEZSA-N 413.522 3.084 0 40 HGAB COc1cc2c(cc1CN1CCC(NC(C)=O)(c3ccc(F)cc3)CC1)OCO2 12328319 IHVFOPKTIJJNRP-UHFFFAOYSA-N 400.450 3.190 0 40 HGAB Cn1nc(C2CCCCC2)cc1[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)CCCC(=O)O 12602021 BCDXJRTUUYNMPM-OTWHNJEPSA-N 416.566 3.017 0 40 HGAB biogenic,in-vitro CCN(Cc1cccc(F)c1)C(=O)CN1CCC(C(=O)Nc2ccccc2O)CC1 12756926 PHRRURIIAQUJRF-UHFFFAOYSA-N 413.493 3.231 0 40 HGAB CC[C@H](C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)c1ccccc1 12810465 LYJDAYWYFDSAAS-KRWDZBQOSA-N 422.934 3.493 0 40 HGAB CCC(C)(C)[C@H]1CCc2nc3ccccc3c(C(=O)OCCN3C(=O)CNC3=O)c2C1 12847736 FUOFNBUSVHLOMU-HNNXBMFYSA-N 423.513 3.485 0 40 HGAB Cc1ccc2oc(C(=O)Nc3ccccc3C(=O)NC[C@@H]3CCCO3)cc(=O)c2c1 12917618 ZUUAVOBYATVNGL-HNNXBMFYSA-N 406.438 3.263 0 40 HGAB CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C)c2cccc(C(F)(F)F)c2)cc1 13097939 XKIFGKKXUTXZIU-GFCCVEGCSA-N 400.422 3.495 0 40 HGAB CCNC(=O)CCC/C=C/C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1/C=C\[C@@H](O)CCc1ccccc1 13532609 AQOKCDNYWBIDND-XCWFKVGJSA-N 415.574 3.147 0 40 HGAB C[C@@H](c1ccccc1)N1C[C@@H](C(=O)NCc2ccc(N3CCCC3=O)cc2)CC1=O 14168040 PYBYDQVGJLFCHJ-PXNSSMCTSA-N 405.498 3.039 0 40 HGAB COC(=O)Cn1c(S[C@@H](C)C(=O)c2ccc(F)c(F)c2)nc2ccccc2c1=O 14242706 MAZSIZKDFHRWJD-NSHDSACASA-N 418.421 3.211 0 40 HGAB COc1ccc([C@H]2CCCN2C(=O)CCN2C(=O)COc3ccccc32)c(OC)c1 15830618 QBMNFPNEBMSEJU-GOSISDBHSA-N 410.470 3.183 0 40 HGAB CCOC(=O)/C=C/c1ccc(NC(=O)CCS(=O)(=O)c2ccc(F)cc2)cc1 18239582 SCLNBVXKMPSULA-LFYBBSHMSA-N 405.447 3.205 0 40 HGAB C[C@H](Oc1cccc(F)c1)C(=O)N1CC[C@H](c2cc(O)nc(-c3ccccn3)n2)C1 19077642 SNESGIXLYNGAPG-GJZGRUSLSA-N 408.433 3.167 0 40 HGAB C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@@H](CN4CCN(Cc5ccccc5)CC4)[C@H]3[C@@H](O)[C@@]21C 19369856 WRMKBSBJQCLVBI-VGUVQKNXSA-N 424.585 3.089 0 40 HGAB biogenic CCC[C@H]1C[C@](O)(Cn2cnc3c(c(C)c(C)n3Cc3ccccc3)c2=O)CCN1 19502089 PBRXHBHONRNLGG-RDPSFJRHSA-N 408.546 3.146 0 40 HGAB COc1cccc([C@@H]2CNC[C@H]2c2cc(O)nc(N(C)CCc3ccccc3)n2)c1 19586240 UIEPGKWQIAJWEH-LEWJYISDSA-N 404.514 3.340 0 40 HGAB COc1cc(CN2CCC[C@@H](c3nc(-c4ccncc4)cc(=O)[nH]3)C2)cc(OC)c1 19595109 XFQCUJHSLBTZAX-GOSISDBHSA-N 406.486 3.229 0 40 HGAB Nc1n[nH]c2nc([C@@H]3CCCCN3CC(=O)N3CCCCC3)cc(C(F)(F)F)c12 19743396 BSGAWTYCPJMXOO-AWEZNQCLSA-N 410.444 3.098 0 40 HGAB Cc1nn(C)cc1CN1CCO[C@@H](c2cc(C(=O)NCC(C)C)c3ccccc3n2)C1 19759705 MXYQEIHMIVNWMS-HSZRJFAPSA-N 421.545 3.236 0 40 HGAB CCN1CCN([C@H](c2ccc(Cl)cc2)c2nnnn2Cc2ccc(F)cc2)CC1 20141229 NQMKFYLZLMRUJF-HXUWFJFHSA-N 414.916 3.241 0 40 HGAB O=C(NCCCc1ccccc1)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1 22523435 BBLLXNMTUASPDA-UHFFFAOYSA-N 418.534 3.117 0 40 HGAB COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)C(=O)N[C@@H](C)c1ccc(F)cc1 22539474 ALYXJPASSOQLJG-RYUDHWBXSA-N 414.886 3.032 0 40 HGAB O=C(CCc1ncc(-c2ccccc2)o1)NC[C@H]1CN(Cc2ccccc2)CCO1 22687489 XBRIGDRJNCRQFE-NRFANRHFSA-N 405.498 3.291 0 40 HGAB O=C(C[C@@H]1C(=O)N(C[C@H]2CCCO2)c2nc3ccccc3n21)Nc1cccc(F)c1 23382159 YUBFEJKUTKNPGE-VQIMIIECSA-N 408.433 3.271 0 40 HGAB CC(=O)c1ccc(N2CCN(C[C@H](O)CO[C@H]3CCCc4ccccc43)CC2)cc1 23409380 OGWTUTVQGZESEI-ZCYQVOJMSA-N 408.542 3.466 0 40 HGAB COc1ccc([C@@H]2CCCCCN2S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)cc1 24052142 ORXFGCUFCWBXTA-FQEVSTJZSA-N 423.556 3.405 0 40 HGAB Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)NCCSC(C)(C)C)CC1 24611107 BEAALZAYZQKGFC-UHFFFAOYSA-N 412.621 3.185 0 40 HGAB O[C@@H](COc1ccccc1Br)CN1CCN(c2ccccc2F)CC1 26781841 WRBKLKUKJQMEEB-OAHLLOKOSA-N 409.299 3.150 0 40 HGAB COc1cccc([C@@H](CN2C(=O)[C@@H](C)NC2=S)c2c[nH]c3ccccc23)c1OC 27401085 JXBKROFAAGTCJX-CXAGYDPISA-N 409.511 3.422 0 40 HGAB O=C(CN1CCN(Cc2ccccc2)CC1)NCc1ccccc1OC(F)(F)F 29634941 QCHSZLOYNQLQJN-UHFFFAOYSA-N 407.436 3.019 0 40 HGAB CCc1ccc(N(CC(=O)NCc2ccc(OC(C)C)cc2)S(C)(=O)=O)cc1 30752936 JEJLGLGMZSSHMJ-UHFFFAOYSA-N 404.532 3.119 0 40 HGAB COC(=O)c1c(SCC(=O)Nc2ccccc2-c2ccccc2)nc(=O)[nH]c1C 31618186 DKVXUEHUAKMMIQ-UHFFFAOYSA-N 409.467 3.263 0 40 HGAB Cc1nc(NC(=O)[C@H]2Cc3ccccc3C(=O)O2)sc1Cc1ccc2c(c1)OCO2 32674880 SXMTVEORXLZYBS-GOSISDBHSA-N 422.462 3.491 0 40 HGAB Nc1cc(=O)[nH]c(SCC(=O)N2c3ccccc3SC[C@@H]2c2ccccc2)n1 32741559 JVXAYGCCUIKYHM-OAHLLOKOSA-N 410.524 3.324 0 40 HGAB O=C(CSc1nnnn1C1CCCC1)Nc1ccccc1C(=O)N1CCCCC1 32760627 XZXZGSOFWJHNAM-UHFFFAOYSA-N 414.535 3.145 0 40 HGAB C[C@H]1CCC[C@@H](C)N1S(=O)(=O)c1ccc(NC(=O)CN2CCCCCC2)cc1 35313662 YGDBYGJITSLPBV-HDICACEKSA-N 407.580 3.453 0 40 HGAB COc1ccc(C(C)(C)C)cc1N[C@@H](C)C(=O)N1CCN(C(=O)c2ccco2)CC1 36394206 AZGVXEDQWLTUSG-INIZCTEOSA-N 413.518 3.371 0 40 HGAB COc1ccc2c(ccn2CCC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)O)c1 36579948 OXCSPHWGLNUPJC-HXUWFJFHSA-N 405.454 3.333 0 40 HGAB biogenic CS(=O)(=O)Cc1ccc(C(=O)NCc2cccnc2Oc2cccc(F)c2)cc1 40094176 PWLKFNOIJKKHOQ-UHFFFAOYSA-N 414.458 3.488 0 40 HGAB CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)c1ccc(-n2ccc(C)n2)cc1 40118682 CDGINQUAQXPNTM-UHFFFAOYSA-N 420.469 3.053 0 40 HGAB C[C@H]1CN(c2ccc(NC(=O)CCS(=O)(=O)C3CCCC3)cc2F)C[C@H](C)O1 40145493 PPLSMMCYPQCQAV-GJZGRUSLSA-N 412.527 3.125 0 40 HGAB Cc1cc(NC(=O)CCCc2nc3ccccc3s2)n([C@@H]2CCS(=O)(=O)C2)n1 44838774 XVCSXMMBFLBGJU-CQSZACIVSA-N 418.544 3.122 0 40 HGAB COc1ccc(NC(=O)CCc2nc(-c3cc4ccccc4[nH]c3=O)no2)c(OC)c1 64790027 OOCMMFZUPKZUEH-UHFFFAOYSA-N 420.425 3.167 0 40 HGAB COc1cc(NC(=O)C[C@H]2C(=O)Nc3c(-c4ccccc4)cnn32)cc(OC)c1OC 71287838 QGWUMQOVOVEBTB-INIZCTEOSA-N 422.441 3.098 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2cccnc2N2CCOCC2)cc1 72216261 LZKKZVWGFITEFL-FQEVSTJZSA-N 401.532 3.143 0 40 HGAB O=C(Nc1cc(-c2ccc(I)cc2)[nH]n1)c1ccnc(F)c1 72275198 FGXGDPSWUNFTOK-UHFFFAOYSA-N 408.174 3.468 0 40 HGAB Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)[C@H](C)Oc1cccnc1 72287249 ZAESLJTYYCNMCU-ZDUSSCGKSA-N 406.280 3.017 0 40 HGAB CN(C)CC(=O)N1CCCC[C@@H]1c1nc(N)ncc1-c1cccc(C(F)(F)F)c1 72377179 UERBNJJDXNBNPK-MRXNPFEDSA-N 407.440 3.360 0 40 HGAB CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NC[C@@H]1CCCN(C(=O)c2cccs2)C1 89661975 YBHVRCIUSFTNIF-JKSUJKDBSA-N 421.563 3.116 0 40 HGAB CC(C)Cn1cnc2ccc(NC(=O)CCN3Cc4ccccc4C3=O)cc2c1=O 95477817 OMVSGZDELWAVFA-UHFFFAOYSA-N 404.470 3.037 0 40 HGAB COC(=O)c1cc(S(=O)(=O)N(C[C@@H](O)c2ccccc2)CC(C)(C)C)oc1C 95986222 PJMCTLNUEPVIKA-QGZVFWFLSA-N 409.504 3.145 0 40 HGAB COc1ccc(-n2nc3ccc4c(c3n2)[C@@H](c2ccc[nH]c2=O)CC(=O)N4)cc1Cl 96223076 IHKGDRSFHSKCBN-CYBMUJFWSA-N 421.844 3.245 0 40 HGAB Cc1ccc(C)c(C(=O)COC(=O)[C@H](C(C)C)N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)c1 101154392 LFVFIRCVBDCTAY-NHUSPQTBSA-N 411.498 3.085 0 40 HGAB COc1ccc(C2=NO[C@@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)[C@H]23)cc1OC 101305953 IJSZYXIPCQHLOG-WBVHZDCISA-N 421.236 3.303 0 40 HGAB COc1cc(C(=O)OCC(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)cc(OC)c1OC 102190750 BCHPVZJCKLSIRJ-QRQCRPRQSA-N 405.491 3.296 0 40 HGAB O=C(O)CC12C[C@@H]3C[C@H](C1)CC(n1ncc(NC[C@H]4CCCO4)c(Cl)c1=O)(C3)C2 104070075 DVBMTEUIDSJCBO-VNTAWAQOSA-N 421.925 3.258 0 40 HGAB O=C(CCS(=O)(=O)c1ccccc1)Nc1sccc1-c1nc(C2CC2)no1 206891515 DOLSJMCTRHWIOE-UHFFFAOYSA-N 403.485 3.478 0 40 HGAB CC(C)S(=O)(=O)c1ccc(CC(=O)NC[C@](C)(O)c2cc3ccccc3o2)cc1 217992000 KKGQWCYUFCFVRJ-QFIPXVFZSA-N 415.511 3.181 0 40 HGAB CC[C@@H](C(=O)NCCSCc1ccco1)N(c1cc(C)cc(C)c1)S(C)(=O)=O 220567796 YLTMNNQLGMPZFS-IBGZPJMESA-N 424.588 3.491 0 40 HGAB C[C@@H](NC(=O)CN(Cc1ccccc1)S(C)(=O)=O)c1ccc2c(c1)CCCC2 223003339 UPSJGCFSLDJIHV-QGZVFWFLSA-N 400.544 3.204 0 40 HGAB COc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@H]3C[C@H]4CC[C@@H]3C4)cc2)cc1 223982235 DSIQFGBKRZPAOT-NBQZKYEYSA-N 400.500 3.414 0 40 HGAB CC[C@H](C(=O)NC(C)(C)Cc1ccccc1)N(c1cccc(OC)c1)S(C)(=O)=O 224581071 SRXVAEXFIMQGKO-HXUWFJFHSA-N 418.559 3.377 0 40 HGAB COc1ccc(S(=O)(=O)NCC2CCN(c3ccnc(C)c3)CC2)cc1Cl 253405897 TXRZSTQROOGUNY-UHFFFAOYSA-N 409.939 3.247 0 40 HGAB Cc1cc(Nc2cccc(C3(C(=O)O)CCN(C(=O)OC(C)(C)C)CC3)n2)[nH]n1 257278142 OAZRBHZLNFAJSH-UHFFFAOYSA-N 401.467 3.210 0 40 HGAB O[C@@]1(CN2CCC(F)(F)CC2)CCN(Cc2ccc(OCc3ccccn3)cc2)C1 257286415 PLNKAFXSKHBSND-JOCHJYFZSA-N 417.500 3.329 0 40 HGAB CC(C)c1ncc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)[C@H]3CCC(=O)N3)CC2)n1 257322999 WIIVIRPPBFDMKO-YVWKXTFCSA-N 421.545 3.331 0 40 HGAB CNC(=O)c1sc2nc([C@H]3CCCN3C(=O)c3cc(F)cc(F)c3)ccc2c1N 257331955 XVBKIEZTHDPYMX-OAHLLOKOSA-N 416.453 3.494 0 40 HGAB Cn1cc(-c2ccc3c(c2)[C@@H]2CN(Cc4ccc(Cl)cc4)C[C@@H]2S3(=O)=O)cn1 306140460 UUIWNSXPINNJPF-FPOVZHCZSA-N 413.930 3.496 0 40 HGAB Cc1cc(Br)c(NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)OC(C)(C)C)cc1C 408996708 ACRIGGNRSVKWNR-DOMZBBRYSA-N 413.312 3.375 0 40 HGAB COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(Br)ccc2OC)C1=O 409073804 IPRCWHAARAXOPM-LQGZHCLWSA-N 400.250 3.056 0 40 HGAB COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCCCOC(C)C)cc2)cc1 409411407 WIBKJPFKGXXWBA-UHFFFAOYSA-N 420.531 3.065 0 40 HGAB COCCN1c2cccnc2-n2cccc2[C@@]12CCN(C(=O)c1c[nH]c(Cl)c1)C2 585106905 KYPACWILIJFAQK-NRFANRHFSA-N 411.893 3.062 0 40 HGAB COCCN1c2cccnc2-n2cccc2[C@]12CCN(C(=O)Cc1ccsc1)C2 585107168 QKLVJZDFZBTPHZ-JOCHJYFZSA-N 408.527 3.071 0 40 HGAB CCS(=O)(=O)N1CCC[C@H](C(=O)N[C@H](c2cccc(C(F)(F)F)c2)C2CC2)C1 678327722 SAQXEUPQEHXZDD-RDJZCZTQSA-N 418.481 3.334 0 40 HGAB Cc1ccc2nc(NC(=O)CN3C(=O)N[C@@]4(C[C@H](C)CC(C)(C)C4)C3=O)sc2n1 1538103287 MOQYJVXSPOSBQU-BIBXISHDSA-N 415.519 3.075 0 40 HGAB CC(C)(C)c1ccc(=O)n(C2CCN(C(=O)COc3cccc(Cl)c3)CC2)n1 1775995082 ALVUMCIGXPFKTQ-UHFFFAOYSA-N 403.910 3.437 0 40 HGAB Cc1cn2nc(OCC3CCN(C(=O)[C@@H]4CCc5ccccc5O4)CC3)ccc2n1 1888913440 GPPSJXLGYZEAIY-FQEVSTJZSA-N 406.486 3.049 0 40 HGAB Cn1cc(-c2ccc(CCNC(=O)C(=O)Nc3cccc(C(F)(F)F)c3)s2)cn1 1889229185 CFOQVVFQLNMPAJ-UHFFFAOYSA-N 422.432 3.465 0 40 HGAB COc1cc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(Cl)c3)cc2)ncn1 945106 UODJTLCFURCBNY-UHFFFAOYSA-N 418.862 3.192 0 40 HGAB COc1ccc2c(C)c(CCC(=O)NCC3CCC(C(=O)O)CC3)c(=O)oc2c1C 2096909 VVMBRBNVTGWWSX-UHFFFAOYSA-N 415.486 3.358 0 40 HGAB biogenic O=S(=O)(c1ccc(Br)s1)N1CCN(c2ccc(F)cc2)CC1 2422183 WPDLIASRMMKYBJ-UHFFFAOYSA-N 405.314 3.161 0 40 HGAB CCN(CC(=O)NCc1ccc(Cl)cc1)S(=O)(=O)c1cccc(Cl)c1 2655933 HNHGORDHUHLNEF-UHFFFAOYSA-N 401.315 3.320 0 40 HGAB CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)[C@@H](C)Sc1nnnn1C 2657708 NHAQWHLBDWTFLP-LLVKDONJSA-N 417.516 3.235 0 40 HGAB Nc1cccc(C(=O)C[C@@]2(O)C(=O)N(Cc3ccc4c(c3)OCO4)c3ccccc32)c1 4107160 CUDYBZQGTJOHJV-DEOSSOPVSA-N 416.433 3.005 0 40 HGAB CCOc1cc(Br)c(Br)c(/C=C2/SC(=N)NC2=O)c1O 4257666 OOXVSCBRKNTCNN-FPYGCLRLSA-N 422.098 3.455 0 40 HGAB COCCn1nnnc1CN(Cc1cc2c(C)ccc(C)c2[nH]c1=O)C1CCCCC1 4847442 IAGUALQMIUNOOR-UHFFFAOYSA-N 424.549 3.113 0 40 HGAB COc1ccc(CCN[C@@H](CC(=O)Nc2ccc3ccccc3c2)C(=O)O)cc1OC 5258878 NZKDNSGGCSYPEG-FQEVSTJZSA-N 422.481 3.471 0 40 HGAB COc1cccc([C@@H]2c3c(n[nH]c3-c3cc(Cl)c(C)cc3O)C(=O)N2CCO)c1 5343060 QMGURYPYNPIVBY-HXUWFJFHSA-N 413.861 3.290 0 40 HGAB CC[C@H]1CN(S(=O)(=O)c2ccc(OC)cc2)CC[C@H]1CC(=O)NCc1ccco1 5415206 JFDCPSOUWXLTIG-IRXDYDNUSA-N 420.531 3.032 0 40 HGAB biogenic,in-vitro C[C@@H]1Cc2ccccc2N1C(=O)CN(C)CC(=O)Nc1ccc(OC(F)(F)F)cc1 6578604 JNRYHGFNCSXXQZ-CQSZACIVSA-N 421.419 3.433 0 40 HGAB CCN(c1ccc(C)cc1C)S(=O)(=O)c1nnc(NC(=O)c2ccco2)s1 6818401 VFIXBSQUAVVLIT-UHFFFAOYSA-N 406.489 3.215 0 40 HGAB COc1ccc(CCC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)cc1OC 7007780 OQVCPNKGUPQQJJ-UHFFFAOYSA-N 418.515 3.060 0 40 HGAB CCOc1cc([C@H]2NC(N)=Nc3nc4ccccc4n32)cc(Br)c1OC 7126210 ACDPTBYAQMKWDV-INIZCTEOSA-N 416.279 3.302 0 40 HGAB CS(=O)(=O)c1cccc(NC(=O)CN2CCC[C@H]2c2nc3ccccc3s2)c1 7360034 IRWXZCCDKRUKPR-KRWDZBQOSA-N 415.540 3.475 0 40 HGAB COc1ccccc1N1CCN(Cc2nc(=O)c3c4c(sc3[nH]2)CCCC4)CC1 7738352 MBTUJELVXQRJRJ-UHFFFAOYSA-N 410.543 3.194 0 40 HGAB COc1ccc(NC(=O)c2cccc(NC(=O)[C@H]3[C@H]4C(=O)O[C@@H]5C[C@H]3C[C@H]45)c2)cc1 7939438 QQXBZRVBWSHJNM-VUCAUUSGSA-N 406.438 3.084 0 40 HGAB O=C(CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O)c1ccc(Cl)cc1Cl 7988785 PATUMSAZSIBALF-LJQANCHMSA-N 405.237 3.406 0 40 HGAB C[C@H](Sc1nnc(NCc2ccco2)s1)C(=O)N1CC(=O)Nc2ccccc21 8177041 SGRNTWIQNSSUME-NSHDSACASA-N 415.500 3.209 0 40 HGAB COc1ccccc1NC(=O)[C@H]1CC(=O)Nc2nc(SCc3ccccc3)nn21 8914149 VGVPQOGCSGRSOI-OAHLLOKOSA-N 409.471 3.101 0 40 HGAB CSc1nc(N2CCCC2)c2cnn(CCNC(=O)c3cc4ccccc4o3)c2n1 8946865 HQUXPJNDDVZHLS-UHFFFAOYSA-N 422.514 3.325 0 40 HGAB Cc1ccc(C)c(Cn2c(=O)c3c(nc4oc(-c5ccccc5)cn43)n(C)c2=O)c1 9789620 AGFWBNOHQILWSW-UHFFFAOYSA-N 400.438 3.273 0 40 HGAB CS(=O)(=O)Cc1cccc(C(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)c1 9960131 RETOQAOPSAIOSS-UHFFFAOYSA-N 424.404 3.083 0 40 HGAB O=C(CCCOc1cccc(Br)c1)OCc1cc(=O)n2ccsc2n1 10213079 FNLDIUWRBDXDKK-UHFFFAOYSA-N 423.288 3.421 0 40 HGAB CCNc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)c1ccccc1OC 12522496 AHLKRXLXNPWQMJ-UHFFFAOYSA-N 405.520 3.410 0 40 HGAB O=C(NCCNS(=O)(=O)c1ccc(Cl)cc1)c1ccc(C(F)(F)F)cc1 12799790 MWYZWVCCIDZCSR-UHFFFAOYSA-N 406.813 3.067 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3c4ccccc4C[C@@H]3C)C2)s1 12904611 ZQGHTKPMXGTPDN-WMLDXEAASA-N 404.557 3.435 0 40 HGAB Cc1cc(C(C)(C)C)cc(C)c1CCNC(=O)Cc1c(C)nc2nc(N)nn2c1C 12909639 YRZQMTWBFHIILZ-UHFFFAOYSA-N 408.550 3.139 0 40 HGAB Nc1nccnc1C(=O)N1CCN(Cc2ccc(-c3ccccc3Cl)s2)CC1 12917080 ZMZFGSWFUCXFRD-UHFFFAOYSA-N 413.934 3.399 0 40 HGAB COc1cc(OC)c(OC)cc1CNS(=O)(=O)c1ccc(Br)s1 12999082 KESIPRYAPGHIFO-UHFFFAOYSA-N 422.322 3.015 0 40 HGAB Cc1ccccc1Nc1nc(N)nc(CN(C)CC(=O)Nc2c(C)cccc2C)n1 13098262 ABCMJBATHZSNMA-UHFFFAOYSA-N 405.506 3.193 0 40 HGAB Cc1cc(-c2cnn(CCNC(=O)c3snnc3C)c2-c2cccs2)on1 13226744 ZAQAAUHBBJSYMC-UHFFFAOYSA-N 400.489 3.165 0 40 HGAB CC[C@H](C(=O)N1CCc2ccccc2C1)N(c1cccc(Cl)c1)S(C)(=O)=O 13712110 HAEGMSCTLKDGHY-LJQANCHMSA-N 406.935 3.470 0 40 HGAB COc1ccc(Cl)cc1C(=O)Nc1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O 13955153 IMYSDNYWADZOMB-CQSZACIVSA-N 414.845 3.376 0 40 HGAB O=C(c1ccccc1Cl)N1CCN([C@@H](C(=O)N2CCCC2)c2ccccc2)CC1 13988319 NTYXYNWNAZQACX-OAQYLSRUSA-N 411.933 3.462 0 40 HGAB CCSc1nnc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)cs2)s1 13996606 XXGPJIBAXBPTOM-UHFFFAOYSA-N 418.591 3.139 0 40 HGAB Cc1c(O)ccc2c(CN3CCC(C(=O)NCc4ccccc4)CC3)cc(=O)oc12 15543597 MNFYFBAFTIEIML-UHFFFAOYSA-N 406.482 3.335 0 40 HGAB Cc1ccc(NC(=O)c2ccc(S(C)(=O)=O)cc2)cc1I 15984029 NJPBZYVSRJHZLF-UHFFFAOYSA-N 415.252 3.255 0 40 HGAB O=C(O)CNC(=O)/C(=C/c1cccc2ccccc12)NC(=O)c1ccccc1Cl 18191805 VGLPCPPQCBXXIA-UNOMPAQXSA-N 408.841 3.465 0 40 HGAB Cc1cccc(C(=O)O[C@H](C)C(=O)N2CC(=O)Nc3cc(C(F)(F)F)ccc32)c1N 18467635 WJDQRZKJMCLHPW-LLVKDONJSA-N 421.375 3.127 0 40 HGAB Cc1cnc(-c2nnc([C@H]3CCN(C(=O)CCc4cn(C)c5ccccc45)C3)o2)cn1 19239154 AIRJGINPRLLGJE-KRWDZBQOSA-N 416.485 3.275 0 40 HGAB O=C(c1ccc(CN2CCCCC2)cc1)N1CCC[C@@H](c2n[nH]c3nccnc23)C1 19334132 QTLHYTPIMZXBFS-LJQANCHMSA-N 404.518 3.359 0 40 HGAB O=C(NCCc1ccccn1)c1cc(C2CCN(C(=O)c3ccccc3F)CC2)no1 19347462 SSWPFVNTJOBTJT-UHFFFAOYSA-N 422.460 3.201 0 40 HGAB Cc1cc(C)cc(-c2ccccc2C[C@H]2CN(C(=O)c3ccnn3C)CCNC2=O)c1 19569869 ULPHUPNNIZMVTA-NRFANRHFSA-N 416.525 3.135 0 40 HGAB O=C(Nc1cccc(N2CCCCS2(=O)=O)c1)c1cccc(Nc2ncccn2)c1 19662698 DZCJHZDIBREYQM-UHFFFAOYSA-N 423.498 3.403 0 40 HGAB COc1ccc(-c2ccnc3c(C(=O)N4CCC[C@@H](Cn5ccnc5)C4)cnn23)cc1 19719035 HWRMKUXNQQFSQE-KRWDZBQOSA-N 416.485 3.154 0 40 HGAB Cc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)N3CC[C@H](C)[C@@H]4CCCC[C@H]43)=C2)cc1 20366864 FGFFGUWDGCADLG-XKGZKEIXSA-N 415.559 3.285 0 40 HGAB Cc1c(Cl)cccc1NC(=O)CNS(=O)(=O)c1ccc(Br)cc1 21184969 ZOYHDJPFEXHXIT-UHFFFAOYSA-N 417.712 3.328 0 40 HGAB CC(C)n1cnc2nc(COc3ccc(NC(=O)c4ccc(F)cc4)cc3)cc(=O)n21 21796944 DAPZTRXQHZNHIA-UHFFFAOYSA-N 421.432 3.442 0 40 HGAB COc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2ccc(F)cc2F)c1 22229862 WMTHZCAJZWLAOE-QGZVFWFLSA-N 410.442 3.074 0 40 HGAB CC(C)Oc1ccc(N(CC(=O)N[C@H](C)CCc2ccccc2)S(C)(=O)=O)cc1 22400011 XVEIJWCLKVWIJU-GOSISDBHSA-N 418.559 3.377 0 40 HGAB O=S(=O)(NCCCOC[C@@H]1CCCO1)c1ccc(Cl)c(C(F)(F)F)c1 24992823 QZCGRZWRLADIAP-NSHDSACASA-N 401.834 3.223 0 40 HGAB COc1ccc(-c2noc(CN3C(=O)N[C@](C)(c4ccc5c(c4)CCC5)C3=O)n2)cc1 25255306 WGZAFQASMWJNEL-HSZRJFAPSA-N 418.453 3.201 0 40 HGAB CCc1cccc(N2C[C@H](C(=O)Nc3ccc(C(=O)c4nccn4C)cc3)CC2=O)c1 25675466 CIZILWHCYRXLEV-GOSISDBHSA-N 416.481 3.205 0 40 HGAB Cc1noc([C@@H](C)N2CCN(S(=O)(=O)c3ccc(C4CCCCC4)cc3)CC2)n1 27817656 QEGXREMAVLEXID-MRXNPFEDSA-N 418.563 3.493 0 40 HGAB Cc1cc(NC(=O)[C@H](C)SCC(=O)N(Cc2ccco2)Cc2ccco2)no1 30471622 LTKXXBZUXIJIMF-AWEZNQCLSA-N 403.460 3.458 0 40 HGAB Cc1[nH]c2ccc(Br)cc2c1CC(=O)Nc1cccc(S(N)(=O)=O)c1 31547180 MOTOJGSOGNNTPC-UHFFFAOYSA-N 422.304 3.067 0 40 HGAB CSCC[C@H](NC(=O)[C@H]1CCCN(c2ncccn2)C1)c1nc2ccccc2[nH]1 32614270 MZFZNYVSMAQKFV-YJBOKZPZSA-N 410.547 3.180 0 40 HGAB Cc1nc2ccc(C(=O)Nc3ccc(Cl)c(S(=O)(=O)N(C)C)c3)cc2nc1C 32740590 ZPNJGVGZPKFENJ-UHFFFAOYSA-N 418.906 3.403 0 40 HGAB CS(=O)(=O)c1ccc2nc(NC(=O)c3csc(-n4cccc4)n3)sc2c1 38490434 URDOPYYFCXIZQX-UHFFFAOYSA-N 404.498 3.199 0 40 HGAB COc1ccc(SCC(=O)N2CCN(c3ccccc3OC)CC2)cc1OC 38756598 VIUZDQZTTXBWJE-UHFFFAOYSA-N 402.516 3.153 0 40 HGAB Cc1ccn2c(=O)c(C(=O)NCc3ccccc3CN3CCC[C@H](C)C3)cnc2c1 40112322 MFVQRYMWNOGQJY-SFHVURJKSA-N 404.514 3.165 0 40 HGAB O=C([C@H]1Cc2ccccc2CN1Cc1nc(Cc2ccccc2)no1)N1CCCC1 40120365 ALZVZDDKVUYCKG-OAQYLSRUSA-N 402.498 3.210 0 40 HGAB COC(=O)C1(NC(=O)[C@H]2CCCN(c3ncccc3C(F)(F)F)C2)CCCCC1 40132527 RZUPIGTYJFWOQS-AWEZNQCLSA-N 413.440 3.309 0 40 HGAB CCCn1cnc2nc(CSc3ccccc3NC(=O)c3ccco3)cc(=O)n21 41089824 YFRHDQQFLLUFNZ-UHFFFAOYSA-N 409.471 3.439 0 40 HGAB O=C(Nc1ccccc1F)[C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 44899883 PJMAPVKHKBXLBU-SFHVURJKSA-N 404.507 3.439 0 40 HGAB COc1ccccc1N1CCN(C(=O)Nc2ccc(OCC(F)(F)F)nc2)CC1 48199429 KQKHWTLTXSUNIJ-UHFFFAOYSA-N 410.396 3.385 0 40 HGAB CCN(CC(=O)NCc1cccs1)C(=O)COc1ccccc1C(F)(F)F 48365689 BSLMIRCVSFUDTI-UHFFFAOYSA-N 400.422 3.311 0 40 HGAB Cc1cc(C(=O)N(CCN(C)C)CC2CCCCC2)cc(S(=O)(=O)N(C)C)c1C 48366490 CRULIJRTWOEMDR-UHFFFAOYSA-N 423.623 3.138 0 40 HGAB CC(=O)[C@H]1CC(C(=O)NC[C@H](c2ccco2)N2CCCCC2)=NN1c1ccccc1 58304525 NEAOACMKSLQBER-NHCUHLMSSA-N 408.502 3.147 0 40 HGAB O=C(Nc1ccc(=O)n(Cc2ccccc2Cl)c1)c1cccnc1N1CCOCC1 72264325 HVDIPXCDNGJMKW-UHFFFAOYSA-N 424.888 3.034 0 40 HGAB O=C1CCC[C@H]1[C@H]1COCCN1C(=O)c1cc2c(F)cc(Br)cc2[nH]1 96011743 YBFNBJMFEZLPBP-MEDUHNTESA-N 409.255 3.280 0 40 HGAB COc1ccc(-c2nn(CCCC(=O)N3C[C@H](C)C[C@@H](C)C3)c(=O)cc2OC)cc1 96100907 GYWKVTNEYPMLLG-IAGOWNOFSA-N 413.518 3.212 0 40 HGAB O=C(NCc1cccs1)[C@H]1CN(C(=O)c2cc(F)cc(F)c2)CC12CCOCC2 96241166 JUMDNBNQNHNPSQ-GOSISDBHSA-N 420.481 3.212 0 40 HGAB CCOC(=O)c1ccc(NC(=O)/N=c2\c3ccccc3[nH]c(=O)n2CC(C)C)cc1 100903210 ARSXZHAHIYLOQW-NCELDCMTSA-N 408.458 3.295 0 40 HGAB CC[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1)c1ccc(OC)cc1 106129640 DDESFWHWMSZCGB-NQIIRXRSSA-N 416.543 3.363 0 40 HGAB CC(C)c1ccc(NC(=O)[C@@H]2CC(=O)Nc3[nH]c(N4CCC[C@H](C)C4)nc(=O)c32)cc1 139076284 YKORAJWGZXCCHQ-WMLDXEAASA-N 423.517 3.194 0 40 HGAB CCOc1ccc(CCCNC(=O)[C@H](CC)N(c2ccccc2)S(C)(=O)=O)cc1 219084998 CURKZJABJIICNF-NRFANRHFSA-N 418.559 3.379 0 40 HGAB CCc1ccc(N([C@H](C)C(=O)N(C)Cc2ccc(OC)cc2)S(C)(=O)=O)cc1 220260268 HEIYECQAFBMMAJ-MRXNPFEDSA-N 404.532 3.071 0 40 HGAB CCOc1ccccc1N(CCCC(=O)N(C)Cc1ccccc1)S(C)(=O)=O 222608205 KYWRJBWSONDVHW-UHFFFAOYSA-N 404.532 3.290 0 40 HGAB O=C(COc1ccc2c(c1)CCCC2)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 224197404 XTJJFIMHSDGKJR-UHFFFAOYSA-N 414.527 3.367 0 40 HGAB CCOC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)CC)c(C)c1 225670485 CNGPCJGSEXMHKZ-UHFFFAOYSA-N 416.499 3.272 0 40 HGAB O=C(c1ccc2nsnc2c1)N1CC[C@@H](Oc2ccc(Br)cn2)C1 238970025 ZICKWVAAGYNXIO-GFCCVEGCSA-N 405.277 3.142 0 40 HGAB COc1ccc2c(c1)O[C@]1(C[C@H]3CC[C@H]1C[C@@H]3C(=O)NCc1cccs1)NC2=O 247968582 TWBQDQTVERPRNQ-PREVHVLTSA-N 412.511 3.328 0 40 HGAB CN(CCc1ccccn1)C(=O)[C@@H]1C[C@H]2CC[C@@]1(C)C[C@]21NC(=O)c2ccccc2O1 253597056 ZPFSEKJMBPOXEM-FEORBNHVSA-N 419.525 3.428 0 40 HGAB Cn1cnc(S(=O)(=O)N2CCC[C@@H]2c2ncc(Cc3ccccc3Cl)o2)c1 257322056 WEKUSVVEDPTICZ-MRXNPFEDSA-N 406.895 3.178 0 40 HGAB c1cncc(-c2cnc3ncn(C4CCN(Cc5ccc6c(c5)OCO6)CC4)c3n2)c1 306132460 LJUJRNNCFBGUKL-UHFFFAOYSA-N 414.469 3.454 0 40 HGAB CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)NC(c2ccccc2)c2ccccc2)cc1 408598260 YNGRZCKLCPHRHF-KRWDZBQOSA-N 424.522 3.268 0 40 HGAB Cc1cccc(NC(=O)CN(Cc2ccc(Br)cc2)S(C)(=O)=O)c1 408610098 NQJNHSHNDXEQQW-UHFFFAOYSA-N 411.321 3.158 0 40 HGAB Cc1ccc(NC(=O)CSc2nnc(CNC(=O)c3ccccc3C)n2C)cc1C 409051514 CWYCFFIFZNWHEO-UHFFFAOYSA-N 423.542 3.401 0 40 HGAB C[C@H](NC(=O)c1ccc(S(N)(=O)=O)cc1Cl)c1cccc(N2CCCC2)c1 540588134 YVIUUAJWRQTAQG-ZDUSSCGKSA-N 407.923 3.079 0 40 HGAB O=C(CN1CCN(c2ccc(C3CC3)nn2)CC1)Nc1ccc(OC(F)(F)F)cc1 575619116 GVKLOBPNBYLSPX-UHFFFAOYSA-N 421.423 3.013 0 40 HGAB COCCN1c2cccnc2-n2cccc2[C@@]12CCN(C(=O)c1cc(C)c(C)o1)C2 585106680 FFHKFDHCYOJQSC-QHCPKHFHSA-N 406.486 3.290 0 40 HGAB O=C(Nc1ccccc1)c1nnc2n1CC[C@]1(CC2)CCN(C(=O)c2ccsc2)C1 585106918 LGQHNSPQWDMHAO-QFIPXVFZSA-N 421.526 3.461 0 40 HGAB COC(=O)c1cc2n(n1)CCC[C@@H]2NC(=O)c1ccc(-c2csc(C)n2)s1 1180100572 YCDSXCRVLIBAQH-NSHDSACASA-N 402.501 3.428 0 40 HGAB COc1ccc(C(=O)N2CCC[C@H](COc3cccc(C)n3)C2)c(OC)c1OC 1775971719 UEHUKAYTMBGWIL-INIZCTEOSA-N 400.475 3.347 0 40 HGAB Cc1c(Cl)cccc1NC(=S)NC(=O)CCN1C(=O)c2ccccc2C1=O 846814 ZODNQJUCKOXFTA-UHFFFAOYSA-N 401.875 3.148 0 40 HGAB COc1ccccc1-n1c(=O)c2c3c(sc2n2c(S)nnc12)COC(C)(C)C3 2293942 QYZLGIBAPYDEQX-UHFFFAOYSA-N 414.512 3.244 0 40 HGAB CN(C)S(=O)(=O)c1ccc(C(=O)Nc2cc(Cl)ccc2N2CCCC2)cc1 3446905 CTDWNXAJIFQXLO-UHFFFAOYSA-N 407.923 3.443 0 40 HGAB COc1ccccc1CNC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1 3615033 WSJVXRFVGPEKGQ-UHFFFAOYSA-N 410.495 3.450 0 40 HGAB Cc1ccn2cc(CCNS(=O)(=O)c3ccc(F)c(C(F)(F)F)c3)nc2c1 4248501 KWCCNVLHLXNSOG-UHFFFAOYSA-N 401.385 3.322 0 40 HGAB CCOc1ccccc1-n1c(SCC(=O)N2CCCC2)nnc1-c1cccnc1 4854955 MTZWHKXQJQGARS-UHFFFAOYSA-N 409.515 3.443 0 40 HGAB COc1cc(CNc2ccc(-c3nc4ncccc4o3)cc2)ccc1OCC(N)=O 4973792 ILFQNZCXYNTANZ-UHFFFAOYSA-N 404.426 3.375 0 40 HGAB O=C(COC(=O)c1ccccc1OCc1ccc(Cl)cc1)NC[C@H]1CCCO1 4979800 GBYNVCCXZOMNHV-QGZVFWFLSA-N 403.862 3.371 0 40 HGAB COc1ccc(OC)c(S(=O)(=O)Nc2ccc3c(c2)CCCN3C(=O)C2CC2)c1 5099551 BQZZWLBEHCZKBO-UHFFFAOYSA-N 416.499 3.194 0 40 HGAB Cc1ccccc1-n1c(S[C@@H](C)C(=O)NC(N)=O)nc2cc(Cl)ccc2c1=O 5212511 ZMDVVAGKMGGXQZ-NSHDSACASA-N 416.890 3.023 0 40 HGAB NC(=O)c1c(NC(=O)COC(=O)C23CC4CC(CC(C4)C2)C3)sc2c1CCCC2 6063773 UIPOEUABJHWSCI-UHFFFAOYSA-N 416.543 3.424 0 40 HGAB O=C(CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)Nc1cccc(F)c1 6218672 UTNOGDVZDXXHMG-UHFFFAOYSA-N 403.413 3.260 0 40 HGAB CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2nc(-c3ccccn3)cs2)c1 6919368 KKIFRJYCEDZVDR-UHFFFAOYSA-N 416.528 3.488 0 40 HGAB Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)c1C 7054821 DTIXPDLCHJTGCM-UHFFFAOYSA-N 410.561 3.408 0 40 HGAB CCc1cccc(NC(=O)CCCN(C)S(=O)(=O)c2ccc(C(C)=O)cc2)c1 7398601 FXPQEMOSKACABM-UHFFFAOYSA-N 402.516 3.491 0 40 HGAB CNC(=O)c1cccc(NC(=O)CSc2nc(C3CC3)n(-c3ccccc3)n2)c1 7692180 DMQYMSLXUBZGHB-UHFFFAOYSA-N 407.499 3.235 0 40 HGAB CCc1ccc(N2C[C@@H](C(=O)Oc3cccc(N4C(=O)CCCC4=O)c3)CC2=O)cc1 7928578 AZKYFNDXYMJFEA-KRWDZBQOSA-N 420.465 3.251 0 40 HGAB Cc1ccc(N2C[C@H](C(=O)OCC(=O)N[C@H](C)c3ccccc3)CC2=O)cc1Cl 7940058 LOAUWRQCTQLGGH-NVXWUHKLSA-N 414.889 3.422 0 40 HGAB CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)Nc2cccc(Cl)c2)c1 7990907 ARLKREUETWVUOF-UHFFFAOYSA-N 407.923 3.443 0 40 HGAB COc1cc(C(=O)NCC(=O)N(C)C)ccc1OCc1ccc(Cl)cc1Cl 8358969 UHNIZMBZBAAWKY-UHFFFAOYSA-N 411.285 3.399 0 40 HGAB COc1ccc(OC)c([C@H]2CCCN2C(=O)CSc2nnc(C3CC3)n2C)c1 8473853 ROVZYVRYLXRWNF-MRXNPFEDSA-N 402.520 3.166 0 40 HGAB COCCNC(=O)c1ccccc1NC(=O)C1CCN(Cc2cccc(C)c2)CC1 9062593 PUAYTXRVGCVMKJ-UHFFFAOYSA-N 409.530 3.222 0 40 HGAB CC(C)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1 9622917 LQRAGKDJIDLFCN-UHFFFAOYSA-N 406.529 3.160 0 40 HGAB O=S(=O)(Nc1cccc(S(=O)(=O)NC2CC2)c1)c1ccc(Cl)c(Cl)c1 10518227 LKZLRZMFNHMNHJ-UHFFFAOYSA-N 421.327 3.235 0 40 HGAB CCOc1ccc(C(=O)Nc2c(N)nc(SCc3ccc(F)cc3)[nH]c2=O)cc1 11340503 DHDNOYCPGZKKOX-UHFFFAOYSA-N 414.462 3.435 0 40 HGAB O=C(CSc1nnnn1C[C@H]1CCCO1)N(Cc1ccccc1)c1ccccc1 11576741 LPRLCYPQUGWUCP-LJQANCHMSA-N 409.515 3.178 0 40 HGAB Cc1cc(C)n(CCC(=O)N2CCC(c3nc(C)ncc3-c3ccncc3)CC2)n1 12088670 AOMKDXJCLHRPMO-UHFFFAOYSA-N 404.518 3.457 0 40 HGAB O=C(CSc1nnc(-c2cccs2)o1)N1CCN(c2ccc(F)cc2)CC1 12248873 PLZGQDGCROFZCI-UHFFFAOYSA-N 404.492 3.378 0 40 HGAB Cn1c(N2CCN(C(=O)C3CCCCC3)CC2)nc2sc3c(c2c1=O)CCCC3 12406590 SJBADHFUFWPSIK-UHFFFAOYSA-N 414.575 3.103 0 40 HGAB CC1CCN(CCCNC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)CC1 12521032 HTJWDXPMDIIVCQ-UHFFFAOYSA-N 415.559 3.339 0 40 HGAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1ccccc1-c1ncc(-c2ccc(F)cc2)o1 12552443 BYBNPMAAYHPLNV-OAHLLOKOSA-N 400.431 3.065 0 40 HGAB CN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1cccc(CN2C(=O)CNC2=O)c1 12751480 WLYOEPFFHPMAPC-UHFFFAOYSA-N 405.376 3.029 0 40 HGAB C[C@H]1C[C@@H](C)CN(c2nnc(SCC(=O)NC(C)(C)C)n2Cc2ccco2)C1 12758572 QGXBGLMZZKSMFO-GASCZTMLSA-N 405.568 3.409 0 40 HGAB O=C(CN1C(=O)COc2ccccc21)Nc1ncc(Cc2ccc(F)c(F)c2)s1 12946905 WDJVHWUMHCPKKZ-UHFFFAOYSA-N 415.421 3.376 0 40 HGAB C[C@H]1CCC[C@@H](C)N1C(=O)COC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O 13063289 GOUJFYXUTVJURZ-GASCZTMLSA-N 424.453 3.022 0 40 HGAB COc1cc2cc(CNc3ccc(N4CCC[C@H](O)C4)cc3)c(=O)[nH]c2cc1OC 13563066 RJILLQHVRKAGBD-IBGZPJMESA-N 409.486 3.119 0 40 HGAB CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cc(C)ccc2OC)ccc1OC 13581415 WMNJRSVURDAEDA-UHFFFAOYSA-N 406.504 3.295 0 40 HGAB COC(=O)c1c(NC(=O)c2cccc(NS(C)(=O)=O)c2)sc2c1CCCC2 13678443 ISICYZPYLDVBTM-UHFFFAOYSA-N 408.501 3.037 0 40 HGAB CCn1c(SCC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)nnc1C1CC1 14142101 GCRPTTHJSCLPPO-MRXNPFEDSA-N 414.531 3.402 0 40 HGAB COc1ccccc1CNC(=O)C[C@H]1CCCCN1S(=O)(=O)c1ccc(C)cc1 15390881 SISXYHLNFRDFCW-LJQANCHMSA-N 416.543 3.253 0 40 HGAB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1cc(Cl)c(O)c(Br)c1 16682517 COGMGUOOBZKMNM-NSHDSACASA-N 405.701 3.164 0 40 HGAB Cc1ccc(N2C(=O)N(CC(=O)N(CC(F)(F)F)[C@H](C)C3CC3)C(=O)[C@@H]2C)cc1 16695552 DPHPUGCCDUDLQR-KGLIPLIRSA-N 411.424 3.342 0 40 HGAB COc1ccc(NC(=O)C(=O)NCC2(c3ccccc3)CCOCC2)cc1Cl 16974445 OXUDPAONPDYSTG-UHFFFAOYSA-N 402.878 3.152 0 40 HGAB CC1(C)Cc2c(c(N3CCOCC3)nc3sc4c(O)[nH]c(=S)nc4c23)CO1 17196745 QMOHZYMGGDSCFX-UHFFFAOYSA-N 404.517 3.296 0 40 HGAB CC(=O)NC12C[C@H]3C[C@@H](C1)CC(C(=O)NCC(=O)Nc1c(C)cc(C)cc1C)(C3)C2 17960554 VRUIEHZVXAQUHS-LHHMWQFHSA-N 411.546 3.142 0 40 HGAB Cc1cc(-c2cnc(N(C)C)nc2[C@@H]2CCCN2C(=O)CCc2c(C)noc2C)on1 19122310 QOVNEYMPSKKPGJ-SFHVURJKSA-N 424.505 3.407 0 40 HGAB Cc1ccccc1-c1cccc(C[C@@H]2CN(C(=O)Cc3cccnc3)CCNC2=O)c1 19237466 GEPIHYALZATJHT-HSZRJFAPSA-N 413.521 3.417 0 40 HGAB CCOC(=O)[C@@H]1C(=O)N(CCCOC)c2nc3ccccc3n2[C@@H]1[C@H]1CC=CCC1 19818487 LXQLQHPRFBRXQO-FFZOFVMBSA-N 411.502 3.496 0 40 HGAB O=C(NCCNC(=O)c1cc(Cl)ccc1Cl)c1nc(-c2ccccc2F)no1 21453953 OXOSWTAUWUKMOO-UHFFFAOYSA-N 423.231 3.342 0 40 HGAB CCOc1ccc(N(CC(=O)NCCCc2ccccc2Cl)S(C)(=O)=O)cc1 22333164 AZBIAYKAWYYPDB-UHFFFAOYSA-N 424.950 3.254 0 40 HGAB CCOc1cccc(N(CC(=O)N[C@@H](C)c2ccc(C)c(C)c2)S(C)(=O)=O)c1 22427292 VWDLBZIGSKGXIC-KRWDZBQOSA-N 404.532 3.346 0 40 HGAB CCn1ccc(C(=O)N(CCN2CCOCC2)c2nc3cc(C)c(C)cc3s2)n1 23128297 RCBHFZCBJCUMMC-UHFFFAOYSA-N 413.547 3.109 0 40 HGAB O=C(Cc1cc(O)nc(SCc2cccc(Cl)c2)n1)NCc1ccccn1 23138226 WOKSCKDEAXPRGE-UHFFFAOYSA-N 400.891 3.382 0 40 HGAB Cc1ccc(CSCCNC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)cc1 24571172 ZTKDHQOAWFWORU-KRWDZBQOSA-N 412.511 3.126 0 40 HGAB CC(C)(C)C(=O)Nc1cccc(NS(=O)(=O)c2ccc(CCC(=O)O)cc2)c1 25473695 YYTUTJNOEBOSJF-UHFFFAOYSA-N 404.488 3.489 0 40 HGAB CCOCCCNS(=O)(=O)c1ccc(SC)c(C(=O)N2CCCCCC2)c1 26120360 NPBFYJMQDIFNBY-UHFFFAOYSA-N 414.593 3.130 0 40 HGAB CN(Cc1nc(-c2cccs2)no1)S(=O)(=O)c1ccc(Br)cc1 28188688 QNYWDAUJAHMJRH-UHFFFAOYSA-N 414.306 3.381 0 40 HGAB CCOC(=O)CSc1nnc(NC(=O)c2cc(C)nc3cc(F)ccc23)s1 29020922 NQTXLURJQAXZHI-UHFFFAOYSA-N 406.464 3.441 0 40 HGAB O=C(CCNS(=O)(=O)c1ccc2c(c1)CCCC2)Nc1nc2c(s1)CCCC2 30769826 IICPHPPVRIBGCI-UHFFFAOYSA-N 419.572 3.208 0 40 HGAB COC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCSC[C@H]1c1ccc(OC)cc1 32088985 HDHNHIPLJOMNJX-PMACEKPBSA-N 414.527 3.279 0 40 HGAB Cc1csc(=O)n1CCCC(=O)OCC(=O)NC(c1ccccc1)c1ccccc1 32741801 SWDAEWOHLZNNEQ-UHFFFAOYSA-N 424.522 3.447 0 40 HGAB CCCC1(CCC)NC(=O)N(CC(=O)N[C@@H](C)c2ccc(OC(F)F)cc2)C1=O 32764626 DXKUCOSRLICWAP-ZDUSSCGKSA-N 411.449 3.356 0 40 HGAB Cc1ccccc1[C@H](CC(=O)NCc1c(C)nn(-c2ccccc2)c1C)NC(N)=O 32796360 QOWYKPQFYIYHQJ-NRFANRHFSA-N 405.502 3.213 0 40 HGAB CC(C)CCC[C@H](C)NS(=O)(=O)c1cc2c(cc1Br)NC(=O)CO2 32825591 IVHJJOSWVQBGQV-NSHDSACASA-N 419.341 3.273 0 40 HGAB C[C@H]1CCCCN1Cc1ccc(-c2nnn(CC(=O)NCc3ccc(F)cc3)n2)cc1 35290077 IHROPXHBNVHJGQ-KRWDZBQOSA-N 422.508 3.170 0 40 HGAB O=C(c1cc(-c2cccnc2)on1)N1CCN(Cc2c(F)cccc2Cl)CC1 40143838 LABGOWXTADOVSK-UHFFFAOYSA-N 400.841 3.487 0 40 HGAB CC(=O)Nc1ccc(OC(=O)[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2)cc1 42679286 RJYXTBUEVLUVSC-CYBMUJFWSA-N 417.259 3.366 0 40 HGAB C[C@H]1CN(c2ccc(NC(=O)CCn3c(=O)oc4ccccc43)cc2F)C[C@H](C)O1 46069537 ATNPPPXNXJMKFP-GJZGRUSLSA-N 413.449 3.376 0 40 HGAB COc1ccc([C@H]2CCCCCN2C(=O)CCCN2C(=O)NC(C)(C)C2=O)cc1 48310718 DZWLGYIEUZUCND-GOSISDBHSA-N 401.507 3.250 0 40 HGAB Cc1cccc(C)c1NC(=O)Cn1nc(N2CCSCC2)c2ccccc2c1=O 49007248 BABZVUWJWZMNDC-UHFFFAOYSA-N 408.527 3.205 0 40 HGAB Cc1ccc(C)c(-c2cc3c(=O)n(CC(=O)NCc4ccccc4Cl)ncn3n2)c1 51317110 HXROVXNEUQQINQ-UHFFFAOYSA-N 421.888 3.145 0 40 HGAB Cc1cc(NC(=O)CSc2nc3ccccc3c(=O)n2Cc2ccc(F)cc2)[nH]n1 51357639 YRMQNOZQFNHFSX-UHFFFAOYSA-N 423.473 3.346 0 40 HGAB O=C(CN1CCC(C(=O)NC2CC2)CC1)N[C@H](c1ccc(F)cc1)C1CCCC1 55911928 RARMVJWIORODAB-QFIPXVFZSA-N 401.526 3.164 0 40 HGAB O=C(Nc1cccc(N2CCN(CC3CC3)CC2)c1)[C@H]1CC(=O)N(c2ccccc2)C1 56479466 GAAOUYSITZOJOK-FQEVSTJZSA-N 418.541 3.210 0 40 HGAB CCCN1CCc2nc(NC(=O)c3cccc(S(=O)(=O)C(C)C)c3)sc2C1 56928530 ACYGHXDJEAGHNF-UHFFFAOYSA-N 407.561 3.346 0 40 HGAB O=C(Cn1c(=O)n(-c2ccccc2)c(=O)c2sccc21)Nc1ccc2c(c1)CCC2 57428948 REWPHANSFFEEJM-UHFFFAOYSA-N 417.490 3.341 0 40 HGAB COc1ccc(NC(=O)Cn2cnc3c(cnn3-c3ccc(C(C)C)cc3)c2=O)cc1 57486492 PHNYBWZISZTSRB-UHFFFAOYSA-N 417.469 3.353 0 40 HGAB CC[C@@H]1CCCCN1C(=O)Cn1c(=O)n(-c2ccccc2C)c(=O)c2sccc21 57489666 JYGYEHJTEJDFMC-MRXNPFEDSA-N 411.527 3.313 0 40 HGAB O=C(NCCNC(=O)c1n[nH]c2ccccc12)c1cc2c(s1)-c1ccccc1OC2 58179398 BSOMTSXPSKHWRE-UHFFFAOYSA-N 418.478 3.344 0 40 HGAB Cn1ccnc1Sc1ccccc1NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2 58324590 SAKSTSYAANYNDY-UHFFFAOYSA-N 414.512 3.257 0 40 HGAB C[C@H]1NC(C(=O)Nc2ccc(N(C)C)cc2C(F)(F)F)=NN(c2ccccc2)C1=O 59576310 IMLMQDPRSJQHOP-GFCCVEGCSA-N 419.407 3.048 0 40 HGAB COc1c(C)c2c(c(OC)c1C/C=C(\C)CCC(=O)NC[C@H]1CCCO1)C(=O)OC2 62001685 AUBBNHRLFNDEJS-SNQWNFELSA-N 417.502 3.247 0 40 HGAB biogenic CCn1c(C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2O)cc2ccccc21 72003502 LGVWWQCUVVAVIS-UHFFFAOYSA-N 413.499 3.404 0 40 HGAB Cc1ccc(C)c(S(=O)(=O)NCCC(=O)N2CCCC[C@@H]2c2cccn2C)c1 72309336 XHQWOMOQNOXVJI-LJQANCHMSA-N 403.548 3.064 0 40 HGAB O=C1N[C@]2(COC3(CCN(CC4=Cc5ccccc5OC4)CC3)C2)Nc2ccccc21 72325446 SGJGSQYOISOLHA-RUZDIDTESA-N 417.509 3.269 0 40 HGAB CN(CCCNC(=O)CN(C[C@@H]1CCCO1)C(=O)OC(C)(C)C)c1ccccc1 78878013 OCOGFBCIQGVOLP-IBGZPJMESA-N 405.539 3.045 0 40 HGAB CC(C)Cn1ccnc1NC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O 89856784 IVIYBXWWACATJN-UHFFFAOYSA-N 409.467 3.169 0 40 HGAB O=C(NC[C@@H](O)C(=O)OCc1ccccc1)[C@H]1C[C@@H]1c1cccc(Cl)c1Cl 95458577 LWWWWOHQXCCRDT-HLLBOEOZSA-N 408.281 3.317 0 40 HGAB COC(=O)c1nc(NC(=O)c2cc(-c3c(C)nn(C)c3C)n[nH]2)sc1C(C)C 95480146 HUDFAIMSKOLPAV-UHFFFAOYSA-N 402.480 3.046 0 40 HGAB Cc1occc1C(=O)N1CCC2(CC1)C[C@@H](CC(=O)NCCN(C)C)c1ccccc12 96052886 CCMDCFFJJVMETI-LJQANCHMSA-N 423.557 3.317 0 40 HGAB O=C(Nc1ccc2c(c1)OCO2)[C@H]1C[C@@]12CCN(C(=O)NCc1cccc(F)c1)C2 96075123 ZFACLROXHNIPQG-VGOFRKELSA-N 411.433 3.115 0 40 HGAB CC[C@]1(c2ccc(NC(=O)c3ncc(Br)s3)cc2)CCC(=O)NC1=O 97105667 MHBQCAUHSFZCEC-QGZVFWFLSA-N 422.304 3.242 0 40 HGAB Cc1cc(NCN2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@@H]3C2=O)cc(C)c1Br 100395561 ADAGSCDZPVUSQZ-NEMWNAMBSA-N 401.304 3.488 0 40 HGAB COC(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccc(Cl)cc1 113877433 DGDCPYLYUNYUDP-UHFFFAOYSA-N 418.696 3.471 0 40 HGAB Cc1c(C(=O)Nc2cnn(C[C@@H]3COc4ccccc4O3)c2)cnn1-c1ccccc1 207997496 SHVZEDBENXNXRV-LJQANCHMSA-N 415.453 3.470 0 40 HGAB CSc1cccc(N(CC(=O)N[C@H](C)COc2ccc(C)cc2)S(C)(=O)=O)c1 220075084 XMXHEOYTLRAGHI-MRXNPFEDSA-N 422.572 3.067 0 40 HGAB CCOC(=O)CN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccc(NC(C)=O)cc1 224895967 ITGMJJCTSVAYPN-UHFFFAOYSA-N 424.906 3.365 0 40 HGAB COc1ccccc1[C@@H](C)NC(=O)CN(c1c(C)cc(C)cc1C)S(C)(=O)=O 225116464 BQJZGDZQYWUIIE-QGZVFWFLSA-N 404.532 3.264 0 40 HGAB COc1cccc2cc(C(=O)N3CCN(c4cc(C(F)(F)F)ncn4)CC3)oc12 225727579 SWXKNAJMGADCQK-UHFFFAOYSA-N 406.364 3.213 0 40 HGAB O=C(c1nc2ccccc2s1)N1CCC(n2c(O)nc3ccccc3c2=O)CC1 253537715 OWMIZHXDEUFUHO-UHFFFAOYSA-N 406.467 3.189 0 40 HGAB Cc1nc([C@H]2CCN(C(=O)C(C)C)C2)nc(C)c1CC(=O)NCc1ccc(F)cc1 257219437 DGTNNGXXWKLVMF-SFHVURJKSA-N 412.509 3.063 0 40 HGAB COc1ccccc1CCNC(=O)[C@H]1C[C@H]2CC[C@H]1C[C@@]21NC(=O)c2ccccc2N1 257336479 YOQTVNUMHCYTED-KHVVASAOSA-N 419.525 3.342 0 40 HGAB Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC(C)CC2)cc1 408598091 ZRNLBGZZKVWQEN-NRFANRHFSA-N 400.544 3.143 0 40 HGAB COc1cccc(C(=O)N2CCN([C@@H](CCC(=O)O)c3ccc(F)cc3)CC2)c1 408607342 LDKXSLLTGGFQHG-FQEVSTJZSA-N 400.450 3.198 0 40 HGAB O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H](CO)CC1CCCC1)c1cccs1 513931991 QBBNJJVKMDZLKZ-OALUTQOASA-N 400.544 3.147 0 40 HGAB Cc1ccc(CNc2ccc3oc(=O)n(CCN(C)C)c3c2)c(-c2ccnn2C)c1 548980860 NGRAPHSUOSJLFZ-UHFFFAOYSA-N 405.502 3.477 0 40 HGAB O=C1CN(C2CCN(Cc3cccc(C(F)(F)F)c3)CC2)C(=O)N1CC(F)(F)F 585148553 ZUYRCAISQKPEMO-UHFFFAOYSA-N 423.357 3.496 0 40 HGAB O[C@H]1CN(Cc2ccc(OCCn3cccn3)cc2)C[C@@H]1Oc1cccc(Cl)c1 585268811 IZZDRNFIWZPWOQ-VXKWHMMOSA-N 413.905 3.240 0 40 HGAB CC(C)N1[C@H]2CC[C@@H]1CCNc1ccccc1CN(C(=O)CCCn1cncn1)C2 643576284 TXKVORCDBMGERL-RTWAWAEBSA-N 410.566 3.144 0 40 HGAB O=C(c1ccc(F)cc1)N1CCN(S(=O)(=O)CC[C@H]2CCc3ccccc32)CC1 1653546187 YCVAKSHOBMVKOJ-GOSISDBHSA-N 416.518 3.033 0 40 HGAB O=C(CSc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1)Nc1ccc(F)cc1 933493 GILGGYIQZGPUFD-INIZCTEOSA-N 413.474 3.445 0 40 HGAB O=c1c([C@@H]2NCCc3c2[nH]c2ccccc32)c(O)nc(S)n1Cc1ccc(F)cc1 1318994 ZJHUDWNYBZVQFU-IBGZPJMESA-N 422.485 3.141 0 40 HGAB biogenic CC(C)[C@H](OC(=O)c1ccc2c(c1)NC(=O)C(C)(C)O2)C(=O)NC1CCCCC1 1346691 GKEAASDOWJSGIH-SFHVURJKSA-N 402.491 3.426 0 40 HGAB Cc1cc(O[C@H](C)C(=O)N[C@@H](CC(C)C)C(=O)O)c2c3c(c(=O)oc2c1)CCCC3 2115247 URQIILWNBLGRRJ-PBHICJAKSA-N 415.486 3.363 0 40 HGAB biogenic COc1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@@H]2c2cccc(F)c2)c(OC)c1 2235984 LDLDGBVDPDCDKF-LJQANCHMSA-N 409.421 3.362 0 40 HGAB Cc1ccc2[nH]c3c(N4CCN(Cc5ccc6c(c5)OCO6)CC4)ncnc3c2c1 2277132 BBBWTSWRVUCTEN-UHFFFAOYSA-N 401.470 3.470 0 40 HGAB O=C(CSc1nnc(C2CC2)n1-c1ccccc1)NCc1ccc2c(c1)OCO2 2620719 NKDYBALAJAIOIN-UHFFFAOYSA-N 408.483 3.282 0 40 HGAB CCOC(=O)c1ccc(NC(=S)N/N=c2/c(=O)c3cccc4cccc2c43)cc1 3238283 KZTHPGMNWRSWPI-LYBHJNIJSA-N 403.463 3.208 0 40 HGAB CCCOc1ccc(NC(=O)C2=CC(=O)N3CCN=C3S2)cc1Br 3653487 JWARTQIFYDTMFA-UHFFFAOYSA-N 410.293 3.005 0 40 HGAB CCN1C(=O)[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccc4c(c3)OCO4)N2C1=S 4026823 XNVVWACSNFHGPK-OXJNMPFZSA-N 405.479 3.360 0 40 HGAB biogenic CCOC(=O)c1c(SCC(=O)Nc2ccccc2C(F)(F)F)nc(=O)[nH]c1C 4317579 FANZVGZMPDICJS-UHFFFAOYSA-N 415.393 3.005 0 40 HGAB O=C(c1ccccc1)[C@H]1[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=NN21 4542483 XNLQKYRVCMBHDH-MYDTUXCISA-N 421.456 3.448 0 40 HGAB Cc1cccc(C)c1N1CCN(S(=O)(=O)C[C@]23CC[C@H](CC2=O)C3(C)C)CC1 4973658 AESDDWZZXFHKGZ-XMSQKQJNSA-N 404.576 3.151 0 40 HGAB O=C(CSc1nnnn1-c1cccc2ccccc12)Nc1ccc(C(=O)O)cc1 5015419 OECSXHPKSZVVJL-UHFFFAOYSA-N 405.439 3.245 0 40 HGAB COC(=O)c1c(NC(=O)CS(=O)(=O)c2ccc(C)cc2)sc2c1CCCC2 5188708 BDVUCZOOAOAGJY-UHFFFAOYSA-N 407.513 3.134 0 40 HGAB aggregator Cc1nc(Cc2nnc(S[C@@H](C)C(=O)Nc3ccc4c(c3)OCO4)o2)cs1 5833325 XGQNMSLZYWSFEW-VIFPVBQESA-N 404.473 3.273 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(C)c(C)c2)c1 6316589 IIOHKBPTGNKVLH-UHFFFAOYSA-N 410.561 3.443 0 40 HGAB CCOC(=O)CN(C(=O)CSc1nnc(-c2ccco2)o1)c1ccc(F)cc1 6549461 KGRYZGDKGYMQGH-UHFFFAOYSA-N 405.407 3.157 0 40 HGAB Cc1ccc(C(=O)O)cc1NC(=O)c1cc(S(=O)(=O)N2CCCCC2)cs1 6680499 STBBLRRDVVSHKG-UHFFFAOYSA-N 408.501 3.182 0 40 HGAB C[C@H](Sc1nnc(-c2ccccc2F)n1C)C(=O)NCc1ccc2c(c1)OCO2 7235758 FDUNLZDWKVHCMY-LBPRGKRZSA-N 414.462 3.147 0 40 HGAB CCOC(=O)c1c(C)oc2ncn(CC(=O)N(C)[C@@H]3CCCc4ccccc43)c(=O)c12 7554261 QRCUNLRGRJUEII-QGZVFWFLSA-N 423.469 3.011 0 40 HGAB Cc1nc2nc(N)nn2c(C)c1CCC(=O)NC(c1ccccc1)c1ccccc1 8061146 XLOHLRLAOYUELW-UHFFFAOYSA-N 400.486 3.162 0 40 HGAB COc1ccc(C(=O)N[C@@H](C)c2cc3ccccc3o2)cc1S(=O)(=O)NC1CC1 8133099 IXOYLVJSXHXUOZ-ZDUSSCGKSA-N 414.483 3.373 0 40 HGAB CCc1ccccc1NC(=O)CN(C)C(=O)CCn1c(=O)oc2cc(Cl)ccc21 8249823 XPHUYQCWZCHCJO-UHFFFAOYSA-N 415.877 3.298 0 40 HGAB CCCN1C(=O)CCc2cc(NS(=O)(=O)c3ccc(NC(C)=O)cc3C)ccc21 8840588 LFYNAEIZJJFDTF-UHFFFAOYSA-N 415.515 3.443 0 40 HGAB O=C1NC(=O)[C@H]2[C@H]1[C@H]1c3ccccc3C=CN1[C@H]2C(=O)c1ccc(Cl)cc1Cl 8969806 YJWRXRFXIWIHSC-WNRNVDISSA-N 413.260 3.475 0 40 HGAB Cc1ccc(N2C[C@H](CNS(=O)(=O)c3cccc(C(F)(F)F)c3)CC2=O)cc1 9037098 CXVBOXLJYWQGKJ-AWEZNQCLSA-N 412.433 3.345 0 40 HGAB O=C(NC(=S)Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccc(F)cc1 9138562 KGLPYRYZBLJSJU-UHFFFAOYSA-N 421.519 3.127 0 40 HGAB CCOc1ccc([C@H]2Nn3c(C)nnc3S[C@H]2C(=O)NCc2ccccc2)cc1 9239009 LRDWCRGANODPNO-RTBURBONSA-N 409.515 3.061 0 40 HGAB COc1ccc(-c2nc(NC(=O)CSc3nc(C)cc(=O)[nH]3)sc2C)cc1 9704221 VIWUMQQVSTVSRX-UHFFFAOYSA-N 402.501 3.250 0 40 HGAB CC(C)c1cc(C(=O)N2CCC[C@H](c3nc4ccc(F)cc4cc3C(N)=O)C2)[nH]n1 12088384 WMBTVTOVCXOSPN-ZDUSSCGKSA-N 409.465 3.339 0 40 HGAB C[C@H](Sc1nc(CCC2CCCC2)n[nH]1)C(=O)NCc1ccc2c(c1)OCO2 12104713 LELJFVXMNLILBS-ZDUSSCGKSA-N 402.520 3.453 0 40 HGAB COc1ccc(OC)c2sc(N(CCCN(C)C)C(=O)c3cc(C)on3)nc12 12229567 VQSZTDDOJUCXND-UHFFFAOYSA-N 404.492 3.208 0 40 HGAB CN(Cc1ccc(C(=O)NC2CC2)cc1)S(=O)(=O)c1ccc(C(F)(F)F)cc1 12795039 LXMSECKSQOJPJE-UHFFFAOYSA-N 412.433 3.418 0 40 HGAB CCN(C(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1)c1ccccc1 12807967 AGBZIRYECVROEZ-UHFFFAOYSA-N 418.423 3.413 0 40 HGAB C[C@H](NC(=O)c1ccc(CCNS(C)(=O)=O)cc1)c1ccc2c(c1)CCCC2 12882327 DOZLHJOAFVRUSM-INIZCTEOSA-N 400.544 3.148 0 40 HGAB C[C@@H](OC(=O)c1ccc(Cl)c(S(C)(=O)=O)c1)C(=O)N1CCCc2ccccc21 12953658 WDCKACJCDOWBTP-CYBMUJFWSA-N 421.902 3.268 0 40 HGAB COc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1NC(=O)c1cccc(Cl)c1 13566417 OIDJCCDMSJWNPS-OAHLLOKOSA-N 424.906 3.058 0 40 HGAB Cc1ccc(NC(=O)Cn2c(=O)n(Cc3ccco3)c(=O)c3ccccc32)cc1Cl 13992250 KACKZLFAZGBAEG-UHFFFAOYSA-N 423.856 3.405 0 40 HGAB CN(CCCNC(=O)COc1ccc(I)cc1)c1ccccc1 14597737 ITPTWKPRTYQGAJ-UHFFFAOYSA-N 424.282 3.313 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(C(=O)NCc2coc(-c3cccs3)n2)cc1 14710703 MBHJFWJFQIBHMY-UHFFFAOYSA-N 419.528 3.364 0 40 HGAB C[C@@H](Oc1ccccc1F)C(=O)N1CCC[C@@H]([C@@H]2C[C@H](C(F)F)n3ncnc3N2)C1 19078303 YHXIIMTXBUUORZ-LUYZLQTOSA-N 423.439 3.114 0 40 HGAB Cn1cc(CCC(=O)N2CCO[C@H](c3nc(-c4ccccn4)no3)C2)c2ccccc21 19290419 GCZJIMSOWAMUTR-FQEVSTJZSA-N 417.469 3.156 0 40 HGAB C[C@H]1CCCN(CCC(=O)N2C[C@@H](c3ccc(F)c(F)c3)[C@@]3(CCCC(=O)N3)C2)C1 19496559 VKRCUIRKCUECQX-TXBYWVTISA-N 419.516 3.052 0 40 HGAB CNC(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CN(C(=O)c2ccccn2)CCO1 19591871 IVTLZJUMYBYJGZ-QHCPKHFHSA-N 421.522 3.010 0 40 HGAB Cc1nc(-c2ccc(CNC(=O)[C@@H](C)n3ccnc3C(C)C)cc2)ccc1C(N)=O 19700594 IQPZFVFVPUNTFY-MRXNPFEDSA-N 405.502 3.353 0 40 HGAB Cn1cnc2ccc(NC(=O)[C@H]3CC(=O)N(CCc4c[nH]c5ccccc45)C3)cc21 19718160 ILDLILCNNDQBQA-INIZCTEOSA-N 401.470 3.084 0 40 HGAB CN(Cc1ccc2ncccc2c1)C(=O)Cn1cc(NC(=O)c2ccc(F)cc2)cn1 19749804 JVBCSCBXLHNLJW-UHFFFAOYSA-N 417.444 3.481 0 40 HGAB CCS(=O)(=O)Nc1ccc(C(=O)Nc2sc3c(c2C(=O)OC)CCCC3)cc1 19886503 HBQJOUVYSZHLKL-UHFFFAOYSA-N 422.528 3.427 0 40 HGAB CCOC(=O)c1cc(NC(=O)CN(c2ccc(C)cc2)S(C)(=O)=O)ccc1Cl 20110633 DYZILFWQVQMPQT-UHFFFAOYSA-N 424.906 3.230 0 40 HGAB CCN(CC)CCNC(=O)/C(=C\c1cccc(Br)c1)n1ccccc1=O 20169582 XSZIFZZYDSHLJU-OBGWFSINSA-N 418.335 3.067 0 40 HGAB Cc1ccccc1-n1c(S[C@@H](C)C(=O)NC[C@@H]2CCCO2)nnc1-c1ccncc1 21353069 RZTDLJNDYZMPMT-WMZOPIPTSA-N 423.542 3.414 0 40 HGAB c1ccc(-n2ncc3c(NCc4ccc(CN5CCOCC5)cc4)ncnc32)cc1 24528298 ARAVLSKSAISLSD-UHFFFAOYSA-N 400.486 3.260 0 40 HGAB CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)CCCNC(=O)C(C)(C)C 24861250 GLNDAKUQZKCNCG-UHFFFAOYSA-N 402.322 3.333 0 40 HGAB COc1ccc(S(=O)(=O)N(C)CCCC(=O)N(C)Cc2ccccc2Cl)cc1 25517910 GFQRXINCQVLLQH-UHFFFAOYSA-N 424.950 3.408 0 40 HGAB CC(=O)c1cccc(NC(=O)C[C@@H](NC(N)=O)c2ccc(Br)cc2)c1 32796242 QDCQOLGSRKOJGW-MRXNPFEDSA-N 404.264 3.390 0 40 HGAB CCN1C[C@H](CN(C)C(=O)NCCc2ccc(OC)c(OC)c2)Oc2ccccc21 32843780 MRUVEALYFOHVTH-SFHVURJKSA-N 413.518 3.175 0 40 HGAB Cc1ccc(C)c(NC(=O)[C@H](C)N2CCC(NS(=O)(=O)c3cccs3)CC2)c1 32865333 HFCXTDIVFCPQGA-INIZCTEOSA-N 421.588 3.135 0 40 HGAB CNC(=O)[C@@H](N)Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1 38797800 SURIMOCYPMTPNV-DEOSSOPVSA-N 410.521 3.339 0 40 HGAB in-vitro Cc1cc(C(=O)COC(=O)c2ccc(N3CCCS3(=O)=O)cc2)c(C)c(C)c1C 39533130 WATIBMYMFNCYQZ-UHFFFAOYSA-N 415.511 3.500 0 40 HGAB Cc1cc(C)n2nc(CC(=O)NCCc3ccc(-c4csc(C)n4)cc3)nc2n1 40131911 QAVAFEQMEZTRCQ-UHFFFAOYSA-N 406.515 3.074 0 40 HGAB O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)Nc1ccccc1C(=O)O 44791713 QQOVNKPCQCYKKK-UHFFFAOYSA-N 410.451 3.219 0 40 HGAB CC[C@@H](Oc1ccc(F)cc1)C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 44849044 SGECUMNZFVIZJR-LJQANCHMSA-N 400.450 3.056 0 40 HGAB CN(C)[C@@H](CNS(=O)(=O)c1ccccc1Br)c1cccc(F)c1 47032808 WVZUAHJZSVLOKI-HNNXBMFYSA-N 401.301 3.169 0 40 HGAB Cc1ccc(O[C@H](C)C(=O)Nc2ccc(N3CCOCC3)nc2)c(Br)c1 48333948 BFYJLNCPTBUWLE-CQSZACIVSA-N 420.307 3.395 0 40 HGAB O=C(CCN1CCN(CC(F)(F)F)CC1)NC(c1ccccc1)c1ccccc1 48342327 KBBSQLNJZPQXKD-UHFFFAOYSA-N 405.464 3.462 0 40 HGAB COc1ccccc1N1CCN(CC(=O)Nc2ccc(OC(F)(F)F)cc2)C1=O 49026331 YDRJADPQFUHWKX-UHFFFAOYSA-N 409.364 3.475 0 40 HGAB O=C(Cn1nc(-c2ccc(Br)cc2)ccc1=O)NC[C@@H]1C[C@@H]2C=C[C@H]1C2 49544203 MICFIKJFOXBJPF-KBMXLJTQSA-N 414.303 3.001 0 40 HGAB C[C@@]12CCC(=O)N1[C@@H](C(=O)Nc1ccc(C(=O)N3CCCCCC3)cc1)CS2 55741608 UDRWPQGBANLPGL-DYESRHJHSA-N 401.532 3.095 0 40 HGAB CCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2c(C)cc(Br)cc2C)C1 58527334 JLPKPFIDFHPBBP-CYBMUJFWSA-N 403.342 3.066 0 40 HGAB Cc1ccc(Sc2nccn3c(=O)n(CC(=O)Nc4ccccc4F)nc23)c(C)c1 67255622 QYXSTERZTNTXEN-UHFFFAOYSA-N 423.473 3.437 0 40 HGAB COc1ccccc1OCCN1C(=O)[C@@](O)(CC(=O)c2ccco2)c2ccccc21 68713377 KPNKOOXJIVXMFS-HSZRJFAPSA-N 407.422 3.174 0 40 HGAB CCS(=O)(=O)N1CCC[C@H]1c1nc(C)c2c(n1)N(Cc1ccc(F)cc1)CCC2 72373813 ASGJDBFVYHYGTH-IBGZPJMESA-N 418.538 3.364 0 40 HGAB COc1cc(NC2=NC(=O)S/C2=C\c2cccc(OCC(N)=O)c2)cc(OC)c1 72400615 XIGXEUXWMVNOLG-IDUWFGFVSA-N 413.455 3.286 0 40 HGAB CC(C)C[C@@H](C(=O)NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCCCC1=O 79071647 LFMRRVNBTMMUES-HNNXBMFYSA-N 416.400 3.484 0 40 HGAB CC(C)Cn1nc(CC(=O)NCCc2c[nH]c3ccccc23)c2ccccc2c1=O 85877192 MHNWMTJSYYEGLM-UHFFFAOYSA-N 402.498 3.435 0 40 HGAB biogenic CC(C)Sc1ccc(CC(=O)N2CCCSC[C@H]2CN2CCOCC2)cc1 90609152 WLFYSNDLIZPGNQ-LJQANCHMSA-N 408.633 3.396 0 40 HGAB O=C(CC12CC3CC(CC(C3)C1)C2)NCC(=O)N1C[C@H](O)C[C@H]1c1ccc(F)cc1 95455871 LCIMDQYPDFANBO-VNBGCHOJSA-N 414.521 3.183 0 40 HGAB C[C@H]1C[C@H](CNC(=O)c2cccc(S(=O)(=O)Nc3ccc(F)cc3)c2)CCO1 95457889 MZDQYVCWXVVXEI-LSDHHAIUSA-N 406.479 3.171 0 40 HGAB COc1cc(NC(=O)[C@H]2[C@@H](C(=O)O)[C@@H]3C=C[C@H]2[C@H]2C[C@H]32)c(OC)cc1Br 102093510 HNOWGZJYQOAROQ-WENXKWCGSA-N 422.275 3.174 0 40 HGAB CC[C@H](C(=O)NCc1cccc(OC(C)C)c1)N(c1ccccc1F)S(C)(=O)=O 113968414 ZLLXRQDILXWSGH-LJQANCHMSA-N 422.522 3.474 0 40 HGAB CCOC(=O)c1cccc(NC(=O)c2cccc(N(C)S(C)(=O)=O)c2C)c1C 222438973 DGAFFLGQEHWQJF-UHFFFAOYSA-N 404.488 3.128 0 40 HGAB COc1ccc(N(CCCC(=O)Nc2cccc(C(C)=O)c2)S(C)(=O)=O)cc1 222602934 HBEHUQMIBQGVAK-UHFFFAOYSA-N 404.488 3.083 0 40 HGAB CN(C)CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1Cc1ccccn1 223240597 UIMDSFULHUEBFI-FCHUYYIVSA-N 420.586 3.251 0 40 HGAB C[C@@H](C(=O)NCCOc1ccccc1C(C)(C)C)N(c1ccccc1)S(C)(=O)=O 223680866 ARNKYPGMJZCMMM-KRWDZBQOSA-N 418.559 3.334 0 40 HGAB CCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CCc1ccc2c(c1)OCCO2 224628256 VUUMTMREBIHAJA-NRFANRHFSA-N 424.541 3.376 0 40 HGAB CCCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)COc1ccc(OC)cc1 225423364 ZHJPOIOQCONVFT-JOCHJYFZSA-N 412.530 3.450 0 40 HGAB CCCOc1ccccc1CCCNS(=O)(=O)c1ccc2c(c1)sc(=O)n2C 225681105 GZNSIFDCIGOTIH-UHFFFAOYSA-N 420.556 3.300 0 40 HGAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)N(C)c2ccc(OC)cc2)cc1C 226065511 DLDDLZRCMPTDTC-UHFFFAOYSA-N 420.531 3.076 0 40 HGAB Cc1cccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4[C@H](C)CCC[C@H]4C)nc(O)c32)c1 253560997 BNRHNBQNTNTPIL-IIAWOOMASA-N 409.490 3.322 0 40 HGAB COc1cccc(Nc2cc(C)nc([C@@H]3CCCN(CC(=O)N4CCCC4=O)C3)c2)c1 257305682 SRAKYJMOUAZRQF-GOSISDBHSA-N 422.529 3.471 0 40 HGAB COCCN1CC[C@]2(CN(Cc3sccc3C)C[C@H]2c2cn(C(C)C)cn2)C1=O 306136874 QFJZHKJMBUTWRL-PGRDOPGGSA-N 416.591 3.298 0 40 HGAB CC(C)CN1CC[C@@H](NC(=O)NCc2ccccc2)c2ccccc2S1(=O)=O 306141439 VWEPBWXHHYBDRB-LJQANCHMSA-N 401.532 3.278 0 40 HGAB CC(C)CN1CCC2(CC1)CN(CC1CCCC1)S(=O)(=O)c1cccnc1O2 306141820 WHGDCDPVPUZUTG-UHFFFAOYSA-N 407.580 3.146 0 40 HGAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)NCc2ccc(C)cc2)cc1Cl 408594817 PJDOBBQLXKIAPW-CQSZACIVSA-N 410.923 3.030 0 40 HGAB COc1ccc(CNC(=O)c2ccccc2NC(=O)C(=O)N[C@H]2CCCC[C@H]2C)cc1 408709518 CFSWJIHUBRBPTA-UZLBHIALSA-N 423.513 3.259 0 40 HGAB COC(=O)c1ccc(/C=C2\SC(=O)N(CC(=O)NCc3ccc(C)cc3)C2=O)cc1 409215142 XHNHVKPXIKNWIK-WQRHYEAKSA-N 424.478 3.134 0 40 HGAB CS(=O)(=O)c1ccc(N2CCC(c3nncn3C3CC3)CC2)c(C(F)(F)F)c1 553442641 UJVFMKHMHDHEGH-UHFFFAOYSA-N 414.453 3.419 0 40 HGAB COc1cc(OC)nc(N2CCC[C@@]3(CCC(=O)N3Cc3ccc(C)cc3)CC2)n1 585100036 CWAYZVAAVQFLIN-HSZRJFAPSA-N 410.518 3.354 0 40 HGAB Cn1nccc1C(=O)N[C@@H]1c2ccccc2[C@@H]2CN(Cc3ccc(F)cc3F)C[C@H]12 585109792 UQHPIYOKBAGSGF-CNNODRBYSA-N 408.452 3.399 0 40 HGAB Cc1nc(/C=C/C(=O)N2CCC(Cc3cnc(Nc4ccccn4)cn3)CC2)cs1 585290562 CSCXQQJSPFCFLQ-AATRIKPKSA-N 420.542 3.875 0 40 HGAB O=C(NCc1ccc(-c2ccc3c(c2)CCCO3)cc1)c1ccc2c(c1)C(=O)NC2=O 591452852 SZECSGAEZQKESG-UHFFFAOYSA-N 412.445 3.492 0 40 HGAB Cc1nc2ccc(OCC3CCN(C(=O)[C@H]4OCCc5ccccc54)CC3)nn2c1C 1888913788 VFPSBDUAIOLOJA-QHCPKHFHSA-N 420.513 3.278 0 40 HGAB COC(=O)c1ccc(NC(=O)CSc2nc3sc(C)c(C)c3c(=O)n2C)cc1 2397360 XZORODZEYPQTRB-UHFFFAOYSA-N 417.512 3.129 0 40 HGAB COc1ccc(C(=O)NC(=S)Nc2ccc(Br)c(C)n2)cc1OC 4122584 VTFKLSRYQVPDTJ-UHFFFAOYSA-N 410.293 3.297 0 40 HGAB CCc1ccc(NC(=O)Cn2cnc3c(cnn3-c3ccc(C)c(C)c3)c2=O)cc1 4166092 BUAVECRZGMABRD-UHFFFAOYSA-N 401.470 3.400 0 40 HGAB Cc1ccc(Cn2c(=O)c3c(nc4n3C[C@@H](C)CN4c3ccccc3)n(C)c2=O)cc1 4249177 VBTBIHKUMSCHNN-KRWDZBQOSA-N 415.497 3.041 0 40 HGAB CCCc1cc(=O)[nH]c2nnc(SCC(=O)Nc3nc4ccc(C)cc4s3)n12 4250231 IGCGQDJUAAOBFO-UHFFFAOYSA-N 414.516 3.019 0 40 HGAB Cc1ccc(NC(=O)C(=O)NCCc2csc3nc(-c4ccc(C)cc4)nn23)cc1 4374820 OVEQCTVOSFXUBM-UHFFFAOYSA-N 419.510 3.372 0 40 HGAB COc1ccc(CCNC(=O)CSc2nnc3ccc(-c4ccccc4)nn23)cc1 4376557 CYWUUDRAYJJLRY-UHFFFAOYSA-N 419.510 3.251 0 40 HGAB O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)O 4999573 JBLIRRPOKMYFRG-YIFBXAAPSA-N 410.392 3.003 0 40 HGAB CCOc1ccc(CC(=O)Nc2ccc(Cl)c(N3CCCS3(=O)=O)c2)cc1 5076043 UKIZTEZQGMAJGZ-UHFFFAOYSA-N 408.907 3.460 0 40 HGAB Cc1nc2ccc(NC(=O)[C@H]3CCCN3S(=O)(=O)c3cccs3)cc2s1 5298725 ISMZUVXLDMSLKC-CQSZACIVSA-N 407.542 3.458 0 40 HGAB CC(C)[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)NCc1ccccc1 5559555 VMTOXZLZDPGPOA-KRWDZBQOSA-N 414.449 3.325 0 40 HGAB CCOc1ncccc1C(=O)NCCN1C(=O)S/C(=C/c2cccs2)C1=O 5967502 OREOIIRMUDEAKV-SDNWHVSQSA-N 403.485 3.008 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)COC(=O)CCC2CCCC2)cc1 6594096 HUCOANPCCQETPQ-UHFFFAOYSA-N 410.536 3.169 0 40 HGAB COc1ccc2c(C)c(CC(=O)Nc3ccc4c(c3)OCCO4)c(=O)oc2c1OC 6660871 CQECHVQAUAAGNT-UHFFFAOYSA-N 411.410 3.071 0 40 HGAB CCCNC(=O)COc1ccc(S(=O)(=O)Nc2ccc(OCC)cc2)cc1C 7361987 CAXBKSFBOSEIGK-UHFFFAOYSA-N 406.504 3.100 0 40 HGAB CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)OC(=O)CCC2CCCC2)cc1 7483860 YRKUBIBVYMAIRN-OAHLLOKOSA-N 410.536 3.214 0 40 HGAB Cc1ccccc1C(=O)N1CCC(C(=O)Nc2ccc(N3CCOCC3)cc2)CC1 7842661 DGABLOGVWDXLQJ-UHFFFAOYSA-N 407.514 3.323 0 40 HGAB COc1ccc(Cl)cc1CN1C(=O)N[C@](C)(Cc2ccc3c(c2)OCO3)C1=O 7875557 WYOOJGDXVHHXFW-HXUWFJFHSA-N 402.834 3.131 0 40 HGAB COc1ccc(C)cc1-n1nnnc1SCC(=O)Nc1ccnn1C1CCCC1 8076417 BAIXFQCSSKPATL-UHFFFAOYSA-N 413.507 3.022 0 40 HGAB CCOC(=O)C1=C(C)Oc2ncn3nc(-c4ccccc4O)nc3c2[C@@H]1c1ccco1 9429484 QRPDRZQNNCNGSU-QGZVFWFLSA-N 418.409 3.451 0 40 HGAB CCCCc1nc(CN2CCc3c(nc(N4CCC(C)CC4)[nH]c3=O)C2)c(Cl)[nH]1 12087382 BZHCHWFKWWICJW-UHFFFAOYSA-N 418.973 3.284 0 40 HGAB O=C(COc1c(I)cc(Cl)c2cccnc12)N1CCCC1 12553237 WDFGBLCICYZLSV-UHFFFAOYSA-N 416.646 3.494 0 40 HGAB CNC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)cc1 12768001 RDVSYLUMNHPKOT-OAHLLOKOSA-N 415.540 3.224 0 40 HGAB Cc1nc(SCC(=O)N(C)Cc2nc3ccccc3s2)c(C(N)=O)c(C)c1C 12792248 WLIFTGJNMGWXOZ-UHFFFAOYSA-N 414.556 3.466 0 40 HGAB O=C(NCc1ccccc1S(=O)(=O)N1CCCCC1)c1cccc(OC(F)F)c1 12816696 CPUZWGSEQSMURP-UHFFFAOYSA-N 424.469 3.393 0 40 HGAB C[C@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)N1CCN(c2cccc(Cl)c2)CC1 13692217 GXUDUPNOGGATOO-HNNXBMFYSA-N 410.905 3.288 0 40 HGAB Cc1cccc(/C=N/N2CC(=O)N3[C@H](Cc4c([nH]c5ccccc45)C3(C)C)C2=O)c1 16042854 PMMQZLJFSWUJHN-ORBAKXMTSA-N 400.482 3.341 0 40 HGAB COc1ccc(Br)cc1/C=c1\sc2nc(-c3cccs3)nn2c1=O 16732680 OFXGWWXAPAHKEN-JYRVWZFOSA-N 420.313 3.198 0 40 HGAB COc1ccc(-c2noc(Cn3nc(-c4ccc(F)cc4)ccc3=O)n2)c(OC)c1 16845938 GRLVFZSEGREBCX-UHFFFAOYSA-N 408.389 3.165 0 40 HGAB O=c1cc([C@H]2CCCN(Cc3cncc4c(Cl)n[nH]c34)C2)nc(-c2ccccn2)[nH]1 19402782 QUYBINHGNVMINR-ZDUSSCGKSA-N 421.892 3.136 0 40 HGAB C[C@@H](NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)c1ccc2c(c1)CCCO2 19458851 VRBXELJUSHBNJQ-QAPCUYQASA-N 422.481 3.013 0 40 HGAB C[C@H](NC(=O)CN1CCN([C@@H](c2ccccc2)c2nccn2C)CC1)c1ccccc1 19459467 ZORJNFKYLPPABE-RDPSFJRHSA-N 417.557 3.005 0 40 HGAB COc1ccc([C@H]2c3nc[nH]c3CCN2C(=O)[C@@H]2COc3c(cccc3OC)C2)cc1 19553979 CISXSQPTQPKMJL-JTSKRJEESA-N 419.481 3.152 0 40 HGAB Cc1cc(C)nc(N2CCO[C@H](c3nc(N(C)C)ncc3-c3ccc(F)cc3)C2)n1 19692734 WGZDUOMWXLUMID-IBGZPJMESA-N 408.481 3.333 0 40 HGAB CSc1cccc(NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)N(C)C)c1 20244767 HGTUFSAUEKQIAF-UHFFFAOYSA-N 407.561 3.277 0 40 HGAB CCOc1ccccc1N(CC(=O)N(CC)CC)S(=O)(=O)c1ccc(C)cc1 22276542 JEDJQYLXFPSSBJ-UHFFFAOYSA-N 404.532 3.457 0 40 HGAB CC(=O)c1ccccc1OCCSc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 22473445 MEZZURRLSXKPRX-UHFFFAOYSA-N 406.467 3.483 0 40 HGAB C[C@@H](OC(=O)CCS(=O)(=O)c1ccc(F)cc1)C(=O)c1c[nH]c2ccccc12 22714230 BMQCXIVWJDABJM-CYBMUJFWSA-N 403.431 3.285 0 40 HGAB COc1ccc([C@@H](CNC(=O)c2ccc(-n3cccc3)cc2)N2CCOCC2)cc1 24573349 VJMRGUKCQCIWQE-HSZRJFAPSA-N 405.498 3.289 0 40 HGAB O=C(CCc1ncc(-c2ccccc2)o1)NCc1ccc(C(=O)N2CCOCC2)cc1 24982448 XXVXSCODAZCXJR-UHFFFAOYSA-N 419.481 3.063 0 40 HGAB COc1ccc([C@H]2CCCN2C(=O)CN2C(=O)N[C@@](C)(c3ccc(C)cc3)C2=O)cc1 27153752 PVNUGXYVGHYUEA-YKSBVNFPSA-N 421.497 3.134 0 40 HGAB O=C(Cn1nnc(-c2cccc(F)c2)n1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 32572860 VMXSEQFRWWHXPD-SFHVURJKSA-N 423.448 3.004 0 40 HGAB COC(=O)C[C@H](NC(=O)C1CCN(C(=O)c2cccs2)CC1)c1ccc(C)cc1 32821113 FVLLUONCBOFFGK-SFHVURJKSA-N 414.527 3.329 0 40 HGAB Cc1ccc(C(=O)NCc2ccccc2CN2CCCCC2)cc1NS(C)(=O)=O 32908895 NOTAVKXQPDWJCH-UHFFFAOYSA-N 415.559 3.282 0 40 HGAB Cc1ccccc1C(=O)N[C@@H](CC(C)C)c1n[nH]c(=S)n1CCN1CCOCC1 32934884 UMQSXVXAEDPHMU-SFHVURJKSA-N 417.579 3.099 0 40 HGAB Cc1ccc(-c2cc(C(=O)NC3CCCC3)nn2[C@@H]2CCS(=O)(=O)C2)cc1C 33325677 HAEKNGKPDCODEL-GOSISDBHSA-N 401.532 3.199 0 40 HGAB CC1=C2C[C@@H]3[C@H](C[C@]2(C)CCC1)OC(=O)[C@@H]3CN1CCN(C(=O)c2ccco2)CC1 33925139 UFAAOAUAAMIQQW-QNJCZANYSA-N 412.530 3.496 0 40 HGAB biogenic CCOC(=O)c1cc(NC(=O)c2cccc(NS(C)(=O)=O)c2C)ccc1Cl 38753770 NANZNZJYURQUGN-UHFFFAOYSA-N 410.879 3.449 0 40 HGAB CCOc1ccccc1CNC(=O)CN(c1ccc(C)c(Cl)c1)S(C)(=O)=O 38753962 TYTZXYVDBJPYCH-UHFFFAOYSA-N 410.923 3.130 0 40 HGAB COc1ccc([C@@H]2CCCN2C(=O)CCCC[C@@H]2SC[C@H]3NC(=O)N[C@@H]32)cc1 40013717 YBMWPQWTLSHKOM-LXZJYRNTSA-N 403.548 3.085 0 40 HGAB C[C@@H]1CCCC[C@H]1NC(=O)CN1C(=O)N[C@](C)(c2ccccc2C(F)(F)F)C1=O 40116621 RWGISDXTOURFAU-KPAZRMRSSA-N 411.424 3.167 0 40 HGAB COC(=O)CCCCCNC(=O)N1CCc2[nH]cnc2[C@@H]1c1cccc(F)c1F 40288353 VEFVQXZCEFLLKY-IBGZPJMESA-N 406.433 3.078 0 40 HGAB COc1ccc(-c2nnc3sc(NC(=O)COc4ccc(C)cc4C)nn23)cc1 41076467 SUGUVPTVGZTWIL-UHFFFAOYSA-N 409.471 3.496 0 40 HGAB CN(C)[C@@H](CNC(=O)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1)c1cccs1 44118133 WVRRFTGFNPVVCE-IRXDYDNUSA-N 402.520 3.290 0 40 HGAB CS(=O)(=O)N1CC[C@H](C(=O)NCCCc2ccc(Cl)cc2)Oc2ccccc21 44906443 BAMQYERJUGKBQI-LJQANCHMSA-N 422.934 3.006 0 40 HGAB CCOC(=O)[C@@H]1CC(=O)N(c2cc(C)c(I)c(CC)c2)C1 45889674 ALUXHTMKILUPOM-GFCCVEGCSA-N 401.244 3.078 0 40 HGAB CC(C)Oc1cccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)c1 46663322 NOTNNFIOQQYMAK-LJQANCHMSA-N 416.543 3.191 0 40 HGAB O=C(Cc1ccccc1)NC1CCN(c2ccc(S(=O)(=O)C(F)F)cc2)CC1 48300576 YUAHYFSGRWPHJB-UHFFFAOYSA-N 408.470 3.011 0 40 HGAB Cc1c(C)c(C)c(S(=O)(=O)Nc2ccc(C(=O)NCCCO)cc2)c(C)c1C 58343068 SWEBUXPPXCBZTK-UHFFFAOYSA-N 404.532 3.142 0 40 HGAB COc1cc(NC(=O)NC[C@H]2Cc3ccccc3O2)ccc1NC(=O)c1cccnc1 65475092 JZLJYDIUKYTNLH-GOSISDBHSA-N 418.453 3.468 0 40 HGAB CC(C)(CO)NC(=O)Cc1ccc(NC(=O)c2ccc(OC(F)(F)F)cc2)cc1 77200939 IFHYZKJXHXCCGU-UHFFFAOYSA-N 410.392 3.267 0 40 HGAB CCO[C@@H]1C[C@H](NC(=O)c2cc(S(=O)(=O)N3CCCC3)c(C)o2)C12CCCCC2 78878974 YIUULACTONHGIB-RBUKOAKNSA-N 424.563 3.230 0 40 HGAB COC(=O)c1nc(NC(=O)CCc2cc3c(C)cc(=O)oc3cc2OC)sc1C 79191949 QZDKNZSFDNPUOT-UHFFFAOYSA-N 416.455 3.233 0 40 HGAB biogenic Cc1ccc(NC(=O)N2CCC[C@]3(C(=O)N(C)C)CN(c4ccccn4)C[C@@H]3C2)cc1 96083051 CYFYAZZLDPCDAI-CYFREDJKSA-N 421.545 3.229 0 40 HGAB O=C(CCCNC(=O)c1cnccn1)N[C@H]1CCCc2c1[nH]c1c(Cl)cccc21 96117026 FURGRWCQADVIBH-INIZCTEOSA-N 411.893 3.315 0 40 HGAB OC[C@H]1CCCN(c2ncc3c(n2)C[C@H]2CC[C@H]3N2Cc2c(F)cccc2F)C1 100120927 SLJVYCUVFRMVDJ-PDSXEYIOSA-N 400.473 3.225 0 40 HGAB COCCCNC(=O)c1ccc2[nH]cc3c(=O)n(-c4ccc(Cl)cc4)nc-3c2c1 101282226 QLTURXNNTZSQST-UHFFFAOYSA-N 410.861 3.238 0 40 HGAB CC[C@@H](C(=O)NCc1cccc(OC(C)C)c1)N(c1ccc(F)cc1)S(C)(=O)=O 113949701 QXWRVVSOFAWBMU-FQEVSTJZSA-N 422.522 3.474 0 40 HGAB CCOc1ccc(CCCNC(=O)CCCN(c2ccccc2)S(C)(=O)=O)cc1 219173798 FCESTKKZELBOEN-UHFFFAOYSA-N 418.559 3.381 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCc1ccc2ccccc2c1 222778511 HVPMAGAMNFUMQV-UHFFFAOYSA-N 424.522 3.099 0 40 HGAB CC(C)n1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1CCCN1CCOCC1 223192838 AKWGVBPBAONUNA-RTWAWAEBSA-N 413.591 3.159 0 40 HGAB CC[C@@H](NS(=O)(=O)c1ccc(OC)c(N2C(=O)CCC2=O)c1)c1ccc(C)cc1 224859527 NCKVJATWNRNBPW-QGZVFWFLSA-N 416.499 3.087 0 40 HGAB CCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CCc1ccc2c(c1)OCO2 225068745 OPWINJGHZFCGLH-GOSISDBHSA-N 410.514 3.334 0 40 HGAB O=C(COc1cccc2c1CCCC2)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 225820784 ALVFMGLVIHQSQF-UHFFFAOYSA-N 414.527 3.367 0 40 HGAB COc1ccc([C@H](CC(=O)N[C@H](C)c2ccc(Cl)cc2)NS(C)(=O)=O)cc1 225954222 NRHGYKFWSBQGAZ-ACJLOTCBSA-N 410.923 3.206 0 40 HGAB O=c1c(=Cc2ccc(F)cc2)sc2nc(-c3ccccc3Br)nn12 254870299 QJXNRRATLNQZJZ-UHFFFAOYSA-N 402.248 3.267 0 40 HGAB Cc1oc2cc(OCC(=O)N[C@H](C)C(=O)O)ccc2c(=O)c1Oc1ccccc1F 256027967 MAPKFQDHNRPQHT-LLVKDONJSA-N 415.373 3.001 0 40 HGAB Cc1ccccc1Cc1cccc([C@@H]2CN(Cc3cnc(N(C)C)nc3)CCO2)n1 257234180 GSMFLVXEFLUJFS-QHCPKHFHSA-N 403.530 3.410 0 40 HGAB Cc1ccc(OC[C@@]2(O)CCCN(CC(=O)NCc3cccc(F)c3)CC2)cc1 257334547 YGJUHAADGLMPOA-HSZRJFAPSA-N 400.494 3.046 0 40 HGAB COc1ccc(CCNC(=O)N[C@@H](CC(C)C)c2nnc3ccccn23)cc1OC 524734734 IWYGRIVOOHMRPR-KRWDZBQOSA-N 411.506 3.376 0 40 HGAB Cc1cccc(CO[C@H]2CCOC3(C2)CN(C(=O)c2cn(C)c4ccccc24)C3)n1 575405019 QENUOBJBHDHHRH-IBGZPJMESA-N 405.498 3.472 0 40 HGAB Cc1cc(CN2CCC[C@]3(CCCN3C(=O)COc3ccccc3C)CC2)n(C)n1 585100112 FVJDDEWACKOBFN-DEOSSOPVSA-N 410.562 3.463 0 40 HGAB Cc1cccc(Nc2cc(C)nc([C@H]3CCCCN3C(=O)/C=C/c3ccnn3C)n2)n1 585292672 QMWOTRNNOJPYSA-GNISGLHKSA-N 417.517 3.733 0 40 HGAB CN(Cc1ccccc1)C(=O)CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]12 604419177 ASTGOQBWXHYWFJ-QHCPKHFHSA-N 411.461 3.460 0 40 HGAB CSCC[C@@H](NC(=O)C1CCC(C)CC1)C(=O)NCCCN1CCCC[C@H]1C 1505840636 JLOSPIYCCFPMEJ-CQJJOKNBSA-N 411.656 3.431 0 40 HGAB Cc1cnc(N(C)[C@H]2CCCN(C(=O)Cc3ccccc3Br)C2)nc1 1889186494 TVLLGFUKWCMFCE-INIZCTEOSA-N 403.324 3.217 0 40 HGAB Cc1nc(N2CCN(Cc3csc(-c4ccccc4)n3)CC2)cc(-n2cccn2)n1 2086889509 KSBPMPWZQDQORA-UHFFFAOYSA-N 417.542 3.416 0 40 HGAB O=C(NC(=S)N1CCN(c2nc(-c3ccccc3)cs2)CC1)c1cccnc1 679636 NODIXDSVZGPEML-UHFFFAOYSA-N 409.540 3.042 0 40 HGAB O=c1/c(=C\c2cccc3ccccc23)sc2nc([C@H]3COc4ccccc4O3)nn12 1126593 BNKKSEZTEARSBO-FUNKKEAFSA-N 413.458 3.364 0 40 HGAB COc1ccccc1-c1nnc(SCC(=O)N2CCCC2=O)n1-c1ccccc1 3401577 ZZNBXCHANNICMO-UHFFFAOYSA-N 408.483 3.184 0 40 HGAB C[C@@H](C(=O)NC1CCCCCC1)N1C(=O)N2CCc3c([nH]c4ccccc34)[C@@]2(C)C1=O 4073647 FBXKCLWEUPMWKD-OWJWWREXSA-N 422.529 3.431 0 40 HGAB biogenic CC(C)CCn1c(=O)c2c(nc3n2CCCN3c2cccc(Cl)c2)n(C)c1=O 4249373 ZSNFQWRSYSBRDX-UHFFFAOYSA-N 401.898 3.138 0 40 HGAB Cc1ccc(C)c(NC(=O)c2ccc(S(=O)(=O)N(C)C[C@H]3CCCO3)cc2)c1 4348224 NYZVRCDQLKXFQI-GOSISDBHSA-N 402.516 3.355 0 40 HGAB O=C(COC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)Nc1ccccc1C(F)(F)F 4550733 IRWDGKHALWAMSE-ZDUSSCGKSA-N 406.360 3.240 0 40 HGAB CCCN1C(=O)[C@](O)(CC(=O)c2c(C)n[nH]c2C)c2cc(Br)ccc21 4554728 SXUDRVZJJYOVDN-SFHVURJKSA-N 406.280 3.006 0 40 HGAB O=C1CC[C@@H](C(=O)N(Cc2ccco2)C2(C(=O)NC3CCCCC3)CCCCC2)N1 4571594 YTIXFPAYZIGQRV-IBGZPJMESA-N 415.534 3.039 0 40 HGAB CCOC(=O)c1nn(-c2ccccc2)c(=O)cc1OCC(=O)Nc1cc(C)cc(C)c1 4853590 FLCCHDAUWBFUDT-UHFFFAOYSA-N 421.453 3.044 0 40 HGAB CC(C)N(C(=O)CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O)c1ccccc1 5342583 GTWYFCBQXLMDLW-FQEVSTJZSA-N 404.470 3.072 0 40 HGAB Cc1ccccc1Nc1nc(N)nc(COC(=O)c2cccc(OC(F)F)c2)n1 5398375 LWEQQKQVZUYMGF-UHFFFAOYSA-N 401.373 3.464 0 40 HGAB CCOc1ccc(C(=O)OCC(=O)Nc2ccc(C(=O)OC)cc2)cc1OCC 5739699 DDFSGBSUBMIMTR-UHFFFAOYSA-N 401.415 3.066 0 40 HGAB Cc1cc(NC(=O)CSCC(=O)O[C@H](C)C(=O)c2cc(C)c(C)cc2C)no1 5786793 MXWFUEFVOUTXFZ-OAHLLOKOSA-N 404.488 3.395 0 40 HGAB Cc1c(NC(=O)[C@@H](C)OC(=O)c2cccc(Cl)c2)c(=O)n(-c2ccccc2)n1C 5980879 MZMCXZDZXNRBFL-CQSZACIVSA-N 413.861 3.322 0 40 HGAB CC(=O)Nc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)cc1 6295969 UYBIPFCEGHGFFB-YVLHZVERSA-N 413.430 3.459 0 40 HGAB C[C@H](Oc1ccc2ccc(=O)oc2c1)C(=O)NC1CCN(Cc2ccccc2)CC1 6659873 DGSXCBZLHHKNJU-KRWDZBQOSA-N 406.482 3.341 0 40 HGAB biogenic O=C(NC[C@H]1CCCO1)c1ccccc1NS(=O)(=O)c1ccc2c(c1)CCCC2 7728521 JNOGHNPXZVHORF-GOSISDBHSA-N 414.527 3.275 0 40 HGAB COc1ccc(OC)c(-c2csc(NC(=O)[C@H]3CS[C@@]4(C)CCC(=O)N34)n2)c1 7757660 OCQAGXPYYYTJRZ-KUHUBIRLSA-N 419.528 3.220 0 40 HGAB CSc1nnc(CCCNC(=O)[C@H]2COc3ccccc3O2)n1C1CCCC1 7924223 YEZIXKSCCRQIGG-QGZVFWFLSA-N 402.520 3.004 0 40 HGAB CN(c1ccc(-c2csc(NC(=O)Cc3cccs3)n2)cc1)S(C)(=O)=O 7989617 MZFGZBOVIJPCKH-UHFFFAOYSA-N 407.542 3.449 0 40 HGAB CCCN(Cc1nnc(-c2ccco2)o1)C(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 8074847 CZCMGAYQPXPOAU-QGZVFWFLSA-N 408.458 3.117 0 40 HGAB COc1cc(/C=C(/C#N)C(=O)NC(N)=O)cc(Cl)c1OCc1ccccc1F 8111249 VQCIERZZSXSHET-MLPAPPSSSA-N 403.797 3.169 0 40 HGAB O=C(CSc1ncnc2ccccc12)N(C1CCCCC1)[C@H]1CCS(=O)(=O)C1 8186446 SXGVNIMRVNEPEU-INIZCTEOSA-N 419.572 3.070 0 40 HGAB CC(=O)c1cccc(NC(=O)CCCC(=O)OCC(=O)N[C@@H](C)c2ccccc2)c1 8416957 ZRKZWHXXHDGDEG-INIZCTEOSA-N 410.470 3.419 0 40 HGAB COc1ccc(S(=O)(=O)Nc2ccc3c(c2)CN(C(=O)C2CC2)CC3)cc1C 8977373 MZGISZNWVGLGRC-UHFFFAOYSA-N 400.500 3.099 0 40 HGAB CCOc1ccccc1[C@@H]1CC(c2ccccc2NS(C)(=O)=O)=NN1C(C)=O 9262795 VHQPIMOPQDPGSN-IBGZPJMESA-N 401.488 3.154 0 40 HGAB O=C(Nc1nc(-c2cccnc2)cs1)c1cccc(S(=O)(=O)N2CCCC2)c1 9376528 LRDUTKMRJBTIRK-UHFFFAOYSA-N 414.512 3.242 0 40 HGAB COc1ccc(CNC(=O)CSc2nccn(-c3ccc(C)c(F)c3)c2=O)cc1 9761457 FTIXIHUFQDIPRH-UHFFFAOYSA-N 413.474 3.097 0 40 HGAB Cc1ccc(S(=O)(=O)Nc2nc(CC(=O)NCCc3ccccc3)cs2)cc1 9828575 BDUXXJIORGOVHB-UHFFFAOYSA-N 415.540 3.154 0 40 HGAB Cc1ccc(NC(=O)C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)cc1F 10512937 JHBFGWWEPJZDMV-UHFFFAOYSA-N 422.386 3.446 0 40 HGAB O=C(Nc1cccc(CNS(=O)(=O)c2ccccc2Br)c1)C1CC1 10669006 YCRZFIBNNUBFDS-UHFFFAOYSA-N 409.305 3.276 0 40 HGAB O=C1N[C@@]2(COC3(CCN(C(=O)C4(c5ccccc5)CC4)CC3)C2)Nc2ccccc21 12085449 JCTHMJUOVSXDMV-VWLOTQADSA-N 417.509 3.052 0 40 HGAB CS(=O)(=O)N1Cc2ccccc2O[C@@]2(CCCN(Cc3ccc(F)cc3)C2)C1 12087213 BXESOJUOCLUWTD-OAQYLSRUSA-N 404.507 3.015 0 40 HGAB OC1CCN(c2nc(-c3ccccn3)nc3c2CN(Cc2ccccc2)CC3)CC1 12122838 IUTIRUYSXHGUPC-UHFFFAOYSA-N 401.514 3.058 0 40 HGAB CC[C@@H](C)NC(=O)CN1C(=O)[C@@H](CC)Oc2ccc(C(=O)c3cccs3)cc21 12242020 OHGUNZIVYYCIOD-CZUORRHYSA-N 400.500 3.398 0 40 HGAB Cc1nc(-c2ccc(CCNC(=O)c3cc(S(N)(=O)=O)ccc3C)s2)cs1 12397144 UIUFWPVCTQOZOP-UHFFFAOYSA-N 421.569 3.108 0 40 HGAB O=C(CSc1ccc(S(=O)(=O)N2CCCCCC2)cn1)c1ccc(O)cc1 12539977 URCZMDXHNXULGI-UHFFFAOYSA-N 406.529 3.327 0 40 HGAB CCn1c(=O)n(CCC(=O)NCc2ccccc2OC(F)(F)F)c2ccccc21 12861733 FJGQIOPNWBVGLH-UHFFFAOYSA-N 407.392 3.428 0 40 HGAB Cc1cc(C)c(NC(=O)CNC(=O)COC(=O)CSc2ccc(F)cc2)c(C)c1 12939343 XNYVBUHBDPQVIB-UHFFFAOYSA-N 418.490 3.141 0 40 HGAB Cc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)NCCC(C)C)cc2)cc1 13585200 BWPNLWQCEBPMSF-UHFFFAOYSA-N 404.532 3.361 0 40 HGAB CC[C@@H](C(=O)Nc1cc(OC)ccc1OC)N(c1ccc(C)cc1)S(C)(=O)=O 13713152 QUGWQVGWWDAWMU-SFHVURJKSA-N 406.504 3.196 0 40 HGAB COc1ccc2[nH]cc(CCN3C[C@@H](C(=O)Nc4cc(F)cc(F)c4)CC3=O)c2c1 13944702 ITLMMYDPDQYBGU-AWEZNQCLSA-N 413.424 3.484 0 40 HGAB COc1ccc(-c2nnn(CN(C)Cc3ccc(C(F)(F)F)cc3)n2)cc1OC 14234396 WDIVGDABNQRLJT-UHFFFAOYSA-N 407.396 3.466 0 40 HGAB C[C@@H]1C[C@@H](C)CN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)C1 14239391 YVVTUDJVUHHLHA-IAGOWNOFSA-N 404.576 3.081 0 40 HGAB COc1ccccc1N1CCN(C(=O)CCc2nc(-c3cccc(C)c3)no2)CC1 15669995 ROQGDPWWMSNRFK-UHFFFAOYSA-N 406.486 3.335 0 40 HGAB COc1ccc(C(=O)CSc2nnc(-c3ccc(Br)cc3)n2N)cc1 16805997 XTMBDFFZEUMEAK-UHFFFAOYSA-N 419.304 3.405 0 40 HGAB Cc1ccc([C@H](CNC(=O)C23C[C@@H]4C[C@H](C2)CC(n2cncn2)(C4)C3)N(C)C)cc1 19136427 WWSHJNGYLJNVMF-QXPPZTQFSA-N 407.562 3.301 0 40 HGAB O=S(=O)(CCOc1ccccc1)N1CCC[C@H]1c1nnc(-c2ccsc2)o1 19373545 SWSCPEBVVPDXFZ-INIZCTEOSA-N 405.501 3.344 0 40 HGAB Cc1nc(C2CCN(C(=O)CC(C)C)CC2)nc2c1CCC(=O)N2Cc1ccccn1 19739337 AEKPLDXQKQPWAH-UHFFFAOYSA-N 421.545 3.412 0 40 HGAB Cc1nc([C@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)ncc1C(=O)N1CCCCC1 19763159 AZFQXYBVDJVGCJ-IBGZPJMESA-N 424.520 3.499 0 40 HGAB CS(=O)(=O)Nc1ccc(C(=O)Nc2ccccc2C(=O)N2CCCC2)cc1Cl 20112760 CBDQQNIDXPVFNU-UHFFFAOYSA-N 421.906 3.200 0 40 HGAB Nc1c(-c2nc3ccccc3[nH]2)c2nc3ccccc3nc2n1CCN1CCOCC1 20477842 HTMAHQMRTMFCRW-UHFFFAOYSA-N 413.485 3.042 0 40 HGAB Cc1ccc([C@@H](CNC(=O)c2cc(-c3ccc4c(c3)OCCO4)on2)N(C)C)cc1 21807545 RBZJLJGCAVNTJA-LJQANCHMSA-N 407.470 3.454 0 40 HGAB CC[C@H](NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1)c1ccc(OC)cc1 21836901 CKZPTZAENJIUIL-SFHVURJKSA-N 410.923 3.237 0 40 HGAB Cc1ccc(N(CC(=O)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)S(C)(=O)=O)cc1 22328009 IAMDLDKBLFMBPA-LJQANCHMSA-N 416.543 3.488 0 40 HGAB Cc1cc(NC(=O)[C@H](C)OC(=O)Cc2csc(COc3ccc(F)cc3)n2)no1 23219231 HXSFTVYKAZVXKR-LBPRGKRZSA-N 419.434 3.271 0 40 HGAB Cc1nn(Cc2ccccc2)c(C)c1C(=O)NCc1ccccc1CN1CCOCC1 23873363 HFQUKQDNLSGEIH-UHFFFAOYSA-N 418.541 3.310 0 40 HGAB O=C(c1ccc(-c2nnco2)cc1)N1CCN(Cc2nc3ccccc3s2)CC1 23955713 BAPCRXWJCHFQKK-UHFFFAOYSA-N 405.483 3.304 0 40 HGAB COc1ccc(-n2cnnc2SCC(=O)N(C)CCOc2ccccc2C)cc1 26554838 KUTKETRKXCPRMW-UHFFFAOYSA-N 412.515 3.214 0 40 HGAB Cc1ccccc1NC(=O)CSc1nc(Cc2ccc(C(C)C)cc2)n(N)c(=O)n1 27643441 KUEAZTFLJNETTO-UHFFFAOYSA-N 423.542 3.106 0 40 HGAB COc1ccc(C)cc1CCNC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1 30156713 GCIQBNXEYVADDN-UHFFFAOYSA-N 407.919 3.322 0 40 HGAB O=C(Nc1ccc(CNC(=O)[C@@H]2CCCN(C(=O)c3ccoc3)C2)cc1)c1ccco1 30761788 BIXBKTMVDVCDAP-QGZVFWFLSA-N 421.453 3.294 0 40 HGAB O=C(c1ccc(F)cc1)c1ccc(OCC(=O)N2CCN(c3ccccn3)CC2)cc1 31682364 KMDMPGPVBJRLLJ-UHFFFAOYSA-N 419.456 3.179 0 40 HGAB CC(=O)N1CCc2cc(C(=O)[C@H](C)OC(=O)c3cc(C)nc4onc(C)c34)ccc21 32869404 XBXROWZOAVMJHU-ZDUSSCGKSA-N 407.426 3.177 0 40 HGAB CCN(CC)c1nc2ccsc2c(=O)n1CCC(=O)NCCc1cccs1 33308904 KWGVDNDILDOBFA-UHFFFAOYSA-N 404.561 3.115 0 40 HGAB CN1C(=O)c2cccc3c(S(=O)(=O)N4CCCCC4)cc(Br)c1c23 35686189 NQYDIXJRIQFBGA-UHFFFAOYSA-N 409.305 3.367 0 40 HGAB Cc1ccc(Cl)cc1S(=O)(=O)N1CCN(c2nc3ccccc3n2C)CC1 44443727 NNESXZMNFMOXEY-UHFFFAOYSA-N 404.923 3.046 0 40 HGAB CCN(C(=O)c1cc2c(C)nn(Cc3ccc(F)cc3)c2s1)[C@@H]1CC(O)=NC1=O 58159190 SLEORPRKUSKJFM-OAHLLOKOSA-N 414.462 3.311 0 40 HGAB CCOc1cc(/C=C/C(=O)N[C@@H](C(=O)O)C(C)C)cc(Br)c1OCC 62715251 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CCCn1c(CN(C)[C@H](C)c2ccccn2)nc2cc(S(=O)(=O)N(C)C)ccc21 89960700 FZNUQPLTGLHMLO-MRXNPFEDSA-N 415.563 3.285 0 40 HGAB O=C(CN1C(=O)[C@H]2CCCC[C@H]2C1=O)Nc1nc2ccc(Br)cc2s1 95948006 WNHYKGJJHFJRKM-PHIMTYICSA-N 422.304 3.173 0 40 HGAB COc1ccc2c(c1)O[C@]1(C[C@@H]3CC[C@@H]1C[C@@H]3C(=O)NCc1cccs1)NC2=O 100181465 TWBQDQTVERPRNQ-ZDAGVSNUSA-N 412.511 3.328 0 40 HGAB COc1ccc(C2=NO[C@@H]3C(=O)N(c4ccc(Cl)cc4Cl)C(=O)[C@H]23)c(OC)c1 101254056 BLVGVUYRANKNAF-WBVHZDCISA-N 421.236 3.303 0 40 HGAB CC[C@H](C(=O)Nc1ccc(OC)c(OC)c1)N(c1ccccc1F)S(C)(=O)=O 113967646 BUIGKKYHSUEJHN-OAHLLOKOSA-N 410.467 3.026 0 40 HGAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3cccc(C)c3)C2)cc1 222585502 XXLUSOVOSGLKLZ-LJQANCHMSA-N 416.543 3.111 0 40 HGAB Cc1cc(O[C@H](C)C(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)ccc1Cl 222848396 UOGGAFMRGURQPW-CQSZACIVSA-N 422.934 3.255 0 40 HGAB COC(=O)c1ccccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCO)o1 223601881 YJSFTZZQFQEHOX-PMACEKPBSA-N 423.494 3.093 0 40 HGAB CCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)COc1ccc(OC)cc1 223843434 VWIHIDLPELNCPJ-INIZCTEOSA-N 402.466 3.157 0 40 HGAB COc1ccc(NC(=O)[C@H](C)Oc2ccc(N(C)S(C)(=O)=O)cc2)cc1Cl 225333892 BKQWAUGZKFTYGN-LBPRGKRZSA-N 412.895 3.150 0 40 HGAB CN(C)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2C(=O)c2ccccc2)c1 225424779 BGUWEGZYWIKIRB-UHFFFAOYSA-N 408.479 3.420 0 40 HGAB O=C1N[C@]2(C[C@H]3CC[C@H]2C[C@@H]3C(=O)N2CC[C@H](O)[C@H]3CCCC[C@H]32)Oc2ccccc21 247955824 NIBVGAOOZUMJJX-QYKSXIIQSA-N 424.541 3.093 0 40 HGAB Cc1ccccc1Cc1cccc([C@@H]2CN(CC(=O)NCc3ccccn3)CCO2)n1 257205015 AXFYBKKNXLJBFC-DEOSSOPVSA-N 416.525 3.066 0 40 HGAB CC[C@@H](C(=O)N[C@H](C)c1cc(OC)ccc1OC)N(c1ccccc1)S(C)(=O)=O 260746988 ZFIBUKRQXPTKAM-BEFAXECRSA-N 420.531 3.126 0 40 HGAB O=C(NCCCn1ccnc1)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 408564242 UDCIUNQZZNGMIV-QHCPKHFHSA-N 420.538 3.477 0 40 HGAB COc1ccccc1C1(CNC(=O)N2CCNC(=O)[C@H]2c2ccccc2)CCCC1 522806544 DUIZTMIBWYYZPA-OAQYLSRUSA-N 407.514 3.390 0 40 HGAB Cc1ccccc1[C@H](OC[C@@H](O)CN[C@@H]1CCC(=O)NC12CCC2)c1ccccc1 549118023 PVNPLZSTMPEWDK-BGWNEDDSSA-N 408.542 3.253 0 40 HGAB Cc1nc(N2CCC(NC(=O)c3ccc4nc(C)[nH]c4c3)CC2)cc(C(F)(F)F)n1 575616283 JLHYACSITAYSPL-UHFFFAOYSA-N 418.423 3.387 0 40 HGAB Cc1ccc(N2C[C@H](C(=O)NCc3nccnc3-c3ccsc3)CC2=O)cc1C 575619055 LQVXTMMSXBSGHE-QGZVFWFLSA-N 406.511 3.491 0 40 HGAB O=C(CN1CCCC[C@H]1c1nnc(C2CCOCC2)o1)Nc1cccnc1Cl 583621800 TUSKTUFTPGRAIX-HNNXBMFYSA-N 405.886 3.178 0 40 HGAB CCN1c2cccnc2-n2cccc2[C@]12CCN(C(=O)c1ccc3c(c1)CCO3)C2 585107289 SFGMFNGKSQWKKW-XMMPIXPASA-N 400.482 3.389 0 40 HGAB O=c1ccc(-c2ccncc2)nn1CC1CCN(c2ncnc3ccsc23)CC1 585500553 KFAVYHOPEXNIQI-UHFFFAOYSA-N 404.499 3.227 0 40 HGAB CCc1nc(-c2ccccc2NC(=O)c2ccc(S(=O)(=O)CC3CC3)cc2)n[nH]1 1566436044 KCBQEUHHKUHRNF-UHFFFAOYSA-N 410.499 3.470 0 40 HGAB COC(=O)[C@H]1CN(C(=O)NCC2(c3ccc(F)cc3F)CC2)Cc2ccccc21 1670672045 CPUJONHISRZVOG-KRWDZBQOSA-N 400.425 3.478 0 40 HGAB COc1ccc(Cl)cc1C(=O)N1CCN(c2ccnc(C(F)(F)F)c2)C(=O)C1 1775973054 FYUIXTQEWHPWLM-UHFFFAOYSA-N 413.783 3.251 0 40 HGAB O=S(=O)(c1ccc2c(c1)CCO2)N1C[C@H]2CCN(CC3CCCC3)CC[C@H]2C1 2056224550 LZWBFKNGDLVNAE-BGYRXZFFSA-N 404.576 3.144 0 40 HGAB CCc1cccc(CC)c1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C 3473948 BAIOFRMSTVOCKZ-UHFFFAOYSA-N 416.543 3.393 0 40 HGAB COc1cc(CCC(=O)N(C)CC(=O)Nc2ccc(Cl)cc2)cc(OC)c1OC 3621041 NGMLVHPVLAULFT-UHFFFAOYSA-N 420.893 3.396 0 40 HGAB CCOC(=O)c1c(N[C@@H]2OC(=O)c3ccccc32)sc(C(=O)OCCOC)c1C 4384839 TZJNOESWUADRMT-MRXNPFEDSA-N 419.455 3.318 0 40 HGAB CCn1c(CC(=O)Nc2ccccc2OC)nnc1SCC(=O)c1ccccc1 4814599 URMFDVRIYHNTQT-UHFFFAOYSA-N 410.499 3.463 0 40 HGAB Cc1ccc(-n2c(=O)c3ccccc3n(CC(=O)Nc3ccc(F)cc3)c2=O)cc1 4905025 BEAIUGNZOLWLKO-UHFFFAOYSA-N 403.413 3.239 0 40 HGAB COc1ccc(CC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2C)cc1 5455567 MRNAHXFYYYWYIJ-UHFFFAOYSA-N 402.516 3.359 0 40 HGAB CCn1nnc2cc(C(=O)O[C@@H](C)C(=O)Nc3ncc(Cl)cc3Cl)ccc21 5805104 WABHWJFDJVJIJR-VIFPVBQESA-N 408.245 3.337 0 40 HGAB Cc1ccc2nc(SCC(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)[nH]c2c1 6292259 GANKKCSDAXWCPT-UHFFFAOYSA-N 407.499 3.400 0 40 HGAB O=C(Cn1c(=O)c2sccc2n(Cc2ccccc2)c1=O)Nc1ccc(F)cc1 6662483 XXYCZAYFZCAPMS-UHFFFAOYSA-N 409.442 3.051 0 40 HGAB COc1ccc(CN(C)C(=O)[C@H](Cc2ccccc2)NC(=O)c2ccco2)c(OC)c1 6778354 IDJQPXXCGZCNNJ-FQEVSTJZSA-N 422.481 3.297 0 40 HGAB CCCCn1c(CSc2nnc(C)n2C2CC2)nc2cc(S(N)(=O)=O)ccc21 6934718 LUQQWMBYKHNNCS-UHFFFAOYSA-N 420.564 3.011 0 40 HGAB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCC(N)=O 6959331 ZTZMSZDYOXZFRJ-OVCLIPMQSA-N 413.861 3.457 0 40 HGAB O=C(NC[C@H]1COc2ccccc2O1)c1ccc(OCc2cn3ccccc3n2)cc1 8131330 KDAVFCKQMCQEHZ-FQEVSTJZSA-N 415.449 3.483 0 40 HGAB Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)cc12 8180991 DRAPQKWDESXEPQ-UHFFFAOYSA-N 412.496 3.295 0 40 HGAB O=C(Nc1ccc(N2CCCC2=O)cc1)[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1 8315943 WVVLJPQFYJSXAK-MRXNPFEDSA-N 411.889 3.454 0 40 HGAB CCOc1ccc(NC(=O)COC(=O)c2cccc(NC(=O)C(F)(F)F)c2)cc1 8412344 YJYOIPCWSBNQSD-UHFFFAOYSA-N 410.348 3.382 0 40 HGAB CCOC(=O)[C@H]1[C@H](c2cccc(Cl)c2Cl)NC(=O)N(C)[C@]1(O)C(F)(F)F 8433054 PNSNPZMMVZBGOH-OLUVUFQESA-N 415.195 3.120 0 40 HGAB COc1ccc(NC(=O)COc2cccc3ccc(N4CCOCC4)nc23)cc1OC 8769584 DBESSNJTRMTHSM-UHFFFAOYSA-N 423.469 3.106 0 40 HGAB COc1ccc(-c2ccc(=O)n(CC(=O)Nc3nc4ccccc4s3)n2)cc1OC 10131858 IEOWRGIATQFKNF-UHFFFAOYSA-N 422.466 3.176 0 40 HGAB COCCn1c(SCC(=O)NCCCN(C)c2ccccc2)nc2ccccc21 11490169 FSUMXNQCMXDYAR-UHFFFAOYSA-N 412.559 3.418 0 40 HGAB Cc1ccc(NC(=O)CCNC(=O)c2cccs2)cc1I 12882398 QYQOZXUIWFFLCU-UHFFFAOYSA-N 414.268 3.420 0 40 HGAB C[C@@]1(c2ccccc2)NC(=O)N(NC(=O)c2cccnc2Sc2ccccc2)C1=O 13014694 JRSHNWHQULYKHA-QFIPXVFZSA-N 418.478 3.345 0 40 HGAB CC[C@H](C(=O)Nc1ccc(C(=O)O)cc1)N(c1ccc(C)c(C)c1)S(C)(=O)=O 13716859 TXECMABUSUNLMG-GOSISDBHSA-N 404.488 3.185 0 40 HGAB CS(=O)(=O)Nc1nc(CC(=O)Nc2ccc(Oc3ccccc3)cc2)cs1 13730675 MVKARARIFUUMEE-UHFFFAOYSA-N 403.485 3.488 0 40 HGAB CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1ccccc1C(=O)NCCCOC 14397288 MLBZITJQMVQQMV-FQEVSTJZSA-N 400.475 3.258 0 40 HGAB CCOc1ccc(N2C(=O)C[C@@H](N3CCC(C(=O)Nc4ccccc4)CC3)C2=O)cc1 15470171 PHFLYYXQQTWHEF-OAQYLSRUSA-N 421.497 3.068 0 40 HGAB COc1cccc([C@]2(C)NC(=O)N(NC(=S)Nc3ccc(F)c(Cl)c3)C2=O)c1 16379825 WXHKGCVRSUBHJX-SFHVURJKSA-N 422.869 3.156 0 40 HGAB CCCCCNC(=O)c1sccc1S(=O)(=O)N1CCN(c2ccccc2)CC1 16845515 GYRRNRBVCMLFCG-UHFFFAOYSA-N 421.588 3.179 0 40 HGAB Cc1nc([C@H](Cc2c[nH]c3ccccc23)NC(=O)Cc2cc(F)ccc2F)cc(=O)[nH]1 19240983 OWOOSSXGHPTMIJ-FQEVSTJZSA-N 422.435 3.481 0 40 HGAB CC(C)N1CCC(NC(=O)Cn2cc(C(=O)c3ccc(F)cc3)c3ccncc32)CC1 19447840 NHBXXONVFFYQLN-UHFFFAOYSA-N 422.504 3.395 0 40 HGAB COc1ccc(CN2CCc3c(nc(-c4ccncc4)nc3NCCN(C)C)C2)cc1 19582970 RMFJSTKKTSZRKK-UHFFFAOYSA-N 418.545 3.079 0 40 HGAB COc1ccc(OC)c([C@@H]2CCCN2S(=O)(=O)c2cn(C(F)F)nc2C)c1 19583367 OKBUAPXIBYHCOM-AWEZNQCLSA-N 401.435 3.130 0 40 HGAB CCN(CC)C(=O)CN1CCO[C@@H](c2nccnc2-c2cccc(C(F)(F)F)c2)C1 19693254 FBPCGHJPWJIYHV-QGZVFWFLSA-N 422.451 3.404 0 40 HGAB COc1ccc(-c2cnc(N(C)C)nc2[C@H]2CCCCN2C(=O)c2cnn(C)c2)cc1 19694640 QHGOZZZLVXKSII-HXUWFJFHSA-N 420.517 3.319 0 40 HGAB Cc1noc2nc(-c3ccco3)cc(C(=O)N3CCN(C(=O)c4ccccc4)CC3)c12 22191201 ZUAPMFCXDMELQC-UHFFFAOYSA-N 416.437 3.389 0 40 HGAB C[C@@H](Sc1nc(CN2CCOCC2)nc2ccccc12)C(=O)NC1CCCCC1 22358269 NQOFCZDRIWKOOZ-MRXNPFEDSA-N 414.575 3.392 0 40 HGAB O=C(Cc1ccc(F)cc1)N(CCN1CCOCC1)c1nc2ccc(F)cc2s1 22998561 OYHXWKYIRGVJMB-UHFFFAOYSA-N 417.481 3.482 0 40 HGAB Cc1cc(/C=C/C(=O)N2CCN(Cc3ccncc3)CC2)c(C)n1Cc1ccco1 24573170 XOKCOXQJQBJLFI-AATRIKPKSA-N 404.514 3.499 0 40 HGAB COc1ccccc1NC(=O)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1 24610040 ZYZDFGNXUSBLNE-UHFFFAOYSA-N 406.479 3.015 0 40 HGAB O=C(Nc1ccc(C(=O)N2CCC(C(=O)Nc3ccncc3)CC2)cc1)c1ccco1 24702135 ONRDVMIJCKVJJI-UHFFFAOYSA-N 418.453 3.418 0 40 HGAB Cc1cc(Cl)ccc1NC(=O)c1ccc(CS(=O)(=O)N2CCOCC2)cc1 30847771 BEBWPGUIQGTTCQ-UHFFFAOYSA-N 408.907 3.063 0 40 HGAB Cc1ccc(N2CCN(C(=O)CC[C@@H]3NC(=O)c4ccccc4N=C3O)CC2)c(C)c1 32070208 CEJIFFICWDAOAU-FQEVSTJZSA-N 420.513 3.132 0 40 HGAB C[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1 32612373 PFEOLQKKRPHBOV-OAHLLOKOSA-N 417.893 3.017 0 40 HGAB CC(C)N(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CC[C@H]1Cc2ccccc2NC1=O 32900224 MYVQQQNDCTXUKP-KRWDZBQOSA-N 418.497 3.251 0 40 HGAB CC(C)[C@H](CNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)Nc1ccccc1 32902237 VFIQJPZFVUWWRA-NRFANRHFSA-N 415.559 3.338 0 40 HGAB COc1ccc(-n2nnc(C(=O)NCc3cccc(OC)c3)c2-c2cccnc2)cc1 38487696 PPBRFYNCGCTSCH-UHFFFAOYSA-N 415.453 3.277 0 40 HGAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)O2 38849827 RKEFYKJFZPSSBA-INIZCTEOSA-N 414.405 3.180 0 40 HGAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)O2 38860502 VFPMZJAPDBOWEM-MRXNPFEDSA-N 414.405 3.180 0 40 HGAB COc1ccc([C@@H]2CCCN2C(=O)c2ccc(=O)n(Cc3ccccc3)n2)c(OC)c1 39983245 RDRAOEVAKHUEAN-NRFANRHFSA-N 419.481 3.286 0 40 HGAB CCN(CC)[C@@H](CNC(=O)N1CCN(c2nccs2)CC1)c1cccc(OC)c1 40071230 HCLHSGPNMDXOSM-IBGZPJMESA-N 417.579 3.066 0 40 HGAB O=C(CCC(=O)N1CCC(c2noc3ccc(F)cc23)CC1)NCc1cccnc1 40268162 JGGFAJVIUHMHFA-UHFFFAOYSA-N 410.449 3.165 0 40 HGAB Cc1ccc(OC(=O)CSc2nc(-c3ccccc3)nc3cc(=O)[nH]n23)cc1C 41078213 AMNHURFTKMQRSJ-UHFFFAOYSA-N 406.467 3.399 0 40 HGAB CC(C)COc1ccc(NC(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1Cl 44348357 VWSDGQQAAPEKQR-SFHVURJKSA-N 409.914 3.230 0 40 HGAB COc1ccccc1N1CCN(CC(=O)Nc2ccc(Br)cc2)CC1 57315457 GKZTVLVXPVNXBJ-UHFFFAOYSA-N 404.308 3.218 0 40 HGAB O=C(CNS(=O)(=O)c1cccc(C(F)(F)F)c1)N1CCC[C@H]1C1CCCC1 84380054 VMDOKNTZURCRCZ-INIZCTEOSA-N 404.454 3.165 0 40 HGAB O=C(Nc1ccccc1OC(F)F)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO 84535857 RFSJONJVHKYTDY-DLBZAZTESA-N 405.445 3.293 0 40 HGAB Cc1sc(-c2ccco2)nc1C(=O)N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO 89556201 BJTHURNOIMYEGL-QZTJIDSGSA-N 411.527 3.324 0 40 HGAB COc1ccc([C@](C)(O)[C@H]2CCCN2C(=O)Nc2ccc(C(N)=O)c(Cl)c2)cc1 89904821 OBPICHLUTZHFJA-NQIIRXRSSA-N 417.893 3.352 0 40 HGAB Cc1cc(O)cc(=O)n1CCCC(=O)Nc1ccc2[nH]c(-c3cccnc3)nc2c1 96117726 OCICPCRACORSFW-UHFFFAOYSA-N 403.442 3.220 0 40 HGAB O=C1[C@H]2OC[C@@H](O2)[C@H]2[C@H]1[C@H]1C=Cc3cc(Cl)ccc3N1[C@@H]2C(=O)c1ccccc1 100742767 NSDGRSXHJPOKID-PXMUBOSUSA-N 407.853 3.364 0 40 HGAB biogenic COCCn1/c(=N\C(=O)c2cccc(S(C)(=O)=O)c2)sc2c(C)cc(C)cc21 101041902 YOBZCZCMBFXEAF-QZQOTICOSA-N 418.540 3.111 0 40 HGAB COc1cccc(N2C(=O)[C@@H]3N=NN(c4ccc(Br)c(C)c4)[C@H]3C2=O)c1 101260714 QIUYJCCOYOOSHH-HZPDHXFCSA-N 415.247 3.264 0 40 HGAB C[C@@H](C(=O)NCc1ccccc1Cl)N(c1ccc(F)c(F)c1)S(C)(=O)=O 113957454 GWPBFYJBSSSJOT-NSHDSACASA-N 402.850 3.089 0 40 HGAB Cc1ccccc1OC[C@@H](C)NC(=O)CCCN(c1ccccc1)S(C)(=O)=O 219174141 JBDHJDRJQNEQOF-GOSISDBHSA-N 404.532 3.125 0 40 HGAB S=C1N[C@H](c2ccccn2)[C@H](c2cccn2Cc2cccnc2)N1C[C@@H]1CCCO1 223302512 QVKPNDCMSOKWDZ-BWAGFHJFSA-N 419.554 3.478 0 40 HGAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1Cc1cccnc1 223606259 WSOZLGTVHXNQEQ-YADHBBJMSA-N 421.570 3.298 0 40 HGAB COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(C)cn1 223680065 DRYYFWNSUABZKF-SFTDATJTSA-N 421.526 3.111 0 40 HGAB CSc1cccc(N(CCCC(=O)NCCOc2ccccc2)S(C)(=O)=O)c1 224803007 NGCFLJSTAVPJPS-UHFFFAOYSA-N 422.572 3.150 0 40 HGAB CNC(=O)[C@]1(c2ccccn2)CCCN1Cc1cccc(OCc2ccccn2)c1 257221094 DNKYLFSXUXPPMZ-XMMPIXPASA-N 402.498 3.293 0 40 HGAB COc1cccc(C2=NN(C(=O)CCc3ccccc3O)[C@](O)(C(F)(F)F)C2)c1 408563374 LJUVEFNXABFMDA-LJQANCHMSA-N 408.376 3.221 0 40 HGAB COc1cccc(CNC(=O)c2ccccc2NC(=O)C(=O)N[C@@H]2CCCC[C@H]2C)c1 408710236 UCKDQFRXLMSSPI-OXQOHEQNSA-N 423.513 3.259 0 40 HGAB COc1ccc(OC)c(NC(=O)[C@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)c1 408998252 ASUOFXPOADHRRZ-IBGZPJMESA-N 420.531 3.344 0 40 HGAB COc1ccccc1/C=[N+]1\NC(=O)[C@H](NC(=O)c2cccc(C)c2)[C@@H]1c1ccccc1 409055515 CIUAMOWWHMPKBR-AYHYUOJHSA-O 414.485 3.020 0 40 HGAB CCOc1cc(/C=C2/SC(=O)N(CC(=O)OCC(C)C)C2=O)ccc1OC(C)=O 409200991 KVWKPQXPUVLCJH-RQZCQDPDSA-N 421.471 3.246 0 40 HGAB O=C(NCC1CCN(CC(F)(F)F)CC1)C(=O)Nc1cccc(C(F)(F)F)c1 445166255 UOGTYZUMCKTDBO-UHFFFAOYSA-N 411.346 3.034 0 40 HGAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)Nc1cnn(CC(=O)NC2CCCC2)c1 521234942 HTYGHYAITXLESZ-NSISKUIASA-N 404.555 3.358 0 40 HGAB CC(C)(C)OC(=O)C[C@H]1C[C@@H](CCNC(=O)CCCn2cccc2)OC(C)(C)O1 524732213 LJLWLEKPWCBNGR-QZTJIDSGSA-N 408.539 3.417 0 40 HGAB biogenic O=C(N[C@@H]1CCN(c2ccccn2)C1)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 542409574 TXHPQQRHLSDXOU-RTBURBONSA-N 423.565 3.415 0 40 HGAB CC[C@H]1Oc2cc([C@@H](C)NC(=O)N3CC(=O)Nc4ccccc4C3)ccc2NC1=O 1678256677 AWLSQMOVJITSRV-FZKQIMNGSA-N 408.458 3.021 0 40 HGAB CCn1c(SC)nnc1[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1 1391769 ADGVJYZTJBRVHE-QGZVFWFLSA-N 420.535 3.421 0 40 HGAB C[C@H](NC(=O)OC(C)(C)C)c1nnc(S(=O)(=O)Cc2cccc(Cl)c2)o1 2353553 XISJHPPLFPACMZ-JTQLQIEISA-N 401.872 3.283 0 40 HGAB CCOC(=O)COc1c(OCC)cc(C=O)c(Br)c1Br 2775240 DQUCRQLOPHZFED-UHFFFAOYSA-N 410.058 3.365 0 40 HGAB Cc1cccc(CSc2nc(-c3cccs3)nc3c2c(=O)n(C)c(=O)n3C)c1 4139190 IMNWXKCPOXCRIX-UHFFFAOYSA-N 410.524 3.356 0 40 HGAB O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccccc1)N1CCCCCC1 4603440 JBZAZEXGPGQCLM-UHFFFAOYSA-N 400.544 3.323 0 40 HGAB CCN(CC)CCn1c2c(c(SCC(=O)Nc3ccccc3C)nc1=O)CCC2 4851762 SCBCCSHOXGWFHM-UHFFFAOYSA-N 414.575 3.113 0 40 HGAB CCCOC(=O)c1ccc(NC(=O)COC(=O)c2c(OC)cccc2OC)cc1 5537671 AVYZLXGZGICCKH-UHFFFAOYSA-N 401.415 3.066 0 40 HGAB Cc1cccc(N(C)S(=O)(=O)c2csc(C(=O)Nc3nnc(C)s3)c2)c1 6681189 YFSYXNWWYVSHBA-UHFFFAOYSA-N 408.530 3.294 0 40 HGAB O=C(Nc1ccccc1)c1nc(S(=O)(=O)Cc2ccc(F)cc2)ncc1Cl 6748071 UMRHBHFHUIKSEW-UHFFFAOYSA-N 405.838 3.495 0 40 HGAB COc1ccc(NC(=O)c2nn(-c3ccccc3C(F)(F)F)c(C)cc2=O)cn1 7848948 ONUOJABADGUNLR-UHFFFAOYSA-N 404.348 3.216 0 40 HGAB Cc1ccc(NC(=O)CN(C)C(=O)CN(Cc2cccs2)C[C@H]2CCCO2)cc1 7927402 LLAAZJHMCVBDNU-LJQANCHMSA-N 415.559 3.135 0 40 HGAB CCOc1ccccc1N1C[C@@H](C(=O)OCC(=O)Nc2cccc(C)c2C)CC1=O 8039814 GQYRJKVYCKRQMA-KRWDZBQOSA-N 410.470 3.237 0 40 HGAB CC(C)[C@@H](NC(=O)CCCN1C(=O)c2ccccc2C1=O)c1ccc2c(c1)OCCO2 8124434 WCRLYBJASSFDHD-JOCHJYFZSA-N 422.481 3.348 0 40 HGAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CSc1nc2ncc(Cl)cc2[nH]1 8425036 RLACYWGOYXPPDE-JTQLQIEISA-N 401.879 3.467 0 40 HGAB C[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)NCCC1=CCCCC1 9227679 GZOGIVURKSXYOL-ZDUSSCGKSA-N 415.353 3.123 0 40 HGAB C[C@@]1(c2cc3ccccc3o2)NC(=O)N(CC(=O)N2CCCc3ccccc32)C1=O 9532567 QRHDIQWGINBKJD-QHCPKHFHSA-N 403.438 3.179 0 40 HGAB CC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)/C=C/c2ccc3c(c2)OCO3)cc1 10000394 LHLYSFOINCERLP-RKXVYHDYSA-N 402.472 3.144 0 40 HGAB CCc1ccccc1-n1c(-c2ccc(F)cc2)cn2c3c(=O)[nH]c(=O)n(C)c3nc12 10104485 WLOCDSWSIHKKHU-UHFFFAOYSA-N 403.417 3.034 0 40 HGAB O=C(NC1CCN(C(=O)COCc2nc3ccccc3s2)CC1)c1ccccc1 10782156 QLMVLAJHFMZSDZ-UHFFFAOYSA-N 409.511 3.234 0 40 HGAB COc1ccc(CCC(=O)N2CCN(c3ccc(-c4ccccc4)nn3)CC2)cc1 11695226 CDDDKSZJRGHJQU-UHFFFAOYSA-N 402.498 3.434 0 40 HGAB COc1cc(CN2CCC(c3cc(C(F)(F)F)n4ncnc4n3)CC2)ccc1O 12327809 XLHAWOFHWXCVPD-UHFFFAOYSA-N 407.396 3.237 0 40 HGAB C[C@@H](OC(=O)C[C@H]1Sc2ccccc2NC1=O)C(=O)N1CCCc2ccccc21 12425270 UMMWHCKZLUUJDW-AUUYWEPGSA-N 410.495 3.401 0 40 HGAB COC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(Sc3nccn3C)cc2)c1 12520374 AEFYCIDXDCTXNZ-UHFFFAOYSA-N 417.512 3.467 0 40 HGAB Cc1cc(Br)ccc1SCC(=O)Nc1ccc(-n2cncn2)nc1 12537037 BVFGZUSWZBRGHU-UHFFFAOYSA-N 404.293 3.464 0 40 HGAB CCn1c2ccccc2c2cc(N[C@H](C)C(=O)N(C)[C@@H]3CCS(=O)(=O)C3)ccc21 12561485 MIVYRIAPGACNEY-NVXWUHKLSA-N 413.543 3.260 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCCc4ccccc43)CC2)cc1 12977140 URCCGCMWUNMJKG-UHFFFAOYSA-N 414.527 3.075 0 40 HGAB O=C(CSc1nnnn1C1CCCCC1)NCc1ccccc1OC(F)(F)F 12988866 WVCLDNABXJBXJH-UHFFFAOYSA-N 415.441 3.485 0 40 HGAB C[C@@H](NC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O)c1ccccc1Br 12994730 YFDVAAKNFDCMDM-GFCCVEGCSA-N 423.332 3.262 0 40 HGAB O=C(O)C[C@H](NC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1)c1ccccc1 13427712 ORGIHWSJLOZOTK-VIOKTNGOSA-N 406.482 3.271 0 40 HGAB COc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1NC(=O)c1ccc(Cl)cc1 13566420 MNGXWRWXSZRAQF-OAHLLOKOSA-N 424.906 3.058 0 40 HGAB CCOC(=O)c1ccc(NC(=O)[C@H](CC)N(c2ccccc2)S(C)(=O)=O)cc1 13711079 XGKGEEUBVKXXSZ-SFHVURJKSA-N 404.488 3.047 0 40 HGAB CCOc1ccc2nc(NC(=O)CSc3nnc(NC(C)=O)s3)sc2c1 13945455 PFEGFJBTYHDYAQ-UHFFFAOYSA-N 409.518 3.236 0 40 HGAB CCN1CCN(C(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)cc3C)c2)CC1 14155369 OMUMCORLTASQKU-UHFFFAOYSA-N 415.559 3.190 0 40 HGAB COc1ccccc1N(CC(=O)NCCC(C)C)S(=O)(=O)c1ccc(C)cc1 14357078 UGLLOHMLZLAJFR-UHFFFAOYSA-N 404.532 3.361 0 40 HGAB COc1ccccc1[C@@H](C)NC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 15471882 LAEADSDOUQCTLW-MRXNPFEDSA-N 402.516 3.361 0 40 HGAB CCn1cc2nc(SCC(=O)Nc3ccccc3)n(Cc3ccccc3)c(=O)c2n1 15731450 QTIIRQMBTJMYNI-UHFFFAOYSA-N 419.510 3.392 0 40 HGAB O=C(Nc1ccccc1N1CCCC1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 18839532 PRENLDQUNYEQPD-MRXNPFEDSA-N 407.470 3.050 0 40 HGAB Cc1ccc(-n2ncc3c2CCC[C@@H]3NC(=O)CCN2C(=O)CSC2=O)cc1C 19214358 CLLLRTZUFJHEGJ-KRWDZBQOSA-N 412.515 3.068 0 40 HGAB Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)N1CCCC[C@H]1C)CC1(CCN(C)CC1)O2 19218366 XYFMLXJANBFNIQ-RTBURBONSA-N 413.562 3.084 0 40 HGAB Cn1ccnc1[C@H](c1ccccc1)N1CCN(C(=O)CCCN2CCCCCC2)CC1 19291303 LEELCKUQNZEUOK-DEOSSOPVSA-N 423.605 3.310 0 40 HGAB COc1ccc([C@H]2c3nc[nH]c3CCN2C(=O)c2ccc(N3CCOCC3)cc2)cc1 19660154 CFYPYQKUZQIKFO-QHCPKHFHSA-N 418.497 3.043 0 40 HGAB COCC(=O)N1CCCC[C@H]1c1nc(C)c2c(n1)N(CCc1ccccc1)CCC2 19706223 KXKQVIWSMLDTLB-NRFANRHFSA-N 408.546 3.480 0 40 HGAB COc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H](C)c2ccc(Cl)cc2)cc1C 20013671 UFZGKCLDBYCBPX-CQSZACIVSA-N 410.923 3.155 0 40 HGAB Cc1cc(S(=O)(=O)NCC(C)C)ccc1OCC(=O)Nc1ccc(F)c(F)c1 20021560 OTFSLVQFIWAXMU-UHFFFAOYSA-N 412.458 3.225 0 40 HGAB COc1ccc(N(C)S(C)(=O)=O)cc1C(=O)N[C@H](C)c1ccc(SC)cc1 20030193 HQIMWCZTZYMXQY-CYBMUJFWSA-N 408.545 3.304 0 40 HGAB Cc1cc(C)cc(OCc2nnc(S[C@@H](C)C(=O)N(C(C)C)C(C)C)n2N)c1 21628562 UTUIIMBCHOOBSQ-INIZCTEOSA-N 405.568 3.314 0 40 HGAB COC(=O)c1ccccc1NC(=O)C[C@@H]1CCCCN1S(=O)(=O)c1cccs1 22732278 XPHUOOOKZCJXPF-AWEZNQCLSA-N 422.528 3.107 0 40 HGAB CCOc1cc(CN(CC)CC(=O)NC(=O)NC)ccc1OCc1cccs1 24979946 GKGPXLZLVXAXQA-UHFFFAOYSA-N 405.520 3.003 0 40 HGAB CC(C)c1ccc(-c2nc(C(=O)N3CCC[C@@H](NS(C)(=O)=O)C3)cs2)cc1 29199986 KDHHDAUNQGMCRI-MRXNPFEDSA-N 407.561 3.087 0 40 HGAB C[C@@H](NC(=O)OCc1ccccc1)C(=O)Nc1nc2cc3c(cc2s1)OCCO3 32882752 QDLBVHXCMDTGKN-GFCCVEGCSA-N 413.455 3.321 0 40 HGAB COc1ccc(-c2ccc(S(=O)(=O)N[C@H](Cc3ccccc3)C(=O)O)cc2)cc1 36293948 NJVPJBMOTUQITQ-OAQYLSRUSA-N 411.479 3.336 0 40 HGAB COc1ccc([C@H]2CC(O)=Nc3nc(N4CCCCC4)sc32)cc1OCC(N)=O 36366876 AJNHIFUURWIGLZ-CYBMUJFWSA-N 416.503 3.130 0 40 HGAB O=C(CN1CCN(C(=O)Cc2ccccc2Cl)CC1)Nc1ccccc1Cl 36446973 NBMKVZRMQAGVCG-UHFFFAOYSA-N 406.313 3.319 0 40 HGAB CC(=O)c1ccc(NC(=O)CCn2c(=O)cc(C(F)F)c3c(C)n(C)nc32)cc1 36621534 HIOHDEXEULCMNF-UHFFFAOYSA-N 402.401 3.212 0 40 HGAB Cc1ccc2c(c1)CCCN2CC(=O)N[C@H](C)[C@@H](c1ccccc1)N1CCOCC1 37185780 JIHGGXHJWGMNAV-NLFFAJNJSA-N 407.558 3.326 0 40 HGAB COC(=O)c1ccc(NC(=O)c2cn(-c3ccccc3Br)nn2)cc1 40073373 LPCYZWFUMLIFOO-UHFFFAOYSA-N 401.220 3.069 0 40 HGAB Cc1oc(C(=O)N(Cc2ccc(F)cc2)C2CC2)cc1S(=O)(=O)N1CCCC1 40131587 ANMMQEPRHFHHGF-UHFFFAOYSA-N 406.479 3.316 0 40 HGAB COc1coc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1=O 40284482 BHWLXGZADWPYGK-UHFFFAOYSA-N 404.466 3.196 0 40 HGAB CCOC(=O)c1cc(NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)ccc1Cl 44949976 FTMHVMYZWGWEID-UHFFFAOYSA-N 410.879 3.165 0 40 HGAB O=C(Nc1cccc(CN2C(=O)CNC2=O)c1)c1ccc(C2SCCS2)cc1 46360989 XZMQHQAXXBUNIR-UHFFFAOYSA-N 413.524 3.469 0 40 HGAB COc1cc([C@@H](C)NC(=O)N(C)Cc2ccc3c(c2)OCCO3)cc(OC)c1OC 46627363 GKDZHWFAKJFCTE-CQSZACIVSA-N 416.474 3.386 0 40 HGAB CCN(CCc1ccccn1)C(=O)CCc1c(C)nc2nc(C(F)(F)F)nn2c1C 48309049 YIEPSSHSRMAIFG-UHFFFAOYSA-N 420.439 3.179 0 40 HGAB Cc1ccc(-n2cc(C(=O)N3CCC(NC(=O)c4cc(C)cc(C)c4)CC3)nn2)cc1 49405999 PXBYTIMNUGACAI-UHFFFAOYSA-N 417.513 3.227 0 40 HGAB Cc1ccc(NC(=O)CN2CN(c3ccccc3)c3ncccc3S2(=O)=O)cc1C 49411379 AUSZCMYUEHBLHL-UHFFFAOYSA-N 422.510 3.437 0 40 HGAB Cc1nc(-c2ccccc2)cc(N2CCN(S(=O)(=O)c3cccs3)CC2)n1 49597419 SXUDLGWLPKYBDX-UHFFFAOYSA-N 400.529 3.024 0 40 HGAB CCCN(Cc1nnc(-c2ccco2)o1)[C@H](C(=O)N1CCOCC1)c1ccccc1 57442656 CPIIBZYYIZSFAW-FQEVSTJZSA-N 410.474 3.142 0 40 HGAB CN(C[C@@H](O)COCc1ccc2c(c1)OCO2)c1ncc(C(F)(F)F)cc1Cl 57994826 ZNLOAXGOJSEOFU-CYBMUJFWSA-N 418.799 3.496 0 40 HGAB O=C(C1CN(C(c2ccccc2)c2ccccc2)C1)N1CCN(c2ccccn2)CC1 71280911 KUNACLVHRQRFKQ-UHFFFAOYSA-N 412.537 3.452 0 40 HGAB C[C@H]1CN(CCNC(=O)c2cccc(-n3nccc3-c3ccccc3)c2)C[C@@H](C)O1 71827305 LEHWUEGVPLZKRU-KDURUIRLSA-N 404.514 3.378 0 40 HGAB C[C@H](NC(=O)c1cccc(NS(C)(=O)=O)c1)c1nc(-c2ccc(Cl)cc2)no1 72303651 XYYLDQWTDHHWGV-NSHDSACASA-N 420.878 3.253 0 40 HGAB Cc1sc2nc(C3CC3)n(C3CCN(C(=O)[C@@H]4CCCO4)CC3)c(=O)c2c1C 72335678 NFWMDHSDZSLREH-INIZCTEOSA-N 401.532 3.295 0 40 HGAB CNc1nc([C@@H]2CCCCN2C(=O)CCc2ccccc2F)nc2c1CN(C)CC2 72372330 FBLMWOALAYOFEP-FQEVSTJZSA-N 411.525 3.332 0 40 HGAB O=C(Nc1cccc(OCCN2CCOCC2)c1)c1cc(-c2ccc(F)cc2)on1 72392178 HZFKADFOQGFZHC-UHFFFAOYSA-N 411.433 3.444 0 40 HGAB O=C(Nc1nc2c(s1)CN(S(=O)(=O)/C=C/c1ccccc1)CC2)c1ccoc1 90582837 LWLZVHFTPHRTPI-DHZHZOJOSA-N 415.496 3.347 0 40 HGAB O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@@H]2C1=O)Nc1cc(C(F)(F)F)ccc1Cl 101014982 KPVZEGGTGDZPLT-FZTCLAKQSA-N 424.806 3.350 0 40 HGAB COc1ccccc1[C@H]1CC(=O)N(c2ccc(I)cc2)C1=O 101376821 WHIKRTPJRDGVMB-CQSZACIVSA-N 407.207 3.347 0 40 HGAB O=C(Nc1ccccc1)[C@H](Cc1ccccc1)N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O 102086326 WHSWQTACPBUGIX-FNGVLVINSA-N 412.489 3.290 0 40 HGAB C[C@H]1CCC[C@@H](NC(=O)c2cccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)c2)[C@H]1C 108926287 VQDDBDIDHFCTEY-HAJKQMQPSA-N 408.564 3.039 0 40 HGAB C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2[C@H](O)C[C@]2(C)[C@@H](c3ccc(=O)oc3)C[C@@H](O)[C@@H]12 118928237 BOZCCNBSFTVVSL-PXNFJPRSSA-N 402.531 3.069 0 40 HGAB COc1ccc(OC)c(NC(=O)c2ccc(N3C(=O)[C@H]4[C@H]5CC[C@@H](C5)[C@@H]4C3=O)cc2)c1 207516654 LFYXXXIUAYOBPF-PBFVBANWSA-N 420.465 3.492 0 40 HGAB COc1ccc(CN(C)C(=O)CCCN(c2ccc(C)cc2)S(C)(=O)=O)cc1 219624691 SNGITGCXOPVFEN-UHFFFAOYSA-N 404.532 3.208 0 40 HGAB CSc1cccc(N(CC(=O)NCCCc2ccc(C)cc2)S(C)(=O)=O)c1 220071292 FEJFUTHDQGHKNL-UHFFFAOYSA-N 406.573 3.232 0 40 HGAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1nccs1 223606852 VAPMVJUBBRUSJO-ROUUACIJSA-N 413.572 3.301 0 40 HGAB COc1ccccc1[C@H](C)NC(=O)CN(c1ccc(C(C)C)cc1)S(C)(=O)=O 223822258 MAZYCLJXZIJCGO-INIZCTEOSA-N 404.532 3.462 0 40 HGAB CC[C@H](C(=O)NCCc1ccc(Cl)cc1)N(c1ccc(F)cc1)S(C)(=O)=O 224308738 QTXMUAVDNYLUDO-GOSISDBHSA-N 412.914 3.383 0 40 HGAB CCN(c1ccc(Cl)c(C(=O)OC)c1)S(=O)(=O)c1ccc(NC(C)=O)cc1 224901973 QSIAZZSGCNBSDX-UHFFFAOYSA-N 410.879 3.300 0 40 HGAB COc1ccc(S(=O)(=O)N(CC(=O)O)c2cccc(Cl)c2Cl)cc1F 225114954 ZCBORCFPPNLOAT-UHFFFAOYSA-N 408.234 3.421 0 40 HGAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@H](c1ccccc1)N(C)S(C)(=O)=O 260843339 QRXNHYRPAAYRBB-ICSRJNTNSA-N 416.543 3.346 0 40 HGAB Fc1ccc(CN2CCO[C@@H](Cn3nnc4c(Nc5ccccc5)ncnc43)C2)cc1 306129365 IBIZQYBUGPVOIO-LJQANCHMSA-N 419.464 3.005 0 40 HGAB CC(=O)c1ccc(NS(=O)(=O)c2cccc(N3C(=O)c4ccccc4C3=O)c2)cc1 408720922 BCAWPCAPGUYLKK-UHFFFAOYSA-N 420.446 3.491 0 40 HGAB COc1ccc(C2=NN(C(=O)COc3ccc(F)cc3)[C@@](O)(C(F)(F)F)C2)cc1 409358599 MDWYZWQCJUWGFQ-SFHVURJKSA-N 412.339 3.101 0 40 HGAB CC(C)C[C@@H](O)C(=O)N1CCC[C@]2(CCCN2c2ncnc3ccsc23)CC1 585100850 YQZRYVQCECSOMQ-UTKZUKDTSA-N 402.564 3.450 0 40 HGAB Cn1nccc1-c1cncc(CNS(=O)(=O)Cc2cccc(C(F)(F)F)c2)c1 585402624 ZQIKQCPFADIAEW-UHFFFAOYSA-N 410.421 3.121 0 40 HGAB CS(=O)(=O)N1CCC[C@H](c2nnc3sc(/C=C/c4ccccc4Cl)nn23)C1 1501040238 HPRHJHKDIWVMPG-XEHSLEBBSA-N 423.951 3.149 0 40 HGAB CNC(=S)N(Cc1ccc2c(c1)OCO2)Cc1cc2cc(C)c(C)cc2[nH]c1=O 879037 PPAOGBYHQSMVQS-UHFFFAOYSA-N 409.511 3.380 0 40 HGAB O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cc2ccccc2oc1=O 909554 SYDRGLXKKMULAO-UHFFFAOYSA-N 412.467 3.220 0 40 HGAB CCC(C)(C)n1nnnc1[C@@H](c1cc2cc(OC)ccc2[nH]c1=O)N1CCCCC1 910852 BDVCVWOSWRJBLA-LJQANCHMSA-N 410.522 3.244 0 40 HGAB C[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 921120 WGQZTJXEISBSNP-VQIMIIECSA-N 414.593 3.108 0 40 HGAB COc1cc(-c2nnn(CC(=O)N3CCC[C@H](C)C3)n2)ccc1OCc1ccccc1 924198 POGJMWGEWBAYBH-KRWDZBQOSA-N 421.501 3.186 0 40 HGAB O=C(COc1ccccc1)NC(=S)Nc1ccc2nn(-c3ccccc3)nc2c1 977649 UROHZWSSQUKDMX-UHFFFAOYSA-N 403.467 3.313 0 40 HGAB COc1ccc(Cl)cc1NC(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 1324762 MVIYDBZQTDEDLO-HNNXBMFYSA-N 424.906 3.058 0 40 HGAB Cn1c2ccc(Br)cc2c2nnc(SCC(=O)NC(C)(C)C)nc21 1366235 CEYLCCHCOHRTKR-UHFFFAOYSA-N 408.325 3.286 0 40 HGAB COCCOC(=O)C1=C(C)N=C2S[C@@H](C)C(=O)N2[C@@H]1c1ccc(SC)cc1 2247878 SBKARQONJQJSBQ-BLLLJJGKSA-N 406.529 3.247 0 40 HGAB CC(C)Cc1nc2oc3c(N(C[C@H](C)O)C[C@H](C)O)ncnc3c2c2c1CCCC2 2431560 JQSTUMKTULWGSB-GJZGRUSLSA-N 412.534 3.416 0 40 HGAB CC(=O)Nc1ccc(S(=O)(=O)N2CCN=C2SCc2cccc(C)c2)cc1 2711592 LVBGDMNKSROQPE-UHFFFAOYSA-N 403.529 3.247 0 40 HGAB Cc1cc(NC(=O)CSc2nnc(-c3cccnc3)n2Cc2ccccc2)no1 3386425 NTIXJUBKZOQKHR-UHFFFAOYSA-N 406.471 3.416 0 40 HGAB Cc1cccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCc2ccccc2C)c1 4061367 VNQKQLPPSOKQRF-UHFFFAOYSA-N 419.510 3.144 0 40 HGAB COc1ccc([C@@H]2c3c([nH]c(=O)[nH]c3=O)Nc3ccc4ccccc4c32)cc1OC 4459143 PGUDQFZDQCLXMT-SFHVURJKSA-N 401.422 3.471 0 40 HGAB Cc1nc2sc3c(c2c2nnc(SCC(=O)N4CCCC4)n12)CC[C@H](C)C3 4848047 FJUJZOPEEHYXRF-NSHDSACASA-N 401.561 3.487 0 40 HGAB CCc1ccc(N2C(=O)[C@H]3[C@@H]4CCCN4[C@H](C(=O)c4ccc(C)cc4)[C@@H]3C2=O)cc1 5321575 ONUBWOOSJJPPIG-KJJMTIBFSA-N 402.494 3.393 0 40 HGAB COc1cc2c(cc1OC)CN(C(=O)COc1ccc3c(C)cc(=O)oc3c1)CC2 5630934 ZEGDHFAMYQRRHS-UHFFFAOYSA-N 409.438 3.082 0 40 HGAB biogenic CCc1ccccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 5878542 NXRQCPFYEZOPLV-OAHLLOKOSA-N 400.862 3.437 0 40 HGAB Cc1nnnn1/C(=C\c1ccccc1)C(=O)OCC(=O)c1cc(C)n(C2CC2)c1C 6180039 NUOFOTNGUMFPFS-NDENLUEZSA-N 405.458 3.159 0 40 HGAB COc1ccc2nc(C)cc(N3CCN(S(=O)(=O)c4cccs4)CC3)c2c1 6510454 HRVJXFKHYGWSQS-UHFFFAOYSA-N 403.529 3.124 0 40 HGAB Cc1c(OCC(=O)NC[C@H](O)c2ccccc2)ccc2c3c(c(=O)oc12)CCCC3 6659081 ZIJOIVQGQLSDPR-FQEVSTJZSA-N 407.466 3.209 0 40 HGAB CC(C)C[C@H](NC(=O)N1CCn2c1nc1ccccc12)C(=O)NCc1ccc(F)cc1 6669552 BGPSWRKOUYECIA-IBGZPJMESA-N 423.492 3.436 0 40 HGAB CCOc1ccc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCCO)cc1OC 6752884 BUIFQZJEFWHKGS-JOCHJYFZSA-N 423.469 3.117 0 40 HGAB Cc1cc(C)c2c(=O)cc(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)oc2c1 6811301 BCRMRAJXYAPURQ-UHFFFAOYSA-N 403.438 3.460 0 40 HGAB COc1ccc(C)cc1S(=O)(=O)N1CCC[C@H](C(=O)N[C@@H](C)c2ccccc2)C1 6844651 YYYGMHMGFJVETH-HKUYNNGSSA-N 416.543 3.282 0 40 HGAB COc1ccc(CNC(=O)CSc2ncnc3sc(C)c(C)c23)cc1C(=O)O 7007791 SALUNCGCFCPLFY-UHFFFAOYSA-N 417.512 3.423 0 40 HGAB Cc1ccc(NC(=O)CN2C[C@@H](C(=O)N3CCCCC3)Oc3ccccc32)c(F)c1 7252023 ZJVXYEUUAYRXRA-NRFANRHFSA-N 411.477 3.353 0 40 HGAB Cc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccc(F)cc3)CC2=O)cc1Cl 7940060 DNIOGSOGYRBHDG-CYBMUJFWSA-N 404.825 3.322 0 40 HGAB CC(=O)c1cccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)c1 8039918 NXRNSVCMGSHGPS-HNNXBMFYSA-N 414.845 3.077 0 40 HGAB O=C(NCCSc1ccccc1)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 8361403 BSOPLXDNOQDNBJ-INIZCTEOSA-N 422.547 3.135 0 40 HGAB CCOC(=O)c1ccc2c(c1)nc(S[C@@H](C)C(=O)NC[C@H]1CCCO1)n2CC 8394235 ACJOROOCLGTNDV-DZGCQCFKSA-N 405.520 3.009 0 40 HGAB COc1ccc(NC(=O)Cc2c(C)c3c(OC)cc(OC)cc3oc2=O)c(OC)c1 8490501 VBSSTLJSARQNHH-UHFFFAOYSA-N 413.426 3.317 0 40 HGAB COC(=O)c1cc(NC(=O)C2CCN(Cc3ccccc3C)CC2)cc(C(=O)OC)c1 9062971 NHDKAMIYGKGBIN-UHFFFAOYSA-N 424.497 3.419 0 40 HGAB Cc1ccc(-n2nnnc2SCC(=O)N2CCS[C@H]2c2ccccc2F)cc1 9366589 XDYZTKXOQUPUQQ-SFHVURJKSA-N 415.519 3.476 0 40 HGAB O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(N2CCOCC2)cc1)c1ccco1 9469486 CGVORVGLKARWTL-NRFANRHFSA-N 419.481 3.096 0 40 HGAB COC(=O)c1c(NC(=O)c2cccc(NS(C)(=O)=O)c2C)sc2c1CCCC2 10112793 QYDNKKCABRJWQD-UHFFFAOYSA-N 422.528 3.346 0 40 HGAB COc1ccc(-c2nn3cnnc3s2)cc1NC(=O)c1ccc(OC)c(OC)c1 10119854 FBTQXFGDYBJDIQ-UHFFFAOYSA-N 411.443 3.131 0 40 HGAB COc1ccc(N([C@H](C)C(=O)N2CCCc3ccccc32)S(C)(=O)=O)cc1Cl 10449617 SDHJWSINVAYCDI-CQSZACIVSA-N 422.934 3.483 0 40 HGAB COc1cc(Cl)c(NC(=O)CCN2C(=O)[C@H](C)Oc3ccccc32)cc1OC 10592601 PZGNNBIBXHYRLZ-LBPRGKRZSA-N 404.850 3.500 0 40 HGAB COCCN(Cc1cccs1)C(=O)CSc1nnnn1-c1ccc(Cl)cc1 10882130 XBRZIETWWGLDEK-UHFFFAOYSA-N 423.951 3.145 0 40 HGAB O=C(Cn1c(=O)oc2cc(S(=O)(=O)N3CCCCCC3)ccc21)c1ccccc1 11689598 PXQGYNPRUMVAEK-UHFFFAOYSA-N 414.483 3.042 0 40 HGAB COC(=O)c1cccc(NC(=O)c2ccc(Cl)c(N3CCCCS3(=O)=O)c2)c1 12195168 SWPWEUDJDHKAKR-UHFFFAOYSA-N 422.890 3.309 0 40 HGAB Cc1ccn2cc(C(=O)N3C[C@H](C(=O)N4CCCCC4)Oc4ccccc43)nc2c1 12506272 SXBWRPINSYOXQQ-HXUWFJFHSA-N 404.470 3.063 0 40 HGAB CN(C[C@@H]1COc2ccccc2O1)C(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 12589938 UCOCRBQMHLYPHS-IEBWSBKVSA-N 409.486 3.229 0 40 HGAB CC[C@@H](C)[C@@H](C(=O)OCc1cccc(C(=O)OC)c1)N1C(=O)c2ccccc2C1=O 12764768 KFGAQDSOZDQRLU-KUHUBIRLSA-N 409.438 3.227 0 40 HGAB CCn1c(=O)c(C)nc2cc(C(=O)N3CCC([C@@H](O)c4ccccc4)CC3)ccc21 12978447 URRDIZXSMYTDOX-QFIPXVFZSA-N 405.498 3.311 0 40 HGAB COC(=O)c1ccc(S(=O)(=O)N2CCCN(Cc3ccc(Cl)cc3)CC2)cc1 14098410 LFSIULLQNUFYRF-UHFFFAOYSA-N 422.934 3.023 0 40 HGAB CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccccc2N2CCCCC2)C1=O 15933665 OLJRJQDLPSPQSQ-XMMPIXPASA-N 420.513 3.473 0 40 HGAB Cn1nccc1C(=O)N1CCC[C@@](Cc2ccccc2-c2cccs2)(C(N)=O)C1 19289107 KHYPNAXXJAHZEE-QFIPXVFZSA-N 408.527 3.099 0 40 HGAB O=C(Cn1c(=O)oc2ccc(Cl)cc21)Nc1ccccc1OCCn1cccn1 19350019 MXSDBHXQSNPASY-UHFFFAOYSA-N 412.833 3.162 0 40 HGAB CSc1nc2ccc(NC(=O)CN(C)S(=O)(=O)c3cccs3)cc2s1 19597598 QEHZNTQUNROFMH-UHFFFAOYSA-N 413.571 3.339 0 40 HGAB COc1ccc(-c2nc(C3CCN(Cc4cnc(C)s4)CC3)[nH]c2C(N)=O)cc1 19698854 DCJZEZRMSLCLJP-UHFFFAOYSA-N 411.531 3.329 0 40 HGAB CCn1cnc2sc(C(=O)NCc3cccc(CN4CCCC4)c3)c(C)c2c1=O 19717349 BQKLDHFYQUWLRF-UHFFFAOYSA-N 410.543 3.312 0 40 HGAB COc1ccc([C@@H](CNC(=O)c2ccc(Br)cc2)N2CCOCC2)cc1 19897826 GPVWUNUVORSIHW-LJQANCHMSA-N 419.319 3.261 0 40 HGAB biogenic CCN(c1cc(OC)c(OC)cc1C(=O)Nc1cc(C)ccc1OC)S(C)(=O)=O 22252064 UPDVSLGZGLUDNW-UHFFFAOYSA-N 422.503 3.059 0 40 HGAB CC(=O)c1cccc(NC(=O)CN(c2ccc(OC(C)C)cc2)S(C)(=O)=O)c1 22392138 DSVXKKVSFWEDIG-UHFFFAOYSA-N 404.488 3.081 0 40 HGAB Cc1ccc(S(=O)(=O)N(Cc2cccc(Cl)c2)C(=O)N2CCN(C)CC2)cc1 22996892 GQAJMBHUVVIJCR-UHFFFAOYSA-N 421.950 3.207 0 40 HGAB CCc1ccc(N2C[C@@H](C(=O)N(C)CC(=O)Nc3c(C)cccc3C)CC2=O)cc1 24592979 YZGPZVBSXLPIHT-IBGZPJMESA-N 407.514 3.316 0 40 HGAB CC(=O)c1ccc(N2CCN(Cn3nc(CN4CCCCC4)oc3=S)CC2)cc1 25046579 QIMFBSWTSODKTD-UHFFFAOYSA-N 415.563 3.174 0 40 HGAB Cc1nn(C)c(C)c1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@H](C)C2)c1 27156493 DZZUZEDKMCAILG-LBPRGKRZSA-N 424.954 3.363 0 40 HGAB Cc1ccc(C(=O)N2CCN(c3cc(NCc4ccc(F)cc4)ncn3)CC2)cc1 27583643 HOYOWIIAPDMHIG-UHFFFAOYSA-N 405.477 3.499 0 40 HGAB O=C(N[C@@H](c1ccccc1)c1ccccn1)c1cccc(S(=O)(=O)NC2CC2)c1 29713694 YAWVSYALTSTTDV-NRFANRHFSA-N 407.495 3.042 0 40 HGAB COc1ccc(C(=O)NCc2ccc(-c3nn4c(C)nnc4s3)cc2)cc1OC 32642748 BBAJHLJXZGQWRI-UHFFFAOYSA-N 409.471 3.108 0 40 HGAB Cc1nc(COc2ccccc2C(=O)Nc2ccc(C(=O)N3CCCC3)cc2)no1 32906526 UFLHHUQJJVGUBC-UHFFFAOYSA-N 406.442 3.445 0 40 HGAB O=[S@@](CCSc1nnc(N2CCOCC2)n1-c1ccccc1)c1ccccc1 32931623 NTJYPGBXFMXJAE-MUUNZHRXSA-N 414.556 3.004 0 40 HGAB CCCc1nnc(S)n1CC(=O)NCc1ccccc1CN1CCC(C)CC1 36391233 ZXHXPRMVNNJXNM-UHFFFAOYSA-N 401.580 3.068 0 40 HGAB CC[C@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)N2CCc3ccccc3C2)C1=O 36876093 QQJYLJXQFDDAHF-JOCHJYFZSA-N 411.889 3.082 0 40 HGAB O=C(Cn1c(=O)cnc2ccccc21)N1CCCc2cc(OC(F)(F)F)ccc21 40090421 UNVVPNWFLFHYKX-UHFFFAOYSA-N 403.360 3.275 0 40 HGAB O=C(Nc1ccc2c(c1)OC(F)(F)O2)N1CCC(c2nnc3ccccn23)CC1 40104170 JHXZPIVAFUIRBG-UHFFFAOYSA-N 401.373 3.462 0 40 HGAB CC(C)c1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCCC[C@@H]4C)[nH]c(=O)c32)cc1 40389006 FIPMOWCVNGAYCI-YOEHRIQHSA-N 423.517 3.337 0 40 HGAB CCc1ccc(C(=O)Nc2c(C)cc(C)cc2C)cc1S(=O)(=O)N1CCOCC1 43739388 FAIKIFOEKQAUNW-UHFFFAOYSA-N 416.543 3.447 0 40 HGAB Cc1ccc(C)c([C@@H](C)NC(=O)[C@@H]2CCN(S(C)(=O)=O)c3ccccc3O2)c1 44905945 DKPQIWUPSKKILC-UZLBHIALSA-N 402.516 3.098 0 40 HGAB CSc1nc2nc(C)c(CCC(=O)NCCOc3c(C)cccc3C)c(C)n2n1 48362573 WHNUGQILCNAIKA-UHFFFAOYSA-N 413.547 3.208 0 40 HGAB CC(C)C[C@@H](NC(=O)N(C)CCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)N(C)C 52549760 JXVWMBXIAZIWIS-HXUWFJFHSA-N 417.529 3.293 0 40 HGAB O=C(O)COc1ccccc1[C@@H]1Nc2ccccc2S(=O)(=O)N1Cc1ccccc1 57473546 YOWQDYJXQURDSD-JOCHJYFZSA-N 424.478 3.465 0 40 HGAB CCOC(=O)[C@H](CNS(=O)(=O)c1c(C)cc(OC)cc1C)Cc1ccccc1 58029844 JSCMGHZMWXDDEG-SFHVURJKSA-N 405.516 3.012 0 40 HGAB C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N1CCC(CN(C)Cc2ccccc2)CC1 60377485 BFMPROPBLIXKCV-QGZVFWFLSA-N 421.545 3.027 0 40 HGAB NC(=O)c1cccc(-c2cccc([C@H]3CCCN(C(=O)Cc4ccccn4)C3)n2)c1 72349476 JLVRZWCCWGDKCA-IBGZPJMESA-N 400.482 3.191 0 40 HGAB CCOc1ncc([C@]2(O)CC[C@H]3CN(Cc4ccc(F)c(F)c4)C[C@H]32)c(OCC)n1 72392648 XCEPVPSBQKYNIW-LBUQITIBSA-N 419.472 3.282 0 40 HGAB O=C(CCN1C(=O)CC2(CCCC2)C1=O)NCCc1nc(-c2ccccc2)cs1 79495453 DUCXXPOMWWVLLH-UHFFFAOYSA-N 411.527 3.178 0 40 HGAB O=C(O)c1cc(F)c(Br)c(S(=O)(=O)Nc2ccc(F)cc2F)c1 96011302 PAULGGGQYUGCEF-UHFFFAOYSA-N 410.167 3.365 0 40 HGAB O=S(=O)(c1cccs1)N1CCC2(CC1)CCn1c(-c3ccncc3)cnc12 96263432 ZSVQUHYHTZJSOH-UHFFFAOYSA-N 400.529 3.133 0 40 HGAB COc1ccc(C(=O)N2CCCN(c3cc(-c4ccccc4)n[nH]3)CC2)c(OC)c1 98211524 BSVVKBSQBDDOSA-UHFFFAOYSA-N 406.486 3.446 0 40 HGAB COc1cccc(OC)c1C(=O)NC[C@H]1CC[C@H](c2nnc(-c3cnccn3)o2)CC1 100156122 BIDCSBJRBHZHGD-GASCZTMLSA-N 423.473 3.248 0 40 HGAB O=C(NC1CCCC1)c1c(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)sc2c1CCC2 102339906 FNWMSRZQROUHPP-NQERCMRGSA-N 414.527 3.371 0 40 HGAB CCOc1ccc(CNC(=O)[C@@H](CC)N(c2ccc(F)cc2)S(C)(=O)=O)cc1 113950133 NUDOGIIKEDLCFL-LJQANCHMSA-N 408.495 3.085 0 40 HGAB CCOc1ccc(CNC(=O)[C@@H](CC)N(c2ccccc2F)S(C)(=O)=O)cc1 113967359 ZLENWUBEUKTJLG-GOSISDBHSA-N 408.495 3.085 0 40 HGAB Cc1cc(C)n(Cc2ccc(C(=O)NCc3ccc(CN4CCOCC4)cc3)cc2)n1 116180821 ZVHWDXUGIPBTKI-UHFFFAOYSA-N 418.541 3.310 0 40 HGAB COc1cccc(-c2noc(CN(C)C(=O)c3ccc(N4CCCC4=O)cc3)n2)c1 219207024 OLMQIAXECAUEID-UHFFFAOYSA-N 406.442 3.144 0 40 HGAB CC(C)(C)SCCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 219750094 MHDYZHROACFSRH-HNNXBMFYSA-N 404.985 3.141 0 40 HGAB COc1ccc(NC(=O)CN(c2ccc(F)cc2F)S(C)(=O)=O)cc1Cl 220083564 GIETUZFGMQAUDF-UHFFFAOYSA-N 404.822 3.032 0 40 HGAB COc1ccc(OC)c(N([C@H](C)C(=O)Nc2ccccc2Cl)S(C)(=O)=O)c1 220206753 WOYYJRNKJFDAQO-GFCCVEGCSA-N 412.895 3.150 0 40 HGAB Cc1ccccc1OC[C@H](C)NC(=O)CCCN(c1ccccc1C)S(C)(=O)=O 222562522 PXEBLBHUJUQUPV-IBGZPJMESA-N 418.559 3.433 0 40 HGAB Cc1cc(S(=O)(=O)NC2CC2)ccc1OCC(=O)Nc1ccc(F)c(Cl)c1 223054605 VJNCEAKTSWOXMF-UHFFFAOYSA-N 412.870 3.246 0 40 HGAB CN(C)CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1cccnc1 223212519 JNNWRZLVDBMYOS-SFTDATJTSA-N 406.559 3.192 0 40 HGAB CSc1ccc(S(=O)(=O)N2CCC(C(=O)NCC3=CCCCC3)CC2)cc1 224634019 QIWWVCKBBJNMTA-UHFFFAOYSA-N 408.589 3.426 0 40 HGAB CCc1nc2cc(C(=O)NCCSc3nc(-c4ccccc4)n[nH]3)ccc2n1C 225894922 OPJYAEXXUOQIBR-UHFFFAOYSA-N 406.515 3.443 0 40 HGAB Cc1ncc(-c2nccnc2CC2CCN(C(=O)c3n[nH]c4ccccc34)CC2)n1C 257277157 NWQUVNOSROMZSE-UHFFFAOYSA-N 415.501 3.157 0 40 HGAB Cc1nc2c(n1C(C)C)CN(Cc1ccccn1)CC21CCN(C(=O)N(C)C)CC1 306140682 VATNTLWXOQKHNT-UHFFFAOYSA-N 410.566 3.198 0 40 HGAB O=C(O)CN1C(=O)N/C(=C/c2ccc(OCc3cccc4ccccc34)cc2)C1=O 408592104 KZRKACGJAJRKJJ-UDWIEESQSA-N 402.406 3.396 0 40 HGAB COc1cccc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccccc2)c1 408606251 OJJCJQIUGNYPIW-NRFANRHFSA-N 410.495 3.224 0 40 HGAB COc1cc(CNc2ncnc(CC(C)C)c2I)ccc1O 557520346 ZZPWODLCNUAWNA-UHFFFAOYSA-N 413.259 3.606 0 40 HGAB COC(=O)c1ccc(S(=O)(=O)NC[C@H](O)c2ccc(-c3cccs3)s2)cc1 585148305 XXINASAZUVAWPE-AWEZNQCLSA-N 423.537 3.275 0 40 HGAB COC(=O)[C@H](CNC(=O)[C@H]1c2c[nH]nc2CC[C@@H]1C)Cc1cccc2ccccc12 1585814293 QDLLERISIIBGGQ-LZFQIVBZSA-N 405.498 3.377 0 40 HGAB O=C(NCc1ccccc1)N1CCC[C@@H](COc2ncc(Br)cn2)C1 1775969181 AEJBIRQMZWQRRR-OAHLLOKOSA-N 405.296 3.240 0 40 HGAB COC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)CCC3 755317 JVEYSLRNZZVSQS-UHFFFAOYSA-N 402.497 3.210 0 40 HGAB CCOc1cc([C@H]2C(C(=O)OC)=C(C)Nc3nnnn32)ccc1OCc1ccccc1 915081 WYQZIDKYMHRHOD-FQEVSTJZSA-N 421.457 3.113 0 40 HGAB CCc1ccc2[nH]c(=O)c(CN(CCO)C(=S)Nc3ccc(OC)cc3)cc2c1 916822 XWHAEEQNXUOOAD-UHFFFAOYSA-N 411.527 3.290 0 40 HGAB O=c1cccc2n1C[C@H]1C[C@@H]2CN(C[C@H](O)Cn2c3c(c4ccccc42)CCCC3)C1 1323234 ROTXKTSJRVHHQL-ZCNNSNEGSA-N 417.553 3.162 0 40 HGAB biogenic Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)Nc2ccc(N(C)C)cc2)cc1 1463554 HBDQEELBPBHIKE-HXUWFJFHSA-N 401.532 3.243 0 40 HGAB CNC(=O)NC(=O)[C@H](Sc1nnc(C2CC2)n1-c1ccccc1)c1ccccc1 3558325 DFKOWMABQNEZMH-QGZVFWFLSA-N 407.499 3.434 0 40 HGAB Cc1cc(OCC(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)c2c3c(c(=O)oc2c1)CCC3 4073409 KDUJSSHYNJDDIY-FYSMJZIKSA-N 411.498 3.123 0 40 HGAB biogenic CCOC(=O)[C@]1(C)N[C@@H](c2ccccc2C)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@H]21 4885770 KIGAHMOFTZZRJP-AZXNSQLWSA-N 406.482 3.075 0 40 HGAB CCOC(=O)[C@@H](CC)Sc1nnc2c3cnn(-c4ccc(F)cc4)c3ncn12 5215873 LFCGVIDOGNLIEJ-CQSZACIVSA-N 400.439 3.036 0 40 HGAB C[C@H]1CCCN(S(=O)(=O)c2cccc(C(=O)OCC(=O)c3ccc(F)cc3)c2)C1 5261936 JCENWFZLTQXIJD-HNNXBMFYSA-N 419.474 3.286 0 40 HGAB COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NC(C)(C)C)cc2)cc1OC 6357283 MUWUIFFRLTZZFU-UHFFFAOYSA-N 406.504 3.057 0 40 HGAB C[C@@H](C1CC1)n1nccc1NC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 6787187 WLDSIAYBXKLWBA-HNNXBMFYSA-N 402.520 3.281 0 40 HGAB COc1ccc(OC)c(NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccncc2)C3=O)c1 6788068 WNWHLKWKLARYKP-UHFFFAOYSA-N 417.421 3.147 0 40 HGAB C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)CSc1nnc(-c2ccccc2F)n1C 6947107 MAILLRAAGHTYHU-IUODEOHRSA-N 405.499 3.118 0 40 HGAB CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NC(C)(C)C)c(C)c2)cc1 7362014 XERBEAOSNOETGI-UHFFFAOYSA-N 420.531 3.488 0 40 HGAB COc1ccc(N2C[C@H](C(=O)O[C@H](C)C(=O)c3ccc(C)cc3)CC2=O)c(OC)c1 7881539 IQBCIEUPPMDWIB-NVXWUHKLSA-N 411.454 3.180 0 40 HGAB O=C(CSc1nnnn1C1CC1)N1CCC[C@@H](c2nc3ccccc3s2)C1 8327336 FULSFHCKEVDUBS-GFCCVEGCSA-N 400.533 3.116 0 40 HGAB Cc1cccc(NC(=O)CN(C)C(=O)CCNC(=O)c2ccc(Cl)cc2)c1C 8414193 OELFQWXEXMSKAC-UHFFFAOYSA-N 401.894 3.174 0 40 HGAB CC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2ccc(Cl)cc2F)C1=O 8482011 QWMZODIDCFPNJT-LJQANCHMSA-N 407.804 3.414 0 40 HGAB CC(=O)c1c(C)[nH]c(C(=O)CN(c2nccs2)S(=O)(=O)c2ccccc2)c1C 8734985 ZYWNKZOZLRBWCA-UHFFFAOYSA-N 417.512 3.369 0 40 HGAB O=C(Cc1ccc(F)cc1)Nc1nc2ccc(S(=O)(=O)N3CCCC3)cc2s1 9011993 NLNCKCYTODDUDK-UHFFFAOYSA-N 419.503 3.401 0 40 HGAB CCOc1ccc([C@@H]2Nn3c(C)nnc3S[C@H]2C(=O)NCc2ccc(C)cc2)cc1 9239022 NXTSSVMHONUHAN-VQTJNVASSA-N 423.542 3.369 0 40 HGAB C[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(=O)Nc1ccccc1C(=O)N1CCCC1 9477198 DMYNITUEKWQSJT-INIZCTEOSA-N 418.497 3.090 0 40 HGAB O=C(Nc1cccc2ncccc12)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 9721487 ZHEXSLDOKUULHY-AWEZNQCLSA-N 401.513 3.336 0 40 HGAB O=C(CCCNC1=NS(=O)(=O)c2ccccc21)OCc1ccc(F)cc1Cl 9787220 GSINJTKGTDOYAY-UHFFFAOYSA-N 410.854 3.041 0 40 HGAB Cc1cccc(-n2c(-c3ccc(Cl)cc3)cn3c4c(=O)[nH]c(=O)n(C)c4nc23)c1 10104611 RRDCIRWCGHVMNA-UHFFFAOYSA-N 405.845 3.294 0 40 HGAB COC(=O)c1ccc(CSc2nc3c(cnn3-c3ccccc3OC)c(=O)[nH]2)cc1 10613758 BXODLRCHDANSAN-UHFFFAOYSA-N 422.466 3.196 0 40 HGAB COc1ccc(NC(=O)C[C@@H]2CCCCN2S(=O)(=O)c2cccs2)c(OC)c1 11027645 YNRBLCHDEPOJNQ-AWEZNQCLSA-N 424.544 3.337 0 40 HGAB COc1ccc(C2=NN(CC(=O)NC(C)(C)C)C(=O)c3cc4sccc4n3C2)cc1 12113599 AHNUIKWJNLSQHT-UHFFFAOYSA-N 424.526 3.486 0 40 HGAB O=C(CNC(=O)c1ccco1)Nc1ncc(Cc2ccccc2Br)s1 12742561 GMEUSHDONGSRTF-UHFFFAOYSA-N 420.288 3.458 0 40 HGAB O=C1C[C@@H](C(=O)Nc2ccc(I)cc2)c2ccc(F)cc2N1 12766582 TYZRSRHOJCKRMM-CYBMUJFWSA-N 410.186 3.495 0 40 HGAB CNC(=O)c1ccccc1NCC(=O)Nc1sc2c(c1C(=O)OC)CCCCC2 12783173 CDBAXTPOJQSGLY-UHFFFAOYSA-N 415.515 3.214 0 40 HGAB C[C@@H]1CCc2c(C(=O)OCc3nnc4n(C)c(=O)c5ccccc5n34)csc2C1 12790404 OZKYHWYODBJCKG-GFCCVEGCSA-N 408.483 3.125 0 40 HGAB COC(=O)[C@@H](c1ccccc1Cl)N1CCN(C(=O)c2ccccc2OC)CC1 12997727 OSFGAACODUKHTA-LJQANCHMSA-N 402.878 3.021 0 40 HGAB CCc1nnc2ccc(N3CCN(C(=O)Nc4ccc(Cl)c(Cl)c4)CC3)nn12 13700650 YZGHTXBCDWUDKV-UHFFFAOYSA-N 420.304 3.348 0 40 HGAB O=C(COC(=O)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1)c1ccc(F)cc1 13856492 QDKNIYNYBOXDDE-CYBMUJFWSA-N 420.234 3.367 0 40 HGAB Cc1[nH]c2ccccc2c1[C@H]1c2ccccc2C(=O)N1CCC(=O)NCCN(C)C 13945782 OKWUGBOYCWINFD-HSZRJFAPSA-N 404.514 3.089 0 40 HGAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 14399149 SDFJAJKABIIMND-OAHLLOKOSA-N 402.878 3.180 0 40 HGAB CCN(CC)S(=O)(=O)c1cc(C(=O)NCc2ccccc2Cl)ccc1OC 15583742 MCBRMYZJRGWYTN-UHFFFAOYSA-N 410.923 3.309 0 40 HGAB COc1cc(NC(=O)/C=C/c2cc(OC)c3c(c2)OCCO3)cc(OC)c1OC 15624877 UMRMGHWWJVBGBQ-AATRIKPKSA-N 401.415 3.144 0 40 HGAB Cc1ccc(S(=O)(=O)N(C[C@H](O)CN2CCCCC2)c2ccc(F)cc2)cc1 16839634 FQJAXHFBNOQLSD-HXUWFJFHSA-N 406.523 3.176 0 40 HGAB O=C(CCC(=O)c1ccc(Br)cc1)OCc1nnnn1-c1ccccc1 17535135 MKVOFTIIKVCHJH-UHFFFAOYSA-N 415.247 3.131 0 40 HGAB COc1ccc(C2=NO[C@@](C)(C(=O)Nc3nc(-c4cnn(C)c4C)cs3)C2)cc1 19554283 CVTNTPJXOVNYLQ-HXUWFJFHSA-N 411.487 3.382 0 40 HGAB COCCC(=O)N[C@@H](c1ccccn1)[C@@H]1CCCN(Cc2ccc(F)c(F)c2)C1 19593232 XPHCJWWZTDRUJM-VGOFRKELSA-N 403.473 3.466 0 40 HGAB Cc1nc(-c2ccc(CNC(=O)[C@H](C)n3ccnc3C(C)C)cc2)ccc1C(N)=O 19700593 IQPZFVFVPUNTFY-INIZCTEOSA-N 405.502 3.353 0 40 HGAB COc1cccc(CNC(=O)c2cnc([C@H]3CCCN(C(=O)C4CCC4)C3)nc2C)c1 19753639 BEINPIVYNDDFDB-IBGZPJMESA-N 422.529 3.230 0 40 HGAB Cc1nn(CC(=O)NC2C[C@@H]3CC[C@H](C2)N3C)c2nc(C3CC3)cc(C(F)(F)F)c12 20614321 IIEKLOLXLQLENK-GOOCMWNKSA-N 421.467 3.377 0 40 HGAB CCOC(=O)[C@@](NCc1ccccc1)(NC(=O)c1c(F)cccc1F)C(F)(F)F 20792773 MZDNSAYTPVCAID-GOSISDBHSA-N 416.346 3.306 0 40 HGAB O=C(Cn1ncn2nc(-c3ccccc3)cc2c1=O)Nc1cccc(C(F)(F)F)c1 21023209 PDPCISRFGGSGQG-UHFFFAOYSA-N 413.359 3.216 0 40 HGAB CC(C)c1noc2ncc(C(=O)O[C@@H](C)C(=O)NC(=O)NC3CCCCC3)cc12 22201258 BQXATRYVCYRQFW-LBPRGKRZSA-N 402.451 3.050 0 40 HGAB Cc1c(NC(=O)C2CCN(C(=O)c3cccs3)CC2)c(=O)n(-c2ccccc2)n1C 23296296 XLBPZFRASCTRKM-UHFFFAOYSA-N 424.526 3.037 0 40 HGAB CCOC(=O)c1ccc(S(=O)(=O)N(C)Cc2nc3ccccc3n2C(F)F)cc1 24755109 BQSKFKOELJALID-UHFFFAOYSA-N 423.441 3.429 0 40 HGAB O=C(CCC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)c1ccc(Cl)cc1 25425452 PBVPGUZYVYPOND-UHFFFAOYSA-N 414.889 3.376 0 40 HGAB O=C(c1cc(Cl)cc(Cl)c1)N1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1 26439061 BLZLMHARXXGZQC-UHFFFAOYSA-N 417.296 3.188 0 40 HGAB CC(C)[C@@H](NC(=O)c1c(F)cccc1F)C(=O)NC[C@H](c1cccs1)N(C)C 27676183 ZCDKMYSGXMHQPD-CRAIPNDOSA-N 409.502 3.200 0 40 HGAB CN(C(=O)COC(=O)CCCn1c(=O)oc2ccccc21)[C@@H]1CCCc2ccccc21 32568699 YAWAZHUMJIFOOE-LJQANCHMSA-N 422.481 3.454 0 40 HGAB Cc1ccc(-c2nnc(SCc3cc(=O)c4cc(C(N)=O)ccc4[nH]3)n2C)cc1 33007470 NAGHBMLEGNEOGI-UHFFFAOYSA-N 405.483 3.023 0 40 HGAB CC[C@H](C)[C@@H](NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccccc1Cl)C(=O)OC 36580074 WAIWNQSLJFUOKC-XZOAIXRZSA-N 404.898 3.308 0 40 HGAB C[C@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1 40112188 QXAICYGBTJMMIH-BEFAXECRSA-N 406.935 3.241 0 40 HGAB Cc1nn(-c2ccccc2)c(C)c1C(=O)N1CCC[C@H](C(=O)Nc2nccs2)C1 40148976 UENNEOWNUJQXMX-INIZCTEOSA-N 409.515 3.437 0 40 HGAB CCc1ccccc1N(CC(=O)NCc1ccncc1)S(=O)(=O)c1ccc(C)cc1 44792782 ZURXHMLWHVTQMM-UHFFFAOYSA-N 423.538 3.464 0 40 HGAB Nc1nc(CN2CCC[C@@H]2c2ccc3c(c2)OCCO3)nc(Nc2ccccc2)n1 57891739 GZIXLNKHKDWYJB-QGZVFWFLSA-N 404.474 3.306 0 40 HGAB CC(=O)N1CCC(N2CCOC[C@H]2c2nc(-c3ccc(C(F)(F)F)cc3)c[nH]2)CC1 67898575 UPVUIPFCYCRKJX-IBGZPJMESA-N 422.451 3.480 0 40 HGAB biogenic,in-vitro Cc1cccc(C)c1NC(=O)CN1N=C(c2nc(-c3ccccc3)no2)CCC1=O 71772296 FEZBLEVXDNJQSE-UHFFFAOYSA-N 403.442 3.319 0 40 HGAB CCOC(=O)C[C@@H](c1c(O)c2ccccc2[nH]c1=O)c1cc2ccccc2n(C)c1=O 72325232 XFRIUQMLILGCBB-MRXNPFEDSA-N 418.449 3.171 0 40 HGAB biogenic O=C(CN1CCCC1)N1CCC[C@@H]1c1ccc2c(NCc3ccccc3)n[nH]c2n1 72374532 HXJAPFAJLOSKKP-HXUWFJFHSA-N 404.518 3.329 0 40 HGAB C[C@]1(c2ccccn2)NC(=O)N(Cc2ccc(C(=O)Nc3ccccc3)cc2)C1=O 84668149 UHBQHZVPLGBMIH-HSZRJFAPSA-N 400.438 3.301 0 40 HGAB COc1ccc(CNC(=O)NCCn2nc(-c3ccncc3)cc2C2CC2)cc1OC 96121690 WSYBUZBKCVYIBK-UHFFFAOYSA-N 421.501 3.339 0 40 HGAB CCN(CC)S(=O)(=O)c1cccc(C2=N/C(=C/c3ccccc3OC)C(=O)O2)c1 96991079 PKKQRJMJCPJMDU-NBVRZTHBSA-N 414.483 3.070 0 40 HGAB Cc1ncn(C23C[C@H]4C[C@@H](CC(C(=O)Nc5ccc6c(c5)NC(=O)[C@H](C)O6)(C4)C2)C3)n1 100774792 BODKNJKMXHOGIT-BJCZHFGRSA-N 421.501 3.240 0 40 HGAB CC[C@@H](C(=O)N[C@@H](C)COc1ccccc1C)N(c1ccccc1)S(C)(=O)=O 219085489 SYUHWZGEHPXMFP-HKUYNNGSSA-N 404.532 3.123 0 40 HGAB Cc1ccc(C(=O)NCCSCc2ccco2)cc1N1CCCCS1(=O)=O 222567003 BIWZCMVAILBLSD-UHFFFAOYSA-N 408.545 3.181 0 40 HGAB O=C(NCCSCc1ccccc1F)c1ccc(N2CCCCS2(=O)=O)cc1 222586021 GUBSYNOGGHJDGM-UHFFFAOYSA-N 422.547 3.419 0 40 HGAB COc1ccc(S(=O)(=O)NCc2cccc(Cl)c2)cc1C(=O)N1CCCC1 223870030 UFJIUPBEUWSJCV-UHFFFAOYSA-N 408.907 3.063 0 40 HGAB CC[C@H](C)NC(=O)c1ccc(CN(CC)S(=O)(=O)c2ccc(OC)cc2)cc1 224463433 PTIWGJQEXHJTIE-INIZCTEOSA-N 404.532 3.434 0 40 HGAB CC[C@@H](NC(=O)CN(c1cccc(C)c1)S(C)(=O)=O)c1ccc(OC)c(C)c1 225467579 PVZSUZGAGBZITP-LJQANCHMSA-N 404.532 3.346 0 40 HGAB COc1ccc(NS(=O)(=O)c2ccc(-n3nc4cc(C)c(N)cc4n3)cc2)cc1 226306400 FOXGTKFIDGAENE-UHFFFAOYSA-N 409.471 3.121 0 40 HGAB C[C@@H]1CCC[C@]2(C)C[C@@H]3OC(=O)[C@H](CN4CCN(C(=O)c5ccco5)CC4)[C@@H]3C=C12 248335194 MQSZZIBOTGMDJA-HPMKRPECSA-N 412.530 3.352 0 40 HGAB CC1(C)Oc2c(O)cccc2[C@H]2O[C@H]3CCN(C(=O)CCCC(=O)O)C[C@@H]3C[C@@H]21 257201842 AJGDFYABOCJCEE-NUADTHGBSA-N 403.475 3.113 0 40 HGAB Cc1nc2cc([C@@H]3CCCCN3C(=O)C3CC3)nn2c(C)c1CCC(=O)NC1CC1 257306425 SUFQDBSPRVZXBL-FQEVSTJZSA-N 409.534 3.021 0 40 HGAB O=C(CN1C(=O)S/C(=C2\C(=O)Nc3ccccc32)C1=O)Nc1cccc(Cl)c1 409163685 WIEMWYGZOWOCQO-NXVVXOECSA-N 413.842 3.337 0 40 HGAB COc1c(C)cnc(CN2CCC(OC)(c3nc(C4CCOCC4)no3)CC2)c1C 513833653 GXKPFXQLVIAVRM-UHFFFAOYSA-N 416.522 3.122 0 40 HGAB O=C(Nc1cnc2c(c1)COCC2)[C@@H](c1ccc(Cl)cc1Cl)N1CCOCC1 679080711 VXMJGEHSEPUEPY-LJQANCHMSA-N 422.312 3.473 0 40 HGAB C[C@@H]1OC[C@]2(CC[C@@H](CNC(=O)c3c[nH]c4ncc(Br)cc34)O2)[C@H]1C 1652140643 IOHVDNHNHOGLGV-WVPLEHFKSA-N 408.296 3.028 0 40 HGAB O=C(c1cc(-c2cccnc2)on1)N1CCC(Oc2nccc(C(F)(F)F)n2)CC1 1775975526 JJSRNXQRJYTQRO-UHFFFAOYSA-N 419.363 3.229 0 40 HGAB CC(=O)N(Cc1ccccc1)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1=O 1307053 AQUGBXBKLHXQPM-QGZVFWFLSA-N 401.260 3.130 0 40 HGAB Cc1ccccc1OCc1nc2ccccc2c(=O)n1NC(=O)COc1ccccc1 2335111 MVUIXNZFZQUENN-UHFFFAOYSA-N 415.449 3.433 0 40 HGAB C[C@@H](OC(=O)CCC(=O)c1cccs1)C(=O)Nc1ccc(N2CCOCC2)cc1 2641048 QCBNMDBJIITZAM-OAHLLOKOSA-N 416.499 3.118 0 40 HGAB Cc1cccc(-n2c(=O)c3ccccc3n3c(SCC(=O)NCC(C)C)nnc23)c1 2652161 MYUSPMBJXFXACH-UHFFFAOYSA-N 421.526 3.206 0 40 HGAB CCOC(=O)c1c(C)[nH]c(C)c1C(=O)CSc1nnnn1-c1cc(C)ccc1C 2660268 PPBJFNGUWXVKLX-UHFFFAOYSA-N 413.503 3.376 0 40 HGAB CC[C@@H](c1nc2c3cnn(-c4ccccc4)c3ncn2n1)n1cc(Br)cn1 2809765 LGUQDIKVHSPYRL-HNNXBMFYSA-N 423.278 3.422 0 40 HGAB CCOC(=O)c1c(C)[nH]c(C(=O)CSc2nnnn2-c2ccc(Cl)cc2)c1C 3492825 KQXUDFILNRVWDL-UHFFFAOYSA-N 419.894 3.412 0 40 HGAB Cc1ccc([C@]2(C)NC(=O)N(CC(=O)NCC34CC5CC(CC(C5)C3)C4)C2=O)cc1 4476912 FKPXFHGDNRTRNX-YMHSLHOESA-N 409.530 3.095 0 40 HGAB Cc1cc(C(=O)COC(=O)c2cccn2C)c(C)n1C[C@H]1COc2ccccc2O1 4564370 YAXKPFPFLOQLOR-KRWDZBQOSA-N 408.454 3.323 0 40 HGAB CCS(=O)(=O)c1ccc(C(=O)Nc2nc3cc(OC)c(OC)cc3s2)cc1 4585920 FIUXFGMEROERTG-UHFFFAOYSA-N 406.485 3.359 0 40 HGAB Cc1ccccc1NC(=O)Cc1nnc(SCC(=O)N[C@H]2CCCC[C@@H]2C)n1C 4816132 NOWACPMWPNFQHC-RDJZCZTQSA-N 415.563 3.092 0 40 HGAB CCn1c(SCC(=O)NC[C@H]2COc3ccccc3O2)nnc1-c1cccs1 4954815 HDOGROWLBDOWTK-ZDUSSCGKSA-N 416.528 3.075 0 40 HGAB COc1ccc(CN2C(=O)[C@@](O)(CC(C)=O)c3cc(Br)ccc32)cc1 4988111 ZJNMGWDEAFJVTE-LJQANCHMSA-N 404.260 3.171 0 40 HGAB C[C@H](Sc1nnnn1-c1ccc(O)cc1)C(=O)c1ccc(Br)cc1 6609407 LKQYYSBAXQNHMQ-JTQLQIEISA-N 405.277 3.494 0 40 HGAB CC(C)CCn1c(O)c(C(=O)NCc2ccc3c(c2)OCO3)c(=O)c2ccccc21 6616029 MEJRDYJMDLRYDL-UHFFFAOYSA-N 408.454 3.412 0 40 HGAB C[C@@H](NC(=O)COC(=O)Cn1c(C(F)(F)F)nc2ccccc21)c1ccccc1 6650259 VQVNAAHFFHUUON-CYBMUJFWSA-N 405.376 3.476 0 40 HGAB CCN(c1cccc(C)c1)S(=O)(=O)c1nnc(NC(=O)c2ccccc2)s1 6818319 OPWGCVSCPKEDAN-UHFFFAOYSA-N 402.501 3.314 0 40 HGAB C[C@H]1Oc2ccc(NC(=O)Cn3c(C(F)(F)F)nc4ccccc43)cc2NC1=O 7118895 OPGBUOPJQAZETR-SNVBAGLBSA-N 404.348 3.413 0 40 HGAB C[C@H](Sc1nnc(C(F)(F)F)n1C)C(=O)N1c2ccccc2NC(=O)C1(C)C 7817892 UXVUMPLJJQJJFN-VIFPVBQESA-N 413.425 3.078 0 40 HGAB COC(=O)c1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCC3)c2)c1C 7881112 VICMQRSPXWSTBG-UHFFFAOYSA-N 416.499 3.127 0 40 HGAB COc1ccc(N(CC(=O)Nc2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cc1 8117459 LZWIROPLNZJPMZ-UHFFFAOYSA-N 403.287 3.407 0 40 HGAB O=C(C[C@H]1C=CCC1)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 8191788 GHACIWFZRWWZST-ZDUSSCGKSA-N 403.331 3.183 0 40 HGAB O=C(CCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)N1CC[C@H]2CCCC[C@H]2C1 8216243 LOVFYBVYTUVVBV-SJORKVTESA-N 405.502 3.080 0 40 HGAB CCOc1ccc(NC(=O)CSc2nnc(C[C@H](C)O)n2-c2ccccc2)cc1 8816270 ACBHUDWCTQUFQZ-HNNXBMFYSA-N 412.515 3.320 0 40 HGAB Cc1cc(C)cc(NC(=O)CSc2nnc(-c3cc(-c4ccccc4)n[nH]3)n2N)c1 9087471 FQNVOHMJRMJLLM-UHFFFAOYSA-N 419.514 3.397 0 40 HGAB O=C(COC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)NC1CCCCCC1 9865184 USGZRROMTGXIIS-UHFFFAOYSA-N 424.453 3.072 0 40 HGAB COc1ccc(S(=O)(=O)CCC(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)cc1 10219456 MOZDFKXAZMBJNW-UHFFFAOYSA-N 422.528 3.109 0 40 HGAB CCN(CC)C(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1 10691521 MQOYCTPIFSUCAS-UHFFFAOYSA-N 407.363 3.404 0 40 HGAB COc1cc(C)c(NC(=O)CNC(=O)c2cccc(Br)c2)cc1OC 11647299 MSRGYTYMNZRMAI-UHFFFAOYSA-N 407.264 3.143 0 40 HGAB CCOc1ccc(NC(=O)c2ccc(S(=O)(=O)N[C@@H](C)CC)cc2)cc1OC 11871468 GJNPVTGTEOBBMV-AWEZNQCLSA-N 406.504 3.423 0 40 HGAB CCOC(=O)[C@](NCc1ccc(F)cc1)(NC(=O)c1cccc(F)c1)C(F)(F)F 12412230 IXBZEIDRZMSTHW-SFHVURJKSA-N 416.346 3.306 0 40 HGAB Cc1ccc(C(=O)O)cc1S(=O)(=O)Nc1ccccc1I 12526148 PLZNDAYYQYQCTJ-UHFFFAOYSA-N 417.224 3.099 0 40 HGAB Cc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)N2C[C@H](C)O[C@H](C)C2)c1 12584033 BQBLZUDSKSCYMK-CALCHBBNSA-N 402.516 3.354 0 40 HGAB CCc1cccc2c(C(=O)COC(=O)c3ccc(Cl)c(S(N)(=O)=O)c3)c[nH]c12 12590923 XDPSFEMBUNTZTI-UHFFFAOYSA-N 420.874 3.071 0 40 HGAB CCOc1ccccc1N1C[C@@H](C(=O)N[C@H](c2ccccc2)c2nccn2C)CC1=O 12741326 UWFLCJOJDAMUGQ-PGRDOPGGSA-N 418.497 3.078 0 40 HGAB Fc1ccc(-n2ncc3c(N[C@H](CN4CCOCC4)c4ccccc4)ncnc32)cc1 12764571 JTQWYKMDFBSQEI-OAQYLSRUSA-N 418.476 3.440 0 40 HGAB COc1ccc2cc(CNC(=O)CCCN3C(=O)NC4(CCCC4)C3=O)ccc2c1 12772499 QTVFGYQSZRZWNO-UHFFFAOYSA-N 409.486 3.109 0 40 HGAB O=C(c1ccc(S(=O)(=O)C(F)F)cc1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 12879222 QVTYPALFZCPOGY-MRXNPFEDSA-N 423.437 3.431 0 40 HGAB COCCn1c(S[C@@H](C)C(=O)N[C@H]2CCCC[C@@H]2C)nc2ccccc2c1=O 12892561 SZMJAXCCUBQPFL-ZOBUZTSGSA-N 403.548 3.218 0 40 HGAB COc1ccc(NC(=O)[C@@H](C)N2CCN(C(=O)c3cccs3)CC2)cc1Cl 12916120 AMXKHBPUFTZSAF-CYBMUJFWSA-N 407.923 3.195 0 40 HGAB O=C(c1cccc(Cl)c1Cl)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 12929175 MUZCXVBSVPCCPC-UHFFFAOYSA-N 423.325 3.021 0 40 HGAB NS(=O)(=O)c1ccc(NC(=O)N[C@@H](c2ccc(F)cc2)c2cccs2)cc1 13012589 VOCLIIYDYDLPSC-KRWDZBQOSA-N 405.476 3.446 0 40 HGAB COc1ccccc1-n1c(SCC(=O)Nc2cc(C)on2)nc2ccccc2c1=O 13042546 ZJVNSOPYSBYIDW-UHFFFAOYSA-N 422.466 3.422 0 40 HGAB CCOC(=O)c1ccc2c(c1)s/c(=N/C(=O)c1ccn(CC)n1)n2CCSC 13702964 ZGGMWCQQQPVHIF-FMQUCBEESA-N 418.544 3.200 0 40 HGAB COC[C@H](C)NC(=O)c1ccc(CN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 13858154 YFHTTYMEEKQYPU-KRWDZBQOSA-N 404.532 3.034 0 40 HGAB CC(=O)CCc1ccc(OC[C@@H](O)CSc2nnnn2C2CCCCC2)cc1 14246255 RGOCJMPQOAJVPF-GOSISDBHSA-N 404.536 3.232 0 40 HGAB O=C(Cc1csc(NC(=O)NC2CCCCC2)n1)NCc1ccc2c(c1)OCO2 17170399 GMAHFZABQYGMEB-UHFFFAOYSA-N 416.503 3.185 0 40 HGAB COC(=O)C1=C(C(=O)OC)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl 17285125 CPPKNFYFWOVESS-AOOOYVTPSA-N 414.883 3.475 0 40 HGAB CN(C)C(=O)[C@@]1(Cc2cccc(-c3cccnc3)c2)CN(C(=O)C(C)(C)C)CCO1 19081474 MQNRRNIVCJHDOM-XMMPIXPASA-N 409.530 3.023 0 40 HGAB COc1ccccc1CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)c1cc(=O)[nH]c(C)n1 19285125 BPVRLSBEQAVZEO-FQEVSTJZSA-N 416.481 3.211 0 40 HGAB Cn1ccnc1-c1nn(CCNC(=O)COc2ccccc2)cc1-c1ccc(F)cc1 19291552 MITPAVNQMYPPOK-UHFFFAOYSA-N 419.460 3.285 0 40 HGAB C[C@H]1CCC=C2C[C@H]3OC(=O)[C@@H](CN4CCN(Cc5ccccc5)CC4)[C@H]3[C@H](O)[C@@]21C 19369852 WRMKBSBJQCLVBI-FYHVMQNLSA-N 424.585 3.089 0 40 HGAB O=C(Nc1ccccc1)c1cnc(N2CCOCC2)nc1CCNC1CCCCC1 19697832 PHWUWZHOQHDAGO-UHFFFAOYSA-N 409.534 3.030 0 40 HGAB CC[C@@H](NC(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O)c1ccc(OC)cc1 20483080 NLAWZSJVBNPCNG-HXUWFJFHSA-N 404.532 3.346 0 40 HGAB CCc1ccccc1NC(=O)CN1CCCN(Cc2ccccc2Cl)S1(=O)=O 21531315 JBCBGOJCRHSEOJ-UHFFFAOYSA-N 421.950 3.294 0 40 HGAB C[C@H]1CCCC[C@@H]1NC(=O)CSCc1cc(=O)n2cc(Br)ccc2n1 23412049 IKSZCWOPXJGABN-WFASDCNBSA-N 424.364 3.385 0 40 HGAB C[C@@]12CCC(=O)N1c1ccccc1C(=O)N2CC(=O)N[C@@H]1CCCc2ccccc21 28431806 QYLCUPIRVQREIM-DVECYGJZSA-N 403.482 3.179 0 40 HGAB Cc1cccc(N2C[C@@H](C(=O)N[C@@H](c3cccc(F)c3)c3nccn3C)CC2=O)c1C 29080379 DKFYOEMWLYPQJX-AVRDEDQJSA-N 420.488 3.435 0 40 HGAB CN(CCCNC(=O)c1ccccc1S[C@@H]1CCS(=O)(=O)C1)c1ccccc1 32902464 XIAACDBGORNYCD-GOSISDBHSA-N 418.584 3.222 0 40 HGAB Cc1c(C(=O)N(C)Cc2nc3ccsc3c(=O)[nH]2)cnn1-c1ccc(F)cc1F 32945658 ONEORPXUWMSBSL-UHFFFAOYSA-N 415.425 3.029 0 40 HGAB C[C@@]1(c2cccc(C(F)(F)F)c2)NC(=O)N(CC(=O)N2CCc3ccccc32)C1=O 40116868 CAXSCIRUSFDXEL-FQEVSTJZSA-N 417.387 3.062 0 40 HGAB COc1ccc(C(=O)N2CCCc3cc(Cl)ccc32)cc1S(=O)(=O)NC1CC1 40139156 YSFZYSPCDQYLOT-UHFFFAOYSA-N 420.918 3.382 0 40 HGAB COc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3cnoc3C)cc2)cc1OC 40155207 KJAJWFXLBNJROH-UHFFFAOYSA-N 417.443 3.053 0 40 HGAB CCN(C(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1)c1ccccc1C 44039638 YWZWVTIZTGXUEH-UHFFFAOYSA-N 411.527 3.209 0 40 HGAB CCc1c(C)nc(SCc2nc(-c3cc(OC)c(OC)c(OC)c3)no2)[nH]c1=O 44169435 UMSINJPLEJDZQI-UHFFFAOYSA-N 418.475 3.009 0 40 HGAB Cc1nnnn1-c1cccc(NC(=O)N(C)Cc2ccc(Br)cc2)c1 45689692 YTMOWEMTEOJIGU-UHFFFAOYSA-N 401.268 3.397 0 40 HGAB CCOC(=O)/C=C/c1ccc(NC(=O)NCC2(N3CCOCC3)CCCCC2)cc1 48366717 DQHVPSDOEKQZAE-DHZHZOJOSA-N 415.534 3.420 0 40 HGAB Cc1cc2nn(CC(=O)Nc3cccc(F)c3)c(=O)n2c(Nc2ccc(F)c(C)c2)n1 49410729 MVCXIQLWTAMVNW-UHFFFAOYSA-N 424.411 3.168 0 40 HGAB CCOc1ccc2ccccc2c1C(=O)N1CC(c2nc(-c3ncccn3)no2)C1 49482920 KGPRERLFDZFNTI-UHFFFAOYSA-N 401.426 3.318 0 40 HGAB COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)[C@@H](C)N1CCN(c2ccccc2)CC1 57058646 CMRYWKGKTPVKBY-QGZVFWFLSA-N 420.513 3.412 0 40 HGAB CCOC(=O)C1=C(CN(CC)Cc2ccccc2)NC(=O)N[C@H]1c1cccc(OC)c1 57414704 JHIMZJADXKPJKZ-QFIPXVFZSA-N 423.513 3.388 0 40 HGAB Cc1cc(-n2c(=O)c3sccc3n(CC(=O)N3CCCC[C@H]3C)c2=O)ccc1F 57494398 CTCNZLQYGIIRGB-CQSZACIVSA-N 415.490 3.062 0 40 HGAB CCN(CC(=O)Nc1ccc(OC(F)(F)F)cc1)Cc1nc2ccccc2c(=O)[nH]1 57672245 SJARFOOADWYOKD-UHFFFAOYSA-N 420.391 3.282 0 40 HGAB CC(C)(C)OC(=O)N1CCN(Cc2nc3sccn3c2Br)CC1 58226408 FXTXCYWMDYOPNV-UHFFFAOYSA-N 401.330 3.211 0 40 HGAB COc1ccc(-c2cc3nn(CC(=O)Nc4cc(C)ccc4C)c(=O)n3c(C)n2)cc1 65196644 WHSUOOFHEQFCSS-UHFFFAOYSA-N 417.469 3.131 0 40 HGAB Cc1cc2nc(SCC(=O)Nc3ccc4c(c3)OCO4)n(CC(C)C)c(=O)c2[nH]1 67237790 KWESYGRXURFUPP-UHFFFAOYSA-N 414.487 3.149 0 40 HGAB CN(C)CCn1c(SCc2ccc(N3CCCC3=O)cc2)nc2ccccc2c1=O 67258699 PNZGZAXDRSBCMW-UHFFFAOYSA-N 422.554 3.377 0 40 HGAB O=C(Cn1nc2c3ccccc3nc(C3CC3)n2c1=O)N1CCC[C@H]2CCCC[C@H]21 72347201 PKTBIENOZPBPLP-DNVCBOLYSA-N 405.502 3.103 0 40 HGAB COCc1ccc(OC)c(CN2CCC[C@H](c3cc(=O)[nH]c(-c4cccnc4)n3)C2)c1 72352943 RSPVRODVYWDRDD-IBGZPJMESA-N 420.513 3.367 0 40 HGAB O=C(NC1(C(F)(F)F)CCC2(CC1)OCCO2)c1ccn(-c2cccc(F)c2)n1 79015534 PUUXZZMOJIZESL-UHFFFAOYSA-N 413.371 3.359 0 40 HGAB Cc1ccc(S(=O)(=O)C2(C(=O)Nc3ccc(Br)cn3)CCC2)cc1 84157368 RDMIQNHIEHTARD-UHFFFAOYSA-N 409.305 3.488 0 40 HGAB C[C@@H]1CN(CCOc2ccc(CCNC(=O)Cc3ccc4c(c3)OCO4)cc2)C[C@@H]1C 95460122 QRIHZMYOWSLACY-KDURUIRLSA-N 424.541 3.283 0 40 HGAB COC(=O)C[C@H](c1cnn(C)c1)c1oc(CSc2ccccc2)cc(=O)c1O 95479185 PFSOLXPJEPQKQE-MRXNPFEDSA-N 400.456 3.066 0 40 HGAB O=C(NCc1cccs1)[C@H]1CN(C(=O)c2ccc(F)cc2)CC12CCOCC2 96078711 AMHDQXQQGSUDLX-GOSISDBHSA-N 402.491 3.072 0 40 HGAB CN(C1CCCCC1)S(=O)(=O)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 105802345 FDYHSDOVOCROOQ-UHFFFAOYSA-N 420.501 3.122 0 40 HGAB O=C(CN1C(=O)S/C(=C/c2ccc(F)c(Br)c2)C1=O)N1CCCC1 205857267 WSXWSHROGFLCGR-MDWZMJQESA-N 413.268 3.247 0 40 HGAB COc1ccccc1N1CCN(CC(=O)N2CCS[C@H](c3ccco3)CC2)C1=O 219427256 BNELSCVQWNVORC-IBGZPJMESA-N 415.515 3.237 0 40 HGAB CC(C)NC(=O)c1ccccc1NC(=O)c1cc(N(C)S(C)(=O)=O)ccc1Cl 222495405 YBKNHTZYEQFSPN-UHFFFAOYSA-N 423.922 3.126 0 40 HGAB CS(=O)(=O)N(CCCC(=O)N1CCc2ccccc2C1)c1ccc(F)c(F)c1 222676154 LTCYFLNHIWDJRH-UHFFFAOYSA-N 408.470 3.096 0 40 HGAB O=c1[nH]c2cc(Cl)c(S(=O)(=O)Nc3cccc(Br)c3)cc2o1 223325568 JUDMKBVOVLMMML-UHFFFAOYSA-N 403.641 3.338 0 40 HGAB CCCSc1nnc(NS(=O)(=O)c2ccc(Cl)c(C(=O)OC)c2)s1 223661956 IGHMRZHCNYWFJE-UHFFFAOYSA-N 407.926 3.281 0 40 HGAB O=S(=O)(NCc1ccnc(N2CCCC2)n1)c1ccc(Oc2ccccc2)cc1 224203303 FUQGBXCWJGHRAR-UHFFFAOYSA-N 410.499 3.348 0 40 HGAB CCOC(=O)c1cccc(N(CC)S(=O)(=O)c2ccc(OC)c(OC)c2)c1C 224815319 YPQXFRPUGDMXDJ-UHFFFAOYSA-N 407.488 3.404 0 40 HGAB COc1ccc(C)cc1NS(=O)(=O)c1nnc(NC(=O)c2cccc(C)c2)s1 225765986 GGHDDDOOYRLVFS-UHFFFAOYSA-N 418.500 3.217 0 40 HGAB CC[C@@H](C)NC(=O)CN(CCc1ccccc1)S(=O)(=O)c1cc(C)ccc1C 225940063 SEZLUYVYEXCVEC-LJQANCHMSA-N 402.560 3.452 0 40 HGAB O=C(CN1CCc2ccccc2C1)N1CCCC[C@H]1c1nnc(-c2cccnc2)o1 257221101 DNMGLDJCZSMYDV-FQEVSTJZSA-N 403.486 3.244 0 40 HGAB CCCN1CCN(C(=O)c2ncc[nH]2)C[C@H](Cc2ccccc2-c2ccncc2)C1=O 257254129 KBSYVYAMIPDBGP-FQEVSTJZSA-N 417.513 3.025 0 40 HGAB CCCN1CCN(C(=O)c2cc[nH]n2)C[C@@H](Cc2ccccc2-c2cccnc2)C1=O 257343336 ZSMFSENMDJRZGM-HXUWFJFHSA-N 417.513 3.025 0 40 HGAB COc1ccc(N([C@H](C)C(=O)NCC2=CCCCC2)S(C)(=O)=O)cc1Cl 260848810 QOPVICMGQWFORN-CYBMUJFWSA-N 400.928 3.120 0 40 HGAB COc1cccc(CN2C[C@H]3c4nnc(C(=O)Nc5ccccc5)n4CC[C@H]3C2)c1 306125154 CICUWIYXMVFZOV-FXAWDEMLSA-N 403.486 3.158 0 40 HGAB Cc1ccc(CN2CC[C@]3(C2)CN(C(C)C)S(=O)(=O)c2ccccc2O3)s1 306137002 QISYQJASBCHFBE-FQEVSTJZSA-N 406.573 3.493 0 40 HGAB Cc1cc(C)cc(CN2C[C@H]3Cc4nnc(C(=O)NCc5ccccc5)n4C[C@H]3C2)c1 306137871 RIQFGQJTOMTHKH-FGZHOGPDSA-N 415.541 3.129 0 40 HGAB COc1ccc(N([C@H](C)C(=O)Nc2cccc(OC(C)C)c2)S(C)(=O)=O)cc1 408622059 TYSIBKNIUXHVTF-OAHLLOKOSA-N 406.504 3.276 0 40 HGAB CCOC(=O)COc1ccccc1/C=C1/NC(=O)N(c2ccc(Cl)cc2)C1=O 409239389 MKAFUADHYBAOQY-LFIBNONCSA-N 400.818 3.379 0 40 HGAB O=C(O)c1ccc(/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)cc1 409351293 TUKQKCQPZZUHEI-WQRHYEAKSA-N 422.462 3.006 0 40 HGAB Cc1ccsc1CNC(=O)CN1CCCC[C@@H]1c1nnc(C2CCOCC2)o1 504333919 DIELUORRWYWMPK-MRXNPFEDSA-N 404.536 3.177 0 40 HGAB CC1CCN(S(=O)(=O)c2ccc(C(=O)Nc3ccc4c[nH]nc4c3)s2)CC1 592727129 WUWITNUWOTZHHD-UHFFFAOYSA-N 404.517 3.297 0 40 HGAB CNS(=O)(=O)Cc1ccc(CNC(=O)NC2CCC3(CCCCC3)CC2)cc1 682440991 PLPWKEPZWBNGHB-UHFFFAOYSA-N 407.580 3.428 0 40 HGAB O=C1CC2(CCN(C(=O)c3cn4cc(Cl)ccc4n3)CC2)CN1Cc1ccncc1 1565556759 UGBWQICCQJKPKT-UHFFFAOYSA-N 423.904 3.038 0 40 HGAB O=S(=O)(NC[C@H](O)c1ccc(-c2ccco2)o1)c1ccc(OC(F)(F)F)cc1 1775965382 BHDMICQTQISGAK-ZDUSSCGKSA-N 417.361 3.450 0 40 HGAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)C3CC3)cc2)c(C)c1 676439 QNAKPEYSFCYKRG-UHFFFAOYSA-N 403.529 3.327 0 40 HGAB CCOc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccc(CC)cc3)CC2=O)cc1 794288 UOXMNSCSSBJFFS-QGZVFWFLSA-N 410.470 3.183 0 40 HGAB Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccncc2)c2ccccc2C)cc1 894109 PFCPICYJULBDDX-UHFFFAOYSA-N 409.511 3.210 0 40 HGAB O=C(CSc1nnnn1-c1cccnc1)Nc1ccc(OCc2ccccc2)cc1 1357565 XRRBUJYRRIYEAS-UHFFFAOYSA-N 418.482 3.367 0 40 HGAB COc1ccc(CN(Cc2ccccn2)C(=O)CN2C(=O)COc3ccccc32)cc1 1361670 PDDGMYIRJNWYMO-UHFFFAOYSA-N 417.465 3.045 0 40 HGAB Cn1c(N2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)nc2ccccc21 1370909 TWFMLBNPQVAEAI-UHFFFAOYSA-N 424.448 3.103 0 40 HGAB COc1ccc(CCNC(=O)CCCCCN2C(=O)c3ccccc3C2=O)cc1OC 1909399 ORTBZWFHJHITRL-UHFFFAOYSA-N 424.497 3.219 0 40 HGAB biogenic CCOC(=O)c1c(NC(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)sc(C)c1C 1940312 GBHLWCVZNDIVNH-NSHDSACASA-N 400.456 3.165 0 40 HGAB COc1cc2c(cc1OC)CN(S(=O)(=O)c1cnc(Cl)c(Cl)c1)CC2 2240878 IASDIMSFDKCKOC-UHFFFAOYSA-N 403.287 3.153 0 40 HGAB COC[C@H](C)n1c(SCC(=O)Nc2cccc(F)c2)nc2ccccc2c1=O 3263277 IFXDFSPXFOTPRI-ZDUSSCGKSA-N 401.463 3.474 0 40 HGAB O=C(COC(=O)c1cc(=O)c2ccccc2o1)Nc1c(F)c(F)c(F)c(F)c1F 3371689 BDZVRYTXFUMRQI-UHFFFAOYSA-N 413.254 3.284 0 40 HGAB CCOc1ccc(NC(=O)CSc2ccc3nnc(-c4cccnc4)n3n2)cc1 4327709 FTZHMJZKHMDGMQ-UHFFFAOYSA-N 406.471 3.316 0 40 HGAB CCC(=O)Nc1ccc(-c2nnc(SCC(=O)Nc3nccs3)n2C)cc1 4510460 CNOUHVBUCKBSLD-UHFFFAOYSA-N 402.505 3.018 0 40 HGAB CCOc1ccc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc1OCC 4699385 KYYCOJDYMPQWGZ-LDADJPATSA-N 423.469 3.324 0 40 HGAB CN(Cc1ccccc1)C(=O)CSc1nnc(Cc2cccc3ccccc23)n1N 5936844 FHPFZLFCWAICHX-UHFFFAOYSA-N 417.538 3.487 0 40 HGAB Cc1ccc(CNC(=O)c2ccccc2NC(=O)CSc2nnc(C)n2C)cc1 6606180 HLQIHXQIWWWTGC-UHFFFAOYSA-N 409.515 3.093 0 40 HGAB C[C@H](NC(=O)CCC(=O)N1CCC(c2ccccc2)=N1)c1ccc2c(c1)OCCO2 6610088 PMMHCOLJFRRFHZ-INIZCTEOSA-N 407.470 3.052 0 40 HGAB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(N3CCCC3)cc2)C1=O 6945421 TWYDWLDVCLTRAK-RCCKNPSSSA-N 418.497 3.381 0 40 HGAB CC(=O)c1ccc(NC(=O)CN2C[C@H](C(=O)N3CCCCC3)Oc3ccccc32)cc1 7251915 NKWCHKLKNXTNLP-JOCHJYFZSA-N 421.497 3.108 0 40 HGAB NC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)c2ccccc2O1 7307318 AGPOWAICWUNGFD-FQEVSTJZSA-N 400.500 3.176 0 40 HGAB COc1ccc(C)cc1-n1ccnc1SCC(=O)NCc1ccc2c(c1)OCO2 7391309 HQYUNFZUXNTMPI-UHFFFAOYSA-N 411.483 3.327 0 40 HGAB Cc1ccc(Cl)cc1NC(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 7406834 KCVFTTRWVAYZJH-UHFFFAOYSA-N 408.907 3.230 0 40 HGAB C[C@@H](OC(=O)CSc1ccc2c(c1)OCCO2)C(=O)Nc1ccc(F)cc1F 7631920 ZIKVRSCJQYBQJX-LLVKDONJSA-N 409.410 3.399 0 40 HGAB CCOC(=O)NC(=O)COC(=O)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 7706275 RMXQBZLIYBEBJM-UHFFFAOYSA-N 411.389 3.108 0 40 HGAB COc1cccc([C@@H](CNC(=O)C2CCN(C(=O)Nc3ccccc3)CC2)N(C)C)c1 7980415 KKLJYELSLDNJBV-JOCHJYFZSA-N 424.545 3.358 0 40 HGAB Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)CCS(=O)(=O)c1ccccc1 8009599 WJBHNSTYJGCIDS-UHFFFAOYSA-N 411.527 3.312 0 40 HGAB O=c1[nH]c2ccc(S(=O)(=O)N3CCC(c4nc5ccccc5s4)CC3)cc2[nH]1 8073570 VDEZBKAUMLACGT-UHFFFAOYSA-N 414.512 3.034 0 40 HGAB C[C@H](NC(=O)CN1C(=O)N[C@]2(CCCc3sccc32)C1=O)c1cc2ccccc2o1 8883077 BJQDVNIVNLCPGX-XMHCIUCPSA-N 423.494 3.455 0 40 HGAB CC/C(Nc1ccc(N(C)C)cc1)=C1/C(=O)NC(=O)N(c2ccc(OC)cc2)C1=O 9111123 AFADZAMFDGCVKH-VHEBQXMUSA-N 408.458 3.120 0 40 HGAB COc1cc(NC(=O)C(=O)Nc2nc3ccccc3s2)ccc1N1CCCCC1=O 9317834 LBGMSFGTXYESCF-UHFFFAOYSA-N 424.482 3.399 0 40 HGAB O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1nc(-c2cccs2)n(-c2ccccc2)n1 11167680 XNALKWNPWFLQGV-UHFFFAOYSA-N 402.439 3.418 0 40 HGAB CC(C)N(C(=O)CN1CCC(n2nc(-c3cccs3)ccc2=O)CC1)C(C)C 12183491 XEWTVFBYPSKDGD-UHFFFAOYSA-N 402.564 3.254 0 40 HGAB CC(=O)Nc1ccc(NC(=O)c2ccc(Cl)c(N3CCCCS3(=O)=O)c2)cc1 12195154 BAAPNDVTDIERCM-UHFFFAOYSA-N 421.906 3.481 0 40 HGAB CS(=O)(=O)c1ccccc1C(=O)Nc1sc(-c2ccccc2)cc1C(N)=O 12232686 BQDSCIDFTQYVDT-UHFFFAOYSA-N 400.481 3.170 0 40 HGAB COc1ccc(N(CCC(N)=O)C(=O)CSc2ccc(C(F)(F)F)cn2)cc1 12549516 PXNCMTHYIMVQBZ-UHFFFAOYSA-N 413.421 3.110 0 40 HGAB CCOc1ccc(Oc2ccc(Cl)cc2NC(=O)CN(C)CC(=O)N(C)C)cc1 12734813 VJWJBWDSMQJCIZ-UHFFFAOYSA-N 419.909 3.490 0 40 HGAB CCCC[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc(F)c(F)c1 12758438 NTMCJYDQJPOCEW-MRXNPFEDSA-N 407.442 3.201 0 40 HGAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)CNC(=O)c2ccccc2Cl)c1 12796429 PJYCMVITRVJDKG-SFHVURJKSA-N 402.878 3.451 0 40 HGAB O=C(CCc1nc2ccccc2c(=O)[nH]1)N1CCC(c2nc3ccccc3o2)CC1 12883126 TWKVATHHNQMFPW-UHFFFAOYSA-N 402.454 3.403 0 40 HGAB COC(=O)Cn1c(SCc2cnn(-c3ccccc3)c2)nc2ccccc2c1=O 12906453 LJOSZIPDYYKKBD-UHFFFAOYSA-N 406.467 3.048 0 40 HGAB COc1ccc(N2C(=O)C(=O)N(CN(Cc3ccccc3)CC(F)(F)F)C2=O)cc1 14223853 CHBCDUWXMOGFFW-UHFFFAOYSA-N 421.375 3.012 0 40 HGAB CCC(CC)NC(=O)c1ccc(NC(=O)C[C@@H]2SC(N3CCCC3)=NC2=O)cc1 14242136 NZNONYTYXBADGZ-KRWDZBQOSA-N 416.547 3.027 0 40 HGAB COC(=O)[C@H](O)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 16697027 XKHNPJQJVNNUTB-DHIUTWEWSA-N 408.450 3.412 0 40 HGAB CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)COc1ccc(F)cc1Cl 18094687 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OUGOZCPYXWWGTQ-IBGZPJMESA-N 415.559 3.335 0 40 HGAB CCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)N(Cc2ccc(F)cc2)C1=S 2212611 JOTZFHBWWVMZCS-QGZVFWFLSA-N 403.454 3.311 0 40 HGAB COc1ccc(CCN2C(=O)C[C@H](Nc3ccc(F)c(Cl)c3)C2=O)cc1OC 2662404 NQEATCYVXKRXDO-INIZCTEOSA-N 406.841 3.278 0 40 HGAB Cc1cc(=O)oc2cc(OCC(=O)OCC(=O)Nc3ccc(F)c(F)c3F)ccc12 3227652 DIHMFKIVIKHHGB-UHFFFAOYSA-N 421.327 3.079 0 40 HGAB COc1ccccc1OCC(=O)OCC(=O)c1cc(C)n(C[C@@H]2CCCO2)c1C 3315302 PFTUAYODHDJOQD-KRWDZBQOSA-N 401.459 3.097 0 40 HGAB Cc1cc(Oc2ccc(=O)n(C)n2)nc(SCC(=O)Nc2ccc(Cl)cc2)n1 3653532 GCJLUJZBKLKPAI-UHFFFAOYSA-N 417.878 3.055 0 40 HGAB CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccco3)N3CCCCC3)cc2c1 4234459 DCMLFNULEXXCOY-NRFANRHFSA-N 418.501 3.294 0 40 HGAB CCN(CC)C(=O)Cn1cc(C(=O)C(=O)Nc2ccc3c(c2)OCO3)c2ccccc21 4271973 TWWBMACVBQUAHD-UHFFFAOYSA-N 421.453 3.060 0 40 HGAB CCOC(=O)N1CCc2c(sc(NC(=O)/C=C/c3cccs3)c2C(N)=O)C1 4280319 XZMSNIRTYQMMSC-AATRIKPKSA-N 405.501 3.075 0 40 HGAB Cc1ccc(NC(=O)Cn2cnc3c(cnn3-c3cccc(C)c3C)c2=O)c(C)c1 4479189 BXXNMEJEPZAPIT-UHFFFAOYSA-N 401.470 3.455 0 40 HGAB CCCCNC(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccc(C)cc1 4664539 YTGACEQRPLKMIP-UHFFFAOYSA-N 404.532 3.424 0 40 HGAB CCOC(=O)c1ccc(NC(=O)CSc2nnc(Cc3ccccc3)n2C)cc1 4800473 QHMLUKLFEQSHCW-UHFFFAOYSA-N 410.499 3.313 0 40 HGAB Cc1ccc2nc(NC(=O)C3CCN(S(=O)(=O)c4cccnc4)CC3)sc2c1 4902726 YAMBYFPNPBBRPA-UHFFFAOYSA-N 416.528 3.039 0 40 HGAB Cn1c(SCC(=O)Nc2nnc(C(F)(F)F)s2)nnc1-c1ccccc1 4999194 IDXDHCIPZSLUIX-UHFFFAOYSA-N 400.411 3.083 0 40 HGAB CCS(=O)(=O)c1ccc(C(=O)N(CCN(C)C)c2nc3ccccc3s2)cc1 5242523 XRHCGESDMQVURE-UHFFFAOYSA-N 417.556 3.298 0 40 HGAB Cc1nc2ccc(NC(=O)[C@@H]3CCCN3S(=O)(=O)c3cccs3)cc2s1 5298723 ISMZUVXLDMSLKC-AWEZNQCLSA-N 407.542 3.458 0 40 HGAB COc1cccc(NC(=O)Cn2nc(-c3ccc(Br)cc3)ccc2=O)c1 5398017 IISXAPOATPUZPQ-UHFFFAOYSA-N 414.259 3.320 0 40 HGAB COc1ccc(OC)c(COc2ccc([C@@H]3N[C@@H](C(=O)O)CS3)cc2OC)c1 6230073 POBPVKYBYXQROA-DNVCBOLYSA-N 405.472 3.080 0 40 HGAB CCCNC(=O)[C@@H]1Sc2nnc(-c3ccccc3)n2N[C@@H]1c1ccc(OC)cc1 6721069 MCCDMPJJWFASHC-QZTJIDSGSA-N 409.515 3.239 0 40 HGAB CC(C)c1ccc(-n2nnnc2S[C@@H](C(=O)N2CCOCC2)c2ccccc2)cc1 6850240 VMHCUAYRTUZLAS-HXUWFJFHSA-N 423.542 3.478 0 40 HGAB COC(=O)c1ccc2c(=O)[nH]c(COC(=O)CCSc3ccc(F)cc3)nc2c1 7135445 ZHYYHPMMTPQXQP-UHFFFAOYSA-N 416.430 3.074 0 40 HGAB O=C(CCn1c(=O)oc2ccccc21)O[C@H](C(=O)N1CCCCC1)c1ccccc1 7226034 AJZLUOMVYDDYBK-NRFANRHFSA-N 408.454 3.282 0 40 HGAB COc1ccccc1-n1c(S[C@H]2CCOC2=O)nc2cc(Cl)ccc2c1=O 7296225 DSRJKTQLEVIVGH-INIZCTEOSA-N 402.859 3.455 0 40 HGAB COc1ccc(C(=O)Nc2cccc(-n3c(C)nc4ncccc4c3=O)c2)cc1OC 7508964 GRFJTLSXKIBWFS-UHFFFAOYSA-N 416.437 3.359 0 40 HGAB CCOc1cc(CNCc2ccc(C)cc2)cc(Br)c1OCC(N)=O 7537929 SLBSIACBEWANGT-UHFFFAOYSA-N 407.308 3.310 0 40 HGAB CCc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1 7987946 SHZPXYSZMWOQOI-UHFFFAOYSA-N 417.512 3.246 0 40 HGAB O=C(N[C@H]1C[C@H]2C(=O)Nc3ccc(-c4cccs4)cc3C(=O)N2C1)c1ccccc1 8299658 JHNSBKKBTBOIOK-LPHOPBHVSA-N 417.490 3.380 0 40 HGAB biogenic,in-vitro O=C(CNc1ccc(S(=O)(=O)N2CCCCCC2)cc1)Nc1cccc(F)c1 8394496 GGXGHCJBCKEGRA-UHFFFAOYSA-N 405.495 3.441 0 40 HGAB COc1ccccc1-c1n[nH]c(=S)n1NCc1ccc(OC)c(OC)c1OC 8496580 XBLQWAVDKHVLBE-UHFFFAOYSA-N 402.476 3.386 0 40 HGAB O=C(CCNS(=O)(=O)c1ccccc1)OCC(=O)c1ccc(-c2ccccc2)cc1 8883749 AHWWXNZYVMNZQQ-UHFFFAOYSA-N 423.490 3.448 0 40 HGAB CCc1ccccc1NC(=O)[C@@H]1CCC(=O)N1[C@H]1OC(=O)c2c1ccc(OC)c2OC 9034067 VGHLOPVTFSOVQA-AOMKIAJQSA-N 424.453 3.065 0 40 HGAB biogenic O=C(CCn1[nH]c(=O)c2ccccc2c1=O)N1CCC[C@H]1c1nc2ccccc2s1 9449024 KFHVPOIDTLHADJ-KRWDZBQOSA-N 420.494 3.053 0 40 HGAB Nc1nc(COC(=O)c2cc(Br)ccc2O)nc(Nc2ccccc2)n1 9469632 LSRJUHRZDSABNT-UHFFFAOYSA-N 416.235 3.023 0 40 HGAB NS(=O)(=O)c1cc(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)ccc1Cl 9507589 HWONYTRVXAWYCQ-UHFFFAOYSA-N 411.213 3.495 0 40 HGAB COc1ccc([C@H]2N(C(=O)N(C)C)[C@H](C)CN2S(=O)(=O)c2ccc(C)cc2)cc1 9668759 UXBFTYQTKXXWIO-OXQOHEQNSA-N 417.531 3.079 0 40 HGAB O=C(Nc1ccc(Cl)cc1F)[C@@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1 9723618 XLGWSHKGTVZIRF-GFCCVEGCSA-N 421.881 3.279 0 40 HGAB Cn1ccnc1[C@H](NC(=O)C1CCN(C(=O)C(C)(C)C)CC1)c1ccc(F)cc1 10656740 BQECDSWKPMHKPC-GOSISDBHSA-N 400.498 3.050 0 40 HGAB O=C(c1ccccc1Cl)N1CCC2(CC1)NC(=O)N(CCc1ccccc1)C2=O 11694121 OXWRYKUYUMULFS-UHFFFAOYSA-N 411.889 3.109 0 40 HGAB CCc1nn(CC(=O)N[C@H](C)c2ccc(OC)cc2)c(=O)c2cc3ccsc3n12 12114328 IZMXGJKGJSKVDW-CYBMUJFWSA-N 410.499 3.159 0 40 HGAB CCCCC(=O)N1CCC[C@H](c2nc(N3CCOCC3)ncc2-c2cccnc2)C1 12120618 AEJBFHXLTJCYGW-IBGZPJMESA-N 409.534 3.271 0 40 HGAB COc1cccc(CC(=O)N2CCC(c3nc(O)cc(-c4ccncc4)n3)CC2)c1 12256574 NEEYUSSOKZYXOS-UHFFFAOYSA-N 404.470 3.202 0 40 HGAB CCc1nnc(-c2ccc(NC(=O)[C@@H]3CC(=O)N(c4ccc(OC)cc4)C3)cc2)o1 12443901 BTTDDEDPXIEOAN-OAHLLOKOSA-N 406.442 3.299 0 40 HGAB C[C@H]1CCCC[C@H]1NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCCC1 12527877 KBJPCCPUAAJWEM-QFBILLFUSA-N 407.580 3.236 0 40 HGAB Cn1ccnc1[C@@H](NC(=O)CNC(=O)c1ccccc1Cl)c1ccc(Cl)cc1 12560183 APDGRDCPNNWGPF-SFHVURJKSA-N 417.296 3.363 0 40 HGAB COc1cc(OC)c(OC)cc1CNS(=O)(=O)c1ccc(Cl)c(Cl)c1 12904300 OCAHGQDLAFZJIN-UHFFFAOYSA-N 406.287 3.498 0 40 HGAB COc1ccc(NC(=O)c2cccc(S(=O)(=O)NCc3cccs3)c2)cc1 12932560 LJVYBRHNZPNKOR-UHFFFAOYSA-N 402.497 3.488 0 40 HGAB CC(C)c1cccc(N2C[C@@H](C(=O)N(C)Cc3nc4ccccc4c(=O)[nH]3)CC2=O)c1 12947890 JZTZXRYRRHQCEO-KRWDZBQOSA-N 418.497 3.058 0 40 HGAB CCN(CC)Cc1ccccc1CNC(=O)c1sc2nc3n(c(=O)c2c1C)CCC3 12988555 VFOOAZCZTBOBLG-UHFFFAOYSA-N 424.570 3.484 0 40 HGAB Cc1ccc(CN(C)[C@@H](C)C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)cc1 13071322 FMLRSPICFWMISW-KRWDZBQOSA-N 403.548 3.013 0 40 HGAB O=c1/c(=C/c2ccccc2F)sc2nc(-c3ccccc3Br)nn12 13514497 MXRNZCWYIMZMTI-ZROIWOOFSA-N 402.248 3.267 0 40 HGAB O=S1(=O)c2ccccc2[C@@H](O)[C@@H](Cc2c[nH]c3ccccc23)N1Cc1cccnc1 13691148 NAVBAMNTAPFPOO-FYYLOGMGSA-N 419.506 3.412 0 40 HGAB O=C([C@@H]1CCCO1)N1CCc2ccc(NS(=O)(=O)c3ccccc3Cl)cc21 13696673 IAIGRTVLIOOGAY-KRWDZBQOSA-N 406.891 3.209 0 40 HGAB Cc1ccc(CN(C)C(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)c(C)c1 14189125 KSDAXLKDUGHLRP-UHFFFAOYSA-N 400.544 3.363 0 40 HGAB Cc1ccc2nc(-c3ccccc3)cc(C(=O)NCCC(=O)N3CCOCC3)c2c1 14245644 OYAVRROYKNIQIU-UHFFFAOYSA-N 403.482 3.189 0 40 HGAB O=C(CNC(=O)c1cc(-c2cccs2)nn1-c1ccccc1)NCc1ccco1 14247412 OVFGTSGJJDQZOW-UHFFFAOYSA-N 406.467 3.240 0 40 HGAB COC(=O)c1ccc(NC(=O)CCCN(c2cc(C)ccc2C)S(C)(=O)=O)cc1 14400105 MFXKROGLRHBACV-UHFFFAOYSA-N 418.515 3.275 0 40 HGAB CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)Nc1ccccc1Cl)n2C 15408456 WQCFTTGPYXVJSU-UHFFFAOYSA-N 420.922 3.048 0 40 HGAB CCOC(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]3CCCN3[C@@]23C(=O)Nc2ccccc23)cc1 16027012 RKQZVYFIUMOCFC-WVMBUTMQSA-N 419.481 3.134 0 40 HGAB biogenic Cc1cc(C)c(C)c(S(=O)(=O)N(C)c2ccc(OCC(=O)NC3CC3)cc2)c1C 17122875 PDOSHWPGIYQOCT-UHFFFAOYSA-N 416.543 3.403 0 40 HGAB O=C(COC(=O)c1cccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1)c1ccc(F)cc1 17988343 IIRMIIJRJYRYAX-RTBURBONSA-N 407.397 3.321 0 40 HGAB CNC(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1 18190741 ZDBHHXLXEZAJTA-UHFFFAOYSA-N 406.813 3.300 0 40 HGAB COc1ccc([C@H]2CN(S(C)(=O)=O)[C@@H]3CCN(Cc4cccc(F)c4)C[C@H]23)cc1 19557727 MAMOFOJSHGBXSX-YPAWHYETSA-N 418.534 3.084 0 40 HGAB CN(C)S(=O)(=O)N(C)c1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)cc1 20245667 LBQCTYZTPGQWQQ-UHFFFAOYSA-N 415.559 3.024 0 40 HGAB CSc1nnnc2c1sc1nc(N3CCOCC3)c3c(c12)CC(C)(C)OC3 20827658 FYJOFRMGGZVAHU-UHFFFAOYSA-N 403.533 3.044 0 40 HGAB CCCCCOC(=O)C1=C(C)Nc2nnnn2[C@H]1c1ccccc1Br 20946166 AHAJRPNJVPLYIZ-HNNXBMFYSA-N 406.284 3.458 0 40 HGAB COCC(=O)N1CCCc2ccc(NS(=O)(=O)Cc3ccccc3Cl)cc21 21756931 RGHFMXSNELBMLK-UHFFFAOYSA-N 408.907 3.208 0 40 HGAB O=C(c1cc(S(=O)(=O)N2CCc3ccccc3C2)ccc1Cl)N1CCCC1 21898514 NBVAPUMFNMDLOB-UHFFFAOYSA-N 404.919 3.323 0 40 HGAB Cc1ccc([C@@H](CNC(=O)c2ccccc2Br)N2CCN(C)CC2)cc1 22794917 IAWOSJOBWVJLKG-HXUWFJFHSA-N 416.363 3.476 0 40 HGAB CC(C)(C)NC(=O)NC[C@@H](c1ccc2c(c1)OCO2)N1CCN(c2ccccc2)CC1 22851301 PSPWEZNVLUFDOC-FQEVSTJZSA-N 424.545 3.376 0 40 HGAB Cc1nc(COc2ccccc2C(=O)N[C@H](C)c2ccc(-n3cncn3)cc2)no1 23694361 MKAHMJZPFVJEHM-CQSZACIVSA-N 404.430 3.029 0 40 HGAB COc1ccc(S(=O)(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1F 30289730 MJDLNUCIBFXCEJ-UHFFFAOYSA-N 418.412 3.364 0 40 HGAB COc1ccc(CN2CCN(C(=O)c3cn(C)c4ccccc34)CC2)c(OC)c1OC 30535881 DDABJWLZUOVHRA-UHFFFAOYSA-N 423.513 3.162 0 40 HGAB CCn1c(=O)c2ccccc2n(CC(=O)N(Cc2ccccc2)c2ccccc2)c1=O 32808711 COQJVSXALRRNPW-UHFFFAOYSA-N 413.477 3.417 0 40 HGAB O=C(NC1CC1)c1cc(NC[C@H]2CN(Cc3ccccc3)CCO2)nc2ccccc12 32837505 WNEHNUBZBLYUDR-FQEVSTJZSA-N 416.525 3.440 0 40 HGAB O=C(OCc1nccn1C(F)F)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O 32853913 XHFYGLGRLOLJLF-UHFFFAOYSA-N 401.325 3.024 0 40 HGAB COc1cn(-c2cccc(C(F)(F)F)c2)nc1C(=O)O[C@H](C)C(=O)NC(C)(C)C 32899336 UINLFLPRLDJHOQ-LLVKDONJSA-N 413.396 3.360 0 40 HGAB COC(=O)[C@H](Cc1c[nH]c2ccccc12)NCC(=O)Nc1cccc(C(F)(F)F)c1 34858940 SOSFFYFRAYXEJN-SFHVURJKSA-N 419.403 3.499 0 40 HGAB O=C(CN1CCN(C(=O)c2ccccc2)CC1)Nc1c2c(nc3ccccc13)CCC2 36006938 QHDNLUFLAKGBHX-UHFFFAOYSA-N 414.509 3.120 0 40 HGAB biogenic CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1ccc(OC)c(O)c1Cl 36612791 ANEJPHRSFVUOBU-UHFFFAOYSA-N 409.866 3.415 0 40 HGAB Cc1cc(C(=O)N[C@H](C)Cc2cn(C)nc2C)c2c(C)nn(Cc3ccccc3)c2n1 36614345 OUVBAFNCUPIEGC-OAHLLOKOSA-N 416.529 3.499 0 40 HGAB O=C(c1cccc(OC[C@@H]2CCCO2)c1)N1CCC(c2nnc3ccccn23)CC1 40047173 LHHSEYLMGLMDCP-FQEVSTJZSA-N 406.486 3.307 0 40 HGAB CCN(CC)CCOc1ccccc1CNC(=O)c1cccc(C[S@@](C)=O)c1 40107650 CZMCDZYBRGNFSW-NDEPHWFRSA-N 402.560 3.216 0 40 HGAB Cc1nc2n(c1CCNC(=O)C1CCN(C(=O)/C=C/c3ccccc3)CC1)CCCC2 40158052 HOZYQXLEIORNIP-ZHACJKMWSA-N 420.557 3.139 0 40 HGAB O=C(NCc1ccc(F)cc1)c1ccc(Oc2nccnc2N2CCOCC2)cc1 49006067 IJBIFPJDQINRHA-UHFFFAOYSA-N 408.433 3.175 0 40 HGAB O=C(Cc1nnc(-c2ccc3ncccc3c2)o1)N1CCN(c2ccccc2F)CC1 49409435 ABTBYFNAYRCIJC-UHFFFAOYSA-N 417.444 3.315 0 40 HGAB COC(=O)CCN(Cc1ccccc1)C(=O)CCC(=O)c1ccc2c(c1)OCCO2 55434529 NQPGGJVKZJNPIO-UHFFFAOYSA-N 411.454 3.013 0 40 HGAB CCC[C@@H](c1nnnn1C[C@@H]1CCCO1)N1CCN(c2cc(Cl)ccc2C)CC1 57670281 CRVHXDDCXYMEDM-OALUTQOASA-N 418.973 3.477 0 40 HGAB Cc1c(C(=O)Nc2ccc(CCN3CCC(O)CC3)cc2)cnn1-c1ccccc1 78947461 PISPVNOCABRBOS-UHFFFAOYSA-N 404.514 3.432 0 40 HGAB Cn1cc(CN2CCC3(CC2)C[C@H](CC(=O)NCC2CC2)c2ccccc2O3)cn1 96053091 KJFOQCYGEZHQIC-FQEVSTJZSA-N 408.546 3.237 0 40 HGAB Cn1cc(CC(=O)N2CC[C@@H](S(=O)(=O)c3ccc(Cl)cc3)C2)c2ccccc21 96103485 LLMOHTUVWWGXHA-GOSISDBHSA-N 416.930 3.449 0 40 HGAB COCCNC(=O)c1cc(-c2cn(Cc3csc(C)n3)c(C)n2)n2ccccc12 96154961 PRVKKSAYELKRLW-UHFFFAOYSA-N 409.515 3.301 0 40 HGAB Cc1cc(C)n(CCCC(=O)N2CCC[C@H]2c2cc3nc4c(c(O)n3n2)CCCC4)n1 100139339 BXBQJBOPIPSNDH-FQEVSTJZSA-N 422.533 3.271 0 40 HGAB CC(=O)Nc1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc3ccccc3c2)cc1 105937429 ATMXGQLNVNADMP-AWEZNQCLSA-N 411.483 3.104 0 40 HGAB CC(=O)N[C@H](CC(=O)N[C@@H](c1ccccc1)[C@H](C)C(=O)O)c1c(F)cccc1F 108117730 CZZQPFQCSKYAJP-LCIZUOBNSA-N 404.413 3.110 0 40 HGAB CCOC(=O)[C@H]1C(=O)N(CCCOC)c2nc3ccccc3n2[C@@H]1[C@@H]1CC=CCC1 216581419 LXQLQHPRFBRXQO-NSISKUIASA-N 411.502 3.496 0 40 HGAB Nc1ccc2nn(-c3cccc(I)c3)nc2c1Br 216872008 PBECCNWFXVVSBE-UHFFFAOYSA-N 415.032 3.370 0 40 HGAB CCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)COc1ccccc1 223033608 ZSALUWLYLXEOJT-HNNXBMFYSA-N 419.319 3.381 0 40 HGAB CC(C)n1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c1 223171341 PXLGOZXSKVUMJO-SFTDATJTSA-N 413.591 3.159 0 40 HGAB COc1cccc(OCCNS(=O)(=O)c2ccc(OC)c(Cl)c2Cl)c1 223852848 LMZVWEHZINSZMY-UHFFFAOYSA-N 406.287 3.368 0 40 HGAB COc1ccc(S(=O)(=O)NCc2cccc(Cl)c2)cc1C(=O)N1CCCCC1 223872403 GILROIASLKJKEX-UHFFFAOYSA-N 422.934 3.453 0 40 HGAB COc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)Nc3cccnc3)cc2)cc1 224438824 KCDDRCGCADJJDN-UHFFFAOYSA-N 411.483 3.163 0 40 HGAB CNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)Cc1cccc(C)c1 225470034 HZUPUBIMXGAZFU-HNNXBMFYSA-N 403.320 3.463 0 40 HGAB Cc1cc(C)cc(N(CC(=O)Nc2nnc(SC(C)C)s2)S(C)(=O)=O)c1 225764320 XZPQSOAOJFYDMZ-UHFFFAOYSA-N 414.578 3.060 0 40 HGAB COCCN1CC=CC[C@H](C2CCN(C(=O)c3cc(Cl)ccc3OC)CC2)C1=O 257244083 IJUBBGXFKSABJZ-GOSISDBHSA-N 420.937 3.252 0 40 HGAB COc1ccc([C@@H]2CN(C(=O)C3(Cc4ccccc4)CCN(C)CC3)CCN2C)cc1 257264200 LTHYRVPCMCCIOP-DEOSSOPVSA-N 421.585 3.465 0 40 HGAB Cc1n[nH]c(C)c1CCC(=O)N1CCO[C@H](c2cccc(Nc3ccccn3)n2)C1 257270115 MSVOCYGPSZMMRD-IBGZPJMESA-N 406.490 3.093 0 40 HGAB COCCC(=O)N1CC[C@H](Oc2ccccc2)[C@@H](CC(=O)N(C)Cc2ccccc2)C1 257287473 PQDOWOWPLNDFFZ-GMAHTHKFSA-N 424.541 3.368 0 40 HGAB CN(C)c1cccc(C(=O)N2CCO[C@]3(CCCC[C@H]3NCc3cccnc3)C2)c1 306128747 HJMUWFBUXRTCGW-ISKFKSNPSA-N 408.546 3.091 0 40 HGAB COC(=O)c1ccc([C@H]2C3=C(CN(C(C)=O)C3=O)Nc3cccc4c3c2cn4C)cc1 604405755 VHCWNYOEPCJHQN-HXUWFJFHSA-N 415.449 3.165 0 40 HGAB biogenic O=C(Nc1ccc(-c2nn[nH]n2)cc1)c1cccc(OCc2cn3ccccc3n2)c1 621118615 SVNWIKJWBHJWSX-UHFFFAOYSA-N 411.425 3.346 0 40 HGAB Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@@H]1CCc2nc(N(C)C)ncc2C1 675008093 YHWWLJCPOBQDCC-CQSZACIVSA-N 411.893 3.447 0 40 HGAB O=C(NCC1(OCCO)CCSCC1)NC(c1ccccc1)c1ccccc1 828765490 WLZMNRCESUHDCM-UHFFFAOYSA-N 400.544 3.350 0 40 HGAB COc1cc2c(cc1OC)[C@H]1Cc3c(cnc4nc5ccccc5n34)C(=O)N1CC2 1390392 DGOPHSLXOUGYGF-GOSISDBHSA-N 400.438 3.195 0 40 HGAB CCN1CCc2c(OCC(=O)Nc3ccc(Br)cc3)cccc2C1=O 2716299 OOMJVUXIMXPTJG-UHFFFAOYSA-N 403.276 3.485 0 40 HGAB Cc1c(C(=O)OC(C)C)sc2ncn(CC(=O)OC3CCC(C)CC3)c(=O)c12 2887976 NPUBHWJPACHFGR-UHFFFAOYSA-N 406.504 3.454 0 40 HGAB O=C1COc2ccc(C(=O)COC(=O)COc3ccccc3-c3ccccc3)cc2N1 3225893 VINMFSNUTFPSSW-UHFFFAOYSA-N 417.417 3.489 0 40 HGAB Cc1ccc(C)c(-n2c(C)cn3c4c(=O)n(Cc5ccccc5)c(=O)n(C)c4nc23)c1 4370379 JGAKAYCTXOFJNH-UHFFFAOYSA-N 413.481 3.112 0 40 HGAB O=C(COc1ccc(S(=O)(=O)NCc2ccccc2)cc1Cl)NC1CCCC1 4778081 WCOLSCLWJOZKDL-UHFFFAOYSA-N 422.934 3.256 0 40 HGAB Cc1cccc(N(CC(=O)NC2CCCC2)C(=O)CCC(=O)Nc2cc(C)on2)c1 4875612 PVSYDWMHYVLSIZ-UHFFFAOYSA-N 412.490 3.102 0 40 HGAB COc1cccc(-c2ccc(SCC(=O)NCc3ccc4c(c3)OCO4)nn2)c1 5108066 DQRYVJWDDWICJQ-UHFFFAOYSA-N 409.467 3.289 0 40 HGAB Cc1cccc(OCC(=O)N(Cc2ccc(F)cc2)[C@H]2CCS(=O)(=O)C2)c1C 5180360 JKBZCPYPAOWCDE-IBGZPJMESA-N 405.491 3.037 0 40 HGAB COc1ccc(-n2nc3ccc(NC(=O)c4ccc5c(c4)OCCO5)cc3n2)cc1 5197798 QBWFQTUBXNMSDO-UHFFFAOYSA-N 402.410 3.453 0 40 HGAB CCC[C@H](C)NC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O 6324895 ZIIYUPXQAHSQMA-JTQLQIEISA-N 400.850 3.430 0 40 HGAB Cc1ccc2nc(CSc3nnc(N4CCOCC4)n3Cc3ccccc3)cn2c1 7073413 RHKBJVAFVWYYPJ-UHFFFAOYSA-N 420.542 3.411 0 40 HGAB CCc1nnc(S/C(=C\c2cc(Br)cc(OC)c2O)C(=O)O)[nH]1 7342414 BIRBSZPCFUWCKJ-YHYXMXQVSA-N 400.254 3.062 0 40 HGAB COc1ccc(Cc2nnc3n2N=C(c2cccs2)[C@@H](CC(=O)O)S3)cc1 8391827 DJJFBOSMWAWMNR-CQSZACIVSA-N 400.485 3.140 0 40 HGAB COc1ccc(C)c2sc(N(C[C@@H]3CCCO3)C(=O)c3cc(C)n(C)n3)nc12 9122319 XVPGMAWDCWVLEU-AWEZNQCLSA-N 400.504 3.481 0 40 HGAB COc1ccc(-c2csc(NC(=O)Cn3cnc4ccccc4c3=O)n2)cc1OC 9126249 NKVYPUNBKNDBID-UHFFFAOYSA-N 422.466 3.176 0 40 HGAB O=C(NCCOc1ccccc1)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 9223240 ICHLPKIIMLDPKF-UHFFFAOYSA-N 422.506 3.247 0 40 HGAB CC(=O)Nc1ccc(NC(=O)CSc2ccc3nnc(-c4ccccc4)n3n2)cc1 9414821 YFSAKKIUYRTLMB-UHFFFAOYSA-N 418.482 3.481 0 40 HGAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(-c3ccccc3)cc(C(=O)N3CCCC3)c12 11696081 MGNQHLVZZGLYDJ-QGZVFWFLSA-N 424.526 3.002 0 40 HGAB COc1ccc([C@H](O)CN2CCC(NC(C)=O)(c3ccccc3F)CC2)cc1OC 12188407 XJAXBXCLPMQPBW-HXUWFJFHSA-N 416.493 3.004 0 40 HGAB CCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)N3C[C@H](C)O[C@@H](C)C3)c2)cc1 12521340 FWYSUPOAQZVVLD-HOTGVXAUSA-N 418.515 3.136 0 40 HGAB O=C(COc1c(I)cc(Cl)c2cccnc12)NCC1CC1 12562468 ZMFQPRYAOHXKAD-UHFFFAOYSA-N 416.646 3.398 0 40 HGAB COc1cc(C(=O)Nc2ccc(SC(F)F)cc2)cc(OC)c1OCC(N)=O 12754015 GKNRQUNBYIYQLI-UHFFFAOYSA-N 412.414 3.135 0 40 HGAB CCOC(=O)Nc1cccc(C(=O)O[C@H](C)C(=O)c2ccc3c(c2)NC(=O)CO3)c1 12852977 GQRSFAHMCOVXMA-GFCCVEGCSA-N 412.398 3.014 0 40 HGAB COc1cc(CNC(=O)N[C@H](C)c2ccc3c(c2)OCCO3)cc(OC)c1OC 12879345 KRJNGKBIJFEKLL-CYBMUJFWSA-N 402.447 3.044 0 40 HGAB COc1cc(C)c(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(C)s2)cc1OC 12950907 DPNHKDFLLALSEL-HNNXBMFYSA-N 424.544 3.174 0 40 HGAB O=C(O)c1sccc1S(=O)(=O)NCc1ccc(COCC(F)(F)F)cc1 13016807 LBLRGTWLGODQQQ-UHFFFAOYSA-N 409.407 3.004 0 40 HGAB COc1cc(OC)c(OC)cc1/C=C/C(=O)Nc1cc(OC)c(OC)cc1C(=O)O 13169076 XMSLFSDAKCDZSJ-VOTSOKGWSA-N 417.414 3.080 0 40 HGAB CCCOc1ccc(-c2csc(NC(=O)[C@H]3CCCN(S(C)(=O)=O)C3)n2)cc1 13789994 HUJMVPMOANEUOC-HNNXBMFYSA-N 423.560 3.209 0 40 HGAB O=C([C@H]1COc2ccccc2O1)N1CCN(c2nc3c(F)cc(F)cc3s2)CC1 15391712 BJQJXVKQSPOLBI-MRXNPFEDSA-N 417.437 3.063 0 40 HGAB COC(=O)c1cc(C(C)C)nc2c1c(-c1cccs1)nn2[C@@H]1CCS(=O)(=O)C1 16850661 YWXFXPHSQQNDLF-GFCCVEGCSA-N 419.528 3.429 0 40 HGAB O=C(CSc1nc2[nH]ncc2c(=O)n1-c1ccccc1)N1CCCc2ccccc21 18032099 WNEKZWPTJUMKHF-UHFFFAOYSA-N 417.494 3.180 0 40 HGAB COc1ccc(OCCN(C)C(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)cc1 18125144 XTXZJGSFIMEQLC-UHFFFAOYSA-N 414.477 3.224 0 40 HGAB CN1CC[C@H](c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)[C@@H](O)C1 18825328 BIIVYFLTOXDAOV-SJCJKPOMSA-N 401.846 3.305 0 40 HGAB biogenic,in-vitro Cc1nc([C@H](Cc2c[nH]c3ccccc23)NC(=O)Cc2ccccc2F)cc(=O)[nH]1 19285123 HECYPVNBXQKKEE-FQEVSTJZSA-N 404.445 3.341 0 40 HGAB O=C(CCCc1nc(-c2ccccn2)no1)Nc1ccc(N2CCOCC2)c(F)c1 19403126 JZEUUNSREJBKEV-UHFFFAOYSA-N 411.437 3.069 0 40 HGAB COc1ccc2c(c1)C[C@H](C1CCOCC1)N(C(=O)CCc1cc(OC)no1)C2 19562455 IIXZKZHDCWVRAS-HXUWFJFHSA-N 400.475 3.005 0 40 HGAB COc1cccc(CC(=O)N2CCC[C@H]([C@@H]3C[C@H](C(F)(F)F)n4ncnc4N3)C2)c1 19564210 AWOGUWJOUQOZSX-BHYGNILZSA-N 423.439 3.056 0 40 HGAB Cc1ccc2c(c1)cc(C(=O)N1CCC[C@H](NC(=O)c3cnc(C)cn3)CC1)n2C 19749105 KXBMLLKZIKWBMD-SFHVURJKSA-N 405.502 3.010 0 40 HGAB COc1ccc([C@@H](CC(=O)N2CCCC2)N(C)S(=O)(=O)c2ccccc2)cc1 19936133 WKNQNRHQLWPVLF-HXUWFJFHSA-N 402.516 3.070 0 40 HGAB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(OC)c(Cl)c1 20005902 IJUIIVGIXPJMSX-KDOFPFPSSA-N 424.950 3.153 0 40 HGAB CCOC(=O)c1ccc(NC(=O)c2ccc3c(c2)C[C@@H](C)N3S(=O)(=O)CC)cc1 20449143 WVSHZIXEMVFQHP-CQSZACIVSA-N 416.499 3.216 0 40 HGAB Cc1ccc2c(c1)[C@@H](NC(=O)CN(c1ccccc1C)S(C)(=O)=O)CC(C)(C)O2 22327072 AYGWGCZVFHTDEK-SFHVURJKSA-N 416.543 3.488 0 40 HGAB COc1ccccc1N(CC(=O)N[C@H](CC(C)C)c1ccccc1)S(C)(=O)=O 22511527 YFODXQGOUFOEEP-GOSISDBHSA-N 404.532 3.365 0 40 HGAB Cc1ccc2sc(N3CCN(CCNC(=O)COc4ccccc4)CC3)nc2c1C 22855270 RESWPSZLVAAOEO-UHFFFAOYSA-N 424.570 3.230 0 40 HGAB O=C1c2ccccc2C(=O)N1CN1CCN(Cc2csc(-c3ccccc3)n2)CC1 22913228 KOKKEMNCTKRSIP-UHFFFAOYSA-N 418.522 3.181 0 40 HGAB Cc1ccc(S(C)(=O)=O)cc1NS(=O)(=O)c1ccccc1OC(F)(F)F 23395338 WUCUNZLYUABGMB-UHFFFAOYSA-N 409.407 3.098 0 40 HGAB O=C(Nc1ccc2nc(N3CCOCC3)sc2c1)c1cccnc1N1CCCC1 23934800 CSCLHLGUPZZTJO-UHFFFAOYSA-N 409.515 3.380 0 40 HGAB C[C@H](C(=O)Nc1cccc(NC(=O)c2cccs2)c1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 24030890 XLQRYYOQHPQMOM-COXVUDFISA-N 423.494 3.279 0 40 HGAB Cc1ccc(N2C[C@H](C(=O)O[C@@H](C)C(=O)NCc3ccc(Cl)cc3)CC2=O)cc1 24077167 MIDOJDBSLDGDRZ-DOTOQJQBSA-N 414.889 3.249 0 40 HGAB Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)NCc3cccc(C(F)(F)F)c3)C2=O)cc1 25981979 FMWCFCUEWVQPHG-HXUWFJFHSA-N 419.403 3.097 0 40 HGAB COc1ccc(F)cc1S(=O)(=O)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 26843376 ITNNLMHCAVYNAY-UHFFFAOYSA-N 408.539 3.109 0 40 HGAB COc1ccc(CCN(C)C(=O)[C@@H]2CC(=O)N(Cc3ccc(C)cc3)C2)cc1OC 30863478 CDQMNYWWOIZLEF-HXUWFJFHSA-N 410.514 3.062 0 40 HGAB CCN(CC)[C@H](CNC(=O)[C@H](C)NC(=O)/C=C/c1ccccc1)c1cccc(OC)c1 32753486 JBXPZGMKSLMVHU-YJFHSFOWSA-N 423.557 3.412 0 40 HGAB CC(=O)Nc1cccc(C(=O)N2CCC(C(=O)NCc3ccc(C)c(F)c3)CC2)c1 32931526 VRZSQIFPMNKHQU-UHFFFAOYSA-N 411.477 3.261 0 40 HGAB CCc1ccc(NC(=O)Cn2nnc(-c3ccccc3NC(=O)c3ccco3)n2)cc1 35289173 IOHTXQCLYHUWCB-UHFFFAOYSA-N 416.441 3.387 0 40 HGAB COC(=O)c1c(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)sc2c1CCN(C)C2 36051108 QUNROBMAYOKWAB-VMPITWQZSA-N 401.444 3.083 0 40 HGAB O=C(NCC1(c2ccc3c(c2)OCCO3)CCCC1)[C@@H]1CCCN(c2cnccn2)C1 40071346 NVOHHTWDZKORSE-GOSISDBHSA-N 422.529 3.092 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCCN(C(=O)Cc3csc(C(C)C)n3)CC2)cc1 40093278 JRPIGQPUDAHEEF-UHFFFAOYSA-N 421.588 3.041 0 40 HGAB COc1ccc(NC(=O)c2ccc(Oc3nccnc3N3CCOCC3)cc2)cc1 49006040 JSXKIZDAPQOIMH-UHFFFAOYSA-N 406.442 3.366 0 40 HGAB CNC(=O)[C@H]1CN(Cc2c(C)nn(Cc3ccccc3)c2Cl)c2ccccc2O1 52049092 ZHUGUPKEUCQEPA-HXUWFJFHSA-N 410.905 3.407 0 40 HGAB COc1ccc(-n2nnn(CN3CCN(c4cccc(Cl)c4)CC3)c2=S)cc1 56552649 XNFYRQJAXZONFM-UHFFFAOYSA-N 416.938 3.240 0 40 HGAB COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1C(=O)Cc1ccc(F)cc1 60388114 QIPMEFYMYVJQPT-SFHVURJKSA-N 401.434 3.075 0 40 HGAB Cc1ccc(-c2ncc3c(=O)n(CC(=O)Nc4ccc(C)c(F)c4)cnc3n2)cc1 62006745 LLBHGZYZUDLOGB-UHFFFAOYSA-N 403.417 3.248 0 40 HGAB COc1ccccc1-n1ccn2c(SCC(=O)c3ccc(C)cc3C)nnc2c1=O 64593219 JYRJVOWFGVJDNS-UHFFFAOYSA-N 420.494 3.481 0 40 HGAB Cc1cc2nc(SCC(=O)NCc3ccc(F)cc3)n(CC(C)C)c(=O)c2[nH]1 67237759 ASDIIHLNEKNHGF-UHFFFAOYSA-N 402.495 3.237 0 40 HGAB O=C(CN1N=C(C(=O)Nc2ccc(F)cc2)CCC1=O)Nc1ccc(F)c(Cl)c1 67336836 BFKQTSUMLCRINY-UHFFFAOYSA-N 420.803 3.174 0 40 HGAB CS(=O)(=O)c1ccc([C@@H](O)Cn2nc(-c3ccccc3)c3ccccc3c2=O)cc1 69484912 KIYDHWZCUCMTGI-NRFANRHFSA-N 420.490 3.201 0 40 HGAB O=C(C1CC1)N1CCC(c2cc3nc4c(c(O)n3n2)CN(C2CCCCC2)CC4)CC1 72330524 YZILRTQQAFAGAY-UHFFFAOYSA-N 423.561 3.242 0 40 HGAB CCN1C[C@H](c2cc(NC)n3ncc(C(=O)Nc4ccc(Cl)cc4)c3n2)CC1=O 72352925 CBRQDXKBKFBUFP-GFCCVEGCSA-N 412.881 3.013 0 40 HGAB COC(=O)Cc1csc(N(C)C(=O)c2ccc(OC3CCCC3)c(OC)c2)n1 78813200 CFWLHTLNEHCHED-UHFFFAOYSA-N 404.488 3.465 0 40 HGAB COCCN(CC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1)C(=O)OC(C)(C)C 79024588 VBXPKKYANUBTPK-QUCCMNQESA-N 419.566 3.039 0 40 HGAB COc1cc(NC(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)ncc1Br 95447640 OTJDLWYZNSQFEM-CQSZACIVSA-N 420.263 3.223 0 40 HGAB O=C(C[C@H]1CC2(CCN(Cc3nccs3)CC2)c2ccccc21)N1CCOCC1 96052804 YTQPECKHCFAVQU-SFHVURJKSA-N 411.571 3.413 0 40 HGAB O=C1CCCN1Cc1ncn2c1CN(C(=O)c1ccc(C(F)(F)F)cc1)CCC2 96259371 DDXRFAVMPYGBHH-UHFFFAOYSA-N 406.408 3.070 0 40 HGAB CN(C(=O)Cc1cc2c(cc1Br)OCCO2)c1ccc2c(c1)CCO2 97228048 DOHWGJUREKHRQC-UHFFFAOYSA-N 404.260 3.361 0 40 HGAB CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)OC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)cc1 102445656 RHNVDIDQZIJJOC-QZWWFDLISA-N 422.547 3.070 0 40 HGAB Cc1nccn1-c1ccccc1CNS(=O)(=O)c1ccc(Br)s1 216257831 PYMSNFKYHYMFFE-UHFFFAOYSA-N 412.334 3.483 0 40 HGAB C[C@@H](C(=O)NCc1ccncc1)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1 222917720 PAQNIRHZUWSQGZ-SFHVURJKSA-N 405.473 3.497 0 40 HGAB COc1ccc(Cl)cc1NS(=O)(=O)c1nnc(NC(=O)c2ccccc2)s1 223119501 ALEZCSINYJYPRH-UHFFFAOYSA-N 424.891 3.253 0 40 HGAB COCc1cccc(NS(=O)(=O)c2nnc(NC(=O)c3ccccc3C)s2)c1 225188689 AMWSMAXQMVIXDV-UHFFFAOYSA-N 418.500 3.046 0 40 HGAB Cc1ccc2c(c1)[C@H](NS(=O)(=O)c1ccc3c(c1)sc(=O)n3C)CC(C)(C)O2 225681849 JREWKMDKSKHNIX-OAHLLOKOSA-N 418.540 3.489 0 40 HGAB Cc1c(Cl)cccc1NC(=O)C(=O)NC[C@](O)(c1ccco1)c1cccs1 238822612 CZYQJQTYEFZLFG-IBGZPJMESA-N 404.875 3.294 0 40 HGAB COc1ccc(S(=O)(=O)NC[C@@](O)(c2ccsc2)c2ccco2)cc1Cl 253473034 RCCHDGYJIARZEW-QGZVFWFLSA-N 413.904 3.218 0 40 HGAB CNC(=O)C1(Cc2ccccc2-c2ccncc2)CCN(C(=O)c2ccncc2)CC1 257274636 NLYCNBCJRIMWDZ-UHFFFAOYSA-N 414.509 3.355 0 40 HGAB Cc1cc(C)n(Cc2cccc(C(=O)NS(=O)(=O)c3ccc(Cl)cc3)c2)n1 257315178 VAGLMUDZQJAMHK-UHFFFAOYSA-N 403.891 3.320 0 40 HGAB CCOc1ccc(N([C@H](C)C(=O)N[C@H](C)c2ccc(OC)cc2)S(C)(=O)=O)cc1 260449369 BKXBSSQXFKYLJE-HZPDHXFCSA-N 420.531 3.126 0 40 HGAB Cc1ncsc1C(=O)N[C@@H]1CCCC[C@@]12CN(C[C@H]1C[C@@H]3C=C[C@H]1C3)CCO2 306124341 BMYJZPSYNRLJRA-ZPXGPAEQSA-N 401.576 3.407 0 40 HGAB Cc1cnc(N2CC[C@H](NC(=O)C(C)C)[C@@]3(CCN(Cc4cccs4)C3)C2)nc1 306136051 PHNIALQQRMGAAE-SIKLNZKXSA-N 413.591 3.090 0 40 HGAB COc1ccc(OC)c(NC(=O)[C@@H](C)N(c2cc(C)cc(C)c2)S(C)(=O)=O)c1 409381886 OMIIDJAUEINKMA-OAHLLOKOSA-N 406.504 3.114 0 40 HGAB O=C(NCCc1ccccc1)c1ccc(NC(=O)N2CC[C@@H](N3CCCC3)C2)cc1 524044154 OXIYRBSWZMMGGM-JOCHJYFZSA-N 406.530 3.361 0 40 HGAB Cc1nc(-c2ccccc2F)sc1C(=O)N1CCN(c2cc3c(nn2)CCC3)CC1 575618371 AYQRCXJWLFHFOW-UHFFFAOYSA-N 423.517 3.499 0 40 HGAB COc1cccc(CN2C[C@H]3CN(S(=O)(=O)Cc4cccc(C)c4)CC[C@@H]32)c1 585107996 SMAUHBPXDGGIEU-UNMCSNQZSA-N 400.544 3.040 0 40 HGAB Cc1cc(C)nc(Nc2cc(C)nc([C@H]3CCCCN3C(=O)/C=C/CN(C)C)n2)n1 585292973 VBGJHRAKXXTUQE-XSFOEPMVSA-N 409.538 3.107 0 40 HGAB O=S(=O)(c1ccccc1Cl)N1CCC(c2nnc3ccc(C4CC4)nn23)CC1 1888920890 FUBRYAWWNZYGBW-UHFFFAOYSA-N 417.922 3.223 0 40 HGAB O=C(c1cnc2ccccc2n1)N1CCC(Oc2ncc(-c3ccncc3)cn2)CC1 1889263467 VJZWDANTKDVPKM-UHFFFAOYSA-N 412.453 3.165 0 40 HGAB COc1ccc(NC(=O)C2=C(C)NC(=S)N[C@H]2c2ccccc2OC)c(OC)c1 909818 JYKVEDYBYBDJGJ-IBGZPJMESA-N 413.499 3.144 0 40 HGAB O=C(O)COc1ccc([C@H]2Nc3ccccc3S(=O)(=O)N2Cc2ccccc2)cc1 2502573 FUIVQSUYBNUZPT-QFIPXVFZSA-N 424.478 3.465 0 40 HGAB O=C(NC(=S)Nc1ncccn1)c1cn(-c2ccccc2)nc1-c1ccccc1 3195915 YVJXLYAJCFJDBJ-UHFFFAOYSA-N 400.467 3.456 0 40 HGAB COc1cc(CCC(=O)OCC(=O)Nc2c(F)cccc2F)cc(OC)c1OC 3216999 UWSIWWQNKNGQDI-UHFFFAOYSA-N 409.385 3.105 0 40 HGAB CCS(=O)(=O)c1ccc2oc(SCC(=O)N3CCc4ccccc43)nc2c1 3234921 CFFRNWJYOOXIQO-UHFFFAOYSA-N 402.497 3.303 0 40 HGAB CCOC(=O)C1=C(N)Oc2c(c(=O)[nH]c3c(C)cccc23)[C@H]1c1ccc(OC)cc1 3984338 WTRUADIQGFCSSR-MRXNPFEDSA-N 406.438 3.103 0 40 HGAB biogenic CCOc1ccc(-c2nnc3ccc(SCC(=O)NCc4ccco4)nn23)cc1 4102060 NELGAWQAPWTPIT-UHFFFAOYSA-N 409.471 3.192 0 40 HGAB COc1ccccc1NC(=S)N(CCCO)Cc1cc2ccc(C)cc2[nH]c1=O 4127024 CXAWIQKSNONZOB-UHFFFAOYSA-N 411.527 3.427 0 40 HGAB CC(C)CCn1c(=O)c2c(nc3n2C[C@@H](C)CN3c2cccc(Cl)c2)n(C)c1=O 4249457 DZCHSOBPXUMMSR-AWEZNQCLSA-N 415.925 3.384 0 40 HGAB COC(=O)Cn1/c(=N/C(=O)c2ccc3c(c2)OCCO3)sc2c(C)cc(C)cc21 4271381 QPXCADXBDDWBHP-DQRAZIAOSA-N 412.467 3.005 0 40 HGAB Cc1ccc(-n2ncc3c(=O)n(CC(=O)Nc4cccc(C)c4C)cnc32)c(C)c1 4479257 PZWDZZHBNXHGFV-UHFFFAOYSA-N 401.470 3.455 0 40 HGAB COc1cc([C@@H]2c3cc4c(cc3O[C@]3(O)CCC[C@H]23)OCO4)cc(OC)c1OC 4592764 CWOWDHSRSSJSHJ-JEWAVWJGSA-N 400.427 3.454 0 40 HGAB CCCOC(=O)c1ccc(N2C[C@H](C(=O)OCC(=O)c3ccc(C)cc3)CC2=O)cc1 4610572 RNGSCRDGUVZLKT-LJQANCHMSA-N 423.465 3.341 0 40 HGAB Cc1ccc(S(=O)(=O)CC(=O)c2ccc(I)cc2)cc1 4776234 TUCCGNUNJPNLCP-UHFFFAOYSA-N 400.237 3.256 0 40 HGAB CCCC(=O)N(CC(=O)Nc1sc(C)c(C)c1C(N)=O)Cc1ccc(F)cc1 4881776 JINHXWOJZNAEHW-UHFFFAOYSA-N 405.495 3.370 0 40 HGAB O=C(Cc1ccc(Cl)cc1)Nc1c2c(nn1-c1ccccc1)CS(=O)(=O)C2 5077969 PDLPKNCGYNJYDU-UHFFFAOYSA-N 401.875 3.135 0 40 HGAB CC(C)[C@H](NC(=O)OC(C)(C)C)c1nnc(S(=O)(=O)Cc2cccc(F)c2)o1 5215825 MLCFSHIKRQNMKY-AWEZNQCLSA-N 413.471 3.404 0 40 HGAB CC(C)(C)OC(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](C(=O)O)c1ccccc1 5323472 AZZXGZFNHPVHPA-RBUKOAKNSA-N 410.470 3.291 0 40 HGAB Cc1ccc(Cl)c(OCc2nnc(SCC(=O)Nc3ccccc3)n2N)c1 6203899 VDSKKGKTVZYTPW-UHFFFAOYSA-N 403.895 3.264 0 40 HGAB Cc1cc(C)cc(NC(=O)Cn2c(=O)n(Cc3ccco3)c(=O)c3sccc32)c1 6678766 DPXYVCLSBZAVFI-UHFFFAOYSA-N 409.467 3.122 0 40 HGAB CCOc1ccc(C(=O)N[C@H](C(=O)Nc2ccc(OC)c(OC)c2)C(C)C)cc1 7057165 CDGCKYIOWGCWOW-FQEVSTJZSA-N 400.475 3.496 0 40 HGAB Cc1ccc2c(COC(=O)/C(=C/c3ccccc3)n3nnnc3C)cc(=O)oc2c1 7737187 UIWSCEZIGJKHAR-ODLFYWEKSA-N 402.410 3.138 0 40 HGAB CC1=C(C(=O)N2CCOCC2)[C@@H](c2ccccc2F)NC(=O)N1Cc1ccccc1 8263838 RJNSJQSPZMJPBJ-OAQYLSRUSA-N 409.461 3.225 0 40 HGAB C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)Oc3ccc4c(c3)CCC4)c2)C[C@@H](C)O1 8327588 RREBHAGBHMDDLX-HZPDHXFCSA-N 415.511 3.192 0 40 HGAB C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1)C1CC1 8357082 GUIJGCMEMOROKA-LLVKDONJSA-N 405.347 3.309 0 40 HGAB c1ccc(-c2nnc(CSc3nnc(N4CCOCC4)n3-c3ccccc3)o2)cc1 8708428 XNBORQUEPAAQGQ-UHFFFAOYSA-N 420.498 3.446 0 40 HGAB COc1ccc([C@H]2N(C(=O)N(C)C)[C@@H](C)CN2S(=O)(=O)c2ccc(C)cc2)cc1 9668758 UXBFTYQTKXXWIO-OXJNMPFZSA-N 417.531 3.079 0 40 HGAB Cn1c(=O)n(Cc2cccc3ccccc23)c(=O)c2c1nc1oc(C(C)(C)C)cn12 9789831 WHLDZVUHWBOTIK-UHFFFAOYSA-N 402.454 3.440 0 40 HGAB COc1ccc2c(c1)N[C@@]1(COC3(CCN(Cc4ccnn4C)CC3)C1)c1cccn1-2 12086192 FGEGYIPEEFAOCO-DEOSSOPVSA-N 419.529 3.295 0 40 HGAB CC(=O)Nc1ccc(NC(=O)c2cc(N3CCCCS3(=O)=O)ccc2Cl)cc1 12195823 ZIPOHUMSFCSROM-UHFFFAOYSA-N 421.906 3.481 0 40 HGAB CC(=O)c1cccc(S(=O)(=O)Nc2ccccc2C(=O)OCC(=O)C(C)(C)C)c1 12560838 YYDYHDWSOQZSDZ-UHFFFAOYSA-N 417.483 3.462 0 40 HGAB COc1cc([C@H]2Nc3ccccc3C(=O)N2C)cc(I)c1O 12632279 AZNNUGVHHOUCCS-HNNXBMFYSA-N 410.211 3.202 0 40 HGAB COC(=O)c1ccc(NC(=O)CCc2c(C)nc3nc(C(F)(F)F)nn3c2C)cc1 12995678 JBOOLWDQOKSVCL-UHFFFAOYSA-N 421.379 3.118 0 40 HGAB Cc1ccc(NC(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCCO3)c(C)c1 13069667 NIOKWSUTDBODHR-UHFFFAOYSA-N 418.515 3.162 0 40 HGAB O=C(CCCS(=O)(=O)c1ccc(F)cc1)Nc1nnc(Cc2cccs2)o1 13653537 BPHKQXUJBVFEHZ-UHFFFAOYSA-N 409.464 3.054 0 40 HGAB CN(Cc1ccc(OCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1)S(C)(=O)=O 14397016 BRNCOJSNDSAHQH-UHFFFAOYSA-N 417.314 3.402 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCC[C@H]2CC(=O)Nc2ccc(F)cc2)cc1 15391141 OJARMFRCIMYSNS-KRWDZBQOSA-N 406.479 3.406 0 40 HGAB Cc1cc2nc(C[C@@H](NC(=O)c3cnn(C(C)C)c3)c3ccc(F)cc3)cc(O)n2n1 19129913 DNXQCJBVDMKUQL-LJQANCHMSA-N 422.464 3.374 0 40 HGAB O=C(CN1CCN(c2nccs2)CC1)N1c2ccccc2S[C@@H]2C=CC=C[C@H]21 19375607 KDZMIGQIEUDVIF-SJLPKXTDSA-N 410.568 3.267 0 40 HGAB CC(C)N1CCc2nc3cc(C4CCN(C(=O)[C@H]5CC=CCC5)CC4)nn3c(O)c2C1 19448125 COFFOGMIMXFEFD-SFHVURJKSA-N 423.561 3.264 0 40 HGAB CC(C)NC(=O)[C@@]1(Cc2ccccc2-c2cncnc2)CCCN(C(=O)C2CC2)C1 19448679 XYZVOHOHFBRCRY-XMMPIXPASA-N 406.530 3.230 0 40 HGAB COc1ccc(CN2CCC(c3n[nH]cc3C(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)cc1 19497330 XNPVNHNHCLHSGT-IAGOWNOFSA-N 412.534 3.047 0 40 HGAB COc1ccc(OC)c(CN2CCC[C@H]([C@@H]3C[C@H](C(F)F)n4ncnc4N3)C2)c1 19551511 UIBLVSZDBWXBJT-RRQGHBQHSA-N 407.465 3.198 0 40 HGAB CN(C)C(=O)[C@@]1(Cc2ccccc2-c2cncnc2)CCCN(C(=O)C2CCC2)C1 19578884 YJZZJYVLZCOBSJ-XMMPIXPASA-N 406.530 3.183 0 40 HGAB Cc1c([C@H](O)CN2CCC(O)(Cn3cnc4ccccc43)CC2)c2ccccc2n1C 19581797 VIKLMTOUBDCLTD-HSZRJFAPSA-N 418.541 3.397 0 40 HGAB Cc1cc(O)c2c(C)c(CC(=O)NC3CCN(Cc4ccccc4)CC3)c(=O)oc2c1 20566995 XZNJGTPFKKFCOA-UHFFFAOYSA-N 420.509 3.439 0 40 HGAB CCOC(=O)[C@@](NCCc1ccccc1F)(NC(=O)c1ccccc1)C(F)(F)F 20841409 VSYIDALSSUVAOP-LJQANCHMSA-N 412.383 3.210 0 40 HGAB O=C(C1CCCCC1)N1CCN(c2cc(=O)n3nc(-c4ccccc4)sc3n2)CC1 21884356 UZFJALGEVSBMNE-UHFFFAOYSA-N 423.542 3.047 0 40 HGAB CCOc1ccc(NC(=O)c2cc(OC)c(OC)cc2N(C)S(=O)(=O)CC)cc1 22252780 OPTNERMWOUHMBJ-UHFFFAOYSA-N 422.503 3.141 0 40 HGAB CC[C@@H](NC(=O)CN(c1cccc(OC)c1)S(C)(=O)=O)c1ccc(C)c(C)c1 22332422 JPEULXDAOKNSPC-HXUWFJFHSA-N 404.532 3.346 0 40 HGAB COc1ccc(-c2noc(CCC(=O)NC[C@H](c3ccc(OC)cc3)N(C)C)n2)cc1 22621367 OWIYHRIVXBDEHF-HXUWFJFHSA-N 424.501 3.106 0 40 HGAB Cc1sc2nc(CN3CCOCC3)nc(Nc3ccc4[nH]c(=O)[nH]c4c3)c2c1C 23955556 OBQGTRKEQNQFRR-UHFFFAOYSA-N 410.503 3.054 0 40 HGAB Cc1cccc(-c2nnc([C@H](C)N3CCN(CC(=O)Nc4ccccc4)CC3)o2)c1 24249078 FFWLSPITVOYHNG-SFHVURJKSA-N 405.502 3.362 0 40 HGAB COc1ccc(Br)cc1CN(C)C(=O)c1ccc(-n2ccnc2)nc1 25248276 KYVICGKHRYQRKO-UHFFFAOYSA-N 401.264 3.311 0 40 HGAB COc1cccc(C(=O)Nc2nnc(S(=O)(=O)Cc3cccc(C)c3)s2)c1 27663945 YGHOJSCBKIBYQW-UHFFFAOYSA-N 403.485 3.081 0 40 HGAB O=C(COc1cccc(C(F)(F)F)c1)NCc1ccc(CN2CCOCC2)cc1 29882048 YBVGTCATXIXUTC-UHFFFAOYSA-N 408.420 3.233 0 40 HGAB CCOC(=O)c1ccsc1NC(=O)CN(CC)C[C@@H]1COc2ccccc2O1 31174536 HFASGUQOQLVSLS-CQSZACIVSA-N 404.488 3.025 0 40 HGAB COC(=O)C[C@H](NC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1)c1cccs1 32453824 LIABQPCUCDXXBV-DOMZBBRYSA-N 406.891 3.175 0 40 HGAB O=C(OCc1nc(-c2ccc(F)cc2)no1)[C@@H]1CCCN1C(=O)NC1CCCCC1 32937235 DSXHNGBNPNDDRH-KRWDZBQOSA-N 416.453 3.426 0 40 HGAB O=C(COC(=O)c1ccc2c(c1)C(=O)N(c1ccc(F)cc1)C2=O)NC1CCCCC1 33743918 XWXLRBBCGVTKSL-UHFFFAOYSA-N 424.428 3.232 0 40 HGAB COc1cc(OC)cc(C(=O)N[C@@H](C(=O)N2CCC[C@@H](C(F)(F)F)C2)C(C)C)c1 36694498 NVXRGOPLBCIBCY-RHSMWYFYSA-N 416.440 3.259 0 40 HGAB CCC(=O)N1CCCc2cc([C@@H](O)CN3CCN(c4ccccc4F)CC3)ccc21 36741245 WPKAAKNLBBEBHW-QHCPKHFHSA-N 411.521 3.371 0 40 HGAB Cc1ccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)CCCc3ccccc3)C2)cc1 38753231 LWVOPUKBXRDXHH-QFIPXVFZSA-N 414.571 3.286 0 40 HGAB COc1ccc2c(c1OC)[C@H](CC(C)=O)N1CCc3cc4c(cc3[C@H]1C2=O)OCO4 39546139 WCUHXCUQWAQCHR-KKSFZXQISA-N 409.438 3.248 0 40 HGAB C[C@H](NC(=O)Nc1ccc(OC(F)(F)F)cc1)c1ccc(S(N)(=O)=O)cc1 40097103 FYCRQTMTBOPVAW-JTQLQIEISA-N 403.382 3.115 0 40 HGAB C[C@H](Oc1ccc(C(=O)NC2CCN(c3ncccn3)CC2)cn1)c1ccccc1 40134379 XUAJLOVBGZBKDE-KRWDZBQOSA-N 403.486 3.410 0 40 HGAB COC(=O)CNC(=O)Cc1ccc(NC(=O)N[C@@H](C)c2cc3ccccc3o2)cc1 48158547 VQZOQTGKGUQEHD-AWEZNQCLSA-N 409.442 3.147 0 40 HGAB O=C(NCc1cc(F)cc(F)c1)c1nnn(Cc2cccc(F)c2)c1-n1cccc1 49002921 YCOHHOUQGJOVQA-UHFFFAOYSA-N 411.387 3.464 0 40 HGAB COC(=O)Cn1c2c(sc1=O)[C@@H](c1ccc(OC)cc1)CC(=O)N2c1ccccc1 49546149 UNOIOROYMBUCPK-QGZVFWFLSA-N 424.478 3.292 0 40 HGAB Cc1nccn1-c1cc(CNC(=O)c2ccc(CN3C[C@@H](C)O[C@H](C)C3)cc2)ccn1 53397893 AMKSWGYLQAAAKA-QZTJIDSGSA-N 419.529 3.115 0 40 HGAB COc1ccc(-c2noc(-c3cccn3CC(=O)Nc3nccs3)n2)cc1OC 57487226 ZLDZDGXHFATXGX-UHFFFAOYSA-N 411.443 3.318 0 40 HGAB CCCCN(CC(=O)Nc1c(F)cccc1F)Cc1nc2ccccc2c(=O)[nH]1 58146598 XGIWWZQIIXXMGH-UHFFFAOYSA-N 400.429 3.442 0 40 HGAB CCN(CC)CCOc1ccccc1CNS(=O)(=O)c1ccc2c(c1)CCC2 58931744 GDCAWKHPINNOTB-UHFFFAOYSA-N 402.560 3.374 0 40 HGAB Cc1ccc(Cl)cc1NC(=O)Cn1c(-c2ccccc2)nc(C)c(CCO)c1=O 67300233 LURAYHYHLVTMBN-UHFFFAOYSA-N 411.889 3.354 0 40 HGAB COc1cc(C)c2[nH]c3c(c(=O)c2c1)CN(CC(=O)Nc1ccc(C)c(F)c1)CC3 67349921 XRQJVXJKVRMMPZ-UHFFFAOYSA-N 409.461 3.289 0 40 HGAB COc1ccc2c(C)c(CC(=O)NCCn3ccc4ccccc43)c(=O)oc2c1OC 70666197 PBOYEERBXONTNE-UHFFFAOYSA-N 420.465 3.432 0 40 HGAB biogenic CON(C)S(=O)(=O)c1cc(NC(=O)CCc2cc(F)ccc2F)ccc1Cl 72305116 QMOBLDFMTJOCTL-UHFFFAOYSA-N 418.849 3.371 0 40 HGAB CN(C)[C@@H](CNC(=O)c1cc(=O)c(OCc2ccccc2)co1)Cc1ccccc1 72314351 XHOMMKAEDWKHOT-HXUWFJFHSA-N 406.482 3.122 0 40 HGAB Cc1cccc(Cc2cc(C)nc([C@H]3CCCN(C(=O)c4ccc(=O)n(C)n4)C3)c2)c1 72354127 PZBPNFDXIYCPTM-NRFANRHFSA-N 416.525 3.403 0 40 HGAB Cc1cnc(C(=O)N2CC[C@H](c3cc(CCOc4cccc(Cl)c4)[nH]n3)C2)cn1 72371415 KVPCBHVDNRYJNB-HNNXBMFYSA-N 411.893 3.413 0 40 HGAB COCCN1CCCC[C@H]1c1nc(N(C)C)ncc1-c1c(OC)cccc1OC 72376817 ANHPSJZZHLKHRT-KRWDZBQOSA-N 400.523 3.400 0 40 HGAB Cc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)NC[C@@H](C)C[C@@H](C)O)c2)c1 78869584 MADAOQCEZKWKJE-DOTOQJQBSA-N 404.532 3.241 0 40 HGAB CC(=O)c1cc(NC(=O)CCc2nc3ncc(Br)cc3[nH]2)ccc1O 79495726 NQPIIJYMMWPXKI-UHFFFAOYSA-N 403.236 3.200 0 40 HGAB COc1ccc(-c2coc3c4c(cc(O)c3c2=O)OC(=O)C[C@@H]4c2cnn(C)c2)cc1 85876881 RUHBQTLPTOFIMF-OAHLLOKOSA-N 418.405 3.349 0 40 HGAB biogenic Cc1csc(-c2cccc(CNC(=O)[C@H](C)n3nnc4ccccc4c3=O)c2)n1 95475712 ZJQGPFOYFCACEM-AWEZNQCLSA-N 405.483 3.101 0 40 HGAB COc1ccccc1CN1CN(c2ccccc2OC)c2nc(C)c(C)c(=O)n2C1 95481445 MGMNBEDQUUPGKL-UHFFFAOYSA-N 406.486 3.446 0 40 HGAB CC(C)NC(=O)c1ccc2c(c1)[C@@H](c1ncn(C(C)C)n1)CN2C(=O)c1ccccn1 96156384 PAASAULNVJEAHB-SFHVURJKSA-N 418.501 3.185 0 40 HGAB CN1C(=O)CC[C@@H](C(=O)N2CCN(Cc3ccccc3)CC2)[C@@H]1c1ccc(F)cc1 96182566 JVEWLUBLUCCFAF-GGAORHGYSA-N 409.505 3.080 0 40 HGAB COc1cc([C@H]2SCC(=O)Nc3c2c(O)nn3[C@@H]2CCOC(C)(C)C2)ccc1O 96232774 UESWMFBPWASBHR-SJKOYZFVSA-N 419.503 3.208 0 40 HGAB COc1ccc(C2=C[C@@H](c3cc(OC)c(OC)c(OC)c3)n3ncnc3N2)cc1OC 100834917 PPTMDIZKJZBSGT-INIZCTEOSA-N 424.457 3.377 0 40 HGAB CCc1ccc(NC(=O)CN2N=N[C@@H]3C(=O)N(c4ccc(C(C)C)cc4)C(=O)[C@@H]32)cc1 101168470 SPUZIUGGDXHMRU-LEWJYISDSA-N 419.485 3.304 0 40 HGAB CCOc1ccccc1NC(=O)[C@H](CC)N(c1ccc(OC)cc1)S(C)(=O)=O 220638161 SQEIGPNRLYJZLO-SFHVURJKSA-N 406.504 3.277 0 40 HGAB COC(=O)c1ccc(OC)c(NS(=O)(=O)c2ccc3c(c2)CCC(C)(C)O3)c1 223668848 SGFOKDLNQZEBME-UHFFFAOYSA-N 405.472 3.386 0 40 HGAB CN(C(=O)c1cccc(S(=O)(=O)N(C)c2ccc(F)cc2)c1)[C@@H]1CCCC[C@H]1O 224177819 QEIYCQVFBZPYPB-WOJBJXKFSA-N 420.506 3.026 0 40 HGAB CCc1cccc(C)c1NC(=O)CCc1cc(S(=O)(=O)N(C)C)ccc1OC 224491392 MXTGOHMOCMJSDX-UHFFFAOYSA-N 404.532 3.388 0 40 HGAB CSc1ccccc1N(CCCC(=O)NCCOc1ccccc1)S(C)(=O)=O 224879059 XTDHOISRBQRXQU-UHFFFAOYSA-N 422.572 3.150 0 40 HGAB COc1ccccc1OCC(=O)N(Cc1ccccc1F)[C@H](C)C(=O)NCC(C)C 225676869 CZGFOSDUMWQRDV-QGZVFWFLSA-N 416.493 3.403 0 40 HGAB CSc1ccc(S(=O)(=O)N[C@H](C)COc2ccccc2C)cc1NC(C)=O 225837288 CXFNPMUQVVOKHK-CQSZACIVSA-N 408.545 3.421 0 40 HGAB COc1cccc(C(=O)N(C)[C@@H]2CC[C@@](CNC(C)=O)(c3ccccc3)CC[C@H]2O)c1 257204969 AXBOZGZTZARWPB-VDKIKQQVSA-N 424.541 3.145 0 40 HGAB COc1ccc2c(c1)OC(C)(C)[C@@H]1C[C@H]3CN(C(=O)CCCC(=O)O)CC[C@H]3O[C@@H]21 257225734 FHNSPLRMQKEQIK-XCLQVSSVSA-N 417.502 3.416 0 40 HGAB COc1c(C)cccc1C(=O)N1CCC(c2cncc(Nc3ncccn3)n2)CC1 257296875 RETHNWRFWRFYEL-UHFFFAOYSA-N 404.474 3.347 0 40 HGAB COc1ccc(CN2CCNC(=O)[C@H]2Cc2ccc(-c3cccnc3)cc2)c(OC)c1 257307124 SXHXMFCYRYTVQX-HSZRJFAPSA-N 417.509 3.309 0 40 HGAB COc1ccc(C)cc1S(=O)(=O)N1CCC[C@H](C(=O)N(C)c2ccccc2)C1 260734436 IFBQGFKKWTZXSI-KRWDZBQOSA-N 402.516 3.067 0 40 HGAB Cc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccccc3C)C2)cc1Cl 409137346 VYCBNOXJGSXEMQ-OAHLLOKOSA-N 400.862 3.492 0 40 HGAB O=C(CN1C(=O)S/C(=C/c2ccc(O)cc2)C1=O)Nc1ccc(F)c(F)c1F 409354200 ZZVOSVSTKNALJY-NTUHNPAUSA-N 408.357 3.485 0 40 HGAB O=C(CN1C(=O)CC[C@@]12CCCN(Cc1ccc3c(c1)CCC3)CC2)N1CCCC1 585100762 VSNGHWDNTFUBME-RUZDIDTESA-N 409.574 3.145 0 40 HGAB CN1CCN(CC(=O)N2CC3(CCOCC3)c3cc(-c4ccc(F)cc4)ccc32)CC1 585105673 BDRDSDCVYLSJES-UHFFFAOYSA-N 423.532 3.135 0 40 HGAB C[C@H]1C[C@H](NC(=O)c2cccc(Nc3ncccn3)c2)c2ccsc2S1(=O)=O 643037530 AZEPJEZRPFIGFP-LRDDRELGSA-N 414.512 3.319 0 40 HGAB Nc1cc(C(=O)N2CCC3(CCCCc4ccccc4OCCOC3=O)CC2)ccn1 643573979 VFNJFVKSDXBEHI-UHFFFAOYSA-N 423.513 3.235 0 40 HGAB O=C(CCc1ccccc1)N[C@H]1CCC12CCN(C(=O)c1ncc(Cl)cn1)CC2 1565555809 PTRWHEQJPNZXSC-SFHVURJKSA-N 412.921 3.264 0 40 HGAB Cc1cc(N2CCC[C@H](COc3ncc(Br)cn3)C2)n2nc(C)cc2n1 1775970477 OAWIZWYYEUOTSG-AWEZNQCLSA-N 417.311 3.194 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(Cl)cc3)CC2)cc1 783982 VROCBBMSEIZBOU-UHFFFAOYSA-N 408.907 3.388 0 40 HGAB CCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccc(C(=O)O)cc3)cc12 816420 CPVXADQCQFVSSO-UHFFFAOYSA-N 403.412 3.417 0 40 HGAB CC(C)c1ccc(N(CC(=O)NC[C@@H]2CCCO2)S(=O)(=O)c2ccccc2)cc1 886351 ZIWJGNFNRLLUOD-FQEVSTJZSA-N 416.543 3.301 0 40 HGAB COc1cc(C(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C)C3)cc(OC)c1OC 934521 WNWCDPYNSYQWRQ-SNVBAGLBSA-N 404.488 3.250 0 40 HGAB O=C(O)[C@H](Cc1c[nH]cn1)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O 938083 MVBAHBIPDDTVQY-YFKPBYRVSA-N 423.039 3.315 0 40 HGAB CCOc1cccc([C@H]2NC(=O)N[C@@](O)(C(F)(F)F)[C@@H]2C(=O)c2cccs2)c1 1052633 KDDJLVLQCHVUNJ-VBQJREDUSA-N 414.405 3.251 0 40 HGAB CCCn1c(SCC(=O)Nc2ccc(OC)cc2OC)nnc1-c1ccccn1 1362668 NOPFNSBPQQMARP-UHFFFAOYSA-N 413.503 3.498 0 40 HGAB C[C@@H]1C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@]3(F)[C@@H](O)C[C@]2(C)[C@]1(O)C(=O)CCl 2014264 FCSHDIVRCWTZOX-VNNZXCRJSA-N 410.913 3.142 0 40 HGAB biogenic O=C(NC(=S)N1C[C@H]2C[C@H](C1)c1cccc(=O)n1C2)c1ccc(Cl)cc1Cl 2145454 VARQQTKKMLANOU-VXGBXAGGSA-N 422.337 3.289 0 40 HGAB CCOC(=O)C1=C(C)N(C)[C@@]2(SC(C(=O)OC)=NN2c2ccc(C)cc2)S1 2170687 JDLSBTVMQFSZME-SFHVURJKSA-N 407.517 3.119 0 40 HGAB Cc1ccc(S(=O)(=O)N(C[C@@H](O)CN(C)C)c2cc(Cl)ccc2Cl)cc1 2202327 QSWBEPXPPKTGDS-HNNXBMFYSA-N 417.358 3.420 0 40 HGAB O=c1/c(=C\c2ccc(Br)cc2)sc2nc(-c3ccc(F)cc3)nn12 2388262 JWTCPJAFVCKSSR-NTEUORMPSA-N 402.248 3.267 0 40 HGAB Cc1cc(NC(=O)COC(=O)/C=C/c2c(C)nn(Cc3ccccc3)c2Cl)no1 2617169 KYEIYEOSEBRMIS-CMDGGOBGSA-N 414.849 3.385 0 40 HGAB Nn1cc(-c2ccccc2)nc1SCC(=O)Nc1ccc2c(c1)OC(F)(F)O2 2636970 FBSLTUQNUNZPTR-UHFFFAOYSA-N 404.398 3.316 0 40 HGAB O=C(N[C@H]1CCCc2ccccc21)C1CCN(S(=O)(=O)c2ccccc2F)CC1 3324597 TYBDRNAYLXTZMN-FQEVSTJZSA-N 416.518 3.420 0 40 HGAB aggregator O=C(/C=C/c1ccc(S(=O)(=O)NCc2ccco2)cc1)N1CCc2ccccc2C1 3437988 XVBZNHURFYKPCR-FMIVXFBMSA-N 422.506 3.356 0 40 HGAB CC(C)(C)C(=O)COC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl 3481670 YAHGMCUSLXHTPS-UHFFFAOYSA-N 401.912 3.287 0 40 HGAB COC(=O)c1ccc(C(=O)Nc2sc3c(c2C(=O)OC)CCN(C(C)C)C3)cc1 4086933 CYEHUMQSFOSSHA-UHFFFAOYSA-N 416.499 3.340 0 40 HGAB COc1cccc(C(=O)COc2ccccc2N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@@H]3C2=O)c1 4545032 WHSYYPCLFDCIJH-KFVVBQDRSA-N 405.450 3.492 0 40 HGAB CCS(=O)(=O)c1ccccc1C(=O)Nc1nc2c(OC)ccc(OC)c2s1 4585762 NVUFFDLDMXMXJU-UHFFFAOYSA-N 406.485 3.359 0 40 HGAB COc1ccc(CC(=O)NCCCCCCNC(=O)Cc2ccc(OC)cc2)cc1 4666140 GIDYEHNCZWYKBL-UHFFFAOYSA-N 412.530 3.282 0 40 HGAB O=C(CN1CCC(c2nc3ccccc3[nH]2)CC1)Nc1ccccc1N1CCOCC1 4858895 ICZICZNMOBHENH-UHFFFAOYSA-N 419.529 3.218 0 40 HGAB O=C(Cn1c(SCC(=O)N2CCCC2)nc2ccccc21)NC1CCCCC1 4859119 CQNFBDAWTYPUQL-UHFFFAOYSA-N 400.548 3.200 0 40 HGAB COc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCCN3C(=O)C2CC2)cc1F 5099555 PBXBHCHYDXRLED-UHFFFAOYSA-N 404.463 3.324 0 40 HGAB CCn1c(=O)c2c(nc3n(-c4ccc(C)cc4C)c(-c4ccccc4)cn23)n(C)c1=O 5251824 JOCZUBMDCWXACT-UHFFFAOYSA-N 413.481 3.442 0 40 HGAB CCc1cccc(CC)c1NC(=O)COC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 5549361 PODBSXJNSVWTJW-HXUWFJFHSA-N 408.498 3.342 0 40 HGAB CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCCC(C)C)cc2)cc1 6207643 IQCJEQBESLTDFH-UHFFFAOYSA-N 420.531 3.427 0 40 HGAB O=C(NC12CC3CC(CC(C3)C1)C2)[C@H]1CCCCN1S(=O)(=O)c1ccccc1 7157920 HZCPSYXSEWRRMY-MYZSEDEFSA-N 402.560 3.315 0 40 HGAB C[C@@H](OC(=O)c1cc(C2CC2)nn1-c1ccccc1)C(=O)NC(=O)NC1CCCC1 7877458 RTJXJNJNJNBVDP-CQSZACIVSA-N 410.474 3.063 0 40 HGAB O=C(CN1c2cccc3cccc(c23)S1(=O)=O)NCCOc1ccc(Cl)cc1 8405332 FNKZZZGGVDCGQR-UHFFFAOYSA-N 416.886 3.197 0 40 HGAB O=C1NC2(CCCC2)C(=O)N1CC(=O)N1c2ccccc2OC[C@H]1c1ccccc1 8540935 GSSUEFDKCIOZSL-SFHVURJKSA-N 405.454 3.018 0 40 HGAB O=C(Nc1ccc(F)cc1)[C@H](Sc1nnnn1C[C@@H]1CCCO1)c1ccccc1 9255355 BWLWZISEVCNXRH-ZWKOTPCHSA-N 413.478 3.463 0 40 HGAB CN1CCc2c(sc3c2C(=O)N[C@H](c2cc4c(cc2Br)OCO4)N3)C1 9270347 DZDSTWKDEIBPOD-HNNXBMFYSA-N 422.304 3.081 0 40 HGAB O=C(Nc1nc(CC(=O)N2CCc3ccccc32)cs1)c1ccc2c(c1)OCO2 9659270 DPWUGZPBLSJOCN-UHFFFAOYSA-N 407.451 3.256 0 40 HGAB O=C(NCCOc1ccc(-c2ccc(F)cc2)nn1)c1cc2ccccc2oc1=O 10509507 NARSCEUKVIZIIW-UHFFFAOYSA-N 405.385 3.198 0 40 HGAB C[C@H](OC(=O)c1cc(S(C)(=O)=O)ccc1Cl)C(=O)N1c2ccccc2C[C@@H]1C 11311736 ZYCDWMLYXLUUBK-STQMWFEESA-N 421.902 3.267 0 40 HGAB C[C@H](OC(=O)c1ccccc1I)c1nc2ccccc2c(=O)[nH]1 11439786 ZZASQEMCWZJCOP-JTQLQIEISA-N 420.206 3.446 0 40 HGAB CCn1c2cc(C)sc2c2cnn(CC(=O)NCc3cccc(OC)c3)c(=O)c21 12142707 SFEHYZNGFXZYGV-UHFFFAOYSA-N 410.499 3.066 0 40 HGAB COc1ccc2c(c1)OC1(CCN(C(=O)[C@H](C)c3ccc(C)cc3)CC1)CNC2=O 12226000 GKBAWWUNYKJMRN-QGZVFWFLSA-N 408.498 3.291 0 40 HGAB CC(C)(C)c1ccc(C(=O)N[C@]2(C(F)(F)F)NC(=O)N(C3CCCC3)C2=O)cc1 12401059 ICUCIELICHLVMF-IBGZPJMESA-N 411.424 3.467 0 40 HGAB O=C(Nc1ccccc1S(=O)(=O)Nc1ccccc1)[C@H]1CC=CC[C@H]1C(=O)O 12548389 YCUKIVQMRMHCPU-JKSUJKDBSA-N 400.456 3.093 0 40 HGAB CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2CCCC[C@H]2C(F)(F)F)c1 12765519 AKHYVLFCMAJLIW-TZMCWYRMSA-N 412.861 3.441 0 40 HGAB COc1ccc(CCNC(=O)c2cc(-c3cc(Cl)ccc3O)n[nH]2)cc1OC 13121836 YFIPSZSALBVUHR-UHFFFAOYSA-N 401.850 3.425 0 40 HGAB CCOC(=O)c1cccc(NC(=O)[C@H](C)N(c2cc(C)ccc2C)S(C)(=O)=O)c1 13647285 LGYPSTBMVLPBKP-INIZCTEOSA-N 418.515 3.273 0 40 HGAB CCCCCn1c(O)c(C2=NS(=O)(=O)c3ccccc3N2)c(=O)c2ccccc21 13680358 GZHOJSZWATWYQV-UHFFFAOYSA-N 411.483 3.458 0 40 HGAB C[C@H]1CCc2[nH]c3ccc(C(=O)OCC(=O)NC(=O)NCc4ccccc4)cc3c2C1 14020338 QFIBRLATDUHEDB-HNNXBMFYSA-N 419.481 3.476 0 40 HGAB CCOc1cc(C(=O)NC(=S)Nc2nnc(CC)s2)cc(OCC)c1OCC 16162600 GATOMLQZDRJLDQ-UHFFFAOYSA-N 424.548 3.423 0 40 HGAB CN(C)[C@@H](CNC(=O)CCn1cnc2sc3c(c2c1=O)CCCC3)c1ccccc1 16229425 RWJILXURNBFVJT-SFHVURJKSA-N 424.570 3.146 0 40 HGAB CC(C)CNC(=O)c1c(O)[nH]c2c(Br)cc(Br)cc2c1=O 16995844 DQAGFLCABRNTEK-UHFFFAOYSA-N 418.085 3.145 0 40 HGAB COc1ccc([C@H](CNC(=O)CNC(=O)c2cccc(Cl)c2)N2CCCC2)cc1 17911791 YVYDHSGVSFRUET-FQEVSTJZSA-N 415.921 3.032 0 40 HGAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)COC(=O)c1cc(Cl)cc(Cl)c1N 18768311 MFMPKLNQFHUVLL-JTQLQIEISA-N 422.268 3.496 0 40 HGAB O=C1C[C@@H](N2CCN(c3ccc(Cl)cc3)CC2)C(=O)N1c1ccc(Cl)cc1 19229344 GMYQLGVNKMMQGG-GOSISDBHSA-N 404.297 3.448 0 40 HGAB COc1ccc(-n2ncc(C(=O)C3CCN(C(=O)c4cccc(F)c4)CC3)c2N)cc1 19558847 NEAAWBKDGUAXNO-UHFFFAOYSA-N 422.460 3.337 0 40 HGAB Cc1noc(C)c1CCC(=O)N1CCC(c2nc(-c3ccsc3)cc(=O)[nH]2)CC1 19580619 ZXZCBMSFQWHICC-UHFFFAOYSA-N 412.515 3.442 0 40 HGAB O=C(NCc1ccccc1)[C@@]1(Cc2ccccn2)CN(Cc2ccccc2F)CCO1 19700903 MEHYRJMTGLOPBA-RUZDIDTESA-N 419.500 3.351 0 40 HGAB COC(C)(C)C(=O)N1CCC(Cc2nn(C)cc2C(=O)Nc2ccc(F)cc2)CC1 19756339 TUWIHUFCFGSHHG-UHFFFAOYSA-N 416.497 3.018 0 40 HGAB O=C(NC1CC1)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(Br)cc1 20889302 RDGBAUUXJLSAHL-UHFFFAOYSA-N 421.316 3.093 0 40 HGAB COc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2cc(C)cc(C)c2)c1 22229748 MSICEQXYKRCNPI-IBGZPJMESA-N 402.516 3.412 0 40 HGAB CCC[C@@H](C)NC(=O)COc1ccc(N(Cc2ccc(F)cc2)S(C)(=O)=O)cc1 22232784 AXHUQVMLUYVNBW-MRXNPFEDSA-N 422.522 3.476 0 40 HGAB CC(=O)c1ccc(S(=O)(=O)NCCC(=O)N(C)[C@H](C)c2ccc(F)c(F)c2)cc1 22417488 JQBIEIGQWQKSFY-CYBMUJFWSA-N 424.469 3.055 0 40 HGAB CCOc1ccc([C@@H](C)NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)cc1 22513869 ACSFVGYWLJPZQK-NVXWUHKLSA-N 422.572 3.425 0 40 HGAB O=C(NCCCN1CCOCC1)c1cc(-c2cccs2)n(-c2ccc(F)cc2)n1 22688408 LJIOTFAHPBAJIX-UHFFFAOYSA-N 414.506 3.192 0 40 HGAB Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)N[C@H](C)c2ccccc2)CC1 24611049 VBTOTVGVOKGWNE-GOSISDBHSA-N 400.544 3.414 0 40 HGAB Cn1ccnc1C(=O)c1ccc(NC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)cc1 25060131 RXZFXDDTXOCJGW-FQEVSTJZSA-N 405.454 3.461 0 40 HGAB CC(C)CCn1c(S[C@H](C)C(=O)N(C)[C@H]2CCS(=O)(=O)C2)nc2ccccc21 25760133 ALWRDDDTECEJFA-CVEARBPZSA-N 423.604 3.209 0 40 HGAB CN(Cc1c(F)cccc1Cl)C(=O)Cn1c(CS(C)(=O)=O)nc2ccccc21 27089990 DLOAWXUNYQCDAS-UHFFFAOYSA-N 423.897 3.032 0 40 HGAB Cc1cccc(OCC(=O)NC[C@@H](c2ccc(Cl)cc2)N2CCN(C)CC2)c1 28287969 MEZSLOYFRVJPKJ-NRFANRHFSA-N 401.938 3.132 0 40 HGAB COCc1c(C(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)oc2ccccc12 30064173 RCFUYRCRLCUINX-UHFFFAOYSA-N 414.483 3.032 0 40 HGAB Cc1cc(S(=O)(=O)N(C)C)cc(NC(=O)Cc2c(C)nn(CC(C)C)c2C)c1C 31953904 TZJHOKKVVYPMKE-UHFFFAOYSA-N 420.579 3.204 0 40 HGAB COC(=O)c1sccc1NC(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1 32411202 JCVYBQBKKDQRDP-SNVBAGLBSA-N 423.288 3.289 0 40 HGAB CCC[C@H](c1nnnn1CCOC)N1CCN(c2cccc(C(F)(F)F)c2)CC1 35290733 YGAKMUNXIZNJOQ-QGZVFWFLSA-N 412.460 3.002 0 40 HGAB O=C(OCCCc1cccnc1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl 36395639 UBFZBDOHPBIHMB-UHFFFAOYSA-N 408.907 3.309 0 40 HGAB C[C@]1(c2ccc3ccccc3c2)NC(=O)N(CN2CCN(c3ccccc3)CC2)C1=O 39546161 IUZDFTXYQFTBAR-RUZDIDTESA-N 414.509 3.387 0 40 HGAB CCCCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(F)c(Cl)c2)c1=O 40478521 CDVXOXKPEJZHTL-UHFFFAOYSA-N 403.841 3.395 0 40 HGAB O=C(NCCNc1ncccn1)c1cc(C2CC2)nc2onc(-c3ccccc3)c12 47106427 KHNVOXDCQLWNHA-UHFFFAOYSA-N 400.442 3.399 0 40 HGAB Cc1ccc(-c2nc(C)c(C(=O)NCc3ccnc(N4CCN(C)CC4)c3)s2)o1 47672189 LFEAYZGIDUSKJC-UHFFFAOYSA-N 411.531 3.097 0 40 HGAB Cn1cc(-c2ccc(F)cc2)c2ncn(CC(=O)Nc3cc(F)cc(F)c3)c(=O)c21 49401400 CCMVQDWFWWDKRH-UHFFFAOYSA-N 412.371 3.458 0 40 HGAB COC(=O)COc1ccc(S(=O)(=O)NCc2ccc(Cl)cc2Cl)cc1 55948721 SGMGJNXLEPUROV-UHFFFAOYSA-N 404.271 3.024 0 40 HGAB CCOC(=O)C1=C(CN(C)[C@@H]2CCCc3ccccc32)NC(=O)N[C@H]1c1ccco1 57704376 JVIBEVQYMAWWOF-NQIIRXRSSA-N 409.486 3.460 0 40 HGAB O=C(NC1CC1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1cc(Cl)ccc1Cl 58141655 YQJHUTBJCRTWCB-MRXNPFEDSA-N 413.326 3.162 0 40 HGAB Cc1ccc(NC(=O)c2nnn(CC(=O)Nc3ccc(F)cc3F)c2C)cc1F 71327126 ZBGUDTYXFXQZME-UHFFFAOYSA-N 403.364 3.203 0 40 HGAB CCc1noc(-c2ccnc(-n3cnc(C(=O)NCCCc4ccccc4)c3)c2)n1 71768541 ZDLLNUXQSFAUCM-UHFFFAOYSA-N 402.458 3.242 0 40 HGAB O=C1CN(c2ccc(NC(=O)[C@@H]3C[C@@H]3c3cccc(Cl)c3Cl)cn2)CCN1 78876070 SOJTYIKDTJQJEQ-ZIAGYGMSSA-N 405.285 3.067 0 40 HGAB O=C1CN(c2ccc(NC(=O)c3cc(F)c(F)c(F)c3F)cc2Cl)CCN1 84350583 WHZPOVWMPUAJDN-UHFFFAOYSA-N 401.747 3.085 0 40 HGAB CCC(CC)[C@H](CCNC(=O)c1ccc(S(=O)(=O)Nc2ccncc2)cc1)OC 84727349 KMOYUNQPZJPPAJ-FQEVSTJZSA-N 419.547 3.454 0 40 HGAB O=C(NCc1ccc([C@@H](O)c2cccs2)s1)C(=O)NCc1ccccc1Cl 90613761 GBSOYYSVVDNRFV-KRWDZBQOSA-N 420.943 3.477 0 40 HGAB O=C(CSCc1cccnc1)Nc1cccc(C(=O)N2CCCC[C@H]2C(=O)O)c1 95425443 JLYDHNKPUQENRN-SFHVURJKSA-N 413.499 3.033 0 40 HGAB COc1ccccc1CC(=O)N1CC[C@@H](N(C(=O)Cc2ccccc2OC)C2CC2)C1 95431182 CXWHZDUKGIKWQX-OAQYLSRUSA-N 422.525 3.081 0 40 HGAB CC(C)C[C@H](NC(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)c1nc2ccccc2[nH]1 95959427 VXMNMIAXHCJYFC-BXWFABGCSA-N 410.518 3.332 0 40 HGAB CN1CCN(C(=O)C[C@@H]2CC3(CCN(Cc4cccnc4)CC3)c3ccccc32)CC1 96052943 RJDOUYJJISJQQG-JOCHJYFZSA-N 418.585 3.267 0 40 HGAB O=S(=O)(NC[C@H]1Cn2c(-c3ccc(Cl)cc3)cnc2CO1)c1ccc(F)cc1 96296326 GNIAPZGMSZEYRC-INIZCTEOSA-N 421.881 3.220 0 40 HGAB biogenic,in-vitro COc1ccccc1[C@H](CNS(=O)(=O)c1ccc(Br)s1)OC 96385040 BNMGWJFIADZHHC-LBPRGKRZSA-N 406.323 3.185 0 40 HGAB CCCCNC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OCC)cc1 113937478 NXUDWDDEHLRYOC-UHFFFAOYSA-N 408.495 3.336 0 40 HGAB COC(=O)[C@@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)c1cnn(-c2ccccc2)c1C 206802714 QWBUHBLHVBJVEU-XLIONFOSSA-N 423.444 3.155 0 40 HGAB O=C1[C@@H]2CC=CC[C@H]2C(=O)N1C1CN(C(=O)C2(c3ccc(Cl)cc3)CCCC2)C1 217725563 GDDSBNUHFMZUCM-RTBURBONSA-N 412.917 3.314 0 40 HGAB CC[C@@H](NC(=O)[C@@H]1CN(S(=O)(=O)CC)c2ccccc2O1)c1ccc(C)cc1C 218794709 XGCMXWDJZROYHI-NQIIRXRSSA-N 416.543 3.488 0 40 HGAB COC(=O)c1cn(C(=O)[C@@H](C)N(c2cccc(C)c2)S(C)(=O)=O)c2ccccc12 222631149 PZKGNOXGSIRLMT-OAHLLOKOSA-N 414.483 3.231 0 40 HGAB CCN(Cc1ccccc1)S(=O)(=O)c1ccc(OC)c(C(=O)N2CCCC2)c1 223849160 TWFWBYXAFGVWNZ-UHFFFAOYSA-N 402.516 3.142 0 40 HGAB Cc1ccc(C)c(OCCNC(=O)c2ccc(CS(=O)(=O)N3CCCC3)cc2)c1 224031923 RXTJRAVZLRWSEG-UHFFFAOYSA-N 416.543 3.038 0 40 HGAB CCOC(=O)[C@]1(CN)[C@@H](c2ccc(Cl)cc2)[C@H]1S(=O)(=O)c1ccc(C)cc1 252516467 SRMQAWYJNWDINO-NLWGTHIKSA-N 407.919 3.096 0 40 HGAB COc1ccc(CN2C[C@@H]3CN(C(=O)CCc4ccccc4)CCN3C(C)(C)C2)cc1 253394183 ASAAVQAKEYWUGZ-HSZRJFAPSA-N 421.585 3.435 0 40 HGAB biogenic,in-vitro COc1ccc(C2(C(=O)N3CCC[C@@](C(N)=O)(c4ccccn4)C3)CCCCC2)cc1 257223386 DXCPRASBAGHGPV-VWLOTQADSA-N 421.541 3.338 0 40 HGAB COc1ncccc1CN1CCN(C)[C@H](c2nnn3cc(-c4ccccc4)ccc23)C1 306135091 OHOBBIBDYNEWCA-QFIPXVFZSA-N 414.513 3.289 0 40 HGAB CC(C)NC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)N[C@@H](C)CCc2ccccc2)cc1 408595852 VJZMIPJCLVRGKH-ZWKOTPCHSA-N 418.559 3.278 0 40 HGAB COC[C@@H](C)NC(=O)c1ccc(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1 408622189 UWSVVMGIIBCPLH-CQSZACIVSA-N 410.923 3.071 0 40 HGAB CCOc1cc(/C=C2\SC(=O)N(CC(=O)N(CC)CC)C2=O)c(C)cc1OC 409201010 LESZQLUDLVEOAX-BOPFTXTBSA-N 406.504 3.307 0 40 HGAB CSCC[C@@H](C(=O)Nc1ccc(Cl)nc1)n1c(O)nc2ccccc2c1=O 524732267 ATWSHRDRHUCANJ-AWEZNQCLSA-N 404.879 3.083 0 40 HGAB C[C@H](NCC(=O)Nc1cc(-n2cnnn2)ccc1F)c1cccc(Cl)c1Cl 537113002 UKJRRKMRCCZIAQ-JTQLQIEISA-N 409.252 3.398 0 40 HGAB O=C(c1cc(C2CC2)on1)N1CCC(Cn2nc(-c3ccc(F)cc3)ccc2=O)CC1 585147552 PRDXFGXGIYLJRS-UHFFFAOYSA-N 422.460 3.467 0 40 HGAB CC(C)(Cc1ccccc1)NC(=O)CN1CCC(O)(COc2ccccc2F)CC1 585274691 YIFFTMYIVUKYOT-UHFFFAOYSA-N 414.521 3.169 0 40 HGAB CSc1nc(C2CCOCC2)cc(N2CCN(c3ccnc(C(C)C)n3)CC2)n1 1888875937 OCLLTRFLFCBGQQ-UHFFFAOYSA-N 414.579 3.333 0 40 HGAB Cn1cc(-c2cnc(OC3CCN(c4cc(C(F)(F)F)ccn4)CC3)nc2)cn1 1889151957 ZVJGYEZVNMRWDL-UHFFFAOYSA-N 404.396 3.339 0 40 HGAB COc1ccccc1N(CC(=O)NCc1ccccc1)S(=O)(=O)c1ccccc1 885013 FBOYGAVBYPMGBC-UHFFFAOYSA-N 410.495 3.207 0 40 HGAB CC(C)OC(=O)c1ccc(N2C[C@@H](C(=O)OCC(=O)c3ccccc3)CC2=O)cc1 993288 WOQOLHYQKDSAOC-SFHVURJKSA-N 409.438 3.031 0 40 HGAB CCOC(=O)c1ccc(N2C[C@@H](C(=O)O[C@@H](C)C(=O)c3ccc(C)cc3)CC2=O)cc1 993308 ZPUBVDYUEXJPKE-LPHOPBHVSA-N 423.465 3.339 0 40 HGAB COC[C@@H](C)n1c(C)cc(C(=O)COC(=O)c2ccc(N3CCCC3=O)cc2)c1C 2657269 YIEFBZLXNUAEBU-MRXNPFEDSA-N 412.486 3.479 0 40 HGAB COc1cc([C@H]2NC(=O)c3c(sc4c3CCN(C)C4)N2)cc(Br)c1O 2737397 DJRHLOQXZQKVIX-HNNXBMFYSA-N 424.320 3.067 0 40 HGAB Cc1nnc(NC(=O)/C=C/c2ccc(S(=O)(=O)N3CCCCCC3)cc2)s1 3361643 KYMGRGKOZXHMFE-DHZHZOJOSA-N 406.533 3.063 0 40 HGAB CC[C@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)Nc2ccccc2C(C)=O)C1=O 3595287 AOKFQNXMQWZWSF-OAQYLSRUSA-N 413.861 3.338 0 40 HGAB O=C(O)c1cccc(-n2cccc2/C=C2\NC(=O)N(Cc3ccc(F)cc3)C2=O)c1 3659227 KGNMPMDKCLEBKG-UNOMPAQXSA-N 405.385 3.408 0 40 HGAB O=C(CCCC(=O)N1CCc2ccccc2C1)N1CCN(c2ccccc2F)CC1 4682694 RFCNKIAEKMSBGI-UHFFFAOYSA-N 409.505 3.230 0 40 HGAB CC(C)NC(=O)CSc1nc2ccccc2n1CC(=O)N1[C@H](C)CCC[C@H]1C 4859219 XJXNRZOYTJHWBF-HZPDHXFCSA-N 402.564 3.443 0 40 HGAB CCOc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)N(CC)CC)cc2)cc1 5296042 RXIJZTZDGIPJSB-UHFFFAOYSA-N 406.504 3.133 0 40 HGAB CCCOc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(C(N)=O)cc2)cc1OCC 6179691 QKVSXABYYQXDQT-AWEZNQCLSA-N 414.458 3.157 0 40 HGAB Cc1ccc(NS(=O)(=O)c2cccc(F)c2)cc1S(=O)(=O)N1CCCCC1 7056869 PYKPYBNQAMDRGX-UHFFFAOYSA-N 412.508 3.110 0 40 HGAB Cc1cc(=O)oc2cc(OCc3ccc(C(=O)O[C@H](C)C(=O)N(C)C)cc3)ccc12 7088526 RQBSGNCOPBRCRC-OAHLLOKOSA-N 409.438 3.314 0 40 HGAB COc1ccccc1NC(=O)[C@@H](C)Nc1cccc(S(=O)(=O)NC(C)(C)C)c1 7279587 XZGHCCQQIILSTF-CQSZACIVSA-N 405.520 3.211 0 40 HGAB O=C(CSc1nnc(NC(=O)c2c(F)cccc2F)s1)NCc1ccco1 7387867 IGHCCWFYVYDECY-UHFFFAOYSA-N 410.427 3.070 0 40 HGAB CCCc1cc(=O)oc2cc(OC(=O)CCN3C(=O)c4ccccc4C3=O)ccc12 7723976 XLIQFBLQVNRLAY-UHFFFAOYSA-N 405.406 3.337 0 40 HGAB Cc1ccc2c(CSc3nnc(COc4ccccc4F)n3N)cc(=O)oc2c1 7977715 ILAPFXCPJCYXBQ-UHFFFAOYSA-N 412.446 3.417 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)CCc1ccco1 8231474 DZZURRHHKZKYHZ-UHFFFAOYSA-N 406.504 3.424 0 40 HGAB CC(=O)Nc1cccc(NC(=O)CSc2nccn2Cc2ccc3c(c2)OCO3)c1 8601192 FAIQTLBYDVKBAB-UHFFFAOYSA-N 424.482 3.349 0 40 HGAB CCN1C[C@H](CN(C)CC(=O)Nc2ccc(CN3CCCC3)cc2)Oc2ccccc21 8747124 ZPZHZBNRNHVNCA-QFIPXVFZSA-N 422.573 3.440 0 40 HGAB O=C(Nc1ccc(C(=O)O)c(O)c1)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 8908831 GPSQZSNQBMIBJT-UHFFFAOYSA-N 402.362 3.143 0 40 HGAB O=c1c2ncccc2n(Cc2ccc(Cl)cc2Cl)c(=O)n1Cc1ccccn1 9001178 HYFVXSWNHOZOJI-UHFFFAOYSA-N 413.264 3.357 0 40 HGAB CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1ccccc1CSc1nc(C)cs1 9622973 UWZQMLPSQXUXNH-GFCCVEGCSA-N 407.517 3.135 0 40 HGAB COc1ccccc1C(=O)N(c1ccc(Br)cc1)[C@H]1C=CS(=O)(=O)C1 9834028 PHJIKNHWTDRRJB-HNNXBMFYSA-N 422.300 3.415 0 40 HGAB Cc1ccc(-c2noc(CCC(=O)Nc3cc(C(N)=O)ccc3N3CCCC3)n2)cc1 9905672 VJIIYRGOHBQBMS-UHFFFAOYSA-N 419.485 3.315 0 40 HGAB CN(c1ccc(C(=O)NCCCN2CCCCC2)cc1)S(=O)(=O)c1ccccc1 10278270 WALMRUXSFZLMOO-UHFFFAOYSA-N 415.559 3.118 0 40 HGAB CCOC(=O)c1ccc(C)c(NC(=O)CN(c2ccc(C)c(C)c2)S(C)(=O)=O)c1 10444669 BURZZSDNSLMRPZ-UHFFFAOYSA-N 418.515 3.193 0 40 HGAB COc1ccc(-c2ccc(N3CCN(C(=O)C4CCCCC4)CC3)nn2)cc1OC 11695278 HAKSNQVIZHFXQK-UHFFFAOYSA-N 410.518 3.390 0 40 HGAB Cc1cc(OCC(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)c2c3c(c(=O)oc2c1)CCC3 11866966 KDUJSSHYNJDDIY-GYCJOSAFSA-N 411.498 3.123 0 40 HGAB biogenic Cc1nc(COc2ccc(C(=O)OCC(=O)Nc3cc(C(C)(C)C)no3)cc2)no1 12076354 DKOBIMLQWXGSDW-UHFFFAOYSA-N 414.418 3.038 0 40 HGAB CCOC(=O)Cn1ncc2c3sc(C)cc3n(Cc3cccc(OC)c3)c2c1=O 12113471 CZCONUTXCBECHH-UHFFFAOYSA-N 411.483 3.341 0 40 HGAB COc1ccc(-c2cc3c(=O)[nH]nc(SCC(=O)Nc4ccc(C)cc4)n3n2)cc1 12415923 MYSAKAOZLGWWMX-UHFFFAOYSA-N 421.482 3.132 0 40 HGAB O=C(Cc1ccc(NS(=O)(=O)c2cccs2)cc1)NCCc1ccccc1 12536316 OSSJRDSFRBCVNF-UHFFFAOYSA-N 400.525 3.450 0 40 HGAB CNC(=O)c1ccc(S(=O)(=O)Nc2ccc3nc(N4CCCC4)sc3c2)cc1 12631125 PFBBYMKAXWSPSL-UHFFFAOYSA-N 416.528 3.057 0 40 HGAB COc1ccc(-c2cc(CNC(=O)[C@H]3CC(=O)N(c4ccc(OC)cc4)C3)no2)cc1 12638307 KBZSRMJNUXXCRR-INIZCTEOSA-N 421.453 3.028 0 40 HGAB COc1cc(C(=O)Nc2nc(CN3C[C@H](C)O[C@H](C)C3)cs2)cc(OC)c1OC 12781052 GXFDABWDZNBCCN-BETUJISGSA-N 421.519 3.030 0 40 HGAB Cc1ccc(C(=O)NCC(=O)Nc2nc(CN3CCC[C@H](C)C3)cs2)cc1C 12792850 ZZTFOGNBWOGQDU-AWEZNQCLSA-N 400.548 3.360 0 40 HGAB CCCOc1ccc(C(=O)CCC(=O)OCC(=O)NCc2ccccc2F)cc1 12918504 CGRBOSQTTGLUEQ-UHFFFAOYSA-N 401.434 3.437 0 40 HGAB O=C(NC1CCCCC1)[C@H]1CCCN1S(=O)(=O)c1ccc(Br)s1 12999969 DCOSDCSDZFPWPV-GFCCVEGCSA-N 421.382 3.113 0 40 HGAB CC(C)CCNC(=O)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 13038603 DAPWTCWDNJMNHP-UHFFFAOYSA-N 406.470 3.268 0 40 HGAB COc1ccc2nc(NC(=O)c3cccc(S(=O)(=O)NC(C)C)c3)sc2c1 14227591 HSSSTRFIIPEROP-UHFFFAOYSA-N 405.501 3.244 0 40 HGAB COC(=O)Cn1c(S[C@H](C)C(=O)c2ccc(F)c(F)c2)nc2ccccc2c1=O 14242707 MAZSIZKDFHRWJD-LLVKDONJSA-N 418.421 3.211 0 40 HGAB CCN(CC)Cc1ccccc1CNC(=O)Cn1cnc2c(oc3ccccc32)c1=O 16140479 KGLKNQYOBIXDEP-UHFFFAOYSA-N 418.497 3.301 0 40 HGAB CCN(CCO)c1nc(Nc2cccc(OC)c2)c2cnn(-c3ccccc3)c2n1 17288137 YWCLLFRHYYKIRB-UHFFFAOYSA-N 404.474 3.386 0 40 HGAB Cc1ccc(N2CCCC2=O)cc1S(=O)(=O)N1CCCCC[C@@H]1c1cnn(C)c1 19214656 JEKWFSVMGCCAAY-LJQANCHMSA-N 416.547 3.161 0 40 HGAB Cc1cnc(NC(=O)CN2CC3(CCOCC3)Oc3ccc(Cl)cc3C2=O)s1 19239305 HPUOJAQFYXOKKR-UHFFFAOYSA-N 421.906 3.127 0 40 HGAB O=C(c1cccs1)N1CCc2nc([C@@H]3CCCN3C3CCCCC3)[nH]c(=O)c2C1 19342821 PTDQZZYKYTZHSZ-SFHVURJKSA-N 412.559 3.500 0 40 HGAB CCCCn1cc(S(=O)(=O)NCC2(c3ccccc3F)CCOCC2)c(C)n1 19502448 NZGHSMXUFAKQGI-UHFFFAOYSA-N 409.527 3.157 0 40 HGAB CC(C)Nc1n[nH]c2nc([C@H]3CCCN(CC(=O)N(C)C)C3)cc(C(F)(F)F)c12 19695773 VVMHIXSLESMFOP-LBPRGKRZSA-N 412.460 3.065 0 40 HGAB CC(=O)Nc1cccc(C(=O)Nc2ccc3c(c2)CCN3C(=O)c2cccnc2)c1 19819300 UBXRDZXTEFIUDF-UHFFFAOYSA-N 400.438 3.495 0 40 HGAB COc1cccc(N(CC(=O)N(C)C2CCCC2)S(=O)(=O)c2ccccc2)c1 20036499 GLJJNCMSNLKSIK-UHFFFAOYSA-N 402.516 3.292 0 40 HGAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 20111171 WYDAZGQZAXQQLI-LJQANCHMSA-N 422.934 3.031 0 40 HGAB CN1C(=O)c2ccc(C(=O)Nc3nnc(SCc4ccccc4)s3)cc2C1=O 21955687 AEYVYDNMWRPVFQ-UHFFFAOYSA-N 410.480 3.309 0 40 HGAB CC(C)C[C@@H](NC(=O)CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O)c1ccccc1 22026221 LEQXTZZGHHKNRI-DVECYGJZSA-N 421.497 3.120 0 40 HGAB Cc1ccc(COc2coc(CN3CCN(C(=O)c4ccco4)CC3)cc2=O)cc1 22852835 ZSWWIOZZRJSVQA-UHFFFAOYSA-N 408.454 3.078 0 40 HGAB CN(Cc1c(F)cccc1Cl)C(=O)CN1CCC(NC(=O)c2ccccc2)CC1 25827361 VLRYZMMRHWMERA-UHFFFAOYSA-N 417.912 3.332 0 40 HGAB CN(C)S(=O)(=O)c1ccc(CCC(=O)N2CCC(Cc3ccccc3)CC2)cc1 28208400 DGXREBROIBGXMK-UHFFFAOYSA-N 414.571 3.351 0 40 HGAB COc1ccc(CCNC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)cc1 28468127 APDANYGUCHTSQL-UHFFFAOYSA-N 424.522 3.493 0 40 HGAB Cc1noc2nc(-c3ccco3)cc(C(=O)Nc3ccc(N4CCOCC4)cn3)c12 30976216 JVCIISOWIGGWFA-UHFFFAOYSA-N 405.414 3.275 0 40 HGAB O=C(NC(=S)Nc1ccccc1N1CCOCC1)c1cccc(Br)c1 32114893 CHXPWQIWVSMWJZ-UHFFFAOYSA-N 420.332 3.413 0 40 HGAB C[C@@H](Sc1nnc(SCC(N)=O)s1)C(=O)Nc1ccc(F)c(Cl)c1 32776143 WVTNVDHTDJLACW-ZCFIWIBFSA-N 406.917 3.027 0 40 HGAB CC(C)N(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CC[C@@H]1Cc2ccccc2NC1=O 32900223 MYVQQQNDCTXUKP-QGZVFWFLSA-N 418.497 3.251 0 40 HGAB Cc1cc2n(CC(=O)Nc3ccccc3Br)c(=O)c3ccccc3n2n1 32909152 HUXGQNMRCAATNA-UHFFFAOYSA-N 411.259 3.359 0 40 HGAB C[C@H]1CN(C(=O)c2ccccc2NC(=O)c2cc3ccccc3c(=O)[nH]2)C[C@H](C)O1 32909957 JPCUYSOGSCYXJM-GJZGRUSLSA-N 405.454 3.030 0 40 HGAB CCC[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccccc1 32996101 GDTUZJCZRGXURX-HXUWFJFHSA-N 402.516 3.230 0 40 HGAB Cc1ccc2c(c1)cc(S(=O)(=O)c1ccccc1)c(=O)n2CC(=O)NC1CCCC1 33170727 ZIAZZLQKAVOPPA-UHFFFAOYSA-N 424.522 3.202 0 40 HGAB COc1ccc(CNC(=O)CN(C(=O)c2csnn2)c2ccccc2Cl)cc1 35313116 OHNGPEULRQIERR-UHFFFAOYSA-N 416.890 3.163 0 40 HGAB COc1cc([C@@H]2CC(=O)N=C3NC=NN32)cc(Cl)c1OCc1ccc(F)cc1 38200964 QCEDBZPIQUHTTE-HNNXBMFYSA-N 402.813 3.243 0 40 HGAB COc1ccc(-n2nnc(-c3nc(C)c(C(=O)N4CCSCC4)s3)c2C)cc1 38654927 UTPCMOWVWSFTLF-UHFFFAOYSA-N 415.544 3.205 0 40 HGAB COc1ccc(CN(C)C(=O)c2cc(NS(C)(=O)=O)ccc2Cl)cc1OC 38772185 HQKDQSROJFUSBX-UHFFFAOYSA-N 412.895 3.001 0 40 HGAB Cc1cc(=O)c(C(=O)NCc2ccnc(N3CCCC3)c2)nn1-c1ccccc1Cl 40049922 OVMMXZWYNLHMBA-UHFFFAOYSA-N 423.904 3.120 0 40 HGAB C[C@@H]1CCc2c(sc(NC(=O)[C@H]3CCS(=O)(=O)C3)c2C(=O)c2ccccc2)C1 40072361 RTNSHIYPAHXRNM-HIFRSBDPSA-N 417.552 3.477 0 40 HGAB CC(C)NC(=O)c1cccc(NC(=O)NCCc2cc(F)cc3c2OCOC3)c1 40120255 CQVYKWVLBZTILA-UHFFFAOYSA-N 401.438 3.195 0 40 HGAB Cc1cc(C)n(-c2ccccc2NC(=O)NCc2cccc(NS(C)(=O)=O)c2)n1 44208575 FPXZKHNZUZDZTL-UHFFFAOYSA-N 413.503 3.182 0 40 HGAB CC[C@@H](NC(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC)c1ccc(C)cc1 44899983 MVJFKZDIHQXPLA-GOSISDBHSA-N 418.515 3.147 0 40 HGAB CCOC(=O)N(C)CC(=O)N[C@H](C)c1cnn(-c2cccc(C(F)(F)F)c2)c1C 47923070 YIJJFTRDPAFHGD-GFCCVEGCSA-N 412.412 3.465 0 40 HGAB COc1ccccc1NC(=O)Cn1c(=O)n(-c2ccccc2C)c(=O)c2sccc21 57489630 KDESDQYRIDZRTI-UHFFFAOYSA-N 421.478 3.170 0 40 HGAB Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)CSc3ccccc3)cc2)n1 59014409 LBQZIYRLKPMVAL-UHFFFAOYSA-N 414.512 3.317 0 40 HGAB Cc1nc(-c2cccc(F)c2)n(CC(=O)Nc2ccc(Cl)cc2)c(=O)c1CCO 67316791 FEYAHZHQWOCKFG-UHFFFAOYSA-N 415.852 3.185 0 40 HGAB CCOC(=O)[C@H](CCC1CCCCC1)N[C@@H](C)C(=O)N1[C@H](C(=O)O)C[C@@H]2CCC[C@@H]21 67665345 REDFEBRIUVBHFO-JBDAPHQKSA-N 422.566 3.111 0 40 HGAB in-vitro O=C(COC(=O)c1ccc(Br)o1)NCc1ccc(Br)cc1 72333868 NEKKLFNEAPPTMH-UHFFFAOYSA-N 417.053 3.278 0 40 HGAB CN(C)C(=O)[C@]1(Cc2ccccc2-c2cccnc2)CN(C(=O)CC(C)(C)C)CCO1 72389029 BLLZIDPDOVNOQB-VWLOTQADSA-N 423.557 3.413 0 40 HGAB CCOC(=O)c1sc(NC(=O)c2cc(-c3ccc(OC)cc3)nn2C)nc1C 72403040 RSCYEDCWXXCPMO-UHFFFAOYSA-N 400.460 3.290 0 40 HGAB Cc1ccccc1[C@@H](O)CNC(=O)C(=O)Nc1ccnn1Cc1ccc(C(C)C)cc1 89689177 GXHHQUFBJUYRKR-NRFANRHFSA-N 420.513 3.152 0 40 HGAB COc1ccc(CCN2C(=O)[C@@H](C(=O)O)[C@H]3C[C@@]2(C)Oc2ccccc23)cc1OC 100213390 HROGDGHGXBIPPD-ITSWEJNFSA-N 411.454 3.072 0 40 HGAB CC[C@H](C(=O)NCc1cccc(OC(C)C)c1)N(c1ccccc1)S(C)(=O)=O 113945770 CUNWDDQHIHAQBU-HXUWFJFHSA-N 404.532 3.335 0 40 HGAB CC[C@@H](C(=O)N[C@H](C)COc1ccccc1C)N(c1ccc(F)cc1)S(C)(=O)=O 219115774 UMUBLIVCSXMDGS-APWZRJJASA-N 422.522 3.262 0 40 HGAB COc1ccc(-c2noc(CNC(=O)[C@H](C)Oc3cc(C)cc(C)c3)n2)c(OC)c1 219552747 KYKNVINNEVSLKJ-HNNXBMFYSA-N 411.458 3.454 0 40 HGAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)COc1ccccc1OC 223843533 KMCGIIKGHMXJFM-MRXNPFEDSA-N 402.466 3.157 0 40 HGAB CN(C)c1ncc(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)c(N(C)C)n1 224342001 YORAYDCBLVVCCJ-UHFFFAOYSA-N 413.503 3.202 0 40 HGAB C[C@@H](CNC(=O)CCCN(c1ccc(F)cc1F)S(C)(=O)=O)c1ccccc1 224812063 NGKGKLKQFCHQNG-HNNXBMFYSA-N 410.486 3.431 0 40 HGAB COc1ccc(C(=O)N2CCS/C2=C/c2cnc(SC)nc2OC)cc1OC 225238883 WFKCGWAIRWXQGS-MHWRWJLKSA-N 419.528 3.412 0 40 HGAB COc1ccc(-c2noc(CNC(=S)Nc3cccc(N4CCCC4=O)c3)n2)cc1 225824595 MEDZORRLYZPLPF-UHFFFAOYSA-N 423.498 3.359 0 40 HGAB Cc1cccc(N(CN2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@@H]3C2=O)[C@@H]2C[C@H]42)C(=O)C(F)(F)F)c1C 226401206 PNWHRTXUMWLGCL-FLMUCADWSA-N 418.415 3.209 0 40 HGAB C[C@@]12CC[C@@H](C[C@H]1C(=O)NCCc1ccncc1)[C@]1(C2)NC(=O)c2ccccc2O1 253596097 NCVKOCNEDUKGLS-BYYBNQSPSA-N 405.498 3.085 0 40 HGAB C[C@@]12CC[C@@H](C[C@H]1C(=O)NCCc1ccncc1)[C@@]1(C2)NC(=O)c2ccccc2O1 253596098 NCVKOCNEDUKGLS-NZUPQLOKSA-N 405.498 3.085 0 40 HGAB CN(CC(=O)N1CCC[C@](COc2cccc(Cl)c2)(CC(N)=O)C1)C1CCCC1 257267780 MISINMCRHKQSPH-QFIPXVFZSA-N 421.969 3.077 0 40 HGAB Cc1ncc(C(=O)N(C)C)c([C@H]2CC[C@H](CNC(=O)Cc3ccccc3F)CC2)n1 257281819 ORDKQVRBNRIOPH-QAQDUYKDSA-N 412.509 3.259 0 40 HGAB CN(C)c1cc([C@@H]2CCCN2C(=O)C(C)(C)NC(=O)Cc2ccc(F)cc2)ccn1 257285802 PIYINWVNAWXMTL-IBGZPJMESA-N 412.509 3.088 0 40 HGAB FC(F)(F)c1ccc(OCCc2cc([C@H]3CN(c4ncccn4)CCO3)n[nH]2)cc1 257319825 VUFCVAOSMCEOPK-GOSISDBHSA-N 419.407 3.418 0 40 HGAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NC(C)(C)C)C2)cc1Cl 408625364 SHGSTQKTKXDVQO-CYBMUJFWSA-N 402.944 3.054 0 40 HGAB COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC[C@@H](C(=O)N2CCC(C)CC2)C1 408700408 FOUXAXODUBTGSC-LJQANCHMSA-N 422.591 3.478 0 40 HGAB COc1ccccc1NC(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O 409027867 FUOOZQIANLDDSH-UHFFFAOYSA-N 403.287 3.407 0 40 HGAB COC(=O)CN1C(=O)/C(=C/c2ccc(OCc3cccc(C)c3)cc2)N(C)C1=S 409217331 PDQKMSBUIVUDHS-UNOMPAQXSA-N 410.495 3.147 0 40 HGAB CCc1cc(C(=O)N[C@@H](C)c2ccccc2NS(=O)(=O)c2cccs2)n[nH]1 533150341 ATTDMYNRTUAFTI-LBPRGKRZSA-N 404.517 3.325 0 40 HGAB CC(=O)N1CCCC[C@H]2CN([C@H]3CCC[C@@H](Oc4ccc(C)cc4)[C@@H]3O)CC[C@H]21 585288925 LIEIJTWVYHMYOY-LKAHAZCJSA-N 400.563 3.379 0 40 HGAB Cc1nc(Nc2nnc(C)s2)cc([C@@H]2CCCN(C(=O)/C=C/c3ccco3)C2)n1 585293082 WJCXEPGTOHMZEH-MVGZEHJDSA-N 410.503 3.701 0 40 HGAB Cc1csc(NC(=O)CN2C(=O)c3ccccc3N3C(=O)c4ccccc4[C@@H]23)n1 604419691 SKBVAIZGGFVHNY-SFHVURJKSA-N 404.451 3.205 0 40 HGAB O=C(Nc1ccc(C(F)(F)F)cc1)N1CCCc2cnc(N3CCOCC3)nc21 675008318 QSVSCDGKEGQRAV-UHFFFAOYSA-N 407.396 3.317 0 40 HGAB Cc1nn(C(C)C)c(C)c1S(=O)(=O)NC[C@@H](O)c1ccc(-c2ccco2)s1 1775968374 DLWJIWIPISNQDI-CQSZACIVSA-N 409.533 3.414 0 40 HGAB Cc1cc(N2C[C@H]3CN(c4ncccc4C(F)(F)F)C[C@@H]3C2)n2nc(C)cc2n1 1888906637 WPBPCCPDAMPCHN-GJZGRUSLSA-N 402.424 3.333 0 40 HGAB O=C(c1noc2c1CCCC2)N1CC[C@@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@H]21 1889139471 IFLPXSWNRUWYQA-IUODEOHRSA-N 406.408 3.318 0 40 HGAB Cc1cc(Nc2ncc(C)s2)nc(CC2CCN(C(=O)[C@@H](N)CC(C)C)CC2)n1 2037834881 BUIJQPIDHMAFCT-KRWDZBQOSA-N 416.595 3.448 0 40 HGAB COc1ccccc1NC(=O)CSc1nnc(-c2ccc(OC)c(OC)c2)n1C 916940 KPRQGQPFWVJJEL-UHFFFAOYSA-N 414.487 3.239 0 40 HGAB O=C(Nc1ccccc1)[C@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 1401320 WNFPRCJAKLDWNJ-MRXNPFEDSA-N 409.305 3.241 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCN(c3ncnc4sc(C)c(C)c34)CC2)cc1 1465779 QDEZPPPDSOOLME-UHFFFAOYSA-N 402.545 3.127 0 40 HGAB CCOC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)CN1CCCC[C@@H]1CCO 2453245 TZAZGZWAPPMIRL-CQSZACIVSA-N 407.898 3.173 0 40 HGAB O=C([C@@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1)N1CCN(c2ccc(F)cc2)CC1 2954404 UCLCAJWOGHQWFX-CQSZACIVSA-N 419.859 3.320 0 40 HGAB Cc1ccc(N2CCn3c2nc2c3c(=O)n(Cc3cc(C)ccc3C)c(=O)n2C)cc1 3015806 FSOSCJGEOQVPIQ-UHFFFAOYSA-N 415.497 3.022 0 40 HGAB Cc1cc(NC(=O)COC(=O)[C@@H]2COc3ccccc3O2)ccc1Br 3497744 OBFMEXPAZNDBCY-INIZCTEOSA-N 406.232 3.079 0 40 HGAB O=C(Nc1nnc(C2CC2)s1)c1nn(Cc2ccccc2)c(=O)c2ccccc12 3550929 XOCIPCSBRMJAGO-UHFFFAOYSA-N 403.467 3.426 0 40 HGAB CCCOc1ccc(CN(C(=O)c2ccccc2F)[C@@H]2CCS(=O)(=O)C2)cc1 4186441 VPOLGYMNOKFKGS-QGZVFWFLSA-N 405.491 3.444 0 40 HGAB O=C(CSc1nnc(-c2ccco2)o1)NC(=O)NC12CC3CC(CC(C3)C1)C2 4828287 MZRQJELIEAZODM-UHFFFAOYSA-N 402.476 3.216 0 40 HGAB CCOc1ccc(-n2ccnc(SCC(=O)NCc3ccc(F)cc3)c2=O)cc1 4853283 PIMYXHXXUSNSPB-UHFFFAOYSA-N 413.474 3.179 0 40 HGAB Cc1ccc2cc([C@H]3CC(c4ccccc4)=NN3C(=O)CCC(=O)O)c(=O)[nH]c2c1 4863650 DOIOVNGUJOPLFR-HXUWFJFHSA-N 403.438 3.379 0 40 HGAB CCCn1c(=O)c2c(nc3n2CCN3c2ccc(Oc3ccccc3)cc2)n(C)c1=O 5083062 PZWJUZAYJDSYJK-UHFFFAOYSA-N 417.469 3.251 0 40 HGAB C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3ccc4c(c3)CCC4)cc2)C[C@@H](C)O1 6236234 SPKXZZJBMSNUBH-HZPDHXFCSA-N 414.527 3.226 0 40 HGAB CCC(=O)NC(=S)Nc1ccc(NC(=S)NC(=O)c2cccc(C)c2)cc1 6709444 DBOBEQFTQSAPEC-UHFFFAOYSA-N 400.529 3.345 0 40 HGAB COc1cccc(NC(=O)COC(=O)CCC(=O)Nc2cc(Cl)ccc2OC)c1 7939930 XHVAQCYTSFDXGI-UHFFFAOYSA-N 420.849 3.258 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)Nc1ccc2c(c1)OCCCO2 8074126 MYEVIJHFESBBNN-UHFFFAOYSA-N 416.499 3.193 0 40 HGAB CCN(CC)C(=O)[C@H](Sc1nnc(Cc2ccccc2F)n1N)c1ccccc1 8395326 NGHWDNINTCVWHU-LJQANCHMSA-N 413.522 3.424 0 40 HGAB COc1ccc([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2ccccc2F)c(OC)c1 8767276 JWSVCTWQJWRUAN-SFHVURJKSA-N 401.463 3.274 0 40 HGAB COc1ccc(-c2nnc(NC(=O)c3ccccc3NC(=O)C(F)(F)F)o2)cc1 9062278 BBLPSGIIFTVLGI-UHFFFAOYSA-N 406.320 3.498 0 40 HGAB Cc1ccc(N2CCn3c(SCC(=O)Nc4ccc5c(c4)OCO5)nnc32)cc1 9651594 ABEBYKSKWVCOCI-UHFFFAOYSA-N 409.471 3.198 0 40 HGAB NC(=O)c1ccsc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 9714953 LFZZLNZRPVTENE-UHFFFAOYSA-N 419.459 3.039 0 40 HGAB C[C@@H](Nc1cccc(N2CCCC2=O)c1)C(=O)Nc1ccc(N2CCOCC2)cc1 9909765 GYXLIJNALFVCHG-QGZVFWFLSA-N 408.502 3.089 0 40 HGAB C[C@H](NC(=O)Cc1csc(-c2ccccn2)n1)c1ccc(S(C)(=O)=O)cc1 10968393 NNIOEEKALIAZGN-ZDUSSCGKSA-N 401.513 3.029 0 40 HGAB NC(=O)[C@@H](OC(=O)CCc1nc(-c2ccc(Cl)cc2)no1)c1ccc(F)cc1 11259990 RIJXTFYORLWHCX-KRWDZBQOSA-N 403.797 3.232 0 40 HGAB CCOc1ccc(CC(=O)Nc2cc(-c3ccco3)nn2-c2nc(C)cc(=O)[nH]2)cc1 12006406 WSDFPAGIYOQHNB-UHFFFAOYSA-N 419.441 3.104 0 40 HGAB CN(CCc1cn[nH]c1)c1ncc(-c2ccc3c(c2)OCO3)c(-c2nccs2)n1 12186447 QEQFPBONRXRMKL-UHFFFAOYSA-N 406.471 3.398 0 40 HGAB COc1ccc(OC)c(CC(=O)N2CCC(c3noc(-c4ccccn4)n3)CC2)c1 12328055 QNKQCENNMGZNKH-UHFFFAOYSA-N 408.458 3.098 0 40 HGAB O=C(COc1ccc(Cl)cc1)NCCOc1ccc2nnc(-c3ccccc3)n2n1 12443214 MVPDZOWMIRERHC-UHFFFAOYSA-N 423.860 3.019 0 40 HGAB CCONC(=O)c1cccc(S(=O)(=O)Nc2cc(C)ccc2Br)c1 12548714 CLWLRASZKWQMMH-UHFFFAOYSA-N 413.293 3.240 0 40 HGAB Cc1ccc(-n2c(SCC(=O)N(C)Cc3ccco3)nc3ccccc3c2=O)nc1 12593276 UHGMYDHRLVHKRG-UHFFFAOYSA-N 420.494 3.433 0 40 HGAB CCn1c(SCC(=O)N(C)Cc2nc3ccccc3c(=O)[nH]2)nc2ccccc21 12604332 AKNJCDWCMOPHQG-UHFFFAOYSA-N 407.499 3.043 0 40 HGAB O=S(=O)(/C=C/c1ccccc1)Nc1cccc(S(=O)(=O)NCc2ccco2)c1 12605348 QHEOQELPWRNYQF-ACCUITESSA-N 418.496 3.171 0 40 HGAB Cc1ccc(S(=O)(=O)N[C@H](C(=O)N[C@@H](C)c2ccc(F)c(F)c2)C(C)C)cc1 14229250 BPHIJUIEABEOAI-LIRRHRJNSA-N 410.486 3.454 0 40 HGAB CCCn1nc(C(=O)NC[C@H](c2ccccc2)N2CCCC2)c2ccccc2c1=O 14248902 HVVWZHAMXBQYJB-OAQYLSRUSA-N 404.514 3.373 0 40 HGAB COCC(=O)N1CC[C@@](Cc2ccc(-c3ccsc3)cc2)(C(=O)NC(C)C)C1 19449231 IYOOUEIMBMKCAR-QFIPXVFZSA-N 400.544 3.347 0 40 HGAB COc1ccc(-c2cc3nc([C@H](C)NC(=O)C4CCC(OC)CC4)nn3cn2)cc1 19574377 OCKVYQJLVUUUKS-NXVRBGIVSA-N 409.490 3.182 0 40 HGAB CN1C[C@H](C(=O)Nc2cccc(F)c2)C[C@@H]1C1CCN(C(=O)c2ccncc2)CC1 19587621 RRGQNNGSPXJTOA-WIYYLYMNSA-N 410.493 3.032 0 40 HGAB COc1ccccc1-c1ccc(NC(=O)CNC2=NS(=O)(=O)c3ccccc32)cc1 19655909 LZRLJWADMSDBEU-UHFFFAOYSA-N 421.478 3.039 0 40 HGAB Cc1cc(C)cc(O[C@@H](C)C(=O)N2CCC(c3ccc(C(=O)N(C)C)c(N)n3)CC2)c1 19765968 PQOKIQAHYOLIDO-KRWDZBQOSA-N 424.545 3.156 0 40 HGAB COc1ccc(CCNC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)cc1 20061854 XMMHEWWUQICJAD-UHFFFAOYSA-N 422.934 3.106 0 40 HGAB CC(C)Oc1cccc(CCCNC(=O)CN(c2ccccc2F)S(C)(=O)=O)c1 22335176 ANEYFORHXYLDLZ-UHFFFAOYSA-N 422.522 3.128 0 40 HGAB CC(C)(C)OC(=O)NC1(CNC(=O)c2cccc(-n3cnnn3)c2)CCCCCC1 24494302 MWZKHERCBJAKHB-UHFFFAOYSA-N 414.510 3.010 0 40 HGAB O=C(Nc1ccccc1SC1CCCC1)C1CCN(c2ccc3nnnn3n2)CC1 25267323 RGJWBAFJAUVDQZ-UHFFFAOYSA-N 423.546 3.409 0 40 HGAB COc1ccc([C@@H](CNC(=O)COc2ccc(C(C)C)cc2)N2CCOCC2)cc1 25450442 KDPSAOCIHOCWTL-HSZRJFAPSA-N 412.530 3.387 0 40 HGAB O=C(NC1CCCCCCC1)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1 26564362 XCUCUODAHKLNNN-UHFFFAOYSA-N 413.971 3.365 0 40 HGAB Cc1ccc(-c2cc(C(=O)NCCN3CCN(c4ccc(F)cc4)CC3)[nH]n2)cc1 27614230 DEGWKQLFRGBIHX-UHFFFAOYSA-N 407.493 3.076 0 40 HGAB C[C@@H](CCc1ccccc1)NC(=O)COc1ccc(S(=O)(=O)N(C)C)cc1Cl 28208058 UZCAIHGVVWGJFY-HNNXBMFYSA-N 424.950 3.107 0 40 HGAB Cc1cc(C)cc(O[C@@H](C)C(=O)N(Cc2ccccc2F)[C@@H]2CCS(=O)(=O)C2)c1 28228681 KLLSZAHJMXQKSL-PKOBYXMFSA-N 419.518 3.426 0 40 HGAB COc1ccc([C@H](CNS(=O)(=O)c2cccc3cccnc23)N2CCCC2)cc1 28249275 HIVUQFBJHZMBIR-FQEVSTJZSA-N 411.527 3.359 0 40 HGAB COc1ccc2c(C)c(CCC(=O)NC[C@@H]3CCCN4CCCC[C@@H]34)c(=O)oc2c1 28349599 DIBZKXKHRBMLOY-UWJYYQICSA-N 412.530 3.423 0 40 HGAB biogenic O=C(CSc1nc2ccccc2o1)NC[C@H](c1cccs1)N1CCOCC1 30014980 HTUOHIPOBPFAEX-OAHLLOKOSA-N 403.529 3.171 0 40 HGAB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)[C@H]1CCCN(C(=O)c2ccoc2)C1 30569604 ZVVZWHDMPVZZAL-FQEVSTJZSA-N 420.513 3.310 0 40 HGAB O=S1(=O)C[C@H]2N=C(SCc3ccccc3F)N(c3ccc(F)cc3F)[C@H]2C1 32641156 FZHTZNQHFJFACO-WBVHZDCISA-N 412.458 3.379 0 40 HGAB COc1ccc(OC)c(NC(=O)Cc2cc3c(cc2Br)OCCO3)c1 32740617 PFBCQZYCOHOKTE-UHFFFAOYSA-N 408.248 3.419 0 40 HGAB O=C1[C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C(=O)N1c1cccc2ccccc12 37238672 PYRMPYBBYPZIHI-IMIIHFCZSA-N 423.472 3.271 0 40 HGAB biogenic COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)c1cc2cccc(OC)c2o1 44846470 QPBZLCBNSDTACB-UHFFFAOYSA-N 418.471 3.389 0 40 HGAB Cc1nc2c(cnn2C(C)C)c(C)c1CCC(=O)Nc1n[nH]c(-c2ccccn2)n1 47343130 ZMNPOHDXGBXURI-UHFFFAOYSA-N 404.478 3.380 0 40 HGAB Cn1c(SCC(=O)N(CCC(N)=O)c2ccc(F)cc2)nc2cc(Cl)ccc21 48354684 NTGVREBJQDNJSP-UHFFFAOYSA-N 420.897 3.367 0 40 HGAB COc1cccc(NC(=O)Cn2cccc(-c3nc(-c4ccc(F)cc4)no3)c2=O)c1 49002393 QUUZJJSQVGVQON-UHFFFAOYSA-N 420.400 3.352 0 40 HGAB COc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCc3ccco3)cc2C)cc1 55631090 UVOAGLRNRKEKTK-UHFFFAOYSA-N 400.456 3.327 0 40 HGAB COC(=O)c1sc(NCC2(c3ccc4c(c3)OCO4)CCOCC2)nc1Cl 58402442 MQVHLGHKSRLENW-UHFFFAOYSA-N 410.879 3.472 0 40 HGAB CCOC(=O)N1CCC(NC(=O)CN(C)c2nc3c(C)ccc(C)c3s2)CC1 70973954 DTOZJXZWIFHTAR-UHFFFAOYSA-N 404.536 3.086 0 40 HGAB O=C(CN1CCOCC1)N1CCC[C@@H](c2cccc(Cc3ccc(Cl)cc3)n2)C1 72349720 RXNOQKBTILIDSE-LJQANCHMSA-N 413.949 3.364 0 40 HGAB N[C@H](C(=O)NCC1CCC(c2ccnc(Nc3cnccn3)n2)CC1)c1ccccc1 72380008 UYJWXRUVRXCYAF-BPZDKFOGSA-N 417.517 3.100 0 40 HGAB C[C@H](OC(=O)[C@@H]1C[C@@H](C)Nc2ccccc21)C(=O)N1CCN(c2ccccc2)CC1 78999695 QPMAAOZRKFQLES-LVCYWYKZSA-N 407.514 3.255 0 40 HGAB COc1ccc(Br)c(C(=O)N2CC[C@H](S(=O)(=O)c3ccccc3)C2)c1 96025377 GPLRYNVHHQHEDK-HNNXBMFYSA-N 424.316 3.146 0 40 HGAB Cn1cc(CN2CCC3(CC2)C[C@@H](CC(=O)N2CCCC2)c2ccccc2O3)cn1 96053212 FXBOBKPJTLJILG-HXUWFJFHSA-N 408.546 3.334 0 40 HGAB COc1ccc(S(=O)(=O)N[C@H](C)c2onc(-c3ccc(F)cc3)c2C(=O)O)cc1 96297045 BOKCQAGCJCAVSC-LLVKDONJSA-N 420.418 3.227 0 40 HGAB biogenic,in-vitro Cc1cc(=O)n2c(n1)SC[C@H]2CC(=O)NCc1sc(-c2ccccc2)nc1C 96342238 MMTXGMVYQGJQBX-OAHLLOKOSA-N 412.540 3.337 0 40 HGAB CCCn1/c(=N/C(=O)c2ccc(N(C)C)cc2)sc2cc(S(C)(=O)=O)ccc21 100892902 SXVNTCBAIOACSA-MRCUWXFGSA-N 417.556 3.323 0 40 HGAB Cc1ccc(N2C(=O)[C@H]3[C@@H](C(=O)C(C)(C)C)N4N=Cc5ccccc5[C@H]4[C@@H]3C2=O)cc1 103532221 FFSUGNKQQRZUEM-CGXNFDGLSA-N 415.493 3.489 0 40 HGAB Cc1ccccc1CNC(=O)CN(c1ccc(C(F)(F)F)cc1)S(C)(=O)=O 220042012 LPLHKJIXMHSJBJ-UHFFFAOYSA-N 400.422 3.096 0 40 HGAB CCc1ccc(N([C@H](C)C(=O)NCCSc2ccccc2)S(C)(=O)=O)cc1 220266664 QACARCBZTKTDMI-MRXNPFEDSA-N 406.573 3.312 0 40 HGAB C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](Cc2nc(-c3ccsc3)no2)C1 220919366 QGDXIPXOHJNHPM-UONOGXRCSA-N 420.535 3.492 0 40 HGAB Cc1ccc(CN(CC(=O)N[C@@H](C)c2ccc3c(c2)CCC3)S(C)(=O)=O)cc1 223253338 FNOBJOPZRYIJAH-KRWDZBQOSA-N 400.544 3.123 0 40 HGAB CNC(=O)COc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 223277106 XBLIMZTUSOFFQW-UHFFFAOYSA-N 422.812 3.284 0 40 HGAB CC(C)c1ccccc1OCCNC(=O)[C@H](C)N(c1ccccc1F)S(C)(=O)=O 223801170 AZDMVAKTZLXVDZ-INIZCTEOSA-N 422.522 3.299 0 40 HGAB CNC(=O)c1cc(S(=O)(=O)N(C)Cc2ccc(C(C)(C)C)cc2)ccc1OC 223878046 UKYZFZVUCBCATR-UHFFFAOYSA-N 404.532 3.173 0 40 HGAB CC[C@@H](C(=O)NCCOc1ccc(Cl)cc1)N(c1ccccc1)S(C)(=O)=O 224297099 WMSOIPNVUACGBN-SFHVURJKSA-N 410.923 3.080 0 40 HGAB COc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NCc3ccccc3)cc2)cc1 224436234 VUMSJPUZKPWYRI-UHFFFAOYSA-N 424.522 3.446 0 40 HGAB Cc1nccn1Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 225297337 ARKYHFJWQNSLKB-UHFFFAOYSA-N 424.526 3.277 0 40 HGAB O=C1CCCC[C@H]1N1CCC(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)CC1 244975228 IHILJPQZXYOGHP-GOSISDBHSA-N 410.484 3.199 0 40 HGAB CC1(C(=O)N2CCC[C@H](Cc3cc[nH]n3)C2)CCN(C(=O)CCc2ccccc2)CC1 257247801 JAOGQJUMMWLAFH-OAQYLSRUSA-N 422.573 3.452 0 40 HGAB CC(=O)NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H](N(C)C(=O)c2ccccc2C)CC1 257339487 ZBYSKGDQMFRMCK-VDKIKQQVSA-N 408.542 3.445 0 40 HGAB C[C@H]1CCCCN1c1cc(C(F)(F)F)nc(NC(=S)NC[C@H]2CCCO2)n1 260724329 ZDBXZLDPJMEAQF-NWDGAFQWSA-N 403.474 3.340 0 40 HGAB COc1ccc2c(c1C)CC[C@@H]([C@]1(O)C(=O)Nc3ccc(Br)cc31)C2=O 408569391 WJXVAEMABCWXGZ-JLTOFOAXSA-N 416.271 3.351 0 40 HGAB COCCNC(=O)c1cc(S(=O)(=O)Nc2c(Cl)cccc2Cl)ccc1C 408605749 NKFVWVHFCJQHFT-UHFFFAOYSA-N 417.314 3.479 0 40 HGAB CCOc1c(I)cc(/C=C2/SC(=O)N(C)C2=O)cc1OC 408817404 NHSPLEPMTPDTNQ-YRNVUSSQSA-N 419.240 3.365 0 40 HGAB O=C(NCc1cnc2n1CCCC2)N1CCC2(CCN(Cc3ccccc3)CC2)C1 562396166 NLXHJUODAZDPIC-UHFFFAOYSA-N 407.562 3.417 0 40 HGAB CC(C)(C(=O)N1CCC2(CC1)C[C@H](O)CNC2=O)c1ccc(-c2ccccc2)cc1 1558048578 INMMNCSFJGTJKI-NRFANRHFSA-N 406.526 3.121 0 40 HGAB CS(=O)(=O)c1cc(-c2ccccc2)cc(S(=O)(=O)c2ccc(CN)s2)c1 1776011385 ADIBEGOVRYXDOX-UHFFFAOYSA-N 407.538 3.110 0 40 HGAB CS(=O)(=O)c1cccc2sc(N3CCC[C@H](COc4ccncc4)C3)nc12 1888897061 FMMKVLOJWQKVGP-AWEZNQCLSA-N 403.529 3.390 0 40 HGAB Brc1ccc2ncnc(N3CCC(COc4cnccn4)CC3)c2c1 1889201651 HBMPJADRELKOJN-UHFFFAOYSA-N 400.280 3.478 0 40 HGAB CCOC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccc(O)cc3)n2C)cc1 906915 PKERRSDDBRUPAY-UHFFFAOYSA-N 412.471 3.095 0 40 HGAB COc1ccc(-c2nnc(SCC(=O)Nc3ccccc3C(F)(F)F)n2N)cc1 938917 RRXXKKQJNUQZNS-UHFFFAOYSA-N 423.420 3.417 0 40 HGAB O=C(CN1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O)Nc1cccc(O)c1 990745 XVCSLZJXRHEENL-MXXWWZHRSA-N 424.456 3.223 0 40 HGAB O=C1C[C@@H](n2nc(COc3ccccc3)n(-c3ccccc3)c2=S)[C@H]2CO[C@@H]1O2 1024941 FBIOLMDPKYLULT-YVWKXTFCSA-N 409.467 3.238 0 40 HGAB Cc1nc(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c2c(C)c(C)sc2n1 1377241 SBEYSIJPNYXBAR-UHFFFAOYSA-N 420.535 3.267 0 40 HGAB CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC(=O)O 2244303 OQDQZWFFGFLZNI-FQEVSTJZSA-N 410.470 3.141 0 40 HGAB COc1ccc(CNC(=O)CNC(=O)c2ccc(-c3ccccc3)cc2)cc1OC 2617863 NLQJIBPDENUGEW-UHFFFAOYSA-N 404.466 3.417 0 40 HGAB COc1ccc(CN(C)[C@@H](C)C(=O)Nc2ccc(C(C)=O)cc2)c(OC)c1OC 3421882 MFLMGLQDKSFBLX-AWEZNQCLSA-N 400.475 3.374 0 40 HGAB COCCNC(=O)CSc1nnc(-c2cccc(OC)c2)n1-c1ccc(C)cc1 3427128 BQNLORBEAOGXLB-UHFFFAOYSA-N 412.515 3.106 0 40 HGAB C[C@]1(c2ccccc2Cl)NC(=O)N(CC(=O)NCc2cccc(Cl)c2)C1=O 3519347 XTGQHIPJWNUKAA-LJQANCHMSA-N 406.269 3.077 0 40 HGAB COc1ccccc1CNC(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1 3615023 KHDDOUFWQNCEHO-UHFFFAOYSA-N 402.516 3.108 0 40 HGAB Cc1cc(Cl)ccc1N(CC(=O)NCCSCc1ccco1)S(C)(=O)=O 4575243 KKDMPKIAVFZDDP-UHFFFAOYSA-N 416.952 3.057 0 40 HGAB O=C(C(=O)N1CCCc2ccccc21)c1cn(CC(=O)N2CCCC2)c2ccccc12 5087164 WYNGQBUTGBERPS-UHFFFAOYSA-N 415.493 3.426 0 40 HGAB COc1cc(OC)c(NC(=O)[C@H](C(C)C)n2nnc3ccccc3c2=O)cc1Cl 5324400 TZOUQALQORZIQA-SFHVURJKSA-N 416.865 3.298 0 40 HGAB O=S(=O)(c1ccc(NCn2ccnc2)cc1)c1ccc(NCn2ccnc2)cc1 6198955 YDIXNHPLOQRNSC-UHFFFAOYSA-N 408.487 3.052 0 40 HGAB C[C@@H]1CCc2c(sc3c2c(=O)n(CC(=O)O)c(=O)n3CCCc2ccccc2)C1 6759007 HHECKJMGACEUOZ-CQSZACIVSA-N 412.511 3.067 0 40 HGAB CCOC(=O)[C@H]1CCCCN1C(=O)CSc1nnc2cc(C)c3ccccc3n12 7246028 IUKDVPJBXYHCSE-QGZVFWFLSA-N 412.515 3.227 0 40 HGAB CCCCN1C(=O)c2ccc(C(=O)N3CCc4cc(OC)c(OC)cc4C3)cc2C1=O 7756105 HLVNNGYUXZNGID-UHFFFAOYSA-N 422.481 3.298 0 40 HGAB CNS(=O)(=O)c1ccc(NC(=O)c2cccc(OCc3c(C)noc3C)c2)cc1 8087945 YYMRYSUJEYMTCT-UHFFFAOYSA-N 415.471 3.031 0 40 HGAB Cc1cc(C)n2nc(SCC(=O)N[C@H](C)c3ccc(Br)cc3)nc2n1 8769553 DUKMZPWCSQVYFQ-GFCCVEGCSA-N 420.336 3.473 0 40 HGAB O=C(CSc1ccccc1C(=O)NCc1cccnc1)Nc1ccc2c(c1)OCO2 9121401 SPDMEMXXAWMLFS-UHFFFAOYSA-N 421.478 3.471 0 40 HGAB COCCn1c(S[C@@H](C)C(N)=O)nc2scc(-c3ccccc3Cl)c2c1=O 9141034 UYDLJXMHRHFSII-JTQLQIEISA-N 423.947 3.391 0 40 HGAB COc1ccc(N2C[C@@H](c3nc(-c4ccc(N(C)C)cc4)no3)CC2=O)cc1OC 9320893 GTZTVJUEPJUUEB-HNNXBMFYSA-N 408.458 3.340 0 40 HGAB O=C(Nc1nccs1)c1cn(C[C@H]2CCCO2)cc2c(=O)n(-c3ccccc3)nc1-2 9663708 VOPRHPWTDYUBSP-OAHLLOKOSA-N 421.482 3.027 0 40 HGAB CCn1nc(C(=O)Nc2ccccc2I)c2ccccc2c1=O 9703881 RTGFVCDGHTVSMQ-UHFFFAOYSA-N 419.222 3.273 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3c(F)cccc3F)C2)cc1C 9974527 XMXRDMZLEJDVQM-CQSZACIVSA-N 424.469 3.321 0 40 HGAB CC(C)[C@H](C(=O)NCc1ccccc1OC(F)F)N1C(=O)c2ccccc2C1=O 10114213 DRIDMLWYEYAWLU-QGZVFWFLSA-N 402.397 3.225 0 40 HGAB Cc1ccc(-n2ncc3c(=O)n(NC(=O)c4ccc(C(F)(F)F)cc4)cnc32)cc1 10251524 IZGOUDYNJBHTQP-UHFFFAOYSA-N 413.359 3.293 0 40 HGAB Cc1ccc(C(=O)Nc2ccccc2C(N)=O)cc1NS(=O)(=O)c1ccccc1 10313785 CJGQXSFKFWGRIQ-UHFFFAOYSA-N 409.467 3.147 0 40 HGAB CCNC(=O)NC(=O)[C@@H](C)Sc1nnc(-c2cc3c(s2)CC[C@H](CC)C3)n1C 10440257 LAASXCMYNPZPBS-NEPJUHHUSA-N 421.592 3.385 0 40 HGAB Cc1ccc(COC(=O)C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)cc1 11052735 RYTGODOXWYXSON-UHFFFAOYSA-N 419.407 3.411 0 40 HGAB CCCC(CCC)C(=O)NCCn1ncc2c(=O)n(Cc3ccccc3F)cnc21 12071515 LUSLUGHWJPKDNO-UHFFFAOYSA-N 413.497 3.113 0 40 HGAB Cn1ncc(Cl)c1[C@@H]1CCCCCN1S(=O)(=O)c1ccc2c(c1)OCCO2 12159784 FLKMTYCVGRWUQQ-HNNXBMFYSA-N 411.911 3.151 0 40 HGAB Cc1cc(C)n(CC(=O)N[C@H](Cc2ccsc2)c2nc(C)c(C)s2)c(=O)n1 12228279 USPVENACSDJENC-MRXNPFEDSA-N 402.545 3.095 0 40 HGAB C[C@H]1C[C@@H](C)CN(C(=O)CSc2nc3sc4c(c3c(=O)n2C)CCCC4)C1 12595976 XENMPQYIRCWZAU-BETUJISGSA-N 405.589 3.470 0 40 HGAB CCNC(=O)CN(c1ccccc1OC)S(=O)(=O)c1cc(Cl)ccc1Cl 12752302 QTDDLIUCWIMGOD-UHFFFAOYSA-N 417.314 3.333 0 40 HGAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)C(=O)c1ccc(OC(F)F)cc1 12810262 CDQJHZBVHVEFOK-CYBMUJFWSA-N 417.412 3.124 0 40 HGAB COc1cccc(CC(=O)NCCc2cc(OC)c(OC)cc2Br)c1 12854956 NWZRXGMOIYTIHH-UHFFFAOYSA-N 408.292 3.376 0 40 HGAB COc1ccc(Br)cc1CN(C)CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O 13095621 WHYBCYNUGPACJO-DJJJIMSYSA-N 424.339 3.348 0 40 HGAB Cc1ccc(NC(=O)CNS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)c(O)c1 14121329 YXIHXYYTAALUDG-UHFFFAOYSA-N 422.812 3.290 0 40 HGAB O=C(COc1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1ccc(F)cc1F 16429049 HKMIACZIPQBQKH-UHFFFAOYSA-N 410.442 3.157 0 40 HGAB O=C(CCn1cnc2sc3c(c2c1=O)CCCC3)Oc1ccc(-c2nnco2)cc1 17642505 WWUNXFSAMNHDKK-UHFFFAOYSA-N 422.466 3.383 0 40 HGAB CC(C)OC(=O)C[C@H](NS(=O)(=O)c1cccc2nsnc12)c1ccccc1 19080203 SXKHPOKHHZYOQV-HNNXBMFYSA-N 405.501 3.053 0 40 HGAB Cc1cc(-c2cc(O)nnc2C2CCN(C(=O)c3cc(F)ccc3F)CC2)on1 19121208 JEBHGNRRSSITKS-UHFFFAOYSA-N 400.385 3.444 0 40 HGAB Cc1cc2nc(C[C@H](NC(=O)c3ccncc3C)c3ccc(F)cc3)cc(O)n2n1 19129898 WPNFGUYJHWJZKG-IBGZPJMESA-N 405.433 3.300 0 40 HGAB CCc1cc(C(F)(F)F)n2ncc(C(=O)Nc3ccc4c(c3)NC(=O)[C@@H](C)O4)c2n1 19522189 GHBQNBUHILSFGK-SECBINFHSA-N 419.363 3.282 0 40 HGAB CCS(=O)(=O)N(CC(=O)N[C@@H](C)c1ccc(C)cc1C)c1ccc2c(c1)OCO2 20461383 NIHUJVWQXKHJNE-INIZCTEOSA-N 418.515 3.066 0 40 HGAB CS(=O)(=O)N1C[C@H](C(=O)NC2CCCCCCC2)Oc2ccc(Cl)cc21 20492551 LNOYEEXEIMMIJQ-QGZVFWFLSA-N 400.928 3.096 0 40 HGAB COc1ccc(S(=O)(=O)N[C@H](C)c2cc(C)ccc2C)cc1N1CCCC1=O 20494173 HVQLGTIMTCTDIY-MRXNPFEDSA-N 402.516 3.478 0 40 HGAB O=C(CCc1csc(NC(=O)c2ccc[nH]c2=O)n1)Nc1ccc(F)c(Cl)c1 21689859 JBDWTNSTNYHGRD-UHFFFAOYSA-N 420.853 3.448 0 40 HGAB Cc1ccc(CCC(=O)Nc2ccc(NC(=O)CN3CCOCC3)cc2)cc1Cl 22955397 SZCDNHPBVDKJRX-UHFFFAOYSA-N 415.921 3.490 0 40 HGAB COc1cc2[nH]c3c(=O)n(CC(=O)Nc4cccc(SC)c4)cnc3c2cc1OC 23125975 IDTYNZFEWSRAIM-UHFFFAOYSA-N 424.482 3.256 0 40 HGAB Cc1ccc([C@H](OC[C@@H](O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)c2ccccc2)cc1 24095458 PROMCBIJMAITKX-MYDTUXCISA-N 405.494 3.413 0 40 HGAB Cc1cccc(-n2c(S[C@H](C)C(=O)N3CCNC3=O)nc3ccccc3c2=O)c1C 24223692 OCFZNPVTTYXNFM-OAHLLOKOSA-N 422.510 3.035 0 40 HGAB CSc1ccc(S(=O)(=O)NCc2cccnc2)cc1C(=O)N1CCC(C)CC1 26118655 HKKKHWCKVWVHHS-UHFFFAOYSA-N 419.572 3.154 0 40 HGAB C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)c1cccs1 26246665 ARLQNWMFADXOMI-CYBMUJFWSA-N 413.952 3.179 0 40 HGAB CCS(=O)(=O)c1ncc(Br)c(C(=O)Nc2cccc3ccccc23)n1 27745128 XPEHUZVAWMLRGX-UHFFFAOYSA-N 420.288 3.438 0 40 HGAB COc1ccc([C@@H](C)NC(=O)c2ccc(NS(C)(=O)=O)cc2Cl)cc1OC 30852056 QLKFXXLDZRRVKR-LLVKDONJSA-N 412.895 3.220 0 40 HGAB CC1=C[C@@H](CNC(=O)c2ccccc2)[C@H](C(C)C)C[C@H]1CC(=O)N1CCN(C)CC1 30880834 SAYALHQMYTYGMY-VABKMULXSA-N 411.590 3.435 0 40 HGAB biogenic,in-vitro COCCN1C(=O)c2ccccc2[C@H](C(=O)NC[C@H](O)c2ccccc2)C12CCCC2 32087827 LQJIFALMZVEHTA-FCHUYYIVSA-N 422.525 3.035 0 40 HGAB O=C(NCc1ccc(COCC(F)(F)F)cc1)[C@@H]1CCCN(c2cnccn2)C1 32778318 WOPKWZNQEUDZMF-QGZVFWFLSA-N 408.424 3.088 0 40 HGAB COc1cc2ncn(CCCC(=O)NC[C@@H](C)c3ccccc3)c(=O)c2cc1OC 32845713 LKKPEOIAKRJGGX-MRXNPFEDSA-N 409.486 3.114 0 40 HGAB O=C(Nc1ccccc1C(=O)NC[C@@H]1CCCO1)c1ccc(OCC(F)(F)F)nc1 32885649 DZBHZABABFLAHO-AWEZNQCLSA-N 423.391 3.184 0 40 HGAB CC[C@H](c1nnnn1C[C@H]1CCCO1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 35291357 FCIIEWZFPQAIIV-QZTJIDSGSA-N 424.471 3.144 0 40 HGAB Cc1occc1C(=O)Nc1cc(NC(=O)c2cccnc2-n2cncn2)ccc1F 40109019 MQLXIDHUXJQXED-UHFFFAOYSA-N 406.377 3.207 0 40 HGAB COc1ccc(/C=C/C(=O)N2C(=O)[C@H]3CCCCN3C(=O)c3ccccc32)cc1OC 40386386 MMZUNUZNTXFWPR-XSSIKURBSA-N 420.465 3.285 0 40 HGAB C[C@@H](CNC(=O)Nc1nnc(-c2ccccn2)s1)N1CCc2sccc2C1 47791014 CVVQZKTUYHICCC-LBPRGKRZSA-N 400.533 3.230 0 40 HGAB CCCCCn1c(=O)c2ccccc2n(CC(=O)Nc2cc(F)ccc2F)c1=O 51357732 PCPOSLUBNOEGJI-UHFFFAOYSA-N 401.413 3.270 0 40 HGAB O=C(/C=C/c1ccccc1OC(F)F)NCCC(=O)N1CCc2sccc2C1 52022810 LKPXIRVLSVWCQD-AATRIKPKSA-N 406.454 3.454 0 40 HGAB O=C(O[C@@H](C(=O)N1CCOCC1)c1ccccc1)c1ccc(OC(F)(F)F)cc1 58316043 XZRQQSVSBJLUGB-QGZVFWFLSA-N 409.360 3.342 0 40 HGAB CCn1c([C@H]2CCCN2C(=O)CCNC(=O)OCC(F)(F)F)nc2ccccc21 60353016 HNQNPPLLTFNPHS-OAHLLOKOSA-N 412.412 3.398 0 40 HGAB COC(=O)c1sc2cccc(F)c2c1COC(=O)c1cc2c([nH]c1=O)CCC2 61449544 NFOZXVVSDMALKC-UHFFFAOYSA-N 401.415 3.361 0 40 HGAB O=C(Cc1ccc(F)cc1)N1CCN(c2ccccc2)C[C@@H](Cc2cnccn2)C1 72353559 CFOVHUQZKHURSB-HXUWFJFHSA-N 404.489 3.366 0 40 HGAB COc1cc(OC)cc(C(=O)Nc2ccc(Br)cc2S(C)(=O)=O)c1 89423910 JVNFIJNLZRRZQE-UHFFFAOYSA-N 414.277 3.122 0 40 HGAB CCCn1/c(=N/C(=O)CS(=O)(=O)c2ccccc2)sc2ccc(OC)cc21 101061454 QBIXVYTZZPFILA-VXPUYCOJSA-N 404.513 3.023 0 40 HGAB C[C@@H](C(=O)N1[C@@H](C)CCC[C@H]1C)N1CCN(CC(=O)Nc2ccccc2Cl)CC1 104105026 VYYSZMUBFPPVGD-KSZLIROESA-N 420.985 3.074 0 40 HGAB Cc1ccc(Cl)cc1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 107075685 NMYVMECKWTYXHJ-CYBMUJFWSA-N 404.825 3.322 0 40 HGAB CCCOc1ccc2[nH]c(C(=O)N[C@H](C(=O)OC)c3ccc(O)c(OC)c3)cc2c1 199416825 NLSDWZPJMUOGPL-FQEVSTJZSA-N 412.442 3.315 0 40 HGAB O=C(CN1C(=O)S/C(=C/c2cc(Cl)cc(Cl)c2O)C1=O)N1CCCC1 205908414 XGXGKGSFFDWRMY-WUXMJOGZSA-N 401.271 3.358 0 40 HGAB CC[C@@H](C(=O)NCCCc1ccc(OC)cc1)N(c1ccccc1F)S(C)(=O)=O 220601588 XLTYXIWIMBVOBM-IBGZPJMESA-N 422.522 3.128 0 40 HGAB CCC(=O)N(Cc1ccc(F)cc1)[C@@H](C)C(=O)NCCc1ccc(OC)c(OC)c1 222903683 RPBXGRRJYKXYDS-INIZCTEOSA-N 416.493 3.329 0 40 HGAB COc1ccc(C(=O)Nc2ccc3sncc3c2)cc1S(=O)(=O)N1CCCC1 222904488 NINLXXFEAKGDHE-UHFFFAOYSA-N 417.512 3.342 0 40 HGAB CCCC(=O)N(Cc1ccc(OC)cc1)[C@@H](C)C(=O)NCc1ccc2c(c1)OCO2 222982114 XROKZBFYJVABLD-INIZCTEOSA-N 412.486 3.258 0 40 HGAB Cc1ccc(C)c(N(CC(=O)NC(C)(C)Cc2ccccc2)S(=O)(=O)N(C)C)c1 224052944 CXRCZMLRHQXICK-UHFFFAOYSA-N 417.575 3.054 0 40 HGAB CCc1ccc([C@@H](C)NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)N(C)C)cc1 224831045 FLLNWSXSPQWZPC-GOSISDBHSA-N 417.575 3.356 0 40 HGAB CC(C)n1c(=O)sc2cc(NC(=O)c3cccc(N(C)S(C)(=O)=O)c3)ccc21 225174348 NTTMLSJYLFGKTP-UHFFFAOYSA-N 419.528 3.292 0 40 HGAB CNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)Cc1ccc(F)cc1 225469490 AATZGSLJDXGKCT-CYBMUJFWSA-N 407.283 3.294 0 40 HGAB O=C(Cc1cccc(Br)c1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 225614348 JNBUWCUGHFQHJK-UHFFFAOYSA-N 417.303 3.065 0 40 HGAB O=C(c1cccc(OC(F)(F)F)c1)N1CC(n2cc(COc3ccccc3)nn2)C1 225628141 PDXVCGBVEMVNHX-UHFFFAOYSA-N 418.375 3.453 0 40 HGAB CCc1ncnc(O[C@@H]2CCN(C(=O)CSc3nc4ccccc4o3)C2)c1F 244909705 ASETWXVZNHKDLN-GFCCVEGCSA-N 402.451 3.091 0 40 HGAB C[C@H](CCc1ccccc1)NC(=O)CCC(=O)N[C@H](C)[C@H]1COc2ccccc2O1 252445446 FOHPXYVEEPNWQT-JBYIUTFZSA-N 410.514 3.249 0 40 HGAB CNc1cc(C(=O)N2CCO[C@H](c3cccc(Cc4ccccc4F)n3)C2)ccn1 257202686 AMWMRUZSWFJDJG-NRFANRHFSA-N 406.461 3.462 0 40 HGAB O=C(c1c[nH]nc1[C@H]1CCCCN1S(=O)(=O)c1ccccc1)N1CCCCCC1 257207929 BJXXXQRUMKLYNB-LJQANCHMSA-N 416.547 3.342 0 40 HGAB CC1(C(=O)N2CCC[C@H](c3cnccn3)C2)CCN(C(=O)Cc2ccccc2F)CC1 257266534 MDKBYCUZTXLENE-IBGZPJMESA-N 424.520 3.193 0 40 HGAB COc1cccc(N(CCCC(=O)N2c3ccccc3C[C@H]2C)S(C)(=O)=O)c1 260815229 UNAYWDQGOOPEHC-MRXNPFEDSA-N 402.516 3.219 0 40 HGAB Cc1cccc(CN2CCC[C@@]3(CN(CC4=CCCOC4)CC(F)(F)C3)C2=O)n1 306126807 FFTYQGWWLULHAY-OAQYLSRUSA-N 405.489 3.187 0 40 HGAB CN1CC[C@H](COCc2ccncc2)CC12CN(C(=O)c1cc3c(s1)CCC3)C2 306134531 NQIBHQPYGUDTCN-SFHVURJKSA-N 411.571 3.385 0 40 HGAB COCCN1CC[C@]2(CN(Cc3cccc(C)c3)C[C@@H]2c2cn(C(C)C)cn2)C1=O 306134939 OBXYVHMFRUGUEZ-ZJSXRUAMSA-N 410.562 3.237 0 40 HGAB COc1cccc(C(=S)NCCN2CCOCC2)c1OCc1ccc(F)cc1 408571921 DHPOAJHLNRLUFB-UHFFFAOYSA-N 404.507 3.011 0 40 HGAB COC(=O)c1ccccc1NS(=O)(=O)c1ccc(NC(=O)NCC(C)C)cc1 408584403 PJYCOXGCDKSHSN-UHFFFAOYSA-N 405.476 3.052 0 40 HGAB COc1ccc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccccc2)cc1 408612785 YTJTZOPIDNTECC-NRFANRHFSA-N 410.495 3.224 0 40 HGAB O=C(NC1CCCC1)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 408614716 GSNYDADHOQFOKE-OAHLLOKOSA-N 409.461 3.490 0 40 HGAB CCCCOC(=O)CN1C(=O)S/C(=C/c2ccc(OC(C)=O)c(OCC)c2)C1=O 409208046 AKJNMAYHHIKPFJ-GZTJUZNOSA-N 421.471 3.390 0 40 HGAB Cc1cc(S(=O)(=O)N2CCC[C@@H](Oc3ncc(F)cn3)C2)c(Cl)cc1Cl 575611605 DOAQOPOXOCOOIW-GFCCVEGCSA-N 420.293 3.463 0 40 HGAB CCC[C@@H](C)N1C[C@H]2C(=O)NC3(CCN(C(=O)Cc4ccccc4Cl)CC3)[C@H]2C1 585106341 XPEWNPHHBSSJNT-QRQLOZEOSA-N 417.981 3.110 0 40 HGAB O=C(C1CCOCC1)N1CCC[C@@H](c2ccc(-c3noc(C(F)(F)F)n3)cn2)C1 585290724 VLKPNQHWNZIVAU-CQSZACIVSA-N 410.396 3.283 0 40 HGAB O=C(CSc1ccc(F)cc1)N1CC[C@H](c2ccccc2F)S(=O)(=O)CC1 585394745 DLIAEGYKJWXLKY-GOSISDBHSA-N 411.495 3.445 0 40 HGAB O=S1(=O)CCC(CN2CCC(COc3cccc(C(F)(F)F)n3)CC2)CC1 585533887 JXEBAKVKGSROAM-UHFFFAOYSA-N 406.470 3.016 0 40 HGAB COc1cccc(NC(=O)NCc2noc([C@@H]3CCC(=O)N3Cc3ccccc3)n2)c1 1775963957 LOTPGCYMALGBHN-SFHVURJKSA-N 421.457 3.264 0 40 HGAB biogenic,in-vitro FC(F)(F)c1cccnc1N1C[C@H]2CN(c3ncc(Br)cn3)C[C@H]2C1 1888866908 WSWKVIDZKYWGIO-PHIMTYICSA-N 414.229 3.226 0 40 HGAB CN1CCC(Cc2cnc(CNC(=O)c3conc3-c3ccc(F)cc3)cn2)CC1 2037850031 ITDZKOSYXLOAII-UHFFFAOYSA-N 409.465 3.085 0 40 HGAB Cc1cc2cc3c(cc2n2c(SCC(=O)N4CCCCCC4)nnc12)OCCO3 877390 DZGFEUQRBVDXAG-UHFFFAOYSA-N 412.515 3.457 0 40 HGAB CC(C)(C)c1ccc(C(=O)NC(=S)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)cc1 2087613 NOPQEASANCFPLL-DOTOQJQBSA-N 409.555 3.280 0 40 HGAB biogenic COc1ccc(CCN2CC(=O)N3[C@@H](Cc4c([nH]c5ccccc45)[C@@H]3C)C2=O)cc1 2104447 KVCCNNCLZWCFAX-BTYIYWSLSA-N 403.482 3.076 0 40 HGAB biogenic CCCNC(=O)c1c(N)n(-c2ccc(OC)cc2OC)c2nc3ccccc3nc12 2395599 YWVCAVQRJUBOBT-UHFFFAOYSA-N 405.458 3.313 0 40 HGAB COc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCN(C)C)c1OC 2419917 HSTJUTBDQNQWLE-HXUWFJFHSA-N 422.481 3.307 0 40 HGAB O=C(Nc1nnc(C2CC2)o1)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 2456991 HIJRXVCKOPPSKV-UHFFFAOYSA-N 424.482 3.341 0 40 HGAB C[C@H](C(=O)N1CCc2ccccc2C1)N1C(=O)N[C@](C)(c2ccccc2Cl)C1=O 2646142 QJNSWAYJJGGKEZ-JLCFBVMHSA-N 411.889 3.080 0 40 HGAB O[C@@H]1C(c2ccccc2OCc2ccccc2)=NN[C@H]1c1ccc2c(c1)OCCO2 4338156 QWROANHOKQANMU-UPVQGACJSA-N 402.450 3.446 0 40 HGAB COc1ccc(-c2csc(NC(=O)CS(=O)(=O)c3ccc(F)cc3)n2)cc1 4496407 MCJINZMBFFJIKN-UHFFFAOYSA-N 406.460 3.370 0 40 HGAB COc1ccc(OC)c(S(=O)(=O)N2CCn3cccc3[C@H]2c2ccccc2F)c1 4853849 PSZNLYLPJUPBOZ-OAQYLSRUSA-N 416.474 3.438 0 40 HGAB COc1ccc([C@@H]2C(C(=O)OCCOC(C)C)=C(C)Nc3ncnn32)cc1Cl 4987202 LAVWGJKOMDLTDF-QGZVFWFLSA-N 406.870 3.197 0 40 HGAB CS(=O)(=O)N1CCCc2ccc(NC(=O)c3ccc(Br)cc3)cc21 5136753 ISPUUPVBOHRBSM-UHFFFAOYSA-N 409.305 3.414 0 40 HGAB C[C@H](OC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)C(=O)Nc1ccc2ccccc2c1 5239886 ZMQYETYYAGOBNK-YJBOKZPZSA-N 406.438 3.352 0 40 HGAB Cc1ccc(NC(=O)NC(=O)CSc2nnc(Cc3csc(C)n3)o2)c(C)c1 5832341 CGUNULZQVTZSEL-UHFFFAOYSA-N 417.516 3.483 0 40 HGAB CC(=O)c1cccc(NC(=O)CNS(=O)(=O)c2cc(Cl)ccc2Cl)c1 6297505 SKKSNQVGLDYYEG-UHFFFAOYSA-N 401.271 3.113 0 40 HGAB O=C(Nc1nnc(S(=O)(=O)N2CCCCCC2)s1)C12CC3CC(CC(C3)C1)C2 6780084 WYMJRCDTNDDKSF-UHFFFAOYSA-N 424.592 3.258 0 40 HGAB CN(Cc1ccsc1)C(=O)CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O 7320171 JGTCCMOVEXHFOM-UHFFFAOYSA-N 419.506 3.202 0 40 HGAB CCOc1ccc(CCNC(=O)COC(=O)C2(c3ccccc3)CC2)cc1OCC 7489489 JBCLFLHUQMQRTM-UHFFFAOYSA-N 411.498 3.418 0 40 HGAB COC(=O)c1sccc1NS(=O)(=O)c1cc(Br)ccc1OC 7709014 PEXVSZJCPMSDKI-UHFFFAOYSA-N 406.279 3.107 0 40 HGAB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)NCc3ccccc3F)cc2)C1 7755272 YNBIILHLZBJKGU-HZPDHXFCSA-N 404.507 3.422 0 40 HGAB O=C(CN1CCC[C@@H]1c1cccs1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 8036344 MYDVYHQJMUZEIZ-GOSISDBHSA-N 419.572 3.308 0 40 HGAB O=C(N[C@H]1CCCc2ccccc21)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 8077907 BJSMMTZNLNMROV-UWJYYQICSA-N 416.518 3.420 0 40 HGAB Cc1cccc(OCC(=O)OCc2cc(=O)n3nc(-c4cccs4)sc3n2)c1 8605622 RJCDGHWOWTVLFX-UHFFFAOYSA-N 413.480 3.310 0 40 HGAB O=C(NN1C(=O)[C@@H]2[C@@H](c3ccccc3)C=C[C@H](c3ccccc3)[C@H]2C1=O)c1ccncc1 8721019 VGQINDZVVIKUPU-SSGKUCQKSA-N 423.472 3.465 0 40 HGAB CCc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2[C@H]2CCS(=O)(=O)C2)cc1 8917067 RKDUWBXRFDRQCQ-OXJNMPFZSA-N 423.490 3.088 0 40 HGAB COc1ccc(NC(=O)C2=C(C)Nc3nc(SC)nn3[C@@H]2c2cccnc2)cc1 8997532 LZPXGGDFTWMFBY-QGZVFWFLSA-N 408.487 3.331 0 40 HGAB O=C(Nc1nc(-c2ccncc2)cs1)[C@H]1CCCN1S(=O)(=O)c1cccs1 10186996 YVBJPNBEEPJBEY-CQSZACIVSA-N 420.541 3.058 0 40 HGAB Cc1cc(S(=O)(=O)NCc2ccccc2Cn2cccn2)ccc1Br 10959210 NEOHRBQNLUSRHQ-UHFFFAOYSA-N 420.332 3.481 0 40 HGAB CCOc1ccc([C@H](C)NC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)cc1 10978345 BOAPQVSCEYDQTN-HNNXBMFYSA-N 402.516 3.289 0 40 HGAB COc1ccc(-c2oc3ccccc3c(=O)c2OCC(=O)NC[C@H]2CCCO2)cc1 11990555 OSQGUHUMMJUZNT-QGZVFWFLSA-N 409.438 3.143 0 40 HGAB Cc1cc(-c2cnc(C)nc2[C@H]2CCCN(CC(=O)NCc3cccs3)C2)on1 12118476 FSTOFOSZYIPBKF-INIZCTEOSA-N 411.531 3.306 0 40 HGAB Cc1nccn1[C@H](C)CC(=O)N1CCC[C@@H](c2nc3ccc(F)cc3cc2C(N)=O)C1 12221633 LXAHGAHMBAAJOG-GDBMZVCRSA-N 423.492 3.335 0 40 HGAB CCOC(=O)[C@H]1CCCN(Cc2nc(-c3ccc(-c4ccnc(C)n4)cc3)no2)C1 12275269 OHZNVVSSKMEGRK-SFHVURJKSA-N 407.474 3.277 0 40 HGAB CC(=O)[C@@H]1[C@@H](c2ccc(OCc3ccccc3)cc2)NC(=O)N[C@@]1(O)C(F)(F)F 12377564 CVDMCJKLBADQIE-LMMKCTJWSA-N 408.376 3.076 0 40 HGAB CN(CCc1ccccn1)c1nc(CN2CCOCC2)nc2sc3c(c12)CCCC3 12516931 RXDOHSBOPVMTIH-UHFFFAOYSA-N 423.586 3.476 0 40 HGAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccccc1N1CCN(C)CC1 12558012 KIRNFSIJKGYXLQ-QHCPKHFHSA-N 404.514 3.341 0 40 HGAB O=C(Nc1ncn[nH]1)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 12727322 KKALNLMXTMFBQI-UHFFFAOYSA-N 412.258 3.165 0 40 HGAB CCCCn1c(S[C@H](C)C(=O)N2CCC(Cc3ccccc3)CC2)n[nH]c1=O 13009975 QLMXKCWZAPJOBY-MRXNPFEDSA-N 402.564 3.333 0 40 HGAB CCN(CC(=O)Nc1cc(C)ccc1OC)Cc1nc2cc(Cl)ccc2c(=O)[nH]1 13072150 RPNUXHKFRLQPEI-UHFFFAOYSA-N 414.893 3.354 0 40 HGAB C[C@@H](Sc1nc2cc(Cl)ccc2c(=O)n1CCC(=O)O)C(=O)NC1CCCC1 13176980 ONTHAYDDNXSGQM-LLVKDONJSA-N 423.922 3.064 0 40 HGAB O=C(CCS(=O)(=O)c1ccc(Cl)cc1)Nc1nnc(Cc2cccs2)o1 13653504 FMIVNHLBCBZNHA-UHFFFAOYSA-N 411.892 3.178 0 40 HGAB O=S(=O)(NCc1nc(-c2ccc(OC(F)(F)F)cc2)no1)c1ccc(F)cc1 13689372 VEQLISXHXXCISX-UHFFFAOYSA-N 417.340 3.253 0 40 HGAB O=C(c1ccc(-c2ccccc2F)o1)N1CCN(S(=O)(=O)c2cccs2)CC1 14184775 PVRUCQQQPGXJRU-UHFFFAOYSA-N 420.487 3.294 0 40 HGAB O=S(=O)(c1ccc(Br)cc1)N1CCC[C@@H]1c1nnc2ccccn12 14188500 JFKNWVAPHCKIEP-CQSZACIVSA-N 407.293 3.018 0 40 HGAB C[C@@H]1C[C@H]1C(=O)N(CCC1=CCCCC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 14697662 YQDBXARTZOVDJF-VQIMIIECSA-N 422.529 3.047 0 40 HGAB Cc1c(Cl)cccc1N1C(=O)[C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 16000138 QYKFPSKFNDXJHN-YWNPBTLJSA-N 421.884 3.080 0 40 HGAB Cc1ccc(C(=O)O[C@H](C)C(=O)N2CC(=O)Nc3cc(C(F)(F)F)ccc32)c(O)c1 16791385 WJTCUUKPWPMZAU-LLVKDONJSA-N 422.359 3.250 0 40 HGAB COc1ccc(Cl)cc1NC(=O)CCc1c(C)nn(-c2nc(C)cc(=O)[nH]2)c1C 16849699 GLSRLTPZRBUSQP-UHFFFAOYSA-N 415.881 3.114 0 40 HGAB COc1ccc(Nc2nc(N3CCN(C)CC3)nc3c2cnn3-c2ccccc2)cc1 16916066 IQVWDUWMSBQBMS-UHFFFAOYSA-N 415.501 3.320 0 40 HGAB CCN1CCN(c2ccc(NC(=S)NC(=O)/C=C/c3ccc(OC)cc3)cc2)CC1 17094084 QBJDPOZXKVQPFT-AWNIVKPZSA-N 424.570 3.364 0 40 HGAB COC[C@@H](C)N(Cc1cccc(C)c1)S(=O)(=O)c1c(C)nn(C(F)F)c1C 19234924 RIENMPAACRMLPQ-CYBMUJFWSA-N 401.479 3.429 0 40 HGAB CCc1cc(C(F)(F)F)n2nc([C@@H]3CCCN3C(=O)CCn3cccn3)cc2n1 19522275 ZIOKQDZCQHIHFI-HNNXBMFYSA-N 406.412 3.261 0 40 HGAB CCOc1ccc2c(c1)c(C(=O)N[C@H]1CC(=O)N(c3ccc(OC)cc3)C1)c(C)n2C 19661894 WOQFCPRGJVALID-INIZCTEOSA-N 421.497 3.429 0 40 HGAB CC(=O)N1CCc2nc(C3CCN(C)CC3)nc(NCCc3cccc(C)c3)c2C1 19710448 SFYBNWUTOKHBSO-UHFFFAOYSA-N 407.562 3.153 0 40 HGAB Cc1nc(C2CCN(Cc3cnn(C)c3)CC2)ncc1C(=O)Nc1ccc(F)cc1 19763885 CCIPRPWHSOYXPG-UHFFFAOYSA-N 408.481 3.290 0 40 HGAB CCOC(=O)c1cc(NC(=O)[C@@H](C)N(c2ccccc2)S(C)(=O)=O)ccc1Cl 20038610 HLSUZXACPIULOA-CYBMUJFWSA-N 424.906 3.310 0 40 HGAB CCN(c1cc(OC)c(OC)cc1C(=O)Nc1cccc(C)c1C)S(C)(=O)=O 22251864 BHTJYSUINFGPSG-UHFFFAOYSA-N 406.504 3.359 0 40 HGAB O=C([C@@H]1Cc2ccccc2O1)N1CCN(Cc2csc(-c3ccccc3)n2)CC1 22605820 HKOWPOHMRPTMIW-NRFANRHFSA-N 405.523 3.458 0 40 HGAB Cc1ccc2nc(N(CCCN3CCOCC3)C(=O)c3cc(C)on3)sc2c1 22768253 SDXUMUSNMPAFQC-UHFFFAOYSA-N 400.504 3.270 0 40 HGAB COc1cc(C(=O)NCC2CCN(Cc3cccs3)CC2)cc(OC)c1OC 23128043 HPJVKLMRPMTRAT-UHFFFAOYSA-N 404.532 3.416 0 40 HGAB Cc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N[C@@H](C)[C@@H]3CCCO3)c2)cc1 27913257 RQZJFQZEZJOUIN-JXFKEZNVSA-N 402.516 3.402 0 40 HGAB CCOc1ccc(N2C[C@H](C(=O)N[C@H](c3ccccc3)c3nccn3C)CC2=O)cc1 29070913 IFQJYQVFCGKHEF-XMSQKQJNSA-N 418.497 3.078 0 40 HGAB C[C@@H]1CN(C(=O)c2cnn(-c3ccc(C(F)(F)F)cn3)c2C(F)(F)F)CCO1 30975115 AAUURKLVXSIVHO-SECBINFHSA-N 408.302 3.166 0 40 HGAB CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)[C@@H](C)Oc1ccccc1Cl 32796484 PDPUMIZEGBSFDV-CQSZACIVSA-N 418.877 3.366 0 40 HGAB Cc1ccc(OCc2nnc(SCC(=O)Nc3cccc(C(=O)O)c3)n2C)cc1 33856736 SIGQSNRHIJCFTB-UHFFFAOYSA-N 412.471 3.132 0 40 HGAB CCc1nnc2c(SCC(=O)Nc3ccc4c(c3)OCO4)nc3ccccc3n12 35426725 YNIZBRJJHBTDMA-UHFFFAOYSA-N 407.455 3.299 0 40 HGAB CN(C)C[C@@H](CNC(=O)Nc1cccc(N2CCCCC2=O)c1)[C@@H](O)c1ccccc1 40104956 GWZYOBTUZIUZIP-XXBNENTESA-N 424.545 3.236 0 40 HGAB O=C(Cn1cccn1)Nc1cccc(CNC(=O)c2ccccc2C(F)(F)F)c1 40157593 KRDUSIRMDRYDSW-UHFFFAOYSA-N 402.376 3.471 0 40 HGAB Cc1cc(C)cc(NC(=O)[C@H]2CC(=O)Nc3nc(Nc4ccc(F)cc4)[nH]c(=O)c32)c1 40399621 DELLEZCTXOWFCX-INIZCTEOSA-N 421.432 3.334 0 40 HGAB CCCCc1noc(CN2CCc3cc(OC)c(OC)cc3[C@H]2CC(=O)OC)n1 42624540 GESHEVYDNLCCHQ-MRXNPFEDSA-N 403.479 3.092 0 40 HGAB Cc1ccc(NC(=O)Cn2nc3ccc(-c4ccc(Cl)cc4)nn3c2=O)cc1F 49399231 ZSQGOIXUEZYWHL-UHFFFAOYSA-N 411.824 3.298 0 40 HGAB COc1ccc(NC(=O)c2cn(-c3cc(N4CCC(C)CC4)ncn3)cn2)c(OC)c1 49411230 AILQUAFDCXDHEA-UHFFFAOYSA-N 422.489 3.168 0 40 HGAB Cc1ccc(C)c(-n2c(=O)c3sccc3n(CC(=O)N3CCCC[C@H]3C)c2=O)c1 57492563 ZRGZXJLMJVVRMZ-MRXNPFEDSA-N 411.527 3.232 0 40 HGAB Cc1cc([C@@H](C)NC(=O)c2cccc(CN3CCS(=O)(=O)CC3)c2)c(C)s1 58151297 UIFAXALNYCTQIX-OAHLLOKOSA-N 406.573 3.086 0 40 HGAB C[C@H](CNC(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1)N(C)c1ccccc1 58342770 XNERCRGNSQIRJA-GOSISDBHSA-N 423.561 3.030 0 40 HGAB Nc1c(C(=O)OCc2ccc(S(=O)(=O)N3CCCC3)o2)ccc(Cl)c1Cl 61722892 XDFQIHPRJCFBRI-UHFFFAOYSA-N 419.286 3.310 0 40 HGAB O=C(COc1ccc2c(c1)CCC2)NCc1cn2cc(Br)ccc2n1 69433272 VBQITFNAHMLEKT-UHFFFAOYSA-N 400.276 3.281 0 40 HGAB Cc1ccc(NC(=O)CN2N=C(c3nc(-c4ccccc4)no3)CCC2=O)c(C)c1 71328269 IYCBZYPVBUIJDZ-UHFFFAOYSA-N 403.442 3.319 0 40 HGAB Cc1cccc(Nc2cncc([C@@H]3CCCN3S(=O)(=O)c3c(C)noc3C)n2)n1 72376389 YMWHSWWVROEQST-INIZCTEOSA-N 414.491 3.054 0 40 HGAB Cc1nonc1CC(=O)NC1CCN(CC2(c3ccc(Cl)cc3)CCC2)CC1 72393387 FBYCKDQPRTYJOC-UHFFFAOYSA-N 402.926 3.276 0 40 HGAB COc1ccc2[nH]cc(CCNC(=O)[C@H]3CCCN(c4ccc(Cl)nn4)C3)c2c1 79474999 DWHQMBIFMAPFNZ-HNNXBMFYSA-N 413.909 3.195 0 40 HGAB C[C@H](CNC(=O)C1=NO[C@]2(CCN(Cc3ccc4c(c3)OCO4)C2)C1)c1ccccc1 96225729 FDVNYAVAXFCJSU-MZNJEOGPSA-N 421.497 3.056 0 40 HGAB CCn1c(=O)[nH]c2cc(-c3nc(-c4ccc(Br)cc4)no3)ccc2c1=O 96320189 CETKWKRBSJNDJV-UHFFFAOYSA-N 413.231 3.189 0 40 HGAB CCS(=O)(=O)C(Br)(Br)[C@H](O)c1cccc(Cl)c1 96520869 FCIJUIZKECUAQN-SECBINFHSA-N 406.523 3.252 0 40 HGAB COc1ccc(C)cc1/C=C/C(=O)NCCN1C(=O)S/C(=C/c2cccnc2)C1=O 97997373 BXJQAHPJZWILFB-SRQUHQSVSA-N 423.494 3.265 0 40 HGAB O=C(CCN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)Nc1cccc(CN2CCCCCC2)c1 100731540 VNVMJWLGCIENLM-DHNNRRLOSA-N 423.557 3.422 0 40 HGAB O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)Oc1ccc(Br)cc1Cl 103046980 OALYRCXUENGDAR-QWRGUYRKSA-N 400.656 3.183 0 40 HGAB CCn1c(S)nc2cc(C(=O)NCc3ccc(Br)s3)ccc2c1=O 103073288 ZLTYHWOEMVRFLP-UHFFFAOYSA-N 424.345 3.459 0 40 HGAB COC[C@@H](C)Nc1ccc(C(=O)OC)cc1S(=O)(=O)Nc1ccc(Cl)cc1 223417007 YIVKCKNFZYWDFC-GFCCVEGCSA-N 412.895 3.374 0 40 HGAB O=C(NCCCSCc1ccco1)c1ccc(N2CCCCS2(=O)=O)cc1 224381982 VPRTYIUCBSTRGC-UHFFFAOYSA-N 408.545 3.263 0 40 HGAB CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N[C@@H](C)c1ccc(OC)cc1 224813723 KUQWVKADOIWXEF-YWZLYKJASA-N 420.531 3.126 0 40 HGAB O=C(c1cc(-c2ccccc2)on1)N1CCN(c2cc(C(F)(F)F)ncn2)CC1 225728287 LDZWMAXRQUEDSX-UHFFFAOYSA-N 403.364 3.113 0 40 HGAB C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@H]2CC[C@]2(C)[C@H](NC(=O)CN3CCOCC3)CC[C@H]12 253499254 DMLFUNWWXDIAEI-OXPCUUNQSA-N 418.622 3.207 0 40 HGAB biogenic O=S(=O)(Nc1ccccc1Oc1cccnc1)c1ccc2nc(O)nc(O)c2c1 253537718 PZFJJOARAGZOOF-UHFFFAOYSA-N 410.411 3.029 0 40 HGAB Cc1cc2nccc([C@H]3CC[C@H](CNC(=O)CN4Cc5ccccc5C4)CC3)n2n1 257335581 YKWFLWKWFPVGNO-WGSAOQKQSA-N 403.530 3.444 0 40 HGAB CC(=O)N(C)c1ncc(-c2nc(C(=O)NCc3ccccc3)c3ccccn23)s1 306142227 WUCZIKWQQNSYDJ-UHFFFAOYSA-N 405.483 3.371 0 40 HGAB CCCCNS(=O)(=O)c1ccc(OCC(=O)NCc2ccc(Cl)cc2)cc1 408531135 MFEGLGLMNIJODJ-UHFFFAOYSA-N 410.923 3.114 0 40 HGAB CNC(=O)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccc(OC)cc1 408782877 KYUZBYYEDKGERR-UHFFFAOYSA-N 410.495 3.450 0 40 HGAB Cc1ccc(NC(=O)CSc2nnc(CNC(=O)c3ccccc3C)n2C)cc1 409055749 PQTSTVSPOUAGQB-UHFFFAOYSA-N 409.515 3.093 0 40 HGAB CCOCCCNC(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccccc1 409117121 NLZBYUKULQOHBK-UHFFFAOYSA-N 404.532 3.042 0 40 HGAB CCOc1ccc(/C=C2\SC(=O)N(CC(=O)NCC(C)C)C2=O)c(OCC)c1 409198942 ALGVRNJTVDPLEQ-MFOYZWKCSA-N 406.504 3.293 0 40 HGAB O=C(CN1C(=O)S/C(=C\c2ccc(Cl)cc2Cl)C1=O)NC[C@@H]1CCCO1 409217020 NFTDVPACEQJQQT-JVXNRYDGSA-N 415.298 3.325 0 40 HGAB CCOC(=O)c1ccc(OC)c(S(=O)(=O)Nc2cc(C)nn2-c2ccccc2)c1 506862402 QDMPMPARBWGCKO-UHFFFAOYSA-N 415.471 3.167 0 40 HGAB CCn1cc(C(=O)NCc2nccnc2-c2ccsc2)c(=O)c2ccc(C)nc21 575619732 OZKQXDFZTUZKSU-UHFFFAOYSA-N 405.483 3.173 0 40 HGAB Cc1ccc2c(C)c(C(=O)N3C[C@H](CC(N)=O)[C@H](OC(=O)c4ccccc4)C3)oc2c1 643587219 YTYMLOPILAKNBU-FXAWDEMLSA-N 420.465 3.223 0 40 HGAB CN(Cc1c2c(nn1C)CCCC2)C1CN(c2ccc(-c3ccc(F)cc3)nn2)C1 1888906446 BUEZRZYWJCLHNV-UHFFFAOYSA-N 406.509 3.216 0 40 HGAB CC1=C(C(=O)Nc2cccnc2)[C@@H](c2ccc(Br)cc2)n2ncnc2N1 949731 JINMAMRBULGUKD-MRXNPFEDSA-N 411.263 3.363 0 40 HGAB CC[C@@H](C)OC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(Br)c(O)c(OC)c1 1060174 LHCZJURZWCADTN-XLKFXECMSA-N 413.268 3.133 0 40 HGAB COc1cc(CC[C@@H](O)C[C@H]2c3c(cc4c(c3OC)OCO4)CCN2C)ccc1O 2115175 YFGLNZHQZLOTLC-SJORKVTESA-N 415.486 3.051 0 40 HGAB biogenic O=C(COC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1ccco1)Nc1ccc(F)cc1 2653446 DDOJZXLVKWLIBI-LJQANCHMSA-N 422.412 3.168 0 40 HGAB Cc1sc2nc(SCC(=O)N3CCOCC3)n(-c3ccccc3)c(=O)c2c1C 3267377 DOZQXYFYCGSSAI-UHFFFAOYSA-N 415.540 3.015 0 40 HGAB COc1cc(C(=O)NCCc2cc3ccc(C)c(C)c3[nH]c2=O)cc(OC)c1OC 4032932 XDNYBXMFKRAHNR-UHFFFAOYSA-N 410.470 3.143 0 40 HGAB CCOc1cc([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2ccccc2F)ccc1O 4276379 WWYGMVBTAOSFEO-SFHVURJKSA-N 401.463 3.362 0 40 HGAB Cc1cccc(OCC(=O)N(Cc2ccc(F)cc2)[C@@H]2CCS(=O)(=O)C2)c1C 5180358 JKBZCPYPAOWCDE-LJQANCHMSA-N 405.491 3.037 0 40 HGAB COc1cccc(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2OC)c1 5558969 JCVSYWFXBGHWIT-UHFFFAOYSA-N 404.488 3.131 0 40 HGAB COc1cccc(OC)c1C(=O)OCCCOC(=O)c1c(OC)cccc1OC 6948090 SGZVKFAIUOOTSX-UHFFFAOYSA-N 404.415 3.125 0 40 HGAB COc1ccc(CN(C)C(=O)CN(c2ccc(Cl)cc2C)S(C)(=O)=O)cc1 7871813 FNOMFQVWQQCAPA-UHFFFAOYSA-N 410.923 3.082 0 40 HGAB C[C@H]1CCCC[C@H]1NC(=O)COC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1 8268744 SYPHOMRSOHBVLO-MGPUTAFESA-N 420.465 3.339 0 40 HGAB CCCOC(=O)c1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccccc2)cc1 8416047 KUMMAHZQDIRXOB-UHFFFAOYSA-N 412.442 3.154 0 40 HGAB CC(=O)c1cccc(NC(=O)COC(=O)CCCC(=O)Nc2ccc(F)cc2)c1 8417072 CHIDYSMXCSFJCB-UHFFFAOYSA-N 400.406 3.319 0 40 HGAB CCOc1ccc(OCCNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1 8519506 OVIBDOYUNCLRNF-UHFFFAOYSA-N 405.394 3.341 0 40 HGAB CC1(C)CC(NC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)CC(C)(C)N1 10812429 HVHLMZUIYBNKRT-UHFFFAOYSA-N 416.591 3.221 0 40 HGAB C[C@@H]1Oc2ccccc2N(CCC(=O)N(C)Cc2cnn(Cc3ccccc3)c2)C1=O 11084159 DFHGFGVJVPOBAQ-SFHVURJKSA-N 418.497 3.094 0 40 HGAB CC(C)N1C(=O)c2ccccc2N2C(=O)CC[C@@]21C(=O)OC[C@@H]1CC1(Cl)Cl 11447626 QZYMQOWVMNHHTO-BUXKBTBVSA-N 411.285 3.111 0 40 HGAB CCN(CC)C(=O)Cn1c([C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)nc2ccccc21 12062092 ZTWNADWBHNGGQC-QGZVFWFLSA-N 420.513 3.434 0 40 HGAB Cc1ccc(O[C@H](C)C(=O)N2CCC(c3noc(-c4cnc(C)cn4)n3)CC2)cc1 12187562 DDEJOZQKTHCJFZ-MRXNPFEDSA-N 407.474 3.317 0 40 HGAB CN(C)c1ccc(CC(=O)N2CCC(c3nc(O)cc(-c4ccccn4)n3)CC2)cc1 12222353 WCSGVTLMKOWHFJ-UHFFFAOYSA-N 417.513 3.259 0 40 HGAB NS(=O)(=O)c1cccc(S(=O)(=O)Nc2ccccc2Sc2ccccc2)c1 12525791 GGJJTXBMGSQQKI-UHFFFAOYSA-N 420.537 3.286 0 40 HGAB Cc1ccc(-c2noc(CN3CCN(C(=O)COc4ccccc4C)CC3)n2)cc1 12760225 UVSKLRGMXGFQJH-UHFFFAOYSA-N 406.486 3.077 0 40 HGAB CC(C)c1nnc(NC(=O)c2ccc(Cl)c(S(=O)(=O)NC3CC3)c2)s1 12764262 WSNDNMOSMAZTOQ-UHFFFAOYSA-N 400.913 3.008 0 40 HGAB COc1cc(C(=O)Nc2nc(-c3ccc4c(c3)CCC4)cs2)ccc1OCC(N)=O 12865404 YKZVNXNMVXXQOS-UHFFFAOYSA-N 423.494 3.424 0 40 HGAB Cc1ccc(-c2nnc(-c3ccc(C(=O)N4CCN(C(=O)C5CC5)CC4)cc3)o2)cc1 12972623 LJYBDZLEWPUOAT-UHFFFAOYSA-N 416.481 3.406 0 40 HGAB Cc1ccc(-n2nc(C)cc2NC(=O)CSc2nnc(C(F)(F)F)n2C)cc1 12999659 WHTRQHCBBGZLII-UHFFFAOYSA-N 410.425 3.367 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccccc3Cl)C2)s1 13012915 UNFIMGGGUQHIHV-OAHLLOKOSA-N 412.964 3.427 0 40 HGAB CN(CC(=O)N1CCN(c2ccccc2)CC1)Cc1ccccc1N1CCCCC1 14070095 KDVQEBAPOHESEH-UHFFFAOYSA-N 406.574 3.458 0 40 HGAB Cc1cc2c(cc1S(=O)(=O)N1CCOCC1)Oc1cc(Cl)ccc1C(=O)N2 15107732 YHXREERCVPYIIF-UHFFFAOYSA-N 408.863 3.027 0 40 HGAB C[C@H]1CS(=O)(=O)N(c2ccc(C(=O)NCCCc3ccccc3)c(Cl)c2)C1=O 15858374 BRJRBWWGHKIADI-AWEZNQCLSA-N 420.918 3.015 0 40 HGAB CC[C@H]1c2ccsc2CCN1C(=O)c1ccc(OC)c(S(=O)(=O)N(C)C)c1 16778822 FSFLEMPFVHVGON-HNNXBMFYSA-N 408.545 3.157 0 40 HGAB Cn1c(CN2CCCCC2)nc2cc(NC(=O)COc3ccc4c(c3)OCO4)ccc21 19289824 BMZHAISUPQYARK-UHFFFAOYSA-N 422.485 3.305 0 40 HGAB CCOc1ccc([C@H](CNC(=O)c2cc(C(F)(F)F)nn2C)N2CCCC2)cc1 19532705 NJBYAMPCROBVLO-KRWDZBQOSA-N 410.440 3.405 0 40 HGAB CC(=O)N1CCC(N2CCCC[C@@H]2c2nc(C)c3c(n2)N(CC2CC2)CCC3)CC1 19706818 XEFVIIICZLLEMA-JOCHJYFZSA-N 411.594 3.486 0 40 HGAB Cc1n[nH]cc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccccc2F)CC1 19746624 IONMUYNYESOFCJ-NRFANRHFSA-N 412.509 3.333 0 40 HGAB CCN(CC(=O)Nc1ccc(F)c(F)c1F)S(=O)(=O)c1ccc(OC)c(C)c1 19930002 LXTRAMRLQAGEFZ-UHFFFAOYSA-N 416.421 3.070 0 40 HGAB CSc1nc(NCCCN2CCOCC2)c2sc3c(c2n1)COC(C)(C)C3 20573643 YOINKQIQOKTCCH-UHFFFAOYSA-N 408.593 3.399 0 40 HGAB CCOC(=O)[C@@](NCc1ccc(OC)cc1)(NC(=O)c1ccccc1)C(F)(F)F 20840924 ZELUDICQCUZTEP-LJQANCHMSA-N 410.392 3.037 0 40 HGAB CCOc1ccc(N2C[C@H](C(=O)O[C@@H](C)C(=O)c3ccc(OC)cc3)CC2=O)cc1 22085462 HLIRJHANGMTDAR-DOTOQJQBSA-N 411.454 3.261 0 40 HGAB CN(C)S(=O)(=O)N(CC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccccc1F 22525999 KSVKYZVKIGNTJD-UHFFFAOYSA-N 420.293 3.384 0 40 HGAB O=C(CSc1ccc2ccccc2n1)NC[C@@H]1CN(Cc2ccccc2)CCO1 23596435 SGAYSZPVSJVBLL-HXUWFJFHSA-N 407.539 3.344 0 40 HGAB O=C(NCc1ccc(CN2CCOCC2)cc1)c1ccc(F)cc1Br 24178659 HQXKJOSXHXHTLB-UHFFFAOYSA-N 407.283 3.350 0 40 HGAB COc1cc(C(=O)N[C@H](CN2CCOCC2)c2ccccc2)cc(Cl)c1OC 24259141 AERQGILNIYEURP-GOSISDBHSA-N 404.894 3.161 0 40 HGAB CC(C)(CNC(=O)c1nn(-c2ccc(F)cc2)c2c1CCCCC2)N1CCOCC1 24927936 BHUQKZSBSZVJNG-UHFFFAOYSA-N 414.525 3.121 0 40 HGAB CN(c1ccc(C(=O)NCCN2CCCCCC2)cc1)S(=O)(=O)c1cccs1 26114163 HAADIRHESJTWDF-UHFFFAOYSA-N 421.588 3.179 0 40 HGAB C[C@H](OC(=O)c1ccc(C2SCCS2)cc1)C(=O)Nc1ncnc2nc[nH]c12 26236095 AATXBRBVGSAWRN-JTQLQIEISA-N 415.500 3.016 0 40 HGAB Cc1nnc(-n2nc(C)c(SCC(=O)Nc3cccc(Cl)c3C)c2C)nc1O 27756643 XDWYDJWGKBPFNA-UHFFFAOYSA-N 418.910 3.381 0 40 HGAB Cc1ccccc1Nc1nnc(SCc2ccc(Br)cc2)n(N)c1=O 28527370 BSPZDHYMXGEQKO-UHFFFAOYSA-N 418.320 3.459 0 40 HGAB O=C(COc1cccc(C(F)(F)F)c1)NC[C@H](c1cccs1)N1CCOCC1 29841185 YXIWYVYZWMBLFC-MRXNPFEDSA-N 414.449 3.335 0 40 HGAB Cc1ccc([C@@H]2[C@H](NC(=O)c3ccc(F)cc3)C(=O)N/[N+]2=C\c2ccc(F)cc2)cc1 30834241 JVGTXDGBNVBUIS-NGTVUAHZSA-O 420.439 3.289 0 40 HGAB COC(=O)c1ccc(OCC(=O)c2ccc(NC(C)=O)cc2)c(Br)c1 31809830 KUKMJHZOABBXNQ-UHFFFAOYSA-N 406.232 3.456 0 40 HGAB O=C(C[C@@H]1SC(=O)N(c2ccccc2)C1=O)N1CCN(c2ccccc2F)CC1 36635267 RJSOJWMEDRPASF-SFHVURJKSA-N 413.474 3.133 0 40 HGAB COCC(=O)Nc1ccc(N[C@@H](C)C(=O)Nc2ccc(Br)cc2)cc1 40062448 RZZCLDRBZASJRD-LBPRGKRZSA-N 406.280 3.473 0 40 HGAB CCOc1ccc(NC(=O)c2c(S(=O)(=O)Nc3ccc(C)cc3)n[nH]c2C)cc1 49003331 UFXUZDOSXMQVGD-UHFFFAOYSA-N 414.487 3.478 0 40 HGAB Cc1cc(C)cc(-n2cc(C(=O)N3CCC(NC(=O)c4ccccc4F)CC3)nn2)c1 49406397 CGOBHDKBSJQCDL-UHFFFAOYSA-N 421.476 3.058 0 40 HGAB COc1cccc(CC(=O)NC2CCN(C(=O)c3cc(-c4cccs4)n[nH]3)CC2)c1 49406530 SUUIKDHCNYCGTF-UHFFFAOYSA-N 424.526 3.110 0 40 HGAB CCOc1ccc(NC(=O)Cn2ncn3nc(-c4cc(C)ccc4C)cc3c2=O)cc1 51317037 ASUPMJNYNSJNBV-UHFFFAOYSA-N 417.469 3.212 0 40 HGAB CSCC[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)NCc1nc(C)cs1 58085011 GOTHADLLVSGOFE-KRWDZBQOSA-N 414.556 3.168 0 40 HGAB NC(=O)c1cccc(-c2cccc([C@H]3CCCN(C(=O)Cc4ccncc4)C3)n2)c1 72349435 PLCGEBGUIGQKPI-FQEVSTJZSA-N 400.482 3.191 0 40 HGAB Cn1cnc(S(=O)(=O)N2CCC[C@H](c3cccc(Cc4cccc(F)c4)n3)C2)c1 72350343 PMEHOUXWBUJUQV-KRWDZBQOSA-N 414.506 3.113 0 40 HGAB CC[C@H](C(=O)N1CCC(c2ccc(Nc3ccccn3)cn2)CC1)N1CCOCC1 72374356 XJOZVQFKMMZQTK-OAQYLSRUSA-N 409.534 3.037 0 40 HGAB COCCNCc1cnc(C)c2oc(-c3cc(=O)oc4cc5c(cc34)OCO5)cc12 85876636 JRFKDMNGDKNCFZ-UHFFFAOYSA-N 408.410 3.374 0 40 HGAB biogenic C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1CC(=O)NCC1(c2ccccc2)CCC1 89920320 DRKLJUVPZCDKQZ-OALUTQOASA-N 415.578 3.460 0 40 HGAB CCCC[C@H](C(=O)Nc1cnn(Cc2ccc(Cl)cc2)c1)N1CCCS1(=O)=O 89953280 ABTVGEPKWXYVNE-GOSISDBHSA-N 424.954 3.118 0 40 HGAB CCNC(=O)c1cc(NC(=O)c2cc(OC)c(OC)cc2OC)nc2ccccc12 89977490 DALJAVDXVKOGMX-UHFFFAOYSA-N 409.442 3.263 0 40 HGAB C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)N1CCC(c3c[nH]c4ccccc34)CC1)C2=O 95348582 GSRQKPJMYGICAF-UPCLLVRISA-N 422.529 3.375 0 40 HGAB O=C(NC[C@@H]1CC(=O)N(Cc2ccccc2)C1)Nc1nc(-c2cccnc2)cs1 95442633 LFOVEVSZUCPOQO-INIZCTEOSA-N 407.499 3.375 0 40 HGAB C[C@H](NC(=O)CN1CCOC[C@@H]1CC(=O)c1ccccc1)c1ccccc1Cl 95975609 ZYCRYBODJBAFDM-WMZOPIPTSA-N 400.906 3.491 0 40 HGAB CN(C)C(=O)CNC(=O)c1ccc2onc(-c3csc(-c4ccccc4)n3)c2c1 96154463 AXUSCAQYISHCNQ-UHFFFAOYSA-N 406.467 3.436 0 40 HGAB COC(=O)C[C@@H](c1ccc(OC)c(O)c1)c1c(O)n[nH]c1Cc1ccc2c(c1)CCO2 96222327 PHZIDNJVYUJKEY-INIZCTEOSA-N 424.453 3.050 0 40 HGAB biogenic CCCCS(=O)(=O)N1CCC2(CC1)C[C@H](CC(=O)NC(C)C)c1ccccc1O2 96243111 PWVUFISKRVDELH-SFHVURJKSA-N 422.591 3.432 0 40 HGAB O=S(=O)(c1ccc(Cl)cc1)C1CN(S(=O)(=O)c2cccc3ccccc23)C1 96381113 VIEYPMVDOBAIRX-UHFFFAOYSA-N 421.927 3.340 0 40 HGAB COc1cccc(NC(=O)c2cccc(NC(=O)[C@@H]3[C@@H]4C[C@H]5OC(=O)[C@H]3[C@H]5C4)c2)c1 101181090 KUJQXIDRWVCJCT-GYZWRVLVSA-N 406.438 3.084 0 40 HGAB Cc1nn(Cc2ccccc2Cl)c(C)c1NC(=O)[C@@H]1[C@@H]2CC[C@H](O2)[C@@H]1C(=O)O 101256146 ZGVJDVGMFDKWHA-NXOAAHMSSA-N 403.866 3.018 0 40 HGAB Cc1cc(N2C(=O)[C@H]3[C@@H]4CC[C@H](O4)[C@@H]3C2=O)nn1Cc1ccc(Cl)c(Cl)c1 101590758 ZQSKJYWXOITBTQ-OTRWWLKZSA-N 406.269 3.213 0 40 HGAB COc1ccc(NC(=O)[C@@H](C)N(c2cccc(F)c2)S(C)(=O)=O)cc1Cl 220471183 SVQNEVSFRSCCNK-LLVKDONJSA-N 400.859 3.281 0 40 HGAB CCOC(=O)c1cccc(NC(=O)c2cccc(N3CCCCS3(=O)=O)c2)c1 222557906 LPWIZPNVTZATGK-UHFFFAOYSA-N 402.472 3.046 0 40 HGAB COc1ccc(CC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1C 223203983 IIDXWUDNCCBSNQ-UHFFFAOYSA-N 402.516 3.359 0 40 HGAB CCC(=O)N(Cc1ccc(OC)cc1)[C@@H](C(=O)NC[C@@H]1CCCO1)c1ccccc1 223546815 HKZWOSMLHAKNOR-JTHBVZDNSA-N 410.514 3.470 0 40 HGAB C[C@@H](Oc1cccc2c1CCCC2)C(=O)NCc1ccccc1CN1CCOCC1 224959900 QCLSZCZMOWPCNQ-LJQANCHMSA-N 408.542 3.481 0 40 HGAB S=C(NC[C@H]1CCCO1)Nc1nc(N2CCCCCC2)cc(N2CCCCC2)n1 225907447 TVMOUTRKFWMCJQ-QGZVFWFLSA-N 418.611 3.313 0 40 HGAB Cn1ccc2cc([C@H](O)CNS(=O)(=O)c3ccc(Br)s3)ccc21 239611716 FBPWALUZTVZWLY-CYBMUJFWSA-N 415.334 3.014 0 40 HGAB C[C@@H](CCC(=O)O)[C@@H]1CC[C@@H]2[C@@H]3[C@H](C[C@H](O)[C@]12C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O 253536101 BHQCQFFYRZLCQQ-JDGZQIMVSA-N 408.579 3.449 0 40 HGAB CC1(C)Oc2ccc(Cl)cc2[C@H]2O[C@H]3CCCN(C(=O)COCC(=O)O)[C@H]3C[C@@H]21 257211578 BZKCSYYZOINFRD-MZRZTIOWSA-N 423.893 3.049 0 40 HGAB Cc1ccc2c(c1)O[C@@H](C(=O)N[C@H](C)C(C)C)CN2S(=O)(=O)c1ccccc1 260908020 WHOWSNVBTDQYOO-OXQOHEQNSA-N 402.516 3.112 0 40 HGAB COc1ncccc1NC(=O)c1nc([C@@H]2CCCN2c2ncccn2)n2ccccc12 306133792 MWMHDIWHFBCTPW-KRWDZBQOSA-N 415.457 3.122 0 40 HGAB COc1ccc(-c2cnc3n2C[C@]2(CCN(C(=O)Cc4ccccc4)C2)OC3)cc1 306139371 SVMDUQWAJUMFMT-XMMPIXPASA-N 403.482 3.303 0 40 HGAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@@H](C)CCc2ccccc2)cc1C 408602768 FPBCYDFUWUTWGO-ROUUACIJSA-N 418.559 3.198 0 40 HGAB COc1ccc(C)cc1S(=O)(=O)N(CCc1ccccc1)CC(=O)NC(C)(C)C 408619414 HUFKUPPBWXTBBD-UHFFFAOYSA-N 418.559 3.152 0 40 HGAB COc1cc(C(=O)N2CCc3nc(N)ncc3C2)ccc1OCc1ccccc1Cl 575207219 XTYIMGGKTXPOLC-UHFFFAOYSA-N 424.888 3.498 0 40 HGAB Cc1csc(Nc2nccnc2[C@H]2CCCN(C(=O)/C=C/c3cccnc3)C2)n1 585291554 ACHHJLOVXPQFQA-LXXRFIIISA-N 406.515 3.800 0 40 HGAB O=C(Cc1c[nH]c2ccccc12)N1CC[C@@H](c2ccccc2F)S(=O)(=O)CC1 585394719 CVLPCQYCCCEZIK-FQEVSTJZSA-N 400.475 3.238 0 40 HGAB C=CC(=O)N1CCC(C(=O)Nc2ccc3c(c2)N(C)CCO3)(c2ccccc2)CC1 1630702774 UNGJWHIOKIPQAS-UHFFFAOYSA-N 405.498 3.200 0 40 HGAB Cn1ccnc1[C@@H](NC(=O)NCC[C@@](C)(O)c1ccccc1)c1ccc(F)cc1F 1684597937 PMOMFTUFOXKVMG-SIKLNZKXSA-N 414.456 3.385 0 40 HGAB Brc1cnc(OC[C@H]2CCCN(Cc3nc4c(s3)CCC4)C2)nc1 1775996022 RIYZUUVDPHFUMS-LBPRGKRZSA-N 409.353 3.475 0 40 HGAB CSc1nc(C(F)F)cc(N2CCN(c3nc(C)nc4cnccc34)CC2)n1 1888899320 RGYNDEAQXKMRFA-UHFFFAOYSA-N 403.462 3.109 0 40 HGAB O=C(NCc1ccc(F)cc1)N1CCC(Oc2ncc(-c3ccncc3)cn2)CC1 1889237974 GZTAEDLISCQTRR-UHFFFAOYSA-N 407.449 3.431 0 40 HGAB O=C(CN1CCC[C@@](O)(COc2ccc(F)cc2)C1)Nc1ccc(OC(F)F)cc1 2037915986 FSGZVDSQYZJTFY-NRFANRHFSA-N 424.419 3.272 0 40 HGAB COc1ccc(N(CC(=O)Nc2ccc3ccccc3c2)S(C)(=O)=O)c(OC)c1 827675 VGKYNIQKNAFZCX-UHFFFAOYSA-N 414.483 3.262 0 40 HGAB COC(=O)[C@H](C)OC(=O)c1ccc(Oc2nc(NC(C)C)nc(NC(C)C)n2)cc1 985037 WDCSFGLBOAFPHV-ZDUSSCGKSA-N 417.466 3.023 0 40 HGAB COc1cccc(N2CCN(c3ncnc4c3cnn4-c3cccc(C)c3)CC2)c1 2374104 AQEBSKZOBILSJK-UHFFFAOYSA-N 400.486 3.459 0 40 HGAB C[C@@H](OC(=O)Cn1nnc(-c2ccccc2)n1)C(=O)Nc1cccc(Cl)c1Cl 3321438 NMSNGGJPFNSAKP-LLVKDONJSA-N 420.256 3.217 0 40 HGAB CCCCn1c(N)c(N(CC)C(=O)C(c2ccccc2)c2ccccc2)c(=O)[nH]c1=O 3423010 WUDWKAFNSJLICM-UHFFFAOYSA-N 420.513 3.104 0 40 HGAB O=C(Cn1c(S(=O)(=O)Cc2ccccc2)nc2ccccc21)N1CCCCCC1 4304941 MVAYJPQJPNLRAP-UHFFFAOYSA-N 411.527 3.413 0 40 HGAB COc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)c(OC)c1 4393888 DEIODXUHRUXQNP-UHFFFAOYSA-N 418.515 3.439 0 40 HGAB Cc1c(C(=O)OCc2cccc(S(=O)(=O)N3CCOCC3)c2)oc2ccccc12 4462995 APHFAAAYHWKTLC-UHFFFAOYSA-N 415.467 3.119 0 40 HGAB COc1ccc(NC(=O)[C@@H](C)Sc2nnc(-c3ccc4c(c3)OCO4)n2C)cc1 4736394 VXGXJZLRVKWTRV-GFCCVEGCSA-N 412.471 3.339 0 40 HGAB CC(C)(C)NC(=O)[C@@H](c1cccs1)N(Cc1ccco1)C(=O)c1csnn1 4890264 GYYDNWMVORWXBB-OAHLLOKOSA-N 404.517 3.491 0 40 HGAB CC(=O)c1cccc(NC(=O)CSc2nnnn2-c2cccc3c2CCCC3)c1 4968130 XMZWTABLJCJSFT-UHFFFAOYSA-N 407.499 3.475 0 40 HGAB CCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)CCN1CCC[C@H](C)C1 5055129 JRQSZHXFPGPARL-AWEZNQCLSA-N 417.506 3.422 0 40 HGAB CC(C)[C@H](NC(=O)N1CCn2c1nc1ccccc12)C(=O)N[C@@H](C)Cc1ccccc1 5451537 NHVKNMSVVTVQEV-UWJYYQICSA-N 419.529 3.338 0 40 HGAB COc1ccc(C(=O)NC(=O)COC(=O)Cc2ccc(-c3ccccc3)cc2)cc1 6641816 JRZLLPHSXJNAHZ-UHFFFAOYSA-N 403.434 3.405 0 40 HGAB COc1ccc(CNC(=O)[C@@H](C)Sc2nc3cc(Cl)cnc3[nH]2)cc1OC 7175750 AOUUMOGXOYHAGF-SNVBAGLBSA-N 406.895 3.426 0 40 HGAB COC(=O)c1ccc(N2CCOCC2)c(NC(=O)COc2ccc(C(C)C)cc2)c1 7389724 LPHUHOHOFOABPQ-UHFFFAOYSA-N 412.486 3.451 0 40 HGAB Cc1occc1-c1nnc(SCC(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)n1C 7735576 BMHBTNRENJIPKG-LBPRGKRZSA-N 414.487 3.124 0 40 HGAB O=C(c1ccccc1)c1ccc(NC(=O)[C@@H]2CCCO2)c(NC(=O)[C@H]2CCCO2)c1 8189527 KDZBHXJCPRSRRW-VQTJNVASSA-N 408.454 3.153 0 40 HGAB CCN(Cc1cccs1)C(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1 8313494 BMDUMTOYFLYWBR-UHFFFAOYSA-N 404.513 3.482 0 40 HGAB Cc1cccc2cc(CN(Cc3ccc(F)cc3)C(=O)N3CCOCC3)c(=O)[nH]c12 8677566 HXWGMTOGGNPJHB-UHFFFAOYSA-N 409.461 3.430 0 40 HGAB Cc1ccc(NC(=O)c2cn(C)c3c(=O)n(Cc4ccccc4)c(=O)[nH]c23)cc1Cl 9659716 YBZCWFMFTUGIIF-UHFFFAOYSA-N 422.872 3.291 0 40 HGAB COC(=O)c1ccc(NC(=O)CSc2nnc3ccc(-c4ccccc4)nn23)cc1 9829041 MJXICCULCIVCNW-UHFFFAOYSA-N 419.466 3.309 0 40 HGAB Cc1ccc(-c2cnc(CCC(=O)NCc3ccc(N4CCOCC4)nc3)o2)cc1C 10720026 HQEPOOVZODWVIN-UHFFFAOYSA-N 420.513 3.439 0 40 HGAB CCCn1c(SCC(=O)N2C[C@H](C)O[C@H](C)C2)nc2sc(CC)cc2c1=O 11065054 VOSLIQRBXASQSE-BETUJISGSA-N 409.577 3.158 0 40 HGAB O=C(C[C@H]1CCCCN1S(=O)(=O)c1ccccc1)Nc1ccc2c(c1)OCCO2 11612582 FXPSAOBSKWSSFV-QGZVFWFLSA-N 416.499 3.030 0 40 HGAB Cc1ccc(CN(C(=O)c2cc(-c3ccccc3)on2)[C@H]2CCS(=O)(=O)C2)cc1 11917137 KHAMSZPDABYZFX-IBGZPJMESA-N 410.495 3.480 0 40 HGAB Cc1sc2nc(C(C)C)n([C@H]3CCCN(CC(=O)N4CCCC4)C3)c(=O)c2c1C 12184114 YBCPQIUPCVLGJC-KRWDZBQOSA-N 416.591 3.458 0 40 HGAB CCCCOC(=O)c1ccc(NC(=O)CSc2n[nH]c(=O)n2CCCC)cc1 12859098 WUHYYCPOYQJKRW-UHFFFAOYSA-N 406.508 3.059 0 40 HGAB C[C@H](NCC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1)c1ccc2ccccc2c1 12904914 NYUTYECZKXFKIT-JTSKRJEESA-N 414.571 3.449 0 40 HGAB CCCCc1ccc(N2C[C@H](C(=O)N3CCN(c4nccs4)CC3)CC2=O)cc1 12980379 ZVEBOIXHNMMGHA-GOSISDBHSA-N 412.559 3.187 0 40 HGAB COc1cc(Br)c(CNC[C@@H]2CN(Cc3ccccc3)CCO2)cc1O 14157532 DLQWLZYFWFVULA-QGZVFWFLSA-N 421.335 3.154 0 40 HGAB CNC(=O)c1ccc(NC(=O)C2(S(=O)(=O)c3cc(C)ccc3C)CCCC2)cc1 14202016 TVUMNEYSMZOIDD-UHFFFAOYSA-N 414.527 3.388 0 40 HGAB COc1ccc([C@@H]2CCCN2CC(=O)Nc2ccc(CN3CCOCC3)cc2)cc1 15452776 WGTYKETVDWXNJS-QHCPKHFHSA-N 409.530 3.303 0 40 HGAB C[C@H](NC(=O)c1cccnc1Sc1ccccc1)c1ccc(S(N)(=O)=O)cc1 15934671 JXAVSXLYUWPLSH-AWEZNQCLSA-N 413.524 3.371 0 40 HGAB C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1CC(=O)Nc1cccc(Cl)c1Cl 16311843 ZWBLIVGIRVIZNM-JTQLQIEISA-N 414.314 3.031 0 40 HGAB CC(C)(C)Sc1ccc2nn(CC(=O)Nc3ccc(F)cc3Cl)c(=O)n2n1 16844605 HSNSRSPKOAILNF-UHFFFAOYSA-N 409.874 3.213 0 40 HGAB CCC(=O)N1CCN(c2ccccc2NC(=S)NC(=O)/C=C/c2ccccc2)CC1 17093229 ILLXNRVRGQLWBF-OUKQBFOZSA-N 422.554 3.272 0 40 HGAB NC(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CN(C(=O)Cc2ccccc2)CCO1 19370261 SNZCFLWVHJQQIR-DEOSSOPVSA-N 420.534 3.283 0 40 HGAB Cc1c(S(=O)(=O)N2CCC[C@@H](COc3ccc(F)cc3)C2)cnn1C(F)F 19553056 HJWYLMXTCAOFFR-CYBMUJFWSA-N 403.426 3.205 0 40 HGAB COc1cccc(-c2cc(-c3cccnc3)nn2CCNC(=O)c2cnn(C)c2C)c1 19553477 PNYOTHIFEVBPCE-UHFFFAOYSA-N 416.485 3.093 0 40 HGAB COc1ccc([C@H]2N(C(=O)c3ccc4c(c3)OCO4)CCC[C@]23CCC(=O)N3)cc1 19557424 GRUBXKMFLUVVRS-GGAORHGYSA-N 408.454 3.050 0 40 HGAB CN(C)C(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)CN(Cc2cccnc2)CCO1 19580913 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CCC[C@]1(C(=O)OC)N[C@@H](c2cccs2)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]21 100420985 GDKMBQIZOMERJG-DLRJPAPCSA-N 416.474 3.049 0 40 HGAB Cc1cc(O[C@H](C)C(=O)NC[C@H]2CC[C@H](C(=O)O)CC2)c2c(C)cc(=O)oc2c1 100763989 XWURMJXPBINAQM-OAGGEKHMSA-N 401.459 3.184 0 40 HGAB O=C(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)Nc1cccc(NC(=O)c2cccs2)c1 102733044 DDNGHWYWTGKHAI-CALCHBBNSA-N 423.494 3.280 0 40 HGAB CC[C@H](NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C)c1ccc(C)cc1 113946671 PUHWVUOVTIFLKN-IBGZPJMESA-N 407.511 3.014 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC3(CC2)CC(=O)c2cc(C)ccc2O3)cc1 170550239 VHLILWQAPZOOTC-UHFFFAOYSA-N 401.484 3.192 0 40 HGAB COc1ccc(CN(C)C(=O)[C@@H](C)N(c2ccc(C)c(Cl)c2)S(C)(=O)=O)cc1 220350633 NFYPDOGIYORSHC-OAHLLOKOSA-N 424.950 3.470 0 40 HGAB C[C@@H](NC(=O)COc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(F)cc1 223063683 WRYPTOALVIICDJ-MRXNPFEDSA-N 420.506 3.257 0 40 HGAB COCCn1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN(C)C)c1C 223222775 CWQPCVQWJQXCKH-RTWAWAEBSA-N 415.607 3.071 0 40 HGAB Cc1cccc(OCCNC(=O)[C@@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)c1C 223925230 YLEVDPVDXFFOMP-MRXNPFEDSA-N 424.950 3.307 0 40 HGAB CSc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(OC(C)C)cc2)cc1 225316085 FNTJRVZGMRKWJP-UHFFFAOYSA-N 408.545 3.455 0 40 HGAB CNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CCc1ccc2c(c1)OCO2 225407897 DCCIJMWUCZSIFI-AWEZNQCLSA-N 402.878 3.165 0 40 HGAB CCc1ccc(CC)c(CNC(=O)[C@@H](C)Oc2ccc(N(C)S(C)(=O)=O)cc2)c1 225461582 QOHFLQSMRBXAPL-MRXNPFEDSA-N 418.559 3.291 0 40 HGAB Cc1ccccc1-n1c(CC2CCN(C(=O)CSC3CCCC3)CC2)n[nH]c1=O 225546934 DWQMNSKTHUJXQJ-UHFFFAOYSA-N 414.575 3.326 0 40 HGAB COc1ccc(Nc2cc(C)nc([C@@H]3CCCN(C(=O)CN4CCCC4=O)C3)c2)cc1 257247855 JAWJDLMRZWZKDK-GOSISDBHSA-N 422.529 3.471 0 40 HGAB CCOc1ccccc1-c1cc(C(=O)N2CCC[C@@H]3N(C(C)=O)CCC[C@@]32C)[nH]n1 257332257 XWLVMNXEWJAVNU-GMAHTHKFSA-N 410.518 3.481 0 40 HGAB CC[C@@H](C(=O)N[C@H](C)c1ccccc1OC)N(c1ccc(C)cc1)S(C)(=O)=O 260846816 ZWOUPTGQFRSZEY-APWZRJJASA-N 404.532 3.426 0 40 HGAB COc1cccc(N([C@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)CCC3)S(C)(=O)=O)c1 260937152 PFXRVKOEEJXBLT-JKSUJKDBSA-N 416.543 3.216 0 40 HGAB Cc1nc2c(n1C(C)C)CN(C(=O)c1cnccn1)CC21CCN(CC(C)C)CC1 306141016 VJAJESHWFPCUMN-UHFFFAOYSA-N 410.566 3.208 0 40 HGAB CCCCCNC(=O)COc1ccc(S(=O)(=O)NC2CCCC2)cc1Cl 408582344 CLMQEJLTFVNWHU-UHFFFAOYSA-N 402.944 3.246 0 40 HGAB COCCNC(=O)c1cc(S(=O)(=O)Nc2ccccc2C(F)(F)F)ccc1C 408617878 DWNRJLQQMIRFQB-UHFFFAOYSA-N 416.421 3.191 0 40 HGAB COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC[C@H](C(=O)NCCC(C)C)C1 408700945 OTEOXTRWGFFESR-SFHVURJKSA-N 410.580 3.382 0 40 HGAB C[C@H](NC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccccc1)c1ccccc1 408708451 IBXTUKMBLFUSSF-KRWDZBQOSA-N 401.466 3.433 0 40 HGAB O=C(N[C@H]1C(=O)N/[N+](=C\c2ccccc2)[C@@H]1c1ccc(Cl)cc1)c1ccc(F)cc1 409053637 GPLCAAAEVGAVON-MAEDJNRBSA-O 422.867 3.495 0 40 HGAB Cc1cc(C)cc(NC(=O)COc2ccc(S(=O)(=O)N3CCCC3)cc2C)c1 409393396 WEVBEODXNOGKIX-UHFFFAOYSA-N 402.516 3.414 0 40 HGAB CC(C)N1C[C@H](c2ccccc2)[C@@]2(CN(C(=O)Cc3cccc(F)c3)CCO2)C1=O 585107186 QWYNUXUHAYHALF-QPPBQGQZSA-N 410.489 3.000 0 40 HGAB Cc1sc2nc(CSCC(=O)Nc3c4c(nn3C)CSC4)nc(O)c2c1C 604418860 LBIPHFVABHTESO-UHFFFAOYSA-N 421.573 3.366 0 40 HGAB O=C(CN1CCC[C@](O)(COc2ccccc2)CC1)Nc1nc2c(s1)CCCC2 2037916147 RGKSIKHRNUORCX-JOCHJYFZSA-N 415.559 3.256 0 40 HGAB O=c1c([C@H]2NCCc3c2[nH]c2ccccc32)c(O)nc(S)n1CCc1ccccc1 1322940 GUDYFMZGYBKFRU-HXUWFJFHSA-N 418.522 3.197 0 40 HGAB biogenic CCC(=O)Nc1cccc(NC(=O)CSc2nnc(-c3ccncc3)n2CC)c1 1342418 CJWTZIVZJBZWTN-UHFFFAOYSA-N 410.503 3.439 0 40 HGAB C/C(NCc1cccc(F)c1)=C1/C(=O)NC(=O)N(c2ccccc2C(F)(F)F)C1=O 1407472 TZOORMRCVHOMRS-LFIBNONCSA-N 421.350 3.491 0 40 HGAB O=C(COc1ccc(Cl)cc1)OCCCNC(=O)c1cc2ccccc2oc1=O 1916523 ZENFZKZCDPKEAM-UHFFFAOYSA-N 415.829 3.189 0 40 HGAB COc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2Cc2ccc(Cl)cc2)cc1 2377056 PGFRDUGTENWVIP-UHFFFAOYSA-N 409.873 3.416 0 40 HGAB Cc1ccccc1Nc1nnc(SCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)s1 2617645 ZONNDFAISNTMEN-UHFFFAOYSA-N 412.500 3.491 0 40 HGAB O=C(OCc1nc2ccccc2s1)c1ccc(S(=O)(=O)N2CCCC2)cc1 2661760 BKWLLRSMKWXPSB-UHFFFAOYSA-N 402.497 3.438 0 40 HGAB COc1ccccc1C(=O)N[C@H](CCSC)C(=O)OCC(=O)c1ccc(F)cc1 3315100 LTDZGXDBZYOQGV-QGZVFWFLSA-N 419.474 3.112 0 40 HGAB O=C(O)C[C@H](CNC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1)c1ccccc1 4029189 YWCMVBHNMHKDLX-UXHICEINSA-N 410.470 3.162 0 40 HGAB biogenic O=C(O)c1ccc(NC(=O)c2cccc(N3C(=O)[C@H]4[C@H]5CC[C@H](C5)[C@@H]4C3=O)c2)cc1 4592929 MZSOWYXXYVLMAT-FTUNRGFVSA-N 404.422 3.173 0 40 HGAB O=C(C[C@@H]1Nc2ccccc2NC1=O)Nc1ccccc1I 4608116 GFBLLRDYKZDIGD-AWEZNQCLSA-N 407.211 3.053 0 40 HGAB COC(=O)c1ccc(N2CCN(C(C)=O)CC2)c(NC(=O)c2cccc(Cl)c2)c1 4712211 WPFVCFUEXHVKFK-UHFFFAOYSA-N 415.877 3.047 0 40 HGAB CCOc1ccc(N(CC(=O)NC(C)C)S(=O)(=O)c2ccc(Cl)cc2)cc1 4905554 AHLBPCBRXFZKIN-UHFFFAOYSA-N 410.923 3.459 0 40 HGAB CC(=O)N1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc4c(c3)OCCO4)=NN12 4980228 TWOYWWMDCXHEEI-HXUWFJFHSA-N 419.481 3.340 0 40 HGAB Cc1cc(=O)oc2c(C)c(OCC(=O)N3CCN(c4ccc(F)cc4)CC3)ccc12 6660851 CTRFBTIAPRAXGU-UHFFFAOYSA-N 410.445 3.277 0 40 HGAB O=C(COc1ccc(Cl)c2cccnc12)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 6979599 ZGXSQIHANIXFJC-OAHLLOKOSA-N 422.934 3.225 0 40 HGAB C[C@H]1CCN(C(=O)CSc2nnnn2-c2ccc(O)cc2)c2ccccc2S1 7036023 UWJDGDYONFKZHL-ZDUSSCGKSA-N 413.528 3.378 0 40 HGAB CNC(=S)N(CC(=O)Nc1c(C)cccc1C)CC(=O)Nc1c(C)cccc1C 7060703 YOSGKWDYOSNNBF-UHFFFAOYSA-N 412.559 3.304 0 40 HGAB O=c1[nH]c2ccc(S(=O)(=O)N(CCc3ccccc3)Cc3cccs3)cc2[nH]1 7687232 RKHYBCFCGOXFLP-UHFFFAOYSA-N 413.524 3.351 0 40 HGAB CC(=O)Nc1ccc(C(=O)OCC(=O)Nc2ccc(C(=O)OCC(C)C)cc2)cc1 7939739 BTRLVXYCIRGUND-UHFFFAOYSA-N 412.442 3.253 0 40 HGAB CSc1ccc(NC(=O)c2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)cc1 8049164 AVQZZANQXDTWIR-INIZCTEOSA-N 406.529 3.118 0 40 HGAB CC(C)C[C@H](C(=O)OCC(=O)N[C@@H](C)c1ccccc1)N1C(=O)c2ccccc2C1=O 8283654 BCIVPBLIEMXJFS-OXJNMPFZSA-N 422.481 3.118 0 40 HGAB COc1cc(NC(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)c(OC)cc1Cl 9656339 VGCJHKVVNJHGLC-UHFFFAOYSA-N 408.245 3.303 0 40 HGAB Cc1ccc(Cn2c(=O)c3c(nc4n3CCN4c3cc(C)ccc3C)n(C)c2=O)cc1 10104771 RKDJLVVLUKGWFB-UHFFFAOYSA-N 415.497 3.022 0 40 HGAB C[C@@H]1CCCN(C(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(C)(=O)=O)C1 10541406 CCGSUUMFTWQFHL-LLVKDONJSA-N 412.861 3.383 0 40 HGAB CCOCc1ccc(C(=O)N2CCC[C@H]([C@@H]3C[C@H](C(F)F)n4ncnc4N3)C2)cc1 12182100 HVMGXNAWECATFQ-OKZBNKHCSA-N 419.476 3.357 0 40 HGAB COC(=O)c1ccc(C(=O)N2CCC(c3nnsc3-c3cc(C)no3)CC2)cc1 12224146 OAFBYFQDAJMGSJ-UHFFFAOYSA-N 412.471 3.308 0 40 HGAB CCc1cc(C(=O)N2CCC([C@H](NC(=O)C(C)(C)C)c3nccs3)CC2)on1 12365787 MASGJQSZUBKNHN-INIZCTEOSA-N 404.536 3.449 0 40 HGAB CN(Cc1cnn(-c2ccccc2)c1)CN1C(=O)N[C@](C)(CCc2ccccc2)C1=O 12745699 FCCBYVYMJPOJJL-XMMPIXPASA-N 417.513 3.205 0 40 HGAB O=C(c1nn(-c2ccc(F)cc2)c2c1CCCC2)N1CCC(C(=O)N2CCCC2)CC1 12800165 ALAQSJGTYNHTHI-UHFFFAOYSA-N 424.520 3.365 0 40 HGAB COc1cc(C(=O)NCc2ccccc2S(=O)(=O)N2CCCCC2)ccc1C 12819555 AVGGTBJJXOEQEP-UHFFFAOYSA-N 402.516 3.108 0 40 HGAB CCCCn1c(S[C@@H](C)C(=O)N2CCC(Cc3ccccc3)CC2)n[nH]c1=O 13009973 QLMXKCWZAPJOBY-INIZCTEOSA-N 402.564 3.333 0 40 HGAB COc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)cc1 13137168 VHBFCSBJPSPTMJ-UHFFFAOYSA-N 402.516 3.351 0 40 HGAB Cc1cc(-c2snnc2[C@@H]2CCCN(C(=O)c3ccc4c(c3)OCCO4)C2)on1 13226041 QQDIDXUFCOAZCD-CQSZACIVSA-N 412.471 3.293 0 40 HGAB COc1ccc(Cn2nnnc2[C@H](C(C)C)N2CCN(c3ccccc3)CC2)cc1 13504895 BQPXFKOKGOQZJH-QFIPXVFZSA-N 406.534 3.249 0 40 HGAB O=S(=O)(Nc1ncccn1)c1ccc(NC(=S)Nc2ccccc2F)cc1 13787015 HYTFHNLHXLUEAP-UHFFFAOYSA-N 403.464 3.225 0 40 HGAB CC(=O)c1ccccc1NC(=O)[C@H](C)OC(=O)[C@@]12CCC(=O)N1c1ccccc1S2 14197899 OFTNUTKKTCYZHW-FPTDNZKUSA-N 424.478 3.388 0 40 HGAB CCOc1cc(C(=O)OCC(=O)NCc2ccccc2F)cc(OCC)c1OCC 18187217 HIZDMCFTGUQSKW-UHFFFAOYSA-N 419.449 3.495 0 40 HGAB COc1ccc([C@H](Cc2cc(O)n3nc(C)cc3n2)NC(=O)Cc2ccccc2)cc1 19129951 NXUDPQWNSHHZBW-NRFANRHFSA-N 416.481 3.395 0 40 HGAB Cc1ccc(S(=O)(=O)N2C[C@H]3C[C@H](NC(=O)c4csc(C)c4C)[C@H]3C2)cc1 19211890 CYEXEOSHJBALGE-AYBZRNKSSA-N 404.557 3.112 0 40 HGAB Cc1ccc(CN(CCCN2CCOCC2)Cc2ccnn2[C@@H]2CCCCO2)o1 19216444 GIVGMLIVYGZOOQ-QFIPXVFZSA-N 402.539 3.208 0 40 HGAB Nc1nc(CSCCCn2c(=O)[nH]c3ccccc32)nc(Nc2ccccc2)n1 19223922 VPPMFMWHNNTXSM-UHFFFAOYSA-N 407.503 3.164 0 40 HGAB NC(=O)[C@]1(Cc2cccc(-c3cccc(F)c3)c2)CCCN(C(=O)c2cnccn2)C1 19331325 GYKZYQSHFPSTSJ-DEOSSOPVSA-N 418.472 3.233 0 40 HGAB C[C@@H]1CCCN(c2cc(C(=O)N(C[C@@H]3CCCO3)C3CCN(C)CC3)ccn2)C1 19496615 DOQWFNZBIGCUGX-NQIIRXRSSA-N 400.567 3.033 0 40 HGAB CCc1nccn1CCC(=O)N1CCO[C@H](c2nccnc2-c2cccc(F)c2)C1 19693053 SJKCBSRBMVKNSE-SFHVURJKSA-N 409.465 3.032 0 40 HGAB CCOCc1ccc(C(=O)N2CCC[C@@H](c3nc4c(c(NC)n3)CN(C)CC4)C2)cc1 19710456 CVPFABDTBRPGPT-LJQANCHMSA-N 423.561 3.063 0 40 HGAB Cc1ccc(-c2csnn2)cc1NC(=O)CCC(=O)N1CC(=O)Nc2ccccc21 19718123 CCXCMVPVSNGYOX-UHFFFAOYSA-N 421.482 3.218 0 40 HGAB Cc1ccc(N(CC(=O)NCCSCc2ccccc2)S(C)(=O)=O)c(C)c1 20236711 YULPGXJZCLIQNI-UHFFFAOYSA-N 406.573 3.119 0 40 HGAB CN(C)S(=O)(=O)N(CC(=O)Nc1ccc(C(F)(F)F)cc1)c1ccc(F)cc1 20245329 HHJNPJLVSDFHAR-UHFFFAOYSA-N 419.400 3.096 0 40 HGAB O=C([C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1)N1CCc2ccccc21 20491109 DWXISWTZNJAZJJ-NRFANRHFSA-N 412.555 3.250 0 40 HGAB C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)CCN1C(=O)NC(C)(C)C1=O 26913115 XCHDRRUOCLWQAF-MRXNPFEDSA-N 408.502 3.262 0 40 HGAB CCn1c(SCC(=O)Nc2cc(OC)cc(OC)c2)nc2ccsc2c1=O 27819505 DKSIMZFDHVVVLY-UHFFFAOYSA-N 405.501 3.226 0 40 HGAB CCCCc1noc(CN2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)n1 29240293 NSHOXNDZHPGJMK-UHFFFAOYSA-N 414.531 3.072 0 40 HGAB Cc1ccc(NC(=O)C[S@@](=O)CC(=O)N[C@H]2CCc3ccccc32)cc1Cl 35314115 WQHWDGFZHVFNDA-MYUZEXMDSA-N 404.919 3.139 0 40 HGAB COc1ccc(-c2cc(C(=O)NCCn3nc(C)cc3C)c3c(C)nn(C)c3n2)cc1 36616639 NTBIYRCJPFAHIA-UHFFFAOYSA-N 418.501 3.196 0 40 HGAB CS(=O)(=O)Nc1ccc(C(=O)Nc2ccccc2C(=O)N2CCCC2)c(Cl)c1 38756491 OMDAEFUJFQUNRK-UHFFFAOYSA-N 421.906 3.200 0 40 HGAB COC(=O)c1c(CC(=O)Nc2cccc(NC(=O)c3ccco3)c2)[nH]c(C(C)=O)c1C 40039380 RWVZQXQJGTVBHM-UHFFFAOYSA-N 423.425 3.339 0 40 HGAB CCN(CC)C(=O)N1CCN([C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)CC1 40088191 AAGSWBARMPETTG-CYBMUJFWSA-N 401.338 3.400 0 40 HGAB C[C@H]1C[C@H]1C(=O)NCCC(=O)Nc1ccc(Br)cc1Br 40090185 XFWWAWJIKDUXGE-WCBMZHEXSA-N 404.102 3.312 0 40 HGAB C[C@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)CNC(=O)Cc2ccccc2)C1 40091118 SKAIEKSPAXTRFM-HDICACEKSA-N 407.514 3.102 0 40 HGAB C[C@@H]1C[C@@H]1c1ccc(CN(C)C(=O)CC[C@H]2NC(=O)N(c3ccc(F)cc3)C2=O)o1 40118683 KXZVHZSWTUYNKT-JEBQAFNWSA-N 413.449 3.406 0 40 HGAB Cc1occc1C(=O)Nc1nc(CC(=O)NC[C@H](C)N(C)c2ccccc2)cs1 40134453 AQXMDVDHJNICQA-AWEZNQCLSA-N 412.515 3.480 0 40 HGAB Cc1cccc(NC(=O)C2CCN([C@H](C)C(=O)N3CCc4sccc4C3)CC2)n1 40154616 OAWLGOGNLHBUAS-MRXNPFEDSA-N 412.559 3.075 0 40 HGAB Cc1cccc(-c2csc3c(=O)n(Cc4cc(=O)n5ccccc5n4)cnc23)c1 44166799 ZJHQHRNYNCLXQQ-UHFFFAOYSA-N 400.463 3.490 0 40 HGAB Cc1ccc(C)c(-n2ccn(Cc3nc(-c4ccc(C)c(C)c4)no3)c(=O)c2=O)c1 49407734 IFNKHIJMVKIWRO-UHFFFAOYSA-N 402.454 3.331 0 40 HGAB COc1ccccc1N1CCN(CCNC(=O)c2ccc(C(F)(F)F)cc2)CC1 56997308 NUZSWKCZUXSJAE-UHFFFAOYSA-N 407.436 3.266 0 40 HGAB Cc1ccc(CNC(=O)Cn2cnc3c(cnn3-c3cc(Cl)ccc3C)c2=O)cc1 57428331 RNZKPZAFHNIAED-UHFFFAOYSA-N 421.888 3.169 0 40 HGAB CC(=O)N1CCCc2cc([C@@H](O)CN3CCN(c4cc(C)ccc4C)CC3)ccc21 57811733 WPUGREDALRTAPX-VWLOTQADSA-N 407.558 3.458 0 40 HGAB CC(=O)NC1(c2ccccc2)CCN(CC(=O)c2ccc(N3CCCC3=O)cc2)CC1 57822729 ZNOKEYJOLUEHID-UHFFFAOYSA-N 419.525 3.124 0 40 HGAB CCCc1nc2c3cc(OC)c(OC)cc3n(CC(=O)c3ccc(C)cc3)c(=O)n2n1 62639803 QGHREEADWGUOQE-UHFFFAOYSA-N 420.469 3.205 0 40 HGAB Cn1cc(-c2ccncc2)c(-c2ccc(CNC(=O)COC[C@H]3CCCCO3)cc2)n1 72344966 VHGAMZPXDUTFDR-OAQYLSRUSA-N 420.513 3.351 0 40 HGAB O=C(CN1CCC[C@@H](c2cccc(Cc3ccccc3Cl)n2)C1)N1CCOCC1 72348739 TULGKRYEMAMZDX-LJQANCHMSA-N 413.949 3.364 0 40 HGAB COc1ccccc1S(=O)(=O)N1CCC[C@@H]1c1cccc(Nc2cnccn2)n1 72375833 RWQLPNVVKHLDTH-MRXNPFEDSA-N 411.487 3.150 0 40 HGAB CNC(=O)[C@@]1(Cc2ccc(-c3cccs3)cc2)CN(C(=O)c2ccncc2)CCO1 72389226 QRVCGELJPVUSOB-HSZRJFAPSA-N 421.522 3.010 0 40 HGAB CC(C)C[C@@H](C(=O)NCCNc1ccc(C(F)(F)F)cn1)N1CCCCC1=O 79069413 DAITXMWSPGQFFO-HNNXBMFYSA-N 400.445 3.056 0 40 HGAB O=C(NCC1(c2cccc(C(F)(F)F)c2)CCCC1)N[C@@H]1CCS(=O)(=O)C1 84364341 HBBDGTPJPBNOGG-OAHLLOKOSA-N 404.454 3.004 0 40 HGAB COC(=O)C[C@H](c1ccc(OC)c(O)c1)c1c(O)n[nH]c1Cc1ccc2c(c1)CCO2 96222325 PHZIDNJVYUJKEY-MRXNPFEDSA-N 424.453 3.050 0 40 HGAB biogenic O=C(O)c1ccc(NC(=O)c2ccc(N3C(=O)[C@H]4[C@H]5CC[C@@H](C5)[C@@H]4C3=O)cc2)cc1 100570981 QHMURBWBLKGBSR-LNMJFAINSA-N 404.422 3.173 0 40 HGAB CCCCCOC(=O)[C@@H]1[C@@H]2C=C[C@]3(CN(c4ccccc4Br)C(=O)[C@H]13)O2 101026392 CKCXYQYBGQLBIQ-PFRQMTDMSA-N 420.303 3.469 0 40 HGAB O=C(COC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1)c1ccc(F)cc1 102081220 ZJGXHDUJFOGEAC-LVNJIZSUSA-N 421.424 3.401 0 40 HGAB CC[C@@H](C(=O)NCCOc1ccc(C)cc1)N(c1cc(C)ccc1C)S(C)(=O)=O 220548990 URHCWAIDYOXQAZ-FQEVSTJZSA-N 418.559 3.352 0 40 HGAB C[C@@H](C(=O)NCc1ccncc1)N(Cc1ccccc1)C(=O)COc1ccccc1 222775133 HWWYOWILDLOVPH-IBGZPJMESA-N 403.482 3.194 0 40 HGAB CN(C)S(=O)(=O)c1cccc(C(=O)NCCOc2ccccc2C(C)(C)C)c1 223740163 OVNRFLKIZPSZRL-UHFFFAOYSA-N 404.532 3.043 0 40 HGAB COC(=O)c1cccc(NC(=S)NCc2nc(-c3ccc(OC)cc3)no2)c1C 225823986 CRRHAQXPTCCORO-UHFFFAOYSA-N 412.471 3.327 0 40 HGAB CC1CCN(S(=O)(=O)c2ccc(-n3nc4cc(N)c(Cl)cc4n3)cc2)CC1 226305726 HICBGJFZKVMIQB-UHFFFAOYSA-N 405.911 3.077 0 40 HGAB Cc1noc(-c2ccn3c(CNC(=O)c4ccccc4C(F)(F)F)nnc3c2)n1 238924512 UMYCICKBNPYHTG-UHFFFAOYSA-N 402.336 3.037 0 40 HGAB O=S(=O)(c1ccc(Oc2ccccc2Cl)cc1)N1CC[C@H](n2nccn2)C1 239612026 FHQGNAPNTJKDJA-AWEZNQCLSA-N 404.879 3.360 0 40 HGAB CC(C)n1cnc([C@H]2CN(C(=O)c3ccc(F)cc3)C[C@]23CCN(CC2CC2)C3=O)c1 306134785 NYELOIWEQSIPDP-HYBUGGRVSA-N 424.520 3.471 0 40 HGAB O=C(c1ccccc1Br)N1CC[C@H](c2ccccc2)S(=O)(=O)CC1 390831976 WJZUXZQTNBWIFL-QGZVFWFLSA-N 408.317 3.451 0 40 HGAB Cc1cc(S(=O)(=O)N2CCc3ccccc32)ccc1OCC(=O)NC1CCCC1 408561720 KLNIUFCENOSRSR-UHFFFAOYSA-N 414.527 3.184 0 40 HGAB COC[C@H](C)NC(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1 408629955 LEXZPCDREWULHT-INIZCTEOSA-N 424.950 3.303 0 40 HGAB CCOCCCNC(=O)CN(c1cccc(Cl)c1C)S(=O)(=O)c1ccccc1 409135158 VCVZDLVVIJIJRV-UHFFFAOYSA-N 424.950 3.387 0 40 HGAB O=C(COC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1)Nc1ccccc1C(F)(F)F 409157964 QTAZVMOUICMQAM-LBPRGKRZSA-N 424.350 3.379 0 40 HGAB O=C(NCCCC(=O)N1CCc2ccccc21)NCc1ccc(-n2ccnc2)c(F)c1 522063581 UGBZXUBXPACNNU-UHFFFAOYSA-N 421.476 3.180 0 40 HGAB Cc1nc(Nc2ccccn2)cc([C@H]2CCN(C(=O)/C=C/c3c(C)nn(C)c3C)C2)n1 585291740 FLYMWDUFTLISJA-BLGFXRMMSA-N 417.517 3.303 0 40 HGAB CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@H](Oc2cccc(F)c2)C1 670062120 YIARMLPBMVBINY-INIZCTEOSA-N 420.448 3.411 0 40 HGAB O=C(CCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12)N[C@]1(CO)CCOC1 680461937 FEEVZCHRQLJVQN-QFIPXVFZSA-N 400.425 3.313 0 40 HGAB O=C(N[C@H]1CS(=O)(=O)Cc2ccccc21)N[C@@H]1CCCc2c(F)cc(F)cc21 1686637149 YQLFBRMATHZKDC-MOPGFXCFSA-N 406.454 3.311 0 40 HGAB Cc1cnc(OC[C@H]2CCCN(C(=O)Cc3ccccc3Br)C2)nc1 1776000904 PFUCTQDVLGDPFM-HNNXBMFYSA-N 404.308 3.408 0 40 HGAB COc1cccc(NC(=O)COc2ccc(S(=O)(=O)NC3CCCCC3)cc2)c1 664413 HKCLMSYIXDAIMO-UHFFFAOYSA-N 418.515 3.324 0 40 HGAB O=c1cccc2n1C[C@@H]1C[C@H]2CN(c2ncnc3c2cnn3-c2ccc(Cl)cc2)C1 792124 FGHUAHMBZBDDOQ-CABCVRRESA-N 418.888 3.254 0 40 HGAB COc1ccccc1-c1csc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)n1 3199266 XOZNNDBHZFQKTM-UHFFFAOYSA-N 417.512 3.321 0 40 HGAB COc1ccc(OC)c(-c2nnc(NC(=O)Cc3ccc(OC)c(OC)c3)s2)c1 4087726 BAMGMCZUPNLOTE-UHFFFAOYSA-N 415.471 3.421 0 40 HGAB CC1CCN(c2nc3c(S(=O)(=O)c4ccccc4)nnn3c3ccsc23)CC1 4316126 NIIRLAWPJODFBB-UHFFFAOYSA-N 413.528 3.408 0 40 HGAB COc1ccc(C(=O)N/C(=C/c2cccnc2)C(=O)Nc2ccc(O)cc2)cc1OC 4853240 IEFRBXBOACKTMK-XDHOZWIPSA-N 419.437 3.214 0 40 HGAB O=C(COC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)Nc1ccc(Cl)c(Cl)c1 5240368 AMOOMXLNYGQFQP-LLVKDONJSA-N 411.241 3.117 0 40 HGAB C[C@H](Sc1nc2ccccc2c(=O)n1[C@@H]1CCC[C@H](C)[C@H]1C)C(=O)NC(N)=O 5366227 UGJCFISKXJBFJI-RSUWNVLCSA-N 402.520 3.069 0 40 HGAB O=C(COC(=O)c1cc2ccccc2oc1=O)Nc1ccc(OC(F)(F)F)cc1 6084703 UUYWTGFEZRFELC-UHFFFAOYSA-N 407.300 3.487 0 40 HGAB COc1ccc(-c2cc(=O)oc3cc(O[C@@H](C)C(=O)NCCCN(C)C)ccc23)cc1 6623725 BNYLAWCLPNCWKX-INIZCTEOSA-N 424.497 3.304 0 40 HGAB biogenic CC(=O)N[C@@H](C(=O)NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)C(C)C 7491873 UYGFDABDTQISEB-OAQYLSRUSA-N 408.477 3.455 0 40 HGAB CC(C)n1ncc2c(C(=O)N3CCN(C(=O)c4ccco4)CC3)cc(C3CC3)nc21 8324879 NUEWXUMPBIBIGJ-UHFFFAOYSA-N 407.474 3.081 0 40 HGAB Cc1ccc([C@H]2[C@H](NC(=O)c3ccc(F)cc3)C(=O)N/[N+]2=C\c2ccc(F)cc2)cc1 8396281 JVGTXDGBNVBUIS-GWLUTCJNSA-O 420.439 3.289 0 40 HGAB O=C(COC(=O)c1ccc(N2C(=O)CCC2=O)cc1)Nc1cccc2ccccc12 8410852 KNOCIVPDMOOEDB-UHFFFAOYSA-N 402.406 3.289 0 40 HGAB CS(=O)(=O)N(CCCC(=O)NCCSCc1ccccc1)c1ccccc1 8498137 NBFXNQXMIUPOAZ-UHFFFAOYSA-N 406.573 3.282 0 40 HGAB C[C@H]1CCCN(C(=O)[C@H]2CCc3sc(NC(=O)c4ccc5c(c4)OCO5)nc32)C1 9132396 BCPISDDADWOEKC-JSGCOSHPSA-N 413.499 3.412 0 40 HGAB CCOC(=O)Cc1csc(NC(=O)COc2ccc(Br)cc2F)n1 9857582 ZMTNCBXEZSFVIA-UHFFFAOYSA-N 417.256 3.168 0 40 HGAB Cc1nn2c(=O)cc(CSc3nnc(N)s3)[nH]c2c1-c1ccc(Cl)cc1 10338930 UQVNTRYUTUYQQX-UHFFFAOYSA-N 404.908 3.377 0 40 HGAB COc1ccc(-c2nnc3ccc(OCCNC(=O)c4ccccc4Cl)nn23)cc1 11693884 FOGPVRVEDLVYDX-UHFFFAOYSA-N 423.860 3.262 0 40 HGAB O=C(COc1ccc(F)cc1)N1CCN(c2nccn2-c2cccc(Cl)c2)CC1 11695720 SYGREVKUAHWUGD-UHFFFAOYSA-N 414.868 3.392 0 40 HGAB COc1cccc(N2C[C@@H](c3nc4ccccc4n3CC(=O)N3CCCC3)CC2=O)c1 12062101 PUQBOAYMYGXTCB-KRWDZBQOSA-N 418.497 3.188 0 40 HGAB COc1ccc(-n2ncc3c2CCC[C@@H]3NC(=O)CNC(=O)c2cc(C)oc2C)cc1 12145709 MYJIOHWBSWSMBI-FQEVSTJZSA-N 422.485 3.014 0 40 HGAB COC(=O)c1sc(NC(=O)CN(C)[C@@H](C)c2cccs2)c(C(=O)OC)c1C 12818553 YUFDNUMGAFTMKM-NSHDSACASA-N 410.517 3.323 0 40 HGAB CCc1cccc(N2C[C@H](C(=O)N(C)CC(=O)Nc3cc(C)ccc3C)CC2=O)c1 12824592 LMSNNMHSFLVCKL-LJQANCHMSA-N 407.514 3.316 0 40 HGAB CCCN(C(=O)CCC1CCCCC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 12856699 OPVPDWRTBIBOHW-UHFFFAOYSA-N 412.534 3.271 0 40 HGAB COC(=O)c1ccc(CN(C)C(=O)C2CCN(C(=O)/C=C/c3ccccc3)CC2)cc1 12940103 JOQWSNACJACQDK-JLHYYAGUSA-N 420.509 3.384 0 40 HGAB Cc1ccc([C@@H](CNC(=O)c2nc(-c3ccco3)sc2C)N2CCOCC2)o1 12948939 SXFMUWBTOYVDJO-OAHLLOKOSA-N 401.488 3.416 0 40 HGAB COc1ccccc1-n1nnnc1SCC(=O)c1ccc(Br)s1 13133785 SCQQKKYSAJIOAZ-UHFFFAOYSA-N 411.306 3.470 0 40 HGAB O=C(Nc1ccc(N2CCCC2=O)cc1)C1CCN(C(=O)c2ccc(F)cc2)CC1 14199496 NSPUIPSZHWRRSR-UHFFFAOYSA-N 409.461 3.443 0 40 HGAB CC[C@@]1(c2ccc(F)cc2)NC(=O)N(C[C@@H](O)COc2ccc(C)cc2C)C1=O 14252276 ZSENTGPXRCSJDA-GCJKJVERSA-N 400.450 3.040 0 40 HGAB COc1ccc2c(c1)OC1(CCN(C(=O)Cn3c(C)nc4ccccc43)CC1)CC2=O 19286683 YEPIYJLCJWWIHF-UHFFFAOYSA-N 419.481 3.380 0 40 HGAB O=C1CCCC[C@]2(CN(Cc3ccc(N4CCCC4=O)cc3)C[C@H]2c2ccccn2)N1 19402264 MUHHENQRBQNMFI-SQJMNOBHSA-N 418.541 3.237 0 40 HGAB COc1ccc2c(c1)C(=O)N[C@]1(CC2)CCN([C@@H](C)Cc2ccc(OC)c(OC)c2)C1 19456765 QTGUMDXHONAXJW-SSOJOUAXSA-N 424.541 3.464 0 40 HGAB COc1ccc([C@@H]2CN(C(=O)C3CCC3)[C@H]3CCN(C(=O)c4cccnc4)C[C@H]32)cc1 19557275 IDKDHBHCBJGOJU-VABKMULXSA-N 419.525 3.347 0 40 HGAB Cc1cc(C)n(-c2cccc(CN(CCN3CCOCC3)Cc3cccnc3)c2)n1 19574783 RKFIXEUMYWRLPM-UHFFFAOYSA-N 405.546 3.219 0 40 HGAB C[C@H](CN(C)C(=O)c1ccc(=O)n(CC(=O)N(C)c2ccccc2)c1)c1ccccc1 19749203 LDVMGLSOOAZCBR-LJQANCHMSA-N 417.509 3.387 0 40 HGAB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(OC)c(Cl)c1 20005896 IJUIIVGIXPJMSX-RDTXWAMCSA-N 424.950 3.153 0 40 HGAB CC[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1)c1ccc(OC)cc1 20493502 BWXYZSOBENZNNW-WMZOPIPTSA-N 422.572 3.425 0 40 HGAB CCCn1c(N2CCN(C(=O)C(C)C)CC2)nc2sc3c(c2c1=O)CCCC3 20718714 UTCXQEXTQMOUOF-UHFFFAOYSA-N 402.564 3.051 0 40 HGAB CCCn1c(S[C@H](C)C(=O)N2CCN(CC)CC2)nc2cc(Cl)ccc2c1=O 22987653 PHXNAPOPYQWLSN-CQSZACIVSA-N 422.982 3.105 0 40 HGAB O=C(CN1CCN(c2ccccn2)CC1)N1CCC(c2nc3ccccc3s2)CC1 23873236 QGFNGLBBADOKKQ-UHFFFAOYSA-N 421.570 3.220 0 40 HGAB O=C(C1CCN(S(=O)(=O)c2ccccc2Cl)CC1)N1CCc2ccccc2C1 24836400 KVDJYCUSRDEECM-UHFFFAOYSA-N 418.946 3.326 0 40 HGAB COc1c(C)cnc(CN2CCN([C@@H](C(=O)O)c3c(C)[nH]c4ccccc34)CC2)c1C 31811167 FXJBPRPUTHLKMP-JOCHJYFZSA-N 422.529 3.440 0 40 HGAB Cc1nc(NC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3)C2)sc1-c1nccn1C 32796025 OTURPEQOCFTCTA-LBPRGKRZSA-N 415.906 3.497 0 40 HGAB COC(=O)c1ccc(S(=O)(=O)N[C@@H](C)c2cnn(-c3ccc(F)cc3)c2C)cc1 32808830 RCHVBAOJCILFAD-ZDUSSCGKSA-N 417.462 3.146 0 40 HGAB Cc1cccc2cc(CN(Cc3ccccc3)C(=O)c3cnccn3)c3nnnn3c12 35288586 KNZKWFCZDYRTEC-UHFFFAOYSA-N 409.453 3.219 0 40 HGAB Fc1ccccc1[C@H](c1nnnn1Cc1ccco1)N1CCN(C2CCCCC2)CC1 35291467 HWSXXKXNLPWJOI-JOCHJYFZSA-N 424.524 3.493 0 40 HGAB Cc1nc(C2(NC(=O)[C@@H]3CCCN(C(=O)c4cccs4)C3)CCCCC2)no1 40059616 ZGDZFJZKNNZMBC-OAHLLOKOSA-N 402.520 3.268 0 40 HGAB CN1CCN(Cc2ccccc2CNC(=O)c2ccc(Br)cc2F)CC1 40089786 DVJYMDQUSIWCTK-UHFFFAOYSA-N 420.326 3.266 0 40 HGAB COC(=O)c1cccc2c1CCCN2Cn1nc(N(C(C)=O)C2CC2)sc1=S 40139199 ZBDMUPFDMDERGT-UHFFFAOYSA-N 418.544 3.386 0 40 HGAB C[C@@H](Oc1ccc(C(=O)NCCS(=O)(=O)c2ccccc2)cn1)c1ccccc1 40154852 MHDRCSCFOLJODU-QGZVFWFLSA-N 410.495 3.425 0 40 HGAB CN(C)S(=O)(=O)N(CC(=O)Nc1ccc(C(F)(F)F)cc1)c1ccccc1F 44901234 FCUPJEYWOQQWBH-UHFFFAOYSA-N 419.400 3.096 0 40 HGAB Cc1nccn1-c1cc(CNC(=O)c2ccc(Cl)cc2N2CCCC2=O)ccn1 47012550 PZPQZILWEAVRDJ-UHFFFAOYSA-N 409.877 3.286 0 40 HGAB CCOC(=O)N[C@H](CNC(=O)[C@@H](c1ccccc1)N1CCSCC1)CC(C)C 58223141 DVKNMBKMNWHXJO-RBUKOAKNSA-N 407.580 3.054 0 40 HGAB Cc1ccc(CNC(=O)Cn2c(C(F)(F)F)nc3cc4c(cc32)OCCO4)cc1 64814372 YGFIISYEEUKITE-UHFFFAOYSA-N 405.376 3.451 0 40 HGAB Cc1cccc(N(C)C(=O)CN2C(=O)N[C@@H](c3cc(C)ccc3C)C3=C2COC3=O)c1 67288855 QYQFRRIVXOEKRI-QFIPXVFZSA-N 419.481 3.152 0 40 HGAB Cc1ccc(F)cc1NC(=O)c1nnn(CC(=O)Nc2ccc(F)cc2F)c1C 71327131 OHZZDXMXXOPEKY-UHFFFAOYSA-N 403.364 3.203 0 40 HGAB CCc1ccc([C@H](C)NC(=O)[C@H](C)N2CCC(OCCN3CCCC3)CC2)cc1 72305623 FZVQBVBSEZYQMJ-PMACEKPBSA-N 401.595 3.392 0 40 HGAB COC[C@@H](C)N1CCN(CC(=O)c2cc(C)n(CCc3cccs3)c2C)CC1 72308090 SLJIXLIQBKHWPO-GOSISDBHSA-N 403.592 3.244 0 40 HGAB CC(C)(C)OC(=O)N1CCC[C@]2(CCCN(C(=O)Cn3nnc4ccccc43)C2)C1 72342244 YVWTYUNEDFEPMB-QFIPXVFZSA-N 413.522 3.071 0 40 HGAB CC(C)OC(=O)[C@@H]1CCN(C(=O)CCCN2CCCC2=O)[C@@H]1c1ccc(F)cc1 72342746 PCMMVABTDQSFSV-WIYYLYMNSA-N 404.482 3.070 0 40 HGAB CC(C)Cn1cnc2ccc(NC(=O)Cc3ccc4c(c3)OCCCO4)cc2c1=O 95479209 TXXBSFWJDDAECS-UHFFFAOYSA-N 407.470 3.395 0 40 HGAB Brc1ccnc2c1c(I)nn2[C@@H]1CCCCO1 95630969 LZBHMFYFUWVMQW-QMMMGPOBSA-N 408.037 3.498 0 40 HGAB C[C@H](NCCCOCc1ccco1)[C@H]1CN(C(=O)OCc2ccccc2)CCO1 96013615 NOUXIHQKFFJZKE-GHTZIAJQSA-N 402.491 3.202 0 40 HGAB CCN1[C@H]2CCN(Cc3ccc(C)cc3)CC[C@@H]2Oc2ccccc2S1(=O)=O 96145734 QQADITIIEVYLFB-PMACEKPBSA-N 400.544 3.431 0 40 HGAB Cc1nn(C2CCCC2)cc1/C=c1\sc2n(c1=O)[C@@H]1C[C@@](C)(N=2)Oc2ccccc21 102449680 AIRUMFCUUBVLNT-RDLLLSMYSA-N 420.538 3.080 0 40 HGAB COc1ccc(-c2csc(NC(=O)[C@H](C)N3C(=O)[C@H]4CC=CC[C@H]4C3=O)n2)cc1 102778117 DDTIOBQNZLCVIC-VBNZEHGJSA-N 411.483 3.097 0 40 HGAB C[C@H](C(=O)Nc1ccc(Br)cc1)N(c1ccccc1F)S(C)(=O)=O 220294786 ORWHZZUBQKORSX-LLVKDONJSA-N 415.284 3.381 0 40 HGAB CC[C@@H](C(=O)N[C@H]1CCCc2ccccc21)N(c1ccc(OC)cc1)S(C)(=O)=O 220656851 NXYXLVPCHHEISP-SFTDATJTSA-N 416.543 3.434 0 40 HGAB CCOC(=O)c1ccc(NC(=O)c2cccc(N(C)S(C)(=O)=O)c2C)cc1Cl 222441815 QFKULNACVKNHEZ-UHFFFAOYSA-N 424.906 3.473 0 40 HGAB CC(C)C(=O)N(Cc1ccc(F)cc1)[C@@H](C)C(=O)NCc1ccc2c(c1)OCO2 222913812 LSHIUGUBEGLUSK-HNNXBMFYSA-N 400.450 3.244 0 40 HGAB O=C(NCCc1ccccc1)[C@H]1CN(C(=O)Cc2cccs2)c2ccccc2O1 222959111 HTVCPBZXMVQIME-OAQYLSRUSA-N 406.507 3.444 0 40 HGAB COc1ccc(S(=O)(=O)NCc2nc(-c3ccc(C(C)C)cc3)no2)cc1OC 223582466 STEVQGYGIDMMTB-UHFFFAOYSA-N 417.487 3.356 0 40 HGAB O=C(c1cc(NS(=O)(=O)c2ccc(Cl)cc2)ccc1Cl)N1CCOCC1 224064848 JSKFTRYULJTGFV-UHFFFAOYSA-N 415.298 3.267 0 40 HGAB COc1ccc(NC(=S)NCc2ccccc2CN2CCOCC2)c(OC)c1 225777761 ALSZTYFMBAPJMY-UHFFFAOYSA-N 401.532 3.023 0 40 HGAB O=C(Nc1ccc(OC(F)(F)F)cc1)[C@]12C[C@@H]1CN(c1ccccc1)S2(=O)=O 225938152 PEHBJVKGFWOSRV-PXAZEXFGSA-N 412.389 3.132 0 40 HGAB O=C(NCCn1cc(-c2ccccc2)cn1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 253471504 CZLMNMMVWCMYQP-KRWDZBQOSA-N 408.889 3.373 0 40 HGAB Cc1nc([C@H]2CCCN(C(=O)CCc3ccccc3)C2)nc(C)c1CC(=O)NC(C)C 257305481 SQGFVHQGKNCFCH-NRFANRHFSA-N 422.573 3.499 0 40 HGAB CN1CCC(n2ncc3c2-c2ccccc2OC32CCN(C(=O)N(C)C)CC2)CC1 306134269 NHLAQYBXLIXVJR-UHFFFAOYSA-N 409.534 3.182 0 40 HGAB CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(NC(=O)N3CCCC3)cc2)cc1 408562461 PSHBDHIGOCAVIL-UHFFFAOYSA-N 417.487 3.292 0 40 HGAB NC(=O)[C@@]1(c2ccccn2)CCCN(CC(=O)N(c2ccccc2)c2ccccc2)C1 585261832 SBKWXDAHOHDRFJ-VWLOTQADSA-N 414.509 3.265 0 40 HGAB CC(=O)N[C@@H]1C[C@@H](Oc2cccc(C(F)(F)F)c2)[C@H](O)[C@H]1N(C)Cc1ccccc1 585262434 DPEHPWHMVSVOBD-CGXNFDGLSA-N 422.447 3.223 0 40 HGAB CN(Cc1ccc(OCc2ccccn2)cc1)C[C@@]1(O)CCN(c2ccccn2)C1 585271363 XFXSDAAPODCDQU-DEOSSOPVSA-N 404.514 3.129 0 40 HGAB Cc1ccc(NC(=O)N2CCC[C@@H](N3CCCS3(=O)=O)C2)c(Cl)c1Cl 1116853976 VPEGPFSRUJQONH-GFCCVEGCSA-N 406.335 3.334 0 40 HGAB COc1cccc(NC(=O)c2nc3c(s2)CCN(C(=O)C2(F)CCC2)CC3)c1 1565554128 KNMUHKWQJBOAEF-UHFFFAOYSA-N 403.479 3.223 0 40 HGAB Cc1nc2c(c(N3CCC[C@H](COc4ncc(Br)cn4)C3)n1)CCC2 1775995767 IALPNAXYXQUTIX-ZDUSSCGKSA-N 404.312 3.122 0 40 HGAB Cc1nccc(C(=O)N2CCC[C@](O)(COc3cc(C)c(Cl)c(C)c3)CC2)n1 2037912749 YDMAOXQYGUIKBK-OAQYLSRUSA-N 403.910 3.491 0 40 HGAB Cc1cc(S(=O)(=O)N2CC[C@@H]3C[C@@]32C(=O)N2CCC(C)CC2)c(C)cc1Cl 2056225450 XHKWEVDVSKXNGL-UZLBHIALSA-N 410.967 3.368 0 40 HGAB CCCn1c(SCC(=O)Nc2cccc(C(=O)OC)c2)nnc1-c1ccccn1 1362615 GAYOAJQKFXTZJG-UHFFFAOYSA-N 411.487 3.268 0 40 HGAB Cc1cc(C)c(NC(=O)CN2C(=O)N[C@H](Cc3c[nH]c4ccccc34)C2=O)c(C)c1 2627997 IVALMBPVERBYDZ-LJQANCHMSA-N 404.470 3.195 0 40 HGAB Cc1c(N2C3=[N+](CCCCC3)C[C@@]2(O)c2ccccc2)c(=O)n(-c2ccccc2)n1C 3196401 UVEKHWYHXJFFLR-RUZDIDTESA-N 417.533 3.135 0 40 HGAB Cc1nnc(SCC(=O)c2cc(C)n(C[C@H]3COc4ccccc4O3)c2C)n1C 3415497 VEXFZZOGWGKYJO-INIZCTEOSA-N 412.515 3.357 0 40 HGAB CNc1nc2c(s1)C[C@]1(C)CC[C@@H]([C@H](C)C(=O)N3CCSCC3)[C@H](O)[C@H]1[C@@H]2C 3840515 HQSUAJHCASOPJY-AROIKJCCSA-N 423.648 3.449 0 40 HGAB biogenic,in-vitro COCCNC(=S)N(Cc1cccnc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O 4127471 DISKKTPAVHKLQW-UHFFFAOYSA-N 410.543 3.063 0 40 HGAB CCOc1ccc(C2=NC3=NC(C)=C(C(N)=O)[C@@H](c4ccccc4Cl)N3N2)cc1 4279803 XULVHRHUYWVPIN-GOSISDBHSA-N 409.877 3.176 0 40 HGAB CCN(Cc1nc(-c2ccc(OC)c(OC)c2)no1)C(=O)COc1ccccc1C 4943621 XOJGMRVIQXJYIN-UHFFFAOYSA-N 411.458 3.490 0 40 HGAB CC(C)c1ccc(OCC(=O)N(Cc2ccccc2)[C@@H]2CCS(=O)(=O)C2)cc1 5046847 LDTNBMGSKDFRCL-HXUWFJFHSA-N 401.528 3.405 0 40 HGAB CCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)[C@H](C)N1CCC[C@H](C)C1 5068476 GOKQVHHBOIENNV-KBPBESRZSA-N 417.506 3.421 0 40 HGAB O=C(COc1ccc(Cl)cc1)N(Cc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 5164661 AWKGPQRKVHMICP-KRWDZBQOSA-N 411.882 3.074 0 40 HGAB COc1ccc(/C=C/C(=O)OCc2nc(N)nc(Nc3ccccc3C)n2)cc1OC 5397539 XQXDFQVDZQSFFS-PKNBQFBNSA-N 421.457 3.280 0 40 HGAB Cc1cn([C@@H]2C[C@H](O)[C@H](CO)O2)c(=O)nc1NC1CCCCCCCCCCC1 5496607 NLXIYELCOAXGBJ-UFYCRDLUSA-N 407.555 3.278 0 40 HGAB CC[C@H](C)c1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 5509073 BAWRRANIHTUGAH-INIZCTEOSA-N 402.516 3.473 0 40 HGAB CC(=O)c1cccc(-c2ccc(/C=C3\C(=O)NC(=O)N(Cc4ccco4)C3=O)o2)c1 6022746 DUHVWZCNASKVIL-WOJGMQOQSA-N 404.378 3.404 0 40 HGAB CCCN1CC(=O)N2[C@@H](c3ccc(OC)cc3)c3[nH]c4ccccc4c3C[C@@H]2C1=O 6310968 UMLYWLJKLSABKR-OFNKIYASSA-N 403.482 3.271 0 40 HGAB biogenic Cc1nnc(S/C(=C\c2cc(Cl)c(OCC(=O)O)c(Cl)c2)C(=O)O)[nH]1 6588229 BTTHXVHZSJEGRG-WMZJFQQLSA-N 404.231 3.101 0 40 HGAB COc1ccc(C(=O)NC(=S)Nc2sc3c(c2C(N)=O)CCC3)cc1Cl 6736714 LYDSHGONVLBJCB-UHFFFAOYSA-N 409.920 3.125 0 40 HGAB COc1ccc(NC(=O)[C@H](C)OC(=O)c2ccc3nc(C)c(C)nc3c2)cc1OC 7840535 VVRIIQXZNVBQAV-AWEZNQCLSA-N 409.442 3.448 0 40 HGAB COc1ccccc1N1C[C@@H](C(=O)Nc2ccc(C(=O)OCC(C)C)cc2)CC1=O 7882348 SDUZDOUFPMAASG-KRWDZBQOSA-N 410.470 3.500 0 40 HGAB COc1ccc(NC(=O)COc2ccc(C(=S)N3C[C@H](C)O[C@H](C)C3)cc2)cc1 8222629 BENWODMAFIGJOW-IYBDPMFKSA-N 414.527 3.497 0 40 HGAB O=C(CSc1nnnn1C1CC1)N1CCC[C@H](c2nc3ccccc3s2)C1 8327337 FULSFHCKEVDUBS-LBPRGKRZSA-N 400.533 3.116 0 40 HGAB O=C(c1cccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c1)N1CCc2ccccc21 8725673 JZXOMVJERVVMHB-UHFFFAOYSA-N 422.462 3.419 0 40 HGAB O=C(Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)[C@@H]1Cc2ccccc2O1 9466224 MZFNJVUTJKWZEJ-FQEVSTJZSA-N 400.500 3.194 0 40 HGAB Cc1ccc(CNC(=O)Cc2csc(NC(=O)c3ccc4c(c3)OCO4)n2)cc1 9659258 GAGCFFZHLUNONA-UHFFFAOYSA-N 409.467 3.291 0 40 HGAB Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)NCc2ccc(Cl)cc2Cl)cc1 10039368 ABFWOBRUUIMGPH-GFCCVEGCSA-N 401.315 3.285 0 40 HGAB C[C@@H]1Cc2cc(S(=O)(=O)N3CCCCC3)ccc2N1S(=O)(=O)c1ccccc1 10119286 HQKUHEYROZYKTD-MRXNPFEDSA-N 420.556 3.001 0 40 HGAB CCOc1ccc(-c2nnc(O)c3c2[C@@H](c2ccccc2F)n2nnnc2N3)cc1 10295867 YBCVPQAVLGYXJI-GOSISDBHSA-N 405.393 3.068 0 40 HGAB O=C(NCCc1nnc2ccccn12)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O 10298774 DZQGKFHOORIXLA-HXUWFJFHSA-N 412.449 3.156 0 40 HGAB Cn1nc(C(C)(C)C)cc1C(=O)N1CCC[C@@H](c2nc3ccccc3cc2C(N)=O)C1 12219898 WXEISSVZNKATJO-MRXNPFEDSA-N 419.529 3.385 0 40 HGAB COc1cccc(CC(=O)N2CCC[C@@H](c3nc4ccccc4cc3C(N)=O)C2)c1 12255449 CXJFUKWNYSJDOY-GOSISDBHSA-N 403.482 3.291 0 40 HGAB Cc1nc(C)c(CC(=O)N2CCC[C@@H](c3nc4ccccc4cc3C(N)=O)C2)s1 12256331 IAAXLBLSMZMGAW-MRXNPFEDSA-N 408.527 3.356 0 40 HGAB CCNc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccccc1OC(F)F 12540988 XTBZJXFMWPCBOC-UHFFFAOYSA-N 413.446 3.222 0 40 HGAB CC(=O)Nc1ccc(SCC(=O)Nc2ccc(C(=O)c3nccn3C)cc2)cc1 12582839 PRZYYWICFSYKOF-UHFFFAOYSA-N 408.483 3.340 0 40 HGAB COc1ccc(C)cc1NC(=O)[C@@H]1CC(=O)N(c2cc(OC)c(OC)c(OC)c2)C1 12949566 LXQQSIDHPPSYRW-CQSZACIVSA-N 414.458 3.021 0 40 HGAB CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)NCCCn1nc(C)cc1C 12973333 JNJPELKKVUSMTL-SFHVURJKSA-N 422.982 3.211 0 40 HGAB Cc1ccc(C)c(NC(=O)CSC2=N[C@@H](c3c[nH]c4ccccc34)NC(N)=N2)c1 13579116 ABUJQLJDHRXLOA-IBGZPJMESA-N 406.515 3.429 0 40 HGAB CCCCn1c(N)c(N(C)C(=O)c2sc3ccccc3c2Cl)c(=O)[nH]c1=O 14656652 WZQVDASTIYFRDM-UHFFFAOYSA-N 406.895 3.064 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCCOC3CCCCC3)CC2)cc1 15177305 FBWUPDMQXRLURF-UHFFFAOYSA-N 422.591 3.251 0 40 HGAB CC(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)NCCc2c[nH]c3ccccc23)c1 15565605 VCVAZMSUJGBSQM-UHFFFAOYSA-N 419.934 3.481 0 40 HGAB Cc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N3C[C@@H](C)O[C@H](C)C3)c2)cc1 17327125 SOIMIRHOXRFLET-IAGOWNOFSA-N 402.516 3.354 0 40 HGAB Cn1ccnc1-c1nn(CCNC(=O)[C@H]2CCCCO2)cc1-c1ccc(Cl)cc1 19291540 ARMVZPDQHVDYJB-GOSISDBHSA-N 413.909 3.289 0 40 HGAB COc1cc(C)c(CN2CCC[C@@H](c3cc(=O)[nH]c(-c4cnccn4)n3)C2)cc1C 19567321 RUQPYSKVGHFULU-QGZVFWFLSA-N 405.502 3.232 0 40 HGAB NC(=O)c1[nH]c([C@@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)nc1-c1ccccc1 19698917 RTPNRUXMQMWSSR-QGZVFWFLSA-N 406.461 3.263 0 40 HGAB Cc1nc(N)c2c(C(F)(F)F)cc(C3CCN(C(=O)c4ccccn4)CC3)nc2n1 19743249 SWNSLTXANWHPJM-UHFFFAOYSA-N 416.407 3.349 0 40 HGAB CCOC(=O)c1cccc(NS(=O)(=O)c2ccc(N3CCCC3=O)c(C)c2)c1C 19934443 KKYZEPKNKAKVJY-UHFFFAOYSA-N 416.499 3.408 0 40 HGAB CCN(CC)CCn1c(S)nc2cc(C(=O)N3C[C@H](C)C[C@@H](C)C3)ccc2c1=O 20645358 LFWJNDSWJNBXLC-HZPDHXFCSA-N 416.591 3.145 0 40 HGAB C[C@H](OC(=O)c1ccc2c(c1)OCC(=O)N2)C(=O)Nc1nc(-c2ccccc2)cs1 22258353 NIRXPQQMPVHUMH-LBPRGKRZSA-N 423.450 3.325 0 40 HGAB Cn1ccnc1[C@H](NS(=O)(=O)c1cccc(OC(F)(F)F)c1)c1ccccc1 24378178 IFDDZCXUTQBDBY-MRXNPFEDSA-N 411.405 3.387 0 40 HGAB Cc1ccc(CS(=O)(=O)N2CCC(C(=O)N[C@H](C)c3ccccc3)CC2)cc1 24609258 MHHJLHKRUIDVLF-GOSISDBHSA-N 400.544 3.414 0 40 HGAB O=C(c1n[nH]c2ccccc12)N1CCN(Cc2ccc(Br)s2)CC1 25139515 HMBCQVOKKXTOFE-UHFFFAOYSA-N 405.321 3.345 0 40 HGAB C[C@@H](C(=O)N1CCc2ccccc21)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 25151412 HQHCRXGUDVIGEE-KRWDZBQOSA-N 420.509 3.330 0 40 HGAB O=C(NCCCOC1CCCCC1)c1sccc1S(=O)(=O)N1CCCC1 25323368 RBBVRJPQVBKZJD-UHFFFAOYSA-N 400.566 3.002 0 40 HGAB COc1cccc([C@H](NC(=O)c2cncc(Br)c2)c2nccn2C)c1 29092787 ZVABBLAMRRXUTK-INIZCTEOSA-N 401.264 3.106 0 40 HGAB COc1ccccc1N1C[C@@H](C(=O)Nc2nnc(Cc3ccccc3)s2)CC1=O 31816575 DCCWEUZJXKUQPO-HNNXBMFYSA-N 408.483 3.129 0 40 HGAB O=C(Nc1ccc(CC(=O)N2CCOCC2)cc1)c1ccc(Br)cc1F 32708252 OAPPNGVMXPYSMQ-UHFFFAOYSA-N 421.266 3.242 0 40 HGAB CCCNS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1 32759708 LEQIVRPUBBAEFZ-UHFFFAOYSA-N 404.513 3.329 0 40 HGAB O=C(NCc1cccnc1-n1ccnc1)c1cn(-c2ccccc2)nc1-c1cccnc1 32778134 LMKGZBGMQWIADE-UHFFFAOYSA-N 421.464 3.445 0 40 HGAB CC(=O)N1c2ccccc2N=C(c2c(O)[nH]c(=O)sc2=O)C[C@@H]1c1ccc(C)o1 35622688 FMEHZMQZCDMMHU-OAHLLOKOSA-N 411.439 3.022 0 40 HGAB COc1ccc2cc(C(=O)N3CCN(CC(=O)N4CCCCCC4)CC3)ccc2c1 36384835 AFQPXFWQHHGWGW-UHFFFAOYSA-N 409.530 3.009 0 40 HGAB COc1cccc(C(=O)N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)c1OC 40081514 QQFYBZUJBLGPOK-UHFFFAOYSA-N 422.403 3.321 0 40 HGAB Cc1oc2ncn(C)c(=O)c2c1C(=O)N1CCCc2cc(OC(F)(F)F)ccc21 40090430 INFUOZIPGKJEOB-UHFFFAOYSA-N 407.348 3.327 0 40 HGAB Cc1cc(N2CCOCC2)ccc1NC(=O)NCCc1cc(F)cc2c1OCOC2 40120412 ISZRMGSHEOWTRN-UHFFFAOYSA-N 415.465 3.201 0 40 HGAB COc1ccc(NC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1S(=O)(=O)N(C)C 40141353 JVSNNWYGJBTMIH-VXGBXAGGSA-N 408.442 3.253 0 40 HGAB O=C(/C=C/c1c(Cl)cccc1Cl)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 40160470 YPFOEOBUVVHETM-HYLRALAJSA-N 418.342 3.201 0 40 HGAB COc1ccc(Cn2ccc3nc4ncnn4c(-c4cccc(OC)c4)c3c2=O)cc1 40398266 UFZOACKCMLDHTN-UHFFFAOYSA-N 413.437 3.172 0 40 HGAB CCOc1cccc(CNC(=O)[C@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)c1 44880167 ROQAQGVTQVYPSW-AWEZNQCLSA-N 410.923 3.210 0 40 HGAB O=C(Nc1ccc2oc(=O)[nH]c2c1)[C@@H]1CCCN(c2ncccc2C(F)(F)F)C1 47079402 KLMDMNLYRSNOQG-LLVKDONJSA-N 406.364 3.390 0 40 HGAB CC[C@H](C)C(=O)Nc1cccc(CNC(=O)CCN2C(=O)COc3ccccc32)c1 48362615 ONTUMJPXDPKIKI-INIZCTEOSA-N 409.486 3.103 0 40 HGAB Cc1nc(C2(NC(=O)CCC(=O)N3CCc4sccc4C3)CCCCC2)no1 55099588 INXPWOZFVMLMBN-UHFFFAOYSA-N 402.520 3.080 0 40 HGAB CCSc1ccccc1NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 55703778 OZFFZFFSNVQXSV-UHFFFAOYSA-N 406.529 3.072 0 40 HGAB CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)Nc1ccc(N(C)C)cn1 58050340 CYMROEXNTRSEEK-INIZCTEOSA-N 406.939 3.291 0 40 HGAB C[C@H](NC(=O)c1cnn2c(-c3ccccc3)ccnc12)c1ccc(S(C)(=O)=O)cc1 58378086 UAJGRYWROBSGKL-HNNXBMFYSA-N 420.494 3.291 0 40 HGAB Cc1c(C(=O)NC2CC2)nnn1-c1cccc2c1CCN(Cc1ccc(F)cc1)C2 69947224 BJJFLXDDYCEMMV-UHFFFAOYSA-N 405.477 3.165 0 40 HGAB COc1ccc(CC(=O)N2CCC[C@@H](c3cc(C(=O)NC4CCCC4)[nH]n3)C2)cc1 72380687 RJFBVMFZRTYLAH-QGZVFWFLSA-N 410.518 3.039 0 40 HGAB O=C(Nc1nc2c(s1)CN(C(=O)c1ccc(Cl)s1)CC2)c1cnccn1 77196270 BQEMYEQDDPAWKH-UHFFFAOYSA-N 405.892 3.099 0 40 HGAB COc1ccc(C(=O)NC[C@@H]2CC(=O)N(CCc3ccccc3)C2)cc1OC(F)F 79056358 RFKKEFWMBLCDJD-INIZCTEOSA-N 418.440 3.118 0 40 HGAB CC[C@]1(C)NC(=O)N(CC(=O)Oc2ccc3cc(Br)ccc3c2)C1=O 84734966 IIHMUVSZBBBKFV-SFHVURJKSA-N 405.248 3.228 0 40 HGAB COc1c(NC(=O)C[C@](O)(c2nc3ccccc3s2)C(F)(F)F)c(C)nn1C 95465651 DQZAHKFPDUVMKL-INIZCTEOSA-N 414.409 3.126 0 40 HGAB COC(=O)C1=C(C)Nc2nc(SC)[nH]c(=O)c2[C@H]1c1cccc(Br)c1 100821659 MZHPKHISZVPKJM-LBPRGKRZSA-N 422.304 3.259 0 40 HGAB CCOC(=O)[C@@H]1C(=O)C[C@@](C)(O)[C@H](C(=O)OCC)[C@@H]1c1ccc(C(C)(C)C)cc1 101998685 WQOSIFNKORDPQG-CROMWVBPSA-N 404.503 3.150 0 40 HGAB Cc1nc(SCC(=O)N2CCC(C(N)=O)CC2)n([C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c1C 104814668 RCIJVJASQCQXMH-NEPXVJNWSA-N 418.607 3.313 0 40 HGAB O=C(N[C@@H]1CCN(c2ccc(C(F)(F)F)cn2)C1)c1cc2ccccc2oc1=O 206786264 CSKPHNUDFSOKHM-CQSZACIVSA-N 403.360 3.216 0 40 HGAB COc1cccc(N([C@H](C)C(=O)N[C@@H]2CCCc3ccccc32)S(C)(=O)=O)c1 220181980 FVCMKGJRQPDVES-FOIQADDNSA-N 402.516 3.044 0 40 HGAB CC[C@@H](C(=O)NCCCc1ccc(F)cc1)N(c1cccc(OC)c1)S(C)(=O)=O 220626559 KZXZSHDUTURDFL-FQEVSTJZSA-N 422.522 3.128 0 40 HGAB CC[C@@H](C(=O)N[C@@H](C)c1ccc(OC)cc1)N(c1cccc(OC)c1)S(C)(=O)=O 220630670 AFEBDUFPSLTSLS-YWZLYKJASA-N 420.531 3.126 0 40 HGAB Cc1ccc(OC[C@H](C)NC(=O)c2cc(N(C)S(C)(=O)=O)ccc2Cl)cc1 222505192 JRAVKLIACKLNRO-AWEZNQCLSA-N 410.923 3.242 0 40 HGAB O=C(O)c1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCO)o2)cc1 223593659 WIUSCOLMUQPMSH-OALUTQOASA-N 409.467 3.005 0 40 HGAB COc1ccc(Cl)cc1N(CC(=O)O)S(=O)(=O)c1ccc(SC)cc1 224983023 GXMUCYPDNBLPKY-UHFFFAOYSA-N 401.893 3.350 0 40 HGAB COc1ccc(S(=O)(=O)Nc2ccc3ccccc3c2)cc1N1C(=O)CCC1=O 225080733 JMJKESVPDVLYJJ-UHFFFAOYSA-N 410.451 3.303 0 40 HGAB Cc1ccccc1CSCCNS(=O)(=O)c1ccc2c(c1)sc(=O)n2C 225674260 CBKFOUHGLMMPGI-UHFFFAOYSA-N 408.570 3.120 0 40 HGAB COc1cccc(CNC(=O)[C@H]2C[C@H]3CC[C@H]2C[C@]32NC(=O)c3ccccc3O2)c1 247891949 MUUUQLQTIJADFU-SKYHNFRHSA-N 406.482 3.266 0 40 HGAB O=C(N[C@@H]1C[C@H]2CC[C@H]1C2)C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1 250117115 OAEYOIFYYGQVGM-UCLAIMLFSA-N 410.967 3.187 0 40 HGAB CO[C@H]1CN(CC(=O)Nc2nc(-c3ccc(F)cc3)c(C)s2)CC[C@]12CCCO2 257238041 HJIXAHIEYIXQGH-LAUBAEHRSA-N 419.522 3.466 0 40 HGAB Cc1cnc(C(=O)N2Cc3ccccc3[C@H](c3nccn3Cc3cccnc3)C2)cn1 306142348 WWMYNIZFMPIHHB-OAQYLSRUSA-N 410.481 3.213 0 40 HGAB COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H](C(=O)N2CCCCCC2)C1 408596556 WSAZWEOAHVUKDW-HNNXBMFYSA-N 414.955 3.152 0 40 HGAB CCNC(=O)c1cc(S(=O)(=O)Nc2cc(OC)c(Cl)cc2OC)ccc1C 408616760 AWPBMDIWXMVSOL-UHFFFAOYSA-N 412.895 3.216 0 40 HGAB Cc1nnc(NC(=O)CCC(=O)OCC(=O)Nc2ccc(Cl)c(Cl)c2)s1 408682020 FVKBNLBIVUSMQF-UHFFFAOYSA-N 417.274 3.054 0 40 HGAB COc1ccc(OC)c(/C=C2\SC(=O)N(CC(=O)N3CCCC[C@@H]3C)C2=O)c1 409199870 FJRWOKXNRIVORS-MFVBVHDHSA-N 404.488 3.141 0 40 HGAB CCN(CC)C(=O)COc1ccc(S(=O)(=O)NC2CCCCC2)cc1Cl 409343826 FOQYEUBCBUCMBF-UHFFFAOYSA-N 402.944 3.198 0 40 HGAB Cc1nc([C@@H]2CCCN2C(=O)[C@@H]2CCCN(c3ncccc3C(F)(F)F)C2)no1 608175494 QWQDOCCSWCHBHO-HIFRSBDPSA-N 409.412 3.372 0 40 HGAB COc1cc(OC)cc(C(=O)N2C[C@@H]3CN(c4ccc(C(F)(F)F)cn4)C[C@@H]3C2)c1 1888868578 JUUOKZHFLVPTCN-GASCZTMLSA-N 421.419 3.326 0 40 HGAB O=C([C@H]1CCCN(c2ncc(Br)cc2F)C1)N1CCC(F)(F)CC1 2298047677 MPKDZJYJIDODFL-NSHDSACASA-N 406.246 3.457 0 40 HGAB COC(=O)c1c(NC(=O)COc2cc(C)cc(C)c2)sc2c1[C@H](C(=O)OC)CC2 729948 NBLABCGSBQVZSZ-CQSZACIVSA-N 417.483 3.372 0 40 HGAB CCOC(=O)C1=C(c2ccccc2)Nc2ncnn2[C@@H]1c1ccc(OC)c(OC)c1 803077 ZYGSFXBOLHVHGZ-HXUWFJFHSA-N 406.442 3.285 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)OC(C)(C)O3)cc1 1087827 RQROGWZHRLFZRE-UHFFFAOYSA-N 404.488 3.477 0 40 HGAB CCn1c(Cc2ccc3c(c2)OCO3)nnc1SCC(=O)N1[C@@H](C)CCC[C@H]1C 1325516 AMGNBMRUKUPDEO-GASCZTMLSA-N 416.547 3.499 0 40 HGAB COc1ccc(COC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1 1398508 QBQHJVSZCKYVQV-UHFFFAOYSA-N 417.405 3.223 0 40 HGAB COC(=O)c1sc2cc(NC(=S)NC(=O)c3ccnn3C)ccc2c1Cl 2740902 RVWPGIBPKRSOJG-UHFFFAOYSA-N 408.892 3.202 0 40 HGAB CCS(=O)(=O)c1ccc2oc(SCC(=O)Nc3ccc(OC)cc3)nc2c1 3252762 QIQVYRIXCFLXFM-UHFFFAOYSA-N 406.485 3.361 0 40 HGAB COCCn1c(SCC(=O)N2c3ccccc3C[C@@H]2C)nnc1-c1ccncc1 3292870 QWQTWJAWHODJIW-HNNXBMFYSA-N 409.515 3.056 0 40 HGAB Cc1cc(C)c(OCC(=O)N(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)c(C)c1 4183443 HHWXDFLUAABZCP-KRWDZBQOSA-N 407.557 3.268 0 40 HGAB CCCc1cc(=O)[nH]c2nnc(SCC(=O)Nc3cccc(C(F)(F)F)c3)n12 4250326 DYMOGWFXJAXTFX-UHFFFAOYSA-N 411.409 3.120 0 40 HGAB Cc1cc(O[C@H](C)C(=O)NCCCO)c2c(C)c(Cc3ccccc3)c(=O)oc2c1 5350189 IDJLOTSQTTUAKN-QGZVFWFLSA-N 409.482 3.267 0 40 HGAB CCCCc1cc(=O)oc2cc(OCC(=O)N[C@H](Cc3ccccc3)C(=O)O)ccc12 6273979 ZSYSVZDAQKHYJN-HXUWFJFHSA-N 423.465 3.327 0 40 HGAB biogenic Cn1cnnc1SCC(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1 7077408 UBRWSYJGDMTLMC-UHFFFAOYSA-N 401.879 3.452 0 40 HGAB COc1cc(S(=O)(=O)Nc2ccc(I)cc2)ccc1F 7361188 OIISRRAQLYORBE-UHFFFAOYSA-N 407.204 3.240 0 40 HGAB CN(CC(=O)Nc1ccc(N2CCCCCC2)cc1)S(=O)(=O)c1cccs1 8192009 NQVKNMJVIDHEGX-UHFFFAOYSA-N 407.561 3.388 0 40 HGAB CCOc1ccc(NC(=O)c2ccc(OC)cc2)cc1S(=O)(=O)N1CCCC1 8262883 PCRUQXZWXAXNPN-UHFFFAOYSA-N 404.488 3.131 0 40 HGAB COc1ccccc1NS(=O)(=O)c1cc(C(=O)NCc2ccccn2)ccc1C 8289974 ICAUQXVDYVYQBI-UHFFFAOYSA-N 411.483 3.129 0 40 HGAB CCCC[C@H](C(=O)OCC(=O)N[C@H](C)c1ccccc1)N1C(=O)c2ccccc2C1=O 8411240 PGAYRUMFXQWMAE-OXQOHEQNSA-N 422.481 3.262 0 40 HGAB COC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=O)N(C4CCCC4)C3=O)o2)cc1 8477279 RWMKRNQXXWIAIG-SFQUDFHCSA-N 408.410 3.138 0 40 HGAB CC(C)(C)OC(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCC1CCC(C(=O)O)CC1 8556895 DANDKJUNCIVIIX-LADRWXRNSA-N 416.518 3.356 0 40 HGAB COc1cc(NC(=O)NCCS(=O)(=O)c2c(C)[nH]c3ccccc23)cc(OC)c1 8923990 XVSMGGMYQDIMRJ-UHFFFAOYSA-N 417.487 3.089 0 40 HGAB O=C(Nc1nc2c(s1)CCC[C@H]2C(=O)N1CCOCC1)c1ccc(Cl)cc1 9072847 UNEOHEBVYGOJEJ-CQSZACIVSA-N 405.907 3.328 0 40 HGAB COc1ccc(NC(=O)[C@H]2Sc3nnc(C)n3N[C@@H]2c2ccc(OC)cc2)cc1 9236773 ZUMKIAKVGLWTOR-MSOLQXFVSA-N 411.487 3.002 0 40 HGAB COc1cccc(NC(=O)Cc2csc(NC(=O)c3ccc4c(c3)OCO4)n2)c1 9659287 VAZZNXRPPNUFJP-UHFFFAOYSA-N 411.439 3.314 0 40 HGAB O=C(Cc1csc(NS(=O)(=O)c2ccccc2)n1)NCc1ccc(Cl)cc1 9828693 HCFPMOCKEZYXEC-UHFFFAOYSA-N 421.931 3.456 0 40 HGAB COC(=O)[C@@H]1CN(C(=O)CN(C)Cc2ccc(Cl)cc2Cl)c2ccccc2O1 11222981 YXWKZBNRHUEQRE-SFHVURJKSA-N 423.296 3.392 0 40 HGAB O=C(NCCn1nc(-c2cccnc2)ccc1=O)Nc1cccc(C(F)(F)F)c1 11744374 MYZFMMSXLGOJHK-UHFFFAOYSA-N 403.364 3.146 0 40 HGAB CN(C)c1ncc(-c2ccccn2)c(CN(Cc2ccccc2)C(=O)c2cc[nH]n2)n1 12087586 ILJHLKRKJKCEFV-UHFFFAOYSA-N 413.485 3.170 0 40 HGAB Cc1cc(-c2cnc(N3CCN(c4ncccn4)CC3)nc2-c2cccs2)on1 12154337 BWNSIAUNAVOQPE-UHFFFAOYSA-N 405.487 3.285 0 40 HGAB COc1ccc(CC[C@H](C)N2C[C@H]3C(=O)Nc4ccccc4C(=O)N[C@@]3(C)C2)cc1 12231774 JCUNPTDUKFRLKK-YFBXQHAESA-N 407.514 3.089 0 40 HGAB CCSc1nnc(NC(=O)CSc2nnnn2-c2ccccc2Cl)s1 12293258 ZRIVYRQNQWDDSE-UHFFFAOYSA-N 413.941 3.010 0 40 HGAB CCOC(=O)C(=O)Nc1cc(C)nn1-c1nc(-c2ccc(OCC)cc2)cs1 12442209 NDOUABHWXGPLQX-UHFFFAOYSA-N 400.460 3.205 0 40 HGAB COC(=O)c1n[nH]c2ccc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)cc12 12520067 UDSVVAHMMUZDOG-UHFFFAOYSA-N 400.243 3.457 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(Br)c(C(=O)Nc2ccncc2)c1 12741604 PSUGTAMPCOZKQA-UHFFFAOYSA-N 412.309 3.127 0 40 HGAB O=C(c1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 12769325 DZHDQFCYZXRVDK-UHFFFAOYSA-N 418.946 3.366 0 40 HGAB C[C@@H](NC(=O)C1CC1)C(=O)NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 12985607 QFQIUPFTHWAQHW-OAHLLOKOSA-N 406.461 3.209 0 40 HGAB O=C(CCSc1ccccc1)N1CCN(c2ccc(-c3ccccn3)nn2)CC1 13528630 DDQJFDSRZVVFFI-UHFFFAOYSA-N 405.527 3.370 0 40 HGAB CCS(=O)(=O)N1C[C@H](C(=O)Nc2cccc(OC(C)C)c2)Oc2ccccc21 13680074 YYPFFPIPIXADBN-LJQANCHMSA-N 404.488 3.030 0 40 HGAB CC(C)c1ccc(S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 13947518 LQEDBMGCDYOLPQ-UHFFFAOYSA-N 402.516 3.045 0 40 HGAB CN1CC(=O)N(CC(=O)Nc2ccc(Oc3ccc(Br)cc3)cc2)C1=O 14242574 KZGWQUBTNWSRTP-UHFFFAOYSA-N 418.247 3.074 0 40 HGAB COc1ccc(-c2nc3n(n2)[C@@H](C(=O)Nc2cccc(Cl)c2C)CC(=O)N3)cc1 14607341 CYNUUFGWGDHAML-MRXNPFEDSA-N 411.849 3.438 0 40 HGAB COc1cc(NS(=O)(=O)c2ccc3c(c2)CCCN3C(C)=O)c(OC)cc1Cl 15245931 POCVGBOENGHNGK-UHFFFAOYSA-N 424.906 3.457 0 40 HGAB COc1ccc(C(=O)N2c3ccccc3C[C@@H]2C)cc1S(=O)(=O)N1CCCC1 16022766 JVXNEKLYMILLLG-HNNXBMFYSA-N 400.500 3.071 0 40 HGAB O=C(OCC(=O)c1ccc(Cl)cc1Cl)c1ccc(N2C(=O)C=CC2=O)cc1 17082797 KBOILBASLUCIMV-UHFFFAOYSA-N 404.205 3.463 0 40 HGAB COCCOc1ccc(CN2C[C@H]3CC[C@](O)(c4ccc(C)cn4)[C@H]3C2)cc1OC 19216116 GJWTYMAJSPJFAM-JXALWOEJSA-N 412.530 3.153 0 40 HGAB O=c1ccc2cc(S(=O)(=O)N3CCC[C@H](COc4ccc(F)cc4)C3)ccc2o1 19335862 ZJAHRVIKIGELKP-HNNXBMFYSA-N 417.458 3.412 0 40 HGAB O=C(Cc1cccc(Cl)c1)N1CCC(c2cc(=O)[nH]c(-c3ccccn3)n2)CC1 19402892 VYLJYFZUKSOQMD-UHFFFAOYSA-N 408.889 3.434 0 40 HGAB CCc1nccn1[C@H](C)C(=O)N1CCC(c2ccc(C(=O)NC3CCCC3)cn2)CC1 19708422 ZVVMBIBGOQDGBF-QGZVFWFLSA-N 423.561 3.480 0 40 HGAB CC(=O)N1CCC[C@H]1c1nc(CN(C)C(=O)c2cc3ccccc3o2)cc(N(C)C)n1 19759916 FKMKCGIFYZWXMK-SFHVURJKSA-N 421.501 3.244 0 40 HGAB CCOC(=O)[C@@H]1C(=O)N(CCCOC)c2nc3ccccc3n2[C@H]1c1cccs1 19818343 QRKXYFWLIXHTCD-ROUUACIJSA-N 413.499 3.250 0 40 HGAB CCN(CC)C(=O)C[C@H](c1ccc(OC)cc1)N(C)S(=O)(=O)c1ccccc1 19936121 OEHRQFSMICDRJH-HXUWFJFHSA-N 404.532 3.316 0 40 HGAB CCCCNS(=O)(=O)c1ccc(OCC(=O)N[C@H](C)c2ccccc2OC)cc1 20020829 ZHUNEBUNJJOACA-MRXNPFEDSA-N 420.531 3.030 0 40 HGAB CNS(=O)(=O)c1cc(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)ccc1OC 20024767 SXFMNDFSMVGFQF-UHFFFAOYSA-N 406.357 3.014 0 40 HGAB Cc1cc(C)n(-c2nc(NCCN3CCOCC3)c3c4c(sc3n2)CCCC4)n1 20478717 IGIUAVWCHVEWHH-UHFFFAOYSA-N 412.563 3.117 0 40 HGAB CCCCOc1ccc(C(=O)NCC(=O)O[C@H](C)C(=O)N(C(C)C)C(C)C)cc1 21602731 OPEZMCAGBNCMBT-QGZVFWFLSA-N 406.523 3.172 0 40 HGAB Cn1c(=O)c2ccccc2n2c(COC(=O)c3cc4c(s3)CCCCC4)nnc12 21989309 OTQAWRWSVPODQO-UHFFFAOYSA-N 408.483 3.269 0 40 HGAB CC(C)NS(=O)(=O)c1ccc(CCNC(=O)c2ccccc2C(F)(F)F)cc1 22227377 FCOJJPKBKRTVIF-UHFFFAOYSA-N 414.449 3.365 0 40 HGAB C[C@H]1C[C@H](C)CN(Cc2csc(NC(=O)CCNC(=O)Cc3ccccc3)n2)C1 22296907 XULCDMNTADFIOL-IRXDYDNUSA-N 414.575 3.309 0 40 HGAB CCN(C(=O)CN1CCN(CC(=O)Nc2cccc(C)c2C)CC1)C1CCCCC1 26881917 STDVVWLIVUMVDQ-UHFFFAOYSA-N 414.594 3.041 0 40 HGAB NC(=O)Cc1ccc(NC(=O)c2cnn(-c3ccccc3F)c2-n2cccc2)cc1 32044984 SBCMQKSMJATMBY-UHFFFAOYSA-N 403.417 3.082 0 40 HGAB Cc1nn(-c2ccccc2)c(C)c1CNC(=O)C1CCN(C(=O)c2ccco2)CC1 32744824 DQHYHQBTATWNHJ-UHFFFAOYSA-N 406.486 3.251 0 40 HGAB Cc1cc(N2CCN(CC(=O)NCc3cccc(Cl)c3)CC2)nc(C(C)C)n1 32797358 OGXGBCMTFHIBSX-UHFFFAOYSA-N 401.942 3.000 0 40 HGAB COc1ccc(C)cc1[C@@H](C)NC(=O)c1cc(S(=O)(=O)NC2CC2)ccc1C 32868822 ZTRBZTWWLQKQRP-OAHLLOKOSA-N 402.516 3.244 0 40 HGAB COC(=O)c1ccc(CNC(=O)[C@H](C)Sc2nc3ncc(Cl)cc3[nH]2)cc1 32878915 YBRMGIOWBYSRCH-JTQLQIEISA-N 404.879 3.195 0 40 HGAB C[C@@H]1CCCN(c2nnc(S[C@@H](C(N)=O)c3ccccc3)n2Cc2ccco2)C1 32883928 RDKBTNCGZXYGAZ-CRAIPNDOSA-N 411.531 3.474 0 40 HGAB COC(=O)[C@H](c1ccccc1Cl)N1CCN(C(=O)c2cccnc2SC)CC1 32942463 FRNCLCPBWCPYET-KRWDZBQOSA-N 419.934 3.129 0 40 HGAB COc1cc(OC)nc(O[C@@H](C(=O)O)[C@@](C)(Oc2ccccc2)c2ccccc2)n1 34526369 ZEIQFLAUJKHOLJ-UGKGYDQZSA-N 410.426 3.320 0 40 HGAB in-vitro CC(=O)N(C)Cc1cccc(NC(=O)NCCc2cc(F)cc3c2OCOC3)c1 40120415 IELJIHJRSGMOKS-UHFFFAOYSA-N 401.438 3.035 0 40 HGAB C[C@@H](CNC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1)CN1CCCCC1 40157529 HSHRCNJVLDUIPL-SFHVURJKSA-N 415.559 3.339 0 40 HGAB CCOc1ccc(-c2ccc(=O)n(CCC(=O)NCc3cccc(OC)c3)n2)cc1 41254346 SZTBRAYFKOSDGL-UHFFFAOYSA-N 407.470 3.024 0 40 HGAB COCCNC(=O)c1cc2cc(N(C)S(=O)(=O)c3ccc(C)cc3)ccc2s1 46058600 JVQNPLWWQMHBMS-UHFFFAOYSA-N 418.540 3.411 0 40 HGAB CCc1ccc(NS(=O)(=O)c2cccnc2N2CCN(c3ccccn3)CC2)cc1 49402325 XBYBKNXLGDNWFE-UHFFFAOYSA-N 423.542 3.166 0 40 HGAB Cc1nn2c(=O)c3c(cc(C)n3CC(=O)Nc3ccc(F)c(Cl)c3)nc2s1 49411362 CPPLLQBEOBQLGG-UHFFFAOYSA-N 405.842 3.154 0 40 HGAB Cc1cccc(NC(=O)Cn2c(=O)n(Cc3ccccc3F)c(=O)c3sccc32)c1 57426743 TYTWTUQQSNCWCY-UHFFFAOYSA-N 423.469 3.359 0 40 HGAB C[C@@H](c1nc(N)nc(Nc2ccccc2)n1)N1CCC(NC(=O)c2ccccc2)CC1 57703940 GCDYBJVUQVYABO-INIZCTEOSA-N 417.517 3.153 0 40 HGAB CCN(CC)CCOc1ccccc1CNC(=O)c1ccc(N2CCNC2=O)c(C)c1 58066153 VFGVGRLLSUJQCW-UHFFFAOYSA-N 424.545 3.175 0 40 HGAB C[C@H]1CN([C@H](CNC(=O)c2ccc3c(c2)OCO3)c2c(F)cccc2Cl)CCO1 60453591 UGCWVCYETOGIGV-SUMWQHHRSA-N 420.868 3.400 0 40 HGAB COc1ccc(-c2csc3ncc(C(=O)NCc4ccccc4OC)c(=O)n23)cc1 61720336 MROJAVBMFURARY-UHFFFAOYSA-N 421.478 3.370 0 40 HGAB CC(=O)c1ccc(N2CCN(C(=O)c3csc(Nc4ccccn4)n3)CC2)cc1 62022544 CUCAKDNWIMENTM-UHFFFAOYSA-N 407.499 3.447 0 40 HGAB Cc1ccc(NC(=O)Cn2ccn3nc(-c4ccc5c(c4)OCO5)cc3c2=O)c(C)c1 64591361 XBEDJRDZOISCJO-UHFFFAOYSA-N 416.437 3.147 0 40 HGAB CCNC(=O)N1CCc2c(cccc2-n2nnc(C(=O)Nc3cccc(F)c3)c2C)C1 71889508 JEYYNKIXBFCUQB-UHFFFAOYSA-N 422.464 3.055 0 40 HGAB C[C@H]1Oc2ccccc2N(CCC(=O)N(Cc2cccs2)C[C@H]2CCCO2)C1=O 78958534 RDHXDSHHVVTDDH-IAGOWNOFSA-N 414.527 3.460 0 40 HGAB C[C@@H](OC(=O)CCn1c(=O)oc2ccccc21)[C@H]1CCCN1C(=O)OC(C)(C)C 84636477 HNPJULNIDANCJT-HUUCEWRRSA-N 404.463 3.316 0 40 HGAB COc1ccc(C(=O)NC(=S)Nc2cc(C(=O)O)ccc2Br)cc1 85342842 ZTCZXNIAUDGVSU-UHFFFAOYSA-N 409.261 3.283 0 40 HGAB CN(CC(=O)Nc1cccc(CSc2ccccn2)c1)C1(CCO)CCOCC1 95995985 ZAIYARUOXWKPFR-UHFFFAOYSA-N 415.559 3.176 0 40 HGAB COc1ccc(-c2nn(CCCC(=O)NCc3ccccc3)c(=O)cc2OC)cc1 96100934 SQNHGSLTSXYGCU-UHFFFAOYSA-N 407.470 3.024 0 40 HGAB Cc1nc(C)c(CC(=O)NC[C@H]2CC[C@H](c3nnc(-c4cnccn4)o3)CC2)s1 100156110 VDADQIFZGDHLNT-GASCZTMLSA-N 412.519 3.233 0 40 HGAB O=Cc1ccc(OC(=O)c2ccc(N3C(=O)[C@H]4[C@@H]5C=C[C@@H]([C@H]6C[C@H]56)[C@@H]4C3=O)cc2)cc1 102139457 VFBIPGBKNXVZSJ-HJEMKOJISA-N 413.429 3.276 0 40 HGAB Cn1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(N2CCOCC2)cc1 209940674 MOKSOAIPDXZDHH-YADHBBJMSA-N 419.554 3.434 0 40 HGAB COC[C@@H](C)NC(=O)/C(=C/c1c[nH]c2ccc(OC)cc12)NC(=O)c1ccccc1 215700274 YVQOYUQCUBBWOZ-ZGFXFUDXSA-N 407.470 3.099 0 40 HGAB O=C(O)c1cc(S(=O)(=O)NC[C@H]2CCCO2)ccc1NCCC1=CCCCC1 217631525 OQWIBLTWAMTBPL-MRXNPFEDSA-N 408.520 3.145 0 40 HGAB CC[C@H](NC(=O)CN(c1cccc(SC)c1)S(C)(=O)=O)c1ccc(OC)cc1 220074296 WICJGSATEAKMCU-IBGZPJMESA-N 422.572 3.451 0 40 HGAB Cc1ccc(-c2nnc(NC(=O)c3cccc(N(C)S(C)(=O)=O)c3)s2)cc1 223477178 ZACPKOWPAZQUQM-UHFFFAOYSA-N 402.501 3.162 0 40 HGAB COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1Cc1ccco1 223684083 CDHISNCSQCJTMV-WOJBJXKFSA-N 410.499 3.060 0 40 HGAB C[C@H](NC(=O)[C@H](C)N1CC[C@]2(CCC1=O)CC(=O)c1ccccc1O2)c1ccccn1 253374649 NBVMTLWGBWFSHP-WOGXIUBCSA-N 421.497 3.064 0 40 HGAB COCCOc1cccc(CN2CCO[C@H](c3ccc(Nc4ncccn4)cn3)C2)c1 257227280 FOMCOVQBFYQTSH-QFIPXVFZSA-N 421.501 3.214 0 40 HGAB CC(C)c1nc2ccccc2n1CCCC(=O)N1CC[C@H](O)[C@@H](n2ccnc2)CC1 257230852 GEEHRNZGHYNKKN-SFTDATJTSA-N 409.534 3.361 0 40 HGAB CN(CC(=O)N1CCC[C@@H](c2ncc(Cc3ccccc3)o2)C1)Cc1ccccn1 257307308 SYDBJEFGGODYLU-HXUWFJFHSA-N 404.514 3.498 0 40 HGAB CC[C@H](C(=O)N[C@H](C)c1ccccc1OC)N(c1cccc(OC)c1)S(C)(=O)=O 260790523 CJUJGRFOZNMFJN-DNVCBOLYSA-N 420.531 3.126 0 40 HGAB O=C(c1cc(-c2ccccc2)on1)N1CC[C@@H](c2ccccc2F)S(=O)(=O)CC1 390828948 CIPQCYOPVYNRSD-FQEVSTJZSA-N 414.458 3.483 0 40 HGAB COc1ccc2c(c1)CC[C@H]([C@]1(O)C(=O)Nc3ccc(Br)cc31)C2=O 408569727 XGBICLBBSXZZKA-IFXJQAMLSA-N 402.244 3.043 0 40 HGAB CCS(=O)(=O)N(CC(=O)Nc1c(C)cc(C)cc1C)c1ccc2c(c1)OCCO2 408702061 AQGONJCPCXKERW-UHFFFAOYSA-N 418.515 3.178 0 40 HGAB CCOCCCNC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(SC)cc2)cc1 408702824 OWGYLIKCFDTDOZ-UHFFFAOYSA-N 422.572 3.390 0 40 HGAB Cc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)cc1C 409130567 IAPQPLAJZGSYHQ-OAHLLOKOSA-N 400.862 3.492 0 40 HGAB COc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCC[C@H]3C)C2=O)cc(Cl)c1O 409212788 QNBVTUILHXFYSW-PDICVPPASA-N 424.906 3.492 0 40 HGAB COCCN(C(=O)c1csc(-c2ccc(C(C)C)cc2)n1)[C@@H]1CCS(=O)(=O)C1 521265487 DPJPSETYLMFODP-QGZVFWFLSA-N 422.572 3.209 0 40 HGAB O=C1N[C@@H](CC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)C(=O)Nc2ccccc21 524733337 IUAJZZYNLKGNAM-DLBZAZTESA-N 420.494 3.101 0 40 HGAB O=C(Nc1cccc2c1CN(c1ccccn1)C2)N1CCC[C@@H](Cn2ccnn2)C1 535326315 KAWNUWUMYSTVFI-QGZVFWFLSA-N 403.490 3.137 0 40 HGAB Cc1ccc(CC(=O)N2C[C@]3(CCCN(CC4CC4)C3=O)C[C@H]2c2cn(C)cn2)cc1 585106490 VZEWFIMWZYXMHE-DHLKQENFSA-N 420.557 3.263 0 40 HGAB C[C@H](C(=O)Nc1c(-c2cccs2)nc2ccccn12)n1nc2c(cc1=O)CCC2 585150126 BIPXQHIVUQHINH-CYBMUJFWSA-N 405.483 3.308 0 40 HGAB Cc1csc(Nc2cc([C@H]3CCCCN3C(=O)/C=C/CN(C)C)nc(C)n2)n1 585291726 FJBWDIOXXVTRJQ-UGAXZCSASA-N 400.552 3.465 0 40 HGAB CN([C@H]1CCN(c2ccccc2Cl)C1=O)S(=O)(=O)c1cccc2cnccc12 600779084 NLDRRYLVINDQEH-SFHVURJKSA-N 415.902 3.314 0 40 HGAB CC1CCN(Cc2ccc(NC(=O)[C@H]3CC(=O)N(C)[C@@H]3c3cccnc3)cc2)CC1 605401465 UZLQPTFLRNASLT-JTHBVZDNSA-N 406.530 3.472 0 40 HGAB C[C@H](NC(=O)Cc1ccc(-n2cnnc2)cc1)c1nc(-c2ccc(Cl)cc2)no1 1134107582 SIRPAOQIGXOTFM-ZDUSSCGKSA-N 408.849 3.391 0 40 HGAB COc1ccc(Cn2c([C@H]3CCCOC3)nnc2N2CCCC2)cc1OC(F)F 1697454676 WPYAIAGJUNOGOO-HNNXBMFYSA-N 408.449 3.431 0 40 HGAB CS(=O)(=O)c1ccc(CCC(=O)N2[C@H]3CC[C@H]2CC(n2cc(Cl)cn2)C3)cc1 1775975866 OTWRDSDTJPCBHS-IRXDYDNUSA-N 421.950 3.267 0 40 HGAB CN(C1=NS(=O)(=O)c2ccccc21)C1CCN(Cc2ccc(Cl)cc2)CC1 1888926482 ATFIAJOERPJXCU-UHFFFAOYSA-N 403.935 3.385 0 40 HGAB O=C(Cn1cnc2ccccc21)N1CC[C@H]2CN(c3cc(C(F)(F)F)ccn3)C[C@@H]21 2087162960 HKTKSDWALXBEIN-KSSFIOAISA-N 415.419 3.187 0 40 HGAB CC(=O)Nc1ccc(S(=O)(=O)N2CCC(n3cnc4cc(F)ccc43)CC2)cc1 1371030 LUQOFXNIKAEUIY-UHFFFAOYSA-N 416.478 3.160 0 40 HGAB O=C(CN1C(=O)N/C(=C\c2ccc(F)cc2)C1=O)Nc1ccccc1C(F)(F)F 2551710 CDAHHMYSKXWLQL-DHDCSXOGSA-N 407.323 3.376 0 40 HGAB CCOC(=O)c1c(-c2ccccc2)csc1N[C@@](O)(C(=O)OC)C(F)(F)F 3191254 LVGKAKZQYDZHTG-MRXNPFEDSA-N 403.378 3.428 0 40 HGAB Cc1cc(NC(=O)CSc2ccc3nnc(-c4ccc(Cl)cc4)n3n2)no1 4119076 DGQUBZJYXZYPCN-UHFFFAOYSA-N 400.851 3.472 0 40 HGAB CCOc1ccc([C@H]2[C@H](C(=O)OC(C)C)C(=O)C[C@@](C)(O)[C@@H]2C(=O)OC(C)C)cc1 4142657 UMLFZCYFMXRADE-FAKFISEUSA-N 420.502 3.028 0 40 HGAB COc1cccc(NC(=O)CSc2ncnc3c2nnn3-c2ccc(F)cc2)c1 4166683 YDBVWLFWWGDNLQ-UHFFFAOYSA-N 410.434 3.089 0 40 HGAB O=C(CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O)Nc1ccccc1C(F)(F)F 4285204 DHMGEQXLDPNDBK-HXUWFJFHSA-N 417.387 3.428 0 40 HGAB CCOc1ccc(CCNC(=O)COc2ccc3ccc(=O)oc3c2)cc1OCC 4435020 HSZWNPBMOFMZPD-UHFFFAOYSA-N 411.454 3.328 0 40 HGAB COc1cc(CNCCCN2CCOCC2)c(Br)cc1OC(C)C 4670857 NLPUFLVFMQDYHN-UHFFFAOYSA-N 401.345 3.057 0 40 HGAB CCc1ccc(N2C(=O)C[C@@H](c3cc(OC)c(O)c(OC)c3)C3=C2COC3=O)cc1 4944693 VWQIPRBABXLYBV-INIZCTEOSA-N 409.438 3.303 0 40 HGAB CCC(=O)Oc1c(OC)cc(/C=C2/N=C(c3cccc(OC)c3)OC2=O)cc1OC 5000714 YOSNFSKHQLSOKJ-CXUHLZMHSA-N 411.410 3.372 0 40 HGAB CCCNC(=O)CSc1nnc([C@@H](C)N2CCCCC2)n1-c1ccc(OC)cc1 5084813 VZWYQBIUECXXCG-MRXNPFEDSA-N 417.579 3.441 0 40 HGAB COc1cccc(Nc2nc(Nc3cccc(OC)c3)nc(N3CCOCC3)n2)c1 5255855 LJPUWFLUZDCESB-UHFFFAOYSA-N 408.462 3.213 0 40 HGAB O=C(Cn1nc(-c2cccc(Br)c2)ccc1=O)Nc1ccc(F)cc1 5388370 PUQYJDVYGIAORO-UHFFFAOYSA-N 402.223 3.451 0 40 HGAB CCN(CC)S(=O)(=O)c1cccc(C(=O)N(c2ccccn2)c2ccccn2)c1 6244435 ILMDCUXQGNRLDO-UHFFFAOYSA-N 410.499 3.486 0 40 HGAB Brc1cc2c(cc1CSc1nnnn1-c1ccccc1)OCCO2 7339908 LBPIXCYNLHWIQR-UHFFFAOYSA-N 405.277 3.488 0 40 HGAB COc1cc(C(=O)OCc2nc(N)nc(Nc3ccccc3)n2)ccc1OC(F)F 9127168 CQLSTQZGMLJAQZ-UHFFFAOYSA-N 417.372 3.164 0 40 HGAB COc1ccc2c(c1)CCC[C@@]21NC(=O)N(Cc2cc(OC)c(OC)cc2C)C1=O 9609638 KQJUXHSKPCBZHI-HSZRJFAPSA-N 410.470 3.304 0 40 HGAB O=C1COc2ccc(C(=O)COC(=O)c3ncc(Cl)c(Cl)c3Cl)cc2N1 9644606 RQMCDXDMVRGFBJ-UHFFFAOYSA-N 415.616 3.412 0 40 HGAB COc1ccc(Cl)cc1C(=O)NCCn1nc(-c2ccc(F)cc2)ccc1=O 9660908 XGWWKJHSDIOXEL-UHFFFAOYSA-N 401.825 3.141 0 40 HGAB Cc1ccc(Cn2c(=O)c3c(nc4oc(-c5ccc(F)cc5)cn43)n(C)c2=O)cc1 9789684 FIKZCMGVDRXRQF-UHFFFAOYSA-N 404.401 3.104 0 40 HGAB CN(C)CCN(C(=O)[C@@H]1COc2ccccc2O1)c1nc2c(F)cc(F)cc2s1 10066367 ZUEOQVRZCXWWBS-INIZCTEOSA-N 419.453 3.309 0 40 HGAB C[C@H](NC(=O)c1cccc(N2CCCS2(=O)=O)c1)c1ccccc1Br 10139928 IIYRBVVVRXAJRT-ZDUSSCGKSA-N 423.332 3.480 0 40 HGAB COc1cc(NC(=O)c2cccc(N3CCCS3(=O)=O)c2)c(OC)cc1Cl 10430900 UIKXJENKFWJTAP-UHFFFAOYSA-N 410.879 3.149 0 40 HGAB Cc1ncc(-c2ccncc2)c([C@@H]2CCCN(CC(=O)NCc3cccs3)C2)n1 12118568 MGVKPPQDJZAHIM-GOSISDBHSA-N 407.543 3.404 0 40 HGAB C[C@H](NC(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1)c1ccc(Cl)cc1 12783981 LHYFDRGQCOXOGD-KSSFIOAISA-N 422.934 3.288 0 40 HGAB COc1ccc(-c2csc3nc(C)nc(N[C@H]4CCS(=O)(=O)C4)c23)cc1OC 12803463 JODZYLBDHMNZMW-ZDUSSCGKSA-N 419.528 3.283 0 40 HGAB Cc1ccc(NC(=O)CSCC(=O)N(C)CC(=O)Nc2c(C)cccc2C)cc1 12852910 NPVSLJWMYHKLHQ-UHFFFAOYSA-N 413.543 3.381 0 40 HGAB COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)/C=C/c1ccc([C@@H]2C[C@@H]2C)o1 12927422 MQOBEBPEQRMDQR-RWLRSDCDSA-N 407.470 3.328 0 40 HGAB O=C(CCCN1C(=O)NC2(CCCC2)C1=O)N[C@H]1CCSc2ccc(F)cc21 14157468 VZVPSXCXVQUEGE-HNNXBMFYSA-N 405.495 3.124 0 40 HGAB COc1ccc([C@@H]2CCCN2C(=O)CCNS(=O)(=O)c2ccc(Cl)cc2)cc1 15623965 HLZXQOWSGWHORB-IBGZPJMESA-N 422.934 3.381 0 40 HGAB NC(=O)c1ccc(COC(=O)[C@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)cc1 16116409 AJLOVYFNZCGJQV-GXYHREHHSA-N 410.514 3.036 0 40 HGAB O=C(CCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12)N[C@H]1CCS(=O)(=O)C1 16236126 RLPNBDYPFXODGL-INIZCTEOSA-N 418.465 3.349 0 40 HGAB COc1ccccc1N(CCC(N)=O)C(=O)CSc1ccc(C(F)(F)F)cn1 16555259 UCOKBFYIZHDKRT-UHFFFAOYSA-N 413.421 3.110 0 40 HGAB COc1c(F)c(F)c(C(=O)NC(=S)Nc2cccc(C(=O)O)c2C)c(F)c1F 17090526 DTEAEZYJMSBINX-UHFFFAOYSA-N 416.352 3.385 0 40 HGAB Cn1nc(C(C)(C)C)cc1C(=O)N1CCC[C@@H]1c1nc(O)cc(-c2ccccn2)n1 19083758 FMVWMUNFAWVCRZ-MRXNPFEDSA-N 406.490 3.253 0 40 HGAB Cc1cc(OCC(=O)N2CCO[C@@H](c3nc(-c4ccncc4)no3)C2)ccc1Cl 19570741 RQELAKJEJQVTIG-QGZVFWFLSA-N 414.849 3.072 0 40 HGAB C[C@@H](NC(=O)c1ccc2c(c1)OCO2)c1nc2cc(-c3ccccc3F)ncn2n1 19575564 PPNMYJCUYZLHJZ-GFCCVEGCSA-N 405.389 3.150 0 40 HGAB NC(=O)c1ccc2nc(NC(=O)Cc3cc(Cl)c4c(c3)OCCCO4)sc2c1 19714450 AHQSJVWYFUBOMR-UHFFFAOYSA-N 417.874 3.391 0 40 HGAB COC(=O)C1CCN([C@H](c2ccccc2Cl)c2sc3nc(C)nn3c2O)CC1 22626335 DJWIFCYHIDHVJJ-OAHLLOKOSA-N 420.922 3.433 0 40 HGAB C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)Nc1ccccc1N1CCCC1)C2=O 22639728 JHJMLOLADXWIDM-MWTRTKDXSA-N 412.534 3.362 0 40 HGAB COc1ccc(OC)c([C@H]2CCCN2CN2C(=O)NC3(CCCCCC3)C2=O)c1 23673953 YDSXIOXNYRXAIF-GOSISDBHSA-N 401.507 3.443 0 40 HGAB C[C@@H](NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1)c1ccccc1 24612638 GBXHVIPIHXVIAO-MRXNPFEDSA-N 404.507 3.245 0 40 HGAB CCOc1ccc(NS(=O)(=O)c2cc(-c3nnnn3C(C)C)ccc2OC)cc1 27026047 MYSWXMLOUFNWFF-UHFFFAOYSA-N 417.491 3.129 0 40 HGAB C[C@@]1(c2ccccc2)NC(=O)N(NC(=O)c2cc(-c3cccc(Cl)c3)on2)C1=O 30036099 SRQJDWSBDBCRCA-FQEVSTJZSA-N 410.817 3.107 0 40 HGAB C[C@@H]1CN(C(C)(C)CNC(=O)NCCc2ccc(C(F)(F)F)cc2)C[C@@H](C)O1 31028499 SBCPCLSIMQJXIT-HUUCEWRRSA-N 401.473 3.435 0 40 HGAB CN(Cc1ccccc1)C(=O)c1cc(-c2cccs2)n([C@H]2CCS(=O)(=O)C2)n1 33325352 BIKYNHMBTPUOMZ-INIZCTEOSA-N 415.540 3.243 0 40 HGAB COc1ccc(NC(=O)C2CCC(CNC(=O)[C@@H]3Cc4ccccc4CN3)CC2)cc1 35392048 SRGJAYPBAXKOSF-KXXGJQBSSA-N 421.541 3.271 0 40 HGAB C[C@@H]1C[C@H]1c1ccc(CN(C)C(=O)CC[C@H]2NC(=O)N(c3ccc(F)cc3)C2=O)o1 40118685 KXZVHZSWTUYNKT-FSPWUOQZSA-N 413.449 3.406 0 40 HGAB COC[C@@H](C)n1c(S[C@@H](C)c2nnnn2-c2ccccc2)nc2ccccc2c1=O 40127253 CMDUUTFLHTZKSB-CABCVRRESA-N 422.514 3.433 0 40 HGAB CCN(Cc1cccc(NC(=O)[C@H]2CCCN(c3ccc(Cl)nn3)C2)c1)C(C)=O 40133727 JUSQATSEIDGTPC-KRWDZBQOSA-N 415.925 3.354 0 40 HGAB Cc1ccc([C@@H](C)NC(=O)[C@H]2CCN(S(C)(=O)=O)c3ccccc3O2)cc1C 44856431 FFFYVAIVTYNRJM-OXQOHEQNSA-N 402.516 3.098 0 40 HGAB Cc1cccc(NC(=O)Cn2c(=O)n(Cc3ccc(F)cc3)c(=O)c3ccccc32)c1 51357808 BWIRCEYQGHGDDT-UHFFFAOYSA-N 417.440 3.298 0 40 HGAB CCOC(=O)c1ccc(NC(=O)Cn2c(Nc3cccc(F)c3)nc(C)cc2=O)cc1 57506107 MGODJJQQVWTZEN-UHFFFAOYSA-N 424.432 3.250 0 40 HGAB CN(Cc1nc2ccccc2[nH]1)C(=O)[C@H]1CS[C@]2(c3ccccc3)CCC(=O)N12 58004264 SIESYARRZUPILH-GCJKJVERSA-N 406.511 3.112 0 40 HGAB Cc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1C 62391424 STSWSJJCZULXBV-HNNXBMFYSA-N 400.862 3.492 0 40 HGAB Cc1cc2nc(SCC(=O)NCc3ccc(F)cc3F)n(CC(C)C)c(=O)c2[nH]1 67237896 XRHFFTXRDSUJBQ-UHFFFAOYSA-N 420.485 3.376 0 40 HGAB O=C(C1CCOCC1)N1CCCCC[C@H]1C1CCN(Cc2nc(C3CC3)no2)CC1 69742780 GROPZEBZNLEBLW-FQEVSTJZSA-N 416.566 3.357 0 40 HGAB CCS[C@H]1CC[C@@H](N(C)CC(=O)NCc2ccccc2CN2CCCC2=O)C1 72304994 HHPIENICULYOPB-UXHICEINSA-N 403.592 3.031 0 40 HGAB Cn1nc(C(=O)N2CCC(c3cccc(Cc4ccc(Cl)cc4)n3)CC2)ccc1=O 72350071 KGWHLXUTBFZCGV-UHFFFAOYSA-N 422.916 3.439 0 40 HGAB CCSc1ncc(CN2CCC[C@@H](c3cc(=O)[nH]c(-c4ccncc4)n3)C2)cn1 72393033 HXJPYOPQHOJTMW-QGZVFWFLSA-N 408.531 3.114 0 40 HGAB O=C(Nc1cccnc1-n1cc(Br)cn1)c1ccc2c(c1)OCCCO2 72406493 JTTQAZUVSZCFRQ-UHFFFAOYSA-N 415.247 3.443 0 40 HGAB Cc1nnc(C2CCN(C(=O)[C@@H]3CC(=O)N(c4ccc(Cl)cc4)C3)CC2)s1 77099434 PELBHWYIZCEZBG-CQSZACIVSA-N 404.923 3.259 0 40 HGAB CCCNC(=O)c1ccc2c(c1)[C@H](c1ncn(C(C)C)n1)CN2C(=O)c1ccccn1 96156413 JDXKNLPNXZOMMQ-GOSISDBHSA-N 418.501 3.186 0 40 HGAB Cc1nc(-c2cc(C(=O)NC[C@@H]3CCCO3)c3ccccn23)cn1Cc1cccnc1 96266822 KYKXXGDRQHOBIJ-IBGZPJMESA-N 415.497 3.463 0 40 HGAB COc1ccc(CC(=O)NC2CCN(c3cc(-c4ccc(OC)cc4)n[nH]3)CC2)cc1 98212749 MNICMIINVCHUCO-UHFFFAOYSA-N 420.513 3.422 0 40 HGAB CC(=O)NC12C[C@H]3C[C@H](C1)CC(C(=O)NCC(=O)Nc1c(C)cc(C)cc1C)(C3)C2 101468688 VRUIEHZVXAQUHS-AYJAPBJVSA-N 411.546 3.142 0 40 HGAB O=C(NCc1ccccn1)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(Cl)cc2)CC1 101498330 HJSYCUQMVWOOKU-IYBDPMFKSA-N 421.950 3.136 0 40 HGAB O=C1[C@@H]2CCCC[C@H]2C(=O)N1c1ccccc1-c1nc(=O)c(-c2ccc(F)cc2)n[nH]1 101894536 RUDIHTBCSAYPHG-HZPDHXFCSA-N 418.428 3.318 0 40 HGAB CCCCCc1c(O)n(-c2ccccc2)c(SCCN2CCOCC2)nc1=O 102524924 BRFXGVPNOWLQRI-UHFFFAOYSA-N 403.548 3.095 0 40 HGAB CCOc1ccc(N2C(=O)[C@@H]3C(C(C)=O)=NN(c4ccccc4Cl)[C@H]3C2=O)cc1 103132609 BXUMKEUQRSWZDZ-IEBWSBKVSA-N 411.845 3.062 0 40 HGAB Cc1cc(F)ccc1S(=O)(=O)N[C@H]1CCN(c2ccc(C(F)(F)F)cn2)C1 206790958 NSJMBAGLOBFJFA-AWEZNQCLSA-N 403.401 3.105 0 40 HGAB CC[C@H](Oc1cccc(Cl)c1)C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21 216466413 WOQBLIHICBRZKM-IBGZPJMESA-N 422.934 3.337 0 40 HGAB CCOC[C@@]1(CN)[C@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccccc1 218217405 OTWBSRSMBMOJHH-QYZOEREBSA-N 424.360 3.370 0 40 HGAB CCOc1ccccc1CCCNC(=O)CCCN(C)S(=O)(=O)c1ccccc1 219722259 DYPWZGMAJBEMOW-UHFFFAOYSA-N 418.559 3.235 0 40 HGAB C[C@@H](C(=O)NCCSC1CCCCC1)N(c1ccc(F)c(F)c1)S(C)(=O)=O 220450064 SFJSZILEBLXOES-ZDUSSCGKSA-N 420.547 3.301 0 40 HGAB CC[C@H](C(=O)N[C@@H]1CCCc2ccccc21)N(c1cccc(OC)c1)S(C)(=O)=O 220630451 YGJSZLBOLPOFAW-NHCUHLMSSA-N 416.543 3.434 0 40 HGAB COc1ccccc1[C@H](C)NC(=O)CN(c1cccc(SC)c1)S(C)(=O)=O 223180039 MHOMCYKBDNOPPF-AWEZNQCLSA-N 408.545 3.061 0 40 HGAB CC(C)Oc1ccc(NS(=O)(=O)c2nnc(NC(=O)c3ccccc3)s2)cc1 224427999 UOLVFTKFHJYJQF-UHFFFAOYSA-N 418.500 3.378 0 40 HGAB CCOC(=O)[C@]1(CN)[C@@H](c2cccc(Cl)c2)[C@H]1S(=O)(=O)c1ccc(C)cc1 242495180 FYDSZLRCGNAQST-NLWGTHIKSA-N 407.919 3.096 0 40 HGAB CC1(C)CN(C(=O)c2ccc(Cl)cc2)C[C@@H]2CN(C(=O)c3ccccc3)CCN21 253394073 AABAHUOKZNXNNN-FQEVSTJZSA-N 411.933 3.401 0 40 HGAB biogenic,in-vitro Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NC[C@H]3CCCO3)cc2C)cc1 260561360 CFWVIONPEAFFOZ-GOSISDBHSA-N 402.516 3.037 0 40 HGAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC(c2ccccc2)c2ccccc2)cc1 408582909 FVUOHKNBGXWMFB-KRWDZBQOSA-N 424.522 3.268 0 40 HGAB COC(=O)CSc1nc2ccc(NC(=O)[C@H]3CCCC[C@H]3C(=O)O)cc2s1 408748940 CVSRGXJEKGBDKU-NWDGAFQWSA-N 408.501 3.391 0 40 HGAB CCCN1C(=O)N/C(=C/c2cccc(OC)c2OCC(=O)Nc2ccc(C)cc2)C1=O 409235800 BRFZAQZHXZUURB-QGOAFFKASA-N 423.469 3.324 0 40 HGAB O=S(=O)(NC[C@@H](O)c1ccc(-c2cccs2)s1)c1cccc2nsnc12 585147880 FMVHVNWDFNUJLD-LLVKDONJSA-N 423.566 3.493 0 40 HGAB Cc1ocnc1C(=O)N1CCCCN(C)C(=O)c2cc(Cl)ccc2OCCC1 643558469 NOAROFFQAZFNAF-UHFFFAOYSA-N 405.882 3.414 0 40 HGAB O=C(COc1ccc(S(=O)(=O)N2CCCC2)cc1)Nc1ccc(F)c(Cl)c1 800493 LSMDEBSEFXYFGM-UHFFFAOYSA-N 412.870 3.281 0 40 HGAB Cc1cc(C)c2cc([C@@H](c3nnnn3Cc3ccccc3)N3CCCC3)c(=O)[nH]c2c1 894641 OGQJSHLRAFXAFV-QFIPXVFZSA-N 414.513 3.365 0 40 HGAB CC(=O)OCc1c(C(F)(F)F)nn(C)c1S(=O)(=O)Cc1ccc(Cl)cc1 1391504 CPVHFSYMDRHQJD-UHFFFAOYSA-N 410.801 3.129 0 40 HGAB C[C@@](O)(CS(=O)(=O)Cc1ccccc1)C(=O)Nc1ccc(C(F)(F)F)cc1 1391962 VSUASVDCRILGPI-QGZVFWFLSA-N 401.406 3.010 0 40 HGAB COc1ccc2c(C)c(CCC(=O)N[C@@H](C(=O)O)c3ccccc3)c(=O)oc2c1C 2108239 TYQMSWXJIFLLJC-HXUWFJFHSA-N 409.438 3.293 0 40 HGAB biogenic COc1ccc(-n2c(S)nc3ccc(I)cc3c2=O)cc1 2343355 HMMKOULSCCJXLR-UHFFFAOYSA-N 410.236 3.288 0 40 HGAB O=C(CSc1ccc2nnc(-c3ccc(F)cc3)n2n1)NCCc1ccccc1 4164449 NEHIPGCMPWVYGW-UHFFFAOYSA-N 407.474 3.381 0 40 HGAB COc1cc(C)ccc1OCc1nnc(S[C@H](C)C(=O)Nc2nccs2)n1C 4816386 FIVVPSAONVCCEV-GFCCVEGCSA-N 419.532 3.287 0 40 HGAB CCN(CC(=O)NC(C)C)C(=O)CSc1nc2ccccc2n1-c1ccccc1 4829497 IAYNXOCPKSMZGU-UHFFFAOYSA-N 410.543 3.491 0 40 HGAB Cc1ccc(O[C@H](C)C(=O)N(Cc2ccccc2)[C@H]2CCS(=O)(=O)C2)cc1C 5533193 JQMSYXRKDYAGQQ-QUCCMNQESA-N 401.528 3.287 0 40 HGAB CCCOc1ccc([C@@H]2NC(=S)NC(C)=C2C(=O)OCCOC)c(OCCC)c1 5866349 ILCPYUCVXRGRGK-IBGZPJMESA-N 422.547 3.247 0 40 HGAB Cn1nc(C(F)(F)F)c(Br)c1C(=O)Nc1nc2ccccc2n1C 6402123 PNUBMQXCLWMWJX-UHFFFAOYSA-N 402.174 3.340 0 40 HGAB O=C(N[C@@H]1CCSc2ccccc21)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 6589543 MBRWRHQZAIPSBQ-RHSMWYFYSA-N 410.495 3.164 0 40 HGAB CCCOc1ccc(C(=O)N(Cc2cccc(OC)c2)[C@@H]2CCS(=O)(=O)C2)cc1 6810910 FCTTXZRTSBXXSK-LJQANCHMSA-N 417.527 3.314 0 40 HGAB O=C(N[C@H](Cc1ccccc1)C(=O)NCc1ccc2c(c1)OCO2)c1ccccc1 6998296 JHMOIKHUABOMEJ-HXUWFJFHSA-N 402.450 3.073 0 40 HGAB COc1ccc(NC(=O)CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)cc1 7015044 MOLAZBBLMYUCJX-UHFFFAOYSA-N 415.449 3.129 0 40 HGAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CSc1nc(-c2ccccc2F)n[nH]1 7090237 HPSCHAJBURYQFV-LBPRGKRZSA-N 411.462 3.467 0 40 HGAB O=C(N[C@H]1CCOc2ccccc21)c1ccc(Cl)c(S(=O)(=O)NC2CC2)c1 7312731 SKJGTSWZOHENNT-INIZCTEOSA-N 406.891 3.034 0 40 HGAB C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)C(O)(c1ccccc1)c1ccccc1 7654773 FPSNVSOERATVCA-GOSISDBHSA-N 401.462 3.444 0 40 HGAB CCCSc1nc2c(c(=O)[nH]1)[C@@H](c1cccc(OC)c1)C(C(=O)OC)=C(C)N2 8135227 VDWAFTRCNNJVMD-HNNXBMFYSA-N 401.488 3.285 0 40 HGAB CC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)Nc2ccccc2Cl)cc1 8416821 LTDUSAOZDOAKSR-UHFFFAOYSA-N 402.834 3.443 0 40 HGAB C[C@@H](OC(=O)CCN1C(=O)c2ccccc2C1=O)C(=O)C12CC3CC(CC(C3)C1)C2 8667691 XKMRGLKAGFPNKZ-ZJRYTYELSA-N 409.482 3.390 0 40 HGAB CN(CC(=O)Nc1cccc(Cl)c1)S(=O)(=O)c1ccc(Br)s1 9559520 BEJSXNQYWFMVST-UHFFFAOYSA-N 423.741 3.423 0 40 HGAB CC(C)COc1ccc(C(=O)N2CCC(NS(=O)(=O)c3cccs3)CC2)cc1 9853611 HRDKCGMWTFOKMQ-UHFFFAOYSA-N 422.572 3.366 0 40 HGAB NS(=O)(=O)c1cc(C(=O)NCC2(c3ccccc3)CCC2)c(Cl)cc1Cl 10221364 TWHBEPXAQDIYHE-UHFFFAOYSA-N 413.326 3.493 0 40 HGAB COc1ccc(NC(=O)CSc2nccn(-c3cccc(F)c3)c2=O)cc1OC 10272998 BASACMOEZDVJIN-UHFFFAOYSA-N 415.446 3.120 0 40 HGAB O=C(COc1cccc2ccccc12)N1CCC(NS(=O)(=O)c2ccccc2)CC1 11156260 IQBNVPQSGJIISW-UHFFFAOYSA-N 424.522 3.188 0 40 HGAB O=C(C[C@@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1)Nc1ccc2c(c1)OCO2 11612834 FIDYEJWADOJPPH-INIZCTEOSA-N 420.462 3.126 0 40 HGAB CC[C@H](Cn1nc(-c2cccs2)ccc1=O)NC(=O)CCn1ncc2ccccc21 12276254 YZYOLKSQFBHJFQ-QGZVFWFLSA-N 421.526 3.307 0 40 HGAB COc1ccc(OC)c2sc(N(Cc3ccccn3)C(=O)c3ccnn3C)nc12 12444250 KSULXKNAUMQMOL-UHFFFAOYSA-N 409.471 3.289 0 40 HGAB COC(=O)c1sc(NC(=O)CCN2CCc3ccccc32)c(C(=O)OC)c1C 12641997 XEUCNAOCRNTABJ-UHFFFAOYSA-N 402.472 3.021 0 40 HGAB Cc1nn(-c2ccccc2Cl)c2sc(C(=O)N(C)[C@H]3CCS(=O)(=O)C3)cc12 12686105 PZRDRMVQSZRGFN-LBPRGKRZSA-N 423.947 3.308 0 40 HGAB Cc1cc(N2CCN([C@@H](C)C(=O)Nc3ccc(F)cc3F)CC2)nc(C(C)C)n1 12783934 AQLJNTIKRNUVCJ-HNNXBMFYSA-N 403.477 3.336 0 40 HGAB Cc1cc(C)cc(-n2ncc3c(=O)n(C[C@H](O)COc4ccc(C)cc4C)cnc32)c1 12865056 VJCKODQISLIXCD-FQEVSTJZSA-N 418.497 3.256 0 40 HGAB CN1C(=O)Cc2cc(S(=O)(=O)Nc3ccc(Br)cc3Cl)ccc21 12969342 PXSAMCPRAVLZEJ-UHFFFAOYSA-N 415.696 3.422 0 40 HGAB COc1cc(C(=O)COC(=O)/C(=C/c2ccccc2)NC(C)=O)ccc1OC(F)F 13072500 ZJAUSZUIFHLNPA-YBEGLDIGSA-N 419.380 3.200 0 40 HGAB O=C(Nc1ccc(F)c(Cl)c1)c1nn([C@H]2CCS(=O)(=O)C2)c2c1CCCC2 13730911 BYXYPXVSZOGKMN-LBPRGKRZSA-N 411.886 3.166 0 40 HGAB Cc1ccc(-c2cc(=O)n(CC(=O)N3CCN(c4ccccc4Cl)CC3)cn2)cc1 13806659 ORBPJKWLUNDCLO-UHFFFAOYSA-N 422.916 3.221 0 40 HGAB Cc1ccc(C)c(N(CCCC(=O)Nc2ccc3c(c2)OCO3)S(C)(=O)=O)c1 14397005 OCABHQOYDWPFPW-UHFFFAOYSA-N 404.488 3.217 0 40 HGAB Cc1ccc(/C=C/S(=O)(=O)NCC(=O)NCc2ccc(C(F)(F)F)cc2)cc1 16301566 ZFWWXJICTZXZSK-ZHACJKMWSA-N 412.433 3.220 0 40 HGAB Cc1nn(-c2nc(C)c(C)c(=O)[nH]2)c(C)c1CCC(=O)N[C@@H](C)CCc1ccccc1 16981076 KEIMUSHWWJYCAI-HNNXBMFYSA-N 421.545 3.259 0 40 HGAB CC(C)(C)C(=O)N[C@@H](O[C@@H](NC(=O)C(C)(C)C)C(=O)C(C)(C)C)C(=O)C(C)(C)C 17176206 OTLOPNSFZJSSPI-IYBDPMFKSA-N 412.571 3.210 0 40 HGAB Cc1ccc(CSCCNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 17603546 AJSFGRYTAXJQGB-UHFFFAOYSA-N 418.584 3.443 0 40 HGAB COc1ccc([C@@H](CNC(=O)c2nn(-c3ccccc3)cc2OC)N2CCCC2)cc1 17911716 VCAAZGBPJBNNGV-OAQYLSRUSA-N 420.513 3.456 0 40 HGAB Cc1ccccc1-c1nnc(SCC(=O)Nc2ccc(N3CCOCC3)cc2)[nH]1 18223233 OJMKBNDFRQVWAC-UHFFFAOYSA-N 409.515 3.348 0 40 HGAB Cc1cnc(-c2nnc([C@@H]3CCCN(S(=O)(=O)c4cccc(Cl)c4)C3)o2)cn1 19239136 HTGOUZWSXHPMGX-CYBMUJFWSA-N 419.894 3.057 0 40 HGAB CC(C)CNC(=O)[C@H]1CN(Cc2ccccc2)C[C@@H]1c1ccnc(N2CCCC2)n1 19447359 YXYSBGYGULFPND-SFTDATJTSA-N 407.562 3.065 0 40 HGAB C[C@@H]1C[C@H]1C(=O)N1CCCC[C@@H]1c1nc(=O)c2c([nH]1)CN(Cc1cccs1)CC2 19463386 KGTBTABUXNEZMY-LSBZLQRGSA-N 412.559 3.099 0 40 HGAB CCC(=O)N1CCCc2cc([C@@H](O)CN3CCN(c4cccc(OC)c4)CC3)ccc21 19498893 QEOPLKMSMHKHKE-DEOSSOPVSA-N 423.557 3.240 0 40 HGAB O=C(Cn1cc(C(=O)NC2CCCC2)ccc1=O)NCC1(c2ccccc2)CCCC1 19746300 JYNROMJPGAQJNL-UHFFFAOYSA-N 421.541 3.149 0 40 HGAB CC(C)CNS(=O)(=O)c1ccc(OCC(=O)N[C@@H]2CCCc3ccccc32)cc1 20019456 RCPHIIUSBVNCFM-OAQYLSRUSA-N 416.543 3.194 0 40 HGAB O=C(NCc1ccccc1Cl)c1ccc(Cn2c(=O)[nH]c3ccccc3c2=O)cc1 21117190 OJCRXGWEXIKJAG-UHFFFAOYSA-N 419.868 3.322 0 40 HGAB CSc1ccc(CNC(=O)COc2cc(C)nc(N3CCC(C)CC3)n2)cc1 21360743 NHVCPYVVCQIXPE-UHFFFAOYSA-N 400.548 3.438 0 40 HGAB COc1ccc(CCCNC(=O)CN(c2ccc(C)c(Cl)c2)S(C)(=O)=O)cc1 22337566 CCQINYYDAXFIHX-UHFFFAOYSA-N 424.950 3.172 0 40 HGAB O=C(NC[C@@H]1COc2ccccc2O1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 22411209 GQGKMDNXYIOKGT-GOSISDBHSA-N 424.478 3.057 0 40 HGAB Cc1nc2sc([C@H](c3ccc(Cl)c(Cl)c3)N3CCN(C)CC3)c(O)n2n1 22468412 LIQQOQQXAISNDD-AWEZNQCLSA-N 412.346 3.448 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N(C)Cc2ccccc2)c(Cl)c1 28208219 QPIKJERIXAKKHC-UHFFFAOYSA-N 424.950 3.408 0 40 HGAB Cc1ccc([C@@H](CNC(=O)c2cc(=O)c3cc(C)ccc3o2)N2CCOCC2)cc1 28288202 DQSLUHNNSDDOFC-HXUWFJFHSA-N 406.482 3.213 0 40 HGAB COC(=O)c1c(COC(=O)CCNC(=O)c2cccs2)nc2ccccc2c1C 30868872 WKTMXOUHIRJFHX-UHFFFAOYSA-N 412.467 3.255 0 40 HGAB CCN(CC(=O)Nc1ccccc1C(F)(F)F)S(=O)(=O)N1C[C@@H](C)C[C@@H](C)C1 32755521 QWTMGVUZLRBPFB-OKILXGFUSA-N 421.485 3.189 0 40 HGAB CCOC(=O)[C@H]1CSCCN1C(=O)c1cc(-c2ccccc2)nc2c1c(C)nn2C 32894271 LIIAHIMUWUVSSY-GOSISDBHSA-N 424.526 3.064 0 40 HGAB CC(=O)[C@H](Cc1ccccc1)NC(=O)COC(=O)c1nc(-c2ccccc2)cs1 32922116 FMRDTYFGCILLOP-SFHVURJKSA-N 408.479 3.283 0 40 HGAB COc1ccccc1NC(=O)CN(Cc1ccco1)S(=O)(=O)c1ccccc1 32957815 LNAKOXWNNMOSLE-UHFFFAOYSA-N 400.456 3.118 0 40 HGAB O=C(COc1ccc(Cl)cc1/C=C1/C(=O)NC(=O)N=C1O)Nc1ccccc1F 33648022 KTVUIMVVKZOLCA-UHFFFAOYSA-N 417.780 3.086 0 40 HGAB CCOc1cc(CN(C)[C@@H](C)C(=O)Nc2ccc(C(N)=O)cc2)ccc1OC(F)F 40086160 BEWBRFSJNCAAJP-ZDUSSCGKSA-N 421.444 3.245 0 40 HGAB CNS(=O)(=O)c1ccc(CNC(=O)CCc2cccc(Cl)c2Cl)s1 40093869 ASOFWTGVUDUEHQ-UHFFFAOYSA-N 407.344 3.212 0 40 HGAB COc1ccc(NC(=O)[C@H](C)NC(=O)N2CCN(c3ccccc3)CC2)cc1Cl 61721277 BRWWMFAJIABPPD-HNNXBMFYSA-N 416.909 3.207 0 40 HGAB COc1ccc(CCNC(=O)CSc2nnc3c4ccccc4ccn23)cc1OC 71196146 XCJBNJXDPOTXPM-UHFFFAOYSA-N 422.510 3.351 0 40 HGAB COC[C@H](C)N1CCN(CC(=O)c2cc(C)n(CCc3cccs3)c2C)CC1 72308089 SLJIXLIQBKHWPO-SFHVURJKSA-N 403.592 3.244 0 40 HGAB COc1cccc(N2CCN(C(=O)CCc3nc(-c4cccc(F)c4)no3)CC2)c1 72332129 OPYYJOYGVYZFFA-UHFFFAOYSA-N 410.449 3.166 0 40 HGAB CC(C)(C)c1cc(C(=O)N2CCC[C@H](c3ccnc4nc(C(F)(F)F)nn34)C2)[nH]n1 72334990 HBWRCPHSQYEBJV-NSHDSACASA-N 421.427 3.184 0 40 HGAB COC(=O)CN1CCC(Oc2ncnc3c2c(C)c(C)n3Cc2ccccc2)CC1 72335984 XAFNZIXGJHAPDF-UHFFFAOYSA-N 408.502 3.113 0 40 HGAB O=C(CCC(=O)N1CCN(c2cccc(Cl)c2)CC1)Nc1n[nH]c2ccccc12 79502193 WZDSSIPDRBNOAZ-UHFFFAOYSA-N 411.893 3.284 0 40 HGAB Cc1cc(NC(=O)[C@H](C)Oc2ccc(Br)cc2)n(-c2ncccn2)n1 84105356 BKKTXNPYRCUDSU-LBPRGKRZSA-N 402.252 3.139 0 40 HGAB COc1ccc2cc([C@H]3SCC(O)=Nc4c3c(=O)[nH]n4C(C)C)c(=O)[nH]c2c1 95480366 ZDBWRHQPCBTCIP-MRXNPFEDSA-N 400.460 3.032 0 40 HGAB O=C(NCc1cc(Br)c2c(c1)OCCO2)c1cc(-c2ccco2)on1 95955816 BLNHLRVMBDYSDD-UHFFFAOYSA-N 405.204 3.398 0 40 HGAB COCCN(C)c1nc(C2CCN(C(=O)c3ccsc3)CC2)cc2c1ncn2C 96099968 MMNBMUJDKRGOMZ-UHFFFAOYSA-N 413.547 3.132 0 40 HGAB CCS(=O)(=O)N1CCC(c2cc3c(ncn3C)c(-c3ccc(OC)cc3)n2)CC1 96100454 BWGCDDYVZBRTOY-UHFFFAOYSA-N 414.531 3.173 0 40 HGAB Cc1cccc(NC(=O)CN2N=N[C@@H]3C(=O)N(c4ccc(C(C)C)cc4)C(=O)[C@H]32)c1C 96286237 JUSHDLQADJKNTH-SFTDATJTSA-N 419.485 3.359 0 40 HGAB Cc1noc(C)c1C(=O)NC[C@H]1CC[C@H](C(=O)NCCN2CCc3ccccc32)CC1 100766684 GMIAMPQTNKIROY-PUZFROQSSA-N 424.545 3.007 0 40 HGAB COc1ccc(OC)c(C2=NO[C@@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)[C@H]23)c1 101311263 ZQMDGDPYCDZGDY-WBVHZDCISA-N 421.236 3.303 0 40 HGAB COC(=O)c1c(C)nc(C2CC2)nc1SCC(=O)N[C@H](C)[C@H]1C[C@H]2CC[C@H]1C2 104679440 LANAIHVRDUBMLC-SHPPOPEUSA-N 403.548 3.482 0 40 HGAB COc1cc(OC)cc(OCC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 218892438 HBSZUXCZGVCVIL-UHFFFAOYSA-N 424.419 3.450 0 40 HGAB CC(C)Oc1cccc(CNC(=O)c2ccc(N(C)S(C)(=O)=O)cc2Cl)c1 222518154 ZXWALJBZSJIEEG-UHFFFAOYSA-N 410.923 3.453 0 40 HGAB COC(=O)c1cccc(NC(=O)CCCN(c2ccccc2F)S(C)(=O)=O)c1C 222655604 CASCBFYTKJIZRK-UHFFFAOYSA-N 422.478 3.106 0 40 HGAB CCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)COc1ccc(Br)cc1 223534505 ZVFQPEAZOJASEJ-HNNXBMFYSA-N 419.319 3.381 0 40 HGAB CC[C@@H](C(=O)NCCOCc1ccccc1)N(c1ccc(Cl)cc1)S(C)(=O)=O 224307153 KKAHJQAIKJHZDE-IBGZPJMESA-N 424.950 3.218 0 40 HGAB O=C(Nc1cccc(C(F)(F)F)c1)N1CCN(C(=O)c2cnn3c2CCCC3)CC1 225606765 UUVNUUHYNUMEFG-UHFFFAOYSA-N 421.423 3.228 0 40 HGAB CC(C)Sc1nnc(NC(=O)c2cc(N(C)S(C)(=O)=O)ccc2Cl)s1 225641449 OUYNZKDQIASVSA-UHFFFAOYSA-N 420.969 3.340 0 40 HGAB Cc1cccc(N(CN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@H]3C2=O)C(=O)C(F)(F)F)c1C 226401214 PNWHRTXUMWLGCL-UGMMYLGUSA-N 418.415 3.209 0 40 HGAB Cc1nccn1CCCC(=O)N1CCO[C@H](c2ccc(Nc3ccccn3)cn2)C1 257208790 BNPCYYJKEIIWNQ-FQEVSTJZSA-N 406.490 3.105 0 40 HGAB CO[C@@H]1CCN(CC(=O)Nc2nc(-c3ccc(F)cc3)c(C)s2)C[C@]12CCCO2 257236958 HEPMGCWHRTVSPT-DYESRHJHSA-N 419.522 3.466 0 40 HGAB CCN(CC)C(=O)c1cnc(C(C)C)nc1[C@H]1CC[C@H](CNC(=O)COC)CC1 257262109 LKBUEYNQZLNONF-QAQDUYKDSA-N 404.555 3.118 0 40 HGAB C[C@]1(O)CN(Cc2ccc(S(C)(=O)=O)cc2)CC[C@@H]1Oc1cccc(Cl)c1 257267312 MGSZXUSWBDVINK-PMACEKPBSA-N 409.935 3.148 0 40 HGAB Cc1nc([C@H]2CCN(C(=O)c3ccccc3)C2)nc(C)c1CC(=O)N1CCCCC1 257315865 VDAXNZMNLTURCU-FQEVSTJZSA-N 406.530 3.278 0 40 HGAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)N[C@@H](C)c1cc(C)c(C)cc1C)O2 260939053 QDEWNUFDXRDVAV-LAUBAEHRSA-N 416.543 3.325 0 40 HGAB CN1CC[C@H](COCc2ccccn2)CC12CN(C(=O)c1cc3ccccc3[nH]1)C2 306126818 FGBLYYGGKNDFMA-SFHVURJKSA-N 404.514 3.316 0 40 HGAB Cn1cc(C(=O)N2CCC[C@H](c3nc4ccc(-c5cccc(F)c5)cn4n3)C2)cn1 306128338 GXQPWVWLNCURNE-KRWDZBQOSA-N 404.449 3.289 0 40 HGAB CCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(F)cc2F)c(Cl)c1 408557511 OAMWWUJPIJEDJE-UHFFFAOYSA-N 418.849 3.324 0 40 HGAB Cc1ccc(C)n1NC(=O)c1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)cc1 408685474 PNHYVLBLHQDQEM-LEZSPFLNSA-N 401.466 3.046 0 40 HGAB CCn1cc(C(=O)N2CCC[C@]3(CCCCc4ccccc4OCCNC3=O)C2)cn1 643560087 KGYFLPNWBUHBPZ-XMMPIXPASA-N 424.545 3.047 0 40 HGAB O=S(=O)(NC[C@@H](O)c1ccc(-c2ccco2)s1)c1ccc2c(c1)OCCCO2 1775968814 MBVPPHCVEKQEMQ-CQSZACIVSA-N 421.496 3.181 0 40 HGAB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OC(=O)c1cccs1 956318 IQDZTLYSQYKKOL-INIZCTEOSA-N 402.497 3.323 0 40 HGAB Nn1c(Cc2cccc3ccccc23)nnc1SCC(=O)NCc1cccs1 3300561 CUDFEBULKNUSDA-UHFFFAOYSA-N 409.540 3.206 0 40 HGAB CC(C)OC(=O)c1c(NC(=O)COC(=O)c2ccncc2)sc2c1CCCC2 3338360 WGCZVSTXVNJJAZ-UHFFFAOYSA-N 402.472 3.383 0 40 HGAB CCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccc(C)cc3)cc2)CC1 4121620 SGGYTIJHXGGEDM-UHFFFAOYSA-N 410.543 3.180 0 40 HGAB COc1cccc(N(CC(=O)NCc2ccco2)S(=O)(=O)c2ccc(C)cc2)c1 4454674 OGQKZNLRTVMEPO-UHFFFAOYSA-N 414.483 3.108 0 40 HGAB CCOc1c(Br)cc(/C=C(/NC(C)=O)C(=O)O)cc1Br 4526078 WWMKYBUAMNMFGQ-IZZDOVSWSA-N 407.058 3.172 0 40 HGAB CN1C(=O)N(C)C(=O)C2(Cc3ccc(F)cc3N3CC[C@@H](c4ccccc4)C[C@@H]32)C1=O 4915815 GGMVVMZUTYGMMH-OXQOHEQNSA-N 421.472 3.171 0 40 HGAB C[C@@H](NS(=O)(=O)c1cccc(C(=O)OCC(=O)c2ccc[nH]2)c1)c1ccccc1 4984117 UWXOYKMDUPHGAS-OAHLLOKOSA-N 412.467 3.094 0 40 HGAB COc1ccccc1CN(C)C(=O)CSc1nnc(-c2ccc3c(c2)OCO3)o1 5216290 DZZCKDCLGGKYHQ-UHFFFAOYSA-N 413.455 3.225 0 40 HGAB Cc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3cc(Cl)ccc3C)CC2=O)cc1 6081713 MPEIBHIYKRNNTR-HNNXBMFYSA-N 400.862 3.492 0 40 HGAB C/C=C\C(=O)Nc1scc2c(C(=O)OCC)nn(-c3ccc(OC)cc3)c(=O)c12 6327629 ZWZHXJQXIXRYEB-XQRVVYSFSA-N 413.455 3.147 0 40 HGAB CCn1ncc(C2=NO[C@H](C(=O)N3CCN(c4cc(Cl)ccc4C)CC3)C2)c1C 6802809 ZZTYGZCYRYYIDJ-FQEVSTJZSA-N 415.925 3.015 0 40 HGAB O=C(CN1C(=O)COc2ccccc21)Nc1ccc(-c2cn3ccsc3n2)cc1 8230434 SIUOQBYCPMHKAG-UHFFFAOYSA-N 404.451 3.427 0 40 HGAB COC(=O)c1ccc(OC[C@H](O)CNCC23CC4CC(CC(C4)C2)C3)c(OC)c1 8324278 IHUOZBZJRTZWBZ-YLSHDAJPSA-N 403.519 3.028 0 40 HGAB CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc(F)c3)CC2)cc1 8346115 YTHOCINTNNXLIP-UHFFFAOYSA-N 404.463 3.068 0 40 HGAB CCN(CC(=O)NC(C)C)C(=O)CSc1nc(C(F)(F)F)nc2ccccc12 8394976 KEBUEPSNIRTHIP-UHFFFAOYSA-N 414.453 3.114 0 40 HGAB Cc1nc(SCCOc2ccc(S(N)(=O)=O)cc2)c2c(C)c(C)sc2n1 8560491 NDNHBNWZRZQJKY-UHFFFAOYSA-N 409.558 3.435 0 40 HGAB COc1ccc([C@@H]2[C@@H](C(=O)c3ccccc3)[C@](O)(C(F)(F)F)N(C)C(=O)N2C)cc1 8861918 PKQPXAKKMPEKAN-QKLQHJQFSA-N 422.403 3.484 0 40 HGAB CC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)Nc3ccccc3F)CC2)cc1 9218354 OEPRAJMZJYEUBF-UHFFFAOYSA-N 405.495 3.488 0 40 HGAB C[C@@H](Sc1nc(C2CC2)n(-c2ccccc2)n1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 9257353 GFBXAVRUWMWQQD-GFCCVEGCSA-N 420.498 3.434 0 40 HGAB O=C(CSc1nnc2ccccn12)Nc1cc(C(F)(F)F)ccc1-n1cncn1 9411990 STPWFGPXJMHBHN-UHFFFAOYSA-N 419.392 3.060 0 40 HGAB CC(C)[C@@H](NC(=O)Cn1c(=O)cnc2ccccc21)c1ccc2c(c1)OCCCO2 9577885 HUGPTMLXFUGKIK-HSZRJFAPSA-N 407.470 3.071 0 40 HGAB CC1CCN(C(=O)COC(=O)c2ccc3c(c2)C(=O)N(c2ccc(F)cc2)C3=O)CC1 9700186 HKNKQCMILBSECJ-UHFFFAOYSA-N 424.428 3.042 0 40 HGAB CC1CCN(C(=O)COC(=O)c2c(NC(=O)c3ccco3)sc3c2CCC3)CC1 10937191 VIVWZUWZPWCJFI-UHFFFAOYSA-N 416.499 3.497 0 40 HGAB COc1ccc(Cl)cc1C(=O)N1CCCN(S(=O)(=O)c2ccc(C)cc2)CC1 11000014 SPWMWGUXROYKBG-UHFFFAOYSA-N 422.934 3.194 0 40 HGAB COc1ccc(-c2ccc(N3CCN(C(=O)c4ccccc4F)CC3)nn2)cc1OC 11695281 IVWVFPNNIOCPDY-UHFFFAOYSA-N 422.460 3.262 0 40 HGAB CC(C)CC(=O)N1C[C@H]2CCCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)[C@H]2C1 12220126 WCBRCJFFFYMWAH-PBHICJAKSA-N 418.481 3.363 0 40 HGAB O=S1(=O)c2ccccc2[C@@H](O)[C@H](Cc2cccc3[nH]ccc23)N1Cc1ccncc1 12324394 HZAFWFNMXRZYHZ-JTHBVZDNSA-N 419.506 3.412 0 40 HGAB Cc1c(C(=O)OCc2cnn(-c3ccccc3)c2)sc2nc3n(c(=O)c12)CCC3 12850754 KXKYSDNCYNINKU-UHFFFAOYSA-N 406.467 3.255 0 40 HGAB C[C@]12CCC(=O)N1[C@H](C(=O)Nc1nnc(SCc3ccccc3)s1)CS2 12853159 RWZSLAAUUDTXRH-SJCJKPOMSA-N 406.558 3.223 0 40 HGAB CN(Cc1cnn(-c2ccccc2)c1)S(=O)(=O)c1ccccc1Br 12928438 PAHQZKQODRUSHX-UHFFFAOYSA-N 406.305 3.456 0 40 HGAB CNC(=O)c1ccc(/C=C/C(=O)Nc2ccccc2I)cc1 12980304 XCAACYQMCQBRKD-DHZHZOJOSA-N 406.223 3.303 0 40 HGAB CCCCc1oc2ccccc2c1/C=C/C(=O)N1CCN(CC(=O)NC2CC2)CC1 14095406 ZUXOGINZTHDFAY-VAWYXSNFSA-N 409.530 3.211 0 40 HGAB CC(C)N(CC(N)=O)CC(=O)Nc1ccc(Oc2ccc(Br)cc2)cc1 14232402 PVPJZHLCQFWAEY-UHFFFAOYSA-N 420.307 3.376 0 40 HGAB O=C1[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccccc3)N2C(=O)CN1Cc1ccncc1 16042746 PSQRHEOLMCGTGS-RCZVLFRGSA-N 422.488 3.448 0 40 HGAB biogenic COc1ccccc1N1CCN(C(=O)C2(c3ccccc3OC)CCOCC2)CC1 16985854 YHJYTSJXEXNZPW-UHFFFAOYSA-N 410.514 3.101 0 40 HGAB CCOc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](c2ccc(Cl)cc2)N2CCCN32)cc1 19167141 FKESPDMCVYWJEE-AQNXPRMDSA-N 411.889 3.274 0 40 HGAB Cc1cccc(-c2cccc(C[C@@]3(C(N)=O)CCCN(C(=O)c4cnccn4)C3)c2)c1 19235441 OZUKSGIMOPQCTK-VWLOTQADSA-N 414.509 3.402 0 40 HGAB CC(=O)N1CCO[C@@H](c2c(C(=O)NCCc3ccccn3)sc3ccccc23)C1 19696874 YOHNEPDTLAIYEM-GOSISDBHSA-N 409.511 3.189 0 40 HGAB CNc1cc(CN(C)C(C)=O)nc([C@H]2CCCN2Cc2cc3c(cc2OC)CCC3)n1 19759257 BDHLJXIAVXIRJS-OAQYLSRUSA-N 423.561 3.331 0 40 HGAB Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1C(=O)NCCN1CCOCC1 20677860 DIGAAXJKDSWTBJ-UHFFFAOYSA-N 415.437 3.079 0 40 HGAB CCc1ccc(NC(=O)CN2CCCN(Cc3ccc(Cl)cc3)S2(=O)=O)cc1 21531410 YTFBBSZSJKILKN-UHFFFAOYSA-N 421.950 3.294 0 40 HGAB Cc1nccn1-c1ccc(CNC(=O)c2cc(NS(C)(=O)=O)ccc2Cl)cc1 22509915 GGMAKOQFAOSSIB-UHFFFAOYSA-N 418.906 3.136 0 40 HGAB COc1ccc(CN2CCCN(Cc3cc(=O)n4cc(Cl)ccc4n3)CC2)cc1 23008240 WDPDWEMJLURIRO-UHFFFAOYSA-N 412.921 3.064 0 40 HGAB O=C(c1cc(Br)ccc1O)N1CCC(C(=O)N2CCCCCC2)CC1 28817740 JXBCXAXIFBOQJV-UHFFFAOYSA-N 409.324 3.410 0 40 HGAB Cc1cc(O)c(C(=O)O)cc1S(=O)(=O)Nc1ccc(NC(=O)CC(C)C)cc1 31668287 PCPPVAWHGOGOAK-UHFFFAOYSA-N 406.460 3.184 0 40 HGAB COc1ccc(OC)c(NC(=O)[C@H]2CC(=O)Nc3c(-c4ccc(F)cc4)cnn32)c1 32090539 OWLJLWRSRRCIHY-QGZVFWFLSA-N 410.405 3.228 0 40 HGAB C[C@H](CNC(=O)C1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1ccccc1 32476015 XWFUKPRFKJEIPN-GOSISDBHSA-N 400.544 3.148 0 40 HGAB O=C(OC[C@H]1CCCO1)c1cc2c(cc1Cl)N1CCCCCC1=NS2(=O)=O 32666675 XLZQMCCJURRXEM-GFCCVEGCSA-N 412.895 3.157 0 40 HGAB CCOc1cccc(COC(=O)CCN2C(=O)c3ccccc3C2=O)c1OC(F)F 32753646 YCICMATWXSHKIL-UHFFFAOYSA-N 419.380 3.416 0 40 HGAB O=C1c2cc(Cl)c(Cl)cc2C(=O)N1CN(C[C@@H]1CCCO1)C[C@H]1CCCO1 32935453 YQSNHOHNOANYNJ-BETUJISGSA-N 413.301 3.207 0 40 HGAB Cc1cccc(C)c1NC(=O)Cn1c(=O)n(Cc2ccco2)c(=O)c2ccccc21 34858420 BHJUTAMSOYCQFO-UHFFFAOYSA-N 403.438 3.060 0 40 HGAB COC(=O)C[C@H](NC(=O)c1cccc(C(=O)OC)c1)c1ccc(Br)cc1 40132761 OOKXTQHYEJEGRQ-INIZCTEOSA-N 420.259 3.270 0 40 HGAB CC(=O)Nc1ccc(S(=O)(=O)N(C)CCCc2cc(-c3ccccc3)n[nH]2)cc1 40155826 JPAUCSBFVRXLFX-UHFFFAOYSA-N 412.515 3.288 0 40 HGAB CC(C)CCNC(=O)C1CCN(C(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)CC1 48302794 OKUBLIRUCSFRJG-NRFANRHFSA-N 417.569 3.439 0 40 HGAB CCOCc1ccccc1CNC(=O)C[C@](O)(c1nc(C)cs1)C(F)(F)F 48339779 ZMSCPSDACKYMJS-KRWDZBQOSA-N 402.438 3.444 0 40 HGAB CC(C)[C@H](c1nnnn1Cc1ccco1)N1CCN(c2nc3ccccc3s2)CC1 57671165 LWJYUDLWECOAAM-LJQANCHMSA-N 423.546 3.443 0 40 HGAB COc1ccc([C@@H]2Nc3ccccc3C(=O)N2CCC(=O)NCc2cccnc2)cc1 61720555 MOOJYXKAQVNGIQ-HSZRJFAPSA-N 416.481 3.363 0 40 HGAB COc1cccc(NC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2CC(C)C)c1 67237621 QWUKWPLOHVNPML-UHFFFAOYSA-N 400.504 3.428 0 40 HGAB COc1ccc(Br)c(C(=O)NCC2CCN(c3ccncc3)CC2)c1 70928782 RTUIKXXRVWOCGG-UHFFFAOYSA-N 404.308 3.499 0 40 HGAB COc1cc(C(=O)N[C@H](C)Cc2ccc(Cl)cc2Cl)ccc1OCC(N)=O 72065114 QPTNKPXDOQEJBF-LLVKDONJSA-N 411.285 3.227 0 40 HGAB NC(=O)c1cccc(-c2cccc([C@@H]3CCCN(C(=O)Cc4ccccn4)C3)n2)c1 72349477 JLVRZWCCWGDKCA-LJQANCHMSA-N 400.482 3.191 0 40 HGAB O=C(c1cccnc1)N1CC[C@@H](c2c(C(=O)N3CCOCC3)sc3ccccc23)C1 72356073 WJQAGLLMHISSQC-QGZVFWFLSA-N 421.522 3.398 0 40 HGAB Cc1nc(C(C)(C)C)nc(S)c1C(=O)NCCCC(=O)N1Cc2ccccc2C1 78985271 BDYZUFLGAUNWGN-UHFFFAOYSA-N 412.559 3.424 0 40 HGAB COC(=O)CC[C@@H](Cc1ccccc1)NC(=O)CNc1cc(Cl)ccc1OC 95450694 CVWSBZWVHQUGNK-KRWDZBQOSA-N 404.894 3.441 0 40 HGAB CSCC[C@H](Nc1nc(C)cc(C)n1)C(=O)N1CCO[C@H](c2ccccc2)C1 95478943 OZLRBWYIVGILKH-OALUTQOASA-N 400.548 3.227 0 40 HGAB Cc1cc(C)nc(Nc2cccc(C(=O)N3CCN(CCc4ccncc4)CC3)c2)n1 95479017 FCPAWLDFTCCIEW-UHFFFAOYSA-N 416.529 3.233 0 40 HGAB Cc1cc(O)n2nc([C@H]3CCCN(C(=O)C[C@@H](C)n4nc(C)c(C)c4C)C3)cc2n1 100138031 GCGYYTAIIGUVPI-KDOFPFPSSA-N 410.522 3.222 0 40 HGAB CC(=O)N1CCc2ccccc2[C@H]1c1c(O)[nH]c(=S)n(Cc2ccccc2)c1=O 100749947 YKUUXYWYCVWXNH-IBGZPJMESA-N 407.495 3.154 0 40 HGAB biogenic CCN(CC)c1ccc(C(=O)/N=c2\sc3cc(S(C)(=O)=O)ccc3n2C)cc1 100859796 CYLMWUMXOUIUKF-MRCUWXFGSA-N 417.556 3.231 0 40 HGAB O=C(O)c1ccc(Oc2cccc(N3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4C3)c2)cc1C(=O)O 101518006 TWBVEJZZIMMLSJ-KFMSBCHRSA-N 419.389 3.187 0 40 HGAB CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](C)OC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)cc1 102445652 RHNVDIDQZIJJOC-QAETUUGQSA-N 422.547 3.070 0 40 HGAB CCOc1ccc(N(CCCC(=O)Nc2cccc(OC)c2)S(C)(=O)=O)cc1 113961362 NJHPQSMXAIVZIE-UHFFFAOYSA-N 406.504 3.279 0 40 HGAB COCCCNC(=O)c1ccc(CN(c2cc(C)ccc2C)S(C)(=O)=O)cc1 113965042 MBESUONBCNNSAB-UHFFFAOYSA-N 404.532 3.036 0 40 HGAB COc1ccc([C@@H](C)NC(=O)[C@@H](C)N(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1 216190046 IRLBUXHQMSKVAX-IAGOWNOFSA-N 404.532 3.344 0 40 HGAB COc1ccc(/C=C/C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2OC)cc1 216307858 AKPSNVQGNQJHML-KPKJPENVSA-N 416.499 3.140 0 40 HGAB CCCN1C(C)=NS(=O)(=O)c2cc(C(=O)Nc3ccc(NC(C)=O)cc3)ccc21 223113388 BSDYINWKSHQXKW-UHFFFAOYSA-N 414.487 3.234 0 40 HGAB COCCCNc1ccc(C(=O)OC)cc1S(=O)(=O)Nc1ccc(Cl)cc1 223414880 BKQZKQNATUOJFD-UHFFFAOYSA-N 412.895 3.376 0 40 HGAB O=C(O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)c1cc(Cl)ccc1Cl 224933985 JDRUUUOQWBMXCC-UHFFFAOYSA-N 404.227 3.002 0 40 HGAB COCCCNC(=O)c1ccccc1NC(=O)Cc1cccc(Br)c1 225619121 VTJFTNVADQUWPA-UHFFFAOYSA-N 405.292 3.397 0 40 HGAB S=C(Nc1nc(N2CCOCC2)cc(N2Cc3ccccc3C2)n1)NC1CCCC1 226005726 CKEBPFICOVDMTN-UHFFFAOYSA-N 424.574 3.062 0 40 HGAB O=C(c1cc2ccccc2[nH]1)N1CCC[C@@H](Cc2n[nH]c(=O)n2-c2ccccc2F)C1 245108467 SYHQEVBHRJWZPN-HNNXBMFYSA-N 419.460 3.276 0 40 HGAB C[C@H](NC(=O)CCC(=O)N[C@H](C)CCc1ccccc1)[C@H]1COc2ccccc2O1 252445447 FOHPXYVEEPNWQT-KGVIQGDOSA-N 410.514 3.249 0 40 HGAB COc1ccccc1-c1nc2sc(=Cc3ccc(Br)cc3)c(=O)n2n1 254572277 NQAFLXYTHJSIGJ-UHFFFAOYSA-N 414.284 3.137 0 40 HGAB CO[C@@H]1CN(CC(=O)Nc2nc(-c3ccc(C)cc3)cs2)CC[C@]12CCCO2 257221013 DNDZKCHTJJVTPY-WIYYLYMNSA-N 401.532 3.327 0 40 HGAB CNC(=O)C1(Cc2ccc(-c3cccs3)cc2)CCN(C(=O)c2cnccn2)CC1 257226599 FLHTXXHFCJBAKJ-UHFFFAOYSA-N 420.538 3.416 0 40 HGAB O=S(=O)(c1ccc(F)c(F)c1)N1CCCC[C@H]1c1nnc(-c2ccccn2)o1 257246542 IUPLSCABVTYLRM-INIZCTEOSA-N 406.414 3.326 0 40 HGAB Cc1ncccc1C(=O)N1CCC[C@@](COc2cccc(Cl)c2)(CC(N)=O)C1 257264098 LSXPVKGQGRYGIP-OAQYLSRUSA-N 401.894 3.220 0 40 HGAB CSCC[C@H](N)C(=O)N1CC[C@H]2O[C@H]3c4ccccc4OC(C)(C)[C@@H]3C[C@H]2C1 257300752 RVOQANXPSPPFAD-SEEKVXKWSA-N 404.576 3.233 0 40 HGAB O=C(c1cccnc1)N1CCO[C@@H](c2cc(CCOc3ccc(Cl)cc3)[nH]n2)C1 257317498 VJYPYYXKMJYPEW-HXUWFJFHSA-N 412.877 3.293 0 40 HGAB O=C(Cc1c[nH]c2cccc(Br)c12)NCC1(N2CCCC2)CCOCC1 513773363 KYSYOMRLNPHPGK-UHFFFAOYSA-N 420.351 3.234 0 40 HGAB COC(=O)c1cn([C@@H](CC(=O)O)c2ccc(Cl)cc2Cl)cc2c(O)nnc1-2 524732481 HYCRMXCQLQSPDB-ZDUSSCGKSA-N 410.213 3.246 0 40 HGAB Cc1cc(C)nc(Nc2cc([C@H]3CCCN(C(=O)/C=C/c4cnc[nH]4)C3)nc(C)n2)n1 585290776 FIERXLRSXJDQAG-LXXRFIIISA-N 418.505 3.078 0 40 HGAB CCN1CCN(Cc2cnc(-c3ccccc3)nc2)CCOc2ccccc2CC1=O 643568808 GMMFERIXQNHVHD-UHFFFAOYSA-N 416.525 3.429 0 40 HGAB Cn1cc(CNC2CCN([C@@H]3CCCC[C@@H]3O)CC2)c(-c2cc(F)ccc2F)n1 1650762995 ASENRJGGZFNDNR-RTWAWAEBSA-N 404.505 3.223 0 40 HGAB COc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3c(C)cc(C)cc3C)CC2=O)cc1 800564 ITOSMFJJDZYEQK-QGZVFWFLSA-N 410.470 3.155 0 40 HGAB O=C(O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 953478 FHMLDKPFAYXUSA-AWEZNQCLSA-N 407.797 3.333 0 40 HGAB in-vitro Cc1cc(C)n(-c2ccc(C(=O)O[C@@H](C)C(=O)NCc3ccc4c(c3)OCO4)cc2)n1 2656666 VMMJUNLDFPARHF-INIZCTEOSA-N 421.453 3.080 0 40 HGAB CCn1cc(NC(=O)c2cccc(COc3ccc4c(c3)CCC4)c2)c(C(N)=O)n1 2799436 DIIOXMLYYFMELZ-UHFFFAOYSA-N 404.470 3.322 0 40 HGAB Cc1cc2ccccn2c1C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 3204280 ANUDPCQDUUNDSR-UHFFFAOYSA-N 418.902 3.153 0 40 HGAB COc1ccc(OCCC(=O)OCC(=O)Nc2cccc(Br)c2)cc1 3278612 OBCRJGICCVAMMW-UHFFFAOYSA-N 408.248 3.409 0 40 HGAB COC(=O)C1CCN(C(=O)CSc2nn(-c3ccccc3)c(=S)s2)CC1 3323901 BXQIJQATUHPMEQ-UHFFFAOYSA-N 409.558 3.167 0 40 HGAB O=C(Oc1ccc(Cl)cc1Cl)c1cccc(S(=O)(=O)N2CCOCC2)c1 3516986 ZOTUUPCRJLBMNR-UHFFFAOYSA-N 416.282 3.234 0 40 HGAB COc1ccc(CCNC(=O)Cc2c(C)c3ccc(O)c(C)c3oc2=O)cc1OC 4084315 KRTHPMQDKOHITR-UHFFFAOYSA-N 411.454 3.034 0 40 HGAB biogenic CCOC(=O)c1oc2ccccc2c1NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 4103909 HJTRMEGUGUEQFJ-UHFFFAOYSA-N 416.455 3.112 0 40 HGAB O=C(COc1ccc(Cl)cc1Cl)N(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 4302092 RRJHHRKRWDEWLX-CYBMUJFWSA-N 418.298 3.181 0 40 HGAB CCN(Cc1nc(-c2cccc(C)c2)no1)S(=O)(=O)c1ccc(NC(C)=O)cc1 4943917 PDDXEGNNXWNMGF-UHFFFAOYSA-N 414.487 3.214 0 40 HGAB O=C(COC(=O)COc1ccc(Cl)cc1Cl)Nc1ccc2c(c1)OCCO2 5043592 FFPBPFMSGICCFQ-UHFFFAOYSA-N 412.225 3.325 0 40 HGAB O=C(Nc1c2c(nn1-c1ccc(F)cc1)CS(=O)(=O)C2)c1cc2ccccc2o1 5078004 VQBHLLUZFBYMME-UHFFFAOYSA-N 411.414 3.438 0 40 HGAB CCCN1C(=O)S/C(=C/c2cc(Br)ccc2OCC(=O)O)C1=O 6656103 BPHDWAQQLBPWHK-KPKJPENVSA-N 400.250 3.359 0 40 HGAB COc1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2c(C)n[nH]c2C)cc1 6920329 ZEVZJMZFFUKGGC-UHFFFAOYSA-N 400.460 3.088 0 40 HGAB CC(=O)Nc1ccc(S[C@H](C)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)cc1 7028237 XRIACBWSYLWCOD-CYBMUJFWSA-N 421.544 3.015 0 40 HGAB Cc1cc(C(=O)O[C@@H](C)C(=O)c2ccc(NS(C)(=O)=O)cc2)c(C)n1C1CC1 7227533 GBHHMJPZQFVHSI-AWEZNQCLSA-N 404.488 3.240 0 40 HGAB O=C(Nc1ccc2c(c1)CCC2)[C@@H]1CCCCN1C1=NS(=O)(=O)c2ccccc21 7466610 HLOSGGZRHWMLKU-IBGZPJMESA-N 409.511 3.117 0 40 HGAB C[C@@H]1CN(C(=O)CSc2nnc(-c3c[nH]c4ccccc34)n2C2CC2)C[C@@H](C)O1 7789881 CBTLWJAWZHXEIU-ZIAGYGMSSA-N 411.531 3.489 0 40 HGAB CN(C)C1(CNC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)CCCCC1 7942326 KQVVLIODCMAVOW-UHFFFAOYSA-N 416.591 3.177 0 40 HGAB CC[C@@H](Oc1ccccc1OC)C(=O)Nc1cc(OC)c(OC)cc1C(=O)OC 8041603 BBDJANLWWZSMCP-OAHLLOKOSA-N 403.431 3.295 0 40 HGAB O=C(CN1C(=O)COc2ccccc21)N1CCC[C@H](c2nc3ccccc3s2)C1 8103597 HUIMIGOEFGOGII-HNNXBMFYSA-N 407.495 3.428 0 40 HGAB CCN(CC)S(=O)(=O)c1cccc(-c2nnc3n2N=C2CCCC[C@@H]2S3)c1 8342569 GCLDWVBGZPYINI-INIZCTEOSA-N 405.549 3.228 0 40 HGAB Cc1ccccc1NC(=O)Cn1nc(CNC(=O)c2ccccc2C)n(C)c1=S 8570982 GCTZRDPLBQFJBY-UHFFFAOYSA-N 409.515 3.137 0 40 HGAB CCCCNC(=O)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccc(OC)cc2)C1 8816103 KVIYBWLOZNXTBP-INIZCTEOSA-N 409.486 3.217 0 40 HGAB Cc1cccc(C(C)C)c1NC(=O)CSc1nnc(-c2n[nH]c3c2CCC3)n1N 9324680 RIXKTZNOCISMOA-UHFFFAOYSA-N 411.535 3.033 0 40 HGAB O=C(CSc1nnc(-c2ccncc2)n1C1CC1)N1CCC(c2ccccc2)=N1 9514326 MGULMNBJIVWLCA-UHFFFAOYSA-N 404.499 3.404 0 40 HGAB CCc1nnc(NC(=O)CSc2ncnc3c2cnn3-c2ccc(F)cc2)s1 9517654 JAMVNUSISIWXIZ-UHFFFAOYSA-N 415.479 3.099 0 40 HGAB O=C(Nc1nc(CC(=O)N2CCN(c3ccccc3)CC2)cs1)c1ccccc1 9573696 NCIDGPAILFNMGY-UHFFFAOYSA-N 406.511 3.287 0 40 HGAB O=C(NN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)c1ccc2ccccc2n1 9714402 BSJUULUMKSOWSY-UHFFFAOYSA-N 422.444 3.375 0 40 HGAB COc1ccc(N([C@@H](C)C(=O)N2CCc3ccccc3C2)S(C)(=O)=O)cc1Cl 10544407 LOPZAMFCAZNZDP-AWEZNQCLSA-N 422.934 3.088 0 40 HGAB COc1ccc2cc(C(=O)O[C@H](C(=O)N3CCOCC3)c3ccccc3)c(C)nc2c1 10726429 HICUMFWYNSZAKJ-QFIPXVFZSA-N 420.465 3.309 0 40 HGAB O=C(Cn1cnc2sccc2c1=O)N1N=C(c2cccs2)C[C@H]1c1ccco1 11505555 FMHBGUPRMIZSES-AWEZNQCLSA-N 410.480 3.490 0 40 HGAB CC(=O)c1ccc(NC(=O)CSc2ncnc3c2nnn3-c2ccc(F)cc2)cc1 11758624 GOLLXRICSUXROB-UHFFFAOYSA-N 422.445 3.283 0 40 HGAB CC(C)CC(=O)N1CCC[C@@H](c2nc(N3CCOCC3)ncc2-c2cccnc2)C1 12119447 LUKRJMWFCGGNQJ-LJQANCHMSA-N 409.534 3.127 0 40 HGAB O=C(CN1C(=O)[C@H]2CCCN2C(=O)c2ccccc21)Nc1ccc(F)c(Cl)c1 12146277 FVNMBLFWDUXMFJ-QGZVFWFLSA-N 401.825 3.069 0 40 HGAB CC[C@H](C)[C@@H](CO)NC(=O)COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1 12296806 LVUCAFLVXMAPCB-WMLDXEAASA-N 411.454 3.068 0 40 HGAB biogenic C/C(Cl)=C\CSc1nc2c(c(=O)[nH]c(=O)n2C)n1CCCc1ccccc1 12539104 TVUMUNNPBGYCFL-JLHYYAGUSA-N 404.923 3.291 0 40 HGAB CS(=O)(=O)c1ccc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1 12795687 GPRKSAYPBQOYTC-SFHVURJKSA-N 401.484 3.229 0 40 HGAB COC(=O)Cn1c(S[C@H](C)c2nc(C(C)(C)C)no2)nc2ccccc2c1=O 12892603 VFLIPSDSTOZWKJ-LLVKDONJSA-N 402.476 3.103 0 40 HGAB C[C@@H]1C(=O)N(C[C@H](O)COc2cccc(Br)c2)C(=O)N1c1ccccc1 12982516 GXWCGZOJEHMJNJ-CJNGLKHVSA-N 419.275 3.046 0 40 HGAB CC(C)(C)OC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OC(C)(C)C)[C@@H]1c1ccc(O)cc1 13564320 IAIPIVRRJFSQNH-ZHSNQQFMSA-N 420.502 3.115 0 40 HGAB Cn1c(CCNC(=O)[C@H]2CCCO2)nc2cc(NC(=O)Nc3ccccc3)ccc21 13734702 ZNXJYZZUVPSLAH-LJQANCHMSA-N 407.474 3.055 0 40 HGAB CCc1ccc(-c2noc(CN3C(=O)N[C@@]4(CCOc5ccccc54)C3=O)n2)cc1 14141177 PNTVXSISHGUYKI-JOCHJYFZSA-N 404.426 3.029 0 40 HGAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1csc2c1CC[C@@H](C)C2 14697152 YBRCNDBNKZNGAD-GFCCVEGCSA-N 408.545 3.384 0 40 HGAB CS(=O)(=O)c1cc(Cl)cnc1C1CCN(Cc2cnc3ccccc3n2)CC1 19573372 MOOWOEAQRCKBCI-UHFFFAOYSA-N 416.934 3.461 0 40 HGAB COc1ccccc1CN(C(=O)c1ccc(-n2cccn2)nc1)C1CCN(C)CC1 19663845 CTBSMUBJCUFKAF-UHFFFAOYSA-N 405.502 3.013 0 40 HGAB COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)C[C@H]1C(=O)Nc1ccccc1OC 19819160 SWSZYGVCDIFTHE-MRXNPFEDSA-N 412.417 3.273 0 40 HGAB CCC[C@H](C)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(OC)c(C)c1 20009066 WAINHJOGCVZNPG-PXNSSMCTSA-N 418.559 3.198 0 40 HGAB COc1ccc2[nH]cc(CCN3C[C@H](C(=O)N4CCc5ccccc54)CC3=O)c2c1 20259442 ZMKGZYMHGMJWTJ-GOSISDBHSA-N 403.482 3.157 0 40 HGAB C[C@H]1Cc2cc(C(=O)NCc3ccco3)ccc2N1S(=O)(=O)c1ccc(F)cc1 20449400 CRKIPXBEWDNXEV-AWEZNQCLSA-N 414.458 3.489 0 40 HGAB CCNC(=O)N[C@H]1CC[C@]2(C)CC[C@@H]([C@H](C)C(=O)NCc3ccco3)[C@H](O)[C@H]2[C@@H]1C 20467303 HAEVNKBSBWLOMO-ORZDUAMFSA-N 419.566 3.043 0 40 HGAB biogenic,in-vitro Oc1c([C@@H](c2cccs2)N2CCN(Cc3ccccc3)CC2)sc2ncnn12 22031042 FJZBOIJTGZBOTN-QGZVFWFLSA-N 411.556 3.465 0 40 HGAB C[C@@H]1CN(C(C)(C)CNC(=O)NCc2ccc(OC(F)(F)F)cc2)C[C@@H](C)O1 24970817 KBUWGHGYYRLVIY-ZIAGYGMSSA-N 403.445 3.272 0 40 HGAB COc1ccc(Nc2nnc(SCc3ccc(Cl)cc3)n(N)c2=O)cc1OC 28535617 MGLFPIXDEFFDTI-UHFFFAOYSA-N 419.894 3.059 0 40 HGAB O=C(NCc1ccc(Cn2ccnc2)cc1)C1CCN(C(=O)c2cccs2)CC1 28695185 OPTKMYAUBWAXIF-UHFFFAOYSA-N 408.527 3.162 0 40 HGAB O=C(NCc1ccc(C(F)(F)F)cc1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 29064464 FMJUEDWAFZFCSU-CYBMUJFWSA-N 406.360 3.103 0 40 HGAB O=C(c1cc2ccccc2oc1=O)N1CCC(C(=O)N2CCc3ccccc3C2)CC1 31185883 AVQFEJQTKSNVCF-UHFFFAOYSA-N 416.477 3.230 0 40 HGAB Cc1cc(CN(C)C(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)no1 31651629 SKLPQZJXZSJZEC-UHFFFAOYSA-N 403.435 3.195 0 40 HGAB CCOc1cc2c(cc1CNC(=O)c1[nH]c(CC)c(C(=O)OC)c1C)O[C@@H](C)C2 32741045 KNONNFKRVSDHKA-LBPRGKRZSA-N 400.475 3.324 0 40 HGAB COc1cc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccccc2)c(OC)cc1Cl 32796490 OAJYPFHNKJMUMK-MRXNPFEDSA-N 424.906 3.149 0 40 HGAB CCn1ccc([C@H](C)NC(=O)c2cc(-c3ccc(OC)cc3)nc3c2cnn3C)n1 36613261 BHRGHWLDHVOPHR-AWEZNQCLSA-N 404.474 3.351 0 40 HGAB COc1ccc([C@H](CNC(=O)c2cnn3c(C)cc(C)nc23)N2CCCCC2)cc1 40068943 UYHRGXJAIBWWKC-NRFANRHFSA-N 407.518 3.312 0 40 HGAB COC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc(C)cc1 41157283 YNZIMCUIVOUNKM-RTWAWAEBSA-N 410.514 3.040 0 40 HGAB Cc1ccc(S(=O)(=O)NC[C@H](c2ccc(F)cc2)N2CCOCC2)c(Cl)c1 48333728 YNYYUBFLZBXAEG-GOSISDBHSA-N 412.914 3.139 0 40 HGAB O=c1c2cc(-c3cccs3)nn2cnn1Cc1nc(-c2ccccc2Cl)no1 49004364 XBMXJYBIZCYCCH-UHFFFAOYSA-N 410.846 3.371 0 40 HGAB CCc1ccc(NC(=O)CN2C(=O)N[C@H](c3ccc(C)cc3)C3=C2COC3=O)cc1 49402851 LDNPVEXUDQENHX-OAQYLSRUSA-N 405.454 3.073 0 40 HGAB CC(C)CCn1c(=O)c2ccccc2n(CC(=O)N[C@H]2CCc3ccccc32)c1=O 57526224 LBUNFTRTOSKLPF-FQEVSTJZSA-N 405.498 3.013 0 40 HGAB O=C(CN(Cc1ccccc1)CC1CCC1)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 69947651 ZKZIHIUTUFRIIK-QFIPXVFZSA-N 418.603 3.247 0 40 HGAB Cc1nc(NC(=O)CN(C)c2nc3c(C)ccc(C)c3s2)sc1C(=O)N(C)C 70973974 YXFRDNHNNRTPNT-UHFFFAOYSA-N 417.560 3.455 0 40 HGAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c2c1[C@H](c1cccc(OCC(C)C)c1)CC(=O)N2 71279133 PMGPYRZRAQTVJR-AEFFLSMTSA-N 417.531 3.060 0 40 HGAB CCOC(=O)C[C@H](c1ccc(-c2ccc(F)cc2)o1)c1oc(CO)cc(=O)c1O 71280076 VYNDOMGFCXDQFU-OAHLLOKOSA-N 402.374 3.322 0 40 HGAB O=C(CN1CSCC1=O)Nc1sc2c(c1C(=O)c1cccs1)CCCC2 71819275 YIGASIBMZCAXCD-UHFFFAOYSA-N 406.554 3.391 0 40 HGAB CC(C)Cn1c(SCC(=O)Nc2cccc(C(=O)O)c2)nnc1-c1cccnc1 72191497 BBJJYOBOZUDGOO-UHFFFAOYSA-N 411.487 3.425 0 40 HGAB Cc1ccnc(Cl)c1NC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1 72300850 ZUNYACHMJFFDDB-KBPBESRZSA-N 423.922 3.094 0 40 HGAB CC1=C[C@@H](CNC(=O)COCC(=O)O)[C@H](C(C)C)C[C@H]1Cc1nc2ccccc2[nH]1 72320908 SKSKODGSHSZCIF-BZSNNMDCSA-N 413.518 3.177 0 40 HGAB biogenic,in-vitro O=C(CCSc1ccc(Br)cc1)NCCCOC[C@@H]1CCOC1 84419292 ZSECVKCNTKYURG-AWEZNQCLSA-N 402.354 3.491 0 40 HGAB CC[C@@H](NC(=O)c1ccc2c(c1)nc(C)n2C)[C@@H]1CN(Cc2ccccc2)CCO1 84727089 KVDNYOUQVVIMOU-OFNKIYASSA-N 406.530 3.291 0 40 HGAB COc1ccc(Cl)cc1NC(=O)COC(=O)C(C)(C)[C@H](O)c1cccc(O)c1 89621091 IWGNHNZJHKVIBN-GOSISDBHSA-N 407.850 3.296 0 40 HGAB COc1ccc(CN2CCN([C@H](C(=O)N3CCCC3)c3ccccc3)CC2)cc1OC 95347362 TUWNTWNPAAKTGJ-DEOSSOPVSA-N 423.557 3.185 0 40 HGAB O=C(NC[C@H]1COC2(CCCCC2)O1)c1cc(F)ccc1I 95463226 VNXIADGBBYBSNR-LBPRGKRZSA-N 419.234 3.236 0 40 HGAB Cc1nc2ccccc2n(CCNC(=O)CCCc2nc3ccccc3s2)c1=O 95943973 SPIAVAXEGRXLEU-UHFFFAOYSA-N 406.511 3.454 0 40 HGAB COc1ccc(C(=O)N2CCCN(c3cc(-c4ccc(OC)cc4)n[nH]3)CC2)cc1 98211647 JYBRJAKXDDLUOD-UHFFFAOYSA-N 406.486 3.446 0 40 HGAB CCN(CC)C(=O)c1cnc(C(C)C)nc1[C@H]1CC[C@H](CNC(=O)COC)CC1 100205674 LKBUEYNQZLNONF-CALCHBBNSA-N 404.555 3.118 0 40 HGAB Cc1cc(=O)n2c(n1)NC(N1CCC(Cc3ccccc3)CC1)=N[C@@H]2c1ccccn1 104280085 YQXJJYDSIMENRP-QFIPXVFZSA-N 414.513 3.230 0 40 HGAB COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1Cc1ccco1 223718334 PAHNFAFMWQCXHW-NHCUHLMSSA-N 424.526 3.450 0 40 HGAB CC1CCN(c2cc(N3CCCCC3)nc(NC(=S)NC[C@H]3CCCO3)n2)CC1 225907163 ALPMLHGBGOMZNC-QGZVFWFLSA-N 418.611 3.169 0 40 HGAB CC(C)(C)OC(=O)N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1N1CCC(F)(F)CC1 257213056 CFZLUXSSAJAXSK-BDXSIMOUSA-N 412.477 3.192 0 40 HGAB O=C(O)CN(CCc1ccccc1F)C(=O)Cn1c(C(F)(F)F)nc2ccccc21 257238543 HLMVMEFNDBSNED-UHFFFAOYSA-N 423.366 3.350 0 40 HGAB O=C(c1cccc(O)c1)N1CC[C@@]2(COCc3cnc(NCc4ccccc4)nc32)C1 306135346 OOBMNSNDYPPKAK-DEOSSOPVSA-N 416.481 3.108 0 40 HGAB COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](C(=O)NC2CCCCC2)C1 408556531 DJFOMYNPXJZBFT-CQSZACIVSA-N 414.955 3.198 0 40 HGAB COCCNC(=O)c1cc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)ccc1C 408612105 YKAPBUVKOVDWSX-UHFFFAOYSA-N 417.314 3.479 0 40 HGAB O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)CCC1=O)c1cccs1 408645128 HKZFDIIJWNABMU-UHFFFAOYSA-N 411.266 3.444 0 40 HGAB COc1cccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)c1O 408866739 IKBPOJPONVPQJT-DHDCSXOGSA-N 402.403 3.215 0 40 HGAB CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cccn2-c2cccc(C(=O)O)c2)C1=O 409102431 ZPGBSLZYZLHKTG-JASJWYONSA-N 414.439 3.163 0 40 HGAB Cn1cc(C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCc2ccccn2)c2ccccc21 575442938 AUYBQMPMSLTAEO-HXUWFJFHSA-N 422.529 3.368 0 40 HGAB CNC(=O)CN1CCC[C@@H]1c1csc(NC(=O)c2ccc(C(F)(F)F)cc2)n1 585272826 RFCBEUBAIBUANZ-CQSZACIVSA-N 412.437 3.297 0 40 HGAB C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@@H](CN4CCC(N5CCCCC5)CC4)[C@H]3[C@@H](O)[C@@]21C 2102034 GQWCDWWREXSFDW-AMBFMMJXSA-N 416.606 3.222 0 40 HGAB biogenic CCCCc1cc(=O)oc2cc(OCC(=O)N[C@@H](Cc3ccccc3)C(=O)O)ccc12 2107791 ZSYSVZDAQKHYJN-FQEVSTJZSA-N 423.465 3.327 0 40 HGAB biogenic O=C(Nc1nc2c(s1)CCCC2)C1CCN(S(=O)(=O)c2cccs2)CC1 3379249 KMCKXPKMLMWUGR-UHFFFAOYSA-N 411.574 3.123 0 40 HGAB CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)c2cc(C)n(C[C@H]3CCCO3)c2C)C1=O 3453966 AGEXLUAZHVHRBN-DVECYGJZSA-N 423.513 3.324 0 40 HGAB Cc1cc(=O)oc2cc(OCc3ccc(C(=O)OCC(=O)NC4CC4)cc3)ccc12 4371492 FHFODXICODIIBD-UHFFFAOYSA-N 407.422 3.116 0 40 HGAB COc1cc(-c2nnc(COC(=O)c3cccc(N(C)C)c3)o2)cc(OC)c1OC 4505947 GESAACJFIDPRPD-UHFFFAOYSA-N 413.430 3.185 0 40 HGAB Cc1ccc(OCc2nnc(SCC(=O)NC3=NCCS3)n2C(C)C)c(C)c1 4736572 GVCNWTQEBDHSMK-UHFFFAOYSA-N 419.576 3.366 0 40 HGAB Nc1nc(-c2ccccc2)cc2nnc(SCC(=O)N3CCc4ccccc43)n12 4966075 DWTOARQISUNMQE-UHFFFAOYSA-N 402.483 3.055 0 40 HGAB CCOCCc1nnc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C2)s1 4975678 XLMWJTYSMWBPSZ-GFCCVEGCSA-N 408.911 3.071 0 40 HGAB Cc1ccc(CNC(=O)C(=O)NC[C@H](c2ccco2)N2CCc3ccccc32)cc1 5152784 QZEBPSPBMVIKIM-OAQYLSRUSA-N 403.482 3.124 0 40 HGAB CCOC(=O)[C@H](CC)Sc1nnc2c3cnn(-c4ccc(F)cc4)c3ncn12 5215871 LFCGVIDOGNLIEJ-AWEZNQCLSA-N 400.439 3.036 0 40 HGAB Cc1cc(Cl)cc(C)c1OCC(=O)O[C@@H](C(=O)N1CCOCC1)c1ccccc1 5472431 VSSJKKYIACDTRE-OAQYLSRUSA-N 417.889 3.479 0 40 HGAB C[C@@H]1CCC[C@@H](NC(=O)COC(=O)c2ccc(I)cc2)[C@@H]1C 5838952 AWURNTZRMJTBRE-LALPHHSUSA-N 415.271 3.389 0 40 HGAB CCOC(=O)c1[nH]c(C)c(C(=O)O[C@H](C)C(=O)Nc2ccc(N(C)C)cc2)c1C 6612882 IOALWNFQVFHGMN-CQSZACIVSA-N 401.463 3.058 0 40 HGAB Cc1occc1-c1nnc(SCC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)n1C 7217188 CHZXUJQECNIJCI-LBPRGKRZSA-N 411.487 3.240 0 40 HGAB COc1ccc(C)cc1-n1nnnc1S[C@H](C)C(=O)N1CCc2ccccc2C1 7584560 FHHCBASFKKDJMD-OAHLLOKOSA-N 409.515 3.045 0 40 HGAB COc1cccc(N2CCN(C(=O)[C@@H]3CC(=O)N(c4ccccc4Cl)C3)CC2)c1 7777205 YTZMFHYFFJZFNF-MRXNPFEDSA-N 413.905 3.050 0 40 HGAB CCOC(=O)C1=C(CSc2nnc(Nc3ccc(C)c(C)c3)s2)NC(=O)NC1 8457659 QGEOCYVWDRKDMD-UHFFFAOYSA-N 419.532 3.121 0 40 HGAB CCOc1ccc(-c2cc3c(=O)n(CC(=O)NCc4ccc(C)cc4)ccn3n2)cc1 8608756 YVIKYYOIDYIIKI-UHFFFAOYSA-N 416.481 3.187 0 40 HGAB COc1cccc(CN(C)C(=O)[C@@H]2CC(=O)N(c3cccc(SC)c3)C2)c1OC 9337346 VZEBJWGAOXFQDA-MRXNPFEDSA-N 414.527 3.437 0 40 HGAB CCOc1ccc(Nc2ncccc2C(=O)OCC(=O)NC(=O)NC(C)(C)C)cc1 9478330 XIGRCISFAQYYBD-UHFFFAOYSA-N 414.462 3.005 0 40 HGAB O=C(NCCC1CCN(Cc2ccccc2)CC1)[C@@H]1CCCN(c2ncccn2)C1 9530526 URZRPGQWQMVCJO-JOCHJYFZSA-N 407.562 3.112 0 40 HGAB O=C(/C(=C/c1c(Cl)nc2ccccn12)c1nc2ccccc2[nH]1)N1CCOCC1 9549506 HNASUGBPELDCJY-BUHFOSPRSA-N 407.861 3.263 0 40 HGAB COc1cccc(C(=O)Nc2nc(-c3nnn(-c4ccccc4OC)c3C)ns2)c1 9639006 ZKPCCSXWQXQYCO-UHFFFAOYSA-N 422.470 3.364 0 40 HGAB CCOc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(OCC)c(C)c2)cc1 10301311 UCCRDDFAXQUVMB-UHFFFAOYSA-N 406.504 3.052 0 40 HGAB CCOc1cc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCCO)ccc1O 11916941 QLZDNPPBRGUIHI-HXUWFJFHSA-N 409.438 3.133 0 40 HGAB Cc1ncccc1C(=O)N(C[C@H]1CCCO1)c1nc2c(s1)CCc1c-2cnn1C 12146115 ULRFBSXGGGDMQU-CQSZACIVSA-N 409.515 3.171 0 40 HGAB Cn1c(=O)c2c(-c3ccc(F)cc3)n(-c3cccc4cccnc34)cc2n(C)c1=O 12324792 LARBFQFKSDQWQI-UHFFFAOYSA-N 400.413 3.382 0 40 HGAB C[C@@H](OC(=O)C[C@@H]1Sc2ccccc2NC1=O)C(=O)N1CCCc2ccccc21 12425268 UMMWHCKZLUUJDW-KUHUBIRLSA-N 410.495 3.401 0 40 HGAB Cc1c(C)c(C)c(S(=O)(=O)Nc2ccc(C(=O)NCCC(=O)O)cc2)c(C)c1C 12556992 QISNSOUAFPBAQT-UHFFFAOYSA-N 418.515 3.234 0 40 HGAB Cc1nc2c(cnn2C(C)C)c(C)c1CCC(=O)Nc1ccc(-n2cnnn2)cc1 12796711 VTHNBYYQCLUXCF-UHFFFAOYSA-N 404.478 3.176 0 40 HGAB CN(Cc1cnn(-c2ccccc2)c1)S(=O)(=O)c1cccc(Br)c1 12928427 PAYCIXGVOUQFIN-UHFFFAOYSA-N 406.305 3.456 0 40 HGAB O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)C1(c2ccccc2)CCCC1 12998794 XMYFQRUUYGSREV-UHFFFAOYSA-N 414.527 3.158 0 40 HGAB CCCNC(=O)c1ccccc1NC(=O)[C@@H](CC)N(c1ccccc1)S(C)(=O)=O 13685876 OQEIKONWJBJWHQ-LJQANCHMSA-N 417.531 3.010 0 40 HGAB Cc1ccc(NC(=O)CSc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)cc1C 14139826 XOPFEHSZTSBAPN-UHFFFAOYSA-N 405.483 3.456 0 40 HGAB O=C([C@H]1CC(=O)N(C2CC2)C1)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1 19369469 HOSSYHUVSIYMAM-IBGZPJMESA-N 418.537 3.172 0 40 HGAB O=C(c1cc(C2CCN(Cc3ccnc4ccccc34)CC2)no1)N1CCC[C@@H](O)C1 19376063 FXUKFYCALKXJAD-LJQANCHMSA-N 420.513 3.199 0 40 HGAB COCC(=O)N1CC[C@](Cc2ccccc2-c2cccs2)(C(=O)NC(C)C)C1 19449249 VPBWWVGSGWMWPT-JOCHJYFZSA-N 400.544 3.347 0 40 HGAB CCN1CCN(C(=O)c2cc[nH]n2)C[C@H](Cc2ccc(-c3cccs3)cc2)C1=O 19527429 YBGMMSXMOLRHOA-SFHVURJKSA-N 408.527 3.301 0 40 HGAB COCCN1Cc2cccc(C(=O)N[C@@H](c3ccncc3)c3cccs3)c2C1=O 19593445 NLFZWRLCECEBEF-FQEVSTJZSA-N 407.495 3.265 0 40 HGAB Cc1nn(C)cc1CN1CCC(c2nc(C)c3c(n2)N(C2CCCC2)C(=O)CC3)CC1 19739475 PHJBSSHBXUKXEL-UHFFFAOYSA-N 422.577 3.428 0 40 HGAB COc1ccc(OC)c2c(=O)c(CN3CCN(Cc4ccccc4)CC3)c(C)[nH]c12 19793607 PFRGHQOEDLHZOU-UHFFFAOYSA-N 407.514 3.172 0 40 HGAB CCOc1cccc(CNC(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)c1 20111379 YQTDTFFHNAASBT-UHFFFAOYSA-N 404.532 3.291 0 40 HGAB COc1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1I 20453392 IJIOKTBMMXETRX-UHFFFAOYSA-N 409.289 3.253 0 40 HGAB CCOC(=O)[C@H]1C(=O)N=C(N2CCc3ccccc3C2)N[C@@H]1c1ccc(Cl)cc1 20636717 BTTVJVNEYUYKJL-RTBURBONSA-N 411.889 3.105 0 40 HGAB Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)c1C 21308735 ILRSAONFNUKKSN-KRWDZBQOSA-N 402.516 3.494 0 40 HGAB CC[C@@H](NC(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O)c1ccc(OC)cc1 22331443 DHEFBANSLSFHJP-GOSISDBHSA-N 410.923 3.382 0 40 HGAB CNc1nn(CC(=O)Nc2ccc(C)cc2)c(N)c1-c1nc(-c2ccccc2C)no1 23125397 RRYCGODVWXXJMV-UHFFFAOYSA-N 417.473 3.480 0 40 HGAB COc1cc(Cl)c(C)cc1NC(=O)COc1ccccc1C(=O)N1CCOCC1 24990581 VGLMFWGRIKFLIM-UHFFFAOYSA-N 418.877 3.147 0 40 HGAB CCOc1ccc(S(=O)(=O)N2CCN(c3ccccc3OCC)CC2)cc1C 30288699 UCIZQMWAWPRMNO-UHFFFAOYSA-N 404.532 3.303 0 40 HGAB CCN(Cc1nc(COc2ccc(OC)cc2)no1)C[C@@H]1COc2ccccc2O1 32868770 UQXUYLSCIHIGHQ-GOSISDBHSA-N 411.458 3.319 0 40 HGAB Cn1ccnc1Sc1ccc(NC(=O)CN2C(=O)CCOc3ccccc32)cc1 32882935 QQWSHFNFDAJAOI-UHFFFAOYSA-N 408.483 3.326 0 40 HGAB COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)c1 33048500 CGBUHWJSPDOBJZ-UHFFFAOYSA-N 418.254 3.367 0 40 HGAB CSCC[C@H](NC(=O)[C@H]1Cc2ccccc2CN1)C(=O)Nc1cc(C)cc(C)c1 36550919 PDJBLAWXIUPELH-LEWJYISDSA-N 411.571 3.194 0 40 HGAB O=S(=O)(c1cccnc1)N1CCC[C@H](c2nnc(Cc3ccccc3)s2)C1 36705280 IKDFAUCJHQOURJ-INIZCTEOSA-N 400.529 3.092 0 40 HGAB COc1cc([C@H]2CC(=O)N=C3NC=NN32)cc(Cl)c1OCc1ccccc1F 38303596 IUOZWIZMBFYEHC-OAHLLOKOSA-N 402.813 3.243 0 40 HGAB C[C@H](Nc1ccc2c(c1)OCCCO2)C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 39972155 XRZFOQNQVACSEN-NSDYXAQKSA-N 413.518 3.443 0 40 HGAB CC(=O)Nc1cccc(-n2cnnc2SCc2cc(=O)oc3cc(O)ccc23)c1 40066746 YDESLAYJVYLUTL-UHFFFAOYSA-N 408.439 3.330 0 40 HGAB O=C(NCc1ccc(N2CCCCCC2)nc1)[C@H]1CCCN(C(=O)c2ccoc2)C1 40122096 VDCUJCCRGNIPDM-IBGZPJMESA-N 410.518 3.224 0 40 HGAB CCc1ccc([C@H](C)NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)cc1 42161841 VKSZBRZVFRMVNU-KRWDZBQOSA-N 416.543 3.069 0 40 HGAB O=C(Nc1ccc(N2CCCN(C(=O)C3CC3)CC2)cc1)c1cc(-c2ccco2)n[nH]1 42382826 RZYZEBXUHNGFBF-UHFFFAOYSA-N 419.485 3.371 0 40 HGAB CN(C(=O)Cn1c(=O)n(Cc2ccccc2F)c(=O)c2sccc21)c1ccccc1 57426752 QBGBZVKGNGSQQW-UHFFFAOYSA-N 423.469 3.075 0 40 HGAB COc1ccc([C@@H](O)CNC(=O)Nc2cc3c(cc2Br)OCCO3)cc1 57996527 UJKWDMYLJOHXHM-HNNXBMFYSA-N 423.263 3.084 0 40 HGAB CCCc1noc(CCCC(=O)NC[C@@H](O)c2ccc(OC(F)(F)F)cc2)n1 58173729 PBUUVHNPCRGBNU-CQSZACIVSA-N 401.385 3.093 0 40 HGAB Cc1cccc(-n2c(=O)c3sccc3n(CC(=O)N(C)c3ccccc3)c2=O)c1C 67218405 FZHMFWIWMAJTJV-UHFFFAOYSA-N 419.506 3.494 0 40 HGAB CCc1ccccc1NC(=O)CN1C(=O)N[C@H](c2cc(C)ccc2C)C2=C1COC2=O 67288650 RPJKGJVVESJPLD-JOCHJYFZSA-N 419.481 3.382 0 40 HGAB CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1cccc(C(=O)O)c1 72191561 PYCGQIUDLHLDIK-UHFFFAOYSA-N 412.471 3.306 0 40 HGAB C[C@H](OC(=O)[C@@H]1SCCc2ccccc21)C(=O)c1ccc(NS(C)(=O)=O)cc1 78951648 VKMLINHDBJABKC-ORAYPTAESA-N 419.524 3.203 0 40 HGAB CCC(CC)[C@H](CCNC(=O)c1ccc(S(=O)(=O)N2CCCCC2)o1)OC 84727355 BTVDPPMOGRPJGK-INIZCTEOSA-N 400.541 3.025 0 40 HGAB Cc1c(C(=O)N2CCN(c3ccc4nnc(C)n4n3)CC2)sc2ccc(F)cc12 89568201 RHGVLLGYACXGRE-UHFFFAOYSA-N 410.478 3.057 0 40 HGAB O=C(Nc1ccc(S(=O)(=O)Nc2nncs2)cc1)C1(c2ccc(F)cc2)CC1 95451161 SEMWMTYMCHKWEG-UHFFFAOYSA-N 418.475 3.148 0 40 HGAB O=C1c2cccc3c(N(CCO)CCO)ccc(c23)C(=O)N1c1ccc(Cl)cc1 95470891 UORLPHZVENWRQG-UHFFFAOYSA-N 410.857 3.085 0 40 HGAB O=C(NCc1ccccc1)[C@@H]1C[C@H](C(=O)NCc2ccccc2)N1Cc1ccccc1 98095607 ZDKQZLBPKVUZJV-PSWAGMNNSA-N 413.521 3.262 0 40 HGAB CC(=O)C1C(=O)[C@@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 100709132 XNWBXIRIABZIIO-FAHRAOARSA-N 410.895 3.421 0 40 HGAB Cc1c(Cl)ccc2c1NC(=O)[C@@]21[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@H]2CCCN21 101344582 OIQLTZDNZIKXLG-NWFVXXGESA-N 421.884 3.080 0 40 HGAB COc1cc2c(cc1NC(=O)CN1C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C1=O)oc1ccccc12 102972346 OCARDVOLHXUJNA-TXMYPURDSA-N 416.433 3.340 0 40 HGAB CC[C@@H](NC(=O)CCCN(C)S(=O)(=O)c1ccccc1)c1ccc(OC)cc1 219725668 SNMBATUBRZIHCD-HXUWFJFHSA-N 404.532 3.363 0 40 HGAB COCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(C(=O)O)cc1 223023045 URQXDIIDKGYQJY-VQTJNVASSA-N 422.510 3.189 0 40 HGAB CCCCOC(=O)c1ccc(NS(=O)(=O)c2ccc(N(C)C(C)=O)cc2)cc1 223272974 IZWQVPMGTPZZDB-UHFFFAOYSA-N 404.488 3.427 0 40 HGAB CCOC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)CC)c1 224444357 GQZDLPNRKYEUBV-UHFFFAOYSA-N 416.499 3.272 0 40 HGAB Cc1ccc(OC[C@H](C)NC(=S)Nc2cccc(N(C)S(C)(=O)=O)c2)cc1C 225790439 WOTRICUMOFSZFT-INIZCTEOSA-N 421.588 3.453 0 40 HGAB Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)NCc1ccc(NS(C)(=O)=O)cc1 515523419 MOVATAQDMXAEOE-UHFFFAOYSA-N 424.588 3.451 0 40 HGAB O=C1CN(C(=O)CN2CCC[C@H](c3n[nH]c(C4CCCCC4)n3)C2)c2ccccc2N1 537560941 KJRWFFYMYFMSRW-KRWDZBQOSA-N 422.533 3.017 0 40 HGAB Cc1noc(C)c1C(=O)N1CCC[C@]2(CN(C)Cc3c(-c4ccccc4)ncn32)C1 585107432 VQVHEJUKBVVNJR-QHCPKHFHSA-N 405.502 3.232 0 40 HGAB C=CC(=O)Nc1ccc(O)c(C(=O)N[C@@]23CCC[C@@H]2N(C(=O)OC(C)(C)C)CC3)c1 1633957635 AMCWSVYJGPTDFD-HTAPYJJXSA-N 415.490 3.179 0 40 HGAB O=c1c2cc(F)c(F)cc2nc(SCc2nc(-c3cnccn3)no2)n1C1CC1 2087168524 AZJVXHYRGXWWKS-UHFFFAOYSA-N 414.397 3.142 0 40 HGAB CCOc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3cccc(C)c3C)CC2=O)cc1 800371 DKWTUXLJTUFHJD-QGZVFWFLSA-N 410.470 3.237 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(C)cc3)CC2)cc1OC 806887 ZHPDEFCWABJAMN-UHFFFAOYSA-N 418.515 3.052 0 40 HGAB NC(=O)c1c(NC(=O)Cn2nc(C(F)(F)F)c3c2CCC3)sc2c1CCCC2 869853 SSIXKUOOQFDUKN-UHFFFAOYSA-N 412.437 3.069 0 40 HGAB COc1ccccc1-c1nc2s/c(=C\c3ccc(Br)cc3)c(=O)n2n1 2702651 NQAFLXYTHJSIGJ-GDNBJRDFSA-N 414.284 3.137 0 40 HGAB CCNC(=O)NC(=O)[C@H](C)Sc1nc2cc(Cl)ccc2c(=O)n1CC(C)C 3378953 HUNBJLFXVIAIFP-NSHDSACASA-N 410.927 3.032 0 40 HGAB C[C@@]1(c2ccc(Cl)cc2Cl)NC(=O)N(CC(=O)NCC2CCCCC2)C1=O 3595157 JQPDUNZMIWBKLA-IBGZPJMESA-N 412.317 3.457 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccncc3)cs2)cc1 4063214 KWIORKSRUUSJSQ-UHFFFAOYSA-N 416.528 3.488 0 40 HGAB CC(=O)Nc1ccc2nc(NC(=O)c3ccc(N4C(=O)CCC4=O)cc3)sc2c1 4072507 DDFPOLFYIBYHPR-UHFFFAOYSA-N 408.439 3.160 0 40 HGAB COCCCNC(=S)N(Cc1cc2cc(C)c(C)cc2[nH]c1=O)C[C@@H]1CCCO1 4133008 MGYJYYMXHHAGCR-IBGZPJMESA-N 417.575 3.037 0 40 HGAB COc1ccc(-c2nnn(C3CCN(C(=O)Nc4ccccc4)CC3)n2)cc1OC 4477347 BBGJFJYDNAQJBG-UHFFFAOYSA-N 408.462 3.226 0 40 HGAB COc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(SCc4ccccc4)nn32)cc1 4735702 PEXUHYJRKYGAGJ-INIZCTEOSA-N 409.471 3.101 0 40 HGAB CCOC(=O)C1CCN(C(=O)COC(=O)C(c2ccccc2)c2ccccc2)CC1 4863516 QVEPJIKAXVQMFP-UHFFFAOYSA-N 409.482 3.163 0 40 HGAB Cc1cc(NC(=O)COC(=O)c2cc3ccccc3oc2=O)n(-c2ccccc2)n1 5739172 QLSWXJSBFJBNQP-UHFFFAOYSA-N 403.394 3.083 0 40 HGAB Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)N3CCCc4ccccc43)s2)cc1 6817950 PTCPTMZHUKAACZ-UHFFFAOYSA-N 414.512 3.240 0 40 HGAB C[C@H](Sc1nnc(-c2ccco2)o1)C(=O)Nc1sc2c(c1C(N)=O)CCC2 7357777 NGDZDHYDPDPQPV-QMMMGPOBSA-N 404.473 3.098 0 40 HGAB CCCCCC[C@]1(C)NC(=O)N(CC(=O)c2c(C)[nH]c(C)c2C(=O)OCC)C1=O 7737882 HNLXUTRAMPHDOC-NRFANRHFSA-N 405.495 3.272 0 40 HGAB CCOC(=O)c1sc(NC(=O)[C@@H](NC(=O)c2ccc(OC)cc2)C(C)C)nc1C 7813964 USTYQOBJZCCARQ-HNNXBMFYSA-N 419.503 3.030 0 40 HGAB CCN(CC)S(=O)(=O)c1cc(NCC(=O)N2CCc3ccccc32)ccc1C 7973258 DXVAWBHMVCXBLR-UHFFFAOYSA-N 401.532 3.027 0 40 HGAB CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)CC(=O)N1CCc2ccccc2C1 8065623 QXBRACMVLROQJK-UHFFFAOYSA-N 406.313 3.449 0 40 HGAB COc1ccc(CC[C@]2(C)NC(=O)N([C@H](C)C(=O)Nc3ccccc3F)C2=O)cc1 8389256 WQMCFMVBFRABTE-PEBXRYMYSA-N 413.449 3.105 0 40 HGAB Cc1cccc(NC(=O)CN(C)C(=O)CCS(=O)(=O)c2ccc(Cl)cc2)c1C 8414235 UECPLXIZJPWTEQ-UHFFFAOYSA-N 422.934 3.218 0 40 HGAB O=C(Nc1ccc(OC(F)(F)F)cc1)C1CCN(c2ncnc3[nH]cnc23)CC1 9059805 KMLHPWZHRJPBMQ-UHFFFAOYSA-N 406.368 3.107 0 40 HGAB COc1cc(C)c(C)cc1S(=O)(=O)Nc1ccc2c(c1)OCC(C)(C)C(=O)N2C 9165689 JSOYUPOVFYUYLZ-UHFFFAOYSA-N 418.515 3.494 0 40 HGAB COc1ccc(CN2C(=O)N[C@@H](CCC(=O)Nc3cccc(Cl)c3)C2=O)cc1 9419407 GPEKZMQTFQGABI-KRWDZBQOSA-N 401.850 3.188 0 40 HGAB CC(=O)Nc1ccc(NC(=O)[C@H](C)N(c2cc(C)ccc2C)S(C)(=O)=O)cc1 10329479 RJMZSIUNUTWEIK-HNNXBMFYSA-N 403.504 3.055 0 40 HGAB C[C@@H]1CCc2[nH]c3ccc(C(=O)NCc4ccc(CS(N)(=O)=O)cc4)cc3c2C1 10705823 PVRYLOZWYZOTIF-CQSZACIVSA-N 411.527 3.011 0 40 HGAB CCCS(=O)(=O)N1CCc2ccc(NC(=O)COc3ccc(Cl)cc3)cc2C1 11613155 OLFLOYFDERMJDD-UHFFFAOYSA-N 422.934 3.455 0 40 HGAB Cc1nccn1CC1(O)CCN(C(=O)Cc2csc(-c3ccccc3F)n2)CC1 12143536 PBRKLLONLWBBLJ-UHFFFAOYSA-N 414.506 3.050 0 40 HGAB CC1(C)O[C@@H]2O[C@H](C(=O)Nc3cccc(C(F)(F)F)c3)[C@@H]3OC(C)(C)O[C@@H]3[C@@H]2O1 12406369 JPMRKXGFGGGORQ-BLDNINTCSA-N 417.380 3.040 0 40 HGAB biogenic COc1cc(C(=O)N[C@@H](C)c2ccc(CC(C)C)cc2)cc(OC)c1OCC(N)=O 12768735 MRLUPFSBYMYMFI-HNNXBMFYSA-N 414.502 3.257 0 40 HGAB C[C@H](Sc1nc2cc(Cl)ccc2c(=O)n1CCC(=O)O)C(=O)NC1CCCC1 13176982 ONTHAYDDNXSGQM-NSHDSACASA-N 423.922 3.064 0 40 HGAB CC(=O)Nc1ccc(C(=O)Nc2nnc([C@H]3CC(=O)N(c4ccccc4)C3)s2)cc1 13944312 PWNPBLJBOFTKOW-HNNXBMFYSA-N 421.482 3.269 0 40 HGAB C[C@@H](CCc1ccccc1)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 14184417 GKDXOOWSXUCWBY-HKUYNNGSSA-N 418.534 3.364 0 40 HGAB COc1ccc(Br)c(C(=O)NCc2ccc(CN3CCOCC3)cc2)c1 14229106 JHNNLWUVDBJHQI-UHFFFAOYSA-N 419.319 3.220 0 40 HGAB Cc1cc(=O)oc2cc(OCC(=O)N3CC[C@@]4(O)CCCC[C@@H]4C3)c(Cl)cc12 16032500 BTQSOPJJNTXHCY-SZNDQCEHSA-N 405.878 3.287 0 40 HGAB biogenic Cc1nn2c(nc(NCc3ccc(S(N)(=O)=O)cc3)c3ccccc32)c1Cl 16737785 KJOHNMWJLJIYDP-UHFFFAOYSA-N 401.879 3.104 0 40 HGAB Cn1ncc(-c2ccnc(N3CCCC3)n2)c1[C@H]1CCCN1C(=O)c1ccccc1 19288620 WQAURMXMVIZRQM-HXUWFJFHSA-N 402.502 3.455 0 40 HGAB CCc1ccc(Nc2nc(N)nc(CN3CCN(Cc4ccccc4)CC3)n2)cc1 19944375 HBWPVRIWFJDGQF-UHFFFAOYSA-N 403.534 3.078 0 40 HGAB O=C(NC1CCCCC1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1 20007588 CFYAUXLLJOOXSG-FQEVSTJZSA-N 404.507 3.164 0 40 HGAB Nn1c(SCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)nnc1C(F)(F)F 20817694 REPSWAUIXSVKGW-UHFFFAOYSA-N 419.738 3.414 0 40 HGAB Cc1nc(COc2ccccc2C(=O)Nc2ccc(N3CCN(C)CC3)c(C)c2)no1 21487856 KKESZVOKUCGEGI-UHFFFAOYSA-N 421.501 3.270 0 40 HGAB C[C@H](Sc1nnc(N2CCCC2)n1Cc1ccco1)C(=O)NCc1ccccc1 21701721 SADFGQXZEUCOCY-INIZCTEOSA-N 411.531 3.317 0 40 HGAB CC(C)C[C@H](NC(=O)CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O)c1ccccc1 22026222 LEQXTZZGHHKNRI-CYFREDJKSA-N 421.497 3.120 0 40 HGAB COCCNC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(C)cc1 22275692 VBROVTWZKYZUQD-UHFFFAOYSA-N 404.532 3.076 0 40 HGAB O=C1CCc2cc(OCC(=O)OCc3cc(Cl)cc4c3OCOC4)ccc2N1 22520438 NYZGUIAMEBARDN-UHFFFAOYSA-N 403.818 3.213 0 40 HGAB C[C@@H](C(=O)NCCc1ccccc1)N1CCN(Cc2nc3ccccc3s2)CC1 22810858 VFEHBKRMRYYUKN-SFHVURJKSA-N 408.571 3.161 0 40 HGAB Cc1nc2sc([C@H](c3ccco3)N3CCN(c4ccc(F)cc4)CC3)c(O)n2n1 23158143 DFWFTQWBUBMXID-KRWDZBQOSA-N 413.478 3.449 0 40 HGAB C[C@H](Sc1nc2ccccc2c(=O)n1CCCO)C(=O)N1c2ccccc2C[C@@H]1C 23885250 ZLBPIKKIJUBGQD-HOTGVXAUSA-N 423.538 3.237 0 40 HGAB Cc1cc(N2CCN(C(=O)CCc3nc(-c4ccccc4)no3)CC2)nc(C(C)C)n1 24219443 BYXNRJJOHGSZND-UHFFFAOYSA-N 420.517 3.240 0 40 HGAB O=C(CCN1CCSC1=O)NCCSCc1ccc(Br)s1 24282228 YILYXGTXGZWHIT-UHFFFAOYSA-N 409.396 3.419 0 40 HGAB Cc1cc(C(=O)CCC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c(C)s1 24497478 ATQNCDLTTMLOLZ-UHFFFAOYSA-N 414.527 3.401 0 40 HGAB CC(C)CC[C@H](C)N(C[C@@H](O)COCc1ccco1)C[C@@H](O)COCc1ccco1 25051822 GMVQJAPQQYZGFA-PWRODBHTSA-N 423.550 3.455 0 40 HGAB COc1ccc(C(=O)N[C@@H](C(=O)c2ccccc2)S(=O)(=O)c2ccccc2)cc1 27016132 VFQINABXNBLYHI-JOCHJYFZSA-N 409.463 3.108 0 40 HGAB O=C(Cc1ccc(-c2ccccc2)cc1)N1CCCN(CC(=O)N2CCCC2)CC1 28092187 AHLNRJZOGBYAQC-UHFFFAOYSA-N 405.542 3.053 0 40 HGAB CC(C)c1ccc(CN(C2CC2)S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)cc1 29345783 QVYOOEJSFVVLBD-UHFFFAOYSA-N 400.500 3.494 0 40 HGAB CCCCCOc1cc(C)c(C)cc1S(=O)(=O)N1CCN(C(=O)OCC)CC1 31903960 YVJVTTBCJSHCCM-UHFFFAOYSA-N 412.552 3.335 0 40 HGAB CCCS(=O)(=O)c1ncc(Cl)c(C(=O)Oc2ccc(Cl)cc2C(C)=O)n1 32623371 ZQIFNWVXLFQYAD-UHFFFAOYSA-N 417.270 3.389 0 40 HGAB CC[C@H](C)c1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc(C)n3)CC2)cc1 32909335 CHOVXKMXCZIVLB-INIZCTEOSA-N 401.532 3.050 0 40 HGAB C[C@@H]1C[C@H]1C(=O)NCCC(=O)Nc1cc(Br)ccc1Br 33168546 XROMGDQVDCCOGC-PSASIEDQSA-N 404.102 3.312 0 40 HGAB O=C(NCC(F)(F)F)c1ccc(NC(=O)[C@@H]2CC(c3cccc(F)c3)=NO2)cc1 36397613 ZFTGMKGRQGHWGL-INIZCTEOSA-N 409.339 3.250 0 40 HGAB COc1cccc(CCc2nnc(NC(=O)c3nc(C)n(-c4ccccc4)n3)s2)c1 36752774 JSHCPSGGGGKQLD-UHFFFAOYSA-N 420.498 3.473 0 40 HGAB Cc1c(NC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)c(=O)n(-c2ccccc2)n1C 38850166 MVXDUKLRAWYYFN-IBGZPJMESA-N 422.504 3.474 0 40 HGAB Cn1ccnc1COc1ccc(C(=O)N[C@H](c2ccc(F)cc2)c2nccn2C)cc1 40119438 YKEBCTJUSOSGQS-OAQYLSRUSA-N 419.460 3.391 0 40 HGAB Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)N1CCN(C(=O)c2ccccc2)CC1 40129760 AMBCUCYSLBXSLF-UHFFFAOYSA-N 420.488 3.155 0 40 HGAB Cc1ccc(NS(=O)(=O)c2ccc(C(=O)NC[C@@H](C)Cn3ccnc3)cc2)cc1 40139407 OMAOWWFEOJVCOE-QGZVFWFLSA-N 412.515 3.058 0 40 HGAB Cc1cc2c(=O)[nH]c(CSCC(=O)NCCc3c[nH]c4ccccc34)nc2s1 44903810 BZOUVFODRNIBEA-UHFFFAOYSA-N 412.540 3.366 0 40 HGAB NC(=O)CCn1c(SCc2ccn(-c3ccccc3)n2)nnc1-c1cccs1 58438679 QXSWVTXWZXBRSP-UHFFFAOYSA-N 410.528 3.360 0 40 HGAB COc1cc(C(=O)N2CCC(C(=O)NC3CCCCC3)CC2)cc(OC)c1OC 65803276 LZONGJDHRKWXON-UHFFFAOYSA-N 404.507 3.014 0 40 HGAB Cc1ccc(OCCNC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)cc1 68755332 NXLFEJMQRAVTPZ-UHFFFAOYSA-N 416.543 3.287 0 40 HGAB Cn1nc([C@H]2CCCN(C(=O)c3ccc4ncsc4c3)C2)n(-c2ccccc2)c1=O 77100552 WHSKYVZDDYJLEH-INIZCTEOSA-N 419.510 3.201 0 40 HGAB O=C(NCCc1nc2c(c(C(F)(F)F)n1)CCCC2)c1ccc2nsnc2c1 77101211 LAEGTONRCVPBDV-UHFFFAOYSA-N 407.421 3.351 0 40 HGAB COCCn1cc(C(=O)NCCn2ccc3c(OC)cccc32)c2ccccc2c1=O 79193124 DYALJVHSRVCBJQ-UHFFFAOYSA-N 419.481 3.041 0 40 HGAB biogenic OC[C@H]1CCCN(c2ncc3c(n2)C[C@H]2CC[C@H]3N2Cc2cccc(F)c2F)C1 100121027 UZHFFBBYYLGTCA-YYFZDKIDSA-N 400.473 3.225 0 40 HGAB Cc1occc1-c1cc2nc3c(c(O)n2n1)CCN(Cc1cnc(C(C)C)nc1)C3 100182308 OJHQGIVPGVOZKF-UHFFFAOYSA-N 404.474 3.475 0 40 HGAB COc1cc(OC)c(N2C(=O)C[C@H](Sc3ccccc3C(=O)O)C2=O)cc1Cl 102693865 JFMIWUMTSHOLAC-INIZCTEOSA-N 421.858 3.480 0 40 HGAB COC(=O)C1(NC(=O)N2CCCC3=C[C@H]4C[C@@H](CN5CCCC[C@@H]45)[C@H]32)CCCCC1 108523488 AXQFVZANACODJQ-TUFLPTIASA-N 415.578 3.467 0 40 HGAB O=S(=O)(c1ccc(F)cc1)[C@@H]1CCCN(S(=O)(=O)c2ccccc2Cl)C1 211106226 UPPHXMNBXJUDKR-OAHLLOKOSA-N 417.911 3.106 0 40 HGAB CC[C@@H](C(=O)NCCCc1ccc(F)cc1)N(c1cccc(C)c1)S(C)(=O)=O 220515808 JLVQRNJWQWIKBB-FQEVSTJZSA-N 406.523 3.428 0 40 HGAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1cccc(N(C)S(C)(=O)=O)c1 222422977 CKYHGAOVBJMDTO-GOSISDBHSA-N 418.515 3.123 0 40 HGAB CN(c1cccc(C(=O)NCc2ccc3c(c2)OCO3)c1)S(=O)(=O)c1ccccc1 222533058 JFKVDMZVCBTZFF-UHFFFAOYSA-N 424.478 3.170 0 40 HGAB CC[C@H](C(=O)NCCSC1CCCC1)N(c1ccc(OC)cc1)S(C)(=O)=O 223999635 DYGCMRPFLIPPMA-GOSISDBHSA-N 414.593 3.032 0 40 HGAB CSc1ccc(S(=O)(=O)N[C@@H](C)COc2ccc(C)cc2)cc1NC(C)=O 224830457 SSJILUWYLORPNA-AWEZNQCLSA-N 408.545 3.421 0 40 HGAB COc1ccccc1OCCNC(=O)c1ccc(C)cc1I 225029872 GMNBFTOMQAVUDZ-UHFFFAOYSA-N 411.239 3.417 0 40 HGAB COc1ccc(N(CCCC(=O)N2c3ccccc3C[C@@H]2C)S(C)(=O)=O)cc1 225127989 HCKBAPPMEDBZCJ-INIZCTEOSA-N 402.516 3.219 0 40 HGAB CNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)Cc1ccccc1F 225496221 ZPISFUPXSWWJME-ZDUSSCGKSA-N 407.283 3.294 0 40 HGAB COc1ccc(NC(=O)[C@]2(C)CCN(c3c(C)cccc3C)S2(=O)=O)cc1OC 225947176 MCCPDJXBAKQKSX-NRFANRHFSA-N 418.515 3.258 0 40 HGAB Cc1nc([C@H]2CCN(C(=O)C3CCC3)C2)nc(C)c1CC(=O)NCc1ccc(F)cc1 257204321 ATYXDFQKEADPHA-IBGZPJMESA-N 424.520 3.207 0 40 HGAB Cc1nc2cc([C@H]3CCCN3C(=O)C3CC3)nn2c(C)c1CCC(=O)NC1CCCC1 257223355 DWYVINIETVGREP-OAQYLSRUSA-N 423.561 3.411 0 40 HGAB CC(=O)N1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)Cn1ccnc1 257259993 LAYASQPMZSIEKO-ACUMWEPGSA-N 420.557 3.275 0 40 HGAB Cc1cc(-c2ccc(F)cc2)cc([C@H]2CCCN(S(=O)(=O)c3cn(C)cn3)C2)n1 257313246 URNWYPFNIOJJNK-KRWDZBQOSA-N 414.506 3.498 0 40 HGAB CC[C@@H](C)NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(OC)c(Cl)c1 408581869 AYFKWTKTHTXVNN-OAHLLOKOSA-N 424.950 3.454 0 40 HGAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccc(OC)cc2)cc1Cl 408606989 POPMZNSVSNMGQO-LBPRGKRZSA-N 412.895 3.053 0 40 HGAB COc1ccccc1NC(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O 409025177 NCYLRUXNWHPFMP-UHFFFAOYSA-N 403.287 3.407 0 40 HGAB COc1ccc(/C=C2\SC(=O)N(CC(=O)N(C(C)C)C(C)C)C2=O)c(OC)c1 409211823 NESMCCPOEVWEOD-MFOYZWKCSA-N 406.504 3.386 0 40 HGAB COc1ccccc1NC(=O)CN1C(=O)S/C(=C\c2ccc(C(=O)O)cc2)C1=O 409340943 CNZDNJIPLFZTDT-YBEGLDIGSA-N 412.423 3.068 0 40 HGAB COc1ccc2nc(C[C@H]3CN(C(=O)c4ccccc4)CC[C@H]3CC(=O)O)[nH]c2c1 514289572 VJBPBZGCYPLOCN-IRXDYDNUSA-N 407.470 3.367 0 40 HGAB biogenic,in-vitro CC(=O)Nc1ccc(Cl)c(NC(=O)N2CCN(c3nc(C)cc(C)n3)CC2)c1 541184998 XMTJYEGXUNKJLE-UHFFFAOYSA-N 402.886 3.059 0 40 HGAB Cc1noc([C@H]2CCCN2C(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)n1 557778933 DHBVGCQDPJCWRA-GOSISDBHSA-N 412.471 3.156 0 40 HGAB O=C(Cc1ccc2c(c1)CCCO2)N1CC2(C[C@@H](OCC3CCOCC3)CS2)C1 575404270 MXBDKEXRMSSUKG-HXUWFJFHSA-N 417.571 3.084 0 40 HGAB COCCN(C[C@H]1CC2(CCN(C(=O)COc3ccc(C)cc3)CC2)CO1)C(C)C 585104572 QLTNZZADTSCXBC-JOCHJYFZSA-N 418.578 3.128 0 40 HGAB CC1(C)Cc2cccc(OCC(=O)N3CCC(n4nc(C5CC5)ccc4=O)CC3)c2O1 1775965565 DCXBOBPOQWNHRS-UHFFFAOYSA-N 423.513 3.077 0 40 HGAB CO[C@H]1C[C@@H]2CN(C3CCN(C(C)=O)CC3)C[C@@H]2C[C@@H]1n1c(C)nc2ccccc21 2332242884 XOHCLJINGYCPDM-PLWWPAAYSA-N 410.562 3.254 0 40 HGAB O=C(c1ccccc1)c1nn(-c2ccccc2)c2nnc(Cc3ccccc3)c(=O)n12 624422 BDEWGISJDKYNEO-UHFFFAOYSA-N 407.433 3.097 0 40 HGAB COc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)cc1OC 792553 LJJQVAZSXAJTMH-UHFFFAOYSA-N 418.515 3.377 0 40 HGAB COc1ccccc1N1CCN(C(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)CC1 869765 FZKBAZYYESIYDB-UHFFFAOYSA-N 422.451 3.138 0 40 HGAB CC(C)c1ccc(O[C@H](C)C(=O)N(Cc2ccco2)[C@@H]2CCS(=O)(=O)C2)cc1 2406081 PTQHKOKHKHKSHH-SJLPKXTDSA-N 405.516 3.386 0 40 HGAB NS(=O)(=O)c1ccc(CCNC(=O)CCCSc2ccc(Cl)cc2)cc1 2726269 SHZZRCFCWJZPDV-UHFFFAOYSA-N 412.964 3.219 0 40 HGAB O=C(O)C[C@H](CNC(=O)[C@H]1CCCN1C(=O)OCc1ccccc1)c1ccccc1 4029188 YWCMVBHNMHKDLX-WOJBJXKFSA-N 410.470 3.162 0 40 HGAB biogenic COc1ccccc1C(=O)Nc1nc2ccc(S(=O)(=O)N3CCCC3)cc2s1 4333006 QPAHZKRYSIWIQE-UHFFFAOYSA-N 417.512 3.342 0 40 HGAB CC(=O)c1ccccc1NC(=O)CN1C(=O)N[C@@](C)(c2cccc3ccccc23)C1=O 4477513 OWCQSQYEWUQUSZ-DEOSSOPVSA-N 415.449 3.448 0 40 HGAB COc1ccc(-n2ccnc(SCC(=O)NC3CCCCC3)c2=O)cc1Cl 4853020 UHLATWCNOFUIJD-UHFFFAOYSA-N 407.923 3.436 0 40 HGAB COc1ccc(-c2csc(NC(=O)[C@@H](C)N3C(=O)c4ccccc4C3=O)n2)cc1 5881204 DBPHKXDXRCILGQ-GFCCVEGCSA-N 407.451 3.442 0 40 HGAB C[C@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)NCc2ccccn2)c1 6167901 ZZKIUNUKFUPZSV-INIZCTEOSA-N 407.495 3.152 0 40 HGAB Cc1c(C(=O)OCc2nnc(-c3ccccc3)o2)sc2nc3n(c(=O)c12)CCC3 6216892 HQPYTUQTWSWTOT-UHFFFAOYSA-N 408.439 3.120 0 40 HGAB O=C1N/C(=C\c2ccccc2I)C(=O)N1Cc1ccccc1 6228335 NNLQAMVDADPLHC-GDNBJRDFSA-N 404.207 3.384 0 40 HGAB C[C@H](Sc1nnc(-c2ccco2)n1Cc1ccccc1)C(=O)NC[C@H]1CCCO1 6785108 ZNFKQXJYFGCRDI-DOTOQJQBSA-N 412.515 3.362 0 40 HGAB CCOc1cc(/C=C(/C#N)C(=O)NC(N)=O)cc(Br)c1O[C@H](C)CC 7071278 AAZOKXZSNJXUNI-GWHHBTOMSA-N 410.268 3.127 0 40 HGAB COc1ccc(CN(C)C(=O)[C@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)cc1 7871837 YIXUZUBNGXXTAR-AWEZNQCLSA-N 410.923 3.162 0 40 HGAB COc1ccc(CNC(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 7969503 CAISBEKOSIEIAD-UHFFFAOYSA-N 416.543 3.119 0 40 HGAB O=C(NCCSc1ccccc1)c1cccc(S(=O)(=O)N2CCCCC2)c1 8361028 QKLMSALJEXPJAY-UHFFFAOYSA-N 404.557 3.383 0 40 HGAB O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)s1)N1CCCc2ccccc21 8392982 GKIKKZHJSGYZEG-UHFFFAOYSA-N 404.557 3.445 0 40 HGAB Cc1cccc(NC(=O)CN(C[C@@H]2CCCO2)C(=O)c2ccc3c(c2)OCO3)c1C 8429641 MDZSTLLBJVOFKX-SFHVURJKSA-N 410.470 3.292 0 40 HGAB CCn1nnc2cc(C(=O)N(C)Cc3cc(Br)ccc3OC)ccc21 8728155 FEUPUEIBKICNJV-UHFFFAOYSA-N 403.280 3.495 0 40 HGAB CCn1nc(C(=O)O[C@H](C)C(=O)Nc2ccc(F)c(F)c2F)c2ccccc2c1=O 8806715 QIZLEVJOTXHCGW-SNVBAGLBSA-N 419.359 3.018 0 40 HGAB Cc1nn(-c2ccccc2)c(C)c1/C=C1\C(=O)N(CC(=O)O)C(=O)c2ccccc21 8848668 ACNUXWGAASZPTN-NDENLUEZSA-N 401.422 3.097 0 40 HGAB COc1cc(CN(C[C@H]2CCCO2)C(=O)COc2ccccc2)cc(OC)c1OC 8869927 UPSKXJDGEFJEPX-LJQANCHMSA-N 415.486 3.299 0 40 HGAB COc1cc([C@@H]2CC(=O)Nc3nc(C)[nH]c(=O)c32)ccc1OCc1ccccc1C 9043522 OFPYRGDDWSJYRC-KRWDZBQOSA-N 405.454 3.448 0 40 HGAB O=C(COc1ccc(C(=O)c2ccc(F)cc2)cc1)NC[C@@H]1COc2ccccc2O1 9222491 JIGACABANUGTSH-HXUWFJFHSA-N 421.424 3.392 0 40 HGAB CC(=O)c1c(C)[nH]c(C(=O)CN2C(=O)N[C@](C)(c3cc4ccccc4o3)C2=O)c1C 9447873 PWMZSQVMPZQUBO-JOCHJYFZSA-N 407.426 3.230 0 40 HGAB COc1ccc(Cc2nnc3n2N=C(c2ccccc2)[C@@H](CC(=O)O)S3)cc1OC 9578625 BSAJSIBDORGBSP-QGZVFWFLSA-N 424.482 3.088 0 40 HGAB COc1ccc(C(=O)CN2C(=O)N[C@](C)(c3ccc(OC(F)F)cc3)C2=O)cc1F 9871309 PSKXDXVPCQPNCZ-HXUWFJFHSA-N 422.359 3.086 0 40 HGAB O=C(CN1c2cccc3cccc(c23)S1(=O)=O)NCc1ccccc1OC(F)F 10114958 SKOMUCCQXWEXDC-UHFFFAOYSA-N 418.421 3.266 0 40 HGAB O=C(CSc1nc(=O)n(C[C@H]2CCCO2)c2c1CCCC2)Nc1ccccc1F 10255472 BZYUHTJQSJCDIN-CQSZACIVSA-N 417.506 3.171 0 40 HGAB COc1ccc(N(CCCC(=O)NCCc2ccccc2)S(C)(=O)=O)cc1Cl 10337568 KDFBSHJWOCAAGJ-UHFFFAOYSA-N 424.950 3.254 0 40 HGAB COc1ccc(Cl)cc1N(CC(=O)N1c2ccccc2C[C@@H]1C)S(C)(=O)=O 10449781 XYMXDSGWBQYYRW-ZDUSSCGKSA-N 408.907 3.092 0 40 HGAB COc1cc(OC)c(NC(=O)COC(=O)[C@@H](C)Oc2ccc(F)cc2)cc1Cl 10907354 GWYVBNVDXWKXRC-LLVKDONJSA-N 411.813 3.446 0 40 HGAB CCOc1ccccc1C(=O)NCC(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1 11416631 SHIAUZRKWARPEG-UHFFFAOYSA-N 415.877 3.234 0 40 HGAB CCCN1CCCc2cc(CCNC(=O)C(=O)Nc3ccc(F)c(F)c3)ccc21 11613012 WKRTXGOZTXPWEL-UHFFFAOYSA-N 401.457 3.425 0 40 HGAB CCN(CC)C(=O)CN1N=C(c2ccc(OC)cc2)Cn2c(cc3ccccc32)C1=O 12113614 QIXRELIZNAOJHW-UHFFFAOYSA-N 418.497 3.378 0 40 HGAB COc1ccc(OC)c2c1cc(C(=O)N1CCC[C@@H](c3nnc4ccccn34)C1)n2C 12323134 NMXJTPXQDSACLZ-OAHLLOKOSA-N 419.485 3.258 0 40 HGAB CSCC[C@H](NC(=O)CCc1nc2ccccc2c(=O)[nH]1)c1nc2ccccc2[nH]1 12534947 JRXRGIDAXMVORB-SFHVURJKSA-N 421.526 3.343 0 40 HGAB CCOc1ccc(S(=O)(=O)N2CCN(c3nc4ccccc4s3)CC2)cc1 12774838 AJCJNFOYQUUMPK-UHFFFAOYSA-N 403.529 3.206 0 40 HGAB COc1ccc(N2C[C@@H](C(=O)Nc3ccc(Br)cc3)CC2=O)c(OC)c1 12797373 JMXLEWBBLLJNGN-LBPRGKRZSA-N 419.275 3.458 0 40 HGAB CCCOc1ccc(C(=O)Nc2ccc(OCC)c(S(=O)(=O)N(C)C)c2)cc1 12847146 YJNQYRHXQWYLIH-UHFFFAOYSA-N 406.504 3.377 0 40 HGAB C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1)c1ccco1 12854707 PDGXSDIIWZAUKN-INIZCTEOSA-N 416.543 3.437 0 40 HGAB COc1ccc(C(=O)COC(=O)CCn2nnc3ccccc32)cc1Br 13382170 WKXBFXCATKLBIP-UHFFFAOYSA-N 418.247 3.019 0 40 HGAB CC[C@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1 13681509 ZZWBSFYVGCVFBM-GXTWGEPZSA-N 407.363 3.450 0 40 HGAB COc1ccc(OC)c(S(=O)(=O)Nc2cnn(Cc3ccccc3Cl)c2)c1 14228085 TULLLGBYIFKHKI-UHFFFAOYSA-N 407.879 3.403 0 40 HGAB COc1ccc(Cl)cc1NC(=O)c1cccc(N2C(=O)C(C)(C)CS2(=O)=O)c1 15858657 UVXCPRQZLIHBLM-UHFFFAOYSA-N 422.890 3.304 0 40 HGAB Cn1c(=O)n(C)c2cc([C@@H](O)COc3ccc(CNCc4cccs4)cc3)ccc21 16363950 ZDBUJOAFFWJUFJ-QFIPXVFZSA-N 423.538 3.341 0 40 HGAB O=c1[nH]nc(SCc2nc(-c3ccccc3)no2)n2nc(-c3cccs3)cc12 16844048 DOPCJMFXXAPFAN-UHFFFAOYSA-N 408.468 3.488 0 40 HGAB COc1cccc(-c2ccc(=O)n(Cc3nc(-c4ccc(OC)cc4OC)no3)n2)c1 16844817 DZAASRCHOWASLY-UHFFFAOYSA-N 420.425 3.034 0 40 HGAB O=C(c1ccc2c(c1)OCCO2)N1CCN(c2nc3c(F)cc(F)cc3s2)CC1 17170340 VDSXBJCMUSPBLE-UHFFFAOYSA-N 417.437 3.308 0 40 HGAB C[C@H](Sc1nnc(N2CCOCC2)n1-c1ccccc1)C(=O)NC1CCCCC1 17278314 JHNGPXIZOSJSQP-INIZCTEOSA-N 415.563 3.033 0 40 HGAB COc1ccc(C(=O)N2CCN(c3ccccc3OC)CC2)cc1Br 17333491 LIZQZYQXDGCNET-UHFFFAOYSA-N 405.292 3.429 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2ccc(-n3cccc3)cc2)cc1 18206248 QDBWPAZRRSXJRZ-UHFFFAOYSA-N 411.527 3.438 0 40 HGAB O=C1N[C@@]2(CCc3ccccc31)CCN(S(=O)(=O)c1cccc(C(F)(F)F)c1)C2 19375285 LTBGWWIKYLOPFT-IBGZPJMESA-N 424.444 3.215 0 40 HGAB Cc1c(C(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)n(C)c2ccc(Cl)cc12 19659992 OUSVRFXJICOMIJ-UHFFFAOYSA-N 419.934 3.320 0 40 HGAB CN(C)c1ncc(-c2ccc(Cl)cc2)c([C@H]2CCCN(C(=O)C(C)(C)O)C2)n1 19694178 YXFZIUBZKNNCTO-HNNXBMFYSA-N 402.926 3.340 0 40 HGAB COc1cccc(-c2cnc(N(C)C)nc2[C@@H]2CCN(Cc3cnn(C)c3C)C2)c1 19694806 XLIOXHQELHQURR-GOSISDBHSA-N 406.534 3.250 0 40 HGAB CSc1ccc([C@H](C)NC(=O)COc2ccc(S(=O)(=O)NC(C)C)cc2)cc1 20018879 CFLKEHBBUAWEFQ-HNNXBMFYSA-N 422.572 3.351 0 40 HGAB COC(=O)c1ccc(NC(=O)COC(=O)/C=C/c2cc(Cl)c3c(c2)OCO3)cc1 22169372 MGRLQZZXPCWKDP-FARCUNLSSA-N 417.801 3.050 0 40 HGAB COC(=O)c1ccc(C)c(NC(=O)CN(c2c(C)cc(C)cc2C)S(C)(=O)=O)c1 22388852 KFXMRVCLTJTXCM-UHFFFAOYSA-N 418.515 3.112 0 40 HGAB CCOC(=O)c1cccc(NC(=O)CN(c2c(C)cc(C)cc2C)S(C)(=O)=O)c1 22395716 BQJJJOJCZPAVMP-UHFFFAOYSA-N 418.515 3.193 0 40 HGAB COc1ccc(-c2csc(NC(=O)[C@H]3CS[C@]4(C)CCC(=O)N34)n2)cc1OC 23079067 CKWBXOPSALPQDJ-BFUOFWGJSA-N 419.528 3.220 0 40 HGAB COc1cc2nc(CN3CCC[C@H]3c3ccc4c(c3)OCCO4)[nH]c(=O)c2cc1OC 23845232 OWMATPVQCFFKAI-KRWDZBQOSA-N 423.469 3.049 0 40 HGAB C[C@H](C(=O)Nc1ccc(NC(=O)c2cc(-c3ccccc3)on2)cc1)n1cncn1 24584196 VAYPWRYJBIUNEM-CQSZACIVSA-N 402.414 3.385 0 40 HGAB CSc1cccc(N2C[C@H](C(=O)N(C)C[C@H]3COc4ccccc4O3)CC2=O)c1 24654736 CPEPCBHCLOGLOK-WBVHZDCISA-N 412.511 3.060 0 40 HGAB O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1cccnc1Sc1ccc2c(c1)OCCO2 25708788 WVNJHNIEQFUDBK-UHFFFAOYSA-N 420.450 3.426 0 40 HGAB O=c1c(C(F)(F)F)cccn1CCS(=O)(=O)c1ccc(Br)cc1 27064912 QRHDSLCRFIHGRY-UHFFFAOYSA-N 410.211 3.104 0 40 HGAB COC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)[C@]2(C)CC2(Cl)Cl)CC1 30684993 QXVDLINQNGIVJH-PBHICJAKSA-N 419.736 3.282 0 40 HGAB COc1ccc(N2C[C@H](C(=O)N3CCN(c4cccc(C)c4C)CC3)CC2=O)cc1 30808126 DWHPWLBVXRMHOL-LJQANCHMSA-N 407.514 3.014 0 40 HGAB CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(F)c(NC(=O)C2CC2)c1 31141530 PBQDQIOPPYLKQY-OAQYLSRUSA-N 422.460 3.341 0 40 HGAB CN(Cc1ccccc1N1CCOCC1)C(=O)c1ccc2c(O)[nH]c(=S)nc2c1 32912184 PMSBRZIFNAJYEY-UHFFFAOYSA-N 410.499 3.107 0 40 HGAB C[C@H]1Cc2ccccc2N1C(=O)CSc1nnc(-c2ccc3c(c2)OCO3)n1C 35313330 RLXQIQBUMWPCKJ-ZDUSSCGKSA-N 408.483 3.281 0 40 HGAB CCOC(=O)C(=O)Nc1cc(-c2nc(-c3ccc(OCC)cc3)cs2)nn1C 35683059 DSJLSNDTEBNXMP-UHFFFAOYSA-N 400.460 3.111 0 40 HGAB CC[C@@H](CCNS(=O)(=O)c1cnn(C(F)F)c1)n1nc(C(F)(F)F)cc1C 36614885 ULTKMQDVGLQRID-JTQLQIEISA-N 415.388 3.122 0 40 HGAB CCc1ccc([C@H](CNC(=O)C[C@H](NC(N)=O)c2ccccc2Cl)N(C)C)cc1 36748063 UJXZBKJSNGALAL-PMACEKPBSA-N 416.953 3.421 0 40 HGAB O=C(CCCC(=O)N1CCN(c2nsc3ccccc23)CC1)Nc1ccncc1 40267561 LKIUKTVQCWQPEZ-UHFFFAOYSA-N 409.515 3.149 0 40 HGAB O=C(Nc1cccc(C(F)(F)F)c1)[C@H](N[C@H]1CCS(=O)(=O)C1)c1ccccc1 57432016 OAVFWBLMOHEPMC-DLBZAZTESA-N 412.433 3.162 0 40 HGAB CN(C)S(=O)(=O)c1ccc(C(=O)OCc2ccc(Oc3cccnc3)cc2)cc1 65563331 BZOUAKXZHXXDEZ-UHFFFAOYSA-N 412.467 3.481 0 40 HGAB O=C(c1ccc(N2CCCS2(=O)=O)cc1)N1CC[C@@H](CSc2ccccc2)C1 72303137 AGEGILRKQANECU-QGZVFWFLSA-N 416.568 3.481 0 40 HGAB CCN1CCC2(CC1)CN(C(=O)[C@H](N)Cc1ccccc1)Cc1cc(C)ccc1O2 72394729 OGDXNIRRJPAGPZ-JOCHJYFZSA-N 407.558 3.141 0 40 HGAB CCCc1cc(-c2nc(C)c(C(=O)N3CCN(C(=O)OCC)CC3)s2)ccn1 72400851 YAUAHBQFPDBCNL-UHFFFAOYSA-N 402.520 3.380 0 40 HGAB CC(C)[C@H](NC(=O)[C@H]1CC(=O)N(c2n[nH]c3ccccc23)C1)c1nc2ccccc2[nH]1 96223826 JFENOESUYQVGFU-XOBRGWDASA-N 416.485 3.306 0 40 HGAB NC(=O)NC(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccccc1)CC2 96482217 KDCRTCUYDUBPAW-QINSGFPZSA-N 401.422 3.073 0 40 HGAB COC(=O)[C@@]1(CC(=O)N(C(C)C)C(C)C)C(=O)C[C@H]2CC[C@H]1N2Cc1ccccc1 100186587 AUYQRVIJWUYVEW-YOSAUDMPSA-N 414.546 3.187 0 40 HGAB CCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)sc2ccccc21 100821216 YTRNCDDEGJDYKB-MRCUWXFGSA-N 415.540 3.248 0 40 HGAB COCCn1c(=O)[nH]c2ccccc2/c1=N\C(=O)Nc1ccc(Cl)c(Cl)c1 101113663 IEDUKEHWKHYBOU-XQNSMLJCSA-N 407.257 3.416 0 40 HGAB CCOC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(F)cc1 113893402 XXQMQELRRFFPTH-UHFFFAOYSA-N 401.843 3.246 0 40 HGAB C[C@@H]1CC[C@@H]2S[Sn]3(N[C@@H]2C1)N[C@@H]1C[C@H](C)CC[C@H]1S3 196000958 RLMYADDFGLGUPO-KAGKAMLNSA-L 405.221 3.209 0 40 HGAB Cn1nc(-c2ccc(F)cc2)cc1C(=O)NCCn1ccn2nc(-c3ccco3)cc12 206750792 WNZRTPYRSNPSJI-UHFFFAOYSA-N 418.432 3.365 0 40 HGAB CC1CCN(S(=O)(=O)c2cccc(C(=O)Nc3ccc4c(c3)OCCO4)c2)CC1 219997723 USECNEDJVSPFTR-UHFFFAOYSA-N 416.499 3.131 0 40 HGAB COC(=O)CSc1nnc(NC(=O)[C@H](C)Oc2cccc3ccccc23)s1 225244272 ZTOYENNWDRARQV-NSHDSACASA-N 403.485 3.362 0 40 HGAB COc1ccc(OC)c([C@H](C)NC(=O)[C@@H](C)N(c2cccc(C)c2)S(C)(=O)=O)c1 225460804 VGUMQMAKYVGTNA-JKSUJKDBSA-N 420.531 3.044 0 40 HGAB CC[C@@H](NS(=O)(=O)c1ccc2c(c1)sc(=O)n2C)c1ccc(OC)c(OC)c1 225682458 LCYLOMIZUCYULS-CQSZACIVSA-N 422.528 3.047 0 40 HGAB CCOc1ccccc1CCCNS(=O)(=O)c1ccc2c(c1)sc(=O)n2CC 225692232 LKRKZXQOEMIIAG-UHFFFAOYSA-N 420.556 3.393 0 40 HGAB COc1cc([C@H](C)NC(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)ccc1OCC(C)C 245225125 NGZPIZPCNJLJRB-CGTJXYLNSA-N 416.518 3.082 0 40 HGAB COCC(=O)N1CC[C@@H]2[C@H](C1)[C@@H](c1ccc(OC)cc1)CN2Cc1cccs1 257218061 DBRWYWGTYOKADK-NJDAHSKKSA-N 400.544 3.220 0 40 HGAB CO[C@@H]1CN(CC(=O)Nc2cccc(-c3csc(C)n3)c2)CC[C@]12CCCO2 257222676 DUGWAVPNCVMBHJ-TZIWHRDSSA-N 401.532 3.327 0 40 HGAB C[C@@]1(C2CCN(Cc3ccccc3C(=O)O)CC2)CN(Cc2ccccc2)C(=O)CO1 257277073 NWICOYCMVVVBCW-VWLOTQADSA-N 422.525 3.415 0 40 HGAB Cn1nccc1[C@@H]1CN(Cc2cccs2)C[C@]12CCCN(Cc1ccncc1)C2=O 306135710 OYGPKVQKCOQVFF-NZQKXSOJSA-N 421.570 3.285 0 40 HGAB Cc1ccc(CN2C[C@H]3Cc4nnc(C(=O)NCc5ccccc5)n4C[C@H]3C2)cc1C 306143427 YCBPZYXDLLLHSW-FGZHOGPDSA-N 415.541 3.129 0 40 HGAB COc1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3cccc(C)c3)[C@H]2c2ccccc2)cc1 409059435 NFZLFGAHROXXHS-WFZBXURCSA-O 414.485 3.020 0 40 HGAB CCCN(CCC)C(=O)CN1C(=O)S/C(=C\c2cccc(OCC)c2O)C1=O 409213487 WCAXKDPAPHDDNX-VBKFSLOCSA-N 406.504 3.476 0 40 HGAB Cc1cccc(Nc2cc(C[C@H]3CCCN(C(=O)/C=C/c4cnc[nH]4)C3)ncn2)n1 585291272 MQVPZNFKVPCVTG-IWAYRVGRSA-N 403.490 3.141 0 40 HGAB O=C(COC(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1)c1ccc(Br)cc1 832736 YISQLSDDQNCCND-CYBMUJFWSA-N 420.234 3.367 0 40 HGAB CN1C(=O)c2cccc(NCCCCCCN3C(=O)c4ccccc4C3=O)c2C1=O 2278722 OKFGHRCWUGEFRV-UHFFFAOYSA-N 405.454 3.181 0 40 HGAB O=C1CN(C(=O)CSc2nnc(NCc3ccccc3)s2)c2ccccc2N1 3355118 SVWLZQTYRBUADZ-UHFFFAOYSA-N 411.512 3.228 0 40 HGAB Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)c3cc(C)n(-c4ccon4)c3C)C2=O)cc1 3412680 AUUINHBEYUMIRB-JOCHJYFZSA-N 406.442 3.040 0 40 HGAB O=C(COC(=O)CCc1nc2ccccc2c(=O)[nH]1)Nc1cc(Cl)ccc1Cl 3448026 SGGNHANXOCZPAB-UHFFFAOYSA-N 420.252 3.344 0 40 HGAB CCCCSC1=NC2=NC(C)=C(C(N)=O)[C@@H](c3ccc(OCCC)cc3)N2N1 4369491 FYKIJVVJIRLNPA-QGZVFWFLSA-N 401.536 3.355 0 40 HGAB CCS(=O)(=O)c1ccccc1C(=O)Nc1nc2ccc(NC(C)=O)cc2s1 4585732 KAXDZOCXQBMKAN-UHFFFAOYSA-N 403.485 3.301 0 40 HGAB O=C(O)[C@H]1CCCC[C@H]1C(=O)Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1 4657137 TYUQOEUNCZTNER-MSOLQXFVSA-N 408.520 3.127 0 40 HGAB CCOc1cccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)on3)cc2)c1 4970536 VIUCDFXGTLFRFX-UHFFFAOYSA-N 401.444 3.435 0 40 HGAB Cc1cc(C)c(S(=O)(=O)Nc2ccc3c(c2)N(S(C)(=O)=O)CCC3)c(C)c1 5136850 UGURBGAOHFQMNX-UHFFFAOYSA-N 408.545 3.125 0 40 HGAB CCCCC(=O)Nc1ccc2c(c1)nc(CCN1CCN(c3ccccn3)CC1)n2C 5207693 OWZLCIDGFOOPIW-UHFFFAOYSA-N 420.561 3.462 0 40 HGAB COc1cc2ccccc2cc1C(=O)N1CCN(S(=O)(=O)c2cccs2)CC1 5613235 AXXRBCQEHJBYMX-UHFFFAOYSA-N 416.524 3.057 0 40 HGAB O=C(OCCS(=O)(=O)c1ccc(C(F)(F)F)cn1)C(Cl)=C(Cl)Cl 6500216 PIQNHJLZQDXKCY-UHFFFAOYSA-N 412.600 3.303 0 40 HGAB O=C(COc1ccccc1)NC(=S)Nc1ccc(Br)cc1C(=O)O 6616117 GBKHOHNRELCFMK-UHFFFAOYSA-N 409.261 3.039 0 40 HGAB CCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCOC)cc1OC 6892569 ZPEFPXJCKIEDCP-HXUWFJFHSA-N 409.438 3.392 0 40 HGAB O=C(CSCc1ccc(F)cc1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 7146324 GJDHYUWVPUJIPZ-UHFFFAOYSA-N 408.520 3.482 0 40 HGAB COc1ccc(C(C)(C)C)cc1N[C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 7370610 JKOBQXIADVIECN-ZDUSSCGKSA-N 405.520 3.079 0 40 HGAB CCOC(=O)c1csc(N2N=C(c3ccc(F)cc3)C[C@@]2(O)C(F)(F)F)n1 8752035 RVTZZGNPEGKJTH-OAHLLOKOSA-N 403.357 3.324 0 40 HGAB CCOC(=O)c1nn(-c2ccccc2)c(=O)cc1NC(=O)c1ccc(OCC)cc1 8770337 KCMUORCYUZIVPN-UHFFFAOYSA-N 407.426 3.060 0 40 HGAB Cc1cc(O)c2c(C)c(CC(=O)N3CCN(c4ccc(F)cc4)CC3)c(=O)oc2c1 8993611 YMYDQKITWOFRRG-UHFFFAOYSA-N 410.445 3.146 0 40 HGAB O=C(CSc1nc2nccnc2c(=O)n1Cc1ccccc1)Nc1ccccc1F 9405110 LQGYHTZUHKBHFH-UHFFFAOYSA-N 421.457 3.105 0 40 HGAB CCCCc1nc(SCc2c(F)cccc2Cl)c2c(=O)n(C)c(=O)n(C)c2n1 9517438 RZNZPJJRYYVHEI-UHFFFAOYSA-N 422.913 3.455 0 40 HGAB Cc1cccc2c(=O)n(CCCC(=O)Nc3ccccc3C(=O)NC3CC3)cnc12 10447534 CBHJDHYMAUOIFS-UHFFFAOYSA-N 404.470 3.016 0 40 HGAB COc1ccc(C2(C(=O)NCCc3nc(-c4ccncc4)n[nH]3)CCCCC2)cc1 12114885 XNZCQTUTEYFFOB-UHFFFAOYSA-N 405.502 3.436 0 40 HGAB CCC(=O)N1CCc2cc([C@H](O)CN3CCC(O)(c4ccc(F)cc4)CC3)ccc21 12181120 FOCCGZWIPSSKHA-JOCHJYFZSA-N 412.505 3.142 0 40 HGAB CCN1CCC(NC(=O)c2ccc(S(=O)(=O)Nc3ccccc3C)cc2)CC1 12560882 BOYXAAGJAVQCLR-UHFFFAOYSA-N 401.532 3.010 0 40 HGAB COc1cccc(CNC(=O)c2cc(S(=O)(=O)NCc3ccccc3)ccc2C)c1 12774129 ACHDBHGSXYUPFZ-UHFFFAOYSA-N 424.522 3.412 0 40 HGAB Cc1ccccc1NC(=O)Cn1c(=O)n(Cc2ccc(F)cc2)c(=O)c2sccc21 13533361 RGLHIYYDYAKROD-UHFFFAOYSA-N 423.469 3.359 0 40 HGAB CCOc1ccc(S(=O)(=O)Nc2ccc(CC(=O)N3CCCC3)cc2)cc1C 13848785 VAMVJHPPLIDXKL-UHFFFAOYSA-N 402.516 3.359 0 40 HGAB CCC(=O)N(c1nnc(SCC(=O)N2CCc3ccccc3C2)s1)C1CC1 14244946 PZYGNLOIVAYTDT-UHFFFAOYSA-N 402.545 3.121 0 40 HGAB O=C(NCc1cnn(-c2ccccc2)c1)c1cccc(I)c1 14407481 NJPHNTSKFUGVAT-UHFFFAOYSA-N 403.223 3.407 0 40 HGAB CCOC(=O)c1[nH]c(C)c(C(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1C 15536224 OWECRIAKUDFFQE-UHFFFAOYSA-N 424.423 3.184 0 40 HGAB Cc1ccccc1-n1c(SCCOC(=O)c2ccccc2)nnc1N1CCOCC1 17840209 UBUVCECYHGVQDH-UHFFFAOYSA-N 424.526 3.361 0 40 HGAB NC(=O)[C@@]1(Cc2ccccc2-c2cncnc2)CCCN(C(=O)c2cccc(F)c2)C1 19348318 MJELLKVMQGABFN-XMMPIXPASA-N 418.472 3.233 0 40 HGAB CC(C)N1CCc2c(nc(C3CCN(Cc4ccc(F)c(F)c4)CC3)[nH]c2=O)C1 19448514 IBWBLMQYOHJFGJ-UHFFFAOYSA-N 402.489 3.194 0 40 HGAB COc1ccc([C@@H](c2nnnn2C(C)C)N2CCN(Cc3ccccc3)CC2)cc1 19454660 RPRXQRHAISHSNK-QFIPXVFZSA-N 406.534 3.170 0 40 HGAB CCOCc1cc(CN2C[C@@H]3C[C@@H](O)CN3C[C@H]2Cc2ccccc2)ccc1OC 19531196 JXYITIWSSJXLES-TZRRMPRUSA-N 410.558 3.094 0 40 HGAB CN(C)C[C@@H]1CN(Cc2ccc(F)c(F)c2)C[C@H]1c1ccnc(N2CCCC2)n1 19583329 PMLMPTWKKQLIQR-QZTJIDSGSA-N 401.505 3.132 0 40 HGAB Cc1ccn(CCC(=O)N2CCC[C@@H](c3nc(C)c4c(n3)N(CC3CC3)CCC4)C2)n1 19706980 UUSYQCIYFYPUAJ-HXUWFJFHSA-N 422.577 3.249 0 40 HGAB COc1ccc(OC)c(-c2n[nH]c(C(=O)N3CC[C@](O)(c4ccc(C)cc4)C3)c2C)c1 19718137 HVNUBZLJNZPVIH-XMMPIXPASA-N 421.497 3.444 0 40 HGAB CC1CCN(CCC2CCN([C@@H]3CC(=O)N(c4ccc(F)cc4)C3=O)CC2)CC1 19890126 MEWMEYFRUOQIOW-OAQYLSRUSA-N 401.526 3.292 0 40 HGAB CCOc1c(Br)cc([C@H]2C3=C(COC3=O)Nc3[nH]nc(C)c32)cc1OC 20086579 SOCDDTRLLADQJU-CQSZACIVSA-N 420.263 3.256 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)[C@H](C)Oc1ccc(C)cc1 22513574 WRABQWDSTIKNOD-INIZCTEOSA-N 418.515 3.194 0 40 HGAB O[C@H](COc1cccc2ccccc12)CN1CCN(Cc2ccc3c(c2)OCO3)CC1 23118762 NTCWWRSQWYCCOP-NRFANRHFSA-N 420.509 3.126 0 40 HGAB O=c1c(Cl)c(NC[C@H](c2cccs2)N2CCOCC2)cnn1-c1ccccc1 25572913 KXYPHYMILHUJNT-QGZVFWFLSA-N 416.934 3.433 0 40 HGAB Cc1ccc(-c2noc([C@@H](C)N3CCN([C@H](C)C(=O)Nc4cc(C)no4)CC3)n2)cc1 26601176 LNRPYPOJAYMYJM-IAGOWNOFSA-N 424.505 3.047 0 40 HGAB COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C(=O)N2CCO[C@H](C)C2)c1 29789647 RGWWIDCVUWJBTC-MRXNPFEDSA-N 407.470 3.417 0 40 HGAB Cc1ccc(N2C(=O)CN([C@H](C)c3ccccc3)[C@H]3CS(=O)(=O)C[C@H]32)cc1Cl 31773736 IJAVEKWBJMDBBP-UIAACRFSSA-N 418.946 3.224 0 40 HGAB Cc1ccc(CN2CC(=O)N(c3ccc(C(C)C)cc3)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 31773822 PHTVXGNNXDIWKG-FCHUYYIVSA-N 412.555 3.133 0 40 HGAB CCOC(=O)CCC(=O)Nc1cc(NC(=O)c2ccc3c(c2)OCO3)ccc1F 32796339 YEHHBMMUCYOZEZ-UHFFFAOYSA-N 402.378 3.089 0 40 HGAB CCc1ccc(CNC(=O)c2snc(C(=O)NCc3cccc(OC)c3)c2N)cc1 33171932 SZLCWUJAPWXSRA-UHFFFAOYSA-N 424.526 3.156 0 40 HGAB NC(=O)c1cc(Cc2ccccc2)sc1NC(=O)[C@H]1[C@@H]2C=C[C@@H](CC2)[C@@H]1C(=O)O 35897709 DIBMWTRICLPVDY-BODMPHMZSA-N 410.495 3.289 0 40 HGAB Cc1ccccc1NC(=O)CN1C(=O)N[C@@](C)(c2cccc(C(F)(F)F)c2)C1=O 40116875 TYUQLDKBDIVXJR-IBGZPJMESA-N 405.376 3.420 0 40 HGAB COc1ccc(-n2c3c(c(=O)[nH]c2=O)CN([C@@H](C)c2ccccc2)CN3)cc1Cl 40284184 MXNCSMWNRYYSFE-ZDUSSCGKSA-N 412.877 3.134 0 40 HGAB C[C@H](NC(=O)c1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1)c1ccc2c(c1)CCC(=O)N2 45981377 FIGLAKYEJXNVDY-OAGGEKHMSA-N 408.502 3.071 0 40 HGAB CC[C@@H](C)NC(=O)c1ccc(CNC(=O)c2cccc(CN3CCCC3=O)c2)cc1 48909281 UTIZQDAAOBWRKR-QGZVFWFLSA-N 407.514 3.267 0 40 HGAB COc1ccc(C(C)=O)cc1COC(=O)CCNC(=O)CCC(=O)c1cccs1 49574811 LZTIZGYPAGEGPW-UHFFFAOYSA-N 417.483 3.172 0 40 HGAB CC(C)NC(=O)N(C)Cc1nc2cc(NC(=O)c3ccc(Cl)nc3)ccc2n1C 61718443 ASDJBDVGVYDWFT-UHFFFAOYSA-N 414.897 3.424 0 40 HGAB COc1cccc(-c2cn(C)c3c(=O)n(CC(=O)Nc4cc(F)ccc4F)cnc23)c1 67235592 LQXMGNBWUYHAOG-UHFFFAOYSA-N 424.407 3.328 0 40 HGAB Cn1nc([C@H]2CCCN(C(=O)Cc3ccccc3Cl)C2)n(-c2ccccc2)c1=O 77100580 RAADUHVFNBMJCF-KRWDZBQOSA-N 410.905 3.173 0 40 HGAB CCN(CCC1CCN(C(=O)CCN2C(=O)[C@H]3CCCC[C@H]3C2=O)CC1)CC(C)C 95459630 NBUQIWBALLSPHG-OYRHEFFESA-N 419.610 3.158 0 40 HGAB Cc1cccc(CN2CCC[C@]3(CCN(S(=O)(=O)c4ccc(F)cc4)C3)C2)n1 96216182 MQBLCJHMPYUPMS-NRFANRHFSA-N 403.523 3.206 0 40 HGAB O=C(COC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1)c1ccc(F)cc1 102081181 HQTZQRBVOIYZHP-LVNJIZSUSA-N 419.408 3.177 0 40 HGAB COc1ccc(/C=C2\SC(=O)N(CC(=O)N3CCCCCC3)C2=O)c(OC)c1 108003410 UDOHNXXPPPMTTO-BOPFTXTBSA-N 404.488 3.143 0 40 HGAB C[C@H](NC(=O)CN(c1ccccc1F)S(C)(=O)=O)c1ccc2c(c1)CCCC2 222919643 DSJSZYAZRYZTLB-HNNXBMFYSA-N 404.507 3.348 0 40 HGAB Cc1cc2c(cc1S(=O)(=O)Nc1ccc(Br)cc1F)oc(=O)n2C 223335823 VEMMQWDSXUHMQK-UHFFFAOYSA-N 415.240 3.142 0 40 HGAB COc1ccc(-c2noc(CNS(=O)(=O)Cc3ccc(Cl)cc3)n2)cc1OC 223629498 ICFODFVFURARSD-UHFFFAOYSA-N 423.878 3.027 0 40 HGAB O=C(O)CC1(CC(=O)N2CC[C@H]3COC(=O)N3c3cc(F)ccc3C2)CCCC1 225485013 DIJYQWDKNOOGTA-INIZCTEOSA-N 404.438 3.308 0 40 HGAB biogenic,in-vitro CC(=O)c1ccc(N2CCN(C(=O)c3ccnc(O[C@@H]4CCSC4)c3)CC2)cc1 225721945 UWXPHABPBRPAQQ-HXUWFJFHSA-N 411.527 3.131 0 40 HGAB O=c1c(=Cc2ccccc2Br)sc2nc(-c3ccc(F)cc3)nn12 254346975 DAZYPZMZEYOEPD-UHFFFAOYSA-N 402.248 3.267 0 40 HGAB Cc1nc2c(C)cccc2cc1C(=O)N1CCC[C@H](CC(=O)NCc2nonc2C)C1 257216705 CVTMMBKQUORVQP-QGZVFWFLSA-N 421.501 3.102 0 40 HGAB Cc1ccc(OC[C@@]2(O)CCCN(CC(=O)NCCc3ccccc3)CC2)c(C)c1 257280981 ONEQMSVNZQOZDZ-RUZDIDTESA-N 410.558 3.258 0 40 HGAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccccc2SC)cc1C 408620438 JRDKXOXLHVNGAV-CQSZACIVSA-N 408.545 3.421 0 40 HGAB O=C(COC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1)Nc1ccc(F)c(Cl)c1 409127062 BXGRPPOHUKBPRF-NSHDSACASA-N 408.788 3.153 0 40 HGAB CN(c1ccccc1C(=O)NCc1ccc2c(c1)OCO2)S(=O)(=O)c1ccccc1 409313108 BKSYSYGQCZYAKU-UHFFFAOYSA-N 424.478 3.170 0 40 HGAB Cn1nc(CC(=O)Nc2cccc(-c3ccc4c(c3)CCO4)n2)c2ccccc2c1=O 519429173 IIYCAWOLJRXTSJ-UHFFFAOYSA-N 412.449 3.112 0 40 HGAB CCN1CCN(c2cccc(NC(=O)[C@@H]3CCCN(Cc4cccnc4)C3)c2)CC1 547463420 VFOVWLGYBSCNRS-OAQYLSRUSA-N 407.562 3.074 0 40 HGAB CC[C@@H]1NC(=O)N(c2cccc(NC(=O)NCc3cc4ccccc4nc3O)c2)C1=O 1678003813 HAYMDZCNEFTBDN-KRWDZBQOSA-N 419.441 3.097 0 40 HGAB CC[C@@H]1CN(C(=O)COc2ccccc2)[C@H](CO)[C@@H]1CN(C)CCc1ccccc1 1772594848 AOBNWXMJUFMRGK-GMKZXUHWSA-N 410.558 3.085 0 40 HGAB COc1ccc(N(CC(=O)N2CCC(C)CC2)S(=O)(=O)c2ccc(F)cc2)cc1 812338 LHSNOQJHORESJZ-UHFFFAOYSA-N 420.506 3.288 0 40 HGAB COc1ccc(NC(=O)CCc2ccc(S(=O)(=O)NCC(C)C)cc2)cc1OC 983472 MIRHVFNRNHMYER-UHFFFAOYSA-N 420.531 3.209 0 40 HGAB CCOC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)c2ccc(F)cc2)cc1 2191099 DYGREZVUCMELJV-UHFFFAOYSA-N 401.390 3.147 0 40 HGAB CC(C)(C)C(=O)COC(=O)/C=C/c1ccc(S(=O)(=O)N2CCCCCC2)cc1 2635676 LCTQXTWVBWWQNJ-JLHYYAGUSA-N 407.532 3.423 0 40 HGAB CCCn1c(=O)c2ccccc2n2c(SCC(=O)Nc3ccccc3F)nnc12 3375787 MLWSHFAXABVXOF-UHFFFAOYSA-N 411.462 3.324 0 40 HGAB C[C@]1(c2ccccc2)NC(=O)N(CC(=O)NC(c2ccccc2)c2ccccc2)C1=O 3460402 FMMXOUYABKENDO-RUZDIDTESA-N 413.477 3.359 0 40 HGAB COC[C@@H](C)n1c(SCC(=O)NCc2cccs2)nc2ccccc2c1=O 3590454 IWKMBHVXNXMOBA-CYBMUJFWSA-N 403.529 3.074 0 40 HGAB CC(=O)Oc1cccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=C3SCCC(=O)N32)c1 3636385 RKFRGJQAIBQFFG-GOSISDBHSA-N 402.472 3.214 0 40 HGAB COc1ccc2c(COC(=O)CCS(=O)(=O)c3ccc(C)cc3)cc(=O)oc2c1 4285390 NHGVHXNNCPCBJG-UHFFFAOYSA-N 416.451 3.017 0 40 HGAB O=C(COC(=O)C[C@@H]1Sc2ccccc2NC1=O)NC12CC3CC(CC(C3)C1)C2 4601845 DWNZLBSSUQUCKL-CTEACUEPSA-N 414.527 3.118 0 40 HGAB O=C(NCCc1ccccc1)[C@@H](C(=O)c1ccc(F)cc1)n1cc(Cl)ccc1=O 4679533 JCMAAJFVVGXMFP-HXUWFJFHSA-N 412.848 3.424 0 40 HGAB COc1ccc(CCNC(=O)c2ccccc2I)cc1OC 4784008 NCZVNYGSDVKDEC-UHFFFAOYSA-N 411.239 3.281 0 40 HGAB CNC(=O)NC(=O)[C@H](Sc1nc(C2CC2)n(-c2ccccc2)n1)c1ccccc1 4935851 AUIMGRZHVRFTJI-QGZVFWFLSA-N 407.499 3.434 0 40 HGAB O=C1CN(C(=O)COC(=O)CCSc2ccc(Cl)cc2)c2ccccc2N1 4979706 SYFBLCQOZWTGFK-UHFFFAOYSA-N 404.875 3.351 0 40 HGAB CCOc1ccc(Cc2nnc(SCC(=O)Nc3ccc(F)cc3)[nH]c2=O)cc1 5154712 ICUQHXPRWDRZTA-UHFFFAOYSA-N 414.462 3.024 0 40 HGAB CCCN1C(=O)N(CCC)C(=O)C2(Cc3c(Cl)cccc3N3CCC[C@@H]32)C1=O 5206528 VOPFKIRGXGKNSL-QGZVFWFLSA-N 403.910 3.462 0 40 HGAB COCCn1c(SCC(=O)OC)nc2scc(-c3ccc(F)cc3)c2c1=O 5571039 FMSOKJVPHIQCSL-UHFFFAOYSA-N 408.476 3.176 0 40 HGAB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OC(=O)c2ccccc2)c(OC)c1 5795903 HFPQQCDXCPOZSA-LJQANCHMSA-N 410.426 3.105 0 40 HGAB Cc1ccc(NC(=O)CSc2nnc(CC(=O)Nc3ccc(C)cc3)n2C)cc1 6476965 PIIXOPWZFDALFS-UHFFFAOYSA-N 409.515 3.344 0 40 HGAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2c(Cl)cccc2Cl)cc1 6763152 RTOGNJAUHMQBAP-JTQLQIEISA-N 403.287 3.308 0 40 HGAB CC(=O)OCC(=O)[C@@]1(O)[C@H](C)C[C@@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 6852425 WAFWZVAYLWXGLG-OXFIPHDASA-N 406.563 3.499 0 40 HGAB CC(=O)NCc1ccc(-c2csc(NC(=O)[C@H]3COc4ccccc4O3)n2)s1 7269601 OOOWPMWZPKMEBC-MRXNPFEDSA-N 415.496 3.286 0 40 HGAB O=C(CN1CCCSc2ccccc21)N1CCN(C(=O)c2cccs2)CC1 7360466 DTXQVHOBWYHEAH-UHFFFAOYSA-N 401.557 3.035 0 40 HGAB Cc1cc(NC(=O)CN2C(=O)N[C@@](c3ccccc3)(c3ccc(C)c(C)c3)C2=O)no1 7575885 SRJZPIBHYKCMFZ-QHCPKHFHSA-N 418.453 3.034 0 40 HGAB COc1ccc(NC(=O)c2ccc(N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)cc2)c(OC)c1 8434134 FJWSXAXNCDFHOS-QZTJIDSGSA-N 406.438 3.412 0 40 HGAB Cc1cc(C(=O)O)ccc1-c1ccc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)o1 8477272 CBLRBDFCKGQJGP-GZTJUZNOSA-N 408.410 3.358 0 40 HGAB COc1ccc(C(=O)NC[C@H]2C[C@@H]3CCN2C[C@@H]3c2cc(-c3ccco3)nn2C)cc1 8635403 LNFZAYRNXSIKEL-NSHGMRRFSA-N 420.513 3.297 0 40 HGAB biogenic,in-vitro COc1cc([C@@H]2CC(=O)Nc3nc(C)[nH]c(=O)c32)ccc1OCCc1ccccc1 9041969 LIYGFXZLJLKJJR-KRWDZBQOSA-N 405.454 3.183 0 40 HGAB COc1c(C)cc(S(=O)(=O)Nc2ccc3c(c2)N(C)C(=O)C(C)(C)CO3)cc1C 9170153 HDCYDQVKNCJHQK-UHFFFAOYSA-N 418.515 3.494 0 40 HGAB CCCCn1nc(C(=O)NC[C@H](c2ccco2)N2CCCC2)c2ccccc2c1=O 9577355 PIBJPGVRRHPHIO-LJQANCHMSA-N 408.502 3.357 0 40 HGAB CC(=O)N1CCN(c2c(Cl)cccc2NC(=O)COc2ccc(C)cc2)CC1 10010501 PGVXZCHFOONTCN-UHFFFAOYSA-N 401.894 3.334 0 40 HGAB CS(=O)(=O)Nc1cccc(C(=O)OCc2ccc(F)cc2Br)c1 10123694 JNFZFLUYWVHXSW-UHFFFAOYSA-N 402.241 3.317 0 40 HGAB CCOC(=O)c1ccc(NC(=O)[C@@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)c(C)c1 10447191 UKCLNXKAIGQEDG-CQSZACIVSA-N 422.478 3.104 0 40 HGAB O=c1ccc(-c2cccs2)nn1CC1(O)CCN(Cc2ccc(F)c(F)c2)CC1 12186611 AIPFZISZESGCQC-UHFFFAOYSA-N 417.481 3.277 0 40 HGAB COc1ccccc1OCC(=O)N[C@H]1CC(C)(C)Cc2nc(N3CCCC3)ncc21 12221034 SAOWCSDKDWKBIM-KRWDZBQOSA-N 410.518 3.294 0 40 HGAB NC(=O)c1ncn2c(C(=O)Nc3ccc(OC(F)F)cc3)cc(-c3ccccc3)nc12 12535721 OAWGDQODVXECDK-UHFFFAOYSA-N 423.379 3.349 0 40 HGAB CCN1CCN(c2ccc(NC(=O)COc3ccc4c(c3)CCC(=O)N4)cc2C)CC1 12544952 VPYORYUUJSYVKM-UHFFFAOYSA-N 422.529 3.039 0 40 HGAB COC(=O)c1cc(OC)c(OC)cc1NCC(=O)N1CCSc2ccccc21 12554719 UTLJOGZHKKMTET-UHFFFAOYSA-N 402.472 3.041 0 40 HGAB CCN(CC)Cc1ccccc1CNC(=O)c1ccc2c(=O)n3c(nc2c1)CCC3 12759599 FEGVJXFXUKABFP-UHFFFAOYSA-N 404.514 3.115 0 40 HGAB Cc1cc(Br)ccc1NC(=O)CNC(=O)NCCc1ccccc1F 12821316 HMHCMCUXTLZSRC-UHFFFAOYSA-N 408.271 3.377 0 40 HGAB CCC[C@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 12898285 SSDRPOPFYOHBOO-ZDUSSCGKSA-N 406.470 3.411 0 40 HGAB COc1cc2c(cc1OC)CN(C(=O)[C@H]1CC(=O)N(c3ccc(C)c(F)c3)C1)CC2 12936666 IZKSZLSJJXUOCL-KRWDZBQOSA-N 412.461 3.089 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCCCc1ccccc1 13647032 QGFNTLKAOLMMAH-UHFFFAOYSA-N 416.543 3.232 0 40 HGAB COc1ccc2cc([C@@]3(C)NC(=O)N(CC(=O)NC4CCCCC4)C3=O)ccc2c1 14117789 OIGOCRGBKXULDU-HSZRJFAPSA-N 409.486 3.064 0 40 HGAB Cc1ccc(C)c(NC(=O)CSc2nnc3nc(O)c(Cc4ccccc4)nn23)c1 15882051 PNIRWEMPRSBTBO-UHFFFAOYSA-N 420.498 3.163 0 40 HGAB O=C1N[C@H](c2c(F)cccc2Cl)[C@H](C(=O)C(F)(F)F)[C@@](O)(c2ccccc2)N1 17610642 GLDVABPFDZZKSU-CPUCHLNUSA-N 416.758 3.426 0 40 HGAB C[C@@H](NC(=O)CN1CCN([C@@H](c2ccccc2)c2nccn2C)CC1)c1ccccc1 19459465 ZORJNFKYLPPABE-YKSBVNFPSA-N 417.557 3.005 0 40 HGAB CC1(C)Cc2cc(CN3CCC4(CC3)NC(=O)N(Cc3ccccc3)C4=O)ccc2O1 19716014 KLJYZGWWRCFDHV-UHFFFAOYSA-N 419.525 3.487 0 40 HGAB CS(=O)(=O)N1CCc2cc(NC(=O)COc3ccc(Cl)cc3Cl)ccc21 19819369 HPUJHIAZJLVFKK-UHFFFAOYSA-N 415.298 3.333 0 40 HGAB Nc1nc(N2CCCC2)nc2c1[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)CC(=O)N2 19819995 LNTCNFKDGIKNDW-JTQLQIEISA-N 421.288 3.030 0 40 HGAB Cc1cc2oc(=O)cc(CN3CCN(Cc4ccc5c(c4)OCO5)CC3)c2cc1C 20502623 RGTYKKFCNWJASV-UHFFFAOYSA-N 406.482 3.456 0 40 HGAB biogenic CCOc1ccc(NC(=O)c2ccccc2NC(=O)CN2C[C@@H](C)O[C@H](C)C2)cc1 22228102 BGFIEPYUIXSPNN-IAGOWNOFSA-N 411.502 3.385 0 40 HGAB CCCOc1ccc(N(CC(=O)Nc2cccc(C(C)=O)c2)S(C)(=O)=O)cc1 22392159 PZFDWCFLWZPDJF-UHFFFAOYSA-N 404.488 3.083 0 40 HGAB CC(C)Cn1c(S[C@H](C)C(=O)Nc2ccc(C(N)=O)cc2)nnc1-c1ccco1 22563196 PVMJDPMEJBUGSY-CYBMUJFWSA-N 413.503 3.412 0 40 HGAB CN1CCN([C@H](CNC(=O)COc2ccc3ccccc3c2)c2ccc(F)cc2)CC1 22794745 XSAWFSPCZMMJQF-XMMPIXPASA-N 421.516 3.463 0 40 HGAB NC(=O)C1CCN([C@@H](c2ccccc2)c2sc3nc(-c4ccco4)nn3c2O)CC1 22851763 QBTNTLMFHBIIPC-INIZCTEOSA-N 423.498 3.043 0 40 HGAB CNC(=O)[C@H]1CN(Cc2nc(-c3cccc(C(F)(F)F)c3)no2)c2ccccc2O1 24954599 HEHHWZJTELNYOX-MRXNPFEDSA-N 418.375 3.269 0 40 HGAB Cc1nc(-c2ccccn2)sc1C(=O)Nc1ccc(F)c(NS(C)(=O)=O)c1 24969963 RFPMOEYAQDQKEU-UHFFFAOYSA-N 406.464 3.276 0 40 HGAB CCc1ccc(/C=c2\sc3nc(/C=C/c4ccc(OC)c(OC)c4)nn3c2=O)cc1 27022075 GVNBITQVUXXGOG-MGFARZDGSA-N 419.506 3.449 0 40 HGAB CC[C@@H](NC(=O)CN(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1)c1ccc(Cl)cc1 31181601 CNDPHVWMWOLXAZ-IEBWSBKVSA-N 424.950 3.190 0 40 HGAB O=C(Cn1cnc2c(oc3ccccc32)c1=O)NC[C@@H](c1ccccc1)N1CCCC1 32217655 KYNBRFQEHHOEKQ-IBGZPJMESA-N 416.481 3.096 0 40 HGAB Cc1nn(COc2ccc(F)cc2F)c(C)c1NC(=O)[C@@H]1CC=CC[C@H]1C(=O)O 32610395 VXORVLAZXAUUGN-HUUCEWRRSA-N 405.401 3.420 0 40 HGAB COc1ccc(OC)c(NC(=O)CS(=O)(=O)Cc2ccc(C(F)(F)F)cc2)c1 32796814 UAULLNYAVZNCJI-UHFFFAOYSA-N 417.405 3.276 0 40 HGAB COc1ccc(NC(=O)CCC(=O)N2CCN(c3nsc4ccccc34)CC2)cc1 36358187 PEXWNJMOYPZORG-UHFFFAOYSA-N 424.526 3.372 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)Cc1ccc(C)c(C)c1 38756121 VXKHAQQSEVFXHY-UHFFFAOYSA-N 402.516 3.278 0 40 HGAB CC(=O)Nc1cccc(-n2c(C)nnc2SCC(=O)N2CCc3ccccc32)c1 40067326 BPMGEPXQXGDING-UHFFFAOYSA-N 407.499 3.216 0 40 HGAB C[C@@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)CNC(=O)Cc2ccccc2)C1 40091120 SKAIEKSPAXTRFM-QZTJIDSGSA-N 407.514 3.102 0 40 HGAB O=C(Nc1cccc(OC[C@@H]2CCCO2)c1)[C@H]1CCCN(C(=O)N2CCCC2)C1 42726687 HOMBRYJCIAWOOI-PXNSSMCTSA-N 401.507 3.111 0 40 HGAB Cc1ccc([C@H](C)NC(=O)[C@H]2CCN(S(C)(=O)=O)c3ccccc3O2)cc1C 44856432 FFFYVAIVTYNRJM-OXJNMPFZSA-N 402.516 3.098 0 40 HGAB Cc1c(C(=O)N[C@@H](Cc2ccccc2)C(N)=O)cnn1-c1cccc(C(F)(F)F)c1 48356116 HQUQSAMSJJMJJJ-SFHVURJKSA-N 416.403 3.026 0 40 HGAB Cc1ccc(F)cc1NC(=O)Cn1c(C)nc2c(c1=O)CN(Cc1ccccc1)CC2 49400858 GGYWFZRRZSGGTO-UHFFFAOYSA-N 420.488 3.196 0 40 HGAB COC(=O)c1sc(N)c(C(=O)OC)c1CSc1nc2cc(F)c(F)cc2[nH]1 58333196 MMXGTANXIYVZQY-UHFFFAOYSA-N 413.427 3.350 0 40 HGAB Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NC2CCCC2)cc1 59444140 OTLPISOOXYTPSV-UHFFFAOYSA-N 400.544 3.287 0 40 HGAB O=C(O)[C@@H]1COC2(CCN(Cc3ccccc3)CC2)N1C(=O)c1cccc(Cl)c1 71980652 WGOCWTXONRKROI-IBGZPJMESA-N 414.889 3.258 0 40 HGAB COCC(=O)N1CCC[C@@H]1c1nc(C)c2c(n1)N(CCc1ccccc1OC)CCC2 72373745 QDDIIMGBSXKIIS-HXUWFJFHSA-N 424.545 3.099 0 40 HGAB Cc1cccc(CS(=O)(=O)N2CCN(CCn3ccnc3-c3ccccc3)CC2)c1 77160855 UBJMBCSVCUQFHJ-UHFFFAOYSA-N 424.570 3.006 0 40 HGAB C[C@@H]1CCCN(C(=O)[C@@H]2CCCN(C(=O)C(C)(C)C)C2)[C@@H]1CNC(=O)OC(C)(C)C 78992220 OGZYJNJMEXEZKT-KZNAEPCWSA-N 423.598 3.423 0 40 HGAB C[C@H](NC(=O)c1cc(=O)[nH]c2c(Br)cccc12)[C@H](O)Cc1ccccc1 89598413 KQHPRAQUXZBYSK-YVEFUNNKSA-N 415.287 3.013 0 40 HGAB Cc1ccccc1NC(=O)N1CC[C@@H]2Oc3ccccc3S(=O)(=O)N(C)[C@H]2CC1 96263862 OAFRTGJIFPFWNJ-ROUUACIJSA-N 415.515 3.073 0 40 HGAB O=C(COc1ccc2c3c(c(=O)oc2c1)CCCC3)NC[C@H]1CC[C@H](C(=O)O)CC1 101063218 LDADPGRJTCKDRY-GASCZTMLSA-N 413.470 3.058 0 40 HGAB CN1C(=O)[C@]2(Nc3ccccc3C(=O)N2Cc2ccc3c(c2)OCO3)c2ccccc21 101639347 ZTCFYWVPFRBWAY-DEOSSOPVSA-N 413.433 3.313 0 40 HGAB Cc1cc(F)ccc1S(=O)(=O)N[C@@H]1CCN(c2ccc(C(F)(F)F)cn2)C1 206790919 NSJMBAGLOBFJFA-CQSZACIVSA-N 403.401 3.105 0 40 HGAB Cc1cc2ncc(CCCNC(=O)CCc3ccccc3Br)cn2n1 206821113 MTFMOXNPGYZFIF-UHFFFAOYSA-N 401.308 3.482 0 40 HGAB COc1ccc(S(=O)(=O)NCCc2ccc(C(C)C)cc2)cc1N1CCCC1=O 216434542 KNQRSNMQQRDHJV-UHFFFAOYSA-N 416.543 3.466 0 40 HGAB Cc1ccccc1OC[C@@H](C)NC(=O)c1ccc(CS(=O)(=O)N2CCCC2)cc1 219966690 UJOBEWWYGGBVCB-GOSISDBHSA-N 416.543 3.118 0 40 HGAB Cc1c(C(=O)N[C@H]2CC(C)(C)Oc3ccccc32)cccc1N(C)S(C)(=O)=O 222440022 ROLMHMODOKJXTF-KRWDZBQOSA-N 402.516 3.423 0 40 HGAB O=C(NCCc1ccccc1)[C@@H]1CN(C(=O)Cc2ccccc2)c2ccccc2O1 222937968 GGWUFGNZQUJIPI-QHCPKHFHSA-N 400.478 3.382 0 40 HGAB COc1ccccc1CNC(=O)c1ccc2c(c1)S(=O)(=O)N=C(C)N2CC(C)C 223121771 WOAXMKHMHFYYFZ-UHFFFAOYSA-N 415.515 3.208 0 40 HGAB Cc1c(C(=O)NCCOc2ccccc2C(C)C)cccc1N(C)S(C)(=O)=O 223825699 ZORVTMVYUAKXCQ-UHFFFAOYSA-N 404.532 3.323 0 40 HGAB COc1ccc(S(=O)(=O)Nc2ccc(C(=O)NC[C@@H]3CCCO3)c(Cl)c2)cc1 224023296 YGTPJKFRCXJJHA-HNNXBMFYSA-N 424.906 3.058 0 40 HGAB COc1ccc(Br)cc1C(=O)Nc1cc(N)ccc1N1CCN(C)CC1 226259579 RJKQWVYMJYHAHC-UHFFFAOYSA-N 419.323 3.044 0 40 HGAB Cc1cc(N2CC3(CCOCC3)OC2=O)nc(C2CCN(C(=O)C(C)(C)C)CC2)n1 257201673 AINBWWBHIJDJSK-UHFFFAOYSA-N 416.522 3.043 0 40 HGAB Cc1nc(CC2CCN(C(=O)[C@H]3CCCCN3)CC2)cc(Nc2ncc(C)s2)n1 257272527 NCTBOAOIXLQXRT-GOSISDBHSA-N 414.579 3.217 0 40 HGAB CO[C@H]1CN(CC(=O)Nc2ccc(OCc3ccccc3)cc2)CC[C@]12CCCO2 257325897 WUXSBSRMGCLFMR-LADGPHEKSA-N 410.514 3.474 0 40 HGAB CC(=O)O[C@H]1C[C@@H]2[C@@H]([C@H](OC(C)=O)C[C@H]3CCCC[C@@]32C)[C@@]2(O)C(=O)CC[C@@]12C 257349435 OCASYMYIISJFFR-VTYKREPGSA-N 406.519 3.186 0 40 HGAB CCOc1ccc(N([C@@H](C)C(=O)N[C@H](C)c2ccc(OC)cc2)S(C)(=O)=O)cc1 260449361 BKXBSSQXFKYLJE-CVEARBPZSA-N 420.531 3.126 0 40 HGAB Cc1cnc(C(=O)N[C@H]2CCCC[C@]23CN(Cc2ccc(C)s2)CCO3)cn1 306140205 UMYKQTRSKAHTMK-FPOVZHCZSA-N 400.548 3.099 0 40 HGAB Cc1nc(CN2C(=O)c3cccn3[C@H]3CN(Cc4ccc5c(c4)OCO5)C[C@@H]32)cs1 306141549 WAAZINDOPZWKQV-OALUTQOASA-N 422.510 3.063 0 40 HGAB COc1ccc(N(CC(=O)Nc2c(Cl)cccc2Cl)S(C)(=O)=O)cc1 408574091 CBWBBXPNUMILAY-UHFFFAOYSA-N 403.287 3.407 0 40 HGAB CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1 408598394 ZTFTYCBGWFFZBA-SNVBAGLBSA-N 403.287 3.308 0 40 HGAB CS(=O)(=O)N(CC(=O)NC1CCCCCCC1)c1ccc(Br)cc1 408615705 CKFCWFJHVCVMQE-UHFFFAOYSA-N 417.369 3.444 0 40 HGAB Cn1c(C[C@H]2CN(C(=O)Cc3ccccc3)CC[C@H]2CC(=O)O)nc2ccccc21 514290158 URAMBNMYDWWNOI-OALUTQOASA-N 405.498 3.298 0 40 HGAB biogenic,in-vitro Cn1c(=O)c2cc(NC(=O)c3cc(-c4ccccc4)ccc3Cl)cnc2n(C)c1=O 520322285 HGCXMOLUJPJMAL-UHFFFAOYSA-N 420.856 3.205 0 40 HGAB CCOC(=O)[C@]12CCCN(C(=O)Cc3cccc(F)c3F)C[C@H]1CN(C(C)C)C2 585108049 JKOOZODNSNGDDR-JTSKRJEESA-N 408.489 3.019 0 40 HGAB O=C(Cc1ccc(F)cn1)N1CCO[C@H](c2ncn3cc(-c4ccncc4)ccc23)C1 585113120 FAVFLCBSIJTLOA-NRFANRHFSA-N 417.444 3.073 0 40 HGAB Cc1ccc2n[nH]cc2c1C(=O)N1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1 1543088696 NIGLZSWFFODIQH-UHFFFAOYSA-N 416.403 3.488 0 40 HGAB O=C(NCc1noc([C@@H]2CCC(=O)N2Cc2ccccc2F)n1)Nc1ccccc1 1775964223 XKJVMKRYUDXARG-KRWDZBQOSA-N 409.421 3.394 0 40 HGAB biogenic,in-vitro CN(C)c1ccc(C(=O)N2CCC[C@H](COc3ncc(Br)cn3)C2)cc1 1775968234 UFSJYVXEKKGVQP-AWEZNQCLSA-N 419.323 3.236 0 40 HGAB Cc1cc(C(=O)N2CCC(c3ccc4cc(-c5cncnc5)cnc4n3)CC2)nn1C 1891387995 UGLZZAQOMQMLJJ-UHFFFAOYSA-N 413.485 3.149 0 40 HGAB O=S(=O)(c1cccc(Cl)c1)N1CCC[C@](O)(COc2ccc(F)cc2)CC1 2037912621 QPDPLDJAXZGBQW-LJQANCHMSA-N 413.898 3.464 0 40 HGAB Cc1c(CNC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@H](c2ccco2)N3)cnn1C 884617 HIAKPHWWWSXXND-IUODEOHRSA-N 408.384 3.108 0 40 HGAB C[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 921122 WGQZTJXEISBSNP-APWZRJJASA-N 414.593 3.108 0 40 HGAB CCCc1cc2nnc(SCC(=O)Nc3cccc(C(F)(F)F)c3)n2c(N)n1 1331382 JONVXNVLASWEHC-UHFFFAOYSA-N 410.425 3.409 0 40 HGAB C[C@H](Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1)C(=O)N1CCC[C@H]1C(=O)O 2139074 CMBDKCKWKSHDKO-LIRRHRJNSA-N 407.422 3.303 0 40 HGAB biogenic O=C1c2oc3ccccc3c(=O)c2[C@H](c2cccc(Br)c2)N1CCO 2398768 CZGYDELFDOSRMR-INIZCTEOSA-N 400.228 3.093 0 40 HGAB CCOC(=O)c1sc(NC(=O)CSC(=S)N2CCCC[C@@H]2C)nc1C 2426403 DVYKUOVQTNGNGW-JTQLQIEISA-N 401.579 3.459 0 40 HGAB O=C(O)[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1cccc(Cl)c1Cl 3279593 FVBHPTWWMGHESB-CQSZACIVSA-N 413.282 3.449 0 40 HGAB O=C(CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O)Nc1ccc(Cl)cc1F 3300477 VHMJARBWTVHASV-KRWDZBQOSA-N 414.824 3.062 0 40 HGAB Cc1ccc(NC(=O)CNC(=O)c2ccccc2I)c(C)c1 3422940 BJKQZQAFKGVIRA-UHFFFAOYSA-N 408.239 3.277 0 40 HGAB CCCCN1C(=O)c2ccc(C(=O)OCc3nnc(-c4ccccc4)o3)cc2C1=O 3549972 QRGCZAKGWABLTH-UHFFFAOYSA-N 405.410 3.490 0 40 HGAB COc1ccc2c(c1OC)C(=O)N1[C@H]2SC[C@H]1C(=O)NCCC1=CCCCC1 4081620 ZSFCFTZOZYWBAZ-BTYIYWSLSA-N 402.516 3.280 0 40 HGAB biogenic C[C@@]1(c2cccc3ccccc23)NC(=O)N(CC(=O)NCCc2ccc(F)cc2)C1=O 4306702 RQGXWCKVPFLGPY-DEOSSOPVSA-N 419.456 3.105 0 40 HGAB C[C@H](CCc1ccccc1)NC(=O)Cn1nnc(-c2ccc(Br)cc2)n1 5255733 AVFFFQISRDSEHT-CQSZACIVSA-N 414.307 3.240 0 40 HGAB CCOC(=O)c1c(C)n(C)c2ccc(OC)c(NC(=O)CN3CCCCCC3)c12 5478060 UGVZIHMOJURBBM-UHFFFAOYSA-N 401.507 3.487 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1ccc2c(c1)OCCO2 5556950 QOMDBJQWYZRJAJ-UHFFFAOYSA-N 416.499 3.193 0 40 HGAB C[C@H]1CCc2sc(C(=O)O[C@H](C)C(=O)NCc3ccc4c(c3)OCO4)cc2C1 5773238 CFMYNDXWRAXPQR-QWHCGFSZSA-N 401.484 3.463 0 40 HGAB CCOC(=O)c1c(C)[nH]c(C(=O)CN(C)CC(=O)Nc2ccccc2Cl)c1C 6507741 DCONBLSYPROAFL-UHFFFAOYSA-N 405.882 3.215 0 40 HGAB Cc1c(NC(=O)[C@H](C)OC(=O)c2ccc3c(c2)CCC3)c(=O)n(-c2ccccc2)n1C 6552086 XAYALXXBXPXXJI-INIZCTEOSA-N 419.481 3.157 0 40 HGAB O=C1S/C(=C\C=C\c2ccccc2)C(=O)N1CC(=O)N1CCCC[C@@H]1CCO 6660792 OWEIZKGRDJADEG-HIMHPUCUSA-N 400.500 3.043 0 40 HGAB CCSc1nnc(NC(=O)c2cc3c(=O)n4cccc(C)c4nc3s2)s1 6791048 PAIOJJWGUDUWLE-UHFFFAOYSA-N 403.514 3.433 0 40 HGAB CC(C)[C@@H](C)NC(=O)CSc1nc2cc(Cl)ccc2c(=O)n1C[C@H]1CCCO1 6882122 ZKBDWDZVIZCVEG-UKRRQHHQSA-N 423.966 3.482 0 40 HGAB Cc1ccccc1OCCOC(=O)[C@@]12CCC(=O)N1c1ccccc1C(=O)N2C1CC1 7072569 JATBROALDZCJOE-XMMPIXPASA-N 420.465 3.059 0 40 HGAB CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)NCc1ccc(N2CCCC2=O)cc1 7490692 ZDRQFBHCXGHXHJ-NRFANRHFSA-N 411.477 3.023 0 40 HGAB Cc1ccc(NC(=O)C2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)cc1Cl 8287998 MKHUFNKEWVJNAN-UHFFFAOYSA-N 417.918 3.448 0 40 HGAB O=C(Nc1ccccc1)[C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(COc2ccccc2)nn1 8298311 PNVBBIITXLYMQC-AAIMPIBUSA-N 417.513 3.206 0 40 HGAB biogenic,in-vitro Cc1ccc(NC(=O)c2ccc(=O)n(CC(=O)Nc3c(C)cc(C)cc3C)n2)cc1 8602060 HURPKJQLUWGZHJ-UHFFFAOYSA-N 404.470 3.368 0 40 HGAB COc1cccc(C[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2nnn[nH]2)c1OC 8952527 ILHBMHYHVSHZRJ-AWEZNQCLSA-N 421.379 3.201 0 40 HGAB Cc1cccc(Oc2ccc(Cl)cc2NCC(=O)N[C@H]2CCS(=O)(=O)C2)c1 9052210 SWIUUQOBOIYLSX-HNNXBMFYSA-N 408.907 3.156 0 40 HGAB CCOc1cc(C(=O)NC[C@@H]2COc3ccccc3O2)cc(Br)c1OC 9128025 QMCXPHYMQQAAOL-CYBMUJFWSA-N 422.275 3.426 0 40 HGAB CCCCN1C(=O)CCc2cc(NC(=O)CN3C(=O)c4ccccc4C3=O)ccc21 9137351 RWMUISVFVKEMGH-UHFFFAOYSA-N 405.454 3.001 0 40 HGAB O=C(CSc1ncnc2c1nnn2Cc1ccccc1F)N1CCc2ccccc21 11758510 JLUHBQWCYZMHOX-UHFFFAOYSA-N 420.473 3.090 0 40 HGAB C[C@@H](Sc1nnc(N2CCCC2)n1C1CC1)C(=O)NCCc1ccc(F)cc1 11780543 SSROJTLNQSHHRV-CQSZACIVSA-N 403.527 3.192 0 40 HGAB CCOC(=O)c1c(NC(=O)c2nn(-c3ccccc3)ccc2=O)sc2c1CCC2 12062863 CYQNFRQDUHCDCL-UHFFFAOYSA-N 409.467 3.212 0 40 HGAB COc1ccc(-n2ncc3c2CCC[C@H]3NC(=O)CNC(=O)c2cc(C)oc2C)cc1 12145710 MYJIOHWBSWSMBI-HXUWFJFHSA-N 422.485 3.014 0 40 HGAB COc1ccc(CCNC(=O)CS[C@@H]2CCc3ccccc3NC2=O)cc1OC 12409704 MRMBQILBGLFCLX-HXUWFJFHSA-N 414.527 3.049 0 40 HGAB CC(=O)NC12C[C@H]3C[C@@H](C1)CC(C(=O)NC[C@H](c1ccco1)N1CCCCC1)(C3)C2 12569505 QAIBBEWIPLJJGD-MMOCYWLFSA-N 413.562 3.398 0 40 HGAB Cc1[nH]c2ccccc2c1[C@@H]1c2ccccc2C(=O)N1CCC(=O)NCCN(C)C 13945783 OKWUGBOYCWINFD-QHCPKHFHSA-N 404.514 3.089 0 40 HGAB O=C(c1cc2cc(F)ccc2s1)N1CCN(S(=O)(=O)c2ccccc2)CC1 14239724 WJWHSSYDUKCEFW-UHFFFAOYSA-N 404.488 3.187 0 40 HGAB COc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)N1CCC(C)CC1 14400359 UUJFWNDOOLHMFV-UHFFFAOYSA-N 402.516 3.046 0 40 HGAB CCOc1cc(C(=O)OCc2cc(=O)n3oc(C)cc3n2)cc(OCC)c1OCC 15734227 QQNCMYMANVMDNJ-UHFFFAOYSA-N 416.430 3.149 0 40 HGAB CC[C@@H](OC(=O)c1cnc(SC)n1-c1ccccc1)C(=O)Nc1cc(C)on1 16121197 VBNICCRRUCXPNP-OAHLLOKOSA-N 400.460 3.465 0 40 HGAB CCOc1ccccc1NC(=O)COc1ccc(S(=O)(=O)N2CCCCC2)cc1 16693521 ZJSOJQQCUOIGGW-UHFFFAOYSA-N 418.515 3.277 0 40 HGAB Cc1ccc(C)c(S(=O)(=O)NCCn2nc(-c3ccc(Cl)cc3)ccc2=O)c1 17026535 YDPJDDVSQJLOKT-UHFFFAOYSA-N 417.918 3.159 0 40 HGAB Cn1nnnc1SCC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 17528964 LATBVEFPUAWEFY-INIZCTEOSA-N 423.951 3.066 0 40 HGAB CC(C)(C)C(=O)N1CCC[C@H](c2nc3c(c(=O)[nH]2)CN(Cc2cccs2)CC3)C1 19081284 SADJVYKGDFLATH-HNNXBMFYSA-N 414.575 3.142 0 40 HGAB O=c1ccc2cc(S(=O)(=O)N3CCC(Oc4ccc(F)cc4)CC3)ccc2o1 19335687 PIYJRHMDUNEGFX-UHFFFAOYSA-N 403.431 3.164 0 40 HGAB COc1ccc(CN2CCC[C@@H](c3nc(-c4ccncc4)cc(=O)[nH]3)C2)cc1OC 19561016 ZEKDDUQXEGDEQV-GOSISDBHSA-N 406.486 3.229 0 40 HGAB COc1ccc(NC(=O)c2cc(C3CCN(C(=O)c4ccccc4F)CC3)no2)cn1 19561923 NLAKQQDWZBNXJM-UHFFFAOYSA-N 424.432 3.489 0 40 HGAB O=C(CSc1nccc2ccccc12)N1CCN(Cc2ccc3c(c2)OCO3)CC1 19681454 SEHFULYKAFGFEV-UHFFFAOYSA-N 421.522 3.400 0 40 HGAB CNc1nc([C@@H]2CCCCN2C(=O)Cc2c[nH]c3ccccc23)nc2c1CCN(C)C2 19708482 KIZZVMATNHTYRR-NRFANRHFSA-N 418.545 3.284 0 40 HGAB CCOc1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccc(F)cc2)C1 19862449 UPYHSFPULAJFNA-KRWDZBQOSA-N 420.506 3.405 0 40 HGAB C[C@@H]1CCN(C(=O)COC(=O)c2ccc([S@](C)=O)cc2)c2ccccc2S1 21647200 VLQZMLPUMNPVLF-LOKFHWFJSA-N 403.525 3.498 0 40 HGAB O=C(CSc1nnc(Cc2c[nH]c3ccccc23)o1)NCc1ccc2c(c1)OCO2 21682037 LTBDSKUGMHJACB-UHFFFAOYSA-N 422.466 3.279 0 40 HGAB O=C(CN1CCOCC1)Nc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2)cc1 22384088 SICZVQNZGGOYGB-UHFFFAOYSA-N 407.392 3.228 0 40 HGAB CCOc1ccc([C@H](C)NC(=O)CN(c2ccccc2CC)S(C)(=O)=O)cc1 22523301 QOJHKONHAPNVFV-INIZCTEOSA-N 404.532 3.291 0 40 HGAB O=C1C[C@@H](N2CCN(CCCc3ccccc3)CC2)C(=O)N1c1ccc(Cl)cc1 22972160 DISGQYQXKDBPIV-OAQYLSRUSA-N 411.933 3.222 0 40 HGAB CN(Cc1ccccc1N1CCOCC1)C(=O)c1ccc(OC[C@@H]2CCCO2)cc1 24191319 NOTNTPCVXOFCNU-QFIPXVFZSA-N 410.514 3.353 0 40 HGAB Cc1ccc(NC(=O)CSc2nc(Cc3ccc(Cl)cc3)[nH]c(=O)n2)cc1 27643391 DXFVNDYRZQSPQZ-UHFFFAOYSA-N 400.891 3.448 0 40 HGAB CN1CCN(C(=O)C2CCN(C(=O)Nc3ccccc3)CC2)[C@@H](c2ccccc2)C1 30029430 MCYJHNHZJONTJI-JOCHJYFZSA-N 406.530 3.446 0 40 HGAB COc1cccc(Nc2nc(N3CCN(c4ccccc4)CC3)c3nccnc3n2)c1 32100634 ZUJKDHXVGFOXGD-UHFFFAOYSA-N 413.485 3.499 0 40 HGAB CCOC(=O)c1ccc(Nc2nc(Nc3ccccc3)nc(N3CCOCC3)n2)cc1 32603933 ATLRDURAYPMUAV-UHFFFAOYSA-N 420.473 3.372 0 40 HGAB Cc1cccc(C(=O)N2CCCN(S(=O)(=O)c3cccc4cc(C)cnc34)CC2)c1 32771403 WNLKGZHZIPWQPG-UHFFFAOYSA-N 423.538 3.388 0 40 HGAB CCN(CC(=O)Nc1cccc(C(F)(F)F)c1)Cc1nc2ccccc2c(=O)[nH]1 33376927 VXWRYZLQCUJLGQ-UHFFFAOYSA-N 404.392 3.403 0 40 HGAB C[C@@H]1CCN(C(=O)C2=CC(c3ccc(F)cc3)=NS(=O)(=O)N2C)[C@H]2CCCC[C@@H]21 35312628 KVPSFZYRUKXTRM-BJZITVGISA-N 419.522 3.116 0 40 HGAB CCCCC(=O)Nc1ccc2c(c1)nc(-c1c(OC)c(C(=O)N(C)C)cn1C)n2C 36369879 DUARPXWTWZCJSG-UHFFFAOYSA-N 411.506 3.418 0 40 HGAB biogenic O=C(NCC(F)(F)F)c1ccc(NC(=O)[C@H]2CC(c3cccc(F)c3)=NO2)cc1 36397614 ZFTGMKGRQGHWGL-MRXNPFEDSA-N 409.339 3.250 0 40 HGAB Cc1ccc(S(=O)(=O)N(CCC(=O)N2C[C@H](C)O[C@@H](C)C2)c2ccccc2)cc1 36413036 GSRAMZQBSNFKQI-OALUTQOASA-N 416.543 3.216 0 40 HGAB COC(=O)C[C@@H](NC(=O)CCc1ccc(OC)c(OC)c1)c1ccc(OC)cc1 40009864 DCMIXEHTYMKGFG-GOSISDBHSA-N 401.459 3.066 0 40 HGAB CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(-n2cc[nH]c2=O)cc1 48230188 RHYAATFILOQQEO-IBGZPJMESA-N 422.485 3.240 0 40 HGAB C[C@H]1C[C@@H](C)CN(Cc2ccc(CNC(=O)c3ccc4c(c3)OCC(=O)N4)cc2)C1 48311029 CLNKFAHVJIVXIL-CALCHBBNSA-N 407.514 3.425 0 40 HGAB COc1cc(NS(=O)(=O)c2cc(C)sc2C)c(C(=O)O)cc1OC(F)F 48311893 XEVDYYZZUWCSJL-UHFFFAOYSA-N 407.416 3.474 0 40 HGAB CCOc1ccc(NC(=O)CN2CCc3[nH]c4c(F)ccc(F)c4c(=O)c3C2)cc1 49003226 RWFCGZVXZZBZBT-UHFFFAOYSA-N 413.424 3.202 0 40 HGAB Cc1cc2nn(CC(=O)Nc3cc(Cl)ccc3C)c(=O)n2c(-c2ccccc2)n1 49407067 TZLQAZLPSACMBS-UHFFFAOYSA-N 407.861 3.467 0 40 HGAB O=C(C[C@@H]1NC(=O)c2ccccc2N=C1O)Nc1ccc(Br)cc1F 49547810 DGJOCTZLRBFIQE-AWEZNQCLSA-N 406.211 3.317 0 40 HGAB C[C@H](Sc1ccccc1)C(=O)NCCN1C(=O)S/C(=C/c2cccnc2)C1=O 49951093 ATIZXVFMADBZQY-IQGJIOQQSA-N 413.524 3.415 0 40 HGAB CCN(Cc1ccccc1)C(=O)Cn1c(=O)n(CCC(C)C)c(=O)c2sccc21 57426639 FYJMGNQOHSFLPT-UHFFFAOYSA-N 413.543 3.320 0 40 HGAB CCOc1cc(CN2C[C@@H]3CCCN3C[C@@H]2Cc2ccccc2)ccc1OCCO 57761365 FYQROMKGOXQTPN-GOTSBHOMSA-N 410.558 3.348 0 40 HGAB CC(C)c1noc(CCCNC(=O)NCc2cccc(NC(=O)c3ccco3)c2)n1 58172981 WJAVAVWWMCRQHG-UHFFFAOYSA-N 411.462 3.470 0 40 HGAB C[C@H](Cc1cccc(F)c1)C(=O)NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1 60338749 ZEVMBDCRKZLWDY-MRXNPFEDSA-N 417.912 3.123 0 40 HGAB CN(C(=O)Cn1c(=O)cc(C(=O)N2CCCCC2)c2ccccc21)c1ccc(F)cc1 67318783 MCWCOYCETYZRCY-UHFFFAOYSA-N 421.472 3.430 0 40 HGAB CC[C@H](NC(=O)CN1C(=O)N[C@]2(C[C@H](C)CC(C)(C)C2)C1=O)c1ccc(OC)cc1 69712836 PLGAXPSLGFUTGT-TWWFPWMWSA-N 415.534 3.399 0 40 HGAB CN(C(=O)Cn1cnc2c(oc3ccccc32)c1=O)c1nnc(-c2ccccc2)s1 72307917 INXBKOMNVAAVEW-UHFFFAOYSA-N 417.450 3.324 0 40 HGAB Cc1nn(C)cc1S(=O)(=O)N1CCC[C@H](c2cccc(-c3ccccc3F)n2)C1 72350137 OUNOOUPZOMZCMG-INIZCTEOSA-N 414.506 3.498 0 40 HGAB COc1ccccc1-c1nccnc1[C@@H]1CCCN(CC(=O)Nc2nccs2)C1 72358599 QQEZWULIILIJDV-OAHLLOKOSA-N 409.515 3.427 0 40 HGAB COc1ccccc1CC(=O)N1CCC([C@@H]2C[C@H](C(F)(F)F)n3ncnc3N2)CC1 72395578 SAEOJTJKLBQOPU-DOTOQJQBSA-N 423.439 3.056 0 40 HGAB O=S(=O)(Cc1cc(Cl)c2c(c1)OCCO2)Cc1ccn(-c2ccccc2)n1 84576722 IZRAOQIUBGDPQO-UHFFFAOYSA-N 404.875 3.412 0 40 HGAB CN1CC[C@@H](NC(=O)C2CCN(CC(F)(F)F)CC2)[C@@H]1c1ccc(Cl)cc1 89375121 MLCKUKIHEVTQGA-SJORKVTESA-N 403.876 3.476 0 40 HGAB CC(C)(C)OC(=O)NC[C@H]1CC[C@@H](C(=O)Nc2cnn(-c3ccccc3F)c2)O1 89662570 WFGAURRQVUDMAN-PBHICJAKSA-N 404.442 3.022 0 40 HGAB CC(C)[C@H](C(=O)Nc1ccc(Oc2ccc(F)cc2)nc1)N1CCCS1(=O)=O 89791125 IDGUAUOGZNXVBS-GOSISDBHSA-N 407.467 3.012 0 40 HGAB CN(Cc1ccccc1)C[C@@H](O)CN1CCN(C(=O)c2cccc3ccccc23)CC1 95408259 QMAJSKZMIOQYGY-HSZRJFAPSA-N 417.553 3.091 0 40 HGAB COc1cc(OC)cc(C2=NN(C(=O)CCC(=O)O)[C@@H](c3ccc(F)cc3)C2)c1 95532113 GNTJEZNYIATNEW-LJQANCHMSA-N 400.406 3.385 0 40 HGAB COc1ccc(S(=O)(=O)C2CCN(C(=O)c3ccccc3SC)CC2)cc1 96376156 MGIDJZDGSWXUHZ-UHFFFAOYSA-N 405.541 3.496 0 40 HGAB Cc1nc(NC(=O)[C@H]2CC[C@H](Cn3c(=O)[nH]c4ccccc4c3=O)CC2)sc1C 101642893 YGTFACWUVMDBDI-GASCZTMLSA-N 412.515 3.208 0 40 HGAB Cc1nn(C2CCCC2)cc1/C=c1\sc2n(c1=O)[C@H]1C[C@](C)(N=2)Oc2ccccc21 102449690 AIRUMFCUUBVLNT-YKARGRJVSA-N 420.538 3.080 0 40 HGAB O=C(NCCc1ccncc1)[C@@H]1C[C@]2(CO1)CN(Cc1ccccc1)c1ccccc12 107275482 SBDXPRNKMLQPJC-AZGAKELHSA-N 413.521 3.487 0 40 HGAB COc1c2ccc(C(=O)NC[C@H]3CCCN3c3nc4ccccc4o3)cc2nn1C 206773226 DSVONRMEIOCGMT-OAHLLOKOSA-N 405.458 3.122 0 40 HGAB CCOc1ccc([C@H](C)NC(=O)CN(c2ccccc2OCC)S(C)(=O)=O)cc1 216266802 JACGVFBGYVXSIS-INIZCTEOSA-N 420.531 3.127 0 40 HGAB CC[C@H](C(=O)NCCOc1cc(C)ccc1C)N(c1cccc(C)c1)S(C)(=O)=O 224035259 AXWIXIJDTBZKBE-HXUWFJFHSA-N 418.559 3.352 0 40 HGAB COc1ccc(OC)c(S(=O)(=O)NCc2cccc(CN3CCCCC3)c2)c1 224698378 DTQLDCMEFKCALS-UHFFFAOYSA-N 404.532 3.168 0 40 HGAB Cc1ccc(C(=O)NCCN2C[C@@H](C)C[C@@H](C)C2)c(I)c1 225027956 KMXVAALSWALYKU-OKILXGFUSA-N 400.304 3.307 0 40 HGAB CCOc1ccc(-c2noc(CNC(=S)Nc3ccc4c(c3)OCCO4)n2)cc1 225831582 JVDDUMJYYVFRED-UHFFFAOYSA-N 412.471 3.393 0 40 HGAB COCCCNC(=S)Nc1nc(N2Cc3ccccc3C2)cc(C(F)(F)F)n1 225902427 LRKNCHUIWIKDIZ-UHFFFAOYSA-N 411.453 3.339 0 40 HGAB Cc1nccc(N2CCC[C@@](C)(c3ccc4c(N)c(C(=O)N(C)C)sc4n3)C2)n1 257290695 QDZFNVHKHONLEP-OAQYLSRUSA-N 410.547 3.237 0 40 HGAB Cc1ncc(-c2cncc(C[C@H]3CCCN(C(=O)c4ccc5[nH]cnc5c4)C3)n2)n1C 257312745 UPIYREZAXTYAHY-MRXNPFEDSA-N 415.501 3.157 0 40 HGAB CC(C)c1ncc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)[C@@H]3CCC(=O)N3)CC2)n1 257322998 WIIVIRPPBFDMKO-QRFRQXIXSA-N 421.545 3.331 0 40 HGAB C[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N[C@H]1CCCc2ccccc21 260772711 WAXPBRAGIVZXMD-YWZLYKJASA-N 402.516 3.044 0 40 HGAB COc1ccc(CN2CC[C@]3(C2)CN(C(C)C)S(=O)(=O)c2ccccc2O3)cc1 306140077 UIZNOZDIRVHBIA-QFIPXVFZSA-N 416.543 3.131 0 40 HGAB O=C(COC(=O)c1cccc(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1)Nc1ccc(F)cc1 408655649 HXXZTCSYRYXEOE-KDURUIRLSA-N 422.412 3.077 0 40 HGAB CCOc1ccc(Br)cc1/C=C1/SC(=O)N([C@H](C)C(=O)OC)C1=O 409071919 SUCOLEQNRPLETK-TVNQGELYSA-N 414.277 3.446 0 40 HGAB COc1cccc(/C=C2/SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)c1 409351839 ZNHLDCARVRAXGC-XDHOZWIPSA-N 408.479 3.316 0 40 HGAB COc1cccc([C@@H]2CC(=O)N=C3N=CNN32)c1OCc1c(F)cccc1Cl 409372088 XZJWEPJIJCQLQA-HNNXBMFYSA-N 402.813 3.243 0 40 HGAB CN1C(=O)c2ccc(-c3cnn(C)c3)cc2O[C@H]2CN(C3CCC(F)(F)CC3)C[C@H]21 514289206 FZWDZUWZDCMRSO-QUCCMNQESA-N 416.472 3.182 0 40 HGAB biogenic,in-vitro CN1CCC[C@H](CNC(=O)c2ccc(-n3cnnn3)cc2Cl)[C@@H]1c1cccs1 607538717 KEZGQOMSPVCFEZ-FZKQIMNGSA-N 416.938 3.190 0 40 HGAB Cn1nc(CNC(=O)C2(S(=O)(=O)c3ccccc3)CCCCC2)c2ccccc21 676252360 DCJBRAGXOVLMIE-UHFFFAOYSA-N 411.527 3.366 0 40 HGAB CCCC(=O)N1CCN(c2ccc(NC(=O)c3cc(OC)cc(OC)c3)cc2)CC1 810017 AHZKTJMJQYJFCB-UHFFFAOYSA-N 411.502 3.405 0 40 HGAB COc1cc(/C=C/C(=O)N2CCN(c3ccccc3F)CC2)cc(OC)c1OC 917569 WTHPYDSYORMBQR-CMDGGOBGSA-N 400.450 3.214 0 40 HGAB CNC(=S)N(Cc1ccc(C)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 920253 ORIZNUAQASVOIR-UHFFFAOYSA-N 409.511 3.114 0 40 HGAB COc1cccc(-c2nnc(SCC(=O)N3CCN(c4ccccc4)CC3)o2)c1 2720302 BWDMOMSXZZYKNT-UHFFFAOYSA-N 410.499 3.186 0 40 HGAB Cc1ccc(-c2nnc(SCC(=O)Nc3ccccc3Br)n2N)cc1 3500198 GRJAIMYLWCFEHK-UHFFFAOYSA-N 418.320 3.461 0 40 HGAB COCCCn1c(SCC(=O)N[C@H]2CCCC[C@@H]2C)nc2ccccc2c1=O 4160939 AEZYZLDUWSEESN-RDJZCZTQSA-N 403.548 3.220 0 40 HGAB O=C(CSc1nc(=O)n(Cc2ccncc2)c2c1CCC2)Nc1ccccc1F 4330118 FDFHQKJDUGASAV-UHFFFAOYSA-N 410.474 3.045 0 40 HGAB O=C(CSc1nnc2ccc(-c3ccncc3)nn12)NCc1ccc(Cl)cc1 4377068 TWCHNMIJUQCUOM-UHFFFAOYSA-N 410.890 3.248 0 40 HGAB COc1ccc(OCCSc2nnc([C@H](C)NC(=O)c3ccccc3)n2C)cc1 4735972 UFCTWWUFMFTIDP-HNNXBMFYSA-N 412.515 3.486 0 40 HGAB CCOc1ccc(C(=O)COC(=O)CSc2nnc(-c3ccco3)n2CC)cc1 4788123 PHKQIMCALLVNJX-UHFFFAOYSA-N 415.471 3.475 0 40 HGAB O=C(NCc1ccccc1)[C@H](c1ccccn1)N(C(=O)c1csnn1)C1CCCC1 4858826 XEYVFRZTRTXWOA-FQEVSTJZSA-N 421.526 3.376 0 40 HGAB COC(=O)CCn1c(C)cc(C(=O)Cn2nnc(-c3ccc(C(C)C)cc3)n2)c1C 5255551 SWSVJXNTTXXEBE-UHFFFAOYSA-N 409.490 3.328 0 40 HGAB O=C(Nc1nc2ccccc2s1)C1CCN(S(=O)(=O)c2cccs2)CC1 5268559 OTKGJABLYPWTEN-UHFFFAOYSA-N 407.542 3.397 0 40 HGAB COc1cc([C@@H]2c3cc4c(cc3O[C@H](OC(C)=O)[C@H]2C)OCO4)cc(OC)c1OC 5759204 MNYOZBKWYSFDMB-AUJNIPSBSA-N 416.426 3.491 0 40 HGAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccc(C(C)C)cc2)cc1OC 6633782 NZIDRHHZKZDYMA-CQSZACIVSA-N 406.504 3.133 0 40 HGAB COc1ccc(C)cc1NC(=O)CN1C[C@@H](C(=O)N2CCCCC2)Oc2ccccc21 7251767 QRODHYCFOOOBGP-QFIPXVFZSA-N 423.513 3.222 0 40 HGAB COc1ccc(CC(=O)N(C)CC(=O)Nc2ccccc2Br)cc1F 8022692 PEYRHVWMMKMXHA-UHFFFAOYSA-N 409.255 3.236 0 40 HGAB CCc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3cccc(Cl)c3)CC2=O)cc1 8085909 KNICDNMHVLKFCS-HNNXBMFYSA-N 400.862 3.437 0 40 HGAB O=C(CSc1nnnn1-c1ccccc1)NCC1(N2CCCCC2)CCCCC1 8156415 BXYGFLHSZHNVPV-UHFFFAOYSA-N 414.579 3.059 0 40 HGAB O=C(Nc1ccc(-n2cnnn2)cc1)c1nc(-c2ccccc2)n(-c2ccccc2)n1 8388885 VHSIFSVNAVMTJB-UHFFFAOYSA-N 408.425 3.162 0 40 HGAB Brc1ccc(-c2nn3c(Cn4nnc5ccccc54)nnc3s2)cc1 8691809 BGOOTHFRAGJYCE-UHFFFAOYSA-N 412.276 3.408 0 40 HGAB COc1cccc(NC(=O)NC[C@@H]2CC(=O)N(Cc3ccc(F)cc3)C2)c1OC 9066977 CUQDWJYHPMYERW-HNNXBMFYSA-N 401.438 3.013 0 40 HGAB Cc1c(Cl)ccc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@H]2CCCN21 9360425 OIQLTZDNZIKXLG-PRHHBONVSA-N 421.884 3.080 0 40 HGAB COC(=O)c1ccc(CSc2ncc(CO)n2Cc2ccc3c(c2)OCO3)cc1 9650428 UADAFYZCNWZORG-UHFFFAOYSA-N 412.467 3.231 0 40 HGAB CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)O[C@H](C)c2ccccc2Cl)cc1 9963621 DUFOAKGGIFUCMJ-QWHCGFSZSA-N 424.906 3.270 0 40 HGAB Cc1ccc(CNC(=O)C2CCN(S(=O)(=O)CCCc3ccccc3)CC2)cc1 10008682 LCDUALQFDCAZHL-UHFFFAOYSA-N 414.571 3.286 0 40 HGAB Cn1c(=O)n(CCC(=O)OCc2cc(=O)oc3cc4c(cc23)CCC4)c2ccccc21 11962835 NVPHOYHEOSWTJR-UHFFFAOYSA-N 418.449 3.069 0 40 HGAB COc1cccc([C@H]2CC(=O)Nc3c2cnn3Cc2ccc3c(c2)OCO3)c1OC 12371640 DOANCFZDXUVEAJ-OAHLLOKOSA-N 407.426 3.151 0 40 HGAB O=C(CCn1cnc2c(cnn2-c2ccc(F)cc2)c1=O)NCCC1=CCCCC1 12440220 CQMHASDIRXDMSF-UHFFFAOYSA-N 409.465 3.118 0 40 HGAB Cc1ccc(CNC(=O)NCc2ccccc2S(=O)(=O)N2CCCCC2)cc1 12760184 FUYVYYIYVIZUIU-UHFFFAOYSA-N 401.532 3.169 0 40 HGAB Cc1noc(C)c1COc1ccccc1C(=O)Nc1ccc(N2CCN(C)CC2)nc1 12975019 XELLTJYWPCNVFU-UHFFFAOYSA-N 421.501 3.270 0 40 HGAB O=C(CCNC(=O)c1cccs1)Nc1ccccc1I 12981686 LAQVNYOZIPCABU-UHFFFAOYSA-N 400.241 3.111 0 40 HGAB Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)NCc1ccc(CN2CCOCC2)cc1 13020821 NWBMXEQYPGHNND-UHFFFAOYSA-N 422.504 3.390 0 40 HGAB Cc1nc(-c2ccccc2)nc2sc3c(=O)n(CCN4CCCCC4)nnc3c12 13656527 QSNFTMIAEZHINN-UHFFFAOYSA-N 406.515 3.258 0 40 HGAB Cn1c(CNC(=O)[C@@H]2CCCO2)nc2cc(NC(=O)c3ccc(Cl)cc3)ccc21 13721243 HBXGKQRKFFXSER-SFHVURJKSA-N 412.877 3.274 0 40 HGAB COc1ccc(NC(=O)CN(C)CC(=O)N2CCC(Cc3ccccc3)CC2)cc1 13986012 GGNQKAZRWPBBQT-UHFFFAOYSA-N 409.530 3.047 0 40 HGAB O=C(C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)N1CCC[C@@H]2CCCC[C@@H]21 14014540 LKFZGCUFIVKYIM-JXFKEZNVSA-N 408.539 3.408 0 40 HGAB CC(=O)Nc1cc(NC(C)=O)cc(C(=O)O[C@H](C(=O)N2CCCC2)c2ccccc2)c1 14236591 YMDRYKGCAUVUJO-NRFANRHFSA-N 423.469 3.124 0 40 HGAB CCOC(=O)c1ccc(NC(=O)C[C@H]2Sc3nc(-c4ccccc4)nn3C2=O)cc1 15057259 FOWAEPCCGIBGMM-MRXNPFEDSA-N 422.466 3.265 0 40 HGAB Cc1ccc2c(CC(=O)N3CCO[C@@H](c4nc(-c5ccncc5)no4)C3)coc2c1 19221648 IYHSYXOECVNJLZ-LJQANCHMSA-N 404.426 3.329 0 40 HGAB CC1(C)[C@H]2CC[C@]1(C)C(=O)N(CC(=O)N1CCC(Oc3ccc(F)cc3)CC1)C2=O 19460799 WQDUHFPSXQEOIQ-FDDCHVKYSA-N 416.493 3.007 0 40 HGAB COc1cc(CC(=O)N2CCC[C@H]2c2n[nH]cc2-c2ccncc2)cc(OC)c1OC 19549638 KHDNZDVRMBLTFR-SFHVURJKSA-N 422.485 3.404 0 40 HGAB COc1cccc2ccc(CN3CCC(c4nnc(-c5cnccn5)o4)CC3)nc12 19568429 BWFMDAWVQPELAL-UHFFFAOYSA-N 402.458 3.463 0 40 HGAB COCCN1CCC[C@H]1c1nc(C)c2c(n1)N(Cc1ccccc1OC)C(=O)CC2 19695759 PSLOJNKKWKVPOQ-IBGZPJMESA-N 410.518 3.056 0 40 HGAB Cc1nccn1-c1ccc(CNS(=O)(=O)c2ccc(Br)s2)cc1 20495445 BCVWPILVNYMRHU-UHFFFAOYSA-N 412.334 3.483 0 40 HGAB Cc1cc2oc(C(=O)N3CCN(CCc4ccccn4)CC3)cc(=O)c2cc1Cl 21659721 PDHQBBLBJNKMFC-UHFFFAOYSA-N 411.889 3.150 0 40 HGAB Cc1ccc(C(=O)[C@H]([C@@H](c2cccs2)N2CCOCC2)N2CCOCC2)cc1 21670210 BNKNETILKVSMCR-RTWAWAEBSA-N 400.544 3.014 0 40 HGAB C[C@H]1C[C@H](C)CN(Cc2csc(NC(=O)Cn3c(=O)oc4ccccc43)n2)C1 22293220 LURTXBSWKGVKQL-KBPBESRZSA-N 400.504 3.168 0 40 HGAB CCc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)NCCN2CCOCC2)cc1 23881951 OBJMSTFBQFVHNC-UHFFFAOYSA-N 418.541 3.223 0 40 HGAB CCN(C(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1)c1ccccc1 24830977 HMCDFODJIPEVIO-IAGOWNOFSA-N 402.516 3.151 0 40 HGAB CN(C)c1nc(Oc2ccc(OCc3ccccc3)nn2)nc(N2CCCCCC2)n1 27517195 PADVBPGIONQVAB-UHFFFAOYSA-N 421.505 3.479 0 40 HGAB O=C(CNc1ccc(OC(F)F)c(Cl)c1)NC(=O)NCCc1cccs1 30291325 ZPZZEPRMBPVVHI-UHFFFAOYSA-N 403.838 3.483 0 40 HGAB CC(=O)Nc1cc(C)nn1-c1ccc(NS(=O)(=O)c2cc(F)cc(F)c2)cc1 32833594 PECQXWRBTGEXIN-UHFFFAOYSA-N 406.414 3.218 0 40 HGAB C/C=C/C=C/C=C/C(=O)O[C@@H]1C=C(CO)[C@](O)(C(=O)OC)[C@@]2(C)CCCC(C)(C)[C@@H]12 35464059 QIDMCIFFMHMTBT-GCRLBQKYSA-N 418.530 3.256 0 40 HGAB biogenic,in-vitro COc1ccc(OC)c(NC(=O)[C@@H](C)OC(=O)c2ccc(-c3nc(C)no3)cc2)c1 39551738 WZONWGIZXSFHIB-GFCCVEGCSA-N 411.414 3.246 0 40 HGAB O=C(NCCC(=O)N1CCN(Cc2ccccc2F)CC1)c1ccc(F)cc1Cl 40130532 MEQKFDILWLUJDI-UHFFFAOYSA-N 421.875 3.083 0 40 HGAB COC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc(C)cc1 41157289 YNZIMCUIVOUNKM-NHCUHLMSSA-N 410.514 3.040 0 40 HGAB COc1ccccc1-c1ccc(N2CCC(C(=O)Nc3nnc(C)s3)CC2)nn1 49371975 LOSMTPXOJFZYEP-UHFFFAOYSA-N 410.503 3.167 0 40 HGAB COC(=O)Cn1c2c(sc1=O)[C@H](c1ccc(F)cc1)CC(=O)N2c1ccccc1 49548147 XZPCWUOOUMFVGA-INIZCTEOSA-N 412.442 3.422 0 40 HGAB O=C1C[C@H](c2ccc(Cl)cc2)[C@H](n2cncn2)C(=O)[C@@H]1[C@@H]1NCCc2ccccc21 49581142 NBBYHVVEXVSNGZ-ZDFPQIBNSA-N 420.900 3.302 0 40 HGAB Cc1ccc(NC(=O)CSc2ncnc3nc(N4CCOCC4)sc23)c(C)c1 57506929 SADHLULCXDWSFP-UHFFFAOYSA-N 415.544 3.271 0 40 HGAB Cc1nn(-c2ccc(F)cc2)c2[nH]c(=O)c(CNC[C@H]3COc4ccccc4O3)cc12 57810311 TUPXMHWKJIJXNO-SFHVURJKSA-N 420.444 3.091 0 40 HGAB COC(=O)c1nn(CN(C)CCOc2ccc(Cl)cc2)c(C)c1Br 58004424 BAMFPAWCZGRJHV-UHFFFAOYSA-N 416.703 3.362 0 40 HGAB Cc1cccnc1NC(=O)[C@H]1CCCN(C(=O)C[C@@H]2Sc3ccccc3NC2=O)C1 58402289 KNESSJQGCZLPAN-YJBOKZPZSA-N 424.526 3.070 0 40 HGAB COc1cccc(-n2nnc(C(=O)NCc3ccccc3OC)c2-c2ccncc2)c1 67261746 ARKKQOKNLVKMIO-UHFFFAOYSA-N 415.453 3.277 0 40 HGAB COc1ccc(CSc2nc3ccc(Br)cc3c(=O)n2N)cc1F 71768778 XHQNZIARJQFLPG-UHFFFAOYSA-N 410.268 3.313 0 40 HGAB O=C(C[C@H]1SC2=NCN(c3cccc(Cl)c3)CN2C1=O)Nc1ccccc1 72332991 GVSLYRKBBKHZOU-MRXNPFEDSA-N 400.891 3.404 0 40 HGAB Cc1cc(C)nc(Nc2cc(C)nc([C@H]3CCCN(C(=O)c4cccnc4)C3)n2)n1 72360012 IBFAKZBJZKYVHY-SFHVURJKSA-N 403.490 3.350 0 40 HGAB Cc1cccc(NC(=O)CN2CCC(c3nn(C)c(=O)n3-c3ccccc3)CC2)c1C 77100630 PMILRHSPOZGROI-UHFFFAOYSA-N 419.529 3.006 0 40 HGAB CN(C[C@@H](O)COc1ccccc1C(F)(F)F)c1ncc(Br)cn1 78721801 PYROHQKNADZOMF-LLVKDONJSA-N 406.202 3.134 0 40 HGAB COCCN(CC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1)C(=O)OC(C)(C)C 79024583 VBXPKKYANUBTPK-AZUAARDMSA-N 419.566 3.039 0 40 HGAB Cc1ccc(-c2noc([C@@H](C)N3CCN(C(=O)Cc4ccccn4)CC3)n2)cc1F 95941271 WZDSAYHPLPDJOC-MRXNPFEDSA-N 409.465 3.027 0 40 HGAB Cn1cc(CN2CCC3(CC2)C[C@@H](CC(=O)NC2CCC2)c2ccccc2O3)cn1 96053384 NUBJELZSPVHNPW-LJQANCHMSA-N 408.546 3.380 0 40 HGAB Cc1ccc(NC(=O)c2ccc3ccc(N4CCN(C(=O)NC(C)C)CC4)n3c2)nc1 96156036 AVGOOMSXQCMHQN-UHFFFAOYSA-N 420.517 3.135 0 40 HGAB COc1cc(Br)c([C@@H](c2c(O)n[nH]c2C)c2c(C)n[nH]c2O)cc1OC 96193456 VBIMXTXWJBSZRA-UHFFFAOYSA-N 423.267 3.121 0 40 HGAB Cc1ccccc1NC(=O)COC(=O)c1cccc(N2C(=O)[C@H]3CCCC[C@H]3C2=O)c1 136287317 CFQMPOHUCUMNEN-KDURUIRLSA-N 420.465 3.470 0 40 HGAB COC(=O)[C@@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)CSCc1ccccc1 206796572 GSTUHQVWLAHPDT-AEFFLSMTSA-N 403.475 3.280 0 40 HGAB COc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCC(C)CC3)c2)c(OC)c1 219994136 HDDNKJOKECRTFT-UHFFFAOYSA-N 418.515 3.377 0 40 HGAB Cc1ccccc1CSCCNC(=O)[C@@H](C)N(c1ccccc1F)S(C)(=O)=O 220303018 AJOANFALMSUUFM-MRXNPFEDSA-N 424.563 3.338 0 40 HGAB C[C@H](NS(=O)(=O)Cc1ccc(Br)cc1)c1ccc2c(c1)OCCO2 222695866 ZCAOXKICRRMMQR-LBPRGKRZSA-N 412.305 3.401 0 40 HGAB CCCN1C(C)=NS(=O)(=O)c2cc(C(=O)Nc3ccc4c(c3)OCO4)ccc21 223112976 QYVYZCMSKJJSJI-UHFFFAOYSA-N 401.444 3.005 0 40 HGAB CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(OC)cc1 223151401 GQVNFLMIHHOCBW-IBGZPJMESA-N 404.894 3.281 0 40 HGAB CCOc1ccc(-c2noc(CN(C)S(=O)(=O)c3cc(F)ccc3OC)n2)cc1 223623712 VXUYKUGDGNBGGN-UHFFFAOYSA-N 421.450 3.104 0 40 HGAB CC[C@@H](C(=O)NC(C)(C)Cc1ccccc1)N(c1ccc(OC)cc1)S(C)(=O)=O 224895937 UJWNXSIBUOIDGW-FQEVSTJZSA-N 418.559 3.377 0 40 HGAB Cc1cc(S(=O)(=O)Nc2nnc(-c3ccccc3)s2)ccc1N1CCCC1=O 225587361 AGBUCPGWWSMVDD-UHFFFAOYSA-N 414.512 3.441 0 40 HGAB O=C1[C@@H]2CCCC[C@H]2C(=O)N1CCC(=O)N1CCCC[C@@H]1c1nc2ccccc2[nH]1 247793811 PUOHVUQNAOYZDQ-GPMSIDNRSA-N 408.502 3.182 0 40 HGAB CCOc1ccc(CN2CCO[C@H](c3cccc(Nc4cnccn4)n3)C2)cc1CO 257262360 LLCGFFKTTFNKPY-NRFANRHFSA-N 421.501 3.080 0 40 HGAB COc1ccc(CN2C[C@@H]3[C@H](C2)[C@@H](Oc2ccc(C)cc2)CCS3(=O)=O)cc1 306123819 AXWJJMJYGUARFQ-BHIFYINESA-N 401.528 3.070 0 40 HGAB COc1ncccc1CN1C[C@@H](c2cn(C(C)C)cn2)[C@@]2(CCN(CC3CC3)C2=O)C1 306136335 PQIVDAGKHXRGNV-GBXCKJPGSA-N 423.561 3.096 0 40 HGAB CC(C)n1cc(CN2CCN(C)[C@@H](c3cn4c(N5CCCC5)cccc4n3)C2)cn1 306144429 ZEULUJFMQHGLBL-OAQYLSRUSA-N 407.566 3.201 0 40 HGAB COc1ccc(NC(SCc2ccccc2)=C2C(=O)N(C)C(=O)N(C)C2=O)cc1 409375205 HCZPQXYZMJSHAZ-UHFFFAOYSA-N 411.483 3.303 0 40 HGAB O=C(NC[C@H](c1ccco1)c1cccs1)C(=O)Nc1cccc(N2CCCC2=O)c1 585146683 BPHSOUMXMSRJTA-QGZVFWFLSA-N 423.494 3.355 0 40 HGAB CC(=O)N[C@@]12CCN(CCc3ccc(F)cc3)C[C@@H]1[C@@H](c1ccccc1)N(C(C)=O)C2 585261346 HKKSFFSBJFRCHI-UBFVSLLYSA-N 423.532 3.168 0 40 HGAB Nc1cccc(C(=O)N2CCC3(CCCCc4ccccc4OCCOC3=O)CC2)n1 643573930 RQSDQNLZIABNIQ-UHFFFAOYSA-N 423.513 3.235 0 40 HGAB COc1ccc2c(=O)n(CC3CCN(C(=O)c4cccc(N(C)C)c4)CC3)cnc2c1 1848819038 SIAZGJFICWZFTH-UHFFFAOYSA-N 420.513 3.024 0 40 HGAB COc1ccc(N2C(=O)c3ccc(C(=O)Oc4ccc(C(=O)O)cc4)cc3C2=O)cc1 825452 ICUWFRGDJFUCDD-UHFFFAOYSA-N 417.373 3.413 0 40 HGAB CCCOc1ccc(C2C(C(=O)OCC)=CN(C)C=C2C(=O)OCC)cc1OC 2796904 FRRCBBPJLKXIPW-UHFFFAOYSA-N 403.475 3.407 0 40 HGAB O=C(CSc1nc2ccccc2c2nc(-c3ccccc3)nn12)NC[C@H]1CCCO1 2969030 PGWNKTUUBAFZPK-MRXNPFEDSA-N 419.510 3.332 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1cccc2c1CCCC2 3230744 FZQCBCKOERQKRK-UHFFFAOYSA-N 414.527 3.147 0 40 HGAB COc1cc(C(=O)OCC(=O)N2CCCC[C@@H]2C)ccc1OCc1c(C)noc1C 3288488 VUAANLYMWFKCNL-AWEZNQCLSA-N 416.474 3.437 0 40 HGAB C[C@@H](NC(=O)COC(=O)CNC(=O)c1ccc(Cl)cc1Cl)c1ccccc1 3301952 GYGIABWVNFPMHY-GFCCVEGCSA-N 409.269 3.144 0 40 HGAB C[C@H](CCc1ccccc1)NC(=O)[C@@H](C)Sc1nnc(-c2cccs2)n1N 4537042 BPMKYVXPMGAZBW-ZIAGYGMSSA-N 401.561 3.339 0 40 HGAB COc1cc(OC)c([C@@H]2CC(=O)N(c3ccc(C)cc3)C3=C2C(=O)OC3)cc1OC 4944731 NORQZFRBQJMRNP-INIZCTEOSA-N 409.438 3.352 0 40 HGAB COc1cccc([C@H]2CCN(CC(=O)Nc3cc(Cl)ccc3OC)C[C@@H]2O)c1 4984639 DPVJLVOAQRPECM-MJGOQNOKSA-N 404.894 3.146 0 40 HGAB C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)NCc3cccc(Cl)c3)cc2)C[C@@H](C)O1 6377525 YMTXINHYMWJEDV-HUUCEWRRSA-N 422.934 3.068 0 40 HGAB O=C(CNC(=O)c1ccc(-c2ccccc2)cc1)OCc1nc2ccccc2c(=O)[nH]1 6508543 SMSQIAGOZMSRGO-UHFFFAOYSA-N 413.433 3.063 0 40 HGAB COC(=O)C1=C(C)N(CCCC(=O)O)C(=O)N[C@H]1c1ccc(Cl)c(Cl)c1 7551174 AHBLCHWTDXUFSZ-HNNXBMFYSA-N 401.246 3.372 0 40 HGAB Cn1c(CNC(=O)c2ccc3c(c2)OCO3)nnc1SCc1ccccc1Cl 7871091 XQSLDECRVXMZPJ-UHFFFAOYSA-N 416.890 3.420 0 40 HGAB CC(=O)N1C[C@@H](C(=O)Nc2ccccc2C(=O)N2CCCCC2)Oc2ccccc21 7990231 WPJAYWPLDSTZEM-NRFANRHFSA-N 407.470 3.065 0 40 HGAB Cc1cc(C(=O)CSc2nnc(CN3CCCC3)o2)c(C)n1C[C@@H]1CCCO1 8394615 JAERSSSWCWSHHE-INIZCTEOSA-N 404.536 3.238 0 40 HGAB COc1ccc(CN(C2CC2)S(=O)(=O)c2ccc3c(c2)CCCN3C(C)=O)cc1 8771163 LEYXOGQIKGBYFV-UHFFFAOYSA-N 414.527 3.348 0 40 HGAB Cn1c(=O)c2c(SCc3ccc(C(F)(F)F)cc3)nc(C3CC3)nc2n(C)c1=O 9277919 OPCRMUJMYNRKJE-UHFFFAOYSA-N 422.432 3.216 0 40 HGAB CCS(=O)(=O)c1ccc(CC(=O)Nc2nnc(-c3ccc(Cl)cc3)o2)cc1 9616939 OUCXJGWZFLHTJV-UHFFFAOYSA-N 405.863 3.365 0 40 HGAB C[C@@]1(c2cc3ccccc3o2)NC(=O)N(CC(=O)c2ccc3c(c2)OCCCO3)C1=O 9666555 HMTBHSAPUAZRCD-QHCPKHFHSA-N 420.421 3.244 0 40 HGAB O=C(Nc1cccc2ncccc12)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 9721484 ZHEXSLDOKUULHY-CQSZACIVSA-N 401.513 3.336 0 40 HGAB CC[C@H](C)NC(=O)CN1C(=O)N(c2ccc(C)c(C)c2)S(=O)(=O)c2ccccc21 10273009 ALXDMFWHHZRMCI-INIZCTEOSA-N 415.515 3.353 0 40 HGAB CCOc1ccc(C(=O)N2CCC(NS(=O)(=O)c3ccc(C)c(C)c3)CC2)cc1 10751615 WFIAGBHMBUACGK-UHFFFAOYSA-N 416.543 3.285 0 40 HGAB Cc1nc(-c2ccccc2)sc1C(=O)NCCn1nc(-c2ccncc2)ccc1=O 11744676 YMRSBYKSBOERJO-UHFFFAOYSA-N 417.494 3.167 0 40 HGAB Cc1cccc(O[C@H](C)C(=O)N(Cc2nc3ccccc3c(=O)[nH]2)C[C@@H]2CCCO2)c1 12765477 FSZVJKORMXTIRN-MJGOQNOKSA-N 421.497 3.207 0 40 HGAB CCCNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccccc1C(F)(F)F 12857032 JVCOUBLOWLCMQA-UHFFFAOYSA-N 414.449 3.423 0 40 HGAB O=C(Cc1cc(Cl)c2c(c1)OCCO2)OCc1cc(=O)oc2cc(O)ccc12 12961888 JGAICJCUHGCCPC-UHFFFAOYSA-N 402.786 3.209 0 40 HGAB O=C(Cc1cnn(-c2ccccc2)c1)Nn1cnc2scc(-c3ccco3)c2c1=O 12983381 PXCHLZZOLCCLGX-UHFFFAOYSA-N 417.450 3.217 0 40 HGAB CCCc1cc(C(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)sc1C 13008346 BSZDGOITCVRRLB-UHFFFAOYSA-N 410.536 3.295 0 40 HGAB O=c1c2c3c(sc2ncn1C[C@H](O)COc1cccc(Br)c1)CCC3 14184125 NERPXZAWPYRSMB-LBPRGKRZSA-N 421.316 3.149 0 40 HGAB Cc1nc(C(=O)NCC(=O)Nc2cc(Cl)ccc2Cl)nn1-c1ccc(F)cc1 15203953 NXKWJEKYQXNTLE-UHFFFAOYSA-N 422.247 3.390 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCC[C@@H]2CC(=O)NCc2ccc(F)cc2)cc1 15391095 UJTADBIXNOLAPY-GOSISDBHSA-N 420.506 3.084 0 40 HGAB Cc1cc(N2CCCC2)ccc1NC(=O)CN1C(=O)N[C@@](C)(c2ccccc2)C1=O 15951966 AXXJWAAIEXKHRJ-QHCPKHFHSA-N 406.486 3.001 0 40 HGAB COc1ccc(C(=O)N2c3ccccc3C[C@H]2C)cc1S(=O)(=O)N1CCCC1 16022767 JVXNEKLYMILLLG-OAHLLOKOSA-N 400.500 3.071 0 40 HGAB CCCCn1cc(S(=O)(=O)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)c(C)n1 19502438 OQBYAXURANZCQH-MRXNPFEDSA-N 401.536 3.436 0 40 HGAB COc1cccc(C(=O)NC(NC[C@@H]2CCCO2)(C(F)(F)F)C(F)(F)F)c1 19944657 DWJAFDDYXMIRPT-LBPRGKRZSA-N 400.319 3.015 0 40 HGAB CCCCNS(=O)(=O)c1ccc(OCC(=O)N[C@@H](C)c2ccc(OC)cc2)cc1 20020817 HYJWRTYOMQOUFY-INIZCTEOSA-N 420.531 3.030 0 40 HGAB Cc1ccc(CCCNC(=O)C2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1 20037362 OXZZICXFTHWGHU-UHFFFAOYSA-N 414.571 3.286 0 40 HGAB CC[C@H](CNC(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)noc2C)C1)c1ccccc1 21840717 NPLCNRXUULGKEM-MJGOQNOKSA-N 419.547 3.002 0 40 HGAB CCN(c1cc(OC)c(OC)cc1C(=O)Nc1c(C)cccc1C)S(C)(=O)=O 22251876 SRNVMNGAZWFIKI-UHFFFAOYSA-N 406.504 3.359 0 40 HGAB COc1ccc(S(=O)(=O)N[C@H](C)c2ccc(C)cc2C)cc1N1CCCC1=O 22528075 UIFPZPIHPMLWLB-MRXNPFEDSA-N 402.516 3.478 0 40 HGAB CCOC(=O)C1CCN([C@@H](c2cccc(C)c2)c2sc3nc(C)nn3c2O)CC1 22626247 XONRSEMPUHXCAA-KRWDZBQOSA-N 414.531 3.478 0 40 HGAB COc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccco1)N1CCc2ccccc2C1 22907477 ULLUJINBJZTIFW-FQEVSTJZSA-N 419.481 3.143 0 40 HGAB O=C(Nc1ccc(N2CCOCC2)nc1)c1cccc(NC(=O)c2cccs2)c1 22995100 RCZLJUWCCYPBGS-UHFFFAOYSA-N 408.483 3.484 0 40 HGAB C[C@H](c1nc(C(C)(C)C)no1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 23903812 UPIDCDFKWNJGQS-LLVKDONJSA-N 418.972 3.150 0 40 HGAB O=C(c1ccc(OC[C@H]2CCCO2)cc1)N1CCC(c2nnc3ccccn23)CC1 24327071 JPLRFULDRAPRHN-HXUWFJFHSA-N 406.486 3.307 0 40 HGAB C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)c2cc3ccc(Cl)cc3[nH]2)C1=O 28879325 ITEIBDHDNYGOLQ-OAQYLSRUSA-N 410.861 3.409 0 40 HGAB Cc1nc(-c2ccc3c(c2)CCN3C(=O)Cn2cnc3sccc3c2=O)cs1 30513049 IBTLMKVGPNKNOP-UHFFFAOYSA-N 408.508 3.479 0 40 HGAB O=C(NCc1ccc(-n2ccnc2)cc1)c1ccccc1I 30851424 CKIKDMJXCBVYKR-UHFFFAOYSA-N 403.223 3.407 0 40 HGAB CS(=O)(=O)N1CC[C@@H](C(=O)N2CCCc3ccccc32)Oc2ccc(Cl)cc21 30946852 GEIUNQTWCZXJNV-IBGZPJMESA-N 420.918 3.237 0 40 HGAB CCc1ccc([C@H](CNC(=O)COc2ccc(N3CCCC3=O)cc2)N(C)C)cc1 32733940 VLDHYTYMSHMQSM-QFIPXVFZSA-N 409.530 3.174 0 40 HGAB COc1cc(NC(=O)c2csc(Br)c2)ccc1NS(C)(=O)=O 32818609 QCGQDXLMRLEVLX-UHFFFAOYSA-N 405.295 3.143 0 40 HGAB O=C(CSc1nnc2[nH]c3ccccc3n12)Nc1cc(Cl)ccc1-n1cncn1 32911136 LOGWFLGWYJHBRO-UHFFFAOYSA-N 424.877 3.176 0 40 HGAB Cc1ccc2[nH]cc(CCN3C[C@H](C(=O)N4CCc5ccccc5C4)CC3=O)c2c1 35558677 PCVAWJGYTUQMEQ-OAQYLSRUSA-N 401.510 3.452 0 40 HGAB Cc1nn(-c2ccc(=O)[nH]n2)c2c1[C@@H](c1ccc(-c3ccccc3F)o1)CC(=O)N2 36360120 QAIWIGDZWLAPMC-CYBMUJFWSA-N 405.389 3.137 0 40 HGAB CCc1nnc(-c2ccc(OC)c(NC(=O)[C@H]3CC(=O)N(C4CCCCC4)C3)c2)o1 36752251 KCAWDWGDISYCJC-HNNXBMFYSA-N 412.490 3.427 0 40 HGAB COc1ccc(CN(C)C(=O)Nc2cc(S(=O)(=O)N(C)C)cc(C)c2C)cc1F 40104123 IRHNJDYYCCSSGZ-UHFFFAOYSA-N 423.510 3.365 0 40 HGAB Cc1nc(SCC(=O)N2CC[C@@H](C)Sc3ccccc32)sc1CC(N)=O 48260511 ZFWZJJXUPJZTOP-LLVKDONJSA-N 407.586 3.489 0 40 HGAB COc1cc(C)c(S(=O)(=O)N2CCCN(CC3CCCCC3)CC2)cc1OC 48374008 KBWBRZGMNPAHIR-UHFFFAOYSA-N 410.580 3.289 0 40 HGAB CCOc1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)c1 55768057 UOLQCSMAQOAFHH-HNNXBMFYSA-N 406.479 3.264 0 40 HGAB COc1cc(CN2CCN(c3ccccc3O)CC2)c(OC)cc1Br 57381149 ZQDUGUGEHTXYTR-UHFFFAOYSA-N 407.308 3.494 0 40 HGAB CC(C)c1ccc(N[C@H](C)C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 57739335 WXUYTIJOQYYMQS-GOSISDBHSA-N 415.559 3.144 0 40 HGAB C[C@H](NC(=O)CN(C)C(=O)c1ccc(Br)s1)c1nc2ccccc2[nH]1 59368433 XGZDHTMEVMUNQA-JTQLQIEISA-N 421.320 3.336 0 40 HGAB O=C(Nc1nccs1)[C@H]1CCCN1C(=O)Cc1cc(Cl)c2c(c1)OCCCO2 69453336 RLQLMANBHGIPKB-CQSZACIVSA-N 421.906 3.130 0 40 HGAB CCc1nc(NC(=O)c2cccc(N3NC(=O)[C@@H]4CC=CC[C@H]4C3=O)c2)sc1C 69928845 VLYSEOGMHVTSKB-HZPDHXFCSA-N 410.499 3.226 0 40 HGAB C[C@H](OC(=O)CCS(=O)(=O)C1CCCC1)[C@H]1CCCCN1C(=O)OC(C)(C)C 72310732 KJTHHBYAEFGVLD-DOTOQJQBSA-N 417.568 3.455 0 40 HGAB COc1ccc(OC)c(CN2CCNC(=O)[C@H]2Cc2ccc(-c3cccnc3)cc2)c1 72351870 PYWBEKDRNYERND-HSZRJFAPSA-N 417.509 3.309 0 40 HGAB CC(C)C[C@H](C(=O)NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCCCC1=O 79071648 LFMRRVNBTMMUES-OAHLLOKOSA-N 416.400 3.484 0 40 HGAB COC(=O)CCCCCCCNC(=O)CCCn1c(C)nc2ccccc2c1=O 79107069 HLWLAYVJNBZPGD-UHFFFAOYSA-N 401.507 3.115 0 40 HGAB COc1ccc(-c2nc(CN3CCNC(=O)C[C@H]3C(F)(F)F)cs2)c(OC)c1 89434888 YSAMFCAWWICRSE-HNNXBMFYSA-N 415.437 3.080 0 40 HGAB COc1cccc(-c2ccc3nc(C4CCN(C(=O)c5ccnnc5)CC4)nn3c2)c1 96038234 JSRQHAKVXZBSLQ-UHFFFAOYSA-N 414.469 3.215 0 40 HGAB O=C(O)CN1C(=O)/C(=C/c2ccc(F)c(Br)c2)c2ccccc2C1=O 97997539 NXXDJWLPFHMSJR-NTUHNPAUSA-N 404.191 3.196 0 40 HGAB COC(=O)C1=C(C)Nc2nc(SCc3ccccc3)[nH]c(=O)c2[C@@H]1c1cccnc1 100821749 PIDMLZYQPPLLEY-QGZVFWFLSA-N 420.494 3.462 0 40 HGAB NC(=O)c1cc(Cc2ccccc2)sc1NC(=O)[C@@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1CC2 102334431 DIBMWTRICLPVDY-USJZOSNVSA-N 410.495 3.289 0 40 HGAB CCOC(=O)c1ccccc1NC(=O)[C@@H](C)N(c1ccc(C)c(C)c1)S(C)(=O)=O 107709907 UYHZPXHSSNEMJI-MRXNPFEDSA-N 418.515 3.273 0 40 HGAB COc1ccc([C@@H](C)NC(=O)CCCN(c2ccc(OC)cc2)S(C)(=O)=O)cc1 113960934 VBLGBSUKRGUKFS-MRXNPFEDSA-N 420.531 3.127 0 40 HGAB CCOC(=O)c1ccc(NC(=O)[C@H]2C(=O)N(C)[C@@]3(C)C[C@H]2c2ccccc2O3)cc1 137847241 JTACJWZZFAPPCS-WCAVRKLYSA-N 408.454 3.173 0 40 HGAB COc1ccc(N2C[C@@H](C(=O)Nc3ccc(C(=O)OCC(C)C)cc3)CC2=O)cc1 170554672 QLPOPCFJNVDVEQ-KRWDZBQOSA-N 410.470 3.500 0 40 HGAB COc1ccc([C@@H](C)NC(=O)[C@H](C)N(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1 216190088 IRLBUXHQMSKVAX-SJORKVTESA-N 404.532 3.344 0 40 HGAB Cc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H]2CC(C)(C)Oc3cc(C)ccc32)cc1 219013075 CRIJHGQDTHSKTA-LJQANCHMSA-N 416.543 3.343 0 40 HGAB C[C@H](C(=O)NCCCc1ccc(Cl)cc1)N(c1cccc(F)c1)S(C)(=O)=O 220482236 FOOFPWCNHPQXCU-CQSZACIVSA-N 412.914 3.383 0 40 HGAB C[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCc1ccc2ccccc2c1 222818845 FSNMJPSLDDULCY-MRXNPFEDSA-N 412.511 3.319 0 40 HGAB COc1ccc(C(=O)N2c3ccc(S(=O)(=O)N4CCCCC4)cc3C[C@H]2C)cc1 223088810 DRDINQRAFCGKAW-MRXNPFEDSA-N 414.527 3.461 0 40 HGAB Cc1ccc(CNC(=S)Nc2ncc(Br)nc2Br)o1 223906220 NMQBPBPFVKWGLN-UHFFFAOYSA-N 406.103 3.390 0 40 HGAB Cc1ccc(N(CCCC(=O)NCCOc2cc(C)ccc2C)S(C)(=O)=O)cc1 224029917 UKMHGQGSGGIKDN-UHFFFAOYSA-N 418.559 3.353 0 40 HGAB CCc1ccc(CC)c(CNC(=O)[C@H](C)N(c2cccc(OC)c2)S(C)(=O)=O)c1 224417773 YZQMVBRCEYTFCM-INIZCTEOSA-N 418.559 3.291 0 40 HGAB C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1cccc(N(C)S(C)(=O)=O)c1 224714595 WSFTYNYPJMOWTK-OAHLLOKOSA-N 402.516 3.367 0 40 HGAB COc1cc2c(cc1S(=O)(=O)NCc1nc(-c3ccccc3C)no1)CCCC2 225022858 MHFCWDBPWLAQSL-UHFFFAOYSA-N 413.499 3.411 0 40 HGAB Cc1nn(C)c(C)c1C(=O)N1CCC(c2cc(C(=O)Nc3ccccc3F)[nH]n2)CC1 225562697 GAFQGYXMHPNCJF-UHFFFAOYSA-N 424.480 3.171 0 40 HGAB O=C(c1cc(-c2cccnc2)on1)N1CC[C@@H](Oc2cc(C(F)(F)F)ccn2)C1 225733390 ZGNDYGWLOZIWOY-CQSZACIVSA-N 404.348 3.444 0 40 HGAB CS(=O)(=O)c1ccc2nc(NC(=O)c3ccc(F)c(-n4cccn4)c3)sc2c1 257344927 ZZGXDEAFCDEFRW-UHFFFAOYSA-N 416.459 3.277 0 40 HGAB COc1ccc(OC)c(N(CC(=O)N[C@H](C)C(C)C)S(=O)(=O)c2ccccc2)c1 260903941 YHWDPDDEFHFXCQ-MRXNPFEDSA-N 420.531 3.060 0 40 HGAB CC(C)OC(=O)c1ccc(N2C[C@H](C(=O)OCC(=O)c3cccs3)CC2=O)cc1 408636552 ADERAZGGUWZVMC-OAHLLOKOSA-N 415.467 3.092 0 40 HGAB COCCNC(=O)c1nc(-c2ccc(Br)cc2)n(-c2ccc(F)cc2)n1 408692578 PSERVGKUDGXJHX-UHFFFAOYSA-N 419.254 3.212 0 40 HGAB O=C(O)C[C@@H]1CCN(C(=O)COc2ccccc2)C[C@@H]1Cc1nc2ccccc2[nH]1 514289549 NZHOIMQVMZHPMZ-IRXDYDNUSA-N 407.470 3.124 0 40 HGAB biogenic,in-vitro CC(=O)N1CC2=C(C1=O)[C@@H](c1cnn(C)c1)c1cn(CC(C)C)c3cccc(c13)N2 524729461 UYDYBDNJSOWIQU-FQEVSTJZSA-N 403.486 3.231 0 40 HGAB biogenic Cc1cc(C)nc(O[C@@H]2CCCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)C2)n1 575614095 WPWVWULFWLZCAQ-OAHLLOKOSA-N 415.437 3.344 0 40 HGAB O=C1C[C@H](C(=O)N2CCCC3=C[C@H]4C[C@@H](CN5CCCC[C@@H]45)[C@@H]32)CN1Cc1ccco1 583647630 WJXXWLHUWHORMV-QFNSLMPFSA-N 423.557 3.050 0 40 HGAB biogenic C=CC(=O)N1CCC(C(=O)N2CCC[C@@](OC)(C(F)(F)F)C2)(c2ccccc2)CC1 1567655527 VNRMVKGFEJSSOZ-NRFANRHFSA-N 424.463 3.303 0 40 HGAB CCCN1CCN(C(=O)C(C)(C)N)C[C@@H](Cc2ccc(-c3ccccc3)cc2)C1=O 1848354100 BBLMERTYAPWWON-JOCHJYFZSA-N 407.558 3.330 0 40 HGAB Cc1nc2ccc(OCC3CCN(C(=O)[C@@H]4OCCc5ccccc54)CC3)nn2c1C 1888913787 VFPSBDUAIOLOJA-HSZRJFAPSA-N 420.513 3.278 0 40 HGAB COC(=O)c1c(NC(=O)COc2ccccc2)sc(C(=O)N2CCCCC2)c1C 871478 SUJIAEKCJZREMZ-UHFFFAOYSA-N 416.499 3.487 0 40 HGAB COC(=O)NC(Nc1sc2c(c1C(N)=O)CCCC2)(C(F)(F)F)C(F)(F)F 978333 UALMIORZLPLUGU-UHFFFAOYSA-N 419.347 3.315 0 40 HGAB Cc1ccc2c(c1)s/c(=N/C(=O)c1ccc(S(=O)(=O)N3CCCC3)cc1)n2C 1518350 PIXUONNXZWHHCJ-QZQOTICOSA-N 415.540 3.074 0 40 HGAB Cc1c(O[C@H](C)C(=O)N[C@@H](CC(C)C)C(=O)O)ccc2c3c(c(=O)oc12)CCCC3 2104380 GMCPAQUBAJWWSS-KDOFPFPSSA-N 415.486 3.363 0 40 HGAB biogenic CCN(CC)C(=S)SCC(=O)Nc1ncc2c(n1)C[C@@H](c1ccco1)CC2=O 2409855 GVDMVIACXGJOAF-GFCCVEGCSA-N 418.544 3.281 0 40 HGAB O=C(Nc1nnc(-c2ccccc2)s1)c1ccc(S(=O)(=O)N2CCCC2)cc1 3268611 WRPJDFUKBPQQAL-UHFFFAOYSA-N 414.512 3.242 0 40 HGAB COc1cccc(-c2cc(C(F)(F)F)nc(S[C@H]3CC(=O)[C@H]4OC[C@@H]3O4)n2)c1 4577732 BOIQZGSNLVRFNN-DZKIICNBSA-N 412.389 3.346 0 40 HGAB CCc1c(C)nc(N)n2c(SCC(=O)Nc3ccccc3C(F)(F)F)nnc12 4966030 ABVJMBFWULYQLY-UHFFFAOYSA-N 410.425 3.327 0 40 HGAB COc1ccc(Cc2nnc(SCC(=O)Nc3ccccc3Cl)[nH]c2=O)cc1 5154685 YYNMCPVYCFAOMU-UHFFFAOYSA-N 416.890 3.149 0 40 HGAB CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc(C)s2)c2c([nH]c(=O)[nH]c2=O)N1 5867032 ZWOUFMHGJQDCLL-MRXNPFEDSA-N 409.467 3.008 0 40 HGAB O=C(CNS(=O)(=O)/C=C/c1ccccc1)OCc1csc(-c2ccccc2)n1 5905743 BSPFZEWTXCUULZ-VAWYXSNFSA-N 414.508 3.444 0 40 HGAB COc1cc(C(=O)N[C@H](C(=O)NC2CCCCCC2)C(C)C)cc(OC)c1OC 6049849 HGXLBXSHLVFYIK-IBGZPJMESA-N 406.523 3.306 0 40 HGAB Cc1cc(C(=O)OCC(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)no1 6602667 BAVJBVBCTKESGP-OAHLLOKOSA-N 407.426 3.270 0 40 HGAB O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)c1cc2c3c(c1)CC(=O)N3CCC2 6605941 GXFSCGGGNAOYBX-UHFFFAOYSA-N 410.779 3.239 0 40 HGAB CCCN1C(=O)S/C(=C/c2ccc(OCC(=O)OC)c(Br)c2)C1=O 6656428 ZVHDQJZUTZJQBA-MDWZMJQESA-N 414.277 3.447 0 40 HGAB C[C@H]1CCc2c(sc3c2c(=O)n(CC(=O)O)c(=O)n3CCCc2ccccc2)C1 6759008 HHECKJMGACEUOZ-AWEZNQCLSA-N 412.511 3.067 0 40 HGAB COc1cc(C(=O)NCc2ccccn2)ccc1OCC(=O)Nc1ccc(F)cc1 7784874 JVZONYSXEHRROO-UHFFFAOYSA-N 409.417 3.177 0 40 HGAB C[C@H](C(=O)NCCSC1CCCCC1)N(c1ccc(F)cc1)S(C)(=O)=O 7872050 KIOAGORJTVSMTI-CQSZACIVSA-N 402.557 3.162 0 40 HGAB Cn1/c(=N/C(=O)c2cccc(C(F)(F)F)c2)sc2cc(S(C)(=O)=O)ccc21 9444874 SPGAHDUBNRALBB-PGMHBOJBSA-N 414.430 3.403 0 40 HGAB O=C(Cc1csc(NC(=O)c2ccc3c(c2)OCO3)n1)NCCc1ccccc1 9659265 FOFBFGCFWFHLND-UHFFFAOYSA-N 409.467 3.026 0 40 HGAB Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)Nc3ncc(C)s3)CC2)c(C)c1 10555959 LQNNHBVGTICLLA-UHFFFAOYSA-N 407.561 3.416 0 40 HGAB O=C(OCc1nnnn1Cc1ccccc1)c1cccc(NC(=O)c2cccs2)c1 11539918 DCSVNBKFGMJXOV-UHFFFAOYSA-N 419.466 3.392 0 40 HGAB CCN(CC)[C@@H](CNC(=O)CCCNC(=O)c1ccsc1)c1cccc(OC)c1 12728433 WFXPTHDJAWTIEZ-FQEVSTJZSA-N 417.575 3.466 0 40 HGAB CCC(CC)[C@H](CNC(=O)c1ccc(F)cc1Br)N1CCOCC1 12733829 PZZJRDZGNGSRDV-KRWDZBQOSA-N 401.320 3.455 0 40 HGAB CS(=O)(=O)c1ccccc1S(=O)(=O)N[C@H]1CCSc2ccc(Cl)cc21 12810507 ZXRKYPSPZYYCKJ-ZDUSSCGKSA-N 417.961 3.259 0 40 HGAB O=C(CSc1nnc(-c2ccccc2)o1)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O 13414477 PGLNDOHAZKLBDP-QGZVFWFLSA-N 422.466 3.122 0 40 HGAB CS(=O)(=O)Cc1ccc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc1 14200117 FYMWCXWOHQOZIE-LJQANCHMSA-N 415.511 3.370 0 40 HGAB COc1cc([C@@H]2CC(O)=Nc3c2c(C)nn3-c2ccc(Cl)nn2)cc(OC)c1O 15083818 YVTMOAKYSLKNCN-NSHDSACASA-N 415.837 3.471 0 40 HGAB COc1ccc(CC(=O)Nn2cnc3scc(-c4ccccc4)c3c2=O)c(OC)c1 15602534 AUXJUBPOWNRNKR-UHFFFAOYSA-N 421.478 3.455 0 40 HGAB CCC(=O)Nc1nnc(SCc2cc(=O)c(OC(=O)c3cccs3)co2)s1 16047803 PDFLHPTWDYUDDQ-UHFFFAOYSA-N 423.497 3.413 0 40 HGAB CC(C)C(=O)N1CCO[C@@](Cc2ccccc2-c2ccsc2)(C(=O)N(C)C)C1 19085890 MVDUXFATCSZZCZ-JOCHJYFZSA-N 400.544 3.299 0 40 HGAB c1cnc(N2CCN(c3ncc(-c4ccsc4)c(-c4cccnc4)n3)CC2)nc1 19340148 ATAWSFGFUWGVAA-UHFFFAOYSA-N 401.499 3.384 0 40 HGAB Cc1nc(COc2ccc(C(=O)OCc3nnnn3-c3ccccc3)cc2)cs1 19366189 KWBNNZCSSXHJJR-UHFFFAOYSA-N 407.455 3.363 0 40 HGAB COc1cccc(CNC(=O)c2cc([C@H]3CCCN(Cc4ccccn4)C3)no2)c1 19565638 ADFZAJZXSAQZON-SFHVURJKSA-N 406.486 3.388 0 40 HGAB COc1ccc2[nH]cc(C(=O)CN3CCC(O)(CN(C)Cc4ccccc4)CC3)c2c1 19586529 LDYRFQNPOMEGQU-UHFFFAOYSA-N 421.541 3.318 0 40 HGAB Cc1cccc(C2(C(=O)NCc3ccc(CN4CCCC4=O)cc3)CCOCC2)c1 19662249 IQCXTLFMCWWMHP-UHFFFAOYSA-N 406.526 3.482 0 40 HGAB COc1ccc([C@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCC3)c2)cc1 20490890 DCJYKHZOOBFQQW-INIZCTEOSA-N 402.516 3.279 0 40 HGAB CC(C)S(=O)(=O)c1ccccc1C(=O)NCCOc1cccc2c1OC(C)(C)C2 25302940 UGYXDEGWOMEBRT-UHFFFAOYSA-N 417.527 3.391 0 40 HGAB CN(C(=O)c1ccccc1C(=O)OCc1nnnn1-c1ccccc1)C1CCCCC1 26469098 COYKDPIPAMPVHY-UHFFFAOYSA-N 419.485 3.424 0 40 HGAB COc1ccc(/C=c2/sc3nc(-c4ccccc4Br)nn3c2=O)cc1 26532226 JPHFQMAHCVPRRP-XNTDXEJSSA-N 414.284 3.137 0 40 HGAB CNC(=O)[C@@H]1Cc2ccccc2CN1Cc1nc(-c2cccc(C(F)(F)F)c2)no1 26917769 WJFJTVBBHWFSFA-KRWDZBQOSA-N 416.403 3.428 0 40 HGAB C[C@H]1Cc2cc(S(=O)(=O)NCc3cccnc3)ccc2N1C(=O)c1ccccc1 28206814 QMQGEKKAHADWBU-INIZCTEOSA-N 407.495 3.152 0 40 HGAB Cc1ccc(NC(=O)CCNC(=O)C2CCCC2)cc1I 30721636 XIQANYRWLIADGE-UHFFFAOYSA-N 400.260 3.235 0 40 HGAB COC(=O)[C@H](CCSC)NC(=O)N1CCC[C@H](c2nc3ccccc3s2)C1 32074363 NHUZRPAZHDWCFE-ZFWWWQNUSA-N 407.561 3.480 0 40 HGAB O=C([C@H]1CC(=O)N(c2ccccc2F)C1)N1CCC(O)(c2ccc(Cl)cc2)CC1 32106200 TXQOSDZYVFNBPV-HNNXBMFYSA-N 416.880 3.342 0 40 HGAB C[C@H](NC(=O)CN1C(=O)N[C@](C)(c2ccccn2)C1=O)c1ccc(Cl)cc1Cl 32915324 AOAWZCDKLWTBMS-JEOXALJRSA-N 421.284 3.033 0 40 HGAB CC1(C)NC(=O)N(CCCOC(=O)COc2cc(Cl)c(Cl)cc2Cl)C1=O 32922244 NBHRJMRQFGHJMZ-UHFFFAOYSA-N 423.680 3.289 0 40 HGAB O=C(COc1ccc(Cl)cc1Cl)N1CC(=O)N2CCc3ccccc3[C@H]2C1 36108721 QKPMSBDNGSUYAX-QGZVFWFLSA-N 405.281 3.340 0 40 HGAB CNC(=O)c1ccc(OCc2ccc(S(=O)(=O)N(C)Cc3ccccc3)o2)cc1 36365808 CHUSYXTWLLTXPJ-UHFFFAOYSA-N 414.483 3.039 0 40 HGAB O=C(NCC(F)(F)F)c1ccc(NC(=O)N2CCN(c3ccccc3O)CC2)cc1 40104971 CDGJYIOWAJTFAQ-UHFFFAOYSA-N 422.407 3.038 0 40 HGAB COc1cn(-c2ccccc2)nc1C(=O)Nc1cccc(OCCn2ccnc2)c1 40134883 YNFNQTAUHOZULY-UHFFFAOYSA-N 403.442 3.409 0 40 HGAB COCCOc1ccc(S(=O)(=O)NCc2ccsc2-n2cccc2)cc1C 40155792 RXZYOJXYNBMCFV-UHFFFAOYSA-N 406.529 3.351 0 40 HGAB O=C(OCc1nnc(-c2cccs2)o1)[C@@H]1CSCN1C(=O)NC1CCCCC1 40556260 GQUVJIKCRYCZLS-ZDUSSCGKSA-N 422.532 3.259 0 40 HGAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1 44902083 PHDSPKMSCUKTHH-LJQANCHMSA-N 410.514 3.452 0 40 HGAB Cc1ccc2[nH]c3c(c2c1)CN(C(=O)CN1CCN(c2ccccc2F)CC1)CC3 57058779 XTBXCJZHZCZVBU-UHFFFAOYSA-N 406.505 3.322 0 40 HGAB NC(=O)c1c(NC(=O)CN(Cc2cccs2)C[C@@H]2CCCO2)sc2c1CCC2 57293340 HPVUBAWTZGXCJJ-ZDUSSCGKSA-N 419.572 3.017 0 40 HGAB CN(C(=O)Cn1ncn2nc(-c3cccc4ccccc34)cc2c1=O)c1ccccc1 67208478 FIWIJVGUCUQYCL-UHFFFAOYSA-N 409.449 3.374 0 40 HGAB CC(=O)N1CCC(N[C@H]2C[C@@H](Cc3cc(CN4CCCCC4)on3)C2(C)C)CC1 67890340 AHBLGJCQROYJDY-GCJKJVERSA-N 402.583 3.218 0 40 HGAB biogenic,in-vitro COc1cc(NC(=O)NCc2ccc(-n3ccnc3)cc2)ccc1N1CCCC1=O 69968839 QQMABOINEYOFRV-UHFFFAOYSA-N 405.458 3.329 0 40 HGAB CC(C)(C)c1ccc(S(=O)(=O)NCC2CCN(C(=O)c3ccncc3)CC2)cc1 70904272 IPJPOMXMXSONBZ-UHFFFAOYSA-N 415.559 3.210 0 40 HGAB O=C(Nc1ccc(Oc2ncccn2)cc1)[C@H](c1cccc(F)c1)N1CCOCC1 72296608 BMHANCCNTGCUJJ-FQEVSTJZSA-N 408.433 3.420 0 40 HGAB Cn1cnc(S(=O)(=O)N2CCC[C@@H](c3cccc(-c4ccccc4F)n3)C2)c1 72350313 GQNALGYNIXPLBB-OAHLLOKOSA-N 400.479 3.190 0 40 HGAB COC(=O)CCNC(=O)[C@@H]1c2ccccc2C(=O)N(CC(C)C)C12CCCCC2 79488858 CELWDEFWRZHHTD-FQEVSTJZSA-N 400.519 3.264 0 40 HGAB CC(=O)c1cccc(NC(=O)[C@@H](NC(=O)N2CCN(c3ccccc3)CC2)C(C)C)c1 79502168 YIZKHYYMJXNUOE-QFIPXVFZSA-N 422.529 3.384 0 40 HGAB CNC(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)C(C)C)ccc2F)c(Cl)c1 89890990 WGEOWRGUWRHYEF-UHFFFAOYSA-N 412.870 3.273 0 40 HGAB COc1ccc(Cn2c(=O)n(Cc3cccc(C)c3)c(=O)c3nscc32)cc1F 90610259 HQVWBBQYOGEXIX-UHFFFAOYSA-N 411.458 3.172 0 40 HGAB C[C@@H](C(=O)NCc1ccccc1)N1CCC(c2c[nH]c3ccc(C(N)=O)cc23)CC1 95466738 PAWAALZOHNBUFM-INIZCTEOSA-N 404.514 3.151 0 40 HGAB Cn1c(=O)c(CCC(=O)NCCn2ccc3ccc(Cl)cc32)nc2ccccc21 95472806 BWYDNXOLQWODDC-UHFFFAOYSA-N 408.889 3.291 0 40 HGAB COC(=O)c1nc(NC(=O)Cc2c(C)n[nH]c2-c2ccc(OC)cc2)sc1C 95480673 UYBLEQGQGHSPFN-UHFFFAOYSA-N 400.460 3.126 0 40 HGAB CC(=O)N1CCc2nc3cc([C@H]4CCCCN4Cc4ccccc4F)nn3c(O)c2C1 100242867 GGROGTZRHHOZLD-OAQYLSRUSA-N 423.492 3.206 0 40 HGAB Cc1cc(-c2cnc(N(C)C)nc2[C@H]2CC[C@H](CNC(=O)[C@@H]3CCCO3)CC2)on1 100743942 SNAHWHTVSPPFKU-JZXOWHBKSA-N 413.522 3.075 0 40 HGAB CC[C@H](C(=O)N(C)Cc1ccc(OC)cc1)N(c1ccccc1F)S(C)(=O)=O 220584877 CTFGQGAELNHAHL-GOSISDBHSA-N 408.495 3.038 0 40 HGAB Cc1ccccc1CSCCNC(=O)c1cccc(N(C)S(C)(=O)=O)c1C 222431728 IGJWHNLDGLZJTF-UHFFFAOYSA-N 406.573 3.362 0 40 HGAB COc1ccc(CN(C(C)=O)[C@@H](C(=O)NCc2cccnc2)c2ccccc2)cc1 223542888 KJIUGACJHKPMQX-HSZRJFAPSA-N 403.482 3.496 0 40 HGAB CC[C@H](C(=O)NCCOc1ccccc1Cl)N(c1ccc(C)cc1)S(C)(=O)=O 224303518 JSZGVHZSVNOWLS-GOSISDBHSA-N 424.950 3.388 0 40 HGAB COc1ccccc1NC(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1OC 225767924 BIXCHVVRPSEVST-UHFFFAOYSA-N 405.476 3.132 0 40 HGAB Cc1nc(C)n(CCC(=O)N2CCO[C@@H](c3cccc(Cc4ccccc4C)n3)C2)n1 257209542 BQURXPUYUDZOGY-HSZRJFAPSA-N 419.529 3.179 0 40 HGAB Cc1ccc(O[C@H](C)C(=O)N2CCC(c3cncc(Nc4ncccn4)n3)CC2)cc1 257268413 MLPIRGOOXUWHSO-QGZVFWFLSA-N 418.501 3.492 0 40 HGAB CCS(=O)(=O)N1C[C@@H](C(=O)N[C@H](C)c2ccc(C)c(C)c2)Oc2ccccc21 260455445 QWHLKNGGOFKCCZ-UZLBHIALSA-N 402.516 3.098 0 40 HGAB COc1ccc(C)cc1S(=O)(=O)N1CCC[C@H](C(=O)NCc2cccc(C)c2)C1 260728442 BEOCNIZRNNVTIX-IBGZPJMESA-N 416.543 3.029 0 40 HGAB CN1CCN(C(=O)Cc2ccco2)C[C@H]1c1nnn2cc(-c3cccc(F)c3)ccc12 306140933 VHCLJFSGOXSAJN-NRFANRHFSA-N 419.460 3.186 0 40 HGAB COc1ccc(N(CC(=O)NC(c2ccccc2)c2ccccc2)S(C)(=O)=O)cc1 408617593 HGCYPAIPJDYIJF-UHFFFAOYSA-N 424.522 3.367 0 40 HGAB Cc1c(Cl)cccc1NC(=O)[C@@H](C)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 408704603 QJOXABBHJNKORW-CYBMUJFWSA-N 424.906 3.213 0 40 HGAB CN(Cc1nnc(-c2ccccc2)o1)S(=O)(=O)c1ccc(Br)cc1 408713844 AMBRADQLGQJCMH-UHFFFAOYSA-N 408.277 3.320 0 40 HGAB COC(=O)C(=Cc1ccc(OCc2ccc(C(=O)O)cc2)c(Cl)c1)C(=O)OC 409071148 FEGVFXQNEPBJNU-UHFFFAOYSA-N 404.802 3.347 0 40 HGAB Cc1cc(C)cc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)c1 409124835 CXFUCHBWRHSOKC-OAHLLOKOSA-N 400.862 3.492 0 40 HGAB COc1ccccc1NC(=O)CN1C(=O)S/C(=C\c2ccc3c(c2)OCO3)C1=O 409212482 QLSZLPJICBDSGA-MFOYZWKCSA-N 412.423 3.099 0 40 HGAB O=C(c1c(Cl)cncc1Cl)N1CCN([C@H]2CCN(Cc3ccccc3)C2)CC1 519771648 CWJABHQDVLMMKL-KRWDZBQOSA-N 419.356 3.421 0 40 HGAB O=C(Cn1cc(Br)cn1)NC[C@H](c1cccc(Cl)c1)N1CCCC1 613675181 TXCWJRRCBASENF-MRXNPFEDSA-N 411.731 3.252 0 40 HGAB CC(=O)N1CCC2(CCCCOC[C@@H]3CCCN3C(=O)c3ccccc3OC2)CC1 643564967 PTLIPLOVLVWEQY-FQEVSTJZSA-N 414.546 3.499 0 40 HGAB CC(C)(C)OC(=O)c1n[nH]cc1NC(=O)c1ccc2c(Br)cnn2c1 1627560508 YPGWDPFBSDGRSL-UHFFFAOYSA-N 406.240 3.028 0 40 HGAB Cc1nc(C)c(CN(C)C2CN(c3ccc4nnc(-c5cccc(F)c5)n4n3)C2)s1 1775972830 XWMADVHNCCXUAG-UHFFFAOYSA-N 423.521 3.324 0 40 HGAB COc1ccc(CCC(=O)N2C[C@H]3CN(c4ccc(C(C)(C)C)nn4)C[C@@H]3C2)cc1 1888888291 UESFKYRBXXYYHY-RTBURBONSA-N 408.546 3.310 0 40 HGAB COc1ccc(C(=O)N2CCC[C@]3(CCCN(Cc4csc(C)n4)C3)C2)cn1 2056224194 LNWHKUIVQIAQMX-NRFANRHFSA-N 400.548 3.374 0 40 HGAB CCc1nnc(NS(=O)(=O)c2ccc(NC(=O)c3c(F)cccc3F)cc2)s1 945085 QEXDASRGZAXVEO-UHFFFAOYSA-N 424.454 3.432 0 40 HGAB O=C(O)c1cccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)OCC(F)(F)C(F)F)c1 1446326 ZFLJYPCTGLQGNP-QWHCGFSZSA-N 403.328 3.349 0 40 HGAB CCN1CCC[C@@H]1CN/C=C1/C(=O)N(c2ccc(OC)cc2)C(=O)c2ccccc21 2197453 PBEUJHKXZRRKLN-IPEVAPCJSA-N 405.498 3.297 0 40 HGAB COc1cc(C(=O)Nc2nnc(COc3ccccc3)s2)cc(OC)c1OC 2309169 BNFYGXDLNTXCJM-UHFFFAOYSA-N 401.444 3.395 0 40 HGAB O=C(CSc1nc2ccccc2[nH]1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 3251603 PLIUHPYBIINGNH-UHFFFAOYSA-N 416.528 3.078 0 40 HGAB Nn1c(SCC(=O)NCCc2ccc(Cl)cc2)nnc1-c1ccc(Cl)cc1 3266210 UJFCKCWJIIUXFS-UHFFFAOYSA-N 422.341 3.417 0 40 HGAB O=C1CN(C(=O)COC(=O)C2c3ccccc3Oc3ccccc32)c2ccccc2N1 3416434 STBHUPXVYSBVGV-UHFFFAOYSA-N 414.417 3.453 0 40 HGAB COc1ccccc1Nc1nnc(SCC(=O)NC(=O)NC2CCCC2)s1 3494452 BQGHZBVHWNREMR-UHFFFAOYSA-N 407.521 3.151 0 40 HGAB O=C(COc1ccc2c(-c3ccccc3)cc(=O)oc2c1)NCCCn1ccnc1 3985155 AMJALMUHGMYUPN-UHFFFAOYSA-N 403.438 3.242 0 40 HGAB biogenic CSc1ccc(-c2ccc(=O)n3c2[C@@H]2C[C@@H](CN(C(=O)CCC(=O)O)C2)C3)cc1 4237475 WAQQPUVVJPUVRA-GOEBONIOSA-N 412.511 3.048 0 40 HGAB biogenic,in-vitro COc1cc(NC(=O)CSc2nnc(Cc3ccccc3)o2)cc(OC)c1OC 4834818 LZKPDXWQEPMFDA-UHFFFAOYSA-N 415.471 3.417 0 40 HGAB O=C(CSc1nnc(NC(=O)c2ccc(F)cc2)s1)NCc1cccs1 4905736 ZCIQRSSADBNXEP-UHFFFAOYSA-N 408.505 3.400 0 40 HGAB COCCNC(=O)c1c(NC(=O)COc2ccccc2C)sc2c1CCCC2 5027474 JVFXCOKKAHKSAS-UHFFFAOYSA-N 402.516 3.329 0 40 HGAB CCC(=O)NC(=S)Nc1ccc(NC(=S)NC(=O)c2cccc(F)c2)cc1 6709451 KEXGOWSRRQJNRT-UHFFFAOYSA-N 404.492 3.176 0 40 HGAB C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 6931728 HGJSITNMPSVKPR-OAHLLOKOSA-N 406.479 3.406 0 40 HGAB COc1ccccc1OCCNC(=O)COc1cc2oc(=O)cc(C)c2cc1Cl 7399258 ZPHXMZDPQQXATG-UHFFFAOYSA-N 417.845 3.337 0 40 HGAB Cc1cccc(NC(=O)COC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)c1C 7758808 WPAMLGJQBZVTAP-UHFFFAOYSA-N 409.891 3.303 0 40 HGAB CC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C)c1ccc(C)cc1 7792569 FQWKFHWJGACIGA-OAQYLSRUSA-N 416.543 3.205 0 40 HGAB Cc1cccc(C)c1N1C[C@H](C(=O)OCC(=O)Nc2ccccc2Cl)CC1=O 8040047 KGBBFWUVHJRJGF-OAHLLOKOSA-N 400.862 3.492 0 40 HGAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2nnnn2-c2ccc(C)cc2)c1C 8282790 HVKGIGDRXGWYSR-CQSZACIVSA-N 413.503 3.456 0 40 HGAB CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)CN1CSCC1=O 8356919 ULOUQMUROCWHFE-UHFFFAOYSA-N 406.511 3.031 0 40 HGAB CCc1cccc(CC)c1NC(=O)COC(=O)CCCC(=O)Nc1nnc(C)s1 8474575 DYNWSSXWTAHVEF-UHFFFAOYSA-N 418.519 3.262 0 40 HGAB O=C(c1ccc2ccccc2n1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 8718347 RILBDERMDDQTEA-UHFFFAOYSA-N 421.931 3.096 0 40 HGAB CCc1ccccc1NC(=O)CNC(=O)c1cc(Br)c(O)c(OC)c1 8756734 YXSOQEZKNLOWTN-UHFFFAOYSA-N 407.264 3.094 0 40 HGAB COc1cccc(-n2nnnc2SCC(=O)Nc2ccc(Br)cc2)c1 8763787 MSSVCDGMPHSRAV-UHFFFAOYSA-N 420.292 3.164 0 40 HGAB COC(=O)C1=C(CSc2nc3ccccc3[nH]2)NC(=O)N[C@H]1c1cccc(OC)c1 8994163 BIULHCRAAJAKRY-SFHVURJKSA-N 424.482 3.145 0 40 HGAB CC(C)Cn1c(S[C@@H](C)C(=O)NC[C@@H]2CCCO2)nc2ccc(Cl)cc2c1=O 9091491 ZJAAYBWPQSMVTC-ZFWWWQNUSA-N 423.966 3.482 0 40 HGAB CC(C)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C)C3)cc1 9622927 HZEBTKJGQKGAHC-GFCCVEGCSA-N 420.556 3.406 0 40 HGAB CN(CC(=O)NCc1ccco1)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 10031038 XYKHUJCWNFYQPJ-UHFFFAOYSA-N 403.788 3.139 0 40 HGAB O=C(Cc1ccc(Cl)cc1)NCCOc1ccc2nnc(-c3ccccc3)n2n1 11693843 GAMXYMKFQLCGCA-UHFFFAOYSA-N 407.861 3.182 0 40 HGAB COc1ccc(OC)c2c1cc(C(=O)NCC(=O)Nc1nc3ccccc3s1)n2C 12325028 HTGVKPHNEGKSFK-UHFFFAOYSA-N 424.482 3.174 0 40 HGAB COc1ccccc1N1CCN(C(=O)CCC(=O)c2ccc3c(c2)OCCCO3)CC1 12651550 ZXLMFOZHWYLAAF-UHFFFAOYSA-N 424.497 3.168 0 40 HGAB CCN(CC(=O)NCc1ccc(Cl)cc1)C(=O)CCCNC(=O)c1ccsc1 12917879 QBJPTFJEPICHAU-UHFFFAOYSA-N 421.950 3.076 0 40 HGAB CC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)N(C)[C@@H]2CCCc3ccccc32)cc1 12947826 NGUUGNWMCRHJHK-OAQYLSRUSA-N 414.527 3.046 0 40 HGAB O=C(Nc1ccc(Br)cc1F)c1ccc(CN2C(=O)CCC2=O)cc1 13007195 LEDJZIPLRJLNES-UHFFFAOYSA-N 405.223 3.490 0 40 HGAB CC(=O)Nc1ccc(-c2csc(NC(=O)[C@@H]3CS[C@]4(C)CCC(=O)N34)n2)cc1 13012149 YABXWDYBOZWIQU-HNAYVOBHSA-N 416.528 3.161 0 40 HGAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)O)cs2)cc1I 13300741 QPZVLHWEPMONPJ-UHFFFAOYSA-N 423.253 3.160 0 40 HGAB CCOc1ccc(CN(C)C(=O)c2ccc3c(c2)C[C@@H](C)N3S(C)(=O)=O)cc1 15525201 JBAUTZDTVJUIGI-OAHLLOKOSA-N 402.516 3.068 0 40 HGAB COC(=O)c1c(NS(=O)(=O)c2ccc(OC)c(OC)c2)sc2c1CCCC2 18154536 ZKLWHIPZQPCVJL-UHFFFAOYSA-N 411.501 3.232 0 40 HGAB Cc1ccccc1C1=NO[C@H](CC2(C(=O)NCCCn3ccnc3)CCOCC2)C1 19236965 HATZNPZWPDWHFH-IBGZPJMESA-N 410.518 3.078 0 40 HGAB CC(C)c1ccccc1OCC(=O)N1CCO[C@H](c2nc(-c3ccccn3)no2)C1 19453395 AVEDACTVUIWBRP-IBGZPJMESA-N 408.458 3.234 0 40 HGAB CCC(CC)C(=O)N1CCO[C@@](Cc2cccc(-c3cccnc3)c2)(C(=O)NC)C1 19500219 UWLABKMBBRVKKA-XMMPIXPASA-N 409.530 3.071 0 40 HGAB COc1ccc2c(c1)C[C@@H](C1CCOCC1)N(C(=O)CCc1cc(OC)no1)C2 19562458 IIXZKZHDCWVRAS-FQEVSTJZSA-N 400.475 3.005 0 40 HGAB Cc1cccc(OC2CCN(C(=O)COc3ccc(-n4nc(C)cc4C)nn3)CC2)c1 19665529 CLLFAUDNZQSQQE-UHFFFAOYSA-N 421.501 3.036 0 40 HGAB Cc1cccn2c(=O)c(C(=O)Nc3ccc4c(c3)nc(C(F)(F)F)n4C)cnc12 19714706 UJGHWKCAXBQMMD-UHFFFAOYSA-N 401.348 3.161 0 40 HGAB CC(=O)N1CCC[C@@H]1c1nc(CN(C)C(=O)c2cc3ccccc3o2)cc(N(C)C)n1 19759919 FKMKCGIFYZWXMK-GOSISDBHSA-N 421.501 3.244 0 40 HGAB CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1cc(S(=O)(=O)NC(C)C)ccc1OC 20037210 XJHZVMVUBJYEFR-LJQANCHMSA-N 420.531 3.486 0 40 HGAB C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@H]2NC(=O)CN1CCOCC1 20113521 DMLFUNWWXDIAEI-RADHVNICSA-N 418.622 3.207 0 40 HGAB biogenic COc1ccc(CCn2c3c(c(=O)[nH]c2=S)CN(C2CCCC2)CN3)cc1OC 20259063 OUDVVVFOFHIGAU-UHFFFAOYSA-N 416.547 3.293 0 40 HGAB CN1C(=O)c2ccc(NC(=O)C(C)(C)Oc3ccc(Br)cc3)cc2C1=O 21595319 BASSXRVGGYMDOW-UHFFFAOYSA-N 417.259 3.471 0 40 HGAB C[C@@H](OC(=O)c1ccc2c(c1)NC(=O)CS2)C(=O)N1CCSc2ccccc21 21852553 KTZJEPLKKHOUPI-GFCCVEGCSA-N 414.508 3.415 0 40 HGAB CCc1[nH]c(C(=O)NC[C@H](c2ccc(OC)cc2)N2CCCC2)c(C)c1C(=O)OC 23487092 OSJLVFINIDTHAH-LJQANCHMSA-N 413.518 3.248 0 40 HGAB Nc1nc(CN2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)nc2ccccc12 24776747 CMMBRFCYCZALFH-UHFFFAOYSA-N 416.312 3.477 0 40 HGAB O=C(Cc1csc2nc(-c3ccc(F)cc3)cn12)NCCc1nnc2ccccn12 26303789 JQIPIAXBQMXALB-UHFFFAOYSA-N 420.473 3.146 0 40 HGAB CCC(C)(C)n1nnnc1[C@H](c1ccccn1)N1CCN(c2cccc(OC)c2)CC1 26438901 RJNAZJPAHWELIT-NRFANRHFSA-N 421.549 3.133 0 40 HGAB Cc1cc(C)c2oc(C(=O)NC[C@@H](c3cccs3)N3CCOCC3)cc(=O)c2c1 28289053 RBTQKSISXFOWEA-KRWDZBQOSA-N 412.511 3.275 0 40 HGAB CCOc1ncccc1CNC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1 30309171 WYVZOUDJCMESOB-UHFFFAOYSA-N 401.422 3.211 0 40 HGAB CC(C)Oc1cccc(NC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)c1 30940448 PSRNDCLTQGXYMT-GOSISDBHSA-N 424.906 3.293 0 40 HGAB COc1cccc(NC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(C(C)(C)C)ccc3O2)c1 38834211 FWPBVFGUUNADRC-LJQANCHMSA-N 418.515 3.158 0 40 HGAB CSCC[C@H](NC(=O)c1ccco1)C(=O)Nc1cccc(OC[C@H]2CCCO2)c1 40062941 WZXPTQYEDAYFAM-MSOLQXFVSA-N 418.515 3.328 0 40 HGAB CSCC[C@@H](NC(=O)c1ccco1)C(=O)Nc1cccc(OC[C@H]2CCCO2)c1 40062943 WZXPTQYEDAYFAM-QZTJIDSGSA-N 418.515 3.328 0 40 HGAB C[C@@H]1CCCN(CCCCNC(=O)c2cccc(S(=O)(=O)NC3CCCC3)c2)C1 40112681 DPVQUCIAAAIFJO-GOSISDBHSA-N 421.607 3.149 0 40 HGAB C[C@H]1CN(c2ccc(NC(=O)CCS(=O)(=O)C3CCCC3)cc2F)C[C@@H](C)O1 40145492 PPLSMMCYPQCQAV-GASCZTMLSA-N 412.527 3.125 0 40 HGAB O=C(NCc1ccc(F)cc1)C1CCN(Cc2nc(Cc3ccccc3)no2)CC1 40154545 YDVUYZLNBJYKNW-UHFFFAOYSA-N 408.477 3.328 0 40 HGAB CC(=O)Nc1cccc(NC(=O)CSCc2nc3sc(C)cc3c(=O)[nH]2)c1 44920153 LCHAAOWHNUKFEG-UHFFFAOYSA-N 402.501 3.123 0 40 HGAB O=C(NCc1cccnc1-n1cncn1)Nc1cccc(COC[C@@H]2CCCCO2)c1 48288443 RYDUFBIPXCCPNJ-FQEVSTJZSA-N 422.489 3.070 0 40 HGAB Cn1ccc(C(=O)N(CCN2CCCC2)Cc2ccc(Cl)c(Cl)c2)cc1=O 58006805 FUCKDHACFBMCQD-UHFFFAOYSA-N 408.329 3.430 0 40 HGAB NS(=O)(=O)Cc1cccc(C(=O)Nc2ccc(SCc3cccnc3)cc2)c1 58172161 PEFOZAIRSJAXIM-UHFFFAOYSA-N 413.524 3.415 0 40 HGAB CC(=O)Nc1cc(-c2ccc(C)cc2)nn([C@H](C)C(=O)N2CCc3ccccc32)c1=O 64604939 GSCPLIPRBVNTDX-MRXNPFEDSA-N 416.481 3.327 0 40 HGAB COc1ccc(S(=O)(=O)N2C[C@@H](C(=O)Nc3ccccc3)Oc3ccccc32)cc1 64986225 APADISOAGURTGH-NRFANRHFSA-N 424.478 3.290 0 40 HGAB CCOc1ccccc1NC(=O)Cn1nnc(C(=O)Nc2ccccc2CC)c1C 71327293 BEKPLCGRTQRDOH-UHFFFAOYSA-N 407.474 3.439 0 40 HGAB CCOC(=O)c1ccccc1NC(=O)CN1C(=O)C(c2ccc(F)cc2)=NC1(C)C 71769020 YESHRJRIGQORQZ-UHFFFAOYSA-N 411.433 3.009 0 40 HGAB CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)OC(=O)c1cc(=O)c2c(C)nn(C)c2[nH]1 72312531 GPAJIFLDZGKZDF-GXTWGEPZSA-N 410.474 3.268 0 40 HGAB Cc1cc(C)n([C@H](C)CC(=O)N[C@@H]2C[C@@]3(CCC(=O)N(C)CC3)Oc3ccccc32)n1 72327784 IQXWRLJHNTVTPX-FPGHNAPASA-N 424.545 3.472 0 40 HGAB Nc1ncc(-c2cccc(F)c2)c([C@H]2CCCCN2CC(=O)Nc2nccs2)n1 72376868 WFGUHNFPMZVSEJ-MRXNPFEDSA-N 412.494 3.487 0 40 HGAB CCOC(=O)c1c(N2CCN(C[C@@H]3CCCCN3C)CC2)nc2ccccc2c1C 79014895 SYYHPRKTSXKEAU-IBGZPJMESA-N 410.562 3.326 0 40 HGAB C[C@@H]1CC(=O)N(Cc2ccccc2)c2ccccc2N1C(=O)[C@H]1CC(=O)N(C2CC2)C1 79025259 ZRNKRUIDIJTTNC-MJGOQNOKSA-N 417.509 3.356 0 40 HGAB Cc1n[nH]cc1CCCNC(=O)[C@@H](C)CNCc1ccc(OCc2ccncc2)cc1 95400401 FGGYGJMKMODPIH-SFHVURJKSA-N 421.545 3.167 0 40 HGAB Cc1cc(C(=O)Nc2ccccc2[C@@H](NC(=O)c2cc(C)nn2C)C(C)C)n(C)n1 95443742 RNQKCGGVVAWBCC-FQEVSTJZSA-N 408.506 3.150 0 40 HGAB COCCOc1cccc(C(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2CN(C)CCO2)c1 95451943 KBLYSQCYCYLNHD-NHCUHLMSSA-N 418.921 3.167 0 40 HGAB COc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC(=O)Cn1nc2c(cc1=O)CCCCC2 96231455 HZABAWMWYDMPQY-NRFANRHFSA-N 420.513 3.196 0 40 HGAB COc1ccc(Br)c(C(=O)NC[C@@H](OCCO)c2ccc(C)cc2)c1 96337866 VRQGQGMQOGRJNN-GOSISDBHSA-N 408.292 3.246 0 40 HGAB O=C(c1ccc(N2C(=O)[C@H]3CCCC[C@H]3C2=O)cc1)N1CCN(c2ccccc2)CC1 101160273 DANKINSQQMKQRS-SZPZYZBQSA-N 417.509 3.329 0 40 HGAB COc1cccc(C(=O)COC(=O)c2cccc(N3C(=O)[C@H]4CC=CC[C@H]4C3=O)c2)c1 102080942 KQAVIIFIVIXWQK-BGYRXZFFSA-N 419.433 3.191 0 40 HGAB O=C(COC(=O)c1cccc(O)c1)/N=c1/sccn1Cc1ccccc1Cl 103075974 WCWANMUVNZNROV-XUTLUUPISA-N 402.859 3.241 0 40 HGAB COC(=O)c1ccccc1NC(=O)c1cccc(S(=O)(=O)N2CCC(C)CC2)c1 219993954 PNRINJVEJDVENB-UHFFFAOYSA-N 416.499 3.146 0 40 HGAB CCOc1ccccc1CCCNC(=O)[C@H](C)N(c1cccc(F)c1)S(C)(=O)=O 220484044 MDGRXFBBXCJNSR-INIZCTEOSA-N 422.522 3.128 0 40 HGAB CCN(c1ccc(C(=O)NCCCc2ccc(OC)cc2)cc1)S(=O)(=O)CC 222400089 UQPUMZIPHONAMT-UHFFFAOYSA-N 404.532 3.234 0 40 HGAB CCc1ccc(N(CCCC(=O)NCCN(C)c2ccccc2)S(C)(=O)=O)cc1 222648153 OTLRIQVTYUSCGO-UHFFFAOYSA-N 417.575 3.048 0 40 HGAB CN(C)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(Br)cs1 223253900 VCMLZQUYVZIYFS-GJZGRUSLSA-N 411.394 3.440 0 40 HGAB COCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(OC)cc1)C(=O)C(C)C 223271678 RSOKCFKXHLMUGO-JOCHJYFZSA-N 412.530 3.054 0 40 HGAB Cc1ccc([C@H](C)NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)cc1 225534984 YZBCYKQWLQMVDA-FUHWJXTLSA-N 404.507 3.412 0 40 HGAB Cc1nc(N2CCN(C(=O)c3ccc(Br)o3)CC2)cc(C(F)(F)F)n1 225733560 JJEDPIAKUUCHCZ-UHFFFAOYSA-N 419.201 3.122 0 40 HGAB Cc1noc(-c2cccn3c(CNC(=O)c4ccc(Cl)c(Cl)c4)nnc23)n1 225748688 RGSAOFJLHYYETR-UHFFFAOYSA-N 403.229 3.325 0 40 HGAB O=C(c1cccc(Cl)c1Cl)N1CCC(n2c(=O)[nH]c3ccccc3c2=O)CC1 225759757 NNBWEMXJBSVSHI-UHFFFAOYSA-N 418.280 3.474 0 40 HGAB O=C(N[C@H]1C[C@H]2CC[C@H]1C2)C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1 250092131 WITQZSQDGPOCFB-QOKNQOGYSA-N 410.967 3.187 0 40 HGAB O=C(c1ccccc1OCCN1CCOCC1)N1CCC[C@H]1CCc1ccncc1 257202778 ANKIOMPYGHSMCI-NRFANRHFSA-N 409.530 3.030 0 40 HGAB CO[C@@H]1CN(CC(=O)Nc2nc(-c3ccc(F)cc3)c(C)s2)CC[C@@]12CCCO2 257238042 HJIXAHIEYIXQGH-UTKZUKDTSA-N 419.522 3.466 0 40 HGAB CO[C@H]1CC[C@H](C(=O)N2CCC(c3nnc(O)cc3-c3cc(C)no3)CC2)CC1 257297045 RFOAGEDKSRXYGO-WKILWMFISA-N 400.479 3.057 0 40 HGAB COc1ccccc1[C@@H](C)NC(=O)[C@H](C)N(c1cccc(Cl)c1)S(C)(=O)=O 260815425 XRVBNYXFDLMXSF-KGLIPLIRSA-N 410.923 3.381 0 40 HGAB COc1cc(OC(F)(F)F)ccc1CN1CCO[C@]2(CCCC[C@@H]2NC(C)=O)C1 306126219 DPUZVKWEINYENO-RBUKOAKNSA-N 416.440 3.244 0 40 HGAB Cc1nc(C(=O)N2CCC3(CC2)c2ccccc2N(CC2CC2)S3(=O)=O)cs1 306127890 GJZKGSWRVRONNW-UHFFFAOYSA-N 417.556 3.143 0 40 HGAB CCOc1ccc(C(=O)Nc2ccc(OC)c(OC)c2)cc1S(=O)(=O)NC(C)C 408701461 YHWJQGGMDYSTIP-UHFFFAOYSA-N 422.503 3.042 0 40 HGAB CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(O)c(Br)c2)C1=O 409013120 MNQGIOJYJSXSAB-OTIXFSKASA-N 400.250 3.143 0 40 HGAB CCCCNC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 409059605 QZYAKXIARPIQDS-UHFFFAOYSA-N 408.951 3.490 0 40 HGAB C[C@H]1CCCN(C(=O)CCC(=O)N2CCN(c3ccccn3)CC2)c2ccccc21 541739699 BTEQDZSMBFBXCF-IBGZPJMESA-N 406.530 3.441 0 40 HGAB COc1cc2c(cc1OC)[C@H](NC(=O)c1cc(=O)c(OCc3ccccc3)c[nH]1)CC2 604418714 ORPKBXPYFZZAAB-GOSISDBHSA-N 420.465 3.388 0 40 HGAB Cc1c(N2C[C@H](C)O[C@](C)(C(F)F)C2)ncnc1N1C[C@H](C)O[C@@](C)(C(F)F)C1 630094784 KVHDKGMUWFFJDQ-OGCKGYDTSA-N 420.451 3.283 0 40 HGAB CC(C)(O)[C@@H]1CC[C@](C)([C@@H]2CC3(CCN(C(=O)COc4ccccc4)CC3)CO2)O1 643250977 KJIYFDSEYVRBQJ-SXWKCWPCSA-N 417.546 3.172 0 40 HGAB Cc1cc(=O)c(O)c(C2(CC(=O)NC3C4CC5CC(C4)CC3C5)CCOCC2)o1 1547138903 HXBBTCWSIRAVRQ-UHFFFAOYSA-N 401.503 3.033 0 40 HGAB biogenic CCC[C@@H](O)[C@@H](CO)NC(=O)c1sc(NC(=O)c2ccccc2Cl)cc1C 1570210758 FZRSNQPMLCKYTO-HUUCEWRRSA-N 410.923 3.214 0 40 HGAB Cc1ccc(OCC2CCN(C(=O)[C@@H]3CC(=O)N(c4ccc(C)c(C)c4)C3)CC2)nn1 1775965951 MOPJQHPBSKCPNP-HXUWFJFHSA-N 422.529 3.072 0 40 HGAB O=C(CN1CCC[C@](O)(COc2ccccc2)CC1)Nc1ccnn1C1CCCC1 2037915922 BHGOBLSYJGWFEW-HSZRJFAPSA-N 412.534 3.233 0 40 HGAB Nc1cc(COC(=O)[C@H]2CCC(=O)N(c3cccc(F)c3)C2)nn1-c1ccccc1 2087113977 OYHRDBNVJHGKET-HNNXBMFYSA-N 408.433 3.080 0 40 HGAB COc1ccc(CNC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1 655633 ILEQOJVVNPMYME-UHFFFAOYSA-N 410.495 3.207 0 40 HGAB COc1cccc(OC)c1C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 804633 JICIDDPHXDPLKW-UHFFFAOYSA-N 404.488 3.131 0 40 HGAB Cc1ccc(-n2c(SCC(=O)Nc3nccs3)nc3c(c2=O)SCC3)cc1 2719763 QSHZHMOHJRVJFA-UHFFFAOYSA-N 416.553 3.376 0 40 HGAB aggregator C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(C(=O)Oc3ccc4c(c3)OCO4)c2)C1 3253581 VDCGYDDOQOVRPN-HUUCEWRRSA-N 417.483 3.301 0 40 HGAB O=C(CSc1nnc([C@H]2COc3ccccc3O2)n1-c1ccccc1)NC1CC1 3350806 WAJBEGCYNMFOEJ-GOSISDBHSA-N 408.483 3.151 0 40 HGAB Cc1ccc(CSc2nnc(NC(=O)Cn3cnc4ccccc4c3=O)s2)cc1 3405998 VFEAGGFATDCSRJ-UHFFFAOYSA-N 423.523 3.487 0 40 HGAB O=C(CSc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1)N1CCc2ccccc21 3444881 NDFWMPWWCFOHIG-KRWDZBQOSA-N 421.522 3.257 0 40 HGAB O=C(NCc1ccc(Cl)cc1Cl)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 3523401 OPGRNJUTMZROQQ-CYBMUJFWSA-N 421.280 3.434 0 40 HGAB CCOC(=O)COc1ccccc1/C=C1/NC(=O)N(c2cccc(Cl)c2)C1=O 3659102 BCZXFOYLVZCWDR-MHWRWJLKSA-N 400.818 3.379 0 40 HGAB Cc1ccc(NC(=O)CN2C(=O)N[C@@]3(CCCC[C@H]3C)C2=O)c(Br)c1 4515827 NNKAXVBVTIEUMU-KZULUSFZSA-N 408.296 3.197 0 40 HGAB C[C@H](Sc1nnc(-c2cccc(F)c2)n1N)C(=O)N[C@H](C)CCc1ccccc1 4876710 RJOMWWGCTFDWFH-CABCVRRESA-N 413.522 3.416 0 40 HGAB COc1ccc(CNC(=O)[C@@H](OC(=O)c2ccc(Cl)nc2)c2ccccn2)cc1 4924261 MWGANAYRFZSIFO-IBGZPJMESA-N 411.845 3.353 0 40 HGAB O=C(COC(=O)COc1ccc(C(=O)c2ccccc2)cc1)NCCc1ccccc1 4979407 KABZOXUTHFCMDS-UHFFFAOYSA-N 417.461 3.199 0 40 HGAB O=C(Cn1c(=O)n(Cc2ccco2)c(=O)c2ccccc21)Nc1ccccc1Cl 4999824 WLICPLMPIBJRGA-UHFFFAOYSA-N 409.829 3.097 0 40 HGAB Cc1ccc(NC(=O)NC(=O)CSc2nnc(Cc3ccccc3)n2C)c(C)c1 5430476 QDFWNRZLEJMBFS-UHFFFAOYSA-N 409.515 3.463 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)COc1ccccc1F 5455872 HTRYEPMDGLKVTO-UHFFFAOYSA-N 406.479 3.326 0 40 HGAB C[C@@H](O)c1ccc2c(c1)OCCOCCOc1ccccc1OCCOCCO2 5748294 CAUMTIVGIDFKDS-QGZVFWFLSA-N 404.459 3.002 0 40 HGAB COC(=O)c1[nH]c2ccc(C)cc2c1NS(=O)(=O)c1ccc(OC)c(OC)c1 5790748 CWZAUFQFYQRMJU-UHFFFAOYSA-N 404.444 3.081 0 40 HGAB C[C@H](Sc1nnc(-c2cccnc2)n1N)C(=O)Nc1cccc(Cl)c1Cl 5860608 DDSAAKWVJTUDSM-VIFPVBQESA-N 409.302 3.480 0 40 HGAB O=C1CN(C(=O)COC(=O)/C=C/c2cccc(C(F)(F)F)c2)c2ccccc2N1 6344995 QJIBGOZYZXHEIM-CMDGGOBGSA-N 404.344 3.247 0 40 HGAB Cc1ccc(-n2cnnc2SCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1Cl 6589672 IBSMQTQCMBARDY-UHFFFAOYSA-N 414.878 3.130 0 40 HGAB CCc1ccc(NC(=O)Cn2c(=O)n(Cc3ccco3)c(=O)c3sccc32)cc1 6678707 DCQJYUVGUKKUKC-UHFFFAOYSA-N 409.467 3.067 0 40 HGAB COC(=O)[C@H](C)NC(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccc(F)cc1 6759528 KZVHCGZVCXANCQ-RBZFPXEDSA-N 416.449 3.062 0 40 HGAB Cc1cc(C)cc(OCC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1 6825762 HLLRJDCATDZHQQ-UHFFFAOYSA-N 402.516 3.496 0 40 HGAB Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)cc1C(=O)N1CCCCC1 7360394 FUEICTSQOOXQAA-UHFFFAOYSA-N 416.499 3.193 0 40 HGAB CN(C(=O)CSc1nnnn1C1CC1)[C@@]1(c2ccccc2Cl)CCCCC1=O 8312165 IFKQEQQIPHCFBJ-LJQANCHMSA-N 419.938 3.251 0 40 HGAB COc1cc([C@H]2CC(=O)Nc3nc(C)[nH]c(=O)c32)ccc1OCc1ccc(F)cc1 8768089 JUFPRLFJKZTFPB-MRXNPFEDSA-N 409.417 3.279 0 40 HGAB COc1cc(CN2C(=O)N=C(O)[C@@]3(Cc4cc(C)ccc4N(C)C3)C2=O)cc(OC)c1 9015662 JYGSBUIYZPBTFI-QHCPKHFHSA-N 423.469 3.110 0 40 HGAB Cc1nn2c(=O)[nH]c(SCC(=O)Nc3ccc(F)cc3)nc2c1-c1ccccc1 9107450 KQVHSFLKGHHTCF-UHFFFAOYSA-N 409.446 3.263 0 40 HGAB COCc1cc(C(C)=O)ccc1OCc1cc(=O)n2cc(Br)ccc2n1 9442351 CIICZGKVJBMMGS-UHFFFAOYSA-N 417.259 3.385 0 40 HGAB CCc1ccccc1Nc1nc(N)nc(COC(=O)c2ccc(-n3cccn3)cc2)n1 9613969 GVWWSPXCRCCBHW-UHFFFAOYSA-N 415.457 3.303 0 40 HGAB Cc1cc(C)n2nc(SCC(=O)Nc3ccccc3C(=O)NC3CCCC3)nc2n1 9725944 YEHMWLVYQXCWCT-UHFFFAOYSA-N 424.530 3.144 0 40 HGAB COc1cn(CC(=O)Nc2cccc(F)c2)c(CSc2nccc(C)n2)cc1=O 10254975 SDBNQEJXQFWFOD-UHFFFAOYSA-N 414.462 3.025 0 40 HGAB COc1ccc(N([C@H](C)C(=O)N[C@@H](C)c2ccccc2)S(C)(=O)=O)cc1Cl 10332273 DJXNUGBVTGQMMH-UONOGXRCSA-N 410.923 3.381 0 40 HGAB O=C(NC1CC1)[C@@H](OC(=O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1)c1ccccc1 11063014 MRNKWIAVPIMVFF-NQIIRXRSSA-N 424.472 3.241 0 40 HGAB COc1cc(NC(=O)Cc2ccc(N3CCCC3=O)cc2)ccc1N1CCCC1=O 12076911 ZTQLYTCGASEGLT-UHFFFAOYSA-N 407.470 3.130 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)CC2)cc1 12568471 CSJBUNARHZZTMZ-TWOQFEAHSA-N 408.564 3.037 0 40 HGAB CSc1cccc(NC(=O)c2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)c1 12731268 GZSGDSQKTOZYGU-INIZCTEOSA-N 406.529 3.118 0 40 HGAB O=C(CN1C(=O)C(=O)N(Cc2cccs2)C1=O)Nc1ccc(-c2ccccc2)cc1 12879825 FLNONPVKVUWNDD-UHFFFAOYSA-N 419.462 3.345 0 40 HGAB COc1cccc(NC(=O)NCC(=O)N(C)Cc2ccccc2Br)c1 12930376 WTNDODXTTRQWOW-UHFFFAOYSA-N 406.280 3.238 0 40 HGAB O=C(Nc1nc2c(s1)CCC2)[C@@H]1CC(=O)N(c2ccccc2Br)C1 12975478 MDXUXTXIDAWWQE-SNVBAGLBSA-N 406.305 3.386 0 40 HGAB Cc1ccc(-c2ccc(=O)n(CCCNC(=O)COc3ccc(F)cc3F)n2)cc1 13801083 FIIQCSBHPDYDLL-UHFFFAOYSA-N 413.424 3.082 0 40 HGAB COc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)COc1ccc(C)cc1 14291363 PLOLDYVCDCUOOU-UHFFFAOYSA-N 409.471 3.496 0 40 HGAB COC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)c2cc(F)c(F)cc2Cl)cc1 14513230 CZEXQDQSTTVUHO-SNVBAGLBSA-N 418.849 3.184 0 40 HGAB CN(Cc1ccccc1N1CCOCC1)S(=O)(=O)c1ccc(C(F)(F)F)cc1 15360320 QJHMZVHSGAXJLK-UHFFFAOYSA-N 414.449 3.363 0 40 HGAB Cc1nn(-c2cccc(Cl)c2)nc1C(=O)NCc1ccc(N2CCCC2=O)cc1 16105273 BITYBLJBTMITAB-UHFFFAOYSA-N 409.877 3.286 0 40 HGAB CC(C)n1cc(C(=O)NC2CCN(Cc3cc(-c4ccccc4F)nn3C)CC2)cn1 19454968 WCPWFWBPFGVMPO-UHFFFAOYSA-N 424.524 3.398 0 40 HGAB CCn1nc(C(=O)NCCNc2cc(C)nc3ccccc23)c2ccccc2c1=O 19660857 FIWFTKQZJCCBGB-UHFFFAOYSA-N 401.470 3.115 0 40 HGAB COc1cccc(CC[C@H]2CCCCN2C(=O)c2ccnc(N3CCN(C)CC3)c2)c1 19662593 IPZXJOSJUUNGMT-JOCHJYFZSA-N 422.573 3.470 0 40 HGAB Cc1nc([C@@H]2CCCN2c2ncccn2)nc2c1CCC(=O)N2CCc1ccccc1 19740788 CIGDTJPKQOZJDH-FQEVSTJZSA-N 414.513 3.438 0 40 HGAB CCN(CC(=O)NCc1ccc(F)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl 20014734 HKTFISXQQZKAMO-UHFFFAOYSA-N 419.305 3.460 0 40 HGAB CC[C@@H](NS(=O)(=O)c1ccc(OC)c(C(=O)NC(C)C)c1)c1ccc(OC)cc1 20461660 PKTPHVFHYMPXFI-LJQANCHMSA-N 420.531 3.272 0 40 HGAB CC[C@@H](NC(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O)c1ccc(OC)cc1 20483609 GSSJFHCQGYIWDQ-GOSISDBHSA-N 420.531 3.046 0 40 HGAB COC(=O)[C@H](CCSC)NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccccc1Cl 20725558 SVJDYRSDTMPDNG-RDJZCZTQSA-N 422.938 3.015 0 40 HGAB Cc1cc(C)n(CCCNC(=O)[C@H](NC(=O)C23CC4CC(CC(C4)C2)C3)C(C)C)n1 20918723 DDCHSFCSWDWTAG-PJVWNMJMSA-N 414.594 3.363 0 40 HGAB C[C@@]1(c2ccc3c(c2)OCCO3)NC(=O)N(Cc2ncc(-c3ccc(F)cc3)o2)C1=O 22240501 WYMHAXMPBITMMT-QFIPXVFZSA-N 423.400 3.219 0 40 HGAB CCC1CCC2(CC1)NC(=O)N(CN1CCN(Cc3ccc(Cl)s3)CC1)C2=O 22932298 VJYORHJBQAJTHO-UHFFFAOYSA-N 424.998 3.367 0 40 HGAB CCOc1ccc(-c2noc(CS(=O)(=O)c3cc(OC)ccc3OC)n2)cc1 23126293 NHNXVYVOXCCFJY-UHFFFAOYSA-N 404.444 3.126 0 40 HGAB Cc1ccc(-n2ncc3c(C)nnc(SCC(=O)NC[C@@H]4CCCO4)c32)cc1C 23137755 HWMAGVVLWMPDGS-KRWDZBQOSA-N 411.531 3.128 0 40 HGAB CSCC[C@H]1NC(=O)N(CN2CCc3sccc3[C@@H]2c2cccs2)C1=O 23846650 LFHAOFCCCYHKFQ-CZUORRHYSA-N 407.586 3.388 0 40 HGAB COC(=O)c1cccc2c1CCCN2C(=O)C[C@H](NC(C)=O)c1ccc(OC)cc1 25194168 JUOFUQZNIZURLD-FQEVSTJZSA-N 410.470 3.029 0 40 HGAB CC(C)=C[C@H]1[C@@H](C(=O)N2CCCN(S(=O)(=O)c3ccc(C)cc3)CC2)C1(C)C 25917959 OPNLNGKTVGYHEN-PMACEKPBSA-N 404.576 3.456 0 40 HGAB COc1cccc(C(=O)NCc2nnc(S)n2-c2ccc(Br)cc2)c1 27528256 UOIXRNPUCUAQFQ-UHFFFAOYSA-N 419.304 3.257 0 40 HGAB O=C(c1ccc(F)cc1)N1CCC(C(=O)N2CCC[C@@H]2c2nnc3ccccn23)CC1 29072997 LOJSEHRBMFRLBB-LJQANCHMSA-N 421.476 3.084 0 40 HGAB Cc1ccc(C)c(N2N=C(C(=O)NC[C@H](c3cccc(F)c3)N(C)C)CCC2=O)c1 29836349 GILUQNBVMIYLIE-OAQYLSRUSA-N 410.493 3.344 0 40 HGAB O=C(/C=C/c1ccc(N2CCCS2(=O)=O)cc1)Nc1ccc2c(c1)OCCCO2 30623888 CWEFYMWCFPXMLL-BJMVGYQFSA-N 414.483 3.040 0 40 HGAB Cc1c(C)c2ccc(OCC(=O)Nc3nnc([C@@H]4CCCO4)s3)cc2oc1=O 31813684 CFTRYXJYDYLWCA-AWEZNQCLSA-N 401.444 3.130 0 40 HGAB Cc1cc(NC(=O)[C@@H](NC2CCN(C(=O)c3ccco3)CC2)c2ccccc2)no1 32899562 UIZSKLILYKGWOI-FQEVSTJZSA-N 408.458 3.150 0 40 HGAB Cc1ccccc1[C@H](OC[C@H](O)CN1C(=O)N[C@](C)(C2CC2)C1=O)c1ccccc1 35287189 XSNWZOVAXKKCKE-ZILOHOTNSA-N 408.498 3.182 0 40 HGAB CC[C@H](C)[C@H](NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccccc1Cl)C(=O)OC 36580072 WAIWNQSLJFUOKC-IWEFOYFVSA-N 404.898 3.308 0 40 HGAB O=C1CCCN1C[C@H](NS(=O)(=O)c1cccs1)c1cccc(C(F)(F)F)c1 40105682 BNPKCYDUOCAKKS-AWEZNQCLSA-N 418.462 3.409 0 40 HGAB Cc1nn2c(=O)cc(CSc3nnc(-c4ccccc4F)n3C3CC3)nc2s1 40119280 YRXMGIZAHBQVDL-UHFFFAOYSA-N 414.491 3.484 0 40 HGAB CCCS(=O)(=O)N1CCC[C@@H](C(=O)NC(c2ccccc2)c2ccccc2)C1 40128697 NUCOYXDAYKRIMI-HXUWFJFHSA-N 400.544 3.344 0 40 HGAB Cc1cc(C)nc(Nc2nc(CC(=O)N3CCN(C4CCCCC4)CC3)cs2)n1 49029503 WHAWVEMUYKPYSR-UHFFFAOYSA-N 414.579 3.313 0 40 HGAB O=C1Nc2ncccc2O[C@H]1CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1 63110732 HEQVOSRDANSIJE-KRWDZBQOSA-N 407.301 3.300 0 40 HGAB COc1cc2c(cc1OC)[C@@H]1c3ccccc3N(CC(=O)NC(C)C)C(=O)N1CC2 72342063 KLVARTJBBBGADF-QFIPXVFZSA-N 409.486 3.116 0 40 HGAB CC(C)CNC(=O)c1cc([C@H]2CN(C(=O)c3ccccn3)CCO2)nc2ccccc12 72352687 HUJPZIOUSPEGME-JOCHJYFZSA-N 418.497 3.229 0 40 HGAB Cc1nn(C(C)C)c(C)c1S(=O)(=O)Nc1n[nH]c(C)c1-c1ccc2c(c1)OCO2 95466379 BYQOJFSRSKTBRM-UHFFFAOYSA-N 417.491 3.309 0 40 HGAB COc1cccc(NC(=O)[C@H]2c3c(ncn3C(C)C)CCN2C(=O)c2cccnc2)c1 96147272 QUARDYXSBHPEDB-OAQYLSRUSA-N 419.485 3.246 0 40 HGAB COc1cccc([C@H](CNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)OC)c1 96390359 GGFZSIXFWNDLHK-INIZCTEOSA-N 405.394 3.260 0 40 HGAB CO[C@H]1CC[C@H](C(=O)N[C@@H](Cc2cc(O)n3nc(C)cc3n2)c2ccccc2)CC1 100220788 ZHPMMBMVJDMATG-SXLOBPIMSA-N 408.502 3.349 0 40 HGAB CC[C@@H](C(=O)NCCOc1ccc(C)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O 219107040 XWFMTEGJVZVZFL-IBGZPJMESA-N 424.950 3.388 0 40 HGAB COC(=O)c1cn(C(=O)[C@H](C)N(c2ccc(C)cc2)S(C)(=O)=O)c2ccccc12 222591618 JWRQPZZIECVAHR-HNNXBMFYSA-N 414.483 3.231 0 40 HGAB CCS(=O)(=O)N(C)c1ccc(C(=O)NCc2cccc(C(F)(F)F)c2)cc1 222968307 DFULWMMRRJHMIE-UHFFFAOYSA-N 400.422 3.421 0 40 HGAB COc1cccc(CCCNS(=O)(=O)c2cc(Br)ccc2OC)c1 223575831 MHKPWBGSYDBDLV-UHFFFAOYSA-N 414.321 3.377 0 40 HGAB CCCSc1nnc(NC(=O)[C@H](CC)N(c2ccccc2)S(C)(=O)=O)s1 224136232 RYUIJUVUFUXPQX-ZDUSSCGKSA-N 414.578 3.224 0 40 HGAB Cc1cccc(N([C@@H](C)C(=O)NCCOc2ccc(C)c(Cl)c2)S(C)(=O)=O)c1 224173940 XGKHJHQHVWESQO-INIZCTEOSA-N 424.950 3.307 0 40 HGAB CCOC(=O)CN(c1cccc(OCC)c1)S(=O)(=O)c1ccc(OCC)cc1 224604976 KTHKWEKWKKCGJZ-UHFFFAOYSA-N 407.488 3.242 0 40 HGAB CCOC(=O)C1CCN(C(=O)CCc2ncc(-c3ccc(OC)cc3OC)o2)CC1 224870580 PMJYEDWWFGVYOP-UHFFFAOYSA-N 416.474 3.093 0 40 HGAB O=C(Nc1nnc(S(=O)(=O)NC2CCCCC2)s1)c1ccc(Cl)cc1 225560192 IMDVFZNOJFTTHC-UHFFFAOYSA-N 400.913 3.055 0 40 HGAB O=C(NC1CCN(c2ncnc3c2CCCC3)CC1)c1cc(-c2ccc(F)cc2)n[nH]1 225736949 CRTVDVWUSONZLA-UHFFFAOYSA-N 420.492 3.283 0 40 HGAB COc1ccc(NC(=O)C2(C)COC(c3ccc(OC4CSC4)cc3)OC2)cn1 225922137 VRBWZVWBNJVKTN-UHFFFAOYSA-N 416.499 3.275 0 40 HGAB CN(CC(=O)N1CCOc2ccccc21)S(=O)(=O)c1cc(Cl)ccc1Cl 226035976 PTSGYAOCCOILLK-UHFFFAOYSA-N 415.298 3.040 0 40 HGAB Cc1nc([C@H]2CCCN(C(=O)C3CCCCC3)C2)nc(C)c1CC(=O)NC(C)C 257211353 BYORDQFGTUEBPI-IBGZPJMESA-N 400.567 3.447 0 40 HGAB NC(=O)C[C@]1(COc2ccc(F)cc2)CCCN(C(=O)CCc2ccccc2F)C1 257255524 KHVCVJCPHIRJPK-HSZRJFAPSA-N 416.468 3.461 0 40 HGAB CCc1onc(C)c1-c1cccc([C@H]2CN(C(=O)c3cn(CC)nc3C)CCO2)n1 257262461 LLLSMHYLSIIUDT-HXUWFJFHSA-N 409.490 3.346 0 40 HGAB COc1cccc(Cc2cc(C)nc([C@H]3CN(C(=O)c4ccc(N)nc4)CCO3)c2)c1 257301373 RYFMXEVGKQCLIA-JOCHJYFZSA-N 418.497 3.180 0 40 HGAB Cc1cc(-c2cnn(C)c2)cc([C@@H]2CN(C(=O)CCOc3ccccc3C)CCO2)n1 257305165 SOSDUOYYIZIRIE-QHCPKHFHSA-N 420.513 3.468 0 40 HGAB Cc1n[nH]c(C)c1CNC(=O)[C@@]1(C)CCCN(C(=O)Cn2c(C)cc3ccccc32)C1 257334257 YFEJTAQYNOKMIB-DEOSSOPVSA-N 421.545 3.235 0 40 HGAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)NCCC2=CCCCC2)cc1Cl 408592977 LGVMBCNULBMGPZ-CQSZACIVSA-N 414.955 3.412 0 40 HGAB COc1ccc(N([C@@H](C)C(=O)Nc2ccc(OC(C)C)cc2)S(C)(=O)=O)cc1 408617728 IWPVTIHPDOEPQG-HNNXBMFYSA-N 406.504 3.276 0 40 HGAB Cc1cc(C)c(C)c([C@H]2c3c(n(C)c(=O)n(C)c3=O)N=C3c4ccccc4C(=O)[C@@H]32)c1 408733438 JGGJSPHOYSXGJJ-RTBURBONSA-N 413.477 3.088 0 40 HGAB Cc1cc(C)cc(NC(=O)CSc2nnc(CNC(=O)Cc3ccccc3)n2C)c1 409158803 PDSGXBOFGDJGJE-UHFFFAOYSA-N 423.542 3.022 0 40 HGAB COc1ccc(CNC(=O)CN2C(=O)S/C(=C\c3ccccc3OC)C2=O)cc1 409217884 XYZCPVHEWMBVJM-WQRHYEAKSA-N 412.467 3.057 0 40 HGAB O=S(=O)(CCCn1c(O)nc2ccccc21)Cc1cc2c(cc1Cl)OCCO2 572281214 LEIFVACUACQSDZ-UHFFFAOYSA-N 422.890 3.172 0 40 HGAB O=C1CCC(=O)N1c1ccc(S(=O)(=O)NCc2ccc(-c3cccs3)o2)cc1 575608125 IPEAMYUSWRTZKW-UHFFFAOYSA-N 416.480 3.140 0 40 HGAB Cc1cc(NC(=O)N[C@H]2COc3ccc(F)cc3C2)ccc1-n1nnnc1C(C)C 580305314 XGBNHBYZGMBRTL-QGZVFWFLSA-N 410.453 3.358 0 40 HGAB CC(C)c1nccc(C[C@@H]2[C@@H](CO)[C@H](O)C[C@H]2NCc2ccc(C(F)(F)F)cc2)n1 604382407 RCGPYODJRPVXQZ-UAFMIMERSA-N 423.479 3.309 0 40 HGAB biogenic,in-vitro Cc1ccc(C(=O)N2CCc3nc(C(=O)NCc4ccccc4)sc3CC2)cn1 1147161831 CQAMVXRKUQWUQE-UHFFFAOYSA-N 406.511 3.018 0 40 HGAB O=S(=O)(NC[C@H](O)c1ccc(-c2ccsc2)s1)c1cccc2nsnc12 1775972013 SEIBEIPRERJOSL-LBPRGKRZSA-N 423.566 3.493 0 40 HGAB O=C(c1cccc(-n2cccn2)c1)N1CC[C@@H](Oc2ccncc2Br)C1 1775972469 HOEKOACNUGRZHA-MRXNPFEDSA-N 413.275 3.323 0 40 HGAB Cc1cn2nc(OCC3CCN(C(=O)c4cc(-c5cccnc5)on4)CC3)ccc2n1 1888921777 VTTMUUZTYOYMDP-UHFFFAOYSA-N 418.457 3.019 0 40 HGAB CC(C)CS(=O)(=O)N1CCC(c2ccc3cc(-c4cncnc4)cnc3n2)CC1 1888999960 LBJCUPQLPTUIBD-UHFFFAOYSA-N 411.531 3.252 0 40 HGAB O=C1COc2ccccc2CCCCO[C@H]2CN(Cc3ccc(Cl)cc3)C[C@@H]2N1 2037980990 PNEYAUUMCWKIIT-UNMCSNQZSA-N 414.933 3.441 0 40 HGAB CC(C)(C)OC(=O)[C@H]1[C@@H](c2ccccc2)[C@@H](C(=O)OC(C)(C)C)C(=O)C[C@@]1(C)O 1019465 QVFPDSCSUILPAI-VOLVWJTLSA-N 404.503 3.410 0 40 HGAB CCOC(=O)c1cc(NC(=O)c2cccs2)ccc1OC[C@@H](O)CNC(C)(C)C 2019973 PHMRLCQEIQGCHH-HNNXBMFYSA-N 420.531 3.305 0 40 HGAB investigational O=C(CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)NCc1cccs1 3435544 WCIVSXQGOJGCKL-UHFFFAOYSA-N 412.842 3.015 0 40 HGAB Cn1ccnc1SCc1cc(=O)c(OC(=O)/C=C/c2ccc3c(c2)OCO3)co1 4251368 WIUWHGJLGWSUGI-HWKANZROSA-N 412.423 3.013 0 40 HGAB C[C@@H](Sc1nnc(COc2ccccc2)n1C)C(=O)Nc1ccc2c(c1)OCO2 4816341 PZDZLOODTQADRJ-CYBMUJFWSA-N 412.471 3.242 0 40 HGAB COCCN(C(=O)c1csnn1)[C@H](C(=O)NC1CCCC1)c1ccc(Cl)cc1 4890301 HAZZYTFFWHTRPQ-KRWDZBQOSA-N 422.938 3.080 0 40 HGAB CCn1c(SCC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)nnc1-c1ccco1 5168152 SGJOJOXZIUGPHR-ZDUSSCGKSA-N 411.487 3.414 0 40 HGAB COc1ccc(-n2ccnc2S[C@@H](C)C(=O)NCc2ccc3c(c2)OCO3)cc1 5262952 KIJMHJRUDZOYHI-AWEZNQCLSA-N 411.483 3.407 0 40 HGAB O=C(Cn1nc(-c2ccc(Br)cc2)ccc1=O)Nc1ccc(F)cc1 5398026 LDVULROZBYKWOO-UHFFFAOYSA-N 402.223 3.451 0 40 HGAB Cc1cc(Br)ccc1NC(=O)CNC(=O)Cn1c(C)nc2ccccc21 5627626 XSNCWCNSWQMHGZ-UHFFFAOYSA-N 415.291 3.171 0 40 HGAB CC(C)Cn1c(SCC(=O)Nc2sccc2C(N)=O)nnc1-c1ccco1 5937653 UZNHFZBZRLDKBA-UHFFFAOYSA-N 405.505 3.085 0 40 HGAB O=C(NC[C@H](c1ccco1)N1CCCC1)c1cccc(I)c1 6432405 BOLBYCBNPRKGAN-OAHLLOKOSA-N 410.255 3.451 0 40 HGAB Cc1nc2scc(C)n2c(=O)c1S(=O)(=O)N1CCC(Cc2ccccc2)CC1 6823844 CNTOQZUFFPEJRO-UHFFFAOYSA-N 417.556 3.016 0 40 HGAB COc1ccc(C(=O)OCc2cc(=O)n3c4c(sc3n2)CCCC4)cc1OC 7130866 SUEJBGRPQBIIFQ-UHFFFAOYSA-N 400.456 3.009 0 40 HGAB CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1 7309503 CXWURSXMOFPXQV-SFHVURJKSA-N 417.483 3.160 0 40 HGAB CC(C)n1nccc1NC(=O)[C@@H](C)OC(=O)CNC(=O)c1ccc(C(C)(C)C)cc1 7801427 DDMWVDLUDWXZPA-OAHLLOKOSA-N 414.506 3.062 0 40 HGAB O=S(=O)(c1ccc(SCc2cc(-c3ccccc3)on2)nc1)N1CCOCC1 8361858 UPEXNWCVHWHQPB-UHFFFAOYSA-N 417.512 3.050 0 40 HGAB O=c1cc(CSc2nnc(N3CCCC3)n2-c2cccc(Cl)c2)occ1O 8705337 GCEOAIDFRKVHNO-UHFFFAOYSA-N 404.879 3.472 0 40 HGAB Cc1ccc(NC(=O)c2cccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)c2)c(C)c1 8852966 GBXLLDBUIIUJSE-IRXDYDNUSA-N 402.516 3.354 0 40 HGAB CC(C)CCNc1sc(S(C)(=O)=O)nc1S(=O)(=O)c1ccc(Cl)cc1 8912361 LLUPOCSOXKMCSK-UHFFFAOYSA-N 422.981 3.491 0 40 HGAB O=C(Nn1cnc2c(cnn2-c2cccc(Cl)c2)c1=O)c1ccccc1Cl 11665747 LXZJSJURWVEWOA-UHFFFAOYSA-N 400.225 3.273 0 40 HGAB COc1ccc2c(C)c(CCC(=O)N[C@H](Cc3ccccc3)C(=O)O)c(=O)oc2c1C 11865649 HBIBEMCAVWJGOB-LJQANCHMSA-N 423.465 3.163 0 40 HGAB biogenic CCN(CC)C(=O)c1cnc(C)nc1-c1ccc(CNC(=O)c2ccccn2)cc1 12232253 YEQNJJBYSUNNIP-UHFFFAOYSA-N 403.486 3.259 0 40 HGAB CC(=O)Nc1ccc(OCC(=O)N2CCC[C@H](c3nn(C)c4ncccc34)C2)cc1C 12253780 QMHASQYYSGSLJM-KRWDZBQOSA-N 421.501 3.020 0 40 HGAB CC(C)N(CCNC(=O)C1CCC(C(=O)NCCN(C(C)C)C(C)C)CC1)C(C)C 12763676 CLAIFUSYFTYUNJ-UHFFFAOYSA-N 424.674 3.263 0 40 HGAB O=C(NCc1ccco1)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 12862249 WVZHIUXENUBOPN-UHFFFAOYSA-N 416.421 3.016 0 40 HGAB CN(Cc1nc2ccccc2c(=O)[nH]1)Cc1nc2scc(-c3ccco3)c2c(=O)[nH]1 12884835 HBKGLJCUJDPMQA-UHFFFAOYSA-N 419.466 3.113 0 40 HGAB O=C(Nc1ccccc1O)c1cccc(S(=O)(=O)N2CCc3sccc3C2)c1 12972875 MBLYNMYFEZRCTE-UHFFFAOYSA-N 414.508 3.453 0 40 HGAB COc1ccc(CC(=O)N(C)[C@@H](C)c2ccc(-n3cncn3)cc2)c(OC)c1OC 13008616 WAXGKBDKXFKBGV-HNNXBMFYSA-N 410.474 3.055 0 40 HGAB CCS(=O)(=O)c1ccc2oc(SCC(=O)NCCc3ccc(F)cc3)nc2c1 13132973 HUXQKCQEUUTJMN-UHFFFAOYSA-N 422.503 3.212 0 40 HGAB O=C(Cn1c(=O)n(Cc2ccco2)c(=O)c2sccc21)Nc1ccc(Cl)cc1 13533004 UMSLIHSEKVIEDE-UHFFFAOYSA-N 415.858 3.158 0 40 HGAB Cc1cc(=O)n2ncc(C(=O)N3C[C@@H]4C5c6ccccc6C(c6ccccc65)[C@H]4C3)c2[nH]1 13566636 PCBUXHUMZDJTSD-CQNRZJDLSA-N 422.488 3.310 0 40 HGAB COc1ccccc1CCNC(=O)[C@@H]1CCCN(C(=O)Cc2c[nH]c3ccccc23)C1 13689692 HPYRSDQHDZNHIE-LJQANCHMSA-N 419.525 3.317 0 40 HGAB COc1ccc(S(=O)(=O)Nc2c(C)nn(Cc3ccccc3)c2C)cc1OC 14223468 PIZUWTKJOLPBFB-UHFFFAOYSA-N 401.488 3.366 0 40 HGAB CC(=O)Nc1ccc(S(=O)(=O)Nc2cnn(Cc3c(F)cccc3Cl)c2)cc1 14235993 LJSKCQSKHUKNQW-UHFFFAOYSA-N 422.869 3.483 0 40 HGAB CCOc1cc(/C=N/n2c(C)nnc2S)ccc1OCC(=O)N(C(C)C)C(C)C 15513303 OJFGZXLAAPKDNT-SRZZPIQSSA-N 419.551 3.180 0 40 HGAB CS(=O)(=O)Cc1cccc(C(=O)NCc2ccc(CN3CCCCC3)cc2)c1 16507935 FBITZCDKKWFXSD-UHFFFAOYSA-N 400.544 3.147 0 40 HGAB COC(=O)c1ccc(NC(=O)Cn2c(C)nc3c(sc4ccccc43)c2=O)cc1 16841900 SKWAAWCKYZNVPM-UHFFFAOYSA-N 407.451 3.345 0 40 HGAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(C)c3)c(=O)n2[C@H]1c1cccs1 17094057 FZTWRHMZDUZTFG-WPNIOXTASA-N 424.547 3.168 0 40 HGAB O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)NCCc1ccccc1 17357442 QCWCYDUKNDANQL-UHFFFAOYSA-N 400.544 3.153 0 40 HGAB c1ccc([C@@H](c2nnnn2Cc2ccco2)N2CCN(c3ccccc3)CC2)cc1 19369666 ONWFWHSYLVBKNI-QFIPXVFZSA-N 400.486 3.226 0 40 HGAB C[C@H](NC(=O)CN(c1nccs1)S(=O)(=O)c1ccccc1)c1cccs1 19425025 BAVZUOYSYOEGJP-ZDUSSCGKSA-N 407.542 3.277 0 40 HGAB CC[C@H](C)C(=O)N1CCc2cc([C@H](O)CN3CCCN(c4ccccn4)CC3)ccc21 19499897 ZJHLLYIYFSJPRX-WMZHIEFXSA-N 422.573 3.263 0 40 HGAB COc1ccc(CN2C(=O)Cc3c(C)nc([C@@H]4CCCN(C(=O)C(C)C)C4)nc32)cc1 19744539 TWFMXABLTIMWIQ-GOSISDBHSA-N 422.529 3.245 0 40 HGAB CCN(CC(=O)Nc1ccccc1F)S(=O)(=O)c1ccc(OC)c(Cl)c1 19930127 XHHHWWHFKQGXJH-UHFFFAOYSA-N 400.859 3.137 0 40 HGAB COc1ccc2[nH]c3c(c2c1)CN(C(=O)CCC(=O)NCCc1cccs1)CC3 20760595 IAKBKGWMKZUHAD-UHFFFAOYSA-N 411.527 3.262 0 40 HGAB biogenic Cc1ccc2c(c1)[C@H](NC(=O)CN(c1ccccc1F)S(C)(=O)=O)CC(C)(C)O2 22335358 ZPQUEXNPGQEVPG-QGZVFWFLSA-N 420.506 3.319 0 40 HGAB Cn1c(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nnc1-c1ccc(=O)n(C)c1 23136418 XNARIGWDUBFATI-UHFFFAOYSA-N 424.313 3.218 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(NC(=O)C2CCOCC2)c1 23270677 ORSZHAHGGWRTRB-UHFFFAOYSA-N 423.579 3.073 0 40 HGAB CCOc1ccc(CCNC(=O)COC(=O)c2ccnc(Cl)c2)cc1OCC 25859971 QUDVMXOBWSIKCX-UHFFFAOYSA-N 406.866 3.048 0 40 HGAB O=C(/C=C/c1cnn(-c2ccccc2)c1)N1CCN(C(=O)c2ccccc2F)CC1 27830498 IKSFPKZDIRPBMH-ZHACJKMWSA-N 404.445 3.009 0 40 HGAB COC(=O)c1ccccc1NC(=O)CCc1nc(-c2ccc(OC)c(OC)c2)no1 29470085 RFOMDVXOQCCPSD-UHFFFAOYSA-N 411.414 3.112 0 40 HGAB O=C(NCCCN1CCc2ccccc2C1)[C@H]1CC(=O)N(c2ccccc2Cl)C1 29838250 MRHBRWOVQMYAAB-IBGZPJMESA-N 411.933 3.258 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)c2cc3cc(F)ccc3[nH]2)c1 32760008 KFOUMZSIGSYPNJ-UHFFFAOYSA-N 405.451 3.295 0 40 HGAB Cc1cc(=O)c(C(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)nn1-c1ccccc1Cl 32772930 BBSTVUNKRDGXTP-LBPRGKRZSA-N 424.844 3.166 0 40 HGAB Cc1cccc(OCCCNC(=O)c2ccccc2S[C@@H]2CCS(=O)(=O)C2)c1 32837007 CMTIKZSBYYELIV-GOSISDBHSA-N 419.568 3.473 0 40 HGAB CC(=O)N[C@@H](C(=O)Nc1ccc(C)c(S(=O)(=O)Nc2ccccc2F)c1)C(C)C 33029143 BEZXBCWQFGPGDL-LJQANCHMSA-N 421.494 3.034 0 40 HGAB COc1ccc(S(=O)(=O)N(CC(=O)NCC(C)C)C2CCCCC2)cc1Cl 33728831 MABRSDZEFVGFOW-UHFFFAOYSA-N 416.971 3.444 0 40 HGAB O=C(Oc1ccccc1Br)C1=C(c2ccccc2)S(=O)(=O)CCO1 36358651 DBKWMKKLLIALPP-UHFFFAOYSA-N 409.257 3.168 0 40 HGAB COc1ccc(-c2cc(C(=O)N[C@@H](C)Cn3nc(C)cc3C)c3cnn(C)c3n2)cc1 36613407 YEIMLRFVBAUVAO-HNNXBMFYSA-N 418.501 3.276 0 40 HGAB O=C(Nc1nnc(C(c2ccccc2)c2ccccc2)s1)c1nc2ncccn2n1 36752472 NKAPSCIQCKWCQF-UHFFFAOYSA-N 413.466 3.408 0 40 HGAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)C2CCN(Cc3cccc(C)c3)CC2)c1 39766657 HJLHJAVLWCEFIV-UHFFFAOYSA-N 424.497 3.419 0 40 HGAB CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)c(Cl)c1 44903302 IYMHZGZKINZJEM-UHFFFAOYSA-N 422.890 3.444 0 40 HGAB COC(=O)C1=C(C)N(C[C@H]2CCCO2)C(=O)N[C@H]1c1csc(Br)c1 45712468 CADQLFMYOYECIQ-RISCZKNCSA-N 415.309 3.203 0 40 HGAB COc1ccc(NC(=O)[C@@H](C)NC(=O)c2ccoc2)cc1NC(=O)OC(C)(C)C 48261667 YVAQAUGTPOBYBN-GFCCVEGCSA-N 403.435 3.392 0 40 HGAB O=C(NCc1nc(-c2ccccc2)no1)C1CCN(C(=O)Nc2cccs2)CC1 49028394 NBPICAMBHFMYID-UHFFFAOYSA-N 411.487 3.358 0 40 HGAB COc1cccc(CC(=O)N(Cc2ccc3c(c2)CCO3)C2CCN(C(C)=O)CC2)c1 58344116 CSRBZTCEFDJCKZ-UHFFFAOYSA-N 422.525 3.212 0 40 HGAB Cc1ccc(C)c(NC(=O)CN2C(=O)N[C@@H](c3cc(C)ccc3C)C3=C2COC3=O)c1 67288802 TYAMKEWRHNRJIE-QFIPXVFZSA-N 419.481 3.436 0 40 HGAB O=C(CN1CCC[C@H]1c1cc(CCOc2ccccc2Cl)[nH]n1)N1CCCC1 72378313 LESLYNRPVDTUDW-IBGZPJMESA-N 402.926 3.444 0 40 HGAB C[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)[C@H]2CCCC[C@@H]21 78648248 AEFSRUBFMVGIRF-PLWAMTLXSA-N 420.575 3.185 0 40 HGAB C[C@H](NCc1cnn([C@@]2(C)CCS(=O)(=O)C2)c1)c1ccccc1Br 79108808 HYNKILQJRBXKIG-GUYCJALGSA-N 412.353 3.030 0 40 HGAB CC(C)S(=O)(=O)c1ccc(C(=O)N(Cc2ccccc2)C[C@H](C)C(=O)O)cc1 95424403 YTXHJXKMSCZKBG-INIZCTEOSA-N 403.500 3.232 0 40 HGAB O=C(Cc1ccc2ccccc2c1)N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 96005261 ZENRSGBYSYMQGS-NRFANRHFSA-N 400.544 3.235 0 40 HGAB Cc1cc(C)c(S(=O)(=O)Nc2cccc(Cn3cccn3)c2)c(C)c1CC(=O)O 96007265 IZLQZKUVHPWGRU-UHFFFAOYSA-N 413.499 3.285 0 40 HGAB CC(C)NC(=O)C[C@@H]1CC2(CCN(C(=O)c3cccn3C)CC2)Oc2ccccc21 96079968 WAIBLYRTPLQOTK-GOSISDBHSA-N 409.530 3.481 0 40 HGAB CCN1C[C@]2(CC1=O)CN(Cc1ccc(C)o1)CCN(C(=O)Nc1ccccc1)C2 97952814 WMFFMACBERUSKN-QHCPKHFHSA-N 410.518 3.176 0 40 HGAB CC/C(NCc1cc(OC)cc(OC)c1)=C1/C(=O)NC(=O)N(c2ccc(C)cc2)C1=O 101064861 AQFXABMYTOSWGD-FMQUCBEESA-N 423.469 3.049 0 40 HGAB COc1cc([C@H]2CC(=O)NC3=C2C(=O)OC3(C)C)ccc1OCc1c(C)noc1C 101720572 SJXSIVLETWXDNH-CQSZACIVSA-N 412.442 3.072 0 40 HGAB C[C@H](C(=O)NCc1ccc(Cl)cc1)N(c1ccc(F)c(F)c1)S(C)(=O)=O 113958168 AJAZQQVJZXNSDN-LLVKDONJSA-N 402.850 3.089 0 40 HGAB OCCN1CCC(CO)(c2cccc(Nc3ncc(-c4ccccc4)s3)n2)CC1 143115776 JVDHJXANUQUVPF-UHFFFAOYSA-N 410.543 3.267 0 40 HGAB CC[C@@H](C(=O)NCCCc1cccc(C)c1)N(c1cccc(OC)c1)S(C)(=O)=O 220627634 PXEAWFRGXPEFGS-NRFANRHFSA-N 418.559 3.297 0 40 HGAB C[C@H](C(=O)NCc1cccnc1)N(Cc1ccccc1)C(=O)COc1ccccc1 222775047 RULNXEYMCWBWCG-LJQANCHMSA-N 403.482 3.194 0 40 HGAB Cc1ccc(S(=O)(=O)N(C)Cc2ncc(C(=O)Nc3cccc(C)c3C)cn2)cc1 223381556 IUPGJOPBAQTKSB-UHFFFAOYSA-N 424.526 3.475 0 40 HGAB Cc1cccc(N(CC(=O)NCCOc2ccc3ccccc3c2)S(C)(=O)=O)c1 223590790 VRHFIJWKCIYWJQ-UHFFFAOYSA-N 412.511 3.109 0 40 HGAB Cc1cc(C)cc(OCCNC(=O)[C@@H](C)N(c2cc(C)cc(C)c2)S(C)(=O)=O)c1 224071496 NDPZQMMEFNFCFP-LJQANCHMSA-N 418.559 3.270 0 40 HGAB COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc[nH]2)cc1 225205654 YGHJYWGMAMYKMO-WOJBJXKFSA-N 407.499 3.172 0 40 HGAB CCCOc1ccccc1CCCNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 225422874 LRHCJDOTBVOJFU-UHFFFAOYSA-N 404.532 3.088 0 40 HGAB COc1ccc(NC(=O)[C@@]2(C)CCN(c3c(C)cccc3C)S2(=O)=O)c(OC)c1 225947197 GGUCOXSRAOLJQX-OAQYLSRUSA-N 418.515 3.258 0 40 HGAB CC1(C)Oc2c(O)cccc2[C@H]2O[C@H]3CCN(C(=O)CCCc4cn[nH]c4)[C@H]3C[C@@H]21 257228389 FTPWOSKURIMAJM-MEZWHVQBSA-N 411.502 3.356 0 40 HGAB COc1ccccc1-c1cc(C(=O)N2[C@@H]3CN(C(C)=O)[C@@H]4CCCC[C@H]2[C@]4(C)C3)[nH]n1 257232920 GMYWNIKZIONJHQ-JNTAVDMJSA-N 422.529 3.479 0 40 HGAB Cc1cc(C)cc(N(CCCC(=O)NCCCN2CCC[C@H](C)C2)S(C)(=O)=O)c1 260772830 WVSMOCUNTQZXTM-SFHVURJKSA-N 423.623 3.088 0 40 HGAB COc1cccc(NC(=O)COc2ccc(S(=O)(=O)N3CCCCCC3)cc2)c1 408622106 MMYMVBJQBJZSJZ-UHFFFAOYSA-N 418.515 3.277 0 40 HGAB CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(s/c(=C\c3ccccc3C)c2=O)=N1 409034717 IEACAEXHQNIATG-LUDQZLGDSA-N 418.518 3.107 0 40 HGAB COCCCN1C(=O)S/C(=C/c2cc(Br)c(O)c(OC)c2)C1=O 409240568 GYJQQSXNHKWCNR-XYOKQWHBSA-N 402.266 3.236 0 40 HGAB NC(=O)N[C@H](CC(=O)N(CCc1ccccc1)Cc1cccnc1)c1ccccc1 524276780 KYKQVSAXYMMINB-JOCHJYFZSA-N 402.498 3.453 0 40 HGAB CC(C)(Cc1ccccc1)NC(=O)CN1CCC(O)(COc2ccc(F)cc2)CC1 585274668 YEYBSXAJHMXACK-UHFFFAOYSA-N 414.521 3.169 0 40 HGAB Cc1cc(C)nc(Nc2ccc([C@H]3CCCN(C(=O)/C=C/c4ccnn4C)C3)nc2)n1 585291369 BOXBVVFDKQYFRP-KOEDOTQGSA-N 417.517 3.385 0 40 HGAB CC(C)(C)N1C[C@@H](NC(=O)CCn2ccc3ccc(Br)cc32)CC1=O 1565524539 KFWZFGSTSLCUQH-HNNXBMFYSA-N 406.324 3.310 0 40 HGAB COc1ccc(F)c(CN2CC[C@H](O)[C@H](O)COCCCCOc3ccccc32)c1 1615160480 PMKMNCOTNSMGNU-FCHUYYIVSA-N 419.493 3.142 0 40 HGAB CC1=C[C@H]2C=C(C)[C@@H](C)[C@H]3[C@H](CC(C)C)NC(=O)[C@]23C(=O)CC[C@H](O)C(=O)CC1 2048392521 GBCXTRJHTIEBIA-LCGRRLDLSA-N 401.547 3.365 0 40 HGAB COC(=O)[C@@H]1[C@@H](c2ccc(Br)cc2)[N@]1S(=O)(=O)c1ccc(C)cc1 2049251817 VRNANQYWHOYGEU-GJYPPUQNSA-N 410.289 3.045 0 40 HGAB CS(=O)(=O)N1CCN(c2ccc(NC(=O)c3ccc4ccccc4c3)cc2)CC1 725014 IAJKCEUJIZADFJ-UHFFFAOYSA-N 409.511 3.174 0 40 HGAB CCNC(=O)NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1 3534873 OGSCBGJEZMUTAG-UHFFFAOYSA-N 419.894 3.178 0 40 HGAB O=C(CCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)N1CCN(c2ccccc2)CC1 4764004 KEJGHOOGYLYELI-UHFFFAOYSA-N 422.554 3.145 0 40 HGAB C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)NCCc1ccc(Cl)cc1Cl)C2=O 5854831 OYPWSPAFWOVWQP-CWTRNNRKSA-N 412.317 3.153 0 40 HGAB CCOc1ccccc1OCC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1C 6285956 OWAGQKDVNVLMRH-UHFFFAOYSA-N 420.531 3.442 0 40 HGAB O=C(NCc1ccncc1)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 6347031 AXIKRTCXOYNJBC-UHFFFAOYSA-N 401.875 3.466 0 40 HGAB CCn1c(CC(=O)Nc2ccc(C)cc2)nnc1SCC(=O)NC1CCCCC1 6356539 XHYGYBCZROGMDT-UHFFFAOYSA-N 415.563 3.329 0 40 HGAB Cc1ccc(C)c(NC(=O)CSc2nnc(CC(=O)Nc3ccccc3)n2C)c1 6473078 VZTUPAYDAXPPIJ-UHFFFAOYSA-N 409.515 3.344 0 40 HGAB CCOC(=O)N1CCN(C(=O)[C@H](NC(=O)c2ccc(C(C)(C)C)cc2)C(C)C)CC1 6510199 WRWYKJZCDAHUPD-LJQANCHMSA-N 417.550 3.039 0 40 HGAB CCN(C)S(=O)(=O)c1csc(C(=O)Nc2ccc(Br)cc2)c1 6680376 UUYALNHOXGFXCL-UHFFFAOYSA-N 403.323 3.403 0 40 HGAB O=C(NCc1cccc(Cl)c1)c1ccc(Cn2nnc3ccccc3c2=O)cc1 6918899 BQJKKHBAPYSGJJ-UHFFFAOYSA-N 404.857 3.423 0 40 HGAB COc1ccc(Cl)cc1N1C[C@H](C(=O)OCC(=O)Nc2cccc(C)c2)CC1=O 7537114 QDXWKQGXDFOWGM-CQSZACIVSA-N 416.861 3.192 0 40 HGAB COc1ccccc1CC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCCCC2)c1 7718106 VEXFMVFCBCXETA-UHFFFAOYSA-N 402.516 3.359 0 40 HGAB C[C@H](NC(=O)CSc1nnnn1-c1ccc(O)cc1)c1ccc2c(c1)CCCC2 7834055 UCQNNBXEFALWEU-AWEZNQCLSA-N 409.515 3.216 0 40 HGAB Cc1ccc(C(=O)NCCSCc2ccco2)cc1S(=O)(=O)N1CCCC1 7881100 TWVJDNQQEQXWBB-UHFFFAOYSA-N 408.545 3.036 0 40 HGAB Cc1cc(Br)ccc1NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 8285914 RVKSDJIMFLFAGJ-UHFFFAOYSA-N 403.685 3.311 0 40 HGAB O=C(CCCNC(=O)N1CC(O)=Nc2ccccc21)NCCc1c[nH]c2ccccc12 8769757 DUMPOWFXKQNVHY-UHFFFAOYSA-N 419.485 3.425 0 40 HGAB biogenic COc1ccc(F)cc1S(=O)(=O)N1CCC(C(=O)Nc2cccc(C)c2C)CC1 10302892 RYDHHUFODQQQEZ-UHFFFAOYSA-N 420.506 3.491 0 40 HGAB Cc1ccc(Cl)cc1N([C@@H](C)C(=O)NCCSC(C)(C)C)S(C)(=O)=O 10357070 GMNYJLNAMSGPOO-ZDUSSCGKSA-N 407.001 3.451 0 40 HGAB COc1ccc2cc(COC(=O)Cc3n[nH]c(=O)c4ccccc34)c(Cl)nc2c1 10914974 VSVOQVVDVUBWGX-UHFFFAOYSA-N 409.829 3.419 0 40 HGAB O=C(CCN1C(=O)CCC1=O)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1 11637718 FHKOVGBKDDNUTM-UHFFFAOYSA-N 411.405 3.230 0 40 HGAB O=C(CSc1ncnc2c1nnn2-c1ccc(F)cc1)N1CCCc2ccccc21 11758599 FSKKFMHRCKFXFQ-UHFFFAOYSA-N 420.473 3.421 0 40 HGAB O=C(CSCC(=O)N1CCN(c2cccc(Cl)c2)CC1)Nc1ccccc1F 12554196 DIIWNUSSEPAUNU-UHFFFAOYSA-N 421.925 3.500 0 40 HGAB O=C(NCC(=O)N1CCC(C(=O)c2ccccc2)CC1)c1ccc(OC(F)F)cc1 12767768 QJZHPKLRLOIEBB-UHFFFAOYSA-N 416.424 3.139 0 40 HGAB C[C@H]1C[C@H](C)CN(Cc2csc(NC(=O)CNC(=O)c3ccc(F)cc3)n2)C1 12783538 GTMFEWMMAKUFHE-KBPBESRZSA-N 404.511 3.129 0 40 HGAB O=C(CCn1c(=O)oc2cc(Cl)ccc21)NC1CCN(Cc2ccccc2)CC1 12870949 VLMSGSSIZGTBBG-UHFFFAOYSA-N 413.905 3.419 0 40 HGAB O=C(CCNC(=O)c1ccsc1)Nc1cccc(I)c1 12919418 ZPWKTBOLNFDNDV-UHFFFAOYSA-N 400.241 3.111 0 40 HGAB CN1N=C(C(=O)Nc2ncc(Cc3ccc(Br)cc3)s2)CCC1=O 12999590 LRYQJIYZTHGHPA-UHFFFAOYSA-N 407.293 3.043 0 40 HGAB COc1ccc([C@@H]2NC(=O)N(C)[C@](O)(C(F)(F)F)[C@@H]2C(=O)c2ccccc2)cc1 13109396 NNPDITMUQOSOIH-TXPKVOOTSA-N 408.376 3.141 0 40 HGAB CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NC3CCCC3)C2)cc1Cl 13843144 FRXJNAVCSXNUIG-AWEZNQCLSA-N 414.955 3.198 0 40 HGAB CC(=O)Nc1ccc(C(=O)Nc2nnc([C@@H]3CC(=O)N(c4ccccc4)C3)s2)cc1 13944313 PWNPBLJBOFTKOW-OAHLLOKOSA-N 421.482 3.269 0 40 HGAB Cc1c(Cl)ccc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@@H]2CCCN21 16001843 OIQLTZDNZIKXLG-DDOIHHOZSA-N 421.884 3.080 0 40 HGAB CCOc1cc(C(=O)NN2C(=O)NC3(CCCCC3)C2=O)ccc1OCC(C)C 17114185 LQZPBXIJVKFUGK-UHFFFAOYSA-N 403.479 3.020 0 40 HGAB CC(=O)c1ccc(O[C@@H](C)C(=O)N2CCCN(C)c3nc4ccccc4nc32)cc1 17364507 PYJBXNLFPKEZLT-INIZCTEOSA-N 404.470 3.473 0 40 HGAB NC1=Nc2nc3ccccc3n2[C@H](c2cn(-c3ccccc3)nc2-c2cccnc2)N1 18053622 IMXHTSDKXZCHFQ-OAQYLSRUSA-N 406.453 3.380 0 40 HGAB CCn1nc(C(C)C)cc1C(=O)N1CCN([C@@H](c2ccccc2)c2nccn2C)CC1 19524123 IHILUSQPNHQBJV-QFIPXVFZSA-N 420.561 3.307 0 40 HGAB COc1ccc(-c2ncc(CN3C[C@@H]4[C@@H](CC[C@@]4(O)c4ccccn4)C3)cn2)cc1 19558593 JCZAJFYRKHXDKR-LEEZEASISA-N 402.498 3.277 0 40 HGAB COc1cccc(-c2cnc(N(C)C)nc2[C@H]2CCCN2C(=O)c2cnn(C)c2C)c1 19689441 PXFAGEUWKBFMGJ-HXUWFJFHSA-N 420.517 3.237 0 40 HGAB COc1ccc([C@@H](C)NC(=O)CCc2ccc(S(=O)(=O)NCC(C)C)cc2)cc1 20023511 ZAEQVBPIDWLBST-QGZVFWFLSA-N 418.559 3.440 0 40 HGAB CCc1nc(COC(=O)c2cccc(S(=O)(=O)NCc3ccco3)c2)cs1 22740624 YGSXSMSJHBISOJ-UHFFFAOYSA-N 406.485 3.134 0 40 HGAB COc1ccc([C@@H](CNC(=O)Nc2ccc(Cl)cc2)N2CCN(C)CC2)cc1 22794033 CNKLTMHYMOLFTA-HXUWFJFHSA-N 402.926 3.459 0 40 HGAB CC[C@@H](OC[C@@H](O)CN1CCN(Cc2ccc3c(c2)OCO3)CC1)c1ccccc1 22870658 BURKISBUYAVOCA-FCHUYYIVSA-N 412.530 3.062 0 40 HGAB CCCCCNC(=O)c1ccc(NC(=O)C[C@@H]2SC(N3CCCC3)=NC2=O)cc1 23078798 LLJJEJWYPHYJTO-KRWDZBQOSA-N 416.547 3.029 0 40 HGAB O=S(=O)(c1cccc(Cl)c1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 25620871 AQZDJDJHWKWCJS-UHFFFAOYSA-N 405.829 3.265 0 40 HGAB CN([C@H]1CCCc2ccccc21)S(=O)(=O)c1ccc(S(=O)(=O)C(F)F)cc1 26759031 LAWFYCPYSYVQEG-KRWDZBQOSA-N 415.483 3.381 0 40 HGAB CCOC(=O)Nc1cccc(OCc2nnc3n(CC)c(=O)c4ccccc4n23)c1 26777351 GAGINBQLQXYFNM-UHFFFAOYSA-N 407.430 3.212 0 40 HGAB COc1ccccc1[C@H](C)NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 31692401 QZKKBYJIWCALOG-KRWDZBQOSA-N 416.543 3.114 0 40 HGAB CC(=O)Nc1cccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2)c1 32093146 CKZZPQFZKSSGRT-CYBMUJFWSA-N 416.275 3.399 0 40 HGAB CCOC(=O)COc1cccc(NS(=O)(=O)c2ccccc2Br)c1 32095552 MOIWIVGIUVQZOX-UHFFFAOYSA-N 414.277 3.192 0 40 HGAB CCCN(Cc1nnc(-c2ccco2)o1)C(=O)C1=NN(c2ccccc2)C(=O)CC1 32983417 AXAUROSFDGNJMC-UHFFFAOYSA-N 407.430 3.251 0 40 HGAB Cc1ccc([C@H]2C[C@H](c3ccccc3)N3NC(NC(=O)CCCC(=O)O)=NC3=N2)cc1 34118484 QFBRPESVYFHLCU-RTBURBONSA-N 419.485 3.084 0 40 HGAB CC1CCN(C(=O)Cn2c(SCC(=O)N3CCCC3)nc3ccccc32)CC1 35312096 DUEKMHSEGQPQKZ-UHFFFAOYSA-N 400.548 3.009 0 40 HGAB Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O 40142587 GRMFNTITPJDBRH-KRWDZBQOSA-N 402.516 3.354 0 40 HGAB COc1ccc2c(c1)CCCN2C(=O)[C@H]1CCCCN1S(=O)(=O)c1ccccc1 45594058 WIWJZFQJYHUHRT-OAQYLSRUSA-N 414.527 3.218 0 40 HGAB CCc1ccc(-c2nn(CC)c(=O)c3c2CCCC3)cc1S(=O)(=O)N(CC)CC 46027731 SONVEFPMIBMPFH-UHFFFAOYSA-N 417.575 3.402 0 40 HGAB Cc1cc(NC(=O)CN2CCN(c3ccc(O)cc3)CC2)ccc1Br 57363929 ADGXFOKVURCIDL-UHFFFAOYSA-N 404.308 3.224 0 40 HGAB CCCCn1c(=O)[nH]c(=O)c2c1nc(CN(C)Cc1c(F)cccc1Cl)n2CC 57688604 RANSUJHGXYCSPR-UHFFFAOYSA-N 421.904 3.131 0 40 HGAB C[C@H](C(=O)N[C@H]1CCOc2ccccc21)N1CCN(c2cc(F)cc(F)c2)CC1 69570438 PJLDBPBEMHAASZ-QRWLVFNGSA-N 401.457 3.115 0 40 HGAB CCOc1ccc(NC(=O)Cn2nnc(C(=O)Nc3cc(F)ccc3C)c2C)cc1 71327392 BHLJBWAPYYFJEU-UHFFFAOYSA-N 411.437 3.324 0 40 HGAB Cc1nc(C2CCN(CCCc3ccccc3)CC2)ncc1C(=O)N1CCOCC1 72345602 LCPPRDGHXFJXAM-UHFFFAOYSA-N 408.546 3.070 0 40 HGAB Cc1ccc(Nc2nccc([C@H]3CCCN(C(=O)Cc4c(C)noc4C)C3)n2)nc1 72378072 VIBNMZHQJANMMR-KRWDZBQOSA-N 406.490 3.477 0 40 HGAB Cc1cc(C)nc(N[C@H](C)C(=O)N2CCN(c3ccccc3C(F)(F)F)CC2)n1 72399262 ALMAPOVXWJPNKX-OAHLLOKOSA-N 407.440 3.261 0 40 HGAB O=C(/C=C/c1cccnc1)NC1CCN(c2ccc(-c3cccc(F)c3)nn2)CC1 90591673 DSXPAQGUDZEAMI-RMKNXTFCSA-N 403.461 3.476 0 40 HGAB O=C(NCCc1cccnc1)c1ccc2nnc3ncn(Cc4ccccc4)c3c2c1 96146571 KAVOQDHZWUCTIN-UHFFFAOYSA-N 408.465 3.395 0 40 HGAB CCC1=NC2(CCC(C(=O)N3CCN(c4ccccc4)CC3)CC2)C(=O)N1CC1CC1 96261382 JFDLSWMHLPWREU-UHFFFAOYSA-N 422.573 3.325 0 40 HGAB O=S(=O)(Nc1nc2ccc(Br)cn2n1)c1ccc2c(c1)CCCC2 97164865 BJJAMXFYBIQORD-UHFFFAOYSA-N 407.293 3.171 0 40 HGAB CCN1C[C@@]2(CC1=O)CN(Cc1ccc(F)cc1)CCN(C(=O)Nc1ccccc1)C2 97952817 QRHTXASPLSSFCJ-XMMPIXPASA-N 424.520 3.414 0 40 HGAB COc1ccc(CN(C)C(=O)C23C[C@@H]4C[C@H](CC(NC(C)=O)(C4)C2)C3)cc1OC 102812559 KHMVFCBDGOKWGW-FFACFXHASA-N 400.519 3.137 0 40 HGAB CCn1ccnc1CN1CCN(CCC(=O)Nc2ccccc2SC)C[C@H]1C 106909019 GSOHWYJYLXPOSS-QGZVFWFLSA-N 401.580 3.160 0 40 HGAB CS(=O)(=O)N(CCCC(=O)NCc1ccc(Cl)cc1)c1ccc(F)c(F)c1 113966299 VPSBJOLMAGJYAF-UHFFFAOYSA-N 416.877 3.481 0 40 HGAB Cc1cc(C)cc(N(CCCC(=O)NCCCOC2CCCC2)S(C)(=O)=O)c1 222632900 TYLHFICNHLQNJU-UHFFFAOYSA-N 410.580 3.315 0 40 HGAB COc1ccc(S(=O)(=O)NCC2CCCCC2)cc1C(=O)N1CCC(C)CC1 224165746 CHMFQFLPSWEEMD-UHFFFAOYSA-N 408.564 3.426 0 40 HGAB Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NCCCOC(C)C)cc2)cc1 224425454 WTCNDBWQEFGJTR-UHFFFAOYSA-N 418.559 3.361 0 40 HGAB COc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(Br)cc2)cc1C 224636843 CLQVBUGYCXDUPP-UHFFFAOYSA-N 414.277 3.046 0 40 HGAB Cc1ccc(-c2nnc(NC(=O)c3ccccc3N(C)S(C)(=O)=O)s2)cc1 225052275 BNEOPNGNABDRFU-UHFFFAOYSA-N 402.501 3.162 0 40 HGAB CCn1c(=O)sc2cc(S(=O)(=O)NCCSC3CCCCC3)ccc21 225689712 VTDFHCUJVTUMJJ-UHFFFAOYSA-N 400.591 3.427 0 40 HGAB COc1ccc(F)cc1S(=O)(=O)N1CC[C@H](Oc2cc(C(F)(F)F)ccn2)C1 225736360 RZVHZAABTXSSPN-ZDUSSCGKSA-N 420.384 3.090 0 40 HGAB COc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)N(C)c1ccc(C)c(C)c1 226066336 UJAUOJVVEUTWJL-UHFFFAOYSA-N 410.923 3.249 0 40 HGAB COc1ccc(C)cc1S(=O)(=O)N1CCC(C(=O)N(C)c2ccccc2)CC1 226081497 CVOPVYFBMKYMBM-UHFFFAOYSA-N 402.516 3.067 0 40 HGAB Cc1cc(Nc2nc(C)c(C)s2)cc([C@@H]2CCN(C(=O)Cc3nonc3C)C2)n1 257340221 ZFCQQCKIFWXNCK-OAHLLOKOSA-N 412.519 3.457 0 40 HGAB CC(C)NC(=O)NC[C@H]1N(C(=O)CCc2ccccc2)CCCC12CCN(C)CC2 306124550 BTMCKRXJDHJJMT-OAQYLSRUSA-N 414.594 3.030 0 40 HGAB COc1cc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)ccc1OCC(=O)O 409007821 SGODIOUSUCZUSY-PDGQHHTCSA-N 413.451 3.438 0 40 HGAB CCn1c(CNC(=O)c2ccccc2)nnc1SCC(=O)N[C@@H]1CCCC[C@@H]1C 409154745 PSZFDYAJNAQIKS-DOTOQJQBSA-N 415.563 3.015 0 40 HGAB CCOC(=O)COc1ccc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)cc1OCC 409221690 UVXVJRUUENDMBL-LDADJPATSA-N 424.453 3.120 0 40 HGAB Cc1nc(Nc2nnc(C)s2)cc([C@@H]2CCCN2C(=O)/C=C/c2ccccc2)n1 585292737 SCFPZVFATIXKHW-ZGKFYVQTSA-N 406.515 4.065 0 40 HGAB COc1ccc(CN(CC(=O)NCC(=O)Nc2cccc(Cl)c2C)C2CC2)cc1 7662344 OFRVJVUGWAPOTQ-UHFFFAOYSA-N 415.921 3.376 0 40 HGAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C)cc3)c(=O)n2[C@H]1c1ccccc1 2314803 ZSUUDOCVKDRNIP-PHJXOXRPSA-N 418.518 3.107 0 40 HGAB CCCCN1C(=O)[C@](O)(CC(=O)c2ccncc2)c2cc(Br)ccc21 2493100 ZBWUGLSKZKMPMV-IBGZPJMESA-N 403.276 3.451 0 40 HGAB CC(C)C[C@@H](NC(=O)/C(=C/c1ccc(Cl)cc1)NC(=O)c1ccco1)C(=O)O 2950039 NLVPAYPOXXOVKH-UVQBRAAOSA-N 404.850 3.319 0 40 HGAB c1ccc(N=P(c2nc3ccccc3o2)(N2CCOCC2)N2CCOCC2)cc1 4144513 HUHBEADEJROHJC-UHFFFAOYSA-N 412.430 3.480 0 40 HGAB Cc1cccc(OCc2nnc(SCC(=O)Nc3ccc4c(c3)OCO4)n2C)c1 4187805 QYNGOXYZVPRWOC-UHFFFAOYSA-N 412.471 3.162 0 40 HGAB CC(C)c1cccc(NS(=O)(=O)c2ccc(N3C[C@H](C(=O)O)CC3=O)cc2)c1 32083454 ICZQSCYHRFHZMP-OAHLLOKOSA-N 402.472 3.048 0 40 HGAB Cc1cc(NC(=O)CCN2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)c(C)cc1Br 4545664 OVBNRQXQFWOFMS-GGNLRSJOSA-N 417.303 3.202 0 40 HGAB Cc1ccc(N(CC(=O)NC2CCCC2)C(=O)CNC(=O)c2cccs2)cc1C 4875767 KIPCFLCCMDLMSS-UHFFFAOYSA-N 413.543 3.187 0 40 HGAB CC(=O)Nc1ccc2c([C@@H](C(=O)O)N3CCN(Cc4cccs4)CC3)c[nH]c2c1 32100995 JMOGKWYWHLJJKL-FQEVSTJZSA-N 412.515 3.131 0 40 HGAB COc1ccc(F)cc1S(=O)(=O)N1CCC(C(=O)Nc2cccc(C)c2)CC1 10302881 URRXTGSUQQOPMR-UHFFFAOYSA-N 406.479 3.182 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCC3=C[C@@H]4C[C@H](CN5CCCC[C@H]45)[C@@H]32)cc1 101646143 OEHFYGYYYQJAMU-MCEIDBOGSA-N 402.560 3.279 0 40 HGAB CCn1cc(C(=O)N2CCC(NS(=O)(=O)c3cccs3)CC2)c2ccccc21 32865730 GJNUJHGXQGAVHC-UHFFFAOYSA-N 417.556 3.306 0 40 HGAB CC(C)c1ccc(N2CCN(C(=O)c3ccccc3NC(=O)/C=C\C(=O)O)CC2)cc1 33349876 QXSXRVWPDIXKLT-QXMHVHEDSA-N 421.497 3.352 0 40 HGAB CCCNS(=O)(=O)c1ccc(OCC(=O)Nc2cc(F)ccc2C)c(Cl)c1 20022977 AYTVUTPMZIOAOY-UHFFFAOYSA-N 414.886 3.493 0 40 HGAB C[C@@H](c1nc(=O)c2ccccc2[nH]1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 23825133 LSICVTOCQUGVII-ZDUSSCGKSA-N 403.408 3.220 0 40 HGAB Cc1ccc([C@@H](CNc2cnn(-c3ccccc3)c(=O)c2Cl)N2CCOCC2)o1 24529010 ZSTIFJMFZHCOIC-GOSISDBHSA-N 414.893 3.273 0 40 HGAB CC(=O)N1CCc2nc3cc([C@H]4CCCCN4Cc4ccccc4)nn3c(O)c2C1 100242861 GBSAIHGRRDQLHN-OAQYLSRUSA-N 405.502 3.067 0 40 HGAB CCOc1cc([C@H]2NC(=O)c3ccccc3N2)cc(Cl)c1OCC(=O)N(C)C 12537351 ZBYRKJFAUFGLSP-LJQANCHMSA-N 403.866 3.060 0 40 HGAB Cc1ccc(C(=O)CN2C(=O)N[C@](C)(c3ccccc3Br)C2=O)cc1 57498347 ACMHRRSGPJJKHB-LJQANCHMSA-N 401.260 3.407 0 40 HGAB Cc1cccc(NC(=O)CN2CCN(C(=O)c3cc(C)n(C4CC4)c3C)CC2)c1C 58161228 XKVNOJDHUYWPGD-UHFFFAOYSA-N 408.546 3.453 0 40 HGAB COCCCN1C(=O)c2ccc(C(=O)NCC3(c4ccccc4)CCC3)cc2C1=O 10221787 ILMMDUWRNOFVSB-UHFFFAOYSA-N 406.482 3.171 0 40 HGAB COc1ccccc1/C=C/C(=O)Nc1ccc(S(=O)(=O)NCc2ccco2)cc1 10283331 DGHHDUDNTDZBSI-MDWZMJQESA-N 412.467 3.419 0 40 HGAB O=C(c1cc(-c2ccccc2)on1)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 27794024 UOWBJHOYOVHBEJ-OAHLLOKOSA-N 402.497 3.233 0 40 HGAB C[C@H]1C[C@@H](C)CN(C(=O)COC(=O)CNC(=O)c2ccc(-c3ccccc3)cc2)C1 12661157 JWCWHDWVVDHPGR-HDICACEKSA-N 408.498 3.131 0 40 HGAB CCOc1cc2c(cc1CNC(=O)c1ccc(Cl)c(S(C)(=O)=O)c1)O[C@@H](C)C2 12786078 VYXPIYNAUBUJRU-LBPRGKRZSA-N 423.918 3.396 0 40 HGAB Cc1c(CCC(=O)NCC2(CC(=O)O)CCCCC2)c(=O)oc2cc(O)ccc12 12895853 PKWHGBVVIKOJJU-UHFFFAOYSA-N 401.459 3.281 0 40 HGAB biogenic O=C(NCCc1ccc(Br)s1)[C@@H]1CCCN(C(=O)c2ccco2)C1 12823446 IPYKYRHFCBDIAC-GFCCVEGCSA-N 411.321 3.315 0 40 HGAB Cc1cc(Br)ccc1NC(=O)COC(=O)Cc1ccc2c(c1)OCCO2 3451389 QVZXXOPPZFUSDO-UHFFFAOYSA-N 420.259 3.253 0 40 HGAB Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)OCc2ccccc2Cl)CC1 12972588 PATQFXTYDONVAG-UHFFFAOYSA-N 412.895 3.089 0 40 HGAB COc1cc2c(cc1OC)CN(C(=O)CCc1c(C)c3ccc(O)cc3oc1=O)CC2 12902555 LJIWSGWLIAJXOS-UHFFFAOYSA-N 423.465 3.342 0 40 HGAB biogenic Cc1noc(C)c1S(=O)(=O)N[C@H](C)C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 12949186 HLVMNDZOVSEUOB-CYBMUJFWSA-N 411.483 3.168 0 40 HGAB COc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nncs2)cc1OC 3655689 WUMXGGPYBFFORL-KRWDZBQOSA-N 421.434 3.412 0 40 HGAB COC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)CN1C[C@H](C)O[C@H](C)C1 17087343 OAPSLAYULSKYOI-BETUJISGSA-N 406.479 3.389 0 40 HGAB O=C(C[C@H](NC(=O)C(F)(F)F)c1cccs1)N1CCN(c2ccccc2)CC1 4052162 CBBVZMLVBHUPSV-HNNXBMFYSA-N 411.449 3.207 0 40 HGAB COc1ccc(-c2nc(C(=O)Nc3ccc(S(C)(=O)=O)cc3)cs2)cc1OC 18947423 BJRGOZFGJHJRRE-UHFFFAOYSA-N 418.496 3.483 0 40 HGAB COC(=O)c1cccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)O)C3=O)o2)c1C 409127906 DEMKXHCAWGQJES-OVCLIPMQSA-N 401.396 3.163 0 40 HGAB COc1ccc(CN2C(=O)c3cccn3[C@@H]3CN(Cc4scnc4C)C[C@H]32)cc1 306144655 ZKZCNVVPSJHILW-WOJBJXKFSA-N 408.527 3.343 0 40 HGAB C[C@@H](NC(=O)[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1)c1ccc(-n2cncn2)cc1 14200048 JCVIXNUXKAVLHP-CRAIPNDOSA-N 423.904 3.147 0 40 HGAB Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)NCCc3ccccn3)cc2)c1 6507405 KVARMXDVVBCDFC-UHFFFAOYSA-N 409.511 3.472 0 40 HGAB Cc1ccc(NC(=O)Cn2c(=O)n(Cc3ccco3)c(=O)c3ccccc32)c(C)c1 4906616 BJIBNWSFXMJKPV-UHFFFAOYSA-N 403.438 3.060 0 40 HGAB CCOC(=O)C1=C(CN2CCCCCC2)NC(=O)N[C@H]1c1ccccc1OCC 67286821 HMGYCUSVVGLUCD-FQEVSTJZSA-N 401.507 3.132 0 40 HGAB O=C(O)COc1ccccc1/C=C1\SC(=O)N(CCOc2ccc(F)cc2)C1=O 409058785 TUAZQENIVXLVTG-BOPFTXTBSA-N 417.414 3.404 0 40 HGAB CC1(C)CS(=O)(=O)N(c2cccc(C(=O)NCCc3ccc(Cl)cc3)c2)C1=O 15858609 ZXJMBYIGOZEJMK-UHFFFAOYSA-N 420.918 3.015 0 40 HGAB COc1ccc(-c2cnc3c(N4CCN(Cc5scnc5C)CC4)nccn23)cc1 306128598 HFUBFPONWULHGK-UHFFFAOYSA-N 420.542 3.492 0 40 HGAB Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H]1C(=O)Nc1ccc(Cl)cc1Cl 9134110 SZNJXBDVBNBPDD-CQSZACIVSA-N 418.302 3.390 0 40 HGAB C[C@H](NC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)c1cccc(OC(F)F)c1 71850420 QPPCYYNWZGCLDV-SIUGBPQLSA-N 413.490 3.191 0 40 HGAB Cc1ccc2[nH]c(=O)c(CN(C[C@@H]3CCCO3)S(=O)(=O)c3ccccc3)cc2c1 9448236 HDXGUQXXCOACMM-IBGZPJMESA-N 412.511 3.206 0 40 HGAB COC(=O)Cc1c(C)c2ccc3c(c2oc1=O)CN(CCc1ccc(F)cc1)CO3 19882506 VHCURWVHOCHZJR-UHFFFAOYSA-N 411.429 3.351 0 40 HGAB CCc1ccc(-c2cc3c(=O)n(CC(=O)NCCC4=CCCCC4)ncn3n2)cc1 9727262 BYQLNQCZRHBYMB-UHFFFAOYSA-N 405.502 3.127 0 40 HGAB O=C(N[C@H]1CCN(c2ccccn2)C1)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 542409566 TXHPQQRHLSDXOU-OALUTQOASA-N 423.565 3.415 0 40 HGAB CCc1ccc(N(CC(=O)NCCSCc2ccccc2)S(C)(=O)=O)cc1 409025259 SKFXCBOTINVXPB-UHFFFAOYSA-N 406.573 3.065 0 40 HGAB CCc1noc(C)c1C(=O)NC1(C(=O)Nc2ccc(OC)c(OC)c2)CCCC1 72310320 DTJKKDPOMMZXAV-UHFFFAOYSA-N 401.463 3.244 0 40 HGAB COc1ccc(-c2cc(C(=O)N3CCN(c4cccc(OC)c4)CC3)n(C)n2)cc1 72406306 CFWOLSCFZBEZAV-UHFFFAOYSA-N 406.486 3.067 0 40 HGAB C[C@H](Nc1cccc(N2CCCC2=O)c1)C(=O)Nc1ccc(N2CCOCC2)cc1 9909761 GYXLIJNALFVCHG-KRWDZBQOSA-N 408.502 3.089 0 40 HGAB CCCc1c(C(=O)OCC)nnc2c(-c3ccc(OC)c(OC)c3)c(COC)nn12 21006180 QNTOFTBSVRGOEU-UHFFFAOYSA-N 414.462 3.084 0 40 HGAB CCN(CC)C(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1c(C)cc(C)cc1C 22246447 GSPIELNDVMITPI-FQEVSTJZSA-N 402.560 3.370 0 40 HGAB COc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H]2CCCc3ccccc32)cc1Cl 20013963 NRLGTTYSMQQATI-SFHVURJKSA-N 422.934 3.163 0 40 HGAB COc1cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)ccc1OCC(N)=O 409133552 MFCXIMXZGLMZGW-LICLKQGHSA-N 404.488 3.176 0 40 HGAB Cc1c(-c2nn3c([C@@H]4CCCN(S(C)(=O)=O)C4)nnc3s2)oc2ccccc12 1501040384 OPOMGSZXTIKQCM-GFCCVEGCSA-N 417.516 3.046 0 40 HGAB COc1cc(OC)c(NC(=O)CC[C@@H]2NC(=O)c3ccccc3N=C2O)cc1Cl 32101961 SIAKGGFAGRJIAP-AWEZNQCLSA-N 417.849 3.476 0 40 HGAB CC(C)c1ccccc1N(CC(=O)NCCCN(C)c1ccccc1)S(C)(=O)=O 219146799 LWAOJPLCKYAAER-UHFFFAOYSA-N 417.575 3.219 0 40 HGAB O=C(O)c1cc(S(=O)(=O)N2CCS[C@H](c3cccs3)CC2)ccc1F 219556935 VMYUDMOHOZDYPA-HNNXBMFYSA-N 401.506 3.454 0 40 HGAB COC[C@@]1(C(=O)O)[C@H](c2ccc(OC)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218124060 LCJXROGQBPWZLQ-ZIFCJYIRSA-N 410.875 3.006 0 40 HGAB CCc1ccc(NC(=O)[C@H](C)N2CCC(NS(=O)(=O)c3cccs3)CC2)cc1 32865319 JDKIYOUHDUCKDS-HNNXBMFYSA-N 421.588 3.080 0 40 HGAB COc1ccc(-c2cc(C(=O)N[C@@H](C)c3ccn(C)n3)c3c(C)nn(C)c3n2)cc1 36613376 NGXAPWHHXLRYRR-ZDUSSCGKSA-N 404.474 3.177 0 40 HGAB CC[C@@H](C)NS(=O)(=O)c1cc(C(=O)O)ccc1NCCc1ccc(OC)cc1 217429534 NZADAERPFJLJSU-CQSZACIVSA-N 406.504 3.125 0 40 HGAB CCS(=O)(=O)N1CCCC[C@H]1c1nnc(C2CCN(Cc3ccccc3)CC2)o1 72344890 FEYAJFSJHUDSSL-IBGZPJMESA-N 418.563 3.326 0 40 HGAB O=C(NCCOc1ccc(F)cc1)c1ccccc1NS(=O)(=O)c1ccccc1 223933337 XLVQKWIHFJZQOO-UHFFFAOYSA-N 414.458 3.435 0 40 HGAB Cc1cc(C)nc(-n2nc(-c3nc(-c4cccc(-c5n[nH]c(C)n5)c4)no3)cc2C)n1 567006328 NILNHEKVRFMXBW-UHFFFAOYSA-N 413.445 3.398 0 40 HGAB Cc1cccc(OCCNC(=O)N2CCC(CN3C(=O)c4ccccc4C3=O)CC2)c1 40155882 NVNYVRGJQQRJCL-UHFFFAOYSA-N 421.497 3.092 0 40 HGAB Cc1ccc([C@@H](C)NC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cc1C 44856421 MHHZBUSZOBTWCJ-KUHUBIRLSA-N 422.934 3.361 0 40 HGAB CN(CCOc1ccc(F)cc1)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 40096824 YFIXIEXEQPFNRC-UHFFFAOYSA-N 421.494 3.153 0 40 HGAB FC(F)(F)c1cc(N2Cc3ccccc3C2)nc(NC(=S)NC[C@@H]2CCCO2)n1 225910244 YZFAMUZUXVWVFG-AWEZNQCLSA-N 423.464 3.481 0 40 HGAB COC(=O)[C@H]1CN(C(=O)c2ccc(Nc3nc(C)cc(C)n3)cc2)c2ccccc2O1 225912854 JSYFYKPDFRGMEF-HXUWFJFHSA-N 418.453 3.418 0 40 HGAB CC[C@H](C(=O)Nc1ccccc1C(=O)NC(C)(C)C)N1C(=O)c2ccccc2C1=O 44928639 QRDBMCAYSFKNBZ-GOSISDBHSA-N 407.470 3.228 0 40 HGAB COC(=O)c1cc(S(=O)(=O)Nc2ccc(N3CCCC3=O)cc2)ccc1Cl 223832481 GPZKJAQKYWZFHE-UHFFFAOYSA-N 408.863 3.054 0 40 HGAB CC[C@H](C(=O)NCCOc1cc(C)ccc1C)N(c1ccccc1F)S(C)(=O)=O 224035651 FZOIPLOFTYQITQ-GOSISDBHSA-N 422.522 3.182 0 40 HGAB COc1ccc(C2(C(=O)N3CCC[C@](C(N)=O)(c4ccccn4)C3)CCCCC2)cc1 257223385 DXCPRASBAGHGPV-RUZDIDTESA-N 421.541 3.338 0 40 HGAB Cc1sc2nc([C@@H](C)N3CCC(C)(CN4CCN(C)CC4)CC3)nc(N)c2c1C 541664541 LTLUKCPFJZHXCL-MRXNPFEDSA-N 416.639 3.301 0 40 HGAB O=C([C@@H]1CCCN(c2nc3ccccc3s2)C1)N1CCN(c2ccccn2)CC1 90504237 DNLHNAWXZBKUQM-QGZVFWFLSA-N 407.543 3.257 0 40 HGAB Cc1c(N2C[C@H](C)O[C@](C)(C(F)F)C2)ncnc1N1C[C@@H](C)O[C@](C)(C(F)F)C1 630094782 KVHDKGMUWFFJDQ-KHGIDLIESA-N 420.451 3.283 0 40 HGAB O=S(=O)(c1ccc(F)cc1)C1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 96099480 LRIKNHKVYJPECQ-UHFFFAOYSA-N 423.940 3.168 0 40 HGAB Cc1ccc(C2(CN3CCC(NC(=O)CN4CCCC4=O)CC3)CCCCC2)cc1 72393572 CWUDPTLSEQCYAM-UHFFFAOYSA-N 411.590 3.400 0 40 HGAB CS(=O)(=O)N1CC[C@H]2CC(=O)Nc3cc(-c4ccccc4)ccc3OCC[C@H]2C1 1534646646 NVNDARZSELEOCA-OALUTQOASA-N 414.527 3.362 0 40 HGAB COc1ccc(-c2nc(CCNS(=O)(=O)c3ccc(F)cc3)cs2)cc1OC 11758721 MLPYIOYRRMUIFI-UHFFFAOYSA-N 422.503 3.487 0 40 HGAB COc1cc2cc(N)c(C3CCN(C(=O)CCCn4ccnc4)CC3)nc2cc1OC 12087984 GMNQAZZMXFJPPX-UHFFFAOYSA-N 423.517 3.217 0 40 HGAB C[C@@H](NC(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)C12CC3CC(CC(C3)C1)C2 13000638 PBMFZAACQOLNLL-AHERIEHWSA-N 421.541 3.101 0 40 HGAB COc1ccccc1N1CCN(c2cc(C)nc3nc(-c4ccccc4)nn23)CC1 16283427 LNKSNLFWRCVZAS-UHFFFAOYSA-N 400.486 3.435 0 40 HGAB CC(C)C(=O)N1CCO[C@](Cc2ccccc2-c2ccsc2)(C(=O)N(C)C)C1 19085892 MVDUXFATCSZZCZ-QFIPXVFZSA-N 400.544 3.299 0 40 HGAB O=C(c1ccccn1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)CN(CC1CCCCC1)CC2 19400062 FAIOMYREOLTCJO-NRFANRHFSA-N 421.545 3.081 0 40 HGAB CC(C)c1cc(C(=O)N2CCC(C(=O)c3cnn(-c4cccc(F)c4)c3N)CC2)[nH]n1 19451747 DWXWKOZWQFFANI-UHFFFAOYSA-N 424.480 3.175 0 40 HGAB Cc1cnccc1-c1c[nH]nc1[C@H]1CCCCN1C(=O)c1c(C)cc(C)n(C)c1=O 19572177 UAAZXQKFTMJVKU-LJQANCHMSA-N 405.502 3.463 0 40 HGAB CN(C)C(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CCCN(C(=O)c2ccccn2)C1 19579286 JDLVRRTXNKIOJW-XMMPIXPASA-N 418.497 3.290 0 40 HGAB CCn1ncc(-c2cc(C(=O)N3CCC(C(=O)N4CCCCCC4)CC3)on2)c1C 19665056 WALXIKBWOALULW-UHFFFAOYSA-N 413.522 3.121 0 40 HGAB CNc1nc([C@H]2CCCN2C(=O)CCCc2ccccc2)nc2c1CCN(C(C)=O)C2 19707909 JRPGJKUDRKGBPB-OAQYLSRUSA-N 421.545 3.109 0 40 HGAB Cc1ncc(C(=O)NCc2ccccn2)c(CC2CCN(C(=O)C3CCCC3)CC2)n1 19754030 LYVBQTFDSQHLOY-UHFFFAOYSA-N 421.545 3.081 0 40 HGAB Cc1ncc(CN2CC[C@H](c3cc(C(=O)N4CCOCC4)c4ccccc4n3)C2)s1 19761118 IOTUUPVVYCOUEF-KRWDZBQOSA-N 422.554 3.462 0 40 HGAB Cn1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(N2CCOCC2)cc1 209940612 MOKSOAIPDXZDHH-VXKWHMMOSA-N 419.554 3.434 0 40 HGAB COc1ccc(CCNC(=O)[C@H]2C[C@H]3CC[C@H]2C[C@@]32NC(=O)c3ccccc3O2)cc1 247911642 KTVSJXZCKHYJBB-DVFHOWMISA-N 420.509 3.309 0 40 HGAB C[C@@]12NC(=S)N[C@@H](c3cc(Br)ccc3O1)[C@@H]2C(=O)Nc1ccccc1 689355 TWSWFATZOVQBPS-RVKKMQEKSA-N 418.316 3.331 0 40 HGAB CN(C)c1ccc(C(=S)N2CCN(C(=S)c3ccc(N(C)C)cc3)CC2)cc1 2697266 MEGXNMQUUBEXSI-UHFFFAOYSA-N 412.628 3.487 0 40 HGAB Cc1cccc(Cn2c(=O)c3c(nc4n3CCCN4c3ccccc3C)n(C)c2=O)c1 4249415 QHJAMBVATSOGMO-UHFFFAOYSA-N 415.497 3.104 0 40 HGAB Cc1ccc(-n2c(=O)c3oc4ccccc4c3n(CC(=O)N3CCCCC3)c2=O)cc1 4359014 ZLIDNIARKSQKFY-UHFFFAOYSA-N 417.465 3.220 0 40 HGAB CC(=O)c1cccc(NC(=O)CSc2nnc3ccc(-c4ccccn4)nn23)c1 5168375 DUDACOOKBXFUGE-UHFFFAOYSA-N 404.455 3.120 0 40 HGAB Cc1ccc(N2C(=O)N(c3cccc(Br)c3)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 8768105 AYTKOZVGSFIUCA-DLBZAZTESA-N 421.316 3.370 0 40 HGAB COc1ccc(CCNC(=O)c2csc(NC(=O)c3ccccc3)n2)cc1OC 8873031 FROXHHGNHHXOCY-UHFFFAOYSA-N 411.483 3.385 0 40 HGAB COc1ccc(S(=O)(=O)CC(=O)Nc2ccc3nc(SC)sc3c2)cc1 10219266 FQDFDLQJUQUDDY-UHFFFAOYSA-N 408.526 3.439 0 40 HGAB NC(=O)COc1cccc([C@@H]2CC(=O)Nc3c2sc(C(=O)O)c3-c2ccccc2)c1 15107446 KLLQCRQEZJZTLR-HNNXBMFYSA-N 422.462 3.452 0 40 HGAB Cc1cc(NC(=O)c2cn(C[C@H](O)c3ccsc3)nn2)ccc1Br 225582318 AMMZTKZFBYNZPL-HNNXBMFYSA-N 407.293 3.396 0 40 HGAB COC(=O)c1ccc(OCCN2CCCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 40153360 NNNBNURKBGGOKL-UHFFFAOYSA-N 423.435 3.478 0 40 HGAB COC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3Cl)c(=O)n2[C@H]1c1ccccc1 831294 OATDJEOYHCRPAI-GTVARFKMSA-N 424.909 3.062 0 40 HGAB Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(F)c3)cc2)n1 942416 XGNQZJHAPLDZNJ-UHFFFAOYSA-N 400.435 3.286 0 40 HGAB Cc1ccc(S(=O)(=O)C[C@](C)(O)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 1388628 OOORFTSUBJMPJT-KRWDZBQOSA-N 401.406 3.177 0 40 HGAB Cc1ccc(S(=O)(=O)C2=C(NN)C(=O)N(c3ccccc3)[C@@H]2c2ccccc2)cc1 1413389 VNTOLJSMMKLQPQ-OAQYLSRUSA-N 419.506 3.232 0 40 HGAB CCc1nnc(NC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)s1 3215912 OFMJPHUVASXLHQ-UHFFFAOYSA-N 402.501 3.178 0 40 HGAB aggregator C[C@H]1CCC=C2C[C@H]3OC(=O)[C@H](CN4CCC(N5CCCCC5)CC4)[C@H]3[C@@H](O)[C@@]21C 4062994 GQWCDWWREXSFDW-DBPOXSKKSA-N 416.606 3.222 0 40 HGAB CCOC(=O)c1ccc(N2CCN(C(C)=O)CC2)c(NC(=O)c2ccccc2C)c1 4712223 XOPHPFLNHGULES-UHFFFAOYSA-N 409.486 3.093 0 40 HGAB Cc1ccnc(NC(=O)CCC(=O)N(CC(=O)NC2CCCCC2)C2CCCC2)c1 4849610 XICSJGACTVDJHF-UHFFFAOYSA-N 414.550 3.329 0 40 HGAB Cc1occc1-c1nnc(SCC(=O)Nc2nccs2)n1C[C@H]1CCCO1 4860834 APBGRZNHROFADH-GFCCVEGCSA-N 405.505 3.213 0 40 HGAB CC(=O)C1=NN(c2ccc(Cl)cc2)[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]12 4862961 DFAQYSXEXHQLIA-RDJZCZTQSA-N 402.237 3.317 0 40 HGAB COc1cc(NC(=O)[C@@H]2CCCN2C(=O)C2CCC(C)CC2)cc(OC)c1OC 4872765 DVIIFMCOXTZHTI-DQPZFDDXSA-N 404.507 3.468 0 40 HGAB CCOc1ccc(C(=O)CSc2nnc3c(n2)CCCC3)cc1NC(=O)CC 5059973 SRIGLAUMMCYFJR-UHFFFAOYSA-N 400.504 3.473 0 40 HGAB CCn1c(S[C@H](C)C(=O)c2ccc(OC)cc2)nc2cc(S(N)(=O)=O)ccc21 5071573 VQDWSKCTRBJBIV-GFCCVEGCSA-N 419.528 3.076 0 40 HGAB CCOC(=O)c1ccc(NC(=O)c2ccc(C)c(N3CCCCS3(=O)=O)c2)cc1 5135911 YUMXNNYMPFOWSN-UHFFFAOYSA-N 416.499 3.354 0 40 HGAB COc1cccc(C(=O)OCc2nc3ccccc3[n+]([O-])c2C(=O)c2ccccc2)c1 5499950 ARYKKLDIXCVENW-UHFFFAOYSA-N 414.417 3.465 0 40 HGAB COc1cc([C@@H]2c3cc4c(cc3O[C@H](OC(C)=O)[C@@H]2C)OCO4)cc(OC)c1OC 5759202 MNYOZBKWYSFDMB-POXIFTRPSA-N 416.426 3.491 0 40 HGAB C[C@@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)Nc1nc3ccccc3s1)C2=O 7767233 IPNJZXKPBYIOMT-MPBGBICISA-N 400.504 3.372 0 40 HGAB O=C(CCn1ccc2ccccc21)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 8139324 JFFICTATIFRPEK-XDHOZWIPSA-N 423.538 3.176 0 40 HGAB COc1ccc(S(N)(=O)=O)cc1C(=O)N[C@@H](Cc1ccccc1)c1ccccc1 8338215 MTTFXGWRTDZQJF-FQEVSTJZSA-N 410.495 3.056 0 40 HGAB CC[C@H](C)NC(=O)CSc1nc2ccccc2c(=O)n1CCCN(CC)CC 8346124 DJNGILHRJZTQIL-INIZCTEOSA-N 404.580 3.135 0 40 HGAB CN(Cc1ccco1)C(=O)CN1C(=O)N[C@](C)(c2ccc(Cl)c(Cl)c2)C1=O 8526860 GPDSAANCYHTBBF-GOSISDBHSA-N 410.257 3.012 0 40 HGAB CCN(C(=O)c1sc2nc(C)cc(C)c2c1-n1cccc1)[C@H]1CCS(=O)(=O)C1 9220895 JAUCSUVBXBBSHX-HNNXBMFYSA-N 417.556 3.353 0 40 HGAB COc1ccc(OC)c(NC(=O)Cn2ccn3nc(-c4ccc(C)cc4)cc3c2=O)c1 9321073 PTLLGZAWNZJNEC-UHFFFAOYSA-N 418.453 3.127 0 40 HGAB Cn1c(=O)n(Cc2ccc(Cl)cc2)c(=O)c2c1nc1oc(-c3ccccc3)cn12 9789624 DWKLQLQVONGERJ-UHFFFAOYSA-N 406.829 3.310 0 40 HGAB Cc1cccc(C(=O)NCCn2ncc3c(=O)n(Cc4ccc(Cl)cc4)cnc32)c1 9823200 KYRBSPGFMONRQY-UHFFFAOYSA-N 421.888 3.033 0 40 HGAB Nn1c(SCC(=O)NCc2ccc(Cl)cc2Cl)nnc1-c1cccs1 9884378 LGSHDNCXGQFRHN-UHFFFAOYSA-N 414.343 3.436 0 40 HGAB Cc1ccc(Cn2nc(-c3ccco3)c3sc(N4CCOCC4)nc3c2=O)cc1 11666309 WIILUJONCZAVFP-UHFFFAOYSA-N 408.483 3.306 0 40 HGAB O=C(CSc1ccc(NC(=O)c2ccccc2F)nn1)NCCc1ccccc1 11738855 XMXQRXSFGGERKZ-UHFFFAOYSA-N 410.474 3.319 0 40 HGAB COc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCCN3C(=O)c2cccnc2)cc1 11906473 QFTLGXQHZXHHQI-UHFFFAOYSA-N 423.494 3.484 0 40 HGAB COc1ccccc1CC(=O)N[C@@H]1C[C@@]2(CCC(=O)N(C)CC2)Oc2ccccc21 12086409 MTJAQKYAOBYBAC-DVECYGJZSA-N 408.498 3.259 0 40 HGAB Cc1cc2c(s1)c1cnn(CC(=O)NC34CC5CC(CC(C5)C3)C4)c(=O)c1n2C 12142720 NMLGUCMXYOMLOE-UHFFFAOYSA-N 410.543 3.343 0 40 HGAB Cc1cc(-c2cc(=O)n(CC(=O)N3CCc4ccccc43)nc2-c2ccco2)on1 12251575 KSMNHLGZHPXZKZ-UHFFFAOYSA-N 402.410 3.056 0 40 HGAB NC(=O)CCn1c(SCc2cn3cc(Cl)ccc3n2)nnc1-c1cccs1 12548025 BCBXGENWTLLFCJ-UHFFFAOYSA-N 418.935 3.475 0 40 HGAB COCCNC(=O)[C@@H](OC(=O)c1nsc(Cl)c1Cl)c1ccccc1OC 12642969 MJFANZWCFIPOCL-ZDUSSCGKSA-N 419.286 3.119 0 40 HGAB O=C(Nc1cccc(S(=O)(=O)NC2CC2)c1)c1cc(Br)ccc1F 12816674 WBSAZSGEKQZLRT-UHFFFAOYSA-N 413.268 3.281 0 40 HGAB C[C@@H]1CN(CCCNC(=O)c2cccc(NC(=O)c3cccs3)c2)C[C@@H](C)O1 12912215 QDQHWLNSRKMVKL-HZPDHXFCSA-N 401.532 3.230 0 40 HGAB CCOc1ccc(CNC(=O)[C@H](C)N2c3cccc4cccc(c34)S2(=O)=O)cc1 13672629 XBQWHYPBIAKMOR-HNNXBMFYSA-N 410.495 3.452 0 40 HGAB CC[C@@H](C(=O)Nc1ccccc1C(=O)OC)N(c1ccc(Cl)cc1)S(C)(=O)=O 13714210 VXJTXKQULUDSPV-KRWDZBQOSA-N 424.906 3.310 0 40 HGAB COc1ccc(OC)c(CN2CCN(C(=O)c3cc(Cl)c4c(c3)OCO4)CC2)c1 14118907 CVQRNFKZKYCJJC-UHFFFAOYSA-N 418.877 3.044 0 40 HGAB CCOc1ccc(NC(=O)NC(=O)CN2CCC[C@H](C(F)(F)F)C2)cc1OCC 14197418 GCSNCHUNXWRDKT-ZDUSSCGKSA-N 417.428 3.406 0 40 HGAB CCN(C(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)c1ccc(F)cc1 14198848 GCAOFDGQJHQERS-UHFFFAOYSA-N 408.470 3.419 0 40 HGAB CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)COc1cccc2ccccc12 15718355 RCEXWOJKGIHQIW-UHFFFAOYSA-N 410.495 3.058 0 40 HGAB Cc1ccc2nc(COc3cccc(NS(=O)(=O)c4ccccc4)c3)cc(=O)n2c1 15865506 FQDZMNGHHCKCPZ-UHFFFAOYSA-N 421.478 3.383 0 40 HGAB Cc1ccccc1-c1nnc(SCC(=O)N[C@H]2CCN(Cc3ccccc3)C2)n1C 19316927 ZPMIWKSCESBFNY-IBGZPJMESA-N 421.570 3.273 0 40 HGAB CSCC[C@H](C(=O)Nc1nc(-c2ccc3c(c2)C[C@H](C)O3)cs1)n1cnnn1 19498230 KDJCRPAHLPALBX-XHDPSFHLSA-N 416.532 3.053 0 40 HGAB CCOc1ccc(COC)cc1CN1CC[C@@H](c2ncncc2-c2noc(C)n2)C1 19693722 RBCMPYQBZXTBLN-QGZVFWFLSA-N 409.490 3.370 0 40 HGAB CNC(=O)c1sc2ccccc2c1[C@H]1CN(Cc2cccnc2N(C)C)CCO1 19697633 NSBJWUOWWHJRBX-QGZVFWFLSA-N 410.543 3.295 0 40 HGAB CCOC(=O)[C@@H]1C(=O)N(CCCOC)c2nc3ccccc3n2[C@@H]1c1ccccc1 19818313 SGKATOWAFCBFRZ-VQTJNVASSA-N 407.470 3.188 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)[C@@H](C)Oc1ccccc1C 20456081 HRWZPQLPGWENPA-MRXNPFEDSA-N 418.515 3.194 0 40 HGAB CC(C)c1nc2sc3c(=O)n(CCN4CCOCC4)cnc3c2c2c1CCCC2 20647262 XNYGIVSRBIRBSW-UHFFFAOYSA-N 412.559 3.341 0 40 HGAB COc1cc(OC)c(NC(=O)COc2cc(C)nc(N3CCCC3)n2)cc1Cl 21360666 YSQIVVJUAGVZTA-UHFFFAOYSA-N 406.870 3.073 0 40 HGAB CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N(CC)CC)cc1C 22247340 FGJCFLOBQVKJJO-HXUWFJFHSA-N 418.559 3.152 0 40 HGAB COc1cccc([C@@H](c2sc3ncnn3c2O)N2CCN(c3ccccc3)CC2)c1 22609877 FONXXRSVQTYLHR-IBGZPJMESA-N 421.526 3.417 0 40 HGAB CC(C)CN1CCO[C@@H](CNC(=O)c2cc3ccccc3cc2NC(=O)C2CC2)C1 22693989 AQMJXHSSHATNFY-FQEVSTJZSA-N 409.530 3.275 0 40 HGAB CCOC(=O)c1sc(NC(=O)Cn2cnc3sc(C)c(C)c3c2=O)cc1C 23038996 ZZSFLUJOIQSIPS-UHFFFAOYSA-N 405.501 3.260 0 40 HGAB COc1ccc(Cl)cc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 24606510 YIIBANXJXKTCLD-GFCCVEGCSA-N 414.936 3.450 0 40 HGAB CCN(C(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1)c1ccccc1 24830974 HMCDFODJIPEVIO-IRXDYDNUSA-N 402.516 3.151 0 40 HGAB O=C(NC[C@H]([C@H]1CCOC1)N1CCOCC1)N[C@@H](Cc1ccccc1)c1ccccc1 29733919 MHCGKCBYLOCQDA-KMDXXIMOSA-N 423.557 3.007 0 40 HGAB Cc1cccc(N2CCN(C(=O)c3cccc(NC(=O)[C@H]4CCCO4)c3)CC2)c1C 30780598 RIWULHMZLDYLNU-JOCHJYFZSA-N 407.514 3.383 0 40 HGAB Cc1cccc(-c2nnc(SCC(=O)Nc3cccc(Cl)c3)n2CC(N)=O)c1 32741913 DZGBFLXGRJBSSB-UHFFFAOYSA-N 415.906 3.123 0 40 HGAB Cc1cc2n(CC(=O)Nc3ncc(Cl)cc3Cl)c(=O)c3ccccc3n2n1 32810253 AQFRFMOVSKZANR-UHFFFAOYSA-N 402.241 3.298 0 40 HGAB Cc1ccc(-c2noc(CSc3nc4cc5c(cc4c(=O)n3C)OCO5)n2)cc1 33279702 VZAGZIDNRNQDSA-UHFFFAOYSA-N 408.439 3.313 0 40 HGAB COc1ccc(-c2nc(Cn3nnc(C(=O)Nc4cccc(F)c4)c3N)c(C)o2)cc1 33291719 VYAGSEWFRFUNSN-UHFFFAOYSA-N 422.420 3.272 0 40 HGAB COCCn1nnnc1[C@H](c1ccc(C)cc1)N1CCN(c2cc(C)ccc2C)CC1 35290566 HRZXUGSXUDOWLA-QHCPKHFHSA-N 420.561 3.156 0 40 HGAB Cn1nc(NC(=O)c2ccc(Br)o2)c2c1NC(=O)C[C@@H]2c1ccco1 35597892 RUGQCKFDUIYVBX-MRVPVSSYSA-N 405.208 3.095 0 40 HGAB CCN(CC(=O)N[C@H](C)CCc1ccccc1)S(=O)(=O)c1cc(C)ccc1OC 39985915 RMLGGNXYBCUQRN-GOSISDBHSA-N 418.559 3.152 0 40 HGAB COC(=O)c1cnc(NC(=O)c2nn(-c3ccc(F)c(F)c3)c3c2CCC3)s1 44379517 PFOPBBVXJWCPPD-UHFFFAOYSA-N 404.398 3.135 0 40 HGAB Cc1cc(C(=O)NCc2ccc(CN3CCCCC3)cc2)ccc1NS(C)(=O)=O 44874603 CCRZLWKNKBXOSN-UHFFFAOYSA-N 415.559 3.282 0 40 HGAB Cc1nccn1-c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)cc1 44900781 RRRIKPJHKOPKKX-UHFFFAOYSA-N 406.305 3.422 0 40 HGAB C[C@H](CNC(=O)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1)CN1CCCC1 47916776 NZFRKUIPLIKEAM-MRXNPFEDSA-N 419.522 3.088 0 40 HGAB O=S(=O)(c1ccc2c(c1)OCCO2)N1CCC[C@H](COCc2ccccc2)C1 49031796 SRCLDOMTSHHOCN-SFHVURJKSA-N 403.500 3.075 0 40 HGAB Cc1ccc(C)c(-c2cc3c(=O)n(CC(=O)Nc4ccc(F)cc4F)ncn3n2)c1 51317049 QMQAEALWEWTDNQ-UHFFFAOYSA-N 409.396 3.092 0 40 HGAB Cc1ccc(NC(=O)NC[C@H](O)COc2ccccc2)cc1NC(=O)c1ccncc1 58218644 UJNRTVDDIBYXMF-IBGZPJMESA-N 420.469 3.204 0 40 HGAB COc1ccc([C@H](C)NC(=O)c2cn(-c3cc(-c4nc(C)no4)ccn3)cn2)cc1 65250884 MNEOTSDDOISURC-ZDUSSCGKSA-N 404.430 3.125 0 40 HGAB C[C@@H](NC(=O)c1ccccc1)C(=O)N1Cc2cc3c(cc2C2(CCCC2)C1)OCCO3 71793345 HCYAWRRSBOILGY-QGZVFWFLSA-N 420.509 3.430 0 40 HGAB O=C(c1ccc(CN2CCOCC2)o1)N1CCCC[C@@H]1c1nc2ccc(F)cc2[nH]1 72347490 JIXQWHLHPNZVSE-LJQANCHMSA-N 412.465 3.495 0 40 HGAB Cc1cc(-c2cnc(N)nc2)cc([C@@H]2CCCN(C(=O)CC3(O)CCCCC3)C2)n1 72353715 WAVJWCULRPTQGS-QGZVFWFLSA-N 409.534 3.221 0 40 HGAB Cc1cccc(CC(=O)N2CCC[C@@H]2CN2Cc3ccccc3OC[C@@H]2CN(C)C)c1 72394718 IBKPXISGUJYBEX-RPWUZVMVSA-N 421.585 3.353 0 40 HGAB Cc1nc(C)n2c(=O)n(CC(=O)Nc3cc(C(F)(F)F)ccc3Cl)nc2c1C 90610069 WATODDZQSHBFGW-UHFFFAOYSA-N 413.787 3.127 0 40 HGAB CC1CCN(S(=O)(=O)Cc2ccccc2CNC(=O)c2cc(F)ccc2O)CC1 95440919 VRJILOCBKPSODD-UHFFFAOYSA-N 420.506 3.023 0 40 HGAB COC(=O)c1ccc(NC(=O)CN2CCC[C@@H](c3nc4ccc(C)cc4[nH]3)C2)cc1 95446866 GAGWEWFPICFKQA-QGZVFWFLSA-N 406.486 3.476 0 40 HGAB CCOC(=O)c1cnc(C)c(C(=O)N[C@@H](c2nc(-c3cccnc3)no2)C(C)C)c1 95453124 JXDMVYUEEDBZGM-QGZVFWFLSA-N 409.446 3.139 0 40 HGAB CSc1ccc([C@H](O)CNS(=O)(=O)c2ccc(NC(=O)C(C)C)cc2)cc1 96103227 YSJBSEHSRJJBDK-GOSISDBHSA-N 408.545 3.015 0 40 HGAB COc1ccc(CCc2nc(NC(=O)c3ccc4ccn(C)c4c3)n[nH]2)cc1OC 96118154 WRDWWHJUFKXUHX-UHFFFAOYSA-N 405.458 3.351 0 40 HGAB CCc1ccc(NC(=O)N2CCC[C@@]3(CC(C(=O)Nc4cccnc4)=NO3)C2)cc1 96225025 NSTROPXAOAHWGY-JOCHJYFZSA-N 407.474 3.426 0 40 HGAB CC(=O)C1C(=O)[C@@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@]2(Cl)C1(Cl)Cl 100709130 XNWBXIRIABZIIO-OLETYDOLSA-N 410.895 3.421 0 40 HGAB COc1ccccc1-c1cc2ncc3c(n2n1)C[C@@H]1CC[C@@H]3N1C(=O)c1ccn(C)n1 100752844 PGCNGFHYCPRTJD-LIRRHRJNSA-N 414.469 3.040 0 40 HGAB COc1ccc(OC)c(NC(=O)c2ccc(N3C(=O)[C@H]4CC=CC[C@H]4C3=O)cc2)c1 102301453 NAVBNIBBUYWFSJ-HDICACEKSA-N 406.438 3.412 0 40 HGAB O=C(N[C@H]1C[C@@H]2CC[C@@H]1C2)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1 113948835 MBHKQEIKCNJZJO-SUMDDJOVSA-N 410.967 3.187 0 40 HGAB COc1cccc(N([C@H](C)C(=O)Nc2cccc(OC(C)C)c2)S(C)(=O)=O)c1 220173593 WPBDTWYAZUWTRW-OAHLLOKOSA-N 406.504 3.276 0 40 HGAB COc1ccc(CCNC(=O)[C@@H](C)N(c2ccc(C)c(Cl)c2)S(C)(=O)=O)cc1 220358324 GKWWNKLKOCYXQL-OAHLLOKOSA-N 424.950 3.170 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(CCC(=O)N(C)c2cccc(OC)c2)cc1 222885770 KITHEXGKKCWCCR-UHFFFAOYSA-N 404.532 3.321 0 40 HGAB CC[C@@H](NC(=O)CN(C)S(=O)(=O)c1ccc(OC)cc1)c1ccc(C)cc1C 223058601 RBUNVUIFMJIFOC-HXUWFJFHSA-N 404.532 3.200 0 40 HGAB CS(=O)(=O)N(CC(=O)NCc1cccc(C(F)(F)F)c1)c1ccccc1Cl 223174445 FVZILIDKEGBGES-UHFFFAOYSA-N 420.840 3.441 0 40 HGAB CS(=O)(=O)N(CC(=O)NCCc1ccc(F)cc1)c1cccc(Cl)c1Cl 223712333 AZWGFQXNKPGLLP-UHFFFAOYSA-N 419.305 3.257 0 40 HGAB CCc1ccc(OCCNC(=O)[C@H](CC)N(c2ccc(C)cc2)S(C)(=O)=O)cc1 224304771 JZCCGXFDYDFLPV-NRFANRHFSA-N 418.559 3.297 0 40 HGAB Cc1cccc(CCCNS(=O)(=O)c2nnc(NC(=O)c3ccccc3)s2)c1 225763057 AOVAKSWAMCQIEN-UHFFFAOYSA-N 416.528 3.010 0 40 HGAB CCCN1C(C)=NS(=O)(=O)c2cc(C(=O)N(C)Cc3ccccc3F)ccc21 225865589 ZWEPWFCHSMUJQQ-UHFFFAOYSA-N 403.479 3.435 0 40 HGAB COCCCNC(=S)Nc1nc(N2CCC(C)CC2)cc(N2CCCC[C@@H]2C)n1 225901016 SBGQGAMQYDQQBL-KRWDZBQOSA-N 420.627 3.415 0 40 HGAB Cc1ccc([C@H]2[C@@H]3C(=O)N(C(C)(C)C)[C@@H](C(=O)NC4CCCC4)[C@@]34C=C[C@H]2O4)cc1 245227179 DXOLGWOCJNTKGM-JWEZWNSLSA-N 408.542 3.470 0 40 HGAB Cc1nc2c(C)cccn2c1CN1CCO[C@@H](c2cccc(-c3cnn(C)c3)n2)C1 257299018 ROJVTCBARJIGFA-JOCHJYFZSA-N 402.502 3.320 0 40 HGAB COc1cccc(-c2cnc3c(N4CCN(Cc5ccccn5)CC4)nccn23)c1 306125341 CMYIGHDZGORMIT-UHFFFAOYSA-N 400.486 3.122 0 40 HGAB Cn1c(C(=O)NC[C@@H]2CC3(CCN(CCC(F)(F)F)CC3)O2)cc2ccccc21 306138718 SFPJHMTVCUODIP-INIZCTEOSA-N 409.452 3.484 0 40 HGAB O=C1c2cccn2[C@H]2CN(Cc3ccc4c(c3)OCO4)C[C@@H]2N1Cc1ccccc1 306140285 UOWICAOSLDFADU-SFTDATJTSA-N 401.466 3.298 0 40 HGAB CCOc1ccc(S(=O)(=O)N(CC(=O)NC2CCCC2)Cc2ccccc2)cc1 408618710 FFCYGJCNKVIQPU-UHFFFAOYSA-N 416.543 3.335 0 40 HGAB CCOc1ccc(C(=O)Nc2cccc(C(C)=O)c2)cc1S(=O)(=O)NC(C)C 408701356 WPXQNLZYJPTLND-UHFFFAOYSA-N 404.488 3.227 0 40 HGAB Cc1ccc([C@@H]2[C@@H](NC(=O)c3cccc(C)c3)C(=O)N/[N+]2=C\c2ccc(F)cc2)cc1 409054422 JQDSPQFWAFFPEG-VNGKGULCSA-O 416.476 3.459 0 40 HGAB CC(C)n1c(CNC(=O)c2c(-n3cnnn3)sc3c2CCC3)nc2ccccc21 524732785 NTALYFQMYIJEEL-UHFFFAOYSA-N 407.503 3.073 0 40 HGAB Cc1cc(C)cc(C(=O)N2CCC3(CC2)CCn2ccnc2[C@@H]3NC(=O)C2CC2)c1 585091872 RLTBRFKJKIDZDW-FQEVSTJZSA-N 406.530 3.394 0 40 HGAB O=C(NCc1cccnc1OCC(F)(F)F)[C@H]1CCCCN1Cc1ccncc1 1116004786 STAKDGANIICREI-QGZVFWFLSA-N 408.424 3.089 0 40 HGAB COc1ccc2cc([C@@H](c3nnnn3C(C)(C)C)N3CCC[C@@H](C)C3)c(=O)[nH]c2c1 1222754 YLUAFORFLJFDMP-KUHUBIRLSA-N 410.522 3.100 0 40 HGAB CCCCOC(=O)[C@@H]1[C@H]2C=C[C@]3(CN(c4ccc(Br)cc4)C(=O)[C@H]13)O2 2145872 RCQLXQWILYUYGW-OAFZBRQQSA-N 406.276 3.079 0 40 HGAB biogenic CCCCN(CCCC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(COC)o2)cc1 4034485 YMEULINJLJVWPR-UHFFFAOYSA-N 424.523 3.059 0 40 HGAB CCOc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OCC(F)(F)C(F)(F)F)cc1 4090994 GCKVCCCQEVFIII-ZDUSSCGKSA-N 408.323 3.454 0 40 HGAB Cc1ccc2cc(CN(CCN(C)C)C(=S)NCCc3ccccc3)c(=O)[nH]c2c1 4133449 GVZATSGQVJPAJR-UHFFFAOYSA-N 422.598 3.317 0 40 HGAB Cc1ccc(C)c(C(=O)COC(=O)[C@H](C(C)C)N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@@H]3C2=O)c1 4178431 LFVFIRCVBDCTAY-LPKWFMKBSA-N 411.498 3.085 0 40 HGAB CCOC(=O)/C(=C(\Nc1ccccc1)SC)c1nn2c(=O)cc(C)nc2s1 4562010 UEOYBRLENHYRMX-CCEZHUSRSA-N 402.501 3.166 0 40 HGAB Cc1ccc(Cc2nn3c(SCC(=O)c4ccc(C)c(C)c4)nnc3[nH]c2=O)cc1 5144234 MJKAPXKGZYWNLH-UHFFFAOYSA-N 419.510 3.304 0 40 HGAB COc1ccc(Cl)cc1NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 5575637 ZFKHMKPCHZCBHB-GFCCVEGCSA-N 402.834 3.111 0 40 HGAB COc1cc(OC)c2c(C)c(CC(=O)Nc3ccc4c(c3)OCCO4)c(=O)oc2c1 6660612 LAWDDNMUQBJBTK-UHFFFAOYSA-N 411.410 3.071 0 40 HGAB CN(CC(=O)OCC(=O)c1ccc(Br)cc1)C(=O)OCc1ccccc1 6878749 ZUYZGSBIFGZRFF-UHFFFAOYSA-N 420.259 3.444 0 40 HGAB COc1ccc(C)cc1-n1nnnc1S[C@@H](C(=O)N1CCCC1)c1ccccc1 6992623 KTNYXVUOQIADMS-LJQANCHMSA-N 409.515 3.435 0 40 HGAB Cc1sc2ncnc(SCC(=O)NC[C@H]3COc4ccccc4O3)c2c1C 7213981 CJLCRYCRVOXLIC-ZDUSSCGKSA-N 401.513 3.356 0 40 HGAB CCc1ccccc1NC(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1 7724256 VHAZVICAYYIQBD-HZPDHXFCSA-N 402.516 3.299 0 40 HGAB COc1ccc(OC)c([C@@H]2CCCN2S(=O)(=O)c2ccc(NC(C)=O)cc2)c1 8058841 CXNHTSWGDOBMGJ-IBGZPJMESA-N 404.488 3.188 0 40 HGAB COc1cc(OC)c(C(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C)C3)cc1OC 8075894 SYJTYNBJNOIDSY-JTQLQIEISA-N 404.488 3.250 0 40 HGAB C[C@H]1CCCC[C@@]12NC(=O)N(Cc1cc3c(cc1Br)OCCO3)C2=O 8132875 BSZRBOZVBCXCIU-BBATYDOGSA-N 409.280 3.221 0 40 HGAB COc1ccc(OC)c(-n2nnc(-c3nc(-c4ccc5c(c4)OCO5)no3)c2C)c1 8673317 VQKPMBNWESMSNW-UHFFFAOYSA-N 407.386 3.039 0 40 HGAB COc1ccc2c(c1)[C@H]1NC(=S)N[C@@](C)(O2)[C@@H]1C(=O)Nc1ccc(Cl)cc1 8682932 LJOHCHIDMKAQGY-FCEWJHQRSA-N 403.891 3.231 0 40 HGAB O=C(COc1ccc(N2C[C@@H](C(=O)O)CC2=O)cc1)Nc1ccc(Cl)cc1Cl 8732511 DYDSKVFSDMOTRW-NSHDSACASA-N 423.252 3.448 0 40 HGAB Cc1ccc(SCC(=O)OCC(=O)NCC(=O)Nc2c(C)cc(C)cc2C)cc1 9213004 LAJNCQBPZCKFGH-UHFFFAOYSA-N 414.527 3.310 0 40 HGAB C[C@H]1c2cccc(C(=O)Nc3ccc(S(=O)(=O)Nc4ncccn4)cc3)c2O[C@@H]1C 9468124 UDYLJKACKWQMKR-ZIAGYGMSSA-N 424.482 3.414 0 40 HGAB Cc1cc(C)nc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)n1 11027248 KMBOTEBXXCDJPG-UHFFFAOYSA-N 408.911 3.174 0 40 HGAB O=C(CNc1cccc(Br)c1)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1 11113623 WJRBNNBWFZAEHZ-QGZVFWFLSA-N 423.332 3.081 0 40 HGAB CCOC(=O)C1(C[C@@H]2CC(c3ccc(F)cc3)=NO2)CCN(C[C@@H]2CCOC2)CC1 12156684 BDJJGWUCPMHXPT-PXNSSMCTSA-N 418.509 3.391 0 40 HGAB CCOC(=O)[C@@]12CC=CCN(C(=O)[C@@H](C)Sc3nc(C)cc(C)n3)[C@@H]1CCC2 12275327 SIGTZPNRZHEATQ-CBGDNZLLSA-N 403.548 3.465 0 40 HGAB Cc1cccc(OCCNC(=O)c2ccc(S(=O)(=O)N3CCCC[C@H]3C)cc2)c1 12777280 JZXPIZQLIFNLOU-GOSISDBHSA-N 416.543 3.367 0 40 HGAB CN(C)C1(CNC(=O)Cc2cc3c(cc2Br)OCCO3)CCCCC1 12899192 PGRBTWWEKIYSSL-UHFFFAOYSA-N 411.340 3.144 0 40 HGAB O=C(c1csc2c1CCCC2)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 12935182 YAMOSZCQMYHQBW-UHFFFAOYSA-N 424.975 3.427 0 40 HGAB COc1ccc(CN2CCN(S(=O)(=O)c3ccc(Cl)cc3F)CC2)cc1F 12945338 GKABZRUIYBCFDQ-UHFFFAOYSA-N 416.877 3.133 0 40 HGAB CCCCc1nn2c(=O)cc(COC(=O)COc3ccc(C)c(C)c3)nc2s1 15734079 AJHWNMCQQXAXMZ-UHFFFAOYSA-N 401.488 3.233 0 40 HGAB C[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1)c1ccncc1 17792084 ZZOHVVXZGSELQQ-INIZCTEOSA-N 407.495 3.324 0 40 HGAB N[C@H]1N=CNC2=C1[C@@H](c1ccc(Br)cc1)c1c(c3ccccc3oc1=O)O2 19320117 YJVGAFBGULKMPT-KSSFIOAISA-N 424.254 3.208 0 40 HGAB biogenic CCCC(=O)N1CCC[C@H](c2nc(O)c3c(n2)CCN(Cc2cccs2)C3)C1 19501319 BURUEWBWZCTNMV-HNNXBMFYSA-N 400.548 3.308 0 40 HGAB CNC(=O)[C@]1(Cc2cc(-c3ccccc3)no2)CCN(C(=O)Cc2ccccc2)C1 19703408 IFKQPRBVNQNZMF-DEOSSOPVSA-N 403.482 3.092 0 40 HGAB Cc1nn2c([C@H]3CN(C(=O)CC4CCCC4)CCO3)ccnc2c1Cn1ccnc1C 19707808 KDBXKBDHDQLZER-OAQYLSRUSA-N 422.533 3.071 0 40 HGAB Cc1nc(CC(=O)N[C@H]2CCc3ccc(S(=O)(=O)NC4CCCC4)cc32)cs1 19749520 GCMRKHGENPIJBR-IBGZPJMESA-N 419.572 3.019 0 40 HGAB COC(=O)[C@H](CCSC)NC(=O)N1CCc2nc[nH]c2[C@@H]1c1cccc(Cl)c1 20719356 PUKXFBWYIOKBGX-RDJZCZTQSA-N 422.938 3.015 0 40 HGAB O=C(c1cccs1)[C@H]([C@@H](c1ccc(Cl)cc1)N1CCOCC1)N1CCOCC1 21548814 VKCYIXOKAGLMNZ-UXHICEINSA-N 420.962 3.359 0 40 HGAB CCc1ccccc1NC(=O)CN1CCN(Cc2nc(-c3ccc(C)cc3)no2)CC1 22841720 MYDIKTPECKPBGV-UHFFFAOYSA-N 419.529 3.364 0 40 HGAB CCOC(=O)C1CCN([C@H](c2ccccc2)c2sc3nc(C)nn3c2O)CC1 23156772 SFEOWDFNRFURBR-MRXNPFEDSA-N 400.504 3.169 0 40 HGAB O=C(c1ccc(OC[C@@H]2CCCO2)cc1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 23763374 FISMREXKQZRUKA-QHCPKHFHSA-N 422.525 3.137 0 40 HGAB CCOc1ccc(/C=C/C(=O)O[C@@H](C)C(=O)NCC(=O)Nc2c(C)cccc2C)cc1 24660936 IWWOYVQEVRQKBC-BJRSVTDJSA-N 424.497 3.402 0 40 HGAB Cc1noc(C)c1S(=O)(=O)Oc1ccccc1C(=O)c1cnn(-c2ccccc2)c1 25650611 XJZSGLKZJSTZMJ-UHFFFAOYSA-N 423.450 3.476 0 40 HGAB Cc1c(Cc2ccccc2)c(=O)nc2s/c(=C\c3c(F)cccc3Cl)c(=O)n12 27022846 JORUHDUWNCCGQC-WQRHYEAKSA-N 412.873 3.356 0 40 HGAB COC(=O)C[C@@H](NC(=O)COc1ccc2c(c1)CCC(=O)N2)c1ccc(Cl)cc1 31052429 BERFIMOBXLCWRT-GOSISDBHSA-N 416.861 3.024 0 40 HGAB CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)N(C)Cc2ccc(F)cc2)cc1 32674319 JRCOWAJACUGHBS-UHFFFAOYSA-N 420.506 3.088 0 40 HGAB O=C(NCc1ccc(Cn2ccnc2)cc1)[C@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 32795816 BSFQOAIJZOLCSD-QFIPXVFZSA-N 414.509 3.089 0 40 HGAB O=C(Nc1ccccc1)[C@H]1CSCN1S(=O)(=O)C1=Cc2ccccc2CC1 32825702 SOQRYMRKWJQGIH-LJQANCHMSA-N 400.525 3.317 0 40 HGAB O=C(CSc1nccc(-c2ccc3c(c2)OCO3)n1)NCc1ccc2c(c1)OCO2 39393071 KGFHTJUJUKTQSL-UHFFFAOYSA-N 423.450 3.010 0 40 HGAB Cc1c([C@H](C)NC(=O)c2ccc(N3C(=O)CCC3=O)cc2)cnn1-c1ccc(F)cc1 40071067 ACMZXPCZYNHFSV-AWEZNQCLSA-N 420.444 3.464 0 40 HGAB C[C@]1(c2ccccc2C(F)(F)F)NC(=O)N(CC(=O)N2CCc3ccccc32)C1=O 40116681 HZWBJKSYZPJXDA-HXUWFJFHSA-N 417.387 3.062 0 40 HGAB O=C(NCCCCN1CCN(c2ccccc2)CC1)c1ccc(-n2cccn2)cc1 40155914 NRVHZLTWTWFRQL-UHFFFAOYSA-N 403.530 3.205 0 40 HGAB CC(=O)c1ccc(N2CCN(C(=O)c3nnn(-c4ccc(Cl)cc4)c3C)CC2)cc1 51317512 CMIMWIKTTLGJGL-UHFFFAOYSA-N 423.904 3.394 0 40 HGAB O=C(C[C@@H]1C(=O)OCCN1Cc1ccccc1)Nc1ccc(Br)cc1 54253923 FUPLCJVYROLYSO-QGZVFWFLSA-N 403.276 3.205 0 40 HGAB COc1cc(NC(=O)NCc2ccc(-n3cccn3)cc2)ccc1N1CCCC1=O 69879960 VPOHZKHEOJKBEK-UHFFFAOYSA-N 405.458 3.329 0 40 HGAB Cc1cc(Nc2nc(C)cc(C)n2)cc([C@H]2CCCN(C(=O)CN3CCCC3)C2)n1 72374934 IGSWKSLPXQTAFO-IBGZPJMESA-N 408.550 3.342 0 40 HGAB CN(C)c1ncc(-c2cccc(F)c2)c([C@H]2CCCN(C(=O)c3ccnn3C)C2)n1 72376663 BJEZLSPAXQYNCZ-INIZCTEOSA-N 408.481 3.102 0 40 HGAB Cc1ccc(S(=O)(=O)NC(C)C)cc1C(=O)OCC(=O)c1cccc(Cl)c1 89643164 JTJKIYZBMMQZGY-UHFFFAOYSA-N 409.891 3.375 0 40 HGAB COc1ccc([C@H](C)NC(=O)N[C@@H](C)c2cccc(NS(C)(=O)=O)c2)cc1OC 89905253 ZMCWMEZTJPLSAN-KBPBESRZSA-N 421.519 3.197 0 40 HGAB COC(=O)c1ccc(C(=O)NCCn2nc(-c3ccccn3)c3c2CCCC3)cc1 96121500 IWYWCDIYXQOCQV-UHFFFAOYSA-N 404.470 3.041 0 40 HGAB CCN1CC[C@@]2(CN(CC(C)C)CC23CCN(C(=O)Cc2ccccc2)CC3)C1=O 96262641 LTTQAAHTEYQNJP-RUZDIDTESA-N 411.590 3.048 0 40 HGAB NS(=O)(=O)c1cc(C(=O)Nc2cccc(Br)c2)c(F)cc1Cl 98073300 LIPNDLYCNRBNSA-UHFFFAOYSA-N 407.648 3.141 0 40 HGAB CC(=O)N1CCc2nc3cc([C@H]4CCCCN4Cc4cccs4)nn3c(O)c2C1 100242896 GEFJECFSSKEZCZ-LJQANCHMSA-N 411.531 3.128 0 40 HGAB O=C(NCc1cc(F)cc(F)c1)c1c(O)c2cccnc2n(-c2ccccc2)c1=O 101301794 AJGTWOXOFZABQL-UHFFFAOYSA-N 407.376 3.300 0 40 HGAB CCCCN(C(=O)C[C@H]1C[C@H]2CC[C@H]1C2)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 103249719 JEFLMEBHQDWNEN-GBESFXJTSA-N 424.545 3.127 0 40 HGAB O=C(NCc1ccc2c(c1)OCO2)[C@@H]1Cc2ccccc2CN1Cc1ccc(O)cc1 199418832 OJPVUDUPYSFRIG-QFIPXVFZSA-N 416.477 3.364 0 40 HGAB CC[C@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)COc1ccc(OC)cc1 222899699 OLSSTSVLVYABFE-JOCHJYFZSA-N 412.530 3.449 0 40 HGAB CN(c1ccc2sc(C(=O)Nc3ccc4c(c3)OCO4)cc2c1)S(C)(=O)=O 223072806 QWTCWQLCPOVDME-UHFFFAOYSA-N 404.469 3.278 0 40 HGAB COc1ccc(OC)c(NS(=O)(=O)c2ccc3c(c2)sc(=O)n3C(C)C)c1 225703133 MAJFJTNTPCVEQU-UHFFFAOYSA-N 408.501 3.462 0 40 HGAB CCOC(=O)c1cccc(NC(=S)NCc2nc(-c3cccc(OC)c3)no2)c1 225822692 XEILAIXWWTVWCM-UHFFFAOYSA-N 412.471 3.409 0 40 HGAB COc1ccc(C2(C(=O)N3CCC[C@@H](n4cc(C(N)=O)cn4)CC3)CCCCC2)cc1 257266666 MDZGUTUESDFORG-HXUWFJFHSA-N 424.545 3.446 0 40 HGAB Cn1cc(-c2ccc3nnc(C4CCN(Cc5cc(F)cc(F)c5)CC4)n3n2)cn1 306124071 BFABLBITKNFRRW-UHFFFAOYSA-N 409.444 3.183 0 40 HGAB CC(C)c1nc2c(s1)CN(Cc1ccoc1)CC21CCN(S(C)(=O)=O)CC1 306132088 KXZRGZVVZFYRQO-UHFFFAOYSA-N 409.577 3.169 0 40 HGAB O=C(C(=O)N1CCCC1)c1cn(CC(=O)N2CCCc3ccccc32)c2ccccc12 408564883 AQHUUKXLDWTYLQ-UHFFFAOYSA-N 415.493 3.426 0 40 HGAB C[C@H](NC(=O)COC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1)c1ccccc1 408653841 FZKNTJSOCWOCBB-HOCLYGCPSA-N 400.862 3.114 0 40 HGAB O=C(N[C@@H]1C(=O)N/[N+](=C\c2ccccc2Cl)[C@H]1c1ccccc1)c1ccccc1 409060048 VAKLZXHPWMTFTJ-UGYRXPJGSA-O 404.877 3.356 0 40 HGAB O=C(COC(=O)c1cccc(N2C(=O)C=CC2=O)c1)Nc1ccc(Cl)c(Cl)c1 409225906 SONCZSWXISHEFE-UHFFFAOYSA-N 419.220 3.218 0 40 HGAB C[C@@]1(NC(=S)Nc2nc(-c3ccc(Cl)cc3)cs2)CCS(=O)(=O)C1 575425201 QPLYFGIDFSHBGB-OAHLLOKOSA-N 401.966 3.327 0 40 HGAB O=C([C@H]1Cc2ccccc2CO1)N1CC[C@@H](c2ccccc2Cl)S(=O)(=O)CC1 575618348 VJNOJDFUQJULSV-UXHICEINSA-N 419.930 3.170 0 40 HGAB COC1=C(C)C(=O)O/C1=C1/O[C@@H]2CCCN3/C(=C4\C[C@H](C)C(=O)O4)CC[C@H]3[C@H]2[C@@H]1C 1560411826 ILSVLZCWCWOWCR-IBEOKPBKSA-N 415.486 3.379 0 40 HGAB C=CC(=O)Nc1ccc(C(=O)N2CCN(C(=O)C(F)(F)F)C3(CCCCC3)C2)cc1 1631683507 GETLZXSISSJZMS-UHFFFAOYSA-N 423.435 3.361 0 40 HGAB CSc1nc(C(F)F)cc(N2CCN(Cc3c4c(nn3C)CCCC4)CC2)n1 1888869507 JXLSDEKWDWPNCR-UHFFFAOYSA-N 408.522 3.071 0 40 HGAB CCOc1nc(Nc2ccc([C@H]3Nc4ccccc4O3)cc2)nc(N2CCOCC2)n1 793437 KQVAACBOSXXCHE-IBGZPJMESA-N 420.473 3.354 0 40 HGAB C[C@H]1Cc2ccccc2N1C(=O)Cn1nnc(-c2ccccc2NC(=O)C2CCC2)n1 1339673 ITWRZPDCODOWNV-HNNXBMFYSA-N 416.485 3.057 0 40 HGAB aggregator CCOc1ccc(NS(=O)(=O)c2cccc(C(=O)O)c2)cc1Br 3239662 RACVYGPEKAYHSA-UHFFFAOYSA-N 400.250 3.347 0 40 HGAB CCN1C(=S)N[C@H](c2ccc(Br)cc2)C(C(=O)OCCOC)=C1C 3263898 MGYSPNWGMPPFDN-OAHLLOKOSA-N 413.337 3.164 0 40 HGAB CCOc1ccc(-n2c(SCC(=O)N3CCCC3)nc3ccccc3c2=O)cc1 3267387 YMZFGCXWPXSMDC-UHFFFAOYSA-N 409.511 3.499 0 40 HGAB CC(C)[C@@H](NC(=O)c1c(F)cccc1F)C(=O)NC[C@@H](c1ccccc1)N(C)C 3290522 JTVNYAMWDNPQQZ-AZUAARDMSA-N 403.473 3.138 0 40 HGAB Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)Nc2ccc3c(c2)OCO3)cc1 3398624 MOQUMZXQAQDRMN-QGZVFWFLSA-N 404.488 3.055 0 40 HGAB O=C(/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccc(Cl)cc1 3549323 TXTUMXNRDHGRLL-XCVCLJGOSA-N 406.891 3.013 0 40 HGAB CCOc1ccc(N2C(=O)N(c3cccc(Cl)c3)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 4510347 XCRNOGFWVPAVHH-ZWKOTPCHSA-N 406.891 3.351 0 40 HGAB COc1cc([C@@H]2CC(=O)N(c3ccc(Cl)cc3)C3=C2C(=O)OC3)cc(OC)c1O 4519958 MHHGWLZSMAKKAV-AWEZNQCLSA-N 415.829 3.394 0 40 HGAB O=C1C[C@@H](Sc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2)[C@@H]2CO[C@H]1O2 4577726 PBCOBQHRAKETTK-GUTXKFCHSA-N 400.353 3.477 0 40 HGAB C[C@@H](c1ccccc1)N1C(=O)N[C@@](NC(=O)CCc2ccccc2)(C(F)(F)F)C1=O 4686619 LPXRIJMNCFASEZ-VBKZILBWSA-N 419.403 3.307 0 40 HGAB O=C(COc1ccc(S(=O)(=O)Nc2ccccc2)cc1)NCCc1ccccc1 4742092 GLTCYPFGWJJHPG-UHFFFAOYSA-N 410.495 3.225 0 40 HGAB CC(C)NC(=O)Cn1c(SCC(=O)N2[C@@H](C)CCC[C@@H]2C)nc2ccccc21 4859278 CUWFIZRSYSYQIK-HOTGVXAUSA-N 402.564 3.443 0 40 HGAB CCOC(=O)c1cccc(NC(=O)CN2CCC(n3nnc4cc(C)ccc43)CC2)c1 4895342 YASSHGAQZHKHSW-UHFFFAOYSA-N 421.501 3.192 0 40 HGAB COc1ccccc1NC(=O)CSc1nc(=O)n(Cc2ccco2)c2c1CCC2 4940043 YYRUFMUUEZRYHK-UHFFFAOYSA-N 411.483 3.113 0 40 HGAB COc1ccc(N(CC(=O)NC2CCCC2)S(=O)(=O)c2ccc(C)cc2)cc1 4996123 JOPPEASBWMGGAO-UHFFFAOYSA-N 402.516 3.258 0 40 HGAB CCOc1ccc(N2C[C@H](NC(=O)c3cccc(Br)c3)CC2=O)cc1 5195880 PTMFKUHLBTVSEK-OAHLLOKOSA-N 403.276 3.383 0 40 HGAB NC(=O)c1c(NC(=O)COC(=O)c2ccc(C(F)(F)F)cc2)sc2c1CCC2 5979725 TXWJRXPEPXREFN-UHFFFAOYSA-N 412.389 3.150 0 40 HGAB COc1ccc(-c2nnc3sc(NC(=O)CCc4ccccc4)nn23)cc1OC 6818163 GQBWMQSIOMGIRN-UHFFFAOYSA-N 409.471 3.441 0 40 HGAB CCOC(=O)c1c(NC(=O)Cc2ccc(OC)cc2)sc2c1CCN(CC)C2 7614060 KFTGDOURFDYCQI-UHFFFAOYSA-N 402.516 3.493 0 40 HGAB CC(C)(C)C(=O)NCc1ccc(C(=O)Cn2cnc3cc(F)ccc3c2=O)s1 8486134 CIJCNZWNTYRHBP-UHFFFAOYSA-N 401.463 3.142 0 40 HGAB COc1ccc(Br)cc1S(=O)(=O)NCCOc1cccc(C)c1 8508651 HTLRAWZTSXGBGS-UHFFFAOYSA-N 400.294 3.123 0 40 HGAB Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)N(C)Cc3ccc(F)cc3)s2)cc1 8594471 RIZBQNQWGIFDEP-UHFFFAOYSA-N 420.491 3.059 0 40 HGAB aggregator CCC(=O)N1CCCc2cc(NS(=O)(=O)c3ccc(NC(C)=O)cc3)ccc21 8768692 MVIPRXALHFXWNV-UHFFFAOYSA-N 401.488 3.135 0 40 HGAB CCC1=Nc2ccccc2N=C(NC(=O)CSc2nnnn2C)[C@H]1c1ccccc1 9196258 PPQVFFHYOKVFLN-IBGZPJMESA-N 419.514 3.429 0 40 HGAB O=C(NCc1ccc(N2CCCC2=O)cc1)C1CCN(C(=O)Nc2ccccc2)CC1 9885009 GXCXIBOIZQFZRW-UHFFFAOYSA-N 420.513 3.374 0 40 HGAB CCOC(=O)c1ccc(NC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)c(C)c1 10446783 IENOFKCTCFHFBT-UHFFFAOYSA-N 424.906 3.230 0 40 HGAB COc1ccc([C@@H]2CCCN2S(=O)(=O)CCn2cnc3ccccc32)c(OC)c1 10517074 ZLMAJQFIPLBBMJ-IBGZPJMESA-N 415.515 3.220 0 40 HGAB COc1cccc(N(CC(=O)N2CCC[C@@H](C)C2)S(=O)(=O)c2ccccc2)c1 10541138 OQUXLLOOZWRMOH-QGZVFWFLSA-N 402.516 3.149 0 40 HGAB O=C(CNc1cccc(C(F)(F)F)c1)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1 11125118 AAVASZXSMDRWAI-QGZVFWFLSA-N 412.433 3.338 0 40 HGAB CCc1ccccc1NC(=O)CN(C)C(=O)[C@H](C)N(C)CCOc1ccccc1C 11477525 GVHQZKYUCCYTLW-IBGZPJMESA-N 411.546 3.354 0 40 HGAB O=C(c1cc(S(=O)(=O)N2CCCC2)ccc1Cl)N1CCc2sccc2C1 12216728 LSMNEBFZTGGDBM-UHFFFAOYSA-N 410.948 3.385 0 40 HGAB CCc1onc(C)c1C(=O)N1CCC(c2nc3ccc(F)cc3cc2C(N)=O)CC1 12276274 XIQFEZFPIVJSCK-UHFFFAOYSA-N 410.449 3.351 0 40 HGAB Cc1[nH]c(SCC(=O)N2CCN(Cc3ccncc3)CC2)nc1Cc1ccccc1 12506894 TWKABDMSCUVVID-UHFFFAOYSA-N 421.570 3.140 0 40 HGAB Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)/C=C/c3ccsc3)CC2)c(C)c1 12766401 LTIRTFPBZYNXAR-SNAWJCMRSA-N 404.557 3.220 0 40 HGAB CC(C)CCC[C@H](C)NC(=O)CNC(=O)CNC(=O)c1ccc(Cl)cc1Cl 12768926 FWWBFJAKGRDKLC-ZDUSSCGKSA-N 416.349 3.170 0 40 HGAB Cc1cccc(OCCNC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)c1 12890487 UOVUZCJDLBIHAP-UHFFFAOYSA-N 422.934 3.242 0 40 HGAB CC1CCN(C(=O)[C@@H](C)Sc2nnc(-c3ccccc3Br)n2N)CC1 13114948 XNTTYXHUOTWXIG-GFCCVEGCSA-N 424.368 3.161 0 40 HGAB O=C(NCc1ccccc1)[C@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1 13680635 VWOUMUSNNPHWDC-JOCHJYFZSA-N 422.506 3.100 0 40 HGAB Cc1cc(OC(=O)[C@H]2CC(=O)N(c3cccc(C)c3C)C2)ccc1N1C(=O)CCC1=O 13857243 BTVFJUGNGIDEDM-KRWDZBQOSA-N 420.465 3.224 0 40 HGAB CCC[C@H](C)NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 14155060 OTZGPAWWTLFEDM-HNNXBMFYSA-N 420.531 3.447 0 40 HGAB O=C1CCSc2ccc(C(=O)N3CCC(C(=O)N4CCCCCC4)CC3)cc2N1 14183885 GVRANCYVZFAERH-UHFFFAOYSA-N 415.559 3.376 0 40 HGAB CSCC[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)Nc1cc(C)cc(C)c1 14226779 NQWFASIYZCSQSO-QGZVFWFLSA-N 410.536 3.481 0 40 HGAB O=C(COc1ccc(S(=O)(=O)N2CCCCC2)cc1)NCc1ccc(Cl)cc1 16401496 CSIAPJSUZOBTGL-UHFFFAOYSA-N 422.934 3.210 0 40 HGAB COc1ccccc1CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 18076245 JILBTYZGFMCUBP-UHFFFAOYSA-N 422.934 3.405 0 40 HGAB O=C1NCCN(C(=O)c2cccc(F)c2)C[C@@H]1Cc1ccccc1-c1ccncc1 19348573 BMXASIXMPFRJDW-FQEVSTJZSA-N 403.457 3.319 0 40 HGAB CCCN1CCN(C(=O)COC)C[C@@H](Cc2ccc(-c3cccs3)cc2)C1=O 19502863 JTNYEGXBGIYYIR-LJQANCHMSA-N 400.544 3.301 0 40 HGAB CNC(=O)[C@@]1(Cc2ccccc2-c2ccccc2)CCN(C(=O)Cc2cccnc2)C1 19591530 CYRPSFPQQSSNHD-AREMUKBSSA-N 413.521 3.499 0 40 HGAB COCCC(=O)N[C@H](c1ccccn1)[C@@H]1CCCN(Cc2cccc(F)c2F)C1 19593235 HYCNNXBSAHFYPV-VGSWGCGISA-N 403.473 3.466 0 40 HGAB CNS(=O)(=O)c1ccc(F)c(C(=O)Nc2cccc(CN3CCCC[C@H]3C)c2)c1 19659631 VRDPBBQOCQEQBL-OAHLLOKOSA-N 419.522 3.361 0 40 HGAB CC(C)(O)C(=O)N1CCC(c2ccc3c(NCc4ccccc4F)n[nH]c3n2)CC1 19745155 NPRKNBCWPYGKJT-UHFFFAOYSA-N 411.481 3.186 0 40 HGAB C[C@@H](NC(=O)COc1ccc(Cl)cc1S(=O)(=O)N1CCCC1)c1ccccc1 19935217 PABIABBUANCRMU-OAHLLOKOSA-N 422.934 3.381 0 40 HGAB COc1ccccc1[C@@H](C)NC(=O)CCc1ccc(S(=O)(=O)NCC(C)C)cc1 20023526 SJGLLRQLKWEVNC-QGZVFWFLSA-N 418.559 3.440 0 40 HGAB O=C(c1cc(=O)[nH]c2ccccc12)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 21532990 LNNGAUUGGICBOP-UHFFFAOYSA-N 416.403 3.294 0 40 HGAB COc1ccc(-c2cc(C(=O)NC[C@H](c3ccc(C)cc3)N3CCOCC3)no2)cc1 21805339 KLIPCKCRMKTFFL-JOCHJYFZSA-N 421.497 3.462 0 40 HGAB Cn1cnn(CN2CCCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c1=S 22084654 PPNJJJHFUKAUOC-UHFFFAOYSA-N 406.865 3.188 0 40 HGAB COc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2ccc(C)cc2C)c1 22229720 KWWOPCCHDKBCFJ-LJQANCHMSA-N 402.516 3.412 0 40 HGAB CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)cc1C 22268079 NNIHXSVVDMSPJA-IBGZPJMESA-N 418.559 3.198 0 40 HGAB Cc1cccc(C)c1N(CC(=O)NCc1cccc(OC(C)C)c1)S(C)(=O)=O 22338498 KYEVWZSNCUDXJT-UHFFFAOYSA-N 404.532 3.173 0 40 HGAB COc1ccc(C(=O)N[C@@H](C)c2cc(C)c(C)cc2C)cc1S(=O)(=O)N(C)C 22537843 RYVYLLOAGHZVBJ-INIZCTEOSA-N 404.532 3.362 0 40 HGAB Cc1ccc(NC(=O)c2ccc(S(=O)(=O)NCCc3cccs3)cc2)nc1 24567488 XSSBZGYOQYSUFT-UHFFFAOYSA-N 401.513 3.225 0 40 HGAB C[C@@H](C(=O)Nc1ccc(NC(=O)Cc2c(F)cccc2Cl)cc1)n1cncn1 24704669 SLHOOJWATWFION-LBPRGKRZSA-N 401.829 3.452 0 40 HGAB COc1cc(NC(=O)Cc2ccc(-n3cccc3)cc2)c(C(=O)N(C)C)cc1OC 25222504 WZEFRGOQJRKFBW-UHFFFAOYSA-N 407.470 3.378 0 40 HGAB CC(C)(C)C(=O)N1CCC(C(=O)Nc2nc3ccccc3nc2N2CCCC2)CC1 26122894 UFPNUBYBIDVZPZ-UHFFFAOYSA-N 409.534 3.453 0 40 HGAB COC(=O)c1ccc(CN(C)C(=O)C2CCN(C(=O)c3cccs3)CC2)cc1 30208573 CEJVTAFUHVDUQD-UHFFFAOYSA-N 400.500 3.046 0 40 HGAB CCOc1ccc([C@H]2CCCN2CN2C(=O)C(=O)N(Cc3cccs3)C2=O)cc1 30282571 BCGQXYCXDBWVFJ-GOSISDBHSA-N 413.499 3.232 0 40 HGAB COc1c(C)cnc(CN2CCN([C@H](C(=O)O)c3c(C)[nH]c4ccccc34)CC2)c1C 31811172 FXJBPRPUTHLKMP-QFIPXVFZSA-N 422.529 3.440 0 40 HGAB CCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1nc(-c2ccc(OC)cc2)c(C)s1 32784613 FAKQEBNSBMJVJU-INIZCTEOSA-N 423.560 3.270 0 40 HGAB CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)[C@H](C)Oc1ccccc1Cl 32796485 PDPUMIZEGBSFDV-AWEZNQCLSA-N 418.877 3.366 0 40 HGAB COc1ccc(Nc2nc(COC(=O)c3ccc4c(c3)C(=O)N(C)C4=O)cs2)cc1 32946353 MNJTUBWCEKSHAG-UHFFFAOYSA-N 423.450 3.478 0 40 HGAB CC(C)[C@@H](NS(=O)(=O)c1ccccc1)C(=O)OCc1cn2cc(Cl)ccc2n1 32954655 DBRRAHBWACBRJD-GOSISDBHSA-N 421.906 3.034 0 40 HGAB COc1cc(OC)cc(C(=O)NCCN2C(=O)S/C(=C/c3cccs3)C2=O)c1 33414889 DTSNFUOLKIXMIH-LFIBNONCSA-N 418.496 3.232 0 40 HGAB COc1ccc(Cl)cc1C(=O)Nc1cc(C(=O)N2CCC(C)CC2)cn(C)c1=O 36685881 LUXLPOCDLIXLKC-UHFFFAOYSA-N 417.893 3.172 0 40 HGAB C[C@H](C(=O)NCc1ccccc1)S(=O)(=O)Cc1cc(Cl)c2c(c1)OCCCO2 40106131 XAXALAIQOPGIAH-CQSZACIVSA-N 423.918 3.121 0 40 HGAB O=C(CCn1c(=S)[nH]c2ccccc2c1=O)NCCOc1cccc(Cl)c1 40113645 MXDFJNZTHAIJPX-UHFFFAOYSA-N 403.891 3.298 0 40 HGAB O=S(=O)(c1cccnc1)N1CCN(Cc2csc(C3CCCCC3)n2)CC1 40154000 DPXUWVRSCGJAIM-UHFFFAOYSA-N 406.577 3.092 0 40 HGAB CCSc1ccccc1NC(=O)[C@@H]1CN(S(=O)(=O)CC)c2ccccc2O1 44844817 LIMVLKFBOXLTJH-KRWDZBQOSA-N 406.529 3.354 0 40 HGAB Cc1ccc(NC(=O)N2CCC[C@@H](NS(C)(=O)=O)C2)c(OCc2ccccc2)c1 48264626 XBNJELVPJHTMMW-GOSISDBHSA-N 417.531 3.120 0 40 HGAB O=S(=O)(NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1)N1CCCCCC1 56124626 VOGPMPYQUIGGOA-UHFFFAOYSA-N 419.513 3.380 0 40 HGAB O=c1c2ncccc2n(Cc2cccc(C(F)(F)F)c2)c(=O)n1Cc1ccco1 57292968 JBPLDHCAWGAINM-UHFFFAOYSA-N 401.344 3.267 0 40 HGAB CCN(CC)C(=O)N1CCC(C(=O)N[C@@H](C(=O)OC(C)(C)C)c2ccccc2)CC1 95418680 XMJUEGDKORABGV-LJQANCHMSA-N 417.550 3.359 0 40 HGAB O=S(=O)(Cc1ccccc1)N1C[C@@H]2CN(Cc3ccc(C(F)(F)F)cc3)[C@@H]2C1 96080561 IFPJCIKFNYVVTI-PKOBYXMFSA-N 410.461 3.351 0 40 HGAB O=C1CN(S(=O)(=O)c2cccc(Cl)c2F)c2cc(Br)ccc2N1 97164887 ZZDAXOHVSOWRIA-UHFFFAOYSA-N 419.659 3.389 0 40 HGAB COc1ccc(C(=O)NC2CCN(c3cc(-c4ccccc4)n[nH]3)CC2)c(OC)c1 98212581 ACGDQHTZKHMAKI-UHFFFAOYSA-N 406.486 3.493 0 40 HGAB COc1nn(Cc2cc(O)n3nc(-c4ccccc4)c(C)c3n2)c(=O)c2ccccc12 100223793 LNEMXRCCRCCGQN-UHFFFAOYSA-N 413.437 3.177 0 40 HGAB Cc1cccc(C)c1N1CCN(S(=O)(=O)C[C@@]23CC[C@H](CC2=O)C3(C)C)CC1 100484919 AESDDWZZXFHKGZ-GCJKJVERSA-N 404.576 3.151 0 40 HGAB CC(C)[C@@H](C(=O)OCC(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 101145935 QVYDPTHOKUMAHH-HLQCWHFUSA-N 417.889 3.122 0 40 HGAB O=C(NC1CC1)c1c(NC(=O)[C@H]2[C@H]3C=C[C@H](CC3)[C@H]2C(=O)O)sc2c1CCCC2 102635225 UNFDFCNSHHFYHV-HJSHSUPBSA-N 414.527 3.371 0 40 HGAB Cc1ccc(Cc2cnc(NC(=O)CN3C(=O)[C@H]4CC=CC[C@H]4C3=O)s2)cc1F 102805227 LRQGSDQUOPTAJH-IYBDPMFKSA-N 413.474 3.071 0 40 HGAB CCN([C@@H]1CCN([C@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc2c(c1)C(=O)OC2 106132599 ZRNZAWGGLVDCSL-VQIMIIECSA-N 414.527 3.203 0 40 HGAB CC(C)OC(=O)CN1C(=O)S/C(=C/c2cc(Br)ccc2O)C1=O 205706318 YKGOKDYMJSJAEE-WUXMJOGZSA-N 400.250 3.143 0 40 HGAB CCn1c(=O)oc2cc(S(=O)(=O)Nc3ccc(OC)c(OC)c3)c(Cl)cc21 223364656 GNZOXIQDSDQTAZ-UHFFFAOYSA-N 412.851 3.086 0 40 HGAB COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccccn1 223711791 JTLPPRIZHQUELE-RTWAWAEBSA-N 421.526 3.193 0 40 HGAB Cc1cc(C)cc(OCCNC(=O)c2cc(N(C)S(C)(=O)=O)ccc2Cl)c1 224105964 GBLTUVGTLYMNJC-UHFFFAOYSA-N 410.923 3.161 0 40 HGAB CCC[C@H](C)NC(=O)c1ccc(OC)c(CN(C)S(=O)(=O)c2ccccc2)c1 224773733 VJINSBINAWNIHI-INIZCTEOSA-N 404.532 3.434 0 40 HGAB COc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](CC(C)C)c2ccccc2)cc1 225644946 NTEAJIHSPCJBOD-FQEVSTJZSA-N 404.532 3.219 0 40 HGAB Cc1cccc(C[C@@H]2CCCN(C(=O)c3cccc(OCCN4CCCC4=O)c3)C2)n1 257291924 QJGLWRMZDFGMID-FQEVSTJZSA-N 421.541 3.486 0 40 HGAB Cc1cc(N2C[C@@]3(F)CN(C(=O)c4ccc5c(c4)COC5)C[C@@]3(F)C2=O)c(C)s1 306134431 NMZFDRSFGACQFH-LEWJYISDSA-N 418.465 3.314 0 40 HGAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccccc2OC)cc1Cl 408608666 RTTQSCLHSKHZSM-GFCCVEGCSA-N 412.895 3.053 0 40 HGAB COc1cccc(NC(=O)CSc2nc(O)cc(=O)n2-c2cccc(Cl)c2)c1 408895605 NMXJLDHCCKBRBL-UHFFFAOYSA-N 417.874 3.331 0 40 HGAB O=C(O)CN1C(=O)S/C(=C/c2ccc(OCc3cccc(C(=O)O)c3)cc2)C1=O 409130365 HLNVDBLGMYYUET-CXUHLZMHSA-N 413.407 3.085 0 40 HGAB COC(=O)c1c(NC(=O)c2ccc(CN3CCOCC3)cc2)sc2c1CCCC2 409140054 DDDBUZIEQZVUGZ-UHFFFAOYSA-N 414.527 3.498 0 40 HGAB CC(C)COC(=O)CN1C(=O)S/C(=C/c2ccc(O)c(Br)c2)C1=O 409201124 LVUQUIZDWMXGPJ-AWNIVKPZSA-N 414.277 3.390 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N(C)Cc3ccccc3)C2)cc1C 409375942 RFPFMURYUJKFFL-IBGZPJMESA-N 416.543 3.063 0 40 HGAB CC(C)c1ccc(CN2CCC3(CC2)CC(NC(=O)[C@H]2CCCS2(=O)=O)C3)cc1 2056225829 COQLMHXTJMAMGM-OAQYLSRUSA-N 418.603 3.248 0 40 HGAB CCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2ccc(=O)oc2c1 627858 STSRQBFUXMAMMY-GOSISDBHSA-N 415.467 3.154 0 40 HGAB CCc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 675270 MYCHUJJLUILROK-UHFFFAOYSA-N 402.516 3.441 0 40 HGAB CCc1nnc(NC(=O)CSc2nnc([C@@H](C)Oc3ccccc3)n2C)s1 4816317 ZLGQRTHRDMJZOB-LLVKDONJSA-N 404.521 3.100 0 40 HGAB CCC(C)(C)NC(=O)CN(C(=O)CCC(=O)Nc1ccccn1)c1cccc(F)c1 4848246 YZGBFOAEIODQPG-UHFFFAOYSA-N 414.481 3.277 0 40 HGAB COC(=O)C1=C(CSc2nnc(C)s2)NC(=O)N[C@@H]1c1ccccc1Cl 5018365 CXHLBFPRVYVEMT-CYBMUJFWSA-N 410.908 3.073 0 40 HGAB COc1ccc(C=O)cc1OCC(=O)Nc1cccc(I)c1 5294003 NDUXXZPBTJFAEX-UHFFFAOYSA-N 411.195 3.130 0 40 HGAB COc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCCN(C)C)[C@@H]3c1cccc(F)c1 5345824 SDBNLPOFUPYXJU-HXUWFJFHSA-N 410.445 3.438 0 40 HGAB COc1ccc(C(=O)N/C(=C/c2cccnc2)C(=O)N2CCCCCC2)cc1OC 5369814 RXRUQTSBAMPAAK-XMHGGMMESA-N 409.486 3.272 0 40 HGAB CC12CC3(C)CC(C)(C1)CC(C(=O)NCCc1ccc(S(N)(=O)=O)cc1)(C2)C3 5445956 XBANYYOCFSCFRX-UHFFFAOYSA-N 404.576 3.379 0 40 HGAB CC[C@H](C)Nc1sc(S(=O)(=O)CC)nc1S(=O)(=O)c1ccc(C)cc1 6751873 CUALJOVTCCZSQE-LBPRGKRZSA-N 402.563 3.288 0 40 HGAB CCN(c1ccccc1)S(=O)(=O)c1nnc(NC(=O)c2cccc(F)c2)s1 6818271 JZEYQBVFBNDQSE-UHFFFAOYSA-N 406.464 3.145 0 40 HGAB O=C1N[C@]2(CCc3ccccc3C2)C(=O)N1Cc1nnc(-c2ccc(Cl)cc2)o1 6840087 ZCZMVUMBXNGIEX-NRFANRHFSA-N 408.845 3.370 0 40 HGAB COc1ccc(Cl)cc1N1C[C@@H](C(=O)OCC(=O)Nc2ccccc2C)CC1=O 7537117 VEVPDSYNBCZPAE-AWEZNQCLSA-N 416.861 3.192 0 40 HGAB Cc1ccc(C2=NN(C(=O)CN(C)CC(=O)NC(C)(C)C)[C@H](c3ccco3)C2)cc1 7660083 WJYAJVQUOPWSKN-IBGZPJMESA-N 410.518 3.112 0 40 HGAB C[C@@H](OC(=O)c1ccccc1NS(C)(=O)=O)C(=O)C12CC3CC(CC(C3)C1)C2 7780808 BSYKVMBNFFJCIM-BUBBNXEVSA-N 405.516 3.389 0 40 HGAB O=c1c2nnn(-c3ccc(Br)cc3)c2ncn1Cc1ccc(Cl)cc1 8903295 JYXFZFGGDIKNJY-UHFFFAOYSA-N 416.666 3.441 0 40 HGAB Cc1nc2c(=O)n(CC(=O)NCc3ccc(F)cc3)nc(-c3ccccc3)c2s1 8955020 MCFIVFXEBIHDTE-UHFFFAOYSA-N 408.458 3.284 0 40 HGAB COc1cccc(-n2nnc(-c3nsc(NC(=O)c4ccccc4OC)n3)c2C)c1 9638904 KRYZBHPYYQUHGY-UHFFFAOYSA-N 422.470 3.364 0 40 HGAB O=C(O[C@H](C(=O)NC1CC1)c1ccccc1)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 11063021 MRNKWIAVPIMVFF-RXVVDRJESA-N 424.472 3.241 0 40 HGAB O=C(Cn1c(S)nnc1-c1ccc(Cl)cc1)NCCCOc1ccccc1 11089920 GAPBTVZXXGOCTE-UHFFFAOYSA-N 402.907 3.473 0 40 HGAB COc1ccc(F)cc1COC(=O)[C@@H](CC(C)C)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 11679060 MVXLQTOTPAETMK-FGTMMUONSA-N 403.450 3.243 0 40 HGAB O=c1ccc(-c2ccccc2)nn1CCCNS(=O)(=O)c1ccc2c(c1)CCCC2 11738498 FCKBRSNHQIEDQE-UHFFFAOYSA-N 423.538 3.158 0 40 HGAB Cc1ccccc1N1C(=O)CN(c2ccc(C(C)(C)C)cc2)[C@@H]2CS(=O)(=O)C[C@H]21 11903800 XAKFXECOXVUNIJ-NHCUHLMSSA-N 412.555 3.311 0 40 HGAB COc1ccc(C(=O)CSc2nccn(-c3ccc(F)cc3)c2=O)cc1OC 12415273 QIUMUVNIAVVNAB-UHFFFAOYSA-N 400.431 3.364 0 40 HGAB CCCNc1nnc(S[C@@H](C)C(=O)c2ccc(NS(C)(=O)=O)cc2)s1 12548575 DTTSMVYKTSNCDA-JTQLQIEISA-N 400.551 3.095 0 40 HGAB CN(CC(=O)Nc1cccc(S(C)(=O)=O)c1)Cc1ccccc1N1CCCCC1 12554149 AAMDIQNITNBYEF-UHFFFAOYSA-N 415.559 3.151 0 40 HGAB O=C(NCC1CCCCC1)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 12796808 ZNMKCIFWHBVZOP-UHFFFAOYSA-N 400.491 3.062 0 40 HGAB CC[C@H]1c2ccsc2CCN1C(=O)CNC(=O)c1cc(OC)c(OC)c(OC)c1 12943189 DLVTXBLVGRCSLC-HNNXBMFYSA-N 418.515 3.040 0 40 HGAB O=C(Nc1nnc(C2CC2)s1)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 12952705 DWSVHRSDDPGRIF-SNVBAGLBSA-N 407.293 3.170 0 40 HGAB CCOC(=O)c1ccc(C)c(NC(=O)[C@@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)c1 13671666 ISAPJROCHKDOAS-CQSZACIVSA-N 422.478 3.104 0 40 HGAB O=C(COc1ccccc1F)NCCCn1nc(-c2ccc(Cl)cc2)ccc1=O 13801551 CNEGBMOOVTWUNE-UHFFFAOYSA-N 415.852 3.288 0 40 HGAB CCOC(=O)c1sc(NC(=S)NCc2cccnc2)c(C(=O)OCC)c1C 13838684 KZDGVBUEPFFATD-UHFFFAOYSA-N 407.517 3.292 0 40 HGAB CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1cc(C(=O)OC)ccc1C(=O)OC 14397402 ZUJLWTRKHDNIJX-SFHVURJKSA-N 401.415 3.065 0 40 HGAB NC(=O)COc1cccc([C@H]2CC(=O)Nc3c2sc(C(=O)O)c3-c2ccccc2)c1 15107449 KLLQCRQEZJZTLR-OAHLLOKOSA-N 422.462 3.452 0 40 HGAB Cc1cc(C)c(NC(=O)CNC(=O)COC(=O)c2c(C)[nH]c3ccccc23)c(C)c1 15518717 HZTIRIBGAXVKGL-UHFFFAOYSA-N 407.470 3.313 0 40 HGAB CC[C@@H](C(=O)Nc1nnc(S(=O)(=O)N2CCCCCC2)s1)c1ccccc1 15674522 VNZNTTPJSQZOJQ-OAHLLOKOSA-N 408.549 3.235 0 40 HGAB CCNS(=O)(=O)c1cc(C(=O)Nc2ccccc2Br)ccc1OC 16681876 SSAZBJGKPDZVMT-UHFFFAOYSA-N 413.293 3.008 0 40 HGAB Cc1ccc(SCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)c(C)c1 16811311 UHVYWQMUOCTDND-UHFFFAOYSA-N 407.557 3.495 0 40 HGAB COC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)CN1C[C@H](C)O[C@H](C)C1 17091467 HKAOJYVQOOYVOC-OKILXGFUSA-N 418.515 3.258 0 40 HGAB COCC(=O)N1CCC([C@@H]2C[C@H](C(F)(F)F)n3nc(C(C)(C)C)cc3N2)CC1 19084161 NZYXTRZYVFUXAK-DZGCQCFKSA-N 402.461 3.353 0 40 HGAB COc1ccccc1-c1ccccc1C[C@H]1CN(C(=O)c2cc(C)no2)CCNC1=O 19119951 LRROYIJRTYGWEE-SFHVURJKSA-N 419.481 3.090 0 40 HGAB COc1ccc(CN2CCC(O)(c3ccc(C)cc3)CC2)cc1CN1CCOCC1 19208592 AXMOSZUYIQMQJA-UHFFFAOYSA-N 410.558 3.319 0 40 HGAB COc1ccccc1C(=O)N1CC[C@@](Cc2ccccc2-c2cccnc2)(C(N)=O)C1 19568583 JNRBBTUIFHEPIF-VWLOTQADSA-N 415.493 3.318 0 40 HGAB CN(C)CCNc1nc(-c2ccncc2)nc2c1CN(Cc1ccccc1F)CC2 19582967 NHJJYFVMUUVESD-UHFFFAOYSA-N 406.509 3.210 0 40 HGAB COc1cccc(-c2ccc(NC(=O)CN3C(=O)c4ccccc4S3(=O)=O)cc2)c1 19654927 HGFHRQJGBUPRQN-UHFFFAOYSA-N 422.462 3.145 0 40 HGAB COc1ccc(CCC(=O)N2CCO[C@H](c3ccc(-c4cnn(C)c4)cn3)C2)cc1 19693823 DANNJGOBSLENJT-QFIPXVFZSA-N 406.486 3.023 0 40 HGAB Cc1nc([C@@H]2CCN(C(=O)Cc3ccccc3)C2)nc2c1CCC(=O)N2CC(C)C 19696266 OVMBNZXZPWIIPV-LJQANCHMSA-N 406.530 3.279 0 40 HGAB CCOc1cccc(CNC(=O)[C@H](CC)N(c2ccc(C)cc2)S(C)(=O)=O)c1 20106909 MQYKSEYTRHYUPK-FQEVSTJZSA-N 404.532 3.255 0 40 HGAB O=S(=O)(Nc1cccc(/C=C/c2ccncc2)c1)c1ccc(-n2cnnn2)cc1 20436456 BYRLVBRZBFTAPL-SNAWJCMRSA-N 404.455 3.029 0 40 HGAB COc1cccc(-n2cc(C(=O)OCC(=O)OC(C)(C)C)c3ccccc3c2=O)c1 21359848 HIUVRMLBXUGEQT-UHFFFAOYSA-N 409.438 3.498 0 40 HGAB C[C@H]1CCC=C2C[C@H]3OC(=O)[C@H](CN4CCN(C5CCCCC5)CC4)[C@H]3[C@H](O)[C@@]21C 22456936 FXYPTAKKGKQTFF-RIVFAIMISA-N 416.606 3.222 0 40 HGAB COc1ccc(NC(=O)CN2CCN(Cc3ccc4c(c3)CCO4)CC2)cc1Cl 22805224 RAFGHRWHFZUGSJ-UHFFFAOYSA-N 415.921 3.040 0 40 HGAB CC[C@@H](CN1CCN(C)CC1)NC(=O)Cc1sc(C)nc1-c1ccc(C)cc1 22917277 MOTRSIMJKVFNMK-IBGZPJMESA-N 400.592 3.112 0 40 HGAB Cc1ccc(NC(=O)CN2c3ccccc3CC[C@@H]2C)cc1S(=O)(=O)N(C)C 23055236 UEXJHHZWBVUEDK-INIZCTEOSA-N 401.532 3.025 0 40 HGAB O=C(O)c1csc(S(=O)(=O)Nc2ccccc2-c2nnc3n2CCCCC3)c1 24346314 FOSMPBCSZJXERD-UHFFFAOYSA-N 418.500 3.232 0 40 HGAB CN1C(=O)N(CC(=O)Nc2nc(-c3cccs3)cs2)C(=O)C12CCCCC2 24591548 USWHVTGTZSQWIE-UHFFFAOYSA-N 404.517 3.407 0 40 HGAB Cn1ccnc1[C@@H](NC(=O)CSc1nccc(C(F)(F)F)n1)c1ccccc1 25256854 IGUKFMYPJCQXRW-HNNXBMFYSA-N 407.421 3.227 0 40 HGAB CCn1ncc2c(C(=O)N(C)CC(=O)NCc3ccco3)cc(-c3cccs3)nc21 25377999 SBFJTJZTSKZEKS-UHFFFAOYSA-N 423.498 3.161 0 40 HGAB O=C1CSc2ccc(C(=O)N3CCN(Cc4ccc(Cl)s4)CC3)cc2N1 25702174 KIMBQGOXZFXPDI-UHFFFAOYSA-N 407.948 3.404 0 40 HGAB O=C(COc1ccccc1)Nc1sc2c(c1C(=O)NC[C@H]1CCCO1)CCC2 27663175 VOEKDILEULZIRJ-OAHLLOKOSA-N 400.500 3.163 0 40 HGAB CCOc1cccc(C(=O)NC[C@H](c2ccc(Cl)cc2)N2CCN(C)CC2)c1 28287985 HEMPPTOBYXGURI-OAQYLSRUSA-N 401.938 3.457 0 40 HGAB CN(C)[C@H](CNC(=O)CCNC(=O)c1ccc(Br)cc1)c1ccsc1 29140760 CLFHSNUCSFSSCG-MRXNPFEDSA-N 424.364 3.050 0 40 HGAB CSCc1nc2ccccc2n1CC(=O)NCc1ccc(CN2CCOCC2)cc1 29882778 PBKSNGURQDZYMX-UHFFFAOYSA-N 424.570 3.048 0 40 HGAB COc1ccc(N2C(=O)CC[C@@H](C(=O)N(C)C)[C@@H]2c2ccc(OC)c(OC)c2)cc1 30806158 YEVKAUSDXJIQRJ-GCJKJVERSA-N 412.486 3.285 0 40 HGAB CCOC(=O)c1sc(NC(=O)CN(CC)C[C@H]2COc3ccccc3O2)cc1C 31174643 QTXYBHSNNBVRBW-HNNXBMFYSA-N 418.515 3.334 0 40 HGAB CCS(=O)(=O)c1ccccc1NC(=O)COc1ccc(F)cc1Br 32817447 KLSWEEVZIHOCDP-UHFFFAOYSA-N 416.268 3.399 0 40 HGAB CC(=O)Nc1cccc(NC(=O)Cn2c(=O)c(C(F)(F)F)nc3ccccc32)c1 32876037 WNRMNFPYOMZTOO-UHFFFAOYSA-N 404.348 3.012 0 40 HGAB CC(C)Cn1c(SCC(=O)Nc2ccc(F)c(F)c2)nc2ncccc2c1=O 32893298 KNYZVUPQSWFSSC-UHFFFAOYSA-N 404.442 3.457 0 40 HGAB C[C@@H](Sc1ncnc2c1cnn2-c1ccccc1)C(=O)NC(=O)NC1CCCCC1 32911213 UXLNHHKUJZDWBH-CQSZACIVSA-N 424.530 3.455 0 40 HGAB C/C=C/C=C/C=C/C(=O)O[C@@H]1C=C(CO)[C@@](O)(C(=O)OC)[C@@]2(C)CCCC(C)(C)[C@H]12 35464056 QIDMCIFFMHMTBT-ZSROFMGYSA-N 418.530 3.256 0 40 HGAB biogenic,in-vitro Fc1ccc(-n2ncc3c(N4CCOCC4)nc(NCCc4ccccc4)nc32)cc1 36656935 IPIILQOXEKKXCW-UHFFFAOYSA-N 418.476 3.446 0 40 HGAB Cn1nc(-c2ccccc2)cc1C(=O)N1CCN(c2ccc(-c3ccco3)nn2)CC1 38488046 GIYHMDJQLYLWLX-UHFFFAOYSA-N 414.469 3.100 0 40 HGAB NC(=O)N[C@@H](CC(=O)N1CCC[C@@H]1c1ccncc1)c1cccc(Br)c1 42794643 DCNIEXGQNDWFOT-DLBZAZTESA-N 417.307 3.307 0 40 HGAB COc1ccc(OC)c2c1CN(c1ccc(S(=O)(=O)C(F)(F)F)cc1)C[C@H]2O 47509816 VIIGOYYVVMYIGB-CQSZACIVSA-N 417.405 3.051 0 40 HGAB COC(=O)[C@H](CNS(=O)(=O)c1ccccc1C(F)(F)F)Cc1ccc(F)cc1 48325826 UBEKMPHFQSERIO-ZDUSSCGKSA-N 419.396 3.155 0 40 HGAB Cc1cc(C)c(NC(=O)Cn2nc3c(Oc4ccccc4)nccn3c2=O)c(C)c1 49008156 QUYZILGCEANUFH-UHFFFAOYSA-N 403.442 3.247 0 40 HGAB CCC[C@H](c1nnnn1Cc1ccc(OC)cc1)N1CCN(c2ccccc2)CC1 57670991 PRZMGSOFJKDQNB-JOCHJYFZSA-N 406.534 3.393 0 40 HGAB C[C@@H](NCC(=O)NC(=O)Nc1ccc2c(c1)OCCO2)c1cccc(C(F)(F)F)c1 58172495 OHLSVLPOLDUVFC-GFCCVEGCSA-N 423.391 3.476 0 40 HGAB CCCCN(CC)C(=O)CSc1nc2cc(C)[nH]c2c(=O)n1Cc1ccco1 67236278 BIFXTLSHRZBHQN-UHFFFAOYSA-N 402.520 3.415 0 40 HGAB Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)Nc1ccc(-c2csnn2)cc1 69950361 KPMUHVPFSKNPRN-UHFFFAOYSA-N 414.512 3.207 0 40 HGAB O=C(Cc1ccc(Cl)cc1)N[C@H]1[C@H](O)[C@H](O)C[C@@H]1c1ccc(C(F)(F)F)cc1 72321777 KGOUPJBDXDSOSF-PSBWJHGTSA-N 413.823 3.295 0 40 HGAB biogenic,in-vitro Cc1cc(Nc2nc(C)cc(C)n2)cc([C@@H]2CCCN2C(=O)c2ccc(=O)n(C)c2)n1 72372618 GTNGBQWWSVPQKZ-FQEVSTJZSA-N 418.501 3.216 0 40 HGAB O=C(COc1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCC[C@@H]2CCCC[C@H]21 78714053 HHQNYRHEEQODLX-GHTZIAJQSA-N 420.575 3.421 0 40 HGAB COCCN(CC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1)C(=O)OC(C)(C)C 79024591 VBXPKKYANUBTPK-ICSRJNTNSA-N 419.566 3.039 0 40 HGAB NC(=O)c1ccc(S(=O)(=O)N2CCc3ccccc3[C@@H]2Cc2ccccc2)cc1 95445248 AGKBNWPWTWDFMB-QFIPXVFZSA-N 406.507 3.316 0 40 HGAB CCOc1cc2c(cc1CN1C[C@@H]3CCC[C@@H](C1)C3(O)c1nccn1C)O[C@H](C)C2 100150171 LVTZFZLXQGDXST-UXPWSPDFSA-N 411.546 3.262 0 40 HGAB Cc1ccc(-c2nnc([C@H]3CC[C@H](CNC(=O)c4ccc(C)n(C)c4=O)CC3)o2)cn1 100155898 KZGOIHXPFQVKLQ-CALCHBBNSA-N 421.501 3.151 0 40 HGAB CC(=O)N1CCc2nc3cc([C@@H]4CCCCN4Cc4ccc(C)cc4)nn3c(O)c2C1 100242907 DEEFJNDLNXXGTC-QFIPXVFZSA-N 419.529 3.375 0 40 HGAB O=C(CN1[C@@H]2CCC[C@@H]1CC(NC(=O)c1ccccc1)C2)NCc1ccc(F)cc1 100433698 ADRMBDIZFBQREN-FGZHOGPDSA-N 409.505 3.257 0 40 HGAB CN1C(=O)N(C)C(=O)C2(Cc3cc(F)ccc3N3[C@H]4CC(C)(C)C[C@@](C)(C4)[C@H]32)C1=O 101331101 JVQFJWKZMZZBEG-GIMINZRKSA-N 413.493 3.192 0 40 HGAB COc1cccc(C2=NO[C@@H]3C(=O)N(c4cc(Cl)ccc4Cl)C(=O)[C@@H]23)c1OC 102559218 JBSCRCHHRYVXCR-YOEHRIQHSA-N 421.236 3.303 0 40 HGAB COC(=O)[C@@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)Nc1ccc(OC)cc1OC 206804239 HSWAHDLEIZKCIS-PBHICJAKSA-N 418.421 3.070 0 40 HGAB CC[C@H](C(=O)NCCCc1ccc(F)cc1)N(c1ccc(C)cc1)S(C)(=O)=O 219096952 KABOGPJJEANUSC-HXUWFJFHSA-N 406.523 3.428 0 40 HGAB COCCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CCc1ccccc1 222992223 IPVJOTFVNYOLHH-IBGZPJMESA-N 412.530 3.198 0 40 HGAB COc1ccc(OCC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NC(C)(C)C)cc1 223094672 XFLBQXMQLNFSLU-SFHVURJKSA-N 412.530 3.449 0 40 HGAB CCCSc1nnc(NC(=O)[C@H](C)N(c2cccc(C)c2)S(C)(=O)=O)s1 223165339 JGSZFBDGIGJPSA-LBPRGKRZSA-N 414.578 3.142 0 40 HGAB C[C@H](NC(=O)CCCN(C)S(=O)(=O)c1ccccc1)c1ccc2c(c1)CCC2 223230533 KKWFGZJXQOUDRL-KRWDZBQOSA-N 400.544 3.453 0 40 HGAB O=C(NCC(F)(F)F)c1cc(C2CCN(C(=O)CSC3CCCC3)CC2)n[nH]1 225563124 NWEGXXXCUSYWOF-UHFFFAOYSA-N 418.485 3.084 0 40 HGAB NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(O)c(F)c2)cc1 225793645 KBWGXOUNFAHMCC-UHFFFAOYSA-N 401.341 3.050 0 40 HGAB Cc1cccc(CNC(=O)C2CCN(S(=O)(=O)c3cc(C)ccc3C)CC2)c1 225924336 SCJOUXZKNNTJCF-UHFFFAOYSA-N 400.544 3.329 0 40 HGAB CCS(=O)(=O)N1C[C@@H](C(=O)N[C@H](C)c2ccc(C)cc2C)Oc2ccccc21 250246673 PLPXYVDMQMXNDE-UZLBHIALSA-N 402.516 3.098 0 40 HGAB C[C@H](C(=O)NCCCCCc1nc2ccccc2n1C)N1Cc2ccccc2C1=O 252572247 ZAUHWCMSARVNKA-QGZVFWFLSA-N 404.514 3.447 0 40 HGAB O=C(c1cccc2ncccc12)N1CCOC[C@@]2(C1)CN(c1ccc(F)cc1)C(=O)O2 257265382 LYLAINTVDAWMFK-HSZRJFAPSA-N 421.428 3.242 0 40 HGAB CS(=O)(=O)c1c[nH]nc1[C@H]1CCN(C(=O)C2(c3ccccc3)CCCCC2)C1 257269209 MPANKZKNKYRZBV-INIZCTEOSA-N 401.532 3.031 0 40 HGAB O=C1N(Cc2ccc(F)cc2)CCO[C@@]12CN(Cc1ccco1)C[C@H]2c1cccnc1 306127038 FMEVUBULSOEPEA-LADGPHEKSA-N 421.472 3.211 0 40 HGAB Cc1ccc(CNS(=O)(=O)c2ccc(O[C@H](C)C(=O)NCC(C)C)cc2)cc1 408591696 JCTBYTDAAYYRSG-QGZVFWFLSA-N 404.532 3.013 0 40 HGAB COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)C(=O)Nc1ccccc1Cl 408601799 BPFDYBRPXZVQSM-JTQLQIEISA-N 403.287 3.308 0 40 HGAB CCCOc1ccc(N2C[C@@H](C(=O)Nc3ccccc3C(=O)NCC)CC2=O)cc1 408614500 CZCGYZALEHWSNO-INIZCTEOSA-N 409.486 3.217 0 40 HGAB Cc1nnc2sc(-c3ccccc3NC(=S)NC(=O)c3cccs3)nn12 408617496 ANWCPMCIQJUUBM-UHFFFAOYSA-N 400.514 3.350 0 40 HGAB COc1ccc(NC(=O)COC(=O)CCCCCN2C(=O)c3ccccc3C2=O)cc1 408651525 BEJXSYUJGRVNHU-UHFFFAOYSA-N 424.453 3.034 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)N[C@@H]1C[C@H]2CC[C@H]1C2 408701579 ADTPJNLEDGQKME-TXPKVOOTSA-N 406.548 3.034 0 40 HGAB COc1ccc(-c2nnc(CN(C)C(=O)[C@@H](C)Oc3ccccc3C)o2)cc1OC 408714916 YMMSHXDVAKXGAS-OAHLLOKOSA-N 411.458 3.488 0 40 HGAB Cc1cc(C)cc(N([C@@H](C)C(=O)NCCSCc2ccco2)S(C)(=O)=O)c1 409408736 DLRDEQYYVQWWEY-INIZCTEOSA-N 410.561 3.101 0 40 HGAB Cc1onc(-c2ccccc2Cl)c1C(=O)NCCn1ccc2ccn(C)c2c1=O 575615628 FGIBZFDQZSUXPQ-UHFFFAOYSA-N 410.861 3.387 0 40 HGAB O=C(c1cc2cc(Cl)ccc2[nH]1)N1CCC(n2cnc3ncccc3c2=O)CC1 575617230 MVUFICTVIYBVLX-UHFFFAOYSA-N 407.861 3.404 0 40 HGAB COc1cc2c(cc1OC)[C@H](NC(=O)CCCc1nc(O)c3ccccc3n1)CC2 583652580 WRNUMPOZNRNREP-GOSISDBHSA-N 407.470 3.479 0 40 HGAB COCCN1c2cccnc2-n2cccc2[C@]12CCN(C(=O)c1cc(C)c(C)o1)C2 585106679 FFHKFDHCYOJQSC-HSZRJFAPSA-N 406.486 3.290 0 40 HGAB COCc1ccc(C(=O)N2CCc3ncc(-c4ccc(NC(C)=O)cc4)n3CC2)cc1 585111134 FVYDTGHNOCHAMP-UHFFFAOYSA-N 418.497 3.353 0 40 HGAB Cc1sc2nc(CS[C@H](C)C(=O)NCCN3CCC[C@@H](C)C3)nc(O)c2c1C 603756133 CZVZHFVNJVONRS-IUODEOHRSA-N 422.620 3.484 0 40 HGAB CC(=O)N1CCCCCCCN(C(C)C)Cc2cc(C(=O)NCCCO)ccc21 643577090 DTYIVDJPWDVETK-UHFFFAOYSA-N 403.567 3.326 0 40 HGAB C[C]1CN(Cc2ccc(CC(=O)N3CCC(Nc4cccc(F)c4)CC3)cc2)CCN1 1560406276 YCHSGYUIHGPUBZ-UHFFFAOYSA-N 423.556 3.428 0 40 HGAB COc1ccccc1[C@@H]1CNCCN1CC(=O)Nc1ccc(Oc2cccnc2)cc1 1848354004 GDYDXDONSMUNGF-QFIPXVFZSA-N 418.497 3.468 0 40 HGAB Cc1c(C(=O)OCC(C)C)sc2ncn(CC(=O)OC3CCCCC3)c(=O)c12 958461 BZEJEOONHPECCU-UHFFFAOYSA-N 406.504 3.455 0 40 HGAB O=C(O)[C@H]1Sc2c(sc(=O)n2-c2ccccc2)[C@@H]2c3ccccc3OC(=O)[C@H]12 1135824 MMSQLYKMBQRQFM-YCPHGPKFSA-N 411.460 3.125 0 40 HGAB O=C(Cn1c(S(=O)(=O)Cc2ccccc2)nc2ccccc21)NC1CCCCC1 1443699 NZVUKBLUVANENR-UHFFFAOYSA-N 411.527 3.459 0 40 HGAB CC(C)[C@H]1Cc2c(sc3nc(SCC(=O)Nc4ccccn4)nc(N)c23)CO1 1830162 NJOIAKDAJJWQES-GFCCVEGCSA-N 415.544 3.497 0 40 HGAB Nc1c(S(=O)(=O)c2cccs2)c2nc3ccccc3nc2n1C[C@@H]1CCCO1 2412139 BGRMFHLCLVIADV-LBPRGKRZSA-N 414.512 3.240 0 40 HGAB CCCSc1nc2c(c(=O)n(Cc3ccccc3)c(=O)n2C)n1Cc1ccccc1 3209456 QJXROKRGTDSSNC-UHFFFAOYSA-N 420.538 3.495 0 40 HGAB O=C(COC(=O)c1ccc(C(=O)c2ccccc2)cc1)Nc1ccc2c(c1)OCO2 3489200 KXIAELMLLKXSAR-UHFFFAOYSA-N 403.390 3.442 0 40 HGAB COC[C@@H](C)n1c(SCC(=O)Nc2ccc(Cl)cn2)nc2ccccc2c1=O 3590396 SULATZSWARWHOO-GFCCVEGCSA-N 418.906 3.383 0 40 HGAB COc1cc(NC(=O)CSc2nnc(-c3ccc4c(c3)OCO4)o2)cc(OC)c1 3602604 XDVYBBRNTNLVFR-UHFFFAOYSA-N 415.427 3.213 0 40 HGAB O=C(NCc1ccccc1)C(=O)NC[C@@H](c1cccs1)N1CCc2ccccc21 4305599 LUYVESGMIVFKBZ-FQEVSTJZSA-N 405.523 3.285 0 40 HGAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)C[C@H]1CCS(=O)(=O)C1 4392516 BOXAYXSWAXPHQN-CYBMUJFWSA-N 407.513 3.355 0 40 HGAB C[C@H](Sc1nnc(-c2cccs2)n1N)C(=O)N[C@H](C)CCc1ccccc1 4537059 BPMKYVXPMGAZBW-KGLIPLIRSA-N 401.561 3.339 0 40 HGAB CCCCCC(=O)Nc1ccc(C(=O)COC(=O)c2n[nH]c(=O)c3ccccc23)cc1 5182624 WVIBLBFNMWNBCL-UHFFFAOYSA-N 421.453 3.482 0 40 HGAB CC(C)(C)c1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 5577662 VNQKCFHWFDXXMS-UHFFFAOYSA-N 402.516 3.257 0 40 HGAB Cc1cccc(N2C[C@H](C(=O)OCC(=O)Nc3ccc(Cl)cc3)CC2=O)c1C 5934664 MRIVKNPFMOQZNY-OAHLLOKOSA-N 400.862 3.492 0 40 HGAB O=C(NC[C@@H](c1ccco1)N1CCCC1)c1cccc(I)c1 6432400 BOLBYCBNPRKGAN-HNNXBMFYSA-N 410.255 3.451 0 40 HGAB COC(=O)C1CCN(C(=O)COc2ncnc3scc(-c4ccccc4)c23)CC1 6579104 IOBYMQYZQKFXSA-UHFFFAOYSA-N 411.483 3.149 0 40 HGAB O=C(COc1ccc(Cl)c2cccnc12)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 6979603 ZGXSQIHANIXFJC-HNNXBMFYSA-N 422.934 3.225 0 40 HGAB C[C@H](NC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)c1ccc2c(c1)CCCC2 7821874 VGFFZTPYAFJSIP-LMKMVOKYSA-N 417.509 3.136 0 40 HGAB C[C@@H](C(=O)NCCSc1ccccc1)N(c1cccc(Cl)c1)S(C)(=O)=O 7872099 PBTQHBWEKSHUIB-AWEZNQCLSA-N 412.964 3.403 0 40 HGAB CC[C@H](C)NC(=O)c1cccc(NC(=O)C[C@@H]2SC(N3CCCCC3)=NC2=O)c1 8402089 UDMFEWPQUVNBBE-YOEHRIQHSA-N 416.547 3.027 0 40 HGAB COC(=O)c1ccc(N2C(=O)c3ccc(C(=O)OCC(=O)C(C)(C)C)cc3C2=O)cc1 9425968 HMTTXMCPEYBKRG-UHFFFAOYSA-N 423.421 3.046 0 40 HGAB COc1ccccc1C(=O)Nc1nc(-c2nnn(-c3ccc(F)cc3)c2C)ns1 9638893 WFXDLHLBWYXQSH-UHFFFAOYSA-N 410.434 3.494 0 40 HGAB COc1cc2ncn(CCCC(=O)N[C@@H](C)c3cccs3)c(=O)c2cc1OC 10708388 HLYSEQYSYZMBMS-ZDUSSCGKSA-N 401.488 3.133 0 40 HGAB Cc1ccc(OCCOC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)cc1 10767408 QMMCVAUCPLYXIS-KRWDZBQOSA-N 421.490 3.157 0 40 HGAB CC(=O)c1ccc(S(=O)(=O)N2Cc3ccccc3OC3(CCOCC3)C2)cc1 12121663 FYOLJKNAKLVLQW-UHFFFAOYSA-N 401.484 3.022 0 40 HGAB COc1ccc([C@@H]2c3c(O)n[nH]c3C[C@@](C)(O)[C@@H]2C(=O)Nc2ccccc2C)cc1 12463099 GSSMZDUIYCDSFR-QMHWCDLVSA-N 407.470 3.126 0 40 HGAB CCCCn1c(N)c(N(CC(C)C)C(=O)c2cccc(-n3cccc3)c2)c(=O)[nH]c1=O 12538092 UEJQZVGIJIWVGU-UHFFFAOYSA-N 423.517 3.012 0 40 HGAB CNS(=O)(=O)Cc1ccccc1CNC(=O)/C=C/c1cc(Cl)cc(Cl)c1 12551839 BCBYRPCGGKRGTO-VOTSOKGWSA-N 413.326 3.372 0 40 HGAB CCCn1c(=O)n(CC(=O)N(C)CC(=O)Nc2c(C)cc(C)cc2C)c2ccccc21 12746134 CNKLOKOJNOGZGX-UHFFFAOYSA-N 422.529 3.235 0 40 HGAB O=C(Cn1cnc2sccc2c1=O)Nc1nc(-c2cc(F)ccc2F)cs1 12747356 ULNFGJHUBFBIJE-UHFFFAOYSA-N 404.423 3.498 0 40 HGAB CC(=O)Nc1cccc(C(=O)N2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)c1 12750718 VJQOVPZHCSEZFD-UHFFFAOYSA-N 408.454 3.151 0 40 HGAB CC(C)NS(=O)(=O)c1ccc(NC(=O)/C=C/c2ccc3c(c2)OCCCO3)cc1 13096400 APDCTVUVFWBEFK-VZUCSPMQSA-N 416.499 3.187 0 40 HGAB O=S(=O)(c1ccc(-c2nnc(S)n2-c2ccccc2)cc1)N1CCCCC1 13534664 KYUWZHKXFBCYLE-UHFFFAOYSA-N 400.529 3.398 0 40 HGAB O=C(c1cccc(Cl)c1)N1CCN(c2ccc(-c3ccc4c(c3)OCO4)nn2)CC1 13658852 QJENAZOUSFEGRR-UHFFFAOYSA-N 422.872 3.488 0 40 HGAB CC[C@@H](C(=O)Nc1cccc(NC(C)=O)c1)N(c1ccc(C)cc1)S(C)(=O)=O 13713872 YMPZTANZFDCTGA-IBGZPJMESA-N 403.504 3.137 0 40 HGAB CCCCN1C(=O)/C(=c2\sc3nc(-c4ccccc4C)nn3c2=O)c2ccccc21 13757896 AWYNFAOQKDMAGC-HNENSFHCSA-N 416.506 3.191 0 40 HGAB Cc1[nH]c2ccccc2c1[C@H]1c2ccccc2C(=O)N1CCC(=O)N1CCN(C)CC1 13945790 WSFKECQCMCYWFG-XMMPIXPASA-N 416.525 3.186 0 40 HGAB CCOC(=O)C1=C(COC(=O)c2ccc(F)cc2F)NC(=O)N[C@H]1c1cccs1 14067318 WYVKLMNHBOQJEX-INIZCTEOSA-N 422.409 3.054 0 40 HGAB CCCc1ccc(-c2csc(NC(=O)CN3CCN(c4ncccn4)CC3)n2)cc1 14787715 FQMXVHLSUZVRSL-UHFFFAOYSA-N 422.558 3.313 0 40 HGAB C[C@@H](c1nnc(SCC(=O)Nc2ccccc2)n1C)N1C(=O)COc2ccccc21 15019284 WVTNWLBZBMIKAS-AWEZNQCLSA-N 423.498 3.033 0 40 HGAB CC(C)n1nccc1NC(=O)[C@@H](C)N(C)CC(=O)Nc1ccccc1C(F)(F)F 16634739 YITHXHXDOHOYEN-CYBMUJFWSA-N 411.428 3.380 0 40 HGAB COc1ccc(OC)c(Nc2nc(NCCCO)nc3c2cnn3-c2ccccc2)c1 16944493 ZRQUZYCMGQNXGW-UHFFFAOYSA-N 420.473 3.371 0 40 HGAB COc1cc2c(cc1OC)[C@H](CNC(=O)/C=C\c1cc(OC)c(OC)c(OC)c1)C2 17062388 KWCVJXFIJROWLR-WLMCBFPDSA-N 413.470 3.199 0 40 HGAB Cc1nc(NC(=S)NC(=O)c2cccc(F)c2)ccc1I 17090190 KWIIAPBRWZYPCB-UHFFFAOYSA-N 415.231 3.261 0 40 HGAB CC(=O)N1CCc2cc(S(=O)(=O)N3CCC[C@H](c4nc5ccccc5[nH]4)C3)ccc21 19019256 WDYWDATYAKMBFI-KRWDZBQOSA-N 424.526 3.040 0 40 HGAB COc1cc(C(=O)N(C)Cc2nc(C)ncc2-c2cc(C)no2)cc(OC)c1OC 19123501 ADHYTAGTGBRGMB-UHFFFAOYSA-N 412.446 3.046 0 40 HGAB c1cncc(CN2CCC[C@@H](c3nc(N4CCOCC4)ncc3-c3ccncc3)C2)c1 19339025 LHKQVTJNOUOCKG-OAQYLSRUSA-N 416.529 3.150 0 40 HGAB CCc1sc(NC(=O)c2cc(OC)nc(OC)n2)nc1-c1ccc(OC)cc1 19521616 ZUNOVLAPWFOEFQ-UHFFFAOYSA-N 400.460 3.441 0 40 HGAB CCNC(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CCCN(C(=O)c2cccnc2)C1 19528652 OMDHSEOBCUOWKC-XMMPIXPASA-N 418.497 3.338 0 40 HGAB CCOc1ccc(CN2CCN(c3c(F)cccc3[C@H](O)c3nccn3C)CC2)cc1 19533334 UBRCLFUKJSTSCO-QHCPKHFHSA-N 424.520 3.362 0 40 HGAB C[C@H]1CCCCN1CC(=O)N1CCC(c2ccc(-c3cccc(C(N)=O)c3)cn2)CC1 19689028 FVAIBMIJUBDRHZ-SFHVURJKSA-N 420.557 3.428 0 40 HGAB O=C(C[C@H](c1ccccc1)c1cc(Cl)ccc1O)NCCCN1CCOCC1 20001425 RAJZCWMYQBWRSA-LJQANCHMSA-N 402.922 3.406 0 40 HGAB O=C(NCCCN1CCN(c2cccc(Cl)c2)CC1)c1noc2c1CCCC2 20437409 MOBPOZATRROEQD-UHFFFAOYSA-N 402.926 3.149 0 40 HGAB CC1(C)O[C@@H]2O[C@H](C(=O)Nc3ccc(Cl)c(Cl)c3)[C@@H]3OC(C)(C)O[C@@H]3[C@@H]2O1 20615515 MPANJVGSETVFNG-BLDNINTCSA-N 418.273 3.328 0 40 HGAB Oc1c([C@H](c2cccs2)N2CCN(Cc3ccccc3)CC2)sc2ncnn12 22031038 FJZBOIJTGZBOTN-KRWDZBQOSA-N 411.556 3.465 0 40 HGAB Cc1ccc(OCCNC(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)cc1 22330159 NDFILQSBERITGG-UHFFFAOYSA-N 404.532 3.080 0 40 HGAB CCOc1cc2c(cc1NS(=O)(=O)c1ccc3oc(=O)ccc3c1)O[C@H](C)C2 23015757 UDCNJJMBXGKOPZ-GFCCVEGCSA-N 401.440 3.316 0 40 HGAB COC(=O)c1ccc(/C=C/C(=O)N2CCN(Cc3nc4ccccc4s3)CC2)cc1 24149433 GJLNZKRCRVDNBK-DHZHZOJOSA-N 421.522 3.441 0 40 HGAB O=C(CN1CCN(c2ccccn2)CC1)N1CCC[C@@H](c2nc3ccccc3s2)C1 24177614 LAZPOWXGKOCPOC-GOSISDBHSA-N 421.570 3.220 0 40 HGAB CC(C)NS(=O)(=O)c1ccc(NC(=O)c2cccc(Nc3ncccn3)c2)cc1 24661678 ITJSDSJBOKCSEW-UHFFFAOYSA-N 411.487 3.159 0 40 HGAB COC(=O)/C=C/c1ccc(OS(=O)(=O)c2ccc(F)c(F)c2F)c(OC)c1 24992141 NPTYOLPJXONQOE-XBXARRHUSA-N 402.346 3.066 0 40 HGAB Nc1c(C(=O)NCc2ccccc2)nsc1C(=O)NCc1ccc(F)cc1Cl 33171861 FHKAMIMNZLWKHI-UHFFFAOYSA-N 418.881 3.378 0 40 HGAB COc1ccc(NC(=O)c2cc(-c3cccs3)n([C@H]3CCS(=O)(=O)C3)n2)cc1 33325458 AQOQYKSYIWAQTK-AWEZNQCLSA-N 417.512 3.232 0 40 HGAB CCN1CCN([C@@H](C(=O)O)c2cn(Cc3ccccc3)c3ccc(C(=O)O)cc23)CC1 36353127 YYHIJXYAODLUGM-JOCHJYFZSA-N 421.497 3.151 0 40 HGAB Cc1cccc(N2CCN([C@H](C(=O)O)c3cn(C)c4ccc(C(=O)O)cc34)CC2)c1C 36366640 GKBRTDDJXFLSDX-QFIPXVFZSA-N 421.497 3.441 0 40 HGAB O=C(CNc1cc2c(cc1Br)OCCO2)N1CCc2ccccc2C1 48332425 YHFRGTGYWRGNLW-UHFFFAOYSA-N 403.276 3.217 0 40 HGAB COc1ccccc1N1C[C@H](C(=O)Nc2nnc(COc3ccccc3)s2)CC1=O 49551094 WIYRVXRHBANARC-CQSZACIVSA-N 424.482 3.117 0 40 HGAB COc1ccc(-c2nc(C)cc(=O)n2CC(=O)N[C@H](C)CCc2ccccc2)cc1 67198596 XSYHMIARNOYYHE-QGZVFWFLSA-N 405.498 3.365 0 40 HGAB CC[C@@H](C(=O)N1[C@H](C(=O)O)COC12CCN(Cc1ccccc1)CC2)c1ccccc1 71980613 GEHIEJFHPFJMAP-YADHBBJMSA-N 422.525 3.485 0 40 HGAB COC(=O)c1cccc(NC(=O)c2cccc(S(=O)(=O)CC(F)(F)F)c2)c1 72273502 QLEWKKSVQZTVQO-UHFFFAOYSA-N 401.362 3.062 0 40 HGAB NC(=O)c1cccc(CNC(=O)[C@H](c2cccc(Br)c2)N2CCCC2)c1 72306934 YOTGMNDYPXTVRZ-SFHVURJKSA-N 416.319 3.001 0 40 HGAB COc1ccccc1N1CCN(C(=O)CCc2nc(-c3cccc(F)c3)no2)CC1 72332128 YCJFLNAZRQRCFL-UHFFFAOYSA-N 410.449 3.166 0 40 HGAB COc1cccc(-c2cnc(N)nc2[C@@H]2CCCCN2CC(=O)Nc2nccs2)c1 72376869 BXBFKFRBBDMGAC-KRWDZBQOSA-N 424.530 3.357 0 40 HGAB Cc1ccc(S(=O)(=O)N(C)C2CCC3(CC2)CNC(=O)c2ccccc2O3)cc1 72391101 IRZWJHWHEQMAFM-UHFFFAOYSA-N 414.527 3.119 0 40 HGAB C[C@H](OC(=O)[C@H]1C[C@@H](C)Nc2ccccc21)C(=O)N1CCN(c2ccccc2)CC1 78999681 QPMAAOZRKFQLES-LQWHRVPQSA-N 407.514 3.255 0 40 HGAB COc1ccc2cc([C@@H]3SCC(O)=Nc4c3c(=O)[nH]n4C(C)C)c(=O)[nH]c2c1 95480365 ZDBWRHQPCBTCIP-INIZCTEOSA-N 400.460 3.032 0 40 HGAB CC(C)Cc1nc2cc(NC(=O)CC[C@@H]3NC(=O)c4ccccc4NC3=O)ccc2[nH]1 96114078 DVEFZBCEJKEDMX-SFHVURJKSA-N 419.485 3.231 0 40 HGAB biogenic O=S(=O)(NCCn1nc(-c2ccncc2)c2c1CCCC2)c1c(F)cccc1F 96121468 NWVLEXFETVCWLL-UHFFFAOYSA-N 418.469 3.081 0 40 HGAB CC(C)N(C(=O)CN1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1)C(C)C 96941290 BCZGVZYCKRWKRO-UHFFFAOYSA-N 419.957 3.153 0 40 HGAB COc1ccc2c(C)c(CCC(=O)NC[C@H]3CCCN4CCCC[C@H]34)c(=O)oc2c1 98031761 DIBZKXKHRBMLOY-DYESRHJHSA-N 412.530 3.423 0 40 HGAB C[C@H](Oc1ccc2c3c(c(=O)oc2c1)CCC3)C(=O)NC[C@H]1CC[C@H](C(=O)O)CC1 101062257 CIPDGAJKNINTBP-SOUVJXGZSA-N 413.470 3.056 0 40 HGAB COc1ccc(C2=NO[C@@H]3C(=O)N(c4cc(Cl)ccc4Cl)C(=O)[C@H]23)c(OC)c1 101249477 VKUQRBISRFOJKN-WBVHZDCISA-N 421.236 3.303 0 40 HGAB Cc1ccc([S@@](=O)(=S)OCCO[S@](=O)(=S)c2ccc(C)cc2)cc1 103681703 TWMOMQTUICHMNW-ZEQRLZLVSA-N 402.584 3.077 0 40 HGAB O=C(Cn1c(=O)oc2ccccc21)N1CCC[C@H](Cc2nc(-c3ccsc3)no2)C1 207015749 XBWRAFGHKVDJDM-CQSZACIVSA-N 424.482 3.187 0 40 HGAB CC(C)Oc1cccc(CCCNC(=O)[C@@H](c2ccccc2)N(C)S(C)(=O)=O)c1 222771393 VSXFWYQKSRRRST-OAQYLSRUSA-N 418.559 3.155 0 40 HGAB CCCSc1nnc(NC(=O)CN(c2c(C)cccc2C)S(C)(=O)=O)s1 223123838 XUYXDLLPHKRBSQ-UHFFFAOYSA-N 414.578 3.062 0 40 HGAB CCOC(=O)c1ccccc1NS(=O)(=O)c1cc2oc(=O)n(CC)c2cc1Cl 223366578 NUMNHLMYHMOWHJ-UHFFFAOYSA-N 424.862 3.245 0 40 HGAB CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(C)n1-c1cccnc1 223646586 HGXCANBEJZDQQE-LEWJYISDSA-N 421.526 3.111 0 40 HGAB COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(C)cn1 223680196 DRYYFWNSUABZKF-NHCUHLMSSA-N 421.526 3.111 0 40 HGAB Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)N[C@H](C)c3ccccc3)s2)cc1 223745093 ATCCMCREEOWJAO-CYBMUJFWSA-N 402.501 3.138 0 40 HGAB COc1ccc(N(CC(=O)NC(C)(C)Cc2ccccc2)S(C)(=O)=O)cc1Cl 224513482 MPUZZVPZAFMKEN-UHFFFAOYSA-N 424.950 3.252 0 40 HGAB COC(=O)c1cc(S(=O)(=O)NCc2ccc(CN3CCCCC3)cc2)ccc1C 224535777 GHGDZKVCDCUBJE-UHFFFAOYSA-N 416.543 3.246 0 40 HGAB COc1cccc(-c2noc(CN(C)S(=O)(=O)c3c(C)cc(OC)cc3C)n2)c1 225605585 OIIJPSJTLJQSRE-UHFFFAOYSA-N 417.487 3.191 0 40 HGAB COC[C@]1(C(=O)O)[C@@H](c2ccc(OC)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 242548097 LCJXROGQBPWZLQ-SCTDSRPQSA-N 410.875 3.006 0 40 HGAB O=S(=O)(Cc1ccccc1)N1C[C@@H]2CN(Cc3ccc(C(F)(F)F)cc3)[C@H]2C1 247310318 IFPJCIKFNYVVTI-HKUYNNGSSA-N 410.461 3.351 0 40 HGAB Cc1cc(C)n(CC(=O)N2CCO[C@@H](c3cccc(Cc4ccc(F)cc4)n3)C2)n1 257336855 YQHROFHJUQJSQA-JOCHJYFZSA-N 408.477 3.225 0 40 HGAB Cc1ccc(N([C@@H](C)C(=O)N[C@H](C)COc2ccccc2C)S(C)(=O)=O)cc1 260455435 PRXZYWFDFOCIKJ-MSOLQXFVSA-N 404.532 3.042 0 40 HGAB CC(C)NC(=O)c1nnc2n1CC1(CC2)CCN(Cc2ccc(Cl)cc2)CC1 306142334 WWFHOLASKXGITC-UHFFFAOYSA-N 401.942 3.298 0 40 HGAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@H](C)c2ccccc2)cc1Cl 408598216 YBDYKOMGDNSONN-KGLIPLIRSA-N 410.923 3.283 0 40 HGAB CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)Nc2ccccc2C(F)(F)F)cc1 408611490 XDTSZMWOKTXDDW-LLVKDONJSA-N 402.394 3.020 0 40 HGAB Cc1ccc(C)c(N2C[C@@H](C(=O)Oc3ccc(N4C(=O)CCC4=O)c(C)c3)CC2=O)c1 408644796 SZXXCQGQORHJIU-KRWDZBQOSA-N 420.465 3.224 0 40 HGAB Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3ccc(N4CCCCCC4)o3)C2=O)c1 409101502 YNUHRYNXKNQWDS-XMHGGMMESA-N 422.485 3.500 0 40 HGAB COc1cc([C@@H](CC(=O)NCCc2ccccc2)c2oc(C)cc(=O)c2O)ccc1O 524729155 GQPKLOSZARYZDZ-GOSISDBHSA-N 423.465 3.249 0 40 HGAB biogenic Cn1cc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc(Br)c1=O 531781470 MWNMVPNLIDPSRX-UHFFFAOYSA-N 412.092 3.255 0 40 HGAB Cn1c(O)nc2cc(C(=O)NC(C)(C)COc3ncccc3C(F)(F)F)ccc21 533321190 FEVZADZRFDQNSK-UHFFFAOYSA-N 408.380 3.280 0 40 HGAB CC(C)c1ccc(S(=O)(=O)N(Cc2ccccc2)[C@H]2C=CS(=O)(=O)C2)cc1 575422075 KUKPFPHQXRBSKH-IBGZPJMESA-N 405.541 3.312 0 40 HGAB CN1CCCCN(C(=O)C2CCOCC2)CCCOc2ccc(Cl)cc2C1=O 643558022 HECVKKZHOJFHJK-UHFFFAOYSA-N 408.926 3.230 0 40 HGAB O=C1NCCOCCCCC2(CCN(C(=O)C3CCC3)CC2)COc2ccccc21 643565063 RPCYLKCKWRYNBY-UHFFFAOYSA-N 414.546 3.405 0 40 HGAB O=C(CN1CCCCC1)N1CCOCCOc2ccccc2Oc2ncccc2C1 643573886 PDIXWLNZXOXPFA-UHFFFAOYSA-N 411.502 3.097 0 40 HGAB O=C1CN(c2nc(C(F)(F)F)ns2)CCN1Cc1ccc(Br)cc1 1640261949 NDSAYKFPDXBSQD-UHFFFAOYSA-N 421.242 3.168 0 40 HGAB O=S(=O)(c1ccc(Br)cc1)N1CCC[C@H](COc2ccncc2)C1 1775971464 OVKOBTWPOCKXSU-AWEZNQCLSA-N 411.321 3.324 0 40 HGAB Cc1ccc(S(=O)(=O)N[C@H](Cc2c[nH]c3ccccc23)c2nnc(S)o2)cc1 2049251909 JIRLCVHBBGRHHN-QGZVFWFLSA-N 414.512 3.410 0 40 HGAB CC(C)(C)c1cn2nc(N3CCCN(Cc4nnc(C(F)(F)F)o4)CC3)ccc2n1 2087043808 WUEZOSIIBNLNHY-UHFFFAOYSA-N 423.443 3.141 0 40 HGAB COc1ccc(NCc2nnc(SCC(N)=O)n2-c2cccc(Cl)c2)cc1 925419 PABVKZJEXNOJDW-UHFFFAOYSA-N 403.895 3.119 0 40 HGAB CC[C@H](C)[C@H](NC(=O)[C@@H](C)Oc1ccc2c3c(c(=O)oc2c1)CCCC3)C(=O)O 2099385 MGHCIGMRLGCRMV-QUJCMNEKSA-N 401.459 3.055 0 40 HGAB biogenic CCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)CCN1CCC(C)CC1 2256652 MTAAAWKMCRBLHN-UHFFFAOYSA-N 417.506 3.422 0 40 HGAB CSCC[C@H](C(=O)Nc1nc2c(s1)CCCC2)N1C(=O)c2ccccc2C1=O 3248850 ZFPHBHZCBVZWTP-OAHLLOKOSA-N 415.540 3.378 0 40 HGAB O=C(COC(=O)[C@H]1COc2ccccc2O1)Nc1ncc(C(F)(F)F)cc1Cl 3300225 CWTJKPOYOGGPDQ-CYBMUJFWSA-N 416.739 3.076 0 40 HGAB COCCCNC(=S)N(Cc1cccnc1)Cc1cc2ccc(C)cc2[nH]c1=O 4127133 DNGHDJOOMHSMJW-UHFFFAOYSA-N 410.543 3.145 0 40 HGAB Cc1cccc(OCCCC(=O)OCC(=O)N2c3ccccc3NC(=O)C2(C)C)c1 4244618 RQUXHHPUZZBMIP-UHFFFAOYSA-N 410.470 3.461 0 40 HGAB COc1ccc(OC)c([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCN(C)C)c1 4301750 MSEGSKYCXNBBCW-OAQYLSRUSA-N 422.481 3.307 0 40 HGAB COc1ccc(CN2CCOCCN(Cc3ccc(OC)cc3)CCOCC2)cc1 4899018 RXQPORAVEQBPSG-UHFFFAOYSA-N 414.546 3.055 0 40 HGAB CCCN(CCC)S(=O)(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)cc1 4975763 RKSLLPKFWOHZET-MRXNPFEDSA-N 423.579 3.083 0 40 HGAB COc1ccc(C)cc1S(=O)(=O)Nc1ccc2c(c1)CCCN2C(=O)C1CC1 5099548 ORGGSDBGZGRPTL-UHFFFAOYSA-N 400.500 3.494 0 40 HGAB COc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCCN(C)C)[C@@H]3c1ccc(F)cc1 5351834 MTJMJLUGOBMOOU-HXUWFJFHSA-N 410.445 3.438 0 40 HGAB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)NCc3ccc(F)cc3)cc2)C1 6266323 IEEOVMJOQCJCLB-HZPDHXFCSA-N 404.507 3.422 0 40 HGAB Cc1ccc2c(c1)CCCN2CC(=O)N(C1CCCCC1)[C@H]1CCS(=O)(=O)C1 6510236 FITKZOSOZWQDNR-FQEVSTJZSA-N 404.576 3.096 0 40 HGAB CCOC(=O)COc1ccc(S(=O)(=O)Nc2ccccc2Br)cc1 6706673 HHVMLFFSKBAFNJ-UHFFFAOYSA-N 414.277 3.192 0 40 HGAB CCOc1ccccc1C(=O)N[C@H](C(=O)Nc1nnc(SCC)s1)C(C)C 6778619 ZEERZXHMZBLAFN-AWEZNQCLSA-N 408.549 3.442 0 40 HGAB CC(=O)Nc1cccc(C(=O)NCCN2C(=O)S/C(=C\c3ccccc3)C2=O)c1 7000332 GHUFOVVSYCWEIY-PDGQHHTCSA-N 409.467 3.111 0 40 HGAB O=C(NCc1nnc2ccccn12)c1cc(-c2ccccc2)c(N2CCOCC2)s1 8279890 UQYQXZDDNGFYOK-UHFFFAOYSA-N 419.510 3.224 0 40 HGAB C[C@@H](Sc1nnc(Cc2ccccc2F)n1N)C(=O)Nc1ccc2c(c1)CCC2 8753590 DLDIFUDSISERLO-CYBMUJFWSA-N 411.506 3.330 0 40 HGAB COc1cc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2C)cc(Br)c1O 8915522 BOEJGGJNABFYCG-OAHLLOKOSA-N 416.227 3.445 0 40 HGAB CCC(=O)N1CCc2ccc(NS(=O)(=O)c3cc(Cl)ccc3OC)cc2C1 8977022 BVYOZVJPKSFYSB-UHFFFAOYSA-N 408.907 3.444 0 40 HGAB CCc1cc2c(=O)n(CCC(C)C)c(S[C@H](C)C(=O)NC(=O)NC)nc2s1 11133921 GAINHKJTHODJKY-LLVKDONJSA-N 410.565 3.003 0 40 HGAB CCC(=O)N1CCc2cc([C@@H](O)CN3CCC(O)(c4ccccc4C)CC3)ccc21 12181128 LCJGAECNSALFPE-QHCPKHFHSA-N 408.542 3.311 0 40 HGAB CCc1ccc([C@H](C)NC(=O)CN2CCC(C(=O)Nc3ccccc3O)CC2)cc1 12774832 BIUWKRHMLWCXJZ-KRWDZBQOSA-N 409.530 3.483 0 40 HGAB CC(C)(C)c1cn2nc(N3CCC(NS(=O)(=O)c4ccccc4)CC3)sc2n1 12823512 BEGQWEAKGSZAMN-UHFFFAOYSA-N 419.576 3.036 0 40 HGAB COc1ccccc1[C@@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 12845420 VMDHFZSJXWQHMT-CVEARBPZSA-N 420.506 3.112 0 40 HGAB O=C(O[C@H]1CCc2ccccc21)[C@@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1 12852112 ZCUFJIQZNANXHE-APWZRJJASA-N 410.495 3.078 0 40 HGAB O=S(=O)(c1cccc(F)c1)N1CCN(Cc2ncc(-c3ccc(F)cc3)o2)CC1 12986402 QVCHOOLAERGOGL-UHFFFAOYSA-N 419.453 3.126 0 40 HGAB CCOC(=O)c1ccc(C)c(NC(=O)[C@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)c1 13671668 ISAPJROCHKDOAS-AWEZNQCLSA-N 422.478 3.104 0 40 HGAB CCCCCn1nc(C(=O)Nc2cccc(-c3nnnn3C)c2)c2ccccc2c1=O 14020668 GOXSMAISXGOIAC-UHFFFAOYSA-N 417.473 3.030 0 40 HGAB Cc1ccc(C)c(OC[C@H](O)CN2C(=O)N[C@@]3(C[C@H](C)CC(C)(C)C3)C2=O)c1C 14190398 KUKVDGZBMYAPEG-CGROQTEOSA-N 402.535 3.488 0 40 HGAB CNS(=O)(=O)c1ccc(NC(=O)c2cc(-c3ccccn3)nc3ccccc23)cc1 15623232 XXZUXVOKGNIPQX-UHFFFAOYSA-N 418.478 3.457 0 40 HGAB CCOc1nc(C)c(CC(=O)N2CCC(c3cc4ncccc4[nH]3)CC2)c(OCC)n1 19531330 NXAFQJMNLIBUAD-UHFFFAOYSA-N 423.517 3.407 0 40 HGAB CNC(=O)c1ccc(-c2cc(C)nc([C@@H]3CCCN3Cc3cn(C)nc3C)c2)cn1 19691058 SYMBLVZXJXJCIS-QFIPXVFZSA-N 404.518 3.191 0 40 HGAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1 20013602 RXIKSCGAFHZDHX-AWEZNQCLSA-N 410.923 3.237 0 40 HGAB COc1cc2c(cc1OC)N(C)S(=O)(=O)C(C(=O)Nc1ccc(F)cc1F)=C2C 20063971 SGIYCTGTKUQNED-UHFFFAOYSA-N 424.425 3.131 0 40 HGAB CCOC(=O)c1nnc2c(-c3ccc(Br)cc3)c(C(C)C)nn2c1N 20636114 ACFXOLRCYYGFEN-UHFFFAOYSA-N 404.268 3.436 0 40 HGAB Cc1ccc([C@@H](C)NC(=O)CN(c2ccc(OC(C)C)cc2)S(C)(=O)=O)cc1 22397516 BATZPENWUQVPJT-QGZVFWFLSA-N 404.532 3.426 0 40 HGAB CCN(CC)[C@H](CNC(=O)c1cc(OC)c2c(c1)OCCO2)c1cccc(OC)c1 22700631 RSFMXDQTAYZRKL-LJQANCHMSA-N 414.502 3.288 0 40 HGAB Cc1ccc(NC(=O)NC(=O)[C@H](C)Sc2nnnn2Cc2ccccc2)c(C)c1 23042538 BDXMZIYVXGYHGT-HNNXBMFYSA-N 410.503 3.167 0 40 HGAB O=c1ccc(-c2ccccc2Cl)nn1Cc1nc(-c2ccc3c(c2)OCO3)no1 23126821 WOGKYCQGBFSGSZ-UHFFFAOYSA-N 408.801 3.391 0 40 HGAB O[C@H](COCc1cccs1)CN1CCN(c2cccc(C(F)(F)F)c2)CC1 24632100 MZJADLNSIFQRAD-KRWDZBQOSA-N 400.466 3.467 0 40 HGAB COc1ccccc1CN(C)S(=O)(=O)c1cc(Br)ccc1OC 25653093 NVMUZFYFHHKLAJ-UHFFFAOYSA-N 400.294 3.287 0 40 HGAB COc1ccc(Cc2nnc(SCC(N)=O)n2Cc2ccccc2)cc1Cl 27517336 RNXJCSSOTQZEIB-UHFFFAOYSA-N 402.907 3.157 0 40 HGAB Cc1cc(I)cc(C)c1NC(=O)COC(=O)c1ccccc1N 32124897 RBCJIGFZBVEISQ-UHFFFAOYSA-N 424.238 3.286 0 40 HGAB Nc1c(Cl)c(Cl)nc(C(=O)OCC(=O)Nc2cccnc2Cl)c1Cl 39561004 MJYQIEOAAOEVGF-UHFFFAOYSA-N 410.044 3.468 0 40 HGAB CN(C)[C@@H](CNC(=O)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1)C1CCCCC1 40104759 SIULCVZBHXJITK-VQTJNVASSA-N 402.539 3.436 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)C(F)(F)c2ccccc2)c1 40114712 DOUMCDNBLKVSPS-UHFFFAOYSA-N 412.458 3.456 0 40 HGAB O=C(c1cnn2c(-c3ccccc3)ccnc12)N1CCC(c2nnc3ccccn23)CC1 40145110 XOKRGXYZLIFDEF-UHFFFAOYSA-N 423.480 3.459 0 40 HGAB Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(Nc4ccc(F)cc4)[nH]c(=O)c32)c(C)c1 40399623 RPICDZQYLAQUGH-OAHLLOKOSA-N 421.432 3.334 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCCC[C@H]2CCNC(=O)/C=C/c2ccco2)cc1 49486641 AYLJWGPNJIXGNW-PEKVBPLLSA-N 402.516 3.351 0 40 HGAB COc1ccc(-c2ccc(=O)n(CC(=O)Nc3cccc(Br)c3)n2)cc1 49547846 SBNBWACIHJAROP-UHFFFAOYSA-N 414.259 3.320 0 40 HGAB C[C@@H](C(=O)NCC(F)(F)F)N(c1ccccc1)S(=O)(=O)c1ccccc1F 49580957 FSROSEQHYRSGCG-LBPRGKRZSA-N 404.385 3.088 0 40 HGAB CS(=O)(=O)CCNC(=O)c1cc(-c2nc3ccccc3s2)nc2ccccc12 56880346 NRBFCQVEWQKJFY-UHFFFAOYSA-N 411.508 3.286 0 40 HGAB O=C(CSc1ncnc2nc(N3CCOCC3)sc12)Nc1cccc(Cl)c1 57506914 AEGNOXCFFNFYAQ-UHFFFAOYSA-N 421.935 3.307 0 40 HGAB CCSc1ccc(NC(=O)c2ccc(OC)c(S(=O)(=O)NC(C)C)c2)cn1 58011192 YJCJCTRWRUVRRU-UHFFFAOYSA-N 409.533 3.141 0 40 HGAB Cc1nc(-c2ccc(NC(=O)N(Cc3cccnc3)C[C@@H]3CCCO3)cc2)cc(=O)[nH]1 58105691 WNJHGZWWMLQUIW-FQEVSTJZSA-N 419.485 3.353 0 40 HGAB CCOc1ccccc1N1CCN(Cn2nnn(-c3ccc(C)cc3)c2=S)CC1 58160841 IKFYMWWDSIFVPX-UHFFFAOYSA-N 410.547 3.285 0 40 HGAB CCS(=O)(=O)Nc1ccc(NC(=O)N[C@H]2CCOc3ccccc32)cc1OC 60108270 JDNHFUCWIIGYRM-HNNXBMFYSA-N 405.476 3.102 0 40 HGAB Cc1sc(-n2cccc2)c(C(=O)OCC(=O)N2CCO[C@@H]3CCCC[C@H]32)c1C 60889274 GCPRJMMSZQBWTK-IAGOWNOFSA-N 402.516 3.482 0 40 HGAB Cc1cc(C)n(-c2ccc(N3CCC(C(=O)Nc4ccc(F)cc4F)CC3)nn2)n1 62163415 PFVNCOOJTQYOHD-UHFFFAOYSA-N 412.444 3.412 0 40 HGAB COc1ccccc1CNC(=O)CCn1ccn2nc(-c3ccc(F)cc3)cc2c1=O 67261072 SZGZDTKQJSUUQB-UHFFFAOYSA-N 420.444 3.017 0 40 HGAB CCCCc1ccc(NC(=O)Cn2ccn(-c3cc(F)ccc3C)c(=O)c2=O)cc1 67320425 NQUSHOVKBJSGDK-UHFFFAOYSA-N 409.461 3.428 0 40 HGAB O=C(CN1N=C(C(=O)Nc2ccccc2)CCC1=O)Nc1ccc(C(F)(F)F)cc1 67336687 YCLRYQUGNOBIRN-UHFFFAOYSA-N 418.375 3.261 0 40 HGAB Cc1c(Cl)cccc1NC(=O)C(=O)NC[C@](O)(c1ccccc1)C(F)(F)F 70636560 RUWOEVGKRJXEJV-KRWDZBQOSA-N 400.784 3.153 0 40 HGAB Cc1cccc(OCCc2c(C)nc(N3CCN(Cc4ccccc4)CC3)[nH]c2=O)c1 71405898 SYNGFKVMSRGNOG-UHFFFAOYSA-N 418.541 3.330 0 40 HGAB Cc1nc2nc([C@H]3CCCN(C(=O)c4ccccn4)C3)cc(C(F)(F)F)c2c(=O)[nH]1 72350872 NJVTZNVDOQEYOT-LBPRGKRZSA-N 417.391 3.060 0 40 HGAB CCN1C[C@@H](c2cc(NC)n3ncc(C(=O)Nc4ccc(Cl)cc4)c3n2)CC1=O 72352926 CBRQDXKBKFBUFP-LBPRGKRZSA-N 412.881 3.013 0 40 HGAB COCCN1CCN(c2ccc(NCc3cc4ccc(C)cc4[nH]c3=O)cc2)CC1 72396176 KBGNFAUGZHYBKW-UHFFFAOYSA-N 406.530 3.217 0 40 HGAB Cc1ccc(C(=O)N2CCN(C(=O)N(C)C)CC2(C)C)cc1NC(=O)c1ccccc1 95464415 OOORYIQVIYGVNO-UHFFFAOYSA-N 422.529 3.465 0 40 HGAB Cc1ccc(CNC(=O)C2=NO[C@@]3(CCCN(C(=O)CCc4ccccc4)C3)C2)cc1 96074451 QWUJBACEUVEETQ-VWLOTQADSA-N 419.525 3.382 0 40 HGAB CSc1ccc([C@H](O)CNS(=O)(=O)c2ccccc2OC(F)(F)F)cc1 96103236 HWGXDYOAXQYNLJ-CYBMUJFWSA-N 407.435 3.319 0 40 HGAB O=C(NCCN1C(=O)S/C(=C/c2ccc(OC(F)F)cc2)C1=O)c1cccnc1 96594304 ISEOJSOFQBDPOD-XNTDXEJSSA-N 419.409 3.149 0 40 HGAB CC(C)(C)C(=O)/C=c1\s/c(=C/c2ccc(F)cc2)c(=O)n1Cc1cccc(F)c1 96794381 RTGWZIKWQNGJHN-VVPWPQJISA-N 413.489 3.461 0 40 HGAB Oc1c(I)ccc(Br)c1I 98210639 KTNMLAQHPDRRTA-UHFFFAOYSA-N 424.801 3.364 0 40 HGAB CC(C)N1CCc2c(nc3cc([C@@H]4CCCN4C(=O)C4CCCCC4)nn3c2O)C1 100234255 RKVLJOXKSMJJFS-FQEVSTJZSA-N 411.550 3.445 0 40 HGAB CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1)C(=O)C2 103653847 ZODSJQBAILKPNP-WRGRXTPVSA-N 409.523 3.361 0 40 HGAB CCOC(=O)N(C)c1ccc(NC(=O)CCCN2C(=O)c3ccccc3C2=O)cc1 108805044 JFHZQBMNBFNNDL-UHFFFAOYSA-N 409.442 3.294 0 40 HGAB COc1ccc(-c2noc(CNC(=O)[C@@H](C)Oc3cc(C)cc(C)c3)n2)c(OC)c1 219552676 KYKNVINNEVSLKJ-OAHLLOKOSA-N 411.458 3.454 0 40 HGAB CC[C@H](C(=O)N[C@@H](C)CCc1ccccc1)N(c1cccc(OC)c1)S(C)(=O)=O 220624026 PDZBRKTXKFJUQP-LAUBAEHRSA-N 418.559 3.377 0 40 HGAB CCOc1ccc(CCCNC(=O)c2ccc(N(C)S(C)(=O)=O)cc2Cl)cc1 222523404 ZEYYBDXEKJOZFF-UHFFFAOYSA-N 424.950 3.497 0 40 HGAB S=C1N[C@H](c2ccccn2)[C@@H](c2ccc(Cl)s2)N1CCCN1CCOCC1 223168402 AGPJBCYIJMZNCQ-QZTJIDSGSA-N 423.007 3.491 0 40 HGAB Cc1ccc(C(=O)NCCCN(C)C)cc1N(C)S(=O)(=O)c1ccc(Cl)cc1 224318949 NVERLZBHOGYNBJ-UHFFFAOYSA-N 423.966 3.155 0 40 HGAB CCOC(=O)CN(c1cc(C(=O)OCC)ccc1C)S(=O)(=O)c1ccc(C)cc1 224697369 QURRWWVQEOYEQK-UHFFFAOYSA-N 419.499 3.239 0 40 HGAB Cc1ccc(-c2nnc(NC(=O)CN(c3ccc(C)cc3)S(C)(=O)=O)s2)cc1 224781561 MULUFXHDPZDHPQ-UHFFFAOYSA-N 416.528 3.227 0 40 HGAB COC(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)c1cc(Cl)ccc1Cl 224933926 NCQUESXXZVJRST-UHFFFAOYSA-N 418.254 3.090 0 40 HGAB CCn1c(=O)sc2cc(NC(=O)c3cccc(N(C)S(C)(=O)=O)c3C)ccc21 225119538 CTTYAOFKZYZOIE-UHFFFAOYSA-N 419.528 3.039 0 40 HGAB COc1ccc(Br)c(C(=O)NCc2cc(-c3cccnc3)nn2C)c1 238817725 BWKJCBKOEHEWLU-UHFFFAOYSA-N 401.264 3.183 0 40 HGAB CN(C(=O)c1c[nH]nc1[C@H]1CCCN(C(=O)C[C@@H]2CCCCO2)C1)C1CCCCC1 257252176 JTVAVPJEDXPVHC-HKUYNNGSSA-N 416.566 3.480 0 40 HGAB CS(=O)(=O)c1c[nH]nc1[C@@H]1CCN(C(=O)C2(c3ccccc3)CCCCC2)C1 257269210 MPANKZKNKYRZBV-MRXNPFEDSA-N 401.532 3.031 0 40 HGAB Cc1ncc(-c2cncc([C@@H]3CCCN(C(=O)c4n[nH]c5ccccc45)C3)n2)n1C 257275207 NOIOMBHKFGRRPY-OAHLLOKOSA-N 401.474 3.082 0 40 HGAB O=S(=O)(NCc1ccnc(-c2ccncc2)c1)c1ccccc1Br 390827577 HYWSPNOMYHOBFK-UHFFFAOYSA-N 404.289 3.385 0 40 HGAB CCNC(=O)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 408614863 IYIMUAOCVIYMIK-ZDUSSCGKSA-N 419.403 3.447 0 40 HGAB Cc1ccccc1CNC(=O)c1ccccc1NC(=O)C(=O)NCc1ccc(F)cc1 408707391 ABIRBPOOYQXVDW-UHFFFAOYSA-N 419.456 3.319 0 40 HGAB CC[C@H](C)OC(=O)CN1C(=O)S/C(=C/c2cc(OC)c(OC)c(OC)c2)C1=O 409212107 OXXBDLDWWGBIRE-ZRRZQRFHSA-N 409.460 3.090 0 40 HGAB CC[C@H](C)Oc1ccc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3OC)C2=O)cc1 409236744 GZGRQLLTLBOUON-SJPXOZHESA-N 423.469 3.404 0 40 HGAB Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)NCCCOC(C)C)cc1 409252747 SROJJJGMTXEHLF-UHFFFAOYSA-N 404.532 3.365 0 40 HGAB CCN1CCN(c2ccccc2NC(=O)N2CCC(C)(c3nc(C)no3)CC2)CC1 511938405 LGFRHEQMSPEFMJ-UHFFFAOYSA-N 412.538 3.106 0 40 HGAB O=C(c1ccc2[nH]c(=O)c(=O)[nH]c2c1)N1CCC[C@@H](c2cccc(C(F)(F)F)c2)C1 557408922 NTMGIYVHGDBLMP-CQSZACIVSA-N 417.387 3.255 0 40 HGAB COCc1cc(Cl)cc(S(=O)(=O)Nc2cc(C(C)C)nn2-c2ncccn2)c1 567290613 KNTRFURFMLCXHK-UHFFFAOYSA-N 421.910 3.386 0 40 HGAB COCCN(C[C@H]1CC2(CCN(C(=O)c3sc(C)nc3C)CC2)CO1)C(C)C 585105123 YSDZMDFVZBNLRH-GOSISDBHSA-N 409.596 3.128 0 40 HGAB CCN(CC)C1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2OC(F)F)CC1 1116010509 WWMUPSPILSYYFH-GOSISDBHSA-N 423.504 3.225 0 40 HGAB CC(C)(C)c1cn2nc(OCC3CCN(C(=O)[C@@H]4CCCCO4)CC3)ccc2n1 1888863588 WPTNOOBRWNHXJS-KRWDZBQOSA-N 400.523 3.213 0 40 HGAB O=C1CO[C@H]2CCN(C3CCN(c4ccccc4)CC3)C[C@@H]2CN1c1ccccc1 2037985863 ZASAQPADUSYGKO-YKSBVNFPSA-N 405.542 3.409 0 40 HGAB COc1ccc(C(=O)Nc2ccccc2C(=O)N[C@H](C(=O)N2CCCC2)C(C)C)cc1 846196 VTWUUEYFEIBAQN-NRFANRHFSA-N 423.513 3.324 0 40 HGAB O=S(=O)(NCc1ccccn1)c1cc(Br)ccc1Br 860694 QPWPDJQTVBKFJI-UHFFFAOYSA-N 406.099 3.085 0 40 HGAB CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1ccc2c(c1)OCO2 912395 LFIGHNQLBSRCNL-UHFFFAOYSA-N 412.471 3.337 0 40 HGAB Cc1cc(S(=O)(=O)N(Cc2ccco2)C2CCCCC2)ccc1-n1cnnn1 934263 IGAQQXKLMSPVEF-UHFFFAOYSA-N 401.492 3.087 0 40 HGAB COc1ccc([C@@H]2NC(=S)N[C@](O)(C(F)(F)F)[C@H]2C(=O)c2cccs2)cc1 1000488 GSFXSFLLWNKGBG-DVOMOZLQSA-N 416.446 3.026 0 40 HGAB Cc1ccc(S(=O)(=O)N(CC(=O)NC2CCCC2)Cc2ccc(F)cc2)cc1 1410938 NPGSQORCWNQUDG-UHFFFAOYSA-N 404.507 3.384 0 40 HGAB COCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccc(OC)c(OC)c1 2236962 NBQJPGAPFZONLO-FQEVSTJZSA-N 409.438 3.392 0 40 HGAB Cn1c(SCC(=O)N2CC(=O)Nc3ccccc32)nnc1-c1ccc(Cl)cc1 2640700 LSOVJCXTCRPOOV-UHFFFAOYSA-N 413.890 3.213 0 40 HGAB O=C(Nc1nc2ccc(S(=O)(=O)N3CCCC3)cc2s1)c1ccc(F)cc1 2694995 XXPRKSPIJVHXJD-UHFFFAOYSA-N 405.476 3.472 0 40 HGAB Cc1nn(-c2ccccc2)c2sc(C(=O)OCC(=O)N3C[C@@H](C)O[C@H](C)C3)cc12 3229191 CXRDSAMNKYXIPS-ZIAGYGMSSA-N 413.499 3.188 0 40 HGAB CCOC(=O)c1[nH]c(COC(=O)c2cc(OC)cc(OC)c2)c(C(=O)OCC)c1C 3311726 VLIHJUMQYLDMRE-UHFFFAOYSA-N 419.430 3.051 0 40 HGAB COc1ccc(CCNC(=O)COC(=O)/C=C/c2ccc(OC(F)F)cc2)cc1 3352193 HKADODMHSBOIDF-IZZDOVSWSA-N 405.397 3.212 0 40 HGAB Cc1cccc(S(=O)(=O)Nc2ccccc2C(=O)NCc2ccc3c(c2)OCO3)c1 3368285 GRVRGPOYJJLWSP-UHFFFAOYSA-N 424.478 3.455 0 40 HGAB CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)CC(=O)Nc1cccc(Cl)c1 3419755 CBXWILHNQPIUNV-UHFFFAOYSA-N 402.882 3.198 0 40 HGAB C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)NC(c1ccccc1)c1ccccc1)C2=O 3595905 WINBRVFGAIVQSL-XDHUDOTRSA-N 405.498 3.393 0 40 HGAB COc1cc(/C=C2\SC(=N)N(c3ccc4c(c3)OCO4)C2=O)cc(OC)c1O 4577804 HIWBRHNPKYABSM-CQRAXGMXSA-N 400.412 3.194 0 40 HGAB CCN(CC)CCNC(=O)CN1C(=O)c2ccccc2[C@H]1c1cn(C)c2ccccc12 4734628 CQJAQBYIDXSJSM-DEOSSOPVSA-N 418.541 3.182 0 40 HGAB Cc1ccccc1N(CC(=O)NC1CCCCC1)C(=O)CNC(=O)c1cccs1 4875797 JOLVZLVYBXPALC-UHFFFAOYSA-N 413.543 3.268 0 40 HGAB CCC(C)(C)NC(=O)[C@H](c1ccccc1OC)N(C(=O)c1csnn1)C1CC1 4965090 YZBQIWYQKNACMN-KRWDZBQOSA-N 402.520 3.197 0 40 HGAB Cc1ccc(C)c2sc(N3CCN(C(=O)[C@H]4COc5ccccc5O4)CC3)nc12 5182519 DBJXFYOPMZXRNN-GOSISDBHSA-N 409.511 3.402 0 40 HGAB COc1ccccc1NC(=O)CSc1nnc(-c2ccccn2)n1-n1cccc1 5242281 SPRIGPMBUDQGQE-UHFFFAOYSA-N 406.471 3.192 0 40 HGAB NC(=O)c1c(NC(=O)COC(=O)c2cccc(C(F)(F)F)c2)sc2c1CCC2 5981186 LCWCDEQDRVQRJS-UHFFFAOYSA-N 412.389 3.150 0 40 HGAB CC/C(NCc1cc(OC)cc(OC)c1)=C1/C(=O)NC(=O)N(c2ccccc2C)C1=O 6419629 RZHOYCLDNNYOFW-CZIZESTLSA-N 423.469 3.049 0 40 HGAB CSc1ccccc1C(=O)OCC(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 6585020 HPVOMUOPGGBYLR-UHFFFAOYSA-N 402.516 3.360 0 40 HGAB O=C(NCCNC(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1cnccn1 6661655 IEEGNNRSPRBNPW-UHFFFAOYSA-N 405.241 3.203 0 40 HGAB COC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1cc(Cl)cc(Br)c1OC 6849219 SSMLPGTXZUDWEH-GFCCVEGCSA-N 403.660 3.254 0 40 HGAB O=C(CSc1nnc(NC(=O)c2ccc(F)cc2)s1)NCc1ccccc1 7388380 JYGZERLKQYZECE-UHFFFAOYSA-N 402.476 3.338 0 40 HGAB CCC(=O)N(c1nnc(SCc2cc(=O)n3cc(C)ccc3n2)s1)C1CC1 7672964 ISYPMVDNLZINBL-UHFFFAOYSA-N 401.517 3.052 0 40 HGAB O=C(CNS(=O)(=O)c1ccc(F)cc1)Nc1ccc(OCc2ccccc2)cc1 8180838 NQMIPKXTMNOHSS-UHFFFAOYSA-N 414.458 3.322 0 40 HGAB O=C(C[C@H]1C=CCC1)N1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 8191774 KXVYHKCDKZWSER-ZDUSSCGKSA-N 403.331 3.183 0 40 HGAB O=C(CCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)N1CC[C@@H]2CCCC[C@H]2C1 8216240 LOVFYBVYTUVVBV-IRXDYDNUSA-N 405.502 3.080 0 40 HGAB CNS(=O)(=O)c1cc(C(=O)N(C)Cc2nc3ccccc3s2)ccc1Cl 8264814 NQQVFMIAWHUTKI-UHFFFAOYSA-N 409.920 3.130 0 40 HGAB COC(=O)c1ccc(C)c(NC(=O)[C@@H](C)N(c2cc(C)cc(C)c2)S(C)(=O)=O)c1 8319997 KFKUKHIVBWLQMJ-MRXNPFEDSA-N 418.515 3.192 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N[C@@H]2CCCc3ccccc32)cc1 8724234 PLYRYMOEUAAXPJ-NHCUHLMSSA-N 414.527 3.042 0 40 HGAB CC(=O)Nc1ccc(NC(=O)COc2cccc3ccc(N4CCOCC4)nc23)cc1 8769604 LWOXZWKJCFNFRE-UHFFFAOYSA-N 420.469 3.047 0 40 HGAB CC(C)C(=O)N1CCN(c2nc3sc4c(c3c(=O)n2-c2ccccc2)CCC4)CC1 9134098 FCNPLLNMHKWQFX-UHFFFAOYSA-N 422.554 3.241 0 40 HGAB C[C@@H](Sc1nncn1-c1ccccc1)C(=O)Nc1sc2c(c1C(N)=O)CCC2 9220379 WMURSVBYNOWTHR-LLVKDONJSA-N 413.528 3.036 0 40 HGAB Cc1ccc2c(c1)NC(SCC(=O)NCc1ccc(Cl)cc1)=NS2(=O)=O 9530215 IDUQBCNMRWHENS-UHFFFAOYSA-N 409.920 3.168 0 40 HGAB C[C@H](OC(=O)[C@@H](C)NC(=O)COc1ccccc1)C(=O)C12CC3CC(CC(C3)C1)C2 9690641 UIBQEZPSWHLIES-SBOQHKNFSA-N 413.514 3.287 0 40 HGAB CS(=O)(=O)c1ccc(-c2nnc(NC(=O)CCSc3ccc(F)cc3)o2)cc1 9707678 YPYXGGMZVXYMCX-UHFFFAOYSA-N 421.475 3.400 0 40 HGAB O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)COc2ccc(Cl)cc2)CC1 10216293 AIQGJIHSTFCUCG-UHFFFAOYSA-N 416.861 3.325 0 40 HGAB COc1ccc(CCCN(C)C(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)cc1OC 11672130 RQOFCJJEYGOPFR-QGZVFWFLSA-N 400.450 3.360 0 40 HGAB COc1ccccc1CCNC(=O)[C@@H]1CCCN(C(=O)c2cc3ccccc3[nH]2)C1 12321667 VUKUJFKTUGTWGR-LJQANCHMSA-N 405.498 3.388 0 40 HGAB COCCOc1ccc(CN2CCC(c3cc(O)nc(-c4cnccn4)n3)CC2)cc1 12327313 HPDUWMYQVACSHK-UHFFFAOYSA-N 421.501 3.044 0 40 HGAB O=C(Cc1cnc(-c2c(Cl)cccc2Cl)s1)N[C@@H]1C=CS(=O)(=O)C1 12391053 VSWBIVDZNNLCQQ-SECBINFHSA-N 403.312 3.086 0 40 HGAB CCN1C(SCC(=O)NCc2ccccc2Cl)=NS(=O)(=O)c2ccccc21 12414825 LGHNBBIXASSTHX-UHFFFAOYSA-N 423.947 3.274 0 40 HGAB COc1ccccc1[C@H](NC(=O)c1nc(SC)ncc1Cl)c1nccn1C 12535494 UQGFMQMSBQTGTF-AWEZNQCLSA-N 403.895 3.113 0 40 HGAB COc1ccc([C@H](CNC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)N2CCCC2)cc1 12754332 UBOBNMYEBPJCJE-OFNKIYASSA-N 421.541 3.310 0 40 HGAB CCOc1ccc([C@H](CNC(=O)c2ccc(C)c(F)c2)N2CCOCC2)cc1OC 12816109 OFCBUWJZCZIBPU-FQEVSTJZSA-N 416.493 3.345 0 40 HGAB COc1ccc(S(=O)(=O)N2c3ccccc3C[C@H]2C)cc1C(=O)N1CCCCC1 12854609 XCMPCWCJFUROKC-MRXNPFEDSA-N 414.527 3.461 0 40 HGAB Cc1cccc(OC[C@H](O)CN2CCCN(c3ccc(C(F)(F)F)cn3)CC2)c1 12905288 DLIONJIXNAEDCJ-GOSISDBHSA-N 409.452 3.361 0 40 HGAB CC(=O)CCc1ccc(OS(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(C)=O)cc1 12968798 ZKVCNGDZJYVQEF-CQSZACIVSA-N 401.484 3.273 0 40 HGAB Cc1ccc(Nc2nc3c(c(=O)n(C)c(=O)n3C)n2CCc2ccccc2)cc1C 13511767 GGDBLEVEAQJBRY-UHFFFAOYSA-N 403.486 3.037 0 40 HGAB COC(=O)C1CCN(C(=O)Cc2c(C)c3c(cc(C)c4c(C)coc43)oc2=O)CC1 13655949 OMFYUWONZPLBCC-UHFFFAOYSA-N 411.454 3.419 0 40 HGAB O=C(Cc1csc(NS(=O)(=O)c2ccc(Cl)cc2)n1)Nc1ccc(O)cc1 13720976 UDZUVIQCSUAARY-UHFFFAOYSA-N 423.903 3.484 0 40 HGAB Cc1ccc(OCC(=O)N(C)Cc2nc3ccsc3c(=O)[nH]2)c(Br)c1 14372038 PWVZYVJOMBOASA-UHFFFAOYSA-N 422.304 3.093 0 40 HGAB COc1ccc(Br)cc1S(=O)(=O)NCCCOC1CCCCC1 15359810 GQYAWPWNOHHJER-UHFFFAOYSA-N 406.342 3.475 0 40 HGAB COc1ccc(Cl)cc1NC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1 16227000 HZQZNYJIHQFVQZ-UHFFFAOYSA-N 424.906 3.151 0 40 HGAB COc1ccc(C2(C(=O)N3CCN(c4ccccc4OC)CC3)CCOCC2)cc1 16985544 IPRGRFLODHMJRS-UHFFFAOYSA-N 410.514 3.101 0 40 HGAB C[C@H]1C[C@@H](C)CN(C(=O)C(=O)c2cn(CC(=O)N3CCCCC3)c3ccccc23)C1 17244213 YXNMRDANZVRYEI-HDICACEKSA-N 409.530 3.341 0 40 HGAB Cc1ccc2c(c1)C(=O)CC1(CCN(C(=O)[C@@H](C)Cn3nnc4ccccc43)CC1)O2 19218103 GXSIHHKSMXYVSP-KRWDZBQOSA-N 418.497 3.402 0 40 HGAB COc1ccccc1CN1CCC(c2n[nH]cc2C(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 19497347 DBYOCWTVEMLRTR-IRXDYDNUSA-N 412.534 3.047 0 40 HGAB COc1ccc(CC(=O)N[C@H](Cc2cc(=O)[nH]c(C)n2)c2ccc(F)cc2)cc1C 19571233 UFVITAWAXAJDNW-HXUWFJFHSA-N 409.461 3.177 0 40 HGAB CN1CCN(c2cc(C(=O)N3CCC(c4noc5cc(F)ccc45)CC3)ccn2)CC1 19590088 XXBOHOHYRXMQOC-UHFFFAOYSA-N 423.492 3.134 0 40 HGAB CCOC1CCN(C(=O)c2ccc([C@H]3CCCN(Cc4ccccn4)C3)nc2)CC1 19706012 NPFYBJLGFBITDT-FQEVSTJZSA-N 408.546 3.497 0 40 HGAB C[C@@H]1Cc2ccccc2N1C(=O)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1 20450656 MFCHPSQZZAEXKA-MRXNPFEDSA-N 416.518 3.345 0 40 HGAB COc1ccc(OC)c(NC(=O)COc2cc(C)nc(N3CCCCCC3)n2)c1 21360823 FKXMHCDJFQWMKM-UHFFFAOYSA-N 400.479 3.200 0 40 HGAB COc1ccccc1NS(=O)(=O)c1cccc(NC(=O)c2ccc3[nH]nnc3c2)c1 22705515 KHVZBASNPUXFRW-UHFFFAOYSA-N 423.454 3.020 0 40 HGAB C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CN1CCN(C/C=C/c3ccccc3)CC1)C2=O 22912899 SCBRETFCOAJVSN-DTZSWRJXSA-N 424.589 3.412 0 40 HGAB CN1CCN(C(=O)C2CCN(C(=O)c3cccs3)CC2)c2nc3ccccc3nc21 25091358 YTXNVMUMNOEZRG-UHFFFAOYSA-N 421.526 3.027 0 40 HGAB COC(=O)c1ccc2c(c1)CCN2C(=O)CCNC(=O)c1ccc(C(C)(C)C)cc1 25180386 JSJTWQZIGUAJPM-UHFFFAOYSA-N 408.498 3.480 0 40 HGAB O=C(NCc1ccccc1Cn1ccnc1)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 25665936 WFBPRAGUPXBACX-OAQYLSRUSA-N 417.513 3.492 0 40 HGAB CCCCn1c(CCC(=O)N[C@H](C)CCC)nc2cc(S(=O)(=O)N(C)C)ccc21 27460895 HYWQUYGWQGPCIP-MRXNPFEDSA-N 422.595 3.324 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)Nc2ccccc2OC)c(C)c1 28207706 ARMWQAJMNPOQMC-UHFFFAOYSA-N 406.504 3.052 0 40 HGAB CCc1ccc(O[C@H](C)C(=O)N(Cc2cccc(F)c2)[C@@H]2CCS(=O)(=O)C2)cc1 28228665 AJMZAQCWXWOELT-OXQOHEQNSA-N 419.518 3.371 0 40 HGAB COCCOc1ccc(CNS(=O)(=O)c2ccc(Br)c(C)c2)cc1 30436785 FBJUSWDWBRHPBX-UHFFFAOYSA-N 414.321 3.261 0 40 HGAB Cc1cccc(CS(=O)(=O)N2CCC(C(=O)NCCCc3ccccc3)CC2)c1 30859352 VPOLWIJGVNVWHL-UHFFFAOYSA-N 414.571 3.286 0 40 HGAB COc1ccc(OC)c(CCC(=O)N2CCN(C(=O)c3ccc(Cl)cc3)CC2)c1 32753846 CKDUKQYBKLJLBQ-UHFFFAOYSA-N 416.905 3.274 0 40 HGAB CCCCc1ccc(N2C[C@@H](C(=O)Nc3ccc4c(c3)NC(=O)CO4)CC2=O)cc1 32795948 KNFBDAQXFNYGRY-INIZCTEOSA-N 407.470 3.352 0 40 HGAB CNc1nc(SC[C@@H](O)COc2ccc(C(C)=O)cc2OC)nc2ccccc12 32895652 FGCVRRVBHVGLNJ-HNNXBMFYSA-N 413.499 3.415 0 40 HGAB Cc1ccc(N2C(=O)C[C@@H](N3CCc4cc5c(cc4[C@@H]3C)OCCCO5)C2=O)cc1 35808547 JLYOQKZEHUMFGU-OXJNMPFZSA-N 406.482 3.408 0 40 HGAB CCOC(=O)CSc1nnc(NC(=O)C2=Cc3cccc(OCC)c3OC2)s1 40129014 ZSYNRLPLHMOORL-UHFFFAOYSA-N 421.500 3.007 0 40 HGAB Cc1cc2nc(C)c(CCC(=O)Nc3ccc(N4CCC(O)CC4)cc3)c(C)n2n1 48300384 BUWUHZVLSZJFSN-UHFFFAOYSA-N 407.518 3.187 0 40 HGAB Cc1cccc([C@H](CNS(=O)(=O)c2cccc(Cl)c2C)N2CCOCC2)c1 48302541 HTAUEXUGEMRQLU-IBGZPJMESA-N 408.951 3.309 0 40 HGAB Cc1nnc(NC(=O)CSc2nnc(CCc3nc4ccccc4s3)o2)s1 49029057 YZJWPQNFCPDTLM-UHFFFAOYSA-N 418.529 3.355 0 40 HGAB Cc1ccccc1-c1cc(C(=O)N2CCC(NC(=O)Cc3cccs3)CC2)[nH]n1 49406842 FGKCKOBEMPNNTB-UHFFFAOYSA-N 408.527 3.410 0 40 HGAB C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccc2c(c1)CCC2 54286106 VAYDDCUCZDAZRQ-QGZVFWFLSA-N 412.555 3.453 0 40 HGAB Cc1cc(S(=O)(=O)N(C)c2ccc(Br)cc2F)sc1C(=O)O 57123497 WRRMHDAEOMCBGY-UHFFFAOYSA-N 408.270 3.481 0 40 HGAB CC(C)OC(=O)c1nnc2sc(-c3ccc(I)cc3)nn12 57339045 JSBIMNWAMPMTJG-UHFFFAOYSA-N 414.228 3.023 0 40 HGAB CCOC(=O)c1ccccc1NC(=O)Cn1c(-c2cccc(F)c2)nc(CC)cc1=O 57508176 QFIWVTXJIBPYNX-UHFFFAOYSA-N 423.444 3.427 0 40 HGAB COCCn1ncc2ccc(NC(=O)/C=C/c3ccc(N4CCCC4=O)cc3)cc21 58023987 SJXNVWPCGFQPKV-IZZDOVSWSA-N 404.470 3.461 0 40 HGAB CN(C1CCN(c2ccccn2)CC1)S(=O)(=O)c1cccc(OC(F)(F)F)c1 58328261 AYSNEWGNDOFNKF-UHFFFAOYSA-N 415.437 3.270 0 40 HGAB O=C(Nc1ccc2c(c1)CCC(=O)N2Cc1ccc(Cl)cc1)[C@H]1COCCO1 65806800 FWJSJOCDBWWXCW-LJQANCHMSA-N 400.862 3.173 0 40 HGAB CC[C@@H](NC(=O)c1cc(S(N)(=O)=O)ccc1Br)c1ccc(C)cc1 68957541 YZZBNYZFTSDSLV-MRXNPFEDSA-N 411.321 3.286 0 40 HGAB Cc1c(C(=O)N[C@@H](C)C(C)C)nnn1-c1cccc2c1CCN(Cc1cccnc1)C2 69974034 DBOZEHYVMKIJBX-KRWDZBQOSA-N 418.545 3.303 0 40 HGAB O=C(NCc1nc(CN2CCN(Cc3cccs3)CC2)cs1)c1ccccc1 72309049 AZTFVKWNSNHEFP-UHFFFAOYSA-N 412.584 3.452 0 40 HGAB C[C@H](NC(=O)CN1CCN(C(=O)c2ccc(O)cc2)CC1)c1cccc2ccccc12 72311920 FOFOHLUNOQLBEY-SFHVURJKSA-N 417.509 3.181 0 40 HGAB C[C@@H](Cc1ccc2c(c1)OCO2)CN1CCc2nc(-c3ccncc3)nc(O)c2C1 72339815 STTZFGNGQQJLRS-HNNXBMFYSA-N 404.470 3.210 0 40 HGAB O=C(CN1CCC[C@@H]1c1cc(CCOc2ccccc2Cl)[nH]n1)N1CCCC1 72378314 LESLYNRPVDTUDW-LJQANCHMSA-N 402.926 3.444 0 40 HGAB Cc1cc2c(cc1CN1CCC[C@H](c3cc(=O)[nH]c(-c4ccccn4)n3)C1)OCO2 72393270 CVOLSSIDFMAHPS-INIZCTEOSA-N 404.470 3.249 0 40 HGAB CN(C)[C@@]1(CNC(=O)Nc2ccc(N3CCSCC3)c(Cl)c2)CCSC1 79015204 YLOCPYQYVGQEIJ-GOSISDBHSA-N 415.028 3.452 0 40 HGAB Cc1cnn(-c2ccc(C(N)=O)cc2NS(=O)(=O)c2cccc(C(F)(F)F)c2)c1 95460452 GMMMKDNYKMHMJH-UHFFFAOYSA-N 424.404 3.099 0 40 HGAB COc1ccc([C@@H]2CC(c3cc(OC)cc(OC)c3)=NN2C(=O)CCC(=O)O)cc1 95532106 YKJAIANSYDZGEO-FQEVSTJZSA-N 412.442 3.255 0 40 HGAB CCC[C@H](NC(=O)c1ccc(OC)c(Br)n1)c1nnc2ccccn12 96005653 OMSAVNYDXQEUGJ-NSHDSACASA-N 404.268 3.167 0 40 HGAB O=C(CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)Nc1nc(-c2ccccc2Cl)cs1 102349548 KOYRWDYYAZQPQS-VXGBXAGGSA-N 401.875 3.353 0 40 HGAB COc1ccc(N([C@H](C)C(=O)Nc2ccc(C)cc2C)S(C)(=O)=O)cc1OC 220224795 MJAPDXOVOQYRLZ-OAHLLOKOSA-N 406.504 3.114 0 40 HGAB CCc1ccc(N([C@@H](C)C(=O)Nc2ccc(OC)cc2OC)S(C)(=O)=O)cc1 220264218 KYYHEMHXKIECEC-AWEZNQCLSA-N 406.504 3.059 0 40 HGAB COc1ccc(S(=O)(=O)NCC2=CCCCC2)cc1I 223981925 GEXAJTFJNBSWIX-UHFFFAOYSA-N 407.273 3.079 0 40 HGAB CCNC(=O)[C@]1(Cc2ccccc2-c2cncnc2)CCCN(C(=O)[C@@H]2C[C@H]2C)C1 253592845 ZVWXITKBPUOMQV-JKHABCDFSA-N 406.530 3.087 0 40 HGAB Cc1nn(C)cc1S(=O)(=O)N1CCCC[C@H]1c1ncc(Cc2cccc(F)c2)o1 257314248 UWACTYHVPKMWGJ-SFHVURJKSA-N 418.494 3.362 0 40 HGAB Cc1cc(C)cc(CN2C[C@H](c3cccnc3)[C@@]3(C2)OCCN(CC2CC2)C3=O)c1 306127647 GEBFPOKBYIOBEZ-ILBGXUMGSA-N 405.542 3.305 0 40 HGAB CC(C)n1cc(CN2C[C@@H]3c4cc(-c5cccnc5)ccc4S(=O)(=O)[C@@H]3C2)cn1 306131178 JYFAAZOPCFRDAU-IFMALSPDSA-N 408.527 3.281 0 40 HGAB COc1cccc2cc(C(=O)N3CCC(n4cnc5ncccc5c4=O)CC3)oc12 390830584 MARYBWRKDKVFQC-UHFFFAOYSA-N 404.426 3.024 0 40 HGAB O=C(NCc1cccnc1)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1 409411912 NKGGWHRHRAOCBG-UHFFFAOYSA-N 401.875 3.466 0 40 HGAB COCc1cc(Cl)cc(S(=O)(=O)N2CCC[C@@H](c3nncn3C(C)C)C2)c1 558466840 MDIDDHNOFHWWGQ-OAHLLOKOSA-N 412.943 3.227 0 40 HGAB CCN1C(=O)CC[C@H](C(=O)N[C@H](C)c2nccn2-c2ccccc2)[C@H]1c1ccncc1 571714345 RALHVEFPXMHWFL-PIPMEXSNSA-N 417.513 3.444 0 40 HGAB O=C1NCCOCCOc2ccc(-c3ccc(F)cc3F)cc2CN2CCC[C@@H]12 643570739 JUFXBSGYFTVBCU-FQEVSTJZSA-N 402.441 3.121 0 40 HGAB C[C@@H]1OC[C@]2(CC[C@@H](CNC(=O)c3c[nH]c4ncc(Br)cc34)O2)[C@@H]1C 1652140641 IOHVDNHNHOGLGV-KACXOKKCSA-N 408.296 3.028 0 40 HGAB CC(=O)c1ccc(NC(=O)Cn2cnc3c(cnn3-c3ccccc3Cl)c2=O)cc1 1330898 KHKPUOPCCUEHEA-UHFFFAOYSA-N 421.844 3.077 0 40 HGAB O=C(NC1CCCC1)[C@@H](c1ccccn1)N(C(=O)c1csnn1)c1ccccc1 1357003 YUXGVCQOLWZCOD-LJQANCHMSA-N 407.499 3.380 0 40 HGAB COc1cccc(OC)c1C(=O)Nc1c2c(nn1-c1ccc(C)cc1)C[S@](=O)C2 2725074 YVGZRIVTAVDEEN-LJAQVGFWSA-N 411.483 3.213 0 40 HGAB CCN(CC)C[C@H](C)NC(=O)[C@@H](C)n1nc(C(F)(F)F)c(Br)c1C 2780822 RXYGVGZLPDFBPQ-GXSJLCMTSA-N 413.282 3.380 0 40 HGAB COc1ccc(C(=O)COC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccco2)cc1 2937334 SLHCBQZPIUBKAR-LJQANCHMSA-N 407.422 3.055 0 40 HGAB Cc1ccc2c(CC(=O)OCC(=O)Nc3sc4c(c3C(N)=O)CCC4)coc2c1 3302193 NUSFVXYTXZMEAT-UHFFFAOYSA-N 412.467 3.115 0 40 HGAB Cc1ccccc1-n1c(SCC(=O)NC[C@@H]2CCCO2)nnc1-c1ccncc1 3386131 NOOBVQXECWIDGO-KRWDZBQOSA-N 409.515 3.025 0 40 HGAB Cc1cccc(C)c1NC(=O)CNC(=O)c1ccc(I)cc1 3562556 XEJMQMORCVSWFM-UHFFFAOYSA-N 408.239 3.277 0 40 HGAB COc1ccc(CCN2CC(=O)N3CCc4c([nH]c5ccc(F)cc45)[C@@]3(C)C2=O)cc1 4073200 SEJMPTHUIWOFHO-DEOSSOPVSA-N 421.472 3.000 0 40 HGAB biogenic CC[C@H]1CCCCN1CC(=O)Nc1c(C(=O)OC)[nH]c2cc(OC)c(OC)cc12 4837579 PJHAJYOWYUVRSL-ZDUSSCGKSA-N 403.479 3.175 0 40 HGAB CC(=O)N[C@@H](C(=O)NCc1ccc(Cl)cc1)C(=O)Nc1ccc(C(C)C)cc1 5614076 IFJZZANTQQUPNH-IBGZPJMESA-N 401.894 3.223 0 40 HGAB O=C(CN1C(=O)C(=O)N(C2CCCC2)C1=O)Nc1ccc(Oc2ccccc2)cc1 5628930 HAKYULJTAYVYLE-UHFFFAOYSA-N 407.426 3.151 0 40 HGAB COc1ccc(C(=O)N(Cc2cccc(F)c2)[C@@H]2CCS(=O)(=O)C2)cc1Cl 6811102 BMIQGMDQGZNTBK-MRXNPFEDSA-N 411.882 3.317 0 40 HGAB COc1cc(COC(=O)CCN2C(=O)COc3ccccc32)ccc1OC(F)F 7224477 RFHIXKPPESWYHC-UHFFFAOYSA-N 407.369 3.156 0 40 HGAB COc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccc(C)c(F)c4)ccn3n2)cc1 7615962 SDQRQULLATYHLO-UHFFFAOYSA-N 406.417 3.258 0 40 HGAB CON(C)S(=O)(=O)c1cccc(C(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)c1 7814815 RAMNYKZSHWPNMT-LFPRZYRFSA-N 406.548 3.203 0 40 HGAB COc1ccc(N2C[C@H](C(=O)O[C@@H](C)C(=O)c3ccc(C)cc3)CC2=O)c(OC)c1 7881540 IQBCIEUPPMDWIB-DOTOQJQBSA-N 411.454 3.180 0 40 HGAB CCOc1ccc(CCNC(=O)COC(=O)c2cccnc2SC)cc1OCC 7982815 ICNMBBBDBCILPU-UHFFFAOYSA-N 418.515 3.117 0 40 HGAB NC(=O)[C@H]1Cc2ccccc2CN1C(=O)/C=C/c1cc(Br)ccc1F 8036235 ZQGVIEJFSPCKPW-ZGRWHYIRSA-N 403.251 3.040 0 40 HGAB O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1cc2c(s1)CCCCC2 8071856 NHPDROLDXKXQFP-UHFFFAOYSA-N 420.556 3.290 0 40 HGAB O=C(CSc1nnnn1C1CC1)N1CCC(c2nc3ccccc3s2)CC1 8128920 SQLUARUFDWSAOD-UHFFFAOYSA-N 400.533 3.116 0 40 HGAB COC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)Nc2cccc(Cl)c2)cc1 8413656 LSYZSEGHLVJODQ-UHFFFAOYSA-N 418.833 3.027 0 40 HGAB O=C(Cn1cc(S(=O)(=O)c2ccc(F)cc2)c2ccccc21)NCc1ccncc1 8865853 BJYVLCRTSKVIAH-UHFFFAOYSA-N 423.469 3.325 0 40 HGAB C[C@@H](C(=O)Nc1ccc(F)cc1)N1C(=O)N2CCc3c([nH]c4ccccc34)[C@@]2(C)C1=O 8918281 MCLCIWBOSQQDRY-NPMABZOXSA-N 420.444 3.370 0 40 HGAB biogenic Cc1ccc(-c2nn(CC(=O)NCc3ccccc3)c(=O)c3nc(C)sc23)cc1 8955128 YGQVBNNONIGWPR-UHFFFAOYSA-N 404.495 3.453 0 40 HGAB Cn1cc(C(=O)Nc2cccc3ccccc23)c2[nH]c(=O)n(Cc3ccccc3)c(=O)c21 9821376 LWPQYCDVMIODSU-UHFFFAOYSA-N 424.460 3.482 0 40 HGAB Cc1ccc(N2CCCn3c2nc2c3c(=O)n(CC(C)C)c(=O)n2C)cc1Cl 10104822 JBKKBLPQMUVPCU-UHFFFAOYSA-N 401.898 3.056 0 40 HGAB CC1=C(C(=O)N2CCOCC2)[C@H](c2ccc(Cl)cc2Cl)n2nc(C)nc2N1 10157079 PJECQQWFNMBCJK-INIZCTEOSA-N 408.289 3.041 0 40 HGAB Cc1cc(C(=O)Nc2ccccc2C(=O)NCC(C)C)ccc1NS(C)(=O)=O 10336791 GRJXYYUIOUGYIK-UHFFFAOYSA-N 403.504 3.005 0 40 HGAB CCOCCCNC(=O)c1ccc(CN(c2cccc(Cl)c2)S(C)(=O)=O)cc1 10360503 TZDZBZASRAYZPT-UHFFFAOYSA-N 424.950 3.463 0 40 HGAB NC(=O)c1c(NC(=O)COC(=O)COc2ccc3ccccc3c2)sc2c1CCC2 10592374 BURADJWIUYHPAW-UHFFFAOYSA-N 424.478 3.050 0 40 HGAB Cc1cc(C(=O)Cn2nnn(-c3cccs3)c2=O)c(C)n1CCc1cccs1 10815287 JXOIKFFPYVLUDX-UHFFFAOYSA-N 413.528 3.096 0 40 HGAB CCCCOc1ccc(S(=O)(=O)N2CCN(C(=O)OCC)CC2)cc1C(C)C 11566001 DIYMNNCVAVYTLA-UHFFFAOYSA-N 412.552 3.452 0 40 HGAB O=C(NCc1ccco1)[C@@H]1Cc2[nH]cnc2CN1Cc1ccc(C(F)(F)F)cc1 12530214 ABGGYRSRQRRRBX-SFHVURJKSA-N 404.392 3.265 0 40 HGAB biogenic,in-vitro COCCN(Cc1cccs1)C(=O)COc1ccc2c3c(c(=O)oc2c1)CCC3 12863347 IWQDPWPACXQGKN-UHFFFAOYSA-N 413.495 3.397 0 40 HGAB Cc1ccc([C@H](CNC(=O)c2nc(-c3ccco3)sc2C)N2CCOCC2)o1 12948944 SXFMUWBTOYVDJO-HNNXBMFYSA-N 401.488 3.416 0 40 HGAB COc1ccc([C@H](C)NC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCC4)cc1F 12999725 AHPAQXVHYGCCBI-NSHDSACASA-N 415.490 3.431 0 40 HGAB CCOc1ccc(OCCC(=O)OCC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 13003879 AXUAENALZPRXNQ-UHFFFAOYSA-N 401.503 3.482 0 40 HGAB COC(=O)[C@@H]1[C@@H](c2ccc(Br)cc2)N1S(=O)(=O)c1ccc(C)cc1 13410670 VRNANQYWHOYGEU-IEAUQHRDSA-N 410.289 3.045 0 40 HGAB Cn1c(SCc2ccccc2)nc(=O)c2c1NC(=O)C[C@@H]2c1ccc2c(c1)OCO2 13567474 KLHZKPSDSKVNDQ-OAHLLOKOSA-N 421.478 3.275 0 40 HGAB COc1ccc(F)cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(C)cc2C)C1 13580607 DXAKLMCMUTYQLX-INIZCTEOSA-N 420.506 3.491 0 40 HGAB COc1ccc(F)cc1S(=O)(=O)N(C)CC(=O)Nc1cc(Cl)cc(Cl)c1 13580994 GGMQGVWCSAIRFA-UHFFFAOYSA-N 421.277 3.400 0 40 HGAB Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCCCN2CCCC2)cc1 13647617 PGLSKGRVWLXVJE-UHFFFAOYSA-N 401.532 3.012 0 40 HGAB CC[C@@H](C(=O)Nc1cc(C(=O)OC)ccc1Cl)N(c1ccccc1)S(C)(=O)=O 13711604 RUCLYIHCOWGELR-KRWDZBQOSA-N 424.906 3.310 0 40 HGAB Cc1cc(C(=O)CN2C(=O)N[C@@](C)(c3ccccc3Br)C2=O)c(C)[nH]1 14199098 AVTUKRHYNDTXGM-SFHVURJKSA-N 404.264 3.044 0 40 HGAB Cc1ccc(NC(=O)CSCC(=O)Nc2cc(S(C)(=O)=O)ccc2C)cc1 15817017 TZINFJQTVLAXDS-UHFFFAOYSA-N 406.529 3.017 0 40 HGAB Cc1cc(C)cc(NC(=O)COc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1 16269201 VXIIEQMSEIYPBW-UHFFFAOYSA-N 402.516 3.496 0 40 HGAB COc1ccc([C@@H](c2ccccc2)N2CCN(C(=O)[C@H](C)n3ccnc3)CC2)cc1 19079065 XDNJWNOFZUCUIB-WMZHIEFXSA-N 404.514 3.387 0 40 HGAB COc1ccc(Cl)cc1NC(=O)[C@H](C)n1nc(-c2cccs2)cc(N)c1=O 19080497 WUVPHFOTTJGQRC-JTQLQIEISA-N 404.879 3.416 0 40 HGAB Cc1cccc2c(=O)[nH]c(CSc3nnc([C@@H]4COc5ccccc5O4)o3)nc12 19314702 XZZXLPDIXMYZIV-HNNXBMFYSA-N 408.439 3.419 0 40 HGAB O=C(c1ccccc1)[C@H]([C@H](c1ccc(Cl)cc1)N1CCOCC1)N1CCOCC1 19365989 LQPJSIJIFALWEP-VXKWHMMOSA-N 414.933 3.297 0 40 HGAB COCC(=O)N1CC[C@](Cc2ccc(-c3ccsc3)cc2)(C(=O)NC(C)C)C1 19449233 IYOOUEIMBMKCAR-JOCHJYFZSA-N 400.544 3.347 0 40 HGAB CCc1oc2ccccc2c1CN1C[C@@H](c2cccnc2)[C@@]2(COCCC(=O)N2)C1 19521361 GTATWWDTMPCUFL-RDPSFJRHSA-N 405.498 3.265 0 40 HGAB CCn1cc(CN2CC[C@](Cc3ccc(-c4ccccc4OC)cc3)(C(N)=O)C2)cn1 19524894 MPGKWVCCMLPMNB-RUZDIDTESA-N 418.541 3.499 0 40 HGAB Cc1ccc([C@@H](C)C(=O)N2CCC(c3nc(CN(C)C)cc(N(C)C)n3)CC2)cc1 19710163 WHDJTXSAUKEYEP-GOSISDBHSA-N 409.578 3.422 0 40 HGAB COc1ccccc1CNC(=O)c1cnc(C2CCN(C(=O)CC(C)C)CC2)nc1C 19766552 ZGOJLQNRHSZIQT-UHFFFAOYSA-N 424.545 3.476 0 40 HGAB O=C1Nc2ccccc2CC[C@H]1Sc1nnnn1-c1ccc(Br)cc1 20739213 HDQJMYFYVLFOSR-OAHLLOKOSA-N 416.304 3.470 0 40 HGAB C[C@@H](Sc1nnc(N2CCCC2)n1Cc1ccco1)C(=O)NCc1ccccc1 21701713 SADFGQXZEUCOCY-MRXNPFEDSA-N 411.531 3.317 0 40 HGAB CCN(CC)S(=O)(=O)c1cc(Cl)ccc1OCC(=O)NCCc1ccccc1 22248510 VLVYJWXBLZXDBN-UHFFFAOYSA-N 424.950 3.108 0 40 HGAB Cc1ccc(C)c(CC(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)c1 22532176 WLBUIECAMNHATH-UHFFFAOYSA-N 410.499 3.384 0 40 HGAB O=C(CN1CCN(Cc2cccs2)CC1)NCc1ccccc1OC(F)(F)F 22849050 PEGXGDIWGOZEOO-UHFFFAOYSA-N 413.465 3.081 0 40 HGAB CCc1nc2sc([C@@H](c3ccc(C)cc3)N3CCC(C(=O)OC)CC3)c(O)n2n1 22853640 WLCZUHHYLKPPGS-QGZVFWFLSA-N 414.531 3.342 0 40 HGAB O=C(Cc1ccc(N2CCCC2=O)cc1)N1CCN(Cc2ccc(Cl)s2)CC1 23640582 QEWCWPHZJGQMCB-UHFFFAOYSA-N 417.962 3.415 0 40 HGAB CC(C)(C)OC(=O)NC1(CNC(=O)c2ccc(-n3cnnn3)cc2)CCCCCC1 24494809 SSJGOGCHSHFPMX-UHFFFAOYSA-N 414.510 3.010 0 40 HGAB COC(=O)C1=C(CN2CCc3sccc3C2)N(C2CC2)C(=O)N[C@@H]1c1ccccc1 24900086 LFNYEEFXDPEYFM-OAQYLSRUSA-N 423.538 3.462 0 40 HGAB Cc1cccc(OCC(=O)NC[C@@H](c2ccc(Cl)cc2)N2CCN(C)CC2)c1C 27793272 JQFSPRWYTLCTQD-NRFANRHFSA-N 415.965 3.441 0 40 HGAB COc1ccc(OC)c(Nc2nnc(SCc3ccccc3Cl)n(N)c2=O)c1 28535951 MPMMWVJDPYZGLG-UHFFFAOYSA-N 419.894 3.059 0 40 HGAB CN(CC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@H]1CCc2ccccc21 29482837 MDOBJFGXXDEHGR-NRFANRHFSA-N 413.543 3.029 0 40 HGAB O=C(NC[C@H](O)c1ccc(F)cc1)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1 31316474 POOJTVJJNHGGRW-NRFANRHFSA-N 418.424 3.085 0 40 HGAB O=C(Nc1nnc(CCc2ccccc2)s1)[C@@H]1CC(=O)N(Cc2ccc(F)cc2)C1 31816357 XLTCWMBJEFKRNT-QGZVFWFLSA-N 424.501 3.450 0 40 HGAB CN(CCOc1ccc(Cl)cc1)C(=O)CSCc1cc(=O)n2ccsc2n1 32909331 MOEXKMLSRSJSSO-UHFFFAOYSA-N 423.947 3.180 0 40 HGAB CC(C)Oc1ccc(C(=O)NC(=S)Nc2ccccc2N2CCN(C)CC2)cc1 33679832 YIZKNJYVKBUAAE-UHFFFAOYSA-N 412.559 3.352 0 40 HGAB COc1ccc(C)cc1S(=O)(=O)N1CCC(C(=O)NC2CCCCCC2)CC1 33860659 WDLVUXIRTNREEO-UHFFFAOYSA-N 408.564 3.243 0 40 HGAB Cc1cc(I)ccc1NS(=O)(=O)c1cc(C(=O)O)cs1 35038001 SSQNRBZNWLUMMQ-UHFFFAOYSA-N 423.253 3.160 0 40 HGAB COc1ccc(OC)c([C@H](C)NC(=O)c2cc(-c3cnn(C)c3)nc3onc(C)c23)c1 36618942 FYCQJTVIDFDQEC-LBPRGKRZSA-N 421.457 3.440 0 40 HGAB O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1cn(-c2ccccc2)nn1 40073497 SNJZFRUUZNIWMK-UHFFFAOYSA-N 417.391 3.375 0 40 HGAB C[C@@H]1CCCC[C@@H]1NC(=O)CN1C(=O)N[C@](C)(c2cccc(C(F)(F)F)c2)C1=O 40116769 GSJSJSWUMWTNQY-XFHNUULXSA-N 411.424 3.167 0 40 HGAB Cc1occc1C(=O)Nc1nc(CC(=O)NC[C@@H](C)N(C)c2ccccc2)cs1 40134452 AQXMDVDHJNICQA-CQSZACIVSA-N 412.515 3.480 0 40 HGAB COc1cc(CNC(=O)c2cc(-c3cccnc3)on2)ccc1OC[C@@H]1CCCO1 44525789 UHVUHHAOZSUJLU-KRWDZBQOSA-N 409.442 3.233 0 40 HGAB CN(c1cccc(NC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)c1)S(C)(=O)=O 44786964 WFNZXPNWJCXTHQ-KRWDZBQOSA-N 419.522 3.072 0 40 HGAB Cc1cc(N2CCN([C@@H](C)C(=O)N3c4ccccc4C[C@@H]3C)CC2)nc(C(C)C)n1 48236330 OZJWRVQGYYCTTL-OALUTQOASA-N 407.562 3.397 0 40 HGAB CCN1CCN(Cc2ccc(CNC(=O)[C@@H]3Cc4cc(Cl)ccc4O3)cc2)CC1 48332088 HSMPASCZKJJMEE-QFIPXVFZSA-N 413.949 3.097 0 40 HGAB O=C(Cn1cccc(-c2nc(-c3ccc(F)cc3)no2)c1=O)Nc1ccccc1F 49002397 DJTMNHYMWKXKBB-UHFFFAOYSA-N 408.364 3.482 0 40 HGAB CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCN(C[C@@H](O)c2cccs2)CC1 49031324 KVOAUGZROUUXGZ-QGZVFWFLSA-N 408.951 3.437 0 40 HGAB COCCn1c(SCC(=O)Nc2cc(C)ccc2OC)nc2ccsc2c1=O 57425840 UXIAFIJBBFXFIY-UHFFFAOYSA-N 419.528 3.152 0 40 HGAB Cc1ccc(Cl)cc1-n1ncc2c(=O)n(CC(=O)Nc3ccc(F)cc3)cnc21 57486469 OLTJYWLXABWPBU-UHFFFAOYSA-N 411.824 3.322 0 40 HGAB Cc1cc(N[C@H](C)C(=O)N2CCN(C(=O)c3ccco3)CC2)ccc1Br 57693046 HYNRPEYAVYRUJX-CQSZACIVSA-N 420.307 3.136 0 40 HGAB Cc1nc(C(=O)NCc2ccc(N3CCCCCC3)nc2)nn1-c1ccc(F)cc1 57995187 NKSIKOCYAIHULW-UHFFFAOYSA-N 408.481 3.420 0 40 HGAB COC(=O)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 58168016 ACIGVWYIECALCB-LBPRGKRZSA-N 417.259 3.227 0 40 HGAB COc1ccc2[nH]c(C(=O)N3CC[C@H](n4c(C)nc5cccnc54)C3)cc2c1OC 72366041 QWFUPDOLNNMELM-AWEZNQCLSA-N 405.458 3.325 0 40 HGAB COc1ccc(CC(=O)N2CCCC[C@H]2c2ccnc(Nc3cnccn3)n2)cc1 72377931 VNWUYGSCMYQTDA-IBGZPJMESA-N 404.474 3.315 0 40 HGAB Cc1ccc(NC(=O)CN2CC[C@H](N(CC(=O)Nc3ccc(C)cc3)C3CC3)C2)cc1 89634956 WYHCRPVQYVUBAV-QHCPKHFHSA-N 420.557 3.419 0 40 HGAB C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O 102085779 FEYUASDLODHQMK-JLDGMNQJSA-N 404.388 3.086 0 40 HGAB Cc1cccc(NC(=O)[C@@H](C)N(C)CC(=O)N2c3ccccc3NC(=O)C[C@H]2C)c1 108990337 VPBOISLQEAWGJQ-IAGOWNOFSA-N 408.502 3.018 0 40 HGAB O=C(COC(=O)c1cccnc1SCC(=O)N1CCCC1)c1ccc(Cl)cc1 215690035 SQRKIMCBEKSNBK-UHFFFAOYSA-N 418.902 3.489 0 40 HGAB CC(C)(C)C(=O)Nc1nnc(S(=O)(=O)NCCCc2ccc(Cl)cc2)s1 222549653 BBAAFYGQGWDDGR-UHFFFAOYSA-N 416.956 3.087 0 40 HGAB COC(=O)c1cn(C(=O)CN(c2cc(C)ccc2C)S(C)(=O)=O)c2ccccc12 222580693 MIESAXLAGCJZPZ-UHFFFAOYSA-N 414.483 3.151 0 40 HGAB CC(C)CSc1nnc(NC(=O)[C@H](C)N(c2ccccc2)S(C)(=O)=O)s1 223308097 LGBZYGLCSZIQOO-LBPRGKRZSA-N 414.578 3.079 0 40 HGAB O=C(NCCO)[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccccc1 223351537 DBZMILACMFNTHU-DEOSSOPVSA-N 402.494 3.108 0 40 HGAB CSc1ccc(S(=O)(=O)NCCOc2cc(C)cc(C)c2)cc1NC(C)=O 224112115 AKJUIAFEYRLQOC-UHFFFAOYSA-N 408.545 3.341 0 40 HGAB COc1ccc(-c2cnc(-c3ccccc3C(=O)N3CCC(C(N)=O)CC3)o2)cc1 224912021 YMGBCAMICOLKRE-UHFFFAOYSA-N 405.454 3.355 0 40 HGAB CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)cc1 225147640 ZVCCEWPBUKMGAD-UHFFFAOYSA-N 405.501 3.403 0 40 HGAB COc1cc(C)ccc1OCC(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(C)=O 257232811 GMNDPUGUHPQFKG-XKPYVIEYSA-N 400.519 3.163 0 40 HGAB CC(C)CC(=O)N1C[C@@H](c2cn(C(C)C)cn2)[C@@]2(CCN(Cc3ccncc3)C2=O)C1 306129269 HZCUCEYLVHKSJJ-GBXCKJPGSA-N 423.561 3.250 0 40 HGAB Cc1cc(C(=O)N2CCOc3c(nc(-c4ccccc4)nc3OCC3CC3)C2)no1 306139461 SXXBMQVAVHPGBT-UHFFFAOYSA-N 406.442 3.264 0 40 HGAB Cc1ccc(NC(=O)CNC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)cc1Cl 408555491 XFIBPJIRZLESSM-UHFFFAOYSA-N 413.783 3.361 0 40 HGAB COc1ccc(Cl)cc1NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1OC 408701487 YSOJSBBXOGRWTB-UHFFFAOYSA-N 424.906 3.394 0 40 HGAB Cc1ccc(CNC(=O)C(=O)Nc2ccccc2C(=O)NCc2cccc(C)c2)cc1 408709475 BCOHNVZNHGRNRW-UHFFFAOYSA-N 415.493 3.488 0 40 HGAB O=C(NC1=NCCS1)Nc1ccc2nc(N3C(=O)c4ccccc4C3=O)sc2c1 409129475 JXUGVRSHODSBJA-UHFFFAOYSA-N 423.479 3.321 0 40 HGAB Cc1ccccc1N1C[C@H](C(=O)OCC(=O)Nc2ccc(F)c(Cl)c2)CC1=O 409145423 ICRDTEPSZWNTSY-CYBMUJFWSA-N 404.825 3.322 0 40 HGAB CCOCCCNC(=O)COc1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)cc1 409375995 RVVCFQRDDYJKSZ-UHFFFAOYSA-N 420.531 3.026 0 40 HGAB CCn1c(SCC(=O)Nc2ccc(NC(C)=O)cc2)nnc1-c1ccccc1O 409411950 ODQVGKGYWGGVER-UHFFFAOYSA-N 411.487 3.360 0 40 HGAB CCn1cnc2c(Nc3ccc(CN4CCN(c5ccccn5)CC4)cc3)ncnc21 518365210 KJUZVJSUYKKRGR-UHFFFAOYSA-N 414.517 3.307 0 40 HGAB Cc1cnn([C@@H]2CCCc3ccccc32)c1NC(=O)c1cnc2nc(O)nc(O)c2c1 524419298 BDFHLPVSXWCRPS-QGZVFWFLSA-N 416.441 3.119 0 40 HGAB Cc1ccc(N2CCC(C(=O)N[C@@H]3CCCN(C(=O)c4ccccc4)C3)CC2)nc1 1116117027 ZIHGXFJYCOJJOJ-OAQYLSRUSA-N 406.530 3.027 0 40 HGAB CCCCn1cc(S(=O)(=O)N[C@@H](C)c2nc(Cc3ccccc3)no2)c(C)n1 1660724741 SBELEFLQANZLLN-HNNXBMFYSA-N 403.508 3.005 0 40 HGAB Cc1cccnc1CN1CCC2(CC1)CNC(=O)COc1ccccc1CCCCO2 2037985358 HEFDATDNFDYSCO-UHFFFAOYSA-N 423.557 3.273 0 40 HGAB COc1ccc(-n2c(SCC(=O)N3CCCCC3)nnc2-c2ccncc2)cc1 976435 KXQPTBHBRJWJQK-UHFFFAOYSA-N 409.515 3.443 0 40 HGAB CCCOc1ccc(/C=c2/sc3nc(-c4ccc(OC)c(OC)c4)nn3c2=O)cc1 2703472 IFCWTBVJNDMUSA-XDHOZWIPSA-N 423.494 3.172 0 40 HGAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1cccc(S(N)(=O)=O)c1 4325288 KILAJZKVFMQTOQ-UHFFFAOYSA-N 409.826 3.342 0 40 HGAB COc1cccc(-c2cc(C(F)(F)F)nc(S[C@@H]3CC(=O)[C@H]4OC[C@@H]3O4)n2)c1 4577730 BOIQZGSNLVRFNN-LZWOXQAQSA-N 412.389 3.346 0 40 HGAB COc1ccc(-n2nnnc2SCC(=O)Nc2ccc(C(F)(F)F)cc2)cc1 5030070 SEQUZDDYDKNFAC-UHFFFAOYSA-N 409.393 3.421 0 40 HGAB COc1ccccc1N1C[C@H](C(=O)OCC(=O)Nc2ccc(C)c(Cl)c2)CC1=O 5192357 QIPOYEPXLDKXCU-CQSZACIVSA-N 416.861 3.192 0 40 HGAB O=C(C[C@@H]1c2ccccc2CCN1S(=O)(=O)c1ccccc1)Nc1cccnc1 6244642 AOTGUQFEJGGYSO-OAQYLSRUSA-N 407.495 3.399 0 40 HGAB COc1cccc(CNC(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc2)c1 7155588 WHWALPAZGQIDQZ-IRXDYDNUSA-N 416.543 3.292 0 40 HGAB O=C(CN1CCc2ccccc21)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 7348254 QJTNDHZSSRCFJQ-UHFFFAOYSA-N 413.543 3.253 0 40 HGAB O=C(CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O)N[C@H]1CCSc2ccccc21 7988401 XLUVFOHOUKUQCW-MBSDFSHPSA-N 421.522 3.123 0 40 HGAB Cc1cc(-n2c(C)cc(C(=O)CSc3nnnn3Cc3cccs3)c2C)no1 8232463 RRHRRCOOLKZGNL-UHFFFAOYSA-N 414.516 3.462 0 40 HGAB COc1cc(OC)c(OC)cc1CNn1c(-c2ccccc2OC)n[nH]c1=S 8496563 ZLCQNXLZRVCUJT-UHFFFAOYSA-N 402.476 3.386 0 40 HGAB CSc1ccc(NC(=O)CCc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)cc1 9451128 VBNDMPYTFLTENS-UHFFFAOYSA-N 405.483 3.402 0 40 HGAB O=C(NCc1cccs1)C(=O)NC[C@H](c1cccc2ccccc12)N1CCCC1 10334016 FTJCINLBOKTOTD-OAQYLSRUSA-N 407.539 3.471 0 40 HGAB Cc1cc(NS(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)ccc1Br 12200230 DFAYCKJVHGWCKG-UHFFFAOYSA-N 423.288 3.212 0 40 HGAB CCc1cc(C(F)(F)F)n2nc([C@@H]3CCN(C(=O)C[C@H](C)n4ccnc4)C3)cc2n1 12221287 PQPLOBCSEIXAMN-UONOGXRCSA-N 420.439 3.474 0 40 HGAB O=C(Cc1ccccc1F)N1CCC([C@@H]2C[C@H](C(F)(F)F)n3ncnc3N2)CC1 12407810 CXIKZKDNWXRWLO-JKSUJKDBSA-N 411.403 3.186 0 40 HGAB CCCCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)NCc1ccccc1F 12743677 PCZUSUXQTKPFKD-HSZRJFAPSA-N 409.461 3.221 0 40 HGAB Cc1ccc(N2C[C@H](C(=O)N(C)CC(=O)Nc3c(C)cccc3C)CC2=O)cc1F 12919208 WOZGDNDBQMMNFM-QGZVFWFLSA-N 411.477 3.201 0 40 HGAB O=C(CCN1C(=O)COc2ccccc21)Nc1nc(-c2ccc3c(c2)CCO3)cs1 12926825 GBVNPNRUROCHRP-UHFFFAOYSA-N 421.478 3.499 0 40 HGAB CS(=O)(=O)N(CC(=O)N1CCCc2ccccc21)c1cccc(C(F)(F)F)c1 13672577 WMLQPUOOYTVTOE-UHFFFAOYSA-N 412.433 3.451 0 40 HGAB CNS(=O)(=O)c1ccc(C(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1 14936572 SLAQXDRKEICUSY-UHFFFAOYSA-N 415.540 3.224 0 40 HGAB CC(=O)c1ccccc1NC(=O)CNc1cccc(S(=O)(=O)N2CCCCC2)c1 15086963 KSGBADJWBUBVHB-UHFFFAOYSA-N 415.515 3.114 0 40 HGAB CCOc1ccc(CN(C)CC(=O)Nc2ccc3c(c2)OCCCO3)cc1OC 16372829 MWTWTBSFQNZXLF-UHFFFAOYSA-N 400.475 3.326 0 40 HGAB Cc1ccc(C(=O)NCCN(C)c2ccccc2)cc1S(=O)(=O)N1CCCCC1 16724255 IHAYWRUUNDLWAW-UHFFFAOYSA-N 415.559 3.036 0 40 HGAB COc1cc(C(=O)N2CCC[C@@H]([C@@H]3C[C@H](C(F)F)n4nc(C)cc4N3)C2)ccn1 19128298 LRLQCSJZAQMTFQ-OWCLPIDISA-N 405.449 3.138 0 40 HGAB Fc1ccc(Cn2nnnc2CN2CCC[C@H](c3[nH]ncc3-c3ccncc3)C2)cc1 19334914 ZGADMTSUXWMGCC-SFHVURJKSA-N 418.480 3.025 0 40 HGAB c1ccc([C@H](c2nnnn2Cc2cccs2)N2CCN(C3CCCC3)CC2)cc1 19369680 KOWCBGMLPKRVKM-OAQYLSRUSA-N 408.575 3.433 0 40 HGAB C[C@H]1CCCC[C@@H]1NC(=O)CN1CC2(CCOCC2)Oc2ccc(Cl)cc2C1=O 19496190 YIJLTFNTMUWTKW-YJBOKZPZSA-N 420.937 3.419 0 40 HGAB COc1ncccc1-c1cc(=O)[nH]c([C@H]2CCN(C(=O)Cc3cccc(Cl)c3)C2)n1 19594678 JFLRELXQOZUYJX-HNNXBMFYSA-N 424.888 3.053 0 40 HGAB O=C(CN1CCC(Oc2cnccn2)CC1)Nc1nc(-c2ccc(F)cc2)cs1 19659117 DMJWSOOQFQYUCO-UHFFFAOYSA-N 413.478 3.221 0 40 HGAB COc1ccc(CCC(=O)N2CCCC[C@@H]2c2ncc(C(=O)N(C)C)c(C)n2)cc1 19754237 DWQJANHEINPSGO-HXUWFJFHSA-N 410.518 3.182 0 40 HGAB COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NCCC(C)C)cc1C 20009054 DMLOXSFARSEIOW-HXUWFJFHSA-N 418.559 3.056 0 40 HGAB COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cc(F)ccc2C)cc1Cl 20013996 WHHSDWIIJXJBEL-UHFFFAOYSA-N 400.859 3.055 0 40 HGAB COc1cc(NC(=O)c2nnn(Cc3cccc(C(F)(F)F)c3)c2N)cc(OC)c1 20281711 IAKKTMJJPSOEBY-UHFFFAOYSA-N 421.379 3.197 0 40 HGAB CC(C)CNC(=O)COc1ccc(N(Cc2ccccc2Cl)S(C)(=O)=O)cc1 22232932 XICZXIHGJQTJFT-UHFFFAOYSA-N 424.950 3.457 0 40 HGAB CCOC(=O)c1ccc(NC(=O)CN(c2ccccc2C(C)C)S(C)(=O)=O)cc1 22381534 KUEUSDNUVYMREX-UHFFFAOYSA-N 418.515 3.391 0 40 HGAB CCc1nc2sc([C@H](c3ccc(F)c(F)c3)N3CCN(CC)CC3)c(O)n2n1 22578156 MLTNTIGSUWUKQK-INIZCTEOSA-N 407.490 3.064 0 40 HGAB Cc1cccc(C)c1OCCOC[C@@H](O)CN1CCN(c2ccccc2F)CC1 22608892 JOBUUTXPHMZCPL-FQEVSTJZSA-N 402.510 3.021 0 40 HGAB O[C@H](COCCOc1ccc(Cl)cc1)CN1CCN(c2ccccc2F)CC1 23224726 KFWDPBBIOWYIKR-SFHVURJKSA-N 408.901 3.058 0 40 HGAB CN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1 24609715 VPFUZAULTFODQJ-UHFFFAOYSA-N 404.507 3.026 0 40 HGAB COc1ccccc1NS(=O)(=O)c1ccc(O)c(NC(=O)Cc2ccsc2)c1 24926547 MJIQCILGVXXFPA-UHFFFAOYSA-N 418.496 3.444 0 40 HGAB C[C@@]12CCC(=O)N1[C@H](C(=O)NCc1ccc(CN3CCc4ccccc43)cc1)CS2 27589825 IVXDQXGTNBDNLT-XUZZJYLKSA-N 421.566 3.320 0 40 HGAB CCOC(=O)c1cc(NC(=O)c2ccccc2N(C)S(C)(=O)=O)ccc1Cl 30859616 UIBYKNBOIZWQGE-UHFFFAOYSA-N 410.879 3.165 0 40 HGAB COc1ccc(S(=O)(=O)NCCc2csc(-c3ccncc3)n2)cc1Cl 31773248 SSFQJSHVCJXMLX-UHFFFAOYSA-N 409.920 3.388 0 40 HGAB CN(CC(=O)N(C1CCCCC1)[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCCc2ccccc21 32512306 CKOCVRFKNNNDOY-IFMALSPDSA-N 418.603 3.344 0 40 HGAB Cc1ccc(N2C(SCCOc3ccccc3)=N[C@@H]3CS(=O)(=O)C[C@H]32)cc1 32640651 VRBIWHJVJRHGOH-RTBURBONSA-N 402.541 3.149 0 40 HGAB Cc1nn(CC(C)C)c(C)c1CC(=O)Nc1ccc(S(=O)(=O)N(C)C(C)C)cc1 32768580 YZWBLJVIWCFVHI-UHFFFAOYSA-N 420.579 3.366 0 40 HGAB O=C([C@@H]1CC(=O)N(c2cccc(Cl)c2)C1)N1CCC(c2nnc3ccccn23)CC1 32795846 VZUDNDJIBJVRPL-MRXNPFEDSA-N 423.904 3.142 0 40 HGAB COc1ccc(-c2nc(CS(=O)(=O)CC(=O)Nc3ccc(C)c(F)c3)co2)cc1 32796975 MDCHENPAPONMHY-UHFFFAOYSA-N 418.446 3.351 0 40 HGAB C[C@H]1CCc2c(sc3ncnc(SCC(=O)NCCCN4CCCC4=O)c23)C1 32911188 JHXSYPKHDRMALH-ZDUSSCGKSA-N 418.588 3.037 0 40 HGAB O=C(NCCSCc1ccsc1)C(=O)Nc1cccc(CN2CCCC2)c1 32937327 BQORNUUKMGZKJI-UHFFFAOYSA-N 403.573 3.332 0 40 HGAB CSc1nnc(C)n1NC(=S)NC(=O)c1cccc(OCc2ccccc2)c1 33664207 JIBJASFUPBERGF-UHFFFAOYSA-N 413.528 3.146 0 40 HGAB Cc1ccc(-c2cnc(NC(=O)C[C@H]3NC(=O)N(C4CCCCC4)C3=O)n2C)cc1C 36752183 NBPWOGROARZPNN-GOSISDBHSA-N 423.517 3.286 0 40 HGAB O=C1C[C@H](C(=O)N2CCC[C@@H]2c2nnc3ccccn23)CN1c1cccc(Cl)c1 40069354 OKTLONZVMRUKMR-WMLDXEAASA-N 409.877 3.099 0 40 HGAB Cc1ccc(S(C)(=O)=O)cc1NC(=O)CCNC(=O)c1ccc2ccccc2c1 40069663 UDEMWSUWMUEEAK-UHFFFAOYSA-N 410.495 3.310 0 40 HGAB Cn1cc(-c2nc(C(=O)Nc3ccccc3C(=O)NCc3ccco3)cs2)cn1 40144147 WWSUWULWCIDNNS-UHFFFAOYSA-N 407.455 3.319 0 40 HGAB Cc1nc(Cc2ccc(F)cc2)sc1C(=O)N[C@@H]1CCCN(c2ncccn2)C1 40145640 HGKXRKRWFVJINJ-QGZVFWFLSA-N 411.506 3.370 0 40 HGAB O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)C1(c2ccccc2)CCOCC1 41749687 PUHYBCLAPXUQMX-UHFFFAOYSA-N 414.527 3.158 0 40 HGAB COc1ccccc1CN(C)C(=O)CN(c1cc(Cl)ccc1C)S(C)(=O)=O 44900935 YAEAVHJSJCAOMM-UHFFFAOYSA-N 410.923 3.082 0 40 HGAB COc1ccc(C(=O)N2CCC(C(=O)OCC(=O)c3ccc[nH]3)CC2)c2ccccc12 49600827 KOYNPPGFPGICJY-UHFFFAOYSA-N 420.465 3.455 0 40 HGAB O=C(NCCc1ccc(-n2cccn2)cc1)N[C@H](C(=O)N1CCCC1)c1ccccc1 56828763 PKOFYYGZYJNTBH-QFIPXVFZSA-N 417.513 3.078 0 40 HGAB COc1ccc2c(c1)c(C(=O)CN1CCC(C(N)=O)CC1)c(C)n2Cc1ccccc1 57063799 WYRSGNATQCDGKN-UHFFFAOYSA-N 419.525 3.387 0 40 HGAB COCCCNC(=O)CSc1nc2ccsc2c(=O)n1-c1ccc(Cl)cc1 57488033 FGMFJNPSYHBNKW-UHFFFAOYSA-N 423.947 3.345 0 40 HGAB CCN(CC)S(=O)(=O)c1cc(NC(=O)Cc2cn3cccc(C)c3n2)ccc1C 58171415 CCTIJFIHZRUIDU-UHFFFAOYSA-N 414.531 3.163 0 40 HGAB COC(=O)c1cc(OCC(=O)Nc2ccccc2C)c2cc(OC)c(OC)cc2n1 65033462 ODYBACKWCVIJMF-UHFFFAOYSA-N 410.426 3.365 0 40 HGAB CCc1ccc(NS(=O)(=O)c2n[nH]c(C)c2C(=O)NCc2ccc(C)cc2)cc1 67244902 RYPQGGOVAFDTNV-UHFFFAOYSA-N 412.515 3.320 0 40 HGAB Cc1ccc(F)cc1-n1ccn(CC(=O)Nc2ccccc2C(F)(F)F)c(=O)c1=O 67320223 WEPZHZUHXATYEG-UHFFFAOYSA-N 421.350 3.104 0 40 HGAB Cc1ccc(F)cc1NC(=O)c1nnn(CC(=O)NCc2ccccc2Cl)c1C 71327094 CURQNZHEYIIJQK-UHFFFAOYSA-N 415.856 3.256 0 40 HGAB O=S(=O)(c1cn[nH]c1)N1CCC[C@@H](c2cncc(-c3cccc(Cl)c3)n2)C1 72359862 NXLHXMHNZXFWLT-CQSZACIVSA-N 403.895 3.088 0 40 HGAB CON(C)S(=O)(=O)c1ccc(C(=O)OC2(CCOc3ccccc3)CC2)cc1 79017952 WLXBXTYCTAPJCR-UHFFFAOYSA-N 405.472 3.027 0 40 HGAB Cc1cccn2cc(COc3ccccc3C(=O)N3CC[S@](=O)C(C)(C)C3)nc12 79071730 WXJBPDJAMSAQAN-GDLZYMKVSA-N 411.527 3.205 0 40 HGAB C[C@H](C(=O)Nc1ccc(OC(F)F)c(Cc2ccccc2)c1)N1CCN(C)CC1 84037370 WBZIJVNIWMSGIN-MRXNPFEDSA-N 403.473 3.453 0 40 HGAB O=C(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC2(CC1)OCCO2 84335403 GZSLKVNSUHJHOC-UHFFFAOYSA-N 413.314 3.469 0 40 HGAB COc1ccc([C@H](C)NC(=O)c2ccc(-n3cncn3)cc2)cc1Cn1cccn1 84647848 BHAHBUXAIGEMJO-INIZCTEOSA-N 402.458 3.012 0 40 HGAB Cc1ccc([C@H](CNS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)N(C)C)cc1 95431116 NEJYIXPEJSZHDY-NSHDSACASA-N 408.392 3.272 0 40 HGAB CCOc1cc(C(=O)NC[C@@H](O)Cc2ccc(F)cc2F)cc(OCC)c1OCC 95940352 JYXQLHZZMFWTJD-KRWDZBQOSA-N 423.456 3.494 0 40 HGAB COc1cc2c(cc1OC)CC(=O)N(CC(=O)c1ccc(NC(=O)C3CC3)cc1)C=C2 96115872 WHTJCPUOIJYZEE-UHFFFAOYSA-N 420.465 3.291 0 40 HGAB biogenic CC(C)Nc1nc(N2CCCC2)nc2c1CN(C(=O)c1cccc(N(C)C)c1)CC2 96254253 QGVSGYKPBQFUFS-UHFFFAOYSA-N 408.550 3.162 0 40 HGAB O=C(NCCN1C(=O)S/C(=C/c2ccc(OC(F)F)cc2)C1=O)c1ccncc1 96594303 DSOGMCDYMUNEKD-RVDMUPIBSA-N 419.409 3.149 0 40 HGAB CC(C)n1nccc1NC(=O)[C@@H](C)N1CCN(CCOc2ccc(Cl)cc2)CC1 96833079 OGFYQBICYXFNEW-QGZVFWFLSA-N 419.957 3.141 0 40 HGAB Cc1ccc(N2C(=O)C[C@@H](c3c(C)nn(-c4nc5ccccc5[nH]4)c3O)C2=O)cc1 100069048 WBPUVJIFJJKNAV-HNNXBMFYSA-N 401.426 3.118 0 40 HGAB Cc1ccc2oc(CN3[C@H]4CC[C@H]3CC(O)(Cn3nc(C)ccc3=O)C4)c(C)c2c1 100737907 NOOQDPMXPSKMSE-OALUTQOASA-N 407.514 3.473 0 40 HGAB CCc1ccccc1O[C@H](C)C(=O)NCc1nc(-c2ccc(OC)cc2OC)no1 219296527 YEXJTNJKUUIDJJ-CQSZACIVSA-N 411.458 3.400 0 40 HGAB O=C(CCCN1C(=O)c2ccccc2S1(=O)=O)Nc1cccc(C(F)(F)F)c1 219429912 BXEJJLARMXZYCD-UHFFFAOYSA-N 412.389 3.269 0 40 HGAB C[C@@H](C(=O)NCCSC1CCCCC1)N(c1ccccc1F)S(C)(=O)=O 220302860 BPQVPIBUMCAFBD-AWEZNQCLSA-N 402.557 3.162 0 40 HGAB CC(=O)Nc1nnc(S(=O)(=O)Nc2ccccc2Sc2ccccc2)s1 222693429 DFWDOWSIYQDLCM-UHFFFAOYSA-N 406.514 3.449 0 40 HGAB CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(OC)cc1 223726959 YJLJWDLMEITJFG-OAHLLOKOSA-N 404.894 3.281 0 40 HGAB CC(C)[C@@H](C)NC(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(C)(=O)=O 225193568 FEGAELDXQLQMNI-SNVBAGLBSA-N 400.850 3.286 0 40 HGAB O=C(c1c[nH]nc1[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1)N1CCCCCC1 257340027 ZEEVEFVBRITJGW-GOSISDBHSA-N 420.510 3.091 0 40 HGAB COc1ccc(NC(=O)[C@@]23C[C@H]2CN(c2ccc(C)cc2)S3(=O)=O)cc1Cl 260834601 NFQMPTHSPXYXMK-ORAYPTAESA-N 406.891 3.204 0 40 HGAB COc1ccc(CN2CCN(c3nccn4c(-c5ccncc5)cnc34)CC2)cc1 306123613 ARYAHIBPBUDFRP-UHFFFAOYSA-N 400.486 3.122 0 40 HGAB COc1ncccc1CN1CCN(C)[C@@H](c2ncn3cc(-c4cccnc4)ccc23)C1 306131434 KECXWYFOULRAJJ-JOCHJYFZSA-N 414.513 3.289 0 40 HGAB CC(C)CN1CCC2(CCCN(C(=O)c3ccccc3)[C@H]2CNC(=O)N(C)C)CC1 306141131 VLYIMKJVVGNCSU-NRFANRHFSA-N 414.594 3.301 0 40 HGAB CC(=O)Nc1ccc(NS(=O)(=O)c2ccc(NC(=O)N3CCCCC3)cc2)cc1 408562299 OSKXLXZHRAAQNH-UHFFFAOYSA-N 416.503 3.464 0 40 HGAB COc1ccc(Cl)cc1N1C[C@@H](C(=O)OCC(=O)Nc2ccc(F)cc2)CC1=O 408647009 RUKVKFMDKLJYMW-LBPRGKRZSA-N 420.824 3.023 0 40 HGAB COc1cccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3C)C2)c1 408652737 CRRPDZMFCAQKCS-CQSZACIVSA-N 416.861 3.192 0 40 HGAB Cc1cc(Br)c(NC(=O)[C@@H]2C[C@H](O)CN2C(=O)OCC(C)C)cc1C 408997806 ILOAAOPTGLFSEV-BBRMVZONSA-N 413.312 3.232 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccc(C)cc3)C2)cc1C 409377929 KQYLZFGAIBLYJL-IBGZPJMESA-N 416.543 3.029 0 40 HGAB COc1ccc(C(=O)N2C[C@@H]3Oc4ccc(C(F)(F)F)cc4C(=O)N(C)[C@@H]3C2)cc1 514288617 HGHATMVRRWZLSQ-AEFFLSMTSA-N 420.387 3.072 0 40 HGAB biogenic,in-vitro Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)NCc1cccc(C(=O)NC2CC2)c1 537572773 FQFGQXRKHDVXJH-GFCCVEGCSA-N 422.451 3.374 0 40 HGAB COC(=O)c1cc2n(n1)CCC[C@H]2NC(=O)c1ccc(-c2csc(C)n2)s1 1180100571 YCDSXCRVLIBAQH-LLVKDONJSA-N 402.501 3.428 0 40 HGAB Cc1nnc(N2CCN(c3ncc(Br)cc3C(F)(F)F)CC2)s1 1559283844 BKDBQHBJPNMQKQ-UHFFFAOYSA-N 408.247 3.349 0 40 HGAB C=CC(=O)Nc1ccc(C(=O)N2CCC[C@@H]2c2ncc(Br)cn2)cc1 1638960000 NRZWPUIGZMMQLQ-OAHLLOKOSA-N 401.264 3.341 0 40 HGAB CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nnc(C3CC3)s2)cc1 2653175 CIEOMRBRQJHLSW-UHFFFAOYSA-N 414.512 3.493 0 40 HGAB CCCOc1ccc(-c2nc3s/c(=C\c4cccc(OC(C)=O)c4)c(=O)n3n2)cc1 2700971 UAMVZJLHDCARDS-UYRXBGFRSA-N 421.478 3.080 0 40 HGAB Cc1ccc(NC(=O)NC(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)c(C)c1 3467545 JFJHPQCWWXSXHD-UHFFFAOYSA-N 401.772 3.486 0 40 HGAB COc1cc(/C=C2\SC(=N)NC2=O)cc(Cl)c1OS(=O)(=O)c1ccccc1 3858676 ZRYIJXOVWIMVEL-ZROIWOOFSA-N 424.887 3.255 0 40 HGAB O=c1cccc2n1C[C@@H]1C[C@H]2CN(C(=S)Nc2cccc(Br)c2)C1 4135124 LYYZVNZSUONOEC-OLZOCXBDSA-N 404.333 3.427 0 40 HGAB COCCCn1c(SCC(=O)Nc2cccc(OC)c2)nc2ccccc2c1=O 4160943 VEVJAIVRPYISEL-UHFFFAOYSA-N 413.499 3.172 0 40 HGAB COc1ccc([C@H]2NC(=O)N[C@](O)(C(F)(F)F)[C@@H]2C(=O)c2ccc(C)cc2)cc1 4833749 LECMBOBJABEQBY-FRQCXROJSA-N 408.376 3.108 0 40 HGAB CN(Cc1ccccc1)C(=O)C(=O)c1cn(CC(=O)N2CCCC2)c2ccccc12 5087042 KYQKWIWOQXNAJE-UHFFFAOYSA-N 403.482 3.105 0 40 HGAB COc1cccc(N2C[C@H](NC(=O)Nc3ccc(Br)cc3)CC2=O)c1 5189603 BQFHEEYUGAAOKN-CQSZACIVSA-N 404.264 3.385 0 40 HGAB CCOc1cc(/C=c2\sc3n(c2=O)CCN=3)ccc1OCc1ccccc1Cl 5553013 PTSQMMCLNCDKOP-UNOMPAQXSA-N 414.914 3.003 0 40 HGAB CCCCCNC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)cc1 6050946 UDNKTOYRMDJNLG-UHFFFAOYSA-N 408.495 3.336 0 40 HGAB C[C@H](OC(=O)/C=C/c1ccc2ccccc2n1)C(=O)NCc1ccc2c(c1)OCO2 6120868 GWJFWNJYGSWMGP-GDXASINISA-N 404.422 3.225 0 40 HGAB CCCCc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(C(C)=O)cc2)cc1 6543239 CFIBGPLDMSLWRX-UHFFFAOYSA-N 402.516 3.491 0 40 HGAB Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)N2CCCc3ccccc32)s1 6817952 RPZDDJBMOWBUNF-UHFFFAOYSA-N 414.512 3.240 0 40 HGAB CCn1c(CCC(=O)NC2CCCCCC2)nc2cc(S(=O)(=O)N(C)C)ccc21 6908081 UNWWAJTVEQLODZ-UHFFFAOYSA-N 420.579 3.078 0 40 HGAB COc1ccc(Cl)cc1NC(=O)COC(=O)[C@H]1CC(=O)N(c2ccccc2C)C1 8039616 FACJTQDEDXUQQM-AWEZNQCLSA-N 416.861 3.192 0 40 HGAB Cc1cc(/C=C/C(=O)N(C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)c(C)n1C1CC1 8272123 WQDITXAFTAWELE-CUXKMMBLSA-N 401.532 3.320 0 40 HGAB C#CCOc1c(CC=C)cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc1OCC 8477306 HTMKARRGJKUGBE-XMHGGMMESA-N 422.481 3.230 0 40 HGAB C[C@H]1Sc2ccc(C(=O)OCC(=O)NCc3ccc(Cl)cc3)cc2NC1=O 8716523 TYYNYVNKSFYHRK-LLVKDONJSA-N 404.875 3.246 0 40 HGAB C[C@@H](NC(=O)C1CCN(C(=O)Nc2ccccc2)CC1)c1ccc(-n2cncn2)cc1 9336869 OVZJCKDUHOMKQW-QGZVFWFLSA-N 418.501 3.389 0 40 HGAB O=C(CN1C(=O)[C@@H]2CCCN2C(=O)c2ccccc21)Nc1cccc(C(F)(F)F)c1 9418587 WZLPVGPIEOTVNU-KRWDZBQOSA-N 417.387 3.295 0 40 HGAB O=S(=O)(NCCc1csc2nc(-c3ccccc3F)nn12)c1ccccc1F 9569573 KQHMGPPGHCDTRX-UHFFFAOYSA-N 420.466 3.257 0 40 HGAB O=C(N1CCC(NS(=O)(=O)c2ccccc2)CC1)C12CC3CC(CC(C3)C1)C2 11164737 PGJBIPVUZMJKIU-UHFFFAOYSA-N 402.560 3.172 0 40 HGAB Cn1c(=O)n(CCC(=O)Nc2ccc(N3CCCC3=O)c(Cl)c2)c2ccccc21 11256461 IRPIQSVLXJHIOD-UHFFFAOYSA-N 412.877 3.149 0 40 HGAB CCN(CC)S(=O)(=O)c1cc(C(=O)OCCOc2ccc(F)cc2)ccc1F 11462941 FWCHPNZTIOLKCH-UHFFFAOYSA-N 413.442 3.231 0 40 HGAB CCOCC(=O)Nc1cc(-c2cccs2)nn1-c1nc(-c2ccccc2)cc(=O)[nH]1 11855230 BVSHLIIMGYWNDJ-UHFFFAOYSA-N 421.482 3.326 0 40 HGAB COc1cc2cc(N)c(C3CCN(C(=O)CCn4ccnc4C)CC3)nc2cc1OC 12087971 LSFSXSNXAMEPPN-UHFFFAOYSA-N 423.517 3.135 0 40 HGAB COc1ccccc1-c1ocnc1C(=O)N1CCC[C@H]1c1cc2nc(C)cc(O)n2n1 12154084 VMDTZIFSFHXLCO-INIZCTEOSA-N 419.441 3.384 0 40 HGAB COc1ccc(CN2CCC(O)(c3ccccc3F)CC2)cc1CN1CCOCC1 12240417 NAMPEJURBLGBAX-UHFFFAOYSA-N 414.521 3.150 0 40 HGAB COc1ccc(C(=O)NCc2ccccc2CN2CCOCC2)cc1Br 12747654 CURLAYGYYQNOSX-UHFFFAOYSA-N 419.319 3.220 0 40 HGAB CCOc1ccc(C(=O)NCc2ccccc2S(=O)(=O)N2CCCCC2)cc1 12748029 BVCOIYZPDSSXKW-UHFFFAOYSA-N 402.516 3.190 0 40 HGAB C[C@H](OC(=O)[C@]12CCC(=O)N1c1ccccc1S2)C(=O)Nc1ccc(F)cc1 12748794 VLSLJXKCSXGJIE-FKIZINRSSA-N 400.431 3.325 0 40 HGAB C[C@@H](NC(=O)CCNS(=O)(=O)c1ccc(Cl)cc1)c1ccc(F)c(F)c1 12764315 NXAYORGKQSJLNL-LLVKDONJSA-N 402.850 3.164 0 40 HGAB C[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1)c1ccc(F)c(F)c1 12774962 UHNLRGYGDODOMM-JTQLQIEISA-N 402.850 3.360 0 40 HGAB CN(CC(=O)N(C)Cc1ccc(Br)cc1)Cc1ccc2c(c1)OCCO2 12782643 DPCBUEAUWPKQAF-UHFFFAOYSA-N 419.319 3.311 0 40 HGAB COc1cc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)cc(OC)c1OC 12882447 RMXZXSIHCMUVAK-GFCCVEGCSA-N 404.850 3.357 0 40 HGAB COc1cc2c(cc1OC)CN(C(=O)Cc1c(C)c3ccc(O)c(C)c3oc1=O)CC2 12898750 SZUPVXZXHNCKQV-UHFFFAOYSA-N 423.465 3.260 0 40 HGAB biogenic Nc1nc(N2CCCCC2)nc2c1[C@H](C(=O)Nc1ccc(Cl)cc1)CC(O)=N2 13637518 AZIDRVNTPDKCQN-CYBMUJFWSA-N 400.870 3.417 0 40 HGAB COc1ccc(OC[C@@H](C)NS(=O)(=O)c2ccc(Br)s2)cc1 13670523 HVVYJUJUHNCZNP-SNVBAGLBSA-N 406.323 3.265 0 40 HGAB O=C(Cn1c(=O)n(Cc2ccc(F)cc2)c(=O)c2ccccc21)Nc1cccc(F)c1 13992375 ZLNHDIDWLXANNE-UHFFFAOYSA-N 421.403 3.128 0 40 HGAB COc1cccc([C@H](CNC(=O)c2ccc3c(c2)NC(=O)CS3)N2CCCC2)c1 14232622 YWZYPQDOSFHQEF-IBGZPJMESA-N 411.527 3.306 0 40 HGAB C[C@H]1CCCC[C@@H]1NC(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 14799988 LFSPNHUTZUXZIQ-GUYCJALGSA-N 400.491 3.060 0 40 HGAB CC(=O)Nc1ccc(S(=O)(=O)NCc2ccc(CN3CCCCC3)cc2)cc1 15357103 XCGAQJJHJMNPDR-UHFFFAOYSA-N 401.532 3.109 0 40 HGAB O=C(Cc1csc(N2CCCC2=O)n1)Nc1ccnn1Cc1ccc(Cl)cc1 15641674 TYEPKXTUCIAHIN-UHFFFAOYSA-N 415.906 3.349 0 40 HGAB CC(C)Oc1ccccc1NC(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1Cl 15858277 DDZVSRZNAYYVSF-UHFFFAOYSA-N 422.890 3.446 0 40 HGAB CCOC(=O)c1nnc2c3c(-c4ccccc4)c(-c4ccccc4)nnc3nn2c1O 16683051 CGAXROMDEVMMGM-UHFFFAOYSA-N 412.409 3.284 0 40 HGAB O=C(CCc1nc(-c2ccccn2)no1)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 19375776 CEXISNLJTUWASH-HNNXBMFYSA-N 402.458 3.347 0 40 HGAB CCNC(=O)[C@]1(Cc2ccccc2-c2cncnc2)CCCN(C(=O)[C@@H]2C[C@@H]2C)C1 19528417 ZVWXITKBPUOMQV-UQJUWTFNSA-N 406.530 3.087 0 40 HGAB COc1ccccc1CN(C)C(=O)CN(c1ccc(C)c(Cl)c1)S(C)(=O)=O 20041369 RTIYTLFWUMWMTE-UHFFFAOYSA-N 410.923 3.082 0 40 HGAB Cc1cccc(CCCNC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)c1 20112637 ABIWOUCNBGOJOY-GOSISDBHSA-N 406.573 3.206 0 40 HGAB C[C@@H](O)CNc1ncnc2c1sc1nc(N3CCCC3)c3c(c12)CC(C)(C)OC3 20392499 RDLZRRXYPQREJX-GFCCVEGCSA-N 413.547 3.484 0 40 HGAB Cc1c(C)c2ccc(OCC(=O)N3CCN(Cc4ccccc4)CC3)cc2oc1=O 21539677 LUCSJALGPGXDFH-UHFFFAOYSA-N 406.482 3.133 0 40 HGAB CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N(CC)CC)cc1C 22247337 FGJCFLOBQVKJJO-FQEVSTJZSA-N 418.559 3.152 0 40 HGAB O=C(CN1CCN(Cc2nc3ccccc3s2)CC1)N1CCCc2ccccc21 22804394 XWBMFBFXNIOWQI-UHFFFAOYSA-N 406.555 3.393 0 40 HGAB O=C(/C=C/c1ccc2c(c1)OCO2)N1CCN(CCOc2ccc(Cl)cc2)CC1 24498381 ZKORACUKNWRHBX-KRXBUXKQSA-N 414.889 3.305 0 40 HGAB O=C(Nc1cc2c(cc1Br)OCCO2)c1ccc(-n2cncn2)cc1 27226274 IVMKDIKQRZFBIH-UHFFFAOYSA-N 401.220 3.053 0 40 HGAB O=c1nc(SCc2ccccc2Cl)c2c(n1[C@@H]1CCS(=O)(=O)C1)CCC2 27795609 QQQFVNRFIHGOMV-CYBMUJFWSA-N 410.948 3.037 0 40 HGAB Cc1nc(CN2CCN(C(=O)NCc3ccc(NC(=O)C(C)C)cc3)CC2)cs1 31030080 KHMLISSRQTYSGN-UHFFFAOYSA-N 415.563 3.073 0 40 HGAB O=C(CNC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)Nc1ccc(Cl)cc1Cl 32102256 SXITXCAXGGCELD-GFCCVEGCSA-N 406.269 3.101 0 40 HGAB C[C@H]1CCN(C(=O)COC(=O)CN(C)c2ccc(Cl)nn2)c2ccccc2S1 32913737 FPYIMUDLBNVHHF-ZDUSSCGKSA-N 420.922 3.027 0 40 HGAB Cc1cccc(NC(=O)CN2CCN(C(=O)c3c[nH]nc3-c3ccccc3)CC2)c1C 36386348 UAYMXTFOYWROJC-UHFFFAOYSA-N 417.513 3.090 0 40 HGAB CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)CN(CC(=O)O)C(=O)OC(C)(C)C 44699372 BGBLTXIOYFGHND-INIZCTEOSA-N 408.495 3.444 0 40 HGAB in-vitro CCCn1c(SCCn2nc3ccccn3c2=O)nc2cc(Cl)ccc2c1=O 69461096 DPTOYOHEOCWLNR-UHFFFAOYSA-N 415.906 3.062 0 40 HGAB CCOC(=O)c1nc(CN2CCCC[C@H]2CNC(=O)Nc2ccccc2)cs1 69488039 SMDVEMHLIHZJQM-KRWDZBQOSA-N 402.520 3.496 0 40 HGAB Cn1cc(C(=O)N2CCC[C@H]2c2nc(N)ncc2-c2ccc(C(F)(F)F)cc2)cn1 72354903 XTRLVJXGALFUGS-INIZCTEOSA-N 416.407 3.455 0 40 HGAB CC(=O)Nc1ccc(NC(=O)c2ccc(Cn3nnc4ccccc4c3=O)cc2)cc1 72404145 XUKWYFSVBOAYJX-UHFFFAOYSA-N 413.437 3.051 0 40 HGAB Cn1c(=O)c(CCC(=O)NCCc2c[nH]c3ccc(Cl)cc23)nc2ccccc21 72406363 YRAIPXZLZDPGGK-UHFFFAOYSA-N 408.889 3.360 0 40 HGAB COc1cc(NC(=O)[C@@H]2CCCN(c3ccc(-c4ccc(Cl)cc4)nn3)C2)ncn1 77200582 CMKNHGKUZYYSKE-OAHLLOKOSA-N 424.892 3.451 0 40 HGAB COc1ccc(Br)c(C(=O)N2CCN([C@H](C)c3cccnc3)CC2)c1 79353139 RATAZTKNPUTJDP-CQSZACIVSA-N 404.308 3.372 0 40 HGAB CC(C)(C)NC(=O)N1CCC(CNC(=O)C[C@@H](CC(=O)O)c2cccs2)CC1 90607336 DWDQAEBWWBCGNI-HNNXBMFYSA-N 409.552 3.033 0 40 HGAB CCOc1ccc(S(=O)(=O)NCCC(=O)Nc2cc(C)cc3cccnc23)cc1 95454162 GFEDABCOIPJHLO-UHFFFAOYSA-N 413.499 3.249 0 40 HGAB COC(=O)C[C@H](c1ccc(O)c(OC)c1)c1c(O)n[nH]c1Cc1ccc(OC)cc1 96115004 OJRHUIRROVTQQN-MRXNPFEDSA-N 412.442 3.124 0 40 HGAB biogenic Cc1nc(Cn2cnc(-c3cc(C(=O)N4CCN(C)CC4)c4ccccn34)c2)cs1 96154925 BSAIHLBXCAZXQA-UHFFFAOYSA-N 420.542 3.004 0 40 HGAB COc1cccc(C(=O)COC(=O)c2ccccc2N2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1 96610744 IWFUYMIHNZXSKU-HDICACEKSA-N 419.433 3.191 0 40 HGAB O=C(NC1CCN(c2cc(-c3ccc(F)cc3)n[nH]2)CC1)[C@@H]1COc2ccccc2O1 98212903 IRHIYRVCPTYODO-NRFANRHFSA-N 422.460 3.141 0 40 HGAB Cc1ccc(S(=O)(=O)Oc2ccccc2N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)cc1 100566983 MSLRWRSKBBTZPK-SLUIBLPYSA-N 411.479 3.298 0 40 HGAB COc1ccc(NC(=O)c2cccc(N3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4C3)c2)c(OC)c1 100812313 NUDBSGNUJYOHDN-FJAKRLOMSA-N 418.449 3.268 0 40 HGAB CCOCCn1/c(=N/C(=O)c2cccc(N3C(=O)CCC3=O)c2)sc2ccccc21 100873336 MNULYPXRINOMJE-FCQUAONHSA-N 423.494 3.134 0 40 HGAB O=C(COC(=O)c1ccccc1N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1ccc(F)cc1 102081168 TXPQXEINYGSLCV-VUEDXXQZSA-N 419.408 3.177 0 40 HGAB CCOC(=O)[C@]1(CN)[C@H](c2ccc(CC)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 218565334 FCGSADDHOIRCQG-RZUBCFFCSA-N 401.528 3.005 0 40 HGAB CN(CCNC(=O)CCCN(c1cccc(Cl)c1)S(C)(=O)=O)c1ccccc1 219632781 WQBWBIQNSGDPTH-UHFFFAOYSA-N 423.966 3.139 0 40 HGAB COc1ccc(C)cc1N(CC(=O)NCc1ccc2ccccc2c1)S(C)(=O)=O 222760961 UZYYWRLAUDSKJC-UHFFFAOYSA-N 412.511 3.239 0 40 HGAB CC[C@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)COc1ccccc1OC 222899857 MWQRJBAQEDJXRN-HXUWFJFHSA-N 412.530 3.449 0 40 HGAB CC(C)(Oc1nn(-c2ccccc2)cc1Br)C(=O)NC[C@@H]1CCCO1 227159326 FPVZGLUDXBOFTG-AWEZNQCLSA-N 408.296 3.087 0 40 HGAB O=C(NC[C@](O)(c1ccco1)c1cccs1)C(=O)Nc1ccccc1C(F)(F)F 238839343 HMJGZGFIPLDHRB-SFHVURJKSA-N 424.400 3.351 0 40 HGAB COc1ccc(CCS(=O)(=O)NC[C@@](O)(c2ccsc2)c2cccs2)cc1 240122682 WGWGRQYEXOISHC-LJQANCHMSA-N 423.581 3.216 0 40 HGAB CC(=O)O[C@H]1C[C@@H]2[C@H]([C@H](OC(C)=O)C[C@H]3CCCC[C@@]32C)[C@@]2(O)C(=O)CC[C@@]12C 254301951 OCASYMYIISJFFR-XGOHMKIKSA-N 406.519 3.186 0 40 HGAB CNC(=O)c1sc2nc([C@@H]3CCCN3C(=O)Cc3ccc(F)cc3)ccc2c1N 257301376 RYGCENTVUMDBBR-INIZCTEOSA-N 412.490 3.283 0 40 HGAB CNc1cc([C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2)nc(C2CC2)n1 257343038 ZRFGVPVQNXNKHL-OALUTQOASA-N 404.518 3.029 0 40 HGAB c1cncc(CN2C[C@@]3(CCN(Cc4ccc5c(c4)OCO5)C3)c3ncccc32)c1 306126889 FICHGSWVHOYGGL-DEOSSOPVSA-N 400.482 3.369 0 40 HGAB Cc1ccc([C@H]2[C@@H](NC(=O)c3cccc(C)c3)C(=O)N/[N+]2=C\c2ccc(F)cc2)cc1 409054426 JQDSPQFWAFFPEG-WSBKAMHLSA-O 416.476 3.459 0 40 HGAB CC(C)Oc1ccc(/C=C2/SC(=O)N(CC(=O)O)C2=O)cc1Br 409147607 VKBKMRCRYPLOSS-WUXMJOGZSA-N 400.250 3.357 0 40 HGAB CCOC(=O)Cn1cc(/C=C2/SC(=O)N(CCCOC)C2=O)c2ccccc21 409231394 CVFIXVLOALOMDL-GZTJUZNOSA-N 402.472 3.277 0 40 HGAB CC(C)c1oc([C@@H]2CCCN2C(=O)CCNS(C)(=O)=O)nc1-c1ccccc1 524819779 ONAHIQSTXJMZRA-INIZCTEOSA-N 405.520 3.068 0 40 HGAB Cc1cnc(Nc2nc(C3CCN(C(=O)[C@@H]4CCCCN4)CC3)cn3cccc23)s1 585263385 YDEDAXFKSFJXON-KRWDZBQOSA-N 424.574 3.691 0 40 HGAB Nc1ncc(-c2cc(C3[C@@H]4CN(C5COC5)C[C@@H]34)n(CC3CC3)n2)cc1C(F)(F)F 1535279367 IRPVABHDSJVBNZ-HUUCEWRRSA-N 419.451 3.000 0 40 HGAB O=C1CC2(CCN(Cc3ccc(-n4cccn4)cc3)CC2)Nc2ccccc2CN1 2037981187 YJELHOAYDFVNSV-UHFFFAOYSA-N 401.514 3.339 0 40 HGAB Cc1c(CN(C)C(=O)CCn2nc(C(F)(F)F)c(Br)c2C)cnn1C 655688 SOKSBCCNRJJYRM-UHFFFAOYSA-N 422.249 3.063 0 40 HGAB COc1ccc(C(=O)N2CCC(N3CCN(c4ccccc4)CC3)CC2)cc1OC 1457266 RJYUMDGHODAPDM-UHFFFAOYSA-N 409.530 3.131 0 40 HGAB COc1ccccc1NC(=O)c1ccc(NC(=O)COC(=O)c2ccc(O)cc2)cc1 3304382 IXNAUVYDHSUHEF-UHFFFAOYSA-N 420.421 3.449 0 40 HGAB COc1ccc(CNC(=O)COC(=O)CCC(=O)c2ccc(Cl)cc2)cc1OC 3402696 ICQCPJNXLQVFRN-UHFFFAOYSA-N 419.861 3.180 0 40 HGAB CS(=O)(=O)c1ccccc1-c1nnc(NC(=O)c2ccc3ncsc3c2)o1 4585649 BPRKJWIISIYGHR-UHFFFAOYSA-N 400.441 3.002 0 40 HGAB CC(C)(C)OC(=O)[C@@H]1C(=O)C[C@@](C)(O)[C@@H](C(=O)OC(C)(C)C)[C@H]1c1ccccc1 4671027 QVFPDSCSUILPAI-PMECCGAFSA-N 404.503 3.410 0 40 HGAB Cc1ccc(-c2nnc(SCC(=O)N3CCNC3=O)nc2-c2ccc(C)cc2)cc1 4766813 RBJMMKDPVOLHMK-UHFFFAOYSA-N 419.510 3.466 0 40 HGAB Cc1ccccc1NC(=O)Cn1c(=O)n(CCc2ccccc2)c(=O)c2ccccc21 4906628 XUSPKDCAIRGGCN-UHFFFAOYSA-N 413.477 3.353 0 40 HGAB Cc1noc(C)c1S(=O)(=O)Nc1ccc(-n2c(C)nc3ccccc3c2=O)cc1 5204363 XBTAKELRNRSYJC-UHFFFAOYSA-N 410.455 3.100 0 40 HGAB O=C(COC(=O)CN1CCCCCC1=O)Nc1ccc(Cl)c(C(F)(F)F)c1 5540462 FZFYBYALWQXJTF-UHFFFAOYSA-N 406.788 3.243 0 40 HGAB CCN(CC)S(=O)(=O)c1cc(NC(=O)CN2CCCc3ccccc32)ccc1C 5638216 RUFZRKJQGAVPEL-UHFFFAOYSA-N 415.559 3.417 0 40 HGAB Cc1nc2ccccc2n1CC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 6017588 ULZJPSBVVDOVOW-UHFFFAOYSA-N 412.515 3.158 0 40 HGAB COc1ccc(NC(=O)c2ccc(NC(=O)Cn3nnc4ccccc43)cc2)cc1 6580658 CFQJXGRWWGTFNF-UHFFFAOYSA-N 401.426 3.331 0 40 HGAB COc1ccc2nc(SCC(=O)N3CCc4cc(OC)c(OC)cc4C3)[nH]c2c1 6652890 OCTDICMZMVTIJS-UHFFFAOYSA-N 413.499 3.266 0 40 HGAB COc1ccc(C(=O)N(Cc2cccc(F)c2)[C@H]2CCS(=O)(=O)C2)cc1Cl 6811103 BMIQGMDQGZNTBK-INIZCTEOSA-N 411.882 3.317 0 40 HGAB CN(CC(=O)NCC(=O)Nc1ccc(F)c(F)c1)Cc1cccc(Cl)c1Cl 7292753 BQNOLYCCVPIVQO-UHFFFAOYSA-N 416.255 3.458 0 40 HGAB CC(C)(C)c1cc(CCC(=O)OCc2nc(N)nc(N)n2)cc(C(C)(C)C)c1O 7501352 SEKWYGRRLROUFH-UHFFFAOYSA-N 401.511 3.013 0 40 HGAB C[C@H]1CCc2ccccc2N1CC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 7619189 CUNLQXSAGCLKDQ-KRWDZBQOSA-N 413.543 3.251 0 40 HGAB O=C(CSc1nnc(Cc2cccs2)n1C1CC1)NC(=O)NC1CCCC1 7843591 AMOKSFFRRCMWHX-UHFFFAOYSA-N 405.549 3.126 0 40 HGAB O=C(C[C@@H]1OC(=O)c2ccccc21)Nc1ccc2nc(N3CCOCC3)sc2c1 8391496 VLTMXOBDUSOXPX-KRWDZBQOSA-N 409.467 3.373 0 40 HGAB CCCCCCn1c(=O)c2c(nc3n2CCCN3c2ccc(OC)cc2)n(C)c1=O 8625397 SHAQYQCSJLZCEV-UHFFFAOYSA-N 411.506 3.027 0 40 HGAB CN(c1cccc(Cl)c1)S(=O)(=O)c1cccc(C(=O)Nc2nncs2)c1 11054831 STILFRUYSSGJPG-UHFFFAOYSA-N 408.892 3.269 0 40 HGAB Cc1c(-c2ccccc2)sc2ncn(Cc3cc(=O)n4ccccc4n3)c(=O)c12 11539963 IRLRQLXVOOJWPQ-UHFFFAOYSA-N 400.463 3.490 0 40 HGAB COc1cccc(-c2c(Nc3ccccc3)oc3c2c(=O)n(C)c(=O)n3C)c1OC 11614582 GXHSYHZFKFOBGL-UHFFFAOYSA-N 407.426 3.258 0 40 HGAB O=C(O)[C@@H]1CC=CC[C@H]1C(=O)Nc1ccccc1S(=O)(=O)Nc1ccccc1 12548391 YCUKIVQMRMHCPU-HZPDHXFCSA-N 400.456 3.093 0 40 HGAB Cc1cc(NC(=O)COC(=O)CCc2nc3ccccc3n2-c2ccccc2)no1 12645384 VJIRTKRAVSYRRQ-UHFFFAOYSA-N 404.426 3.436 0 40 HGAB COC(=O)[C@H](c1ccccc1Cl)N1CCN(C(=O)c2cccc(OC)c2)CC1 12761278 GQZVLTWNTZVRCI-IBGZPJMESA-N 402.878 3.021 0 40 HGAB CC(C)Cn1c(S[C@@H](C)C(=O)Nc2ccccc2F)nnc1N1CCOCC1 12774173 NNDOQHYHACZZCK-AWEZNQCLSA-N 407.515 3.029 0 40 HGAB Cc1cccc(NS(=O)(=O)c2cc(C)n(S(=O)(=O)c3ccccc3)c2C)c1 13585889 VGINZSQDOJPWTQ-UHFFFAOYSA-N 404.513 3.451 0 40 HGAB CC(C)(C)NC(=O)c1ccccc1NC(=O)CCCN1C(=O)c2ccccc2C1=O 13686892 IEIWKQTWCKBMBR-UHFFFAOYSA-N 407.470 3.230 0 40 HGAB CCCCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N=C3Nc4ccccc4N32)cc1 13722618 LNNQHXBCIAQVQY-SFHVURJKSA-N 406.442 3.169 0 40 HGAB CC[C@]1(C)NC(=O)N(CC(=O)N(CCc2ccccc2)Cc2ccc(C)s2)C1=O 14067551 WONSYTPGAYFJPW-QFIPXVFZSA-N 413.543 3.348 0 40 HGAB COc1cccc(NC(=O)CN(C)C(=O)c2ccccc2NC(=O)c2ccco2)c1 14241207 MHLDSIIOEZFQGG-UHFFFAOYSA-N 407.426 3.251 0 40 HGAB Cn1c(=O)c2c(-c3ccc(Cl)cc3)n(Cc3ccc4c(c3)OCO4)cc2n(C)c1=O 15084172 KHJGSGYTRDWNRQ-UHFFFAOYSA-N 423.856 3.136 0 40 HGAB O=S(=O)(c1ccc(Cl)cc1)N1CCN(CCOc2ccc(Cl)cc2)CC1 16429068 WHBXDZMBDCQVOL-UHFFFAOYSA-N 415.342 3.379 0 40 HGAB CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NCCC3=CCCCC3)CC2)cc1 17334931 YFXRYGBGKVIULJ-UHFFFAOYSA-N 418.559 3.297 0 40 HGAB O=C(/C=C/c1cc(Cl)c2c(c1)OCCCO2)OCc1cc(=O)n2ccsc2n1 17945640 FVCGFJFMFTUWTR-NSCUHMNNSA-N 418.858 3.327 0 40 HGAB Cc1cc(-c2cnc3cc(C)nn3c2[C@@H]2CCCN(CC(=O)N3CCCCC3)C2)on1 19124134 PBEAILRRQULQKS-GOSISDBHSA-N 422.533 3.193 0 40 HGAB O=C(c1ccccc1F)N1CCc2c(nc([C@H]3CCN(C4CCCCC4)C3)[nH]c2=O)C1 19347678 QVCFFIRGGUVORS-INIZCTEOSA-N 424.520 3.230 0 40 HGAB O=C(Cn1c(C(F)(F)F)nc2ccccc21)Nc1ccc(Cn2cncn2)cc1 19376640 BJWFVPVLWMHZGW-UHFFFAOYSA-N 400.364 3.334 0 40 HGAB CC[C@H](C)C(=O)N1CCC[C@@H]1c1cc2nc3c(c(O)n2n1)CN(C1CCCC1)CC3 19499833 GBKUTRMBFMWRMB-MGPUTAFESA-N 411.550 3.445 0 40 HGAB CC[C@H](C)C(=O)N1CCC[C@H]1c1cc2nc3c(c(O)n2n1)CN(C1CCCC1)CC3 19499835 GBKUTRMBFMWRMB-YWZLYKJASA-N 411.550 3.445 0 40 HGAB Cc1cc(C(F)(F)F)c2c(=O)[nH]c([C@@H]3CCCN(C(=O)c4cnn(C)c4)C3)cc2n1 19568512 QYDDGWHTPKOUMV-GFCCVEGCSA-N 419.407 3.004 0 40 HGAB COc1ccccc1N1C[C@@H](NC(=O)C2(c3cc(C)cc(C)c3)CCOCC2)CC1=O 19569516 SDOJMTMIFPJGON-FQEVSTJZSA-N 422.525 3.282 0 40 HGAB Cc1n[nH]cc1C(=O)N1C[C@H](c2ccc(CN3CCOCC3)cc2)[C@H]2CCCC[C@H]21 19582436 CJNZNLRUVIRTFJ-YMPZKCBVSA-N 408.546 3.349 0 40 HGAB CCOc1ccc(CN2CCC(Cc3nc(C)ncc3C(=O)NC)CC2)cc1OC 19757259 USHMJKIDVNCCFV-UHFFFAOYSA-N 412.534 3.007 0 40 HGAB Cc1cccc(-n2c(S[C@@H](C)C(=O)NC[C@@H]3CCCO3)nc3ccccc3c2=O)c1 21451602 LUHGZGFTGZLWTK-WMZOPIPTSA-N 423.538 3.470 0 40 HGAB CS(=O)(=O)Nc1cccc(C(=O)OCc2nc(-c3ccc(Cl)cc3)no2)c1 21989447 UOFLTSFESJUVPE-UHFFFAOYSA-N 407.835 3.119 0 40 HGAB c1csc(-c2csc3nc(CN4CCOCC4)nc(N4CCOCC4)c23)c1 22341460 HWTBTTXIGMDYOX-UHFFFAOYSA-N 402.545 3.089 0 40 HGAB COC(=O)c1ccc(OC(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)c(OC)c1 23995645 WTGMMGOYFAFHPR-ZDUSSCGKSA-N 403.818 3.094 0 40 HGAB C[C@H](C(=O)NCc1ccccc1)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 24991559 HXWIFXQNUXACAT-QGZVFWFLSA-N 408.498 3.057 0 40 HGAB Cc1cccc(OCC(=O)Nc2nnc(S(=O)(=O)Cc3ccccc3)s2)c1C 27664694 UGJLVSBWRWIWLA-UHFFFAOYSA-N 417.512 3.146 0 40 HGAB CCOC(=O)[C@H]1CCCN(C(=O)c2cc(Br)c(OCC)c(OC)c2)C1 28700389 FQPLZCZDJFHRDE-LBPRGKRZSA-N 414.296 3.272 0 40 HGAB CC(=O)Nc1ccc(OC(=O)CCc2c(C)nc3nc(C(F)(F)F)nn3c2C)cc1 30937825 CQCJZOCXXNSGLP-UHFFFAOYSA-N 421.379 3.257 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2Cc1cccc(C(=O)OC)c1 31084337 OKIHLCAWTQTYJK-UHFFFAOYSA-N 402.516 3.066 0 40 HGAB CSCC[C@H](NC(=O)c1ccco1)C(=O)NC[C@@H](c1ccco1)N1CCCCC1 31553107 KRMZBVNPBVAZAI-IRXDYDNUSA-N 419.547 3.068 0 40 HGAB CC(=O)c1cccc(N2C(SCc3ccccc3F)=N[C@@H]3CS(=O)(=O)C[C@H]32)c1 32641163 UCMLZEAZFDYAFO-RTBURBONSA-N 418.515 3.303 0 40 HGAB COc1cc(OC)c(C2=CCN(Cc3cc(=O)n4cccc(C)c4n3)CC2)c(OC)c1 32860125 XESRZIBTHMULDL-UHFFFAOYSA-N 421.497 3.318 0 40 HGAB CCN1CCc2nc3ccccc3c(C(=O)NCCc3ccc4c(c3)OCCO4)c2C1 32999652 PQWXTUKWPSCOOP-UHFFFAOYSA-N 417.509 3.357 0 40 HGAB COc1ccccc1-c1nnc(C2CCN(S(=O)(=O)c3cccnc3)CC2)s1 35597014 YPMIESMFJQYCLU-UHFFFAOYSA-N 416.528 3.177 0 40 HGAB O=C(CCc1nnc(-c2ccccc2)o1)N1CCC[C@H]1c1nnc2n1CCCCC2 40080247 IIPUVNLHOAGEBG-KRWDZBQOSA-N 406.490 3.351 0 40 HGAB CSc1ccccc1C(=O)N1CCN(C(=O)[C@H]2C[C@H]2c2ccc3c(c2)OCO3)CC1 42382362 LHDKVFBFIFUNDA-ROUUACIJSA-N 424.522 3.225 0 40 HGAB CCOC(=O)c1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)cc1Cl 44884010 DPSBDICWVRMDIR-UHFFFAOYSA-N 424.906 3.084 0 40 HGAB Cc1ccc([C@H](C)NC(=O)[C@H]2CCN(S(C)(=O)=O)c3ccccc3O2)c(C)c1 44935108 AZACBHAGSHCEPH-OXJNMPFZSA-N 402.516 3.098 0 40 HGAB COc1ccccc1CNC(=O)CCc1nc(-c2ccc(C)n(C(C)C)c2=O)no1 46020615 BOEYFCPXUDQQPV-UHFFFAOYSA-N 410.474 3.045 0 40 HGAB O=C(/C=C/c1cc(Br)ccc1F)Nc1ccc(N2CCOCC2)cn1 47384365 PPMUWCGTOQPIKN-LZCJLJQNSA-N 406.255 3.472 0 40 HGAB CN(Cc1cnn(C)c1)C(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 47459624 QPAMTJKFTKHCCG-HNNXBMFYSA-N 409.317 3.238 0 40 HGAB CCc1ccc(NC(=O)Cn2nc3c(Oc4ccc(C)cc4)nccn3c2=O)cc1 49008268 ANWXRUXUYHRUKQ-UHFFFAOYSA-N 403.442 3.193 0 40 HGAB CCCNC(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1 54271597 QBCJRNPMCFOVKS-UHFFFAOYSA-N 411.321 3.171 0 40 HGAB CCN(CC)[C@@H](C(=O)N1CCC2(CC1)NC(=O)c1ccccc1O2)c1ccccc1 57796494 OBJFQSKMJMGILD-OAQYLSRUSA-N 407.514 3.211 0 40 HGAB CC1(C)CC[C@@H](NC(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)c2ccccc21 60205401 QHWSLVPPJDWHIY-CJFMBICVSA-N 417.509 3.309 0 40 HGAB COc1ccc(-c2cc3nn(CC(=O)Nc4ccc(Cl)cc4)c(=O)n3c(C)n2)cc1 65196746 NOJWJNITDPPFEJ-UHFFFAOYSA-N 423.860 3.167 0 40 HGAB CCN1CCC(NC(=O)NC[C@H]2CCN(c3cccc(Br)c3)C2)CC1 71186527 WNNKPUSZNGWBKQ-OAHLLOKOSA-N 409.372 3.059 0 40 HGAB Cc1nn(CCNC(=O)C[C@@H](C)n2nc(C)c(Br)c2C)c(C)c1Cl 71415976 JPPOICSXUGXTCC-SECBINFHSA-N 416.751 3.497 0 40 HGAB Cc1cc(-c2cnc(N3CCC[C@@](O)(c4nccn4C)CC3)nc2-c2ccco2)on1 72338441 NGSVFOCFXLYAOP-QFIPXVFZSA-N 420.473 3.312 0 40 HGAB Cc1ccc(C(=O)NCCNC(=O)[C@H](c2c(F)cccc2Cl)N(C)C)cc1F 78869351 MDYMDRAMVZVMOX-SFHVURJKSA-N 409.864 3.076 0 40 HGAB Cc1cccc(-c2nn(Cc3ccccc3)cc2CN2CCC[C@@H](S(N)(=O)=O)C2)c1 95940871 CCDSPODTESIAGT-JOCHJYFZSA-N 424.570 3.160 0 40 HGAB O=S(=O)(c1ccc(Cl)cc1)[C@@H]1CCN(S(=O)(=O)c2ccccc2Cl)C1 96371168 LBANZXNJLLMVRZ-CQSZACIVSA-N 420.339 3.230 0 40 HGAB Cc1nn(-c2nc3ccccc3o2)c(O)c1[C@@H]1CC(=O)N(c2cccc(F)c2)C1=O 100068955 ABFPQOUPMDOFAY-AWEZNQCLSA-N 406.373 3.214 0 40 HGAB O=C1C[C@H](N2CCN(Cc3ccc(Cl)cc3)CC2)C(=O)N1c1cccc(Cl)c1 100095810 WQNOPHPESMNOSW-IBGZPJMESA-N 418.324 3.443 0 40 HGAB COc1ccccc1CN(Cc1cccs1)C(=O)CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O 102845172 XJCYJQNEDXBCTI-OALUTQOASA-N 424.522 3.237 0 40 HGAB Cc1ccc(S(=O)(=O)CCC(=O)OCC(=O)N2C[C@]3(C)C[C@@H]2CC(C)(C)C3)cc1 103141740 YPBLTGRQNYJRRV-HTAPYJJXSA-N 421.559 3.129 0 40 HGAB CC[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)N(c1cc(C)cc(C)c1)S(C)(=O)=O 220569001 NDGLMKKMZDWGLE-SFHVURJKSA-N 418.515 3.258 0 40 HGAB CC[C@@H](C(=O)N[C@H](C)c1ccc(OC)cc1)N(c1ccc(OC)cc1)S(C)(=O)=O 220657165 LHTRCZWDMZEGGQ-QRWLVFNGSA-N 420.531 3.126 0 40 HGAB C[C@@H](NC(=O)CN(c1ccccc1F)S(C)(=O)=O)c1ccc2c(c1)CCCC2 222919581 DSJSZYAZRYZTLB-OAHLLOKOSA-N 404.507 3.348 0 40 HGAB Cc1ccccc1OCCNC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1 223461123 BBCWFRJQFFACPJ-UHFFFAOYSA-N 424.522 3.386 0 40 HGAB COc1ccc(S(=O)(=O)N(C)Cc2nc(-c3ccc(Cl)cc3)no2)cc1F 223774844 IVIUQNWMFFWGGZ-UHFFFAOYSA-N 411.842 3.358 0 40 HGAB CSc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(F)c(Cl)c2)cc1 223932161 GPGXUCBHKZEAAP-UHFFFAOYSA-N 402.900 3.460 0 40 HGAB CCOc1ccc(S(=O)(=O)N(CC(=O)O)c2ccccc2Br)cc1 224588374 KIGKJPXLWDZRFQ-UHFFFAOYSA-N 414.277 3.128 0 40 HGAB Cc1nn(-c2ccccn2)c(C)c1CCNS(=O)(=O)c1cccc(C(F)(F)F)c1 225583776 UUONATULCNOPRD-UHFFFAOYSA-N 424.448 3.424 0 40 HGAB COc1ccc(NC(=O)[C@@]23C[C@@H]2CN(c2ccccc2)S3(=O)=O)c2ccccc12 225938173 GSXIBFMYZBZCGK-IVZQSRNASA-N 408.479 3.396 0 40 HGAB CCOc1ccc(NC(=O)CN(C)CC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)cc1OCC 245237860 ZYMHZYHPCASTHA-ZHALLVOQSA-N 419.566 3.295 0 40 HGAB CC(=O)N[C@H]1CC[C@](CNC(=O)CCc2ccccc2)(c2ccccc2)CC[C@@H]1O 257261333 LGVDVMVFZYOIGK-LSQMVHIFSA-N 408.542 3.113 0 40 HGAB CN1CC2(CCN(Cc3ccc4c(c3)OCO4)CC2)c2nc(C(C)(C)C)ncc2C1=O 306127097 FOJFQTSSTLJOEB-UHFFFAOYSA-N 422.529 3.122 0 40 HGAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@H](C)c3ccccc3)C2)cc1 408558690 SNRMSPPFLSGHKI-IEBWSBKVSA-N 416.543 3.363 0 40 HGAB CCOc1ccc(/C=C2/NC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)c(OCC)c1 409022432 NSDJUKZXCNLPSX-XDHOZWIPSA-N 423.469 3.324 0 40 HGAB CCCN(CCC)C(=O)CN1C(=O)S/C(=C\c2ccc(C(=O)OC)cc2)C1=O 409210118 DUALNXOAZWCCFC-VBKFSLOCSA-N 404.488 3.158 0 40 HGAB O=C(c1cnc2c(c1)c(O)nc(=O)n2C1CC1)N1CCC[C@@H]1Cc1ccccc1Cl 516625812 WOTWOUCZOVRIGO-MRXNPFEDSA-N 424.888 3.333 0 40 HGAB Cc1cc(NC(=O)N[C@@H]2COc3ccc(F)cc3C2)ccc1-n1nnnc1C(C)C 580305313 XGBNHBYZGMBRTL-KRWDZBQOSA-N 410.453 3.358 0 40 HGAB C[C@@H]1CCCN(C[C@H]2CC3(CCN(S(=O)(=O)Cc4ccccc4)CC3)CO2)C1 585104254 OSIPRLPMLDMORB-TZIWHRDSSA-N 406.592 3.119 0 40 HGAB Cc1nc(Nc2nccs2)cc([C@@H]2CCN(C(=O)/C=C/c3c(C)nn(C)c3C)C2)n1 585292416 LVHJCQQVUKQNTQ-SQRWCISFSA-N 423.546 3.365 0 40 HGAB COc1ccc(-c2nc(NC(=O)[C@H]3CCCCN3Cc3ccccc3)n[nH]2)c(OC)c1 607284330 DHUDBLOVXKCUCY-LJQANCHMSA-N 421.501 3.482 0 40 HGAB CN1CCOc2ccccc2CCCCC2(CCN(C(=O)c3ccncn3)CC2)C1 643573671 HYIDFQRPKTYNLT-UHFFFAOYSA-N 408.546 3.436 0 40 HGAB COc1cc(C[C@H](C(=O)O)[C@H](C)C(=O)c2ccc3c(c2)OCO3)cc(OC)c1OC 1668743 OZTLVHLVDYEZNN-WFASDCNBSA-N 416.426 3.203 0 40 HGAB CCCN(CC1CC1)C(=O)CSc1nnc(Cc2cccc3ccccc23)n1N 3336255 CGWUOPJPUDMDNZ-UHFFFAOYSA-N 409.559 3.477 0 40 HGAB CSc1ccccc1C(=O)OCC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 3421114 HPIBWEHXDDBGLM-UHFFFAOYSA-N 411.483 3.002 0 40 HGAB CCCCn1c(SCc2ccc(C(=O)OC)o2)nc2cc(S(N)(=O)=O)ccc21 3480493 GTWSCLQFFKZSNB-UHFFFAOYSA-N 423.516 3.156 0 40 HGAB COC[C@@H](C)n1c(C)cc(C(=O)CN2C(=O)N[C@]3(CCCc4ccccc43)C2=O)c1C 4284962 PURAEWFJMDHDTD-GYCJOSAFSA-N 423.513 3.279 0 40 HGAB COc1ccc(OC)c(S(=O)(=O)N2CCn3cccc3[C@H]2c2ccc(F)cc2)c1 4853935 NGFQFCGJWHDPGP-OAQYLSRUSA-N 416.474 3.438 0 40 HGAB CCOC(=O)C1=C(CSc2nccn2C)NC(=O)N[C@H]1c1ccccc1Cl 4911423 NCRUXIPGMAIZLT-HNNXBMFYSA-N 406.895 3.037 0 40 HGAB CCOC(=O)C(=O)Nc1sc(C(=O)Nc2cc(C)ccc2C)c(C)c1C(=O)OC 5007052 JCXIGRPLUJFKRR-UHFFFAOYSA-N 418.471 3.214 0 40 HGAB COc1ccc(-n2nnnc2SCC(=O)Nc2ccccc2C(F)(F)F)cc1 5030127 UEMGVZJTQGIRKI-UHFFFAOYSA-N 409.393 3.421 0 40 HGAB CCOC(=O)c1nn(-c2ccccc2)c(=O)cc1OCC(=O)Nc1cc(C)ccc1C 5254968 BVNZUYKRFRBDND-UHFFFAOYSA-N 421.453 3.044 0 40 HGAB Cc1cccc(N2C[C@H](C(=O)OCC(=O)Nc3ccccc3Cl)CC2=O)c1C 5934165 XLHQAHXRWPRADI-OAHLLOKOSA-N 400.862 3.492 0 40 HGAB NS(=O)(=O)c1ccc(CNC(=O)CCCOc2ccc(Cl)cc2Cl)cc1 5944782 PRZAYEKGPZLSAF-UHFFFAOYSA-N 417.314 3.116 0 40 HGAB COc1ccccc1N(CC(=O)N1CCCC1)S(=O)(=O)c1ccc(Cl)cc1 6559214 XWUVIEVKQDDYTH-UHFFFAOYSA-N 408.907 3.166 0 40 HGAB CCCN1C(SCC(=O)Nc2cccc(OC)c2)=NS(=O)(=O)c2ccccc21 6918597 TUBFKDDRSUZBEI-UHFFFAOYSA-N 419.528 3.342 0 40 HGAB O=C(CN1CCC[C@H](c2nc3ccccc3s2)C1)NC[C@@H]1COc2ccccc2O1 7554138 TYNVYXYIZKGDFU-DLBZAZTESA-N 423.538 3.432 0 40 HGAB Cc1cc(NC(=O)CSc2nnc(-c3cccnc3)n2C)n(-c2ccccc2)n1 7813842 CWSPNLXUOMMFPB-UHFFFAOYSA-N 405.487 3.102 0 40 HGAB CN(CC(=O)NCC(=O)Nc1ccc(F)c(F)c1F)[C@@H]1CCCc2ccccc21 7988707 HCVGNTXMOZHHAD-QGZVFWFLSA-N 405.420 3.168 0 40 HGAB COc1cccc([C@]2(C)NC(=O)N(NC(=O)c3cc4c(s3)CCCCC4)C2=O)c1 8156805 UWXODRGZBUYWDG-NRFANRHFSA-N 413.499 3.138 0 40 HGAB COc1ccc(C(=O)N2CCCCCC2)cc1S(=O)(=O)NCc1ccccc1 8476230 BVHKAMUGPGQADT-UHFFFAOYSA-N 402.516 3.190 0 40 HGAB O=C(Nc1nnc(C2CCCCC2)o1)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 8927230 AYJUOKKWZYIDNU-INIZCTEOSA-N 422.482 3.048 0 40 HGAB Cc1nc2c(=O)n(CC(=O)NCCc3ccccc3)nc(-c3ccccc3)c2s1 8955025 BUCXHBHZSHQTDA-UHFFFAOYSA-N 404.495 3.187 0 40 HGAB CCN(CC)CCNC(=O)CN1C(=O)c2ccccc2[C@@H]1c1c(C)[nH]c2ccccc12 9581847 SOTDSVKJDVQGAG-XMMPIXPASA-N 418.541 3.480 0 40 HGAB Cc1cc2nc(Oc3ccc(S(=O)(=O)N4CCOCC4)cc3)c3ccccc3n2n1 9634700 CACZXBXVOFMOMS-UHFFFAOYSA-N 424.482 3.004 0 40 HGAB COc1ccc(-n2c(SCC(=O)NCc3ccco3)nnc2-c2ccncc2)cc1 9925249 HLNKGMJDNKEOFC-UHFFFAOYSA-N 421.482 3.339 0 40 HGAB COC(=O)c1cc(CNC(=O)c2cnc(SC)n2-c2ccccc2)ccc1OC 10053168 UDKVCSWQRXKIDN-UHFFFAOYSA-N 411.483 3.319 0 40 HGAB Cc1ccc(C(=O)CCC(=O)N2CCC[C@H](c3nn(C)c4nccnc34)C2)cc1C 12365148 KCCPPNMVIBSHDK-SFHVURJKSA-N 405.502 3.349 0 40 HGAB O=C(CN1C(=O)[C@H]2CCCC[C@H]2C1=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1 12536529 PMDANAIVQUMNGB-GASCZTMLSA-N 423.435 3.419 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3csc4c3CCCC4)CC2)c(C)c1 12986569 LFYHCDRGRWEPDG-UHFFFAOYSA-N 418.584 3.390 0 40 HGAB O=C(CN1CCN(C(=O)/C=C/c2ccc(Cl)cc2)CC1)Nc1cccc(F)c1 12995213 MDKYVJIPCXBZDP-RMKNXTFCSA-N 401.869 3.275 0 40 HGAB O=C(Nc1c(C(=O)N2CCOCC2)oc2ccccc12)c1ccc(-n2cccn2)cc1 12999461 XUKHMVIFMGFAQU-UHFFFAOYSA-N 416.437 3.343 0 40 HGAB COC(=O)c1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3ccc4cc[nH]c4c3)C2)cc1 13691253 SJZQBCYYEXVSCP-GOSISDBHSA-N 405.454 3.445 0 40 HGAB COc1cccc(CNC(=O)CSc2ccc(NC(=O)c3ccc(C)cc3)nn2)c1 13701720 PVWWPIMEXAEDRO-UHFFFAOYSA-N 422.510 3.454 0 40 HGAB Cn1nnnc1-c1cccc(NC(=O)c2ccc(CNC(=O)OC(C)(C)C)cc2)c1 14518790 GNTFJRORDGLTOS-UHFFFAOYSA-N 408.462 3.154 0 40 HGAB C[C@@H]1Sc2ccc(C(=O)Nc3cc(S(C)(=O)=O)ccc3Cl)cc2NC1=O 15911378 AUJLLXYYDZAZOT-VIFPVBQESA-N 410.904 3.429 0 40 HGAB CCOC(=O)c1c(C)[nH]c(C(=O)O[C@@H](C)C(=O)Nc2ccc(OC)c(OC)c2)c1C 16713905 GOMWXUSYNKGEPL-ZDUSSCGKSA-N 418.446 3.009 0 40 HGAB Cn1c(SCC(=O)Nc2ccccc2C(F)(F)F)nc2c(c1=O)SCC2 16837337 MRWAZLBTKPVLCA-UHFFFAOYSA-N 401.435 3.178 0 40 HGAB COc1ccc(C2=NO[C@@](C)(C(=O)N[C@H](c3ccc(F)cc3)c3nccn3C)C2)cc1 19460853 QCTPUKWTISZPHF-NFBKMPQASA-N 422.460 3.357 0 40 HGAB CN(Cc1ccccc1N1CCOCC1)C(=O)C1(c2ccccc2F)CCOCC1 19662205 LMVKXFMPXYTTMQ-UHFFFAOYSA-N 412.505 3.369 0 40 HGAB CCc1cc(CNC(=O)c2ccc([C@@H]3CCCN(Cc4ccccn4)C3)nc2)on1 19706001 XQOGOCDQLRGPJE-GOSISDBHSA-N 405.502 3.337 0 40 HGAB C[C@@H]1CCCCN1CC(=O)Nc1cnn(CC(=O)Nc2cccc(C(F)(F)F)c2)c1 19746105 ONLAIPRKEWJEBS-CQSZACIVSA-N 423.439 3.354 0 40 HGAB Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)Cc3ccc(C)c(C)c3)cc2)n1 20492189 AKUDQYHHIYFOPB-UHFFFAOYSA-N 410.499 3.384 0 40 HGAB CS(=O)(=O)N(Cc1ccccc1F)c1ccc(OCC(=O)N2CCCCC2)cc1 22233672 NDPCXUSQRDUJJJ-UHFFFAOYSA-N 420.506 3.183 0 40 HGAB Cc1ccccc1OC[C@H](C)NC(=O)CN(c1ccc(Cl)cc1C)S(C)(=O)=O 22336683 BXWSHXHPXJIABZ-INIZCTEOSA-N 424.950 3.307 0 40 HGAB CN(C)[C@H](CNC(=O)[C@H]1CCCN(C(=O)c2cccs2)C1)c1cccc(F)c1 23081689 MYXRTOYOYHHIIR-FUHWJXTLSA-N 403.523 3.159 0 40 HGAB Cc1ccc(CN2C[C@H](C(=O)OCC(=O)Nc3cccc(Cl)c3)CC2=O)cc1 28609523 OOCCHMWKWGQGKW-MRXNPFEDSA-N 400.862 3.179 0 40 HGAB Cc1cc(C)c(NC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)c(C)c1 30754900 ILMYHZUVKDJYJU-QGZVFWFLSA-N 408.907 3.431 0 40 HGAB CSc1ncccc1C(=O)N1CCCc2cc(S(=O)(=O)N3CCCC3)ccc21 32808562 FOOGPUFGHUDVLF-UHFFFAOYSA-N 417.556 3.181 0 40 HGAB O=C(NCCCN1C(=O)NC2(CCCC2)C1=O)c1cc(C2CC2)nc2ccccc12 32883016 GIJLZLAALHNVCV-UHFFFAOYSA-N 406.486 3.097 0 40 HGAB NC(=O)[C@@H](c1ccccc1)N1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 34890409 PNESZVCNXRBPFR-QGZVFWFLSA-N 407.301 3.370 0 40 HGAB COc1cccc(NC(=O)[C@H](NC(=O)[C@@H]2Cc3ccccc3CN2)c2ccccc2)c1 35485604 MESIDAFQUYUKTR-XZOQPEGZSA-N 415.493 3.206 0 40 HGAB COC(=O)[C@H](NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(Cl)cc1F)C(C)C 36585108 JTLHSIAIPABSJO-NVXWUHKLSA-N 408.861 3.057 0 40 HGAB CCn1ccc(CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2cnn(C)c2C)n1 36615290 WRFWCRWIHSEFNM-UHFFFAOYSA-N 401.536 3.464 0 40 HGAB Cc1nc(CSCCC(=O)NCCN2CCN(c3ccccc3)CC2)cs1 40087027 MDPANGANBBBPHE-UHFFFAOYSA-N 404.605 3.013 0 40 HGAB CCOC(=O)c1ccc(NC(=O)[C@@H](C)n2nc(-c3ccc(OC)cc3)ccc2=O)cc1 42380957 DZHIFNHOQNSSOR-OAHLLOKOSA-N 421.453 3.295 0 40 HGAB NC(=O)N[C@H](CC(=O)NCc1cccnc1Oc1cccc(F)c1)c1cccs1 43050102 PKAHRBLPKRLNFL-MRXNPFEDSA-N 414.462 3.490 0 40 HGAB CCCSc1ncc(Br)c(C(=O)NCC(=O)Nc2ccc(C)cc2)n1 46086873 HXTGDWPTPRFMRD-UHFFFAOYSA-N 423.336 3.418 0 40 HGAB CCCNC(=O)c1ccc2c(c1)ncc(=O)n2CC(=O)Nc1ccc(C)cc1Cl 49007994 KMOFEFJQHVKLCJ-UHFFFAOYSA-N 412.877 3.137 0 40 HGAB Cc1cc(C)c2cc(CN(Cc3nnnn3C(C)(C)C)C[C@@H]3CCCO3)c(=O)[nH]c2c1 57607662 DAROHQIDUDYOCM-SFHVURJKSA-N 424.549 3.068 0 40 HGAB CC(C)[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)n1cnc2cc(F)c(F)cc21 58162089 DWVLEVYJXHLGQZ-ZUOKHONESA-N 401.413 3.468 0 40 HGAB CCC(C)(C)C1CCC2(CC1)NC(=O)N(C[C@@H](O)CN(C)Cc1ccccc1)C2=O 58167328 BVCLBYHIMDQNRW-VIHQBZHPSA-N 415.578 3.396 0 40 HGAB Cc1ccc(NC(=O)N(C)C[C@H](O)COCCOC(C)C)c(Br)c1 58343957 LSUGBLVGDNHDHL-AWEZNQCLSA-N 403.317 3.024 0 40 HGAB COc1cc(OC)c2c(C)c(CC(=O)Nc3nnc(C4CCC4)s3)c(=O)oc2c1 61717968 SXFBOEKWAMNXHQ-UHFFFAOYSA-N 415.471 3.419 0 40 HGAB COc1cccc([C@@H](NC(=O)c2ccc(-c3cccs3)[nH]c2=O)c2nccn2C)c1 65519110 ZFXQTWYNZAZFQS-LJQANCHMSA-N 420.494 3.365 0 40 HGAB CC(=O)c1ccc(N2CCN(C(=O)c3cn(-c4ccc(C)c(C)c4)nn3)CC2)cc1 67263070 HTWMYKQPHUMLJK-UHFFFAOYSA-N 403.486 3.049 0 40 HGAB Cc1ccccc1OCc1nnc(SCC(=O)Nc2cccc(C(=O)O)c2)n1C 72191526 CJSHZFZZZXFUQW-UHFFFAOYSA-N 412.471 3.132 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2ccc(N3CCOCC3)nc2C)cc1 72219664 ASEHKPOOVFRBSA-NRFANRHFSA-N 415.559 3.451 0 40 HGAB CN(C)c1ncc(-c2ccncc2)c([C@@H]2CCCN2C(=O)CCc2ccncc2)n1 72341474 CWAWLMACTCHNPO-FQEVSTJZSA-N 402.502 3.296 0 40 HGAB CCc1nc(=O)c2ccccc2n1C1=CCN(C(=O)CCc2c(C)noc2C)CC1 72348260 XDAFTAZOMIDJSL-UHFFFAOYSA-N 406.486 3.270 0 40 HGAB COc1ccc2[nH]cc(CCNC(=O)[C@@H]3CCCN(c4ccc(Cl)nn4)C3)c2c1 79474994 DWHQMBIFMAPFNZ-OAHLLOKOSA-N 413.909 3.195 0 40 HGAB CC(C)[C@@H](NS(=O)(=O)c1cc(S(C)(=O)=O)ccc1Cl)c1ccccc1N 95944676 KNEPMDSKTOUQJE-QGZVFWFLSA-N 416.952 3.001 0 40 HGAB O=C1CCC[C@H]1[C@@H]1COCCN1S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F 96006766 CWZRPWMBHVNMEY-AAEUAGOBSA-N 411.829 3.118 0 40 HGAB COc1ccc(-c2noc(C(=O)O)c2[C@@H](C)NS(=O)(=O)c2ccccc2)cc1 96296869 HPIHIOCXLDOTNS-GFCCVEGCSA-N 402.428 3.088 0 40 HGAB biogenic,in-vitro COc1ccc2c3c1O[C@H]1[C@]34CCN(C)[C@H](C2)[C@]42C=C[C@@]1(OC)[C@](C)(C(C)(C)O)C2 96316434 AKBVQTSSRCUQMV-NRRIHCQJSA-N 411.542 3.077 0 40 HGAB biogenic,in-vitro O=C(N1CCC(Oc2cccnc2)CC1)C12C[C@H]3C[C@H](C1)CC(n1cncn1)(C3)C2 100773405 RIGLBWOETDNSEI-YUOVDFJASA-N 407.518 3.039 0 40 HGAB CCOC(=S)SCC(=O)N1CCc2ccccc2[C@@H]1C1C(=O)CCCC1=O 101027941 DQVISPBCOWEEQA-LJQANCHMSA-N 405.541 3.105 0 40 HGAB C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)C[C@@H]3C[C@H]4CC[C@H]3C4)cc2)C[C@@H](C)O1 103998174 CZEDICXVXAQFFV-ADHGMGHFSA-N 406.548 3.249 0 40 HGAB Cc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)cc1 219013143 CRIJHGQDTHSKTA-IBGZPJMESA-N 416.543 3.343 0 40 HGAB CC[C@@H](C(=O)N[C@@H](C)COc1ccc(C)cc1)N(c1ccc(C)cc1)S(C)(=O)=O 219102018 DHKASGAMHVCVTG-RXVVDRJESA-N 418.559 3.432 0 40 HGAB CC[C@H](Oc1ccccc1F)C(=O)NCc1nc(-c2ccc(OC)cc2OC)no1 219584319 OWJOWYRXUYRSJE-INIZCTEOSA-N 415.421 3.367 0 40 HGAB Cc1cccc(C)c1N(CC(=O)NCc1cccc(C(F)(F)F)c1)S(C)(=O)=O 223769712 GEMSMTWNKAIEKK-UHFFFAOYSA-N 414.449 3.405 0 40 HGAB CCOC(=O)c1cc(NS(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)ccc1Cl 223845225 AJEJGNYMZNZSGP-UHFFFAOYSA-N 422.890 3.227 0 40 HGAB COc1ccc(S(=O)(=O)Nc2cccc(C(=O)N(C)Cc3ccco3)c2)cc1 224098459 YQIOYAGCLOMHOB-UHFFFAOYSA-N 400.456 3.361 0 40 HGAB CCOC(=O)CN(c1ccccc1OCC)S(=O)(=O)c1ccc(OCC)cc1 224584625 OOOJVNOAOZNNBP-UHFFFAOYSA-N 407.488 3.242 0 40 HGAB CCn1c(=O)sc2cc(NC(=O)c3ccc(NS(C)(=O)=O)c(C)c3)ccc21 225095940 XUGUWYXBBGEJAU-UHFFFAOYSA-N 405.501 3.015 0 40 HGAB COC(=O)c1ccc(CS(=O)(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)cc1 225160530 FALDSVJXTGOTSO-UHFFFAOYSA-N 420.512 3.372 0 40 HGAB Cc1cc(F)ccc1S(=O)(=O)N1CC[C@@H](Oc2cc(C(F)(F)F)ccn2)C1 225737400 ZYKQVUSALILMFQ-CQSZACIVSA-N 404.385 3.390 0 40 HGAB COCCCNC(=S)Nc1nc(N2CCCCC2)cc(N2CCC[C@@H](C)C2)n1 225900536 NMWRPVRAQFCFBZ-MRXNPFEDSA-N 406.600 3.026 0 40 HGAB COc1ccc(NC(=O)[C@]2(C)CCCN(Cc3ccccc3)S2(=O)=O)cc1OC 225952467 ZAYNXZDXQGUGFT-NRFANRHFSA-N 418.515 3.027 0 40 HGAB CC(=O)c1ccc(S(=O)(=O)N2C[C@@H]3[C@@H](CCC[C@@]3(O)c3cccc(F)c3)C2)cc1 253385320 SFNBNXWELRUCGK-MTNREXPMSA-N 417.502 3.337 0 40 HGAB Cc1cc(-c2nccn2C)nc(CC2CCN(C(=O)c3n[nH]c4ccccc34)CC2)n1 257285092 PFPZZKFGENQWID-UHFFFAOYSA-N 415.501 3.157 0 40 HGAB Cc1c(CN2CCO[C@H](c3cc(CCOc4ccccc4Cl)[nH]n3)C2)cnn1C 257329723 XLFWBYBXPRORBB-NRFANRHFSA-N 415.925 3.300 0 40 HGAB COC(=O)CN1C(=O)N/C(=C/c2cn(Cc3ccc(C)cc3)c3ccccc23)C1=O 408547971 BDLDITXXJUQTGA-YBFXNURJSA-N 403.438 3.064 0 40 HGAB CCCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(OCC)cc2)cc1 408553662 ATACKDXAPZVLFF-UHFFFAOYSA-N 406.504 3.181 0 40 HGAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2c(F)cccc2F)cc1Cl 408604385 MBGLULVDZISIEA-SNVBAGLBSA-N 418.849 3.322 0 40 HGAB CCn1c(SCC(=O)N[C@H]2C[C@H]3CC[C@H]2C3)nnc1-c1cccc(NC(C)=O)c1 408637483 KZHZHNHJIDPEOF-MPGHIAIKSA-N 413.547 3.320 0 40 HGAB COc1cc(C(c2c(O)n[nH]c2C)c2c(O)n[nH]c2C)ccc1OC(=O)c1ccco1 409054623 ANDXQIKNEVQZKJ-UHFFFAOYSA-N 424.413 3.162 0 40 HGAB O=C1c2ccccc2CN1CC(=O)N1CCCC2=C[C@H]3C[C@H](CN4CCCC[C@H]34)[C@@H]21 524731442 YANKGUFDQNGLKJ-LNGMVNIQSA-N 405.542 3.064 0 40 HGAB Cc1cncc(CO[C@@H]2CCOC3(C2)CN(C(=O)Cc2ccc4c(c2)CCCO4)C3)c1 575404020 LGGCPBWJNZCLDH-JOCHJYFZSA-N 422.525 3.234 0 40 HGAB C[C@H](Oc1ccc2c(c1)OCO2)C(=O)N1Cc2ccccc2[C@@H](c2cnn(C)c2)C1 575621280 ZZMJDZBUWHCLAQ-MGPUTAFESA-N 405.454 3.090 0 40 HGAB Cn1cnc2cc(NC(=O)CC3(N4Cc5ccccc5C4=O)CCOCC3)ccc21 1548349050 XLCRDFTZSYLHHW-UHFFFAOYSA-N 404.470 3.107 0 40 HGAB Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccn2)c2ccccc2C)cc1 886354 MSDIXJWKANSILJ-UHFFFAOYSA-N 409.511 3.210 0 40 HGAB Cc1cc(C)cc(NC(=O)N2CCC[C@@H]2C(=O)Nc2ccc(-n3cnnn3)c(C)c2)c1 1343102 CMKKECXJYCYRDB-HXUWFJFHSA-N 419.489 3.223 0 40 HGAB CCCN1C(=O)[C@](O)(CC(=O)c2ccccc2O)c2cc(Br)ccc21 2217981 OMCNAXJJQBJMDK-IBGZPJMESA-N 404.260 3.372 0 40 HGAB CCCCn1c(SCC(=O)NC(=O)NCc2ccccc2)nc2ccccc2c1=O 2619340 NIAPPDAIGVRFAT-UHFFFAOYSA-N 424.526 3.315 0 40 HGAB CC[C@@]1(c2cccc(Cl)c2)NC(=O)N(CC(=O)N2c3ccccc3C[C@@H]2C)C1=O 2632900 KJSJDEFWYDKYJZ-FPTDNZKUSA-N 411.889 3.475 0 40 HGAB O=C(COC(=O)c1ccncc1)Nc1ccc(Br)cc1Br 3248146 GHRPYAHZDPWKOQ-UHFFFAOYSA-N 414.053 3.402 0 40 HGAB O=C(NCCN1C(=O)S/C(=C\c2cccnc2)C1=O)c1cccc(OC(F)F)c1 3269172 RCKUZCZZUOYUBE-DHDCSXOGSA-N 419.409 3.149 0 40 HGAB Cc1c(NC(=O)CN2CC=C(c3ccccc3)CC2)c(=O)n(-c2ccccc2)n1C 3323620 WEKLLAIFIFEAKF-UHFFFAOYSA-N 402.498 3.212 0 40 HGAB C[C@]1(C(=O)Nc2ccc(I)cc2)Cc2ccccc2C(=O)O1 3360020 DGLIRABHPQEWLB-QGZVFWFLSA-N 407.207 3.402 0 40 HGAB CCNC(=O)NC(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1-c1cc(C)cc(C)c1 3521516 KJGUDAXFZMMILK-HNNXBMFYSA-N 424.526 3.329 0 40 HGAB CC(=O)c1ccc(-c2ccc(/C=c3\sc4nc(-c5ccco5)nn4c3=O)o2)cc1 3649364 AOSUGHPMTCNEEB-WQRHYEAKSA-N 403.419 3.421 0 40 HGAB Cn1c(=O)c2c(SCc3ccc(Cl)cc3)nc(-c3ccco3)nc2n(C)c1=O 4139164 RVVZZJQUTDIFGS-UHFFFAOYSA-N 414.874 3.233 0 40 HGAB COc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccncc4)[C@H]3C2=O)cc1 4140186 ZWEYECKGSIUVIR-NJYVYQBISA-N 401.422 3.141 0 40 HGAB CCOC(=O)CNC(=O)CSc1nc(-c2ccccc2)nc2ccc(OC)cc12 4161685 QCVRRSGJPDPWHO-UHFFFAOYSA-N 411.483 3.077 0 40 HGAB C[C@@H](Oc1ccccc1)c1nnc(SCC(=O)Nc2nnc(C3CC3)s2)n1C 4814882 LYRVTUBUZYGLCA-LLVKDONJSA-N 416.532 3.415 0 40 HGAB Cc1cccc(NC(=O)CNC(=O)COC(=O)c2cc(F)c(F)cc2Cl)c1C 4847085 JZPIAEKHKNFBPB-UHFFFAOYSA-N 410.804 3.147 0 40 HGAB CCc1ccc(N(CC(=O)NC(C)(C)C)C(=O)CCC(=O)Nc2ccccn2)cc1 4848215 ZMBDWEXENXOQAM-UHFFFAOYSA-N 410.518 3.311 0 40 HGAB COc1cc(NC(=O)CN2CCC(n3nnc4cc(C)ccc43)CC2)cc(OC)c1 4968211 SOBUWSFDIRZQFA-UHFFFAOYSA-N 409.490 3.033 0 40 HGAB NC(=O)c1ccccc1NC(=O)c1cccn(Cc2cccc(C(F)(F)F)c2)c1=O 5270322 KVGUUEVHRPBWBJ-UHFFFAOYSA-N 415.371 3.267 0 40 HGAB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cn(C)c3ccccc23)C1=O 6945434 PIFRKDTXHPNIBC-XDHOZWIPSA-N 402.454 3.272 0 40 HGAB O=C(Cn1nnc(-c2ccc(Br)cc2)n1)N1CC[C@@H]2CCCC[C@H]2C1 7337136 WONAKPJRMKTXNM-ZFWWWQNUSA-N 404.312 3.141 0 40 HGAB CCN(CC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)Cc1ccccc1 7444993 IJYSVRVHFJVLTA-UHFFFAOYSA-N 415.559 3.322 0 40 HGAB Cc1ccc(CNC(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 7670971 KGLYJWLRQCNFIB-UHFFFAOYSA-N 400.544 3.419 0 40 HGAB Cc1ccc(-n2c(SCC(=O)NC[C@H]3CCCO3)nc3ccccc3c2=O)cc1C 7755557 YKTMLFLPEHCEIO-GOSISDBHSA-N 423.538 3.390 0 40 HGAB CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCc3cc(C)on3)o2)c1 7821971 APTZMKVEIUQSKD-UHFFFAOYSA-N 408.505 3.356 0 40 HGAB Cc1ccc(CN2C[C@H](C(=O)N3CCN(c4ccccc4Cl)CC3)CC2=O)cc1 8014868 MOMFLQYDVIQKDW-LJQANCHMSA-N 411.933 3.346 0 40 HGAB CCN(c1ccc(C(=O)CSc2nnc(C3CC3)n2C2CC2)cc1)S(C)(=O)=O 8075841 KVPZCYYVKSJXDI-UHFFFAOYSA-N 420.560 3.251 0 40 HGAB CCc1nc2ccccc2n1CC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 8719765 XQOJFQOMNWLOAK-UHFFFAOYSA-N 412.515 3.022 0 40 HGAB CN1CCN(c2nc3ccccc3c3nnc(-c4ccc(Br)cc4)n23)CC1 8873257 SFJVRLJJDZQDKI-UHFFFAOYSA-N 423.318 3.459 0 40 HGAB Cc1noc(C)c1COc1ccc(CC(=O)N2CCN(c3ccccn3)CC2)cc1 8985086 OQRRDMXBPINOTD-UHFFFAOYSA-N 406.486 3.157 0 40 HGAB CCOc1ccc2nc(N[C@@](NC(=O)CC)(C(=O)OC)C(F)(F)F)sc2c1 9087771 IAPUWMMVMPOVSB-HNNXBMFYSA-N 405.398 3.065 0 40 HGAB Cn1c(CNC(=O)c2ccc3c(c2)OCO3)nnc1SCc1ccc(Cl)cc1 9328789 XHXGSQYJIIECMM-UHFFFAOYSA-N 416.890 3.420 0 40 HGAB COc1cc(-c2ccc(SCC(=O)Nc3nccs3)nn2)cc(OC)c1OC 10220848 QAYIVCUXEOKXRV-UHFFFAOYSA-N 418.500 3.357 0 40 HGAB CS(=O)(=O)Nc1cccc(C(=O)Nc2ccccc2C(=O)NCc2ccccc2)c1 10314846 DSJRTPLTYXFEJT-UHFFFAOYSA-N 423.494 3.240 0 40 HGAB Cn1c(SCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)nnc1-c1cc2ccccc2o1 10675153 AHXFJDVVSBGXPH-UHFFFAOYSA-N 420.454 3.129 0 40 HGAB O=C(NCCn1ncc2c(N3CCCCCC3)ncnc21)c1cc2ccccc2o1 11666041 GTTBSIPQOXASRA-UHFFFAOYSA-N 404.474 3.383 0 40 HGAB O=C(Nc1nnc(-c2ccc(Br)s2)o1)[C@H]1COc2ccccc2O1 11695464 ASHPJEUZRHGDOV-SNVBAGLBSA-N 408.233 3.339 0 40 HGAB O=C(COc1ccc(-n2cnnn2)cc1)Nc1ccc(Br)cc1Cl 11870739 CUMNLXCFTAMUJQ-UHFFFAOYSA-N 408.643 3.096 0 40 HGAB Cc1cc(C)n(-c2ccc(C(=O)N3CCC4(CC3)NC(=O)c3ccccc3N4)cc2)n1 12117925 JDIYBQVQMKVUGP-UHFFFAOYSA-N 415.497 3.277 0 40 HGAB CCCSc1nnc(NC(=O)CSc2nnnn2-c2ccc(C)cc2C)s1 12293297 BVYLXWCNVZZDKN-UHFFFAOYSA-N 421.577 3.364 0 40 HGAB Cc1csc(NC(=O)c2ccc(CNS(=O)(=O)c3ccc(F)cc3)cc2)n1 12409395 ZDGDLMDMGWJNLW-UHFFFAOYSA-N 405.476 3.321 0 40 HGAB CCc1ccc(N2C[C@H](C(=O)Nc3ccc(N4CCN(C)CC4)cc3C)CC2=O)cc1 12514850 BNDSAOBMWZSDAU-HXUWFJFHSA-N 420.557 3.301 0 40 HGAB Cc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3ccccc3N3CCCC3)C2=O)cc1 12537288 FICFAVYVRUXMEH-QHCPKHFHSA-N 406.486 3.001 0 40 HGAB CSCC[C@@H](NS(=O)(=O)c1cc(C)ccc1C)C(=O)N1CCc2ccccc21 12751245 QERWFISJPRZHGC-GOSISDBHSA-N 418.584 3.293 0 40 HGAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C1(c2cccc(C)c2)CCC1 12796815 DVBZZCROOACBQL-UHFFFAOYSA-N 402.516 3.314 0 40 HGAB CC[C@H](NC(=O)Cc1n[nH]c(=O)c2ccccc12)c1ccc(Br)cc1 12909951 VZBGJKRNRQHYAV-INIZCTEOSA-N 400.276 3.496 0 40 HGAB CCOCCCNc1nnc(SCC(=O)c2ccc(N3CCCC3=O)cc2)s1 12915020 YDMKBJXHUJZTFG-UHFFFAOYSA-N 420.560 3.478 0 40 HGAB C[C@H]1CCc2c(sc3nc([C@H](C)Sc4nnc(N)n4C4CC4)[nH]c(=O)c23)C1 12919108 RPMZBICCKADFCX-IUCAKERBSA-N 402.549 3.471 0 40 HGAB COc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3cccs3)C2)cc1NC(C)=O 12982392 XIIBSVLSKASYJM-AWEZNQCLSA-N 401.488 3.206 0 40 HGAB CCc1sc(C(=O)OCC(=O)N2CCc3cc(OC)c(OC)cc3C2)cc1C 12993750 FPKNGWCPOIFVOO-UHFFFAOYSA-N 403.500 3.378 0 40 HGAB CCC(CC)C(=O)N1CCC[C@@H](c2nc(O)c3nnn(Cc4ccc(C)cc4)c3n2)C1 13083379 GOSSOKAXCZEJBT-GOSISDBHSA-N 422.533 3.426 0 40 HGAB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)O)c2)cc1I 13349961 KLNJTZWRKJBQII-UHFFFAOYSA-N 417.224 3.099 0 40 HGAB Cc1ccc(NC(=O)[C@@H]2CC(=O)N(C[C@@H]3CCCO3)c3nc4ccccc4n32)cc1 13999273 SKQHUOKHFPMIFW-PXNSSMCTSA-N 404.470 3.440 0 40 HGAB CCC1=Nc2ccccc2N=C(NC(=O)CN2CCOCC2)[C@H]1c1ccc(OC)cc1 14608106 CAYYRQORJLCVOB-QHCPKHFHSA-N 420.513 3.454 0 40 HGAB O=C(Nc1ccc(CN2CCOCC2)cc1)c1ccc(I)cc1 16401465 DEPFVTXHGVSVCN-UHFFFAOYSA-N 422.266 3.376 0 40 HGAB Cn1cc(CCC(=O)N2CCO[C@@H](c3nc(-c4ccccn4)no3)C2)c2ccccc21 19290417 GCZJIMSOWAMUTR-HXUWFJFHSA-N 417.469 3.156 0 40 HGAB O=C(NCCn1ncc(-c2cnccn2)c1-c1cccs1)c1ccc2c(c1)OCO2 19344067 UVCQZNHODURKGU-UHFFFAOYSA-N 419.466 3.227 0 40 HGAB CCCC(=O)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)CN(C(=O)CC1CCCCC1)CC2 19501340 LMHJHMMHZOTSHX-LJQANCHMSA-N 414.550 3.089 0 40 HGAB CCNC(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)CN(C(=O)CC(C)C)CCO1 19529243 LAUPWTNPQNLPEK-DEOSSOPVSA-N 409.530 3.071 0 40 HGAB COc1ccc(-c2ccc(C[C@@]3(C(N)=O)CCCN(C(=O)[C@H]4CCCO4)C3)cc2)cc1 19558214 GHEACVKCPGDPAK-RDGATRHJSA-N 422.525 3.178 0 40 HGAB COc1ccc(-c2cnc(N(C)C)nc2[C@H]2CCCCN2C(=O)Cn2cccn2)cc1 19694620 AFSCSOPEJYXNFL-HXUWFJFHSA-N 420.517 3.169 0 40 HGAB O=C(c1n[nH]c2c1CCCC2)N1CC[C@H](c2cc(COc3cccc(F)c3)[nH]n2)C1 19704680 KNJJGOWDLBEHKK-AWEZNQCLSA-N 409.465 3.359 0 40 HGAB CSc1nc(Sc2cn[nH]n2)c(-c2ccccc2)c(Sc2cn[nH]n2)n1 20031835 LOFDZQVMWPJQGR-UHFFFAOYSA-N 400.518 3.404 0 40 HGAB COC(=O)c1ccc(OCC(=O)N2c3ccccc3NC(=O)C[C@@H]2C(F)(F)F)cc1 21317528 VXCLFSJDJHYKTA-MRXNPFEDSA-N 422.359 3.158 0 40 HGAB COc1cc(NC(=O)[C@@H](NC(=O)c2cccc(C)c2)C(C)C)cc(OC)c1OC 21704466 RQOKZCHUKHSPBA-IBGZPJMESA-N 400.475 3.414 0 40 HGAB CC[C@@H](NC(=O)CN(c1cccc(OC)c1)S(C)(=O)=O)c1ccc(C)cc1C 22332428 ALQKJWFVJKFMJJ-HXUWFJFHSA-N 404.532 3.346 0 40 HGAB Cc1cc(C)c([C@@H](C)NC(=O)CN(CCc2ccccc2)S(C)(=O)=O)cc1C 22536055 DMLICIQERGTHJC-LJQANCHMSA-N 402.560 3.293 0 40 HGAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)N[C@H](C)c2ccc(F)cc2)cc1 22536147 GFMFANCTRHIGHZ-OAHLLOKOSA-N 408.495 3.112 0 40 HGAB COc1ccc([C@H](CNC(=O)CCC(=O)c2ccc(C)s2)N2CCOCC2)cc1 22686471 BYLIAUGZZHFXHQ-IBGZPJMESA-N 416.543 3.218 0 40 HGAB CCCNC(=O)CN1CCN([C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)CC1 22787897 VXXJWHYWYJSFPU-DEOSSOPVSA-N 418.541 3.236 0 40 HGAB C[C@H](c1nnc(-c2ccc(F)cc2)o1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 22925516 OGXJGNORINUHFE-OAHLLOKOSA-N 410.449 3.483 0 40 HGAB Cc1ccc(-c2csc3nc(CN4CCN(C(=O)C5CC5)CC4)[nH]c(=O)c23)s1 24001985 IPZITQRANBOMFM-UHFFFAOYSA-N 414.556 3.076 0 40 HGAB COc1ccccc1CN(Cc1cccs1)C(=O)CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O 24023817 XJCYJQNEDXBCTI-RTBURBONSA-N 424.522 3.237 0 40 HGAB CCn1c(=O)n(CC)c2cc(N3CCCC3)c(NC(=O)c3ccc4c(c3)OCO4)cc21 28049099 JIDJDAXWHXBTCJ-UHFFFAOYSA-N 422.485 3.424 0 40 HGAB Cc1cccc(N2CCN(CCCCNS(=O)(=O)/C=C/c3ccccc3)CC2)c1 30361157 WRBDRVCTICGWPF-XDHOZWIPSA-N 413.587 3.488 0 40 HGAB COc1ccc2c(c1)CCCN2C(=O)CNc1cccc(-c2nnnn2C2CC2)c1 32770363 LFCCURSTKVTAIY-UHFFFAOYSA-N 404.474 3.075 0 40 HGAB Cc1c(NC(=O)CCC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)c(=O)n(-c2ccccc2)n1C 36167328 NQLWYQQUXBEHIJ-JTDSTZFVSA-N 412.534 3.144 0 40 HGAB CN(C)S(=O)(=O)c1ccc2oc(COc3ccc(C(=O)NC4CC4)cc3)cc2c1 36366588 LKKFHUDJWUAGBK-UHFFFAOYSA-N 414.483 3.154 0 40 HGAB CS(=O)(=O)N1CCC(NC(=O)c2cc(-c3cccs3)nc3ccccc23)CC1 36393354 XJHPJGLYQVCICG-UHFFFAOYSA-N 415.540 3.117 0 40 HGAB CCCCOc1ccc(S(=O)(=O)N2CCN(C(=O)OCC)CC2)c2ccccc12 36636337 OPUSDQWVDSVCFN-UHFFFAOYSA-N 420.531 3.482 0 40 HGAB O=C(Cc1ccc(OC(F)F)cc1)N(Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 39978476 LUOPWNLTSOCINE-KRWDZBQOSA-N 409.454 3.046 0 40 HGAB CN1CCN(C(=O)Nc2ccc(C(=O)NCC(F)(F)F)cc2)[C@@H](c2ccccc2)C1 40104966 PZVUDGXJTOANRM-GOSISDBHSA-N 420.435 3.499 0 40 HGAB Cc1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc4c(c3)CCCC4)C2)n1 40149813 WIBQBTGOCOFIME-IBGZPJMESA-N 413.543 3.308 0 40 HGAB NC(=O)c1ccc(NC(=O)CC2(Cn3cnc4ccccc4c3=O)CCCCC2)cc1 40266360 AFFUCHOJEMATAZ-UHFFFAOYSA-N 418.497 3.475 0 40 HGAB Cn1cc(-c2nc(C(=O)Nc3cccc(NC(=O)c4cccnc4)c3)cs2)cn1 45021128 GRNWPEHABWWUKL-UHFFFAOYSA-N 404.455 3.443 0 40 HGAB COc1ccc(NC(=O)c2cccnc2-n2cncn2)cc1NC(=O)OC(C)(C)C 48199464 JVFQJVHOHGKMMP-UHFFFAOYSA-N 410.434 3.270 0 40 HGAB Cc1ccc([C@@H]2NC(=O)N(CC(=O)Nc3cc(C)cc(C)c3)C3=C2C(=O)OC3)cc1 49402839 VVTCQEWREFIUFI-NRFANRHFSA-N 405.454 3.128 0 40 HGAB C[C@H]1CN(CCCNC(=O)N(C)Cc2csc(Br)c2)C[C@H](C)O1 57481381 UUCDHYIKTKUAKP-STQMWFEESA-N 404.374 3.151 0 40 HGAB COc1ccc(NC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2C(C)C)cc1OC 67236027 VVVCYFPSVWNVGG-UHFFFAOYSA-N 416.503 3.362 0 40 HGAB CCOc1cc(CN2CCC[C@@H](c3cc(=O)[nH]c(-c4cccnc4)n3)C2)ccc1O 72393107 WAVYIIFSDOQDKN-GOSISDBHSA-N 406.486 3.316 0 40 HGAB O=C(Nc1cccc(S(=O)(=O)NCc2ccco2)c1)c1[nH]nc(C2CC2)c1Cl 84380059 LDKSCZHITHDFMB-UHFFFAOYSA-N 420.878 3.264 0 40 HGAB COc1ccccc1N1CCN(CC(=O)N2CCC(Cc3ccccc3)CC2)CC1 89473915 CATCIQRONJAJCA-UHFFFAOYSA-N 407.558 3.299 0 40 HGAB CC(C)Cc1ccc([C@H](C)NC(=O)CN2CCC3(CC2)SCC(=O)N3C)cc1 95469403 MHJASUGTGGKYBA-KRWDZBQOSA-N 403.592 3.060 0 40 HGAB C[C@@H](NCc1ccccc1-n1ccnc1)[C@H]1CN(C(=O)OCc2ccccc2)CCO1 96013573 CZBNFNZDZMBRRF-AUSIDOKSSA-N 420.513 3.388 0 40 HGAB NC(=O)C1CCN(C(=O)c2cc(-c3ccnn3C3CCCC3)n3ccccc23)CC1 96154795 MKUYBMLIQKFTLO-UHFFFAOYSA-N 405.502 3.255 0 40 HGAB Cc1nc(-c2cc(C(=O)N3CC[C@@H](N(C)C)C3)c3ccccn23)cn1-c1ccccn1 96154976 LDTAULXXKZEKIB-GOSISDBHSA-N 414.513 3.272 0 40 HGAB C[C@H](CNC(=O)C1=NO[C@@]2(CCN(Cc3ccc4c(c3)OCO4)C2)C1)c1ccccc1 96225731 FDVNYAVAXFCJSU-OSPHWJPCSA-N 421.497 3.056 0 40 HGAB O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@H]2C1=O)Nc1ccc(Oc2ccccc2)cc1 100283423 BHLDCODYWYEGSQ-XWOVPUAZSA-N 414.461 3.471 0 40 HGAB Cc1nc(-c2ccc(CNC(=O)CCN3C(=O)[C@H]4CCCC[C@@H]4C3=O)s2)cs1 100799319 ZPUWWFNKAOKAQP-GJZGRUSLSA-N 417.556 3.362 0 40 HGAB C[C@@H](C(=O)Nc1nc(-c2cc(F)ccc2F)cs1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 103464803 VPPVVVJBVRABFT-CYZMBNFOSA-N 417.437 3.367 0 40 HGAB Cc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2CCO)c(Cl)c1 206597876 UAJGJIRQQAJMQB-UHFFFAOYSA-N 409.920 3.143 0 40 HGAB COc1ccc(C)cc1NC(=O)[C@H](C)N(c1cc(C)ccc1OC)S(C)(=O)=O 220333327 OICQAEVCEXQGJK-HNNXBMFYSA-N 406.504 3.114 0 40 HGAB COc1ccc(N(CCCC(=O)NCCCc2ccc(C)cc2)S(C)(=O)=O)cc1 222605674 OFUXSFLLQRDKEN-UHFFFAOYSA-N 418.559 3.299 0 40 HGAB CCC(=O)Nc1nnc(S(=O)(=O)Nc2ccc(Oc3ccccc3)cc2)s1 223882853 NEWOFXJVBXFMPH-UHFFFAOYSA-N 404.473 3.480 0 40 HGAB CNC(=O)[C@H](N)Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1 223908331 SURIMOCYPMTPNV-XMMPIXPASA-N 410.521 3.339 0 40 HGAB CCCOCc1cc(C(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)ccc1OC 224419770 NDRDGSRVNGFTQM-UHFFFAOYSA-N 415.442 3.447 0 40 HGAB Cn1cnc(S(=O)(=O)N2CCCC[C@H]2c2ncc(Cc3ccc(F)cc3)o2)c1 257228756 FVCOYNHKUCLEDZ-KRWDZBQOSA-N 404.467 3.054 0 40 HGAB CC(C)CN1C(=O)C2(CCN(C(=O)c3ccnnc3)CC2)C[C@H]1Cc1ccccc1 257297204 RGHQZWBMTYIINN-OAQYLSRUSA-N 406.530 3.199 0 40 HGAB COCCn1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C[C@H]2CCCO2)c1C 260925676 WRNFINVZKZZPCA-JRGCBEDISA-N 414.575 3.298 0 40 HGAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccc(F)c(Cl)c2)cc1C 408624455 QHRBLWXDZRMSJS-GFCCVEGCSA-N 414.886 3.492 0 40 HGAB COc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3cccc4ccccc34)CC2=O)cc1 408662682 XKXWEEAHYGRLDX-KRWDZBQOSA-N 418.449 3.383 0 40 HGAB CC(C)(C)NS(=O)(=O)c1ccc(OCC(=O)NCc2ccc(Cl)cc2)cc1 409189338 JMARLEXIBHBQJS-UHFFFAOYSA-N 410.923 3.112 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccc(Cl)cc3)C2)cc1 409239534 NSXRRYWNEXVQRQ-QGZVFWFLSA-N 406.935 3.366 0 40 HGAB Cc1ccc(NC(=O)CSc2nnc(CC(=O)Nc3ccccc3)n2C)cc1C 409335041 XKBKIRQHUFXGAF-UHFFFAOYSA-N 409.515 3.344 0 40 HGAB CC(C)CNC(=O)COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1Cl 409391320 MZBZIWSAGUCKGY-UHFFFAOYSA-N 422.934 3.242 0 40 HGAB O=C(Nc1nc(-c2cccnc2)cs1)[C@H]1CCCN(c2cc3c(nn2)CCC3)C1 585150289 JTRFQEYOYBRDOQ-INIZCTEOSA-N 406.515 3.339 0 40 HGAB C[C@@]1(O)CCN(C(=O)C2CCC2)[C@@H](c2ccccc2)[C@@H]1NC(=O)c1ccc(F)cc1 604383140 PCVSDWCWNSTYSR-AWRGLXIESA-N 410.489 3.449 0 40 HGAB biogenic,in-vitro Cc1cc(F)ccc1S(=O)(=O)N1CCC[C@](O)(COc2ccc(F)cc2)CC1 2037912613 QGNPCHUHACWHSK-HXUWFJFHSA-N 411.470 3.258 0 40 HGAB COc1cccc(NC(=O)C2=C(C)NC(=S)N[C@H]2c2ccc(OC)c(OC)c2)c1 641411 JWDVZOUICWSLMF-IBGZPJMESA-N 413.499 3.144 0 40 HGAB Cc1cc(C)cc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)on3)cc2)c1 677127 HSOMKMQGWAZGBT-UHFFFAOYSA-N 415.471 3.418 0 40 HGAB Cc1ccccc1Cn1c(N[C@@H]2C[C@H](C)CC(C)(C)C2)nc2c1c(=O)[nH]c(=O)n2C 1271450 KHANHDCQXWGYIQ-WMLDXEAASA-N 409.534 3.407 0 40 HGAB CCC(=O)Oc1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 1508939 DTSYHRFAPFUJOW-UHFFFAOYSA-N 402.472 3.039 0 40 HGAB CC1(C)CC(N2CC(=O)N3[C@@H](Cc4c([nH]c5ccccc45)C3(C)C)C2=O)CC(C)(C)N1 2106926 FCCRNBJNQKLADV-IBGZPJMESA-N 422.573 3.308 0 40 HGAB biogenic Cc1ccc(O[C@H](C)C(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)cc1C 2233965 UHCCNVAJOSCQAE-IAGOWNOFSA-N 407.557 3.348 0 40 HGAB O=C(COc1ncnc2sc3c(c12)CCCC3)N1CCN(c2ccccc2)CC1 2652724 GNMIGXYFBUCTNL-UHFFFAOYSA-N 408.527 3.298 0 40 HGAB Cc1ccc(CNC(=O)C(=O)c2cn(CC(=O)N3CCCCC3)c3ccccc23)cc1 3015354 BDKFMIBDTIUAAC-UHFFFAOYSA-N 417.509 3.461 0 40 HGAB COC(=O)[C@@](NS(=O)(=O)c1ccccc1)(c1c[nH]c2ccccc12)C(F)(F)F 3103070 FVZXGNIMLMYIQO-KRWDZBQOSA-N 412.389 3.077 0 40 HGAB C[C@@H](Nc1ccc(I)cc1)C(=O)Nc1ccc2c(c1)OCO2 3377341 CFWUBGUTWVBRRP-SNVBAGLBSA-N 410.211 3.459 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1cccc(Cl)c1C 3554190 QAQMCPDORSYZMY-UHFFFAOYSA-N 408.907 3.230 0 40 HGAB Cc1nn(Cc2ccccc2Cl)c(C)c1NC(=O)[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)O 4111153 ZGVJDVGMFDKWHA-TWMKSMIVSA-N 403.866 3.018 0 40 HGAB CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N(CC(F)(F)F)[C@@H](C)C2CC2)C1=O 4306651 IYVAOUNMMXYYRK-DJJJIMSYSA-N 411.424 3.033 0 40 HGAB Cc1ccc(Cn2c(=O)n(CCCC(=O)NC3CCCC3)c(=O)c3ccccc32)cc1 4907315 MQYGKNJYJRHOJT-UHFFFAOYSA-N 419.525 3.359 0 40 HGAB CCCOc1ccc(/C=C2\SC(=O)N(CC(=O)N3CCCC3)C2=O)cc1OC 6941945 SPOUMIWAXBHHDT-ATVHPVEESA-N 404.488 3.143 0 40 HGAB O=C(CN1CCC(c2nc3ccccc3s2)CC1)NC[C@H]1COc2ccccc2O1 8076280 ZSUPDKXRVSCOQD-KRWDZBQOSA-N 423.538 3.432 0 40 HGAB Cn1nc(C(=O)Nc2cc(C(F)(F)F)ccc2-n2cccn2)c2ccccc2c1=O 8156272 IPJXTQIHOWOSIK-UHFFFAOYSA-N 413.359 3.390 0 40 HGAB O=C1CN(S(=O)(=O)c2ccccc2)C[C@H](Cn2c3ccccc3c3ccccc32)O1 8844673 CVJIQYDTWBMDGR-QGZVFWFLSA-N 420.490 3.411 0 40 HGAB COc1ccccc1-c1nnc(SCC(=O)Nc2ccc(F)cc2Cl)n1N 9451963 KSHBRYANFXQCHD-UHFFFAOYSA-N 407.858 3.191 0 40 HGAB O=C(NCCc1ccc2c(c1)OCCO2)c1ccc(Cl)cc1N1CCCC1=O 9516354 BPXFGEHPXQRSGW-UHFFFAOYSA-N 400.862 3.211 0 40 HGAB CC(=O)c1cccc(NC(=O)CSc2nnc(-c3cccnc3)n2-n2cccc2)c1 9707803 QQFAPPLAHWFYQG-UHFFFAOYSA-N 418.482 3.386 0 40 HGAB CC(=O)Nc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)cc1 9987496 APWSSHBVEOBDGB-UHFFFAOYSA-N 421.906 3.335 0 40 HGAB C[C@H]1CCc2[nH]c3ccc(C(=O)NCc4ccc(CS(N)(=O)=O)cc4)cc3c2C1 10705825 PVRYLOZWYZOTIF-AWEZNQCLSA-N 411.527 3.011 0 40 HGAB CCOc1ccc(Nc2ncccc2C(=O)NCCc2nnc3ccccn23)cc1 11547270 DCEKOHDKRPSKJG-UHFFFAOYSA-N 402.458 3.239 0 40 HGAB COc1ccc(-c2nc3n(c2NC(C)(C)C)CCN(C(=O)c2cn(C)nc2C)C3)cc1 12116236 QXEDSGXFIGDQPP-UHFFFAOYSA-N 422.533 3.467 0 40 HGAB COc1cccc([C@@]2(O)CC[C@@H]3CN(Cc4cc(OC)c(OC)cc4OC)C[C@@H]32)c1 12124487 CNAGUIWEWCFMHD-NKNQFRNOSA-N 413.514 3.451 0 40 HGAB Cc1ccc(-c2nnn(CC(=O)N[C@@H](C)c3nc4ccccc4n3C(F)F)n2)cc1 12544614 DKWHZRFPPXWQKJ-ZDUSSCGKSA-N 411.416 3.271 0 40 HGAB CSc1ccc(N2C[C@H](C(=O)Nc3cc(S(C)(=O)=O)ccc3C)CC2=O)cc1 12746888 WJYYDPBKQKSROM-CQSZACIVSA-N 418.540 3.112 0 40 HGAB CS(=O)(=O)N(CC(=O)N1CCCc2ccccc21)c1ccc(Br)cc1 13673807 VAWCKKLXIZRZAI-UHFFFAOYSA-N 423.332 3.195 0 40 HGAB Cc1cc(C)c(NC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c(C)c1 14426550 NZSSCODBGJLYEZ-UHFFFAOYSA-N 416.543 3.204 0 40 HGAB COc1ccccc1Nc1nc(N)nc(CSc2nc(-c3ccccc3F)n[nH]2)n1 16683385 RMOWHWOSZYLUPV-UHFFFAOYSA-N 424.465 3.423 0 40 HGAB Cc1cc(C(F)(F)F)nc(-n2nc(-c3cnn(C)c3C)cc2-c2cnn(C)c2C)n1 17090544 IIVZQPARKYLBIN-UHFFFAOYSA-N 416.411 3.407 0 40 HGAB COc1ccc(-c2ccc(C[C@]3(C(N)=O)CCCN(C(=O)[C@H]4CCCO4)C3)cc2)cc1 19558217 GHEACVKCPGDPAK-RCZVLFRGSA-N 422.525 3.178 0 40 HGAB COc1ccc([C@H]2CN(Cc3ccccc3)C[C@@H]2NC(=O)c2cccnc2)cc1OC 19561454 QYKGLFGXTAEHLU-YADHBBJMSA-N 417.509 3.497 0 40 HGAB Cc1c(C(=O)NCCS(=O)(=O)c2ccc(F)cc2)n(C)c2ccc(Cl)cc12 19659562 XRJJZNXIJKMLOC-UHFFFAOYSA-N 408.882 3.483 0 40 HGAB CC(=O)N[C@H]1C[C@@H](CCNC(=O)c2sc(C)nc2C)O[C@@H](c2ccccc2)C1 19712441 VHMYWXDAUKQOTG-IPMKNSEASA-N 401.532 3.305 0 40 HGAB Cc1cc(NC(=O)c2cccn(CC(=O)N[C@H](C)c3ccc(C(C)C)cc3)c2=O)no1 19750708 NKYQGOIKWQOJPZ-MRXNPFEDSA-N 422.485 3.398 0 40 HGAB Cc1cccnc1CNC(=O)c1ccc([C@@H]2CCCN(Cc3ccccn3)C2)nc1 19752752 JUKNPXLTVGMJJA-HXUWFJFHSA-N 401.514 3.490 0 40 HGAB C/C(=C\c1ccccc1)CN1CCC(c2ccc(C(=O)N3CCOCC3)c(N)n2)CC1 19765926 YORPFGPSLSBVDB-HTXNQAPBSA-N 420.557 3.419 0 40 HGAB CCOc1cc(CN2CCN(C(=O)c3cc(OC)cc(OC)c3)CC2)ccc1OC 19889391 YXQNPJMBCJHHBS-UHFFFAOYSA-N 414.502 3.069 0 40 HGAB COc1cc2c(cc1OC)N(C)S(=O)(=O)C(C(=O)NCCC1=CCCCC1)=C2C 20063970 ROKJSSOHMSDJKG-UHFFFAOYSA-N 420.531 3.221 0 40 HGAB COc1ccccc1CN(C)C(=O)[C@H](C)N(c1cc(C)ccc1C)S(C)(=O)=O 20105124 KSXFHKMFZRHREZ-KRWDZBQOSA-N 404.532 3.125 0 40 HGAB O=C(CN1CCN(Cc2nc(-c3ccccc3)no2)CC1)Nc1ccccc1Cl 20805382 IHIJVKOJKPRKDR-UHFFFAOYSA-N 411.893 3.146 0 40 HGAB CC(C)CNC(=O)CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1 21273755 LRCAQAMJBZICQH-UHFFFAOYSA-N 412.914 3.442 0 40 HGAB Cc1nc(COc2ccccc2C(=O)Nc2ccc(C(=O)c3nccn3C)cc2)no1 21444334 CTZWWTHPJZEYKE-UHFFFAOYSA-N 417.425 3.174 0 40 HGAB COc1ccccc1N1C(SCc2cccc(C)c2)=N[C@@H]2CS(=O)(=O)C[C@@H]21 32641192 BYVCEZHBDDIXTF-AEFFLSMTSA-N 402.541 3.279 0 40 HGAB O=C(Nc1cccc(CNC(=O)[C@@H]2CCCN(C(=O)Cc3ccccc3)C2)c1)C1CC1 32816431 PSPVYRZGKBBXNN-OAQYLSRUSA-N 419.525 3.133 0 40 HGAB Cc1ccc(-c2nn3c(c2C)N=C(O)C[C@H]3C(=O)Nc2ccc(C(N)=O)cc2)cc1 35684974 QNWFNKGIJPXZJR-KRWDZBQOSA-N 403.442 3.437 0 40 HGAB Cn1cc(CC(=O)N2CCN(C(=O)[C@H]3C[C@@H]3c3ccc(F)cc3)CC2)c2ccccc21 38729754 JUGDKBMEEAOFIG-YADHBBJMSA-N 419.500 3.334 0 40 HGAB C[C@@H](NC(=O)OCc1ccccc1)C(=O)NC[C@@H](c1ccccc1Cl)N(C)C 39976130 WOCMOECVIBGTKX-BEFAXECRSA-N 403.910 3.374 0 40 HGAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)NCc1ccccc1OC(F)F 40098435 SGDYOASVDIPYSR-UHFFFAOYSA-N 413.446 3.168 0 40 HGAB Cc1cccc(C)c1OCCNC(=O)CCn1c(S)nnc1-c1cccs1 40113835 CLXMEMWNLNZAKA-UHFFFAOYSA-N 402.545 3.497 0 40 HGAB COCCN(C(=O)C1=NN(Cc2ccccc2)C(=O)CC1)c1nc2ccccc2s1 40132743 ZRZNZTODYTWZQR-UHFFFAOYSA-N 422.510 3.454 0 40 HGAB C[C@@]12CSCC(=O)N1[C@H](C(=O)Nc1ccc3c(c1)OC1(CCCCC1)O3)CS2 40146587 CNGCCMOEFKXAHN-IFXJQAMLSA-N 420.556 3.464 0 40 HGAB Cc1ccc(-c2csc3c(=O)[nH]c(N4CCC[C@@H](C(=O)NC5CC5)C4)nc23)cc1 49421255 VXBUSMAMGFHAST-OAHLLOKOSA-N 408.527 3.455 0 40 HGAB O=C(COc1ccccc1)NC[C@H](c1ccco1)N1CCN(c2ccccc2F)CC1 56945736 RAESDTULQDNSBP-JOCHJYFZSA-N 423.488 3.477 0 40 HGAB C[C@H](NCc1ccccc1CN1CCCCC1)C(=O)N1CC(=O)Nc2ccccc21 57273611 UIPWPTLDCAHDFO-SFHVURJKSA-N 406.530 3.136 0 40 HGAB CSc1ccccc1NC(=O)[C@H]1CCN(S(C)(=O)=O)c2cc(C)ccc2O1 64988675 WMPGEHQAQLCIFC-QGZVFWFLSA-N 406.529 3.273 0 40 HGAB Cn1nc(C2CCN(C(=O)Nc3ccc(C(F)(F)F)cc3)CC2)n(C2CC2)c1=O 77148925 YHBDEOJNQJIUSN-UHFFFAOYSA-N 409.412 3.347 0 40 HGAB COc1ccc(CNC(=O)Cc2c(C)nc3c4ccccc4nn3c2C)cc1OC 79479249 NWHAMIVFYSXLCS-UHFFFAOYSA-N 404.470 3.375 0 40 HGAB C[C@H]1[C@@H](C)N(S(=O)(=O)c2cnc(Cl)c(Cl)c2)CCN1C(=O)OC(C)(C)C 95988848 MFMGFFGFQJSVJL-WDEREUQCSA-N 424.350 3.407 0 40 HGAB CCCCS(=O)(=O)N1CCC[C@]2(CC(C(=O)Nc3cccc(Cl)c3)=NO2)C1 96074482 QIZHZPPNGTUALJ-SFHVURJKSA-N 413.927 3.019 0 40 HGAB O=C(c1ccc(OC(F)(F)F)cc1)N1CCC(S(=O)(=O)Cc2ccco2)CC1 96374876 JOXMGRPEKMFDPO-UHFFFAOYSA-N 417.405 3.398 0 40 HGAB Cc1cccc(N(C)S(=O)(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)c1C 97103009 PIGSMWKWSXSHGO-UHFFFAOYSA-N 407.435 3.422 0 40 HGAB Cc1ccccc1N1C(=O)C[C@@H](c2c(C)nn(-c3nc4ccccc4[nH]3)c2O)C1=O 100069107 SPLHAQVKRFZTEL-AWEZNQCLSA-N 401.426 3.118 0 40 HGAB CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)N1CCN(c3cccc(Cl)c3)CC1)C(=O)C2 101288783 VFVJBXOIGABCAW-MGPUTAFESA-N 410.967 3.187 0 40 HGAB COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCCC(C)C)cc2)cc1 107965164 ZLMVJZGTEKQBQY-UHFFFAOYSA-N 406.504 3.037 0 40 HGAB CS(=O)(=O)N1CCC(C(=O)N2CCS[C@H](c3ccccc3Cl)CC2)CC1 206993330 AUMDCDSCYFOEEI-KRWDZBQOSA-N 416.996 3.018 0 40 HGAB COc1cccc(CCCNC(=O)CCCN(c2cccc(C)c2)S(C)(=O)=O)c1 219619142 LNNMRSKITBULPF-UHFFFAOYSA-N 418.559 3.299 0 40 HGAB C[C@H](C(=O)N[C@H]1CC(C)(C)Oc2ccccc21)N(c1ccccc1F)S(C)(=O)=O 220317372 AIVPLJCXBJUHGE-PBHICJAKSA-N 420.506 3.399 0 40 HGAB CC[C@H](C(=O)N[C@@H](C)c1ccc(C)cc1)N(c1ccc(OC)cc1)S(C)(=O)=O 220657354 VPMQEQHVXREGBT-OXJNMPFZSA-N 404.532 3.426 0 40 HGAB Cc1ccccc1N(CCCC(=O)NCCSc1ccccc1)S(C)(=O)=O 222551402 KQYZJJRMAYRQHG-UHFFFAOYSA-N 406.573 3.450 0 40 HGAB CC[C@H](C(=O)NCCOc1ccc(C)c(C)c1)N(c1ccc(C)cc1)S(C)(=O)=O 224305141 JRRQETIZQQPWIM-OAQYLSRUSA-N 418.559 3.352 0 40 HGAB CCOCc1cc(C(=O)Nc2cc(OC)c(OC)cc2C(=O)OC)ccc1OC 224408943 SJYRCHPUSKTMPF-UHFFFAOYSA-N 403.431 3.288 0 40 HGAB CC(C)CNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)COc1ccccc1F 224514301 YSCFELIOAATWSZ-GOSISDBHSA-N 400.494 3.437 0 40 HGAB CCSc1nnc(NC(=O)c2ccc(C)c(N3CCCCS3(=O)=O)c2)s1 225418035 JZMCBBCODMJKOI-UHFFFAOYSA-N 412.562 3.141 0 40 HGAB CCOC(=O)c1ccc(NC(=O)C[C@@H](NS(C)(=O)=O)c2ccc(Cl)cc2)cc1 225951713 FKHMCBUTIWQXLP-QGZVFWFLSA-N 424.906 3.136 0 40 HGAB CCc1ncnc(O[C@@H]2CCN(C(=O)CCC(=O)c3ccc(Cl)cc3)C2)c1F 253472333 LKMURFHFDFYHDS-OAHLLOKOSA-N 405.857 3.474 0 40 HGAB C[C@]1(C2CCN(Cc3ccccc3C(=O)O)CC2)CN(Cc2ccccc2)C(=O)CO1 257277072 NWICOYCMVVVBCW-RUZDIDTESA-N 422.525 3.415 0 40 HGAB COc1cc(C(=O)N(C)CC(=O)O)cc2c1O[C@](C)(Cc1ccc(Cl)cc1)C2 257296001 RAUNLANGFQLIQR-OAQYLSRUSA-N 403.862 3.442 0 40 HGAB O=C(CNC(=O)C(=O)Nc1cc(Cl)cc(Cl)c1)Nc1cccc(Cl)c1 408550189 AZWVDLYTRAUFDD-UHFFFAOYSA-N 400.649 3.340 0 40 HGAB CCOC(=O)c1ccc(NC(=O)CNC(=O)c2ccc(COc3ccccc3)o2)cc1 408563425 VTQNREFDZMSAAE-UHFFFAOYSA-N 422.437 3.404 0 40 HGAB Cc1ccc(S(=O)(=O)Nc2ccc(C(C)C)cc2)cc1C(=O)N1CCOCC1 408608584 RMDAHYKHXXGCRD-UHFFFAOYSA-N 402.516 3.392 0 40 HGAB CCNC(=O)CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 409006219 ZBIZHHQLBNQUJG-UHFFFAOYSA-N 401.315 3.320 0 40 HGAB CCCNC(=O)[C@@H]1CC(=O)N(c2ccc(OCC(=O)Nc3ccccc3CC)cc2)C1 409138433 BRZNDYHHEQXAME-GOSISDBHSA-N 423.513 3.146 0 40 HGAB O=C(O)C[C@@H]1CCN(C(=O)c2ccc(Cl)cc2)C[C@@H]1Cc1nc2cnccc2[nH]1 514289453 USKAVXUPYSUVIR-GJZGRUSLSA-N 412.877 3.407 0 40 HGAB biogenic,in-vitro Cc1nc(/C=C/C(=O)N2CCC[C@H](Cc3ccc(Nc4ccccn4)nn3)C2)cs1 585291862 UMYJRQQGWLFTPE-SYJIQKIWSA-N 420.542 3.875 0 40 HGAB O=S(=O)(N[C@@H]1CCN(Cc2ccsc2)C1)c1ccc(Br)s1 1775969737 IWOJYKFSCAXIMO-LLVKDONJSA-N 407.380 3.125 0 40 HGAB Cn1c(Sc2ncc(C(F)(F)F)cc2Cl)nnc1C(C)(C)n1cncn1 1400172 ZTZISVRGNFMUFS-UHFFFAOYSA-N 403.821 3.408 0 40 HGAB COc1ccc(N2C3=[N+](CCOC3)C[C@@]2(O)c2ccc(-c3ccccc3)cc2)cc1 1779545 UAJOZKOGEGOUJI-RUZDIDTESA-N 401.486 3.469 0 40 HGAB COC(=O)c1ccccc1NC(=O)COc1cc(C)cc2oc(=O)c3c(c12)CCC3 2147075 OPMMIMYEVIHMTK-UHFFFAOYSA-N 407.422 3.394 0 40 HGAB biogenic CC(=O)c1cc(Br)ccc1OCC(=O)N1CCN(c2ccccc2)CC1 2626758 YMPBXNMIYJONLH-UHFFFAOYSA-N 417.303 3.379 0 40 HGAB CN(c1ccc(OCC(=O)NCc2ccccc2)cc1)S(=O)(=O)c1ccccc1 2633520 XZFJYQVDAHLPIU-UHFFFAOYSA-N 410.495 3.207 0 40 HGAB CNc1sc(S(=O)(=O)c2ccc(C)cc2)nc1S(=O)(=O)c1ccc(C)cc1 2709076 JIXFXIGOKSYZFR-UHFFFAOYSA-N 422.553 3.467 0 40 HGAB COc1ccc(C(=O)Nn2c(-c3ccccc3)nc3ccccc3c2=O)cc1OC 3154365 MNJRWKLULMVRGU-UHFFFAOYSA-N 401.422 3.465 0 40 HGAB CCOC(=O)c1ccc(S(=O)(=O)N[C@H](CC(=O)O)c2ccccc2Cl)cc1 3285253 RRPHWCFWBWPEBC-MRXNPFEDSA-N 411.863 3.011 0 40 HGAB CCCOc1ccc(CN(C(=O)c2ccc(F)cc2)[C@H]2CCS(=O)(=O)C2)cc1 4186455 VFKUFSKSTRIKNC-IBGZPJMESA-N 405.491 3.444 0 40 HGAB C[C@H](CNC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)OC12CC3CC(CC(C3)C1)C2 4687152 WXRKJXBTAVRQIP-NOCBQHASSA-N 420.575 3.041 0 40 HGAB COc1ccc(-c2noc(CNC(=O)[C@@H](C)Oc3cccc(Cl)c3)n2)cc1OC 4943833 RNCFKYOFENDTBH-GFCCVEGCSA-N 417.849 3.491 0 40 HGAB C[C@H](NC(=O)c1ccccc1)c1nc2ccccc2n1CC(=O)NCc1ccco1 5267614 WHSCLMZSQQDDEP-INIZCTEOSA-N 402.454 3.437 0 40 HGAB COc1ccc([C@H]2c3c(oc4cc(OC)ccc4c3=O)C(=O)N2CCCN(C)C)cc1 5345588 WNRFZXMNQLNTBW-NRFANRHFSA-N 422.481 3.307 0 40 HGAB COc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCCN(C)C)[C@H]3c1ccccc1OC 5347731 BEZTYGHJXAEXDE-NRFANRHFSA-N 422.481 3.307 0 40 HGAB CCCc1cc(C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)sc1C 6266544 OFQJZOSGVCBWDU-UHFFFAOYSA-N 408.545 3.282 0 40 HGAB CC(C)c1ccc(NC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 6372548 CTUXEVVLMXXMJR-UHFFFAOYSA-N 416.543 3.402 0 40 HGAB C[C@H](O)CNc1nc2ccccc2n1CC(=O)Nc1ccc(OC(F)(F)F)cc1 6590580 MGTJQDTUDTXTHA-LBPRGKRZSA-N 408.380 3.366 0 40 HGAB Cc1nc2ccccc2n1CCc1nc2c3ccccc3nc(N3CCOCC3)n2n1 6739399 IVJGJWFFQMCNFB-UHFFFAOYSA-N 413.485 3.015 0 40 HGAB CC(C)CC(=O)NC(=S)Nc1ccc(N2CCN(C(=O)C(C)(C)C)CC2)cc1 7387254 ADCDWCPCJNIRGY-UHFFFAOYSA-N 404.580 3.240 0 40 HGAB Cc1cc(=O)c(C(=O)Nc2cccc(N3CCCC3=O)c2)nn1-c1ccccc1F 7491986 WWLXQXPGDFIYID-UHFFFAOYSA-N 406.417 3.059 0 40 HGAB Cc1nn(-c2ccccc2)c(C)c1CC(=O)O[C@H](C)C(=O)Nc1ccc2c(c1)OCO2 7531602 YJFFPNDONNYUKX-MRXNPFEDSA-N 421.453 3.331 0 40 HGAB C[C@H]1CN(C(=O)CSc2nnc(-c3c[nH]c4ccccc34)n2C2CC2)C[C@H](C)O1 7789876 CBTLWJAWZHXEIU-KBPBESRZSA-N 411.531 3.489 0 40 HGAB C[C@H](NCC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccco1 7802973 OFHDIOZWNBMXMP-INIZCTEOSA-N 405.520 3.134 0 40 HGAB O=C(/C=C/c1cccs1)OCC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 7984238 QUBLJDGNVDAYAZ-DHZHZOJOSA-N 419.524 3.362 0 40 HGAB Cc1ccc(S(=O)(=O)NCCC(=O)Nc2ccc(Br)c(C)c2)cc1 8034404 NMFZTWHMHKUIPO-UHFFFAOYSA-N 411.321 3.373 0 40 HGAB Cc1cc(OCC(=O)OCC(=O)Nc2ccccc2N2CCOCC2)ccc1Cl 8192252 HYZPOUABCJTARE-UHFFFAOYSA-N 418.877 3.046 0 40 HGAB O=C(c1ccc(Cl)s1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 8315366 QKQMJDAUAWASFL-UHFFFAOYSA-N 405.328 3.202 0 40 HGAB COCCN(CC(=O)Nc1cccc(C)c1C)C(=O)c1ccc(-n2cccn2)cc1 8395442 MKGRGWRMEZLCIW-UHFFFAOYSA-N 406.486 3.216 0 40 HGAB Cc1cc(=O)n2c(n1)NC(N1CCC(Cc3ccccc3)CC1)=N[C@@H]2c1cccnc1 9264560 NAIHLQLVBJLREU-QFIPXVFZSA-N 414.513 3.230 0 40 HGAB CCN(C(=O)CSc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)c1ccc(F)cc1 9377786 MGENMWNBXKRDMN-UHFFFAOYSA-N 423.473 3.393 0 40 HGAB CN(C)S(=O)(=O)N(CC(=O)Nc1cccc(Cl)c1Cl)c1ccc(F)cc1 9694881 AGQFTGUXOXBUOZ-UHFFFAOYSA-N 420.293 3.384 0 40 HGAB COc1ccc(Nc2nc(Nc3cccc(OC)c3)nc(N3CCOCC3)n2)cc1 9708911 DWMTVAYBFMIDRG-UHFFFAOYSA-N 408.462 3.213 0 40 HGAB CCC1(CC)NC(=O)N(CC(=O)N2CCC[C@H]2c2nc3ccccc3s2)C1=O 9867775 VAWZZLJTPBYBLH-AWEZNQCLSA-N 400.504 3.070 0 40 HGAB CC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)/C=C/c2ccc(OC)c(OC)c2)cc1 10041969 FSQGPIKWAIREBD-MYWXAZLQSA-N 418.515 3.433 0 40 HGAB COc1ccc(C(=O)N2C[C@H]3CCCN(Cc4ccc(NC(C)=O)cc4)[C@H]3C2)cc1 12188412 LKOMKZAAMPLMBG-OFNKIYASSA-N 407.514 3.390 0 40 HGAB NC(=O)c1cc(-c2ccccc2)sc1NC(=O)CCS(=O)(=O)c1ccccc1 12232679 JHKRNQFIPKUNQO-UHFFFAOYSA-N 414.508 3.317 0 40 HGAB COC(=O)c1ccc2c(=O)n(CCCC(=O)NC3CCCCCC3)c(=S)[nH]c2c1 12416141 GSCQRAGNNCRZBH-UHFFFAOYSA-N 417.531 3.465 0 40 HGAB Cc1cccc(NS(=O)(=O)c2ccc(C(=O)N3C[C@H](C)O[C@H](C)C3)cc2)c1C 12521162 FPRQSKDUOBBMFC-IYBDPMFKSA-N 402.516 3.354 0 40 HGAB COc1cc([C@H]2NC(N)=Nc3nc4ccccc4n32)ccc1OCc1c(C)noc1C 12525587 BEFFKADYEVKAFE-FQEVSTJZSA-N 418.457 3.325 0 40 HGAB CCOc1ccc(NC(=O)C2C3CC4CC(C3)CC2C4)cc1S(=O)(=O)N(C)C 12766086 ZHQYNQTWFCRQJU-UHFFFAOYSA-N 406.548 3.346 0 40 HGAB CCc1ccc(-c2nc(C(=O)OCC(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)cs2)cc1 13028877 HRHPQCAXKRBMAD-UHFFFAOYSA-N 422.466 3.338 0 40 HGAB Cc1cccc(CCCNC(=O)CN(c2ccc(F)c(Cl)c2)S(C)(=O)=O)c1 13646810 XUPLJYBHBXGIJM-UHFFFAOYSA-N 412.914 3.303 0 40 HGAB CCOC(=O)c1ccc(NC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)c(C)c1 13649164 JUZNAPAYLCIONJ-UHFFFAOYSA-N 424.906 3.230 0 40 HGAB COC(=O)c1ccc(Cl)c(NC(=O)CN(c2ccc(C)c(C)c2)S(C)(=O)=O)c1 14412038 FHJSSGNQJFSUCJ-UHFFFAOYSA-N 424.906 3.148 0 40 HGAB COc1nc(Nc2ccc(Cl)cc2)nc(N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)n1 15319083 ZLGVGHFJOUEABE-KGLIPLIRSA-N 424.892 3.063 0 40 HGAB Cc1ccc(S(=O)(=O)NCCc2csc3nc(-c4cccc(F)c4)nn23)cc1 15783963 GHEMCCQVLPUPOO-UHFFFAOYSA-N 416.503 3.426 0 40 HGAB CCNC(=O)[C@]1(Cc2cccc(-c3cccs3)c2)CCN(C(=O)c2ccn(C)n2)C1 19529075 PIZQBDIOGUTQRP-QHCPKHFHSA-N 422.554 3.360 0 40 HGAB CNc1cc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cc[nH]n2)nc(C2CC2)n1 19592113 PMZALDMBSIUEOA-GOSISDBHSA-N 401.474 3.314 0 40 HGAB Cc1nc(CN(C)C(=O)c2cc3ccccc3o2)nc2c1CCC(=O)N2CC1CC1 19698066 ABHSIKMYYRGNSP-UHFFFAOYSA-N 404.470 3.493 0 40 HGAB COc1ccc(C)cc1N1C[C@H](C(=O)NCCc2nc3cc(C)c(C)cc3[nH]2)CC1=O 19715170 HSRSIMLVAINRRI-QGZVFWFLSA-N 420.513 3.209 0 40 HGAB COc1cc(CNc2nnnn2C)cc(Br)c1OCc1ccccc1 22111999 NPNAXHHESSFHGJ-UHFFFAOYSA-N 404.268 3.172 0 40 HGAB COc1cccc(CCCNC(=O)CN(c2cc(Cl)ccc2C)S(C)(=O)=O)c1 22336881 IFSZCTFOMMNOAE-UHFFFAOYSA-N 424.950 3.172 0 40 HGAB Cc1ccc(CNC(=O)CN2CCN(Cc3nc(-c4ccco4)cs3)CC2)cc1 22630857 VUKIEHZXKQPURV-UHFFFAOYSA-N 410.543 3.146 0 40 HGAB COc1cc(/C=C/C(=O)N2CCN(Cc3ccncc3)CC2)ccc1OC(F)F 23800831 SPXUWDGFTZKFMQ-HWKANZROSA-N 403.429 3.049 0 40 HGAB CNS(=O)(=O)c1cccc(C(=O)N2CCc3sccc3[C@@H]2c2ccccc2)c1 25896773 VFXDYGQMRUPIDS-FQEVSTJZSA-N 412.536 3.444 0 40 HGAB O=C(CSc1ccc2ccccc2n1)NCc1ccccc1CN1CCOCC1 26847416 QJWQBRJCXSGQLT-UHFFFAOYSA-N 407.539 3.476 0 40 HGAB CC(=O)c1cccc(N2C(SCc3ccc(F)cc3)=N[C@@H]3CS(=O)(=O)C[C@@H]32)c1 32639944 YOTXVGJLEHRKLA-MOPGFXCFSA-N 418.515 3.303 0 40 HGAB CC(C)c1ccc(OCC(=O)N(C)CC(=O)N2c3ccccc3NC(=O)C[C@H]2C)cc1 32859835 CGJSACNQSADZBV-QGZVFWFLSA-N 423.513 3.411 0 40 HGAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)N1CCN(S(=O)(=O)c2cccs2)CC1 34800905 ZNIJFPTVZMWMMU-OAHLLOKOSA-N 417.556 3.116 0 40 HGAB COCCOc1ccnc(-c2noc([C@@H]3CCCN3Cc3ccc(C(=O)O)cc3)n2)c1 35425052 HLRFSIXRGRRFFO-IBGZPJMESA-N 424.457 3.192 0 40 HGAB biogenic,in-vitro O=C(Nc1ccc2c([C@@H](C(=O)O)N3CCC[C@H](C(=O)O)C3)c[nH]c2c1)c1ccccc1 36360519 JKKRBOBZGKWIHX-YWZLYKJASA-N 421.453 3.343 0 40 HGAB Cc1cc(C)n(C[C@@H](C)CNS(=O)(=O)c2cc(C(=O)O)c(Cl)cc2Cl)n1 36614979 MCKITASBORUIHL-VIFPVBQESA-N 420.318 3.120 0 40 HGAB COc1nn(C)cc1C(=O)N(CCCN(C)C)c1nc2ccc(Cl)cc2s1 36645187 YVDYWMHYWFSOND-UHFFFAOYSA-N 407.927 3.290 0 40 HGAB Cc1cc(=O)n2c(n1)SC[C@H]2CC(=O)NCc1cc(-c2ccc(Cl)cc2)on1 38752975 GDHJXOSMMYQJPJ-OAHLLOKOSA-N 416.890 3.213 0 40 HGAB COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)[C@H](C)Oc1cccc(C)c1 44904716 JQTYGRAKDFSBSZ-HNNXBMFYSA-N 406.504 3.096 0 40 HGAB COc1ccc([C@@H]2CCCN2CN2C(=O)NC3(CCC(C)CC3)C2=O)c(OC)c1 58173688 JEIWHUQEVQSMLO-TUAABQIMSA-N 401.507 3.299 0 40 HGAB CC(=O)N1CCC(C(=O)N2CCCC[C@@H]2c2nc(N)ncc2-c2ccccc2)CC1 72377157 WZLYWKCSSQRVTK-HXUWFJFHSA-N 407.518 3.038 0 40 HGAB CC(C)(C)CC(=O)N1CCO[C@](Cc2ccc(-c3cccs3)cc2)(C(N)=O)C1 72389212 BHEWYMCTJFEKPR-QFIPXVFZSA-N 400.544 3.477 0 40 HGAB COc1ccc(Br)c(C(=O)NCC2CCN(C(=O)c3ccoc3)CC2)c1 77099715 BGNQMCMHYMAUOC-UHFFFAOYSA-N 421.291 3.333 0 40 HGAB COCCn1nc([C@H]2CCCN(C(=O)Nc3cccc(Cl)c3)C2)n(C2CC2)c1=O 77151128 LNEAPBMARIVMIH-AWEZNQCLSA-N 419.913 3.091 0 40 HGAB CC(C)C(=O)N[C@@H]1CCCN(Cc2cc3c(cc2Br)OCCCO3)C1 95464593 DFHMQFBMYVFRRG-OAHLLOKOSA-N 411.340 3.347 0 40 HGAB COc1ccc(Cl)cc1N1C(=O)[C@H]2[C@H](C1=O)[C@H]1c3ccccc3C=CN1[C@@H]2C(C)=O 95482913 ULBVRRNILONBHC-UWHLTILDSA-N 422.868 3.453 0 40 HGAB Cc1nc2ccccc2n(CCNS(=O)(=O)c2ccccc2-c2ccccc2)c1=O 95943753 VMUDLRQZYJDKCW-UHFFFAOYSA-N 419.506 3.350 0 40 HGAB CNS(=O)(=O)c1ccc(Nc2nc(C(F)(F)F)nc3ccc(F)cc23)cc1 95948797 ROKKKXOEHDPBIU-UHFFFAOYSA-N 400.357 3.439 0 40 HGAB COc1ccc2c3c1O[C@H]1[C@]34CCN(C)[C@H](C2)[C@@]42C=C[C@@]1(OC)[C@@](C)(C(C)(C)O)C2 100393835 AKBVQTSSRCUQMV-WRHSVXRHSA-N 411.542 3.077 0 40 HGAB biogenic,in-vitro COc1ccccc1-c1cc(C(F)(F)F)nc(S[C@@H]2CC(=O)[C@@H]3OC[C@@H]2O3)n1 101072196 PZMORQKSAZIXSI-SQWLQELKSA-N 412.389 3.346 0 40 HGAB Cc1ccccc1-c1noc(CN2N=N[C@@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@@H]32)n1 101262288 JQTMNOFDAHXYPY-DLBZAZTESA-N 422.832 3.192 0 40 HGAB O=C(CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)Nc1nc(-c2ccc(Cl)cc2)cs1 102304124 HTFHQTUPSLHKLG-KBPBESRZSA-N 401.875 3.353 0 40 HGAB C[C@@H]1[C@H]2CC[C@]3(O)[C@@H](C[C@H]4[C@H]3C[C@H](O)[C@H]3C[C@@H](O)CC[C@@]34C)[C@@H]2CN2CCCC[C@@H]12 103565464 LENMDDFRAPDCRB-LHSSOLKLSA-N 417.634 3.432 0 40 HGAB COCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1cccc(C(=O)O)c1 223022833 VYYIHEKARVCQKW-WOJBJXKFSA-N 422.510 3.189 0 40 HGAB COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1Cc1ccco1 223684024 CDHISNCSQCJTMV-VQTJNVASSA-N 410.499 3.060 0 40 HGAB COc1ccc(OCC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NC(C)C)cc1 225574694 RNQLUXWVHWGYLI-MRXNPFEDSA-N 402.466 3.155 0 40 HGAB COC(=O)c1cccc(NC(=S)NCc2ccc(CN3CCCC3=O)cc2)c1C 225649128 UJRJUJHCNXWZBL-UHFFFAOYSA-N 411.527 3.391 0 40 HGAB C[C@@H]1Cc2cc(Br)ccc2N1C(=O)CCN1C(=O)c2ccccc2C1=O 225874732 HOZYDGBVLMKOPE-GFCCVEGCSA-N 413.271 3.413 0 40 HGAB Cc1cc(S(=O)(=O)NC[C@H](O)c2ccc3c(c2)OCCO3)c(Cl)cc1Cl 240068004 SHCGYFFNWCOESO-AWEZNQCLSA-N 418.298 3.085 0 40 HGAB Cc1nccn1-c1cccc([C@H]2CCCN2C(=O)c2ccc(OCCN(C)C)cc2)n1 257251744 JSBCNQOAAPTHGD-JOCHJYFZSA-N 419.529 3.493 0 40 HGAB CCNC(=O)Cc1c(C)nc([C@H]2CCCN(C(=O)CCc3ccccc3)C2)nc1C 257253218 JYAANCRNQUGGJF-FQEVSTJZSA-N 408.546 3.111 0 40 HGAB C[C@H](Oc1ccc(F)cc1)C(=O)N1CCC(c2cncc(Nc3ncccn3)n2)CC1 257307580 SZHMHXOWSPTKGW-HNNXBMFYSA-N 422.464 3.323 0 40 HGAB Cc1ncsc1CN1C[C@@H]2[C@@H](C1)c1cc(-c3ccc(F)nc3)ccc1S2(=O)=O 306138306 RURADFDVMUUQFP-QFBILLFUSA-N 415.515 3.408 0 40 HGAB CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)cc1 408598318 ZBSILESPHAMIBB-JTQLQIEISA-N 403.287 3.308 0 40 HGAB O=C(N[C@H]1CCN(c2ccccn2)C1)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 542409564 TXHPQQRHLSDXOU-MOPGFXCFSA-N 423.565 3.415 0 40 HGAB COC(=O)c1ccc(OC)c(S(=O)(=O)NCc2ccc(-c3cccs3)o2)c1 575608036 IARFFKMFJJGJIE-UHFFFAOYSA-N 407.469 3.282 0 40 HGAB C[C@H](Oc1ccc2c(c1)OCO2)C(=O)N1Cc2ccccc2[C@H](c2cnn(C)c2)C1 575621282 ZZMJDZBUWHCLAQ-YWZLYKJASA-N 405.454 3.090 0 40 HGAB CN(C(=O)c1ccc(OCCN2CCCC2)cc1)[C@@H]1CC[C@@H](Oc2ccccc2)[C@@H]1O 585261654 CUUQZAHYWPOZNQ-WXFUMESZSA-N 424.541 3.204 0 40 HGAB O=C1C[C@@H](c2ccc(Br)cc2)c2c(O)nc(N3CCCCC3)nc2N1 585655761 FRNIYZGHAWNOGX-ZDUSSCGKSA-N 403.280 3.409 0 40 HGAB O=C(c1ccncc1)N1CCN(Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)CC1 643550863 QCVTVDYQSHNQLD-UHFFFAOYSA-N 417.391 3.108 0 40 HGAB O=C(CNC(=O)NCc1ccc(Cl)cc1)NCc1ccc(N=c2cc[nH]cc2)cc1 1630690759 OFIJBFQOVHASIU-UHFFFAOYSA-N 423.904 3.016 0 40 HGAB FC(F)(F)c1nnc(CN2CC[C@H](COc3ccc(-c4ccccc4)nn3)C2)o1 1888897556 UYUXPJKOGKDRLT-ZDUSSCGKSA-N 405.380 3.446 0 40 HGAB Cc1nc(C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)cc(C(F)(F)F)n1 1888899238 RCJODEDOVZCDSI-UHFFFAOYSA-N 416.406 3.069 0 40 HGAB Cc1nn(C)cc1CN(C)C(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccco1)N2 675125 ZQWJVORHZYNRME-XJKSGUPXSA-N 422.411 3.451 0 40 HGAB Cc1cccc2cc([C@@H](c3nnnn3Cc3ccc(F)cc3)N3CCCC3)c(=O)[nH]c12 909448 CROFLWJNJBTWEG-NRFANRHFSA-N 418.476 3.196 0 40 HGAB COc1ccc(-n2ncc3c(SCC(=O)Nc4nc(C)cs4)ncnc32)cc1 1346653 KJUWNFQUPUMTCB-UHFFFAOYSA-N 412.500 3.320 0 40 HGAB O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccc(F)cc1Cl 3278474 OEGHDSGYLCIEAM-UHFFFAOYSA-N 406.826 3.322 0 40 HGAB O=C(CSc1ccccc1C(=O)NC[C@@H]1CCCO1)Nc1ccc2c(c1)OCO2 3417368 YTUXTOGVOXSZTM-HNNXBMFYSA-N 414.483 3.055 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)COc3cccc4ccccc34)CC2)cc1 3614134 VSGIFGDMUXGGHO-UHFFFAOYSA-N 424.522 3.060 0 40 HGAB COc1ccc2[nH]c(=O)c(CN(CCCO)C(=S)Nc3ccc(C)cc3)cc2c1 4127802 LKTZVIALKHTKSP-UHFFFAOYSA-N 411.527 3.427 0 40 HGAB COC(=O)c1c(NC(=O)c2ccc(OC(C)C)cc2)sc2c1CCN(C(C)=O)C2 4275160 WIOISWKMEVRASX-UHFFFAOYSA-N 416.499 3.479 0 40 HGAB CCOC(=O)c1ccc(CN2C(=O)S[C@H](Nc3ccc(C(=O)O)cc3)C2=O)cc1 4748472 STCPRZPASCDOCC-INIZCTEOSA-N 414.439 3.195 0 40 HGAB CCOC(=O)N1CCN(c2nc(-c3ccccc3OC)cc(C(F)(F)F)n2)CC1 4757738 KHRMKOISRSVFDQ-UHFFFAOYSA-N 410.396 3.450 0 40 HGAB O=C(CCC(=O)N(CC(=O)NC1CCCC1)c1ccc(F)cc1)Nc1nccs1 4848323 SLYXKUBYLACOKG-UHFFFAOYSA-N 418.494 3.093 0 40 HGAB O=S(=O)(c1ccc2c(c1)OCCO2)N1CCn2cccc2[C@@H]1c1ccc(F)cc1 4853919 YZFAYZKJCMVZPV-NRFANRHFSA-N 414.458 3.192 0 40 HGAB CN(CC(=O)OCC(=O)c1ccc(Br)cc1)C(=O)Oc1ccccc1 4905712 QRVPNCLKQBZIMW-UHFFFAOYSA-N 406.232 3.306 0 40 HGAB CSc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3C4)CC2)cc1 4986291 CRDJUNBIVMWBBZ-ZSZQSSIHSA-N 408.589 3.114 0 40 HGAB COC(=O)C1=C(CSc2ccc(OC)cc2)NC(=O)N[C@H]1c1ccc(OC)cc1 5018157 PPSBRWAYAUCMGI-IBGZPJMESA-N 414.483 3.277 0 40 HGAB CCCCn1c(COC(=O)c2sccc2C)nc2cc(S(N)(=O)=O)ccc21 5093340 MQQXLGKBZAHHCB-UHFFFAOYSA-N 407.517 3.211 0 40 HGAB COc1cc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2C[C@H]2CCCO2)ccc1O 5342756 LBNGANKQKIIDBA-PEBXRYMYSA-N 421.453 3.221 0 40 HGAB O=C(COc1ccc(-n2cnnn2)cc1)N(CCc1ccccc1)Cc1ccccc1 5459588 YQIXWMFLYMKGAJ-UHFFFAOYSA-N 413.481 3.313 0 40 HGAB Cc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccccc3OC(F)F)CC2=O)cc1 6081585 NHZCZGISJYRKQP-AWEZNQCLSA-N 418.396 3.131 0 40 HGAB O=C(COc1ccccc1C(=O)NCc1ccccc1)NCc1ccc2c(c1)OCO2 6462592 MPPZOZGFOCDGIN-UHFFFAOYSA-N 418.449 3.041 0 40 HGAB COC(=O)Cn1c(SCCCC(=O)c2ccc(F)cc2)nc2ccccc2c1=O 6549491 OGNDTBGVIWKCSR-UHFFFAOYSA-N 414.458 3.464 0 40 HGAB Cn1c(=O)n(CCCc2ccccc2)c(=O)c2c1nc1n2CCCN1C1CCCCC1 6785983 TYIRFWXUFSDCSK-UHFFFAOYSA-N 421.545 3.072 0 40 HGAB CCS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)N(C)Cc1ccc(Cl)cc1 6845204 IFBUDLQGUYPSIR-LJQANCHMSA-N 406.935 3.075 0 40 HGAB CCOCCCNC(=O)CCc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2)cc1 6957773 MKGIRCNSOVETBD-SFHVURJKSA-N 418.559 3.202 0 40 HGAB O=C([C@@H](Sc1nnnn1-c1cccc(Cl)c1)c1ccccc1)N1CCOCC1 7745556 VJUBPGTVHDSZNW-KRWDZBQOSA-N 415.906 3.008 0 40 HGAB Cc1ccccc1NC(=O)COC(=O)CCS(=O)(=O)c1ccc2ccccc2c1 7940031 CRNIOHQYATXWGI-UHFFFAOYSA-N 411.479 3.494 0 40 HGAB CCOC(=O)Cn1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)c2ccccc21 8396541 JGEPTHOLNAQNHL-YBFXNURJSA-N 421.428 3.436 0 40 HGAB COC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2Cl)c(F)c1 8810475 WDGNGMGEGIMBNH-LLVKDONJSA-N 400.859 3.045 0 40 HGAB C[C@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)C(=O)Nc1ccc(F)cc1 9377667 GOJQNDYDOLDGPD-LBPRGKRZSA-N 409.446 3.367 0 40 HGAB COc1ccccc1CNC(=O)[C@H]1CCCN(C(=O)Cc2c[nH]c3ccccc23)C1 9530831 IOAXJWNWVIQARF-SFHVURJKSA-N 405.498 3.274 0 40 HGAB COc1ccc(NC(=O)CSc2nnc3n2CCN3c2ccc(OC)cc2)cc1 9574030 XYCZGPYFZHZJKQ-UHFFFAOYSA-N 411.487 3.178 0 40 HGAB O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)NCCc1cnn(-c2ccccc2)c1 11532220 ZHCZJCJOFYIWMU-UHFFFAOYSA-N 417.296 3.268 0 40 HGAB Cc1nnnn1-c1ccc(CC(=O)N2CCCC[C@@H]2c2nc3ccccc3[nH]2)cc1 12116151 IGCXJFBVPAQUMH-HXUWFJFHSA-N 401.474 3.143 0 40 HGAB Cc1cccc(NC(=O)Cn2nc(C)c3cnn(-c4ccc(F)cc4)c3c2=O)c1C 12228234 INCYTNDNXQBIFR-UHFFFAOYSA-N 405.433 3.285 0 40 HGAB Cc1ccc(-n2ncc3c(C(C)C)nn(CC(=O)NC4CCCC4)c(=O)c32)cc1C 12229150 XEEDJRADDSMPRC-UHFFFAOYSA-N 407.518 3.381 0 40 HGAB Cc1ccc(NC(=O)/C=C2\SC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc1 12492178 AWXQBYFKQXUATF-BOPFTXTBSA-N 409.467 3.460 0 40 HGAB Nc1nc(COC(=O)c2cncn2-c2ccc(F)cc2)nc(Nc2ccc(F)cc2)n1 12507690 WNEKVONNLQPTNR-UHFFFAOYSA-N 423.383 3.018 0 40 HGAB O=C(O)c1cccc(S(=O)(=O)Nc2ccccc2C(=O)NCc2ccccc2)c1 12526241 WGBLTRVOJZLVBA-UHFFFAOYSA-N 410.451 3.116 0 40 HGAB CCOC(=O)c1c(C)[nH]c(C(=O)NC[C@H](c2ccc(OC)cc2)N2CCCC2)c1C 12680809 DAOJTVDBUWJKPO-LJQANCHMSA-N 413.518 3.384 0 40 HGAB C[C@H](OC(=O)c1ccc(Cl)c(S(C)(=O)=O)c1)C(=O)N1CCCc2ccccc21 12953663 WDCKACJCDOWBTP-ZDUSSCGKSA-N 421.902 3.268 0 40 HGAB CS(=O)(=O)N(CC(=O)Nc1ccc(Br)cc1)c1ccc(F)c(F)c1 13845164 FEWUGMAWXWRPHK-UHFFFAOYSA-N 419.247 3.132 0 40 HGAB C[C@H]1CCc2c(sc3nc(COC(=O)c4cc(=O)[nH]c5ccccc45)[nH]c(=O)c23)C1 15587178 BAEHDAVKTHGYNL-NSHDSACASA-N 421.478 3.308 0 40 HGAB CCOc1ccccc1NC(=O)CN(C)S(=O)(=O)c1cc(Cl)ccc1OC 16693509 HSIKJAQVHYBLPY-UHFFFAOYSA-N 412.895 3.007 0 40 HGAB O=C1[C@@H]2CCCC[C@H]2C(=O)N1c1cnn(COc2ccc(Br)cc2)c1 17082801 RQVDEUQFIAEGHJ-HZPDHXFCSA-N 404.264 3.362 0 40 HGAB O=S(=O)(c1ccc(Cl)s1)N1CCN(CCCOc2ccccc2)CC1 17288242 YXDXQLRMNKTRBK-UHFFFAOYSA-N 400.953 3.177 0 40 HGAB Cc1ccc(C(=O)N2CCc3nc([C@H]4CCCN(C(=O)C(C)C)C4)nc(O)c3C2)cc1 19135492 JZKFMPAEFWDQPE-SFHVURJKSA-N 422.529 3.051 0 40 HGAB COc1cccc(CN2C(=O)CCc3c(C)nc(CN(C)C(=O)C(C)(C)C)nc32)c1 19698666 NQRPIRFOUKGKMB-UHFFFAOYSA-N 410.518 3.278 0 40 HGAB Cc1cnc(C(=O)N2CCC[C@@H]2c2nc(C)c3c(n2)N(CCC(C)C)C(=O)CC3)cn1 19740760 BWUCQDCAAPLNAH-LJQANCHMSA-N 422.533 3.186 0 40 HGAB COc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1C 20013668 UFZGKCLDBYCBPX-AWEZNQCLSA-N 410.923 3.155 0 40 HGAB COc1ccc(C(=O)N[C@H]2CCCc3ccccc32)cc1S(=O)(=O)NC(C)C 20024710 JJFXDEHMTNALQV-SFHVURJKSA-N 402.516 3.189 0 40 HGAB O=c1c2sc3nc(N4CCOCC4)c4c(c3c2ncn1Cc1ccco1)CCCC4 20188379 TZHJBIXNZPHIIJ-UHFFFAOYSA-N 422.510 3.363 0 40 HGAB CCc1ccccc1N(CC(=O)N[C@@H](CC)c1ccc(OC)cc1)S(C)(=O)=O 20482710 FCGSAJYJMBQJCG-IBGZPJMESA-N 404.532 3.291 0 40 HGAB Cc1ccc(C)c(N(CC(=O)NCc2cccc(OC(C)C)c2)S(C)(=O)=O)c1 22328630 KJRMQMYEQFBAPK-UHFFFAOYSA-N 404.532 3.173 0 40 HGAB COc1ccc(C)cc1N(CC(=O)NCCCc1ccc(Cl)cc1)S(C)(=O)=O 22336200 BPRJZFOEDDQFHG-UHFFFAOYSA-N 424.950 3.172 0 40 HGAB CCC(=O)Nc1ccc(S(=O)(=O)NCC2CCN(C3CCCC3)CC2)c(C)c1 23127619 ZPSCOOROAJWFCG-UHFFFAOYSA-N 407.580 3.276 0 40 HGAB CCCn1c(=O)n(CCC(=O)NC2(c3noc(C)n3)CCCCC2)c2ccccc21 23508456 YVENMYGIZZFAEU-UHFFFAOYSA-N 411.506 3.270 0 40 HGAB O=C1COc2cc(C(=O)N[C@H]3CCCc4c3cnn4Cc3ccccc3)ccc2N1 24561987 XWIRFQLQADBINW-SFHVURJKSA-N 402.454 3.070 0 40 HGAB COc1ccccc1NC(=O)C1CCN(S(=O)(=O)Cc2cccc(C)c2)CC1 24612178 PBUJUPGILWDBGE-UHFFFAOYSA-N 402.516 3.184 0 40 HGAB CC(C)CCNC(=O)C1CCN(S(=O)(=O)Cc2c(F)cccc2Cl)CC1 24613239 CHYSJABSNJEBLY-UHFFFAOYSA-N 404.935 3.183 0 40 HGAB CN(C)[C@@H](CNC(=O)NCc1ccc(C(=O)N2CCCCC2)cc1)c1ccsc1 26146409 ONBNWLKWCNZLQX-FQEVSTJZSA-N 414.575 3.476 0 40 HGAB COc1ccc(OCCN2CCN(C(=O)c3nc(Cl)ccc3Cl)CC2)cc1 30065128 LTKZLOQHRBCVBY-UHFFFAOYSA-N 410.301 3.234 0 40 HGAB O=C(Cn1cnc2ccc(Br)cc2c1=O)Nc1ccnn1C1CCCC1 31692109 WGEFALKQAVYXHE-UHFFFAOYSA-N 416.279 3.109 0 40 HGAB CCn1c(=O)[nH]c(=O)c2c(C(=O)Nc3ccc4[nH]c(C)cc4c3)cc(C3CC3)nc21 32432677 IFYMUYTUUKIZTQ-UHFFFAOYSA-N 403.442 3.024 0 40 HGAB Cc1ccc(SCCNC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)cc1 32740645 VTRBNRLRFVGYFX-MRXNPFEDSA-N 412.511 3.028 0 40 HGAB O=C(CSc1nncc2c1[nH]c1ccc(F)cc12)NC[C@@H]1COc2ccccc2O1 32752918 GMUXPQFJVXNGCU-CYBMUJFWSA-N 424.457 3.299 0 40 HGAB Cc1ccc([C@H](CC(=O)OC(C)C)NC(=O)CCn2ncc(=O)c3ccccc32)cc1 32820922 LNWZFEVZSUHTMV-FQEVSTJZSA-N 421.497 3.294 0 40 HGAB C[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)Nc1ccc(F)cc1F 34849328 ZZYWYGYUHZFVTC-SECBINFHSA-N 419.247 3.033 0 40 HGAB Cc1ccccc1-c1noc(Cn2c(=O)n(Cc3ccco3)c(=O)c3ccccc32)n1 38486486 QHOLDXUISWTWOL-UHFFFAOYSA-N 414.421 3.211 0 40 HGAB FC(F)Sc1ccc(NC(=S)NC[C@@H]([C@@H]2CCOC2)N2CCOCC2)cc1 40050377 GYHBUUZKNHNCTJ-CJNGLKHVSA-N 417.547 3.025 0 40 HGAB CCN(CC)CCn1c(NC(=O)[C@H]2CCCN(c3cnccn3)C2)nc2ccccc21 40071335 LKGJBBNLUPCPFN-SFHVURJKSA-N 421.549 3.023 0 40 HGAB C[C@H]1Oc2ccccc2N(CC(=O)N2CCCC[C@H]2c2nc3ccccc3n2C)C1=O 40156277 WEEBCMGVPRVTEN-UZLBHIALSA-N 418.497 3.441 0 40 HGAB Cn1c(=O)n(C)c2cc(CN(CCCn3ccnc3)Cc3cccc(F)c3)ccc21 43277728 NEYKITCMFFQIHD-UHFFFAOYSA-N 407.493 3.305 0 40 HGAB Cc1cc(C)cc(Nc2nc(C)cc3nn(CC(=O)NC4CCCCC4)c(=O)n23)c1 49410688 QSLOQJYXMYQPAS-UHFFFAOYSA-N 408.506 3.009 0 40 HGAB CC(C)(CNC(=O)c1cc2ccccc2cc1NS(C)(=O)=O)N1CCCCC1 49590135 BYERTFIWGYLFBM-UHFFFAOYSA-N 403.548 3.206 0 40 HGAB COc1c(C)c2c(c(OC)c1C/C=C(\C)CCC(=O)NC[C@@H]1CCCO1)C(=O)OC2 62001684 AUBBNHRLFNDEJS-KAMPRCONSA-N 417.502 3.247 0 40 HGAB biogenic O=C(NCCc1ccc(F)c(Br)c1)c1ccc2c(=O)[nH]c(S)nc2c1 65493018 RALHWGNCNCZJTA-UHFFFAOYSA-N 422.279 3.086 0 40 HGAB Cc1nn([C@H]2CCS(=O)(=O)C2)c2c1[C@@H](c1cccc(OCC(C)C)c1)CC(=O)N2 71279132 PMGPYRZRAQTVJR-FUHWJXTLSA-N 417.531 3.060 0 40 HGAB CCC[C@@H]1CCN(C(=O)CN(Cc2ccco2)S(=O)(=O)c2ccc(C)cc2)C1 72305516 YQGHHWDZHYALEW-GOSISDBHSA-N 404.532 3.428 0 40 HGAB COC(=O)C[C@@H](C)N1CCN(C(=O)CCc2cccc(OC3CCCC3)c2)CC1 72309325 HILOUVYULSKGRT-GOSISDBHSA-N 402.535 3.036 0 40 HGAB CC1CCN(C(=O)CN(c2ccc(Br)cc2Cl)S(C)(=O)=O)CC1 79055015 WSKDPVVSJWTEEA-UHFFFAOYSA-N 423.760 3.127 0 40 HGAB CCOc1ncccc1CNC(=O)C(=O)Nc1cc(-c2ccccc2)nn1C(C)(C)C 84802896 VZBYIXNEIWNQDB-UHFFFAOYSA-N 421.501 3.354 0 40 HGAB Cc1ccc(C(=O)N[C@H](CCO)c2ccccc2)cc1S(=O)(=O)N1CCCCC1 89651176 GLPLISHTXZPNBB-HXUWFJFHSA-N 416.543 3.023 0 40 HGAB COC(=O)[C@@H](C)NC(=O)[C@H]1c2ccccc2C(=O)N(Cc2ccccc2)C12CCCC2 95479526 ROEIHJVONRHTHS-DYESRHJHSA-N 420.509 3.417 0 40 HGAB COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C(=O)NCCCC(=O)O)c1 95969603 HYZPQSLHSOPLED-UHFFFAOYSA-N 409.442 3.151 0 40 HGAB CC(=O)N1CCn2c(-c3ccccc3)cnc2C12CCN(C(=O)NCC(C)C)CC2 96263291 JRMIHDWBROIVJR-UHFFFAOYSA-N 409.534 3.069 0 40 HGAB CCc1noc(C)c1C(=O)N[C@H](Cc1cc(O)n2nc(C)cc2n1)c1ccc(F)cc1 100220702 BXQUEKXSMHXNNU-GOSISDBHSA-N 423.448 3.455 0 40 HGAB COc1ccc(NC(=O)[C@@H](Cc2ccccc2)N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1 101465342 CUNZZMHAVBCWQM-RGBOINFLSA-N 418.493 3.276 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)[C@H]3C[C@H]4CC[C@H]3C4)CC2)cc1 105871072 OLIFGTDZBJVJSZ-ROWPZFDLSA-N 420.575 3.037 0 40 HGAB CC[C@H](C(=O)NCCSc1ccccc1)N(c1ccccc1F)S(C)(=O)=O 220588810 MKUWMGKUKNVUPH-QGZVFWFLSA-N 410.536 3.279 0 40 HGAB CCn1cc(C(=O)N2CCC[C@@H](Cc3nc(C4CC4)no3)C2)c(=O)c2ccc(C)nc21 220748750 ATTYDYRWWCTICD-HNNXBMFYSA-N 421.501 3.080 0 40 HGAB Cc1ccccc1CNS(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2)s1 222657903 ROIMYPMSBNXWET-UHFFFAOYSA-N 422.919 3.231 0 40 HGAB CCOc1ccc(S(=O)(=O)Nc2nc(C)c(C(=O)N(C)C)s2)cc1Cl 223253408 IUUPCIDSUUMSQH-UHFFFAOYSA-N 403.913 3.006 0 40 HGAB S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2-c2cccnc2)N1C[C@@H]1CCCO1 223295902 FXVDEKYEZVWBBT-YYWHXJBOSA-N 405.527 3.419 0 40 HGAB Cc1cc(S(=O)(=O)NCCOc2ccc(Cl)cc2)ccc1N1CCCC1=O 224374844 CRPZRBHHGHGSDD-UHFFFAOYSA-N 408.907 3.133 0 40 HGAB CCOc1ccc(C(=O)Nc2cc(OC)c(OC)cc2C(=O)OC)cc1COC 224690319 RVHIGCNXIVWDAX-UHFFFAOYSA-N 403.431 3.288 0 40 HGAB COc1ccc(S(=O)(=O)N(CC(=O)O)c2cc(Cl)ccc2OC)cc1Cl 224958388 XJXLHFCEIIUBPG-UHFFFAOYSA-N 420.270 3.291 0 40 HGAB COc1ccccc1[C@H](C)NC(=O)[C@@H](C)N(c1cc(C)ccc1C)S(C)(=O)=O 225107882 RVPQQQORKJLALV-DLBZAZTESA-N 404.532 3.344 0 40 HGAB COc1ccc2c(c1)OC1(CCN(S(=O)(=O)Cc3ccccc3F)CC1)CC2=O 225820264 SDXMWVBXVKCTHQ-UHFFFAOYSA-N 419.474 3.164 0 40 HGAB FC(F)(F)c1cccc(N2CCN(C3CCN([C@@H]4CCSC4)CC3)CC2)n1 245093424 RMYDTXNFBGDQSL-MRXNPFEDSA-N 400.514 3.192 0 40 HGAB Cc1cc(C(=O)N2CC[C@H](O)[C@@H](Oc3ccccc3F)CC2)nn1-c1ccccc1 257278428 OCFWCCJEYOWNAJ-UNMCSNQZSA-N 409.461 3.364 0 40 HGAB CCc1onc(C)c1C(=O)NC[C@H]1CC[C@H](c2nnc(-c3cnc(C)cn3)o2)CC1 257304246 SKSQIVXEATXVIE-SHTZXODSSA-N 410.478 3.398 0 40 HGAB Cc1ccsc1CN1C[C@H]2Cc3nnc(C(=O)Nc4cccc(F)c4)n3C[C@H]2C1 306138939 SLDIFKOWBQPBHO-HUUCEWRRSA-N 411.506 3.344 0 40 HGAB O=S1(=O)CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC[C@@H]1c1cccs1 390828879 CAOFMUGGFYUNCL-MRXNPFEDSA-N 419.977 3.093 0 40 HGAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccc(F)c(Cl)c2)cc1Cl 408560301 OJRAFJVOMIZJOR-SECBINFHSA-N 421.277 3.447 0 40 HGAB CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccccc3OC)C2)cc1 408561409 SCZXXISDDXICRY-INIZCTEOSA-N 418.515 3.133 0 40 HGAB CC(C)CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)NCCC2=CCCCC2)cc1 408588194 CWUMRQURXSBKKU-KRWDZBQOSA-N 408.564 3.395 0 40 HGAB CCCCOC(=O)c1ccc(NC(=O)CN(c2cccc(C)c2)S(C)(=O)=O)cc1 408613181 VSXCDVWUMMHHHK-UHFFFAOYSA-N 418.515 3.357 0 40 HGAB CC[C@@H](C)NC(=O)[C@@H](CC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1 409001857 LDDYCXBMUYZOBN-YLJYHZDGSA-N 412.486 3.330 0 40 HGAB COCCN1C(=O)S/C(=C/c2ccc(OCC(=O)Nc3ccccc3)cc2)C1=O 409137480 VJPNLCWXQLDPIA-QGOAFFKASA-N 412.467 3.387 0 40 HGAB Cc1ccc(-c2c(C)nn3c(=O)cc(CC(=O)NCCOc4ccccc4)[nH]c23)cc1 575402300 PNKKMKCDKWNDSM-UHFFFAOYSA-N 416.481 3.044 0 40 HGAB Cc1nc(-c2cccs2)sc1C(=O)N1CCN(c2cc3c(nn2)CCC3)CC1 575619257 JDWPWHUFLDNPIG-UHFFFAOYSA-N 411.556 3.421 0 40 HGAB CC(C)(C)c1nccc(C[C@@H]2[C@@H](CO)[C@H](O)C[C@H]2NCc2ccc(Cl)cc2)n1 604382311 NYYWNTXSULYHLK-UAFMIMERSA-N 403.954 3.118 0 40 HGAB biogenic,in-vitro COCC(=O)N1CCCCCCCNCc2cc(C(=O)NCc3ccccn3)ccc21 643584531 PUNBRAUGOGJFNL-UHFFFAOYSA-N 424.545 3.045 0 40 HGAB O=C1C[C@@H]2CCN(S(=O)(=O)c3ccccc3)C[C@@H]2CCOc2ccc(F)cc2N1 1534646711 QEPLNHDHTBXBQW-HOTGVXAUSA-N 418.490 3.264 0 40 HGAB O=S(=O)(c1ccc(Br)cc1)N1CCC[C@@H](COc2ccncc2)C1 1775971466 OVKOBTWPOCKXSU-CQSZACIVSA-N 411.321 3.324 0 40 HGAB Cn1nccc1C(=O)N1[C@H](c2cccc(C(F)(F)F)c2)C[C@]2(C)NC(=O)CCC[C@H]12 2037784246 QSECQKFWWQKPRH-ZWOKBUDYSA-N 420.435 3.454 0 40 HGAB COc1cc(C)nc(N2CCC[C@@H](C(=O)Nc3ccccc3Br)C2)n1 1344035 CBGLDZMXOYTABB-CYBMUJFWSA-N 405.296 3.411 0 40 HGAB COc1ccc(C(=O)Nc2ccccc2C(=O)N[C@@H](C(=O)NC(C)C)C(C)C)cc1 3190319 JKQLGNAESJMRBY-HXUWFJFHSA-N 411.502 3.227 0 40 HGAB COc1cc(/C=C/C(=O)OCC(=O)Nc2ccc(C(C)=O)cc2)cc(OC)c1OC 3415368 WYTRHSCMUGLELH-BJMVGYQFSA-N 413.426 3.110 0 40 HGAB Cc1cc(C)cc(N(CC(=O)NC(C)(C)C)C(=O)CCC(=O)Nc2ccccn2)c1 4848219 PRHSMZYAXKXPLX-UHFFFAOYSA-N 410.518 3.365 0 40 HGAB COc1ccc(C(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCCCC3)c2)cc1 5578725 AAMCSHUQYVPSAX-UHFFFAOYSA-N 404.488 3.131 0 40 HGAB CC(C)Cc1ccc([C@@H](C)NC(=O)CSc2nnc(C(F)(F)F)n2N)cc1 5993665 BCDDUBUNGJHDNQ-LLVKDONJSA-N 401.458 3.179 0 40 HGAB COc1ccc(Cl)cc1NC(=O)CN(C)CC(=O)N[C@@H]1CCCc2ccccc21 6580484 XFVMHQZMAWIRMB-GOSISDBHSA-N 415.921 3.413 0 40 HGAB NC(=O)c1ccsc1NC(=O)CSc1nnc(Nc2ccccc2F)s1 6839611 KAZIORBLOHTKAJ-UHFFFAOYSA-N 409.493 3.312 0 40 HGAB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)OCC(=O)c3ccccc3)cc2)C1 6887233 KRHRPXYAPCYRPV-IAGOWNOFSA-N 415.511 3.393 0 40 HGAB COc1ccccc1C(=O)N[C@@H](CCSC)C(=O)NCCSCc1ccco1 7007567 XJICGCMOGJAYCR-KRWDZBQOSA-N 422.572 3.189 0 40 HGAB CCCCn1c(CN(C)C2CCCCC2)nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 7049101 FOPNNLVMCYEUFQ-UHFFFAOYSA-N 423.561 3.499 0 40 HGAB CCCCN(C)S(=O)(=O)c1ccc(NC(=O)Cc2ccc(NC(C)=O)cc2)cc1 7313144 LKTLLEGKVJMXKI-UHFFFAOYSA-N 417.531 3.247 0 40 HGAB CCN(C[C@@H]1COc2ccccc2O1)C(=O)CSc1ncnc2sccc12 7329399 FPDLEYJGVZLOJO-CYBMUJFWSA-N 401.513 3.472 0 40 HGAB COc1cc(S(=O)(=O)Nc2ccccc2C(=O)NCc2ccco2)ccc1F 7361119 LGKRYEXRBJNOLG-UHFFFAOYSA-N 404.419 3.158 0 40 HGAB COC(=O)c1ccc(OC(=O)[C@H]2CC(=O)N(c3cc(Cl)ccc3OC)C2)cc1 7928756 PJALQHYGUCVLJN-ZDUSSCGKSA-N 403.818 3.094 0 40 HGAB CC[C@H](C)N(C(=O)CSc1nnc2n(C)c(=O)c3ccccc3n12)[C@@H](C)CC 8353397 NQJLPLAJQWKLPI-KBPBESRZSA-N 401.536 3.099 0 40 HGAB Cc1ccc(N[C@@H]2SC(=O)N(CCN3C(=O)c4ccccc4C3=O)C2=O)c(C)c1 9338821 VQABCVXHUFVFPY-QGZVFWFLSA-N 409.467 3.033 0 40 HGAB CCNc1cc(C)nc(N2CCN(S(=O)(=O)c3cc(C(C)C)ccc3C)CC2)n1 9620869 WPLQYBBLSXAXFT-UHFFFAOYSA-N 417.579 3.160 0 40 HGAB Cc1ccsc1C(=O)OCC(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 9663872 FOVRQPQYPABUKS-UHFFFAOYSA-N 422.528 3.027 0 40 HGAB CCN(c1ccc(C(=O)NCCSCc2ccccc2C)cc1)S(C)(=O)=O 10008581 DPZPKMBDACEHQR-UHFFFAOYSA-N 406.573 3.444 0 40 HGAB COc1ccc(C)cc1N(CC(=O)N1CCC[C@H](C)C1)S(=O)(=O)c1ccccc1 10541170 IKRNLNGAJFJYGM-SFHVURJKSA-N 416.543 3.457 0 40 HGAB CO[C@@H]1CCC[C@@H](C(=O)N2CCC[C@H]2Cn2nc(-c3cccs3)ccc2=O)C1 12144959 TZXPOYGTKBUSBE-IXDOHACOSA-N 401.532 3.168 0 40 HGAB CCC(=O)N1CCc2cc([C@@H](O)CN3CCC(O)(c4ccc(C)cc4)CC3)ccc21 12181114 LYYNOWRTTGYYLJ-QHCPKHFHSA-N 408.542 3.311 0 40 HGAB CCOc1cc(CCC(=O)N[C@H]2CC(C)(C)Cc3nc(-c4cnccn4)ncc32)on1 12275630 GDUXWYOHJJWMLN-INIZCTEOSA-N 422.489 3.083 0 40 HGAB CCc1noc(CC)c1C(=O)N1CCC(c2nc3ccccc3cc2C(N)=O)CC1 12276289 YLCFHWAFVPQOOY-UHFFFAOYSA-N 406.486 3.466 0 40 HGAB CCCOc1cc([C@@H]2NC(N)=Nc3nc4cc5c(cc4n32)OCCCO5)ccc1OC 12506561 QYDVWMYWXCNIBC-HXUWFJFHSA-N 423.473 3.091 0 40 HGAB CCn1c2ccccc2c2cc(N[C@H](C)C(=O)N(C)[C@H]3CCS(=O)(=O)C3)ccc21 12561491 MIVYRIAPGACNEY-WBVHZDCISA-N 413.543 3.260 0 40 HGAB CCOC(=O)c1ccc(OC[C@H](O)CN2CCN(c3ccccc3Cl)CC2)cc1 12600660 ULUQUMJFDQUJRZ-GOSISDBHSA-N 418.921 3.079 0 40 HGAB C[C@H]1CN(C(=O)CSc2nc(N)c3c4c(sc3n2)C[C@H](C)CC4)C[C@H](C)O1 12656213 WPLATDHKNTZVAH-WOPDTQHZSA-N 406.577 3.126 0 40 HGAB O=C(N[C@@H]1CCN(Cc2ccccc2)C1)c1ccc2c(=O)n3c(nc2c1)CCCCC3 12761153 AEUJGJHFYZAVQR-HXUWFJFHSA-N 416.525 3.127 0 40 HGAB CCOC(=O)c1ccc(S(=O)(=O)N(CC)[C@@H](C)C(=O)Nc2ccc(C)cc2)cc1 12803617 YZXRTGXCTOBZRS-INIZCTEOSA-N 418.515 3.210 0 40 HGAB COC(=O)c1sccc1NC(=O)CCn1cnc2sc3c(c2c1=O)CCCC3 12869383 QLMWDGQYUAUXJR-UHFFFAOYSA-N 417.512 3.214 0 40 HGAB Cc1ccc(CNC(=O)CCN2C(=O)c3ccc(Br)cc3C2=O)cc1 12928801 PBYCCRRVWGFGEF-UHFFFAOYSA-N 401.260 3.060 0 40 HGAB CCc1cccc(N2C[C@H](C(=O)N3CCC(NC(=O)c4ccccc4)CC3)CC2=O)c1 12996753 ULRZDEKMAWSLOU-HXUWFJFHSA-N 419.525 3.023 0 40 HGAB O=S(=O)(NCc1ccc(Cn2cccn2)cc1)c1cccc(Br)c1 13012948 OZDMACBQNSAIES-UHFFFAOYSA-N 406.305 3.172 0 40 HGAB C[C@H](NC(=O)C(=O)N[C@H]1C(=O)N(Cc2ccccc2)c2ccccc21)c1ccccc1 13625045 AQIUIHWYHDFRQC-HTAPYJJXSA-N 413.477 3.268 0 40 HGAB CCc1cccc(CC)c1NC(=O)[C@H]1CN(S(=O)(=O)CC)c2ccccc2O1 13679624 KXPVPFQLGBPBGQ-LJQANCHMSA-N 402.516 3.367 0 40 HGAB CS(=O)(=O)N1CCC[C@H](C(=O)Nc2nc3c(Cl)ccc(Cl)c3s2)C1 13790467 ALZZJHZKXPZSCR-QMMMGPOBSA-N 408.332 3.213 0 40 HGAB COc1ccc(Cc2c(O)nc(SCC(=O)Nc3ccccc3C)[nH]c2=O)cc1 13957223 HDGHMNPDJDBKGB-UHFFFAOYSA-N 411.483 3.114 0 40 HGAB COc1c(Br)cc(F)cc1NS(=O)(=O)c1ccc(C(=O)O)cc1 15514600 PSSBUKQCHVKYNR-UHFFFAOYSA-N 404.213 3.096 0 40 HGAB CN(Cc1ccccc1)Cc1cc(C[C@H]2CNCC[C@H]2CC(=O)N2CCCCC2)no1 15673539 GEMHQDJDZNKZDH-VXKWHMMOSA-N 424.589 3.477 0 40 HGAB biogenic,in-vitro COc1ccc(CCNC(=O)CCCNC(=O)c2ccc(Cl)cc2)cc1OC 16601264 OMAPUDSLORELKU-UHFFFAOYSA-N 404.894 3.226 0 40 HGAB Cc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N3C[C@H](C)O[C@@H](C)C3)c2)cc1 17327131 SOIMIRHOXRFLET-IRXDYDNUSA-N 402.516 3.354 0 40 HGAB COc1ccc([C@H](CNC(=O)c2nn(-c3ccccc3)cc2OC)N2CCCC2)cc1 17911717 VCAAZGBPJBNNGV-NRFANRHFSA-N 420.513 3.456 0 40 HGAB Cn1ccnc1C1(O)[C@H]2CCC[C@@H]1CN(Cc1ccc(Oc3ncccn3)cc1)C2 19291390 BIBAFRWLWXEYPB-LIMIJEPZSA-N 405.502 3.122 0 40 HGAB O=C(Cc1ccccc1F)N1CCCC[C@@H]1c1nn(CCO)cc1-c1ccncc1 19348139 IPLPFFLUJSBQCF-OAQYLSRUSA-N 408.477 3.373 0 40 HGAB C[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)c1ccc2c(c1)CCCO2 19458857 VRBXELJUSHBNJQ-MAUKXSAKSA-N 422.481 3.013 0 40 HGAB Cc1nc(C)c(CC(=O)N2C[C@@H](c3ccccc3F)[C@@]3(CCCC(=O)N3)C2)s1 19560453 KLDQZKLLDPLSIP-HRAATJIYSA-N 401.507 3.106 0 40 HGAB CCN(CC)S(=O)(=O)c1cc(Cl)ccc1OCC(=O)N1CCCCCC1 22248863 WVRFRSHOMZZAQC-UHFFFAOYSA-N 402.944 3.152 0 40 HGAB COc1ccc(C(=O)N[C@@H](C)c2ccc(F)cc2)cc1S(=O)(=O)N1CCCCC1 22537863 HKOGYOHVPFLFMH-HNNXBMFYSA-N 420.506 3.500 0 40 HGAB N=C(NC1=N[C@H](CC(=O)Nc2ccc(F)c(Cl)c2)C(O)=N1)Nc1ccccc1 22607380 ZFZFMFJFVJUTPE-CQSZACIVSA-N 402.817 3.139 0 40 HGAB C[C@@H](C(=O)Nc1sccc1C(N)=O)N(C)Cc1ccccc1OC(F)(F)F 22966558 USOONRJXLDADNL-JTQLQIEISA-N 401.410 3.205 0 40 HGAB Cc1cccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)NC[C@@H]3CCCO3)c2)c1 25378631 DEODQPKPXHASGE-HNNXBMFYSA-N 408.907 3.358 0 40 HGAB O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)/C=C/c2ccc3c(c2)CCO3)CC1 26075168 KQHOLHGCZZMQNM-QHHAFSJGSA-N 420.465 3.241 0 40 HGAB O=C([C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1)N1CCCC1 26109900 AFKMLDLIXYURJS-CQSZACIVSA-N 405.347 3.158 0 40 HGAB O[C@H](COc1ccccc1Br)CN1CCN(c2ccc(F)cc2)CC1 26781839 USRLLRKRRHQAIT-KRWDZBQOSA-N 409.299 3.150 0 40 HGAB CCc1ccccc1NC(=O)Cc1nnc(S[C@@H](C)C(=O)NC2CCCC2)n1C 28211586 ZNKABBISLACSAT-AWEZNQCLSA-N 415.563 3.098 0 40 HGAB Cc1ccccc1C(=O)N1CCC(C(=O)NCc2ccc(Cn3ccnc3)cc2)CC1 28694764 ICDFCKXUJWQIDT-UHFFFAOYSA-N 416.525 3.408 0 40 HGAB Cc1noc2nc(-c3cccs3)cc(C(=O)NC[C@@H](C(C)C)N3CCOCC3)c12 32298533 LICGOGBMUZNDNV-KRWDZBQOSA-N 414.531 3.346 0 40 HGAB COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)[C@@H](C)Oc1cccc(Cl)c1 32900768 GRILDYMWJHLZTF-CQSZACIVSA-N 418.877 3.369 0 40 HGAB Cc1ccc([C@@H]2[C@H]3C=C[C@@]4(O3)[C@@H](C(=O)NC3CCCC3)N(C(C)(C)C)C(=O)[C@H]24)cc1 35311181 DXOLGWOCJNTKGM-LMHDGWJKSA-N 408.542 3.470 0 40 HGAB NC(=O)c1c(NC(=O)[C@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2C(=O)O)sc2c1CCc1ccccc1-2 35897866 SEYHZYZQXTWQKY-OQUILHJVSA-N 422.506 3.464 0 40 HGAB O=S(=O)(Nc1ccccc1-n1ccnn1)c1c(F)cc(F)cc1Br 40146637 LTIVYQFKVXYEBC-UHFFFAOYSA-N 415.219 3.109 0 40 HGAB Cc1csc(C(=O)Nc2nnc(SCC(=O)Nc3nnc(C)s3)s2)c1 42379270 FTPCWBYCIAHYLG-UHFFFAOYSA-N 412.547 3.051 0 40 HGAB CN(C(=O)C1CCN(S(=O)(=O)CCCc2ccccc2)CC1)C1CCCCC1 44885404 YBBXEGMMNOMQLF-UHFFFAOYSA-N 406.592 3.452 0 40 HGAB C[C@@H]1CCCC[C@@H]1OCCNC(=O)Nc1ccc(NC(=O)[C@@H](C)n2cncn2)cc1 46830731 VBLQTIUVETUVQP-MDZRGWNJSA-N 414.510 3.195 0 40 HGAB Cc1cc(-c2cc(C(=O)NCC(=O)NCc3ccco3)c3c(C)noc3n2)c(C)o1 48272204 HMRABHUADRLRKS-UHFFFAOYSA-N 408.414 3.047 0 40 HGAB CS(=O)(=O)Nc1ccc(CNc2ncc(C(=O)N3CCCCC3)cc2Cl)cc1 60446634 UGKBUJYYSLRLAU-UHFFFAOYSA-N 422.938 3.345 0 40 HGAB CCCN1CCC2(CC1)OC[C@@H](C(=O)O)N2C(=O)c1ccc(Cl)c(Cl)c1 71980319 JGPJHWXOMLVFFH-HNNXBMFYSA-N 401.290 3.121 0 40 HGAB CCc1c(C)sc2ncn([C@@H]3CCCN(CC(=O)NCc4ccccc4)C3)c(=O)c12 72347728 UURASINWOOEKCF-GOSISDBHSA-N 424.570 3.282 0 40 HGAB CCCn1cc(CN2[C@H]3CC[C@@H]2CC(O)(Cn2nc(C)ccc2=O)C3)c2ccccc21 72394809 CKXIHJRNDUNBFB-KEVCNVLYSA-N 420.557 3.475 0 40 HGAB CC1(C)CCN(C(=O)c2cccc(S(=O)(=O)N3CCc4sccc4C3)c2)C1 78934894 QKGBAEPFUWIFLS-UHFFFAOYSA-N 404.557 3.367 0 40 HGAB O=C(CN(Cc1cccc(OCC(F)(F)F)c1)C[C@@H]1CCCO1)N1CCCC1 78947838 USHULLUKQOCIKX-SFHVURJKSA-N 400.441 3.231 0 40 HGAB O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)Nc1ccc(SCc2cccnc2)cc1 84425113 CMHDEDAQULZMDE-OALUTQOASA-N 409.511 3.488 0 40 HGAB CCOc1ccc(C(=O)NCC(=O)N[C@@H](C)Cc2cc(C)nn2-c2ccccc2)cc1 89991076 RUTDFVGWTPOFJY-KRWDZBQOSA-N 420.513 3.057 0 40 HGAB O=C(c1cc(-c2ccccc2)n[nH]1)N1CC[C@@H](S(=O)(=O)c2ccc(Cl)cc2)C1 96103475 CKPRGUWFUCYSIQ-QGZVFWFLSA-N 415.902 3.419 0 40 HGAB COC(=O)N1CCc2ccc(NC(=O)c3ccccc3S(=O)(=O)C(F)F)cc2C1 96103687 FMKMSSQYMITKHM-UHFFFAOYSA-N 424.425 3.060 0 40 HGAB COc1ccc2c(C)c(CC(=O)N[C@@H](C)c3nc4ccccc4[nH]3)c(=O)oc2c1OC 96116459 QIGPCJJROSSCGO-ZDUSSCGKSA-N 421.453 3.415 0 40 HGAB biogenic CCN1C(=O)[C@H]2CN(CC(C)C)C[C@H]2C12CCN(C(=O)c1cccc(Cl)c1)CC2 96143600 HATXVIRTGCHXRH-VQTJNVASSA-N 417.981 3.381 0 40 HGAB Cc1cnc(CNC(=O)[C@H]2C[C@@]3(CO2)CN(Cc2ccccc2)c2ccccc23)cn1 96262841 OYCDJBDMXLNDEP-NOZRDPDXSA-N 414.509 3.148 0 40 HGAB Cc1nc(-c2ccccc2)sc1CNC(=O)C[C@@H]1CSc2ncc(C)c(=O)n21 96342235 MVBIORIVDDARQW-OAHLLOKOSA-N 412.540 3.337 0 40 HGAB Cc1cc(=O)n2c(n1)SC[C@@H]2CC(=O)NCc1sc(-c2ccccc2)nc1C 96342237 MMTXGMVYQGJQBX-HNNXBMFYSA-N 412.540 3.337 0 40 HGAB C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)C[C@@H](O)[C@]4(C)[C@H]3CC[C@@]21C 97978941 GYUVAHWOVINGNE-BSNAKVQISA-N 408.579 3.449 0 40 HGAB in-vitro COc1ncc(C2(O)[C@H]3CCC[C@H]2CN(Cc2cn(C)c4ccccc24)C3)c(OC)n1 100149541 FLQMGEYOBBVKKC-ROUUACIJSA-N 422.529 3.105 0 40 HGAB O=C(N[C@@H](c1ccccn1)[C@@H]1CCCN(C(=O)C2[C@H]3CCCC[C@H]23)C1)[C@@H]1CCCO1 100243657 SQEXUZFWXRQSRK-PNJDVYOFSA-N 411.546 3.093 0 40 HGAB CC(=O)c1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2CCCN2[C@@H]3C(=O)c2ccc(C)cc2)cc1 101316649 PGEPDVMBAYDJFH-CZYKHXBRSA-N 416.477 3.033 0 40 HGAB Cc1nc(-c2ccccn2)sc1C(=O)NCCN1CCN(C)C[C@H]1c1ccccc1 104889631 QQXLUWPQQHABGD-FQEVSTJZSA-N 421.570 3.232 0 40 HGAB CCOC(=O)c1ccc(NC(=O)[C@H](C)N(c2ccc(CC)cc2)S(C)(=O)=O)cc1 220263782 HXJCKUBSXQMYFJ-HNNXBMFYSA-N 418.515 3.219 0 40 HGAB Cc1ccccc1C(=O)N/C(=C\c1ccco1)C(=O)NCc1ccc2c(c1)OCO2 223964569 XZNGPUCEYMFTEO-UNOMPAQXSA-N 404.422 3.404 0 40 HGAB CC[C@H]1CCCCN1CCCNS(=O)(=O)c1ccc(Cl)c(C(=O)OC)c1 224008629 HXDRUJXVXBWPMZ-AWEZNQCLSA-N 402.944 3.060 0 40 HGAB CS(=O)(=O)N(CC(=O)Nc1ccc(OC(F)(F)F)cc1)c1ccc(F)cc1 224862257 NLQFCAVDSCNIOS-UHFFFAOYSA-N 406.357 3.129 0 40 HGAB C[C@H](C(=O)Nc1ncc(Cc2ccccc2)s1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 253376794 UZNDGXHPKYXABD-YOQCSXPPSA-N 409.511 3.092 0 40 HGAB CCN(CC)S(=O)(=O)N1CCO[C@@H](c2cc(Cc3cccc(F)c3)cc(C)n2)C1 257251156 JPQHIWMTMMEMHQ-OAQYLSRUSA-N 421.538 3.080 0 40 HGAB CCc1nnc(Nc2cccc([C@@H]3CCCN(C(=O)CCN4CCCC4)C3)n2)s1 257289882 QAOFELNOJAKAEU-MRXNPFEDSA-N 414.579 3.431 0 40 HGAB Cc1ccsc1C(=O)N1CCO[C@@H](c2nnn3cc(-c4ccncc4)ccc23)C1 306127560 GBXYGTZEWGBESW-GOSISDBHSA-N 405.483 3.375 0 40 HGAB O=C(C1CC1)N1CCC2(CC1)Oc1ccccc1-c1c2cnn1CCN1CCCC1 306143777 YLWVOPKSXXZOCA-UHFFFAOYSA-N 406.530 3.266 0 40 HGAB CCc1ncnc(O[C@H]2CCN(C(=O)CSc3c[nH]c4ccccc34)C2)c1F 390827258 FWZULUMAXYKEME-ZDUSSCGKSA-N 400.479 3.431 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccccc3C)C2)cc1OC 408553889 RBWHTLXMQMECHA-MRXNPFEDSA-N 418.515 3.052 0 40 HGAB Cc1ccc(-c2ccc(CCC(=O)O)n2NC(=O)C(=O)Nc2ccc(F)cc2)cc1 408560656 DUXMVEIYEQFZAK-UHFFFAOYSA-N 409.417 3.329 0 40 HGAB O=C(C(=O)N1CCCCC1)c1cn(CC(=O)N2CCc3ccccc32)c2ccccc12 408570925 MJMXESWNFWBINO-UHFFFAOYSA-N 415.493 3.426 0 40 HGAB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1 408823187 MXRHXFWXAMGNLT-INIZCTEOSA-N 404.806 3.489 0 40 HGAB CCS(=O)(=O)N1CC2(CCN(C(=O)c3cccc(F)c3)CC2)c2ccccc21 585103097 DAQNLOMMZDTANA-UHFFFAOYSA-N 402.491 3.169 0 40 HGAB CCCN1CCC2(CCCCCNC(=O)c3ccccc3OC[C@H](C)NC2=O)CC1 643581457 SLOCGFKNFNJSQL-IBGZPJMESA-N 415.578 3.366 0 40 HGAB O=C(NC1CCN(C(=O)c2ccccc2C(F)(F)F)CC1)c1n[nH]c2c1CCCC2 681358956 MCDCSDBTLIWEQR-UHFFFAOYSA-N 420.435 3.342 0 40 HGAB O=C1N(c2ccsc2)CC[C@]12CN(S(=O)(=O)C1CC1)C[C@H]2c1ccccc1 1259273052 VPDOFUMXDATNSP-AZUAARDMSA-N 402.541 3.063 0 40 HGAB Brc1cnc(OC[C@@H]2CCCN(c3cnc4ccccc4n3)C2)nc1 1775970026 XTSFXHDRPBYSHC-CYBMUJFWSA-N 400.280 3.478 0 40 HGAB Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(Cl)c3)cc2)n1 898241 YZRNZFKVJATFCD-UHFFFAOYSA-N 402.863 3.492 0 40 HGAB O=C(Nc1ccccn1)c1cc(S(=O)(=O)N2CCCCC2)ccc1Br 990806 SZDMGCJDFJYFCM-UHFFFAOYSA-N 424.320 3.271 0 40 HGAB CCCS(=O)(=O)c1ccc(COC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1 993410 FDMBIHWXAXXIQQ-SFHVURJKSA-N 415.511 3.275 0 40 HGAB CCOC(=O)[C@](NC(=O)N(C1=NC[C@H](C)S1)c1ccccc1)(OC)C(F)(F)F 2271231 IUXUJAYDTRADHY-ZBEGNZNMSA-N 419.425 3.162 0 40 HGAB O=C(NCc1ccccc1)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1 2644941 YGXLMJVSOGTOMB-UHFFFAOYSA-N 406.507 3.364 0 40 HGAB CCCCN(CCCC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(CC)o2)cc1 2720156 XSSPFQDPFUERCO-UHFFFAOYSA-N 408.524 3.475 0 40 HGAB CCCCNC(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccc(C)cc2C)cc1 2889856 NGMLDQFAUUHVQW-UHFFFAOYSA-N 403.504 3.344 0 40 HGAB C[C@@H]([C@@H](O)c1ccccc1)N(C)C[C@H]1C(=O)O[C@@H]2CC3=CCC[C@H](C)[C@@]3(C)[C@H](O)[C@H]12 4028673 SYTZVGPWDLPTPO-XMPDMAAFSA-N 413.558 3.325 0 40 HGAB Cc1cccc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)s2)c1 4072111 UOYPAZAUNBQYCT-UHFFFAOYSA-N 402.501 3.016 0 40 HGAB CCc1ccccc1NC(=O)CSc1nnc(Cc2ccc(OC)cc2)c(O)n1 4317414 GTAAIQHHMSWENV-UHFFFAOYSA-N 410.499 3.470 0 40 HGAB Cc1cc2occ(CC(=O)OCC(=O)Nc3ccc(C(=O)N(C)C)cc3)c2cc1C 4493776 HMNZZCAINODPMC-UHFFFAOYSA-N 408.454 3.476 0 40 HGAB O=C(CSc1nc2ccccc2n1CC(=O)NC1CCCC1)Nc1nccs1 4859113 XAEJIQHAEOLNAK-UHFFFAOYSA-N 415.544 3.282 0 40 HGAB CCN(Cc1ccccc1)C(=O)C(=O)c1cn(CC(=O)N2CCCC2)c2ccccc12 5087046 SDHDQZPCLWACLC-UHFFFAOYSA-N 417.509 3.495 0 40 HGAB CCOCCCNC(=O)c1cc2c(=O)n3cccc(C)c3nc2n1Cc1ccccc1 5322669 GVWJFTAJGPZZLZ-UHFFFAOYSA-N 418.497 3.162 0 40 HGAB CCOC(=O)c1c(NC(=O)COC(=O)c2cccc(OC)c2)sc2c1CCC2 5470313 WNZDYBRSGXCIBJ-UHFFFAOYSA-N 403.456 3.218 0 40 HGAB CCC(=O)NC(=S)Nc1ccc(N2CCN(C(=O)c3ccc(C)cc3)CC2)cc1 5945930 VOCCARIOCVPUPO-UHFFFAOYSA-N 410.543 3.180 0 40 HGAB O=C(c1ccc(Oc2ccccc2)cc1)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 6640259 AXFDERWCVZKNKU-GHTZIAJQSA-N 415.511 3.287 0 40 HGAB O=C(Oc1ccc2c(c1)OCO2)c1cc(S(=O)(=O)N2CCCCCC2)cs1 6680782 WPAXBLWGZGRXSF-UHFFFAOYSA-N 409.485 3.261 0 40 HGAB Nc1nc(Cn2c(=O)oc3ccc(Cl)cc32)nc(Nc2ccccc2Cl)n1 6719607 DWYMAHASUZTRHU-UHFFFAOYSA-N 403.229 3.460 0 40 HGAB CS(=O)(=O)Cc1ccc(C(=O)OCc2cc(Cl)c3c(c2)OCCCO3)cc1 7188192 MDHZCOONWFZSIE-UHFFFAOYSA-N 410.875 3.403 0 40 HGAB C[C@@H](Sc1nnc(S[C@H](C)C(=O)NC(C)(C)C)s1)C(=O)NC(C)(C)C 7874175 GJNQEXQTLOSBFQ-NXEZZACHSA-N 404.627 3.329 0 40 HGAB Cc1ccc(C(=O)NCCCN2CCC(C)CC2)cc1S(=O)(=O)N1CCCCC1 7924937 QSCKCKRGEKLXPG-UHFFFAOYSA-N 421.607 3.021 0 40 HGAB Cc1ccc(NCCOc2ccc(Cl)cc2)cc1S(=O)(=O)N1CCOCC1 8026255 DNUUOEJAIYZLPZ-UHFFFAOYSA-N 410.923 3.160 0 40 HGAB Cc1cc(NC(=O)COC(=O)CCCC(=O)Nc2cccc(C(F)(F)F)c2)no1 8433542 NCGFZPBUTWFNFG-UHFFFAOYSA-N 413.352 3.293 0 40 HGAB CCc1ccccc1NC(=O)CSc1nnc(-c2cc(-c3ccccc3)n[nH]2)n1N 9015388 KVWDDSMQAJOZCZ-UHFFFAOYSA-N 419.514 3.342 0 40 HGAB O=C(CN1C(=O)c2ccccc2C1=O)N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1 9714938 CWWSYVPOQPSWET-NRFANRHFSA-N 424.460 3.259 0 40 HGAB CCS(=O)(=O)N1CCC(C(=O)Nc2nc(-c3c[nH]c4ccccc34)cs2)CC1 9726803 SPMULLGOSJMYTK-UHFFFAOYSA-N 418.544 3.292 0 40 HGAB CCN(c1ccc(C(=O)Nc2ccc(Cl)c(C(=O)OC)c2)cc1)S(C)(=O)=O 10008618 BEKNHYVPYIKSTH-UHFFFAOYSA-N 410.879 3.165 0 40 HGAB CCOc1ccc2nc(NC(=O)CS(=O)(=O)c3ccc(OC)cc3)sc2c1 10219260 ZYRWDLVZRWDXAX-UHFFFAOYSA-N 406.485 3.116 0 40 HGAB CN(C)c1ccc(NC(=O)C[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)cc1 11612730 DQTXGODUWGQWRN-IBGZPJMESA-N 401.532 3.325 0 40 HGAB O=C(Cc1ccc(Cl)cc1)Nn1cnc2c(cnn2-c2cccc(Cl)c2)c1=O 11665765 UGTIBVQLSKKKKC-UHFFFAOYSA-N 414.252 3.202 0 40 HGAB Cn1nc([C@@H](Cc2ccccc2)NC(=O)Cc2ccc3c(c2)OCO3)c2cccnc21 12236023 VMDCCNFAHDVVKI-LJQANCHMSA-N 414.465 3.340 0 40 HGAB Cc1ccccc1C(=O)N[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(F)(F)F 12463027 MUJKYIZCVHUAIO-OAHLLOKOSA-N 406.813 3.245 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)Nc3ccc(C)cc3)c2c1 12566600 KOVKFQTVYNCRAL-UHFFFAOYSA-N 413.499 3.119 0 40 HGAB C[C@H](Sc1nc2cc(Cl)cnc2[nH]1)C(=O)Nc1sc2c(c1C(N)=O)CCC2 12579400 CQIDUPGDVGLQBS-ZETCQYMHSA-N 421.935 3.380 0 40 HGAB CC(C)(C)OC(=O)N[C@@H](CC(=O)O)C1CCN(C(=O)OCc2ccccc2)CC1 12648357 UBHLDUJTRRPSSS-KRWDZBQOSA-N 406.479 3.403 0 40 HGAB COc1ccc(C)cc1NC(=O)[C@@H](C)N1CCC(C(=O)NCc2ccccc2)CC1 12819160 XJSHCUKEWPPFOT-GOSISDBHSA-N 409.530 3.359 0 40 HGAB CC(=O)Nc1ccc(CC(=O)Nc2c(C(=O)N3CCOCC3)oc3ccccc23)cc1 12882887 SEIOYVCPXAZKDQ-UHFFFAOYSA-N 421.453 3.045 0 40 HGAB COc1ccc(NC(=O)CN2CCC(C(=O)N3CCCCCC3)CC2)cc1Cl 12943110 YTGIELYCXROEEX-UHFFFAOYSA-N 407.942 3.402 0 40 HGAB CCn1cc(C(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C)C3)c(=O)c2ccc(C)nc21 13145697 HNWNZXMCMVLNCI-LLVKDONJSA-N 424.526 3.262 0 40 HGAB CCOc1ccccc1CCCNC(=O)CN(c1ccccc1Cl)S(C)(=O)=O 13646788 VUJHYCZGSYLPIT-UHFFFAOYSA-N 424.950 3.254 0 40 HGAB COc1cc(Br)c(Br)c(/C=C2\SC(=O)NC2=O)c1O 13942446 MFYWJKJWWXYZHX-UQCOIBPSSA-N 409.055 3.250 0 40 HGAB CCc1ccc(-c2noc(CCC(=O)Nc3ccc(N4CCN(C)CC4)nc3)n2)cc1 14853340 QPWNDPUWFILTLR-UHFFFAOYSA-N 420.517 3.017 0 40 HGAB CC(=O)Nc1ccc2nc(NC(=O)CCS(=O)(=O)c3ccc(F)cc3)sc2c1 16047963 KLKPMROATAWTTF-UHFFFAOYSA-N 421.475 3.196 0 40 HGAB Cn1c(=O)n(C)c2cc([C@H](O)COc3ccc(CNCc4cccs4)cc3)ccc21 16363953 ZDBUJOAFFWJUFJ-JOCHJYFZSA-N 423.538 3.341 0 40 HGAB CCn1ccc([C@@H]2C(C(=O)Nc3ccccc3C)=C(C)Nc3nc(SC)nn32)n1 17088298 CQVUBGQDHQMZPZ-QGZVFWFLSA-N 409.519 3.452 0 40 HGAB CCC(=O)N1CCCc2cc(NS(=O)(=O)c3ccc(OC)cc3OC)ccc21 17248186 YGROVCZLABJAIJ-UHFFFAOYSA-N 404.488 3.194 0 40 HGAB O=C(CNS(=O)(=O)c1ccc(NC(=O)c2ccccc2F)cc1)c1ccccc1 18197894 UNZIRYIRVVZKSK-UHFFFAOYSA-N 412.442 3.239 0 40 HGAB Cc1cc(O)n2nc(C3CCN(C(=O)c4c(-c5ccncc5)noc4C)CC3)cc2n1 19117199 RIGCEGTZWYHCFJ-UHFFFAOYSA-N 418.457 3.122 0 40 HGAB O=C([C@@H]1CCCCO1)N1CCC[C@H](c2cc3nc(C(F)(F)F)ccc3c(=O)[nH]2)C1 19341767 NYIIZPIKUAUKLT-LRDDRELGSA-N 409.408 3.217 0 40 HGAB COc1ccccc1Cn1ncc2c1CCC[C@H]2NC(=O)c1ccc2c(c1)OCO2 19570967 VUQFPEFDADJJTH-GOSISDBHSA-N 405.454 3.476 0 40 HGAB Cc1nc(CN(C)C(=O)c2cc(C3CC3)on2)nc2c1CCC(=O)N2CCC(C)C 19698080 MMAAMKVTDARFJZ-UHFFFAOYSA-N 411.506 3.248 0 40 HGAB Cc1cc(S(=O)(=O)NCc2ccc(OC(C)C)cc2)ccc1N1CCCC1=O 20108160 IOJBQOAZOFPLMF-UHFFFAOYSA-N 402.516 3.388 0 40 HGAB O=C(c1cc(-c2ccc(Br)cc2)n[nH]1)N1CCN(c2ccccn2)CC1 21017099 BHHJUTUSTHYGFZ-UHFFFAOYSA-N 412.291 3.197 0 40 HGAB COc1ccc(OC[C@@H](O)CN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 22573385 YONNLLULYFWHBW-SFHVURJKSA-N 410.436 3.276 0 40 HGAB Cc1cc(C)cc(NC(=O)CSc2nnc3nc(O)c(Cc4ccccc4)nn23)c1 22720875 YIIOBSUZTVLHTK-UHFFFAOYSA-N 420.498 3.163 0 40 HGAB CCC1(CC)NC(=O)N(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)C1=O 22917999 UYWRKWYIMRJBNG-UHFFFAOYSA-N 420.557 3.462 0 40 HGAB COc1cccc(NC(=O)C[C@H]2C(=O)N(C[C@@H]3CCCO3)c3nc4ccccc4n32)c1 23382145 OUCCBZZXZNBTKX-PXNSSMCTSA-N 420.469 3.140 0 40 HGAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc(OC)c3)CC2)cc1 23652121 KILFTEUTVDEBFG-UHFFFAOYSA-N 418.515 3.133 0 40 HGAB Cc1ccc([C@@](O)(CCNC(=O)N2CCN(c3ccccc3)CC2)C(F)(F)F)o1 26289203 KUQAZKRAOZJQIG-IBGZPJMESA-N 411.424 3.260 0 40 HGAB O=C(NCCc1ccc(C(F)(F)F)cc1)NC1CCN(C(=O)c2ccco2)CC1 32802770 MFTZXXVURSGDQP-UHFFFAOYSA-N 409.408 3.445 0 40 HGAB CCOc1ccc(S(=O)(=O)NCCC(=O)N2CC=C(c3ccccc3)CC2)cc1 32994430 ZAMJNSVRNXQEKW-UHFFFAOYSA-N 414.527 3.070 0 40 HGAB CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N[C@@H](C)CC)cc2)cc1 33713929 YLGBTDHZFIIALY-HNNXBMFYSA-N 406.504 3.180 0 40 HGAB C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@H]2C(=O)C[C@@]2(C)[C@@H]1CC[C@@]21OCO[C@]12COCO2 34781672 ZQDVAXPMAQYWLD-OJWFVVNNSA-N 404.503 3.221 0 40 HGAB biogenic COC(=O)[C@@H](CCSC)NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccccc1Cl 36584941 SVJDYRSDTMPDNG-WBVHZDCISA-N 422.938 3.015 0 40 HGAB C[C@@H]1CCCC[C@@H]1NC(=O)CC[C@H]1N=C(O)N(CCc2c[nH]c3ccccc23)C1=O 36601805 JCHMEGONFIBRDV-MOXGXCLJSA-N 410.518 3.310 0 40 HGAB biogenic O=S(=O)(NCCN1CCO[C@@H](c2ccccc2)C1)c1cc(Cl)ccc1Cl 36700131 LLIDONQTMQHGFJ-QGZVFWFLSA-N 415.342 3.345 0 40 HGAB CCC(=O)N1CCc2cc([C@H](O)CN3CCC[C@](O)(c4ccccc4OC)C3)ccc21 36740058 BYBQVVZADSKVRJ-RCZVLFRGSA-N 424.541 3.011 0 40 HGAB O=C(NCc1cccnc1)C1CCN(C(=O)c2ccc(Br)cc2F)CC1 40087175 PUQZKLJXRGLUFA-UHFFFAOYSA-N 420.282 3.152 0 40 HGAB Cc1cccc(-c2noc(CN(Cc3cccs3)[C@@H]3CCS(=O)(=O)C3)n2)c1 40088716 XWYFUSCIDMWNGH-MRXNPFEDSA-N 403.529 3.296 0 40 HGAB O=C(NCCc1cccc(Cl)c1)[C@@H]1CCCCN1S(=O)(=O)c1cccs1 40120094 OPXWLOQBRRUIEF-INIZCTEOSA-N 412.964 3.304 0 40 HGAB Cc1cc(C)n2nc(CC(=O)Nc3ncc(Cc4ccc(C)c(F)c4)s3)nc2n1 40133431 LIPMQFNDJBRLEO-UHFFFAOYSA-N 410.478 3.417 0 40 HGAB O=C(Cc1csc(Cc2cccc(Cl)c2)n1)N1CCN(c2ncccn2)CC1 41751787 LDSZUTDLPVZIEK-UHFFFAOYSA-N 413.934 3.069 0 40 HGAB CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2cc(-c3nnco3)ccc2C)c1 47326889 NAYGHLMQRZKZKV-UHFFFAOYSA-N 414.487 3.328 0 40 HGAB CCC(=O)Nc1ccc2c(c1)c(=O)n(-c1ccccc1)n2CC(=O)NC1CCCC1 49400989 UFDBWUGTSHIXKT-UHFFFAOYSA-N 406.486 3.200 0 40 HGAB O=C(c1ccco1)N1CCN(c2ccc(NC(=O)C(F)(F)F)cc2Cl)CC1 57316812 MDRQDCIMVLPEKB-UHFFFAOYSA-N 401.772 3.396 0 40 HGAB CC(C)CCNC(=O)Cn1c(=O)n(-c2cccc(Cl)c2)c(=O)c2sccc21 57491406 PQWIWJGEAUSRLS-UHFFFAOYSA-N 405.907 3.030 0 40 HGAB O=C(NCCc1nc2c(s1)CCCC2)[C@@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 58171458 QTAVYMOCZJRNBG-QGZVFWFLSA-N 409.555 3.222 0 40 HGAB O=C(C1CCN(c2ccnc3ccc(Br)cc23)CC1)N1CCOCC1 58248877 CGJIWWGQMSVWNT-UHFFFAOYSA-N 404.308 3.073 0 40 HGAB CCC(=O)N(C)c1nc2ccccc2n(CC(=O)Nc2c(C)cccc2CC)c1=O 64987597 QXCNWBWAGFUDLS-UHFFFAOYSA-N 406.486 3.279 0 40 HGAB O=C(NCc1ccc(F)cc1)c1cn(-c2cc(-c3nc(C4CC4)no3)ccn2)cn1 71768430 OAZYCNVRSLUMAC-UHFFFAOYSA-N 404.405 3.264 0 40 HGAB CCC(=O)N[C@H]1CCCN(CCCCCCCCN2CCC[C@@H](NC(=O)CC)C2)C1 72309140 HIYWXYLCDYSCNM-SZPZYZBQSA-N 422.658 3.308 0 40 HGAB C[C@H]1CCC[C@@H](C)N1C(=O)CN1C(=O)N2CCCN=C2c2cnn(-c3ccccc3)c21 72335755 JPMFVIHURRYCOX-CALCHBBNSA-N 420.517 3.054 0 40 HGAB Cc1nn(C)cc1S(=O)(=O)N1CCC[C@@H](c2cccc(-c3ccccc3F)n2)C1 72350138 OUNOOUPZOMZCMG-MRXNPFEDSA-N 414.506 3.498 0 40 HGAB Cc1nc([C@@H]2CCN(C(=O)c3c[nH]nc3C)C2)ncc1C(=O)Nc1ccc(Cl)cc1 72351975 YXJUHBWJTYLCDH-CQSZACIVSA-N 424.892 3.352 0 40 HGAB Cn1nc([C@H]2CCCN(C(=O)c3ccc4cc[nH]c4c3)C2)n(-c2ccccc2)c1=O 77149804 AOPDYXWIWZDDHZ-SFHVURJKSA-N 401.470 3.072 0 40 HGAB O=C(NCCn1nc(C2CC2)n(-c2ccccc2)c1=O)c1ccccc1C(F)(F)F 77197964 VEGCWNYMDBTFOZ-UHFFFAOYSA-N 416.403 3.360 0 40 HGAB COC(=O)c1cc(NC(=O)c2cccn2Cc2cccs2)cc(S(C)(=O)=O)c1 79102672 MWOMLENQJLYNRI-UHFFFAOYSA-N 418.496 3.040 0 40 HGAB COc1ccc([C@@H](C)NC(=O)N[C@H](C)c2cccc(NS(C)(=O)=O)c2)cc1OC 89905256 ZMCWMEZTJPLSAN-ZIAGYGMSSA-N 421.519 3.197 0 40 HGAB CN1C(=O)C[C@H](NC(=O)c2ccc(NC(=O)C3CC3)cc2)[C@@H]1c1ccc(Cl)cc1 95454079 SPSFQRACDIQXGA-ICSRJNTNSA-N 411.889 3.390 0 40 HGAB COc1ccccc1CNC(=O)c1cc(-c2cnc(N(C)C)nc2)cn1CC1CC1 96037642 ATCKIARISHOLLI-UHFFFAOYSA-N 405.502 3.360 0 40 HGAB O=C(C[C@H]1CC2(CCN(C(=O)c3cnccn3)CC2)c2ccccc21)NCC1CC1 96052686 TVUHCZJFJVQWMP-SFHVURJKSA-N 404.514 3.054 0 40 HGAB O=C(C[C@H]1CC2(CCN(Cc3ccncc3)CC2)c2ccccc21)N1CCOCC1 96052820 SUPOOBCHTHODBM-NRFANRHFSA-N 405.542 3.352 0 40 HGAB CCN(CC)CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cnn(CC)c1 97143809 NWLXWUDGAKKCBN-UHFFFAOYSA-N 418.485 3.459 0 40 HGAB CC(C)Cc1cc(C(=O)N2CCN(Cc3ccc(Br)s3)CC2)[nH]n1 97358361 PMKQDJKOXNZSCI-UHFFFAOYSA-N 411.369 3.390 0 40 HGAB Cc1ccc(C(=O)[C@H]2[C@H]3C(=O)N(c4cc(C)cc(C)c4)C(=O)[C@@H]3[C@H]3CCCN32)cc1 101345992 IWNOZIKSIZMADR-YUMYIRISSA-N 402.494 3.447 0 40 HGAB CSCC[C@H](C(=O)N[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2)N1C(=O)c2ccccc2C1=O 102261340 OOYIRTLAQXDRPN-BHCCHWJASA-N 400.544 3.345 0 40 HGAB O=C(CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)Nc1nc(-c2c[nH]c3ccccc23)cs1 102933909 SOLBHBUIKLNSMP-KFMSBCHRSA-N 418.478 3.037 0 40 HGAB O=C(Nc1ccc(F)c(F)c1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 219751567 GENQMLJPWNYCES-INIZCTEOSA-N 400.834 3.410 0 40 HGAB COc1cccc(N([C@H](C)C(=O)NCCSC2CCCCC2)S(C)(=O)=O)c1 220167782 SGDDNWSSRCCQTN-OAHLLOKOSA-N 414.593 3.032 0 40 HGAB C[C@@H](C(=O)NCc1ccc2ccccc2c1)N(c1ccccc1F)S(C)(=O)=O 222806597 QMGUBWQUGBSMQV-HNNXBMFYSA-N 400.475 3.450 0 40 HGAB CCCSc1nnc(NS(=O)(=O)c2ccc3c(c2)CCCN3C(C)=O)s1 223332038 LFZAIVZOXHKLQL-UHFFFAOYSA-N 412.562 3.140 0 40 HGAB Cc1ccc2c(c1)O[C@H](C(=O)N[C@@H](C)c1cc(C)c(C)cc1C)CN2S(C)(=O)=O 223468003 XCBJFDUXTPYFHH-UWJYYQICSA-N 416.543 3.325 0 40 HGAB COc1ccccc1[C@H](C)NC(=O)[C@@H](C)N(c1cc(C)cc(C)c1)S(C)(=O)=O 224147591 SEOPKDSAANCWBU-DLBZAZTESA-N 404.532 3.344 0 40 HGAB CC[C@H](C(=O)NCCOc1ccccc1C)N(c1ccc(C)cc1)S(C)(=O)=O 224303982 LYAHCMIRHAMGKF-LJQANCHMSA-N 404.532 3.043 0 40 HGAB CS(=O)(=O)N(CC(=O)NCCc1ccc(Cl)cc1)Cc1ccccc1Cl 225096062 UQCSALBVIFZQIT-UHFFFAOYSA-N 415.342 3.114 0 40 HGAB CNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)Cc1ccc(C)cc1 225491390 QSCIETDFRUVIFO-HNNXBMFYSA-N 403.320 3.463 0 40 HGAB COc1ccc2c(c1)CCC[C@@H]2NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 225570962 KIPAFEJVLNHGNP-NRFANRHFSA-N 414.527 3.287 0 40 HGAB COc1ccc(OCC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NC(C)C)cc1 225574666 RNQLUXWVHWGYLI-INIZCTEOSA-N 402.466 3.155 0 40 HGAB COc1ccc([C@H](C)NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)cc1 226082612 MKHPAVIEJSBFHI-DOTOQJQBSA-N 420.506 3.112 0 40 HGAB O=C(NC(c1ccccc1)c1ccccc1)N1CC(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)C1 238838018 HEHKGNPVIHXPJC-OYRHEFFESA-N 415.493 3.121 0 40 HGAB O=C(c1ccc(Oc2nccs2)cc1)N1CCC(N2C(=O)CSC2=O)CC1 244969178 HCRMXVOZKUITBP-UHFFFAOYSA-N 403.485 3.235 0 40 HGAB CC(=O)c1ccc(S(=O)(=O)N2C[C@@H]3CCC[C@](O)(c4ccc(F)cc4)[C@H]3C2)cc1 253385940 UZYZCQFWDQHAPT-HSQYWUDLSA-N 417.502 3.337 0 40 HGAB CC(C)(C)C(=O)N1CCC(COc2ccc(F)cc2)(CC(=O)N2CCOCC2)CC1 257250584 JNDNIAMPFNQTGA-UHFFFAOYSA-N 420.525 3.108 0 40 HGAB CCOc1ccccc1-c1cc(C(=O)N2CCC[C@@]3(C)[C@H]2CCCN3C(C)=O)[nH]n1 257342716 ZPVZNTQSPLMHGA-GGAORHGYSA-N 410.518 3.481 0 40 HGAB COc1ccc(N([C@@H](C)C(=O)N[C@H](C)c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 260452931 AMVKGUTTXKCPGZ-SJORKVTESA-N 404.532 3.344 0 40 HGAB Cn1nccc1[C@@H]1CN(Cc2ccco2)C[C@]12CCCN(Cc1ccccc1)C2=O 306132897 LVNMUJPGWVUTTO-XUZZJYLKSA-N 404.514 3.422 0 40 HGAB Cn1c(C(=O)NC[C@H]2CC3(CCN(Cc4ccncc4)CC3)O2)cc2ccccc21 306137498 QXTYIOCBDKXXJR-HXUWFJFHSA-N 404.514 3.127 0 40 HGAB C[C@]1(c2ccccc2)CCCN(C(=O)NCc2ccc([C@@]3(C)NC(=O)NC3=O)cc2)C1 502764235 VMHCCEOHEGFFIY-BJKOFHAPSA-N 420.513 3.005 0 40 HGAB O=C(c1c(Cl)cncc1Cl)N1CCN([C@@H]2CCN(Cc3ccccc3)C2)CC1 519771672 CWJABHQDVLMMKL-QGZVFWFLSA-N 419.356 3.421 0 40 HGAB O=C(c1ccnc(F)c1)N1CCO[C@H](c2ncn3cc(-c4cccnc4)ccc23)C1 585113152 PMEJGPZIGIFQSG-IBGZPJMESA-N 403.417 3.144 0 40 HGAB CCCN1CCN(C(=O)C(C)(C)N)C[C@@H](Cc2ccccc2-c2ccccc2)C1=O 585183575 BZDSDJFPSZYUFI-OAQYLSRUSA-N 407.558 3.330 0 40 HGAB Cc1ccc(Cl)c(OCC2(O)CCN(CC(=O)NCc3ccc(F)cc3)CC2)c1 585272019 DVVZQHZJGOCHSV-UHFFFAOYSA-N 420.912 3.310 0 40 HGAB COC(=O)c1ccc(OC)c(S(=O)(=O)NC[C@H](c2ccsc2)c2ccco2)c1 670359506 TXERQIBLCABTPX-OAHLLOKOSA-N 421.496 3.247 0 40 HGAB Cc1ccccc1-c1ccc(N2CCN(Cc3nnc(C(F)(F)F)o3)CC2)nn1 1775975381 FXDWJGIYCQSXLT-UHFFFAOYSA-N 404.396 3.176 0 40 HGAB O=C(CN1CCC[C@]2(CCCN(C(=O)Nc3ccc(F)c(F)c3)C2)C1)N1CCCC1 2056223851 HQIAJNUXDJFLEI-QFIPXVFZSA-N 420.504 3.297 0 40 HGAB COc1ccc(CNC(=O)[C@@H](C(=O)c2ccc(F)cc2)n2cc(C)ccc2=O)cc1 819545 ZMKFAPFETQUEQF-OAQYLSRUSA-N 408.429 3.045 0 40 HGAB Cc1ccc2[nH]c(=O)c(CN(CCO)C(=O)c3ccc(Br)cc3)cc2c1 1359151 PGGSOAKBMKWWQY-UHFFFAOYSA-N 415.287 3.234 0 40 HGAB CCOc1ccccc1NC(=O)COC(=O)C[C@H](NC(N)=O)c1ccc(Cl)cc1 2661364 ZNFJFOFNHYDWHC-INIZCTEOSA-N 419.865 3.020 0 40 HGAB O=C(Nc1ccccc1)c1cccc(S(=O)(=O)N2CCC(=O)[C@H]3CCCC[C@@H]32)c1 4580390 YSOVLEWWDMPKDH-PMACEKPBSA-N 412.511 3.461 0 40 HGAB CCN(Cc1nc(-c2ccc(OC)c(OC)c2)no1)C(=O)Cc1ccc(OC)cc1 4943592 WTRNZKYNNDLAJL-UHFFFAOYSA-N 411.458 3.354 0 40 HGAB Cc1ccc2c(c1)cc(CN(C(=S)NC[C@H]1CCCO1)C1CCCC1)c1nnnn12 4985248 NWXKMTCWQIUVCH-LJQANCHMSA-N 424.574 3.384 0 40 HGAB CC1CCN(C(=O)[C@@H](C)Sc2nc3ccccc3c(=O)n2C[C@H]2CCCO2)CC1 5129731 WBMYFZAZAINJIH-IAGOWNOFSA-N 415.559 3.315 0 40 HGAB Cc1ccccc1NC(=O)COc1ccc(N2C[C@H](C(=O)NCC(C)C)CC2=O)cc1 6238487 YWAGEZVYBQZYFG-GOSISDBHSA-N 423.513 3.138 0 40 HGAB O=C(Nc1nc2c(s1)CN(Cc1ccccc1)CC2)[C@H]1COc2ccccc2O1 6609547 MEUJDRWRFVGNGQ-LJQANCHMSA-N 407.495 3.480 0 40 HGAB Cc1c(OCC(=O)N2CCN(c3ccccc3)CC2)ccc2c3c(c(=O)oc12)CCC3 6660815 GJDOLEQARWUSSG-UHFFFAOYSA-N 418.493 3.318 0 40 HGAB O=S(=O)(NCc1ccc2c(c1)OCO2)c1ccc(Br)cc1Cl 7307774 RNNYEWYHEHFCMO-UHFFFAOYSA-N 404.669 3.310 0 40 HGAB COc1cc(OC)cc(C(=O)Nc2ccc(-n3c(C)nc4ncccc4c3=O)cc2)c1 7508625 FCMGFYRZTCJULM-UHFFFAOYSA-N 416.437 3.359 0 40 HGAB COc1ccccc1N1CCN(C(=O)c2nn(-c3cccc(Cl)c3)nc2C)CC1 7737405 CSEMBCNSLFJBDI-UHFFFAOYSA-N 411.893 3.200 0 40 HGAB Cc1nn(-c2ccccc2)c(C)c1CN(C)CC(=O)Nc1ccc2c(c1)OCCO2 7978349 WRKUTMYKZCPHBK-UHFFFAOYSA-N 406.486 3.331 0 40 HGAB CC(C)[C@H](NC(=O)CNC(=O)c1ccccc1Cl)c1ccc2c(c1)OCCO2 8124543 ASSUVNGJVQEEEM-FQEVSTJZSA-N 402.878 3.355 0 40 HGAB COc1cc(NC(=O)CCc2c(C)c3ccc(O)cc3oc2=O)cc(OC)c1OC 8879294 JNCHYSKLMOZNQG-UHFFFAOYSA-N 413.426 3.404 0 40 HGAB biogenic Cc1n[nH]c(-c2ccc(OCCN3CCC(C(N)=O)CC3)cc2O)c1-c1ccccc1 8996559 DOGHWZRQPBSZBE-UHFFFAOYSA-N 420.513 3.334 0 40 HGAB O=c1[nH]nc(Sc2ncnc3sc4c(c23)CCCCC4)n1C[C@H]1CCCO1 9119941 OCKGRRKBPZIHPO-LLVKDONJSA-N 403.533 3.175 0 40 HGAB CCOc1ccc(N2C(=O)/C(=C/c3cc(OC)c(OC)cc3OC)NC2=S)cc1 9189173 UTQVCRYHVJLJMW-YBEGLDIGSA-N 414.483 3.373 0 40 HGAB Cc1ccc(N(CC(=O)NCCSCc2ccccc2F)S(C)(=O)=O)cc1C 10280916 XXCSOTDCZROXKD-UHFFFAOYSA-N 424.563 3.258 0 40 HGAB CC(C)[C@H](NS(=O)(=O)c1cccs1)C(=O)Nc1ccc(N2CCCC2)cc1 10429325 CZKXLKFAWCGOHC-SFHVURJKSA-N 407.561 3.290 0 40 HGAB COc1ccc(-c2cc(COC(=O)Cn3cc(C(F)(F)F)ccc3=O)on2)cc1 11228454 ZYIKSEWOCXUMAQ-UHFFFAOYSA-N 408.332 3.274 0 40 HGAB C[C@@H](NC(=O)c1ccccc1Cl)C(=O)Nc1nc2cc3c(cc2s1)OCCO3 11751557 GZSDXOATTUAOSL-SNVBAGLBSA-N 417.874 3.478 0 40 HGAB COc1ccc(C2(C(=O)N3CCc4nc5ccccc5c(=O)n4CC3)CCCC2)cc1 12183986 MXXNMIRHXHLRQI-UHFFFAOYSA-N 417.509 3.302 0 40 HGAB COc1ccc([C@@H]2CCCCCN2S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1 12759557 VOYHUOHEWFZHIQ-IBGZPJMESA-N 401.488 3.171 0 40 HGAB Cc1cccc(C(=O)NCCC(=O)Nc2ccccc2I)c1 12817905 ZIVCBLDGZTVZAU-UHFFFAOYSA-N 408.239 3.358 0 40 HGAB CC(=O)N1CCCc2cc(S(=O)(=O)NCc3cccc(C(F)(F)F)c3)ccc21 12861381 OBRRFNKHCPOSGQ-UHFFFAOYSA-N 412.433 3.483 0 40 HGAB O=C(COC(=O)c1cn(-c2ccccc2C(F)(F)F)nn1)NC1CCCCCC1 12940724 XAFHWUIDLOFKNN-UHFFFAOYSA-N 410.396 3.282 0 40 HGAB O=C(Nc1ccc2c(c1)CCC2)C1CCN(S(=O)(=O)c2ccccc2F)CC1 14664915 QNMJPZYAZRHCKS-UHFFFAOYSA-N 402.491 3.354 0 40 HGAB Cc1cc2nc(COC(=O)c3ccccc3NC(=O)c3ccccc3F)cc(=O)n2o1 15772325 MOOKNZGNRANEPM-UHFFFAOYSA-N 421.384 3.344 0 40 HGAB C[C@@H](C(=O)NCc1ccccc1)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 16422278 ACDCNXGMJLWWQY-INIZCTEOSA-N 406.452 3.317 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc2nc(NC(=O)CN3CCCCCC3)sc2c1 16740521 YJKIWUQTGZJNGO-UHFFFAOYSA-N 424.592 3.141 0 40 HGAB O=c1c2cc(-c3cccs3)nn2ccn1Cc1nc(-c2ccc3c(c2)OCO3)no1 16842800 QOTOZERWHFHNII-UHFFFAOYSA-N 419.422 3.052 0 40 HGAB CCOc1cc(/C=c2\sc3nc4ccccc4n3c2=O)cc(Cl)c1OC(C)=O 17299795 VVHRTSJQRRDODN-YVLHZVERSA-N 414.870 3.434 0 40 HGAB Cc1ccc(O[C@H](C)C(=O)N2CCC(c3nc(-c4nccs4)cc(=O)[nH]3)CC2)cc1 19210820 BDOIQNMLNPOIET-OAHLLOKOSA-N 424.526 3.375 0 40 HGAB CCNC(=O)[C@]1(Cc2ccccc2-c2cncnc2)CCCN(C(=O)CC(C)C)C1 19528505 QYONKVSKODFLQK-DEOSSOPVSA-N 408.546 3.477 0 40 HGAB CC(C)(C(=O)N1CCO[C@@H](c2ccc(-c3cnc(N)nc3)cn2)C1)c1cccc(F)c1 19693566 KMNZCVVZIXBDRC-HXUWFJFHSA-N 421.476 3.138 0 40 HGAB O=C(Nc1cnn(Cc2ccccc2F)c1)[C@H](c1ccc(F)cc1)N1CCOCC1 19717098 HOQLSNVNWQZIGG-NRFANRHFSA-N 412.440 3.222 0 40 HGAB O=C(CN1c2ccccc2-c2ccccc2S1(=O)=O)Nc1ccc2c(c1)OCCO2 20063158 IKPJMIWOWXXPNG-UHFFFAOYSA-N 422.462 3.272 0 40 HGAB COc1ccc(/C=C\C(=O)NCc2cc(-c3ccc4c(c3)OCO4)on2)cc1OC 22768822 KRTBZESYAMQLLS-YWEYNIOJSA-N 408.410 3.417 0 40 HGAB Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)Nc1ccccc1-c1cccs1 23191177 LFAXVFBBLBOVTE-UHFFFAOYSA-N 424.526 3.215 0 40 HGAB Cc1cc(=O)c(C(=O)N2CCC([C@@H](O)c3ccccc3)CC2)nn1-c1ccccc1F 23385158 ULPVOAXGHSEIKN-QHCPKHFHSA-N 421.472 3.266 0 40 HGAB CCc1c(C(=O)NCC(C)(C)N2C[C@H](C)O[C@@H](C)C2)cnn1-c1ccc(F)cc1 24690560 MHWRJUSVSOWJFG-HOTGVXAUSA-N 402.514 3.191 0 40 HGAB O=C(c1nc(Cl)ccc1Cl)N1CCN(Cc2nc(-c3cccs3)no2)CC1 25608968 HSOVEGCTBCICJV-UHFFFAOYSA-N 424.313 3.458 0 40 HGAB Cc1cccc(N2CCN(CC[C@H](C)NS(=O)(=O)c3cccc(F)c3)CC2)c1 30439702 BOQOCBUPGJCBSW-SFHVURJKSA-N 405.539 3.013 0 40 HGAB O=C(COc1cccc(Br)c1)N[C@@H](CN1CCOCC1)c1ccccc1 30538960 MBRBGULNAAUWBW-IBGZPJMESA-N 419.319 3.018 0 40 HGAB COc1ccc(CNC(=O)c2ccc3c(=O)n(-c4ccccc4OC)cnc3c2)cc1 32090050 JJVVBRLWYLIZBV-UHFFFAOYSA-N 415.449 3.333 0 40 HGAB COC(=O)c1ccc2[nH]c3c(c2c1)CN(C(=O)C1CCN(CC(F)(F)F)CC1)CC3 32933215 JVTCOYMGGXZUPQ-UHFFFAOYSA-N 423.435 3.114 0 40 HGAB COc1ccc(-c2cc(C(=O)N3CCN(c4ccccc4OC)CC3)n(C)n2)cc1 35276876 QFXBEURTZWDEGR-UHFFFAOYSA-N 406.486 3.067 0 40 HGAB Cc1c2c(C(F)(F)F)cc(=O)n(CCC(=O)Nc3ccc(F)c(F)c3)c2nn1C 36621497 UVMGPRHRYNUXCD-UHFFFAOYSA-N 414.334 3.369 0 40 HGAB O=C(CCC(=O)c1ccccc1)NC[C@H](c1ccccc1Cl)N1CCOCC1 40080624 AKIVZEOKKROSIU-HXUWFJFHSA-N 400.906 3.493 0 40 HGAB CCOc1ccc(NC(=O)CNC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 47219395 MPNXESHBXJJWPK-UHFFFAOYSA-N 410.257 3.086 0 40 HGAB COc1ccccc1Nc1ncccc1C(=O)NCc1cccnc1-n1cccn1 48261614 GFAYNFYZLPQYFJ-UHFFFAOYSA-N 400.442 3.345 0 40 HGAB NC(=O)c1cn(CC(=O)NC[C@H](c2cccc(Cl)c2)N2CCCC2)c2ccccc12 48285980 BWBXLELUHSBVTQ-OAQYLSRUSA-N 424.932 3.347 0 40 HGAB CCc1ccc([C@@H](C)NC(=O)C(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)cc1 48355353 KSVANXMVCZEYLR-GFCCVEGCSA-N 408.907 3.122 0 40 HGAB CCCS(=O)(=O)N1CCC(C(=O)N[C@@H](C)c2cccc(C(F)(F)F)c2)CC1 49462049 HOBKNRGZHBLADT-ZDUSSCGKSA-N 406.470 3.334 0 40 HGAB Cc1ccc(C)c([C@@H]2NC(=O)N(CC(=O)NCCC3=CCCCC3)C3=C2C(=O)OC3)c1 67288639 OYOWNQJFVNLSLX-QFIPXVFZSA-N 423.513 3.187 0 40 HGAB C[C@@H](NC(=O)N1CCN(c2ccc(F)cc2)CC1)C(=O)Nc1ccc2[nH]ccc2c1 71328982 WFKXRBJKAXXEDX-OAHLLOKOSA-N 409.465 3.166 0 40 HGAB CC(C)CC(=O)N1CCC[C@@H](c2nc(N3CCN(C)CC3)ncc2-c2ccncc2)C1 72348019 RNCNPLUTJYFCEE-HXUWFJFHSA-N 422.577 3.043 0 40 HGAB CCN(CC)S(=O)(=O)N1CC[C@H](c2cc(Cc3cccc(F)c3)cc(C)n2)C1 72374759 DHVTVOQWFMDMSJ-IBGZPJMESA-N 405.539 3.496 0 40 HGAB COc1ccc(CC(=O)N2CCCC[C@@H]2c2cc(C(=O)NC3CCCC3)[nH]n2)cc1 72380690 QDENDQNFOMVYBD-OAQYLSRUSA-N 410.518 3.387 0 40 HGAB Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)CSc3ccccc3)CC2)c(C)c1 89568827 JNLMOHXQAWJAKE-UHFFFAOYSA-N 418.584 3.237 0 40 HGAB C[C@H](NC(=O)CN1CCC[C@H]1CN1C[C@@H](C)O[C@H](C)C1)c1ccc2c(c1)CCCC2 95373519 HKPHTTBPOFZVSX-FDGPYGQJSA-N 413.606 3.316 0 40 HGAB CCN(CC)CCCNC(=O)c1cc2c(c3ccccc3n2C)n1-c1ncccn1 96037297 KSFUMVSYDXQXMQ-UHFFFAOYSA-N 404.518 3.374 0 40 HGAB COc1ccc(-c2cc(N3CCN(C(=O)c4cccc(OC)c4OC)CC3)[nH]n2)cc1 98212546 RRKRHNNMEWIVGQ-UHFFFAOYSA-N 422.485 3.065 0 40 HGAB CC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@@H]5ON=C(c6ccc(C)cc6)[C@H]54)[C@H]3C2=O)cc1 100204638 LIHHUAIRASNQRP-UKAHIYEMSA-N 414.461 3.372 0 40 HGAB O=C1C[C@@H](Sc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2)[C@H]2CO[C@H]1O2 102998757 PBCOBQHRAKETTK-NFAWXSAZSA-N 400.353 3.477 0 40 HGAB CCOC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(NC(C)=O)cc1 113870624 QFIYEUUOLPHIAX-UHFFFAOYSA-N 410.879 3.057 0 40 HGAB C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2[C@H](O)C[C@]2(C)[C@@H](c3ccc(=O)oc3)C[C@@H](O)[C@@H]12 118928236 BOZCCNBSFTVVSL-HBLNELJOSA-N 402.531 3.069 0 40 HGAB O=C(O)c1ccc(NCCc2ccccc2)c(S(=O)(=O)NCc2ccco2)c1 217494364 UGQQNVRZGKIOOZ-UHFFFAOYSA-N 400.456 3.111 0 40 HGAB CC[C@@H](C(=O)Nc1cc(OC)ccc1OC)N(c1ccccc1F)S(C)(=O)=O 220587566 FXVJLPFUVMFMIB-INIZCTEOSA-N 410.467 3.026 0 40 HGAB CC[C@@H](C(=O)N[C@@H]1CCCc2ccccc21)N(c1ccc(OC)cc1)S(C)(=O)=O 220656722 NXYXLVPCHHEISP-RTWAWAEBSA-N 416.543 3.434 0 40 HGAB COCCCN(Cc1ccc(C(=O)O)o1)C(=O)c1ccc2c(c1)nc(Cl)n2C 222553013 VCFOIFMRQJDAGE-UHFFFAOYSA-N 405.838 3.197 0 40 HGAB COCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1C[C@@H]1CCCO1 223047086 JMDQHMYQOQEKLZ-DBVUQKKJSA-N 400.548 3.071 0 40 HGAB CCCC(=O)N(Cc1ccc(F)cc1)[C@H](Cc1ccccc1)C(=O)NCCCO 223196966 SKIYBARROQEOJV-OAQYLSRUSA-N 400.494 3.064 0 40 HGAB Cc1ccc2c(c1)O[C@@H](C(=O)N[C@@H](C)c1cc(C)c(C)cc1C)CN2S(C)(=O)=O 223467960 XCBJFDUXTPYFHH-LAUBAEHRSA-N 416.543 3.325 0 40 HGAB CCCOc1ccc(N(CC(=O)NC(C)(C)Cc2ccccc2)S(C)(=O)=O)cc1 224108847 YWVXJQKBSRCMFC-UHFFFAOYSA-N 418.559 3.379 0 40 HGAB Cc1ccc2c(c1)[C@@H](NC(=O)CN(C)S(=O)(=O)c1ccccc1)CC(C)(C)O2 225173615 QCLCAXASZOEUEU-SFHVURJKSA-N 402.516 3.034 0 40 HGAB CCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)COc1ccc(OC)cc1 225423409 ZHJPOIOQCONVFT-QFIPXVFZSA-N 412.530 3.450 0 40 HGAB Cc1ccc2c(c1)[C@@H](NC(=O)c1cccc(S(=O)(=O)N(C)C)c1)CC(C)(C)O2 225423585 DTFYLOQBBVVSOY-SFHVURJKSA-N 402.516 3.278 0 40 HGAB O=S(=O)(c1ccccc1Br)N1CC[C@@H](c2ccc3c(c2)OCO3)C1 225678630 AYAVNSIBHDGCBW-CYBMUJFWSA-N 410.289 3.356 0 40 HGAB NC(=O)c1c(NC(=O)[C@@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)O)sc2c1CCc1ccccc1-2 239203354 SEYHZYZQXTWQKY-WRFANHODSA-N 422.506 3.464 0 40 HGAB O=C(O)c1nn(-c2cccc(Cl)c2)nc1N1CCN(c2ccccc2F)CC1 256047268 LNIJDNVOVBVXNC-UHFFFAOYSA-N 401.829 3.085 0 40 HGAB CC(C)NC(=S)Nc1nc(Sc2ncccn2)cc(N2CCCC[C@H]2C)n1 260732802 BMEFWWCWCKKBIJ-CYBMUJFWSA-N 403.581 3.491 0 40 HGAB CCCc1onc(C)c1C(=O)N1CC2(C[C@@H](COCc3ccncc3)CCN2C)C1 306126274 DRFNZRUMIOSPKJ-IBGZPJMESA-N 412.534 3.084 0 40 HGAB O=S1(=O)c2ccc(-c3ccncc3)cc2[C@H]2CN(Cc3ccc4c(c3)OCO4)C[C@H]21 306140221 UNHUNLMPYNPRES-AUSIDOKSSA-N 420.490 3.233 0 40 HGAB O=C(N[C@@H]1C(=O)N/[N+](=C\c2ccccc2)[C@@H]1c1ccc(Cl)cc1)c1ccc(F)cc1 409053635 GPLCAAAEVGAVON-IQUGWNQFSA-O 422.867 3.495 0 40 HGAB O=S(=O)(Cc1noc2ccccc12)NCCc1nc2ccccc2n1C(F)F 545469562 VAKZFTSYMOXMKN-UHFFFAOYSA-N 406.414 3.235 0 40 HGAB Cc1ccc(CNCCN(Cc2ccc(C)cc2)[C@]2(C)CCS(=O)(=O)C2)cc1 575421422 QLULZKRLWHKNCE-HSZRJFAPSA-N 400.588 3.472 0 40 HGAB Cn1cc([C@H]2[C@H](CNC(=O)[C@@H]3C[C@@H]3c3ccc(F)cc3)CC(=O)N2C(C)(C)C)cn1 583621878 KEFSVENYZIEBAN-BQBKMSKFSA-N 412.509 3.167 0 40 HGAB C[C@@H](Cc1csc2ccccc12)NS(=O)(=O)c1ccc2oc(=O)n(C)c2c1 618257580 YHWUHJQUADRMQJ-LBPRGKRZSA-N 402.497 3.256 0 40 HGAB CCN(CC)C1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2OC(F)F)CC1 1116010510 WWMUPSPILSYYFH-SFHVURJKSA-N 423.504 3.225 0 40 HGAB O=C1CN2CCN(C(=O)C3CCCC3)C[C@H]2COc2ccc(-c3ccccc3)cc2N1 1775964233 XWGRYTOBYAXYSB-NRFANRHFSA-N 419.525 3.388 0 40 HGAB biogenic,in-vitro Clc1cnc(N2CCN(c3cc(C4CCOCC4)nc(C4CC4)n3)CC2)nc1 1888875784 OLRBQPCIHPKFFP-UHFFFAOYSA-N 400.914 3.018 0 40 HGAB COC1(CC(=O)N2CC[C@@]3(CCc4nc(-c5ccccc5)cc(=O)n4CC3)C2)CCC1 2055771825 CDLUUIHFPZDWGP-XMMPIXPASA-N 421.541 3.425 0 40 HGAB CCC(=O)Nc1ccc(NC(=O)CSc2nnnn2Cc2ccccc2)cc1C 1238138 OTQBHGLNMWZBCH-UHFFFAOYSA-N 410.503 3.109 0 40 HGAB Cc1cc(NC(=O)CSc2nnc([C@H](C)N(C)C)n2-c2ccc(F)cc2)no1 2620824 XBULRTYASXPCQP-LBPRGKRZSA-N 404.471 3.056 0 40 HGAB O=C(CN1C(=O)N[C@@H](CCc2ccccc2)C1=O)Nc1ccccc1C(F)(F)F 3303378 FWJJCWUKTVEGAP-INIZCTEOSA-N 405.376 3.197 0 40 HGAB CC(=O)N1[C@@H]2NC(=O)C[C@@]2(C)C[C@@H]1c1ccccc1OC(=O)c1ccc(Cl)nc1 4108732 FAJVUSBZVPZYMF-GQWLDOHISA-N 413.861 3.100 0 40 HGAB O=C(c1ccccc1Br)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 4183407 LVGZNRSVDYBFJU-GFCCVEGCSA-N 414.346 3.340 0 40 HGAB Cc1cccc(NC(=O)c2ccc(S(=O)(=O)N(C)C[C@H]3CCCO3)cc2)c1C 4348186 HTMQYISKYKHGLZ-GOSISDBHSA-N 402.516 3.355 0 40 HGAB O=C(Nc1ccc(F)cc1)c1ccc2c(=O)n(CCc3ccccc3)c(=O)[nH]c2c1 4791862 KKFUDQJWIAMKMU-UHFFFAOYSA-N 403.413 3.324 0 40 HGAB CCCCCOC(=O)C1=C(C)Nc2nnnn2[C@H]1c1ccc(Br)cc1 4879805 DRRQMOOKDNGHJF-HNNXBMFYSA-N 406.284 3.458 0 40 HGAB CCOc1ccccc1N1CCN(CCc2cc(OC)c(OC)c(OC)c2)CC1 5333254 LKOQFDAFCMJPIU-UHFFFAOYSA-N 400.519 3.476 0 40 HGAB COc1ccc2nc(C)cc(N3CCN(S(=O)(=O)c4ccccc4F)CC3)c2c1 6510455 OOKTUNYXLPGFGA-UHFFFAOYSA-N 415.490 3.202 0 40 HGAB C[C@H](NC(=O)COc1ccc(Br)cc1)c1ccc(-n2cncn2)cc1 6541019 QQPZCNSLFRPNLN-ZDUSSCGKSA-N 401.264 3.286 0 40 HGAB Cc1ccc2c(=O)c(C(=O)c3ccccc3)cn(CC(=O)NCc3ccccc3)c2n1 7004891 RPFSDRJKPDRNHL-UHFFFAOYSA-N 411.461 3.252 0 40 HGAB O=C(NC12CC3CC(CC(C3)C1)C2)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 7157923 HZCPSYXSEWRRMY-BUMILGAPSA-N 402.560 3.315 0 40 HGAB CCNC(=O)c1cccc(NC(=O)CN2CCC[C@H]2c2ccc(OC)cc2OC)c1 7742088 CEKZFVKKZZZZQT-FQEVSTJZSA-N 411.502 3.229 0 40 HGAB CCn1c(CNC(=O)c2ccccc2C)nn(CC(=O)Nc2ccccc2)c1=S 8089957 TWMHDOXECXMIEG-UHFFFAOYSA-N 409.515 3.311 0 40 HGAB Cc1ccc(C)c(-n2nc(C(=O)NCCO)nc2-c2ccc(Br)cc2)c1 8476739 NGXHSDSTRKDRRG-UHFFFAOYSA-N 415.291 3.036 0 40 HGAB Cc1cccc(NC(=O)CSc2nnc(-c3cc(-c4ccccc4)n[nH]3)n2N)c1 8968935 QZCFABJOMMLXST-UHFFFAOYSA-N 405.487 3.088 0 40 HGAB O=C(Cc1ccccc1)N[C@@]1(C(F)(F)F)N=C(O)N(c2ccccc2Cl)C1=O 8990437 GPZJUCFGIYPBGS-QGZVFWFLSA-N 411.767 3.218 0 40 HGAB CCCCn1nc(C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)c2ccccc2c1=O 9254008 VHKNKIQNVQQNAZ-HNNXBMFYSA-N 407.470 3.459 0 40 HGAB O=C(CN1C(=O)NC2(CCCC2)C1=O)NCc1ccc(-c2ccc(Cl)cc2)o1 9363986 SHDQQZBIZAOUGH-UHFFFAOYSA-N 401.850 3.081 0 40 HGAB Cn1c(COc2ccc(Cl)cc2)nnc1SCc1nnnn1-c1ccccc1 9637777 BJDUEORMMUDEJN-UHFFFAOYSA-N 413.894 3.316 0 40 HGAB COc1cc2c(cc1NC(=O)[C@H](C)Sc1nc(N)cc(=O)[nH]1)oc1ccccc12 9730417 LZDAJNSHBLWMSB-JTQLQIEISA-N 410.455 3.379 0 40 HGAB CCN(CC)c1ccc(-c2nnc(SCn3nnc4ccccc4c3=O)o2)cc1 9945311 ZUYXETMBURXXQO-UHFFFAOYSA-N 408.487 3.438 0 40 HGAB Cc1cccc(-c2n[nH]c(=S)n2CC(=O)NCc2ccccc2Cn2cccn2)c1 10235255 IUHIYMZELYYUJY-UHFFFAOYSA-N 418.526 3.477 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)N1c2ccccc2C[C@@H]1C 10449961 JFFWWBHHDCPJFM-INIZCTEOSA-N 414.527 3.461 0 40 HGAB CC(C)[C@H](NC(=O)CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O)c1cccs1 10611433 MNFGYRQNFGEPBM-PXNSSMCTSA-N 424.526 3.206 0 40 HGAB Cc1cccc(Nc2ccc(NCCNC(=O)c3ccc(Br)o3)nn2)n1 11697072 FODNVLCTCHBSMQ-UHFFFAOYSA-N 417.267 3.121 0 40 HGAB C[C@@H](SCc1ccc(Br)cc1)C(=O)N[C@H](C(N)=O)c1ccccc1 12051882 ZDLLHRSYJALONX-WBMJQRKESA-N 407.333 3.414 0 40 HGAB CCc1ccccc1N1C[C@@H](C(=O)O[C@@H](C)C(=O)N(C)C2CCCCC2)CC1=O 12095878 MYRVXSXDHQOSBW-WMZOPIPTSA-N 400.519 3.325 0 40 HGAB CC[C@@H](C)C(=O)N1CCC[C@H](c2nc(N3CCOCC3)ncc2-c2cccnc2)C1 12120623 FHOLDZSULCJUDA-MJGOQNOKSA-N 409.534 3.127 0 40 HGAB Cc1ccccc1[C@H](C)NC(=O)[C@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1 12851927 OXWDALIEFGSKCQ-IRXDYDNUSA-N 411.527 3.033 0 40 HGAB CC(=O)Nc1ccc(-c2csc(NC(=O)[C@H]3Cc4ccccc4C(=O)O3)n2)cc1 12862844 BNOJWJXPVBHFRI-GOSISDBHSA-N 407.451 3.489 0 40 HGAB Cc1nc(-c2ccccn2)sc1C(=O)Nc1ccccc1C(=O)N1CCOCC1 12883586 KJLIAKJWGRUYFW-UHFFFAOYSA-N 408.483 3.238 0 40 HGAB CCOc1ccc(C)cc1S(=O)(=O)Nc1ccc2c(c1)N(C(=O)C1CC1)CC2 13696981 FNTUZTNGJWZWQX-UHFFFAOYSA-N 400.500 3.494 0 40 HGAB COC(=O)C[C@@H](NC(=O)c1ccccc1C(=O)O)c1ccc(Br)cc1C 13943077 NQRZSTDRGCPYEI-MRXNPFEDSA-N 420.259 3.490 0 40 HGAB COc1ccc(N2C[C@H](c3nnc(NC(=O)c4cccc(OC)c4)s3)CC2=O)cc1 13944307 QTWSSLSNCXIWTM-CQSZACIVSA-N 424.482 3.328 0 40 HGAB Cc1noc(C)c1COc1cccc(C(=O)N2CCN(C(=O)c3ccco3)CC2)c1 14185197 IOKBAZHJTBGXQL-UHFFFAOYSA-N 409.442 3.062 0 40 HGAB CC(C)[C@H](NC(=O)c1ccc(S(C)(=O)=O)cc1)c1ccc2c(c1)OCCCO2 14636349 CLYZCMOESYCEMS-FQEVSTJZSA-N 403.500 3.379 0 40 HGAB Cc1ccc(SCCNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 14803391 KBOPGQTZOSQUEG-UHFFFAOYSA-N 404.557 3.302 0 40 HGAB CCc1ccc(NC(=O)CSc2nnc3nc(O)c(Cc4ccccc4)nn23)cc1 15882053 ZCILVAGCTDBZOK-UHFFFAOYSA-N 420.498 3.109 0 40 HGAB CC(=O)NC12C[C@H]3C[C@@H](C1)CC(C(=O)O[C@@H](C)C(=O)Nc1ccc(C)c(F)c1)(C3)C2 16826886 MQBHEISVGGKSKY-BXUWQIASSA-N 416.493 3.479 0 40 HGAB Cc1nc2c(sc3cccc(F)c32)c(=O)n1CC(=O)Nc1ccc2c(c1)OCO2 16843782 GLGZVZSDTYSPTO-UHFFFAOYSA-N 411.414 3.426 0 40 HGAB O=C(CSCc1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2ccccc2)CC1 17052276 VGWFKZGOQKIPGN-UHFFFAOYSA-N 424.975 3.106 0 40 HGAB CC(=O)Nc1cc2ccccc2nc1C1CCN(C(=O)CCCN2CCCC2=O)CC1 19022227 PTBDJFUXRURNSG-UHFFFAOYSA-N 422.529 3.302 0 40 HGAB Cc1ccc(C)c(C(=O)[C@H]([C@@H](c2ccccc2)N2CCOCC2)N2CCOCC2)c1 19366002 NJOYXILDEFCESZ-RPWUZVMVSA-N 408.542 3.260 0 40 HGAB COc1ccccc1C1=NO[C@@H](CC2(C(=O)NCCc3ccncc3)CCOCC2)C1 19569375 DABLKBYRVDAYDG-LJQANCHMSA-N 423.513 3.129 0 40 HGAB CN1C[C@H](C(=O)Nc2ccc(F)cc2)C[C@@H]1C1CCN(C(=O)c2cccnc2)CC1 19587613 CAJYOPVPQBDRQG-WIYYLYMNSA-N 410.493 3.032 0 40 HGAB COc1cc2c(cc1OC)N(C)S(=O)(=O)C(C(=O)Nc1cccc(C)c1)=C2C 20063931 DEQLVFFNJRCSAZ-UHFFFAOYSA-N 402.472 3.162 0 40 HGAB O=C([C@@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1)N1CCN(Cc2ccccc2)CC1 20613611 XTNHMHYHBQLPRY-QGZVFWFLSA-N 415.896 3.176 0 40 HGAB CCc1c(COC)nc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)[nH]c1=O 22448412 PDGGNAWAWHQGDC-UHFFFAOYSA-N 418.541 3.390 0 40 HGAB Cn1ncc2c(NC3CCCCC3)nc(N3CCN(Cc4ccccc4)CC3)nc21 22664717 ILZJCWNRBURSHZ-UHFFFAOYSA-N 405.550 3.430 0 40 HGAB CCN(CC)C(=O)c1cccc(NC(=O)[C@H]2CC(=O)N(CCc3ccccc3)C2)c1 23689434 KYHODJMHNMFADH-FQEVSTJZSA-N 407.514 3.198 0 40 HGAB Cc1ccc(CS(=O)(=O)N2CCC(C(=O)N(C)Cc3ccccc3)CC2)cc1 24609266 YHLOVXICCXXTND-UHFFFAOYSA-N 400.544 3.195 0 40 HGAB CCCCCOc1ccc(C(=O)CCC(=O)OCC(=O)NC(=O)c2ccc[nH]2)cc1 24829134 UQXXCYCXISROPJ-UHFFFAOYSA-N 414.458 3.046 0 40 HGAB C[C@H](c1ccccc1)N1CCN(C(=O)CSc2nnc(NC3CC3)s2)CC1 25317084 STVAAJYMJSNVQK-CQSZACIVSA-N 403.577 3.110 0 40 HGAB Cc1cc(NC(=O)[C@@H](c2ccccc2)N(C)Cc2nc3ccccc3c(=O)[nH]2)no1 27347170 YNLYSTPPDKTNBT-HXUWFJFHSA-N 403.442 3.031 0 40 HGAB C[C@H]1CCCN(S(=O)(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)C1 28082820 LRUKYMGEKUULNA-FQEVSTJZSA-N 413.587 3.370 0 40 HGAB COC(=O)c1ccc(NC(=O)COC(=O)c2cc(C)n(-c3cccnc3)c2C)cc1 30675744 VIOMFSDLHKIPGD-UHFFFAOYSA-N 407.426 3.071 0 40 HGAB COc1ccc(-c2nc(CN3CCN(C(=O)c4ccc(C)nc4)CC3)cs2)cc1 32760390 BRTPBCIYJQDJMV-UHFFFAOYSA-N 408.527 3.480 0 40 HGAB COc1ccc(OC)c([C@@H](C)NC(=O)C2CCN(C(=O)OCC(F)(F)F)CC2)c1 32869196 QVWNZOKXAOUUHW-GFCCVEGCSA-N 418.412 3.292 0 40 HGAB O=C(NC[C@@H]1CCCO1)c1ccc2c(=O)n(-c3cccc(C(F)(F)F)c3)cnc2c1 36359295 PFPUJJPUQDZYMK-INIZCTEOSA-N 417.387 3.313 0 40 HGAB C[C@H](NC(=O)Cc1cccc2ccccc12)C(=O)N1CCN(C)C[C@H]1c1ccccc1 36419437 CZHMCTYIYXQCGY-CYFREDJKSA-N 415.537 3.402 0 40 HGAB Cc1ccccc1NC(=O)CN1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 38291168 DEQCLFHLZZRZTG-UHFFFAOYSA-N 423.538 3.093 0 40 HGAB O=C1C[C@@]2(CC(c3ccccc3F)=NO2)C(=O)N1c1ccc(Br)cc1 40283120 CWZHXJQSRZNOSO-SFHVURJKSA-N 403.207 3.415 0 40 HGAB O=C(NCCOc1ccc(Cl)cc1)Nc1ccc(CN2C(=O)CCC2=O)cc1 44205950 VMRCHUJSGKUBPY-UHFFFAOYSA-N 401.850 3.190 0 40 HGAB CC[C@H]1CCCCN1C(=O)[C@@H](C)S(=O)(=O)Cc1cc(Cl)c2c(c1)OCO2 48253310 OTTSWEABXVPZGT-OCCSQVGLSA-N 401.912 3.163 0 40 HGAB COC(=O)c1cc(NC(=O)c2cccc(C(F)(F)F)c2)c(=O)oc1/C=C/N(C)C 49581135 GWEQNQAFRFEXPS-BQYQJAHWSA-N 410.348 3.230 0 40 HGAB CCOC(=O)C1=C(CN(CC)Cc2ccccc2)NC(=O)N[C@@H]1c1cccc(OC)c1 57414707 JHIMZJADXKPJKZ-JOCHJYFZSA-N 423.513 3.388 0 40 HGAB O=C(Cn1nc(-c2ccc(F)cc2)ccc1=O)NCc1ccccc1Br 67205791 GCYXSOQPOHJDLZ-UHFFFAOYSA-N 416.250 3.128 0 40 HGAB O=C(CCCOc1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2ccccc2)CC1 69285293 DDERFWPXTPEXTP-UHFFFAOYSA-N 422.934 3.032 0 40 HGAB Cc1nc(-c2ccsc2)sc1C(=O)N1CCC[C@H]1C(=O)N1CCSCC1 69379038 SODBNZISXPCBFD-AWEZNQCLSA-N 407.586 3.360 0 40 HGAB CN(C)c1ncc(-c2ccc(F)cc2)c([C@H]2CCCN(C(=O)c3ccnn3C)C2)n1 72376661 HHFCYRQZCZVFGU-INIZCTEOSA-N 408.481 3.102 0 40 HGAB O[C@H]1CC[C@@H](Cc2cc(COc3ccccc3)on2)O[C@@H]1CNCc1ccccc1 77262988 LJZPQJUMKHSQEA-OEMFJLHTSA-N 408.498 3.494 0 40 HGAB biogenic,in-vitro CCOC(=O)c1ccc(S(=O)(=O)Nc2cc(Br)ccc2O)cc1 79020403 XDVXDIQAHZIHPS-UHFFFAOYSA-N 400.250 3.132 0 40 HGAB Cc1ccc(S(=O)(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2C)cc1 89639159 XLZXDDCTUJXGJJ-UHFFFAOYSA-N 408.545 3.279 0 40 HGAB Cc1cc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]2C)n2nc(C(F)(F)F)nc2n1 95988733 NYKGSAIQBLRJDW-NWDGAFQWSA-N 414.432 3.286 0 40 HGAB O=C(Nc1cccc(S(=O)(=O)Nc2ccccc2)c1)N[C@H]1c2ccccc2C[C@H]1O 95996437 AUPMBKFYZOEWIO-RTWAWAEBSA-N 423.494 3.267 0 40 HGAB CCOC(=O)c1sc(NC(=O)c2ccc(-c3nnn(C(C)C)n3)cc2)nc1C 96223201 UQUPKKARGHJPHM-UHFFFAOYSA-N 400.464 3.115 0 40 HGAB CCN1C[C@@]2(CC1=O)CN(Cc1ccsc1)CCN(C(=O)Nc1ccccc1)C2 97952811 LQDQKSSPANQRNZ-JOCHJYFZSA-N 412.559 3.336 0 40 HGAB O=C(CCN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)Nc1nc(-c2ccccc2F)cs1 100773992 TXUMZDMMGQAFBT-GNTOHDJUSA-N 413.474 3.309 0 40 HGAB COc1cccc(-c2cc(C(F)(F)F)nc(S[C@H]3CC(=O)[C@H]4OC[C@H]3O4)n2)c1 102998769 BOIQZGSNLVRFNN-YCPHGPKFSA-N 412.389 3.346 0 40 HGAB CCc1ccccc1NC(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O 113943637 YEPVRYUXJKXUKI-UHFFFAOYSA-N 404.488 3.163 0 40 HGAB CC[C@H](NC(=O)[C@H](C)N(c1cccc(F)c1)S(C)(=O)=O)c1ccc(OC)cc1 113967622 KCUUXAVSPQPJRT-LIRRHRJNSA-N 408.495 3.256 0 40 HGAB O=S(=O)(NCCn1ccn2nc(-c3ccco3)cc12)c1ccc(C(F)(F)F)cc1 206751650 BSVOCLMYFWMQCE-UHFFFAOYSA-N 424.404 3.393 0 40 HGAB COC(=O)[C@@H]1C[C@H](Oc2ccccc2F)CN1C(=O)c1ccc(-n2cccc2)cc1 206800684 XFDNWWXOVCALPV-ICSRJNTNSA-N 408.429 3.452 0 40 HGAB COc1ccc(CN(C)C(=O)CCCN(c2ccccc2C)S(C)(=O)=O)cc1 222548943 CXTXNXTVCHYISM-UHFFFAOYSA-N 404.532 3.208 0 40 HGAB Cc1[nH]c(C)c([C@H]2[C@H](c3ccccn3)NC(=S)N2C)c1I 222726110 MZZLWNPJJZKVMS-KBPBESRZSA-N 412.300 3.233 0 40 HGAB COc1ccccc1CN(C)C(=O)CCCN(c1ccccc1C)S(C)(=O)=O 222769934 CMHLEEQSYDGQFS-UHFFFAOYSA-N 404.532 3.208 0 40 HGAB CCC(=O)N1CCc2cc(S(=O)(=O)NCCSCc3ccccc3)ccc21 224143224 IEJVFDLHCQAGHH-UHFFFAOYSA-N 404.557 3.197 0 40 HGAB CC[C@H](C(=O)NCCOc1ccc(C)cc1C)N(c1ccc(F)cc1)S(C)(=O)=O 224310687 OSZSSNAEHOHUAU-LJQANCHMSA-N 422.522 3.182 0 40 HGAB COc1ccc([C@@H](CC(C)C)NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1 225420945 RTCBVTUETNSPEC-HXUWFJFHSA-N 404.532 3.463 0 40 HGAB O=C(NCCCc1ccco1)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 225555863 XCIARONMOAWYBV-OAHLLOKOSA-N 410.923 3.083 0 40 HGAB CCOc1ccc(N(CC(=O)Nc2cccc(OC(C)C)c2)S(C)(=O)=O)cc1 408628651 ZLUJFNNWANSVOB-UHFFFAOYSA-N 406.504 3.277 0 40 HGAB Cc1ccc(O)c(C(=O)N2CCC3(CC2)CO[C@H](CN(C)Cc2cccnc2)C3)c1 585104785 SPNGSOSXQJXAFG-FQEVSTJZSA-N 409.530 3.239 0 40 HGAB c1nc(N2CC[C@H](N3CCCCC3)C2)nc(N2CC[C@@H](N3CCCCC3)C2)c1C1CC1 677955306 FOJRYMFQHSZZLE-YADHBBJMSA-N 424.637 3.483 0 40 HGAB Cc1cc(O[C@H](C)C(=O)N[C@H]2CC(=O)N(C(C)(C)C)C2)c2c(C)c(C)c(=O)oc2c1 1565524525 JTPQVMXTDQPOHK-CVEARBPZSA-N 414.502 3.001 0 40 HGAB COc1ccc2cc(CN(CCO)C(=S)Nc3cccc(Cl)c3)c(=O)[nH]c2c1 879662 JFOOWMCNQYGBBE-UHFFFAOYSA-N 417.918 3.381 0 40 HGAB Cc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)Nc2nccs2)cc1 949124 KORQQLPZJVYQLQ-SFHVURJKSA-N 413.524 3.206 0 40 HGAB CCNC(=S)N(Cc1ccc(F)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 4160471 NIZWAXBTFDSVDI-UHFFFAOYSA-N 413.474 3.293 0 40 HGAB CN(CC(=O)Nc1ccc(F)cc1)C(=O)COC(=O)C1(c2ccc(Cl)cc2)CC1 5014470 YFWGPKADAYXOIM-UHFFFAOYSA-N 418.852 3.151 0 40 HGAB COc1ccc(-n2nnc3c(=O)n(Cc4ccc(C(F)(F)F)cc4)cnc32)cc1 5033389 HZEQRATXWLXPSS-UHFFFAOYSA-N 401.348 3.053 0 40 HGAB CC1CCC2(CC1)NC(=O)N(CC(=O)NCCSc1ccc(Cl)cc1)C2=O 5313737 APGXIRNOGFXBKV-UHFFFAOYSA-N 409.939 3.049 0 40 HGAB COc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1[C@@H](NC=O)CC2 5567946 QWMGUEXZTDFFTR-HNNXBMFYSA-N 401.484 3.195 0 40 HGAB CCc1cc(C(=O)N2CCN(S(=O)(=O)c3cc(C)ccc3C)CC2)sc1C 5824006 UEMAGIQANDMURL-UHFFFAOYSA-N 406.573 3.382 0 40 HGAB CCc1ccccc1NC(=O)COC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 5878614 OWVPXEZURZEOHC-HNNXBMFYSA-N 400.862 3.437 0 40 HGAB Cc1ccc(NC(=O)CN(C)C(=O)COC(=O)COc2ccc3ccccc3c2)cc1 5990437 RTNUGPHNKLYYKU-UHFFFAOYSA-N 420.465 3.167 0 40 HGAB Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)N=c3[nH]c4ccccc4[nH]3)c2)cc1 6144260 HRQSEAGYSZHRRG-UHFFFAOYSA-N 420.494 3.371 0 40 HGAB aggregator CCOc1ccc(C(=O)NC(=S)Nc2ccc(NC(=S)NC(C)=O)cc2)cc1 6242554 XBGUKYYRZYHQKO-UHFFFAOYSA-N 416.528 3.045 0 40 HGAB CC(=O)NC(=S)Nc1ccc(NC(=S)NC(=O)c2ccc(C)c(C)c2)cc1 6276065 HHSLYQMXDJMHMF-UHFFFAOYSA-N 400.529 3.263 0 40 HGAB Cc1cc(C)n(CCCNC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)n1 6881885 YNILOUFULSPYMM-UHFFFAOYSA-N 421.526 3.145 0 40 HGAB COc1cc(CNCc2cccnc2)ccc1OCc1nnnn1-c1ccc(C)cc1 7365364 RKCMTQUERLRGHX-UHFFFAOYSA-N 416.485 3.243 0 40 HGAB CCOc1ccccc1N1C[C@@H](C(=O)OCC(=O)Nc2ccc(CC)cc2)CC1=O 8039865 RJBIORUUKMBVIR-KRWDZBQOSA-N 410.470 3.183 0 40 HGAB COc1ccc(-c2csc(NC(=O)CCc3c(C)nc4ncnn4c3C)n2)cc1 8270163 DDDKEHLORDOAFV-UHFFFAOYSA-N 408.487 3.445 0 40 HGAB Cc1cc(C)cc(NC(=O)Cn2nc(CNC(=O)c3ccccc3C)n(C)c2=S)c1 8570977 USQXFGURSKRKRK-UHFFFAOYSA-N 423.542 3.445 0 40 HGAB COc1cc(/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)cc(Br)c1O 9260552 DJDZLHINUZJKPA-VGOFMYFVSA-N 421.222 3.395 0 40 HGAB COc1ccc(-c2n[nH]c(NC(=O)CCc3c(C)c4ccc(O)cc4oc3=O)n2)cc1 9306325 BQVOKQFQKKCCOF-UHFFFAOYSA-N 420.425 3.172 0 40 HGAB CSc1ncc(Cl)c(C(=O)Nc2ccc(I)cn2)n1 9418811 VOGCWUXKYDFGFV-UHFFFAOYSA-N 406.636 3.104 0 40 HGAB Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)NCCCN(C)C)ccc2C)c1 10111456 NUHFPGXYXAMOGV-UHFFFAOYSA-N 403.548 3.094 0 40 HGAB O=C(CSc1nnnn1C1CCCC1)NCc1ccccc1OC(F)(F)F 11264241 NIBDZLZXYQXFDC-UHFFFAOYSA-N 401.414 3.095 0 40 HGAB COc1ccc(NC(=O)N2CCN(c3ccc(Nc4cc(C)ccn4)nn3)CC2)cc1 11696929 KRGMLXRINZAHEB-UHFFFAOYSA-N 419.489 3.286 0 40 HGAB Cc1cc(-c2cncnc2[C@@H]2CCCN(CC(=O)N3CCc4ccccc43)C2)on1 12118405 QGMXLQYYPBFHGG-GOSISDBHSA-N 403.486 3.209 0 40 HGAB C[C@@H]1CCCC[C@@H]1NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCCC1 12527874 KBJPCCPUAAJWEM-APWZRJJASA-N 407.580 3.236 0 40 HGAB COc1cccc(-c2nc(CC(=O)OCc3cc(=O)n4cc(C)ccc4n3)cs2)c1 12775829 OHSLIGMDOBILPX-UHFFFAOYSA-N 421.478 3.421 0 40 HGAB COc1ccc(OCCN2CCN(C(=O)c3ccc(Br)cc3)CC2)cc1 12779758 CTRFBWJBPWGNQI-UHFFFAOYSA-N 419.319 3.295 0 40 HGAB O=C(NC1CCCCC1)[C@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 12802315 PDINJTMFZHKQKE-MRXNPFEDSA-N 415.353 3.051 0 40 HGAB C[C@]12CCC(=O)N1[C@@H](C(=O)Nc1nnc(SCc3ccccc3)s1)CS2 12853154 RWZSLAAUUDTXRH-PXAZEXFGSA-N 406.558 3.223 0 40 HGAB Cc1ccsc1C(=O)N1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1 12853867 CBCNCWYOZXSWRH-UHFFFAOYSA-N 411.449 3.472 0 40 HGAB CCOc1ccc(S(=O)(=O)NCCC(=O)NCCc2ccc(C(C)C)cc2)cc1 13011928 QFAVFIBZSGQYPO-UHFFFAOYSA-N 418.559 3.236 0 40 HGAB CCC(CC)C(=O)N1CCC[C@H](c2nc(O)c3nnn(Cc4ccccc4)c3n2)C1 13083712 MQMHGXQKSPJYNF-KRWDZBQOSA-N 408.506 3.117 0 40 HGAB C/C(=C/C(=O)Nc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(C)cc2)cc1)C(=O)O 13579298 BGPAEINRJMFGMM-ZSMUJPCHSA-N 410.426 3.148 0 40 HGAB COc1ccc(CNC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCCC3)c2)cc1 13845264 NIVMTGCEJZFMMK-UHFFFAOYSA-N 416.543 3.498 0 40 HGAB Cc1cccc(-n2ncc3c(=O)n(CC(=O)NCc4ccccc4Cl)cnc32)c1C 16047551 FOVUEVHCXAONJI-UHFFFAOYSA-N 421.888 3.169 0 40 HGAB C[C@@H](Oc1ccccc1F)C(=O)N1CC[C@H](c2cc(O)nc(-c3ccncc3)n2)C1 19077686 IDVXEYXWPSKWCF-ZBFHGGJFSA-N 408.433 3.167 0 40 HGAB O=C(N[C@@H](Cc1ccsc1)c1nccs1)[C@H]1CC(=O)N(Cc2cccnc2)C1 19338804 LHOYXBVKSVQAQF-IRXDYDNUSA-N 412.540 3.048 0 40 HGAB COc1ccc(C2(C(=O)N[C@H](c3cc(=O)[nH]c(-c4cccnc4)n3)C(C)C)CC2)cc1 19445615 JESNBWBZBMPAOF-NRFANRHFSA-N 418.497 3.386 0 40 HGAB O=C(Nc1ccccc1)c1cnc(N2CCOCC2)nc1CCNC[C@@H]1CC=CCC1 19697817 YRHUNWXQQCNTLH-LJQANCHMSA-N 421.545 3.054 0 40 HGAB CCc1cccc(NC(=O)Cn2c(=O)cc(C(=O)N3CCCC3)c3ccccc32)c1 20213327 NMVMWGUZEFKASO-UHFFFAOYSA-N 403.482 3.439 0 40 HGAB COC(=O)[C@@H](NC(=O)N1CCc2nc[nH]c2[C@@H]1c1cc(Cl)ccc1F)C(C)C 20730780 ULLHXMBKRXYFJM-RDJZCZTQSA-N 408.861 3.057 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCCc3ccccc3)C2)cc1 22258883 STYHGUGOYHAIKL-FQEVSTJZSA-N 400.544 3.145 0 40 HGAB Cc1cc(C)c2nc(NC(=O)CCCN3C(=O)NC4(CCCC4)C3=O)sc2c1 22467996 NLZJFRZZKIXXTL-UHFFFAOYSA-N 400.504 3.496 0 40 HGAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3)c(=O)n2[C@@H]1[C@H]1CC=CCC1 26770661 TVNQDCYEUAARGH-JXBJASNASA-N 408.523 3.106 0 40 HGAB COc1cccc([C@H](CNC(=O)c2ccc3c(c2)CCN3C(C)=O)N2CCCC2)c1 27342258 DUCKEYLTFWCLCI-QHCPKHFHSA-N 407.514 3.171 0 40 HGAB CCN(CC)C(=O)Cn1cnc2c(sc3nc4c(cc32)CO[C@](C)(CC)C4)c1=O 32074183 KEHDDZQSUWLZSF-OAQYLSRUSA-N 414.531 3.116 0 40 HGAB Cc1nc2c(-c3cccs3)nc(=O)n(CC(=O)NCc3ccc(F)cc3)c2s1 32615860 LJYQGNIXDUTYHH-UHFFFAOYSA-N 414.487 3.345 0 40 HGAB CCOC(=O)C1=C(COC(=O)c2cc(CC)c(C)s2)NC(=O)N[C@H]1c1ccco1 32745359 WKGVMRRHNCJXIZ-KRWDZBQOSA-N 418.471 3.240 0 40 HGAB COc1ccc(-c2noc(COc3ccccc3C(=O)NC[C@@H]3CCCO3)n2)cc1 33012967 ZKNQMWLDOCYWBE-KRWDZBQOSA-N 409.442 3.233 0 40 HGAB COC(=O)[C@H](NC(=O)N1CCc2[nH]cnc2[C@@H]1c1cc(Cl)ccc1F)C(C)C 36601525 ULLHXMBKRXYFJM-WBVHZDCISA-N 408.861 3.057 0 40 HGAB O=C(CNC(=O)NCc1ccccc1)Nc1ccccc1C(=O)NCc1ccccc1 40018276 MQIQBDSHIOBJSP-UHFFFAOYSA-N 416.481 3.055 0 40 HGAB CC(=O)Nc1ccc(OC[C@H](O)CN2CCO[C@H](c3ccc(Cl)cc3)C2)cc1 40153713 DNQXLQNQLCXTLJ-CTNGQTDRSA-N 404.894 3.112 0 40 HGAB CC[C@H]1CCCCN1c1nc2c(c(=O)[nH]1)[C@@H](C(=O)Nc1ccc(C)cc1C)CC(=O)N2 40390641 DCJCPKWMUWTVKI-HOTGVXAUSA-N 423.517 3.220 0 40 HGAB CC[C@@H](NC(=O)[C@H]1CN(S(C)(=O)=O)c2ccccc2O1)c1ccc(C)cc1C 44856732 UOBWZHRRPMKXLZ-YLJYHZDGSA-N 402.516 3.098 0 40 HGAB NC(=O)CN(Cc1ccc(Br)cc1)C(=O)c1nc(Cl)ccc1Cl 48233033 IPIMPGWVZCAQFW-UHFFFAOYSA-N 417.090 3.279 0 40 HGAB COc1ccc(CNC(=O)c2snc(-c3ccccn3)c2NC(=O)C2CC2)cc1 49007808 MECCSXNCMKSZDU-UHFFFAOYSA-N 408.483 3.492 0 40 HGAB Cc1nc(-c2noc(-c3cccnc3)n2)cn1CC(=O)NCc1cccc(Cl)c1 49411911 MGRFOCNQZPWTGG-UHFFFAOYSA-N 408.849 3.273 0 40 HGAB COc1ccccc1Cn1c(SCC(=O)N2CCCC2)nc2ccsc2c1=O 57425562 ZBBATWFCQGBUQL-UHFFFAOYSA-N 415.540 3.229 0 40 HGAB CCC(CC)C(=O)N1CCO[C@](Cc2ccc(-c3cccs3)cc2)(C(N)=O)C1 72389210 OYZYEXHTJPGAMS-QFIPXVFZSA-N 400.544 3.477 0 40 HGAB COCCOc1ccc(CN2C[C@H]3CC[C@](O)(c4ncccc4C)[C@H]3C2)cc1OC 72395309 VHOBBQBYLMXTOW-JXALWOEJSA-N 412.530 3.153 0 40 HGAB COCc1ccc(C(=O)N2CCC([C@@H]3C[C@H](C(F)(F)F)n4ncnc4N3)CC2)cc1 72395600 IHDNVXAIQJSWBX-DLBZAZTESA-N 423.439 3.265 0 40 HGAB O=S(=O)(/C=C/c1ccc(Cl)cc1)NCc1ccccc1CN1CCC(O)CC1 95462006 PLMOCCZOTBXJPY-SDNWHVSQSA-N 420.962 3.387 0 40 HGAB COc1cc(F)c(S(=O)(=O)Nc2c(F)cc(C(C)=O)c(F)c2F)cc1OC 95944144 XRBUEAPIDKMOET-UHFFFAOYSA-N 407.341 3.264 0 40 HGAB COC(=O)[C@H]1CCCC[C@H]1S(=O)(=O)N1CCC(c2c[nH]c3ccccc23)CC1 96012598 OSUWUTQEXDBAFW-FXAWDEMLSA-N 404.532 3.409 0 40 HGAB O=S(=O)(c1ccccc1)N1C[C@@H]2CN(Cc3ccc(C(F)(F)F)cc3)C[C@@H]2C1 96245396 AMROHVSSEUFAAR-CALCHBBNSA-N 410.461 3.458 0 40 HGAB CC(C)N1CCC(c2cc(O)n3nc([C@H]4CCCN4C(=O)[C@@H]4C[C@@H]4C)cc3n2)CC1 100213153 BGBDTQYDNVHUAY-XAUMDUMWSA-N 411.550 3.342 0 40 HGAB O=C1C[C@@H](NCC2CCN(Cc3ccc(F)cc3)CC2)C(=O)N1c1ccc(F)cc1 100218694 SJBAWJOLLCFLJK-OAQYLSRUSA-N 413.468 3.099 0 40 HGAB Cn1c(Cc2ccc3c(c2)OCCCO3)nnc1SCC(=O)Nc1ccccc1 101160911 UIQDXLWGRREOIV-UHFFFAOYSA-N 410.499 3.298 0 40 HGAB CCCS(=O)(=O)N1CCC[C@@H](C(=O)n2ccc(C)c/c2=N\C2CCCCC2)C1 102601835 LWPRRVLCUDLMPX-HYHOCUEZSA-N 407.580 3.122 0 40 HGAB Cc1ccc(S(=O)(=O)N2C=CCN(S(=O)(=O)c3ccc(C)cc3)/C=C/C2)cc1 104085465 BELQCFGSYUDSBR-DRDXXYLBSA-N 418.540 3.026 0 40 HGAB O=C1C[C@@H](Sc2nnc3sc4ccccc4n23)C(=O)N1CCc1ccccc1 104280529 LDULXFDVLYBAGG-MRXNPFEDSA-N 408.508 3.406 0 40 HGAB Oc1ccc(-c2nc(-c3ccc(O)cc3O)nc(-c3ccc(O)cc3O)n2)c(O)c1 114067227 SGZWJGRZDJCDIM-UHFFFAOYSA-N 405.366 3.106 0 40 HGAB CCOc1ccccc1NC(=O)[C@H](CC)Oc1ccc(N(C)S(C)(=O)=O)cc1 223933492 LCTUDZPQXODXAQ-SFHVURJKSA-N 406.504 3.277 0 40 HGAB S=C(NCC1(c2ccccc2)CCOCC1)Nc1cnc(Br)cn1 224012536 FEGLNGXIVFVHPN-UHFFFAOYSA-N 407.337 3.274 0 40 HGAB COc1ccc(S(=O)(=O)N(CC(=O)O)c2cccc(F)c2)c(Cl)c1Cl 224624780 GZBDYPCQGWSQTL-UHFFFAOYSA-N 408.234 3.421 0 40 HGAB COCCCNC(=S)Nc1nc(N2CCCCC2)cc(N2CCCC[C@@H]2C)n1 225900554 FKFBGSYDOIXLLW-INIZCTEOSA-N 406.600 3.169 0 40 HGAB CCOC(=O)[C@]1(N)[C@@H](c2cccc(Cl)c2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 242473307 FFXNCYLNVYVEDP-JZXOWHBKSA-N 414.310 3.194 0 40 HGAB O=S(=O)(NC[C@H](c1ccco1)N1CCSCC1)c1ccc2c(c1)CCCC2 253405969 UAHMBIMDVFIEDV-LJQANCHMSA-N 406.573 3.227 0 40 HGAB CCn1c(C)nc2cc(C(=O)NS(=O)(=O)c3ccccc3Br)ccc21 257248380 JDKKBEFPVLMGEQ-UHFFFAOYSA-N 422.304 3.246 0 40 HGAB Cc1ccnc([C@H]2CCN(C(=O)C3(C)CCN(C(=O)c4ccccc4F)CC3)C2)n1 257267367 MGZLYRNFPXFJFA-KRWDZBQOSA-N 410.493 3.183 0 40 HGAB Cc1cc(C)n(CC(=O)N2CCCC[C@H]2c2ncc(Cc3cccc(F)c3)o2)c(=O)n1 257326942 WZEZOQCCMNLJSD-FQEVSTJZSA-N 424.476 3.332 0 40 HGAB CCCN1CCN(C(=O)c2cc[nH]n2)C[C@H](Cc2ccccc2-c2cccnc2)C1=O 257343335 ZSMFSENMDJRZGM-FQEVSTJZSA-N 417.513 3.025 0 40 HGAB COCC(=O)N[C@@H]1CCCC[C@]12CN(Cc1cccc(-c3ccncc3)c1)CCO2 306125310 CMFDUUOJNKVWAL-VWNXMTODSA-N 409.530 3.025 0 40 HGAB CCS(=O)(=O)N1CCC2(CC1)Oc1ccccc1-c1ncn(CC3CCC3)c12 306140935 VHFSBJHCGROUJZ-UHFFFAOYSA-N 401.532 3.383 0 40 HGAB COC(=O)c1sccc1S(=O)(=O)Nc1ccccc1-c1cn2c(n1)SCC2 390829192 WZSCLYUIXZPSIN-UHFFFAOYSA-N 421.525 3.305 0 40 HGAB Cc1nc([C@@H]2CCN(C(=O)[C@H]3C[C@@H]3C)C2)nc(C)c1CC(=O)NCc1ccc(F)cc1 409412796 GBHNUORYHYUXSK-QMIHWGKISA-N 424.520 3.063 0 40 HGAB Cc1nc(C)c(C(=O)N2CCc3ncc(-c4cccc5c4CN(C)C5)n3CC2)s1 585111285 MRSVBCWFYPUKQL-UHFFFAOYSA-N 407.543 3.267 0 40 HGAB CN(C)CCOc1ccc(CN2CCC(O)(COc3ccc(F)cc3)CC2)cc1 585272427 NEWDBVLYNPSNDV-UHFFFAOYSA-N 402.510 3.172 0 40 HGAB Cc1cnc(OC[C@]23CCC[C@H]2CN(C(=O)c2cncc(Br)c2)C3)nc1 1888879318 NVUNGHHIWBQJTJ-HNAYVOBHSA-N 417.307 3.264 0 40 HGAB O=C(NC[C@@H]1CCCO1)N1CCC(c2ccc3cc(-c4cncnc4)cnc3n2)CC1 1888926480 ANOZPIDTGKAXPN-FQEVSTJZSA-N 418.501 3.155 0 40 HGAB CCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2ccc(=O)oc2c1 627856 STSRQBFUXMAMMY-SFHVURJKSA-N 415.467 3.154 0 40 HGAB O=C(Cn1c(=O)sc2ccccc21)Nc1ccccc1I 643419 NULALFKEGDFRLV-UHFFFAOYSA-N 410.236 3.306 0 40 HGAB CCOc1ccccc1[C@@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(C3CC3)CC(=O)N21 2111492 RAABUXVQNLZVED-GBXCKJPGSA-N 415.493 3.414 0 40 HGAB biogenic O=C(NCc1ccccc1F)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccccc1 3366914 CUQXCEIKOMRIJX-QFIPXVFZSA-N 424.497 3.258 0 40 HGAB CCOc1ccccc1-n1nnnc1SCC(=O)Nc1cc(Cl)ccc1OC 3497174 WSOXRWUWDULWIX-UHFFFAOYSA-N 419.894 3.454 0 40 HGAB CC(=O)c1ccc2c(c1)OCCOCCOc1ccccc1OCCOCCO2 4898992 KEOHSZCHSVGGCN-UHFFFAOYSA-N 402.443 3.151 0 40 HGAB COc1ccc(OC)c([C@@H]2N=C(Nc3ccc(F)cc3)Nc3nc(C)cc(=O)n32)c1 5451248 SWCFFLVYXURXLA-LJQANCHMSA-N 409.421 3.149 0 40 HGAB Cn1c(S[C@@H](C(=O)N2CCOCC2)c2ccccc2)nnc1-c1ccccc1F 5472107 WUWMGKUXCNRMCY-GOSISDBHSA-N 412.490 3.313 0 40 HGAB CN(Cc1ccccc1Cl)C(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 7058916 ZVYZCXGQJHENBY-OAHLLOKOSA-N 400.862 3.123 0 40 HGAB CC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc(Br)c(C)c3)ccc21 7323424 YRJUTDDXCYBOSC-UHFFFAOYSA-N 409.305 3.467 0 40 HGAB NC(=O)c1c(NC(=O)CSc2nnc(-c3cccs3)o2)sc2c1CCC2 7458530 TWPQUQRGALXYIJ-UHFFFAOYSA-N 406.514 3.178 0 40 HGAB COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)Cc1cccc(C(F)(F)F)c1 7671496 CUCGKRBRTOUYDX-UHFFFAOYSA-N 419.403 3.160 0 40 HGAB O=C(CSc1ccc2ccccc2n1)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 7920717 QATJRKJOBDSLPX-QGZVFWFLSA-N 404.557 3.285 0 40 HGAB CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)N2CCC[C@@H]3CCCC[C@@H]32)c1 7989757 ZVPGKCJAPSIUAV-PXNSSMCTSA-N 419.591 3.332 0 40 HGAB CC[C@@H](NC(=O)CNC(=O)c1ccccc1OC)c1ccc(Br)cc1 8708802 RAHSTYWGXOSRRG-MRXNPFEDSA-N 405.292 3.455 0 40 HGAB COc1cccc(-c2noc(CN3C(=O)N[C@@](C)(c4ccc(Cl)cc4)C3=O)n2)c1 8772203 JFTWXZUTPCXKLS-FQEVSTJZSA-N 412.833 3.366 0 40 HGAB CCN1CCc2c([nH]c3ccccc23)[C@H]1c1c(O)nc(O)n(-c2ccccc2C)c1=O 8994702 DQYDWGPNRNFYTM-OAQYLSRUSA-N 416.481 3.401 0 40 HGAB biogenic CCN1CCc2c([nH]c3ccccc23)[C@@H]1c1c(O)nc(O)n(-c2ccccc2)c1=O 9058615 GIUBVIVPTHIAFT-FQEVSTJZSA-N 402.454 3.092 0 40 HGAB biogenic O=C(CSc1nc2c(-c3ccc(F)cc3)cnn2c(=O)[nH]1)Nc1ccc(F)cc1 9106514 SAHKQUSLUAKZFX-UHFFFAOYSA-N 413.409 3.094 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@@H](C)c3ccccc3)C2)cc1C 9973824 BNHUNKMEJGSRTQ-HKUYNNGSSA-N 416.543 3.282 0 40 HGAB CN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)CCCc2ccccc2)CC1 10008649 RMGXTEHKMIGOGZ-UHFFFAOYSA-N 414.571 3.320 0 40 HGAB CC1CCN(CCCNC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)CC1 10090299 PDKJUPPYMZDVGR-UHFFFAOYSA-N 415.559 3.339 0 40 HGAB O=C(NCc1ccccc1Cn1cccn1)c1ccccc1I 10234940 MVSHNQVXAXSQLE-UHFFFAOYSA-N 417.250 3.466 0 40 HGAB CCOC(=O)c1ccc(C)c(NC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)c1 10444690 NSCJPZPJVBZUPV-UHFFFAOYSA-N 424.906 3.230 0 40 HGAB Cc1sc2nc(C(C)C)n([C@@H]3CCCN(CC(=O)N4CCCC4)C3)c(=O)c2c1C 12184111 YBCPQIUPCVLGJC-QGZVFWFLSA-N 416.591 3.458 0 40 HGAB COC(=O)c1ccc(NC(=O)Cn2cc(OCc3ccccc3)c(=O)cc2C)cc1 12230307 UVRVVNWVHGKRDT-UHFFFAOYSA-N 406.438 3.161 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2nc3c(s2)C[C@@H](C)CC3)cc1 12360995 RLTGZTOMNOARAI-WMLDXEAASA-N 419.572 3.368 0 40 HGAB O=S(=O)(NC1CC1)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 12560874 UMHGCEBMAAHXMF-UHFFFAOYSA-N 421.327 3.235 0 40 HGAB C[C@H]1CCc2c(sc3nc(CCN4CCN(c5ccccn5)CC4)nc(N)c23)C1 12606718 BUSUPTNBXZHLMR-HNNXBMFYSA-N 408.575 3.158 0 40 HGAB COc1ccc(-c2cc(CNC(=O)[C@@H]3CC(=O)N(c4ccc(F)cc4)C3)no2)cc1 12638329 HUCKIXLINJFZKK-OAHLLOKOSA-N 409.417 3.159 0 40 HGAB O=C(NCCc1cn2ccccc2n1)c1nn(-c2ccccc2C(F)(F)F)cc1O 12668828 LMJSHVSTBBTPMA-UHFFFAOYSA-N 415.375 3.217 0 40 HGAB COc1ccc(C(=O)Nc2ccc3nc(C)sc3c2)cc1S(=O)(=O)N(C)C 12766868 MKSGTXJBYQKLNC-UHFFFAOYSA-N 405.501 3.116 0 40 HGAB Cc1cccc(C)c1NC(=O)CNC(=O)[C@H]1CC(=O)N(Cc2ccccc2Cl)C1 12809517 PIIYAFAXOMNAFO-KRWDZBQOSA-N 413.905 3.060 0 40 HGAB Cc1ccc(Cl)cc1N([C@H](C)C(=O)Nc1ccc2c(c1)OCCO2)S(C)(=O)=O 13681794 QVGRYNNMKWBQER-CYBMUJFWSA-N 424.906 3.213 0 40 HGAB CCCOc1ccc(C(F)(F)F)cc1NC(=O)COc1cccc(-n2cnnn2)c1 14171142 ZUMRISZQVORKAM-UHFFFAOYSA-N 421.379 3.487 0 40 HGAB COC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2C(F)(F)F)cc1 14512927 HLWSSXKIDUOENH-GFCCVEGCSA-N 416.421 3.271 0 40 HGAB COC(=O)c1ccc([C@H]2c3ccc(OC(C)=O)cc3Oc3nc(C)[nH]c(=O)c32)cc1 15083234 DSIACCKQFMOPAE-SFHVURJKSA-N 406.394 3.076 0 40 HGAB CCCC(=O)Nc1ccccc1C(=O)OCc1cc(=O)n2nc(CCC)sc2n1 15772465 FGMFTWNZLUFIES-UHFFFAOYSA-N 414.487 3.199 0 40 HGAB Cc1ccc(NC(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2)cc1Br 15842581 IHTCMLHHQNUXLT-UHFFFAOYSA-N 423.288 3.076 0 40 HGAB O=C(N[C@H]1CCS(=O)(=O)C1)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 17636105 DHZMZKLECOTDFT-HNNXBMFYSA-N 400.887 3.472 0 40 HGAB Cc1ccc(C(=O)[C@@H](C)OC(=O)c2cccc(S(=O)(=O)NC3CC3)c2)cc1C 18997144 NYVFACPAYAIWOK-OAHLLOKOSA-N 401.484 3.172 0 40 HGAB Cn1c(C(F)(F)F)nc2cc(NC(=O)CCn3cnc4ccccc4c3=O)ccc21 19661753 ZOLZYVJXAALFEI-UHFFFAOYSA-N 415.375 3.331 0 40 HGAB CCN(CC)c1ncc(CN2CCC[C@H](c3ccc(C(=O)N(C)C)cn3)C2)s1 19705897 IIDQZJYVLNMLHS-KRWDZBQOSA-N 401.580 3.466 0 40 HGAB CCS(=O)(=O)N1CCC[C@H]1c1nc(C)c2c(n1)N(CC1CCCCC1)C(=O)CC2 19741381 OEDUGGGEJXBKPP-SFHVURJKSA-N 420.579 3.131 0 40 HGAB C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)N1CCN(C/C=C/c2ccccc2)CC1 22038223 XXIHKZIZNYKFPD-MTCRFPMVSA-N 407.514 3.116 0 40 HGAB CCCCNC(=O)COc1ccc(N(Cc2ccc(F)cc2)S(C)(=O)=O)cc1 22232438 SCWSPBQWTLFOEQ-UHFFFAOYSA-N 408.495 3.087 0 40 HGAB C[C@@H](C(=O)NCCc1cccs1)N1CCN(Cc2nc3ccccc3s2)CC1 22802914 UAVNQONUIRDWNC-INIZCTEOSA-N 414.600 3.223 0 40 HGAB COc1ccccc1N1CCN(C[C@@H](O)COCC23CC4CC(CC(C4)C2)C3)CC1 23115034 ZYNATUNTWGFCSD-APNVUFTPSA-N 414.590 3.411 0 40 HGAB O=C(CCc1nnc(-c2ccsc2)o1)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1 23151267 IZOQNSSPCCLTID-INIZCTEOSA-N 412.471 3.487 0 40 HGAB COc1ccc(OC)c(NC(=O)CN2CCN(Cc3ccccc3Cl)CC2)c1 23249953 PDEULMHTGYIASV-UHFFFAOYSA-N 403.910 3.114 0 40 HGAB CC(=O)c1cccc(OC[C@@H](O)CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 23387387 CIRVJOXRIAAPON-FQEVSTJZSA-N 422.447 3.470 0 40 HGAB CC(C)C(=O)N1CCN(C(=O)C2=NN(c3ccccc3)[C@H](c3ccccc3)C2)CC1 24775535 FLNCQQQUEQXLPE-QFIPXVFZSA-N 404.514 3.321 0 40 HGAB COc1cccc(NC(=O)CN(C)C(=O)c2ccc(OCc3cccnc3)cc2)c1 24859281 ALHPCHUSKMYLRI-UHFFFAOYSA-N 405.454 3.380 0 40 HGAB O=C(CSc1nnc(-c2ccc(F)cc2)o1)N1CCN(Cc2cccs2)CC1 25637680 DCSCRUPHRROEEW-UHFFFAOYSA-N 418.519 3.374 0 40 HGAB C[C@H](NCCC(=O)N1CCN(c2ncccn2)CC1)c1ccc(Cl)cc1Cl 26901902 YYSGSXAWMXPRIL-AWEZNQCLSA-N 408.333 3.173 0 40 HGAB CCOc1ccccc1C(=O)Nc1nnc(S(=O)(=O)Cc2ccccc2)s1 27664685 NNJNJBDQWXSKQE-UHFFFAOYSA-N 403.485 3.163 0 40 HGAB Cc1ccc(S(=O)(=O)N2C(=O)CC[C@H]2C(=O)Nc2ccc(C)c(Cl)c2)cc1 28209519 BDPOQUKYWJDPHY-KRWDZBQOSA-N 406.891 3.275 0 40 HGAB COC(=O)c1c(NC(=O)[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)sc(C)c1C 28269884 LEAAFHDLHWYBFG-CYBMUJFWSA-N 402.472 3.152 0 40 HGAB CN(C(=O)[C@@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1)C1CCCC1 30755517 TXIYRFPBSPWNLQ-NRFANRHFSA-N 414.527 3.185 0 40 HGAB CS(=O)(=O)N1C[C@@H](C(=O)Nc2ccc(Cl)c(Cl)c2)Oc2ccccc21 30938767 RKUKAORYVHVUJG-HNNXBMFYSA-N 401.271 3.159 0 40 HGAB COC(=O)c1cc(NC(=O)c2cn(-c3ccccc3Br)nn2)ccc1F 31907248 UJXQMOQEWFURIA-UHFFFAOYSA-N 419.210 3.208 0 40 HGAB CSCC[C@@H](NC(=O)C[C@H](NC(N)=O)c1cccs1)c1nc2ccccc2[nH]1 32879163 AKQUOFOQNCSZQY-CABCVRRESA-N 417.560 3.335 0 40 HGAB CN1CC(=O)N(c2cccc(NS(=O)(=O)c3cccc(Cl)c3Cl)c2)C1=O 32935311 RFEBINOTKROXNO-UHFFFAOYSA-N 414.270 3.193 0 40 HGAB C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](NC(=O)CN3CCOCC3)CC[C@H]12 35361512 DMLFUNWWXDIAEI-NAMAPOAHSA-N 418.622 3.207 0 40 HGAB biogenic O=C(CN1C(=O)N[C@]2(CCCCc3ccccc32)C1=O)NC12CC3CC(CC(C3)C1)C2 39964253 CGYGYQWLWSOANC-ICQDXIDQSA-N 421.541 3.245 0 40 HGAB CCOc1ccc(NC(=O)CN(CC)S(=O)(=O)c2ccc(OCC)c(C)c2)cc1 39986245 FXIRYDOZQITEFI-UHFFFAOYSA-N 420.531 3.442 0 40 HGAB O=C(Cc1ccc(Br)cc1)N(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 40160025 RABAOSIPAYTNAU-GOSISDBHSA-N 422.344 3.208 0 40 HGAB COCc1nn2c(ncc3c(=O)n([C@H](C(=O)O)C(C)C)ccc32)c1-c1ccc(F)cc1 40397144 YWENJAGVKPHKLC-IBGZPJMESA-N 424.432 3.278 0 40 HGAB COc1ccc([C@H](C)NC(=O)c2ccc(NS(C)(=O)=O)c(Cl)c2)cc1OC 44880038 WVHBSUAJTDOXBY-NSHDSACASA-N 412.895 3.220 0 40 HGAB O=C(NCC1CC1)[C@H]1CCCN(Cc2cc(=O)n3c(-c4ccccc4)csc3n2)C1 48303171 HEGBMSRZWOAUGS-SFHVURJKSA-N 422.554 3.161 0 40 HGAB CC(=O)Nc1cccc2c1CCCN2C(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1 54271129 PPMUJDXOQMKPBM-IBGZPJMESA-N 405.498 3.015 0 40 HGAB COc1ccc(N2C[C@@H](C(=O)NCc3ccc(Br)cc3)CC2=O)cc1 57416364 VCMZMJHIOUSMCA-AWEZNQCLSA-N 403.276 3.127 0 40 HGAB COc1ccc(C(=O)Cn2c(=O)n(Cc3ccc(C)cc3)c(=O)c3sccc32)cc1 57486212 PHNLHDBIIOUQOC-UHFFFAOYSA-N 420.490 3.473 0 40 HGAB O=C(CCCNC(=O)NC1CCCCC1)NC[C@@H]1CCCN(Cc2ccccc2)C1 58131125 QVONLLHHKGKQGA-NRFANRHFSA-N 414.594 3.427 0 40 HGAB Cc1cc(S(=O)(=O)Nc2cccc(Br)c2)ccc1OCC(=O)O 58420355 PBEDODBZXPMHPW-UHFFFAOYSA-N 400.250 3.022 0 40 HGAB COC(=O)c1cn(CC(=O)NCc2cc3c(cc2C)OCCCO3)c2ccccc12 64987192 GUECLQYUGXZAFD-UHFFFAOYSA-N 408.454 3.214 0 40 HGAB NC(=O)c1cc(NC(=O)[C@@]23CCC(=O)N2c2cc(Cl)ccc2S3)ccc1F 65474512 MBNXIMPTQSEQPE-SFHVURJKSA-N 405.838 3.146 0 40 HGAB COc1ccc([C@H](C)NC(=O)c2sccc2NC(=O)c2cnccn2)cc1OC 67335594 DSCHVSWFWUYCBL-LBPRGKRZSA-N 412.471 3.299 0 40 HGAB CSc1cccc(N2CN=C3S[C@H](CC(=O)Nc4ccccc4)C(=O)N3C2)c1 72333646 JHCLUEPGYSQTHW-QGZVFWFLSA-N 412.540 3.472 0 40 HGAB O=C(COc1ccccc1)N1CCN(c2ccccc2)C[C@@H](Cc2cnccn2)C1 72353541 DRPRSYIQPZOGCC-HXUWFJFHSA-N 402.498 3.063 0 40 HGAB CCCn1ncc(C(=O)N2CCC[C@@H](c3ncc(Cl)cc3S(C)(=O)=O)C2)c1C 72394236 NAFFYKMBWOGLFJ-CQSZACIVSA-N 424.954 3.073 0 40 HGAB COc1ccc(CCc2nc(NC(=O)c3cn(C)c4ccccc34)n[nH]2)cc1OC 79493785 SODMYMAOUHEKKF-UHFFFAOYSA-N 405.458 3.351 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)N(C)Cc3ccc(F)cc3)CC2)cc1 89638871 LEARCVYUUQGYNN-UHFFFAOYSA-N 404.507 3.193 0 40 HGAB CCOC(=O)C(C)(C)n1cc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cn1 89978084 OCOIDZOKCOXWGA-UHFFFAOYSA-N 406.291 3.289 0 40 HGAB CCOC(=O)CN(Cc1cccc(S(=O)(=O)N(C)C)c1)[C@H](C)c1ccccc1 95441622 WQSIQAINTBYTDC-QGZVFWFLSA-N 404.532 3.063 0 40 HGAB CC[C@H](C)N(CC(=O)OC(C)(C)C)S(=O)(=O)c1c(F)cc(NC(C)=O)cc1F 95443798 KZCZYSNNCQIWCP-NSHDSACASA-N 420.478 3.054 0 40 HGAB COc1cc2c(cc1OC)CN(C(=O)[C@@H]1CCCN1c1nc3ccccc3o1)CC2 96122617 WUMDUHMEWVPRIH-SFHVURJKSA-N 407.470 3.399 0 40 HGAB Cc1cccc(CN2C[C@@H]3[C@H](C2)c2nc(Nc4ccccc4)ncc2CS3(=O)=O)c1 96252057 FNHSFMACDCSYDN-LEWJYISDSA-N 420.538 3.425 0 40 HGAB O=C(NCCc1ccncc1)[C@H]1C[C@]2(CO1)CN(Cc1ccccc1)c1ccccc12 96262846 SBDXPRNKMLQPJC-AOYPEHQESA-N 413.521 3.487 0 40 HGAB O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1CSCN1S(=O)(=O)c1ccccc1 97124592 JXBWXMCIBJTMSO-HNNXBMFYSA-N 416.446 3.408 0 40 HGAB O=C(COC(=O)c1cccc(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)c1)c1ccccc1 100555632 GFAYCKKQCVIIGB-LRGYGIHKSA-N 403.434 3.262 0 40 HGAB COc1cccc(C2=NO[C@@H]3C(=O)N(c4cc(Cl)ccc4Cl)C(=O)[C@H]23)c1OC 101315258 JBSCRCHHRYVXCR-PBHICJAKSA-N 421.236 3.303 0 40 HGAB O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1 102910084 PMDANAIVQUMNGB-HUUCEWRRSA-N 423.435 3.419 0 40 HGAB Nc1nnc(CN(CCc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)s1 222640391 KOJXYKFYMRGXDK-UHFFFAOYSA-N 408.936 3.207 0 40 HGAB CNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CSCc1ccccc1C 222826750 VYIBRIFXDHAMND-KRWDZBQOSA-N 400.544 3.400 0 40 HGAB Cc1ccc(C(=O)N2CCc3cc(S(=O)(=O)NCc4ccncc4)ccc32)cc1 223373696 PVWRSPMHJDPAQY-UHFFFAOYSA-N 407.495 3.071 0 40 HGAB Cc1cccc(CNS(=O)(=O)c2nnc(NC(=O)c3ccccc3Cl)s2)c1 225499273 JRXSVPVFPXNDMO-UHFFFAOYSA-N 422.919 3.231 0 40 HGAB CCC(=O)N1CCc2cc(S(=O)(=O)N[C@@H](C)COc3ccc(C)cc3)ccc21 225566306 JRDVGFPFOHYRHO-INIZCTEOSA-N 402.516 3.040 0 40 HGAB COc1ccc(CCC(=O)N[C@H](c2cccnc2)C2CCOCC2)c(OC)c1OC 225619748 WSHJIYDIKKYJAO-NRFANRHFSA-N 414.502 3.324 0 40 HGAB COc1ccc2c(c1)CCC[C@H]2NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 225785016 KMGIXWWXNRBACK-LJQANCHMSA-N 422.934 3.163 0 40 HGAB COc1cc(Oc2ccccc2)nc(NC(=S)NCc2ccc3c(c2)OCO3)n1 226011644 VVTCLUHXCPRHRM-UHFFFAOYSA-N 410.455 3.493 0 40 HGAB CC(C)n1ccc2c(OCC(=O)N3C[C@@H]4C[C@H](C3)c3cccc(=O)n3C4)cccc21 257198692 GFVSDEOEKQOCLY-ZWKOTPCHSA-N 405.498 3.409 0 40 HGAB Cc1ncc(C(=O)N2CCC3(CC=CCN(CCc4ccccc4)C3=O)CC2)c(C)n1 257212489 CDRJGXMTTZVBOA-UHFFFAOYSA-N 418.541 3.347 0 40 HGAB Cn1cc(C(=O)N2CC3(C2)OCC[C@@H]3CCOCc2ccccn2)c2ccccc21 306126781 FFCYLNFAQJBEDF-SFHVURJKSA-N 405.498 3.411 0 40 HGAB Cn1nccc1[C@@H]1CN(Cc2ccsc2)C[C@]12CCCN(Cc1ccncc1)C2=O 306144353 ZDBOZIUODPIBCG-NZQKXSOJSA-N 421.570 3.285 0 40 HGAB COc1ccc(/C=C2\SC(=O)N(CC(=O)NCc3ccc(OC)cc3)C2=O)cc1 409217650 RELUANSVEOXSLR-WQRHYEAKSA-N 412.467 3.057 0 40 HGAB CCOc1ccc2ccccc2c1C(=O)NCc1nc(N(C)C)nc(N2CCCC2)n1 575606449 IKZUAFLTERMBFZ-UHFFFAOYSA-N 420.517 3.020 0 40 HGAB Cc1cccc(Nc2cc([C@@H]3CCCN(C(=O)/C=C/c4ccnn4C)C3)nc(C)n2)n1 585291428 CUJLYHXFCRCVOR-QZEKMECESA-N 417.517 3.385 0 40 HGAB O=C(NC[C@H](O)c1ccc(Cl)c(F)c1)c1cccc(CNc2ccncn2)c1 1567144448 UHFFJFNQTPUUQZ-SFHVURJKSA-N 400.841 3.345 0 40 HGAB COC(=O)[C@@H]1[C@H](c2ccc(Br)cc2)[N@]1S(=O)(=O)c1ccc(C)cc1 2049251816 VRNANQYWHOYGEU-BXWFABGCSA-N 410.289 3.045 0 40 HGAB O=C(NC1CCCC1)[C@@H](c1cccs1)N(C[C@H]1CCCO1)C(=O)C(F)(F)F 800203 NRGCIQYVBNHYKQ-UKRRQHHQSA-N 404.454 3.418 0 40 HGAB Cc1ccc(NC(=O)COC(=O)[C@@H](C(C)C)N2C(=O)c3ccccc3C2=O)c(C)c1 1910810 SBJOBNIGNXSDEV-HXUWFJFHSA-N 408.454 3.106 0 40 HGAB CCOC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@@H]2c3ccc(OC)c(OC)c3C(=O)N21 2092679 GCGONUUWQBSKDO-UZLBHIALSA-N 406.438 3.218 0 40 HGAB biogenic CCNC(=O)COC(=O)c1ccccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 3401861 VZWACWNPWVCUGC-UHFFFAOYSA-N 424.375 3.016 0 40 HGAB CCOc1ccc(C(=O)[C@@H](C)OC(=O)c2ccc3c(=O)n4c(nc3c2)CCC4)cc1 3420164 RBXMMROYMTYNCQ-CQSZACIVSA-N 406.438 3.170 0 40 HGAB O=C(NC[C@@H](c1ccco1)N1CCCCC1)[C@@H]1CCCN1C(=O)c1cccs1 3504280 JPLQYUUFHCUUDC-IRXDYDNUSA-N 401.532 3.289 0 40 HGAB Cc1cccc(C)c1OCc1nnc(SCC(=O)NC2=NCCS2)n1C(C)C 4736573 XESRQPQTYVQNIF-UHFFFAOYSA-N 419.576 3.366 0 40 HGAB Cc1nnc(S[C@H](C)C(=O)NCc2ccc3c(c2)OCO3)n1Cc1ccccc1 4985063 ATDBORYQOTTWLK-CQSZACIVSA-N 410.499 3.161 0 40 HGAB Cc1ccc(S(=O)(=O)CCC(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C)C3)cc1 5189184 KWLUPFQZCSMKJO-ZDUSSCGKSA-N 420.556 3.083 0 40 HGAB CN1C(=O)/C(=c2\sc3nc(-c4ccc(C(C)(C)C)cc4)nn3c2=O)c2ccccc21 6159437 ZXBNRTDCPKQFMH-ZCXUNETKSA-N 416.506 3.010 0 40 HGAB Cn1nnnc1SCC(=O)N(Cc1ccc(F)cc1)C12CC3CC(CC(C3)C1)C2 6643449 YTIAOAROWAOOEM-UHFFFAOYSA-N 415.538 3.439 0 40 HGAB Cc1ccsc1CN(C(=O)COc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 6810212 AJLNKGWMAVYVCY-OAHLLOKOSA-N 413.948 3.305 0 40 HGAB CON(C)S(=O)(=O)c1cccc(C(=O)N(C)Cc2ccc(Cl)cc2Cl)c1 7985819 ISWFEXKXBVNYOY-UHFFFAOYSA-N 417.314 3.448 0 40 HGAB O=C(CSc1nnc(NC[C@H]2CCCO2)s1)N[C@H]1CCCc2ccccc21 8157046 IIDNIYNCVDJUSV-ZBFHGGJFSA-N 404.561 3.415 0 40 HGAB CCOC(=O)c1ccc(NC(=O)CCCC(=O)OCC(=O)Nc2ccccc2)cc1 8417448 PMDSVSKKHCXUGG-UHFFFAOYSA-N 412.442 3.154 0 40 HGAB CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)[C@@H](C)Sc2ccccc2)cc1 8750987 COKLVYGPQDOQRD-MRXNPFEDSA-N 406.573 3.311 0 40 HGAB CCOc1ccc(NC(=O)CCc2c(C)noc2C)cc1S(=O)(=O)N1CCCC1 8767251 MPDJXJWECBLFPE-UHFFFAOYSA-N 421.519 3.046 0 40 HGAB CCOC(=O)c1c(C)[nH]c(C(=O)CN2C(=O)[C@@H](C)N(c3ccc(C)cc3)C2=O)c1C 9253409 BEZCBEHRVKQFHE-OAHLLOKOSA-N 411.458 3.157 0 40 HGAB CC[C@H](CNC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1)c1ccccc1 9806223 BWMMKXCHONOCFS-QGZVFWFLSA-N 419.522 3.035 0 40 HGAB Cc1ccc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(Br)cc2)c(C)c1 10041487 CGTGGSWWKMXLOW-CYBMUJFWSA-N 411.321 3.371 0 40 HGAB CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCCN3C(=O)c3ccc(=O)n(C)c3)cc2N1 12181365 VQDBBVYCQRZOOD-VNQPRFMTSA-N 423.439 3.257 0 40 HGAB CC(C)NS(=O)(=O)c1ccc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1 12557012 YGJHNDHMACIJBD-UHFFFAOYSA-N 423.343 3.481 0 40 HGAB Cc1ccc(NC(=O)CN2CCN(C(=O)c3cc4ccccc4cc3O)CC2)cc1 12754848 WBCPBQXFVSQVFC-UHFFFAOYSA-N 403.482 3.250 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3c4ccccc4C[C@@H]3C)C2)s1 12904620 ZQGHTKPMXGTPDN-YOEHRIQHSA-N 404.557 3.435 0 40 HGAB COc1ccc([C@@H](C)NC(=O)[C@H]2CC(=O)N(c3ccc(OC)c(OC)c3)C2)cc1F 12935624 RQKRMDNHAZZXPL-HIFRSBDPSA-N 416.449 3.082 0 40 HGAB COc1ccc2nc(NC(=O)[C@H]3CCCN3S(=O)(=O)c3ccccc3)sc2c1 12978473 AAFSTGAARYNNPW-MRXNPFEDSA-N 417.512 3.097 0 40 HGAB O=C(Nc1ccc2[nH]ccc2c1)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 13624756 YLOQQCNNZOFUFF-HNNXBMFYSA-N 401.463 3.346 0 40 HGAB CC(C)[C@@H](C(=O)NCCc1c[nH]c2ccc(Cl)cc12)n1nnc2ccccc2c1=O 13625194 WTLUJQNBHGNOBT-FQEVSTJZSA-N 423.904 3.482 0 40 HGAB C[C@@H]1Oc2ccccc2N(CC(=O)Nc2ccnn2Cc2cccc(Cl)c2)C1=O 14199444 OHHYHWZLEMFTLQ-AWEZNQCLSA-N 410.861 3.337 0 40 HGAB Cc1nc(NC(=O)CSCc2nc3sc4c(c3c(=O)[nH]2)CCC4)sc1C 14201349 HJVAAFKAPVYSEE-UHFFFAOYSA-N 406.558 3.419 0 40 HGAB COc1ccc(C(=O)Nc2c(F)cccc2F)cc1S(=O)(=O)N1CCCCC1 14291818 FHPAPDGDJWZMHA-UHFFFAOYSA-N 410.442 3.400 0 40 HGAB COC(=O)c1cc(C(C)C)nc2c1c(-c1ccccc1)nn2[C@@H]1CCS(=O)(=O)C1 16850649 OFNUFJCREGSFQK-OAHLLOKOSA-N 413.499 3.368 0 40 HGAB CC(C)(C)c1ccc(CNCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 17317430 BEFZKGUPDFLJFE-UHFFFAOYSA-N 402.560 3.295 0 40 HGAB Cc1ccc(-c2cc(-c3ccc(F)cc3)nn2CCNC(=O)Cn2cccn2)nc1 19216184 HMVCSBHOOFHFCO-UHFFFAOYSA-N 404.449 3.073 0 40 HGAB CC1CCN([C@@H](C)CNC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C2CC2)N3)CC1 19496790 GXFQDXKEFDSJDL-JLJPHGGASA-N 413.488 3.431 0 40 HGAB CCNC(=O)[C@@]1(Cc2ccccc2-c2cccs2)CCN(C(=O)c2cnccn2)C1 19529108 MIRBUCNPNWPJRH-HSZRJFAPSA-N 420.538 3.416 0 40 HGAB COc1ccccc1C(=O)N1CCN(C(=O)c2ccc(C)c(N3CCCC3)c2)CC1 19663904 LFBVTIDTAQPSOS-UHFFFAOYSA-N 407.514 3.202 0 40 HGAB CC(C)NC(=O)c1cc([C@@H]2CCN(Cc3cnc(N(C)C)nc3)C2)nc2ccccc12 19761237 BGEJTGBFZKJVDJ-GOSISDBHSA-N 418.545 3.219 0 40 HGAB Cc1n[nH]cc1C(=O)N1CCC(c2ccc(C(=O)Nc3ccc(F)cc3)c(N)n2)CC1 19765943 NFSDKWRXWOUEMS-UHFFFAOYSA-N 422.464 3.107 0 40 HGAB CC[C@H](NC(=O)[C@H](C)N(c1ccc(C)cc1)S(C)(=O)=O)c1ccc(OC)cc1 19934544 IFWUDEVGKXJRSY-JXFKEZNVSA-N 404.532 3.426 0 40 HGAB COc1ccc2c(c1)CCCN2C(=O)CN(C)S(=O)(=O)c1ccc(Cl)s1 21975759 IVWVCIBHOXERHN-UHFFFAOYSA-N 414.936 3.010 0 40 HGAB CCOc1cc(C(=O)OCc2c(C)noc2C)ccc1OCC(=O)N1CCCCC1 22208129 GLTXIEKGILLZPT-UHFFFAOYSA-N 416.474 3.438 0 40 HGAB CCCCNC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(OCC)c(C)c1 22268071 LMQKDNMRJZSXLK-HXUWFJFHSA-N 418.559 3.200 0 40 HGAB Cc1noc(C)c1COc1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)nc2)cc1 22324427 CZQGHRJUOAZCTF-UHFFFAOYSA-N 421.501 3.270 0 40 HGAB O=C(CN1CCN(CC(=O)c2c[nH]c3ccccc23)CC1)c1c[nH]c2ccccc12 22859140 SDVRXNZAXUSRMF-UHFFFAOYSA-N 400.482 3.332 0 40 HGAB C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CN1CCN(C/C=C/c3ccccc3)CC1)C2=O 22912902 SCBRETFCOAJVSN-MEESDYNSSA-N 424.589 3.412 0 40 HGAB Cc1ccc2[nH]c3c(=O)n(CCC(=O)NCCc4c[nH]c5ccccc45)cnc3c2c1 23125633 XWOBYKHKTAAHEV-UHFFFAOYSA-N 413.481 3.417 0 40 HGAB CCN1CCN(C(=O)[C@@H](C)Sc2nnc(-c3cccc(Cl)c3)n2CC)CC1 23508415 KBRQPWJXKYSZCX-CQSZACIVSA-N 407.971 3.263 0 40 HGAB CN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)c1c[nH]c(=S)n1-c1ccc(F)cc1 24450104 PWJHKWWASXEXEH-UHFFFAOYSA-N 415.475 3.244 0 40 HGAB C[C@@H](OC(=O)CCC(=O)c1ccc2c(c1)OCCO2)C(=O)N(C)Cc1ccccc1 24984407 XUKSIAUZSQKFIQ-MRXNPFEDSA-N 411.454 3.011 0 40 HGAB CC(C)[C@H](NC(=O)c1ccco1)C(=O)NC[C@@H](C(C)C)N1CCc2ccccc2C1 25536107 DFSVNQGRLZNUQZ-UNMCSNQZSA-N 411.546 3.233 0 40 HGAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3)c(=O)n2[C@@H]1[C@@H]1CC=CCC1 26770665 TVNQDCYEUAARGH-XJTPFAFPSA-N 408.523 3.106 0 40 HGAB O=C(Nc1ccc(CN2C(=O)CNC2=O)cc1)c1ccccc1C(=O)c1ccccc1 29175645 VQAINNIOFUJZIV-UHFFFAOYSA-N 413.433 3.222 0 40 HGAB COCCNC(=O)c1ccccc1NC(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1 30940030 PUPWYGIJZYYFCV-SFHVURJKSA-N 413.493 3.053 0 40 HGAB Cc1ccc(-c2nnc(CCC(=O)N(Cc3ccc(C(N)=O)cc3)C3CC3)o2)cc1 31175749 NLGOFKBGEMADKA-UHFFFAOYSA-N 404.470 3.268 0 40 HGAB CCS(=O)(=O)c1ccc(NC(=O)[C@@H](NC(=O)c2ccccc2C)C(C)C)cc1 32618845 HRQHYNKCKQVKFM-IBGZPJMESA-N 402.516 3.182 0 40 HGAB C[C@H](C(=O)NCc1ccccc1)N1CCN(Cc2ccc(Br)s2)CC1 32679546 KWKBNQBXIUUJIV-OAHLLOKOSA-N 422.392 3.333 0 40 HGAB O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1cn(-c2ccccc2C(F)(F)F)nn1 32816975 AGGYPQMZOJXFGE-INIZCTEOSA-N 415.419 3.290 0 40 HGAB CCCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)Nc1cccc(C(C)=O)c1 40308985 CATAVFBCRUDXMB-HSZRJFAPSA-N 405.454 3.217 0 40 HGAB biogenic CCc1cc2c(C)cc(=O)oc2cc1OC(=O)c1cccc(OCC(=O)N(C)C)c1 44341573 DVIAYCGVYWKZHP-UHFFFAOYSA-N 409.438 3.350 0 40 HGAB COc1ccc(CNCc2cn3cc(Br)ccc3n2)c(OC)c1OC 48314608 HBZJGPQRSDSUNG-UHFFFAOYSA-N 406.280 3.412 0 40 HGAB CC[C@@H](c1nnnn1C1CCCC1)N(CCCO)Cc1cc2cc(C)ccc2[nH]c1=O 57645775 HCQGTQQDZUABHC-NRFANRHFSA-N 424.549 3.274 0 40 HGAB O=C(NCCCN1CCc2ccccc2C1)NC[C@H]1CCN(c2ccc(F)cc2)C1 58420991 AJCXIVMPVNOVMF-LJQANCHMSA-N 410.537 3.400 0 40 HGAB CC(C)NC(=O)N1CCCCC[C@@H]1C1CCN(Cc2cccc(C(N)=O)c2)CC1 69817096 DBZTVXLQVMWMEM-OAQYLSRUSA-N 400.567 3.360 0 40 HGAB CC(C)Cn1cnc(S(=O)(=O)NCc2ccc(CN3CCC(C)CC3)cc2)c1 72307531 FOYDUBNRNJKUTJ-UHFFFAOYSA-N 404.580 3.250 0 40 HGAB COC(=O)CC1(CS(=O)(=O)NCc2cccc(COCc3ccccc3)c2)CC1 72313161 KZXUFRHSQUSKRC-UHFFFAOYSA-N 417.527 3.166 0 40 HGAB CCOc1ccc(CC(=O)OCC(=O)Nc2ccc(OC)c(OC)c2)cc1OCC 72330930 PHKSLIQBPXFOED-UHFFFAOYSA-N 417.458 3.226 0 40 HGAB O=S(=O)(c1cccc2cccnc12)N1CCC[C@@H](c2nnc(-c3cccnc3)o2)C1 72390000 VKRNNCAZABWCCG-QGZVFWFLSA-N 421.482 3.248 0 40 HGAB Cn1cc(C(=O)NC2CCN(CC3(c4ccccc4F)CCCC3)CC2)ccc1=O 72393514 SGUCGWVYWZSLHQ-UHFFFAOYSA-N 411.521 3.231 0 40 HGAB Nc1c(C(=O)OCC(=O)Nc2ccc(F)c(Cl)c2)ccnc1Br 89769831 AZCKYHXMCCWALS-UHFFFAOYSA-N 402.607 3.014 0 40 HGAB Cc1cc(C(=O)Nc2ccccc2[C@H](NC(=O)c2cc(C)nn2C)C(C)C)n(C)n1 95443741 RNQKCGGVVAWBCC-HXUWFJFHSA-N 408.506 3.150 0 40 HGAB CN1C(=O)[C@@H](NC(=O)NCc2ccccc2F)N=C(c2ccccc2)c2ccccc21 95929329 KJGAHFXFSVGGDQ-JOCHJYFZSA-N 416.456 3.465 0 40 HGAB C[C@@H]1CN(C(=O)NCc2ccccc2)CC[C@]12CC[C@H](C(=O)Nc1cccnc1)O2 96087423 BSFZYYBQXFAIEY-HCLVMJGWSA-N 408.502 3.190 0 40 HGAB CCc1ccc(N(CN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@H]3C2=O)C(=O)C(F)(F)F)cc1 100395421 RFOFHNPTHLVBIS-KKFZBWNWSA-N 418.415 3.155 0 40 HGAB C[C@H](C(=O)N[C@H]1CCCc2ccccc21)N(c1ccc(F)c(F)c1)S(C)(=O)=O 113956652 JNZWOEXPFRMUTR-YJYMSZOUSA-N 408.470 3.313 0 40 HGAB CCCNC(=O)c1ccccc1NC(=O)c1ccc(NS(C)(=O)=O)c(Cl)c1 216419757 NLQTUFNLQMMXTC-UHFFFAOYSA-N 409.895 3.104 0 40 HGAB COc1cc(C)c(S(=O)(=O)N(C)Cc2nc(-c3cccc(C)c3)no2)cc1C 223185888 YHBUZKYVAIIASB-UHFFFAOYSA-N 401.488 3.491 0 40 HGAB Cc1c(NS(C)(=O)=O)cccc1C(=O)NCCOc1ccccc1C(C)(C)C 223695953 CTUMZKFYZRNLBN-UHFFFAOYSA-N 404.532 3.473 0 40 HGAB CC[C@H](C(=O)NCCOc1cccc(C)c1)N(c1ccc(C)c(C)c1)S(C)(=O)=O 224312490 QTIMTXQWEFIWRY-OAQYLSRUSA-N 418.559 3.352 0 40 HGAB COC(=O)c1ccc(C)c(NC(=S)NCc2ccccc2CN2CCOCC2)c1 225778061 CVHQBLUHTOMBRS-UHFFFAOYSA-N 413.543 3.100 0 40 HGAB Cn1cc(C(=O)Nc2ccc3c(c2)N(S(=O)(=O)c2ccc(Cl)cc2)CC3)cn1 225888180 JQYYVEIKDJECIT-UHFFFAOYSA-N 416.890 3.077 0 40 HGAB Cc1cc(S(=O)(=O)N2CCN(Cc3cnoc3C)CC2)c(Cl)cc1Cl 238840222 HRKZTVGAEOUSGZ-UHFFFAOYSA-N 404.319 3.105 0 40 HGAB COc1cccc(OC)c1[C@H]1OCC[C@@]23C[C@@H](C[C@H]12)C(C)(C)[C@@H]3NC(=O)CCO 257221024 DNEYFPTXTIJEQT-GKEBQOIESA-N 403.519 3.085 0 40 HGAB O=S(=O)(c1ccc(F)cc1)N1CCC[C@]2(CC1)CN(Cc1cccs1)CCO2 306130858 JRISUMZOPUEWMG-FQEVSTJZSA-N 424.563 3.333 0 40 HGAB CC(=O)Nc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NCC(C)C)c2)cc1 408584424 PPQCDVHGFKTXET-UHFFFAOYSA-N 403.504 3.140 0 40 HGAB Cc1cc(C)cc(N([C@H](C)C(=O)NCCSCc2ccco2)S(C)(=O)=O)c1 409408737 DLRDEQYYVQWWEY-MRXNPFEDSA-N 410.561 3.101 0 40 HGAB CN1C(=O)c2cc(C(F)(F)F)ccc2O[C@H]2CN(C(=O)NCc3ccccc3)C[C@H]21 514288662 PIIXWLPWSLERNL-AEFFLSMTSA-N 419.403 3.132 0 40 HGAB biogenic,in-vitro COc1ccc(F)c(CN2C[C@H]3c4ccccc4[C@@H](NC(=O)c4ccnn4C)[C@H]3C2)c1 585109821 XMQXIPNQDJSZLE-SXWKCWPCSA-N 420.488 3.268 0 40 HGAB COCCn1cc2c3c(cccc31)NC1=C(C(=O)N(C(C)=O)C1)[C@H]2c1ccccc1 1547139727 YVPUMWCHVJYLTP-NRFANRHFSA-N 401.466 3.488 0 40 HGAB biogenic COc1ccc(Cl)cc1S(=O)(=O)N1CC(Oc2ccnc(C(F)(F)F)c2)C1 1775974077 BDMRVNMXZFKVEI-UHFFFAOYSA-N 422.812 3.214 0 40 HGAB Cc1nc(C2CCOCC2)cc(N2CCN(c3ncnc4cc(F)ccc34)CC2)n1 1888913908 OEGKTSVSGIUMTA-UHFFFAOYSA-N 408.481 3.088 0 40 HGAB O=C(CCc1ccccc1Br)NC[C@H](O)c1ccc(-n2cccn2)cc1 1888962969 HQWNHRHNCNLWAE-IBGZPJMESA-N 414.303 3.417 0 40 HGAB COc1cc(CN2CCO[C@]3(CCCCN(c4ccccc4)C3=O)C2)cc(OC)c1 2037983801 GOOOEOZSJDEPAY-XMMPIXPASA-N 410.514 3.492 0 40 HGAB CN(Cc1ccccn1)C(=O)[C@H]1C[C@@H]2CCN(C(=O)c3cccc(Cl)c3)C[C@@H]2O1 2055719445 FTMYEPDCOVKWFS-BEVDRBHNSA-N 413.905 3.013 0 40 HGAB O=C(CSc1nnc(-c2ccc(F)cc2)o1)N1CCN(c2ccccc2F)CC1 1330179 CCVLWVYDEWDJMS-UHFFFAOYSA-N 416.453 3.456 0 40 HGAB CCCc1cc2c(=O)n(NC(=O)c3c(Br)cnn3CC)c(C)nc2s1 2781481 UIPYJPXPHMSVLZ-UHFFFAOYSA-N 424.324 3.082 0 40 HGAB COc1ccc(CCn2c(C)cc(C(=O)CSc3nc(N)cc(N)n3)c2C)cc1 3361938 DQSHDZJJCZIABP-UHFFFAOYSA-N 411.531 3.286 0 40 HGAB O=C(CNc1ccccc1C(=O)NCc1ccco1)Nc1ccc2c(c1)OCCO2 3416125 ZTSBYTBCTNGOJH-UHFFFAOYSA-N 407.426 3.031 0 40 HGAB C[C@]1(c2ccccc2)NC(=O)N(CC(=O)NCc2ccc(Cl)cc2Cl)C1=O 3459608 KHVACEYRIVXLCR-LJQANCHMSA-N 406.269 3.077 0 40 HGAB CC(=O)N/C(=C/c1ccccc1)C(=O)OCC(=O)Nc1cccc(Br)c1 3493036 IBDGVXRVXWOTMF-LICLKQGHSA-N 417.259 3.108 0 40 HGAB CCCOc1ccc(C(=O)N(Cc2ccc(F)cc2)[C@H]2CCS(=O)(=O)C2)cc1 4186451 DUENQHDLTQCKOB-IBGZPJMESA-N 405.491 3.444 0 40 HGAB C[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)NCc2ccc(Cl)cc2)C1=O 4468478 XBFKZACKWOVGHX-IBGZPJMESA-N 406.269 3.077 0 40 HGAB COc1ccc(NC(=O)[C@H](C)Sc2nnc(-c3ccc4c(c3)OCO4)n2C)cc1 4736393 VXGXJZLRVKWTRV-LBPRGKRZSA-N 412.471 3.339 0 40 HGAB C[C@@H](NC(=O)COc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccccc1 4778235 DRQVGWXMHFDPNV-QGZVFWFLSA-N 402.516 3.117 0 40 HGAB CCn1c(SCC(=O)Nc2ccc3c(c2)OCCCO3)nnc1-c1ccncc1 5312253 MAGRMAHJOBCDHM-UHFFFAOYSA-N 411.487 3.252 0 40 HGAB COc1ccc(-n2c(COc3ccc(Cl)cc3)nnc2SCC(N)=O)cc1 5477838 VSBGRNIOESHUEO-UHFFFAOYSA-N 404.879 3.086 0 40 HGAB COc1ccc(CNC(=O)[C@H](C)OC(=O)CSc2ncnc3sccc23)cc1 5563354 GPOWHQAHZDQGBJ-LBPRGKRZSA-N 417.512 3.040 0 40 HGAB COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)c(OC)c1 5744110 PBGBSOHXGBSOPC-UKTHLTGXSA-N 402.859 3.189 0 40 HGAB C[C@H]1CCc2sc(C(=O)O[C@@H](C)C(=O)NCc3ccc4c(c3)OCO4)cc2C1 5773230 CFMYNDXWRAXPQR-STQMWFEESA-N 401.484 3.463 0 40 HGAB CCc1ccc(N2C(=O)/C(=C/c3ccc(OC)c(C)c3OC)C(=O)NC2=S)cc1 6168772 AJSJZIDJVIYIEV-SFQUDFHCSA-N 410.495 3.406 0 40 HGAB O=C(NCCSCc1ccccc1F)c1ccc(S(=O)(=O)N2CCCC2)cc1 7637991 CEJDEJCJVBPCBZ-UHFFFAOYSA-N 422.547 3.273 0 40 HGAB Cc1cccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)c2)c1 8040109 HPBYUXFKKXTNOT-WOJBJXKFSA-N 418.449 3.246 0 40 HGAB CC(=O)c1ccc(NC(=O)COC(=O)c2cccc(NC(=O)C(F)(F)F)c2)cc1 8412326 DVGZCXKKXLOBKL-UHFFFAOYSA-N 408.332 3.186 0 40 HGAB COc1ccc(-n2nnc(-c3nsc(NC(=O)c4ccccc4)n3)c2C)cc1OC 9638145 VOPZSKPLSWHFLC-UHFFFAOYSA-N 422.470 3.364 0 40 HGAB COc1ccc(-n2c(SCC(=O)NC(=O)c3cccn3C)nc3ccccc32)cc1 9725555 YUZZSUROZLSDIS-UHFFFAOYSA-N 420.494 3.421 0 40 HGAB COCCCNC(=O)c1ccc(CN(c2cccc(Cl)c2)S(C)(=O)=O)cc1 10336585 GUECCPUTWACTGX-UHFFFAOYSA-N 410.923 3.073 0 40 HGAB Cc1nc(COc2ccc(C(=O)O[C@H](C)C(=O)N3CCc4ccccc43)cc2)no1 12073445 UJBMELNLFJAIHY-CQSZACIVSA-N 407.426 3.092 0 40 HGAB CCOc1ncccc1C(=O)N1CCC(c2nc3ccccc3cc2C(N)=O)CC1 12254760 DZNNOISITKKNSE-UHFFFAOYSA-N 404.470 3.147 0 40 HGAB CCn1c(SCC(=O)Nc2cccc(C)c2C)nnc1-c1cn(C)nc1OC 12422621 MPAUAKCQSFYTPG-UHFFFAOYSA-N 400.508 3.055 0 40 HGAB CC(C)Oc1ccc(C(=O)N(C)CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)cc1 12882586 SBDSEOYWTYMKDG-INIZCTEOSA-N 409.486 3.310 0 40 HGAB Cc1nc2ncnn2c(C)c1CCC(=O)Nc1ccnn1Cc1ccc(Cl)cc1 12920054 LHELFVGYZXNNPP-UHFFFAOYSA-N 409.881 3.211 0 40 HGAB Cc1cc(C)c2cc(C(=O)N3CCN(CC(=O)N4C[C@@H](C)C[C@@H](C)C4)CC3)[nH]c2c1 13003665 JKJBUTJFNJLNJO-HDICACEKSA-N 410.562 3.047 0 40 HGAB O=C(NCc1ncc(-c2ccccc2)o1)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O 13234968 MNLPZJKNASGRIC-SFHVURJKSA-N 404.426 3.318 0 40 HGAB CC[C@H](C(=O)N1CCc2ccccc2C1)N(c1ccc(C)c(C)c1)S(C)(=O)=O 13716230 FSNYOBLHQWCREL-OAQYLSRUSA-N 400.544 3.433 0 40 HGAB CCOC(=O)N1CCN(C(=O)c2nn(-c3ccc(F)cc3)c3c2CCCCC3)CC1 14022466 DENDLOSDRUHOPT-UHFFFAOYSA-N 414.481 3.195 0 40 HGAB O=c1c2cc(Cl)ccc2ncn1C[C@@H](O)COc1ccc(Br)cc1 14199980 VHPLUIXDQVCYSK-CYBMUJFWSA-N 409.667 3.252 0 40 HGAB COc1ccc(OC)c(NC(=O)[C@H]2CC(=O)N(c3cc(Cl)ccc3OC)C2)c1 15083152 BZHMYGCOHKCGPG-LBPRGKRZSA-N 404.850 3.357 0 40 HGAB COc1cc(NC(=O)[C@@H]2CC(=O)N(CCc3ccccc3)C2)c(OC)cc1Cl 15970264 ADINSOZZKJUDRV-OAHLLOKOSA-N 402.878 3.387 0 40 HGAB CNC(=O)[C@]1(Cc2cccc(-c3ccncc3)c2)CCCN(C(=O)c2cccnc2)C1 19591235 ZAPBECYDPBPULA-VWLOTQADSA-N 414.509 3.355 0 40 HGAB COCC(=O)N1CCC[C@@H](c2nc(C)c3c(n2)N(CCc2ccccc2)CCC3)C1 19706611 IWUQPWYJZZHIGV-HXUWFJFHSA-N 408.546 3.133 0 40 HGAB Cn1cccc1[C@@H](CNC(=O)C(=O)Nc1ccccc1F)N1CCc2ccccc2C1 21155633 VUDOBVUTERFMAT-JOCHJYFZSA-N 420.488 3.019 0 40 HGAB Cc1ccccc1-n1c(S[C@H](C)C(=O)NC[C@@H]2CCCO2)nnc1-c1ccncc1 21353061 RZTDLJNDYZMPMT-AEFFLSMTSA-N 423.542 3.414 0 40 HGAB COc1ccc(-c2nnc(SCC(=O)Nc3ccc(C)c(C)c3)n2N)c(OC)c1 21576030 ORKGGNMQIKAIIC-UHFFFAOYSA-N 413.503 3.024 0 40 HGAB COc1ccc([C@@H]2CCCN2C(=O)c2ccc(=O)n(CCOc3ccccc3)n2)cc1 21624450 BPUDQVZWHXZZHW-QFIPXVFZSA-N 419.481 3.308 0 40 HGAB O=C(Nc1cccc(-c2nnnn2C2CC2)c1)c1ccccc1OC[C@@H]1CCCO1 22181385 KDIXNGXALHTODW-SFHVURJKSA-N 405.458 3.485 0 40 HGAB CN(c1ccc(OCC(=O)NC(c2ccccc2)c2ccccc2)cc1)S(C)(=O)=O 22230817 VSQFFAMBHOMXBH-UHFFFAOYSA-N 424.522 3.367 0 40 HGAB CCCCc1nnc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(C(C)(C)C)cc2)s1 22742853 SAXUPPCLAMRWBH-ZDUSSCGKSA-N 424.592 3.484 0 40 HGAB Cc1ccc([C@@H](CNc2ncnc3c2cnn3-c2ccccc2)N2CCOCC2)o1 24528643 PPHMTXFMIKBHJX-LJQANCHMSA-N 404.474 3.202 0 40 HGAB Cc1cccc2c(=O)n(CCCC(=O)O[C@H](C)C(=O)NCC3CCCCC3)cnc12 26948108 SGZMOFCWLFFXPW-QGZVFWFLSA-N 413.518 3.113 0 40 HGAB CN(C)C1=NC(=O)[C@H](CC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)S1 28757304 MYOYCUYKAZQWRJ-INIZCTEOSA-N 415.902 3.459 0 40 HGAB CCN1CCN(C(=O)c2ccccc2OCc2nc(-c3ccc(C)cc3)no2)CC1 32579163 CNTVHITUUXXMPY-UHFFFAOYSA-N 406.486 3.402 0 40 HGAB O=C(O)[C@H]1CC=CC[C@H]1C(=O)Nc1nn(Cc2ccccc2F)cc1Br 32610347 HAZVJNGWLOWIKW-OLZOCXBDSA-N 422.254 3.439 0 40 HGAB O=C(CN1CCN(C(=O)c2sc3cc(F)ccc3c2Cl)CC1)N1CCCC1 32781072 CVCMIHHBOOMPTF-UHFFFAOYSA-N 409.914 3.074 0 40 HGAB CN(CCCNC(=O)c1ccccc1S[C@H]1CCS(=O)(=O)C1)c1ccccc1 32902465 XIAACDBGORNYCD-SFHVURJKSA-N 418.584 3.222 0 40 HGAB Nc1c(C(=O)NCc2ccccc2)nsc1C(=O)NCCc1ccc(Cl)cc1 33171832 DZYWSFYBZANQRD-UHFFFAOYSA-N 414.918 3.281 0 40 HGAB COc1cccc(NC(=O)CCC(=O)N2CCc3[nH]c4ccc(OC)cc4c3C2)c1 36370085 YCUHPBSECJCTOT-UHFFFAOYSA-N 407.470 3.489 0 40 HGAB biogenic CCCN(Cc1nnc(-c2ccccc2)o1)S(=O)(=O)c1cnn(C(F)F)c1C 36614711 AIEICDSWDYFDIO-UHFFFAOYSA-N 411.434 3.238 0 40 HGAB O=S(=O)(NCCCN1CCO[C@H](c2ccccc2)C1)c1ccc(F)c(Cl)c1 36700243 VNUWASZBUPZUBV-IBGZPJMESA-N 412.914 3.221 0 40 HGAB CCc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4[C@@H](C)CCC[C@@H]4C)[nH]c(=O)c32)cc1 38828374 ICZUEABKUWZZRA-GRDNDAEWSA-N 423.517 3.164 0 40 HGAB Cc1nc2n(c(=O)c1C)CN(C[C@H]1CCCO1)CN2c1cccc(C(F)(F)F)c1 38830027 REUQKMIJBXSUIT-QGZVFWFLSA-N 408.424 3.427 0 40 HGAB COc1ccc(/C=c2/sc3nc(/C=C/c4ccc(C)cc4)nn3c2=O)c(OC)c1 39835412 LJHIYKFZCHZYIM-GGNBMFIYSA-N 405.479 3.195 0 40 HGAB C[C@@H]1CCCN(Cc2ccccc2CNC(=O)[C@@H]2CCCN(c3cnccn3)C2)C1 40112284 WPWYFCUHQSGAIX-DENIHFKCSA-N 407.562 3.241 0 40 HGAB COc1cc(Cl)c(C)cc1NC(=O)c1ccc(F)c(S(=O)(=O)N2CCC2)c1 45095775 NVICVMUQGISABO-UHFFFAOYSA-N 412.870 3.443 0 40 HGAB CCOC(=O)N1CCN([C@@H](C)C(=O)Nc2ccc(OCc3ccccc3)cc2)CC1 57406176 YNMKRGAKTGDCRU-SFHVURJKSA-N 411.502 3.367 0 40 HGAB Cc1ccc(-n2c(=O)c3sccc3n(CC(=O)N3CCCC[C@@H]3C)c2=O)c(C)c1 57492941 ZGEYJTGERVUOQY-INIZCTEOSA-N 411.527 3.232 0 40 HGAB Cc1nn(Cc2ccccc2)c(C)c1C(=O)N[C@H]1CCN(Cc2ccccc2)C1=O 58438583 YUGKJHQCHODIFI-NRFANRHFSA-N 402.498 3.079 0 40 HGAB C[C@](O)(CCc1ccccc1)CNC(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1 62021518 PKIYZPXIKWQPPY-IBGZPJMESA-N 410.392 3.024 0 40 HGAB C[C@@H](Oc1ccc(C(=O)NCc2cccnc2-n2cncn2)cn1)c1ccccc1 65552791 LKSNGWHTMZVNLY-MRXNPFEDSA-N 400.442 3.127 0 40 HGAB Cc1cnc(NC(=O)[C@@H]2CSCN2C(=O)c2cc(-c3ccccc3F)on2)s1 65576445 DSUOHYYGTSMPCC-AWEZNQCLSA-N 418.475 3.399 0 40 HGAB O=C(NCc1ccc(Oc2cccnc2)c(F)c1)Nc1ccc2c(c1)C(=O)NC2=O 65827540 RJZCWDRDVNAQDE-UHFFFAOYSA-N 406.373 3.218 0 40 HGAB CC(C)[C@@H](NC(=O)c1ccccc1)c1nnc(SCC(=O)Nc2cccnc2)n1C 72191603 DUCWTBPDGUPBRV-GOSISDBHSA-N 424.530 3.068 0 40 HGAB Cc1nc(C2CCN(Cc3ccc4[nH]ccc4c3)CC2)ncc1C(=O)N1CCOCC1 72346276 LNNNKVUAMMVQTF-UHFFFAOYSA-N 419.529 3.118 0 40 HGAB COc1ccccc1CCC(=O)N1CCC([C@@H]2C[C@H](C(F)F)n3ncnc3N2)CC1 72395630 SSHRMZHRPXBKMU-DLBZAZTESA-N 419.476 3.149 0 40 HGAB O=C(CCc1ncc(-c2ccccc2Cl)o1)N1CC[C@@H](CN2CCOCC2)C1 78878520 KHVWYIIHMRIBHB-INIZCTEOSA-N 403.910 3.108 0 40 HGAB CCc1ccc(S(=O)(=O)N2CC[C@]3(CCCN(c4ccc(C)nn4)C3)C2)cc1 96217055 VTGJUVCTZUNGBD-NRFANRHFSA-N 400.548 3.029 0 40 HGAB CC(C)CS(=O)(=O)N1CCC2(CC1)C[C@@H](CC(=O)NC(C)C)c1ccccc12 96241980 IUHKBBTWEPIJID-GOSISDBHSA-N 406.592 3.408 0 40 HGAB Cc1c(C)c(C)c(S(=O)(=O)NC[C@H](O)c2ccc3c(c2)CCN3C)c(C)c1C 96362764 ZSIITVDNOLUGNB-NRFANRHFSA-N 402.560 3.233 0 40 HGAB O=C(CCc1ccc2c(c1)OCO2)NCCN1C(=O)S/C(=C/c2ccccc2)C1=O 96926603 GQARACTYVBHYLP-CPNJWEJPSA-N 424.478 3.201 0 40 HGAB COc1cccc(OC)c1CNC(=O)[C@@H]1[C@H]2CC[C@@]3(CC(=O)c4ccccc4O3)[C@@H]21 100124754 RDIRINWVFVEDCU-FMHBECPCSA-N 407.466 3.380 0 40 HGAB COC(=O)C1(NC(=O)N2CCCC3=C[C@H]4C[C@@H](CN5CCCC[C@H]45)[C@@H]32)CCCCC1 100474816 AXQFVZANACODJQ-UWHLTILDSA-N 415.578 3.467 0 40 HGAB biogenic CC1(C)[C@@H]2CC[C@]1(C)C(=O)N(CC(=O)N1CCC(Oc3cccc(F)c3)CC1)C2=O 100773265 ODMNXIBQVWOQBX-WZONZLPQSA-N 416.493 3.007 0 40 HGAB CCn1/c(=N/C(=O)COc2ccc(OC)cc2)sc2c(OC)ccc(OC)c21 102921932 OICIOSIUPDBMNB-MRCUWXFGSA-N 402.472 3.255 0 40 HGAB CCCCN1C(C)=NS(=O)(=O)c2cc(C(=O)Nc3ccc4c(c3)OCO4)ccc21 223117163 SHXVTAPBSZDMPK-UHFFFAOYSA-N 415.471 3.395 0 40 HGAB O=c1[nH]c2cc(Cl)c(S(=O)(=O)Nc3ccc(Br)cc3F)cc2o1 223326505 PJMYPVVLTGZKRS-UHFFFAOYSA-N 421.631 3.477 0 40 HGAB COC(=O)c1cc(S(=O)(=O)Nc2ccc(Br)cc2F)ccc1C 223801745 BAWJZQMYRNHBRP-UHFFFAOYSA-N 402.241 3.484 0 40 HGAB Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)NC[C@@H](C)c2ccccc2)CC1 224347298 BQMNZTQMZZSTIJ-LJQANCHMSA-N 414.571 3.457 0 40 HGAB Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)N[C@@H](C)c3ccc(F)cc3)s2)c1 224591600 KWGFLRIBJFBDRY-LBPRGKRZSA-N 420.491 3.277 0 40 HGAB CCSc1nnc(NC(=O)CN(c2cccc(Cl)c2C)S(C)(=O)=O)s1 224820514 LKYIGPVGPSWSGG-UHFFFAOYSA-N 420.969 3.017 0 40 HGAB COCCN1CC[C@@]2(CN(Cc3ccc(C)s3)C[C@H]2c2cn(C(C)C)cn2)C1=O 306128041 GOMYVPNLMNMZHY-UGKGYDQZSA-N 416.591 3.298 0 40 HGAB CN1c2ccc(NC(=O)c3cc(-c4ccc(F)cc4)c[nH]3)cc2N(C)S1(=O)=O 390827809 KKQOWIOFSVZMFT-UHFFFAOYSA-N 400.435 3.204 0 40 HGAB CCOc1ccc(NC(=O)C(=O)NCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1 408554418 RXEIGBTZJDADQG-UHFFFAOYSA-N 410.257 3.086 0 40 HGAB COc1ccc2c(c1)CC[C@@H]([C@]1(O)C(=O)Nc3ccc(Br)cc31)C2=O 408569726 XGBICLBBSXZZKA-AUUYWEPGSA-N 402.244 3.043 0 40 HGAB COc1ccc2c(c1)C(=O)[C@@H]([C@@]1(O)C(=O)Nc3ccc(Br)cc31)CC2 408570222 ZWXIETYBABAFEM-LIRRHRJNSA-N 402.244 3.043 0 40 HGAB O=C(Nc1c(F)cccc1F)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1 408600772 CIFCESFYCGIRME-LJQANCHMSA-N 416.449 3.493 0 40 HGAB CCOc1ccc(NS(=O)(=O)c2ccc(O[C@H](C)C(=O)NCC(C)C)cc2)cc1 408612013 XXGHMDBFLNBENG-MRXNPFEDSA-N 420.531 3.426 0 40 HGAB CCn1c(SCC(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)nnc1-c1ccc(NC(C)=O)cc1 408637625 LZHJBYYXZHRTPB-QILLFSRXSA-N 413.547 3.320 0 40 HGAB COc1cccc(NC(=O)c2cccc(N3C(=O)c4ccc(C(=O)O)cc4C3=O)c2)c1 408673732 UNLHCUUZASSNRV-UHFFFAOYSA-N 416.389 3.446 0 40 HGAB Cc1ccccc1C(=O)NCc1nnc(SCC(=O)Nc2cccc(C)c2C)n1C 409058060 SCZRHRFJLVSXOO-UHFFFAOYSA-N 423.542 3.401 0 40 HGAB COc1cc(Cl)c(/C=C2\SC(=O)N(CC(=O)NCC(C)C)C2=O)cc1OC 409217232 OECFQLUKBVNSFX-UUASQNMZSA-N 412.895 3.166 0 40 HGAB Cn1cc(NC(=O)CSc2nccn2-c2ccc(C(F)(F)F)cc2)cc1C(N)=O 532308802 IXYRMMCJZZMODE-UHFFFAOYSA-N 423.420 3.059 0 40 HGAB Cc1cc(C)cc(S(=O)(=O)N2CC3(C[C@H](OCc4cccnc4)CS3)C2)c1 575406650 ZMVFMHJQEGZKBO-SFHVURJKSA-N 404.557 3.164 0 40 HGAB Cc1cccnc1Nc1nccnc1[C@H]1CCCN1C(=O)/C=C/c1c(C)nn(C)c1C 585292674 QOAJWKXCWHUYAO-JBVUFVISSA-N 417.517 3.651 0 40 HGAB O=C(CN1CCC(Cn2cnc3cc(F)ccc3c2=O)CC1)Nc1ccccc1F 1849180293 GCQBFTTXYCUQQC-UHFFFAOYSA-N 412.440 3.025 0 40 HGAB Cc1nc(C(C)(C)C)nc(N2CCN(c3ncc(Br)cn3)CC2)c1C 1888869920 FUIFYRHELIUANF-UHFFFAOYSA-N 405.344 3.270 0 40 HGAB O=S(=O)(c1cccc(C(F)(F)F)c1)N1CC[C@H](COc2ccc(F)cn2)C1 1889214609 DAPQKMQYZFOJBY-LBPRGKRZSA-N 404.385 3.329 0 40 HGAB COc1ccc(-c2nc(S(=O)(=O)c3ccccc3)c(N3CCOCC3)o2)cc1 865451 UAQWGNZYFFZLLD-UHFFFAOYSA-N 400.456 3.020 0 40 HGAB CCCS(=O)(=O)c1ccc(COC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1 993411 FDMBIHWXAXXIQQ-GOSISDBHSA-N 415.511 3.275 0 40 HGAB CC(=O)NS(=O)(=O)c1ccc(NC(=O)C(c2ccccc2)c2ccccc2)cc1 3306564 JAQGUAHJLAAAQG-UHFFFAOYSA-N 408.479 3.282 0 40 HGAB COc1ccc(/C=C/C(=O)OCc2cc(=O)n3cc(Br)ccc3n2)cc1 3313649 LQIOGZCZLPKBTM-RUDMXATFSA-N 415.243 3.222 0 40 HGAB COCCNc1nnc(SCC(=O)Nc2ncc(Cl)c(C)c2Cl)s1 3440133 YTBHTVYXJGMJRV-UHFFFAOYSA-N 408.336 3.337 0 40 HGAB O=C(CSc1nnc2ccccn12)Nc1ccccc1I 3519315 FVTXHCHCGJRCSZ-UHFFFAOYSA-N 410.240 3.065 0 40 HGAB CC[C@@H](c1nnc(SCC(=O)Nc2cc(C)on2)n1Cc1ccccc1)N(C)C 3552206 OOIDWWROTQVACY-INIZCTEOSA-N 414.535 3.366 0 40 HGAB CCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCO)cc1OCC 4318715 LMBQTRAINAVQSO-HXUWFJFHSA-N 409.438 3.128 0 40 HGAB CN(C)S(=O)(=O)c1cccc(NC(=O)CSc2nc3ccccc3s2)c1 4965321 UTHGJCKJHOCZDA-UHFFFAOYSA-N 407.542 3.277 0 40 HGAB COc1ccc(C2=Nn3c(nnc3-c3cc(OC)c(OC)c(OC)c3)SC2)cc1 5091912 HXABCVXZWAXPEP-UHFFFAOYSA-N 412.471 3.338 0 40 HGAB CN(C)CCN(C(=O)COc1ccccc1)c1nc2cc3c(cc2s1)OCCO3 5121489 WZCLEWQUPIIWFJ-UHFFFAOYSA-N 413.499 3.041 0 40 HGAB Cc1cc(C)cc(OCC(=O)N(Cc2ccc(F)cc2)[C@H]2CCS(=O)(=O)C2)c1 5215570 JBIHQLONCPPUPV-IBGZPJMESA-N 405.491 3.037 0 40 HGAB COCCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccccc1OC 5861516 PKPVIBZYRHCFKG-UHFFFAOYSA-N 412.515 3.255 0 40 HGAB COc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccc(OC)nc3)c2)cc1 6509370 QGAOHAIQYDLEIG-UHFFFAOYSA-N 413.455 3.152 0 40 HGAB COc1ccc(CCNC(=O)COCc2cc(-c3ccc(F)cc3)on2)c(OC)c1 6876479 KQNYUUPEQKLDFP-UHFFFAOYSA-N 414.433 3.373 0 40 HGAB CC(=O)c1ccc(N2CCN(C(=O)COc3ccc(Br)cc3)CC2)cc1 6976032 MFCZTCOPOCTYIS-UHFFFAOYSA-N 417.303 3.379 0 40 HGAB Cc1ccc(C)c(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)c1 7608204 VPKAKSFMCIGYDE-UHFFFAOYSA-N 408.907 3.230 0 40 HGAB CC(C)[C@H](NC(=O)c1ccccc1S(C)(=O)=O)c1ccc2c(c1)OCCCO2 7985598 YQQCKFWQVBCTMS-FQEVSTJZSA-N 403.500 3.379 0 40 HGAB CCn1nnc2cc(C(=O)N(C)CC(=O)Nc3ccc(Cl)c(Cl)c3)ccc21 8294373 QKPRCZOAKTXIEC-UHFFFAOYSA-N 406.273 3.469 0 40 HGAB CC[C@@H](Oc1ccccc1)C(=O)Nc1nnc(S(=O)(=O)Nc2ccccc2)s1 8588128 WSWNVAUQYMGQBI-OAHLLOKOSA-N 418.500 3.135 0 40 HGAB CCn1nc(C(=O)N[C@@H](c2ccc3c(c2)OCCO3)C(C)C)c2ccccc2c1=O 8935895 HBSYITROWJLVHF-HXUWFJFHSA-N 407.470 3.315 0 40 HGAB Cc1ccc(NC(=O)c2ccc(NC3=N[C@H]4CS(=O)(=O)C[C@H]4S3)cc2)cc1F 9529885 MVEIJHVMGOZYHA-DLBZAZTESA-N 419.503 3.067 0 40 HGAB Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)NCc1ccccc1Cn1cccn1 10235311 BLCSCLSFRGJRIQ-UHFFFAOYSA-N 413.481 3.233 0 40 HGAB O=C(OCc1nc2ccccc2o1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 10777164 FDCDXHIHLYBPDI-CQSZACIVSA-N 418.446 3.111 0 40 HGAB COc1cc(/C=C/C(=O)N2CCC(NC(=O)c3ccccc3)CC2)cc(OC)c1OC 11227265 PXPHZTMPHVPRFQ-MDZDMXLPSA-N 424.497 3.147 0 40 HGAB COc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3ccc(F)cc3)n2)cc1OC 11693350 BPJGAQOSEGRBCI-UHFFFAOYSA-N 411.433 3.486 0 40 HGAB NC(=O)c1ccc(NC(=O)Cc2csc(SCC(=O)c3ccccc3)n2)cc1 11695000 QSLNUBNGMVQBNP-UHFFFAOYSA-N 411.508 3.398 0 40 HGAB COC(=O)CS[C@H](C)C(=O)Nc1nnc(-c2ccc(Br)cc2)s1 11852406 VBSUPUATWAREKE-MRVPVSSYSA-N 416.322 3.201 0 40 HGAB Cn1c(N2CCC(C(=O)Nc3ccc(N4CCOCC4)cc3)CC2)nc2ccccc21 12116316 LDNFHLZGYOMWLF-UHFFFAOYSA-N 419.529 3.265 0 40 HGAB CCCS(=O)(=O)N1CCCc2cc(NS(=O)(=O)C3CCCCC3)ccc21 12180446 QTZGTWGPHZOBRD-UHFFFAOYSA-N 400.566 3.253 0 40 HGAB O=C(NCc1cc(-c2ccccc2)on1)c1ccc(S(=O)(=O)N2CCCC2)cc1 12235455 AMFQWVVALUWTLS-UHFFFAOYSA-N 411.483 3.056 0 40 HGAB NC(=O)NC(=O)[C@H](Sc1nnc(Cc2cccs2)n1C1CC1)c1ccccc1 12778911 PXMXBSJAVPDNBK-MRXNPFEDSA-N 413.528 3.294 0 40 HGAB C[C@@]1(c2ccc3c(c2)OCO3)NC(=O)N(CCCOc2ccc(Cl)cc2)C1=O 12799594 GDBGRCLBZJAGHE-FQEVSTJZSA-N 402.834 3.305 0 40 HGAB CC(=O)N[C@@H](CC(=O)N1CCCN(C)c2nc3ccccc3nc21)c1ccccc1 12819950 JCCFGVJQCFUHEY-FQEVSTJZSA-N 403.486 3.070 0 40 HGAB C[C@@H]1CN(C(=O)c2cccc(S(=O)(=O)Nc3ccccc3Cl)c2)C[C@@H](C)O1 12851048 XOPCLHJVZUKJRI-ZIAGYGMSSA-N 408.907 3.390 0 40 HGAB O=C(Nc1ccccc1)[C@@H]1CSCN1S(=O)(=O)c1cccc(C(F)(F)F)c1 12854961 SRGQNYLCSAUIID-HNNXBMFYSA-N 416.446 3.408 0 40 HGAB O=S(=O)(Nc1cc(Cl)ccc1Cl)c1cccc(S(=O)(=O)NC2CC2)c1 12855587 PIDFRQZKAXTUCP-UHFFFAOYSA-N 421.327 3.235 0 40 HGAB COc1ccc([C@H](CNC(=O)C(=O)Nc2cc(C)on2)c2c[nH]c3ccccc23)cc1 13626564 SDUBRNNIIYUEOD-SFHVURJKSA-N 418.453 3.360 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCCN(C(=O)c3cccc(-n4cccc4)c3)CC2)cc1 14083822 URIOXLCWYWKXDS-UHFFFAOYSA-N 423.538 3.323 0 40 HGAB O=C(CCNC(=O)c1ccccc1)NCCCCCc1nc(-c2cccs2)no1 14249356 RQBURXCZOLRVPS-UHFFFAOYSA-N 412.515 3.447 0 40 HGAB Cc1cc(C(=O)CSc2nnnn2Cc2ccccc2)c(C)n1C[C@@H]1CCCO1 14676642 GLCVCVMRVISENU-SFHVURJKSA-N 411.531 3.294 0 40 HGAB CCOc1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 15582203 HXRWVGVPJXISGR-HNNXBMFYSA-N 406.479 3.264 0 40 HGAB COc1ccc(-c2nc3scc(CCNC(=O)/C=C/c4ccco4)n3n2)cc1OC 16047686 QBCZCTOGYOULKE-SOFGYWHQSA-N 424.482 3.440 0 40 HGAB COc1cc(CN(C)C(=O)CCc2nc3ccccc3c(=O)[nH]2)ccc1OC(F)F 17703678 UIGHOUMHBGZJFV-UHFFFAOYSA-N 417.412 3.124 0 40 HGAB CC(=O)N1CCc2c(O)nc([C@@H]3CCCCN3C(=O)CC3CCCCC3)nc2C1 19018921 UOQORHSDCVCBNO-IBGZPJMESA-N 400.523 3.111 0 40 HGAB CC(=O)Nc1ccc(C(=O)N[C@@H](Cc2cc(=O)[nH]c(C)n2)c2ccc(Cl)cc2)cc1 19285322 HEUTZKSMVGGXRW-FQEVSTJZSA-N 424.888 3.404 0 40 HGAB c1ccc([C@H](c2nnnn2Cc2ccco2)N2CCN(c3ccccc3)CC2)cc1 19369668 ONWFWHSYLVBKNI-JOCHJYFZSA-N 400.486 3.226 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cc(C(C)C)on1 19452765 WARBSNCDFVMMGO-UHFFFAOYSA-N 407.492 3.234 0 40 HGAB CC1(C)Cc2nc(-c3cnccn3)ncc2[C@@H](NC(=O)COc2ccc(F)cc2)C1 19461631 KAZPWAJKVHTJNG-KRWDZBQOSA-N 407.449 3.281 0 40 HGAB COc1cc(C)ccc1OCCn1cncc1-c1cc2c(cc1C)n(C)c(=O)n2C 19719976 QMJPYFYIUDUOSA-UHFFFAOYSA-N 406.486 3.445 0 40 HGAB CN(Cc1ccccc1)C(=O)COc1ccc(Cl)cc1S(=O)(=O)N1CCCC1 19935388 PBQFICSFEWRTPY-UHFFFAOYSA-N 422.934 3.162 0 40 HGAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H]2CCCc3ccccc32)cc1C 20015157 FEVHXMKYSSAJLW-FQEVSTJZSA-N 416.543 3.208 0 40 HGAB COc1ccccc1-c1cnn2c1N=C(O)C[C@@H]2C(=O)Nc1ccc2c(c1)OCO2 20717579 ATHCFGJAVWFROD-OAHLLOKOSA-N 406.398 3.459 0 40 HGAB NC(=O)c1ccsc1NC(=O)CSc1nnc(NCc2ccc(F)cc2)s1 21738020 IEDSQVQRNGETIS-UHFFFAOYSA-N 423.520 3.181 0 40 HGAB CCCOc1cccc(C(=O)NC(=S)Nc2ccc(CN3CCOCC3)cc2)c1 22438149 ACMIKAONQPHHDP-UHFFFAOYSA-N 413.543 3.434 0 40 HGAB CCCCc1oc2ccccc2c1CN1CCN(CC(=O)NCCCOC)CC1 22793208 FHRISHKLKKFOER-UHFFFAOYSA-N 401.551 3.046 0 40 HGAB CC(C)C(=O)N1CCC[C@H](C(=O)N[C@H](c2ccc(Cl)cc2)c2nccn2C)C1 23189165 MREKQBNUWHBZKB-FUHWJXTLSA-N 402.926 3.174 0 40 HGAB COc1ccc(OC)c(CN2CCN(C(=O)CCOc3cccc(C)c3C)CC2)c1 24975863 AXXDHGHHXHJHEL-UHFFFAOYSA-N 412.530 3.434 0 40 HGAB CCOC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(C[C@@H](O)c2ccc(F)cc2)CC1 25225674 MSRZXJQDVOYUCA-NHCUHLMSSA-N 420.912 3.435 0 40 HGAB C/C=C\C1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)[C@H](N)[C@H]2SC1 26892931 KGHADALWBFAJHM-PHCZEZGMSA-N 406.507 3.392 0 40 HGAB CC(C)[C@H](NC(=O)c1cccc(N2C(=O)CCC2=O)c1)c1ccc2c(c1)OCCO2 32740878 RCWWPQPDUMRMBP-QFIPXVFZSA-N 408.454 3.238 0 40 HGAB Cc1ccccc1C(=O)N[C@@H](C(=O)N1CCC[C@H](c2nnc3ccccn23)C1)C(C)C 32830493 QWDZPFUUHNXKND-GHTZIAJQSA-N 419.529 3.198 0 40 HGAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1cnn(-c2ccccc2F)c1C 32903348 FXTADMXUEWBSQY-UHFFFAOYSA-N 413.405 3.376 0 40 HGAB Cc1ccc(NC(=O)Cc2nc(CN3Cc4ccccc4C[C@H]3C(N)=O)cs2)cc1 35351294 HIBHQRPCCRQNGA-FQEVSTJZSA-N 420.538 3.045 0 40 HGAB CCOc1ccc([C@@H]2[C@@H](C(=O)Nc3ccccc3OC)[C@H](C)Nc3ncnn32)cc1 36701559 VWKQDISTZBJYHL-PNHOKKKMSA-N 407.474 3.344 0 40 HGAB Cn1nc(NC(=O)/C=C\c2ccc3c(c2)OCO3)c2c1NC(=O)C[C@@H]2c1cccs1 36705590 SVJQZRZPNCCOHY-SCXUMTSISA-N 422.466 3.336 0 40 HGAB Cc1ccc(NC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cc1Cl 38849705 FXSSQKQVTWDPFW-MRXNPFEDSA-N 415.298 3.468 0 40 HGAB O=C(NCC(F)(F)F)c1ccc(NC(=O)N2CCN(c3ccc(O)cc3)CC2)cc1 40104972 IZVWOWMOKNHWPH-UHFFFAOYSA-N 422.407 3.038 0 40 HGAB O=C(NCCc1cccc(Cl)c1)[C@H]1CCCCN1S(=O)(=O)c1cccs1 40120095 OPXWLOQBRRUIEF-MRXNPFEDSA-N 412.964 3.304 0 40 HGAB CC(C)CCn1c(=O)c2ccccc2n(CC(=O)Nc2cc(F)ccc2F)c1=O 57526057 JIOPLDHTRVWPTQ-UHFFFAOYSA-N 401.413 3.126 0 40 HGAB CCC(=O)N1CCc2cc(C(=O)CN3CCC(O)(c4cccc(C)c4)CC3)ccc21 57811710 ZIUSBNCGNNXTDS-UHFFFAOYSA-N 406.526 3.460 0 40 HGAB O=S(=O)(NC[C@](O)(c1ccccc1)C(F)(F)F)c1ccccc1Br 70762881 UCVKJFJDSUCZKW-AWEZNQCLSA-N 424.238 3.178 0 40 HGAB Cc1noc(-c2ccc(N3CCC[C@@H](C(=O)N[C@@H](C)CCc4ccco4)C3)nc2)n1 77100780 LHWXSWBYTAJISA-MAUKXSAKSA-N 409.490 3.387 0 40 HGAB O=C(Cn1c(=O)oc2ccccc21)N[C@@H]1CCC[C@H](OC(=O)Nc2ccccc2)C1 77200206 IPUCYSVTNBELHA-SJORKVTESA-N 409.442 3.271 0 40 HGAB NC(=O)c1c(Cl)cccc1NC(=O)COc1ccc(Br)cc1F 78934269 AOCNJUFEPJSMQC-UHFFFAOYSA-N 401.619 3.358 0 40 HGAB CC(C)[C@H](CN(Cc1ccc(Cl)c(Cl)c1)c1ccc2nnnn2n1)N(C)C 84410251 DDSVCKRCVJBJII-INIZCTEOSA-N 408.337 3.419 0 40 HGAB COc1ccc(Cl)cc1N1C(=O)[C@H]2[C@H](C1=O)[C@H](C(C)=O)N1C=Cc3ccccc3[C@H]21 95482914 ULBVRRNILONBHC-XSDIEEQYSA-N 422.868 3.453 0 40 HGAB CC(=O)N1CCn2c(-c3cnn(C)c3)cnc2C12CCN(Cc1ccc(C)s1)CC2 96036938 PJTQMGYTAUUZAI-UHFFFAOYSA-N 424.574 3.007 0 40 HGAB O=C(CCc1nnc2ccccn2c1=O)NCCC(c1ccccc1)c1ccccc1 96232051 VEFAUNHQHWRUNJ-UHFFFAOYSA-N 412.493 3.361 0 40 HGAB Cc1nn(-c2nc3ccccc3[nH]2)c(O)c1[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O 100069064 RQLHVLCBGFUEOR-AWEZNQCLSA-N 421.844 3.463 0 40 HGAB O=C1[C@H]2ON=C(c3ccc(Br)cc3)[C@H]2C(=O)N1c1ccc(Cl)cc1 100834109 FCUVVIIKJZMRLZ-HIFRSBDPSA-N 405.635 3.395 0 40 HGAB CN1[C@@H]2CC[C@@H]1CC(NC(=O)c1ccc(Cn3cc(Br)cn3)cc1)C2 100916745 HCFISLPMHJLTBY-QZTJIDSGSA-N 403.324 3.049 0 40 HGAB O=C(Nc1ccccc1)[C@@H](Cc1ccccc1)N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O 102086340 WHSWQTACPBUGIX-RWAISMCRSA-N 412.489 3.290 0 40 HGAB COc1cc(/C=C2\SC(=O)NC2=O)ccc1OS(=O)(=O)c1ccc(C)cc1 106693417 SKARZPNZVLESOK-YBEGLDIGSA-N 405.453 3.095 0 40 HGAB CC(C)(C)SCCNC(=O)CCCN(c1ccc(F)c(F)c1)S(C)(=O)=O 113965467 IQIFNBSCLVVQFJ-UHFFFAOYSA-N 408.536 3.159 0 40 HGAB O=C(NC[C@H](O)c1ccc(C(F)(F)F)cc1)c1ccccc1S(=O)(=O)C(F)F 206713028 LQASMMOASMYVQZ-ZDUSSCGKSA-N 423.359 3.165 0 40 HGAB Cc1ccc(OC[C@H](C)NC(=O)CCCN(c2cccc(C)c2)S(C)(=O)=O)cc1 219622602 AVEZELMSJMQWIO-IBGZPJMESA-N 418.559 3.433 0 40 HGAB COc1ccc(OC)c(S(=O)(=O)NCCNc2ccnc3cc(Cl)ccc23)c1 222977509 XNWZVFZUPJIETF-UHFFFAOYSA-N 421.906 3.296 0 40 HGAB Cc1ccc(S(=O)(=O)N(C)Cc2ncc(C(=O)NC3CCCCCC3)cn2)cc1 223386263 HMFXSFGBCMWPSK-UHFFFAOYSA-N 416.547 3.058 0 40 HGAB CN(C)S(=O)(=O)N(C)c1ccc(C(=O)Nc2ccc3c4c(cccc24)CC3)cc1 224193331 JJRREGWESODGRF-UHFFFAOYSA-N 409.511 3.433 0 40 HGAB Cc1ccc(N(CCCC(=O)NCCOc2ccccc2Cl)S(C)(=O)=O)cc1 224628349 ZEHPGVPKQUGABU-UHFFFAOYSA-N 424.950 3.390 0 40 HGAB CCNC(=O)c1cc(S(=O)(=O)Nc2ccc(OC(F)(F)F)cc2)ccc1OC 224876157 LIOSQBAJZLCHCZ-UHFFFAOYSA-N 418.393 3.144 0 40 HGAB CCc1cccc(C)c1NS(=O)(=O)c1ccc(OC)c(N2C(=O)CCC2=O)c1 225311913 AVWAULGNISLCSH-UHFFFAOYSA-N 402.472 3.020 0 40 HGAB Cn1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1CCC(=O)Nc1ccccc1 225532459 YRLAOJWACBZBGW-LEWJYISDSA-N 405.527 3.421 0 40 HGAB O=C(NCCCc1ccccc1Cl)c1ccc(S(=O)(=O)N2CCCC2)cc1 225569391 NWLMZQTVKJYSNA-UHFFFAOYSA-N 406.935 3.487 0 40 HGAB Cc1ccccc1Cc1cccc([C@H]2CN(CC(=O)NCc3ccccn3)CCO2)n1 257205016 AXFYBKKNXLJBFC-XMMPIXPASA-N 416.525 3.066 0 40 HGAB Cc1ccc(Cl)cc1N([C@H](C)C(=O)NCCOCc1ccccc1)S(C)(=O)=O 260841824 DHEXMSFNDXRZEU-MRXNPFEDSA-N 424.950 3.136 0 40 HGAB CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)NC(C)(C)C)CC1 408559863 ZMLYKEDVBPOVAG-UHFFFAOYSA-N 402.944 3.054 0 40 HGAB COc1ccc(NC(=O)CCCN(c2cccc(C)c2)S(C)(=O)=O)c(OC)c1 408679476 LXFPEIAIZOCPFN-UHFFFAOYSA-N 406.504 3.197 0 40 HGAB COc1cccc(/C=C2\SC(=O)N(CC(=O)N(C(C)C)C(C)C)C2=O)c1OC 409216356 KGHUFOFDYBMGOU-YBEGLDIGSA-N 406.504 3.386 0 40 HGAB COc1ccc(C)cc1S(=O)(=O)N1CCC(C(=O)N[C@@H](C)c2ccccc2)CC1 409370750 UAJNROUPSAHGNP-KRWDZBQOSA-N 416.543 3.282 0 40 HGAB CN(c1nncs1)S(=O)(=O)c1ccc(Br)c(Cl)c1Cl 567414292 OIBSGKDVCIPWSA-UHFFFAOYSA-N 403.110 3.433 0 40 HGAB O=C(c1cc(O)nc2ccccc12)N1CCC[C@@H](n2cnc3ccccc3c2=O)C1 575615093 BFXFMMWLIBQAIA-OAHLLOKOSA-N 400.438 3.128 0 40 HGAB COCCN1C(=O)C[C@@H](CNC(=O)c2cc(C)cc(C)c2)[C@@H]1c1cnn(C(C)C)c1 583622079 KHLUKECKIVJHLS-SIKLNZKXSA-N 412.534 3.047 0 40 HGAB Cc1cc(OC[C@@]2(O)CCCN(C(=O)CN3CCC(C)CC3)C2)cc(C)c1Cl 585271555 HKBVUSPECSSKGS-JOCHJYFZSA-N 408.970 3.421 0 40 HGAB COc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)N[C@@H]3C[C@H]4CC[C@H]3C4)c2)cc1 1073668469 GJBJIHZPJSKDAN-CKJXQJPGSA-N 414.527 3.439 0 40 HGAB COc1cc(/C=C/c2nn3c([C@H]4CCCN(C)C4)nnc3s2)cc(OC)c1OC 1505838471 YEPLRUAROODKJH-NPQIQWPPSA-N 415.519 3.191 0 40 HGAB O=C(NCC1(N2CCOCC2)CCSCC1)c1csc(-c2ccccc2)n1 1775976254 XGBCKGRKEKCZFT-UHFFFAOYSA-N 403.573 3.138 0 40 HGAB CCOC(=O)CSc1nnc(CSc2nc(C)cc(C)n2)n1Cc1ccco1 906955 GVNVUFAIRXUQBQ-UHFFFAOYSA-N 419.532 3.274 0 40 HGAB COc1ccc2c(C)c(CCC(=O)NCC3CCC(C(=O)O)CC3)c(=O)oc2c1 2097941 XCZUEXMXPCXDMO-UHFFFAOYSA-N 401.459 3.050 0 40 HGAB biogenic CN(C1CCCC1)S(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1 5373398 GLAHPGMRBFXZDX-UHFFFAOYSA-N 416.499 3.273 0 40 HGAB CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)O[C@H](C)C(=O)c2ccc(F)cc2)cc1 5915219 JPXNKZWBHGLCDO-ZIAGYGMSSA-N 407.463 3.331 0 40 HGAB Cc1ccc(/C=C/S(=O)(=O)NCC(=O)OCC(=O)c2ccc(Cl)s2)cc1 5938426 AOHIUWJVWZSZIA-CMDGGOBGSA-N 413.904 3.026 0 40 HGAB CCOc1ccc(-c2nc3s/c(=C/C=C/c4ccccc4OC)c(=O)n3n2)cc1 6355371 ZYMQFPGNHWLQDV-ZLLVOAMZSA-N 405.479 3.438 0 40 HGAB Cc1cc(C)c2c(N)c(-c3nnc(SCC(N)=O)n3-c3ccccc3)sc2n1 6386860 FUGPHFWCFHJBQI-UHFFFAOYSA-N 410.528 3.320 0 40 HGAB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccc(OCC(=O)O)c(OC)c3)S2)cc1 6394985 IXRLELRKWMFXRU-VTCDDQIKSA-N 414.483 3.321 0 40 HGAB Cc1cn2c3c(=O)n(CCCc4ccccc4)c(=O)n(C)c3nc2n1-c1ccccc1 6804480 YNRLRDQFBMHPOX-UHFFFAOYSA-N 413.481 3.080 0 40 HGAB O=C(NCCSc1ccccc1)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 7434614 BZLOMPJFLVTGFA-OAHLLOKOSA-N 410.586 3.057 0 40 HGAB COc1cccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(SC)cc3)CC2)c1 8040730 JHXYJOZCDREQEU-UHFFFAOYSA-N 420.556 3.457 0 40 HGAB CCc1ccc(NC(=O)Cn2nc(CNC(=O)c3ccccc3C)n(C)c2=S)cc1 8086201 FJCMJWHWICCLOY-UHFFFAOYSA-N 423.542 3.391 0 40 HGAB CCOc1ccc(NC(=O)Cc2c(F)cccc2Cl)cc1S(=O)(=O)N(C)C 8348429 AKGZEFOFFJOFRN-UHFFFAOYSA-N 414.886 3.309 0 40 HGAB O=C(C[C@H]1OC(=O)c2ccccc21)Nc1ccc2nc(N3CCOCC3)sc2c1 8391499 VLTMXOBDUSOXPX-QGZVFWFLSA-N 409.467 3.373 0 40 HGAB O=C1C[S@@](=O)[C@@H](c2ccc(Cl)cc2)C(=O)N1c1ccc(Br)cc1 8733526 VTMXCIQKXXSKDD-WNSKOXEYSA-N 412.692 3.466 0 40 HGAB COCCCNC(=O)CSc1nc2ccccc2c(=O)n1-c1cccc(Cl)c1 9175683 ZAEJMFKOXHHAQD-UHFFFAOYSA-N 417.918 3.284 0 40 HGAB COC(=O)c1ccc(CSc2nc(O)c3cnn(-c4ccc(OC)cc4)c3n2)o1 9521992 QMRUQKUJWALAIR-UHFFFAOYSA-N 412.427 3.202 0 40 HGAB Cc1cccc(-c2nc3scc(CCNC(=O)C(=O)Nc4ccc(F)cc4)n3n2)c1 9569083 IDPNNFGZODKXAA-UHFFFAOYSA-N 423.473 3.203 0 40 HGAB O=C(COC(=O)c1ccc(S(=O)(=O)C(F)F)cc1)Nc1cc(Cl)ccc1F 9788092 LDQWWQUDBKJFJF-UHFFFAOYSA-N 421.780 3.271 0 40 HGAB Cc1cccc(CCCNC(=O)c2ccc(C)c(S(=O)(=O)N3CCCC3)c2)c1 10110786 KYWAZIBBPYFZEB-UHFFFAOYSA-N 400.544 3.451 0 40 HGAB CCOc1ccc(CNS(=O)(=O)c2ccc(OC)c(Br)c2)cc1 10448834 NMYQRJCDCSGWKL-UHFFFAOYSA-N 400.294 3.335 0 40 HGAB CCOc1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2C)cc1 10448936 RKBKPUCFYZNTSK-UHFFFAOYSA-N 402.516 3.108 0 40 HGAB COc1ccc(-c2noc(COC(=O)c3ccc(Cn4cccn4)cc3)n2)cc1OC 10822399 ASXFEJBNWINPBL-UHFFFAOYSA-N 420.425 3.356 0 40 HGAB CN(C)c1ccc(NC(=O)C[C@H]2CCCCN2S(=O)(=O)c2ccccc2)cc1 11612732 DQTXGODUWGQWRN-LJQANCHMSA-N 401.532 3.325 0 40 HGAB CC(=O)Nc1ccc(NC(=O)COc2cccc(N3CCCC3=O)c2)cc1Cl 12737736 JBOITIONLGSUDE-UHFFFAOYSA-N 401.850 3.443 0 40 HGAB COc1ccc(C(=O)N2c3ccccc3CC[C@H]2C)cc1S(=O)(=O)N1CCCC1 12771539 QOEVUOCLENLYJY-MRXNPFEDSA-N 414.527 3.461 0 40 HGAB CSc1ccc(CN(C)C(=O)c2ccc3c(c2)C[C@H](C)N3S(C)(=O)=O)cc1 12810185 ATUOFMPNSINXCE-AWEZNQCLSA-N 404.557 3.391 0 40 HGAB O=C(CN1CCN(C(=O)COc2cccc(Cl)c2)CC1)Nc1ccccc1Cl 12820124 NGGPYTMRGMENOD-UHFFFAOYSA-N 422.312 3.155 0 40 HGAB O=C1CCc2cc(-c3csc(NC(=O)[C@@H]4Cc5ccccc5C(=O)O4)n3)ccc2N1 13108271 MDCSBQDVFZRDQC-SFHVURJKSA-N 419.462 3.415 0 40 HGAB CC[C@H](C(=O)NCCSC(C)(C)C)N(c1ccc(C)c(C)c1)S(C)(=O)=O 13716456 BWVKUUOTTYHUFE-QGZVFWFLSA-N 400.610 3.496 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C)c3ccc(F)cc3)CC2)cc1 15388958 YGBMHDXXJAGBRQ-MRXNPFEDSA-N 404.507 3.412 0 40 HGAB Cc1ccccc1NC(=O)C(=O)NC[C@H](c1cccnc1)N1CCc2ccccc2C1 15882595 ZOXHHCDHODNSKB-HSZRJFAPSA-N 414.509 3.244 0 40 HGAB CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N2CC(=O)Nc3ccccc32)c1 15912377 GGXYUPKPCVVCEP-UHFFFAOYSA-N 421.478 3.111 0 40 HGAB O=C(NCCn1cc2c(n1)[C@H]1CN(C(=O)C3CCCCC3)C[C@H]1CC2)c1ccccc1 19369080 AINCAXSKEVEISE-IRLDBZIGSA-N 420.557 3.382 0 40 HGAB Cc1nc([C@H](Cc2c[nH]c3ccccc23)NC(=O)c2sc(C)nc2C)cc(=O)[nH]1 19560220 KMCRGDIGCHQKFR-KRWDZBQOSA-N 407.499 3.347 0 40 HGAB COc1cccc(-c2cc(-c3cccnc3)nn2CCNC(=O)Cc2ccccn2)c1 19566612 JZUAXVQLWSODAA-UHFFFAOYSA-N 413.481 3.375 0 40 HGAB COc1ccccc1N1C[C@@H](c2cc(=O)[nH]c(N[C@@H]3CCc4ccccc43)n2)CC1=O 19571066 MJPUJDFQDJVRDP-FUHWJXTLSA-N 416.481 3.398 0 40 HGAB CCc1nccn1CCC(=O)N1CCO[C@@H](c2nccnc2-c2cccc(F)c2)C1 19693052 SJKCBSRBMVKNSE-GOSISDBHSA-N 409.465 3.032 0 40 HGAB Cc1nc([C@H]2CCCCN2C(=O)CCc2nnc(C(C)C)o2)nc2c1CCCN2C 19706812 YLZNVINJPHTGQK-QGZVFWFLSA-N 412.538 3.360 0 40 HGAB COc1ccc(NC(=O)C[C@@H]2C(=O)N(C[C@H]3CCCO3)c3nc4ccccc4n32)cc1 19817523 RDKDDEUEQQYNOC-YLJYHZDGSA-N 420.469 3.140 0 40 HGAB C[C@H](NC(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O)c1ccc(F)cc1 20460116 VPHVWLBJHCGCMM-LBPRGKRZSA-N 418.412 3.488 0 40 HGAB O=C(C[C@@H]1C(=O)Nc2nc(-c3ccccc3)nn21)Nc1ccc(Br)cc1 20746041 PWLZFVKUYRYCRO-CQSZACIVSA-N 412.247 3.230 0 40 HGAB O=C(Cc1cccs1)NCCc1ccc(S(=O)(=O)NC2CCCCC2)cc1 22227161 CZQVQXHUWBYTAT-UHFFFAOYSA-N 406.573 3.261 0 40 HGAB Cc1ccc(OCCNC(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 22358808 VZZGBLRGCUFESZ-UHFFFAOYSA-N 408.424 3.319 0 40 HGAB CCOC(=O)c1ccc(NC(=O)CN(c2c(C)cc(C)cc2C)S(C)(=O)=O)cc1 22381569 IBXYEFCGWNWVLA-UHFFFAOYSA-N 418.515 3.193 0 40 HGAB CCCOc1ccc(N(CC(=O)NCCCc2cccc(C)c2)S(C)(=O)=O)cc1 22394531 OSRSNNIYASDOJD-UHFFFAOYSA-N 418.559 3.299 0 40 HGAB COc1ccc(CN(C)C(=O)CNC(=O)Cc2cccc3ccccc23)c(OC)c1 23039861 ZRKWUEPYXLFTRE-UHFFFAOYSA-N 406.482 3.174 0 40 HGAB O=C(c1ccco1)N1CCC(C(=O)N2CCN(Cc3ccc(Cl)s3)CC2)CC1 23640530 ZUJMANGNKFSCIX-UHFFFAOYSA-N 421.950 3.191 0 40 HGAB COc1cc(C(=O)NCC(=O)NCc2ccco2)cc(Cl)c1OCCC(C)C 24180645 XSCNYMIKGVXUKQ-UHFFFAOYSA-N 408.882 3.413 0 40 HGAB Cc1ccc(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2C)cc1S(N)(=O)=O 25448763 WLKPYEYHNDDIHX-UHFFFAOYSA-N 404.879 3.042 0 40 HGAB O=C(NC12CC3CC(CC(C3)C1)C2)[C@H]1CS[C@H](Cc2ccc(F)cc2)C(=O)N1 25594096 JDIQFYSLEXJIDB-BXJVNKMFSA-N 402.535 3.053 0 40 HGAB O=C([C@@H]1CC(=O)N(c2ccccc2Cl)C1)N1CCC(c2nnc3ccccn23)CC1 28735475 SZJUECVKVBLBJW-MRXNPFEDSA-N 423.904 3.142 0 40 HGAB CCOCCCNc1nnc(SCC(=O)NCCSc2ccccc2)s1 32777434 PDENUVZOAUHHNP-UHFFFAOYSA-N 412.606 3.377 0 40 HGAB Cc1cc(C)n2ncc(C(=O)N(C)CCOc3ccc(Br)cc3)c2n1 32795390 JYLNTYIDZUFWRV-UHFFFAOYSA-N 403.280 3.260 0 40 HGAB Cc1cc(C)c(NC(=O)CNC(=O)[C@H]2CCCCN2C(=O)c2cccs2)c(C)c1 32908315 ISNMDIHVHOQVNT-QGZVFWFLSA-N 413.543 3.423 0 40 HGAB C[C@H]1CN(C(=O)c2ccccc2NC(=O)c2cc3ccccc3c(=O)[nH]2)C[C@@H](C)O1 32909956 JPCUYSOGSCYXJM-GASCZTMLSA-N 405.454 3.030 0 40 HGAB COc1ccccc1-n1c(SCC(=O)NCc2ccco2)nnc1-c1ccccn1 35289133 HRAKKHSRTWDEME-UHFFFAOYSA-N 421.482 3.339 0 40 HGAB O=C1OCCN1Cc1nc(-c2ccc(S(=O)(=O)N3CCCCCC3)cc2)cs1 36393245 PYEWCMCPUWPNIT-UHFFFAOYSA-N 421.544 3.327 0 40 HGAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)NC2CCCCC2)cc1Cl 39986479 RAEBXPAFCHMHKH-UHFFFAOYSA-N 402.944 3.198 0 40 HGAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)NCC1(N2CCOCC2)CCCCC1 39996846 XJVQGHZDISHWOH-QFIPXVFZSA-N 411.546 3.102 0 40 HGAB COc1cccc(CN(C)C(=O)C[C@H](NC(N)=O)c2ccc(Br)cc2)c1 40069583 HEUMASOGYHTBEL-KRWDZBQOSA-N 420.307 3.216 0 40 HGAB C[C@H]1C[C@@H](C(N)=O)c2ccccc2N1C(=O)COc1ccc(Br)cc1F 40069794 XJRMDJTWHFMVQL-SMDDNHRTSA-N 421.266 3.361 0 40 HGAB CCS(=O)(=O)N(C)CCCNC(=O)c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 40094787 ZHTXEGFXWPIRRG-OAHLLOKOSA-N 400.610 3.301 0 40 HGAB COc1ccc(OC)c([C@@H](C)NC(=O)[C@@H]2CCCN(c3ccc(Cl)nn3)C2)c1 40131404 BKFQIDINDQHUPC-ZIAGYGMSSA-N 404.898 3.241 0 40 HGAB CCOc1ccc(C(=O)NCc2cc(=O)n3nc(-c4cccc(C)c4)sc3n2)cc1 41078180 WADFLCQFPKJWSE-UHFFFAOYSA-N 420.494 3.455 0 40 HGAB O=C(NC[C@@H]([C@H]1CCOC1)N1CCOCC1)Nc1ccc(Cl)c(C(F)(F)F)c1 48287093 XUHRLTPEVOGWRX-LRDDRELGSA-N 421.847 3.218 0 40 HGAB CSc1cccc(NC(=O)Cn2cnc3c(-c4ccncc4)nsc3c2=O)c1 49401656 NZIDLEAQVZUYHC-UHFFFAOYSA-N 409.496 3.276 0 40 HGAB C[C@H](Nc1cnn(-c2ccccc2)c(=O)c1Cl)c1ccc(S(C)(=O)=O)cc1 52720314 PVRXTKNAKCQYOR-ZDUSSCGKSA-N 403.891 3.463 0 40 HGAB CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)[C@@H]1CC(=O)N(C2CC2)C1 57596359 MXCXICKQBJZMGG-GFCCVEGCSA-N 412.317 3.181 0 40 HGAB CCCCc1ccc(NC(=O)Cn2ccn(-c3ccc(OCC)cc3)c(=O)c2=O)cc1 67256148 LFRXGXFSWBEUEZ-UHFFFAOYSA-N 421.497 3.379 0 40 HGAB CSc1cccc(NC(=O)Cn2nnc(C(=O)Nc3ccc(F)c(F)c3)c2C)c1 67322692 UGIDUYGFYHUBJE-UHFFFAOYSA-N 417.441 3.478 0 40 HGAB Cc1cc2c(cc1CN1CCc3n[nH]c(Nc4cccc(F)c4)c3C1)n(C)c(=O)n2C 72352763 LUHUWTXOHCZEGF-UHFFFAOYSA-N 420.492 3.350 0 40 HGAB Nc1ncc(-c2ccc(C(F)(F)F)cc2)c([C@@H]2CCCN2C(=O)c2cc[nH]n2)n1 72354872 YQYIUCICPJKTPH-HNNXBMFYSA-N 402.380 3.445 0 40 HGAB COc1ccc(-c2cnc(N(C)C)nc2C2CCN(C(=O)c3ccno3)CC2)cc1 72376677 RRKDEPMUCGEQJD-UHFFFAOYSA-N 407.474 3.226 0 40 HGAB CCC[C@H](NC(=O)[C@@H](C)OC(=O)c1c[nH]c(=O)c(Br)c1)c1ccccc1 79052504 GJTFGFNDUMKLTN-WBMJQRKESA-N 421.291 3.340 0 40 HGAB O=C(CN1CCN(CCOc2ccc(Cl)cc2Cl)CC1)N1CCCCC1 89768400 DWLQEOMXKWDMPF-UHFFFAOYSA-N 400.350 3.002 0 40 HGAB COc1cc(NC(=O)c2cccc(NC(=O)[C@@H]3CCCO3)c2)ncc1Br 95447639 OTJDLWYZNSQFEM-AWEZNQCLSA-N 420.263 3.223 0 40 HGAB COc1cc(S(=O)(=O)Nc2cc(Cl)c(O)c(Cl)c2)cc(C(=O)O)c1OC 95452396 KSQZXEYCXCKVDL-UHFFFAOYSA-N 422.242 3.215 0 40 HGAB CN(CCN(C)C(=O)[C@]1(C)CCCN(C(=O)c2ccccc2)C1)C(=O)OC(C)(C)C 95982770 YKCARWINOBESAW-HSZRJFAPSA-N 417.550 3.254 0 40 HGAB CC[C@@H](C)NS(=O)(=O)c1ccc(NCCc2ccc(OC)cc2)c(C(=O)O)c1 217560120 ZSGCFBBZXAETCT-CQSZACIVSA-N 406.504 3.125 0 40 HGAB CCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)COc1ccccc1 223033553 ZSALUWLYLXEOJT-OAHLLOKOSA-N 419.319 3.381 0 40 HGAB COc1ccc(C(=O)N2c3ccc(S(=O)(=O)N4CCCCC4)cc3C[C@@H]2C)cc1 223088746 DRDINQRAFCGKAW-INIZCTEOSA-N 414.527 3.461 0 40 HGAB CCC(=O)N(Cc1ccc(F)cc1)[C@@H](Cc1ccccc1)C(=O)NC[C@H]1CCCO1 223194939 CNOLLPDZNFXUIT-YADHBBJMSA-N 412.505 3.471 0 40 HGAB CCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CCc1ccc2c(c1)OCCO2 223678835 VXHWOLPSYBZKCK-GOSISDBHSA-N 410.514 3.252 0 40 HGAB O=C(CCN1C(=O)c2ccccc2C1=O)NCCNc1ccnc2cc(Cl)ccc12 225875191 JUZPSDHHVLJKQW-UHFFFAOYSA-N 422.872 3.103 0 40 HGAB CCOc1ccc(N([C@H](C)C(=O)N[C@H]2CCCc3ccccc32)S(C)(=O)=O)cc1 260409006 ZLQMSTIEXXBSJW-IERDGZPVSA-N 416.543 3.434 0 40 HGAB CC(C)NC(=O)[C@H](C)Oc1ccc(S(=O)(=O)N[C@H](C)CCc2ccccc2)cc1 408595849 VJZMIPJCLVRGKH-MSOLQXFVSA-N 418.559 3.278 0 40 HGAB CS(=O)(=O)N[C@@H]1CCCC[C@@H]1CNC(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1 581088409 CIXHKGKOVUEYQX-MXEMCNAFSA-N 400.544 3.168 0 40 HGAB COc1c(C)cnc(Cn2c(=O)n(Cc3cccc(C)c3)c(=O)c3nscc32)c1C 1565519323 LXTIZIKMNJPJKB-UHFFFAOYSA-N 422.510 3.045 0 40 HGAB C[C@@H]1CN(Cc2ccccc2NC(=O)NCc2cc3c(nc2O)CCC3)C[C@@H](C)O1 1667392466 ZXDYFOQZNHDGOD-HZPDHXFCSA-N 410.518 3.207 0 40 HGAB Cc1ccc(C)c(OCC(=O)N2CCC(Cn3nc4c(cc3=O)CCCC4)CC2)c1 1775995024 MDGUTSGSQAAJNI-UHFFFAOYSA-N 409.530 3.057 0 40 HGAB O=C(Cc1ccc(F)cc1F)N1CCC(Oc2ncc(Br)cn2)CC1 1776009779 QBAOBIMDKKTXAJ-UHFFFAOYSA-N 412.234 3.130 0 40 HGAB CC(=O)c1ccc(NC(=O)CSc2nnc(CNc3ccc(F)cc3)n2C)cc1 874005 KHTVZWPBCBMQQV-UHFFFAOYSA-N 413.478 3.500 0 40 HGAB Cc1cc(S(=O)(=O)NC(c2ccccc2)c2ccccc2)ccc1-n1cnnn1 1341990 LREOYHQYKRHTEP-UHFFFAOYSA-N 405.483 3.039 0 40 HGAB COC(=O)[C@@](NNc1ccccc1)(NC(=O)c1ccc(Cl)cc1)C(F)(F)F 2050358 GCVWWGVSROWQRQ-INIZCTEOSA-N 401.772 3.118 0 40 HGAB CC(C)(C)C(=O)N[C@@H](N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2)C(Cl)(Cl)Cl 2129605 PPEDLGLAIQXYQN-HUBLWGQQSA-N 420.768 3.126 0 40 HGAB CCCCOc1ccc(NC(=O)[C@@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@@H]3OC(C)(C)O[C@@H]23)cc1 2475805 BCTINLARZZWKRE-HGJKNBTDSA-N 421.490 3.201 0 40 HGAB biogenic COC(=O)c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(OC)cc2)o1 2647291 CGHXLQCFKYPIKH-UHFFFAOYSA-N 415.467 3.466 0 40 HGAB COC(=O)c1c(NC(=O)Cc2ccc(Cl)cc2Cl)sc(C(N)=O)c1C 2789382 ABJNXNLWRKKHCH-UHFFFAOYSA-N 401.271 3.430 0 40 HGAB O=C(COC(=O)/C=C/c1ccc2c(c1)OCO2)Nc1ccccc1Br 3228671 HXHGJXLCALHLEG-SOFGYWHQSA-N 404.216 3.373 0 40 HGAB C[C@]12CCC(=O)N1[C@H](C(=O)Nc1nc(SCc3ccccc3)ns1)CS2 3424685 SNKHHBRAYJEFRD-SJCJKPOMSA-N 406.558 3.223 0 40 HGAB CC(=O)c1ccccc1NC(=O)CN1C(=O)N[C@](C)(c2cccc3ccccc23)C1=O 4477512 OWCQSQYEWUQUSZ-XMMPIXPASA-N 415.449 3.448 0 40 HGAB Cc1cc(C)cc(NC(=O)Cn2nnc(C(=O)Nc3cccc(Cl)c3C)c2N)c1 5043092 JTEMBWQRDOLESQ-UHFFFAOYSA-N 412.881 3.330 0 40 HGAB CSc1nnc(SCc2cc(=O)n3cc(Br)ccc3n2)s1 6149192 IANCFTQQXVXUPY-UHFFFAOYSA-N 401.336 3.323 0 40 HGAB C[C@]1(c2cccc3ccccc23)NC(=O)N(CC(=O)N2CCc3ccccc3C2)C1=O 6552081 SYQVHRMLOBIJRD-RUZDIDTESA-N 413.477 3.192 0 40 HGAB Cn1c(SCC(=O)NC(=O)NCc2ccccc2)nnc1-c1ccc(Cl)cc1 6790170 XOIDBSCDGWUMQK-UHFFFAOYSA-N 415.906 3.254 0 40 HGAB COc1cc(CNCCCN(C)C)cc(Br)c1OCc1cccnc1 6871417 BQZDINYFJDVNHC-UHFFFAOYSA-N 408.340 3.473 0 40 HGAB COCCNC(=S)Nc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1C 7527743 YKLVYRXZFIXZGJ-UHFFFAOYSA-N 413.952 3.382 0 40 HGAB COc1ccc(C(=O)N[C@@H](C(=O)OCC(=O)Nc2ccc3c(c2)CCC3)C(C)C)cc1 7989659 ICJUQFAINRGBCX-JOCHJYFZSA-N 424.497 3.120 0 40 HGAB Cc1cc(=O)c(C(=O)NCc2ccccc2CN2CCCC2)nn1-c1ccccc1F 8013090 XTJKDRJGVMJERH-UHFFFAOYSA-N 420.488 3.206 0 40 HGAB O=C(CSc1nnc(NC[C@H]2CCCO2)s1)Nc1ccc(N2CCCC2)cc1 8157197 RLEIRHIYELQGTO-MRXNPFEDSA-N 419.576 3.460 0 40 HGAB CCc1ccccc1NC(=O)COC(=O)CCC(=O)Nc1ccc(NC(C)=O)cc1 8415186 ZPHJTDYWNXNIFF-UHFFFAOYSA-N 411.458 3.108 0 40 HGAB COc1cc(S(=O)(=O)Nc2cc(OC)c(Cl)cc2OC)c(OC)cc1C 8715003 DSOHAFBPHAOIIY-UHFFFAOYSA-N 401.868 3.484 0 40 HGAB O=C(Oc1ccc(F)cc1)c1nc(S(=O)(=O)Cc2ccccc2)ncc1Cl 9206519 VQJWMEIIOWQMSL-UHFFFAOYSA-N 406.822 3.462 0 40 HGAB COc1ccc(CCSC2=N[C@H]3CS(=O)(=O)C[C@H]3N2c2ccc(F)cc2)cc1 9422034 RYUYHMMCIRKJEQ-RBUKOAKNSA-N 420.531 3.152 0 40 HGAB COc1ccc(NC(=O)CC[C@@H]2N=C(O)N([C@@H](C)c3ccccc3)C2=O)c(OC)c1 9485218 ZWCLRDJCDVKYAZ-KSSFIOAISA-N 411.458 3.309 0 40 HGAB CC(C)OC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)cc1 9508434 QXTHQXBKYGUCCL-INIZCTEOSA-N 424.453 3.015 0 40 HGAB O=S(=O)(c1ccc(SCc2cccc(C(F)(F)F)c2)nc1)N1CCOCC1 10094629 RRFAHTBCRYTRHS-UHFFFAOYSA-N 418.462 3.414 0 40 HGAB COC(=O)c1ccc2c(=O)n(C[C@@H]3CCCO3)c(SCc3cccnc3)nc2c1 12538111 KJHDIHRSFGSMIK-INIZCTEOSA-N 411.483 3.049 0 40 HGAB Cc1cc(NC(=O)[C@H](C)SCC(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)no1 12581314 UHLKEQXFTRPQGH-XJKSGUPXSA-N 413.503 3.283 0 40 HGAB O=C([C@@H](c1ccccc1)n1nnc(-c2ccccc2Br)n1)N1CCCC1 12595768 WOHCMKSVHZOYQM-QGZVFWFLSA-N 412.291 3.314 0 40 HGAB Cc1cc(C)nc(SCC(=O)N2CCC(c3noc(-c4ccncc4)n3)CC2)n1 12669220 BKQPZWNOBKWCMW-UHFFFAOYSA-N 410.503 3.037 0 40 HGAB Cc1cccc(OCCNC(=O)NCC(=O)Nc2ccc(Br)cc2C)c1 12880861 SLDILHGXKCAYPU-UHFFFAOYSA-N 420.307 3.383 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC(=O)NCc2ccccc2F)cc1 12996450 CRLGDTBRFZCOAP-OAHLLOKOSA-N 407.511 3.417 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NCC(=O)Nc2ccccc2OC)cc1 13038629 RBCOZARGHBJYNL-MRXNPFEDSA-N 419.547 3.015 0 40 HGAB COc1ccc(S(=O)(=O)NCc2cccc(C)c2)cc1C(=O)N1CCCCCC1 13669842 PFOCCTRVBDQCNH-UHFFFAOYSA-N 416.543 3.498 0 40 HGAB COc1ccc(S(=O)(=O)NCc2ccc(COCC(F)(F)F)cc2)cc1OC 14099695 CSVQFDLWZCUQRX-UHFFFAOYSA-N 419.421 3.261 0 40 HGAB CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@@H](C)c2ccccc2OC)ccc1OC 15471540 WYEVSPACEUOAMD-HNNXBMFYSA-N 420.531 3.225 0 40 HGAB CCc1ccc(S(=O)(=O)Nc2ccc(-c3ccc(N4CCOCC4)nn3)cc2)cc1 15882169 INTLQUGWBIRZTQ-UHFFFAOYSA-N 424.526 3.343 0 40 HGAB CCCC(=O)Nc1ccc(C(=O)CN2C(=O)N[C@@](C)(c3ccc(F)cc3)C2=O)cc1 16455746 BZBOUZGCOYDIOP-QFIPXVFZSA-N 411.433 3.214 0 40 HGAB COC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)CN1C[C@H](C)O[C@@H](C)C1 17091465 HKAOJYVQOOYVOC-KBPBESRZSA-N 418.515 3.258 0 40 HGAB COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)c1cncc(Br)c1 17975226 XJOQOWWQCDVFKS-UHFFFAOYSA-N 412.671 3.217 0 40 HGAB CCNc1nnc(SCC(=O)N2CCN(Cc3ccc(Cl)s3)CC2)s1 18663496 SKYPTMUIRDKYOW-UHFFFAOYSA-N 418.013 3.121 0 40 HGAB Cc1cnc(C(=O)N2CCC(c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](C)N4)CC2)cn1 19238842 JNDAHHKXPIVEGU-BDJLRTHQSA-N 408.428 3.309 0 40 HGAB O=C([C@H]1CC(=O)N(C2CC2)C1)N1CCC(c2cc3nc(C(F)(F)F)ccc3[nH]2)CC1 19341734 PMHAGVVADWJNSQ-ZDUSSCGKSA-N 420.435 3.299 0 40 HGAB CCc1cc(C(F)(F)F)n2nc([C@@H]3CCCN3C(=O)c3cnn(C)c3C)cc2n1 19522319 KNXHIYXYGFNYCA-HNNXBMFYSA-N 406.412 3.330 0 40 HGAB CCOc1ncccc1C(=O)N1CCC[C@@H]1c1nc(N(C)C)ncc1-c1ccncc1 19531429 QUYHHEXIWDSGBB-LJQANCHMSA-N 418.501 3.376 0 40 HGAB COc1cccc([C@@H]2CN(C(=O)Cc3ccccc3F)C[C@]23CCCCC(=O)N3)c1 19566110 CNYILTHKVYMEOD-GBXCKJPGSA-N 410.489 3.432 0 40 HGAB Cc1nc(=O)n(CC(=O)N2CCC(COc3ccc(Cl)cc3)CC2)c(C)c1C 19663974 UVOYXOLIYIXANO-UHFFFAOYSA-N 403.910 3.140 0 40 HGAB Cc1n[nH]cc1C(=O)N1CCC[C@@H](c2nc(N(C)C)ncc2-c2cccc(F)c2)C1 19695044 JANCETXKFVOPBJ-MRXNPFEDSA-N 408.481 3.400 0 40 HGAB Cc1ccc(NC(=O)COc2ccc(Cl)cc2S(=O)(=O)N2CCCC2)cc1 19935245 XDZNFNKZIKFYMW-UHFFFAOYSA-N 408.907 3.450 0 40 HGAB CSc1ccc([C@@H](C)NC(=O)COc2ccc(S(=O)(=O)NC(C)C)cc2)cc1 20018876 CFLKEHBBUAWEFQ-OAHLLOKOSA-N 422.572 3.351 0 40 HGAB COc1ccccc1CNC(=O)CN1c2ccc(C)cc2-c2ccccc2S1(=O)=O 20063065 TVGHLRNFBFYZGC-UHFFFAOYSA-N 422.506 3.496 0 40 HGAB Cc1cc(Cl)ccc1NC(=O)[C@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1 20110329 ZTKZBBWOXQXPJQ-MRXNPFEDSA-N 415.298 3.468 0 40 HGAB CCN(c1ccccc1)S(=O)(=O)c1nnc(NC(=O)c2ccc(OC)cc2)s1 20486629 UWHLYMVQILKAMI-UHFFFAOYSA-N 418.500 3.014 0 40 HGAB COc1ccc(S(=O)(=O)NCc2ccc(OC(C)C)cc2)cc1C(=O)NC(C)C 20494058 WLTRRCHZQNCWSH-UHFFFAOYSA-N 420.531 3.099 0 40 HGAB Cc1cccc(-n2nnnc2SCC(=O)Nc2cc(C)nn2-c2ccccc2)c1 21228748 DDZTVKNHLXGETM-UHFFFAOYSA-N 405.487 3.196 0 40 HGAB Cc1ccc(C(=O)CCC(=O)OCC(=O)N[C@H](c2ccccc2)c2nccn2C)cc1 22201731 UJBYREHFJJSZSS-HSZRJFAPSA-N 419.481 3.140 0 40 HGAB CCS(=O)(=O)N(C)c1cc(OC)c(OC)cc1C(=O)Nc1ccc(C)c(C)c1 22252627 HIEDKINCUIQZDX-UHFFFAOYSA-N 406.504 3.359 0 40 HGAB O=C(Cn1nc(C2CC2)c2cnn(-c3ccccc3)c2c1=O)N1CCc2ccccc21 22767858 ZYAHRUPMFVHKHJ-UHFFFAOYSA-N 411.465 3.049 0 40 HGAB Cc1ccc(CS(=O)(=O)N2CCC(C(=O)Nc3ccc(F)c(F)c3)CC2)cc1 24608939 OBPSSEVIXCYLPK-UHFFFAOYSA-N 408.470 3.454 0 40 HGAB COc1ccc(CSc2nnc(Nc3ccccc3Cl)c(=O)n2N)cc1OC 28536015 RVVWQUIBHDGCSJ-UHFFFAOYSA-N 419.894 3.059 0 40 HGAB NC(=O)c1cccc(CSc2nc3ccccc3c(=O)n2Cc2cccnc2)c1 29030140 HWGOHZUIVMQDDE-UHFFFAOYSA-N 402.479 3.231 0 40 HGAB COc1cc(/C=C/C(=O)N2CCN(Cc3csc(C)n3)CC2)cc(Cl)c1OC 32332861 WLAMTOUPIHKLSN-SNAWJCMRSA-N 421.950 3.480 0 40 HGAB C[C@H](Sc1ccc(C(=O)N2CCCC2)cn1)C(=O)N1CCN(c2ccccc2)CC1 32907210 PGRJKAKTPJTDRE-SFHVURJKSA-N 424.570 3.147 0 40 HGAB CCOC(=O)CN1CCc2cc(OC)c(OC)cc2[C@H]1c1ccc(Cl)cc1N 35185335 WWBRSOGSBJJWNU-OAQYLSRUSA-N 404.894 3.450 0 40 HGAB CCOC(=O)c1ccc(C(=O)Cn2nc(N)n(Nc3cccc(C)c3)c2=S)cc1 36625704 FTMZZTGSQIUXDC-UHFFFAOYSA-N 411.487 3.240 0 40 HGAB Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)NCc3nnc4ccccn34)c12 40143909 UTOPMJPAPBNIMS-UHFFFAOYSA-N 403.490 3.345 0 40 HGAB C[C@H](Oc1ccc(C(=O)NCCS(=O)(=O)c2ccccc2)cn1)c1ccccc1 40154851 MHDRCSCFOLJODU-KRWDZBQOSA-N 410.495 3.425 0 40 HGAB O=C(NC[C@H]([C@H]1CCOC1)N1CCOCC1)Nc1ccc(Cl)c(C(F)(F)F)c1 48287095 XUHRLTPEVOGWRX-BLLLJJGKSA-N 421.847 3.218 0 40 HGAB O=S(=O)(NC1CCN(Cc2ccc(F)c(F)c2)CC1)c1ccc2c(c1)CCC2 55649760 MWXFAPZYVKOUHJ-UHFFFAOYSA-N 406.498 3.396 0 40 HGAB Cc1ccc(Cn2nc3n(Cc4cccs4)c(=O)c4sccc4n3c2=O)cc1 64946490 HTZOKEGDKAFVMT-UHFFFAOYSA-N 408.508 3.339 0 40 HGAB CCCc1nc2c3cc(OC)c(OC)cc3n(CC(=O)c3ccc(F)cc3)c(=O)n2n1 65534809 NFEJVJBECUBYDY-UHFFFAOYSA-N 424.432 3.036 0 40 HGAB CN(C[C@@H](O)COc1ccc(C(F)(F)F)cc1)C(=O)[C@H]1CCOc2ccccc21 72310401 SUAMSCJAPPSFHR-QAPCUYQASA-N 409.404 3.470 0 40 HGAB CN1CCC(C(=O)N2CCC[C@H](c3nc(N)ncc3-c3ccc(Cl)cc3)C2)CC1 72346256 QGIRHCUPKPDXSA-KRWDZBQOSA-N 413.953 3.427 0 40 HGAB CN1CC[C@@H](c2c(C(=O)NC3CCN(C(=O)C4CC4)CC3)sc3ccccc23)C1 72352563 BOMXRRLDJZLMOJ-MRXNPFEDSA-N 411.571 3.451 0 40 HGAB CNc1nc([C@H]2CCCN2C(=O)C2(c3cccc(F)c3)CCCC2)nc2c1CNCC2 72372367 QPBCFJVEHXUSGI-HXUWFJFHSA-N 423.536 3.479 0 40 HGAB COc1cccc(-n2cnc3c2[C@@H](c2cc(OC)c(OC)c(OC)c2)CC(=O)N3)c1 78546706 MHCNMEBQIRFJFL-MRXNPFEDSA-N 409.442 3.381 0 40 HGAB CCCCn1c(COC(=O)C[C@@H](CC)SC)nc2cc(S(N)(=O)=O)ccc21 89955492 WBXGZUVKLXNEAZ-CYBMUJFWSA-N 413.565 3.059 0 40 HGAB Cn1c(CN2CCSCC2)cc(=O)c(O)c1CN1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 95479252 PCEHZJKJJZXXTI-JTSKRJEESA-N 405.608 3.040 0 40 HGAB Cc1noc2ncc(C(=O)N3CCCCC[C@H]3c3noc(-c4cnn(C)c4)n3)cc12 96001916 FBIFUIUQTMYVDO-INIZCTEOSA-N 407.434 3.072 0 40 HGAB Cn1c(=O)sc2cc(S(=O)(=O)N3CCC(Cc4ccccc4)CC3)ccc21 96321908 TUSHQEZIOPZROI-UHFFFAOYSA-N 402.541 3.243 0 40 HGAB O=C(Nc1ccc2c(c1)OCCCO2)[C@@H]1CSCN1C(=O)/C=C/c1ccccc1 97124353 PEXGJJIVAYGRPX-HKMNZKMDSA-N 410.495 3.401 0 40 HGAB CCOc1ccc(N2C(=O)[C@@H]3[C@@H](c4ccc(Cl)cc4)N4CCCN4[C@H]3C2=O)cc1 102680436 FKESPDMCVYWJEE-VAMGGRTRSA-N 411.889 3.274 0 40 HGAB O=C(CSC(=S)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2)c1ccc(F)cc1 113481938 IFCJACWAGYCTHQ-ZFWWWQNUSA-N 402.516 3.308 0 40 HGAB CC(C)Oc1cccc(CNC(=O)[C@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)c1 113940552 GGSHZRVRRITJOU-HNNXBMFYSA-N 408.495 3.084 0 40 HGAB C[C@@H](NC(=O)CN(c1ccc(C(F)(F)F)cc1)S(C)(=O)=O)c1ccc(F)cc1 220050374 MAFOXKPBVXQVOK-GFCCVEGCSA-N 418.412 3.488 0 40 HGAB CC[C@H](C(=O)NCCSc1ccccc1)N(c1cccc(C)c1)S(C)(=O)=O 220499918 UCOMAUJNHTWCGD-LJQANCHMSA-N 406.573 3.448 0 40 HGAB COc1cc(C)c(S(=O)(=O)NCc2nc(-c3ccccc3Cl)no2)cc1C 223279153 OXWIKAZTMNEELK-UHFFFAOYSA-N 407.879 3.494 0 40 HGAB CC(C)(C)CC(C)(C)NC(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O 224115516 MLUYZGKKSZSEHW-UHFFFAOYSA-N 412.552 3.293 0 40 HGAB COc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)NCCCOC(C)C)c2)cc1 224283085 JMQAAJJGVQORHP-UHFFFAOYSA-N 420.531 3.065 0 40 HGAB CC[C@H](C(=O)NCCOc1ccccc1Cl)N(c1ccccc1)S(C)(=O)=O 224297294 QVKKENLROFFRER-QGZVFWFLSA-N 410.923 3.080 0 40 HGAB CCn1c(=O)sc2cc(S(=O)(=O)NCCCc3ccc(OC)cc3)ccc21 225696025 VPUDAPBBJCPBHF-UHFFFAOYSA-N 406.529 3.003 0 40 HGAB CC(C)c1ccc(CCCNC(=O)CN(Cc2ccccc2)S(C)(=O)=O)cc1 225781352 WCNMXBKSKYGKFY-UHFFFAOYSA-N 402.560 3.321 0 40 HGAB COc1ccc(NC(=O)[C@@]2(C)CCCN(Cc3ccccc3)S2(=O)=O)c(OC)c1 225952492 DONBTIUEVRVRBC-OAQYLSRUSA-N 418.515 3.027 0 40 HGAB O=C(CN1CCO[C@H](c2ccc(Nc3ccccn3)cn2)C1)N1CCc2ccccc21 257228575 FUJLKGRDDCVNGT-QFIPXVFZSA-N 415.497 3.183 0 40 HGAB COc1cccc2c1OC1(CCN(C(=O)Cn3ccnc3C)CC1)[C@H]1CCCO[C@H]21 257310632 UFXUXFGCZUUGDY-GHTZIAJQSA-N 411.502 3.122 0 40 HGAB CC(C)Cc1cc(C(=O)N2CC[C@H](Oc3cccc(Cl)c3)[C@@H](CC(N)=O)C2)on1 257320445 VWVWOAOLQJJORI-KSSFIOAISA-N 419.909 3.312 0 40 HGAB Cc1cc(C)n(CC(=O)N2CCCC[C@@H]2c2ncc(Cc3ccccc3)o2)c(=O)n1 257326103 WVVFPGQPZVHIRT-HXUWFJFHSA-N 406.486 3.193 0 40 HGAB COc1ccc(S(=O)(=O)NCCCOC(C)C)cc1NC(=O)c1ccccc1C 408561622 UGAGDQZJPPLORE-UHFFFAOYSA-N 420.531 3.349 0 40 HGAB COc1cc(NC(=O)[C@H](C)N(c2ccccc2)S(C)(=O)=O)c(OC)cc1Cl 408606680 LKYJMZSVMPGDPQ-LBPRGKRZSA-N 412.895 3.150 0 40 HGAB COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC(C(=O)NC2CCCC2)CC1 408700734 LCBFNNKKPXNIQZ-UHFFFAOYSA-N 408.564 3.278 0 40 HGAB CC1=C(C(N)=O)[C@@H](c2ccccc2)NC(SCC(=O)Nc2ccc(Cl)cc2)=N1 408990856 OOGYGTOVPSEVCQ-GOSISDBHSA-N 414.918 3.472 0 40 HGAB COc1cc(O)c(Cl)c2c1C(=O)O[C@@H](C)CCC(=O)CC[C@@H](OC)CC(=O)C2 514287840 DEMKQUIZOFIHRZ-SMDDNHRTSA-N 412.866 3.259 0 40 HGAB biogenic,in-vitro CC(C)NC(=O)N1C[C@@H]2Oc3cc(-c4ccc(F)cc4F)ccc3C(=O)N(C)[C@@H]2C1 514289305 HSSLEZYPDQAKMG-QUCCMNQESA-N 415.440 3.267 0 40 HGAB biogenic,in-vitro Cc1cnc(Nc2nccnc2C2CCN(C(=O)/C=C/c3cccnc3)CC2)s1 585293476 XYTFGULYXLDNRA-SNAWJCMRSA-N 406.515 3.800 0 40 HGAB O=C1NCCCCN(C(=O)CCCn2cccn2)CCCOc2ccc(Cl)cc21 643558511 OOAXFPVHZPZLII-UHFFFAOYSA-N 418.925 3.138 0 40 HGAB COc1cccc(CN2CCO[C@@]3(CCCCN(c4ccccc4)C3=O)C2)c1OC 2037983718 DAKXMMBREBTGKU-DEOSSOPVSA-N 410.514 3.492 0 40 HGAB CCn1cc(CN2CCC[C@@]3(CC2)CN(c2cccc(F)c2)C(=O)CO3)c(C)n1 2037989181 YOYGWOHHYCBEAG-JOCHJYFZSA-N 400.498 3.139 0 40 HGAB C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)c3ccccc3Cl)cc2)C[C@H](C)O1 645285 HANMWCZIRLMFBO-KBPBESRZSA-N 408.907 3.390 0 40 HGAB CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCC3=CCCCC3)C2)cc1 809632 IPMHGQAUKRTQRG-IBGZPJMESA-N 420.575 3.493 0 40 HGAB CCOc1ccc(OCC)c(NC(=O)CSc2nc3ccccc3c(=O)n2C)c1 880752 KOQGCDAZCORTDZ-UHFFFAOYSA-N 413.499 3.462 0 40 HGAB Cc1ccc([S@](=O)OCC(=O)Nc2cc(Cl)ccc2N2CCOCC2)cc1 1404165 NHWFAQWYZKABND-MHZLTWQESA-N 408.907 3.163 0 40 HGAB CC[C@H](C)[C@H](NC(=O)[C@@H](C)Oc1ccc2c3c(c(=O)oc2c1C)CCCC3)C(=O)O 2104382 RTFQGEOOLBPWHU-CFZJUORYSA-N 415.486 3.363 0 40 HGAB biogenic Cc1c(OCC(=O)NCCCCCC(=O)O)ccc2c3c(c(=O)oc12)CCCC3 2136991 LDGUFQFNOXIMIF-UHFFFAOYSA-N 401.459 3.120 0 40 HGAB biogenic COc1cccc(C(=O)NC(=S)Nc2ccccc2-c2nn3c(C)nnc3s2)c1 2437379 NCPJIOIYXFJJJD-UHFFFAOYSA-N 424.511 3.297 0 40 HGAB O=C(O)CCCCCNC(=O)CSc1nnc(-c2ccco2)n1-c1ccccc1 3277425 QTXOVPIDCPMJKK-UHFFFAOYSA-N 414.487 3.381 0 40 HGAB CC(C)NC(=O)COC(=O)c1ccc(N2C(=O)c3cccc4cccc(c34)C2=O)cc1 3294475 BKCMAGMTAZKLEC-UHFFFAOYSA-N 416.433 3.322 0 40 HGAB C[C@]1(c2ccccc2Br)NC(=O)N(CC(=O)c2ccc(F)cc2)C1=O 3563457 IDLRDCLFLQHYPI-GOSISDBHSA-N 405.223 3.238 0 40 HGAB COc1ccc([C@H]2CN3C(=O)CN(C4CC4)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)cc1 4083648 QRNKNSHIVHXWFE-CLOONOSVSA-N 415.493 3.370 0 40 HGAB biogenic CCc1nnc(NC(=O)CSc2nc3sc(C)c(C)c3c(=O)n2CC)s1 4130281 FFJBBUYURKEHAE-UHFFFAOYSA-N 409.562 3.239 0 40 HGAB CCOc1cccc(N2C(=O)C[C@H](N3CCC(c4nc5ccccc5[nH]4)CC3)C2=O)c1 4624939 VAVHKTJJNXADOB-NRFANRHFSA-N 418.497 3.473 0 40 HGAB Cc1ccc(NC(=O)Cc2nnc(SCC(=O)NC3CCCCC3)n2C)cc1C 4814668 WSHJLACVAAHOPU-UHFFFAOYSA-N 415.563 3.154 0 40 HGAB CCn1c(COc2c(C)cccc2C)nnc1SCC(=O)Nc1nncs1 4816344 FPCQORNGXQFTGY-UHFFFAOYSA-N 404.521 3.076 0 40 HGAB CCOc1cccc(-c2nnc(SCC(=O)Nc3ccc(C)c(F)c3)n2N)c1 5047408 KCIHBEDOAASQDG-UHFFFAOYSA-N 401.467 3.236 0 40 HGAB Cc1ccc(NC(=O)CN2C(=O)N[C@](C)(c3cc(F)ccc3F)C2=O)cc1Cl 5218652 FKWBZSBDCOSXSG-LJQANCHMSA-N 407.804 3.332 0 40 HGAB O=C1c2ccccc2C(=O)N1CCc1nn2c(-c3ccc(Cl)cc3)nnc2s1 5348928 VKJRSRCBRHDCMW-UHFFFAOYSA-N 409.858 3.345 0 40 HGAB NC(=O)C1(N2CCCCC2)CCN(C(=S)Nc2ccc(C(F)(F)F)cc2)CC1 5352874 MYBGCKAYQOXONK-UHFFFAOYSA-N 414.497 3.208 0 40 HGAB CCOc1cc2c(ccc1=O)-c1c(cc(OC)c(OC)c1OC)CC[C@H]2NC(C)=O 5731918 UYBLADDTAKYHBN-QGZVFWFLSA-N 413.470 3.262 0 40 HGAB Cc1ccc(CN(C(=O)COc2ccc(C(C)(C)C)cc2)[C@H]2CCS(=O)(=O)C2)o1 6810345 ORQNZLDADCZBFD-SFHVURJKSA-N 419.543 3.480 0 40 HGAB CCOc1ccccc1OCCCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1C 6840040 DQVNCSWHHSOAMO-UHFFFAOYSA-N 420.531 3.442 0 40 HGAB CCN(CC)C(=O)c1ccc(NC(=O)COC(=O)COc2cc(C)cc(C)c2)cc1 7794447 TWXMZKOFISQRJZ-UHFFFAOYSA-N 412.486 3.346 0 40 HGAB COc1cccc([C@H](CNC(=O)C2CCN(C(=O)Nc3ccccc3)CC2)N(C)C)c1 7980412 KKLJYELSLDNJBV-QFIPXVFZSA-N 424.545 3.358 0 40 HGAB C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3C[C@H](O)[C@@]21C 8214946 BHQCQFFYRZLCQQ-AVMWODPGSA-N 408.579 3.449 0 40 HGAB COC(=O)c1ccc(NC(=O)Cc2c(C)c3ccc(OC)c(OC)c3oc2=O)cc1 8490982 NSYIVNZTKSRAOX-UHFFFAOYSA-N 411.410 3.086 0 40 HGAB biogenic COCCN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@@H]1c1ccc(OC)c(OC)c1 8869538 VGOLZBYZPZOQFJ-FQEVSTJZSA-N 409.438 3.310 0 40 HGAB CCCCN1C(=O)[C@H]([C@@H]2c3ccccc3C(=O)N2Cc2ccccc2)C(=O)N=C1S 8914108 BYYAVTYYLLWXRL-MOPGFXCFSA-N 421.522 3.455 0 40 HGAB CCOc1ccc(CCNc2nccn(-c3ccc4c(c3)OCO4)c2=O)cc1OCC 9320340 POJFUOFAIWUENF-UHFFFAOYSA-N 423.469 3.413 0 40 HGAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCCN3CCCC3)cc2C)cc1 10112496 ISGPTMDXVBRECC-UHFFFAOYSA-N 415.559 3.320 0 40 HGAB COc1cccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CCCN(C)C)c1 11614406 HAQQFEPKFLSCPR-HXUWFJFHSA-N 410.445 3.438 0 40 HGAB Cc1cc2nc(C3CCN(C[C@H](C)Cc4ccc5c(c4)OCO5)CC3)cc(N)n2n1 12121551 ASQKEZSKTSASJV-OAHLLOKOSA-N 407.518 3.407 0 40 HGAB Cc1nc(-n2nc(C3CC3)cc2NC(=O)CSCc2ccccc2)[nH]c(=O)c1C 12127179 FQTROIBKQDVBRC-UHFFFAOYSA-N 409.515 3.322 0 40 HGAB CCOc1ccccc1NC(=S)NC(=O)CCC(=O)OCCc1ccccc1 12137255 VOMGHGUNEWXONX-UHFFFAOYSA-N 400.500 3.464 0 40 HGAB O=C(CN1CCC2(CC1)NC(=O)c1ccccc1O2)Nc1cccc2ccccc12 12183437 QACJVSDUYWBYNV-UHFFFAOYSA-N 401.466 3.393 0 40 HGAB Cc1cc(S(=O)(=O)Nc2ccc(C(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)ccc1F 12521338 VQIWMQZGQCFWCH-GJZGRUSLSA-N 406.479 3.184 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(CNC(=O)C2C3CC4CC(C3)CC2C4)cc1 12811691 XYNXYSUTCJWAEG-UHFFFAOYSA-N 404.576 3.406 0 40 HGAB Cc1cc(Br)ccc1NC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 12998169 YGIHVFHIEWBWHJ-UHFFFAOYSA-N 409.305 3.451 0 40 HGAB Cc1ccc(S(=O)(=O)N(CC(=O)NCCCOC(C)C)Cc2ccccc2)cc1 14135416 SJFGUWUTKPMVPF-UHFFFAOYSA-N 418.559 3.117 0 40 HGAB O=C(c1ccc(-c2ccc(F)cc2)o1)N1CCN(S(=O)(=O)c2cccs2)CC1 14198457 DBISXSYJNRGXIF-UHFFFAOYSA-N 420.487 3.294 0 40 HGAB CCCCn1c(N)c(N(CC(C)C)C(=O)c2cc(C)c(CC)s2)c(=O)[nH]c1=O 14201928 KPUMPGRBMRPSOB-UHFFFAOYSA-N 406.552 3.154 0 40 HGAB CCc1nn2c(C)c(C(=O)N3CCCCC3)nnc2c1-c1ccc(OC)c(OC)c1 14607703 FFLURKPKDFPMBC-UHFFFAOYSA-N 409.490 3.305 0 40 HGAB COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(Cl)cc2)cc1Cl 16188228 CJDPDDJQADGGIU-UHFFFAOYSA-N 403.287 3.261 0 40 HGAB COc1ccc(OC)c(NC(=S)NC(=O)c2c(F)c(F)c(OC)c(F)c2F)c1 16215365 BZBDCNOVKZBONN-UHFFFAOYSA-N 418.368 3.396 0 40 HGAB CCc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(C(C)=O)CC3)cc2)cc1 17088586 BRHIGWYMPNUITH-UHFFFAOYSA-N 410.543 3.044 0 40 HGAB CCn1c(CC(=O)Nc2ccccc2)nnc1SCc1nc2ccccc2c(=O)[nH]1 18219721 MMRBHNLBOCFJFG-UHFFFAOYSA-N 420.498 3.008 0 40 HGAB Cc1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H]([C@@H]1CCCN(C(=O)COc3cccnc3)C1)N2 19127964 GBNVYANUKTXOCL-HYVNUMGLSA-N 423.439 3.192 0 40 HGAB Cc1ccc([C@H](CNC(=O)Cn2c(C)nc3sc(C)c(C)c3c2=O)N(C)C)cc1 19136464 VHILXDWNACVAAY-SFHVURJKSA-N 412.559 3.111 0 40 HGAB Cc1cnc(-c2nnc([C@@H]3CCN(C(=O)CCc4cn(C)c5ccccc45)C3)o2)cn1 19239153 AIRJGINPRLLGJE-QGZVFWFLSA-N 416.485 3.275 0 40 HGAB CN1CCCC[C@@H]1CC(=O)NCCn1ncc(-c2cnccn2)c1-c1cccs1 19588867 NWLKHWWXTZAKQC-MRXNPFEDSA-N 410.547 3.059 0 40 HGAB CNC(=O)[C@@]1(Cc2ccc(-c3cccs3)cc2)CCCN(C(=O)[C@H]2CCCO2)C1 19591054 WBVIVWCDJPRGML-AUSIDOKSSA-N 412.555 3.491 0 40 HGAB CN(C)[C@H](CNC(=O)CN1C(=O)COc2c(Cl)cccc21)c1cccc(Cl)c1 19655471 UIIMMWBKTRHWLY-QGZVFWFLSA-N 422.312 3.138 0 40 HGAB Cc1nc([C@@H]2CCCCN2C(=O)COc2ccccc2)nc2c1CC(=O)N2CC1CC1 19740252 VBFICANLOYDCRI-FQEVSTJZSA-N 420.513 3.217 0 40 HGAB CCN(CC)C(=O)CN1CCCC[C@@H]1c1nc(C)ncc1C(=O)NC1CCCCC1 19766915 LDKPVGQOEKFQGS-HXUWFJFHSA-N 415.582 3.243 0 40 HGAB CCOc1ccccc1N(CC(=O)N[C@@H](CC)c1ccc(C)cc1)S(C)(=O)=O 20043549 DSKRGKLEGMUZPY-SFHVURJKSA-N 404.532 3.427 0 40 HGAB Cc1csc(=O)n1CC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 21004294 GZBKGENOPYQVBK-UHFFFAOYSA-N 407.539 3.152 0 40 HGAB CCOC(=O)N1CCC(C(=O)Nc2nc(CN3C[C@@H](C)C[C@H](C)C3)cs2)CC1 22293462 PIBGNJNPMFXVMC-GJZGRUSLSA-N 408.568 3.428 0 40 HGAB Cc1cc(C)c2nc(N(CCCN3CCOCC3)C(=O)c3ccn(C)n3)sc2c1 23128157 KSDMSLXQTKSYRV-UHFFFAOYSA-N 413.547 3.016 0 40 HGAB O=C(CSc1nnc(-c2cc(Cl)sc2Cl)c(O)n1)NCC(F)(F)F 32778463 BTFZVTJJLYEIGB-UHFFFAOYSA-N 419.237 3.383 0 40 HGAB CCCOc1ccc2ccccc2c1CN(C)S(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 32895690 MZENNGFANOQIJQ-IRXDYDNUSA-N 406.548 3.414 0 40 HGAB CCc1nc(C)c2c(C)c(C(=O)N3C[C@H](C(=O)N(C)C)Oc4ccccc43)sc2n1 32903169 PNQIAYOUXUJKNQ-MRXNPFEDSA-N 424.526 3.367 0 40 HGAB COc1cccc(CNC(=O)c2nsc(C(=O)NC[C@@H](C)c3ccccc3)c2N)c1 33171927 USNNWCXZSUIKSI-CQSZACIVSA-N 424.526 3.197 0 40 HGAB O=C(CN(C(=O)c1csnn1)c1cnc2ccccc2c1)NCc1ccc(F)cc1 35289222 VEXDVLZIVYLXHG-UHFFFAOYSA-N 421.457 3.189 0 40 HGAB Cc1nc2c(-c3ccccc3)nc(SCC(=O)NC[C@@H]3CCCO3)nc2s1 35682630 NXUXJDKBSFKGLT-AWEZNQCLSA-N 400.529 3.449 0 40 HGAB CC(C)C(=O)NCCNC(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1 36656265 OQLALTGWJKZKCO-LJQANCHMSA-N 415.921 3.090 0 40 HGAB O=C(CN1C(=O)N[C@@]2(CCCCc3ccccc32)C1=O)NC12CC3CC(CC(C3)C1)C2 39964254 CGYGYQWLWSOANC-UIPSMAFQSA-N 421.541 3.245 0 40 HGAB Cc1nn(-c2ccccc2)c(C)c1CNC(=O)NC[C@@H](CC(C)C)N1CCOCC1 40071911 FKNCRAACTWPGAM-OAQYLSRUSA-N 413.566 3.035 0 40 HGAB O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)N1CCN(C(=O)[C@H]2CCCO2)CC1 40104360 XREPCYKIFBGESJ-HXUWFJFHSA-N 420.469 3.350 0 40 HGAB CC[C@@H](NC(=O)[C@H]1CN(S(C)(=O)=O)c2cc(C)ccc2O1)c1ccc(C)cc1C 44856736 ZJTWPAJASUWTOU-WIYYLYMNSA-N 416.543 3.406 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)c1ccccc1SC 44899674 LQBSSUNZQZBDQO-UHFFFAOYSA-N 406.529 3.454 0 40 HGAB CCOC(=O)c1nc(CN2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)cs1 48237379 IHMZXXRXCCQARD-UHFFFAOYSA-N 416.499 3.186 0 40 HGAB COc1ccc(NC(=O)N2CCC[C@@H](N3CCCC3)C2)cc1N1CCCCC1=O 48333386 WSBPGZDZTPOYPO-GOSISDBHSA-N 400.523 3.304 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCSC3CCCC3)C2)cc1 64863765 YAAKKAGDWNUHFF-KRWDZBQOSA-N 410.605 3.188 0 40 HGAB Cc1nn([C@H]2CCS(=O)(=O)C2)c2c1[C@@H](c1ccc(OC(C)C)cc1)CC(O)=N2 71282800 CSXLVEPSRQOPCF-DOTOQJQBSA-N 403.504 3.462 0 40 HGAB COC(=O)c1ccc2c(=O)n(N)c(SCc3cccc(C(F)(F)F)c3)nc2c1 71327529 XVVUOUKHGZDVFL-UHFFFAOYSA-N 409.389 3.208 0 40 HGAB COc1ccc2c(c1)OC1(CCN(C(=O)Cc3ccccc3Cl)CC1)CNC2=O 72393328 FALGSEISQDMLEW-UHFFFAOYSA-N 414.889 3.075 0 40 HGAB Cc1sc2ccc(Cl)cc2c1S(=O)(=O)N1Cc2ccccc2C[C@H]1C(N)=O 79060349 HTQMXIUBKLXLIU-INIZCTEOSA-N 420.943 3.464 0 40 HGAB Cc1oc(-c2cccs2)nc1C(=O)N1C[C@H]2[C@@H](C1)OCCN2Cc1ccccc1 84052875 IXKFTJXLSYBEFJ-ZWKOTPCHSA-N 409.511 3.437 0 40 HGAB C[C@H]1CCc2c(sc(NC(=O)CSc3ncc4ccccn34)c2C(N)=O)C1 89930117 DQFWGGVZPOGYQL-NSHDSACASA-N 400.529 3.350 0 40 HGAB NC(=O)[C@H]1CCN(C(=O)c2csc(COc3ccc(F)cc3)n2)c2ccccc21 95444180 GQYKTVWXXMYLJU-INIZCTEOSA-N 411.458 3.481 0 40 HGAB CCCCn1nc(C(=O)NC[C@H](O)c2ccc(Cl)c(F)c2)c2ccccc2c1=O 95448136 XTRQMLPBSJGDMQ-SFHVURJKSA-N 417.868 3.453 0 40 HGAB CCN(C(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)c1nnc(-c2ccc(C)cc2)s1 100116457 IUVXLUDLWXIDAI-HZPDHXFCSA-N 412.515 3.042 0 40 HGAB CC[C@@H](Oc1cccc(OC)c1)C(=O)N1[C@@H]2CC[C@@H]1c1cnc3cc(C)nn3c1C2 100142979 XWQXYHPONSFDKI-QFIXIFRTSA-N 406.486 3.492 0 40 HGAB CC(C)[C@H](C(=O)OCC(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 101145932 QVYDPTHOKUMAHH-CJBAZIHXSA-N 417.889 3.122 0 40 HGAB CC(C)Oc1ccc(CNC(=O)[C@@H](C)N(c2ccccc2F)S(C)(=O)=O)cc1 113957152 NHMPNTNQBLYVFT-OAHLLOKOSA-N 408.495 3.084 0 40 HGAB COc1ccc([C@H](C)NC(=O)[C@@H](C)N(c2cc(C)ccc2OC)S(C)(=O)=O)cc1 220346991 TWVSNPGFGLVWDY-JKSUJKDBSA-N 420.531 3.044 0 40 HGAB C[C@H](NC(=O)CN(c1ccc(F)cc1)S(C)(=O)=O)c1ccc2c(c1)CCCC2 222919799 ZMGYFTVXERKDAJ-HNNXBMFYSA-N 404.507 3.348 0 40 HGAB CC(=O)Nc1cccc(NC(=O)CCCN(c2cccc(C)c2C)S(C)(=O)=O)c1 223273775 JXFRCYGVIFJUIK-UHFFFAOYSA-N 417.531 3.447 0 40 HGAB Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)N[C@@H](C)c2ccc(F)cc2)s1 223442454 IJWCUMYURXVXSZ-LBPRGKRZSA-N 420.491 3.277 0 40 HGAB CCOc1ccc(CN(C)S(=O)(=O)c2ccc(OC)c(N3CCCC3=O)c2)cc1 223888723 JBINTYCCIJNPIW-UHFFFAOYSA-N 418.515 3.041 0 40 HGAB COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)Nc1cccc(Cl)c1C 225198815 KLKGFDDWHINYID-UHFFFAOYSA-N 410.923 3.479 0 40 HGAB CCOC(=O)c1ccc(NC(=O)[C@H](c2ccccc2)N(C)S(C)(=O)=O)cc1Cl 225744124 KDKCTXDMCZECSA-KRWDZBQOSA-N 424.906 3.088 0 40 HGAB CC(=O)Nc1nnc(S(=O)(=O)N[C@@H](c2ccccc2)c2ccc(C)cc2C)s1 225796187 NEPCKPDSCGFOBM-KRWDZBQOSA-N 416.528 3.181 0 40 HGAB COc1ccc(NC(=O)[C@]2(C)CCCN(Cc3ccccc3)S2(=O)=O)c(OC)c1 225952510 DONBTIUEVRVRBC-NRFANRHFSA-N 418.515 3.027 0 40 HGAB COc1ccc(N([C@H](C)C(=O)N[C@H](C)c2ccc(C)cc2)S(C)(=O)=O)cc1OC 260591877 MQKNFRIFMGHFPX-HZPDHXFCSA-N 420.531 3.044 0 40 HGAB COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H](C(=O)N(C)c2ccccc2)C1 260733882 FNJCMHYMYUPXDH-HNNXBMFYSA-N 422.934 3.412 0 40 HGAB COc1cccc(-c2ccc3nc([C@H]4CCCN(C(=O)c5ccnn5C)C4)nn3c2)c1 306127608 GDJMSHNNLWNEAM-SFHVURJKSA-N 416.485 3.158 0 40 HGAB CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)cc1 408601759 HDKQJJNYEXPFPZ-LLVKDONJSA-N 402.394 3.020 0 40 HGAB C[C@H](CNC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccccc1)c1ccccc1 408708724 LOFHTUZEPVGXPL-GOSISDBHSA-N 415.493 3.475 0 40 HGAB COc1ccccc1CNC(=O)c1ccccc1NC(=O)C(=O)N[C@H]1CCCC[C@H]1C 408710192 RQXDWEALRZYJNJ-APWZRJJASA-N 423.513 3.259 0 40 HGAB CCOc1cc(Br)cc(/C=C2/SC(=O)N(CCOC)C2=O)c1O 409127703 QZEYCUMQXGCQIZ-KPKJPENVSA-N 402.266 3.236 0 40 HGAB CC1=NN(C(=O)COc2ccc(F)cc2)[C@](O)(c2ccc(Br)cc2)C1 409361907 RGQAKSYHALIRBY-GOSISDBHSA-N 407.239 3.421 0 40 HGAB CCN(CC)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1cc(C)ccc1OC 409387283 ALACJZBQVLSXSF-UHFFFAOYSA-N 404.532 3.376 0 40 HGAB COc1cc(/C=C\C(N)=O)cc(I)c1OC(=O)c1ccccc1 409416183 RUMLHTFWEPLJBF-FPLPWBNLSA-N 423.206 3.018 0 40 HGAB COc1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1 778743 IOBHICQQNUWMKJ-UHFFFAOYSA-N 418.515 3.133 0 40 HGAB Cc1ccc(OCC(=O)N2CCN(C(=O)COc3ccc(C)cc3C)CC2)c(C)c1 958706 NEMVWUAOLZGKRI-UHFFFAOYSA-N 410.514 3.049 0 40 HGAB CS(=O)(=O)c1ccc(-c2nnnn2-c2cccc(C(F)(F)F)c2)c(Cl)c1 1402907 QOAGOOQHADUDOQ-UHFFFAOYSA-N 402.785 3.405 0 40 HGAB CC[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nnc(CSC)o2)cc1 2457024 RAJKRFNBQKIBAR-AWEZNQCLSA-N 424.548 3.138 0 40 HGAB C[C@@]1(c2ccccc2Cl)NC(=O)N(CC(=O)NCc2ccccc2Cl)C1=O 3462733 VHGIPJOQPDGRNC-IBGZPJMESA-N 406.269 3.077 0 40 HGAB Nc1ccc(N2CCOCC2)c(S(=O)(=O)Nc2cc(Cl)ccc2Cl)c1 3885477 DTKQHSUVSPYGCK-UHFFFAOYSA-N 402.303 3.213 0 40 HGAB COc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3ccc4c(c3)OCO4)n2C)cc1 4520259 QZYSXYHIJHKLNE-GFCCVEGCSA-N 412.471 3.339 0 40 HGAB CCOC(=O)c1sc(NC(=O)[C@H]2CC(=O)N(c3ccc(OCC)cc3)C2)nc1C 4943356 RJVLVIGNAXYUSV-ZDUSSCGKSA-N 417.487 3.019 0 40 HGAB COc1ccc(Cc2nnc(SCC(=O)Nc3ccc(C)cc3C)[nH]c2=O)cc1 5154702 ZIYUWXDZMDSGGY-UHFFFAOYSA-N 410.499 3.112 0 40 HGAB COc1cc([C@H]2c3cc4c(cc3O[C@@](C)(OC)[C@H]2C(C)=O)OCO4)cc(OC)c1O 5663580 LZWQTIFDUCCYTH-JAXLGGSGSA-N 416.426 3.230 0 40 HGAB O=C(NCc1ccccn1)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1 6553349 GJVLLAUGTJFZOQ-UHFFFAOYSA-N 401.875 3.466 0 40 HGAB CCc1cccc(NC(=O)Cn2c(=O)n(Cc3ccco3)c(=O)c3sccc32)c1 6678761 IDHHFUGQBXDMGO-UHFFFAOYSA-N 409.467 3.067 0 40 HGAB Cc1ccc(NC(=O)CSc2nc3nccnc3c(=O)n2Cc2ccccc2)cc1 6818537 NXGHKBTZODDNEW-UHFFFAOYSA-N 417.494 3.274 0 40 HGAB COc1cccc(CN(C)C[C@@H](O)COc2ccc(CCC(C)=O)cc2)c1OC 6998539 HNAZGWJIKGDGMF-HXUWFJFHSA-N 401.503 3.097 0 40 HGAB Cc1cc(C(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)c(C)n1Cc1ccco1 7062637 XBQGNBGCVXHWGY-XMMPIXPASA-N 417.465 3.322 0 40 HGAB CNS(=O)(=O)c1cc(NS(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)ccc1C 7423731 XEGIHLDTUUXOAK-UHFFFAOYSA-N 410.561 3.246 0 40 HGAB CNC(=O)[C@H]1CN(C(=O)COc2ccccc2Cc2ccccc2)c2ccccc2O1 7826123 SBHYADGVMLUYOL-HSZRJFAPSA-N 416.477 3.196 0 40 HGAB O=C(c1cc2ccccc2[nH]1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 8250020 UEGGMTPLJCBTPS-UHFFFAOYSA-N 423.538 3.193 0 40 HGAB CCCCCn1c(=O)c(CCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2CCCC 8391764 DBZRVMRXNYOYKR-UHFFFAOYSA-N 410.518 3.022 0 40 HGAB Cc1cccc(Cn2c(NCc3ccc(Cl)cc3)nc3c2c(=O)n(C)c(=O)n3C)c1 8774834 NFKUCUQXPJAWPW-UHFFFAOYSA-N 423.904 3.056 0 40 HGAB COc1ccc([C@@H]2c3c(oc4c(C)cc(C)cc4c3=O)C(=O)N2CCCO)cc1OC 8917326 LACVWLYZXCKHTL-HXUWFJFHSA-N 423.465 3.355 0 40 HGAB C[C@H](OC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)C(=O)NC1CCCC1 9182623 XCBDORNRGXEFIU-GOEBONIOSA-N 406.910 3.183 0 40 HGAB CCn1c(SCC(=O)NC[C@H]2CCCO2)nnc1-c1ccc2c(c1)CCCC2 9193326 CBQZJJNDBKMMEH-GOSISDBHSA-N 400.548 3.231 0 40 HGAB COc1ccccc1CCNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 9670249 GAOZISMYWGXCQE-UHFFFAOYSA-N 424.522 3.146 0 40 HGAB CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc3c(c2)OCCO3)ccc1Cl 9959746 XOADESVOUCCHBJ-UHFFFAOYSA-N 424.906 3.394 0 40 HGAB CCCNS(=O)(=O)c1cc(C(=O)N[C@H](C)c2ccccc2)ccc1N1CCCC1 10009851 YDVVLYBRXSFNGK-QGZVFWFLSA-N 415.559 3.466 0 40 HGAB COc1cc(NC(=O)[C@H](C)NC(=O)c2ccc(Cl)cc2)ccc1N1CCCC1=O 11445926 WGHYNJGYGJMNCE-ZDUSSCGKSA-N 415.877 3.232 0 40 HGAB CCOc1ccc([C@@H]2[C@H](C(=O)Nc3ccccc3OC)[C@@H](C)Nc3ncnn32)cc1 11694808 VWKQDISTZBJYHL-JSNMRZPZSA-N 407.474 3.344 0 40 HGAB COc1ccc(-c2cc3nc([C@H](C)NC(=O)Cc4ccccc4OC)nn3cn2)cc1 12085160 LNIVDEUOSDZONW-HNNXBMFYSA-N 417.469 3.228 0 40 HGAB CC[C@@H](C)N1CCc2nc3sc(C(=O)NC4CCCC4)c(C)c3c(=O)n2CC1 12241848 PCKADDYVHDJNEB-CYBMUJFWSA-N 402.564 3.095 0 40 HGAB COc1ccc(C(=O)CSc2nccn(-c3cccc(F)c3)c2=O)cc1OC 12415271 FGDZUAVXHGIKJD-UHFFFAOYSA-N 400.431 3.364 0 40 HGAB COc1ccccc1N1CCN(c2ccccc2C(=O)NCC(=O)C(C)(C)C)CC1 12646005 QNOQPJPIZBRCNC-UHFFFAOYSA-N 409.530 3.367 0 40 HGAB CCOC(=O)[C@@H]1CSCCN1S(=O)(=O)c1c(C)c(Cl)cc(C)c1Cl 12855083 IQWJFDIFJTZCLB-LBPRGKRZSA-N 412.360 3.279 0 40 HGAB CNS(=O)(=O)Cc1ccccc1CNC(=O)c1ccc(-c2ccccc2)nc1C 12868701 SITAEEVWTRRJKY-UHFFFAOYSA-N 409.511 3.036 0 40 HGAB CCc1cc2c(N3CCN([C@H](C(=O)OC)c4ccc(F)cc4)CC3)ncnc2s1 12884695 VJQRQMPYIJRPEM-SFHVURJKSA-N 414.506 3.429 0 40 HGAB CCOC(=O)c1[nH]c(C)c(C(=O)O[C@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)c1C 12925195 AHKAAGQSXPRUDJ-KWJFTMPMSA-N 416.518 3.439 0 40 HGAB Cc1c(-c2ccccc2)sc(NC(=O)c2cnccn2)c1C(=O)N1CCOCC1 12949008 ZWGXYRVGDXEDJF-UHFFFAOYSA-N 408.483 3.238 0 40 HGAB O=C(Nc1nc(CN2CCCC2)cs1)[C@@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 12975466 SDGLVCBWCXMWKW-QGZVFWFLSA-N 410.543 3.219 0 40 HGAB CCC(=O)Nc1ccc(S(=O)(=O)NCCc2ccc3c(c2)CCCN3C)c(C)c1 13008743 SNLUTLVRBCPTMI-UHFFFAOYSA-N 415.559 3.247 0 40 HGAB CCCCC(=O)N1CCC(c2nc(O)c3nnn(Cc4cc(C)ccc4C)c3n2)CC1 13083117 NGWGLKCYVYHIJL-UHFFFAOYSA-N 422.533 3.488 0 40 HGAB COc1ccc(F)cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccccc2C)C1 13580589 DSNVQFPMFVJSKU-OAHLLOKOSA-N 406.479 3.182 0 40 HGAB CCOc1ccc(CNC(=O)[C@@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)cc1 13672175 OFSIPMBUQQKNKS-CQSZACIVSA-N 410.923 3.210 0 40 HGAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCCN3CCCCC3)c2C)cc1 13679942 UDKRHVUOMJNCHI-UHFFFAOYSA-N 415.559 3.320 0 40 HGAB O=C(COC(=O)/C=C/c1ccc(Cl)cc1)NCC1(N2CCOCC2)CCCCC1 14775956 XNVJYFRZVMNITM-RMKNXTFCSA-N 420.937 3.048 0 40 HGAB O=C1[C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@@H]2C(=O)N1c1ccc2ccccc2c1 16010115 MKPIBSLBSTYPPT-MSZDEVHKSA-N 423.472 3.271 0 40 HGAB O=C(c1ccccc1)[C@H]1[C@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@H]2[C@@H]2C=CC=NN21 16038771 YXRUDXHMUQYGIL-CWBXHPNXSA-N 421.456 3.437 0 40 HGAB COC(=O)c1cc(NC(=O)c2cc(OC)c3ccccc3c2O)cc(C(=O)OC)c1 16194716 ZTXWPKYWTQSCHJ-UHFFFAOYSA-N 409.394 3.380 0 40 HGAB CCOc1ccc(-c2noc(Cn3nc(-c4ccc(OC)cc4)ccc3=O)n2)cc1 16845929 CPHOXKVTTKLPGO-UHFFFAOYSA-N 404.426 3.416 0 40 HGAB COCC(=O)N1CC[C@H](c2cc3nc(-c4cccs4)cc(C(F)(F)F)n3n2)C1 19592723 RDCYZCCHIHBKNF-NSHDSACASA-N 410.421 3.439 0 40 HGAB Cc1noc(CCC(=O)N2CCC[C@H]2c2nc(N(C)C)ncc2-c2cccc(F)c2)n1 19689963 WJAQGXNHSUCLBI-SFHVURJKSA-N 424.480 3.336 0 40 HGAB CCc1cc(CNC(=O)c2ccc([C@H]3CCCN(Cc4ccccn4)C3)nc2)on1 19706002 XQOGOCDQLRGPJE-SFHVURJKSA-N 405.502 3.337 0 40 HGAB Cc1ncsc1C(=O)N1CCC(c2cc(C(F)(F)F)c3c(N)n[nH]c3n2)CC1 19745085 YIEATQPDKZLSCK-UHFFFAOYSA-N 410.425 3.344 0 40 HGAB CCOC(=O)COc1ccc(/C=C2\SC(=O)N(CC(=O)OC(C)(C)C)C2=O)cc1 20289875 HVOUMNMKVBAAEW-GDNBJRDFSA-N 421.471 3.007 0 40 HGAB Cc1ccc([C@@H](C)NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)N(C)C)c(C)c1 20487291 BBVKGTJEJNSSMP-LJQANCHMSA-N 417.575 3.410 0 40 HGAB CC[C@@H](C)[C@H](NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc(Cl)cc1F)C(=O)OC 20721288 SQOPRNAXDWZKHQ-VOZBZGINSA-N 422.888 3.447 0 40 HGAB COCCNc1nnc(S[C@@H](C)C(=O)Nc2ccc(Br)cc2)s1 22219216 XHCOZZUVOFUZEU-VIFPVBQESA-N 417.354 3.478 0 40 HGAB O=c1c(Cl)c(NCc2ccccc2CN2CCOCC2)cnn1-c1ccccc1 23763721 RJHMPJTXPRDUSU-UHFFFAOYSA-N 410.905 3.330 0 40 HGAB O=S(=O)(N[C@H](CN1CCOCC1)c1ccccc1)c1ccc(Cl)c(Cl)c1 24193286 DTLHIYGOCZNWJN-GOSISDBHSA-N 415.342 3.345 0 40 HGAB CCn1c(CSc2nncs2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 24669054 UYORVEGDJVWVJL-UHFFFAOYSA-N 423.589 3.375 0 40 HGAB COc1ccccc1[C@@H](CNC(=O)CNC(=O)c1cccc(Cl)c1)N1CCCC1 27571595 MSUPUOPNHCGEOJ-LJQANCHMSA-N 415.921 3.032 0 40 HGAB CCN(CC)S(=O)(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccccc1 29079534 FLVSIQBUKXVLGH-NRFANRHFSA-N 404.532 3.238 0 40 HGAB O=C(COc1ccc2ccccc2c1Br)NCc1nnc2ccccn12 29760683 YHKOMHSYFKJRHM-UHFFFAOYSA-N 411.259 3.340 0 40 HGAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2c(F)cccc2F)cc1C 30332595 SXWMRSSFLMBJPA-UHFFFAOYSA-N 412.458 3.321 0 40 HGAB C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)c2cc(F)c(Cl)cc2Cl)CC1 31209433 WMQICRNAQAORCN-CYBMUJFWSA-N 416.324 3.291 0 40 HGAB O=C(Cn1c(-c2cscn2)nc2ccccc21)Nc1ccc(-n2cccn2)nc1 32754771 HSPBBAXMPORJNF-UHFFFAOYSA-N 401.455 3.379 0 40 HGAB Cc1nc(COc2cccc(C(=O)N3Cc4ccccc4C[C@@H]3C(N)=O)c2)cs1 32836824 FMZFUXNDKCLZMA-HXUWFJFHSA-N 407.495 3.083 0 40 HGAB O=S(=O)(NC[C@@H](c1ccccc1Cl)c1c[nH]c2ccccc12)N1CCOCC1 32899991 RKUFEBIFUHHQFD-SFHVURJKSA-N 419.934 3.120 0 40 HGAB CC(C)c1ccc(CN2CCN(C(=O)c3cn(Cc4ccccc4)nn3)CC2)cc1 32900264 JGAFPAVIJRTZPX-UHFFFAOYSA-N 403.530 3.408 0 40 HGAB CC[C@H]1CCCCN1C(=O)CS(=O)(=O)Cc1cc(Cl)c2c(c1)OCCCO2 32929827 XIOLCAQWRNYGAX-HNNXBMFYSA-N 415.939 3.207 0 40 HGAB O=C(/C=C/c1ccc2c(c1)OCO2)N1CCN(C(=O)[C@H]2C[C@H]2c2ccc(F)cc2)CC1 38946911 LTXOBPSGGMWUSG-ZEILUTDJSA-N 422.456 3.042 0 40 HGAB CCN(CC(=O)Nc1ccccc1Br)S(=O)(=O)c1ccc(F)cc1 39985568 NKVAZEMUERBNPI-UHFFFAOYSA-N 415.284 3.238 0 40 HGAB Cc1occc1C(=O)Nc1nc(CC(=O)N(C)Cc2ccc3c(c2)OCO3)cs1 40131140 FKSWBFKTGJQDIF-UHFFFAOYSA-N 413.455 3.227 0 40 HGAB CCOC(=O)Cc1csc(NC(=O)COc2ccc(F)cc2Br)n1 40161652 CASHYUVQJYZPCC-UHFFFAOYSA-N 417.256 3.168 0 40 HGAB CC[C@H](C)NC(=O)CN1C(=O)[C@H](C)Oc2ccc(-c3csc(CCOC)n3)cc21 40608618 VKMMTOPIBWYNRA-KBPBESRZSA-N 417.531 3.028 0 40 HGAB Cc1cccc(C)c1NC(=O)COC(=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1 49809602 VYYFOBYNJHJFBB-HNNXBMFYSA-N 400.862 3.492 0 40 HGAB COc1ccc(C(=O)NCCN2CCN(c3nc4c(C)c(C)ccc4s3)CC2)cc1 56952934 ACLZQYKMVJSLRF-UHFFFAOYSA-N 424.570 3.474 0 40 HGAB CCc1nnc2sc(-c3cccc(NC(=O)COc4ccc(OC)cc4)c3)nn12 57316956 WCIVMSNZQFSDMI-UHFFFAOYSA-N 409.471 3.441 0 40 HGAB CCCCCn1nc(C(=O)N(CCC(=O)OCC)CC2CC2)c2ccccc2c1=O 57994354 JVMWVGWWMKCJEH-UHFFFAOYSA-N 413.518 3.392 0 40 HGAB NC(=O)c1c(NC(=O)CNC2(c3ccc(F)cc3)CCC2)sc2c1CCCC2 58209607 QUTJRJHTABOXGS-UHFFFAOYSA-N 401.507 3.472 0 40 HGAB O=C(NCCN1CCCCC1)NC[C@@H]1CCN(c2cccc(Br)c2)C1 58412569 QWPSUPOANKZLBC-INIZCTEOSA-N 409.372 3.061 0 40 HGAB O=C(Nc1cc(-c2n[nH]c(=O)[nH]2)cc(C(F)(F)F)c1)[C@@H]1Cc2cc(Cl)ccc2O1 65591074 CGOHCUBXJAOHGO-AWEZNQCLSA-N 424.766 3.379 0 40 HGAB Cc1c(C(=O)NC2CC2)nnn1-c1cccc2c1CCN(Cc1ccccc1F)C2 69878043 SOFKMLNZSMNVAC-UHFFFAOYSA-N 405.477 3.165 0 40 HGAB C[C@H](C(=O)N1CCCCC1)N1CCN(Cc2c(Cl)ccc3cccnc23)CC1 79065367 DABVJFJETSTHJD-QGZVFWFLSA-N 400.954 3.407 0 40 HGAB COc1ccc(CCNC(=O)CCc2nc3ncc(Br)cc3[nH]2)cc1 79491220 IGVGLUMGNULENH-UHFFFAOYSA-N 403.280 3.021 0 40 HGAB COc1ccc([C@H](c2nnnn2C2CCCC2)N2CCC(C(=N)O)CC2)c(OC)c1 82055962 QQZZDZQSIIKNBJ-LJQANCHMSA-N 414.510 3.142 0 40 HGAB O=C(CCn1nnc2ccccc2c1=O)N1CCCC[C@@H]1c1nc2ccccc2o1 84587472 NZYVFHJAWAQNPU-GOSISDBHSA-N 403.442 3.077 0 40 HGAB O=C(CN1CCC(NC(=O)c2cnoc2-c2ccccc2)CC1)Nc1ccccc1 95451409 JLZFNKDETTXKFH-UHFFFAOYSA-N 404.470 3.175 0 40 HGAB COc1cccc(-c2nsc(NC(=O)N3CCC(c4nc(C)no4)CC3)n2)c1 95466969 SHLMVAKPLLKVBU-UHFFFAOYSA-N 400.464 3.317 0 40 HGAB O=C1N[C@@]2(CCc3ccccc32)C(=O)N1CC(=O)N1CCC[C@@H]1/C=C/c1ccccc1 96002280 XCGFOHSGNXOEDO-SEDYOKSRSA-N 415.493 3.084 0 40 HGAB O=C(NCCc1ccncc1)c1cc(-c2cnc(N3CCCC3)nc2)cn1CC1CC1 96147690 REDLQVRVRBNSJP-UHFFFAOYSA-N 416.529 3.323 0 40 HGAB CO[C@@H]1CCN(C(=O)CCc2cccc(F)c2F)[C@H](CNC(=O)OC(C)(C)C)C1 97081512 KFQGCDMLBNEAOC-JKSUJKDBSA-N 412.477 3.428 0 40 HGAB O=C(CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)Nc1ccc(Br)cc1Cl 103018865 JRGDPSJXMZCTPP-RYUDHWBXSA-N 411.683 3.382 0 40 HGAB COC[C@@]1(C(N)=S)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1cccc(F)c1 217925915 YWMSUMHBLYVBPE-BQFCYCMXSA-N 413.923 3.338 0 40 HGAB CC[C@@H](C(=O)NCCCN(C)c1ccccc1)N(c1ccc(C)cc1)S(C)(=O)=O 219105601 HMLDRRPBAZULQT-NRFANRHFSA-N 417.575 3.182 0 40 HGAB Cc1ccc(OC[C@@H](C)NC(=O)c2ccc(C)c(N3CCCCS3(=O)=O)c2)cc1 222576468 FTWNXBAARRIIBJ-GOSISDBHSA-N 416.543 3.431 0 40 HGAB Cc1cccc(N(CCCC(=O)Nc2ccc3c(c2)OCO3)S(C)(=O)=O)c1C 222629473 MEIYYEFNCQDBBD-UHFFFAOYSA-N 404.488 3.217 0 40 HGAB CNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CCCOc1ccc(OC)cc1 222856270 MAUWQHYJCKHSFO-KRWDZBQOSA-N 414.502 3.026 0 40 HGAB Cc1ccc(NC(=O)CN(C2CCCCC2)S(C)(=O)=O)c(Br)c1 223059101 JNFMLQLYTNRNCR-UHFFFAOYSA-N 403.342 3.290 0 40 HGAB COc1ccc(CNC(=O)c2ccc3c(c2)S(=O)(=O)N=C(C)N3CC(C)C)cc1 223119431 TVAVEYVKDHVZPR-UHFFFAOYSA-N 415.515 3.208 0 40 HGAB CCOCCCNC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)c(C)c1 224209410 FQTDFCWOWFUUQM-UHFFFAOYSA-N 404.532 3.285 0 40 HGAB CCc1cccc(C)c1N(CCCC(=O)NCCOc1ccccc1)S(C)(=O)=O 224842498 YRXIMQCOJNEWDV-UHFFFAOYSA-N 418.559 3.299 0 40 HGAB O=C(NCCCc1ccc(F)cc1)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 225537586 HDCJBWXVVPCVSI-KRWDZBQOSA-N 422.497 3.115 0 40 HGAB O=S(=O)(Cc1noc2ccccc12)NC[C@](O)(c1ccsc1)c1cccs1 238871506 NAEFKBQAPQWIPH-SFHVURJKSA-N 420.537 3.306 0 40 HGAB Cc1ccc(NC(=O)C(=O)NCC2CCN(C3CCSCC3)CC2)cc1Cl 244933180 CFKRTQZTGFZCEJ-UHFFFAOYSA-N 409.983 3.311 0 40 HGAB CC(C)Oc1ccc(NC(=O)[C@]23C[C@H]2CN(Cc2ccccc2)S3(=O)=O)cc1 260840468 VGDABPJMCMAKJZ-UWJYYQICSA-N 400.500 3.017 0 40 HGAB Cc1ccccc1NC(=O)COc1ccc(S(=O)(=O)N2CCCCC2)cc1C 408563661 WFQPHHBOCKAVST-UHFFFAOYSA-N 402.516 3.496 0 40 HGAB COCCNC(=O)CSc1nnc(CCc2ccccc2)n1-c1cccc(C)c1 409201072 LPCYGCWCHYCZPQ-UHFFFAOYSA-N 410.543 3.216 0 40 HGAB COc1ccccc1OCc1nnc(SCC(=O)N[C@H](C)c2ccccc2)n1C 409347872 NFPPSUZPJXKCPM-OAHLLOKOSA-N 412.515 3.372 0 40 HGAB Cc1ccc(NC(=O)NC[C@H]2CCCN(C(=O)N[C@@H]3CCOC(C)(C)C3)C2)cc1 555144459 CBLGLRQNPMNBHF-IEBWSBKVSA-N 402.539 3.496 0 40 HGAB C[C@H]1c2nc(C(=O)NCc3ccco3)cn2CCN1C(=O)c1cc2ccccc2[nH]1 585096560 SXPZHXQXWMZSMF-AWEZNQCLSA-N 403.442 3.104 0 40 HGAB CC(C)N[C@@H]1C[C@@H](O)[C@H](CO)[C@H]1Cc1ccnc(-c2cccc(C(F)(F)F)c2)n1 604382190 JPLAWNLXDDYIGY-NCXUSEDFSA-N 409.452 3.061 0 40 HGAB biogenic,in-vitro CCn1cc(C(=O)N2CCC[C@@]3(CCCCc4ccccc4OCCNC3=O)C2)cn1 643560085 KGYFLPNWBUHBPZ-DEOSSOPVSA-N 424.545 3.047 0 40 HGAB CC1=C(C(=O)Nc2ccccn2)[C@@H](c2ccc(Cl)cc2Cl)n2nnnc2N1 950932 QKUNMSNZIGTTBG-OAHLLOKOSA-N 402.245 3.303 0 40 HGAB CCc1c(C)c2ccc(OCC(=O)NCC3CCC(C(=O)O)CC3)cc2oc1=O 2127129 SEGTZRRVJWOQKQ-UHFFFAOYSA-N 401.459 3.050 0 40 HGAB biogenic Cc1cc(NC(=O)CN(C)S(=O)(=O)c2cccs2)ccc1Br 2467608 CEWCMCGZEBKHQU-UHFFFAOYSA-N 403.323 3.078 0 40 HGAB COc1ccc(C)c2sc(NC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)nc12 2723908 RAMZHJAGLSPGGC-UHFFFAOYSA-N 405.501 3.116 0 40 HGAB CN(c1ccccc1)S(=O)(=O)c1ccccc1C(=O)Nc1ccc2c(c1)OCO2 3438617 RSUAMXXQSWRGBH-UHFFFAOYSA-N 410.451 3.493 0 40 HGAB COC(=O)c1cc(Oc2cnn(-c3ccccc3)c(=O)c2Cl)cc(C(=O)OC)c1 3566571 GZSIQOMRIJVCCL-UHFFFAOYSA-N 414.801 3.251 0 40 HGAB COc1ccc(NC(=O)c2ccc(C)c(N3CCCCS3(=O)=O)c2)cc1OC 5135899 ZZLBHGIXJMMNIP-UHFFFAOYSA-N 404.488 3.195 0 40 HGAB CC(=O)c1ccc(S(=O)(=O)N2CCc3cc4c(cc3[C@@H]2C)OCCCO4)cc1 5424072 NEAQRXTWGSALFX-AWEZNQCLSA-N 401.484 3.359 0 40 HGAB COc1cc2c(cc1OC)[C@@H](C)N(Cc1nc(N)nc(Nc3ccccc3)n1)CC2 5450997 GWTXAGLABABMNE-CQSZACIVSA-N 406.490 3.334 0 40 HGAB COc1ccc(OC)c([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCO)c1 5552165 FUFOCEOTFMHYBZ-GOSISDBHSA-N 415.829 3.001 0 40 HGAB O=C(N[C@@H]1CCCc2ccccc21)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 6283424 QOLZWZVXIUBQMG-OAQYLSRUSA-N 416.518 3.420 0 40 HGAB COc1ccccc1CNC(=O)CNCCSc1ccc(Br)cc1 6602843 RTYOYUNNJQAWNF-UHFFFAOYSA-N 409.349 3.456 0 40 HGAB CC(C)NC(=O)CSc1ccccc1C(=O)Nc1ccccc1C(=O)NC1CC1 6846251 IQKVKFAFBNBOMN-UHFFFAOYSA-N 411.527 3.448 0 40 HGAB O=C(OCCOC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCC3)c1ccccc1 6946084 WKXXVIQRDHMYGN-UHFFFAOYSA-N 406.438 3.137 0 40 HGAB CCCn1c(SCCOc2ccc(OC)cc2)nc2cc(S(N)(=O)=O)ccc21 6979097 IEPSUVIJJMNBFI-UHFFFAOYSA-N 421.544 3.273 0 40 HGAB CC(=O)c1ccc(NC(=O)CSc2nnc(NC(=O)c3ccco3)s2)cc1 7388762 JBTDDSJJFDNVCO-UHFFFAOYSA-N 402.457 3.317 0 40 HGAB O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)[C@H]1CC(=O)N(C2CCCC2)C1 7399132 WHGUJMFIAWBZFW-KRWDZBQOSA-N 407.518 3.401 0 40 HGAB CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)C[C@H]1c2ccccc2C=CN1C(C)=O 7775489 XXFPEULMFCVIDE-NRFANRHFSA-N 416.481 3.236 0 40 HGAB Cn1nc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)c2ccccc2c1=O 8036479 SEYBPERUOMUNGB-SFHVURJKSA-N 405.454 3.072 0 40 HGAB Cc1cccc(C)c1N1C[C@@H](C(=O)OCC(=O)Nc2ccccc2Cl)CC1=O 8040051 KGBBFWUVHJRJGF-HNNXBMFYSA-N 400.862 3.492 0 40 HGAB Cc1ccc(-c2nnc([C@H](C)OC(=O)c3cccc(S(=O)(=O)N(C)C)c3)o2)cc1 8291900 FLXHJYYLCBKBEA-AWEZNQCLSA-N 415.471 3.213 0 40 HGAB Cc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccccc3C)CC2=O)cc1Cl 8433766 DSFAYQYGVZHOMX-OAHLLOKOSA-N 400.862 3.492 0 40 HGAB C[C@H]1CCCC[C@H]1NC(=O)COC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 8928972 BSZNSQKJJPHZPZ-MGPUTAFESA-N 420.465 3.339 0 40 HGAB CCOc1ccccc1NC(=O)CNc1cccc(S(=O)(=O)N(CC)CC)c1 9220575 JGFWIQGHUQQYKW-UHFFFAOYSA-N 405.520 3.166 0 40 HGAB COc1ccccc1N1C(=S)N(Cc2ccc(Cl)cc2)[C@@H]2CS(=O)(=O)C[C@@H]21 9343897 GQGTXPKSRXOYPX-SJORKVTESA-N 422.959 3.121 0 40 HGAB O=C(CSc1ncnc2sccc12)c1ccc(CC(=O)N2CCOCC2)s1 9789983 ACCQPCNMOMAKFO-UHFFFAOYSA-N 419.553 3.129 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccccc3F)C2)cc1C 9974521 MJPLQRITGWMPNY-OAHLLOKOSA-N 406.479 3.182 0 40 HGAB Cc1ccc(N(CCCC(=O)Nc2ccc(C(=O)O)cc2)S(C)(=O)=O)cc1C 10331935 OMJPJIOVMYYBNA-UHFFFAOYSA-N 404.488 3.187 0 40 HGAB Cc1ccc(S(=O)(=O)CCCC(=O)Nc2nnc(Cc3cccs3)o2)cc1 11694673 UQPKDHGWMSUDRB-UHFFFAOYSA-N 405.501 3.223 0 40 HGAB COc1cc([C@H]2[C@H](C(=O)Nc3ccc(Cl)cc3)[C@@H](C)Nc3ncnn32)ccc1O 11694873 AXBUNIMTJDZABI-AFBMGJRZSA-N 413.865 3.304 0 40 HGAB CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)OCC(=O)N1[C@@H](C)CCC[C@H]1C 12617123 KYAAXZPXGXRKKK-QKLQHJQFSA-N 404.507 3.270 0 40 HGAB O=C(Cn1cnc2sccc2c1=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 12763333 JUKKICVVGOFIDS-UHFFFAOYSA-N 404.423 3.498 0 40 HGAB CC(=O)Nc1ccc(C(=O)[C@H](C)Sc2nnc(NC[C@@H]3CCCO3)s2)cc1 12811687 JKYSXWHWHPHFKN-NHYWBVRUSA-N 406.533 3.451 0 40 HGAB Cc1cc(C)c(C)c(S(=O)(=O)NCc2ccccc2CN2CCOCC2)c1C 12856956 YAMKZGSUDKHOOV-UHFFFAOYSA-N 402.560 3.231 0 40 HGAB CSc1nc2nc(C)c(CCC(=O)NCCc3cccc(Cl)c3)c(C)n2n1 12981572 MHHWAINDLXUAAA-UHFFFAOYSA-N 403.939 3.408 0 40 HGAB O=C(CSc1nnc(-c2ccccc2F)n1C1CC1)Nc1ccc2[nH]c(=O)[nH]c2c1 13865679 JLYLESYJSFKBMG-UHFFFAOYSA-N 424.461 3.320 0 40 HGAB CN(Cc1ccc(C(F)(F)F)cc1)Cn1nc([C@H]2CCS(=O)(=O)C2)oc1=S 14201690 VYFLSRNVPCTWSX-LBPRGKRZSA-N 421.466 3.216 0 40 HGAB CCNC(=O)NC(=O)[C@H](C)N(C)Cc1ccc(-c2ccc(Br)cc2)o1 15481071 LZEWOXNBEDJCJU-LBPRGKRZSA-N 408.296 3.375 0 40 HGAB Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(=O)Nc3ccncc3)CC2)c1C 15934744 QAKJFBSDYIJMOI-UHFFFAOYSA-N 401.532 3.355 0 40 HGAB C[C@H](c1ccc(-n2cncn2)cc1)N(C)CC(=O)NCCc1c[nH]c2ccccc12 16695537 NULPNNGKLGLRIH-QGZVFWFLSA-N 402.502 3.100 0 40 HGAB COc1ccc(NC(=O)Nc2nc(CCC(=O)NCc3ccccn3)cs2)cc1 16849091 QICBWUODYDDLEL-UHFFFAOYSA-N 411.487 3.440 0 40 HGAB COc1cc(NC(=S)N2CCN(Cc3ccccc3)CC2)cc(OC)c1OC 17082263 CVCAFUZWDCVAOY-UHFFFAOYSA-N 401.532 3.227 0 40 HGAB O=C(c1ccccc1)[C@H]1[C@H]2C(=O)N(c3cccc4ccccc34)C(=O)[C@H]2[C@H]2C=CC=NN12 18102371 JMSBTGJKQCNTKZ-WZYRSQIMSA-N 421.456 3.437 0 40 HGAB Cc1ccc(Cl)cc1N1CCN(Cc2nnnn2Cc2ccc(F)cc2)CC1 19214590 WYPSSHFLNUVHND-UHFFFAOYSA-N 400.889 3.145 0 40 HGAB Cn1cc(CN2CCC[C@H]([C@@H](NC(=O)Cc3ccccc3)c3ccccn3)C2)cn1 19290670 PKBWIODTSVJKRX-XUZZJYLKSA-N 403.530 3.127 0 40 HGAB O=c1cc([C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2)nc(N2CCOCC2)[nH]1 19293307 VZJWIMBQOFLRRV-MRXNPFEDSA-N 422.451 3.005 0 40 HGAB O=C(c1occ2ccccc12)N1CCC([C@H]2Nc3ccccc3S(=O)(=O)N2)CC1 19376619 ULSKCMSEQBASGC-FQEVSTJZSA-N 411.483 3.015 0 40 HGAB COCCC(=O)N[C@H](c1ccccn1)[C@@H]1CCCN(Cc2ccc(F)c(F)c2)C1 19593231 XPHCJWWZTDRUJM-VGSWGCGISA-N 403.473 3.466 0 40 HGAB CN(Cc1ccccc1N1CCOCC1)C(=O)C1(c2cccc(F)c2)CCOCC1 19662152 OERORGMJPUAAKV-UHFFFAOYSA-N 412.505 3.369 0 40 HGAB CC(=O)N1CCC(c2ccc(C(=O)N[C@@H](C)Cc3ccc(N(C)C)cc3)cn2)CC1 19708265 YZNRPSMRBXSNTP-KRWDZBQOSA-N 408.546 3.235 0 40 HGAB CNC(=O)c1ccc([C@@H]2CCCN2C(=O)C2(c3ccccc3)CCOCC2)nc1C 19711220 QREDAXPOLULCNY-NRFANRHFSA-N 407.514 3.162 0 40 HGAB Cc1ccc(OCCN2CCCC2)c(NC(=O)c2sc3nc[nH]c(=O)c3c2C)c1 19717812 SMRHVDOBRMQTRA-UHFFFAOYSA-N 412.515 3.328 0 40 HGAB CSc1ccc([C@H](C)NC(=O)CN(Cc2ccc(F)cc2)S(C)(=O)=O)cc1 20015366 WJEQOQKMKVXSEY-AWEZNQCLSA-N 410.536 3.187 0 40 HGAB O=C(CN(Cc1ccco1)S(=O)(=O)c1ccccc1F)N1CCc2ccccc21 21030713 ATZIGXZJAXYCMU-UHFFFAOYSA-N 414.458 3.199 0 40 HGAB O=C(CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O)OCc1nc2ccccc2s1 22096497 SEGHLBNIPDFLRG-QFIPXVFZSA-N 421.478 3.123 0 40 HGAB COc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2c(F)cccc2F)c1 22229867 OZDNWGCZWZDVSI-INIZCTEOSA-N 410.442 3.074 0 40 HGAB CCOc1cn(-c2ccc(F)cc2)nc1C(=O)N1CCN(Cc2ccccc2)CC1 23128112 ITQHRZLSWMOKQY-UHFFFAOYSA-N 408.477 3.368 0 40 HGAB O=C(Nc1cc(Cl)ccc1Cl)c1c2c(nn1[C@H]1CCS(=O)(=O)C1)CCC2 23136967 VTCJOVGKIDSTDE-NSHDSACASA-N 414.314 3.291 0 40 HGAB CN1CCN(c2nnc(SCC(=O)Nc3cccc(C(F)(F)F)c3)s2)CC1 23139719 WEKINUITZHVTHA-UHFFFAOYSA-N 417.482 3.040 0 40 HGAB COC(=O)c1cn(CC(=O)NC[C@@H](c2ccccc2)N2CCCC2)c2ccccc12 23739807 IAVGUXBJHQTTKX-QFIPXVFZSA-N 405.498 3.381 0 40 HGAB CCc1c(C(=O)NC[C@H]2CN(CC(C)C)CCO2)cnn1-c1cccc(Cl)c1 24571145 HIDCWGAMYLGFRM-SFHVURJKSA-N 404.942 3.175 0 40 HGAB c1ccc(-n2nnnc2CSc2nnc(N3CCCCC3)n2Cc2ccco2)cc1 25067349 RUUYTCGSDHZKCF-UHFFFAOYSA-N 422.518 3.178 0 40 HGAB Cc1cc(N2CCN(CC(=O)N(C)Cc3ccc(Cl)s3)CC2)nc(C(C)C)n1 29632272 OQBPOULCYGLFEG-UHFFFAOYSA-N 421.998 3.404 0 40 HGAB Cc1nn(C)c2[nH]c(=O)c(CCC(=O)N3CCc4[nH]c5ccc(F)cc5c4C3)c(C)c12 32827656 FIEJZRSVMKYSAX-UHFFFAOYSA-N 421.476 3.016 0 40 HGAB O=C(c1ccc(Br)o1)N1CCN(Cc2nc(-c3cccs3)no2)CC1 32873999 WLEJAIFQBSIDCV-UHFFFAOYSA-N 423.292 3.112 0 40 HGAB C[C@@H]1CCc2c(sc3ncnc(SCC(=O)NCCCN4CCCC4=O)c23)C1 32911187 JHXSYPKHDRMALH-CYBMUJFWSA-N 418.588 3.037 0 40 HGAB Cc1ccc(-c2cnc(NC(=O)C[C@@H]3NC(=O)N(C4CCCCC4)C3=O)n2C)cc1C 36752186 NBPWOGROARZPNN-SFHVURJKSA-N 423.517 3.286 0 40 HGAB CN1CC(=O)Nc2cc(C(=O)NC[C@H](c3ccccc3Cl)N3CCCC3)ccc21 40155389 WPWNGQJAVFFRCY-HXUWFJFHSA-N 412.921 3.295 0 40 HGAB C[C@H](CCc1ccccc1)NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccccc1F 40160445 YYPNVERGVYUAQO-VQIMIIECSA-N 404.507 3.116 0 40 HGAB COc1ccccc1CCn1ccc2c(nnc3c(-c4ccc(F)cc4)cnn32)c1=O 40391410 ISIYMFSLDGSQSC-UHFFFAOYSA-N 415.428 3.497 0 40 HGAB Cc1nc(-c2ccc(N3CCN(C(=O)Cc4cccc5ccccc45)CC3)nc2)no1 42380507 SZBRPFYKDUCBIG-UHFFFAOYSA-N 413.481 3.485 0 40 HGAB Cc1ccc2c(c1)cc(CN(Cc1nnnn1C(C)(C)C)C1CCCC1)c1nnnn12 57679023 WZJKNEQMKCUOBP-UHFFFAOYSA-N 419.537 3.272 0 40 HGAB Cc1ccc(-c2cc(C(=O)NC[C@H](c3ccc(F)cc3)N3CCOCC3)n[nH]2)s1 57739555 IPIDMZZCZCZZPG-LJQANCHMSA-N 414.506 3.389 0 40 HGAB COc1ccc(-c2ccc(=O)n(CC(=O)Nc3nc(C(C)(C)C)cs3)n2)c(F)c1 61718041 FKDMUVAFAFQVFI-UHFFFAOYSA-N 416.478 3.451 0 40 HGAB CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(N3CCCCC3)cc2)cn1 62062183 BCRPEZPZLMSIDV-UHFFFAOYSA-N 409.534 3.173 0 40 HGAB CC(C)c1nnc2c(=O)n(CC(=O)NCc3ccc(Cl)cc3)c3ccccc3n12 64871691 NAFVAESPFHZGIK-UHFFFAOYSA-N 409.877 3.137 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2cnc(N3CCOCC3)cc2C)cc1 72219410 ONMQBLFGNCQBLG-FQEVSTJZSA-N 401.532 3.061 0 40 HGAB Cn1cc(C(=O)N2CCC[C@H](c3nc(N)ncc3-c3ccc(Cl)cc3)C2)ccc1=O 72346200 GUCGBHIMWFKGGH-HNNXBMFYSA-N 423.904 3.098 0 40 HGAB CC(C)(C)OC(=O)CN(C(=O)Cc1noc2ccccc12)c1ccc2c(c1)OCO2 78976101 OCXDNXXGTNKAJE-UHFFFAOYSA-N 410.426 3.474 0 40 HGAB CCCn1cc(CN2CCCN(C(=O)Nc3cnn(Cc4ccccc4)c3)CC2)cn1 89960718 ZVLUHIUXQZOQJP-UHFFFAOYSA-N 421.549 3.278 0 40 HGAB O=C(O)[C@H]1c2ccccc2CCN1C(=O)c1nn(-c2ccccc2F)c2c1CCC2 95970194 XGLICMZLQLPMGR-OAQYLSRUSA-N 405.429 3.324 0 40 HGAB CCNC(=O)Nc1c[nH]nc1[C@H]1CCCN(C(=O)c2cccc(-n3cccc3)c2)C1 95998670 RBXPTBXZQLIIMS-KRWDZBQOSA-N 406.490 3.362 0 40 HGAB O=C1CS[C@H](c2ccc3c(c2)OCO3)c2c(O)nn(C3CCSCC3)c2N1 96118375 MNAJJNJFJIXQKX-MRXNPFEDSA-N 405.501 3.160 0 40 HGAB COc1ccc2c(c1)O[C@]1(C[C@H]3CC[C@H]1C[C@H]3C(=O)N[C@@H](C)c1ccccn1)NC2=O 100181876 QGCPTJCQAHVQQH-ZZEJJNSGSA-N 421.497 3.222 0 40 HGAB CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@@]4(O)CCCC[C@]4(C)[C@H]3[C@H](OC(C)=O)C[C@]12C 118927933 DFIRLJQMOGCRHN-RRIJQGFWSA-N 406.519 3.186 0 40 HGAB C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)N[C@H](C)[C@@H]3C[C@@H]4CC[C@@H]3C4)c2)C[C@@H](C)O1 195537531 ZUYSEEWWDITFOL-QQXGMVDDSA-N 420.575 3.039 0 40 HGAB Cc1ccc(CCCNC(=O)[C@H](C)N(c2ccc(F)c(F)c2)S(C)(=O)=O)cc1 220458589 BWNPOJNRXDJGPW-HNNXBMFYSA-N 410.486 3.177 0 40 HGAB CC[C@H](C(=O)Nc1ccc(OC)cc1OC)N(c1cccc(C)c1)S(C)(=O)=O 220497031 ARWMQFLGMDPAMJ-GOSISDBHSA-N 406.504 3.196 0 40 HGAB CCOc1ccc(CCCNC(=O)c2ccc(N3CCCCS3(=O)=O)cc2)cc1 222590104 ZIGFUOFJXBSMNG-UHFFFAOYSA-N 416.543 3.378 0 40 HGAB Cc1ccc(-c2nnc(NC(=O)c3ccc(NS(C)(=O)=O)c(C)c3)s2)cc1 223392115 XYKDALHEBAQZSB-UHFFFAOYSA-N 402.501 3.446 0 40 HGAB COc1ccc(S(=O)(=O)N(C)Cc2nc(-c3cccc(C)c3)no2)c(C)c1C 225069816 UBGHEFNCAIROCC-UHFFFAOYSA-N 401.488 3.491 0 40 HGAB Cc1nc2ccccn2c1-c1nnc2sc(COc3ccc4c(c3)OCCO4)nn12 227143623 YEEVHCVGLVYDFT-UHFFFAOYSA-N 420.454 3.159 0 40 HGAB Cc1c(C(=O)NCc2nnc3ccc(-c4cccs4)nn23)cnn1-c1ccccc1 238813747 AYERRLYVYYHIPA-UHFFFAOYSA-N 415.482 3.277 0 40 HGAB CC(C)(C(=O)N1CCO[C@@H](c2cccc(-c3cnc(N)nc3)n2)C1)c1cccc(F)c1 257217463 CZBWBKVLZTZYSB-HXUWFJFHSA-N 421.476 3.138 0 40 HGAB CCCN1CCN(Cc2cc[nH]n2)C[C@H](Cc2ccccc2-c2cccnc2)C1=O 257226260 FJWUYEPGLCWTBR-NRFANRHFSA-N 403.530 3.385 0 40 HGAB CO[C@H]1CC[C@H](C(=O)N[C@H](Cc2cc(O)n3nc(C)cc3n2)c2ccccc2)CC1 257340806 ZHPMMBMVJDMATG-MISYRCLQSA-N 408.502 3.349 0 40 HGAB COC[C@H](C)NC(=O)CN(c1cccc(Cl)c1C)S(=O)(=O)c1ccc(C)cc1 408610360 QIGSBGLNSWBOQQ-HNNXBMFYSA-N 424.950 3.303 0 40 HGAB O=C(Oc1ccc(I)cc1)c1ccc(N2C(=O)CCC2=O)cc1 408721482 IPTINPVLRJGOMT-UHFFFAOYSA-N 421.190 3.164 0 40 HGAB COc1ccc(CNC(=O)CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)cc1 408908999 ZXOUJWXOLYCCRT-UHFFFAOYSA-N 417.314 3.084 0 40 HGAB COc1ccccc1/C=[N+]1\NC(=O)[C@H](NC(=O)c2ccc(C)cc2)[C@H]1c1ccccc1 409073966 UZWYXSNHSFOKSA-WFZBXURCSA-O 414.485 3.020 0 40 HGAB O=C(Cc1ccccn1)N1CCC2(CC1)CN(C(=O)N1CCCC1)c1ccccc12 585103006 BFKAVAAZBCOCPM-UHFFFAOYSA-N 404.514 3.220 0 40 HGAB O=C(c1cccc(OC(F)(F)F)c1)N1CC(Cn2cc(Br)cn2)C1 1889191426 MHDPRWSVWOZWPG-UHFFFAOYSA-N 404.186 3.316 0 40 HGAB COC(=O)CSc1nnc(CSc2nc(C)cc(C)n2)n1-c1ccccc1 925099 BDVPSTGXVRCNFP-UHFFFAOYSA-N 401.517 3.232 0 40 HGAB O=C1c2sc3nnc(-c4ccccc4)c(=O)n3c2C(=O)N1c1ccccc1Cl 946911 JVEFZVUKBRQCDB-UHFFFAOYSA-N 408.826 3.272 0 40 HGAB O=C(O)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1NCC1CCCCC1 2198578 WEGHYUGNMORWSE-UHFFFAOYSA-N 416.927 3.051 0 40 HGAB CCOC(=O)[C@@](Nc1ccc(F)cc1)(NS(=O)(=O)c1ccccc1)C(F)(F)F 2217922 OGTLZIZSVZHIES-MRXNPFEDSA-N 420.384 3.038 0 40 HGAB CCOC(=O)[C@@H](NC(=O)/C(=C/c1ccccc1F)NC(=O)c1ccccc1)C(C)C 2227900 GTNIEOIAVYITJV-STIKNRRDSA-N 412.461 3.301 0 40 HGAB COCCCNC(=S)N(Cc1cc2cc(C)c(C)cc2[nH]c1=O)C[C@H]1CCCO1 4133009 MGYJYYMXHHAGCR-LJQANCHMSA-N 417.575 3.037 0 40 HGAB CCc1ccc(OCC(=O)N(Cc2ccc(Cl)cc2)[C@H]2CCS(=O)(=O)C2)cc1 4183060 XSDHDCPYWNRRJY-IBGZPJMESA-N 421.946 3.497 0 40 HGAB Cc1ccccc1Cn1c(=O)c2c(nc3n2C[C@H](C)CN3c2ccccc2)n(C)c1=O 4249178 HSCWEEFKDDWAQX-MRXNPFEDSA-N 415.497 3.041 0 40 HGAB C[C@H](NC(=O)C(=O)NC[C@H](c1ccco1)N1CCc2ccccc21)c1ccccc1 4305392 ZCNNGPTVQXQDSA-LAUBAEHRSA-N 403.482 3.377 0 40 HGAB C[C@@H](Sc1ccc(S(=O)(=O)N2CCCCC2)cn1)C(=O)NCc1ccccc1 5218281 QTOLVOFLXLTABS-MRXNPFEDSA-N 419.572 3.053 0 40 HGAB COc1ccc(CCN[C@H](CC(=O)Nc2cccc3ccccc23)C(=O)O)cc1OC 5258059 NWPNPXPRXQMNJA-HXUWFJFHSA-N 422.481 3.471 0 40 HGAB CC[C@@H](C(=O)Nc1ccc(Br)cc1F)n1nnc2ccccc2c1=O 5324103 GZAHLVBCKRXORB-HNNXBMFYSA-N 405.227 3.283 0 40 HGAB CCCn1c(S[C@@H](C)c2nc3sc4c(c3c(=O)[nH]2)CC[C@@H](C)C4)n[nH]c1=O 5983442 OQUDRUAGJPTALS-ZJUUUORDSA-N 405.549 3.258 0 40 HGAB COc1ccccc1CNC(=O)COC(=O)c1c(NC(C)=O)sc2c1CCCC2 6022537 XXPDYYUWFSDPDU-UHFFFAOYSA-N 416.499 3.067 0 40 HGAB Cc1cc(C)n(CCCNC(=O)CSc2nnc(C3CC3)n2-c2ccccc2)n1 6820774 WFLZXJHAHSIZTB-UHFFFAOYSA-N 410.547 3.257 0 40 HGAB O=C(Cn1ncc(=O)c2ccccc21)Nc1ccc(-c2nnc3n2CCCCC3)cc1 7957934 POSBNXFKPGXWMR-UHFFFAOYSA-N 414.469 3.020 0 40 HGAB Cc1cccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(C)c(Cl)c3)CC2=O)c1 8037148 KRKHHVLKMDVTJU-HNNXBMFYSA-N 400.862 3.492 0 40 HGAB COc1cccc(CCC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)c1OC 8128185 MFNSUWUEADIORA-UHFFFAOYSA-N 418.515 3.060 0 40 HGAB COc1ccc(C)cc1[C@@H](C)NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 8128343 IDASJGFGMJAKJH-MRXNPFEDSA-N 402.516 3.279 0 40 HGAB COc1ccc2cc(CN(C)C(=O)Cn3ncc(Cl)c(Cl)c3=O)ccc2c1 8373197 QTLYXGNELDRWBE-UHFFFAOYSA-N 406.269 3.371 0 40 HGAB COc1cc(OC)c(/C=c2/sc3nc4ccccc4n3c2=O)cc1Br 9311742 GTSBHZMXKCAOKX-LZYBPNLTSA-N 417.284 3.237 0 40 HGAB CCc1nccn1CCC(=O)N1CCC[C@@H](c2nc3ccc(F)cc3cc2C(N)=O)C1 12221295 YPDCCZSMSBPCMA-OAHLLOKOSA-N 423.492 3.028 0 40 HGAB Cc1cc(-c2snnc2[C@H]2CCCN(C(=O)c3[nH]nc4c3C[C@H](C)CC4)C2)on1 12221514 NUAZWBLGGDRRKS-YPMHNXCESA-N 412.519 3.369 0 40 HGAB CCC(CC)C(=O)N1CCN(S(=O)(=O)c2cc(Cl)cnc2C2CCC2)CC1 12241880 NKNIJHAZJOQSDV-UHFFFAOYSA-N 413.971 3.272 0 40 HGAB CCCCOc1ccccc1NC(=O)Cn1c(-c2nonc2N)nc2ccccc21 12410814 WUOMFTQBSOWCGO-UHFFFAOYSA-N 406.446 3.486 0 40 HGAB aggregator O=C(NCc1ccc(F)cc1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 12737810 NAJDFLHWOVFZKU-ZDUSSCGKSA-N 402.900 3.010 0 40 HGAB CCOC(=O)c1oc2ccccc2c1COC(=O)CCN1C(=O)COc2ccccc21 12787838 UISXPOHJDFMHIW-UHFFFAOYSA-N 423.421 3.468 0 40 HGAB CCOc1ccc([C@@H](CNC(=O)c2ccc(C)c(F)c2)N2CCOCC2)cc1OC 12816106 OFCBUWJZCZIBPU-HXUWFJFHSA-N 416.493 3.345 0 40 HGAB CS(=O)(=O)Nc1cccc(CNC(=O)C2(c3ccc(Br)cc3)CC2)c1 12819908 ZRYIXHYAGHVQMA-UHFFFAOYSA-N 423.332 3.169 0 40 HGAB Cc1cc(N2CCN([C@H](C)C(=O)Nc3ccc(F)c(F)c3)CC2)nc(C(C)C)n1 12855962 LDRJBAKPXUAVEE-OAHLLOKOSA-N 403.477 3.336 0 40 HGAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)CCn2ncc(=O)c3ccccc32)c1 12935101 ISEJSQOJJXRHRZ-IBGZPJMESA-N 407.470 3.168 0 40 HGAB CC(C)c1c(C(=O)N2CCN(c3ncccn3)CC2)cnn1-c1cccc(Cl)c1 12972659 GAKZYSXUADBQBW-UHFFFAOYSA-N 410.909 3.402 0 40 HGAB Cc1cc(-c2snnc2[C@@H]2CCCN(C(=O)[C@H](C)Cn3ccc(C)n3)C2)on1 13227734 LGEOHXWOCSOJPJ-IUODEOHRSA-N 400.508 3.049 0 40 HGAB CC[C@H](C(=O)N(C)Cc1ccc(OC)cc1)N(c1ccc(C)cc1)S(C)(=O)=O 13713957 FJOMFLNFWSADSJ-HXUWFJFHSA-N 404.532 3.207 0 40 HGAB O=C1OC(c2ccc(C3=N/C(=C\c4ccccn4)C(=O)O3)cc2)=N/C1=C\c1ccccn1 16545919 SEMZRKPODXQMLB-AXPXABNXSA-N 422.400 3.166 0 40 HGAB Cc1cnn(CCC(=O)N2CCC[C@H]2c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C)N3)c1 19239992 VHCRXXMCSBXMFC-VNQPRFMTSA-N 410.444 3.449 0 40 HGAB O=C1CCCC[C@H]1CCC(=O)N1CCC(c2cc(C(F)(F)F)n3ncnc3n2)CC1 19292058 WZLMVWKLBJXGHX-AWEZNQCLSA-N 423.439 3.389 0 40 HGAB Cc1noc2nc([C@H]3CCCN(C(=O)[C@@H](C)N4CCCC4=O)C3)cc(C(F)(F)F)c12 19563738 XNKLMBMGBSVXPZ-OLZOCXBDSA-N 424.423 3.267 0 40 HGAB Cc1cc(CN2CCN(c3ccccc3[C@@H](O)c3nccn3C)CC2)cc(C)c1O 19570017 KQNGZJRHTBITBB-HSZRJFAPSA-N 406.530 3.146 0 40 HGAB Cc1nn(C)cc1CN1CCC(O)(Cn2cccc3cc(C(F)(F)F)nc2-3)CC1 19583755 GRZBFPHVKXMYGP-UHFFFAOYSA-N 407.440 3.076 0 40 HGAB COCCOc1cccc(CN2CCC[C@H](c3nc(-c4ccncc4)cc(=O)[nH]3)C2)c1 19593792 ZBMYXFGUPODJFL-FQEVSTJZSA-N 420.513 3.237 0 40 HGAB CN(C)c1ncc(CN2CC[C@H](c3cc(COc4cccc(Cl)c4)[nH]n3)C2)cn1 19704614 NOJWIJSYUAWGSY-INIZCTEOSA-N 412.925 3.488 0 40 HGAB COc1ccc(C(=O)N2CCC[C@@H]2c2ccc(C(=O)Nc3nccs3)cn2)cn1 19708762 SXBHUYDMDQKPME-MRXNPFEDSA-N 409.471 3.171 0 40 HGAB CNc1nc(N2CCN(Cc3ccccc3)CC2)nc2c1C(=O)C[C@H](c1ccco1)C2 20503116 FLSISTUAZWSRGE-GOSISDBHSA-N 417.513 3.346 0 40 HGAB O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(F)(F)F)c1ccco1 20836327 OEKIQMMGFRJSCJ-UHFFFAOYSA-N 418.393 3.258 0 40 HGAB CCOC(=O)c1c(CC(C)C)csc1NC(=O)COC(=O)C1(O)CCCCC1 22226269 FMPVSZJIMZZKDF-UHFFFAOYSA-N 411.520 3.300 0 40 HGAB COc1ccc(CNC(=O)[C@@H](C)N2CCN(Cc3cccc(Cl)c3)CC2)cc1 22819404 OIHFKWHKFUMQSQ-QGZVFWFLSA-N 401.938 3.171 0 40 HGAB CCOc1ccccc1-c1noc(Cn2c(=O)n(C(C)C)c(=O)c3ccccc32)n1 23126707 HGWINTUWXATTNX-UHFFFAOYSA-N 406.442 3.241 0 40 HGAB CC1=C(C(=O)N2CCOCC2)[C@@H](c2c(F)cccc2Cl)NC(=S)N1C1CC1 24274660 VETUSWHTGDXBHT-KRWDZBQOSA-N 409.914 3.006 0 40 HGAB Cc1cc(C(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)c(C)n1CC(F)(F)F 26062675 WOCRXCZWXZMWQF-UHFFFAOYSA-N 415.437 3.360 0 40 HGAB COc1cccc(N2C[C@@H](C(=O)NCCOc3ccc4ccccc4c3)CC2=O)c1 30446167 PWJOKEJTYAWMME-IBGZPJMESA-N 404.466 3.397 0 40 HGAB O=C(c1cc2ccccc2cc1OC[C@@H](O)COc1ccccc1)N1CCOCC1 30533065 DGDHOKGAUBODSB-FQEVSTJZSA-N 407.466 3.131 0 40 HGAB CN(C(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1)C1CCCC1 30865927 ZVJPISYGISWJRF-HXUWFJFHSA-N 400.500 3.044 0 40 HGAB COc1ccc(CSC2=N[C@H]3CS(=O)(=O)C[C@@H]3N2c2ccc(C)cc2)cc1 32639759 NELOUFMUSBJBJU-OALUTQOASA-N 402.541 3.279 0 40 HGAB Cc1nc(CSc2ccccc2C(=O)N2CCN(c3nccs3)CC2)no1 32754650 BDYFZLLMIVKPNA-UHFFFAOYSA-N 401.517 3.089 0 40 HGAB COc1ccc(Br)cc1CN(C)C(=O)[C@H]1CCCN(c2cnccn2)C1 32777413 XNVQWSPUAJUENN-AWEZNQCLSA-N 419.323 3.123 0 40 HGAB CCc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1S(=O)(=O)N1CCOCC1 32796233 IKFGXULTFWWIFF-UHFFFAOYSA-N 408.907 3.176 0 40 HGAB C[C@@H]1c2ccsc2CCN1C(=O)CCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 32823536 XSCGBKJKXGNWHQ-CQSZACIVSA-N 419.510 3.249 0 40 HGAB COc1cc(OC)c(N2C[C@H](C(=O)N3CCc4ccccc4C3)CC2=O)cc1Cl 32975412 SNBFAUNGKWFXBP-MRXNPFEDSA-N 414.889 3.295 0 40 HGAB CC(=O)Nc1cccc(NC(=O)CSc2nnc3c(n2)[nH]c2ccc(F)cc23)c1 35290937 BWCOXAASOYSKCU-UHFFFAOYSA-N 410.434 3.334 0 40 HGAB CNC(=O)Cc1csc(NC(=O)c2csc(Nc3cc(C)ccc3OC)n2)n1 38511953 JEJFTHRDEZJVHX-UHFFFAOYSA-N 417.516 3.201 0 40 HGAB CC(=O)N1CCC(NC(=O)Nc2ccc(Br)cc2Br)CC1 40098228 PXXJCWCPWYFZCA-UHFFFAOYSA-N 419.117 3.344 0 40 HGAB CCN(C(=O)CS(=O)(=O)Cc1cc(Cl)c2c(c1)OCCCO2)c1ccccc1 40106132 NVEFHRJOLBTXLX-UHFFFAOYSA-N 423.918 3.469 0 40 HGAB COC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)c2c(F)cccc2Cl)cc1 40160006 QPYXBKDQIIOGKN-LLVKDONJSA-N 400.859 3.045 0 40 HGAB Cc1cccc(C)c1N1C(=O)C[C@]2(CC(c3cccc(Br)n3)=NO2)C1=O 44920220 LYIYHQGKQIHDKP-LJQANCHMSA-N 414.259 3.288 0 40 HGAB CSc1ncc(C(=O)NCCCCN2C[C@@H](C)O[C@H](C)C2)n1-c1ccccc1 48355738 LJYDFLFZUYACKS-IAGOWNOFSA-N 402.564 3.213 0 40 HGAB O=C(C1=NN(Cc2ccccc2F)c2ccccc2S1(=O)=O)N1CCCCCC1 49402580 KXNUNHFJRFVUKH-UHFFFAOYSA-N 415.490 3.336 0 40 HGAB CNC(=O)c1ccc(Cl)cc1NC(=O)c1ccc(Cl)c(S(C)(=O)=O)c1 58418829 YRYMKSHVSHKQDU-UHFFFAOYSA-N 401.271 3.009 0 40 HGAB CCCNC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(C)cc2)c2cc(Cl)ccc2O1 64986186 NUCHYWCMVDAOEQ-SFHVURJKSA-N 408.907 3.131 0 40 HGAB CC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C/C=C\C(=O)O)[C@H]21 67665323 ZUPFYFUSMUSEPD-RWJFMXGHSA-N 406.519 3.246 0 40 HGAB in-vitro Cc1sc2nc(CN3CCC(C)CC3)nc(N3CCNC(=O)C[C@@H]3C)c2c1C 71889392 LIBDHKMYENUXLG-AWEZNQCLSA-N 401.580 3.255 0 40 HGAB O=S(=O)(c1cc(F)cc(F)c1)N1CCC(c2cc(Nc3ccccn3)[nH]n2)CC1 72360774 SMMZRHMTKJXEJG-UHFFFAOYSA-N 419.457 3.395 0 40 HGAB COc1ccc(CCn2cc(C(=O)NCCn3cccc3)c3ccccc3c2=O)cc1 72402410 MHLYMVDZWBLJJG-UHFFFAOYSA-N 415.493 3.484 0 40 HGAB Cc1ccc(S(=O)(=O)NCCC(=O)OC[C@H]2CCN(c3ccccc3)C2)cc1C 84180895 RHZFQXRZTVIEOW-IBGZPJMESA-N 416.543 3.042 0 40 HGAB C[C@H](C(=O)NCCCc1nnc2ccccn12)c1ccc(C[C@@H]2CCCC2=O)cc1 95478583 XUGXHTRJONRJDG-PXNSSMCTSA-N 404.514 3.494 0 40 HGAB Brc1ccc2c(I)nn([C@H]3CCCCO3)c2n1 95631022 UBBUPTPKYKJAFY-SECBINFHSA-N 408.037 3.498 0 40 HGAB O=C(C[C@@H]1CC2(CCN(C(=O)c3ccnnc3)CC2)c2ccccc21)NC1CCC1 96052777 KJNOAIVNZAQPNW-GOSISDBHSA-N 404.514 3.197 0 40 HGAB CCC1=NC2(CCC(C(=O)Nc3ccc4c(c3)OCCO4)CC2)C(=O)N1CC1CC1 96261381 ZLOCXGCPDXFOBG-UHFFFAOYSA-N 411.502 3.386 0 40 HGAB COc1cc(/C=c2/sc3nc4ccccc4n3c2=O)ccc1OCc1ccncc1 98087022 XFDHUVYMASTQAB-FYJGNVAPSA-N 415.474 3.440 0 40 HGAB O=C(CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)N1CCC(c2nc3ccccc3s2)CC1 101099647 WSKDBAKKGWVQQO-IAGOWNOFSA-N 423.538 3.344 0 40 HGAB C[C@@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCC1)[C@H]1C[C@H]2CC[C@H]1C2 103442121 DKAISZHYNUYTJS-VUHPKUFZSA-N 419.591 3.092 0 40 HGAB O=C(CCCC(=O)N1CCN(c2cccc(Cl)c2)CC1)NC[C@H]1C[C@@H]2C=C[C@@H]1C2 169680688 CINBZKSZUDJVRV-GUDVDZBRSA-N 415.965 3.487 0 40 HGAB CCc1cccc(C)c1NC(=O)[C@H](C)N(c1ccc(OC)c(OC)c1)S(C)(=O)=O 220234683 FRXFWJVDXRXSLT-HNNXBMFYSA-N 420.531 3.368 0 40 HGAB C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](Cc2nc(-c3ccsc3)no2)C1 220919424 QGDXIPXOHJNHPM-ZIAGYGMSSA-N 420.535 3.492 0 40 HGAB Cc1c(C(=O)Nc2ccccc2C(=O)NCC(C)C)cccc1N(C)S(C)(=O)=O 222432351 GABPWEWKQCXPFE-UHFFFAOYSA-N 417.531 3.029 0 40 HGAB COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)N[C@@H]1CCCc2ccccc21 222669267 ZECMROIRZNRITF-HXUWFJFHSA-N 416.543 3.072 0 40 HGAB C[C@H](NC(=O)CN(c1ccc(F)cc1F)S(C)(=O)=O)c1ccc2c(c1)CCCC2 222984263 BTGBKAVHJNOMMT-AWEZNQCLSA-N 422.497 3.487 0 40 HGAB COc1ccc(CCNC(=O)[C@@H](C)N(Cc2ccc(OC)cc2)C(=O)C(C)C)cc1 222985560 HCSQWVCNVZIFBJ-GOSISDBHSA-N 412.530 3.436 0 40 HGAB Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)NCc3ccc(Cl)cc3)s2)cc1 223341945 SXJJIFRDHJQHGR-UHFFFAOYSA-N 422.919 3.231 0 40 HGAB Cn1nc(-c2ccc(F)cc2)cc1C(=O)NCC1CCN([C@@H]2CCSC2)CC1 225571966 YFRDRNNBRAXUBC-GOSISDBHSA-N 402.539 3.174 0 40 HGAB O=S(=O)(NCC1CCN([C@@H]2CCSC2)CC1)c1ccc(OC(F)(F)F)cc1 225574157 PJURXXKJXGNCQE-CQSZACIVSA-N 424.510 3.081 0 40 HGAB NC(=O)C[C@H]1CN(C(=O)CCc2ccccc2F)CC[C@@H]1Oc1ccc(F)cc1 257245283 IOVCKKUSZCJESS-JXFKEZNVSA-N 402.441 3.069 0 40 HGAB COC(=O)C1CCN(C(=O)C2(Cc3ccc(-c4cccnc4)cc3)CCOCC2)CC1 257265708 LZYKULHEXSEDKB-UHFFFAOYSA-N 422.525 3.500 0 40 HGAB COc1cc(C)cc(OC)c1CN1CC[C@@]2(COCc3cnc(NC4CC4)nc32)C1 306128474 HBBMGZQFFWTMNM-QHCPKHFHSA-N 410.518 3.050 0 40 HGAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccccc3OC)C2)cc1 408561410 SCZXXISDDXICRY-MRXNPFEDSA-N 418.515 3.133 0 40 HGAB O=C(Cn1cc(C(=O)C(=O)N2CCCC2)c2ccccc21)NCc1ccccc1Cl 408577392 ZEHJNHOUYJMPTC-UHFFFAOYSA-N 423.900 3.416 0 40 HGAB CSc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NC[C@H]3CCCO3)cc2)cc1 408703517 RSSSMVPILRAZSR-QGZVFWFLSA-N 420.556 3.142 0 40 HGAB COCCn1c(Cc2ccccc2)nnc1SCC(=O)N1[C@H](C)CCC[C@H]1C 409120399 VMKOVNFEFAUMOZ-IAGOWNOFSA-N 402.564 3.397 0 40 HGAB CCCCNC(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(C)cc1 409129122 KDCBNAZZTJWVKL-UHFFFAOYSA-N 420.531 3.124 0 40 HGAB CNS(=O)(=O)c1cccc([C@H](C)Nc2ccc(C)c(-c3nnnn3C3CC3)c2)c1 542487917 CPFXGJQLCWWIAH-AWEZNQCLSA-N 412.519 3.065 0 40 HGAB C[C@]1(c2cccc(C(=O)N3C[C@H](c4ccccc4)[C@@H]4CCC[C@@H]43)c2)NC(=O)NC1=O 553296747 OZNQJQIIBQFNOP-CMCWBKRRSA-N 403.482 3.150 0 40 HGAB Cc1ccc(C(=O)N2CCC3(CC2)CO[C@@H](CN(C)[C@H]2CC[C@H](O)CC2)C3)cc1F 585104607 RJTNYKKYGPPIDW-NJDAHSKKSA-N 418.553 3.381 0 40 HGAB Cc1cc(Nc2ncc(C)s2)nc(C2CCN(C(=O)[C@]3(C)CCCN3)CC2)n1 585263488 MRSCCZATIQAHHD-FQEVSTJZSA-N 400.552 3.142 0 40 HGAB Cc1ccc(OC[C@@]2(O)CN(C[C@]3(O)CC[C@@H](C(C)(C)C)CC3)CC[C@@H]2O)cc1 585287336 MTJNYCJSDNEDTE-SJROBZAFSA-N 405.579 3.139 0 40 HGAB CC(C)N1CCN(c2cccc(NC(=O)C(=O)Nc3cccc4ccncc34)c2)CC1 682309226 WUFJGBHNOIFHPI-UHFFFAOYSA-N 417.513 3.342 0 40 HGAB COc1ncc(CN2CC[C@H]3[C@H](CC(=O)N(C)Cc4ccccc4)OC[C@H]3C2)cc1C 1565551370 PPZWFETXVKILRD-ZLNRFVROSA-N 423.557 3.284 0 40 HGAB C=CC(=O)Nc1ccc(C(=O)N2CCC[C@H](c3ncc(Br)cn3)C2)cc1 1595582033 AJMOWQUUTSJDKQ-AWEZNQCLSA-N 415.291 3.383 0 40 HGAB O=C1CC2(CCN(Cc3cncn3Cc3ccccc3)CC2)Nc2ccccc2CN1 2037981036 RHMNPVXKZVZHKE-UHFFFAOYSA-N 415.541 3.398 0 40 HGAB Cc1nn2c(=O)c3c4c(sc3nc2n(-c2ccccc2)c1=O)CSC(C)(C)C4 1277697 KUQILELXIFSEHQ-UHFFFAOYSA-N 410.524 3.331 0 40 HGAB COC[C@H](C)n1c(C)cc(C(=O)COC(=O)c2ccc(N3CCCC3=O)cc2)c1C 2657268 YIEFBZLXNUAEBU-INIZCTEOSA-N 412.486 3.479 0 40 HGAB O=C(Cn1c(=O)n(Cc2ccccc2)c(=O)c2ccccc21)NCCC1=CCCCC1 2713057 JWBBDZPVKHOUBI-UHFFFAOYSA-N 417.509 3.218 0 40 HGAB CC(C)C[C@H](NS(=O)(=O)c1cccc2nsnc12)C(=O)Nc1cccc(F)c1 3219620 DSGUTHSHTCQMCE-HNNXBMFYSA-N 422.507 3.162 0 40 HGAB COc1cccc(N(C)C(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)n1 3371422 DUSPPNJUTZYZRQ-UHFFFAOYSA-N 400.438 3.125 0 40 HGAB COc1cc(/C=C/C(=O)OCC(=O)N[C@@H](C)c2ccc(F)cc2)cc(OC)c1OC 3415284 RATCPCIBBRYNTC-SEIPJRMCSA-N 417.433 3.285 0 40 HGAB COc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)OCC(=O)N(C)C)cc1 3416478 RQCQENRWRZVSQB-SDNWHVSQSA-N 405.454 3.193 0 40 HGAB COc1cccc(-c2nnc(SCC(=O)N3CCCC3=O)n2-c2ccccc2)c1 3427032 AEWXILWUDOSDTG-UHFFFAOYSA-N 408.483 3.184 0 40 HGAB O=C(CN(C(=O)c1csnn1)c1ccc(Br)cc1)NC1CCCC1 4964785 VNZSYZQBIBACJU-UHFFFAOYSA-N 409.309 3.006 0 40 HGAB COc1ccc(Cl)cc1N(CC(=O)NC(C)(C)C)S(=O)(=O)c1ccccc1 4995442 GELJKDQBHGVGKU-UHFFFAOYSA-N 410.923 3.459 0 40 HGAB CC(C)c1ccc(CN(C(=O)COc2ccccc2)[C@H]2CCS(=O)(=O)C2)cc1 5119891 RBCWBLAHTKDORK-FQEVSTJZSA-N 401.528 3.405 0 40 HGAB COc1ccc(CCN[C@H](CC(=O)Nc2cccc(C(F)(F)F)c2)C(=O)O)cc1 5258050 FDJMBCKSFGHYSR-QGZVFWFLSA-N 410.392 3.328 0 40 HGAB Cn1c(=O)c2c(-c3ccc(Cl)cc3)n3c(c2n(C)c1=O)[C@@H](c1ccco1)OCC3 5347646 ODZJBVPFDIQLSD-LJQANCHMSA-N 411.845 3.072 0 40 HGAB CCOc1cc(/C=C2\N=C(C)OC2=O)cc(I)c1OCC 5399157 RCGVQPHDWIHASB-GHXNOFRVSA-N 401.200 3.405 0 40 HGAB COc1ccc(N(CC(=O)NC2CCCCC2)S(=O)(=O)c2ccccc2)cc1 6181947 FUAJOXHUJWWMPL-UHFFFAOYSA-N 402.516 3.339 0 40 HGAB CCOc1ccc(NS(=O)(=O)c2csc(C(=O)Nc3cc(C)on3)c2)cc1 6681814 OHDHTCMWEOPKLB-UHFFFAOYSA-N 407.473 3.496 0 40 HGAB O=C(Nc1nnc(S(=O)(=O)N2CCCCC2)s1)c1cccc2ccccc12 6817773 JAHRREVOFVYRDC-UHFFFAOYSA-N 402.501 3.118 0 40 HGAB O=S(=O)(/C=C/c1ccccc1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 7055032 RKGVULYCTWZUFI-NTCAYCPXSA-N 406.529 3.274 0 40 HGAB CC(C)[C@H](NC(=O)CCCN1C(=O)c2ccccc2C1=O)c1ccc2c(c1)OCCO2 8124431 WCRLYBJASSFDHD-QFIPXVFZSA-N 422.481 3.348 0 40 HGAB COc1cc(C(=O)OCC(=O)Nc2ccc3c(c2)OCCCO3)ccc1OC(F)F 8853920 JTYQZFBNLHTMPF-UHFFFAOYSA-N 423.368 3.253 0 40 HGAB Nn1c(Cc2cccc3ccccc23)nnc1SCC(=O)NCCc1cccs1 9725632 TYUFRBSQROCYNF-UHFFFAOYSA-N 423.567 3.248 0 40 HGAB COc1ccc(-c2nnc(SCC(=O)Nc3ccccc3C(=O)NC3CC3)o2)cc1 9765033 CIYPMUZIMWSQTG-UHFFFAOYSA-N 424.482 3.368 0 40 HGAB COc1ccc(N(C(=O)c2ccc(Br)cc2)[C@H]2C=CS(=O)(=O)C2)cc1 9833886 JRZDLSVGWCITMP-INIZCTEOSA-N 422.300 3.415 0 40 HGAB COc1ccc(Cn2nnnc2SCC(=O)Nc2ccc(N3CCCC3)cc2)cc1 9847208 OIFSAMQBCLDEEM-UHFFFAOYSA-N 424.530 3.061 0 40 HGAB CCn1c(=O)c(=O)[nH]c2cc(C(=O)Nc3nc(-c4ccc(C)s4)cs3)ccc21 11513057 ZCQKPWWCZOFMBC-UHFFFAOYSA-N 412.496 3.455 0 40 HGAB CCOc1ccc(NC(=O)c2ccc3[nH]cnc3c2)cc1S(=O)(=O)N(CC)CC 11547285 APWBNBGUUAVTEF-UHFFFAOYSA-N 416.503 3.244 0 40 HGAB C[C@@H](NC(=O)Cc1cccc2ccccc12)C(=O)NCc1cnn(-c2ccccc2)c1 11563664 MIUASWIQGMDATB-GOSISDBHSA-N 412.493 3.389 0 40 HGAB COc1ccc(CNC(=O)C[C@@H]2CCCCN2S(=O)(=O)c2ccc(F)cc2)cc1 11612854 IJRWYWTUKICWQD-SFHVURJKSA-N 420.506 3.084 0 40 HGAB O=C(Nc1nonc1-c1ccc(Br)cc1)[C@H]1COc2ccccc2O1 11917306 FJNVWZLUGAYOOS-CQSZACIVSA-N 402.204 3.278 0 40 HGAB COc1ccccc1C1(NC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)CCCC1 12143081 OTYKRYJOZBDEJQ-UHFFFAOYSA-N 414.527 3.217 0 40 HGAB Cc1nn(-c2ccc(F)cc2)c2[nH]c(=O)c(CNC[C@H]3Cc4ccccc4O3)cc12 12186197 KDCSJSDHTWCQRG-LJQANCHMSA-N 404.445 3.255 0 40 HGAB CCc1cc(O)n2nc([C@@H]3CCCCN3S(=O)(=O)c3ccc(F)cc3)cc2n1 12276481 XLDQUWSRTPOXDU-KRWDZBQOSA-N 404.467 3.052 0 40 HGAB COc1ccc(-n2ccnc(SCC(=O)c3ccc(OC)c(OC)c3)c2=O)cc1 12415281 AYIZPUURKAZGOM-UHFFFAOYSA-N 412.467 3.233 0 40 HGAB CC1(C)Cc2cccc(OCC(=O)O[C@H](C(=O)NC3CC3)c3ccc(F)cc3)c2O1 12470695 QXYBKTVNVIIKAO-NRFANRHFSA-N 413.445 3.481 0 40 HGAB CCCCn1nnnc1CSc1nnc(-c2ccncc2)n1Cc1ccccc1 12568169 FRPCONGAGUZKND-UHFFFAOYSA-N 406.519 3.467 0 40 HGAB C[C@@H]1CCCN(Cc2csc(NC(=O)CNC(=O)c3ccccc3Cl)n2)C1 12810232 XMXOGIRBSBKFED-CYBMUJFWSA-N 406.939 3.397 0 40 HGAB COc1ccccc1CCNC(=O)NCC(=O)Nc1ccc(Br)cc1C 12817498 DQDABPQWNRHCAR-UHFFFAOYSA-N 420.307 3.247 0 40 HGAB Cc1ccc(OCCNC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)cc1 12916302 NXUYFRQPFVTQBB-UHFFFAOYSA-N 424.522 3.282 0 40 HGAB CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)C(C)(C)C)CC3)cc1 13696467 KXJKMDTYPQYJER-UHFFFAOYSA-N 415.515 3.381 0 40 HGAB CCOC(=O)c1ccccc1NC(=O)[C@H](CC)N(c1ccccc1)S(C)(=O)=O 13711087 HGFYLIWTXWPRAI-SFHVURJKSA-N 404.488 3.047 0 40 HGAB COCCc1ccc(-c2csc(NC(=O)c3ccc(CNC(N)=O)cc3)n2)cc1 14114947 LAODPFDAQUJFEL-UHFFFAOYSA-N 410.499 3.420 0 40 HGAB Cc1nn(-c2ccc(F)cc2)c(C)c1/C=C/C(=O)N1CCN(C(=O)c2ccco2)CC1 14185198 YVJJFJCMQCSTFD-MDZDMXLPSA-N 422.460 3.219 0 40 HGAB C[C@H]1CC(=O)N(c2cccc(C(=O)N3CCCC[C@@H]3CN3CCCCCC3)c2)C1=O 19462364 JAHWVVIIDSJTOM-GHTZIAJQSA-N 411.546 3.457 0 40 HGAB Cc1noc(-c2cnc(N(C)C)nc2[C@H]2CCCN2C(=O)Cc2ccccn2)c1C 19558471 MPAXPBQDECPXHN-GOSISDBHSA-N 406.490 3.116 0 40 HGAB Cc1nc([C@H]2CCCCN2C(=O)COc2cccc(C(F)(F)F)c2)ncc1C(N)=O 19764632 VPKBUTOMXGXZCS-MRXNPFEDSA-N 422.407 3.035 0 40 HGAB CCN(CC(=O)Nc1ccc(F)cc1F)S(=O)(=O)c1ccc(OC)c(Cl)c1 19930170 JOVUZJLWKXPCND-UHFFFAOYSA-N 418.849 3.276 0 40 HGAB CC(C)(C)c1ccc(S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 19943515 RMOYDUCLTLWKCI-UHFFFAOYSA-N 416.543 3.219 0 40 HGAB OCc1cccc(OCCN2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c1 20366427 WCOOZJZMDZIYIT-UHFFFAOYSA-N 415.843 3.447 0 40 HGAB COc1ccc(C(=O)Nc2nc(-c3nnn(-c4cccc(OC)c4)c3C)ns2)cc1 20597799 LGTRICFNHINULC-UHFFFAOYSA-N 422.470 3.364 0 40 HGAB C[C@@H](NCC1(N2CCOCC2)CCCCC1)C(=O)Nc1ccc(OC(F)F)cc1 22930452 QZHALJMTSGDTLW-MRXNPFEDSA-N 411.493 3.240 0 40 HGAB COC(=O)C1CCN([C@@H](c2cccc(Cl)c2)c2sc3nc(C)nn3c2O)CC1 23157721 QCUUVFYELSVAFH-HNNXBMFYSA-N 420.922 3.433 0 40 HGAB Cc1cc(C)n(CCCNC(=O)[C@H](Cc2ccccc2)NC(=O)c2cccs2)n1 23246365 LPSOVEPJUFTZKC-IBGZPJMESA-N 410.543 3.109 0 40 HGAB Cc1nc(C2(NC(=O)[C@@H]3CCCN(C(=O)c4ccc(F)cc4)C3)CCCCC2)no1 23508539 JEGGESNVFPHBMR-QGZVFWFLSA-N 414.481 3.345 0 40 HGAB CS(=O)(=O)N1CCC(C(=O)OCc2csc(-c3ccccc3Cl)n2)CC1 24119014 TWHCZIBMUIHTSK-UHFFFAOYSA-N 414.936 3.178 0 40 HGAB CCCc1nnc(NC(=O)CN2CCN(c3cccc(C(F)(F)F)c3)CC2)s1 25766288 DBYJJNGMBKFZJX-UHFFFAOYSA-N 413.469 3.270 0 40 HGAB CCCCCOc1ccc(S(=O)(=O)NCCCN2CCOCC2)c2ccccc12 28251964 FQWNEPRJUBKVSH-UHFFFAOYSA-N 420.575 3.409 0 40 HGAB Cc1ccc(C)c(N2C(SCCOc3ccccc3)=N[C@H]3CS(=O)(=O)C[C@H]32)c1 32640637 XSUXFQQMXTVMFK-AZUAARDMSA-N 416.568 3.457 0 40 HGAB O=S1(=O)C[C@H]2N=C(SCCOc3ccccc3)N(c3cccc(Cl)c3)[C@H]2C1 32640664 LRIAGPKHALRGHN-MSOLQXFVSA-N 422.959 3.494 0 40 HGAB COC(=O)c1sccc1S(=O)(=O)N[C@H](C)c1cnn(-c2ccc(F)cc2)c1C 32808829 YHKXIBUISVDDNF-LLVKDONJSA-N 423.491 3.207 0 40 HGAB CNS(=O)(=O)c1ccc(C(=O)NCc2ccc(Oc3ccc(F)cc3)cc2)o1 32822491 OTZZLFBXONFNPN-UHFFFAOYSA-N 404.419 3.049 0 40 HGAB Cc1nc(COc2cccc(C(=O)N3Cc4ccccc4C[C@H]3C(N)=O)c2)cs1 32836827 FMZFUXNDKCLZMA-FQEVSTJZSA-N 407.495 3.083 0 40 HGAB COc1cccc2cc(C(=O)N3CCN(c4cc(N5CCCCC5)ncn4)CC3)oc12 38488371 SOVGJWCKZWJPRC-UHFFFAOYSA-N 421.501 3.184 0 40 HGAB C[C@@H]1CCCN(Cc2ccccc2CNC(=O)CCN2C(=O)c3ccccc3C2=O)C1 40112264 NPJPNSXYESBKAI-GOSISDBHSA-N 419.525 3.221 0 40 HGAB NC(=O)c1cc(NC(=O)Cn2c(=O)n(C3=CCCCC3)c3ccccc32)ccc1F 40133514 QTJVHQPQYJVWCX-UHFFFAOYSA-N 408.433 3.095 0 40 HGAB O=C(Nc1nnc(SCCN2CCOCC2)s1)C1(c2cccs2)CCCC1 42379325 QSFBUHOEPNYCDB-UHFFFAOYSA-N 424.617 3.474 0 40 HGAB O=C(Nc1ccccc1F)[C@@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 44899884 PJMAPVKHKBXLBU-GOSISDBHSA-N 404.507 3.439 0 40 HGAB COc1ccccc1CN(C)C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1 52956552 BIYNDRNTIYJURP-LJQANCHMSA-N 416.543 3.063 0 40 HGAB O=C(CN1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1)c1c[nH]c2ccccc12 57350892 FCCPPARLVFZNRO-UHFFFAOYSA-N 405.454 3.430 0 40 HGAB CCN(C(=O)c1[nH]c2ccc(Br)cc2c1Cl)[C@@H]1CCS(=O)(=O)C1 65523640 GRSNVCLXGRUPQR-SNVBAGLBSA-N 419.728 3.233 0 40 HGAB Cn1cnc(S(=O)(=O)N2CCC(c3cccc(Cc4ccccc4F)n3)CC2)c1 72350336 NSVBNFAULRSBFE-UHFFFAOYSA-N 414.506 3.113 0 40 HGAB C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)N1CCC(c3c[nH]c4ccccc34)CC1)C2=O 95348581 GSRQKPJMYGICAF-VOIUYBSRSA-N 422.529 3.375 0 40 HGAB CCOC(=O)c1cc(I)sc1I 96190423 LMLONHFJUPNQGO-UHFFFAOYSA-N 407.998 3.134 0 40 HGAB Cc1noc(C)c1CN1CCC[C@]2(CCN(S(=O)(=O)Cc3ccccc3)C2)C1 96216013 DRSRSVPPOAKGDD-NRFANRHFSA-N 403.548 3.109 0 40 HGAB O=C(C[C@H]1CC2(CCN(S(=O)(=O)C3CC3)CC2)c2ccccc21)NC1CCC1 96242162 VLXRBQYLCKNORY-INIZCTEOSA-N 402.560 3.059 0 40 HGAB Cc1ncccc1NC(=O)[C@@H]1Cn2ccnc2C2(CCN(CC3CCCC3)CC2)O1 96243883 KMRAYBVXDWAUHF-FQEVSTJZSA-N 409.534 3.105 0 40 HGAB O=C(COC(=O)c1ccc(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)cc1)c1ccc(F)cc1 101226749 ZJGXHDUJFOGEAC-LRGYGIHKSA-N 421.424 3.401 0 40 HGAB COc1ccc(NC(=O)CSc2nc(=O)cc(O)n2C2CCCC2)cc1Cl 102796618 PLXXOKADBQCTHJ-UHFFFAOYSA-N 409.895 3.457 0 40 HGAB O=S(=O)(NCc1ccc([C@@H](O)c2ccccc2)s1)c1ccc2c(c1)OCCO2 207971603 HKJBBIBGLQNFRB-FQEVSTJZSA-N 417.508 3.080 0 40 HGAB CCOC(=O)c1cccc(N(CC)S(=O)(=O)c2ccc(NC(C)=O)cc2)c1C 224903451 PJPLHTONEJXNDP-UHFFFAOYSA-N 404.488 3.345 0 40 HGAB COc1ccccc1[C@H](C)NC(=O)CCCN(c1ccccc1C)S(C)(=O)=O 225562252 JPTRSJFEBHPVOM-KRWDZBQOSA-N 404.532 3.427 0 40 HGAB Cc1ccc(C)c(S(=O)(=O)N(C)CC(=O)N2CCC(Cc3ccccc3)CC2)c1 225930533 WKADCPVYUDOLAB-UHFFFAOYSA-N 414.571 3.405 0 40 HGAB S=C(NCc1ccc2c(c1)OCO2)Nc1nc(Cl)cc(N2CCCCC2)n1 226013749 FOJXHJLZKFDBKQ-UHFFFAOYSA-N 405.911 3.336 0 40 HGAB Cc1cccc(CC(=O)N2CCC[C@@H]2CN2Cc3ccccc3OC[C@H]2CN(C)C)c1 248102758 IBKPXISGUJYBEX-DNQXCXABSA-N 421.585 3.353 0 40 HGAB COc1ccccc1CNC(=O)[C@@H]1C[C@H]2CC[C@H]1C[C@@]21NC(=O)c2ccccc2O1 248116651 BOIGXBXCILJVCI-KTPJXYJSSA-N 406.482 3.266 0 40 HGAB NC(=O)c1cccc(-c2cccc([C@H]3CN(C(=O)c4ccc(F)cc4)CCO3)n2)c1 257244718 IMMRMZSCLSRTTJ-OAQYLSRUSA-N 405.429 3.200 0 40 HGAB CCOc1ccc(CCC(=O)N2CC[C@H](c3nc(C)c4c(n3)N(C)C(=O)CC4)C2)cc1 257291567 QHOISQIHLCMASA-SFHVURJKSA-N 422.529 3.041 0 40 HGAB COc1cc2c(=O)c(-c3ccc(OC(C)=O)cc3)coc2cc1OC(=O)[C@H](C)OC 263583660 RXMMTFWMVLPISI-LBPRGKRZSA-N 412.394 3.334 0 40 HGAB Cc1nc2c(n1C(C)C)CN(Cc1cccs1)CC21CCN(S(C)(=O)=O)CC1 306137850 RIFOIOHLTQWTOS-UHFFFAOYSA-N 422.620 3.143 0 40 HGAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)NC[C@@H]3CCCO3)ccc2Cl)c1 408545412 LGOFWGDAOAGKHV-INIZCTEOSA-N 408.907 3.358 0 40 HGAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@H](C)CCc2ccccc2)cc1C 408602762 FPBCYDFUWUTWGO-MSOLQXFVSA-N 418.559 3.198 0 40 HGAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@H](C)CC)C2)cc1Cl 408626231 VDCJBQGYIJGMEN-ZIAGYGMSSA-N 402.944 3.054 0 40 HGAB CCCC[C@H](C(=O)OCC(=O)Nc1ccccc1OC)N1C(=O)c2ccccc2C1=O 408657232 GZTVGEJSYZBKRU-GOSISDBHSA-N 424.453 3.032 0 40 HGAB O=C(c1cc2cc(NS(=O)(=O)c3ccc(F)cc3)ccc2s1)N1CCOCC1 408712964 DMWRRIBBVXGKQN-UHFFFAOYSA-N 420.487 3.314 0 40 HGAB CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)C)N3CCCCC3)cc2c1 782695 XHOMJLJCIOAPED-IBGZPJMESA-N 410.522 3.244 0 40 HGAB COc1ccc(CNC(=O)CSc2nnc(-c3cc(OC)cc(OC)c3)o2)cc1 929524 XOZBXGDMIJUKKP-UHFFFAOYSA-N 415.471 3.171 0 40 HGAB CCOc1ccccc1N1C[C@@H](C(=O)OCC(=O)Nc2ccc(Cl)cc2)CC1=O 1289473 LSBRMDPZTNGCNI-AWEZNQCLSA-N 416.861 3.274 0 40 HGAB CCCCOC(=O)[C@H]1[C@H]2C=C[C@]3(CN(c4ccc(Br)cc4)C(=O)[C@H]13)O2 2145870 RCQLXQWILYUYGW-PASDCYSWSA-N 406.276 3.079 0 40 HGAB biogenic CCOC(=O)c1cccc(C(=O)c2cccc(CN3CCC4(CC3)OCCO4)c2)c1 2515224 AYEOMNMHLAPYHS-UHFFFAOYSA-N 409.482 3.433 0 40 HGAB CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)NC[C@@H](c1ccccc1)N(C)C 3290520 JTVNYAMWDNPQQZ-ICSRJNTNSA-N 403.473 3.138 0 40 HGAB CCCCNC(=O)CSc1nnc2n(-c3ccccc3)c(=O)c3ccccc3n12 3295578 YGSNBZPVLVDECB-UHFFFAOYSA-N 407.499 3.042 0 40 HGAB Cc1c(NC(=O)COC(=O)c2c(F)cccc2Cl)c(=O)n(-c2ccccc2)n1C 3314685 QCNWCSMRPLTLGW-UHFFFAOYSA-N 417.824 3.072 0 40 HGAB O=C(COC(=O)[C@H]1COc2ccccc2O1)Nc1ccccc1C(=O)c1ccccc1 3355474 MOTZPSGWSSLNML-OAQYLSRUSA-N 417.417 3.239 0 40 HGAB Cc1ccc2cc(CN(CCN(C)C)C(=S)NCc3ccco3)c(=O)[nH]c2c1C 4133495 GODWGKMXXYDUFX-UHFFFAOYSA-N 412.559 3.176 0 40 HGAB CCCCOc1ccc(NC(=O)[C@H]2O[C@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@@H]23)cc1 4177258 BCTINLARZZWKRE-QTVCLEQKSA-N 421.490 3.201 0 40 HGAB CCCCn1c(=O)c2c(nc3n2CCCCN3c2ccc(OCC)cc2)n(C)c1=O 4370614 FEJAGJKSSXUBLH-UHFFFAOYSA-N 411.506 3.027 0 40 HGAB Cc1cn2c3c(=O)n(Cc4ccc(F)cc4)c(=O)n(C)c3nc2n1C1CCCCC1 4386373 RIRCJTBBSAEXAF-UHFFFAOYSA-N 409.465 3.150 0 40 HGAB O=C(NC1CCN(C(=S)NCc2ccco2)CC1)NC12CC3CC(CC(C3)C1)C2 4909990 GHUISFKMRAOBHD-UHFFFAOYSA-N 416.591 3.387 0 40 HGAB Cn1c(=O)c2c(-c3ccccc3)n3c(c2n(C)c1=O)[C@@H](c1ccco1)OCC3(C)C 5345726 PBEIFZTZOYGXTQ-HXUWFJFHSA-N 405.454 3.153 0 40 HGAB COc1ccc(NC(=O)COC(=O)[C@H](C)Oc2ccc(Br)cc2)cc1 5626955 YXESYOHOZDLONT-LBPRGKRZSA-N 408.248 3.407 0 40 HGAB Cc1cccc(CS(=O)(=O)c2ncc(Cl)c(C(=O)NCc3ccccc3)n2)c1 6748172 XSEAPCYEIZZORP-UHFFFAOYSA-N 415.902 3.342 0 40 HGAB CS(=O)(=O)N1CCc2cc(C(=O)COc3ccc(Cl)c4cccnc34)ccc21 6881781 AYZNDRPQAXLMHC-UHFFFAOYSA-N 416.886 3.472 0 40 HGAB CS(=O)(=O)c1ccc(C(=O)N(Cc2ccc3c(c2)OCO3)C2CCCC2)cc1 7719241 QLOSHXSLHGTZNW-UHFFFAOYSA-N 401.484 3.404 0 40 HGAB COC(=O)c1ccc(C)c(NC(=O)[C@@H]2CS[C@]3(c4ccccc4)CCC(=O)N23)c1 7801328 CRFUYNQMYWJNON-AVRDEDQJSA-N 410.495 3.311 0 40 HGAB COc1ccc(CN(C)C(=O)[C@@H](C)N(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 7871834 WNFDAGHXNHHAMU-QGZVFWFLSA-N 404.532 3.125 0 40 HGAB CCNc1ccc(S(=O)(=O)N(C)C)cc1NCC(=O)Nc1c(C)cccc1CC 7978552 VMGMZAMAPFJJJL-UHFFFAOYSA-N 418.563 3.290 0 40 HGAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1C 8481168 ZXHBCOLOVJOICY-KRWDZBQOSA-N 402.516 3.494 0 40 HGAB Cc1ccc(NC(=O)CSc2nc(=O)n(Cc3cccnc3)c3c2CCC3)cc1F 8601772 MYVIMFDNAIFWNN-UHFFFAOYSA-N 424.501 3.354 0 40 HGAB O=C(CN1C(=O)N[C@@]2(CCCCc3ccccc32)C1=O)Nc1ccc2c(c1)CCC2 8772454 FSEKTLJWYKGVAL-XMMPIXPASA-N 403.482 3.288 0 40 HGAB CC(C)OCCCNS(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2)c(F)c1 8810907 BKOYUVKUICQJCG-UHFFFAOYSA-N 412.458 3.311 0 40 HGAB CN1C(=O)N(C)C(=O)C2(Cc3cccc(F)c3N3[C@H]4CC(C)(C)C[C@](C)(C4)[C@H]32)C1=O 9060839 DQPHCGCUOUCMGY-JKXTWKSPSA-N 413.493 3.192 0 40 HGAB CCCN(CCC)C(=O)[C@@H]1Sc2nnc(C)n2N[C@@H]1c1ccc(OCC)cc1 9239016 LERNXZKFPGBHOC-QZTJIDSGSA-N 403.552 3.393 0 40 HGAB COc1cccc2cc(-c3nnc(SCC(=O)Nc4nnc(C)s4)n3C)oc12 9302426 MFLCILZGTKVTFT-UHFFFAOYSA-N 416.488 3.128 0 40 HGAB COc1ccc(NC(=O)C2(c3ccccc3)CCCC2)cc1S(=O)(=O)N(C)C 9609919 MGLAQXPPYGYLAR-UHFFFAOYSA-N 402.516 3.396 0 40 HGAB Cc1nc2ncnn2c(C)c1CCC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 9690102 HMYHHDHDUBJQHI-IBGZPJMESA-N 421.501 3.199 0 40 HGAB CS(=O)(=O)Nc1ccc(F)c(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1 9704485 HXGVOYMQCBTWIH-UHFFFAOYSA-N 412.386 3.017 0 40 HGAB Oc1nnc(-c2ccco2)c2c1Nc1nnnn1[C@H]2c1ccc(Cl)cc1Cl 10297561 VDGXABYZDVLXCO-AWEZNQCLSA-N 402.201 3.430 0 40 HGAB COc1ccc(NC(=O)[C@H](C)Sc2ccc(-n3nc(C)cc3C)nn2)cc1OC 11141805 HFMWTUMZIMSDOT-AWEZNQCLSA-N 413.503 3.416 0 40 HGAB O=C(c1ccccc1F)N(Cc1ccc(Br)o1)[C@@H]1CCS(=O)(=O)C1 11914043 UTPXNAJDYSLOGS-LLVKDONJSA-N 416.268 3.011 0 40 HGAB C[C@H]1C[C@H](C)CN(CC(=O)N2C[C@@H](c3csnn3)[C@H](c3ccc(F)cc3)C2)C1 12182725 XUWNGOZYVZDLIU-STEAMIEHSA-N 402.539 3.365 0 40 HGAB O=S1(=O)c2ccccc2[C@@H](O)[C@H](Cc2ccccn2)N1CCCc1ccccc1 12323139 OHFHLWCPEHZFDL-JTHBVZDNSA-N 408.523 3.363 0 40 HGAB CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)N2CC[C@H]3CCCC[C@@H]3C2)c1 12606278 KBTYRGWEUHJUTI-QZTJIDSGSA-N 419.591 3.189 0 40 HGAB O=C(c1ccccc1Cl)N1CCN(Cc2nc3ccc(Cl)cc3c(=O)[nH]2)CC1 12867624 LFNAMWFMNQLCTK-UHFFFAOYSA-N 417.296 3.188 0 40 HGAB COC(=O)c1ccccc1NC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 12874302 KXQISWKRUJUGMS-UHFFFAOYSA-N 413.433 3.484 0 40 HGAB CNS(=O)(=O)c1ccc(NC(=O)c2cc(-c3ccco3)nn2-c2ccccc2)cc1 12890403 XTZSTUDPSKJMTG-UHFFFAOYSA-N 422.466 3.293 0 40 HGAB C[C@@H]1C[C@H]1C(=O)NCC(=O)NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 12925812 FMTNVOTYOUHJHV-FOIQADDNSA-N 406.461 3.067 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2nc3c(s2)CCCC3)s1 12986475 FHQPVOPJBAFNRW-ZDUSSCGKSA-N 411.574 3.184 0 40 HGAB Cc1csc2nc(CN(C)CC(=O)Nc3ccc(Cl)c(Cl)c3)cc(=O)n12 13055731 KKXIJPFXBYOSKV-UHFFFAOYSA-N 411.314 3.442 0 40 HGAB COc1ccc(CNC(=O)[C@H]2CCCN(C(=O)c3cc4ccccc4[nH]3)C2)cc1OC 13693411 WFYUCWMQOGPOEB-SFHVURJKSA-N 421.497 3.354 0 40 HGAB Cc1cc(C(=O)COC(=O)c2ccc3c(c2)CCC(=O)N3)c(C)n1-c1ccccn1 15554616 PHXBXAIOYGXOBP-UHFFFAOYSA-N 403.438 3.414 0 40 HGAB CCOc1ccc(NC(=O)COC(=O)c2cccnc2N2CCCC2)cc1OCC 16289958 MEBDRACQUORNPX-UHFFFAOYSA-N 413.474 3.275 0 40 HGAB COC(=O)[C@H](C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)NC(=O)OCc1ccccc1 16697319 BRROATQELOFYBR-MSOLQXFVSA-N 420.506 3.492 0 40 HGAB in-vitro CC(C)C[C@H](NC(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)c1nc2ccccc2[nH]1 16967239 QFTBLGAEQCQZBX-FCEWJHQRSA-N 408.502 3.108 0 40 HGAB COc1ccc([C@H](CNC(=O)c2cc(OC)c(OC)c(OC)c2)N2CCCC2)cc1 17911523 KQLPXAYMEXBHPU-IBGZPJMESA-N 414.502 3.288 0 40 HGAB biogenic COc1ccc(S(=O)(=O)N2CCC(C(=O)N(C)Cc3ccc(C)cc3)CC2)cc1 18083895 PIDIWZQRDOWAMO-UHFFFAOYSA-N 416.543 3.063 0 40 HGAB Cc1cc(-c2cnc(N3CCCC3)nc2C2CCN(C(=O)c3c[nH]nc3C)CC2)on1 19122975 DSWMFLMITWGGRU-UHFFFAOYSA-N 421.505 3.092 0 40 HGAB CCOc1ccccc1N(CC(=O)N[C@@H](C)c1ccc(C)cc1C)S(C)(=O)=O 20048868 XMFDSVVSAIDJIK-KRWDZBQOSA-N 404.532 3.346 0 40 HGAB CC(C)c1nnc2ccc(N3CCC(C(=O)N4CCc5ccccc5C4)CC3)nn12 20720138 AJDHWELIFDWMRY-UHFFFAOYSA-N 404.518 3.049 0 40 HGAB Cn1ncc2c(SCC(=O)N3N=C(c4ccco4)C[C@@H]3c3cccs3)ncnc21 21754628 BHNDQGKDQRZZNG-CQSZACIVSA-N 424.511 3.488 0 40 HGAB CCc1nc2sc([C@H](c3cccc(C)c3)N3CCC(C(=O)OC)CC3)c(O)n2n1 22853633 VDDIYJCDPZAMPZ-KRWDZBQOSA-N 414.531 3.342 0 40 HGAB CCOC(=O)C1CCN([C@@H](c2cccc(F)c2)c2sc3nc(C)nn3c2O)CC1 23157348 IGVWYKZISHMJAE-INIZCTEOSA-N 418.494 3.308 0 40 HGAB COc1ccc(F)cc1CN1CCN(C(=O)c2cc(Cl)c3c(c2)OCCO3)CC1 24387446 NKCPHYIBWREYPC-UHFFFAOYSA-N 420.868 3.217 0 40 HGAB O=C(NCc1ccccc1)[C@H]1CSCN1C(=O)c1cccc(Br)c1 24673065 ATVAJGPSHFDTHU-MRXNPFEDSA-N 405.317 3.281 0 40 HGAB Cc1ccccc1N(CC(=O)NCCOc1ccc(C(C)(C)C)cc1)S(C)(=O)=O 25190346 SUVVETSZOWEGNP-UHFFFAOYSA-N 418.559 3.254 0 40 HGAB O=C(CS[C@H]1CCS(=O)(=O)C1)Nc1cccc(OCc2ccc(F)cc2)c1 30391956 VXBWRGPWZWDGNH-SFHVURJKSA-N 409.504 3.264 0 40 HGAB Cc1cccc2c(=O)n(CCCC(=O)OCc3nnc(-c4cccs4)o3)cnc12 32850636 SKRAAGQZIHHCIJ-UHFFFAOYSA-N 410.455 3.340 0 40 HGAB C[C@@H]1CCCCN1Cc1ccccc1CNC(=O)Cn1ncc2ccccc2c1=O 32930758 VSDPFXCDPOVPLZ-GOSISDBHSA-N 404.514 3.087 0 40 HGAB COc1cc(CNC(=O)c2ccc(Cl)cc2I)ccn1 33244119 PJFHCUAPWWJPFK-UHFFFAOYSA-N 402.619 3.278 0 40 HGAB CCn1nnc(-c2ccccc2NC(=O)COc2ccc(Br)cc2)n1 35291207 PMMBFANFKISHLP-UHFFFAOYSA-N 402.252 3.140 0 40 HGAB CC[C@@H](C[C@@H]1CC[C@H]([C@@H](C)C(=O)O)O1)OC(=O)[C@H](C)[C@H]1CC[C@H](C[C@H](O)CC)O1 35455965 WGVQPPKZKAJDGR-MMDGVZLWSA-N 414.539 3.311 0 40 HGAB biogenic,in-vitro COc1ccc(OC)c(-c2cc(C(=O)N3CCn4c3nc3ccccc34)n(C)n2)c1 38488954 BRBBJOWOAFGCGY-UHFFFAOYSA-N 403.442 3.114 0 40 HGAB O=C([C@@H]1Cc2ccccc2CN1Cc1nc(Cc2ccccc2)no1)N1CCCC1 40120366 ALZVZDDKVUYCKG-NRFANRHFSA-N 402.498 3.210 0 40 HGAB CCN(Cc1cccc(S(=O)(=O)N2CCOCC2)c1)[C@@H](C)c1cccc(OC)c1 40122945 IGDQLVGRQXJKLH-SFHVURJKSA-N 418.559 3.299 0 40 HGAB O=C(NCCc1ccccc1F)C1CCN(C(=O)c2cc(-c3cccnc3)on2)CC1 40142355 PSZMCSYXAYQCFA-UHFFFAOYSA-N 422.460 3.087 0 40 HGAB CCCS(=O)(=O)Nc1ccccc1C(=O)NCC(=O)Nc1c(C)cc(C)cc1C 40157116 VPRFJGFSUQBFJZ-UHFFFAOYSA-N 417.531 3.132 0 40 HGAB O=C(NCc1cccnc1Oc1cccc(F)c1)c1ccc(N2CCNC2=O)cc1 43050328 VEXNEEGEZNUCCB-UHFFFAOYSA-N 406.417 3.473 0 40 HGAB CCCCCCN(CCN1CCOCC1)C(=O)c1ccc(NC(=O)C2CC2)cc1 48302684 HUTCTHDPRYPYRY-UHFFFAOYSA-N 401.551 3.390 0 40 HGAB COCCn1cnc2c(-c3ccccc3)cn(CC(=O)Nc3ccc(C)cc3)c2c1=O 48986534 UYTLLMCKDFTCNE-UHFFFAOYSA-N 416.481 3.459 0 40 HGAB COc1cccc(-n2cc(C(=O)O)c3c2[C@@H](c2ccc(O)c(OC)c2)CC(=O)N3)c1 49543448 MDRNZHAOVLSSKP-OAHLLOKOSA-N 408.410 3.372 0 40 HGAB biogenic CC(C)Cn1c(=O)c2sccc2n(CC(=O)Nc2cc(F)ccc2Cl)c1=O 57486104 DXSDMJZOMYTWNP-UHFFFAOYSA-N 409.870 3.312 0 40 HGAB Cc1ccc(S(N)(=O)=O)cc1C(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 63241258 XCDXHBWELGJJTD-UHFFFAOYSA-N 406.467 3.438 0 40 HGAB CN(C)c1nccc(N2CCN(c3nc(-c4ccccc4)nc4ccccc34)CC2)n1 72292435 UKWHTJSEGRBAFZ-UHFFFAOYSA-N 411.513 3.479 0 40 HGAB C[C@@]12CC[C@@H](C[C@@H]1C(=O)N=c1[nH]c3ccccc3[nH]1)[C@]1(C2)NC(=O)c2ccccc2N1 72326541 FPWPNNGXSLFXEC-PFQQKDJCSA-N 415.497 3.301 0 40 HGAB O=C1CCc2cc(OC(=O)Cc3cc4c(cc3Br)OCCO4)ccc2N1 89807648 NCGQUXLTBOZVDP-UHFFFAOYSA-N 418.243 3.253 0 40 HGAB O=C(COC(=O)c1ccccc1N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)c1ccccc1 100555609 MZWAKOAEORXZOL-SNHGZMDHSA-N 403.434 3.262 0 40 HGAB O=C(COC(=O)c1ccccc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)c1ccc(F)cc1 101020499 TXPQXEINYGSLCV-PBFVBANWSA-N 419.408 3.177 0 40 HGAB CSc1ccc(CNc2ncc3c(=O)n(Cc4ccccc4F)c(=O)[nH]c3n2)cc1 101328878 NGCJWDAJFUHOIB-UHFFFAOYSA-N 423.473 3.001 0 40 HGAB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)cc1 104263717 UKWVCWMPOJTSCF-IRXDYDNUSA-N 402.516 3.070 0 40 HGAB C[C@H](c1ccccc1)N1C[C@@H](C(=O)OCC(=O)Nc2ccccc2Cl)CC1=O 139141807 KQDOWCWGFAXLON-ZBFHGGJFSA-N 400.862 3.431 0 40 HGAB COC[C@]1(C(=O)O)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(OC)cc1 218124211 LCJXROGQBPWZLQ-JENIJYKNSA-N 410.875 3.006 0 40 HGAB O=C(CCCN1C(=O)c2ccccc2S1(=O)=O)Nc1ccc(C(F)(F)F)cc1 219437678 SOZKLVQQFDLUFL-UHFFFAOYSA-N 412.389 3.269 0 40 HGAB CCOc1ccc(-c2noc(CN(C)S(=O)(=O)Cc3ccccc3F)n2)cc1 223633598 FHOVLVHCXRXVPQ-UHFFFAOYSA-N 405.451 3.236 0 40 HGAB C[C@H](C(=O)NCc1cccc(C(F)(F)F)c1)N(c1ccccc1)S(C)(=O)=O 223714391 KBYKWGMIJWRUAY-CYBMUJFWSA-N 400.422 3.176 0 40 HGAB COCCn1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc2c(c1)OCO2 224007935 CXBWXBBZESRGHE-LEWJYISDSA-N 422.510 3.435 0 40 HGAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)Nc1ccc3c4c(cccc14)CC3)O2 224485750 ZGHHBUXYPJURTN-NRFANRHFSA-N 422.506 3.413 0 40 HGAB Cc1ccc(C)c(S(=O)(=O)N(CCc2ccccc2)CC(=O)NC(C)(C)C)c1 225940107 IOICOKWTVUSPPM-UHFFFAOYSA-N 402.560 3.452 0 40 HGAB Cc1nn(C(C)C)c(C)c1S(=O)(=O)N1CC[C@H](Oc2ccc3ccccc3n2)C1 252538957 NLYDRICNNFSHSE-SFHVURJKSA-N 414.531 3.471 0 40 HGAB O=C(c1sc2ncccc2c1[C@H]1CCN(C(=O)C2CCCC2)C1)N1CCOCC1 257253730 KAAVSGKCTICGAX-INIZCTEOSA-N 413.543 3.275 0 40 HGAB NC(=O)c1ccc(-c2cccc([C@@H]3CN(C(=O)Cc4ccc(F)cc4)CCO3)n2)cc1 257282123 OSKDCGXJUFZWLV-QFIPXVFZSA-N 419.456 3.129 0 40 HGAB CO[C@@H]1CN(CC(=O)Nc2nc(-c3ccc(F)cc3)cs2)CC[C@]12CCCO2 257286303 PLBUIMHNPQUYSB-YLJYHZDGSA-N 405.495 3.158 0 40 HGAB C[C@@H](C(=O)N[C@H](C)c1ccc2c(c1)CCC2)N(c1ccccc1F)S(C)(=O)=O 260924463 HXLFKMPGQDHUBZ-CABCVRRESA-N 404.507 3.346 0 40 HGAB Cc1cnc(C(=O)N[C@H]2CCCC[C@]23CN(Cc2ccc4[nH]ccc4c2)CCO3)cn1 306125168 CIFZPOIZLDEIOL-UPVQGACJSA-N 419.529 3.210 0 40 HGAB COc1cccc(CN2CCC[C@@]3(CN(Cc4c[nH]nc4C)CC(F)(F)C3)C2=O)c1 306143500 YDTHIWHKWDPLIU-OAQYLSRUSA-N 418.488 3.377 0 40 HGAB CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)Nc2c(Cl)cccc2Cl)cc1 408593320 MJIASTSKNHHBDS-SNVBAGLBSA-N 403.287 3.308 0 40 HGAB COc1ccccc1NS(=O)(=O)c1ccc(O[C@H](C)C(=O)NCC(C)C)cc1 408607047 PVYFDTLHGZEJLN-OAHLLOKOSA-N 406.504 3.036 0 40 HGAB Cc1ccc(C(=O)O)c(NC(=O)c2cccc(N3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)c2)c1 408671820 LHXGMLXNIZMVSS-WZBLMQSHSA-N 416.433 3.257 0 40 HGAB O=S(=O)(c1ccccc1Cl)N1CC[C@H](Oc2ccncc2Br)C1 1775972702 ROHJFUKLHXEWMQ-NSHDSACASA-N 417.712 3.340 0 40 HGAB COc1ccc(Cl)cc1C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 917485 MUBLVZHAPCJGIH-UHFFFAOYSA-N 418.862 3.192 0 40 HGAB C[C@](O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C(F)(F)F)cc1 1391965 RGKMNDJXEGGASY-INIZCTEOSA-N 405.369 3.008 0 40 HGAB O=C(c1cnn(C(=O)c2nn(-c3ccc(Cl)cc3)cc2O)c1)c1ccccc1O 3348833 JOSKZIZAKRYRLL-UHFFFAOYSA-N 408.801 3.053 0 40 HGAB Cc1ccc(NC(=S)N2CCN(S(=O)(=O)c3cccs3)CC2)cc1Cl 3381067 LTDRLTRLLPCNJA-UHFFFAOYSA-N 415.993 3.413 0 40 HGAB C[C@@H](Sc1nnnn1-c1ccc(Cl)cc1)C(=O)Nc1ccc2c(c1)OCO2 3493078 BRZPHUIBYSBBSX-SNVBAGLBSA-N 403.851 3.164 0 40 HGAB O=C(Cc1ccccc1)Nc1nnc(SCC(=O)N2CCc3ccccc32)s1 4078185 GALXMJATDTZIKM-UHFFFAOYSA-N 410.524 3.401 0 40 HGAB CCOC(=O)c1c(NC(=O)[C@H](C)Sc2nncn2C)sc2c1CCCCC2 4263106 SAPBOBBGGNWDMB-NSHDSACASA-N 408.549 3.442 0 40 HGAB CCOc1ccccc1OC[C@H](O)CN(C)C(=O)c1ccc(Br)cc1 4681055 OSBSRSCHDPALJT-MRXNPFEDSA-N 408.292 3.360 0 40 HGAB COc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)C2CC2)CCC3)cc1OC 5252359 LVDGKJRLHBQKKI-UHFFFAOYSA-N 416.499 3.194 0 40 HGAB O=C1COc2ccc(C(=O)COC(=O)c3c4c(nc5ccccc35)CCC4)cc2N1 5864398 BBGIMXVEIGTNDR-UHFFFAOYSA-N 402.406 3.094 0 40 HGAB Nc1nc(N)nc(CSc2nnc(Cc3cccs3)n2C2CCCCC2)n1 7080949 VHOVUPPFZMTGDB-UHFFFAOYSA-N 402.553 3.077 0 40 HGAB O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1cncn1-c1ccc(F)cc1 8135622 RFGPVCMMMLWTFA-UHFFFAOYSA-N 414.462 3.048 0 40 HGAB COc1ccccc1Nc1nc(N)nc(COC(=O)C23CC4CC(CC(C4)C2)C3)n1 8486403 SRMBTBAGRIZRHZ-UHFFFAOYSA-N 409.490 3.466 0 40 HGAB CCc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2[C@@H]2CCS(=O)(=O)C2)cc1 8917065 RKDUWBXRFDRQCQ-OXQOHEQNSA-N 423.490 3.088 0 40 HGAB CC(C)OC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)cc1 9508432 QXTHQXBKYGUCCL-MRXNPFEDSA-N 424.453 3.015 0 40 HGAB O=C(Nc1nccs1)c1cn(C[C@@H]2CCCO2)cc2c(=O)n(-c3ccccc3)nc1-2 9663705 VOPRHPWTDYUBSP-HNNXBMFYSA-N 421.482 3.027 0 40 HGAB C[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCCCN3C(=O)c3ccn(C)c(=O)c3)cc2N1 12182418 NHFOFVJTWFCGOQ-DAXOMENPSA-N 423.439 3.257 0 40 HGAB CCS(=O)(=O)N1CCC(c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C(C)C)N3)CC1 12182562 BEGJBVXHUVKGFK-DZGCQCFKSA-N 408.490 3.356 0 40 HGAB O=C(CSc1nc2ccccc2n1-c1ccccc1)NCCCN1CCCC1=O 12506266 HTEVSKJSNPTHAS-UHFFFAOYSA-N 408.527 3.246 0 40 HGAB COc1ccc(S(=O)(=O)Nc2nc(C(=O)N[C@H](C)c3ccccc3)cs2)cc1 12628226 FPIQIGJNMBTYHA-CYBMUJFWSA-N 417.512 3.444 0 40 HGAB Cc1ccccc1C(=O)N1CCC(C(=O)Nc2ccccc2N2CCOCC2)CC1 12635122 PEOOXYPIEXOXNB-UHFFFAOYSA-N 407.514 3.323 0 40 HGAB CS(=O)(=O)NC1(CNC(=O)c2ccc(Oc3ccccc3)cc2)CCCCC1 12783660 NLIBXCLDGLUGDM-UHFFFAOYSA-N 402.516 3.461 0 40 HGAB Cc1ccccc1[C@H](OC[C@H](O)CN1C(=O)N[C@@](C)(C2CC2)C1=O)c1ccccc1 12798557 XSNWZOVAXKKCKE-ZYKOEDHHSA-N 408.498 3.182 0 40 HGAB CC(=O)N[C@H](CC(=O)Nc1cc(S(C)(=O)=O)ccc1C)c1ccc(Cl)cc1 12934231 YDWZBFUIJOBXJG-GOSISDBHSA-N 408.907 3.258 0 40 HGAB C[C@H]1C(=O)N(C[C@H](O)COc2cccc(Br)c2)C(=O)N1c1ccccc1 12982514 GXWCGZOJEHMJNJ-BBRMVZONSA-N 419.275 3.046 0 40 HGAB O=C(Nc1nc2ccccc2nc1N1CCCC1)C1CCN(C(=O)c2ccoc2)CC1 12986939 UNMSFNDVBGQBIU-UHFFFAOYSA-N 419.485 3.314 0 40 HGAB FC(F)(F)c1nnc2ccc(Nc3ccc4nc(N5CCOCC5)sc4c3)nn12 14260780 IIKIYPOBRXIRGH-UHFFFAOYSA-N 421.408 3.333 0 40 HGAB CN(Cc1ccc(Cl)cc1)C(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 15439648 LLUNLZLWQNQXQD-UHFFFAOYSA-N 406.935 3.399 0 40 HGAB COc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)Nc1cccc(Cl)c1 16188363 IVMXSHXQALYAQZ-UHFFFAOYSA-N 403.287 3.261 0 40 HGAB O=C(Cn1cnc2c(sc3ncccc32)c1=O)Nc1ccc(Br)cc1 16842833 BETPOAGCXXBODJ-UHFFFAOYSA-N 415.272 3.407 0 40 HGAB Cc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)c1ccc2c(c1)OCCO2 17087672 AMYZJAKRADDNGN-UHFFFAOYSA-N 407.455 3.493 0 40 HGAB COC(=O)C[C@@H](NC(=O)c1nc(C)n(-c2ccc(F)cc2)n1)c1ccc(Cl)cc1 17588097 MZWKJTMWUBPJGY-QGZVFWFLSA-N 416.840 3.402 0 40 HGAB O=C(COC(=O)c1cccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1)c1ccc(F)cc1 17988347 IIRMIIJRJYRYAX-OALUTQOASA-N 407.397 3.321 0 40 HGAB COc1ccc(-c2cc3nc([C@H](C)NC(=O)c4ccc5c(c4)OCO5)nn3cn2)cc1 19574467 BBIJGSNPOVRIDF-ZDUSSCGKSA-N 417.425 3.020 0 40 HGAB Cc1cc(C)nc(N2CC[C@@H](c3c(C(=O)N4CCOCC4)sc4ncccc34)C2)n1 19701983 OPACDDGDVQPVNZ-MRXNPFEDSA-N 423.542 3.169 0 40 HGAB COc1ccc(N2C[C@@H](NC(=O)Cc3csc(-c4ccccc4)n3)CC2=O)cc1 19715104 DDUGPQHORDQLRB-INIZCTEOSA-N 407.495 3.283 0 40 HGAB Cc1nc([C@H]2CCCCN2C(=O)c2ccccn2)ncc1C(=O)NCc1ccccc1 19764463 PTPZLQWZBOEGRH-OAQYLSRUSA-N 415.497 3.477 0 40 HGAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(NS(=O)(=O)CC)cc1 19886495 WMOKJWDHWWWWFS-AWEZNQCLSA-N 403.504 3.229 0 40 HGAB COC(=O)[C@H](CC(C)C)NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(Cl)cc1F 20738655 QEPFXWRSBNCYAF-FUHWJXTLSA-N 422.888 3.447 0 40 HGAB CCOC(=O)c1c(-c2cccs2)csc1NC(=O)CN1CCN(CC)CC1 22862913 INIUPNNASQSQTC-UHFFFAOYSA-N 407.561 3.229 0 40 HGAB Cc1csc2nc(COC(=O)c3cc(C4CC4)nn3-c3ccccc3)cc(=O)n12 23084838 JPLYSYNLVOKXDH-UHFFFAOYSA-N 406.467 3.485 0 40 HGAB CCOc1ccc(C(=O)NC[C@H](c2ccc(F)cc2)N2CCOCC2)cc1OCC 23106237 ZBJXGSUYWWAJRM-HXUWFJFHSA-N 416.493 3.426 0 40 HGAB CN(C)S(=O)(=O)c1ccc(OCCN2CCc3sccc3[C@H]2C2CC2)cc1 24768795 YZQWABQKTZHZTO-HXUWFJFHSA-N 406.573 3.387 0 40 HGAB Cc1nc(C)c(CCC(=O)Nc2ccnn2Cc2ccc(C(F)(F)F)cc2)c(=O)[nH]1 24771846 RTGRTUWYDZKXOU-UHFFFAOYSA-N 419.407 3.222 0 40 HGAB Cc1sc2nc(COC(=O)C[C@H]3Sc4ccccc4NC3=O)[nH]c(=O)c2c1C 25054165 SVISZZJFAGERDT-CYBMUJFWSA-N 415.496 3.148 0 40 HGAB NC(=O)[C@@H](Sc1nc(O)c2cnn(-c3cccc(Cl)c3)c2n1)c1ccccc1 26430581 HLFIQRAWHWYWPD-HNNXBMFYSA-N 411.874 3.493 0 40 HGAB CC1CCN([C@H](CNC(=O)CCn2cnc3ccccc3c2=O)c2cccs2)CC1 27574900 WKFUDRNZGGTMMH-HXUWFJFHSA-N 424.570 3.438 0 40 HGAB COc1ccc(N2C(=O)CC[C@@H](C(=O)N(C)C)[C@H]2c2ccc(OC)c(OC)c2)cc1 30806162 YEVKAUSDXJIQRJ-XMSQKQJNSA-N 412.486 3.285 0 40 HGAB CC(C)c1cccc(NC(=O)CSc2nc3cc(S(N)(=O)=O)ccc3n2C)c1 32858291 YWGNHFLTEFNRCX-UHFFFAOYSA-N 418.544 3.075 0 40 HGAB COc1ccc(C(=O)N[C@@H](c2ccc(F)cc2)C(C)C)cc1S(=O)(=O)NC1CC1 32899727 KLRUWQZDXNAOLB-HXUWFJFHSA-N 420.506 3.402 0 40 HGAB O=C(N[C@H](Cc1ccccc1)C(=O)Nc1nc(CN2CCCC2)cs1)c1ccco1 32978604 AFQYUNURQNOWQT-GOSISDBHSA-N 424.526 3.312 0 40 HGAB C[C@H](NC(=O)c1cc(-c2cccs2)n([C@H]2CCS(=O)(=O)C2)n1)c1ccccc1 33325350 UXUCWBSJPKBFHE-HOCLYGCPSA-N 415.540 3.462 0 40 HGAB COC(=O)c1cccc(Cn2cc(/C=C3\C(=O)NC(=S)N=C3O)c3ccccc32)c1 34771323 PGYJCQNOZUPORF-UHFFFAOYSA-N 419.462 3.231 0 40 HGAB O=C(CSc1nnnn1C1CCCC1)NCc1csc(-c2ccccc2)n1 36392826 XMQRPBXPUMZGHY-UHFFFAOYSA-N 400.533 3.320 0 40 HGAB C[C@@H]1CN(Cc2ccc(CNC(=O)c3cncc(Br)c3)cc2)C[C@@H](C)O1 40087478 ICRUAOLBKNCHLM-HUUCEWRRSA-N 418.335 3.383 0 40 HGAB O=C(Cn1cccn1)Nc1ccc(OCC(=O)Nc2ccccc2OC(F)F)cc1 40135329 GHBJSJUWMLYRFT-UHFFFAOYSA-N 416.384 3.141 0 40 HGAB O=C(NC1CCN(C(=O)C2CCN(Cc3ccccc3)CC2)CC1)c1ccccc1 40150368 XGDOUXAGZDACTA-UHFFFAOYSA-N 405.542 3.320 0 40 HGAB Clc1cnc(N2CCN(CCCc3nnnn3-c3ccccc3)CC2)c(Cl)c1 40153622 JMAWXGRQQZNNDJ-UHFFFAOYSA-N 418.332 3.119 0 40 HGAB O=C1CCc2cc(S(=O)(=O)N3CCCc4cc(Br)ccc43)ccc2N1 41107795 ATVFNVKCTRKTPX-UHFFFAOYSA-N 421.316 3.475 0 40 HGAB O=C(Nc1cnc(-c2ccccc2)nc1)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 48252390 HJJOOCFHLMWLKJ-FQEVSTJZSA-N 422.510 3.326 0 40 HGAB COc1ccccc1N(CCC(N)=O)C(=O)CN1CCC[C@H]1CCc1ccccc1 48362344 BEENQSLUEJMGCT-FQEVSTJZSA-N 409.530 3.001 0 40 HGAB COc1ccc(NC(=O)CSC2=NN(C)CC(Oc3ccccc3)=N2)cc1OC 57401848 LQAPCWNOXHAORM-UHFFFAOYSA-N 414.487 3.069 0 40 HGAB CCOc1ccc(C(F)(F)F)cc1NC(=O)C1=NN(c2ccc(C)cc2)C(=O)CN1 60064651 ICZRYCFUTYUKEU-UHFFFAOYSA-N 420.391 3.301 0 40 HGAB O=C(NCc1ccc(-n2cnc3ccccc32)cc1)Nc1ccc2c(c1)C(=O)NC2=O 60974528 MZVOYUIXDACJCJ-UHFFFAOYSA-N 411.421 3.231 0 40 HGAB CC[C@@H](C)N1C(=O)c2ccccc2[C@@H](C(=O)N2CCC(C(N)=O)CC2)C12CCCC2 71279357 LLXXEBZGIOCXHX-UZLBHIALSA-N 411.546 3.061 0 40 HGAB O=C(O)c1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(Br)s1 71843176 MHNWOTZINYPFDH-UHFFFAOYSA-N 402.291 3.350 0 40 HGAB COc1ccccc1Nc1nc(N)nc(COC(=O)[C@@H]2SCCc3ccccc32)n1 72305580 BOQXGGDHJQZUFB-GOSISDBHSA-N 423.498 3.280 0 40 HGAB CCOC(=O)[C@H]1Oc2c(c(=O)oc3ccccc23)[C@H]1c1cc2ccccc2[nH]c1=O 79190151 TZGXCSXIGQOZOY-XLIONFOSSA-N 403.390 3.091 0 40 HGAB biogenic CN(C)C(=O)NCCNC(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1 95464523 GOFASUOQHWUBFW-UHFFFAOYSA-N 423.300 3.247 0 40 HGAB CC(C)c1ccc(CCC(=O)N2CCOC[C@@H]2c2noc(-c3cnn(C)c3)n2)cc1 96001819 IZYIJJPRKJONIM-LJQANCHMSA-N 409.490 3.126 0 40 HGAB Cc1ccc2oc(CO[C@H]3CN(S(=O)(=O)c4ccc(F)cc4)C[C@H]3F)nc2c1 96112016 KGWXTJRBFCNCRZ-QAPCUYQASA-N 408.426 3.203 0 40 HGAB biogenic,in-vitro CN(C)C(=O)n1c(C(=O)N2CCC(N3CCCC3)CC2)cc2c1c1ccccc1n2C 96146317 CDROZTROJQCJGY-UHFFFAOYSA-N 421.545 3.363 0 40 HGAB Cc1cnc(CNC(=O)[C@@H]2C[C@]3(CO2)CN(Cc2ccccc2)c2ccccc23)cn1 96262838 OYCDJBDMXLNDEP-UKILVPOCSA-N 414.509 3.148 0 40 HGAB CC(=O)N/C(=C/c1ccccc1)C(=O)OCC(=O)Nc1ncc(Cl)cc1Cl 97653882 JDWSOEPGCHBLIQ-VIZOYTHASA-N 408.241 3.047 0 40 HGAB COCCn1/c(=N/C(=O)c2ccc(S(C)(=O)=O)cc2)sc2cc(Cl)ccc21 101042133 MNRSKMZCGKQSCC-ZZEZOPTASA-N 424.931 3.147 0 40 HGAB O=c1c2ccccc2nnn1C[C@H]1CC[C@H](C(=O)Nc2nc3ccccc3[nH]2)CC1 102599305 RURAKXHEOJGMKH-GASCZTMLSA-N 402.458 3.113 0 40 HGAB CCOCCCNC(=O)COc1ccc(S(=O)(=O)Nc2cc(C)ccc2C)cc1 107882959 YANANFRFZWCVRI-UHFFFAOYSA-N 420.531 3.026 0 40 HGAB COc1ccc(NC(=O)CN(c2cccc(SC)c2)S(C)(=O)=O)cc1Cl 220064183 ZEYOKEDWBWWDTD-UHFFFAOYSA-N 414.936 3.475 0 40 HGAB CCOc1ccc(N([C@H](CC)C(=O)Nc2cccc(OC)c2)S(C)(=O)=O)cc1 220663842 RWMKSGUUWUHJLT-LJQANCHMSA-N 406.504 3.277 0 40 HGAB CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2cc(C(=O)O)cc(C(=O)O)c2)o1 222759905 QJIQZEGMWIWZOD-ROUUACIJSA-N 423.450 3.340 0 40 HGAB C[C@H](NC(=O)CN(c1ccccc1)S(=O)(=O)N(C)C)c1ccc2c(c1)CCCC2 222932682 PKYKEMCMCBBWDH-KRWDZBQOSA-N 415.559 3.056 0 40 HGAB COc1ccccc1OCCNS(=O)(=O)c1ccc(OC)c(Cl)c1Cl 223852617 NQRNKCMPOWCIPL-UHFFFAOYSA-N 406.287 3.368 0 40 HGAB COc1ccccc1OCC(=O)N(Cc1ccc(F)cc1)[C@H](C)C(=O)NCC(C)C 224279684 HUFOWRRNYNOQJD-QGZVFWFLSA-N 416.493 3.403 0 40 HGAB Cc1cccc(C)c1N(CCCC(=O)NCCOCc1ccccc1)S(C)(=O)=O 224652414 HZWBEXIIRNVKNT-UHFFFAOYSA-N 418.559 3.183 0 40 HGAB C[C@]1(O)CN(CC(=O)Nc2ccc(OC(F)F)cc2)CC[C@@H]1Oc1ccccc1 257233705 GQIGNOWJNZAJOQ-RXVVDRJESA-N 406.429 3.131 0 40 HGAB Cc1ccc([C@H](C)NC(=O)[C@H](C)Oc2ccc(N(C)S(C)(=O)=O)cc2)c(C)c1 260764557 KALJPAKGUZGYFO-IRXDYDNUSA-N 404.532 3.344 0 40 HGAB COc1cccc(-c2ccc3nc([C@H]4CCCN(C(=O)c5ccn(C)n5)C4)nn3c2)c1 306132165 LAPALRREBBFQJX-SFHVURJKSA-N 416.485 3.158 0 40 HGAB Cc1nc(C(=O)N2C[C@@H]3[C@@H](C2)c2cc(-c4ccoc4)ccc2S3(=O)=O)cs1 306137474 QXIICGRVVMZTBS-MAUKXSAKSA-N 400.481 3.107 0 40 HGAB Cc1cccc(CN2C[C@@H]3Cc4nnc(C(=O)Nc5cccc(F)c5)n4C[C@H]3C2)c1 306137983 RLSKDMIMTGFOEC-ZWKOTPCHSA-N 405.477 3.282 0 40 HGAB COc1cc2nc(NN)n(CCc3c[nH]c4ccc(Cl)cc34)c(=O)c2cc1OC 408712841 WBMJNNSOUKMXGB-UHFFFAOYSA-N 413.865 3.077 0 40 HGAB CCCc1cnc(Nc2cc(C3CCN(C(=O)C(C)(C)N)CC3)nc(C)n2)s1 585262856 ASWNJUFSCCMCEK-UHFFFAOYSA-N 402.568 3.381 0 40 HGAB C=CC(=O)Nc1ccc(O)c(C(=O)N2CCc3cccc(Br)c3C2)c1 1150687593 HQMACKCESHQGHD-UHFFFAOYSA-N 401.260 3.478 0 40 HGAB CC(C)(C)N1C[C@H](NC(=O)Nc2ccn(-c3ccc(Br)cc3)n2)CC1=O 1677868614 YSZUQLPRJSARFY-CYBMUJFWSA-N 420.311 3.156 0 40 HGAB CCOc1ccc(NC(=O)N2CCN(c3ccnc(C(F)(F)F)c3)C(=O)C2)cc1 1775974800 QMANNZVSKMCMNQ-UHFFFAOYSA-N 408.380 3.380 0 40 HGAB Nc1cc(COC(=O)[C@@H]2CCC(=O)N(c3cccc(F)c3)C2)nn1-c1ccccc1 2087113978 OYHRDBNVJHGKET-OAHLLOKOSA-N 408.433 3.080 0 40 HGAB COc1ccc(OCc2nnc(SCC(=O)Nc3ccccc3OC)n2C)cc1 873141 OFVPDPNVQUZRLI-UHFFFAOYSA-N 414.487 3.142 0 40 HGAB Cc1cc(C)c(OCC(=O)N2N=C(c3ccncc3)C[C@]2(O)C(F)(F)F)c(C)c1 890966 DPEGGXJNMKCHTP-IBGZPJMESA-N 407.392 3.273 0 40 HGAB COc1cc(C)nc(N2CCC[C@@H](C(=O)Nc3ccc(Br)cc3)C2)n1 1344065 NICJLMOVZITBPE-CYBMUJFWSA-N 405.296 3.411 0 40 HGAB CCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@@H]1c1ccc(OCC)c(OC)c1 2256444 FTAJNCSEVZBKMY-GOSISDBHSA-N 404.488 3.307 0 40 HGAB COC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1OC)CCC3 2296334 MBLDQLQOMBJXAW-UHFFFAOYSA-N 402.497 3.210 0 40 HGAB CCCCN1C(=O)[C@](O)(CC(=O)c2ccccn2)c2cc(Br)ccc21 2493094 WKDSPLTZEKFOCG-IBGZPJMESA-N 403.276 3.451 0 40 HGAB Nn1c(SCC(=O)NCc2ccc(Cl)cc2)nnc1-c1ccc(Cl)cc1 3295096 IUBNQAWIQFISCV-UHFFFAOYSA-N 408.314 3.374 0 40 HGAB CCCCn1c(COC(=O)c2cc(C)ccc2C)nc2cc(S(N)(=O)=O)ccc21 5093450 KHWVAKGPRZHJRR-UHFFFAOYSA-N 415.515 3.458 0 40 HGAB COc1ccc(C(=O)NCc2ccc(F)cc2)cc1S(=O)(=O)N1CCCC[C@@H]1C 5466512 CSPWCADUNZTOEE-HNNXBMFYSA-N 420.506 3.327 0 40 HGAB Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 7402733 GPDNIJZPVIRQJT-UHFFFAOYSA-N 414.936 3.234 0 40 HGAB O=C(Nc1cccc(Cl)c1)[C@@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1 8313043 CCTYDJOLGJSSHE-CYBMUJFWSA-N 403.891 3.140 0 40 HGAB CCn1c(COc2ccc(C(C)=O)cc2)nc2cc(S(=O)(=O)N(C)C)ccc21 9378438 ZVGGWCANOKGIBG-UHFFFAOYSA-N 401.488 3.088 0 40 HGAB CCOC(=O)c1cccc(NC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)c1C 10442716 FVCLTJPCZGMWSK-UHFFFAOYSA-N 424.906 3.230 0 40 HGAB O=C(N[C@@H](c1ccccc1)C1CC1)C1CCN(S(=O)(=O)c2ccccc2F)CC1 11212933 XCSBSWOCKUODHF-NRFANRHFSA-N 416.518 3.494 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(Cl)c(NS(=O)(=O)c2cccs2)c1 11691650 NLWCQAPSOPVFTC-UHFFFAOYSA-N 408.954 3.233 0 40 HGAB O=C(Nn1cnc2ccccc21)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 12628238 ZDGXASXCWCXSAV-UHFFFAOYSA-N 410.430 3.360 0 40 HGAB CCOC(=O)C1CCN(C(=O)[C@H](C)OC(=O)c2oc3ccc(OC)cc3c2C)CC1 12798374 HIGDIDHEBROPRW-AWEZNQCLSA-N 417.458 3.097 0 40 HGAB CC1CCN([C@H](CNC(=O)c2ccc(S(C)(=O)=O)cc2)c2cccs2)CC1 12818219 PVPWGEZBHILYNE-GOSISDBHSA-N 406.573 3.355 0 40 HGAB Cc1c(CC(=O)N2CCC[C@H](C(=O)O)C2)c(=O)oc2cc3c(cc12)CCC(C)(C)O3 12892401 UATUAMLHWHSNGX-HNNXBMFYSA-N 413.470 3.071 0 40 HGAB biogenic CCc1ccc([C@@H](CNC(=O)[C@H](NC(=O)Cc2ccccc2)C(C)C)N(C)C)cc1 12909414 VBSVXWMWHDGVOV-ISKFKSNPSA-N 409.574 3.351 0 40 HGAB CNS(=O)(=O)Cc1ccccc1CNc1nc(-c2cccnc2)nc2ccccc12 12971779 IYBCVHIGCABLBN-UHFFFAOYSA-N 419.510 3.353 0 40 HGAB Cc1ccc(C)c(C(=O)NCCN2C(=O)S/C(=C\c3ccc4c(c3)OCO4)C2=O)c1 12996746 RHVLMUPFUTUNQA-ODLFYWEKSA-N 424.478 3.498 0 40 HGAB Cc1ccc(S(=O)(=O)N(Cc2cc3ccccc3[nH]c2=O)C[C@H]2CCCO2)cc1 13494426 YNUZQHFHAXAFEG-LJQANCHMSA-N 412.511 3.206 0 40 HGAB COc1ccc(C(=O)Nc2nc(CC(=O)NCc3ccccc3OC)cs2)cc1 15880985 HJHWKILFZFZLLM-UHFFFAOYSA-N 411.483 3.272 0 40 HGAB O=C(CCn1[nH]c(=O)c2ccccc2c1=O)N[C@H]1CCSc2ccc(Cl)cc21 16299337 ATHOHNJKTPHFGS-INIZCTEOSA-N 415.902 3.087 0 40 HGAB COc1cc2nc(CN(C)CCOc3ccc(Cl)cc3)[nH]c(=O)c2cc1OC 16632979 FVCVHRNOOPYAAW-UHFFFAOYSA-N 403.866 3.105 0 40 HGAB O=C(NCc1ccc2c(c1)OCO2)c1c(O)c2ccccc2n(-c2ccccc2)c1=O 16839928 QJNHVPBOVVFHHR-UHFFFAOYSA-N 414.417 3.355 0 40 HGAB Cc1cc(NC(=O)C2CC2)n(-c2nc(O)c3cnn(-c4ccc(Cl)cc4)c3n2)n1 17011684 MXJGBQWMZFRCBF-UHFFFAOYSA-N 409.837 3.017 0 40 HGAB CC(=O)C1=NN(c2ccc(Cl)cc2)[C@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@@H]12 17782464 KAXLLGBUNXXNSL-DOTOQJQBSA-N 402.237 3.317 0 40 HGAB O=C(CC1CCCCC1)N1CCc2nc([C@@H]3CCCN3C(=O)C3CC3)nc(O)c2C1 19014743 HZWRPRLSJRYANX-IBGZPJMESA-N 412.534 3.111 0 40 HGAB O=c1nc(-c2ccncc2)[nH]c2c1CCN(Cc1ccc(OC(F)(F)F)cc1)CC2 19334475 AJBYQTIWVLNOSG-UHFFFAOYSA-N 416.403 3.331 0 40 HGAB O=C(c1ccccc1F)N1CCc2c(nc([C@@H]3CCN(C4CCCCC4)C3)[nH]c2=O)C1 19347676 QVCFFIRGGUVORS-MRXNPFEDSA-N 424.520 3.230 0 40 HGAB CC(=O)N[C@H]1c2ccccc2CC[C@@]12CN(Cc1ccccc1)C[C@@H]2C(=O)NC(C)C 19449788 VJMXMHSFPSMDPT-USZFVNFHSA-N 419.569 3.453 0 40 HGAB CCC(CC)C(=O)N1CCO[C@](Cc2ccc(-c3cccnc3)cc2)(C(=O)N(C)C)C1 19500214 YZPUROAOAREZOC-VWLOTQADSA-N 423.557 3.413 0 40 HGAB CO[C@H]1CCC[C@H](C(=O)NCCn2ncc(-c3cnccn3)c2-c2cccs2)C1 19592666 XYLFKVIEJKMYPA-HOTGVXAUSA-N 411.531 3.390 0 40 HGAB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1cc(Cl)ccc1OC 20009333 QSTWBWRHQWTXPZ-WMLDXEAASA-N 424.950 3.153 0 40 HGAB CCOC(=O)CNC(=O)N[C@@H](c1ccc(Cl)cc1)c1nnc(-c2ccccc2)o1 20167702 QLLMIHDEEMMJAZ-KRWDZBQOSA-N 414.849 3.342 0 40 HGAB CC(C)[C@H](NCC(=O)N[C@H]1CCS(=O)(=O)C1)c1ccc(C2CCCCC2)cc1 21584315 VYPVGPUBAVECHM-UNMCSNQZSA-N 406.592 3.324 0 40 HGAB CCOc1ccc(C(=O)NCCc2ccc(S(=O)(=O)N(CC)CC)cc2)cc1C 22227224 SNQZBRSSPWAAQI-UHFFFAOYSA-N 418.559 3.397 0 40 HGAB COc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccc(Cl)cc2)c1 22229788 KCYXRBJQELJGEO-KRWDZBQOSA-N 408.907 3.449 0 40 HGAB COc1ccc(C(=O)N(Cc2ccc(F)cc2)C2CC2)cc1S(=O)(=O)NC(C)C 22281121 OSQYBCLLTGGRPV-UHFFFAOYSA-N 420.506 3.326 0 40 HGAB Cc1cc(C)c(N(CC(=O)N[C@H](C)COc2ccccc2C)S(C)(=O)=O)c(C)c1 22425742 AMZRVVSLJCHNBZ-LJQANCHMSA-N 418.559 3.270 0 40 HGAB CCn1c(C)cc(O)c([C@H](c2cccc(F)c2)N2CCN(c3ccccn3)CC2)c1=O 22697146 CDJMOYGVVOKEKJ-QHCPKHFHSA-N 422.504 3.328 0 40 HGAB Cc1ccc(Cl)cc1N1CCN(c2ccc(S(=O)(=O)N3CCCC3)cn2)CC1 23819635 FBRREQFUOIRRKS-UHFFFAOYSA-N 420.966 3.155 0 40 HGAB O=C(NCc1csc(-c2ccccc2)n1)[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 24857481 RUMFSJZHCXVZRC-HNNXBMFYSA-N 421.478 3.208 0 40 HGAB CC(=O)c1ccc(N2CCN(C[C@H](O)COCC3=CC[C@H]4C[C@@H]3C4(C)C)CC2)cc1 25562829 LQYFQQZOGBCADR-XWGVYQGASA-N 412.574 3.381 0 40 HGAB CCOC(=O)c1cnn(-c2cccc(NC(=O)c3cnn(C)c3)c2)c1C(F)(F)F 27359460 ZVEQSISLBFUUNE-UHFFFAOYSA-N 407.352 3.054 0 40 HGAB CCOc1ccc(C(=O)NC[C@@H](c2ccc(Cl)cc2)N2CCN(C)CC2)cc1 27662227 XLWMRHZNELERJC-NRFANRHFSA-N 401.938 3.457 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N(Cc3cccnc3)C3CC3)C2)s1 28517987 TXZRJXOYHUXXRK-QGZVFWFLSA-N 419.572 3.043 0 40 HGAB COc1ccccc1N(Cc1nnnn1C1CC1)S(=O)(=O)c1cccc(Cl)c1 29370083 OJDMLBYOMZYBQF-UHFFFAOYSA-N 419.894 3.066 0 40 HGAB COC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)[C@@]2(C)CC2(Cl)Cl)CC1 30684981 QXVDLINQNGIVJH-WMLDXEAASA-N 419.736 3.282 0 40 HGAB CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)NCc1ccc(Cl)cc1 32862392 KEMIVXWZNFKWJW-UHFFFAOYSA-N 409.939 3.167 0 40 HGAB CC(=O)N1CCC(NC(=O)c2cc(-c3cccs3)nc3c2cnn3C(C)C)CC1 32863724 YPVSYYJZJNHSKN-UHFFFAOYSA-N 411.531 3.481 0 40 HGAB Cc1cc(C(=O)CN2CCN(c3ncccn3)CC2)c(C)n1CCc1ccccc1 35392739 VTUCAMCGBNBRJU-UHFFFAOYSA-N 403.530 3.143 0 40 HGAB O=C(NCc1ccc(N2CCCCCC2)nc1)[C@@H]1CCCN(C(=O)c2ccco2)C1 40122101 REOVGXWYRGXTHR-LJQANCHMSA-N 410.518 3.224 0 40 HGAB CC(=O)Nc1ccc(S[C@@H](C)C(=O)NC2CCN(C(=O)c3ccoc3)CC2)cc1 40153332 YYENYBSZYIBMEN-AWEZNQCLSA-N 415.515 3.140 0 40 HGAB Cc1ccccc1Cn1nnc2c(=O)n(CC(=O)Nc3ccc(C(C)C)cc3)cnc21 40477190 VYUUSEOJSIKIOI-UHFFFAOYSA-N 416.485 3.107 0 40 HGAB CCCCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(Cl)cc2F)c1=O 40478519 CKNVTTXNWZMJBN-UHFFFAOYSA-N 403.841 3.395 0 40 HGAB CC[C@@H](NC(=O)[C@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1)c1ccccc1 44935501 YLRDLQWMLHDTAV-CRAIPNDOSA-N 408.907 3.135 0 40 HGAB COc1ccc(OCCC(=O)NCc2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)cc1 47539408 RQYZXGHTRKOAIL-OALUTQOASA-N 412.530 3.390 0 40 HGAB CCOC(=O)c1ccc(S(=O)(=O)N(CCN(CC)CC)Cc2cccs2)cc1 48374777 AZIZJXVEWPQOSX-UHFFFAOYSA-N 424.588 3.458 0 40 HGAB O=C(NC(=S)N1CCN(c2c(F)c(F)c(Cl)c(F)c2F)CC1)c1ccco1 57316705 WZYWHGSYHLSSHA-UHFFFAOYSA-N 421.803 3.326 0 40 HGAB CCOC(=O)C1=C(CN2CCc3ccccc3C2)NC(=O)N[C@@H]1c1ccc(CC)cc1 57478413 PJVXVGUVNVVDEN-HSZRJFAPSA-N 419.525 3.478 0 40 HGAB CN(C)Cc1ccccc1CNC(=O)NC[C@H]1CCN(c2ccc(F)c(F)c2)C1 58406325 UZLHYIDGIXIQGQ-MRXNPFEDSA-N 402.489 3.352 0 40 HGAB COc1cc(C)c2[nH]c3c(c(=O)c2c1)CN(CC(=O)Nc1cc(C)cc(C)c1)CC3 67349927 RIXXFTYPCSBFAY-UHFFFAOYSA-N 405.498 3.459 0 40 HGAB Cc1nn(-c2ccccn2)c(N)c1[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1=O 71285472 YTQOHIGVFSROOM-CQSZACIVSA-N 415.375 3.224 0 40 HGAB COc1ccc(CN2C[C@@H]3CCCN3C[C@@H]2CCSC)cc1Cn1ccnc1 72325139 RLKQIUIRVMJAQY-SFTDATJTSA-N 400.592 3.342 0 40 HGAB CC(=O)c1sc(C2CCN(C(=O)[C@@H]3CCCN3C(=O)c3ccco3)CC2)nc1C 72340179 XUDAATZLRZWXDZ-INIZCTEOSA-N 415.515 3.258 0 40 HGAB CC(=O)N1CCc2nc(C3CCN(C)CC3)nc(N(C)CCCc3ccccc3)c2C1 72372293 YWNSOVDSDHSHAH-UHFFFAOYSA-N 421.589 3.259 0 40 HGAB O=C(Nc1ccc(N2CCOCC2)cc1)C1CN(c2nc3ccc(F)cc3s2)C1 77101422 GMMKXFAPGBJXNA-UHFFFAOYSA-N 412.490 3.347 0 40 HGAB C[C@@H]1/C(=C\C(=O)OCCN(C)C)CC[C@@H]2[C@@H]1C(=O)C[C@H]1C(C)(C)[C@@H](O)CC[C@@]21C 82005003 GMHWATCMBXIANN-PWMNOXIRSA-N 405.579 3.456 0 40 HGAB CC(C)N1CCc2c(O)nc(C3CCN(C(=O)Cc4ccc(F)cc4)CC3)nc2C1 96319707 UYXGUHLNNQLCLD-UHFFFAOYSA-N 412.509 3.037 0 40 HGAB O=C1C[C@@H](NCC2CCN(Cc3cccs3)CC2)C(=O)N1c1ccc(F)cc1 100218638 QUSFCZKTKIMQAB-LJQANCHMSA-N 401.507 3.021 0 40 HGAB C[C@@H](C(=O)Nc1ccc(Br)cc1Cl)N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 100394653 LWNFBBHZXRVXCF-QMMYFYAZSA-N 423.694 3.237 0 40 HGAB CCn1c(Cc2ccc3c(c2)OCCCO3)nnc1SCC(=O)NC1CCCC1 101160954 PJDBJAQDHAGEIL-UHFFFAOYSA-N 416.547 3.201 0 40 HGAB COC(=O)c1ccccc1N1C(=O)[C@H]2ON=C(c3ccc(Cl)cc3Cl)[C@H]2C1=O 101262172 ANAXHCXTBGQGMU-ZBFHGGJFSA-N 419.220 3.073 0 40 HGAB Cc1cc(C(=O)NC2C[C@@H]3CC[C@@H](C2)N3C)c2c(C)nn(Cc3ccccc3)c2n1 101553260 CEYSAWSPZXKTFY-PMACEKPBSA-N 403.530 3.451 0 40 HGAB CC(C)n1c(CNC(=O)[C@H]2CC(=O)N(c3n[nH]c4ccccc34)C2)nc2ccccc21 169779903 FXMYZSADWNAWFM-HNNXBMFYSA-N 416.485 3.163 0 40 HGAB Cc1ccc(OCCNC(=O)[C@@H](C)N(c2ccc(C)c(Cl)c2)S(C)(=O)=O)cc1 220368667 GZZJGAIPCAGSQX-MRXNPFEDSA-N 424.950 3.307 0 40 HGAB CC[C@@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)COc1ccc(OC)cc1 222899637 OLSSTSVLVYABFE-QFIPXVFZSA-N 412.530 3.449 0 40 HGAB Cc1c(C(=O)Nc2nnc(-c3ccccc3)s2)cccc1N(C)S(C)(=O)=O 223364848 PMXCQRPSLRGMMF-UHFFFAOYSA-N 402.501 3.162 0 40 HGAB COc1ccc(F)cc1S(=O)(=O)N(C)Cc1nc(-c2ccc(Cl)cc2)no1 223782528 BXCGTOLJXVPKIL-UHFFFAOYSA-N 411.842 3.358 0 40 HGAB COc1ccc(Cl)cc1N([C@@H](C)C(=O)NCC1=CCCCC1)S(C)(=O)=O 224011149 VDPRYKMODDFKKC-ZDUSSCGKSA-N 400.928 3.120 0 40 HGAB Cc1ccc(C)c(OCCNC(=O)CN(c2ccccc2C(C)C)S(C)(=O)=O)c1 224019491 ZTPHABXBDFPMTP-UHFFFAOYSA-N 418.559 3.388 0 40 HGAB CS(=O)(=O)Nc1ccc(Cl)c(C(=O)Nc2nnc(-c3ccccc3)s2)c1 224717029 TUFHXFXBJMHBCO-UHFFFAOYSA-N 408.892 3.482 0 40 HGAB CC(C)[C@H](C)NC(=O)CN(c1ccc(OCc2ccccc2)cc1)S(C)(=O)=O 225198345 JSOBZNSLGBMIFH-KRWDZBQOSA-N 404.532 3.192 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)NCc1cccc(C)c1 225263650 PXESSQMJBJPUNH-UHFFFAOYSA-N 416.543 3.037 0 40 HGAB CCCSc1nnc(NS(=O)(=O)c2ccc(N3CCCC3=O)c(C)c2)s1 225520340 YCKQTRHALIDWKH-UHFFFAOYSA-N 412.562 3.276 0 40 HGAB COc1ccc(-c2nnc(NC(=O)c3ccc(C)c(NS(C)(=O)=O)c3)s2)cc1 225622640 PQWWNPLXYGJUGP-UHFFFAOYSA-N 418.500 3.146 0 40 HGAB COC(=O)Nc1ccc(S(=O)(=O)NC[C@@H](O)c2csc3ccccc23)cc1 225697154 ARZFVQAEMHCGPE-MRXNPFEDSA-N 406.485 3.092 0 40 HGAB COc1cc(CN(C)C(=O)c2cn3c4c(cccc4c2=O)C[C@H]3C)cc(OC)c1OC 225861283 LUZJQCCZRMHHEP-CQSZACIVSA-N 422.481 3.417 0 40 HGAB O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)N1CCOc2ccccc21 225996435 XCNSWOHLDSZFLP-UHFFFAOYSA-N 422.506 3.303 0 40 HGAB CCOC(=O)[C@@H]1[C@@H](c2ccc(Cl)cc2Cl)NC(=O)N(C)[C@@]1(O)C(F)(F)F 257173228 HCTJVFJACMCBSF-WDMOLILDSA-N 415.195 3.120 0 40 HGAB Cc1ccc(F)cc1NC(=O)CN1CC[C@@]2(CCCN2Cc2ccccc2)[C@@H](O)C1 257306437 SUHAJTMBDKSTJU-UPVQGACJSA-N 411.521 3.174 0 40 HGAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)N[C@H](C)c1ccc(C)c(C)c1)O2 260577936 PWRWFHMAMAYXKC-OXQOHEQNSA-N 402.516 3.016 0 40 HGAB COCCN1CC[C@]2(CN(Cc3cccc(C)c3)C[C@H]2c2cn(C(C)C)cn2)C1=O 306134938 OBXYVHMFRUGUEZ-XUZZJYLKSA-N 410.562 3.237 0 40 HGAB Cc1cc(C)cc(CN2C[C@H]3Cc4nnc(C(=O)NCc5ccccc5)n4C[C@@H]3C2)c1 306137873 RIQFGQJTOMTHKH-YADHBBJMSA-N 415.541 3.129 0 40 HGAB C[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)NC(c1ccccc1)c1ccccc1 408581779 AKYAOHCDRMUMDH-INIZCTEOSA-N 412.486 3.398 0 40 HGAB C[C@@H]1C=CC[C@H]2C(=O)N(c3cccc(C(=O)Nc4ccccc4C(=O)O)c3)C(=O)[C@@H]12 408671857 LRNPJAWJMANISB-XVSDVWIESA-N 404.422 3.339 0 40 HGAB CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C/c2cc(OC)c(OC)cc2OC)C1=O 409199898 FLFBHBBLJWTXJS-FNQVVVRFSA-N 409.460 3.090 0 40 HGAB Cc1ccc(C(=O)NCc2nnc(SCC(=O)Nc3cc(C)cc(C)c3)n2C)cc1 409344529 JPHVKBHGEFMATE-UHFFFAOYSA-N 423.542 3.401 0 40 HGAB Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)N1[C@@H](C)c2ccc(F)cc2C[C@H]1C 537696506 HMHKPXOCWKTVFN-OCCSQVGLSA-N 423.492 3.051 0 40 HGAB Cc1cc(C)nc(N2CCN(C(=O)c3cnn(C(C)(C)C)c3C(F)(F)F)CC2)n1 541251686 KHPBGSQRSSQOCN-UHFFFAOYSA-N 410.444 3.026 0 40 HGAB CCOC(=O)c1c(NC(=O)CN(C)[C@@H](C)c2cccs2)sc(C(N)=O)c1C 552991388 GYUSVVSFANLJAF-NSHDSACASA-N 409.533 3.025 0 40 HGAB Cc1ccc(C)c(NC(=O)COC(=O)[C@@H](CC(C)C)N2C(=O)c3ccccc3C2=O)c1 1916979 VALZVDGTKLMYSE-HXUWFJFHSA-N 422.481 3.496 0 40 HGAB Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)OCc1nc2ccccc2c(=O)[nH]1 2617152 JBVWRJQZFVGLFY-UHFFFAOYSA-N 408.845 3.487 0 40 HGAB CCCCN(CC(=O)N1CCc2ccccc21)S(=O)(=O)c1ccc(OCC)cc1 3310285 MHMWHVMRWCPMLQ-UHFFFAOYSA-N 416.543 3.465 0 40 HGAB CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)c1cc(Cl)c(N)cc1OC 3338107 QSHOMJZHFFIABE-UHFFFAOYSA-N 408.838 3.092 0 40 HGAB C[C@@H](OC(=O)c1ccccc1I)C(=O)N1CCc2ccccc21 3544593 QOKVCWFXVJZQMV-GFCCVEGCSA-N 421.234 3.426 0 40 HGAB COc1ccc(C(=O)NCc2ccccc2Cl)cc1S(=O)(=O)N1CCCC1 3562281 VIEYEMHOYLQGAH-UHFFFAOYSA-N 408.907 3.063 0 40 HGAB COC(=O)c1ccc2c(=O)n(Cc3cccc(Br)c3)c(S)nc2c1 3629980 QIIWBMUFGBHSRC-UHFFFAOYSA-N 405.273 3.283 0 40 HGAB Cc1ccc(-n2ncc3c(=O)n(CC(=O)N4CCCc5ccccc54)cnc32)cc1C 4101395 OEYDODXMXKSEKF-UHFFFAOYSA-N 413.481 3.178 0 40 HGAB CCCCOc1cccc(C(=O)Nc2nc3ccc(S(N)(=O)=O)cc3s2)c1 4194634 YDEJPDRYYRRAMB-UHFFFAOYSA-N 405.501 3.375 0 40 HGAB COc1ccccc1N1CCN(C(=O)CCC(=O)Nc2ccc(Cl)cc2)CC1 4710321 AJLZGQPLZPKTEW-UHFFFAOYSA-N 401.894 3.416 0 40 HGAB CCc1nnc(NC(=O)CSc2nnc(COc3ccc(C)cc3C)n2C)s1 4814687 OEHVQKBYMNWYKB-UHFFFAOYSA-N 418.548 3.156 0 40 HGAB O=S(=O)(NCc1ccco1)c1cccc(NC(=S)NCCc2ccccc2)c1 5560353 QDKLOTSOZFYVNM-UHFFFAOYSA-N 415.540 3.287 0 40 HGAB Cn1c(=O)oc2cc(S(=O)(=O)Nc3ccc4c(c3)OC(C)(C)O4)c(Cl)cc21 6661219 KKLKKDFWTCQPOY-UHFFFAOYSA-N 410.835 3.093 0 40 HGAB O=C(COc1cccc(F)c1)Nc1sc2c(c1C(=O)N1CCOCC1)CCCC2 7214322 NYHREVSCSYIPTK-UHFFFAOYSA-N 418.490 3.256 0 40 HGAB C[C@@H](c1ccccc1)N1C[C@@H](C(=O)OCC(=O)Nc2ccc(Cl)cc2)CC1=O 7232477 XDXSOMBSAOKGRJ-HOCLYGCPSA-N 400.862 3.431 0 40 HGAB CCCCC(=O)NC(=S)Nc1ccc(N2CCN(C(=O)CC(C)C)CC2)cc1 7387187 MCOYYVZKDLBLLC-UHFFFAOYSA-N 404.580 3.385 0 40 HGAB CN(C(=O)Cn1cnc2c(cnn2-c2ccccc2)c1=O)[C@H]1CCCc2ccccc21 7426014 LIRUUJXPVWQTJN-NRFANRHFSA-N 413.481 3.118 0 40 HGAB Cc1cc(C(=O)CN2CCCCCCC2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 7486768 DIXOEHWTAZMSPI-UHFFFAOYSA-N 403.548 3.190 0 40 HGAB Cn1nc(-c2ccc(Cl)cc2)cc1NC(=O)Cn1nnc(-c2ccc(F)cc2)n1 7606944 FMUUDRDNOYOMOI-UHFFFAOYSA-N 411.828 3.172 0 40 HGAB COc1ccccc1N1CCN(C(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3)C2)CC1 7752159 IJJSVKVKODXQSK-LJQANCHMSA-N 422.529 3.288 0 40 HGAB C[C@]1(CSc2ccccc2C(=O)N2CC[C@@H]3CCCC[C@@H]3C2)NC(=O)NC1=O 8368564 CJMRDASYUVWUQU-PDSXEYIOSA-N 401.532 3.029 0 40 HGAB O=C(CSc1ccc2nnc(-c3cccc(F)c3)n2n1)Nc1ccc2c(c1)OCO2 9415029 HCHXPMOIMAHZOG-UHFFFAOYSA-N 423.429 3.390 0 40 HGAB Cc1ccc(CCCNC(=O)CN(c2ccc(Cl)cc2C)S(C)(=O)=O)cc1 10110451 QILUTYFXKOERJN-UHFFFAOYSA-N 408.951 3.472 0 40 HGAB C[C@H](C(=O)NCCSCc1ccccc1F)N(c1ccccc1)S(C)(=O)=O 10281045 SVFYAKIJOQEMIS-OAHLLOKOSA-N 410.536 3.030 0 40 HGAB CCOc1ccc([C@@H]2[C@@H](C(=O)Nc3ccccc3OC)[C@@H](C)Nc3ncnn32)cc1 11694806 VWKQDISTZBJYHL-VOBQZIQPSA-N 407.474 3.344 0 40 HGAB Cc1ccc(NC(=O)[C@H](C)N2CCC(NS(=O)(=O)c3cccs3)CC2)c(C)c1 11719561 XWIFJRJDBBQPLJ-INIZCTEOSA-N 421.588 3.135 0 40 HGAB Cc1cccc(Cn2cnc3c(cnn3CCNC(=O)CC3CCCCC3)c2=O)c1 12072227 ARILQGPETWOHIU-UHFFFAOYSA-N 407.518 3.036 0 40 HGAB COc1ccc2c(c1)CN(C(C)=O)C[C@@H]([C@H]1CCCN(Cc3ncccc3C)C1)O2 12135365 MPNYCVGVKOFFCV-CYFREDJKSA-N 409.530 3.420 0 40 HGAB CCOc1ccc(CN2CCN(c3ccccc3[C@@H](O)c3nccn3C)CC2)cc1 12143353 XIYQQWNMCSFDCW-HSZRJFAPSA-N 406.530 3.223 0 40 HGAB C[C@H](NC(=O)CCNC(=O)CCC(=O)c1cccs1)c1ccc(-n2ccnc2)cc1 12520784 VMBRCILCCGCOFI-INIZCTEOSA-N 424.526 3.280 0 40 HGAB C[C@@H]1Oc2ccccc2N(CC(=O)Nc2cc3c(cc2Cl)OCCCO3)C1=O 12877506 LEQRQUJUKSIJMJ-LBPRGKRZSA-N 402.834 3.254 0 40 HGAB CC(=O)N1CCCc2cc(S(=O)(=O)NCc3ccccc3OC(F)F)ccc21 12882282 MJYOFZPPSFPDMD-UHFFFAOYSA-N 410.442 3.066 0 40 HGAB Cc1ccc(NC(=O)CC[C@@H]2NC(=O)N(CCc3c[nH]c4ccccc34)C2=O)cc1 12892079 AIRLRNGTPKELRG-FQEVSTJZSA-N 404.470 3.358 0 40 HGAB biogenic CCC(CC)C(=O)N1CCC[C@H](c2nc(O)c3nnn(Cc4ccc(C)cc4)c3n2)C1 13083380 GOSSOKAXCZEJBT-SFHVURJKSA-N 422.533 3.426 0 40 HGAB COc1ccc(F)cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc2cccc(C)c2)C1 13580595 SVLOENVKNSFQEJ-HNNXBMFYSA-N 406.479 3.182 0 40 HGAB CC(C)OCCCNC(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1 14238525 KDXZVMMSRCVSKH-UHFFFAOYSA-N 411.340 3.233 0 40 HGAB CCCCc1nn2c(=O)cc(COC(=O)c3ccc(NC(=O)CC)cc3)nc2s1 15771874 DGJOTLZBDCUFND-UHFFFAOYSA-N 414.487 3.199 0 40 HGAB Cc1cccc(NC(=O)c2ccc(S(=O)(=O)N3CCc4ccccc4C3)cc2)n1 17135795 HMVJZKKJXASICJ-UHFFFAOYSA-N 407.495 3.389 0 40 HGAB CCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(Cl)cc2)c(NCC(C)C)s1 17316758 AEYJOLWCZZDYBO-UHFFFAOYSA-N 422.981 3.491 0 40 HGAB CC(=O)N1CCc2cc(S(=O)(=O)N3CCC[C@@H](c4nc5ccccc5[nH]4)C3)ccc21 19019253 WDYWDATYAKMBFI-QGZVFWFLSA-N 424.526 3.040 0 40 HGAB C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@@H](CN4CCN(C5CCCCC5)CC4)[C@H]3[C@@H](O)[C@@]21C 19369862 FXYPTAKKGKQTFF-AMBFMMJXSA-N 416.606 3.222 0 40 HGAB biogenic C[C@@H](CC(=O)NC1CCN(Cc2cc(-c3ccc(F)cc3)nn2C)CC1)n1ccnc1 19455460 MCXQUWZEPBJFBE-KRWDZBQOSA-N 424.524 3.155 0 40 HGAB CCNC(=O)[C@]1(Cc2ccccc2-c2cccs2)CCCN(C(=O)COC)C1 19528529 VKCHNQJNHBMWTN-QFIPXVFZSA-N 400.544 3.349 0 40 HGAB CCNC(=O)[C@]1(Cc2ccccc2-c2ccncc2)CCCN(C(=O)c2cc[nH]n2)C1 19528599 WOFCZSGQCCFRJG-DEOSSOPVSA-N 417.513 3.073 0 40 HGAB COc1cc(CN2CCC([C@H]3CNC(=O)c4ccccc43)CC2)cc(OC)c1OC 19549692 JJHXRAYUPDDPPC-HXUWFJFHSA-N 410.514 3.452 0 40 HGAB Cc1noc(C)c1C(=O)N[C@H](Cc1cc(=O)[nH]c(-c2cccnc2)n1)c1ccccc1 19580212 VJYBGAILYZCZSO-LJQANCHMSA-N 415.453 3.151 0 40 HGAB COc1ccc2c(c1)C=C(CN1CCO[C@H](c3ccc(-c4cncnc4)cn3)C1)CO2 19692545 HOZJXIPPATYTCK-DEOSSOPVSA-N 416.481 3.397 0 40 HGAB CN(C)C(=O)c1cc([C@@H]2CN(C(=O)CCc3ccccc3)CCO2)nc2ccccc12 19762891 DPHCYFNHMPSKJX-QHCPKHFHSA-N 417.509 3.469 0 40 HGAB Nc1nc(C2CCN(C(=O)C3CCCC3)CC2)ccc1C(=O)NCc1ccccc1 19766349 MWZYTAYPJGDLMA-UHFFFAOYSA-N 406.530 3.490 0 40 HGAB CCOC(=O)[C@H]1C(=O)N(CCCOC)c2nc3ccccc3n2[C@@H]1c1ccccc1C 19818449 HZVDMBJOQHTCBF-NHCUHLMSSA-N 421.497 3.497 0 40 HGAB COc1ccccc1NC(=O)CSc1nc(N)c2c3c(sc2n1)CN(C)CC3 20440112 YMWFPZQBSJLIEZ-UHFFFAOYSA-N 415.544 3.001 0 40 HGAB CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NC(C)C)cc1Cl 22269274 LYUIAGUZPGRBJP-SFHVURJKSA-N 424.950 3.153 0 40 HGAB CN1CCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)c2nc3ccccc3nc21 22503173 YSXGKRNOQYKMTD-CQSZACIVSA-N 421.888 3.119 0 40 HGAB COc1ccc([C@H](CNC(=O)c2cc(Cl)ccc2OC)N2CCN(C)CC2)cc1 22794384 NTWROXFYBKQPBK-FQEVSTJZSA-N 417.937 3.076 0 40 HGAB O=C(CN1CCN(Cc2cccc3ccccc23)CC1)Nc1ccc2c(c1)OCO2 22803139 SAZJLOSNUWZMBK-UHFFFAOYSA-N 403.482 3.325 0 40 HGAB Cc1nc(COc2ccccc2C(=O)Nc2cccc(C(=O)N3CCCC3)c2)no1 23151710 UYPQHZLHRPCRND-UHFFFAOYSA-N 406.442 3.445 0 40 HGAB CCCOc1ccccc1/C=c1\sc2nc([C@@H]3COc4ccccc4O3)nn2c1=O 26896334 VPOWIBXPRYRKLZ-IZILLXMLSA-N 421.478 3.000 0 40 HGAB COc1ccc(OCC(=O)N2CCCC[C@@H]2CCS(=O)(=O)c2ccccc2)cc1 27580361 OHQLCYBHXYBKBS-GOSISDBHSA-N 417.527 3.319 0 40 HGAB Cc1cccc(N2C[C@H](C(=O)N[C@@H](c3cccc(F)c3)c3nccn3C)CC2=O)c1C 29080383 DKFYOEMWLYPQJX-GCJKJVERSA-N 420.488 3.435 0 40 HGAB COc1ccc(OC)c(CN2CCN(C(=O)c3cc4ccc(OC)cc4[nH]3)CC2)c1 29984125 NTBJDLYIKKMFMW-UHFFFAOYSA-N 409.486 3.152 0 40 HGAB COc1cc(/C=C/C(=O)N2CCN(Cc3cc(F)ccc3OC)CC2)cc(OC)c1 30226997 LANDTSMXMQSFSV-QPJJXVBHSA-N 414.477 3.209 0 40 HGAB NC(=O)[C@@H]1CC(C(=O)N[C@H](c2ccccc2)c2cccs2)=NN1c1ccccc1 30864643 ITVOPAFUQFGZTG-AZUAARDMSA-N 404.495 3.074 0 40 HGAB COc1ccc(C(=O)CSc2ccc(S(=O)(=O)N3CCCCC3)cn2)cc1F 31747027 HAEBCCLZJITVDD-UHFFFAOYSA-N 424.519 3.379 0 40 HGAB CC(=O)c1cccc(N2C(SCc3ccccc3C)=N[C@@H]3CS(=O)(=O)C[C@H]32)c1 32641043 XUEQHIJITOJKFT-WOJBJXKFSA-N 414.552 3.473 0 40 HGAB O=C(Cn1cc(C(F)(F)F)ccc1=O)Nc1ccnn1Cc1cccc(Cl)c1 36627871 LGFBPOPSCXMCJG-UHFFFAOYSA-N 410.783 3.404 0 40 HGAB Cc1nc2ccccc2nc1COC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1 39580443 QEWMBNYZUOCYAR-UHFFFAOYSA-N 419.890 3.199 0 40 HGAB Cc1cccc(OCC(=O)N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)c1 40081516 CWPLPTDXTZPDOZ-UHFFFAOYSA-N 406.404 3.377 0 40 HGAB Cc1ccc(-c2ccc(=O)n(CCC(=O)N3CCN(c4ccccc4)CC3)n2)cc1C 41253187 NXZCXWCRAYLJLK-UHFFFAOYSA-N 416.525 3.266 0 40 HGAB O=C(NS(=O)(=O)c1ccc(Cl)nc1)c1ccc(COc2ccc(F)cc2)o1 42289466 WEYDKFDPHHKLSZ-UHFFFAOYSA-N 410.810 3.165 0 40 HGAB C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)Nc1cccc(-c2nc(CC)cc(=O)[nH]2)c1 49304294 IDRJIWSIRVJRLS-OAHLLOKOSA-N 414.465 3.453 0 40 HGAB O=C(CSc1nc2[nH]ncc2c(=O)n1-c1ccccc1)Nc1cc(F)cc(F)c1 51316706 WCVUVFYNKJDASI-UHFFFAOYSA-N 413.409 3.118 0 40 HGAB O=C(Nc1ccc(Cl)cn1)C1CCN(C(=O)Nc2ccc3c(c2)OCO3)CC1 56353189 MBJIZQRZQAGXDM-UHFFFAOYSA-N 402.838 3.346 0 40 HGAB C[C@H](NC(=O)COc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(F)cc1 65694384 WRYPTOALVIICDJ-INIZCTEOSA-N 420.506 3.257 0 40 HGAB CCc1ccc(-c2cc3c(=O)n(CC(=O)Nc4cccc(Cl)c4)ncn3n2)cc1 67208799 VRCWCJOGDYLEBS-UHFFFAOYSA-N 407.861 3.413 0 40 HGAB CCCN(CCC)C(=O)Cn1nc2c(Sc3ccc(C)cc3C)nccn2c1=O 67255593 FTIUQMCQTYGABQ-UHFFFAOYSA-N 413.547 3.308 0 40 HGAB Cc1nn(C2CCCC2)cc1/C=c1\sc2n(c1=O)[C@H]1C[C@@](C)(N=2)Oc2ccccc21 71785034 AIRUMFCUUBVLNT-AIVDSMMTSA-N 420.538 3.080 0 40 HGAB Cc1nc(O)c2nnn(C[C@H]3CCCN3C(=O)C3(c4ccccc4)CCCCC3)c2n1 72324963 CRMZPGVIEITOBQ-GOSISDBHSA-N 420.517 3.128 0 40 HGAB Cc1nccn1-c1cccc(C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)n1 72379174 INDLPWKBIHHBNB-UHFFFAOYSA-N 400.479 3.283 0 40 HGAB COc1ccc(OC)c(CN2CCC[C@H](c3cc(=O)[nH]c(-c4cccnc4)n3)C2)c1 72393086 CZPOZPKSNFGNBY-KRWDZBQOSA-N 406.486 3.229 0 40 HGAB CS(=O)(=O)N1CCc2nc(NC(=O)Nc3ccccc3C(F)(F)F)sc2C1 77155509 WSCINUQKNIDNRJ-UHFFFAOYSA-N 420.438 3.124 0 40 HGAB Cc1ccc(Cl)cc1NC(=O)C(=O)N1CCC[C@@H]1c1nnc2n1CCCCC2 79101388 YVISKMWFJRFMRV-MRXNPFEDSA-N 401.898 3.269 0 40 HGAB CC(C)c1nc(Cn2c(=O)c(Br)cn(Cc3ccccc3)c2=O)cs1 89893571 SVVITTYWXKYHIW-UHFFFAOYSA-N 420.332 3.449 0 40 HGAB Cc1ccc(C(=O)NC[C@H]2CC[C@H](C(=O)NCCN3CCc4ccccc43)CC2)cn1 100766693 VTEXIYDXTHIOKK-TYKWCNGQSA-N 420.557 3.105 0 40 HGAB Cc1cc2sc(NC(=O)[C@@H](C)N3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)nc2cc1Cl 100774917 CHBGUNFSPXSJKF-OWWRBYITSA-N 415.902 3.392 0 40 HGAB O=C(NCCSc1ccccc1)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 219748609 OHELBDMMWSDKRI-GOSISDBHSA-N 424.975 3.402 0 40 HGAB CCCCNC(=O)c1cc(OC)c(OC)cc1N(C)S(=O)(=O)c1ccc(C)cc1 223391267 CLSJTHZGRRYQEI-UHFFFAOYSA-N 420.531 3.367 0 40 HGAB CCOc1cc(CNS(=O)(=O)c2ccc(Br)cc2)ccc1OC 223696950 XPURGQLJCAUGST-UHFFFAOYSA-N 400.294 3.335 0 40 HGAB COc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)C(C)C)c2ccccc2)cc1OC 225197311 LJQHSGBADKCIRS-INIZCTEOSA-N 420.531 3.060 0 40 HGAB O=S(=O)(NC[C@@](O)(c1ccco1)c1cccs1)c1ccc(F)c(Cl)c1 225589798 XTCOFALMHGASJZ-MRXNPFEDSA-N 401.868 3.348 0 40 HGAB Cc1cc(C)cc(N(CN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@H]3C2=O)C(=O)C(F)(F)F)c1 226401000 GEIPTPIPTRNSCC-BLONOQDTSA-N 418.415 3.209 0 40 HGAB Cc1cc(CN2[C@H]3CC[C@H]2c2cnc(N4CCC[C@H](CO)C4)nc2C3)cc(C)c1O 247921667 OFUPXHVYBHZZNV-JLMWRMLUSA-N 408.546 3.270 0 40 HGAB Cc1cc(N2CCO[C@@H](c3cc(CCOc4ccc(F)c(F)c4)[nH]n3)C2)nc(C)n1 257221837 DQSLUGCATHKXPX-HXUWFJFHSA-N 415.444 3.294 0 40 HGAB Cc1ccc(-c2ccc3c([C@@H]4CN(C(=O)c5cccn5C)CCN4C)nnn3c2)cc1 306142726 XHMTUUZITILUST-QFIPXVFZSA-N 414.513 3.172 0 40 HGAB CC1CCN(C(=O)COc2ccc(S(=O)(=O)N3CCCCC3)cc2Cl)CC1 408558866 SUHAEBNHUCMIFG-UHFFFAOYSA-N 414.955 3.152 0 40 HGAB CC(C)CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1 408592392 KDJYMUGYXGPLKH-QGZVFWFLSA-N 404.532 3.047 0 40 HGAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccc(OC)cc2)cc1Cl 408606988 POPMZNSVSNMGQO-GFCCVEGCSA-N 412.895 3.053 0 40 HGAB O=C(c1cnc2ccccc2n1)N1CC[C@H](c2ccccc2Cl)S(=O)(=O)CC1 575617320 NUOUDVRVCWCLDK-LJQANCHMSA-N 415.902 3.285 0 40 HGAB CC(=O)N1CCCCCCCN(CC(=O)NCCCCCO)Cc2ccccc21 643575863 RCHOIYYZEAZNCA-UHFFFAOYSA-N 403.567 3.084 0 40 HGAB CN(Cc1cnc2n1CCOC21CCN(C(=O)[C@]2(C)CC=CCC2)CC1)CC1CC1 1565555509 BZIOPGLZMXUUIZ-HSZRJFAPSA-N 412.578 3.319 0 40 HGAB CN(C)S(=O)(=O)N1CCC[C@H](c2cccc(-c3cnc4ccc(Cl)cn34)n2)C1 1615526020 NKHDQWIWABJFQZ-AWEZNQCLSA-N 419.938 3.036 0 40 HGAB CCCc1ccc(N2C[C@H](C(=O)N3C[C@@H](O)[C@H](Cc4ccccc4)C3)CC2=O)cc1 1637247800 MDWOUECFGWVTSA-MQSCRBSSSA-N 406.526 3.054 0 40 HGAB COc1ccccc1N(CC(=O)Nc1cccnc1)S(=O)(=O)c1ccc(C)cc1 916267 WTXBNJGKMLGSEI-UHFFFAOYSA-N 411.483 3.233 0 40 HGAB CC(C)Cn1c(N)c(C(=O)NCc2ccc3c(c2)OCO3)c2nc3ccccc3nc21 2435723 NHNOZCLBIOCTDY-UHFFFAOYSA-N 417.469 3.481 0 40 HGAB CCOC(=O)COc1cccc2c(=O)n(CC(=O)Nc3cc(C)cc(C)c3)ccc12 2712211 QUOCMJFSHMIOIN-UHFFFAOYSA-N 408.454 3.199 0 40 HGAB Cc1cc(C(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)c(C)n1Cc1ccco1 3354285 NZFQXAAFKGYZJR-QHCPKHFHSA-N 405.454 3.396 0 40 HGAB CCOc1ccc(C(=O)[C@H](C)OC(=O)c2ccc3c(=O)n4c(nc3c2)CCC4)cc1 3420167 RBXMMROYMTYNCQ-AWEZNQCLSA-N 406.438 3.170 0 40 HGAB C[C@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)N2CCc3ccccc3C2)C1=O 3486478 WXTGTQIXMHKJHJ-RUZDIDTESA-N 413.477 3.192 0 40 HGAB Cc1cn2c3c(=O)[nH]c(=O)n(C)c3nc2n1CCC(c1ccccc1)c1ccccc1 4314863 NCTJCYNXENKLSS-UHFFFAOYSA-N 413.481 3.207 0 40 HGAB CCOC(=O)C(=O)Nc1nc(-c2ccc3c(c2)CCN3C(=O)[C@@H](C)CC)cs1 4894168 YCVCZESBUSBGML-LBPRGKRZSA-N 401.488 3.247 0 40 HGAB Brc1ccccc1C1=Nn2c(nnc2-c2n[nH]c3c2CCC3)SC1 5928554 LINOPPFFAWCMNP-UHFFFAOYSA-N 401.293 3.278 0 40 HGAB CN(C)CCN(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C(=S)Nc1ccccc1 6135739 BIVLJPBCLNYIKB-UHFFFAOYSA-N 424.526 3.017 0 40 HGAB CCN(Cc1ccncc1)C(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1 6147055 HXSRUCHUEGCERD-UHFFFAOYSA-N 401.532 3.227 0 40 HGAB COc1ccc(NC(=O)c2ccccn2)cc1NS(=O)(=O)c1ccc(F)cc1 6178375 JCJAEKZXSXWCNW-UHFFFAOYSA-N 401.419 3.282 0 40 HGAB COc1ccc(S(=O)(=O)N(CC(=O)NCCC(C)C)c2ccccc2OC)cc1 6306683 NNMMXQHVPNGNRG-UHFFFAOYSA-N 420.531 3.061 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCSc3ccccc3)CC2)cc1 6454299 AFVCYYAWBSKVCW-UHFFFAOYSA-N 404.557 3.010 0 40 HGAB CC(C)[C@@H](NC(=O)OC(C)(C)C)c1nnc(S(=O)(=O)Cc2cccc(F)c2)o1 6633692 MLCFSHIKRQNMKY-CQSZACIVSA-N 413.471 3.404 0 40 HGAB Cc1ccn2cc(C(=O)Nc3ccc(C)c(S(=O)(=O)N4CCCCC4)c3)nc2c1 6653837 CSOHPKJDOUQTJQ-UHFFFAOYSA-N 412.515 3.378 0 40 HGAB C[C@H](Oc1cc2oc(=O)c3c(c2cc1Cl)CCC3)C(=O)NCCCn1ccnc1 6660027 TZWDQBJQUINVNF-ZDUSSCGKSA-N 415.877 3.105 0 40 HGAB CCOCCCNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 6957822 VQRPCOSRBIQBAC-UHFFFAOYSA-N 424.950 3.074 0 40 HGAB COc1ccc([C@H](NC(=O)Cn2nnc(-c3ccc(F)cc3)n2)c2ccccc2)cc1 7490214 UNNYIQUZYQJEFA-JOCHJYFZSA-N 417.444 3.394 0 40 HGAB COc1ccc(Cl)cc1N1C[C@H](C(=O)OCC(=O)Nc2ccc(C)cc2)CC1=O 7537118 AEFLQJBXPCDRHB-CQSZACIVSA-N 416.861 3.192 0 40 HGAB O=C([C@H]1CN(C(=O)/C=C/c2ccc3c(c2)OCO3)c2ccccc2O1)N1CCCCC1 7825329 GAARQVSHTFAMFX-XBFAEUMISA-N 420.465 3.235 0 40 HGAB CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)N2CCC[C@H]3CCCC[C@@H]32)c1 7989756 ZVPGKCJAPSIUAV-XLIONFOSSA-N 419.591 3.332 0 40 HGAB O=C(c1ccccc1)c1ccc(NC(=O)[C@@H]2CCCO2)c(NC(=O)[C@@H]2CCCO2)c1 8189524 KDZBHXJCPRSRRW-PMACEKPBSA-N 408.454 3.153 0 40 HGAB C[C@@H](Sc1nnc(-c2ccc(Cl)cc2)n1N)C(=O)Nc1ccc(Cl)cn1 8724741 ACAJNHNWKQMWGC-SECBINFHSA-N 409.302 3.480 0 40 HGAB COCCOC(=O)C1=C(C)N(c2ccccc2)C(=O)N[C@@H]1c1ccc(C(=O)OC)cc1 8861398 WHOZMNTWXUFOKZ-HXUWFJFHSA-N 424.453 3.208 0 40 HGAB CCOC(=O)N1CCN(c2ncnc3c2cnn3-c2ccc(C)c(Cl)c2)CC1 9518700 DGOFZLVQKYSBHI-UHFFFAOYSA-N 400.870 3.056 0 40 HGAB COc1ccccc1CC(=O)N[C@@H]1C[C@]2(CCC(=O)N(C)CC2)Oc2ccccc21 12086407 MTJAQKYAOBYBAC-NTKDMRAZSA-N 408.498 3.259 0 40 HGAB COc1ccc(C(=O)Nc2cc(C3CC3)nn2-c2nc(C(C)C)cc(=O)[nH]2)cc1OC 12126044 UDEGCXFSGFLYGP-UHFFFAOYSA-N 423.473 3.226 0 40 HGAB COc1cccc(CC(=O)N2CCC[C@@H]2Cn2nc(-c3cccs3)ccc2=O)c1 12145205 RZEJCEYPDSVSLS-QGZVFWFLSA-N 409.511 3.214 0 40 HGAB Cc1cc(C)cc(N2C[C@@H](C(=O)N3CCC[C@H](c4nnc5ccccn45)C3)CC2=O)c1 12409859 KUKSPAPPKZPDBX-OALUTQOASA-N 417.513 3.105 0 40 HGAB CCC[C@@H]1O[C@@H]2C[C@@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)O)O1 12655283 GHPORMLBYXHFAV-VFFDGNEXSA-N 416.514 3.240 0 40 HGAB biogenic Cc1cc(N2CCN([C@H](C)C(=O)Nc3c(F)cccc3F)CC2)nc(C(C)C)n1 12756216 BPOWCXAUNHKJNC-OAHLLOKOSA-N 403.477 3.336 0 40 HGAB O=C(NCCN1CCOCC1)c1cc(-c2ccc(Cl)cc2)nn1-c1ccccc1 12765035 AUBDZJYDMOMHSP-UHFFFAOYSA-N 410.905 3.255 0 40 HGAB C[C@@H](NC(=O)c1ccccc1NC(=O)c1cccc(-n2cnnn2)c1)c1ccccc1 12788256 AHCKXCFOAKNTTG-MRXNPFEDSA-N 412.453 3.406 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC(C(=O)Oc3cccc(C)c3)CC2)cc1OC 12866948 SCELOIRPGSXNET-UHFFFAOYSA-N 419.499 3.019 0 40 HGAB C[C@H]1CN(CCCNC(=O)c2cccc(NC(=O)c3cccs3)c2)C[C@H](C)O1 12912229 QDQHWLNSRKMVKL-HOTGVXAUSA-N 401.532 3.230 0 40 HGAB COc1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3cccs3)C2)cc1NC(C)=O 12982390 XIIBSVLSKASYJM-CQSZACIVSA-N 401.488 3.206 0 40 HGAB COC(=O)CN1C(=O)N(c2ccccc2)[C@H](N(O)C(=O)Nc2ccccc2)C1(C)C 13116119 DOOWTBWLAJPLCO-GOSISDBHSA-N 412.446 3.130 0 40 HGAB CC(=O)c1cccc(NC(=O)c2ccc(N3C(=O)[C@H](C)CS3(=O)=O)cc2Cl)c1 15858449 IWUZKFNFAVOGMQ-LLVKDONJSA-N 420.874 3.107 0 40 HGAB Cc1ccc(-c2ccc(OCCNS(=O)(=O)c3cccc(Cl)c3)nn2)cc1 17051767 QOJCYDHPJMFMSC-UHFFFAOYSA-N 403.891 3.463 0 40 HGAB Cc1ccc2c(c1)C(=O)N(CC(=O)N1CCC[C@H](C)[C@H]1C)CC1(CCOCC1)O2 19218687 MMZKHPCLANAURL-ZWKOTPCHSA-N 400.519 3.026 0 40 HGAB Cc1nc([C@H]2CCCN2C(=O)c2ccc3c(c2)OCO3)[nH]c(=O)c1Cc1ccccc1 19579386 BUCIKEXVRFMIPH-LJQANCHMSA-N 417.465 3.375 0 40 HGAB CCn1cnc2sc(C(=O)NCCc3cn(C)c4ccc(F)cc34)c(C)c2c1=O 19717368 HWRZSHIEFLVJHO-UHFFFAOYSA-N 412.490 3.390 0 40 HGAB Cc1nc(C2CCN(C(=O)c3ccncc3)CC2)ncc1C(=O)Nc1ccccc1 19766413 FZEHILWZXHQGSU-UHFFFAOYSA-N 401.470 3.452 0 40 HGAB C[C@H](NC(=O)CN(C1CCCCC1)S(C)(=O)=O)c1ccc(Br)cc1 20013268 KZQNYFZZCAOCFZ-ZDUSSCGKSA-N 417.369 3.221 0 40 HGAB Cc1cc(C)c2oc(=O)cc(CN3CCN(Cc4ccc5c(c4)OCO5)CC3)c2c1 20412486 GSKDYWTUAIWEMG-UHFFFAOYSA-N 406.482 3.456 0 40 HGAB biogenic O=C(CN1CCN2CCC[C@@H]2C1)Nc1nc(-c2ccc(Br)cc2)cs1 23477217 ALOYOTUGGBJXNF-OAHLLOKOSA-N 421.364 3.291 0 40 HGAB CC(C)c1noc2ncc(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)cc12 25139374 WPFOAQMDPMVHBC-UHFFFAOYSA-N 408.458 3.033 0 40 HGAB COc1ccc(-c2nnc([C@H](C)OC(=O)CCNC(=O)c3ccccc3C)o2)cc1 25217713 CJLAARUGYHISNL-HNNXBMFYSA-N 409.442 3.478 0 40 HGAB CCOc1ccc(NCC(=O)Nc2ccccc2C)cc1S(=O)(=O)N1CCCC1 29936845 ZGIRMLPFQSTCEY-UHFFFAOYSA-N 417.531 3.229 0 40 HGAB Cc1ccc(NC(=O)[C@H](C)OC(=O)C2CCN(C(=O)OCC(F)(F)F)CC2)cc1 32869282 ICJGYGZRDCKFQC-ZDUSSCGKSA-N 416.396 3.276 0 40 HGAB CCCCn1nc(C(=O)OCCCn2c(=O)[nH]c3ccccc32)c2ccccc2c1=O 32910775 IQINDZKKSAKXLL-UHFFFAOYSA-N 420.469 3.087 0 40 HGAB CC(C)[C@@H](C(=O)Nc1ccc(F)c(NS(C)(=O)=O)c1)n1cnc2ccccc21 32932579 WINLFKURDXUYDA-SFHVURJKSA-N 404.467 3.383 0 40 HGAB CC(=O)Nc1ccc(S(=O)(=O)N(Cc2ccco2)c2ccc3c(c2)OCO3)cc1 35623052 SLVHYTGMFSAFGG-UHFFFAOYSA-N 414.439 3.362 0 40 HGAB COc1ccc(OC)c(NC(=O)c2cc(-n3cnnc3)ccc2Br)c1 35684188 GWWNGTQOUVZBKA-UHFFFAOYSA-N 403.236 3.299 0 40 HGAB COC(=O)[C@H]1CCCCN1C(=O)c1sc(-c2ccc(OC)c(OC)c2)nc1C 42647740 RDQNLRJPCUMZGK-CQSZACIVSA-N 404.488 3.303 0 40 HGAB CN1CCCN(c2ccc(CNC(=O)Cc3csc(-c4ccccc4)n3)cn2)CC1 48263886 MQZAZYHMUATQOG-UHFFFAOYSA-N 421.570 3.206 0 40 HGAB CCCCNC(=O)Cn1cnc2sc(-c3nc(-c4ccccc4)no3)c(C)c2c1=O 49421740 DMSHPLXLROEVMI-UHFFFAOYSA-N 423.498 3.400 0 40 HGAB COc1ccc2c(c1)CCC[C@]21NC(=O)N(CN(C)CCOc2ccc(C)cc2)C1=O 49612957 OVVBFTOCFNINIY-DEOSSOPVSA-N 423.513 3.055 0 40 HGAB Cc1cc(NC(=O)[C@@H](C)SCC(=O)N2CCC[C@H]2CN(C)c2ccccc2)no1 58283356 PKXGCODGCWOWTB-AEFFLSMTSA-N 416.547 3.171 0 40 HGAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCC(C)(C)C[C@H](C)O)c2)cc1F 72304194 VZFCDQZQEGNGAV-HNNXBMFYSA-N 422.522 3.462 0 40 HGAB Nc1ncc(-c2ccc(C(F)(F)F)cc2)c([C@H]2CCCN2C(=O)c2cc[nH]n2)n1 72354873 YQYIUCICPJKTPH-OAHLLOKOSA-N 402.380 3.445 0 40 HGAB Cc1cc(Nc2cccc([C@H]3CCCN(C(=O)c4n[nH]c5c4CCCC5)C3)n2)[nH]n1 72382898 NQYFSMABIYGQFF-HNNXBMFYSA-N 405.506 3.478 0 40 HGAB O=C(N[C@H]1CCSc2c(F)cccc21)c1cccnc1S(=O)(=O)C(F)(F)F 84445655 XAVDCCOGEYTXSR-LBPRGKRZSA-N 420.409 3.481 0 40 HGAB O=C(c1ccc[nH]1)c1cc(Cl)ccc1NC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 89767970 BVMRCBNCWZOCOE-JTQLQIEISA-N 413.783 3.248 0 40 HGAB CC(C)Cc1ccc([C@@H](C)NC(=O)CN2CCC3(CC2)SCC(=O)N3C)cc1 95469402 MHJASUGTGGKYBA-QGZVFWFLSA-N 403.592 3.060 0 40 HGAB O=C(NC[C@@H](Cc1ccccc1)NC(=O)c1coc(C2CC2)n1)c1coc(C2CC2)n1 95942146 OCXFRSUFNLYMFT-QGZVFWFLSA-N 420.469 3.189 0 40 HGAB COC(=O)C[C@@H](c1ccc(O)c(OC)c1)c1c(O)n[nH]c1Cc1ccc(OC)cc1 96115003 OJRHUIRROVTQQN-INIZCTEOSA-N 412.442 3.124 0 40 HGAB biogenic O=C(C[C@H](Cn1cnnn1)c1ccc(Cl)cc1)NCCSc1ccccc1 96117607 GRKSZAOGFJYAMM-MRXNPFEDSA-N 401.923 3.409 0 40 HGAB Cc1nc(-c2cc(C(=O)N3CC[C@H](N(C)C)C3)c3ccccn23)cn1-c1ccccn1 96154975 LDTAULXXKZEKIB-SFHVURJKSA-N 414.513 3.272 0 40 HGAB COc1ccc(N2CCC[C@H](C(=O)NCCc3c[nH]c4ccc(Cl)cc34)C2)nn1 96231601 YTCAFWVOHNGVLY-HNNXBMFYSA-N 413.909 3.195 0 40 HGAB CCc1ccc(N(CN2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@H]3C2=O)C(=O)C(F)(F)F)cc1 100395426 RFOFHNPTHLVBIS-NWCWSAAOSA-N 418.415 3.155 0 40 HGAB COC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(Br)cc1 113881604 YEWFFSVHCSQGES-UHFFFAOYSA-N 412.305 3.434 0 40 HGAB CC(C)Oc1ccc(CNC(=O)[C@H](C)N(c2ccccc2F)S(C)(=O)=O)cc1 113957155 NHMPNTNQBLYVFT-HNNXBMFYSA-N 408.495 3.084 0 40 HGAB COc1ccc(NC(=O)CN(c2ccc(C(F)(F)F)cc2)S(C)(=O)=O)cc1 220039834 DPMVZYYZQVAUHX-UHFFFAOYSA-N 402.394 3.119 0 40 HGAB CCOc1ccccc1NC(=O)[C@@H](CC)N(c1cccc(OC)c1)S(C)(=O)=O 220611956 ZZCGHELXKBVBTK-GOSISDBHSA-N 406.504 3.277 0 40 HGAB CCOc1ccc(N([C@@H](CC)C(=O)Nc2cccc(OC)c2)S(C)(=O)=O)cc1 220663780 RWMKSGUUWUHJLT-IBGZPJMESA-N 406.504 3.277 0 40 HGAB CS(=O)(=O)N(CCCC(=O)NCCCc1ccccc1)c1ccc(F)c(F)c1 222681469 MUSMKIGIZZLCRM-UHFFFAOYSA-N 410.486 3.260 0 40 HGAB CSc1ccc(S(=O)(=O)N(C)Cc2ccco2)cc1C(=O)N1CCCCC1 223892248 GAXFPTDSUWXRNS-UHFFFAOYSA-N 408.545 3.448 0 40 HGAB Cc1ccc(N(CC(=O)NCCOc2ccc(C)c(Cl)c2)S(C)(=O)=O)c(C)c1 224129043 ZUDPEZWPMBIINM-UHFFFAOYSA-N 424.950 3.226 0 40 HGAB CCC(=O)N1CCc2cc(S(=O)(=O)N[C@@H](C)c3cc(OC)ccc3OC)ccc21 225391339 DTAKURCVNFFLBC-AWEZNQCLSA-N 418.515 3.042 0 40 HGAB CNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)COc1ccc(F)cc1 225494897 QUTVAYCNBRMEGA-ZDUSSCGKSA-N 423.282 3.130 0 40 HGAB CSc1ccccc1NC(=O)C(=O)NC[C@@](O)(c1ccoc1)c1cccs1 244983920 IXOXUKINCVPNLB-LJQANCHMSA-N 402.497 3.054 0 40 HGAB O=C(O)c1ccc(-c2ccc(/C=N/N3C(=O)[C@@H]4[C@H]5C=C[C@@H]([C@@H]6C[C@H]56)[C@H]4C3=O)o2)cc1 253577850 XOMOWQNKHCBBLX-HBJARIJESA-N 402.406 3.032 0 40 HGAB CCN1CCN(Cc2[nH]cnc2C)C[C@@H](Cc2ccccc2-c2cccnc2)C1=O 257264225 LTLVIWURYDMSAT-OAQYLSRUSA-N 403.530 3.303 0 40 HGAB CN(C)c1ncc(CN2CCO[C@@H](c3cccc(Cc4ccccc4F)n3)C2)cn1 257265556 LZDUKCVRROMLFH-JOCHJYFZSA-N 407.493 3.241 0 40 HGAB CC(C)CN1C(=O)C2(CCN(C(=O)c3cnccn3)CC2)C[C@H]1Cc1ccc(F)cc1 257302804 SEMJVTYDRZKJNE-HXUWFJFHSA-N 424.520 3.338 0 40 HGAB CS(=O)(=O)N1CCC(N2CCC[C@H](c3ncc(Cc4ccccc4F)o3)C2)CC1 257303254 SGJZJLPYZCZOOF-KRWDZBQOSA-N 421.538 3.008 0 40 HGAB COc1cc2c(cc1CN1CC[C@@H](c3n[nH]cc3-c3ccnc(N)c3)C1)OCCCO2 257319226 VRJRGUXSSZWPTA-MRXNPFEDSA-N 421.501 3.213 0 40 HGAB O=C1N(CC2CCOCC2)C[C@@]2(F)CN(Cc3cccc4ccccc34)C[C@@]12F 306131555 KINARBYHLZEIFB-XZOQPEGZSA-N 400.469 3.341 0 40 HGAB C[C@@H](C(=O)Nc1ccccc1C(=O)NC(C)(C)C)N(c1ccccc1)S(C)(=O)=O 408619178 MVGKVVVSZUNXRB-HNNXBMFYSA-N 417.531 3.008 0 40 HGAB Cc1ccc(N(CC(=O)NCc2ccccc2Cl)S(C)(=O)=O)cc1Cl 409124601 BRYBCHPCQDGVIN-UHFFFAOYSA-N 401.315 3.384 0 40 HGAB O=C1N/C(=C/c2ccc(I)cc2)C(=O)N1Cc1ccccc1 409238193 LZMGCFZIXFPFOF-XNTDXEJSSA-N 404.207 3.384 0 40 HGAB Cc1ccc(-n2c(Cc3ccccc3)nnc2SCCNS(C)(=O)=O)c(C)c1 518075832 LBNOTCCNWSHYIU-UHFFFAOYSA-N 416.572 3.116 0 40 HGAB O=C(Cc1ccccn1)N1CCC2(CC1)CN(Cc1ccccc1)C[C@]21CCOC1 585113452 IZIJXUGNGWMVOB-VWLOTQADSA-N 405.542 3.155 0 40 HGAB O=C(CSc1ccc(F)cc1)N1CC[C@@H](Oc2ncc(Br)cn2)C1 585147140 NJTLBHSTLNDNBH-CYBMUJFWSA-N 412.284 3.150 0 40 HGAB CC(C)(C)c1nccc(C[C@@H]2[C@@H](CO)[C@H](O)C[C@H]2NCc2cccc(Cl)c2)n1 604382208 KUEIIYWHMSNCQM-UAFMIMERSA-N 403.954 3.118 0 40 HGAB biogenic,in-vitro Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)N3CCc4nc[nH]c4C3)cc2)c1 646261314 CFFOBOOELNUTIE-UHFFFAOYSA-N 410.499 3.026 0 40 HGAB C[C@@H]1CN(C(=O)C(C)(C)c2ccc3ccccc3c2)CCN1c1nccn2cnnc12 676379773 XHRRJACUYLLSNT-QGZVFWFLSA-N 414.513 3.292 0 40 HGAB CS(=O)(=O)c1ccc(CCC(=O)NC[C@@H](O)c2ccc(-c3ccco3)cc2)cc1 1775966596 NTKKAWKYCVTKOP-HXUWFJFHSA-N 413.495 3.133 0 40 HGAB O=C(c1ccc2nccnc2c1)N1CC(n2nc(-c3ccc(Cl)cc3)ccc2=O)C1 1775973886 JHCQNIGBRVLDMI-UHFFFAOYSA-N 417.856 3.204 0 40 HGAB Cc1ccc(OC[C@@]2(O)CCCN(C(=O)CCn3cnc4ccccc43)C2)cc1C 2037913066 NXUXMJSSLLFQRG-XMMPIXPASA-N 407.514 3.476 0 40 HGAB COC(=O)[C@](NNc1cccc(Cl)c1)(NC(=O)c1ccccc1C)C(F)(F)F 2050383 HXDBZZACZUCUJH-QGZVFWFLSA-N 415.799 3.427 0 40 HGAB CCOc1ccc(-c2nnc(SCC(=O)Nc3ccc(Cl)cc3)n2N)cc1 2220843 SQYHWBRJUKHGEP-UHFFFAOYSA-N 403.895 3.442 0 40 HGAB CC1(C)O[C@H]2[C@@H](O1)[C@@H](C(=O)Oc1ccc3ccccc3c1)O[C@@H]1OC(C)(C)O[C@H]21 2665375 ZDCHMLLJWMHZBP-ZMIKWESLSA-N 400.427 3.142 0 40 HGAB biogenic CCOC(=O)c1sc2ncn3nc(-c4ccc(Cn5cccn5)o4)nc3c2c1C 2791122 YILJUVOAYZYIMI-UHFFFAOYSA-N 408.443 3.329 0 40 HGAB CCc1ccc2nc(NC(=O)CN3C(=O)N[C@]4(CCCC[C@H]4C)C3=O)sc2c1 3324804 BAVLPEXGJQPLHH-ODXCJYRJSA-N 400.504 3.298 0 40 HGAB CCCn1c(=O)c2ccccc2n2c(SCC(=O)NCc3ccc(C)cc3)nnc12 3375465 HZCAEWOYGACNJJ-UHFFFAOYSA-N 421.526 3.171 0 40 HGAB COCCn1c(SCC(=O)N2c3ccccc3C[C@H]2C)nc2ccccc2c1=O 3437219 QLLLOFXORVMEAO-OAHLLOKOSA-N 409.511 3.113 0 40 HGAB CCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccc(F)cc3)cc2)CC1 4121721 FICSDCWDGIQYMY-UHFFFAOYSA-N 414.506 3.011 0 40 HGAB O=C(Nc1c2c(nn1-c1ccccc1)CS(=O)(=O)C2)c1c(F)cccc1Cl 4224357 KJJNGGQMIKNCTI-UHFFFAOYSA-N 405.838 3.346 0 40 HGAB Cc1ccc(S(=O)(=O)Nc2cncc(C(=O)Nc3ccc4c(c3)OCO4)c2)cc1 4270206 OJTPKWNNVNJURN-UHFFFAOYSA-N 411.439 3.172 0 40 HGAB CCN(CC)c1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)c1cccnc1 5602073 LIQFJUFBFZNHHP-UHFFFAOYSA-N 404.536 3.211 0 40 HGAB CCOC(=O)c1c(NC(=O)[C@@H](C)Oc2cccc(Cl)c2)sc(C(N)=O)c1C 6047098 LCPSDHGSJOMIFL-SNVBAGLBSA-N 410.879 3.392 0 40 HGAB Cc1ccc(C)c(NC(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)c1 6628298 GIDLCFZMDXATJT-IAGOWNOFSA-N 402.516 3.354 0 40 HGAB CCS(=O)(=O)c1ccccc1C(=O)O[C@H](C(=O)N1CCCC1)c1ccccc1 7073902 JTRMPBUEUIZFGS-IBGZPJMESA-N 401.484 3.001 0 40 HGAB CN(CC(=O)Nc1ccccc1Cl)C(=O)CSc1nc(-c2ccccc2)n[nH]1 7472425 YADJXFYCFYUUCJ-UHFFFAOYSA-N 415.906 3.314 0 40 HGAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)N(C)Cc1sccc1C 8262705 WDRLVFCAOWYVOB-HNNXBMFYSA-N 409.577 3.074 0 40 HGAB CC[C@H](Sc1nc(C)c(CC(C)C)[nH]1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 9191496 SZMKFZSPMKDBBW-INIZCTEOSA-N 410.565 3.073 0 40 HGAB NS(=O)(=O)c1ccc(-n2nc(-c3ccc(Cl)cc3Cl)cc2C(=O)O)cc1 9283005 QPISWNVSSNQEQN-UHFFFAOYSA-N 412.254 3.192 0 40 HGAB Cn1c(=O)n(Cc2ccccc2)c(=O)c2c1nc1n2CCCN1c1ccc(Cl)cc1 9292659 BWUKOWZQNRFMEC-UHFFFAOYSA-N 421.888 3.140 0 40 HGAB COc1ccc(-c2ncc(CN(Cc3ccc4c(c3)OCO4)C[C@H](C)O)cn2)cc1 12185837 YQKBUDPBVWVKRR-INIZCTEOSA-N 407.470 3.264 0 40 HGAB Cc1nonc1CC(=O)N1CCC[C@@H]1c1cc2nc(C(C)C)cc(C(F)(F)F)n2n1 12230382 PEFPTNUTBOKVKR-OAHLLOKOSA-N 422.411 3.469 0 40 HGAB Cc1ccc(NS(=O)(=O)c2ccc(C(=O)NC3CCN(C(C)C)CC3)cc2)cc1 12560883 COAXDZQGPTWDDJ-UHFFFAOYSA-N 415.559 3.398 0 40 HGAB O=C(COC(=O)Cn1cnc2ccccc21)Nc1ccc(Br)cc1F 12659032 BGRLRQNXBFNSNX-UHFFFAOYSA-N 406.211 3.120 0 40 HGAB CCN(CC)[C@H](CNC(=O)CCNC(=O)c1ccsc1)c1cccc(OC)c1 12751287 KWMUWGXWPMYYHO-LJQANCHMSA-N 403.548 3.076 0 40 HGAB COC(=O)c1cccc(NC(=O)c2cn(C)nc2-c2ccc3c(c2)OCCCO3)c1 12997883 AADZUGQMRWNPKC-UHFFFAOYSA-N 407.426 3.287 0 40 HGAB O=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1cc(Cl)c2c(c1)OCO2 13110111 XRIRWGDCRHXXQX-UHFFFAOYSA-N 422.890 3.496 0 40 HGAB COc1cc(SC)ccc1C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1O 14245510 DUKZDDGJFWWQAI-UHFFFAOYSA-N 422.528 3.160 0 40 HGAB CCN(Cc1ccccc1)C(=O)c1ccc(N2C(=O)[C@H](C)CS2(=O)=O)cc1Cl 15858330 QUYURYUZKMIMNF-CQSZACIVSA-N 420.918 3.315 0 40 HGAB CC(C)[C@@H](NC(=O)[C@H](C)Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1)C(=O)O 16028313 DFGVBCRALAMJNR-LHSJRXKWSA-N 409.438 3.453 0 40 HGAB biogenic O=C(CN1C(=O)S/C(=C\C=C\c2ccccc2)C1=O)Nc1ccc(O)cc1C(=O)O 16921283 RSDMXMHRXFLXEY-GUSDSWBTSA-N 424.434 3.322 0 40 HGAB CCCS(=O)(=O)N1CCCc2ccc(NC(=O)COc3ccc(F)cc3)cc21 17286461 BBNFBHFGQLCTFB-UHFFFAOYSA-N 406.479 3.336 0 40 HGAB CC(C)C(=O)N1CCO[C@](Cc2ccccc2-c2ccc(F)cc2)(C(=O)N(C)C)C1 19085847 XIEIADXFGOQPRA-DEOSSOPVSA-N 412.505 3.377 0 40 HGAB O=C1[C@@H]2[C@H](C(=O)N1c1cccc(C(F)(F)F)c1)[C@H](c1ccccc1)N1CCCN21 19169144 LPQXAUCZLPZYGO-SQNIBIBYSA-N 401.388 3.241 0 40 HGAB O=C(CCS(=O)(=O)c1ccc(F)cc1)N1CCC(c2cc3ncccc3[nH]2)CC1 19345315 HGELHUIHAREWHP-UHFFFAOYSA-N 415.490 3.272 0 40 HGAB CCCC(=O)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CN(C(=O)C1CCCCC1)CC2 19501419 ANJMYXGWBZYHBT-IBGZPJMESA-N 414.550 3.089 0 40 HGAB CCc1onc(C)c1C(=O)N1CCCC[C@@H]1c1c(-c2cc(C)no2)cnn1CCO 19521124 MMMXLTFCMYONQV-MRXNPFEDSA-N 413.478 3.065 0 40 HGAB COc1ccccc1CNC(=O)c1cc([C@@H]2CCN(Cc3ccc(F)cc3)C2)n[nH]1 19707788 KRMFZNQKCMIXNR-GOSISDBHSA-N 408.477 3.477 0 40 HGAB CCN1CCN([C@H](CNC(=O)c2cc(-c3ccccc3)on2)c2ccccc2)CC1 19796745 JMKIYTCTMAAOGK-JOCHJYFZSA-N 404.514 3.450 0 40 HGAB COCCC(=O)N[C@H]1CC[C@]2(C)CC[C@@H]([C@H](C)C(=O)NC3CCCC3)[C@H](O)[C@H]2[C@@H]1C 20467074 GEQWUBLKSRVCLJ-SICCFQPGSA-N 422.610 3.026 0 40 HGAB biogenic,in-vitro CC(C)CN1C(=O)[C@]2(NC(=O)c3ccccc3O2)c2cc(Br)ccc21 20673487 RASHMVWAMGJPFU-IBGZPJMESA-N 401.260 3.427 0 40 HGAB COc1ccc([C@@H](C)NC(=O)[C@@H](C)N(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 22528408 RUJOFFJBHFYQEN-IAGOWNOFSA-N 404.532 3.344 0 40 HGAB COc1ccc(-c2ccc(N3CCC[C@H](C(=O)NCc4cccnc4)C3)nn2)cc1 23142680 BEOSUDFOFHWRHF-IBGZPJMESA-N 403.486 3.080 0 40 HGAB COc1ccc(CCNC(=O)[C@@H](C)N2CCC[C@@H](C(=O)Nc3ccccc3)C2)cc1 27573455 ZATLQMOVZNBWCC-UYAOXDASSA-N 409.530 3.093 0 40 HGAB CCc1ccccc1NC(=O)Cc1nnc(S[C@H](C)C(=O)NC2CCCC2)n1C 28211590 ZNKABBISLACSAT-CQSZACIVSA-N 415.563 3.098 0 40 HGAB CSc1nc(C)c(CCC(=O)Nc2cccc(-c3nnnn3C3CC3)c2)c(C)n1 29026659 LANGEWLPJKMPEH-UHFFFAOYSA-N 409.519 3.375 0 40 HGAB CC(=O)Nc1ccc(OC[C@@H](O)Cn2cnc3c(Cl)cc(Cl)cc3c2=O)cc1 30531015 ITXDSHJDRUCBFS-AWEZNQCLSA-N 422.268 3.102 0 40 HGAB CCOC(=O)c1cc(NC(=O)c2ccc(NS(C)(=O)=O)c(C)c2)ccc1Cl 30756701 UEBNMICTMHTZLU-UHFFFAOYSA-N 410.879 3.449 0 40 HGAB COc1ccc2c(C)c(CCC(=O)NCc3ccc(N4CCCC4)nc3)c(=O)oc2c1 31316076 BNYLVDJQQMSLDB-UHFFFAOYSA-N 421.497 3.354 0 40 HGAB CC(C)c1c(C(=O)Nc2nc(CC(N)=O)cs2)cnn1-c1cccc(Cl)c1 31889262 UVFMVQYDPRGLAV-UHFFFAOYSA-N 403.895 3.386 0 40 HGAB COc1ccc(C2=N/C(=C/c3cc(Cl)c4c(c3)OCCO4)C(=O)O2)cc1OC 32714714 FOIYVRVHRRVKMO-RIYZIHGNSA-N 401.802 3.473 0 40 HGAB Cc1ccccc1C(=O)N[C@@H](C(=O)N1CCC[C@@H](c2nnc3ccccn23)C1)C(C)C 32830485 QWDZPFUUHNXKND-WIYYLYMNSA-N 419.529 3.198 0 40 HGAB Cc1ccc(-c2noc(COC(=O)C3=NN(c4ccccc4)C(=O)CC3)n2)cc1F 32895488 PEPWWKQGXMHJSL-UHFFFAOYSA-N 408.389 3.410 0 40 HGAB Nc1nn(C(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)c2ccccc12 32912314 BBZRHLBEVJGPOW-UHFFFAOYSA-N 410.430 3.247 0 40 HGAB CCc1ccc(OCC(=O)N2CCN(CC(=O)Nc3ccccc3Cl)CC2)cc1 36384701 DJFSHAIRKXEVBI-UHFFFAOYSA-N 415.921 3.064 0 40 HGAB O=C(NCC1CCN(C(=O)c2ccccc2F)CC1)c1cc2ccccc2oc1=O 44006563 MZMOXSHXWOXYTR-UHFFFAOYSA-N 408.429 3.214 0 40 HGAB C[C@@H]1CCCC[C@H]1OCCNC(=O)Nc1ccc(NC(=O)[C@@H](C)n2cncn2)cc1 46830735 VBLQTIUVETUVQP-GPMSIDNRSA-N 414.510 3.195 0 40 HGAB COc1ccc(CNC(=O)c2nnn(-c3ccc(C)c(Cl)c3)c2C)c(OC)c1 51317788 SJOKBMSKHVYTIH-UHFFFAOYSA-N 400.866 3.485 0 40 HGAB CCOC(=O)c1ccn(-c2cccc(NC(=O)NCCc3ccc4c(c3)OCO4)c2)n1 57587923 UMGRGWDCGZEVOO-UHFFFAOYSA-N 422.441 3.142 0 40 HGAB COc1ccc(N([C@H]2CCS(=O)(=O)C2)S(=O)(=O)c2c(C)cc(C)cc2C)cc1 58023687 HCZNNPGOFDOCFY-SFHVURJKSA-N 423.556 3.003 0 40 HGAB CN1CCC[C@H](NC(=O)NCc2ccccc2-c2ccc(CN3CCCC3=O)cc2)C1 58268286 ZWUITWIVFYVLLD-QFIPXVFZSA-N 420.557 3.369 0 40 HGAB CCOC(=O)C1CCN(C(=O)CN(C)C(=O)c2cc(F)c(Cl)cc2Cl)CC1 58327463 GWXSEWXOYDIZBJ-UHFFFAOYSA-N 419.280 3.006 0 40 HGAB 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100767400 XBJJVDDFZCNLAZ-BETUJISGSA-N 421.877 3.313 0 40 HGAB COc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(Cl)c(F)c4)C(=O)[C@H]3N3CCCN23)cc1 100823837 HWWGJZVERBDGHY-FHWLQOOXSA-N 415.852 3.023 0 40 HGAB COc1ccc([C@@H](C)NC(=O)CCCN(c2cccc(OC)c2)S(C)(=O)=O)cc1 113967143 GGTNXMBCSYYTSE-MRXNPFEDSA-N 420.531 3.127 0 40 HGAB CCOC(=O)CN1C(=O)S/C(=C/c2ccc(OCC)c(Br)c2)C1=O 205669036 ALECKVMDJGVBMA-MDWZMJQESA-N 414.277 3.447 0 40 HGAB C[C@@H](Nc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1C(=O)O)c1ccccc1 217632579 LKFHLJOOMPWPDT-ZBFHGGJFSA-N 404.488 3.015 0 40 HGAB Cc1ccccc1[C@H](C)NS(=O)(=O)c1nnc(NC(=O)c2ccccc2)s1 222728895 NREYYJDZOSETKH-ZDUSSCGKSA-N 402.501 3.138 0 40 HGAB CNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(Cl)c(C)c1 222859858 UZWMEWHMQQIRLP-HNNXBMFYSA-N 404.894 3.199 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)N(C)c1ccccc1 223234128 OEAWIBRGPOEMIO-UHFFFAOYSA-N 416.543 3.465 0 40 HGAB CCCC(=O)N(Cc1ccccc1)[C@H](C(=O)NCCN1CCOCC1)c1ccccc1 223346048 HGQSBDLTTQEWNE-DEOSSOPVSA-N 423.557 3.005 0 40 HGAB COc1ccc(NC(=O)C[C@@H](NS(C)(=O)=O)c2ccc(F)cc2)cc1Cl 225946617 VVLRWESCXHAQDF-OAHLLOKOSA-N 400.859 3.107 0 40 HGAB CC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=NN12 229683003 KYMCRXNRHMJWMS-ACESQOTJSA-N 409.445 3.307 0 40 HGAB Cc1ccc(OC[C@]2(O)CCCN(CC(=O)NCCc3ccccc3)CC2)c(C)c1 257280982 ONEQMSVNZQOZDZ-VWLOTQADSA-N 410.558 3.258 0 40 HGAB Cc1cc(-c2ccc(F)cc2)cc([C@@H]2CCCN(S(=O)(=O)c3cn(C)cn3)C2)n1 257313247 URNWYPFNIOJJNK-QGZVFWFLSA-N 414.506 3.498 0 40 HGAB COc1cccc(N([C@@H](C)C(=O)N[C@H](C)c2ccc(C)c(C)c2)S(C)(=O)=O)c1 260587790 ADYXWEYGWXRAOL-SJORKVTESA-N 404.532 3.344 0 40 HGAB CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)cc1C 408626762 WQXMEGJRFYUMDP-UHFFFAOYSA-N 401.532 3.081 0 40 HGAB O=C(COC(=O)[C@@H]1[C@H]2C[C@H]3OC(=O)[C@@H]1[C@H]3C2)Nc1ccc(Oc2ccccc2)cc1 408645557 ACFDMYMSKKOQBJ-PHUZRIEPSA-N 407.422 3.158 0 40 HGAB Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3ccc(N4CCCCC4)o3)C2=O)cc1 409018741 UARVTXXGIBUSHM-QGOAFFKASA-N 408.458 3.110 0 40 HGAB CCOc1cc(C(=S)N2C[C@@H](C)O[C@H](C)C2)cc(I)c1O 409253539 ZMWNANTUVVRMRJ-NXEZZACHSA-N 421.300 3.180 0 40 HGAB Cc1ccc(-n2nc(C(=O)N[C@H](CO)Cc3c[nH]c4ccccc34)c3c2CCC3)cc1 538862460 ABKXPAZCAMODKI-SFHVURJKSA-N 414.509 3.484 0 40 HGAB O=C(CCCc1nc(O)c2ccccc2n1)NCc1nc(Cc2ccccc2F)no1 1133665496 SSVVCFMUGOIKSA-UHFFFAOYSA-N 421.432 3.087 0 40 HGAB O=C(c1cc2c(Br)cncc2s1)N1CCOC[C@@H]1C[C@@H]1CCOC1 1536723152 UDSUWVAKWVUUKN-RYUDHWBXSA-N 411.321 3.326 0 40 HGAB Cc1ncnc(OCC2CCN(S(=O)(=O)Cc3cccc(Cl)c3)CC2)c1C 1565519544 SEMFKQNLLMYBHF-UHFFFAOYSA-N 409.939 3.368 0 40 HGAB O=S(=O)(N[C@H]1CCN(Cc2ccsc2)C1)c1ccc(Br)s1 1775969738 IWOJYKFSCAXIMO-NSHDSACASA-N 407.380 3.125 0 40 HGAB FC(F)(F)c1nnc(CN2C[C@@H]3CN(c4ccc(-c5ccccc5)nn4)C[C@H]3C2)o1 1888897929 XCNDQLXTYXKIIM-HUUCEWRRSA-N 416.407 3.114 0 40 HGAB COc1ccc(C2=NN(C(C)=O)[C@@H](c3cc(OC)c(OC)cc3N)S2)cc1OC 1590276 LKANFDTWNYGZEB-HXUWFJFHSA-N 417.487 3.259 0 40 HGAB NS(=O)(=O)c1ccc(NC(=O)c2cccnc2Nc2cccc(Cl)c2)cc1 1616103 KMEKPEIQIFXHSV-UHFFFAOYSA-N 402.863 3.378 0 40 HGAB COc1ccccc1/C=C/C(=O)OCCCNC(=O)c1cc2ccccc2oc1=O 1782528 BTVITSDNRCVKRH-VAWYXSNFSA-N 407.422 3.178 0 40 HGAB CCOc1ccccc1NC(=O)C(=O)c1cn(CC(=O)N2CCCC2)c2ccccc12 3007639 DOPWCWKFMQWAST-UHFFFAOYSA-N 419.481 3.484 0 40 HGAB CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@@H]2CCCO2)c1 3256451 BGFGOWQPXVVEBD-INIZCTEOSA-N 422.934 3.464 0 40 HGAB O=C(CSc1nnc(COc2ccccc2Cl)o1)NC(=O)NC1CCCC1 3364723 SDYQRQNAKINCSQ-UHFFFAOYSA-N 410.883 3.163 0 40 HGAB COc1cc(/C=C/C(=O)OCC(=O)Nc2ccc(F)c(F)c2)cc(OC)c1OC 3415332 OCAKFLBWNHFKNL-QPJJXVBHSA-N 407.369 3.186 0 40 HGAB CCCCn1c(=O)c2c(nc3n2C[C@H](C)CN3c2cccc(Cl)c2C)n(C)c1=O 4249477 QFZVHUBXRFRIBE-CYBMUJFWSA-N 415.925 3.446 0 40 HGAB Cc1ccc(S(=O)(=O)Nc2cccc(-c3ccc(N4CCOCC4)nn3)c2)cc1 5144766 HBRYDJOKQTXTAV-UHFFFAOYSA-N 410.499 3.089 0 40 HGAB Cc1ccc(CNC(=O)C(=O)Nc2c3c(nn2-c2ccc(C)cc2)CSC3)cc1 5418978 STZBOQXXLVMIPY-UHFFFAOYSA-N 406.511 3.491 0 40 HGAB CC(=O)Nc1ccc(NC(=O)CCc2ccc(S(=O)(=O)NC(C)(C)C)cc2)cc1 6295997 ZZBMAXKSLDFHAJ-UHFFFAOYSA-N 417.531 3.293 0 40 HGAB COc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc3ccccc3c2)cc1OC 6601153 UQQSTWYYZRZUPT-UHFFFAOYSA-N 414.483 3.116 0 40 HGAB CCc1ccc(CN(C(=O)[C@@H](C)Oc2ccccc2F)[C@@H]2CCS(=O)(=O)C2)cc1 6604249 HIJWIUXBJCOFRF-VQIMIIECSA-N 419.518 3.371 0 40 HGAB Cc1ccc(NC(=O)Cn2nc(CNC(=O)c3ccccc3C)n(C)c2=S)c(C)c1 8369261 SMRKBBMLEPPSHU-UHFFFAOYSA-N 423.542 3.445 0 40 HGAB COc1ccc(S(=O)(=O)N(C)CCCC(=O)Nc2cccc(SC)c2)cc1 11610834 DOZSYCUSXJACKE-UHFFFAOYSA-N 408.545 3.457 0 40 HGAB Cc1nc2cc(-c3nccn3C)nn2c(N2CCC(O)(c3ccc(F)cc3)CC2)c1C 12087619 NFWLONMVCJRWLS-UHFFFAOYSA-N 420.492 3.374 0 40 HGAB COc1cc(C(=O)N[C@H](Cn2c(=O)oc3ccccc32)C(C)C)cc(OC)c1OC 12142058 WGFAJWMABUDWIH-OAHLLOKOSA-N 414.458 3.075 0 40 HGAB O=S(=O)(N1CCCC1)N1[C@@H]2CC[C@@H](C2)[C@@H]1COc1cccc(C(F)(F)F)c1 12408060 PMERYZRFVXHACU-LXZKKBNFSA-N 404.454 3.278 0 40 HGAB CCOC(=O)c1c(C)[nH]c(C(=O)NC[C@H](c2cccc(OC)c2)N2CCCC2)c1C 12932463 VPHBIILAPDLPII-LJQANCHMSA-N 413.518 3.384 0 40 HGAB C[C@@H]1Oc2ccc(NC(=O)C3CCN(C(=O)/C=C/c4ccccc4)CC3)cc2NC1=O 12947267 ZXENMLKYICSLRF-JCVNQNCUSA-N 419.481 3.297 0 40 HGAB Cc1nc(-c2ccc(CCNC(=O)c3ccc(S(C)(=O)=O)cc3)cc2)cs1 12993540 PJJWTMDEPHQIGJ-UHFFFAOYSA-N 400.525 3.495 0 40 HGAB COc1ccc(C(=O)NCc2ccccc2)cc1S(=O)(=O)N1CCCCCC1 13071116 KJNJVATVPITHTD-UHFFFAOYSA-N 402.516 3.190 0 40 HGAB COc1cc(C(=O)Nc2ccc(C)c(Cl)c2)c(N(C)S(C)(=O)=O)cc1OC 13582610 QOWWQBHJWPNUKE-UHFFFAOYSA-N 412.895 3.314 0 40 HGAB C[C@@H]1CS(=O)(=O)N(c2ccc(C(=O)Nc3cccc(Br)c3)cc2)C1=O 15843039 FNQSRSZPYOLIRR-LLVKDONJSA-N 423.288 3.014 0 40 HGAB O=C1c2ccccc2C(=O)N1CCOC(=O)C1(c2ccc3c(c2)OCCO3)CCCC1 16167584 LIMLYTOPPWUUTP-UHFFFAOYSA-N 421.449 3.109 0 40 HGAB C[C@H]1COC[C@H](C)N1c1ncc(-c2nnnn2-c2ccccc2)c(-c2cccs2)n1 16609707 QXTGVMLBAVMWRD-GJZGRUSLSA-N 419.514 3.461 0 40 HGAB O=C(N[C@]1(C(F)(F)F)N=C(O)N(Cc2ccccc2Cl)C1=O)c1ccccc1 17027402 NMNUSQRCRDZBKG-KRWDZBQOSA-N 411.767 3.285 0 40 HGAB Nc1c(Cl)c(Cl)nc(C(=O)OCC(=O)Nc2ccc(Cl)cn2)c1Cl 18260897 MSDNPOUAHSOWDG-UHFFFAOYSA-N 410.044 3.468 0 40 HGAB CN1CCN(c2ncc(-c3ccncc3)c([C@H]3CCCN(C(=O)C(C)(C)C)C3)n2)CC1 19081189 HBYHMFNATPKXHY-IBGZPJMESA-N 422.577 3.043 0 40 HGAB CN(C)c1ncccc1CN1CCC(c2nc(-c3ccccc3)c(C(N)=O)[nH]2)CC1 19697002 AKELMKWZCWWZLW-UHFFFAOYSA-N 404.518 3.016 0 40 HGAB CCN1CCN(CC(=O)NC2=Nc3ccccc3N=C(C)[C@H]2c2ccccc2)CC1 19938259 WVOMBQKFGLFIJF-QHCPKHFHSA-N 403.530 3.360 0 40 HGAB Cc1ccc(CN(C)C(=O)C2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1 20104788 FDCYJGUSYJCWJN-UHFFFAOYSA-N 400.544 3.195 0 40 HGAB CCCCCCn1c(O)c([C@H]2c3[nH]c4ccccc4c3CCN2CC)c(=O)[nH]c1=O 20758662 ZJYYXCXWQYQQEL-FQEVSTJZSA-N 410.518 3.271 0 40 HGAB biogenic CC(C)[C@@H](NC(=O)Cc1ccccc1)C(=O)Nc1nc(CN2CCCCC2)cs1 22238287 ZVDVUKRLCBLQTK-HXUWFJFHSA-N 414.575 3.451 0 40 HGAB Cc1ccc(OC[C@H](C)NC(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)cc1 22330282 RHDKXJRUHYFPLC-SFHVURJKSA-N 418.559 3.468 0 40 HGAB COc1ccc(-c2ccc(N3CCC[C@@H](C(=O)NCc4cccnc4)C3)nn2)cc1 23142676 BEOSUDFOFHWRHF-LJQANCHMSA-N 403.486 3.080 0 40 HGAB CN1CCC(NC(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)CC1 23242119 RUNFVQOJEGSUQD-UHFFFAOYSA-N 404.864 3.181 0 40 HGAB Cc1c(NC(=O)Cc2csc(-c3ccccn3)n2)c(=O)n(-c2ccccc2)n1C 23294505 FTTNLEIGWBULIN-UHFFFAOYSA-N 405.483 3.184 0 40 HGAB CC(=O)Nc1ccc2nc(NC(=O)[C@@H]3CCCN(C(=O)c4ccco4)C3)sc2c1 24927366 LOBVXJUFYOFLHJ-CYBMUJFWSA-N 412.471 3.339 0 40 HGAB Cc1ccc(-n2cnnc2SCC(=O)N2CCN(C)C[C@@H]2c2ccccc2)cc1 26937985 OFLUZUATNCOROV-HXUWFJFHSA-N 407.543 3.183 0 40 HGAB Cn1c(=O)oc2cc(S(=O)(=O)NCC3(c4ccccc4)CCCCC3)ccc21 26979125 XYGVOPJMQQGAPE-UHFFFAOYSA-N 400.500 3.312 0 40 HGAB COc1ccc(CN2CCN(C(=O)c3nc(Cl)ccc3Cl)CC2)cc1OC 32722600 LWXSYSAGRHNSSY-UHFFFAOYSA-N 410.301 3.364 0 40 HGAB O=C(CCC(=O)N1CCC(c2ccccc2)=N1)NC1CCN(Cc2ccccc2)CC1 33026952 HMJZDRBXOSOXHT-UHFFFAOYSA-N 418.541 3.184 0 40 HGAB O=C(c1cccc(OC[C@H]2CCCO2)c1)N1CCC(c2nnc3ccccn23)CC1 40047176 LHHSEYLMGLMDCP-HXUWFJFHSA-N 406.486 3.307 0 40 HGAB C[C@@H]1CCCCN1Cc1ccc(CNC(=O)c2ccc(NS(C)(=O)=O)cc2)cc1 40106753 GDSXYUIMBLKSDA-QGZVFWFLSA-N 415.559 3.363 0 40 HGAB Cc1nn(-c2ccccc2)c(C)c1C(=O)N1CCC[C@@H](C(=O)Nc2nccs2)C1 40148977 UENNEOWNUJQXMX-MRXNPFEDSA-N 409.515 3.437 0 40 HGAB COc1cc(/C=C2/N=C(c3cccc(C)c3)OC2=O)cc(Cl)c1OS(C)(=O)=O 41078055 ZIOUVPSICKHQFJ-OQLLNIDSSA-N 421.858 3.340 0 40 HGAB CC[C@H](CNC(=O)C(=O)Nc1ccccc1N1CCc2ccccc21)N1CCCC1 41594152 IDEOVMSPCOZPCZ-LJQANCHMSA-N 406.530 3.310 0 40 HGAB CCc1ccc([C@@H](C)NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)cc1 42161839 VKSZBRZVFRMVNU-QGZVFWFLSA-N 416.543 3.069 0 40 HGAB Cc1cc(C)cc(-n2c(=O)c3sccc3n(CC(=O)N3CCCC[C@@H]3C)c2=O)c1 57492167 OXZOFNMLEKFBEO-INIZCTEOSA-N 411.527 3.232 0 40 HGAB COC(=O)c1cc(Cl)ccc1NC(=O)Cn1c(SC)nc2ccsc2c1=O 57505208 UNRRWQPLGBOPSG-UHFFFAOYSA-N 423.903 3.259 0 40 HGAB COC(=O)Nc1cccc(NC(=O)N2CCC(NC(=O)NC3CCCCC3)CC2)c1 58364637 YNZNODMKROOBJM-UHFFFAOYSA-N 417.510 3.493 0 40 HGAB Cc1cccn2cc(CC(=O)NCc3ccccc3CN3C[C@@H](C)O[C@H](C)C3)nc12 58405645 SKLQQRBFSIIFSX-RTBURBONSA-N 406.530 3.111 0 40 HGAB Cc1cc(C)n(Cc2ccc(C(=O)NCc3cccc(CN4CCOCC4)c3)cc2)n1 61406574 PWAYJOPXVNVCKZ-UHFFFAOYSA-N 418.541 3.310 0 40 HGAB Cc1ccc(NC(=O)CN2C(=O)N[C@@H](c3cc(C)ccc3C)C3=C2COC3=O)cc1 67288600 FXPWKTJQTMQKQP-NRFANRHFSA-N 405.454 3.128 0 40 HGAB CS(=O)(=O)Nc1ccccc1C(=O)Nc1nnc(SCc2ccccc2)s1 69474707 XXZFZTBIWPUXMK-UHFFFAOYSA-N 420.541 3.454 0 40 HGAB CCOc1ccc(CC(=O)OCC(=O)NCc2ccc(F)cc2F)cc1OCC 72330973 DEKOXKHAHPUMSI-UHFFFAOYSA-N 407.413 3.164 0 40 HGAB CN(C)C(=O)c1cc([C@H]2CN(C(=O)Cc3ccc(F)cc3)CCO2)nc2ccccc12 72352713 QOWVIGSUSLUBHU-JOCHJYFZSA-N 421.472 3.218 0 40 HGAB COCCn1c(C)c(C(=O)N2CCCN(Cc3ccccn3)CC2)c2ccccc21 72391759 SYDWSGKZPAVGJW-UHFFFAOYSA-N 406.530 3.339 0 40 HGAB Cc1ccc(NC(=O)Nc2cnc(N3CCN(c4ccccn4)CC3)nc2)cc1F 77196684 WJHGPCLYTIWGNG-UHFFFAOYSA-N 407.453 3.290 0 40 HGAB C[C@@H]1C(=O)Nc2cc(C(=O)NCCOc3cccc(Br)c3)ccc2N1C 79020704 AWUORAPKVZVZNQ-GFCCVEGCSA-N 418.291 3.035 0 40 HGAB CN(Cc1ccc(OC(F)F)cc1)C(=O)CN1C(=O)NC2(CCCCCCC2)C1=O 89355980 BOWONGWULFUORW-UHFFFAOYSA-N 423.460 3.281 0 40 HGAB O=C(C[C@H]1CC2(CCN(C(=O)c3ccnnc3)CC2)c2ccccc21)NC1CCC1 96052778 KJNOAIVNZAQPNW-SFHVURJKSA-N 404.514 3.197 0 40 HGAB CCCSc1nnc(NC(=O)c2cc(N(C)S(C)(=O)=O)ccc2Cl)s1 222845426 RGZOJYRCGQCGDS-UHFFFAOYSA-N 420.969 3.342 0 40 HGAB CSc1ccc(S(=O)(=O)N(C)CC(=O)NCCSCc2ccccc2)cc1 223213004 ISFBQEASFGJUJK-UHFFFAOYSA-N 424.613 3.079 0 40 HGAB CCOc1ccc(-c2noc(CN(C)S(=O)(=O)c3ccc(OC)c(F)c3)n2)cc1 223601787 IHPYJSWDKQYQFC-UHFFFAOYSA-N 421.450 3.104 0 40 HGAB COc1ccc(S(=O)(=O)NCCc2ccc(Cl)cc2)cc1C(=O)N1CCCC1 224029587 TYNUQSKZPYYBCG-UHFFFAOYSA-N 422.934 3.106 0 40 HGAB CCCn1c(=O)sc2cc(S(=O)(=O)NCCOc3cc(C)cc(C)c3)ccc21 224114474 KLSSDOUBRKQCLZ-UHFFFAOYSA-N 420.556 3.447 0 40 HGAB Cc1ccc2c(c1)C(=O)CC1(CCN(S(=O)(=O)Cc3ccc(F)cc3)CC1)O2 225817363 SJRZDBCXODMJDL-UHFFFAOYSA-N 403.475 3.464 0 40 HGAB COC(=O)c1cccc(NC(=S)NCc2nc(-c3cccc(OC)c3)no2)c1C 225822449 DDBUELCJCNWJRW-UHFFFAOYSA-N 412.471 3.327 0 40 HGAB CC1CCN(c2cc(N3CCCCC3)nc(NC(=S)NC[C@@H]3CCCO3)n2)CC1 225907153 ALPMLHGBGOMZNC-KRWDZBQOSA-N 418.611 3.169 0 40 HGAB Cn1cnc(S(=O)(=O)N2CCC[C@@H](c3ncc(Cc4cccc(Cl)c4)o3)C2)c1 257221464 DPCYOEMTACRYOZ-OAHLLOKOSA-N 420.922 3.221 0 40 HGAB CCOc1ccc(N([C@H](C)C(=O)NCCc2ccc(Cl)cc2)S(C)(=O)=O)cc1 260790340 AWHLWPNAXZVSAB-OAHLLOKOSA-N 424.950 3.252 0 40 HGAB COc1ccc(Cl)cc1N([C@@H](C)C(=O)NC[C@H](C)c1ccccc1)S(C)(=O)=O 260854528 ZKPRAFOGUZYUAV-GJZGRUSLSA-N 424.950 3.423 0 40 HGAB COc1cccc(NS(=O)(=O)c2ccc(OCC(=O)N3CCCCCC3)cc2)c1 408613097 ZUKHMADFOWJNKL-UHFFFAOYSA-N 418.515 3.277 0 40 HGAB COc1ccc(C(=O)N[C@@H]2C(=O)N/[N+](=C\c3ccccc3C)[C@@H]2c2ccccc2)cc1 409058879 LXTDSIBAAOJGBD-HFXBMHRVSA-O 414.485 3.020 0 40 HGAB COc1ccccc1/C=[N+]1\NC(=O)[C@@H](NC(=O)c2ccc(C)cc2)[C@@H]1c1ccccc1 409073964 UZWYXSNHSFOKSA-LIFFMEMSSA-O 414.485 3.020 0 40 HGAB CSCC[C@@H](C(=O)NCCC1=CCCCC1)n1c(O)nc2ccccc2c1=O 524734078 UHTVLJFQCFUVMW-SFHVURJKSA-N 401.532 3.403 0 40 HGAB O=C(c1cnc2nc(O)nc(O)c2c1)N1CCc2ccccc2[C@H]1Cc1ccccc1 534205881 FMJNEHCPHBOSCB-HXUWFJFHSA-N 412.449 3.418 0 40 HGAB COc1cc(C(=O)N2CCC[C@@H](Oc3ccncc3Cl)C2)cc(OC)c1OC 575611969 HPCPWJCCALIGDM-CQSZACIVSA-N 406.866 3.444 0 40 HGAB CCOc1ccccc1C(=O)N1CCN(C(=O)NCc2ccc3c(n2)CCCC3)CC1 582884699 MXTRAYDGNZNEMV-UHFFFAOYSA-N 422.529 3.027 0 40 HGAB Nn1c(COc2ccccc2)nnc1SCC(=O)Nc1ccc2ccccc2c1 687610 UAKQTXCYELJXCD-UHFFFAOYSA-N 405.483 3.455 0 40 HGAB COc1ccccc1/C=C/C(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)on2)cc1 1932569 IKKFXXXJYRHIAB-KPKJPENVSA-N 413.455 3.444 0 40 HGAB COC[C@H](C)OC(=O)c1c(N)n(-c2ccc(OC)cc2)c2nc3ccccc3nc12 2219382 SSSXDICOCWMRNG-ZDUSSCGKSA-N 406.442 3.356 0 40 HGAB CC1CCN(C(=O)[C@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc(F)cc2)CC1 3234061 DNQYAIZVQZKJTP-OAQYLSRUSA-N 416.518 3.200 0 40 HGAB COc1ccccc1CNC(=O)CN1C(=O)N[C@](C)(c2ccc(C(C)(C)C)cc2)C1=O 3449625 PXIQUQUOMQVHTO-XMMPIXPASA-N 423.513 3.076 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(C)cc3C)CC2)cc1 3555695 SCTFHRYYDMGBLN-UHFFFAOYSA-N 402.516 3.351 0 40 HGAB CC(C)(CN1CCCC1=O)[C@@H](OC(=O)c1ccccc1)C(=O)NC1CCCCC1 4017579 PTMAAFMZLFYBKW-FQEVSTJZSA-N 400.519 3.310 0 40 HGAB COc1ccc(OC)c([C@@H](O)C[C@@H]2c3c(cc4c(c3OC)OCO4)CCN2C)c1 4029246 GREBKDKZYPDUEK-SJORKVTESA-N 401.459 3.094 0 40 HGAB biogenic COC(=O)c1c(NC(=O)c2ccc(S(C)(=O)=O)cc2)sc2c1CCCCC2 4518040 REQKZCNJMHTOFR-UHFFFAOYSA-N 407.513 3.459 0 40 HGAB COc1ccccc1CNC(=O)c1ccc(N2CCCCS2(=O)=O)cc1Cl 5099763 FFGOQDGRFVRCLQ-UHFFFAOYSA-N 408.907 3.209 0 40 HGAB CC(C)c1ccc(O[C@@H](C)C(=O)N(Cc2ccco2)[C@H]2CCS(=O)(=O)C2)cc1 5163234 PTQHKOKHKHKSHH-WMZOPIPTSA-N 405.516 3.386 0 40 HGAB CCOc1cc(C(=O)Nc2ccc(OC)nc2)ccc1OCC(=O)N1CCCCC1 5898453 JNMHZOREOYHKFC-UHFFFAOYSA-N 413.474 3.133 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(NS(=O)(=O)c2c(C)cc(C)cc2C)cc1 5940349 AQUBJRHIOGUKAV-UHFFFAOYSA-N 410.561 3.443 0 40 HGAB COc1ccc2c(C)c(CC(=O)N3CCN(c4ccc(F)cc4)CC3)c(=O)oc2c1 6660340 NQOUNQVFLKTABW-UHFFFAOYSA-N 410.445 3.140 0 40 HGAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)N2CCCCCC2)cc1Cl 7881283 HXBQNHOABHPQNT-UHFFFAOYSA-N 402.944 3.152 0 40 HGAB CC(C)[C@H](NC(=O)CNC(=O)c1ccc(Cl)cc1)c1ccc2c(c1)OCCO2 8124490 OPWUJIUQGULZSW-FQEVSTJZSA-N 402.878 3.355 0 40 HGAB Cc1ccc(-c2noc(CN3C(=O)N[C@H](Cc4c[nH]c5ccccc45)C3=O)n2)cc1 8190193 PAWBWNGXSNXSPS-GOSISDBHSA-N 401.426 3.189 0 40 HGAB COCCn1c(SCC(=O)Nc2cccc(Cl)c2)nnc1-c1ccncc1 8232291 WZRAZUNYBZOXSB-UHFFFAOYSA-N 403.895 3.371 0 40 HGAB CSc1nc(NCC(C)C)c2cnn(CCNC(=O)Cc3cccc(C)c3)c2n1 8942831 YJRGMFATSFQFSC-UHFFFAOYSA-N 412.563 3.283 0 40 HGAB Cc1ccc(N[C@H]2SC(=O)N(CCN3C(=O)c4ccccc4C3=O)C2=O)c(C)c1 9338820 VQABCVXHUFVFPY-KRWDZBQOSA-N 409.467 3.033 0 40 HGAB CCOC(=O)c1cn(CC(=O)Nc2ccc(C)cc2Cl)c2nc(C)ccc2c1=O 10272972 PKCJSNAVPIGBHJ-UHFFFAOYSA-N 413.861 3.482 0 40 HGAB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N1CCCC1)c1cccc(C)c1 10301076 UEHMILZSPOXHCR-UHFFFAOYSA-N 402.516 3.130 0 40 HGAB COc1ccc(S(=O)(=O)NC[C@@H](c2cccc3ccccc23)N(C)C)cc1OC 10335626 OKSRYIOXZRWGHE-FQEVSTJZSA-N 414.527 3.438 0 40 HGAB CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)OCc2cc(-c3ccco3)on2)cc1 11216627 YIPLZAPIOACJMI-CYBMUJFWSA-N 404.444 3.368 0 40 HGAB CCOc1ccc(S(=O)(=O)NCCC(=O)OCc2cccc3cccnc23)cc1 11388414 DCZWLAFMICHCEB-UHFFFAOYSA-N 414.483 3.045 0 40 HGAB COc1cccc(CC(=O)N[C@@H](C)c2nc3cc(-c4ccccc4F)ncn3n2)c1 12085137 FGQGBYKPQIDBJD-AWEZNQCLSA-N 405.433 3.359 0 40 HGAB COc1ccc([C@H](CNC(=O)c2cccc(-n3cccc3)c2)N2CCOCC2)cc1 12553541 ZOMWJRYMPRTOQZ-QHCPKHFHSA-N 405.498 3.289 0 40 HGAB COc1ccccc1[C@H](NS(=O)(=O)c1ccc2c(c1)CCCC2)c1nccn1C 12560233 FTKCVQSIFSOIKX-NRFANRHFSA-N 411.527 3.375 0 40 HGAB Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCCN2CCOCC2)cc1C 12755103 OVZNGIUMFSDSAK-UHFFFAOYSA-N 404.514 3.218 0 40 HGAB CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)NC[C@H](c1ccccc1Cl)N(C)C 12774026 NSTCKFKJQWQKPD-IRLDBZIGSA-N 415.965 3.442 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCCSc3ccccc3)CC2)s1 12787627 XLAKRPYWWSODSM-UHFFFAOYSA-N 424.613 3.462 0 40 HGAB COc1ccc(C)cc1N1C[C@@H](C(=O)O[C@H](C)C(=O)N(C)C2CCCCC2)CC1=O 12804016 PFBILDULXJYONO-SJORKVTESA-N 416.518 3.079 0 40 HGAB COc1ccc(C(=O)N(Cc2ccccc2)Cc2nc3ccccc3c(=O)[nH]2)cn1 13005082 ZNCVNEPBEMJFCQ-UHFFFAOYSA-N 400.438 3.169 0 40 HGAB Cc1cc(NC(=O)CSc2nnc3n(C4CCCC4)c(=O)c4ccccc4n23)no1 13086589 YEGIZMDVRWFVET-UHFFFAOYSA-N 424.486 3.187 0 40 HGAB O=C1OC(c2ccc(I)cc2)=N/C1=C\c1ccc2c(c1)OCO2 13574949 VMNUBAFEJTVLQG-QPEQYQDCSA-N 419.174 3.364 0 40 HGAB COC(=O)C[C@H](NC(=O)c1nc(Cl)ccc1Cl)c1ccc(OC)c(OC)c1 14380495 ZWYRSTCSHJHIKN-LBPRGKRZSA-N 413.257 3.440 0 40 HGAB CCS(=O)(=O)N1CCc2ccc(NC(=O)COc3ccc(Cl)cc3)cc2C1 17316607 ZRKBUERZSIVVOV-UHFFFAOYSA-N 408.907 3.065 0 40 HGAB C[C@@H](Oc1cccc(F)c1)C(=O)N1CC[C@H](c2cc(O)nc(-c3ccccn3)n2)C1 19077639 SNESGIXLYNGAPG-CABCVRRESA-N 408.433 3.167 0 40 HGAB Cc1noc2nc(C3CCN(C(=O)CCCn4cncn4)CC3)cc(C(F)(F)F)c12 19564666 SCYPNWJNJJJODD-UHFFFAOYSA-N 422.411 3.328 0 40 HGAB COc1ccc(-c2ccnc3c(C(=O)N4CCC[C@H](N5CCCC5)C4)cnn23)cc1 19719044 BZVWREPYKBMHFH-SFHVURJKSA-N 405.502 3.105 0 40 HGAB CC[C@H](c1ccc(F)cc1)N(C)C(=O)Cn1cccc(C(=O)NC2CCCC2)c1=O 19746435 YMYUKGRQRPIUHD-HXUWFJFHSA-N 413.493 3.270 0 40 HGAB Cc1nn(C)cc1CN1CCO[C@H](c2cc(C(=O)NCC(C)C)c3ccccc3n2)C1 19759703 MXYQEIHMIVNWMS-QHCPKHFHSA-N 421.545 3.236 0 40 HGAB C[C@@H](CCc1ccccc1)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 19868918 SQJPYTNAWSLDGG-FUHWJXTLSA-N 406.573 3.286 0 40 HGAB O=C(CCc1ccc(S(=O)(=O)NC2CC2)cc1)Nc1ccc(Br)cc1 19930547 KIQQYUJIJQXRRN-UHFFFAOYSA-N 423.332 3.461 0 40 HGAB CC(C)C(NC(=O)[C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1)C(C)C 20494892 JENIQZGGLZPNGV-FQEVSTJZSA-N 408.608 3.458 0 40 HGAB COc1ccc(CCN2CN=C(Nc3nc(C)c4ccc(C)cc4n3)NC2)cc1OC 20634322 XVOGWPQYUQKEFL-UHFFFAOYSA-N 420.517 3.095 0 40 HGAB C[C@H](Sc1nc(-c2cccs2)n[nH]1)C(=O)N1CCN(Cc2ccccc2)CC1 22025275 VRMNIGKESLFBCA-HNNXBMFYSA-N 413.572 3.358 0 40 HGAB CCN(C(=O)CSc1nc2ccccc2n1CCC(C)C)[C@@H]1CCS(=O)(=O)C1 22134050 OJZMWFAFXPGKOS-MRXNPFEDSA-N 423.604 3.210 0 40 HGAB O=C(CCn1c(=O)oc2ccccc21)N[C@H]1CCCc2c1cnn2Cc1ccccc1 24562263 JKTZIBRQQZSEMI-IBGZPJMESA-N 416.481 3.423 0 40 HGAB CCOC(=O)c1c[nH]nc1S(=O)(=O)Nc1cc2oc3ccccc3c2cc1OC 24976382 RCBDCPQGKQRBOK-UHFFFAOYSA-N 415.427 3.295 0 40 HGAB CCOC(=O)[C@H]1Sc2nnc(C(F)(F)F)n2N[C@@H]1c1ccc(OCC)cc1 27028543 OPNZSVUTAFOORE-NEPJUHHUSA-N 402.398 3.018 0 40 HGAB Cc1ccc([C@@H](CN2CCOCC2)NC(=O)Cc2ccc(Br)cc2)cc1 30536476 REFOIZQMMOQYIZ-HXUWFJFHSA-N 417.347 3.490 0 40 HGAB O=C(Nc1ccc(N2CCOCC2)cc1)c1nc2ccccc2nc1N1CCCC1 32642867 YBLSKZWLJFTFEP-UHFFFAOYSA-N 403.486 3.319 0 40 HGAB O=C1CCCN1c1ccc(S(=O)(=O)Nc2cccc(OC[C@@H]3CCCO3)c2)cc1 32776771 DMFZKEKRGHNOIQ-IBGZPJMESA-N 416.499 3.172 0 40 HGAB COC(=O)c1cc(CN(C)C(=O)c2cc3c(OC)cc(OC)c(OC)c3[nH]2)oc1C 32828268 BFBUCUQNUJTRSX-UHFFFAOYSA-N 416.430 3.154 0 40 HGAB COc1ccc(CNC(=O)C2CCN(Cc3ccccc3F)CC2)c(OC)c1OC 39772815 UQNVVBISBMHHOI-UHFFFAOYSA-N 416.493 3.380 0 40 HGAB CCCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)Nc1ccc(C(C)=O)cc1 40309263 PKILOSHGBGCJJA-HSZRJFAPSA-N 405.454 3.217 0 40 HGAB biogenic COc1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@H]2c2ccc(NC(C)=O)cc2)cc1 40486299 MOXGKWJKEBNERW-FQEVSTJZSA-N 418.457 3.173 0 40 HGAB COc1cc(OC)c(OC)cc1/C=C/C(=O)NC1(c2noc(C)n2)CCCCC1 48311325 WHXHOSXTXBVJRV-CMDGGOBGSA-N 401.463 3.393 0 40 HGAB COc1ccc(NC(=O)[C@H]2CCCN2C(=O)CCCc2nc(C(C)C)no2)cc1 49748723 FYNVFAHOHWYOIY-QGZVFWFLSA-N 400.479 3.154 0 40 HGAB CCCNC(=O)CSc1nc2ccsc2c(=O)n1Cc1ccccc1OC 57425664 VZAJQWPCNWDXRM-UHFFFAOYSA-N 403.529 3.133 0 40 HGAB COC(=O)c1cc(CN(C)C(=O)Nc2cccc(-c3nnc4n3CCC4)c2)oc1C 58179778 KIEWHFQCMFDSOF-UHFFFAOYSA-N 409.446 3.243 0 40 HGAB CN(C)C1(CNC(=O)NCC2(c3ccc4c(c3)OCCO4)CCCC2)CCCC1 61115071 VXSYXOICXBYEQW-UHFFFAOYSA-N 401.551 3.443 0 40 HGAB O=C(CN1N=C(C(=O)Nc2ccc(F)cc2)CCC1=O)Nc1cccc(Cl)c1 65197801 HHYVETDUZKHVHR-UHFFFAOYSA-N 402.813 3.035 0 40 HGAB Cc1c(N[C@H](C)C(C)C)cccc1C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C 72296024 CSHCHLRAVWKDSV-WIYYLYMNSA-N 402.583 3.124 0 40 HGAB O=C(CN1C(=O)N2CCN=C2c2cnn(-c3ccccc3)c21)Nc1ccccc1Cl 72347690 RWPPJECYXFCQLV-UHFFFAOYSA-N 420.860 3.167 0 40 HGAB Cc1cc(Nc2cc([C@@H]3CCCN3S(=O)(=O)c3ccc(F)cc3)nc(C)n2)[nH]n1 72360839 XNINXVBESRWQSO-KRWDZBQOSA-N 416.482 3.225 0 40 HGAB Cc1nc(C)n(CC(=O)NC2CCN(CC3(c4ccccc4F)CCCC3)CC2)n1 72393512 WTLUMOZTILHTJJ-UHFFFAOYSA-N 413.541 3.127 0 40 HGAB CC(C)CCn1cc(C(=O)N2CCN(c3ccccn3)CC2)c2ccccc2c1=O 72400948 KOXFRBDNOKUUND-UHFFFAOYSA-N 404.514 3.405 0 40 HGAB Cc1ccc(C(=O)NC[C@H](NC(=O)c2ccc(C)o2)c2ccc3c(c2)OCCO3)o1 95456327 IQKQILUHWVOXLF-INIZCTEOSA-N 410.426 3.162 0 40 HGAB COc1ncc(C2(O)[C@@H]3CCC[C@@H]2CN(Cc2cccc4ncccc24)C3)c(OC)n1 100728444 LQEGXAUNZVLOES-QZTJIDSGSA-N 420.513 3.162 0 40 HGAB O=c1c([C@H]2NCCc3c2[nH]c2ccccc32)c(O)[nH]c(=S)n1-c1ccc(F)cc1 100751535 YIABZRVLXBZQQX-GOSISDBHSA-N 408.458 3.456 0 40 HGAB biogenic Cc1cc(=O)oc2c(C)c(O[C@H](C)C(=O)NC[C@H]3CC[C@H](C(=O)O)CC3)ccc12 100765379 LZHDYJKVUJPAAS-OAGGEKHMSA-N 401.459 3.184 0 40 HGAB COc1ccc(NC(=O)c2cnn3c2NC(C(=O)O)=C[C@H]3c2ccccc2OC)cc1 102810760 LFQKZWFRJNCHRS-SFHVURJKSA-N 420.425 3.136 0 40 HGAB Cc1ccccc1C(=O)N[C@H](C(=O)OCC(=O)N[C@@H](C)[C@@H]1C[C@H]2CC[C@H]1C2)C(C)C 105285656 ZQXAZUYHXVDOJH-CSLRNZCASA-N 414.546 3.234 0 40 HGAB COc1ccc([C@H](C)NC(=O)c2ccc(CS(=O)(=O)N3CCCC3)cc2)cc1 113958356 OTMLUYHDGBGQQG-INIZCTEOSA-N 402.516 3.112 0 40 HGAB CCN(c1ccc(C(=O)Nc2cccc(C(=O)OC)c2C)cc1)S(=O)(=O)CC 222396298 WDQWSKPCKQPUAU-UHFFFAOYSA-N 404.488 3.210 0 40 HGAB Cc1ccccc1OC[C@H](C)NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1Cl 222523759 ZWWXOEFZVPWGLP-AWEZNQCLSA-N 410.923 3.242 0 40 HGAB CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2cc(C(=O)O)cc(C(=O)O)c2)o1 222759963 QJIQZEGMWIWZOD-MSOLQXFVSA-N 423.450 3.340 0 40 HGAB Cc1ccccc1OC[C@@H](C)NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1 224916698 XZHPTMJDRYALAM-MRXNPFEDSA-N 414.527 3.040 0 40 HGAB CC[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)c1ccccc1 225487169 CTPRJFVQNUVDAG-HXUWFJFHSA-N 404.507 3.494 0 40 HGAB O=C(N[C@H](c1ccccn1)[C@@H]1CCCN(C(=O)[C@@H]2[C@H]3CCCC[C@H]32)C1)[C@@H]1CCCO1 247509917 SQEXUZFWXRQSRK-IZSQZSJDSA-N 411.546 3.093 0 40 HGAB CCn1nc(C(=O)N2CCC[C@](COc3cccc(Cl)c3)(CC(N)=O)C2)cc1C 257220222 DKCCTCGJEWLUEL-NRFANRHFSA-N 418.925 3.042 0 40 HGAB C[C@H]1CCCCN1c1cc(N2CCCCC2)nc(NC(=S)NC[C@H]2CCCO2)n1 260723010 WGWCSNZHPUSFJD-DLBZAZTESA-N 418.611 3.311 0 40 HGAB COCCCNC(=O)c1nc([C@H]2CCCN2C(=O)c2ccccc2)n2ccccc12 306129465 IEBMBPBOXHHVPM-LJQANCHMSA-N 406.486 3.078 0 40 HGAB COc1ccccc1NC(=O)Cn1cc(C(=O)C(=O)N2CCCC2)c2ccccc21 408565674 CSPPFGABLRBNBB-UHFFFAOYSA-N 405.454 3.094 0 40 HGAB CN1C(=O)S/C(=C\c2cc(Cl)c(OCC(=O)O)c(Br)c2)C1=O 408819273 RBYGXHJXJCRDBI-WTKPLQERSA-N 406.641 3.232 0 40 HGAB COCc1ccccc1-c1cnc2n1CCN(C(=O)c1ccc(N(C)C)cc1)CC2 585111562 WGRVNEUZCXIXTM-UHFFFAOYSA-N 404.514 3.461 0 40 HGAB O=C(N[C@H]1CCN(c2ccc(C(F)(F)F)cn2)C1)c1ccc(Cn2ccnc2)cc1 585304584 AXQDWZJLJMTVJX-SFHVURJKSA-N 415.419 3.354 0 40 HGAB FC(F)c1cc(N2CCN(c3ncc(Br)cn3)CC2)nc(C2CC2)n1 1888864414 JRJPWMPGZQTDFW-UHFFFAOYSA-N 411.254 3.171 0 40 HGAB COc1ccc([C@@H]2SCCN2S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1OC 800832 SVBWCCAUULIXQZ-IBGZPJMESA-N 422.528 3.099 0 40 HGAB COc1cccc(-n2c(SCC(=O)N3CCCCC3)nnc2-c2ccccn2)c1 1362500 ILEMWVPCPQOBIC-UHFFFAOYSA-N 409.515 3.443 0 40 HGAB Cc1ccc(N2CN=c3s/c(=C\c4ccc(Cl)cc4)c(=O)n3C2)cc1Cl 2258671 CZUOFTXSXDXQFK-IUXPMGMMSA-N 404.322 3.409 0 40 HGAB O=C1COc2ccc(C(=O)CSc3nnc(NCc4ccccc4)s3)cc2N1 2616737 UXPZECLLGRBMLH-UHFFFAOYSA-N 412.496 3.456 0 40 HGAB COCCn1c(SCc2cc(=O)oc3cc(OC)ccc23)nc2ccccc2c1=O 3299636 UPIHQPOJEBXHSK-UHFFFAOYSA-N 424.478 3.450 0 40 HGAB CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1 3360260 FFYVXTKNPHWIMK-UHFFFAOYSA-N 424.478 3.170 0 40 HGAB Cc1cccc(-n2nnnc2SCc2nc(N)nc(Nc3ccccc3C)n2)c1 3362325 RKAIGKIVTJNRCD-UHFFFAOYSA-N 405.491 3.082 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)Nc2ccc(OC)c(OC)c2)cc1 3362924 LSFGPXQHGIWJNT-NTEUORMPSA-N 418.515 3.386 0 40 HGAB C[C@H]1CCc2c(C(=O)N3CCN(S(=O)(=O)c4cccs4)CC3)csc2C1 3414463 XAQGFYNIWOTICI-ZDUSSCGKSA-N 410.586 3.081 0 40 HGAB O=C(CSc1nc2ccccc2c(=O)n1CCCO)Nc1ccccc1Cl 3455148 AGKZKOKCPQIADG-UHFFFAOYSA-N 403.891 3.163 0 40 HGAB COc1cc(OC)cc(C(=O)NC(=S)Nc2ccc(Br)c(C)n2)c1 4122585 MMUMYAUCPUADTQ-UHFFFAOYSA-N 410.293 3.297 0 40 HGAB COc1ccc(N2C(=O)[C@H]3N=NN(Cc4ccc(Cl)cc4)[C@H]3C2=O)cc1Cl 4484035 GXJBAEVXEWZFHZ-JKSUJKDBSA-N 405.241 3.495 0 40 HGAB Cc1ccc(OCC(=O)N2CCN(C3CCN(Cc4ccccc4)CC3)CC2)cc1 4745975 YFZYHQWURDAYAZ-UHFFFAOYSA-N 407.558 3.183 0 40 HGAB COc1ccc(OC)c(NC(=O)CSc2nnc3ccc(-c4ccco4)nn23)c1 5168171 VLEKBNVOMXSUJY-UHFFFAOYSA-N 411.443 3.132 0 40 HGAB CCOc1ccc(NC(=O)CSc2nnc3ccc(-c4ccccn4)nn23)cc1 5168342 HDIXLECNWUFODK-UHFFFAOYSA-N 406.471 3.316 0 40 HGAB O=C(CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O)Nc1ccccc1OC(F)F 6552974 QENMPPNEKBJIQB-NRFANRHFSA-N 415.396 3.010 0 40 HGAB COc1ccc([C@H]2N=C(Nc3ccc(F)cc3)Nc3nc(C)cc(=O)n32)c(OC)c1 6662245 DYSGFAQCQSESND-IBGZPJMESA-N 409.421 3.149 0 40 HGAB CC(C)(C)NC(=O)NC(=O)CSc1nnc(-c2c[nH]c3ccccc23)n1C1CC1 7790153 JLFCTEOVQZYUGX-UHFFFAOYSA-N 412.519 3.478 0 40 HGAB COc1cccc(NC(=O)COc2ccc(C(=S)N3C[C@H](C)O[C@@H](C)C3)cc2)c1 8271061 KSTSBDBDMVPGMC-HOTGVXAUSA-N 414.527 3.497 0 40 HGAB CCc1nnc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(OC)c3)cc2)s1 9354505 WRBDAUAJSQHHNY-UHFFFAOYSA-N 418.500 3.162 0 40 HGAB CCCOc1ccccc1NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 9467545 RCIHHSUQCCODSO-UHFFFAOYSA-N 424.544 3.061 0 40 HGAB COc1ccc(-c2nnc(SCC(=O)N3CCC(c4ccccc4)=N3)o2)c(OC)c1 9781898 DWLMAABTGLUQEG-UHFFFAOYSA-N 424.482 3.483 0 40 HGAB CN(Cc1ccc2ccccc2c1)C(=O)NCc1ccccc1S(=O)(=O)N(C)C 10587979 RNDYOTLIGCRBDJ-UHFFFAOYSA-N 411.527 3.432 0 40 HGAB CCCCN(C(=O)CSc1nccn1-c1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 11197461 CHVVFRACKKEMMG-SFHVURJKSA-N 421.588 3.089 0 40 HGAB CCOc1ccc(NC(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)cc1OCC 11531427 CNGJVEJQINXBCI-UHFFFAOYSA-N 401.854 3.430 0 40 HGAB Cc1cc(C)cc(OCC(=O)N(Cc2ccccc2F)[C@H]2CCS(=O)(=O)C2)c1 12062684 XAPXLKMXYLHVER-SFHVURJKSA-N 405.491 3.037 0 40 HGAB Nc1nc(COC(=O)c2ccc(C(F)(F)F)cc2N)nc(Nc2ccc(F)cc2)n1 12515349 PLGJMEOEUQWXAS-UHFFFAOYSA-N 422.342 3.295 0 40 HGAB Cc1cc(=O)c(C(=O)Nc2ccc(N3CCOCC3)cc2)nn1-c1ccc(Cl)cc1 12554671 NMVZARWLYUQSCX-UHFFFAOYSA-N 424.888 3.283 0 40 HGAB C[C@H](OC(=O)[C@@]12CCC(=O)N1c1ccccc1S2)C(=O)Nc1ccc(F)cc1 12748784 VLSLJXKCSXGJIE-YUNKPMOVSA-N 400.431 3.325 0 40 HGAB CN(Cc1cccc(F)c1)C(=O)NCc1ccccc1S(=O)(=O)N1CCCCC1 12943648 UNFFJKPNLCPXCW-UHFFFAOYSA-N 419.522 3.342 0 40 HGAB CCOc1ccc(NS(=O)(=O)c2ccc(Br)c(C(=O)O)c2)cc1 13345415 BPSZQHRQGMYJGC-UHFFFAOYSA-N 400.250 3.347 0 40 HGAB CCOc1ccc(N([C@H](C)C(=O)Nc2cccc(OCC)c2)S(C)(=O)=O)cc1 13648529 VZYORUPLXNJIFK-OAHLLOKOSA-N 406.504 3.277 0 40 HGAB COc1ccc(S(=O)(=O)NCC2CCC(C(=O)Nc3cccc(O)c3)CC2)cc1 13685560 IYAZCJOXRBKAON-UHFFFAOYSA-N 418.515 3.124 0 40 HGAB COc1cc(-c2nc(C)c(C(=O)NCCCn3ccnc3)s2)cc(OC)c1OC 13686930 ZTIQAJRFYIIKEE-UHFFFAOYSA-N 416.503 3.161 0 40 HGAB CS(=O)(=O)N1CCC(C(=O)Nc2nc(-c3ccc4c(c3)CCCC4)cs2)CC1 13704891 HPTPIOZHSDUSHN-UHFFFAOYSA-N 419.572 3.299 0 40 HGAB CCN(CC)c1ccc(NC(=O)Cn2cnc(-c3ccc(OC)cc3)cc2=O)cc1 13807193 BWZXELAKALSNIG-UHFFFAOYSA-N 406.486 3.404 0 40 HGAB Cc1nc2ccccc2n1Cc1nnc2sc(Cc3ccc4c(c3)OCCO4)nn12 13943928 KHVUQCKAFQNUHS-UHFFFAOYSA-N 418.482 3.254 0 40 HGAB COc1ccc2cc([C@]3(C)NC(=O)N(CC(=O)NC4CCCCC4)C3=O)ccc2c1 14117792 OIGOCRGBKXULDU-QHCPKHFHSA-N 409.486 3.064 0 40 HGAB O=C(CNC(=O)c1ccc(Br)o1)NCCSc1ccc(Cl)cc1 14252782 YKDVRZBFDDKCBS-UHFFFAOYSA-N 417.712 3.334 0 40 HGAB COc1ccc(S(=O)(=O)NCc2ccc(C)cc2)cc1C(=O)N1CCC(C)CC1 14399374 LCOUCXKOZFWGSW-UHFFFAOYSA-N 416.543 3.354 0 40 HGAB COc1ccc(CN(C)C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)cc1 14820115 IKNUBSXZXXTZGO-UHFFFAOYSA-N 422.934 3.405 0 40 HGAB Cc1ccc(C(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)cc1F 15423524 XDXUXWJCRFEZCD-UHFFFAOYSA-N 412.870 3.061 0 40 HGAB CC(C)NC(=O)CSC1=Nc2ccccc2C2=N[C@H](Cc3ccccc3)C(=O)N12 15783462 AIBSGIPNFZXLOZ-GOSISDBHSA-N 406.511 3.146 0 40 HGAB CC(C)Oc1ccccc1NC(=O)c1ccc(N2C(=O)[C@H](C)CS2(=O)=O)cc1 15842962 TVBRUZGFJOVHFV-CQSZACIVSA-N 402.472 3.039 0 40 HGAB Cc1cc(-n2c(C)cc(C(=O)CSc3n[nH]c(=O)n3Cc3ccccc3)c2C)no1 16050874 RFNCTCYZXDZPRI-UHFFFAOYSA-N 423.498 3.299 0 40 HGAB Cc1ccc(-c2nc(NCC(=O)O)ncc2-c2nnnn2-c2ccc(Cl)cc2)cc1 16311051 JLRUTYZTCVPGAL-UHFFFAOYSA-N 421.848 3.245 0 40 HGAB CN(CC(=O)N(C)CC(=O)Nc1ccccc1C(F)(F)F)Cc1cccc(F)c1 16374284 HZIPZAIAJLWXNR-UHFFFAOYSA-N 411.399 3.373 0 40 HGAB O=C(NCCSCc1ccc(Br)s1)c1n[nH]c(=O)c2ccccc12 18108740 OSYYQYGSCUOFCL-UHFFFAOYSA-N 424.345 3.410 0 40 HGAB Cc1cc(-c2cnc(N3CCCC3)nc2[C@H]2CCCN(C(=O)c3cccnc3)C2)on1 19122171 PNSUAXCNGRJTAG-SFHVURJKSA-N 418.501 3.455 0 40 HGAB Cc1ccc([C@H](NC(=O)[C@@H](C)Oc2ccc(-n3cnnn3)cc2)c2cccnc2)cc1 19136574 MZHDMAUHNGSPDR-VGSWGCGISA-N 414.469 3.039 0 40 HGAB Cc1ccc(-c2cc(-c3ccc(F)cc3)nn2CCNC(=O)c2ccn(C)n2)nc1 19216195 QLNOAKXKHVTPGT-UHFFFAOYSA-N 404.449 3.223 0 40 HGAB FC(F)(F)c1ccc(-c2noc(CN3CCCC[C@@H]3CN3CCOCC3)n2)cc1 19336971 BPWCNQUJHOIATI-QGZVFWFLSA-N 410.440 3.442 0 40 HGAB CCc1cc(C(F)(F)F)c2c([C@H]3CCCN(C(=O)CCn4cncn4)C3)noc2n1 19521964 NEFHVADEDRWQET-LBPRGKRZSA-N 422.411 3.192 0 40 HGAB COc1cccc([C@@H]2CNC[C@H]2c2cc(O)nc(NCCCc3ccccn3)n2)c1 19566202 NMXYYYXPVOYCSH-VQTJNVASSA-N 405.502 3.101 0 40 HGAB COc1ccc([C@@H](CN(C)C(=O)Cc2ccc(OC)c(C)c2)N2CCOCC2)cc1 19571000 LSAUKYAYBDADIT-JOCHJYFZSA-N 412.530 3.087 0 40 HGAB O=C(NC1CCCCC1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1 20007591 CFYAUXLLJOOXSG-HXUWFJFHSA-N 404.507 3.164 0 40 HGAB O=C(Nc1ccccc1F)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1 20007794 ZQCSCSFYNVCZAP-FQEVSTJZSA-N 416.449 3.493 0 40 HGAB O=C(NCc1cccnc1)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl 20495511 HYDPBRASQIJYDW-UHFFFAOYSA-N 401.875 3.466 0 40 HGAB CCN(c1cc(OC)c(OC)cc1C(=O)Nc1ccc(Cl)cc1)S(C)(=O)=O 22251924 OEHPSFZACOWVRU-UHFFFAOYSA-N 412.895 3.395 0 40 HGAB O=C(CCc1nc(-c2cccs2)no1)Nc1cccc(-c2nnnn2C2CC2)c1 22320541 QEGLSEMZKDXTHF-UHFFFAOYSA-N 407.459 3.358 0 40 HGAB CC(=O)c1ccccc1NC(=O)[C@H](C)Sc1nnc(N(C(C)=O)C2CC2)s1 22520877 VSXBJVOJTBKXGH-NSHDSACASA-N 404.517 3.375 0 40 HGAB Cc1cc(C)n(-c2cc(N3CCN(C(=O)c4cccc5ccccc45)CC3)ncn2)n1 23144341 NSUSCOHKZBAJKJ-UHFFFAOYSA-N 412.497 3.395 0 40 HGAB CCC(=O)c1ccc(OC[C@@H](O)CN2CCC(C(=O)NCc3ccccc3)CC2)cc1 24541247 BTEGXLJSVFJXIS-QFIPXVFZSA-N 424.541 3.047 0 40 HGAB CC(C)c1ccc(-c2noc(CN3C(=O)C(=O)N(CCc4cccs4)C3=O)n2)cc1 24978341 UWWZHVLULDVHDZ-UHFFFAOYSA-N 424.482 3.455 0 40 HGAB COc1ccc(CN2CCN(C(=O)CCc3c[nH]c4ccccc34)CC2)cc1OC 25201445 NCTCZCRPNCLSLY-UHFFFAOYSA-N 407.514 3.462 0 40 HGAB Cc1nn(Cn2ccc(C(=O)N3CCc4ccccc4C3)n2)c(C)c1Br 27973642 RBUZUFPAFZWAJB-UHFFFAOYSA-N 414.307 3.163 0 40 HGAB CSc1ncc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)n1-c1ccccc1 29690910 DHNAVZWLZNGSTN-UHFFFAOYSA-N 406.511 3.192 0 40 HGAB Cc1cccc(N2CCN(CCCCNS(=O)(=O)Cc3ccc(F)cc3)CC2)c1 30361212 GCRAIKANKIUHLI-UHFFFAOYSA-N 419.566 3.156 0 40 HGAB CSc1cccc(NC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)c1 30757194 QKZPXLSGTWXBAD-INIZCTEOSA-N 412.920 3.228 0 40 HGAB CCS(=O)(=O)N1C[C@@H](C(=O)N[C@@H](C)c2ccc(C)cc2C)Oc2ccccc21 30861960 PLPXYVDMQMXNDE-JXFKEZNVSA-N 402.516 3.098 0 40 HGAB COC(=O)c1cn(-c2ccccc2NC(=O)c2cc(Br)ccc2F)nn1 31622783 IAYDKSUHIJYZJY-UHFFFAOYSA-N 419.210 3.208 0 40 HGAB Cc1occc(=O)c1OCc1ccc(-c2noc(C(=O)NCc3ccco3)n2)cc1 32073345 DVHLBAMWVJQIQO-UHFFFAOYSA-N 407.382 3.100 0 40 HGAB CSc1ccc(N2C[C@H](C(=O)N(C)C[C@@H]3COc4ccccc4O3)CC2=O)cc1 32909320 NHSLESHKLZXXOR-NVXWUHKLSA-N 412.511 3.060 0 40 HGAB COc1ccc(OC)c(NC(=O)CN2C(=O)NC3(CCC(C(C)(C)C)CC3)C2=O)c1 36708764 SCPITMWEUNZNGT-UHFFFAOYSA-N 417.506 3.169 0 40 HGAB O=c1c(Cl)c(NCc2ccccc2CN2CCOCC2)cnn1Cc1ccccc1 39982742 DRYOOHZLAAUWJN-UHFFFAOYSA-N 424.932 3.389 0 40 HGAB Cc1nc2ccc(C(=O)N3CCN(C(=O)Nc4ccc(F)cc4)CC3)cc2nc1C 40072285 KXRRNLJWEJKZRJ-UHFFFAOYSA-N 407.449 3.376 0 40 HGAB CCOC(=O)[C@H]1CSCCN1S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 40086240 MBQVVWXIDMQTHL-GFCCVEGCSA-N 417.858 3.028 0 40 HGAB O=C(Nn1ccc2c(cnc3c(-c4ccc(F)cc4)cnn32)c1=O)c1ccc(F)cc1 40396682 IMOMDFZKEZGSHR-UHFFFAOYSA-N 417.375 3.373 0 40 HGAB Cc1ccc(OCC(=O)NCc2cc(=O)n3nc(-c4ccccc4C)sc3n2)cc1 41078126 ZAWNHHHTVYMMAA-UHFFFAOYSA-N 420.494 3.130 0 40 HGAB Cc1c(NC(=O)c2cc3sccc3n2Cc2ccccc2F)c(C(N)=O)nn1C 44901981 LHKMZUXABBRYLO-UHFFFAOYSA-N 411.462 3.283 0 40 HGAB O=C(NCCCc1ccccc1)c1ccc(CS(=O)(=O)N2CCCCC2)cc1 44949901 PNDOYMPUYGDHHN-UHFFFAOYSA-N 400.544 3.365 0 40 HGAB CN1C[C@H](C(=O)OCC(=O)Nc2c(Cl)c(Cl)cc(Cl)c2Cl)CC1=O 47735811 NKPDGTGBVDJVHO-ZCFIWIBFSA-N 414.072 3.260 0 40 HGAB Cc1cc(=O)c(C(=O)NCc2ccc(N3CCCCCC3)nc2)nn1-c1ccccc1 48277635 BEQGNGRGZKEPRA-UHFFFAOYSA-N 417.513 3.246 0 40 HGAB Cc1cc(C)n(-c2ccc(CNC(=O)Cn3c(C)csc3=O)c(C(F)(F)F)c2)n1 48353711 HQWKWEHURYZDDZ-UHFFFAOYSA-N 424.448 3.356 0 40 HGAB CCOC(=O)CN(CC1CC1)C(=O)Cc1csc(-c2ccc(OC)c(OC)c2)n1 57994331 MTYHPQZIHPYQNX-UHFFFAOYSA-N 418.515 3.172 0 40 HGAB O=C([C@H](c1ccccc1)S(=O)(=O)Cc1cc(Cl)c2c(c1)OCO2)N1CCCC1 61783096 REAPLGPYTAUMCA-IBGZPJMESA-N 421.902 3.347 0 40 HGAB CS(=O)(=O)N1CCC[C@@H](NCc2ccc(-c3ccc(C(F)(F)F)cc3)o2)C1 62258894 GSXNHWRIOCFHAI-OAHLLOKOSA-N 402.438 3.479 0 40 HGAB O=C(CSc1nnc(-c2ccc3c(c2)OCCCO3)n1-c1ccccc1)NC1CC1 64987309 IRVSQASGDDBGCA-UHFFFAOYSA-N 422.510 3.466 0 40 HGAB C[C@H](c1ccccc1)N1CC[C@H](NC(=O)CCCn2nnc(-c3ccccc3)n2)C1 69929038 QFUNEIXGZALZOI-NQIIRXRSSA-N 404.518 3.072 0 40 HGAB CCN(CC)C(=O)CN1N=C(c2ccc(OC)cc2)Cn2c(cc3sccc32)C1=O 72334552 XILDEXSULUTJRY-UHFFFAOYSA-N 424.526 3.440 0 40 HGAB CCNC(=O)N1CCC[C@H](CN2CCc3onc(Nc4cccc(F)c4)c3C2)C1 72352956 QVEFKHXAZICWHT-OAHLLOKOSA-N 401.486 3.357 0 40 HGAB COc1cc2c(cc1CN1CCC(c3cc(O)nc(-c4cccnc4)n3)CC1)OCO2 72392784 AWTXVTWBWDSDTI-UHFFFAOYSA-N 420.469 3.361 0 40 HGAB CN(CCO)[C@@H]1c2cc(-c3ccccc3)cnc2Sc2nc(-c3cccnc3)nn21 72396306 VPAIEGLEGAZZLO-NRFANRHFSA-N 416.510 3.338 0 40 HGAB O=C(OC1CN(c2nc3c(F)cc(F)cc3s2)C1)c1cnn(-c2ccccc2)n1 77101435 NWBQAPLYPNCFGQ-UHFFFAOYSA-N 413.409 3.201 0 40 HGAB COc1ccc(OCCCC(=O)N[C@@H](C(=O)Nc2cn[nH]c2)c2ccccc2)cc1 89453804 NRARNQOGHHYBJT-OAQYLSRUSA-N 408.458 3.074 0 40 HGAB COc1ccc(/C=C2/SC(=O)N(CC(=O)N[C@@H]3CCCC[C@H]3C)C2=O)cc1OC 89927681 WBNCKQLRAWTVIR-VWOREBHZSA-N 418.515 3.435 0 40 HGAB NS(=O)(=O)c1cc(C(=O)NCC2CCCCCCC2)sc1Br 95385767 PTBQGZVKENAYNT-UHFFFAOYSA-N 409.371 3.248 0 40 HGAB O=C(NCCn1ccc2c(Cl)cccc21)c1cc(Cl)ccc1-n1cnnn1 96345086 ZNXYXOMVBFLBDV-UHFFFAOYSA-N 401.257 3.354 0 40 HGAB COc1cccc(CCNC(=O)[C@H]2C[C@@H]3CC[C@@H]2C[C@@]32NC(=O)c3ccccc3N2)c1 100117826 IOZBHVINFLTJKN-KPEVFZTJSA-N 419.525 3.342 0 40 HGAB Cc1cc(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)Nc3cccc5ccccc35)[C@H]4C2=O)no1 106022105 AXKDXJQYOWITQX-OYWYANMWSA-N 401.422 3.061 0 40 HGAB COc1ccccc1CNC(=O)CCCN(c1cccc(C)c1C)S(C)(=O)=O 113961528 LQCXAIUFRLVQRN-UHFFFAOYSA-N 404.532 3.175 0 40 HGAB COc1cccc(CCCNC(=O)c2ccc(C)c(N3CCCCS3(=O)=O)c2)c1 222571580 MEXCMRTZMQUKSY-UHFFFAOYSA-N 416.543 3.296 0 40 HGAB O=S(=O)(NCC1CCN(c2cccnc2)CC1)c1ccc(Br)cc1 225656255 GNYFSSSXCHOXPH-UHFFFAOYSA-N 410.337 3.039 0 40 HGAB S=C(NCc1ccc2c(c1)OCCO2)Nc1nc(Cl)cc(N2CCCCC2)n1 226016022 SMOCRXDAPDNAPB-UHFFFAOYSA-N 419.938 3.378 0 40 HGAB COc1ccc(N(CCCC(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)S(C)(=O)=O)cc1Cl 250395887 HRKSPQOJCCAJDL-GRDNDAEWSA-N 414.955 3.200 0 40 HGAB CCOCC(=O)N1CC[C@H](Oc2cccc(Cl)c2)[C@@H](CC(=O)N2CCCCC2)C1 257200432 ADHXZFOYAMOXHW-PXNSSMCTSA-N 422.953 3.375 0 40 HGAB Cc1nc([C@@H]2CCN(Cc3ccncc3)C2)nc(C)c1CC(=O)NC1CCCCC1 257253821 KAJWJHOFPWDWHA-HXUWFJFHSA-N 407.562 3.469 0 40 HGAB COc1ccc2c(c1)C=C(CN1CCO[C@H](c3cccc(-c4cn[nH]c4)n3)C1)CO2 257329978 XMFZGUHZTHTLNC-QHCPKHFHSA-N 404.470 3.330 0 40 HGAB O=C(NCc1ccccc1)c1nnc2n1C[C@H]1CN(Cc3ccc(Cl)cc3)C[C@@H]1C2 306132052 KWOZQSAPOSINPM-RBUKOAKNSA-N 421.932 3.166 0 40 HGAB CCCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccccc2OCC)cc1 408560390 ZAQXUOQLTNMLRP-UHFFFAOYSA-N 406.504 3.181 0 40 HGAB NC(=O)COc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1Cl 408597662 ZXNAJMGZWAYDQM-UHFFFAOYSA-N 408.785 3.024 0 40 HGAB COc1cccc(Nc2nnc(CCS(=O)(=O)c3ccc(C)c(C)c3)s2)c1 408603973 CJSABDUHXKVBDH-UHFFFAOYSA-N 403.529 3.924 0 40 HGAB CCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)cc1NC(=O)CC 408697070 GZHBBHAVGLPXKW-UHFFFAOYSA-N 406.460 3.006 0 40 HGAB CCOc1ccc(N([C@H](C)C(=O)Nc2cccc(C(C)=O)c2)S(C)(=O)=O)cc1 409028213 JCYCSAVSEBYDCP-CQSZACIVSA-N 404.488 3.081 0 40 HGAB Cc1ncc2c(n1)CC[C@H](NC(=O)N1CCO[C@@H](c3ccc(OC(F)F)cc3)C1)C2 535033560 WONHIYFCTYPEFU-QFBILLFUSA-N 418.444 3.027 0 40 HGAB O=S(=O)(Cc1noc2ccccc12)NC1(c2ccc3c(c2)OCCO3)CCCC1 545471233 VQBKDKAELGFVCU-UHFFFAOYSA-N 414.483 3.488 0 40 HGAB O=C(NCCn1nc(-c2ccccc2)n(C2CC2)c1=O)c1ccc(F)cc1Cl 585199935 DLDMVQDQNIEJAE-UHFFFAOYSA-N 400.841 3.269 0 40 HGAB O=C(c1ccccc1C(F)(F)F)N1CC(Cn2nc(-c3ccncc3)ccc2=O)C1 585605664 LFJHXQXAGXWKGE-UHFFFAOYSA-N 414.387 3.096 0 40 HGAB c1nc(N2CC[C@@H](N3CCCCC3)C2)nc(N2CC[C@H](N3CCCCC3)C2)c1C1CC1 677955287 FOJRYMFQHSZZLE-FCHUYYIVSA-N 424.637 3.483 0 40 HGAB COc1ccc(C(C)C)cc1S(=O)(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 1191705790 CNRJUVCXHAYSCX-UHFFFAOYSA-N 415.515 3.417 0 40 HGAB C=CC(=O)Nc1cccc(C(=O)N2CCC[C@@H]2c2ncc(Br)cn2)c1 1652371179 RHCRIMHAWMYFNJ-OAHLLOKOSA-N 401.264 3.341 0 40 HGAB O=S(=O)(NC[C@@H](O)c1ccc(-c2ccsc2)s1)c1ccc2c(c1)CCO2 1775969764 KKLLNIYZXXWUDF-OAHLLOKOSA-N 407.538 3.423 0 40 HGAB O=C(Cc1ccc(F)cc1)N1CCC(COc2ncc(Br)cn2)CC1 1775996280 ORDBXPIUWWKRNB-UHFFFAOYSA-N 408.271 3.238 0 40 HGAB O=C1COC[C@]2(CN(Cc3c(F)cccc3Cl)CCO2)CN1c1ccccc1 2037983836 IAXVTLDECKUUTB-NRFANRHFSA-N 404.869 3.114 0 40 HGAB O=C(NC[C@H]1CCC[C@]2(CCN(Cc3ccc(F)c(F)c3)C2)O1)c1cscn1 2055746314 NIRVOQOZDVSPCJ-FOIQADDNSA-N 407.486 3.365 0 40 HGAB NC(=O)c1c(NC(=O)c2cccc(NC(=O)C(F)(F)F)c2)sc2c1CCCC2 1057922 LVJXQDUWURHVNO-UHFFFAOYSA-N 411.405 3.479 0 40 HGAB COC(=O)[C@H](NC(=O)Cc1nc(-c2cccc(C(F)(F)F)c2)no1)c1ccccc1 1390546 UWJQYZUUGNIVND-QGZVFWFLSA-N 419.359 3.328 0 40 HGAB COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)CN1CCC[C@H](C)C1 2296097 MIJMCROWXZIUCA-NSHDSACASA-N 408.296 3.387 0 40 HGAB O=C(CSc1nnc(NC(=O)[C@@H]2COc3ccccc3O2)s1)c1ccccc1 2594757 JXHRBLZSRRWQFW-INIZCTEOSA-N 413.480 3.292 0 40 HGAB Cc1nn(-c2ccccc2)c(C)c1C(=O)OCC(=O)Nc1ccc2c(c1)OCCO2 2616918 DARXCAZKPWOGGD-UHFFFAOYSA-N 407.426 3.056 0 40 HGAB NC(=O)c1ccc(NC(=O)CSc2nnc(Nc3ccccc3F)s2)cc1 2655507 ZDYLFUADQVQDAZ-UHFFFAOYSA-N 403.464 3.251 0 40 HGAB Cc1cccc2cc(CN(Cc3ccco3)C(=S)NCCCN(C)C)c(=O)[nH]c12 4131748 QYIPCGOFADDUJB-UHFFFAOYSA-N 412.559 3.258 0 40 HGAB Cc1cccc(C)c1N1CCN(S(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)CC1 4973659 AESDDWZZXFHKGZ-AVRDEDQJSA-N 404.576 3.151 0 40 HGAB COc1ccc2c(COC(=O)c3nn(-c4ccccc4)cc3OC)cc(=O)oc2c1 6539324 SEDGOILEKSARCL-UHFFFAOYSA-N 406.394 3.353 0 40 HGAB COc1ccc(OCCNC(=O)c2nn(-c3ccc(Cl)cc3)c(C)cc2=O)cc1 7816041 IDDFVSCMUHBRHP-UHFFFAOYSA-N 413.861 3.012 0 40 HGAB COCCn1c(SCc2nccn2C(F)F)nc2sc3c(c2c1=O)CCC3 8706411 OLOCYHDPPBHAMS-UHFFFAOYSA-N 412.487 3.477 0 40 HGAB CCOC(=O)C1=NO[C@H](CN(c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)C1 8762837 YCSDXWJCICKNCZ-INIZCTEOSA-N 422.890 3.243 0 40 HGAB COc1ccc(OC)c(C2=NO[C@]3(C(=O)Nc4ccccc43)[C@H]2C(=O)c2ccco2)c1 9129794 TWQSYBDEUGQNEV-XXBNENTESA-N 418.405 3.378 0 40 HGAB C[C@H](Sc1nc(-c2cccs2)n[nH]1)C(=O)c1ccc(NS(C)(=O)=O)cc1 9157175 ZVSLUWFTFAVQRZ-JTQLQIEISA-N 408.530 3.268 0 40 HGAB COc1ccc(C)cc1S(=O)(=O)N1CCC[C@@H](C(=O)NCCC2=CCCCC2)C1 9225915 SLWMYYHFJRCGKB-LJQANCHMSA-N 420.575 3.411 0 40 HGAB COc1cccc(-n2cnnc2SCC(=O)c2cccc(N3CCCC3=O)c2)c1 9366065 SEBSMYYVSVIWEH-UHFFFAOYSA-N 408.483 3.378 0 40 HGAB COc1cc(CNCc2cccnc2)ccc1OCc1ccc2c(c1)n(C)c(=O)n2C 9423323 WHAFSZPUIXHYJI-UHFFFAOYSA-N 418.497 3.149 0 40 HGAB COc1ccc(-c2ccc(=O)n(CCNC(=O)c3cc(Cl)ccc3OC)n2)cc1 9660868 FYKLISGRMMOJCY-UHFFFAOYSA-N 413.861 3.011 0 40 HGAB CS(=O)(=O)c1ccccc1C(=O)Nc1nnc(-c2ccc(Br)cc2)o1 9712675 DCPSDZMHZURTFL-UHFFFAOYSA-N 422.260 3.155 0 40 HGAB O=C(CSc1nnc2ccc(-c3ccc(Br)cc3)nn12)N1CCCC1 9829119 QBTSENQQEGHOSR-UHFFFAOYSA-N 418.320 3.268 0 40 HGAB CCN1C[C@@H](CN(C)CC(=O)Nc2cc(C)nn2-c2ccccc2)Oc2ccccc21 9836090 XCGTUMPOHRYVDB-HXUWFJFHSA-N 419.529 3.339 0 40 HGAB COc1ccc(S(=O)(=O)Nc2cccc(OC(C)C)c2)cc1C(=O)NC(C)C 10009047 QVHSDPOJOSRTKM-UHFFFAOYSA-N 406.504 3.421 0 40 HGAB O=C(OCc1ncc(-c2ccc(F)cc2)o1)c1sccc1S(=O)(=O)NC1CC1 10566939 VKPNGMIIPSTJIM-UHFFFAOYSA-N 422.459 3.340 0 40 HGAB NC(=O)c1c(NC(=O)CCCS(=O)(=O)Cc2ccccc2)sc2c1CCCC2 10687011 IVPYPPGNJQHTOU-UHFFFAOYSA-N 420.556 3.060 0 40 HGAB CS(=O)(=O)N1CCc2cc(C(=O)OCc3cc(-c4cccs4)on3)ccc21 10755806 ZONZSQXSHDXQAN-UHFFFAOYSA-N 404.469 3.082 0 40 HGAB C[C@H](C1CC1)N(CC(F)(F)F)C(=O)CSc1nnc(-c2cccs2)n1N 11592341 SWTKRKZSQSXTIW-SECBINFHSA-N 405.471 3.002 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCN(c3ccc(-c4ccc(F)cc4)nn3)CC2)s1 11695351 RXLRPFXSIVVEGU-UHFFFAOYSA-N 418.519 3.164 0 40 HGAB COc1cccc(COc2coc(C(=O)Nc3cc(OC)ccc3OC)cc2=O)c1 11963296 AKMZTXOCOQOTDI-UHFFFAOYSA-N 411.410 3.497 0 40 HGAB O=C1CCCN1c1ccc(S(=O)(=O)Nc2ccc(OC[C@H]3CCCO3)cc2)cc1 12143863 BZLGTGXVLSGESJ-LJQANCHMSA-N 416.499 3.172 0 40 HGAB COc1ccc(NS(=O)(=O)c2ccc(C(=O)N[C@H](C)c3ccccn3)cc2)cc1 12605116 ZDBLHTYPPZFBCD-OAHLLOKOSA-N 411.483 3.382 0 40 HGAB CC(=O)Nc1ccc(-c2csc(NC(=O)CCc3c(C)nc(C)[nH]c3=O)n2)cc1 12745051 NQLRCZBXYDRTDC-UHFFFAOYSA-N 411.487 3.040 0 40 HGAB Cc1nc(CCNC(=O)[C@@H](NC(=O)c2ccc(Br)cc2)C(C)C)cs1 12770710 JZXPOIBBFBSHQA-INIZCTEOSA-N 424.364 3.327 0 40 HGAB CCN(CC)Cc1ccc(CNC(=O)Cn2cnc3c(oc4ccccc43)c2=O)cc1 12975997 WGWRLANXJDPKJG-UHFFFAOYSA-N 418.497 3.301 0 40 HGAB CC[C@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1 13681515 ZZWBSFYVGCVFBM-JSGCOSHPSA-N 407.363 3.450 0 40 HGAB C[C@@]12C[C@@H](c3ccccc3O1)[C@@H](C(=O)Nc1ccc(Br)cc1)C(=O)N2 13880260 UFPTYQFRZUSDQW-QOKNQOGYSA-N 401.260 3.416 0 40 HGAB CN(CC(=O)NCc1ccco1)C(=O)c1cc(-c2cccnc2)nc2ccccc12 14049867 SBCGVJPLHHSJGI-UHFFFAOYSA-N 400.438 3.278 0 40 HGAB COc1ccccc1-n1nnnc1SC[C@@H](O)COc1cccc2ccccc12 14238279 NOPZDRCDMNTHCF-INIZCTEOSA-N 408.483 3.356 0 40 HGAB COC(=O)c1ccc([C@@H]2c3ccc(OC(C)=O)cc3Oc3nc(C)[nH]c(=O)c32)cc1 15083232 DSIACCKQFMOPAE-GOSISDBHSA-N 406.394 3.076 0 40 HGAB C[C@H](OC(=O)c1ccc2ccccc2n1)C(=O)N1CCN(Cc2ccccc2)CC1 16221161 KDHCWBXDUSJNEL-SFHVURJKSA-N 403.482 3.125 0 40 HGAB COc1ccc(N2C[C@H](C(=O)NCc3cc(-c4ccccc4F)on3)CC2=O)cc1 16838525 ZGGJGENPWYYOCV-CQSZACIVSA-N 409.417 3.159 0 40 HGAB CCC(=O)NC(=S)Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)c(Cl)c1 17092517 RAVUFLLMTQOPKF-UHFFFAOYSA-N 420.922 3.118 0 40 HGAB Cn1cc(CCCC(=O)N2CC[C@@H](c3nc(-c4ncccn4)no3)C2)c2ccccc21 19290431 QDGONMLXEPUNDT-QGZVFWFLSA-N 416.485 3.357 0 40 HGAB CC(C)NC(=O)[C@@H]1CN(Cc2ccsc2)C[C@H]1c1ccnc(N2CCCCC2)n1 19449999 ILUROGDZDAWWBS-RTBURBONSA-N 413.591 3.269 0 40 HGAB CC(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCN(C(=O)[C@@H]4CCCO4)C3)cc2N1 19451318 XIEUEJSGLYGBGP-DARAHFNDSA-N 400.445 3.322 0 40 HGAB CCOC(=O)[C@]1(C)N[C@H](c2ccccc2C)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]21 19529700 KIGAHMOFTZZRJP-UECWXEIQSA-N 406.482 3.075 0 40 HGAB COc1ccc([C@H](CC(=O)N2CCCC2)N(C)S(=O)(=O)c2ccccc2)cc1 19936135 WKNQNRHQLWPVLF-FQEVSTJZSA-N 402.516 3.070 0 40 HGAB COc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(C)cc2)cc1C(=O)N1CCCC1 20460765 LRZMVOOOUJVCDQ-INIZCTEOSA-N 402.516 3.279 0 40 HGAB COc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)NCc3ccco3)cc2)cc1 20465378 ZPAGFZHBXZWZNM-UHFFFAOYSA-N 414.483 3.338 0 40 HGAB O=c1[nH]c(=O)n(-c2cccc(Cl)c2)c2c1CN(Cc1ccccc1Cl)CN2 20495087 FWWMJZSZZNFPHV-UHFFFAOYSA-N 403.269 3.218 0 40 HGAB CC(=O)Nc1cccc(NC(=O)C[C@@H]2CCCCN2S(=O)(=O)c2cccs2)c1 22732538 MSNCNALLKGBBDH-KRWDZBQOSA-N 421.544 3.279 0 40 HGAB O=C(CSc1nnc(N2CCN(c3ccc(F)cc3)CC2)s1)NC1CCCC1 23139869 NZPDTMWYWYZHIU-UHFFFAOYSA-N 421.567 3.155 0 40 HGAB O=C(CN1CCN(c2ccccn2)CC1)N[C@@H](Cc1ccccc1)c1ccccc1 23864622 YGGOEJOXWCCGPB-QHCPKHFHSA-N 400.526 3.304 0 40 HGAB O=S(=O)(N[C@@H](CN1CCOCC1)c1ccccc1)c1ccc(C(F)(F)F)cc1 24259960 XCFFBOSLWLMQCC-SFHVURJKSA-N 414.449 3.057 0 40 HGAB Cc1ccc(SCCNC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)cc1C 24550831 ZVWSFCLHKSOPKZ-INIZCTEOSA-N 412.511 3.294 0 40 HGAB O=C(NCc1ccccc1OC(F)(F)F)[C@H]1CC(=O)N(CCc2ccccc2)C1 24866446 HFYXDUARBCWVCL-KRWDZBQOSA-N 406.404 3.293 0 40 HGAB CN(CCOc1cccc(Cl)c1)S(=O)(=O)c1ccc(N2CCCC2=O)cc1 30505394 GZMFKLKVKSZTTB-UHFFFAOYSA-N 408.907 3.166 0 40 HGAB CC(=O)c1cccc(N2C(SCc3cccc(C)c3)=N[C@H]3CS(=O)(=O)C[C@H]32)c1 32641221 UPKBFVVVOCADOS-VQTJNVASSA-N 414.552 3.473 0 40 HGAB COCCNS(=O)(=O)c1ccc(C(=O)N(C)[C@H](C)c2cc3ccccc3o2)cc1 32753963 XEKSEZLUYIYZFH-OAHLLOKOSA-N 416.499 3.191 0 40 HGAB C#CCN1C(=O)S/C(=C\c2ccc(OCc3ccc(C(=O)O)o3)c(OC)c2)C1=O 34887805 PXGAEYJBCNQXPF-YVLHZVERSA-N 413.407 3.235 0 40 HGAB O=C(CN1CCN(C(=O)CCc2ccccc2)CC1)Nc1ccccc1C(F)(F)F 36448858 RSZCWJBRLHRDFZ-UHFFFAOYSA-N 419.447 3.421 0 40 HGAB COc1ccc2nc(NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(C)=O)sc2c1 40020008 AZOQTZJKLGXYDQ-SFHVURJKSA-N 408.483 3.472 0 40 HGAB C[C@@H]1Oc2ccccc2N(CC(=O)N2CCCC[C@@H]2c2nc3ccccc3n2C)C1=O 40156276 WEEBCMGVPRVTEN-OXJNMPFZSA-N 418.497 3.441 0 40 HGAB O[C@H](COCCOC12CC3CC(CC(C3)C1)C2)CN1CCN(c2ccccc2)CC1 41689843 PNPGRFIEOSNNBJ-JSGDDZNVSA-N 414.590 3.172 0 40 HGAB COc1ccc(Cl)cc1NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(C)cc1 42484757 HXSZMPJACJPWFZ-QGZVFWFLSA-N 408.907 3.449 0 40 HGAB CC[C@H](NC(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(C)ccc2O1)c1ccc(C)c(C)c1 44856575 GJYJGMDOEDYFEO-RXVVDRJESA-N 416.543 3.406 0 40 HGAB O=C(CN1CCc2[nH]c3c(F)ccc(F)c3c(=O)c2C1)Nc1ccccc1Cl 49003230 BTMAHTVHTAFVKU-UHFFFAOYSA-N 403.816 3.457 0 40 HGAB NC(=O)CNC(=O)c1ccc(NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)cc1 60279180 KTIRBWWMEZHLCH-NRFANRHFSA-N 419.506 3.374 0 40 HGAB COC(=O)/C(=C\Nc1ccc2c(c1)OCCO2)S(=O)(=O)c1ccc(C(C)C)cc1 67340532 LJIDHQVCCTWPQF-DEDYPNTBSA-N 417.483 3.481 0 40 HGAB C[C@@H](NC(=O)N1CCN(c2ccc(F)cc2)CC1)C(=O)Nc1ccc2cc[nH]c2c1 71328903 AXHRLWQLQBBWHN-OAHLLOKOSA-N 409.465 3.166 0 40 HGAB CC1(C)N=C(c2ccc(F)cc2)C(=O)N1CC(=O)NCc1ccc(F)c(Cl)c1 71769071 WDMSLRHFOHUZOS-UHFFFAOYSA-N 405.832 3.302 0 40 HGAB O=C(COCc1nc2ccccc2c(=O)[nH]1)N[C@H]1CC2(CCCC2)Oc2ccccc21 72346641 HPBISALBENKRNV-IBGZPJMESA-N 419.481 3.393 0 40 HGAB CNc1nc([C@@H]2CCCN2C(C)=O)nc2c1CN(Cc1ccc(C)cc1OC)CC2 72372384 UZMZZCJPSJTENT-FQEVSTJZSA-N 409.534 3.077 0 40 HGAB O=C(CCn1ncc(=O)c2ccccc21)N(Cc1ccccc1)C[C@H](O)c1ccco1 79054234 ZCXIESNHCQZBPI-QFIPXVFZSA-N 417.465 3.142 0 40 HGAB COc1cc(N[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3C)C2)cc(OC)c1 79111006 XCZNECCDGPEETM-INIZCTEOSA-N 408.495 3.417 0 40 HGAB CCC(=O)NCc1cc(S(=O)(=O)N(Cc2ccccc2)C2CC2)ccc1OC 89941765 MJVFBEQVUZJCFB-UHFFFAOYSA-N 402.516 3.075 0 40 HGAB COC(=O)c1ccccc1NC(=O)CSc1nccc(N2C[C@@H](C)C[C@H](C)C2)n1 90610136 WHIOSBFBVHPGIB-GJZGRUSLSA-N 414.531 3.476 0 40 HGAB O=S(=O)(NCc1nc(-c2cccc(Br)c2)no1)c1ccc(F)cc1 95481632 UIVJEACMQWJYNR-UHFFFAOYSA-N 412.240 3.117 0 40 HGAB CCN1CC[C@@]2(CN(Cc3cccnc3)CC23CCN(Cc2ccsc2)CC3)C1=O 96036459 FWXLTCGITMORMU-XMMPIXPASA-N 424.614 3.480 0 40 HGAB COCc1n[nH]c(-c2cccc(NC(=O)c3cc4c(OC)ccc(OC)c4[nH]3)c2)n1 96117314 UZEQNEVPVSNBLT-UHFFFAOYSA-N 407.430 3.369 0 40 HGAB CN(C)c1ccc(C(=O)N2C[C@H](C(=O)Nc3ccccc3)C3(CCOCC3)C2)cc1 96241125 RFIKYWGAMAUDSP-OAQYLSRUSA-N 407.514 3.260 0 40 HGAB COC(=O)c1ccc(COc2ccc(N3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2)cc1 100391072 XFMPZXUNUMAGRX-IDPBPBMLSA-N 403.434 3.364 0 40 HGAB CCOc1ccc(N2C(=O)C[C@H](N3CCC(C(=O)Nc4ccccc4)CC3)C2=O)cc1 101490903 PHFLYYXQQTWHEF-NRFANRHFSA-N 421.497 3.068 0 40 HGAB O=C1[C@H]2[C@@H](c3ccc(O)cc3)N(c3ccccc3)O[C@H]2C(=O)N1Cc1ccccc1 102708528 POBYBTAFLPYBDN-BHDDXSALSA-N 400.434 3.439 0 40 HGAB CC(=O)c1cccc(NC(=O)CCCC(=O)OCC(=O)Nc2cccc(C(C)=O)c2)c1 139010927 JPAXGVVFQDQUIH-UHFFFAOYSA-N 424.453 3.383 0 40 HGAB CCc1ccc(N([C@@H](C)C(=O)N[C@@H](C)COc2ccccc2C)S(C)(=O)=O)cc1 220290056 IIONAJXEJPUFMO-ROUUACIJSA-N 418.559 3.296 0 40 HGAB CCOc1ccc(CCCNC(=O)[C@@H](C)N(c2cccc(F)c2)S(C)(=O)=O)cc1 220487646 ZSCXNDPXKNQDPE-MRXNPFEDSA-N 422.522 3.128 0 40 HGAB C[C@@H](NC(=O)COc1ccc(N(C)S(C)(=O)=O)cc1)c1ccc2c(c1)CCCC2 223001438 NLISQDSOKJZFQA-MRXNPFEDSA-N 416.543 3.217 0 40 HGAB CCC(=O)N(Cc1ccc(OC)cc1)[C@@H](Cc1ccccc1)C(=O)NC[C@H]1CCCO1 223264506 VYPHJFOEQRQGDO-PKTZIBPZSA-N 424.541 3.340 0 40 HGAB CCOCCCNC(=O)c1ccc(NS(=O)(=O)c2ccc(SC)cc2)cc1 223996155 SAGMPHBTSMOTCE-UHFFFAOYSA-N 408.545 3.366 0 40 HGAB COc1ccc(S(=O)(=O)N(C)c2ccc(I)cc2)cc1 224854501 RGWCJQLVNFSYFQ-UHFFFAOYSA-N 403.241 3.125 0 40 HGAB CCCCn1c(CN2CC[C@H]3CCCC[C@H]3C2)nc2cc(S(N)(=O)=O)ccc21 245237529 MGJMOSOSEXRDQM-SJORKVTESA-N 404.580 3.496 0 40 HGAB O=C(NC1CCCCC1)c1nnc2n1CC1(CCN(Cc3cccc(F)c3)CC1)C2 306135619 OWAYMRFRLCWVKU-UHFFFAOYSA-N 411.525 3.318 0 40 HGAB COc1cc(/C=C2\SC(=O)N(C(C)C)C2=O)cc(I)c1O 409057231 JZHCEJGDHPVKRZ-WDZFZDKYSA-N 419.240 3.450 0 40 HGAB Cc1cc(S(=O)(=O)NCc2ccccc2)ccc1OCC(=O)NCc1ccccc1 409390124 JNFDONOOODIQMB-UHFFFAOYSA-N 424.522 3.169 0 40 HGAB COc1ccc(Cl)cc1NC(=O)CN(Cc1ccc(Cl)cc1)S(C)(=O)=O 409392237 QLMBOHDLGFIDQX-UHFFFAOYSA-N 417.314 3.402 0 40 HGAB COc1ccc(Nc2nc(C(=O)NCc3ccc4c(c3)C(=O)NCC4)cs2)cc1 543611432 LIOBTKNDPMDSAL-UHFFFAOYSA-N 408.483 3.111 0 40 HGAB C[C@]1(N(CCNCc2cccc(F)c2)Cc2cccc(F)c2)CCS(=O)(=O)C1 575421164 NGUKZTMSSZSAEJ-NRFANRHFSA-N 408.514 3.134 0 40 HGAB COC(=O)c1sccc1S(=O)(=O)NC[C@H](O)c1ccc(-c2ccsc2)cc1 585148203 ZMWIBDPLMUWEIP-HNNXBMFYSA-N 423.537 3.275 0 40 HGAB CCCN1CCN(CCC(N)=O)C[C@H](Cc2ccccc2-c2ccc(C)cc2)C1=O 585172752 DZBPCVWVGVFZCL-QFIPXVFZSA-N 407.558 3.250 0 40 HGAB CN(C)C1CCN(C(C)(C)CNCc2cccc(I)c2)CC1 1615548603 MLHDLYKBJGGZIF-UHFFFAOYSA-N 415.363 3.185 0 40 HGAB CC[C@H](NC(=O)NCc1cc2c(nc1O)CCCC2)[C@@H](O)c1c(F)cccc1F 1683562612 GBJWBLFHLZZURX-QFBILLFUSA-N 405.445 3.256 0 40 HGAB COc1ccc(NC(=O)[C@@H]2Cc3ccccc3CN2S(=O)(=O)c2ccccc2)cc1 3406470 BMOXXJBKSWPTCK-QFIPXVFZSA-N 422.506 3.450 0 40 HGAB COc1ccc2c(c1)[C@@H]1C[C@](C)(O2)N(C)C(=O)[C@H]1S(=O)(=O)c1ccc(C)c(C)c1 4315867 VNXZQQDHECMJME-VCOUNFBDSA-N 415.511 3.209 0 40 HGAB O=C(/C=C/c1ccc2c(c1)OCO2)Oc1coc(CSc2ncccn2)cc1=O 4377301 JKLOWASJIVYLOG-HWKANZROSA-N 410.407 3.070 0 40 HGAB O=C(COC(=O)C[C@H]1Sc2ccccc2NC1=O)NC12CC3CC(CC(C3)C1)C2 4601846 DWNZLBSSUQUCKL-IYZRDUGGSA-N 414.527 3.118 0 40 HGAB CC(=O)OCCCNC(=O)/C(=C\c1ccc(OC(C)C)cc1)NC(=O)c1ccccc1 4611181 JGCSPCWCBANMDM-CJLVFECKSA-N 424.497 3.314 0 40 HGAB Cc1ccc(S(=O)(=O)CCc2nnc(NC(=O)c3cccs3)s2)cc1C 4893619 CXNHJPSVHXUAHN-UHFFFAOYSA-N 407.542 3.485 0 40 HGAB CC(C)(C)NC(=O)[C@@H](c1ccco1)N(CCc1ccccc1)C(=O)c1csnn1 4964912 GKRZZSBXELZUNC-GOSISDBHSA-N 412.515 3.472 0 40 HGAB CS(=O)(=O)Nc1nc2n(n1)[C@H](c1ccccc1)C[C@@H](c1ccc(Cl)cc1)N2 5497970 SILXYWQSVVPELK-HOTGVXAUSA-N 403.895 3.449 0 40 HGAB COc1ccc(OC)c(NC(=O)CSc2nnc(COc3ccccc3)o2)c1 6736063 YVAQDVJERUETGI-UHFFFAOYSA-N 401.444 3.397 0 40 HGAB C[C@@H](Sc1nnc(C(F)(F)F)n1C)C(=O)N1c2ccccc2NC(=O)C1(C)C 7817895 UXVUMPLJJQJJFN-SECBINFHSA-N 413.425 3.078 0 40 HGAB Cc1nn(-c2ccccc2)c(C)c1CN(C)S(=O)(=O)c1ccc2c(c1)OCCO2 7988484 VDUFUDNTMWXJKW-UHFFFAOYSA-N 413.499 3.081 0 40 HGAB CCc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc1 8080668 SEKPSXQTDZZZBQ-UHFFFAOYSA-N 408.907 3.176 0 40 HGAB CC(=O)c1ccc(NC(=O)CN2C(=O)N[C@]3(CCCCc4ccccc43)C2=O)cc1 8327709 UDNIUZVWPIHOKE-QHCPKHFHSA-N 405.454 3.001 0 40 HGAB O=C(NCc1cccnc1)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 8388951 RKHRADCVTDNIBT-UHFFFAOYSA-N 401.875 3.466 0 40 HGAB O=C(C[C@@H]1SC(N2CCOCC2)=NC1=O)Nc1ccc(Oc2ccccc2)cc1 8391059 FMILAPBLTKKAIJ-SFHVURJKSA-N 411.483 3.138 0 40 HGAB C[C@@H]1CCCC[C@H]1NC(=O)CC[C@@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O 8764302 JCHMEGONFIBRDV-ZTNFWEORSA-N 410.518 3.106 0 40 HGAB biogenic CCOc1ccc([C@@H]2CCCN2C(=O)CCCN2C(=O)NC3(CCCC3)C2=O)cc1 8879345 WYSZLDUUKFFSMN-IBGZPJMESA-N 413.518 3.394 0 40 HGAB O=C(NCc1ccccc1Cn1cccn1)c1ccc(I)cc1 10234911 QNLMFXLASSGFTF-UHFFFAOYSA-N 417.250 3.466 0 40 HGAB CCOC(=O)c1cccc(NC(=O)CCCN(c2ccc(F)cc2)S(C)(=O)=O)c1 10441898 KCTLHIDWACYFKY-UHFFFAOYSA-N 422.478 3.187 0 40 HGAB COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N3CCC[C@H](C)C3)cc2)cc1 10541578 YFCIAQBMKNTKJY-INIZCTEOSA-N 402.516 3.392 0 40 HGAB COc1cc2cc(N)c(C3CCN(C(=O)CCN4CCCC4)CC3)nc2cc1OC 12230979 KFAYBEPEDQYVBA-UHFFFAOYSA-N 412.534 3.026 0 40 HGAB Fc1ccc(OCCN2CCC([C@@H]3C[C@H](C(F)(F)F)n4ncnc4N3)CC2)cc1 12407927 WWUHBIKGXQOWMU-DLBZAZTESA-N 413.419 3.496 0 40 HGAB CCOC(=O)c1cnc(SCCCc2nc(-c3ccc(C)c(F)c3)no2)nc1N 12589516 RAULPIJFSZPQSD-UHFFFAOYSA-N 417.466 3.458 0 40 HGAB O=S(=O)(c1ccccc1Br)N1CCC(c2nnc3ccccn23)CC1 12771906 ZIKOOTDOYMTZCF-UHFFFAOYSA-N 421.320 3.060 0 40 HGAB CC(=O)Nc1cccc(-n2nnnc2S[C@H](C)C(=O)Nc2cc(C)ccc2C)c1 12925947 QYQHIDVUBKSKKF-CQSZACIVSA-N 410.503 3.357 0 40 HGAB CCC(CC)NC(=O)C1CCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)CC1 13016900 WOBJPTAGKIQHFE-UHFFFAOYSA-N 422.469 3.291 0 40 HGAB O=C(N[C@H]1CCCc2ccccc21)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 13563332 JCVOHAUNFMEJPO-IRLDBZIGSA-N 412.555 3.422 0 40 HGAB CC[C@@H](C(=O)Nc1cccc(C(=O)OC)c1)N(c1cccc(Cl)c1)S(C)(=O)=O 13712879 CJHAYVUVZISHNW-KRWDZBQOSA-N 424.906 3.310 0 40 HGAB Cc1cccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)c1C 13856517 HLGQBWWGCGMNKM-OAHLLOKOSA-N 400.862 3.492 0 40 HGAB CC1=C(C(=O)N2CCOCC2)[C@H](c2ccc(F)cc2F)NC(=O)N1c1ccccc1 14140373 QDWKRGGRCRXRNU-FQEVSTJZSA-N 413.424 3.369 0 40 HGAB O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)Nc1ccc(F)c(F)c1F 16960541 WTQSFAWMWBBHLW-UHFFFAOYSA-N 412.433 3.460 0 40 HGAB COc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2NC[C@@H]2CCCO2)cc1 17208839 VRANFUKUUGPJMY-HNNXBMFYSA-N 414.487 3.030 0 40 HGAB COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N=c2[nH]c3ccccc3[nH]2)c1 17304252 LEYNVWDSAIFBNA-UHFFFAOYSA-N 422.466 3.047 0 40 HGAB CN(Cc1ccc(Cl)c(Cl)c1)C(=O)COC(=O)c1ccc(NC(N)=O)cc1 18537246 ZZRZYTPTCMKVOJ-UHFFFAOYSA-N 410.257 3.299 0 40 HGAB COc1ccc(CC(=O)N2CCC[C@H]2c2nc(N(C)C)ncc2-c2cc(C)no2)cc1 19122385 JHMLWHFKBWQDQW-IBGZPJMESA-N 421.501 3.421 0 40 HGAB C[C@H](CN(C)C(=O)CN1CC[C@@H](c2cc(=O)n3c(n2)CCCCC3)C1)c1ccccc1 19455877 CYTBWQLIRQCWPO-TZIWHRDSSA-N 422.573 3.021 0 40 HGAB CCCc1oc(C(=O)N2CCN(C)C[C@@H]2c2ccccc2)cc1CN1CCOCC1 19525221 YQKBOAZONRHALT-OAQYLSRUSA-N 411.546 3.193 0 40 HGAB Cc1cc(C(F)(F)F)c2c(=O)[nH]c([C@@H]3CCN(C(=O)c4c(C)noc4C)C3)cc2n1 19568522 KEOSCIQXTXJLBE-GFCCVEGCSA-N 420.391 3.485 0 40 HGAB COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)C[C@@H]1C(=O)Nc1cccc(OC)c1 19819146 SIEWFURZEXCNBN-SFHVURJKSA-N 412.417 3.273 0 40 HGAB CCOC(=O)CSc1nnc(NC(=O)c2cc(Cl)c(OC)c(OC)c2)s1 21247735 UVFGQIUBZRKSMF-UHFFFAOYSA-N 417.896 3.116 0 40 HGAB COc1ccc(CCn2c(C)cc(C(=O)CN3CCC(O)CC3)c2C)cc1OC 21581854 OHBSXRPDUHGHSB-UHFFFAOYSA-N 400.519 3.004 0 40 HGAB COc1ccc(Nc2nc(N3C[C@H](C)O[C@H](C)C3)nc3c2cnn3C)cc1Cl 21873431 JYOWHEAUDCKXPU-TXEJJXNPSA-N 402.886 3.383 0 40 HGAB O[C@@H](COc1cccc(Br)c1)CN1CCN(c2ccccc2F)CC1 23386864 YCSAQCSWONFMLP-MRXNPFEDSA-N 409.299 3.150 0 40 HGAB CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)c1ccc2c(c1)OCC(=O)N2 25180119 UMCULXHMQUBGHQ-UHFFFAOYSA-N 408.241 3.035 0 40 HGAB COc1ccc(S(=O)(=O)N[C@@H](C)CCc2ccccc2)cc1N1CCCC1=O 30753160 MYULSJBKHABQDC-INIZCTEOSA-N 402.516 3.122 0 40 HGAB COc1ccccc1N1C(SCc2ccccc2F)=N[C@@H]2CS(=O)(=O)C[C@@H]21 32641132 LDCBWAKGCFJNAC-WBVHZDCISA-N 406.504 3.109 0 40 HGAB CN(CC(=O)NCC1(N2CCOCC2)CCCCC1)Cc1c(F)cccc1Cl 32751419 VSKOIIBQAQHAQW-UHFFFAOYSA-N 411.949 3.062 0 40 HGAB O=C(OCc1nc2sc3c(c2c(=O)[nH]1)CCC3)[C@H]1Cc2cc(Cl)ccc2O1 32776509 JLYVYSWRDDSUCJ-CYBMUJFWSA-N 402.859 3.174 0 40 HGAB Cc1cccc(N2CCN(C(=O)[C@@H]3CCCN(C(=O)Cc4ccccc4)C3)CC2)c1 32816404 LMKVMCPDQZQRHV-JOCHJYFZSA-N 405.542 3.125 0 40 HGAB CCSc1nnc(NC(=O)CC(C)(C)C(=O)OCC(F)(F)C(F)F)s1 35655153 YZJHWWBHMXEUQP-UHFFFAOYSA-N 403.423 3.449 0 40 HGAB CCn1ncc(Cl)c1CNC(=O)c1cc(-c2ccc(OC)cc2)nc2c1cnn2C 36613332 MOBFCUOUKYLWSE-UHFFFAOYSA-N 424.892 3.444 0 40 HGAB CC(C)n1cnc2nc(COc3ccccc3NC(=O)c3ccc(F)cc3)cc(=O)n21 41077144 RPFNQCMCHZHEBK-UHFFFAOYSA-N 421.432 3.442 0 40 HGAB CCOc1ccc(NC(=O)C(=O)N[C@H](CC(=O)OC)c2ccccc2Cl)cc1 41163149 PNUDZBAWQHJCJW-QGZVFWFLSA-N 404.850 3.098 0 40 HGAB CCOC(=O)c1ccc(NC(=O)c2cccc(NS(C)(=O)=O)c2C)cc1Cl 44904288 JMRUNRRLPCSZKB-UHFFFAOYSA-N 410.879 3.449 0 40 HGAB Cc1cc(C(=O)N2CCN(C(=O)Nc3ccc4c(C)cc(=O)oc4c3)CC2)c(C)o1 50179100 SAGCIRHSKFRGEN-UHFFFAOYSA-N 409.442 3.301 0 40 HGAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@@H](C)N2CCC[C@@H]2c2ccsc2)c1 52804070 RLFXULZHOGAIOB-FZKQIMNGSA-N 416.499 3.485 0 40 HGAB O=c1nc(-c2ccccc2)c(-c2ccccc2)nn1CCS(=O)(=O)c1ccccc1 59017293 ZZFUWKMRUSDWGJ-UHFFFAOYSA-N 417.490 3.446 0 40 HGAB Cc1cc(NC(=O)C2CCN(C(=O)Nc3ccc4c(c3)OCCCO4)CC2)no1 65605971 ZXYCUGARVZEDOZ-UHFFFAOYSA-N 400.435 3.027 0 40 HGAB O=C(COC(=O)c1ccc(Br)o1)NCc1ccccc1Br 67197600 WSMXEBIYQARPRP-UHFFFAOYSA-N 417.053 3.278 0 40 HGAB Cc1noc(CN2CCC([C@H]3CCCCCN3S(=O)(=O)c3ccccc3)CC2)n1 69876572 IAHGOUUDPLSFQO-HXUWFJFHSA-N 418.563 3.224 0 40 HGAB COc1ccc(-c2ccc(=O)n(CC(=O)Nc3nc(-c4cccnc4)cs3)n2)cc1 71283598 CGPGIAOYYMMLJN-UHFFFAOYSA-N 419.466 3.076 0 40 HGAB Cc1cc(Nc2cc([C@H]3CCCN3CC(=O)Nc3ccccc3F)nc(C)n2)[nH]n1 72361478 IRKAKGOJVBIROL-GOSISDBHSA-N 409.469 3.475 0 40 HGAB CC(C)S(=O)(=O)c1ccc(C(=O)N(Cc2ccccc2)C[C@@H](C)C(=O)O)cc1 95424402 YTXHJXKMSCZKBG-MRXNPFEDSA-N 403.500 3.232 0 40 HGAB O=C([C@H]1CCCN1S(=O)(=O)c1ccccc1)N(Cc1ccccc1)c1ccncc1 95457254 LOLZOJNSZXIFQA-JOCHJYFZSA-N 421.522 3.468 0 40 HGAB C[C@H]1CN(C(=O)c2cccc(N3CCOC3=O)c2)[C@@H](C)CN1C(=O)OC(C)(C)C 95459276 HSOHQRAESMJWDZ-GJZGRUSLSA-N 403.479 3.113 0 40 HGAB Cc1ccc2c(c1)N(CC(=O)N1CCC(C(=O)Nc3ccccc3)CC1)CCCO2 95459743 MROVFGQSNUIJNO-UHFFFAOYSA-N 407.514 3.461 0 40 HGAB CO[C@@H]1CCCN(c2ccc(NC(=O)CCc3ccc(S(C)(=O)=O)cc3)cc2)C1 96122460 ICUZCMPCKZWBLA-HXUWFJFHSA-N 416.543 3.277 0 40 HGAB Nc1c(Br)ccc(I)c1I 98210881 JLGGBEIXPOTSFN-UHFFFAOYSA-N 423.817 3.241 0 40 HGAB CSc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H]3C[C@@H]4CC[C@@H]3C4)CC2)cc1 100443124 CRDJUNBIVMWBBZ-IDHHARJASA-N 408.589 3.114 0 40 HGAB C/C(CC(=O)NCc1cccnc1)=N\NC(=O)C(c1ccccc1)c1ccccc1 101157535 JBQZXAPHPCGVMQ-OVVQPSECSA-N 400.482 3.412 0 40 HGAB COC(=O)c1c(N2C(=O)[C@H]3C(c4ccccc4Cl)=NO[C@H]3C2=O)sc(C)c1C 103525377 GMQQVSUQIRXXOD-DZGCQCFKSA-N 418.858 3.097 0 40 HGAB CCc1nc(S/C(=C\c2cc(Br)c(OC)c(OC)c2)C(=O)O)n[nH]1 213392164 COPJGRDNJZNCBP-XFFZJAGNSA-N 414.281 3.365 0 40 HGAB COc1cccc(N([C@@H](C)C(=O)Nc2ccc(OC(C)C)cc2)S(C)(=O)=O)c1 220173347 PCOZLAUNLMMFRN-HNNXBMFYSA-N 406.504 3.276 0 40 HGAB COc1cccc(N(C)C(=O)CCc2ccc(S(=O)(=O)NCC(C)C)cc2)c1 222846931 RPSNELDKLUTURW-UHFFFAOYSA-N 404.532 3.225 0 40 HGAB CCc1ccccc1N(CC(=O)Nc1nnc(SC(C)C)s1)S(C)(=O)=O 223148229 DFKPFPYALCHLRF-UHFFFAOYSA-N 414.578 3.006 0 40 HGAB CC[C@@H](C(=O)NCCOc1cccc(C)c1C)N(c1cccc(C)c1)S(C)(=O)=O 223955150 WXWHVDKFZQTJCU-FQEVSTJZSA-N 418.559 3.352 0 40 HGAB CCN(c1ccc(C(=O)NCCOc2cc(C)ccc2C)cc1)S(=O)(=O)CC 224039554 HENPSGIRNZZAIK-UHFFFAOYSA-N 404.532 3.288 0 40 HGAB COC(=O)c1ccc(Cl)c(S(=O)(=O)NCCOc2ccc(C)c(Cl)c2)c1 224185138 SVULFWNXIUNRNO-UHFFFAOYSA-N 418.298 3.446 0 40 HGAB COc1ccccc1N(CC(=O)O)S(=O)(=O)c1ccc(OC)c(Cl)c1Cl 224619458 YZIGWMXHLCRIOY-UHFFFAOYSA-N 420.270 3.291 0 40 HGAB COc1cc(C(N)=O)cc(I)c1OCc1ccccc1F 226365176 BXGCQFQOMBBPDV-UHFFFAOYSA-N 401.175 3.117 0 40 HGAB C[C@@H]1Cc2cc(C(=O)N3CCC(c4cncc(Nc5ncccn5)n4)CC3)ccc2O1 257205050 AXKGXSWJMIGWLR-OAHLLOKOSA-N 416.485 3.353 0 40 HGAB Cc1cc(C)n(C)c(=O)c1C(=O)NC[C@H]1CC[C@H](c2n[nH]cc2-c2ccncc2)CC1 257209680 BRLMRUURZLSEEA-UAPYVXQJSA-N 419.529 3.491 0 40 HGAB C[C@@]12CC[C@@H](C[C@H]1C(=O)N1CCCC[C@H]1CCO)[C@]1(C2)NC(=O)c2ccccc2N1 257221729 DQGYHOBVUSZNOZ-PPLBDJQYSA-N 411.546 3.128 0 40 HGAB COc1ccccc1[C@@H]1CN(C(=O)c2ccccc2CN2CCCC2)CCN1C(C)=O 257303589 SHWBNDMSDDCDQX-QHCPKHFHSA-N 421.541 3.337 0 40 HGAB Cc1cc(C)nc(N2CCO[C@@H](c3cc(CCOc4ccc(F)c(F)c4)[nH]n3)C2)n1 257313235 URMYHBLQZFELSB-HXUWFJFHSA-N 415.444 3.294 0 40 HGAB COc1ccccc1Cc1cnc([C@@H]2CCCN(S(=O)(=O)c3cccnc3)C2)o1 257314067 UVEHRRIIAXLLCY-QGZVFWFLSA-N 413.499 3.237 0 40 HGAB O=C(O)CN1C(=O)N/C(=C/c2ccccc2OCc2cccc3ccccc23)C1=O 408591208 JAEBFHCLROOUGR-XDHOZWIPSA-N 402.406 3.396 0 40 HGAB CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@H](C)CC)C2)cc1Cl 408626229 VDCJBQGYIJGMEN-KGLIPLIRSA-N 402.944 3.054 0 40 HGAB CC1=CC[C@H]2C(=O)N(c3ccccc3C(=O)Nc3cccc(C(=O)O)c3)C(=O)[C@@H]2C1 408686789 SXMPHKCHDHPZAQ-SJLPKXTDSA-N 404.422 3.483 0 40 HGAB O=C1C[C@H](C(=O)N2CCCC3=C[C@@H]4C[C@@H](CN5CCCC[C@@H]45)[C@@H]32)CN1Cc1ccco1 409415190 WJXXWLHUWHORMV-DTVSBSJESA-N 423.557 3.050 0 40 HGAB C[C@@]12C[C@@H](c3ccccc3O1)[C@@H](C(N)=O)C(=O)N2CCc1c[nH]c2ccc(F)cc12 524732491 IOUNTCGRCGFHJN-NYDSKATKSA-N 407.445 3.076 0 40 HGAB Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)c1oc2c(F)cccc2c1C 608147788 JVJMIEZKERNWCV-ZDUSSCGKSA-N 405.451 3.306 0 40 HGAB CC(=O)N1CCCCCCCCN(CC(=O)N2CCOCC2)Cc2ccccc21 643575196 GUALTEGBAZHEEZ-UHFFFAOYSA-N 401.551 3.055 0 40 HGAB CC(C)c1ccc2c(c1)NC(=O)C[C@@H]1CCN(C(=O)N3CCOCC3)C[C@@H]1CCO2 1534646731 RQFCATBZMPPVBE-OALUTQOASA-N 415.534 3.311 0 40 HGAB CCCOc1ccccc1CN1CCO[C@@]2(COCC(=O)N(c3ccccc3)C2)C1 2037983643 BCSMXJQTQPVFBQ-DEOSSOPVSA-N 410.514 3.110 0 40 HGAB COc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccc(F)c(Cl)c3)CC2=O)cc1 800512 GVKANVXQMXJIKD-GFCCVEGCSA-N 420.824 3.023 0 40 HGAB Cc1ccc(NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C(=O)OCC(C)C)cc1 1440390 ZGYYSFJUTGXPNG-UHFFFAOYSA-N 404.444 3.344 0 40 HGAB O=C(COC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)c1cccc(Cl)c1 3276304 MGSZIAKKNFEDHE-UHFFFAOYSA-N 407.875 3.164 0 40 HGAB O=C(CNC(=O)c1ccc(Br)cc1)OCC(=O)c1ccc(Cl)cc1 3282202 HJOMCKKIPVPUFJ-UHFFFAOYSA-N 410.651 3.258 0 40 HGAB CCc1cccc(CC)c1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccccc2OC)C1 4512484 KREFZEZZWJNJEA-GOSISDBHSA-N 424.497 3.355 0 40 HGAB Cc1ccc(N2C(=O)/C(=C/c3ccc4c(c3)OCO4)N=C2S[C@@H](C)C(N)=O)cc1 4515989 GCZRKBOEMWVXNW-LWLPBDFMSA-N 409.467 3.074 0 40 HGAB CC(C)c1ccc(NC(=O)CSc2nnc(CNC(=O)c3ccco3)n2C)cc1 4816416 PHPBFEYCMWRCDS-UHFFFAOYSA-N 413.503 3.192 0 40 HGAB CCCCCC(=O)N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3CC)CC1 4869545 LTUUSLDSFNIQNE-UHFFFAOYSA-N 417.481 3.088 0 40 HGAB O=C1CCC(=O)N1CC(=O)N(Cc1ccccn1)c1nc2ccc(Cl)cc2s1 5265185 ILHZUHCOFPCQCJ-UHFFFAOYSA-N 414.874 3.027 0 40 HGAB O=C(Nc1cc(Cl)cc(Cl)c1)c1cccc(S(=O)(=O)N2CCOCC2)c1 5634679 GRPMRHGXGRTYJK-UHFFFAOYSA-N 415.298 3.267 0 40 HGAB COc1cc(-c2nnc(COC(=O)c3cccc(C)c3O)o2)cc(OC)c1OC 5986409 MMAYOJUTOBDCEH-UHFFFAOYSA-N 400.387 3.133 0 40 HGAB CC(C)(C)OC(=O)Cn1c(=O)c(=O)n(Cc2ccccc2)c2ccc(Cl)cc21 6906197 SHTATCYVPSZEAI-UHFFFAOYSA-N 400.862 3.207 0 40 HGAB CCCN1C(=O)C(=O)N(CC(=O)c2c(-c3ccccc3)n(C)c3ccccc23)C1=O 7053076 BRDAGFLZOZFBHD-UHFFFAOYSA-N 403.438 3.229 0 40 HGAB C[C@@H]1Cc2cc(C(=O)Nc3cccc(Br)c3)ccc2N1S(C)(=O)=O 7666852 PEVNOSXDSQEUMY-LLVKDONJSA-N 409.305 3.412 0 40 HGAB O=C(Cc1cccc(C(F)(F)F)c1)N(Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 7671426 CNPQSDKCXSGYLH-SFHVURJKSA-N 411.445 3.464 0 40 HGAB CCN1CCC[C@@H]1CNC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1 7777216 URPVHEJYQWAWGM-HXUWFJFHSA-N 415.559 3.034 0 40 HGAB CCOc1ccccc1C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N(C)C 7974406 DYFCAONWKHOBSI-UHFFFAOYSA-N 419.547 3.434 0 40 HGAB COc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C)c2cccs2)cc1 7987704 UMXNUKDQQZKBSL-WMLDXEAASA-N 410.561 3.327 0 40 HGAB Cc1c(Cl)cccc1NC(=O)CNC(=O)[C@@H](NC(=O)Cc1ccccc1)C(C)C 7990385 ACDFKOOZWARREN-NRFANRHFSA-N 415.921 3.087 0 40 HGAB Cc1ccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1C 8481172 ZXHBCOLOVJOICY-QGZVFWFLSA-N 402.516 3.494 0 40 HGAB Cc1cccc2c(=O)n(CC(=O)N[C@H](CC(C)C)c3nc4ccccc4[nH]3)cnc12 8710069 NCVHYYTYZZKSBC-LJQANCHMSA-N 403.486 3.485 0 40 HGAB O=C(Nc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1F)c1ccc(Cl)cc1 8810036 YEPLTTFSUMEJAI-CQSZACIVSA-N 412.870 3.189 0 40 HGAB O=C(COC(=O)CNC(=O)c1ccc(Cl)cc1Cl)Nc1ccc2c(c1)CCC2 8882256 OZYDEULENGPMQR-UHFFFAOYSA-N 421.280 3.394 0 40 HGAB COc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3ccc(Cl)cc3C)C2=O)cc1 8888957 UKZQNPKOOAISIB-HXUWFJFHSA-N 401.850 3.063 0 40 HGAB O=C1C[C@@H](CNS(=O)(=O)c2ccccc2C(F)(F)F)CN1c1ccc(F)cc1 9036473 IWDQXBWIGBPGAP-LBPRGKRZSA-N 416.396 3.176 0 40 HGAB Cc1nnc(-c2cc3ccccc3n2CC(=O)N2CCN(c3ccccc3)CC2)o1 9573795 AYOPVKHPNUJYFP-UHFFFAOYSA-N 401.470 3.349 0 40 HGAB O=C(Nn1cnc2c(cnn2-c2ccccc2)c1=O)C(c1ccccc1)c1ccccc1 10251297 SHNKNRQVCOSNNJ-UHFFFAOYSA-N 421.460 3.484 0 40 HGAB O=S(=O)(c1ccc(SC[C@H](O)COc2ccccc2)nc1)N1CCCCCC1 10400029 ITKAAGWXJUHFHK-QGZVFWFLSA-N 422.572 3.178 0 40 HGAB COc1ccc(Cl)cc1N([C@H](C)C(=O)N1CCCc2ccccc21)S(C)(=O)=O 10449611 LIJJRUOPLADAEG-CQSZACIVSA-N 422.934 3.483 0 40 HGAB C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)N1CCC(CCc2ccccc2)CC1 11155770 BWRVUDCKTYQBMK-QGZVFWFLSA-N 415.559 3.006 0 40 HGAB CCc1ccc(S(=O)(=O)NCCCn2nc(-c3ccc(C)cc3)ccc2=O)s1 11738556 KPWNDHSINBAYQL-UHFFFAOYSA-N 417.556 3.211 0 40 HGAB C[C@H]1CCCC[C@H]1NC(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 11776912 NLAIUKQSPTZQFY-GXTWGEPZSA-N 410.444 3.054 0 40 HGAB O=C1N[C@H](CC(=O)N2CCC(c3ncncc3-c3ccncc3)CC2)c2ccccc21 12118686 WSRGMPBJBRENAY-OAQYLSRUSA-N 413.481 3.119 0 40 HGAB Cc1n[nH]cc1C(=O)N1CCC(n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)CC1 12145488 KSJDKHSWIYUNSQ-LBPRGKRZSA-N 411.531 3.092 0 40 HGAB COc1ccc(C(=O)N2CCC(C(=O)N3CCc4ncc(Cl)cc4C3)CC2)cc1 12186653 TXWHPSVWYCAEBQ-UHFFFAOYSA-N 413.905 3.181 0 40 HGAB Cc1cccc(OCCCNC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)c1 12397621 ZPKKWIPYYYJAFH-UHFFFAOYSA-N 416.543 3.369 0 40 HGAB C[C@H](Sc1nc2ccccc2n1C1CCCCC1)C(=O)N[C@@H]1CCS(=O)(=O)C1 12506941 YIHYAQTVVZOWFW-LSDHHAIUSA-N 421.588 3.325 0 40 HGAB Cc1ccc(C(=O)NCC(=O)Nc2nc(CN3CCC(C)CC3)cs2)cc1C 12777261 VJUBSDMWLMWWGF-UHFFFAOYSA-N 400.548 3.360 0 40 HGAB O=C(Nc1nc2c(s1)CCC2)[C@H]1CC(=O)N(c2ccccc2Br)C1 12975476 MDXUXTXIDAWWQE-JTQLQIEISA-N 406.305 3.386 0 40 HGAB COc1ccc(-c2ccc(N3CCN(C(=O)c4ccc(Cl)nc4)CC3)nn2)cc1 13657761 NWGYQKJSFDOVBT-UHFFFAOYSA-N 409.877 3.163 0 40 HGAB COc1ccc(N(CCCC(=O)N2CCc3ccccc32)S(C)(=O)=O)cc1Cl 13671187 HMPXTRZGRDZGQF-UHFFFAOYSA-N 422.934 3.484 0 40 HGAB Cc1cc(OCC(=O)Nc2ccccc2C(=O)N2CCOCC2)cc(C)c1Cl 13995845 AWCFLAAZMFRMNS-UHFFFAOYSA-N 402.878 3.447 0 40 HGAB O=C(CCc1nnc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)o1)c1cccs1 14082986 QCBADBRVOVTWIS-UHFFFAOYSA-N 417.512 3.398 0 40 HGAB CNc1nc(SCC(=O)NCC(=O)Nc2cccc(C)c2C)nc2ccccc12 14196789 YCJBFGLAJFJUOL-UHFFFAOYSA-N 409.515 3.135 0 40 HGAB CCOC(=O)N1CCN(C(=O)Cc2csc(Nc3cccc(Cl)c3)n2)CC1 16850349 RTORGAYSAPVRLF-UHFFFAOYSA-N 408.911 3.383 0 40 HGAB COc1ccccc1N1CCN([C@H]2CC(=O)N(c3ccc(C)cc3Cl)C2=O)CC1 18123100 PCZNQPBGSRLAKP-IBGZPJMESA-N 413.905 3.111 0 40 HGAB COc1ccc2c(c1)cc(C(=O)N1CCC[C@H]1Cn1nnc(-c3cccs3)n1)n2C 19289748 DWFFYHBJMOXWKY-HNNXBMFYSA-N 422.514 3.207 0 40 HGAB CC1(C)Cc2nc(-c3cnccn3)ncc2[C@H](NC(=O)c2noc3c2CCCC3)C1 19461633 IZHOVIMUODGIAE-MRXNPFEDSA-N 404.474 3.244 0 40 HGAB CCc1cc(C(=O)N2CCC(c3cc(C(=O)NCc4cccs4)on3)CC2)on1 19522713 FQCUHOPLFZUDPY-UHFFFAOYSA-N 414.487 3.236 0 40 HGAB COc1ccc(-c2ccc(C[C@]3(C(N)=O)CCCN(C(=O)[C@@H]4CCCO4)C3)cc2)cc1 19558211 GHEACVKCPGDPAK-WIOPSUGQSA-N 422.525 3.178 0 40 HGAB COCc1ccc(C(=O)N2CCC[C@@H]([C@@H]3C[C@H](C(F)(F)F)n4ncnc4N3)C2)cc1 19594408 AFRIXBJEDHGVAB-IXDOHACOSA-N 423.439 3.265 0 40 HGAB Cc1nc(C2CCN(C(=O)c3cc[nH]n3)CC2)nc2c1CCCN2Cc1ccccc1 19707886 ACZCWOOSVFWEBL-UHFFFAOYSA-N 416.529 3.481 0 40 HGAB O=C(N[C@@H]1C[C@H]2CC[C@@H]1C2)C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1 19868186 OAEYOIFYYGQVGM-POZUXBRTSA-N 410.967 3.187 0 40 HGAB Cc1c(C)c2ccc(OCC(=O)Nc3ccc(CN4CCOCC4)cc3)cc2oc1=O 20573394 GGBZUFAQNDDEHD-UHFFFAOYSA-N 422.481 3.260 0 40 HGAB COc1cc2ncn(CC(=O)Nc3cc(Cl)ccc3Cl)c(=O)c2cc1OC 20726044 IZCSJSBBEOKBDC-UHFFFAOYSA-N 408.241 3.359 0 40 HGAB CC[C@@H](Sc1nnc(CN2CCCCCC2=O)n1CC)C(=O)Nc1cc(C)on1 22133908 ROWRSHBSBBNUEV-CQSZACIVSA-N 420.539 3.006 0 40 HGAB C[C@H]1CCC[C@@H](C)N1C(=O)[C@@H](C)N1CCN(CC(=O)Nc2ccccc2Cl)CC1 22783001 VYYSZMUBFPPVGD-FGTMMUONSA-N 420.985 3.074 0 40 HGAB CCCNC(=O)CN1CCN([C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)CC1 22787904 VXXJWHYWYJSFPU-XMMPIXPASA-N 418.541 3.236 0 40 HGAB CCc1ccc(NC(=O)Cn2c(C)cc(C)c(S(=O)(=O)c3ccccc3)c2=O)cc1 23118966 XEKKPQUWIWXQDR-UHFFFAOYSA-N 424.522 3.499 0 40 HGAB CC(=O)Nc1ccc(C(=O)N2CCN(Cc3nc4ccccc4s3)CC2)s1 24336303 OSRNOXDFQWGSDE-UHFFFAOYSA-N 400.529 3.274 0 40 HGAB C[C@@H](NC(=O)C1CCN(C(=O)OCC(F)(F)F)CC1)c1ccc2c(c1)OCCO2 25394425 WNHLTTZGGXMRFM-GFCCVEGCSA-N 416.396 3.046 0 40 HGAB Cc1cc(-n2c(C)cc(C(=O)CN3CCC(NC(=O)c4ccccc4)CC3)c2C)no1 25830458 ODTGLVCBNPTDGI-UHFFFAOYSA-N 420.513 3.468 0 40 HGAB CC1CCN(C(=O)[C@H]2CN(S(=O)(=O)Cc3ccccc3)c3ccccc3O2)CC1 26112973 AQVRFVLHSRHBGO-OAQYLSRUSA-N 414.527 3.043 0 40 HGAB C[C@@H]1CN(C[C@H](Cc2ccccc2)C(=O)NCC(=O)O)CC[C@@]1(C)c1cccc(O)c1 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CCCCc1ccc(NC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)cc1 32999782 WJHSIJQGANHPKU-UHFFFAOYSA-N 422.572 3.293 0 40 HGAB Cc1nc(N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)c2c(C)c(C)sc2n1 33010745 CWYLMMURJQRAGG-GOSISDBHSA-N 424.526 3.105 0 40 HGAB O=C(CCN1C(=O)S/C(=C\c2ccccc2Cl)C1=O)NCCCn1ccnc1 33537028 YSYFJRXWZUHDCA-VBKFSLOCSA-N 418.906 3.169 0 40 HGAB O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 40104359 XREPCYKIFBGESJ-FQEVSTJZSA-N 420.469 3.350 0 40 HGAB COc1ccc(C(=O)Nc2ccc(OCc3cc(=O)n4oc(C)cc4n3)cc2)cc1 41085644 UYEKZHLQSARIBS-UHFFFAOYSA-N 405.410 3.436 0 40 HGAB CC[C@@H](C(=O)Nc1ccccc1C(=O)N(CC)CC)N1C(=O)c2ccccc2C1=O 44928686 RPIWFACSBWEMAR-IBGZPJMESA-N 407.470 3.182 0 40 HGAB Cc1ccc(Cl)c(O[C@@H](C)C(=O)N2C[C@@H](C(=O)N(C)C)Oc3ccccc32)c1 45646702 STZDVDGCWOJEIT-LIRRHRJNSA-N 402.878 3.298 0 40 HGAB CC1CCN(C(=O)c2nnc3sc(-c4cccc(Br)c4)nn23)CC1 57354635 FFXIREUFQVZNNX-UHFFFAOYSA-N 406.309 3.487 0 40 HGAB COc1cc(NC(=O)CSc2cc(N3CCC(C)CC3)ncn2)cc(OC)c1 57505549 AUXMLYUFUGEZHN-UHFFFAOYSA-N 402.520 3.461 0 40 HGAB CCOC(=O)c1ccc(N2CCN(Cn3ccc(-c4ccc(F)cc4)n3)CC2)nc1 58305225 VXVZRPCIPNQVQW-UHFFFAOYSA-N 409.465 3.041 0 40 HGAB C[C@@H](c1nc(-c2ccccc2)no1)N1CCN(C(=O)Cc2n[nH]c3ccccc23)CC1 65115398 NESYPQUGBYGDKD-INIZCTEOSA-N 416.485 3.061 0 40 HGAB CC(C)[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)N1CCCN2CCC[C@@H]2C1 65585904 IKPGIWCZSXJBSX-VWNXMTODSA-N 407.558 3.220 0 40 HGAB COc1cccc(Cn2cnc3c(cnn3-c3ccc(Br)cc3)c2=O)c1 67257921 NMYCMRBVRFAKQQ-UHFFFAOYSA-N 411.259 3.402 0 40 HGAB COCCn1nnn(-c2ccc(NC(=O)Nc3ccc(C(C)(C)C)cc3)cc2)c1=O 77100146 LVSKCQLWAIBRTI-UHFFFAOYSA-N 410.478 3.017 0 40 HGAB CC(C)C(=O)NC1CCN(CCS(=O)(=O)c2cc(Cl)ccc2Cl)CC1 78432551 QIDCFXKGJYRAAL-UHFFFAOYSA-N 407.363 3.004 0 40 HGAB CC(C)(C)c1nc(-c2ccc(NC(=O)[C@H]3CS[C@]4(C)CCC(=O)N34)cc2)no1 84674035 TYIZTQKQALKCIO-JLTOFOAXSA-N 400.504 3.427 0 40 HGAB COC(=O)COc1ccc([C@@H]2SC(C)=Nc3c2c(=O)[nH]n3C(C)C)cc1OC 85412314 XYBPPWURJFFEJC-KRWDZBQOSA-N 405.476 3.204 0 40 HGAB O=C1[C@H]2CC=CC[C@@H]2C(=O)N1CN1CCN(C(c2ccccc2)c2ccccc2)CC1 95949539 PFCQTBJQZLDYPM-GOTSBHOMSA-N 415.537 3.302 0 40 HGAB Cc1noc(C)c1CN1CCC2(CC1)CN(C(=O)c1cnccn1)Cc1ccccc12 96242604 DJEDUQUMNWPLSG-UHFFFAOYSA-N 417.513 3.271 0 40 HGAB O=C(CNC(=O)c1ccccc1)Nc1ccccc1Cc1nc(-c2cccnc2)no1 96356684 ORUINVBUXLJMJA-UHFFFAOYSA-N 413.437 3.091 0 40 HGAB COCCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1 222919656 LIWKUJSGTXJENM-SFHVURJKSA-N 400.494 3.328 0 40 HGAB Cc1ccccc1-c1cc(NS(=O)(=O)c2cc3oc(=O)[nH]c3cc2Cl)n[nH]1 223332013 BQNCORXAEFSXDF-UHFFFAOYSA-N 404.835 3.274 0 40 HGAB O=C(NCC1CCCCC1)[C@@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1 223997425 HIPLWYBGMCVWSQ-NRFANRHFSA-N 414.527 3.339 0 40 HGAB Cc1cc(C)c(N(CC(=O)NCCOc2cc(C)ccc2C)S(C)(=O)=O)c(C)c1 224019668 FWLDCBJKBRSXEY-UHFFFAOYSA-N 418.559 3.190 0 40 HGAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-n1cnnc1 225009133 CMULRYQQNSUKIV-UXHICEINSA-N 407.547 3.318 0 40 HGAB CCc1ccc(OCC(=O)NC[C@H]2COc3ccccc3O2)c(Br)c1 225260309 HABPWWJOLHFWMG-AWEZNQCLSA-N 406.276 3.347 0 40 HGAB CCc1ccc([C@@H](C)NC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cc1 225362204 CZTOQDOPMMDYOR-YJYMSZOUSA-N 422.934 3.307 0 40 HGAB CCn1c(=O)sc2cc(S(=O)(=O)NCc3cccc(OC(C)C)c3)ccc21 225695630 DXPZQCWBUOUWJN-UHFFFAOYSA-N 406.529 3.349 0 40 HGAB C[C@@H](Oc1ccccc1F)C(=O)N1[C@H]2CC[C@H]1CC(O)(c1ccc3c(c1)OCO3)C2 248379151 LXDUFCAHZZIMAM-PVAVHDDUSA-N 413.445 3.363 0 40 HGAB Cc1ncc(C(=O)N(C)C)c([C@H]2CC[C@H](CNC(=O)c3sc(C)nc3C)CC2)n1 257202600 AMOKMRGEKNICRO-WKILWMFISA-N 415.563 3.264 0 40 HGAB CCCN1CCN(Cc2c[nH]cn2)C[C@H](Cc2ccccc2-c2ccncc2)C1=O 257242873 IEOOAWPIOKCIOP-NRFANRHFSA-N 403.530 3.385 0 40 HGAB Cc1nn(C)cc1CN1CCO[C@@H](c2cc(CCOc3ccc(Cl)cc3)[nH]n2)C1 257316082 VEAKVSAODOIHQA-OAQYLSRUSA-N 415.925 3.300 0 40 HGAB CCN(CC)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1cc(C)ccc1OC 408585113 AHGGVCRVJGFFRJ-UHFFFAOYSA-N 408.495 3.206 0 40 HGAB O=C(CN1C(=O)N/C(=C/c2ccc(Br)s2)C1=O)Nc1ccccc1F 409210359 KKSPXBMCIUCALW-KPKJPENVSA-N 424.251 3.181 0 40 HGAB CN1CCN(c2ncccc2CNC(=O)CCn2ccc3cc(Cl)ccc32)CC1 536160771 LBYPTZQVSPQGOL-UHFFFAOYSA-N 411.937 3.148 0 40 HGAB O=C(CCc1ncc(-c2ccc(F)cc2F)o1)N1CCOCC2(CCOCC2)C1 541416368 JPNSLIJUDJWVBM-UHFFFAOYSA-N 406.429 3.208 0 40 HGAB O=C([C@H]1CN(Cc2csc(-c3ccccc3)n2)CCO1)N1CCC(F)(F)CC1 2086889478 GTWCDENVKFSRLV-QGZVFWFLSA-N 407.486 3.269 0 40 HGAB C[C@H](OC(=O)CN1C(=O)c2ccccc2C1=O)C(=O)Nc1cc(Cl)ccc1Cl 1931457 VMEINMGRVVNFJE-JTQLQIEISA-N 421.236 3.160 0 40 HGAB CCOc1cccc(-c2nnc(SCC(=O)Nc3ccc(Cl)cc3)n2N)c1 2264762 HEXVJMOGYBKWBG-UHFFFAOYSA-N 403.895 3.442 0 40 HGAB COc1ccc(Cc2nn3c([C@@H]4COc5ccccc5O4)nnc3s2)cc1OC 2358623 AXFAUDATVDEIMM-KRWDZBQOSA-N 410.455 3.306 0 40 HGAB CC[C@@H](c1nnc(SCC(=O)NCC(F)(F)F)n1-c1ccccc1)N(C)C 2726061 UXNVGCPERNSBJZ-ZDUSSCGKSA-N 401.458 3.051 0 40 HGAB Cc1c([C@@H](C)NC(=O)[C@@H](C)n2nc(C(F)F)c(Br)c2C)cnn1C 2780959 BKSODUBTGIJKBH-GMSGAONNSA-N 404.259 3.372 0 40 HGAB CCn1c(SCCN2C(=O)c3ccccc3C2=O)nc2sc(C)c(C)c2c1=O 3374204 JFGGRKFMLNPHPV-UHFFFAOYSA-N 413.524 3.483 0 40 HGAB CCOC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C 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QYNMXGBKGOJKPL-UHFFFAOYSA-N 412.305 3.481 0 40 HGAB Cc1cc(=O)c(C(=O)NCCCN2CCCC[C@H]2C)nn1-c1ccc(Cl)cc1 7240730 WRJHDYFWPYOREP-OAHLLOKOSA-N 402.926 3.189 0 40 HGAB CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CCCC3)c(C)c2)cc1 7362047 OHLJFVMIXKLXGU-UHFFFAOYSA-N 418.515 3.196 0 40 HGAB COc1ccc(OC)c([C@@H]2N=C(Nc3cccc(C)c3)Nc3nc(C)cc(=O)n32)c1 7495816 ZMLCYCCDGHBXTK-HXUWFJFHSA-N 405.458 3.318 0 40 HGAB CC(C)c1ccc(OCc2nnc(SCC(=O)N3CCCCCC3)n2N)cc1 7672785 OBMPNYJOPCZCPW-UHFFFAOYSA-N 403.552 3.189 0 40 HGAB Cc1ccc(NCC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)c(Cl)c1 7972399 FSVFRBZFHNJUGG-UHFFFAOYSA-N 407.923 3.484 0 40 HGAB CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)CNC(=O)C1CCCCC1 8294385 FZBOEEPFARCOEU-UHFFFAOYSA-N 400.306 3.087 0 40 HGAB COc1ccc(CC[C@@]2(C)NC(=O)N([C@H](C)C(=O)Nc3ccccc3F)C2=O)cc1 8389254 WQMCFMVBFRABTE-JLCFBVMHSA-N 413.449 3.105 0 40 HGAB Cc1ccccc1-c1noc(COC(=O)c2sc3nc4n(c(=O)c3c2C)CCC4)n1 8734882 NYUZJWPJEQFNFX-UHFFFAOYSA-N 422.466 3.428 0 40 HGAB Cc1ccc(-c2nn(CC(=O)NCCc3ccccc3)c(=O)c3nc(C)sc23)cc1 8955134 HDTSSRZYGBVYGN-UHFFFAOYSA-N 418.522 3.496 0 40 HGAB CC(C)CCNC(=O)[C@H]1CCc2sc(NC(=O)c3ccc4c(c3)OCO4)nc21 9132434 MPGRRLJUIAZKGQ-ZDUSSCGKSA-N 401.488 3.316 0 40 HGAB O=C(COc1ccc(S(=O)(=O)N2CCCCCC2)cc1)Nc1cccc(F)c1 9668688 GGWFSYCUMBXWSE-UHFFFAOYSA-N 406.479 3.408 0 40 HGAB Cc1c(NS(=O)(=O)c2ccccc2)cccc1C(=O)NCc1ccc2c(c1)OCO2 10112833 WHOJJVJFBOVGJA-UHFFFAOYSA-N 424.478 3.455 0 40 HGAB Cc1cc(-c2cc(N)c(=O)n(CC(=O)Nc3ccccc3-n3cccc3)n2)c(C)o1 12144417 WZKJHISQFWBUDK-UHFFFAOYSA-N 403.442 3.132 0 40 HGAB COc1ncc(C(=O)N2CCC(c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](C)N4)CC2)cn1 12182669 CMNKSDQKSHUESX-IAQYHMDHSA-N 424.427 3.009 0 40 HGAB O=C(O)[C@H]1Sc2c(sc(=O)n2-c2ccccc2)[C@H]2c3ccccc3OC(=O)[C@H]12 12393766 MMSQLYKMBQRQFM-DZKIICNBSA-N 411.460 3.125 0 40 HGAB Cc1cc(C)c(NC(=O)[C@@H]2Nc3cc(C(F)(F)F)ccc3S(=O)(=O)N2)c(C)c1 12414568 BHMWSWGXLMSDNI-MRXNPFEDSA-N 413.421 3.299 0 40 HGAB CCS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1cc(C)nc2ccccc12 12545141 XMRNFKBZTQBEDZ-OAQYLSRUSA-N 409.511 3.258 0 40 HGAB Cn1ccnc1SCCNC(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O 12548061 PSUALOQQHJUKGU-LJQANCHMSA-N 407.495 3.396 0 40 HGAB COc1ccc(S(=O)(=O)NCCCCCc2nc(-c3cccs3)no2)cc1 12798104 YZTLKOVYGCPRCH-UHFFFAOYSA-N 407.517 3.498 0 40 HGAB COc1ccc([C@@H](CNC(=O)CSc2ccccc2F)N2CCOCC2)cc1 12971867 ILHXOXFKDOERGT-LJQANCHMSA-N 404.507 3.116 0 40 HGAB COc1cc(CNS(=O)(=O)c2ccc(Br)s2)cc(OC)c1OC 13669402 HFGAMHOLVKBLCF-UHFFFAOYSA-N 422.322 3.015 0 40 HGAB COc1ccc(-c2nnc3ccc(OCCNC(=O)Nc4ccc(F)cc4)nn23)cc1 13706201 SXMLPAQSLOHGCD-UHFFFAOYSA-N 422.420 3.140 0 40 HGAB CC[C@H](C(=O)NCc1ccccc1OC)N(c1cccc(Cl)c1)S(C)(=O)=O 13712183 MZXWUHUMDPARKN-QGZVFWFLSA-N 410.923 3.210 0 40 HGAB COC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3)c(=O)n2[C@H]1c1ccc(Cl)cc1 13765971 UPROUBUGGMPZSI-WPNIOXTASA-N 424.909 3.062 0 40 HGAB O=C(Nc1cccc(Br)c1)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 14019315 HPDGAYODUROVMT-AWEZNQCLSA-N 423.332 3.489 0 40 HGAB O=c1c2ccccc2nc(SCCN2CCOCC2)n1-c1ccccc1Cl 15274886 HOHPJQHYKRBAGR-UHFFFAOYSA-N 401.919 3.463 0 40 HGAB Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)N(C)CCOc1ccccc1 18073145 AEWDARQKKYKQMN-UHFFFAOYSA-N 421.423 3.230 0 40 HGAB Cc1nccn1CC1(O)CCN(Cc2ccccc2OCCN2CCCCC2)CC1 19288006 HQVFCWDMBUGPSS-UHFFFAOYSA-N 412.578 3.083 0 40 HGAB O=C([C@@H](c1ccc(Cl)cc1)N1CCOCC1)N1CCC(Oc2cccnc2)CC1 19339758 HMXDUAWFCDEISC-OAQYLSRUSA-N 415.921 3.178 0 40 HGAB O=C(c1ccnc(N2CCOCC2)c1)N1CCC(c2noc3cc(F)ccc23)CC1 19346154 DDCVHGIUEMBAON-UHFFFAOYSA-N 410.449 3.218 0 40 HGAB O=C1NCCN(C(=O)Cc2cccnc2)C[C@H]1Cc1ccc(-c2ccccc2F)cc1 19368394 QQRPCMJJPNYIQQ-OAQYLSRUSA-N 417.484 3.248 0 40 HGAB Cc1cc(OCC(=O)N2CCO[C@@H](c3nc(-c4ccccn4)no3)C2)ccc1Cl 19570735 ITNKOXXETURJAK-QGZVFWFLSA-N 414.849 3.072 0 40 HGAB CN(Cc1nc(N2CCCC2)ncc1-c1ccncc1)C(=O)Cc1cccc(F)c1 19586348 BCVPYCQMSDEWPM-UHFFFAOYSA-N 405.477 3.479 0 40 HGAB COCC(=O)N1CC[C@H](c2nc(Nc3cccc(F)c3)cc(-c3ccncc3)n2)C1 19592725 NZFWYHCYIOUFIU-INIZCTEOSA-N 407.449 3.384 0 40 HGAB CC1(C)C[C@H](NC(=O)CN2C(=O)COc3c(Cl)cccc32)c2ccccc2O1 19660955 ALUTXZDFRNLTRY-HNNXBMFYSA-N 400.862 3.484 0 40 HGAB Cc1noc(C)c1C(=O)N1CCC(c2ccc(C(=O)Nc3nccs3)cn2)CC1 19705760 FSRRBUSHSZWMNN-UHFFFAOYSA-N 411.487 3.415 0 40 HGAB CCOC(=O)c1sc(NC(=O)CS(=O)(=O)c2ccc(C(C)(C)C)cc2)nc1C 19850435 UHHNFOPRWZLZQR-UHFFFAOYSA-N 424.544 3.338 0 40 HGAB COC(=O)[C@](NC(=O)c1ccccc1C)(Nc1ccc(Cl)cn1)C(F)(F)F 19949719 YPAWGAFZEVHSPK-MRXNPFEDSA-N 401.772 3.317 0 40 HGAB CC(C)c1ccccc1O[C@H](C)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 20039010 AXOKEOMFYFXBPL-GOSISDBHSA-N 416.543 3.110 0 40 HGAB COc1ccccc1NC(=O)C(=O)N1N=C(C2CCCCC2)C[C@@]1(O)C(F)(F)F 20059989 INDVDENVCSNEFZ-GOSISDBHSA-N 413.396 3.053 0 40 HGAB CCOc1ccc([C@@H](C)NC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)cc1 20107279 TZVBZISRCKQCTA-CQSZACIVSA-N 410.923 3.382 0 40 HGAB CCOC(=O)c1cc(NC(=O)c2ccc(C)c(NS(C)(=O)=O)c2)ccc1Cl 20482247 WYEKMQHOYDHYLH-UHFFFAOYSA-N 410.879 3.449 0 40 HGAB CCc1cccc(CC)c1NC(=O)c1ccc(CS(=O)(=O)N2CCOCC2)cc1 20485640 RBVNIJVJRVHCCN-UHFFFAOYSA-N 416.543 3.226 0 40 HGAB CC(C)CN1C(=O)[C@@]2(NC(=O)c3ccccc3N2)c2cc(Br)ccc21 20673489 BWPCHQCFQOYNGY-IBGZPJMESA-N 400.276 3.460 0 40 HGAB C[C@@H](OC(=O)c1cc(Cl)c2c(c1)OCCO2)C(=O)Nc1ccc2c(c1)OCO2 21498887 SKJBVXDRCSSUBS-SNVBAGLBSA-N 405.790 3.024 0 40 HGAB CCOC(=O)c1c(NC(=O)CN2C(=O)CC3(CCCCC3)C2=O)sc(CC)c1C 22015041 HYFPGQTWDKVLAI-UHFFFAOYSA-N 420.531 3.444 0 40 HGAB CC1(C)C[C@@H](NC(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)c2ccccc2O1 22335547 YDNMWOITJYPJIR-QGZVFWFLSA-N 406.479 3.010 0 40 HGAB CCOC(=O)[C@@H]1CCCN(C(=O)c2cc(Br)c(OC)c(OCC)c2)C1 22407663 XETSIBZEWPKQAX-GFCCVEGCSA-N 414.296 3.272 0 40 HGAB CCOC(=O)[C@H]1CCCN(C(=O)c2cc(Br)c(OC)c(OCC)c2)C1 22407666 XETSIBZEWPKQAX-LBPRGKRZSA-N 414.296 3.272 0 40 HGAB CC(C)CN1CCO[C@H](CNC(=O)c2cc3ccccc3cc2NC(=O)C2CC2)C1 22693992 AQMJXHSSHATNFY-HXUWFJFHSA-N 409.530 3.275 0 40 HGAB O=C(CN1CCN(Cc2nc(-c3ccsc3)no2)CC1)Nc1ccccc1Cl 22799995 HSEYAUUYPGBIQG-UHFFFAOYSA-N 417.922 3.208 0 40 HGAB Cc1cc(CN2CCN(CC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)CC2)no1 23292389 GJJWZEZQKBKDQZ-UHFFFAOYSA-N 416.831 3.412 0 40 HGAB O=C(c1cc(S(=O)(=O)Oc2ccc(C3SCCS3)cc2)c[nH]1)N1CCCC1 27949708 KZEHGGVNYKAGGX-UHFFFAOYSA-N 424.569 3.497 0 40 HGAB CCc1cccc2c(C(=O)COC(=O)c3ccc(=O)n(-c4ccccc4)n3)c[nH]c12 31285176 GLIPBVLTFOENAR-UHFFFAOYSA-N 401.422 3.316 0 40 HGAB COc1cccc(-n2cnc3cc(C(=O)NCc4ccccc4F)ccc3c2=O)c1 32073905 UKROQCBZPFCIQT-UHFFFAOYSA-N 403.413 3.463 0 40 HGAB CCn1nnc(NC(=S)NC(=O)c2ccc(-c3cccc(Cl)c3Cl)o2)n1 32126840 HLEBRLUTMYXGAD-UHFFFAOYSA-N 411.274 3.387 0 40 HGAB CC(=O)c1c(C)[nH]c(C(=O)N2CCC(C(=O)NCc3ccc(C)c(F)c3)CC2)c1C 32931518 DXWTXJDODMDMLS-UHFFFAOYSA-N 413.493 3.450 0 40 HGAB C[C@@H]1CCCC[C@@H]1NC(=O)CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O 33654413 UVUPKLKQLGMVLL-XLIONFOSSA-N 405.498 3.177 0 40 HGAB CNC(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc3c(c1)OCO3)CC2 33732014 DSLBEJRTMWHGAJ-GDNBJRDFSA-N 416.433 3.353 0 40 HGAB Cn1nc(NC(=O)c2ccc(Br)o2)c2c1NC(=O)C[C@H]2c1ccco1 35597891 RUGQCKFDUIYVBX-QMMMGPOBSA-N 405.208 3.095 0 40 HGAB CNC(=O)c1cn(C)c(-c2nc3cc(NC(=O)c4ccccc4)ccc3n2C)c1OC 36369931 CKCZHGSBLGHGCP-UHFFFAOYSA-N 417.469 3.199 0 40 HGAB biogenic COc1ccc(S[C@@H](C)C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)cc1OC 38755022 APYBQQQQWRAADL-LBPRGKRZSA-N 401.488 3.014 0 40 HGAB Cc1ccc(C)c(NC(=O)[C@@H]2CC(=O)Nc3nc(Nc4ccc(F)cc4)[nH]c(=O)c32)c1 40399756 RFVZHEVCVBQSNM-OAHLLOKOSA-N 421.432 3.334 0 40 HGAB COc1ccc2c(c1)CCCN2C(=O)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 44843715 VYMUYLPRZHFKNC-AWEZNQCLSA-N 413.405 3.075 0 40 HGAB C[C@H]1CN(c2ccc(CNC(=O)c3cc(-c4ccccc4Cl)[nH]n3)cn2)CCO1 46720660 GAQVEJLQCMEGGS-AWEZNQCLSA-N 411.893 3.280 0 40 HGAB CN(c1ccccc1)c1ccccc1NC(=O)NC[C@@H]([C@@H]1CCOC1)N1CCOCC1 58156383 NRDCSMRVBYVPDS-XXBNENTESA-N 424.545 3.313 0 40 HGAB CCN(c1ccc(C(=O)NCc2ccccc2S(=O)(=O)N(C)C)cc1)C(C)C 63854941 FSPCJZMRYSEOLW-UHFFFAOYSA-N 403.548 3.102 0 40 HGAB Cc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)NC[C@H](C)C[C@@H](C)O)c2)c1 78869585 MADAOQCEZKWKJE-NVXWUHKLSA-N 404.532 3.241 0 40 HGAB CCC(=O)c1ccc(OCC(=O)NC2CCN(C(=O)c3ccc(C)cc3)CC2)cc1 95348549 AEMQHCDSPMHZLK-UHFFFAOYSA-N 408.498 3.388 0 40 HGAB Cc1sc2ncc(C(=O)NC[C@H](O)c3cc(Cl)cc(Cl)c3)c(=O)n2c1C 95463077 UPVFSHBLUJFRQY-AWEZNQCLSA-N 412.298 3.143 0 40 HGAB O=C(Nc1ccc2c(c1)C(=O)N1CCC[C@H]1C(O)=N2)c1cncc(Br)c1 95472707 ULAFYMUHFAPAAT-HNNXBMFYSA-N 415.247 3.303 0 40 HGAB COc1ccccc1N1CCN(C[C@@H](O)CO[C@@H]2C(C)(C)[C@H]3CC[C@]2(C)C3)CC1 95532944 LBAQYJOJTNEFOU-JDKSZYQJSA-N 402.579 3.410 0 40 HGAB CC(=O)N1C[C@@H](c2ncn(C(C)C)n2)c2cc(C(=O)NCc3ccc(F)cc3)ccc21 96156341 AMSOSXCNQBQWHZ-HXUWFJFHSA-N 421.476 3.427 0 40 HGAB COc1ccc(/C=C2/SC(=O)N(CCNC(=O)Cc3ccsc3)C2=O)cc1 96551241 VXZQOGIHAJSVAM-MHWRWJLKSA-N 402.497 3.152 0 40 HGAB COC(=O)[C@@H]1[C@H](C(=O)OC)[C@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl 100390033 MDHHRPHYYRMIPH-MLKRKXMVSA-N 416.899 3.410 0 40 HGAB O=c1cccc2n1C[C@H]1C[C@H]2CN(c2ncnc3c2cnn3-c2ccc(Cl)cc2)C1 100629105 FGHUAHMBZBDDOQ-GJZGRUSLSA-N 418.888 3.254 0 40 HGAB CCCn1/c(=N/C(=O)c2ccccc2OC)sc2cc(S(C)(=O)=O)ccc21 101061414 FULLVMPHAGWZSO-VXPUYCOJSA-N 404.513 3.266 0 40 HGAB CCCOc1ccc(N2C(=O)C[C@H](N(C)CCOc3ccc(OC)cc3)C2=O)cc1 102930347 ANYZULVYHULYRC-NRFANRHFSA-N 412.486 3.127 0 40 HGAB O=C(COc1ccnc2c1CCCC2)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 207012926 YNFHABOFWORXGO-UHFFFAOYSA-N 420.435 3.102 0 40 HGAB CC[C@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)CSCc1ccccc1 223373943 OLQJTCRHLAXSDY-HXUWFJFHSA-N 400.544 3.482 0 40 HGAB CCOC(=O)CN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccc(OC)c(F)c1 225110256 CFWKRZISAZGVJZ-UHFFFAOYSA-N 419.833 3.385 0 40 HGAB CCOc1ccc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1Cl 225359200 NBHLYVFZWPDAMO-UHFFFAOYSA-N 402.878 3.425 0 40 HGAB CCOCCOc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCOCC2)cn1 225877851 GSXIUJBIRZGIDO-UHFFFAOYSA-N 400.475 3.192 0 40 HGAB Cc1cc(C)nc(NCCC(=O)N2CCC[C@H]2c2cccc(-n3ccnc3C)n2)n1 257299315 RPNNUTHZSZBLAA-IBGZPJMESA-N 405.506 3.148 0 40 HGAB Cc1ncsc1C(=O)N[C@@H]1CCCC[C@@]12CN(C[C@@H]1C[C@@H]3C=C[C@H]1C3)CCO2 306124338 BMYJZPSYNRLJRA-GPUAKUCWSA-N 401.576 3.407 0 40 HGAB O=C(NCc1nnc2n1C[C@H](C(F)(F)F)CC2)c1cc(-c2ccc(F)cc2)c[nH]1 390832292 YLNBOIZQGOXDDX-CYBMUJFWSA-N 407.371 3.467 0 40 HGAB CCc1cccc(CC)c1NC(=O)[C@H](C)NS(=O)(=O)c1cc(C)ccc1OC 408550440 CAMRGIBCCZRPLJ-HNNXBMFYSA-N 404.532 3.434 0 40 HGAB Cc1ccc(C(=O)O)c(NC(=O)c2ccc(N3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2)c1 408673427 SBUCHUBPUNXKFH-HZVDNRATSA-N 416.433 3.257 0 40 HGAB COC(=O)COc1ccc(Br)cc1/C=C1/SC(=O)N(C(C)C)C1=O 409014775 JGPCORPFIGIMNL-NTUHNPAUSA-N 414.277 3.446 0 40 HGAB COC(=O)[C@@H]1C(=O)Nc2sc(C(=O)c3ccccc3)c(N)c2[C@@H]1c1ccccc1 409123164 FHJBRZOMFPCGID-HOCLYGCPSA-N 406.463 3.435 0 40 HGAB COc1ccc([C@@H](C)NC(=O)N2CCN(c3ncccc3F)CC2)c(C)c1OC 513431800 KYMLIPRBJGOCMB-OAHLLOKOSA-N 402.470 3.139 0 40 HGAB Cc1cc(NC(=O)[C@@H]2CCCN(C(=O)NCC(C)C)C2)nn1-c1cccc(F)c1 538433611 NYWVQVMTZXRSTJ-MRXNPFEDSA-N 401.486 3.336 0 40 HGAB CN(C)Cc1nnc([C@@H]2CCCCN2C(=O)/C=C/c2ccccc2OC(F)F)o1 583621848 CVRUJMVLFJDRPD-NKSUMMKUSA-N 406.433 3.500 0 40 HGAB C[C@H]1c2cc(Cl)cc(Cl)c2CCN1C(=O)c1cccc(-n2[nH]nnc2=N)c1 1137301696 KUOIHUDCIDLHOG-JTQLQIEISA-N 403.273 3.141 0 40 HGAB COc1cc(OC)cc(C(=O)N2CCC[C@@](O)(COc3ccc(F)cc3)CC2)c1 2037912056 DYSIHFCGIACTAT-QFIPXVFZSA-N 403.450 3.279 0 40 HGAB O=C1C[C@H](c2ccc(S(=O)(=O)NC(c3ccccc3)c3ccccc3)cc2)CN1 1444230 BSLHLAISEPEKCO-FQEVSTJZSA-N 406.507 3.358 0 40 HGAB COc1cccc(-c2nnc(SCC(=O)Nc3ccc(OC)c(Cl)c3)n2N)c1 2395758 MXBBFHBNDWTJCD-UHFFFAOYSA-N 419.894 3.060 0 40 HGAB O=C(CSc1ccccc1)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 2634242 WKVNBFMXHPLXSG-UHFFFAOYSA-N 400.485 3.008 0 40 HGAB Cc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)Nc2cc(C)on2)cc1 3192406 HVCNSPFFCDOXEV-LJQANCHMSA-N 411.483 3.046 0 40 HGAB Cn1c(CSc2nc3ccccc3s2)nnc1SCC(=O)N1CCCC1 3246867 KHLQXTDEAVNDPF-UHFFFAOYSA-N 405.574 3.432 0 40 HGAB C[C@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)N1CC=C(c3ccccc3)CC1)C2=O 3406648 YBSUAFHBGBTWLX-XDHUDOTRSA-N 409.530 3.439 0 40 HGAB Cc1ccc(C(=O)OCC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)s1 3523668 LMGNUNBHPOVLCK-UHFFFAOYSA-N 407.513 3.271 0 40 HGAB COc1ccc(CCN2C(=O)N(C(C)C)[C@H](N(O)C(=O)NC(C)C)C2(C)C)cc1 3985300 CXYKMWFEXVHREA-GOSISDBHSA-N 406.527 3.298 0 40 HGAB biogenic Cc1cc(NC(=O)CSc2nnc(NC(=O)CCc3ccccc3)s2)no1 4088004 AZOMVOQDFHJXAL-UHFFFAOYSA-N 403.489 3.137 0 40 HGAB CCn1c(SCC(=O)Nc2ccc3c(c2)OCCCO3)nnc1-c1ccco1 4516168 ATPXCXBPSMLHGW-UHFFFAOYSA-N 400.460 3.450 0 40 HGAB O=C(CSc1nc2ccccc2n1CC(=O)N1CCCC1)NCc1ccccc1 4859140 WIYSXGIVIIQBLD-UHFFFAOYSA-N 408.527 3.067 0 40 HGAB CCOc1ccccc1-n1c(=O)[nH]c2c(C(N)=O)nc(-c3ccc(C(C)C)cc3)nc21 4940473 JKGNMZCKNSEEQT-UHFFFAOYSA-N 417.469 3.397 0 40 HGAB COCCCn1c(C)cc(C(=O)COC(=O)c2ccc(OC)c(OC)c2OC)c1C 5631399 BMVVFFFNZFGIPR-UHFFFAOYSA-N 419.474 3.207 0 40 HGAB CC(=O)c1ccc(OCCCC(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)cc1 5829106 HCQSIGGOQJYBFA-UHFFFAOYSA-N 418.515 3.246 0 40 HGAB CCOC(=O)c1c(C)n(S(=O)(=O)c2ccc(C)cc2)c2ccc(O)c(C(=O)O)c12 6550471 JSYMYFBITWCTGW-UHFFFAOYSA-N 417.439 3.076 0 40 HGAB Cc1ccccc1N(CC(=O)N[C@@H](c1nc2ccccc2[nH]1)C(C)C)S(C)(=O)=O 6610583 RXUKINJNWCKEDH-HXUWFJFHSA-N 414.531 3.151 0 40 HGAB COc1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@@H]2c2ccc(OC)cc2OC)cc1 6669756 YRBGPSDICPLVAI-HXUWFJFHSA-N 421.457 3.232 0 40 HGAB Cc1ccsc1CN(C(=O)COc1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 6810213 AJLNKGWMAVYVCY-HNNXBMFYSA-N 413.948 3.305 0 40 HGAB CCCOc1ccc(C(=O)N(Cc2cccc(F)c2)[C@H]2CCS(=O)(=O)C2)cc1 6810979 USQIEBHZXKCNAF-IBGZPJMESA-N 405.491 3.444 0 40 HGAB COc1ccccc1NCCN[C@H](CC(=O)Nc1ccc2ccccc2c1)C(=O)O 7276557 NCPKDXGBNJNETL-HXUWFJFHSA-N 407.470 3.332 0 40 HGAB COc1ccccc1CNC(=O)/C(=C/c1ccco1)n1nnnc1-c1ccccc1 7398116 ZLQCGLMFXQWQNH-RGEXLXHISA-N 401.426 3.256 0 40 HGAB COC(=O)c1ccccc1NS(=O)(=O)c1c(C(=O)OC)sc2ccccc12 7428287 MZRMUIBILXIBGN-UHFFFAOYSA-N 405.453 3.275 0 40 HGAB Cc1nnc(SCC(=O)N2CCN(c3ccc(F)cc3)CC2)n1-c1ccccc1 7458909 PIQLPEZMCGDUEJ-UHFFFAOYSA-N 411.506 3.156 0 40 HGAB O=C1O[C@H]2[C@H](O)C[C@@H]1[C@@H]1[C@H]2N(CC2CCCCC2)C(=S)N1CC1CCCCC1 8296111 SJIMIUUHGVVFCZ-WAPOTWQKSA-N 406.592 3.093 0 40 HGAB biogenic,in-vitro C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)N(C)Cc1ccc(Cl)cc1Cl 8533881 VJPPOZJRNOTXRH-LLVKDONJSA-N 416.330 3.100 0 40 HGAB CC(C)[C@@H](NS(=O)(=O)c1ccccc1)C(=O)OCc1nc2ccccc2s1 8761963 PEWUUBLJNVLVCE-GOSISDBHSA-N 404.513 3.343 0 40 HGAB CSc1nc(NC(C)C)c2cnn(CCNC(=O)c3c(F)cccc3F)c2n1 8941464 NZXXNYYOWXBNQO-UHFFFAOYSA-N 406.462 3.077 0 40 HGAB COc1ccc2c(C)c(CC(=O)NC3CC(C)(C)NC(C)(C)C3)c(=O)oc2c1C 9451068 HZGBNTXDZOZXQM-UHFFFAOYSA-N 400.519 3.386 0 40 HGAB C[C@H](Sc1nnc(NCc2ccco2)s1)C(=O)NCc1ccc2c(c1)OCO2 9789714 UVEGISBHEHXTEO-NSHDSACASA-N 418.500 3.269 0 40 HGAB COC(=O)C1=C(C(=O)c2ccc(F)cc2)[C@H](c2ccc(C(C)C)cc2)n2nnnc2N1 10232062 IPEDJMLNMLHUDP-IBGZPJMESA-N 421.432 3.261 0 40 HGAB CCOc1cccc(NC(=O)CN(c2ccc(OC)c(Cl)c2)S(C)(=O)=O)c1 10294493 HFGQAFODDMNRES-UHFFFAOYSA-N 412.895 3.152 0 40 HGAB COc1cc(OC)cc([C@@H](NS(=O)(=O)c2ccc(C)cc2C)c2nccn2C)c1 10747823 TZCQEIFLMJUBPN-HXUWFJFHSA-N 415.515 3.122 0 40 HGAB CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)c1cc2c(C)nn(C)c2s1 10766755 GBIUHUWYUQALGC-UHFFFAOYSA-N 413.503 3.002 0 40 HGAB CCC(=O)Nc1ccc(-c2csc(NC(=O)Cn3c(C)csc3=O)n2)cc1 11436812 LUYNQTUYYWAIRR-UHFFFAOYSA-N 402.501 3.329 0 40 HGAB C[C@@]1(C(=O)Nc2ccc(C(=O)O)cc2)Cc2ccc(Br)cc2C(=O)O1 11666703 KCXOQCFUICLLNQ-SFHVURJKSA-N 404.216 3.258 0 40 HGAB O=C(c1ccc2c(c1)OCO2)N1CCC(Cn2nc(-c3ccccc3)ccc2=O)CC1 12155886 NBJKKUMRZLSAIB-UHFFFAOYSA-N 417.465 3.191 0 40 HGAB CS(=O)(=O)c1ccc(C(=O)Nc2sc(-c3ccccc3)cc2C(N)=O)cc1 12232693 SXYYYWBEFZUKAK-UHFFFAOYSA-N 400.481 3.170 0 40 HGAB COc1cccc(CC(=O)N2CCC[C@H](c3nc(O)cc(-c4ccccn4)n3)C2)c1 12256743 QRFDFYTVQDIKRG-KRWDZBQOSA-N 404.470 3.202 0 40 HGAB C[C@H](Sc1ccc(S(=O)(=O)N2CCCC2)cn1)C(=O)N(C)c1ccccc1 12537494 HPYYJDOKQVGXMM-HNNXBMFYSA-N 405.545 3.010 0 40 HGAB CCCCCCNC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1F 12743016 ZILHTOFPOMPGTN-LJQANCHMSA-N 406.523 3.412 0 40 HGAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C1=Cc2cc(Cl)ccc2OC1 12789635 JPMUELNHCFTJTC-UHFFFAOYSA-N 422.890 3.013 0 40 HGAB O=C(NCC1CCCCC1)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 12818790 ZWGOUJKBOBXRNV-UHFFFAOYSA-N 400.491 3.062 0 40 HGAB C[C@@H](OC(=O)c1ccc2c(c1)NC(=O)CS2)C(=O)N(C)Cc1cccc(F)c1 12976488 PSMKWBXBVWTTJF-GFCCVEGCSA-N 402.447 3.074 0 40 HGAB NC(=O)CN(Cc1ccccc1Cl)S(=O)(=O)c1cccc(C(F)(F)F)c1 13012405 CKBGYVFJEMDBTI-UHFFFAOYSA-N 406.813 3.035 0 40 HGAB Cc1ccccc1N1CCN(CN2C(=O)N[C@](C)(c3ccc4c(c3)CCC4)C2=O)CC1 13097765 BLTOBOVTUINLGB-RUZDIDTESA-N 418.541 3.030 0 40 HGAB CCCOc1ccc(C(=O)N2CCN(CC(=O)Nc3cccc(C)c3C)CC2)cc1 14226495 XKJRIHBTLBUBMK-UHFFFAOYSA-N 409.530 3.489 0 40 HGAB CCc1cccc(CC)c1NC(=O)c1ccc(N2C(=O)[C@@H](C)CS2(=O)=O)cc1 15842866 LTZXVUFTCBZVOR-AWEZNQCLSA-N 400.500 3.376 0 40 HGAB CCCCCCNC(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(CCc4c[nH]c5ccccc45)C(=O)[C@@H]13)O2 15894156 VHLZIJNLSWSJQK-OUMCCJGNSA-N 421.541 3.189 0 40 HGAB biogenic O=C(O)C1CCN([C@H]2CC(=O)N(c3ccccc3Sc3ccccc3)C2=O)CC1 18063718 SAEWTYFESQINPN-SFHVURJKSA-N 410.495 3.266 0 40 HGAB Cc1nc(C)c(C(=O)N2CCCC[C@@H]2c2nc(O)c3c(n2)CN(C(C)C)CC3)s1 19560128 DBQXNMQKOYMEFT-QGZVFWFLSA-N 415.563 3.389 0 40 HGAB COCCC(=O)N1CCC[C@@](Cc2ccc(-c3ccncc3)cc2)(C(=O)N(C)C)C1 19579060 NLQSPNOUDRINRJ-DEOSSOPVSA-N 409.530 3.025 0 40 HGAB O=C([C@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1)N1CCCCCC1 20100147 UVGQXADWGNPHBS-OAQYLSRUSA-N 414.527 3.187 0 40 HGAB CCN1CCN(c2ccc(NC(=O)[C@@H]3CC(=O)Nc4cc(F)ccc43)c(C)c2)CC1 22238039 UKLNZXHCCYLLQI-LJQANCHMSA-N 410.493 3.341 0 40 HGAB Cc1ccc2c(c1)[C@@H](NC(=O)CN(c1ccccc1F)S(C)(=O)=O)CC(C)(C)O2 22335361 ZPQUEXNPGQEVPG-KRWDZBQOSA-N 420.506 3.319 0 40 HGAB CCOC(=O)C1CCN([C@@H](c2ccco2)c2sc3nc(CC)nn3c2O)CC1 22853574 GSARVXIMJQPYJM-HNNXBMFYSA-N 404.492 3.016 0 40 HGAB CC(=O)c1ccc(S(=O)(=O)NCCC(=O)Nc2cccc3c2CCCC3)cc1 22879931 GPXIGMVEGDEWHV-UHFFFAOYSA-N 400.500 3.075 0 40 HGAB COC(=O)C[C@@H](NC(=O)CCc1ccccc1OC)c1ccc(OC)c(OC)c1 24485578 JLKOFYAMABGOMT-QGZVFWFLSA-N 401.459 3.066 0 40 HGAB Cc1ccc(CS(=O)(=O)N2CCC(C(=O)Nc3ccc(F)cc3F)CC2)cc1 24608931 XXCIMAVGZLNDKM-UHFFFAOYSA-N 408.470 3.454 0 40 HGAB O=C(CCNC(=O)c1ccc(Cl)cc1)OCc1ccc(C(=O)N2CCCC2)cc1 25698481 TYSLXLPMPPRKGU-UHFFFAOYSA-N 414.889 3.439 0 40 HGAB CN(C)S(=O)(=O)c1cccc(S(=O)(=O)Nc2ccc(SC(F)F)cc2)c1 26545355 VTILCJYWUMNZPM-UHFFFAOYSA-N 422.500 3.052 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)c2cccc(OC(F)F)c2)c1 28834930 RTKURBYPVWCLAS-UHFFFAOYSA-N 414.430 3.276 0 40 HGAB O=C(O)[C@@H]1Sc2[nH]c(=O)sc2[C@@H](c2ccco2)[C@@H]1C(=O)c1ccc(F)cc1 32597841 VLJQADBFDVUVNF-YWPYICTPSA-N 405.428 3.358 0 40 HGAB O=S1(=O)C[C@@H]2N=C(SCCOc3ccccc3)N(c3cccc(Cl)c3)[C@H]2C1 32640662 LRIAGPKHALRGHN-ROUUACIJSA-N 422.959 3.494 0 40 HGAB COc1ccc(Br)cc1CN(C)C(=O)c1cnn2c(C)cc(C)nc12 32795055 FIUCLJASXCBPLJ-UHFFFAOYSA-N 403.280 3.389 0 40 HGAB COc1ccc(OC)c(N2C[C@H](C(=O)Nc3ccnn3C3CCCCC3)CC2=O)c1 32795999 YZDGPYFEYRBFQV-OAHLLOKOSA-N 412.490 3.397 0 40 HGAB CCOc1ccc(NC(C)=O)cc1S(=O)(=O)N1CCc2[nH]c3ccccc3c2C1 32885542 HQETZHUQKPQZDW-UHFFFAOYSA-N 413.499 3.272 0 40 HGAB O=C(CC[C@H]1N=C(O)N(Cc2ccco2)C1=O)Nc1ccc(OC(F)(F)F)cc1 36601376 DCMONQJUHGCEDI-CQSZACIVSA-N 411.336 3.222 0 40 HGAB CCc1nnc(SCC(=O)N2CCN(c3ccccc3)CC2)n1-c1ccccc1 38535169 SKWGBRVFEAWDNI-UHFFFAOYSA-N 407.543 3.271 0 40 HGAB C[C@H](NC(=O)CSc1nc(CN2CCOCC2)nc2ccccc12)c1ccccc1 40024542 LNBUAJXDYRCGOQ-KRWDZBQOSA-N 422.554 3.432 0 40 HGAB COc1ccc(NC(=O)c2cc(C(C)C)n(C(C)(C)C)n2)cc1S(=O)(=O)N(C)C 40141347 LELYDVQSBPUSII-UHFFFAOYSA-N 422.551 3.273 0 40 HGAB COc1ccc(CN2CCN(C(=O)[C@H]3CCCCN3C(=O)OC(C)(C)C)CC2)cc1 58005859 KIPGNOQWTLUJQX-HXUWFJFHSA-N 417.550 3.129 0 40 HGAB COc1cccc(-c2cn(C)c3c(=O)n(CC(=O)NCCC4=CCCCC4)cnc23)c1 67235488 ZTUFCXBLPVTQFD-UHFFFAOYSA-N 420.513 3.417 0 40 HGAB O=C(O)[C@@H]1CC12CCN(C(=O)C1(c3cccc(Br)c3)CCOCC1)CC2 69951960 NDTJTHPBBJRHRG-INIZCTEOSA-N 422.319 3.211 0 40 HGAB Cc1n[nH]c(C)c1CNC(=O)C1(Cc2cccc([C@H]3CCCN(C)C3)c2)CCOCC1 72372236 HWCQXTCDMGXGKS-QFIPXVFZSA-N 424.589 3.491 0 40 HGAB COc1cccc(CN2CCC[C@@H](c3cc(=O)[nH]c(-c4cccnc4)n3)C2)c1OC 72393095 MJZRCDCUBDXNLH-QGZVFWFLSA-N 406.486 3.229 0 40 HGAB O=C(NCc1nn(C2CCCC2)c(=O)c2ccccc12)c1ccc2nsnc2c1 90504322 GNOQBJCAVFFSOI-UHFFFAOYSA-N 405.483 3.446 0 40 HGAB C[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccccc1)OC(=O)c1cnn2cccnc12 95431872 VERWTPYJSOAYQX-QAPCUYQASA-N 410.474 3.411 0 40 HGAB O=S(=O)(C[C@H]1CCCN1S(=O)(=O)c1ccc(F)c(Cl)c1)c1ccccc1 96025555 XQRHNAMXLZYDJE-CYBMUJFWSA-N 417.911 3.106 0 40 HGAB CC(C)CN(C)C(=O)c1cnc(-c2noc3cc(N4CCN(C)CC4)ccc23)s1 96154602 LPUXDJNUUOGDMB-UHFFFAOYSA-N 413.547 3.431 0 40 HGAB CN(C(=O)c1ncn2c1CN(CC1CC1)S(=O)(=O)c1ccccc1-2)c1ccccc1 96266216 SIXBUKQYPRPTLA-UHFFFAOYSA-N 422.510 3.063 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3c4ccccc4C[C@@H]3C)C2)cc1 105033929 ZRJKNGOTMWKYEQ-FUHWJXTLSA-N 414.527 3.074 0 40 HGAB O=C(COc1ccc(S(=O)(=O)N2CCCCC2)cc1Cl)NCc1ccccc1 107952681 VNXUUKFUYPQDRJ-UHFFFAOYSA-N 422.934 3.210 0 40 HGAB CCN(c1ccc(C(=O)NCCCN2CCCc3ccccc32)cc1)S(C)(=O)=O 218785179 YDVNWJPZCXGAMD-UHFFFAOYSA-N 415.559 3.045 0 40 HGAB CCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCc1ccc2c(c1)OCO2 222980755 XMNOXGKFIGXQFU-OAHLLOKOSA-N 400.450 3.040 0 40 HGAB CCc1ccc(OCCNC(=O)[C@@H](C)N(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 223891927 MPVKPINTRBSWLZ-GOSISDBHSA-N 418.559 3.216 0 40 HGAB CNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)COc1ccc(F)cc1 225494859 QUTVAYCNBRMEGA-CYBMUJFWSA-N 423.282 3.130 0 40 HGAB CCCn1c(=O)sc2cc(S(=O)(=O)Nc3ccc(OC)cc3OC)ccc21 225722321 VDMGPCHLYTWVSX-UHFFFAOYSA-N 408.501 3.291 0 40 HGAB CC(=O)N1CCC(C(=O)N2CC[C@H]3O[C@H]4c5ccccc5OC(C)(C)[C@@H]4C[C@H]32)CC1 257207717 BIXRYSKHQFOXAR-CZAYHTPWSA-N 412.530 3.163 0 40 HGAB CCc1ccc(N(CC(=O)NC[C@@H]2CCCO2)S(=O)(=O)c2ccc(C)cc2)cc1 409407912 AXLJNFHZWXYERU-FQEVSTJZSA-N 416.543 3.048 0 40 HGAB CN1C(=O)c2ccc(-c3cccnc3)cc2O[C@H]2CN(C(=O)C3CCCCC3)C[C@H]21 514289389 JSHWKRILIUYVIW-IRLDBZIGSA-N 405.498 3.373 0 40 HGAB biogenic,in-vitro O=S(=O)(Cc1ccc(C(F)(F)F)cc1)N1CCC[C@@H](Oc2ncc(F)cn2)C1 575612692 LQMJOTOAXUQUHH-OAHLLOKOSA-N 419.400 3.008 0 40 HGAB Cc1nc(N2CCN(C(=O)c3nc(-c4cccc(C(F)(F)F)c4)oc3C)CC2)n[nH]1 1583324809 ADTWBCIZTHKOGC-UHFFFAOYSA-N 420.395 3.058 0 40 HGAB Cc1cc(C)n(-c2cc(OCC3CCN(c4ccnc(C5CC5)n4)CC3)ncn2)n1 1775971423 OBQNFFADJSRZCO-UHFFFAOYSA-N 405.506 3.242 0 40 HGAB COc1cccc(S(=O)(=O)NCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1 630581 GOEYLENNBCAGMV-UHFFFAOYSA-N 422.812 3.284 0 40 HGAB O=C(CS(=O)(=O)c1ccc2ccccc2c1)Nc1ccc(Br)cn1 1018830 XRYQOOLBWQMNQV-UHFFFAOYSA-N 405.273 3.410 0 40 HGAB Cc1ccc(S(=O)(=O)N[C@H](CC(=O)Nc2nccs2)c2ccccc2)cc1 1100284 VEZUPPOFMLQPRS-QGZVFWFLSA-N 401.513 3.500 0 40 HGAB Cc1c(OCC(=O)N2CCC(C(=O)O)CC2)ccc2c(-c3ccccc3)cc(=O)oc12 2119758 JQTFJWPRSLIBRZ-UHFFFAOYSA-N 421.449 3.470 0 40 HGAB biogenic COC(=O)COc1ccc2c(-c3cc4cccc(OC)c4oc3=O)cc(=O)oc2c1 2159029 MKNNBJQEJSGPLL-UHFFFAOYSA-N 408.362 3.127 0 40 HGAB biogenic COc1ccc(C)cc1-n1nnnc1SCC(=O)Nc1ccccc1SC 3491791 BADIUDKOPONAKH-UHFFFAOYSA-N 401.517 3.432 0 40 HGAB Cc1ccc(-c2nc(CCNS(=O)(=O)c3ccc4c(c3)OCCO4)cs2)cc1 4570694 YHLMITOFXZBZBC-UHFFFAOYSA-N 416.524 3.411 0 40 HGAB CCOC(=O)N1CCC(NC(=O)[C@H](NC(=O)C2CCC(C)CC2)[C@H](C)CC)CC1 4778578 JWIYPYDSXPJGNL-MPLMCADHSA-N 409.571 3.081 0 40 HGAB CC(C)NC(=O)Cn1c(SCC(=O)N2C[C@@H](C)C[C@@H](C)C2)nc2ccccc21 4859292 FGSOMNYRKIDQHG-IYBDPMFKSA-N 402.564 3.158 0 40 HGAB Cc1cc(NC(=O)[C@@H](C)SCC(=O)Nc2ccc(C(=O)OC(C)C)cc2)no1 6648602 JNYNKCZDPRCDRJ-CYBMUJFWSA-N 405.476 3.247 0 40 HGAB CCc1ccccc1Nc1nc(N)nc(CSc2nnc(NC3CC3)s2)n1 7305006 NMPJHAGLROZNCX-UHFFFAOYSA-N 400.537 3.478 0 40 HGAB O=C(CSc1nnc(-c2ccco2)o1)Nc1cc(Cl)ccc1-n1cncn1 7564702 PGIXWGRHGZQWME-UHFFFAOYSA-N 402.823 3.295 0 40 HGAB CC(=O)c1cc2c(cc1NC(=O)CSc1nnc(C3CC3)n1C1CC1)OCO2 7905162 NJECMZUCXJODFI-UHFFFAOYSA-N 400.460 3.153 0 40 HGAB CCOc1ccccc1C(=O)N[C@@H](C(=O)N(C)Cc1ccc2c(c1)OCO2)C(C)C 8072939 GDXGKDPHGCWQOL-OAQYLSRUSA-N 412.486 3.227 0 40 HGAB Cc1cccc2c(=O)n(CC(=O)N[C@@H](CC(C)C)c3nc4ccccc4[nH]3)cnc12 8710068 NCVHYYTYZZKSBC-IBGZPJMESA-N 403.486 3.485 0 40 HGAB COc1cc(C(=O)Nc2ccc3c(c2)OCC(C)(C)C(=O)N3)cc(OC)c1OC 8959133 QTCCQKSZAOVVCR-UHFFFAOYSA-N 400.431 3.322 0 40 HGAB O=c1c(-c2ccc(Cl)cc2)[n+]([O-])c2ccccc2n1OCc1nc2ccccc2[nH]1 9370628 ZWMSOERNTKVYIL-UHFFFAOYSA-N 418.840 3.460 0 40 HGAB CCOc1ccccc1CCCNC(=O)[C@@H](C)N(c1ccc(F)cc1)S(C)(=O)=O 10111014 LTMMGFPTHXOPBS-MRXNPFEDSA-N 422.522 3.128 0 40 HGAB CCOC(=O)c1ccc(NS(=O)(=O)c2cc(C)c3[nH]c(=O)cc(C)c3c2)cc1 10274250 HLIDRFUVTQDXDX-UHFFFAOYSA-N 400.456 3.122 0 40 HGAB COc1ccc(NC(=O)C(=O)NC[C@@H](c2cccc3ccccc23)N(C)C)c(OC)c1 10333577 SLFYQQYHFCJSMZ-NRFANRHFSA-N 421.497 3.215 0 40 HGAB COc1cccc(N(CC(=O)N2CCC[C@@H](C)C2)S(=O)(=O)c2ccc(C)cc2)c1 10541245 GIFIVZJQEFVMES-GOSISDBHSA-N 416.543 3.457 0 40 HGAB COc1cc(Cl)c(NC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)cc1OC 10591019 IOPFRKBYVMHYQO-UHFFFAOYSA-N 424.906 3.322 0 40 HGAB NC(=O)c1cc(Cl)ccc1OCC(=O)Nc1cc2c(cc1Cl)OCCCO2 11190113 TUXQQHZPMUZWTA-UHFFFAOYSA-N 411.241 3.271 0 40 HGAB COc1ccccc1CNC(=O)C[C@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1 11612926 VCWOUWIQJCKIIN-GOSISDBHSA-N 420.506 3.084 0 40 HGAB Cc1ccccc1C(=O)N(Cc1ccc(Br)o1)[C@H]1CCS(=O)(=O)C1 11913994 TYQGDKSSQJEECJ-ZDUSSCGKSA-N 412.305 3.180 0 40 HGAB Cc1ccc(C(=O)CCC(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)cc1C 12260592 VMOUHMBQMLSTNF-UHFFFAOYSA-N 400.500 3.445 0 40 HGAB CCOC(=O)c1ccsc1NC(=O)CSc1nc(-c2ccccc2)cn1N 12535805 ILHKLJIAIXKPKR-UHFFFAOYSA-N 402.501 3.233 0 40 HGAB Cc1ccc(C)c(S(=O)(=O)NCCNC(=O)c2ccc(C(F)(F)F)cc2)c1 12741481 QLNLBXFAZJQJON-UHFFFAOYSA-N 400.422 3.031 0 40 HGAB CSCC[C@@H](NS(=O)(=O)c1cc(C)ccc1C)C(=O)Nc1cccc(F)c1 12778565 NADOWTKSFTVYTI-QGZVFWFLSA-N 410.536 3.481 0 40 HGAB Cc1ccc(C(=O)NCC(=O)Nc2nc(CN3C[C@@H](C)C[C@H](C)C3)cs2)cc1 12783505 RYPZKVJXHBLMLG-HOTGVXAUSA-N 400.548 3.298 0 40 HGAB C[C@@H](OC(=O)[C@]12CCC(=O)N1c1ccccc1S2)C(=O)Nc1ccc(Cl)cn1 12789763 LJBDXADRBVTVMS-NSPYISDASA-N 417.874 3.234 0 40 HGAB C[C@H]1CN(CCCNC(=O)c2cccc(NC(=O)c3cccs3)c2)C[C@@H](C)O1 12912225 QDQHWLNSRKMVKL-IYBDPMFKSA-N 401.532 3.230 0 40 HGAB CN(C(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O)c1nc2ccccc2s1 12923907 WMHRHAFMPKFQGR-UHFFFAOYSA-N 401.513 3.285 0 40 HGAB O=C(N1CCN(S(=O)(=O)c2ccccc2)CC1)C12C[C@@H]3C[C@@H](CC(Cl)(C3)C1)C2 13527565 IGHVCTUUPCCWTM-AGXSTUJCSA-N 422.978 3.097 0 40 HGAB CN(CC(=O)Nc1cccc2ccccc12)C(=O)C1CCN(C(=O)c2ccco2)CC1 14167637 OTUDWOKTAADEBS-UHFFFAOYSA-N 419.481 3.382 0 40 HGAB Cc1nn(CC(C)C)c2sc(C(=O)N[C@H](C)c3ccc(S(N)(=O)=O)cc3)cc12 14234721 WOJZWFXIWOEPDD-GFCCVEGCSA-N 420.560 3.201 0 40 HGAB CCc1ccccc1NC(=O)COc1ccc(S(=O)(=O)NC2CCCC2)cc1 16162486 AQDOJDFFCGCQEE-UHFFFAOYSA-N 402.516 3.487 0 40 HGAB Cc1nn(-c2ccc(C(=O)NN3C(=O)NC4(CCCCC4)C3=O)cc2)c(C)c1Cl 17114468 VJSXHPWJDKKIRO-UHFFFAOYSA-N 415.881 3.042 0 40 HGAB CCCCCOc1c(OC)cccc1[C@@H]1NC(=S)NC(C)=C1C(=O)OCCOC 18117105 RBDFUAXOMRUSFH-SFHVURJKSA-N 422.547 3.247 0 40 HGAB Cc1c(S(=O)(=O)N2CCC[C@H](COc3ccc(F)cc3)C2)cnn1C(F)F 19553059 HJWYLMXTCAOFFR-ZDUSSCGKSA-N 403.426 3.205 0 40 HGAB Cc1nnsc1C(=O)N1CCC(c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C)N3)CC1 19563408 NNPCIJTVLWVJJD-NOZJJQNGSA-N 414.457 3.370 0 40 HGAB CNC(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CN(C(=O)c2cccnc2)CCO1 19591881 OPRYLZOGUOAYET-QHCPKHFHSA-N 421.522 3.010 0 40 HGAB COc1ccc(CCC(=O)N2CC[C@H](c3cc(C(N)=O)c4ccccc4n3)C2)cc1 19761794 SERFSZQLQHGGRZ-KRWDZBQOSA-N 403.482 3.291 0 40 HGAB Cc1csc2nc(CSc3nnc(NC(=O)c4ccccc4)s3)cc(=O)n12 20984232 HBVHWSSOVYZORH-UHFFFAOYSA-N 415.525 3.461 0 40 HGAB Cc1nn(C(F)F)c(C)c1S(=O)(=O)N1CCN(Cc2ccc(Cl)cc2)CC1 22468289 QVDIGVOSSPYEKT-UHFFFAOYSA-N 418.897 3.055 0 40 HGAB CCC(CC)[C@@H](CNC(=O)c1cc(F)ccc1Br)N1CCOCC1 22755752 OBQMJIBEJIXEOK-QGZVFWFLSA-N 401.320 3.455 0 40 HGAB Cc1ccc([C@H](O)CN2CCN([C@H](c3ccccc3)c3nccn3C)CC2)c(C)c1 22887491 NXLLLTKHHCAZIL-DNQXCXABSA-N 404.558 3.478 0 40 HGAB Cn1c(CN2CCOCC2)nc2cc(NC(=O)COc3ccc(Cl)cc3)ccc21 26121625 WJFJLNSLVZCLAL-UHFFFAOYSA-N 414.893 3.076 0 40 HGAB Cc1ccc(C)c(OCCCSc2ccc(S(=O)(=O)N3CCOCC3)cn2)c1 32863428 ORXFIWRYXHCFBL-UHFFFAOYSA-N 422.572 3.281 0 40 HGAB COc1ccc(-c2nc(C(=O)NCCCN3C[C@H](C)O[C@@H](C)C3)cs2)cc1OC 32903361 MYJROGVPDJNEID-GJZGRUSLSA-N 419.547 3.056 0 40 HGAB CCOC(=O)c1[nH]c2cc3c(cc2c1NC(=O)CN1CCc2ccccc2C1)OCO3 34847925 LYURDMGWTPAOKT-UHFFFAOYSA-N 421.453 3.070 0 40 HGAB O=C(C1CC1)N1CCc2cc(S(=O)(=O)NCCc3ccc(Cl)cc3)ccc21 34860782 MULOJWDXXPYFTL-UHFFFAOYSA-N 404.919 3.160 0 40 HGAB O=C(NCCOc1ccc(Cl)cc1)C1CCN(C(=O)NCc2ccco2)CC1 40131128 KACNNJBUSKVRQF-UHFFFAOYSA-N 405.882 3.050 0 40 HGAB Cc1ccc(C)c(NC(=O)[C@H]2CC(=O)Nc3nc(Nc4ccccc4)[nH]c(=O)c32)c1 40399240 NLFKERXZZYDOHQ-HNNXBMFYSA-N 403.442 3.195 0 40 HGAB CCN(CC(=O)NCc1ccc(F)cc1)C(=O)c1cc(C2CC2)nc2onc(C)c12 48287244 TWMMQTBLHJENEC-UHFFFAOYSA-N 410.449 3.326 0 40 HGAB Cc1ccc(C)c(-n2ccnc2S(=O)(=O)[C@@H](C)C(=O)N(C)C2CCCCC2)c1 48299802 XQDIXKXYXFTMJY-KRWDZBQOSA-N 403.548 3.442 0 40 HGAB COc1cccc(-n2nnc(C(=O)NCCc3cccs3)c2-c2cccnc2)c1 49003645 MRKVMXYFUFVQQQ-UHFFFAOYSA-N 405.483 3.372 0 40 HGAB COc1ccc(-c2nnc(CC(=O)N3CCN(c4ccccc4Cl)CC3)o2)cc1 49405750 VYRBWUJWJQZWJJ-UHFFFAOYSA-N 412.877 3.290 0 40 HGAB Cc1ccc(-c2csc3ncnc(N4CCC[C@@H](NS(C)(=O)=O)C4)c23)cc1C 52036707 SBJJXVZHNCYQRY-MRXNPFEDSA-N 416.572 3.493 0 40 HGAB COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)c1ccc(Cl)nc1Cl 64906180 VKTSBHIIRAAYOP-UHFFFAOYSA-N 410.257 3.264 0 40 HGAB O=S(=O)(NCC1CCN(c2ccncc2)CC1)c1ccccc1Br 70922271 BSWWMLIPSQADLJ-UHFFFAOYSA-N 410.337 3.039 0 40 HGAB CCCCOc1ccccc1-c1cc(C(=O)N2CCN(c3ncccn3)CC2)[nH]n1 71009449 UYKKBOMGEDIYRT-UHFFFAOYSA-N 406.490 3.008 0 40 HGAB Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)CCc1nc(C2CC2)no1 72292164 AASSOVXWOJBZIU-UHFFFAOYSA-N 421.295 3.048 0 40 HGAB Cc1c(C)n(CCC(=O)N2CCc3nc4ccccc4c(=O)n3CC2)c2ccccc12 72347931 FVZNWKDLNSASON-UHFFFAOYSA-N 414.509 3.443 0 40 HGAB CCn1ncc(C(=O)N2CC=C(n3c(C)nc(=O)c4cc(Cl)ccc43)CC2)c1C 72348287 MXEVZFRUGCVVTR-UHFFFAOYSA-N 411.893 3.270 0 40 HGAB CN(C)C(=O)[C@@]1(Cc2ccc(-c3cccs3)cc2)CN(C(=O)C2CCC2)CCO1 72389246 RUZUUSQGFVCLME-HSZRJFAPSA-N 412.555 3.444 0 40 HGAB CCn1cc(S(=O)(=O)N2CCCC[C@@H]2c2nnc(-c3cccs3)o2)c(C)n1 72390141 ADTAGSCSUSULIQ-CYBMUJFWSA-N 407.521 3.239 0 40 HGAB C[C@H](NC(=O)c1ccccc1NS(=O)(=O)c1cnc(Cl)n1C)c1ccccc1 79106659 FARUQAPCXFILQK-ZDUSSCGKSA-N 418.906 3.365 0 40 HGAB COC(=O)[C@@H](C)NC(=O)[C@@H]1c2ccccc2C(=O)N(Cc2ccccc2)C12CCCC2 95479525 ROEIHJVONRHTHS-UTKZUKDTSA-N 420.509 3.417 0 40 HGAB CC(C)(C)[S@@](=O)CCNC(=O)C[C@](O)(c1nc2ccccc2s1)C(F)(F)F 95958699 UTQUQZXICJUKJI-RKOGDMNLSA-N 422.494 3.100 0 40 HGAB CN1CC(=O)N(c2ccccc2)C[C@@]12CCN(C(=O)c1ccc(C(F)(F)F)cc1)C2 96050239 ALELOEWSBDQFCB-NRFANRHFSA-N 417.431 3.269 0 40 HGAB O=c1cccc2n1C[C@H]1C[C@H]2CN(C(=S)Nc2ccc(Br)cc2)C1 100628899 FQOFHQPANZZZDH-STQMWFEESA-N 404.333 3.427 0 40 HGAB biogenic COc1ccc([C@H](C)NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)cc1 113956669 BGCPPVSVYJBCNS-INIZCTEOSA-N 402.516 3.361 0 40 HGAB CCOc1ccc(N(CCCC(=O)NCc2ccccc2C)S(C)(=O)=O)cc1 113961989 RGKPYEJCIMTVLD-UHFFFAOYSA-N 404.532 3.256 0 40 HGAB O=C(NCc1ccc(F)cc1)[C@@H]1CCCN(S(=O)(=O)Cc2cccc(Cl)c2)C1 113971609 UJEUTLQVOFICJG-QGZVFWFLSA-N 424.925 3.337 0 40 HGAB CC(C)c1ccccc1O[C@@H](C)C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21 216299492 VCQWRCGMBICDKC-INIZCTEOSA-N 416.543 3.417 0 40 HGAB CCOc1ccc(CNC(=O)CCCN2C(=O)c3ccccc3C2=O)cc1OCC 219135366 DLUPZPPYYXXUSP-UHFFFAOYSA-N 410.470 3.177 0 40 HGAB COc1ccc(N([C@H](C)C(=O)Nc2ccc(C)c(C)c2)S(C)(=O)=O)cc1OC 220225433 RYQKIYBNESGGFQ-OAHLLOKOSA-N 406.504 3.114 0 40 HGAB Cc1ccc(SCCNC(=O)[C@H](C)N(c2cccc(F)c2)S(C)(=O)=O)cc1 220468098 FQSRSMASBDTRND-HNNXBMFYSA-N 410.536 3.197 0 40 HGAB CS(=O)(=O)N(CCCC(=O)NCCSc1ccccc1)c1ccccc1F 222651899 LKXUMBWDURGHEK-UHFFFAOYSA-N 410.536 3.280 0 40 HGAB CN(C)S(=O)(=O)c1ccc(CCC(=O)Nc2cc(-c3cccc(F)c3)[nH]n2)cc1 223046313 ANSFYKASKHKPMT-UHFFFAOYSA-N 416.478 3.037 0 40 HGAB CC(C)Sc1nnc(NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2Cl)s1 223308673 OJJZTSZZHXKFHP-UHFFFAOYSA-N 420.969 3.340 0 40 HGAB CCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CCc1ccc2c(c1)OCCO2 223634122 ORACVJFEAAOOJR-SFHVURJKSA-N 410.514 3.252 0 40 HGAB Cc1ccc(N(CC(=O)NCCOc2cccc(C)c2C)S(C)(=O)=O)cc1Cl 223911765 WHQCYTYQEUWZEH-UHFFFAOYSA-N 424.950 3.226 0 40 HGAB COc1ccc(NC(=O)[C@@]2(C)CCN(c3ccc(Cl)cc3)S2(=O)=O)c(OC)c1 225946578 ZSNBUTAQTSVGNX-LJQANCHMSA-N 424.906 3.295 0 40 HGAB Cc1nonc1CNC(=O)[C@@]1(C)CCCN(C(=O)c2cc3c(Cl)cccc3[nH]2)C1 257215181 CPBVAGYMHGOQLW-FQEVSTJZSA-N 415.881 3.071 0 40 HGAB Cc1cccc(Nc2cccc([C@H]3CN(C(=O)Cn4ccnc4C(C)C)CCO3)n2)n1 257224065 FAEFNMRNPVURSZ-LJQANCHMSA-N 420.517 3.449 0 40 HGAB Cc1ccc(Oc2c(F)cccc2O[C@@H]2CCC[C@@H](N(C)CC(N)=O)[C@H]2O)cc1 257309250 UAFJJXAMZIPTKF-DBXWQHBBSA-N 402.466 3.004 0 40 HGAB COc1cccc(N([C@H](C)C(=O)N[C@H](C)c2ccc(C)cc2C)S(C)(=O)=O)c1 260588478 KBBVPYUFKBIKNO-IAGOWNOFSA-N 404.532 3.344 0 40 HGAB CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NC3CCCCC3)C2)cc1C 408558520 RTKCQQPYZSSBQO-KRWDZBQOSA-N 408.564 3.243 0 40 HGAB CCCN(CCC)C(=O)CSc1nnc(CCc2ccccc2)n1CCOC 409208816 AJHOAEZJZNANPM-UHFFFAOYSA-N 404.580 3.450 0 40 HGAB CC(C)[C@H](O)C(C)(C)CNC(=O)c1ccc(C(=O)NCC(C)(C)[C@@H](O)C(C)C)cc1 533158520 CWXLHGDTAUWCOW-PMACEKPBSA-N 420.594 3.232 0 40 HGAB COc1ccc(CN(C)C[C@@]2(O)CCN(Cc3ccc(OCCF)cc3)C2)cc1 585269634 DRTISZXPVMHAJE-QHCPKHFHSA-N 402.510 3.112 0 40 HGAB CC(=O)N1CCN(C2CCC(C)(C)CC2)C[C@@](O)(COc2ccc(F)c(C)c2)C1 585284176 VNGMOGLZANFNRA-HSZRJFAPSA-N 406.542 3.377 0 40 HGAB Cc1cnc(Nc2cccc([C@H]3CN(S(=O)(=O)c4ccccc4)CCO3)n2)s1 643550539 JPMLOENDVXDHFT-QGZVFWFLSA-N 416.528 3.352 0 40 HGAB CC(C)(C)c1ccc(OC[C@H]2CCN(C(=O)c3ccc(N4CCOCC4)cc3)C2)nn1 1888870091 ORHQVHZYZGIBNP-SFHVURJKSA-N 424.545 3.152 0 40 HGAB CCOCCOC(=O)c1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 1745259 XOPGYTOAKXMLQH-UHFFFAOYSA-N 403.431 3.158 0 40 HGAB CCCCOCCCn1c(N)c(C(=O)OCCOC)c2nc3ccccc3nc21 2376877 ZLOCFWCZAXRPDU-UHFFFAOYSA-N 400.479 3.177 0 40 HGAB CN1C(=O)N[C@@H](c2ccc(F)cc2)[C@@H](C(=O)c2cccs2)[C@]1(O)C(F)(F)F 2502278 LWGIRDKQTGACFI-XEZPLFJOSA-N 402.369 3.333 0 40 HGAB CCSc1nnc(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)s1 3517121 WQLSUXYLEGFAFP-UHFFFAOYSA-N 412.562 3.077 0 40 HGAB Cc1ccc(N(C(=O)[C@@H]2CCC(=O)N2)C2(C(=O)NC3CCCC3)CCCCC2)cc1 3626015 ZOHTVVGTYZXDIB-FQEVSTJZSA-N 411.546 3.368 0 40 HGAB COc1ccc([C@@H]2N(c3ccc(Cl)cc3)N=C(C(C)=O)N(C)N2C(C)=O)cc1 3672730 ULDWTJZDCNMQOG-HXUWFJFHSA-N 400.866 3.465 0 40 HGAB CCn1c(CC(=O)Nc2ccc(Cl)cc2)nnc1SCC(=O)NC1CCCC1 4736005 KHRGWWCNODJKNV-UHFFFAOYSA-N 421.954 3.284 0 40 HGAB COc1ccc(NC(=O)CSc2nccn(-c3ccc(F)c(F)c3)c2=O)cc1 4853341 KMDQTVWGLXHUNC-UHFFFAOYSA-N 403.410 3.250 0 40 HGAB Cc1ccc(NC(=O)Cn2c(=O)n(CCc3ccccc3)c(=O)c3ccccc32)cc1 4906942 JXLOMYGAEDTZPP-UHFFFAOYSA-N 413.477 3.353 0 40 HGAB C[C@H](OC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O)C(=O)Nc1ccc2ccccc2c1 5936425 VKCBJPUFEXBECR-CABCVRRESA-N 416.433 3.395 0 40 HGAB COc1cc(C(=O)COC(=O)COc2ccc(C(C)=O)cc2)ccc1OC(F)F 5938309 HPGBQVYXNQYBMM-UHFFFAOYSA-N 408.353 3.304 0 40 HGAB COc1ccccc1N1CCN(C(=O)COc2cc(C)cc3oc(=O)cc(C)c23)CC1 6719231 BBFVYTMVGQSQPC-UHFFFAOYSA-N 422.481 3.146 0 40 HGAB CN1c2ccccc2-c2nc(SCC(=O)Nc3ccccc3)ncc2S1(=O)=O 7007147 VUAVUEFABGQGCE-UHFFFAOYSA-N 412.496 3.013 0 40 HGAB O=C(OCC(=O)N1CCN(c2ccccc2F)CC1)c1cc2ccccc2cc1O 7195929 GGDKGCHYQXZNOO-UHFFFAOYSA-N 408.429 3.190 0 40 HGAB COc1ccccc1CNC(=O)COC(=O)c1c(C)nn(-c2ccccc2)c1Cl 7478729 RRHUBWUMRMANCH-UHFFFAOYSA-N 413.861 3.316 0 40 HGAB CCc1cccc(CC)c1N1C[C@H](C(=O)OCC(=O)Nc2ccc(OC)cc2)CC1=O 8039728 AKBMOLSXZUUGDL-GOSISDBHSA-N 424.497 3.355 0 40 HGAB CC[C@H](C)NC(=O)c1ccc(NC(=O)C[C@H]2SC(N3CCCCC3)=NC2=O)cc1 8315535 YKMSOWDHSZAFSH-WMLDXEAASA-N 416.547 3.027 0 40 HGAB CCn1cc(C(=O)OCc2nc(-c3ccccc3C)no2)c(=O)c2ccc(C)nc21 8341717 BOZZDMZYVCPQKP-UHFFFAOYSA-N 404.426 3.440 0 40 HGAB Cn1nc(C2CCCC2)cc1[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)COc1ccccc1 8635452 AZWLJSITJHOIOT-VWPQPMDRSA-N 422.573 3.451 0 40 HGAB biogenic,in-vitro Fc1cccc(-n2c(SCc3ccc4c(c3)OCO4)nnc2N2CCOCC2)c1 8727243 JKWPALVLGBSGEK-UHFFFAOYSA-N 414.462 3.264 0 40 HGAB COCCn1cc(C(=O)Nc2ccc(F)cc2)c2nn(-c3ccccc3)c(=O)c-2c1 9661592 ZSSYOBLAYHTUHY-UHFFFAOYSA-N 406.417 3.177 0 40 HGAB COC(=O)[C@@H]1CN(C(=O)Cc2csc(-c3ccc(OC)cc3)n2)c2ccccc2O1 9742575 NMKOKHPTNNBVOQ-IBGZPJMESA-N 424.478 3.328 0 40 HGAB O=C(Cn1nnc2ccccc2c1=O)N[C@H](c1ccc2c(c1)CCC2)c1cccs1 9986446 DWCRGIOJMFMFQK-JOCHJYFZSA-N 416.506 3.248 0 40 HGAB O=C(CN1C(=O)NC2(CCCCC2)C1=O)Nc1ccc(-n2cnc3ccccc32)cc1 10427308 XKYTYVDCXHUHGQ-UHFFFAOYSA-N 417.469 3.219 0 40 HGAB Cc1ccc(N2CCCC2=O)cc1S(=O)(=O)Nc1ccc(N2CCCC2=O)cc1 12117125 WCAKPUAIHZUGMF-UHFFFAOYSA-N 413.499 3.049 0 40 HGAB Cc1nccn1[C@H](C)CC(=O)N1CCC[C@H](c2nc3ccc(F)cc3cc2C(N)=O)C1 12221635 LXAHGAHMBAAJOG-ZBFHGGJFSA-N 423.492 3.335 0 40 HGAB CCn1cc(S(=O)(=O)NCC[C@]2(c3ccccc3OC)CCOC(C)(C)C2)cn1 12362155 MBOKYCMFHAMLPA-NRFANRHFSA-N 421.563 3.107 0 40 HGAB CCN1CCN(c2oc(-c3cccs3)nc2S(=O)(=O)c2ccccc2)CC1 12419573 IUOYCEZPBKOWBL-UHFFFAOYSA-N 403.529 3.378 0 40 HGAB Cc1ccc(-c2csc3ncn(CCC(=O)NCCN4CCCC4)c(=O)c23)cc1 12914458 CNIJSVCAOWYRMT-UHFFFAOYSA-N 410.543 3.036 0 40 HGAB Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N2CCCCC2)cc1C(=O)O 13262254 GGFGDXKIXJGNED-UHFFFAOYSA-N 402.472 3.120 0 40 HGAB CCOC(=O)c1cccc(NC(=O)c2ccc(N(C)S(=O)(=O)CC)cc2)c1C 13670099 OGVKRJGSMRFCLY-UHFFFAOYSA-N 404.488 3.210 0 40 HGAB CC[C@H](C(=O)NCCSCc1ccco1)N(c1ccc(C)cc1)S(C)(=O)=O 13713479 FYFVLPMCEZGEDD-GOSISDBHSA-N 410.561 3.182 0 40 HGAB O=C(N[C@@H]1CCN(Cc2ccccc2)C1)c1cccc(I)c1 14602427 ZTINVCNTDPUGFZ-QGZVFWFLSA-N 406.267 3.296 0 40 HGAB COc1ccc(NC(=O)C2CCC(CNC(=O)[C@H]3Cc4ccccc4CN3)CC2)cc1 16021878 SRGJAYPBAXKOSF-QPFKGPCDSA-N 421.541 3.271 0 40 HGAB CN(C)CCCNC1=Nc2ccccc2C(NCCCN(C)C)=Nc2ccccc21 16955983 RIHBETQNEGKMAX-UHFFFAOYSA-N 406.578 3.239 0 40 HGAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)cc1C 17328159 BSOSSLPKCOYKKN-IRXDYDNUSA-N 402.516 3.354 0 40 HGAB Cc1cccc(NC(=O)c2cccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)c2)c1C 18177493 BTNNBAUXRJSSRE-IYBDPMFKSA-N 402.516 3.354 0 40 HGAB Cc1cc2nc([C@@H]3CCCN3C(=O)C[C@]3(C)C(=O)N=C4C=CC=CN43)[nH]c2cc1C 19125327 AUOAMZHKFUPMDC-FDDCHVKYSA-N 403.486 3.316 0 40 HGAB Cc1ccc2c(c1)c(=O)cc(C(F)(F)F)n2CCNC(=O)c1nn(C)cc1Cl 19219960 NBGJUUOHYKIPLA-UHFFFAOYSA-N 412.799 3.146 0 40 HGAB OCCN[C@@H]1c2cc(-c3ccc(F)cc3)cnc2Sc2nc(-c3cccnc3)nn21 19341267 YTTKYQLLBYMWCU-IBGZPJMESA-N 420.473 3.135 0 40 HGAB CSCC[C@H](C(=O)Nc1nc(-c2ccc3c(c2)C[C@@H](C)O3)cs1)n1cnnn1 19498232 KDJCRPAHLPALBX-IAQYHMDHSA-N 416.532 3.053 0 40 HGAB COc1ncccc1-c1cc(=O)[nH]c([C@@H]2CCN(C(=O)Cc3cccc(Cl)c3)C2)n1 19594677 JFLRELXQOZUYJX-OAHLLOKOSA-N 424.888 3.053 0 40 HGAB Cc1c(C(=O)N2[C@@H](c3ccc(C(F)(F)F)cc3)C[C@@H]3NC(=O)CCC[C@H]32)cnn1C 19713805 FNHPBXUQEBPIFF-RCCFBDPRSA-N 420.435 3.372 0 40 HGAB CCN(CC(=O)NC1CCCCCC1)S(=O)(=O)c1ccc(OC)c(Cl)c1 19930046 ZIFZSHLFRDWLID-UHFFFAOYSA-N 402.944 3.198 0 40 HGAB CCOc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3cc(C)ccc3C)CC2=O)cc1 21094573 WXXPBVQGXOORCA-QGZVFWFLSA-N 410.470 3.237 0 40 HGAB C[C@@H](C(=O)Nc1ccc2ccccc2c1)N1CCN(CC(=O)N2CCCCCC2)CC1 22788584 WOLSOJHDSSINKM-FQEVSTJZSA-N 422.573 3.187 0 40 HGAB CC(=O)c1cc(CCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)oc1C 24281213 FUAIFGXEMKIBAR-UHFFFAOYSA-N 404.488 3.146 0 40 HGAB CCCN(CCn1nc2ccccn2c1=O)CC(=O)Nc1cc(Cl)ccc1Cl 26900821 FQMBVNZJCOGTTK-UHFFFAOYSA-N 422.316 3.154 0 40 HGAB Cc1[nH]c2ccc(Br)cc2c1CC(=O)NCc1ccc(C(N)=O)cc1 32913865 NXJCANXBDMXESH-UHFFFAOYSA-N 400.276 3.197 0 40 HGAB COc1cccc(CC(=O)OCC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)c1 40057269 LEPWRWGYFIPWLR-UHFFFAOYSA-N 405.454 3.483 0 40 HGAB Cc1ccc(NC(=O)N(C)C[C@@H]2CCCO2)cc1NC(=O)N(C)C[C@@H]1CCCO1 40158472 GZOQIBZNEDREDH-ROUUACIJSA-N 404.511 3.280 0 40 HGAB CCCCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)Nc1nc(C)c(C)s1 40287510 BCPQTRULGUJUHH-OAQYLSRUSA-N 412.515 3.478 0 40 HGAB COc1cc(F)ccc1-c1ccc(=O)n(CC(=O)N[C@H](C)CCc2ccccc2)n1 44922026 QOWBWKJQMRTUCB-MRXNPFEDSA-N 409.461 3.196 0 40 HGAB O=C(Nc1cccnc1-n1cccn1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 48196495 HBTBVHFPACPBOD-UHFFFAOYSA-N 417.395 3.035 0 40 HGAB CC[C@]1(c2ccc(NC(=O)c3ccccc3OCCOC)cc2)CCC(=O)NC1=O 56165334 ZEBWWMVOQUQXTR-HSZRJFAPSA-N 410.470 3.049 0 40 HGAB COc1ccccc1N1CCN([C@H](c2nnnn2Cc2ccccc2)C(C)C)CC1 57670661 KHLCQOWCXDVUOV-QFIPXVFZSA-N 406.534 3.249 0 40 HGAB COc1cccc(-c2cn(C)c3c(=O)n(CC(=O)N(C)c4ccccc4)cnc23)c1 67235551 DTCUEODYEUAOGO-UHFFFAOYSA-N 402.454 3.074 0 40 HGAB CN1CC[C@@]2(CCC1=O)C[C@H](NC(=O)c1ccc3c(c1)OCO3)c1ccccc1O2 72327751 VRPJOPBZRYVUOD-SBUREZEXSA-N 408.454 3.050 0 40 HGAB COc1ccccc1CN1C(=O)Cc2c(C)nc([C@@H]3CCCN3C(=O)C(C)C)nc21 72371886 OQBKIOXQPGMSJB-SFHVURJKSA-N 408.502 3.202 0 40 HGAB CC[C@H](C(=O)N1CCC(c2ccc(Nc3ncccc3C)cn2)CC1)N1CCOCC1 72374358 VDNGANSQENJPCF-JOCHJYFZSA-N 423.561 3.345 0 40 HGAB CC(C)n1ncc2cc(S(=O)(=O)NC[C@H](c3ccc(F)cc3)N(C)C)ccc21 79111044 UEHFGOQJODFKNN-HXUWFJFHSA-N 404.511 3.338 0 40 HGAB CCOc1ccc(C(=O)N2CCN(c3cc(Nc4ccccn4)nc(C)n3)CC2)cc1 90607921 KWZXFSLKBJMYEN-UHFFFAOYSA-N 418.501 3.285 0 40 HGAB Cc1csc(-c2cccc(CNC(=O)[C@@H](C)n3nnc4ccccc4c3=O)c2)n1 95475711 ZJQGPFOYFCACEM-CQSZACIVSA-N 405.483 3.101 0 40 HGAB O=C(c1cc(-c2ccccc2)n[nH]1)N1CC[C@H](S(=O)(=O)c2ccc(Cl)cc2)C1 96103474 CKPRGUWFUCYSIQ-KRWDZBQOSA-N 415.902 3.419 0 40 HGAB CC[C@@](CNC(=O)Cc1ccc(S(=O)(=O)C(C)C)cc1)(OC)c1ccccc1 96123730 XCVLKPCHXFODAL-QFIPXVFZSA-N 403.544 3.479 0 40 HGAB Cc1cc(N2C[C@]34C=C[C@@H](O3)[C@H](C(=O)Nc3ccc(Cl)c(Cl)c3)[C@@H]4C2=O)no1 101451493 NYEDVTVEGVOBGG-DEWZPKMOSA-N 420.252 3.215 0 40 HGAB O=C(c1cccc(Cl)c1)N1CCN(CCNc2cc(=O)oc3ccccc23)CC1 101660532 APYUVHGDKBQIAC-UHFFFAOYSA-N 411.889 3.316 0 40 HGAB O=C(O)[C@H]1[C@H]2C=C[C@@H](CC2)[C@H]1C(=O)NCCCn1nc(C(F)(F)F)cc1C1CC1 102403806 RGAGQKMRRLTDJO-CLROSIBMSA-N 411.424 3.199 0 40 HGAB CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN([C@H](C)C(=O)NCc2ccc(C)cc2)C1 106920682 YAYOMZWHQGTVCH-SJLPKXTDSA-N 413.484 3.123 0 40 HGAB COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(C)cn1 223680117 DRYYFWNSUABZKF-RTWAWAEBSA-N 421.526 3.111 0 40 HGAB COCc1cccc(NC(=O)CN(c2ccc(F)c(Cl)c2)S(C)(=O)=O)c1 223874071 MEPJMUGEEDIQLB-UHFFFAOYSA-N 400.859 3.030 0 40 HGAB CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)COc1ccc(Br)c(C)c1 225203578 IWBQCQMAHNFFDA-HNNXBMFYSA-N 419.319 3.300 0 40 HGAB CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCCc1ccc(F)cc1 225694998 CKYIHLVBNAZOGB-HXUWFJFHSA-N 422.522 3.128 0 40 HGAB CCCn1c(=O)sc2cc(S(=O)(=O)NCCCc3ccccc3OC)ccc21 225732035 UUQLWODUERULPZ-UHFFFAOYSA-N 420.556 3.393 0 40 HGAB CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H](C(=O)NCC(C)(C)C)C1 260717986 QJOUITPETVEXEJ-AWEZNQCLSA-N 416.971 3.302 0 40 HGAB CCOc1ccccc1N(CC(=O)N[C@H](C)c1ccc(CC)cc1)S(C)(=O)=O 260808161 GFBLYHUEKXPCMN-MRXNPFEDSA-N 404.532 3.291 0 40 HGAB O=C(NCC1CCCCC1)C1CCN(C2=NO[C@H]3CN(Cc4ccccc4)C[C@H]23)CC1 306125828 DDDYMHSPRXAZRJ-GOTSBHOMSA-N 424.589 3.239 0 40 HGAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2cccc(SC)c2)cc1Cl 408557285 GIEWPVGOFDMEIL-LLVKDONJSA-N 414.936 3.376 0 40 HGAB COc1ccc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccccc2)cc1 408612787 YTJTZOPIDNTECC-OAQYLSRUSA-N 410.495 3.224 0 40 HGAB CS(=O)(=O)N(CC(=O)Nc1ccccc1C(F)(F)F)c1ccc(F)c(F)c1 408681093 OWUAGJQVOVCTGC-UHFFFAOYSA-N 408.348 3.388 0 40 HGAB COc1cccc(CNC(=O)[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2)c1 408707366 JLBJSFFVTUSCIH-CQSZACIVSA-N 403.276 3.127 0 40 HGAB Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccn2)Cc2cccc(C)c2)cc1 409062755 AHSQQFYWUVAXPB-UHFFFAOYSA-N 423.538 3.206 0 40 HGAB COC(=O)c1cc(NC(=O)CN(c2ccc(C)c(C)c2)S(C)(=O)=O)ccc1Cl 409251134 OPVHVDLDPAZGCS-UHFFFAOYSA-N 424.906 3.148 0 40 HGAB COc1cc2c(cc1OC)[C@H](CC(=O)O)N(C(=O)c1ccc3ccccc3n1)CC2 558146166 GXDPTXWUMYMOMO-IBGZPJMESA-N 406.438 3.466 0 40 HGAB COc1cc(OC)cc(C(=O)N2C[C@@H]3CN(c4ccc(C(F)(F)F)cn4)C[C@H]3C2)c1 1888868580 JUUOKZHFLVPTCN-GJZGRUSLSA-N 421.419 3.326 0 40 HGAB COCCn1cnc2c(N3CCN(c4nc5c(C)c(C)ccc5s4)CC3)ncnc21 1888944373 PWROFJQDBXDTMN-UHFFFAOYSA-N 423.546 3.026 0 40 HGAB CSCC[C@H](NC(=O)CCc1c(C)c2cc3c(C)coc3cc2oc1=O)C(=O)O 2153722 CQFIPENQQSWWCU-INIZCTEOSA-N 417.483 3.411 0 40 HGAB biogenic C[C@@H](OC(=O)CNC(=O)c1ccccc1F)C(=O)Nc1cccc(C(F)(F)F)c1 2617173 MLQJVPFHYDSMGR-LLVKDONJSA-N 412.339 3.145 0 40 HGAB CN(Cc1ccccc1)C(=O)COC(=O)c1ccc(I)cc1 3253694 YZPOLXFWLCGZNT-UHFFFAOYSA-N 409.223 3.107 0 40 HGAB CN(Cc1ccccc1)C(=O)CN1C(=O)N[C@@](C)(c2ccc(Cl)cc2Cl)C1=O 3595127 CBXXREMZUSCAOA-FQEVSTJZSA-N 420.296 3.419 0 40 HGAB COc1ccc([C@H](C(=O)Nc2ccc(C(C)C)cc2)N(C)C(=O)CNC(C)=O)cc1 3615486 WEWPTVSEBWYTKF-JOCHJYFZSA-N 411.502 3.093 0 40 HGAB Cc1cccc(Oc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2cccc(Cl)c2)c1 3641829 UZBFOTVQHNBGAA-UHFFFAOYSA-N 410.861 3.236 0 40 HGAB C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@H](CN4CCC(N5CCCCC5)CC4)[C@H]3[C@@H](O)[C@@]21C 4062991 GQWCDWWREXSFDW-DHRDOYSISA-N 416.606 3.222 0 40 HGAB biogenic CCOC(=O)N1CCc2c(sc(NC(=O)c3ccc(OCC)cc3)c2C(N)=O)C1 4274504 DTASEKAXFUDTTO-UHFFFAOYSA-N 417.487 3.013 0 40 HGAB COc1cccc(NC(=O)C(=O)NC[C@@H](c2ccco2)N2CCc3ccccc32)c1 4305289 LMOKHSHGPYNASB-FQEVSTJZSA-N 405.454 3.147 0 40 HGAB CCc1ccccc1N1CCN(S(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)CC1 4661337 DWKVGZBHYAUYAJ-AVRDEDQJSA-N 404.576 3.096 0 40 HGAB CCCc1nnc(NC(=O)CCC(=O)N2CCN(c3ccc(Cl)cc3)CC2)s1 5155565 IAKGFPQAADAJAC-UHFFFAOYSA-N 421.954 3.212 0 40 HGAB CN(c1cccc(Cl)c1)S(=O)(=O)c1cccc(C(=O)NCc2ccncc2)c1 5937927 ORCMYRKLFFQVAZ-UHFFFAOYSA-N 415.902 3.490 0 40 HGAB COc1cc(C=O)ccc1OCC(=O)Nc1cccc(I)c1 6128324 JXQODPLKZYRGBJ-UHFFFAOYSA-N 411.195 3.130 0 40 HGAB CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)N1CCN(c2ccc(F)cc2)CC1 6200833 QTZBOTVTUAJUKG-FQEVSTJZSA-N 419.447 3.207 0 40 HGAB COc1ccccc1C1=NN=C(Nc2cc(S(=O)(=O)N(C)C)ccc2C)SC1 8746888 PSQLQLYBHZVFAL-UHFFFAOYSA-N 418.544 3.173 0 40 HGAB CCOc1ccccc1-n1nnnc1SCc1nc2c(oc3ccccc32)c(=O)[nH]1 9174313 XIQHKZYUNPKSCS-UHFFFAOYSA-N 420.454 3.336 0 40 HGAB COc1ccc([C@H]2Nn3c(C)nnc3S[C@@H]2C(=O)N2CCCCCC2)cc1Cl 9238640 UGCLOMRSUCRECM-SJORKVTESA-N 421.954 3.410 0 40 HGAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)CSc1nc2cc(Cl)ccc2[nH]1 9337959 MAYNTXPGQRFLQO-MRXNPFEDSA-N 403.891 3.209 0 40 HGAB CC(=O)N[C@@H](CC(=O)Nc1ccc2nc(N3CCOCC3)sc2c1)c1ccccc1 9816644 DPRQFNDXINQSLA-IBGZPJMESA-N 424.526 3.339 0 40 HGAB O=C(Nc1nc(-c2ccccn2)cs1)[C@@H]1CCCN1S(=O)(=O)c1cccs1 10186994 VXBKXTIEZBHGDR-AWEZNQCLSA-N 420.541 3.058 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)NCCc1cccs1 10216714 JJHPWIBGHGULJB-UHFFFAOYSA-N 422.572 3.294 0 40 HGAB COc1ccc(-c2cc(C(=O)O[C@@H](C)C(=O)N3CCOCC3)c3ccccc3n2)cc1 11397904 PYVBPVYHDZNFPQ-INIZCTEOSA-N 420.465 3.315 0 40 HGAB Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NCC(F)(F)F)cc2)cc1C 12934630 IYYQRQJAXBIIRD-UHFFFAOYSA-N 414.449 3.416 0 40 HGAB CCN(C(=O)Cn1c(=O)n(Cc2ccco2)c(=O)c2sccc21)c1cccc(C)c1 13533046 SNXWOJPWLSWJJD-UHFFFAOYSA-N 423.494 3.228 0 40 HGAB O=C(CCS(=O)(=O)c1ccccc1)Nc1nnc(Cc2ccc(Cl)s2)o1 13653838 LIQYTCWHRJSGBU-UHFFFAOYSA-N 411.892 3.178 0 40 HGAB CC[C@@H](C(=O)Nc1ccc(C(=O)OC)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O 13712083 RFCORPFVJXKIGI-KRWDZBQOSA-N 424.906 3.310 0 40 HGAB O=C(CCc1csc(NC(=O)c2ccc[nH]c2=O)n1)Nc1cccc(Cl)c1 16851223 NHVXTTYHKCKMQD-UHFFFAOYSA-N 402.863 3.308 0 40 HGAB COc1cc(C)c(C)cc1S(=O)(=O)NCCOc1ccc(-c2ccccc2)nn1 17010179 GBYUUDDPXCWDSD-UHFFFAOYSA-N 413.499 3.126 0 40 HGAB Cc1ccc(NC(=O)N2CCC3(CC2)NC(=O)N(CCc2ccccc2)C3=O)cc1F 17121126 WLXJDNOKUXNZTP-UHFFFAOYSA-N 424.476 3.295 0 40 HGAB CS(=O)(=O)NCCc1ccc(C(=O)OCc2ccccc2C(F)(F)F)cc1 17260925 NXHXCHMNYXNSPS-UHFFFAOYSA-N 401.406 3.154 0 40 HGAB O=C(Nc1ccccc1N1CCCC1)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 18839534 PRENLDQUNYEQPD-INIZCTEOSA-N 407.470 3.050 0 40 HGAB COc1cc(C(=O)N2CCC[C@H]([C@@H]3C[C@H](C(F)(F)F)n4nc(C)cc4N3)C2)ccn1 19128294 SEJFDYFLYGMZAQ-HRCADAONSA-N 423.439 3.435 0 40 HGAB O=C(C1CCC1)N1CCC[C@@H](c2cc3nc4c(c(O)n3n2)CN(C2CCCC2)CC4)C1 19292126 UFVRTOSCHIVBKE-QGZVFWFLSA-N 423.561 3.242 0 40 HGAB CCc1cc(C(F)(F)F)c2c([C@H]3CCCN(C(=O)[C@H](C)n4cncn4)C3)noc2n1 19521934 VDHWGMLKNBOHFW-RYUDHWBXSA-N 422.411 3.363 0 40 HGAB CCNC(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)CCN(CC2=CCCOC2)C1 19529115 HMPNWFYTTLDEKO-VWLOTQADSA-N 405.542 3.466 0 40 HGAB CCOCCCNC(=O)CN1N=C(c2ccccc2)Cn2c(cc3sccc32)C1=O 19531005 DXDGTAQSYGLPMK-UHFFFAOYSA-N 424.526 3.106 0 40 HGAB COc1ccc(CC(=O)N[C@@H](C)c2nc3cc(-c4ccc(OC)cc4)ncn3n2)cc1 19574446 QKKROJDWPQXLHY-HNNXBMFYSA-N 417.469 3.228 0 40 HGAB Cc1cccc(CN2CCC(N3C(=O)NC4(CCN(CC(C)C)CC4)C3=O)CC2)c1 19701372 GQGMBOQBTVCODJ-UHFFFAOYSA-N 412.578 3.002 0 40 HGAB Cc1nc([C@@H]2CCCN(C(=O)Cc3ccccn3)C2)ncc1C(=O)Nc1ccccc1 19765310 RUXSFLHUFSWPIH-GOSISDBHSA-N 415.497 3.381 0 40 HGAB COc1ccccc1C(=O)N[C@@]1(C(F)(F)F)N=C(c2ccccc2)N(C(C)C)C1=O 20650181 URVGEAVVYDSQQO-FQEVSTJZSA-N 419.403 3.381 0 40 HGAB CCN1CCC[C@@H]1CNCc1ccc(Oc2nnnn2-c2ccccc2)c(OC)c1 22935454 MEKDXSJIQPXHIP-LJQANCHMSA-N 408.506 3.037 0 40 HGAB COc1cccc(N2C[C@@H](C(=O)Nc3nc4ccc(NC(C)=O)cc4s3)CC2=O)c1 24716195 VKOCKRFKCPXWBI-ZDUSSCGKSA-N 424.482 3.255 0 40 HGAB CC(C)(C)c1ccccc1OC[C@H](O)CN1CCN(Cc2cn3ccccc3n2)CC1 25057875 FPAWFTSSJPFYCF-OAQYLSRUSA-N 422.573 3.189 0 40 HGAB CCOc1c(Br)cc(Cl)cc1NCC(=O)NC(=O)NCC(C)C 25070604 LAEIYKMMZKGSRD-UHFFFAOYSA-N 406.708 3.395 0 40 HGAB CC1=NN(c2ccccc2)C(=O)[C@@]12Cc1ccccc1N1CCN(c3ncccn3)C[C@@H]12 25184366 SPBFVEZKVYERER-RDGATRHJSA-N 424.508 3.137 0 40 HGAB COc1ccc(OC)c(-n2cnc3cc(C(=O)NCc4cccs4)ccc3c2=O)c1 32095226 NTSRZBDDGZZWBW-UHFFFAOYSA-N 421.478 3.394 0 40 HGAB CC(C)[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H](c1ccc(F)cc1)c1nccn1C 32493670 GUYQDEAIQQUJPH-PMACEKPBSA-N 408.477 3.219 0 40 HGAB CN(Cc1ccc2c(c1)OCO2)C(=O)[C@@H](Cc1ccccc1)NC(=O)c1cccs1 32722705 FIOKDHLEGUMRJG-GOSISDBHSA-N 422.506 3.477 0 40 HGAB Cc1ccc(NC(=O)[C@H](C)N2CCC(C(=O)N3CCCC3)CC2)c(Br)c1 32858103 LILUHIHNFHIRKY-HNNXBMFYSA-N 422.367 3.419 0 40 HGAB CCCOc1ccc2ccccc2c1CN(C)S(=O)(=O)N1C[C@H](C)O[C@H](C)C1 32895689 MZENNGFANOQIJQ-CALCHBBNSA-N 406.548 3.414 0 40 HGAB CC(=O)[C@@H]1[C@H](c2cccc(OCc3ccccc3)c2)NC(=O)N[C@]1(O)C(F)(F)F 35025980 CGDZKQMYIUEJMC-ZIFCJYIRSA-N 408.376 3.076 0 40 HGAB O=c1c2nc(N3CCOCC3)sc2c(-c2ccco2)nn1Cc1ccc(F)cc1 38489279 ZBSPGXGGJYQRSK-UHFFFAOYSA-N 412.446 3.137 0 40 HGAB COc1cccc([C@@H](NC(=O)NCc2cnn(-c3ccccc3)c2)c2nccn2C)c1 40071900 IACHWTVFFKLPOT-OAQYLSRUSA-N 416.485 3.203 0 40 HGAB CC(C)c1ccc(OCCOC[C@@H](O)CN2CCN(Cc3ccccc3)CC2)cc1 40373306 ZTBDWELRIPVKSV-DEOSSOPVSA-N 412.574 3.384 0 40 HGAB CN(C(=O)c1ccccc1-c1ncc(-c2ccccc2F)o1)[C@H]1CCS(=O)(=O)C1 44007544 SSHPGSZAHGZUDE-AWEZNQCLSA-N 414.458 3.407 0 40 HGAB CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2CN(C)c2ccccc2)cc1 58107229 PGHRMDHZBFJFKV-IBGZPJMESA-N 402.516 3.153 0 40 HGAB COCCOc1ccc([C@@H](C)NC(=O)NCc2ccc([C@@H](C)O)cc2)cc1OC 58214025 ACLYSZOEXWBVGH-HZPDHXFCSA-N 402.491 3.334 0 40 HGAB O=C(CN1CCC(Cc2cc(Nc3cnccn3)ncn2)CC1)Nc1ccccc1F 72383426 ALKWPEGUEWYRDB-UHFFFAOYSA-N 421.480 3.043 0 40 HGAB C[C@@H](OC(=O)[C@H]1SCCc2ccccc21)C(=O)c1ccc(NS(C)(=O)=O)cc1 78951642 VKMLINHDBJABKC-YJYMSZOUSA-N 419.524 3.203 0 40 HGAB CC(C)(C)NC(=O)c1ccc(C(=O)N2CCC(C(=O)O)(c3ccccc3)CC2)cc1 95969545 FISPWUDPHQWVLT-UHFFFAOYSA-N 408.498 3.474 0 40 HGAB O=C(NCC1CCN(C(=O)c2cccnc2)CC1)c1cc(Br)cs1 96120513 OPAISXJLPKNASC-UHFFFAOYSA-N 408.321 3.188 0 40 HGAB O=C(c1cccnc1)N1CC[C@@]2(C1)c1ccccc1S(=O)(=O)N2Cc1ccccc1 96143104 TUVUAOWQKLVTKG-HSZRJFAPSA-N 419.506 3.028 0 40 HGAB O=C(COC(=O)C1CCC(N2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)CC1)c1ccccc1 102079700 PQWUGLKIHZZQEC-ROXCPTOLSA-N 409.482 3.002 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)CC2)cc1 105871061 OLIFGTDZBJVJSZ-JQZBISMTSA-N 420.575 3.037 0 40 HGAB CC(=O)Nc1ccc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc3ccccc3c2)cc1 105937432 ATMXGQLNVNADMP-CQSZACIVSA-N 411.483 3.104 0 40 HGAB Cc1cccc(NC(=O)CCCN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)c1C 113964889 ALPVAXOQLAOIFE-UHFFFAOYSA-N 418.515 3.260 0 40 HGAB C[C@]1(C(=O)NCCOc2ccc(-c3ccccc3)cc2)CC(=O)N2C=CC=CC2=N1 141549937 NIGUKIUKQDFIJN-XMMPIXPASA-N 401.466 3.322 0 40 HGAB O=C(CSC(=S)N1CCCC1)OC1CCN(C(=O)Nc2ccccc2)CC1 215746472 DUYSMUJTGOXVSB-UHFFFAOYSA-N 407.561 3.340 0 40 HGAB COc1ccc(-c2noc(CN(C)C(=O)c3cccc(N4CCCC4=O)c3)n2)cc1 219217541 VURIHOAXLVWTSW-UHFFFAOYSA-N 406.442 3.144 0 40 HGAB COC(=O)c1ccc(Cl)c(NC(=O)CCCN(C)S(=O)(=O)c2ccccc2)c1 219717693 BNFBUYKTPUCZLF-UHFFFAOYSA-N 424.906 3.166 0 40 HGAB CCCc1ccc(OCCNC(=O)[C@@H](C)N(c2ccc(C)cc2)S(C)(=O)=O)cc1 223890047 SFDMIRQCDNJHFV-GOSISDBHSA-N 418.559 3.297 0 40 HGAB Cc1cc(C)cc(OCCNC(=O)CCCN(c2ccccc2F)S(C)(=O)=O)c1 224104286 WNKQRMNFZHUINQ-UHFFFAOYSA-N 422.522 3.184 0 40 HGAB CCC[C@H](C)NC(=O)c1ccc(CN(C)S(=O)(=O)c2ccc(OC)cc2)cc1 224440220 BSSXOQYDCRYSHT-INIZCTEOSA-N 404.532 3.434 0 40 HGAB CCCc1ccc(OCCNS(=O)(=O)c2ccc3c(c2)CCN3C(=O)CC)cc1 225196479 OTINDIRMWCVQNI-UHFFFAOYSA-N 416.543 3.296 0 40 HGAB COc1cccc(-c2cc(C(=O)N[C@@H](c3cccnc3)C3CCOCC3)n(C)n2)c1 225621819 ORTLAPKJHFRDNK-JOCHJYFZSA-N 406.486 3.388 0 40 HGAB FC(F)(F)c1cc(N2Cc3ccccc3C2)nc(NC(=S)NC[C@H]2CCCO2)n1 225910258 YZFAMUZUXVWVFG-CQSZACIVSA-N 423.464 3.481 0 40 HGAB COc1ccc(C2=NN(C3=NC(=O)[C@H](CC(=O)O)S3)[C@H](c3ccccc3)C2)cc1 252493911 NGHDDHMVLIPUQN-ROUUACIJSA-N 409.467 3.319 0 40 HGAB NC(=O)C[C@]1(COc2ccc(F)cc2)CCCN(C(=O)c2c(F)cccc2F)C1 257255865 KJFFDLUFQBWVAF-OAQYLSRUSA-N 406.404 3.281 0 40 HGAB CC(C)n1cc2c(n1)C1(CCN(c3ncccn3)CC1)CN(C(=O)c1ccoc1)C2 306123700 AUDKXBLOOCAAJC-UHFFFAOYSA-N 406.490 3.041 0 40 HGAB COCC(=O)N1Cc2sc(C(C)C)nc2C2(CCN(Cc3cccnc3)CC2)C1 306139045 SNYHXZQUYXVBCE-UHFFFAOYSA-N 414.575 3.184 0 40 HGAB CCc1nnc(SCc2ccccc2)n1NC(=S)NC(=O)c1cccs1 408619717 HATILBRIARDCQM-UHFFFAOYSA-N 403.558 3.453 0 40 HGAB CN1CCN(c2ccc(NC(=S)NC(=O)Cc3ccccc3)cc2Cl)CC1 408628475 UEQLDBNEAGVMHT-UHFFFAOYSA-N 402.951 3.148 0 40 HGAB Cc1cccc(CNC(=O)C(=O)Nc2ccccc2C(=O)NCc2ccccc2)c1 408709820 XKYDHNLEAYGOKU-UHFFFAOYSA-N 401.466 3.180 0 40 HGAB Cc1ccc(C(=O)N[C@@H]2C(=O)N/[N+](=C\c3ccc(F)cc3)[C@H]2c2ccc(C)cc2)cc1 409071074 OHFARTPJQPCRIF-WAUWHALJSA-O 416.476 3.459 0 40 HGAB O=S1(=O)CC[C@H](CNC(=S)Nc2nc(-c3ccc(Cl)cc3)cs2)C1 575422362 BMLOUEVWKQCRMD-SNVBAGLBSA-N 401.966 3.185 0 40 HGAB COCCCn1c(C)cc(=O)c([C@H](CC(=O)OC)c2ccc3ncccc3c2)c1O 1547212409 MBMKQFXMSHHZQA-GOSISDBHSA-N 410.470 3.142 0 40 HGAB O=C(C[C@@H]1OC[C@H]2CN(Cc3cccc(C(F)(F)F)c3)CC[C@@H]12)NCc1ccon1 1565553203 NYIYMCQYKULGFK-LZQZEXGQSA-N 423.435 3.237 0 40 HGAB O=C(NCc1nnc2n1CC[C@@H](C(F)(F)F)C2)c1ncoc1-c1ccc(F)cc1 1638219542 OCOVPKPPCRUKJP-LLVKDONJSA-N 409.343 3.127 0 40 HGAB CCC(CC)NC(=O)[C@H]1C[C@]2(CO1)CN(Cc1cccc(C(F)(F)F)c1)CCO2 2056225064 AGUALROGFFEIFR-UYAOXDASSA-N 414.468 3.370 0 40 HGAB C[C@@]12NC(=S)N[C@H](c3cc(Br)ccc3O1)[C@@H]2C(=O)Nc1ccccc1 689356 TWSWFATZOVQBPS-IIDMSEBBSA-N 418.316 3.331 0 40 HGAB O=C(N[C@]1(C(F)(F)F)NC(=O)N(c2ccc(F)c(Cl)c2)C1=O)c1ccccc1 2387450 OCOKTGIGXXFNFX-INIZCTEOSA-N 415.730 3.224 0 40 HGAB Cn1c(SCC(=O)Nc2ccc(F)cc2F)nc2c([nH]c3ccccc32)c1=O 2720568 UMRTYGVPFJGCJB-UHFFFAOYSA-N 400.410 3.424 0 40 HGAB O=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)Nc1nc2c(s1)CCCC2 3431222 VGUPKMONIYFBLG-UHFFFAOYSA-N 411.574 3.049 0 40 HGAB Cc1ccc(C(=O)Nc2ccccc2C(C)C)cc1S(=O)(=O)N1CCOCC1 3561257 JNWNAQGIFJDBLF-UHFFFAOYSA-N 402.516 3.392 0 40 HGAB Cc1coc2c(C)c3oc(=O)c(CC(=O)NCCCN4CCCC4=O)c(C)c3cc12 4084392 JHGJFDXSUQOABK-UHFFFAOYSA-N 410.470 3.136 0 40 HGAB biogenic COc1ccc(NC(=O)Cn2nnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1Cl 4367831 ALDNSRFOTXEUFM-JTQLQIEISA-N 418.906 3.279 0 40 HGAB Cc1cccc(NC(=O)Cn2cnc3c(cnn3-c3cccc(Cl)c3)c2=O)c1C 4479109 YBEUQLFLEMLICR-UHFFFAOYSA-N 407.861 3.491 0 40 HGAB CC(C)(C)NC(=O)[C@@H](c1ccncc1)N(C(=O)c1csnn1)c1ccc(F)cc1 4857825 VTERCIMRZGDNAU-QGZVFWFLSA-N 413.478 3.375 0 40 HGAB CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2ccccc2C(F)(F)F)n2ncnc2N1 4987204 OKGHPWRKHUJLOL-LRDDRELGSA-N 408.380 3.308 0 40 HGAB CCN(Cc1ccncc1)C(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O 5447334 VCSKTRYCUQXOEC-UHFFFAOYSA-N 406.463 3.121 0 40 HGAB COc1ccc(-c2n[nH]c(S[C@H](C)C(=O)NC(=O)NC3CCCCC3)n2)cc1 6141756 HJTMBVXRFCKVQD-GFCCVEGCSA-N 403.508 3.119 0 40 HGAB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NCCC(C)C)Cc1ccccc1 6203914 XFMWTVCXMWYOAR-UHFFFAOYSA-N 418.559 3.357 0 40 HGAB CCOc1cccc(C(=O)NC(=S)Nc2ccc(NC(=S)NC(C)=O)cc2)c1 6242813 CXWFOLOLNAETCC-UHFFFAOYSA-N 416.528 3.045 0 40 HGAB COc1ccc(NC(=O)CN(C)[C@H](C)C(=O)Nc2ccc(Br)cc2)cc1 6542069 QVSZZFXZLWLMOU-CYBMUJFWSA-N 420.307 3.355 0 40 HGAB CC(=O)n1c(SCC(=O)Nc2nnc(C(F)(F)F)s2)nc2ccccc21 6563231 LUAXOMOMMXBCLK-UHFFFAOYSA-N 401.395 3.298 0 40 HGAB Cc1cc(NC(=O)CSc2nnc(C3CCCCC3)n2N)n(-c2ccccc2)n1 6652161 DFHFHMXIQANMPS-UHFFFAOYSA-N 411.535 3.265 0 40 HGAB CCOC(=O)c1ccc(S(=O)(=O)N(C)Cc2ccc(Br)cc2)cc1 7218225 FNRAHYJYPARQOG-UHFFFAOYSA-N 412.305 3.447 0 40 HGAB CCCNC(=O)CSc1nnc(S[C@H](C)C(=O)N2CCCC[C@H]2CC)s1 8130074 IEIUDLFLQZLRFO-CHWSQXEVSA-N 416.638 3.428 0 40 HGAB Cc1cc(C)cc(NC(=O)COC(=O)[C@H](CC(C)C)N2C(=O)c3ccccc3C2=O)c1 8412007 PWEIBKJRNXYORG-FQEVSTJZSA-N 422.481 3.496 0 40 HGAB CNS(=O)(=O)Cc1ccc(CNC(=O)N[C@H](C)c2cc3ccccc3o2)cc1 9960496 DWHCRWNSWOMHKZ-CQSZACIVSA-N 401.488 3.042 0 40 HGAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)COc2cccc(C(F)(F)F)c2)c1 10860421 QPZQFIKZBROQJD-UHFFFAOYSA-N 411.332 3.296 0 40 HGAB O=S(=O)(NCc1ccccc1Cn1cccn1)c1ccc(Br)cc1 10958928 DECQFSHREJAXTO-UHFFFAOYSA-N 406.305 3.172 0 40 HGAB Cc1ccc(-c2ccc(=O)n(CCCNC(=O)c3ccc(Br)o3)n2)cc1 11738366 RVTQDSMJUPOYLX-UHFFFAOYSA-N 416.275 3.394 0 40 HGAB COc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4C)[C@@H](c4cccnc4)[C@H]3C2=O)cc1 11859831 PWQSEFAZOVLDGP-BHIFYINESA-N 415.449 3.450 0 40 HGAB Cc1ccc(-c2cn3c(C(=O)Nc4ccc(S(N)(=O)=O)cc4)csc3n2)cc1 11902479 LAQLJHHYFBULIF-UHFFFAOYSA-N 412.496 3.271 0 40 HGAB COc1ccc(-c2cc3nc([C@@H](C)NC(=O)Cc4ccccc4OC)nn3cn2)cc1 12085077 LNIVDEUOSDZONW-OAHLLOKOSA-N 417.469 3.228 0 40 HGAB Cn1ccnc1[C@H](O)c1cccc(F)c1N1CCN(Cc2ccc(F)cc2F)CC1 12143392 BQQUWVGXUYBYBZ-OAQYLSRUSA-N 416.447 3.241 0 40 HGAB CCc1ccccc1NC(=O)CN(C)C(=O)[C@H](C)N1CCN(c2cccc(C)c2)CC1 12563154 SAOZPVPRQGDMSV-FQEVSTJZSA-N 422.573 3.165 0 40 HGAB CC(C)CNC(=O)CN1CCN(c2nc(-c3cccs3)nc3ccccc23)CC1 12776296 RECGVXNATGDMMX-UHFFFAOYSA-N 409.559 3.253 0 40 HGAB CCc1nnc2sc(-c3ccc(CNC(=O)COc4ccccc4C)cc3)nn12 12856969 NNMBCDFDONWVRD-UHFFFAOYSA-N 407.499 3.419 0 40 HGAB CSc1nc2nc(C)c(CCC(=O)NCCc3ccc(Cl)cc3)c(C)n2n1 13000802 UVBCYEVXRWAKKH-UHFFFAOYSA-N 403.939 3.408 0 40 HGAB CCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1ccc2c(c1)NC(=O)[C@H](C)S2 13011512 VLUXFOLQNTUKDV-NSHDSACASA-N 419.453 3.498 0 40 HGAB O=C(Nc1ccccc1C(=O)N1CCN(c2ncccn2)CC1)c1ccc(Cl)cc1 13037772 UYNXBUURPKAQOK-UHFFFAOYSA-N 421.888 3.345 0 40 HGAB CCOc1ccc(/C=c2\sc3nc(-c4cccc(Cl)c4)nn3c2=O)cc1OC 13749764 ZKGQGUCMGBEJAG-YVLHZVERSA-N 413.886 3.426 0 40 HGAB CS(=O)(=O)N1CCC[C@@H](C(=O)Nc2nc(-c3nc4ccccc4s3)cs2)C1 13790206 YMFAIWXVAKOUJH-LLVKDONJSA-N 422.557 3.030 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(C(=O)OCc2cnn(-c3ccccc3)c2)cc1 14198778 AKIUOUHUPFWION-UHFFFAOYSA-N 413.499 3.260 0 40 HGAB CS(=O)(=O)N(CCCC(=O)NC12CC3CC(CC(C3)C1)C2)c1ccc(F)cc1 14396132 FRKOPKJVQODTCT-UHFFFAOYSA-N 408.539 3.457 0 40 HGAB COc1ccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CCCN(C)C)cc1 16752961 AEDICOFGHJTWSP-HXUWFJFHSA-N 410.445 3.438 0 40 HGAB Cc1cc(-c2cnc(N(C)C)nc2CN(Cc2ccccc2)C(=O)[C@@H]2CCCO2)on1 19123574 GQBOQTTWTBAHDU-FQEVSTJZSA-N 421.501 3.214 0 40 HGAB C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1ncc(Cc3ccccc3)s1)C2=O 19496146 MEYZOKHMNMLDPA-SZNDQCEHSA-N 412.515 3.173 0 40 HGAB CCn1cncc1C(=O)N1CC[C@](Cc2ccc(-c3cccs3)cc2)(C(=O)NC)C1 19578342 FUSDJLVZZYQESY-HSZRJFAPSA-N 422.554 3.453 0 40 HGAB Cc1nn(C)cc1C(=O)N1CC[C@H](c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C(C)C)N3)C1 19583448 LISYYDJIKGWJDU-JLJPHGGASA-N 424.471 3.498 0 40 HGAB Cc1nc([C@@H]2CCCCN2Cc2cnn(C)c2C)nc2c1CCC(=O)N2CC1CC1 19740850 MEAHWZNVDGRPKO-FQEVSTJZSA-N 408.550 3.243 0 40 HGAB CN1CCN(C2(CNC(=O)COc3ccc(C(C)(C)C)cc3)CCCCC2)CC1 19902160 OGTCJNIYDGPIOD-UHFFFAOYSA-N 401.595 3.429 0 40 HGAB COC(=O)[C@H](CC(C)C)NC(=O)N1CCc2nc[nH]c2[C@@H]1c1cccc(Cl)c1 20731199 VGYTZWTZRHEZAQ-WMZOPIPTSA-N 404.898 3.308 0 40 HGAB COc1cc([C@H]2SCC(O)=Nc3c2c(C)nn3-c2ncccn2)cc(OC)c1O 20745082 UNDWGUWHSSXRNV-QGZVFWFLSA-N 413.459 3.118 0 40 HGAB CCOC(=O)[C@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@@H]1c1ccccc1C 20802292 OTUGDHOEYBEFJI-WOJBJXKFSA-N 407.470 3.106 0 40 HGAB O=C(c1n[nH]c(=O)c2ccccc12)N1CCN(C2c3ccccc3-c3ccccc32)CC1 21548728 FNRDYAPVHPWWSZ-UHFFFAOYSA-N 422.488 3.451 0 40 HGAB CCOc1cc2c(cc1NS(=O)(=O)c1ccc3c(c1)OCCCO3)O[C@H](C)C2 21900831 XKWTUIAIXDTKAM-CYBMUJFWSA-N 405.472 3.371 0 40 HGAB CCCNC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(OCC)c(Cl)c1 22269268 HKTPWVNNNAZTGK-GOSISDBHSA-N 424.950 3.155 0 40 HGAB COc1ccc(N2C(=O)C[C@@H](N(C)Cc3ccc(SC)cc3)C2=O)c(OC)c1 22729885 YPODSXCCZXIPMW-GOSISDBHSA-N 400.500 3.190 0 40 HGAB O=C(Cn1nc(C2CC2)c2cnn(-c3ccc(F)cc3)c2c1=O)N1CCCCCC1 22768009 NKBDVFZNTVVSBF-UHFFFAOYSA-N 409.465 3.001 0 40 HGAB CNC(=O)c1ccc(CN(Cc2ccco2)S(=O)(=O)c2cccc(F)c2)cc1 24839902 SSBOFUYMYBGAIH-UHFFFAOYSA-N 402.447 3.169 0 40 HGAB C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N(C)Cc1ccccc1OC(F)(F)F 25534127 GWQJHTDQHBOTCJ-NSHDSACASA-N 408.380 3.214 0 40 HGAB CNC(=O)NC(=O)[C@H](C)N1CCN(Cc2ccc(-c3ccccc3Cl)s2)CC1 27903755 HZXIDJPSKBDFOC-AWEZNQCLSA-N 420.966 3.030 0 40 HGAB CCN(CC)[C@H](CNC(=O)C1CCN(C(=O)C2CC2)CC1)c1ccccc1Cl 32316538 CDYMQLKLUROQGS-HXUWFJFHSA-N 405.970 3.488 0 40 HGAB Cc1ccc(N2C(SCCOc3ccccc3)=N[C@H]3CS(=O)(=O)C[C@H]32)c(C)c1 32640653 BJGQCMANGQNAJT-AZUAARDMSA-N 416.568 3.457 0 40 HGAB CSc1ccc(N2C[C@@H](C(=O)NC[C@H](c3cccc(F)c3)N(C)C)CC2=O)cc1 32730848 ZVOWKENQCALEFI-OXJNMPFZSA-N 415.534 3.320 0 40 HGAB CCN(CC)[C@@H](CNC(=O)[C@@H](C)NC(=O)/C=C/c1ccccc1)c1cccc(OC)c1 32753483 JBXPZGMKSLMVHU-IZJVWCBNSA-N 423.557 3.412 0 40 HGAB C[C@]12CCC(=O)N1c1ccccc1C(=O)N2CC(=O)Nc1ccc2ccccc2n1 32816267 GVRDHABFUNMAGV-HSZRJFAPSA-N 400.438 3.172 0 40 HGAB O=C(NCc1nc(-c2ccccc2)no1)C1CCN(Cc2nc3ccccc3[nH]2)CC1 38489451 CXGVHGXLQCLKQV-UHFFFAOYSA-N 416.485 3.141 0 40 HGAB COc1ccc2nc(NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(C)=O)sc2c1 40020010 AZOQTZJKLGXYDQ-GOSISDBHSA-N 408.483 3.472 0 40 HGAB Cc1occc1C(=O)Nc1nc(CC(=O)NC[C@H]2CCN(c3ccccc3)C2)cs1 48230789 QDKUXSALJTXCCN-MRXNPFEDSA-N 424.526 3.482 0 40 HGAB Cc1cc(C)n(CCCNC(=O)[C@@H]2CC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)n1 48325944 HWHNWUJCNQTCFF-QGZVFWFLSA-N 422.451 3.074 0 40 HGAB COc1ccccc1-c1nnc(S(=O)(=O)Cc2csc(C(C)(C)C)n2)n1C 48365659 QPXLJBJWKOZXGO-UHFFFAOYSA-N 406.533 3.219 0 40 HGAB Cc1ccc([C@@H]2NC(=O)N(CC(=O)Nc3c(C)cc(C)cc3C)C3=C2C(=O)OC3)cc1 49402845 VGTGSYGUOAIVHO-QFIPXVFZSA-N 419.481 3.436 0 40 HGAB Cc1ccc(NC(=O)NC[C@@H](O)COc2ccccc2)cc1NC(=O)c1ccncc1 58218645 UJNRTVDDIBYXMF-LJQANCHMSA-N 420.469 3.204 0 40 HGAB O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@@H]1CCC[C@@H](C(F)(F)F)C1 58225112 VSIJQCUOCLXVDX-ZIAGYGMSSA-N 420.453 3.015 0 40 HGAB O=C(CSc1nnc2c(=O)n(-c3ccccc3)ccn12)Nc1ccc(Cl)cc1 64593465 RKXBNXCXBKBHPY-UHFFFAOYSA-N 411.874 3.264 0 40 HGAB COc1ccc(NC(=O)[C@H]2CCN(S(C)(=O)=O)c3cc(C)ccc3O2)cc1Cl 64988591 UYZMPQHODJXFCN-GOSISDBHSA-N 424.906 3.213 0 40 HGAB COc1cccc(-n2cc(C(=O)O)c3c2[C@@H](c2ccc4c(c2)OCO4)CC(=O)N3)c1 66087483 UIHDMZNZCXTTHP-OAHLLOKOSA-N 406.394 3.387 0 40 HGAB Cc1c(C(=O)NC2CCCCC2)nnn1-c1cccc2c1CCN(C1CCOCC1)C2 71890365 JMWSGLXEGVINAV-UHFFFAOYSA-N 423.561 3.175 0 40 HGAB O=C(CN1CCC[C@@H]1c1ccc2c(NCc3ccccc3)n[nH]c2n1)N1CCCC1 72374496 NGLOGTKKMYASEQ-HXUWFJFHSA-N 404.518 3.329 0 40 HGAB CNc1nc([C@H]2CCCCN2C(=O)CCc2ccccc2)nc2c1CN(C(C)=O)CC2 72380126 VFZHAMNTOOZGGR-OAQYLSRUSA-N 421.545 3.109 0 40 HGAB O=c1n(CCCN2CCN(c3ccc(Cl)c(Cl)c3)CC2)nc2ccccn12 77291423 BYMWUBUCHMEWPM-UHFFFAOYSA-N 406.317 3.015 0 40 HGAB in-vitro O=C(Nc1ccccc1)c1ccc(NCc2nc3ncc(Br)cc3[nH]2)nn1 78876068 UZYSOCQEBCNFCK-UHFFFAOYSA-N 424.262 3.375 0 40 HGAB C[C@H]1C[C@H](NC(=O)COc2ccc(N3CCCC3=O)cc2)CCN1Cc1ccccc1 95408976 RIQLCABSCOHFIC-PZJWPPBQSA-N 421.541 3.362 0 40 HGAB COC(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccccc2Cn2ccnc2)c1 95466402 LFYRLDXTGMXITO-UHFFFAOYSA-N 405.863 3.172 0 40 HGAB CN1CCN(C(=O)C[C@@H]2CC3(CCN(Cc4ccncc4)CC3)c3ccccc32)CC1 96052945 PPMBBXHBSPQWDT-JOCHJYFZSA-N 418.585 3.267 0 40 HGAB COc1ccc(-c2cc(C(=O)NCCCc3nc4ccccc4[nH]3)[nH]n2)cc1OC 96118491 CMGOGOZRDUYFJQ-UHFFFAOYSA-N 405.458 3.333 0 40 HGAB Cc1cnc(CNC(=O)[C@@H]2C[C@@]3(CO2)CN(Cc2ccccc2)c2ccccc23)cn1 96262840 OYCDJBDMXLNDEP-ZCYQVOJMSA-N 414.509 3.148 0 40 HGAB CC(C)n1nccc1NC(=O)[C@H](C)N1CCN(CCOc2ccc(Cl)cc2)CC1 96833080 OGFYQBICYXFNEW-KRWDZBQOSA-N 419.957 3.141 0 40 HGAB COc1ccc2c(c1)O[C@@]1(C[C@@H]3CC[C@@H]1C[C@@H]3C(=O)NCc1ccccc1F)NC2=O 100181629 BQMNYYYNDCZDBI-FHSYTFFZSA-N 424.472 3.405 0 40 HGAB Cc1ccc(-c2noc(CN3N=N[C@H]4C(=O)N(c5cccc(Cl)c5)C(=O)[C@H]43)n2)cc1 101311514 TUAGTORCVWJZEF-SJORKVTESA-N 422.832 3.192 0 40 HGAB Cc1nn(Cc2ccc(F)cc2Cl)c(C)c1N1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 102630861 MNNBMQCYKDQJSJ-NCOADZHNSA-N 403.841 3.008 0 40 HGAB CCOC(=O)[C@@]1(CN)[C@H](c2ccc(C)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218587479 OMBKGVQRHQKMII-HBFSDRIKSA-N 407.919 3.096 0 40 HGAB COc1ccc(OC)c(N([C@@H](C)C(=O)Nc2ccc(C)c(C)c2)S(C)(=O)=O)c1 220206196 YDNFRIHZOCHPEE-HNNXBMFYSA-N 406.504 3.114 0 40 HGAB CC[C@@H](C(=O)NCCCc1ccc(C)cc1)N(c1ccccc1F)S(C)(=O)=O 220602515 HZVKTTAUPBVRSI-IBGZPJMESA-N 406.523 3.428 0 40 HGAB CCOc1ccccc1N(CCCC(=O)N1CCc2ccccc21)S(C)(=O)=O 222614044 UELBGJYHKLLKII-UHFFFAOYSA-N 402.516 3.221 0 40 HGAB COC(=O)c1cn(C(=O)c2cc(NS(C)(=O)=O)ccc2Cl)c2ccccc12 222618440 ROOBHLKZARDJDP-UHFFFAOYSA-N 406.847 3.141 0 40 HGAB CCCC(=O)N(Cc1ccc(Cl)cc1)[C@H](Cc1ccccc1)C(=O)NCCO 223126366 VSEQLOKOHGULDL-HXUWFJFHSA-N 402.922 3.189 0 40 HGAB Cc1ccccc1N(CCCC(=O)NCCCOC1CCCCC1)S(C)(=O)=O 223134922 JJTYPMGUALUICM-UHFFFAOYSA-N 410.580 3.397 0 40 HGAB COc1ccc(N(CCCC(=O)NC(C)(C)Cc2ccccc2)S(C)(=O)=O)cc1 223620492 PJUOVKGLLNBDCR-UHFFFAOYSA-N 418.559 3.379 0 40 HGAB COc1cccc(CN(C(=O)COc2ccc(F)cc2)[C@H](C)C(=O)NCC(C)C)c1 224451892 VKUIBEYXSJJNLS-QGZVFWFLSA-N 416.493 3.403 0 40 HGAB Cc1ccc(-c2nnc(NC(=O)c3ccc(N(C)S(C)(=O)=O)c(C)c3)s2)cc1 225787634 TUVWFXZTHKOECH-UHFFFAOYSA-N 416.528 3.470 0 40 HGAB CCOC(=O)COc1ccc(NC(=O)C2(C3(C(=O)N4CCCCC4)CC3)CC2)cc1 225926472 JTLNENFCNSGZSB-UHFFFAOYSA-N 414.502 3.140 0 40 HGAB COc1ccc(-c2csc(NC(=O)CN3CC[C@@H](OC)[C@]4(CCCO4)C3)n2)cc1 257222511 DTODUGWAHJJULW-NQIIRXRSSA-N 417.531 3.027 0 40 HGAB COc1ccc(F)cc1-c1cccc(CC2(C(=O)NC[C@@H](C)O)CCOCC2)c1 257231116 GFHWWXUHHHPSLH-MRXNPFEDSA-N 401.478 3.338 0 40 HGAB CC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3N(C(=O)c1cnccn1)[C@H]2Cc1ccccc1 257291789 QIPSPTPAUMWYHV-CHSSDKTLSA-N 404.514 3.092 0 40 HGAB CNC(=O)c1sc2nc(C3(C)CCN(C(=O)C4CCCC4)CC3)ccc2c1N 257344529 ZXRWCGOPBIDLKQ-UHFFFAOYSA-N 400.548 3.308 0 40 HGAB CCCNC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C)ccc1OC 408530861 NQNKGRIWNXLYLI-UHFFFAOYSA-N 410.923 3.379 0 40 HGAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCCC2=CCCCC2)cc1Cl 408592976 LGVMBCNULBMGPZ-AWEZNQCLSA-N 414.955 3.412 0 40 HGAB CC1(C)[C@H]2CC[C@]1(C)C(=O)N(c1ccc(S(=O)(=O)N3CCCCC3)cc1)C2=O 408721252 FVSIHUFVQGQNNI-LAUBAEHRSA-N 404.532 3.177 0 40 HGAB Cn1cc(C(=O)C[C@H]2CCCN2C(=O)c2nccnc2Sc2ccccc2)cn1 571323054 LEMDVNLYBVZFAI-MRXNPFEDSA-N 407.499 3.239 0 40 HGAB CC1(C)CN(C(=O)c2ccc3nnnn3c2)C[C@H](c2cccc(C(F)(F)F)c2)O1 580852236 RTMIYDUXQNOLEB-OAHLLOKOSA-N 405.380 3.135 0 40 HGAB C[C@@H](NC(=O)N1CCC2(CC1)C[C@@H](O)CNC2=O)c1ccc(Oc2ccccc2)cc1 1563861786 KGVLDAZPDCWCIQ-IEBWSBKVSA-N 423.513 3.213 0 40 HGAB Cc1cc(Br)c2[nH]nc(NC(=O)c3cc(S(C)(=O)=O)oc3C)c2c1 1630876738 WOQDPNXHVYSXSE-UHFFFAOYSA-N 412.265 3.191 0 40 HGAB CCn1cc(C(=O)N2CCC[C@@H]3[C@H]2CCCCc2ccccc2OCC(=O)N3C)cn1 1848354612 XLZVZXRTBDVQAO-NHCUHLMSSA-N 424.545 3.140 0 40 HGAB O=C(Nc1ccccc1)N1CC[C@@H](COc2ccc3nnc(C(F)(F)F)n3n2)C1 1888910646 JXZJHAVBNJLYEN-GFCCVEGCSA-N 406.368 3.076 0 40 HGAB Cc1c(Cc2ccccc2)c(=O)oc2c(C)c(O[C@H](C)C(=O)NCCC(=O)O)ccc12 2098920 VHXBSCKUGFAZDO-MRXNPFEDSA-N 423.465 3.359 0 40 HGAB biogenic COc1cc2c(cc1OC)-c1cc(Oc3cc(C=O)ccc3OC)nc(=O)n1CC2 2129778 BQGXKCLNXUFQOY-UHFFFAOYSA-N 408.410 3.097 0 40 HGAB biogenic O=c1/c(=C/c2cccc(Cl)c2)sc2n1CN(c1cccc(C(F)(F)F)c1)CN=2 2247588 ACGDNCNKKGDDLC-PXNMLYILSA-N 423.847 3.466 0 40 HGAB CCOc1ccc(/C=c2\sc3nc(-c4ccccc4OC)nn3c2=O)cc1OCC 2337112 HXCCZKZMBLHOFA-UYRXBGFRSA-N 423.494 3.172 0 40 HGAB Nc1c(C(=O)c2ccc(Cl)s2)sc2c1c(=O)[nH]c(=O)n2Cc1cccs1 2624826 GXWQBYVVXSXHQY-UHFFFAOYSA-N 423.928 3.389 0 40 HGAB COc1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc(Cl)cc3)C2=O)cc1Cl 3267241 WCHCJILGPHXJAC-IBGZPJMESA-N 422.268 3.408 0 40 HGAB C[C@H](NC(=O)c1ccco1)C(=O)Nc1nnc(SCc2ccc(F)cc2)s1 3345150 JLAIPZJDXUHMMI-JTQLQIEISA-N 406.464 3.320 0 40 HGAB COCCn1c(SCC(=O)Nc2cccc(C)c2C)nc2c(c1=O)S[C@H](C)C2 4108015 WFWKAOTUANSSFU-CYBMUJFWSA-N 419.572 3.274 0 40 HGAB O[C@@H]1C(c2ccccc2OCc2ccccc2)=NN[C@@H]1c1ccc2c(c1)OCCO2 4338152 QWROANHOKQANMU-VWNXMTODSA-N 402.450 3.446 0 40 HGAB O=C(CSc1ccc(-c2ccc3c(c2)OCO3)nn1)Nc1ccc2c(c1)OCO2 4356592 ZHVSMQMXFJQRFP-UHFFFAOYSA-N 409.423 3.332 0 40 HGAB COc1ccc(CCNC(=O)COC(=O)C23CC4CC(CC(C4)C2)C3)cc1OC 5127329 PWVOSMINFICTIA-UHFFFAOYSA-N 401.503 3.122 0 40 HGAB CCN(Cc1ccccc1)C(=O)COC(=O)/C=C/c1cc(OC)c(OC)c(OC)c1 5779716 REOMNGBXTNQJRI-VAWYXSNFSA-N 413.470 3.318 0 40 HGAB CCNc1c(NS(=O)(=O)c2ccc(OC)c(OC)c2)c(=O)oc2ccccc12 6784678 QWFCXUBBTQGVRO-UHFFFAOYSA-N 404.444 3.043 0 40 HGAB COc1ccc(NC(=O)CCc2nnc3n(CC(C)C)c(=O)c4ccccc4n23)cc1 6803155 DDMBOFPHPWZPSW-UHFFFAOYSA-N 419.485 3.280 0 40 HGAB O=C(NCc1ccccc1Cl)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 6884548 SAMJYSAOQOLMSQ-OAHLLOKOSA-N 410.898 3.196 0 40 HGAB CCOc1cc(C(=S)N2CCOCC2)ccc1OCC(=O)Nc1ccccc1C 6960946 LTQRLTLLUFWTFN-UHFFFAOYSA-N 414.527 3.419 0 40 HGAB C[C@H](C1CC1)N(CC(F)(F)F)C(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 7718961 LSVORNKZNXVQQB-CYBMUJFWSA-N 404.454 3.274 0 40 HGAB CCOc1ccc(NC(=O)c2ccc(C)n2C)cc1S(=O)(=O)N1CCCCC1 7988532 FISKLDZBEIXYQP-UHFFFAOYSA-N 405.520 3.159 0 40 HGAB CS(=O)(=O)c1cccc(C(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2)c1 8401677 FGIMOHNPQZHWSZ-UHFFFAOYSA-N 410.499 3.327 0 40 HGAB O=C(COc1ccc(N2C[C@@H](C(=O)O)CC2=O)cc1)Nc1cc(Cl)cc(Cl)c1 8732513 XBWZNOVMKWBMDR-NSHDSACASA-N 423.252 3.448 0 40 HGAB CSc1nc(NCC(C)C)c2cnn(CCNC(=O)Cc3ccc(F)cc3)c2n1 8942810 SCHZPZOPMMLFRG-UHFFFAOYSA-N 416.526 3.114 0 40 HGAB CCCCCC[C@]1(C)NC(=O)N(Cc2nc(N)nc(Nc3ccccc3C)n2)C1=O 9206812 LXYMHSOFHTYTIT-NRFANRHFSA-N 411.510 3.287 0 40 HGAB O=C(CSc1ccccc1C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)NCc1ccco1 9579473 RZZPJGHMAMIGAX-UHFFFAOYSA-N 422.466 3.110 0 40 HGAB COc1ccccc1NC(=O)Cc1csc(NC(=O)c2ccc3c(c2)OCO3)n1 9659286 JEUMXAXLVLCLRV-UHFFFAOYSA-N 411.439 3.314 0 40 HGAB CC(C)[C@H](NC(=O)COc1ccccc1)C(=O)N1CCc2[nH]c3ccccc3c2C1 9902241 AHIZXOHROINXNB-QHCPKHFHSA-N 405.498 3.272 0 40 HGAB C[C@H](NC(=O)Cc1c(F)c(F)c(F)c(F)c1F)c1ccc(S(C)(=O)=O)cc1 10517819 DTMIHHSKOHKVLC-QMMMGPOBSA-N 407.360 3.206 0 40 HGAB O=C(c1ccc2c(c1)OCCO2)N1CCC[C@H](c2ncncc2-c2ccncc2)C1 12088533 RUUZKNNPPDHUQI-SFHVURJKSA-N 402.454 3.330 0 40 HGAB Cc1cc(-c2cncnc2C2CCN(C(=O)Cn3cnc4ccccc43)CC2)on1 12117153 BFMTWKXKNJNJAS-UHFFFAOYSA-N 402.458 3.196 0 40 HGAB CCCc1nn(CC(=O)N(Cc2ccccn2)C2CC2)c(=O)c2cc3ccsc3n12 12117616 ORQVJZURCHGJOB-UHFFFAOYSA-N 421.526 3.249 0 40 HGAB COc1ccc(-c2cc3nc(CCNC(=O)c4c(C(C)C)noc4C)nn3cn2)cc1 12234729 LCSKZSSJFLMDDY-UHFFFAOYSA-N 420.473 3.192 0 40 HGAB COc1ccccc1NC(=O)CNC(=O)c1ccc2nc(-n3cccc3)sc2c1 12388871 GRVXCKKTIDQFBC-UHFFFAOYSA-N 406.467 3.464 0 40 HGAB CNS(=O)(=O)c1ccc(CCC(=O)Nc2cc(Cl)ccc2N2CCCC2)cc1 12522707 ZRSXRGWJMGRFBO-UHFFFAOYSA-N 421.950 3.420 0 40 HGAB CN(C)C1(CNC(=O)c2ccc(S(=O)(=O)Nc3ccccc3)cc2)CCCCC1 12548407 ARNCGEGKQVNACS-UHFFFAOYSA-N 415.559 3.482 0 40 HGAB CCOc1ccccc1N1C[C@@H](C(=O)N[C@@H](c2ccccc2)c2nccn2C)CC1=O 12741322 UWFLCJOJDAMUGQ-AVRDEDQJSA-N 418.497 3.078 0 40 HGAB Cc1ccc2c(c1)C(=O)N(CCCC(=O)NCc1ccccc1OC(F)F)C2=O 12826615 CANZFMVSWCXECW-UHFFFAOYSA-N 402.397 3.289 0 40 HGAB COc1cccc([C@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)NC[C@@H]4CCCO4)c3N2)c1 13124057 URNPSFADKPRTEG-UAGQMJEPSA-N 424.423 3.461 0 40 HGAB CCOCCn1/c(=N\C(=O)c2ccccc2S(C)(=O)=O)sc2cc(C)ccc21 13286779 PFPQQVHLQZZMDV-QZQOTICOSA-N 418.540 3.192 0 40 HGAB O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)NC12CC3CC(CC(C3)C1)C2 14187455 KIZJEBOJEOWNSX-UHFFFAOYSA-N 416.587 3.489 0 40 HGAB Cc1ccc(CS[C@@H](C)C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 15490855 SGSFKGJXTOTDHR-SFHVURJKSA-N 418.584 3.150 0 40 HGAB COc1cc(CC(=O)O[C@@H](C)C(=O)Nc2c(C)cccc2C)cc(OC)c1OC 15705178 NQQNQQGDNYKKQL-HNNXBMFYSA-N 401.459 3.442 0 40 HGAB CC(C)c1nccn1[C@H](C)C(=O)N1CCN([C@H](c2ccccc2)c2nccn2C)CC1 19454297 IGWGVNDWRJBDPJ-TZIWHRDSSA-N 420.561 3.235 0 40 HGAB Cc1cc(C(=O)N2CCc3nc(N4CCC[C@@H](C)C4)[nH]c(=O)c3C2)nc2ccccc12 19660806 QVBWAHKZDQDCTQ-OAHLLOKOSA-N 417.513 3.061 0 40 HGAB Cc1nc([C@@H]2CCCN(S(=O)(=O)C3CCCC3)C2)nc2c1CCCN2CC1CC1 19706659 VINKNGZPBOOBJZ-GOSISDBHSA-N 418.607 3.399 0 40 HGAB CCOc1ccc([C@@H]2CCCN2S(=O)(=O)c2ccc3c(c2)CC(=O)N3C)cc1 19715512 DBHYMJFJYKJVDJ-FQEVSTJZSA-N 400.500 3.130 0 40 HGAB O=C(NCc1ccccc1Cl)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 19857423 HHHVPCSRKCSYIU-GOSISDBHSA-N 406.935 3.198 0 40 HGAB Cc1ccccc1CS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(F)c(F)c2)C1 19858211 XITURHDRBIPBRZ-OAHLLOKOSA-N 408.470 3.454 0 40 HGAB COc1ccc([C@H](CNC(=O)COc2ccc(Cl)c(C)c2)N2CCOCC2)cc1 19901937 FGDDGNHPAWGRLV-NRFANRHFSA-N 418.921 3.226 0 40 HGAB CS(=O)(=O)N(CC(=O)Nc1ccc(F)c(C(F)(F)F)c1)Cc1ccccc1 20012893 BZIFFBZTMJZYFM-UHFFFAOYSA-N 404.385 3.245 0 40 HGAB CN(c1ccc(OCC(=O)Nc2c(Cl)cccc2Cl)cc1)S(C)(=O)=O 22230561 COHMZTVACYENCY-UHFFFAOYSA-N 403.287 3.407 0 40 HGAB Cc1cc(C)c(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CCCC2)c(C)c1 22246465 GBRCTKLOSNBVPG-HXUWFJFHSA-N 400.544 3.124 0 40 HGAB O=C(CCNC(=O)C12CC3CC(CC(C3)C1)C2)NCCCc1nc2ccccc2[nH]1 22489866 YOLHXEPTVMLRHG-UHFFFAOYSA-N 408.546 3.334 0 40 HGAB CCc1nc2sc([C@H](c3ccc(C)cc3)N3CCC4(CC3)OCCO4)c(O)n2n1 22854091 GVGARMLKIPVCKF-KRWDZBQOSA-N 414.531 3.296 0 40 HGAB CN(Cc1ccccc1N1CCCCC1)c1ccc(S(=O)(=O)N2CCCC2)cn1 23820278 MVVXNDUBHXSAEQ-UHFFFAOYSA-N 414.575 3.493 0 40 HGAB C[C@H](OC(=O)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1)C(=O)N1CCc2ccccc21 26030388 ZSMJGJSRDSVLQJ-LPHOPBHVSA-N 424.472 3.199 0 40 HGAB CC(C)(C)OC(=O)N1CCN(CC(=O)Nc2ccccc2SC(F)F)CC1 26911939 SKBOAAWVWKMGIS-UHFFFAOYSA-N 401.479 3.493 0 40 HGAB CCOC(=O)[C@@H]1Sc2nnc(C(F)(F)F)n2N[C@@H]1c1ccc(OCC)cc1 27028539 OPNZSVUTAFOORE-VXGBXAGGSA-N 402.398 3.018 0 40 HGAB COc1ccc(Nc2nnc(SCc3ccc(F)cc3)n(C)c2=O)cc1OC 28538720 WIWWKUDGBFLQBD-UHFFFAOYSA-N 402.451 3.368 0 40 HGAB Cn1c(SCc2cccs2)nnc(Nc2ccc3c(c2)OCCCO3)c1=O 28539075 HTZBDHCMOXFKIP-UHFFFAOYSA-N 402.501 3.434 0 40 HGAB CSc1ccccc1NC(=O)[C@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1 30938150 DXVXBVWTDINNAF-OAHLLOKOSA-N 412.920 3.228 0 40 HGAB COc1ccc(NC(=O)Cn2c(=O)n(-c3ccccc3)c(=O)c3cc(C)sc32)cc1 32093266 MXCOTUCAMSHFKQ-UHFFFAOYSA-N 421.478 3.170 0 40 HGAB Cc1cc(Br)ccc1NC(=O)C1=NN(c2ccccc2)C(=O)[C@@H](C)N1 32809954 WWXBRYAHGOAWQX-GFCCVEGCSA-N 401.264 3.034 0 40 HGAB COc1ccc2c(C)c(CCC(=O)Nc3ccc(S(C)(=O)=O)cc3)c(=O)oc2c1 32843340 WSNBPGWRXSENHZ-UHFFFAOYSA-N 415.467 3.085 0 40 HGAB COc1cc(OC)c(C2=CCN(C[C@H](O)COc3ccccc3F)CC2)c(OC)c1 32860413 VIEZWWXPGROTOJ-KRWDZBQOSA-N 417.477 3.381 0 40 HGAB Cc1oc(-c2ccccc2)nc1Cn1nnc(C(=O)NCc2ccc(Cl)cc2)c1N 33291605 QRLAMBDJTRRJAO-UHFFFAOYSA-N 422.876 3.455 0 40 HGAB CC(C)c1cccc(OCC(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)c1 39978578 XCOZBFGHCQIABA-QGZVFWFLSA-N 407.557 3.466 0 40 HGAB C[C@@H](OC(=O)c1cccc(S(=O)(=O)NC2CC2)c1)c1nc(-c2cccs2)no1 40072521 CAVHYPNMZJCBLL-LLVKDONJSA-N 419.484 3.157 0 40 HGAB CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)N(C)CCOc2ccccc2F)cc1 40103872 ACRAEOQMNJVVGU-UHFFFAOYSA-N 423.510 3.397 0 40 HGAB Cc1ccc(C)c(Oc2ccc(CNC(=O)CN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)cn2)c1 40112476 DBBZIHSUIUKREY-RTBURBONSA-N 419.481 3.058 0 40 HGAB CC(C)(C)c1nc(CN2CCN(C(=O)c3ccc4c(c3)OCCO4)CC2)cs1 40118643 WHGKOOSFXGVDDE-UHFFFAOYSA-N 401.532 3.170 0 40 HGAB Cc1nn(-c2ccccc2)c(C)c1CNC(=O)[C@H]1CCCN(c2ccc(Cl)nn2)C1 40131373 KLWBLKLPNKPIQH-KRWDZBQOSA-N 424.936 3.465 0 40 HGAB CN(Cc1cnn(-c2ccccc2)c1)C(=O)CCNC(=O)c1ccc(F)cc1Cl 40131832 GAZCGBFEJNJJIF-UHFFFAOYSA-N 414.868 3.443 0 40 HGAB O=C(Nc1ccc(Br)cc1F)c1c(-n2cnnn2)sc2c1CCC2 40288190 BTHRJBASCLYRNN-UHFFFAOYSA-N 408.256 3.366 0 40 HGAB COc1cccc(NC(=O)[C@@]23CCC(=O)N2c2ccccc2C(=O)N3CC(C)C)c1 40313352 RVXWKVSFRKMQTG-HSZRJFAPSA-N 407.470 3.269 0 40 HGAB biogenic CC[C@@H](C)NC(=O)CN1C(=O)[C@H](C)Oc2ccc(-c3csc(CCOC)n3)cc21 40608616 VKMMTOPIBWYNRA-KGLIPLIRSA-N 417.531 3.028 0 40 HGAB NC(=O)N[C@@H](CC(=O)NCc1cccnc1Oc1cccc(F)c1)c1ccccc1 43050325 HFTMCGFOJAOAKT-IBGZPJMESA-N 408.433 3.429 0 40 HGAB Cc1ccc(NC(=O)COc2cc(C)nc(N3CCN(c4ccccc4)CC3)n2)cc1 44170086 WZGVYKCPXYEQSV-UHFFFAOYSA-N 417.513 3.438 0 40 HGAB CC[C@H](C)n1c(=O)c2ccccc2n(CC(=O)Nc2ccc(OC)c(Cl)c2)c1=O 44840131 DUMJCRKGHRHAEI-ZDUSSCGKSA-N 415.877 3.435 0 40 HGAB CC[C@@H](NC(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(C)ccc2O1)c1ccc(C)cc1C 44856734 ZJTWPAJASUWTOU-NQIIRXRSSA-N 416.543 3.406 0 40 HGAB COc1ccc(S(N)(=O)=O)cc1NC(=O)c1ccc(C2SCCS2)cc1 53776417 MRGQFXRXXLJFDN-UHFFFAOYSA-N 410.542 3.074 0 40 HGAB COc1ccc(CNC(=O)N[C@@H](C(=O)N2CCCCC2)c2ccccc2)cc1OC 56345704 LCVVTYFBTZNXKP-OAQYLSRUSA-N 411.502 3.257 0 40 HGAB CSc1nc(-c2ccco2)nc(C)c1C(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O 57991665 DIORPZOYBYRXFL-UHFFFAOYSA-N 408.439 3.245 0 40 HGAB CCCOc1ccc(NS(=O)(=O)c2cccc(-n3cnnn3)c2)cc1OCCC 60165889 OVEZDYKQDMPBRT-UHFFFAOYSA-N 417.491 3.041 0 40 HGAB Cc1cc(C)n(CC(=O)Nc2cccc(F)c2)c(=O)c1S(=O)(=O)c1ccccc1 64838456 WEMMNPQTDBTTGS-UHFFFAOYSA-N 414.458 3.076 0 40 HGAB CC[C@H](C)NC(=O)[C@H]1CSCN1C(=O)/C=C/c1ccc(OC(F)F)c(OC)c1 65591130 DGFLHVQEXWGZHG-SKVWCYETSA-N 414.474 3.126 0 40 HGAB Cc1ccc(C)c([C@@H]2NC(=O)N(CC(=O)Nc3ccccc3C)C3=C2C(=O)OC3)c1 67288685 UWKUUCKXSVSSGS-NRFANRHFSA-N 405.454 3.128 0 40 HGAB O=C(Nc1ccc([C@H]2OCC(=O)N(CC3CCCCC3)[C@@H]2CO)cc1)c1ccccn1 72321122 HPVHBMRASWTZLA-FYYLOGMGSA-N 423.513 3.175 0 40 HGAB biogenic,in-vitro CCC(=O)N1N=C(c2ccc(NS(C)(=O)=O)cc2)C[C@H]1c1cccc(OC)c1 79112328 ZRSJZVDJJORBHM-IBGZPJMESA-N 401.488 3.154 0 40 HGAB O=C(CCOc1ccccc1F)N1CCN(CCOc2ccccc2Cl)CC1 84507161 QJWWGDOMPYFOSF-UHFFFAOYSA-N 406.885 3.471 0 40 HGAB CC(C)(C)CN(C[C@H](O)c1ccccc1)S(=O)(=O)c1cccc2c1COC2=O 95461965 IYZWMHYNWIEZBO-SFHVURJKSA-N 403.500 3.127 0 40 HGAB CC(C)CCN1C(=O)C(C)(C)COc2ccc(NS(=O)(=O)c3cn(C)cn3)cc21 96025644 IOABWJSVRYKMSK-UHFFFAOYSA-N 420.535 3.019 0 40 HGAB O=C(COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1)NCC1CCOCC1 96114241 QQQOCGFKNROXSQ-UHFFFAOYSA-N 409.438 3.087 0 40 HGAB biogenic Cc1ccc(N2C(=O)C[C@@H](c3c(C)nn(-c4nc5ccccc5[nH]4)c3O)C2=O)cc1C 100069125 RYFFIZAZUARSCI-INIZCTEOSA-N 415.453 3.427 0 40 HGAB COc1cc(OC)cc(N2N=N[C@H]3C(=O)N(c4ccc(C)c(Cl)c4)C(=O)[C@H]32)c1 101260364 XQSXTUQTFFYQMU-SJORKVTESA-N 400.822 3.163 0 40 HGAB CC(C)=C1[C@H]2CC[C@H]1[C@H]1C(=O)N(NC(=O)COc3ccc(C(C)(C)C)cc3)C(=O)[C@H]21 101961536 MLRLTPLFYJYRNB-DEPWHIHDSA-N 410.514 3.372 0 40 HGAB O=C(O)[C@H]1[C@@H]2CC[C@H](O2)[C@@H]1C(=O)Nc1nc(-c2ccc(Br)cc2)cs1 102299271 XCCBLJLLIOMBMK-XUXIUFHCSA-N 423.288 3.389 0 40 HGAB C[C@@H](NS(=O)(=O)c1ccc(NC(=O)COCC2CC2)cc1)[C@H]1C[C@H]2CC[C@H]1C2 105654453 HOMOCRDMARHTQH-HSSOGYSNSA-N 406.548 3.155 0 40 HGAB C[C@H](Nc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1C(=O)O)c1ccccc1 217632665 LKFHLJOOMPWPDT-HOCLYGCPSA-N 404.488 3.015 0 40 HGAB CC[C@H](C(=O)NCCSCc1ccco1)N(c1cccc(C)c1)S(C)(=O)=O 220505013 ZVFSXFBROKUMSQ-GOSISDBHSA-N 410.561 3.182 0 40 HGAB CC[C@@H](NC(=O)CN(C)S(=O)(=O)c1ccccc1)c1ccc2c(c1)CCCC2 223139885 BIGUAONKWBYQBB-OAQYLSRUSA-N 400.544 3.453 0 40 HGAB C[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N[C@@H](C)c1ccc2c(c1)CCC2 223251548 YMXPAPPNMBTCAX-HOTGVXAUSA-N 416.543 3.216 0 40 HGAB CCCc1ccc(OCCNC(=O)[C@H](C)N(c2ccc(C)cc2)S(C)(=O)=O)cc1 223890099 SFDMIRQCDNJHFV-SFHVURJKSA-N 418.559 3.297 0 40 HGAB O=C(NCCOc1ccccc1Cl)c1ccc(N2CCCCS2(=O)=O)cc1 224385994 OJBSHTIJABOYIA-UHFFFAOYSA-N 408.907 3.079 0 40 HGAB Cc1ccc2c(c1)O[C@H](C(=O)Nc1ccc3c4c(cccc14)CC3)CN2S(C)(=O)=O 224489095 HGVYNILPHFUAHX-NRFANRHFSA-N 422.506 3.413 0 40 HGAB COC(=O)c1cc(S(=O)(=O)NCc2ccccc2CN2CCCCC2)ccc1C 224850404 QXFTYCULSSVQEW-UHFFFAOYSA-N 416.543 3.246 0 40 HGAB CSc1nnc(NC(=O)CCCN(c2cccc(Cl)c2)S(C)(=O)=O)s1 225198922 QUOWXNIBSGGISQ-UHFFFAOYSA-N 420.969 3.098 0 40 HGAB C[C@@H](CC(C)(C)c1ccccc1)NC(=O)COc1ccc(N(C)S(C)(=O)=O)cc1 225646525 DAHSYLQGRDIEJC-KRWDZBQOSA-N 418.559 3.334 0 40 HGAB Cn1ccnc1C1(O)[C@H]2CCC[C@H]1CN(Cc1cccc(OC[C@H]3CCCO3)c1)C2 248153716 VBYBSMIWUJDFDW-JAXLGGSGSA-N 411.546 3.098 0 40 HGAB O=C(NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccc(Oc2ncccn2)cc1 257254996 KFRKZFIGAVJGCW-UHFFFAOYSA-N 423.372 3.406 0 40 HGAB Cc1c(F)cccc1NC(=O)CN1CC[C@@]2(CCCN2Cc2ccccc2)[C@@H](O)C1 257294110 QSMKZWOKUCRBFK-UPVQGACJSA-N 411.521 3.174 0 40 HGAB Cc1ccc(-c2cnc(N(C)C)nc2[C@H]2CCCN(C(=O)Cn3cccn3)C2)cc1 257319367 VSBOUFOVCHHGON-IBGZPJMESA-N 404.518 3.121 0 40 HGAB COc1ccc(NC(C)=O)c(NC(=O)CN2C[C@H]3CC[C@H](Cc4ccccn4)[C@H]3C2)c1 257341156 ZJBKCAOCXHLWGF-DBXWQHBBSA-N 422.529 3.188 0 40 HGAB CC(=O)N(C)c1ncc(-c2nc(C(=O)N(C)Cc3ccccn3)c3ccccn23)s1 306134286 NHTLXAHOGZOOHC-UHFFFAOYSA-N 420.498 3.108 0 40 HGAB CC(C)NS(=O)(=O)c1ccc(CCC(=O)N[C@H](C)CCc2ccccc2)cc1 408584174 MQILRIJNOXETKS-GOSISDBHSA-N 402.560 3.443 0 40 HGAB CCCCCNC(=O)COc1ccc(S(=O)(=O)Nc2cccc(OC)c2)cc1 408588439 GHPQFYSHKAZUBA-UHFFFAOYSA-N 406.504 3.181 0 40 HGAB CC1(C)Cc2cccc(OCC(=O)NCC3CCN(CC(F)(F)F)CC3)c2O1 474232096 MWNAKWAQSDXOFD-UHFFFAOYSA-N 400.441 3.169 0 40 HGAB COCCNC(=O)c1c[nH]nc1[C@H]1CCCN([C@@H](C)c2ncc(C(C)(C)C)o2)C1 509132651 RCEOHFVNYBROLU-GJZGRUSLSA-N 403.527 3.012 0 40 HGAB O=C(C1CCC1)N1CCCCC2(CO)CCN(CC2)Cc2ccccc2OCC1 643575212 KMAMYILDPNALLH-UHFFFAOYSA-N 400.563 3.453 0 40 HGAB C=CC(=O)Nc1ccc(O)c(C(=O)N[C@@]23CCC[C@H]2N(C(=O)OC(C)(C)C)CC3)c1 1633957637 AMCWSVYJGPTDFD-VGOFRKELSA-N 415.490 3.179 0 40 HGAB CCN1CCN(C(=O)c2ncc[nH]2)C[C@@H](Cc2ccc(-c3ccccc3F)cc2)C1=O 1848354147 SNSSZVCDEVETMI-LJQANCHMSA-N 420.488 3.379 0 40 HGAB CC(C)(C)c1ccc(OC[C@@H]2CCN(C(=O)c3cncc(Br)c3)C2)nn1 1888856622 LMINBZNDOUGXEU-CYBMUJFWSA-N 419.323 3.473 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3Cl)CC2)cc1 784009 PGWXPUQDWNBLKK-UHFFFAOYSA-N 408.907 3.388 0 40 HGAB CCN(CC)CCCNC(=O)c1nc2c3c4c(sc3nc(C)n2n1)CC[C@H](C)C4 2214590 GZWGKUUWTLCKSB-ZDUSSCGKSA-N 414.579 3.234 0 40 HGAB CCc1cccc(CC)c1NC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 2726346 FDTUIRYJLZOCPH-UHFFFAOYSA-N 420.506 3.224 0 40 HGAB O=C(NCCc1ccc(Cl)cc1)c1ccc(Cn2nnc3ccccc3c2=O)cc1 2932858 CTTPCAJKEVGIGI-UHFFFAOYSA-N 418.884 3.466 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccc(C(C)C)cc1 3214501 ZCYORAQWZNZHMM-UHFFFAOYSA-N 402.516 3.392 0 40 HGAB CC(=O)N[C@@H](CC(=O)OCC(=O)Nc1ccc(OC(F)(F)F)cc1)c1ccccc1 3339048 JVSNNYMKTHHGDW-KRWDZBQOSA-N 424.375 3.334 0 40 HGAB CCCCC(=O)N[C@@]1(C(F)(F)F)C(=O)N(Cc2ccccc2)C(C)=C1C(=O)OC 4689972 UKYLRPTWNRZVBK-LJQANCHMSA-N 412.408 3.083 0 40 HGAB O=C(COc1ccc(Br)cc1)NC(=S)Nc1ccccc1C(=O)O 5899419 FCHWOWBKPGCFRF-UHFFFAOYSA-N 409.261 3.039 0 40 HGAB CCOc1ccccc1NC(=O)Cn1nnc(-c2ccccc2Br)n1 6400601 FFYIDSAJCHSCEG-UHFFFAOYSA-N 402.252 3.140 0 40 HGAB Cc1ccc(-n2c(SCn3nnc4ccccc4c3=O)nnc2N2CCCC2)cc1 7256598 NVCIGWKQFRQUAL-UHFFFAOYSA-N 419.514 3.031 0 40 HGAB O=C(/C=C/c1cccs1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 7595184 HBHSHFQMDDQGFZ-CSKARUKUSA-N 416.568 3.173 0 40 HGAB CCSc1nnc(NC(=O)c2nn(-c3ccccc3Cl)c(C)cc2=O)s1 7667469 JVEJGCWRJQASNY-UHFFFAOYSA-N 407.908 3.410 0 40 HGAB COc1ccc([C@H]2CCCN2[C@H](C(=O)N2CCOCC2)c2ccccc2)c(OC)c1 7741528 IDKWMHUXCDHLCE-GGAORHGYSA-N 410.514 3.441 0 40 HGAB O=C(CN1C(=O)COc2ccccc21)N1CCC(c2nc3ccccc3s2)CC1 8071542 YVKOQWNURVWWPS-UHFFFAOYSA-N 407.495 3.428 0 40 HGAB O=C(Nc1cccc2c1C(=O)NC2=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 8324381 PMXYZPOKNAVYCN-UHFFFAOYSA-N 409.405 3.070 0 40 HGAB Cc1nnnn1/C(=C/c1ccccc1)C(=O)OCC(=O)Nc1ccccc1C(C)(C)C 8511821 BUIPQWSDKRVQID-XSFVSMFZSA-N 419.485 3.459 0 40 HGAB Nc1c([C@](O)(c2nc3ccccc3s2)C(F)(F)F)cnn1Cc1ccncc1 8726382 QTGRNXRGLIJCPU-KRWDZBQOSA-N 405.405 3.317 0 40 HGAB Cc1ccc(NC(=O)CNC(=O)c2ccc(Br)o2)c(Br)c1 8754796 VMJWNSVSMWHRKQ-UHFFFAOYSA-N 416.069 3.482 0 40 HGAB Cc1ccc(Cl)cc1NC(=O)COC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 8760648 NNCKFPPZLYFFCV-INIZCTEOSA-N 400.862 3.179 0 40 HGAB O=c1c2ncccc2n(Cc2ccc(C(F)(F)F)cc2)c(=O)n1Cc1ccncc1 9001671 DUSZYNGWKIMYGH-UHFFFAOYSA-N 412.371 3.069 0 40 HGAB O=S(=O)(c1cccc(Cl)c1)c1nnn2c1nc(N1CCCC1)c1sccc12 9116950 AKLBRVFZUOPHIW-UHFFFAOYSA-N 419.919 3.425 0 40 HGAB O=C(Oc1ccc2c(-c3cc4ccccc4oc3=O)cc(=O)oc2c1)N1CCOCC1 9517223 PFIFGWUGWIDCFI-UHFFFAOYSA-N 419.389 3.397 0 40 HGAB biogenic COc1ccc(N([C@@H](C)C(=O)N(C)Cc2ccccc2)S(C)(=O)=O)cc1Cl 10338310 ZNAYLVAMCDFFNS-AWEZNQCLSA-N 410.923 3.162 0 40 HGAB O=C(CN(Cc1ccco1)[C@H]1CCS(=O)(=O)C1)Nc1ccc(Cl)c(Cl)c1 10833688 ZYPJEIWMINACLT-ZDUSSCGKSA-N 417.314 3.214 0 40 HGAB O=C(NCCCn1nc(-c2ccc(F)cc2)ccc1=O)c1ccc(Br)o1 11738404 ZRJCVVJPBCPNFP-UHFFFAOYSA-N 420.238 3.225 0 40 HGAB CC(C)[C@H](NC(=O)C1CCCCC1)C(=O)O[C@@H](C)C(=O)Nc1ccc(Cl)cn1 12016797 LUROFNLVLMJNST-GUYCJALGSA-N 409.914 3.326 0 40 HGAB COc1cc(CCC(=O)N2CCC3(CC2)CNC(=O)c2ccccc2O3)ccc1C 12225431 ZYRVPTOWTMXHIX-UHFFFAOYSA-N 408.498 3.120 0 40 HGAB O=C(N[C@H](Cc1ccsc1)c1nccs1)[C@@H]1CC(=O)N(Cc2ccccn2)C1 12227026 IGFZGVGJELYPSN-NVXWUHKLSA-N 412.540 3.048 0 40 HGAB COc1ccc2c(c1)[C@H]1C[C@@](C)(O2)N(C)C(=O)[C@@H]1S(=O)(=O)c1ccc(C)c(C)c1 12438038 VNXZQQDHECMJME-SYYKKAFVSA-N 415.511 3.209 0 40 HGAB CCCCc1nc2ccccc2n1Cc1cccc(S(=O)(=O)N2CCOCC2)c1 12520503 IAVLSSFXKUCKEC-UHFFFAOYSA-N 413.543 3.448 0 40 HGAB CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)N2CC[C@@H]3CCCC[C@@H]3C2)c1 12606277 KBTYRGWEUHJUTI-ZWKOTPCHSA-N 419.591 3.189 0 40 HGAB Cc1nc(-c2ccc(CNC(=O)CNC(=O)c3ccc(Br)o3)o2)cs1 12619602 FCOFWVMESRTCLI-UHFFFAOYSA-N 424.276 3.113 0 40 HGAB CC(C)c1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccc2c(c1)OCCCO2 12764989 VBYAVRVRXXWOML-UHFFFAOYSA-N 418.515 3.231 0 40 HGAB COC(=O)C[C@H](NC(=O)CSCC(=O)Nc1ccc(Cl)cc1)c1ccccc1 12765110 FCDUMUNYRWIKFK-KRWDZBQOSA-N 420.918 3.432 0 40 HGAB CCOC(=O)Cc1csc(NC(=O)Cc2cc(-c3cccc(OC)c3)on2)n1 12865955 CDNVHAJZJWFIFH-UHFFFAOYSA-N 401.444 3.094 0 40 HGAB CCn1c(-c2ccccc2)nn(CN(CC(C)C)[C@@H]2CCS(=O)(=O)C2)c1=S 12924260 BCOLQKZWBKTQGT-QGZVFWFLSA-N 408.593 3.204 0 40 HGAB CC(C)[C@@H](C)NC(=O)COC(=O)c1ccccc1SCC(=O)NCc1ccco1 13038898 YZWBMRAELPAOHS-OAHLLOKOSA-N 418.515 3.006 0 40 HGAB COc1ccc(N2C[C@@H](c3nnc(NC(=O)c4ccccc4F)s3)CC2=O)cc1 13944274 DWZWWNAMIBGZMP-LBPRGKRZSA-N 412.446 3.459 0 40 HGAB COc1ccccc1O[C@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 14006521 DPFMWVDPBJXUKG-MRXNPFEDSA-N 418.515 3.276 0 40 HGAB O=C(NC[C@H](c1ccco1)N1CCCC1)c1cc(-c2ccc3c(c2)OCCO3)on1 15859675 TZPRWENEJMQZKP-QGZVFWFLSA-N 409.442 3.273 0 40 HGAB CCOC(=O)c1cc(NC(=O)c2cccnc2N2CCCC2)cc(C(=O)OCC)c1 18119654 FBRAMKGPWLJRNK-UHFFFAOYSA-N 411.458 3.288 0 40 HGAB COc1ccc(CC(=O)N2CC[C@@H](C(=O)c3cnn(-c4ccc(C)cc4)c3N)C2)cc1 19213266 FZXCOIRUUXQNGJ-GOSISDBHSA-N 418.497 3.045 0 40 HGAB CS(=O)(=O)c1cccnc1[C@H]1CCCN(Cc2cc3c(cc2Cl)OCO3)C1 19573532 RERWHHKAIQEVJY-ZDUSSCGKSA-N 408.907 3.247 0 40 HGAB CS(=O)(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc(N3CCCC3=O)cc2)c1 20108433 GSMOSNVOLAQAGZ-UHFFFAOYSA-N 407.879 3.091 0 40 HGAB COCCSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)CCN(C)C3 20358921 QJWOMNCFMGMBOZ-UHFFFAOYSA-N 417.556 3.182 0 40 HGAB Cc1csc(CN2CCN(C(=O)COc3ccc(Cl)cc3Cl)CC2)n1 21687016 AONIBEHDHCKBSB-UHFFFAOYSA-N 400.331 3.482 0 40 HGAB COc1ccc(F)cc1S(=O)(=O)N(C)CC(=O)N[C@@H](C)c1cc(C)c(C)cc1C 22539262 VDAPZMZYQAECKL-INIZCTEOSA-N 422.522 3.257 0 40 HGAB CCN(CC)CCNC(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(C)c2)cc1 22704717 JVEGJYQNRXULIG-UHFFFAOYSA-N 407.511 3.007 0 40 HGAB Cc1nn(-c2ccccc2)c(C)c1[C@@H]1C(=O)NCCN1C(=O)Nc1ccccc1F 32869830 KKVMUNIHIPJKIZ-HXUWFJFHSA-N 407.449 3.333 0 40 HGAB COc1ccc(CNC(=O)CN(C(=O)c2csnn2)c2cc(C)ccc2C)cc1 35289223 PWCRBMDXLRKSAS-UHFFFAOYSA-N 410.499 3.127 0 40 HGAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N2CCN(c3ccccc3F)CC2)c1C 36384973 RKTAFYQUJSROKT-INIZCTEOSA-N 401.482 3.341 0 40 HGAB O=C(COc1ccc2c(=O)c(-c3ccc(Cl)cc3)coc2c1)N1CCC[C@@H]1CO 36585629 VMARFTXBWZRKMZ-MRXNPFEDSA-N 413.857 3.476 0 40 HGAB O=S(=O)(NCCCN1CCO[C@H](c2ccccc2)C1)c1ccc2c(c1)CCCC2 36700278 GSNSRHODZAYKDH-QHCPKHFHSA-N 414.571 3.307 0 40 HGAB O=C(NCCOc1ccc2nnc(-c3ccccc3)n2n1)c1ccc2ncsc2c1 38499806 LWRMYVIXPIIGTQ-UHFFFAOYSA-N 416.466 3.210 0 40 HGAB COc1cc([C@@H](C)NC(=O)c2ccccc2OCC(N)=O)ccc1OCC(C)C 40087553 AIRXQYBLXDJSIO-OAHLLOKOSA-N 400.475 3.085 0 40 HGAB O=C1CN(c2ccc(NC(=O)C3(c4ccc(F)cc4)CCC3)cc2Cl)CCN1 40134030 NGLCUIRWPCSBOC-UHFFFAOYSA-N 401.869 3.476 0 40 HGAB Cc1nn(-c2ccccc2F)c(C)c1CC(=O)N(C)Cc1nc2ccccc2c(=O)[nH]1 40143776 QABAJCXXFYEVEB-UHFFFAOYSA-N 419.460 3.066 0 40 HGAB CCN(CC)S(=O)(=O)c1cc(C(=O)NCCc2c[nH]c3ccccc23)ccc1F 40159391 FGINTULSPPHERO-UHFFFAOYSA-N 417.506 3.310 0 40 HGAB O=C1COc2cc(C(=O)N3CCC(C(=O)c4cc(F)ccc4F)CC3)ccc2N1 48479450 YAUCERRXRFVJTJ-UHFFFAOYSA-N 400.381 3.031 0 40 HGAB COc1ccc(-c2cc3nn(CC(=O)Nc4cccc(C)c4C)c(=O)n3c(C)n2)cc1 49407176 GIHGUGJNNUIVPZ-UHFFFAOYSA-N 417.469 3.131 0 40 HGAB CCCS(=O)(=O)[C@H](C)C(=O)N1CCc2[nH]c3c(Br)cccc3c2C1 55731324 FZKQFBUHBQYFJZ-LLVKDONJSA-N 413.337 3.028 0 40 HGAB Cc1ccccc1N(CC(=O)NCCOc1cccc2ccccc12)S(C)(=O)=O 55775388 ZDEOCGHLGNIXLP-UHFFFAOYSA-N 412.511 3.109 0 40 HGAB COc1cc(NC(=O)Cn2nc(-c3ccc(C)c(C)c3)ccc2=O)cc(OC)c1OC 57427521 KCXBXIIJYXUWIA-UHFFFAOYSA-N 423.469 3.192 0 40 HGAB Cc1cccc(-n2c(=O)c3sccc3n(CC(=O)N(C)c3ccccc3)c2=O)c1 57490097 CHIJEKXXUBAVTB-UHFFFAOYSA-N 405.479 3.185 0 40 HGAB CC(=O)N1CCC[C@H](c2nc(C)c3c(n2)N(CCCc2ccccc2)C(=O)CC3)C1 72371133 IQXVZXFQTQOADE-FQEVSTJZSA-N 406.530 3.423 0 40 HGAB Cc1nccn1-c1ccc([C@@H](C)NS(=O)(=O)c2ccc3oc(=O)ccc3c2)cc1 79048546 JRJMFWGGLPQOSK-CQSZACIVSA-N 409.467 3.327 0 40 HGAB COC(=O)[C@H](C)NC(=O)[C@@H]1c2ccccc2C(=O)N(Cc2ccccc2)C12CCCC2 79493544 ROEIHJVONRHTHS-UWJYYQICSA-N 420.509 3.417 0 40 HGAB O=S(=O)(c1ccc2c(c1)OCCO2)N1CCC(CSCc2ccco2)CC1 90608420 SZDPYJFTCDZNPV-UHFFFAOYSA-N 409.529 3.385 0 40 HGAB CCc1c(C)nc2n(c1=O)C[C@@H](C(=O)Nc1cccc(Br)c1)CS2 90609792 DVENVVVGWSXSHQ-LLVKDONJSA-N 408.321 3.237 0 40 HGAB Cc1ccc(OCCN(C)C(=O)Nc2cc(C(N)=O)ccc2-n2cc(C)cn2)cc1 95460725 VKNQSFKVPZTSPA-UHFFFAOYSA-N 407.474 3.131 0 40 HGAB Cc1cc(C)nc(Nc2ccc(C(=O)N3CCN(CCc4ccccn4)CC3)cc2)n1 95473165 OBCIGYYUDXPPLE-UHFFFAOYSA-N 416.529 3.233 0 40 HGAB Cc1cc(N2C(=O)[C@@H]3[C@@H]4CC[C@H](O4)[C@@H]3C2=O)nn1Cc1ccc(Cl)c(Cl)c1 101590754 ZQSKJYWXOITBTQ-NXNVCVFFSA-N 406.269 3.213 0 40 HGAB CC[C@@H](C(=O)NCCSc1ccccc1)N(c1ccc(OC)cc1)S(C)(=O)=O 220641094 SFWZAMWUZWSBBP-IBGZPJMESA-N 422.572 3.148 0 40 HGAB COC(=O)c1cn(C(=O)c2ccc(N(C)S(C)(=O)=O)cc2Cl)c2ccccc12 222639633 ASOCSUJOYODNDP-UHFFFAOYSA-N 420.874 3.166 0 40 HGAB CCC(=O)N(Cc1ccc(Cl)cc1)[C@@H](Cc1ccccc1)C(=O)NCCCO 223122668 WEAAPIUQJDCCDB-FQEVSTJZSA-N 402.922 3.189 0 40 HGAB CCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CSCc1ccc(OC)cc1 223505910 FEZSRXKMDXBGHZ-KRWDZBQOSA-N 400.544 3.482 0 40 HGAB CCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1ccc2c(c1)OCCO2 223829568 LJSNGIAJYPVCKC-MRXNPFEDSA-N 414.477 3.083 0 40 HGAB CC[C@@H](C(=O)NCCOc1cc(C)ccc1C)N(c1ccc(C)cc1)S(C)(=O)=O 224018185 JXFINMCNQRTKAF-FQEVSTJZSA-N 418.559 3.352 0 40 HGAB CCOc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(Br)cc2)cc1 224583292 MBWAKDFXXAEJBS-UHFFFAOYSA-N 414.277 3.128 0 40 HGAB CN(C)S(=O)(=O)c1cccc(C(=O)NCCSCc2ccccc2Cl)c1 225418546 XVSVHUYPTNZIIM-UHFFFAOYSA-N 412.964 3.254 0 40 HGAB CNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)COc1ccccc1F 225494802 XQUPKEJUQOQBTD-CYBMUJFWSA-N 423.282 3.130 0 40 HGAB Cc1cc(Cc2ccccc2F)cc([C@@H]2CN(C(=O)c3ccc(N)nc3)CCO2)n1 257254919 KFFTYTBSKYDHBT-NRFANRHFSA-N 406.461 3.311 0 40 HGAB C[C@@H](Oc1cccc(F)c1)C(=O)N1CCC(c2cncc(Nc3cnccn3)n2)CC1 257311983 ULWMAQDNRCTHGM-OAHLLOKOSA-N 422.464 3.323 0 40 HGAB COc1ccc(-c2nnc3n(c2=O)CC[C@@]32CCN(Cc3ccc(C)s3)C2)cc1 306137086 QLGFBIAQLNRSEE-JOCHJYFZSA-N 408.527 3.231 0 40 HGAB c1cc(N2CCOCC2)n2cc([C@@H]3CN(Cc4ccoc4)CCN3CC3CC3)nc2c1 306138122 RPVKGBMPHFTJHH-QFIPXVFZSA-N 421.545 3.033 0 40 HGAB CCc1ccc(CN2C[C@H](c3cn(C(C)C)cn3)[C@@]3(CCN(CCOC)C3=O)C2)cc1 306143080 XSRUACVSRXWUKU-RCZVLFRGSA-N 424.589 3.491 0 40 HGAB CCCCCNC(=O)C1CCN(S(=O)(=O)c2cc(Cl)ccc2OC)CC1 408556178 CMHKWFADSRZODZ-UHFFFAOYSA-N 402.944 3.056 0 40 HGAB CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1 408598393 ZTFTYCBGWFFZBA-JTQLQIEISA-N 403.287 3.308 0 40 HGAB CCCNC(=O)CN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1 409142710 ATYHKFLEBGNQAQ-UHFFFAOYSA-N 410.923 3.379 0 40 HGAB CCc1ccccc1NC(=O)CSc1nnc(CNC(=O)c2ccccc2)n1C 409156405 SFBVOZGYOJOBHU-UHFFFAOYSA-N 409.515 3.038 0 40 HGAB COc1cc2c(cc1OC)CC(=O)N(CCC(=O)N1CCc3ccccc3C1)C=C2 524732211 LGZDIPDFFFKQCK-UHFFFAOYSA-N 406.482 3.034 0 40 HGAB biogenic O=C1CCc2cc(Cl)c(S(=O)(=O)N3CCC[C@H]3CC(=O)c3ccco3)cc2N1 544838380 TUEODJMIJFJCHR-ZDUSSCGKSA-N 422.890 3.244 0 40 HGAB Cc1noc(C)c1S(=O)(=O)N1CCC(COc2cccc(C(F)(F)F)n2)CC1 585532292 PCGCIEMDQJLQEG-UHFFFAOYSA-N 419.425 3.185 0 40 HGAB COc1cccc(CN2CCC3(CC2)CC[C@@]2(C(=O)N4CCCC4)CN(C)C[C@@H]32)c1 2055795814 BQPHJAXFKHWFDF-WIOPSUGQSA-N 411.590 3.242 0 40 HGAB COC(=O)c1cc(NC(=O)c2ccc(Cn3cc(Cl)cn3)o2)cc(C(=O)OC)c1 800712 PPXSKTROKHFPHW-UHFFFAOYSA-N 417.805 3.003 0 40 HGAB COc1ccc(Cl)cc1NC(=O)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 1324761 MVIYDBZQTDEDLO-OAHLLOKOSA-N 424.906 3.058 0 40 HGAB Cc1nn(Cc2ccccc2)c(Cl)c1/C=C/C(=O)O[C@H](C)C(=O)N1CCCC1 2621849 RVFWPJKVAIYSRI-SIFUEBAJSA-N 401.894 3.461 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1cccc2ccccc12 3549137 ZQEZCZVCKNUPMG-UHFFFAOYSA-N 410.495 3.421 0 40 HGAB COCCCNC(=S)N(Cc1ccco1)Cc1cc2cc(OC)ccc2[nH]c1=O 4132197 LGGFEXUOKHOSKQ-UHFFFAOYSA-N 415.515 3.043 0 40 HGAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2[nH]c(C)c(C(C)=O)c2C)c1C 4329082 XIMUPTWIKAOKMT-AWEZNQCLSA-N 402.447 3.384 0 40 HGAB CCCOc1ccc(N2C[C@@H](C(=O)Nc3ccc(N4CCOCC4)cc3)CC2=O)cc1 4419111 GTGJVRQXIFNGMF-SFHVURJKSA-N 423.513 3.304 0 40 HGAB O=C1C[C@H](NCC2CCN(Cc3cccs3)CC2)C(=O)N1c1ccc(F)cc1 4784435 QUSFCZKTKIMQAB-IBGZPJMESA-N 401.507 3.021 0 40 HGAB O=C(CSc1nccn(-c2ccc(F)c(F)c2)c1=O)NCc1ccc(F)cc1 4853384 FOGWYDBCOFBKGA-UHFFFAOYSA-N 405.401 3.058 0 40 HGAB C[C@@H](Nc1nc2c(c(=O)[nH]c(=O)n2C)n1CCCc1ccccc1)c1ccccc1 5054116 YJJOOBTXUWJLHF-MRXNPFEDSA-N 403.486 3.229 0 40 HGAB CC1CCN(C(=O)[C@H](C)Sc2nc3ccccc3c(=O)n2C[C@@H]2CCCO2)CC1 5129728 WBMYFZAZAINJIH-IRXDYDNUSA-N 415.559 3.315 0 40 HGAB COc1cc(S(=O)(=O)NCCOc2ccc(Cl)cc2)c(OC)cc1Cl 5661011 WOXBGUPNXXDYKW-UHFFFAOYSA-N 406.287 3.368 0 40 HGAB O=C(COc1ccc(S(=O)(=O)N2CCCC2)cc1Cl)NC1CCCCCC1 6224632 AQOVVOUPAKRMAO-UHFFFAOYSA-N 414.955 3.342 0 40 HGAB COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NC[C@H]2CCCO2)c(OC)c1 6590875 IPPMRRMXDQDKHL-GOSISDBHSA-N 407.470 3.465 0 40 HGAB CCc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccccc3Cl)CC2=O)cc1 6653066 OAKYLJDCLPBPHA-HNNXBMFYSA-N 400.862 3.437 0 40 HGAB CCCOc1cccc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCCO)c1 6752900 JGFJJAYMDYWLQC-QFIPXVFZSA-N 407.470 3.499 0 40 HGAB Cc1ccsc1CN(C(=O)COc1cccc(C)c1C)[C@H]1CCS(=O)(=O)C1 6810245 FOTYJGCKKIQOJC-KRWDZBQOSA-N 407.557 3.268 0 40 HGAB C[C@H]1CCCC[C@H]1NC(=O)NC(=O)CSc1nnc(-c2ccccc2F)n1C 6947108 MAILLRAAGHTYHU-SWLSCSKDSA-N 405.499 3.118 0 40 HGAB Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)Nc4ccc(C(N)=O)cc4)cc3C2=O)c1 7769821 MPNYEGXHJDXIPK-UHFFFAOYSA-N 413.433 3.455 0 40 HGAB CN(CC(=O)Nc1ccc(F)cc1)C(=O)c1ccc(Cn2nnc3ccccc32)cc1 7962788 QEKGOPMEHIFQOP-UHFFFAOYSA-N 417.444 3.329 0 40 HGAB Cc1ccc(S(=O)(=O)CCC(=O)N(C)CC(=O)Nc2c(C)cc(C)cc2C)cc1 8087185 RTJIDNRULKXXAK-UHFFFAOYSA-N 416.543 3.181 0 40 HGAB COc1ccccc1N1CCN(c2ncnc3c2cnn3-c2ccc(C)cc2)CC1 8583017 AQYMZJOADURYRZ-UHFFFAOYSA-N 400.486 3.459 0 40 HGAB O=C1[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccccc3)N2C(=O)CN1Cc1ccncc1 8964902 PSQRHEOLMCGTGS-WIOPSUGQSA-N 422.488 3.448 0 40 HGAB biogenic CC/C(Nc1ccc(OC)cc1OC)=C1/C(=O)NC(=O)N(C2CCCCC2)C1=O 9111135 JURSWXLAPRCPEO-OBGWFSINSA-N 401.463 3.191 0 40 HGAB COc1c(C)cc(S(=O)(=O)Nc2ccc3c(c2)OCC(C)(C)C(=O)N3C)cc1C 9165791 QYLQTZDRCYXACQ-UHFFFAOYSA-N 418.515 3.494 0 40 HGAB COc1ccc(N2C(=O)[C@H]3[C@@H](C(=O)c4ccc(Cl)cc4)N4CCC[C@@H]4[C@@H]3C2=O)cc1 9345491 USJLSKUJLJCMPX-WCIQWLHISA-N 424.884 3.184 0 40 HGAB COc1ccc(S(=O)(=O)Nc2nc(CC(=O)NC3CCCCCC3)cs2)cc1 9828628 PHTSFGOXUNEPAE-UHFFFAOYSA-N 423.560 3.334 0 40 HGAB O=C(NCc1ccccc1)C1CCN(C(=O)c2cnn(Cc3ccccc3)c2)CC1 9980840 KRNLDNUECGRCEL-UHFFFAOYSA-N 402.498 3.100 0 40 HGAB CCc1nnc2sc(-c3ccc(OC)c(NC(=O)COc4ccccc4)c3)nn12 10010326 WFIUAFCDRHOINC-UHFFFAOYSA-N 409.471 3.441 0 40 HGAB CN(C(=O)C[C@@H]1CSc2nc3c(cnn3-c3ccccc3)c(=O)n21)c1ccccc1 11613352 SKTJECCOKPDFBZ-QGZVFWFLSA-N 417.494 3.282 0 40 HGAB CN(C)CCNC(=O)c1nn(-c2ccc(F)cc2)cc1OCc1ccc(F)cc1 11694450 SQJZHTRZJZJVTR-UHFFFAOYSA-N 400.429 3.021 0 40 HGAB CCOc1ccccc1NC(=O)CN1CCN(c2nccn2-c2ccccc2F)CC1 11695775 GVBLYRFAUIZZGP-UHFFFAOYSA-N 423.492 3.171 0 40 HGAB COc1ccc(C(=O)N2C[C@H]3CCCN(Cc4cc(OC)c5c(c4)OCO5)[C@H]3C2)cc1 12188430 GDLYKZPITSPOIB-QUCCMNQESA-N 424.497 3.169 0 40 HGAB Cc1nccc([C@@H]2CN(C(=O)Cc3ccc4c(c3)OCO4)C[C@H]2c2ccccc2)n1 12235190 BUEOKQQZYWUDRP-VQTJNVASSA-N 401.466 3.466 0 40 HGAB O=C(CCn1[nH]c(=O)c2ccccc2c1=O)N[C@H](c1ccccc1)c1cccs1 12270609 JSIZXSXNHUOHSM-HXUWFJFHSA-N 405.479 3.047 0 40 HGAB Cc1ccc(NC(=O)[C@H]2Nc3cc(C(F)(F)F)ccc3S(=O)(=O)N2)cc1Cl 12414575 DWWBFLKZILDWQQ-AWEZNQCLSA-N 419.812 3.336 0 40 HGAB CN(CC(=O)Nc1ccc(Oc2ccc(Br)cc2)cc1)CC(=O)N(C)C 12768414 OZFFIYUZOHJZOK-UHFFFAOYSA-N 420.307 3.200 0 40 HGAB O=C(CNC(=O)c1ccco1)Nc1nnc(SCc2ccc(Cl)cc2)s1 12792797 YCUAXXAOVISBKP-UHFFFAOYSA-N 408.892 3.445 0 40 HGAB C[C@H](C(=O)N1CCN(Cc2ccccc2)CC1)N1CCC(C(=O)c2ccccc2)CC1 12795576 LRHQWWSYYOQXOP-OAQYLSRUSA-N 419.569 3.314 0 40 HGAB CCCN(CC(=O)Nc1ccccc1C)C(=O)c1ccc(=O)n(Cc2ccccc2)n1 12885271 LZFXWKCAJUSJQS-UHFFFAOYSA-N 418.497 3.091 0 40 HGAB C[C@H](c1nc(C(C)(C)C)no1)N1CCN(C(=O)c2cccc(OC(F)F)c2)CC1 12910112 DTRXSOPVQOPKLY-CYBMUJFWSA-N 408.449 3.488 0 40 HGAB C[C@]1(c2ccccc2)NC(=O)N(NC(=O)c2cccnc2Sc2ccccc2)C1=O 13014697 JRSHNWHQULYKHA-JOCHJYFZSA-N 418.478 3.345 0 40 HGAB CCOc1ccccc1NC(=O)CN(CC)Cc1nc2cc(Cl)ccc2c(=O)[nH]1 13096348 VGFWAYCNEJQPBV-UHFFFAOYSA-N 414.893 3.436 0 40 HGAB O=C(CN1CCN(c2cccc(C(F)(F)F)c2)CC1)Nc1cccc2nsnc12 13324570 RSDJUAXYOTUJSX-UHFFFAOYSA-N 421.448 3.471 0 40 HGAB CCS(=O)(=O)N1CCc2cc(C3=NN=C(Nc4ccccc4)SC3)ccc21 15404667 KPZVZKWRVZVZHA-UHFFFAOYSA-N 400.529 3.318 0 40 HGAB COc1ccc(S(=O)(=O)NCCC(=O)Nc2ccc(C(F)(F)F)cc2)cc1 15625675 GGGDYGUIFIXOAY-UHFFFAOYSA-N 402.394 3.021 0 40 HGAB O=C(CN1c2cccc3cccc(c23)S1(=O)=O)NCc1ccc(OC(F)F)cc1 15812323 TZGCDLJUBHXCJX-UHFFFAOYSA-N 418.421 3.266 0 40 HGAB CCNS(=O)(=O)c1cc(C(=O)Nc2cccc(Br)c2)ccc1OC 16681862 PVCYDAOYXHVGJP-UHFFFAOYSA-N 413.293 3.008 0 40 HGAB C[C@@H](Oc1cccc(F)c1)C(=O)N1CCN([C@@H](c2ccccc2)c2nccn2C)CC1 19079078 ROXDDMLFTRKKQE-GCJKJVERSA-N 422.504 3.260 0 40 HGAB Cc1ccc(C(=O)N2CCc3nc([C@@H]4CCCN(C(=O)C(C)C)C4)nc(O)c3C2)cc1 19135488 JZKFMPAEFWDQPE-GOSISDBHSA-N 422.529 3.051 0 40 HGAB Cc1cccc(CN2C[C@@H](C(=O)NC(C)C)[C@H](c3ccnc(N4CCCC4)n3)C2)c1 19235080 WYQAUGZZCKQUCI-NHCUHLMSSA-N 407.562 3.125 0 40 HGAB Cc1ccc(C)c(C(=O)[C@@H]([C@@H](c2ccccc2)N2CCOCC2)N2CCOCC2)c1 19366001 NJOYXILDEFCESZ-DNQXCXABSA-N 408.542 3.260 0 40 HGAB CCN(CC)c1ccc2cc(C(=O)Nc3cccnc3N3CCOCC3)c(=O)oc2c1 19526505 WCEPAYJWWZSGES-UHFFFAOYSA-N 422.485 3.123 0 40 HGAB CC1CCN(c2ccc(C(=O)NCCS(=O)(=O)c3ccc(F)cc3)cc2)CC1 19715602 DDOBIJOKIHAZNU-UHFFFAOYSA-N 404.507 3.266 0 40 HGAB COc1ccc(/C=C2\SC(=O)N(CC(=O)OC(C)(C)C)C2=O)c(OC)c1OC 20289890 XHEMMWRGHNAGFT-LCYFTJDESA-N 409.460 3.090 0 40 HGAB COC(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N(c2ccccc2)C12CCCCC2 20718130 UMGRNLGEGHLBEU-OAQYLSRUSA-N 406.482 3.423 0 40 HGAB CCN(CC)C(=O)c1cccc(NC(=O)COc2cccc(N3CCCC3=O)c2)c1 21708369 CVYZBWIPROJNST-UHFFFAOYSA-N 409.486 3.313 0 40 HGAB CCN(Cc1ccc(Br)s1)C(=O)Cn1nnc(-c2ccccc2)n1 22017093 BTSUQLMCVVUNPD-UHFFFAOYSA-N 406.309 3.213 0 40 HGAB COc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](C)c2cc(C)c(C)cc2C)cc1C 22536118 GIJSUXQNAKVRFR-SFHVURJKSA-N 418.559 3.427 0 40 HGAB CCOc1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccccc3F)CC2)cc1 24612951 CQOHEWXSGWSQRO-UHFFFAOYSA-N 420.506 3.405 0 40 HGAB COCCN(Cc1ccco1)C(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 25097490 GRGICWVNYSLIEQ-AWEZNQCLSA-N 421.291 3.070 0 40 HGAB O=C(NCC1(N2CCOCC2)CCCCC1)c1ccc(OCc2ccncc2)cc1 27580183 UEBNLYUJLHVPEX-UHFFFAOYSA-N 409.530 3.426 0 40 HGAB O=C(/C=C/c1cnn(-c2ccccc2)c1)NCc1ccc(CN2CCOCC2)cc1 29882264 YYGKCVZOSAWYSW-ZHACJKMWSA-N 402.498 3.034 0 40 HGAB C[C@H]1CN(C(=O)c2cnn(-c3ccc(C(F)(F)F)cn3)c2C(F)(F)F)CCO1 30975118 AAUURKLVXSIVHO-VIFPVBQESA-N 408.302 3.166 0 40 HGAB Cc1ccc(-c2nc(C)c(C(=O)NN3C(=O)N[C@@](C)(c4ccccc4)C3=O)s2)o1 31227839 ZJIDIILNLMOONL-FQEVSTJZSA-N 410.455 3.132 0 40 HGAB COc1cccc(N2CCN(C(=O)CCC(=O)c3ccc(OC)c(OC)c3)CC2)c1 31358486 LDFNVAKRXLICMG-UHFFFAOYSA-N 412.486 3.024 0 40 HGAB COc1ccc(OC)c(CN2CCN(CC(=O)N3CCC[C@H]4CCCC[C@H]43)CC2)c1 32751459 MKECULLHYWIRFG-DENIHFKCSA-N 415.578 3.003 0 40 HGAB Cc1cccc(N2C[C@@H](C(=O)N(C)Cc3ccccc3N3CCOCC3)CC2=O)c1C 32772552 AYVXZDUDGLNHIP-NRFANRHFSA-N 421.541 3.152 0 40 HGAB COc1ccc2c(C)c(CCC(=O)Nc3nc4c(s3)CN(C)CC4)c(=O)oc2c1 32843370 DDYXYSXJBBBJNC-UHFFFAOYSA-N 413.499 3.126 0 40 HGAB Cc1ccc(NC(=O)COC(=O)CCCNC(=O)c2ccc(Cl)cc2)c(F)c1 32945262 UPEUPPGPMHSKEF-UHFFFAOYSA-N 406.841 3.479 0 40 HGAB COC(=O)[C@@H](CCSC)NC(=O)N1CCc2nc[nH]c2[C@H]1c1cccc(Cl)c1 36569625 PUKXFBWYIOKBGX-NVXWUHKLSA-N 422.938 3.015 0 40 HGAB CCn1ccc(-c2cc(C(=O)N[C@@H](C)c3c(C)nn(C)c3C)c3c(C)noc3n2)n1 36617984 NNNOZFCATBSPEQ-NSHDSACASA-N 407.478 3.256 0 40 HGAB COc1ccc(N2C(=O)C[C@@H](Nc3ccc(Br)cc3)C2=O)c(OC)c1 36635660 JTGJCADERSDAMS-CQSZACIVSA-N 405.248 3.210 0 40 HGAB CN1C(=O)c2ccccc2[C@H](C(=O)Nc2nccs2)[C@@H]1c1ccc2c(c1)OCO2 40284061 AKDPOMNPYIUITJ-ROUUACIJSA-N 407.451 3.421 0 40 HGAB CC[C@@H](NC(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1)c1ccccc1 44935495 YLRDLQWMLHDTAV-QAPCUYQASA-N 408.907 3.135 0 40 HGAB CCC[C@@H](c1nnnn1Cc1ccc(OC)cc1)N1CCN(c2ccccc2)CC1 57670990 PRZMGSOFJKDQNB-QFIPXVFZSA-N 406.534 3.393 0 40 HGAB O=C(c1ccc(C[S@@](=O)Cc2nc(Cc3ccccc3)no2)cc1)N1CCCC1 58157324 IBCLKYQADZTJLZ-LJAQVGFWSA-N 409.511 3.345 0 40 HGAB COc1ccc(-c2csc(CCNC(=O)Nc3ccc(-n4cncn4)nc3)n2)cc1 58159606 MAZLFPLYSVIHPR-UHFFFAOYSA-N 421.486 3.159 0 40 HGAB COc1cc(NC(=O)NCc2ccc(Cn3cccn3)cc2)ccc1N1CCCC1=O 69894534 OVIOTKMQUCZTJH-UHFFFAOYSA-N 419.485 3.389 0 40 HGAB COc1cc(CN2CCC[C@@H](c3cc(=O)[nH]c(-c4cccnc4)n3)C2)cc(OC)c1 72393089 IQMIVMHEMISACC-GOSISDBHSA-N 406.486 3.229 0 40 HGAB COc1cc(OC)c(-c2c3sc(=O)[nH]c3nc3c2c(O)nn3C(C)C)cc1OC 72404805 APQNPYROGOPTIQ-UHFFFAOYSA-N 416.459 3.314 0 40 HGAB CO[C@H](C)c1nc(CN2CCCN(C(=O)CO[C@@H]3CCCC[C@@H]3C)CC2)cs1 79053981 QQYQSNBXQRKMFI-YQVWRLOYSA-N 409.596 3.480 0 40 HGAB CC(C)(C)OC(=O)NCCSc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1 95959609 CJGXUWQNKZLYJO-AWEZNQCLSA-N 405.520 3.192 0 40 HGAB O=C(c1cnccn1)N1CCC(c2nc3ccc(-c4cccc(F)c4)cn3n2)CC1 96038209 QYCRAJFIVXZGRR-UHFFFAOYSA-N 402.433 3.345 0 40 HGAB C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)N[C@@H](C)[C@@H]3C[C@@H]4CC[C@@H]3C4)c2)C[C@@H](C)O1 103012845 ZUYSEEWWDITFOL-UVIDDBMMSA-N 420.575 3.039 0 40 HGAB CC[C@H](C(=O)N[C@H](C)COc1ccc(C)cc1)N(c1ccc(C)cc1)S(C)(=O)=O 219102231 DHKASGAMHVCVTG-WIYYLYMNSA-N 418.559 3.432 0 40 HGAB COc1ccc([C@@H](C)NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1 219756650 IQGOKMCNVNUTSS-AUUYWEPGSA-N 422.934 3.379 0 40 HGAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1cccc(N(C)S(C)(=O)=O)c1 222422689 NVNDMFHMBSTGFM-GOSISDBHSA-N 402.516 3.423 0 40 HGAB CCOc1ccc(-c2noc(CN(C)S(=O)(=O)Cc3ccc(C)cc3)n2)cc1 223627180 CYDPXMXCYURLDT-UHFFFAOYSA-N 401.488 3.406 0 40 HGAB COc1ccc(-c2noc(CN(C)S(=O)(=O)c3cc(C)ccc3C)n2)c(OC)c1 223779106 SQRPIESUTQMOMM-UHFFFAOYSA-N 417.487 3.191 0 40 HGAB COc1ccc(-c2cnc(CCC(=O)NCc3ccc4c(c3)OCO4)o2)c(OC)c1 224871554 CAAXCFVLAJWFPW-UHFFFAOYSA-N 410.426 3.337 0 40 HGAB C[C@@H](C(=O)NCCSC1CCCC1)N(c1ccc(Cl)cc1)S(C)(=O)=O 225270474 JRKGIHOTDIDXBG-ZDUSSCGKSA-N 404.985 3.287 0 40 HGAB CCn1cc(CN2CCO[C@@H](c3cc(CCOc4cccc(Cl)c4)[nH]n3)C2)cn1 257222401 DTDHQYDNNLFCMO-OAQYLSRUSA-N 415.925 3.475 0 40 HGAB CC1(C)Oc2cc(O)ccc2[C@H]2OCC3(CCN(C(=O)c4ccncn4)CC3)C[C@@H]21 257245231 IOQCCJOSMKJDMS-FXAWDEMLSA-N 409.486 3.353 0 40 HGAB CCCN1CCN(CCC(N)=O)C[C@@H](Cc2ccc(-c3ccccc3F)cc2)C1=O 257282157 OSPALTNXWVKFED-HXUWFJFHSA-N 411.521 3.081 0 40 HGAB CCCCCNC(=O)COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C 408563394 VPLZMMOBUDNABE-UHFFFAOYSA-N 416.543 3.432 0 40 HGAB CC(C)CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)NCc2ccc(Cl)cc2)cc1 408598332 ZEBGYUFCDZANJQ-HNNXBMFYSA-N 424.950 3.358 0 40 HGAB COC(=O)c1ccccc1NC(=O)CN1c2ccccc2-c2ccccc2S1(=O)=O 408628070 SNEGDQPEMBACDD-UHFFFAOYSA-N 422.462 3.288 0 40 HGAB C[C@@H]1C=CC[C@H]2C(=O)N(c3ccc(C(=O)Nc4ccccc4C(=O)O)cc3)C(=O)[C@@H]12 408673589 UAPLLPHSXWRNAU-XVSDVWIESA-N 404.422 3.339 0 40 HGAB CCN(CC)C(=O)COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1Cl 409393475 WZBQEQPVKKSARV-UHFFFAOYSA-N 422.934 3.339 0 40 HGAB Cc1cccc(C(=O)N2Cc3ccnn3[C@H](CC(=O)NCCc3cccs3)C2)c1 585095999 XPARYGQYKPWRHI-LJQANCHMSA-N 408.527 3.199 0 40 HGAB CN(C(=O)CN1CCC(c2cncc(Nc3ccccn3)n2)CC1)C1CCCCC1 585176629 IQMKXTBKHXSDJO-UHFFFAOYSA-N 408.550 3.586 0 40 HGAB CC(C)c1ncnc(N(C)[C@H]2CCCN(C(=O)Cn3cnc4ccccc43)C2)c1F 1888904260 OBRVMJDWJHOVLB-INIZCTEOSA-N 410.497 3.216 0 40 HGAB CO[C@@H]1CCN2C[C@@H]1CCCCN(C1CCOCC1)CCOc1ccccc1C2=O 2037980857 KIZVEDUDHYCFNJ-SIKLNZKXSA-N 416.562 3.207 0 40 HGAB CCOc1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1 784607 XHVKLDDREALJEZ-QGZVFWFLSA-N 402.516 3.433 0 40 HGAB COc1ccc(OC)c([C@@H]2SCCN2S(=O)(=O)c2ccc(NC(C)=O)cc2)c1 800849 AQUXHUQYEVTGIO-IBGZPJMESA-N 422.528 3.099 0 40 HGAB COc1ccc(NC(=O)c2sc(SCC(=O)Nc3nccs3)nc2N)cc1 3013014 HJFASTVYYNWZIP-UHFFFAOYSA-N 421.529 3.174 0 40 HGAB Cc1ccc(CNC(=O)C(=O)Nc2ccc(I)cc2C)cc1 3117355 URQCKBISPPSRCS-UHFFFAOYSA-N 408.239 3.163 0 40 HGAB COc1ccc(Cl)cc1C(=O)N1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1 3557426 LDKPMHQAHPPRJB-UHFFFAOYSA-N 422.934 3.112 0 40 HGAB O=C(Cn1cnc2c(cnn2-c2ccccc2)c1=O)Nc1ccc(C(F)(F)F)cc1 4165705 OVTMSPNNJOWCRF-UHFFFAOYSA-N 413.359 3.240 0 40 HGAB CCOc1ccc2[nH]c(=O)c(CN(CCCO)C(=O)Nc3ccccc3F)cc2c1 4231291 VCJUPGDLESMEPX-UHFFFAOYSA-N 413.449 3.482 0 40 HGAB O=C(CSc1nnc(NC(=O)c2cccc(F)c2)s1)NCCc1ccccc1 4328288 JGBLALPOSPRLOJ-UHFFFAOYSA-N 416.503 3.381 0 40 HGAB CCS(=O)(=O)c1cccc(C(=O)Nc2nc3ccc(NC(C)=O)cc3s2)c1 4585807 BZZKUXKFDKDONN-UHFFFAOYSA-N 403.485 3.301 0 40 HGAB Cc1ccc(N(CC(=O)NC2CCCCC2)C(=O)CNC(=O)c2cccs2)cc1 4875800 IMLHIDPAZRUTKZ-UHFFFAOYSA-N 413.543 3.268 0 40 HGAB O=C(NCc1ccccc1)[C@H](c1ccc(F)cc1)N(C(=O)c1csnn1)C1CC1 4964948 ITULPOVCOWLGOV-IBGZPJMESA-N 410.474 3.340 0 40 HGAB CCc1ccc(CN(C(=O)COc2ccc(Cl)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 5092247 PNLBSEBJCKAHQO-LJQANCHMSA-N 421.946 3.497 0 40 HGAB COc1ccc2nc(N(CCN(C)C)C(=O)c3ccc4c(c3)OCCO4)sc2c1 5115093 DECVRIASOQUFIN-UHFFFAOYSA-N 413.499 3.285 0 40 HGAB Cc1cc(C)c(NC(=O)CN2C(=O)N[C@](C)(c3cc(F)ccc3F)C2=O)c(C)c1 5218694 LWGGZQOHKSAYRH-OAQYLSRUSA-N 401.413 3.296 0 40 HGAB Cc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3n2CCO[C@H]3c2ccccc2)cc1 5345355 VZVAFCKJERINGU-QFIPXVFZSA-N 401.466 3.134 0 40 HGAB COc1ccc(/C=C2\SC(=O)N(CC(=O)N[C@@H]3CCCC[C@@H]3C)C2=O)cc1OC 5445654 WBNCKQLRAWTVIR-OKCCESLHSA-N 418.515 3.435 0 40 HGAB CC(C)C[C@H](NC(=O)N1CCn2c1nc1ccccc12)C(=O)NCc1ccccc1 5488317 YLKYOZDWENUEAE-IBGZPJMESA-N 405.502 3.297 0 40 HGAB COc1ccc(CCNC(=O)CSc2ccc3c(c2)OCCCO3)cc1OC 6436950 KHQMYWXTGZBJBB-UHFFFAOYSA-N 403.500 3.316 0 40 HGAB Cc1ccc(C(=O)N(CCC(C)C)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)cc1 6626370 FPSCCAKDWCRJTL-UHFFFAOYSA-N 420.513 3.168 0 40 HGAB CC1CCC(C(=O)N[C@H](C(=O)N2CCN(c3ccccc3F)CC2)C(C)C)CC1 6722244 XLMFUUUIPNURNK-NGICGMGXSA-N 403.542 3.441 0 40 HGAB Cc1[nH]c(SCC(=O)N2CCN(c3ccc(O)cc3)CC2)nc1Cc1ccccc1 7246250 YESPCAXXUJTUJW-UHFFFAOYSA-N 422.554 3.455 0 40 HGAB CCC(C)(C)C1CCC(NC(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)CC1 7279061 OSQTYOIYOSYXIM-YOHDVBOVSA-N 411.546 3.491 0 40 HGAB CCOC(=O)c1ccc(N2C[C@@H](C(=O)O[C@H](C)C(=O)c3ccccc3)CC2=O)cc1 7881378 USQMFSZUKKZQCH-QAPCUYQASA-N 409.438 3.031 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(C)c(NCC(=O)Nc2cc(C)ccc2OC)c1 7973184 LSSUWLGBOGQBRT-UHFFFAOYSA-N 419.547 3.393 0 40 HGAB COc1ccc(NC(=O)COc2ccc(C(=O)NCc3ccccn3)cc2OC)cc1 8726065 YBIHLXZMMJFDPY-UHFFFAOYSA-N 421.453 3.046 0 40 HGAB COc1cc(C)c(Br)cc1S(=O)(=O)Nc1ccccc1C(=O)O 9002240 CAWGQTNRMQBFQQ-UHFFFAOYSA-N 400.250 3.265 0 40 HGAB O=C1Cc2cc(-c3csc(NC(=O)c4cc(=O)[nH]c5ccccc45)n3)ccc2N1 9254378 QKVCCEHPHIUVPW-UHFFFAOYSA-N 402.435 3.399 0 40 HGAB CNC(=O)NC(=O)[C@H](OC(=O)/C=C/c1cccc(Br)c1)c1ccccc1 9283462 PIQFNHDBLNXZFM-SXSDINLZSA-N 417.259 3.202 0 40 HGAB Cc1ccc(-c2nc3scc(CCNC(=O)C(=O)Nc4ccc(F)cc4)n3n2)cc1 9568970 BRPJNUWQULJWSU-UHFFFAOYSA-N 423.473 3.203 0 40 HGAB O=C(OCc1nc2ccccc2o1)c1cccc(S(=O)(=O)NCc2ccco2)c1 9746825 BGYAJMVEJQPKQB-UHFFFAOYSA-N 412.423 3.256 0 40 HGAB O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc(NC(=O)C2CC2)s1 11031256 ZAVJPFDCPPPUON-UHFFFAOYSA-N 404.400 3.228 0 40 HGAB O=C(Cn1c(=O)cnc2ccccc21)N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1 12758226 LTWSFADDZQODLJ-XMMPIXPASA-N 409.449 3.179 0 40 HGAB CCCCN1C(=O)c2ccc(C(=O)NCC(=O)Nc3c(C)cccc3C)cc2C1=O 12810638 AIDVIISQDSNJPS-UHFFFAOYSA-N 407.470 3.068 0 40 HGAB O=C(CSc1nc(O)c(Cc2cccc3ccccc23)c(=O)[nH]1)N1CCCCC1 13957216 IFAQXKRPXNSGCD-UHFFFAOYSA-N 409.511 3.324 0 40 HGAB O=C(COc1ccc(Cl)cc1Cl)Nc1ccccc1C(=O)N1CCOCC1 13996557 XLNMGHCVEDANED-UHFFFAOYSA-N 409.269 3.483 0 40 HGAB O=c1c2cc(Cl)ccc2ncn1C[C@H](O)COc1ccc(Br)cc1 14199981 VHPLUIXDQVCYSK-ZDUSSCGKSA-N 409.667 3.252 0 40 HGAB CC(C)[C@@H](NS(=O)(=O)c1ccc2c(c1)CC(=O)N2)c1ccc2c(c1)OCCCO2 14229788 PDQSKSBNWUQLKH-OAQYLSRUSA-N 416.499 3.018 0 40 HGAB Cc1cc(N2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)nc(C(C)C)n1 15357413 JRSWRZVNRQTRHV-UHFFFAOYSA-N 414.575 3.298 0 40 HGAB CC(C)Oc1ccc(NC(=O)c2ccc(N3C(=O)C(C)(C)CS3(=O)=O)cc2)cc1 15843238 WPPMNLJKJXAJRD-UHFFFAOYSA-N 416.499 3.429 0 40 HGAB O=C(NC1CCCC1)c1c(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)sc2c1CCC2 17090029 FNWMSRZQROUHPP-YIFBXAAPSA-N 414.527 3.371 0 40 HGAB Cc1ccccc1C(=O)N1CCC(C(=O)N2CCN(Cc3ccccc3)CC2)CC1 17357781 IACSJZNAMVMFHE-UHFFFAOYSA-N 405.542 3.192 0 40 HGAB Cc1cc(C)nc(-n2[nH]c3[nH]c(C)c(Cc4cccc5ccccc45)c(=O)c3c2=O)n1 18063695 ZLRQJUXHXNVDGQ-UHFFFAOYSA-N 411.465 3.466 0 40 HGAB Cc1cc(Br)cc(C)c1NC(=O)[C@H]1C[C@H](O)CN1C(=O)OCC(C)C 18193977 RRWULTHAMIGOCI-LSDHHAIUSA-N 413.312 3.232 0 40 HGAB Cc1ccc(O[C@@H](C)C(=O)N2CCC(c3nc(-c4nccs4)cc(=O)[nH]3)CC2)cc1 19210823 BDOIQNMLNPOIET-HNNXBMFYSA-N 424.526 3.375 0 40 HGAB CC[C@@H](Oc1ccccc1F)C(=O)N1CC[C@@H](c2cc(=O)[nH]c(-c3ccccn3)n2)C1 19499346 HQYIRPDQUAHCLB-DNVCBOLYSA-N 422.460 3.145 0 40 HGAB CCn1cc(S(=O)(=O)N2CCC[C@@H]2c2nnc(-c3ccc(C)s3)o2)c(C)n1 19524643 LKLXBQOPZLXSEC-CYBMUJFWSA-N 407.521 3.157 0 40 HGAB COc1ccc([C@@H]2c3nc[nH]c3CCN2C(=O)[C@@H]2COc3c(cccc3OC)C2)cc1 19553982 CISXSQPTQPKMJL-HTAPYJJXSA-N 419.481 3.152 0 40 HGAB COc1ccccc1C1=NO[C@](C)(C(=O)N(C)Cc2ccccc2N2CCOCC2)C1 19660999 MFPRVCHOYRBAOY-DEOSSOPVSA-N 423.513 3.074 0 40 HGAB Cc1nn(C)c(C)c1C[C@H](C)NC(=O)c1cc(Cn2nccc2C)nc2ccccc12 19716427 BSZCQXMQFYHEHL-HNNXBMFYSA-N 416.529 3.499 0 40 HGAB Cc1c(-c2ccnc3cc(C(=O)N[C@@H]4CC(C)(C)Oc5ccccc54)nn23)cnn1C 19719029 HPWZKERHBSMXQL-GOSISDBHSA-N 416.485 3.470 0 40 HGAB COC(=O)Cc1c(C)c2ccc3c(c2oc1=O)CN(Cc1ccccc1OC)CO3 19882382 KNALOZKLMHVHPQ-UHFFFAOYSA-N 409.438 3.178 0 40 HGAB biogenic Cc1ccc(N(CC(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)S(C)(=O)=O)c(C)c1 22328241 HYKUQAWRUQHUTG-GOSISDBHSA-N 416.543 3.488 0 40 HGAB CC[C@H](CNC(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)CC)c1ccccc1 22973498 CQJOARJDNCFTIO-DYESRHJHSA-N 400.544 3.073 0 40 HGAB CSc1ccc(N2C[C@@H](C(=O)NC[C@@H]3CCN(c4ccccc4)C3)CC2=O)cc1 24813857 IRWYXPLYFCYTDI-ROUUACIJSA-N 409.555 3.404 0 40 HGAB COc1cc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)s3)C2)cc(OC)c1 24992714 PGDJURXMAUHAHI-CQSZACIVSA-N 424.544 3.113 0 40 HGAB CC(C)c1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2CCN(CCO)CC2)cc1 25637774 YJGPCVABFAZLMR-UHFFFAOYSA-N 418.541 3.413 0 40 HGAB COc1ccc(Cl)cc1N1C[C@@H](C(=O)NC[C@@H](c2cccs2)N(C)C)CC1=O 27675849 RJHZVYWHWABLPG-BBRMVZONSA-N 421.950 3.182 0 40 HGAB O=C(NCCC1=CCCCC1)C1CCN(C(=O)[C@H]2CC(=O)N(c3ccccc3)C2)CC1 32101771 UIMXKXJZXAVFET-NRFANRHFSA-N 423.557 3.285 0 40 HGAB COc1ccc(Nc2nc(N3CCN(c4ccccc4)CC3)c3nccnc3n2)cc1 32104152 BDDMUJBOPMRWIM-UHFFFAOYSA-N 413.485 3.499 0 40 HGAB O=S(=O)(/C=C/c1ccc(Cl)cc1)NC[C@H](c1cccs1)N1CCOCC1 32513650 WTZUSYSJVLMUQV-SDSFWRRZSA-N 412.964 3.365 0 40 HGAB C[C@@H](CNC(=O)C[C@H](NC(N)=O)c1ccc(Br)cc1)c1ccccc1 32795967 AGHMIKIRVIJGQK-GUYCJALGSA-N 404.308 3.469 0 40 HGAB CCCc1n[nH]c(SCC(=O)Nc2sc3c(c2C(=O)OC)CC[C@H](C)C3)n1 32883926 XJTGVSASYVXVJW-JTQLQIEISA-N 408.549 3.461 0 40 HGAB CC(C)(C)c1noc(CCC(=O)N2CCC(C(=O)N3CCc4ccccc4C3)CC2)n1 33003124 QVFQAFFFKQQIMB-UHFFFAOYSA-N 424.545 3.123 0 40 HGAB O=C(c1ccc(S(=O)(=O)c2ccccc2)nc1)N1CCN(C2CCCCC2)CC1 35483500 WZRBEJWNQZHQED-UHFFFAOYSA-N 413.543 3.005 0 40 HGAB O=C(CCCCCn1nnc2ccccc2c1=O)Nc1ccc2oc(=O)ccc2c1 36358619 MRMVMXUJSZTVAH-UHFFFAOYSA-N 404.426 3.097 0 40 HGAB CC(=O)N1CCOc2cc(S(=O)(=O)N3CCC[C@H]3c3ccc(C)cc3)ccc21 36619699 OZCJSXSGVMZDCP-IBGZPJMESA-N 400.500 3.266 0 40 HGAB CCN(CC(=O)Nc1ccc(F)c(Cl)c1)S(=O)(=O)c1ccc(OC)cc1 39985380 RMQOPIXOYWHCEP-UHFFFAOYSA-N 400.859 3.137 0 40 HGAB CCc1ccc(CCC(=O)NCc2cccc(NC(=O)CCN3CCOCC3)c2)cc1 40156827 JWJSMOKBTLTWAW-UHFFFAOYSA-N 423.557 3.159 0 40 HGAB COc1ccccc1NC(=O)[C@H](C)SCc1cccc(S(=O)(=O)N(C)C)c1 45090016 LUTTUTVRFDHXQK-AWEZNQCLSA-N 408.545 3.206 0 40 HGAB CC[C@@]1(c2ccccc2)NC(=O)N(Cc2cc(=O)oc3cc(NC(C)=O)ccc23)C1=O 49579053 GKSLKIQMQPSJPL-QHCPKHFHSA-N 419.437 3.109 0 40 HGAB Cn1c(=O)c2ccccc2n(CC(=O)c2cc3c(c4c2CCCC4)CCCC3)c1=O 55104303 COZMFZBYPSUSSR-UHFFFAOYSA-N 402.494 3.341 0 40 HGAB Cc1ccc(N(CC(=O)NCCOc2ccc3ccccc3c2)S(C)(=O)=O)cc1 59471972 IBLXHAPUVDTYCU-UHFFFAOYSA-N 412.511 3.109 0 40 HGAB CC(=O)Nc1ccc(NC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2C(C)C)cc1 67236139 WHLGCPFWROMWEN-UHFFFAOYSA-N 413.503 3.303 0 40 HGAB O=C(NC[C@@H]1CCCO1)c1cc2ccc(O)cc2o/c1=N\c1ccc2c(c1)OCCO2 67298542 YZRWBFFETVBCNT-KZIRDTCISA-N 422.437 3.051 0 40 HGAB CC(C)(C)OC(=O)N1CCC2(CC1)C[C@]1(CO2)NC(=O)c2cc(Cl)ccc2N1 72325644 GHDPLXZHWAUQHH-HXUWFJFHSA-N 407.898 3.382 0 40 HGAB COC(=O)[C@]1(CC(=O)OCc2ccccc2)C(=O)C[C@H]2CC[C@@H]1N2Cc1ccccc1 72340221 GDTMPFQXOAQHNR-CZSZKKDXSA-N 421.493 3.285 0 40 HGAB C[C@H]1Cc2cc(S(=O)(=O)Nc3ccc(I)cc3)ccc2N1 78403917 UWZHVIIQYOYCGZ-JTQLQIEISA-N 414.268 3.449 0 40 HGAB COCCn1cc(CCCC(=O)Nc2cccc(-c3nnn(C)n3)c2)c2ccccc21 79481534 NCXVHHVWSBFHCG-UHFFFAOYSA-N 418.501 3.440 0 40 HGAB Cc1c(C(=O)N[C@@H]2Cc3ccccc3[C@@H]2O)cnn1-c1ccc(Br)cc1 89544868 BMQUQDLHCYUWPM-MOPGFXCFSA-N 412.287 3.331 0 40 HGAB Cn1ccnc1SCC1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 90608245 SJXZTUWYIYFGTL-UHFFFAOYSA-N 405.589 3.492 0 40 HGAB COc1ccc(C(=O)Nc2ccc(-c3nnc4n3CCCC4)cc2)cc1OCC(=O)O 95424367 JMAZBXWUYKMNGB-UHFFFAOYSA-N 422.441 3.006 0 40 HGAB CCOC(=O)c1sc(NC(=O)c2cc(-c3ccc(OC)c(OC)c3)n[nH]2)nc1C 95475352 JSZGCIXZHBZTKY-UHFFFAOYSA-N 416.459 3.288 0 40 HGAB Cc1cc(=O)oc2cc(OCC(=O)N[C@@H](C)c3nnc4ccccn34)c(Cl)cc12 95477273 LYSBSFZMJSQRQI-LBPRGKRZSA-N 412.833 3.054 0 40 HGAB COc1cccc(NC(=O)c2ccc(NC(=O)[C@@H]3[C@@H]4C[C@H]5OC(=O)[C@H]3[C@H]5C4)cc2)c1 100648962 XGZYSVKKFIHUNY-GYZWRVLVSA-N 406.438 3.084 0 40 HGAB CCn1/c(=N/C(=O)c2cccc(N3C(=O)CCC3=O)c2)sc2cc(F)cc(F)c21 100893952 OWGFNYMDGLWYPX-ATJXCDBQSA-N 415.421 3.395 0 40 HGAB Cc1ccc(Nc2nccc(Nc3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O 143238486 XWOGXAVHJKKNPO-UHFFFAOYSA-N 423.502 3.115 0 40 HGAB in-vitro CC[C@H](C(=O)NCCCN(C)c1ccccc1)N(c1cccc(C)c1)S(C)(=O)=O 220527856 OUHQJMMBGGTXQZ-OAQYLSRUSA-N 417.575 3.182 0 40 HGAB Cc1ccc(N(C)C(=O)COc2ccc(S(=O)(=O)NCC(C)C)cc2)cc1C 222657700 YCOXNXCEXQFITB-UHFFFAOYSA-N 404.532 3.280 0 40 HGAB CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccccc1 223661601 FMOUTBOPARBGRK-LEWJYISDSA-N 406.511 3.408 0 40 HGAB Cc1cccc(OCCNC(=O)CCCN(c2cc(C)ccc2C)S(C)(=O)=O)c1 224150049 GBSMOAJSZIUGKS-UHFFFAOYSA-N 418.559 3.353 0 40 HGAB Cc1cccc(OCCNC(=O)CCCN(c2ccc(C)cc2C)S(C)(=O)=O)c1 224646641 ZAOMODLKLZDIJF-UHFFFAOYSA-N 418.559 3.353 0 40 HGAB CCN(c1cc(OC)c(Cl)cc1OC)S(=O)(=O)c1ccc2c(c1)OCCO2 224845973 YNADKBZPIONTRL-UHFFFAOYSA-N 413.879 3.344 0 40 HGAB O=C(c1cc2n(n1)CCCC2)N1CCN(C(=O)C2(c3cccs3)CCCC2)CC1 225602267 QRQAHQRTGRDTSR-UHFFFAOYSA-N 412.559 3.077 0 40 HGAB O=C(C1CC1)N1CCc2cc(S(=O)(=O)NCCSCc3ccccc3)ccc21 225858818 LYPPBXUOARZINO-UHFFFAOYSA-N 416.568 3.197 0 40 HGAB CN(c1ccc(CC(=O)NCCc2ccccc2)cc1)S(=O)(=O)c1ccccc1 225980226 UNKTUDMEKFIHPU-UHFFFAOYSA-N 408.523 3.413 0 40 HGAB COCCOc1cc(CN2C[C@@H]3[C@@H](CC[C@@]3(O)c3ncccc3C)C2)ccc1OC 247887781 DZLJSQKFHYZXBA-ROKPMTFOSA-N 412.530 3.153 0 40 HGAB CCCCNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1OC 408626519 ZGMKXCKKMACYTH-UHFFFAOYSA-N 424.950 3.456 0 40 HGAB CC[C@@H](C)NC(=O)CN(CCc1ccccc1)S(=O)(=O)c1cc(C)ccc1OC 408626557 ZQCHODLFCSDHRK-GOSISDBHSA-N 418.559 3.152 0 40 HGAB CCOc1ccc(-c2cc3ccccn3c2C(=O)C(=O)N2CCN(CC)CC2)cc1 408675058 GEWAKFOBLHGALG-UHFFFAOYSA-N 405.498 3.352 0 40 HGAB CCc1cc(C(=O)N2CCOC[C@@H]2c2c(C)nn(Cc3ccccc3)c2C)cc(O)n1 501185799 WABVDAAVKQUMBJ-OAQYLSRUSA-N 420.513 3.425 0 40 HGAB Cc1cccc(CO[C@@H]2CCOC3(C2)CN(C(=O)Cc2ccc4c(c2)CCCO4)C3)n1 575406466 XJZWBSWFNAQYJW-JOCHJYFZSA-N 422.525 3.234 0 40 HGAB CC(C)c1ccc(S(=O)(=O)N(Cc2ccccc2)[C@@H]2C=CS(=O)(=O)C2)cc1 575422079 KUKPFPHQXRBSKH-LJQANCHMSA-N 405.541 3.312 0 40 HGAB COc1cc([C@@H]2C3=C(CN(C(C)=O)C3=O)Nc3cccc4c3c2cn4C)ccc1O 604404213 LMUIBAVGVQZYPE-FQEVSTJZSA-N 403.438 3.093 0 40 HGAB biogenic NC(=O)C[C@H]1CN(Cc2cccc(-n3cccc3)c2)C[C@H]1OC(=O)c1ccccc1 643586910 KJKVBPSTFUFDRO-RBBKRZOGSA-N 403.482 3.010 0 40 HGAB O=C(Cc1ccc(C(F)(F)F)cc1)N1CC(Cn2cc(Br)cn2)C1 1892041776 HWNVKFZKFFSJLK-UHFFFAOYSA-N 402.214 3.366 0 40 HGAB O=C(NCc1ccccc1)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1cccs1 645763 JNWFOWYFQVZPLV-LJQANCHMSA-N 412.536 3.180 0 40 HGAB CCOC(=O)C1=C(c2ccccc2)N=C2SCC(=O)N2[C@H]1c1ccc(O)c(OC)c1 1007136 CKHMWBASBIDHRZ-FQEVSTJZSA-N 424.478 3.361 0 40 HGAB COC(=O)COc1cc(C)c(S(=O)(=O)N2CCc3ccccc32)cc1C(C)C 1443685 HYTBMEPNXYEIQW-UHFFFAOYSA-N 403.500 3.422 0 40 HGAB CC(C)(C)[C@@H]1CCc2c(sc3nnn(CC(=O)NC4CCCCC4)c(=O)c23)C1 1784916 NYSRLUSOGPKFSE-CYBMUJFWSA-N 402.564 3.453 0 40 HGAB COc1ccc([C@@H]2C[C@@H](c3ccccc3)Nc3nc(N4C(=O)CCC4=O)nn32)cc1 2425502 FBYLKHGXVAEKFX-ROUUACIJSA-N 403.442 3.086 0 40 HGAB CCOc1ccc(/C=c2\sc3nc(-c4cccc(C)c4)nn3c2=O)cc1OCC 2438128 WECCLQWYXSIOTH-UYRXBGFRSA-N 407.495 3.472 0 40 HGAB CN(C(=O)c1ccccn1)[C@H](C(=O)Nc1ccc2c(c1)OCCO2)c1ccccc1 3615054 NYBWYBFKYPGZTP-NRFANRHFSA-N 403.438 3.305 0 40 HGAB CC(C)(C)n1nc2c(c1NC(=O)c1ccccc1C(F)(F)F)CS(=O)(=O)C2 4088603 RIQIIRPKOHJQRA-UHFFFAOYSA-N 401.410 3.338 0 40 HGAB COCCNC(=S)N(Cc1cccnc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O 4127406 DAEDEHGLSHZONS-UHFFFAOYSA-N 410.543 3.063 0 40 HGAB CCCOc1ccc(N2C[C@H](C(=O)Nc3ccc(N4CCOCC4)cc3)CC2=O)cc1 4419110 GTGJVRQXIFNGMF-GOSISDBHSA-N 423.513 3.304 0 40 HGAB CC(C)[C@H](NC(=O)Cc1cccc2ccccc12)C(=O)Nc1ccc(C(N)=O)cc1 6580591 ANMDFNUSPSJQRY-QFIPXVFZSA-N 403.482 3.261 0 40 HGAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Cl)c(O)c(Cl)c3)C2=O)o1 6735148 FLAPRKJVGKFPSY-SDQBBNPISA-N 411.197 3.172 0 40 HGAB CCCOc1ccccc1NC(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN12 6785338 ZSSDFAOWBVPOLE-UHFFFAOYSA-N 417.512 3.339 0 40 HGAB O=C([C@H](Sc1nnc(NCc2ccco2)s1)c1ccccc1)N1CCOCC1 7161978 LQMPXAMMAIGJIK-MRXNPFEDSA-N 416.528 3.435 0 40 HGAB O=C(CSc1ccc2c(c1)CCC2)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1 7779270 PEBYIKDQZOUFJY-LJQANCHMSA-N 401.553 3.488 0 40 HGAB O=C(Cn1nnc(-c2ccsc2)n1)N1CCC[C@H](c2nc3ccccc3s2)C1 8000520 HUUMNFGISANGJD-ZDUSSCGKSA-N 410.528 3.418 0 40 HGAB COc1ccc(CNC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2)cc1OC 8112123 JTQODLHRQUAQDS-NRFANRHFSA-N 418.493 3.361 0 40 HGAB CNc1ccccc1C(=O)OCC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 8154088 VXFXPQFSXHNLHD-UHFFFAOYSA-N 421.419 3.253 0 40 HGAB CC(=O)NCc1ccc(C(=O)CSc2nnc(Cc3cccs3)n2C)cc1 8333371 UZEFJNCBFDMENY-UHFFFAOYSA-N 400.529 3.079 0 40 HGAB CC(=O)c1cccc(NC(=O)COC(=O)CCC(=O)Nc2cccc(Cl)c2)c1 8413920 XXXMPMBKVFYRQL-UHFFFAOYSA-N 402.834 3.443 0 40 HGAB COc1ccccc1[C@H]1CC(c2ccccc2NS(C)(=O)=O)=NN1C(=O)C(C)C 8774881 BVXORKOEHOGJNG-LJQANCHMSA-N 415.515 3.400 0 40 HGAB Cc1cccc(N2C(=O)N(c3ccc(Br)cc3)[C@H]3CS(=O)(=O)C[C@@H]32)c1 8828025 TWZHKRCPCGBKFS-IRXDYDNUSA-N 421.316 3.370 0 40 HGAB O=C(Cn1nnc(COc2ccccc2)n1)N1CCC[C@@H]1c1nc2ccccc2s1 8855775 IBXGKHKGMCUCFC-QGZVFWFLSA-N 420.498 3.226 0 40 HGAB Cc1cccc(Cn2c(=O)n(CC(=O)Nc3ccc(F)cc3)c(=O)c3sccc32)c1 9409859 YUIXLNXWSZSIKY-UHFFFAOYSA-N 423.469 3.359 0 40 HGAB COc1ccc(/C=C(\C(=O)N2CCN(c3ccccc3)CC2)n2ccccc2=O)cc1 9434398 FKLBAKOERXMHPX-FCDQGJHFSA-N 415.493 3.204 0 40 HGAB Cn1c(=O)c2c(nc(NC3CCCC3)n2Cc2c(Cl)cccc2Cl)n(C)c1=O 9459746 IXUJYBMNTBZGKS-UHFFFAOYSA-N 422.316 3.143 0 40 HGAB CCCCCNc1nc2c(c(=O)n(Cc3ccc(Cl)c(Cl)c3)c(=O)n2C)n1C 9471192 UXPHCKDIDQKIKS-UHFFFAOYSA-N 424.332 3.391 0 40 HGAB CC1(C)NC(=O)N(CCCC(=O)N2CCC[C@H]2c2nc3ccccc3s2)C1=O 9613897 FIBKFXHAIQARIF-AWEZNQCLSA-N 400.504 3.070 0 40 HGAB Cc1ccc(NC(=O)CSc2nccn(-c3ccc4c(c3)OCCO4)c2=O)c(C)c1 9761357 SKCMZZHVPOTCFB-UHFFFAOYSA-N 423.494 3.351 0 40 HGAB O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)s1)c1ccc(F)cc1F 9963168 YZZHWLFFIOTVHB-UHFFFAOYSA-N 400.472 3.131 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccccc3)C2)cc1Cl 9974637 DEHKACVHNTXAPE-INIZCTEOSA-N 422.934 3.066 0 40 HGAB CCN(CC)C(=O)c1ccccc1NC(=O)c1ccc(NS(C)(=O)=O)c(C)c1 10314871 KCUHWPREASPVCP-UHFFFAOYSA-N 403.504 3.101 0 40 HGAB Cc1ccccc1NC1=NN=C(c2ccc(CCNS(C)(=O)=O)s2)CS1 11116449 KDVCRFWEQUOZEX-UHFFFAOYSA-N 408.574 3.067 0 40 HGAB CC[C@H](C)[C@@H](NC(N)=O)C(=O)NCc1cn(Cc2ccccc2)nc1-c1ccccc1 11340265 UKWLBBOXPGBNIZ-LAUBAEHRSA-N 419.529 3.298 0 40 HGAB O=C(CNC(=O)c1ccccc1Cl)Nc1nc2cc3c(cc2s1)OCCO3 11752001 KYEQQPOAFPKBTF-UHFFFAOYSA-N 403.847 3.089 0 40 HGAB CCN(CC)C(=O)CN1CCC[C@H](c2c(-c3cc(C)no3)cnc3cc(C)nn23)C1 12123414 PCVAOTGHZIFJKH-KRWDZBQOSA-N 410.522 3.049 0 40 HGAB O=C(CS[C@@H]1CCc2ccccc2NC1=O)NC1CCN(Cc2ccccc2)CC1 12323297 OHHKDFVGJYKEAI-JOCHJYFZSA-N 423.582 3.454 0 40 HGAB CCOC(=O)c1c(NC(=O)CSc2nnnn2C2CC2)sc2c1CC[C@H](C)C2 12787635 KRCITCNRYVPTBE-JTQLQIEISA-N 421.548 3.102 0 40 HGAB COc1ccc(OC)c2[nH]c(C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)O)cc12 12894191 ZADRJSDOWGHQES-KRWDZBQOSA-N 407.426 3.092 0 40 HGAB biogenic COc1ccc2[nH]cc(CCNC(=O)CCCn3cnc4ccccc4c3=O)c2c1 12895643 DNTUBLRBDJNUKZ-UHFFFAOYSA-N 404.470 3.026 0 40 HGAB biogenic COc1cc(C(=O)Nc2cc(Cl)ccc2C)c(N(C)S(C)(=O)=O)cc1OC 13582607 PCZOWSHRQFYNLQ-UHFFFAOYSA-N 412.895 3.314 0 40 HGAB O=C(O[C@H]1CCOC1=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccco1 14155632 DDQVCWZXOXLKNY-IBGZPJMESA-N 403.394 3.212 0 40 HGAB Cc1ccc(S(=O)(=O)NCCc2csc3nc(-c4ccccc4F)nn23)cc1 15783925 VIHVETMJQWQUJL-UHFFFAOYSA-N 416.503 3.426 0 40 HGAB O=C1COc2cc(C(=O)Nc3nc4c(s3)CN(Cc3ccccc3)CC4)ccc2N1 16237637 CEZFSZZRYMULBY-UHFFFAOYSA-N 420.494 3.285 0 40 HGAB COC(=O)[C@@H](CC1CCN(C(=O)OC(C)(C)C)CC1)NC(=O)OCc1ccccc1 16697289 DETHWRBYCXAMSF-GOSISDBHSA-N 420.506 3.492 0 40 HGAB Cc1nn(-c2ccccc2)c2sc(C(=O)OCC(=O)N3C[C@H](C)O[C@H](C)C3)cc12 18067355 CXRDSAMNKYXIPS-OKILXGFUSA-N 413.499 3.188 0 40 HGAB COc1cc(C(=O)N2CCC([C@@H]3C[C@H](C(F)(F)F)n4nc(C)cc4N3)CC2)ccn1 19128955 HZNTURQNHGQVML-JKSUJKDBSA-N 423.439 3.435 0 40 HGAB COc1ccc(-c2ncc(CN3C[C@@H]4CCC[C@H](C3)C4(O)c3nccn3C)cn2)cc1 19291427 UMOMKFSCMBIINW-VXMMSVGHSA-N 419.529 3.005 0 40 HGAB C[C@H](C(=O)N1CC[C@H](c2nc3c(c(=O)[nH]2)CN(C2CCCC2)CC3)C1)c1ccccc1 19459049 YYJCLXCWYJGYRM-HKUYNNGSSA-N 420.557 3.190 0 40 HGAB C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1nc3c(s1)CCCCCC3)C2=O 19496139 ICDOEJQMGORRCM-RBZFPXEDSA-N 404.536 3.241 0 40 HGAB CN(C)C(=O)[C@]1(Cc2cccc(-c3cccs3)c2)CCN(C(=O)[C@@H]2CCCO2)C1 19579864 WWSQRSDBCOMEMT-CVDCTZTESA-N 412.555 3.444 0 40 HGAB CC[C@@H](c1ccc(F)cc1)N(C)C(=O)Cn1cc(C(=O)NC2CCCC2)ccc1=O 19746309 PQDAXTUAFHCAHJ-FQEVSTJZSA-N 413.493 3.270 0 40 HGAB Nc1nc(C2CCN(CC3=CCCOC3)CC2)ccc1C(=O)NCc1ccccc1F 19765756 IPTVLZFDMCHPQH-UHFFFAOYSA-N 424.520 3.259 0 40 HGAB c1ccc2c(Nc3ccc(N4CCOCC4)cc3)nc(CN3CCOCC3)nc2c1 19797497 FFTOFGKOBNHTGX-UHFFFAOYSA-N 405.502 3.042 0 40 HGAB O=C(COc1ccc(Br)cc1)N1CCN(Cc2ccccc2F)CC1 19889486 JGCUQUQXSZHTCA-UHFFFAOYSA-N 407.283 3.311 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)[C@@H](C)Oc2cccc(OC)c2)cc1 20111545 SCMUBFMGWAZICP-OAHLLOKOSA-N 406.504 3.132 0 40 HGAB Cc1ccc(OC[C@H](C)NC(=O)CN(c2ccc(C)c(Cl)c2)S(C)(=O)=O)cc1 22337699 XZKBRFBWAVVFTR-INIZCTEOSA-N 424.950 3.307 0 40 HGAB CCOC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(=O)CN1CCN(C)CC1 22580409 WUGOTMIGZUPVRY-UHFFFAOYSA-N 415.559 3.395 0 40 HGAB O=C1c2ccccc2N2C(=O)CC[C@@]2(C(=O)NC2CCCCC2)N1Cc1ccco1 23054937 ASCWORPWPHOQKK-HSZRJFAPSA-N 407.470 3.208 0 40 HGAB O=C(Cn1nc2c(c1NC(=O)c1ccccc1Cl)CSC2)NCc1ccco1 23139368 SXLSEIZKDHHZKM-UHFFFAOYSA-N 416.890 3.445 0 40 HGAB O=C(CSc1ccc2ccccc2n1)NC[C@H]1CN(Cc2ccccc2)CCO1 23596439 SGAYSZPVSJVBLL-FQEVSTJZSA-N 407.539 3.344 0 40 HGAB CCN(CC)S(=O)(=O)c1cccc(C2=N/C(=C\c3ccccc3F)C(=O)O2)c1 24925661 WCVWSSJYXAODPG-AQTBWJFISA-N 402.447 3.201 0 40 HGAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COc1ccccc1C(F)(F)F 24928346 YDGIQEFFGLNSQY-UHFFFAOYSA-N 416.421 3.282 0 40 HGAB C[C@@H]1Cc2cc(S(=O)(=O)NCc3cccnc3)ccc2N1C(=O)c1ccccc1 28206811 QMQGEKKAHADWBU-MRXNPFEDSA-N 407.495 3.152 0 40 HGAB Cn1ccnc1[C@@H](NC(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O)c1ccccc1 29070201 LNUHTRGUDRBSGE-INIZCTEOSA-N 424.810 3.160 0 40 HGAB O=C(CCC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)c1ccc2c(c1)CCC2 32676091 NDLIFZIORJMMIL-UHFFFAOYSA-N 420.509 3.211 0 40 HGAB CCOc1ccc(NC(C)=O)cc1S(=O)(=O)NCCOc1ccc(C)cc1C 32740517 MBJMSSXWARRQKZ-UHFFFAOYSA-N 406.504 3.018 0 40 HGAB O=C(NCc1nnc2ccc(C(F)(F)F)cn12)c1cccnc1SC(F)F 32835941 BFWSTYCBAZMQCP-UHFFFAOYSA-N 403.336 3.388 0 40 HGAB O=C(Cn1cnc2c([nH]c3ccccc32)c1=O)NCc1cccc(C(F)(F)F)c1 35423754 YDMBVPPBFJGBJM-UHFFFAOYSA-N 400.360 3.213 0 40 HGAB CCn1c(=O)c2sccc2n2c(CCC(=O)N[C@@H](C)CCc3ccccc3)nnc12 35528449 NEFBDOHKWMFILI-HNNXBMFYSA-N 423.542 3.196 0 40 HGAB CC(C)(C)C(=O)COc1coc(CN2CCN(c3ccc(F)cc3)CC2)cc1=O 36358357 WFUHQBUVEUROIM-UHFFFAOYSA-N 402.466 3.095 0 40 HGAB Cc1nn(-c2ccccc2)c(C)c1CCC(=O)NCc1ccc(-n2cccn2)nc1 40047051 MGBQFBOZLPYUSP-UHFFFAOYSA-N 400.486 3.319 0 40 HGAB CCN(CC)C(=O)CN1CCCN(C(=O)c2cccc3c4c([nH]c23)CCCC4)CC1 40118811 LSQOUDSPRQKELY-UHFFFAOYSA-N 410.562 3.063 0 40 HGAB Cc1cccnc1NC(=O)C1CCN(C(=O)c2cccnc2OCC(F)(F)F)CC1 40150281 VDCDQMBVKDTGCV-UHFFFAOYSA-N 422.407 3.217 0 40 HGAB CSc1ncccc1C(=O)N1CCC(CNC(=O)NCc2ccc(F)cc2)CC1 44001738 FDYWSGMMXDYBCK-UHFFFAOYSA-N 416.522 3.294 0 40 HGAB O=C(C1=NN(Cc2ccc(Cl)cc2)c2ccccc2S1(=O)=O)N1CCCCC1 49402524 ADTJNXVIFVUTPI-UHFFFAOYSA-N 417.918 3.460 0 40 HGAB CC(=O)c1cccc(NC(=O)Cn2c(=O)n(CCC(C)C)c(=O)c3ccccc32)c1 57526063 BBVVVVKWUSOJKJ-UHFFFAOYSA-N 407.470 3.051 0 40 HGAB CCOC(=O)/C(=C/c1ccc(C(=O)OC)cc1)c1nc2sc(C)c(C)c2c(=O)[nH]1 57815211 XYWPCRNITXYBHQ-XNTDXEJSSA-N 412.467 3.492 0 40 HGAB CCS(=O)(=O)c1ccccc1C(=O)NCc1ccc(N2CCCCCC2)nc1 59118005 UXGHYILBZINSHG-UHFFFAOYSA-N 401.532 3.186 0 40 HGAB CCSc1ccccc1C(=O)NCC1CCN(S(=O)(=O)c2cccnc2)CC1 70933427 XQEUVXBYQWSPDF-UHFFFAOYSA-N 419.572 3.024 0 40 HGAB CCCCOCCN(c1ccc(Br)cc1)S(=O)(=O)c1cnn(C)c1 72289878 XNJSIIQZMCIBFE-UHFFFAOYSA-N 416.341 3.195 0 40 HGAB CCOc1ccc(-c2n[nH]c(=S)n2CCC(=O)N[C@H](C(=O)OC)C(C)(C)C)cc1 72292574 RCFNSFDMOKLMJY-MRXNPFEDSA-N 420.535 3.100 0 40 HGAB CCc1ccccc1NC(=O)CN(C)C(=O)[C@@H](C)N(C)Cc1ccc(Cl)nc1 72308170 QSFDHFPNADAETA-OAHLLOKOSA-N 402.926 3.215 0 40 HGAB O=C(/C=C/c1ccc2c(c1)OCO2)NCCc1nc2c(c(C(F)(F)F)n1)CCCC2 77101219 MQGMRDMHGYEIRD-SOFGYWHQSA-N 419.403 3.475 0 40 HGAB COc1ccc(Cl)cc1C(=O)N1CCc2nc(NC(=O)[C@H]3CCCO3)sc2C1 77192024 GPFCIOLWEAOJRJ-OAHLLOKOSA-N 421.906 3.121 0 40 HGAB C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1CNC(=O)Nc1nnc(C2CC2)s1 78954148 AWYALKQWMMIZDG-CMPLNLGQSA-N 411.528 3.298 0 40 HGAB CCOc1ccc(/C=c2/sc3nc(-c4ccc(OC)cc4)nn3c2=O)cc1OCC 95951084 LBPRWGFSGUMRQX-CPNJWEJPSA-N 423.494 3.172 0 40 HGAB O=C(C[C@H]1CC2(CCN(C(=O)C3CCOCC3)CC2)Oc2ccccc21)NC1CC1 96080001 PYOFUVPCIRLBRS-SFHVURJKSA-N 412.530 3.009 0 40 HGAB COC(=O)/C(=C/Nc1ccc2c(c1)OCCO2)S(=O)(=O)c1ccc(C(C)C)cc1 100025898 LJIDHQVCCTWPQF-MOSHPQCFSA-N 417.483 3.481 0 40 HGAB CCOc1cc2c(cc1CN1C[C@H]3CCC[C@H](C1)C3(O)c1nccn1C)O[C@H](C)C2 100150175 LVTZFZLXQGDXST-NSISKUIASA-N 411.546 3.262 0 40 HGAB O=C(COC(=O)[C@H]1[C@@H]2C[C@H]3OC(=O)[C@H]1[C@H]3C2)Nc1cc(C(F)(F)F)ccc1Cl 100646816 YISJDWXIOAZCNV-XHOOZROUSA-N 417.767 3.038 0 40 HGAB O=C(CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)Nc1cccc(C2SCCCS2)c1 103873324 FUQAFIQAJQGLKZ-HZPDHXFCSA-N 402.541 3.445 0 40 HGAB C[C@H](Sc1n[nH]c(=O)n1Cc1ccccc1)C(=O)N[C@@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 104655519 DPCTXGOBMWBJRB-IAVJCBSLSA-N 400.548 3.041 0 40 HGAB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3)C2=O)cc(OC)c1O 210806130 GDGPXMGWHBWZKU-MHWRWJLKSA-N 414.439 3.084 0 40 HGAB C[C@@H](C(=O)NCCCc1ccc(Cl)cc1)N(c1ccccc1F)S(C)(=O)=O 220313120 BPTZIWOVKBYEDE-AWEZNQCLSA-N 412.914 3.383 0 40 HGAB CC[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)N(c1cccc(OC)c1)S(C)(=O)=O 220631308 AVLGTVRCDNCOHA-IFXJQAMLSA-N 408.495 3.256 0 40 HGAB Cc1ccc(Cl)cc1N1CCN(C(=O)c2cccc(N(C)S(C)(=O)=O)c2)CC1 222412644 IDPQGIZIRKTEJV-UHFFFAOYSA-N 421.950 3.007 0 40 HGAB COc1ccc(CCNC(=O)c2cccc(N(C)S(=O)(=O)c3ccccc3)c2)cc1 222530222 JQCYNVDBZNPNKF-UHFFFAOYSA-N 424.522 3.493 0 40 HGAB COc1cccc(N([C@@H](C)C(=O)NCc2cccc3ccccc23)S(C)(=O)=O)c1 222882069 HENZSLNJFZRVLH-INIZCTEOSA-N 412.511 3.319 0 40 HGAB CC(C)C(=O)Nc1nnc(S(=O)(=O)NCCCc2cccc3ccccc23)s1 222956828 IDQJJGMCERZBIL-UHFFFAOYSA-N 418.544 3.197 0 40 HGAB COc1cccc(COC(=O)c2snnc2-c2cnc(SC)nc2)c1OC 223856025 HSFVZLMHXJWKGZ-UHFFFAOYSA-N 404.473 3.091 0 40 HGAB O=C(C1CC1)N1CCc2cc(S(=O)(=O)NCc3cccc(C(F)(F)F)c3)ccc21 224486046 LXWMDGZCPKFYMO-UHFFFAOYSA-N 424.444 3.483 0 40 HGAB CCc1ccc(OCCNC(=O)CCCN(c2cccc(C)c2)S(C)(=O)=O)cc1 224627432 SNBARLVKTBUQRO-UHFFFAOYSA-N 418.559 3.299 0 40 HGAB COc1ccc(N(CC(=O)O)S(=O)(=O)c2ccc(OC)c(Cl)c2)cc1Cl 224960827 XZJXIYCOFWIJNM-UHFFFAOYSA-N 420.270 3.291 0 40 HGAB CCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)COc1ccccc1OC 225423505 PGTGKQUAZCXVNK-FQEVSTJZSA-N 412.530 3.450 0 40 HGAB COc1ccc([C@H](C)NC(=O)C[C@H](NS(C)(=O)=O)c2ccc(Cl)cc2)cc1 225949472 NZWOSSAULVVHEY-UGSOOPFHSA-N 410.923 3.206 0 40 HGAB Cc1cn(-c2ccccc2)nc1O[C@H](C)C(=O)Nc1ccc(N2CCOCC2)cc1 226851884 MDFPALJNLQZNLX-GOSISDBHSA-N 406.486 3.423 0 40 HGAB CCc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)[C@]2(COC)C(N)=S)cc1 252514833 FARKNSCSKHTFEJ-SFHLNBCPSA-N 403.569 3.416 0 40 HGAB O=C(NCc1nnc2ccc(-c3ccsc3)nn12)c1ccc(C(F)(F)F)nc1 253400831 MABRBVWQRUOPGI-UHFFFAOYSA-N 404.377 3.197 0 40 HGAB COc1cccc(-c2cncc([C@@H]3CN(C(=O)Cn4ccnc4C(C)C)CCO3)n2)c1 257251301 JQEMYLXUQVFYEN-NRFANRHFSA-N 421.501 3.072 0 40 HGAB CN(CCc1ccccn1)C(=O)[C@H]1C[C@H]2CC[C@H]1C[C@@]21NC(=O)c2ccccc2N1 257256016 KJTICVVPLUWICF-SKYHNFRHSA-N 404.514 3.071 0 40 HGAB CCn1c(=O)n(CC)c2cc(-c3cc(-c4ccc(O)c(OC)c4)n(CCO)n3)ccc21 257262719 LMODMTGHARPBBD-UHFFFAOYSA-N 422.485 3.080 0 40 HGAB COC[C@@H](C)NC(=O)CN1CCC(c2cccc(Nc3nc(C)c(C)s3)n2)CC1 257284072 PBDMVEGLSJRADU-CQSZACIVSA-N 417.579 3.229 0 40 HGAB Cc1nccn1[C@@H]1CCC[C@@H](N(C)C(=O)c2ccc3nc(C(F)(F)F)[nH]c3c2)[C@H]1O 257336548 YOXWJZGUKSDBKA-BRWVUGGUSA-N 421.423 3.313 0 40 HGAB CN1CCN(C(=O)c2cccn2C)C[C@H]1c1nnn2cc(-c3cccc(F)c3)ccc12 306130415 JFUDZINYYOHNSV-NRFANRHFSA-N 418.476 3.003 0 40 HGAB CCOc1cc(/C=C2/SC(=O)N(CCOC)C2=O)cc(Br)c1O 409134257 OLFIDYFFLIQGJJ-XYOKQWHBSA-N 402.266 3.236 0 40 HGAB COC(=O)c1ccc2nc(NC(=S)NCc3ccc4c(c3)OCO4)sc2c1 409190773 WCQJERGLVSDLMW-UHFFFAOYSA-N 401.469 3.298 0 40 HGAB Cc1ccccc1/C=C1/SC(=O)N(CC(=O)N2CCN(c3ccccc3)CC2)C1=O 409205216 AIIURJACEGRJGJ-HMMYKYKNSA-N 421.522 3.380 0 40 HGAB O=C1C[C@H](c2ccc(Br)cc2)c2c(O)nc(N3CCCCC3)nc2N1 585655760 FRNIYZGHAWNOGX-CYBMUJFWSA-N 403.280 3.409 0 40 HGAB CCOc1cc(C=c2sc3n(c2=O)CCN=3)ccc1OCc1ccc(Cl)cc1 585680344 VZKWIXAVNFVEQU-UHFFFAOYSA-N 414.914 3.003 0 40 HGAB Cn1ccnc1CN1CC[C@@](C)(O)[C@@H](NC(=O)CC(C)(C)C)[C@@H]1c1cccs1 604383122 NCJZRRFDSZSIKW-IRFCIJBXSA-N 404.580 3.101 0 40 HGAB biogenic,in-vitro CC1CCN(Cc2ccc(NC(=O)[C@@H]3CC(=O)N(C)[C@@H]3c3cccnc3)cc2)CC1 605401462 UZLQPTFLRNASLT-FYYLOGMGSA-N 406.530 3.472 0 40 HGAB CCn1cncc1[C@H]1CCCCN1C(=O)CNC(=O)c1ccc(C(F)(F)F)cc1 644595848 NBOHPJRXTYNTMF-MRXNPFEDSA-N 408.424 3.405 0 40 HGAB O=C(NC[C@H]1CCCCC1(F)F)c1cccc(S(=O)(=O)NC2CCCC2)c1 1534096103 HRRNBBAVNBRNDW-OAHLLOKOSA-N 400.491 3.463 0 40 HGAB O=C(CC1(N2Cc3ccccc3C2=O)CCCCC1)NCc1nnc2ccccn12 1548348466 MQHBAUFMGOIJEX-UHFFFAOYSA-N 403.486 3.095 0 40 HGAB O=C(c1ccc2nccnc2c1)N1CC[C@@H]2CN(c3cc(C(F)(F)F)ccn3)C[C@H]21 2087158705 LZYYNHPHLWQCJL-RDTXWAMCSA-N 413.403 3.395 0 40 HGAB Cc1cccc(NC(=O)[C@H](C)OC(=O)CCCN2C(=O)c3ccccc3C2=O)c1C 1984665 OBKPZEBQUXKDFH-INIZCTEOSA-N 408.454 3.250 0 40 HGAB COc1ccc(CCNC(=O)CSCC(=O)N[C@@H]2CCCc3ccccc32)cc1 2635689 ATRSQVCZPLOBBZ-OAQYLSRUSA-N 412.555 3.281 0 40 HGAB COc1ccc(NC(=O)CSc2nc3c([nH]c4ccccc43)c(=O)n2C)c(OC)c1 2720119 YLZZERLSOAQXPR-UHFFFAOYSA-N 424.482 3.163 0 40 HGAB C[C@@]12CCC(=O)N1[C@@H](C(=O)Nc1nc(SCc3ccccc3)ns1)CS2 3424696 SNKHHBRAYJEFRD-SJKOYZFVSA-N 406.558 3.223 0 40 HGAB CCCCn1c(=O)c2c(nc3n2C[C@@H](C)CN3c2cccc(Cl)c2C)n(C)c1=O 4249478 QFZVHUBXRFRIBE-ZDUSSCGKSA-N 415.925 3.446 0 40 HGAB CCOC(=O)c1ccc(NC(=O)c2cccn(OCc3ccc(F)cc3)c2=O)cc1 4325952 OKDSTRMQOXEIPT-UHFFFAOYSA-N 410.401 3.045 0 40 HGAB CC(C)(C)NC(=O)[C@H](c1ccccc1)N(Cc1cccnc1)C(=O)c1csnn1 4858874 DNCVSEVXWNQCNS-SFHVURJKSA-N 409.515 3.232 0 40 HGAB CCOc1ccccc1NC(=O)COC(=O)[C@H]1CC(=O)N(c2ccc(CC)cc2)C1 4942511 KMQMLQCJPMRGLC-KRWDZBQOSA-N 410.470 3.183 0 40 HGAB CCOc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3cc(C)cc(C)c3)C2)cc1 4942520 IPFHSWMXKONMHR-QGZVFWFLSA-N 410.470 3.237 0 40 HGAB CC(C)(C)CC(=O)N1CCC[C@H](c2nc(O)c3nnn(Cc4ccccc4)c3n2)C1 5624912 GIFUHYXPKOBYOU-INIZCTEOSA-N 408.506 3.117 0 40 HGAB Cc1ccc(NC(=O)[C@H](C)OC(=O)C[C@@H](NC(N)=O)c2ccccc2Cl)cc1 5630203 OSTNAJHZICKBRO-SUMWQHHRSA-N 403.866 3.318 0 40 HGAB Cc1ccc(NS(=O)(=O)c2cccs2)cc1S(=O)(=O)N1CCCCCC1 6024039 JUCGMMKFWOTYGC-UHFFFAOYSA-N 414.574 3.422 0 40 HGAB O=C(Cn1c(=O)n(Cc2ccc(F)cc2)c(=O)c2sccc21)Nc1ccccc1 6679340 FSMQQLQHJMLAOO-UHFFFAOYSA-N 409.442 3.051 0 40 HGAB COc1ccc(NC(=O)COCc2cc(-c3ccc4c(c3)OCO4)on2)c(OC)c1 6876334 QDDGKYDZGQXQMI-UHFFFAOYSA-N 412.398 3.243 0 40 HGAB CCn1c(SCC(=O)Nc2cc(Cl)ccc2-n2cncn2)nnc1C1CC1 7618522 CAIQKDFTTVMKJR-UHFFFAOYSA-N 403.899 3.140 0 40 HGAB CCCOc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)cc1 8109693 GQAGCAWYILNCQB-UHFFFAOYSA-N 422.934 3.276 0 40 HGAB COc1ccc(Cc2c(O)nc(SCC(=O)Nc3ccc(C)cc3)[nH]c2=O)cc1 8694869 XZRKHQJPVQBQOA-UHFFFAOYSA-N 411.483 3.114 0 40 HGAB Cn1c(SCC(=O)Nc2ccccc2F)nnc1-c1ccc2c(c1)OCCO2 9096180 KGLPLYVFBIBGPF-UHFFFAOYSA-N 400.435 3.123 0 40 HGAB COc1ccc2nc(NC(=O)CSc3nnnn3Cc3cccs3)sc2c1 9740866 BNFDXVYAPGLMBZ-UHFFFAOYSA-N 418.529 3.132 0 40 HGAB O=C(NCc1ccco1)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 9971973 KGBPZPPJABVIPL-HNNXBMFYSA-N 421.428 3.340 0 40 HGAB Cn1c(=O)n(C)c2cc(NC(=O)CSc3nc4ccc(Cl)cc4[nH]3)ccc21 10006452 WUIPOHSZRJPVPR-UHFFFAOYSA-N 401.879 3.138 0 40 HGAB O=C(CNc1cc2c(cc1Cl)OCCO2)Nc1cc(Cl)ccc1-n1cncn1 10940233 NDWZITSLEBDCNK-UHFFFAOYSA-N 420.256 3.396 0 40 HGAB O=C(CNc1cc(Cl)ccc1Sc1ccccc1)N[C@H]1CCS(=O)(=O)C1 11619780 BLFYABRTPCXLFK-AWEZNQCLSA-N 410.948 3.206 0 40 HGAB O=C(Nc1nnc(Cc2ccc(Cl)s2)o1)c1cccc(N2C(=O)CCC2=O)c1 11694687 LJNCMJKCPNZLMN-UHFFFAOYSA-N 416.846 3.281 0 40 HGAB CCCCOc1ccc(NC(=O)[C@@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@@H]3OC(C)(C)O[C@H]23)cc1 11852623 BCTINLARZZWKRE-VAVNGKDRSA-N 421.490 3.201 0 40 HGAB biogenic CC1CCN(c2nc3c(c(=O)[nH]2)CCN(Cc2ccc(OC(F)(F)F)cc2)C3)CC1 12182760 JNYCSTANKJALSB-UHFFFAOYSA-N 422.451 3.463 0 40 HGAB O=S1(=O)c2ccccc2[C@@H](O)[C@@H](Cc2c[nH]c3ccccc23)N1Cc1ccncc1 12324634 IPBXYRWZQMLCNI-FYYLOGMGSA-N 419.506 3.412 0 40 HGAB COc1cccc(CNC(=O)NCC(=O)Nc2ccc(Br)cc2C)c1 12751941 NVOGAZWRPASVDN-UHFFFAOYSA-N 406.280 3.204 0 40 HGAB CCNC(=O)NC(=O)CSc1nc2sc(C)c(C)c2c(=O)n1C1CCCC1 12820479 OCEGGUHVGPQFSA-UHFFFAOYSA-N 408.549 3.128 0 40 HGAB Cc1ccc([C@H](OC[C@@H](O)Cn2cnc3ncccc3c2=O)c2ccccc2)cc1 12865907 VVODODGUUWSEMZ-RBBKRZOGSA-N 401.466 3.267 0 40 HGAB COC(=O)c1ccc(NC(=O)Cc2c(C)c3c(OC)cc(OC)cc3oc2=O)cc1 12901021 TVTNDXBTLWIQIK-UHFFFAOYSA-N 411.410 3.086 0 40 HGAB biogenic Cc1c(C(=O)NCc2ccccc2CN(C)C)sc2nc3n(c(=O)c12)CCCCC3 12919772 XJSNGAKNLPSVQO-UHFFFAOYSA-N 424.570 3.484 0 40 HGAB COc1ccc(CNC(=O)c2ccccc2SCC(=O)N2CCCC2)cc1OC 12971503 IXPKXQLOSLDIFB-UHFFFAOYSA-N 414.527 3.348 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccccc2OC)cc1 14006528 ORKRJUNJHGRLIE-OAHLLOKOSA-N 406.504 3.132 0 40 HGAB O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)NCc1ccc(F)cc1 15398014 AZQXPLWZPXRBHK-UHFFFAOYSA-N 416.449 3.477 0 40 HGAB CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@H](C)c2ccccc2OC)ccc1OC 15471542 WYEVSPACEUOAMD-OAHLLOKOSA-N 420.531 3.225 0 40 HGAB COc1cccc(OC)c1C(=O)NCCn1nc(-c2ccc(Cl)cc2)ccc1=O 16960715 SRAHEUIBVDWRRV-UHFFFAOYSA-N 413.861 3.011 0 40 HGAB Cc1ccc(C(=O)N2CCC[C@H]2c2cc3nc4c(c(O)n3n2)CN(C(C)C)CC4)cc1 19135256 NBXUYSNTFSOESZ-NRFANRHFSA-N 419.529 3.487 0 40 HGAB COc1ccc(-n2nc(C)cc2NC(=O)Cn2c(=O)cc(C)c3ccccc32)cc1 19566529 NMZJBZLFBQOZFV-UHFFFAOYSA-N 402.454 3.451 0 40 HGAB CN(CCO)C(=O)c1sc2ncccc2c1[C@@H]1CCN(CCc2ccccc2)C1 19702031 WIMPBWHDIIFIFR-GOSISDBHSA-N 409.555 3.393 0 40 HGAB CN(C)S(=O)(=O)c1ccc(CNC(=O)c2noc3c2C[C@H](C(C)(C)C)CC3)cc1 19716501 IMRTZLIFKBUAMJ-OAHLLOKOSA-N 419.547 3.006 0 40 HGAB CCOC(=O)[C@@H]1C(=O)N(CCCOC)c2nc3ccccc3n2[C@H]1c1ccc(C)cc1 19818321 GXIYVXYNSZYBGX-SFTDATJTSA-N 421.497 3.497 0 40 HGAB CS(=O)(=O)N1C[C@H](C(=O)Nc2ccc(F)c(Cl)c2)Oc2ccc(Cl)cc21 20489677 LGKOGWGSGDWJGH-OAHLLOKOSA-N 419.261 3.298 0 40 HGAB O=C(C[C@@H]1C(=O)Nc2nc(-c3ccccc3)nn21)Nc1cccc(C(F)(F)F)c1 20733455 MIKDFHRWZNCDIB-CQSZACIVSA-N 401.348 3.486 0 40 HGAB COC(=O)c1cccc(NC(=O)N2CCc3nc[nH]c3[C@@H]2c2ccc3c(c2)OCO3)c1 20763370 YDBCGNDDHHQXLG-FQEVSTJZSA-N 420.425 3.105 0 40 HGAB biogenic CCOC(=O)[C@](NC(=O)c1ccccc1)(N1CCc2ccccc2C1)C(F)(F)F 20792356 XCBZKRPMTVWSPY-FQEVSTJZSA-N 406.404 3.296 0 40 HGAB O=C(OCCN1CCCC1=O)c1cnn2c(C(F)(F)F)cc(-c3ccccc3)nc12 21788804 VAIKUFQJGMDTSR-UHFFFAOYSA-N 418.375 3.194 0 40 HGAB Cc1ccc([C@H](CC(=O)OC(C)C)NC(=O)CCn2c(=O)n(C)c3ccccc32)cc1 22139772 ZYTSLTZIISLYJG-IBGZPJMESA-N 423.513 3.238 0 40 HGAB Cn1cc(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)c(=O)c2cc(F)ccc21 22236535 FBEIOTZEKDTDIM-VMPITWQZSA-N 405.473 3.149 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCCc3ccccc3)C2)cc1 22258879 STYHGUGOYHAIKL-HXUWFJFHSA-N 400.544 3.145 0 40 HGAB CC[C@@H](NC(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O)c1ccc(OC)cc1 22373495 RXEOHEHZXKMDSF-GOSISDBHSA-N 412.458 3.007 0 40 HGAB COc1cccc(CCCNC(=O)CN(c2c(C)cc(C)cc2C)S(C)(=O)=O)c1 22401213 CJOYKLUFQSOFDN-UHFFFAOYSA-N 418.559 3.135 0 40 HGAB CCOC(=O)c1ccc(NC(=O)CN(c2ccccc2C)S(C)(=O)=O)cc1Cl 22432139 VKYZFCWQRLVDAA-UHFFFAOYSA-N 424.906 3.230 0 40 HGAB Cc1nc2sc([C@@H](c3ccc(Cl)c(Cl)c3)N3CCN(C)CC3)c(O)n2n1 22468406 LIQQOQQXAISNDD-CQSZACIVSA-N 412.346 3.448 0 40 HGAB COc1ccc(-c2noc(CN3CCN(C(=O)/C=C/c4cccc(C)c4)CC3)n2)cc1 22604029 GZUQGOHETVMUQB-IZZDOVSWSA-N 418.497 3.411 0 40 HGAB CCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N2C[C@H](C)O[C@H](C)C2)cc1 24435612 QRGSEOZXDSPBPT-IYBDPMFKSA-N 418.515 3.136 0 40 HGAB O=C1c2ccccc2C(=O)N1C[C@@H](O)CN1CCC(c2nc3ccccc3s2)CC1 24949594 OGJKGEFKDKABRU-INIZCTEOSA-N 421.522 3.133 0 40 HGAB COc1cc(C(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)cc(Cl)c1OC 24971330 IGMRMUYYVPSAMA-UHFFFAOYSA-N 410.879 3.050 0 40 HGAB COc1cc(CN(C)S(=O)(=O)c2cccs2)c(OC)cc1Br 25005944 TVUJYVGMBXJJNO-UHFFFAOYSA-N 406.323 3.349 0 40 HGAB COc1cc(CNc2ccc(S(=O)(=O)N3CCCC3)cn2)ccc1OC(F)F 26759204 KWXHTYOZZZPKGJ-UHFFFAOYSA-N 413.446 3.088 0 40 HGAB CCOC(=O)c1ccsc1NC(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1 28970686 JOVNGSURIPCFKA-UHFFFAOYSA-N 421.950 3.335 0 40 HGAB Cc1ccccc1CN1CCCN(CC(=O)Nc2ccc(Br)cn2)CC1 30154155 KRQHLJDHWIBVTH-UHFFFAOYSA-N 417.351 3.299 0 40 HGAB CC(C)c1cccc(NS(=O)(=O)c2ccc(N3C[C@@H](C(=O)O)CC3=O)cc2)c1 32083452 ICZQSCYHRFHZMP-HNNXBMFYSA-N 402.472 3.048 0 40 HGAB CC(C)c1cc(C(=O)N2CCN(Cc3ccccn3)CC2)c2cnn(C(C)C)c2n1 33238075 NLTAZVRAXODEGY-UHFFFAOYSA-N 406.534 3.489 0 40 HGAB COCn1cc(NC(=O)Cn2nc(C)c3c(C(F)(F)F)cc(C4CC4)nc32)cn1 36615352 YKLHXTYUBSYHMT-UHFFFAOYSA-N 408.384 3.075 0 40 HGAB Cc1nc(-c2ccc(CNC(=O)[C@H]3CC(=O)N(CCc4ccccc4)C3)o2)cs1 40012241 OOJGULVIXTUMLP-KRWDZBQOSA-N 409.511 3.419 0 40 HGAB O=C(Nc1ccccc1Cn1cncn1)[C@H]1CC(=O)N(c2cccc3ccccc23)C1 55968906 VNOUGFZQARKUMD-IBGZPJMESA-N 411.465 3.471 0 40 HGAB COc1ccc(C(=O)CNC(=O)CCC(=O)N2CCC[C@H]2c2ccc(F)cc2)cc1 62580961 TUHPSUVEGXODBS-FQEVSTJZSA-N 412.461 3.277 0 40 HGAB CCOC(=O)c1ccc(NC(=O)CSc2nc3ccccc3n3c(C)nnc23)cc1 64948993 FRDYNVQWMVNRPB-UHFFFAOYSA-N 421.482 3.493 0 40 HGAB CCN(C(=O)c1[nH]c2ccc(Br)cc2c1Cl)[C@H]1CCS(=O)(=O)C1 65523641 GRSNVCLXGRUPQR-JTQLQIEISA-N 419.728 3.233 0 40 HGAB O=C(CN1CC[C@@H](c2ccccc2)C1)NC1CCN(C(=O)CCc2ccccc2)CC1 69569987 LIYXUXZRZGUCII-HSZRJFAPSA-N 419.569 3.216 0 40 HGAB CCOc1ccccc1CNC(=O)c1cn(-c2ccc(-c3nc(CC)no3)cn2)cn1 71768339 LOFZFJBVUQBOCK-UHFFFAOYSA-N 418.457 3.208 0 40 HGAB O=C(CNC(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1)Nc1ccc(O)cc1 72401398 UARJRPLTHPPBQM-UHFFFAOYSA-N 423.300 3.169 0 40 HGAB Cc1ccc(N2CCC(C(=O)N3CCN(c4ccc(F)c(Cl)c4)CC3)CC2)nn1 77200502 UROFUDSFEXGBBU-UHFFFAOYSA-N 417.916 3.143 0 40 HGAB Cc1cc(CCC(=O)N2CCC(c3ccnn3CCO)CC2)ccc1Br 95451138 KMCAVYMRWUUHGJ-UHFFFAOYSA-N 420.351 3.285 0 40 HGAB CCOC(=O)[C@]12CCCN(Cc3ccccn3)C[C@H]1CN(Cc1cccc(C)n1)C2 96056083 FZTCTXUCQKITSW-RDPSFJRHSA-N 408.546 3.062 0 40 HGAB COCCN(C)c1nc(C2CCN(C(=O)c3cccs3)CC2)cc2c1ncn2C 96099972 DGMWEYLPTHKLRI-UHFFFAOYSA-N 413.547 3.132 0 40 HGAB Cc1cc(C(=O)NC2CCN(C(=O)C3(c4cccc(Cl)c4)CCC3)CC2)on1 97160213 LXMDASXMWZQDQP-UHFFFAOYSA-N 401.894 3.479 0 40 HGAB O=C(/C=C/c1ccc(Cl)cc1)NC(=S)N1C[C@H]2C[C@H](C1)c1cccc(=O)n1C2 100749979 HLARKQDFTHYYRL-HKFHSAMXSA-N 413.930 3.035 0 40 HGAB O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)Nc1nc(-c2ccccc2Cl)cs1 102399811 PZCKNHGITSZSEF-BNBDDXAPSA-N 413.886 3.209 0 40 HGAB CCOCCCNS(=O)(=O)c1ccc(N[C@H](C)c2ccccc2)c(C(=O)O)c1 217641905 RMUGFDGCOBGSJD-OAHLLOKOSA-N 406.504 3.263 0 40 HGAB Cc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccccc3)[C@@]2(CN)NC(=O)OC(C)(C)C)cc1 218609042 TZNSCRNWRYDTDD-JQVVWYNYSA-N 416.543 3.157 0 40 HGAB Cc1ccc(-c2noc(CN(C)C(=O)c3cccc(CN4CCOCC4)c3)n2)cc1 219248857 CPHDKKYHCUYIHL-UHFFFAOYSA-N 406.486 3.149 0 40 HGAB CC[C@H](NC(=O)CCCN1C(=O)c2ccccc2S1(=O)=O)c1ccc(C)cc1 219446035 FMOZTXCUIMNSCW-SFHVURJKSA-N 400.500 3.187 0 40 HGAB CCOc1ccc(N([C@H](CC)C(=O)NCc2ccc(C)cc2)S(C)(=O)=O)cc1 220667506 IMZFKIGHQULRAZ-HXUWFJFHSA-N 404.532 3.255 0 40 HGAB COc1ccc(S(=O)(=O)NC[C@@H]2COc3ccccc3O2)c(Cl)c1Cl 225248614 DWUCMEFMYQMDSW-SNVBAGLBSA-N 404.271 3.120 0 40 HGAB COc1ccc2c(c1)CCC[C@@]2(O)CNS(=O)(=O)c1cccc(C(F)(F)F)c1 225712540 DGNRTNWJTAAIRM-GOSISDBHSA-N 415.433 3.216 0 40 HGAB Cc1ccc(C)c(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCCC[C@H]4C)nc(O)c32)c1 253567709 KJFURFLTHJBMKO-HUUCEWRRSA-N 409.490 3.242 0 40 HGAB COc1ccccc1C=c1sc2nc(-c3ccccc3Br)nn2c1=O 254700216 JMDRHDNGMINCNM-UHFFFAOYSA-N 414.284 3.137 0 40 HGAB Cc1cccc(Nc2cc(C)nc(C3CCN(CCC(=O)N4CCOCC4)CC3)c2)n1 257219506 DHAJFSQBABGRKZ-UHFFFAOYSA-N 423.561 3.265 0 40 HGAB O=S(=O)(c1ccc(F)c(F)c1)N1CCCC[C@@H]1c1nnc(-c2ccccn2)o1 257246543 IUPLSCABVTYLRM-MRXNPFEDSA-N 406.414 3.326 0 40 HGAB NC(=O)c1cccc(-c2cccc([C@@H]3CN(C(=O)CCc4ccccc4)CCO3)n2)c1 257327476 XBMFNESXKZJLTA-QHCPKHFHSA-N 415.493 3.380 0 40 HGAB CCc1ccc(N([C@H](C)C(=O)N[C@H](C)c2ccc(OC)cc2)S(C)(=O)=O)cc1 260592364 UVPJGVSWJQFBON-HZPDHXFCSA-N 404.532 3.290 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NC(C)(C)CC(C)(C)C)C2)cc1 260850826 RPFJOSVCHHPNIE-INIZCTEOSA-N 410.580 3.427 0 40 HGAB CCOC(=O)c1ccc(NC(=O)[C@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)cc1 408560245 XYOJCIDZNIDLPJ-ZDUSSCGKSA-N 424.906 3.310 0 40 HGAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3c(F)cccc3F)C2)cc1 408561832 VTXOKJXGWDWGGJ-CQSZACIVSA-N 424.469 3.403 0 40 HGAB COC[C@@H](C)NC(=O)CN(c1cccc(Cl)c1C)S(=O)(=O)c1ccc(C)cc1 408610362 QIGSBGLNSWBOQQ-OAHLLOKOSA-N 424.950 3.303 0 40 HGAB COc1ccc([C@H]2[C@@H](NC(=O)c3ccccc3)C(=O)N/[N+]2=C\c2ccc(C)cc2)cc1 409059606 SMHAFNGUVCRNNG-AYHYUOJHSA-O 414.485 3.020 0 40 HGAB COc1cccc(NC(=O)[C@H](C)NS(=O)(=O)c2cc(Cl)ccc2Cl)c1 409389676 IGOKMWKCSQYQTD-JTQLQIEISA-N 403.287 3.308 0 40 HGAB CC(=O)[C@@H]1C[C@H](C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)C1(C)C 548038767 KYBWCODRJILWSO-LSDHHAIUSA-N 407.517 3.134 0 40 HGAB C[C@](CO)(NC(=O)Nc1nn(-c2ccc(F)cc2)c2c1CCC2)c1cccc(O)c1 1663107548 YDCYDYCDJACBBQ-JOCHJYFZSA-N 410.449 3.235 0 40 HGAB Cc1cccc(Cn2c(SCCc3ccccc3)nc3c2c(=O)[nH]c(=O)n3C)c1 678148 ZJVRNRILKKVRCU-UHFFFAOYSA-N 406.511 3.115 0 40 HGAB COc1ccc(CN2CC(=O)N3[C@@H](Cc4c([nH]c5ccccc45)[C@@H]3C)C2=O)cc1OC 2098487 TWFPAKJBNFOJBG-LIRRHRJNSA-N 419.481 3.042 0 40 HGAB biogenic C[C@H](Oc1ccc(Br)cc1)C(=O)Nn1c(=S)[nH]c2ccccc2c1=O 2970289 SOQQRLMZSUDOKV-JTQLQIEISA-N 420.288 3.359 0 40 HGAB COc1cccc(NC(=O)C(=O)NC[C@H](c2ccco2)N2CCc3ccccc32)c1 4305292 LMOKHSHGPYNASB-HXUWFJFHSA-N 405.454 3.147 0 40 HGAB O=C(CSC1=NS(=O)(=O)c2ccccc2N1)Nc1nc2ccccc2s1 4329609 HAWKMCYTYIQZLY-UHFFFAOYSA-N 404.498 3.138 0 40 HGAB C[C@H]1CCN(C(=O)CN2C(=O)N[C@]3(CCCC[C@H]3C)C2=O)c2ccccc2S1 4514800 GGFKATDCBPMOHP-WIEQDCTASA-N 401.532 3.405 0 40 HGAB Cc1ccc(NC(=O)C[S@@](=O)CC(=O)Nc2ccc3c(c2)CCC3)cc1Cl 4907109 QRGZSBKBNQLAJE-HHHXNRCGSA-N 404.919 3.463 0 40 HGAB CCOc1ccc(C(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)cc1OCC 5075541 YIEHYODDPPVYPF-UHFFFAOYSA-N 404.488 3.276 0 40 HGAB CCc1ccc(OCC(=O)N(Cc2ccccc2Cl)[C@H]2CCS(=O)(=O)C2)cc1 5084754 XNZFMQXPNCEVPE-SFHVURJKSA-N 421.946 3.497 0 40 HGAB COc1ccc(C2=NO[C@@]3(CC(=O)N(c4ccc(Cl)cc4)C3=O)C2)c(OC)c1 5341687 BLQNHVIXGJRTMI-HXUWFJFHSA-N 400.818 3.184 0 40 HGAB C[C@H]1CCc2c(sc(NC(=O)COC(=O)c3cc4ccccc4[nH]3)c2C(N)=O)C1 5530524 PXMQWMAKOHJEED-NSHDSACASA-N 411.483 3.249 0 40 HGAB Cc1ccc(C(=O)OCN2C(=O)c3ccccc3C2=O)cc1NC(=O)c1ccco1 5994883 HPSFXAQNFDFLSD-UHFFFAOYSA-N 404.378 3.251 0 40 HGAB CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)Nc2sccc2C(N)=O)cc1 6356937 GXDKCPXMCUHQJT-UHFFFAOYSA-N 421.544 3.053 0 40 HGAB COc1ccccc1NC(=O)Nc1ccc(S(=O)(=O)NCc2ccco2)cc1 6583663 LZTXEQOKRXTUSC-UHFFFAOYSA-N 401.444 3.411 0 40 HGAB CCOc1ccc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCCO)cc1OC 6752885 BUIFQZJEFWHKGS-QFIPXVFZSA-N 423.469 3.117 0 40 HGAB C[C@@H](OC(=O)CNC(=O)c1ccccc1F)C(=O)Nc1ccc(Cl)cc1Cl 6886934 NZXJMUZRRQNRER-SNVBAGLBSA-N 413.232 3.433 0 40 HGAB CC(=O)c1c(C)[nH]c(C(=O)Cn2cnc3ccc(Br)cc3c2=O)c1C 7328195 BVAORDYYCJOBLU-UHFFFAOYSA-N 402.248 3.189 0 40 HGAB COc1ccc(OC)c(NS(=O)(=O)c2ccc(C)c(C(=O)N3CCCCC3)c2)c1 7360388 PLPIQPIQJHPOKP-UHFFFAOYSA-N 418.515 3.439 0 40 HGAB CC[C@@H](C)NC(=O)CN(c1nc2ccccc2s1)S(=O)(=O)c1ccccc1 7441938 LXAVRHWKXDJJMA-CQSZACIVSA-N 403.529 3.406 0 40 HGAB COc1ccc(Cl)cc1N1C[C@H](C(=O)Nc2ccc3c(c2)OCCO3)CC1=O 7598936 QVZDDELUIQVWON-GFCCVEGCSA-N 402.834 3.111 0 40 HGAB COc1cccc(CNC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)c1 7981349 FWUQEIOLKRFTRB-UHFFFAOYSA-N 405.479 3.450 0 40 HGAB O=C(Nc1ccccc1N1CCOCC1)C1CCN(C(=O)Nc2ccccc2)CC1 8024215 CFIUDBUZUJEJQR-UHFFFAOYSA-N 408.502 3.406 0 40 HGAB O=C(CCOc1cccc(Br)c1)NCCc1ccc2c(c1)OCCO2 8039328 ZPGJLKNREUCCHE-UHFFFAOYSA-N 406.276 3.348 0 40 HGAB COc1ccc(OC)c([C@H]2CCCN2C(=O)CCN2C(=O)c3ccccc3C2=O)c1 8062572 BEKAHAOEJIRMQY-LJQANCHMSA-N 408.454 3.054 0 40 HGAB CN(Cc1ccccc1N1CCCC1)S(=O)(=O)c1ccc(N2CCCC2=O)cc1 8163814 NWNAWTOFLFYUKW-UHFFFAOYSA-N 413.543 3.234 0 40 HGAB CCC(=O)c1ccc(OCc2nc3cc(S(=O)(=O)N(C)C)ccc3n2CC)cc1 8394374 GIRVQZUPXQUCRP-UHFFFAOYSA-N 415.515 3.478 0 40 HGAB C[C@H](NC(=O)COC(=O)CCCCCN1C(=O)c2ccccc2C1=O)c1ccccc1 8410565 SGOIYBDPYMQKQY-KRWDZBQOSA-N 422.481 3.264 0 40 HGAB O=C(OCC(=O)c1cccs1)c1cccc(C(=O)OCC(=O)c2cccs2)n1 8451525 CQVOKTCATAUFAJ-UHFFFAOYSA-N 415.448 3.284 0 40 HGAB O=C(NC[C@@H]1COc2ccccc2O1)c1cccc(OCc2cn3ccccc3n2)c1 8719927 DHUIAXABLGTOAN-HXUWFJFHSA-N 415.449 3.483 0 40 HGAB COCCN(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)c1ccc(OC)c(OC)c1 9233646 LJHKLYDWPJMUTM-UHFFFAOYSA-N 410.470 3.143 0 40 HGAB COc1ccc(Cl)cc1NC(=O)Cn1ccn2nc(-c3ccccc3)cc2c1=O 9321004 DOXJKILWIXDGJO-UHFFFAOYSA-N 408.845 3.464 0 40 HGAB COC(=O)c1cccc(NC(=O)[C@@H](C)N2c3cccc4cccc(c34)S2(=O)=O)c1 10296314 WKPUKBRNUOYWOJ-CYBMUJFWSA-N 410.451 3.162 0 40 HGAB CCNC(=O)NC(=O)[C@H](C)Sc1nnc(-c2cc3c(s2)CC[C@H](CC)C3)n1C 10440254 LAASXCMYNPZPBS-RYUDHWBXSA-N 421.592 3.385 0 40 HGAB COc1ccc(-c2cc(C(=O)O[C@H](C)C(=O)N3CCOCC3)c3ccccc3n2)cc1 11397906 PYVBPVYHDZNFPQ-MRXNPFEDSA-N 420.465 3.315 0 40 HGAB COc1ccc(S(=O)(=O)Nc2nc(C(=O)Nc3ccccc3OC)cs2)cc1 11693250 BOHSARBMDKVELX-UHFFFAOYSA-N 419.484 3.213 0 40 HGAB Cc1ccc(CN2CCC(c3nc(-c4cccnc4)ncc3S(C)(=O)=O)CC2)o1 12119401 GZKMKPLDMFHZNS-UHFFFAOYSA-N 412.515 3.223 0 40 HGAB COc1cccc(CC(=O)N2CCC(c3ccnc4nc(C(F)(F)F)nn34)CC2)c1 12158922 DTKLZOSIQBYORX-UHFFFAOYSA-N 419.407 3.100 0 40 HGAB O=C(CCNC(=O)N1CCc2c([nH]c3ccccc23)C1)N1CCc2ccccc2C1 12296645 OIYRIFUUIKYZQJ-UHFFFAOYSA-N 402.498 3.211 0 40 HGAB biogenic Cc1cc(N2CCN(C)CC2)ccc1NC(=O)CCCn1c(=O)oc2ccccc21 12515600 AROVUTMKBJUICX-UHFFFAOYSA-N 408.502 3.074 0 40 HGAB CC(C)c1nnc(NC(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)s1 12780866 BCGRWUIBRUPCMR-UHFFFAOYSA-N 422.576 3.407 0 40 HGAB COc1cc(OC)c([C@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3ncnn32)cc1OC 13123460 WDKLGICSUMGUFK-FQEVSTJZSA-N 421.457 3.232 0 40 HGAB COC(=O)COc1c(Cl)cc(/C=C2/N=C(c3ccccc3F)OC2=O)cc1OC 13564645 PILLFPJUORHZEE-OVCLIPMQSA-N 419.792 3.384 0 40 HGAB COc1ccc(-c2coc3cc(OCCN4CCOCC4)ccc3c2=O)cc1OC 13624445 WFWMBMXHGMBFSP-UHFFFAOYSA-N 411.454 3.188 0 40 HGAB biogenic O=C1N[C@]2(CCCc3sccc32)C(=O)N1C[C@@H](O)COCc1ccccc1Cl 14188241 YOXJLNBKATXQDU-VLIAUNLRSA-N 420.918 3.063 0 40 HGAB COc1ccc([C@H](NC(=O)c2ccc(N3CCCC3=O)cc2)c2nccn2C)cc1 16473550 NUYBKCFGYRLXJZ-NRFANRHFSA-N 404.470 3.075 0 40 HGAB O=c1/c(=C/c2c(F)cccc2Cl)sc2nc([C@@H]3COc4ccccc4O3)nn12 16742075 BYLHFEPARZKADG-CRNMQVKPSA-N 415.833 3.004 0 40 HGAB COc1ccc(/C=C/C(=O)N(Cc2cccc(F)c2)[C@H]2CCS(=O)(=O)C2)cc1 16753944 SFWYINNDPIZLPA-VQFGERMISA-N 403.475 3.063 0 40 HGAB CC(=O)c1ccc(S(=O)(=O)N2C[C@@H]3[C@@H](CCC[C@@]3(O)c3ccc(F)cc3)C2)cc1 19023163 UZYZCQFWDQHAPT-MTNREXPMSA-N 417.502 3.337 0 40 HGAB Cc1ccc(-c2ccccc2C[C@@H]2CN(C(=O)Cc3cccnc3)CCNC2=O)cc1 19212875 PTZVYPDMHFEXLJ-HSZRJFAPSA-N 413.521 3.417 0 40 HGAB O=C(Cc1ccccc1F)N1CCCC[C@H]1c1nn(CCO)cc1-c1ccncc1 19348137 IPLPFFLUJSBQCF-NRFANRHFSA-N 408.477 3.373 0 40 HGAB COc1ccc([C@@H]2CCCN2S(=O)(=O)c2cnn(C(F)F)c2C)c(OC)c1 19553068 WADWDOUFTDRXJQ-AWEZNQCLSA-N 401.435 3.130 0 40 HGAB Cc1cccc(-n2c(S[C@@H](C)C(=O)NC[C@H]3CCCO3)nc3ccccc3c2=O)c1 21451607 LUHGZGFTGZLWTK-FUHWJXTLSA-N 423.538 3.470 0 40 HGAB Cc1ccc(N(CC(=O)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)S(C)(=O)=O)cc1 22328013 IAMDLDKBLFMBPA-IBGZPJMESA-N 416.543 3.488 0 40 HGAB CS(=O)(=O)N(CC(=O)NCCCc1ccccc1Cl)c1ccc(F)c(F)c1 22373041 JOZKANPMSODNMB-UHFFFAOYSA-N 416.877 3.133 0 40 HGAB Cc1cc(S(=O)(=O)NCc2ccccc2-n2ccnc2C)ccc1N1CCCC1=O 22530419 OEDQWCZDHVOESL-UHFFFAOYSA-N 424.526 3.094 0 40 HGAB COc1ccc(CN2CCN(CC(=O)N(Cc3ccccc3F)C3CC3)CC2)cc1 22810596 XKSFMIBERPZEFB-UHFFFAOYSA-N 411.521 3.143 0 40 HGAB Cc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccco1)N1CCc2ccccc2C1 22907491 CAIRARGITDKZJT-NRFANRHFSA-N 403.482 3.442 0 40 HGAB Cc1c(O)ccc2c(CSc3n[nH]c(=O)n3CCc3ccccc3)cc(=O)oc12 24456546 DICJLUMSKKWGNE-UHFFFAOYSA-N 409.467 3.227 0 40 HGAB CSc1cccc(N2C[C@H](C(=O)N(C)C[C@@H]3COc4ccccc4O3)CC2=O)c1 24654720 CPEPCBHCLOGLOK-NVXWUHKLSA-N 412.511 3.060 0 40 HGAB C[C@@H](C(=O)NC1CC1)N1CCN(c2nc(-c3ccsc3)nc3ccccc23)CC1 24894287 GYEZXWVUDROMLX-HNNXBMFYSA-N 407.543 3.147 0 40 HGAB Cn1c(=O)n(Cc2ccc(OC(F)(F)F)cc2)c(=O)c2ccc(C(F)(F)F)nc21 26131822 VJIIGFITIMWOAW-UHFFFAOYSA-N 419.281 3.061 0 40 HGAB CC[C@@H](NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1)C12CC3CC(CC(C3)C1)C2 28323900 VQUJIWMVXAMCFA-JCFBCRGFSA-N 411.589 3.363 0 40 HGAB COc1ccc(C(=O)N2CCc3sccc3[C@H]2C)cc1S(=O)(=O)NC(C)C 30549285 VFGJNRPWTWHNKY-CYBMUJFWSA-N 408.545 3.203 0 40 HGAB CC[C@@H](C)c1ccccc1OS(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 32770591 LFDQAPGKRIAJPR-CQSZACIVSA-N 409.529 3.409 0 40 HGAB COc1cc(OC)c2cc(C(=O)NC[C@@H](c3ccsc3)N(C)C)[nH]c2c1OC 33047450 JKSNCMZFHYXTPV-HNNXBMFYSA-N 403.504 3.288 0 40 HGAB NS(=O)(=O)c1ccc(NC(=O)c2cc3occc3n2Cc2ccccc2F)cc1 36353902 ULWWDDFJUYJHEP-UHFFFAOYSA-N 413.430 3.321 0 40 HGAB Cc1ccc(Cl)cc1S(=O)(=O)NCCCN1CCO[C@@H](c2ccccc2)C1 36700323 FYQVBNMEVAJXEG-LJQANCHMSA-N 408.951 3.390 0 40 HGAB Cc1nnc(NC(=O)[C@H]2c3ccccc3C(=O)N(C)[C@@H]2c2ccc3c(c2)OCO3)s1 40267313 WSAMXEFVIJPCMT-ZWKOTPCHSA-N 422.466 3.124 0 40 HGAB O=C(CCn1nc(-c2ccccc2)ccc1=O)NCc1ccc(Br)cc1 41253541 PECRQMPIEMPYAL-UHFFFAOYSA-N 412.287 3.379 0 40 HGAB CCOc1cccc(CNC(=O)[C@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)c1 44900308 NNQGPOCAGXRXPS-AWEZNQCLSA-N 410.923 3.210 0 40 HGAB Cc1ccc([C@@H](C)NC(=O)[C@@H]2CCN(S(C)(=O)=O)c3ccccc3O2)c(C)c1 44935099 AZACBHAGSHCEPH-UZLBHIALSA-N 402.516 3.098 0 40 HGAB Cc1occc1C(=O)Nc1nc(CC(=O)NC[C@@H]2CCN(c3ccccc3)C2)cs1 48230786 QDKUXSALJTXCCN-INIZCTEOSA-N 424.526 3.482 0 40 HGAB CCc1noc(-c2ccc(SCC(=O)N3CCN(c4ccccc4)CC3)nc2)n1 49405593 MNXQORMAIUPIOU-UHFFFAOYSA-N 409.515 3.135 0 40 HGAB Cc1ccc(-c2cc3c(=O)n(CC(=O)Nc4cccc(Cl)c4)ncn3n2)c(C)c1 51316993 ZKRPKRQVWCTMSO-UHFFFAOYSA-N 407.861 3.467 0 40 HGAB O=C(CCc1ccccc1)NC1CCN(CCCn2c(=O)oc3ccccc32)CC1 58178525 JQGBCLMMXPIRSH-UHFFFAOYSA-N 407.514 3.198 0 40 HGAB COCc1nnc(NC(=O)c2cc(=O)c(OCc3ccc(Cl)cc3)co2)s1 61721998 YXRMJYXEGNYALJ-UHFFFAOYSA-N 407.835 3.122 0 40 HGAB COc1cc(/C=C/C(=O)NCCO)cc(Br)c1OCc1ccccc1F 62715620 NEJFFLHZQNBBCB-VOTSOKGWSA-N 424.266 3.298 0 40 HGAB C[C@@H](Oc1ccc(C(=O)N[C@@H]2CCCN(c3ncccn3)C2)cn1)c1ccccc1 65587917 AGTVNXXYQFUDHS-YLJYHZDGSA-N 403.486 3.410 0 40 HGAB COc1ccc(Cl)cc1NC(=O)Cn1nnc(C(=O)Nc2ccccc2F)c1C 67322192 CIBJYNOEKPNAHF-UHFFFAOYSA-N 417.828 3.279 0 40 HGAB CC(C)(C)OC(=O)CN1CCC[C@@H]1COC(=O)c1cc(C2CC2)nn1C(C)(C)C 72310836 XYPJHVFJJOYACL-MRXNPFEDSA-N 405.539 3.478 0 40 HGAB CN1CCC(N2CCOC[C@H]2c2nc(-c3ccc(OC(F)(F)F)cc3)c[nH]2)CC1 72321973 YVTMUKMGCVUPLP-SFHVURJKSA-N 410.440 3.443 0 40 HGAB biogenic,in-vitro C[C@@H](O)C[C@H](CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)c1ccccc1 79105766 CZYUJOCTJSEQQN-UKRRQHHQSA-N 403.422 3.418 0 40 HGAB CCC(=O)N1N=C(c2cccc(NS(C)(=O)=O)c2)C[C@@H]1c1cccc(OC)c1 79112562 NTIPJWRZGWFYRU-LJQANCHMSA-N 401.488 3.154 0 40 HGAB CC(=O)c1ccc(NC(=O)COC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C)N3)cc1 80338684 KHWQWPVOKANOHX-MEBBXXQBSA-N 424.379 3.189 0 40 HGAB Cc1nc(-c2cccs2)sc1CNC(=O)C[C@@H]1CSc2nccc(=O)n21 96342611 NDJLDZQWOXOIMP-LLVKDONJSA-N 404.542 3.090 0 40 HGAB CCn1/c(=N/C(=O)c2ccc(OC)c(OC)c2)sc2c(OC)ccc(OC)c21 100908803 DSYUHJBRVWOERS-MRCUWXFGSA-N 402.472 3.498 0 40 HGAB O=C(CCN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O)Nc1cc(Cl)ccc1Cl 102086147 BDAMNHUDBSXVGI-OPFBACGJSA-N 405.281 3.375 0 40 HGAB CN1CC[C@@]2(C(=O)Nc3cccnc3)CCN(C(=O)c3cccc(Cl)c3)CC[C@@H]12 107183208 VLJDUEHSLZKPFO-DENIHFKCSA-N 412.921 3.300 0 40 HGAB Cc1ccc(OCCNC(=O)CCCN(c2cccc(Cl)c2)S(C)(=O)=O)cc1 219632190 JJUPNRYXOUCVHH-UHFFFAOYSA-N 424.950 3.390 0 40 HGAB COc1ccc(OC)c(N([C@@H](C)C(=O)Nc2cccc(SC)c2)S(C)(=O)=O)c1 220213917 SOSZVPLOLTULCW-ZDUSSCGKSA-N 424.544 3.219 0 40 HGAB CC[C@@H](C(=O)NCCOc1cccc(C)c1)N(c1ccc(C)c(C)c1)S(C)(=O)=O 224312439 QTIMTXQWEFIWRY-NRFANRHFSA-N 418.559 3.352 0 40 HGAB CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N(C)Cc1ccc(C)cc1 224677216 NCLFFDGGOZAQKM-FQEVSTJZSA-N 404.532 3.207 0 40 HGAB COCc1cccc(NC(=O)CCCN(c2cc(C)ccc2OC)S(C)(=O)=O)c1 224764930 KNQQCDFEHFWMFP-UHFFFAOYSA-N 420.531 3.335 0 40 HGAB COC[C@H]1CCCN1Cc1nc(C2(O)CCN(C(=O)C3CCCCC3)CC2)cs1 225466874 JMLCFVPYDUKBAI-GOSISDBHSA-N 421.607 3.144 0 40 HGAB biogenic,in-vitro O=S(=O)(Nc1ccc(OCCOCCO)cc1)c1cc(Cl)ccc1Cl 226855629 MYLRNBAPDUWHQW-UHFFFAOYSA-N 406.287 3.182 0 40 HGAB Cc1cccc(C)c1OCC(=O)N1CCC[C@@H]1c1cncc(Nc2ncccn2)n1 257260962 LFFCXPCFFOTTPE-GOSISDBHSA-N 404.474 3.370 0 40 HGAB CN1C(=O)C2(CCN(C(=O)c3cc4ccccc4[nH]3)CC2)C[C@@H](O)[C@@H]1c1ccccc1 257276536 NUENSRSYAMAVHY-YADHBBJMSA-N 417.509 3.355 0 40 HGAB CCc1nccn1-c1ccc(C(=O)N2[C@@H]3CN(C(C)=O)[C@@H]4CCCC[C@H]2[C@]4(C)C3)cn1 257302182 SBUYGUUKWCDQCW-CMCWBKRRSA-N 421.545 3.224 0 40 HGAB O=C(COc1ccc(S(=O)(=O)NC2CCCC2)cc1Cl)NCc1ccccc1 408584064 LKAHQUALVHVIIN-UHFFFAOYSA-N 422.934 3.256 0 40 HGAB Cc1ccc(N(CCCC(=O)NCCSCc2ccco2)S(C)(=O)=O)cc1 408681229 QJWDQBREJRMHKE-UHFFFAOYSA-N 410.561 3.184 0 40 HGAB CC[C@H](C)NS(=O)(=O)c1ccc(OCC(=O)NCc2ccccc2Cl)cc1 409201652 XCSREQSHLJZCSI-AWEZNQCLSA-N 410.923 3.112 0 40 HGAB Cc1ccc(C2(C(=O)N3CCC4(CC3)NC(=O)[C@@H]3CN(CCC(C)C)C[C@@H]34)CC2)cc1 585106006 CQLVAANFDLOZMJ-YADHBBJMSA-N 423.601 3.112 0 40 HGAB COc1ccc(-c2nc(NC(=O)[C@@H]3CCCCN3Cc3ccccc3)n[nH]2)c(OC)c1 607284326 DHUDBLOVXKCUCY-IBGZPJMESA-N 421.501 3.482 0 40 HGAB O=C1c2ccccc2OCCN(C(=O)C2CCC2)CCCCC2(CO)CCN1CC2 643575364 QCEBSBLBQVLWMQ-UHFFFAOYSA-N 414.546 3.093 0 40 HGAB CC(=O)N1CCCCCCCN(CC(=O)N2C[C@H](C)O[C@H](C)C2)Cc2ccccc21 643576141 WWZSPCFHOXMGHM-BGYRXZFFSA-N 415.578 3.441 0 40 HGAB Cc1cnc(N(C)[C@@H]2CCCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)C2)nc1 1889212082 FZACZJVEMRASKB-OAHLLOKOSA-N 414.453 3.093 0 40 HGAB CCOc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCOCC3)ccc2Cl)cc1 3318101 SRNJTGVRKGQACW-UHFFFAOYSA-N 424.906 3.012 0 40 HGAB Cc1cc(C(=O)COC(=O)c2ccc(CO)cc2)c(C)n1Cc1ccc2c(c1)OCO2 3359177 ZABAMDQVDHDXIW-UHFFFAOYSA-N 421.449 3.414 0 40 HGAB COc1ccccc1CNC(=O)CN1C(=O)N[C@@](C)(c2ccc(C(C)(C)C)cc2)C1=O 3449629 PXIQUQUOMQVHTO-DEOSSOPVSA-N 423.513 3.076 0 40 HGAB CCn1c(SCC(=O)Nc2nnc(C3CC3)s2)nnc1-c1ccc(OC)cc1 4814775 JRBJSAZFCWHXID-UHFFFAOYSA-N 416.532 3.433 0 40 HGAB O=C(N[C@@H]1CCCc2ccccc21)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 5131615 VPROHFIAOWLILF-HXUWFJFHSA-N 423.538 3.041 0 40 HGAB CC(C)(C)c1ccc(-n2c(=O)[nH]c3c(C(N)=O)nc(CCc4ccccc4)nc32)cc1 5143472 SSWAAVWVVORRMN-UHFFFAOYSA-N 415.497 3.290 0 40 HGAB Cn1nnnc1SCCNCc1cc(Cl)ccc1OCc1ccccc1F 5205743 MMVGFSQEJIRVCU-UHFFFAOYSA-N 407.902 3.464 0 40 HGAB Cc1cccc2sc(N(CCN(C)C)C(=O)c3cccc(S(C)(=O)=O)c3)nc12 5242616 CAICPSGERAUPNK-UHFFFAOYSA-N 417.556 3.217 0 40 HGAB C[C@H](CNC(=O)CSc1nc2sc3c(c2c(=O)n1C)CCC3)c1ccccc1 5570732 FCPYMZVPYYYECO-CYBMUJFWSA-N 413.568 3.496 0 40 HGAB Cc1ccccc1-c1nnc(S[C@@H](C)C(=O)NC(=O)NC2CCCCC2)n1C 5860047 OSYXTJUKVNEONE-AWEZNQCLSA-N 401.536 3.430 0 40 HGAB O=S(=O)(Nc1nc2ccccc2n1S(=O)(=O)c1ccccc1)c1ccccc1 5889590 FSOPEDWBLVBRSG-UHFFFAOYSA-N 413.480 3.074 0 40 HGAB O=C(CSc1nc2ccccc2o1)N(C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 6061078 WKSZFVUUWYCSKF-OAHLLOKOSA-N 408.545 3.268 0 40 HGAB COc1cc(NC(=S)NC(=O)c2ccc3c(c2)OCO3)ccc1NC(=O)C(C)C 6590523 JBHATWLHLRYNRP-UHFFFAOYSA-N 415.471 3.145 0 40 HGAB CCN(C)S(=O)(=O)c1csc(C(=O)Nc2cccc(Br)c2)c1 6680349 NVMFCSHDCGNNTD-UHFFFAOYSA-N 403.323 3.403 0 40 HGAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cc(Cl)ccc2OC)cc1 7247720 ZPUSIWSGSYIROS-UHFFFAOYSA-N 412.895 3.007 0 40 HGAB Cc1cc(OC(=O)[C@H]2CC(=O)N([C@H](C)c3ccccc3)C2)ccc1N1C(=O)CCC1=O 7928554 IBZVIWGEAJGAEQ-AEFFLSMTSA-N 420.465 3.164 0 40 HGAB CCCCCn1c(=O)c2c(nc3n2C[C@H](C)CN3c2ccc(CC)cc2)n(C)c1=O 8625544 MHROYIAFZPOVCW-MRXNPFEDSA-N 409.534 3.437 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)COc1cccc(C)c1 8986986 SLVUDHBWBBURJB-UHFFFAOYSA-N 418.515 3.196 0 40 HGAB COc1cccc(N2CCN(Cc3nc(N)nc(Nc4ccc(C)cc4C)n3)CC2)c1 9010105 JPFWHCSSNCWUOB-UHFFFAOYSA-N 419.533 3.145 0 40 HGAB CCOc1ccc(C(=O)Nc2nnc(SCC(=O)Nc3nccs3)s2)cc1 9366111 OGDOZDGXHXEBCV-UHFFFAOYSA-N 421.529 3.376 0 40 HGAB C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccco1)c1ccc2c(c1)OCCO2 9883745 VHMLSWSHYWGRJQ-LPHOPBHVSA-N 420.465 3.269 0 40 HGAB COc1ccc(CNC(=O)[C@H](C)N(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1 10335422 GJQCWWCVWVOUIN-AWEZNQCLSA-N 410.923 3.128 0 40 HGAB CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)c2ccc3ccccc3c2O)cc1 10748695 PDFHYANYEWPHKO-UHFFFAOYSA-N 412.511 3.303 0 40 HGAB Cc1ccc(Br)cc1S(=O)(=O)NCc1ccccc1Cn1cccn1 10959315 LZNUUUBGJNTQFM-UHFFFAOYSA-N 420.332 3.481 0 40 HGAB COc1cccc(C(=O)N2CCN(c3ccc(-c4ccc(F)cc4)nn3)CC2)c1OC 11695249 ANOCLTVADUYSJJ-UHFFFAOYSA-N 422.460 3.262 0 40 HGAB O=C(Cn1cc(OCc2ccc(F)cc2)c(=O)cc1CO)Nc1ccc(Cl)cc1 12231072 XCFRUWWZEGJEJK-UHFFFAOYSA-N 416.836 3.351 0 40 HGAB Cc1nc(CC(=O)N2CCC[C@H](c3nc4ccc(F)cc4cc3C(N)=O)C2)cs1 12255897 UFRPKRMCEINFLR-ZDUSSCGKSA-N 412.490 3.186 0 40 HGAB Cc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCc4sccc4C3)c2)nc1 12552104 FKPADAANVKERDW-UHFFFAOYSA-N 413.524 3.451 0 40 HGAB CCCN(CCC)S(=O)(=O)c1ccc(-n2ncc(Cl)c(Cl)c2=O)cc1 12775218 QBJBGCXPFSNWAS-UHFFFAOYSA-N 404.319 3.350 0 40 HGAB Cc1c(C(=O)NCc2ccc(C(=O)O)cc2)sc2nc3n(c(=O)c12)CCCCC3 12858866 VHGFTDPJTUPIRU-UHFFFAOYSA-N 411.483 3.121 0 40 HGAB CCCCCNC(=O)c1ccc(OC)c(S(=O)(=O)NCCc2ccccc2)c1 13581927 CAIYFGKVYIZJES-UHFFFAOYSA-N 404.532 3.136 0 40 HGAB CCN1CCN(c2ccc(NC(=O)CC[C@@H]3Cc4ccccc4NC3=O)cc2)CC1 14347787 FYEQHDBUBJAHOZ-LJQANCHMSA-N 406.530 3.358 0 40 HGAB O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)Nc1ccc2c(c1)Cc1ccccc1-2 14934212 KZAADUWFBDNBQI-UHFFFAOYSA-N 423.472 3.268 0 40 HGAB CCOC(=O)C1=C(COC(=O)c2ccccc2)N(C)C(=O)N[C@@H]1c1ccc(OC)cc1 15106322 VAGIAQUIQFYWAE-HXUWFJFHSA-N 424.453 3.066 0 40 HGAB COc1ccc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)N[C@H](C)CCCC(C)C)[C@H]4C2=O)cc1 15894233 OLAUHODKTOCQBC-NTLUWEIDSA-N 412.530 3.313 0 40 HGAB biogenic Cc1ccc([C@@H](NC(=O)c2ccnc(N3CCOCC3)c2)c2ccncc2)cc1C 19213623 NFFRAOJDSUFVIU-QHCPKHFHSA-N 402.498 3.449 0 40 HGAB O=C(C1CCC1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CN(Cc1cccs1)CC2 19343561 JILCOQIQHRYDQX-LJQANCHMSA-N 412.559 3.243 0 40 HGAB COc1cc2c(cc1CN1CCC(c3cc(O)nc(-c4ccncc4)n3)CC1)OCO2 19550555 UOFIWYIOQXVFRL-UHFFFAOYSA-N 420.469 3.361 0 40 HGAB CN(C)C(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCCN(C(=O)[C@@H]2CCCO2)C1 19578958 XVWCBXZUACRGBT-DHLKQENFSA-N 421.541 3.167 0 40 HGAB COc1ccccc1C(=O)N1CCN(C(=O)c2n[nH]c3c2C[C@@H](C(C)(C)C)CC3)CC1 19655081 NWNOEHPHQHXEHI-INIZCTEOSA-N 424.545 3.168 0 40 HGAB CC(C)(C)N1C[C@@H](C(=O)Nc2nnc(CCOc3ccccc3Cl)s2)CC1=O 19659773 VZIWJJKNOUUVOL-LBPRGKRZSA-N 422.938 3.399 0 40 HGAB O=C1c2oc3ccccc3c(=O)c2[C@H](c2cccc(F)c2)N1CCCN1CCOCC1 20219626 FBEAABJSHYLLSB-NRFANRHFSA-N 422.456 3.200 0 40 HGAB CN(C)S(=O)(=O)N(CC(=O)Nc1cccc2ccccc12)c1ccc(F)cc1 20245064 XRYHFNJWGCKERX-UHFFFAOYSA-N 401.463 3.230 0 40 HGAB COCc1cccc(C(=O)Nc2cccc(S(=O)(=O)NCc3ccco3)c2)c1 20897622 LBALRNFFFRSVIC-UHFFFAOYSA-N 400.456 3.157 0 40 HGAB Cc1ccccc1-n1c(S[C@@H](C)C(=O)NC[C@H]2CCCO2)nnc1-c1ccncc1 21353082 RZTDLJNDYZMPMT-FUHWJXTLSA-N 423.542 3.414 0 40 HGAB COCc1nc(N2CCN(Cc3ccccc3)CC2)[nH]c(=O)c1CCc1ccccc1 22448755 SKNSAOMFSJETFF-UHFFFAOYSA-N 418.541 3.024 0 40 HGAB COc1cccc(C(=O)Nc2c3c(nn2CC(=O)NCc2ccccc2)CSC3)c1 23139488 TWDQJQDOOCFTDM-UHFFFAOYSA-N 422.510 3.207 0 40 HGAB O=C(CCCn1cnc2ccccc2c1=O)Nc1nnc(Cc2ccccc2)s1 24691134 WDAUOXPMHXFDSG-UHFFFAOYSA-N 405.483 3.258 0 40 HGAB Cc1ccc(NC(=O)CN(C)CC(=O)Nc2cc(C)nn2-c2ccccc2C)cc1 24762366 NGGMSURSYUBGNV-UHFFFAOYSA-N 405.502 3.307 0 40 HGAB CCCCC[C@@H](C)NC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1CC 29432384 UZBIALWZJNFCPU-MRXNPFEDSA-N 422.595 3.324 0 40 HGAB C[C@@]12CCC(=O)N1c1ccccc1C(=O)N2CCC(=O)N1CCCc2ccccc21 29736115 ORFDSEBKQPSHSD-DEOSSOPVSA-N 403.482 3.355 0 40 HGAB CCOc1ccccc1CNC(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O 30866326 XTUZOWBBIHXCQJ-UHFFFAOYSA-N 410.923 3.130 0 40 HGAB C[C@@H](CCc1ccccc1)NC(=O)c1nc(COc2ccc3c(c2)NC(=O)CC3)no1 32095879 JSPIIDNEEWMDOO-HNNXBMFYSA-N 420.469 3.284 0 40 HGAB CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(Sc3nccn3C)cc2)cc1 32933218 VKXWXPSLPVVBMY-UHFFFAOYSA-N 416.528 3.122 0 40 HGAB Cc1ccccc1OCCC(=O)N1CCN(CC(=O)Nc2c(C)cccc2C)CC1 34798138 JUPUARCHMCUBDS-UHFFFAOYSA-N 409.530 3.164 0 40 HGAB COc1ccc(Br)cc1CN(C)CN1C(=O)N[C@@]2(CCCC[C@H]2C)C1=O 34896163 WHYBCYNUGPACJO-BFUOFWGJSA-N 424.339 3.348 0 40 HGAB CCOc1ccc2nc(NC(=O)CC[C@H]3NC(=O)c4ccccc4NC3=O)sc2c1 35598198 FOEJEMVOWHWAMY-MRXNPFEDSA-N 424.482 3.164 0 40 HGAB Cc1cc(S(=O)(=O)Nc2ccccc2I)sc1C(=O)O 37225797 ONYJMJLUPWYELZ-UHFFFAOYSA-N 423.253 3.160 0 40 HGAB O=C(NCc1ccc(C(=O)N2CCCCCC2)cc1)c1cc(=O)[nH]c2ccccc12 41380967 HJEJHCLAIGWNTP-UHFFFAOYSA-N 403.482 3.474 0 40 HGAB CC[C@]1(c2ccc(NC(=O)c3ccc(F)c(NC(C)=O)c3)cc2)CCC(=O)NC1=O 54199339 KKIPGSJVOIGNEM-JOCHJYFZSA-N 411.433 3.121 0 40 HGAB COc1ccccc1NC(=O)Cn1cnc2c(cnn2-c2cc(Cl)ccc2C)c1=O 57486461 PDFWAOXGKBYWPQ-UHFFFAOYSA-N 423.860 3.191 0 40 HGAB Cc1ccc(-n2c(=O)c3sccc3n(CC(=O)N(C)c3ccccc3)c2=O)cc1C 57491156 HJTJYDWSKNJNOI-UHFFFAOYSA-N 419.506 3.494 0 40 HGAB CCN(CC)C(=O)c1ccc(NS(=O)(=O)c2cnn(Cc3ccccc3)c2)cc1 58135259 FQIIYXVQKYLEEB-UHFFFAOYSA-N 412.515 3.214 0 40 HGAB C[C@H](NC(=O)c1ccc(Br)s1)C(=O)Nc1cnc(C(C)(C)C)nc1 58406708 NWWHBGFZDGSDNV-VIFPVBQESA-N 411.325 3.355 0 40 HGAB CC[C@H](C)n1c(SCC(=O)NCc2cccc(OC)c2)nc2cc(C)[nH]c2c1=O 67239066 KCKKOBXPXYMKHQ-AWEZNQCLSA-N 414.531 3.421 0 40 HGAB CS(=O)(=O)c1ccc(CN2CCOC[C@H]2c2nc(-c3ccc(F)cc3)c[nH]2)cc1 67898772 KDGMFESDFYXFFP-FQEVSTJZSA-N 415.490 3.193 0 40 HGAB biogenic,in-vitro O=C(NC1CC1)[C@H]1CCCN(C(=O)[C@H]2CC(c3ccc(Cl)cc3Cl)=NO2)C1 71847832 VRBAYTWDBNRWEL-APPDUMDISA-N 410.301 3.004 0 40 HGAB CON(C)S(=O)(=O)c1cc(NC(=O)[C@@H](C)Oc2ccc(C)cc2)ccc1Cl 72305119 WLPYYDYSZAQSQQ-CYBMUJFWSA-N 412.895 3.236 0 40 HGAB O=C(CCN1C(=O)c2ccccc2S1(=O)=O)Nc1nc(-c2cccs2)cs1 72403213 XPZWBSFKZTUEAG-UHFFFAOYSA-N 419.509 3.045 0 40 HGAB O=C(Nc1ccccc1)c1ccc(NC[C@H]2CC(=O)N(CCc3ccccc3)C2)nn1 79061687 CVTRABSRRXXUFJ-LJQANCHMSA-N 415.497 3.232 0 40 HGAB CC(C)=C1[C@H]2CC[C@H]1[C@H]1C(=O)N(NC(=O)COc3ccc(Cl)c(C)c3)C(=O)[C@@H]21 101708641 YDCNKOPFLPYAPU-OHHBCXFOSA-N 402.878 3.036 0 40 HGAB CS(=O)(=O)N(CC(=O)NCCCc1ccc(Cl)cc1)c1ccc(F)cc1F 220091259 VGQGVHQWHUESTM-UHFFFAOYSA-N 416.877 3.133 0 40 HGAB C[C@H](C(=O)NCCSC1CCCCC1)N(c1ccccc1F)S(C)(=O)=O 220302918 BPQVPIBUMCAFBD-CQSZACIVSA-N 402.557 3.162 0 40 HGAB C[C@H](C(=O)NCCCc1ccc(F)cc1)N(c1ccc(F)c(F)c1)S(C)(=O)=O 220457205 QADAQLQKIKZJFW-CYBMUJFWSA-N 414.449 3.007 0 40 HGAB CCCSc1nnc(NC(=O)[C@@H](C)N(c2cccc(C)c2)S(C)(=O)=O)s1 223165265 JGSZFBDGIGJPSA-GFCCVEGCSA-N 414.578 3.142 0 40 HGAB Cc1cc(C)c([C@@H](C)NC(=O)CN(Cc2ccccc2F)S(C)(=O)=O)cc1C 223499517 TUUOOFHZLMQCIC-QGZVFWFLSA-N 406.523 3.390 0 40 HGAB CC(C)(C)CC(C)(C)NC(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1 224477703 RICULZRJLAPEEL-HNNXBMFYSA-N 402.944 3.198 0 40 HGAB O=C(Cc1cccc(Br)c1)NCc1ccc(CN2CCOCC2)cc1 224589636 VEPNRQBWKQVQLU-UHFFFAOYSA-N 403.320 3.140 0 40 HGAB CCc1ccc(OCCNC(=O)CCCN(c2ccccc2F)S(C)(=O)=O)cc1 224753444 CWEWKHGKHKAWGX-UHFFFAOYSA-N 422.522 3.130 0 40 HGAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2ccc(Cn3nc(C)cc3C)cc2)c1 225287977 MJEYAFJQTNOSKK-UHFFFAOYSA-N 421.453 3.374 0 40 HGAB CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCCc1ccc(C)cc1 225572876 FZQVHVZOMFJTHC-OAQYLSRUSA-N 418.559 3.297 0 40 HGAB Cc1ccc(CNC(=S)Nc2nc(N3CCOCC3)cc(C(F)(F)F)n2)cc1 225946219 IOGSYIAIPJBCRU-UHFFFAOYSA-N 411.453 3.127 0 40 HGAB C[C@H]1CCCCN1c1cc(N2CCOCC2)nc(NC(=S)NC2CCCCC2)n1 226008095 ITGLNBMXSCTSLA-INIZCTEOSA-N 418.611 3.311 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N(C)c3ccc(C)c(C)c3)C2)cc1 226084241 GQNKPHPVNIVZAL-GOSISDBHSA-N 416.543 3.376 0 40 HGAB Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3ccccc3)[C@]2(CN)NC(=O)OC(C)(C)C)cc1 242473239 FDKSSCHDQAEKOZ-JQVVWYNYSA-N 416.543 3.157 0 40 HGAB COc1ccc(F)cc1S(=O)(=O)N1CC[C@@H](Oc2ccc3ccccc3n2)C1 253394508 CNIVINMHFYMCQZ-MRXNPFEDSA-N 402.447 3.225 0 40 HGAB COc1ccc(NC(=O)c2nnc3n2C[C@@H]2CN(Cc4cccc(C)c4)C[C@@H]2C3)cc1 306128028 GOFMJAADXKARMN-OALUTQOASA-N 417.513 3.152 0 40 HGAB COc1ncccc1CN1C[C@H]2[C@@H](C1)n1cccc1C(=O)N2Cc1ccc(F)cc1 306133409 MKKOHVIZIFSATR-RTWAWAEBSA-N 406.461 3.112 0 40 HGAB Cn1nccc1[C@@H]1CN(C(=O)C2CC=CC2)C[C@]12CCCN(Cc1ccccc1)C2=O 306140272 UOPJNZWAFMYOMR-SQJMNOBHSA-N 418.541 3.121 0 40 HGAB Cn1cc(-c2cnc3c(N4CCN(Cc5cccc(Cl)c5)CC4)nccn23)cn1 306143028 XRFWLDZEGRTBPF-UHFFFAOYSA-N 407.909 3.105 0 40 HGAB CCCCOC(=O)c1ccc(NC(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)cc1 408601638 AZIAHQPEOQUIFQ-UHFFFAOYSA-N 422.478 3.187 0 40 HGAB COc1cccc(N2C[C@@H](C(=O)Nc3ccc(C(=O)OCC(C)C)cc3)CC2=O)c1 408639996 HCJOCJXAMMPHAZ-KRWDZBQOSA-N 410.470 3.500 0 40 HGAB O=C(Cc1cc2ccccc2nc1O)N[C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 535757700 DBFIVRIXLRWOLF-AWEZNQCLSA-N 413.836 3.197 0 40 HGAB Cc1cc(C)cc(S(=O)(=O)N2CC3(C[C@@H](OCc4cccc(C)n4)CCO3)C2)c1 575406504 YBDBNNFDAKTKQG-FQEVSTJZSA-N 416.543 3.146 0 40 HGAB O=C(C[C@@H]1CCc2ccccc21)N1CCC(NS(=O)(=O)c2cccs2)CC1 604275714 ZDABKFLQBSCTQK-INIZCTEOSA-N 404.557 3.138 0 40 HGAB Cc1nnnn1-c1cccc(NC(=O)c2cc3c(C(F)(F)F)cc(O)nc3o2)c1 642325629 SZRUGTOBPYLXQR-UHFFFAOYSA-N 404.308 3.089 0 40 HGAB COc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccc(OC)c(OC)c1 814793 BDJSVQDSZSJSTJ-HXUWFJFHSA-N 421.457 3.232 0 40 HGAB O=C(/C=C1\SC(=O)N(CC(=O)Nc2ccccc2)C1=O)Nc1ccc(Cl)cc1 1248031 LUZMHOXFOJNQKZ-GDNBJRDFSA-N 415.858 3.497 0 40 HGAB Cc1c(CS(=O)(=O)c2ccccc2)[nH]c(=O)n1-c1ccc(OC(F)(F)F)cc1 1396045 YSCZCNXKYOIMTJ-UHFFFAOYSA-N 412.389 3.347 0 40 HGAB CC(C)(C)c1ccc([C@@]2(C)NC(=O)N(CC(=O)NCCc3ccccc3)C2=O)cc1 2634190 CUXMZKHHNGLVAX-XMMPIXPASA-N 407.514 3.110 0 40 HGAB O=C(CN1C(=O)N[C@@H](Cc2ccccc2)C1=O)NC(c1ccccc1)c1ccccc1 3346270 AGSMRNMFKCJGBU-NRFANRHFSA-N 413.477 3.055 0 40 HGAB Cc1csc(SCC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)n1 3413883 JZKQCUILAFPGDS-UHFFFAOYSA-N 411.574 3.357 0 40 HGAB C[C@H](NC(=O)CN(C)CC(=O)Nc1ccccc1Br)c1ccccc1 3449328 JCZGDJRWJWVOEW-AWEZNQCLSA-N 404.308 3.197 0 40 HGAB COc1ccc(C)cc1-n1nnnc1SCC(=O)NCc1ccc(Cl)cc1 3491663 XWYRDMOLCYLURQ-UHFFFAOYSA-N 403.895 3.041 0 40 HGAB Cc1cc(C)c(C(=O)COC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cc1C 3587667 OOQUAGDDHGBQBY-UHFFFAOYSA-N 415.511 3.436 0 40 HGAB Cc1ccc(C(=O)C2=NO[C@@H]3C(=O)N(c4cc(Cl)ccc4Cl)C(=O)[C@@H]23)cc1 3849223 KVWVIBCSXXTJSX-YOEHRIQHSA-N 403.221 3.429 0 40 HGAB biogenic O=C(Nc1nnc(-c2ccco2)o1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 4264597 PJOZXSZHJNCPHH-UHFFFAOYSA-N 416.459 3.147 0 40 HGAB COc1cccc([C@@H]2CCN(CC(=O)Nc3cc(Cl)ccc3OC)C[C@@H]2O)c1 4984631 DPVJLVOAQRPECM-HKUYNNGSSA-N 404.894 3.146 0 40 HGAB CCOC(=O)c1sc2ncn([C@@H](C)C(=O)Nc3ccccc3OC)c(=O)c2c1C 5010088 KPFOGZPKGQRWEB-LBPRGKRZSA-N 415.471 3.151 0 40 HGAB Cc1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)c1C 5558534 KZOAMUBTCWCEPS-UHFFFAOYSA-N 408.907 3.230 0 40 HGAB C[C@H](Sc1nc(-c2cccs2)n[nH]1)C(=O)Nc1ccc(N2CCOCC2)cc1 6035446 HUEHXYBNPOTYKM-ZDUSSCGKSA-N 415.544 3.489 0 40 HGAB C=CCc1cc(/C=C2/SC(=O)N(CC(=O)OCC)C2=O)cc(OCC)c1OC 6959120 FENCACIIVLGLHW-LFIBNONCSA-N 405.472 3.422 0 40 HGAB COc1cccc(-c2nc(CC(=O)OCC(=O)N3CCc4ccccc43)cs2)c1 6974957 ACCHHZSXYANDEN-UHFFFAOYSA-N 408.479 3.494 0 40 HGAB COc1ccc(C(=O)CN(C(=O)c2ccc(Cl)cc2)N2C(=O)CCCC2=O)cc1 7881765 UMTLPQBHNVHCCL-UHFFFAOYSA-N 414.845 3.128 0 40 HGAB C[C@@H](NC(=O)CNC(=O)Cc1cccc2ccccc12)c1ccc2c(c1)OCCO2 7989516 QSRQPVJZFCZOLL-MRXNPFEDSA-N 404.466 3.147 0 40 HGAB C[C@@H](NC(=O)COC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1)c1ccccc1 8036448 BEVCNPJWOCGFFB-ZBFHGGJFSA-N 400.862 3.114 0 40 HGAB Cc1c(CC(=O)N2CCN(c3cccc(Cl)c3)CC2)c(=O)oc2cc(O)ccc12 8993282 VLKCMHFRMLTVFC-UHFFFAOYSA-N 412.873 3.352 0 40 HGAB COc1ccc(CCc2nnc(NC(=O)[C@H]3CC(=O)N(c4ccccc4)C3)s2)cc1 9095541 FXCUAHJMMGUABT-INIZCTEOSA-N 422.510 3.324 0 40 HGAB Cc1cc(=O)n2c(n1)NC(N1CCC(N3CCCCC3)CC1)=N[C@@H]2[C@H]1CC=CCC1 9289500 GSIKTTRSOHBPIU-RXVVDRJESA-N 410.566 3.138 0 40 HGAB COc1cccc([C@H]2c3c(-c4ccc(Cl)cc4)nnc(O)c3Nc3nnnn32)c1 10232684 HGQIVAUSYGHUOQ-KRWDZBQOSA-N 407.821 3.192 0 40 HGAB CCS(=O)(=O)N1CCC[C@H](C(=O)N(Cc2ccccc2)Cc2ccccc2)C1 10302460 FSRWBXYJEBGCEH-NRFANRHFSA-N 400.544 3.277 0 40 HGAB Cc1nc(C(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)nn1-c1ccc(Cl)cc1 10969383 MNBOFYAHKKBYDJ-GFCCVEGCSA-N 418.906 3.124 0 40 HGAB CCc1cc(C(=O)NC2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)sc1C 11192363 RWXJKICUESGWMZ-UHFFFAOYSA-N 422.572 3.211 0 40 HGAB O=C(OCc1csc(-c2ccccn2)n1)c1cccc(S(=O)(=O)NC2CC2)c1 11254180 FXJJGDBPJBDGAU-UHFFFAOYSA-N 415.496 3.003 0 40 HGAB CCOCCn1/c(=N\C(=O)Cc2ccc3c(c2)OCO3)sc2cc(F)cc(F)c21 11613066 GCICACHHORNMFZ-BSYVCWPDSA-N 420.437 3.416 0 40 HGAB Cn1/c(=N\C(=O)CN2C(=O)c3ccccc3C2=O)sc2c3ccccc3ccc21 11852850 ZEUNSWVBVXMPLC-GHVJWSGMSA-N 401.447 3.117 0 40 HGAB C[C@@H]1CCCN(c2ccc(NC(=O)Cn3nc(-c4cccs4)cc(N)c3=O)cc2)C1 12118015 NXUSNPHYXZUVLQ-OAHLLOKOSA-N 423.542 3.429 0 40 HGAB COc1ccc(C(=O)Nc2ccccn2)cc1S(=O)(=O)N1CCCc2ccccc21 12545304 BEYMQZQONPKZNU-UHFFFAOYSA-N 423.494 3.484 0 40 HGAB CCCN(CC(=O)NCCc1ccc(F)cc1)S(=O)(=O)c1cccc(Cl)c1 12731212 PHZPICRJWRXOJZ-UHFFFAOYSA-N 412.914 3.239 0 40 HGAB Cc1cccc(C(=O)NCCC(=O)NCC(=O)Nc2cc(Cl)ccc2Cl)c1 12767855 ONJUNRLMTFIZEM-UHFFFAOYSA-N 408.285 3.177 0 40 HGAB COc1ccc(C(C)=O)cc1CN1CCCN(S(=O)(=O)c2ccc(C)cc2)CC1 12901874 XUVKDCJDUBVXTJ-UHFFFAOYSA-N 416.543 3.103 0 40 HGAB O=C(CN1CCN(C(=O)NCc2ccccc2)CC1)Nc1ccccc1C(F)(F)F 12994555 YCNRMGFOGIZXHL-UHFFFAOYSA-N 420.435 3.171 0 40 HGAB CC[C@]1(c2ccccc2)NC(=O)N(CN2CCN(c3cccc(Cl)c3)CC2)C1=O 13098127 SQTAHUYXQDMTCY-JOCHJYFZSA-N 412.921 3.277 0 40 HGAB Cc1cc(C)n2ncc(C(=O)N3CCC[C@H]([C@@H]4CC(=O)c5ccccc5O4)C3)c2n1 13225427 QQFXRFGMSYRHLM-KKSFZXQISA-N 404.470 3.232 0 40 HGAB COc1ccc(C(=O)NC2CCCCC2)cc1S(=O)(=O)NCCc1ccccc1 13581737 MWLLQACRUDQDSA-UHFFFAOYSA-N 416.543 3.279 0 40 HGAB C[C@H](Nc1cccc(F)c1)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 14118312 JGLNOASJYHLKBN-HNNXBMFYSA-N 405.495 3.439 0 40 HGAB Cc1cc(Cl)c2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@@H]2CCCN21 16012860 UGLPDDLJAMAXJN-DDOIHHOZSA-N 421.884 3.080 0 40 HGAB CCOC(=O)c1c(NC(=S)NC(=O)c2cccc(F)c2)sc(C(=O)OC)c1C 17093891 KGQKQFMKCVSEOH-UHFFFAOYSA-N 424.475 3.286 0 40 HGAB COc1cccc(CC(=O)N[C@H](Cc2cc(O)n3nc(C)cc3n2)c2ccccc2)c1 19129976 IMGMEDRWKJXHLG-OAQYLSRUSA-N 416.481 3.395 0 40 HGAB O=C1CCCN1c1ccc([C@@H](O)CN2CCC3(CC2)C[C@H](O)c2ccccc2O3)cc1 19374911 USBVQOHNEULINU-VXKWHMMOSA-N 422.525 3.198 0 40 HGAB CCNC(=O)[C@@]1(Cc2cccc(-c3cccs3)c2)CCN(C(=O)c2cc[nH]n2)C1 19528992 NSPIFLVGXUKHLK-JOCHJYFZSA-N 408.527 3.349 0 40 HGAB Cc1ccccc1CN1CCN(C(=O)c2nc(C)n(-c3ccc(Cl)cc3)n2)CC1 21925612 YNEAXRSZUILJQT-UHFFFAOYSA-N 409.921 3.496 0 40 HGAB Cc1ccc(C)c(OCCC(=O)OCC(=O)N[C@@H](c2ccccc2)c2nccn2C)c1 22201844 LTMSDULTACNEQX-QHCPKHFHSA-N 421.497 3.255 0 40 HGAB Cc1cccc(C)c1NC(=O)CN1CCN([C@@H](C)C(=O)N[C@@H](C)c2ccccc2)CC1 22928908 PANHQWMOSYVCBO-SFTDATJTSA-N 422.573 3.125 0 40 HGAB COc1cccc(NC(=O)C2CCN(S(=O)(=O)Cc3cccc(C)c3)CC2)c1 24612182 RUAFABYNBRSWCI-UHFFFAOYSA-N 402.516 3.184 0 40 HGAB CS(=O)(=O)N1CCCC[C@@H]1C(=O)Nc1cccc(C2SCCCS2)c1 26069097 BUBGCFVNMWENBI-OAHLLOKOSA-N 400.591 3.308 0 40 HGAB COc1ccc(C(=O)NCc2ccc(C)cc2)cc1S(=O)(=O)N1CCCCCC1 26797163 DYOVIJWSWSUPLI-UHFFFAOYSA-N 416.543 3.498 0 40 HGAB COC(=O)c1ccc(Cl)c(NC(=O)c2ccc(NS(C)(=O)=O)cc2Cl)c1 30864889 ZLGHUPOOGCZALQ-UHFFFAOYSA-N 417.270 3.404 0 40 HGAB CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2nc(C(F)(F)F)cs2)c1 32832687 IRFAPAYOCZEVPW-UHFFFAOYSA-N 413.830 3.318 0 40 HGAB O=S(=O)(NCCCc1nc2cc3ccccc3cc2[nH]1)c1ccc2c(c1)OCCO2 35311608 LGLCHUWJLRZBAF-UHFFFAOYSA-N 423.494 3.398 0 40 HGAB Cc1ccc(C2=NC3(CCN(CC(=O)Nc4ccc(C(C)C)cc4)CC3)NC2=O)cc1 35430700 ZOXUGZPTKURQFR-UHFFFAOYSA-N 418.541 3.468 0 40 HGAB biogenic COC(=O)c1ccc(N2CCOCC2)c(NC(=O)c2ccc(Br)cc2)c1 36365653 NFRSZKDEIOGYRE-UHFFFAOYSA-N 419.275 3.325 0 40 HGAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)NCC1(N2CCOCC2)CCCCC1 39996847 XJVQGHZDISHWOH-JOCHJYFZSA-N 411.546 3.102 0 40 HGAB NC(=O)CCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1C[C@@H]1CCCO1 40039746 LSMHFIPPXIIRHN-LBPRGKRZSA-N 415.346 3.474 0 40 HGAB C[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CCS(=O)(=O)C3)c2C(=O)c2ccccc2)C1 40072359 RTNSHIYPAHXRNM-UKRRQHHQSA-N 417.552 3.477 0 40 HGAB C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)Nc1cccc(-c3ccn[nH]3)c1)C2=O 40087257 VIOJDFBVTKKDFP-PEBXRYMYSA-N 409.490 3.152 0 40 HGAB COc1ccc(Cn2ccc3nc4ncnn4c(-c4ccccc4OC)c3c2=O)cc1 40398189 AKZYLENIIQXNKY-UHFFFAOYSA-N 413.437 3.172 0 40 HGAB O=C(Nc1ccnn1Cc1cccs1)[C@@H]1CC(=O)N(c2ccc(F)cc2F)C1 48355394 XGSXVAOEAALTQS-GFCCVEGCSA-N 402.426 3.263 0 40 HGAB C[C@H]1CCc2c(sc(NC(=O)[C@@H]3CCS(=O)(=O)C3)c2C(=O)c2ccco2)C1 48361751 KJDYHODTCAGZJY-NWDGAFQWSA-N 407.513 3.070 0 40 HGAB C[C@H]1CCc2c(sc(NC(=O)[C@H]3CCS(=O)(=O)C3)c2C(=O)c2ccco2)C1 48361757 KJDYHODTCAGZJY-RYUDHWBXSA-N 407.513 3.070 0 40 HGAB CCN1CCc2ncnc(SCC(=O)Nc3ccc(Br)cc3)c2C1 49401006 RCQFQFXPIZERHA-UHFFFAOYSA-N 407.337 3.348 0 40 HGAB C[C@H](C1CC1)N(Cc1ccccc1)C(=O)CS(=O)(=O)[C@H](C)c1nc(C2CC2)no1 58148329 SJJORITZCJIMJR-HUUCEWRRSA-N 417.531 3.250 0 40 HGAB CCc1c(C(=O)N(C)CC(=O)Nc2cc(C)on2)cnn1-c1cccc(Cl)c1 58692878 KGLBRALMQSNZNE-UHFFFAOYSA-N 401.854 3.095 0 40 HGAB CN(CC(=O)N[C@@H](CC(C)(C)C)c1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 78940032 QTNBNVULLQIBRH-SJORKVTESA-N 400.972 3.052 0 40 HGAB O=C(CCc1nc2ncc(Br)cc2[nH]1)NC[C@@H]1CCCN2CCCC[C@@H]12 79191726 HDCXFIQASNQSDD-BBRMVZONSA-N 420.355 3.034 0 40 HGAB biogenic COc1cccc(C(=O)N2CCN([C@H]3CCCN(Cc4ccccc4)C3)CC2)c1OC 95457069 NJGANIVXBYATLN-NRFANRHFSA-N 423.557 3.126 0 40 HGAB O=C(NCC(=O)N1CCCCC[C@@H]1c1noc(-c2ccccc2)n1)c1cccnc1 96001314 OERSGVRCUAQREA-GOSISDBHSA-N 405.458 3.005 0 40 HGAB O=C(NCc1ccccn1)C1CCN(c2cc(-n3ccc4ccccc43)ncn2)CC1 96124032 IHQKIOOQTXLTRY-UHFFFAOYSA-N 412.497 3.348 0 40 HGAB Cc1cc(=O)oc2cc(OCC(=O)NCCCc3nc4ccccc4n3C)ccc12 96221803 UCNMWYBKZQNGNL-UHFFFAOYSA-N 405.454 3.116 0 40 HGAB biogenic CCS(=O)(=O)N1CCc2nc(NC(=O)c3ccc(Cl)cc3Cl)sc2C1 96334603 VDSBLWVXOFMYDR-UHFFFAOYSA-N 420.343 3.410 0 40 HGAB Cc1nn2c(=O)cc(C(=O)Nc3cccc(-n4cccn4)c3)[nH]c2c1-c1ccccc1 100780091 XUJZJZZQEDLISM-UHFFFAOYSA-N 410.437 3.436 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3ccccc3n2C)cc1 100811277 CQCBGEUCORGKNL-VXPUYCOJSA-N 403.529 3.011 0 40 HGAB CCn1/c(=N/C(=O)[C@H]2COc3ccccc3O2)sc2c(OC)ccc(OC)c21 100909130 MNDXWDJYORMLEI-MODMUFLJSA-N 400.456 3.007 0 40 HGAB C[C@@H](NC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)[C@@H]1C[C@H]2CC[C@H]1C2 107133688 ZKPMRPACCARHHJ-SAJDGTNDSA-N 404.576 3.345 0 40 HGAB CCOC(=O)[C@@]1(CN)[C@@H](S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1ccc(Cl)cc1 218533753 SRMQAWYJNWDINO-CMKODMSKSA-N 407.919 3.096 0 40 HGAB Cc1cccc(-c2noc(CN(C)C(=O)c3cccc(CN4CCOCC4)c3)n2)c1 219248762 XKUZITZIZIKYCF-UHFFFAOYSA-N 406.486 3.149 0 40 HGAB CC[C@H](C(=O)NCCc1ccccc1)N(c1ccc(F)c(Cl)c1)S(C)(=O)=O 222497917 KUFOMGHJULPSFH-GOSISDBHSA-N 412.914 3.383 0 40 HGAB O=C(O)c1ccccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)o1 223631304 PBBIVIUYEODRBC-UXHICEINSA-N 423.494 3.395 0 40 HGAB COC(=O)c1cc(NS(=O)(=O)c2ccc3c(c2)CCCN3C(C)=O)ccc1Cl 223847019 HILBPLXPRWRXHW-UHFFFAOYSA-N 422.890 3.227 0 40 HGAB Cc1ccc(C)c(N([C@@H](C)C(=O)NCCOc2ccc(Cl)cc2)S(C)(=O)=O)c1 224041151 ORVNGAWEOKFTIK-INIZCTEOSA-N 424.950 3.307 0 40 HGAB Cc1ccc(C(=O)NCCCN2CCC(C)CC2)c(I)c1 225027299 KHNLNFFGOAKSJN-UHFFFAOYSA-N 400.304 3.451 0 40 HGAB C[C@@H]1C[C@@H](C)CN(c2cc(N3CCCC3)nc(NC(=S)NC[C@@H]3CCCO3)n2)C1 225906824 ULCHYDPLNGIIFY-ZACQAIPSSA-N 418.611 3.025 0 40 HGAB CCc1ccc(N(CN2C(=O)[C@@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@H]3C2=O)C(=O)C(F)(F)F)cc1 226401601 RFOFHNPTHLVBIS-PDCGBLAGSA-N 418.415 3.155 0 40 HGAB Cc1ccc([C@@H]2[C@H]3C=C[C@]4(O3)[C@@H](C(=O)NC3CCCC3)N(C(C)(C)C)C(=O)[C@H]24)cc1 245227182 DXOLGWOCJNTKGM-VWUIQGKGSA-N 408.542 3.470 0 40 HGAB COc1ncc([C@]2(O)CCC[C@H]3CN(Cc4ccc(Cl)cc4)C[C@H]32)c(OC)n1 247887571 SEWGQILUYUHYJF-RRMPHLOHSA-N 403.910 3.267 0 40 HGAB COc1ncc(CN2CC3(CO[C@@H]4c5cccc(OC)c5OC(C)(C)[C@H]4C3)C2)cn1 257220651 DLOZLOMEXLZBBT-PKOBYXMFSA-N 411.502 3.245 0 40 HGAB CC(=O)N1CCN(C(=O)c2ccccc2OCc2nonc2C)[C@@H](c2ccccc2)C1 257242683 IDRZLUAILFKCQM-OAQYLSRUSA-N 420.469 3.003 0 40 HGAB CC(C)c1n[nH]c(CC(=O)N2CCO[C@@H](c3cccc(Cc4ccccc4)n3)C2)n1 257295290 QXSFLNCLCNHUNX-HXUWFJFHSA-N 405.502 3.057 0 40 HGAB COc1cccc(C(=O)N2CCC[C@@](COc3ccc(F)cc3)(CC(N)=O)C2)c1 257343416 ZSXHADSKDRPUPZ-JOCHJYFZSA-N 400.450 3.011 0 40 HGAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)N[C@H](C)c1ccc(C)c(C)c1)O2 260577944 PWRWFHMAMAYXKC-UZLBHIALSA-N 402.516 3.016 0 40 HGAB COCCN1CC[C@@]2(CN(Cc3cccc(C)c3)C[C@@H]2c2cn(C(C)C)cn2)C1=O 306134936 OBXYVHMFRUGUEZ-QPPBQGQZSA-N 410.562 3.237 0 40 HGAB CCOc1ccccc1N1C[C@H](C(=O)OCC(=O)Nc2ccc(C)cc2C)CC1=O 408656266 IQPNIURYEZJJOE-QGZVFWFLSA-N 410.470 3.237 0 40 HGAB COc1ccc(-c2nnc(CN(C)S(=O)(=O)c3ccc(Cl)cc3)o2)cc1OC 408714018 GOZZQHRHCCTYTC-UHFFFAOYSA-N 423.878 3.228 0 40 HGAB Cc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1C 409140837 STSWSJJCZULXBV-OAHLLOKOSA-N 400.862 3.492 0 40 HGAB COc1ccc(Br)c(C(=O)N2CCN(c3ccc(C4CC4)nn3)CC2)c1 575618310 ALUJZTLXUVGHJG-UHFFFAOYSA-N 417.307 3.088 0 40 HGAB C[C@@H](NC(=O)N[C@@H]1COc2c(F)cc(F)cc2C1)c1ccc2c(c1)CCC(=O)N2 1521205492 GDUOQYZETKUIEG-BZNIZROVSA-N 401.413 3.213 0 40 HGAB CC(C)N1C(=O)c2ccccc2[C@@H](C(=O)N(C)C)C12CCN(Cc1ccccn1)CC2 1549166248 BSKDHQBEUPFSBE-QFIPXVFZSA-N 420.557 3.152 0 40 HGAB O=C(Nc1cccc(F)c1)c1cnn2c1CN(C(=O)c1cc(C3CC3)on1)CCC2 1565556219 PYUIFKZJWUPCKB-UHFFFAOYSA-N 409.421 3.186 0 40 HGAB Cc1cccc(C)c1NC(=O)CN(c1cccc(Br)c1)S(C)(=O)=O 824500 GERIGIIQYLEYSP-UHFFFAOYSA-N 411.321 3.471 0 40 HGAB O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(Cl)cc1Cl 840806 GHSMEGJBAJLXFE-UHFFFAOYSA-N 415.298 3.267 0 40 HGAB O=C1O[C@H](Nc2ccc(S(=O)(=O)Nc3ccc(Cl)nn3)cc2)c2ccccc21 1408075 KJRYWXJYNHHNBT-KRWDZBQOSA-N 416.846 3.212 0 40 HGAB CCc1cc2c(=O)c(-c3nc(C)cs3)c([C@H](C)N)oc2cc1OC(=O)[C@@H](C)N 1882462 QBUYAFYGACENJH-WDEREUQCSA-N 401.488 3.060 0 40 HGAB biogenic CC1(C)O[C@H]2[C@@H](O1)[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)O[C@@H]1OC(C)(C)O[C@H]21 2107139 JPMRKXGFGGGORQ-WZYWGQKZSA-N 417.380 3.040 0 40 HGAB biogenic CC(=O)Nc1ccc(S(=O)(=O)N2CCN=C2SCc2ccccc2C)cc1 2711513 NULQIDUFJMWTPB-UHFFFAOYSA-N 403.529 3.247 0 40 HGAB COC(=O)c1ccccc1NC(=O)COC(=O)/C=C/c1ccc(Br)o1 3269097 RHNDAIUSKLAMDA-VQHVLOKHSA-N 408.204 3.024 0 40 HGAB C[C@@H](Sc1nnc(-c2cccnc2)n1N)C(=O)Nc1ccc(Cl)cc1Cl 3323033 SMBVVCZJVUNLGC-SECBINFHSA-N 409.302 3.480 0 40 HGAB O=C(Nc1ccc(C(F)(F)F)cc1)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 3358602 CUPWIRGLYRSFFG-LBPRGKRZSA-N 406.360 3.468 0 40 HGAB O=C(OCc1cc(=O)n2cc(Br)ccc2n1)c1ccc2ncsc2c1 3531965 FQCIURAYAVUGNC-UHFFFAOYSA-N 416.256 3.424 0 40 HGAB O=C(Cn1cnc2ccccc2c1=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1 3621600 CKRZPIPTCGGBDJ-UHFFFAOYSA-N 414.469 3.020 0 40 HGAB Cc1cccc(-c2nc3scc(CCNC(=O)c4ccc5c(c4)OCO5)n3n2)c1 4374739 XCLRMFZSSQKAOJ-UHFFFAOYSA-N 406.467 3.467 0 40 HGAB Cc1occc1-c1nnc(SCC(=O)NCc2ccccc2)n1C[C@H]1CCCO1 4860344 VBHOWTQQLZQHMS-QGZVFWFLSA-N 412.515 3.434 0 40 HGAB CCOc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccccc3CC)C2)cc1 5037653 CGZKFPORRHTVDV-KRWDZBQOSA-N 410.470 3.183 0 40 HGAB Cc1cc(C)c(S(=O)(=O)Nc2cc(N3CCCS3(=O)=O)ccc2C)cc1C 5075781 XEIJMKXBMPKIMF-UHFFFAOYSA-N 408.545 3.261 0 40 HGAB CCCNC(=O)NC(=O)COC(=O)CSC(c1ccccc1)c1ccccc1 5936276 IIXXNKUKSCYONH-UHFFFAOYSA-N 400.500 3.288 0 40 HGAB O=C(c1ccc2ncsc2c1)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 6647598 LYTAIXZWQOVOGQ-MDWZMJQESA-N 413.524 3.055 0 40 HGAB COc1ccc(C(=O)Nc2nn3c(-c4ccc(OC)c(OC)c4)nnc3s2)cc1 6818116 VBJZJZJFKFUDFK-UHFFFAOYSA-N 411.443 3.131 0 40 HGAB C[C@H](c1ccccc1)N1C[C@H](C(=O)OCC(=O)Nc2ccc(Cl)cc2)CC1=O 7232476 XDXSOMBSAOKGRJ-GDBMZVCRSA-N 400.862 3.431 0 40 HGAB CCCn1nnnc1NCc1cc(Br)cc(Br)c1OC 7263342 ATTFEPWSKVOZCJ-UHFFFAOYSA-N 405.094 3.229 0 40 HGAB O=C(CN1CCC[C@H]1c1ccc2c(c1)OCCO2)Nc1ccc(N2CCCC2=O)cc1 7362415 NYXVCTCYKUHTJS-FQEVSTJZSA-N 421.497 3.360 0 40 HGAB CNC(=O)c1ccc(CN(C)C(=O)/C=C/c2cccc(OC)c2OC(F)F)cc1 7848326 WZNGKQPWWMXKTI-VAWYXSNFSA-N 404.413 3.328 0 40 HGAB Cc1ccc(NC(=O)/C=C/c2cc(Br)ccc2F)cc1S(N)(=O)=O 8010256 XFCMITWXLAQOSS-XVNBXDOJSA-N 413.268 3.196 0 40 HGAB CCCc1cc(C(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)sc1C 8096324 MHYQYQAFQSCZDN-UHFFFAOYSA-N 406.573 3.297 0 40 HGAB CN(CC(=O)Nc1cccc(Br)c1)S(=O)(=O)/C=C/c1ccccc1 8272058 MNDSURYSUFVBKL-ZHACJKMWSA-N 409.305 3.320 0 40 HGAB CC(=O)N1CCCc2cc(S(=O)(=O)NCc3ccc(OC(C)C)cc3)ccc21 8600779 KTVBVFDPPXGSLN-UHFFFAOYSA-N 402.516 3.251 0 40 HGAB Cc1cc(C)cc(-n2nnnc2SCC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)c1 8861860 MEQRXFFRGYFXRT-HNNXBMFYSA-N 422.514 3.135 0 40 HGAB COc1cccc(NC(=O)[C@H](Cc2ccccc2)n2c(=O)[nH]c3ccccc3c2=O)c1 8994105 ZGIMNRPSFIFVCV-NRFANRHFSA-N 415.449 3.121 0 40 HGAB Cc1ccc(NC(=O)COC(=O)c2cc(=O)[nH]c3ccccc23)cc1Br 9124873 TXSBMAVCHHPBOO-UHFFFAOYSA-N 415.243 3.395 0 40 HGAB Cc1ccc(-c2cc3c(=O)n(CC(=O)NCc4ccc(Cl)cc4)ccn3n2)cc1 9321121 NINDMLKOXOSRLU-UHFFFAOYSA-N 406.873 3.441 0 40 HGAB COc1ccc(N2CCn3c(SCC(=O)N4CCc5ccccc54)nnc32)cc1 9574022 CCPZEDKRMQSWCC-UHFFFAOYSA-N 407.499 3.120 0 40 HGAB COc1ccc(OC)c(S(=O)(=O)NC[C@H](c2cccc3ccccc23)N(C)C)c1 10335642 ZMTPGVAMZRYBAA-HXUWFJFHSA-N 414.527 3.438 0 40 HGAB CC(C)CC(=O)N1CCC[C@H](c2nc(N3CCOCC3)ncc2-c2cccnc2)C1 12119449 LUKRJMWFCGGNQJ-IBGZPJMESA-N 409.534 3.127 0 40 HGAB O=C(CCC(=O)OCCCc1ccccc1)Nc1ccccc1C(=O)N1CCOCC1 12293929 DAFJXSHHDUBFHB-UHFFFAOYSA-N 424.497 3.054 0 40 HGAB COc1ccc(F)cc1C1=NN(C(=O)CCC(=O)O)[C@H](c2ccc3nccnc3c2)C1 12407922 KBMAYINBHLWZAQ-IBGZPJMESA-N 422.416 3.320 0 40 HGAB O=C1C[C@@H](C(=O)N(Cc2cccnc2)C2CC2)CN1c1cccc(Br)c1 12546138 HHXBLQKKZLXECL-OAHLLOKOSA-N 414.303 3.388 0 40 HGAB COC(=O)c1sccc1S(=O)(=O)N[C@H](C)c1nc2ccccc2n1C(F)F 12560230 RSJHOEBTNOCRQZ-SECBINFHSA-N 415.443 3.319 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3csc4c3CC[C@@H](C)C4)CC2)cc1 12738782 IJPBIPUPZJKCFI-MRXNPFEDSA-N 418.584 3.328 0 40 HGAB COc1ccc([C@@H](CNC(=O)CNC(=O)c2ccccc2Cl)N2CCCC2)cc1 13009099 YCDJBSSALFSVAT-HXUWFJFHSA-N 415.921 3.032 0 40 HGAB CCN1CCN(c2ccc(NCc3cc4cc(OC)c(OC)cc4[nH]c3=O)cc2)CC1 13564182 MGKNDDLVXIICAD-UHFFFAOYSA-N 422.529 3.299 0 40 HGAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2ccccc2SC)cc1 13633389 NBJTYERBQQMRGA-UHFFFAOYSA-N 408.545 3.457 0 40 HGAB CC(C)CNC(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1 13681177 USGWFPQQCBUGTL-UHFFFAOYSA-N 407.363 3.307 0 40 HGAB COc1ccc(-c2nc3c4c(C)c(C)n(CCCN(C)C)c4ncn3n2)cc1OC 13682286 ORPZSDJXBNGCNO-UHFFFAOYSA-N 408.506 3.332 0 40 HGAB COc1ccccc1-c1nnc2ccc(OCCNC(=O)Nc3ccccc3)nn12 13706347 NFORLOFWRYBVIJ-UHFFFAOYSA-N 404.430 3.000 0 40 HGAB O=C(COc1ccc2cc(-c3ccc(Cl)cc3)c(=O)oc2c1)N1CCC[C@H]1CO 13728567 YMVNMBDHDOJINJ-KRWDZBQOSA-N 413.857 3.476 0 40 HGAB COc1ccc(S(=O)(=O)Nc2ccc(CC(=O)N3CCCC3)cc2)cc1Cl 13848807 PDVKNKZVWIZVDB-UHFFFAOYSA-N 408.907 3.314 0 40 HGAB CCn1c(CC(=O)Nc2cccc(C)c2)nnc1S[C@H](C)C(=O)NC1CCCC1 13956598 OBVRRYJBSWOCIP-OAHLLOKOSA-N 415.563 3.327 0 40 HGAB O=C(c1cc2cc(F)ccc2s1)N1CCN(S(=O)(=O)c2cccs2)CC1 14182014 OKEJRTZVXCKEJM-UHFFFAOYSA-N 410.517 3.249 0 40 HGAB C[C@H](OC(=O)C1(CC(=O)N2CCOCC2)CCCC1)C(=O)c1c[nH]c2ccccc12 14244888 LYIAKDTVLPTMET-INIZCTEOSA-N 412.486 3.092 0 40 HGAB Cc1ccccc1[C@@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 14936330 BHZNVQIBJBSVSH-SJORKVTESA-N 404.507 3.412 0 40 HGAB COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)N1CCC[C@H](C)C1 15419585 UQHOZVXQMPKBEI-INIZCTEOSA-N 414.527 3.319 0 40 HGAB C[C@H]1Cc2ccccc2N1C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 15576734 HAWBXZRSRBVUHW-RDJZCZTQSA-N 402.491 3.204 0 40 HGAB COc1ccc(C(=O)N2CCN(Cc3cc(=O)c4c(C)cc(C)cc4[nH]3)CC2)cc1 15865384 CSRYKNYWKWQRTM-UHFFFAOYSA-N 405.498 3.112 0 40 HGAB Cc1cc(C)cc(OCC(=O)NC(=S)Nc2ccc(CN3CCOCC3)cc2)c1 16269282 IRIGFFMAVZMVEX-UHFFFAOYSA-N 413.543 3.028 0 40 HGAB CC(=O)N1CCc2cc(C(=O)[C@H](C)OC(=O)c3cc(O)nc4ccccc34)ccc21 16753785 IJWFYNBZHPOXHF-ZDUSSCGKSA-N 404.422 3.278 0 40 HGAB Cc1ccc(S(=O)(=O)N(C[C@H](O)Cn2nc(C)cc2C)c2ccc(F)cc2)cc1 16839630 WGMNJZQBWIVIFU-HXUWFJFHSA-N 417.506 3.204 0 40 HGAB O=C(Cn1cc(S(=O)(=O)Cc2cccc(F)c2)c2ccccc21)N1CCCC1 17200865 HUARXFLRQABLCL-UHFFFAOYSA-N 400.475 3.377 0 40 HGAB C[C@@H]1CN(C(=O)c2ccc(NS(=O)(=O)/C=C/c3ccccc3)cc2)C[C@@H](C)O1 17327934 PMSQVIUYSJFYBX-JGJWRRPTSA-N 400.500 3.349 0 40 HGAB COc1ccc([C@@H]2[C@@H]3C(=O)N(c4c(C)cc(C)cc4C)C(=O)[C@H]3N3CCCN23)cc1 19166986 DPVCZYOJVPHRRJ-NNWRFLSQSA-N 405.498 3.156 0 40 HGAB Cc1c(-c2csc(NC(=O)CCCN3C(=O)CCC3=O)n2)c2ccccc2n1C 19581842 VNUQVMBOLGHDEF-UHFFFAOYSA-N 410.499 3.478 0 40 HGAB COc1cc(C)c(CN2CCO[C@H](c3ncncc3-c3noc(C)n3)C2)c(C)c1C 19693771 KCBKNPAABVOBPD-FQEVSTJZSA-N 409.490 3.342 0 40 HGAB C[C@H](CCN1CCC(Cc2nn(C)cc2C(=O)N2CCOCC2)CC1)c1ccccc1 19756408 PGOOJKVOQWJEAV-HXUWFJFHSA-N 424.589 3.341 0 40 HGAB CCN(c1ccc(OCC(=O)N[C@H]2CCCc3ccccc32)cc1)S(C)(=O)=O 20030542 KBXQBQWCRMYRRB-FQEVSTJZSA-N 402.516 3.045 0 40 HGAB COc1ccc(-c2cc(C(=O)NC[C@H](c3ccccc3)N3CCOCC3)no2)cc1 21805403 SHQLSLNAHNKVDQ-OAQYLSRUSA-N 407.470 3.154 0 40 HGAB COc1cccc([C@H](c2sc3nc(-c4ccco4)nn3c2O)N2CCOCC2)c1 22852457 PLPHCHGFTUGUTK-MRXNPFEDSA-N 412.471 3.187 0 40 HGAB CCOC(=O)N1CCC(NC(=O)Cc2csc(Nc3ccc(F)cc3)n2)CC1 23136611 IZXSDTPHUCYIPT-UHFFFAOYSA-N 406.483 3.305 0 40 HGAB CC(=O)c1sc(NC(=O)[C@H]2CS[C@]3(C)CCC(=O)N23)nc1-c1ccccc1 23682908 IYEBNRBUZOAUBQ-BFUOFWGJSA-N 401.513 3.405 0 40 HGAB COc1cccc(NC(=O)COc2ccc(C(=O)N(C)Cc3cc(C)on3)cc2)c1 25139322 SPQZWSHPBITCOU-UHFFFAOYSA-N 409.442 3.281 0 40 HGAB O=C(NCCSC1CCCC1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 25247563 JSSSKNOEMHMFKA-OAHLLOKOSA-N 414.568 3.018 0 40 HGAB COc1cc(OC)c(C2=CCN(S(=O)(=O)Cc3ccc(F)cc3)CC2)c(OC)c1 25371675 QMSUEIBFZWQYJT-UHFFFAOYSA-N 421.490 3.471 0 40 HGAB CCc1ccc(C(=O)N2CCN(C(=O)c3cc(Br)ccc3O)CC2)cc1 25466862 XWKMXJWDASNJEB-UHFFFAOYSA-N 417.303 3.315 0 40 HGAB CC(C)[C@H](NC(=O)c1ccccc1F)C(=O)NC[C@@H](c1ccco1)N1CCCC1 27333881 ODMFZMHKDBTGQL-ICSRJNTNSA-N 401.482 3.126 0 40 HGAB COc1ccc(OC)c(CN2CCN(C(=O)c3ccc(-n4cccc4)cc3)CC2)c1 29985847 WOEUFKAKJSXDGJ-UHFFFAOYSA-N 405.498 3.453 0 40 HGAB O=c1nc2n(Cc3cccc(C(F)(F)F)c3)cccc-2c(=O)n1Cc1ccncc1 32641755 ZXEDVKRBANBCRL-UHFFFAOYSA-N 412.371 3.020 0 40 HGAB O=C(CNc1ccccc1Oc1ccccc1)NN1C(=O)NC2(CCCCC2)C1=O 32753272 JXVQKYSRCWXKHJ-UHFFFAOYSA-N 408.458 3.177 0 40 HGAB CCOc1ccc(OCCNC(=O)CN2CCn3cccc3[C@H]2c2ccccc2)cc1 32825338 YFMQRAAZNMAGEO-RUZDIDTESA-N 419.525 3.487 0 40 HGAB O=C(COc1ccc2c(c1)CCC(=O)N2)NCCc1ccc(Br)s1 32905767 CRSLGYAHBPARFX-UHFFFAOYSA-N 409.305 3.133 0 40 HGAB COc1ccc(OC[C@H](O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 32907326 HRGDLWODGXJKPQ-ZIAGYGMSSA-N 400.500 3.031 0 40 HGAB O=C(NCc1ccc(-n2ccnc2)nc1)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 33043275 OHEPBOWKONNHFF-SFHVURJKSA-N 423.904 3.089 0 40 HGAB Cn1nc(-c2ccccc2)cc1C(=O)N1CCN(C(=O)[C@H]2C[C@H]2c2cccs2)CC1 38730955 MPQQJFQHPXDIHB-MSOLQXFVSA-N 420.538 3.237 0 40 HGAB C[C@@H](OC(=O)c1cccc(OCC(N)=O)c1)C(=O)Nc1cc(Cl)ccc1Cl 40066833 BLKWXERFJKHZLF-SNVBAGLBSA-N 411.241 3.042 0 40 HGAB Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)c1ccc(S(=O)(=O)N2CCCC2)o1 40142598 QGCLDGPWIKMTOE-HNNXBMFYSA-N 406.504 3.409 0 40 HGAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)N[C@@H](C)CCc1ccccc1 43397798 VTAHYQUHUCXPSE-HNNXBMFYSA-N 405.520 3.088 0 40 HGAB COc1ccc(S(=O)(=O)N[C@H]2CCCc3ccccc32)cc1C(=O)NC(C)C 44904730 JCNKEOBMXVXMJP-IBGZPJMESA-N 402.516 3.189 0 40 HGAB CCOC(=O)c1ccccc1NC(=O)c1ccc(CS(=O)(=O)N2CCCC2)cc1 44948147 LKKPOVQUMRCJGI-UHFFFAOYSA-N 416.499 3.041 0 40 HGAB O=C(CSc1cc(-n2cccn2)ncn1)Nc1ccc(Br)cc1F 49404015 CEGHSQXXXLBHJP-UHFFFAOYSA-N 408.256 3.295 0 40 HGAB O=S(=O)(c1ccc2nncn2c1)N(Cc1ccc(F)cc1)c1cccc(F)c1 49408448 ZRRBRAHBDVNUIT-UHFFFAOYSA-N 400.410 3.403 0 40 HGAB O=C(CCCN1C(=O)NC2(CCCC2)C1=O)Nc1nc(-c2cccs2)cs1 58128557 PDUZTXZPOSSDCM-UHFFFAOYSA-N 404.517 3.455 0 40 HGAB CSc1cccc(NC(=O)CNC(=O)N2CCN(c3ccc(F)cc3)CC2)c1 71286054 LFVSRAWSERCQRR-UHFFFAOYSA-N 402.495 3.018 0 40 HGAB Cc1c(C(=O)Nc2ccccc2Cl)nnn1CC(=O)Nc1ccc(F)cc1F 71327133 PNBZJWLUAJFUHK-UHFFFAOYSA-N 405.792 3.409 0 40 HGAB CC1(C)CN(C(=O)C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)C1(C)C 72311693 DSSUZCJPKPYIIR-UHFFFAOYSA-N 410.444 3.007 0 40 HGAB CCn1ccc(C(=O)N2CCC[C@H](c3n[nH]cc3C(=O)N(C)C3CCCCC3)C2)n1 72344777 IFXNDIJWAQOKLW-INIZCTEOSA-N 412.538 3.051 0 40 HGAB CCCn1ncc(C(=O)N2CCC[C@H](c3nnsc3-c3cc(C)no3)C2)c1C 72396720 GFVMLCFMAAHFQT-AWEZNQCLSA-N 400.508 3.436 0 40 HGAB O=C(COc1ccccc1-c1nc[nH]n1)Nc1ccc(I)cc1 84514379 OVSXEGGOISQRAJ-UHFFFAOYSA-N 420.210 3.094 0 40 HGAB CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H](CCO)c2ccccc2)c1 84597164 IBLDHDHEJZDTCP-IBGZPJMESA-N 424.950 3.222 0 40 HGAB Cn1c(CN2CCCCCC2)cc(=O)c(O)c1CN1CCO[C@H](c2ccccc2)C1 95480128 ZXTUUBLLUHUDIF-QHCPKHFHSA-N 411.546 3.040 0 40 HGAB O=C1C[C@@H](C(=O)N2CCN(c3ccc(F)cc3)CC2)CN1Cc1ccccc1Cl 95948260 ZLGRUNHSCFXGRS-QGZVFWFLSA-N 415.896 3.176 0 40 HGAB CCc1ccc(S(=O)(=O)N2CC[C@]3(C[C@@H]3C(=O)NCc3cccs3)C2)cc1 96227682 ZOYGDGJIOCLLLX-QUCCMNQESA-N 404.557 3.028 0 40 HGAB CCOCCOc1ccc(Br)cc1CNc1cccnc1-n1cncn1 97143592 JBBMBEJCDAEILR-UHFFFAOYSA-N 418.295 3.452 0 40 HGAB CC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@@H]5ON=C(c6ccc(C)cc6)[C@@H]54)[C@H]3C2=O)cc1 100204645 LIHHUAIRASNQRP-HDQOXPTLSA-N 414.461 3.372 0 40 HGAB COc1ccc(-c2nc(NC(=O)CN3C(=O)[C@H]4CC=CC[C@H]4C3=O)sc2C)cc1 102313719 YJIOWSXMNHPLSQ-IYBDPMFKSA-N 411.483 3.017 0 40 HGAB Cc1ccc(NC(=O)c2c(N3C(=O)[C@@H]4[C@@H]5CC[C@H](O5)[C@@H]4C3=O)sc3c2CCC3)cc1 102343596 XAOGRONEMHVGDY-STEAMIEHSA-N 422.506 3.464 0 40 HGAB CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)CC23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)cc1 104700491 KPPGJPARSWLROV-WZGNDQMWSA-N 420.575 3.375 0 40 HGAB CCc1cccc(CC)c1NS(=O)(=O)c1ccc(OC)c(N2C(=O)CCC2=O)c1 222943016 KXJUQGOPGORDJB-UHFFFAOYSA-N 416.499 3.274 0 40 HGAB S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2-c2ccncc2)N1C[C@@H]1CCCO1 223299410 VAWSLDHIIGMQII-YYWHXJBOSA-N 405.527 3.419 0 40 HGAB Cc1cc(C)cc(OCCNC(=O)CN(c2cc(Cl)ccc2C)S(C)(=O)=O)c1 224064599 VHCIJTQHLTZORG-UHFFFAOYSA-N 424.950 3.226 0 40 HGAB COc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)N(C)Cc3ccco3)c2)cc1 224504174 QLQFNWTZLPEZNG-UHFFFAOYSA-N 414.483 3.386 0 40 HGAB CCc1ccc(OCCNC(=O)CCCN(c2ccccc2C)S(C)(=O)=O)cc1 224642298 SLKMVPPSIHXCPQ-UHFFFAOYSA-N 418.559 3.299 0 40 HGAB COc1cccc(CN(C(=O)COc2ccccc2F)[C@@H](C)C(=O)NC(C)C)c1 225665050 QNAPHGIPECFKCW-INIZCTEOSA-N 402.466 3.155 0 40 HGAB NC(=O)C1CCN(C(=O)CCc2nc(-c3ccc(-c4ccccc4)cc3)no2)CC1 225832674 BECFYPRYAYXKSD-UHFFFAOYSA-N 404.470 3.060 0 40 HGAB COC[C@]1(C(N)=S)[C@@H](c2ccc(F)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 242473269 FEMCYQTXYCHKMX-JZXOWHBKSA-N 413.923 3.338 0 40 HGAB COc1ccc(F)c(CN2[C@H]3CC[C@H]2c2cnc(N4CCC[C@H](CO)C4)nc2C3)c1 247890944 MTOIFXRAIVQWJT-YHEJKZAPSA-N 412.509 3.095 0 40 HGAB COc1cccc(OC)c1[C@H]1OCC[C@@]23C[C@@H](C[C@H]12)C(C)(C)[C@H]3NC(=O)CCO 257221023 DNEYFPTXTIJEQT-FBZRESJNSA-N 403.519 3.085 0 40 HGAB CN(C(=O)CCC(=O)O)[C@@H]1CCC[C@@H](Oc2ccccc2Oc2ccccc2)[C@@H]1O 257277846 NZSURHWXIOHXJO-HCLVMJGWSA-N 413.470 3.463 0 40 HGAB CSc1cccc(NC(=O)CNS(=O)(=O)c2ccc(Br)cc2)c1 409159930 BYUCRWMHBXEJMO-UHFFFAOYSA-N 415.334 3.088 0 40 HGAB COc1ccccc1NC(=O)COc1ccc(S(=O)(=O)NC(C)C)cc1Cl 409377119 DTHAOVSMQLMJKT-UHFFFAOYSA-N 412.895 3.053 0 40 HGAB Cc1nc(-c2cccc(C(F)(F)F)c2)[nH]c1C(=O)N1CCO[C@]2(CCCOC2)C1 553018986 ZNBBSOCNHOJBLX-LJQANCHMSA-N 409.408 3.426 0 40 HGAB O=S(=O)(NCc1nccnc1-c1ccsc1)c1ccccc1Br 575618253 FZYIERKMLWZOOM-UHFFFAOYSA-N 410.318 3.446 0 40 HGAB CC(=O)N1CCC(C(=O)N2CCO[C@@H](c3cc(F)c(Cl)cc3Cl)C2)CC1 592780832 PDSGQCDGFFWMMP-QGZVFWFLSA-N 403.281 3.291 0 40 HGAB Cc1cc2c(N3CCN(C(=O)c4ccc5c(c4)CCCC(=O)N5)CC3)ncnc2s1 673151534 SXVAYIJSSFDPJA-UHFFFAOYSA-N 421.526 3.237 0 40 HGAB COC(=O)[C@@H](C)[C@@H](NC(=O)[C@@H](CCSC)NC(=O)OC(C)(C)C)c1ccccc1 1629587839 RLUVXDJCVNHQRN-USXIJHARSA-N 424.563 3.299 0 40 HGAB CC1CCN(C(=O)[C@@H]2CN(CC3CCOCC3)[C@H]3c4cc(F)ccc4OC[C@@H]23)CC1 1772595598 HFHLJLUZQNNHAX-GIWBLDEGSA-N 416.537 3.492 0 40 HGAB O=C([C@H]1CC(=O)N(c2ccccc2)C1)N1CCC(c2ccc3cccnc3n2)CC1 1888921764 CPRPOKVEYJQYAO-IBGZPJMESA-N 400.482 3.389 0 40 HGAB COc1cc(=O)n(C)cc1C(=O)N1CCC(c2ccc3cc(C4CC4)cnc3n2)CC1 1890427786 DWOOUNJCALMCAV-UHFFFAOYSA-N 418.497 3.234 0 40 HGAB O=C(CN1CC[C@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@H]21)N1CCc2ccccc21 2086889744 WFBAJBBJCKHIQL-QFBILLFUSA-N 416.447 3.200 0 40 HGAB O=C1c2sc3nc(=O)c(-c4ccccc4)nn3c2C(=O)N1c1ccc(Cl)cc1 954380 OBNIJLIOQOKVDT-UHFFFAOYSA-N 408.826 3.272 0 40 HGAB CC(C)(C)[C@@H]1CCc2c(sc3nnn(CC(=O)NCc4ccccc4)c(=O)c23)C1 1321016 HSHNMQXMZZWCGA-OAHLLOKOSA-N 410.543 3.320 0 40 HGAB O=C(Nc1ccc(Br)cc1)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 1438645 GHBJVSLIOZTGKI-CQSZACIVSA-N 423.332 3.489 0 40 HGAB CCn1cc(CN(C)C(=O)c2ccc(Cn3nc(C)c(Br)c3C)o2)cn1 2779085 ZUSNHGNUMPBWGJ-UHFFFAOYSA-N 420.311 3.392 0 40 HGAB COc1ccc(-c2nnc(SCC(=O)Nc3cccc(Cl)c3C)n2N)cc1 3406143 HIFXOUJQIGWULU-UHFFFAOYSA-N 403.895 3.360 0 40 HGAB Cc1ccccc1NC(=O)CSc1nc(=O)n(Cc2cccnc2)c2c1CCC2 4330046 PYVNPYAFBMTXQS-UHFFFAOYSA-N 406.511 3.215 0 40 HGAB Cc1nc2sc3c(c2c2nnc(SCC(=O)N4CCCC4)n12)CC[C@@H](C)C3 4848046 FJUJZOPEEHYXRF-LLVKDONJSA-N 401.561 3.487 0 40 HGAB Cc1ccc(C)c(N(CC(=O)NC(C)(C)C)C(=O)CCC(=O)Nc2nccs2)c1 4848349 DJNPVLKADPTHCE-UHFFFAOYSA-N 416.547 3.427 0 40 HGAB COc1ccccc1C(=O)N/C(=C\c1ccc2c(c1)OCO2)C(=O)N1CCCCC1 4907105 OJOLANYYKSSAGR-AQTBWJFISA-N 408.454 3.207 0 40 HGAB biogenic Cc1ccccc1S(=O)(=O)Nc1nc2ccccc2nc1N1C[C@@H](C)O[C@H](C)C1 4956980 ZFTZZSJQPNXAFX-HZPDHXFCSA-N 412.515 3.353 0 40 HGAB CCOc1cccc(C(=O)N(Cc2ccc(CC)cc2)[C@@H]2CCS(=O)(=O)C2)c1 5111364 OYXXUEXPYMSEGM-HXUWFJFHSA-N 401.528 3.477 0 40 HGAB CC[C@H]1CCc2sc(-c3nnc(S[C@H](C(=O)NC(N)=O)C(C)C)n3C)cc2C1 5776383 IVQJXMOIPSOYAD-NHYWBVRUSA-N 421.592 3.370 0 40 HGAB CC(C)(C)C(=O)Cn1c(=O)c2c(ncn2C2CCCC2)n(Cc2ccccc2)c1=O 6105480 WUTFNVKYHBUCCJ-UHFFFAOYSA-N 408.502 3.138 0 40 HGAB Cc1cccc(C(=O)N(CCC(C)C)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)c1 6218961 MESVQVYKVYXEEW-UHFFFAOYSA-N 420.513 3.168 0 40 HGAB Cc1cccc(N2CCN(C(=O)CNC(=O)Cc3cccc4ccccc34)CC2)c1C 6253062 QJXIHTNNTXIPHQ-UHFFFAOYSA-N 415.537 3.464 0 40 HGAB COC(=O)c1sc(NC(=O)/C=C/c2ccc3c(c2)OCO3)c(C(=O)OC)c1C 6254227 YGPZKYVASBMWQJ-FNORWQNLSA-N 403.412 3.010 0 40 HGAB CC(C)OCCCNC(=O)CCc1ccc(S(=O)(=O)NCc2ccccc2)cc1 6344101 QSZJFDFSOZNCPS-UHFFFAOYSA-N 418.559 3.029 0 40 HGAB CCn1c(SCC(=O)NC2CCCC2)nnc1[C@H](C)NC(=O)c1cccc(C)c1 6359429 GPSCTFQYXLHDNI-HNNXBMFYSA-N 415.563 3.248 0 40 HGAB COc1cc([C@@H]2[C@@H]3CCCC[C@]3(O)CCN2CC(=O)N2CCCCC2)ccc1O 6641631 WTNJGYFYMAQZAK-NMNUPHIUSA-N 402.535 3.081 0 40 HGAB biogenic COCCCn1c(=O)c2sccc2n(Cc2cccc(Br)c2)c1=O 6679286 PIQFACIOZMMPLX-UHFFFAOYSA-N 409.305 3.072 0 40 HGAB Cc1cccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)on3)cc2)c1 6858616 ARMZWJZGWOHBIP-OAHLLOKOSA-N 415.471 3.498 0 40 HGAB C[C@@H](NC(=O)CSc1nnc(CN2CCCC2)n1-c1ccccc1)c1ccco1 7318519 RBBKNVBIRFEDFD-MRXNPFEDSA-N 411.531 3.426 0 40 HGAB CN(CC(=O)N1CCN(C(=O)c2cccs2)CC1)Cc1ccc(C(C)(C)C)cc1 7606279 SYARZVAVQUBTAE-UHFFFAOYSA-N 413.587 3.462 0 40 HGAB O=C1CN(C(=O)COc2ccccc2C(=O)Nc2ccccc2)c2ccccc2N1 8190294 MQAICRICBVTOEJ-UHFFFAOYSA-N 401.422 3.303 0 40 HGAB COc1cccc(CNC(=O)CSc2nc3ccccc3c(=O)n2CC(C)C)c1 8230077 NACBHNXEDFVBJQ-UHFFFAOYSA-N 411.527 3.470 0 40 HGAB Cc1ccc(C(=O)O)cc1NC(=O)c1cccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 8470420 VGMXOALPPZAPQF-QZTJIDSGSA-N 404.422 3.401 0 40 HGAB COc1ccc2c(c1OC)C(=O)O[C@@H]2N1C(=O)CC[C@H]1C(=O)Nc1ccc(C)c(C)c1 9033939 SFOCOTSCDYWLAO-AOMKIAJQSA-N 424.453 3.119 0 40 HGAB biogenic O=C(C1CCN(c2ncnc3[nH]cnc23)CC1)N1CCC(Cc2ccccc2)CC1 9059758 JLOVYQOCRAZRDB-UHFFFAOYSA-N 404.518 3.051 0 40 HGAB O=C(CSc1nc(O)c2cnn(-c3cccc(Cl)c3)c2n1)NCc1ccco1 9590908 BVSQXYCSHTWKGP-UHFFFAOYSA-N 415.862 3.176 0 40 HGAB C[C@@H]1Cc2cc(C(=O)NCc3ccccn3)ccc2N1S(=O)(=O)c1ccccc1 10325035 MXKAHQTZOWYLJR-MRXNPFEDSA-N 407.495 3.152 0 40 HGAB CCOC(=O)c1ccc(C)c(NC(=O)CN(c2cccc(C)c2C)S(C)(=O)=O)c1 10444863 NVQJDSDDFQWISH-UHFFFAOYSA-N 418.515 3.193 0 40 HGAB CCS(=O)(=O)c1ccc(NC(=O)COc2ccc(Br)cc2F)cc1 11542190 XIUQSHTVPPQOQL-UHFFFAOYSA-N 416.268 3.399 0 40 HGAB CC(C)(C)C1=NN(CC(=O)NCc2cccnc2)C(=O)c2cc3ccccc3n2C1 12145902 JIYUNCXEHGYNAS-UHFFFAOYSA-N 403.486 3.211 0 40 HGAB CCc1cc(C(F)(F)F)n2nc([C@H]3CCN(C(=O)C[C@@H](C)n4ccnc4)C3)cc2n1 12221286 PQPLOBCSEIXAMN-KGLIPLIRSA-N 420.439 3.474 0 40 HGAB Cc1cc(C(=O)CN2C(=O)CNC2=O)c(C)n1C(c1ccccc1)c1ccccc1 12748302 WWYFMXDNRWLYNG-UHFFFAOYSA-N 401.466 3.477 0 40 HGAB C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)S(=O)(=O)c1ccc(C(F)(F)F)cc1 12773908 BFKCULSNHWZQCI-LBPRGKRZSA-N 421.462 3.491 0 40 HGAB C[C@H](NC(=O)CN1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1)c1ccccc1 12807553 WULNJUJZQGHQPE-KRWDZBQOSA-N 408.498 3.230 0 40 HGAB Cc1ccc(C(=O)Nc2nc3c(s2)CCC3)cc1S(=O)(=O)N1CCCCC1 12852449 RYNFNIIFAIMSDB-UHFFFAOYSA-N 405.545 3.367 0 40 HGAB COc1cc(C(=O)NC[C@@H](c2cccs2)N2CCOCC2)cc(Cl)c1OC 12903924 AZFYFGMHNJBXKQ-HNNXBMFYSA-N 410.923 3.222 0 40 HGAB CCOC(=O)c1c(C)[nH]c(C(=O)Cc2nc3sc4c(c3c(=O)[nH]2)CCCC4)c1C 12941648 QLJBFNYHWVFPDC-UHFFFAOYSA-N 413.499 3.410 0 40 HGAB O=C(COC(=O)CNC(=O)c1ccc2ccccc2c1)Nc1ccc(F)c(F)c1F 13063181 DCXBHYLRGNOYBV-UHFFFAOYSA-N 416.355 3.169 0 40 HGAB CCOC(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)N[C@@H](C)CC)c2)cc1 13101294 LEECOGFVTPMBGF-AWEZNQCLSA-N 404.488 3.192 0 40 HGAB CC(C)Cn1c(=O)c(CCC(=O)N2C[C@H](C)O[C@H](C)C2)nc2cc(Cl)ccc21 13607774 XSGHRDHYBDKWPX-GASCZTMLSA-N 405.926 3.274 0 40 HGAB COc1ccc(CNC(=O)[C@@H]2CCCN(C(=O)c3cc4ccccc4[nH]3)C2)cc1OC 13693410 WFYUCWMQOGPOEB-GOSISDBHSA-N 421.497 3.354 0 40 HGAB CN(C)[C@@H](CNC(=O)COc1ccc2c3c(c(=O)oc2c1)CCC3)c1cccs1 14080864 KRVSVJSOHMMANT-SFHVURJKSA-N 412.511 3.141 0 40 HGAB CCOC(=O)c1cc(CC)sc1NC(=O)Cn1c(=O)n(CC)c2ccccc21 14145560 RNJFZQMUPCJRTB-UHFFFAOYSA-N 401.488 3.262 0 40 HGAB O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)c1ccc(-c2nnn[nH]2)cc1 14168384 NPUKAUZNRFFBBW-UHFFFAOYSA-N 400.446 3.104 0 40 HGAB COc1cc(/C=C/C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cc(Cl)c1OCC(C)C 14227338 HWXRZJRTKZFNMN-LLYBFZRZSA-N 415.939 3.042 0 40 HGAB O=C(NC(=S)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O)c1ccc(Cl)cc1Cl 16031120 VARQQTKKMLANOU-NEPJUHHUSA-N 422.337 3.289 0 40 HGAB biogenic CC(C)c1nccn1[C@H](C)C(=O)N1CCN([C@@H](c2ccccc2)c2nccn2C)CC1 19454293 IGWGVNDWRJBDPJ-CTNGQTDRSA-N 420.561 3.235 0 40 HGAB CCOc1ccc(CN2CCC[C@H](c3ncccc3S(C)(=O)=O)C2)cc1OC 19533785 SVFOMEBODMWUKJ-KRWDZBQOSA-N 404.532 3.272 0 40 HGAB COc1ccc(OCCN2CCC[C@H]([C@@H]3C[C@H](C(F)F)n4ncnc4N3)C2)cc1 19556858 UDWVVUKKNOGQSJ-JCGIZDLHSA-N 407.465 3.068 0 40 HGAB COc1cccc([C@]2(O)CCC[C@@H]3CN(S(=O)(=O)c4ccccc4F)C[C@@H]32)c1 19565062 UGSOYORNTHRSMM-FYINFDKHSA-N 405.491 3.143 0 40 HGAB CNC(=O)[C@]1(Cc2cccc(-c3ccncc3)c2)CCCN(C(=O)c2ccccn2)C1 19591217 DEHRYUKUXRIVFZ-VWLOTQADSA-N 414.509 3.355 0 40 HGAB CCOc1ccc(-c2nc(Cn3c(=O)c4c(C)cc(C)nc4n(C)c3=O)c(C)o2)cc1 19625549 VHYLZMIGTQJPND-UHFFFAOYSA-N 420.469 3.122 0 40 HGAB CN(C)[C@@H](C(=O)Nc1ccc2c(c1)N(S(C)(=O)=O)CCC2)c1ccc(Cl)cc1 19664593 IZTUQOTURTVGAA-LJQANCHMSA-N 421.950 3.294 0 40 HGAB CCc1nc2ccccc2n1[C@@H](C)C(=O)Nc1ccc(N2CCCS2(=O)=O)cc1 19666284 HFCPPSFIWJSNIE-HNNXBMFYSA-N 412.515 3.338 0 40 HGAB Nc1ccc(-c2ccc(C3CCN(C(=O)COC[C@H]4CCCCO4)CC3)nc2)cn1 19687996 OCAULVVCRJVCFQ-HXUWFJFHSA-N 410.518 3.018 0 40 HGAB COC(=O)Cc1c(C)c2ccc3c(c2oc1=O)CN(Cc1cccc(OC)c1)CO3 19882396 UEONMPZHGUTVCE-UHFFFAOYSA-N 409.438 3.178 0 40 HGAB biogenic CCOc1ccccc1CNC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C 20106705 CGQPGMCFFYYUSW-UHFFFAOYSA-N 416.543 3.498 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)N[C@H]1CCCc2ccccc21 20111575 KVHWQQWTZJHELX-FQEVSTJZSA-N 414.527 3.287 0 40 HGAB Cc1ccc(NC(=O)c2c(NC(=O)CN3CCNCC3)sc3c2CCCC3)cc1 20470346 XDCDSFJHXZJHPL-UHFFFAOYSA-N 412.559 3.031 0 40 HGAB CCOC(=O)c1cccc(NC(=O)CNC(=O)N2CCc3c([nH]c4ccccc34)C2)c1 20717968 VRKYMBMANJUJNX-UHFFFAOYSA-N 420.469 3.051 0 40 HGAB biogenic COc1ccc(Cl)cc1S(=O)(=O)Cc1nc(-c2ccc3c(c2)OCO3)no1 23126275 CNVYMNIEIREFJD-UHFFFAOYSA-N 408.819 3.101 0 40 HGAB CC(C)(C)OC(=O)N1CCN(C(=O)CCNC(=O)c2ccc(C(C)(C)C)cc2)CC1 24029695 KULUASHGQKVXQT-UHFFFAOYSA-N 417.550 3.183 0 40 HGAB CCNc1nnc(SCCS(=O)(=O)c2ccc(Br)cc2)s1 24834708 ZIYYLOOJQASBMX-UHFFFAOYSA-N 408.368 3.298 0 40 HGAB CCc1ccc2oc(C(=O)N[C@@H]3CCCC[C@@H]3N3C(=O)CSC3=O)cc(=O)c2c1 28284128 UNAFUCGLRVUYRN-CABCVRRESA-N 414.483 3.092 0 40 HGAB COc1cc(OC)cc(C(=O)N2CCN(C(=O)c3ccc4ccccc4c3)CC2)c1 29168437 RVVNVWHZXXOHTG-UHFFFAOYSA-N 404.466 3.455 0 40 HGAB CCS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCCCSc1ccccc1 31552957 JOKOVMQERJUOSI-HXUWFJFHSA-N 418.584 3.062 0 40 HGAB CC1CCN(Cc2ccc(CNC(=O)c3cccc(S(C)(=O)=O)c3)cc2)CC1 32769510 DVDKQNMACAAYCM-UHFFFAOYSA-N 400.544 3.252 0 40 HGAB CCOC(=O)/C=C1/SCC(=O)N1CC(=O)Nc1ccccc1Oc1ccccc1 33527583 HDBIIWSFBADFLY-UDWIEESQSA-N 412.467 3.397 0 40 HGAB CCOc1ccc2[nH]c(=O)c([C@H]3c4cc(OC)c(OC)cc4CCN3C(C)=O)cc2c1 35313407 MYQCUVKGIYHDFS-HSZRJFAPSA-N 422.481 3.438 0 40 HGAB CCOC(=O)c1ccccc1NC(=O)CSc1ncnc2nc(N(C)C)sc12 35532621 DPCKXSLOZVVJOM-UHFFFAOYSA-N 417.516 3.060 0 40 HGAB O=C1C[C@@H](N2CCc3c([nH]c4ccc(Cl)cc34)C2)C(=O)N1c1ccc2c(c1)OCO2 36125701 KPQHIINAESLNPY-GOSISDBHSA-N 423.856 3.240 0 40 HGAB Cc1nc(N2CCCC2)ncc1-c1cc(=O)[nH]c(Nc2nc3ccccc3s2)n1 36235622 OAXQZLLWDRGNKP-UHFFFAOYSA-N 405.487 3.489 0 40 HGAB O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]21)NCCOc1ccc2ccccc2c1 37210650 IDFIBLKLCXOTRY-SVFBPWRDSA-N 413.543 3.061 0 40 HGAB CC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1OC)c1ccccc1 38772827 BGRGXXSZVKYGCP-LJQANCHMSA-N 402.516 3.361 0 40 HGAB CCc1ccc(Cl)c(CC)c1NC(=O)N1CCN(CC(=O)N2CCCC2)CC1 40103333 KGVKQVHTIAPWIQ-UHFFFAOYSA-N 406.958 3.237 0 40 HGAB O=C1CCCN1c1ccc(CSc2n[nH]c(=O)c3cc(-c4ccco4)nn23)cc1 45972171 CBSCBXNDYMQMOW-UHFFFAOYSA-N 407.455 3.097 0 40 HGAB CCn1c(CNC(=O)[C@@H]2CCCN(C(=O)Cc3ccccc3)C2)nc2ccccc21 46166423 PQGICPQZQAFRCX-LJQANCHMSA-N 404.514 3.154 0 40 HGAB Cc1cccc(N(Cc2ccccc2)S(=O)(=O)c2cccc(-n3cnnn3)c2)c1 48285942 SYVFOLWAKSOUBV-UHFFFAOYSA-N 405.483 3.366 0 40 HGAB CC(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1ccc(N2CCCCCC2)nc1 48303308 PCVDEEDBHJOHEX-QFIPXVFZSA-N 406.530 3.052 0 40 HGAB CCCCCCN(CCN1CCOCC1)C(=O)c1ccc2c(c1)NC(=O)CCS2 48362075 NKZJKOPQRXFKFU-UHFFFAOYSA-N 419.591 3.476 0 40 HGAB Cc1ccc(NS(=O)(=O)c2n[nH]c(C)c2C(=O)NCc2cc(F)cc(F)c2)cc1 49003415 OEYKRPNJZBMKJW-UHFFFAOYSA-N 420.441 3.036 0 40 HGAB COC(=O)c1cc(C(=O)OC)cc(-c2ccc([C@@H]3CC(O)=Nc4c3cnn4C)o2)c1 49546562 HIPZKIULLPOSOZ-CQSZACIVSA-N 409.398 3.377 0 40 HGAB O=C(Nc1ccsc1C(=O)NCc1ccc(Br)cc1)c1cnccn1 67335556 QIOJQHWDZWWGOJ-UHFFFAOYSA-N 417.288 3.483 0 40 HGAB Cc1cccn2c(=O)cc(CN3CCN(Cc4c(F)cccc4Cl)CC3)nc12 69448909 BFVBASLTPLMWOW-UHFFFAOYSA-N 400.885 3.113 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(NC(=S)Nc2ccc3c(c2)OCCO3)cc1 71761540 MQMHRYYPIAEUKQ-UHFFFAOYSA-N 421.544 3.297 0 40 HGAB CCCOc1ccc(CNC(=O)c2cn(-c3cc(-c4nc(C)no4)ccn3)cn2)cc1 71768362 QGVXLPUAAGNFQA-UHFFFAOYSA-N 418.457 3.345 0 40 HGAB CC(C)N(C)S(=O)(=O)N1CCC2(CC1)C[C@@H]2c1nnc(-c2cccc(F)c2)o1 71890648 AXLLTQDMXNMVKZ-MRXNPFEDSA-N 408.499 3.030 0 40 HGAB c1csc(-c2nc(NCCN3CCOCC3)ncc2-c2ccc3c(c2)OCO3)c1 72339760 GGQUBCPSVUIVPJ-UHFFFAOYSA-N 410.499 3.345 0 40 HGAB CC(C)NC(=O)c1sc2ccccc2c1[C@@H]1CCN(S(=O)(=O)N2CCCC2)C1 72352228 OCIUVNIWZPBORD-OAHLLOKOSA-N 421.588 3.169 0 40 HGAB Cc1ccn(CCNC(=O)C2(Cc3cccc([C@@H]4CCCN(C)C4)c3)CCOCC2)n1 72372223 HGWRZAKODFSUQD-HSZRJFAPSA-N 424.589 3.156 0 40 HGAB COc1ccc(S(=O)(=O)CCNCc2cc(Cl)c3c(c2)OCCCO3)cc1 72391768 HADMQUNXQLPHJD-UHFFFAOYSA-N 411.907 3.073 0 40 HGAB C[C@@H]1C[C@H]1C(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CN(Cc1cccs1)CC2 72399098 HEYSQBXQKFRBLT-IDHHARJASA-N 412.559 3.099 0 40 HGAB CC(C)C[C@H](C(=O)Nc1ccc(Cn2cncn2)cc1)N1Cc2ccccc2C1=O 80330010 YHUDUZQSSSVXOS-OAQYLSRUSA-N 403.486 3.336 0 40 HGAB C[C@@H](NC(=O)CN1CCC(N2CCn3ccnc3C2)CC1)c1ccc2ccccc2c1 89905130 FRCZSYJKKOOQIY-LJQANCHMSA-N 417.557 3.194 0 40 HGAB C[S@@](=O)Cc1cccc(C(=O)N[C@@H](CC(=O)O)c2ccc(Br)cc2)c1 95463866 MITTVKOSUVYJSK-LMKMVOKYSA-N 424.316 3.273 0 40 HGAB NC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2cc(Cl)ccc2F)CC1 95946960 FLDGGNGDGVCHIE-QGZVFWFLSA-N 410.276 3.117 0 40 HGAB O=C(CC[C@@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O)NCCC1=CCCCC1 96224047 MRLKGOKKRJNMDP-NRFANRHFSA-N 422.529 3.418 0 40 HGAB COc1ccc(OC)c(NC(=O)c2nnn3c2CO[C@@H](c2ccc(Cl)cc2)C3)c1 97161335 OIJFWBKZSWLHMY-GOSISDBHSA-N 414.849 3.473 0 40 HGAB CC[C@H](C(=O)NCc1ccc(Cl)cc1)N(c1ccc(OC)cc1)S(C)(=O)=O 220641628 FTALMIUCJPERLR-GOSISDBHSA-N 410.923 3.210 0 40 HGAB COCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1Cc1ccccn1 223068774 IXNUTOLGSLCZKK-NHCUHLMSSA-N 407.543 3.335 0 40 HGAB COc1ccccc1[C@@H](C)NC(=O)CN(c1cc(Cl)ccc1C)S(C)(=O)=O 223520945 GIVWNKFKORQTSX-CQSZACIVSA-N 410.923 3.300 0 40 HGAB O=C(NCCOCc1ccccc1)c1cccc(NS(=O)(=O)c2ccccc2)c1 224074326 VCHPGVDESIIQAH-UHFFFAOYSA-N 410.495 3.434 0 40 HGAB Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)Nc3ccc(F)c(F)c3)s2)cc1 224159147 BCBVSJWSQVVOAE-UHFFFAOYSA-N 410.427 3.178 0 40 HGAB COc1ccc(C(=O)N2CCC(C(N)=O)CC2)cc1COc1ccc(Cl)cc1 224161377 FGUYVFGXTLCYCF-UHFFFAOYSA-N 402.878 3.265 0 40 HGAB CCOc1ccccc1CCCNS(=O)(=O)c1ccc(Cl)c(C(=O)OC)c1 224675959 ZYFOSPBUITWCSU-UHFFFAOYSA-N 411.907 3.436 0 40 HGAB CCOC(=O)c1cccc(NC(=S)NCc2ccccc2CN2CCOCC2)c1 225778434 LCBCCEDKSVNNNN-UHFFFAOYSA-N 413.543 3.182 0 40 HGAB CCOC(=O)[C@]1(CN)[C@@H](c2ccc(CC)cc2)[C@H]1S(=O)(=O)c1ccc(C)cc1 242473214 FCGSADDHOIRCQG-TUNNFDKTSA-N 401.528 3.005 0 40 HGAB Cc1nc([C@@H]2CCCN(C(=O)C3CCCCC3)C2)nc(C)c1CC(=O)NC(C)C 257211354 BYORDQFGTUEBPI-LJQANCHMSA-N 400.567 3.447 0 40 HGAB CC(C)C(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](CCNC(=O)c4cscn4)OCC[C@@]31C2 257267535 MHRORVWOEGELCG-ZWBQXKGYSA-N 419.591 3.245 0 40 HGAB CC(C)n1nccc1C(=O)N1CCC[C@@](COc2cccc(Cl)c2)(CC(N)=O)C1 257268731 MMXUNABJZNUIBN-OAQYLSRUSA-N 418.925 3.294 0 40 HGAB Cc1ccc(N([C@H](C)C(=O)Nc2nnc(SC(C)C)s2)S(C)(=O)=O)cc1 260793172 GZKZHWYBIOZREY-GFCCVEGCSA-N 414.578 3.140 0 40 HGAB COc1cccc(NC(=O)Cn2cc(C(=O)C(=O)N3CCCC3)c3ccccc32)c1 408573106 SLZVYFDZFNOKEU-UHFFFAOYSA-N 405.454 3.094 0 40 HGAB CCOC(=O)C1CCN(C(=O)C2CCN(Cc3c(F)cccc3Cl)CC2)CC1 408710437 UZLIYGJMUWFYPM-UHFFFAOYSA-N 410.917 3.493 0 40 HGAB NC(=O)Cn1cc(/C=C2\SC(=O)N(CCOc3ccccc3)C2=O)c2ccccc21 409144437 OAQGICLNSSJCQO-UNOMPAQXSA-N 421.478 3.242 0 40 HGAB COc1ccc2[nH]cc(C3CCN(C(=O)[C@@]45[C@@H]6[C@H]7C(=O)[C@H]4[C@@H]4[C@@H]7C[C@@H]6[C@@H]45)CC3)c2c1 503177414 JJCDULWJRQSVDU-CWRRHMPRSA-N 402.494 3.210 0 40 HGAB CCN1CCN(c2ccc(NC(=O)c3c[nH]c4cc(F)c(F)cc4c3=O)cc2)CC1 1618762196 VPTFZRKFEZCHSS-UHFFFAOYSA-N 412.440 3.201 0 40 HGAB CC(C)(C)c1cn2nc(OCC3CCN(C(=O)C4CCOCC4)CC3)ccc2n1 1888855757 GHEJBJKFOYYPOA-UHFFFAOYSA-N 400.523 3.071 0 40 HGAB CCOC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1ccc(OCc2ccccc2)c(OC)c1 703570 CRUHSUVLVMNBSL-HXUWFJFHSA-N 421.457 3.113 0 40 HGAB O=C(NCc1cccnc1)c1nc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 793726 FGBHTXOZJOJWII-UHFFFAOYSA-N 404.377 3.197 0 40 HGAB C[C@@H](NC(=O)CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)c1ccccc1 2618597 WSJMAMCGVPNEKQ-GOSISDBHSA-N 413.477 3.359 0 40 HGAB COc1cccc(-c2nc(S(=O)(=O)c3ccc(C)cc3)c(N3CCOCC3)o2)c1 3285855 ZANLVZJKESKAKY-UHFFFAOYSA-N 414.483 3.328 0 40 HGAB CCc1cccc2c(C(=O)COC(=O)CCc3nc4ccccc4c(=O)[nH]3)c[nH]c12 3441913 TWDWJQXSZVXAJY-UHFFFAOYSA-N 403.438 3.326 0 40 HGAB C[C@H](Sc1nnnn1-c1ccc(Cl)cc1)C(=O)Nc1ccc2c(c1)OCO2 3493075 BRZPHUIBYSBBSX-JTQLQIEISA-N 403.851 3.164 0 40 HGAB C[C@H]1CCC=C2C[C@H]3OC(=O)[C@H](CN4CCC(N5CCCCC5)CC4)[C@H]3[C@H](O)[C@@]21C 4063002 GQWCDWWREXSFDW-RIVFAIMISA-N 416.606 3.222 0 40 HGAB COCCCNC(=S)N(Cc1cccnc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O 4127403 MNDLGHFPSRIBEY-UHFFFAOYSA-N 424.570 3.453 0 40 HGAB Cc1ccccc1OCC(=O)N(Cc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 4183002 PRIBSIHAIZRODB-GOSISDBHSA-N 407.919 3.243 0 40 HGAB COc1ccc(Nc2nc(Nc3ccc(OC)cc3)nc(N3CCOCC3)n2)cc1 4329693 NYMPQKZTVXFXMK-UHFFFAOYSA-N 408.462 3.213 0 40 HGAB CC(C)(C)NC(=O)c1ccc2c(c1)N(CC(=O)NCc1ccccc1)C(=O)C(C)(C)O2 4965734 WJAMTMQEIHGRAH-UHFFFAOYSA-N 423.513 3.035 0 40 HGAB CCOC(=O)c1ccc(NC(=O)c2ccc(N3CCCCS3(=O)=O)cc2)cc1 5099735 KQCMHHDQWKVUNO-UHFFFAOYSA-N 402.472 3.046 0 40 HGAB O=C(COc1cccc(C(=O)NCc2ccccc2)c1)Nc1ccc2c(c1)OCO2 5256574 KWPUOZJDUFDFAW-UHFFFAOYSA-N 404.422 3.363 0 40 HGAB Cc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4C)C(=O)[C@@H]3[C@H]3CCCN23)cc1 5304741 OFZSRVMXIITFEV-YSFYHYPLSA-N 402.494 3.447 0 40 HGAB COc1ccc(C)cc1N(CC(=O)NCc1ccco1)S(=O)(=O)c1ccccc1 5681953 UDNPCGJCCCMEBG-UHFFFAOYSA-N 414.483 3.108 0 40 HGAB COc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 6271406 NHFVKLKTEACIAV-UHFFFAOYSA-N 402.516 3.441 0 40 HGAB CCn1c(SCC(=O)N[C@H](CC(C)C)c2ccccc2)nnc1N1CCOCC1 7789017 AAYOVMLISAPLPZ-GOSISDBHSA-N 417.579 3.130 0 40 HGAB CCC(CC)NC(=O)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 7985157 NVPAIKYVNLSJMA-UHFFFAOYSA-N 406.470 3.411 0 40 HGAB Cc1nc2ccc(NC(=O)CCc3c(C)nc(SCC(N)=O)nc3C)cc2s1 8118143 YUEYEPXZHFRZLN-UHFFFAOYSA-N 415.544 3.160 0 40 HGAB CCCCNS(=O)(=O)c1ccc2[nH]c(SCC(=O)Nc3ccccc3)nc2c1 8686301 YLGZIYIYMFKLCQ-UHFFFAOYSA-N 418.544 3.372 0 40 HGAB Cc1[nH]c(SCC(=O)N2CCN(c3ccccc3O)CC2)nc1Cc1ccccc1 8708186 NELSOJAQBJHENM-UHFFFAOYSA-N 422.554 3.455 0 40 HGAB CCN(c1ccccc1C(=O)O)S(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2C 8715484 LHTQNAZKRNZYCC-UHFFFAOYSA-N 410.451 3.343 0 40 HGAB CCn1c(CNC(=O)c2ccco2)nnc1SCC(=O)Nc1ccc(Cl)cc1 9305387 KWHHWCJNPYHWSE-UHFFFAOYSA-N 419.894 3.205 0 40 HGAB Cc1ccccc1CNC(=O)CN(c1ccc(Cl)cc1Cl)S(C)(=O)=O 9355975 PXXYFHICZXFBNO-UHFFFAOYSA-N 401.315 3.384 0 40 HGAB COc1ccc([C@@H](CNC(=O)N2CCN(c3ccccc3)CC2)N2CCCC2)cc1 9595919 QYJAFNOTEHYFIJ-HSZRJFAPSA-N 408.546 3.364 0 40 HGAB Cc1ccc(NC(=O)C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)c(F)c1 10515549 WUXIUDYGKVCMOA-UHFFFAOYSA-N 422.386 3.446 0 40 HGAB CCCn1c(CN2CCc3c(nc(-c4ccccn4)[nH]c3=O)C2)nc2ccccc21 12120701 XLYLGNBTGDZZPP-UHFFFAOYSA-N 400.486 3.150 0 40 HGAB Cn1cc([C@H](O)CN2CCC(O)(Cn3cnc4ccccc43)CC2)c2ccccc21 12134908 LDQZDEGBXIXXDK-HSZRJFAPSA-N 404.514 3.089 0 40 HGAB Cc1sc2nc(C(C)C)n(C3CCN(CC(=O)NC(C)C)CC3)c(=O)c2c1C 12145446 RESJJBANTLEXRE-UHFFFAOYSA-N 404.580 3.360 0 40 HGAB COc1ccc(F)cc1-c1ccccc1CC1(C(=O)N[C@@H](C)CO)CCOCC1 12220742 DOUWRUVZLLIXJL-INIZCTEOSA-N 401.478 3.338 0 40 HGAB CC[C@@H]1Oc2ccc([C@H](O)c3ccco3)cc2N(CC(=O)NC2CCCCC2)C1=O 12233542 PZCFQHLLRNMFAM-AVRDEDQJSA-N 412.486 3.314 0 40 HGAB Cn1nc([C@H](Cc2ccccc2)NC(=O)Cc2ccc3c(c2)OCO3)c2cccnc21 12236029 VMDCCNFAHDVVKI-IBGZPJMESA-N 414.465 3.340 0 40 HGAB COc1ccccc1OCC(=O)N1CCC(c2nc3ccccc3cc2C(N)=O)CC1 12729030 VRWABXFAKODDLO-UHFFFAOYSA-N 419.481 3.127 0 40 HGAB O=C(NC1CC1)c1ccc(CN(C2CC2)S(=O)(=O)c2ccc(F)c(F)c2)cc1 12738515 MBJALQODNFECOQ-UHFFFAOYSA-N 406.454 3.210 0 40 HGAB Cc1cccc(-c2nn(-c3ccccc3)cc2C(=O)NCCCN2CCOCC2)c1 12754932 JQLJJJXJLMXRDE-UHFFFAOYSA-N 404.514 3.300 0 40 HGAB CC(C)[C@H](C(=O)OCc1nc(-c2ccsc2)no1)N1C(=O)c2ccccc2C1=O 12848238 HLQMKISPBDBHPC-MRXNPFEDSA-N 411.439 3.162 0 40 HGAB CCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 13004332 HPHDGTHQDDPGQC-OAHLLOKOSA-N 415.487 3.231 0 40 HGAB Cc1cc(Br)ccc1NC(=O)CNC(=O)CN1c2ccccc2C[C@H]1C 13039829 XLNZEHVOAOKYMH-CQSZACIVSA-N 416.319 3.263 0 40 HGAB COc1ccc(CCn2c(C)cc(C(=O)COC(=O)c3cnc(C)cn3)c2C)cc1 15179784 SIJSZXCHRKELDR-UHFFFAOYSA-N 407.470 3.494 0 40 HGAB CCOC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1NC(=O)c1ccc(Cl)cc1 15828207 ZGHXDENFBDYHKP-UHFFFAOYSA-N 415.808 3.454 0 40 HGAB C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)/C=C/c3ccc(F)cc3)cc2)C[C@H](C)O1 15916498 ZAGLDGFBWXZKAC-SGIGMUSWSA-N 418.490 3.276 0 40 HGAB CCCS(=O)(=O)N1CCCc2ccc(NC(=O)COc3ccc(OC)cc3)cc21 17286465 ONRBLVCPBRGLEB-UHFFFAOYSA-N 418.515 3.205 0 40 HGAB C[C@@H]1CN(C(=O)c2c[nH]nc2C2CCN(Cc3ccccc3F)CC2)C[C@@H](C)O1 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O=C(c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1)N1CCC[C@@H]1c1cccs1 22699939 QBNCXTFZXCKNFJ-FUHWJXTLSA-N 420.556 3.183 0 40 HGAB O=C1C(=O)N(CN2CCN(Cc3cccc4ccccc34)CC2)c2ccc(F)cc21 22777045 INXZOYBPYRERME-UHFFFAOYSA-N 403.457 3.284 0 40 HGAB O=S(=O)(N[C@H](CN1CCOCC1)c1ccccc1)c1ccccc1C(F)(F)F 24097240 BABLSWDTLFWFHP-QGZVFWFLSA-N 414.449 3.057 0 40 HGAB CCCCCNC(=O)C1CCN(S(=O)(=O)Cc2c(F)cccc2Cl)CC1 24613214 ZQKSUKXLIDNGCQ-UHFFFAOYSA-N 404.935 3.327 0 40 HGAB CCCc1cc(=O)[nH]c(SCC(=O)Nc2nc3c(F)c(F)c(F)cc3s2)n1 25424975 AOFXQKSWBJNXNT-UHFFFAOYSA-N 414.434 3.480 0 40 HGAB CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)Nc1ccc(N(C)C)nc1 30108300 FHUQXLJICXCBGC-MRXNPFEDSA-N 406.939 3.291 0 40 HGAB CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)Nc1ccc(N(C)C)nc1 30108302 FHUQXLJICXCBGC-INIZCTEOSA-N 406.939 3.291 0 40 HGAB O=C(Nc1ccc(N2CCCC2)cc1)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 30605307 AEQCKCDZBMYWJM-SFHVURJKSA-N 413.543 3.326 0 40 HGAB O=C(Cc1csc(NC(=O)Cc2cccs2)n1)NC[C@H]1Cc2ccccc2O1 31117122 XTVRMTXDKIHTFU-OAHLLOKOSA-N 413.524 3.048 0 40 HGAB Cc1ccccc1C(=O)N1CCC(C(=O)NCCn2c(C)nc3ccccc32)CC1 32748196 ZRNSPLSVXZSSIY-UHFFFAOYSA-N 404.514 3.322 0 40 HGAB CC(=O)N[C@H](CC(=O)N1CCC[C@H](c2nnc3n2CCCCC3)C1)c1ccc(C)cc1 32760573 RCBLGIOPVYSOJL-LEWJYISDSA-N 423.561 3.286 0 40 HGAB CCCn1c2ccccc2c2nnc(S[C@H](C)c3nc(N)nc(N(C)C)n3)nc21 32778399 BRDKMPVGSYBREC-LLVKDONJSA-N 409.523 3.076 0 40 HGAB CN(CC(=O)N(C)C1CCCCC1)C(=O)COc1ccc(Br)cc1F 32916038 YGMBPVLDGSMDNL-UHFFFAOYSA-N 415.303 3.217 0 40 HGAB COc1ccc(CCNC(=O)[C@@H]2CC(=O)N(c3cccc(SC)c3)C2)cc1OC 32962407 IYXHLSQNTLJPLT-MRXNPFEDSA-N 414.527 3.138 0 40 HGAB Cc1ccc(S(=O)(=O)NCCc2ccc3c(c2)OCCO3)c(Br)c1 36731032 ZXLUVJPHYWVJCP-UHFFFAOYSA-N 412.305 3.050 0 40 HGAB COc1cc2ncnc(N3CC[C@H](Oc4cnc5ccccc5n4)C3)c2cc1OC 38279846 UBIIFKJMNRPNMT-AWEZNQCLSA-N 403.442 3.248 0 40 HGAB CCn1c(CCNC(=O)c2cccs2)nnc1SCC(=O)Nc1ccccc1 38536832 TZWGUKSGXFVJSF-UHFFFAOYSA-N 415.544 3.063 0 40 HGAB O=C(c1ccc(-c2ccc(F)cc2)o1)N1CCC2(CC1)NC(=O)C1(CCCCC1)N2 40152720 PUTIRFBBOPGWGM-UHFFFAOYSA-N 411.477 3.440 0 40 HGAB CCc1ccc(NC(=O)Cn2ncn3nc(-c4cc(C)ccc4C)cc3c2=O)cc1 51317017 JOTLEWHPWBHHOL-UHFFFAOYSA-N 401.470 3.376 0 40 HGAB O=C(c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1Cl)N1CCOCC1 55650238 MSEIOVUQWXUPJO-UHFFFAOYSA-N 415.298 3.267 0 40 HGAB O=C1CCCN1CCCN1COc2c(Cl)cc3c4c(c(=O)oc3c2C1)CCCC4 57405849 VXELHECFRTYJCT-UHFFFAOYSA-N 416.905 3.490 0 40 HGAB CS(=O)(=O)Nc1cccc(C(=O)NCc2cccc(CN3CCCCCC3)c2)c1 60239229 ACYPJXCDOBJMDU-UHFFFAOYSA-N 415.559 3.364 0 40 HGAB CNc1nc(C2CCN(Cc3ccc(C)cc3OC)CC2)nc2c1CN(C(C)=O)CC2 72372280 XRTNHCRUISGEHQ-UHFFFAOYSA-N 423.561 3.120 0 40 HGAB CC(C)c1nc(CNCCNS(=O)(=O)c2cccc(Cl)c2)c2ccccn12 84630930 OYMVVSZRLZDXEU-UHFFFAOYSA-N 406.939 3.179 0 40 HGAB Cc1ccc(NC(=O)CN2CCN(c3ccc(O)cc3)CC2)c(Br)c1 89610908 ICWPOPTXLCDGOV-UHFFFAOYSA-N 404.308 3.224 0 40 HGAB COc1ccc(CN2CCCN(C(=O)CCc3csc4nc(C)cn34)CC2)cc1 89702091 NRSZGUDRFAERKC-UHFFFAOYSA-N 412.559 3.380 0 40 HGAB Cc1cccc(-c2nn(Cc3ccccc3)cc2CN2CCC[C@H](S(N)(=O)=O)C2)c1 95940870 CCDSPODTESIAGT-QFIPXVFZSA-N 424.570 3.160 0 40 HGAB COc1ccc([C@H]2SCC(=O)Nc3c2c(O)nn3C2CCSCC2)c(OC)c1 96116850 CYWMRHFBEPNAGO-QGZVFWFLSA-N 421.544 3.449 0 40 HGAB CC(C)C(=O)Nc1ccc2[nH]cc([C@H](C(=O)O)N3CCN(c4ccccn4)CC3)c2c1 96736401 AOOMQJJGEZWGER-OAQYLSRUSA-N 421.501 3.105 0 40 HGAB COc1ccc(-c2cc(N3CCN(C(=O)c4ccc(OC)cc4C)CC3)[nH]n2)cc1 98212539 FBCIFCHLJSZCJZ-UHFFFAOYSA-N 406.486 3.365 0 40 HGAB COc1ccccc1-n1c(S)nc2ccc(I)cc2c1=O 100830197 AZRQFKKPKFASCH-UHFFFAOYSA-N 410.236 3.288 0 40 HGAB Cc1cc(Cl)c2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@H]2CCCN21 101409825 UGLPDDLJAMAXJN-PRHHBONVSA-N 421.884 3.080 0 40 HGAB COc1ccccc1C(=O)NC(=O)COC(=O)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2 102412858 JXPBCYZURWVIFN-RKOMNEFPSA-N 405.878 3.073 0 40 HGAB COc1ccccc1N(CCCC(=O)NCc1ccc(Cl)cc1)S(C)(=O)=O 113967714 YZRNCFYNTVTHKJ-UHFFFAOYSA-N 410.923 3.211 0 40 HGAB CC[C@@H](C(=O)Nc1ccccc1C(=O)OC)N(c1cc(C)cc(C)c1)S(C)(=O)=O 220560698 RQEKXYXLCHAULL-IBGZPJMESA-N 418.515 3.273 0 40 HGAB C[C@H](Oc1cccc2c1CCCC2)C(=O)Nc1cccc(N(C)S(C)(=O)=O)c1 222637054 DAOKSDGNUVGWIM-HNNXBMFYSA-N 402.516 3.367 0 40 HGAB COc1ccc2c(c1)CCC[C@@H]2NC(=O)c1cccc(N2CCCCS2(=O)=O)c1 224392422 FRAWZCXFVZZOAX-NRFANRHFSA-N 414.527 3.433 0 40 HGAB O=C(Cc1cccc(C(F)(F)F)c1)N1CCN(c2cc3c(nn2)CCCC3)CC1 225791408 DUIWYSVIYPAZMJ-UHFFFAOYSA-N 404.436 3.266 0 40 HGAB COc1cccc(O[C@H]2CCN(C(=O)COc3ccccc3Cl)CC[C@@H]2O)c1 257199714 AAOWMXGPXARKHM-ICSRJNTNSA-N 405.878 3.158 0 40 HGAB CC(C)c1cc(C(=O)N2CC[C@H](Oc3cccc(Cl)c3)[C@@H](CC(N)=O)C2)on1 257320178 VVQRYQINZHMYRS-GUYCJALGSA-N 405.882 3.237 0 40 HGAB O=C(N[C@H]1C(=O)N/[N+](=C\c2ccccc2)[C@H]1c1ccccc1)c1ccc(Cl)cc1 409061220 BZSUVPMUOCJDBU-NAGXTHEASA-O 404.877 3.356 0 40 HGAB Cc1ccccc1/C=[N+]1\NC(=O)[C@H](NC(=O)c2ccc(F)cc2)[C@@H]1c1ccccc1 409062310 RMXPIMUBOBJMOX-WXUIRWOTSA-O 402.449 3.150 0 40 HGAB CCOCCCNC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 409138902 JMVDEPPKWZOLAY-UHFFFAOYSA-N 410.923 3.078 0 40 HGAB O=C(COC(=O)c1cccc(N2C(=O)C=CC2=O)c1)Nc1cc(Cl)ccc1Cl 409226538 UPTMKQQTUOYMHH-UHFFFAOYSA-N 419.220 3.218 0 40 HGAB Cc1noc(C)c1CCC(=O)N1CC[C@@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@@H]21 1889136059 SXBICTRMXKTSPT-PBHICJAKSA-N 408.424 3.375 0 40 HGAB Cc1c(CNC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@@H](c2ccco2)N3)cnn1C 884620 HIAKPHWWWSXXND-WFASDCNBSA-N 408.384 3.108 0 40 HGAB COc1cc(/C=C2\N=C(c3ccc(Br)o3)OC2=O)cc(OC)c1OC 994422 VXUMKDNERXSAKO-POHAHGRESA-N 408.204 3.412 0 40 HGAB Cc1nc(N)n2c(SCC(=O)Nc3ccc(F)cc3)nnc2c1Cc1ccccc1 1331371 ZZLQDABLNSQYEJ-UHFFFAOYSA-N 422.489 3.476 0 40 HGAB CCc1ccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)Nc2ccc(Cl)cc2)cc1 2217555 IQRXJIGWWVRUCV-GOSISDBHSA-N 414.893 3.264 0 40 HGAB CCOc1ccc([C@H]2C(C(=O)OCCOC)=C(C)N=C3S[C@@H](CC)C(=O)N32)cc1 2487365 UJTKJIPUZHKVAK-WMZOPIPTSA-N 418.515 3.314 0 40 HGAB COc1ccc(NC(=O)[C@@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)cc1OC 3297578 HEFRUSVOTSBPHR-GOSISDBHSA-N 420.531 3.344 0 40 HGAB O=C1C[C@H](n2nc(COc3ccccc3)n(-c3ccccc3)c2=S)[C@@H]2CO[C@H]1O2 4117370 FBIOLMDPKYLULT-QRFRQXIXSA-N 409.467 3.238 0 40 HGAB COc1ccc(OC)c(NC(=O)C2=C(C)Nc3ncnn3[C@H]2c2ccc(F)cc2)c1 4384712 ZHXVLNGPOLHKKL-IBGZPJMESA-N 409.421 3.362 0 40 HGAB Cc1c(Cl)cccc1NC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1 4570122 OJZWSCNUOBORJR-UHFFFAOYSA-N 408.907 3.450 0 40 HGAB CCOC(=O)CN1C(=O)S/C(=C\c2ccc(-c3ccccc3C(=O)OC)o2)C1=O 4694792 RBPRGLXCWZONMK-YBEGLDIGSA-N 415.423 3.333 0 40 HGAB CCCCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2OC)C1 4813856 QWNKXLDXEBUZOB-CQSZACIVSA-N 402.944 3.056 0 40 HGAB CC(C)CCNC(=O)CN(C(=O)CCC(=O)Nc1nccs1)c1ccc(F)cc1 4848406 GRXGRMHWVBEEGU-UHFFFAOYSA-N 420.510 3.196 0 40 HGAB CCOCCc1nnc(NC(=O)[C@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C2)s1 4975679 XLMWJTYSMWBPSZ-LBPRGKRZSA-N 408.911 3.071 0 40 HGAB CC(=O)Nc1ccc(S(=O)(=O)NCC2CCN(CC3CCCCC3)CC2)cc1 5001941 UONQEGHCWCIJPA-UHFFFAOYSA-N 407.580 3.216 0 40 HGAB CC(C)(C)OC(=O)[C@@H](CC(N)=O)NC(=O)OCC1c2ccccc2-c2ccccc21 5383682 LXTHDMGKTOELQD-LJQANCHMSA-N 410.470 3.111 0 40 HGAB CC[C@H]1CCc2sc(-c3nnc(S[C@@H](C(=O)NC(N)=O)C(C)C)n3C)cc2C1 5776388 IVQJXMOIPSOYAD-XHDPSFHLSA-N 421.592 3.370 0 40 HGAB CCOC(=O)c1c(NC(=O)COc2ccccc2C)sc(C(=O)N(C)C)c1C 5866036 MOKCWODXPNNABV-UHFFFAOYSA-N 404.488 3.261 0 40 HGAB CCCCC(=O)Nc1nnc(S(=O)(=O)N(C)Cc2ccc(Cl)cc2)s1 6996640 QZNNYFSZPBNPBH-UHFFFAOYSA-N 402.929 3.141 0 40 HGAB C[C@@H](Sc1nnc(-c2ccco2)o1)C(=O)Nc1sc2c(c1C(N)=O)CCC2 7357782 NGDZDHYDPDPQPV-MRVPVSSYSA-N 404.473 3.098 0 40 HGAB CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)Cc1ncc(-c2ccccc2)o1 7493770 KZUPFVBFYGAJSF-UHFFFAOYSA-N 406.486 3.249 0 40 HGAB C[C@@H](NC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)c1ccc2c(c1)CCCC2 7821878 VGFFZTPYAFJSIP-CPJLOUKISA-N 417.509 3.136 0 40 HGAB O=S(=O)(c1ccc(C2=NN=C(NC3CCCC3)SC2)cc1)N1CCCCC1 8133077 YPNAAPGVKLRRAZ-UHFFFAOYSA-N 406.577 3.200 0 40 HGAB COc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)cc1O 8163618 YJJZYYVOWWYKBM-LZYBPNLTSA-N 402.403 3.215 0 40 HGAB O=C(NCc1ccco1)c1ccc(Cl)c(S(=O)(=O)NCc2ccccc2)c1 8180783 JQCAVVMTRXKOMQ-UHFFFAOYSA-N 404.875 3.342 0 40 HGAB CCn1nnc2cc(C(=O)N(C)CC(=O)Nc3ccccc3C(F)(F)F)ccc21 8411001 UPIXOLKIWPHHER-UHFFFAOYSA-N 405.380 3.181 0 40 HGAB COc1ccc(OC)c(NC(=O)COC(=O)CCC(=O)Nc2ccc(C)cc2C)c1 8414517 RATBGJRXJFLYOP-UHFFFAOYSA-N 414.458 3.221 0 40 HGAB Cc1cccc(N2C(=O)N(c3cccc(Br)c3)[C@@H]3CS(=O)(=O)C[C@@H]32)c1 8828031 KWNCWKOSRRULPN-DLBZAZTESA-N 421.316 3.370 0 40 HGAB CCN(C[C@@H]1COc2ccccc2O1)C(=O)CSc1nc(-c2cccs2)n[nH]1 8850244 MNOBINFIEQNTOH-CYBMUJFWSA-N 416.528 3.314 0 40 HGAB O=C(Cn1cc(S(=O)(=O)c2ccccc2)c2ccccc21)NCc1cccnc1 8865151 VYEXUOJKADOXIQ-UHFFFAOYSA-N 405.479 3.186 0 40 HGAB CCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)CN(C(=O)C2CC2)CC3)cc1 8977381 OQCYPLFCRALIEK-UHFFFAOYSA-N 400.500 3.181 0 40 HGAB COc1ccc(OC)c2sc(N(C[C@@H]3CCCO3)C(=O)c3cc(C)n(C)n3)nc12 9122315 HITZASJEIUSZFK-ZDUSSCGKSA-N 416.503 3.181 0 40 HGAB Cc1ccc(F)cc1NC(=O)CNc1cccc(S(=O)(=O)N2CCCCC2)c1 9379304 KFWOJWKNTKPDBE-UHFFFAOYSA-N 405.495 3.359 0 40 HGAB O=C(NCCCn1cnc2ccccc21)C1CCN(C(=O)/C=C/c2ccccc2)CC1 9416905 KSUVOHBFOTZBOK-VAWYXSNFSA-N 416.525 3.495 0 40 HGAB COc1cc(-c2nn3c(=O)c(-c4ccc(C)cc4)nnc3s2)cc(OC)c1OC 9575886 HCDVUDUHOJUJDV-UHFFFAOYSA-N 410.455 3.214 0 40 HGAB CC(=O)Nc1cccc(NC(=O)CSc2nnc(NC(=O)NC(C)(C)C)s2)c1 9743998 HHIZZPIOHHBXIB-UHFFFAOYSA-N 422.536 3.147 0 40 HGAB CCC[C@@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(OC)c(Cl)c2)C1 9974707 LXWQQFZYWYGZRN-KGLIPLIRSA-N 402.944 3.054 0 40 HGAB CCN(c1ccc(OCC(=O)Nc2cc(Cl)ccc2OC)cc1)S(C)(=O)=O 10010018 ZKIURWLYOUOTRH-UHFFFAOYSA-N 412.895 3.152 0 40 HGAB COCCOc1cc(NS(=O)(=O)c2ccc(C(C)C)cc2)c(C(=O)O)cc1OC 10511973 HTSJOXNJHHOFOH-UHFFFAOYSA-N 423.487 3.343 0 40 HGAB C[C@@H](OC(=O)c1ccccc1I)c1nc2ccccc2c(=O)[nH]1 11439792 ZZASQEMCWZJCOP-SNVBAGLBSA-N 420.206 3.446 0 40 HGAB C[C@@H]1CCC[C@@H](C)N1C(=O)CN1C(=O)COc2ccc(C(=O)c3cccs3)cc21 12239733 DFKGQMLCNDEFJS-HUUCEWRRSA-N 412.511 3.494 0 40 HGAB O=C(COc1ccccc1F)N1CCC(c2nc(O)cc(-c3ccccn3)n2)CC1 12256432 QQBFTXYDWXLVIP-UHFFFAOYSA-N 408.433 3.168 0 40 HGAB COc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)N3CCC[C@@H](C)C3)cc2c1 12469305 TUBPMSNWVCYLKJ-QVKFZJNVSA-N 422.533 3.460 0 40 HGAB COc1ccc2[nH]c(=O)c(CN(CCN(C)C)C(=S)NC3CCCCC3)cc2c1 12709939 XZMPAIJUAHTVPS-UHFFFAOYSA-N 416.591 3.108 0 40 HGAB CC[C@H]1CCc2sc(C(=O)Nc3ccc(C(=O)NCC(=O)OC)cc3)cc2C1 12774270 JRFRLQTVFPXBLM-ZDUSSCGKSA-N 400.500 3.418 0 40 HGAB COc1cc(NC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc(OC)c1 12775752 JPFBUAYIQRYPPP-UHFFFAOYSA-N 413.499 3.452 0 40 HGAB O=S(=O)(Nc1ccc(Nc2ccc(-n3cccn3)nn2)cc1)c1ccc(F)cc1 13009958 IPZSEFHMDCQAFC-UHFFFAOYSA-N 410.434 3.346 0 40 HGAB O=S1(=O)N[C@H](C2CCN(Cc3ccc4ncccc4c3)CC2)Nc2ccccc21 13267400 VTKUWOFTUAJLEI-JOCHJYFZSA-N 408.527 3.177 0 40 HGAB O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)C12CC3C[C@H](CC[C@H](C3)C1)C2 16778753 HGFPVKWYWMJRGW-RPIYSHSISA-N 418.559 3.253 0 40 HGAB Cc1noc(C)c1COc1cccc(C(=O)OCc2nnnn2-c2ccccc2)c1 17665041 GSBQRWTXWLAZDU-UHFFFAOYSA-N 405.414 3.203 0 40 HGAB CCC(CC)C(=O)N1CCO[C@](Cc2ccc(-c3ccncc3)cc2)(C(=O)N(C)C)C1 19500216 KPRMWMKUHZYJLX-VWLOTQADSA-N 423.557 3.413 0 40 HGAB CCn1cc(S(=O)(=O)N2CCC[C@@H](c3nnc(-c4ccc(C)s4)o3)C2)c(C)n1 19524635 GXTFQBVDDTXPKC-CQSZACIVSA-N 421.548 3.200 0 40 HGAB CC(C)(C)[C@@H]1CCc2[nH]nc(C(=O)Nc3ccc(N4CCCS4(=O)=O)cc3)c2C1 19655075 KORQXDGPJMKOMA-CQSZACIVSA-N 416.547 3.353 0 40 HGAB Nc1n[nH]c2nc([C@H]3CCCN3CC(=O)Nc3ccccc3F)cc(C(F)(F)F)c12 19742529 JAODCSUIAVGYKJ-CQSZACIVSA-N 422.386 3.474 0 40 HGAB CCCOc1ccccc1CCCNC(=O)CN(c1cccc(C)c1)S(C)(=O)=O 22327424 QNUXNDNNAAXYHH-UHFFFAOYSA-N 418.559 3.299 0 40 HGAB C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)Nc1ccccc1N1CCCC1)C2=O 22639724 JHJMLOLADXWIDM-QMHKHESXSA-N 412.534 3.362 0 40 HGAB O=S(=O)(c1ccc(F)cc1F)N1CCN(Cc2cccc3cccnc23)CC1 24292896 HEUMYLUCTMLXOM-UHFFFAOYSA-N 403.454 3.020 0 40 HGAB Cc1c(C(=O)OCCOc2ccc(S(=O)(=O)N(C)C)cc2)oc2ccccc12 25048036 LIZVFRJMJMXQIV-UHFFFAOYSA-N 403.456 3.227 0 40 HGAB Cc1nn(CC(C)C)c(C)c1CCC(=O)NCC1(N2CCOCC2)CCCCC1 27502328 UJJRYYBQLDINBK-UHFFFAOYSA-N 404.599 3.240 0 40 HGAB CNC(=O)c1cc2cc(N(C)S(=O)(=O)c3ccc(OC)c(OC)c3)ccc2s1 28208868 FZDLLNRYQBDCBB-UHFFFAOYSA-N 420.512 3.103 0 40 HGAB C[C@@H]1Cc2ccccc2N1C(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1 31662639 SWLBQZSYWOXKML-CYBMUJFWSA-N 423.332 3.047 0 40 HGAB COc1ccc([C@@H]2c3cc4c(cc3O[C@H](N3CCOCC3)[C@H]2C)OCO4)c(OC)c1 31860805 NJSSNAKBDXXDTB-SBQFXOPASA-N 413.470 3.251 0 40 HGAB O=C(NCc1ccccc1S(=O)(=O)N1CCCCC1)N[C@@H]1CCCc2occc21 32803501 MBKFLNGCSZNDDX-GOSISDBHSA-N 417.531 3.331 0 40 HGAB COc1ccc(C)cc1[C@H](C)NC(=O)c1cc(S(=O)(=O)NC2CC2)ccc1C 32868823 ZTRBZTWWLQKQRP-HNNXBMFYSA-N 402.516 3.244 0 40 HGAB Cc1cc2n(CC(=O)Nc3cc4c(cc3Cl)OCCO4)c(=O)c3ccccc3n2n1 32909170 HVUZWEADZNATNN-UHFFFAOYSA-N 424.844 3.021 0 40 HGAB NC(=O)[C@@H](Sc1nnc2n(C3CC3)c(-c3ccccc3)nn12)c1ccc(F)cc1 32925504 SFMWDMBFHLMCEW-INIZCTEOSA-N 408.462 3.386 0 40 HGAB CC(C)(C)NC(=O)[C@H](c1cccnc1)N(C(=O)[C@H]1CSC(=O)C1)C1CCCC1 35313984 BPJLGLQYWWCGNK-QAPCUYQASA-N 403.548 3.088 0 40 HGAB Cc1nn(C(F)F)c(C)c1S(=O)(=O)N(CCc1ccccc1)Cc1ccn(C)n1 36615037 HWVYJBSDQNBUME-UHFFFAOYSA-N 423.489 3.062 0 40 HGAB CC(C)(C)c1ccc(S(=O)(=O)NCCN2CCO[C@H](c3ccccc3)C2)cc1 36700117 CSBVVNWGDILIEW-NRFANRHFSA-N 402.560 3.336 0 40 HGAB Cc1cccc(CS(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)c1 38755050 IEMWYQHWUBOXRP-UHFFFAOYSA-N 417.512 3.133 0 40 HGAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(NS(C)(=O)=O)c(Cl)c1 44947857 VGEDTDPOHHYPGY-GFCCVEGCSA-N 423.922 3.492 0 40 HGAB CCN(Cc1ccc(Cl)s1)C(=O)NCc1ccnc(N2CCN(C)CC2)c1 45846374 WIRHQUJDQFLZGC-UHFFFAOYSA-N 407.971 3.280 0 40 HGAB Cc1ccc(OCc2nc(C(=O)N[C@@H]3CCCN(c4ncccn4)C3)cs2)cc1 46424599 WAMAWUOJNGRZFD-MRXNPFEDSA-N 409.515 3.219 0 40 HGAB C[C@H](OC(=O)c1cc(S(=O)(=O)N2CCCCC2)cn1C)c1ccc(F)cc1F 50069539 QKLQCAGQUARUMC-ZDUSSCGKSA-N 412.458 3.396 0 40 HGAB C[C@H]1CCCN(S(=O)(=O)NC2CCN(Cc3cccc(C(F)(F)F)c3)CC2)C1 56124619 SPMJJODZROVYCG-HNNXBMFYSA-N 419.513 3.236 0 40 HGAB C[C@H](NC(=O)Nc1ccccc1N1CCCCC1)c1ccc(S(N)(=O)=O)cc1 57848403 LFPWAQSVVAGDPY-HNNXBMFYSA-N 402.520 3.207 0 40 HGAB O=C(Nc1cccc(I)c1)[C@H]1CCCN1C(=O)c1ccco1 69834576 WAKQBBXTTHKVKC-CYBMUJFWSA-N 410.211 3.128 0 40 HGAB O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]21)NC1(c2ccc(F)cc2)CCCC1 72346512 HQOVSXMDUKMUBF-ZIFCJYIRSA-N 405.539 3.437 0 40 HGAB CC(=O)N1Cc2cc(C)ccc2OC2(CCN(Cc3ccc(OCCO)cc3)CC2)C1 72394417 GDXPRMHNJFYHCP-UHFFFAOYSA-N 424.541 3.142 0 40 HGAB C[C@H](NC(=O)N1CCN(c2ccc(Cl)cc2)CC1)C(=O)Nc1ccccc1F 72404471 YYUOMFRVWSLWAP-AWEZNQCLSA-N 404.873 3.338 0 40 HGAB O=C(CCS(=O)(=O)c1ccccc1)N1CCC(COCc2ccc(F)cc2)CC1 77191527 NZVLRHMIUHJRCT-UHFFFAOYSA-N 419.518 3.445 0 40 HGAB Cc1csc(-c2ccc(C(=O)Nc3cccc(CN4C(=O)CNC4=O)c3)cc2)n1 84271389 KJWPICTUKYLIKH-UHFFFAOYSA-N 406.467 3.423 0 40 HGAB O=C(Nc1ccn(Cc2ccccn2)n1)c1c(F)cccc1I 84610187 PIABXTIJNBRFMV-UHFFFAOYSA-N 422.201 3.322 0 40 HGAB COC(=O)c1cccc(NC2CCN(C(=O)Cc3cn4cccc(C)c4n3)CC2)c1 89700360 IMRRHTGLYVCNKU-UHFFFAOYSA-N 406.486 3.075 0 40 HGAB CO[C@@]12CC[C@]3(C[C@@H]1[C@@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1)[C@@H]2O5 95868360 YOYLLRBMGQRFTN-ZCXKYXFVSA-N 413.558 3.291 0 40 HGAB CC(C)c1ccc(S(=O)(=O)N2CC[C@@]3(CCCN(c4ncccn4)C3)C2)cc1 96216923 NGPXRCDDFJSDQK-OAQYLSRUSA-N 400.548 3.281 0 40 HGAB COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl 100390038 MDHHRPHYYRMIPH-ADDJPNFYSA-N 416.899 3.410 0 40 HGAB Cc1ccc(CSCCNC(=O)[C@H](C)N(c2ccccc2F)S(C)(=O)=O)cc1 220298069 XSLNKSOPUPZPLS-INIZCTEOSA-N 424.563 3.338 0 40 HGAB CN(Cc1ccccc1F)C(=O)COc1ccc(S(=O)(=O)NC2CCCC2)cc1 222647445 KHULVSOKFPHHPG-UHFFFAOYSA-N 420.506 3.084 0 40 HGAB CCN(CC)S(=O)(=O)c1cc(C(=O)N(C)c2cccc(OC)c2)ccc1OC 222925373 GRQUPFYBYOSROI-UHFFFAOYSA-N 406.504 3.011 0 40 HGAB COc1ccccc1OC[C@@H](C)NS(=O)(=O)c1cc2c(cc1OC)CCCC2 223075443 ZBHGXTDDRMLRMW-OAHLLOKOSA-N 405.516 3.328 0 40 HGAB Cc1ccc(C(=O)NCCOc2ccc(Cl)cc2)cc1S(=O)(=O)N1CCCC1 224022503 NKLGXPQSOVTXCK-UHFFFAOYSA-N 422.934 3.242 0 40 HGAB CCOc1ccc(N(CCCC(=O)NCCc2ccc(F)cc2)S(C)(=O)=O)cc1 224702579 FHAFXDQWKGYOML-UHFFFAOYSA-N 422.522 3.130 0 40 HGAB CCOc1ccc(C(=O)N2CCCC2)cc1CN(C)S(=O)(=O)c1ccccc1 224815778 FHSMKIGTXJYYCG-UHFFFAOYSA-N 402.516 3.142 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=S)NC1CCCCCC1 225209178 SQIBTMBXPGMILU-UHFFFAOYSA-N 411.593 3.489 0 40 HGAB COc1cc(NC(=S)NC2CCN(Cc3ccccn3)CC2)cc(OC)c1OC 225231948 XCEGYJLZWSTHIR-UHFFFAOYSA-N 416.547 3.058 0 40 HGAB COc1ccc(C2(C(=O)N3CCN(C)[C@H](c4ccccc4OC)C3)CCOCC2)cc1 257298011 RJSVVXDDMVOKIC-QFIPXVFZSA-N 424.541 3.267 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCCc3ccc(F)cc3)C2)cc1 260895179 HCVLEENRRPQQTF-IBGZPJMESA-N 418.534 3.284 0 40 HGAB Cc1ccc(C(=O)N2CCN(C)[C@@H](c3ncn4cc(-c5cccnc5)ccc34)C2)o1 306127668 GEMRQTIXLQBVBQ-HXUWFJFHSA-N 401.470 3.427 0 40 HGAB Cc1ccc(C)c(N2C[C@H](C(=O)Oc3cccc(N4C(=O)CCCC4=O)c3)CC2=O)c1 408639926 HMZPCHPFPQCMLK-QGZVFWFLSA-N 420.465 3.305 0 40 HGAB CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(Br)ccc2OC)C1=O 409016780 VRRXGSVIGLMFQE-ITTMYVLYSA-N 414.277 3.446 0 40 HGAB O=C(O)C[C@@H](NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1)c1ccccc1 507071512 VEDPGIYGGZUJQL-HXUWFJFHSA-N 424.478 3.433 0 40 HGAB CCOC(=O)C1=C(N)Oc2c(ccc3cccnc23)[C@]12C(=O)N(CC)c1ccccc12 524734230 LHHKKHYWFBEFJF-DEOSSOPVSA-N 415.449 3.013 0 40 HGAB O=C(c1ccc(C(F)(F)F)nc1)N1CCC[C@H](n2cnc3ccccc3c2=O)C1 575618229 UIASUKPRLZAIFS-AWEZNQCLSA-N 402.376 3.288 0 40 HGAB O=C(Cn1cccn1)N1CCOCCOc2ccc(F)cc2Cc2cccc(c2)C1 643582258 YMQKFYZBSGTLRJ-UHFFFAOYSA-N 409.461 3.051 0 40 HGAB O=C(Nc1nnc(NS(=O)(=O)c2ccccc2)s1)[C@@H]1CCc2cc(F)ccc21 1182401551 VXBNSMIWYQAMHY-OAHLLOKOSA-N 418.475 3.147 0 40 HGAB CO[C@@H]1CCN2C[C@@H]1CCCCN(C1CCOCC1)CCOc1cccc(c1)C2=O 2037981051 SBONOAJXUPPCRJ-NZQKXSOJSA-N 416.562 3.207 0 40 HGAB CCC(CC)NC(=O)[C@H]1C[C@@]2(CO1)CN(Cc1cccc(C(F)(F)F)c1)CCO2 2056225063 AGUALROGFFEIFR-QUCCMNQESA-N 414.468 3.370 0 40 HGAB COc1ccccc1NC(=O)c1nnn(Cc2ccccc2)c1NC(=O)C(F)(F)F 1078050 RCMLFFCNAARCCW-UHFFFAOYSA-N 419.363 3.088 0 40 HGAB CC1(C)Cc2c(c(N3CCOCC3)nc3sc4c(c23)N=CN2CCCN=C42)CO1 2262784 NVELJHCHJCJCDY-UHFFFAOYSA-N 411.531 3.110 0 40 HGAB CC(=O)c1cccc(NC(=O)[C@H](C)OC(=O)[C@@H]2CCCN2C(=O)c2cccs2)c1 2652367 ZUJSENOEPNWTCH-YOEHRIQHSA-N 414.483 3.126 0 40 HGAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Nc2cc(NC(C)=O)ccc2OC)c1C 3379531 RZESEXSFOOSTOA-ZDUSSCGKSA-N 401.463 3.459 0 40 HGAB COCCNC(=O)CSc1nnc(-c2ccncc2)n1-c1cccc(Cl)c1C 3477086 LCYVBTLMHFCWOG-UHFFFAOYSA-N 417.922 3.146 0 40 HGAB O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)Nc1cccc(Cl)c1Cl 3594925 WJZOJAFPWKKWOW-IBGZPJMESA-N 404.253 3.325 0 40 HGAB COCCn1c(CCc2ccccc2)nnc1SCC(=O)N1CCCC[C@H]1C 4419093 KGKIDOJJZINCKQ-QGZVFWFLSA-N 402.564 3.203 0 40 HGAB CC(C)(C)NC(=O)Nc1nnc(SCC(=O)Nc2ccc(F)cc2F)s1 4851537 KRXBSERTCBZTRK-UHFFFAOYSA-N 401.464 3.467 0 40 HGAB COc1ccc(-c2noc(CNC(=O)COc3ccc(Cl)cc3C)n2)cc1OC 4943704 IAHIYQWRUGGZKF-UHFFFAOYSA-N 417.849 3.411 0 40 HGAB CC(=O)Nc1ccc(NC(=O)[C@@H](C)OC(=O)c2c(NC(C)=O)sc(C)c2C)cc1 5326563 MBXNCJBSCXFXGY-LLVKDONJSA-N 417.487 3.466 0 40 HGAB COc1cc(N)c(Cl)cc1C(=O)OCc1nc(N)nc(Nc2ccccc2C)n1 5621737 GWRBCNUZCXBRGY-UHFFFAOYSA-N 414.853 3.107 0 40 HGAB Cc1cc(C)c(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c(Cl)c1 6549637 LMFBWBUUDFUDQZ-UHFFFAOYSA-N 408.907 3.230 0 40 HGAB COc1cc(C(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)cc(OC)c1C 6841410 FHXOLYVNKJZALM-UHFFFAOYSA-N 404.488 3.049 0 40 HGAB Cc1nc2ccc(N[C@H](C)C(=O)Nc3cccc(S(=O)(=O)N(C)C)c3)cc2s1 7242181 PCFKCXLYSCCISF-GFCCVEGCSA-N 418.544 3.294 0 40 HGAB COc1cccc(N2CCN(C(=O)C3CCN(C(=O)Nc4ccccc4)CC3)CC2)c1 8026565 LULIFZMYGRQQTK-UHFFFAOYSA-N 422.529 3.288 0 40 HGAB CCCCn1nnnc1CSc1nnc([C@H](C)N(C)C)n1-c1ccc(F)cc1 9219115 URTMFJUVHLENEI-ZDUSSCGKSA-N 404.519 3.108 0 40 HGAB CC(C)[C@@H](NS(=O)(=O)c1c(Cl)cccc1Cl)C(=O)NCc1ccccn1 9220364 BWFQGSPLGJQDLX-OAHLLOKOSA-N 416.330 3.008 0 40 HGAB CCOC(=O)c1c(NC(=O)CNc2cccc(C)c2C)sc(C(=O)NC)c1C 9339091 KHEMXBCMDYZPHL-UHFFFAOYSA-N 403.504 3.260 0 40 HGAB CN(Cc1ccccc1)S(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2)s1 9405064 AWNAMICNAUYRTC-UHFFFAOYSA-N 422.919 3.265 0 40 HGAB CC(C)(C)NCC(=O)Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl 9762731 UPSGBGLSYRFQLR-UHFFFAOYSA-N 401.960 3.231 0 40 HGAB CCCCc1c(O)nc(S[C@@H]2CC(=O)N(c3cc(Cl)ccc3C)C2=O)[nH]c1=O 10035261 FJSABLBBCFMOKW-CQSZACIVSA-N 421.906 3.204 0 40 HGAB O=C1NC2(CCN(C(=O)CCc3cc(Cl)no3)CC2)Nc2ccc(Cl)cc21 12146347 GBLDLZUZVNDCIF-UHFFFAOYSA-N 409.273 3.088 0 40 HGAB O=C(NCc1ccc(N2CCOCC2)nc1)c1ccccc1SC[C@H]1CCCO1 12225034 OTBPSZNWJIQFPV-GOSISDBHSA-N 413.543 3.119 0 40 HGAB CCc1ccc(OCC(=O)NCc2ccc(-c3nn4c(C)nnc4s3)cc2)cc1 12650887 TZOWPIZMJKZIQP-UHFFFAOYSA-N 407.499 3.419 0 40 HGAB O=C(NCCc1cccs1)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 12776816 QLFPXNSPCMOTGA-CQSZACIVSA-N 412.964 3.161 0 40 HGAB Cc1cccc(-c2nnc(S[C@@H](C(N)=O)c3ccc(F)cc3)n2CCC(=O)O)c1 12779066 KSWOGTCNQYSMOF-QGZVFWFLSA-N 414.462 3.186 0 40 HGAB C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1O 12784204 RRUATGFZNAAORQ-ZDUSSCGKSA-N 424.906 3.236 0 40 HGAB CNS(=O)(=O)Cc1ccc(CNC(=O)c2cc(C(C)C)nc3ccccc23)cc1 12996257 LULXEXHYVLYGQI-UHFFFAOYSA-N 411.527 3.337 0 40 HGAB O=C(CN1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)NCc1ccccc1 13058092 XXDKLUREDCBXRZ-UHFFFAOYSA-N 412.843 3.192 0 40 HGAB O=C(c1ccc2c(c1)OCO2)N1CCC[C@@H]1Cn1nc(-c2cccs2)ccc1=O 13266497 RCYKYULRARIMDN-OAHLLOKOSA-N 409.467 3.005 0 40 HGAB C[C@H]1Cc2ccccc2N1C(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O 13612179 SYQQNBYHRJCYPY-ZDUSSCGKSA-N 423.332 3.193 0 40 HGAB CCOC(=O)/C=C1\SCC(=O)N1CCSC1=Nc2ccccc2[C@H]2CC=NN12 14198647 NDNNEHQMFDZWLG-QJISPJEISA-N 416.528 3.133 0 40 HGAB Cc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)NCCc1c[nH]c2ccccc12 14898417 UQZVIEFYTHMOTR-UHFFFAOYSA-N 416.407 3.143 0 40 HGAB Cc1oc(-c2ccccc2)nc1Cn1c(=O)n(C[C@@H]2CCCO2)c(=O)c2ccccc21 15829300 CLDZOKTVYVOOMH-SFHVURJKSA-N 417.465 3.354 0 40 HGAB Cc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)cc1 18212535 NGDYAEWQAUJPMT-QGZVFWFLSA-N 400.544 3.372 0 40 HGAB O=C(CN1CCN(c2nccs2)CC1)N1c2ccccc2S[C@H]2C=CC=C[C@@H]21 19375606 KDZMIGQIEUDVIF-WMZOPIPTSA-N 410.568 3.267 0 40 HGAB C[C@H]1C[C@H]1C(=O)N1CCC(c2cc3nc4c(c(O)n3n2)CN(C2CCCC2)CC4)CC1 19462888 YQJGKCSOWGUEQK-MAUKXSAKSA-N 423.561 3.098 0 40 HGAB COc1cccc(-c2cc(-c3cccnc3)nn2CCNC(=O)C[C@@H]2CCCO2)c1 19566596 KXEPADFCRRNKOR-FQEVSTJZSA-N 406.486 3.306 0 40 HGAB COc1ccc(CN2CCC(O)(Cn3ccnc3C)CC2)cc1Cc1c(C)noc1C 19581011 AFUNPNYPUZRMMR-UHFFFAOYSA-N 424.545 3.423 0 40 HGAB Cc1[nH]c2c(C)ccc(C)c2c(=O)c1CN1CCN(Cc2ccc3c(c2)OCO3)CC1 19793601 CJCZHBKCXXEIHP-UHFFFAOYSA-N 419.525 3.500 0 40 HGAB CCOc1ccccc1NC(=O)C[C@H]1C(=O)N(CCCOC)c2nc3ccccc3n21 20103420 KPQFVVFRFAKCBK-IBGZPJMESA-N 422.485 3.388 0 40 HGAB COc1ccc(Cl)cc1C(=O)NC(=S)Nc1ccc(CN2CCOCC2)cc1 20191657 LWFZWCHWKZQVKC-UHFFFAOYSA-N 419.934 3.308 0 40 HGAB O=C(CN1CCN(CC(F)(F)F)CC1)c1ccc(NC(=O)c2ccccc2)cc1 22804767 VOWXGCABJHDUAS-UHFFFAOYSA-N 405.420 3.302 0 40 HGAB O=C(Nc1ccc(F)c(F)c1)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1 24612903 JYBYSSPPVHSKGI-UHFFFAOYSA-N 412.433 3.284 0 40 HGAB CCOC(=O)c1ccc(OC[C@@H](O)CN(C)Cc2nc3ccccc3s2)cc1 25233644 ALNMCKIJKAVDIT-INIZCTEOSA-N 400.500 3.345 0 40 HGAB CNC(=O)CN1c2ccccc2C(=O)N(C)[C@@H]1c1c[nH]nc1-c1ccc(Cl)cc1 28924601 MXGYUPKCRMIVOT-FQEVSTJZSA-N 409.877 3.067 0 40 HGAB O=C(Nc1ccc2[nH]cc([C@@H](C(=O)O)N3CCC(C(=O)O)CC3)c2c1)c1ccccc1 32106006 RMSZLZDXAWVVIX-FQEVSTJZSA-N 421.453 3.343 0 40 HGAB COc1ccccc1Nc1ncccc1C(=O)Nc1ccc(C)c(S(N)(=O)=O)c1 32819115 OPHNIIFMAIXOIT-UHFFFAOYSA-N 412.471 3.042 0 40 HGAB COc1cc([C@@H]2CC(=O)Nc3c2ncn3-c2ccc(F)cc2)c(OC)c2c1OCO2 36559063 WQWNKSWXTPWHAS-ZDUSSCGKSA-N 411.389 3.231 0 40 HGAB C[C@@H](NC(=O)[C@H]1CCN(S(C)(=O)=O)c2cc(Cl)ccc2O1)c1ccccc1 38832894 AVNLIDXDPUSIBI-FZKQIMNGSA-N 408.907 3.135 0 40 HGAB O=C(c1cc(-c2cccc(Cl)c2)[nH]n1)N1CCN(Cc2cn3ccccc3n2)CC1 40082842 SPMDFCKXFWIXOT-UHFFFAOYSA-N 420.904 3.336 0 40 HGAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)NCc1nc2ccccc2s1 40098407 DIOHTYOGFOLTOL-UHFFFAOYSA-N 404.517 3.177 0 40 HGAB CC(C)CNc1nc(C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)cs1 40267639 MSHQFJJIWRKVNZ-UHFFFAOYSA-N 410.546 3.477 0 40 HGAB CCN(CC)CCN(CC(C)C)C(=O)c1sc2nc3n(c(=O)c2c1C)CCC3 47917614 NVUVKCUOBVHVKN-UHFFFAOYSA-N 404.580 3.153 0 40 HGAB CC(C)[C@H](CNC(=O)CCCOc1ccccc1Br)N1CCOCC1 48111371 GRMTWEXFILUXHM-KRWDZBQOSA-N 413.356 3.081 0 40 HGAB Cc1cccc([C@H](CNS(=O)(=O)c2ccc(C)c(Cl)c2)N2CCOCC2)c1 48302582 ALKMEEYGSIWBIT-FQEVSTJZSA-N 408.951 3.309 0 40 HGAB COCc1nnc(NC(=O)CCN2C(=O)c3ccccc3N[C@@H]2c2ccccc2)s1 61717617 AHNMLPJQDFECPP-IBGZPJMESA-N 423.498 3.280 0 40 HGAB CCc1ccc(NC(=O)CN2N=C(c3nc(-c4ccc(F)cc4)no3)CCC2=O)cc1 65197201 FMZJRVVLZDENHC-UHFFFAOYSA-N 421.432 3.403 0 40 HGAB Cc1noc(-c2ccnc(-n3cnc(C(=O)N[C@H](C)CCc4ccccc4)c3)c2)n1 71768380 LWXYADIMVPFAIK-OAHLLOKOSA-N 402.458 3.377 0 40 HGAB C[C@@H](C(=O)N1CCC2(CC1)C[C@]1(CO2)NC(=O)c2ccccc2N1)c1ccccc1 72325235 ZAOPVGLSKIYUJD-MZNJEOGPSA-N 405.498 3.123 0 40 HGAB Cc1nc([C@H]2CCCCN2C(=O)c2cc[nH]n2)nc2c1CC(=O)N2CC1CCCCC1 72380217 PCLICHXJMMPQGN-LJQANCHMSA-N 422.533 3.345 0 40 HGAB Cc1cc(C)n(CCNC(=O)c2ccc(N3CCC(Cc4ccccc4)CC3)nn2)n1 77099934 QCDYNHWOONOQOZ-UHFFFAOYSA-N 418.545 3.179 0 40 HGAB CCc1c(Cl)nc(C)nc1N1CCN(CC(=O)Nc2c(C)cccc2C)CC1 78903579 VWVJJDKIDDCYFX-UHFFFAOYSA-N 401.942 3.378 0 40 HGAB CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)OCCN2CCCc3ccccc32)c1 83852198 UUTGNIKHTMNXQA-UHFFFAOYSA-N 422.934 3.200 0 40 HGAB Cc1sc(-n2cccc2)c(C(=O)OCC(=O)N2CCO[C@H]3CCCC[C@@H]32)c1C 84062004 GCPRJMMSZQBWTK-IRXDYDNUSA-N 402.516 3.482 0 40 HGAB O=C(NC1CCN(C(=O)c2cc(-c3cccc(Cl)c3)on2)CC1)c1cccnc1 84368049 FZUYDPSNQCGVGK-UHFFFAOYSA-N 410.861 3.425 0 40 HGAB CCOC(=O)CC[C@@H]1CCCN(C(=O)c2cnn(-c3ccccn3)c2C(F)(F)F)C1 84792616 DOKJMKAUDYOWMH-AWEZNQCLSA-N 424.423 3.482 0 40 HGAB COc1cccc2[nH]cc([C@@H](CC(=O)N[C@@H]3CCS(=O)(=O)C3)c3ccsc3)c12 95472767 KXIDZLWTMODOHD-CABCVRRESA-N 418.540 3.063 0 40 HGAB O=C(C[C@@H]1CC2(CCN(C(=O)c3cnccn3)CC2)c2ccccc21)NC1CCC1 96052775 CVIDGJOAOQMHAJ-QGZVFWFLSA-N 404.514 3.197 0 40 HGAB CC(C)c1ccc(CN2CC[C@]3(CC(C(=O)N4CCC(N(C)C)CC4)=NO3)C2)cc1 96225682 QJLUJDFCDCCWKG-DEOSSOPVSA-N 412.578 3.083 0 40 HGAB COc1ccc2c(c1)[C@H]1C[C@@](C)(NC(=O)[C@H]1S(=O)(=O)c1ccc(C(C)C)cc1)O2 100894818 LXCBAGKGWZQIAG-CBQOVEMMSA-N 415.511 3.373 0 40 HGAB CN1C(=O)c2ccc(NC(=O)c3nn(-c4ccc(F)c(F)c4)c4c3CCC4)cc2C1=O 107837789 ADPOFXVRCIPINQ-UHFFFAOYSA-N 422.391 3.117 0 40 HGAB CCOC(=O)c1cccc(NC(=O)[C@@H](C)N(c2cccc(C)c2)S(C)(=O)=O)c1C 220143127 FMCQPGKOFSEYAP-MRXNPFEDSA-N 418.515 3.273 0 40 HGAB CC[C@H](C(=O)NCc1ccccc1Cl)N(c1ccc(OC)cc1)S(C)(=O)=O 220647676 KWQIALNEKCDFII-GOSISDBHSA-N 410.923 3.210 0 40 HGAB O=C(Nc1nnc(-c2ccccc2)s1)c1cccc(N2CCCCS2(=O)=O)c1 223142515 VTTPQFYCAYRLMM-UHFFFAOYSA-N 414.512 3.387 0 40 HGAB COc1ccccc1[C@H](C)NC(=O)c1ccc(C)c(N2CCCCS2(=O)=O)c1 223710872 FAIFBCWJYDDIDZ-INIZCTEOSA-N 402.516 3.425 0 40 HGAB COc1ccccc1OCC(=O)N(Cc1ccccc1F)[C@@H](C)C(=O)NC(C)C 224644998 AWTJZSODCYLOGE-INIZCTEOSA-N 402.466 3.155 0 40 HGAB COc1ccc(C(=O)NCC(C)C)cc1CN(c1ccc(F)cc1)S(C)(=O)=O 224754825 VCFUBFKNFXCDSK-UHFFFAOYSA-N 408.495 3.186 0 40 HGAB CSc1ccc(S(=O)(=O)N(C)CC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 224801614 KCIIHCKQKOUJSY-UHFFFAOYSA-N 408.589 3.114 0 40 HGAB Cc1noc(-c2ccn3c(CNC(=O)C4(c5cccs5)CCCC4)nnc3c2)n1 225744924 MUIIOZBMWDFCTJ-UHFFFAOYSA-N 408.487 3.277 0 40 HGAB CC(C)C(=O)N1CCc2c(nc3cc([C@@H]4CCCN4C[C@@H]4CC=CCC4)nn3c2O)C1 248176985 WJOGFGUCTNGPGA-UTKZUKDTSA-N 423.561 3.469 0 40 HGAB CCOc1ccc(CN2C[C@@H]3[C@@H](CCC[C@@]3(O)c3cnc(OC)nc3OC)C2)cc1 253385443 SPVKGXOCFVAXKB-XTQVGHSUSA-N 413.518 3.012 0 40 HGAB C[C@@]1(Cc2ccc(Cl)c(F)c2)Cc2cc(CC(=O)NCCOCCO)ccc2O1 257201774 AIZYTOCJVNIANK-JOCHJYFZSA-N 421.896 3.083 0 40 HGAB Cc1nn(C)cc1S(=O)(=O)N1CCCC[C@@H]1c1ncc(Cc2cccc(F)c2)o1 257314247 UWACTYHVPKMWGJ-GOSISDBHSA-N 418.494 3.362 0 40 HGAB Cc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccccc3Cl)CC2=O)c(C)c1 408661844 OPETXXQOCHKPRF-OAHLLOKOSA-N 400.862 3.492 0 40 HGAB CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)c2ccc(N3C(=O)c4cnncc4C3=O)cc2)C1 408977548 XDSBZIVQNNCOKK-QMHKHESXSA-N 404.470 3.318 0 40 HGAB Cc1cc(C(=O)N2CCC[C@@]3(CCCCc4ccccc4OCCNC3=O)C2)on1 643560080 JTRJIYBAXFJJOK-QHCPKHFHSA-N 411.502 3.127 0 40 HGAB O=C1C(Cl)=C(N2CCN(c3ccccc3)CC2)C(=O)N1Cc1ccc(Cl)cc1 936462 XSCYUSXLGVVYEK-UHFFFAOYSA-N 416.308 3.481 0 40 HGAB COc1ccc(Br)cc1[C@H]1C(C(=O)OC(C)C)=C(C)Nc2ncnn21 959027 KSKXPAVKLWBQLD-HNNXBMFYSA-N 407.268 3.290 0 40 HGAB COc1cccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)c1 1361924 KWPGNHGSTFXJJT-INIZCTEOSA-N 422.934 3.066 0 40 HGAB COc1cc(-c2noc(CCC(=O)Nc3ccc(F)cc3)n2)cc(OC)c1OC 2426882 WTYXVYCZINKKNI-UHFFFAOYSA-N 401.394 3.473 0 40 HGAB O=C(Nn1cnc2sc3c(c2c1=O)CCCC3)c1cc(Br)ccc1O 2639911 OCTAKXMPFKFWHY-UHFFFAOYSA-N 420.288 3.189 0 40 HGAB O=C(Nc1ccc(Br)cc1)c1cc(O)n(Cc2ccccc2)c(=O)n1 3134871 SFIHVVWEWICPCW-UHFFFAOYSA-N 400.232 3.012 0 40 HGAB O=C(NCc1ccc2c(c1)OCO2)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 3425330 LGWHSGCXGVRRCU-MRXNPFEDSA-N 400.862 3.237 0 40 HGAB CCCCNC(=S)N(Cc1cc2cc(OC)ccc2[nH]c1=O)C[C@@H]1CCCO1 4133302 OZAHBXLYVMJSMO-SFHVURJKSA-N 403.548 3.192 0 40 HGAB COC(=O)c1cc(OC)c(OC)cc1N[C@H]1SC(=O)N(c2ccccc2)C1=O 4514030 RLXCRMCFVZYDQX-INIZCTEOSA-N 402.428 3.128 0 40 HGAB Cc1ccccc1S(=O)(=O)Nc1nc2ccccc2nc1N1C[C@H](C)O[C@@H](C)C1 4956984 ZFTZZSJQPNXAFX-HOTGVXAUSA-N 412.515 3.353 0 40 HGAB C[C@H](Sc1nc2ccccc2c(=O)n1[C@@H]1CCC[C@@H](C)[C@H]1C)C(=O)NC(N)=O 5366225 UGJCFISKXJBFJI-NFFDBFGFSA-N 402.520 3.069 0 40 HGAB Cc1ccc(CNC(=O)C(=O)Nc2c3c(nn2-c2ccccc2C)CSC3)cc1 5437752 PBXDWLNPHAQBGT-UHFFFAOYSA-N 406.511 3.491 0 40 HGAB CCC(=O)N1N=C(c2ccc3nccnc3c2)C[C@@H]1c1ccc(NS(C)(=O)=O)cc1 6088614 MATZQKLAQDYHEO-HXUWFJFHSA-N 423.498 3.089 0 40 HGAB CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2cncc(Br)c2)c1C 6916250 BHUDYZGIDVRVBI-UHFFFAOYSA-N 409.236 3.005 0 40 HGAB O=C(Oc1ccccc1)N1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 7987750 RCONEAMHFLYGGW-UHFFFAOYSA-N 414.405 3.211 0 40 HGAB CC(=O)c1ccc(OC[C@@H](O)CN(C)CCOc2ccc(Br)cc2)cc1 7990813 WLCFCMDYZWIYSC-SFHVURJKSA-N 422.319 3.402 0 40 HGAB CCOc1ccccc1N1C[C@@H](C(=O)OCC(=O)Nc2c(C)cccc2C)CC1=O 8039739 OSZSZTHKMSJBLB-KRWDZBQOSA-N 410.470 3.237 0 40 HGAB O=C1NC2(CCCC2)C(=O)N1CC(=O)N1c2ccccc2OC[C@@H]1c1ccccc1 8540936 GSSUEFDKCIOZSL-GOSISDBHSA-N 405.454 3.018 0 40 HGAB COc1ccc(-c2noc(Cn3cnc4sc5c(c4c3=O)CCC5)n2)c(OC)c1 8547420 FXZSCJOLTKLFNH-UHFFFAOYSA-N 410.455 3.062 0 40 HGAB CN(Cc1ccccc1)S(=O)(=O)c1nnc(NC(=O)c2ccccc2Cl)s1 8588153 HZBHNGOQFTWUAH-UHFFFAOYSA-N 422.919 3.265 0 40 HGAB Cc1ccc(-c2cc3c(=O)n(CC(=O)NCc4ccccc4Cl)ccn3n2)cc1 9321127 UTDUVNHRSMSRBU-UHFFFAOYSA-N 406.873 3.441 0 40 HGAB Cc1ccc(S(=O)(=O)Nc2cccc(-c3ccc(N4CCOCC4)nn3)c2)c(C)c1 9529569 RJCHIFMFNZMPHI-UHFFFAOYSA-N 424.526 3.398 0 40 HGAB C[C@@H](C(=O)NC(=O)NC1CCCCC1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 9591793 LXQILKMADAEJFZ-MAUKXSAKSA-N 401.507 3.142 0 40 HGAB CCOC(=O)c1nn(-c2ccccc2C)c(=O)cc1N1CCN(c2ccccc2)CC1 9827946 AHFURFDJYHOAAJ-UHFFFAOYSA-N 418.497 3.044 0 40 HGAB Cc1cc(C(=O)CCC(=O)OCc2cccc(S(=O)(=O)N(C)C)c2)c(C)s1 9842061 ZBOLKZGJGYGYEZ-UHFFFAOYSA-N 409.529 3.322 0 40 HGAB CCOC(=O)C1CCN(C(=O)[C@H](C)Sc2nccn2-c2ccccc2C)CC1 10883177 ZRKUQAZFQBWWAK-INIZCTEOSA-N 401.532 3.463 0 40 HGAB COc1cc(C(=O)OCc2nc3ccccc3c(C)c2Cl)ccc1OCC(N)=O 10904771 VCIWBYCIPOJPBL-UHFFFAOYSA-N 414.845 3.426 0 40 HGAB CCN1C(=O)c2cccc3c(S(=O)(=O)N(C)c4ccccc4C(=O)O)ccc1c23 11691610 JLHAKCDQUHBTDZ-UHFFFAOYSA-N 410.451 3.343 0 40 HGAB COc1cccc(-n2nnc(-c3nc(-c4ccc(Br)cc4)no3)c2N)c1 11691841 DXCNVTUEXXQEBS-UHFFFAOYSA-N 413.235 3.338 0 40 HGAB Cc1c(Cl)cccc1NC(=O)Cc1csc(NC(=O)c2ccc[nH]c2=O)n1 12422950 IPBQMTUJWZFDCC-UHFFFAOYSA-N 402.863 3.227 0 40 HGAB COc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2-c2cnc3ccccc3c2)cc1 12428148 YIOFGWXKBIFHIO-UHFFFAOYSA-N 412.449 3.252 0 40 HGAB O=C(Nc1cccc(S(=O)(=O)NC2CC2)c1)c1ccc(OC(F)(F)F)cc1 12692622 NUUWKUZUJXWYNI-UHFFFAOYSA-N 400.378 3.278 0 40 HGAB CSc1cccc(NC(=O)c2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)c1 12731272 GZSGDSQKTOZYGU-MRXNPFEDSA-N 406.529 3.118 0 40 HGAB O=C(CNC(=O)c1ccc(N2CCCC2=O)cc1)NCc1ccc(Cl)cc1Cl 12775890 RIOBNSRPPAZSLG-UHFFFAOYSA-N 420.296 3.166 0 40 HGAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)Oc1cccc(Cl)c1 13005536 DPWOCCOUXWGQJV-GFCCVEGCSA-N 412.895 3.005 0 40 HGAB Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(OCC(N)=O)cc1)S[C@H](C)C(=O)N2 13995320 FSORGLZTDPZYSX-JLTOFOAXSA-N 422.510 3.208 0 40 HGAB O=C(Cn1nc(-c2ccc(F)cc2)oc1=O)N(Cc1ccccc1)Cc1ccco1 14117369 UIPMBNIUYIJAMV-UHFFFAOYSA-N 407.401 3.464 0 40 HGAB CC(=O)c1c(C)[nH]c(C(=O)N2CCN(Cc3nc(-c4ccc(C)cc4)no3)CC2)c1C 14810393 RVHWEKQHVXCMPI-UHFFFAOYSA-N 421.501 3.151 0 40 HGAB CSc1ccc(CN(C)[C@H](C)C(=O)NC(=O)Nc2ccc3c(c2)OCCO3)cc1 14931402 SLFCISHXHLQVQT-CQSZACIVSA-N 415.515 3.348 0 40 HGAB C[C@H](NC(=O)OCc1ccccc1)C(=O)OCC(=O)c1ccc(Br)cc1 15228334 ABOKFOYAGYYQBG-ZDUSSCGKSA-N 420.259 3.490 0 40 HGAB COC(=O)c1cc(N2CCN(C(=O)OC(C)(C)C)CC2)c2c(F)ccc(F)c2n1 16158336 KBYYWSXKWDXYOV-UHFFFAOYSA-N 407.417 3.357 0 40 HGAB COc1cn(-c2ccccc2)nc1C(=O)N1CCC[C@H](C(=O)Nc2ccccc2)C1 17823788 HBUQAPKYYPYBOG-KRWDZBQOSA-N 404.470 3.372 0 40 HGAB CC(C)(C)c1cc(C(=O)N2CCC[C@@H](COc3ccc(F)cc3)C2)nc2ncnn12 19083864 JPMGMJOGCLVWTN-OAHLLOKOSA-N 411.481 3.492 0 40 HGAB COc1ccc([C@@H]2CN(Cc3ccc(OC)c(CO)c3)C[C@]23CCCCC(=O)N3)cc1 19557238 JPFUYZVCPCJKSK-WIOPSUGQSA-N 424.541 3.225 0 40 HGAB CNC(=O)[C@]1(Cc2ccc(-c3ccccc3OC)cc2)CCN(C(=O)[C@H]2CCCO2)C1 19591405 KHZXJOXKBSPEFF-RDGATRHJSA-N 422.525 3.048 0 40 HGAB Cc1cnc(C(=O)N2CCC[C@@H](c3nc(N(C)C)ncc3-c3ccccc3F)C2)cn1 19694049 SVWHFZBKYHFAGI-MRXNPFEDSA-N 420.492 3.467 0 40 HGAB COCCN1CCCC[C@@H](C2CCN(C(=O)c3cc4ccc(F)cc4[nH]3)CC2)C1=O 19744070 PLJDMYHSHGYWFL-IBGZPJMESA-N 415.509 3.434 0 40 HGAB COc1cc(/C=C2\C(=O)N=C(N)N2C)ccc1OCc1ccc(Br)cc1 19913453 AXQJNDGKZVFHPR-OQLLNIDSSA-N 416.275 3.164 0 40 HGAB COc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H](C)c2ccc(SC)cc2)cc1C 20013713 CMEUVSZSUBHJPR-OAHLLOKOSA-N 422.572 3.223 0 40 HGAB CNS(=O)(=O)c1cc(-c2ccc(Nc3ccc(NC(C)=O)cc3)nn2)ccc1C 20734731 FLBGHTRXTBTJDI-UHFFFAOYSA-N 411.487 3.062 0 40 HGAB CCOc1cccc([C@H]2c3c(-c4cc(C)ccc4O)n[nH]c3C(=O)N2CCCO)c1 21782755 JELGBJQFNWPHEH-QFIPXVFZSA-N 407.470 3.417 0 40 HGAB O=C(NCCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(F)c(F)c1 22227259 NEJIMSNLIGPBBK-UHFFFAOYSA-N 408.470 3.112 0 40 HGAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1cn2c3c(cccc3c1=O)CCC2 22235510 VSHYTLFLBAETOG-UHFFFAOYSA-N 422.437 3.004 0 40 HGAB C[C@H]1CN(C(=O)[C@H](C)N2CCN(C(c3ccccc3)c3ccccc3)CC2)C[C@@H](C)O1 22916889 XBFRELWUKAWEQY-BDTNDASRSA-N 421.585 3.418 0 40 HGAB CC(C)C[C@@H](NC(N)=O)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 24149194 ASYYJXHEVWKFQT-OAQYLSRUSA-N 408.546 3.003 0 40 HGAB COC(=O)c1cccc(S(=O)(=O)N(Cc2ccc3c(c2)OCO3)C2CCCC2)c1 24358677 HAEIBLIMSWUOSL-UHFFFAOYSA-N 417.483 3.335 0 40 HGAB CCOc1ccc(Oc2ccc(NC(=O)[C@@H]3CCCN(S(C)(=O)=O)C3)cc2)cc1 24764528 PAGVOUPEOAERLY-MRXNPFEDSA-N 418.515 3.488 0 40 HGAB CN(C)[C@H](CNC(=O)CCn1c(=S)[nH]c2ccccc2c1=O)c1cccc(F)c1 27593398 SQPXZUQFEFOTEZ-GOSISDBHSA-N 414.506 3.007 0 40 HGAB Cc1cc(C)c2nc(-c3cccs3)cc(C(=O)N[C@H]3CCS(=O)(=O)C3)c2c1 27976926 HVTBTVNBMSSCNJ-AWEZNQCLSA-N 400.525 3.497 0 40 HGAB C[C@H](NC(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1)c1ccc(Br)cc1 31602116 UCBHEDVYBARWMZ-DZGCQCFKSA-N 402.292 3.070 0 40 HGAB COc1cc(OC)c2c(C)c(CC(=O)Nc3nnc(C(C)C)s3)c(=O)oc2c1 31813113 XALPMYNCFUOXLM-UHFFFAOYSA-N 403.460 3.275 0 40 HGAB O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1ccc(I)cc1 32986435 MFBBCGKWKPHSDO-KRWDZBQOSA-N 406.267 3.296 0 40 HGAB CCc1nc2sc([C@H](c3cccc(OC)c3)N3C[C@@H](C)O[C@H](C)C3)c(O)n2n1 36104927 JXXKXCCXVHPUAS-XNJGSVPQSA-N 402.520 3.266 0 40 HGAB CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)NCc1ccc(C(=O)N2CCCC2)cc1 36661147 AHXLTGLICDMGCB-AVRDEDQJSA-N 421.541 3.384 0 40 HGAB Cn1ccnc1[C@@H](NC(=O)NCCCc1nc2ccccc2[nH]1)c1cccc(F)c1 40071896 YFVJTQOFNISXRU-FQEVSTJZSA-N 406.465 3.457 0 40 HGAB C[C@@H](c1nc(Cc2ccccc2)no1)N1CCN(C(=O)c2cc(F)cc(F)c2)CC1 40087429 ZNQXQQUVNKSILW-HNNXBMFYSA-N 412.440 3.458 0 40 HGAB C[C@H]1c2[nH]c3ccccc3c2CCN1CC(=O)NCC(=O)Nc1ccc(F)c(F)c1 40154668 YUVFKPSKBTYKCE-ZDUSSCGKSA-N 412.440 3.120 0 40 HGAB O=C(Nc1ccc(CN2CCOC2=O)cc1)N[C@H](CN1CCCC1=O)c1ccccc1 57984499 SBRQTXDTDIWARW-HXUWFJFHSA-N 422.485 3.124 0 40 HGAB CN(Cc1cnn(-c2cccc(Cl)c2)c1)C(=O)CCN1C(=O)c2ccccc2C1=O 57986331 OIPKBZIRMZMTIM-UHFFFAOYSA-N 422.872 3.170 0 40 HGAB CC1CCC(NS(=O)(=O)CC(=O)N2CCC[C@H]2Cc2ccccc2Cl)CC1 60379156 NREHKEKSOCHTMA-VJFUWPCTSA-N 412.983 3.372 0 40 HGAB COC(=O)C1=CO[C@@H](C)[C@@H]2CN3CCc4c([nH]c5cc(OC)c(OC)cc45)[C@H]3C[C@H]12 72266283 FGWJRZQNNZVCHR-BCRCDCHUSA-N 412.486 3.196 0 40 HGAB biogenic,in-vitro O=C(CCn1cccn1)N1CCC2(CC1)C[C@]1(CO2)Nc2ccccc2-n2cccc21 72327274 RDKAXPSLPCVJJJ-XMMPIXPASA-N 417.513 3.166 0 40 HGAB Cc1nn(C)c(C)c1[C@@H](C)C(=O)N(CC(=O)OC(C)(C)C)c1ccc2c(c1)OCO2 78976109 QDSIEZINUQWNOG-CYBMUJFWSA-N 415.490 3.244 0 40 HGAB Cc1cc(C#N)c2cc(I)n(S(=O)(=O)c3ccccc3)c2n1 95919986 HCKZKJWERWNGKJ-UHFFFAOYSA-N 423.235 3.058 0 40 HGAB O=S(=O)(c1ccc(Cl)cc1)[C@@H]1CCN(S(=O)(=O)c2ccc(Cl)cc2)C1 96371272 JFNGWTLESCXUPU-MRXNPFEDSA-N 420.339 3.230 0 40 HGAB COC(=O)Cn1/c(=N/C(=O)c2ccc(OC)cc2OC)sc2c(C)cc(C)cc21 100910593 WJONJFJVWZRKBT-DQRAZIAOSA-N 414.483 3.251 0 40 HGAB O=C1C[C@@H](n2nc(COc3ccccc3)n(-c3ccccc3)c2=S)[C@@H]2CO[C@@H]1O2 101029567 FBIOLMDPKYLULT-IMFGXOCKSA-N 409.467 3.238 0 40 HGAB CC(C)(C)OC(=O)[C@@H]1C(=O)C[C@@](C)(O)[C@H](C(=O)OC(C)(C)C)[C@@H]1c1ccccc1 101047686 QVFPDSCSUILPAI-PRHHBONVSA-N 404.503 3.410 0 40 HGAB COc1ccc(OC)c(NC(=O)c2ccccc2N2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1 136530173 GQBIEIPFIXCPAB-IYBDPMFKSA-N 406.438 3.412 0 40 HGAB CN(C)S(=O)(=O)c1ccc(C(=O)N2CCS[C@@H](c3ccccc3)CC2)cc1 211142658 IIXAOAJLPVNOMW-LJQANCHMSA-N 404.557 3.257 0 40 HGAB CC[C@@H](C(=O)NCCCc1cccc(C)c1)N(c1ccccc1F)S(C)(=O)=O 220602668 BFZAGEKGNLDBRF-IBGZPJMESA-N 406.523 3.428 0 40 HGAB O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)NCCOCc1ccccc1 223461302 XUNVIGHDRMFWLE-UHFFFAOYSA-N 424.522 3.215 0 40 HGAB CCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CCc1ccc(OC)c(OC)c1 224085430 BMIXVAYFYJICOO-GOSISDBHSA-N 412.530 3.232 0 40 HGAB Cc1ccc(C)c(N(CCCC(=O)NCCOCc2ccccc2)S(C)(=O)=O)c1 224150452 YZVLIEXRAHTPSS-UHFFFAOYSA-N 418.559 3.183 0 40 HGAB CCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)COc1ccccc1F 224552614 LXWXBRYNOYQEDF-IBGZPJMESA-N 402.466 3.157 0 40 HGAB COc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(C(F)(F)F)cc2)cc1C 224653923 NVMGQIVYOHHEIX-UHFFFAOYSA-N 403.378 3.302 0 40 HGAB CC[C@@H](C(=O)N1CCN(c2nccn3nc4c(c23)CCCC4)CC1)c1ccccc1 225331213 DRHQOERBLAHBSF-LJQANCHMSA-N 403.530 3.451 0 40 HGAB CNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)COc1ccc(C)cc1 225468863 JYDXWKGIZOJXEP-OAHLLOKOSA-N 419.319 3.300 0 40 HGAB Cc1cc(C)c2c(=O)ccn(CC(=O)N3CCN(C/C=C/c4ccccc4)CC3)c2c1 225758110 VMQXYGUHPYHFFY-RMKNXTFCSA-N 415.537 3.476 0 40 HGAB Cc1nc([C@@H]2CCCN(C(=O)CCc3ccccc3)C2)nc(C)c1CC(=O)N(C)C 257314558 UXLVZKMHACLZKX-HXUWFJFHSA-N 408.546 3.063 0 40 HGAB CCc1c(C(=O)N2CCC3(CC2)C[C@H](N(C)C)[C@@](C)(O)CO3)[nH]c2ccc(C)cc12 257314627 UXTBLDBSJBXCGG-REWPJTCUSA-N 413.562 3.115 0 40 HGAB c1cncc(CN2C[C@]3(CCN(Cc4ccc5c(c4)OCO5)C3)c3ncccc32)c1 306126890 FICHGSWVHOYGGL-XMMPIXPASA-N 400.482 3.369 0 40 HGAB CN1CC[C@H](COc2ncccc2F)CC12CN(C(=O)c1cc3ccccc3[nH]1)C2 306138654 SDQLWUHQFHIJID-INIZCTEOSA-N 408.477 3.317 0 40 HGAB O=C(COc1ccc(S(=O)(=O)NC2CCCC2)cc1Cl)NC1CCCCC1 408585256 YFJKXMSMKTYNFH-UHFFFAOYSA-N 414.955 3.389 0 40 HGAB CCN1CCN(S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)c(C)c2)CC1 408626286 VUDFURNOYKLMLS-UHFFFAOYSA-N 421.950 3.227 0 40 HGAB COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NC(C)C)c(Cl)c2)cc1 408635575 FCXAKIGTRKJMJS-UHFFFAOYSA-N 412.895 3.053 0 40 HGAB COCCNC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 408704057 JEMSTDRDULLHNV-HXUWFJFHSA-N 404.919 3.490 0 40 HGAB COCC(=O)N[C@H]1[C@H](c2cccs2)N(Cc2ccccc2Cl)CC[C@@]1(C)O 604383295 SXNIPTDEWBLHFK-SLFFLAALSA-N 408.951 3.231 0 40 HGAB biogenic,in-vitro O=C(Nc1cccc2cnncc12)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 683129479 UQGMOSRBRBTXCT-QFIPXVFZSA-N 422.444 3.476 0 40 HGAB C=CC(=O)N1CCC(C(=O)N2C[C@@H](c3cnn(C)c3)C(C)(C)C2)(c2ccccc2)CC1 1637593868 LYNGIVXDBOOTCG-NRFANRHFSA-N 420.557 3.119 0 40 HGAB CC(C)(C)NS(=O)(=O)C1(CNc2nc(-c3ccccn3)nc3sccc23)CC1 1640340073 SLORLVVMENEGLC-UHFFFAOYSA-N 417.560 3.416 0 40 HGAB COc1ccc(C(=O)N2CCC[C@]3(C2)NC(=O)N(Cc2ccc(C)cc2C)C3=O)cc1 1888916672 QFRDEQQKIJKVPV-XMMPIXPASA-N 421.497 3.039 0 40 HGAB COc1ccc(NC(=O)CCc2cc(-c3ccc(O)c(OC)c3)nc(NC#N)n2)cc1 644800 LNSRSHAEOBXAKX-UHFFFAOYSA-N 419.441 3.331 0 40 HGAB O=S(=O)(NCc1cccnc1)c1cc(Br)ccc1Br 863587 CQTPEGNVIIRMML-UHFFFAOYSA-N 406.099 3.085 0 40 HGAB CC1=C(C(N)=O)[C@@H](c2ccccc2Cl)N2NC(c3ccccc3Cl)=NC2=N1 940689 TXIHKWCFFGWIIK-MRXNPFEDSA-N 400.269 3.430 0 40 HGAB CCc1ccccc1N(CC(=O)NC[C@@H]1CCCO1)S(=O)(=O)c1ccc(C)cc1 1462311 PKAGFKKXXGVWFM-IBGZPJMESA-N 416.543 3.048 0 40 HGAB COc1ccc(CCNC(=O)CSCC(=O)Nc2ccc(C)cc2)cc1OC 1892696 FCQZSJOHKFJTJL-UHFFFAOYSA-N 402.516 3.043 0 40 HGAB CC(C)Oc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N[C@@H](C(=O)O)C(C)C)cc1 2115988 SIFHZYJZURFFSS-OKPNHQCWSA-N 424.497 3.470 0 40 HGAB biogenic COC(=O)COc1cccc2c(=O)n(CC(=O)Nc3cccc4ccccc34)ccc12 2712368 QGUANKXVMSEIBK-UHFFFAOYSA-N 416.433 3.345 0 40 HGAB C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)NCc3ccc(Cl)cc3)c2)C[C@@H](C)O1 3452047 DHLZKRNKFFBUPO-HUUCEWRRSA-N 422.934 3.068 0 40 HGAB O=C(COC(=O)c1ccccc1N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)c1ccccc1 4157202 VXPZAGCEUKQWSA-GQSCTRQFSA-N 401.418 3.038 0 40 HGAB COc1ccc(N(CC(=O)NC2CCCCC2)S(=O)(=O)c2ccc(F)cc2)cc1 4554441 ASUWGFIUNNZEHO-UHFFFAOYSA-N 420.506 3.479 0 40 HGAB C[C@]1(c2ccc3c(c2)OCO3)NC(=O)N(Cc2cccc(Br)c2)C1=O 4788023 FGYBQZNZVFKIIT-GOSISDBHSA-N 403.232 3.145 0 40 HGAB Cc1ccc2cc(CN(CCO)[C@H](c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c2c1 4848017 WTPAAXPSPUHGOH-NRFANRHFSA-N 424.549 3.130 0 40 HGAB CC(C)C(=O)Nc1cccc(NC(=O)CSc2nnc(-c3ccncc3)n2C)c1 4860956 WIUDIXQDHRFAQA-UHFFFAOYSA-N 410.503 3.202 0 40 HGAB COc1cccc(C(=O)NC2CCN(CC(=O)Nc3cccc(Cl)c3C)CC2)c1 4909216 GLFUMWCQIKAOIM-UHFFFAOYSA-N 415.921 3.490 0 40 HGAB CC1(C)Cc2cccc(OCC(=O)OCC(=O)NC34CC5CC(CC(C5)C3)C4)c2O1 4997727 MFEKROZUUHTPQI-UHFFFAOYSA-N 413.514 3.407 0 40 HGAB CCc1ccc(CN(C(=O)COc2cc(C)cc(C)c2)[C@H]2CCS(=O)(=O)C2)cc1 5112062 ZRHBRIMNVUKEHF-NRFANRHFSA-N 415.555 3.461 0 40 HGAB COc1cc(CCC(=O)OCC(=O)N2c3ccccc3C[C@@H]2C)cc(OC)c1OC 5693307 SAEQDQMVLDMMPM-HNNXBMFYSA-N 413.470 3.166 0 40 HGAB CC(C)OCCCNC(=O)c1ccc(N(Cc2ccccc2)S(C)(=O)=O)cc1 6345550 SJXPHYPTEJCJOH-UHFFFAOYSA-N 404.532 3.198 0 40 HGAB CC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc(Br)cc3C)ccc21 6728992 GRCXMWNQWHMVBT-UHFFFAOYSA-N 409.305 3.467 0 40 HGAB O=C(COc1ccc(Cl)cc1)N(Cc1ccccc1F)[C@H]1CCS(=O)(=O)C1 6811033 CYTIIEGDHUMVLN-INIZCTEOSA-N 411.882 3.074 0 40 HGAB Cc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)c(C)n1-c1cccc(C(=O)O)c1 7468842 YWSWIFIJWFVFFS-XDHOZWIPSA-N 421.453 3.197 0 40 HGAB CCOc1ccc(NC(=O)CN(C)CC(=O)N[C@H]2CCC[C@H](C)[C@@H]2C)cc1OCC 7704465 ZYMHZYHPCASTHA-LNLFQRSKSA-N 419.566 3.295 0 40 HGAB CCOc1cc(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc(Cl)c1O 7784048 RGWQDAYIGCJDMN-UHFFFAOYSA-N 401.850 3.494 0 40 HGAB Cc1cc(OC(=O)[C@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)ccc1N1C(=O)CCC1=O 7928552 IBZVIWGEAJGAEQ-WMZOPIPTSA-N 420.465 3.164 0 40 HGAB O=C1N[C@H](c2ccc3ncccc3c2)[C@H](C(=O)c2cccs2)[C@](O)(C(F)(F)F)N1 9090846 HKFUBPZSIICYSI-RKVPGOIHSA-N 421.400 3.400 0 40 HGAB NC(=O)c1ccc(NC(=O)[C@@H]2CCc3sc(NC(=O)c4ccccc4)nc32)cc1 9131429 FCVKHGMAVLWTNP-OAHLLOKOSA-N 406.467 3.163 0 40 HGAB Cc1ccc(CN(C)C(=O)COC(=O)C2=NN(c3cc(C)ccc3C)C(=O)CC2)cc1 9255984 PUXCHSHTSTVFNU-UHFFFAOYSA-N 421.497 3.296 0 40 HGAB O=C(O)COc1ccc(/C=C2/NC(=O)N(c3ccccc3)C2=O)cc1Br 9260714 DLHNHOOLTBXGFU-NTEUORMPSA-N 417.215 3.010 0 40 HGAB O=C(Cc1cccc2ccccc12)Nn1cnc2c(cnn2-c2ccc(F)cc2)c1=O 9563026 UVVKGZGCJVXNHA-UHFFFAOYSA-N 413.412 3.187 0 40 HGAB CCn1cc(C(=O)NCc2c(F)cccc2F)c2nn(-c3ccccc3)c(=O)c-2c1 9661480 ALZGBAAFBBQECI-UHFFFAOYSA-N 408.408 3.367 0 40 HGAB CCOC(=O)c1cccc(NC(=O)CN(c2c(C)cccc2C)S(C)(=O)=O)c1C 10442823 PWYQTWCLHGJPEJ-UHFFFAOYSA-N 418.515 3.193 0 40 HGAB CCOc1ccc(CNC(=O)[C@H](C)N(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 10448758 VOIDQPPRCBVXMI-KRWDZBQOSA-N 404.532 3.173 0 40 HGAB COc1ccc(N(CC(=O)N2CCC[C@@H](C)C2)S(=O)(=O)c2ccccc2)cc1 10541144 HRMWHBJTLXQIKO-QGZVFWFLSA-N 402.516 3.149 0 40 HGAB Cc1cc(C(=O)OCc2ccc(F)cc2Br)cc(S(N)(=O)=O)c1C 11203114 BHVNNTXIMRSNSX-UHFFFAOYSA-N 416.268 3.209 0 40 HGAB COc1ccc(NC(C)=O)cc1NC(=O)[C@@H]1CCCN1c1ncnc2ccccc12 11250163 QFMARQMIILODOC-IBGZPJMESA-N 405.458 3.204 0 40 HGAB CC(C)NC(=O)Cn1c([C@H]2CC(=O)N(Cc3ccc(F)cc3)C2)nc2ccccc21 12062193 ZXIDCDIEFPOSEF-KRWDZBQOSA-N 408.477 3.216 0 40 HGAB NC(=O)c1nc(-c2ccc(Cl)c(Cl)c2)nc2c1[nH]c(=O)n2-c1ccc(F)cc1 12080832 CTBBZKRWCLSEIK-UHFFFAOYSA-N 418.215 3.321 0 40 HGAB O=C(NCCCn1ccnc1)C1(Cc2cc(-c3ccccc3F)no2)CCOCC1 12126535 ZMDRHKKKEDKJNL-UHFFFAOYSA-N 412.465 3.223 0 40 HGAB CCN(CCCNC(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CCC3)c1ccccc1 12537181 HJZIWUOEZCMRSZ-UHFFFAOYSA-N 424.570 3.439 0 40 HGAB Cn1ccnc1[C@H](NC(=O)CNC(=O)c1ccccc1Cl)c1ccc(Cl)cc1 12560185 APDGRDCPNNWGPF-GOSISDBHSA-N 417.296 3.363 0 40 HGAB C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)O[C@@H](C)c3ccccc3)cc2)C[C@@H](C)O1 12737547 PDXHVQOLGUTOIG-BBWFWOEESA-N 403.500 3.403 0 40 HGAB NC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1 12765221 UJXLHXSGEYLSFP-SXYIGIQMSA-N 415.965 3.227 0 40 HGAB COC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc1 12790745 INIOBWOIBMVXQJ-GOSISDBHSA-N 417.483 3.160 0 40 HGAB CCCCn1c(SCc2nnc(-c3ccc(Br)o3)o2)n[nH]c1=O 12869234 COCVIRJSVPMCMR-UHFFFAOYSA-N 400.258 3.069 0 40 HGAB Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N(C)Cc1nc2ccccc2c(=O)[nH]1 12908985 UPKVHSZIEIXXLT-UHFFFAOYSA-N 405.433 3.137 0 40 HGAB CC(=O)Nc1ccc2nc(NC(=O)[C@H](C)NC(=O)/C=C/c3ccccc3)sc2c1 13011421 UAXPLDFPPZWVOT-YKWSONSWSA-N 408.483 3.411 0 40 HGAB CC(C)CNC(=O)c1ccccc1NC(=O)COC(=O)CSc1ccccc1F 13096449 UHGVPRJLBQXOHC-UHFFFAOYSA-N 418.490 3.486 0 40 HGAB C[C@H]1Oc2ccccc2N(CC(=O)Nc2ccnn2Cc2cccc(Cl)c2)C1=O 14199445 OHHYHWZLEMFTLQ-CQSZACIVSA-N 410.861 3.337 0 40 HGAB O=C(Cn1cnc2c(oc3ccccc32)c1=O)N1CCN(c2cccc(Cl)c2)CC1 15633702 NUSXVUQPMUWWLL-UHFFFAOYSA-N 422.872 3.145 0 40 HGAB O=C(OCc1cc2c(cc1Br)OCO2)c1cc(=O)[nH]c2ccccc12 16048153 XAWPPAMGJGMPCN-UHFFFAOYSA-N 402.200 3.376 0 40 HGAB O=C1C[C@@H](C(=O)Nc2cccc(C(=O)Nc3ccc(C(=O)O)cc3)c2)C2(CCCC2)O1 16957143 UVUKOXNSMXIDEO-SFHVURJKSA-N 422.437 3.452 0 40 HGAB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2ccc(CN3CCCC3=O)cc2)c1C 18378081 UHMBSVAOIXNEFU-INIZCTEOSA-N 410.470 3.385 0 40 HGAB Cc1cc(-c2cnc(N3CCCC3)nc2C2CCN(C(=O)c3cccnc3)CC2)on1 19123055 PEPSDBMLTNXHSU-UHFFFAOYSA-N 418.501 3.455 0 40 HGAB COc1cc2c(cc1CN(CCCN1CCOCC1)Cc1ccc(C)o1)OCO2 19216432 GOQHZSSXJVDLMS-UHFFFAOYSA-N 402.491 3.050 0 40 HGAB O=C(CN1CCC2(CC1)Nc1ccccc1C1=NCCCN12)Nc1ccccc1F 19375111 OAONPUYUWRXAQE-UHFFFAOYSA-N 407.493 3.134 0 40 HGAB CNC(=O)C1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)[C@H]2CCCO2)CC1 19700313 ZBJXLBNQPYKANO-JOCHJYFZSA-N 406.526 3.430 0 40 HGAB CN(CCO)C(=O)c1sc2ncccc2c1[C@H]1CCN(CCc2ccccc2)C1 19702033 WIMPBWHDIIFIFR-SFHVURJKSA-N 409.555 3.393 0 40 HGAB CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1cc(C(=O)OC)cc(C(=O)OC)c1 20492029 WJRSCOPBOYBAQJ-SFHVURJKSA-N 401.415 3.065 0 40 HGAB O=C(NCCCN1CCOCC1)c1cn(Cc2ccccc2)nc1-c1ccccc1 21236319 HOTUERJEVUBYEY-UHFFFAOYSA-N 404.514 3.051 0 40 HGAB CCc1noc(-c2ccc(NC(=O)[C@@H]3CC(=O)N(c4ccccc4OC)C3)cc2)n1 21792497 GNXPJBAQBWXADZ-OAHLLOKOSA-N 406.442 3.299 0 40 HGAB CC(C)N(CCNC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1)C(C)C 22007861 WURNHZMPEGEYNR-UHFFFAOYSA-N 409.577 3.398 0 40 HGAB CC1(c2ccc(CCOc3ccc(/C=C4\SC(=O)NC4=O)cc3)nc2)OCCO1 22063089 DLZDCEKRRJKXND-PDGQHHTCSA-N 412.467 3.247 0 40 HGAB in-vitro CCOC(=O)c1ccc(N2C(=O)C[C@H](NCC34CC5CC(CC(C5)C3)C4)C2=O)cc1 22063385 ISNMVAZRFKSKNY-ZDCBYCKXSA-N 410.514 3.301 0 40 HGAB CC[C@@H](C)NC(=O)COc1ccc(N(Cc2ccc(C)cc2)S(C)(=O)=O)cc1 22231483 ZDFHJMCSKNLFND-QGZVFWFLSA-N 404.532 3.255 0 40 HGAB CCN(c1cc(OC)c(OC)cc1C(=O)Nc1cccc(Cl)c1)S(C)(=O)=O 22251920 CPMSSZKPPOXOPV-UHFFFAOYSA-N 412.895 3.395 0 40 HGAB COC(=O)c1cc(NC(=O)c2ccc(NS(C)(=O)=O)cc2Cl)ccc1Cl 22514058 USGVGDJWXHMMPR-UHFFFAOYSA-N 417.270 3.404 0 40 HGAB O=C(Nc1ccc(OC(F)(F)F)cc1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 23038193 PHYQYTHYOAQYNO-GFCCVEGCSA-N 422.359 3.348 0 40 HGAB CCN(Cc1ccc(OC)c(OC)c1)C(=O)c1cccc(NS(=O)(=O)CC)c1 23180237 XOIOIFOLTXTVFU-UHFFFAOYSA-N 406.504 3.128 0 40 HGAB COc1cccc(-c2nnc(S[C@@H](C)C(=O)Nc3ccnn3C(C)C)n2C)c1 23468522 ZQFOANYSZNVQHB-ZDUSSCGKSA-N 400.508 3.387 0 40 HGAB COc1cccc(C(=O)N2CCN(Cc3nc(-c4ccc(Cl)cc4)no3)CC2)c1 24293693 LEMVMWXPHCIOFE-UHFFFAOYSA-N 412.877 3.357 0 40 HGAB CCOc1ccc(-c2nnc(NC(=O)c3ccc4c(=O)n5c(nc4c3)CCC5)o2)cc1 24769450 XEDHBXLRCXGUQH-UHFFFAOYSA-N 417.425 3.044 0 40 HGAB O=C(c1ccc2c(=O)n3c(nc2c1)CCCCC3)N1CCN(Cc2ccccc2)CC1 25426877 UHLAXWKXXQURBJ-UHFFFAOYSA-N 416.525 3.081 0 40 HGAB C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)CCCc1nc2ccccc2c(=O)[nH]1 27131939 ARJMJGDRVZBENI-MRXNPFEDSA-N 416.485 3.046 0 40 HGAB CCOc1ccc(OC(C)(C)C(=O)OCc2cc(=O)n3nc(CC)sc3n2)cc1 27908314 HPUMXEBRHSZNNR-UHFFFAOYSA-N 417.487 3.013 0 40 HGAB Cc1noc(C)c1CSc1ncccc1C(=O)NC[C@@H]1CN(CC(C)C)CCO1 28017727 BZHRNDRKCPONGV-QGZVFWFLSA-N 418.563 3.065 0 40 HGAB Cc1ccc([C@@H](CC(=O)OC(C)C)NC(=O)CCn2ncc(=O)c3ccccc32)cc1 32820920 LNWZFEVZSUHTMV-HXUWFJFHSA-N 421.497 3.294 0 40 HGAB Cn1c(=O)n(C)c2cc(NC(=O)C3CCN(Cc4ccc(Cl)cc4)CC3)ccc21 39773544 MDHCLWWHSXHMQF-UHFFFAOYSA-N 412.921 3.381 0 40 HGAB C[C@@H](OC(=O)CNC(=O)COc1ccccc1)c1nc2ccccc2n1C(F)F 40032245 PPCNQEFOPCJMBW-CYBMUJFWSA-N 403.385 3.231 0 40 HGAB O=C(c1cccc2ccccc12)N1CCN(C[C@@H](O)COCc2ccccc2)CC1 40062585 VINWIEQDORDJLR-JOCHJYFZSA-N 404.510 3.175 0 40 HGAB Cc1nc(-c2ccc(CC(=O)Nc3ccc(C)c(S(N)(=O)=O)c3)cc2)cs1 40079597 AAIOACQPFULPHX-UHFFFAOYSA-N 401.513 3.256 0 40 HGAB CC(=O)Nc1cccc(-n2cnnc2S[C@@H](C)c2nnnn2-c2ccccc2)c1 40089707 YAXWLHLBCIADMM-ZDUSSCGKSA-N 406.475 3.055 0 40 HGAB CC(C)[C@@H](C(=O)NCc1cccnc1OC1CCCC1)N1C(=O)c2ccccc2C1=O 40090837 UDGHIPXWFANIBV-FQEVSTJZSA-N 421.497 3.340 0 40 HGAB O=C(CN1CCN(C(=O)Nc2ccccc2Oc2ccccc2)CC1)N1CCCC1 40099124 LXOJGHSPJNHEQM-UHFFFAOYSA-N 408.502 3.251 0 40 HGAB O=C(c1cc(Cl)ccc1F)N1CCN(Cc2noc(-c3ccccc3)n2)CC1 40120042 SKVQNXQTYPEBIL-UHFFFAOYSA-N 400.841 3.487 0 40 HGAB CCN(CC)C(=O)N1CCC[C@H](C(=O)Nc2c3c(nn2-c2ccccc2)CCC3)C1 40132182 MQPGHHJFHVPTEA-KRWDZBQOSA-N 409.534 3.473 0 40 HGAB COc1c(Br)cc(Cl)cc1S(=O)(=O)N(C)Cc1ccccn1 40156737 NNNKXTKDCNTBDH-UHFFFAOYSA-N 405.701 3.327 0 40 HGAB C[C@@H]1Cc2cc(-c3csc(-c4cccc(C(N)=O)c4)n3)ccc2N1S(C)(=O)=O 46865262 KIMVJSLBLUFTFC-GFCCVEGCSA-N 413.524 3.287 0 40 HGAB O=C(COc1ccc(Cl)cc1Cl)N1CC(c2nc(-c3cccnc3)no2)C1 49483458 MJIHITWXIVNXDI-UHFFFAOYSA-N 405.241 3.443 0 40 HGAB COc1cc(CNC(=O)[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)ccc1O 53800960 JPKMKHMERIDVRH-CYBMUJFWSA-N 409.269 3.377 0 40 HGAB COc1ccc(NC(=O)Cn2nnc(C(=O)Nc3cc(C)ccc3C)c2C)c(OC)c1 71327029 FDGYHECLKDFTFZ-UHFFFAOYSA-N 423.473 3.112 0 40 HGAB COc1ccccc1C1(NC(=O)CCCC[C@H]2SC[C@H]3NC(=O)N[C@H]32)CCCC1 72346497 QSLXFXJIPLJSOQ-YVWKXTFCSA-N 417.575 3.307 0 40 HGAB NC(=O)c1ccc(-c2cnc(N)nc2[C@@H]2CCCCN2C(=O)c2ccccc2)cc1 72376804 FEEANURSFOTQBG-IBGZPJMESA-N 401.470 3.192 0 40 HGAB CCCC(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CN(Cc1cccs1)CC2 72399086 MYUWVHRBXRKHCG-GOSISDBHSA-N 400.548 3.243 0 40 HGAB COc1ccc(NC(=O)c2ccc(Cn3nnc4ccccc4c3=O)cc2)c(OC)c1 72403286 BPGXTPZVDVIUPV-UHFFFAOYSA-N 416.437 3.109 0 40 HGAB COCCn1cc(CCC(=O)Nc2ccc(Cn3cncn3)cc2)c2ccccc21 79483670 CVAMZRWEIQOXHV-UHFFFAOYSA-N 403.486 3.499 0 40 HGAB COc1ccc(S(=O)(=O)CCC(=O)N[C@H](C)c2ccc(F)c(F)c2)cc1OC 84647893 MIEHVKGJQDVIKS-GFCCVEGCSA-N 413.442 3.023 0 40 HGAB CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NC[C@@H]1CCCN(C(=O)c2cccs2)C1 89661978 YBHVRCIUSFTNIF-HOTGVXAUSA-N 421.563 3.116 0 40 HGAB COC(=O)c1cc(=O)n(Cc2ccc(F)cc2)/c(=N/Cc2ccc(F)cc2)s1 100163166 LNMBXARMYXZWTL-ATJXCDBQSA-N 402.422 3.124 0 40 HGAB CC(C)OC(=O)[C@@H]1C(=O)C[C@@](C)(O)[C@H](C(=O)OC(C)C)[C@H]1c1ccc(Cl)cc1 101176152 CTPJHIYBLCRVGW-TWFHAPMSSA-N 410.894 3.283 0 40 HGAB CC(C)(C)OC(=O)[C@@H]1C(=O)C[C@@](C)(O)[C@H](C(=O)OC(C)(C)C)[C@@H]1c1ccc(O)cc1 101998745 IAIPIVRRJFSQNH-PRHHBONVSA-N 420.502 3.115 0 40 HGAB CCOc1ccccc1N(CCCC(=O)NCc1ccc(F)cc1)S(C)(=O)=O 113962387 ITLMEGYWHUCTJS-UHFFFAOYSA-N 408.495 3.087 0 40 HGAB C[C@@](O)(CNC(=O)CCc1ccccc1Br)c1ccc2c(c1)OCO2 206704176 AQEXGBPVGVIWRU-LJQANCHMSA-N 406.276 3.134 0 40 HGAB CC[C@@H](NC(=O)[C@@H](C)N(c1cccc(OC)c1)S(C)(=O)=O)c1ccc(OC)cc1 220183152 DXDCBKGTCKPWFT-FOIQADDNSA-N 420.531 3.126 0 40 HGAB COC(=O)c1ccc(NC(=O)[C@H](C)N(c2ccc(C)c(Cl)c2)S(C)(=O)=O)cc1 220355798 PLBSJGLTSLOVFU-ZDUSSCGKSA-N 424.906 3.228 0 40 HGAB CSc1cccc(NC(=O)[C@@H](C)N(c2ccc(F)c(F)c2)S(C)(=O)=O)c1 220449917 SUWVMVBJHXHKLS-LLVKDONJSA-N 400.472 3.480 0 40 HGAB Cc1ccc(OC[C@H](C)NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2Cl)cc1 222523905 NYAVWNPIYCRFJY-AWEZNQCLSA-N 410.923 3.242 0 40 HGAB Cc1cc(S(=O)(=O)NCC(C)C)ccc1OCC(=O)N(C)Cc1ccccc1F 222758583 VAENMXQBSQVOFT-UHFFFAOYSA-N 422.522 3.106 0 40 HGAB CNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CCSCc1ccccc1 222813896 ZUXYGIMVBAZCSO-QGZVFWFLSA-N 400.544 3.482 0 40 HGAB CC[C@@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CCc1ccc(OC)c(OC)c1 223004510 NHYHUJQPZWAASQ-FQEVSTJZSA-N 412.530 3.498 0 40 HGAB CCCN1C(C)=NS(=O)(=O)c2cc(C(=O)Nc3ccc(C(=O)OC)cc3)ccc21 223113285 UUWVGTDJHYYJDD-UHFFFAOYSA-N 415.471 3.063 0 40 HGAB COCCn1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c1C 223306436 WRNFINVZKZZPCA-DZFGPLHGSA-N 414.575 3.298 0 40 HGAB O=C(NCCSc1ncn[nH]1)[C@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 225909973 YBOCRIAWUCNVPE-LBPRGKRZSA-N 414.362 3.232 0 40 HGAB COc1ccc(CCNC(=O)[C@@H]2C[C@H]3CC[C@H]2C[C@]32NC(=O)c3ccccc3O2)cc1 247911645 KTVSJXZCKHYJBB-FAYLVHGNSA-N 420.509 3.309 0 40 HGAB COc1ccc(-c2cc(C(=O)N3CC[C@H](Oc4ccccc4)[C@@](C)(O)C3)nn2C)cc1 257329551 XKKVWGFCKVDLBJ-UPVQGACJSA-N 421.497 3.140 0 40 HGAB c1ccc(CN2C[C@@]3(CCN(Cc4ccc5c(c4)OCO5)C3)c3ncccc32)nc1 306137965 RLFAQFUXVPTBLP-DEOSSOPVSA-N 400.482 3.369 0 40 HGAB C[C@@]12C[C@@H](c3ccccc3O1)[C@H](C(N)=O)C(=O)N2CCCn1ccc2ccc(F)cc21 524734849 RKUVHGNYVUAZJC-VNZMSGEBSA-N 421.472 3.397 0 40 HGAB Cc1ccc([C@@H](CN2CCOCC2)NC(=O)Cc2csc(C(C)(C)C)n2)cc1 588358284 AZIBRNLWAZSVHH-LJQANCHMSA-N 401.576 3.481 0 40 HGAB Cc1sc(Br)cc1S(=O)(=O)N1CC(=O)Nc2c(F)cccc21 680368514 MVJDHUKBVCQBFX-UHFFFAOYSA-N 405.270 3.106 0 40 HGAB CC(=O)Nc1ccc(S(=O)(=O)N2CCC(c3ccc4cccnc4n3)CC2)cc1 1622294690 WMDPVRLCCHEVSM-UHFFFAOYSA-N 410.499 3.157 0 40 HGAB CN(C)c1cccc(C(=O)N2CCC(Cn3cnc4cc(F)ccc4c3=O)CC2)c1 1848817514 GOLJTRHNTXMYEV-UHFFFAOYSA-N 408.477 3.154 0 40 HGAB O=C(CSc1nc(-c2ccc(F)cc2)cc(C(F)(F)F)n1)N1CCOCC1 890838 JDIKKTLBVMZZGC-UHFFFAOYSA-N 401.385 3.252 0 40 HGAB CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccccc3)N3CCCC3)cc2c1 893467 VADMZIUIDPUUNL-QFIPXVFZSA-N 414.513 3.311 0 40 HGAB CCOC(=O)c1ccccc1-n1cc2c(c1-c1ccc(C)cc1)c(=O)n(C)c(=O)n2C 2235387 WXBWJELODJEVKN-UHFFFAOYSA-N 417.465 3.180 0 40 HGAB COc1ccccc1NC(=S)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 3310350 RLINGSSFUZBYKC-UHFFFAOYSA-N 415.500 3.095 0 40 HGAB COc1ccc(CNC(=O)Cc2c(C)c3c(OC)cc(C)cc3oc2=O)cc1OC 4089511 LRECMRHVYDJGNG-UHFFFAOYSA-N 411.454 3.295 0 40 HGAB biogenic Cc1c(Cl)cccc1N1CCCn2c1nc1c2c(=O)n(CC(C)C)c(=O)n1C 4249386 IKBXFUYRYQCBJI-UHFFFAOYSA-N 401.898 3.056 0 40 HGAB CC(=O)N1CCc2c(sc(NC(=O)Cc3cccc4ccccc34)c2C(N)=O)C1 4280403 NSLGXLYHGBYGLF-UHFFFAOYSA-N 407.495 3.086 0 40 HGAB C[C@H](Sc1nnc(-c2cccc(F)c2)n1N)C(=O)N[C@H]1CCCc2ccccc21 4876725 OVXOMOWHRKDCKF-UGSOOPFHSA-N 411.506 3.472 0 40 HGAB CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2ccccc2C(F)(F)F)n2ncnc2N1 4987206 OKGHPWRKHUJLOL-BLLLJJGKSA-N 408.380 3.308 0 40 HGAB CC(=O)c1cc2c(cc1NC(=O)COC(=O)Cc1c(F)cccc1Cl)OCO2 5508534 ZWUGJWUOWULRIS-UHFFFAOYSA-N 407.781 3.135 0 40 HGAB Cc1ccc(C)c(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCCC2)c1 5694631 HAIYEXNHSNXDCI-UHFFFAOYSA-N 401.532 3.406 0 40 HGAB CCOC(=O)c1ccc2c(c1)N[C@@H](CC(=O)Nc1cccc(OC)c1)C(=O)N2CC 5859659 AQTNTAIOQRGKTC-SFHVURJKSA-N 411.458 3.048 0 40 HGAB COC(=O)C1=C(C)N=c2s/c(=C\c3ccco3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 6237752 MJOUITLQYVHJFI-SQWSFHKJSA-N 422.506 3.125 0 40 HGAB CC(C)(C)C1CCC(C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)CC1 6266737 PECIBFIBQYFGJB-UHFFFAOYSA-N 408.564 3.499 0 40 HGAB CCCCNC(=O)COc1ccc(S(=O)(=O)Nc2ccc(OCC)cc2)cc1C 7361996 ZRQHOTDQELEQKE-UHFFFAOYSA-N 420.531 3.490 0 40 HGAB CCc1ccccc1N1C[C@@H](C(=O)O[C@H](C(=O)NC2CC2)c2ccccc2)CC1=O 7504881 XMYCYPAMXCPYMF-AVRDEDQJSA-N 406.482 3.165 0 40 HGAB CCN1CCC(NC(=O)c2ccc(S(=O)(=O)Nc3cccc(C)c3C)cc2)CC1 7776958 QOOCAFCIMNRIJZ-UHFFFAOYSA-N 415.559 3.318 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(C)n(C(C)C)c3C)CC2)c(C)c1 8378955 BNORLQPFUVGMQN-UHFFFAOYSA-N 417.575 3.449 0 40 HGAB O=C(NCc1ccc(Cl)c(Cl)c1)[C@H]1CCCN(c2ncnc3[nH]cnc23)C1 9060282 JFRBAEFHVBXVAC-LBPRGKRZSA-N 405.289 3.193 0 40 HGAB COc1ccccc1OCc1nnc(SCC(=O)N2CCc3ccccc3C2)n1C 9263550 QFTKVRAKLYECSM-UHFFFAOYSA-N 424.526 3.080 0 40 HGAB O=S(=O)(Nc1cc(Cl)ccc1-n1cncn1)c1cccc(Br)c1 9464897 WYKNZNQOLPNFTB-UHFFFAOYSA-N 413.684 3.484 0 40 HGAB O=C1CCCN1c1ccc(CC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1 9512199 OTYDDCFUWQHRPM-FQEVSTJZSA-N 406.482 3.491 0 40 HGAB COc1ccc(C)cc1S(=O)(=O)N1CCC[C@H](C(=O)NCc2ccc(C)cc2)C1 9974722 HPWCGTCXKXVSFU-IBGZPJMESA-N 416.543 3.029 0 40 HGAB CC1CCC2(CC1)NC(=O)N(CC(=O)Nc1ccccc1OCC(F)(F)F)C2=O 10115858 PHTLBHHKVGEYNI-UHFFFAOYSA-N 413.396 3.067 0 40 HGAB O=C(CNc1ccccc1Br)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1 10186181 SZCMROLGIFYDLN-HNNXBMFYSA-N 423.332 3.081 0 40 HGAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1cccc(NS(C)(=O)=O)c1C 10315105 PNFDSHHJNKWPNT-CYBMUJFWSA-N 403.504 3.147 0 40 HGAB Cc1ccc(C)c(N([C@@H](C)C(=O)NCCSc2ccccc2)S(C)(=O)=O)c1 10433972 GDXZRDAKAHQVTA-KRWDZBQOSA-N 406.573 3.366 0 40 HGAB Cn1c(=O)n(CCC(=O)Nc2ccc(NC(=O)c3ccco3)cc2)c2ccccc21 10875325 QIZLCBPZFTZFDS-UHFFFAOYSA-N 404.426 3.214 0 40 HGAB Cc1noc(C)c1CSc1ccccc1C(=O)OCC(=O)NC[C@@H]1CCCO1 11522116 XMBHHAKXYFLESH-HNNXBMFYSA-N 404.488 3.036 0 40 HGAB Cc1cc(C(=O)N2CCC3(CC2)C[C@@]2(CO3)Nc3ccccc3-n3cccc32)on1 12086210 DCWHLTWULIMXQD-QHCPKHFHSA-N 404.470 3.490 0 40 HGAB CCc1cc(C(F)(F)F)n2nc([C@@H]3CCCCN3C(=O)Cn3ccnc3)cc2n1 12087917 OQPVZDYBMYGISA-HNNXBMFYSA-N 406.412 3.261 0 40 HGAB O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cc2c(F)cccc2s1 13029096 GMEHILFIGIJMEJ-UHFFFAOYSA-N 420.487 3.314 0 40 HGAB CCn1ccnc1N1CCN(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC1 13694495 WAEMDVQEBDUCMC-UHFFFAOYSA-N 415.847 3.336 0 40 HGAB COc1ccc(-c2cc(=O)n(CC(=O)N3CCC(Cc4ccccc4)CC3)cn2)cc1 13807115 ROCLBMPGLAFCBU-UHFFFAOYSA-N 417.509 3.400 0 40 HGAB COc1cc(NC(=O)[C@H](C)Sc2nnc(NC[C@@H]3CCCO3)s2)cc(OC)c1 14676468 HSRIJTQQVBMGAY-AAEUAGOBSA-N 424.548 3.266 0 40 HGAB CCOc1ccc(NC(=O)[C@H](CC(C)C)N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1OC 18833358 UDXLSOKDQGPVSA-BZSNNMDCSA-N 414.502 3.398 0 40 HGAB NC(=O)[C@@]1(Cc2cccc(-c3ccncc3)c2)CN(C(=O)CC2CCCCC2)CCO1 19331761 ZUPHMBASFDLKMZ-RUZDIDTESA-N 421.541 3.344 0 40 HGAB CC1(C)[C@H]2CC[C@]1(C)C(=O)N(CC(=O)N1CCC(Oc3cccc(F)c3)CC1)C2=O 19460803 ODMNXIBQVWOQBX-FDDCHVKYSA-N 416.493 3.007 0 40 HGAB Cc1nn(C)cc1-c1csc(NC(=O)CCn2c(=O)oc3cc(Cl)ccc32)n1 19661537 NGABZIRGJKQBRW-UHFFFAOYSA-N 417.878 3.442 0 40 HGAB Cc1ccccc1OCCN1C(=O)CCc2c(C)nc(CN(C)C(=O)C(C)(C)C)nc21 19698646 HXJAFBLYOLZWEU-UHFFFAOYSA-N 424.545 3.456 0 40 HGAB COc1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2C)C1 19857847 MVOSKKXYNNQUOX-QGZVFWFLSA-N 402.516 3.184 0 40 HGAB C[C@@H](NC(=O)CN(C1CCCCC1)S(C)(=O)=O)c1ccc(Br)cc1 20013265 KZQNYFZZCAOCFZ-CYBMUJFWSA-N 417.369 3.221 0 40 HGAB CC/C(NCCCN1CCCCC1)=C1/C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O 20291485 YBROXGMSEDEQDW-ISLYRVAYSA-N 418.925 3.053 0 40 HGAB COC(=O)c1cccc(NS(=O)(=O)c2ccc(N3CCCC3=O)c(C)c2)c1C 20456660 NURDOPMBIVVGEY-UHFFFAOYSA-N 402.472 3.018 0 40 HGAB CCCCn1c(N)c(N(CC)Cc2c(C)cc(C)c(C(C)=O)c2C)c(=O)[nH]c1=O 21387329 YLRBILYSCMLBAQ-UHFFFAOYSA-N 400.523 3.073 0 40 HGAB CCCC(=O)NC(=S)Nc1cc(Cl)ccc1N1CCN(C(=O)CCC)CC1 21577556 ZCLBUJFIRCSQAW-UHFFFAOYSA-N 410.971 3.402 0 40 HGAB O=C(OCc1cc2c(cc1Br)OCCO2)c1cc2ccccc2c(=O)[nH]1 21591629 UANVURXLJPDGCO-UHFFFAOYSA-N 416.227 3.419 0 40 HGAB COc1cc(C)c(CN2CCN(C(=O)CSc3nc(C)cs3)CC2)cc1OC 23014934 ZWSTZYHYUVVABS-UHFFFAOYSA-N 421.588 3.214 0 40 HGAB Cc1ccc(NC(=O)CCNC(=O)C(C)(C)C)cc1S(=O)(=O)N1CCCCCC1 25047915 BBMBAAHZJZHDEF-UHFFFAOYSA-N 423.579 3.051 0 40 HGAB COC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(Br)cc2F)c1 28196558 MVBGEZSBXBVQAB-UHFFFAOYSA-N 402.241 3.484 0 40 HGAB COc1cc2ncn(CCC(=O)Nc3nc4ccccc4s3)c(=O)c2cc1OC 32095207 QTAWWPXOIMXWCT-UHFFFAOYSA-N 410.455 3.052 0 40 HGAB CC(C)(C)c1cc(NC(=O)CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)n(-c2ccc(F)cc2)n1 40088028 BPTZJCWJLQCMCG-IAGOWNOFSA-N 424.476 3.199 0 40 HGAB CN(C(=O)CN1C(=O)N[C@@](C)(c2cccc(C(F)(F)F)c2)C1=O)C1CCCCC1 40116835 RYYVYABZDXUNLU-IBGZPJMESA-N 411.424 3.264 0 40 HGAB C[C@@H](C(=O)NCc1ccc(F)cc1)S(=O)(=O)Cc1cccc(C(F)(F)F)c1 44639421 OEJUCHZEIICCIA-LBPRGKRZSA-N 403.397 3.464 0 40 HGAB CS(=O)(=O)Nc1ccc(Cl)c(C(=O)NCc2ccc(CN3CCCC3)cc2)c1 44872778 GXESVJGWGUSLAI-UHFFFAOYSA-N 421.950 3.237 0 40 HGAB Cc1cc(N2CCSCC2)ccc1NS(=O)(=O)c1cc(C(=O)O)ccc1C 50534765 PEJAZMKQASAHLZ-UHFFFAOYSA-N 406.529 3.356 0 40 HGAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1cccnc1Nc1ccc(Cl)c(Cl)c1 56389357 HNPPLKXTDQSSDI-LLVKDONJSA-N 400.287 3.049 0 40 HGAB O=C(Cn1cccc1-c1nc(-c2ccc(F)cc2)no1)NCc1ccc2c(c1)OCO2 57486656 YWGUAVLWPHVYMW-UHFFFAOYSA-N 420.400 3.389 0 40 HGAB CCOC(=O)c1ccccc1NC(=O)Cn1c(Nc2cccc(F)c2)nc(C)cc1=O 57506202 MNYZOHNVMYFWHR-UHFFFAOYSA-N 424.432 3.250 0 40 HGAB Cc1ccc(S(=O)(=O)NC[C@H]2CCCN(C(=O)/C=C/c3ccc(C)o3)C2)cc1 58266777 FNWAMSRBQLBZMS-ZPHJMFTNSA-N 402.516 3.127 0 40 HGAB Cc1c(C)c(C)c(S(=O)(=O)N2CCNC(=O)C[C@@H]2c2ccccc2)c(C)c1C 65487987 ORJFCVIEKIMGTM-HXUWFJFHSA-N 400.544 3.481 0 40 HGAB CC(C)(C)c1ccc(NC(=O)c2cc(S(=O)(=O)N3CCSCC3)c[nH]2)cc1 72040529 UBCCJGJFBWWRGZ-UHFFFAOYSA-N 407.561 3.302 0 40 HGAB Cc1cccc(Cc2cc(C)nc([C@H]3CCCN(C(=O)CCn4cnnn4)C3)c2)c1 72354057 KGEQEUUOFSXEPS-NRFANRHFSA-N 404.518 3.072 0 40 HGAB O=C(/C=C/c1ccccc1Cl)NCCn1nc(C2CC2)n(-c2ccccc2)c1=O 77100613 JXTIWCMDIYWKCQ-OUKQBFOZSA-N 408.889 3.394 0 40 HGAB CC(C)n1nc(O)c2c(-c3ccc(Br)s3)c3c(nc21)[nH]c(=O)n3C 79475406 ZEWJLBLPTCNADF-UHFFFAOYSA-N 408.281 3.389 0 40 HGAB O=C(N[C@H](c1ccc(Br)cc1)C1CCC1)c1cnc2n(c1=O)CCS2 84392690 SRTARRGFRRGARZ-HNNXBMFYSA-N 420.332 3.383 0 40 HGAB CCOc1c(Cl)cc(C(=O)Nc2ccc(C(=O)NCCCO)cc2)cc1OC 89988737 CJTZAGRRNBLFRN-UHFFFAOYSA-N 406.866 3.112 0 40 HGAB COC(=O)N[C@@H](C(=O)N1CCCN(c2ccc(Cl)c(Cl)c2)CC1)C(C)C 95453077 SYHZKOKDSZSOGO-MRXNPFEDSA-N 402.322 3.413 0 40 HGAB O=C(Nc1nc(-c2cccnc2)cs1)N1CCN(c2cc(Cl)ncn2)CC1 95986300 YFTHPMBQDBXRCV-UHFFFAOYSA-N 401.883 3.003 0 40 HGAB CCN1C[C@H]2C3(CCN(C(=O)c4cccs4)CC3)CC[C@@]2(C(=O)N2CCCC2)C1 96036329 AYNMIBHOZIQZST-WMZHIEFXSA-N 415.603 3.325 0 40 HGAB O=C(CCCNC(=O)c1cnccn1)N[C@@H]1CCCc2c1[nH]c1ccc(Cl)cc21 96117640 RXDSSFASUJXVBQ-QGZVFWFLSA-N 411.893 3.315 0 40 HGAB COc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC(=O)Cn1ncc2ccccc2c1=O 96224244 VREKLIRUHAWPIK-HXUWFJFHSA-N 402.454 3.080 0 40 HGAB COc1ccc(S(=O)(=O)C2CN(C(=O)Nc3ccc(C(F)(F)F)cc3)C2)cc1 96378131 RTEUQAATCMMAHW-UHFFFAOYSA-N 414.405 3.404 0 40 HGAB C[C@@H](c1cccc(N2CCOC2=O)c1)N1CCN(Cc2cn3ccccc3n2)CC1 97165348 GLURAXWGFHBTMA-SFHVURJKSA-N 405.502 3.170 0 40 HGAB COC(=O)c1c(N2C(=O)[C@H]3ON=C(c4ccccc4Cl)[C@H]3C2=O)sc(C)c1C 101199407 GMQQVSUQIRXXOD-HIFRSBDPSA-N 418.858 3.097 0 40 HGAB COc1ccccc1CNC(=O)c1c(O)c2cccnc2n(-c2ccccc2)c1=O 101301779 PJUPSLQFUKDOAJ-UHFFFAOYSA-N 401.422 3.030 0 40 HGAB COc1ccc(OC)c(NC(=O)c2ccc(N3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4C3)cc2)c1 104625670 LOVGBFOIJTVHGM-PBFVBANWSA-N 418.449 3.268 0 40 HGAB COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)c(C)c1C 223900810 VIQHBQWYVIUJRM-INIZCTEOSA-N 418.515 3.022 0 40 HGAB CCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)COc1ccccc1OC 224847821 GDBDLTJZULKGOR-INIZCTEOSA-N 402.466 3.157 0 40 HGAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2ccc3sncc3c2)cc1 226046654 GEUQYMWFANHPDO-UHFFFAOYSA-N 419.528 3.344 0 40 HGAB Cc1cccc(C[C@@H]2CCCN(C(=O)c3ccccc3OCCN3CCCC3=O)C2)n1 257269131 MOSAFGMAZOPPNT-FQEVSTJZSA-N 421.541 3.486 0 40 HGAB CCN(C(=O)c1c[nH]nc1C1CCN(C(=O)CN2CCCCC2)CC1)c1ccccc1 257284201 PBSKAAWHYGMNLM-UHFFFAOYSA-N 423.561 3.268 0 40 HGAB CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N[C@H](C)c1ccccc1OC 260841331 NVTJHYMQPRLEEI-BEFAXECRSA-N 420.531 3.126 0 40 HGAB Cc1ccc(C)c(N([C@H](C)C(=O)NCCOc2ccccc2Cl)S(C)(=O)=O)c1 260841738 CCNQGZUWDRDPCG-MRXNPFEDSA-N 424.950 3.307 0 40 HGAB CCOc1ccc(C=c2sc3nc(-c4ccc(F)cc4)nn3c2=O)cc1OCC 263627217 MKVVAPDTMCKIBN-UHFFFAOYSA-N 411.458 3.302 0 40 HGAB COCCN1CCCn2c(C(=O)NCc3ccc(C)cc3)c3ccccc3c2C1=O 306139581 TVHOMKKKPAAMTD-UHFFFAOYSA-N 405.498 3.372 0 40 HGAB Cc1ccc(C(=O)COC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1 408857341 UJCPRXGMYFOLKX-SFHVURJKSA-N 421.902 3.228 0 40 HGAB CCOc1ccc(N2C(=O)/C(=C/c3cc(OC)c(O)c(OC)c3)N(C)C2=S)cc1 409040137 XUHHYUVWDXMATD-YBEGLDIGSA-N 414.483 3.413 0 40 HGAB Cn1c(SCC(=O)Nc2ccccn2)nnc1-c1ccc(Br)cc1 409151148 GUMCGQXTPSPIRQ-UHFFFAOYSA-N 404.293 3.370 0 40 HGAB COC1(c2nc(C3CCOCC3)no2)CCN(Cc2cnc3cc(C)ccn23)CC1 583615861 FAIDNMWRKSEPKH-UHFFFAOYSA-N 411.506 3.057 0 40 HGAB O=C(Cc1cccc(F)c1F)N1CCC2(CCOC[C@H]2COc2cnccn2)CC1 585102947 JTIHNLXZPMOYBF-KRWDZBQOSA-N 417.456 3.022 0 40 HGAB CC(C)n1cc(CN2CC[C@H]3[C@@H]2CC(=O)N3Cc2ccc(-n3cccn3)cc2)cn1 585109041 PNPBGDXGLUKNCO-VXKWHMMOSA-N 404.518 3.025 0 40 HGAB CC(C)(C)C(=O)Nc1ccc(N2CCN(c3cc(C(F)(F)F)ncn3)CC2)cn1 1148897119 FIPSQBVEDZZPJZ-UHFFFAOYSA-N 408.428 3.202 0 40 HGAB Cc1ccc(Cc2c(F)cccc2Cl)c(CC(=O)OCC(=O)OCC(=O)O)c1 2060993144 MTWAWSRWJNTIFA-UHFFFAOYSA-N 408.809 3.092 0 40 HGAB CCOC(=O)CSc1nnc(CSc2cc(C)nc(N3CCCCC3)n2)o1 643183 FNKCASMWOGLYPP-UHFFFAOYSA-N 409.537 3.106 0 40 HGAB O=C(CN1C(=O)c2ccccc2S1(=O)=O)Nc1ccc(Oc2ccccc2)cc1 800531 GVHXUOVFVSSKOG-UHFFFAOYSA-N 408.435 3.262 0 40 HGAB CCOC(=O)C1=C(c2ccccc2)Nc2ncnn2[C@@H]1c1ccc(OC)cc1OC 803079 QNUKRYMSKBLVAK-HXUWFJFHSA-N 406.442 3.285 0 40 HGAB Cc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)Nc2ccc(O)cc2)cc1 949134 BKJDUOMYSXPYBJ-JOCHJYFZSA-N 422.506 3.455 0 40 HGAB CCOc1ccccc1NC(=O)COC(=O)[C@H]1CC(=O)N(c2ccc(C)cc2C)C1 1289395 GZULCEJYNFRMTQ-KRWDZBQOSA-N 410.470 3.237 0 40 HGAB CC(=O)Oc1ccc2cc(-c3cc(=O)oc4cc(OC(C)=O)ccc34)c(=O)oc2c1 2111433 YRFVSWGDCMHWFV-UHFFFAOYSA-N 406.346 3.417 0 40 HGAB biogenic CCOC(=O)CN(C(=O)CSc1nnc(-c2ccco2)o1)c1ccc(C)cc1 2181010 KTQZAMRULYCEOZ-UHFFFAOYSA-N 401.444 3.326 0 40 HGAB CC(C)OC(=O)c1ccc(N2C(=O)C(Cl)=C(Nc3ccccc3O)C2=O)cc1 2549573 HJYLKYXWOFHAHS-UHFFFAOYSA-N 400.818 3.393 0 40 HGAB CC(C)CC(=O)Nc1ccc(S(=O)(=O)N(C(=O)CC(C)C)c2ncccn2)cc1 2727949 DAJZWZVMGANEAJ-UHFFFAOYSA-N 418.519 3.229 0 40 HGAB Cn1nc(C(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)c2ccccc2c1=O 3327662 XYVKPEJLGCIIPO-UHFFFAOYSA-N 414.469 3.171 0 40 HGAB O=C(NCCN1C(=O)S/C(=C\c2ccc(OC(F)F)cc2)C1=O)c1ccco1 3556708 JWIKFEGJTSGFTL-UVTDQMKNSA-N 408.382 3.347 0 40 HGAB COC[C@H](C)n1c(SCCCn2c(=O)[nH]c3ccccc32)nc2ccccc2c1=O 3568186 VUQMUEQJLUZFOE-HNNXBMFYSA-N 424.526 3.429 0 40 HGAB CN(C(=O)CN1C(=O)N[C@](C)(c2ccc(Cl)cc2Cl)C1=O)c1ccccc1 3595111 VPDZADUHYNWXLM-LJQANCHMSA-N 406.269 3.423 0 40 HGAB CCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccccc3F)cc2)CC1 4121693 GOCXLGZRHLVTRW-UHFFFAOYSA-N 414.506 3.011 0 40 HGAB CN(C)c1ccc(NC(=O)CSc2nc3sc4c(c3c(=O)n2C)CCC4)cc1 4126949 PXUBBSJPMWBEED-UHFFFAOYSA-N 414.556 3.281 0 40 HGAB Cc1ccc(C)c(N(CC(=O)NC(C)(C)C)C(=O)CNC(=O)c2cccs2)c1 4861387 ZUIBCYXNEMVPAZ-UHFFFAOYSA-N 401.532 3.043 0 40 HGAB CCN1C(=O)c2cccc3c(NC(=O)CS(=O)(=O)c4ccc(F)cc4)ccc1c23 5190254 GRIBCLLXNWSQBN-UHFFFAOYSA-N 412.442 3.371 0 40 HGAB COc1cc(-c2nnc(COC(=O)Cc3ccc(F)cc3)o2)cc(OC)c1OC 5632998 VKAWOUFAGVIUGY-UHFFFAOYSA-N 402.378 3.187 0 40 HGAB C[C@@H](SCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)C(=O)NCc1ccco1 6651409 VGDUYBOQSCJBCN-LLVKDONJSA-N 403.529 3.395 0 40 HGAB COc1ccc(-c2nnc3n(CCCOC(C)C)c(=O)c4ccccc4n23)c(O)c1 6781269 HNUHSWGNAJZWIE-UHFFFAOYSA-N 408.458 3.241 0 40 HGAB O=C(COc1ccccc1Cl)N(Cc1ccccc1F)[C@H]1CCS(=O)(=O)C1 6811053 QLWBIRKOYIPFOT-HNNXBMFYSA-N 411.882 3.074 0 40 HGAB CSCC[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)N1CCC(C)CC1 6863399 JFRMTWDJDPDDRZ-FQEVSTJZSA-N 420.600 3.498 0 40 HGAB O=C(CSc1nnc(-c2cccnc2)n1C1CC1)N1CCN(c2ccccc2)CC1 6994545 JSBVJZPFPJBKJB-UHFFFAOYSA-N 420.542 3.116 0 40 HGAB Cc1ccccc1-c1n[nH]c(SCC(=O)N2CCN(c3ccccc3F)CC2)n1 7342023 CFRJOEPWDXDFAE-UHFFFAOYSA-N 411.506 3.360 0 40 HGAB COc1ccc(CNC(=O)COC(=O)c2ccccc2SC(F)F)cc1OC 7863830 DXDXCGDYWOUVCN-UHFFFAOYSA-N 411.426 3.492 0 40 HGAB COC(=O)c1c(NC(=O)Cn2c(=O)oc3ccccc32)sc2c1CCCCC2 8232416 LIQJBWFFYBGVPL-UHFFFAOYSA-N 400.456 3.350 0 40 HGAB CCC1(CC)NC(=O)N(CC(=O)N2c3ccccc3OC[C@@H]2c2ccccc2)C1=O 8273702 MTQCEXLRINSHSV-GOSISDBHSA-N 407.470 3.264 0 40 HGAB CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)c1ccc(S(C)(=O)=O)cc1 8294369 ATSOERHVHZPZGF-UHFFFAOYSA-N 415.298 3.108 0 40 HGAB O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCN(c2ccccc2F)CC1 8663445 GAVZFKKPULYQFT-UHFFFAOYSA-N 404.385 3.235 0 40 HGAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2OCC)cc1C 10301308 CKYPUKZMZCZGTE-UHFFFAOYSA-N 406.504 3.052 0 40 HGAB CCCn1c(O)nnc1SCC(=O)Nc1cc(C)nn1-c1cc(C)ccc1C 11651186 CWSDYNGYTQUTPS-UHFFFAOYSA-N 400.508 3.235 0 40 HGAB CC(=O)c1ccc(NC(=O)CSc2ncnc3c2nnn3-c2ccc(C)cc2)cc1 11758590 ORTTVWNQBSMMCL-UHFFFAOYSA-N 418.482 3.452 0 40 HGAB CC[C@@H]1Oc2ccc(C(=O)c3cccs3)cc2N(CC(=O)N[C@H](C)CC)C1=O 12242022 OHGUNZIVYYCIOD-CJNGLKHVSA-N 400.500 3.398 0 40 HGAB COc1ccc(OC)c(CNCc2cc3c(C)nn(-c4ccc(F)cc4)c3[nH]c2=O)c1 12290164 IRSBGUPBMPWQOO-UHFFFAOYSA-N 422.460 3.468 0 40 HGAB O=S(=O)(c1ccc(Cl)cc1)N1CCN(c2ccc(-c3cccs3)nn2)CC1 12443571 OERFSWPXINSOKO-UHFFFAOYSA-N 420.947 3.369 0 40 HGAB O=C(NCc1ccc(F)cc1)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 12737812 NAJDFLHWOVFZKU-CYBMUJFWSA-N 402.900 3.010 0 40 HGAB COc1cccc(CNC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)c1 12974787 GXIGWFMFQSBVGX-UHFFFAOYSA-N 410.495 3.450 0 40 HGAB CCOc1ccc(CCNC(=O)[C@@H]2CC(=O)N(Cc3ccc(C)cc3)C2)cc1OCC 13009318 MRPDEZLEWNCUQZ-OAQYLSRUSA-N 424.541 3.500 0 40 HGAB COc1ccc(Cl)cc1NC(=O)CN(C)CC(=O)NCc1cccc(Cl)c1 13095717 KKLCPGGKZJZNMY-UHFFFAOYSA-N 410.301 3.189 0 40 HGAB CCOc1cc(C(=O)O)cc(Cl)c1OS(=O)(=O)c1ccc(NC(C)=O)cc1 13463364 IJCYLQRSDWSSJH-UHFFFAOYSA-N 413.835 3.163 0 40 HGAB Cc1ccc(N2C(=O)C[C@H](Sc3ccc(NC(=O)/C=C/C(=O)O)cc3)C2=O)cc1C 13578903 PJCQVKWQDNRWSX-BBVFFXRHSA-N 424.478 3.307 0 40 HGAB O=C(NCCCN1CCCCCC1)c1cccc(NS(=O)(=O)c2ccccc2)c1 13674897 GURZHHTWQFDRBI-UHFFFAOYSA-N 415.559 3.483 0 40 HGAB COc1cc(C(=O)NCC(=O)Nc2c(C)cc(C)cc2C)cc(Br)c1O 14117004 QIRHKXKKXMVLDS-UHFFFAOYSA-N 421.291 3.457 0 40 HGAB COc1ccc(NC(C)=O)cc1S(=O)(=O)N(C)Cc1ccccc1N1CCCC1 15364017 GCLLFEJOHHPHSO-UHFFFAOYSA-N 417.531 3.075 0 40 HGAB Cc1cccc(NC(=O)CSCC(=O)NC2CCN(Cc3ccccc3)CC2)c1 15564595 MCQAEKQBIGZMSF-UHFFFAOYSA-N 411.571 3.448 0 40 HGAB COc1c(F)c(F)c(C(=O)NC(=S)Nc2ccc(NC(C)=O)cc2)c(F)c1F 17090241 AWVSHTQCNPNLPL-UHFFFAOYSA-N 415.368 3.337 0 40 HGAB Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1C(=O)C(=O)NCc1cccnc1 17169163 NGZAQSLWLXEXSN-UHFFFAOYSA-N 402.376 3.402 0 40 HGAB COc1ccccc1CC(=O)N[C@@H](Cc1cc(=O)[nH]c(C)n1)c1ccc(Cl)cc1 19285304 PUQXBJGIALGBSO-IBGZPJMESA-N 411.889 3.383 0 40 HGAB O=C(c1ncoc1-c1ccc(F)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 19336500 CRDLVGHRBUKQAD-UHFFFAOYSA-N 409.417 3.167 0 40 HGAB NC(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CCN(C(=O)COc2ccccc2)C1 19373392 RSJVPICLHOGJKB-RUZDIDTESA-N 415.493 3.074 0 40 HGAB CNc1ncc(CN2CCC[C@@H](c3cc(=O)[nH]c(-c4ccc(Cl)cc4)n3)C2)cn1 19592381 RDRVMKKSROLQGO-MRXNPFEDSA-N 410.909 3.302 0 40 HGAB O=c1c(CN2CCC(Oc3ccc(F)cc3)CC2)c(N2CCCC2)nc2ccccn12 19659047 LVSCYXGMKQVYGZ-UHFFFAOYSA-N 422.504 3.477 0 40 HGAB COc1ccc(CNC(=O)c2cnc(C)nc2[C@@H]2CCCN2C(=O)CC(C)C)cc1 19767277 KBIUDYAUPRLLFM-FQEVSTJZSA-N 410.518 3.433 0 40 HGAB CCOC(=O)c1c(NC(=S)N2CCCN(C(C)=O)CC2)sc2c1CCCC2 19797093 YUZLTRGZSDVBON-UHFFFAOYSA-N 409.577 3.055 0 40 HGAB CCN(CC(=O)N[C@@H]1CCCc2ccccc21)S(=O)(=O)c1cc(F)ccc1OC 20016003 YCCMEKIFHKWTHN-GOSISDBHSA-N 420.506 3.039 0 40 HGAB CCCOC(=O)C1=C(C)Nc2nnnn2[C@H]1c1cc(Br)ccc1OCC 20069186 JUTSCOCMTMIUNI-HNNXBMFYSA-N 422.283 3.076 0 40 HGAB CN(Cc1ccc(/C=C/C(=O)Nc2ccccc2C(F)(F)F)o1)S(C)(=O)=O 20449947 LNSJKHWJRZPKKA-MDZDMXLPSA-N 402.394 3.342 0 40 HGAB CCOc1ccc([C@@H](C)NC(=O)[C@@H](C)N(c2ccc(OC)cc2)S(C)(=O)=O)cc1 20450479 WAEBOSMNRMYOQA-HZPDHXFCSA-N 420.531 3.126 0 40 HGAB CC(=O)N[C@H]1CC[C@]2(C)CC[C@H]([C@H](C)C(=O)NCc3cccs3)[C@H](O)[C@H]2[C@@H]1C 20466185 AFEMXOUMFWXKAR-AHOWEJGSSA-N 406.592 3.328 0 40 HGAB biogenic,in-vitro Cc1nnc2ccc(N3CCC(C(=O)Nc4ccc(Br)cc4)CC3)nn12 20719083 FHBGDFAXGZNHTH-UHFFFAOYSA-N 415.295 3.050 0 40 HGAB COc1ccccc1CCNC(=O)c1nnc(-c2cccc(Br)c2)o1 20745606 BDULRZDVZHMGEG-UHFFFAOYSA-N 402.248 3.480 0 40 HGAB COc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2c(C)cccc2C)c1 22229734 CALMWIZBNVWLNR-SFHVURJKSA-N 402.516 3.412 0 40 HGAB COc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2cc(C)ccc2OC)c1 22229952 UJAKOGPWWUWNAB-SFHVURJKSA-N 418.515 3.112 0 40 HGAB CCOC(=O)C1CCN([C@H](c2cccc(C)c2)c2sc3nc(C)nn3c2O)CC1 22626252 XONRSEMPUHXCAA-QGZVFWFLSA-N 414.531 3.478 0 40 HGAB COCCn1c(S[C@@H](C)c2nc3ccccc3c(=O)[nH]2)nnc1-c1ccncc1 23631154 LCERWTJRMDAOFK-ZDUSSCGKSA-N 408.487 3.076 0 40 HGAB Cc1noc(C)c1S(=O)(=O)N(C)CC(=O)c1cc(C)n(Cc2ccccc2)c1C 24107147 SMXMWXVWRNGYRC-UHFFFAOYSA-N 415.515 3.261 0 40 HGAB Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)Nc2ccc(F)c(F)c2)CC1 24611365 FAUHYYDIPMNAJG-UHFFFAOYSA-N 408.470 3.454 0 40 HGAB O=C(CS[C@@H]1CCS(=O)(=O)C1)NCc1ccc(Oc2ccc(F)cc2)cc1 24767555 HTGCHVRNKZPBHK-GOSISDBHSA-N 409.504 3.155 0 40 HGAB NC(=O)[C@H]1C[C@@H](O)CN1c1nc(/C=C/c2ccccc2)nc2sc3c(c12)CCCC3 24770358 LOLRJOYQBCWZJL-GSSPJMICSA-N 420.538 3.165 0 40 HGAB CCOC(=O)C1CCN(C(=O)c2cnn(-c3ccc(Br)cc3)c2C)CC1 25347681 HFSQXJIMUWNQGA-UHFFFAOYSA-N 420.307 3.359 0 40 HGAB COc1ccc2cc(CN3c4ccc(S(N)(=O)=O)cc4C[C@H]3C)c(Cl)nc2c1 27556443 BHJNBLSUNBLYJW-GFCCVEGCSA-N 417.918 3.495 0 40 HGAB Cc1ccnc(NC(=O)Cn2nc(C(F)(F)F)c(Br)c2C2CC2)n1 27937423 VATWHSVOTNQEAX-UHFFFAOYSA-N 404.190 3.279 0 40 HGAB CCc1noc([C@H](C)N2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)n1 32755245 HPQPUHRMXYENSG-NSHDSACASA-N 419.334 3.006 0 40 HGAB O=C(NCc1ccccc1Cn1ccnc1)[C@@H]1CCCN(C(=O)c2cccs2)C1 32760310 FPZMRCCTGNMSAP-LJQANCHMSA-N 408.527 3.162 0 40 HGAB CCOCCCNC(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl 33131349 XJYHIWCFCKIECD-UHFFFAOYSA-N 402.944 3.061 0 40 HGAB Cn1c(SCc2nc(-c3ccc(F)cc3)no2)nc2cc3c(cc2c1=O)OCO3 33279707 HCWJYNWKDKREJG-UHFFFAOYSA-N 412.402 3.144 0 40 HGAB COC(=O)c1ccc(C(=O)NCCN2C(=O)S/C(=C/c3cccs3)C2=O)cc1 33527763 JBPJXKDRQLOTIR-RVDMUPIBSA-N 416.480 3.001 0 40 HGAB C[C@H]1CCCN(c2nnc(S[C@H](C(N)=O)c3ccccc3)n2Cc2ccco2)C1 34872086 RDKBTNCGZXYGAZ-YJBOKZPZSA-N 411.531 3.474 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NCCCOC2CCCCC2)cc1 36625186 YRTWAGBGEHLIIH-FQEVSTJZSA-N 408.564 3.004 0 40 HGAB O=C(CSc1nc2ccccc2o1)N1CCN(Cc2nc3ccccc3[nH]2)CC1 36705913 WAELVXQWOLLCDP-UHFFFAOYSA-N 407.499 3.141 0 40 HGAB Cc1cccc(-c2noc(CN(Cc3cccs3)[C@H]3CCS(=O)(=O)C3)n2)c1 40088717 XWYFUSCIDMWNGH-INIZCTEOSA-N 403.529 3.296 0 40 HGAB CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1csc(-c2ncccn2)n1 40146549 DJHZURRUIZTNRW-UHFFFAOYSA-N 421.404 3.330 0 40 HGAB CCN1CCN(Cc2ccc(CNC(=O)CCCc3nc4ccccc4[nH]3)cc2)CC1 48324845 XCTFYXCSPKGOOG-UHFFFAOYSA-N 419.573 3.340 0 40 HGAB C[C@H](Sc1nnc(C2CC2)n1Cc1ccco1)C(=O)Nc1sccc1C(N)=O 48342526 XSUBKBSOYPAZPE-JTQLQIEISA-N 417.516 3.077 0 40 HGAB O=C(Cn1nc(-c2ccc(Br)cc2)ccc1=O)N1CCc2ccccc2C1 49548793 GRYZFGRSVJQFPE-UHFFFAOYSA-N 424.298 3.258 0 40 HGAB O=C(NCC1(c2ccc(F)cc2)CCOCC1)[C@H]1CC(c2cccc(F)c2)=NO1 56251393 JCIAHLMXDMRCAO-HXUWFJFHSA-N 400.425 3.322 0 40 HGAB C[C@H](NCC(=O)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1)c1ccccc1Cl 57650871 PJCSYQZAURAILA-DOTOQJQBSA-N 406.935 3.211 0 40 HGAB CCN(CC)C(=O)c1cnc(N(C)C)nc1-c1ccc(CNC(=O)C2CCCC2)cc1 57774275 JOUZPMPSQQVMQI-UHFFFAOYSA-N 423.561 3.498 0 40 HGAB CCOC(=O)c1cnn(-c2ccc(NC(=O)NC[C@H]3Cc4ccccc4O3)cc2)c1C 58110021 ZGNXVOODORFSRC-LJQANCHMSA-N 420.469 3.483 0 40 HGAB Cc1ccc(NC(=O)Cn2nc3cc(-c4ccccc4)nc(C)n3c2=O)cc1Cl 67226652 RDRXUXJNSPCTLE-UHFFFAOYSA-N 407.861 3.467 0 40 HGAB CCN(CC)Cc1cccc(CNC(=O)[C@H](c2ccccc2)N2CCN(C)CC2)c1 69533588 ZKCJNESGLTUSJJ-DEOSSOPVSA-N 408.590 3.133 0 40 HGAB CCOc1ccccc1NC(=O)c1nnn(CC(=O)Nc2cccc(C)c2C)c1C 71327174 FYRPCBGGRYVKHI-UHFFFAOYSA-N 407.474 3.493 0 40 HGAB O=C(c1ccc(N2CCCS2(=O)=O)cc1)N1CC[C@H](CSc2ccccc2)C1 72303138 AGEGILRKQANECU-KRWDZBQOSA-N 416.568 3.481 0 40 HGAB O=C1c2ccccc2C(=O)N1CCCC(=O)N1CCC[C@@H]1c1nc2ccccc2[nH]1 72346756 HZUFZKMJTDTOHL-LJQANCHMSA-N 402.454 3.303 0 40 HGAB COc1ccccc1-c1nccnc1[C@H]1CCCN(CC(=O)Nc2nccs2)C1 72358600 QQEZWULIILIJDV-HNNXBMFYSA-N 409.515 3.427 0 40 HGAB CCOCCN(Cc1ccc(C(=O)O)o1)C(=O)c1nc(C2CC2)n(-c2ccccc2)n1 95424553 MLUVEWSCWXMKIS-UHFFFAOYSA-N 424.457 3.115 0 40 HGAB CN1CCN(C(=O)[C@H]2CC23CCN(C(=O)c2ccc(Oc4ccccc4)o2)CC3)CC1 95464885 KTDDMRBISRHSPP-LJQANCHMSA-N 423.513 3.088 0 40 HGAB COC(=O)C[C@@H](c1cnn(C)c1C)c1oc(CSc2ccccc2)cc(=O)c1O 95480703 HTZFVTSLMUSWJQ-INIZCTEOSA-N 414.483 3.375 0 40 HGAB O=C(NC1CC1)c1cc(N2CCN(CCOc3ccccc3)CC2)nc2ccccc12 96009739 XKXGBFYTJRNAIP-UHFFFAOYSA-N 416.525 3.328 0 40 HGAB COc1ccccc1OCCN1C[C@H](C(=O)Nc2cccc3c2ccn3C)CC1=O 96232752 PAXFKYFWVAHARK-MRXNPFEDSA-N 407.470 3.053 0 40 HGAB CC(C)CS(=O)(=O)C1CCN(C(=O)CSc2nc3ccccc3s2)CC1 96374581 HBJUTLIGVRLIAU-UHFFFAOYSA-N 412.602 3.450 0 40 HGAB Cn1ccnc1C1(O)C[C@@H]2CC[C@@H](C1)N2CC(=O)Nc1cccc(Cl)c1Cl 100127916 YEBPCIMZGRWEOD-STQMWFEESA-N 409.317 3.180 0 40 HGAB CC(C)COC(=O)[C@@H]1C(=O)C[C@@](C)(O)[C@H](C(=O)OCC(C)C)[C@@H]1c1ccccc1 101047752 BRGRVHJIWQXPQK-ISHFTEKXSA-N 404.503 3.125 0 40 HGAB O=C(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)Nc1ccc(-c2cn3ccsc3n2)cc1 102905033 HAPZZXOZCIPPCB-CALCHBBNSA-N 420.494 3.343 0 40 HGAB COc1ccc(OC)c(NC(=O)c2cccc(S(=O)(=O)N3CCC(C)CC3)c2)c1 219994320 BKWQJLZYSUUHQO-UHFFFAOYSA-N 418.515 3.377 0 40 HGAB CNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CSCc1ccc(C)cc1 222826873 WBCJEEIVVANPOT-KRWDZBQOSA-N 400.544 3.400 0 40 HGAB CC(C)c1ccccc1OCCNS(=O)(=O)c1ccc2c(c1)sc(=O)n2C 223838072 HSPZKCDOJITNDG-UHFFFAOYSA-N 406.529 3.081 0 40 HGAB Cc1ccccc1N(C)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2C(N)=O)c1 224125852 TWZXUKBFIODFOE-UHFFFAOYSA-N 423.494 3.171 0 40 HGAB COCCCNC(=S)Nc1nc(N2CCC(C)CC2)cc(N2CCC[C@@H](C)C2)n1 225900997 ROYHBDDEDLYKKL-QGZVFWFLSA-N 420.627 3.272 0 40 HGAB Cc1cccc(CNC(=O)CN(Cc2ccc(Cl)c(Cl)c2)S(C)(=O)=O)c1 226063088 QQHYOXSYHDZCQF-UHFFFAOYSA-N 415.342 3.380 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3cccc(C)c3)CC2)cc1C 226080503 UAWJNLPWVBFRIG-UHFFFAOYSA-N 416.543 3.029 0 40 HGAB CC1=C2C[C@@H]3[C@H](C[C@]2(C)CCC1)OC(=O)[C@H]3CN1CCN(C(=O)c2ccco2)CC1 248339900 UFAAOAUAAMIQQW-RWTJRTBCSA-N 412.530 3.496 0 40 HGAB O=C(c1cc(-c2ccccc2)on1)N1CC[C@H](c2ccccc2F)S(=O)(=O)CC1 390828949 CIPQCYOPVYNRSD-HXUWFJFHSA-N 414.458 3.483 0 40 HGAB CCCCNS(=O)(=O)c1ccc(OCC(=O)N[C@H](C)CCc2ccccc2)cc1 408582918 FYHNCRIYIJJMMY-GOSISDBHSA-N 418.559 3.281 0 40 HGAB COc1ccc(NS(=O)(=O)c2ccc(NC(=O)N3CCCC3)cc2)c(OC)c1 408591941 MJHMJLYPSDYOED-UHFFFAOYSA-N 405.476 3.132 0 40 HGAB CCCNS(=O)(=O)c1ccc(OCC(=O)NCc2ccc(Cl)cc2)c(C)c1 408616700 APMSTFBJKXPNPS-UHFFFAOYSA-N 410.923 3.032 0 40 HGAB C[C@@H]1c2nc(CC(=O)NCc3ccco3)cn2CCN1C(=O)c1cc2ccccc2[nH]1 585097040 FAXJNZIHRCKDTG-OAHLLOKOSA-N 417.469 3.033 0 40 HGAB Cn1nccc1C(=O)N1CCC[C@]2(CCCCCOc3ccccc3C(=O)NC2)C1 643559510 MVPSEXANWHEPAQ-QHCPKHFHSA-N 410.518 3.025 0 40 HGAB Cc1ccc(-c2ocnc2C(=O)NCc2nnc3n2CC[C@@H](C(F)(F)F)C3)cc1 1558354104 QXJSUGFXBUWDEA-CYBMUJFWSA-N 405.380 3.296 0 40 HGAB Cc1nc2ccccc2c(=O)n1CC1CCN(C(=O)Cc2ccc(F)cc2F)CC1 1848599519 CFKNXCPBHITMMV-UHFFFAOYSA-N 411.452 3.464 0 40 HGAB CN(Cc1ccccn1)C(=O)C1=NO[C@]2(CCCN(C(=O)CC3=CCCCC3)C2)C1 2055834962 LEAOGMKVHVBUQO-HSZRJFAPSA-N 410.518 3.068 0 40 HGAB COc1ccc(-n2nnnc2SCC(=O)Nc2cccc(C(F)(F)F)c2)cc1 882801 XFFXCAYYBZBFCA-UHFFFAOYSA-N 409.393 3.421 0 40 HGAB O=C(CSc1nc2ccccc2c(=O)n1C[C@H]1CCCO1)OCc1ccccc1 933532 VNYSHJYBACHNRY-QGZVFWFLSA-N 410.495 3.411 0 40 HGAB CC1=C(C(N)=O)[C@@H](c2ccc(Cl)cc2)N2NC(c3ccccc3Cl)=NC2=N1 940691 UQWHAKFQCODVQG-MRXNPFEDSA-N 400.269 3.430 0 40 HGAB COc1ccc2[nH]c3c(c2c1)CCN1C(=O)N(c2ccc(C(=O)O)cc2)C(=O)[C@@]31C 2110829 FCLKCJJMGRWDDZ-JOCHJYFZSA-N 405.410 3.115 0 40 HGAB biogenic COCCOC(=O)c1c(C)oc2ccc(OS(=O)(=O)c3ccc(F)cc3)cc12 2242343 HLQWPADNRZKXHP-UHFFFAOYSA-N 408.403 3.451 0 40 HGAB biogenic Cc1cc(Br)ccc1NC(=O)CSc1nnc(-c2ccccc2)n1N 2422131 QJVXYLNOOASUNO-UHFFFAOYSA-N 418.320 3.461 0 40 HGAB COc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cccs3)C2)cc1Cl 2467706 XFFRYPJOFDPQSR-LBPRGKRZSA-N 414.936 3.450 0 40 HGAB CSc1nnc(NC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)s1 2700555 KVXHQNJIEFFGRG-UHFFFAOYSA-N 412.562 3.077 0 40 HGAB c1ccc(Cn2ccc(Nc3nnc(Cc4ccc(-n5cnnn5)cc4)s3)n2)cc1 2731376 XVGRLENSAGVWEW-UHFFFAOYSA-N 415.486 3.093 0 40 HGAB O=C(O)[C@@H](Cc1ccc(Cl)cc1)NS(=O)(=O)c1cccc(C(F)(F)F)c1 3050898 DVKJCOIVOBGJKD-CQSZACIVSA-N 407.797 3.333 0 40 HGAB COc1ccc(-c2nnc(SCC(=O)Nc3cc(Cl)ccc3OC)n2N)cc1 3406339 STJUXJOPKLVHCX-UHFFFAOYSA-N 419.894 3.060 0 40 HGAB COc1ccc(/C=C2/SC(=O)N(CCNC(=O)c3ccccc3F)C2=O)cc1 3561648 FFPHXQWIUBUKKF-SFQUDFHCSA-N 400.431 3.301 0 40 HGAB CC[C@H](c1nnc(SCC(=O)N2CCCCC2)n1Cc1ccccc1)N(C)C 4494594 AHXHUYONLCRONS-GOSISDBHSA-N 401.580 3.444 0 40 HGAB COC(=O)COc1ccccc1/C=C1/C(=O)N(c2ccc(Cl)cc2)C(=S)N1C 4498501 XFYCYJHAVKHZFE-WJDWOHSUSA-N 416.886 3.496 0 40 HGAB O=C(COc1ccccc1Cl)NC(=S)Nc1ccccc1N1CCOCC1 4688546 TWUZZHVWUGBLIO-UHFFFAOYSA-N 405.907 3.069 0 40 HGAB CCn1c(COc2ccc(OC)cc2)nnc1S[C@H](C)C(=O)Nc1nccs1 4814638 BELWGZGKKWHGSR-GFCCVEGCSA-N 419.532 3.461 0 40 HGAB Cc1ccc(N(CC(=O)NC(C)(C)C)C(=O)CCC(=O)Nc2nccs2)c(C)c1 4848348 QOCSZGXHYYXLGR-UHFFFAOYSA-N 416.547 3.427 0 40 HGAB CCOC(=O)CSc1nnc2c3c4c(sc3nc(CC)n12)COC(C)(C)C4 5024581 SZBLZLQEGDJBPJ-UHFFFAOYSA-N 406.533 3.408 0 40 HGAB CCOc1ccc(NC(=O)CSc2nnc(-c3cccc(OCC)c3)n2N)cc1 5047161 KHFWOSQONIMNAM-UHFFFAOYSA-N 413.503 3.187 0 40 HGAB COc1cccc(N2C[C@@H](NC(=O)Nc3cccc(Br)c3)CC2=O)c1 5189600 KHKOITCTWDPRRH-AWEZNQCLSA-N 404.264 3.385 0 40 HGAB CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)O[C@@H](C)C(=O)c2ccc(F)cc2)cc1 5915216 JPXNKZWBHGLCDO-KBPBESRZSA-N 407.463 3.331 0 40 HGAB COc1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2C)cc1OC 6628168 ANOKWQHXGFGABQ-UHFFFAOYSA-N 418.515 3.439 0 40 HGAB CCn1c(=S)sc2c(=O)n(CC(=O)Nc3ccc(C(C)=O)cc3)c(C)nc21 6669440 PEXKDXWDYYHHFX-UHFFFAOYSA-N 402.501 3.159 0 40 HGAB Cc1cccc(-c2noc(CN(C)C(=O)CCCN3C(=O)c4ccccc4C3=O)n2)c1 7759968 JFKZIPOPDRIVJR-UHFFFAOYSA-N 418.453 3.080 0 40 HGAB CCNC(=O)COc1ccc([C@@H]2Nc3ccccc3C(=O)N2C2CC2)cc1OCC 8190401 MIIYIXJDKGSLNW-JOCHJYFZSA-N 409.486 3.329 0 40 HGAB Cc1occc1-c1nnc(SCC(=O)N[C@H](C)c2ccc3c(c2)OCCO3)o1 8573256 ODXANSNQHWJNED-LLVKDONJSA-N 401.444 3.379 0 40 HGAB O=S(=O)(NCc1ccccc1CN1CCCCC1)c1ccc2c(c1)OCCCO2 8719558 FZFAFDPRQSJWDT-UHFFFAOYSA-N 416.543 3.312 0 40 HGAB Cc1nc(S[C@H](C)c2ccc(F)cc2)c2c(=O)n(C)c(=O)n(CC(C)C)c2n1 8753411 VUMZPWKBBCLWGX-GFCCVEGCSA-N 402.495 3.447 0 40 HGAB C[C@H]1CCc2nc(NC(=O)[C@@H]3CCCN3S(=O)(=O)c3ccc(F)cc3)sc2C1 8895247 WEXMRRORIFHSMF-LRDDRELGSA-N 423.535 3.199 0 40 HGAB CC[C@@]1(C)Oc2ccc(NS(=O)(=O)c3cc4oc(=O)n(C)c4cc3Cl)cc2O1 8973611 FQWUSWDBTHUJEA-SFHVURJKSA-N 424.862 3.483 0 40 HGAB O=C(CCc1nc(-c2ccsc2)no1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 9377105 PIXGHWVEZAOHFW-UHFFFAOYSA-N 423.498 3.237 0 40 HGAB O=C(COC(=O)c1cc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)ccc1O)c1ccc(F)cc1 9499700 KFPVJGGPRGYCEZ-IAGOWNOFSA-N 423.396 3.027 0 40 HGAB NC(=O)NC(=O)CSc1nc(-c2ccc(Br)cc2)nc2ccccc12 9741743 LENHYLDAYCERJL-UHFFFAOYSA-N 417.288 3.346 0 40 HGAB C=CCc1cc(C(=O)N2CCC(NC(=O)c3ccccc3)CC2)cc(OC)c1OC 10783204 BZYYLSKNEUXBAI-UHFFFAOYSA-N 408.498 3.467 0 40 HGAB CC(C)NC(=O)CN1c2ccc(Br)cc2-c2ccccc2S1(=O)=O 11121259 PUAPNHMIIARSGS-UHFFFAOYSA-N 409.305 3.149 0 40 HGAB CN(C)S(=O)(=O)c1ccc(C(=O)OCc2ccc(F)cc2Br)cc1 11239585 OVOBSIQDVSFMHV-UHFFFAOYSA-N 416.268 3.196 0 40 HGAB CCN1C(=O)[C@@H](c2ccc(F)cc2)C2(CCN(C(=O)Cc3cccs3)CC2)C1=O 12115853 NYTOVEFKNVGMSD-LJQANCHMSA-N 414.502 3.211 0 40 HGAB CC(=O)Nc1cccc(NC(=O)c2cc(N3CCCCS3(=O)=O)ccc2Cl)c1 12195817 LUYKOHNHPDRGQN-UHFFFAOYSA-N 421.906 3.481 0 40 HGAB Cc1noc(C)c1CCNC(=O)c1cc(-c2cccnc2)c(N2CCOCC2)s1 12222757 HFVIXBNCBCSYAI-UHFFFAOYSA-N 412.515 3.224 0 40 HGAB COc1cc(C(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)ccc1C 12819347 IDZZDXYNCRZWBF-HOTGVXAUSA-N 418.515 3.054 0 40 HGAB CSc1cccc(N2C[C@H](C(=O)O[C@H](C(=O)NC3CC3)c3ccccc3)CC2=O)c1 12943405 HNUPMLIFGFBNEV-IERDGZPVSA-N 424.522 3.325 0 40 HGAB CN1CCCc2cc(CCNC(=O)C(=O)Nc3ccc(C(F)(F)F)cc3)ccc21 13006817 XZVDVTNBGQYTQS-UHFFFAOYSA-N 405.420 3.385 0 40 HGAB CC(=O)c1ccc(N2CCN(C(=O)[C@H](NC(=O)c3ccc(C)cc3)C(C)C)CC2)cc1 13070567 MEKVBPYBOSNBFR-HSZRJFAPSA-N 421.541 3.301 0 40 HGAB O=C(CCSc1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2ccccc2)CC1 13113329 IBPVQQJTLUCCGY-UHFFFAOYSA-N 424.975 3.355 0 40 HGAB C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2ccc(C(=O)O)cc2)cc1 13166941 UIBCWPQHQFISQP-CQSZACIVSA-N 402.472 3.200 0 40 HGAB CCCCN1C(=O)/C(=c2\sc3nc(-c4cccc(C)c4)nn3c2=O)c2ccccc21 13512792 CXBYHNDJSUEJSV-HNENSFHCSA-N 416.506 3.191 0 40 HGAB CC[C@@H](C(=O)N(C)Cc1ccc(OC)cc1)N(c1ccc(C)cc1)S(C)(=O)=O 13713960 FJOMFLNFWSADSJ-FQEVSTJZSA-N 404.532 3.207 0 40 HGAB O=S1(=O)CC[C@H](c2nn(CN3CCC(CCc4ccccc4)CC3)c(=S)o2)C1 14201266 SGVYPDSWDHOVEZ-SFHVURJKSA-N 421.588 3.410 0 40 HGAB Cc1ccc(C(=O)O[C@@H](C)C(=O)N2CC(=O)Nc3cc(C(F)(F)F)ccc32)c(O)c1 16791386 WJTCUUKPWPMZAU-NSHDSACASA-N 422.359 3.250 0 40 HGAB CCn1cc(NC(=O)c2cc(C)nc3c2c(C)nn3C(C)C)c(C(=O)NC(C)C)n1 17088938 PZIXKQWFXSXIKJ-UHFFFAOYSA-N 411.510 3.236 0 40 HGAB CCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3CC)cc1 17248307 YSEHVSXOQOLXNB-UHFFFAOYSA-N 401.488 3.135 0 40 HGAB COc1ccc(C(=O)N2CCC(Nc3nc(-c4ccsc4)cc(=O)[nH]3)CC2)cc1 19553058 CUDAZZOWHDCQAO-UHFFFAOYSA-N 410.499 3.224 0 40 HGAB CCn1ncc(-c2cc(C(=O)N3CCN(c4nc5ccccc5s4)CC3)on2)c1C 19665044 GLQQCBVTXDUDJV-UHFFFAOYSA-N 422.514 3.439 0 40 HGAB O=C1CCC[C@@H]2[C@H](C[C@H](c3ccccc3F)N2C(=O)c2ccc(-n3cccn3)nc2)N1 19713823 CXBPKAXMBSBODH-XUVXKRRUSA-N 419.460 3.031 0 40 HGAB Cc1c(-c2cc(C(=O)NC[C@@H](C(C)C)N3CCOCC3)c3ccccc3n2)cnn1C 19716486 ZGLIAIBOSXAJRB-QHCPKHFHSA-N 421.545 3.030 0 40 HGAB CCn1ccc(C(=O)N2CCC[C@@H](NC(=O)c3ccc(C(F)(F)F)nc3C)CC2)n1 19749417 LQKIYOSQWOHFFJ-CQSZACIVSA-N 423.439 3.050 0 40 HGAB O=C1c2oc3ccccc3c(=O)c2[C@@H](c2cccs2)N1CCCN1CCOCC1 20308062 ZLOYSAQLVOZAJG-LJQANCHMSA-N 410.495 3.122 0 40 HGAB CCOC(=O)[C@@H]1C(=O)N=C(N2CCc3ccccc3C2)N[C@@H]1c1ccc(SC)cc1 20636834 XFHNJKGNKCLCNB-VQTJNVASSA-N 423.538 3.173 0 40 HGAB C[C@@H](CCc1ccccc1)NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 20898490 AHAKYIOGIVPLQR-IBGZPJMESA-N 414.571 3.366 0 40 HGAB Cc1ccccc1-n1cnnc1S[C@H](C)C(=O)N1CCN(Cc2ccccc2)CC1 22373884 FQNMFKBYUPVVSS-LJQANCHMSA-N 421.570 3.401 0 40 HGAB Cc1ccc(-n2nnnc2CN2CCN(C(=O)c3ccc4ccccc4c3)CC2)cc1 23134635 KKVCFPVNCONDEU-UHFFFAOYSA-N 412.497 3.082 0 40 HGAB COC(=O)CCn1c(SCc2ccc(-n3cccn3)cc2)nc2ccccc2c1=O 24424987 LSKSNCLQUPVZMK-UHFFFAOYSA-N 420.494 3.438 0 40 HGAB C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@H]2[C@H](O)C[C@]2(C)[C@@H](c3ccc(=O)oc3)CC[C@]12O 27630287 FMTLOAVOGWSPEF-JNGZYDAYSA-N 402.531 3.213 0 40 HGAB biogenic,in-vitro Cc1cccc(CS(=O)(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)c1 30851271 FKFGDFPYZFGYRX-UHFFFAOYSA-N 417.512 3.133 0 40 HGAB COc1ccc([C@H](CNC(=O)NCc2ccc(NC(=O)C(C)C)cc2)N(C)C)cc1 30987179 VBSIEPMACPNTSG-NRFANRHFSA-N 412.534 3.392 0 40 HGAB Cc1nc(Cc2ccccc2)sc1C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 32913875 YIJKVNMERIMURK-CYBMUJFWSA-N 415.540 3.181 0 40 HGAB COc1ccc(S(=O)(=O)N[C@H](c2ccccc2)c2nccn2C)c2cccnc12 32932957 KFHFAOGCIQZMRN-LJQANCHMSA-N 408.483 3.045 0 40 HGAB Cc1cc(C(=O)NCCn2nc(C)cc2C)c2c(C)nn(Cc3ccccc3)c2n1 36616767 CAZZQWPZTYFYOF-UHFFFAOYSA-N 402.502 3.340 0 40 HGAB CCOC(=O)[C@H]1CCCN(C(=O)c2ccc(OCc3cscn3)c(OC)c2)C1 40069528 IODUOAFGXYCJNV-HNNXBMFYSA-N 404.488 3.146 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3[nH]c4ccccc4c3Cl)CC2)cc1 40144098 NBHAWTSNIIIMQB-UHFFFAOYSA-N 417.918 3.276 0 40 HGAB CC(C)NC(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)c1 40150861 HVNMKMHZGGBKIW-UHFFFAOYSA-N 421.906 3.164 0 40 HGAB CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NCC(C)(C)CN(C)C 49946136 PMHZKBOQPBINQX-MRXNPFEDSA-N 402.366 3.452 0 40 HGAB COc1ccc(Br)cc1S(=O)(=O)N[C@H](C)COc1ccccc1 56123109 OCERBWBONGCXTR-GFCCVEGCSA-N 400.294 3.204 0 40 HGAB Cc1ccc(C)c(NC(=O)CN(C)C(=O)CN2CCN(c3cccc(C)c3C)CC2)c1 57449665 FYFPXBHKCBTDPM-UHFFFAOYSA-N 422.573 3.139 0 40 HGAB Cc1cc(C)cc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)c1 62391422 WPRUWJPCJUDFEV-OAHLLOKOSA-N 400.862 3.492 0 40 HGAB Cc1ccc(NC(=O)CSc2nnc3c(=O)n(-c4ccccc4)ccn23)c(C)c1 64593451 NTMXSJWRISSSGM-UHFFFAOYSA-N 405.483 3.228 0 40 HGAB O=C(CN1N=C(C(=O)Nc2ccc(F)cc2)CCC1=O)Nc1ccc(Cl)cc1 65197804 MBXDGQMBSOPEHR-UHFFFAOYSA-N 402.813 3.035 0 40 HGAB O=C(c1ccc(-c2ccc3c(c2)OCCO3)s1)N1CCN(C[C@H]2CCCO2)CC1 69292075 MURVINHHRURTJU-QGZVFWFLSA-N 414.527 3.123 0 40 HGAB Nc1ccc(N2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)c(-n2cnnc2)c1 70461841 BCYHMUUGFVOVRO-UHFFFAOYSA-N 417.300 3.119 0 40 HGAB CCOc1ccc(NC(=O)c2nnn(CC(=O)Nc3cc(F)ccc3F)c2C)cc1 71327074 YCMORRLESFTCBA-UHFFFAOYSA-N 415.400 3.154 0 40 HGAB CC(=O)N1N=C(c2ccccc2NS(C)(=O)=O)C[C@H]1c1ccnc2ccccc12 71924245 OCDRVUBFBJTHMS-NRFANRHFSA-N 408.483 3.304 0 40 HGAB Cc1nn(C)cc1-c1cc(C(=O)N2CCC([C@@H]3CC(=O)c4ccccc4O3)CC2)no1 72336681 SRWRLNSOLYLDDH-NRFANRHFSA-N 420.469 3.270 0 40 HGAB CC(C)(C)[C@@H](NC(=O)COc1ccc2ccccc2c1)c1nc(-c2nc[nH]n2)no1 89642945 JRANUQWDMBRZIX-KRWDZBQOSA-N 406.446 3.290 0 40 HGAB C[C@@H](C(=O)NNc1c(Cl)cc(Cl)cc1Cl)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 95351774 MMSQWQTXKAUUIT-INTQDDNPSA-N 416.692 3.430 0 40 HGAB CNc1cc(C2CCN(C(=O)[C@H]3CC[C@H](OC)CC3)CC2)nc(-c2cccnc2)n1 100745501 SWCWPMUGFVFMLR-IZAXUBKRSA-N 409.534 3.492 0 40 HGAB CCN(CC(=O)Nc1cc(Cl)ccc1C)[C@@H]1CC(=O)N(Cc2ccccc2)C1=O 103006840 LAYRGEGJIIOJLB-LJQANCHMSA-N 413.905 3.237 0 40 HGAB O=C(Nc1cc(-c2nnc3n2CCCCC3)ccc1F)c1n[nH]c(=O)c2ccccc12 105723474 FRBIHVHZVFUBDT-UHFFFAOYSA-N 418.432 3.299 0 40 HGAB C[C@H](NC(=O)[C@H]1CCCCN1C(=O)c1ccco1)[C@H](O)c1c(F)cccc1Cl 107528901 MHYIRIXGIKETMY-PNPHSEOMSA-N 408.857 3.305 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC3(CC2)OC(=O)c2ccccc23)cc1Cl 211110569 JEDXSCGGZCBPEA-UHFFFAOYSA-N 407.875 3.199 0 40 HGAB CCn1c(Cl)nc2cc(C(=O)NCCC(=O)Nc3ccccc3OC)ccc21 222551428 YFIIJQIPQDBBSR-UHFFFAOYSA-N 400.866 3.477 0 40 HGAB C[C@@H](NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1)c1ccc2c(c1)CCC2 223230204 QXIAKKIQELEEBM-CQSZACIVSA-N 406.935 3.327 0 40 HGAB CC[C@@H](NS(=O)(=O)c1ccc(OC)c(N2C(=O)CCC2=O)c1)c1ccccc1C 224414373 ZYDBYUJRBCOBOF-QGZVFWFLSA-N 416.499 3.087 0 40 HGAB CCCO[C@@]1(C(=O)Nc2ccc(OCC(=O)N3CCOCC3)cc2)CCC[C@@H](C)C1 225662178 OJGCTXKIOFRHRA-JPYJTQIMSA-N 418.534 3.238 0 40 HGAB Cc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2ccc(N(C)S(C)(=O)=O)cc2)cc1C 225711708 FPZVVFHVWVZPAQ-DLBZAZTESA-N 404.532 3.344 0 40 HGAB C[C@H]1CCCCN1c1cc(N2CCCCC2)nc(NC(=S)NC[C@@H]2CCCO2)n1 225907243 WGWCSNZHPUSFJD-IRXDYDNUSA-N 418.611 3.311 0 40 HGAB Cc1c(Cl)cccc1NC(=O)C(=O)NC[C@@](O)(c1ccco1)c1cccs1 238822613 CZYQJQTYEFZLFG-LJQANCHMSA-N 404.875 3.294 0 40 HGAB COc1ncccc1NC(=O)c1nc([C@H]2CCCN2c2ncccn2)n2ccccc12 306133793 MWMHDIWHFBCTPW-QGZVFWFLSA-N 415.457 3.122 0 40 HGAB COc1ccc(C)cc1NC(=O)COc1ccc(S(=O)(=O)NC(C)C)cc1C 408532206 NNJUHDSPMNXYHS-UHFFFAOYSA-N 406.504 3.016 0 40 HGAB COC(=O)c1ccccc1NC(=O)CNC(=O)c1ccc(COc2ccccc2)o1 408562133 NCHWALWLGNFBBT-UHFFFAOYSA-N 408.410 3.014 0 40 HGAB O=C(COC(=O)c1cccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1)Nc1ccc(F)cc1 408655650 HXXZTCSYRYXEOE-OALUTQOASA-N 422.412 3.077 0 40 HGAB COc1cccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccc(C)cc3)[C@@H]2c2ccccc2)c1 409056016 DOWRTWURRWOJRY-AYHYUOJHSA-O 414.485 3.020 0 40 HGAB COc1cccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccccc3)[C@H]2c2ccc(C)cc2)c1 409060732 UNYMVJHZNZAQAA-WFZBXURCSA-O 414.485 3.020 0 40 HGAB O=C(N[C@@H]1CCc2cc(O)ccc2C1)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1 683509706 PVNDJRIXWACTEO-MRXNPFEDSA-N 405.903 3.026 0 40 HGAB Cc1nnc2ccc(N3CCC(COc4ccc5nc(C(C)(C)C)cn5n4)CC3)nn12 1888913486 ISVSOAVYXLVMPJ-UHFFFAOYSA-N 420.521 3.068 0 40 HGAB COc1cc2cc(C)c3nnc(SCC(=O)Nc4nccs4)n3c2cc1OC 877370 GGLPFXJOVVNTGP-UHFFFAOYSA-N 415.500 3.395 0 40 HGAB O=C(CSn1nnnc1-c1ccc(OC(F)(F)F)cc1)NCc1ccccc1 1075097 FDGZQVJGXRUHOG-UHFFFAOYSA-N 409.393 3.051 0 40 HGAB CCCn1c(SCC(=O)Nc2cccc(C(=O)OC)c2)nnc1-c1ccco1 1364373 PJJPATSJAJHACT-UHFFFAOYSA-N 400.460 3.466 0 40 HGAB CCOC(=O)C1=C(C)N(C)[C@]2(SC(C(=O)OC)=NN2c2ccc(C)cc2)S1 2170688 JDLSBTVMQFSZME-GOSISDBHSA-N 407.517 3.119 0 40 HGAB CCCN1C(=O)S[C@@H](CC(=O)Nc2ccc(I)cc2)C1=O 2244593 GEAMKDRJSUYSBG-NSHDSACASA-N 418.256 3.094 0 40 HGAB Cc1c(CC(=O)NC2CC(C)(C)NC(C)(C)C2)c(=O)oc2cc(O)c(Cl)cc12 5324960 SRUFWOPYQXXGIG-UHFFFAOYSA-N 406.910 3.428 0 40 HGAB C[C@@H]1CCCCN1C(=O)COC(=O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O 5569937 RZWSYKYVEBVLKJ-MRXNPFEDSA-N 420.465 3.041 0 40 HGAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)/C=C/c1ccc(OC)c(OC)c1 5578920 IQQXGZMODWKLEM-VQHVLOKHSA-N 401.415 3.160 0 40 HGAB CCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCOC)cc1OC 6892571 ZPEFPXJCKIEDCP-FQEVSTJZSA-N 409.438 3.392 0 40 HGAB COc1cccc(C(=O)Nc2nc(-c3nnn(-c4cccc(F)c4)c3C)ns2)c1 6914718 VHNNTSGUPDLRPZ-UHFFFAOYSA-N 410.434 3.494 0 40 HGAB Cc1ccc(N2C(=O)N(CC(=O)N(Cc3ccccc3F)C3CC3)C(=O)[C@@H]2C)cc1 7317392 GVFPLXOUIMPKAJ-INIZCTEOSA-N 409.461 3.482 0 40 HGAB O=S(=O)(Nc1cc(C(F)(F)F)ccc1-n1cncn1)c1cc(F)ccc1F 7421542 IDYCYNJSAQQHSS-UHFFFAOYSA-N 404.320 3.365 0 40 HGAB Cc1ccc(SCCNC(=O)CN2C(=O)[C@@H](C)N(c3ccc(C)cc3)C2=O)cc1 7822760 IDDKSKOIWNKRJK-QGZVFWFLSA-N 411.527 3.369 0 40 HGAB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(OC)c(Cl)c2)C1=O 8088168 UHCFCDQTQNOAAK-GZTJUZNOSA-N 413.861 3.442 0 40 HGAB COc1ccccc1[C@H](C)NC(=O)CCNC(=O)c1ccc(Br)cc1 8704534 PUAZYZUXZBBDKL-ZDUSSCGKSA-N 405.292 3.455 0 40 HGAB O=C(Cn1cc(Br)ccc1=O)N1N=C(c2ccco2)C[C@H]1c1ccco1 8735184 WAGRDQYQOGAWPX-AWEZNQCLSA-N 416.231 3.175 0 40 HGAB COc1ccc(-c2c(NCc3ccccc3)oc3c2c(=O)n(C)c(=O)n3C)cc1OC 11615589 NZLIDDPXXAXSKV-UHFFFAOYSA-N 421.453 3.127 0 40 HGAB Cn1cc(C(=O)N2CCC(c3nc4ccccn4c3NC(C)(C)C)CC2)ccc1=O 12087468 SNEGQHFZQNINAG-UHFFFAOYSA-N 407.518 3.263 0 40 HGAB CCCOc1cc(N2CCN(C(=O)c3cc(Cl)ccc3OC)CC2)nc(C)n1 12223729 ANAGFSHHXWWIHM-UHFFFAOYSA-N 404.898 3.198 0 40 HGAB O=C(NCC(=O)N1CCC[C@@H](C(=O)Nc2ccc(F)c(Cl)c2)C1)c1ccccc1 12323481 IEMCGAOFZACXRS-OAHLLOKOSA-N 417.868 3.086 0 40 HGAB Cc1cc(C)cc(N2C[C@H](C(=O)N3CCC[C@@H](c4nnc5ccccn45)C3)CC2=O)c1 12409858 KUKSPAPPKZPDBX-RTBURBONSA-N 417.513 3.105 0 40 HGAB Cc1ccn2cc(C(=O)N(C)CC(=O)Nc3ccc(Br)cc3C)nc2c1 12578134 MRWAEDLZCYJZIO-UHFFFAOYSA-N 415.291 3.424 0 40 HGAB Cc1c(C(=O)OCC(=O)NCC2(N3CCOCC3)CCCCC2)oc2ccccc12 12582709 XBMVXMMIAIFHPK-UHFFFAOYSA-N 414.502 3.049 0 40 HGAB COc1cc([C@@H]2Nc3ccccc3C(=O)N2C)cc(I)c1O 12632276 AZNNUGVHHOUCCS-OAHLLOKOSA-N 410.211 3.202 0 40 HGAB Cc1noc(C)c1CN(Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)OCCO2 12754558 ZFHNHXILOBHOKV-UHFFFAOYSA-N 414.483 3.454 0 40 HGAB Cc1cccn2cc(COc3ccc(C(=O)NCC(C)(C)N4CCOCC4)cc3)nc12 12758295 VAHIRRVYXYCAHH-UHFFFAOYSA-N 422.529 3.062 0 40 HGAB Cc1cc(C)c(NC(=O)CNC(=O)[C@H]2CC(=O)N([C@H](C)c3ccccc3)C2)c(C)c1 12945632 TVBLNXSUHKFQCM-QUCCMNQESA-N 407.514 3.276 0 40 HGAB Cc1cc(/C=C/C(=O)OCC(=O)Nc2ccc(C(N)=O)cc2)c(C)n1Cc1ccco1 13038845 CTFQUFUBDPIUAN-JXMROGBWSA-N 421.453 3.040 0 40 HGAB CCOc1cc(NC(=S)NCCOC)c(OCC)cc1NC(=O)c1ccco1 13556317 FGHVFWMBEXIVFJ-UHFFFAOYSA-N 407.492 3.262 0 40 HGAB CCN(c1ccc(OCC(=O)NCC(C)C)cc1)S(=O)(=O)c1ccc(C)cc1 13585238 UKPTYGRNUBVGPY-UHFFFAOYSA-N 404.532 3.361 0 40 HGAB CC[C@@H](C(=O)Nc1ccc(OC)c(OC)c1)N(c1ccc(F)cc1)S(C)(=O)=O 13715279 MDKPNKOQHPAZIK-INIZCTEOSA-N 410.467 3.026 0 40 HGAB CCOc1ccccc1-n1nnnc1SCCS(=O)(=O)c1cc(C)ccc1C 16485628 LBCGRKZVCRGFTA-UHFFFAOYSA-N 418.544 3.244 0 40 HGAB CC(C)[C@H](c1nnnn1Cc1ccco1)N1CCN(Cc2ccc(Cl)cc2)CC1 19446069 ZFRVUDFTTJNEDE-HXUWFJFHSA-N 414.941 3.483 0 40 HGAB CCOC(=O)c1cnn2c1N[C@H](C1CCN(C(=O)C(C)C)CC1)C[C@@H]2C(F)(F)F 19530938 WFHMTOWYCOMLJF-LSDHHAIUSA-N 416.444 3.242 0 40 HGAB COc1ccc(-c2nnc3n2[C@@H]2CCCC[C@@H]2N(C(=O)c2cccnc2)C3)cc1OC 19561698 MTJCJODGHZFANG-ZWKOTPCHSA-N 419.485 3.497 0 40 HGAB COc1ccc2[nH]c(CN3CCc4c(nc(-c5ccncc5)[nH]c4=O)C3)c(C)c2c1 19565512 VNRLHNLWQPRZHG-UHFFFAOYSA-N 401.470 3.189 0 40 HGAB Cc1n[nH]c(C)c1CC(=O)N1CC[C@@H](c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C)N3)C1 19578665 RNAKDNSLXQIRHZ-CKUKBARFSA-N 410.444 3.089 0 40 HGAB CN(C)c1ncc(-c2cncnc2)c(C2CCN(C(=O)CCc3ccccc3)CC2)n1 19694808 FTOIBLPXJPBXQB-UHFFFAOYSA-N 416.529 3.338 0 40 HGAB Nc1ncnc2nc([C@H]3CCCN3C(=O)COc3ccccc3)cc(C(F)(F)F)c12 19743239 UREPUWKYVSSSAK-OAHLLOKOSA-N 417.391 3.368 0 40 HGAB CCOC(=O)[C@@H]1C(=O)N(CCCOC)c2nc3ccccc3n2[C@H]1[C@H]1CC=CCC1 19818490 LXQLQHPRFBRXQO-VDGAXYAQSA-N 411.502 3.496 0 40 HGAB COc1ccc([C@@H](C)NC(=O)CCCN(c2ccc(F)cc2)S(C)(=O)=O)cc1 20485821 KQMNXVOCVQDIEI-OAHLLOKOSA-N 408.495 3.258 0 40 HGAB CCOC(=O)N1CCC(NC(=O)CCS[C@H]2CCc3ccccc3N=C2O)CC1 20745451 FCWXPFBAOORNCE-SFHVURJKSA-N 419.547 3.450 0 40 HGAB O=C(OCc1cc(Cl)c2c(c1)OCCO2)c1ccc(S(=O)(=O)C(F)F)cc1 21906324 JKNJDBZZLJUPTN-UHFFFAOYSA-N 418.801 3.465 0 40 HGAB COc1cc(CNCCNC[C@H](C)O)cc(Br)c1OCc1ccccc1 22075129 DXZPEPNZUFWJDX-HNNXBMFYSA-N 423.351 3.097 0 40 HGAB CCN(c1cc(OC)c(OC)cc1C(=O)Nc1ccc(F)cc1F)S(C)(=O)=O 22251985 YSZVUQOWTSGKJY-UHFFFAOYSA-N 414.430 3.020 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@H](C)c3ccc(F)cc3)C2)cc1 22539844 CKMDWUUIJKVABG-AEFFLSMTSA-N 404.507 3.412 0 40 HGAB CCc1ccc(NC(=O)[C@H](C)N2CCN(CC(=O)Nc3cccc(C)c3C)CC2)cc1 22799228 YXSNXRHXRLWJRY-FQEVSTJZSA-N 422.573 3.449 0 40 HGAB Cc1ccc(S(=O)(=O)N(Cc2cc(C)ccc2C)C(=O)N2CCN(C)CC2)cc1 22996767 RTNRABGPOMQZCA-UHFFFAOYSA-N 415.559 3.170 0 40 HGAB CCc1ccc(C(=O)N2CCN(Cc3cc(=O)oc4c(C)c(O)ccc34)CC2)cc1 23147997 DQXDUYLMJFTNAH-UHFFFAOYSA-N 406.482 3.327 0 40 HGAB COc1ccccc1NC(=O)C[C@@H]1C(=O)N(C[C@@H]2CCCO2)c2nc3ccccc3n21 23382183 ZNTADTSTSTUAAH-HNAYVOBHSA-N 420.469 3.140 0 40 HGAB Cc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N[C@H](C)[C@@H]3CCCO3)c2)cc1 27913251 RQZJFQZEZJOUIN-UZLBHIALSA-N 402.516 3.402 0 40 HGAB O=C(Cn1cnc2ccccc2c1=O)NCc1ccc(CN2CCc3ccccc32)cc1 31820087 MVQBJVWPKXDHQC-UHFFFAOYSA-N 424.504 3.276 0 40 HGAB O=C(Cn1cnc2ccccc2c1=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 32093798 RPYLZAUIYVKWJU-UHFFFAOYSA-N 417.296 3.052 0 40 HGAB CC(=O)Nc1ccc(SCC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)O)cc1 32666581 IPRXWCZZNSEKDY-LJQANCHMSA-N 411.483 3.031 0 40 HGAB COc1ccc(/C=C/C(=O)O)cc1Cn1nc(C)c(I)c1C 34925010 NQWQFTPGGNJHBI-FNORWQNLSA-N 412.227 3.259 0 40 HGAB Cc1ccc(-c2csnn2)cc1NC(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O 35316727 JBEUGGFKZTXSRY-UHFFFAOYSA-N 413.503 3.049 0 40 HGAB CCN(CC)c1nc2sc(C(=O)NC[C@H](C)N3C[C@@H](C)O[C@H](C)C3)cc2s1 39563684 XOTMPPLPIUVYMK-BFHYXJOUSA-N 410.609 3.432 0 40 HGAB Cn1ncc(C(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)c1C(F)(F)F 40114925 FGHHYHOSYGTYCD-UHFFFAOYSA-N 411.409 3.138 0 40 HGAB Cn1ccnc1COc1ccc(C(=O)N[C@@H](c2ccc(F)cc2)c2nccn2C)cc1 40119437 YKEBCTJUSOSGQS-NRFANRHFSA-N 419.460 3.391 0 40 HGAB CS(=O)(=O)N1CC[C@H](C(=O)NCCCc2ccccc2Cl)Oc2ccccc21 44906311 JAPDLIGBDOMMIV-LJQANCHMSA-N 422.934 3.006 0 40 HGAB COC(=O)c1cn(Cc2ccccc2C)nc1S(=O)(=O)N(C)c1ccc(C)cc1 49402304 GEMXUOLTRICVCM-UHFFFAOYSA-N 413.499 3.160 0 40 HGAB Cc1cc2nn(CC(=O)Nc3cc(F)ccc3C)c(=O)n2c(Nc2ccc(F)cc2)n1 49410651 QJKHZZVRRLWIIA-UHFFFAOYSA-N 424.411 3.168 0 40 HGAB O=C(CNC(=O)N1CCN(c2ccc(Cl)cc2)CC1)Nc1ccc2cc[nH]c2c1 49544272 JDWWMBHUIKIUEI-UHFFFAOYSA-N 411.893 3.292 0 40 HGAB NC(=O)c1ccc(NC(=O)c2cnn(-c3cc(F)cc(F)c3)c2-n2cccc2)cc1 49546866 DFBVCFWKCKDMNE-UHFFFAOYSA-N 407.380 3.292 0 40 HGAB CSc1ccccc1NC(=O)CN(C)Cc1nc(N)nc(Nc2ccccc2C)n1 57270691 OVCOXDPKBMGYEJ-UHFFFAOYSA-N 423.546 3.298 0 40 HGAB Cc1ccc(CNC(=O)Cn2c(=O)n(-c3ccccc3C)c(=O)c3sccc32)cc1 57489677 JPIWQRNYKZISQN-UHFFFAOYSA-N 419.506 3.147 0 40 HGAB Cc1ccc(NC(=O)[C@@H](OC(=O)c2nc3nccc(C)n3n2)c2ccccc2)cc1 60382519 JDSBRMRMKBESNK-SFHVURJKSA-N 401.426 3.278 0 40 HGAB CCOC(=O)N1CCN(C(=O)C2CN(C(c3ccccc3)c3ccccc3)C2)CC1 71280415 DFPPCHQSLAENPK-UHFFFAOYSA-N 407.514 3.009 0 40 HGAB Cc1ccnc(-n2cccc2CN2CCc3c(nc(N4CCC(C)CC4)[nH]c3=O)C2)c1 72335651 LSSFIWVKDOSUGS-UHFFFAOYSA-N 418.545 3.059 0 40 HGAB CCc1c(C)noc1-c1cnc(NCCc2cnccn2)nc1-c1cnc(C)cn1 72337667 XAOAIZHSNZXCHI-UHFFFAOYSA-N 402.462 3.212 0 40 HGAB CON(C)S(=O)(=O)c1cccc(C(=O)N[C@@H]2c3cccc(F)c3CC[C@@H]2C)c1 79024639 XDBYJKYWILJGEV-DJJJIMSYSA-N 406.479 3.061 0 40 HGAB COC(=O)c1ccc2c(c1)nc1n2[C@@H](CNCc2cnc3ccccc3c2)COC1 96112741 NEXUBVXUBWPOBQ-SFHVURJKSA-N 402.454 3.232 0 40 HGAB biogenic,in-vitro Cc1ccc([C@H]2[C@@H]3C=C[C@@]4(O3)[C@@H](C(=O)NC3CCCC3)N(C(C)(C)C)C(=O)[C@H]24)cc1 100435365 DXOLGWOCJNTKGM-KHMSYKNRSA-N 408.542 3.470 0 40 HGAB Nc1cccc(S[C@@H]2CC(=O)N(c3ccc(I)cc3)C2=O)c1 113511832 YDLUXEAXXBHFOV-CQSZACIVSA-N 424.263 3.298 0 40 HGAB COc1ccc(-c2noc(CN(C)C(=O)c3ccc(N4CCCC4=O)cc3)n2)cc1 219207115 USQXZTQULRXXCC-UHFFFAOYSA-N 406.442 3.144 0 40 HGAB CC[C@H](NC(=O)c1cccc(N2CCCC2=O)c1)c1ccc(S(C)(=O)=O)cc1 219216459 GZDKFDSLRVUKFZ-IBGZPJMESA-N 400.500 3.098 0 40 HGAB CC[C@H](C(=O)NCCOc1cc(C)ccc1C)N(c1ccc(F)cc1)S(C)(=O)=O 224018496 UDZCSRSOJRWZFZ-LJQANCHMSA-N 422.522 3.182 0 40 HGAB CCC(=O)N1CCc2cc(S(=O)(=O)N[C@H]3CCCc4cc(OC)ccc43)ccc21 224705739 KQXQOYUQAKYOMY-FQEVSTJZSA-N 414.527 3.350 0 40 HGAB CCn1c(=O)sc2cc(NS(=O)(=O)c3ccc(N4CCCC4=O)cc3)ccc21 225104768 NDOPVKMXNRNUHZ-UHFFFAOYSA-N 417.512 3.011 0 40 HGAB CNS(=O)(=O)c1cccc(C(=O)NCCSCc2c(F)cccc2Cl)c1 225408568 ZMTRABQHXTVOCE-UHFFFAOYSA-N 416.927 3.050 0 40 HGAB CCC(CC)C(=O)N1CCC(O)(c2csc(CN(C)Cc3cccnc3)n2)CC1 225426486 IAXUFYUSUGHWAO-UHFFFAOYSA-N 416.591 3.416 0 40 HGAB biogenic,in-vitro COC[C@]1(C(N)=S)[C@@H](c2cccc(F)c2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 242728176 YWMSUMHBLYVBPE-JZXOWHBKSA-N 413.923 3.338 0 40 HGAB Nc1nc(O)cc(C(=O)N2CCC[C@H](c3ncc(Cc4cccc(Cl)c4)o3)C2)n1 257209196 BPIRETCOUHQSLE-ZDUSSCGKSA-N 413.865 3.016 0 40 HGAB CN1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3N(S(=O)(=O)c1cccnc1)[C@H]2Cc1ccccc1 257261292 LGOZKAQNANQFTE-FADBTOOJSA-N 411.571 3.329 0 40 HGAB CCc1ccc(CN2CCN(c3nccn4c(-c5cnn(C)c5)cnc34)CC2)cc1 306144034 YTXZNNJRHHPYDF-UHFFFAOYSA-N 401.518 3.014 0 40 HGAB COc1c(F)c(F)cc(C(=O)N2CC[C@H](c3ccccc3)S(=O)(=O)CC2)c1F 390831893 VSZLHSCIKSUUQR-OAHLLOKOSA-N 413.417 3.115 0 40 HGAB CC(C)NS(=O)(=O)c1ccc(CCC(=O)N[C@@H](C)CCc2ccccc2)cc1 408584175 MQILRIJNOXETKS-SFHVURJKSA-N 402.560 3.443 0 40 HGAB O=C(CNS(=O)(=O)c1ccc(Br)cc1)Nc1ccc(F)c(Cl)c1 409147237 XMBWETGFBIMBSL-UHFFFAOYSA-N 421.675 3.159 0 40 HGAB O=C(COC(=O)c1cccc(N2C(=O)C=CC2=O)c1)Nc1cccc2ccccc12 409218884 IFQQUNKHWHTTRO-UHFFFAOYSA-N 400.390 3.065 0 40 HGAB Cc1sc2nc(CS[C@@H](C)C(=O)NCCN3CCC[C@H](C)C3)nc(O)c2c1C 603756135 CZVZHFVNJVONRS-WFASDCNBSA-N 422.620 3.484 0 40 HGAB COc1ccc(C(=O)N2CC[C@@H](Oc3ccncc3Br)C2)cc1OC 1775972493 IESDNRQXRPUJCJ-CYBMUJFWSA-N 407.264 3.155 0 40 HGAB CC(C)c1ncc([C@@H]2[C@H](O)[C@@H](C(=O)NCc3ccccc3)C[C@H]2NCC2CCCC2)[nH]1 2332241951 SDGKUXFQAHQUBM-KKSHJYNMSA-N 424.589 3.462 0 40 HGAB COc1ccccc1NC(=S)N(CCO)Cc1cc2cc(C)c(C)cc2[nH]c1=O 878830 HZIVQMOAKRPGBM-UHFFFAOYSA-N 411.527 3.345 0 40 HGAB CCn1cc(CNC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@@H](c2ccco2)N3)cn1 919682 JDVZBKZKNBQURD-WFASDCNBSA-N 408.384 3.283 0 40 HGAB COc1c(Cl)cc(C(=O)NC(=S)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1Cl 1100025 VDGQOTDTMRMYKA-UHFFFAOYSA-N 411.270 3.298 0 40 HGAB O=C(c1cc2ccccc2oc1=O)N(Cc1ccc2c(c1)OCO2)C[C@@H]1CCCO1 1330047 WOPDHZCMRQAWJK-KRWDZBQOSA-N 407.422 3.343 0 40 HGAB O=C(CCCN1CCC(n2c(=O)n(CO)c3ccccc32)CC1)c1ccc(F)cc1 1669060 ACQRYVMWVNCRDN-UHFFFAOYSA-N 411.477 3.192 0 40 HGAB O=C(CCNS(=O)(=O)c1c(Cl)cccc1Cl)OCC(=O)c1ccccc1 3364674 XYRBTHHVRJCWSY-UHFFFAOYSA-N 416.282 3.088 0 40 HGAB Cc1nn(Cc2ccccc2)c2sc(C(=O)OCC(=O)NCC(F)(F)F)cc12 3404186 IENPJNCAAFZHRL-UHFFFAOYSA-N 411.405 3.290 0 40 HGAB CCc1ccc(O[C@H](C)C(=O)N(Cc2ccccc2)[C@@H]2CCS(=O)(=O)C2)cc1 4182885 QZTVWMAACNNMCT-YLJYHZDGSA-N 401.528 3.232 0 40 HGAB CCn1c(SCC(=O)Nc2nnc(C)s2)nnc1[C@@H](C)Oc1ccccc1 4519812 LKBODUMQYITSGU-LLVKDONJSA-N 404.521 3.329 0 40 HGAB COc1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@@H]2c2ccc(OC)c(OC)c2)cc1 4705331 IZOPJQBGDUMXHQ-HXUWFJFHSA-N 421.457 3.232 0 40 HGAB CCn1c(SCC(=O)N2CCN(c3ccccc3)CC2)nnc1-c1ccoc1C 4852235 HVLHKVYQZXIGHA-UHFFFAOYSA-N 411.531 3.307 0 40 HGAB COCCn1c(SCC(=O)NCc2ccccc2Cl)nc2ccccc2c1=O 5016149 UKYPEJWBPHMJKM-UHFFFAOYSA-N 417.918 3.105 0 40 HGAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NC3CCCCCC3)CC2)cc1 5443374 AMBYBIOTYDGUDI-UHFFFAOYSA-N 408.564 3.325 0 40 HGAB O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)s1)Nc1ccc(F)c(F)c1 5860277 JAPQZYMYOKBUDY-UHFFFAOYSA-N 400.472 3.382 0 40 HGAB CCOc1ccccc1OCCCC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 5965601 ORCSKAAPHNDFBB-UHFFFAOYSA-N 406.504 3.133 0 40 HGAB CCOc1cc(C(=O)OCC(=O)NCc2ccc(F)cc2)cc(OCC)c1OCC 6053240 XACSQLPQLQYZCM-UHFFFAOYSA-N 419.449 3.495 0 40 HGAB CCc1cccc(C)c1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 6152515 XBVYWIKRAFOFGO-UHFFFAOYSA-N 422.934 3.484 0 40 HGAB CCCCOC(=O)c1ccc(NC(=O)COC(=O)c2ccc(OC)cc2OC)cc1 7182508 HRZQPFSNWVLXBK-UHFFFAOYSA-N 415.442 3.456 0 40 HGAB O=C(CSc1nc(-c2ccccc2F)n[nH]1)Nc1ccc(N2CCCC2=O)cc1 7183802 PTRWAUNBSZRBIR-UHFFFAOYSA-N 411.462 3.468 0 40 HGAB Cc1ccc(C(=O)O)cc1S(=O)(=O)Nc1ccccc1C(=O)NCc1ccco1 7708765 OPTNOTHAONUWQK-UHFFFAOYSA-N 414.439 3.017 0 40 HGAB CC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3C)C2)cc1 8039055 BWRNFUROGJDCCU-GOSISDBHSA-N 408.454 3.041 0 40 HGAB CCOc1ccccc1N1C[C@@H](C(=O)OCC(=O)Nc2cccc(Cl)c2)CC1=O 8039770 IKCRTPFTZALCTA-AWEZNQCLSA-N 416.861 3.274 0 40 HGAB CN1CCN(C(=S)c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)CC1 8091795 HHNYTYOBQDSRGT-UHFFFAOYSA-N 403.935 3.280 0 40 HGAB CCOc1ccc(-c2cc3c(=O)n(CC(=O)NCc4ccc(F)cc4)ccn3n2)cc1 8608758 JCMLIKAUCOPMQZ-UHFFFAOYSA-N 420.444 3.017 0 40 HGAB CCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(Cl)cc2)c(N2CCCC2)s1 8912420 QZVBCPDYLGYIFK-UHFFFAOYSA-N 420.965 3.023 0 40 HGAB CCCCN1C(=O)[C@@H]([C@@H]2c3ccccc3C(=O)N2Cc2ccccc2)C(=O)N=C1S 8914109 BYYAVTYYLLWXRL-OALUTQOASA-N 421.522 3.455 0 40 HGAB O=C(Cn1cnc2ccccc2c1=O)N1CCC(c2nc3ccccc3s2)CC1 9133936 BTWVEYWNNYCRKP-UHFFFAOYSA-N 404.495 3.412 0 40 HGAB CCCCN1C(=O)NC(=O)[C@@]2(Cc3cc4cc(C)ccc4nc3N3CCCC[C@@H]32)C1=O 9138087 KCPCDTNNTCDLKP-DVECYGJZSA-N 420.513 3.323 0 40 HGAB Cc1cc(C)c2c(NC(=O)C(=O)NCCc3c[nH]c4ccc(Cl)cc34)n[nH]c2n1 9421515 ZIWBESUDYBAKLJ-UHFFFAOYSA-N 410.865 3.007 0 40 HGAB C[C@H](NC(=O)COc1ccccc1)C(=O)O[C@H](C)C(=O)C12CC3CC(CC(C3)C1)C2 9690642 UIBQEZPSWHLIES-FRBILKQBSA-N 413.514 3.287 0 40 HGAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCc3ccc4c(c3)OCO4)c2)cc1 10112765 RNECNQDRWZNJEV-UHFFFAOYSA-N 424.478 3.455 0 40 HGAB Cc1cccc(CNc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)c1 11549902 DMXVDSIHGOFUPL-UHFFFAOYSA-N 415.559 3.228 0 40 HGAB COc1ccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 11643077 HRLYOCAHSGVWAP-MRXNPFEDSA-N 418.515 3.276 0 40 HGAB COc1ccc(-c2cc3nc([C@@H](C)NC(=O)Cc4ccc(F)cc4)nn3cn2)cc1 12085088 GJPQTJOTRIPGDM-CQSZACIVSA-N 405.433 3.359 0 40 HGAB O=C(c1n[nH]c2c1CCCC2)N1CCC[C@H](n2c(=O)oc3ccc(Cl)cc32)C1 12143326 RSLJUQHDFSTXLJ-ZDUSSCGKSA-N 400.866 3.327 0 40 HGAB Cc1sc2nc(C3CC3)n3c(=O)n(CC(=O)N(C(C)C)C(C)C)nc3c2c1C 12182040 CNFABAFNBCKWLY-UHFFFAOYSA-N 401.536 3.245 0 40 HGAB Cc1nccn1[C@@H](C)CC(=O)N1CCC[C@@H](c2nc3ccc(F)cc3cc2C(N)=O)C1 12221632 LXAHGAHMBAAJOG-GOEBONIOSA-N 423.492 3.335 0 40 HGAB COc1ccc(CC(=O)N2CCN(c3cc(Oc4ccccc4)nc(C)n3)CC2)cc1 12223834 WPLSGFNAYAYNFU-UHFFFAOYSA-N 418.497 3.477 0 40 HGAB C[C@@H](Oc1ccccc1)C(=O)N1CCc2cc(S(=O)(=O)NC3CCCC3)ccc21 12289155 GGRQMKLDVGDKSJ-MRXNPFEDSA-N 414.527 3.264 0 40 HGAB CCOC(=O)c1c(-c2ccco2)csc1NC(=O)CSc1nnnn1C1CC1 12795727 UCHZPOFPCVVSAZ-UHFFFAOYSA-N 419.488 3.237 0 40 HGAB COc1ccc(NC(=O)c2occc2-c2ccccc2)cc1S(=O)(=O)N(C)C 12815341 PFZSXEWXFWPFBS-UHFFFAOYSA-N 400.456 3.458 0 40 HGAB CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc(NC(=O)C3CC3)c2)c1 12825093 HPWFQYMYDAZFEW-UHFFFAOYSA-N 421.906 3.191 0 40 HGAB CCCN(Cn1nc(Nc2cccc(F)c2)sc1=S)[C@@H]1CCS(=O)(=O)C1 12924446 PAAIEYIASOFINS-CQSZACIVSA-N 416.569 3.413 0 40 HGAB Cc1cccc(C)c1N(CC(=O)NCCSCc1ccccc1F)S(C)(=O)=O 13670000 WSRMBFZDSIEULK-UHFFFAOYSA-N 424.563 3.258 0 40 HGAB COc1ccc(S(=O)(=O)N(CC(=O)N2CCC[C@@H](C)C2)c2ccc(F)cc2)cc1 13672633 ZAZLGVOHGKDUJL-MRXNPFEDSA-N 420.506 3.288 0 40 HGAB Cc1nnc2ccc(N3CCN(C(=O)Nc4cc(Cl)ccc4Cl)CC3)nn12 13700496 XNFZUDHIQIVDQO-UHFFFAOYSA-N 406.277 3.094 0 40 HGAB O=C(N[C@@H](CC(=O)N1CCN(c2ccccn2)CC1)c1ccccc1)c1ccccc1 14246445 HLFDGXDTNXLKOK-QFIPXVFZSA-N 414.509 3.292 0 40 HGAB C[C@H](OC(=O)c1ccc(OC[C@@H]2CCCO2)cc1)C(=O)NC(=O)Nc1ccccc1 14705826 XTKKIMUCIPIPON-KXBFYZLASA-N 412.442 3.138 0 40 HGAB COc1cc([C@H]2CC(O)=Nc3c2c(C)nn3-c2ccc(Cl)nn2)cc(OC)c1O 15083821 YVTMOAKYSLKNCN-LLVKDONJSA-N 415.837 3.471 0 40 HGAB O=S1(=O)CC[C@@H](Nc2nc(-c3cccnc3)nc3sc4c(c23)CCCC4)C1 15356834 ALIDUFXJSAQBAL-CYBMUJFWSA-N 400.529 3.231 0 40 HGAB CC(C)NC(=O)NC(=O)[C@@H](C)OC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1 15650355 BUVXOHCMAJAERQ-CYBMUJFWSA-N 416.861 3.351 0 40 HGAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H](C)CCc2ccccc2)cc1C 16692192 FALVLBWCOHERES-GOSISDBHSA-N 418.559 3.152 0 40 HGAB CCc1cccc2c(/C=C3\NC(=S)N(C)C3=O)cn(CC(=O)N3CCCCCC3)c12 17299971 MKPOMKKRYYWXSQ-UYRXBGFRSA-N 424.570 3.294 0 40 HGAB Cc1cc(-c2cnc(N3CCCC3)nc2C2CCN(C(=O)c3ccncc3)CC2)on1 19123114 DKHKEHPSNPVMMH-UHFFFAOYSA-N 418.501 3.455 0 40 HGAB O=c1[nH]c(-c2cccnc2)nc2c1CCN(Cc1c[nH]nc1-c1ccc(Cl)cc1)C2 19340035 PWVONPWCCZFWJQ-UHFFFAOYSA-N 418.888 3.434 0 40 HGAB O=S(=O)(Cc1ccccc1)N1CCc2cc3c(cc2[C@@H]1C1CCOCC1)OCO3 19372742 HZWCIQBOLLBTCD-QFIPXVFZSA-N 415.511 3.271 0 40 HGAB COc1cccc(Cc2cc(C)nc(C3CCN(C(=O)[C@H]4CC(=O)N(C)C4)CC3)c2)c1 19691555 FPWNICMBDGVCCF-NRFANRHFSA-N 421.541 3.174 0 40 HGAB CC(C)(C)OC(=O)N1CCn2c(nnc2[C@@H]2CCCN2C(=O)CC2CCCC2)C1 19707986 FXVCWTUKBANAPD-INIZCTEOSA-N 403.527 3.273 0 40 HGAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)C1=Cc2cc(OC)ccc2OC=C1 19810014 HNPYMISMVPOHLQ-UHFFFAOYSA-N 411.410 3.427 0 40 HGAB CCc1nnc(-n2ccc3nc(C)c(C(=O)OC)c(-c4cccc(Cl)c4)c3c2=O)[nH]1 19821627 IQJFUHXLRKMIMO-UHFFFAOYSA-N 423.860 3.482 0 40 HGAB COc1ccc(N([C@@H](C)C(=O)N[C@@H]2CCCc3ccccc32)S(C)(=O)=O)cc1 19933794 NEFBBICZJHSSOB-MGPUTAFESA-N 402.516 3.044 0 40 HGAB C[C@H](NC(=O)CN(C1CCCCC1)S(C)(=O)=O)c1cccc(Br)c1 20013298 TWTCSGGSKOKQOW-ZDUSSCGKSA-N 417.369 3.221 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)[C@]1(C)CC1(Cl)Cl 22192035 GYUXEEGMMJJKQL-INIZCTEOSA-N 405.347 3.190 0 40 HGAB COc1ccccc1[C@@H](CNC(=O)CNC(=O)c1ccccc1Cl)N1CCCC1 22680222 DVQLYYYVLZWZGJ-LJQANCHMSA-N 415.921 3.032 0 40 HGAB Cc1ccc(CSCCNC(=O)CN2C(=O)COc3ccc(Cl)cc32)cc1 23443029 TZIMBZBTHGHLAR-UHFFFAOYSA-N 404.919 3.423 0 40 HGAB COC(=O)c1sc2nc(C)nc(Sc3nc4nc(C)cc(C)n4n3)c2c1C 24205006 KBEJZMPYQVLSAV-UHFFFAOYSA-N 400.489 3.300 0 40 HGAB CC(C)(C)OC(=O)Nc1cccc(C(=O)N2CCN(C(=O)N3CCCCC3)CC2)c1 25171637 OVEWFILGGLMXBG-UHFFFAOYSA-N 416.522 3.397 0 40 HGAB Cc1nn(C[C@@H](O)c2ccccc2F)c(C)c1S(=O)(=O)N1CCc2ccccc21 28920725 PCPFXSBGXCBZGI-HXUWFJFHSA-N 415.490 3.124 0 40 HGAB COc1ccc(CCCN(C)C(=O)c2cc3c(OC)nc(N)nc3s2)cc1OC 30801226 LFWXFCULYHCCPW-UHFFFAOYSA-N 416.503 3.004 0 40 HGAB Cc1cc(NC(=O)c2cnn(-c3ccc(O)nn3)c2C(F)(F)F)ccc1N(C)C 32824355 DVQDDUONZJYTEC-UHFFFAOYSA-N 406.368 3.013 0 40 HGAB CCOC(=O)c1cnn(-c2ccc(C(=O)NCC(F)(F)F)cc2)c1C(F)(F)F 32979381 IQWNHGSCBZLAQT-UHFFFAOYSA-N 409.286 3.360 0 40 HGAB CC(=O)N[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1)c1ccccc1 32983461 MISXWBWDTAWJBV-INIZCTEOSA-N 417.391 3.492 0 40 HGAB C[C@@H]1C[C@@H]1C(=O)NCCC(=O)Nc1cc(Br)ccc1Br 33168544 XROMGDQVDCCOGC-SCZZXKLOSA-N 404.102 3.312 0 40 HGAB CCn1c(=O)n(CC)c2cc(NC(=O)CSc3nc(O)c4ccccc4n3)ccc21 35213121 GTGRQETXRJKPNQ-UHFFFAOYSA-N 423.498 3.222 0 40 HGAB CCCn1nccc1CNC(=O)c1cc(-c2ccc(OC)cc2)nc2c1cnn2C 36616310 XONMQQOOBJEVCN-UHFFFAOYSA-N 404.474 3.180 0 40 HGAB CCOc1ccccc1NC(=O)[C@H]1CCN(S(C)(=O)=O)c2cc(Cl)ccc2O1 38834329 XWLVRRBWXXJEIW-GOSISDBHSA-N 424.906 3.295 0 40 HGAB CCN(CC)[C@@H](CNC(=O)[C@H]1CCCN(C(=O)c2ccoc2)C1)c1ccsc1 40089481 CMCOUZWKSZPNGS-LPHOPBHVSA-N 403.548 3.393 0 40 HGAB CCCS(=O)(=O)N1CCC[C@H](C(=O)N[C@@H](C)c2cccc(Br)c2)C1 40092573 CSLNQBBMTSRXED-ZFWWWQNUSA-N 417.369 3.078 0 40 HGAB C[C@H](Cc1ccccc1Cl)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1 40112008 UBJUQZFKEQFWFY-BEFAXECRSA-N 406.935 3.241 0 40 HGAB C[C@@]1(c2ccccc2C(F)(F)F)NC(=O)N(CC(=O)Nc2cccc(F)c2)C1=O 40116653 BVIMFZCUNFNWFD-SFHVURJKSA-N 409.339 3.250 0 40 HGAB Cc1ccc(C)c([C@@H](C)NC(=O)[C@H]2CCN(S(C)(=O)=O)c3ccccc3O2)c1 44905949 DKPQIWUPSKKILC-OXQOHEQNSA-N 402.516 3.098 0 40 HGAB C[C@]12CCC(=O)N1c1ccccc1C(=O)N2CCC(=O)N[C@@H]1CCc2ccccc21 45897184 KVFFFMKCEUHDRA-NTKDMRAZSA-N 403.482 3.179 0 40 HGAB CCc1cccc(NC(=O)Cn2nc3c4c5c(sc4ncn3c2=O)CCCC5)c1 64945698 GSKDYEHWLXSKMV-UHFFFAOYSA-N 407.499 3.186 0 40 HGAB C[C@@H]1CN(CCNC(=O)c2cccc(-n3nccc3-c3ccccc3)c2)C[C@@H](C)O1 71827306 LEHWUEGVPLZKRU-RTBURBONSA-N 404.514 3.378 0 40 HGAB CCN(C)C[C@@H]1CCN(CC(=O)Nc2ccccc2C(=O)Nc2cccc(C)c2)C1 72305276 MFSCUYWPZBWDQR-IBGZPJMESA-N 408.546 3.459 0 40 HGAB Cc1nn(C)cc1S(=O)(=O)N1CCC[C@H](c2cccc(-c3ccc(F)cc3)n2)C1 72350135 LCYKGVSMHYTHQB-KRWDZBQOSA-N 414.506 3.498 0 40 HGAB O=C([C@H]1CC=CCC1)N1CCC2(CC1)OCCN2S(=O)(=O)c1ccc(Cl)cc1 77200683 SXHAFUBQDCOZQG-INIZCTEOSA-N 424.950 3.036 0 40 HGAB Cc1cc(NC(=O)[C@@H](C)Oc2ccc(Br)cc2)n(-c2ncccn2)n1 84105352 BKKTXNPYRCUDSU-GFCCVEGCSA-N 402.252 3.139 0 40 HGAB C[C@@H]1C[C@H](CNC(=O)c2cccc(S(=O)(=O)Nc3ccc(F)cc3)c2)CCO1 95457888 MZDQYVCWXVVXEI-HUUCEWRRSA-N 406.479 3.171 0 40 HGAB COc1cccc2[nH]cc([C@@H](CC(=O)N[C@H]3CCS(=O)(=O)C3)c3ccsc3)c12 95472769 KXIDZLWTMODOHD-GJZGRUSLSA-N 418.540 3.063 0 40 HGAB CCc1cccc(NC(=O)N2CCC[C@@]3(CC(C(=O)Nc4cccnc4)=NO3)C2)c1 96225023 RAPPUGYOYFJORK-JOCHJYFZSA-N 407.474 3.426 0 40 HGAB O=S(=O)(C[C@@H]1CCCN1S(=O)(=O)c1cccc2ccccc12)c1ccccc1 96366992 YNFQGMWPFJLALT-SFHVURJKSA-N 415.536 3.467 0 40 HGAB COc1ccc(/C=C2/SC(=O)N(CCNC(=O)Cc3ccc(F)cc3)C2=O)cc1 96551215 AXMYUDAZSZRIGV-LDADJPATSA-N 414.458 3.230 0 40 HGAB COC(=O)Cn1/c(=N/C(=O)c2ccc(OC)c(OC)c2)sc2c(C)cc(C)cc21 100910624 ZIBGJVFGUYWGRS-DQRAZIAOSA-N 414.483 3.251 0 40 HGAB CCOC(=O)c1ccc(N2C(=O)N[C@H]3C[C@@]2(C)Oc2ccc(C(=O)OC)cc23)cc1 101085125 YVGYNGCNVSQNNJ-HTAPYJJXSA-N 410.426 3.420 0 40 HGAB COc1ccc(OC)c(NC(=O)c2cccc(N3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4C3)c2)c1 102730143 OCSUKFUSOVNQLR-FJAKRLOMSA-N 418.449 3.268 0 40 HGAB O=C1C(=O)N(c2cc(Cl)ccc2Cl)C(=O)C(=O)C1c1nc2ccccc2s1 103013632 KHXZVJWAOMUUOB-UHFFFAOYSA-N 419.245 3.398 0 40 HGAB CCCCN(C(=O)C[C@@H]1C[C@H]2CC[C@H]1C2)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 103249714 JEFLMEBHQDWNEN-FHWLQOOXSA-N 424.545 3.127 0 40 HGAB COC(=O)[C@@H]1C[C@H](Oc2ccccc2F)CN1C(=O)Nc1ccc(OC)cc1OC 206804277 HSWAHDLEIZKCIS-YOEHRIQHSA-N 418.421 3.070 0 40 HGAB C[C@@H]1Cc2ccccc2N1C(=O)COc1ccc(S(=O)(=O)NC2CCCC2)cc1 222647698 WTGDRWKYOBFTLL-MRXNPFEDSA-N 414.527 3.264 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(CCC(=O)N(C)c2ccc(OC)cc2)cc1 222885671 OUBQXZRWEJVIGN-UHFFFAOYSA-N 404.532 3.321 0 40 HGAB C[C@H]1C[C@@H](C)CN(c2cc(C(F)(F)F)nc(NC(=S)NC[C@@H]3CCCO3)n2)C1 225910136 LRMACFDQZBIZHG-XQQFMLRXSA-N 417.501 3.443 0 40 HGAB CC(C)N1CCOC[C@@]2(CC[C@H](CNCC3CCN(Cc4ccccc4)CC3)O2)C1 248157329 JEFKPHAOILDNGR-JWQCQUIFSA-N 415.622 3.147 0 40 HGAB Cn1ccc2cc(C(=O)N3CC4(C3)OCC[C@@H]4CCOCc3ccccn3)ccc21 306141873 WIVMGRPDZUAFDI-FQEVSTJZSA-N 405.498 3.411 0 40 HGAB CC(C)CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)Nc2ccc(F)cc2F)cc1 408603469 KEZWPSSQSKPEPD-ZDUSSCGKSA-N 412.458 3.305 0 40 HGAB CCNC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 408614862 IYIMUAOCVIYMIK-CYBMUJFWSA-N 419.403 3.447 0 40 HGAB COC(=O)c1ccc(-c2ccc(/C=C3/SC(=O)N([C@@H](C)C(=O)OC)C3=O)o2)cc1 409096258 CZNINCSMGJVSMX-YAFRSCOQSA-N 415.423 3.331 0 40 HGAB CC(C)(C)NC(=O)COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1Cl 409391711 OGJLKCZDEYLIFL-UHFFFAOYSA-N 422.934 3.385 0 40 HGAB CCS(=O)(=O)c1ccc2oc(CN3CCO[C@]4(CCc5ccccc54)C3)nc2c1 510650796 WUXNDFQSRBIVGK-JOCHJYFZSA-N 412.511 3.295 0 40 HGAB CC(C)CS(=O)(=O)[C@@H]1CCCN(C(=O)COc2ccc(Cl)cc2Cl)C1 585146925 OCSXJFHSCMUQJI-CQSZACIVSA-N 408.347 3.434 0 40 HGAB O=C(N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1)c1csc(-c2ncccn2)n1 679206136 JQROTASNXLMSOY-NSHDSACASA-N 403.870 3.401 0 40 HGAB COc1ccc(OCc2nnc(SCC(=O)Nc3ccc(F)cc3)n2C)cc1 649964 LZYRYEKWCAPLMS-UHFFFAOYSA-N 402.451 3.273 0 40 HGAB CCn1cc(CNC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@H](c2ccco2)N3)cn1 919680 JDVZBKZKNBQURD-IUODEOHRSA-N 408.384 3.283 0 40 HGAB COc1ccccc1-n1c(N)c(C(=O)NC[C@@H]2CCCO2)c2nc3ccccc3nc21 2230511 IFJPEFFSNHKHJF-AWEZNQCLSA-N 417.469 3.073 0 40 HGAB COc1ccc(-n2c(N3CCN(C)CC3)nc3sc4c(c3c2=O)CCCCC4)cc1 2365851 NTPAWLKPCLLDPC-UHFFFAOYSA-N 424.570 3.477 0 40 HGAB C[C@@H](OC(=O)c1ccccc1Nc1ccc(SC(F)F)cc1)C(=O)NC(N)=O 2635248 BZAQNXZPKAZDLP-SNVBAGLBSA-N 409.414 3.485 0 40 HGAB C[C@]12CCC(=O)C[C@H]1CC[C@@H]1[C@H]2C(=O)C[C@@]2(C)[C@@H]1CC[C@@]21OCO[C@@]12COCO2 3882025 ZQDVAXPMAQYWLD-UGKIAGLKSA-N 404.503 3.221 0 40 HGAB O=C(CSc1ncnc2c1nnn2Cc1ccc(F)cc1)Nc1cccc(F)c1 4166432 VTFJKULRQRAYEH-UHFFFAOYSA-N 412.425 3.279 0 40 HGAB CCc1ccc(O[C@@H](C)C(=O)N(Cc2ccccc2)[C@@H]2CCS(=O)(=O)C2)cc1 4182880 QZTVWMAACNNMCT-FXAWDEMLSA-N 401.528 3.232 0 40 HGAB CCc1c(C)nc2n(c1=O)[C@H](CS(=O)(=O)c1ccc3ccccc3c1)CS2 4434147 CANVNWYGCNGOES-INIZCTEOSA-N 400.525 3.388 0 40 HGAB COc1ccccc1CNC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1 4732604 SBGZCDQOLYHMEE-UHFFFAOYSA-N 402.497 3.488 0 40 HGAB O=S(=O)(c1ccc2c(c1)OCCO2)N1CCn2cccc2[C@H]1c1ccc(F)cc1 4853918 YZFAYZKJCMVZPV-OAQYLSRUSA-N 414.458 3.192 0 40 HGAB CC(=O)Nc1ccc(C(=O)CSc2nnnn2-c2cccc3c2CCCC3)cc1 4968132 SMCCNWXKEZMHIJ-UHFFFAOYSA-N 407.499 3.475 0 40 HGAB COc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)C(C)C)CCC3)c(OC)c1 5136606 BBGFVXGLTPZNPE-UHFFFAOYSA-N 418.515 3.440 0 40 HGAB C[C@H](NC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O)C12CC3CC(CC(C3)C1)C2 5279299 RKSRBHLTBUEDJN-HIGJEIRPSA-N 402.560 3.343 0 40 HGAB CC[C@@H]1CCc2sc(-c3nnc(S[C@@H](C(=O)NC(N)=O)C(C)C)n3C)cc2C1 5776386 IVQJXMOIPSOYAD-IAQYHMDHSA-N 421.592 3.370 0 40 HGAB CCOC(=O)C1CCN(C(=O)CSc2nnc(NC3CCCCC3)s2)CC1 5786864 QEDQDPQJEKMJBQ-UHFFFAOYSA-N 412.581 3.177 0 40 HGAB CCCCOc1ccc(C(=O)NCC(=O)O[C@H](C)C(=O)N2CCc3ccccc32)cc1 6110993 AXOMRGQWKJGZJY-QGZVFWFLSA-N 424.497 3.116 0 40 HGAB CCOc1cccc([C@H]2c3c(-c4c(C)cc(C)cc4O)n[nH]c3C(=O)N2CCO)c1 6743310 MDWUAAAUJFSQGS-QFIPXVFZSA-N 407.470 3.335 0 40 HGAB Cc1cccc(C)c1OCC(=O)N(Cc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 6811054 CLUVCHDKZUQTBG-GOSISDBHSA-N 405.491 3.037 0 40 HGAB CCOc1ccc(-c2n[nH]c(=S)n2CC(=O)N2CCN(c3ccccc3)CC2)cc1 7069323 CORYYMVCUUAJEE-UHFFFAOYSA-N 423.542 3.355 0 40 HGAB Cc1ccc(C(=O)N[C@H]2CCOc3ccccc32)cc1S(=O)(=O)N1CCCCC1 7215270 UVNZWEOBKGMOAQ-IBGZPJMESA-N 414.527 3.423 0 40 HGAB CCOc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N([C@H](C)c3ccccc3)C2)cc1 7232499 NFHCPTQKGJIBIV-SJLPKXTDSA-N 410.470 3.177 0 40 HGAB C[C@@H](OC(=O)CCC1CCCCC1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 7701790 QJLWVUQVWVYZRZ-OAHLLOKOSA-N 410.536 3.168 0 40 HGAB CCn1cc(C(=O)Nc2cc(Cl)ccc2-n2cncn2)c(=O)c2ccc(C)nc21 7717943 NOMVGAJNEMQOHD-UHFFFAOYSA-N 408.849 3.211 0 40 HGAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1cc2c(s1)CC[C@H](C)C2 7723386 SXBACXCIKNSQCD-LBPRGKRZSA-N 408.545 3.384 0 40 HGAB O=C(CNC(=O)c1cccs1)NCC(=O)Nc1ccc(Oc2ccccc2)cc1 8071404 CBBYGHHVJAVPCW-UHFFFAOYSA-N 409.467 3.025 0 40 HGAB COC[C@@H](C)n1c(C)cc(C(=O)CSc2nnnn2Cc2cccs2)c1C 8131542 BXWGJNTUWFRRGS-CYBMUJFWSA-N 405.549 3.384 0 40 HGAB CN(CC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2)S(=O)(=O)c1cccs1 8429534 BNJSVJDZLLCBOE-UHFFFAOYSA-N 408.501 3.049 0 40 HGAB Cn1c(=O)n(C)c2cc(N3CCOCC3)c(NC(=O)c3ccc(C(C)(C)C)cc3)cc21 8594620 BJPNGZUNAQNPIJ-UHFFFAOYSA-N 422.529 3.263 0 40 HGAB Cc1ccc2[nH]c(=O)c(CN(C[C@@H]3CCCO3)C(=S)NCc3ccco3)cc2c1 8686696 WGIGVIKMZZEKSI-IBGZPJMESA-N 411.527 3.485 0 40 HGAB CCn1c(SCC(=O)Nc2ccc(Cl)c(C(=O)O)c2)nnc1-c1ccncc1 9236083 ITZYJIHGTATEET-UHFFFAOYSA-N 417.878 3.442 0 40 HGAB COc1ccc([C@H]2CCCN2C(=O)c2cccc(N3CCCS3(=O)=O)c2)cc1 9962028 SHRBGPOILLDSOL-HXUWFJFHSA-N 400.500 3.212 0 40 HGAB CCCn1nc(C(=O)OCc2nc(N)c3c(C)c(C)sc3n2)c2ccccc2c1=O 11321222 QEBKLLIFCCGKCJ-UHFFFAOYSA-N 423.498 3.367 0 40 HGAB CCc1c(C)nc2cc([C@H]3CCN(Cc4ccc(OCCOC)cc4)C3)nn2c1O 12276394 RLDRSOZZNNGPTE-SFHVURJKSA-N 410.518 3.320 0 40 HGAB O=C(NCc1ccccc1)NC(NC(=O)c1cccnc1)(C(F)(F)F)C(F)(F)F 12376458 PXBHZTPWQYOJLF-UHFFFAOYSA-N 420.313 3.132 0 40 HGAB C[C@@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 12734761 XVJWULFPKVWARA-AVRDEDQJSA-N 423.513 3.129 0 40 HGAB O=C(COc1ccc(Br)cc1)NC[C@@H](c1ccccc1)N1CCOCC1 12874994 XXWWHBYZXXZNIH-IBGZPJMESA-N 419.319 3.018 0 40 HGAB CN(Cc1ccc(OC(F)F)cc1)C(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 13096772 BRFODPOZBIZFJD-UHFFFAOYSA-N 424.469 3.345 0 40 HGAB CC(=O)Nc1nonc1-c1nc2ccccc2n1Cc1cc2c(cc1Cl)OCO2 13282188 VULJEIHMHCOHGD-UHFFFAOYSA-N 411.805 3.475 0 40 HGAB CCN(CC)CCCn1cc2c(c1-c1ccc(Cl)cc1)c(=O)n(C)c(=O)n2C 13536143 BJOAELAEKIJHGQ-UHFFFAOYSA-N 402.926 3.091 0 40 HGAB COc1ccccc1C(=O)Nc1cc(-c2ccccc2)nn1[C@H]1CCS(=O)(=O)C1 13690566 WIWXPXSUKAMUIL-INIZCTEOSA-N 411.483 3.171 0 40 HGAB C[C@@H](NC(=O)OC(C)(C)C)c1nnc(S(=O)(=O)Cc2ccccc2Cl)o1 15999156 LXQZJNZVWKATCJ-SNVBAGLBSA-N 401.872 3.283 0 40 HGAB C[C@@H]1CCC[C@]2(C)C[C@@H]3OC(=O)[C@@H](CN4CCN(C(=O)c5ccco5)CC4)[C@@H]3C=C12 16040562 MQSZZIBOTGMDJA-LGWQMSFJSA-N 412.530 3.352 0 40 HGAB biogenic COc1ccc(OC)c([C@H]2C(C(N)=O)=C(C)Nc3nc(-c4cccc(C)c4)nn32)c1 16837304 DZBDHSURBHJOAP-IBGZPJMESA-N 405.458 3.045 0 40 HGAB COc1ccccc1NS(=O)(=O)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1 16973905 AHZZBKXKRSERQX-UHFFFAOYSA-N 422.462 3.292 0 40 HGAB COc1cc(CN(C)C(=O)c2cc(S(C)(=O)=O)ccc2C)ccc1OC(F)F 17958029 CUDJTSFWJHGLTI-UHFFFAOYSA-N 413.442 3.281 0 40 HGAB Cc1ccc([C@H]2CCCN2C(=O)[C@@H](C)N2C(=O)c3ccccc3S2(=O)=O)cc1C 19213659 MGNCUTDXKNTOQF-VQIMIIECSA-N 412.511 3.200 0 40 HGAB OCCn1ncc(-c2ccnc(N3CCCC3)n2)c1[C@H]1CCCN1C1CCCCC1 19404186 JHCUHAXMIYPFTE-OAQYLSRUSA-N 410.566 3.402 0 40 HGAB Cc1noc2nc(C3CCN(C(=O)C[C@@H](C)n4cncn4)CC3)cc(C(F)(F)F)c12 19564633 VKNRJNUQKYWLFD-LLVKDONJSA-N 422.411 3.499 0 40 HGAB CN1C[C@H](C(=O)Nc2ccc(F)cc2)C[C@@H]1C1CCN(C(=O)c2ccccn2)CC1 19587605 MZZPVTJYLKEASI-DYESRHJHSA-N 410.493 3.032 0 40 HGAB COCc1ccc(OC)c(CN2CCC[C@H](Cn3nnc(-c4cccs4)n3)C2)c1 19594350 ZFIMJSNASFBZKU-KRWDZBQOSA-N 413.547 3.469 0 40 HGAB CN(C)c1ncc(-c2ccccc2F)c([C@H]2CCCN(C(=O)c3ccc(N)nc3)C2)n1 19694262 IXPQYAVFYXPMFC-INIZCTEOSA-N 420.492 3.346 0 40 HGAB CN(C)C(=O)C1(Cc2ccc(-c3cccnc3)cc2)CCN(C(=O)[C@H]2CCCO2)CC1 19700117 LADWTHBUZZOYHF-JOCHJYFZSA-N 421.541 3.167 0 40 HGAB COc1ccc(-c2ccnc3c(C(=O)N4CCC[C@H](Cn5ccnc5)C4)cnn23)cc1 19719036 HWRMKUXNQQFSQE-QGZVFWFLSA-N 416.485 3.154 0 40 HGAB Cc1nc([C@H]2CCCCN2C(=O)CN2CCCC2)ncc1C(=O)Nc1ccccc1 19755819 XBKNVUSHXKXOMP-HXUWFJFHSA-N 407.518 3.187 0 40 HGAB COc1cc(CNC[C@@H](O)c2ccccc2)ccc1Oc1nnnn1-c1ccccc1 19943200 IBGJOOCWKHEGMH-HXUWFJFHSA-N 417.469 3.286 0 40 HGAB COc1ccc([C@@H](C)NC(=O)[C@@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)cc1 20107682 KMNRGKJQJGTSBU-ZIAGYGMSSA-N 410.923 3.381 0 40 HGAB O=C1CCc2ccc(OCc3noc(C(=O)NCc4cccc(Cl)c4)n3)cc2N1 20721811 AQXCKBMJSWMSHY-UHFFFAOYSA-N 412.833 3.117 0 40 HGAB C[C@@H]1Cc2cc(C(=O)N(Cc3ccccc3F)C3CC3)ccc2N1S(C)(=O)=O 21934713 FDQAHSXZRFIXGR-CQSZACIVSA-N 402.491 3.341 0 40 HGAB O[C@@H](COc1ccc(Cl)cc1)CSc1nnc(NC[C@H]2CCCO2)s1 22093576 HNAAGCYTYYWKBM-GXTWGEPZSA-N 401.941 3.314 0 40 HGAB CCOc1ccccc1N(CC(=O)N[C@H](C)c1cc(C)ccc1C)S(C)(=O)=O 22332836 XAAFYOQNINOURA-QGZVFWFLSA-N 404.532 3.346 0 40 HGAB CCOc1ccc([C@@H](C)NC(=O)[C@H]2CCCN(S(=O)(=O)c3cccs3)C2)cc1 22513879 ACSFVGYWLJPZQK-WBVHZDCISA-N 422.572 3.425 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCc2csc(C)n2)c1 22761591 PZWFXQJSMHKBIN-UHFFFAOYSA-N 415.968 3.108 0 40 HGAB O=C(NCCCCN1CCO[C@@H](c2ccccc2)C1)c1cc2ccccc2oc1=O 23127769 NVJXDHUXMUZDPW-JOCHJYFZSA-N 406.482 3.377 0 40 HGAB Cc1ccc(CN(C)C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)cc1 23602476 HIOAXNAWVLDKPH-SFHVURJKSA-N 404.507 3.193 0 40 HGAB COCCn1c(-c2cccc(C)c2)nn(CN2CCN(c3ccccn3)CC2)c1=S 24083841 RCBSKXVZPAAEOF-UHFFFAOYSA-N 424.574 3.211 0 40 HGAB O=C(c1cccc(Br)c1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 24136027 VHVPWWFHICITGL-UHFFFAOYSA-N 401.304 3.342 0 40 HGAB O=C(Nc1cccc(CNC(=O)c2cc(Cl)ccc2-n2cnnn2)c1)c1ccco1 25150948 BGEFVAYNKHGBRZ-UHFFFAOYSA-N 422.832 3.091 0 40 HGAB C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)NC1CCN(CCc2ccccc2)CC1 27934205 BWZQWTBEVRONAW-IBGZPJMESA-N 403.526 3.325 0 40 HGAB COc1ccccc1N1CCN(C(=O)CCn2nc(C)c(Br)c2C)CC1 27969277 BHTLFXUWBPMFDF-UHFFFAOYSA-N 421.339 3.010 0 40 HGAB Cc1ccc(C(=O)[C@H](C)Sc2ccc(S(=O)(=O)N3CCOCC3)cn2)cc1C 31751826 KBVUDXFARKWBOG-INIZCTEOSA-N 420.556 3.083 0 40 HGAB Cc1c(NC(=O)CCN2CCC[C@H](C(F)(F)F)C2)c(=O)n(-c2ccccc2)n1C 32870766 ZHSFTMGSWJQYTF-HNNXBMFYSA-N 410.440 3.087 0 40 HGAB Cc1c(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cnn1-c1ccc(C(F)(F)F)cn1 32895694 YPHKVGXTVWIKLW-UHFFFAOYSA-N 402.336 3.016 0 40 HGAB COC(=O)c1cc(CNS(=O)(=O)c2cc(Cl)cc(Cl)c2)ccc1OC 33047661 AFBBELDXQJJKQB-UHFFFAOYSA-N 404.271 3.267 0 40 HGAB CC(C)c1ccc(-n2nnnc2C2(N3CCNCC3)C3CC4CC(C3)CC2C4)cc1 35170758 BBJKJMVDAGPGGW-UHFFFAOYSA-N 406.578 3.342 0 40 HGAB CCOc1ccc(NC(=O)c2sc3ncn(CCCOC)c(=O)c3c2C)cc1 35672684 GNQAHDFCZBOVCC-UHFFFAOYSA-N 401.488 3.454 0 40 HGAB COc1ccc2[nH]cc(CCNC(=O)C(=O)Nc3cccc4c(O)cccc34)c2c1 36369853 JAVXQYBOAHBAMF-UHFFFAOYSA-N 403.438 3.333 0 40 HGAB biogenic Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1C(=O)C(=O)N1C[C@H](C)OC[C@@H]1C 45448627 IIIHNUGFOMTYCA-RYUDHWBXSA-N 409.408 3.326 0 40 HGAB O=C(COC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl)NC1CCCC1 47770323 CTYCQLSUPFNDPR-INIZCTEOSA-N 413.301 3.200 0 40 HGAB O=S(=O)(/N=C(\O)[C@@H]1CCCN(c2ccc(Cl)nn2)C1)c1cccc(Cl)c1 48496087 SCHKWILGIOVVOI-LLVKDONJSA-N 415.302 3.345 0 40 HGAB CC(=O)Nc1cccc(Nc2c(C(=O)N3CCOCC3)cnc3nc(C)ccc23)c1 49004863 MFWNWGYMLYIZPT-UHFFFAOYSA-N 405.458 3.113 0 40 HGAB COc1ccc(-n2cc(C(=O)O)c3c2[C@@H](c2cccc(O)c2)CC(=O)N3)c(OC)c1 49543347 FAQGMGXIIKKCNR-OAHLLOKOSA-N 408.410 3.372 0 40 HGAB biogenic O=C(CSc1nc2[nH]ncc2c(=O)n1-c1ccccc1)Nc1cc(F)ccc1F 51316704 DIAKJNWJSGCHIN-UHFFFAOYSA-N 413.409 3.118 0 40 HGAB COc1ccc([C@H](C)NC(=O)Cn2cc(-c3ccccc3)c(N3CCOCC3)n2)cc1 62006883 MNOAUACEXRSETF-SFHVURJKSA-N 420.513 3.273 0 40 HGAB Cc1ccc(-c2nc3c(c(=O)n2CC(=O)Nc2c(C)cccc2C)CN(C)CC3)cc1 62007123 XPFMOXRGLGPCHX-UHFFFAOYSA-N 416.525 3.462 0 40 HGAB CCOC(=O)C1=C(CN2CCCCC2)NC(=O)N[C@H]1c1cccc(Br)c1 67286154 AQJIMNLYALWSOI-KRWDZBQOSA-N 422.323 3.106 0 40 HGAB C[C@@H](OC(=O)[C@@H]1Cc2ccccc2C(=O)O1)C(=O)Nc1ccc(N2CCCCC2)cc1 71863291 ZPJOJZQKKIXLRD-IERDGZPVSA-N 422.481 3.329 0 40 HGAB COc1ccc2c(c1)N[C@]1(COC3(CCN(Cc4nccn4C)CC3)C1)c1cccn1-2 72327218 FOWIXOGDGUPHCC-XMMPIXPASA-N 419.529 3.295 0 40 HGAB Cc1nccc(-c2ccc(-c3noc(CN4CCN(c5ccccn5)CC4)n3)cc2)n1 72339991 WPMKGKSVCDXMEW-UHFFFAOYSA-N 413.485 3.219 0 40 HGAB Cc1ccc(N2CC[C@H](C(=O)NCc3ccnn3CCc3ccccc3)C2=O)cc1C 79070483 BJNRVKCFYZMNHR-HSZRJFAPSA-N 416.525 3.412 0 40 HGAB COc1ccc(CCNC(=O)CN2C(=O)c3ccccc3Oc3ncccc32)cc1 96118902 WHFXMUHHVYDSID-UHFFFAOYSA-N 403.438 3.202 0 40 HGAB O=C(CCc1cc(Br)ccc1OC(F)F)N1CCc2ncncc2C1 96122781 XWWKWZDFIAKKPX-UHFFFAOYSA-N 412.234 3.358 0 40 HGAB CCc1ccc(N2C(=O)[C@@H]3[C@@H](N=NN3Cc3nc(-c4ccc(C)cc4)no3)C2=O)cc1 101274989 HXQROEYSWXQPRW-MOPGFXCFSA-N 416.441 3.101 0 40 HGAB CCc1ccc(N([C@H](C)C(=O)NCCCc2ccc(C)cc2)S(C)(=O)=O)cc1 220284261 YPWIEWGAKZQHKH-GOSISDBHSA-N 402.560 3.461 0 40 HGAB COc1ccccc1CCCNC(=O)c1ccc(C)c(N2CCCCS2(=O)=O)c1 222571493 HWJXGIOHGBIATG-UHFFFAOYSA-N 416.543 3.296 0 40 HGAB C[C@H]1Cc2cc(S(=O)(=O)NCc3ccccn3)ccc2N1C(=O)c1ccccc1 223267055 IQMNEZYMWQOEGR-INIZCTEOSA-N 407.495 3.152 0 40 HGAB CCc1ccc(OCCNC(=O)[C@@H](C)N(c2cc(C)ccc2C)S(C)(=O)=O)cc1 224042378 SCYRWTNJYSQOFL-GOSISDBHSA-N 418.559 3.216 0 40 HGAB Cc1ccc2c(c1)[C@@H](NS(=O)(=O)c1ccc3c(c1)sc(=O)n3C)CC(C)(C)O2 225681823 JREWKMDKSKHNIX-HNNXBMFYSA-N 418.540 3.489 0 40 HGAB COc1ccc(N(C)C(=O)C2CCN(S(=O)(=O)c3cc(C)ccc3C)CC2)cc1 225924858 WTJHOTPKTICNBK-UHFFFAOYSA-N 416.543 3.376 0 40 HGAB CC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C(=O)O)cc(Cl)c2Cl)cc1 226354499 OFOMQFKTASNDLQ-UHFFFAOYSA-N 403.243 3.451 0 40 HGAB COc1cccc([C@H]2OCC[C@@]34C[C@@H](C[C@H]23)C(C)(C)[C@@H]4NC(=O)CCO)c1OC 257286598 PMENUEUBJVTHHQ-HDBKPMCMSA-N 403.519 3.085 0 40 HGAB COc1cccc(Cc2cc(C)nc([C@@H]3CN(C(=O)c4cnc(C)cn4)CCO3)c2)c1 257313629 UTKDNPRTNDATEN-QHCPKHFHSA-N 418.497 3.302 0 40 HGAB CCn1c(CCCC(=O)N(C)[C@@H]2CC[C@@H](n3ccnc3C)[C@@H]2O)nc2ccccc21 257332404 XXEUEJPBQDXCRV-TXTKFYIRSA-N 409.534 3.107 0 40 HGAB COc1cc2c(cc1CN1CCO[C@@H](c3cncc(Nc4ncccn4)n3)C1)CCC2 257343897 ZUULMRJQUVRHAF-OAQYLSRUSA-N 418.501 3.081 0 40 HGAB COCCCNC(=S)Nc1nc(N2CCC[C@H](C)C2)cc(N2CCCC[C@H]2C)n1 260737646 MUFXBVBFHVLSFA-DLBZAZTESA-N 420.627 3.415 0 40 HGAB CCCC[C@@H](CC)CNC(=O)[C@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1 260844148 FTIGXUTXMSLCIZ-CXAGYDPISA-N 402.944 3.200 0 40 HGAB O=C(c1ccc(C(F)(F)F)nc1)N1CCC(S(=O)(=O)Cc2ccccc2)CC1 390831393 ROHWDYNJWHPFBT-UHFFFAOYSA-N 412.433 3.320 0 40 HGAB CCOC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)cc1 408595438 QFZMFDDHEDTTOJ-UHFFFAOYSA-N 417.531 3.383 0 40 HGAB O=C(NCCCn1ccnc1)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1 408617414 GLIDDQAAFSINNG-OAQYLSRUSA-N 410.499 3.070 0 40 HGAB Cc1c(Cl)cccc1N1C[C@H](C(=O)OCC(=O)N[C@H](C)c2ccccc2)CC1=O 408672720 ZPUMATOAQZDCQF-NVXWUHKLSA-N 414.889 3.422 0 40 HGAB C[C@@H]1CCCC[C@H]1NC(=O)C(=O)Nc1ccccc1C(=O)NCCc1ccccc1 408710152 QGANTHPKOKCPIK-YLJYHZDGSA-N 407.514 3.293 0 40 HGAB CC(C)OC(=O)CN1C(=O)S/C(=C/c2cccn2-c2cccc(C(=O)O)c2)C1=O 409107082 UREGRAXXHLKZMS-MHWRWJLKSA-N 414.439 3.163 0 40 HGAB COc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)ccc1OCC(N)=O 409214169 WJUUXFQEIJHQQX-LZYBPNLTSA-N 418.858 3.454 0 40 HGAB CC[C@@H](C)Oc1ccc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3OC)C2=O)cc1 409236742 GZGRQLLTLBOUON-DQPIFXJKSA-N 423.469 3.404 0 40 HGAB CCOC(=O)Cn1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)c2ccccc21 409255042 XPIHPFIESMMZOD-XDHOZWIPSA-N 403.438 3.297 0 40 HGAB C[C@@]1(c2ccccc2)CCCN(C(=O)NCc2ccc([C@@]3(C)NC(=O)NC3=O)cc2)C1 502764236 VMHCCEOHEGFFIY-DNQXCXABSA-N 420.513 3.005 0 40 HGAB CN1C(=O)C2(CCNCC2)C[C@@H]1Cc1cccc(-c2cnc3ccc(Cl)cn23)n1 585263414 YTFQWJLNJAETKF-KRWDZBQOSA-N 409.921 3.193 0 40 HGAB Cc1cccc(OC[C@@]2(O)CN(C[C@]3(O)CC[C@@H](C(C)(C)C)CC3)CC[C@@H]2O)c1 585287200 KXVLGQITDZTHHE-SJROBZAFSA-N 405.579 3.139 0 40 HGAB Cc1nc(N2C[C@@H]3C[C@@H](C)N(c4nccc(C(F)(F)F)n4)[C@H]3C2)c2ccncc2n1 1888888505 NEUWETIINZDRAH-FFSVYQOJSA-N 415.423 3.246 0 40 HGAB COc1ccc(Cc2nc3c4cnn(Cc5ccccc5)c4ncn3n2)cc1OC 794133 MNBOPGUHZYYBHS-UHFFFAOYSA-N 400.442 3.130 0 40 HGAB Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccccc3)N3CCCC3)cc2c1 889009 KKOWKMXWVIYQAT-NRFANRHFSA-N 400.486 3.057 0 40 HGAB Cc1nn(-c2ccccc2)c2c1cc1c(=O)n(C)c(=O)nc-1n2-c1cccc(Cl)c1 2238747 CYIBKPYGCRNQPW-UHFFFAOYSA-N 417.856 3.337 0 40 HGAB C[C@H](Sc1ccc2c(c1)OCCO2)C(=O)Nc1ccc(N2CCOCC2)cc1 3279035 KXWLZBUPZVNHHV-HNNXBMFYSA-N 400.500 3.414 0 40 HGAB COc1ccccc1-c1nnc(SCC(=O)Nc2ccc(F)c(Cl)c2)n1N 3338374 CUAWVEICROKPCL-UHFFFAOYSA-N 407.858 3.191 0 40 HGAB CCc1ccc(-n2c(SCC(=O)NC[C@@H]3CCCO3)nc3ccccc3c2=O)cc1 3487745 ZGSDDCJEJGRQCS-SFHVURJKSA-N 423.538 3.335 0 40 HGAB CCc1ccccc1Nc1nc(N)nc(COC(=O)c2ccc(NC(C)=O)cc2)n1 3545076 IOGZLGDIRAIQRA-UHFFFAOYSA-N 406.446 3.075 0 40 HGAB Cc1ccc(NC(=O)Cn2cnc3c(cnn3-c3ccccc3C)c2=O)cc1Cl 4479080 VTECTCSDLCFDFW-UHFFFAOYSA-N 407.861 3.491 0 40 HGAB O=C(N[C@H]1CCSc2ccccc21)c1cccc(S(=O)(=O)N2CCCC2)c1 5425914 SYORIHQAOJLFFG-SFHVURJKSA-N 402.541 3.438 0 40 HGAB Cc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)cc1C 5558683 PALKBPLVTXKOJP-UHFFFAOYSA-N 408.907 3.230 0 40 HGAB Cc1cc(Cl)ccc1NC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 5577980 CANLOFPWJBWCCZ-UHFFFAOYSA-N 422.934 3.241 0 40 HGAB CCOc1ccc(Br)cc1S(=O)(=O)N(C)c1cccc(OC)n1 5638186 OJWUBSTVSUQIQO-UHFFFAOYSA-N 401.282 3.077 0 40 HGAB Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)OC(=O)Cc1n[nH]c(=O)c2ccccc12 5754788 OGDDALFZMUFKDP-OAHLLOKOSA-N 407.470 3.468 0 40 HGAB COCCCNC(=O)CN(C1CCCCC1)S(=O)(=O)c1c(C)cc(C)cc1C 6607131 HPZWEMUWDFEANP-UHFFFAOYSA-N 410.580 3.088 0 40 HGAB O=C1O[C@@H](C(=O)Nc2n[nH]c(SCc3ccc(Cl)cc3)n2)Cc2ccccc21 6648512 RPFLHAOLGQAYAB-OAHLLOKOSA-N 414.874 3.471 0 40 HGAB CCc1ccc(O[C@@H](C)C(=O)N(Cc2ccc(C)o2)[C@@H]2CCS(=O)(=O)C2)cc1 6810370 VNZMDSVRMPKKCU-FUHWJXTLSA-N 405.516 3.134 0 40 HGAB CC(=O)c1cccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3C)C2)c1 8039111 VKFRSPRPMAHJCX-GOSISDBHSA-N 408.454 3.041 0 40 HGAB Cc1cnc(C(=O)Nc2cccc(S(=O)(=O)Nc3cccc(Cl)c3)c2)cn1 8327577 WUUREOXCFPJEBJ-UHFFFAOYSA-N 402.863 3.492 0 40 HGAB CN(C)[C@@H](CNC(=O)[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1)c1ccccc1 8343738 QCTZGXAMRXUDJU-APWZRJJASA-N 419.447 3.477 0 40 HGAB Cc1cc(C)cc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)c1 8479955 JXQUVHBCYJZIOI-QGZVFWFLSA-N 402.516 3.494 0 40 HGAB Cc1ccccc1C(=O)NCc1nn(CC(=O)Nc2cccc(C)c2C)c(=S)n1C 8570980 GDDVYLKRCZDGCC-UHFFFAOYSA-N 423.542 3.445 0 40 HGAB CSc1nc(N2CCCCC2)c2cnn(CCNC(=O)c3cccc(F)c3)c2n1 8945744 UYRZJJCFBUEETL-UHFFFAOYSA-N 414.510 3.108 0 40 HGAB Cc1ccc2c(c1)C[C@@]1(CN2C)C(=O)NC(=O)N([C@@H](C)CCc2ccccc2)C1=O 9089598 XKZHFSRLQGIMQN-BXKMTCNYSA-N 405.498 3.073 0 40 HGAB Cc1ccc(Cl)c(NC(=O)COC(=O)c2nn(C)c(=O)c3ccccc23)c1Cl 9283397 UENXUYUOLCPFBX-UHFFFAOYSA-N 420.252 3.344 0 40 HGAB CCN(CC)CCNC(=O)c1ccccc1NC(=O)c1ccc(Br)o1 10312926 NVSQWTQDJKFYSG-UHFFFAOYSA-N 408.296 3.366 0 40 HGAB Cc1cc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Cl)cc2)no1 12028783 FVAOAWZFDLEWGN-KRWDZBQOSA-N 419.890 3.165 0 40 HGAB O=S(=O)(N1CCCC1)N1[C@H](COc2cccc(C(F)(F)F)c2)[C@H]2CC[C@@H]1C2 12085320 PMERYZRFVXHACU-YSVLISHTSA-N 404.454 3.278 0 40 HGAB CS(=O)(=O)N1CCc2cc(C(=O)N3CCCC[C@H]3c3nc4ccccc4[nH]3)ccc21 12116154 QKFIUAXRQWJPHV-FQEVSTJZSA-N 424.526 3.252 0 40 HGAB COc1ccc2c(c1)C(=O)NCC1(CCN(C(=O)c3cc(C)c(C)s3)CC1)O2 12227138 IWCYWFPWAAFKCF-UHFFFAOYSA-N 400.500 3.171 0 40 HGAB COc1ccc2c(=O)c(Oc3ccc(C(=O)N4CCN(C)CC4)cc3)c(C)oc2c1 12322533 GPMWXIQGWRUIPX-UHFFFAOYSA-N 408.454 3.290 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2ccc(OC(F)F)cc2)cc1 12758396 ISYJYQROQKRZNN-QGZVFWFLSA-N 410.442 3.388 0 40 HGAB O=C(Cn1nc(-c2ccc(F)cc2)oc1=O)Nc1ccc2c(c1)OC1(CCCC1)O2 12762168 LLXVRMKWEAQVTC-UHFFFAOYSA-N 411.389 3.323 0 40 HGAB COc1cc(NC(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)cc(OC)c1OC 12882440 RMXZXSIHCMUVAK-LBPRGKRZSA-N 404.850 3.357 0 40 HGAB O=C(CN1CCN(C(=O)c2cc3ccccc3cc2O)CC1)Nc1ccc(F)cc1 12900607 PTFQPBJDJOYHQS-UHFFFAOYSA-N 407.445 3.081 0 40 HGAB C[C@@H](NC(=O)c1cccc(I)c1)c1ccc(-n2cncn2)cc1 12939582 SDVLXLSQVYEMNS-GFCCVEGCSA-N 418.238 3.363 0 40 HGAB COc1ccc(F)cc1S(=O)(=O)N(C)CC(=O)Nc1cccc(C(F)(F)F)c1 13580996 DXBZJTLWLWMSEQ-UHFFFAOYSA-N 420.384 3.112 0 40 HGAB CCOc1ccc(CNC(=O)CN(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1 13675450 XEWISTDHOYVVCU-UHFFFAOYSA-N 410.923 3.130 0 40 HGAB C[C@@H]1Cc2ccccc2N1C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 15576732 HAWBXZRSRBVUHW-WBVHZDCISA-N 402.491 3.204 0 40 HGAB Cc1cc(C)c(NC(=O)CNC(=O)CN2CCN(c3cccc(C)c3C)CC2)c(C)c1 16484510 SUSAIXLTLUFAAH-UHFFFAOYSA-N 422.573 3.106 0 40 HGAB Cc1ccc([C@H](NC(=O)[C@H](C)Oc2ccc(-n3cnnn3)cc2)c2cccnc2)cc1 19136578 MZHDMAUHNGSPDR-JTSKRJEESA-N 414.469 3.039 0 40 HGAB Cn1cc(-c2cc(C(=O)N3CCCN(c4ccccn4)CC3)c3ccccc3n2)cn1 19290737 BRHJBDWLIRNEJT-UHFFFAOYSA-N 412.497 3.383 0 40 HGAB O=C([C@H]1CCCN(c2ccccn2)C1)N1CCC(c2nnc3n2CCCCC3)CC1 19402032 WWINTBHUAPYVQH-IBGZPJMESA-N 408.550 3.022 0 40 HGAB COc1cc(CN2CCc3c(nc(C(C)C)nc3N3CCOCC3)C2)cc(OC)c1 19453675 QGTHEYBMKCCKRE-UHFFFAOYSA-N 412.534 3.012 0 40 HGAB CCc1noc(C)c1C(=O)N1CCC[C@H](c2cc(NC)nc(-c3cccnc3)n2)C1 19521205 ZJUZAXGSKMQXEL-INIZCTEOSA-N 406.490 3.459 0 40 HGAB CCc1cc(C(F)(F)F)c2c([C@H]3CCCN(C(=O)[C@@H](C)n4cncn4)C3)noc2n1 19521932 VDHWGMLKNBOHFW-NEPJUHHUSA-N 422.411 3.363 0 40 HGAB CCn1nc(C)c([C@@H](C)NC(=O)c2cccc3c2C(=O)N(C[C@H]2CCCO2)C3)c1C 19523775 ZEXFNXIQBJBVRQ-RDTXWAMCSA-N 410.518 3.146 0 40 HGAB CC1CCC2(CC1)NC(=O)N(CC(=O)Nc1ccccc1OCc1ccccn1)C2=O 19715361 HYLXPQMKDGHGCY-UHFFFAOYSA-N 422.485 3.100 0 40 HGAB O=C(Cc1ccccc1)N1CCC(CC(=O)N2CCCC[C@@H]2CN2CCCC2)CC1 19748237 GURWGZYBESUSPR-HSZRJFAPSA-N 411.590 3.335 0 40 HGAB O=C([C@H]1CCCN(S(=O)(=O)Cc2cccc(Cl)c2)C1)N1CCc2ccccc21 19860630 SJNCEAMCUVGJSG-SFHVURJKSA-N 418.946 3.471 0 40 HGAB CCN(CC(=O)N[C@@H](C)c1ccccc1OC)S(=O)(=O)c1ccc(Cl)cc1 20014095 DUOMTBBGGYNVDB-AWEZNQCLSA-N 410.923 3.237 0 40 HGAB COc1ccccc1/C=C/C(=O)Nc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1 20110910 ATEUVUVFEIEKAW-KPKJPENVSA-N 424.482 3.246 0 40 HGAB COc1cc(OC)c(NC(=O)CCC2=Nc3ccccc3S(=O)(=O)N2)cc1Cl 21661339 QJRMIIIZXUCZEG-UHFFFAOYSA-N 423.878 3.098 0 40 HGAB COc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2C(=O)NCCC2=CCCCC2)c1 22229612 NQEXSIGLTSOHCL-IBGZPJMESA-N 406.548 3.163 0 40 HGAB CCCCNC(=O)COc1ccc(N(Cc2ccc(C)cc2)S(C)(=O)=O)cc1 22231480 ZTEJTSHXFJSFHG-UHFFFAOYSA-N 404.532 3.256 0 40 HGAB CCCCC[C@H](C)NC(=O)CCc1nc2cc(S(N)(=O)=O)ccc2n1CCC 22512576 BQLWFOXOEVMSJU-HNNXBMFYSA-N 408.568 3.111 0 40 HGAB CCOc1ccc([C@H](C)NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)cc1 22513873 ACSFVGYWLJPZQK-DOTOQJQBSA-N 422.572 3.425 0 40 HGAB C[C@H](NC(=O)C(=O)NC[C@H](c1ccco1)N1CCc2ccccc2C1)c1ccccc1 22907561 PTKKRAHNDJQKSV-PGRDOPGGSA-N 417.509 3.373 0 40 HGAB O=C(c1cccnc1N1CCCC1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 23805452 NCOVASPUKIVAMV-UHFFFAOYSA-N 405.424 3.058 0 40 HGAB COC(=O)c1cn(CC(=O)N(C)[C@H](C)c2ccc(-n3cncn3)cc2)c2ccccc12 24331892 WFWYSTVUGZJODP-MRXNPFEDSA-N 417.469 3.228 0 40 HGAB COCCNC(=O)c1ccccc1NC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 30940027 PUPWYGIJZYYFCV-GOSISDBHSA-N 413.493 3.053 0 40 HGAB Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3cccc(OC(F)(F)F)c3)C2=O)cc1 31030966 OIXPPRGYJDFNMP-LJQANCHMSA-N 421.375 3.299 0 40 HGAB Cc1ccc(-c2nnc(CCC(=O)N3CCC[C@@H]3c3nnc4ccccn34)o2)cc1 31505496 QJRYUWPCYBTCFZ-QGZVFWFLSA-N 402.458 3.384 0 40 HGAB O=C(CN1C(=O)NC2(CCCC2)C1=O)Nc1ccccc1N1CCc2ccccc21 31532553 IUUQWGLMOHQHAC-UHFFFAOYSA-N 404.470 3.184 0 40 HGAB O=C(c1cccc(S(=O)(=O)N2CCCC2)c1)N1CCC(c2ccc(O)cc2)CC1 32892957 MXRKMFIXRWPFPB-UHFFFAOYSA-N 414.527 3.197 0 40 HGAB O=C1CN(c2ccc(NC(=O)c3cc(Br)ccc3Cl)cc2)CCN1 32912862 VVUFWJIXEMVHDB-UHFFFAOYSA-N 408.683 3.291 0 40 HGAB Cc1ccc2[nH]cc(CCN3C[C@H](C(=O)Nc4ccc5c(c4)OCO5)CC3=O)c2c1 35558724 LXADSHQGBGBXIU-MRXNPFEDSA-N 405.454 3.235 0 40 HGAB CC(=O)Nc1ccc(NC(=O)c2ccc(Cn3cnc4ccccc4c3=O)o2)cc1 36353456 HGAYDCMZUNDISH-UHFFFAOYSA-N 402.410 3.249 0 40 HGAB COC(=O)c1ccc(NC(=O)CN2CCC(Cn3c(C)nc4ccccc43)CC2)cc1 36708911 BSRGRVBUTXXDNS-UHFFFAOYSA-N 420.513 3.482 0 40 HGAB Cn1cc(CC(=O)N2CCN(C(=O)[C@H]3C[C@H]3c3ccc(F)cc3)CC2)c2ccccc21 38729758 JUGDKBMEEAOFIG-VXKWHMMOSA-N 419.500 3.334 0 40 HGAB C[C@H](NC(=O)[C@H]1CCN(S(C)(=O)=O)c2cc(Cl)ccc2O1)c1ccccc1 38832893 AVNLIDXDPUSIBI-SCLBCKFNSA-N 408.907 3.135 0 40 HGAB Cc1ccccc1-n1ncc(C(=O)Nc2ccc(-n3cncn3)nc2)c1C(F)(F)F 40074011 CWZLMGWCFPDGHY-UHFFFAOYSA-N 413.363 3.428 0 40 HGAB Cc1nc2cc(F)ccc2cc1C(=O)NCc1ccc(N2CCCN(C)CC2)nc1 40152046 GFYRCJLBHIYMBB-UHFFFAOYSA-N 407.493 3.149 0 40 HGAB O=C1C[C@H](c2ccc(Cl)cc2)[C@H](n2cncn2)C(=O)[C@H]1[C@H]1NCCc2ccccc21 49581143 NBBYHVVEXVSNGZ-YJMBLLCNSA-N 420.900 3.302 0 40 HGAB NC(=O)c1csc(C(=O)Nc2ccccc2NS(=O)(=O)c2ccc(F)cc2)c1 53477002 KEVDNECNGOYIQC-UHFFFAOYSA-N 419.459 3.039 0 40 HGAB Cc1cccc(N2CCN(C[C@H]3C(=O)O[C@@H]4CC5=CCC[C@H](C)[C@@]5(C)[C@H](O)[C@H]34)CC2)c1 61997548 VPMFYHWUKMLBMB-PHJBHIMUSA-N 424.585 3.402 0 40 HGAB Cc1ccc(-c2cn(CC(=O)NCc3ccccc3F)nc2N2CCOCC2)cc1 62006904 LTKCJSZETXGFQW-UHFFFAOYSA-N 408.477 3.151 0 40 HGAB C[C@@H]1CN(c2ccc(NC(=O)c3ccc(CS(C)(=O)=O)cc3)cc2F)C[C@@H](C)O1 65576618 TVGGTBGRBLZGSG-HUUCEWRRSA-N 420.506 3.236 0 40 HGAB CCOc1cc(-c2ccccc2)sc1C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 71926962 SFNMKVPGRJDHQM-UHFFFAOYSA-N 422.510 3.397 0 40 HGAB O=c1[nH]c(-c2ccccn2)nc2c1CCN(Cc1ccc(OC(F)(F)F)cc1)C2 72336789 BNRWZLFLTTXCSR-UHFFFAOYSA-N 402.376 3.289 0 40 HGAB COC(=O)c1ccc(S(=O)(=O)N(CCc2ccccc2)Cc2ccccn2)cc1 77200803 YZBUADYYTGMWEA-UHFFFAOYSA-N 410.495 3.302 0 40 HGAB CC(C)(C)C[C@H](NC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)c1ccc(Cl)cc1 78870164 GLWJWCOHSGLUPV-KRWDZBQOSA-N 421.950 3.431 0 40 HGAB Cc1cc(Br)c(O)c(C(=O)N2CCC(C(=O)Nc3nccs3)CC2)c1 89568682 IVOIKBJWEQTORY-UHFFFAOYSA-N 424.320 3.411 0 40 HGAB O=C(N[C@@H](Cc1ccccc1)Cc1c[nH]cn1)c1cccc(OCC(F)(F)F)n1 89830165 NGEPGICWHZZWRW-HNNXBMFYSA-N 404.392 3.330 0 40 HGAB C[C@@H]1CCOCCN1C(=O)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1 95462123 OUZKQGMWIFYILZ-CQSZACIVSA-N 408.907 3.392 0 40 HGAB COc1ccc(CN2C(=O)N[C@@H](CCC(=O)Nc3ccc4ccn(C)c4c3)C2=O)cc1 96221927 MKYGPMLUMXVIHF-IBGZPJMESA-N 420.469 3.026 0 40 HGAB biogenic Cn1cccc1CN1CCOCC2(CCN(C(=O)Nc3ccc(F)cc3)CC2)C1 96239876 ORMUMXQJYKRRNX-UHFFFAOYSA-N 400.498 3.311 0 40 HGAB N[C@H](C(=O)NC[C@H]1CC[C@H](c2ccnc(Nc3cncnc3)n2)CC1)c1ccccc1 100708801 DDQOCAOLNDFPTE-FVJLSDCUSA-N 417.517 3.100 0 40 HGAB O=C(COC(=O)c1ccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1)c1ccc(F)cc1 101226652 BXXDWNDAWGFSBM-OALUTQOASA-N 407.397 3.321 0 40 HGAB CC(C)=C1[C@H]2CC[C@H]1[C@@H]1C(=O)N(NC(=O)COc3ccc(Cl)c(C)c3)C(=O)[C@@H]21 101708643 YDCNKOPFLPYAPU-QZCPTFHJSA-N 402.878 3.036 0 40 HGAB COc1ccc(N(CCCC(=O)N[C@@H]2CCCc3ccccc32)S(C)(=O)=O)cc1 113960925 LPTCZPVIPRFWIZ-OAQYLSRUSA-N 416.543 3.435 0 40 HGAB CCOc1ccccc1CNC(=O)c1ccc(C)c(N2CCCCS2(=O)=O)c1 222574131 XXQXMELJKJAADM-UHFFFAOYSA-N 402.516 3.254 0 40 HGAB CC(C)Oc1ccc(CNC(=O)c2ccc(N3CCCCS3(=O)=O)cc2)cc1 222588144 RUYRDZYUUZNJTA-UHFFFAOYSA-N 402.516 3.334 0 40 HGAB CNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)COc1cccc2ccccc12 222859378 AZXAUQLDODMEIE-QGZVFWFLSA-N 406.482 3.391 0 40 HGAB C[C@@H](NC(=O)[C@@H](C)N(c1ccc(F)cc1)S(C)(=O)=O)c1ccc2c(c1)CCC2 223187210 WLQOGMJCZWLCIB-HUUCEWRRSA-N 404.507 3.346 0 40 HGAB CCn1c(=O)sc2cc(S(=O)(=O)NCCOc3ccccc3Cl)ccc21 225699080 DSYMGOGPLSXFAE-UHFFFAOYSA-N 412.920 3.094 0 40 HGAB CC[C@@H](NC(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O)c1ccc(OC)c(C)c1 225731218 NSWHKMJAPKVVOR-LJQANCHMSA-N 420.531 3.046 0 40 HGAB COc1ccc2c(c1)O[C@@]1(C[C@H]3CC[C@H]1C[C@@H]3C(=O)NCc1cccs1)NC2=O 247968577 TWBQDQTVERPRNQ-DUGAHGDYSA-N 412.511 3.328 0 40 HGAB CC[C@H](O)C[C@@H]1CC[C@H]([C@H](C)C(=O)O[C@H](CC)C[C@@H]2CC[C@@H]([C@@H](C)C(=O)O)O2)O1 253388201 WGVQPPKZKAJDGR-XRCRNOGCSA-N 414.539 3.311 0 40 HGAB biogenic,in-vitro Cc1cc(O)n2nc([C@H]3CCCN3C(=O)CC34C[C@H]5C[C@@H](CC(O)(C5)C3)C4)cc2n1 253600498 RKIQTYRKYJGIMP-XPGIJCKBSA-N 410.518 3.128 0 40 HGAB C[C@H]1CCCN(c2cc(N3CCCCC3)nc(NC(=S)NC[C@H]3CCCO3)n2)C1 260715020 LKOGFPNCJAAYQB-DLBZAZTESA-N 418.611 3.169 0 40 HGAB CN1CCN(C(=O)c2ccoc2)C[C@@H]1c1nnn2cc(-c3cccc(F)c3)ccc12 306124238 BKIHZRRDALHJIM-HXUWFJFHSA-N 405.433 3.257 0 40 HGAB CCOc1ccc(NC(=O)C(=O)NCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 408550170 ATEWPFNPCRKFQG-UHFFFAOYSA-N 410.257 3.086 0 40 HGAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC(C)CC3)CC2)cc1C 408559606 MUJZWYQKDMVNMV-UHFFFAOYSA-N 408.564 3.053 0 40 HGAB CO[C@H]([C@H](C)C(=O)N[C@H](C)[C@@H](O)c1ccccc1)[C@H]1CCCN1C(=O)OC(C)(C)C 504148179 XJDVGABQIFOWFC-APQLOABGSA-N 420.550 3.275 0 40 HGAB O=C(NCCc1cc2ccccc2[nH]1)N[C@@H]1CCCN(C(=O)Cc2ccccc2)C1 511525397 ZSDJGOBVZJGCFA-OAQYLSRUSA-N 404.514 3.243 0 40 HGAB CN(C(=O)CCC(=O)N1CCN(c2ccccn2)CC1)[C@H]1CCCc2ccccc21 532201805 MSXVAWVGSKMOQJ-NRFANRHFSA-N 406.530 3.046 0 40 HGAB CS(=O)(=O)c1nccn1-c1cccc(C(=O)NCc2ccccc2C(F)(F)F)c1 575606361 GTDFOHXGRJCFAQ-UHFFFAOYSA-N 423.416 3.225 0 40 HGAB O=C(OCCF)N1CCC2(CC1)Cc1ccccc1CN(Cc1ccncc1)C2=O 585105829 RFLCAHGZTRRZRR-UHFFFAOYSA-N 411.477 3.355 0 40 HGAB NC(=O)[C@@H](NC(=O)Cc1cc2cc(Cl)ccc2[nH]1)c1cccc(Br)c1 1527236350 VQAQDNAKHGBTNV-KRWDZBQOSA-N 420.694 3.469 0 40 HGAB O=C(CCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12)N[C@@H]1COCC[C@H]1O 1650621928 PSERAVASAJCNMQ-WOJBJXKFSA-N 400.425 3.312 0 40 HGAB Cc1ccc(S(=O)(=O)N2CN(C[C@@H]3CCCO3)c3nc4ccccc4nc32)c(C)c1 2401796 FFGZYOJNOGIJPR-KRWDZBQOSA-N 424.526 3.398 0 40 HGAB CCOC(=O)c1c(NC(=S)NC(=O)c2ccnn2C)sc2c1CCCCC2 2746721 SZEOLSACEZTPLK-UHFFFAOYSA-N 406.533 3.054 0 40 HGAB Cc1c(CNC(=O)c2cnn3c(C(F)(F)F)cc(-c4ccccc4)nc23)cnn1C 2753683 IJGMXSROTJUAQY-UHFFFAOYSA-N 414.391 3.387 0 40 HGAB Cc1ccccc1NC(=O)C1(NC(=O)CN2C(=O)c3ccccc3C2=O)CCCCC1 3146414 KIDFVLJXGJNQRX-UHFFFAOYSA-N 419.481 3.049 0 40 HGAB CN(C(=O)CN1C(=O)N[C@](C)(c2cccc(Br)c2)C1=O)C1CCCCC1 3386984 LILRKLUEODKQEN-LJQANCHMSA-N 422.323 3.007 0 40 HGAB COCCn1c(C)cc(C(=O)CN2C(=O)N[C@@](C)(c3ccccc3Cl)C2=O)c1C 3593526 HTEKFQQWZZYHTO-NRFANRHFSA-N 417.893 3.055 0 40 HGAB COc1cc([C@H]2CC(=O)c3cnc(NC[C@@H]4CCCO4)nc3C2)cc(OC)c1OC 4073389 ASKJYRFEUKZQKF-HIFRSBDPSA-N 413.474 3.006 0 40 HGAB biogenic COCCN1CC(=O)N2C[C@H](c3ccc(C)cc3)c3c([nH]c4ccccc34)[C@@]2(C)C1=O 4084006 WKSWPHSITIGNNA-CLOONOSVSA-N 417.509 3.154 0 40 HGAB biogenic O=C(COC(=O)c1ccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)cc1)c1ccccc1 4133988 NYSTXURAOWURQL-RBUKOAKNSA-N 407.422 3.332 0 40 HGAB CCn1c(C)cc2c(c1=O)[C@H](c1ccc(C(F)(F)F)cc1)C(C(=O)OC)=C(N)O2 4570615 BJEYKPLYKDWLPK-AWEZNQCLSA-N 408.376 3.063 0 40 HGAB COc1ccc(C(=O)CSc2nnc(-c3ccc4c(c3)OCO4)n2C)cc1OC 4736387 KPBWJWJMXHOHJD-UHFFFAOYSA-N 413.455 3.203 0 40 HGAB COC(=O)Cc1c(C)c2ccc(OCC(=O)NC3CCCCCC3)cc2oc1=O 4747529 JOKIFBNHLSGNEL-UHFFFAOYSA-N 401.459 3.035 0 40 HGAB CCOC(=O)Cc1csc(SCC(=O)N2c3ccccc3NC(=O)C2(C)C)n1 5014967 GXWVMHCJOKTHJD-UHFFFAOYSA-N 419.528 3.105 0 40 HGAB CCn1c(SCC(=O)Nc2ccc3c(c2)OCO3)nnc1-c1ccc(OC)cc1 5208393 SRRLPLRUEICWGI-UHFFFAOYSA-N 412.471 3.433 0 40 HGAB CS(=O)(=O)c1ccccc1-c1nnc(NC(=O)CCSc2ccccc2)o1 5240480 ZTHZRNMGHZDGPC-UHFFFAOYSA-N 403.485 3.261 0 40 HGAB COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1I 6457876 KIRXHMLQSRKCLR-UHFFFAOYSA-N 407.204 3.240 0 40 HGAB O=C(CSc1nc(C2CC2)n(-c2ccccc2)n1)NCc1ccc2c(c1)OCO2 6549925 HZAMVPFYXZBRAF-UHFFFAOYSA-N 408.483 3.282 0 40 HGAB C[C@H](OC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1)C(=O)NCc1ccco1 6585394 RVLQVZCTCOCCIE-INIZCTEOSA-N 416.437 3.389 0 40 HGAB Cc1cccc(-n2nnnc2SCC(=O)Nc2ccc3c(c2)OCCCO3)c1C 8074169 UMFUNXDXOMHBPN-UHFFFAOYSA-N 411.487 3.171 0 40 HGAB COc1ccc(C(=O)N[C@H](C)c2cc3ccccc3o2)cc1S(=O)(=O)NC1CC1 8133100 IXOYLVJSXHXUOZ-CYBMUJFWSA-N 414.483 3.373 0 40 HGAB O=C(N[C@H]1CCN2C(=O)c3cc(-c4ccccc4)ccc3NC(=O)[C@H]12)C1CCCC1 8296893 DKIKVZCJGPLQJN-SFTDATJTSA-N 403.482 3.195 0 40 HGAB biogenic,in-vitro COC(=O)C1CCN(C(=O)CSc2nccn2-c2ccc(C(C)C)cc2)CC1 8409610 XJCKDNRMIXXOQL-UHFFFAOYSA-N 401.532 3.499 0 40 HGAB CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1ccc(S(C)(=O)=O)cc1 8412763 MPVXTGUXBVRTCH-UHFFFAOYSA-N 415.298 3.108 0 40 HGAB COc1ccc(NC(=O)COC(=O)CCC(=O)Nc2cc(C)ccc2C)c(OC)c1 8414973 PLJRYBIXWZKYNJ-UHFFFAOYSA-N 414.458 3.221 0 40 HGAB CCc1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccc(NC(C)=O)cc2)cc1 8415204 DXVQICHXERABAR-UHFFFAOYSA-N 411.458 3.108 0 40 HGAB COc1ccc(-c2csc(NC(=O)CNC(=O)COc3ccccc3)n2)cc1F 8775057 FSVHRRBJSIJZCT-UHFFFAOYSA-N 415.446 3.092 0 40 HGAB COc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCC(C)(C)C(=O)N3C)cc1F 9165635 ZVCHEWJHOOGMKB-UHFFFAOYSA-N 408.451 3.017 0 40 HGAB COc1ccccc1Cc1nnc(NC(=O)[C@@H]2CC(=O)N(C3CCCCC3)C2)s1 9426515 WSOKMWIDOAUENT-OAHLLOKOSA-N 414.531 3.257 0 40 HGAB O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)C2=Cc3ccccc3OC2)CC1 9447206 XIUFTHGOVJZRJF-UHFFFAOYSA-N 406.438 3.068 0 40 HGAB C[C@@H]1Cc2ccccc2N1C(=O)Cc1csc(NS(=O)(=O)c2ccccc2)n1 9828699 HBOYAKIPCCGJHH-CQSZACIVSA-N 413.524 3.464 0 40 HGAB C[C@H]1CN(C)CC[C@@H]1CCc1ccc(NC(=O)Cc2ccc(-n3cnnn3)cc2)cc1 12182150 TWMURSCRWCSUNG-RXVVDRJESA-N 418.545 3.364 0 40 HGAB COc1cc(-c2nnc(S)n2Cc2cccc(C(=O)O)c2)cc(OC)c1OC 12389565 RRGOFDHIAGHOLM-UHFFFAOYSA-N 401.444 3.006 0 40 HGAB COc1cccc(-c2nc(COC(=O)c3n[nH]c(=O)c4ccccc34)cs2)c1OC 12786021 AHANNMVFYQNNKD-UHFFFAOYSA-N 423.450 3.421 0 40 HGAB CCOC(=O)C1=C(CSc2nnc(C)s2)NC(=O)N[C@H]1c1ccccc1Cl 13566267 QBLUMEUHGVKHHN-AWEZNQCLSA-N 424.935 3.463 0 40 HGAB Cc1ccccc1N(CC(=O)NC[C@H]1CCCO1)S(=O)(=O)c1ccc(Cl)cc1 14154364 NQGKXBUNJDZVEK-QGZVFWFLSA-N 422.934 3.139 0 40 HGAB Cc1ccc(NC(=O)c2ccc(Br)cc2F)cc1S(=O)(=O)N(C)C 14167120 NEAPRMNWBYUMPQ-UHFFFAOYSA-N 415.284 3.399 0 40 HGAB N=C1NN(c2ccccc2)C(=O)[C@H]1C(=O)CCC(=O)Nc1cccc(C(F)(F)F)c1 17195547 MJCNCWNBFJHLRO-KRWDZBQOSA-N 418.375 3.138 0 40 HGAB CC(C)(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCCN(S(C)(=O)=O)C3)cc2N1 19083364 DCLBVLJMTZXYMI-KWCYVHTRSA-N 408.490 3.356 0 40 HGAB O=C(CN1C(=O)[C@@H]2CCCN2c2ncccc21)NC(c1ccccc1)c1ccccc1 19369553 MGSMDFICUZXICO-NRFANRHFSA-N 412.493 3.303 0 40 HGAB CCNC(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)CN(C(=O)C(C)(C)C)CCO1 19529201 ZUHYSLOPQYUZIK-DEOSSOPVSA-N 409.530 3.071 0 40 HGAB CCOCc1cc(CN2CCc3c(O)nc(-c4ccncc4)nc3C2)ccc1OC 19531178 QWTKEIHHQIRDOU-UHFFFAOYSA-N 406.486 3.348 0 40 HGAB CC(C)CCNC(=O)[C@@]12CCC(=O)N1c1ccccc1C(=O)N2Cc1ccccc1 19678102 MVEITYYUDGZWOG-XMMPIXPASA-N 405.498 3.328 0 40 HGAB CNC(=O)C1(Cc2ccc(-c3ccccc3F)cc2)CCN(C(=O)CCOC)CC1 19700426 VKNCOWZCZFDRSX-UHFFFAOYSA-N 412.505 3.427 0 40 HGAB O=C1CCC[C@H]2[C@@H](C[C@@H](c3ccccc3F)N2C(=O)COc2ccc(F)cc2)N1 19713470 CEZOVKIFWHFRFE-AABGKKOBSA-N 400.425 3.355 0 40 HGAB Cc1ccc(SCCNC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)cc1 19868729 MZSXXBOKLANCGR-MRXNPFEDSA-N 424.613 3.366 0 40 HGAB Cc1ccc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)N3CCOCC3)cc12 19940863 UZIPHBAOKNGAAY-NRFANRHFSA-N 422.533 3.058 0 40 HGAB O=C1CN=C(c2ccccc2)c2c(sc3c2CCCC3)N1CCN1CCOCC1 20084370 BUEDOGVZRDEMOK-UHFFFAOYSA-N 409.555 3.143 0 40 HGAB CN(C)c1ccc(C(=O)N2CC[C@@H](CC(=O)O)[C@@H](CCN3CCCCC3)C2)cc1 20463080 YRSWDJSKRVSDTD-PMACEKPBSA-N 401.551 3.182 0 40 HGAB biogenic,in-vitro Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NC[C@H]3CCCO3)c(Cl)c2)cc1 20483931 JBDYEJRMWWKJCD-OAHLLOKOSA-N 408.907 3.358 0 40 HGAB CC(C)CCNC(=O)COc1ccc(N(Cc2ccccc2)S(C)(=O)=O)cc1 22231313 YEVVPZNZPDQADO-UHFFFAOYSA-N 404.532 3.194 0 40 HGAB C[C@H](Sc1nc(-c2ccc(Cl)cc2)n[nH]1)C(=O)Nc1ccc(C(N)=O)cc1 22557387 LDHMFLDRMRJLGX-JTQLQIEISA-N 401.879 3.343 0 40 HGAB O=S(=O)(c1ccc(F)c(F)c1)N1CCN(Cc2cccc3cccnc23)CC1 24193354 SNBWSCCMXQOOCH-UHFFFAOYSA-N 403.454 3.020 0 40 HGAB COc1cc(COC(=O)CCCN2C(=O)c3ccccc3C2=O)ccc1OC(F)F 25459636 OBGCIVPKVDDCHS-UHFFFAOYSA-N 419.380 3.416 0 40 HGAB COC(=O)C[C@@H](NC(=O)C[C@H](NC(N)=O)c1ccccc1C)c1ccc(Cl)cc1 29977437 DNNAHWGPSUTNHM-MSOLQXFVSA-N 417.893 3.169 0 40 HGAB COc1ccccc1N1C[C@H](C(=O)Nc2nnc(Cc3ccccc3)s2)CC1=O 31816582 DCCWEUZJXKUQPO-OAHLLOKOSA-N 408.483 3.129 0 40 HGAB O=C(Cc1csc(N2CCCC2=O)n1)Nc1ccnn1Cc1cccc(Cl)c1 32772423 ZQRUHMZVCMWPLG-UHFFFAOYSA-N 415.906 3.349 0 40 HGAB COc1ccc(S(=O)(=O)Nc2ccccc2-c2nncn2C)cc1Br 32913175 FANUOIUUTKMMNZ-UHFFFAOYSA-N 423.292 3.054 0 40 HGAB COCCOc1cc(-c2noc([C@@H]3CCCN3Cc3ccc4c(c3)OCO4)n2)ccn1 35424799 RMZBZSIPFRNZQW-KRWDZBQOSA-N 424.457 3.223 0 40 HGAB biogenic,in-vitro C[C@H](CCc1ccccc1)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1F 40160443 YYPNVERGVYUAQO-APWZRJJASA-N 404.507 3.116 0 40 HGAB COc1ccc(CNC(=O)CN2CCC(c3nc(-c4cccc(F)c4)no3)CC2)cc1 49403581 GDLCJMMRTAZKKZ-UHFFFAOYSA-N 424.476 3.380 0 40 HGAB CN1c2cc(F)ccc2C(=O)NC12CCN(C(=O)Cc1ccc(Cl)cc1)CC2 49410057 RQTBHRWCNKBFCD-UHFFFAOYSA-N 401.869 3.220 0 40 HGAB CCc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccc(C)cc4C)ncn3n2)cc1 67208811 PZTAFYKUWTTWRP-UHFFFAOYSA-N 401.470 3.376 0 40 HGAB O=S(=O)(c1ccc(Cl)cc1)c1nnn2c1nc(NC1CC1)c1sccc12 67263385 RUYDSZNBUAXNOG-UHFFFAOYSA-N 405.892 3.400 0 40 HGAB CCOC(=O)[C@H]1CCCN(c2nccn3nc(-c4ccc(OC)c(OC)c4)cc23)C1 67285293 ABUFTIYRNHYPQG-INIZCTEOSA-N 410.474 3.193 0 40 HGAB COCCn1cc(C(=O)Nc2nnc(Cc3ccccc3)s2)c2ccccc2c1=O 71287613 UJJHVVWWKAJVKY-UHFFFAOYSA-N 420.494 3.343 0 40 HGAB N[C@H](Cc1ccccc1)C(=O)N1Cc2cc(Cl)ccc2OC2(CCOCC2)C1 72334287 SIFQOAHLRXEASW-LJQANCHMSA-N 400.906 3.180 0 40 HGAB Cc1cc(-c2cnc(C)nc2C2CCN(CC(=O)NCc3cccs3)CC2)on1 72334653 HDANPECUZLJNPW-UHFFFAOYSA-N 411.531 3.306 0 40 HGAB Cc1nc2cc([C@@H]3CCN(C(=O)C4CC4)C3)nn2c(C)c1CCC(=O)NC1CCCC1 72369603 MZFDNCSCVJXLFB-GOSISDBHSA-N 423.561 3.063 0 40 HGAB NC(=O)c1ccc(NC(=O)CN2CCC(COCc3ccc(Cl)cc3)CC2)cc1 77191623 FRMRAPNAPPOBSU-UHFFFAOYSA-N 415.921 3.306 0 40 HGAB CC[C@@H](NC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1)c1nnc2n1CCCCC2 78733119 ACZVECDTRDBJPF-RHSMWYFYSA-N 415.925 3.278 0 40 HGAB CCc1c(-c2ccc(Br)cc2)n[nH]c1NS(=O)(=O)c1cnn(CC)c1 83817681 ZZQXCLOTNLJVQE-UHFFFAOYSA-N 424.324 3.419 0 40 HGAB Cc1cc(Oc2ccc(I)nc2)n2nc(C(F)(F)F)nc2n1 84109884 GADNNTGCBCUOMY-UHFFFAOYSA-N 421.120 3.243 0 40 HGAB CC(C)[C@H](CNC(=O)c1ccoc1CN1c2ccccc2C[C@@H]1C)N1CCOCC1 89941478 MMXKIBYJWWPKCD-AVRDEDQJSA-N 411.546 3.317 0 40 HGAB CCOC(=O)[C@]12CCCN(Cc3ccncc3)C[C@H]1CN(Cc1cccc(C)n1)C2 96056085 XHDYNLUDZZQYED-URXFXBBRSA-N 408.546 3.062 0 40 HGAB CC(=O)c1ccc(OC(=O)c2cccc(N3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)c2)cc1 101227422 FIWSAFIEUDRWFG-SNHGZMDHSA-N 401.418 3.420 0 40 HGAB O=c1c(CN2CCN(c3cccc(Cl)c3)CC2)coc(O)c1CN1CCCCC1 101373378 QPYCQGZSDMBGPJ-UHFFFAOYSA-N 417.937 3.307 0 40 HGAB CC(=O)N(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@H]2C1=O)c1cccc(C(F)(F)F)c1 101418414 AMEPTHAOWIUPIS-NWCWSAAOSA-N 404.388 3.069 0 40 HGAB COc1ccc(S(=O)(=O)N[C@H]2C[C@H]3CC[C@H]2C3)cc1C(=O)N1CCCCCC1 103221018 ABMUKSQNQMBGAN-BXWFABGCSA-N 406.548 3.178 0 40 HGAB CCN(CC(F)(F)F)C(=O)[C@H]1CCCN([C@H](C)C(=O)NCc2ccc(C)cc2)C1 106920684 YAYOMZWHQGTVCH-AEFFLSMTSA-N 413.484 3.123 0 40 HGAB CC(C)(C)OC(=O)N1CCC(N2CC(Br)=C(Br)C2=O)CC1 217580252 ANTVIVDNZSASES-UHFFFAOYSA-N 424.133 3.230 0 40 HGAB CCS(=O)(=O)N1C[C@H](C(=O)NCCCc2ccc(Cl)cc2)Oc2ccccc21 218788693 ZHVUFLDWAGDXNJ-LJQANCHMSA-N 422.934 3.006 0 40 HGAB CC[C@@H](C(=O)NCCOc1ccc(C)cc1)N(c1cc(C)cc(C)c1)S(C)(=O)=O 220576630 JDJYRGYHQWUDJZ-NRFANRHFSA-N 418.559 3.352 0 40 HGAB CCc1ccc(N(CCCC(=O)NCCOc2ccc(C)cc2)S(C)(=O)=O)cc1 222647187 JMKDURRRZKDITR-UHFFFAOYSA-N 418.559 3.299 0 40 HGAB CCc1ccc(CC)c(CNC(=O)[C@@H](C)N(c2ccc(OC)cc2)S(C)(=O)=O)c1 223924708 HQIVEXNJHZHQLN-MRXNPFEDSA-N 418.559 3.291 0 40 HGAB CCCC[C@@H](CC)CNC(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1 224477998 FTIGXUTXMSLCIZ-DYVFJYSZSA-N 402.944 3.200 0 40 HGAB CCOc1ccc(CN(C)C(=O)c2cccc(N3CCCCS3(=O)=O)c2)cc1 224513781 XIINERYYNMIQQL-UHFFFAOYSA-N 402.516 3.288 0 40 HGAB CC(C)Oc1ccc(NC(=O)[C@H](C)Oc2ccc(N(C)S(C)(=O)=O)cc2)cc1 225056632 QEYQBRKMOGXQMS-HNNXBMFYSA-N 406.504 3.276 0 40 HGAB Cc1nn(-c2ccccn2)c(C)c1CCNC(=O)c1cc(-c2ccc(F)cc2)nn1C 225582651 LZVRTMQZRSGKNG-UHFFFAOYSA-N 418.476 3.396 0 40 HGAB COc1ccccc1[C@]1(O)CCCN(C[C@H](O)c2ccc3c(c2)CCCN3C(C)=O)C1 247935415 LFWQSCDXWXCRGA-ZCYQVOJMSA-N 424.541 3.011 0 40 HGAB CNc1ncccc1CN1CCC[C@H](c2n[nH]cc2C(=O)N(C)Cc2ccccc2)C1 257262854 LNESPIAHVJIMAX-IBGZPJMESA-N 418.545 3.498 0 40 HGAB Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)N[C@H](C)C(C)C)Oc3ccccc32)cc1 260900041 RUWVEOCJTCSFBU-UZLBHIALSA-N 402.516 3.112 0 40 HGAB C[C@H](NC(=O)[C@H](C)N(c1ccc(F)cc1)S(C)(=O)=O)c1ccc2c(c1)CCC2 260947594 WLQOGMJCZWLCIB-GJZGRUSLSA-N 404.507 3.346 0 40 HGAB Cc1ncsc1C(=O)N[C@H]1CCCC[C@]12CN(Cc1cnn(C(C)C)c1)CCO2 306129552 IGTOVVINPFXFGV-RXVVDRJESA-N 417.579 3.173 0 40 HGAB CC(C)n1cnc([C@@H]2CN(C(=O)c3ccccc3)C[C@]23CCN(CC2CC2)C3=O)c1 306132688 LPHXGAULCPHTHW-GBXCKJPGSA-N 406.530 3.332 0 40 HGAB COc1ccccc1NC(=O)Cn1cc(C(=O)C(=O)N2CCCCC2)c2ccccc21 408571014 MTRQAPPZHYHWPO-UHFFFAOYSA-N 419.481 3.484 0 40 HGAB CCOc1ccc(S(=O)(=O)N(CC(=O)NC(C)(C)C)Cc2ccccc2)cc1 408619314 HESDNGLSTOFKRS-UHFFFAOYSA-N 404.532 3.191 0 40 HGAB O=C(COC(=O)c1ccc(N2C(=O)CCC2=O)cc1)Nc1ccc(Cl)c(Cl)c1 408670048 XAJBURLFMALKPZ-UHFFFAOYSA-N 421.236 3.442 0 40 HGAB CCOc1cc(OC)c(/C=C2\NC(=S)N(CC)C2=O)cc1C(=O)c1ccccc1 409005459 DOHOPXVAYVSHRS-ATVHPVEESA-N 410.495 3.402 0 40 HGAB COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(Br)ccc2OC)C1=O 409073806 IPRCWHAARAXOPM-OTIXFSKASA-N 400.250 3.056 0 40 HGAB CCn1c(CNC(=O)c2ccccc2)nnc1SCC(=O)N[C@H]1CCCC[C@H]1C 409154758 PSZFDYAJNAQIKS-WBVHZDCISA-N 415.563 3.015 0 40 HGAB O=C(NCc1cccc(OCCN2CCOCC2)c1)N1CCCC12CCCCC2 533985944 GQABAGMNATVETN-UHFFFAOYSA-N 401.551 3.406 0 40 HGAB CC(C)c1ccc(-c2noc(CCC(=O)N3CCC[C@H](c4nc(O)n[nH]4)C3)n2)cc1 582859608 UCDLDUCZUNODBK-INIZCTEOSA-N 410.478 3.023 0 40 HGAB CCCc1nnc(NC(=O)CSc2nc(O)cc(-c3cccc(OC)c3)n2)s1 585655851 AHHZCVVAMXDXII-UHFFFAOYSA-N 417.516 3.393 0 40 HGAB CN(C)c1cccc(C(=O)N2C[C@@H]3CN(c4ccc(C(F)(F)F)cn4)C[C@H]3C2)c1 1888866320 ZDEIGADUCXFLTF-HOTGVXAUSA-N 404.436 3.375 0 40 HGAB COc1ccc(C(=O)NC(=S)Nc2ccc(N3CCOCC3)cc2)cc1Cl 881929 UXJGHPCNZPWWCN-UHFFFAOYSA-N 405.907 3.312 0 40 HGAB COC(=O)COc1ccc2c(-c3cc4cccc(OC)c4oc3=O)cc(=O)oc2c1C 2123520 GOGOUDOATNLMJZ-UHFFFAOYSA-N 422.389 3.435 0 40 HGAB biogenic Nc1c(C(=O)NCc2cccs2)c2nc3ccccc3nc2n1C[C@@H]1CCCO1 2245252 JMJFIILCJHRFRR-ZDUSSCGKSA-N 407.499 3.337 0 40 HGAB CCS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1ccc(OC(F)F)cc1 2652047 ACTAEOPGKKNVBZ-QGZVFWFLSA-N 410.442 3.003 0 40 HGAB COC(=O)C1=C(C)Nc2[nH]c(=S)[nH]c(=O)c2[C@H]1c1ccc(Br)cc1 3164802 VJJMZOPDBUYEDV-NSHDSACASA-N 408.277 3.199 0 40 HGAB O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)OCc1ccc(Cl)cc1 3228488 HXYQSZBKCAUFLX-UHFFFAOYSA-N 423.918 3.037 0 40 HGAB COc1ccc(CNC(=O)COC(=O)/C=C/c2cccc(Br)c2)cc1 3295897 AUTKVOHYUYPHCA-JXMROGBWSA-N 404.260 3.331 0 40 HGAB CN(C)CCSc1nnc(-c2nn(Cc3ccccc3)c(=O)c3ccccc23)o1 3437078 YAINPCASDOFTJC-UHFFFAOYSA-N 407.499 3.149 0 40 HGAB COCCCNC(=S)N(Cc1cc2cc(C)cc(C)c2[nH]c1=O)C[C@@H]1CCCO1 4132143 ONIOBDTXNXDINE-IBGZPJMESA-N 417.575 3.037 0 40 HGAB Cc1ccc2[nH]c(=O)c(CN(CCN(C)C)C(=S)NCCc3ccccc3)cc2c1 4133413 WELDBLQQPUAEHV-UHFFFAOYSA-N 422.598 3.317 0 40 HGAB CCOc1ccc(NC(=O)Cn2nnc(-c3ccc(OCC)c(OCC)c3)n2)cc1 4213308 CCBLLORENNMEBI-UHFFFAOYSA-N 411.462 3.175 0 40 HGAB O=C(CSc1nc(=O)n(Cc2cccnc2)c2c1CCC2)Nc1ccc(F)cc1 4330124 RMIUECBBDQMBIM-UHFFFAOYSA-N 410.474 3.045 0 40 HGAB Cn1c(SCC(=O)c2ccc3c(c2)NC(=O)CO3)nnc1-c1ccc(Cl)cc1 4330490 IPRUSFMHLXEWAT-UHFFFAOYSA-N 414.874 3.441 0 40 HGAB COc1ccc(NC(=O)COc2coc(CN3CCc4ccccc4C3)cc2=O)cc1 4583875 KSKQDCDXXGDCIT-UHFFFAOYSA-N 420.465 3.224 0 40 HGAB CCOc1ccc(NC(=O)CSC2=NS(=O)(=O)c3cc(F)ccc3N2)cc1 4853648 DZPDEMIHOGVDCH-UHFFFAOYSA-N 409.464 3.067 0 40 HGAB O=C(Cn1nnc(-c2cccc(C(F)(F)F)c2)n1)NC12CC3CC(CC(C3)C1)C2 4932754 FHNLQFSKWRIJKX-UHFFFAOYSA-N 405.424 3.444 0 40 HGAB CC(C)(C)c1nnc2sc(SCC(=O)Nc3ccccc3Cl)nn2c1=O 5143878 FHPYIPLPCDIJFR-UHFFFAOYSA-N 409.924 3.228 0 40 HGAB O=C(CCN1C(=O)S/C(=C/c2ccccc2)C1=O)Nc1ccc(C(=O)O)c(O)c1 5346342 GRGMRBLLHXVSTM-MHWRWJLKSA-N 412.423 3.156 0 40 HGAB C[C@H](Oc1ccccc1Cl)C(=O)N(Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 5576766 KMTCAMHOWJJPFH-RDJZCZTQSA-N 407.919 3.323 0 40 HGAB CCOc1ccc(NC(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)cc1OCC 6006160 VSTAIUMBARJGTD-UHFFFAOYSA-N 403.479 3.019 0 40 HGAB O=C(C[C@H]1C(=O)Nc2ccccc2N1C(=O)COc1ccccc1)Nc1ccccc1 6282539 VLFAXUUIEHUCBY-NRFANRHFSA-N 415.449 3.448 0 40 HGAB CCOc1ccc([C@H]2NC(=S)NC(C)=C2C(=O)NCc2ccccc2)cc1OC 6554501 YRBWCDZBMIYMIG-HXUWFJFHSA-N 411.527 3.203 0 40 HGAB O=C(CN(Cc1ccco1)Cc1cccs1)NCC(=O)Nc1ccc(F)cc1 7580945 HNDACESUZMRSDS-UHFFFAOYSA-N 401.463 3.237 0 40 HGAB CCOc1cc(/C=C/C(=O)N2CCN(C(C)=O)CC2)ccc1OCc1ccccc1 8071209 SAAHIZRMMZIMAX-ZRDIBKRKSA-N 408.498 3.368 0 40 HGAB COC[C@@H](O)CNC(=O)Cc1c(C)c2cc3c(-c4ccccc4)coc3cc2oc1=O 8764582 KAQFZYSBTPDCAT-INIZCTEOSA-N 421.449 3.181 0 40 HGAB biogenic CCc1ccccc1NC(=O)[C@@H]1CCC(=O)N1[C@@H]1OC(=O)c2c1ccc(OC)c2OC 9034068 VGHLOPVTFSOVQA-KSFYIVLOSA-N 424.453 3.065 0 40 HGAB biogenic COc1ccc(N2C[C@H](c3nc(-c4ccc(N(C)C)cc4)no3)CC2=O)cc1OC 9320892 GTZTVJUEPJUUEB-OAHLLOKOSA-N 408.458 3.340 0 40 HGAB COC(=O)c1cc(CNC(=O)N(C)Cc2cnn(-c3ccccc3)c2)ccc1OC 9513176 ASQLGKNULVRLGA-UHFFFAOYSA-N 408.458 3.009 0 40 HGAB COc1ccccc1-n1ccnc(SCC(=O)NCc2ccccc2Cl)c1=O 9761462 FMRRUDNJNLXZDF-UHFFFAOYSA-N 415.902 3.303 0 40 HGAB COC(=O)c1cc(CNC(=O)[C@@H](C)Oc2ccc(Br)cc2)ccc1OC 9960623 ZHMQCMFIMDFUOK-GFCCVEGCSA-N 422.275 3.328 0 40 HGAB CCc1ccc(NC(=O)Cn2cc(OC)c(=O)cc2CSc2ncccn2)cc1 10254903 QRUQBDJOBGDGGJ-UHFFFAOYSA-N 410.499 3.140 0 40 HGAB CCOC(=O)[C@H]1[C@H](c2cccc(Oc3ccccc3)c2)NC(=O)N[C@@]1(O)C(F)(F)F 11859187 CCXMQQIZYMCWSJ-GJYPPUQNSA-N 424.375 3.263 0 40 HGAB CC1CCN(c2nc3c(c(=O)[nH]2)CN(Cc2c[nH]nc2-c2cccs2)CC3)CC1 12116270 CKMAIQFKHRKZHD-UHFFFAOYSA-N 410.547 3.016 0 40 HGAB Cc1ccc(-n2ncc3c2CCC[C@H]3NC(=O)C[C@H]2SC(=O)N(C)C2=O)cc1C 12145620 CCKZIBGNZNJZQZ-SJLPKXTDSA-N 412.515 3.067 0 40 HGAB Cc1cc2nc([C@H]3CCCN3C(=O)Cc3ccc(-n4cnnn4)cc3)[nH]c2cc1C 12157519 SIFIBJXPZIXZPI-HXUWFJFHSA-N 401.474 3.062 0 40 HGAB CC[C@@H](Cn1nnc2ccccc2c1=O)NC(=O)C1(c2ccc(Cl)cc2)CCC1 12185306 PXZDPIRQQQGJMQ-KRWDZBQOSA-N 410.905 3.462 0 40 HGAB CC(C)c1ccc(S(=O)(=O)N2CCC(O)(Cn3ccc4ccncc43)CC2)cc1 12220486 HTMSJMBYHBOORE-UHFFFAOYSA-N 413.543 3.376 0 40 HGAB CC1(C)Cc2nc(-c3ccncc3)ncc2[C@@H](NC(=O)C[C@@H]2CC(C)(C)OC2=O)C1 12221160 ZPHJXZPTTLSIJH-WBVHZDCISA-N 408.502 3.400 0 40 HGAB COc1ccc(CC(=O)N2CCC(c3noc(-c4ccccn4)n3)CC2)cc1OC 12329125 ULNXHQVIHQLJSK-UHFFFAOYSA-N 408.458 3.098 0 40 HGAB COc1ccc([C@@H]2CN(C(=O)c3ccccn3)C[C@H]2c2ccnc(C)n2)cc1OC 12407366 RWVMVQBPZXDQFF-ZWKOTPCHSA-N 404.470 3.221 0 40 HGAB COc1ccc2[nH]c3nc(SCC(=O)Nc4cccc(NC(C)=O)c4)nnc3c2c1 12478380 ADMFVKQUGUAIHN-UHFFFAOYSA-N 422.470 3.204 0 40 HGAB O=C(Cc1c[nH]c2ccccc12)NN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O 12584712 MEVRBEBRADWGTE-UHFFFAOYSA-N 424.460 3.237 0 40 HGAB COc1ccc(NS(=O)(=O)c2ccc(C(=O)N[C@@H](C)c3ccccn3)cc2)cc1 12605113 ZDBLHTYPPZFBCD-HNNXBMFYSA-N 411.483 3.382 0 40 HGAB O=C(CNC(=O)c1ccc(Cl)cc1Cl)NCc1cnn(-c2ccccc2)c1 12790699 DBYYNPORCGDVCD-UHFFFAOYSA-N 403.269 3.225 0 40 HGAB C[C@H](NC(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1)c1ccc(F)c(F)c1 12852539 PDPSARPOMQUBDM-AWEZNQCLSA-N 420.435 3.131 0 40 HGAB COc1cccc(-c2noc(Cn3cnc4ccc(Br)cc4c3=O)n2)c1 12871252 MVFKKBMQDNLFGN-UHFFFAOYSA-N 413.231 3.266 0 40 HGAB Cc1nc(C)c2c(C)c(C(=O)NC[C@H](c3ccc(C)o3)N3CCOCC3)sc2n1 12929935 DRLBQPZOEUZTTF-MRXNPFEDSA-N 414.531 3.321 0 40 HGAB COc1cc(/C=C/C(=O)NC[C@H](c2ccc(F)cc2)N2CCOCC2)cc(OC)c1 12931647 JKMDHSMSFQPEHU-MULIUROHSA-N 414.477 3.046 0 40 HGAB Cc1ccc(N2C(=O)N(C[C@@H](O)COCc3ccccc3Cl)C(=O)[C@H]2C)cc1 12984392 LHBQMCWDJIOOPB-CRAIPNDOSA-N 402.878 3.383 0 40 HGAB COC(=O)c1cc(NC(=O)[C@H]2CC(=O)N(c3cccc(OC)c3)C2)ccc1Cl 13022421 QHQHYMMPTVENQW-LBPRGKRZSA-N 402.834 3.127 0 40 HGAB CCn1cc(C(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C)C3)c(=O)c2ccc(C)nc21 13145696 HNWNZXMCMVLNCI-NSHDSACASA-N 424.526 3.262 0 40 HGAB CC(C)Oc1ccc(Cc2c(O)nc(NCCCN3CCCCC3)[nH]c2=O)cc1 13765184 WOHPVJNFGBRUTD-UHFFFAOYSA-N 400.523 3.141 0 40 HGAB CCOc1cc(/C=C2\C(=O)Nc3ccccc32)c(Br)cc1OCC(N)=O 13915521 BGZVZAGHLVMBMD-QPEQYQDCSA-N 417.259 3.205 0 40 HGAB CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)CC(=O)N2)c1ccc2c(c1)OCCCO2 14229791 PDQSKSBNWUQLKH-NRFANRHFSA-N 416.499 3.018 0 40 HGAB COc1ccc2oc(C(=O)Nc3nc4ccc(S(N)(=O)=O)cc4s3)c(C)c2c1 14237541 FHLDUIJXTYXALH-UHFFFAOYSA-N 417.468 3.259 0 40 HGAB CCOc1ccc(NC(=O)c2ccc(N3C(=O)C(C)(C)CS3(=O)=O)cc2)cc1 15843232 RRQCUCPQICNETF-UHFFFAOYSA-N 402.472 3.040 0 40 HGAB C[C@H]1C(=O)N(CN2CCN(c3ccc(F)cc3)CC2)C(=O)N1c1ccc(Cl)cc1 16695005 UGDIWINAZOTZCK-HNNXBMFYSA-N 416.884 3.416 0 40 HGAB CC(=O)Oc1cccc(/C=c2\sc3nc(/C=C/c4ccc(Cl)cc4)nn3c2=O)c1 16735173 ZBYDTZIYPSSHQJ-PHDJUTGNSA-N 423.881 3.448 0 40 HGAB CSc1ncc(CN2CCC[C@H](c3ncc(Cl)cc3S(C)(=O)=O)C2)cn1 19574115 SCAKIWRBCBRXMD-ZDUSSCGKSA-N 412.968 3.030 0 40 HGAB COc1ccc([C@@H]2c3nc[nH]c3CCN2C(=O)c2c(C)nc3c(C)cccn23)cc1 19660901 OJISQMSTWYDFLJ-OAQYLSRUSA-N 401.470 3.471 0 40 HGAB Cc1cnc(C(=O)N2CCC[C@H](c3nc(N(C)C)ncc3-c3ccccc3)C2)cn1 19694028 HFMUYHNPVCSGNL-SFHVURJKSA-N 402.502 3.328 0 40 HGAB COc1cccc(OC)c1-c1cnc(N(C)C)nc1C1CCN(Cc2ncc[nH]2)CC1 19695246 BPKUFAWEGYFXGW-UHFFFAOYSA-N 422.533 3.330 0 40 HGAB COc1ccc(S(=O)(=O)NCCc2csc(-c3cccnc3)n2)cc1Cl 19942458 NGRUQQVXWAFPHQ-UHFFFAOYSA-N 409.920 3.388 0 40 HGAB COc1ccc(C(=O)Nc2ccc(F)c(F)c2)cc1S(=O)(=O)N1CCCCC1 20024985 UVYZXQJQBHYBPV-UHFFFAOYSA-N 410.442 3.400 0 40 HGAB COc1ccc([C@@H](c2nnnn2C(C)(C)C)N2CCN(c3ccccc3F)CC2)cc1 20139478 HOTWFIDPHYKLMM-NRFANRHFSA-N 424.524 3.487 0 40 HGAB O=C1C[C@@H](C(=O)Nc2cccc(C(=O)O)c2)n2ncc(-c3ccc(Cl)cc3)c2N1 20726292 WIJQYQYZJSVLHY-INIZCTEOSA-N 410.817 3.424 0 40 HGAB CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NCCC(C)C)cc1 22271717 ZLFKFVJPSGNUEA-OAQYLSRUSA-N 418.559 3.137 0 40 HGAB O=C(CN1CCN(Cc2ccsc2)CC1)N1CCS[C@@H]1c1ccccc1F 22799334 CATNIJRTTJJNDF-HXUWFJFHSA-N 405.564 3.279 0 40 HGAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCCCN(C)C)ccc2Cl)c1 22913648 BBITWAFKRVONOP-UHFFFAOYSA-N 409.939 3.131 0 40 HGAB Cc1cccc(C)c1NC(=O)CN1CCN([C@@H](C)C(=O)N[C@H](C)c2ccccc2)CC1 22928904 PANHQWMOSYVCBO-RTWAWAEBSA-N 422.573 3.125 0 40 HGAB CC(=O)N1CCN(C(=O)[C@](C)(Cc2nc3ccccc3s2)c2ccccc2)CC1 30822246 YUWVCHFFCJNLTM-HSZRJFAPSA-N 407.539 3.487 0 40 HGAB Cc1c2c(=O)n(-c3nc4ccccc4s3)[nH]c2cc(=O)n1CCc1ccc(O)cc1 30822913 SBOIRJVELJQAJA-UHFFFAOYSA-N 418.478 3.347 0 40 HGAB CCC(CC)CN(CC(=O)OC)CN1C(=O)N[C@@]2(CCCCc3ccccc32)C1=O 32916186 GTLBCZRNKQOBKE-HSZRJFAPSA-N 415.534 3.029 0 40 HGAB C[C@@H]1CCCN(c2nn(CC(=O)Nc3ccc4c(c3)OCO4)c(=O)c3ccccc23)C1 33175082 JWMDITNIVHLCRH-OAHLLOKOSA-N 420.469 3.000 0 40 HGAB O=C(NCc1ccc(F)cc1)Nc1snnc1C(=O)NCc1ccc(F)cc1 33436169 WWXTTYWMJSIEMZ-UHFFFAOYSA-N 403.414 3.068 0 40 HGAB COc1ccc([C@@H]2[C@H](C(=O)Nc3nnc(C)s3)c3ccccc3C(=O)N2C)cc1 36352605 OLNYFBWQNDSHJB-QZTJIDSGSA-N 408.483 3.404 0 40 HGAB Cc1cc(C(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)c(C)n1-c1nccs1 36390504 DCIFMIFAKHUOAQ-QFIPXVFZSA-N 420.494 3.127 0 40 HGAB Cn1ncc(C(=O)O)c1C(=O)Nc1nc(-c2cccc(Br)c2)cs1 36615494 UDUHRJRRNJGKGP-UHFFFAOYSA-N 407.249 3.257 0 40 HGAB CN(Cc1ccccc1)C(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(C(C)(C)C)ccc2O1 38832926 AYNRAONGYRTTML-FQEVSTJZSA-N 416.543 3.170 0 40 HGAB CN(C(=O)CN1C(=O)N[C@@](C)(c2cccc(C(F)(F)F)c2)C1=O)c1ccccc1 40116890 KPGHOUBMRLQPMS-IBGZPJMESA-N 405.376 3.135 0 40 HGAB Cc1ccc([C@@H](C)NC(=O)[C@H]2CCN(S(C)(=O)=O)c3ccccc3O2)c(C)c1 44935105 AZACBHAGSHCEPH-OXQOHEQNSA-N 402.516 3.098 0 40 HGAB CCNC(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@H](O)[C@@H]1/C=C/[C@@H](O)CCc1ccccc1 52509427 AQOKCDNYWBIDND-AWSQDYKHSA-N 415.574 3.147 0 40 HGAB O[C@H](CN1CCN(CCc2ccccn2)CC1)Cn1c2ccccc2c2ccccc21 61721386 GJICURDTOJFTCU-JOCHJYFZSA-N 414.553 3.411 0 40 HGAB COc1ccc(CNC(=O)c2nc(-c3nc(-c4cccnc4)no3)cs2)cc1OC 65230606 YVEUMRRHVQQIPL-UHFFFAOYSA-N 423.454 3.202 0 40 HGAB CC(=O)Nc1cccc([C@@H](C)OC(=O)c2ccc(CN3CCN(C(C)=O)CC3)cc2)c1 65563952 ABHSYJXXLBSRNG-QGZVFWFLSA-N 423.513 3.227 0 40 HGAB CSc1ccccc1NC(=O)C(=O)NCCN1CCC(c2cccs2)CC1 77104293 NCWHUWNLYVBXRI-UHFFFAOYSA-N 403.573 3.404 0 40 HGAB Cc1cc(Cl)ccc1S(=O)(=O)N[C@@H]1CCS(=O)(=O)c2ccc(Cl)cc21 79108203 GKZWKGOIFOAFTJ-CQSZACIVSA-N 420.339 3.499 0 40 HGAB O=C(NCc1ccccc1)NC1(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CCCC1 84539219 PKYKLNWTWLLCQH-JOCHJYFZSA-N 420.557 3.189 0 40 HGAB CCN(C(=O)c1cccc(OCC(F)(F)F)n1)C1CN(C(=O)OC(C)(C)C)C1 84761228 HNOUESLGBNHIJK-UHFFFAOYSA-N 403.401 3.104 0 40 HGAB COc1cc(NC(=O)N[C@H](c2c(C)nn(C)c2C)C(F)(F)F)cc(OC)c1OC 95446439 VTEXBEBKVAAERX-MRXNPFEDSA-N 416.400 3.488 0 40 HGAB CN(C(=O)c1ccc(C(F)(F)F)nc1)[C@@H](C(N)=O)c1cccc(Br)c1 95462399 WDEVXKMTCOWWNJ-CYBMUJFWSA-N 416.197 3.162 0 40 HGAB O=C(C[C@@H]1NC(=O)c2ccccc2N=C1O)NCCc1nc(-c2ccccc2)cs1 95480241 WJPZXKWWYUCCSP-KRWDZBQOSA-N 420.494 3.259 0 40 HGAB Cc1ccc(C)c(-n2nnnc2SCC(=O)/N=c2/sc3ccccc3n2C)c1 104991521 OWFPKCWYPIXIAT-CZIZESTLSA-N 410.528 3.052 0 40 HGAB CCOc1ccccc1N(CC(=O)NC1CC1)S(=O)(=O)c1ccc(SC)cc1 113937213 KHPWTIGRVSQWLQ-UHFFFAOYSA-N 420.556 3.281 0 40 HGAB COC(=O)[C@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)c1nc2ccccc2s1 206796031 DBWMUPCLPANOOU-IUODEOHRSA-N 400.431 3.271 0 40 HGAB O=C(O)C[C@@]12C[C@@H]3C[C@@H](C[C@@](n4ncc(NC[C@H]5CCCO5)c(Cl)c4=O)(C3)C1)C2 217546599 DVBMTEUIDSJCBO-JQGYYDNOSA-N 421.925 3.258 0 40 HGAB CC[C@@H](NC(=O)[C@@H](C)N(c1cccc(OC)c1)S(C)(=O)=O)c1ccc(C)cc1 220182854 RCKXJKAVVPXFJX-OXQOHEQNSA-N 404.532 3.426 0 40 HGAB CC[C@@H](C(=O)N(C)Cc1ccc(OC)cc1)N(c1ccccc1F)S(C)(=O)=O 220584807 CTFGQGAELNHAHL-SFHVURJKSA-N 408.495 3.038 0 40 HGAB C[C@@H](NC(=O)CN(Cc1ccccc1F)S(C)(=O)=O)c1ccc2c(c1)CCCC2 223003599 IOYGUBANZYKTOR-MRXNPFEDSA-N 418.534 3.344 0 40 HGAB Cc1cc2[nH]c(=O)oc2cc1S(=O)(=O)Nc1ccc(Br)cc1F 223317878 UATPKCDHQKUAMD-UHFFFAOYSA-N 401.213 3.132 0 40 HGAB COc1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)c1 223627020 JTRJRHKQMLULCB-LEWJYISDSA-N 408.527 3.236 0 40 HGAB COc1ccc(CC(=O)N(Cc2cccc(OC)c2)[C@H](C)C(=O)NCC(C)C)cc1 224446833 RMAIFEXYAJIYIN-GOSISDBHSA-N 412.530 3.436 0 40 HGAB COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(C)[nH]2)cc1 225229865 SPMXGTJOQMPLMM-NHCUHLMSSA-N 421.526 3.480 0 40 HGAB COc1cccc(-c2noc(CCC(=O)N3CCN(Cc4ccccc4)CC3)n2)c1 225824615 FFVHZEUTSSIUHW-UHFFFAOYSA-N 406.486 3.022 0 40 HGAB CO[C@H]1CN(CC(=O)Nc2ncc(Cc3ccc(F)cc3)s2)CC[C@@]12CCCO2 257229935 GABWMHINMSGXNI-RXVVDRJESA-N 419.522 3.081 0 40 HGAB NC(=O)c1ccc(-c2cccc([C@@H]3CN(C(=O)CCc4ccccc4)CCO3)n2)cc1 257323366 WJWIENQKIMXRTP-QHCPKHFHSA-N 415.493 3.380 0 40 HGAB Cc1nc([C@H]2CCN(C(=O)CC(C)C)C2)nc2c1CC(=O)N2CCc1ccc(F)cc1 257323393 WJYSPPSPVYAUAD-SFHVURJKSA-N 424.520 3.418 0 40 HGAB CCOc1ccc(N([C@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)S(C)(=O)=O)cc1 260408818 MWPYMHDSKBLMLY-HUUCEWRRSA-N 408.495 3.256 0 40 HGAB S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2Cc2ccccn2)N1C[C@H]1CCCO1 260924291 TZVCMGFBVUSUPN-STZQEDGTSA-N 419.554 3.478 0 40 HGAB O=C(Nc1cccc(F)c1)c1nnc2n1C[C@@H]1CN(Cc3cccc(F)c3)C[C@H]1C2 306141263 VQFYQXBJXIYXFF-CVEARBPZSA-N 409.440 3.113 0 40 HGAB Cc1cccc(C(=O)N[C@H]2C(=O)N/[N+](=C\c3ccc(F)cc3)[C@@H]2c2ccccc2)c1 409056443 GOKDFCIEXDHKQE-KSYIGNPDSA-O 402.449 3.150 0 40 HGAB CCCN(CCC)C(=O)CN1C(=O)S/C(=C\c2ccc(O)c(OCC)c2)C1=O 409208233 BDCDQLYSXUXMRT-ATVHPVEESA-N 406.504 3.476 0 40 HGAB CCn1c(COc2ccc(C)cc2OC)nnc1SCC(=O)Nc1nccs1 409342327 BOEHWSDZCMGUFN-UHFFFAOYSA-N 419.532 3.381 0 40 HGAB CN1C(=O)c2cccc3c(S(=O)(=O)NC[C@@H]4[C@@H]5Cc6ccccc6[C@@H]45)ccc1c23 513119981 HGPKXWLZNZUHID-WAOWUJCRSA-N 404.491 3.294 0 40 HGAB Cc1nc2c(cc1C(=O)N[C@@H]1CC3(CCN(C)CC3)Oc3ccccc31)c(C)nn2C 520495104 VHUUPAMELOXJMM-HXUWFJFHSA-N 419.529 3.303 0 40 HGAB O=C(Nc1ccc(C(=O)N2CCC[C@H]2c2ccccc2)cc1)c1ccc2nnnn2c1 532066972 USYQYDKEGFTMNW-FQEVSTJZSA-N 412.453 3.354 0 40 HGAB CC(C)c1ccc2ncnc(N3CCN(CCNC(=O)c4ccccc4F)CC3)c2c1 1185332031 UFCDKMYKSLNRRP-UHFFFAOYSA-N 421.520 3.444 0 40 HGAB CCOC(=O)c1cc(COC)cc(NC(=O)N[C@H](c2ccccc2)c2nc[nH]n2)c1 1562853352 NOIZDNOWXKMECO-GOSISDBHSA-N 409.446 3.039 0 40 HGAB Cc1nccc(C(=O)N2CCC[C@@H]3[C@H]2CCCCc2ccccc2OCC(=O)N3C)n1 1848357451 SKWHPYQPMFUPHU-NHCUHLMSSA-N 422.529 3.022 0 40 HGAB CCOC(=O)c1[nH]c(Cc2[nH]c(C)c(C)c2C(=O)OCC)c(C(=O)OCC)c1C 1665119 RHPXTDYRQAZNKP-UHFFFAOYSA-N 404.463 3.389 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2cncc(Br)c2)cc1 2660840 RGRHINXTZJLYOI-UHFFFAOYSA-N 412.309 3.127 0 40 HGAB COc1cc(OC)cc(C(=O)OCc2nc3sc4c(c3c(=O)[nH]2)CC[C@H](C)C4)c1 3271297 OCFLPVNOAOBEHY-NSHDSACASA-N 414.483 3.484 0 40 HGAB CCCn1c(=O)c2ccccc2n2c(SCC(=O)Nc3ccc(OC)cc3)nnc12 3375702 KEOQYTXLZFQLMU-UHFFFAOYSA-N 423.498 3.194 0 40 HGAB CCCCn1c(=O)[nH]c(=O)c2cc(C(=O)c3cc(Cl)cc(Cl)c3O)cnc21 3381548 MVCBJDBSKALRKC-UHFFFAOYSA-N 408.241 3.128 0 40 HGAB O=C1CN(C(=O)COC(=O)c2cc(Br)ccc2Cl)c2ccccc2N1 3530024 UCHSGHKAOBVMJB-UHFFFAOYSA-N 423.650 3.245 0 40 HGAB COc1cc(CCC(=O)Nc2ccc(N3CCOCC3)cc2)cc(OC)c1OC 3533994 GOZGUOVLTVMGIW-UHFFFAOYSA-N 400.475 3.120 0 40 HGAB O=C(Nc1ccccc1)Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(C(=O)c2ccco2)C1 4258962 FLTFCGSSCFESSJ-JKSUJKDBSA-N 418.453 3.345 0 40 HGAB biogenic,in-vitro C[C@@H](NC(=O)C(=O)NC[C@@H](c1ccco1)N1CCc2ccccc21)c1ccccc1 4305389 ZCNNGPTVQXQDSA-UTKZUKDTSA-N 403.482 3.377 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1OC 4315015 WDOWNOPUWDSCLK-UHFFFAOYSA-N 401.488 3.148 0 40 HGAB Cc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)CCC3=O)cc2)cc1Cl 4351950 NYHFTZYPHBSXJL-UHFFFAOYSA-N 400.818 3.097 0 40 HGAB Cc1ccc(NC(=O)C[S@@](=O)CC(=O)N[C@@H](C)CCc2ccco2)cc1Cl 4355070 MIKYFTKIPFTRAX-PGGUUEOZSA-N 410.923 3.066 0 40 HGAB aggregator CCOc1ccc(C(=O)Nc2ccc3c(c2)N(S(C)(=O)=O)CCC3)cc1OCC 5136746 QFJGKRYTNLBZEU-UHFFFAOYSA-N 418.515 3.449 0 40 HGAB COc1cc([C@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3ON2c2ccccc2)ccc1O 6576892 RSIDXQXEVZMSGK-FSSWDIPSSA-N 416.433 3.452 0 40 HGAB Cc1c(CC(=O)N2CCC(C(=O)O)CC2)c(=O)oc2cc3c(cc12)CCC(C)(C)O3 6623971 SLRWNWSAYOIDAI-UHFFFAOYSA-N 413.470 3.071 0 40 HGAB biogenic Cc1cccc(-n2c(SCC(=O)N(C)CC(=O)NC3CC3)nc3ccccc32)c1 6929484 XSSNLTIHZDTEDV-UHFFFAOYSA-N 408.527 3.163 0 40 HGAB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Cl)c1OCC(N)=O 6959339 JRHBEWKMJNZXLG-OVCLIPMQSA-N 413.861 3.457 0 40 HGAB COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)Cn1ccccc1=O)CC2 7735242 TVDZSINLLINSBR-JOCHJYFZSA-N 410.495 3.101 0 40 HGAB COc1cccc(N2C[C@H](C(=O)Nc3cc(OC)c(Cl)cc3OC)CC2=O)c1 8247825 QWWDGRJUFNJJED-GFCCVEGCSA-N 404.850 3.357 0 40 HGAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CSc1nc2ncc(Cl)cc2[nH]1 8425035 RLACYWGOYXPPDE-SNVBAGLBSA-N 401.879 3.467 0 40 HGAB Cc1ccc(Cn2c(=O)c3c(nc4n3CCCN4c3ccc(C)cc3)n(C)c2=O)cc1 8656860 LBQCBWCMPLOOGW-UHFFFAOYSA-N 415.497 3.104 0 40 HGAB O=C(c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCCO2)c1)N1CCc2ccccc21 8755149 AEBNYKBTJXHMQD-MRXNPFEDSA-N 420.918 3.000 0 40 HGAB CCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3CC)c(C)c1 8962384 VUSKVPOJSAUCEI-UHFFFAOYSA-N 415.515 3.443 0 40 HGAB CCOc1ccc([C@H]2Nn3c(C)nnc3S[C@@H]2C(=O)NCc2ccc(C)cc2)cc1 9239023 NXTSSVMHONUHAN-UXHICEINSA-N 423.542 3.369 0 40 HGAB COc1ccc(Cn2c(=O)c3ncccc3n(Cc3ccc(Cl)cc3)c2=O)cc1 9660623 COOWFPBTONSNMF-UHFFFAOYSA-N 407.857 3.317 0 40 HGAB NC(=O)c1oc2ccccc2c1NC(=O)CCCS(=O)(=O)c1ccc(Cl)cc1 10219097 ZJZVASIPPRFJFK-UHFFFAOYSA-N 420.874 3.378 0 40 HGAB CCc1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC(=O)NCCCOC(C)C 11119677 SIPYHMOWPNALRA-UHFFFAOYSA-N 416.543 3.356 0 40 HGAB COc1ccc(-c2cc3nc([C@@H](C)NC(=O)[C@@H]4CCC[C@@H](OC)C4)nn3cn2)cc1 12085082 DAPRARFVTOPTAE-QGPMSJSTSA-N 409.490 3.182 0 40 HGAB C[C@@H](OC(=O)[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1)C(=O)NC1CCCCC1 12092655 WAQUQUJLNLPKCS-GDBMZVCRSA-N 406.910 3.069 0 40 HGAB COc1cccc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3)C2=O)c1OC(C)C 12401630 QHXPPXYBTNUVDQ-SFQUDFHCSA-N 409.442 3.014 0 40 HGAB O=C(Cc1csc(NC(=O)c2ccc(=O)[nH]c2)n1)Nc1ccc(F)c(Cl)c1 12440054 OIXYNBZDPYTYQF-UHFFFAOYSA-N 406.826 3.057 0 40 HGAB COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2cnn(-c3ccccc3)c2C)c1C 12587848 MBXGCAYQFZBKEQ-HNNXBMFYSA-N 409.442 3.340 0 40 HGAB CNS(=O)(=O)c1cc(C(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)cc(C)c1C 12611922 KSQINMONGHEBKA-SFHVURJKSA-N 412.515 3.065 0 40 HGAB Cc1nc(SCC(=O)N2CCC(c3nc4ccccc4cc3C(N)=O)CC2)oc1C 12749183 INFRWUWEQURTHU-UHFFFAOYSA-N 424.526 3.437 0 40 HGAB COc1cc(CCC(=O)N2CCc3nc4sc(C)cc4c(=O)n3CC2)ccc1C 13227184 NJTOETUHEJOFPT-UHFFFAOYSA-N 411.527 3.101 0 40 HGAB CCNC(=O)CCCc1nc(-c2cc(Br)c(OC)c(OCC)c2)no1 13494729 XIGCUWYQHDRGIL-UHFFFAOYSA-N 412.284 3.365 0 40 HGAB O=S(=O)(c1ccc(-c2nnc(S)n2Cc2ccccc2)cc1)N1CCCCC1 13534638 GZTBABZBQMRHIS-UHFFFAOYSA-N 414.556 3.457 0 40 HGAB CC(C)[C@H](C(=O)NCCc1c[nH]c2ccc(Cl)cc12)n1nnc2ccccc2c1=O 13625196 WTLUJQNBHGNOBT-HXUWFJFHSA-N 423.904 3.482 0 40 HGAB COc1cc(C[C@H]2CC(CNCCc3cccs3)=NO2)c(OC)c2c1OCO2 15085837 OSCOFMREDIAOKV-HNNXBMFYSA-N 404.488 3.014 0 40 HGAB COC(=O)C[C@H](NC(=O)C[C@H](NC(C)=O)c1ccc(Cl)cc1)c1ccccc1 16139496 ZFFAAMIAKSJHPY-OALUTQOASA-N 402.878 3.328 0 40 HGAB O=C1[C@H]2ON(c3ccccc3)[C@H](c3ccc(O)cc3)[C@H]2C(=O)N1Cc1ccccc1 18210824 POBYBTAFLPYBDN-VSKRKVRLSA-N 400.434 3.439 0 40 HGAB O=c1ccc2cc(S(=O)(=O)N3CCC[C@@H](COc4ccc(F)cc4)C3)ccc2o1 19335857 ZJAHRVIKIGELKP-OAHLLOKOSA-N 417.458 3.412 0 40 HGAB CC[C@@H](C)C(=O)N1CC[C@H](c2nc(O)c3c(n2)CN(Cc2ccc(OC)cc2)CC3)C1 19499772 YHSFSNKPAFHTEL-AEFFLSMTSA-N 424.545 3.111 0 40 HGAB CCN1CCN(CC2=CCCOC2)C[C@H](Cc2ccc(-c3ccncc3)cc2)C1=O 19527441 ABEDEFHDBNTABR-DEOSSOPVSA-N 405.542 3.418 0 40 HGAB O=C(c1cnn2c(-c3ccccc3)ccnc12)N1CCCN(Cc2ccccn2)CC1 19717284 FHTHDXOUBMFHAN-UHFFFAOYSA-N 412.497 3.139 0 40 HGAB CCOc1cc(CN2CCN(C(=O)c3c(OC)cccc3OC)CC2)ccc1OC 19889361 UNYLLIXAEDHKGE-UHFFFAOYSA-N 414.502 3.069 0 40 HGAB CS(=O)(=O)N(CC(=O)Nc1ccc(F)c(C(F)(F)F)c1)Cc1ccc(F)cc1 20015393 XTXMCLVVKPBSKQ-UHFFFAOYSA-N 422.375 3.384 0 40 HGAB COCCN1CNC2=N[C@@H](c3ccc(Cl)cc3F)n3c(nc4ccccc43)N2C1 20715140 XXQONOYOMLLMOO-GOSISDBHSA-N 414.872 3.018 0 40 HGAB Cc1ccc(C)c(S(=O)(=O)N(CC(=O)NCc2ccco2)Cc2ccccc2)c1 21031705 ZCTQIYFOCZDRCJ-UHFFFAOYSA-N 412.511 3.404 0 40 HGAB Cc1nc(C)c(CCC(=O)N[C@@H](CC(=O)OC(C)C)c2ccccc2Cl)c(=O)[nH]1 22311660 LIBNEFZBSOVSHB-SFHVURJKSA-N 419.909 3.172 0 40 HGAB Cc1ccc(OC[C@@H](C)NC(=O)CN(c2c(C)cc(C)cc2C)S(C)(=O)=O)cc1 22425825 GYUOWOKOKBRJST-LJQANCHMSA-N 418.559 3.270 0 40 HGAB CCCn1c(=O)n(CCC(=O)NC[C@@H](c2cccc(F)c2)N(C)C)c2ccccc21 22682473 BPABRIDBGZIOKM-NRFANRHFSA-N 412.509 3.161 0 40 HGAB Cn1nc(-c2ccc(Cl)cc2)cc1NC(=O)CN1CCN(Cc2ccccc2)CC1 22917811 VTAZFGQJZYZFFK-UHFFFAOYSA-N 423.948 3.497 0 40 HGAB COc1ccc([C@H](CNC(=O)CCc2c[nH]c3ccccc23)N2CCOCC2)cc1 23846257 MNWNWRSAUYMIKV-QHCPKHFHSA-N 407.514 3.299 0 40 HGAB CC(=O)c1ccccc1NC(=O)[C@H](C)OC(=O)c1ccc(OCC(F)(F)F)nc1 24118498 JLJUSMWSNPSRPK-LBPRGKRZSA-N 410.348 3.409 0 40 HGAB CCc1cc2c(=O)n(NC(=O)COc3ccc(Oc4ccccn4)cc3)cnc2s1 29069464 FKWSNEMUGZQEME-UHFFFAOYSA-N 422.466 3.357 0 40 HGAB NC(=O)c1c(NC(=O)Cn2c(C(F)(F)F)nc3ccccc32)sc2c1CCC2 31817976 CCDYVSDRHCBREJ-UHFFFAOYSA-N 408.405 3.343 0 40 HGAB Cn1cc(C(=O)NCCNC(=O)c2cccc(Br)c2)c2ccccc21 32096897 OPJDPVWLSVLXHR-UHFFFAOYSA-N 400.276 3.101 0 40 HGAB O=S1(=O)CC[C@H](N(Cc2cccs2)Cn2nc(C3CC3)n(C3CC3)c2=S)C1 32888208 WPVYSBGSORIMPW-HNNXBMFYSA-N 424.617 3.335 0 40 HGAB COc1ccc(CCC(=O)NC[C@@H](O)c2ccccc2OC)cc1Br 32915266 CBXVUBBTIKZPCF-MRXNPFEDSA-N 408.292 3.249 0 40 HGAB O=C(NCc1ccc(-n2ccnc2)nc1)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 33043274 OHEPBOWKONNHFF-GOSISDBHSA-N 423.904 3.089 0 40 HGAB COc1ccc2c(c1)cc(C(=O)N[C@@H](C(=O)Nc1ncc(C)s1)C(C)C)n2C 36569496 YAAJGDJVSWGISX-QGZVFWFLSA-N 400.504 3.345 0 40 HGAB CS(=O)(=O)N1CC[C@@H](C(=O)Nc2ccc(C(F)(F)F)cc2)Oc2ccccc21 38860527 CMVWRLBVDVRQMK-INIZCTEOSA-N 414.405 3.261 0 40 HGAB CCN(CC)C(=O)CN1CCN(Cc2nc3ccccc3n2Cc2ccccc2)CC1 38908454 SQEIJDIKKQLBKC-UHFFFAOYSA-N 419.573 3.071 0 40 HGAB C[C@H]1C[C@@H]1C(=O)NCCC(=O)Nc1ccc(Br)cc1Br 40090183 XFWWAWJIKDUXGE-WPRPVWTQSA-N 404.102 3.312 0 40 HGAB Cc1cnc2c(S(=O)(=O)NCCc3cc(F)cc4c3OCOC4)cccc2c1 41629934 QYSQOYWVXPMALY-UHFFFAOYSA-N 402.447 3.070 0 40 HGAB O=C(COC(=O)c1cccc(N2C(=O)CCC2=O)c1)Nc1cc(Cl)ccc1Cl 57528561 GLEOHZNDEXQQQA-UHFFFAOYSA-N 421.236 3.442 0 40 HGAB O=C(C[C@@H](CN1CCN(Cc2cccc(Cl)c2)CC1)C(=O)O)Nc1ccccc1 61720044 NGYLTAAUUAIWIG-SFHVURJKSA-N 415.921 3.187 0 40 HGAB CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NC1CCN(C(=O)NC2CCCCC2)CC1 65608889 IYKLJYHWCAMYCW-GOSISDBHSA-N 422.570 3.009 0 40 HGAB C[C@H]1CCCN(c2nc3ncn(CC(=O)Nc4ccc(Cl)cc4)c(=O)c3s2)C1 67226219 RMAOFUYMEAJCLI-LBPRGKRZSA-N 417.922 3.381 0 40 HGAB CC[C@@H](C)N1C(=O)c2ccccc2[C@H](C(=O)N2CCC(C(N)=O)CC2)C12CCCC2 71279355 LLXXEBZGIOCXHX-OXQOHEQNSA-N 411.546 3.061 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(NC(=S)Nc2ccc3c(c2)OCO3)cc1 71761507 FFQSKMYEZDXCKL-UHFFFAOYSA-N 407.517 3.255 0 40 HGAB C[C@@H]1Oc2ccccc2N(CC(=O)N(Cc2ccc(O)cc2)Cc2ccco2)C1=O 71794511 LXTBQMBEBUSHCO-INIZCTEOSA-N 406.438 3.328 0 40 HGAB COc1ccc(C2(CNC(=O)c3cn(C)c(=O)c4ccccc34)CCOCC2)cc1 72324968 CQEBAYOPTLTORU-UHFFFAOYSA-N 406.482 3.025 0 40 HGAB biogenic CC(C)C(=O)N1CCC[C@H](C(=O)N2CC[C@@H]3[C@H](CCCN3Cc3ccccc3)C2)C1 89775644 WSZFFFSGSCYSLE-XPWALMASSA-N 411.590 3.394 0 40 HGAB Cc1ccc(CNC(=O)c2nc(-c3cn(-c4nccs4)cn3)n3ccccc23)o1 96155087 QGMZNHLUSHXKCS-UHFFFAOYSA-N 404.455 3.475 0 40 HGAB Cc1c(I)cnn1CCC(=O)N[C@H](C)[C@H]1C[C@H]2CC[C@H]1C2 102629680 LDQPVAHCGFAWEQ-VZZFWQQMSA-N 401.292 3.127 0 40 HGAB COC(=O)[C@H]1C[C@H](Oc2ccccc2F)CN1C(=O)CSc1ccc(F)cc1 206796905 WAKMHLBHXNKGMU-WMLDXEAASA-N 407.438 3.278 0 40 HGAB C[C@H](C(=O)Nc1ccccc1Br)N(c1ccccc1F)S(C)(=O)=O 220296327 CXFDAVZGSDNRFK-LLVKDONJSA-N 415.284 3.381 0 40 HGAB CC[C@H](C(=O)NCCc1ccccc1)N(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 220743698 YEEZJDPCHABPHX-GOSISDBHSA-N 424.950 3.252 0 40 HGAB Cc1c(Cl)cccc1N(CCCC(=O)NCCCOC(C)C)S(C)(=O)=O 222643855 COXKGUQTQYQZLY-UHFFFAOYSA-N 404.960 3.126 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N2c3ccccc3C[C@@H]2C)c(C)c1 222816577 QNFQPMHGZVUJBP-KRWDZBQOSA-N 416.543 3.382 0 40 HGAB Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)N[C@@H](C)c3ccccc3)s2)c1 223285872 VWPRCNOXYREEHY-ZDUSSCGKSA-N 402.501 3.138 0 40 HGAB Cc1c(C(=O)NCCOc2ccc3ccccc3c2)cccc1N(C)S(C)(=O)=O 223637074 UYRXJZWUCIDPOU-UHFFFAOYSA-N 412.511 3.353 0 40 HGAB O=C(NCC1=CCCCC1)[C@@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1 223994169 AWVIVQPXFHCWAS-NRFANRHFSA-N 412.511 3.260 0 40 HGAB COc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)C(C)C)c2ccc(C)cc2)cc1 225194468 RPUNVDSTVQNFPP-KRWDZBQOSA-N 404.532 3.360 0 40 HGAB COCCN1C(=O)[C@@H]2C[C@@H](CN2Cc2cnc3ccccc3c2)Oc2ccccc21 225480791 LCMYPVAPSFCQEU-UGKGYDQZSA-N 403.482 3.250 0 40 HGAB biogenic,in-vitro Cc1cccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3cc(C)ccc3C)C2)c1 225920003 JXNBGZBYDVTROB-FQEVSTJZSA-N 400.544 3.329 0 40 HGAB CCCNC(=O)CCc1c(C)nc2cc([C@H]3CCCN3C(=O)C3CCC3)nn2c1C 257217672 DAARIGCVLMWHLZ-HXUWFJFHSA-N 411.550 3.269 0 40 HGAB CC(=O)N[C@@H](C(=O)N1CC[C@H]2O[C@H]3c4ccccc4OC(C)(C)[C@@H]3C[C@H]2C1)C(C)C 257276392 NTMNLSARQLHVRQ-ZNSCVOQBSA-N 414.546 3.313 0 40 HGAB CC(C)CNS(=O)(=O)c1ccc(OCC(=O)N[C@H](C)CCc2ccccc2)cc1 408584581 RQRKMQYFPDFVKE-GOSISDBHSA-N 418.559 3.137 0 40 HGAB COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)C(=O)Nc1cccc(Cl)c1 408608296 OYZGYGPWTKGIBP-JTQLQIEISA-N 403.287 3.308 0 40 HGAB CCOc1ccc(C(=O)NCc2ccc(Cl)cc2)cc1S(=O)(=O)NC(C)C 408701531 ZJGKTYDSKLIEAC-UHFFFAOYSA-N 410.923 3.355 0 40 HGAB COc1nc(CNC(=O)c2sc(-c3ccccc3)nc2C)nc(N2CCCCC2)n1 575607388 MUERQTBVWISZPL-UHFFFAOYSA-N 424.530 3.232 0 40 HGAB COc1ccc(C(=O)N2CC[C@@H](c3ccccc3Cl)S(=O)(=O)CC2)c(OC)c1 585397155 LFOUFKXRHJKLBS-IBGZPJMESA-N 423.918 3.359 0 40 HGAB O=C(c1ccc(C(F)(F)F)nc1)N1CCC(Cn2nc3c(cc2=O)CCCC3)CC1 585501080 VUNYOMLLWDKFKG-UHFFFAOYSA-N 420.435 3.088 0 40 HGAB CCn1ccnc1CN1CCCN([C@H](C)C(=O)N2c3ccccc3CC[C@@H]2C)CC1 592190253 WQXYGSZKUQDHSD-VQTJNVASSA-N 409.578 3.167 0 40 HGAB Nc1ncc(-c2cc(C3[C@H]4CN(C5COC5)C[C@H]34)n(CC3CC3)n2)cc1C(F)(F)F 1535279361 IRPVABHDSJVBNZ-GJZGRUSLSA-N 419.451 3.000 0 40 HGAB CN1CCN(C(=O)COc2ccccc2)[C@@H](Cc2ccc(-c3ccncc3)cc2)C1=O 1848351826 SZGMSMZAQOSVEZ-QHCPKHFHSA-N 415.493 3.039 0 40 HGAB O=C(c1noc2c1CCCC2)N1C[C@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@@H]2C1 1888854238 NGMZVYIXKQMMTI-CHWSQXEVSA-N 406.408 3.176 0 40 HGAB COc1ccc(-n2ncc3c2C[C@@H]2c4cc(OC)c(OC)cc4CCN2C3=O)cc1 1393595 OWRMZFBHYXAFIS-LJQANCHMSA-N 405.454 3.194 0 40 HGAB CC(=O)c1ccc(NC(=O)C(=O)c2cn(CC(=O)N3CCCC3)c3ccccc23)cc1 3007643 QMMFXVGVLWBJDW-UHFFFAOYSA-N 417.465 3.288 0 40 HGAB Cn1c(SCC(=O)Nc2ccc3c(c2)OCCO3)nc2cc(Cl)ccc2c1=O 3285962 SNKZMTZGMTXIOV-UHFFFAOYSA-N 417.874 3.089 0 40 HGAB COc1ccc(N(CC(=O)N2CCCCC2)S(=O)(=O)c2cccc(C)c2)cc1 3419728 RFCFRHZYZNDWFP-UHFFFAOYSA-N 402.516 3.211 0 40 HGAB COc1ccc(CN(C)[C@H](C)C(=O)Nc2ccc(C(C)=O)cc2)c(OC)c1OC 3421885 MFLMGLQDKSFBLX-CQSZACIVSA-N 400.475 3.374 0 40 HGAB C[C@H](OC(=O)Cc1ccc2c(c1)OCCO2)C(=O)Nc1ncc(Cl)cc1Cl 3450872 PWZZIXVYFLKYJX-JTQLQIEISA-N 411.241 3.273 0 40 HGAB O=C(CN1C(=O)NC2(CCCCCCC2)C1=O)Nc1cccc(Br)c1 3463402 FXZFJHMNSUYKAA-UHFFFAOYSA-N 408.296 3.423 0 40 HGAB CCNC(=S)N(Cc1ccc(OC)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O 4134085 PDQQIQNUERASCN-UHFFFAOYSA-N 411.527 3.442 0 40 HGAB Cc1csc(NC(=O)CSc2ccc3nnc(-c4cccc(F)c4)n3n2)n1 4164599 YGQMNYGOBIBVKE-UHFFFAOYSA-N 400.464 3.426 0 40 HGAB CCOC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccccc3)c(O)n2)cc1 4369448 AKBCXBCWHGVISS-UHFFFAOYSA-N 410.455 3.152 0 40 HGAB CCS(=O)(=O)c1ccccc1C(=O)Nc1nc2cc(OC)c(OC)cc2s1 4585764 JUPPENAONGTWRP-UHFFFAOYSA-N 406.485 3.359 0 40 HGAB CCOC(=O)c1nn(-c2ccc(C)cc2)c(=O)cc1OCC(=O)Nc1cccc(C)c1 4853582 QXCMUXZHZVPDTN-UHFFFAOYSA-N 421.453 3.044 0 40 HGAB CC(=O)Nc1ccc(NC(=O)CSc2nnnn2-c2ccc(C)c(Cl)c2)cc1 5015501 UOWBAGBWAJCCLF-UHFFFAOYSA-N 416.894 3.313 0 40 HGAB CCCCNC(=O)CN1CC[C@]2(O)CCCC[C@@H]2[C@@H]1c1cc(OC)ccc1OC 5184078 QUMWUHGCJYLWBL-WTIAFYNJSA-N 404.551 3.288 0 40 HGAB CC(C)(C)c1ccc(C(=O)CCC(=O)OCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1 6082823 UMDODKYLTQTMHM-UHFFFAOYSA-N 423.469 3.299 0 40 HGAB COc1cccc(N(CC(=O)NCCC(C)C)S(=O)(=O)c2ccc(C)cc2)c1 6477441 MHIXRFWGZUOBSR-UHFFFAOYSA-N 404.532 3.361 0 40 HGAB CC(C)(C)c1ccc(S(=O)(=O)N2CCC(C(=O)O[C@@H]3CCCCC3=O)CC2)cc1 6583148 UHMMELWLXAALKH-HXUWFJFHSA-N 421.559 3.440 0 40 HGAB CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)OCC(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C 6664092 GWMDAVQEBFMDBC-CWLMSFPYSA-N 406.498 3.064 0 40 HGAB COc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)c(C)s2)c(OC)c1 6679654 FTKINFFGOIGWBA-UHFFFAOYSA-N 410.517 3.111 0 40 HGAB Cc1ccc(Cl)cc1NC(=O)[C@@H](C)Sc1ccc(S(=O)(=O)N(C)C)cn1 7190611 ZATAFURLZKLZKC-GFCCVEGCSA-N 413.952 3.413 0 40 HGAB CNc1nnc(SCC(=O)N[C@H](c2ccc3c(c2)OCCCO3)C(C)C)s1 7383306 JDIXGRUWUJPOOY-INIZCTEOSA-N 408.549 3.347 0 40 HGAB O=C(CSc1nnc(NC(=O)c2ccccc2F)s1)NCc1ccccc1 7386972 HHVWJOQPIKGCAK-UHFFFAOYSA-N 402.476 3.338 0 40 HGAB Cc1c(C(=O)N2C[C@H](C(=O)N3CCOCC3)Oc3ccccc32)oc2ccccc12 8116447 KZVOZVWUQRDLJG-HXUWFJFHSA-N 406.438 3.008 0 40 HGAB O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)OCCOc1ccc(F)cc1 8188538 HTMVFCYFMVJDMM-UHFFFAOYSA-N 421.490 3.165 0 40 HGAB CC(C)C[C@@H](C(=O)OCC(=O)N[C@@H](C)c1ccccc1)N1C(=O)c2ccccc2C1=O 8283653 BCIVPBLIEMXJFS-JXFKEZNVSA-N 422.481 3.118 0 40 HGAB O=C(NCCC1=CCCCC1)[C@@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O 9059043 MOXOGVKGEFKBSB-JOCHJYFZSA-N 417.509 3.480 0 40 HGAB O=C(COC(=O)c1cc(F)c(F)cc1Cl)NC(=O)c1ccc(OC(F)F)cc1 11401152 CFPXPLULVQYLDZ-UHFFFAOYSA-N 419.714 3.333 0 40 HGAB CC(C)c1ccc(NC(=O)c2cccc(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)c2)cc1 12030526 MOCIJEQFSVLADR-LJQANCHMSA-N 421.540 3.023 0 40 HGAB CCN(CC)C(=O)Cn1c([C@H]2CC(=O)N(c3cccc(OC)c3)C2)nc2ccccc21 12062105 REQVHLJHRUHPBF-KRWDZBQOSA-N 420.513 3.434 0 40 HGAB CN(CC(=O)Nc1ccccc1Br)Cc1ccccc1N1CCOCC1 12522950 YIKDACPINDRQKU-UHFFFAOYSA-N 418.335 3.356 0 40 HGAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)Oc1ccc(F)cc1Cl 12777454 HCHSHTMTLQWLML-GFCCVEGCSA-N 414.886 3.444 0 40 HGAB C[C@H](Sc1nc2ccccc2c(=O)n1CCCO)C(=O)NCCC1=CCCCC1 12781994 BFMGXHDGBUTGIO-INIZCTEOSA-N 415.559 3.266 0 40 HGAB Cc1nnc(SCC(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)n1C1CC1 12812590 UKOKYCKTJIXLGP-UHFFFAOYSA-N 423.424 3.252 0 40 HGAB COc1ccc([C@@H](CNC(=O)c2cc3ccccc3cc2O)N2CCOCC2)cc1 12928541 DZEAUOTWXHXSKD-JOCHJYFZSA-N 406.482 3.357 0 40 HGAB COc1ccc(NS(=O)(=O)c2cc(C)n(S(=O)(=O)c3ccccc3)c2C)cc1 13585951 POJQHTJHIUQHIF-UHFFFAOYSA-N 420.512 3.151 0 40 HGAB O=C(NCCNC(=O)c1nc(-c2cccs2)no1)c1ccc(Cl)c(Cl)c1 15081997 BCVLTMUOLMXHOW-UHFFFAOYSA-N 411.270 3.265 0 40 HGAB Cc1ccc(OCC(=O)OCc2cc(=O)n3nc(CC(C)C)sc3n2)cc1C 15734042 NUOGGUGFYYHPSP-UHFFFAOYSA-N 401.488 3.089 0 40 HGAB O=C(CN(C(=O)c1csnn1)c1cccc2c1CCCC2)NCc1ccccc1 15935673 CEQWHSMLZBZZGB-UHFFFAOYSA-N 406.511 3.380 0 40 HGAB CCOC(=O)c1ccccc1NS(=O)(=O)c1cc(Br)ccc1OC 16129163 FDMITFXDQNWZFK-UHFFFAOYSA-N 414.277 3.435 0 40 HGAB O=C([C@@H]1CN(C(=O)c2cc(Cl)ccc2Cl)c2ccccc2O1)N1CCOCC1 16964319 SMDAUUWKYAYLQV-SFHVURJKSA-N 421.280 3.260 0 40 HGAB CS(=O)(=O)Cc1cccc(C(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)c1 17341051 USRWURBGGWZSEA-UHFFFAOYSA-N 424.526 3.468 0 40 HGAB COc1cccc(C2=NO[C@H]3C(=O)N(c4cc(Cl)ccc4Cl)C(=O)[C@H]23)c1OC 18183467 JBSCRCHHRYVXCR-RHSMWYFYSA-N 421.236 3.303 0 40 HGAB COc1ccc2c(c1)C=C(CN1CCC([C@H](NC(C)=O)c3ccccn3)CC1)CO2 19020428 UQQOHTYDBSXXGO-DEOSSOPVSA-N 407.514 3.455 0 40 HGAB CNc1cc(C2CCN(C(=O)c3cnc(C)cn3)CC2)nc(-c2cnc(C)s2)n1 19238836 KVFNPBIVTXCJQY-UHFFFAOYSA-N 409.519 3.068 0 40 HGAB Cn1cc(CN2CCC([C@@H](NC(=O)Cc3ccccc3)c3ccccn3)CC2)cn1 19290645 HCRBDQOGQAKXDQ-XMMPIXPASA-N 403.530 3.127 0 40 HGAB CN(C)C(=O)[C@@]1(Cc2cccc(-c3cccs3)c2)CCN(C(=O)c2ccn(C)n2)C1 19290862 ATRUOINQNQVDEK-HSZRJFAPSA-N 422.554 3.312 0 40 HGAB C[C@H]1CCC=C2C[C@H]3OC(=O)[C@@H](CN4CCN(C5CCCCC5)CC4)[C@H]3[C@H](O)[C@@]21C 19369858 FXYPTAKKGKQTFF-GJLHXFCQSA-N 416.606 3.222 0 40 HGAB C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1nc3c(s1)CCCCCC3)C2=O 19496138 ICDOEJQMGORRCM-XCLFUZPHSA-N 404.536 3.241 0 40 HGAB Cc1nc(NCc2ccc(CO)cc2)cc([C@H](C)n2ncc3ccccc3c2=O)n1 19655479 SSMORXPEXGOMKX-HNNXBMFYSA-N 401.470 3.209 0 40 HGAB CN(C)c1ncc(-c2ccc(F)cc2)c([C@H]2CCCCN2C(=O)c2ccnn2C)n1 19694352 YLHRLEWMVGHTPY-GOSISDBHSA-N 408.481 3.450 0 40 HGAB COCCC(=O)N1CCCC[C@@H]1c1nc(C)c2c(n1)N(Cc1ccccc1)C(=O)CC2 19701147 LCNMFMHDTXTPKG-HXUWFJFHSA-N 422.529 3.355 0 40 HGAB CCOC(=O)c1oc2ccc(S(=O)(=O)N(C)c3ccccc3C(=O)O)cc2c1C 19943937 PLKURHPHBMHONP-UHFFFAOYSA-N 417.439 3.441 0 40 HGAB CC(C)(C)NC(=O)c1ccccc1NC(=O)c1ccc(NS(C)(=O)=O)c(Cl)c1 20042708 BFTOVVHISRRESD-UHFFFAOYSA-N 423.922 3.492 0 40 HGAB COc1ccc(CCNC(=O)C2CCN(Cc3ccc(F)cc3)CC2)cc1OC 20100444 RJYDBJFPBHVUKV-UHFFFAOYSA-N 400.494 3.414 0 40 HGAB COc1ccc(NC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)cc1Cl 20236912 BMCPLHADUCDVTA-UHFFFAOYSA-N 403.287 3.407 0 40 HGAB COc1ccccc1CN(C)C(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C 20452984 RGTQZCNGYPFAHW-UHFFFAOYSA-N 416.543 3.450 0 40 HGAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)c1 20460826 NIPJLWPJDYYLCK-QGZVFWFLSA-N 416.543 3.219 0 40 HGAB CC(C)Oc1cccc(CNC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)c1 22330817 YRLSKMHAMBRYGI-UHFFFAOYSA-N 410.923 3.210 0 40 HGAB COc1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3cccc(C)c3)CC2)cc1 24612186 BGFSOPTZTUAZFV-UHFFFAOYSA-N 402.516 3.184 0 40 HGAB COc1cc2c(cc1OC)CN(S(=O)(=O)c1cccc(OC(F)(F)F)c1)CC2 24767231 ONJVYXZOSGCTMF-UHFFFAOYSA-N 417.405 3.349 0 40 HGAB COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)c1cc(F)c(F)cc1Cl 25185919 UCIZVYXBPQJAHX-UHFFFAOYSA-N 410.804 3.494 0 40 HGAB Cc1cccc(CS(=O)(=O)c2nnc(NC(=O)COc3ccccc3C)s2)c1 27664141 PKWQMVDQFHSJEH-UHFFFAOYSA-N 417.512 3.146 0 40 HGAB O=C(CN1CCN(Cc2ccc(-c3ccccc3F)s2)CC1)NCC(F)(F)F 27904740 LKELPMMOGWIRQF-UHFFFAOYSA-N 415.456 3.350 0 40 HGAB CCOc1ccccc1NC(=O)CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C 29754926 CDDYYZTZJYZNAB-HSZRJFAPSA-N 407.470 3.413 0 40 HGAB CSCC[C@H](NC(=O)CN1C(=O)[C@@H](C)Oc2ccccc21)c1nc2ccccc2[nH]1 30911586 QJVNAIPJXPXGGH-PBHICJAKSA-N 424.526 3.287 0 40 HGAB COc1ccc(CSC2=N[C@@H]3CS(=O)(=O)C[C@@H]3N2c2ccc(F)cc2F)cc1 32639746 SQDKUXDZMUXXKI-AEFFLSMTSA-N 424.494 3.248 0 40 HGAB CC(=O)c1cccc(N2C(SCc3ccccc3F)=N[C@@H]3CS(=O)(=O)C[C@@H]32)c1 32641164 UCMLZEAZFDYAFO-MOPGFXCFSA-N 418.515 3.303 0 40 HGAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C1(c2cccc(Cl)c2)CC1 32764407 SHJCRPJSWDFOKD-UHFFFAOYSA-N 408.907 3.269 0 40 HGAB O=C(CSc1nc2ncccc2c(=O)n1-c1ccccc1)NCCc1cccs1 32876562 HAUXPZLJYKVSLP-UHFFFAOYSA-N 422.535 3.293 0 40 HGAB COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc2c(c1)NC(=O)CCS2 32991052 GGTRGBZBCMTNOA-GOSISDBHSA-N 423.494 3.116 0 40 HGAB COc1ccc([C@@H]2[C@H](C(=O)NCc3ccncc3)c3ccccc3C(=O)N2C)cc1 36359301 XOEBUAQPYSGJER-FGZHOGPDSA-N 401.466 3.317 0 40 HGAB COc1ccc([C@@H](C)NC(=O)CN(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1 38754124 RSWIIMOCIRZDSN-CQSZACIVSA-N 410.923 3.300 0 40 HGAB C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)[C@@H]1CC(=O)N(C2CC2)C1 40040599 KXLZEKYOOUDVOA-QFBILLFUSA-N 405.498 3.469 0 40 HGAB COc1ccc(-c2ccc(=O)n(CC(=O)N[C@H](C)CCc3ccccc3)n2)cc1OC 44893793 ICROZPSKEDSZLW-QGZVFWFLSA-N 421.497 3.065 0 40 HGAB CCCCn1c(=O)c2sccc2n2c(CCC(=O)NCc3ccc(C)o3)nnc12 45895922 IRTUZWPLEVUEEY-UHFFFAOYSA-N 413.503 3.056 0 40 HGAB COc1ccc(Cl)cc1NC(=O)c1nn(-c2cccc(F)c2)c(OC)cc1=O 49407635 JYGQRTZFNORQRE-UHFFFAOYSA-N 403.797 3.295 0 40 HGAB CCCn1c(=O)c2sccc2n(CC(=O)Nc2cccc(Br)c2)c1=O 57485846 YJDLPQBCLAFSJR-UHFFFAOYSA-N 422.304 3.036 0 40 HGAB Cc1ccc(Br)cc1NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 59308952 YMQZRTCTPALAAW-GFCCVEGCSA-N 417.259 3.478 0 40 HGAB Cc1cccc(NC(=O)Cn2cnc3nc(N(C)Cc4ccccc4)sc3c2=O)c1 67225721 FXBLONQOBAVPTR-UHFFFAOYSA-N 419.510 3.437 0 40 HGAB CC[C@H](Cn1nnc2ccccc2c1=O)NC(=O)C1(c2ccc(Cl)cc2)CCC1 72324165 PXZDPIRQQQGJMQ-QGZVFWFLSA-N 410.905 3.462 0 40 HGAB Cc1cccc(Cc2cc(C)nc([C@@H]3CCCN(C(=O)c4ccc(=O)[nH]n4)C3)c2)c1 72356163 QTOMNJCJZIIZJX-HXUWFJFHSA-N 402.498 3.392 0 40 HGAB COc1ccccc1[C@H](C)NC(=O)Cn1cnc2cc(Br)ccc2c1=O 78808746 RYTAJZYYYIEQBD-LBPRGKRZSA-N 416.275 3.045 0 40 HGAB COc1cc2oc(=O)cc(C)c2cc1CCC(=O)NC[C@@H]1CCCN2CCCC[C@H]12 79190738 HCJKJACDWSCUHZ-AZUAARDMSA-N 412.530 3.423 0 40 HGAB biogenic O=C1Cc2cc(S(=O)(=O)Nc3cc(Cl)ccc3OC[C@@H]3CCCO3)ccc2N1 84490238 SPDXWXHBZKWTDZ-AWEZNQCLSA-N 422.890 3.193 0 40 HGAB O=C(NCCc1ccncc1)[C@H]1C[C@@]2(CO1)CN(Cc1ccccc1)c1ccccc12 96262847 SBDXPRNKMLQPJC-RSXGOPAZSA-N 413.521 3.487 0 40 HGAB C/C=C/c1ccc(OC[C@H](O)CNC[C@H](c2ccc(OC)cc2)N(C)C)c(OC)c1 96311028 YSQGJSKNXKXPMX-GHEJJDCBSA-N 414.546 3.369 0 40 HGAB COc1ccc(C(=O)N2CCN(c3cc(-c4ccc(F)cc4)n[nH]3)CC2)c(OC)c1 98211790 MQEJTALTVTUQSX-UHFFFAOYSA-N 410.449 3.195 0 40 HGAB Cn1ccc(C(=O)N2[C@H]3CC[C@@H](C3)[C@H]2COc2cccc(C(F)(F)F)c2)cc1=O 100112648 DHKGLHSQMMXGQJ-QANKJYHBSA-N 406.404 3.476 0 40 HGAB COc1ccc(CN(C)[C@@H]2CC(=O)N(c3cc(C)c(Cl)cc3OC)C2=O)cc1 102819592 PCCZTWUIVLOLDD-GOSISDBHSA-N 402.878 3.430 0 40 HGAB CCOc1ccc(NC(=O)[C@@H](CC(C)C)N2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1OC 102952149 UDXLSOKDQGPVSA-FGTMMUONSA-N 414.502 3.398 0 40 HGAB Cc1ccccc1C(=O)N[C@@H](C)c1nnc(SCC(=O)NCc2ccccc2)n1C 107647748 ZQISEQVHMYHXGW-INIZCTEOSA-N 423.542 3.023 0 40 HGAB COC(=O)[C@H]1CC[C@@]2(O)[C@@H]3CC[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC(=O)[C@]12C 118923312 HPLLIRHYKNUAJM-SYNLSATQSA-N 406.519 3.044 0 40 HGAB CCc1ccc([C@@H](C)NC(=O)[C@@H](C)N(c2ccc(OC)cc2)S(C)(=O)=O)cc1 223144632 CJBOVHLMLYFMAY-HZPDHXFCSA-N 404.532 3.290 0 40 HGAB CCC1(CC)C[C@H](NC(=O)C2CCN(S(=O)(=O)CC)CC2)c2ccccc2O1 223208252 AUIKPBOMCDWTAD-SFHVURJKSA-N 408.564 3.247 0 40 HGAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1nnc(SCC(=O)OC)s1 224117117 XLCKDKXINNMGIG-LLVKDONJSA-N 401.897 3.253 0 40 HGAB COc1ccc(OCC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NCC(C)C)cc1 224279513 DMPSDYMDHAOXJI-KRWDZBQOSA-N 416.493 3.403 0 40 HGAB COCCOc1cc(CN2CCC[C@@](O)(COc3ccccc3)C2)ccc1OC 257205423 AYYWJDKWVKQBKO-QHCPKHFHSA-N 401.503 3.126 0 40 HGAB CC(C)CCC(=O)NC[C@@]1(c2ccccc2)CC[C@H](O)[C@@H](N2CCC(O)CC2)CC1 257268268 MKXYFLGUMRPEOO-LSQMVHIFSA-N 416.606 3.237 0 40 HGAB Cc1cnc(N2CC[C@@H](NC(=O)C(C)C)[C@@]3(CCN(Cc4cccs4)C3)C2)nc1 306136049 PHNIALQQRMGAAE-DENIHFKCSA-N 413.591 3.090 0 40 HGAB CS(=O)(=O)N(CC(=O)NCc1ccccc1)Cc1ccc(Cl)c(Cl)c1 408606349 IMIVAUHTWVPLAR-UHFFFAOYSA-N 401.315 3.071 0 40 HGAB CC1CCN(S(=O)(=O)c2cccc(N3C(=O)[C@H]4CC[C@@](C)(C3=O)C4(C)C)c2)CC1 408722011 OHXCYCNXNBHDPB-GCJKJVERSA-N 418.559 3.423 0 40 HGAB Fc1ccc(Br)cc1Cc1noc(Cn2nnc(-c3ccccc3)n2)n1 546987567 UVMLENQZYPZDRB-UHFFFAOYSA-N 415.226 3.264 0 40 HGAB O=C(COc1ccccc1Cl)N1CCC(Cn2nc3c(cc2=O)CCCC3)CC1 1775985952 KNFLBLIDIPCMQU-UHFFFAOYSA-N 415.921 3.093 0 40 HGAB O=S(=O)(NC[C@]1(O)CCCc2sccc21)c1ccc(OC(F)(F)F)cc1 1889260335 MLROFIRSKZPXEV-OAHLLOKOSA-N 407.435 3.149 0 40 HGAB COc1ccc(NC(=O)CSc2nnc(COc3ccc(OC)cc3)n2C)cc1 873140 GODPBGSTRJEIIN-UHFFFAOYSA-N 414.487 3.142 0 40 HGAB CCOC(=O)[C@](Nc1ccc(C)cc1)(NS(=O)(=O)c1ccccc1)C(F)(F)F 2230189 ZRCHFFAYMKDTSB-KRWDZBQOSA-N 416.421 3.207 0 40 HGAB COC(=O)c1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2C[C@H]2CCCO2)cc1 2439145 BLNCAYJJPOLDMN-OXQOHEQNSA-N 419.433 3.304 0 40 HGAB CCOc1ccc([C@@H]2C(C(=O)OC)=C(C)N=C3S[C@@H](C)C(=O)N32)cc1OCC 2503543 SCFDTKCXLPJMJR-YVEFUNNKSA-N 404.488 3.306 0 40 HGAB COc1ccc(C(=O)NC(=O)COC(=O)CCCc2nc3ccccc3s2)cc1 2635888 RIJAZZUARQARKW-UHFFFAOYSA-N 412.467 3.127 0 40 HGAB COC(=O)C1=C(CSc2nnc(C)s2)NC(=O)N[C@H]1c1cc(C)ccc1C 4436501 LLWCIKFTYXQHPJ-HNNXBMFYSA-N 404.517 3.037 0 40 HGAB CCN1CCN(c2ccc(C(=O)OC)cc2NC(=O)c2cccc(C)c2OC)CC1 4739183 YNYNPEBOHPBMTF-UHFFFAOYSA-N 411.502 3.184 0 40 HGAB CCOC(=O)c1ccc(N2C(=O)c3[nH]nc(C)c3[C@@H]2c2ccc(C(=O)OC)cc2)cc1 4928866 GTOXUPFTNBKAIO-FQEVSTJZSA-N 419.437 3.431 0 40 HGAB CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(C(C)(C)C)cc2)cc1 6214080 DSDCETQNWXGWOB-UHFFFAOYSA-N 417.531 3.202 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN(C)C1CCCCC1 6637724 JBVDYQDCDCOANA-UHFFFAOYSA-N 423.579 3.073 0 40 HGAB CCN(CC)c1ccc(NC(=O)Cn2c(=O)n(CC)c(=O)c3sccc32)c(C)c1 6679085 BZIBWWUUTGFGFX-UHFFFAOYSA-N 414.531 3.038 0 40 HGAB COc1ccc(C(=O)Nc2ccc(-n3c(C)nc4ncccc4c3=O)cc2)cc1OC 7508480 LTMAMZFNQIOGOW-UHFFFAOYSA-N 416.437 3.359 0 40 HGAB CS(=O)(=O)N1CCCc2cc(C(=O)CSc3ccc4c(c3)OCCO4)ccc21 7737123 RXOGVBDHIKIUNS-UHFFFAOYSA-N 419.524 3.145 0 40 HGAB CCOc1ccc(NC(=O)COC(=O)CCC(=O)Nc2cccc(C(C)=O)c2)cc1 8415448 CFFNCNIIAVUUJQ-UHFFFAOYSA-N 412.442 3.189 0 40 HGAB Cc1occc1-c1nnc(SCC(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)o1 8573254 ODXANSNQHWJNED-NSHDSACASA-N 401.444 3.379 0 40 HGAB CC(=O)N1CCC(N2C[C@@H]3C[C@H](C2)c2c(-c4ccccc4F)ccc(=O)n2C3)CC1 8635279 MAGXBKUVFIPCTB-ZWKOTPCHSA-N 409.505 3.084 0 40 HGAB biogenic,in-vitro Cc1c(-c2ccccc2)oc2c(C(=O)N(C)[C@H]3CCS(=O)(=O)C3)cccc2c1=O 9183957 KQVUGKQXXICLMY-INIZCTEOSA-N 411.479 3.028 0 40 HGAB COc1ccc(OC)c(NC(=O)COC(=O)COc2cccc(Br)c2)c1 9440047 JSLLKKYJSXOVRI-UHFFFAOYSA-N 424.247 3.027 0 40 HGAB O=S1(=O)C[C@@H]2N=C(SCc3ccccc3)N(CCc3ccc(F)cc3)[C@H]2C1 9484783 UEJMLSQGFYAHNE-OALUTQOASA-N 404.532 3.139 0 40 HGAB CN(Cc1ccccc1)C(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 9801017 XHLWMXBCZAECBH-UHFFFAOYSA-N 401.532 3.203 0 40 HGAB COc1ccc(C(C)=O)cc1CN1C(=O)N[C@@](C)(c2ccc3c(c2)OCCCO3)C1=O 9870966 VXTMKRBITPNQGZ-QHCPKHFHSA-N 424.453 3.026 0 40 HGAB CNC(=O)NC(=O)CSc1nnc(-c2cc3c(s2)CC[C@H](C(C)(C)C)C3)n1C 9944385 JFSDWKKOQLVNPW-LBPRGKRZSA-N 421.592 3.242 0 40 HGAB COc1cc(C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)s2)ccc1C 10769967 FWDGAHNZJPLGQN-UHFFFAOYSA-N 408.545 3.170 0 40 HGAB CCn1nnc2cc(C(=O)OCC(=O)Nc3ccccc3Br)ccc21 10857304 XRIZARNKRXUKPN-UHFFFAOYSA-N 403.236 3.009 0 40 HGAB COc1cc(C(=O)N2CCC[C@H](c3noc(-c4ccccn4)n3)C2)cc(OC)c1OC 12291937 ZSSWGQNXXDXJCQ-AWEZNQCLSA-N 424.457 3.177 0 40 HGAB CN(C)c1ccc([C@@H](CNC(=O)CN2CCCC2=O)c2c[nH]c3ccccc23)cc1 12534808 VOLAEYVLINGVCR-HXUWFJFHSA-N 404.514 3.104 0 40 HGAB CCS(=O)(=O)N1CCC(C(=O)Nc2ccc(SCc3cccnc3)cc2)CC1 12565284 AMZUIQPGPCVHSB-UHFFFAOYSA-N 419.572 3.374 0 40 HGAB Cc1cc(C)c(NC(=O)CN(C)C(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)c(C)c1 12984947 XBFNBBUIQXHHGR-HXUWFJFHSA-N 407.514 3.057 0 40 HGAB Cc1ccc(C)c(S(=O)(=O)N2CCN(Cc3nc4ccccc4s3)CC2)c1 12985384 KJLMHMAQUFLBIZ-UHFFFAOYSA-N 401.557 3.420 0 40 HGAB CCCCNC(=O)CN1CCN(C(=O)c2ccc(Oc3ccc(F)cc3)cc2)CC1 12986649 OYWPJYVYKLFLSZ-UHFFFAOYSA-N 413.493 3.292 0 40 HGAB O=C(OCc1nnc(-c2ccccc2)o1)[C@@H]1CS[C@]2(c3ccccc3)CCC(=O)N12 13112301 RVOZUKAVRAVIGN-JTSKRJEESA-N 421.478 3.371 0 40 HGAB Cc1ccc(C(=O)NCCCN2CCCCCC2)cc1S(=O)(=O)N1CCCCC1 13669809 QBZBNJCZKNTHHR-UHFFFAOYSA-N 421.607 3.166 0 40 HGAB CCOC(=O)N1CCC(NC(=O)CN(Cc2c(F)cccc2Cl)C2CC2)CC1 14239097 WOFADIYRVGHKTG-UHFFFAOYSA-N 411.905 3.181 0 40 HGAB O=C1Cc2cc(C(=O)CSc3ncnc4c3cnn4-c3ccccc3)ccc2N1 14250694 STGYKGDEWIGHDR-UHFFFAOYSA-N 401.451 3.285 0 40 HGAB CCC[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)NCCc1ccc(OC)cc1 14260220 ICRUGBBFSAYFJL-HXUWFJFHSA-N 401.482 3.161 0 40 HGAB CCOC(=O)C1=C(CN(C)[C@@H](c2ccccc2)c2ccc(F)cc2)NC(=O)N[C@@H]1C 14814183 GOHLCEDCABWBBI-VFNWGFHPSA-N 411.477 3.365 0 40 HGAB Cc1ccc(S(=O)(=O)NCCc2csc3nc(-c4cccs4)nn23)s1 15783869 XZSCVOHRWRKYIX-UHFFFAOYSA-N 410.571 3.410 0 40 HGAB CCN(CC)C(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(CCc3ccccc3)C2)cc1 16000962 GBDVJVAQKQRYQC-FQEVSTJZSA-N 407.514 3.198 0 40 HGAB O=C(c1cc([C@@H]2CCCN(Cc3cccc(Cl)c3)C2)no1)N1CCC(O)CC1 19293403 CVWVRMLGLWYMEP-MRXNPFEDSA-N 403.910 3.305 0 40 HGAB O=C(COC[C@H]1COc2ccccc2O1)N1CCC[C@H](COc2ccc(F)cc2)C1 19375732 IQDRVGVVOPYKMY-PXNSSMCTSA-N 415.461 3.300 0 40 HGAB CCOc1ccc(O[C@H](C)C(=O)NCc2ccc(-c3ccnc4ncnn34)cc2)cc1 19533612 IKINAMKANBBSGF-MRXNPFEDSA-N 417.469 3.274 0 40 HGAB CCn1nc(C(=O)N[C@@H](C)Cc2cn(C)c3ccc(OC)cc23)c2ccccc2c1=O 19717063 WAANQEAASSYEKH-HNNXBMFYSA-N 418.497 3.278 0 40 HGAB CCn1nccc1C(=O)N1CCC([C@H]2CCCCN2C(=O)COc2ccccc2)CC1 19747033 LQYGEXLYDBQQJX-OAQYLSRUSA-N 424.545 3.215 0 40 HGAB Cc1nc([C@@H]2CCCN(C(=O)c3ccccn3)C2)ncc1C(=O)NCc1ccccc1 19765384 CJBNRYRAHSXORN-LJQANCHMSA-N 415.497 3.130 0 40 HGAB COc1ccccc1CNC(=O)c1cnc(C2CCN(C(=O)C(C)(C)C)CC2)nc1C 19766557 SPHSBACVXJKLOT-UHFFFAOYSA-N 424.545 3.476 0 40 HGAB C[C@H]1CC(=O)c2c(nc(N3CCN(c4ncccn4)CC3)nc2Nc2ccccc2)C1 20801912 VZYDMFOPPHJKOE-MRXNPFEDSA-N 415.501 3.102 0 40 HGAB CCOc1ccc(S(=O)(=O)NC[C@H](c2cn(C)c3ccccc23)N(C)C)cc1F 21696217 VWXAQFPUZMPXDQ-HXUWFJFHSA-N 419.522 3.297 0 40 HGAB CCOc1ccc(NC(=O)C2CCN(C(=O)OCC(F)(F)F)CC2)cc1OC 22192720 OYORSUBAPRWHPA-UHFFFAOYSA-N 404.385 3.443 0 40 HGAB C[C@@H]1Cc2cc(C(=O)OCc3nc4ccccc4s3)ccc2N1S(C)(=O)=O 24423041 PDGPNSDQYQQMHD-GFCCVEGCSA-N 402.497 3.364 0 40 HGAB CN(CC(=O)Nc1ccccc1Cl)C(=O)[C@@H]1CCCCN1C(=O)c1cccs1 24646774 ROTIVPGIRIVMFE-INIZCTEOSA-N 419.934 3.493 0 40 HGAB COc1ccc(-c2nc(COC(=O)CCn3c(C)csc3=O)cs2)c(OC)c1 24746672 CODYIBPEXCENJF-UHFFFAOYSA-N 420.512 3.492 0 40 HGAB COC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2cccc(N(C)C)c2)CC1 30685334 DWORVEBVEJOMAI-FQEVSTJZSA-N 415.921 3.078 0 40 HGAB COc1ccc(CC(=O)NC[C@@H](c2ccccc2Cl)N2CCOCC2)cc1F 32375215 JJEAMXMTKHGMDU-IBGZPJMESA-N 406.885 3.220 0 40 HGAB CCN(CC)[C@@H](CNC(=O)[C@H](C)NC(=O)/C=C/c1ccccc1)c1cccc(OC)c1 32753485 JBXPZGMKSLMVHU-FKTWDOJWSA-N 423.557 3.412 0 40 HGAB CC(C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCN(C)c1ccccc1 32822718 LSTBOVWHZXIJSG-QFIPXVFZSA-N 406.530 3.104 0 40 HGAB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)cc3F)C2=O)ccc1O 33705774 DNCNEPANRBKULH-FRKPEAEDSA-N 420.393 3.354 0 40 HGAB CCOC(=O)[C@@H]1C(=O)[C@@H](C(=O)OCC)[C@@H](c2ccccc2)N(C)[C@@H]1c1ccccc1 35183086 SMOICQRJIQLAGP-UWHLTILDSA-N 409.482 3.342 0 40 HGAB O=C(Nc1ccccc1-n1ccnn1)c1nn(-c2ccccc2)c(=O)c2ccccc12 36391422 XCKYJAMKTFBDMI-UHFFFAOYSA-N 408.421 3.219 0 40 HGAB C[C@H]1CN(Cc2ccccc2NC(=O)NCc2ccc(-n3cccn3)nc2)C[C@@H](C)O1 40145362 CXIBUNPMNGROPD-HDICACEKSA-N 420.517 3.198 0 40 HGAB O=C(Cc1ccc(OC(F)(F)F)cc1)NC[C@H](c1cccs1)N1CCOCC1 48091848 PJGMJFSDSDGVPB-MRXNPFEDSA-N 414.449 3.379 0 40 HGAB COc1cccc(CO[C@@H](C)C(=O)NCCNC(=O)c2ccc(C(F)(F)F)cc2)c1 48361452 YSBLLLRYZFCQDH-AWEZNQCLSA-N 424.419 3.165 0 40 HGAB Cc1ccc(Oc2nccn3c(=O)n(CC(=O)Nc4ccc(C)cc4C)nc23)cc1 49008274 RASZWVCZCBQCKQ-UHFFFAOYSA-N 403.442 3.247 0 40 HGAB Cc1ccc(C)c(-c2cc3c(=O)n(CC(=O)Nc4cccc(Cl)c4)ncn3n2)c1 51317060 VBLSYOKOJXYZRO-UHFFFAOYSA-N 407.861 3.467 0 40 HGAB Cn1ccnc1[C@@](O)(CC(=O)N1CCC[C@@H]1Cc1ccccc1Cl)C(F)(F)F 55524852 KGQJZFZJUCMUSS-KDOFPFPSSA-N 415.843 3.447 0 40 HGAB Cc1cc(=O)c(C(=O)Nc2ccc(Br)cn2)nn1-c1ccccc1F 57807606 MHUFSKRPZKYFNT-UHFFFAOYSA-N 403.211 3.090 0 40 HGAB COc1ccc(NC(=O)N2CCC(NC(=O)c3cc(C)no3)CC2)cc1OC(F)F 58341322 OEAXEBHJJGGYKY-UHFFFAOYSA-N 424.404 3.019 0 40 HGAB CCOc1ccc(-n2ccn3c(SCC(=O)c4ccc(F)cc4)nnc3c2=O)cc1 64593804 VTDXVSBQVHFGJF-UHFFFAOYSA-N 424.457 3.393 0 40 HGAB COc1ccc(-c2nnc(-c3cc(I)ccc3N)nc2O)cc1 69982219 RWASEESABLKTPU-UHFFFAOYSA-N 420.210 3.107 0 40 HGAB CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1cc(Br)ccc1O 72314348 PKBCZDWMNIOZSI-KRWDZBQOSA-N 416.275 3.322 0 40 HGAB O=C(CN1CC[C@H](c2cc(CCOc3ccc(C(F)(F)F)cc3)[nH]n2)C1)N1CCC1 72371752 JAJRHZXEZKNVOL-HNNXBMFYSA-N 422.451 3.072 0 40 HGAB O=S(=O)(c1cc(F)cc(F)c1)N1CCC[C@@H]1c1cc(Nc2ccccn2)[nH]n1 72382923 HUTCHDLKAFZWOE-MRXNPFEDSA-N 405.430 3.352 0 40 HGAB Cc1cnc(CCNC(=O)c2cnn(-c3ccc(Br)cc3)c2C)nc1 89702265 ULYQMFVTXIFCCD-UHFFFAOYSA-N 400.280 3.014 0 40 HGAB O=C(NCC1([C@H](O)c2ccccc2)CC1)[C@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 89825938 LWBSKLMSPXABGZ-NZQKXSOJSA-N 424.516 3.237 0 40 HGAB COC(=O)c1cc(NC(=O)CCCN(C)S(=O)(=O)c2cccs2)cc(C)c1C 95393509 SHOXIJCAYAJVPT-UHFFFAOYSA-N 424.544 3.191 0 40 HGAB CCN1CC[C@@]2(CN(CC(C)C)CC23CCN(C(=O)Cc2ccsc2)CC3)C1=O 96144330 LYYQDOHJPAJPAZ-HSZRJFAPSA-N 417.619 3.110 0 40 HGAB COc1cccc(N2C(=O)C[C@@H](N3CCC(c4nc5ccccc5o4)CC3)C2=O)c1 101490475 QQEVROAXUJWYGO-LJQANCHMSA-N 405.454 3.348 0 40 HGAB CCOC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccc(NC(C)=O)cc1 113870374 IFMIVMIQAPHYNN-UHFFFAOYSA-N 410.879 3.057 0 40 HGAB CC[C@@H](C)NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(OC)cc1 113937910 YGMUKRKTESGNEE-CQSZACIVSA-N 410.923 3.459 0 40 HGAB Cc1cccc(N(CCCC(=O)N[C@H](C)COc2ccccc2C)S(C)(=O)=O)c1 219622414 IIOBVNBQMXPILV-LJQANCHMSA-N 418.559 3.433 0 40 HGAB CC[C@@H](C(=O)N[C@H](C)COc1ccccc1C)N(c1cccc(C)c1)S(C)(=O)=O 220524647 FXGVWDIJVKKYFP-QUCCMNQESA-N 418.559 3.432 0 40 HGAB CC[C@H](C(=O)NCCCc1cccc(C)c1)N(c1ccccc1F)S(C)(=O)=O 220602727 BFZAGEKGNLDBRF-LJQANCHMSA-N 406.523 3.428 0 40 HGAB Cc1cccc(-c2noc(CNS(=O)(=O)Cc3ccc(Br)cc3)n2)c1 223652678 UFGBGGLKGGABPO-UHFFFAOYSA-N 422.304 3.427 0 40 HGAB C[C@H](C(=O)NCc1cccc(C(F)(F)F)c1)N(c1ccccc1F)S(C)(=O)=O 224222459 FOJRQYZBKKAAJK-GFCCVEGCSA-N 418.412 3.315 0 40 HGAB COc1ccc(C(=O)N2CCCC2)cc1CN(c1ccc(F)cc1)S(C)(=O)=O 224761151 HNPXQQLZIHUCPT-UHFFFAOYSA-N 406.479 3.037 0 40 HGAB Cc1ccc(CN(CC(=O)Nc2ccc(Br)cc2)S(C)(=O)=O)cc1 225028701 LWUAXAVGAFBKGT-UHFFFAOYSA-N 411.321 3.158 0 40 HGAB Cc1ccc(CCCNC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 225468948 DHMYBFINYFPNFY-UHFFFAOYSA-N 400.544 3.145 0 40 HGAB Cc1ccc2c(c1)c(=O)ccn2CC(=O)N1CCN(C/C=C/c2ccccc2)CC1 225747681 NUMIWJGNJANVFZ-VMPITWQZSA-N 401.510 3.168 0 40 HGAB CCN(CC(=O)Nc1ccc2sncc2c1)S(=O)(=O)c1cc(F)ccc1OC 226069614 PVZLISBSQRANDT-UHFFFAOYSA-N 423.491 3.093 0 40 HGAB COc1ccc2c(c1)O[C@]1(C[C@H]3CC[C@H]1C[C@H]3C(=O)NCc1ccccc1F)NC2=O 247917608 BQMNYYYNDCZDBI-BXVHLGLYSA-N 424.472 3.405 0 40 HGAB CN(C)C(=O)c1sc2nc([C@@H]3CCCCN3C(=O)c3cccnc3)ccc2c1N 257285639 PICZJUDNFBEOLA-INIZCTEOSA-N 409.515 3.343 0 40 HGAB C[C@H](NC(=O)[C@H](C)N(c1ccccc1F)S(C)(=O)=O)c1ccc2c(c1)CCC2 260924465 HXLFKMPGQDHUBZ-GJZGRUSLSA-N 404.507 3.346 0 40 HGAB COc1ccc(CN2C[C@H]3[C@@H](C2)n2cccc2C(=O)N3Cc2csc(C)n2)cc1 306125860 DDYOKNMRWGNHDQ-RTWAWAEBSA-N 408.527 3.343 0 40 HGAB CC(=O)N(C)c1ncc(-c2nc(C(=O)Nc3cc(C)ccn3)c3ccccn23)s1 306128175 GTAKHJALEPMXHK-UHFFFAOYSA-N 406.471 3.396 0 40 HGAB COCCN1CCC[C@@]2(CN(Cc3cc(F)cc(F)c3OC)CC(F)(F)C2)C1=O 306132653 LOKPXFRUDXYVJA-LJQANCHMSA-N 418.431 3.070 0 40 HGAB COc1ccc(O)c(NC(=S)NC(=O)c2c(F)c(F)c(OC)c(F)c2F)c1 408626793 IHOAEIBQHSXUIP-UHFFFAOYSA-N 404.341 3.093 0 40 HGAB Cc1ccc(C(=O)c2ccccc2C(=O)N2CCC(c3nc(O)n[nH]3)CC2)cc1C 535837660 MRSITLPLVLFTDQ-UHFFFAOYSA-N 404.470 3.378 0 40 HGAB COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](Oc2ncc(Cl)cn2)C1 575610537 VPMYGCJDJCJWTO-CYBMUJFWSA-N 418.302 3.024 0 40 HGAB CC(=O)Nc1cccc(-c2cnc3n2CCN(C(=O)COCc2ccccc2)CC3)c1 585111422 TWJJKSFGGBWVMS-UHFFFAOYSA-N 418.497 3.110 0 40 HGAB Cc1c(C(=O)NC[C@H](O)c2ccc(C(F)(F)F)cc2)c2ccccc2n(C)c1=O 1629124245 WWVXYMBBNLAYRC-KRWDZBQOSA-N 404.388 3.329 0 40 HGAB O=C(NCC1(N2CCSCC2)CCOCC1)c1csc(-c2ccccc2)n1 1888866444 ITKVGVMQNQJFTC-UHFFFAOYSA-N 403.573 3.138 0 40 HGAB O=C1CC[C@H](C(=O)N(Cc2cccs2)C2(C(=O)NC3CCCC3)CCCCC2)N1 2457442 RAJSUQFVUJUCGD-GOSISDBHSA-N 417.575 3.117 0 40 HGAB O=C(COC(=O)c1cccc(I)c1)NC1CCCCCC1 3255162 INXKGZIBIHIDDA-UHFFFAOYSA-N 401.244 3.287 0 40 HGAB CC(C)N(C)S(=O)(=O)c1cccc(C(=O)OCC(=O)c2ccc(F)c(F)c2)c1 3442754 CUSNRKOZMJRZOT-UHFFFAOYSA-N 411.426 3.033 0 40 HGAB CC(C)CN(C(=O)Cc1cccc2ccccc12)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 3528610 LLFPQYOJZRRBIJ-UHFFFAOYSA-N 422.529 3.160 0 40 HGAB Cc1c(C(=O)OCC(=O)NC(=O)NCC(C)C)oc2ccc(Br)cc12 3532296 CJJLCBXIVNTPHT-UHFFFAOYSA-N 411.252 3.142 0 40 HGAB CCc1ccc(NC(=O)CSc2nc3c(c(=O)n2CCOC)S[C@@H](C)C3)cc1 4108070 JTLOWTICFPNUHC-ZDUSSCGKSA-N 419.572 3.220 0 40 HGAB Cc1ccc(CNC(=O)COc2coc(CN3CCc4ccccc43)cc2=O)cc1 4304471 CPNQFUZJERNQHP-UHFFFAOYSA-N 404.466 3.206 0 40 HGAB CCOc1cc2c(cc1OCC)[C@@H](c1ccc(OCC(=O)O)c(OC)c1)NCC2 4577247 OLBLALJILDGNIY-JOCHJYFZSA-N 401.459 3.191 0 40 HGAB biogenic CCOC(=O)[C@H]1CCCN(C(=O)COc2ccc(C(=O)c3ccc(F)cc3)cc2)C1 5021060 JKAKOUXYTGCDTR-SFHVURJKSA-N 413.445 3.237 0 40 HGAB COc1ccc2c(C)c(CC(=O)NC3CCN(Cc4ccccc4)CC3)c(=O)oc2c1 5321458 YGXCNHMZBOCUOQ-UHFFFAOYSA-N 420.509 3.433 0 40 HGAB Cc1cc(S(=O)(=O)N(C)CC(=O)Nc2cccc(F)c2)ccc1Br 5938746 MXDXEJADIYJBJF-UHFFFAOYSA-N 415.284 3.156 0 40 HGAB Cc1cccc(OCC(=O)Nc2ccc3c(c2)nc(CCn2ccccc2=O)n3C)c1 6665063 DOXUXOKJYUAGKI-UHFFFAOYSA-N 416.481 3.304 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)COC(=O)CC1CCCC1 6788800 RBLCLWYHHHIHHZ-UHFFFAOYSA-N 422.547 3.232 0 40 HGAB O=C(/C=C/c1cccc(Br)c1)OCCN1C(=O)c2ccccc2C1=O 6943459 MENKZQDXCGNWHN-CMDGGOBGSA-N 400.228 3.302 0 40 HGAB C[C@@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)C(=O)NC1CCCCCC1 7095135 GNTIDADUOWJVDK-CQSZACIVSA-N 411.531 3.428 0 40 HGAB Cc1cc(=O)c(C(=O)NCCCN2CCCC[C@@H]2C)nn1-c1ccc(Cl)cc1 7240726 WRJHDYFWPYOREP-HNNXBMFYSA-N 402.926 3.189 0 40 HGAB CCCCn1c(COC(=O)c2cc(C)cc(C)c2)nc2cc(S(N)(=O)=O)ccc21 7901133 PMUDTHKNLGFORJ-UHFFFAOYSA-N 415.515 3.458 0 40 HGAB COc1cccc(OC)c1C(=O)OCC(=O)Nc1ccc(C(=O)OCC(C)C)cc1 7939954 NUBZSGUUZGKQJK-UHFFFAOYSA-N 415.442 3.312 0 40 HGAB CCOc1ccccc1N1C[C@H](C(=O)OCC(=O)Nc2cccc(Cl)c2)CC1=O 8039768 IKCRTPFTZALCTA-CQSZACIVSA-N 416.861 3.274 0 40 HGAB Cc1nc(Cc2nnc(SCc3nc(N)nc(Nc4ccccc4)n3)o2)cs1 8965726 HXQHUJBFLMWUQH-UHFFFAOYSA-N 412.504 3.228 0 40 HGAB Cc1cc(NC(=O)COc2ccc(Cl)cc2Cl)n(-c2nc(C)c(C)c(=O)[nH]2)n1 9822321 ANSFFTCKMXEIEP-UHFFFAOYSA-N 422.272 3.205 0 40 HGAB C[C@H]1Cc2ccccc2N1C(=O)Cc1csc(NS(=O)(=O)c2ccccc2)n1 9828700 HBOYAKIPCCGJHH-AWEZNQCLSA-N 413.524 3.464 0 40 HGAB COc1ccc(OC)c(C2=NO[C@@H](C(=O)Nc3cc(Br)ccc3O)C2)c1 9856700 OBHJXFZIPRCFAJ-QGZVFWFLSA-N 421.247 3.304 0 40 HGAB CN(C)CCN(C(=O)[C@H]1COc2ccccc2O1)c1nc2c(F)cc(F)cc2s1 10066368 ZUEOQVRZCXWWBS-MRXNPFEDSA-N 419.453 3.309 0 40 HGAB O=C(NCCCN1CCc2ccccc21)c1ccc(I)cc1 10113735 QJJIRSXKLUYVLF-UHFFFAOYSA-N 406.267 3.474 0 40 HGAB CN(CC(=O)Nc1cccc(N2CCCC2=O)c1)Cc1ccc(OC(F)F)cc1 10140267 LRHBQNNIJOPFBG-UHFFFAOYSA-N 403.429 3.485 0 40 HGAB O=C(CCCN1C(=O)c2ccc(Br)cc2C1=O)NOCc1ccccc1 10319058 OQSAUVGUKIFFPJ-UHFFFAOYSA-N 417.259 3.073 0 40 HGAB Cc1ccc(S(C)(=O)=O)cc1NCC(=O)Nc1ccc(Br)cc1F 11036174 WUHZHTPOLJKSLM-UHFFFAOYSA-N 415.284 3.351 0 40 HGAB CS(=O)(=O)c1cccc(C(=O)NCc2ccc(COCC(F)(F)F)cc2)c1 11483627 HACHNBYNQPSPNI-UHFFFAOYSA-N 401.406 3.099 0 40 HGAB Cc1ccc(CNC(=O)Cn2nc(C(C)C)c3cnn(-c4ccccc4)c3c2=O)cc1 12228915 KRXVSLCGUZDXOD-UHFFFAOYSA-N 415.497 3.330 0 40 HGAB COc1ccccc1CC(=O)N[C@@H]1CC(C)(C)Cc2nc(-c3cnccn3)ncc21 12239102 USBMKESRLLRXGW-QGZVFWFLSA-N 403.486 3.315 0 40 HGAB Cc1cc(C(F)(F)F)n2nc([C@H]3CCN(C(=O)c4cnn(C(C)C)c4)C3)cc2n1 12258037 MUHKDETTZLSCMG-ZDUSSCGKSA-N 406.412 3.464 0 40 HGAB COc1ccc([C@@H](O)CN2CCC3(CC2)C[C@@H](O)c2cc(F)ccc2O3)cc1OC 12329657 LVJYNKJPGVZBOW-MOPGFXCFSA-N 417.477 3.227 0 40 HGAB Cc1cc(S(=O)(=O)Nc2ccc(C(=O)N3C[C@H](C)O[C@H](C)C3)cc2)ccc1F 12521337 VQIWMQZGQCFWCH-GASCZTMLSA-N 406.479 3.184 0 40 HGAB CN(CC(=O)Nc1ccc(C(=O)N(C)C)cc1)Cc1ccccc1N1CCCCC1 12606455 XXLURWZPTOBQAM-UHFFFAOYSA-N 408.546 3.449 0 40 HGAB C[C@@H](NC(=O)CSc1nnc([C@H]2COc3ccccc3O2)n1C)c1ccccc1 12772981 QDZFCDJNKJNCJC-RDTXWAMCSA-N 410.499 3.297 0 40 HGAB C[C@H](c1ccc(F)cc1)N(C)C(=O)CN1CCC(C(=O)Nc2ccccc2O)CC1 12781300 RBJGECPNYVGIHS-MRXNPFEDSA-N 413.493 3.401 0 40 HGAB CN(C(=O)c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1)[C@H]1CCS(=O)(=O)C1 12781922 VYIGBSZIDMOQBI-HNNXBMFYSA-N 419.890 3.045 0 40 HGAB CCOC(=O)c1ccc(S(=O)(=O)N(CC)[C@H](C)C(=O)Nc2ccc(C)cc2)cc1 12803625 YZXRTGXCTOBZRS-MRXNPFEDSA-N 418.515 3.210 0 40 HGAB O=C(CN1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1)NCc1ccccc1 13015953 OIGGNVSEZJBNHV-UHFFFAOYSA-N 413.521 3.428 0 40 HGAB Cn1nc(CC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)c2ccccc2c1=O 14016050 KYONNAFUTBPLAF-FQEVSTJZSA-N 419.481 3.001 0 40 HGAB C/C=C/c1cc(C(=O)OCC(=O)c2ccc3c(c2)NC(=O)CO3)cc(OC)c1OC 15545097 KFYOXMAAIRQMTM-SNAWJCMRSA-N 411.410 3.108 0 40 HGAB COC(=O)c1ccc(NC(=O)C(=O)NCCc2sc(-c3ccccc3)nc2C)cc1 16992258 WMBQHIIVMUAVQN-UHFFFAOYSA-N 423.494 3.203 0 40 HGAB CCOC(=O)c1cc(Cc2ccccc2)sc1NC(=S)N1CCN(C)CC1 17082755 LQZCGKDEIQVPAU-UHFFFAOYSA-N 403.573 3.460 0 40 HGAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)cc1C 17328153 BSOSSLPKCOYKKN-IAGOWNOFSA-N 402.516 3.354 0 40 HGAB CC(C)C(=O)N1CCC(c2nc(O)cc([C@@H]3CCCN(C(=O)C4CCC4)C3)n2)CC1 19085246 WNRKSZCWJUZXMJ-GOSISDBHSA-N 414.550 3.050 0 40 HGAB Cc1cc(-c2cc(O)nnc2C2CCN(C(=O)c3c(F)cccc3F)CC2)on1 19121205 LQBCZYMBBIILFC-UHFFFAOYSA-N 400.385 3.444 0 40 HGAB O=C(N[C@@H]1CCCOC1)c1cc(C2CCN(Cc3ccc(F)c(F)c3)CC2)no1 19292873 NHJWJHJETXGPMU-MRXNPFEDSA-N 405.445 3.241 0 40 HGAB Cc1cnc(C(=O)N2CCCC[C@@H]2c2nc(C)c3c(n2)N(CC(C)C)C(=O)CC3)cn1 19740981 FGJKONXNMYRBQX-LJQANCHMSA-N 422.533 3.186 0 40 HGAB O=C(COC(=O)[C@H]1CC(=O)N(c2ccccc2F)C1)Nc1cccc(C(F)(F)F)c1 21131386 KOVOLEYUARBLHN-LBPRGKRZSA-N 424.350 3.379 0 40 HGAB O=C(c1cccs1)[C@@H]([C@@H](c1ccc(Cl)cc1)N1CCOCC1)N1CCOCC1 21548812 VKCYIXOKAGLMNZ-WOJBJXKFSA-N 420.962 3.359 0 40 HGAB COc1ccc(C)cc1N(CC(=O)N[C@H](C)c1cc(C)ccc1C)S(C)(=O)=O 22336194 IGWMHQOAHPGANK-QGZVFWFLSA-N 404.532 3.264 0 40 HGAB CCN1CCN(C(=O)[C@@H](C)Sc2nnc(-c3ccc(N(CC)CC)cc3)o2)CC1 24721597 FXADLYPFYDZGLZ-MRXNPFEDSA-N 417.579 3.228 0 40 HGAB COc1ccc(/C=c2\sc3nc(/C=C/c4ccc(F)cc4)nn3c2=O)cc1OC 27023204 RPUHSMWHVSLIMJ-AWTFBBCTSA-N 409.442 3.025 0 40 HGAB COc1ccc(C(=O)Nc2nnc(S(=O)(=O)Cc3ccccc3C)s2)cc1 27664709 BMDOQHYFCBLAOX-UHFFFAOYSA-N 403.485 3.081 0 40 HGAB Cc1ccc(CN2C[C@@H](C(=O)OCC(=O)Nc3ccc(F)c(Cl)c3)CC2=O)cc1 28609418 ADIZZZMDLYBYOV-HNNXBMFYSA-N 418.852 3.318 0 40 HGAB COc1cccc(C(=O)N2CCN(C(=O)C(C)(C)Oc3ccc(Cl)cc3)CC2)c1 29112078 KVFAQUNTJUVOCG-UHFFFAOYSA-N 416.905 3.491 0 40 HGAB O=C(CCc1ccccc1Cl)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 30928285 FQJVRVUZGOHCIC-SFQUDFHCSA-N 418.946 3.418 0 40 HGAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1cccnc1OCC(F)(F)F 32796909 MDGGHMJDWQEXAH-ZDUSSCGKSA-N 405.380 3.437 0 40 HGAB COC(=O)c1ccc(CS(=O)(=O)N2CCC[C@@H]2c2ccc(OC)c(OC)c2)cc1 32824135 PCLJDGVZZDVGDX-GOSISDBHSA-N 419.499 3.157 0 40 HGAB O=C(NCCCC(=O)N1CCC(C(=O)c2ccc(O)cc2)CC1)NC1CCCCC1 32900379 LMCPQHVKLHWYMT-UHFFFAOYSA-N 415.534 3.226 0 40 HGAB COc1ccc(OC)c(CN2CCN(S(=O)(=O)c3ccc(C)cc3Cl)CC2)c1 32901258 BNTQSDIQCIPUIN-UHFFFAOYSA-N 424.950 3.172 0 40 HGAB CSCC[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1)C(=O)Nc1cc(C)cc(C)c1 35485535 PDJBLAWXIUPELH-SFTDATJTSA-N 411.571 3.194 0 40 HGAB Cc1c[nH]c(=O)n1-c1ccc(C(=O)NCc2cccc(NC(=O)c3ccco3)c2)cc1 40158161 GLCOEEDINMGHHD-UHFFFAOYSA-N 416.437 3.249 0 40 HGAB Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2=O 44135896 AUSFXKQDZJPCTA-UHFFFAOYSA-N 424.476 3.231 0 40 HGAB in-vitro COC(=O)C1=C(C)N(C[C@H]2CCCO2)C(=O)N[C@@H]1c1csc(Br)c1 45712470 CADQLFMYOYECIQ-BXUZGUMPSA-N 415.309 3.203 0 40 HGAB CCn1c(=O)[nH]c2cc(C(=O)O[C@@H](c3ccccc3)c3ccccn3)ccc2c1=O 48310817 JOXSYHLOZBLLOX-FQEVSTJZSA-N 401.422 3.051 0 40 HGAB O=S(=O)(NC[C@@H](c1ccco1)N1CCCC1)c1ccccc1OC(F)(F)F 48325207 GUYUCBLKZMTKDU-ZDUSSCGKSA-N 404.410 3.294 0 40 HGAB C[C@H]1CN(c2ccc(NC(=O)NC[C@H](O)c3cccc(F)c3)cc2F)C[C@@H](C)O1 58323147 VICNIYJXNFVZBN-MNVSYLFESA-N 405.445 3.434 0 40 HGAB COc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCN(C)CC2)cc1OC(F)F 58379500 CUIPMWQSNIEKKK-LJQANCHMSA-N 405.445 3.224 0 40 HGAB COc1cccc(-c2cn(CC(=O)Nc3ccccc3C)nc2N2CCOCC2)c1 62006956 FDJDFMCDURBNEK-UHFFFAOYSA-N 406.486 3.342 0 40 HGAB CC1CCN(Cc2ccccc2CNC(=O)C(=O)N(C)c2ccc(F)c(F)c2)CC1 65501123 FXWIAQZCGROZSQ-UHFFFAOYSA-N 415.484 3.476 0 40 HGAB O=C(NCCc1csc(N2CCCC2)n1)Nc1ccnn1Cc1cccs1 72309625 ROOIROXDWCELNB-UHFFFAOYSA-N 402.549 3.414 0 40 HGAB CC(C)c1c(C(=O)NC[C@@H](O)C(F)(F)F)cnn1-c1ccc(C(F)(F)F)cn1 72311669 SGQWGJCITBODPS-LLVKDONJSA-N 410.318 3.063 0 40 HGAB CNC(=O)[C@]1(Cc2ccccc2-c2ccccc2)CN(Cc2ccccn2)CCO1 72389034 YAJPKXURTRRBCO-VWLOTQADSA-N 401.510 3.308 0 40 HGAB COc1ccc2[nH]c3c(c2c1)CN(C(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccccc1)CC3 79188465 XJTOINYROIXGNC-JPYJTQIMSA-N 403.482 3.281 0 40 HGAB biogenic CC(C)n1nc(CC(=O)NCCc2c[nH]c3ccc(F)cc23)c2ccccc2c1=O 79501373 KYIJASUEPXYCNS-UHFFFAOYSA-N 406.461 3.499 0 40 HGAB O=C(C[C@@H](Cn1cnnn1)c1ccc(Cl)cc1)NCCCc1nc2ccccc2[nH]1 95473022 WNLFOCKDBAWGQT-INIZCTEOSA-N 423.908 3.126 0 40 HGAB CCN(CC)C(=O)C[C@H]1CC2(CCN(C(=O)c3cnccn3)CC2)c2ccccc21 96053058 KAJPKNOVNOVJIC-SFHVURJKSA-N 406.530 3.396 0 40 HGAB O=C(c1ccc2c(c1)OCO2)N1CCN(c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1 98211721 VMCZXOUJAZHAMI-UHFFFAOYSA-N 410.861 3.421 0 40 HGAB Cc1cc(NC(=O)[C@@H](C)N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc(C)c1Br 102088169 OMNLLCIIGKQJNP-FDICVXPISA-N 417.303 3.200 0 40 HGAB Cc1ccc(S(=O)(=O)CCC(=O)OCC(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)cc1 103141742 YPBLTGRQNYJRRV-VGSWGCGISA-N 421.559 3.129 0 40 HGAB Cc1nc(SCC(=O)N2CCC(C(N)=O)CC2)n([C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c1C 104814674 RCIJVJASQCQXMH-KCITZHQASA-N 418.607 3.313 0 40 HGAB CC(=O)[C@@]1(OS(=O)(=O)O)CC[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118930026 FOZOMGIBIVGVDR-OGNRNXDYSA-N 412.548 3.457 0 40 HGAB C[C@@H](NS(=O)(=O)c1ccc(NC[C@H]2CCCO2)c(C(=O)O)c1)c1ccccc1 217611688 UNEIYYKGIRGHEZ-GDBMZVCRSA-N 404.488 3.015 0 40 HGAB CCOc1ccccc1CCCNC(=O)[C@H](C)N(c1cccc(C)c1)S(C)(=O)=O 220142366 PLENJRLGYXNDLQ-SFHVURJKSA-N 418.559 3.297 0 40 HGAB C[C@H](C(=O)NCCSCc1ccccc1)N(c1cccc(F)c1)S(C)(=O)=O 220468428 CXLXKYPKBKBBTQ-OAHLLOKOSA-N 410.536 3.030 0 40 HGAB CCOC(=O)c1cccc(NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2Cl)c1 222520175 OOJVPEINNCVPEH-UHFFFAOYSA-N 410.879 3.165 0 40 HGAB Cc1ccccc1OC[C@@H](C)NC(=O)CCCN(c1ccccc1C)S(C)(=O)=O 222562463 PXEBLBHUJUQUPV-LJQANCHMSA-N 418.559 3.433 0 40 HGAB CN(C)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(O)cc1 223279829 WEAFRXZXXLMPLT-LEWJYISDSA-N 407.543 3.112 0 40 HGAB CCn1c(=O)oc2cc(S(=O)(=O)NCc3ccc(Cl)cc3)c(Cl)cc21 223360460 JCMZIKUCWUTSOC-UHFFFAOYSA-N 401.271 3.400 0 40 HGAB COC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(OC3CCN(C)CC3)cc2)c1 223839558 VJKQKPWTRXXFSL-UHFFFAOYSA-N 418.515 3.055 0 40 HGAB COc1ccc(CN(C(=O)COc2ccccc2F)[C@H](C)C(=O)NC(C)C)cc1 225680635 IXTBMIMSCUWUDX-MRXNPFEDSA-N 402.466 3.155 0 40 HGAB CC(C)c1ccc(OCC(=O)N2CCC(n3c(=O)[nH]c4ccccc4c3=O)CC2)cc1 225758716 KWSYWJCKJGBFNU-UHFFFAOYSA-N 421.497 3.056 0 40 HGAB COc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cc(C)ccc3C)C2)cc1 225922568 FTIKHBJJAARYGW-QGZVFWFLSA-N 402.516 3.351 0 40 HGAB CCOc1ccc(CN2C[C@@H]3CCC[C@](O)(c4cnc(OC)nc4OC)[C@H]3C2)cc1 253385442 SPVKGXOCFVAXKB-NYDSKATKSA-N 413.518 3.012 0 40 HGAB CN(C(=O)c1c[nH]nc1C1CCN(C(=O)C[C@H]2CCCCO2)CC1)C1CCCCC1 257218432 DDDAXZXWWHFJMV-LJQANCHMSA-N 416.566 3.480 0 40 HGAB Cc1ccc(N([C@H](C)C(=O)NCCc2ccc(Cl)cc2)S(C)(=O)=O)cc1C 260795984 PSJYRYIAMMLPSQ-MRXNPFEDSA-N 408.951 3.470 0 40 HGAB O=C1NC(=O)/C(=C\c2ccc(OCc3ccccc3)c(I)c2)N1 409045183 HXWSEDDNUSIILN-NTEUORMPSA-N 420.206 3.051 0 40 HGAB COc1ccc(C(=O)N[C@@H]2C(=O)N/[N+](=C\c3ccccc3)[C@@H]2c2ccc(C)cc2)cc1 409058591 TTZURWNJSDDGEE-HFXBMHRVSA-O 414.485 3.020 0 40 HGAB CC(C)(C)NC(=O)COc1ccc(S(=O)(=O)NC2CCCCC2)cc1Cl 409364111 VGOZIYLQBJZALE-UHFFFAOYSA-N 402.944 3.245 0 40 HGAB O=C1COC[C@@]2(CN(Cc3ccc(C(F)(F)F)cc3)CCO2)CN1c1ccccc1 2037984198 UAODCKVSFRHWOG-OAQYLSRUSA-N 420.431 3.340 0 40 HGAB Cc1ccc(S(=O)(=O)N2C=CCN(S(=O)(=O)c3ccc(C)cc3)C=CC2)cc1 1701338 BELQCFGSYUDSBR-UHFFFAOYSA-N 418.540 3.026 0 40 HGAB COc1ccc([C@H]2C[C@H](c3ccccc3)n3nc(N4C(=O)CCC4=O)nc3N2)cc1 2418908 MVGUOZHOIAPPOI-QZTJIDSGSA-N 403.442 3.086 0 40 HGAB COC(=O)c1ccc([C@H]2C(C(=O)OCC(C)C)=C(C)N=C3SCCC(=O)N32)cc1 2502007 OFTIKJWRJCMKDK-SFHVURJKSA-N 416.499 3.323 0 40 HGAB O=C(CCNC1=NS(=O)(=O)c2ccccc21)Nc1ccc(-c2ccccc2)cc1 3408760 ZZQSNTYYXKRJLC-UHFFFAOYSA-N 405.479 3.421 0 40 HGAB O=C(NCc1cccs1)C(=O)NC[C@H](c1cccs1)N1CCc2ccccc21 4305675 INRIOJUJWBWJJV-GOSISDBHSA-N 411.552 3.346 0 40 HGAB Cn1c(=O)n(Cc2ccccc2Cl)c(=O)c2c1nc1oc(-c3ccccc3)cn12 4317117 NVWFTBWQKGMVNW-UHFFFAOYSA-N 406.829 3.310 0 40 HGAB CCc1cccc(-n2ccn(CC(=O)Nc3ccccc3C(F)(F)F)c(=O)c2=O)c1 4569982 QEISBCXNMXBMSR-UHFFFAOYSA-N 417.387 3.219 0 40 HGAB O=C(C1CCCCC1)N1CCC[C@H](c2nc(O)c3nnn(Cc4ccccc4)c3n2)C1 4862000 NSXQFSNHSDJYRP-SFHVURJKSA-N 420.517 3.262 0 40 HGAB Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(N3CCCS3(=O)=O)c2)c(C)c1 5075838 MVDAFGZJQYQOFM-UHFFFAOYSA-N 414.936 3.298 0 40 HGAB COc1ccc(OC)c(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)C(C)C)CCC3)c1 5136579 CFCOSJHOBHYXLV-UHFFFAOYSA-N 418.515 3.440 0 40 HGAB CCOc1ccc(N2C[C@@H](NC(=O)c3ccccc3Br)CC2=O)cc1 5195877 RMDAESPRCIFRMB-ZDUSSCGKSA-N 403.276 3.383 0 40 HGAB COc1ccc(N2C[C@H](NC(=O)N[C@H]3C[C@H](C)CC(C)(C)C3)CC2=O)cc1OC 5202060 PNWPXDZIPMVZMY-HRCADAONSA-N 403.523 3.323 0 40 HGAB COc1cccc([C@H]2c3c(n[nH]c3-c3cc(Cl)c(C)cc3O)C(=O)N2CCO)c1 5343061 QMGURYPYNPIVBY-FQEVSTJZSA-N 413.861 3.290 0 40 HGAB COc1ccc(OC)c(NC(=O)Cn2nc(-c3cc(C)c(C)cc3C)ccc2=O)c1 5410351 NTYCYIVDIIPHKR-UHFFFAOYSA-N 407.470 3.491 0 40 HGAB O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 5574166 VMIWPIJKMXHOEE-LBPRGKRZSA-N 406.360 3.468 0 40 HGAB O=C(CSc1nc(-c2ccccc2F)n[nH]1)Nc1ccccc1C(=O)NC1CC1 5678463 WNVQATWJPOVRLP-UHFFFAOYSA-N 411.462 3.234 0 40 HGAB COc1ccc(C2(CNC(=O)c3cc(OC)c(OC)c(OC)c3)CCOCC2)cc1 6457658 ZKZRXMGCPYKITJ-UHFFFAOYSA-N 415.486 3.199 0 40 HGAB CCCCCNC(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(OC)cc1 6597127 UUJGGKANSDWLLU-UHFFFAOYSA-N 420.531 3.206 0 40 HGAB CCOc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2N[C@H](C)COC)cc1 6653281 CLHRPSHQPCSYCJ-CQSZACIVSA-N 416.503 3.276 0 40 HGAB Cn1cc(C(=O)NS(=O)(=O)Nc2ccc(Br)cc2)c2ccccc21 6661865 MSDDTEKGFUYQPH-UHFFFAOYSA-N 408.277 3.028 0 40 HGAB CCCOc1ccc(C(=O)N(Cc2ccccc2F)[C@@H]2CCS(=O)(=O)C2)cc1 6811058 TWAWBPXJLFRHIM-GOSISDBHSA-N 405.491 3.444 0 40 HGAB CCc1nnc2n1N[C@H](c1ccc(F)cc1)[C@H](C(=O)Nc1cccc(OC)c1)S2 6812116 GCKOGNXJWZKEHJ-QZTJIDSGSA-N 413.478 3.386 0 40 HGAB CC(C)(C)c1ccc(-c2nnc3sc(SCC(=O)N4CCOCC4)nn23)cc1 6906469 AWFDCSYPKSGWFS-UHFFFAOYSA-N 417.560 3.101 0 40 HGAB Cc1nnc(SCC(=O)Nc2cccc(N3CCCC3=O)c2)n1Cc1ccccc1 6988547 WYIFWLLUBMERGB-UHFFFAOYSA-N 421.526 3.492 0 40 HGAB CN(C)S(=O)(=O)c1cccc(NC(=O)CNc2cccc(C(F)(F)F)c2)c1 7955817 UOTLPHRFVZSIRH-UHFFFAOYSA-N 401.410 3.006 0 40 HGAB CC1=C(C(=O)N2CCOCC2)[C@@H](c2cccc(F)c2)NC(=O)N1Cc1ccccc1 8263853 NLSSIAKWZUDTPQ-OAQYLSRUSA-N 409.461 3.225 0 40 HGAB COc1cccc(CNC(=O)c2ccc3c(c2)S(=O)(=O)N=C2CCCCCN23)c1 8331600 CMPLHFWYLPBUNY-UHFFFAOYSA-N 413.499 3.106 0 40 HGAB CC1=CC[C@H]2C(=O)N(c3ccc(C(=O)Nc4cccc(C(=O)O)c4)cc3)C(=O)[C@H]2C1 8472244 HEJYJPUFVSFISC-MOPGFXCFSA-N 404.422 3.483 0 40 HGAB Cc1cccc(Cn2c(=O)c3c(nc4n3CCCN4c3cccc(C)c3)n(C)c2=O)c1 8656887 RKTZILNMCZUTCB-UHFFFAOYSA-N 415.497 3.104 0 40 HGAB Cc1ccc(-n2nc3c(c2NC(=O)CN2C(=O)c4ccccc4C2=O)CSC3)cc1 8909923 CLDHSTAHNDPLHQ-UHFFFAOYSA-N 418.478 3.162 0 40 HGAB O=C(NCCc1c[nH]c2ccc(Cl)cc12)[C@@H]1CCCN(c2ncnc3[nH]cnc23)C1 9059686 MJFUBQKDHUVIEM-CQSZACIVSA-N 423.908 3.063 0 40 HGAB Cc1cc(Cl)ccc1OCC(=O)Nc1nc2nc(-c3ccccc3)cc(O)n2n1 9164647 ZBYYFYCYSDFLAP-UHFFFAOYSA-N 409.833 3.476 0 40 HGAB CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCC(C)(C)C(=O)N3)c(C)c1 9169011 FFDBLFUSPQCPDC-UHFFFAOYSA-N 417.487 3.111 0 40 HGAB COc1ccc(N2CCn3c(SCC(=O)Nc4ccc(F)cc4F)nnc32)cc1 9574027 VFWHVENERKYZEA-UHFFFAOYSA-N 417.441 3.447 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)COC(=O)c1cccs1 9661695 GUIQBILEJSJDTH-UHFFFAOYSA-N 422.528 3.027 0 40 HGAB CS(=O)(=O)c1cccc(-c2nnc(NC(=O)CCSc3ccc(F)cc3)o2)c1 9707647 CLMKOXVCSDRWSC-UHFFFAOYSA-N 421.475 3.400 0 40 HGAB CN(C)S(=O)(=O)c1cccc(C(=O)OCc2ccc(Br)cc2F)c1 9960675 JFJVCPPNKKMAAJ-UHFFFAOYSA-N 416.268 3.196 0 40 HGAB CS(=O)(=O)Nc1cccc(CNC(=O)NCc2cccc(C(F)(F)F)c2)c1 10356247 ANJZGWTXXABKBP-UHFFFAOYSA-N 401.410 3.076 0 40 HGAB COc1ccccc1CCNC(=O)CSc1ccc(NC(=O)c2ccccc2)nn1 11737858 ZPDKCRYHXDJPMV-UHFFFAOYSA-N 422.510 3.189 0 40 HGAB CC(=O)Nc1ccc(NC(=O)CCNC(=O)N2CCc3c([nH]c4ccccc34)C2)cc1 12296883 JXMKWPQOGZILFC-UHFFFAOYSA-N 419.485 3.223 0 40 HGAB biogenic CCOc1nn(CC)cc1-c1nnc(SCC(=O)Nc2ccc(Cl)cc2)n1C 12422698 RJPPLAPORLJOAZ-UHFFFAOYSA-N 420.926 3.481 0 40 HGAB Cc1ccc(NC(=O)Cn2nc(C)c(S(=O)(=O)N3CCC(C)CC3)c2C)cc1F 12761576 SSKPNTCPQSVIRA-UHFFFAOYSA-N 422.526 3.007 0 40 HGAB COc1ccccc1[C@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 12802022 FLNZOYWXRBPKRC-HNNXBMFYSA-N 420.506 3.112 0 40 HGAB Cc1cc(NC(=O)C(c2ccccc2)c2ccccc2)n([C@H]2CCS(=O)(=O)C2)n1 12921379 HOZJTUACGJGDKI-IBGZPJMESA-N 409.511 3.322 0 40 HGAB COc1cc(CC(=O)NCc2cccc(NC(=O)C(C)C)c2)cc(OC)c1OC 12927140 VLMVCANAVOUJCA-UHFFFAOYSA-N 400.475 3.166 0 40 HGAB C[C@H](OC(=O)c1ccc(Cl)c(S(C)(=O)=O)c1)C(=O)NC1CCCCCC1 12954366 PCWOVAAAQMOHSY-LBPRGKRZSA-N 401.912 3.128 0 40 HGAB CC[C@H](CNC(=O)c1cc(S(N)(=O)=O)ccc1Br)c1ccccc1 13003454 DOKSGVIRDHQLGI-GFCCVEGCSA-N 411.321 3.020 0 40 HGAB COc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)c2ccco2)CC3)cc1F 13696594 NAQDXHRRUSHQLL-UHFFFAOYSA-N 416.430 3.431 0 40 HGAB CC[C@H](C(=O)Nc1ccccc1C(=O)OC)N(c1cccc(Cl)c1)S(C)(=O)=O 13712032 DMHYGFFYIAQZPZ-QGZVFWFLSA-N 424.906 3.310 0 40 HGAB COc1ccc(S(=O)(=O)NCC2CCC(C(=O)Nc3ncc(C)s3)CC2)cc1 13720307 HKELKAGDUYNGEX-UHFFFAOYSA-N 423.560 3.184 0 40 HGAB CN(C)CCNC(=O)COc1ccc2cc(-c3ccc(Cl)cc3)c(=O)oc2c1 13729230 CSONQQSLUIKDLX-UHFFFAOYSA-N 400.862 3.170 0 40 HGAB COC(=O)c1cccc(OC[C@@H](O)CN(C)Cc2ccc(Br)s2)c1 14242191 MIRLZTZRMBWKQZ-ZDUSSCGKSA-N 414.321 3.169 0 40 HGAB CN(Cc1ccc(OCC(=O)Nc2c(Cl)cccc2Cl)cc1)S(C)(=O)=O 14400588 CCIWUYXIFIGMEM-UHFFFAOYSA-N 417.314 3.402 0 40 HGAB COc1ccc([C@@H]2C(C)=Nc3ccccc3N=C2NC(=O)CN2CCOCC2)cc1 14608021 FTJQIIDCWDRAJI-QFIPXVFZSA-N 406.486 3.063 0 40 HGAB COc1ccc(OC)c([C@H]2CCCN2C(=O)c2ccc(CS(C)(=O)=O)cc2)c1 15828259 STHVBIPXRKWRET-LJQANCHMSA-N 403.500 3.226 0 40 HGAB O=C(CC1CCCCC1)N1CCc2nc([C@H]3CCCN3C(=O)C3CC3)nc(O)c2C1 19014746 HZWRPRLSJRYANX-LJQANCHMSA-N 412.534 3.111 0 40 HGAB Cc1ccn(CCC(=O)N2CCC[C@H]2c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C)N3)n1 19238071 MMTZNJULRORELI-VNQPRFMTSA-N 410.444 3.449 0 40 HGAB CC[C@H](C)NC(=O)CN1C(=O)C(C)(C)Oc2ccc(C(=O)c3cccs3)cc21 19499970 GWOQBVIHUZVUAX-ZDUSSCGKSA-N 400.500 3.398 0 40 HGAB CC[C@@H](c1ccc(F)cc1)n1cc(C(=O)Nc2ccc3c(c2)N(C)C(=O)CO3)nn1 19500453 DTPQLWCJJDKHSZ-KRWDZBQOSA-N 409.421 3.024 0 40 HGAB CCc1cc(C(F)(F)F)n2nc([C@H]3CCCN(Cc4cnc(OC)nc4)C3)cc2n1 19522240 CUDMUZJEMMHTPL-AWEZNQCLSA-N 420.439 3.489 0 40 HGAB CCN1C(=O)c2ccccc2C(=O)[C@@]2(C)CN(Cc3ccc(NC(C)=O)cc3)C[C@@H]12 19528285 GZZNOEBZVXZEFU-QPPBQGQZSA-N 405.498 3.194 0 40 HGAB COc1ccc(CN2CCN(C(=O)c3ccccc3OC)CC2)cc1Br 19568771 DTBOGCNCUPMBFC-UHFFFAOYSA-N 419.319 3.424 0 40 HGAB COc1ccccc1CN1CCC(C(=O)Nc2nc(-c3cnn(C)c3)cs2)CC1 19661218 SKTLMFWAMMWMGY-UHFFFAOYSA-N 411.531 3.403 0 40 HGAB Cc1nc([C@H]2CCN(C(=O)c3cc(C4CC4)on3)C2)nc2c1CCC(=O)N2CC(C)C 19738796 WTOBJSICRDNKIC-INIZCTEOSA-N 423.517 3.215 0 40 HGAB O=C(CN1CC[C@H](c2cc(COc3ccccc3F)[nH]n2)C1)NC1CCCCC1 19738948 OXQHOHCYYJDVJM-INIZCTEOSA-N 400.498 3.366 0 40 HGAB CCOC(=O)[C@@H]1C(=O)N(CCCOC)c2nc3ccccc3n2[C@@H]1c1cccc(C)c1 19818386 YPHMUBASGGCFLM-LEWJYISDSA-N 421.497 3.497 0 40 HGAB CCOc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccccc3)C2)cc1 19857122 YCULOXQODODXLG-SFHVURJKSA-N 402.516 3.266 0 40 HGAB CCOc1ccc(N([C@H](C)C(=O)N[C@@H](C)c2ccc(OC)cc2)S(C)(=O)=O)cc1 20456324 BKXBSSQXFKYLJE-JKSUJKDBSA-N 420.531 3.126 0 40 HGAB CSc1ccccc1NC(=O)C(=O)NC[C@H](c1cn(C)c2ccccc12)N(C)C 21698380 MHXCWTYTQGJWPL-LJQANCHMSA-N 410.543 3.258 0 40 HGAB CSCC[C@@H](NS(=O)(=O)c1cc(C)ccc1C)C(=O)NCc1ccccc1F 21872721 VWZDQXBJDSCKPL-GOSISDBHSA-N 424.563 3.159 0 40 HGAB COc1cc(CNC(=O)c2ccc(CSc3ncn[nH]3)cc2)cc(OC)c1OC 22276203 MSCGWCFOMOLAAF-UHFFFAOYSA-N 414.487 3.053 0 40 HGAB Cc1ccc2c(c1)[C@H](NC(=O)CN(c1ccccc1C)S(C)(=O)=O)CC(C)(C)O2 22327068 AYGWGCZVFHTDEK-GOSISDBHSA-N 416.543 3.488 0 40 HGAB COc1ccc(CN2CCN(C(=O)CCC(=O)c3ccc4c(c3)CCC4)CC2)cc1 24119452 ZVHWUVFXSAHWFY-UHFFFAOYSA-N 406.526 3.491 0 40 HGAB CC(C)c1ccccc1OC[C@H](O)Cn1cnc2c(cnn2-c2ccccc2)c1=O 25058346 PUWONTYBAFOJFE-GOSISDBHSA-N 404.470 3.146 0 40 HGAB CC(C)(C)c1csc(NC(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)n1 25447221 ZFLNPRJYDJGHHI-UHFFFAOYSA-N 403.476 3.026 0 40 HGAB CCCn1c(CN(C)Cc2ccsc2)nc2cc(S(=O)(=O)N(C)C)ccc21 26301443 CDOATNYZMRRNOB-UHFFFAOYSA-N 406.577 3.390 0 40 HGAB Cc1cccc(NC(=O)c2ccc(Cl)cc2F)c1C(=O)N1CCC(C(N)=O)CC1 27293610 YHYVXPWBVFYLBM-UHFFFAOYSA-N 417.868 3.377 0 40 HGAB COc1cc(CC(=O)Nc2cc(C(C)(C)C)nn2[C@@H]2CCS(=O)(=O)C2)ccc1C 28622250 AJJVSNXDMLKZOW-MRXNPFEDSA-N 419.547 3.038 0 40 HGAB CS(=O)(=O)N[C@H]1CCCN(C(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)C1 29190936 NZPPNIQNYCRGRF-AWEZNQCLSA-N 416.421 3.119 0 40 HGAB COC(=O)c1sccc1NC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 32411200 JCVYBQBKKDQRDP-JTQLQIEISA-N 423.288 3.289 0 40 HGAB CN(C)C1(CNC(=O)Cc2csc(NC(=O)c3ccco3)n2)CCCCCC1 32781044 DZKRELPEAFICFC-UHFFFAOYSA-N 404.536 3.302 0 40 HGAB CSCC[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NC[C@H]1CCCO1 32975817 NTCINOXWIBQOAD-DOMZBBRYSA-N 405.347 3.140 0 40 HGAB CN1c2ccc(C(=O)Nc3ccc4c(c3)OCO4)cc2-c2ccccc2S1(=O)=O 33088620 MXZLGFBQOCOCJC-UHFFFAOYSA-N 408.435 3.473 0 40 HGAB O=C(CNC(=O)C(=O)Nc1ccc(Cl)cc1)Nc1ccc(Cl)c(Cl)c1 33571180 ANZLJBOBWUYXFV-UHFFFAOYSA-N 400.649 3.340 0 40 HGAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cccn3-c3ccccc3C)C2=O)o1 33620843 LMIZVXVSZDOANI-ATVHPVEESA-N 405.410 3.258 0 40 HGAB O=C(O)[C@H]1[C@H]2C=C[C@H](CC2)[C@H]1C(=O)NCCCn1nc(C(F)(F)F)cc1C1CC1 35898153 RGAGQKMRRLTDJO-GFOFROLCSA-N 411.424 3.199 0 40 HGAB O=C(Nc1nnc(Cc2ccc(F)cc2)s1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 36354621 XSYLOZSSAURWEX-ZDUSSCGKSA-N 414.437 3.399 0 40 HGAB COc1cc([C@@H]2CC(O)=Nc3nc(N4CCOCC4)sc32)cc(OC)c1OC 36360085 WFDMGIAXRYISSZ-LBPRGKRZSA-N 405.476 3.129 0 40 HGAB O=C(COC(=O)c1ccc(N2C(=O)CCC2=O)cc1)Nc1ccccc1C(F)(F)F 39477103 CXXTYFZEMPXXTP-UHFFFAOYSA-N 420.343 3.154 0 40 HGAB CCN(CC(=O)Nc1cc(OC)ccc1OC)S(=O)(=O)c1ccc(Cl)cc1 39986853 IUJBXGREHWNDDA-UHFFFAOYSA-N 412.895 3.007 0 40 HGAB O=C(NCCNc1ccc(C(F)(F)F)cn1)c1cccc(Nc2ncccn2)c1 40080801 QFFMFDHOEODQQV-UHFFFAOYSA-N 402.380 3.476 0 40 HGAB Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(Nc4ccccc4)[nH]c(=O)c32)c(C)c1 40399171 BBWHGYGMCCJEBJ-OAHLLOKOSA-N 403.442 3.195 0 40 HGAB CC1=C[C@]2(Nc3cc(-c4ccccc4)cc(Br)c3O2)C(C(N)=O)=C(N)O1 40546326 DQVIARHUKIQDNX-LJQANCHMSA-N 414.259 3.206 0 40 HGAB CCCn1c(C)ccc(-c2noc(CCC(=O)N[C@@H](C)c3ccc(OC)cc3)n2)c1=O 46020536 ZFJCYQVFBVWGLZ-INIZCTEOSA-N 424.501 3.435 0 40 HGAB Cc1ccc(O)c(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)c1 48231764 UBMKQAJMULORAT-UHFFFAOYSA-N 416.421 3.357 0 40 HGAB CCOc1c(Cl)cc(C(=O)N2CCC(C(=O)Nc3nncs3)CC2)cc1OC 48312142 DWWGTGVRVVOUCD-UHFFFAOYSA-N 424.910 3.090 0 40 HGAB C[C@H](C(=O)N1CCCCC1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 48811577 PTUMNGXYLUPYOQ-CYBMUJFWSA-N 404.864 3.277 0 40 HGAB O=C(CN1CCC[C@H]1c1ccc(F)cc1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 55528390 ZLNTZJPQAUEIMN-IBGZPJMESA-N 412.465 3.220 0 40 HGAB Cc1cc(Cl)c(C)c(S(=O)(=O)NC2CCN(c3ncccn3)CC2)c1Cl 56059009 FSUGGWYPEHWFGE-UHFFFAOYSA-N 415.346 3.348 0 40 HGAB CCCCNC(=O)CSc1nc2ccsc2c(=O)n1-c1ccccc1OC 57487597 QFJAHDLERPFFRS-UHFFFAOYSA-N 403.529 3.464 0 40 HGAB COc1ccccc1NC(=O)[C@H](C)N1CCC(c2nc(-c3ccccn3)no2)CC1 58305413 NEDBFUIGVSDYFU-HNNXBMFYSA-N 407.474 3.347 0 40 HGAB O=C(CNc1cccc(-c2ccc(Cl)c(Cl)c2)c1)N[C@H]1CCS(=O)(=O)C1 71818411 PSCPDDVRJGIUSW-HNNXBMFYSA-N 413.326 3.376 0 40 HGAB CC(C)[S@](=O)c1ccc(C(=O)NC[C@@H](C)N2CCN(c3ccccc3)CC2)cc1 72294488 HUVTZKQGQVGQKT-SONOPUAISA-N 413.587 3.143 0 40 HGAB O=C(c1sc2ccccc2c1[C@@H]1CN(Cc2ccncc2)CCO1)N1CCOCC1 72354984 AOGODYYTYNKMLF-IBGZPJMESA-N 423.538 3.342 0 40 HGAB CC(C)c1ccc(NC(=O)N2CCC[C@H](c3n[nH]cc3NS(C)(=O)=O)C2)cc1 95998968 APNBOFMPWAPTON-HNNXBMFYSA-N 405.524 3.316 0 40 HGAB CC(C)CNC[C@H]1O[C@H](Cc2cc(CN(C)Cc3ccccc3)on2)CC[C@@H]1O 96268987 BNWCCMPGPZTKTM-ACIOBRDBSA-N 401.551 3.003 0 40 HGAB biogenic,in-vitro COc1cc(C2=N/C(=C/c3ccc(OCC(=O)O)cc3)C(=O)O2)ccc1OC(F)F 96635180 ZPNAMBQYYJEJCG-RIYZIHGNSA-N 419.336 3.105 0 40 HGAB Cc1cc(-c2cnc(N3C[C@@H]4C[C@@H](C3)c3cccc(=O)n3C4)nc2-c2ccco2)on1 100176722 REEKIYDADKSWIO-HOTGVXAUSA-N 415.453 3.485 0 40 HGAB C[C@@H](Nc1ccc(C(=O)O)cc1S(=O)(=O)NC[C@@H]1CCCO1)c1ccccc1 217499302 ITSHCVYAQTWCPG-PBHICJAKSA-N 404.488 3.015 0 40 HGAB CS(=O)(=O)N(CCCC(=O)Nc1ccc(Cl)cc1)c1ccc2c(c1)OCCO2 222669866 WZZVFEZEULSKAR-UHFFFAOYSA-N 424.906 3.296 0 40 HGAB C[C@@H](C(=O)NCc1ccc2ccccc2c1)N(c1ccc(F)cc1)S(C)(=O)=O 222773908 UYMXZTHUJZNIDC-HNNXBMFYSA-N 400.475 3.450 0 40 HGAB Cc1ccc(S(=O)(=O)N(CC(=O)NCCOc2ccccc2)c2ccccc2)cc1 223539243 IMLGZNSSWRHCJA-UHFFFAOYSA-N 424.522 3.386 0 40 HGAB CCN(c1ccc(C(=O)Nc2nnc(SC(C)C)s2)cc1)S(C)(=O)=O 224427771 GXLYDKQMUPRVOO-UHFFFAOYSA-N 400.551 3.077 0 40 HGAB Cc1nn(-c2ccccn2)c(C)c1CCNS(=O)(=O)c1ccc(F)c(Cl)c1 225583599 YEUGKDXWKNYUAZ-UHFFFAOYSA-N 408.886 3.198 0 40 HGAB O=C1[C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@H]2C(=O)N1c1ccc2ccccc2c1 247714414 MKPIBSLBSTYPPT-AVJFOWIRSA-N 423.472 3.271 0 40 HGAB COc1ccc(-c2ccc3c([C@H]4CN(C(=O)c5ccco5)CCO4)nnn3c2)cc1 306124937 CCPISJOOHYWZMN-HXUWFJFHSA-N 404.426 3.212 0 40 HGAB O=C(COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1Cl)N1CCCC1 408588557 GSPIYCOCVBRBBP-UHFFFAOYSA-N 412.870 3.281 0 40 HGAB CCN(CC)C(=O)Nc1ccc(S(=O)(=O)Nc2cc(OC)ccc2OC)cc1 408590025 IRDFNVLSUFQPOP-UHFFFAOYSA-N 407.492 3.378 0 40 HGAB Cc1nc2ccc(NC(=O)[C@@H](c3ccc(Cl)cc3Cl)N3CCOCC3)cn2n1 507168475 CYWHISMCBPQVNR-GOSISDBHSA-N 420.300 3.357 0 40 HGAB NC(=O)C[C@H](NC(=O)c1cnn(-c2ccccc2F)c1-n1cccc1)c1ccccc1 512466889 ZHERUHHMFAENSO-IBGZPJMESA-N 417.444 3.149 0 40 HGAB COc1cc(S(=O)(=O)N2CC[C@@H](Cc3ccccc3)C2)c(Cl)cc1C(=O)O 545561127 VDUXEVOWMSUHDL-AWEZNQCLSA-N 409.891 3.300 0 40 HGAB CS(=O)(=O)N1CCC[C@@H](c2nnc3sc(/C=C/c4ccccc4Cl)nn23)C1 1501040237 HPRHJHKDIWVMPG-MMQHEFTJSA-N 423.951 3.149 0 40 HGAB CC(=O)N1CC2=C(C1=O)[C@@H](c1ccc3c(c1)OCCO3)c1c[nH]c3cccc(c13)N2 1547138487 MIPDVHJPKXMHSW-FQEVSTJZSA-N 401.422 3.139 0 40 HGAB biogenic O=C(O)CN(Cc1cccc(F)c1)C(=O)Cn1c(C(F)(F)F)nc2ccccc21 2037872799 VPCZUXVVIJYLHE-UHFFFAOYSA-N 409.339 3.308 0 40 HGAB Cc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)N2CCOCC2)cc1 888277 JORHFYNRDKGHSB-UHFFFAOYSA-N 408.527 3.117 0 40 HGAB Cc1cc(C)c(C)c(S(=O)(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)O)c1C 938802 XKRPVXCCINRLOM-LJQANCHMSA-N 400.500 3.376 0 40 HGAB CCOC(=O)c1c(C)nn(-c2ccc(NC(=S)NC(=O)c3ccccc3)cn2)c1C 1390081 VTSHSMQSNSDDAY-UHFFFAOYSA-N 423.498 3.188 0 40 HGAB COc1cccc(-c2nnc(SCC(=O)Nc3cccc(Cl)c3C)n2N)c1 2397662 PLLOMWPVRVLOGJ-UHFFFAOYSA-N 403.895 3.360 0 40 HGAB O=C(Nc1ccc(Oc2ccc(Br)cc2)cc1)c1cc(=O)[nH]c(O)n1 2620797 WDYBUDTVBCZMBE-UHFFFAOYSA-N 402.204 3.283 0 40 HGAB CC[C@H](C)c1ccc(-n2c(=O)c3ccccc3n3c(SCC(=O)NC)nnc23)cc1 2652073 LMSKHAQBQIRJTH-AWEZNQCLSA-N 421.526 3.385 0 40 HGAB CCOC(=O)C(=O)Nc1cc(OCC)c(NC(=O)c2cccc(F)c2)cc1OCC 4187789 ZFBPCYWPPLNZTM-UHFFFAOYSA-N 418.421 3.377 0 40 HGAB COCC(=O)N1c2ncnn2[C@H](c2ccc(OC)cc2)C[C@@H]1c1ccc(OC)cc1 4816817 GBKCTHNWPHOXND-UXHICEINSA-N 408.458 3.009 0 40 HGAB CCCCOC(=O)CC[C@@H](Nc1nc(Cl)nc(Cl)n1)C(=O)OCCCC 5552550 DXSAAUBMWACDGC-LLVKDONJSA-N 407.298 3.426 0 40 HGAB Cc1occc1-c1nnc(S[C@H](C)C(=O)c2ccc(NS(C)(=O)=O)cc2)o1 7026472 NXTPJLWZXZFUCM-LLVKDONJSA-N 407.473 3.373 0 40 HGAB COc1ccc(CN(C)C(=O)CN(c2ccc(C)c(Cl)c2)S(C)(=O)=O)cc1 7871816 PRPZVGHVZFGIGX-UHFFFAOYSA-N 410.923 3.082 0 40 HGAB COc1ccc(N2C(=O)CC[C@@H](C(=O)NC3=NCCS3)[C@@H]2c2ccccc2)cc1 7986884 JTVGMGJYYXJIIX-QUCCMNQESA-N 409.511 3.399 0 40 HGAB CC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)Nc2ccc(Cl)cc2)cc1 8416790 YBKIHLZAEPTLCX-UHFFFAOYSA-N 402.834 3.443 0 40 HGAB CCOC(=O)[C@H]1[C@@H](c2cccc(Oc3ccccc3)c2)NC(=O)N[C@]1(O)C(F)(F)F 8432897 CCXMQQIZYMCWSJ-GPMSIDNRSA-N 424.375 3.263 0 40 HGAB COc1cc(OC)cc(C(=O)Nc2cc3c(cc2N2CCCCC2)n(C)c(=O)n3C)c1 8594570 DROUWXRSTWTLNJ-UHFFFAOYSA-N 424.501 3.137 0 40 HGAB Cc1ccc(S(=O)(=O)[C@H](CNC(=O)c2ccc3c(c2)OCO3)c2cccnc2)cc1 8717999 USNOTLCGWNMDHJ-OAQYLSRUSA-N 424.478 3.064 0 40 HGAB CNC(=O)NC(=O)[C@H](C)Sc1nnc(-c2cccnc2)n1[C@@H]1CCCC[C@H]1C 8886692 JRHBKHOLHOKXMV-VNHYZAJKSA-N 402.524 3.028 0 40 HGAB O=C(CN1C(=O)NC2(CCCC2)C1=O)Nc1nc(-c2c[nH]c3ccccc23)cs1 9579069 DLMZTBISMWXXAO-UHFFFAOYSA-N 409.471 3.095 0 40 HGAB COc1ccc(-c2n[nH]c(SCC(=O)N3c4ccccc4NC(=O)C[C@H]3C)n2)cc1 9647635 MPRLWGNONHRSFH-CYBMUJFWSA-N 423.498 3.336 0 40 HGAB Cc1[nH]c2ccc(C(=O)N3CCC(NS(=O)(=O)c4ccccc4)CC3)cc2c1C 10374873 MNBXICVJSCVVIJ-UHFFFAOYSA-N 411.527 3.368 0 40 HGAB O=C(CSc1ccc(NC(=O)c2cccc(F)c2)nn1)NCCc1ccccc1 11737937 YFXAZTCCFFTUHI-UHFFFAOYSA-N 410.474 3.319 0 40 HGAB COc1ccccc1CC(=O)N1CCC(n2nc(-c3cccs3)ccc2=O)CC1 12129326 SPFOSPZUMPJQIU-UHFFFAOYSA-N 409.511 3.387 0 40 HGAB CC(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCN(C(=O)c4cncnc4)C3)cc2N1 12182449 OBFFTNARXCYFTE-IVMMDQJWSA-N 408.428 3.246 0 40 HGAB CC(C)c1cc(C(F)(F)F)n2nc([C@@H]3CCCN3C(=O)Cn3cccn3)cc2n1 12220394 ANOMTBZAOASKIE-HNNXBMFYSA-N 406.412 3.432 0 40 HGAB CCCCc1ccc(C(=O)NCc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)cc1 12321579 RWHSKWMFSVVJNH-UHFFFAOYSA-N 401.470 3.381 0 40 HGAB CCOc1ccc(OCC)c(NCC(=O)N2CCN(c3ccc(F)cc3)CC2)c1 12532895 BXAAAOINBOZSRF-UHFFFAOYSA-N 401.482 3.384 0 40 HGAB Cc1ccc(N2C(=O)C(=O)N(CC(=O)N3CC[C@H](C)Sc4ccccc43)C2=O)cc1 12787008 JBXOINLESCGGRO-HNNXBMFYSA-N 423.494 3.208 0 40 HGAB CCc1ccc([C@H](C)NC(=O)CN2CCN(c3cc(C)nc(C(C)C)n3)CC2)cc1 12792175 XRVXSSOHUAXTRD-IBGZPJMESA-N 409.578 3.470 0 40 HGAB CC[C@@H]1c2ccsc2CCN1C(=O)CNC(=O)c1cc(OC)c(OC)c(OC)c1 12943196 DLVTXBLVGRCSLC-OAHLLOKOSA-N 418.515 3.040 0 40 HGAB COc1cc(OC)cc(C(=O)Nn2c(Cc3cccs3)nc3ccccc3c2=O)c1 13084197 WDBREESPMWOLNE-UHFFFAOYSA-N 421.478 3.450 0 40 HGAB CCc1cccc(CC)c1NC(=O)[C@@H]1CN(S(=O)(=O)CC)c2ccccc2O1 13679622 KXPVPFQLGBPBGQ-IBGZPJMESA-N 402.516 3.367 0 40 HGAB O=C(Nc1ccc(CC(=O)N2CCOCC2)cc1)c1ccc(Br)cc1 13714546 XQELKXXXRAESNM-UHFFFAOYSA-N 403.276 3.103 0 40 HGAB O=C(NCCSc1ccccc1)c1ccccc1S[C@H]1CCS(=O)(=O)C1 15833491 FXQNWEFPUSVTDX-INIZCTEOSA-N 407.582 3.488 0 40 HGAB O=C(Cc1cc(=O)[nH]c(SCc2ccc(F)cc2)n1)Nc1ccc2c(c1)OCO2 16851326 JQGFELPYXZWJPC-UHFFFAOYSA-N 413.430 3.111 0 40 HGAB C[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1)c1ccncc1 17792081 ZZOHVVXZGSELQQ-MRXNPFEDSA-N 407.495 3.324 0 40 HGAB Cc1nc([C@H](Cc2c[nH]c3ccccc23)NC(=O)Cc2cccnc2)cc(N(C)C)n1 19240879 NANHPSFNOZHZEV-NRFANRHFSA-N 414.513 3.370 0 40 HGAB O=c1[nH]c(-c2cccnc2)nc2c1CCN(Cc1ccc(OC(F)(F)F)cc1)CC2 19341186 RDBCHOQYNMNQKF-UHFFFAOYSA-N 416.403 3.331 0 40 HGAB CC(C)N1CCc2nc3cc(C(=O)N[C@H](C)CCc4ccco4)ccc3c(=O)n2CC1 19448613 FAKAMZCWEIAKTG-QGZVFWFLSA-N 422.529 3.007 0 40 HGAB CN(C)C(=O)[C@@]1(Cc2ccc(-c3cccs3)cc2)CCN(C(=O)c2cnccn2)C1 19580245 VQLOCACCOTYDKX-HSZRJFAPSA-N 420.538 3.368 0 40 HGAB O=C(Cn1nnc(-c2ccccc2)n1)Nc1ccc2c(c1)CN(Cc1ccccc1)C2 19657076 HDLQHMOWGJLAET-UHFFFAOYSA-N 410.481 3.495 0 40 HGAB CCc1nc(-c2cncnc2[C@H]2CCN(C(=O)CCc3ccccc3OC)C2)no1 19693877 JZBIQIGWMWHPAC-INIZCTEOSA-N 407.474 3.046 0 40 HGAB CNc1nc([C@@H]2CCCN2C(=O)CCCc2ccccc2)nc2c1CCN(C(C)=O)C2 19707908 JRPGJKUDRKGBPB-NRFANRHFSA-N 421.545 3.109 0 40 HGAB Cc1nc(C2CCN(C(=O)C3CCN(C)CC3)CC2)ncc1C(=O)Nc1ccccc1 19765860 GYWTXARFXUOGBZ-UHFFFAOYSA-N 421.545 3.085 0 40 HGAB COc1cc2c(cc1OC)[C@H](c1cc(OC)c(OC)c(OC)c1)C1=C(COC1=O)N2 20086291 CGYIMMFMENAHSL-IBGZPJMESA-N 413.426 3.098 0 40 HGAB Cc1ccc(CC(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)cc1 20458279 JZYWFLOOEJKCTP-UHFFFAOYSA-N 410.499 3.384 0 40 HGAB CCOC(=O)[C@]1(C)C(Br)=C(O)C(=O)N1c1ccc(Br)cc1 20507141 VQQMGUCZBRHKOO-AWEZNQCLSA-N 419.069 3.282 0 40 HGAB CC(=O)Nc1ccc(N2CCn3c(nc4cc(C(=O)NCC(C)C)ccc43)C2)cc1 20737714 IJXIIQUNWHOWRG-UHFFFAOYSA-N 405.502 3.401 0 40 HGAB COc1cccc(C(=O)Nc2nn3c(-c4ccc(OC)c(OC)c4)nnc3s2)c1 20902141 ZHUDVEYBHWUGJM-UHFFFAOYSA-N 411.443 3.131 0 40 HGAB O=C1C[C@H](C(F)(F)F)N(C(=O)CSc2nc(C3CC3)n[nH]2)c2ccccc2N1 22286413 STVZUKWNRIESMC-GFCCVEGCSA-N 411.409 3.081 0 40 HGAB COc1cc2c(cc1OC)CN(Cc1nc(N)nc(Nc3ccccc3C)n1)CC2 23466397 QKOYTEVEVXXUPK-UHFFFAOYSA-N 406.490 3.081 0 40 HGAB CS(=O)(=O)NCCc1ccc(C(=O)NCC2(c3ccccc3)CCCCC2)s1 25251431 DYLLLIKOGRZPCS-UHFFFAOYSA-N 420.600 3.472 0 40 HGAB Cc1ccc(N2C(=O)C(Cl)=C(Cl)C2=O)cc1N1C(=O)C(Cl)=C(Cl)C1=O 25558300 OUBQMGQHCZWQNI-UHFFFAOYSA-N 420.035 3.120 0 40 HGAB COc1c(S(=O)(=O)Nc2ccc(OCC(=O)O)cc2)ccc(Cl)c1Cl 26919545 QYEJSOHRESZTQW-UHFFFAOYSA-N 406.243 3.266 0 40 HGAB O=C(NC(=S)Nc1ccc2nn(-c3ccccc3)nc2c1)c1ccc2c(c1)OCO2 32126227 MZNWHLADBNASGH-UHFFFAOYSA-N 417.450 3.276 0 40 HGAB COc1cccc(-c2nn(Cc3ccccc3)cc2C(=O)O[C@@H]2C[C@H](C)OC2=O)c1 32736719 HFFRDRYAOCLSBT-MGPUTAFESA-N 406.438 3.468 0 40 HGAB COC(=O)c1ccc2c(O)nc3c(C(=O)NC4CCCC4)sc(=S)n3c2c1 33251418 WOMPCMOPGWEUSS-UHFFFAOYSA-N 403.485 3.443 0 40 HGAB COc1ccc(-n2ncc(C(=O)Nc3cccc4ncccc34)c2C(F)(F)F)nn1 40050037 NNGJZEYTCSNTQB-UHFFFAOYSA-N 414.347 3.490 0 40 HGAB COc1ccccc1N1C[C@H](C(=O)N[C@H](c2nc3ccccc3[nH]2)C(C)C)CC1=O 45673442 IDYMZSULGKPDBR-VFNWGFHPSA-N 406.486 3.438 0 40 HGAB Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)Nc1nc(-c2ccccc2)ns1 48373950 FWJRBFVYNMZKBH-UHFFFAOYSA-N 414.512 3.207 0 40 HGAB CS(=O)(=O)Cc1ccccc1NC(=O)Cc1csc(Cc2ccccc2)n1 58764195 UVZZZMQBSUZRMU-UHFFFAOYSA-N 400.525 3.460 0 40 HGAB CCS(=O)(=O)Nc1ccc(NC(=O)[C@@H]2CCCN2Cc2ccc(F)cc2)cc1C 72310089 LZGBXHUVJREZET-FQEVSTJZSA-N 419.522 3.499 0 40 HGAB COc1ccc(CCNC(=O)Cc2c(C)nc3c4ccccc4nn3c2C)cc1OC 79479968 UWGLUDINRQFECM-UHFFFAOYSA-N 418.497 3.418 0 40 HGAB Cc1cc(C)nc(-n2nc(C)c(CC(=O)N(C)[C@H](CCO)c3ccccc3)c2C)n1 89600709 BQXSFTUFXYJOQM-OAQYLSRUSA-N 407.518 3.021 0 40 HGAB CC(C)Cn1ccc2c(NC(=O)C[C@H]3NC(=O)c4ccccc4NC3=O)cccc21 96113992 LEQNNAQBYGYMMR-LJQANCHMSA-N 404.470 3.377 0 40 HGAB biogenic CC(C)[C@@H](C)NC(=O)c1ncn2c(C3CCN(Cc4cccnc4)CC3)ccnc12 96155703 DXOFTFHGONAYRE-QGZVFWFLSA-N 406.534 3.278 0 40 HGAB CCC(CC)NC(=O)c1ncn2c(C3CCN(Cc4cccnc4)CC3)ccnc12 96155706 OTSUZUZISFCFBP-UHFFFAOYSA-N 406.534 3.422 0 40 HGAB COc1ccc(-c2cn3c(n2)CO[C@@H](CNCc2ccc(NC(C)=O)cc2)C3)cc1 96269256 DYLONYKFWFVNNV-NRFANRHFSA-N 406.486 3.206 0 40 HGAB biogenic,in-vitro Cc1cc(C)cc(NC(=O)CN2N=N[C@H]3C(=O)N(c4ccc(C(C)C)cc4)C(=O)[C@@H]32)c1 96286234 NPFMXYGODPVCEH-NHCUHLMSSA-N 419.485 3.359 0 40 HGAB COc1ccc(S(=O)(=O)N[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1C(=O)N1CCCCCC1 100444397 ABMUKSQNQMBGAN-GPMSIDNRSA-N 406.548 3.178 0 40 HGAB Cn1c(CN2CCSCC2)cc(=O)c(O)c1CN1C[C@]2(C)C[C@@H]1CC(C)(C)C2 101362598 PCEHZJKJJZXXTI-HTAPYJJXSA-N 405.608 3.040 0 40 HGAB O=C(c1ccccc1)[C@H]1[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=NN21 104028500 XNLQKYRVCMBHDH-WBADGQHESA-N 421.456 3.448 0 40 HGAB C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)c2)C[C@@H](C)O1 108926284 VQDDBDIDHFCTEY-SAGLZJIZSA-N 408.564 3.039 0 40 HGAB Cc1c(CCC(=O)NC[C@H]2CC[C@@H](C(=O)O)CC2)c(=O)oc2cc(O)c(Cl)cc12 217465686 HZVGPXGUCCXZIQ-JOCQHMNTSA-N 421.877 3.400 0 40 HGAB CN(c1ccc(C(=O)NCCSCc2ccccc2)c(Cl)c1)S(C)(=O)=O 222510655 UIMGNIHECINCRX-UHFFFAOYSA-N 412.964 3.399 0 40 HGAB CC(C)NC(=O)c1ccccc1NC(=O)c1ccc(N2CCCCS2(=O)=O)cc1 222581628 GFMWRXZWZBVHEI-UHFFFAOYSA-N 415.515 3.007 0 40 HGAB CC(C)NS(=O)(=O)c1ccc(OCC(=O)NCc2cccc3ccccc23)cc1 222631085 USOWGLGFIIGPSX-UHFFFAOYSA-N 412.511 3.222 0 40 HGAB CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N1CCCc2ccccc21 222658865 PJNRSTQIXLKBPX-HXUWFJFHSA-N 402.516 3.219 0 40 HGAB CN(C)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(Br)s1 223253750 FWIDIAQASONVME-LSDHHAIUSA-N 411.394 3.440 0 40 HGAB COc1ccc(OC)c(S(=O)(=O)N(C)Cc2nc(-c3ccccc3Cl)no2)c1 223779950 DXLDFJNDCOSDHC-UHFFFAOYSA-N 423.878 3.228 0 40 HGAB CC(=O)Nc1nnc(S(=O)(=O)N[C@@H]2CC3(CCCCC3)Oc3ccccc32)s1 224142341 WEXMYNUDZCEDQK-CQSZACIVSA-N 422.532 3.002 0 40 HGAB CCSc1nnc(NC(=O)[C@@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)s1 225634655 BCSKRZPMSQSBSJ-SECBINFHSA-N 420.969 3.097 0 40 HGAB COc1ccc(CC(=O)NCc2nnc3ccc(-c4cccs4)nn23)cc1Cl 225764207 KWJACHBPOMURRF-UHFFFAOYSA-N 413.890 3.374 0 40 HGAB CCN(CC)S(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2Cl)s1 225859356 NJRIMDSELZFYBM-UHFFFAOYSA-N 409.320 3.128 0 40 HGAB CCOC(=O)[C@]1(CN)[C@H](c2ccc(CC)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 242463756 DJLLEEVARYHFGM-SFHLNBCPSA-N 421.946 3.350 0 40 HGAB CCc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCCC[C@H]4C)nc(O)c32)cc1 253566674 JFEZAJHHMSNVMM-CZUORRHYSA-N 409.490 3.188 0 40 HGAB C[C@H]1C[C@@H](C)CN(c2cc(C(F)(F)F)nc(NC(=S)NC[C@H]3CCCO3)n2)C1 260715064 LRMACFDQZBIZHG-FRRDWIJNSA-N 417.501 3.443 0 40 HGAB COc1cc(N2CCCC[C@H]2C)nc(NC(=S)NCc2ccc3c(c2)OCO3)n1 260715174 MHEJUAFWYITNBG-CYBMUJFWSA-N 415.519 3.079 0 40 HGAB Cc1occc1C(=O)N1Cc2cn(C(C)C)nc2C2(CCN(C(=O)N(C)C)CC2)C1 306123769 AWCYZQRGRRIFBU-UHFFFAOYSA-N 413.522 3.037 0 40 HGAB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N1CCCC1)c1cc(C)cc(C)c1 409393497 XDNQQMCLODRGCY-UHFFFAOYSA-N 416.543 3.438 0 40 HGAB CS(=O)(=O)N(CC(=O)NCc1ccncc1)c1cc(Cl)c(Cl)cc1Cl 409410814 QJWWAYRVWJKUAT-UHFFFAOYSA-N 422.721 3.124 0 40 HGAB C[C@@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)Nc2cccc3c2OCO3)c1 542967841 FCAKYYKVMIDAEY-CQSZACIVSA-N 402.472 3.231 0 40 HGAB CCC(=O)N1CC[C@H]2CCC[C@@H](CN(C(C)C)Cc3ccccc31)N2C(=O)COC 643579731 IRBQKBYLGLHMKU-RTWAWAEBSA-N 415.578 3.440 0 40 HGAB CCOc1cc(C(N)=O)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1 675031595 UKJGTZKMGXHKME-UHFFFAOYSA-N 414.277 3.023 0 40 HGAB C[C@@H]1CCc2c(sc3nc(CN4CC[C@]5(C4)C(=O)Nc4ccccc45)nc(N)c23)C1 681699363 SRIXZGOIQHDFSM-JCQPUDPBSA-N 419.554 3.494 0 40 HGAB CCc1ccc(C(=O)N2CCCn3ncc(C(=O)Nc4ccc(OC)cc4)c3C2)cn1 1565556690 QSIOQXYXTKWMBX-UHFFFAOYSA-N 419.485 3.148 0 40 HGAB CCOc1ccc(NC(=S)N(CCO)Cc2cc3ccc(C)cc3[nH]c2=O)cc1 1224179 AVFZWLWQIHPDAE-UHFFFAOYSA-N 411.527 3.427 0 40 HGAB O=C1O[C@@H](Nc2ccc(S(=O)(=O)Nc3ccc(Cl)nn3)cc2)c2ccccc21 1408077 KJRYWXJYNHHNBT-QGZVFWFLSA-N 416.846 3.212 0 40 HGAB CN(C)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)CCc2ccccc2-3)cc1 1518339 YDKAELUDIXQGRU-UHFFFAOYSA-N 413.524 3.411 0 40 HGAB O=C(CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O)Nc1ccc(F)c(Cl)c1 2628424 UIGVCZNVTQPSPN-QGZVFWFLSA-N 414.824 3.062 0 40 HGAB Cc1cc(C)c(C)c(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)NC2CC2)c1C 2632808 ZNUHJRKQKLSTRN-OAQYLSRUSA-N 412.555 3.314 0 40 HGAB Cc1cc(C)cc(N2CCn3c2nc2c3c(=O)n(Cc3ccccc3C)c(=O)n2C)c1 3015977 KFDZYARWXKTWIW-UHFFFAOYSA-N 415.497 3.022 0 40 HGAB Cc1nc(NCCc2ccc(S(N)(=O)=O)cc2)c2c3c(sc2n1)CCCC3 3279389 SKXJESNDTHONIW-UHFFFAOYSA-N 402.545 3.181 0 40 HGAB C[C@H]1CCC[C@H](C)N1NC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 3302078 FJEKKUVGGZMIFE-IRXDYDNUSA-N 413.543 3.346 0 40 HGAB Cc1cc(C)n2nc(SCC(=O)Nc3c(C)nn(-c4ccccc4)c3C)nc2n1 3405473 HAIWKYFXAUNEBW-UHFFFAOYSA-N 407.503 3.274 0 40 HGAB CC(=O)Oc1ccc([C@@H]2C(C(=O)OCC(C)C)=C(C)N=C3S[C@H](C)C(=O)N32)cc1 3636588 JSTXEHLUSNBSNQ-FZKQIMNGSA-N 416.499 3.460 0 40 HGAB O=C1N[C@@H]2CCN(C(=O)c3ccc4ccccc4c3)[C@@H]2C(=O)N1c1ccc(F)cc1 4278011 MEKZLBVBXZZJGI-UXHICEINSA-N 403.413 3.318 0 40 HGAB biogenic,in-vitro Cc1ccc(C)c(N2CCN(S(=O)(=O)C[C@]34CC[C@H](CC3=O)C4(C)C)CC2)c1 4661334 DJYBGPZXBLFKCU-XMSQKQJNSA-N 404.576 3.151 0 40 HGAB Cc1ccc([C@@H](C(=O)NC(C)(C)C)N(C[C@@H]2CCCO2)C(=O)c2csnn2)cc1 4965263 JKHPWLWIUDJMAS-WMZOPIPTSA-N 416.547 3.124 0 40 HGAB COc1cc(C(=O)N2CCC(n3nnc4cc(F)ccc43)CC2)cc(OC)c1OC 5016803 KMGRDCXOUBEIBS-UHFFFAOYSA-N 414.437 3.074 0 40 HGAB CCN(CC)C(=O)Cn1cc(C(=O)C(=O)N2CCc3ccccc32)c2ccccc21 5086973 CHMGMFPHXXQJBB-UHFFFAOYSA-N 403.482 3.282 0 40 HGAB COc1ccc2c(CN3C(=O)N[C@]4(CCCc5sccc54)C3=O)cc(=O)oc2c1 5679960 UVVGHRPFKQFNDB-NRFANRHFSA-N 410.451 3.147 0 40 HGAB CC(C)c1ccc([C@]2(C)NC(=O)N(CC(=O)NCCc3ccc(F)cc3)C2=O)cc1 5798045 SURUUSVMORGGAZ-QHCPKHFHSA-N 411.477 3.075 0 40 HGAB Cc1ccc(S(=O)(=O)N(CCCc2c(C)nc(N)nc2N)c2ccccc2)cc1 6009370 XYRUYFPPRLOTIN-UHFFFAOYSA-N 411.531 3.086 0 40 HGAB CCN(CC(=O)Nc1ccccc1Br)S(=O)(=O)c1ccc(C)cc1 6205052 MDBCGLXDDJTSJP-UHFFFAOYSA-N 411.321 3.407 0 40 HGAB O=C(Cn1nnc2ccccc2c1=O)N(CCc1ccccc1)Cc1cccs1 7763985 YKUCZKICVOOFLP-UHFFFAOYSA-N 404.495 3.125 0 40 HGAB CCOC(=O)c1sc(NC(=O)[C@H](NC(=O)c2ccc(OC)cc2)C(C)C)nc1C 7813963 USTYQOBJZCCARQ-OAHLLOKOSA-N 419.503 3.030 0 40 HGAB CC(=O)N(c1nc(COC(=O)CN2CCSC2=O)cs1)c1ccccc1F 7881024 QOKCNWLWYBOETA-UHFFFAOYSA-N 409.464 3.179 0 40 HGAB Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)Cc1csc(N2CCCC2=O)n1 8388915 MKKRZSMFSIFOFH-UHFFFAOYSA-N 423.542 3.274 0 40 HGAB Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCC(N)=O)c(Br)c1 8571286 HUCOYCMEUOBXIS-RIYZIHGNSA-N 414.259 3.167 0 40 HGAB COc1ccc2c(c1)[C@H]1NC(=S)N[C@@](C)(O2)[C@H]1C(=O)Nc1ccc(Cl)cc1 8682933 LJOHCHIDMKAQGY-MDZRGWNJSA-N 403.891 3.231 0 40 HGAB Cc1c(C)c(C)c(S(=O)(=O)Nc2ccc(N3CCN(C)CC3)nc2)c(C)c1C 8705466 RCDTYCRMUPWPNK-UHFFFAOYSA-N 402.564 3.176 0 40 HGAB Cc1ccc(N2C(=O)N(c3cccc(Br)c3)[C@H]3CS(=O)(=O)C[C@@H]32)cc1 8768091 AYTKOZVGSFIUCA-IRXDYDNUSA-N 421.316 3.370 0 40 HGAB Cc1nc2c(=O)n(CC(=O)N3CCc4ccccc43)nc(-c3ccccc3)c2s1 8954971 FQRFVNSZGGMWOD-UHFFFAOYSA-N 402.479 3.418 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)CNc2cc(F)cc(F)c2)c1 9454443 GZSVROSZFZOPOY-UHFFFAOYSA-N 411.474 3.354 0 40 HGAB c1cnc2nc(SCc3ccc(CSc4nc5ncccn5n4)cc3)nn2c1 9582406 CKLGAFVNWRPCOP-UHFFFAOYSA-N 406.500 3.147 0 40 HGAB C[C@H](Sc1nnc(COc2ccc(Cl)cc2)n1N)C(=O)Nc1ccc(F)cc1 9645294 RMGUBMSFTGPRQN-NSHDSACASA-N 421.885 3.483 0 40 HGAB COc1ccc(NC(=O)[C@@H](OC(=O)c2nccnc2N)c2ccccc2)cc1Cl 11291353 DVLPWRPMOVGHHC-KRWDZBQOSA-N 412.833 3.258 0 40 HGAB COC(=O)C1=C(C)N(c2cccc(Br)c2)C(=S)N[C@H]1c1cnn(C)c1 11561610 ZTKCQGWIEKPTOR-HNNXBMFYSA-N 421.320 3.065 0 40 HGAB CC(=O)N1Cc2ccccc2O[C@]2(CCCN(C(=O)CCCn3nc(C)cc3C)C2)C1 12087162 QUGVQTFOHJKTPR-DEOSSOPVSA-N 424.545 3.082 0 40 HGAB Cc1nn(-c2ccc(F)cc2)c2[nH]c(=O)c(CNC[C@@H]3Cc4ccccc4O3)cc12 12186193 KDCSJSDHTWCQRG-IBGZPJMESA-N 404.445 3.255 0 40 HGAB O=C(c1ccc(F)cc1)N1CCC(C(=O)N2CCc3ncc(Cl)cc3C2)CC1 12186658 PGQFLWNYIYNUGJ-UHFFFAOYSA-N 401.869 3.311 0 40 HGAB CCOc1cccc([C@H]2NC(=O)N[C@](O)(C(F)(F)F)[C@@H]2C(=O)c2cccs2)c1 12291703 KDDJLVLQCHVUNJ-JJRVBVJISA-N 414.405 3.251 0 40 HGAB COc1ccc(-c2cc(CNC(=O)c3cc(=O)c4ccccc4o3)no2)cc1OC 12639146 MQEVXAWTIIJTGE-UHFFFAOYSA-N 406.394 3.395 0 40 HGAB CC(C)NS(=O)(=O)c1ccc(NC(=O)C2=Cc3cc(Cl)ccc3OC2)cc1 12897315 YYRSEWQTEPIIGP-UHFFFAOYSA-N 406.891 3.441 0 40 HGAB Cc1nc2nc(N)nn2c(C)c1CCC(=O)N(C)Cc1ccc(Cl)cc1Cl 12916564 QAAVSDIXQJKYHV-UHFFFAOYSA-N 407.305 3.221 0 40 HGAB C[C@H]1C[C@@H]1C(=O)NCC(=O)NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 12925809 FMTNVOTYOUHJHV-YWZLYKJASA-N 406.461 3.067 0 40 HGAB C[C@H]1CN(C(=O)CSc2nnc(-c3c[nH]c4ccccc34)n2C2CC2)C[C@@H](C)O1 13114749 CBTLWJAWZHXEIU-OKILXGFUSA-N 411.531 3.489 0 40 HGAB O=C(CN1C(=O)S/C(=C\c2ccc(Br)o2)C1=O)N1CCCCCC1 13148199 VJOYFNPROMMGJV-XFXZXTDPSA-N 413.293 3.481 0 40 HGAB C[C@@H](NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)c1ccccc1Br 15686781 OHDPGBMTCBTGJN-SECBINFHSA-N 417.712 3.241 0 40 HGAB Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)OCc2ccc(C(F)(F)F)cc2)cc1 16630883 ZVRYBSXZJQMDSK-ZDUSSCGKSA-N 401.406 3.424 0 40 HGAB C[C@@H](NC(=O)CNC1=NS(=O)(=O)c2ccccc21)c1ccc(-c2ccccc2)cc1 17959845 FCKKCDNCXBBAOM-MRXNPFEDSA-N 419.506 3.270 0 40 HGAB Cc1cccc2[nH]c(C(=O)N3CCC(c4n[nH]cc4C(=O)N4CCCC4)CC3)cc12 19236665 ZUEVGKCKWYGYMY-UHFFFAOYSA-N 405.502 3.455 0 40 HGAB O=S(=O)(N1CCCC1)N1CCCCC[C@H]1c1cc(-c2ccc3c(c2)OCO3)on1 19346373 XWODAGXEPYIEPJ-KRWDZBQOSA-N 419.503 3.328 0 40 HGAB COc1ncc(C(=O)N2CCC(c3cc4nc(C(F)(F)F)ccc4[nH]3)CC2)cn1 19571997 PVMRBFAVMRXJJO-UHFFFAOYSA-N 405.380 3.400 0 40 HGAB CNc1cc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)Cn2cccn2)nc(C2CC2)n1 19592105 SIOSWYDTSNAAGF-LJQANCHMSA-N 415.501 3.174 0 40 HGAB COc1ccccc1CNC(=O)c1cnc(C2CCN(C(=O)C(C)C)CC2)nc1C 19766551 SSDYVEKOTZSRGD-UHFFFAOYSA-N 410.518 3.086 0 40 HGAB O=C(C[C@H]1C(=O)N(CCCn2ccnc2)c2nc3ccccc3n21)Nc1ccccc1 19819463 YICSRVRSQWAXRZ-FQEVSTJZSA-N 414.469 3.240 0 40 HGAB C[C@H]1Cc2ccccc2N1C(=O)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1 20450658 MFCHPSQZZAEXKA-INIZCTEOSA-N 416.518 3.345 0 40 HGAB O=C(COC(=O)CCNC(=O)c1cccs1)Nc1ccc(C(F)(F)F)cc1 21537299 DMCNTZAPIZKVCA-UHFFFAOYSA-N 400.378 3.069 0 40 HGAB COc1ccc2c(c1)c(CC(=O)OCCO)c(C)n2C(=O)c1ccc(Cl)cc1 21712089 PQVLWFCTXKQEBG-UHFFFAOYSA-N 401.846 3.378 0 40 HGAB CS(=O)(=O)N(Cc1ccc(F)cc1)c1ccc(OCC(=O)N2CCCCC2)cc1 22232718 KTCVVVHLZKDGQU-UHFFFAOYSA-N 420.506 3.183 0 40 HGAB CCOC(=O)c1ccc(-n2ccc3nc4ncnn4c(-c4ccccc4)c3c2=O)cc1 22607862 NKMPZFCBVXXHBD-UHFFFAOYSA-N 411.421 3.272 0 40 HGAB c1nc(NC[C@H]([C@@H]2CCOC2)N2CCOCC2)c2c3c(sc2n1)CCCCC3 22956842 SNFWNUOFFUWDSD-NVXWUHKLSA-N 402.564 3.109 0 40 HGAB Cc1ccccc1-c1ccc(N2CCC(C(=O)Nc3ccccc3C(N)=O)CC2)nn1 23143332 WRCIMLZVGJHWMJ-UHFFFAOYSA-N 415.497 3.406 0 40 HGAB C[C@H](NC(=O)CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O)c1ccc(C(F)(F)F)cc1 23150324 YWHWNNNXTGWVEF-JMERFSKESA-N 411.424 3.383 0 40 HGAB Cc1noc2nc(C3CC3)cc(C(=O)O[C@@H](C(=O)N3CCOCC3)c3ccccc3)c12 25059922 HBVMLENZUMAPRP-HXUWFJFHSA-N 421.453 3.166 0 40 HGAB Cc1cc(=O)c(C(=O)NCC2(N(C)C)CCCCCC2)nn1-c1ccccc1F 25443693 XMKOPFHRHFHKAX-UHFFFAOYSA-N 400.498 3.064 0 40 HGAB O=c1/c(=C\c2ccc(F)cc2)sc2nc(-c3ccccc3Br)nn12 26533773 QJXNRRATLNQZJZ-NTEUORMPSA-N 402.248 3.267 0 40 HGAB Cc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3ccccc3N3CCCCC3)C2=O)cc1 27066334 ZORZFTQGIAZEQS-DEOSSOPVSA-N 420.513 3.391 0 40 HGAB Cc1cc2nc(C)c(CCC(=O)N(C)Cc3ccc(C(=O)NC4CC4)cc3)c(C)n2n1 31195070 XAAHCYYKTPEABA-UHFFFAOYSA-N 419.529 3.138 0 40 HGAB O=S(=O)(c1ccccc1Cl)N1CCN(Cc2ccc(-n3cccn3)cc2)CC1 31534301 AUAXQBBYVBAVNK-UHFFFAOYSA-N 416.934 3.032 0 40 HGAB CNS(=O)(=O)c1ccc(CNC(=O)c2ccc(-c3ccccc3F)s2)cc1 32818190 QWMHYIARROTQJR-UHFFFAOYSA-N 404.488 3.392 0 40 HGAB O=C(NCCc1cn2ccccc2n1)c1ccc(-n2cc(Br)cn2)cc1 32826791 GMHBXEJXPGRZTL-UHFFFAOYSA-N 410.275 3.255 0 40 HGAB COC(=O)c1c(CC(C)C)csc1NC(=O)Cc1nn(C)c(=O)c2ccccc12 32832946 VGDLCBLBUCFEDG-UHFFFAOYSA-N 413.499 3.161 0 40 HGAB O=C(Nc1ccccc1C(=O)NC[C@H]1CCCO1)c1ccc(OCC(F)(F)F)nc1 32885650 DZBHZABABFLAHO-CQSZACIVSA-N 423.391 3.184 0 40 HGAB CS(=O)(=O)N1CCC(Nc2ncnc3cc(-c4ccc(F)cc4)sc23)CC1 32902989 RKPFNEUGDJEZPB-UHFFFAOYSA-N 406.508 3.333 0 40 HGAB O=C1N=C(O)/C(=C/c2cc3c(cc2Br)OCO3)C(=O)N1Cc1ccco1 33663485 JOPVBHQVMVUQSE-WCIBSUBMSA-N 419.187 3.273 0 40 HGAB Cc1c(-c2ccc(F)cc2)nn2c1N=C(O)C[C@H]2C(=O)Nc1ccc(C(N)=O)cc1 35685018 WMJMZIUNXGPWGM-INIZCTEOSA-N 407.405 3.268 0 40 HGAB CCN(CC)S(=O)(=O)c1cc(C(=O)N2c3ccccc3C[C@@H]2C)ccc1OC 36697958 XBIRKXOCUJMBSR-HNNXBMFYSA-N 402.516 3.317 0 40 HGAB CCOC(=O)C1=C(CN2CCCc3cc(F)cc(F)c32)NC(=O)N[C@@H]1c1ccco1 36754220 NOMCQGSMBLIFSR-GOSISDBHSA-N 417.412 3.182 0 40 HGAB COc1ccc(N([C@H](C)C(=O)N(C)Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1 38771187 OWEGDVRTOUDMSW-CQSZACIVSA-N 410.923 3.162 0 40 HGAB Cc1cc(C)n(-c2ccc(NC(=O)c3ccc(N4C[C@H](C)O[C@@H](C)C4)nc3)cn2)n1 40088977 UADYTVUOJOADLY-IRXDYDNUSA-N 406.490 3.145 0 40 HGAB Cc1cc(N(C)C)ccc1NC(=O)CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C 40111649 IJCGRVOHCARXRW-DEOSSOPVSA-N 420.513 3.389 0 40 HGAB O=C(c1cc(Cl)ccc1F)N1CCN(Cc2nnc(-c3ccccc3)o2)CC1 40120056 HOODMGDUODXIGP-UHFFFAOYSA-N 400.841 3.487 0 40 HGAB O=C(c1ccc(Br)cc1)c1ccccc1C(=O)n1nc2ccccn2c1=O 40157172 ZCXPRVOESDXARL-UHFFFAOYSA-N 422.238 3.178 0 40 HGAB CC(=O)Nc1ccc(OC(=O)[C@H]2CC(=O)N(c3ccc(Br)cc3)C2)cc1 42679287 RJYXTBUEVLUVSC-ZDUSSCGKSA-N 417.259 3.366 0 40 HGAB CC(C)Oc1ccc(CNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cc1 43754842 UJZSUIDSZCXSEY-UHFFFAOYSA-N 402.516 3.188 0 40 HGAB COc1ccc(OCCC(=O)NCc2ccc(CN3C[C@H](C)O[C@H](C)C3)cc2)cc1 47539406 RQYZXGHTRKOAIL-KDURUIRLSA-N 412.530 3.390 0 40 HGAB CCOC(=O)c1ccccc1NC(=O)Cn1c(-c2ccc(F)cc2)nc(CC)cc1=O 57508648 ZLGJWDWJRZRLHH-UHFFFAOYSA-N 423.444 3.427 0 40 HGAB Cc1ccc2[nH]c(=O)c(CN(Cc3nnnn3C3CCCC3)C[C@@H]3CCCO3)cc2c1 57606898 CDEYTPWXXFMKEB-FQEVSTJZSA-N 422.533 3.119 0 40 HGAB Cc1ccc(NC(=O)Cn2c(-c3cccc(F)c3)nc(C)c(CCO)c2=O)c(C)c1 67316759 UUVJBZBRXIIDPV-UHFFFAOYSA-N 409.461 3.148 0 40 HGAB O=S(=O)(NC[C@](O)(c1ccccc1)C1CC1)c1ccc(Br)s1 70968289 WGUMKQNIJJVMAK-HNNXBMFYSA-N 402.335 3.087 0 40 HGAB COc1cc(CN2CCCC[C@H]3CN(C(=O)C4CCC4)C[C@H]32)cc(OC)c1OC 72330634 ISEGNLLAELZSDT-RBUKOAKNSA-N 402.535 3.325 0 40 HGAB CN(C)C(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CN(C(=O)CC(C)(C)C)CCO1 72389028 BLLZIDPDOVNOQB-RUZDIDTESA-N 423.557 3.413 0 40 HGAB CC(=O)Nc1ccc(CN2CCC[C@@H](c3cc(=O)[nH]c(-c4cccnc4)n3)C2)cc1 72393093 UQCOTVNRPGBILS-LJQANCHMSA-N 403.486 3.170 0 40 HGAB CC(C)(C)CC(=O)NC[C@H]1OC[C@@H](N(Cc2cccs2)Cc2cccs2)[C@@H]1O 77263760 ROUHLVXVVUKOIE-GGPKGHCWSA-N 422.616 3.493 0 40 HGAB biogenic,in-vitro O=C(N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21)c1ccc(S(=O)(=O)Nc2ccncc2)cc1 89858180 JLLAFYWNEHASGN-BHIFYINESA-N 419.506 3.341 0 40 HGAB O=C(N[C@H](CC(=O)N1CCC(n2ccnn2)CC1)c1ccccc1)c1ccccc1 95431509 JDVQDJBGHICADK-OAQYLSRUSA-N 403.486 3.003 0 40 HGAB O=C(c1ccccc1)N1CC[C@@H]2CN(Cc3ccc(Cl)cc3)S(=O)(=O)[C@@H]2CC1 96145405 CANUUHBRCATUHG-UYAOXDASSA-N 418.946 3.406 0 40 HGAB COc1ccc(CCC(=O)NCCN2C(=O)S/C(=C/c3ccccc3)C2=O)cc1 96585719 LWFSBUGGIWZVSF-XDJHFCHBSA-N 410.495 3.481 0 40 HGAB CC(=O)N1CCc2nc3cc([C@@H]4CCCCN4Cc4ccccc4)nn3c(O)c2C1 100242858 GBSAIHGRRDQLHN-NRFANRHFSA-N 405.502 3.067 0 40 HGAB CC(=O)N1CCc2ccccc2[C@@H]1c1c(O)[nH]c(=S)n(-c2ccccc2C)c1=O 100925369 GCBKXCUUYWWXEB-LJQANCHMSA-N 407.495 3.403 0 40 HGAB COc1ccc(CCNC(=O)C(=O)Nc2ccc(C)cc2Br)cc1OC 170338479 PXENKCRRNPEGGA-UHFFFAOYSA-N 421.291 3.072 0 40 HGAB Cc1cccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)c2)c1 211207243 HPBYUXFKKXTNOT-PMACEKPBSA-N 418.449 3.246 0 40 HGAB CC[C@H](NC(=O)CN(c1cccc(OC)c1)S(C)(=O)=O)c1ccc(OC)c(C)c1 223246488 SYJCLGDOJNOWSR-IBGZPJMESA-N 420.531 3.046 0 40 HGAB CCc1ccc(OCCNC(=O)[C@H](C)N(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1 223894765 SLQKIWJNDNCRAY-SFHVURJKSA-N 418.559 3.216 0 40 HGAB Cc1ccccc1N(CCCC(=O)NCCOc1cccc(C)c1C)S(C)(=O)=O 223957457 QZHWTFFICIVZCL-UHFFFAOYSA-N 418.559 3.353 0 40 HGAB CCOCCCNC(=O)c1ccc(C)c(N(C)S(=O)(=O)c2ccc(C)cc2)c1 224309021 ZWTWCYHCVRDDPS-UHFFFAOYSA-N 404.532 3.285 0 40 HGAB Cc1cc(C)cc(N(CCCC(=O)NCCOc2ccc(F)cc2)S(C)(=O)=O)c1 224657699 BBZGCUJWMPZIRV-UHFFFAOYSA-N 422.522 3.184 0 40 HGAB CSc1nnc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)s1 224696561 FCIRRSRRDGBVDI-UHFFFAOYSA-N 406.514 3.313 0 40 HGAB CCOc1ccccc1NS(=O)(=O)c1nnc(NC(=O)c2ccc(C)cc2)s1 224773489 VPKUUXLEVRVSSM-UHFFFAOYSA-N 418.500 3.298 0 40 HGAB CC(C)n1c(=O)sc2cc(NC(=O)CN(c3ccccc3)S(C)(=O)=O)ccc21 225138312 OAEPOYSOGURVOT-UHFFFAOYSA-N 419.528 3.049 0 40 HGAB Cc1noc(C)c1C(=O)N1CCC(c2cc(C(=O)Nc3ccccc3F)[nH]n2)CC1 225562303 NXMSFTXULRDDPN-UHFFFAOYSA-N 411.437 3.426 0 40 HGAB CCCCOC(=O)c1ccc(NC(=O)c2sc(NS(C)(=O)=O)nc2C)cc1 225878947 MRDYQJNWNQJJEG-UHFFFAOYSA-N 411.505 3.032 0 40 HGAB COc1ccc(CNC(=S)Nc2nc(OC)cc(N3CCC(C)CC3)n2)cc1 225929940 GSXBMVVWYUHPKG-UHFFFAOYSA-N 401.536 3.217 0 40 HGAB COc1nc(OC)nc(N2CCC(C)(c3ncc(Cc4cccc(F)c4)o3)CC2)n1 257199632 AAFATWITAHCOGP-UHFFFAOYSA-N 413.453 3.165 0 40 HGAB Cc1nonc1CNC(=O)[C@]1(C)CCCN(C(=O)c2cc3c(Cl)cccc3[nH]2)C1 257215182 CPBVAGYMHGOQLW-HXUWFJFHSA-N 415.881 3.071 0 40 HGAB O=C(CN1C[C@H]2CCC[C@H](Cc3cnccn3)[C@H]2C1)Nc1ccc2c(c1)OCCCO2 257237875 HIPNQOGKFXBSNX-DBXWQHBBSA-N 422.529 3.167 0 40 HGAB CNC(=O)C1(Cc2ccc(-c3cccs3)cc2)CCN(C(=O)[C@@H]2CCCO2)CC1 257334018 YEEDJRIBDOBQJB-IBGZPJMESA-N 412.555 3.491 0 40 HGAB COCCCNC(=S)Nc1nc(N2CCC[C@H](C)C2)cc(N2CCC[C@@H](C)C2)n1 260735102 FPJRKAINOIAYPO-CALCHBBNSA-N 420.627 3.272 0 40 HGAB COc1ccc(F)cc1S(=O)(=O)N1CCC[C@H](C(=O)N(C)c2ccc(F)cc2)C1 260753558 ZQCNZRSGKXLOTH-AWEZNQCLSA-N 424.469 3.037 0 40 HGAB Cc1ccccc1CC(=O)N1C[C@@H](c2nccs2)[C@]2(CCN(CC(C)C)C2=O)C1 306124713 BXLSKBPVZXPSLF-CVDCTZTESA-N 411.571 3.495 0 40 HGAB Cc1ccc(-c2ccc3c([C@H]4CN(C(=O)c5ccncc5)CCN4C)nnn3c2)cc1 306131415 KDWKMMJQROYYNQ-JOCHJYFZSA-N 412.497 3.229 0 40 HGAB CC(C)NC(=O)[C@H](C)Oc1ccc(S(=O)(=O)NCc2ccccc2Cl)cc1 408591314 KZRRTSRSGCEPFE-AWEZNQCLSA-N 410.923 3.110 0 40 HGAB COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](C(=O)N2CCCCCC2)C1 408596559 WSAZWEOAHVUKDW-OAHLLOKOSA-N 414.955 3.152 0 40 HGAB COc1ccc(OC)c(NC(=O)CCCN(c2cccc(C)c2)S(C)(=O)=O)c1 408681796 SWMAGTHXJZLBAO-UHFFFAOYSA-N 406.504 3.197 0 40 HGAB Cc1cc(S(=O)(=O)NCC(C)C)ccc1OCC(=O)Nc1c(F)cccc1F 409377081 GEDAZZQZLFMPEM-UHFFFAOYSA-N 412.458 3.225 0 40 HGAB COc1ccc(C(=O)N2CC[C@@H](CC(=O)O)[C@@H](Cc3nc4ccccc4[nH]3)C2)cc1 514289290 KWHVMJPDJPUMKE-IRXDYDNUSA-N 407.470 3.367 0 40 HGAB biogenic,in-vitro O=S1(=O)CCc2cc(CN=c3nc(-c4cc(Cl)cc(Cl)c4)[nH]o3)ccc21 531813323 ZYBFHDOUVCHJCH-UHFFFAOYSA-N 410.282 3.407 0 40 HGAB Cc1ncc2c(n1)CC[C@@H](NC(=O)N1CCO[C@@H](c3ccc(OC(F)F)cc3)C1)C2 535033561 WONHIYFCTYPEFU-VQIMIIECSA-N 418.444 3.027 0 40 HGAB CC1(C)Cc2cccc(OCC(=O)N3CCCN(C4CCSCC4)CC3)c2O1 575605299 CWLBOSGHLLVSSN-UHFFFAOYSA-N 404.576 3.209 0 40 HGAB CN1c2ccc(F)cc2N(CCNC(=O)c2ccc(C(C)(C)C)cc2)S1(=O)=O 575612955 OSGVXRUETQMLLD-UHFFFAOYSA-N 405.495 3.054 0 40 HGAB COc1cc(-c2ccc3c(c2)C2(CCOCC2)CN3C(=O)CCCNC(C)=O)ccn1 585105753 IMZAMQJYBZOFIW-UHFFFAOYSA-N 423.513 3.068 0 40 HGAB Cc1cc(OC[C@@]2(CC(N)=O)CN(C(=O)C3CCCCC3)CCO2)ccc1Cl 585286743 QOEQRNYNOIWBKV-OAQYLSRUSA-N 408.926 3.081 0 40 HGAB O=C(c1ccccc1F)N1CCCCCc2ccccc2OC[C@@H](O)[C@@H](O)CC1 1615157993 DEXLQJFDJQKDOW-LEWJYISDSA-N 401.478 3.185 0 40 HGAB Cc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)cc1 636841 PEAJZESVUGNCIA-UHFFFAOYSA-N 415.471 3.418 0 40 HGAB CCc1ccccc1NC(=O)CSc1nnc(CCNC(=O)OC(C)(C)C)o1 2207988 YRZNUHNYQSKJMT-UHFFFAOYSA-N 406.508 3.430 0 40 HGAB CC[C@H](C)C(=O)Nc1ncc2c(n1)C[C@@H](c1cc(OC)c(OC)c(OC)c1)CC2=O 2217002 RPCFHTWQSUMJDC-QWHCGFSZSA-N 413.474 3.400 0 40 HGAB CCC1(CC)NC(=O)N(CC(=O)OCC(=O)c2ccc3c(c2)-c2ccccc2C3)C1=O 3442532 ANAUTWUZVDSSDK-UHFFFAOYSA-N 420.465 3.094 0 40 HGAB COc1ccc(-c2nnc(SCn3nnc4ccccc4c3=O)n2C(C)C)cc1 3520067 CDVGWRLDCVSMJC-UHFFFAOYSA-N 408.487 3.389 0 40 HGAB CCc1ccc(CN(C(=O)COc2cc(C)cc(C)c2)[C@@H]2CCS(=O)(=O)C2)cc1 5112056 ZRHBRIMNVUKEHF-OAQYLSRUSA-N 415.555 3.461 0 40 HGAB Cc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccccc3F)C2)cc1Cl 7295816 ZKRBGAGBRAGTDK-CYBMUJFWSA-N 404.825 3.322 0 40 HGAB COc1ccccc1NC(=O)[C@H](C)OC(=O)CCc1c(C)nc(SC)nc1C 7437640 AQSPTLHRMTUBGE-AWEZNQCLSA-N 403.504 3.327 0 40 HGAB CN(C)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 7505431 LXVCTVJGWNWEMH-UHFFFAOYSA-N 409.316 3.045 0 40 HGAB O=C(CN1CCC[C@H](c2nc3ccccc3s2)C1)N1CCN(c2ccccn2)CC1 7554467 ZBWIXZCTIYQNEP-SFHVURJKSA-N 421.570 3.220 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(F)c(F)c3)C2)cc1 8077473 VLSKSLYJSVCWGR-CYBMUJFWSA-N 410.442 3.013 0 40 HGAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2nc(C)cc(C)c2C(N)=O)c1C 8428500 ATUPKWSEAWIMBR-CYBMUJFWSA-N 403.504 3.282 0 40 HGAB CCOc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3[C@H](C=C(C)C)C3(C)C)CC2)cc1 8993951 UQEHBFXHMLSYEX-PMACEKPBSA-N 420.575 3.157 0 40 HGAB O=C(NCCc1c[nH]c2ccccc12)c1ccccc1S[C@H]1CCS(=O)(=O)C1 9377521 DZNKTYNESGECHN-INIZCTEOSA-N 414.552 3.420 0 40 HGAB COc1ccc(OC)c(NC(=O)C(=O)NC[C@H](c2cccc3ccccc23)N(C)C)c1 10333459 JOBMVZHNTCAUQV-OAQYLSRUSA-N 421.497 3.215 0 40 HGAB CCn1nnc2cc(C(=O)OCC(=O)c3ccc(OC)c(Br)c3)ccc21 10854874 GOMGUJWIBJJYFF-UHFFFAOYSA-N 418.247 3.262 0 40 HGAB O=C1C[C@@H](C(=O)NCCc2cc(Cl)c3c(c2)OCCO3)c2ccc(F)cc2N1 11747651 KOSYRBYNGDKVBB-CQSZACIVSA-N 404.825 3.035 0 40 HGAB COC(=O)c1ccc(C(=O)N2CCC(c3nc4ccccc4cc3C(N)=O)CC2)cc1 12326771 GORRMRUVDDODTM-UHFFFAOYSA-N 417.465 3.140 0 40 HGAB O=C(CSc1nnnn1C1CC1)N1CCc2sccc2[C@H]1c1cccs1 12849964 RGRJNWIVFAHHLH-INIZCTEOSA-N 403.558 3.397 0 40 HGAB Cc1c(C)c2c(OCC(=O)NC[C@H]3CCCO3)cc3c(c2oc1=O)CCC(C)(C)O3 12887842 VROOYHWJGQKECS-OAHLLOKOSA-N 415.486 3.187 0 40 HGAB biogenic COc1cc(C(=O)C[C@H]2OC(=O)c3c2ccc(OC)c3OC)cc(OC)c1OC 12897027 WFNZLWZUBHZHBC-OAHLLOKOSA-N 402.399 3.214 0 40 HGAB biogenic Cc1nc2c(=O)n(CC(=O)NCc3ccccc3Cl)nc(-c3ccco3)c2s1 13010585 MCUZGLBIWGNBKE-UHFFFAOYSA-N 414.874 3.391 0 40 HGAB O=C(c1ccc(Br)cc1F)N1CCN(Cc2ccc3c(c2)OCO3)CC1 13017403 GJDGNUQPFFYZNG-UHFFFAOYSA-N 421.266 3.275 0 40 HGAB COc1cc(/C=C2\N=C(c3ccccc3C)OC2=O)ccc1OCC(=O)N1CCCC1 13070169 SVADGNOFQWDJFY-UYRXBGFRSA-N 420.465 3.349 0 40 HGAB O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)OCC(=O)c1ccc(-c2ccccc2)cc1 13109161 XOWVMOGVEIOWPN-PMACEKPBSA-N 405.450 3.255 0 40 HGAB O=C(CCN1C(=O)S/C(=C\c2ccccc2F)C1=O)Nc1cccc2nonc12 13573078 XRYMLQYPPOMKNA-GDNBJRDFSA-N 412.402 3.427 0 40 HGAB O=S(=O)(c1ccc2c(c1)OCCO2)c1nc(-c2ccco2)oc1N1CCCC1 13725097 CBPLERQLRBSBID-UHFFFAOYSA-N 402.428 3.139 0 40 HGAB CC(=O)Nc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)O)c2)cc1Cl 14097612 DNNYQYSABQRIHE-UHFFFAOYSA-N 403.243 3.451 0 40 HGAB COc1ccc(CN(C)C(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)cc1 14820149 OLYVASSIGVAVPN-UHFFFAOYSA-N 416.543 3.450 0 40 HGAB COc1ccc(CC(=O)N[C@@H](c2cc(=O)[nH]c(-c3ccncc3)n2)C(C)C)cc1C 19571239 MGHJTYXFUXTLBC-JOCHJYFZSA-N 406.486 3.205 0 40 HGAB COc1ccc(-c2cc(C(=O)N(C)Cc3ccccc3N3CCOCC3)no2)cc1 19661039 BVMMGWQRRUOCDY-UHFFFAOYSA-N 407.470 3.459 0 40 HGAB NC(=O)C1(Cc2ccc(-c3ccccc3F)cc2)CCN(C(=O)[C@H]2CCCO2)CC1 19700503 YGBOHHNWJAHODD-OAQYLSRUSA-N 410.489 3.308 0 40 HGAB CSc1nc2c3c(sc2c2nnc(SCCN4CCOCC4)n12)CCCC3 20648860 LXIROUFFYKZJJX-UHFFFAOYSA-N 421.617 3.364 0 40 HGAB O=C(O)C1CCN(C(=O)Cc2csc(-c3cccc(Br)c3)n2)CC1 20722137 YCKBWNBSBKFLJL-UHFFFAOYSA-N 409.305 3.438 0 40 HGAB CC1CCN(C(=O)[C@@H](C)OC(=O)C2CCN(C(=O)Nc3ccccc3)CC2)CC1 22098361 LVINZZXHGAIDIP-QGZVFWFLSA-N 401.507 3.121 0 40 HGAB CCCNC(=O)Cn1nc2c(c1NC(=O)c1cc(-c3ccccc3)on1)CSC2 23138884 BLJYPGQYOMOOSY-UHFFFAOYSA-N 411.487 3.063 0 40 HGAB CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N(C)Cc1cccc(F)c1 23598776 FDPUNMHUWVAWLU-LJQANCHMSA-N 424.563 3.193 0 40 HGAB O=C(CCn1cnc2ccccc2c1=O)OCc1cc(=O)oc2cc3c(cc12)CCC3 26125377 WPHPRAKLHVQEMB-UHFFFAOYSA-N 416.433 3.125 0 40 HGAB CCOC(=O)C1=C(CSc2nccn2-c2ccccc2)NC(=O)N[C@H]1c1ccco1 27488890 MGVHDKGCYGKKQQ-SFHVURJKSA-N 424.482 3.429 0 40 HGAB COc1ccc([C@@H](CNC(=O)[C@@H](C)Sc2ccccc2)N2CCOCC2)cc1 27669955 JDUHDFYUQRGNQL-DYESRHJHSA-N 400.544 3.366 0 40 HGAB CC(C)(C)c1cc(NC(=O)CSCc2ccccc2)n([C@H]2CCS(=O)(=O)C2)n1 28621534 HNWWGPUIIHASAT-INIZCTEOSA-N 421.588 3.412 0 40 HGAB COc1ccc(CCN(C)C(=O)CCc2nc(-c3ccsc3)no2)cc1OC 30865071 XLAUFKWENMFYQK-UHFFFAOYSA-N 401.488 3.449 0 40 HGAB COc1cccc(-n2cnc3cc(C(=O)NCc4ccc(F)cc4)ccc3c2=O)c1 32094091 GJLQRJUZYXYDOH-UHFFFAOYSA-N 403.413 3.463 0 40 HGAB Cc1nc2c(-c3cccs3)nc(=O)n(CC(=O)NCCc3ccccc3)c2s1 32616365 GTWRDVGCZKMNEL-UHFFFAOYSA-N 410.524 3.249 0 40 HGAB CS(=O)(=O)c1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)cc1 32755019 XSCGICISTLEKJW-UHFFFAOYSA-N 415.536 3.481 0 40 HGAB COc1ccc([C@H](NC(=O)NCCCc2nc3ccccc3[nH]2)c2nccn2C)cc1 32809207 YXAKYYRIBKVTSQ-NRFANRHFSA-N 418.501 3.326 0 40 HGAB COc1ccc(NS(=O)(=O)c2ccc(Cc3cc(C)n[nH]c3=O)cc2)cc1Cl 33026637 KKQOKFZHEJKLNI-UHFFFAOYSA-N 419.890 3.132 0 40 HGAB CCc1ccc(NC(=O)Cn2nc3c(Sc4ccccc4)nccn3c2=O)cc1 33309405 KCCRCMWZPDWIHA-UHFFFAOYSA-N 405.483 3.243 0 40 HGAB Cc1ccc(C(=O)[C@@H]2[C@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@@H]3[C@H]3CCCN23)cc1 35349292 CEAHITVAIUOWIK-ZRNYENFQSA-N 408.885 3.484 0 40 HGAB CCn1nc(C)c(-c2cc(C(=O)Nc3nn(C)cc3Cl)c3cnn(C)c3n2)c1C 36616019 INWRIYTWHNSOQB-UHFFFAOYSA-N 412.885 3.108 0 40 HGAB COc1ccc(CC(=O)OCC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)cc1 40057241 MBUUUBHOTLWGCJ-UHFFFAOYSA-N 405.454 3.483 0 40 HGAB Cc1nc2ccc(NC(=O)C3CCN(S(=O)(=O)c4cccnc4)CC3)cc2s1 40072713 HKFQPZGXVNOUCG-UHFFFAOYSA-N 416.528 3.039 0 40 HGAB CCCC(=O)Nc1cc(Cl)ccc1OCc1cc(=O)n2c(ncn2C(C)C)n1 41089775 HXZUWXUPLGZPGH-UHFFFAOYSA-N 403.870 3.443 0 40 HGAB CCCCOc1ccc(OC)cc1NC(=O)C(=O)NCCCN1CCC(C)CC1 48355304 XCWWLONCUYJENC-UHFFFAOYSA-N 405.539 3.051 0 40 HGAB Cc1ccc(NC(=O)Cn2c(=O)n(-c3ccccc3)c(=O)c3sccc32)cc1C 57489575 BNZXDXKICTYNAK-UHFFFAOYSA-N 405.479 3.469 0 40 HGAB O=C(Nc1ccc(NC(=O)N(Cc2cccnc2)C[C@@H]2CCCO2)cc1)[C@H]1CCCO1 58174765 KHUHFWSCHHPAIH-LEWJYISDSA-N 424.501 3.412 0 40 HGAB Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)Nc1c(C)nn(C)c1-n1cncn1 58250303 SICAMLOTSHGHII-UHFFFAOYSA-N 402.524 3.024 0 40 HGAB Cc1nc(COC(=O)c2cc(S(=O)(=O)NC3CC3)c(Cl)cc2Cl)oc1C 58307189 ZWCJIZMMACZOLZ-UHFFFAOYSA-N 419.286 3.396 0 40 HGAB COc1cc(NS(=O)(=O)c2ccc3c(c2)CCC3)c(C(=O)O)cc1OC(F)F 60060002 OOOOBXZLJZHJLE-UHFFFAOYSA-N 413.398 3.284 0 40 HGAB CC(C)(C)c1nc(CS(=O)(=O)Cc2cc(Cl)c3c(c2)OCCCO3)no1 61782954 NFKZUIRJSRNMLX-UHFFFAOYSA-N 400.884 3.297 0 40 HGAB CCOC(=O)c1ccc(NC(=O)Cn2c(-c3ccc(OC)cc3)nc(C)cc2=O)cc1 67198523 HTIZHLIZYWELKM-UHFFFAOYSA-N 421.453 3.043 0 40 HGAB Cc1cc2nc(SCC(=O)NCc3ccc(C)o3)n(CCC(C)C)c(=O)c2[nH]1 67239365 ALOMAKLNFJNIKC-UHFFFAOYSA-N 402.520 3.389 0 40 HGAB Cc1ccc(NC(=O)Cn2c(-c3ccccc3)nc(C)c(CCO)c2=O)c(Cl)c1 67300235 OOOGMIDUIRMUEY-UHFFFAOYSA-N 411.889 3.354 0 40 HGAB O=C(OCCN1CCN(C(=O)C2CCC2)CC1)c1cccnc1SC1CCCC1 72310666 VRJYECPZIRCSGI-UHFFFAOYSA-N 417.575 3.217 0 40 HGAB COc1ccc(NC2=NC(=O)S/C2=C\c2ccc(OC)c(OCC(N)=O)c2)cc1 72401664 XMBOTEVWBPMKGF-YVLHZVERSA-N 413.455 3.286 0 40 HGAB COc1ccc(Br)cc1S(=O)(=O)N(C[C@H](C)O)c1ccccc1 95393879 FKSFCUZFPMAXMW-LBPRGKRZSA-N 400.294 3.034 0 40 HGAB C[C@@H]1C[C@@H](CNC(=O)c2cccc(S(=O)(=O)Nc3ccc(F)cc3)c2)CCO1 95457890 MZDQYVCWXVVXEI-CABCVRRESA-N 406.479 3.171 0 40 HGAB O=S(=O)(/C=C/c1ccccc1Br)N(CCCO)Cc1ccncc1 95461668 IXSIUMZKJGKFMO-MDWZMJQESA-N 411.321 3.029 0 40 HGAB Cc1noc(C)c1CN1CCC2(CC1)C[C@@H](CC(=O)NCCN(C)C)c1ccccc12 96052872 IDZIBMRZIDVARC-HXUWFJFHSA-N 424.589 3.380 0 40 HGAB CCOC(=O)c1sc(NC(=O)Cn2ccc3c(NC(C)=O)cccc32)nc1C 96118717 UPOBHPGHLXESBP-UHFFFAOYSA-N 400.460 3.180 0 40 HGAB COc1ccccc1NC(=O)NC[C@H]1O[C@H](Cc2cc(C(C)(C)C)on2)CC[C@@H]1O 96268967 ACINHEIJUQUPNZ-VDZJLULYSA-N 417.506 3.253 0 40 HGAB biogenic,in-vitro Ic1ccc(Oc2cc(N3CCOCC3)cc3nonc23)cc1 96336740 MSVORALJBAGHLJ-UHFFFAOYSA-N 423.210 3.456 0 40 HGAB O=C1C[C@H](NCCN2CCC(Cc3ccccc3)CC2)C(=O)N1c1ccc(F)cc1 100155041 QCPIQZBPHOPNFA-QFIPXVFZSA-N 409.505 3.002 0 40 HGAB COc1ccc(NC(=S)N2[C@H]3CCC[C@H]2CC(NC(=O)C2CC2)C3)c(OC)c1 100427133 YVGKUMOHNNPYFF-HOTGVXAUSA-N 403.548 3.312 0 40 HGAB CN1C(=O)N(C)C(=O)C2(Cc3cccc(F)c3N3[C@H]2[C@@]2(C)C[C@H]3CC(C)(C)C2)C1=O 101331440 DQPHCGCUOUCMGY-UVQUFPMPSA-N 413.493 3.192 0 40 HGAB O=C(COC(=O)[C@@H]1C[C@H]2C=C[C@H]1C2)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 102203713 WNABOSKSCDBPJF-OFQRWUPVSA-N 424.419 3.236 0 40 HGAB CN(C)c1ccc(NC(=O)C(=O)NCc2ccc([C@H](O)c3ccccc3)s2)cc1 207972391 RIQBWEFYKCWCHA-HXUWFJFHSA-N 409.511 3.151 0 40 HGAB O=C(O)c1cc(S(=O)(=O)NCc2ccco2)ccc1NCCc1ccccc1 217627460 IYIOLPCAEHEVEU-UHFFFAOYSA-N 400.456 3.111 0 40 HGAB CC[C@H](C(=O)NCCOc1ccccc1)N(c1ccc(Cl)cc1)S(C)(=O)=O 224306154 SZAGPNLYSPITDT-GOSISDBHSA-N 410.923 3.080 0 40 HGAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NS(=O)(=O)c1ccc2c(c1)sc(=O)n2C 225681915 JVCVEWCDPBLDPT-OAHLLOKOSA-N 418.540 3.489 0 40 HGAB CC(C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCc1ccc2c(c1)OCCO2 225697461 GLTMOQFQZQRWDX-IBGZPJMESA-N 424.541 3.375 0 40 HGAB C[C@H](CCC(=O)O)[C@@H]1CC[C@@H]2[C@H]3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@@H]3C[C@@H](O)[C@]12C 248238208 NKRVAQNWPRPQDK-UDLXEZAKSA-N 406.563 3.369 0 40 HGAB CC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@H]2[C@H]2c3ccccc3C=NN12 248378890 KYMCRXNRHMJWMS-SSGKUCQKSA-N 409.445 3.307 0 40 HGAB Cc1cccc([C@]2(C(N)=O)CCCN2Cc2cccc(OCc3ccccn3)c2)n1 257280561 OLJPRYQERCICNS-DEOSSOPVSA-N 402.498 3.341 0 40 HGAB COc1ccc(CNC(=S)Nc2nc(OC)cc(N3CCCC[C@H]3C)n2)cc1 260723356 XWDSBXYHNVACKJ-CQSZACIVSA-N 401.536 3.359 0 40 HGAB O=C(NCCc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)NC1CCCC1 408708473 IIGQBZZGBZBRIJ-UHFFFAOYSA-N 413.905 3.310 0 40 HGAB Cc1cccc(CSCCNC(=O)CN(c2c(C)cccc2C)S(C)(=O)=O)c1 408927610 YIKAQURKSWADPB-UHFFFAOYSA-N 420.600 3.427 0 40 HGAB CC(=O)Oc1ccc(C(=O)COC(=O)CCC(=O)Nc2ccc(Cl)cc2)cc1 409172939 JLMYLMQEYPUYAM-UHFFFAOYSA-N 403.818 3.410 0 40 HGAB Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)N1[C@@H](C)Cc2cc(F)ccc2[C@H]1C 537696497 HMHKPXOCWKTVFN-GXTWGEPZSA-N 423.492 3.051 0 40 HGAB CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCc1nc(C2CCC(F)(F)CC2)no1 575617328 SLFMFKHIDZRWNE-ZDUSSCGKSA-N 414.453 3.378 0 40 HGAB O[C@H]1CCN(Cc2ccncc2)CCCCCc2cc(Cl)ccc2OC[C@H]1O 1615160782 JYBSZJZHOQSMFN-LEWJYISDSA-N 404.938 3.454 0 40 HGAB O=S(=O)(c1ccccc1F)N1CC[C@@H](COc2cccc(C(F)(F)F)n2)C1 1889214343 IDXZJOQZAHBNOR-GFCCVEGCSA-N 404.385 3.329 0 40 HGAB Cn1cc(-c2ccc(CCNS(=O)(=O)c3ccccc3Br)cc2)cn1 1889279690 SQBTZCXLJCTKIZ-UHFFFAOYSA-N 420.332 3.371 0 40 HGAB O=C(CSc1ccncc1)N1CCc2nc3ncc(Br)cc3cc2C1 2298085406 PWJMRIQIBPRMND-UHFFFAOYSA-N 415.316 3.464 0 40 HGAB COc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)c(OC)cc1Cl 1074449 YTZLWQRYUYDETA-UHFFFAOYSA-N 424.950 3.485 0 40 HGAB COc1ccc(NC(=O)Cn2nnc(-c3cccc(C(F)(F)F)c3)n2)cc1OC 2654202 XUIHVQPYRGFRKP-UHFFFAOYSA-N 407.352 3.015 0 40 HGAB C[C@@H]1N=C2c3ccccc3N=C(SCc3cc(=O)n4cc(Cl)ccc4n3)N2C1=O 2965508 TXOQVBJZANGJTM-NSHDSACASA-N 423.885 3.260 0 40 HGAB CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)OCCOc2ccccc2Cl)c1 3533265 PQZVQTZIGNEYLX-UHFFFAOYSA-N 418.298 3.480 0 40 HGAB COc1cccc(C(=O)N[C@]2(C(F)(F)F)NC(=O)N(c3ccc(C)c(C)c3)C2=O)c1 3626797 OPJPKPJJGRSDPV-IBGZPJMESA-N 421.375 3.057 0 40 HGAB COc1ccc(OCc2nnc(SCC(=O)N(C)C)n2-c2ccccc2F)cc1 4246827 DVSKCJKTNLJWKO-UHFFFAOYSA-N 416.478 3.174 0 40 HGAB Cc1ccc(-c2nc3scc(CCNC(=O)C(=O)Nc4ccccc4)n3n2)cc1 4374828 FFCOUIJBHPTIDV-UHFFFAOYSA-N 405.483 3.064 0 40 HGAB O=C(NCc1cccs1)C(=O)Nc1c2c(nn1-c1ccc(F)cc1)CSC2 4941729 NSHFSDHZGPEQPK-UHFFFAOYSA-N 402.476 3.075 0 40 HGAB CCn1ncc(C2=NO[C@H](C(=O)Nc3c(C)nn(Cc4ccc(F)cc4)c3C)C2)c1C 5053463 PRWGONORYWLIRX-FQEVSTJZSA-N 424.480 3.344 0 40 HGAB Cc1cc(OCC(=O)N2CCN(c3ccccc3)CC2)c2c3c(c(=O)oc2c1)CCC3 5345519 ZVRDTBNSIKPZSH-UHFFFAOYSA-N 418.493 3.318 0 40 HGAB COc1cc(NC(=S)NC(=O)c2ccccc2OC)ccc1NC(=O)C(C)C 5944618 MTTXPSOQPNHIDR-UHFFFAOYSA-N 401.488 3.425 0 40 HGAB COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)N1CCCCC1 6401070 BQLPEUSTXRXPOV-UHFFFAOYSA-N 400.500 3.073 0 40 HGAB Cc1c(C)c2cc(Cl)c(OCC(=O)NC[C@H](O)c3ccccc3)cc2oc1=O 6659775 ZJLFPXXTFLEUEJ-KRWDZBQOSA-N 401.846 3.292 0 40 HGAB Cc1ccccc1NC(=O)Cn1c(=O)n(CCc2ccccc2)c(=O)c2sccc21 6679407 BSGOWGCTSAQWDR-UHFFFAOYSA-N 419.506 3.415 0 40 HGAB CCNC(=O)[C@@H](C)OC(=O)c1ccc(COc2ccc3c(C)cc(=O)oc3c2)cc1 7088527 AZSDJYLZTBMZET-OAHLLOKOSA-N 409.438 3.362 0 40 HGAB CCCc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3ccc(NC(C)=O)cc3)C2=O)cc1 7125942 YLZWHPJGPIGZFU-QHCPKHFHSA-N 422.485 3.003 0 40 HGAB CC(C)Sc1nnc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)s1 7344861 SJOHGJMJDAQKLE-UHFFFAOYSA-N 412.562 3.075 0 40 HGAB COc1ccc(Cl)cc1NC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1OC 7459245 NMGVSMSIOTYGSF-UHFFFAOYSA-N 403.797 3.295 0 40 HGAB CC(C)(C)C(=O)/C=c1\s/c(=C\c2cccc(F)c2)c(=O)n1Cc1ccccc1F 7612115 RPJLSFAIEZKNBM-FEQHTUGKSA-N 413.489 3.461 0 40 HGAB CC(=O)c1ccc(OC[C@H](O)CN(C)CCOc2ccc(Br)cc2)cc1 7990812 WLCFCMDYZWIYSC-GOSISDBHSA-N 422.319 3.402 0 40 HGAB C[C@H](NC(=O)COC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1)c1ccccc1 8036444 BEVCNPJWOCGFFB-HOCLYGCPSA-N 400.862 3.114 0 40 HGAB CC(C)CNS(=O)(=O)c1ccc(Br)c(C(=O)NC2CCCC2)c1 8081637 VALFJSPNBLIBDM-UHFFFAOYSA-N 403.342 3.056 0 40 HGAB CN(Cc1ccccc1N1CCCC1)S(=O)(=O)c1ccc2c(c1)OCCCO2 8156341 ICPXATJTHZGZSM-UHFFFAOYSA-N 402.516 3.269 0 40 HGAB CCc1sc(C(=O)N2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)cc1C 8242531 WDDNWNDIEFYNMZ-UHFFFAOYSA-N 414.499 3.044 0 40 HGAB COc1cccc(-c2noc(CN3C(=O)N[C@](C)(c4ccc(Cl)cc4)C3=O)n2)c1 8772204 JFTWXZUTPCXKLS-HXUWFJFHSA-N 412.833 3.366 0 40 HGAB O=C(Nc1nc2c(s1)CCCC2)[C@@H]1CCCCN1S(=O)(=O)c1cccs1 9663890 BHTULWHGGYYBEO-ZDUSSCGKSA-N 411.574 3.265 0 40 HGAB CC(C)c1cc(C(=O)N2CCC[C@@H](c3nc4ccc(F)cc4cc3C(N)=O)C2)n(C)n1 12220346 KGDYQKXURDSYJS-CQSZACIVSA-N 423.492 3.350 0 40 HGAB O=C(c1cc[nH]n1)N1CCC(c2nc3ccccc3cc2C(=O)N2CCCC2)CC1 12221931 QDTIQDNKIHTSPT-UHFFFAOYSA-N 403.486 3.214 0 40 HGAB Cc1ccccc1N(CC(=O)Nc1ccc(N2CCCCC2)cc1)S(C)(=O)=O 12597694 XGRWEFINBCYNNZ-UHFFFAOYSA-N 401.532 3.390 0 40 HGAB O=C(N[C@H](Cc1ccccc1)C(=O)N1CCOCC1)c1ccc(Cl)cc1Cl 12781972 NWJCHNZOAUJZIU-GOSISDBHSA-N 407.297 3.193 0 40 HGAB COc1ccc(Br)cc1CN(C)CN1C(=O)N[C@@]2(CCCC[C@@H]2C)C1=O 13095620 WHYBCYNUGPACJO-ORAYPTAESA-N 424.339 3.348 0 40 HGAB COc1ccc(Cl)cc1N([C@H](C)C(=O)N1CCc2ccccc21)S(C)(=O)=O 13632336 QUONHSSYYHCCBY-CYBMUJFWSA-N 408.907 3.092 0 40 HGAB CCn1c(CC(=O)Nc2cccc(C)c2)nnc1SCC(=O)NC1CCCCC1 13955974 WBJOTZXXBLTQCA-UHFFFAOYSA-N 415.563 3.329 0 40 HGAB CNS(=O)(=O)c1cccc(C(=O)N2CCC[C@H]2c2nc3ccccc3s2)c1 15544083 YAXQFTOAKZMHCC-INIZCTEOSA-N 401.513 3.182 0 40 HGAB O=C(CSc1nnc2ccc(-c3ccccc3)nn12)Nc1ccc2c(c1)OCCO2 15881690 ZJWOBIPIJBEOAY-UHFFFAOYSA-N 419.466 3.293 0 40 HGAB COC(=O)c1ccc(NS(=O)(=O)c2c(F)cc(F)cc2Br)cc1 16101444 WAPJDCGHHLWAJE-UHFFFAOYSA-N 406.204 3.315 0 40 HGAB Cc1nnc2sc(-c3ccc(NC(=S)NC(=O)COc4ccccc4)cc3)nn12 17093966 NRBNOSVFBPNFRQ-UHFFFAOYSA-N 424.511 3.053 0 40 HGAB C[C@H](Oc1ccccc1F)C(=O)N1CC[C@@H](c2cc(O)nc(-c3ccccn3)n2)C1 19077649 ZGSSUQIKRBYDCN-LSDHHAIUSA-N 408.433 3.167 0 40 HGAB Cc1nc(C)n(C[C@@H](C)C(=O)N[C@H](Cc2ccccc2)c2ccc3c(c2)OCCO3)n1 19285904 CTPZMWAFHZSNHL-IIBYNOLFSA-N 420.513 3.402 0 40 HGAB CN(C)C(=O)[C@@]1(Cc2ccc(-c3ccsc3)cc2)CCN(C(=O)c2ccn(C)n2)C1 19290859 JZZFRWISAXZCSP-HSZRJFAPSA-N 422.554 3.312 0 40 HGAB O=C(Nc1cnn(Cc2ccccc2F)c1)[C@H]1CC(=O)N(Cc2cccc(F)c2)C1 19718368 SUMRELHLFGRSML-KRWDZBQOSA-N 410.424 3.197 0 40 HGAB COc1ccc([C@H](NC(=O)c2cc3nccc(-c4cnn(C)c4C)n3n2)C2CC2)cc1 19719024 IESFHNPVATXCES-JOCHJYFZSA-N 416.485 3.328 0 40 HGAB CN(C)CCCN1CNC2=N[C@@H](c3ccc(Cl)cc3)n3c(nc4ccccc43)N2C1 20101298 DXVOBXYDKSDWFD-HXUWFJFHSA-N 423.952 3.185 0 40 HGAB Cc1ccc2[nH]cc(CCNC(=O)[C@H]3CC(=O)N(CCc4ccc(F)cc4)C3)c2c1 20407618 HGFFMFARNJBLIC-IBGZPJMESA-N 407.489 3.365 0 40 HGAB COc1cc2c(cc1OC)-c1c(c(C(=O)NC[C@H]3CCCO3)nn1-c1ccccc1)C2 20744821 KMZBKEBBXRROOM-QGZVFWFLSA-N 419.481 3.370 0 40 HGAB CN1CCN([C@H](c2ccccc2F)c2sc3nc(-c4ccco4)nn3c2O)CC1 22577369 ADAJVMBHULSIGP-MRXNPFEDSA-N 413.478 3.232 0 40 HGAB COc1ccc(OC)c(NC(=O)CN2CCN(Cc3ccc(Cl)s3)CC2)c1 22772472 OOBJYSZXOPOYDB-UHFFFAOYSA-N 409.939 3.175 0 40 HGAB Cc1ccc(NC(=O)NC(=O)CN2CCN(Cc3ccc(Cl)s3)CC2)c(C)c1 22876992 XMFMMCMJYIGGPR-UHFFFAOYSA-N 420.966 3.484 0 40 HGAB O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)NCC1(c2ccccc2)CCCCC1 25251494 AOFNFDWFHZBWFZ-UHFFFAOYSA-N 405.498 3.098 0 40 HGAB O=C(c1cccc(OC(F)F)c1)N1CCN(C(=O)C2(c3ccccc3)CC2)CC1 27162459 CRYDVVDBMRLTDJ-UHFFFAOYSA-N 400.425 3.304 0 40 HGAB COCCOc1ccc(S(=O)(=O)N(C)Cc2ccc(Br)s2)cc1 27955455 GVULHLLPQKOEFX-UHFFFAOYSA-N 420.350 3.357 0 40 HGAB Cc1cc(S(=O)(=O)N(C)C)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 28207470 BYPXLHNDWDXDEZ-UHFFFAOYSA-N 416.421 3.282 0 40 HGAB O=C(CN1CCN(C(=O)c2ccccc2Nc2ccccc2)CC1)N1CCCCC1 28330398 CEDCRCMYRGHCHF-UHFFFAOYSA-N 406.530 3.201 0 40 HGAB CCN(CC)S(=O)(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1c1ccccc1 29079539 FLVSIQBUKXVLGH-OAQYLSRUSA-N 404.532 3.238 0 40 HGAB Cc1ccc2[nH]cc(CCN3C[C@H](C(=O)Nc4ccc5c(c4)OCCO5)CC3=O)c2c1 35558717 GKNWCEPGMRBRGZ-QGZVFWFLSA-N 419.481 3.277 0 40 HGAB O=C(Nc1ccc2[nH]cc([C@@H](C(=O)O)N3CCC[C@H](C(=O)O)C3)c2c1)c1ccccc1 35581150 ULAGRRUPIPJJSS-YWZLYKJASA-N 421.453 3.343 0 40 HGAB CC(=O)c1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H](C(=O)c2ccc(C)cc2)N2CCC[C@H]32)cc1 35855716 PGEPDVMBAYDJFH-YSFYHYPLSA-N 416.477 3.033 0 40 HGAB COc1ccc([C@@H]2CCCN2CC(=O)N2CCN(c3cccc(C)c3)CC2)cc1OC 36397103 HRKLQSMLMAHAJX-QFIPXVFZSA-N 423.557 3.498 0 40 HGAB Cc1nn(-c2ccc3nncn3n2)c2c1[C@H](c1cccc(OC(F)F)c1)CC(O)=N2 40285278 QRSOIIOQRZYQDF-ZDUSSCGKSA-N 411.372 3.343 0 40 HGAB Cc1ccc(C)c([C@@H](C)NC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)c1 44905929 PPLKFDVHDSMABQ-KUHUBIRLSA-N 422.934 3.361 0 40 HGAB O=C(Cn1cnc2nc(N3CCCCC3)sc2c1=O)Nc1cccc(Cl)c1 45970139 VVKWPYHBIMSLNA-UHFFFAOYSA-N 403.895 3.135 0 40 HGAB Cc1ccnc(NC(=O)C2CCN(C(=O)c3ccc4nc(C)c(C)nc4c3)CC2)c1 47292184 MUYZITAWEMHDFL-UHFFFAOYSA-N 403.486 3.441 0 40 HGAB Cn1cc(C(=O)NC2CCN(C(=O)CCc3cccc(Cl)c3Cl)CC2)cn1 48333206 SUZDKGSBHMLWSK-UHFFFAOYSA-N 409.317 3.081 0 40 HGAB C[C@H](CN1CCCC1=O)NC(=O)Nc1cc(Cl)ccc1C(=O)N1CCCCC1 48375383 VGYFBCHDDYIHBT-CQSZACIVSA-N 406.914 3.099 0 40 HGAB CCCn1c(CN(Cc2ccccc2)Cc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C 57015976 QCSAIRBBHHVZCB-UHFFFAOYSA-N 417.513 3.036 0 40 HGAB O=C(CN1CCN(c2ccccc2O)CC1)Nc1ccc(Br)cc1F 58123659 HELAHMVAPZSGPC-UHFFFAOYSA-N 408.271 3.055 0 40 HGAB Cc1c(CN2CCSCC2)cccc1NC(=O)c1cccc(NS(C)(=O)=O)c1 60240649 JZZPCJNCGLFSNR-UHFFFAOYSA-N 419.572 3.168 0 40 HGAB CC(C)c1nnc(NC(=O)c2ccc(N3CCCCS3(=O)=O)cc2Cl)s1 71279136 FCASORCFIJMKKT-UHFFFAOYSA-N 414.940 3.497 0 40 HGAB CCc1noc(-c2ccc(-n3cnc(C(=O)NCc4ccc(F)cc4F)c3)nc2)n1 71768348 RHAKTNPPKXLFOZ-UHFFFAOYSA-N 410.384 3.088 0 40 HGAB CN1C(=O)CO[C@H](c2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2)[C@H]1CO 72321439 PXUSINXAZDRUFM-ISKFKSNPSA-N 416.477 3.497 0 40 HGAB biogenic,in-vitro Cc1ncc2c(n1)[C@]1(C)CCCN(C(=O)c3cn4c5c(cccc5c3=O)CC4)[C@@H]1CC2 72342449 VICMIFSINLZXJQ-CJFMBICVSA-N 414.509 3.165 0 40 HGAB O=C(CN1CCn2cccc2[C@@H]1c1ccccc1)Nc1ccc(N2CCOCC2)cc1 84525735 WQGSTLTWKLCPCY-VWLOTQADSA-N 416.525 3.368 0 40 HGAB CCC(CC)[C@@H](CCNC(=O)c1ccc(S(=O)(=O)N2CCCCC2)o1)OC 84727351 BTVDPPMOGRPJGK-MRXNPFEDSA-N 400.541 3.025 0 40 HGAB CN(CC(=O)N1CCOCC1)C(=O)c1cc(-c2ccccc2Cl)nc2ccccc12 89335436 ARANUWMTDIMETE-UHFFFAOYSA-N 423.900 3.486 0 40 HGAB O=C(Nc1nc(C(F)(F)F)cs1)c1ccc(-n2cc(Br)cn2)nn1 89794323 AHOUTGAKXICHBO-UHFFFAOYSA-N 419.186 3.152 0 40 HGAB C[C@@H](NCC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1)C12CC3CC(CC(C3)C1)C2 95469680 VGQSGTPDODSZTL-HUIQTFQGSA-N 422.635 3.139 0 40 HGAB COc1ccccc1CNC(=O)[C@H]1[C@@H](c2nc3ccccc3c(=O)[nH]2)[C@H]2C=C[C@H]1C2 100453977 SWIKHZHVYJATFY-LATRNWQMSA-N 401.466 3.154 0 40 HGAB CO[C@H]1CC[C@H](C(=O)NCCn2nc(-c3ccccc3F)cc2CN(C)C)CC1 100733697 MFULDIWMBCUHBT-MAEOIBBWSA-N 402.514 3.072 0 40 HGAB COc1ccc(NC(=O)CSc2nnc(-c3cc(OC)cc(OC)c3)[nH]2)cc1 107707807 BFONZLAMRVDFRG-UHFFFAOYSA-N 400.460 3.228 0 40 HGAB CC[C@H](C(=O)NCCSCc1ccccc1)N(c1ccccc1F)S(C)(=O)=O 220589314 LUASHUDQKLVZFB-GOSISDBHSA-N 424.563 3.420 0 40 HGAB CC[C@@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(OC)c(OC)c1 223231626 URKUHRWZXYQPOF-IBGZPJMESA-N 416.493 3.329 0 40 HGAB O=C(O)c1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCO)o2)cc1 223593542 WIUSCOLMUQPMSH-MOPGFXCFSA-N 409.467 3.005 0 40 HGAB COc1ccc(CC(=O)N(Cc2ccc(OC)cc2)[C@@H](C)C(=O)NCC(C)C)cc1 224476817 KPOHBAWMBIOKRW-SFHVURJKSA-N 412.530 3.436 0 40 HGAB CCNC(=O)[C@]1(Cc2ccccc2-c2cncnc2)CCCN(C(=O)[C@H]2C[C@H]2C)C1 253592844 ZVWXITKBPUOMQV-GQOCTPOGSA-N 406.530 3.087 0 40 HGAB COc1cc(OC)cc([C@@H]2OCC[C@]3(NC(C)=O)[C@H]4C[C@@H](C[C@@H]23)C(C)(C)N[C@@H]4C)c1 257299822 RRSFXFCFEDUELR-YEYYYBMFSA-N 416.562 3.453 0 40 HGAB Cc1cccc(N([C@H](C)C(=O)N[C@H](C)COc2ccccc2C)S(C)(=O)=O)c1 260593124 WUMSUVHYPKFRKQ-QZTJIDSGSA-N 404.532 3.042 0 40 HGAB CCOc1ccc(C(=O)N2CCc3ccccc3C2)cc1S(=O)(=O)N1CCCC1 408696660 DEYMTRUMQFJJAK-UHFFFAOYSA-N 414.527 3.068 0 40 HGAB Cc1cc(C)c(NC(=O)[C@@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)c(C)c1 408702594 BXIPZEPQDBQCKH-MRXNPFEDSA-N 418.515 3.176 0 40 HGAB CCc1ccc(/C=C2/C(=O)N(c3ccc(OC)cc3)C(=S)N2CC(=O)OC)s1 409056473 GUNGIAPMXACDRQ-BOPFTXTBSA-N 416.524 3.467 0 40 HGAB COC(=O)C(=Cc1ccc(OS(=O)(=O)c2ccc(C)cc2)c(Cl)c1)C(=O)OC 409068428 RKRDHSZYKFLCMV-UHFFFAOYSA-N 424.858 3.146 0 40 HGAB O=S(=O)(Nc1ccc(-c2noc(C(F)F)n2)cc1)c1ccc2nc(O)oc2c1 559256311 XDPDNTPBEYTECZ-UHFFFAOYSA-N 408.342 3.322 0 40 HGAB Cn1ccc2cc(C(=O)N3CC4(C[C@@H](OCC5CCOCC5)CS4)C3)ccc21 575404935 WCMWIUKHHRTHKJ-LJQANCHMSA-N 400.544 3.322 0 40 HGAB COc1ccc(CCS(=O)(=O)NC[C@@H](O)c2ccc(-c3ccco3)cc2)cc1 585148004 LXSIGUBJRBLABR-HXUWFJFHSA-N 401.484 3.151 0 40 HGAB O=C(CCn1ccc2ccccc21)N1CCN(C[C@H]2CCCN3CCCC[C@@H]23)CC1 1083103393 UFFCBOKRQSOOSD-VWNXMTODSA-N 408.590 3.440 0 40 HGAB Brc1cnc(OC[C@H]2CCCN(Cc3ccc4c(c3)OCCO4)C2)nc1 1776009342 FGGGBXBAABCKLG-HNNXBMFYSA-N 420.307 3.301 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCc3ccccc3C)C2)cc1 1361882 NLUBNFVLJAQIQG-HXUWFJFHSA-N 400.544 3.063 0 40 HGAB CCOC(=O)c1c(C)n(C)c2ccc(OC)c(NC(=O)CCN3CCSCC3)c12 2375812 DWDHSAAOHLDDKE-UHFFFAOYSA-N 419.547 3.049 0 40 HGAB C[C@@]1(c2ccccc2Br)NC(=O)N(CC(=O)c2ccc(F)cc2)C1=O 3563460 IDLRDCLFLQHYPI-SFHVURJKSA-N 405.223 3.238 0 40 HGAB COc1ccc(OCCCC(=O)O[C@@H](C)C(=O)Nc2ccc(NC(C)=O)cc2)cc1 4242940 ASSMFCRFNBJIKA-HNNXBMFYSA-N 414.458 3.383 0 40 HGAB O=C(NCC[C@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1)NC1CCCCC1 4554095 IPDWBDONPHTYJB-GOSISDBHSA-N 411.543 3.391 0 40 HGAB Cc1noc(C)c1Cn1c(=O)c2c(ncn2CCC(C)C)n(Cc2ccccc2)c1=O 4936277 SRWIHHZBEFPFOQ-UHFFFAOYSA-N 421.501 3.107 0 40 HGAB COC[C@H](C)n1c(C)cc(C(=O)CSc2nnnn2-c2cccc(F)c2)c1C 5220109 ALONUUCJTHBGRS-ZDUSSCGKSA-N 403.483 3.402 0 40 HGAB CC[C@@H]1CCc2sc(C(=O)OCC(=O)NCC(=O)Nc3ccc(F)cc3)cc2C1 5561308 SZYQCZKNGNAURP-CYBMUJFWSA-N 418.490 3.314 0 40 HGAB CCCOc1ccc(C(=O)OCC(=O)NCc2ccc(OC)cc2)cc1OCC 6431606 BCBGUTNFIGAKAP-UHFFFAOYSA-N 401.459 3.356 0 40 HGAB COc1cc(Cl)c(C)cc1NS(=O)(=O)c1c(C)nc2scc(C)n2c1=O 6823595 YEYPOJCXTMCCNW-UHFFFAOYSA-N 413.908 3.144 0 40 HGAB CCc1ccc(NC(=O)[C@@H](C)OC(=O)/C(=C/c2ccccc2)n2nnnc2C)cc1 7141460 ODNZQNRSAKKFKV-KWPCUBQOSA-N 405.458 3.112 0 40 HGAB C[C@@H](NC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)c1cc2ccccc2o1 7278933 JPZPMTQKWOYGOX-FATZIPQQSA-N 403.438 3.004 0 40 HGAB C[C@@H](NC(=O)CSc1nnc(Cc2ccccc2)o1)c1ccc2c(c1)OCCO2 7734722 SFIVHDXVMDXTLH-CQSZACIVSA-N 411.483 3.401 0 40 HGAB COc1cccc(-c2nc(CC(=O)NCCCn3nc(C)cc3C)cs2)c1OC 7737641 WXYRFAVTDQSYCO-UHFFFAOYSA-N 414.531 3.390 0 40 HGAB C[C@H](C(=O)N1CCC(Cc2ccccc2)CC1)N(c1ccc(F)cc1)S(C)(=O)=O 7872042 XFODFYULXGYRRT-QGZVFWFLSA-N 418.534 3.462 0 40 HGAB CC(=O)c1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccccc2Cl)cc1 8413725 MYUWLXWXLFQBOV-UHFFFAOYSA-N 402.834 3.443 0 40 HGAB C[C@@H]1Sc2ccc(C(=O)OCC(=O)NCc3cccc(Cl)c3)cc2NC1=O 8713430 NKCKZPNNAICBFO-NSHDSACASA-N 404.875 3.246 0 40 HGAB O=C(COC(=O)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1)c1ccc(F)cc1 8927278 QDKNIYNYBOXDDE-ZDUSSCGKSA-N 420.234 3.367 0 40 HGAB COc1ccccc1/C=c1\sc2nnc(-c3ccc(Br)cc3)n2c1=O 9187913 UKYXHLMZUFNEJA-GDNBJRDFSA-N 414.284 3.137 0 40 HGAB COc1cc(/C=C/C(=O)OCC(=O)NCCc2ccc(F)cc2)ccc1OC(F)F 9442404 VPJTYVYXFDKIEG-WEVVVXLNSA-N 423.387 3.351 0 40 HGAB COc1cc(CNCc2ccco2)ccc1OCc1ccc2c(c1)n(C)c(=O)n2C 9576278 DLZQVILUBWTUOJ-UHFFFAOYSA-N 407.470 3.347 0 40 HGAB Cc1ccccc1-n1c(-c2ccc(Cl)cc2)cn2c3c(=O)[nH]c(=O)n(C)c3nc12 10104613 RXPCZKWSXFECIJ-UHFFFAOYSA-N 405.845 3.294 0 40 HGAB CCOc1ccc(N([C@H](C)C(=O)NCCCc2cccc(C)c2)S(C)(=O)=O)cc1 10110707 DCJBVZVKHQUZIE-GOSISDBHSA-N 418.559 3.297 0 40 HGAB CCOc1ccccc1CCCNC(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O 10110928 JAWXQALOJXNRNG-UHFFFAOYSA-N 418.559 3.217 0 40 HGAB Cc1ccc(S(N)(=O)=O)cc1C(=O)NCc1ccc(-c2ccc(Cl)cc2)o1 10811778 VMJOJQSLZSDFEN-UHFFFAOYSA-N 404.875 3.486 0 40 HGAB Cc1ccc(NC2=NN=C(c3ccc(CCNS(C)(=O)=O)s3)CS2)cc1C 11116257 NASAMMRBQNAQOG-UHFFFAOYSA-N 422.601 3.376 0 40 HGAB CC(C)CCN1C(=O)c2ccc(C(=O)O[C@H](C)C(=O)NC3CCCCC3)cc2C1=O 11183217 DCBJPCBTIVAIQR-OAHLLOKOSA-N 414.502 3.323 0 40 HGAB CCOC(=O)[C@H]1[C@@H](c2cccc(Cl)c2Cl)NC(=O)N(C)[C@@]1(O)C(F)(F)F 11859212 PNSNPZMMVZBGOH-UDZFHETQSA-N 415.195 3.120 0 40 HGAB Cn1c(=O)c2c(-c3ccc(F)cc3)n(-c3cnc4ccccc4c3)cc2n(C)c1=O 12324401 HLGCDURLGLTGIU-UHFFFAOYSA-N 400.413 3.382 0 40 HGAB COc1ccc(NS(=O)(=O)c2ccc(C(=O)NCCCOC(C)C)cc2)cc1 12604836 PPSWCOQJDUCVQE-UHFFFAOYSA-N 406.504 3.041 0 40 HGAB CCN(Cc1nc(-c2ccc(OC)c(OC)c2)no1)S(=O)(=O)c1ccc(F)cc1 12843424 MDXAEEOSVWYACR-UHFFFAOYSA-N 421.450 3.104 0 40 HGAB O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCC[C@H]1c1nnc2ccccn12 12890955 JFDNNFIVGNLPSA-AWEZNQCLSA-N 412.393 3.154 0 40 HGAB CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1csc(-c2ccsc2)n1 12901871 WMKQPPBAZWKNKV-UHFFFAOYSA-N 419.553 3.325 0 40 HGAB O=C(Nc1nc2cc3c(cc2s1)OCCO3)[C@@H]1CCCN(C(=O)c2ccoc2)C1 12952447 OZMVFLXIFAGARC-GFCCVEGCSA-N 413.455 3.151 0 40 HGAB COc1ccc(C(=O)N(C)Cc2cccc(Cl)c2)cc1S(=O)(=O)NC1CC1 12984411 RBCATZWYRUNDOC-UHFFFAOYSA-N 408.907 3.062 0 40 HGAB COc1ccc(C)cc1[C@@H](C)NC(=O)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(C)C 14183533 LZSNDQQHAYWWRQ-DYESRHJHSA-N 418.559 3.492 0 40 HGAB CC(C)(C)Nc1c(C2CCN(C(=O)COC[C@H]3CCCO3)CC2)nc2ccccn12 19083134 HWLCWQCDDHHJBQ-GOSISDBHSA-N 414.550 3.446 0 40 HGAB Cc1cnc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)c2cc(N(C)C)nc(C)n2)cn1 19238967 NFUOIPGPVOYKJM-IBGZPJMESA-N 415.501 3.145 0 40 HGAB Cc1nc(-c2ccccn2)sc1C(=O)Nc1cccc(OCCN2CCOCC2)c1 19561053 MNZJLIYBESZSHG-UHFFFAOYSA-N 424.526 3.477 0 40 HGAB COc1ccccc1-c1ccccc1C[C@@H]1CN(C(=O)c2ccncc2)CCNC1=O 19571819 UHPDISVZQZZVAL-HXUWFJFHSA-N 415.493 3.188 0 40 HGAB CN(C)c1nc2ccccc2cc1CN(CCN1CCOCC1)Cc1cccnc1 19584042 DNQWQRUZBQUGCO-UHFFFAOYSA-N 405.546 3.030 0 40 HGAB CN(C)C(=O)c1cc([C@@H]2CCN(S(=O)(=O)Cc3ccccc3)C2)nc2ccccc12 19761044 UDBARTARAMWICY-GOSISDBHSA-N 423.538 3.256 0 40 HGAB Cc1nc([C@H]2CCCCN2C(=O)Cc2ccccn2)ncc1C(=O)N1CCCCC1 19765728 XQNXALFCOZWNPX-HXUWFJFHSA-N 407.518 3.102 0 40 HGAB CCOC(=O)c1cccc(NC(=O)c2ccc(NS(C)(=O)=O)cc2Cl)c1C 20042593 DMYHHNFRPXDIBG-UHFFFAOYSA-N 410.879 3.449 0 40 HGAB CC(C)N(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CCc1nc(-c2cccs2)no1 24945521 GYAXEOPKRHEAMS-UHFFFAOYSA-N 423.498 3.404 0 40 HGAB COc1cc(I)c(Cl)cc1C(=O)NCc1cccnc1 28844434 MRNDAIGIWMQUHU-UHFFFAOYSA-N 402.619 3.278 0 40 HGAB C[C@@H]1c2cccn2CCN1C(=O)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1 30799506 DJVLCECZUMXEAQ-ZIAGYGMSSA-N 402.292 3.207 0 40 HGAB COc1ccc(N(CC(=O)N[C@H](C)c2ccc(C)cc2)S(C)(=O)=O)cc1Cl 30860294 QLRKJPVOTNTRGA-CQSZACIVSA-N 410.923 3.300 0 40 HGAB COCCNC(=O)CSc1ccccc1C(=O)NC[C@@H]1CCCc2ccccc21 30897663 INGOCTSQGIMQGK-SFHVURJKSA-N 412.555 3.391 0 40 HGAB COc1ccc(-c2csc3nc(SCCN4CCOCC4)nc(N)c23)cc1 31810192 UCCAIRAFHRWDMV-UHFFFAOYSA-N 402.545 3.373 0 40 HGAB CCCS(=O)(=O)c1ncc(Cl)c(C(=O)Oc2ccc(Br)cc2)n1 32623384 GOMNNBSKEYJATJ-UHFFFAOYSA-N 419.684 3.295 0 40 HGAB O=C(NCc1ccccc1Cn1ccnc1)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 32860079 RLMIDNBDEOBRIA-NRFANRHFSA-N 420.488 3.239 0 40 HGAB CC(C)[C@@H](NS(=O)(=O)c1ccccc1)C(=O)Nc1nc2c(s1)CCCCC2 32885727 KXQTWOAHCTYGNS-QGZVFWFLSA-N 407.561 3.354 0 40 HGAB O=C(CNC(=O)c1ccc(Cl)cc1Cl)NCc1ccc(-c2ccn[nH]2)cc1 32933052 VVLOOSJZPJQAAM-UHFFFAOYSA-N 403.269 3.430 0 40 HGAB C[C@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 36627988 LEOLTTKVPZYLBA-QRWLVFNGSA-N 416.499 3.028 0 40 HGAB CN(CCC(=O)Nc1ccnn1C1CCCC1)Cc1ccccc1N1CCOCC1 40025019 MQDCMJYEYYXOQD-UHFFFAOYSA-N 411.550 3.295 0 40 HGAB O=C(Nc1ccc(Cl)cn1)[C@H]1CCCN(C(=O)c2cc3ccccc3oc2=O)C1 40148922 HHVOHYKSCPDTFJ-AWEZNQCLSA-N 411.845 3.332 0 40 HGAB C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1 44885875 GZTMJNHBOHEONC-CQSZACIVSA-N 415.446 3.428 0 40 HGAB COc1ccc(NC(=O)Cn2cccc(-c3nc(-c4ccc(F)cc4)no3)c2=O)cc1 49002395 OCCKYPWBKQKPSU-UHFFFAOYSA-N 420.400 3.352 0 40 HGAB CCCn1c(SCC(=O)Nc2ccccc2C(=O)OC)nc2ccsc2c1=O 57425165 SXNXSYZNZJEPNT-UHFFFAOYSA-N 417.512 3.385 0 40 HGAB COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1C(=O)c1cc(Cl)ccn1 57671479 PEGNMGKMKFNDHY-INIZCTEOSA-N 404.850 3.055 0 40 HGAB COc1ccc(-c2cn(CC(=O)Nc3cccc(C)c3)nc2N2CCOCC2)cc1 62006914 NPCVGFKOYSTMQI-UHFFFAOYSA-N 406.486 3.342 0 40 HGAB O=C(NCc1cn(-c2ccccc2)nc1-c1ccncc1)C(=O)Nc1ccc(F)cc1 64305830 SAFUHDZYDFVPCO-UHFFFAOYSA-N 415.428 3.328 0 40 HGAB Cc1nc(CN(C)CC(=O)NC[C@@H](c2ccccc2Cl)N2CCCC2)cs1 65301488 AJRZGEKUMVBVHB-IBGZPJMESA-N 406.983 3.490 0 40 HGAB CCOc1ccc(Nc2ncccc2C(=O)N2CCN(C[C@@H]3CCCO3)CC2)cc1 70006550 VAVYQGWLYYLJLG-FQEVSTJZSA-N 410.518 3.161 0 40 HGAB C[C@H]1CC=CC[C@@H]1COC(=O)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1 71826313 UUNWPPXBDOEBAS-GOEBONIOSA-N 412.939 3.281 0 40 HGAB COc1cccc(C(=O)N(C)C[C@@H](O)COc2ccc(C(F)(F)F)cc2)c1OC 72310405 HIQKILVWEOWHLY-CQSZACIVSA-N 413.392 3.235 0 40 HGAB CN(CC(=O)Nc1ccc([C@H]2NC(=O)c3cccnc3N2C)cc1)Cc1ccccc1 72341154 UPWQTROJLCCSMB-QFIPXVFZSA-N 415.497 3.031 0 40 HGAB Cc1csc(Nc2cccc([C@@H]3CCCN3C(=O)Cn3c(C)cc(C)nc3=O)n2)n1 72375464 DHDWDRABPCHSGI-KRWDZBQOSA-N 424.530 3.127 0 40 HGAB O=C(NC1CCN(CC2(c3ccc(Cl)cc3)CCC2)CC1)c1nc2ncccn2n1 72393392 FPGVFDUGERNVQO-UHFFFAOYSA-N 424.936 3.094 0 40 HGAB CCOc1cccc2c1OCC(C(=O)Nc1nc(-c3c[nH]c(C(N)=O)c3)cs1)=C2 78517682 BWXKOPZJNABRRC-UHFFFAOYSA-N 410.455 3.050 0 40 HGAB O=C1C[C@@H](C(=O)N2CCOc3cccc(F)c32)CN1c1ccccc1Br 79103193 QDJIIFPKAXDYBN-GFCCVEGCSA-N 419.250 3.367 0 40 HGAB O=C(c1ccc2ncccc2c1)N1CCC[C@@]2(COCCN(c3cccnc3)C2)C1 96076459 MSURNKRJIDQHMJ-DEOSSOPVSA-N 402.498 3.389 0 40 HGAB CN1C[C@H](NCc2ccc(C(F)(F)F)cc2)CCC[C@@H](C(=O)NC2CC2)CC1=O 96113405 MNUMNUAAZMKHLO-CRAIPNDOSA-N 411.468 3.091 0 40 HGAB biogenic,in-vitro Cc1ccc(CS(=O)(=O)N2CC[C@]3(CC(=O)N(c4ccc(F)cc4)C3)C2)cc1 96238773 LEHMDYCRVMZFLV-NRFANRHFSA-N 402.491 3.093 0 40 HGAB CCS(=O)(=O)[C@@](Cl)(I)[C@H](O)c1ccc(Cl)cc1 96520111 ZYZLDMNGTFYMIE-ZJUUUORDSA-N 409.072 3.136 0 40 HGAB O=C(CN1C(=O)C[C@H](c2ccccc2F)C1=O)Nc1ccc(OC(F)(F)F)cc1 101444912 OZOSXDMZZAHMAH-CQSZACIVSA-N 410.323 3.206 0 40 HGAB CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=NN21 103532037 YWTQOLURXZNQEK-NMLBUPMWSA-N 419.456 3.320 0 40 HGAB CCc1cccc(C)c1NC(=O)CN1C(=O)C(=O)N([C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)C1=O 104673271 QFSHKYMSEBEEIE-MXSMSXNCSA-N 411.502 3.111 0 40 HGAB Cc1ccc(CCCNC(=O)[C@@H](C)N(c2ccc(F)c(F)c2)S(C)(=O)=O)cc1 220458529 BWNPOJNRXDJGPW-OAHLLOKOSA-N 410.486 3.177 0 40 HGAB COc1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)c1 223279297 JDWPKDMXEUHNTN-YADHBBJMSA-N 421.570 3.415 0 40 HGAB Cc1ccc(N(CC(=O)NCCOc2ccccc2C(C)C)S(C)(=O)=O)c(C)c1 223755793 DPZCJEDUPHSLQY-UHFFFAOYSA-N 418.559 3.388 0 40 HGAB Cc1ccc(C)c(OCCNC(=O)CN(c2cccc(Cl)c2C)S(C)(=O)=O)c1 223992065 KHDWTZQMRFLVEF-UHFFFAOYSA-N 424.950 3.226 0 40 HGAB COC(=O)c1cc(OC)c(OC)cc1N(C)S(=O)(=O)c1ccc2ccccc2c1 225067752 TYRVHGNQUHFDAY-UHFFFAOYSA-N 415.467 3.469 0 40 HGAB Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)N[C@@H](C)C(C)C)Oc3ccc(C)cc32)cc1 225219182 VYHICGBWFIZNGV-UWJYYQICSA-N 416.543 3.420 0 40 HGAB C[C@H]1CCCCN1S(=O)(=O)c1ccc(-n2nc3cc(N)c(Cl)cc3n2)cc1 226305660 PZTKJIQBQDRKCX-LBPRGKRZSA-N 405.911 3.219 0 40 HGAB Cc1ccc2c(c1)[C@H](NC(=O)[C@H](c1ccccc1)N(C)S(C)(=O)=O)CC(C)(C)O2 260767040 KXENHVFKHXSZQX-QUCCMNQESA-N 416.543 3.346 0 40 HGAB O=C1CC[C@]2(c3ccccc3)CCN(S(=O)(=O)C3CC3)[C@@H]2CN1C1CCCC1 306134456 NOFLISKGTOLRSA-IFMALSPDSA-N 402.560 3.056 0 40 HGAB COc1ccccc1-c1ccc2c([C@@H]3CN(Cc4ccco4)CCN3C)nnn2c1 306135047 OFWANVKVVSYQPO-NRFANRHFSA-N 403.486 3.487 0 40 HGAB Cc1cc(C)cc(NC(=O)C(=O)Nn2c(CCC(=O)O)ccc2-c2ccccc2)c1 408562451 PQOYCWKOCDGKSQ-UHFFFAOYSA-N 405.454 3.498 0 40 HGAB COc1ccc(OC)c(NC(=O)c2cccc(N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)c2)c1 408671873 LTJUOPNCZQZLPM-QZTJIDSGSA-N 406.438 3.412 0 40 HGAB Cc1ccc(Cl)cc1N[C]1NC(=O)/C(=C/c2ccc(OCC(N)=O)cc2)S1 408810868 KNJQKIHJOPOKFI-UHFFFAOYSA-N 402.883 3.276 0 40 HGAB C[C@@H](NC(=O)CSc1nnc([C@@H](C)NC(=O)c2ccccc2)n1C)c1ccccc1 409138365 APECUFRFZMWBLP-HZPDHXFCSA-N 423.542 3.276 0 40 HGAB COC(=O)c1csc(NC(=O)CCc2nc(O)c3c4c(sc3n2)CCC4)c1 532013023 GTSITWGVJZGVCT-UHFFFAOYSA-N 403.485 3.305 0 40 HGAB CCS(=O)(=O)NCC(=O)N1CCC[C@H]1c1nc(-c2ccccc2)c(C(C)C)o1 536190327 DQFCTMDEZZRBSO-INIZCTEOSA-N 405.520 3.068 0 40 HGAB Cc1cc(C)cc(C(=O)N2CCc3ccc(C(=O)NCc4cccnc4)n3CC2)c1 585111030 UFWUWQOLEQLAME-UHFFFAOYSA-N 402.498 3.128 0 40 HGAB O=C(CCc1ccccc1Br)N1CCC(Oc2ncc(F)cn2)CC1 1179854091 DNJSISWAXSFRNH-UHFFFAOYSA-N 408.271 3.381 0 40 HGAB Cc1cccc(O[C@H](C)C(=O)N2CCC(Cn3nc4c(cc3=O)CCCC4)CC2)c1C 1775965910 JYWBCHCOTHPYPI-LJQANCHMSA-N 423.557 3.445 0 40 HGAB O=C(c1cccc(-n2cccn2)c1)N1CC[C@H](Oc2ccncc2Br)C1 1775972468 HOEKOACNUGRZHA-INIZCTEOSA-N 413.275 3.323 0 40 HGAB CCN1CCN(C(=O)c2cnc[nH]2)C[C@H](Cc2ccc(-c3ccccc3F)cc2)C1=O 1848354128 LSRWPPRHPPNTFI-IBGZPJMESA-N 420.488 3.379 0 40 HGAB Cc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)on3)cc2)c(C)c1 810546 GFEUVABDMQOHMF-UHFFFAOYSA-N 415.471 3.418 0 40 HGAB CCOC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H]2c3ccc(OC)c(OC)c3C(=O)N12 2092681 GCGONUUWQBSKDO-JXFKEZNVSA-N 406.438 3.218 0 40 HGAB biogenic Nn1c(SCC(=O)Nc2ccccc2Br)nnc1-c1ccc(F)cc1 2393924 OBPUOMDLUULWET-UHFFFAOYSA-N 422.283 3.291 0 40 HGAB O=C(CSc1nnc(-c2ccncc2)n1Cc1ccccc1)NCc1ccco1 2630996 UDAIXCZJKNCLBP-UHFFFAOYSA-N 405.483 3.390 0 40 HGAB COCCn1c(COc2ccccc2-c2ccccc2)nnc1S[C@@H](C)C(N)=O 3496602 ZCDFATSHJJYPIS-HNNXBMFYSA-N 412.515 3.136 0 40 HGAB CCOc1ccc([C@H]2[C@@H](C(=O)OC(C)C)C(=O)C[C@@](C)(O)[C@@H]2C(=O)OC(C)C)cc1 4142677 UMLFZCYFMXRADE-IHFIDZABSA-N 420.502 3.028 0 40 HGAB Cc1ccc(-n2c(=O)c3oc4ccccc4c3n(CC(=O)NC(C)(C)C)c2=O)cc1 4359072 UYHVRYIQPATSLD-UHFFFAOYSA-N 405.454 3.122 0 40 HGAB Cc1ccc(CN(CC(=O)NCCCOC(C)C)S(=O)(=O)c2ccccc2)cc1 4699003 ABYYEZMJVQSPMF-UHFFFAOYSA-N 418.559 3.117 0 40 HGAB C[C@@H](CCc1ccccc1)NC(=O)Cn1nnc(-c2cccc(C(F)(F)F)c2)n1 4932774 RAVQGSSDFODPRF-AWEZNQCLSA-N 403.408 3.496 0 40 HGAB O=C(CCS(=O)(=O)c1ccc(Cl)cc1)Nc1nnc(-c2ccc(F)cc2)o1 5189479 DAPIOPZYJYALQW-UHFFFAOYSA-N 409.826 3.332 0 40 HGAB CC(=O)c1cccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)c1 5298918 VPSAHSWZGLLVKJ-CQSZACIVSA-N 412.920 3.396 0 40 HGAB COc1cc2[nH]c(C(=O)N3CCN(c4ccccc4F)CC3)cc2c(OC)c1OC 5305182 LPFUWURXJCELCI-UHFFFAOYSA-N 413.449 3.295 0 40 HGAB O=C(c1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 6510766 GHEOGDSVIUZACE-UHFFFAOYSA-N 405.328 3.202 0 40 HGAB COc1ccc(C(=O)N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)cc1OC 6570962 JDISMRFRLZDIBU-UHFFFAOYSA-N 416.346 3.362 0 40 HGAB CC(C)(C)c1ccc([C@@]2(C)NC(=O)N(Cc3cc(=O)n4ccsc4n3)C2=O)cc1 7063100 IPIHIHPYCGHURH-OAQYLSRUSA-N 410.499 3.021 0 40 HGAB CNC(=O)c1cccc(NC(=O)COc2ccccc2C(=O)Nc2ccccc2)c1 7896226 VOMHZFAIURJFRF-UHFFFAOYSA-N 403.438 3.316 0 40 HGAB O=C(NCc1cccc(Cl)c1)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 8077061 ALYZJPLJMYYGJC-HNNXBMFYSA-N 410.898 3.196 0 40 HGAB COc1ccc(CCN(C)C(=O)CNC(=O)Cc2cccc3ccccc23)cc1OC 8346744 LKTZPRNLDUQRPT-UHFFFAOYSA-N 420.509 3.217 0 40 HGAB Cc1cc(Br)ccc1NC(=O)CNC(=O)c1cncn1-c1ccccc1 8706516 CLRJDTQSXXXLPO-UHFFFAOYSA-N 413.275 3.312 0 40 HGAB O=C(NCC1(c2ccccc2)CC1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 8981270 JMBIUXMIBNEGIM-UHFFFAOYSA-N 410.495 3.220 0 40 HGAB COc1ccc(N2C[C@@H](c3nc(-c4ccc5c(c4)OCO5)no3)CC2=O)cc1OC 9318226 ZVBWUGQJBODYMF-ZDUSSCGKSA-N 409.398 3.003 0 40 HGAB Cn1c(COc2ccccc2Cl)nnc1SCc1nnnn1-c1ccccc1 9583059 XACWNWJHJAHERI-UHFFFAOYSA-N 413.894 3.316 0 40 HGAB COc1cc(OC)cc(C(=O)NCCn2nc(-c3ccc(Cl)cc3)ccc2=O)c1 9660951 LYYSOXDWUZJHRH-UHFFFAOYSA-N 413.861 3.011 0 40 HGAB CCOC(=O)C1CCN(C(=O)NCc2ccc(COCC(F)(F)F)cc2)CC1 9756683 ZKIYYRVXBHHAED-UHFFFAOYSA-N 402.413 3.250 0 40 HGAB NC(=O)c1c(NC(=O)CCCS(=O)(=O)c2ccccc2)sc2c1CCCCC2 9912069 SEEKAZKRVSJVQC-UHFFFAOYSA-N 420.556 3.309 0 40 HGAB CCN(CCCNS(=O)(=O)c1ccc(N2CCCC2=O)cc1)c1ccccc1 12528258 AUPAIVLAZOHOIG-UHFFFAOYSA-N 401.532 3.008 0 40 HGAB Cc1ccccc1CCNC(=O)c1ccccc1NC(=O)CSc1nccn1C 12540403 PDQRSFIQBZZHBE-UHFFFAOYSA-N 408.527 3.432 0 40 HGAB COc1ccccc1NC(=O)CCN1CCN(c2ccc(C(F)(F)F)cn2)CC1 12754056 LNMVMJBBWGANPZ-UHFFFAOYSA-N 408.424 3.260 0 40 HGAB CCS(=O)(=O)N1CCC(C(=O)N[C@H](c2ccccc2)c2ccc(C)cc2)CC1 12787359 OQVWQEOKVDREID-OAQYLSRUSA-N 400.544 3.262 0 40 HGAB O=C(COC(=O)c1cc(Br)ccc1Cl)Nc1ccc2[nH]c(=O)[nH]c2c1 12804595 LIIHPWFAFBHKAV-UHFFFAOYSA-N 424.638 3.068 0 40 HGAB Cn1ccc(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OCc2ccccc2)n1 12982301 CHIDVIGRVBXIEV-FQEVSTJZSA-N 417.469 3.378 0 40 HGAB COC(=O)C1=C(C)N=c2s/c(=C/C=C/c3ccccc3)c(=O)n2[C@H]1c1cccs1 13603267 DOXFZFMZOSOEDP-KFWCEAGKSA-N 422.531 3.135 0 40 HGAB Cn1c(CCCNC(=O)[C@@H]2CCCO2)nc2cc(NC(=O)c3cccs3)ccc21 13690843 GXFRZGZPSUGEPB-KRWDZBQOSA-N 412.515 3.115 0 40 HGAB O=C(c1cccnc1)N1CCc2ccc(NS(=O)(=O)Cc3ccc(F)cc3)cc21 13697170 KDLUILRCHUVSHS-UHFFFAOYSA-N 411.458 3.366 0 40 HGAB CCCS(=O)(=O)N1CCCc2cc(NC(=O)c3c(OC)cccc3OC)ccc21 17286782 UUBOJRHSCGCGTO-UHFFFAOYSA-N 418.515 3.449 0 40 HGAB NC(=O)[C@@]1(Cc2ccc(-c3cccnc3)cc2)CCCN(C(=O)c2cccnc2)C1 19340669 ZHIHLZPYMNDWMW-XMMPIXPASA-N 400.482 3.094 0 40 HGAB Fc1ccccc1N1CCN([C@@H](c2ccncc2)c2nnnn2C2CCCC2)CC1 19349886 YKVPPEAEMXDOPZ-NRFANRHFSA-N 407.497 3.234 0 40 HGAB CCN1CCN(C(=O)c2ccnn2C)C[C@H](Cc2ccc(-c3cccs3)cc2)C1=O 19527435 PMUMELVQFKZTIZ-IBGZPJMESA-N 422.554 3.312 0 40 HGAB COc1ccc(CNC(=O)c2cc([C@H]3CCCN(Cc4ccncc4)C3)no2)cc1 19555866 FHKBBSTYQSTPEC-IBGZPJMESA-N 406.486 3.388 0 40 HGAB Cc1nc2ccccn2c1CC(=O)N1CCC[C@H](c2ccc(-c3cnn(C)c3)cn2)C1 19689249 HALUNKSCCPNIJE-IBGZPJMESA-N 414.513 3.387 0 40 HGAB CN(C)c1ncc(-c2ccc(C(N)=O)cc2)c([C@H]2CCCN2C(=O)C2CCCC2)n1 19689429 VGLUEPHEHAQXJY-LJQANCHMSA-N 407.518 3.162 0 40 HGAB CCn1cnc2sc(C(=O)Nc3cnn(Cc4cccc(F)c4)c3)c(C)c2c1=O 19717367 VJRXIGCNFYGPJR-UHFFFAOYSA-N 411.462 3.423 0 40 HGAB COC(C)(C)C(=O)N1CC[C@@H](c2nc(C)c3c(n2)N(Cc2ccccc2)C(=O)CC3)C1 19739010 PAOWYFOKLZZPAL-GOSISDBHSA-N 422.529 3.005 0 40 HGAB Cc1cc(C)c(S(=O)(=O)N(CC(N)=O)c2cccc(C(F)(F)F)c2)c(C)c1 20923488 FAVJSTWTMAVCNK-UHFFFAOYSA-N 400.422 3.311 0 40 HGAB CC(C)c1n[nH]c(SCC(=O)N(C)CC(=O)Nc2ccccc2C(F)(F)F)n1 21238132 KNTKYNBGKRDWDG-UHFFFAOYSA-N 415.441 3.136 0 40 HGAB Cc1c(C(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)cnn1-c1ccccc1 21974723 ZCGBSEJZPNPYCT-GOSISDBHSA-N 404.470 3.342 0 40 HGAB COCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(C)cc2F)n2c1nc1ccccc12 23411238 BVKGGFDHAQQWDX-LJQANCHMSA-N 410.449 3.437 0 40 HGAB COc1ccccc1NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1 24612934 OBHIDDQKFKWMHH-UHFFFAOYSA-N 406.479 3.015 0 40 HGAB CCCn1c(S[C@@H](C)C(=O)N2CCNC2=O)nc2ccc(C(F)(F)F)cc21 24773439 AANWELSEXDDVDM-JTQLQIEISA-N 400.426 3.498 0 40 HGAB Cc1nn(Cc2ccc(C(=O)NCCCn3ccnc3)cc2)c(C)c1Br 27970246 ODOYLQDDNBMRLS-UHFFFAOYSA-N 416.323 3.327 0 40 HGAB C[C@H]1CN(C(C)(C)CNC(=O)NCCc2ccc(C(F)(F)F)cc2)C[C@H](C)O1 31028504 SBCPCLSIMQJXIT-GJZGRUSLSA-N 401.473 3.435 0 40 HGAB C[C@@H]1CN(c2ccc(C(=O)N[C@H](C)c3ccc4c(c3)OCCCO4)cn2)C[C@@H](C)O1 32284189 VZHZLHHBFUNQCF-BRWVUGGUSA-N 411.502 3.348 0 40 HGAB Cc1cc(N2C[C@@H](C(=O)Nc3c(C)nn(C)c3C)CC2=O)ccc1Br 32455739 SUKHMQPESSQETB-ZDUSSCGKSA-N 405.296 3.099 0 40 HGAB CCS(=O)(=O)c1ccc2oc([C@H]3CCN(Cc4ccc(C(=O)O)cc4)C3)nc2c1 35446876 CRSNFYCPHFUTCP-INIZCTEOSA-N 414.483 3.309 0 40 HGAB biogenic,in-vitro COC(=O)[C@H](c1ccccc1Cl)N1CCN(C(=O)c2ccc(F)c(F)c2)CC1 36391784 MNWHPVJBXHRGCH-SFHVURJKSA-N 408.832 3.290 0 40 HGAB COc1ccc(CCN2C[C@@H](C(=O)N[C@H](c3ccccc3)C3CC3)CC2=O)cc1OC 40024453 UPDWNXMQMWDPAX-GBXCKJPGSA-N 422.525 3.362 0 40 HGAB C[C@@H](Cc1ccccc1Cl)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1 40112006 UBJUQZFKEQFWFY-KXBFYZLASA-N 406.935 3.241 0 40 HGAB O=C(CCCn1cnc2ccccc2c1=O)NCc1ccc(N2CCCCCC2)nc1 48263545 OYENZTLASAJLQX-UHFFFAOYSA-N 419.529 3.269 0 40 HGAB Cn1c(SCC(=O)N(CCC(N)=O)Cc2ccccc2)nc2cc(Cl)ccc21 48342738 UCJJPHNOVXGAOB-UHFFFAOYSA-N 416.934 3.223 0 40 HGAB Cn1ccnc1CN1CCC(C(=O)NCc2cccnc2Oc2cccc(F)c2)CC1 58100820 OJRHAGJTOOYBKF-UHFFFAOYSA-N 423.492 3.275 0 40 HGAB CC(C)(C)NC(=O)[C@@H]1CSCN1C(=O)/C=C/c1ccccc1OC(F)(F)F 60348040 UKVNAJWVZNEUSS-XEHSLEBBSA-N 402.438 3.415 0 40 HGAB O=C(NC[C@@H]1CCCO1)c1cc2ccc(O)cc2o/c1=N\c1ccc2c(c1)OCO2 67298535 NMOJXMLYQZATBI-DYYXWGBJSA-N 408.410 3.008 0 40 HGAB CCCc1cc(N2CCC([C@H]3CCCCCN3C(=O)C3CC3)CC2)n2ncnc2n1 69969533 GKRRVNQXAACOJN-HXUWFJFHSA-N 410.566 3.474 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2ccc(N3CCN(C)CC3)nc2)cc1 72216560 KUYALWMIGPRJGL-OAQYLSRUSA-N 414.575 3.058 0 40 HGAB COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N2CCC(C(=O)c3ccc(O)cc3)CC2)c1C 72236019 UAQZIYDHPZPAPS-HNNXBMFYSA-N 412.486 3.290 0 40 HGAB Cc1cc(N2C[C@@H](C(=O)N3CCc4cnccc43)CC2=O)ccc1Br 72288286 ACITUUHVASTCBX-AWEZNQCLSA-N 400.276 3.095 0 40 HGAB CCOc1cc2c(cc1CN1CCC3(CC1)Nc1ccccc1C1=NCCN13)OCO2 72327154 RPUMTFOHZNITJE-UHFFFAOYSA-N 420.513 3.294 0 40 HGAB CCN(CC)S(=O)(=O)N1CCC[C@H](c2ccc(Nc3cccc(C)n3)cn2)C1 72353308 MBKKJYKFKXEEIO-KRWDZBQOSA-N 403.552 3.295 0 40 HGAB Cc1cc(Nc2nc(C)cs2)cc([C@@H]2CCCN2C(=O)Cn2nc(C)ccc2=O)n1 72372607 ZPSOJIQPHBXSAZ-SFHVURJKSA-N 424.530 3.127 0 40 HGAB COc1ccc(CC(=O)N2CCC[C@H](c3nnc(-c4ccccn4)o3)C2)cc1OC 72390017 XUSSPYVVEJBPBT-INIZCTEOSA-N 408.458 3.098 0 40 HGAB CC(C)C[C@@H](C(=O)OCc1ncn(-c2ccccc2)n1)N1C(=O)c2ccccc2C1=O 95457948 MSMYHRWDSQUTDC-IBGZPJMESA-N 418.453 3.021 0 40 HGAB Cc1cc(NC(=O)c2ccccc2S(=O)(=O)C(F)F)ccc1N1CCCC1=O 96098368 FBLHOGAMDLQKAF-UHFFFAOYSA-N 408.426 3.370 0 40 HGAB O=C([C@H]1C[C@@H]2C=C[C@@H]1C21CC1)N1CCC[C@H]([C@@H]2C[C@H](C(F)F)n3ncnc3N2)C1 100151319 RJUQHNSGOGRRGE-KBCNZALWSA-N 403.477 3.109 0 40 HGAB COc1ccc(-c2cc(C(F)(F)F)nc(S[C@@H]3CC(=O)[C@@H]4OC[C@@H]3O4)n2)cc1 101066104 FVQZTNDUBJENLU-SQWLQELKSA-N 412.389 3.346 0 40 HGAB CCOc1ccc(N([C@@H](CC)C(=O)Nc2ccc(OC)cc2)S(C)(=O)=O)cc1 220663914 PPJBOYYPFXXACC-IBGZPJMESA-N 406.504 3.277 0 40 HGAB COc1ccc(C)cc1N(CC(=O)NCc1cccc2ccccc12)S(C)(=O)=O 222839490 FNWRTXBJEIXHKN-UHFFFAOYSA-N 412.511 3.239 0 40 HGAB Cc1cc(S(=O)(=O)N(C)C)ccc1OCC(=O)Nc1ccc(F)c(Cl)c1 223049667 XKCSKOVKGDFBMC-UHFFFAOYSA-N 400.859 3.055 0 40 HGAB COc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)cc1 223279534 PXHMPDDDKLBOJN-YADHBBJMSA-N 421.570 3.415 0 40 HGAB Cn1c(=O)oc2cc(S(=O)(=O)Nc3cccc(Br)c3)c(Cl)cc21 223343958 ZJJIUZPWTADDFC-UHFFFAOYSA-N 417.668 3.348 0 40 HGAB Cc1cc(C)c([C@H](C)NC(=O)CCN2C(=O)c3ccccc3S2(=O)=O)cc1C 223474772 DFTWFCDQAJCTPE-INIZCTEOSA-N 400.500 3.024 0 40 HGAB COc1cccc(CNS(=O)(=O)c2ccc(SC)c(C(=O)N3CCCC3)c2)c1 223889904 WQLPYCFPKALBSA-UHFFFAOYSA-N 420.556 3.132 0 40 HGAB O=C(NCC1=CCCCC1)C1CCN(S(=O)(=O)CCCc2ccccc2)CC1 224218595 MTDKTXBRNULXDL-UHFFFAOYSA-N 404.576 3.278 0 40 HGAB CN(c1cccc(C(=O)NCc2ccncc2)c1)S(=O)(=O)c1ccc(Cl)cc1 224270566 LWJHPXYPSCYUSV-UHFFFAOYSA-N 415.902 3.490 0 40 HGAB Cc1cc(Cl)ccc1N(CCCC(=O)NCCOc1ccccc1)S(C)(=O)=O 224767365 SIZDBCDNAYRAGU-UHFFFAOYSA-N 424.950 3.390 0 40 HGAB CNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)Cc1cccc(C)c1 225470002 HZUPUBIMXGAZFU-OAHLLOKOSA-N 403.320 3.463 0 40 HGAB O=S(=O)(NCC1CCN([C@H]2CCSC2)CC1)c1ccc(C(F)(F)F)cc1 225573920 KPDAXHPJXSDGOO-HNNXBMFYSA-N 408.511 3.201 0 40 HGAB COc1cc(N2CCCC[C@@H]2C)nc(NC(=S)NCc2ccc3c(c2)OCO3)n1 226011558 MHEJUAFWYITNBG-ZDUSSCGKSA-N 415.519 3.079 0 40 HGAB COc1ccc(-c2noc([C@H](C)O)c2C(=O)N(C)CCc2ccccn2)cc1OC 253406481 UNLVDUDGQHAQOG-AWEZNQCLSA-N 411.458 3.122 0 40 HGAB biogenic,in-vitro CCc1[nH]ncc1C(=O)N1CCC([C@]2(C)CN(c3ccc(F)cc3)C(=O)O2)CC1 257308896 TYQMIOFUEJINAA-NRFANRHFSA-N 400.454 3.379 0 40 HGAB O=C(C1CCOCC1)N1CC[C@@H](c2ccnc(Nc3cc(C(F)(F)F)ccn3)n2)C1 257334967 YIAUMFUOQLBPQL-CQSZACIVSA-N 421.423 3.377 0 40 HGAB Cc1nc(C(=O)N2C[C@@H]3c4cc(-c5ccco5)ccc4S(=O)(=O)[C@H]3C2)cs1 306124351 BNHOHLLQZKIHFC-KDOFPFPSSA-N 400.481 3.107 0 40 HGAB COc1ccc(NC(=O)c2nnc3n2C[C@H]2CN(Cc4ccc(C)s4)C[C@H]2C3)cc1 306142680 XGGQXCZGKZNZGJ-HZPDHXFCSA-N 423.542 3.213 0 40 HGAB CCCNS(=O)(=O)c1ccc(OCC(=O)Nc2cccc(F)c2)c(Cl)c1 408559910 XDKDSERKYNETRI-UHFFFAOYSA-N 400.859 3.185 0 40 HGAB O=C(CN1C(=O)S/C(=C/c2cccc(F)c2)C1=O)Nc1ccc2c(c1)OCCO2 409195061 PAIYEMLYULHRQW-RQZCQDPDSA-N 414.414 3.272 0 40 HGAB CN(C)S(=O)(=O)c1c[nH]c(C(=O)N2CCC(c3cccc4ccccc34)CC2)c1 519914770 ASRQHXHAGGFCDX-UHFFFAOYSA-N 411.527 3.438 0 40 HGAB COc1ccc(C(=O)Nc2ccccc2)cc1S(=O)(=O)NCc1cccs1 806175 COOCSZOVRBHJMJ-UHFFFAOYSA-N 402.497 3.488 0 40 HGAB CC(=O)c1ccc(NC(=O)CSc2nnc(Cn3cnc4ccccc43)o2)cc1 873752 MHNHKQCEKINCQJ-UHFFFAOYSA-N 407.455 3.401 0 40 HGAB C[C@](O)(CS(=O)(=O)Cc1ccccc1)C(=O)Nc1cccc(C(F)(F)F)c1 1388643 IERKEXQSHCCPAG-KRWDZBQOSA-N 401.406 3.010 0 40 HGAB CC[C@]1(c2cccc(Cl)c2)NC(=O)N(CC(=O)N2c3ccccc3C[C@H]2C)C1=O 2632897 KJSJDEFWYDKYJZ-JLCFBVMHSA-N 411.889 3.475 0 40 HGAB Cn1cc(NC(=O)c2cc(Br)cs2)c(C(=O)NCc2ccco2)n1 2731594 AUHCPGIWIWPARC-UHFFFAOYSA-N 409.265 3.019 0 40 HGAB Cc1noc(C)c1COC(=O)[C@H](C)NS(=O)(=O)c1ccc(Cl)c(Cl)c1 3364570 BUHTUQPZZSKQOG-VIFPVBQESA-N 407.275 3.008 0 40 HGAB COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NCc3ccco3)c2)cc1 3479124 FYABYNQGEXNYSD-UHFFFAOYSA-N 400.456 3.043 0 40 HGAB O=C(COC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O)c1ccc(F)cc1 3620304 HYGOCMFCLUIVQS-UHFFFAOYSA-N 424.405 3.243 0 40 HGAB CN(C[C@H]1CCCO1)S(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)cc2)cc1 4325605 DTSVLFHYBQZFFB-QGZVFWFLSA-N 408.907 3.392 0 40 HGAB COc1ccc(-c2noc(CN(C)C(=O)COc3ccc(C)c(C)c3)n2)cc1OC 4943789 WZIIYCQZFMJWCS-UHFFFAOYSA-N 411.458 3.408 0 40 HGAB Cn1c(CNS(=O)(=O)c2ccc(Cl)cc2)nnc1SCc1ccccc1 5001695 LAQPROLOSRCPPW-UHFFFAOYSA-N 408.936 3.239 0 40 HGAB O=C(c1ccc(Cl)c(N2CCCCS2(=O)=O)c1)N1CCc2ccccc2C1 5135866 JBTRYTCFZVCPFQ-UHFFFAOYSA-N 404.919 3.469 0 40 HGAB Cc1ccc(S(=O)(=O)N2CN(C[C@@H]3CCCO3)c3nc4ccccc4nc32)cc1 5156421 LPMRTSCAVXZPJR-INIZCTEOSA-N 410.499 3.090 0 40 HGAB COc1cc(CNCCCN2CCOCC2)ccc1OCc1ccc(Cl)nc1 5271646 SEDKARUOVQLPLU-UHFFFAOYSA-N 405.926 3.135 0 40 HGAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)OCC(=O)Nc1ccc(C(N)=O)cc1 6056895 VGKHRYFAHMOABE-JTQLQIEISA-N 411.241 3.042 0 40 HGAB O=C(CSc1nc2ccccc2o1)N(C1CCCCC1)[C@H]1CCS(=O)(=O)C1 6061082 WKSZFVUUWYCSKF-HNNXBMFYSA-N 408.545 3.268 0 40 HGAB COC(=O)CCSc1nc2ccccc2nc1NS(=O)(=O)c1ccccc1 6507621 MJYRKRZKEGQIPA-UHFFFAOYSA-N 403.485 3.086 0 40 HGAB CCOc1ccc(Nc2nc(-c3c(N)n(CC(C)C)c(=O)n(C)c3=O)cs2)cc1 6590852 UYWNFTJWMPMWLY-UHFFFAOYSA-N 415.519 3.051 0 40 HGAB COc1cc(OC)c2c(C)c(CC(=O)N3CCN(c4ccccc4)CC3)c(=O)oc2c1 6661111 KISYFEVBZGAMRG-UHFFFAOYSA-N 422.481 3.010 0 40 HGAB CCOCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@@H]1c1ccc(O)c(OC)c1 6744892 QQSMWIQGMMXXFK-QFIPXVFZSA-N 423.469 3.468 0 40 HGAB COc1ccccc1-n1c(S[C@H](C)C(=O)NC(C)C)nnc1N1CCCCC1 6994222 OLHNSNANEURIEP-OAHLLOKOSA-N 403.552 3.271 0 40 HGAB Cc1nc2ncnn2c(C)c1CCC(=O)OCc1nc(-c2ccc(Cl)cc2)no1 7561730 LUTFCGDVFYNTKQ-UHFFFAOYSA-N 412.837 3.121 0 40 HGAB COc1cc(C(C)=O)ccc1OC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl 7753220 CQOIKACKQFHLKZ-UHFFFAOYSA-N 411.863 3.021 0 40 HGAB CC(C)(C)c1ccc(C(=O)NCC(=O)OCC(=O)NCCCc2ccccc2)cc1 7802039 CQNWBNUFWZPESJ-UHFFFAOYSA-N 410.514 3.006 0 40 HGAB O=C(COc1ccc(Cl)c2cccnc12)NC(=O)Nc1ccc2c(c1)OCCO2 8395519 ZVPOHKYMJLSBGZ-UHFFFAOYSA-N 413.817 3.387 0 40 HGAB COc1ccccc1NC(=O)C1=C(C)Nc2nc(SC)nn2[C@@H]1c1cccnc1 8739769 BDHKUUFDHDEFOY-QGZVFWFLSA-N 408.487 3.331 0 40 HGAB COc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3CC(C)C)c(OC)c1 8840855 DUHOJLFHDFKVGR-UHFFFAOYSA-N 418.515 3.440 0 40 HGAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)NC2CCCCCC2)cc1Cl 9191339 RHMIUKNNQNSONU-UHFFFAOYSA-N 402.944 3.198 0 40 HGAB COc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccc(C)cc4)ccn3n2)cc1OC 9321254 ZIKGWQZNOHCITJ-UHFFFAOYSA-N 418.453 3.127 0 40 HGAB COc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1nc(C)nc2sc(C)c(C)c12 9635032 SKSIDVMSOVSCPM-UHFFFAOYSA-N 420.516 3.384 0 40 HGAB Cc1cccc(C)c1-n1nnnc1SCC(=O)N1c2ccccc2NC(=O)C[C@@H]1C 9866896 JYXDKHPYBJFSKH-HNNXBMFYSA-N 422.514 3.135 0 40 HGAB COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)Cc1c(C)nn(C)c1C 10864776 SJOPJRHZGSSWKF-UHFFFAOYSA-N 422.485 3.488 0 40 HGAB CCOC(=O)Cc1csc(NC(=O)c2cnn(Cc3ccccc3Cl)c2)n1 11172998 YRIFTICSRDKTSZ-UHFFFAOYSA-N 404.879 3.399 0 40 HGAB NS(=O)(=O)c1cccc(NC(=O)c2cc(-c3ccco3)nn2-c2ccccc2)c1 11766987 QIBIAOFAYFFYRC-UHFFFAOYSA-N 408.439 3.032 0 40 HGAB Cc1cc(-c2cnc(N3CCCC3)nc2C2CCN(C(=O)C(F)(F)F)CC2)on1 12119423 SGUFCSQGSQMAGY-UHFFFAOYSA-N 409.412 3.309 0 40 HGAB CCn1c2cc(C)sc2c2cnn(CC(=O)NCc3ccccc3OC)c(=O)c21 12142706 IRGMMECNGMCPOD-UHFFFAOYSA-N 410.499 3.066 0 40 HGAB Cc1nccn1CCCC(=O)N1CCC[C@@H](c2nc3ccccc3cc2C(N)=O)C1 12221683 DIGMIXHNZCEOIZ-GOSISDBHSA-N 405.502 3.025 0 40 HGAB COc1ccc(CNc2nc(-c3nonc3NCc3ccc(OC)cc3)no2)cc1 12420737 BLYPIXMQSZHKKN-UHFFFAOYSA-N 408.418 3.361 0 40 HGAB O=S(=O)(c1ccc2ccccc2c1)N1CCN(c2ccc(-c3ccco3)nn2)CC1 12443532 MFBJLAJDJNGVIA-UHFFFAOYSA-N 420.494 3.401 0 40 HGAB COc1ccc(CCNC(=O)[C@@H]2CCCN2C(=O)Nc2ccc(C)cc2)cc1OC 12480712 ACZMCTWABLFQHH-IBGZPJMESA-N 411.502 3.367 0 40 HGAB CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CCC1CCCCC1 12747612 DRYLUIYZOIQOON-UHFFFAOYSA-N 424.563 3.405 0 40 HGAB Cc1ccc(NC(=O)CN2CCC(C(=O)N3CCCC3)CC2)cc1Br 12770956 LXKFVGCJKWGHHB-UHFFFAOYSA-N 408.340 3.030 0 40 HGAB Cc1ccc([C@H](CN2CCOCC2)NS(=O)(=O)c2ccc(Cl)s2)cc1 12793037 CIXYGCNQBDGTRE-HNNXBMFYSA-N 400.953 3.062 0 40 HGAB O=C(CSc1nnc(-c2ccc(F)cc2)n1C[C@@H]1CCCO1)NCc1ccco1 12888956 POZRDNQTQQNAOZ-KRWDZBQOSA-N 416.478 3.265 0 40 HGAB Cc1ccc(C(=O)CCC(=O)N2CCN(CC(=O)Nc3cccc(C)c3C)CC2)cc1 12986532 RYHOBJIBAOZHRU-UHFFFAOYSA-N 421.541 3.358 0 40 HGAB CN(Cc1cc2cccc3c2n(c1=O)CCC3)C(=S)Nc1cccc2nonc12 13730414 TZPPFYFLPKTLTK-UHFFFAOYSA-N 405.483 3.313 0 40 HGAB COc1ccc([C@@H](CNC(=O)C(=O)Nc2cccnc2)c2c[nH]c3ccccc23)cc1 13731931 YTHDBDWWLWRVMD-HXUWFJFHSA-N 414.465 3.458 0 40 HGAB O=C(NCc1ccc(N2CCCC2=O)cc1)c1cccc(I)c1 15614309 FKYDSVFFRFKQCE-UHFFFAOYSA-N 420.250 3.348 0 40 HGAB CC(C)NC(=O)CSC1=Nc2ccccc2C2=N[C@@H](Cc3ccccc3)C(=O)N12 15783460 AIBSGIPNFZXLOZ-SFHVURJKSA-N 406.511 3.146 0 40 HGAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)CC(=O)N(Cc1ccco1)CC(F)(F)F 16699025 PRSARNVVZSPZAC-HNNXBMFYSA-N 421.423 3.444 0 40 HGAB CCOC(=O)Cc1csc(NC(=O)COc2ccc(Br)c(C)c2)n1 16995954 VABAKGBSZLGFQB-UHFFFAOYSA-N 413.293 3.337 0 40 HGAB CC(=O)Nc1ccc(N2C(=O)C[C@@H](NCCc3c[nH]c4ccc(Cl)cc34)C2=O)cc1 17094152 DJDMICDWJVQSJI-HXUWFJFHSA-N 424.888 3.244 0 40 HGAB Cc1cccc(C)c1NC(=O)CNC(=O)CCn1c(=O)oc2cc(Cl)ccc21 17857405 VWXQDCFTJZKNBW-UHFFFAOYSA-N 401.850 3.010 0 40 HGAB Cc1ccccc1-n1nc(C)c(CC(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)c1O 19237570 NQNHQTWFTDXEFI-AWEZNQCLSA-N 406.442 3.095 0 40 HGAB CCc1cc(C(F)(F)F)c2c([C@@H]3CCCN(C(=O)[C@H](C)n4cncn4)C3)noc2n1 19521933 VDHWGMLKNBOHFW-NWDGAFQWSA-N 422.411 3.363 0 40 HGAB COc1ccc(N2C[C@H](C(=O)N3CCC[C@H]3c3cc(OC)ccc3OC)CC2=O)cc1 19556308 FUGJBKKOCDVABN-IERDGZPVSA-N 424.497 3.429 0 40 HGAB CCOc1cccc2sc(NC(=O)C[C@H]3NC(=O)N(c4ccccc4)C3=O)nc12 19717253 HLUSAKGLWLXWCV-CYBMUJFWSA-N 410.455 3.149 0 40 HGAB Cc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(=O)Nc1cc(F)ccc1F 20021865 UAHPECIGGJMCAX-UHFFFAOYSA-N 410.442 3.075 0 40 HGAB COc1ccc(S(=O)(=O)N(C)c2ccc3sc(C(N)=O)cc3c2)cc1Cl 20448092 IRFROHPKACWLHG-UHFFFAOYSA-N 410.904 3.487 0 40 HGAB COc1cccc(CN(C)C(=O)CSCC(=O)Nc2cccc(C)c2)c1OC 21914194 UQVPWQCRQRKBCJ-UHFFFAOYSA-N 402.516 3.343 0 40 HGAB Cc1nn(C)c(C)c1CCC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 22134420 CXKPXTYNIDEZQG-UHFFFAOYSA-N 418.563 3.173 0 40 HGAB Cc1ccccc1N(CC(=O)N[C@@H]1CC(C)(C)Oc2ccccc21)S(C)(=O)=O 22326847 DLMUKNGHMOQDRF-QGZVFWFLSA-N 402.516 3.180 0 40 HGAB CCOc1ccc(CCCNC(=O)CN(c2ccccc2CC)S(C)(=O)=O)cc1 22329920 WGPSSPMUQMCKSF-UHFFFAOYSA-N 418.559 3.163 0 40 HGAB CCOc1cc(-c2nn(CN3CCOCC3)c(=S)o2)cc(OCC)c1OCC 25315235 OZEFQVFGPQYHFW-UHFFFAOYSA-N 409.508 3.358 0 40 HGAB COc1ccc(-c2noc(CCC(=O)N3CCC[C@H]3c3ccncc3)n2)cc1OC 25590492 WGLADOJBEYNRSC-KRWDZBQOSA-N 408.458 3.445 0 40 HGAB Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(=O)OC[C@H]3CCCO3)CC2)c1C 26462478 JXRWOIYXFSIIBP-LJQANCHMSA-N 409.548 3.043 0 40 HGAB COc1ccc([C@@H](CNC(=O)[C@H](C)Sc2ccccc2)N2CCOCC2)cc1 27669959 JDUHDFYUQRGNQL-LAUBAEHRSA-N 400.544 3.366 0 40 HGAB CCCN1CCN(C(=O)Cn2nc(C(F)(F)F)c(Br)c2C2CC2)CC1 27937313 SKKVWLPXIPXRQJ-UHFFFAOYSA-N 423.277 3.096 0 40 HGAB O=C(c1ccc(OCc2ccncc2)cc1)N1CCN(C(=O)c2ccccc2F)CC1 29785942 UFJVHDKYMWLTKS-UHFFFAOYSA-N 419.456 3.398 0 40 HGAB Cc1ccc(N2C[C@@H](C(=O)N3CCC[C@H]3c3ccc4c(c3)OCCO4)CC2=O)cc1 32987974 NQKHHBFXVAALJZ-ICSRJNTNSA-N 406.482 3.483 0 40 HGAB CCOc1ccc(-c2nnc(SCC(=O)NCCc3nc4ccccc4[nH]3)o2)cc1 33004642 ALFKOKHUGWVDRV-UHFFFAOYSA-N 423.498 3.463 0 40 HGAB O=C(c1cnc2ccc(Cl)cc2c1S(=O)(=O)c1ccccc1)N1CCOCC1 33249343 JQWZKNASQQZDKK-UHFFFAOYSA-N 416.886 3.193 0 40 HGAB CC1=C2C[C@H]3[C@H](C[C@]2(C)CCC1)OC(=O)[C@@H]3CN1CCN(C(=O)c2ccco2)CC1 33925140 UFAAOAUAAMIQQW-WOPVWSFHSA-N 412.530 3.496 0 40 HGAB C[C@@H]1C[C@@H](C)CN(Cc2csc(NC(=O)C3CCN(C(=O)C4CC4)CC3)n2)C1 40037706 YMRQDVDTDGEMJU-HUUCEWRRSA-N 404.580 3.208 0 40 HGAB O=C(CCCc1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 40140155 XHYJOYCNWXBZBF-UHFFFAOYSA-N 422.934 3.322 0 40 HGAB COc1cc(/C=C/C(=O)N2CCN(C(=O)c3ccc(C)c(OC)c3)CC2)cc(OC)c1 40145818 GPXCTNVQSIERRP-SOFGYWHQSA-N 424.497 3.019 0 40 HGAB O=C(Nc1ccc(N2CCOCC2)nc1)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 55080044 BPLNLKMXIKZJAH-INIZCTEOSA-N 406.490 3.206 0 40 HGAB C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)CS(=O)(=O)[C@@H](C)c1nc(C2CC2)no1 58148304 SJJORITZCJIMJR-GJZGRUSLSA-N 417.531 3.250 0 40 HGAB C[C@H](NCC(=O)NC(=O)Nc1ccc2c(c1)OCCO2)c1cccc(C(F)(F)F)c1 58172494 OHLSVLPOLDUVFC-LBPRGKRZSA-N 423.391 3.476 0 40 HGAB O=C(Nc1cc(-c2n[nH]c(=O)[nH]2)cc(C(F)(F)F)c1)[C@H]1Cc2cc(Cl)ccc2O1 65591073 CGOHCUBXJAOHGO-CQSZACIVSA-N 424.766 3.379 0 40 HGAB COc1ccc(NC(=O)Cn2nnc(C(=O)Nc3c(C)cccc3C)c2C)cc1OC 67322928 WCXGOVZOPBLTNM-UHFFFAOYSA-N 423.473 3.112 0 40 HGAB COCCC(=O)N1CCCC[C@@H]1c1nc(C)c2c(n1)N(CC1CCCCC1)C(=O)C2 72371861 HLHVIBQTWZJELD-LJQANCHMSA-N 414.550 3.345 0 40 HGAB O=C(CC[C@@H]1NC(=O)c2ccccc2NC1=O)Nc1cccc(OC(F)(F)F)c1 95471359 WRNZQYHMDAYIMB-HNNXBMFYSA-N 407.348 3.055 0 40 HGAB Cc1n[nH]c(-c2ccc(Cl)cc2)c1CC(=O)N1CCn2c(nnc2C(F)(F)F)C1 95478632 SVHQBRDIWJIZBM-UHFFFAOYSA-N 424.814 3.234 0 40 HGAB O=C1[C@H]2CC=CC[C@H]2C(=O)N1CN1CCN(C(c2ccccc2)c2ccccc2)CC1 95949538 PFCQTBJQZLDYPM-ZRZAMGCNSA-N 415.537 3.302 0 40 HGAB CCN1CC[C@@]2(CN(Cc3cccnc3)CC23CCN(Cc2ccco2)CC3)C1=O 96036453 ODKNXYJSYWTXCH-XMMPIXPASA-N 408.546 3.011 0 40 HGAB CCCN(CCC)C(=O)c1ncn2c1CN(CC1CC1)S(=O)(=O)c1ccccc1-2 96147441 ZBVIZTSQFVJBCN-UHFFFAOYSA-N 416.547 3.049 0 40 HGAB Cc1cccc(N(CN2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@H]3C2=O)C(=O)C(F)(F)F)c1C 100395341 PNWHRTXUMWLGCL-ZJMHZOEWSA-N 418.415 3.209 0 40 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O=C(O)COc1ccc(/C=C2\SC(=O)N(CCOc3ccc(F)cc3)C2=O)cc1 409051066 HYXUHFLOLLMNKD-BOPFTXTBSA-N 417.414 3.404 0 40 HGAB COCCCNC(=O)CN1C(=O)S/C(=C\c2ccc(Cl)cc2Cl)C1=O 409213827 TZUAKGDFQNOXGQ-QPEQYQDCSA-N 403.287 3.182 0 40 HGAB COc1cc(C(=S)N2CCOCC2)ccc1OCC(=O)Nc1cccc(C)c1C 409233075 DFBMZKMISTWRLJ-UHFFFAOYSA-N 414.527 3.337 0 40 HGAB Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccco3)cc2)cc1C 409387419 QDSJUSXDQHNHHM-UHFFFAOYSA-N 414.483 3.392 0 40 HGAB O=C(Cc1c(F)cc(F)cc1F)NC[C@@H]1OCCc2cn(Cc3ccccc3)nc21 585112328 OQPKMILUXGEIER-FQEVSTJZSA-N 415.415 3.321 0 40 HGAB CCCc1nc(N2CCc3ccccc3C2)ncc1C(=O)N(CC(=O)O)CC(C)C 585266565 DUCNJAKJKLZQBD-UHFFFAOYSA-N 410.518 3.175 0 40 HGAB COC(C)(C)C(=O)N1CCC[C@]2(CCCCc3ccccc3OCCN(C)C2=O)C1 643561401 JJNRVGGLVXTKNK-XMMPIXPASA-N 416.562 3.284 0 40 HGAB O=C(CC1CCCCC1)NC1CCC(C(=O)Nc2ccc(-n3cncn3)cn2)CC1 682968907 ORJUIFQDLMXHES-UHFFFAOYSA-N 410.522 3.246 0 40 HGAB CCC[C@H](O)[C@H](CO)NC(=O)c1sc(NC(=O)c2ccccc2Cl)cc1C 1570210757 FZRSNQPMLCKYTO-GJZGRUSLSA-N 410.923 3.214 0 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COC(C)(C)C(=O)N1CCC[C@H](c2nc(C)c3c(n2)N(Cc2ccccc2)C(=O)C3)C1 19743793 ARXINPRUBIVANZ-SFHVURJKSA-N 422.529 3.005 0 40 HGAB O=C(Nc1ccc(F)cc1)c1ccc(=O)n(CC(=O)N2CCC3(CCCCC3)C2)c1 19751406 CZZBHYKCXRNPRT-UHFFFAOYSA-N 411.477 3.423 0 40 HGAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cc(F)ccc2C)cc1Cl 20016277 KSVKOFIXOIFTMM-LBPRGKRZSA-N 414.886 3.492 0 40 HGAB CCN(CC(=O)Nc1ccccc1C(F)(F)F)S(=O)(=O)c1ccc(F)cc1 21224677 PAIHCSDJABNMJS-UHFFFAOYSA-N 404.385 3.494 0 40 HGAB CCOC(=O)c1ccc(NC(=O)COc2cc(C)nc(N3CCCCCC3)n2)cc1 21360855 BIUIATWBLNCZCB-UHFFFAOYSA-N 412.490 3.360 0 40 HGAB CC[C@@H](NC(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O)c1ccc(C)c(C)c1 22368426 PHIDWQPSAYBFAY-GOSISDBHSA-N 418.515 3.066 0 40 HGAB CCCCOCCCNC(=O)[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(C)C 22698814 SKCWOEUWANWOSX-OAQYLSRUSA-N 420.575 3.466 0 40 HGAB CCOc1cccc2sc(N(CCN3CCOCC3)C(=O)c3ccco3)nc12 22998241 NPVKYSPKDSWQMJ-UHFFFAOYSA-N 401.488 3.267 0 40 HGAB Cc1nc(-c2ccccc2)sc1C(=O)N1CCCN(CC(=O)NC(C)(C)C)CC1 23240810 MCDFUYKHFYFQKW-UHFFFAOYSA-N 414.575 3.181 0 40 HGAB COc1ccccc1N1CCN(S(=O)(=O)c2ccccc2OC(F)(F)F)CC1 24256579 WQGNCHBOMNGMAZ-UHFFFAOYSA-N 416.421 3.105 0 40 HGAB O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)NCCCOCc1ccccc1 25680820 BAVQCGBKLPFYQS-UHFFFAOYSA-N 402.800 3.244 0 40 HGAB O=C(O)c1c[nH]c2cc(OCCOc3ccc(Br)cc3)ccc2c1=O 27710386 GKSJNZMDNQSZMN-UHFFFAOYSA-N 404.216 3.447 0 40 HGAB CC[C@@H](C)N(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2ccn(C)c2)CC1 28024432 IEGLHTIQTOZQCY-GOSISDBHSA-N 417.575 3.253 0 40 HGAB Cc1noc(C)c1CSCC(=O)N1CCC(NC(=O)c2ccc(F)cc2)CC1 29093963 GIPQNTOMIXYPKM-UHFFFAOYSA-N 405.495 3.085 0 40 HGAB COC(=O)C[C@@H](NC(=O)NCc1ccc2c(c1)OCCO2)c1ccccc1Cl 29323243 HZQAVCTULDHSRB-MRXNPFEDSA-N 404.850 3.215 0 40 HGAB CS(=O)(=O)N(CC(=O)Nc1ccc(N2CCCC2)cc1)c1cccc(Cl)c1 31474291 MKYGDDJZHXUMQG-UHFFFAOYSA-N 407.923 3.345 0 40 HGAB CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1cccc(OC[C@H]2CCCO2)c1 32776867 HZJCIYOMZMSRBZ-OFNKIYASSA-N 421.497 3.412 0 40 HGAB Cc1nc(-c2cc(C(=O)NCc3ccccc3CN3CCOCC3)n(C)c2)cs1 32841668 SYEXXBHGSOGHEC-UHFFFAOYSA-N 410.543 3.219 0 40 HGAB Cc1ccccc1[C@H](OC[C@H](O)Cn1nnc2ccccc2c1=O)c1ccccc1 32854264 KUOSGMFIVABBON-AUSIDOKSSA-N 401.466 3.267 0 40 HGAB C[C@H](C(=O)Nc1ccccc1-c1ccccc1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 33039545 ARWARIRIZMKRDT-GCJKJVERSA-N 407.514 3.004 0 40 HGAB COc1cccc(CNC(=O)c2nsc(C(=O)NC[C@H](C)c3ccccc3)c2N)c1 33171928 USNNWCXZSUIKSI-AWEZNQCLSA-N 424.526 3.197 0 40 HGAB COc1cccc(CC(=O)NCCN2C(=O)S/C(=C/c3ccc(F)cc3)C2=O)c1 33472122 FJHKETMTCAPBCV-LDADJPATSA-N 414.458 3.230 0 40 HGAB CCCCN(C(=O)C1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1)C1CC1 36391945 LQVHKCNVKPVIRQ-UHFFFAOYSA-N 406.548 3.081 0 40 HGAB Cc1cc(C(=O)NCc2c(C)nn(C)c2C)c2c(C)nn(Cc3ccccc3)c2n1 36616610 LOSVLAKIXAPTCW-UHFFFAOYSA-N 402.502 3.377 0 40 HGAB CN1CCCN(C(=O)c2ccc3c(c2)NC(=O)CS3)c2nc3ccccc3nc21 39980490 ZUELMMAJEFZSLR-UHFFFAOYSA-N 405.483 3.161 0 40 HGAB O=C(c1ccc2c(c1)OCCO2)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 40030703 BBUCUAKDJIWKDJ-UHFFFAOYSA-N 423.437 3.020 0 40 HGAB COc1ccccc1-c1c2c(=O)n(Cc3cccc(F)c3)ccc2nc2ncnn12 40398205 LXLWBJLAHMRNBK-UHFFFAOYSA-N 401.401 3.302 0 40 HGAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)CCNC(=O)c1ccc(C(C)(C)C)cc1 41097290 BXRBICMYKCVENA-HXUWFJFHSA-N 410.514 3.005 0 40 HGAB O=C(c1cccs1)N1CCN(c2ccc(-c3noc(C(F)(F)F)n3)cn2)CC1 44097229 BSLKOAZECBIGHZ-UHFFFAOYSA-N 409.393 3.174 0 40 HGAB CCc1cc2c(N3CCC(C(=O)NCCCN(CC)CC)CC3)ncnc2s1 45802247 WFKQPKHBZANLQK-UHFFFAOYSA-N 403.596 3.318 0 40 HGAB COc1cc(NC(=O)C2CCN(c3ccc(Cl)nn3)CC2)cc(OC)c1OC 46570302 NBZNZWJEUBSSNF-UHFFFAOYSA-N 406.870 3.011 0 40 HGAB COC(=O)[C@H](c1ccccc1Cl)N1CCN([C@H](C)c2nc(C3CC3)no2)CC1 48260906 PWLKKKMIEXCDJE-DYVFJYSZSA-N 404.898 3.193 0 40 HGAB COc1ccc(NC(=O)Cn2c(Nc3cccc(F)c3)nc(C)cc2=O)cc1OC 57506280 BVNYXOYQACYTMX-UHFFFAOYSA-N 412.421 3.090 0 40 HGAB COc1ccc(CCNC(=O)CN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 58201172 QJYBUWNBNMWZIH-UHFFFAOYSA-N 421.463 3.195 0 40 HGAB COc1ccc(-c2cn(CC(=O)N(C)c3cccc(C)c3)nc2N2CCOCC2)cc1 62006922 ATIIWMFOZFWZSO-UHFFFAOYSA-N 420.513 3.367 0 40 HGAB COc1ccc(-c2noc(CN3C(=O)COc4ccc(Cl)cc43)n2)c(OC)c1 64999069 MYGWSGOXQDBOKE-UHFFFAOYSA-N 401.806 3.333 0 40 HGAB COc1ccccc1-c1noc([C@@H](C)NC(=O)CNC(=O)c2ccccc2Cl)n1 72304638 UTOAAJDFFSXHJR-GFCCVEGCSA-N 414.849 3.006 0 40 HGAB Cc1ccc(F)c(NC(=O)CN2N=C(c3nc(-c4ccccc4)no3)CCC2=O)c1 72329638 IQZKLVDZYVVWKA-UHFFFAOYSA-N 407.405 3.149 0 40 HGAB CCn1nc(CC(=O)NC2(c3ccc4c(c3)OCO4)CCCC2)c2ccccc2c1=O 72346544 YOPFZFQIQQDEMW-UHFFFAOYSA-N 419.481 3.273 0 40 HGAB Cc1nc([C@H]2CCCN2S(=O)(=O)N(C)C)nc2c1CCCN2CC1CCCCC1 72373777 BASVPTLPGSCRON-LJQANCHMSA-N 421.611 3.061 0 40 HGAB O=C(N[C@@H](CC(=O)N1CCC(n2ccnn2)CC1)c1ccccc1)c1ccccc1 95431510 JDVQDJBGHICADK-NRFANRHFSA-N 403.486 3.003 0 40 HGAB Cc1csc([C@H](NC(=O)Nc2ccc(F)c(S(=O)(=O)NC3CC3)c2)C2CC2)n1 95460707 FBTZBGCBXYHHCV-MRXNPFEDSA-N 424.523 3.304 0 40 HGAB Cc1cc(C(=O)NCCC2CCN(C)CC2)ccc1NS(=O)(=O)c1ccccc1 95472015 PKCFPCDJUSZICT-UHFFFAOYSA-N 415.559 3.258 0 40 HGAB CCS(=O)(=O)c1ccc(CCC(=O)Nc2ccncc2N2CCCCC2)cc1 96011170 CUCOKTYXPDBFSM-UHFFFAOYSA-N 401.532 3.437 0 40 HGAB CCN1CC[C@@]2(CN(CC(C)C)CC23CCN(C(=O)c2cccc(C)c2)CC3)C1=O 96144324 GNBZIARQVCCLHJ-RUZDIDTESA-N 411.590 3.428 0 40 HGAB O=C1N[C@@]2(C[C@H]3CC[C@H]2C[C@H]3C(=O)NC[C@@H]2Cc3ccccc3O2)Nc2ccccc21 100117989 DRHNZLKKBDZOQB-NKUINJNMSA-N 417.509 3.094 0 40 HGAB COc1ccc(CN2[C@H]3CC[C@H]2c2c(nc(C)nc2NC[C@H]2CCCO2)C3)cc1CO 100222997 JFZBOIGZVMQSDI-ZVDOUQERSA-N 424.545 3.139 0 40 HGAB O=C(COC(=O)c1cccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)c1)c1ccc(F)cc1 101226690 ZXDKABSUMMRFPJ-PBFVBANWSA-N 419.408 3.177 0 40 HGAB Cc1cc(N2N=N[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]32)ccc1Br 101260631 ILDGNJMSYRLJCN-GJZGRUSLSA-N 403.211 3.394 0 40 HGAB Cc1c(Cl)cccc1N1C(=O)[C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@H]2C1=O 106535485 QYKFPSKFNDXJHN-LVBDUCALSA-N 421.884 3.080 0 40 HGAB COC(=O)C[C@H](NC(=O)[C@@H]1CCCC[C@@H]1C(=O)O)c1ccccc1Br 199410533 ZEALBCNCJJHGDT-XUJVJEKNSA-N 412.280 3.061 0 40 HGAB COc1ccc(-c2noc(CNC(=O)COc3cc(C)cc(C)c3C)n2)c(OC)c1 218970071 VGUDCOWQAVDFDY-UHFFFAOYSA-N 411.458 3.374 0 40 HGAB COc1ccc(N([C@H](C)C(=O)Nc2cc(C)ccc2C)S(C)(=O)=O)cc1OC 220224960 MRGVZNKVTGAIGB-OAHLLOKOSA-N 406.504 3.114 0 40 HGAB CCCCN1C(C)=NS(=O)(=O)c2cc(C(=O)NCc3ccccc3OC)ccc21 223118076 MNKKUSRGPWIINQ-UHFFFAOYSA-N 415.515 3.352 0 40 HGAB Cn1c(=O)oc2cc(S(=O)(=O)Nc3ccccc3Br)c(Cl)cc21 223343880 JMIWCRUVYNHPOO-UHFFFAOYSA-N 417.668 3.348 0 40 HGAB C[C@@H](C(=O)Nc1nnc(-c2ccccc2)s1)N(c1ccc(F)cc1)S(C)(=O)=O 224215726 SZOAOFLEGRFHDT-LBPRGKRZSA-N 420.491 3.137 0 40 HGAB CCC(=O)N1CCc2cc(S(=O)(=O)NCCSCc3ccccc3F)ccc21 225006185 ZBEWRRYWWCFMPG-UHFFFAOYSA-N 422.547 3.337 0 40 HGAB COC(=O)CSc1nnc(NC(=O)CSCc2ccccc2Cl)s1 225288590 QWQYUEAQXXTBMV-UHFFFAOYSA-N 403.938 3.329 0 40 HGAB CCCn1c(=O)sc2cc(S(=O)(=O)NCCCc3cccc(OC)c3)ccc21 225732075 DMNNANREQOKEDS-UHFFFAOYSA-N 420.556 3.393 0 40 HGAB CCCn1c(=O)sc2cc(S(=O)(=O)NCCCN(C)c3ccccc3)ccc21 225734235 IZUGGGFJWOYKMB-UHFFFAOYSA-N 419.572 3.278 0 40 HGAB CC[C@H](NC(=O)[C@H](C)Oc1ccc(N(C)S(C)(=O)=O)cc1)c1ccc(OC)cc1 260796070 OZORYQPMDACXCN-YWZLYKJASA-N 420.531 3.126 0 40 HGAB CN([C@H](C(=O)NCCOc1ccccc1C(C)(C)C)c1ccccc1)S(C)(=O)=O 260943132 UETHHFVYQCOIQV-FQEVSTJZSA-N 418.559 3.112 0 40 HGAB Cc1ccn(-c2ccc(N3CCN(Cc4csc(-c5ccccc5)n4)CC3)nn2)n1 301349338 UZZDVNVTPUNDGH-UHFFFAOYSA-N 417.542 3.416 0 40 HGAB CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3cc(Cl)ccc3C)CC2)cc1C 408620278 IZWCSWLCARBGEL-UHFFFAOYSA-N 421.950 3.426 0 40 HGAB NC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc(-c2ccccc2)cc1 409000140 DVUSYAGUPUSPSD-NRFANRHFSA-N 417.465 3.463 0 40 HGAB CCOC(=O)C1CCN(C(=O)CSCc2ccc(Br)cc2)CC1 409409385 OMLGOMHQKQIBDG-UHFFFAOYSA-N 400.338 3.484 0 40 HGAB CC1(C)CC[C@H]2C[C@@H](NC(=O)NC3CCC4(CC3)NC(=O)NC4=O)c3cccc1c32 501568947 RYZJYQFRHQURFI-ICJIVWEMSA-N 410.518 3.106 0 40 HGAB O=C(O)[C@H]1c2ccccc2CCN1C(=O)c1cn(-c2cccc(C(F)(F)F)c2)nn1 540704969 HZAZULUIHRHAIQ-QGZVFWFLSA-N 416.359 3.110 0 40 HGAB C[C@H](Oc1ccccc1)C(=O)N1CC[C@H](c2ccccc2Cl)S(=O)(=O)CC1 575415085 ZNLIMVMJHJCAQY-HNAYVOBHSA-N 407.919 3.496 0 40 HGAB C[C@@H]1c2nc(C(=O)NCc3ccco3)cn2CCN1C(=O)c1cn(C)c2ccccc12 585096645 XVYSETBKCBIQIS-OAHLLOKOSA-N 417.469 3.115 0 40 HGAB Brc1ccc2nc(N3CCC(COc4cnccn4)CC3)ncc2c1 1889201659 ONAXSSNBRJRIEG-UHFFFAOYSA-N 400.280 3.478 0 40 HGAB Cc1ccc(N(CC(=O)NCc2ccncc2)S(=O)(=O)c2ccc(C)cc2)cc1 832104 PADVASIWHFEFSR-UHFFFAOYSA-N 409.511 3.210 0 40 HGAB COc1ccc(CCN2CC(=O)N3[C@@H](Cc4c([nH]c5ccccc45)C3(C)C)C2=O)cc1 2106826 FKEBGNQYRQATGB-NRFANRHFSA-N 417.509 3.250 0 40 HGAB biogenic Cc1ccc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)s2)cc1 3227474 JFDKPMXQGYFAND-UHFFFAOYSA-N 402.501 3.016 0 40 HGAB Cc1ccc(N2C[C@@H](NC(=O)N3CCN(c4ccc(F)cc4)CC3)CC2=O)cc1C 4272599 MCNDWPFFTDUOIE-IBGZPJMESA-N 410.493 3.080 0 40 HGAB Cc1ccccc1NC(=O)C(=O)NCCc1csc2nc(-c3ccccc3C)nn12 4375637 PQUFLNKVNGPODW-UHFFFAOYSA-N 419.510 3.372 0 40 HGAB Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H]1C(=O)Nc1cccc(C(F)(F)F)c1 4785188 OMDGJEVUFHADDB-CQSZACIVSA-N 417.409 3.102 0 40 HGAB O=C(CSc1nccn(-c2ccc(F)c(Cl)c2)c1=O)NCc1ccccc1 4852974 IZKWQPBIACKREP-UHFFFAOYSA-N 403.866 3.434 0 40 HGAB O=C(NC1CCCC1)[C@H](c1ccncc1)N(C(=O)c1csnn1)c1ccccc1 4857834 NMTUQILWNGKTGJ-IBGZPJMESA-N 407.499 3.380 0 40 HGAB CCCOc1cccc(C(=O)N(Cc2ccc(OC)cc2)[C@@H]2CCS(=O)(=O)C2)c1 5085188 RUPFYTBQTWKHGG-LJQANCHMSA-N 417.527 3.314 0 40 HGAB O=C(Cn1nc(-c2ccc(Br)cc2)ccc1=O)NCCc1ccccc1 5398032 HGAMVJFOISUWKA-UHFFFAOYSA-N 412.287 3.032 0 40 HGAB Cc1cc(C)n(-c2nc(NCCN(C)C)c3c4c(sc3n2)COC(C)(C)C4)n1 5563145 QELWKQFMKISWQR-UHFFFAOYSA-N 400.552 3.319 0 40 HGAB O=C(CCNS(=O)(=O)c1ccccc1C(F)(F)F)NCCCc1ccccc1 5937592 JUUHXGJHNNWODF-UHFFFAOYSA-N 414.449 3.123 0 40 HGAB O=C(O)CN1C(=O)S/C(=C/c2cccn2-c2cccc(Br)c2)C1=O 6045166 DGXBAHHHABGJKD-MDWZMJQESA-N 407.245 3.361 0 40 HGAB CC(C)CCC[C@@H](C)n1c(S[C@H](C)C(=O)NC(N)=O)nc2ccccc2c1=O 6164710 BHHKKRVVXWNAOD-ZIAGYGMSSA-N 404.536 3.459 0 40 HGAB COc1cccc(OC)c1C(=O)Nc1ccccc1N1CCN(C(=O)C(C)C)CC1 6306562 XFHPVKLDRNGDPI-UHFFFAOYSA-N 411.502 3.261 0 40 HGAB COc1cc2ccccc2cc1C(=O)OCC(=O)N1CCN(c2ccccc2)CC1 6365777 KDKWTOHXUJUKDU-UHFFFAOYSA-N 404.466 3.354 0 40 HGAB COc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1I 6553295 VEOLEZZIHNEQCA-UHFFFAOYSA-N 403.241 3.409 0 40 HGAB O=C(Cn1c(=O)n(C2CCCCC2)c(=O)c2ccccc21)N1CCc2ccccc21 6661365 UGMZVRGXUHCGLU-UHFFFAOYSA-N 403.482 3.258 0 40 HGAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)c1ccc(C(C)(C)C)cc1 6984006 RHXHIUFEUJUSOQ-LJQANCHMSA-N 417.575 3.429 0 40 HGAB COc1ccc(CN(C)CC(=O)N(C)c2ccccc2C(=O)NCc2ccco2)cc1 7682640 ZNTSBNNGAPRJIH-UHFFFAOYSA-N 421.497 3.313 0 40 HGAB COc1cc(OC)c(OC)cc1CNS(=O)(=O)c1cc(Cl)ccc1Cl 7704800 BIZRYQQXGXNWON-UHFFFAOYSA-N 406.287 3.498 0 40 HGAB CCSc1nnc(NC(=O)[C@@H](CCSC)NC(=O)c2cccc(C)c2)s1 7814184 RPNGAQRKELROHD-CYBMUJFWSA-N 410.590 3.449 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)CNc2cc(C)ccc2OC)c1 7972987 ILNPHHIBYPTGRR-UHFFFAOYSA-N 419.547 3.393 0 40 HGAB COc1ccc(C(=O)COC(=O)COc2cccc3c2OC(C)(C)C3)c(OC)c1 8193788 KSFRYHQXFYCOAC-UHFFFAOYSA-N 400.427 3.222 0 40 HGAB O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)c1cnc2ccccc2n1 8753462 ARXVVGHYKDVWRH-UHFFFAOYSA-N 416.890 3.320 0 40 HGAB COC(=O)c1ccc(C(=O)N[C@H]2CCCc3c2cnn3-c2cc(F)cc(F)c2)nc1 11816745 VXEDOXDHXQMWHR-KRWDZBQOSA-N 412.396 3.140 0 40 HGAB COc1cccc(CNC(=O)[C@H]2C[C@H]3CC[C@@H]2C[C@@]32NC(=O)c3ccccc3N2)c1 12142518 JXXRWKOEMMKPSW-XBFDIVRLSA-N 405.498 3.299 0 40 HGAB COc1ccc(CC(=O)N2CCC(c3nc(O)cc(-c4cccnc4)n3)CC2)cc1 12234400 OWTZEEGCNNWOGL-UHFFFAOYSA-N 404.470 3.202 0 40 HGAB COc1cccc(Nc2nnc(SCC(=O)NC(=O)c3cccs3)s2)c1 12532753 QAJMLCUFTYAHOW-UHFFFAOYSA-N 406.514 3.401 0 40 HGAB O=C(NCCN1C(=O)S/C(=C\c2ccc(OC(F)F)cc2)C1=O)c1cccnc1 12774045 ISEOJSOFQBDPOD-GDNBJRDFSA-N 419.409 3.149 0 40 HGAB COc1cccc([C@@H](CNC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)N2CCCC2)c1 12789055 XANMSWZUNXRGOP-NZQKXSOJSA-N 421.541 3.310 0 40 HGAB CCCSc1nnc(NC(=O)CSc2nnnn2-c2cccc(C)c2)s1 13566151 VJNVQOQEVHBJJB-UHFFFAOYSA-N 407.550 3.055 0 40 HGAB COC(=O)N1CCCc2cc(NC(=O)c3ccc(OC)c(OC)c3OC)ccc21 15083716 IRAZNCWKLOJCCK-UHFFFAOYSA-N 400.431 3.484 0 40 HGAB O=C(NCCn1nc(-c2ccc(F)cc2)ccc1=O)c1ccc(Br)cc1 17156571 VWFXGYSUYGCNFY-UHFFFAOYSA-N 416.250 3.242 0 40 HGAB CCS(=O)(=O)N1CCCc2ccc(NC(=O)c3cc(OC)cc(OC)c3)cc21 17316245 ARZRSORGLIPKFK-UHFFFAOYSA-N 404.488 3.058 0 40 HGAB CC(C)[C@@H](NC(=O)c1ccc2c(c1)C[C@@H](C)O2)c1cc(=O)[nH]c(-c2ccccn2)n1 19497989 ALZIUNJOOPXMOE-SPLOXXLWSA-N 404.470 3.282 0 40 HGAB CCC[C@]1(C(=O)OC)N[C@@H](c2ccc(C)cc2)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]21 19501981 BUKVTGGQIXTIFJ-PDFGSZSQSA-N 420.509 3.465 0 40 HGAB CN1C[C@@H](C(=O)Nc2cccc(F)c2)C[C@@H]1C1CCN(C(=O)c2ccncc2)CC1 19587619 RRGQNNGSPXJTOA-GHTZIAJQSA-N 410.493 3.032 0 40 HGAB O=C(NCc1nc(Cc2ccccc2)no1)c1cnn2c(-c3ccccc3)ccnc12 19660275 DQTVZKHMOSERCZ-UHFFFAOYSA-N 410.437 3.300 0 40 HGAB CCN(CC(=O)Nc1cccc(F)c1)S(=O)(=O)c1ccc(OC)c(Cl)c1 19930130 ZAYAJUOYUHOKNX-UHFFFAOYSA-N 400.859 3.137 0 40 HGAB O=C(c1cc(-c2cccs2)on1)N(Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 21524160 BPXZWQMHGNKIGN-HNNXBMFYSA-N 402.497 3.233 0 40 HGAB O=C([C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1)N1CCc2ccccc2C1 22246322 UXGJRIKZDHXFHW-QHCPKHFHSA-N 420.534 3.161 0 40 HGAB Cc1ccc(S(C)(=O)=O)cc1C(=O)NCc1ccc(OCC(F)(F)F)cc1 22417859 LIRNFCRYXZNONX-UHFFFAOYSA-N 401.406 3.270 0 40 HGAB O=C(Cn1cnc2ccc(Br)cc2c1=O)Nc1ccc(OC(F)F)cc1 22986903 OOSZBSWEETVZRV-UHFFFAOYSA-N 424.201 3.399 0 40 HGAB C[C@H](NC(=O)CN1C(=O)N[C@]2(CCCC[C@H]2C)C1=O)c1ccc(C(F)(F)F)cc1 23150322 YWHWNNNXTGWVEF-NQCMUKECSA-N 411.424 3.383 0 40 HGAB CC(C)(C)SCCNC(=O)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1 24609765 DMCOGFAODRMENZ-UHFFFAOYSA-N 416.584 3.015 0 40 HGAB CS(=O)(=O)N(CC(=O)NCc1ccccc1)c1cc(C(F)(F)F)ccc1Cl 27570201 URHBYBCVSSSISY-UHFFFAOYSA-N 420.840 3.441 0 40 HGAB CSc1nc(C)c(CCC(=O)OCc2cc(=O)n3cc(Cl)ccc3n2)c(C)n1 28171460 JWQZXRFZTMQNSE-UHFFFAOYSA-N 418.906 3.153 0 40 HGAB CCCC[C@@H](CC)CNC(=O)CCc1nc2cc(S(N)(=O)=O)ccc2n1CCC 29707574 RITBGYYDOXWCBK-MRXNPFEDSA-N 422.595 3.359 0 40 HGAB C[C@H](NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1ccc(F)cc1 31692028 AVDGXCRGCXGWSO-INIZCTEOSA-N 404.507 3.245 0 40 HGAB COc1ccc(C(=O)Nc2ccc3c(c2)NC(=O)CO3)cc1OCc1ccncc1 32084346 NIYIBSGSVWTUDZ-UHFFFAOYSA-N 405.410 3.252 0 40 HGAB CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N(CC)CC)cc2)cc1 33737458 SEFMJWRPNOVWPR-UHFFFAOYSA-N 406.504 3.133 0 40 HGAB C[C@H]1CCN(C(=O)CN(C)Cc2nc3ccccc3c(=O)[nH]2)c2ccccc2S1 35414123 PZAVCZULRIMPGM-HNNXBMFYSA-N 408.527 3.272 0 40 HGAB Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1cccc([C@@]2(C)NC(=O)NC2=O)c1 40117789 GRYVBZJRCYMBMN-FKIZINRSSA-N 401.850 3.109 0 40 HGAB Cc1c(Cl)cccc1NC(=O)c1ccc(CS(=O)(=O)N2CCOCC2)cc1 44848887 WXVUXYADPOIWLQ-UHFFFAOYSA-N 408.907 3.063 0 40 HGAB NC(=O)C1CCN(C(=O)c2ccccc2OCc2ccccc2Br)CC1 45973046 DBYDJVWWZNQRGK-UHFFFAOYSA-N 417.303 3.366 0 40 HGAB O=C1CN(c2ccc(NC(=O)c3csc(-c4ccco4)n3)cc2Cl)CCN1 46695606 NLJSWAHEZLJCNW-UHFFFAOYSA-N 402.863 3.245 0 40 HGAB Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)N1CCC(Cc2ccccc2)CC1 48333218 RAHCMGGPNWNSGW-JOCHJYFZSA-N 407.493 3.386 0 40 HGAB C[C@H](Cc1cccc(Cl)c1)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1 48363121 SDBFDDUQBPQVIE-BEFAXECRSA-N 406.935 3.241 0 40 HGAB COc1ccc(CC(=O)O)cc1S(=O)(=O)Nc1ccc(Br)c(C)c1 54294792 AMCFNBIDAZFSOR-UHFFFAOYSA-N 414.277 3.194 0 40 HGAB COc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(C)s3)C2)cc1C 56038499 TVKPRLUJFBMJBZ-HNNXBMFYSA-N 408.545 3.413 0 40 HGAB COc1ccccc1CNCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 58158131 KPUZKCXDDUMHCP-UHFFFAOYSA-N 423.435 3.279 0 40 HGAB Cn1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(N2CCOCC2)cc1 68561884 MOKSOAIPDXZDHH-FCHUYYIVSA-N 419.554 3.434 0 40 HGAB CCSCc1nc(O)c2nnn(C3CCN(Cc4ccc(CC)o4)CC3)c2n1 72337408 WFRNLSMYAWKLAF-UHFFFAOYSA-N 402.524 3.173 0 40 HGAB CS(=O)(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cnoc2-c2ccccc2)c1 95454510 BGMLFELMDXJRTR-UHFFFAOYSA-N 412.876 3.199 0 40 HGAB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\Nc1ccc(Cl)c(C(=O)O)c1 95471520 GJINMEYXSFFBRM-JYRVWZFOSA-N 420.208 3.270 0 40 HGAB COC(=O)C[C@@H](c1oc(CSc2ccccc2F)cc(=O)c1O)c1ccnn1C 95479516 RZITUBSCKAGJJF-CYBMUJFWSA-N 418.446 3.205 0 40 HGAB O=S(=O)(Cc1cc(F)ccc1F)NCCn1nc(-c2ccncc2)cc1C1CC1 96121684 YNVSNIQNNJOHTL-UHFFFAOYSA-N 418.469 3.220 0 40 HGAB O=C(CN1CCN(Cc2c(F)cccc2Cl)CC1)Nc1ccc2nsnc2c1 96465819 HQRCIPVPPDHUKS-UHFFFAOYSA-N 419.913 3.240 0 40 HGAB O=C(O)c1ccc(NC(=O)[C@H]2[C@@H](C(=O)OCC(F)(F)C(F)F)[C@H]3C=C[C@H]2C3)cc1 100072502 JAJYJBRWUHDWIJ-VTPLQMEGSA-N 415.339 3.205 0 40 HGAB Cc1ccc(NC(=O)CN2N=N[C@H]3C(=O)N(c4ccc(C(C)C)cc4)C(=O)[C@H]32)cc1C 101168419 GUUNSHSFGBFERA-RTWAWAEBSA-N 419.485 3.359 0 40 HGAB O=C(CCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)Nc1ccc2c(c1)C(=O)c1ccccc1-2 101420362 IPFAYVVKSVPDHP-GKHNXXNSSA-N 412.445 3.034 0 40 HGAB CCOC(=O)[C@@H]1CCCN([C@H](c2ccco2)c2sc3nc(CC)nn3c2O)C1 102896698 IRBPUJOHULTFDG-IUODEOHRSA-N 404.492 3.016 0 40 HGAB O=C(CCCNC(=O)c1ccco1)/N=c1\sccn1Cc1ccccc1Cl 102902468 XREXRVSBKJOCLO-QOCHGBHMSA-N 403.891 3.482 0 40 HGAB COC(=O)C1=C(c2ccc(Cl)cc2)NC(=S)N[C@@H]1c1ccc(C(=O)OC)cc1 105093620 DTVZVZVQWGSIAQ-MRXNPFEDSA-N 416.886 3.230 0 40 HGAB COc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]3[C@@H]3CCCN32)cc1 138020100 PPKBCXDRJPIAHD-NMLBUPMWSA-N 424.884 3.184 0 40 HGAB Cc1cccc(OCC(=O)NC2CCN(c3cc(C(F)(F)F)nc(C)n3)CC2)c1 169772425 SCVWKAAKDRLIFB-UHFFFAOYSA-N 408.424 3.276 0 40 HGAB COc1cc(CNC(=O)c2ccc(N(C)S(C)(=O)=O)c(C)c2)ccc1OC(C)C 222478873 WTIATMUYSDWDEQ-UHFFFAOYSA-N 420.531 3.117 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)Nc1cccc(C)c1 223141275 PVURHVMHVYAENR-UHFFFAOYSA-N 402.516 3.359 0 40 HGAB CCOc1ccc(Cl)cc1S(=O)(=O)Nc1nc(C)c(C(=O)N(C)C)s1 223258608 BJYXGHVONPKGDG-UHFFFAOYSA-N 403.913 3.006 0 40 HGAB CSc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(N3CCCC3)cc2)cc1 224938501 MWHVGWURWYWTFW-UHFFFAOYSA-N 419.572 3.268 0 40 HGAB O=C(NCCCc1ccco1)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 225555893 XCIARONMOAWYBV-HNNXBMFYSA-N 410.923 3.083 0 40 HGAB C[C@H](CC(C)(C)c1ccccc1)NC(=O)COc1ccc(N(C)S(C)(=O)=O)cc1 225646556 DAHSYLQGRDIEJC-QGZVFWFLSA-N 418.559 3.334 0 40 HGAB Cc1cc(S(=O)(=O)N2CCc3nc4ccccn4c(=O)c3C2)c(Cl)cc1Cl 225778964 FUZXGQGJFPZVEK-UHFFFAOYSA-N 424.309 3.057 0 40 HGAB COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)N(C)Cc1ccc(Cl)cc1 225796156 CYNZDUFGMAJCHP-UHFFFAOYSA-N 424.950 3.190 0 40 HGAB Cc1cc(-c2ccc(N)nc2)cc([C@H]2CN(CC(=O)Nc3ccc(F)cc3)CCO2)n1 257284555 PDCVCWQCFAVKHH-OAQYLSRUSA-N 421.476 3.185 0 40 HGAB O=C(Nc1ccc(F)cc1F)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1 408608755 SDWJHWGLZPIHMK-FQEVSTJZSA-N 416.449 3.493 0 40 HGAB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NCc1ccco1)C1CCCCC1 408635469 BTBKWGYYSNFIHU-UHFFFAOYSA-N 420.531 3.236 0 40 HGAB CS(=O)(=O)N(Cc1ccc(C(=O)NC[C@H](O)c2ccccc2)cc1)c1ccccc1 408725748 HGYPRVBMYJKQFP-QFIPXVFZSA-N 424.522 3.116 0 40 HGAB COc1ccc(Cl)cc1/C=C1/NC(=O)N(CC(=O)Nc2ccccc2F)C1=O 409200650 JFFMUCTWGKOWBK-OQLLNIDSSA-N 403.797 3.019 0 40 HGAB Cc1oc(-c2cnn(C)c2)nc1C(=O)N1CCOc2ccc(Br)cc2C1 549192259 ZGHRAMHNMHMPRD-UHFFFAOYSA-N 417.263 3.181 0 40 HGAB O=S(=O)(NCC[C@@H](CCO)c1cccs1)c1ccccc1Br 575608180 QGUKSXKYSCUBKR-LBPRGKRZSA-N 404.351 3.345 0 40 HGAB CCN1CCN(C(=O)c2cnccn2)[C@@H](Cc2ccc(-c3ccccc3F)cc2)C1=O 585168990 COKVKUOJGKAXCF-QFIPXVFZSA-N 418.472 3.198 0 40 HGAB Cc1cccc(C(=O)N2CCC[C@@H]2C(=O)Nc2cc(-c3nc(O)n[nH]3)ccc2C)c1 1155260992 YTCKBWIITHUHRA-GOSISDBHSA-N 405.458 3.037 0 40 HGAB O=C(Nc1ccc(CCO)cc1)c1ccc(C(=O)Nc2ccc(CCO)cc2)cc1 1889133919 WEJZGWAQLUWSIM-UHFFFAOYSA-N 404.466 3.261 0 40 HGAB O=C(CSc1ncnc2c1cnn2-c1ccccc1)N1CCc2ccccc2C1 929262 MGTIZWZFWIBTMN-UHFFFAOYSA-N 401.495 3.493 0 40 HGAB COc1ccc(NC(=S)N(CCO)Cc2cc3ccc(C)c(C)c3[nH]c2=O)cc1 931873 QOGJFXVUVANTOT-UHFFFAOYSA-N 411.527 3.345 0 40 HGAB Cc1c(NC(=O)CSC2=NCC(c3ccccc3)=N2)c(=O)n(-c2ccccc2)n1C 1099846 GMRGSFVJNWPNDS-UHFFFAOYSA-N 419.510 3.015 0 40 HGAB CC[C@H](C(=O)OCc1ccccc1)n1cnc2sc(C(=O)OC)c(C)c2c1=O 1784721 DRBDZFCRAZNJCM-CQSZACIVSA-N 400.456 3.248 0 40 HGAB COc1ccc2c(c1)[nH]c1c(N3CCN(Cc4ccc5c(c4)OCO5)CC3)ncnc12 2379141 PJNRSCIWBIDJJA-UHFFFAOYSA-N 417.469 3.171 0 40 HGAB CCC(=O)N1N=C(c2cccc(NS(C)(=O)=O)c2)C[C@H]1c1ccc(OC)cc1 4036092 NTWAFLWVKDGCIP-IBGZPJMESA-N 401.488 3.154 0 40 HGAB O=C(CSc1ncnc2c1nnn2Cc1ccccc1F)Nc1ccccc1F 4166506 PYFAABJYDKPMRJ-UHFFFAOYSA-N 412.425 3.279 0 40 HGAB CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(-c3cn4c(n3)SCC4)cc2)cc1 4249142 APAQYRJWMNAZCR-UHFFFAOYSA-N 414.512 3.415 0 40 HGAB CCOC(=O)[C@]1(C(F)(F)F)N=C(c2ccc(F)cc2)OC(N2CCCCC2)=N1 4452585 DQZJGNILYSVCSB-KRWDZBQOSA-N 401.360 3.266 0 40 HGAB CC(=O)C1=NN(c2ccc(Cl)cc2)[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]12 4863240 KJWYRZHDCVSPKG-RDJZCZTQSA-N 402.237 3.317 0 40 HGAB Cc1cc(O)c(-c2[nH]nc3c2[C@H](c2cccc(O)c2)N(CCCO)C3=O)cc1Cl 5343593 RDLYOBNTXHLYHK-FQEVSTJZSA-N 413.861 3.377 0 40 HGAB O=C(NCc1ccncc1)c1cccc(NS(=O)(=O)c2ccc(F)c(F)c2)c1 6167907 PINMWEWCYHKGIY-UHFFFAOYSA-N 403.410 3.091 0 40 HGAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)OC(=O)c1cccc(NS(C)(=O)=O)c1 6858565 KGXDWKFPJBIOAW-CYBMUJFWSA-N 400.456 3.276 0 40 HGAB CCC[C@H](C)NC(=O)CCc1ccc(S(=O)(=O)NCCc2ccccc2)cc1 6946131 FOMJJRBCQWTEBV-SFHVURJKSA-N 402.560 3.445 0 40 HGAB C[C@@H](NC(=O)CSc1n[nH]c(=O)n1CCc1ccccc1)c1ccc(F)cc1F 7346036 USBCDRWXGYFNFN-CYBMUJFWSA-N 418.469 3.062 0 40 HGAB CCOc1cc2c(cc1CNS(=O)(=O)c1ccc3c(c1)OCCCO3)O[C@H](C)C2 8058717 SWBMSMOQLRBMHK-CQSZACIVSA-N 419.499 3.049 0 40 HGAB O=C(Nc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1F)c1cccc(Cl)c1 8810195 RYVYMPJFFPLTID-CQSZACIVSA-N 412.870 3.189 0 40 HGAB CCSc1nc(NC(C)C)c2cnn(CCNC(=O)c3ccc(F)c(F)c3)c2n1 8948486 ZPLCVXFHDRINTC-UHFFFAOYSA-N 420.489 3.467 0 40 HGAB Cc1ccc(N2C[C@H](CNS(=O)(=O)c3ccc(Br)cc3)CC2=O)cc1 9036930 HZZSHNWGGPLTOH-AWEZNQCLSA-N 423.332 3.089 0 40 HGAB COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)/C=C/c1nc2ccccc2s1 9223589 HUGVSJQHGVYCME-ZHACJKMWSA-N 420.494 3.221 0 40 HGAB Cc1ccc(S(=O)(=O)NC(=O)c2ncn(CC(C)C)c2-c2ccccc2N)cc1 9421356 SHWXAOKHQHRWOI-UHFFFAOYSA-N 412.515 3.215 0 40 HGAB CS(=O)(=O)c1ccc(-c2cccc(NC(=O)COc3ccc(Cl)cc3)c2)nn1 9626693 IJDIOXBZQGHSLY-UHFFFAOYSA-N 417.874 3.218 0 40 HGAB C[C@@H]1CCCN(C(=O)Cc2csc(NS(=O)(=O)c3ccc(Cl)cc3)n2)C1 9828490 NPIJXOUTMKYKAO-GFCCVEGCSA-N 413.952 3.398 0 40 HGAB CC(=O)c1ccc(N2CCN(C(=O)Cc3csc(-c4ccccn4)n3)CC2)c(F)c1 11007846 ZJLCTTLYJKHORR-UHFFFAOYSA-N 424.501 3.438 0 40 HGAB O=C(c1cc2ccccc2cc1O)N1CCC(NS(=O)(=O)c2cccs2)CC1 11450518 VHZVBOIZNSTZSW-UHFFFAOYSA-N 416.524 3.190 0 40 HGAB O=C(C[C@@H]1CSc2nc3c(cnn3-c3ccccc3)c(=O)n21)Nc1cccc(F)c1 11613356 HUDBDUJSTWBDSI-MRXNPFEDSA-N 421.457 3.397 0 40 HGAB NC(=O)c1cc2ccccc2nc1[C@H]1CCCN(C(=O)COc2ccccc2F)C1 12255824 PUFMJZJAVGKJDQ-INIZCTEOSA-N 407.445 3.258 0 40 HGAB COc1ccccc1NC(=O)[C@@H](C)Sc1nncn1-c1cccc(NC(C)=O)c1 12540411 WZAFGHZHHJABHJ-CYBMUJFWSA-N 411.487 3.354 0 40 HGAB CCOC(=O)Cc1csc(NC(=O)Cc2cc(-c3ccc(OC)cc3)on2)n1 12867167 IZYFLYHSDWDLCT-UHFFFAOYSA-N 401.444 3.094 0 40 HGAB COc1ccc(CCNC(=O)CCc2c(C)nc3nc(C(F)(F)F)nn3c2C)cc1 12986272 DXXNXMANOFCCBQ-UHFFFAOYSA-N 421.423 3.060 0 40 HGAB CCOc1ccccc1[C@@H]1C(C(=O)Nc2ccccc2OC)=C(C)Nc2nnnn21 13125216 XRADAPAZKRUCTG-LJQANCHMSA-N 406.446 3.008 0 40 HGAB CCOC(=O)c1cc2c(N)c(C(=O)c3ccc(Br)cc3)sc2[nH]c1=O 13865774 PLLDLQXTCNUVMH-UHFFFAOYSA-N 421.272 3.342 0 40 HGAB O=C(CN1C(=O)C(=O)N(Cc2ccccc2)C1=O)N(Cc1ccco1)C1=CCCCC1 14199169 ZSPVYRFZPRMSGX-UHFFFAOYSA-N 421.453 3.057 0 40 HGAB COc1ccc(NC(=O)c2ccc(NC(=O)CCc3c(C)nc(C)[nH]c3=O)cc2)cc1 14227620 HPDZXMRAVBDECQ-UHFFFAOYSA-N 420.469 3.219 0 40 HGAB Cc1ccccc1Nc1nc(N)nc(CN2C(=O)N[C@@]3(C[C@@H](C)CC(C)(C)C3)C2=O)n1 16097250 WKCYMKDNCMIOMG-WHEQGISXSA-N 423.521 3.143 0 40 HGAB Cc1ccc(-c2noc(-c3cccn(CC(=O)NCc4ccccc4)c3=O)n2)cc1 16843503 AZKUOIQQYQXTQM-UHFFFAOYSA-N 400.438 3.190 0 40 HGAB Cc1ccc(OCCNC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)cc1 18074967 YZAXWXOSBNWHTF-UHFFFAOYSA-N 422.934 3.242 0 40 HGAB C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)N3c4ccccc4C[C@H]3C)cc2)C[C@@H](C)O1 18080716 YIFZLVJVNUFRDQ-ZACQAIPSSA-N 414.527 3.076 0 40 HGAB Cc1cnc(-c2nnc(C3CCN(C(=O)c4cc5cc(F)ccc5[nH]4)CC3)o2)cn1 19239236 RXUXCWKIMLERGE-UHFFFAOYSA-N 406.421 3.475 0 40 HGAB O=C(C1CCC1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CN(Cc1cccs1)CC2 19343558 JILCOQIQHRYDQX-IBGZPJMESA-N 412.559 3.243 0 40 HGAB CSCC[C@@H](C(=O)Nc1nc(-c2ccc3c(c2)C[C@H](C)O3)cs1)n1cnnn1 19498229 KDJCRPAHLPALBX-NHYWBVRUSA-N 416.532 3.053 0 40 HGAB CCNC(=O)[C@@]1(Cc2ccc(-c3cccs3)cc2)CCN(C(=O)c2cc[nH]n2)C1 19528988 GZINLUDIBHMLQV-JOCHJYFZSA-N 408.527 3.349 0 40 HGAB CN(C)c1ncc(-c2ccccc2F)c([C@@H]2CCCN(C(=O)c3ccc(N)nc3)C2)n1 19694261 IXPQYAVFYXPMFC-MRXNPFEDSA-N 420.492 3.346 0 40 HGAB COCCC(=O)N1CCCC[C@H]1c1ncc(C(=O)Nc2ccccc2OC)c(C)n1 19755665 FDIAPMWOYIUZHJ-SFHVURJKSA-N 412.490 3.136 0 40 HGAB COc1ccc(-c2noc(CCC(=O)N3CCN(Cc4ccccc4)CC3)n2)cc1 20181778 RUGQVXURULICTI-UHFFFAOYSA-N 406.486 3.022 0 40 HGAB C[C@@H](NC(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O)c1ccc(F)cc1 20460115 VPHVWLBJHCGCMM-GFCCVEGCSA-N 418.412 3.488 0 40 HGAB COc1ccc([C@@H]2CCCN2C(=O)CCNS(=O)(=O)c2cc(C)ccc2C)cc1 22285331 BAWSCRMGWNXQGL-FQEVSTJZSA-N 416.543 3.344 0 40 HGAB O=C(c1ccccc1Br)N1CCN(Cc2ccc3c(c2)CCO3)CC1 22830785 BCUJFXFEOHQBAU-UHFFFAOYSA-N 401.304 3.342 0 40 HGAB CCn1c(=O)n(CC(=O)N2CCC[C@H]2c2ccc(OC)cc2OC)c2ccccc21 23313191 NZAZVIDVAGIQPA-SFHVURJKSA-N 409.486 3.204 0 40 HGAB COc1cc(C(=O)NCC2(N3CCOCC3)CCCCC2)ccc1OCC(C)C 23653529 KRFBEQJPBFFBAU-UHFFFAOYSA-N 404.551 3.495 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(CCC(=O)NCCc2ccccc2OC)cc1 23911493 IVOAFPMHUNZDGP-UHFFFAOYSA-N 418.559 3.017 0 40 HGAB CSCc1ccc(C(=O)N2CCC(NS(=O)(=O)c3cccs3)CC2)cc1 25043295 LLVOMQDEUWFJPE-UHFFFAOYSA-N 410.586 3.194 0 40 HGAB CN(Cc1cnn(C)c1)C(=O)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1 25048724 QCGWHJYPMSMRTP-OUKQBFOZSA-N 410.499 3.105 0 40 HGAB COc1ccc(CCNC(=O)CCNC(=O)C23CC4CC(CC(C4)C2)C3)cc1OC 25424158 FVMCQVMJDOFXTR-UHFFFAOYSA-N 414.546 3.085 0 40 HGAB COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cccc(N3CCCC3=O)c2)c1 26535138 QUDDCCHKOOMREB-UHFFFAOYSA-N 408.863 3.054 0 40 HGAB O=C(NC[C@@H]1CCN(c2ccccc2)C1)[C@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 27843675 VGYSQCUQLDXTOE-RXVVDRJESA-N 403.526 3.171 0 40 HGAB O=C(Cc1ccc(Cl)cc1Cl)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 29666405 AYPPBRUEUPKYHU-UHFFFAOYSA-N 421.280 3.249 0 40 HGAB O=C(NCCc1c[nH]c2ccccc12)c1ccccc1S(=O)(=O)N1CCCCC1 32958325 SATZROIQWFPDMC-UHFFFAOYSA-N 411.527 3.315 0 40 HGAB O=C(NC[C@H]1CCCO1)c1ccc2c(=O)n(-c3cccc(C(F)(F)F)c3)cnc2c1 36359296 PFPUJJPUQDZYMK-MRXNPFEDSA-N 417.387 3.313 0 40 HGAB CC[C@@H](C)[C@@H](NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc(Cl)cc1F)C(=O)OC 36579808 SQOPRNAXDWZKHQ-ONUMYQOESA-N 422.888 3.447 0 40 HGAB Cc1c2c(C(F)(F)F)cc(=O)n(CCC(=O)Nc3cc(F)ccc3F)c2nn1C 36621533 CTBNLOKRTZMAGJ-UHFFFAOYSA-N 414.334 3.369 0 40 HGAB Cc1cc(C)n(C[C@@H](C)CNC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)n1 40121537 JZPYVZNLUYNQLD-KXBFYZLASA-N 416.953 3.458 0 40 HGAB C[C@H](NC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1)c1ccc(S(C)(=O)=O)cc1 44857105 BXLUAGFQRDOCEO-QFBILLFUSA-N 418.534 3.319 0 40 HGAB O=C(Nc1ccc(F)cc1)c1nnc(CSc2nncn2Cc2ccco2)s1 46584743 YEBINZWJMCNORI-UHFFFAOYSA-N 416.463 3.455 0 40 HGAB CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)N[C@@H](C)CN(C)c2ccccc2)cc1 48344376 MGSMFSJVSWPPIK-SJORKVTESA-N 403.548 3.018 0 40 HGAB CNC(=O)[C@H]1CN(C(=O)CSc2nc3cc(Cl)ccc3o2)c2ccccc2O1 53850084 BNMYXJUNBKSLNA-MRXNPFEDSA-N 417.874 3.114 0 40 HGAB CC(=O)N1CCc2cc(S(=O)(=O)NCCOc3cccc4ccccc34)ccc21 56123824 HNCVKHKYHPVEIQ-UHFFFAOYSA-N 410.495 3.106 0 40 HGAB COC(=O)c1[nH]c2ccccc2c1NC(=O)CN1CCN(c2cccc(C)c2C)CC1 57050734 YLXMXYBZJCBFKO-UHFFFAOYSA-N 420.513 3.332 0 40 HGAB Cc1ccc(C)c(-n2c(=O)c3sccc3n(CC(=O)NCc3ccccc3)c2=O)c1 57492398 RFZODBJHHWBKAJ-UHFFFAOYSA-N 419.506 3.147 0 40 HGAB CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)Nc1ccc(N(C)C)cn1 58050335 CYMROEXNTRSEEK-MRXNPFEDSA-N 406.939 3.291 0 40 HGAB C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1Cl 58148062 XQDKMJBNCMHRAS-LLVKDONJSA-N 412.870 3.326 0 40 HGAB Cc1ccc(Cl)cc1NC(=O)c1nnn(CC(=O)NCc2ccc(F)cc2)c1C 71327411 FPOBLANHSZTLTD-UHFFFAOYSA-N 415.856 3.256 0 40 HGAB O=C(CN1N=C(c2nc(-c3ccccc3)no2)CCC1=O)Nc1ccc(Cl)cc1 71328307 FKQOVZMJWIBQLN-UHFFFAOYSA-N 409.833 3.355 0 40 HGAB Cc1ccc(S(=O)(=O)c2cnc(N3CC=C(c4ccccc4)CC3)nc2N)cc1 71771766 LUMOGVMTGKBXSB-UHFFFAOYSA-N 406.511 3.494 0 40 HGAB O=C(NCCc1c[nH]c2ccc(F)cc12)[C@H]1CCCN(c2ccc(Cl)nn2)C1 79479231 BLOUOTFOELBWPD-AWEZNQCLSA-N 401.873 3.326 0 40 HGAB Cc1ccn2c(CN3CCN([C@H]4CCN(Cc5ccccc5)C4)CC3)c(C)nc2c1 95457014 RLBCKEDDZGXSGE-QHCPKHFHSA-N 403.574 3.343 0 40 HGAB O=C(CCn1ccc2ccc(Br)cc21)NCCc1nnc2ccccn12 95476617 KWZKHEGBHNINOS-UHFFFAOYSA-N 412.291 3.196 0 40 HGAB COc1ccc(NC(=O)CCCN(c2ccccc2C)S(C)(=O)=O)cc1OC 113968733 UJGLDVNDHCFIEV-UHFFFAOYSA-N 406.504 3.197 0 40 HGAB CCOC(=O)c1cccc(NC(=O)[C@@H](CC)N(c2cccc(C)c2)S(C)(=O)=O)c1 220518240 SLARTLWOCKXAOZ-LJQANCHMSA-N 418.515 3.355 0 40 HGAB COc1ccc(S(=O)(=O)NCc2nc(-c3ccc(Cl)cc3)no2)c(C)c1C 223272816 MVEBEXIGMDJRME-UHFFFAOYSA-N 407.879 3.494 0 40 HGAB CC(C)(C)c1ccccc1OCCNS(=O)(=O)c1ccc(N2CCCC2=O)cc1 223709039 OLMLYKVOTPQJFV-UHFFFAOYSA-N 416.543 3.468 0 40 HGAB CC(C)C[C@H](NC(=O)CN(Cc1ccccc1F)S(C)(=O)=O)c1ccccc1 225551351 VQJZGLHZKZTNLZ-FQEVSTJZSA-N 406.523 3.491 0 40 HGAB NC(=O)c1ccc(NC(=O)CCc2nc(-c3cccc(C(F)(F)F)c3)no2)cc1 225804625 KKEMODJPPJBUAD-UHFFFAOYSA-N 404.348 3.426 0 40 HGAB O=C(C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)N1CCOc2ccccc21 226072809 BLOZXWRYPHHJEA-UHFFFAOYSA-N 420.918 3.166 0 40 HGAB COc1ccccc1Cc1cnc([C@@H]2CCCCN2C(=O)c2cc(C)nc(O)n2)o1 257248789 JFEPZXLVKVMJIU-SFHVURJKSA-N 408.458 3.445 0 40 HGAB COc1ccc(OC)c(NC(=O)[C@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)c1 408558142 QDCUTWOVDHDOSX-LBPRGKRZSA-N 412.895 3.150 0 40 HGAB COc1cccc(NC(=O)c2ccccc2N2C(=O)c3ccc(C(=O)O)cc3C2=O)c1 408670098 IANWPLMYJQVTJZ-UHFFFAOYSA-N 416.389 3.446 0 40 HGAB O=C(CN1C(=O)N/C(=C/c2ccc(C(F)(F)F)cc2)C1=O)Nc1ccccc1F 409198959 APRHINYPAOHSKN-OQLLNIDSSA-N 407.323 3.376 0 40 HGAB CCOc1cc2c(cc1OCC)CN(C(=O)Nc1ccc(-n3cnnn3)cc1)CC2 519218245 AVOKHDQLHSQQLF-UHFFFAOYSA-N 408.462 3.050 0 40 HGAB O=C(Nc1cc(-c2cccnc2)[nH]n1)c1ccc2c(c1)nc(O)n2CC(F)(F)F 535878882 AHPFNJRMQBFOFV-UHFFFAOYSA-N 402.336 3.342 0 40 HGAB Cc1noc(C)c1C(=O)N1CCC2(CC1)CN(Cc1ccccc1)C[C@]21CCOC1 585113474 OARFUQUWBBCVBV-DEOSSOPVSA-N 409.530 3.436 0 40 HGAB COC(=O)c1ccc(S(=O)(=O)NC[C@@H](O)c2ccc(-c3cccs3)s2)cc1 585148306 XXINASAZUVAWPE-CQSZACIVSA-N 423.537 3.275 0 40 HGAB Cc1oc(-c2ccc3c(c2)OCCO3)cc1C(=O)N[C@H](Cc1ccccc1)C(=O)O 667358 GRCZPBSVGRPYCV-GOSISDBHSA-N 407.422 3.452 0 40 HGAB Fc1ccc(-c2csc(N3CCN(C(=S)NC[C@H]4CCCO4)CC3)n2)cc1 1349345 SAUQYYHCZAJFPK-MRXNPFEDSA-N 406.552 3.125 0 40 HGAB O=C(CSc1nc(-c2ccco2)cc(C(F)(F)F)n1)NCCCn1ccnc1 2489020 MMYCMZWBOZKRRV-UHFFFAOYSA-N 411.409 3.251 0 40 HGAB COc1ccc(CC(=O)Nc2c3c(nn2-c2cccc(C)c2C)C[S@](=O)C3)cc1 2724940 NSYNHLYYWBQJMB-LJAQVGFWSA-N 409.511 3.441 0 40 HGAB CCOc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)cc1 3555717 YPOKGHHIPHXZDR-UHFFFAOYSA-N 418.515 3.133 0 40 HGAB COCCCn1c(SCC(=O)Nc2ccc(F)cc2)nc2ccccc2c1=O 4160903 ZYKHTUZTGYFXPN-UHFFFAOYSA-N 401.463 3.303 0 40 HGAB Cc1ccc(S(=O)(=O)NC[C@H](c2ccco2)S(=O)(=O)c2cccs2)cc1 4519423 IZLHAQHILSYDNT-MRXNPFEDSA-N 411.526 3.143 0 40 HGAB O=C1C[C@H](N2CCC(c3nc4ccccc4o3)CC2)C(=O)N1c1ccc2c(c1)OCO2 4723379 HTSDPHWVIHALKR-KRWDZBQOSA-N 419.437 3.068 0 40 HGAB Cc1ccc(OCC(=O)N(Cc2ccc(Cl)cc2)[C@H]2CCS(=O)(=O)C2)cc1 5046735 IBPWAIASIUGCCB-SFHVURJKSA-N 407.919 3.243 0 40 HGAB CNC(=O)NC(=O)[C@@H](C)Sc1ncc(-c2ccccc2)n1-c1ccccc1OC 5263656 IENMJHILFWSQIE-CQSZACIVSA-N 410.499 3.484 0 40 HGAB CC(=O)CC(=O)N[C@H]1CC[C@@H](C[C@@H]2CC[C@H](NC(=O)CC(C)=O)[C@H](C)C2)C[C@@H]1C 5529505 DLAADOGEGQKDFC-CAZMEZRKSA-N 406.567 3.177 0 40 HGAB COc1ccc(CCC(=O)OCC(=O)Nc2ccccc2OC(F)F)cc1OC 6566337 NQYUFHQPZWACCK-UHFFFAOYSA-N 409.385 3.420 0 40 HGAB Cc1noc(C)c1COc1ccc(CC(=O)Nc2ccc(S(C)(=O)=O)cc2)cc1 6579163 MMCLBOCXEYHOKV-UHFFFAOYSA-N 414.483 3.455 0 40 HGAB Cc1noc(C)c1COc1ccc(C(=O)N(C)Cc2nc3ccccc3c(=O)[nH]2)cc1 6648224 DTDHOUQZKBUUIQ-UHFFFAOYSA-N 418.453 3.379 0 40 HGAB CC[C@H](Oc1ccccc1)C(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 6928245 OGIPZPALCHIIRC-IBGZPJMESA-N 422.934 3.031 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1 7061376 UZRQCPDFHHSUFX-UHFFFAOYSA-N 400.456 3.076 0 40 HGAB COc1ccc(COC(=O)c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)cc1 7311042 DVLJGLJXZQYACA-UHFFFAOYSA-N 403.500 3.473 0 40 HGAB CCn1c(C)cc(C(=O)OCC(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)c1C 7794607 KNQLBHJEDMPTCZ-UHFFFAOYSA-N 401.507 3.076 0 40 HGAB Cc1cc(C(=O)CN2C(=O)N[C@H](Cc3ccccc3)C2=O)c(C)n1Cc1ccccc1 8132812 BHCZNTCIKKBOAN-JOCHJYFZSA-N 415.493 3.499 0 40 HGAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN1C(=O)NC2(CCCCCC2)C1=O 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O=C1O[C@H](c2ccccc2)Cc2cc(C(=O)N3CCN(c4ccccn4)CC3)ccc21 9883752 AOYSGPXHFVABNJ-QFIPXVFZSA-N 413.477 3.498 0 40 HGAB COc1ccc(-c2nn3cnnc3s2)cc1NC(=O)COc1ccc(C)cc1C 10119971 SJQGGQDWCDKAFA-UHFFFAOYSA-N 409.471 3.496 0 40 HGAB CC(C)[C@@H](NC(=O)CSc1nncn1C1CC1)c1ccc2c(c1)OCCCO2 10649481 SYHVLFRMBMKTDO-LJQANCHMSA-N 402.520 3.380 0 40 HGAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)C(=O)c1cccc(OC(F)F)c1 10970975 VXQBRZFTRQLCLL-ZDUSSCGKSA-N 417.412 3.124 0 40 HGAB Cc1ccccc1CSc1nc(-c2ccc(F)cc2)nc2c1c(=O)n(C)c(=O)n2C 11758207 VTKOLEHVVAPKJT-UHFFFAOYSA-N 422.485 3.434 0 40 HGAB O=C1CCc2cc(OCC(=O)Nc3cccc(Cl)c3N3CCOCC3)ccc2N1 12526876 HKKXIGJFQCESIK-UHFFFAOYSA-N 415.877 3.079 0 40 HGAB O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)OCC(=O)c1ccc2c(c1)-c1ccccc1C2 12530100 WHKFZWGASKFOIV-WOJBJXKFSA-N 417.461 3.159 0 40 HGAB O=C(CN1C(=O)c2ccccc2C1=O)NCc1ccc(-c2nc3ccccc3s2)o1 12812361 GEGFVCCNWNHCRM-UHFFFAOYSA-N 417.446 3.469 0 40 HGAB COc1ccc(OC)c(NC(=O)CCn2cnc3sc4c(c3c2=O)CCCC4)c1 12926662 ZNXREEKTFBZVAJ-UHFFFAOYSA-N 413.499 3.383 0 40 HGAB COc1ccc(-n2nc(C)c3c2N=C(O)C[C@H]3c2ccc(OCC(N)=O)cc2)cc1 13550923 WFBAIJHAKMKTSW-SFHVURJKSA-N 406.442 3.177 0 40 HGAB Cc1cc(C)c(NS(=O)(=O)c2ccn(S(=O)(=O)c3ccccc3)c2)c(C)c1 13585818 MRBDCSHCLHOXTQ-UHFFFAOYSA-N 404.513 3.451 0 40 HGAB CC(C)COC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OCC(C)C)[C@@H]1c1ccc(F)cc1 13617399 XPJNTNUMQIGRLO-UGTOYMOASA-N 422.493 3.264 0 40 HGAB CCc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1 13948158 ZLTRYODZFRVAKH-UHFFFAOYSA-N 423.541 3.307 0 40 HGAB C[C@H](C1CC1)N(CC(F)(F)F)C(=O)COC(=O)c1ccc(NC(=O)C2CC2)cc1 14201654 NCKSEKJKJPELAC-GFCCVEGCSA-N 412.408 3.381 0 40 HGAB CCc1ccccc1NC(=O)c1ccc(N2C(=O)[C@@H](C)CS2(=O)=O)cc1Cl 15858401 OLSBSNYWHFCNNH-LBPRGKRZSA-N 406.891 3.467 0 40 HGAB COCCCn1c(C(=O)N2C[C@@H](C)C[C@@H](C)C2)cc2c(=O)n3cccc(C)c3nc21 18192189 WTBSKPDEJDSEPG-IYBDPMFKSA-N 410.518 3.112 0 40 HGAB O=C(c1ccc(Cn2cccn2)o1)N1CCC(c2ncncc2-c2ccncc2)CC1 19406192 PNNUCZCNAOVDJM-UHFFFAOYSA-N 414.469 3.396 0 40 HGAB Cc1c(C(=O)N2CCC[C@H](c3nc(N(C)C)ncc3-c3cccc(F)c3)C2)cnn1C 19694058 LKZFXRFTVXZMFA-KRWDZBQOSA-N 422.508 3.410 0 40 HGAB COc1cc2c(cc1OC)N(C)S(=O)(=O)C(C(=O)Nc1c(C)cccc1C)=C2C 20063935 DBGIWLRGOYWMOJ-UHFFFAOYSA-N 416.499 3.470 0 40 HGAB Cc1ccc(N(CC(=O)NCc2ccc(OC(C)C)cc2)S(C)(=O)=O)c(C)c1 20104126 UAFKDQXTIGSJPB-UHFFFAOYSA-N 404.532 3.173 0 40 HGAB COc1ccccc1CNC(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O 20237234 NAGPLQMVWFBJQC-UHFFFAOYSA-N 417.314 3.084 0 40 HGAB CC[C@@H](Oc1cc(Cl)ccc1Cl)C(=O)NN1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@@H]2C1=O 20572967 GXXDUYNDEJDOHA-PDSBVLEXSA-N 411.285 3.213 0 40 HGAB CCN(Cc1ccc(OC)c(OC)c1)C(=O)CCNC(=O)Nc1ccc(OC)cc1 22311009 IRXXRUFRUPSLML-UHFFFAOYSA-N 415.490 3.273 0 40 HGAB CC(=O)c1ccc(S(=O)(=O)Nc2c(C(C)C)n(C)n(-c3ccccc3)c2=O)cc1 24992212 BDTLUQNQIOFJAM-UHFFFAOYSA-N 413.499 3.303 0 40 HGAB COc1ccc(CN2C[C@@H](C(=O)Nc3ccc(Br)cc3)CC2=O)cc1 28404162 IZZZCMQZQMWKLB-AWEZNQCLSA-N 403.276 3.445 0 40 HGAB O=S(=O)(c1cc(Br)ccc1Br)n1nnc2ccccc21 28462682 WFUUQDRIJFTHLO-UHFFFAOYSA-N 417.082 3.193 0 40 HGAB COc1cc(/C=C/C=C/C=C/C(C)=C/[C@@]2(C)O[C@@H](C)[C@@](C)(O)[C@@H]2O)oc(=O)c1C 31156917 QPSHETAOAVLQIF-AYGDVHJDSA-N 402.487 3.318 0 40 HGAB biogenic,in-vitro C[C@H](Oc1ccc(F)cc1Br)C(=O)N(C)Cc1ccc(C(N)=O)cc1 32637272 QVYKRADYWYEUKP-NSHDSACASA-N 409.255 3.113 0 40 HGAB CC(=O)c1cccc(N2C(SCc3cccc(C)c3)=N[C@@H]3CS(=O)(=O)C[C@H]32)c1 32641223 UPKBFVVVOCADOS-WOJBJXKFSA-N 414.552 3.473 0 40 HGAB CCNc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1cc(Cl)ccc1OC 32764788 ZJEQYGUOYLAMMQ-UHFFFAOYSA-N 411.911 3.283 0 40 HGAB CC(C)[C@@H](NC(=O)Cc1csc(NS(C)(=O)=O)n1)c1ccc(Cl)cc1 32903604 KBGVBSZSATWTMM-OAHLLOKOSA-N 401.941 3.224 0 40 HGAB COc1cccc(NC(=O)CNc2cc(S(=O)(=O)N3CCCCC3)ccc2C)c1 33005515 RUUIPVQWMFPDST-UHFFFAOYSA-N 417.531 3.229 0 40 HGAB Cc1csc(NC(=O)CSc2nc3ccccc3n2CC(=O)NC(C)C)n1 35312100 BADBMXOCMNXQAM-UHFFFAOYSA-N 403.533 3.057 0 40 HGAB COc1ccc([C@@H]2CC(=O)Nc3c(-c4ccc(C)cc4)nsc32)cc1OCC(N)=O 35316405 YPDREMWEWWNTFQ-HNNXBMFYSA-N 423.494 3.465 0 40 HGAB O=C(O)c1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCc2ccccc2)cc1 36392243 JQAAQDZSWRFAMO-UHFFFAOYSA-N 410.451 3.116 0 40 HGAB Cc1cc(C)c(C)c(S(=O)(=O)NCCN2CCO[C@@H](c3ccccc3)C2)c1C 36700135 DSVKXKZDVDOYOW-OAQYLSRUSA-N 402.560 3.272 0 40 HGAB COc1cc(OC)cc(-n2nnc(-c3nc(-c4ccc5c(c4)OCO5)cs3)c2N)c1 38486916 ZJCBKMFQBLSTQY-UHFFFAOYSA-N 423.454 3.386 0 40 HGAB O=C(Cc1csc(NC(=O)C2CCCC2)n1)Nc1ccc(N2CCOCC2)cc1 38739448 SFSDAWDGKGMBHY-UHFFFAOYSA-N 414.531 3.290 0 40 HGAB C[C@H](NC(=O)CN(C1CC1)S(=O)(=O)c1cccnc1)c1ccc2ccccc2c1 40072669 LQRKLDVCJJAQKW-INIZCTEOSA-N 409.511 3.265 0 40 HGAB Cc1ccc([C@H](C)NC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cc1C 44856424 MHHZBUSZOBTWCJ-IFXJQAMLSA-N 422.934 3.361 0 40 HGAB CCOc1ccccc1-c1nnc(SCc2cc(=O)n3nc(C)sc3n2)o1 48344524 MLJNJEUJOAGJNI-UHFFFAOYSA-N 401.473 3.200 0 40 HGAB COc1ccccc1N1CCN(C(=O)c2nnn(-c3ccc(Cl)cc3)c2C)CC1 51317496 JTTHMXHIHLSKHX-UHFFFAOYSA-N 411.893 3.200 0 40 HGAB CC1CCN(C(=O)c2nnc3sc(-c4ccccc4Br)nn23)CC1 57354651 ZZWUKNLJQNCMAM-UHFFFAOYSA-N 406.309 3.487 0 40 HGAB O=S(=O)(NCc1ccc(Oc2cccc(F)c2)nc1)c1ccc2c(c1)CCO2 58368487 CSQBTQNLGWZGRC-UHFFFAOYSA-N 400.431 3.426 0 40 HGAB COc1ccc(NC(=O)Cn2nc3cc(-c4ccccc4)nc(C)n3c2=O)cc1Cl 65196630 AOTGKCJMWVLDNJ-UHFFFAOYSA-N 423.860 3.167 0 40 HGAB CCOc1ccc(NC(=O)Cn2nnc(C(=O)Nc3ccc(C)cc3C)c2C)cc1 71327386 LWPSPGTYQVHQKP-UHFFFAOYSA-N 407.474 3.493 0 40 HGAB COc1ccc(CNC(=O)c2cn(-c3cc(-c4nc(C5CC5)no4)ccn3)cn2)cc1 71768426 NQDADWAOBDVMIW-UHFFFAOYSA-N 416.441 3.133 0 40 HGAB CC(C)COc1ccccc1CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1 71850251 OPXPKDXAVKHIPO-KRWDZBQOSA-N 422.572 3.252 0 40 HGAB Cn1cc(C(=O)N2CCC[C@@H]2c2nc(N)ncc2-c2ccc(Cl)cc2)ccc1=O 72354910 OXVTXSLSLVIPAQ-QGZVFWFLSA-N 409.877 3.055 0 40 HGAB CCOC(=O)[C@@H]1Oc2c(c(=O)oc3ccccc23)[C@@H]1c1cc(OC)c2c(c1)OCCO2 79192929 BZOJOKWSOPEFOE-LAUBAEHRSA-N 424.405 3.029 0 40 HGAB biogenic Cc1cc(NC(=O)[C@@H](C)c2ccc(CC(C)C)cc2)n([C@@H]2CCS(=O)(=O)C2)n1 79494408 CHDOCTACCZVHAP-QFBILLFUSA-N 403.548 3.492 0 40 HGAB C[C@@H](NCC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1)C12CC3CC(CC(C3)C1)C2 95469682 VGQSGTPDODSZTL-PHRRHICISA-N 422.635 3.139 0 40 HGAB Cc1cc(F)ccc1S(=O)(=O)N1[C@H]2CC[C@H]1CC(S(=O)(=O)c1ccccc1)C2 101120464 VDVFQVDBFLDGGP-IRXDYDNUSA-N 423.531 3.292 0 40 HGAB CC(C)(C)C(=O)[C@H]1[C@H]2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@@H]2[C@H]2C=CC=NN21 103537764 PBCZZUVKQDBLBP-LVQVYYBASA-N 420.296 3.323 0 40 HGAB CC[C@@H](NC(=O)[C@@H]1CN(S(=O)(=O)CC)c2ccccc2O1)c1ccc(C)c(C)c1 218794369 HFMDPWRUHLMTDK-NQIIRXRSSA-N 416.543 3.488 0 40 HGAB CC[C@@H](C(=O)N[C@@H](C)COc1ccc(C)cc1)N(c1ccc(F)cc1)S(C)(=O)=O 219115962 LPIZWTQWPZHVCB-JXFKEZNVSA-N 422.522 3.262 0 40 HGAB COc1ccc(C)cc1N([C@H](C)C(=O)N[C@@H](C)c1ccc(F)cc1)S(C)(=O)=O 220347458 LHZYFPXSWIVHBZ-LSDHHAIUSA-N 408.495 3.175 0 40 HGAB COc1ccc(CCNC(=O)/C(=C/c2ccco2)NC(=O)c2ccc(OC)cc2)cc1 223226601 WVLUNNOMAPFYNU-JWGURIENSA-N 420.465 3.427 0 40 HGAB O=C(NCCO)[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccccc1 223351480 DBZMILACMFNTHU-XMMPIXPASA-N 402.494 3.108 0 40 HGAB COc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)cc1 223627297 GBVOTLWDMFGRGC-SFTDATJTSA-N 408.527 3.236 0 40 HGAB COc1ccc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1COc1ccccc1 224089461 CNXDRPXADBXVSA-UHFFFAOYSA-N 412.467 3.174 0 40 HGAB COCc1cccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccccc3)CC2)c1 224346167 USUHWFRUGHISPU-UHFFFAOYSA-N 402.516 3.014 0 40 HGAB COc1ccc(N(CC(=O)O)S(=O)(=O)c2ccc(OC)c(Cl)c2Cl)cc1 224616183 KSPBBADATJPZMX-UHFFFAOYSA-N 420.270 3.291 0 40 HGAB CCOCc1cc(C(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)ccc1OCC 224700940 PWIVVYATLXJBFY-UHFFFAOYSA-N 415.442 3.447 0 40 HGAB C[C@@H]1CCCCN1S(=O)(=O)c1cc(Br)c(N)c(Br)c1 226305453 GUFVAMPRWUQHEO-MRVPVSSYSA-N 412.147 3.357 0 40 HGAB FC(F)(F)c1cccc(N2CCN(C3CCN(C[C@H]4CCCCO4)CC3)CC2)n1 252490646 KYKQZGWIVCJMIX-GOSISDBHSA-N 412.500 3.256 0 40 HGAB C[C@H](C(=O)Nc1ccc(N2CCCCC2)c(F)c1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 253372455 FKTFUYNLGPEGAQ-DYFWIGMVSA-N 413.493 3.174 0 40 HGAB CCOc1ccc(CC(=O)NC[C@H]2CC[C@H](c3nn(C)c4nccnc43)CC2)cc1 257314377 UWRGVVWOUUNYSJ-IYARVYRRSA-N 407.518 3.395 0 40 HGAB O=C(c1cnccn1)N1CC[C@H](c2ccnc(Nc3cc(C(F)(F)F)ccn3)n2)C1 257314726 UYFGFCPBCJMHLH-LBPRGKRZSA-N 415.379 3.054 0 40 HGAB CCOc1ccc(NC(=O)[C@@]23C[C@H]2CN(c2c(C)cccc2C)S3(=O)=O)cc1 260843591 ZUDVTPFWBSHVNS-HRAATJIYSA-N 400.500 3.249 0 40 HGAB C[C@@H]1C=CC[C@@H]2C(=O)N(c3cccc(C(=O)Nc4cccc(C(=O)O)c4)c3)C(=O)[C@H]21 408669484 HESHQYVOKGKQPR-VMDGZTHMSA-N 404.422 3.339 0 40 HGAB O=C(N[C@H]1C(=O)N/[N+](=C\c2ccccc2Cl)[C@@H]1c1ccccc1)c1ccccc1 409060045 VAKLZXHPWMTFTJ-MKTJXXHISA-O 404.877 3.356 0 40 HGAB COCCNC(=O)CSc1nnc(CCc2ccccc2)n1-c1ccc(F)cc1 409203394 VZPNMKUWGSXYBI-UHFFFAOYSA-N 414.506 3.046 0 40 HGAB COc1cc2c(cc1OC)[C@H](NC(=O)Cc1c(C)c3ccc(O)cc3oc1=O)CC2 524730960 DSHVQDBXOWTIES-GOSISDBHSA-N 409.438 3.170 0 40 HGAB biogenic O=C1NCCOCCCCC2(CCN(C(=O)C3CC3)CC2)COc2ccccc21 643565166 UGAIHHXREXIHSD-UHFFFAOYSA-N 400.519 3.015 0 40 HGAB Cn1cc(CN2CC[C@H](O)[C@H](O)COCCCCOc3ccccc32)c2ccccc21 1615157234 CTQCJRKXUUBSNM-BJKOFHAPSA-N 424.541 3.486 0 40 HGAB O=C1CCC(=O)N1c1ccc(S(=O)(=O)NCc2cc(-c3ccco3)cs2)cc1 1775968341 CGYUHTKZGMHCSP-UHFFFAOYSA-N 416.480 3.140 0 40 HGAB Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccc(C(=O)N3CCN(C)CC3)cc2)c1C 631058 VTWVTWLXEFDPMP-UHFFFAOYSA-N 415.559 3.109 0 40 HGAB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccc(Br)c2)n2nnnc2N1 703583 CMKFUFGFPIHKBQ-MRXNPFEDSA-N 411.263 3.363 0 40 HGAB Cn1c(O)c(C(=O)Nc2ccc(I)cc2)c(=O)c2ccccc21 811398 JDTIMAVLAIBQTK-UHFFFAOYSA-N 420.206 3.101 0 40 HGAB O=C(COC(=O)[C@H]1CC(=O)N(c2ccccc2F)C1)c1ccc(Br)cc1 832735 YISQLSDDQNCCND-ZDUSSCGKSA-N 420.234 3.367 0 40 HGAB O=C(NCCc1c[nH]c2ccccc12)c1ccc(S(=O)(=O)N2CCCCC2)cc1 1097280 BBUHEYWAPWIIKH-UHFFFAOYSA-N 411.527 3.315 0 40 HGAB CC(C)Cn1c(N)c(C(=O)CSc2cc(Cl)ccc2Cl)c(=O)n(C)c1=O 2630414 NGFWBXIASZRBTO-UHFFFAOYSA-N 416.330 3.067 0 40 HGAB COc1ccccc1NC(=O)C(=O)c1cn(CC(=O)N2CCCC2)c2ccccc12 3007636 BTPHCWAQBDVOLC-UHFFFAOYSA-N 405.454 3.094 0 40 HGAB COc1ccc(C(=O)Nc2ccccc2C(=O)N[C@H](C)C(=O)N2CCCCCC2)cc1 3190300 ZZVARDORESUDFT-QGZVFWFLSA-N 423.513 3.468 0 40 HGAB O=C(CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O)Nc1cc(Cl)ccc1Cl 3343454 FMYLNKVOCIYALG-IBGZPJMESA-N 420.252 3.162 0 40 HGAB C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1ccc(Br)cc1F)C2=O 3595853 KWIWVVMCCXLFGP-QGHHPUGFSA-N 412.259 3.027 0 40 HGAB CN1CCc2c(sc(NC(=O)COc3ccc(Cl)cc3Cl)c2C(N)=O)C1 4087247 MRQISYYZOHTYKE-UHFFFAOYSA-N 414.314 3.159 0 40 HGAB CCCCc1cc(=O)oc2c3c(cc(OCC(=O)NCCCO)c12)OC(C)(C)CC3 4089790 JCTDXHHWBVKGMJ-UHFFFAOYSA-N 417.502 3.117 0 40 HGAB biogenic O=C(CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O)Nc1ccc(F)c(Cl)c1 4468884 VMOPRANTSMRQRD-HXUWFJFHSA-N 401.825 3.201 0 40 HGAB Cc1ccc(O[C@H](C)C(=O)N(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)cc1C 5025709 UHCCNVAJOSCQAE-SJORKVTESA-N 407.557 3.348 0 40 HGAB COC(=O)c1c(NC(=O)COC(=O)c2c(C)noc2C)sc2c1CCCCC2 5195813 DLAFFKIJWVOQGB-UHFFFAOYSA-N 406.460 3.204 0 40 HGAB Cc1cc(O)c(-c2[nH]nc3c2[C@H](c2ccc(F)cc2)N(CCO)C3=O)cc1Cl 5343121 MGRVJBUBUGWGDF-IBGZPJMESA-N 401.825 3.421 0 40 HGAB O=C(c1ccc(Oc2ccccc2)cc1)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 6640253 AXFDERWCVZKNKU-RXVVDRJESA-N 415.511 3.287 0 40 HGAB Cc1noc(C)c1CCC(=O)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1 7540190 BUIDQPMDFZUUOB-UHFFFAOYSA-N 405.520 3.283 0 40 HGAB C[C@@H]1Cc2cc(C(=O)N3CCC(Cc4ccccc4)CC3)ccc2N1S(C)(=O)=O 8072001 OVUZDTYUXUQHJT-QGZVFWFLSA-N 412.555 3.492 0 40 HGAB CC(=O)c1ccc(NC(=O)COC(=O)CCCC(=O)Nc2ccc(F)cc2)cc1 8417048 NVHMQXQAPFPGCA-UHFFFAOYSA-N 400.406 3.319 0 40 HGAB Cn1c(=O)oc2ccc(S(=O)(=O)Nc3ccccc3C(=O)Cc3ccccc3)cc21 8783519 RZPHWAMIFVVOKA-UHFFFAOYSA-N 422.462 3.358 0 40 HGAB CCn1c(CNC(=O)c2ccco2)nnc1SCC(=O)c1cn(C)c2ccccc12 9095966 OOEMBHXQRIQATR-UHFFFAOYSA-N 423.498 3.288 0 40 HGAB COc1cccc([C@@H]2c3c(C)nn(C)c3NC(=O)[C@H]2NC(=O)c2ccc(Cl)cc2)c1 9252674 JDZWHHDNXKJFNP-MOPGFXCFSA-N 424.888 3.273 0 40 HGAB Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)nc(CCn2ccccc2=O)n3C)cc1 9410880 VEQAMGJEVHDLKU-UHFFFAOYSA-N 422.510 3.087 0 40 HGAB CN(Cc1ccccc1)C(=O)CSc1ccc(S(=O)(=O)N2CCCC2)cc1 10010141 BQELWIWOFQLOCG-UHFFFAOYSA-N 404.557 3.222 0 40 HGAB COc1ccc(NC(=O)[C@@H](C)Sc2ccc(-n3nc(C)cc3C)nn2)cc1OC 11141807 HFMWTUMZIMSDOT-CQSZACIVSA-N 413.503 3.416 0 40 HGAB COc1ccc(N(CC(F)(F)F)C(=O)CN(C)Cc2ccc3c(c2)OCCO3)cc1 11231554 NRUHKSOWCVOTMG-UHFFFAOYSA-N 424.419 3.494 0 40 HGAB COc1ccc(N2C[C@H](C(=O)NCCc3ccc(Cl)cc3)CC2=O)c(OC)c1 12607903 IATDTVOWSUHETG-OAHLLOKOSA-N 402.878 3.069 0 40 HGAB C[C@@H](NC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)c1ccc2c(c1)OCCO2 12790995 AUKUNEXOWGSWCU-OAHLLOKOSA-N 412.461 3.327 0 40 HGAB CSc1ccc(N2C[C@H](C(=O)Nc3cc(NC(C)=O)ccc3F)CC2=O)cc1 12852870 BDAYTEMISSMTEC-CYBMUJFWSA-N 401.463 3.498 0 40 HGAB CN1CCN(C(=O)COc2ccc(Br)cc2)c2nc3ccccc3nc21 12937072 FCTXWAQRXVSPLS-UHFFFAOYSA-N 413.275 3.254 0 40 HGAB CN(CC(=O)Nc1ccc2c(c1)Cc1ccccc1-2)C1=NS(=O)(=O)c2ccccc21 12978252 QTUNSIDHDGBQSS-UHFFFAOYSA-N 417.490 3.277 0 40 HGAB COc1ccc(C(C)=O)cc1CS(=O)(=O)CC(=O)Nc1nc2ccccc2s1 13038248 JCFGVJDMHRMZKL-UHFFFAOYSA-N 418.496 3.061 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)CN(C)Cc2ccccc2F)c1 13058023 YJADLZPWQDCDGG-UHFFFAOYSA-N 421.538 3.235 0 40 HGAB CCc1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)NCc2ccco2)cc1 13137135 QOOFXIOFYYQTKI-UHFFFAOYSA-N 414.483 3.338 0 40 HGAB CCOC(=O)C1=C(C)Nc2nc(SCC(=O)OC)nn2[C@H]1c1ccc(Cl)cc1 14163474 CDBFYXZDIXUJIZ-HNNXBMFYSA-N 422.894 3.049 0 40 HGAB CC1CCN(C(=O)[C@@H](C)OC(=O)CCNC(=O)c2ccc(C(C)(C)C)cc2)CC1 14198278 MITCYHVUZKQBGS-QGZVFWFLSA-N 402.535 3.294 0 40 HGAB COc1cc(/C=C/C(=O)N[C@H](C(N)=O)c2ccccc2)cc(Cl)c1OC(C)C 14199543 NRQFMJFOAJZTJN-YXBWYFRISA-N 402.878 3.492 0 40 HGAB COc1c(Br)c([C@H]2ON=C(CO)[C@@H]2C)c(Br)c2c1OCO2 15085865 XNTSHSRZVGLOGX-RRAGMBSWSA-N 423.057 3.005 0 40 HGAB O=C(CN1CCCN(c2ccc(C(F)(F)F)cn2)CC1)NCc1ccc(F)cc1 15523960 GXHFIPCHRMZCOS-UHFFFAOYSA-N 410.415 3.068 0 40 HGAB CCCCNS(=O)(=O)c1cccc(NC(=O)c2ccc(N3CCCC3=O)cc2)c1 15568974 HFJGDQHSUJEWFY-UHFFFAOYSA-N 415.515 3.144 0 40 HGAB C[C@H](Oc1ccccc1F)C(=O)N1CCN([C@@H](c2ccccc2)c2nccn2C)CC1 19079092 UZIBAIJZACQJMX-AVRDEDQJSA-N 422.504 3.260 0 40 HGAB Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)Nc1nc(C)cs1)CC1(CCOCC1)O2 19218674 GMPFTAVNQLYJBZ-OAHLLOKOSA-N 415.515 3.171 0 40 HGAB Cc1ncsc1C(=O)N(C[C@@H]1CCCO1)c1nc2c(s1)CCc1c-2cnn1C 19561984 HZRJTVGRZBLAKC-LBPRGKRZSA-N 415.544 3.233 0 40 HGAB COc1cccc([C@]2(O)CCC[C@H]3CN(C(=O)c4ccc(Cn5ccnc5)o4)C[C@@H]32)c1 19565039 PUOVVUAOMKNVBT-CODAWKSHSA-N 421.497 3.293 0 40 HGAB COc1ccc(-c2cc3nc([C@H](C)NC(=O)Cc4cc(F)ccc4F)nn3cn2)cc1 19574440 SPTJTBUXEALKMG-ZDUSSCGKSA-N 423.423 3.498 0 40 HGAB CNc1nc([C@@H]2CCCCN2C(=O)CCc2ccc(OC)cc2)nc2c1CN(C)CC2 19710423 HYWYPCJDAGLSIO-NRFANRHFSA-N 423.561 3.201 0 40 HGAB Cc1nc([C@@H]2CCCN2C(=O)C(C)C)nc2c1CC(=O)N2CCc1ccccc1F 19739903 JLHOJWSFRKBCOR-IBGZPJMESA-N 410.493 3.375 0 40 HGAB CC(=O)N1CCC[C@@H]1c1nc(CN(C)Cc2cccc3ncccc23)cc(N(C)C)n1 19760324 BHORSUBFJPSUIG-JOCHJYFZSA-N 418.545 3.406 0 40 HGAB CC(=O)Nc1ccc(OC[C@H](O)CN2CCN(c3cc(Cl)ccc3C)CC2)cc1 20029123 CQJWMVQUXRHEJA-HXUWFJFHSA-N 417.937 3.169 0 40 HGAB O=S(=O)(c1ccc(OCc2cc(-c3cccs3)on2)cc1)N1CCOCC1 22068984 RGIMTSICKFLZOG-UHFFFAOYSA-N 406.485 3.003 0 40 HGAB CN(Cc1c(F)cccc1Cl)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 22402576 FWHXJNNYVMDEJM-UHFFFAOYSA-N 419.305 3.412 0 40 HGAB CCCNC(=O)c1cc(Br)c(C(=O)NCCC)cc1Br 22624072 FXCIXNSRYPAXQF-UHFFFAOYSA-N 406.118 3.491 0 40 HGAB COc1ccc([C@H](CNCc2ccc(OC(F)F)c(OC)c2)N2CCOCC2)cc1 22789503 UCCUDYXXDBBGLU-IBGZPJMESA-N 422.472 3.468 0 40 HGAB Cc1cccc(C)c1NC(=O)CN1CCN([C@H](C)C(=O)N[C@H](C)c2ccccc2)CC1 22928894 PANHQWMOSYVCBO-NHCUHLMSSA-N 422.573 3.125 0 40 HGAB CN(Cc1ccc(OC(F)F)cc1)C(=O)c1ccc(N2CCCS2(=O)=O)cc1 24352817 GHOAXPXXIACWJW-UHFFFAOYSA-N 410.442 3.100 0 40 HGAB COc1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccccc3F)CC2)cc1 24612942 HCWVYSNNQPEDQS-UHFFFAOYSA-N 406.479 3.015 0 40 HGAB NS(=O)(=O)c1ccc(OCCOC(=O)c2sccc2-c2ccccc2)cc1 27268262 PPTUOOSIFMQUBN-UHFFFAOYSA-N 403.481 3.298 0 40 HGAB COCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)c(F)c2)n2c1nc1ccccc12 30937512 YVPLSDMLBHPCAC-GOSISDBHSA-N 414.412 3.268 0 40 HGAB COc1ccc([C@H](c2sc3nc(C)nn3c2O)N2C[C@@H](C)O[C@H](C)C2)cc1OC 34705595 HPWZRYPYZLSORA-PSTGCABASA-N 418.519 3.021 0 40 HGAB O=C(O)CCC(=O)N1Cc2[nH]cnc2C[C@H]1c1nc(-c2ccc3ccccc3c2)no1 35442239 ILOPZQWTQBBJQG-SFHVURJKSA-N 417.425 3.104 0 40 HGAB biogenic,in-vitro COc1ccc(Cn2ccc3nc4ncnn4c(-c4ccccc4)c3c2=O)cc1OC 36353177 KGHDUQDQSMJWCU-UHFFFAOYSA-N 413.437 3.172 0 40 HGAB CCc1c(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cnn1-c1ccccc1 36391836 QNRROUXNJYLXGL-UHFFFAOYSA-N 424.526 3.472 0 40 HGAB CC(C)CC[C@@H](C)N(C[C@H](O)COCc1ccco1)C[C@H](O)COCc1ccco1 37474972 GMVQJAPQQYZGFA-HKBOAZHASA-N 423.550 3.455 0 40 HGAB O=C(NCc1ccc(S(=O)(=O)N2CCCC2)s1)Nc1ccc2c(c1)CCC2 40103344 BOWCEZNXHFFLSV-UHFFFAOYSA-N 405.545 3.343 0 40 HGAB COc1ccc([C@H](C)NC(=O)[C@H]2CCCN(S(=O)(=O)c3cccs3)C2)cc1 44904351 RHCJGNRHSQVNRK-HOCLYGCPSA-N 408.545 3.035 0 40 HGAB O=C(NCc1cn2ccccc2n1)c1cccc(CS(=O)(=O)c2ccccc2)c1 45015513 ALPROZCPUTZLPA-UHFFFAOYSA-N 405.479 3.238 0 40 HGAB CC(=O)NCc1ccc(C(=O)Cn2cnc3c(Cl)cc(Cl)cc3c2=O)s1 45396774 LYWXUZDNIHFTMG-UHFFFAOYSA-N 410.282 3.284 0 40 HGAB CCCCOC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1ccc(OC)c(Br)c1 45896174 PJZGGFFEAVNHQX-OAHLLOKOSA-N 422.283 3.076 0 40 HGAB COc1cccc(-c2nc(CN3C(=O)N[C@](C)(c4ccco4)C3=O)cs2)c1OC 47354356 AYZXGAXKCNSJGZ-HXUWFJFHSA-N 413.455 3.388 0 40 HGAB CCCn1c(SCC(=O)NCc2cccc(OC)c2)nc2ccsc2c1=O 57478512 NGUULQNEANZNQF-UHFFFAOYSA-N 403.529 3.285 0 40 HGAB CC(=O)Nc1ccc2c(COC(=O)C[C@@H](C)NC(=O)c3ccccc3)cc(=O)oc2c1 57713809 DUXGOTAIZHGYOV-CQSZACIVSA-N 422.437 3.003 0 40 HGAB Cc1cccc(N2CCN(C[C@H]3C(=O)O[C@@H]4CC5=CCC[C@@H](C)[C@@]5(C)[C@H](O)[C@H]34)CC2)c1 61997549 VPMFYHWUKMLBMB-ZKNOEPHOSA-N 424.585 3.402 0 40 HGAB CS(=O)(=O)N(CC(=O)Nc1ccc(F)cc1F)c1ccccc1Br 63459512 XUYWUUGLERCCPS-UHFFFAOYSA-N 419.247 3.132 0 40 HGAB CC(=O)Nc1cc(-c2ccccc2)nn(CC(=O)Nc2ccc(F)c(Cl)c2)c1=O 64604807 KRZNRQACRXJYFA-UHFFFAOYSA-N 414.824 3.300 0 40 HGAB CCCN(CCC)C(=O)CSc1nc2cc(C)[nH]c2c(=O)n1Cc1ccco1 67236275 CDTCQEALIMGHRD-UHFFFAOYSA-N 402.520 3.415 0 40 HGAB O=C1CN(c2ccc(NC(=O)[C@H]3C[C@@H]3c3cccc(Br)c3)cc2)CCN1 71846776 MNXSPOAQKPKDGR-MSOLQXFVSA-N 414.303 3.128 0 40 HGAB CCc1nc(-c2cncnc2[C@@H]2CCCN(C(=O)Cc3ccc(OC)cc3)C2)no1 72356145 JTUVZTKTLOFBSZ-MRXNPFEDSA-N 407.474 3.046 0 40 HGAB Cc1cc(Nc2cnccn2)cc([C@H]2CCCN(S(=O)(=O)C3CCCC3)C2)n1 72375058 VSYOPPSDKWLPND-INIZCTEOSA-N 401.536 3.375 0 40 HGAB Cc1nsc(N2CCCN(C(=O)c3cc(Cc4ccccc4)ccc3O)CC2)n1 78947268 ACRPOCQBMVNKNH-UHFFFAOYSA-N 408.527 3.495 0 40 HGAB Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1C(=O)Nc1nnc(C2CCCCC2)s1 79494891 RVAYWLYXRQVVGR-AWEZNQCLSA-N 423.564 3.011 0 40 HGAB O=S(=O)(N1CCCC1)N1[C@H]2CC[C@@H](C2)[C@H]1COc1cccc(C(F)(F)F)c1 100112671 PMERYZRFVXHACU-JLJPHGGASA-N 404.454 3.278 0 40 HGAB CCOc1ccccc1N(CCCC(=O)NCc1ccc(C)cc1)S(C)(=O)=O 113962484 NYBYWLRFBCYLAK-UHFFFAOYSA-N 404.532 3.256 0 40 HGAB CCOc1ccccc1CCCNC(=O)[C@H](CC)N(c1ccccc1)S(C)(=O)=O 219082389 DGGZFVYXSVQRHV-FQEVSTJZSA-N 418.559 3.379 0 40 HGAB COc1ccc(C)cc1N([C@@H](C)C(=O)N[C@@H](C)c1ccc(C)cc1)S(C)(=O)=O 220347237 YVSOAMKZBWBDRF-IRXDYDNUSA-N 404.532 3.344 0 40 HGAB CC[C@@H](C)NS(=O)(=O)c1ccc(OCC(=O)N2c3ccccc3C[C@H]2C)cc1 222658830 KUOFLCPACICYRV-HZPDHXFCSA-N 402.516 3.120 0 40 HGAB CNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CSCc1ccc(OC)cc1 222875350 UYQDEFAYDMKNQO-QGZVFWFLSA-N 400.544 3.134 0 40 HGAB COC(=O)c1ccc(NC[C@@H]2CCCO2)c(S(=O)(=O)Nc2ccc(C)cc2)c1 223411232 IDEDNTAYRNENDC-KRWDZBQOSA-N 404.488 3.173 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCCOCc1ccccc1 224099145 VILQDJDHQXJZBC-UHFFFAOYSA-N 416.543 3.116 0 40 HGAB CCOc1ccc(C(=O)N2CCCC2)cc1CN(c1ccc(F)cc1)S(C)(=O)=O 224804706 USJYSWDMFNIHLH-UHFFFAOYSA-N 420.506 3.427 0 40 HGAB COc1ccc(S(=O)(=O)N(C)CC(=O)NCCCc2ccc(C(C)C)cc2)cc1 224940250 PSGDCBCTWMMXIR-UHFFFAOYSA-N 418.559 3.188 0 40 HGAB CC(C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCc1ccc2c(c1)OCCO2 225474132 MTSAWJADRDQBPE-GOSISDBHSA-N 410.514 3.332 0 40 HGAB COC(=O)c1cc(S(=O)(=O)NCC2(c3ccccc3)CCOCC2)ccc1Cl 225663071 NZUNWYUXPMWUNA-UHFFFAOYSA-N 423.918 3.153 0 40 HGAB O=C(c1cc(-c2cccnc2)on1)N1CC[C@H](Oc2cc(C(F)(F)F)ccn2)C1 225733368 ZGNDYGWLOZIWOY-AWEZNQCLSA-N 404.348 3.444 0 40 HGAB CC(C)S(=O)(=O)c1ccc(CC(=O)N2CC[C@@H](c3ccc4c(c3)OCO4)C2)cc1 238829381 FNWIGZYZIBMZEK-GOSISDBHSA-N 415.511 3.156 0 40 HGAB CC(C)(CC(=O)O)CC(=O)N1C[C@@H](c2ccc(F)cc2)[C@@]2(CCCCC(=O)N2)C1 257332324 XWTYJDFINUZOGH-HTAPYJJXSA-N 404.482 3.072 0 40 HGAB CCc1ccccc1N1C[C@H](C(=O)Oc2ccc(N3C(=O)CCC3=O)c(C)c2)CC1=O 408643233 QRCNUQGMWPLAMO-QGZVFWFLSA-N 420.465 3.169 0 40 HGAB COc1cc([C@H]2CC(=O)N=C3N=CNN32)cc(Cl)c1OCc1cccc(F)c1 409376018 SGLBIXAEQWXEIQ-OAHLLOKOSA-N 402.813 3.243 0 40 HGAB Cn1cc(C[C@H](CNC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)cn1 521394028 QRBRWXDSSLZBEA-MRXNPFEDSA-N 405.454 3.202 0 40 HGAB O=C(Cc1cccc2ccccc12)NCCN1c2ccccc2N(C2CC2)S1(=O)=O 585147734 VUTBZHBVKAJHCB-UHFFFAOYSA-N 421.522 3.232 0 40 HGAB NC(=O)[C@]1(c2ccccn2)CCCN(CC(=O)N(c2ccccc2)c2ccccc2)C1 585261830 SBKWXDAHOHDRFJ-RUZDIDTESA-N 414.509 3.265 0 40 HGAB Cc1[nH]c2ccc(F)cc2c1CCNC(=O)N1CCN(C(=O)c2ccccc2)CC1 1683248125 UPAGNHTUGIJYPT-UHFFFAOYSA-N 408.477 3.326 0 40 HGAB Cc1cc(C)n(-c2cc(OCC3CCN(Cc4cn5ccccc5n4)CC3)ncn2)n1 1775971389 ZTAWWKUPWHZTER-UHFFFAOYSA-N 417.517 3.218 0 40 HGAB Cn1cc(-c2cnc(OC3CCN(C[C@@H]4OCCc5ccccc54)CC3)nc2)cn1 1889205671 YPVHUYDHECNAQB-QFIPXVFZSA-N 405.502 3.034 0 40 HGAB COc1ccc(N(CC(=O)Nc2ccc(Cl)cc2)S(C)(=O)=O)cc1Cl 827715 SXZYBHGEFNEPME-UHFFFAOYSA-N 403.287 3.407 0 40 HGAB CC(C)C(=O)N[C@H](NC(=S)Nc1ccc(Cl)cn1)C(Cl)(Cl)Cl 2682770 NUYVCYULKBUANS-SNVBAGLBSA-N 404.150 3.490 0 40 HGAB CCOC(=O)CC(=O)CSc1nc2ccsc2c(=O)n1Cc1ccc(F)cc1 3059150 FPMBEJZBNHUCOD-UHFFFAOYSA-N 420.487 3.260 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCc2ccc(OC)cc2)c1 3204283 NQHJWGVYQJRFOB-UHFFFAOYSA-N 424.950 3.352 0 40 HGAB O=C1c2ccccc2S(=O)(=O)c2cc(C(=O)N3CCc4ccccc4C3)ccc21 3216725 QTQBYTZYWHVYSD-UHFFFAOYSA-N 403.459 3.262 0 40 HGAB COc1ccc(NC(=S)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1 3287858 GORTZMCBZIIFOQ-UHFFFAOYSA-N 415.500 3.095 0 40 HGAB CCN(C(=O)COC(=O)c1nc2nc(C)cc(C)n2n1)c1cccc2ccccc12 3362441 XHKLBXNWGMJGON-UHFFFAOYSA-N 403.442 3.104 0 40 HGAB NC(=O)c1ccsc1NC(=O)COC(=O)CSc1ccc2ccccc2c1 3418416 VRIMMGPAOZWYHN-UHFFFAOYSA-N 400.481 3.274 0 40 HGAB COCCN(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C(=O)c1ccccc1Cl 4860930 QHVJPPQCBLDCSM-UHFFFAOYSA-N 414.845 3.199 0 40 HGAB COc1cc([C@@H]2CC(=O)N(c3cc(C)cc(C)c3)C3=C2C(=O)OC3)cc(OC)c1O 4944691 ONAQLARPCRYAOM-INIZCTEOSA-N 409.438 3.358 0 40 HGAB CCn1c(SCC(=O)Nc2ccc(C(N)=O)cc2)nnc1-c1ccc(Cl)cc1 5309511 ZGTQQDPGWNADMG-UHFFFAOYSA-N 415.906 3.448 0 40 HGAB COC(=O)c1ccccc1NC(=O)CSc1nnc(Cc2ccc(OC)cc2)o1 5788793 KCUUCDZTTRXONQ-UHFFFAOYSA-N 413.455 3.186 0 40 HGAB CCn1nnc2cc(C(=O)OCC(=O)c3cc(C)n(-c4cc(C)on4)c3C)ccc21 5805385 NCTSNSGOABHXSQ-UHFFFAOYSA-N 407.430 3.195 0 40 HGAB C[C@H](NC(=O)Cn1cnc2sc3c(c2c1=O)CCCC3)c1ccc(F)cc1F 6551899 XEWTZFUNGYXAII-NSHDSACASA-N 403.454 3.492 0 40 HGAB C[C@@H]1CCC[C@H](n2c(SCc3nc(N)nc(N)n3)nc3ccccc3c2=O)[C@@H]1C 7182620 BGYZKAIYYUALGU-JMSVASOKSA-N 411.535 3.035 0 40 HGAB CN(Cc1ccccc1)C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 8091287 WQWJZRKAQMATAO-QGZVFWFLSA-N 406.935 3.399 0 40 HGAB CN(CC(=O)N1CCN(c2ccc(O)cc2)CC1)Cc1ccccc1N1CCCCC1 8157277 ZBXWRBPPNZOCOX-UHFFFAOYSA-N 422.573 3.163 0 40 HGAB CC(C)CNC(=O)NC(=O)CNc1ccccc1C(=O)Nc1ccc(Cl)cc1 8721161 RUIFRCWCSZRDNO-UHFFFAOYSA-N 402.882 3.486 0 40 HGAB COc1ccc(-n2c(=O)c(CCC(=O)NCc3ccco3)nc3ccccc32)cc1 9512886 YBXWUTZRMNSYPE-UHFFFAOYSA-N 403.438 3.236 0 40 HGAB CS(=O)(=O)c1ccc(-c2ccc(NS(=O)(=O)c3ccccc3Cl)cc2)nn1 9650579 SHBULDLWBBRUII-UHFFFAOYSA-N 423.903 3.001 0 40 HGAB CCn1cc(C(=O)Nc2ccc3c(c2)OCO3)c2nn(-c3ccccc3)c(=O)c-2c1 9661466 JIMBUVUYEURWAO-UHFFFAOYSA-N 402.410 3.140 0 40 HGAB COc1ccccc1CNC(=O)CSc1nnc2ccc(-c3ccc(F)cc3)nn12 9829133 ZUMDSPXCJQPZEJ-UHFFFAOYSA-N 423.473 3.348 0 40 HGAB CS(=O)(=O)N(CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1C2)c1ccc(Cl)c(C(F)(F)F)c1 9948765 LSFUTDBQIOCTAF-FIXISWKDSA-N 424.872 3.430 0 40 HGAB CC(=O)c1c(C)[nH]c(C(=O)NCCN2C(=O)S/C(=C\c3ccccc3)C2=O)c1C 10219989 AWPQVHJFYRPGIV-WJDWOHSUSA-N 411.483 3.300 0 40 HGAB CC(C)c1ccc(CCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 10330578 FNAHVYHTUXBOHZ-UHFFFAOYSA-N 416.543 3.402 0 40 HGAB O=C(NCCc1ccc2c(c1)OCCO2)c1nn(-c2ccc(F)cc2)c2c1CCC2 11238841 FROXLDZBGBIDCO-UHFFFAOYSA-N 407.445 3.244 0 40 HGAB COc1ccc(Cl)c2sc(N(CCCN(C)C)C(=O)c3ccn(C)n3)nc12 11695521 LGUKCSTUUWAPGJ-UHFFFAOYSA-N 407.927 3.290 0 40 HGAB COc1cc(C(=O)N(C)Cc2nc(C)ncc2-c2ccncc2)cc(OC)c1OC 12088865 HKCWPTCNXJRLIA-UHFFFAOYSA-N 408.458 3.145 0 40 HGAB COc1ccc(CC(=O)N2CCC[C@@H](c3cc4nc(C)c(C)c(O)n4n3)C2)cc1OC 12134205 OVWLDYLWQGLENC-QGZVFWFLSA-N 424.501 3.018 0 40 HGAB CCc1cc(C(=O)N2CCC([C@@H](NC(=O)C(C)(C)C)c3nccs3)CC2)on1 12365786 MASGJQSZUBKNHN-MRXNPFEDSA-N 404.536 3.449 0 40 HGAB Cc1ccccc1N1CCn2c1nc1c2c(=O)n(C/C=C/c2ccccc2)c(=O)n1C 12538511 UTODRQGYFVNLNO-XYOKQWHBSA-N 413.481 3.070 0 40 HGAB CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)N2CC[C@@H]3CCCC[C@H]3C2)c1 12606279 KBTYRGWEUHJUTI-ROUUACIJSA-N 419.591 3.189 0 40 HGAB CCc1ccc([C@@H](CNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(C)=O)N(C)C)cc1 12745546 PILMHKQQMRAWJD-DNQXCXABSA-N 420.557 3.197 0 40 HGAB O=c1cc(N2CCN(Cc3csc(-c4ccsc4)n3)CC2)nc2ccccn12 12903306 WOMNWXDBQJQOCQ-UHFFFAOYSA-N 409.540 3.202 0 40 HGAB COc1cc(OC)c(NC(=O)CCN2C(=O)[C@@H](C)Oc3ccccc32)cc1Cl 12913800 JJIFQEWEEIYRHO-GFCCVEGCSA-N 404.850 3.500 0 40 HGAB Cc1ccc(Cl)cc1NS(=O)(=O)c1ccn(S(=O)(=O)c2ccccc2)c1 13585724 AYQRTKUMOQVZPO-UHFFFAOYSA-N 410.904 3.488 0 40 HGAB COc1ccccc1CCNC(=O)[C@@H]1CCCN(C(=O)c2ccc3cc[nH]c3c2)C1 13689827 ABWGNVBDGVTPGE-HXUWFJFHSA-N 405.498 3.388 0 40 HGAB C[C@@H](c1ccccc1)N1C[C@H](C(=O)NCc2ccc(N3CCCC3=O)cc2)CC1=O 14168045 PYBYDQVGJLFCHJ-FXAWDEMLSA-N 405.498 3.039 0 40 HGAB Cc1ccc(S(=O)(=O)Nc2nc(CC(=O)NCc3ccc(F)cc3)cs2)cc1 17051041 FTXNFNWTMHBGJK-UHFFFAOYSA-N 419.503 3.250 0 40 HGAB Cc1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](C1CCN(C(=O)Cc3ccccn3)CC1)N2 19128851 IRFOZTRAGYYPCR-DLBZAZTESA-N 407.440 3.355 0 40 HGAB CC(C)OCc1ccc(C(=O)N2CCN([C@@H](c3ccccc3)c3nccn3C)CC2)o1 19450474 ITQVKAWVYLVDDP-QFIPXVFZSA-N 422.529 3.486 0 40 HGAB COc1ccc(CN2CCC(c3n[nH]cc3C(=O)N3C[C@H](C)O[C@H](C)C3)CC2)cc1 19497328 XNPVNHNHCLHSGT-CALCHBBNSA-N 412.534 3.047 0 40 HGAB Cc1nc(NCCC(=O)NCCn2nc(C)c(C)c2C)c2c(C)c(C)sc2n1 19557218 YRJJAKQJXFTANX-UHFFFAOYSA-N 400.552 3.357 0 40 HGAB O=C(c1n[nH]c2c1CCCCCC2)N1CCO[C@@H](c2ccc(-c3cncnc3)cn2)C1 19693588 JBHSLCLOAJDOCK-OAQYLSRUSA-N 418.501 3.134 0 40 HGAB CN(C)c1ncc(-c2ccc(C(N)=O)cc2)c([C@H]2CCCN(C(=O)C3CCCC3)C2)n1 19694034 GGUCVROIUOEWLO-IBGZPJMESA-N 421.545 3.205 0 40 HGAB CNC(=O)c1sc2ncccc2c1[C@H]1CN(Cc2cnc(C(C)C)nc2)CCO1 19703341 MEVFYMRUROHPGC-MRXNPFEDSA-N 411.531 3.143 0 40 HGAB Cc1ccc(N2C[C@@H](C(=O)Nc3nc(-c4cn(C)nc4C)cs3)CC2=O)c(C)c1 19714980 QKMVEARVPZJWPP-HNNXBMFYSA-N 409.515 3.460 0 40 HGAB COC(=O)C1=C(C)N(c2ccccc2)C(=O)C[C@H]1C(=O)Nc1ccc(NC(C)=O)cc1 19819035 KTQXTVYESOQANH-LJQANCHMSA-N 421.453 3.084 0 40 HGAB O=C(O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccc(Cl)cc1 20061321 YYKVNZKBSXUOLP-UHFFFAOYSA-N 404.669 3.382 0 40 HGAB Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccccc1)N(CCCN1CCOCC1)C3=O 20308583 JUQUHVBYPKWHNK-QFIPXVFZSA-N 418.493 3.369 0 40 HGAB COC(=O)c1c(NC(=O)c2cccc(CN3CCOCC3)c2)sc2c1CCCC2 20483623 HXUBCYHSMPSMQM-UHFFFAOYSA-N 414.527 3.498 0 40 HGAB CCOC(=O)[C@](NC(=O)c1ccc(OC)cc1)(Nc1ccc(C)cn1)C(F)(F)F 20502744 PVYFBVHAHBKXAG-GOSISDBHSA-N 411.380 3.062 0 40 HGAB COc1ccc2c(ccn2CCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)c1 20763677 OXCSPHWGLNUPJC-FQEVSTJZSA-N 405.454 3.333 0 40 HGAB biogenic CCS(=O)(=O)N(C)c1cc(OC)c(OC)cc1C(=O)Nc1cccc(SC)c1 22252820 XVKRTPUSCYDARM-UHFFFAOYSA-N 424.544 3.464 0 40 HGAB COc1ccc(OC)c(S(=O)(=O)N2CCC[C@@H](c3nnc(CC(C)(C)C)o3)C2)c1 23140381 AINMATBTTSBOQI-CQSZACIVSA-N 423.535 3.244 0 40 HGAB COc1ccc(CCNC(=O)Cn2c(-c3ccccn3)nc3ccccc32)cc1OC 23144078 UNVNXKRTFTXIRQ-UHFFFAOYSA-N 416.481 3.474 0 40 HGAB COc1ccc(C(NC(=O)COc2ccc(C(N)=O)cc2)c2ccc(OC)cc2)cc1 26565752 DODGESITCXUIBJ-UHFFFAOYSA-N 420.465 3.087 0 40 HGAB Cc1ccc(-c2csc(NC(=O)CSc3nnc(-c4ccncc4)n3N)n2)cc1 28047807 VUCXLGMUMJVNQB-UHFFFAOYSA-N 423.527 3.217 0 40 HGAB CSc1cccc(N2C[C@H](C(=O)N[C@@H](C)c3ccc(-n4cncn4)cc3)CC2=O)c1 28668723 CHJUCMRIVNMECP-DOTOQJQBSA-N 421.526 3.220 0 40 HGAB CC(=O)Nc1ccc(OC[C@H](O)Cn2cnc3c(Cl)cc(Cl)cc3c2=O)cc1 30531017 ITXDSHJDRUCBFS-CQSZACIVSA-N 422.268 3.102 0 40 HGAB Cc1ccc2nc(C)c(C(=O)N3CCC(C(=O)NCc4cccnc4)CC3)cc2c1 30654253 XTPKFEQPZCUDOA-UHFFFAOYSA-N 402.498 3.415 0 40 HGAB O=C([C@@H]1CC(=O)N(c2ccccc2Br)C1)N1CCc2sccc2C1 32795914 SVZJOVUXSOHURI-CYBMUJFWSA-N 405.317 3.448 0 40 HGAB Cc1ccc(SCC(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)cc1C 35284069 GJKSKOWIRWUEAR-UHFFFAOYSA-N 415.534 3.318 0 40 HGAB COc1ccccc1N1CCN([C@H](c2nnnn2Cc2cccs2)C(C)C)CC1 35310989 FZUJCHZMXVJYCZ-FQEVSTJZSA-N 412.563 3.311 0 40 HGAB Cc1ccc(NS(=O)(=O)CCNC(=O)c2cccc(Br)c2)cc1F 36394879 IPNGMKLCWCICHC-UHFFFAOYSA-N 415.284 3.068 0 40 HGAB CC[C@@H](C)[C@@H](CO)NC(=O)[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(C)C 36579984 DQVCUIMSLAVQPE-JMUQELJHSA-N 410.558 3.483 0 40 HGAB Cc1sc2ncn(CCC(=O)NCc3ccccc3Cn3ccnc3)c(=O)c2c1C 40040087 NXJNGIZXRLGJHH-UHFFFAOYSA-N 421.526 3.026 0 40 HGAB C[C@H]1C[C@@H](C(N)=O)c2ccccc2N1C(=O)c1ccccc1I 40069774 MPJACOWFFIYZHX-SMDDNHRTSA-N 420.250 3.299 0 40 HGAB Cc1cc(C(=O)NC2CCCCC2)ccc1NC(=O)NCCCCN1CCOCC1 48286653 NKHCCPWFYIZQGA-UHFFFAOYSA-N 416.566 3.291 0 40 HGAB COc1ccccc1N1CCN(C(=O)c2nnn(-c3cccc(Cl)c3)c2C)CC1 51317393 JAXXGNFJGDSEGF-UHFFFAOYSA-N 411.893 3.200 0 40 HGAB CC(C)CC(=O)N1CCN(c2ccc(NC(=S)NC(=O)C(C)(C)C)cc2)CC1 57316614 NGADRQORJZFTLR-UHFFFAOYSA-N 404.580 3.240 0 40 HGAB Cc1cccc(-n2c(SCC(=O)NC[C@@H]3CCCO3)nc3ccsc3c2=O)c1 57487395 AZWHTFCEHYAHCD-HNNXBMFYSA-N 415.540 3.143 0 40 HGAB CCOc1ccc(C(=O)CSc2nnc3c(=O)n(-c4ccc(F)cc4)ccn23)cc1 64593276 KZNHAQQSOLWEHM-UHFFFAOYSA-N 424.457 3.393 0 40 HGAB O=C(Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2Cc2ccccc2)cc1)C1CCCC1 67896433 USWXMCRYRAVHEY-FYYLOGMGSA-N 408.498 3.276 0 40 HGAB biogenic,in-vitro NC(=O)[C@@H](NC(=O)c1cc(-c2ccccc2)on1)c1cccc(Br)c1 84560085 APZIUHAFHLNHKD-INIZCTEOSA-N 400.232 3.061 0 40 HGAB O=S(=O)(c1cccnc1)N1CCC[C@H](c2nnc(-c3ccccc3F)s2)C1 90557758 LBKSWLLQAHCFLC-ZDUSSCGKSA-N 404.492 3.308 0 40 HGAB Cn1nc(N2CCC[C@@H](C(=O)Nc3cc(C(F)(F)F)ccc3Cl)C2)ccc1=O 90592432 RZCVQRGEVVPVGG-LLVKDONJSA-N 414.815 3.308 0 40 HGAB O=C(NC[C@@H]1CCCN(C(=O)c2ccccc2-n2cccn2)C1)c1ccncc1Cl 95435118 LHRDTUMEJUTXGW-INIZCTEOSA-N 423.904 3.203 0 40 HGAB CC(=O)N1CCN(Cc2cccc(NC(=O)[C@H]3CCC[C@H](C(F)(F)F)C3)n2)CC1 95444943 XRONVSUTYADNGH-HOTGVXAUSA-N 412.456 3.053 0 40 HGAB CCN1C[C@]2(CC1=O)CN(Cc1cccs1)CCN(C(=O)Nc1ccccc1)C2 96036252 YPAYTBREPRNEJW-QFIPXVFZSA-N 412.559 3.336 0 40 HGAB COC(=O)C[C@@H](c1cc(OC)c2c(c1)OCCO2)c1c(O)n[nH]c1Cc1ccccc1 96115594 KSMPWRSVPKJHQJ-INIZCTEOSA-N 424.453 3.181 0 40 HGAB biogenic CC(=O)c1c(C)[nH]c(C(=O)NCCN2C(=O)S/C(=C/c3ccccc3)C2=O)c1C 97985864 AWPQVHJFYRPGIV-LFIBNONCSA-N 411.483 3.300 0 40 HGAB COc1ccc(-c2cc3ncc4c(n3n2)C[C@H]2CC[C@H]4N2Cc2ccnn2C)cc1 100724227 JGEWEMWLNVZCQA-IIBYNOLFSA-N 400.486 3.400 0 40 HGAB C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccccc1C(=O)N1CCOCC1 223131225 OBRYZOCHURJCKU-QGZVFWFLSA-N 408.498 3.444 0 40 HGAB Cn1c(=O)sc2cc(S(=O)(=O)NCCOc3ccc(C(C)(C)C)cc3)ccc21 223662414 YROBTNIAJAJAKE-UHFFFAOYSA-N 420.556 3.255 0 40 HGAB COc1ccccc1N1CCN(S(=O)(=O)c2cc3c(cc2OC)CCCC3)CC1 224519027 CCXMMIREPRTPLQ-UHFFFAOYSA-N 416.543 3.094 0 40 HGAB CCOC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1Cl 224816066 ZWOSEWATFJQFTM-UHFFFAOYSA-N 413.879 3.359 0 40 HGAB CSc1nnc(NC(=O)CCCN(c2cc(C)cc(C)c2)S(C)(=O)=O)s1 224866015 DVDVIKRHZISNMM-UHFFFAOYSA-N 414.578 3.062 0 40 HGAB O=S(=O)(c1ccc(Br)s1)N1CC[C@@H](c2ccc3c(c2)OCO3)C1 225678688 ODJFCAYCEQCGFX-LLVKDONJSA-N 416.318 3.418 0 40 HGAB CC[C@H](NC(=S)Nc1ccc(C(=O)N(C)C)cc1)c1ccc(S(C)(=O)=O)cc1 225725688 RLHUDWXXHDKCTF-SFHVURJKSA-N 419.572 3.230 0 40 HGAB CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=NN12 229614063 YWTQOLURXZNQEK-YRPNKDGESA-N 419.456 3.320 0 40 HGAB CC[C@H](NC(=O)[C@H](c1ccccc1)N(C)S(C)(=O)=O)c1ccc(OC)c(C)c1 260762404 IMEOOUFWRDMDJL-ICSRJNTNSA-N 404.532 3.204 0 40 HGAB Cc1ccc(S(=O)(=O)N2CC3(C2)OCC[C@@H]3CCOCc2csc(C)n2)cc1 306127417 FYHIBBWRHNQYSL-KRWDZBQOSA-N 422.572 3.146 0 40 HGAB COc1ncccc1CN1CCO[C@@H](c2nnn3cc(-c4ccccc4)ccc23)C1 306130311 JCBLXKKDGMLWFX-OAQYLSRUSA-N 401.470 3.373 0 40 HGAB Cc1ccc(C(=O)N2CC[C@@]3(C2)CN(C(C)C)S(=O)(=O)c2ccccc2O3)s1 306140498 UVCROSUMYBFWHW-HXUWFJFHSA-N 420.556 3.133 0 40 HGAB CC1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)NCc3cccnc3)c2)CC1 408700037 ADDUMEAHFHNACX-UHFFFAOYSA-N 407.923 3.086 0 40 HGAB NC(=O)Cn1cc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)c2ccccc21 409145274 PXRSRTYOWCQVHS-UNOMPAQXSA-N 405.479 3.406 0 40 HGAB Cc1cc(C)n([C@H](CNC(=O)C(=O)NCCC2=CCCCC2)c2cccs2)n1 575610059 JSIBJLKEWZQULQ-GOSISDBHSA-N 400.548 3.274 0 40 HGAB Cc1cnc(Nc2cc(C[C@H]3CCCN(C(=O)/C=C/c4cnc[nH]4)C3)ncn2)s1 585291537 RLQNGILOXZAQCT-MBVDDHJVSA-N 409.519 3.203 0 40 HGAB CC[C@H](C)[C@@H]1NC(=O)C2(CCCCOCCCNC1=O)CCN(CCC(C)C)CC2 643581696 RSRRXMMHPOWJLC-SFTDATJTSA-N 423.642 3.352 0 40 HGAB COc1ccccc1OCC(=O)N1CC[C@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@H]21 1889186352 FKQDCCAFTOUMAS-GOEBONIOSA-N 421.419 3.225 0 40 HGAB Cc1noc(C)c1S(=O)(=O)N1CCC(c2cccc(Nc3nccs3)n2)CC1 2037834782 NTKJPKGBTKAZGP-UHFFFAOYSA-N 419.532 3.455 0 40 HGAB O=C(c1ccc(Br)cc1)N1N=C(c2ccncc2)C[C@]1(O)C(F)(F)F 871849 JRKGGFFXRAFWCC-HNNXBMFYSA-N 414.181 3.345 0 40 HGAB CN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 980821 HYCDRHRNUHMPIN-UHFFFAOYSA-N 406.935 3.399 0 40 HGAB CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(NC(=O)c3ccccc3)C(=O)[C@@H]12 1064215 GLSORGRTUNRMGT-OLJONYEBSA-N 408.457 3.398 0 40 HGAB COC(=O)CSC(=O)Nc1ccc(Cn2cc(C(F)(F)F)ccc2=O)cc1 1400131 NWCBCRHXPMZSAE-UHFFFAOYSA-N 400.378 3.354 0 40 HGAB CCOc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NCC(=O)O)c2ccccc12 2255606 JANOETOEKOLHPW-ZHZULCJRSA-N 418.449 3.210 0 40 HGAB CCCNC(=O)c1c(N)n(-c2cc(OC)cc(OC)c2)c2nc3ccccc3nc12 2264999 PTHVISQSPZKEPV-UHFFFAOYSA-N 405.458 3.313 0 40 HGAB CC(=O)Oc1ccc2nc(-c3ccc(I)cc3)oc(=O)c2c1 2315893 SBRHSGQDTZSHQP-UHFFFAOYSA-N 407.163 3.385 0 40 HGAB COCCNC(=O)CCSc1nc(-c2ccc(OC)cc2)cc(C(F)(F)F)n1 2799508 CLUFZVFAYAUDFY-UHFFFAOYSA-N 415.437 3.416 0 40 HGAB NS(=O)(=O)c1ccc(NC(=O)CSc2nc(-c3ccc(F)cc3)cs2)cc1 3406244 YKSUERADJFFCFD-UHFFFAOYSA-N 423.516 3.327 0 40 HGAB CCCn1c(=O)n(C)c(=O)c2c(SCc3cccc(F)c3)nc(C3CC3)nc21 3459035 ZFQRGCKGXJVOJF-UHFFFAOYSA-N 400.479 3.209 0 40 HGAB CCN(CC)CCCn1c2c(c(SCC(=O)Nc3ccccc3)nc1=O)CCC2 4851842 DISCYMALTCSIDI-UHFFFAOYSA-N 414.575 3.195 0 40 HGAB CCN(CC)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)cc1 4896666 KLOHEOWRBWBKLE-MRXNPFEDSA-N 409.486 3.296 0 40 HGAB O=C(CSc1ccccn1)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl 5622229 PHZUWMSONKYTCH-UHFFFAOYSA-N 411.936 3.250 0 40 HGAB Cc1ccc(Cn2nnc3c(O)nc([C@@H]4CCCN(C(=O)CC(C)(C)C)C4)nc32)cc1 5738596 YBUDBJXARSMSDA-QGZVFWFLSA-N 422.533 3.426 0 40 HGAB CC(C)OC(=O)c1cccc(NC(=O)CSc2nnc(-c3ccco3)n2C)c1 6328064 SYTKUMWMPJVIOR-UHFFFAOYSA-N 400.460 3.371 0 40 HGAB COc1cc(Br)c(C[C@H](NC=O)c2ccc3c(c2)OCO3)cc1OC 6403429 BRVRJJFZDQRSGY-AWEZNQCLSA-N 408.248 3.225 0 40 HGAB Nc1nnc(Sc2nc(CN3CCCCC3)nc3sc4c(c23)CCCC4)[nH]1 6502942 BNANQCFWGXJCRK-UHFFFAOYSA-N 401.565 3.408 0 40 HGAB CCCCn1c(=O)[nH]c(=O)c2c1nc(COC(=O)c1cccc(Cl)c1)n2CCC 6508114 JDAHKVCLWJNASL-UHFFFAOYSA-N 418.881 3.107 0 40 HGAB CCOCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@H]1c1ccc(O)c(OC)c1 6744882 QQSMWIQGMMXXFK-JOCHJYFZSA-N 423.469 3.468 0 40 HGAB Cc1cc(Cl)c(C)c(S(=O)(=O)Nc2cccc(S(N)(=O)=O)c2)c1Cl 7053667 UQOMTDMUJJDDEO-UHFFFAOYSA-N 409.316 3.058 0 40 HGAB COc1ccc(N2C[C@@H](C(=O)O[C@@H](C)C(=O)c3ccc(C)cc3)CC2=O)c(OC)c1 7881542 IQBCIEUPPMDWIB-RDJZCZTQSA-N 411.454 3.180 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cc(C)ccc3C)C2)cc1 7910572 GIYYXBGEDVYKRL-KRWDZBQOSA-N 402.516 3.351 0 40 HGAB O=C(CNc1ccc(S(=O)(=O)N2CCCCCC2)cc1)N1CCc2ccccc21 7978418 XJDUDMUIWGXUES-UHFFFAOYSA-N 413.543 3.253 0 40 HGAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccc(C(N)=O)cc3)c2)cc1 8294876 FEIQKTADNSUIHP-UHFFFAOYSA-N 409.467 3.147 0 40 HGAB Cc1cc(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)Nc3cccc5ccccc35)[C@@H]4C2=O)no1 9303548 AXKDXJQYOWITQX-ZDXOVATRSA-N 401.422 3.061 0 40 HGAB COc1ccc2c(c1)[C@@H]1C[C@](C)(O2)N(C)C(=O)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 9407621 FYFHGMWBQDVCQU-QRFRQXIXSA-N 421.902 3.245 0 40 HGAB CCc1ccc(C(=O)[C@@H](C)OC(=O)CCNS(=O)(=O)c2ccc(Cl)cc2)cc1 9514657 LVZJIEGZYRDXKY-CQSZACIVSA-N 423.918 3.385 0 40 HGAB CCS(=O)(=O)c1ccc(-c2ccc(NC(=O)c3c(F)cccc3F)cc2)nn1 9787034 YOTBHHGNILHAJS-UHFFFAOYSA-N 403.410 3.468 0 40 HGAB Cc1noc(C)c1CC(=O)Nc1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1 10220039 JGXPVCNXCSHUQB-UHFFFAOYSA-N 405.520 3.426 0 40 HGAB Cc1cc(NC(=O)C2CC2)n(-c2nc(O)c3cnn(-c4cccc(Cl)c4)c3n2)n1 11695415 MXVIPRXNRZYEMH-UHFFFAOYSA-N 409.837 3.017 0 40 HGAB CCc1onc(C)c1C(=O)N1CCC[C@@H](c2nc3ccc(F)cc3cc2C(N)=O)C1 12256219 WOIWUFADMNLZTF-CYBMUJFWSA-N 410.449 3.351 0 40 HGAB COc1ccc2c(c1)[C@H](O)CC1(CCN(C[C@H](O)c3ccc(F)c(F)c3)CC1)O2 12329588 YGGHHNMUCCCVAX-UXHICEINSA-N 405.441 3.358 0 40 HGAB O=C(CCc1nc2ccccc2[nH]1)NCC(=O)Nc1ccccc1Br 12531909 JDASJZWYAOYNAF-UHFFFAOYSA-N 401.264 3.013 0 40 HGAB Cc1cc(Br)ccc1NC(=O)CNC(=O)c1cn2c(C)cccc2n1 12550199 ZJLUDPNKNUCAPV-UHFFFAOYSA-N 401.264 3.082 0 40 HGAB Cc1cccc(-n2c(SC[C@H]3COc4ccccc4O3)nnc2N2CCOCC2)c1 12554112 BAPQVDUFIZPXPC-GOSISDBHSA-N 424.526 3.344 0 40 HGAB CCOc1c(Cl)cc(C(=O)N(C)Cc2nc3ccccc3c(=O)[nH]2)cc1OC 12771661 DKIWWWJSCOZFGL-UHFFFAOYSA-N 401.850 3.256 0 40 HGAB Cc1ccc(C(=O)NCC(=O)N(C)CCOc2ccc(Br)cc2)cc1 12780667 PHQQEOHZGFTTEE-UHFFFAOYSA-N 405.292 3.025 0 40 HGAB C[C@H](C(=O)Nc1cc(F)ccc1F)N1CCC(C(=O)NCc2ccccc2)CC1 12806038 VHGXSZZSMKKHLC-OAHLLOKOSA-N 401.457 3.320 0 40 HGAB Cc1cccc(OCC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)c1 12806785 AGPGNHUUXSLPGB-UHFFFAOYSA-N 408.907 3.450 0 40 HGAB COc1cc(OC)c(NC(=O)CCN2C(=O)[C@H](C)Oc3ccccc32)cc1Cl 12913804 JJIFQEWEEIYRHO-LBPRGKRZSA-N 404.850 3.500 0 40 HGAB C[C@@H]1C[C@@H]1C(=O)NCC(=O)NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 12925805 FMTNVOTYOUHJHV-QRWLVFNGSA-N 406.461 3.067 0 40 HGAB Cc1ccc(F)c(NC(=O)C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)c1 12995620 AYJNOXROQQHDJU-UHFFFAOYSA-N 422.386 3.446 0 40 HGAB COc1cc(CC(=O)N2CC(=O)Nc3cc(C(F)(F)F)ccc32)cc(OC)c1OC 13003518 QPJOGCWPQOJOJY-UHFFFAOYSA-N 424.375 3.259 0 40 HGAB C[C@@H]1CCCCN1CC(=O)Nc1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1 13003910 TZPPPXQGIKYADJ-QGZVFWFLSA-N 407.580 3.453 0 40 HGAB C[C@H](NC(=O)CNC(=O)c1ccc(C(F)(F)F)cc1)c1ccc2c(c1)OCCO2 13016367 MNCBYMMZYIDRCX-LBPRGKRZSA-N 408.376 3.084 0 40 HGAB Cc1cccc(CCC(=O)N2CCC(c3nc(O)cc(-c4ccccn4)n3)CC2)n1 13227629 UIZUQBCOKMAVSE-UHFFFAOYSA-N 403.486 3.286 0 40 HGAB CC[C@@H](C(=O)N1CCc2ccccc2C1)N(c1cccc(Cl)c1)S(C)(=O)=O 13712112 HAEGMSCTLKDGHY-IBGZPJMESA-N 406.935 3.470 0 40 HGAB CC[C@@H](C(=O)NCCSC(C)(C)C)N(c1ccc(C)c(C)c1)S(C)(=O)=O 13716458 BWVKUUOTTYHUFE-KRWDZBQOSA-N 400.610 3.496 0 40 HGAB CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(Br)cc2F)C[C@H]1C(=O)O 14632524 YTUMWIOKROJEBS-JQWIXIFHSA-N 404.232 3.430 0 40 HGAB COc1ccc(NC(=O)[C@@H](CC(C)C)N2C(=O)[C@H]3CC=CC[C@H]3C2=O)c(OC)c1 15654782 REUGZLWCFKOKGM-SOLBZPMBSA-N 400.475 3.008 0 40 HGAB O=C(Cn1c(=O)cnc2ccccc21)NCCCCCc1nc(-c2cccs2)no1 16786693 ZKVLDSFGPGCETB-UHFFFAOYSA-N 423.498 3.037 0 40 HGAB Cc1nc(NC(=S)NC(=O)Cc2ccccc2)ccc1I 17088757 HKBFXUYLCUHPAP-UHFFFAOYSA-N 411.268 3.050 0 40 HGAB O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)NCc1ccc(Cl)cc1 17324165 SACKDZBZAWZTMZ-UHFFFAOYSA-N 406.935 3.374 0 40 HGAB COc1ccc(Cl)cc1C(=O)N1CCN(CC(=O)Nc2ccc(C)cc2)CC1 18132515 XNUYVHRCWAZJHZ-UHFFFAOYSA-N 401.894 3.054 0 40 HGAB Cc1ccc(-c2nnc(C3CCN(C(=O)c4cc(C(F)(F)F)n(C)n4)CC3)o2)cn1 19215235 UKQMTPOOILJGSH-UHFFFAOYSA-N 420.395 3.212 0 40 HGAB O=C(c1ccco1)N1CCN(C[C@H](O)Cn2c3ccccc3c3ccccc32)CC1 19287612 QZNOGWXLGHKSCQ-SFHVURJKSA-N 403.482 3.206 0 40 HGAB O=C(c1cc(C2CCN(Cc3ccnc4ccccc34)CC2)no1)N1CCC[C@H](O)C1 19376064 FXUKFYCALKXJAD-IBGZPJMESA-N 420.513 3.199 0 40 HGAB CC(C)c1cc(C(=O)N2CC[C@@](Cc3ccccc3-c3ccncc3)(C(N)=O)C2)[nH]n1 19451735 MAPZKUBPXFFQAU-DEOSSOPVSA-N 417.513 3.155 0 40 HGAB CCN1CCN(C(=O)c2cn(C)cn2)C[C@H](Cc2ccccc2-c2ccccc2)C1=O 19527655 LUUPMQNABSWABI-NRFANRHFSA-N 416.525 3.250 0 40 HGAB Cc1nn(C)cc1-c1csc(NC(=O)Cn2c(=O)oc3ccc(Cl)cc32)n1 19659851 ATWDUEKIJLXPAH-UHFFFAOYSA-N 403.851 3.052 0 40 HGAB CN(C)c1ncc(CN2CCO[C@@H](c3ccc(Cc4ccc(F)cc4)cn3)C2)cn1 19692349 GNJRMZSLUKKVQP-JOCHJYFZSA-N 407.493 3.241 0 40 HGAB COCCC(=O)N1CCC[C@H](c2ccc3c(NCc4cccc(C)n4)n[nH]c3n2)C1 19742760 SGUOEXSFHVZANG-INIZCTEOSA-N 408.506 3.016 0 40 HGAB Cc1cc(C)cc(N(CC(=O)Nc2cccc(Br)c2)S(C)(=O)=O)c1 19947205 CWOURERINGIAQP-UHFFFAOYSA-N 411.321 3.471 0 40 HGAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(F)c(F)c2)cc1Cl 20015313 HAKKNHMAVYCGEV-UHFFFAOYSA-N 418.849 3.276 0 40 HGAB COc1ccc(F)cc1S(=O)(=O)N1CCC(C(=O)Nc2cc(F)ccc2C)CC1 20017677 FPNBBPRGFBCOAJ-UHFFFAOYSA-N 424.469 3.321 0 40 HGAB CCS(=O)(=O)N(CC(=O)N[C@H](C)c1ccc(C)cc1C)c1ccc2c(c1)OCO2 20461385 NIHUJVWQXKHJNE-MRXNPFEDSA-N 418.515 3.066 0 40 HGAB COc1cc(OC)cc(-c2nn3c(COc4ccc5c(c4)OCO5)nnc3s2)c1 20718348 OZVWBEFIBAFPDQ-UHFFFAOYSA-N 412.427 3.178 0 40 HGAB CCN(c1cc(OC)c(OC)cc1C(=O)Nc1cc(C)ccc1C)S(C)(=O)=O 22251872 XBZLZIPNTDTAHI-UHFFFAOYSA-N 406.504 3.359 0 40 HGAB Cc1ccc2c(c1)[C@H](NC(=O)CN(c1ccccc1)S(C)(=O)=O)CC(C)(C)O2 22326631 OKTHTBKFQVBXGP-GOSISDBHSA-N 402.516 3.180 0 40 HGAB Cc1ccc(C)c(S(=O)(=O)N(CC(=O)NC2CC2)Cc2ccccc2Cl)c1 22349770 LFWUSVZTVCBKQZ-UHFFFAOYSA-N 406.935 3.426 0 40 HGAB COc1ccc(F)cc1CN1CCN(CC(=O)N[C@@H]2CCCc3ccccc32)CC1 22812843 SFTAVORNGRRKIY-JOCHJYFZSA-N 411.521 3.146 0 40 HGAB COc1ccc(Br)c(C(=O)NCC2(N3CCOCC3)CCCCC2)c1 23736200 JMEQVGXEGPDSRJ-UHFFFAOYSA-N 411.340 3.223 0 40 HGAB CCOC(=O)c1ccc(N2N=C(C)[C@]3(Cc4ccccc4N4CCOC[C@@H]43)C2=O)cc1 25184876 UNEZAJXSLXBYFR-QPPBQGQZSA-N 419.481 3.034 0 40 HGAB O=S(=O)(c1cccc(CN2CCC[C@@H]2c2ccc(F)cc2)c1)N1CCOCC1 25443946 UKOHCIZCERKSDB-OAQYLSRUSA-N 404.507 3.184 0 40 HGAB COc1ccc(C)cc1NC(=O)CNC(=O)c1ccc(OCc2ccncc2)cc1 29880711 JFGNKAKKZQAJHH-UHFFFAOYSA-N 405.454 3.346 0 40 HGAB C[C@]1(Cc2ccc3c(c2)OCO3)NC(=O)N(Cc2ccc(C(F)(F)F)cc2)C1=O 30511419 BQYOHUPJNWKYDN-LJQANCHMSA-N 406.360 3.487 0 40 HGAB C/C=C\C(/C=C\C)(C(=O)OCCN(C)C)C(/C=C\C)(/C=C\C)C(=O)OCCN(C)C 31628409 SJIGIIJSBLTQJU-NONDJZLBSA-N 420.594 3.473 0 40 HGAB COc1ccc(NC(=O)C[C@@H](C)NC[C@@H](c2cccs2)N2CCOCC2)cc1 32740374 LGGVVJFQBVNWIW-APWZRJJASA-N 403.548 3.137 0 40 HGAB C[C@@H]1CCc2nc(NC(=O)[C@@H]3CCCN3S(=O)(=O)c3ccccc3)sc2C1 32795867 DVUNFCAQMZRPBK-CJNGLKHVSA-N 405.545 3.060 0 40 HGAB COC(=O)[C@@H](c1ccccc1Cl)N1CCN(C(=O)/C=C/c2cccs2)CC1 36398582 RSDOMGDZSGBWGQ-CSHXORCISA-N 404.919 3.473 0 40 HGAB CSc1ccccc1NC(=O)CN(C)C(=O)C[C@@H](NC(C)=O)c1cccs1 40033455 CXPXXDGDWSVCQM-OAHLLOKOSA-N 405.545 3.134 0 40 HGAB CS(=O)(=O)Nc1ccc(-c2csc(NC(=O)c3ccc4c(c3)CCO4)n2)cc1 40069163 CJMRCJYJGYQCTC-UHFFFAOYSA-N 415.496 3.369 0 40 HGAB CCN1CCN(Cc2ccccc2CNC(=O)CSc2ccc(F)cc2)CC1 40089838 SWAAAFSPDDASHD-UHFFFAOYSA-N 401.551 3.372 0 40 HGAB C[C@@H]1Oc2ccccc2N(CC(=O)N(C)[C@H](c2ccccc2)c2ccccn2)C1=O 40134811 KWKMBBMOSIVAFB-GAJHUEQPSA-N 401.466 3.444 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)COC1CCCCC1 40140377 OYFKOADZDYMLCV-UHFFFAOYSA-N 410.536 3.158 0 40 HGAB C[C@H](NC(=O)C1CCN(Cc2ccccc2F)CC1)c1ccc(S(C)(=O)=O)cc1 44857137 SGPVUIMXCNGYDX-INIZCTEOSA-N 418.534 3.319 0 40 HGAB Cc1cccc(N2CCN(C(=O)c3cc(NS(C)(=O)=O)ccc3Cl)CC2)c1C 44883850 SKLLTRIWRQKXCM-UHFFFAOYSA-N 421.950 3.291 0 40 HGAB COC(=O)[C@@H](c1ccccc1Cl)N1CCN([C@H](C)c2nc(C3CC3)no2)CC1 48260910 PWLKKKMIEXCDJE-CXAGYDPISA-N 404.898 3.193 0 40 HGAB O=C1C[C@H](C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)CN1c1ccccc1F 48368022 YHHBBFNPXSLYED-FUHWJXTLSA-N 410.445 3.314 0 40 HGAB CSc1ncccc1C(=O)N1CCC(CNC(=O)c2c(C)nc3ccccn23)CC1 49523534 WDUQQDZXDTWRPW-UHFFFAOYSA-N 423.542 3.042 0 40 HGAB COc1cc(OC)cc(C(=O)N2CCC(C(=O)N(C3CC3)[C@H](C)C3CC3)CC2)c1 49675770 GRDWXALFCCNNNR-OAHLLOKOSA-N 400.519 3.346 0 40 HGAB CCCCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)OCCN2Cc2ccccc2)cc1 54672202 UXPFNCBVKQHRSD-NRFANRHFSA-N 424.497 3.400 0 40 HGAB CCOC(=O)c1cnn(-c2cccc(NC(=O)N3CCC[C@@H]3CCCO)c2)c1C 58231845 KFCNKSHCYFNVMD-QGZVFWFLSA-N 400.479 3.126 0 40 HGAB NC(=O)[C@@H]1CCCN(Cc2ccc(NC(=O)COc3ccccc3Cl)cc2)C1 58326805 HOKAXCTUVWSATM-MRXNPFEDSA-N 401.894 3.055 0 40 HGAB CCOC(=O)c1cnn(-c2cccc(NC(=O)N[C@H]3CCN4CCCC[C@H]34)c2)c1C 58344940 NGKRZSJVLWQIOY-VQTJNVASSA-N 411.506 3.106 0 40 HGAB COc1cccc(C(=O)Oc2ccc(N(C)C3=NS(=O)(=O)c4ccccc43)cc2)c1 59488054 UENPBFWVYVRZGW-UHFFFAOYSA-N 422.462 3.500 0 40 HGAB CCOc1ccc(NC(=O)c2nnn(CC(=O)Nc3c(C)cccc3C)c2C)cc1 67323599 NQEOYMRCCCTIRI-UHFFFAOYSA-N 407.474 3.493 0 40 HGAB Cc1ccc(OCCNS(=O)(=O)Cc2ccc(Br)cc2F)cc1 72232390 OJSQBIQMXXTRMC-UHFFFAOYSA-N 402.285 3.395 0 40 HGAB Cc1ccccc1-n1ncc2c1N(CC(=O)N(C(C)C)C(C)C)C(=O)N1CCCN=C21 72336727 XTZRTIUOZPYRMX-UHFFFAOYSA-N 422.533 3.218 0 40 HGAB COC(=O)c1nc(NC(=O)C[C@@H]2NC(=O)c3ccccc32)sc1-c1ccccc1 79474144 PZXZEDLVFCHJGK-HNNXBMFYSA-N 407.451 3.410 0 40 HGAB COC(=O)CCSc1ncccc1NS(=O)(=O)c1ccc(C)cc1Cl 96013532 SHJIWZGKWIWEIE-UHFFFAOYSA-N 400.909 3.499 0 40 HGAB COc1ccc(-c2cc(N3CCCN(C(=O)c4ccc5[nH]cnc5c4)CC3)[nH]n2)cc1 98211651 XUAHLRPWZOIXHW-UHFFFAOYSA-N 416.485 3.314 0 40 HGAB O=C(c1ccc(Br)o1)N1CCN(c2cc(-c3cccs3)n[nH]2)CC1 98211831 GTASQAAGJARNGR-UHFFFAOYSA-N 407.293 3.456 0 40 HGAB CC[C@H](C(=O)N[C@@H](C)COc1ccccc1C)N(c1cccc(C)c1)S(C)(=O)=O 220524590 FXGVWDIJVKKYFP-AZUAARDMSA-N 418.559 3.432 0 40 HGAB CNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN1C(=O)c2cccc3cccc1c23 222375833 KUYOJGFZTOKRGT-KRWDZBQOSA-N 415.493 3.272 0 40 HGAB Cc1ccc(OC[C@@H](C)NC(=O)c2cccc(N3CCCCS3(=O)=O)c2)cc1 222561693 PWCPAYABXROFAF-QGZVFWFLSA-N 402.516 3.122 0 40 HGAB CCN(CC)C(=O)CN(CCc1ccccc1)S(=O)(=O)c1cc(C)ccc1C 225941868 QEVMBXHDYYWFTA-UHFFFAOYSA-N 402.560 3.405 0 40 HGAB CCOC(=O)C1(c2ccc(NC(=O)c3ccc(NS(=O)(=O)CC)cc3)cc2)CC1 225964121 SVUFAGXKWKDZNY-UHFFFAOYSA-N 416.499 3.295 0 40 HGAB COC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@H]2[C@H]2c3ccccc3C=CN12 247809934 BXXHLOUIOGUWCB-MKXGPGLRSA-N 408.841 3.028 0 40 HGAB C[C@@]12C[C@H](c3ccccc3)N(S(=O)(=O)c3ccccc3F)[C@@H]1CCC[C@@H](O)[C@@H]2O 257262227 LKQXMCMCFQHKDK-FTSHXLFYSA-N 419.518 3.242 0 40 HGAB Cc1ccc(C(=O)N2Cc3cn(C(C)C)nc3C3(CCN(c4ncccn4)CC3)C2)o1 306124356 BNIRIDFUDYNOFD-UHFFFAOYSA-N 420.517 3.350 0 40 HGAB Cn1nc(-c2cccs2)cc1C(=O)N1CC[C@@H](c2cccs2)S(=O)(=O)CC1 390829748 GHONGZSYQMLURC-KRWDZBQOSA-N 421.569 3.212 0 40 HGAB CC(=O)Nc1ncc(S(=O)(=O)NCc2nc(C3CCCCC3)cs2)s1 390830662 MOGXMIRFTWMSIN-UHFFFAOYSA-N 400.551 3.084 0 40 HGAB C[C@H](CCc1ccccc1)NC(=O)COc1ccc(S(=O)(=O)NC(C)(C)C)cc1 408584504 QPGZPGGFGGDPPG-QGZVFWFLSA-N 418.559 3.280 0 40 HGAB COc1ccc(NC(=O)C2=C(C)N=C3N=CNN3[C@H]2c2ccc(C)s2)c(OC)c1 408628471 XXQZRIUYMPHGRC-SFHVURJKSA-N 411.487 3.246 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@H](C)c3ccccc3)C2)cc1C 409380714 BNHUNKMEJGSRTQ-MJGOQNOKSA-N 416.543 3.282 0 40 HGAB CCn1nc(C(=O)N2CCC(C)(c3ccc(Br)cc3)CC2)ccc1=O 685052637 IXUMGXSODCHDIG-UHFFFAOYSA-N 404.308 3.220 0 40 HGAB Cc1cc(S(=O)(=O)N2CC[C@H](Oc3ccncc3Br)C2)ccc1F 1775973951 UAXQNHWVAALADA-LBPRGKRZSA-N 415.284 3.134 0 40 HGAB Cc1cc(C)cc(OCC(=O)N2CCC(Cn3nc4c(cc3=O)CCCC4)CC2)c1 1775986092 UQQZAWCYIOFGOF-UHFFFAOYSA-N 409.530 3.057 0 40 HGAB O=C1N(C[C@H]2CCCOC2)c2ccccc2S(=O)(=O)N1Cc1ccc(F)cc1 1888929339 KMIPXWFQVZKEPF-MRXNPFEDSA-N 404.463 3.383 0 40 HGAB O=C(c1ccc2nccnc2c1)N1CCC(Oc2ncc(-c3ccncc3)cn2)CC1 1889263466 UIRZDCZNLWEKOV-UHFFFAOYSA-N 412.453 3.165 0 40 HGAB O=C(CS(=O)(=O)c1ccccc1)Nc1nc2ccc(Br)cc2s1 714297 YWERFUKPCDWGHK-UHFFFAOYSA-N 411.302 3.471 0 40 HGAB CCn1c(CSc2ncccn2)nnc1SCC(=O)N1[C@@H](C)CCC[C@H]1C 1325592 IASHMVADNSHRLX-OKILXGFUSA-N 406.581 3.262 0 40 HGAB CCOc1cc([C@@H]2c3c(oc4c(C)cc(C)cc4c3=O)C(=O)N2CCO)ccc1O 2241186 UAMPPSSVPVYMSY-LJQANCHMSA-N 409.438 3.052 0 40 HGAB CC(=O)Nc1ccc(NC(=O)[C@@H](C)OC(=O)/C=C/c2cnc3ccccc3n2)cc1 2617256 AXKBNMHFGIKHEQ-GCZGRYASSA-N 404.426 3.172 0 40 HGAB Cc1ccc(CNC(=O)CN2C(=O)N[C@@](C)(c3ccc(C(C)(C)C)cc3)C2=O)cc1 2629049 AEZSGXQJKZLWBG-DEOSSOPVSA-N 407.514 3.376 0 40 HGAB COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NCc3ccccc3)c2)cc1 2652661 VZRVDGFRLSKYDL-UHFFFAOYSA-N 410.495 3.450 0 40 HGAB O=C(CSc1nnc(Nc2ccccc2)s1)NCc1ccc2c(c1)OCO2 2657956 YVHMTLKUFWSVAT-UHFFFAOYSA-N 400.485 3.419 0 40 HGAB Cc1c([C@H](C)NC(=O)[C@H](C)n2nc(C(F)F)c(Br)c2C)cnn1C 2780962 BKSODUBTGIJKBH-XVKPBYJWSA-N 404.259 3.372 0 40 HGAB C[C@H](C(=O)OCC(=O)Nc1cc(Cl)cc(Cl)c1)N1C(=O)c2ccccc2C1=O 3480097 AETBNOSNUSMACN-SNVBAGLBSA-N 421.236 3.160 0 40 HGAB C[C@H](OC(=O)c1ccccc1I)C(=O)N1CCc2ccccc21 3544592 QOKVCWFXVJZQMV-LBPRGKRZSA-N 421.234 3.426 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NCc2ccccc2OC)c1 3614950 KSVHLVBTFXSYMG-UHFFFAOYSA-N 410.923 3.309 0 40 HGAB CC[C@@H](C)N(C(=O)CSc1nc2ccc(Cl)cc2[nH]1)[C@H]1CCS(=O)(=O)C1 4484992 ODKAQTBFUPEBJJ-YPMHNXCESA-N 415.968 3.123 0 40 HGAB CC1=C(C(=O)Nc2ccc(Br)cc2)[C@@H](c2ccc(O)cc2)NC(=O)N1 5232015 PWQZALPCLMKMLH-MRXNPFEDSA-N 402.248 3.421 0 40 HGAB COc1ccc(NC(=O)CSc2nnc(-c3cc(OC)cc(OC)c3)o2)cc1 5435516 ZHRUIEWBLDNFFR-UHFFFAOYSA-N 401.444 3.493 0 40 HGAB COC(=O)c1ccc(CSc2ccc(S(=O)(=O)N3CCCCC3)cn2)cc1 5634316 DEBQEYRTSCUNFY-UHFFFAOYSA-N 406.529 3.335 0 40 HGAB Cc1cc(O[C@H](C)C(=O)NCCCn2ccnc2)c2c3c(c(=O)oc2c1)CCCC3 6659666 SVQWOTNNPUMBML-MRXNPFEDSA-N 409.486 3.151 0 40 HGAB C[C@@H](OC(=O)c1c2c(nc3ccccc13)CC[C@@H](C(C)(C)C)C2)C(=O)N1CCNC1=O 7119928 YBGUEHJAZZOICV-HUUCEWRRSA-N 423.513 3.483 0 40 HGAB C[C@@H](NC(=O)CN1C(=O)N[C@](Cc2ccccc2)(c2ccccc2)C1=O)c1ccco1 7329355 ZITKQZCJBAEOCY-MZNJEOGPSA-N 417.465 3.147 0 40 HGAB COc1ccc(-c2cc3c(=O)n(CC(=O)Nc4cc(C)ccc4OC)ccn3n2)cc1 7616012 LWQPQFNJNODUIE-UHFFFAOYSA-N 418.453 3.127 0 40 HGAB COc1ccc(C(=O)COC(=O)c2ccccc2SCC(=O)N(C)C)cc1F 7699116 CMLKBKAZIIWFHO-UHFFFAOYSA-N 405.447 3.054 0 40 HGAB COc1ccccc1[C@H](CNC(=O)c1ccc(N2CCCC2=O)cc1)N1CCCC1 8134025 BTCMKZGIULGOEG-NRFANRHFSA-N 407.514 3.389 0 40 HGAB O=C(C[C@H]1C=CCC1)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 8245988 NBGMOBUOINHZEK-ZDUSSCGKSA-N 403.331 3.183 0 40 HGAB Cc1ccc(NC(=O)CSCC(=O)N(C)[C@H](C)c2ccc(-n3cncn3)cc2)cc1 8349694 UMWMTUUICIBQMY-QGZVFWFLSA-N 423.542 3.467 0 40 HGAB CCCCOC(=O)c1ccc(NC(=O)C[C@H]2OCCN(Cc3ccccc3)C2=O)cc1 8570019 SERSOZRXJVRXQH-OAQYLSRUSA-N 424.497 3.400 0 40 HGAB O=C(Cn1c(=O)n(Cc2ccccn2)c(=O)c2ncccc21)c1ccc2ccccc2c1 9000930 SGOPHRUKEYLZHF-UHFFFAOYSA-N 422.444 3.038 0 40 HGAB COC(=O)[C@](NC(=O)c1ccc(Cl)cc1)(Nc1nc(C)cs1)C(F)(F)F 9348495 LUJFWTUTMYVNJS-AWEZNQCLSA-N 407.801 3.378 0 40 HGAB COc1c(F)c(F)cc2c(=O)c(C(=O)N=c3[nH]c4ccccc4[nH]3)cn(C3CC3)c12 9421208 TXGGGFCUWBKOCZ-UHFFFAOYSA-N 410.380 3.174 0 40 HGAB NC(=O)c1nc(-c2ccc(Cl)c(Cl)c2)nc2c1[nH]c(=O)n2-c1ccccc1F 9738877 IOXFGJZEZBMGNS-UHFFFAOYSA-N 418.215 3.321 0 40 HGAB Cc1cccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccccc3)c(=O)n2C)c1C 10104900 ATBPJEDDUZQTOW-UHFFFAOYSA-N 415.497 3.104 0 40 HGAB COc1ccc(CNC(=O)[C@H](C)OC(=O)c2cc(C)nc3c2cnn3C(C)C)cc1 10206589 OZIDKBSJTARNAX-HNNXBMFYSA-N 410.474 3.191 0 40 HGAB Nc1nc(COC(=O)[C@@H]2COc3ccccc3O2)nc2sc3c(c12)CCCCC3 10395783 HLBOLABYEDAOLK-HNNXBMFYSA-N 411.483 3.426 0 40 HGAB Cc1cc2c(o1)c1cnn(CC(=O)N(Cc3cccnc3)C3CC3)c(=O)c1n2C(C)C 12117746 IEBLUJBWLMWLFG-UHFFFAOYSA-N 419.485 3.420 0 40 HGAB O=c1ccc(-c2cccs2)nn1CC1(O)CCN(Cc2cc(F)ccc2F)CC1 12186612 ZYRWEXKNDAEAON-UHFFFAOYSA-N 417.481 3.277 0 40 HGAB COc1nc(C)c(CC(=O)N[C@@H](Cc2ccsc2)c2nc(C)cs2)c(OC)n1 12227572 QSLCMNPAFBFRTC-HNNXBMFYSA-N 418.544 3.271 0 40 HGAB COc1ccccc1OC[C@@H](O)CNc1c(C)c(C)nc2cc(-c3ccco3)nn12 12251557 QYMQZCRZUHPBNN-INIZCTEOSA-N 408.458 3.467 0 40 HGAB COc1cc(C(=O)N(C)Cc2nc3ccsc3c(=O)[nH]2)ccc1OCC(C)C 12746269 VDCXWBYDRHEKBQ-UHFFFAOYSA-N 401.488 3.300 0 40 HGAB C[C@@H]1CCC[C@H](NC2=NN=C(c3ccc(N(C)S(C)(=O)=O)cc3)CS2)[C@@H]1C 12807104 DBABIXUQUCKBPO-CPUCHLNUSA-N 408.593 3.304 0 40 HGAB O=C1CCOc2ccccc2N1CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 12815003 ZKTRKRVCNVLUNN-SFHVURJKSA-N 422.481 3.327 0 40 HGAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc(NC(=O)c2ccco2)s1 12938142 BSWFVSWNGPLUGX-UHFFFAOYSA-N 408.439 3.102 0 40 HGAB C[C@H](NC(=O)CCn1c(=O)[nH]c(=O)c2ccccc21)c1ccc(Cl)cc1Cl 13000948 OWBVDQVPSMUEBI-NSHDSACASA-N 406.269 3.264 0 40 HGAB COc1ccccc1N(CC(=O)N1CCC[C@H](C)C1)S(=O)(=O)c1ccccc1 13669184 JKBAPMHVVIPNDI-KRWDZBQOSA-N 402.516 3.149 0 40 HGAB O=C(NCc1ccc2c(c1)OCO2)[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 13999429 ZRRNIWLBLVJNCM-CYBMUJFWSA-N 406.360 3.103 0 40 HGAB COc1ccc(Cl)cc1NS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CCCO2)c1 15933634 CEXBJCNSMRGXMZ-HNNXBMFYSA-N 424.906 3.058 0 40 HGAB CC(=O)N[C@H](CC(=O)NCc1ccc(N2CCCC2=O)cc1)c1ccc(Cl)cc1 16515689 IFYIBPWJSLVCKF-HXUWFJFHSA-N 413.905 3.351 0 40 HGAB O=C(OCC(=O)N1CCN(c2ccccc2F)CC1)c1ccc(C(F)(F)F)cc1 18187109 WUAPHBFRJKXJDB-UHFFFAOYSA-N 410.367 3.350 0 40 HGAB O=C(N[C@@H](Cc1ccccc1)c1ccc2c(c1)OCCO2)c1cc2c([nH]c1=O)CCC2 19370514 UZYBFIYLDAGQMI-NRFANRHFSA-N 416.477 3.349 0 40 HGAB CC[C@H](CN1CCN(C)CC1)NC(=O)Cc1sc(C)nc1-c1ccc(Cl)cc1 19500311 OKUPMROKRLFUII-GOSISDBHSA-N 421.010 3.457 0 40 HGAB CCNC(=O)[C@]1(Cc2ccc(-c3ccccc3F)cc2)CCCN(C(=O)COC)C1 19528523 RLSQUQVWNUIBDZ-DEOSSOPVSA-N 412.505 3.427 0 40 HGAB CC(=O)NCc1ccc(-c2ccc(C(=O)NC[C@H]3Cc4ccccc4O3)c(C)n2)cc1 19700534 PKETXCQQIWWALR-OAQYLSRUSA-N 415.493 3.427 0 40 HGAB CC(=O)Nc1ccc(OC[C@@H](O)CN2CCN(c3cc(Cl)ccc3C)CC2)cc1 20029121 CQJWMVQUXRHEJA-FQEVSTJZSA-N 417.937 3.169 0 40 HGAB CC[C@H](Oc1cc(Cl)ccc1Cl)C(=O)NN1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@@H]2C1=O 20572968 GXXDUYNDEJDOHA-NHVNAMOBSA-N 411.285 3.213 0 40 HGAB COc1ccc(Br)cc1S(=O)(=O)N(C)Cc1ccc2c(c1)OCO2 22279149 YJLHKLDJLQDBLK-UHFFFAOYSA-N 414.277 3.007 0 40 HGAB Oc1c([C@@H](c2ccccc2F)N2CCOCC2)sc2nc(-c3ccco3)nn12 22852133 YBYGPASPHIUAMG-OAHLLOKOSA-N 400.435 3.317 0 40 HGAB O=C(Nc1ccc(CN2C(=O)CCC2=O)cc1)c1ccc(F)cc1Br 23054644 HPRYWRSBJZERDV-UHFFFAOYSA-N 405.223 3.490 0 40 HGAB COc1ccc(-c2csc(NC(=O)[C@@H]3CS[C@]4(C)CCC(=O)N34)n2)cc1OC 23079065 CKWBXOPSALPQDJ-ORAYPTAESA-N 419.528 3.220 0 40 HGAB COc1cccc([C@@H](CNC(=O)COc2ccc3ccccc3c2)N2CCOCC2)c1 23105942 BRXHRWXBKRDLDF-XMMPIXPASA-N 420.509 3.417 0 40 HGAB O=C(NC[C@H](c1cccs1)N1CCOCC1)C1=Cc2cc(Cl)ccc2OC1 23199855 HSQZZXQEGPJHIW-QGZVFWFLSA-N 404.919 3.367 0 40 HGAB O=C(c1ccccc1)N1CCN(C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 23409496 ODISWDNDLIEURG-QGZVFWFLSA-N 409.313 3.191 0 40 HGAB O=C(c1cc(-c2cccnc2)nc2ccccc12)N1CCN(C[C@@H]2CCCO2)CC1 23882799 ZQYRMILZAOFMPU-IBGZPJMESA-N 402.498 3.234 0 40 HGAB O=C(N[C@@H]1CCCC[C@H]1N1C(=O)CSC1=O)c1cc(=O)c2cc(Cl)ccc2o1 28284140 JGTMYBZPWUTASX-CHWSQXEVSA-N 420.874 3.183 0 40 HGAB CCOC(=O)c1ccc(NC(=O)c2nn(C)c3c2Cc2cc(OC)c(OC)cc2-3)cc1 32124288 SQPODPCPFPTZRS-UHFFFAOYSA-N 421.453 3.438 0 40 HGAB biogenic O=C(CCc1nc2ccccc2oc1=O)OCc1cc(Cl)c2c(c1)OCCO2 32722485 JTTGTYVCPMAKSE-UHFFFAOYSA-N 401.802 3.289 0 40 HGAB COc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)O[C@@H]2C[C@H](C)OC2=O)cc1 32736676 MSFOSTWYTYVNKI-MGPUTAFESA-N 406.438 3.468 0 40 HGAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1cn2c3c(cccc3c1=O)C[C@@H]2C 33089136 TYMJSXQOYHRXMQ-LBPRGKRZSA-N 422.437 3.175 0 40 HGAB O=C(O)c1ccc(CN2CCC[C@H]2c2nc(-c3ccc(-n4ccnc4)nc3)no2)cc1 35425726 PXIQUTUBRLJQNS-SFHVURJKSA-N 416.441 3.353 0 40 HGAB biogenic,in-vitro COC(=O)c1ccc(NC(=O)c2ccc(Cn3cnc4ccccc4c3=O)o2)cc1 36360895 AZGMBJMCRYUXRQ-UHFFFAOYSA-N 403.394 3.077 0 40 HGAB Cc1ccc(-n2nc(C)c(CC(=O)N3CCN(c4ncccn4)CC3)c2C)cc1Cl 40128636 UCGIKDZQEONCSV-UHFFFAOYSA-N 424.936 3.132 0 40 HGAB CCCS(=O)(=O)N1CCC[C@H](C(=O)NC(c2ccccc2)c2ccccc2)C1 40128695 NUCOYXDAYKRIMI-FQEVSTJZSA-N 400.544 3.344 0 40 HGAB O=C(NCc1ccnc(OCC(F)(F)F)c1)[C@@H]1CCCN1C(=O)C1CCCCC1 48221599 UWRPCVBRXGWTNX-INIZCTEOSA-N 413.440 3.210 0 40 HGAB O=C(CCc1ccccc1)NC1CCN(Cc2csc(-c3ncccn3)n2)CC1 48277873 RIVOJLWFAYKIHE-UHFFFAOYSA-N 407.543 3.314 0 40 HGAB Cc1cc(OCC(=O)Nc2ccc(F)cc2)nc(N2CCN(c3ccccc3)CC2)n1 48985728 BDWFWCJZFJLKMU-UHFFFAOYSA-N 421.476 3.268 0 40 HGAB COc1cccc(N(Cc2ccc(F)cc2)S(=O)(=O)c2ccc3nncn3c2)c1 49408286 DAUSYPQOQBWDGZ-UHFFFAOYSA-N 412.446 3.273 0 40 HGAB CCOC(=O)CCc1c(C)c2ccc3c(c2oc1=O)CN(Cc1ccncc1)CO3 57140432 VZQXCWQOJFAGRX-UHFFFAOYSA-N 408.454 3.344 0 40 HGAB Cc1sc2ncn(CCC(=O)N3C[C@H](C)O[C@H](c4ccccc4)C3)c(=O)c2c1C 58429054 ATNOICPPEDLUII-KSSFIOAISA-N 411.527 3.454 0 40 HGAB COc1ccc(CNC(=O)c2cnc3scc(-c4cccc(OC)c4)n3c2=O)cc1 64787911 BXEOJKUCOUCTEP-UHFFFAOYSA-N 421.478 3.370 0 40 HGAB COc1cc(NC(=O)c2sccc2NC(=O)c2cnccn2)cc(OC)c1OC 67335948 NRIQAVKWHOYGRU-UHFFFAOYSA-N 414.443 3.069 0 40 HGAB CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@]1(CO2)NC(=O)c2cc(Cl)ccc2N1 72325645 GHDPLXZHWAUQHH-FQEVSTJZSA-N 407.898 3.382 0 40 HGAB Cc1nc2cc(C3CCOCC3)nn2c(NC[C@H](O)COCc2ccccc2)c1C 72337428 DIAAKOIBIPESBU-FQEVSTJZSA-N 410.518 3.230 0 40 HGAB COc1ccc(C(=O)N2CCC[C@H](c3ccc(C(=O)N4CCCCC4)cn3)C2)cn1 72374386 AKQACZRDMVAFPV-IBGZPJMESA-N 408.502 3.131 0 40 HGAB COc1cc(-c2c3c(O)nn(C(C)C)c3nc3[nH]c(=O)n(C)c23)ccc1OC(F)F 79485738 QOOAMRZFVHCLKX-UHFFFAOYSA-N 419.388 3.175 0 40 HGAB O=C([C@@H](c1ccccc1)N1CCN(Cc2ccc(Cl)s2)CC1)N1CCOCC1 84519427 LHNWALIJCXBDDU-HXUWFJFHSA-N 419.978 3.119 0 40 HGAB COc1ccc([C@H](O)[C@@H](C)NC(=O)[C@@H](C)Oc2ccccc2Br)cc1 89598516 RLRZGINTRINDLV-SNUQEOBHSA-N 408.292 3.463 0 40 HGAB COC(=O)C[C@@H](c1cc(OC)c(OC)c(OC)c1)c1c(O)ccc2nsnc12 96232273 GDYTULVGTOQWJV-NSHDSACASA-N 404.444 3.118 0 40 HGAB O=C(N[C@@H]1C[C@@H]2CC[C@@H]1C2)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1 113948832 MBHKQEIKCNJZJO-SZVBFZGTSA-N 410.967 3.187 0 40 HGAB Cc1ccc(OC[C@H](C)NC(=O)[C@H](C)N(c2cccc(C)c2)S(C)(=O)=O)cc1 220149678 FPJSADZAFIQSDB-ROUUACIJSA-N 404.532 3.042 0 40 HGAB CC[C@H](C(=O)NCCOc1ccc(C)cc1)N(c1cccc(C)c1)S(C)(=O)=O 220516829 LPXQQSXCBBVMFI-HXUWFJFHSA-N 404.532 3.043 0 40 HGAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N(C)c3ccccc3)C2)cc1C 222590962 RCCOCFIIAGWBJG-GOSISDBHSA-N 416.543 3.457 0 40 HGAB CC(C)c1ccccc1OCCNC(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O 223756420 NUWHRCQOSGYJIC-UHFFFAOYSA-N 424.950 3.425 0 40 HGAB COc1ccc(Cl)cc1NC(=O)[C@H](C)Oc1ccc(N(C)S(C)(=O)=O)cc1 223756512 ILLWMBKEHZPVPY-LBPRGKRZSA-N 412.895 3.150 0 40 HGAB COc1ccc(-c2nnsc2C(=O)OCCNc2cc(C)nc(SC)n2)cc1 223839620 CQRXZMVDCIQBQM-UHFFFAOYSA-N 417.516 3.303 0 40 HGAB CC[C@@H](C(=O)N[C@@H](C)c1ccccc1OC)N(c1cccc(OC)c1)S(C)(=O)=O 223846776 CJUJGRFOZNMFJN-KXBFYZLASA-N 420.531 3.126 0 40 HGAB Cc1ccc(N([C@@H](C)C(=O)NCCOc2cccc(C)c2C)S(C)(=O)=O)cc1C 223919781 ZRDAUBMLPRAPMU-IBGZPJMESA-N 418.559 3.270 0 40 HGAB COc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(Cl)c(Cl)c2)cc1OC 224813123 VEZOLSIPYBLWDH-UHFFFAOYSA-N 420.270 3.291 0 40 HGAB CCc1ccc(OCC(=O)NC[C@@H]2COc3ccccc3O2)c(Br)c1 225260271 HABPWWJOLHFWMG-CQSZACIVSA-N 406.276 3.347 0 40 HGAB CC(C)Oc1ccc(CNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 225567974 HGQZZWWJBWKQRT-UHFFFAOYSA-N 402.516 3.188 0 40 HGAB Cc1cccc(N([C@@H](C)C(=O)Nc2nnc(SC(C)C)s2)S(C)(=O)=O)c1 225575367 RFDMWRLRIGARIX-LBPRGKRZSA-N 414.578 3.140 0 40 HGAB CC(C)C(=O)Nc1nnc(S(=O)(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)s1 225747997 VJVHCJYKXGTJAW-LBPRGKRZSA-N 410.565 3.470 0 40 HGAB CS(=O)(=O)N[C@@H](CC(=O)Nc1cccc(Br)c1)c1ccc(F)cc1 225945852 RQVYYVLYPCQGHE-HNNXBMFYSA-N 415.284 3.207 0 40 HGAB O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@@H]34)[C@H]2C(=O)N1CN(C(=O)C(F)(F)F)c1cccc(Cl)c1 226400878 PKABERWKDXAODB-FWXGHANASA-N 424.806 3.246 0 40 HGAB O=C1N[C@]2(C[C@H]3CC[C@H]2C[C@@H]3C(=O)N2CC[C@H](O)[C@@H]3CCCC[C@H]32)Oc2ccccc21 247955830 NIBVGAOOZUMJJX-XLCAILMKSA-N 424.541 3.093 0 40 HGAB CNC(=O)[C@@]1(c2ccccn2)CCCN(C(=O)C2(c3ccc(F)cc3)CCCC2)C1 257305241 SPAYBQSRUGZTLP-DEOSSOPVSA-N 409.505 3.339 0 40 HGAB Cc1cc(C)nc(O[C@H]2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)C2)n1 390826952 CZYUMMWMKKVYLU-ZDUSSCGKSA-N 402.303 3.242 0 40 HGAB CCC[C@H](C)NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(OC)c(C)c1 408549985 AGUYRBTURLDCBN-SFHVURJKSA-N 418.559 3.499 0 40 HGAB COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)C(=O)NCCC1=CCCCC1 408604299 HZLPEFBURUUZAW-ZDUSSCGKSA-N 400.928 3.022 0 40 HGAB COc1ccc(OC2CCN(c3nc(N)c4cc(OC)c(OC)cc4n3)CC2)cc1 517654265 LKWQUGGOUAARID-UHFFFAOYSA-N 410.474 3.286 0 40 HGAB O=C(C[C@H](c1ccc(Cl)cc1)n1cccc1)Nc1ccc2[nH]c(=O)c(=O)[nH]c2c1 524733927 FIFROAKNDVNGOA-GOSISDBHSA-N 408.845 3.290 0 40 HGAB COc1cc(CCC(=O)N2CCc3[nH]nc(-c4ccccc4OC)c3CC2)ccn1 585110433 UWDJFYWJXSJUMJ-UHFFFAOYSA-N 406.486 3.049 0 40 HGAB O=C(CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]12)Nc1ccc2nc[nH]c2c1 604419714 SXJXZBAQXZCEMH-QFIPXVFZSA-N 423.432 3.316 0 40 HGAB O=C(COc1ccccc1)N1CCC[C@]2(CC1)CN(c1ccc(F)cc1)C(=O)CO2 618016821 JMRWMGLSBQGDQF-QHCPKHFHSA-N 412.461 3.019 0 40 HGAB O=C([C@@H]1COc2ccccc2C1)N1CCC(COc2cc3c(nn2)CCCC3)CC1 1775967841 DAIIDBPSXSDVTR-FQEVSTJZSA-N 407.514 3.224 0 40 HGAB O=S(=O)(c1ccc(Br)s1)N1[C@H]2CC[C@H]1CC(n1cccn1)C2 1888866546 IYQXFTMRLKOHKQ-QWRGUYRKSA-N 402.339 3.264 0 40 HGAB O=S(=O)(c1cccc(Cl)c1)N1CCC[C@@](O)(COc2ccc(F)cc2)CC1 2037912620 QPDPLDJAXZGBQW-IBGZPJMESA-N 413.898 3.464 0 40 HGAB COc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)C)N3CCC(C)CC3)cc2c1 782624 ROTRNZATVRRSLT-LJQANCHMSA-N 410.522 3.100 0 40 HGAB COc1cc(OC)cc([C@@H]2NC(=S)NC(C)=C2C(=O)OCCc2ccccc2)c1 850245 IUFDOGSLASAXIF-FQEVSTJZSA-N 412.511 3.283 0 40 HGAB COc1cc(C(=O)NCC(=O)OCc2ccc(C(C)(C)C)cc2)cc(OC)c1OC 1973208 OHTFPZLYZIPTGX-UHFFFAOYSA-N 415.486 3.483 0 40 HGAB COCCCn1c(N)c(C(=O)NCc2ccc(C)cc2)c2nc3ccccc3nc21 2254283 MSZCJBKOWQNVSN-UHFFFAOYSA-N 403.486 3.442 0 40 HGAB COc1ccc(CCN(C)C(=S)NC(=O)[C@@]2(C)CC2(Cl)Cl)cc1OC 3257363 SSWHWQDEIRQPNW-MRXNPFEDSA-N 405.347 3.163 0 40 HGAB CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)c2cc(C)n(C[C@H]3CCCO3)c2C)C1=O 3453961 AGEXLUAZHVHRBN-NTKDMRAZSA-N 423.513 3.324 0 40 HGAB COc1ccc([C@H]2N(c3ccc(Cl)cc3)N=C(C(C)=O)N(C)N2C(C)=O)cc1 3672731 ULDWTJZDCNMQOG-FQEVSTJZSA-N 400.866 3.465 0 40 HGAB CCOc1ccc(NC(=O)CCCc2nnc3n(C)c(=O)c4sccc4n23)cc1 4315755 RPWBCOSXJSEPBN-UHFFFAOYSA-N 411.487 3.003 0 40 HGAB COc1ccc(C(=O)Nc2ccc3c(c2)nc(CCNC(=O)c2ccco2)n3C)cc1 4383978 BQUMDNQYFAEZOW-UHFFFAOYSA-N 418.453 3.400 0 40 HGAB CC(=O)N1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc4c(c3)OCCO4)=NN12 4980226 TWOYWWMDCXHEEI-FQEVSTJZSA-N 419.481 3.340 0 40 HGAB O=C(CCCCCN1C(=O)[C@@H]2Cc3ccccc3CN2C1=O)NCCc1ccccc1 5428755 GWNTZOUBEVIYQA-QFIPXVFZSA-N 419.525 3.295 0 40 HGAB COc1ccc(C)cc1-n1nnnc1SCc1nc2cc(Cl)ccc2c(=O)[nH]1 6536374 DRAKPUPPVCBMJD-UHFFFAOYSA-N 414.878 3.162 0 40 HGAB Cc1cc(C(=O)CN2C(=O)N[C@@H](CCc3ccccc3)C2=O)c(C)n1CC(F)(F)F 6650506 FMUMFTDIZYRTRH-KRWDZBQOSA-N 421.419 3.403 0 40 HGAB CN(C[C@@H]1COc2ccccc2O1)C(=O)CCC(=O)c1ccc2c(c1)OCCCO2 6880057 UXIPIWGNURISIY-QGZVFWFLSA-N 411.454 3.109 0 40 HGAB COc1ccc(C(=O)Nc2nc(-c3nnn(-c4ccc(F)cc4)c3C)ns2)cc1 6914584 QALZAGJVEJLTET-UHFFFAOYSA-N 410.434 3.494 0 40 HGAB CCOC(=O)c1c(NC(=O)COc2ccc(F)cc2Cl)sc(C(N)=O)c1C 7063670 KHKCPVFNNMJUKI-UHFFFAOYSA-N 414.842 3.142 0 40 HGAB CCn1c(SCC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)nc2ccccc21 7738265 OSGADKAISZVNJF-UHFFFAOYSA-N 412.471 3.268 0 40 HGAB CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)CN2CCCCCC2)c1 7782000 OWLQTJSNOUDIDG-UHFFFAOYSA-N 401.532 3.326 0 40 HGAB CCN(CC(=O)NCc1ccccc1OC)CC(=O)Nc1ccccc1C(F)(F)F 7907654 IQFFUFRZKMGOCF-UHFFFAOYSA-N 423.435 3.291 0 40 HGAB COc1ccc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(Cl)cc2)cc1Cl 8224143 TZCGLLAFVRKHGX-SNVBAGLBSA-N 403.287 3.308 0 40 HGAB O=C(Nc1nc2ccccc2[nH]1)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1 8343823 BMRKZXDOUYJSED-UHFFFAOYSA-N 402.451 3.129 0 40 HGAB Cc1nc2ccccc2n1CCNC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1 8425131 CLOBYOMUXYZZLN-VAWYXSNFSA-N 416.525 3.413 0 40 HGAB COc1ccccc1NC(=O)Cn1nc(-c2ccccc2)c2sc(C)nc2c1=O 8954991 GBKUFHJIZGATSB-UHFFFAOYSA-N 406.467 3.476 0 40 HGAB Cc1ccc(NC(=O)COc2ccc(S(=O)(=O)N3CCCC3)cc2Cl)cc1 9225941 RRBGGVRVKKLLMF-UHFFFAOYSA-N 408.907 3.450 0 40 HGAB O=C(NCc1ccc(C(=O)N2CCCCC2)cc1)c1cnn(Cc2ccccc2)c1 9581593 MSEPDXVVPMVSCO-UHFFFAOYSA-N 402.498 3.488 0 40 HGAB Cc1cc(C)cc(NC(=O)CSc2nc3ncccc3c(=O)n2C[C@H]2CCCO2)c1 9830443 BKIUKHPJJIQDQP-QGZVFWFLSA-N 424.526 3.318 0 40 HGAB COc1cc(CNC(=O)c2nc(C)n(-c3ccc(F)cc3)n2)ccc1OC(F)F 10441997 HPNMHRMDKOSBPD-UHFFFAOYSA-N 406.364 3.255 0 40 HGAB Cc1ccc(OCc2nnc(SCC(=O)Nc3ccc(CC(=O)O)cc3)o2)cc1 10475584 UQCOFFQKVSAJMI-UHFFFAOYSA-N 413.455 3.315 0 40 HGAB COc1ccc(N(CC(F)(F)F)C(=O)CSc2nnnn2C2CCCC2)cc1 11621967 FAFXOUUDLDRFAN-UHFFFAOYSA-N 415.441 3.484 0 40 HGAB COc1ccc(-c2cc3nc([C@@H](C)NC(=O)Cc4ccccc4F)nn3cn2)cc1 12085087 SDNVYEBNGFQBJE-CQSZACIVSA-N 405.433 3.359 0 40 HGAB CC(C)NC(=O)[C@@H](C)Sc1nnc(CN2CCCCC2)n1Cc1ccccc1 12136112 ZGOKGYGBDLIECQ-QGZVFWFLSA-N 401.580 3.318 0 40 HGAB O=C(Cn1cnc2c(cnn2-c2cccc(Cl)c2)c1=O)Nc1ccc(F)cc1F 12237676 SSDMFUIVOLITDY-UHFFFAOYSA-N 415.787 3.153 0 40 HGAB O=C(O)c1cccc(S(=O)(=O)Nc2ccc3nc(N4CCCC4)sc3c2)c1 12507961 IJKGRTCZQHTZBI-UHFFFAOYSA-N 403.485 3.396 0 40 HGAB CCCN(Cn1nc(-c2ccc(Cl)cc2)n(C)c1=S)[C@@H]1CCS(=O)(=O)C1 12924371 JDAYWLPLHJKCHF-OAHLLOKOSA-N 414.984 3.128 0 40 HGAB CN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 12975079 UKUGNPCUJXECCY-UHFFFAOYSA-N 412.433 3.418 0 40 HGAB CNS(=O)(=O)Cc1ccccc1CNC(=O)/C=C/c1cc(Cl)ccc1Cl 12977683 INZLZSLXSSOKLM-RMKNXTFCSA-N 413.326 3.372 0 40 HGAB Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)Cc3c(F)cccc3Cl)CC2)c1 12999202 JIJULAKLTXVMFX-UHFFFAOYSA-N 424.925 3.172 0 40 HGAB COc1ccc([C@@H]2[C@H](C(=O)c3ccccc3)[C@@](O)(C(F)(F)F)N(C)C(=O)N2C)cc1 13115519 PKQPXAKKMPEKAN-MBOZVWFJSA-N 422.403 3.484 0 40 HGAB O=S1(=O)c2ccccc2[C@@H](O)[C@H](Cc2ccncc2)N1CCCc1ccccc1 13725473 JVRQXALBGHTMJD-JTHBVZDNSA-N 408.523 3.363 0 40 HGAB COc1ccc(OCc2nnc(SCC(=O)Nc3ccccc3F)n2C)cc1 13845048 ACAXQXZENUIUNE-UHFFFAOYSA-N 402.451 3.273 0 40 HGAB CC(C)c1nnc(NC(=O)[C@H]2CC(=O)N(CCc3c[nH]c4ccc(F)cc34)C2)s1 13944936 PRAGYAMPPKQZRY-ZDUSSCGKSA-N 415.494 3.312 0 40 HGAB C[C@H](NC(=O)[C@H]1CC(=O)N(Cc2ccccc2Cl)C1)c1ccc(-n2cncn2)cc1 14200047 JCVIXNUXKAVLHP-YJBOKZPZSA-N 423.904 3.147 0 40 HGAB C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)NCc3cccc(Cl)c3)cc2)C[C@@H](C)O1 14254662 YMTXINHYMWJEDV-GASCZTMLSA-N 422.934 3.068 0 40 HGAB Cc1ccc(S(C)(=O)=O)cc1C(=O)Nc1ccc(I)cc1 14862747 OPZZOOFPQAMKGK-UHFFFAOYSA-N 415.252 3.255 0 40 HGAB COc1cc(CCC(=O)N2CCCN(C)c3nc4ccccc4nc32)cc(OC)c1 15607736 FSJYENWCRZOECF-UHFFFAOYSA-N 406.486 3.453 0 40 HGAB Cc1nn(CC(C)C)c2sc(C(=O)O[C@@H](C)C(=O)NC(=O)NC(C)(C)C)cc12 17107844 UMWZFKWMQXHHAB-LBPRGKRZSA-N 408.524 3.232 0 40 HGAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 17636102 DHZMZKLECOTDFT-OAHLLOKOSA-N 400.887 3.472 0 40 HGAB C[C@@H](Sc1nnc(-c2cccnc2)n1C1CC1)C(=O)NCc1ccc2c(c1)OCO2 17893328 BXRZDLCUSZOVCO-CYBMUJFWSA-N 423.498 3.201 0 40 HGAB CC(=O)Nc1ccc(CN2CCC(c3ncc(Cl)cc3S(C)(=O)=O)CC2)cc1 19022432 ABILPJWGLUBHPG-UHFFFAOYSA-N 421.950 3.477 0 40 HGAB O=C(c1cccnc1)N1CCCC[C@@H]1c1nc(O)c2c(n1)CN(C1CCCC1)CC2 19337596 UXTWBYYHJOAFPQ-HXUWFJFHSA-N 407.518 3.245 0 40 HGAB O=c1[nH]c(-c2ccncc2)nc2c1CCN(Cc1cccn1-c1ccc(F)cc1)C2 19341640 VCEDGYJDQOZSKC-UHFFFAOYSA-N 401.445 3.320 0 40 HGAB CNC(=O)c1ccccc1NC(=O)c1sc2nc3n(c(=O)c2c1C)CCCCC3 19358502 WEIMVNUPAPXAMF-UHFFFAOYSA-N 410.499 3.105 0 40 HGAB O=C(Cc1ccccc1)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CCN(C2CCCCC2)C3)C1 19370113 ZWHPRKMKBHVMHC-LJQANCHMSA-N 420.557 3.019 0 40 HGAB CCc1cc(C(F)(F)F)n2ncc(C(=O)Nc3ccc4c(c3)NC(=O)[C@H](C)O4)c2n1 19522188 GHBQNBUHILSFGK-VIFPVBQESA-N 419.363 3.282 0 40 HGAB Cc1sc2ncn(CCC(=O)N3CCC(N4CCC(C)CC4)CC3)c(=O)c2c1C 19561588 HEBBAYVEQKIHHD-UHFFFAOYSA-N 416.591 3.188 0 40 HGAB CN(CCO)C(=O)c1cc([C@@H]2CN(Cc3ccc(F)cc3)CCO2)nc2ccccc12 19754429 KFZYPXOLXDFOPY-QHCPKHFHSA-N 423.488 3.012 0 40 HGAB COc1ccc(NC(=O)c2cnc(C3CCN(Cc4ncc[nH]4)CC3)nc2C)cc1 19764207 IVSYLUQODZZAPG-UHFFFAOYSA-N 406.490 3.149 0 40 HGAB CCN(CC(=O)NCCC1=CCCCC1)S(=O)(=O)c1ccc(OC)c(Cl)c1 19930049 DYRVOCVRUVUKNT-UHFFFAOYSA-N 414.955 3.366 0 40 HGAB CCC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(OC)c(C)c1 20009060 WAINHJOGCVZNPG-FXAWDEMLSA-N 418.559 3.198 0 40 HGAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(F)c(F)c3)CC2)cc1 20017251 XOAKBYDQHHPKJF-UHFFFAOYSA-N 424.469 3.403 0 40 HGAB COC(=O)c1cccc(NC(=O)N2CCc3nc[nH]c3[C@H]2c2ccccc2OC)c1 20761080 JYFUZLNSYALOBA-HXUWFJFHSA-N 406.442 3.385 0 40 HGAB biogenic CN(C(=O)CN1CCN(Cc2ccc3c(c2)OCO3)CC1)[C@@H]1CCCc2ccccc21 21972733 GHULAZDUURVCAT-JOCHJYFZSA-N 421.541 3.069 0 40 HGAB CCOC(=O)N1CCC(NC(=O)CCc2ncc(-c3c(F)cccc3F)o2)CC1 22278886 OUESVBBIOFGKDH-UHFFFAOYSA-N 407.417 3.290 0 40 HGAB COc1ccc([C@H](CC(=O)Nc2nc(CN3CCCCC3)cs2)NC(C)=O)cc1 22290821 QBMRAQKFFVCGCB-IBGZPJMESA-N 416.547 3.344 0 40 HGAB CCN(Cc1ccc(OC)c(OC)c1)C(=O)CN1C(=O)COc2ccc(Cl)cc21 22416401 YSOVMHUMBMOYNB-UHFFFAOYSA-N 418.877 3.131 0 40 HGAB Cc1cccc(NC(=O)CN2CCN(Cc3nc(-c4ccc(F)cc4)no3)CC2)c1C 22933813 DGURLNOBJAMRPS-UHFFFAOYSA-N 423.492 3.249 0 40 HGAB O=C(c1cc(=O)[nH]c2ccccc12)N1CCN(CCOc2ccc(Cl)cc2)CC1 23642464 MBMWWRJXIXJVIZ-UHFFFAOYSA-N 411.889 3.018 0 40 HGAB CC(C)(C)OC(=O)Nc1ccc(CC(=O)N2CCN(C(=O)c3ccoc3)CC2)cc1 25239853 VBICLYMBXHJKSN-UHFFFAOYSA-N 413.474 3.154 0 40 HGAB O=C(NC[C@@H]1CCN(c2ccccc2)C1)[C@@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 27843666 VGYSQCUQLDXTOE-GHTZIAJQSA-N 403.526 3.171 0 40 HGAB COc1ccc(OC)c(S(=O)(=O)N[C@@H](C)c2cnn(-c3ccc(F)cc3)c2C)c1 32808823 XJYRGIJWILRWTI-ZDUSSCGKSA-N 419.478 3.377 0 40 HGAB C[C@H](NC(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccccc1 32862938 MWPOFAWTWBSWNK-KRWDZBQOSA-N 401.532 3.422 0 40 HGAB C[C@H](NC(=O)c1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1)c1cccnc1 32901554 HDABFGDLUKDOBE-AWEZNQCLSA-N 406.467 3.134 0 40 HGAB CCN(C(=O)CN1CCCN(c2ncc(C(F)(F)F)cc2Cl)CC1)C1CC1 32913771 QFWFHGDVXBOGMJ-UHFFFAOYSA-N 404.864 3.277 0 40 HGAB Cc1cc2occ(CC(=O)NCc3ccc(S(N)(=O)=O)s3)c2cc1C(C)C 32988849 NSAVAOLJJGJPEL-UHFFFAOYSA-N 406.529 3.432 0 40 HGAB Cc1ccc(-n2c(N3CCC[C@@H](C(=O)NCC4CC4)C3)nc3ccsc3c2=O)cc1 33302530 NIKYADRXAUZLMC-QGZVFWFLSA-N 422.554 3.498 0 40 HGAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(N4CCCCCC4)o3)C2=O)o1 33526287 AAINLYYAFBQFFA-VBKFSLOCSA-N 413.430 3.133 0 40 HGAB O=C(Cc1cccc(F)c1)NCC(=O)Nc1ccc2nc(N3CCCC3)sc2c1 40145189 MKVGWAWVEWCXKG-UHFFFAOYSA-N 412.490 3.333 0 40 HGAB CSc1ccccc1C(=O)N1CCN(C(=O)[C@H]2C[C@@H]2c2ccc3c(c2)OCO3)CC1 42382355 LHDKVFBFIFUNDA-MSOLQXFVSA-N 424.522 3.225 0 40 HGAB Cc1ccc(O[C@@H](C)C(=O)NC2CCN(c3ncccn3)CC2)c(Br)c1 44525097 IJZSKGWPESZBAW-AWEZNQCLSA-N 419.323 3.100 0 40 HGAB COc1ccccc1CN(C)C(=O)CN(c1ccc(C(C)(C)C)cc1)S(C)(=O)=O 44902409 OUFJDIYPIRTQOV-UHFFFAOYSA-N 418.559 3.417 0 40 HGAB CCc1ccccc1N(CC(=O)NCc1ccc(OC(C)C)cc1)S(C)(=O)=O 44904000 WEWQAPIVAOYJTH-UHFFFAOYSA-N 404.532 3.119 0 40 HGAB CCOc1cccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccccc3)CC2)c1 44904578 GINFZRNPTIJUFM-UHFFFAOYSA-N 402.516 3.266 0 40 HGAB O=C(Cn1cnc2nc(N3CCCCC3)sc2c1=O)Nc1ccccc1Cl 45970141 RVPPRUKMKGXICO-UHFFFAOYSA-N 403.895 3.135 0 40 HGAB CCN([C@@H]1CCN([C@@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc2c(c1)C(=O)OC2 48235341 ZRNZAWGGLVDCSL-QFBILLFUSA-N 414.527 3.203 0 40 HGAB COc1cccc(CNC(=O)[C@H](CCSC)NC(=O)c2ccc3ccccc3n2)c1 48375193 NMNPTHRYDPPSIF-NRFANRHFSA-N 423.538 3.411 0 40 HGAB COc1ccc(OCc2nc(C)cc(=O)n2CC(=O)Nc2cccc(Cl)c2)cc1 51319372 VDDKCODPCLTZFM-UHFFFAOYSA-N 413.861 3.431 0 40 HGAB CCC(C)(C)NC(=O)c1ccc(NS(=O)(=O)c2ccc(OC)c(OC)c2)cc1 55648236 LIWVTUCJNJAFLE-UHFFFAOYSA-N 406.504 3.423 0 40 HGAB COc1ccc(-c2noc(CCC(=O)NCc3ccccc3-n3ccnc3)n2)cc1 55696885 FVXCSVDQSLBZJU-UHFFFAOYSA-N 403.442 3.180 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3cc(C)oc3C)o2)cc1 56905317 ONDALOTWVRBWTH-UHFFFAOYSA-N 418.475 3.229 0 40 HGAB O=C(O)c1cc(NS(=O)(=O)c2ccc(F)cc2F)ccc1N1CCSCC1 58364445 IKHNZJRZZFBKND-UHFFFAOYSA-N 414.455 3.017 0 40 HGAB CC(C)CNC(=O)c1cc([C@@H]2CN(C(=O)c3cccnc3)CCO2)nc2ccccc12 72355001 YNSWYTAUXFIFES-QFIPXVFZSA-N 418.497 3.229 0 40 HGAB CC(=O)Nc1c[nH]nc1[C@@H]1CCCN(C(=O)c2cnc(OC(C)C)c(Cl)c2)C1 95998630 ORSUOZLKZBRUDU-CYBMUJFWSA-N 405.886 3.224 0 40 HGAB COC1(CNS(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)C2CC3CC(C2)CC1C3 96123902 OMSDRHCIEQVPEA-NHOGNMSQSA-N 409.592 3.143 0 40 HGAB COc1ccc(S(=O)(=O)C2CN(C(=O)C3(c4cccs4)CCCC3)C2)cc1 96377877 FKOFCPQJDSESAR-UHFFFAOYSA-N 405.541 3.253 0 40 HGAB Cc1cccc2s/c(=N/C(=O)CCCS(=O)(=O)c3ccc(F)cc3)n(C)c12 101116994 FMSVOZCMDFUPJB-XUTLUUPISA-N 406.504 3.369 0 40 HGAB COc1ccc2c(c1)O[C@@]1(C)C[C@H]2[C@@H](S(=O)(=O)c2ccc(C)c(C)c2)C(=O)N1C 101626649 OYBBHNSNPLGJCZ-UZKOGDIHSA-N 415.511 3.209 0 40 HGAB C[C@H]1C(=O)Nc2ccc(C(=O)CSc3nnc(-c4ccc5c(c4)OCO5)o3)cc21 102779407 IBWHQVADERQHQG-SNVBAGLBSA-N 409.423 3.496 0 40 HGAB COC(=O)c1cccc(NC(=O)[C@@H](C)N(c2ccc(C)c(Cl)c2)S(C)(=O)=O)c1 220366729 LLHALOBFCYRULV-CYBMUJFWSA-N 424.906 3.228 0 40 HGAB CC[C@@H](C(=O)N[C@H](C)CCc1ccccc1)N(c1cccc(OC)c1)S(C)(=O)=O 220624082 PDZBRKTXKFJUQP-UTKZUKDTSA-N 418.559 3.377 0 40 HGAB CC[C@@H](C(=O)NCCCc1ccc(F)cc1)N(c1ccc(OC)cc1)S(C)(=O)=O 220652861 ATQQWPRPYKKQRC-FQEVSTJZSA-N 422.522 3.128 0 40 HGAB CCc1ccc(N(CCCC(=O)Nc2ccc(OC)cc2OC)S(C)(=O)=O)cc1 222639676 VTMXDMSFPFRXLQ-UHFFFAOYSA-N 420.531 3.451 0 40 HGAB Cc1ccc(C(=O)NCc2ccc3ccccc3c2)cc1S(=O)(=O)N1CCOCC1 222774827 YJMPSYFYBNUFPW-UHFFFAOYSA-N 424.522 3.099 0 40 HGAB CCNC(=O)c1cc(S(=O)(=O)N[C@@H](C)c2cc(C)c(C)cc2C)ccc1OC 223448781 KBKCVSDSWGYLMN-INIZCTEOSA-N 404.532 3.410 0 40 HGAB CCCc1ccc(OCCNC(=O)CN(c2cc(C)ccc2C)S(C)(=O)=O)cc1 223624857 UEAAZWOMRARUBX-UHFFFAOYSA-N 418.559 3.217 0 40 HGAB CC(C)OCCCNC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2F)c1 224157417 ISZOSVZREAHVTE-UHFFFAOYSA-N 408.495 3.196 0 40 HGAB Cc1cccc(N(CCCC(=O)NCCOc2ccc(C)c(C)c2)S(C)(=O)=O)c1 224627608 UIRSWUGWFQNYDZ-UHFFFAOYSA-N 418.559 3.353 0 40 HGAB O=C(NCCCc1ccc(Cl)cc1)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 225510581 FJEMEUGQTDAVOG-SFHVURJKSA-N 420.962 3.490 0 40 HGAB COc1ccc(-c2noc(CNC(=S)Nc3ccc(OC)c(OC)c3)n2)cc1 225823645 HPJGAOOTAJDYTF-UHFFFAOYSA-N 400.460 3.249 0 40 HGAB O=C1C[C@H](N2CCCC[C@H]2CCO)C(=O)N1c1ccc(Cl)c(C(F)(F)F)c1 249911465 PBAVITCTMCJRJB-NHYWBVRUSA-N 404.816 3.228 0 40 HGAB CC(=O)Nc1ccc([C@H]2OCC[C@@]34C[C@@H](C[C@H]23)C(C)(C)[C@H]4NC(=O)CCO)cc1 257262584 LLZUGSKUIBUDHN-DDRMBWNKSA-N 400.519 3.026 0 40 HGAB CC(=O)N1CCC(Cc2cccc(F)c2)(C(=O)N2CCC[C@@H](c3ccn[nH]3)C2)CC1 257275279 NOQXFYRLRPNXEL-LJQANCHMSA-N 412.509 3.126 0 40 HGAB CC(C)n1cnc([C@@H]2CN(Cc3ccco3)C[C@]23CCN(Cc2ccncc2)C3=O)c1 306133217 MFKDTSHKJNOXDP-XUZZJYLKSA-N 419.529 3.470 0 40 HGAB COc1cccc(-c2cnc3n2C[C@@]2(CCN(Cc4ccc5c(c4)OCO5)C2)OC3)c1 306144164 YXXOJMQINNXWBE-DEOSSOPVSA-N 419.481 3.462 0 40 HGAB CCCNS(=O)(=O)c1ccc(OCC(=O)NC2CCCCCC2)c(Cl)c1 408530293 KAXHIHRNOQZUEZ-UHFFFAOYSA-N 402.944 3.246 0 40 HGAB C[C@@H](C(=O)Nc1cccc(Br)c1)N(c1ccc(F)cc1)S(C)(=O)=O 408557297 MIHVKFDWWMXXSY-NSHDSACASA-N 415.284 3.381 0 40 HGAB CCCCNC(=O)C1CCN(S(=O)(=O)c2cc(Cl)ccc2OCC)CC1 408557774 NXMSEVRIXBFHDX-UHFFFAOYSA-N 402.944 3.056 0 40 HGAB COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)C(=O)Nc1ccc(Cl)cc1 408601419 AVYLYDALAOAYBT-JTQLQIEISA-N 403.287 3.308 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)Nc2cc(C)ccc2OC)cc1 408616773 AYNYCZMZEHLOBA-UHFFFAOYSA-N 406.504 3.052 0 40 HGAB O=C(NCc1ccc2c(c1)OCO2)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 408707792 FBMQOOHXIUJCJE-UHFFFAOYSA-N 400.740 3.342 0 40 HGAB CC(C)(C)CNC(=O)[C@@]12CCC(=O)N1c1ccccc1C(=O)N2Cc1ccccc1 546807959 SCRAHJLNUUFJKQ-XMMPIXPASA-N 405.498 3.328 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(-c2noc(/C=C/c3cncc(F)c3)n2)cc1 547045123 YIIIZPAPELWDGC-BJMVGYQFSA-N 402.451 3.472 0 40 HGAB C[C@]1(O)CN(C(=O)Cc2cc(Cl)c3c(c2)OCCO3)CC[C@@H]1Oc1ccccc1 585262234 NVROQNPIOZSAHL-UGKGYDQZSA-N 417.889 3.085 0 40 HGAB Cn1cc(-c2cc(CNS(=O)(=O)Cc3cccc(C(F)(F)F)c3)ccn2)cn1 670879632 BNQLQROVXOXRGY-UHFFFAOYSA-N 410.421 3.121 0 40 HGAB CCOC(=O)[C@@H](NC(=O)c1cc(C(=O)OC(C)(C)C)nn1C)c1cccc(C)c1C 1523620162 LBXXDMWLHUTYSK-SFHVURJKSA-N 415.490 3.026 0 40 HGAB Cc1ncnc(C(=O)N2CCC3(CC[C@H]3NC(=O)CCc3ccccc3)CC2)c1C 1614937867 SGHZTAOJRCYGJJ-HXUWFJFHSA-N 406.530 3.227 0 40 HGAB Cc1sc(NC(=O)CN(Cc2ccc(F)cc2)C(=O)C2CCC2)c(C(N)=O)c1C 1368423 JYZOQMNIHCLQEY-UHFFFAOYSA-N 417.506 3.370 0 40 HGAB CCCOc1ccc([C@@H]2C(C(=O)OCCOC)=C(C)N=C3SCCC(=O)N32)cc1 2497853 VPDSQYXKYYYXNR-LJQANCHMSA-N 418.515 3.315 0 40 HGAB O=C(CN1C(=O)N/C(=C\c2ccc(F)cc2)C1=O)Nc1cccc(C(F)(F)F)c1 2551702 PCBRQSQJLRMXQT-NVNXTCNLSA-N 407.323 3.376 0 40 HGAB O=C(COC(=O)COc1cccc(F)c1)Nc1ncc(C(F)(F)F)cc1Cl 3270007 FHKSRRTUIRVIMP-UHFFFAOYSA-N 406.719 3.454 0 40 HGAB CCc1sc2nc(SCC(=O)NC)n(-c3cccc(OC)c3)c(=O)c2c1C 3280836 HTUKMAIFZIIVQH-UHFFFAOYSA-N 403.529 3.165 0 40 HGAB Cc1ccc(S(=O)(=O)NC(=O)Nc2ccccc2Sc2cnccn2)cc1 4110252 QCHHWGBQJRCHMV-UHFFFAOYSA-N 400.485 3.447 0 40 HGAB CCOC(=O)c1c(NC(=O)/C=C/C(=O)O)sc2c1CCN(Cc1ccccc1)C2 4143406 QUWAIYAGJNTNHP-CMDGGOBGSA-N 414.483 3.062 0 40 HGAB CCOc1ccc(CN2CCC(C(=O)NCC(C)(C)CN(C)C)CC2)cc1OC 4698604 YLZKDRQKQWCSAV-UHFFFAOYSA-N 405.583 3.010 0 40 HGAB CCn1c(SCC(=O)NC2CCCC2)nnc1[C@H](C)NC(=O)c1ccccc1F 4735969 FCUQPLFMTMLXIR-ZDUSSCGKSA-N 419.526 3.079 0 40 HGAB CC(=O)Nc1ccc(NC(=O)[C@H](C)N(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1 4834930 XVKDIIVAYGGDBM-HNNXBMFYSA-N 403.504 3.055 0 40 HGAB Cc1ccc(CNC(=O)C(=O)Nc2c3c(nn2-c2ccc(F)cc2)CSC3)cc1 4941724 ZYGCEOFNZFXQOI-UHFFFAOYSA-N 410.474 3.322 0 40 HGAB Cc1ccc(-n2nnnc2SCC(=O)Nc2ccc3nccnc3c2)cc1Cl 5346681 CODKGGUAJBGPIV-UHFFFAOYSA-N 411.878 3.298 0 40 HGAB O=C(CSc1ncnc2sc3c(c12)CCCC3)NC(=O)NCc1ccco1 6111954 SMMZAPZXYGUFRP-UHFFFAOYSA-N 402.501 3.281 0 40 HGAB COc1ccc(N2C(=O)C(=O)N(CCOc3c(Cl)cccc3Cl)C2=O)cc1 6114706 ZLCGMZKKGLAKFI-UHFFFAOYSA-N 409.225 3.376 0 40 HGAB CC(=O)Nc1ccc(NC(=O)[C@@H](C)OC(=O)CCC(=O)c2ccc(F)cc2)cc1 6267068 HXTBEJVNAGGZOM-CYBMUJFWSA-N 400.406 3.317 0 40 HGAB CC(C)[C@H](NS(=O)(=O)c1c(Cl)cccc1Cl)C(=O)Nc1nccs1 7061358 HUSFGLAGNQCVFN-NSHDSACASA-N 408.332 3.392 0 40 HGAB CC[C@H](OC(=O)[C@H]1CC(=O)N(c2cc(OC)ccc2OC)C1)C(=O)c1ccccc1 7881565 XVEQFVIUTFWMKX-LPHOPBHVSA-N 411.454 3.261 0 40 HGAB COc1ccc([C@H](CNC(=O)c2ccc(N3CCCC3=O)cc2)N2CCCC2)cc1 8193168 WMCRFTYKQKPIRV-QFIPXVFZSA-N 407.514 3.389 0 40 HGAB Cn1c(-c2ccc(C(F)(F)F)cc2)nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 8343812 XNPUUTFRASSSDU-UHFFFAOYSA-N 400.360 3.157 0 40 HGAB C[C@@H](CNC(=O)CN(C)CC(=O)Nc1ccccc1Br)c1ccccc1 8345160 LPYZYIDUEUUMFY-HNNXBMFYSA-N 418.335 3.239 0 40 HGAB O=C(NC(=S)Nc1ccc(Br)cn1)c1cncc(Br)c1 8451342 LBUFQASGKQYSAM-UHFFFAOYSA-N 416.098 3.128 0 40 HGAB aggregator COc1ccc(-n2ccnc2SCC(=O)Nc2ccccc2N2CCOCC2)cc1 8725335 ADZDQYCEYDCHNX-UHFFFAOYSA-N 424.526 3.448 0 40 HGAB Cc1cc(S(=O)(=O)Nc2ccc(Cl)c(N3CCCS3(=O)=O)c2)ccc1F 8768525 YKWNCFHPBPRNOU-UHFFFAOYSA-N 418.899 3.128 0 40 HGAB C[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)O[C@@H](C)C(=O)N(C)c1ccccc1 8939980 AJCQROFNRZYFRX-WAWSTRMLSA-N 412.530 3.302 0 40 HGAB O=C(COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1)NCc1ccncc1 9061077 KCITVCMXBFVVAU-UHFFFAOYSA-N 402.406 3.256 0 40 HGAB biogenic CCCN(CC(=O)Nc1cccc(NC(C)=O)c1)S(=O)(=O)c1ccc(Cl)cc1 9282863 CGCLCMCWGYFGNO-UHFFFAOYSA-N 423.922 3.338 0 40 HGAB CCc1ccc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(Br)cc2)cc1 10041326 JEIUIDRKOQVCIY-GFCCVEGCSA-N 411.321 3.317 0 40 HGAB COc1ccc(-c2nn3c(Cc4ccc(OC)c(OC)c4)nnc3s2)c(OC)c1 10311772 VJRIHBLOIDZNJL-UHFFFAOYSA-N 412.471 3.478 0 40 HGAB CCOC(=O)c1cccc(NC(=O)[C@H](C)N(c2cc(C)cc(C)c2)S(C)(=O)=O)c1 10441278 CNPYYXPTGBYPFW-INIZCTEOSA-N 418.515 3.273 0 40 HGAB Cc1cc(NS(=O)(=O)c2cccc(C(=O)NCc3ccc(F)c(C)c3)c2)no1 10552612 PQYMHVVJFOFIMI-UHFFFAOYSA-N 403.435 3.161 0 40 HGAB C[C@H]1C[C@H](C)CN(c2nnc(SCC(=O)NC(C)(C)C)n2Cc2ccco2)C1 11426770 QGXBGLMZZKSMFO-GJZGRUSLSA-N 405.568 3.409 0 40 HGAB Cc1cc(NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2C)n(C)n1 11454138 SYQVULFRJANMIG-UHFFFAOYSA-N 419.510 3.467 0 40 HGAB Cc1cc(-c2cncnc2[C@@H]2CCCN(C(=O)c3ccc(Cn4cccn4)o3)C2)on1 12128127 XYOGNGPBUYQCAB-MRXNPFEDSA-N 418.457 3.298 0 40 HGAB CCOc1ccc(OCCC(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)cc1 12174050 JIRMPCBDKPUJFT-UHFFFAOYSA-N 404.488 3.033 0 40 HGAB COC(=O)c1ccc2c(=O)n(CCCC(=O)NC3CCCCC3)c(=S)[nH]c2c1 12415895 SJKXHBSJPJOSKH-UHFFFAOYSA-N 403.504 3.075 0 40 HGAB Cc1ccccc1CN1CCN(C(=O)CN2CCC(C(=O)c3ccccc3)CC2)CC1 12818174 FAMWOHQRYXVQIQ-UHFFFAOYSA-N 419.569 3.234 0 40 HGAB COC(=O)C[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc(SC)cc2)C1)c1cccs1 12872069 RSPWJLLUWTZFBG-BBRMVZONSA-N 418.540 3.244 0 40 HGAB COc1ccc(NC(=O)CSCC(=O)OCc2cccc(OC)c2OC)cc1 12879262 LJIVZDSDMPAPCZ-UHFFFAOYSA-N 405.472 3.128 0 40 HGAB O=C(CCNS(=O)(=O)c1cccs1)N1CCC[C@H]1c1nc2ccccc2s1 13062323 BJYVXXZRSWWPEB-AWEZNQCLSA-N 421.569 3.390 0 40 HGAB CCOc1c(Cl)cc(/C=C/C(=O)N(C)CC(=O)NCc2ccco2)cc1OC 13096711 VECNJAIAOQDXSE-BQYQJAHWSA-N 406.866 3.128 0 40 HGAB COc1ccccc1-c1nc(S(=O)(=O)c2ccc3c(c2)OCCO3)c(N(C)C)o1 13721406 XDSOJZWWEQSQTM-UHFFFAOYSA-N 416.455 3.020 0 40 HGAB COC(=O)c1c(C)[nH]c(C(=O)NC[C@H](c2ccc(OC)cc2)N2CCCCC2)c1C 14079255 FVKPEXNKWLDDPR-LJQANCHMSA-N 413.518 3.384 0 40 HGAB CC(C)n1nccc1NC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1 14108309 FJKYMIDNDGAVHU-UHFFFAOYSA-N 424.526 3.463 0 40 HGAB CCOC(=O)N1CCN(CC(=O)Nc2ncc(Cc3ccccc3Cl)s2)CC1 14245786 WVWFRJBXEFXUNS-UHFFFAOYSA-N 422.938 3.100 0 40 HGAB Cc1ccccc1C(=O)NCCC(=O)NCc1ccc(C(=O)N2CCCCC2)cc1 14252223 OHIBCEDSWLXERO-UHFFFAOYSA-N 407.514 3.057 0 40 HGAB O=C(Nc1ccccc1)C1CCN([C@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)CC1 15470121 FXEWUPVNCIMYDZ-IBGZPJMESA-N 411.889 3.323 0 40 HGAB CCc1cccc(CC)c1NC(=O)CN(C)S(=O)(=O)c1ccc(OC)c(OC)c1 16162283 QMLJMYVEJGNQCW-UHFFFAOYSA-N 420.531 3.088 0 40 HGAB CCCCn1nc(C)c2c(C(=O)N3CCN(Cc4cnn(CC)c4)CC3)cc(C)nc21 17093672 RENYAUMMHRJMJT-UHFFFAOYSA-N 423.565 3.023 0 40 HGAB O=C(Cc1noc2ccccc12)Nc1c(C(=O)N2CCOCC2)oc2ccccc12 18948685 CXLXMQSNBBGQCR-UHFFFAOYSA-N 405.410 3.228 0 40 HGAB CCOc1ccc(O[C@H](C)C(=O)N2CCC(c3cc4ncccc4c(=O)[nH]3)CC2)cc1 19533580 LUFHZOUGMHPLKG-MRXNPFEDSA-N 421.497 3.495 0 40 HGAB COc1cc(CC(=O)N2CCC[C@H](c3ccnc(-c4ccncc4)n3)C2)ccc1O 19550040 GNQYAIASZVWPNP-SFHVURJKSA-N 404.470 3.202 0 40 HGAB Cc1nc2ncnn2c(C)c1CCC(=O)N1CCC[C@@H](COc2ccccc2F)C1 19578522 GZHZSBXVLKSJTN-QGZVFWFLSA-N 411.481 3.130 0 40 HGAB Cc1csc(N(C(=O)CN(C)S(=O)(=O)c2cccs2)c2ccccc2)n1 19622092 WKIXYRJICZOYNK-UHFFFAOYSA-N 407.542 3.498 0 40 HGAB COCC(=O)N1CCC(c2nc(C)c3c(n2)N(CCc2ccccc2)CCC3)CC1 19705657 KRJVXQFOKYTGBV-UHFFFAOYSA-N 408.546 3.133 0 40 HGAB CC1CCN(CC(=O)Nc2cnn(CC(=O)Nc3cccc(C(F)(F)F)c3)c2)CC1 19746111 QHFMHJRUSWNOEX-UHFFFAOYSA-N 423.439 3.211 0 40 HGAB CCOC(=O)[C@@H]1C(=O)N=C(N2CCc3ccccc3C2)N[C@H]1c1ccccc1Cl 20801428 QNHXJVLZHMGCOR-OALUTQOASA-N 411.889 3.105 0 40 HGAB CCNS(=O)(=O)c1ccc(C)c(C(=O)OCC(=O)c2ccc(Cl)s2)c1 21367701 GUPNMNPFDHWJEE-UHFFFAOYSA-N 401.893 3.048 0 40 HGAB CCOc1ccc(NC(=O)CN(C)CC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)cc1OCC 21580092 ZYMHZYHPCASTHA-ZIFCJYIRSA-N 419.566 3.295 0 40 HGAB COc1ccc(NC(=O)CN(c2cccc(Cl)c2C)S(C)(=O)=O)c(OC)c1 22273596 FNJLTLFRRIEZJF-UHFFFAOYSA-N 412.895 3.070 0 40 HGAB Cc1nn(C)c(Cl)c1C(=O)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1 22324267 ZQSMONRWFLMMRG-UHFFFAOYSA-N 400.832 3.359 0 40 HGAB CCOC(=O)c1ccc(NS(=O)(=O)Cc2ccc(C(=O)OC)cc2)cc1Cl 22513899 LHKAEIFTZFPFEK-UHFFFAOYSA-N 411.863 3.245 0 40 HGAB CCc1ccc(NC(=O)[C@@H](C)N2CCN(CC(=O)Nc3cccc(C)c3C)CC2)cc1 22799222 YXSNXRHXRLWJRY-HXUWFJFHSA-N 422.573 3.449 0 40 HGAB CCc1nc2sc([C@H](c3cccc(Br)c3)N3CCOCC3)c(O)n2n1 22854193 PDYPEMKHAYSSGH-AWEZNQCLSA-N 423.336 3.243 0 40 HGAB CCN(Cc1ccc2c(c1)OCCO2)C(=O)CSCC(=O)Nc1cccc(C)c1 23186982 MNJJZANCKJURIS-UHFFFAOYSA-N 414.527 3.487 0 40 HGAB O=C1C(=O)N(C2CCCC2)C(=O)N1CN1CCC(c2nc3ccccc3s2)CC1 23805783 OZUCKHSFFGDGKX-UHFFFAOYSA-N 412.515 3.167 0 40 HGAB COc1ccc(-c2cc(NC(=O)CN3CSCC3=O)ccc2OC(F)F)cc1 24591943 KQSGYPWPDVZJLV-UHFFFAOYSA-N 408.426 3.435 0 40 HGAB CCc1ccc(C(=O)N2CCN(C(=O)c3ccc(NC(=O)NC4CC4)cc3)CC2)cc1 24620951 DHQFSWWUBADGEC-UHFFFAOYSA-N 420.513 3.131 0 40 HGAB CCn1c(SCc2nnc3n(C)c(=O)c4ccccc4n23)nnc1-c1cccs1 24702639 KCSFUSKFOSLDIY-UHFFFAOYSA-N 423.527 3.213 0 40 HGAB C[C@H]1CCc2[nH]c3c(C(=O)NCCCN4C(=O)NC5(CCCC5)C4=O)cccc3c2C1 30681929 HGHMLSLWBKXXNR-HNNXBMFYSA-N 422.529 3.277 0 40 HGAB Cc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)c2cccnc12 31094091 JRRJLXNQWPXFPS-HNNXBMFYSA-N 403.438 3.306 0 40 HGAB O=C1CSc2sc3c(=O)n(C[C@@H](c4ccccc4)N4CCCC4)cnc3c2N1 32624501 NHACXNTZQWZEIK-AWEZNQCLSA-N 412.540 3.339 0 40 HGAB CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1cccc(OC[C@@H]2CCCO2)c1 32776864 HZJCIYOMZMSRBZ-NZQKXSOJSA-N 421.497 3.412 0 40 HGAB CCOC(=O)/C=C1/SCC(=O)N1CCOC(=O)c1cc(SC)ccc1Cl 33479005 DXGYGUJFFRICQG-OQLLNIDSSA-N 415.920 3.199 0 40 HGAB Cc1ccc2c(c1)CCCN2CC(=O)N[C@@H](C)[C@@H](c1ccccc1)N1CCOCC1 37185778 JIHGGXHJWGMNAV-CPJSRVTESA-N 407.558 3.326 0 40 HGAB Cc1csc2nc(COC(=O)/C=C/c3c(Cl)nc4sccn34)cc(=O)n12 39608239 LCGBURWYFVQSLI-NSCUHMNNSA-N 406.876 3.184 0 40 HGAB COc1ccc(-c2nnc(NC(=O)NCc3ccc(OC)c(OC)c3)o2)c(OC)c1 42381187 SRAXIOFOZSTLPO-UHFFFAOYSA-N 414.418 3.093 0 40 HGAB CS(=O)(=O)N(CC(=O)NCc1ccc(Cl)cc1Cl)c1ccccc1F 44791448 VXNFZHLGHUGBFH-UHFFFAOYSA-N 405.278 3.215 0 40 HGAB CN(C)C[C@@H](CNC(=O)Nc1ccc(N2CCCCC2)nc1)[C@H](O)c1ccccc1 48278418 CMJOFTRJPPJZHU-DENIHFKCSA-N 411.550 3.105 0 40 HGAB O=c1c2cc(-c3ccc(F)cc3)nn2cnn1Cc1nc(-c2ccc(Cl)cc2)no1 49004302 QHLZTVJPMLTPND-UHFFFAOYSA-N 422.807 3.449 0 40 HGAB CN(C)C(=O)N1CCC[C@@H](C(=O)Nc2nnc(Cc3ccc(Cl)cc3)s2)C1 59745185 ZCPZMIRBUBAPKL-CYBMUJFWSA-N 407.927 3.114 0 40 HGAB O=C(Nc1cccc(Cn2nc3ccccn3c2=O)c1)N[C@@H]1C[C@H]1c1ccc(F)cc1 65412101 ADFWSISHUUKKRS-VQTJNVASSA-N 417.444 3.361 0 40 HGAB CCCCN(C)C(=O)Cn1c(=O)cc(-c2nc(-c3ccncc3)no2)c2ccccc21 67318179 OYHHRCZOOSAOHC-UHFFFAOYSA-N 417.469 3.372 0 40 HGAB CCOC(=O)Cc1csc(NC(=O)c2cn(CC(C)C)c(=O)c3ccccc23)n1 71284593 DCEXJGOBMOBWNN-UHFFFAOYSA-N 413.499 3.472 0 40 HGAB CCCN1CCN(Cc2cnn(C)c2)[C@@H](Cc2cccc(-c3cccnc3)c2)C1=O 72351752 AMNHKUYYIIWYSN-QHCPKHFHSA-N 403.530 3.148 0 40 HGAB CCN(CC)S(=O)(=O)N1CCC(c2ccc(Nc3cccc(C)n3)cn2)CC1 72374205 VDHXPMFCWGQKNA-UHFFFAOYSA-N 403.552 3.295 0 40 HGAB COCCOc1cc(CN2C[C@@H]3CC[C@](O)(c4ncccc4C)[C@H]3C2)ccc1OC 72389834 DZLJSQKFHYZXBA-MZLICYQSSA-N 412.530 3.153 0 40 HGAB C[C@H](Cn1cncn1)C(=O)NC1CCN(CC2(c3ccccc3F)CCCC2)CC1 72393501 QLIGYGUGZOPZIS-GOSISDBHSA-N 413.541 3.146 0 40 HGAB O=C(NC1CCN(Cc2ccccc2)CC1)[C@@H]1CCCN(c2ccc(Cl)nn2)C1 79495093 RURJAEFHQNPQHP-GOSISDBHSA-N 413.953 3.127 0 40 HGAB O=C(CCN1CCCCCC1)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl 84350844 KCTBTSABNVPWPL-UHFFFAOYSA-N 413.971 3.329 0 40 HGAB O=C(CCc1ccccc1Br)NC[C@H]1C[C@@H](O)CN1Cc1ccccc1 95444993 NFWBWQJZRLZGPZ-RTBURBONSA-N 417.347 3.133 0 40 HGAB C[C@@H](NC(=O)c1cc(-c2ccc(Br)s2)[nH]n1)c1nnc2ccccn12 95473983 QTFOBHIWKWLXOD-SECBINFHSA-N 417.292 3.434 0 40 HGAB C[C@@H](C(=O)NCCCc1nnc2ccccn12)c1ccc(C[C@H]2CCCC2=O)cc1 95478586 XUGXHTRJONRJDG-YLJYHZDGSA-N 404.514 3.494 0 40 HGAB CO[C@H]1CCCN(c2ccc(NC(=O)CCc3ccc(S(C)(=O)=O)cc3)cc2)C1 96122461 ICUZCMPCKZWBLA-FQEVSTJZSA-N 416.543 3.277 0 40 HGAB Cc1nc(C)c(C(=O)NC[C@H]2CC[C@H](C(=O)NCCN3CCc4ccccc43)CC2)o1 100766694 LNPVLSGMHQJWJJ-PUZFROQSSA-N 424.545 3.007 0 40 HGAB COc1cc(OC)cc(N2C(=O)[C@H]3N=NN(c4ccc(C)c(Cl)c4)[C@H]3C2=O)c1 101260842 SQHSTPRZBMRPDB-DLBZAZTESA-N 400.822 3.163 0 40 HGAB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N1CCCCC1)Cc1ccccc1 107887521 BNZKDMADTXZQQH-UHFFFAOYSA-N 416.543 3.207 0 40 HGAB Cc1cccc(N(CCCC(=O)NCCCN(C)c2ccccc2)S(C)(=O)=O)c1 219624463 GLXAGUANTVKAHF-UHFFFAOYSA-N 417.575 3.184 0 40 HGAB O=C(NCCSCc1ccccc1F)c1cccc(N2CCCCS2(=O)=O)c1 222557302 JDDNEAWBOPHZPZ-UHFFFAOYSA-N 422.547 3.419 0 40 HGAB COc1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2OC)cc1C 222674318 SYCYIPQQTNMHNU-UHFFFAOYSA-N 418.515 3.439 0 40 HGAB CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(OC)c(OC)c1 222805351 QQKXNMVBGBBXTK-OAHLLOKOSA-N 418.921 3.453 0 40 HGAB CC[C@@H](C(=O)NCCOc1ccc(C)c(Cl)c1)N(c1ccccc1)S(C)(=O)=O 224157280 STRPNMDUECFLDC-IBGZPJMESA-N 424.950 3.388 0 40 HGAB CN(C)c1nc(N2CCCC2)ncc1NC(=O)COc1ccc(Cl)cc1Cl 224353209 LQCUFHTZYFRWIC-UHFFFAOYSA-N 410.305 3.467 0 40 HGAB CCCc1ccc(OCCNS(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1 224374469 XOTMJCFILKDVNM-UHFFFAOYSA-N 402.516 3.123 0 40 HGAB COc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(C(F)(F)F)cc2)cc1F 225113675 FFDGIRPYAUWOGC-UHFFFAOYSA-N 407.341 3.133 0 40 HGAB CCc1ncnc(O[C@H]2CCN(C(=O)CCC(=O)c3ccc(Cl)cc3)C2)c1F 253472332 LKMURFHFDFYHDS-HNNXBMFYSA-N 405.857 3.474 0 40 HGAB CC(=O)N1[C@@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)N2C(=O)CN1CCCCC1 257291523 QHJDSJHJRLSGHB-TYUWDEHNSA-N 423.601 3.474 0 40 HGAB Cc1cc(-c2cnn(C)c2)cc([C@H]2CN(C(=O)CCOc3ccccc3C)CCO2)n1 257305164 SOSDUOYYIZIRIE-HSZRJFAPSA-N 420.513 3.468 0 40 HGAB COc1cccc(Cc2cccc([C@H]3CN(C(=O)CCN4CCC(C)=N4)CCO3)n2)c1 257337895 YUXZQKKJNMRODT-HSZRJFAPSA-N 422.529 3.053 0 40 HGAB CC[C@H]1CCCCN1CCCNC(=O)c1ccc(C)c(N2CCCCS2(=O)=O)c1 260561337 BXDSIDKIGYAAFQ-FQEVSTJZSA-N 421.607 3.309 0 40 HGAB CC(C)n1nccc1[C@@H]1CN(C(=O)C2CC2)C[C@]12CCCN(Cc1ccccn1)C2=O 306141828 WHLKIXGNDWOKJT-GBXCKJPGSA-N 421.545 3.004 0 40 HGAB COC(=O)N1Cc2nnc(-c3ccco3)n2C2(CCN(Cc3ccccc3C)CC2)C1 306143968 YSCVQDABVUJIEV-UHFFFAOYSA-N 421.501 3.420 0 40 HGAB Cc1ccc(N2C[C@@H](C(=O)NCc3ccnc(-c4ccncc4)c3)CC2=O)cc1C 390827189 UVPCZQCQEATYQN-FQEVSTJZSA-N 400.482 3.430 0 40 HGAB CSc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NC[C@@H]3CCCO3)cc2)cc1 408703516 RSSSMVPILRAZSR-KRWDZBQOSA-N 420.556 3.142 0 40 HGAB CCS(=O)(=O)N(CC(=O)Nc1ccc(C(C)C)cc1)c1ccc2c(c1)OCCO2 408703858 ZVRLTBJNGDJSAN-UHFFFAOYSA-N 418.515 3.376 0 40 HGAB Cn1c(=O)c2c(-c3cccc(Cl)c3)c3c(nc2n(C)c1=O)-c1ccccc1[C@H]3O 408989952 URSZKWDLWAZJJX-LJQANCHMSA-N 405.841 3.015 0 40 HGAB CC(C)OC(=O)CN1C(=O)S/C(=C/c2cccn2-c2ccc(C(=O)O)cc2)C1=O 409087836 KHIZKQBTVZWNHI-MHWRWJLKSA-N 414.439 3.163 0 40 HGAB O=C(CNS(=O)(=O)c1ccc(F)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1 409139995 CQOJBLVSCJAALI-UHFFFAOYSA-N 410.776 3.415 0 40 HGAB COc1cc(C)ccc1OCc1nnc(SCC(=O)NCc2ccccc2)n1C 409339916 MSGSWQDBWPUHPZ-UHFFFAOYSA-N 412.515 3.120 0 40 HGAB Cn1c(=O)oc2cc(NC(=O)C3(S(=O)(=O)c4ccccc4)CCCCC3)ccc21 521937633 RHYPFJLQCSMXNI-UHFFFAOYSA-N 414.483 3.247 0 40 HGAB Cc1nc([C@H]2CCCN2C(=O)[C@H]2CCCN(c3ncccc3C(F)(F)F)C2)no1 608175493 QWQDOCCSWCHBHO-DZGCQCFKSA-N 409.412 3.372 0 40 HGAB CN1CCCCN(C(=O)CCN2CCCC2)CCCOc2ccc(Cl)cc2C1=O 643558380 MTIWMJQKUHBUJY-UHFFFAOYSA-N 421.969 3.289 0 40 HGAB CCOC(=O)c1c(NC(=O)CSc2ncnc3[nH]cnc23)sc2ccccc12 1554502581 NWBFOIZHKNEWLZ-UHFFFAOYSA-N 413.484 3.475 0 40 HGAB CCCn1c(=O)c2ccccc2n2c(SCC(=O)N(C)C3CCCCC3)nnc12 1331772 IJMIZOSOPZNHLZ-UHFFFAOYSA-N 413.547 3.337 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC[C@@H](c3nc(-c4cccs4)no3)C2)cc1 1364426 PDZPSCXNKKDXNO-CYBMUJFWSA-N 405.501 3.375 0 40 HGAB O=C1C[C@@H](c2ccc(S(=O)(=O)NC(c3ccccc3)c3ccccc3)cc2)CN1 1444231 BSLHLAISEPEKCO-HXUWFJFHSA-N 406.507 3.358 0 40 HGAB CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 2640388 DDWRJXXSRUGOJI-CQSZACIVSA-N 424.432 3.069 0 40 HGAB O=C(COC(=O)c1ccccc1NC(=O)c1ccco1)Nc1ccc2c(c1)OCCO2 3245950 GBLJJFJUZPIPOJ-UHFFFAOYSA-N 422.393 3.099 0 40 HGAB COc1ccccc1-c1nnc(SCC(=O)Nc2ccc(C)cc2Cl)n1N 3283143 NYOQDSVZBZZICS-UHFFFAOYSA-N 403.895 3.360 0 40 HGAB O=C(Nc1ccc(I)cc1)c1ccc(N2C(=O)CCC2=O)cc1 3565663 ZEPXAKICWAICSQ-UHFFFAOYSA-N 420.206 3.197 0 40 HGAB CC(C)COC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OCC(C)C)[C@@H]1c1ccc(F)cc1 4127228 XPJNTNUMQIGRLO-URFJDIBFSA-N 422.493 3.264 0 40 HGAB Cc1cccc(NC(=O)C(=O)NCCc2csc3nc(-c4ccccc4C)nn23)c1 4375632 VMPYRSNUAJHFCT-UHFFFAOYSA-N 419.510 3.372 0 40 HGAB Cc1cc(C)cc(NC(=O)Cn2cnc3c(cnn3-c3cccc(Cl)c3)c2=O)c1 4479112 VKRZBOQUPIRTQC-UHFFFAOYSA-N 407.861 3.491 0 40 HGAB CC(C)CCNC(=O)COc1ccc(N(C)S(=O)(=O)c2ccc(F)cc2)cc1 4979947 OTPZKUAVNNPWSQ-UHFFFAOYSA-N 408.495 3.192 0 40 HGAB CCOc1ccc(N2C[C@H](NC(=O)NCCn3ccc4ccccc43)CC2=O)cc1 5087843 WNZAQPCZGBZSIS-GOSISDBHSA-N 406.486 3.145 0 40 HGAB O=C(CSc1nnnn1-c1ccc(OC(F)(F)F)cc1)N1CCCCCC1 5220118 XKYPFARNOVDLET-UHFFFAOYSA-N 401.414 3.056 0 40 HGAB CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(Br)cc2F)cc1 5678840 GLCNRRNCAVGATN-UHFFFAOYSA-N 401.257 3.091 0 40 HGAB CSc1ccccc1NC(=O)CN1C(=O)N[C@@](C)(c2cc(F)ccc2F)C1=O 5791849 LCOQHRQPQAXAIU-IBGZPJMESA-N 405.426 3.092 0 40 HGAB O=C(/C=C/c1cccc(F)c1)OCc1cc(=O)n2cc(Br)ccc2n1 6642728 JUEUZFYBDGVBOD-QPJJXVBHSA-N 403.207 3.353 0 40 HGAB O=C1S/C(=C\c2cccc(Cl)c2)C(=O)N1CC(=O)N1CCCC[C@H]1CCO 6660499 BCAHHIADUAEYGO-CNYBTUBUSA-N 408.907 3.140 0 40 HGAB CC(C)[C@H](NC(=O)N1CCn2c1nc1ccccc12)C(=O)NCc1ccc(F)cc1 6672077 DLQFGLGYKRRXFB-IBGZPJMESA-N 409.465 3.046 0 40 HGAB CCCOc1cccc(C(=O)N(Cc2cccc(F)c2)[C@@H]2CCS(=O)(=O)C2)c1 6810992 VELBJHJKIVDSSR-LJQANCHMSA-N 405.491 3.444 0 40 HGAB Cc1ccc(-n2c(C)cc(/C=C3/C(=O)NC(=O)N(c4cccnc4)C3=O)c2C)cc1 6966496 KASNJVYFTMOACW-NDENLUEZSA-N 400.438 3.464 0 40 HGAB CCCOc1ccc(C(=O)O[C@@H](C)C(=O)c2ccc(NS(C)(=O)=O)cc2)cc1 6981085 DOBMDOFGSYKEPA-AWEZNQCLSA-N 405.472 3.275 0 40 HGAB C[C@@H]1c2ccsc2CCN1C(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 7830048 KSGGHAZDIRGBEF-CQSZACIVSA-N 422.547 3.434 0 40 HGAB O=C(/C=C/c1ccccc1)OCC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 7979929 CTPDTOZKTWWRKZ-NTEUORMPSA-N 413.495 3.301 0 40 HGAB CC(C)Cn1nc(C(=O)Nc2ccccc2N2CCCC2=O)c2ccccc2c1=O 8427872 OCFBBBMSYBDOBR-UHFFFAOYSA-N 404.470 3.432 0 40 HGAB Cc1ccc(CN(C)C(=O)C2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)o1 8508165 GKJIKKSTIVEVMR-UHFFFAOYSA-N 404.532 3.264 0 40 HGAB CS(=O)(=O)c1ccc(Cl)c(NC(=O)COC(=O)c2ccc(F)cc2Cl)c1 9662488 DUZORCNZSQBWDB-UHFFFAOYSA-N 420.245 3.332 0 40 HGAB O=C(Cc1ccc2c(c1)OCO2)N1CCC[C@@H](c2ncncc2-c2ccncc2)C1 12088538 MFDYOFWHDBSTRA-GOSISDBHSA-N 402.454 3.216 0 40 HGAB O=C1[C@H]2CCCC[C@H]2C(=O)N1CCC(=O)N1CCCC[C@@H]1c1nc2ccccc2[nH]1 12116135 PUOHVUQNAOYZDQ-JTDSTZFVSA-N 408.502 3.182 0 40 HGAB CCOc1ncccc1C(=O)N1CCC[C@H](c2nc3ccc(F)cc3cc2C(N)=O)C1 12255960 VDXFLGSWKWZYSK-AWEZNQCLSA-N 422.460 3.286 0 40 HGAB O=c1[nH]c(-c2ccncc2)nc2c1CCN(Cc1ccccc1N1CCCCC1)C2 12666712 PMSFXIUNRSGOSH-UHFFFAOYSA-N 401.514 3.381 0 40 HGAB Cc1ccc(NC(=O)CN2CCN(C(=O)c3cccnc3SC(F)F)CC2)cc1 12764190 RFIYEOKTVJQEQK-UHFFFAOYSA-N 420.485 3.101 0 40 HGAB CCn1c(-c2ccc(C(C)(C)C)cc2)nn(CN(C)[C@@H]2CCS(=O)(=O)C2)c1=S 12931659 YLDSOANGKFKRKF-QGZVFWFLSA-N 422.620 3.475 0 40 HGAB COC(=O)c1sc(N)c(C(=O)OC)c1COc1ccc(F)c2c1C(=O)C[C@H]2C 12981362 YINRFGKWZRMNFV-MRVPVSSYSA-N 407.419 3.312 0 40 HGAB C[C@]1(CCc2ccc(OC(F)F)cc2)NC(=O)N(Cc2cn3ccccc3n2)C1=O 13059642 DAIOVZFXSGTTNF-OAQYLSRUSA-N 414.412 3.379 0 40 HGAB C[C@H]1C[C@H](C)CN([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)C1 13062939 WOVUWEXTIHITJF-BZSNNMDCSA-N 407.580 3.166 0 40 HGAB COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc2c(c1)N(C(=O)C1CC1)CC2 13696994 INPFGBGPUGDWAJ-UHFFFAOYSA-N 406.891 3.449 0 40 HGAB C[C@@H](C(=O)OCc1cc(=O)oc2cc3c(cc12)CCC3)n1c(=O)oc2ccccc21 14164578 CCLDXAMAPGUYFB-ZDUSSCGKSA-N 405.406 3.494 0 40 HGAB Cc1[nH]o/c(=N/S(=O)(=O)c2ccc(NC(=O)c3cc4c(s3)CCC4)cc2)c1C 14169230 XSZRZMCWBQFPDK-ZBJSNUHESA-N 417.512 3.317 0 40 HGAB Cn1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)c2ccccc21 14938332 VOPGWGWMCKWECY-UHFFFAOYSA-N 423.947 3.040 0 40 HGAB C[C@H](NC(=O)[C@@H](C)N1CCC(C(=O)Nc2ccccc2O)CC1)c1ccc(F)cc1 15043762 YHUZNBCTZHINTR-JKSUJKDBSA-N 413.493 3.448 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc4c(c3)CCC4)CC2)cc1 15922721 OYCMJDOGMFIWPZ-UHFFFAOYSA-N 414.527 3.223 0 40 HGAB O=C(CSc1nnnn1C[C@H]1CCCO1)Nc1ccc(Oc2ccccc2)cc1 16409662 CEIAPGSDLCNCLM-GOSISDBHSA-N 411.487 3.375 0 40 HGAB O=C(Nc1nccs1)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 16641287 TUIHYLUUCIMKHY-UHFFFAOYSA-N 405.545 3.061 0 40 HGAB CCOc1ccc(NC(=O)CCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 16959388 YYWFTLZFXBDUJT-UHFFFAOYSA-N 402.516 3.441 0 40 HGAB CC(C)CCC[C@@H](C)NC(=O)COC(=O)Cn1cnc2c(oc3ccccc32)c1=O 19197027 HHGBCEDGRUQZMK-OAHLLOKOSA-N 413.474 3.017 0 40 HGAB Cc1ccccc1C1=NO[C@@H](CC2(C(=O)NCCCn3ccnc3)CCOCC2)C1 19236963 HATZNPZWPDWHFH-LJQANCHMSA-N 410.518 3.078 0 40 HGAB CC1(C)Cc2nc(-c3cnccn3)ncc2[C@H](NC(=O)COc2ccc(F)cc2)C1 19461629 KAZPWAJKVHTJNG-QGZVFWFLSA-N 407.449 3.281 0 40 HGAB CC[C@@H]1Oc2ccc(C(=O)c3ccco3)cc2N(CC(=O)NCc2ccccc2)C1=O 19500848 SVNMSOOGPGCGCK-IBGZPJMESA-N 418.449 3.331 0 40 HGAB COCc1ccc(OC)c(CN2CCC[C@@H](c3nc(-c4ccncc4)cc(=O)[nH]3)C2)c1 19594344 VIXYKVPUZMUGON-LJQANCHMSA-N 420.513 3.367 0 40 HGAB C[C@H]1Oc2ccc(NC(=O)CCCc3nc(-c4ccccc4)no3)cc2N(C)C1=O 19658257 DEISPNBCQFXOBA-CQSZACIVSA-N 406.442 3.442 0 40 HGAB CNc1cc(C(=O)N2CCO[C@H](c3ccc(Cc4ccc(F)cc4)cn3)C2)ccn1 19692239 AIQFZHYXCVKJAI-NRFANRHFSA-N 406.461 3.462 0 40 HGAB O=S(=O)(N[C@@H](CCN1CCCCC1)c1ccccc1)c1ccc2oc(O)nc2c1 19716055 GBGNSZUPXFQMGN-SFHVURJKSA-N 415.515 3.429 0 40 HGAB Cc1cc(C)c(NC(=O)c2ccc(CS(=O)(=O)N3CCOCC3)cc2)c(C)c1 20491405 LPDDHAXQSQEUDT-UHFFFAOYSA-N 402.516 3.026 0 40 HGAB O=C(NCC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccccc1 21004340 OYRNHWXSAYVNOP-UHFFFAOYSA-N 413.521 3.350 0 40 HGAB C[C@@H](NC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)c1ccccc1F 21917137 LCNJXQBWDVWNLN-CQSZACIVSA-N 402.447 3.388 0 40 HGAB CC[C@H](NC(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O)c1ccc(C)c(C)c1 22332771 HAHVXTSUDBLPLT-FQEVSTJZSA-N 404.532 3.346 0 40 HGAB C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)N1CCN(CC(=O)Nc2ccccc2Cl)CC1 22783015 VYYSZMUBFPPVGD-KZNAEPCWSA-N 420.985 3.074 0 40 HGAB CCc1nc2sc([C@@H](c3ccccc3F)N3CCC(C(=O)OC)CC3)c(O)n2n1 22853618 ITCXVQBXZMPUDN-MRXNPFEDSA-N 418.494 3.172 0 40 HGAB COC(=O)c1ccc(OC(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)c(OC)c1 23995647 WTGMMGOYFAFHPR-CYBMUJFWSA-N 403.818 3.094 0 40 HGAB COc1ccc(C(=O)CCC(=O)N[C@@H](C)c2ccc(-n3cncn3)cc2)cc1OC 28668398 HLKWRVAPMDFDLY-HNNXBMFYSA-N 408.458 3.125 0 40 HGAB CC(C)c1ccc([C@@H](NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c(=O)c3c2)C(C)C)cc1 32759195 HZRRPQBNAWKUIO-IBGZPJMESA-N 415.515 3.015 0 40 HGAB C[C@H](Sc1nnc(SCC(N)=O)s1)C(=O)Nc1ccc(F)c(Cl)c1 32776144 WVTNVDHTDJLACW-LURJTMIESA-N 406.917 3.027 0 40 HGAB O=C(NCc1ccccc1Cn1cccn1)[C@@H]1CCCCN1C(=O)c1cccs1 32908422 XIGBWGIZJIDOHD-IBGZPJMESA-N 408.527 3.304 0 40 HGAB CCCn1c(C)cc(C(=O)CSc2nc3cc(S(N)(=O)=O)ccc3n2C)c1C 32946653 MCBMTLNZZNUSJO-UHFFFAOYSA-N 420.560 3.024 0 40 HGAB Cc1cc2nc(C)c(CCC(=O)N3CCC(C(=O)c4ccc(O)cc4)CC3)c(C)n2n1 36395698 IEDAMMJLHOYUIJ-UHFFFAOYSA-N 420.513 3.414 0 40 HGAB Cc1cc(C)n(C[C@H](C)CNS(=O)(=O)c2cc(C(=O)O)c(Cl)cc2Cl)n1 36614980 MCKITASBORUIHL-SECBINFHSA-N 420.318 3.120 0 40 HGAB O=C(NCc1ccco1)c1ccccc1NC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 39522721 WWALFSYUGVQEPT-GOSISDBHSA-N 417.465 3.197 0 40 HGAB Cc1noc(CSc2ccc(C(=O)N3CCN(C(=O)c4ccccc4)CC3)cc2)n1 40050856 GFLBWSWSBHERJV-UHFFFAOYSA-N 422.510 3.269 0 40 HGAB CCn1c(=O)c(C)nc2cc(C(=O)N3CCC[C@@H]3c3nnc4n3CCCCC4)ccc21 40080292 ALCPZXUKVWHLMV-LJQANCHMSA-N 420.517 3.020 0 40 HGAB Cn1c(C(=O)NCCCN2CCCCCC2=O)c(Br)c2ccccc21 48263045 PROKPQPGWHNATG-UHFFFAOYSA-N 406.324 3.463 0 40 HGAB Cc1nnnn1[C@@H](Cc1ccc(F)cc1)C(=O)N1CCC(Cc2ccccc2)CC1 48355835 VPTSTPCZCMYDGZ-QFIPXVFZSA-N 407.493 3.386 0 40 HGAB Cn1ccnc1[C@H](NC(=O)NC1CCN(Cc2ccccc2)CC1)c1ccccc1 55044129 MYBIUEVTKKGSLP-JOCHJYFZSA-N 403.530 3.473 0 40 HGAB O=C(CCn1c(=O)oc2cc(Cl)ccc21)Nc1cc2c(cc1Cl)NC(=O)CO2 58393457 OFTCFPTYQHFAKI-UHFFFAOYSA-N 422.224 3.261 0 40 HGAB Cc1nn(C)c2[nH]c(=O)c(CCC(=O)NCCc3ccc(Cl)cc3Cl)c(C)c12 58441159 WOZJQLZTRHLUFQ-UHFFFAOYSA-N 421.328 3.477 0 40 HGAB O=C(NNc1nc(-c2ccncc2)no1)C1(c2ccc(Br)cc2)CC1 60362588 MQSBLOIYFFMOHY-UHFFFAOYSA-N 400.236 3.069 0 40 HGAB NC(=O)C1(CNC(=O)c2csc(-c3ccc(Cl)c(Cl)c3)n2)CCOCC1 65843896 KVGJPYCSCKVSBC-UHFFFAOYSA-N 414.314 3.129 0 40 HGAB CCCCn1c(SCC(=O)NCc2ccc(F)cc2)nc2cc(C)[nH]c2c1=O 67238457 NSASNXJBANSCFA-UHFFFAOYSA-N 402.495 3.381 0 40 HGAB Cc1nc(-c2cccc(F)c2)n(CC(=O)Nc2ccc3c(c2)CCC3)c(=O)c1CCO 67316896 NMUSCCVDLYSRTF-UHFFFAOYSA-N 421.472 3.020 0 40 HGAB CCOC(=O)C[C@@H](c1ccc(-c2ccccc2F)o1)c1oc(CO)cc(=O)c1O 71279408 WIMCCKJYTUKDFA-AWEZNQCLSA-N 402.374 3.322 0 40 HGAB Cn1nc(C(C)(C)C)cc1C(=O)N1CCC2(CC1)C[C@](O)(c1ccc(F)cc1)CO2 72335658 SYLWHFKQAZBHQE-HSZRJFAPSA-N 415.509 3.140 0 40 HGAB Cn1cnc(S(=O)(=O)N2CCC[C@H]2c2cccc(Cc3ccccc3F)n2)c1 72358245 INQPHGZVYVBDGT-IBGZPJMESA-N 400.479 3.071 0 40 HGAB COc1cccc2c1ccn2CC(=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 72402465 MUGDKCQJKKRHPG-UHFFFAOYSA-N 418.419 3.413 0 40 HGAB Cc1c(I)cc(/C=C/C(=O)O)cc1I 83296681 ZVIFFNXKBPCMAS-NSCUHMNNSA-N 413.980 3.302 0 40 HGAB NC(=O)c1ccccc1NC(=O)CN(Cc1cccc(-c2cccnc2)c1)C1CC1 89809577 PRFQUASOQIMPCI-UHFFFAOYSA-N 400.482 3.451 0 40 HGAB CCN(C[C@H](CC(C)C)NC(=O)Cc1cccc(O)c1)C(=O)Cc1cccc(O)c1 95436797 XVJZELDYPQFZMV-FQEVSTJZSA-N 412.530 3.262 0 40 HGAB CC(C)CN1Cc2c(C(=O)N(C)c3ccccc3)ncn2-c2ccccc2S1(=O)=O 96147393 PEJFYLAWIDCOAS-UHFFFAOYSA-N 424.526 3.309 0 40 HGAB CN(C)[C@@H]1CCN(C(=O)c2cnc(-c3noc4cc(N5CCCC5)ccc34)s2)C1 96154561 LLPKYXBEAOCCON-OAHLLOKOSA-N 411.531 3.328 0 40 HGAB COc1ccc(NC(=O)C2=NO[C@]3(CCCN(C(=O)c4ccccc4F)C3)C2)cc1 96225154 GECLSKFQLONHEA-JOCHJYFZSA-N 411.433 3.224 0 40 HGAB CC(C)C(=O)Nc1ccc2[nH]cc([C@@H](C(=O)O)N3CCN(c4ccccn4)CC3)c2c1 96736400 AOOMQJJGEZWGER-NRFANRHFSA-N 421.501 3.105 0 40 HGAB O=c1c([C@@H]2NCCc3c2[nH]c2ccccc32)c(O)[nH]c(=S)n1-c1ccc(F)cc1 100751532 YIABZRVLXBZQQX-SFHVURJKSA-N 408.458 3.456 0 40 HGAB biogenic O=C(Cn1cnc2ccccc21)N1[C@H]2CC[C@H]1CC(S(=O)(=O)c1ccccc1)C2 101119831 ZWOUYNQAUQMNEU-IRXDYDNUSA-N 409.511 3.032 0 40 HGAB O=C(CCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)Nc1ccc2c(c1)C(=O)c1ccccc1-2 101420366 IPFAYVVKSVPDHP-WJWAULOUSA-N 412.445 3.034 0 40 HGAB CCOC(=O)[C@H]1S[C@@]2(C(F)F)C[C@@]1(O)c1c(c(OC)c3occc3c1OC)O2 102665215 UVSRNJPOKWRXBT-ZTFGCOKTSA-N 416.398 3.060 0 40 HGAB biogenic O=C(CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)N(CCc1ccccc1)Cc1cccs1 103413946 LAGKYQWUDSHRNK-BGYRXZFFSA-N 408.523 3.271 0 40 HGAB CC[C@@H](C(=O)NCc1ccccc1Cl)N(c1cccc(OC)c1)S(C)(=O)=O 220621291 FMONMPMPXUCBLA-SFHVURJKSA-N 410.923 3.210 0 40 HGAB COCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1 222841636 DELUTPDAHYXGSH-KRWDZBQOSA-N 402.922 3.453 0 40 HGAB CCOc1ccc(-c2noc(CNS(=O)(=O)Cc3cccc(Cl)c3)n2)cc1 223628584 LMYZZTQACKAZQR-UHFFFAOYSA-N 407.879 3.408 0 40 HGAB COC(=O)c1cccc(S(=O)(=O)Nc2ccccc2C(=O)N2CCCCCC2)c1 223794230 BJPHRRODYWAEJH-UHFFFAOYSA-N 416.499 3.290 0 40 HGAB Cc1ccc(OCCNC(=O)[C@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)cc1C 224010213 CJFRLKYSXTXBMY-INIZCTEOSA-N 424.950 3.307 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)N1CCC[C@H](C)C1 224030722 HFOQBAGKKWKHJM-KRWDZBQOSA-N 408.564 3.061 0 40 HGAB Cc1cccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3ccccc3C(N)=O)c2)c1 224141711 SBYDBJNQJRVGDG-UHFFFAOYSA-N 423.494 3.171 0 40 HGAB CC[C@H](C(=O)NCCOc1ccc(C)cc1C)N(c1ccc(C)cc1)S(C)(=O)=O 224304896 VMRDXWDNALZIET-HXUWFJFHSA-N 418.559 3.352 0 40 HGAB COC(=O)c1cc(S(=O)(=O)Nc2nnc(SCC(C)C)s2)ccc1C 225004603 BXFJCLQXYCEHLK-UHFFFAOYSA-N 401.535 3.182 0 40 HGAB CC[C@H](C(=O)Nc1nnc(SC)s1)N(c1cc(C)cc(C)c1)S(C)(=O)=O 225299379 VOWSFNHVXJFVLZ-CYBMUJFWSA-N 414.578 3.060 0 40 HGAB COC(=O)Nc1ccc(S(=O)(=O)NCc2ccnc(-c3cccs3)c2)cc1 225653395 OZSKWCHYTUSSLM-UHFFFAOYSA-N 403.485 3.467 0 40 HGAB Cc1cc(NCN2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@@H]3C2=O)[C@@H]2C[C@H]42)cc(C)c1Br 226388909 ADAGSCDZPVUSQZ-FFRIZKCHSA-N 401.304 3.488 0 40 HGAB CCCOc1ccc(C=c2sc3nc(-c4ccc(OC)c(OC)c4)nn3c2=O)cc1 254838108 IFCWTBVJNDMUSA-UHFFFAOYSA-N 423.494 3.172 0 40 HGAB CC(=O)N1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)c1cncnc1 257247589 IZPHXOYDKAYNMG-ACUMWEPGSA-N 418.541 3.482 0 40 HGAB CN1CCN(Cc2cccnc2)C[C@@H]1c1nnn2cc(-c3cccc(F)c3)ccc12 306140968 VHUNQMRZAVESAX-JOCHJYFZSA-N 402.477 3.419 0 40 HGAB COC(=O)c1cncc(C(=O)N[C@H](c2ccc(F)c(F)c2)C(C)(C)N2CCCC2)c1 548601891 DZWPMYJSDJMWNI-LJQANCHMSA-N 417.456 3.492 0 40 HGAB C[C@]1(c2cccc(C(=O)N3C[C@H](c4ccccc4)[C@@H]4CCC[C@H]43)c2)NC(=O)NC1=O 553296750 OZNQJQIIBQFNOP-UECWXEIQSA-N 403.482 3.150 0 40 HGAB Cc1nc(Nc2nncs2)cc([C@@H]2CCCN(C(=O)/C=C/c3ccccc3)C2)n1 585291361 BLWIHISPVPMSJT-OAGJVSPASA-N 406.515 3.800 0 40 HGAB COc1ccc([C@@H](C)NC(=O)c2c(Br)nc3n2CCC3)c(C)c1OC 1556843728 WAVYAEPUJJCJCE-LLVKDONJSA-N 408.296 3.408 0 40 HGAB CC[C@@H]1Oc2cc([C@@H](C)NC(=O)N3CC(=O)Nc4ccccc4C3)ccc2NC1=O 1678256676 AWLSQMOVJITSRV-ACJLOTCBSA-N 408.458 3.021 0 40 HGAB Cc1cnc(OC[C@@]23CCC[C@H]2CN(C(=O)c2cc(-c4cccnc4)on2)C3)nc1 1888904137 AIWLGOOPWYUHDH-JTSKRJEESA-N 405.458 3.156 0 40 HGAB Cc1cc(C(=O)N2CCC(c3ccc4cc(-c5cncnc5)cnc4n3)CC2)no1 1891473961 CWUOFELETKUCTE-UHFFFAOYSA-N 400.442 3.403 0 40 HGAB CCC(CC)C(=O)N1CCC[C@](COc2ccccc2)(CC(=O)N2CCOCC2)C1 2037905457 KNMMZTDDYFKTCS-DEOSSOPVSA-N 416.562 3.359 0 40 HGAB O=C(CCn1nc(-c2ccc(Cl)cc2)ccc1=O)N1CCN(c2ccccc2)CC1 3006269 BKJQBIOQCPRKDY-UHFFFAOYSA-N 422.916 3.303 0 40 HGAB Cc1ccccc1NC(=O)COC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O 3373219 AYGHLHXHVMFGFP-UHFFFAOYSA-N 418.405 3.180 0 40 HGAB O=C(COC(=O)CCN1C(=O)c2ccccc2C1=O)Nc1ccc2ccccc2c1 3442787 QFOGTSLIUSFZSV-UHFFFAOYSA-N 402.406 3.008 0 40 HGAB COC[C@H](C)n1c(SCC(=O)Nc2ccc(Cl)cn2)nc2ccccc2c1=O 3590395 SULATZSWARWHOO-LBPRGKRZSA-N 418.906 3.383 0 40 HGAB O=C(Cn1nnc(-c2ccccc2NC(=O)c2cccc(F)c2)n1)NC1CCCCC1 4217956 DOUHSDJBPPDXOH-UHFFFAOYSA-N 422.464 3.180 0 40 HGAB COc1ccc2[nH]c(=O)c(CN(CCN(C)C)C(=O)Nc3ccccc3OC)cc2c1 4231280 GXTCITHKGUOFHQ-UHFFFAOYSA-N 424.501 3.141 0 40 HGAB COc1ccc(Cc2nnc(SCC(=O)Nc3ccc(F)cc3)nc2O)cc1 4317385 GCRALXFNWNDQSG-UHFFFAOYSA-N 400.435 3.047 0 40 HGAB O=C(O)[C@@H]1CCCN1C1(c2nnnn2-c2ccc(Br)cc2)CCCCC1 4604018 GQTLSHDMQBYULM-HNNXBMFYSA-N 420.311 3.133 0 40 HGAB COc1cc(C(=O)NC(=S)NC23CC4CC(CC(C4)C2)C3)cc(OC)c1OC 4664837 WMWDXPBGDYFKRA-UHFFFAOYSA-N 404.532 3.286 0 40 HGAB O=C(CN1CCC(n2nnc3cc(C(F)(F)F)ccc32)CC1)NCc1ccccc1 4895223 YNANTCAXVDJYQY-UHFFFAOYSA-N 417.435 3.403 0 40 HGAB CSCc1nc2sc(C(=O)NCCOc3ccc(C)cc3)c(C)c2c(=O)[nH]1 5266098 GQNIRIVHLQMANS-UHFFFAOYSA-N 403.529 3.273 0 40 HGAB CCN(CC)C(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 6800784 XXFOAWRTMUGZNU-UHFFFAOYSA-N 404.488 3.131 0 40 HGAB CCCn1c(=O)n(C)c(=O)c2c(SCc3c(C)noc3C)nc(C(C)(C)C)nc21 6944833 MDJDMDXLFWSVGF-UHFFFAOYSA-N 417.535 3.095 0 40 HGAB Cc1noc(C)c1CSCC(=O)OCc1cc(=O)n2c(n1)sc1ccccc12 7982355 NPCWBOZYFAPYFB-UHFFFAOYSA-N 415.496 3.491 0 40 HGAB Cc1ccccc1NC(=O)COC(=O)[C@@H](CC(C)C)N1C(=O)c2ccccc2C1=O 8283641 XMRMKEFIYXMWRD-LJQANCHMSA-N 408.454 3.188 0 40 HGAB O=C(Cc1c[nH]c2ccccc12)Nc1ccc(S(=O)(=O)NCc2ccco2)cc1 8291283 YRKPVKJVOIQJIV-UHFFFAOYSA-N 409.467 3.421 0 40 HGAB O=C(CN1CCC[C@H]1c1ccc2c(c1)OCCCO2)N1CCN(c2ccccc2)CC1 8310466 SFRMSASJAZHTFI-QFIPXVFZSA-N 421.541 3.334 0 40 HGAB O=C(COC(=O)CCCCCN1C(=O)c2ccccc2C1=O)Nc1ccc(F)cc1 8410575 KUURWLXGHHNFCZ-UHFFFAOYSA-N 412.417 3.164 0 40 HGAB Cc1cccc(C(C)C)c1NC(=O)COC(=O)CCN1C(=O)c2ccccc2C1=O 8667836 FUVICZCHPCJVHG-UHFFFAOYSA-N 408.454 3.286 0 40 HGAB Cc1nc2c(=O)n(CC(=O)NCc3ccco3)nc(-c3ccc(Cl)cc3)c2s1 8955263 ITBDGCFSWRWBID-UHFFFAOYSA-N 414.874 3.391 0 40 HGAB CCCNS(=O)(=O)c1cc(C(=O)N[C@@H](C)CCc2ccccc2)ccc1OC 9063928 XFJLUAMOKSKRDC-INIZCTEOSA-N 404.532 3.135 0 40 HGAB CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)NCc1ccco1 9217574 GMXHHYIQIYIBAP-HNNXBMFYSA-N 405.303 3.206 0 40 HGAB CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)Nc2cc(C)nn2-c2ccccc2)c1C 9579991 AMYDQONUCIVHII-UHFFFAOYSA-N 424.457 3.098 0 40 HGAB CN(C)S(=O)(=O)N(C)c1ccc(C(=O)Nc2c(Cl)cccc2Cl)cc1 9694896 YZOYHNBUGJGYSX-UHFFFAOYSA-N 402.303 3.488 0 40 HGAB CCNC(=O)CN(Cc1c(F)cccc1Cl)S(=O)(=O)c1ccc(Cl)cc1 9720592 SEFJCNOHLOAZSB-UHFFFAOYSA-N 419.305 3.460 0 40 HGAB CC1(C)CC(=O)c2sc(NC(=O)CCCS(=O)(=O)c3ccccc3)nc2C1 10218245 UXUSDASOMMYXRL-UHFFFAOYSA-N 406.529 3.491 0 40 HGAB CCCn1c(NC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)nc2ccccc21 10652684 FFLAQKORFBGYRV-UHFFFAOYSA-N 400.504 3.014 0 40 HGAB CCOc1ccc([C@@H](C)NS(=O)(=O)c2ccc3c(c2)CCCN3C(C)=O)cc1 10675505 LLSKORQFDLXLDY-OAHLLOKOSA-N 402.516 3.424 0 40 HGAB O=C1N[C@H](c2cccc(O)c2)[C@@H](C(=O)c2ccc(Cl)cc2)[C@@](O)(C(F)(F)F)N1 11614592 RDQLJCDEPOORFC-JJRVBVJISA-N 414.767 3.150 0 40 HGAB COc1ccc([C@@H]2[C@H](C(=O)Nc3ccccc3C)[C@@H](C)Nc3ncnn32)cc1OC 11694820 XUFOALZMZUVPPH-JSNMRZPZSA-N 407.474 3.262 0 40 HGAB Cn1cc(CN2CCC([C@H]3Nc4ccccc4S(=O)(=O)N3)CC2)c2ccccc21 12089483 UPHNNMSMLDHJFO-QFIPXVFZSA-N 410.543 3.120 0 40 HGAB COC(=O)c1ccccc1NS(=O)(=O)c1c(F)cc(F)cc1Br 12605810 LQTKETOBGZFGQZ-UHFFFAOYSA-N 406.204 3.315 0 40 HGAB Cc1ccc(NC(=O)NC(=O)[C@@H](C)N(C)CC(=O)Nc2cccc(F)c2)c(C)c1 12870910 AVKXRFMSOHZIPE-OAHLLOKOSA-N 400.454 3.050 0 40 HGAB COc1ccc(Cl)cc1NC(=O)CN1CCCN(C(=O)c2ccc(F)cc2)CC1 12924492 IEQHQSOBBOWGKA-UHFFFAOYSA-N 419.884 3.274 0 40 HGAB CCc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cc(F)ccc3OC)C2)cc1 13580631 IOSRIOYOUGOHEQ-INIZCTEOSA-N 420.506 3.436 0 40 HGAB Cc1c(C)n(CC(C)C)c2ncn3nc(CCN4C(=O)c5ccccc5C4=O)nc3c12 13625033 NINNOCLVBBCLDC-UHFFFAOYSA-N 416.485 3.191 0 40 HGAB C[C@H](C(=O)Nc1ccc(Br)cc1Cl)N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O 13856031 LWNFBBHZXRVXCF-TZDNBKRZSA-N 423.694 3.237 0 40 HGAB O=C(Nc1ccc2c(c1)OC(F)(F)O2)c1cccc(S(=O)(=O)N2CCCCC2)c1 16103828 STPOQBHVWYAWIA-UHFFFAOYSA-N 424.425 3.435 0 40 HGAB NC(=O)c1c(NC(=S)NC(=O)c2ccc(Br)cc2)sc2c1CCC2 16400842 HNWMSXRBQOPCPF-UHFFFAOYSA-N 424.345 3.225 0 40 HGAB CC(C)CC(=O)N1CCO[C@](Cc2ccc(-c3cccnc3)cc2)(C(=O)N(C)C)C1 19446499 UXPVEEPJBIBTKT-DEOSSOPVSA-N 409.530 3.023 0 40 HGAB CC[C@H](C)C(=O)N1CC[C@H](c2nc(O)c3c(n2)CN(Cc2ccc(OC)cc2)CC3)C1 19499773 YHSFSNKPAFHTEL-WMZOPIPTSA-N 424.545 3.111 0 40 HGAB COc1ccc(OC)c(NC(=O)c2nnn(-c3ccc(OC(F)F)cc3)c2C)c1 19911313 UPEXMXAZNFGAQF-UHFFFAOYSA-N 404.373 3.447 0 40 HGAB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1c(C)cc(C)cc1C 19931260 ADUQMHKYLDAWJD-UYAOXDASSA-N 402.560 3.416 0 40 HGAB CCOc1cc(CN2CCN(Cc3cccc(OC)c3OC)CC2)ccc1OC 19972665 QRJBETQPSFLAPN-UHFFFAOYSA-N 400.519 3.429 0 40 HGAB Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccccc1)N(CCCN1CCOCC1)C3=O 20308586 JUQUHVBYPKWHNK-JOCHJYFZSA-N 418.493 3.369 0 40 HGAB COc1ccc(SCC(=O)Nc2cc(S(=O)(=O)NC(C)C)ccc2OC)cc1 20456260 OWIKKNZHFAZHFZ-UHFFFAOYSA-N 424.544 3.121 0 40 HGAB CCN(CC)C(=O)c1cc(=O)n(CC(=O)Nc2cc(F)ccc2F)c2ccccc12 20608584 PAHDCCVWSFPWDJ-UHFFFAOYSA-N 413.424 3.400 0 40 HGAB CCCCCNC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(OCC)cc1 22271708 MEJBSXDXNCWLMK-OAQYLSRUSA-N 418.559 3.281 0 40 HGAB O=C(CN1CCOCC1)Nc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1 22384097 APMJTSYCKFEHHF-UHFFFAOYSA-N 407.392 3.228 0 40 HGAB COc1ccc(C)cc1NC(=O)[C@H](c1ccccc1)N1CCN(C[C@@H]2CCCO2)CC1 22799454 NNXKJOGRRFBOQO-URXFXBBRSA-N 423.557 3.480 0 40 HGAB CCCn1c(=O)[nH]c(=O)c2c(C(=O)Nc3ccccc3OCC)cc(C(C)C)nc21 24442980 HMVZVUDQWCLMDE-UHFFFAOYSA-N 410.474 3.269 0 40 HGAB Cc1csc(NC(=O)COC(=O)c2ccccc2NC(=O)Cc2ccccc2)n1 26004837 VKXNXUMKGANOAW-UHFFFAOYSA-N 409.467 3.428 0 40 HGAB CN(C[C@@H]1COc2ccccc2O1)C(=O)CSc1nc(-c2ccccc2F)n[nH]1 27440155 QDPAOHGAUCPOQH-CYBMUJFWSA-N 414.462 3.001 0 40 HGAB CCOC(=O)c1ccccc1NC(=O)CSc1nc2ccsc2c(=O)n1CC 27819268 APJADRQTDSJLAA-UHFFFAOYSA-N 417.512 3.385 0 40 HGAB CCOC(=O)Cc1csc(NC(=O)c2ccc(CN3C[C@@H](C)O[C@H](C)C3)cc2)n1 28930993 MCJBIURNGFHZNO-HUUCEWRRSA-N 417.531 3.110 0 40 HGAB COc1cc(C(=O)Nc2ccc(NC(=O)[C@H]3CCCO3)cc2)cc(OC)c1OC 30175739 VYWRDHWFIOOGAU-MRXNPFEDSA-N 400.431 3.082 0 40 HGAB COc1ccc(CCN(C)C(=O)[C@H]2CC(=O)N(Cc3ccc(C)cc3)C2)cc1OC 30863471 CDQMNYWWOIZLEF-FQEVSTJZSA-N 410.514 3.062 0 40 HGAB COC(=O)c1c(COC(=O)CCNC(=O)c2ccsc2)nc2ccccc2c1C 30911026 RERCSCYSTKUQHL-UHFFFAOYSA-N 412.467 3.255 0 40 HGAB CC(=O)c1c(C)[nH]c(C(=O)CN2CCN(C(=O)c3ccccc3Cl)CC2)c1C 35267993 DMQDUMUGHTUQKX-UHFFFAOYSA-N 401.894 3.128 0 40 HGAB CC(=O)N1CCCN(CC(=O)Nc2nc(-c3cc(C)c(C)cc3C)cs2)CC1 40033485 BNXOCTFYQOYNTI-UHFFFAOYSA-N 400.548 3.228 0 40 HGAB CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1cccc(NC(=O)C2CC2)c1 40059976 QXHKOPQMGFBAJR-NRFANRHFSA-N 404.470 3.202 0 40 HGAB C[C@@H](Cc1ccccc1Cl)NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccccc1 40112010 UBJUQZFKEQFWFY-HNAYVOBHSA-N 406.935 3.241 0 40 HGAB CCn1c(SCc2cc(=O)n3nc(C)sc3n2)nnc1-c1ccccc1OC 40119298 SAUQTWAPCLFCBG-UHFFFAOYSA-N 414.516 3.039 0 40 HGAB O=C(NCc1ccccc1)c1cc(C(F)(F)F)cc(C(=O)NCc2ccccn2)n1 43804539 YRWLLWLEEYDLNU-UHFFFAOYSA-N 414.387 3.355 0 40 HGAB CCOC(=O)c1ccc(NC(=O)CSCc2nc3sc(C)cc3c(=O)[nH]2)cc1 44892247 BWSFWOUNVDEKCL-UHFFFAOYSA-N 417.512 3.342 0 40 HGAB O=C(CNc1cccc(OC(F)(F)F)c1)N1CCN(C(=O)c2cccs2)CC1 48333945 GFBMJANRDZIKOC-UHFFFAOYSA-N 413.421 3.043 0 40 HGAB Cc1cc(C)cc(N(C)C(=O)C2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)c1 55898200 VCRXRECJQDDQTQ-UHFFFAOYSA-N 411.527 3.127 0 40 HGAB CN(C(=O)Cn1c(=O)n(Cc2ccc(F)cc2)c(=O)c2sccc21)c1ccccc1 57426512 KMYJHQGPVJFUTA-UHFFFAOYSA-N 423.469 3.075 0 40 HGAB CC(C)Cn1c(=O)c2sccc2n(CC(=O)N(C)c2cccc(Cl)c2)c1=O 57486102 CXLKAPQUQPNRJW-UHFFFAOYSA-N 405.907 3.197 0 40 HGAB Cc1ccc(C)c(NC(=O)CSc2ncnc3nc(N4CCOCC4)sc23)c1 57507001 TXCXMUBTERAKRC-UHFFFAOYSA-N 415.544 3.271 0 40 HGAB Nc1nc(CN2CCC[C@H]2c2ccc3c(c2)OCCO3)nc(Nc2ccccc2)n1 57891741 GZIXLNKHKDWYJB-KRWDZBQOSA-N 404.474 3.306 0 40 HGAB CSc1nnnn1-c1cccc(NC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)c1 58095352 KDLOMEFXNTXNAF-QGZVFWFLSA-N 414.466 3.129 0 40 HGAB COC(=O)Nc1ccc(NC(=O)C[C@@](O)(c2nc(C)cs2)C(F)(F)F)cc1 65474886 WWAYBXRKUIBZFH-OAHLLOKOSA-N 403.382 3.409 0 40 HGAB Cc1ccc2cccc(NC(=O)Cn3c(CS(C)(=O)=O)nc4ccccc43)c2n1 72090926 CXCKZBLMDPYNTF-UHFFFAOYSA-N 408.483 3.076 0 40 HGAB CCOCCN1CCN(C(=O)Nc2cccc(C(=O)Nc3cccc(F)c3)c2)CC1 72277986 ZDOCMHCIMJCZSG-UHFFFAOYSA-N 414.481 3.264 0 40 HGAB Cc1nc2ccc(F)cc2c(=O)n1CC(=O)NCCc1nc(-c2ccccc2)cs1 95477305 WIXUBDOMURTIIL-UHFFFAOYSA-N 422.485 3.326 0 40 HGAB COc1ccc(Cl)cc1C(=O)N1CCC(C(=O)N[C@@H]2[C@@H](C)[C@@H](OC)C2(C)C)CC1 95987277 FJNRAHKVZOHSGJ-UPRAQXHNSA-N 422.953 3.377 0 40 HGAB Cn1cc([C@H](O)CNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)c2ccccc21 96096516 JRGZGSHDOUSAFV-QGZVFWFLSA-N 414.405 3.089 0 40 HGAB O=C(CSc1nc2ccccc2s1)N1CC(S(=O)(=O)c2ccc(F)cc2)C1 96104296 QPGRRXYUACDHKU-UHFFFAOYSA-N 422.528 3.212 0 40 HGAB C[C@@H]1CN(C(=O)c2cc(-c3cnc(NCc4ccccc4)nc3)cn2C)C[C@@H](C)O1 96266351 XVEROEZTFDHZLP-IAGOWNOFSA-N 405.502 3.344 0 40 HGAB Cc1ccc(C)c(N2C(=O)C[C@H](c3c(C)nn(-c4nc5ccccc5[nH]4)c3O)C2=O)c1 100069154 PYYDSXDPMDFYTH-OAHLLOKOSA-N 415.453 3.427 0 40 HGAB N=C1C(c2nc(-c3ccc(Cl)cc3)cs2)=C(O)CN1[C@@H]1CCS(=O)(=O)C1 102722091 APYGNJRZAQHGPD-GFCCVEGCSA-N 409.920 3.213 0 40 HGAB COC(=O)c1cccc(NC(=O)CCCN(c2ccc(Cl)cc2)S(C)(=O)=O)c1 113955655 LFDJVFSUTKZLEG-UHFFFAOYSA-N 424.906 3.312 0 40 HGAB CCOc1cccc2sc(NC(=O)CN3C(=O)N(C)C4(CCCCC4)C3=O)nc12 141560344 VUFATBFFIWBOSD-UHFFFAOYSA-N 416.503 3.230 0 40 HGAB Cc1cccc(CSCCNC(=O)[C@H](C)N(c2ccccc2F)S(C)(=O)=O)c1 220302113 GLMAKJSFBUKHEU-INIZCTEOSA-N 424.563 3.338 0 40 HGAB CN(c1ccc2sc(C(=O)Nc3ccc4c(c3)OCCO4)cc2c1)S(C)(=O)=O 223072911 PHCAJADXCWHWTM-UHFFFAOYSA-N 418.496 3.321 0 40 HGAB Cc1ccc(C(=O)NCCOc2cccc(C)c2C)cc1S(=O)(=O)N1CCCC1 223925854 FCRWAYIUBMHSBF-UHFFFAOYSA-N 416.543 3.205 0 40 HGAB Cc1ccc(OCCNC(=O)[C@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)c(C)c1 224009954 FJKDTHAHWBZWOO-INIZCTEOSA-N 424.950 3.307 0 40 HGAB COc1cc(C)c(S(=O)(=O)N(C)Cc2nc(-c3ccc(C)cc3)no2)cc1C 225570257 IVJFPFDKLIDCJF-UHFFFAOYSA-N 401.488 3.491 0 40 HGAB CCCn1c(=O)sc2cc(S(=O)(=O)Nc3ccc(C(=O)OCC)cc3)ccc21 225722199 WQCSYGWABOEROI-UHFFFAOYSA-N 420.512 3.451 0 40 HGAB c1ccc(CN2C[C@]3(CCN(Cc4ccc5c(c4)OCO5)C3)c3ncccc32)nc1 306137966 RLFAQFUXVPTBLP-XMMPIXPASA-N 400.482 3.369 0 40 HGAB CN(Cc1cccc(OCCN2CCCCC2)c1)C[C@]1(O)CCN(c2ccccn2)C1 585270663 AMIDBHGUPAPOKG-RUZDIDTESA-N 424.589 3.020 0 40 HGAB Cc1cc(Nc2cnccn2)nc([C@H]2CCCCN2C(=O)/C=C/c2csc(C)n2)n1 585290765 DUMOODJLAPYOAY-DKRLNXSXSA-N 421.530 3.851 0 40 HGAB CNC(=O)c1ccnc2c([C@@H](C)CNc3cc(-c4cnc(C)nc4)ncn3)cccc12 1560403829 PEACIOGDEQRHFA-AWEZNQCLSA-N 413.485 3.365 0 40 HGAB CCOc1cc(CN2CCO[C@]3(CCCCN(C(C)C)C3=O)C2)c(C)cc1OC 2037984229 USXBLCJRCWQECB-HSZRJFAPSA-N 404.551 3.394 0 40 HGAB O=C1C[C@H](CN2C(=O)NC3(CCCCC3)C2=O)CN1Cc1ccc(F)c(Cl)c1 2298050214 OFSRHPWUNCROMU-AWEZNQCLSA-N 407.873 3.082 0 40 HGAB CCOc1ccccc1NC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OC)cc1OC 641177 BAXUHNCURLEAQD-FQEVSTJZSA-N 411.458 3.369 0 40 HGAB CC(C)c1ccc(NC(=O)N2CCC[C@@H]2C(=O)Nc2ccc(-n3cnnn3)cc2)cc1 1343135 MTUMMMKQUSCMQL-HXUWFJFHSA-N 419.489 3.421 0 40 HGAB COC(=O)c1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2C[C@@H]2CCCO2)cc1 2439146 BLNCAYJJPOLDMN-JXFKEZNVSA-N 419.433 3.304 0 40 HGAB COCCCNC(=S)N(Cc1cccnc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O 4127621 JNUGDETVFQIALS-UHFFFAOYSA-N 424.570 3.453 0 40 HGAB COc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4cccnc4)[C@H]3C2=O)cc1 4140190 CAKLGVMOEACNNO-NJYVYQBISA-N 401.422 3.141 0 40 HGAB CCn1c(CSc2nc(C)cc(C)n2)nnc1SCC(=O)N1CCCC[C@H]1C 4169159 MPODIFUUMOCVSJ-OAHLLOKOSA-N 420.608 3.490 0 40 HGAB COc1ccccc1OCCSc1nnc(CC(=O)Nc2ccccc2C)n1C 4735877 WJBOUTIWIRLGIP-UHFFFAOYSA-N 412.515 3.484 0 40 HGAB CCOc1ccc(C(=O)OCc2nc3ccc(OCC)cc3[n+]([O-])c2C(C)=O)cc1 5501273 XUIMVFJALPXFDK-UHFFFAOYSA-N 410.426 3.225 0 40 HGAB CC(=O)CC(=O)N[C@H]1CC[C@@H](C[C@H]2CC[C@H](NC(=O)CC(C)=O)[C@H](C)C2)C[C@H]1C 5528283 DLAADOGEGQKDFC-BZDUYGCESA-N 406.567 3.177 0 40 HGAB O=C1CN(C(=O)CSc2nnc3c(Cl)cc(Cl)cn23)c2ccccc2N1 6099205 CYTPFHSACNNSBS-UHFFFAOYSA-N 408.270 3.114 0 40 HGAB CCCOc1ccc(C(=O)N/N=C\c2ccccc2OCC(=O)O)cc1OCC 6324654 KCGMTAOQFZYGTQ-XKZIYDEJSA-N 400.431 3.101 0 40 HGAB Cc1cccc(N2CCN(C(=O)[C@@H](NC(=O)Cc3ccccc3)C(C)C)CC2)c1C 7777531 QOKTWVNPJLNZGY-DEOSSOPVSA-N 407.558 3.336 0 40 HGAB CN(CC(=O)Nc1ccc(F)cc1)C(=O)C1CCN(C(=O)Nc2ccccc2)CC1 8315365 SYAFTIKYBJLPOL-UHFFFAOYSA-N 412.465 3.167 0 40 HGAB COc1ccc(C(=O)N[C@@H](C)CCc2ccccc2)cc1S(=O)(=O)NC(C)C 8475955 QFWNABUTXNEXGQ-INIZCTEOSA-N 404.532 3.133 0 40 HGAB Cc1nc2cc(NC(=O)CN3C(=O)N[C@](C)(CCc4ccccc4)C3=O)ccc2o1 8883222 VBWGYFOVFPOYPV-JOCHJYFZSA-N 406.442 3.018 0 40 HGAB CCN(CC)[C@@H](CNS(=O)(=O)c1ccc2c(c1)OCCO2)c1ccccc1Cl 8982156 GTVSYZOCBMHLAP-SFHVURJKSA-N 424.950 3.473 0 40 HGAB COc1ccc([C@H](NC(=O)Cn2nnc(-c3cccs3)n2)c2ccccc2)cc1 9389390 AJQRVHZALQIHMU-HXUWFJFHSA-N 405.483 3.316 0 40 HGAB Cc1ccc(NC(=O)CNc2cc(F)cc(F)c2)cc1S(=O)(=O)N1CCCCC1 10026437 QUSCGHPVSMLDKD-UHFFFAOYSA-N 423.485 3.498 0 40 HGAB O=C(COc1ccc(Cl)cc1Br)N1CCN(c2nccs2)CC1 10269637 DTKWROCUWBCNSA-UHFFFAOYSA-N 416.728 3.287 0 40 HGAB COc1ccc(S(=O)(=O)N(C)c2ccccc2)cc1I 10286723 LGGHEMCLJHOYTH-UHFFFAOYSA-N 403.241 3.125 0 40 HGAB COc1ccc(N([C@H](C)C(=O)NCc2ccccc2C)S(C)(=O)=O)cc1Cl 10313828 SOFGVTNYQIJMCE-CQSZACIVSA-N 410.923 3.128 0 40 HGAB CC(C)c1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC(=O)NC[C@@H]1CCCO1 11120278 GSBQXJWUSMXHRO-KRWDZBQOSA-N 414.527 3.281 0 40 HGAB COc1ccc(CC(=O)N[C@H](C)c2nc3cc(-c4ccc(OC)cc4)ncn3n2)cc1 12085086 QKKROJDWPQXLHY-OAHLLOKOSA-N 417.469 3.228 0 40 HGAB COc1cc2oc(=O)cc(C)c2cc1CCC(=O)N1CCN(c2ccccc2)CC1 12323180 PSUJWXZGYPNFPW-UHFFFAOYSA-N 406.482 3.391 0 40 HGAB biogenic COC(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(NC(=O)c3ccco3)c2)c1 12525955 HWFJTOOYADHEDL-UHFFFAOYSA-N 414.439 3.428 0 40 HGAB C[C@@H]1CN(Cc2csc(NC(=O)c3ccc(C(F)(F)F)nc3)n2)C[C@@H](C)O1 12791534 IOXAEQVJTVYMJX-GHMZBOCLSA-N 400.426 3.418 0 40 HGAB Cc1ccccc1N1CCN(CCS(=O)(=O)c2ccc(Br)cc2)CC1 13042295 BRDUJBYELVOYGG-UHFFFAOYSA-N 423.376 3.353 0 40 HGAB CCOC(=O)c1ccc(NC(=O)[C@@H](CC)N(c2ccc(F)cc2)S(C)(=O)=O)cc1 13715244 DIAZXVCRXGWOIB-GOSISDBHSA-N 422.478 3.186 0 40 HGAB CC(=O)N1CCc2cc(C(=O)[C@@H](C)OC(=O)c3ccc4c(c3)NC(=O)CS4)ccc21 14247537 DODBTPOJIJNOPY-GFCCVEGCSA-N 424.478 3.068 0 40 HGAB Cc1noc(C)c1S(=O)(=O)N1CCCN(Cc2ccc(Cl)cc2Cl)CC1 14315133 ZVTYWCYDGOGJEY-UHFFFAOYSA-N 418.346 3.495 0 40 HGAB CC(C)CNC(=O)CN(Cc1ccccc1F)S(=O)(=O)c1ccc(Cl)cc1 14359892 UMVGWOYUIWHHTA-UHFFFAOYSA-N 412.914 3.442 0 40 HGAB COc1cc(C)c(Br)cc1S(=O)(=O)N1CCN=C1Cc1ccccc1 16780270 HNCFGHQHLKYTHK-UHFFFAOYSA-N 423.332 3.412 0 40 HGAB CN(CCOc1cccc(Cl)c1)C(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 16964797 SRPSUENDRWRMBM-UHFFFAOYSA-N 422.934 3.276 0 40 HGAB COc1ccc([C@H]2CN(S(C)(=O)=O)[C@@H]3CCN(Cc4ccc(C)cc4)C[C@H]23)cc1 19210337 VZSPAKFVXUCTQZ-DNVJHFABSA-N 414.571 3.253 0 40 HGAB C[C@H]1CCCN(c2ncc(C(=O)NCC3(c4ccccc4F)CCOCC3)cn2)C1 19496646 NBQMMFZJKUIMHU-KRWDZBQOSA-N 412.509 3.330 0 40 HGAB CCCc1cc(C(=O)N2CC[C@H](c3cc4nc(C)cc(C(F)(F)F)n4n3)C2)n(C)n1 19525262 OYUZSBFVFYIBFN-ZDUSSCGKSA-N 420.439 3.372 0 40 HGAB CCNC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCCN(C(=O)c2cc[nH]n2)C1 19528597 YTTBSQDJGOQSQW-DEOSSOPVSA-N 417.513 3.073 0 40 HGAB Cc1c(C(=O)N2CCC(c3nnc(-c4nccc5ccccc45)o3)CC2)cnn1C 19553226 PJNMBFXKKABWQZ-UHFFFAOYSA-N 402.458 3.347 0 40 HGAB CN(C)c1ncc(-c2cnn(C)c2)c([C@H]2CCCN(CCOc3ccc(F)cc3)C2)n1 19694868 IRUZCZCJFFDFEU-KRWDZBQOSA-N 424.524 3.341 0 40 HGAB CCn1c(SCC(=O)NCc2ccccc2)nnc1-c1cccc(NC(C)=O)c1 19929515 NFOSWCXCSLORSQ-UHFFFAOYSA-N 409.515 3.332 0 40 HGAB CCN(CC(=O)Nc1cc(F)ccc1C)S(=O)(=O)c1ccc(OC)c(Cl)c1 19930418 GUFPXBFUSDPNRB-UHFFFAOYSA-N 414.886 3.445 0 40 HGAB O=C(Nc1ccc(N2CCOCC2)c(Br)c1)c1ccc2c(c1)OCCO2 20611793 VJTLPMNSHYZKLH-UHFFFAOYSA-N 419.275 3.309 0 40 HGAB O[C@H]1CCCN(c2nc(CN3CCOCC3)nc3scc(-c4cccs4)c23)C1 22240900 JWXTXHYXIMRQSS-AWEZNQCLSA-N 416.572 3.213 0 40 HGAB Cc1nc2sc([C@@H](c3ccc(F)c(F)c3)N3CCC4(CC3)OCCO4)c(O)n2n1 22626603 FOKHNVQQOHCBJR-OAHLLOKOSA-N 422.457 3.011 0 40 HGAB CC(=O)c1cccc(NC(=O)CN2CCN(Cc3c(F)cccc3Cl)CC2)c1 23249007 DNMPROQITDSOPW-UHFFFAOYSA-N 403.885 3.438 0 40 HGAB CN1C(=O)c2ccc(NC(=O)c3nc(-c4ccccc4)n(-c4ccccc4)n3)cc2C1=O 24020681 NCMKBNYCOFATSM-UHFFFAOYSA-N 423.432 3.412 0 40 HGAB CN(CC(=O)N1CCCc2cc(C(F)(F)F)ccc21)S(=O)(=O)c1cccs1 24470659 AARGRAVDEOOUGB-UHFFFAOYSA-N 418.462 3.367 0 40 HGAB CCOC(=O)c1cc(CC)sc1NC(=O)CCN1C(=O)COc2ccccc21 26363671 TUOGCQDQJLABII-UHFFFAOYSA-N 402.472 3.241 0 40 HGAB Cc1cc2nc(C)c(CCC(=O)Nc3cccc(C(=O)N4CCCC4)c3)c(C)n2n1 29264704 RNOSBXMAUJKVLO-UHFFFAOYSA-N 405.502 3.462 0 40 HGAB CCOc1ccc(NC(=O)CCN2C(=O)c3ccccc3N3C(=O)CC[C@]23C)cc1 29736826 AILCPTVRAAIGCR-HSZRJFAPSA-N 407.470 3.413 0 40 HGAB O=C(NC1CCN(C(=O)C2CCCCC2)CC1)c1cc(Br)ccc1O 32667175 FSZMOARDDZZHQV-UHFFFAOYSA-N 409.324 3.456 0 40 HGAB CNc1nc(S[C@@H](C)C(=O)NCc2ccc(OC)c(OC)c2)nc2ccccc12 32776153 IDHFTASMJHVQRI-ZDUSSCGKSA-N 412.515 3.486 0 40 HGAB CC(C)(C)c1ccc(/C=C/C(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)cc1 32909306 BDQDXQOSLMNANK-FZTBYCBGSA-N 405.560 3.192 0 40 HGAB O=C(NCc1ccccc1F)c1cc(-c2cccs2)n([C@@H]2CCS(=O)(=O)C2)n1 33325353 SGFPGLJRQHEBSB-CQSZACIVSA-N 419.503 3.040 0 40 HGAB COc1ccc(OC)c(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(C)cc3)C2)c1 33546326 XWEPZDJUEKOVJN-INIZCTEOSA-N 418.515 3.052 0 40 HGAB Cc1cccc(NC(=O)CN2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)c1 34896514 ZAJHBJJWDVDYTD-UHFFFAOYSA-N 415.559 3.063 0 40 HGAB O=C(CSc1nnc2c(=O)n(-c3ccccc3)ccn12)c1c[nH]c2ccccc12 35447916 ZFMWFTRIGGURGD-UHFFFAOYSA-N 401.451 3.337 0 40 HGAB C[C@H]1C[C@H](C)CN(C(=O)CN2CCN(C(=O)Nc3cccc4ccccc34)CC2)C1 37197387 SHPDKDIWBQNISE-OALUTQOASA-N 408.546 3.494 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)N[C@H](C)c1ccc(F)cc1 38755404 VUOQMPWEVKCBBP-OAHLLOKOSA-N 420.506 3.500 0 40 HGAB COc1cc(CS(=O)(=O)CC(=O)N(C)C2CCC(C)CC2)ccc1OC(F)F 40106111 JYEVZPSNVZUPSZ-UHFFFAOYSA-N 419.490 3.249 0 40 HGAB O=C(Nc1ccc(F)cc1)NC1CCN(C(=O)Cc2cnn(-c3ccccc3)c2)CC1 40154573 NFIDFFYGMCVLCY-UHFFFAOYSA-N 421.476 3.367 0 40 HGAB COc1ccccc1/C=C/C(=O)Nc1cc(S(=O)(=O)NC(C)C)ccc1OC 44880679 BMJXWNWSMBAAID-FMIVXFBMSA-N 404.488 3.042 0 40 HGAB C[C@@H](Sc1ccccc1)C(=O)NCCN1C(=O)S/C(=C/c2cccnc2)C1=O 49951094 ATIZXVFMADBZQY-RFRKOGIWSA-N 413.524 3.415 0 40 HGAB CN(C)C(=O)c1ccc(NC(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)cc1Cl 56436605 PHJIHNWJWNGTKD-GOSISDBHSA-N 415.877 3.412 0 40 HGAB CC(=O)c1cccc(NC(=O)Cn2c(=O)n(-c3ccccc3)c(=O)c3sccc32)c1 57428859 QGMVMBWUYSDPBN-UHFFFAOYSA-N 419.462 3.055 0 40 HGAB O=C(Cn1c(=O)n(CCc2cccs2)c(=O)c2ccccc21)Nc1ccc(F)cc1 57473242 FNGBYGKYRWSOTL-UHFFFAOYSA-N 423.469 3.245 0 40 HGAB CCN(CC)[C@H](C(=O)N1CCC2(CC1)NC(=O)c1ccccc1O2)c1ccccc1 57796490 OBJFQSKMJMGILD-NRFANRHFSA-N 407.514 3.211 0 40 HGAB Cc1cccc2c(=O)n(CCC(=O)N[C@H](C)c3nc(-c4ccc(F)cc4)no3)cnc12 58180454 ZZDBGEURPHDVBL-CQSZACIVSA-N 421.432 3.162 0 40 HGAB Cc1nc(CSc2ccccc2C(=O)N2CCC(C(=O)NC(C)C)CC2)no1 58198355 CNTNIEJPEVFXKR-UHFFFAOYSA-N 402.520 3.047 0 40 HGAB CC(=O)[C@@H]1CC(C(=O)NCc2cc(Br)cs2)=NN1c1ccccc1 58224929 UCPJGIPUFNBEQH-INIZCTEOSA-N 406.305 3.351 0 40 HGAB CCOc1ccc(-c2[nH]ncc2C(=O)N2CCN(c3ccccn3)CC2)cc1Cl 71011380 RKZIYORHMJGNMT-UHFFFAOYSA-N 411.893 3.486 0 40 HGAB COc1ccccc1CNC(=O)c1cc([C@H]2CCN(C(=O)c3ccc(F)cc3)C2)n[nH]1 72375100 DSARJXFRRXFKEK-KRWDZBQOSA-N 422.460 3.117 0 40 HGAB COc1ccc(C(=O)N[C@H]2CCN(c3ccccc3Br)C2)cc1OC 78881859 DGAGCTHELARXRH-AWEZNQCLSA-N 405.292 3.475 0 40 HGAB C[C@H](OC(=O)[C@H]1SCCc2ccccc21)C(=O)c1ccc(NS(C)(=O)=O)cc1 78951634 VKMLINHDBJABKC-DJJJIMSYSA-N 419.524 3.203 0 40 HGAB Cc1ccc(S(=O)(=O)NCc2ccc(-c3nn4c(C)nnc4s3)cc2)c(C)c1 95116508 QNCWAOLHDTWGBP-UHFFFAOYSA-N 413.528 3.257 0 40 HGAB CC(C)(C)OC(=O)NC[C@H](NC(=O)c1nccnc1N)c1ccc2ccccc2c1 95446671 GMDJKNJNTZFRCN-KRWDZBQOSA-N 407.474 3.208 0 40 HGAB COC(=O)C[C@H](c1oc(CSc2ccccc2)cc(=O)c1O)c1ccnn1C 95480866 VKDKKDHXWNRQOO-HNNXBMFYSA-N 400.456 3.066 0 40 HGAB CN1CCN(C(=O)C[C@@H]2CC3(CCN(Cc4ccccn4)CC3)c3ccccc32)CC1 96052941 MIIXEGRINMIQGT-OAQYLSRUSA-N 418.585 3.267 0 40 HGAB C[C@@H]1CN(C(=O)Cc2ccc(F)cc2)CC[C@]12CC[C@H](C(=O)Nc1cccnc1)O2 96261101 AMBFRLPUGKWREO-AYPBNUJASA-N 411.477 3.188 0 40 HGAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O 103251388 ZBKUHMZZMFGGLW-LVCYWYKZSA-N 419.525 3.423 0 40 HGAB COc1cccc(-c2noc(CNC(=O)C3CCN(Cc4ccc(F)cc4)CC3)n2)c1 219425822 YTBPOCDJSPBNKD-UHFFFAOYSA-N 424.476 3.413 0 40 HGAB CC[C@H](C(=O)N1CCc2ccccc2C1)N(c1cc(C)cc(C)c1)S(C)(=O)=O 220562848 JAHZKXPDRGDHGP-OAQYLSRUSA-N 400.544 3.433 0 40 HGAB O=C(NCCO)[C@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1 223489468 VCBLJECDCYXGMD-DEOSSOPVSA-N 420.484 3.247 0 40 HGAB CC(C)C[C@@H](NC(=O)COc1ccc(N(C)S(C)(=O)=O)cc1)c1ccccc1 223904155 VZDJYNZYJCZMQD-HXUWFJFHSA-N 404.532 3.365 0 40 HGAB Cc1ccc(C)c(OCCNC(=O)[C@@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)c1 224004555 RTSCSGGNFUPAPC-MRXNPFEDSA-N 424.950 3.307 0 40 HGAB Cc1ccc(C(=O)NCCCN2CCCC2)cc1N(C)S(=O)(=O)c1ccccc1 224297664 GERSMBLJEGDIJK-UHFFFAOYSA-N 415.559 3.036 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCCc3cccc(C)c3)C2)cc1 225520270 NOIFYCMDANJHOO-OAQYLSRUSA-N 414.571 3.453 0 40 HGAB CCOC(=O)C1(c2ccc(NC(=O)c3cn4c5c(cccc5c3=O)CC4)cc2)CC1 225860967 FHFBSUMSMHQJSM-UHFFFAOYSA-N 402.450 3.405 0 40 HGAB O=C(Nc1ccc2sncc2c1)C1CCN(S(=O)(=O)c2ccccc2)CC1 226071748 MQPZSVZIHQCWCR-UHFFFAOYSA-N 401.513 3.336 0 40 HGAB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NCC(C)(C)C)Cc1ccccc1 226079299 RSNHTHZNPHFLNZ-UHFFFAOYSA-N 418.559 3.357 0 40 HGAB O=C1N[C@]2(C[C@H]3CC[C@H]2C[C@@H]3C(=O)N2CC[C@]3(O)CCCC[C@H]3C2)Oc2ccccc21 247710646 JACHWOMCHFUKFN-OKOGWJFUSA-N 424.541 3.095 0 40 HGAB COc1ccc2c(c1)O[C@]1(C[C@H]3CC[C@H]1C[C@H]3C(=O)NCc1ccc(F)cc1)NC2=O 247954738 NNELNDWZICFSLK-ZTBQPFKDSA-N 424.472 3.405 0 40 HGAB CC[C@H](O)C[C@@H]1CC[C@H]([C@H](C)C(=O)O[C@H](CC)C[C@@H]2CC[C@H]([C@H](C)C(=O)O)O2)O1 253388200 WGVQPPKZKAJDGR-VEXZJRQHSA-N 414.539 3.311 0 40 HGAB biogenic,in-vitro CCNC(=O)Cc1c(C)nc([C@@H]2CCCN(C(=O)[C@@H](C)c3ccccc3)C2)nc1C 257205002 AXFFCIFKAKQYSD-OXJNMPFZSA-N 408.546 3.282 0 40 HGAB O=S(=O)(c1ccccc1)N1CCC2(CC1)Oc1c(O)cccc1[C@H]1OCCC[C@@H]12 257335598 YKZNDWCJEYKJTO-AZUAARDMSA-N 415.511 3.476 0 40 HGAB CC(C(=O)N1CCC[C@](C(N)=O)(c2ccccn2)C1)(c1ccccc1)c1ccccc1 257337946 YVCRLVUVWCFMDB-AREMUKBSSA-N 413.521 3.433 0 40 HGAB O=C(NCCn1nc([C@H]2CCCN(C(=O)[C@@H]3CC=CCC3)C2)c2cccnc21)C1CC1 257342176 ZNLJWEYIGMCSTC-MOPGFXCFSA-N 421.545 3.020 0 40 HGAB Cc1cc(OCC(=O)N2CC[C@H](Oc3ccccc3)[C@@](C)(O)C2)c2ccccc2n1 257342861 ZQKIAQZMMPNYCW-UPVQGACJSA-N 406.482 3.353 0 40 HGAB CCc1ccc(N([C@@H](C)C(=O)N[C@H](C)c2ccc(OC)cc2)S(C)(=O)=O)cc1 260592361 UVPJGVSWJQFBON-CVEARBPZSA-N 404.532 3.290 0 40 HGAB COc1ccc(N([C@@H](C)C(=O)N[C@H](C)c2ccc3c(c2)CCC3)S(C)(=O)=O)cc1 260924569 IPDPUGSZZHABCA-CVEARBPZSA-N 416.543 3.216 0 40 HGAB COc1ccc(NC(=O)COc2ccc(S(=O)(=O)N3CCCCC3)cc2C)cc1 408587494 DAKRZDJERIVUAW-UHFFFAOYSA-N 418.515 3.196 0 40 HGAB Cc1cccc(NC(=O)CN(c2ccc(Br)cc2)S(C)(=O)=O)c1C 409023695 CDVDAJXRSZHJMI-UHFFFAOYSA-N 411.321 3.471 0 40 HGAB Cc1cc(S(=O)(=O)N2CCC[C@H](Oc3ncc(F)cn3)C2)c(Cl)cc1Cl 575611607 DOAQOPOXOCOOIW-LBPRGKRZSA-N 420.293 3.463 0 40 HGAB CCc1onc(-c2ccccc2Cl)c1C(=O)NCc1nnnn1-c1ccccc1 684410810 LALJWKQQQJVSPP-UHFFFAOYSA-N 408.849 3.463 0 40 HGAB O=S(=O)(c1cccc2c(S(=O)(=O)N3CCCCC3)cccc12)N1CCCCC1 841045 LDDYACZQFHGXFW-UHFFFAOYSA-N 422.572 3.189 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)cc1 1359759 NSWGTGIITWDDGC-HNNXBMFYSA-N 417.462 3.453 0 40 HGAB CC(C)c1nc2sc3c(N(C[C@@H](C)O)C[C@@H](C)O)ncnc3c2c2c1CCC2 2242539 TWTISTKJPQLOLC-CHWSQXEVSA-N 400.548 3.420 0 40 HGAB COc1ccc(NC(=O)CSc2nnc(-c3ccc(C)cc3)n2N)cc1Cl 2337357 FMDBVRKLQZYDGO-UHFFFAOYSA-N 403.895 3.360 0 40 HGAB Cc1ccc(S(=O)(=O)NCC(=O)OCc2csc(Nc3ccccc3)n2)cc1 3228630 QDQREGQYYQWEFE-UHFFFAOYSA-N 417.512 3.217 0 40 HGAB CSCC[C@@H](C(=O)Nc1nc2c(s1)CCCC2)N1C(=O)c2ccccc2C1=O 3248849 ZFPHBHZCBVZWTP-HNNXBMFYSA-N 415.540 3.378 0 40 HGAB COc1cc(/C=C/C(=O)OCC(=O)Nc2cc(F)ccc2F)cc(OC)c1OC 3415172 DFIWWASZBFIHNQ-QPJJXVBHSA-N 407.369 3.186 0 40 HGAB CCOc1ccc(N2C(=O)[C@H]3C(C(C)=O)=NN(c4ccccc4Cl)[C@H]3C2=O)cc1 4670725 BXUMKEUQRSWZDZ-PKOBYXMFSA-N 411.845 3.062 0 40 HGAB O=C(NCCc1ccc(Cl)cc1)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 4904416 RGBXDJGFGNANAU-OAHLLOKOSA-N 412.964 3.161 0 40 HGAB COc1cc(OC)c([C@H]2CC(=O)N(c3cccc(F)c3)C3=C2C(=O)OC3)cc1OC 4944725 WJCFBBBBVRUNBX-OAHLLOKOSA-N 413.401 3.183 0 40 HGAB CCOC(=O)C1CCN(C(=O)COc2ccc(N(C)C(=O)c3ccccc3)cc2)CC1 4949886 KGZXDOKJDAPICE-UHFFFAOYSA-N 424.497 3.144 0 40 HGAB COc1ccc(NC(=O)c2ccc(S(=O)(=O)Nc3ccccc3F)cc2)cn1 5062384 SCBNLCTUEXGEIT-UHFFFAOYSA-N 401.419 3.282 0 40 HGAB CC(C)c1ccc(OCC(=O)Nc2c3c(nn2C(C)(C)C)CS(=O)(=O)C3)cc1 5077908 BSVOZIXLCQUOJJ-UHFFFAOYSA-N 405.520 3.207 0 40 HGAB CC1=C(C(=O)Nc2ccc(Br)cc2)[C@H](c2ccc(O)cc2)NC(=O)N1 5231950 PWQZALPCLMKMLH-INIZCTEOSA-N 402.248 3.421 0 40 HGAB Cc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3n2C(C)(C)CO[C@H]3c2ccco2)cc1 5351346 BNMILIDRHOKFMO-NRFANRHFSA-N 419.481 3.462 0 40 HGAB O=C(COC(=O)COc1ccc(Br)cc1)NC12CC3CC(CC(C3)C1)C2 6322261 DINCPYSFBQHFKS-UHFFFAOYSA-N 422.319 3.456 0 40 HGAB CCCCCNC(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccccc1 6596930 ZUCMWQVBYRKCDF-UHFFFAOYSA-N 420.531 3.206 0 40 HGAB C[C@@H]1CCCN(S(=O)(=O)c2csc(C(=O)Oc3ccc4c(c3)OCO4)c2)C1 6680964 LMNDSDFCIRWVJT-GFCCVEGCSA-N 409.485 3.117 0 40 HGAB Cc1ccc(NC(=O)COC(=O)CSCC(=O)Nc2ccc(C)cc2C)cc1 7737207 WZLDDFKKLSUJJV-UHFFFAOYSA-N 400.500 3.465 0 40 HGAB Cc1ccc(N2C[C@@H](C(=O)OCC(=O)N[C@H](C)c3ccccc3)CC2=O)cc1Cl 7940059 LOAUWRQCTQLGGH-WBVHZDCISA-N 414.889 3.422 0 40 HGAB COc1cc(C(=S)N2CCC(C(N)=O)CC2)ccc1OCc1ccccc1F 8113935 ZASNEWQHOIOFEU-UHFFFAOYSA-N 402.491 3.286 0 40 HGAB Cc1ccccc1-c1nnn(CC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)n1 8528138 GWMWWRLYEPOMBQ-IBGZPJMESA-N 419.485 3.174 0 40 HGAB Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccccc3)c(=O)n2C)cc1C 8656864 HVDLEMPAKOIQDZ-UHFFFAOYSA-N 415.497 3.104 0 40 HGAB COc1cccc(CNC(=O)COC(=O)/C=C/c2cc(Br)ccc2F)c1 9985781 GNZIZJXKDHUQAI-VMPITWQZSA-N 422.250 3.470 0 40 HGAB COC[C@@H](C)NC(=O)CN1c2ccc(C(C)C)cc2-c2ccccc2S1(=O)=O 11120206 QHFPWRNNSDTENB-OAHLLOKOSA-N 402.516 3.137 0 40 HGAB CC(C)NC(=O)NC(=O)COC(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1 11708641 AHXORHHGDIGKJO-UHFFFAOYSA-N 424.379 3.235 0 40 HGAB O=C(CN1CCC[C@@H]2CN(C(=O)c3cccc(C(F)(F)F)c3)C[C@@H]21)NC1CCCC1 12188367 ZOZNBAHDDVYUPK-APWZRJJASA-N 423.479 3.301 0 40 HGAB Cc1ccccc1OCC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCCCC2)c1 12766867 LXWWRWPVXCIHFU-UHFFFAOYSA-N 402.516 3.496 0 40 HGAB COc1ccc([C@H](C)NC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)cc1F 12806079 KETVPJZTEOOZTI-ZDUSSCGKSA-N 406.479 3.038 0 40 HGAB NC(=O)N[C@H](CC(=O)NC1CCN(Cc2ccccc2)CC1)c1ccc(Cl)cc1 12851992 DPKWGPFQVUYMIA-HXUWFJFHSA-N 414.937 3.220 0 40 HGAB Cc1cc(=O)oc2c(C)c(OCCOc3ccc(S(=O)(=O)N(C)C)cc3)ccc12 12903990 BUJITEBWSWHLHB-UHFFFAOYSA-N 417.483 3.118 0 40 HGAB O=C(c1csc2c1CCCC2)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 12933872 UAWMSTPGYXIDSV-UHFFFAOYSA-N 424.975 3.427 0 40 HGAB CN(C)C(=O)[C@H](Sc1nc(CN2CCOCC2)nc2ccccc12)c1ccccc1 12971316 WZFWLIKSUUZIPW-OAQYLSRUSA-N 422.554 3.384 0 40 HGAB COc1ccc([C@@H]2CCCN2C(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)cc1 12984799 QYQXGRWXYAXWKQ-IBGZPJMESA-N 422.934 3.333 0 40 HGAB CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N=C(O)[C@@H]2[C@@H]2C=Cc3cc(Br)ccc3N21 13626188 SQIIDXZKTKKGEG-YJNKXOJESA-N 403.276 3.377 0 40 HGAB O=C(NCCc1c[nH]cn1)c1cc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1 17081823 WOGFYNAWFSANRE-UHFFFAOYSA-N 400.364 3.111 0 40 HGAB Cc1ccc2c(C)c(CCC(=O)OCc3nnnn3-c3ccccc3)c(=O)oc2c1 17266485 NYSFSKYKHXFQDO-UHFFFAOYSA-N 404.426 3.062 0 40 HGAB Cc1ccccc1NC(=O)[C@H]1CCCCN1S(=O)(=O)c1cccc2nsnc12 19077892 ZRVGEWDPTHQDAN-MRXNPFEDSA-N 416.528 3.182 0 40 HGAB NS(=O)(=O)c1ccc(OCCOC(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1 19312943 QTLPQAVTCGUSBP-UHFFFAOYSA-N 423.918 3.421 0 40 HGAB CC[C@H](c1ccc(F)cc1)n1cc(C(=O)Nc2ccc3c(c2)N(C)C(=O)CO3)nn1 19500454 DTPQLWCJJDKHSZ-QGZVFWFLSA-N 409.421 3.024 0 40 HGAB COc1cc(CN2CCO[C@H](c3nc(-c4ccccc4)no3)C2)cc(OC)c1OC 19549872 VTNFKHUMYKJXSG-IBGZPJMESA-N 411.458 3.336 0 40 HGAB O=C(c1ccc(Nc2nc(=O)cn[nH]2)cc1)N(Cc1ccccn1)C1CCCCC1 19719196 OWYNIXLNNHRWLB-UHFFFAOYSA-N 404.474 3.279 0 40 HGAB O=C(CSc1nc2ccccc2o1)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 20026636 KZMPTZBBUFZZHA-CYBMUJFWSA-N 422.553 3.197 0 40 HGAB Cc1cc(=O)oc2cc(OCc3noc(C(=O)NCc4cccc(F)c4)n3)ccc12 20721643 YFSLOXCNWGUVON-UHFFFAOYSA-N 409.373 3.133 0 40 HGAB O=C1NC2(CCN(C(=O)c3ccccc3)CC2)N=C1c1ccc(Br)cc1 21093494 RBOPPFXFXGEDNN-UHFFFAOYSA-N 412.287 3.001 0 40 HGAB Cc1ccc([C@@](O)(CCNc2ccc3nnc(C(F)(F)F)n3n2)C(F)(F)F)o1 22406396 MZTDMLQIYHKMIM-ZDUSSCGKSA-N 409.290 3.297 0 40 HGAB CN1CCN([C@@H](c2cccs2)c2sc3nc(-c4ccco4)nn3c2O)CC1 22577397 YDJJCEWSISCMHU-AWEZNQCLSA-N 401.517 3.155 0 40 HGAB CCOC(=O)c1c(C)[nH]c(C(=O)CN2CCN(C/C=C/c3ccccc3)CC2)c1C 22874596 BIVBEOUWNRSJPG-DHZHZOJOSA-N 409.530 3.322 0 40 HGAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N2CCN(Cc3ccsc3)CC2)c1C 23257580 YCQJKVSGSZEDTG-MRXNPFEDSA-N 403.548 3.259 0 40 HGAB C[C@@H](Sc1ccccc1)C(=O)N1CCN([C@H](C(N)=O)c2ccc(Cl)cc2)CC1 24061613 ZCCGNYJPZBVBNN-BEFAXECRSA-N 417.962 3.191 0 40 HGAB O=C(COc1ccc(Br)cc1)N[C@@H](CN1CCOCC1)c1ccccc1 24259120 IVFOMLYOVSCIBY-IBGZPJMESA-N 419.319 3.018 0 40 HGAB O=C1CC(=O)Nc2cc(S(=O)(=O)Nc3ccccc3-c3ccccc3)ccc2N1 24843564 ONFXUKBKBINGLM-UHFFFAOYSA-N 407.451 3.435 0 40 HGAB Cc1cc(C)n(CCCNC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2)n1 27510117 UBWTUUMSJUCDOO-QFIPXVFZSA-N 404.514 3.048 0 40 HGAB CN(Cc1ccc(C(C)(C)C)cc1)C(=O)C1CCN(c2ccc3nncn3n2)CC1 28098062 PEKJZAXHNAHVRG-UHFFFAOYSA-N 406.534 3.297 0 40 HGAB Cc1cc(NC(=O)[C@@H](C)SCC(=O)N(Cc2ccco2)Cc2ccco2)no1 30471620 LTKXXBZUXIJIMF-CQSZACIVSA-N 403.460 3.458 0 40 HGAB Cc1cccc(N2CCN(C(=O)c3cccc(NC(=O)[C@@H]4CCCO4)c3)CC2)c1C 30780586 RIWULHMZLDYLNU-QFIPXVFZSA-N 407.514 3.383 0 40 HGAB CNS(=O)(=O)c1ccc(CNC(=O)C2(c3cccc(Cl)c3)CCCC2)cc1 32252362 NFUWITBIZWJPOP-UHFFFAOYSA-N 406.935 3.376 0 40 HGAB CCCNS(=O)(=O)c1cccc(C(=O)N(Cc2ccc(OC)cc2)C2CC2)c1 32748093 UFBQHUPUTUPKFZ-UHFFFAOYSA-N 402.516 3.188 0 40 HGAB CC(=O)Nc1cccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(Br)c3)C2)c1 32795183 IYPNTOIGVSNXPZ-CYBMUJFWSA-N 416.275 3.399 0 40 HGAB O=C1NC2(CCN(C(=O)Nc3ccc(Cl)cc3)CC2)N=C1c1cccc(F)c1 33267535 NTZOCLDNGYGQTF-UHFFFAOYSA-N 400.841 3.422 0 40 HGAB COc1cccc(-n2c(SCC(=O)NCc3ccco3)nnc2-c2cccnc2)c1 35289144 ZEHDXFXENMPACN-UHFFFAOYSA-N 421.482 3.339 0 40 HGAB CCOc1ccccc1N1CCN([C@@H](C(=O)O)c2c[nH]c3cc(CO)ccc23)CC1 36353203 FFWXGXBNFPLDDY-JOCHJYFZSA-N 409.486 3.007 0 40 HGAB CN1CCN(C(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@H](c2ccc(F)cc2)N3)CC1 38177099 KJCNWIBVQCNNPG-GDBMZVCRSA-N 411.403 3.070 0 40 HGAB Cn1ccnc1[C@H](NC(=O)NCCCc1nc2ccccc2[nH]1)c1cccc(F)c1 40071895 YFVJTQOFNISXRU-HXUWFJFHSA-N 406.465 3.457 0 40 HGAB COc1cc(CNC(=O)c2ccc3c(c2)C(=O)N(C)C3=O)ccc1OCCC(C)C 40112708 GUVMXXPPWARPKQ-UHFFFAOYSA-N 410.470 3.276 0 40 HGAB Cc1nc(NC(=O)[C@@]23CCC(=O)N2c2ccccc2C(=O)N3CC(C)C)sc1C 40266761 XSAVVWOHMIKHKV-OAQYLSRUSA-N 412.515 3.334 0 40 HGAB O=C(NCc1ccc(C(=O)N2CCN(c3nccs3)CC2)cc1)c1cccs1 45036775 OABFYPVKAHAYEI-UHFFFAOYSA-N 412.540 3.097 0 40 HGAB C[C@H]1C[C@@H](C)CN(Cc2ccccc2CNC(=O)C2CCN(C(=O)C3CC3)CC2)C1 48353703 LKLDGJMYDREKQK-KDURUIRLSA-N 411.590 3.429 0 40 HGAB O=S(=O)(c1ccc2nncn2c1)N(Cc1cc(F)cc(F)c1)c1ccccc1 49408199 PWTLEUOSSZFOIV-UHFFFAOYSA-N 400.410 3.403 0 40 HGAB COc1ccccc1N1CCN(CC(=O)Nc2cccc(Br)c2)CC1 54277298 QGOCQUQKTFPGTB-UHFFFAOYSA-N 404.308 3.218 0 40 HGAB CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC(NC(=O)NC3CCCCC3)CC2)c1C 55408798 RVZMSOFDPKYCTB-UHFFFAOYSA-N 418.538 3.045 0 40 HGAB Cc1ccc(C(=O)N2CCN(CC(=O)Nc3ccc(F)c(Cl)c3)CC2)cc1C 57486170 MMIYVTWUQMWFTQ-UHFFFAOYSA-N 403.885 3.492 0 40 HGAB Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)NC3CCCC3)Oc3ccc(C)cc32)cc1 64985775 LGXJNSZWCFEXSR-OAQYLSRUSA-N 414.527 3.319 0 40 HGAB Cc1cc2nc(SCC(=O)NCc3ccccc3)n(Cc3ccco3)c(=O)c2[nH]1 67236185 KATDPYRHTBQXIU-UHFFFAOYSA-N 408.483 3.083 0 40 HGAB CCCCn1c(SCC(=O)NCc2ccc(OC)cc2)nc2cc(C)[nH]c2c1=O 67238489 DRAMOCLVPUBVAP-UHFFFAOYSA-N 414.531 3.250 0 40 HGAB Cc1noc(C)c1S(=O)(=O)N1CCCC[C@H]1c1nc(N)ncc1-c1ccccc1 72377230 WQEPFZPFYWSQAL-KRWDZBQOSA-N 413.503 3.247 0 40 HGAB CCOC(=O)c1ccccc1C(=O)c1ccccc1CN1CCC2(CC1)OCCO2 85651544 SCGKTQAGYCQITK-UHFFFAOYSA-N 409.482 3.433 0 40 HGAB COC(=O)c1csc(NC(=O)Cc2c(C)nn(-c3nc(C)cc(C)n3)c2C)c1C 95463703 ACUVTTIUELJXSE-UHFFFAOYSA-N 413.503 3.234 0 40 HGAB COc1ccc([C@H]2[C@@H](C(=O)NCc3cccnc3)c3ccccc3C(=O)N2C)cc1 95478710 VUJCPKWMZXXBQQ-VXKWHMMOSA-N 401.466 3.317 0 40 HGAB COc1ccc(CN2C(=O)[C@@H]3C[C@@H](CN3C3CCN(C)CC3)Oc3ccccc32)cc1 96111883 MRPSMBGLWKHNPA-GMAHTHKFSA-N 421.541 3.158 0 40 HGAB biogenic,in-vitro O=C(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)Nc1ccc(Br)cc1Cl 103018862 JRGDPSJXMZCTPP-TXEJJXNPSA-N 411.683 3.382 0 40 HGAB CCOC(=O)[C@@H]1C(=O)[C@@H](C(=O)OCC)[C@H]2c3ccccc3-c3ccccc3[C@H]1N2C 104100720 ZQGFVKUARQIOBY-UWHLTILDSA-N 407.466 3.323 0 40 HGAB Cc1ccc(NC(=O)CNC(=O)C(=O)Nc2ccc(Br)cc2)cc1Cl 108945536 JPBOLTJRMPGQBO-UHFFFAOYSA-N 424.682 3.104 0 40 HGAB COC[C@@]1(C(=O)O)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(OC)cc1 218124132 LCJXROGQBPWZLQ-LNLFQRSKSA-N 410.875 3.006 0 40 HGAB Cc1cccc(CNC(=O)[C@H](C)N(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)c1 220201672 MKPHBNXYJIIZRK-AWEZNQCLSA-N 414.449 3.485 0 40 HGAB CCOc1ccc(CNC(=O)[C@@H](CC)N(c2cccc(C)c2)S(C)(=O)=O)cc1 220519080 KBSUNTKEAVTFOK-HXUWFJFHSA-N 404.532 3.255 0 40 HGAB Cc1nc(-n2[nH]c(C(C)(C)C)nc2=O)ccc1Oc1ccnc(-c2cnn(C)c2)c1 222174290 DKZTVZFTPXVEJW-UHFFFAOYSA-N 405.462 3.149 0 40 HGAB CC(=O)c1cccc(NC(=O)CCCCCN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@H]3C2=O)c1 222453653 AQIZKCBRIYLJCU-GRWJBRFTSA-N 420.509 3.441 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N(C)c2cccc(OC)c2)c(C)c1 222819012 PIPGJUMGEAVHOY-UHFFFAOYSA-N 420.531 3.076 0 40 HGAB COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(C)[nH]2)cc1 225229748 SPMXGTJOQMPLMM-SFTDATJTSA-N 421.526 3.480 0 40 HGAB CS(=O)(=O)N(CC(=O)Nc1ccc(OC2CCCC2)cc1)Cc1ccccc1 225318978 FDAYMDNDGFUHIT-UHFFFAOYSA-N 402.516 3.408 0 40 HGAB CN1CCC(Oc2ccc(CNC(=S)Nc3ccc4c(c3)OCCO4)cc2)CC1 225772768 NCPSXPKNZZHPJU-UHFFFAOYSA-N 413.543 3.417 0 40 HGAB CC(=O)[C@]1(OS(=O)(=O)O)CC[C@@H]2[C@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C 257348444 FOZOMGIBIVGVDR-WZGFBNHNSA-N 412.548 3.457 0 40 HGAB C[C@@H]1C[C@@H](C)CN(c2cc(N3CCCC3)nc(NC(=S)NC[C@H]3CCCO3)n2)C1 260720797 ULCHYDPLNGIIFY-BRWVUGGUSA-N 418.611 3.025 0 40 HGAB CCOc1ccc(N([C@H](C)C(=O)N[C@H](C)c2ccccc2OC)S(C)(=O)=O)cc1 260767687 OIOACVSCYUVGQO-HZPDHXFCSA-N 420.531 3.126 0 40 HGAB COc1ccc(C)cc1N(CC(=O)N[C@H](C)C(C)C)S(=O)(=O)c1ccccc1 260902823 WFROJARRDBFJBY-QGZVFWFLSA-N 404.532 3.360 0 40 HGAB CC[C@H](C)NS(=O)(=O)c1ccc(OCC(=O)N[C@H](C)CCc2ccccc2)cc1 408584834 VQXPIIBWPUMDLJ-ZWKOTPCHSA-N 418.559 3.280 0 40 HGAB CNC(=O)CN(Cc1c(Cl)cccc1Cl)S(=O)(=O)c1ccc(C)cc1 409006931 SQFKGTYPEFGWNV-UHFFFAOYSA-N 401.315 3.239 0 40 HGAB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(Br)o2)C1=O 409248304 PKAUXSOUZQJGHA-NTEUORMPSA-N 418.247 3.136 0 40 HGAB COc1ccccc1C1(CNC(=O)N2CCNC(=O)[C@@H]2c2ccccc2)CCCC1 522806543 DUIZTMIBWYYZPA-NRFANRHFSA-N 407.514 3.390 0 40 HGAB C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)CC(=O)N[C@@H](c1cccs1)C(C)(C)C 531902088 REPQMUFQNYYUQA-KUHUBIRLSA-N 423.604 3.292 0 40 HGAB O=S(=O)(NCC[C@H](CCO)c1ccsc1)c1ccccc1Br 575607783 PAEQQNRFNZOJEV-GFCCVEGCSA-N 404.351 3.345 0 40 HGAB CS(=O)(=O)N[C@@H]1CCCC[C@@H]1CNC(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1 581088408 CIXHKGKOVUEYQX-IVAOSVALSA-N 400.544 3.168 0 40 HGAB C[C@@H]1CCC[C@H](OCC(=O)NCC(C)(C)CNC(=O)CO[C@H]2CCC[C@@H](C)C2)C1 602770713 MUHUEYYILWOTCD-ZRNYENFQSA-N 410.599 3.436 0 40 HGAB O=C(Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2Cc2ccncc2)cc1)C1CCCCC1 1772595153 OYTUZDVBKGDLMH-FYYLOGMGSA-N 423.513 3.061 0 40 HGAB Cc1nc2c(c(N3C[C@H]4CN(C(=O)c5ccc(COC(C)C)o5)C[C@@H]4C3)n1)CCC2 1888882275 PWXMULDEKLYBJE-IRXDYDNUSA-N 410.518 3.000 0 40 HGAB CCOc1ccccc1NC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(OC)ccc1OC 641216 IMACKIHDMQRATC-FQEVSTJZSA-N 411.458 3.369 0 40 HGAB CCOc1cc(NS(=O)(=O)c2ccc(OC)cc2)c(OCC)cc1NC(C)=O 1324439 WAXWLEFHHHVFSL-UHFFFAOYSA-N 408.476 3.252 0 40 HGAB CCCNC(=O)c1c(N)n(-c2ccc(OC)c(OC)c2)c2nc3ccccc3nc12 2264208 IAGNHLPERJDCKO-UHFFFAOYSA-N 405.458 3.313 0 40 HGAB O=C(COc1cccc2c1CCN(Cc1ccccc1F)C2=O)NCc1ccco1 2716512 DWCWCHLIFHNCRX-UHFFFAOYSA-N 408.429 3.312 0 40 HGAB O=S(=O)(c1cccc(-c2nnc(SCc3ccccc3)o2)c1)N1CCOCC1 3273924 VPDOTZLTQSZLTJ-UHFFFAOYSA-N 417.512 3.050 0 40 HGAB CCOc1ccc(NC(=O)C[C@@H]2SC(=O)N(CC(=O)c3ccccc3)C2=O)cc1 4383888 WMDOPDBPDCICKO-SFHVURJKSA-N 412.467 3.361 0 40 HGAB CC[C@H](c1nnc(S[C@H](C)C(=O)N2CCCC2)n1Cc1ccccc1)N(C)C 4494510 OXQFZWUCANOXEM-SJLPKXTDSA-N 401.580 3.442 0 40 HGAB Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3cccn3-c3ccccc3F)C2=O)c1 4498458 HORVHYANDDTUOY-CPNJWEJPSA-N 418.428 3.456 0 40 HGAB CS(=O)(=O)c1cccc(-c2nnc(NC(=O)c3nc4ccccc4s3)o2)c1 4585663 MAYFKUUNEJEIFQ-UHFFFAOYSA-N 400.441 3.002 0 40 HGAB O=C1Oc2ccc(Br)cc2[C@@H]2CC(=O)N(Cc3ccccc3)C(=O)[C@@H]12 4653737 PIOOFNUGFUFAHD-YOEHRIQHSA-N 400.228 3.027 0 40 HGAB CC(C)(C)NC(=O)[C@@H](c1ccccn1)N(Cc1ccccc1)C(=O)c1csnn1 4858783 XXZRYKOYSMSZPG-GOSISDBHSA-N 409.515 3.232 0 40 HGAB Cc1occc1-c1nnc(SCC(=O)Nc2nccs2)n1C[C@@H]1CCCO1 4860833 APBGRZNHROFADH-LBPRGKRZSA-N 405.505 3.213 0 40 HGAB O=C(O)c1ccccc1[C@H]1[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2ON1c1ccccc1 5144062 GIRNNZHTRKWVQL-QHAWAJNXSA-N 414.417 3.436 0 40 HGAB CC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccccc3Cl)n2N)cc1 5257338 GLNLISOINGYRHI-UHFFFAOYSA-N 401.879 3.246 0 40 HGAB C[C@@H](Sc1nnc(-c2ccccc2F)n1N)C(=O)N[C@@H]1CCCc2ccccc21 6532872 AEVQCAXCHUGASK-FZKQIMNGSA-N 411.506 3.472 0 40 HGAB CC(C)NS(=O)(=O)c1ccc(OCC(=O)N(C)Cc2ccccc2)c(Cl)c1 6762631 BIGWXNIBHQRWKY-UHFFFAOYSA-N 410.923 3.064 0 40 HGAB CN(CC(=O)Nc1ccc(Cl)cc1)C(=O)CSc1ncnc2ccccc12 6880899 RSMVICJEOKRPFQ-UHFFFAOYSA-N 400.891 3.472 0 40 HGAB COc1ccc(OC)c([C@H]2CCCN2S(=O)(=O)c2ccc(NC(C)=O)cc2)c1 8058839 CXNHTSWGDOBMGJ-LJQANCHMSA-N 404.488 3.188 0 40 HGAB C[C@@H](NC(=O)COC(=O)CCCCCN1C(=O)c2ccccc2C1=O)c1ccccc1 8410570 SGOIYBDPYMQKQY-QGZVFWFLSA-N 422.481 3.264 0 40 HGAB COc1ccc(C(=O)N2CCC(C)CC2)cc1S(=O)(=O)NCc1ccccc1 8476228 IAGCWMIVFWQDAY-UHFFFAOYSA-N 402.516 3.046 0 40 HGAB CC(=O)Nc1nonc1N1C(=N)S/C(=C\c2ccc(-c3ccc(F)cc3)o2)C1=O 8846368 NJQWJQRKWDYNFU-NCUFVCKSSA-N 413.390 3.483 0 40 HGAB COc1ccc(CN(C(=O)c2cccc(Cl)c2)[C@@H]2CCS(=O)(=O)C2)cc1OC 9454298 IGNJLSIOEMHMEY-QGZVFWFLSA-N 423.918 3.187 0 40 HGAB Cc1cccc(-c2nc3scc(CCNC(=O)C(=O)Nc4cccc(F)c4)n3n2)c1 9569084 DGVULVULYJYRSO-UHFFFAOYSA-N 423.473 3.203 0 40 HGAB O=C(N[C@@H]1CCOc2ccccc21)c1ccc(S(=O)(=O)NCc2ccco2)cc1 9834961 HNIRBNZMOJFILH-LJQANCHMSA-N 412.467 3.012 0 40 HGAB CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3cc(OC)c(OC)cc3s2)cc1 10253230 ALASRYZVCRLONP-UHFFFAOYSA-N 420.512 3.288 0 40 HGAB CCOc1ccc([C@@H]2c3c(-c4cc(C)ccc4O)n[nH]c3C(=O)N2CCO)cc1OC 11914086 VUPDBLWKSUFFJJ-JOCHJYFZSA-N 423.469 3.036 0 40 HGAB Cc1noc(C)c1C(=O)N(C[C@H]1CCCO1)c1nc2c(s1)CCc1c-2cnn1C 12146117 LOOWSQRJAROQML-CYBMUJFWSA-N 413.503 3.073 0 40 HGAB COc1ccc(-c2cc(CNC(=O)[C@H]3CC(=O)N(c4ccccc4)C3)no2)cc1OC 12639022 WWOFUSRKHMVZPG-INIZCTEOSA-N 421.453 3.028 0 40 HGAB CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H]2CCCC[C@H]2C(F)(F)F)c1 12765523 AKHYVLFCMAJLIW-OCCSQVGLSA-N 412.861 3.441 0 40 HGAB CC(=O)Nc1ccc(C(=O)[C@H](C)Sc2nnc(NC[C@H]3CCCO3)s2)cc1 12811706 JKYSXWHWHPHFKN-XHDPSFHLSA-N 406.533 3.451 0 40 HGAB Cc1ccc2nc(NC(=O)[C@@H]3CCCN3S(=O)(=O)c3ccccc3)sc2c1 12980369 YORGBPXKELJFMY-INIZCTEOSA-N 401.513 3.397 0 40 HGAB O=C(Cc1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 13137120 POKNNZAPJVBSKM-UHFFFAOYSA-N 413.326 3.069 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cc(C)cc(C)c3)C2)cc1 13595861 HDVNGXPZUUVFHK-KRWDZBQOSA-N 402.516 3.351 0 40 HGAB CS(=O)(=O)N(Cc1ccc(F)cc1)c1ccc(C(=O)NCc2ccccn2)cc1 13682352 NLYDWGJQDMJKSO-UHFFFAOYSA-N 413.474 3.117 0 40 HGAB CS(=O)(=O)N1CCC[C@@H](C(=O)Nc2nc3c(Cl)ccc(Cl)c3s2)C1 13790465 ALZZJHZKXPZSCR-MRVPVSSYSA-N 408.332 3.213 0 40 HGAB O=C(Nc1ccc2c(c1)OCO2)C1CCN(Cc2nc(-c3ccsc3)no2)CC1 14019676 SASBGKQSKGZTAL-UHFFFAOYSA-N 412.471 3.378 0 40 HGAB O=C(NCC(=O)N1CCN(Cc2cccc3ccccc23)CC1)c1ccc(F)cc1 14166951 MILNKURSCCJKDW-UHFFFAOYSA-N 405.473 3.053 0 40 HGAB C[C@@H](Oc1ccc(Br)cc1)c1nnc(SCC(=O)NC2CC2)n1C 17088787 JZHYAYILONPWME-SNVBAGLBSA-N 411.325 3.088 0 40 HGAB Nc1nc(COC(=O)c2ccc(F)cc2Br)nc(Nc2ccccc2)n1 17837415 HCNWWQVQZLYVHX-UHFFFAOYSA-N 418.226 3.456 0 40 HGAB Cc1nn(-c2ccccc2)c(C)c1CNC(=O)COc1ccc(N2CCCC2=O)cc1 18203189 QKVBHEHURCFQNT-UHFFFAOYSA-N 418.497 3.311 0 40 HGAB Cc1ccc2c(CC(=O)N3CC[C@@H](c4nc(-c5ncccn5)no4)C3)coc2c1C 19221700 JYFYWFJOINHWTF-OAHLLOKOSA-N 403.442 3.448 0 40 HGAB O=C(Nc1cccc(CCc2ccncc2)c1)[C@@H]1CC(=O)N(Cc2ccncc2)C1 19330641 CSFINTCEXZOALZ-OAQYLSRUSA-N 400.482 3.249 0 40 HGAB O=C(C1CCCC1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)CCN(Cc1ccccc1F)C2 19349398 SGXKOPMQMRRSAI-OAQYLSRUSA-N 424.520 3.321 0 40 HGAB CC(C)c1ncc(CN2CCN(c3ccccc3[C@H](O)c3ccccn3)CC2)cn1 19454082 QJVPZDVKTHIEEH-QHCPKHFHSA-N 403.530 3.399 0 40 HGAB CCc1cc(C(F)(F)F)n2nc([C@H]3CCCN3C(=O)c3cnc(C)cn3)cc2n1 19522312 RDKWEBNOWQYPRT-OAHLLOKOSA-N 404.396 3.386 0 40 HGAB COc1ccc(-c2nccnc2[C@@H]2CN(C(=O)C3CCN(C(C)C)CC3)CCO2)cc1 19693442 NECRYJMMKFJNIR-NRFANRHFSA-N 424.545 3.173 0 40 HGAB CCc1cc(C(=O)NC[C@H](c2ccc(C)cc2)N2CCOCC2)c2c(C)noc2n1 19714524 NDQSNSZEQMRFSZ-HXUWFJFHSA-N 408.502 3.205 0 40 HGAB Cc1sc2ncnc(N3CCC(C(=O)N[C@H](C)CN4CCCC4)CC3)c2c1C 19716467 HWYXNELQLNDERI-CQSZACIVSA-N 401.580 3.125 0 40 HGAB Cc1ccc(N([C@@H](C)C(=O)NCc2ccc(OC(C)C)cc2)S(C)(=O)=O)cc1 20110338 ROTCFBIDAFUBIU-KRWDZBQOSA-N 404.532 3.253 0 40 HGAB CCOC(=O)c1ccc(NC(=O)[C@H](C)N(c2ccccc2)S(C)(=O)=O)cc1Cl 20451206 CWEVXYRZKAIWET-ZDUSSCGKSA-N 424.906 3.310 0 40 HGAB COc1cccc2c([C@H](C(=O)O)N3CCN(c4ccc(C(C)=O)cc4)CC3)c[nH]c12 20745967 NUSVVQGFLMQNPF-JOCHJYFZSA-N 407.470 3.327 0 40 HGAB Cc1cc(C)n2nc(C(=O)O[C@H](C)C(=O)Nc3nc(-c4ccccc4)cs3)nc2n1 20818539 KPAOWVHILHCODB-CYBMUJFWSA-N 422.470 3.049 0 40 HGAB COc1ccc([C@H]2CCCN2Cc2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 21581081 XUNFPXXHAOYLGK-JOCHJYFZSA-N 416.543 3.053 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)COc2c(C)cccc2C)cc1 22227181 AUCNGPVAQMMNDS-UHFFFAOYSA-N 418.559 3.072 0 40 HGAB COc1ccccc1N(CC(=O)N[C@@H](CC(C)C)c1ccccc1)S(C)(=O)=O 22511522 YFODXQGOUFOEEP-SFHVURJKSA-N 404.532 3.365 0 40 HGAB O=C(CN1CCN(Cc2nc3ccccc3s2)CC1)N1CCC(c2ccccc2)=N1 22782383 DVFGGAJVRHULOG-UHFFFAOYSA-N 419.554 3.051 0 40 HGAB COc1ccc(Cn2nnnc2[C@H](C(C)C)N2CCN(C3CCCCC3)CC2)cc1 22929432 DSVONBMUUUPUAR-QFIPXVFZSA-N 412.582 3.377 0 40 HGAB CSCC[C@@H]1NC(=O)N(CN2CCc3sccc3[C@@H]2c2cccs2)C1=O 23846646 LFHAOFCCCYHKFQ-XJKSGUPXSA-N 407.586 3.388 0 40 HGAB O=C(COc1ccc2ccccc2c1)N1CCC(NS(=O)(=O)c2ccccc2)CC1 25894031 YJMXKQZJRJJKJB-UHFFFAOYSA-N 424.522 3.188 0 40 HGAB COCCNC(=O)c1cc2cc(N(C)S(=O)(=O)c3ccc(F)cc3)ccc2s1 28209042 RQCXFEVNZYSKKN-UHFFFAOYSA-N 422.503 3.242 0 40 HGAB O=C(CCCn1cnc2ccccc2c1=O)N1CCC(c2nc3ccccc3[nH]2)CC1 28937480 JQGBBONYAHIEDN-UHFFFAOYSA-N 415.497 3.459 0 40 HGAB COc1ccccc1[C@@H](NC(=O)N[C@@H](C)c1ccc2c(c1)OCO2)c1nccn1C 32802539 HKWAXMIYQIZRFV-VBKZILBWSA-N 408.458 3.307 0 40 HGAB CC(=O)Nc1cc(-c2csc(C)n2)ccc1OCC(=O)Nc1ccc(C(N)=O)cc1 32814323 JWVFULNMXXIGMX-UHFFFAOYSA-N 424.482 3.193 0 40 HGAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 33771122 REWIFXSSLQPMSG-LLVKDONJSA-N 402.394 3.020 0 40 HGAB C[C@@H]1CCCN(Cc2ccccc2CNC(=O)c2cccc(CS(C)(=O)=O)c2)C1 40107129 QHUDVLHGBNRCOV-GOSISDBHSA-N 414.571 3.393 0 40 HGAB CC[C@H](NC(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(C)ccc2O1)c1ccc(C)cc1 44935931 YITLKFNCANECAG-PXNSSMCTSA-N 402.516 3.098 0 40 HGAB O=C(NC[C@H]1CCCO1)Nc1ccc(NC(=O)c2ccccc2-n2cccn2)cc1 46918381 HMYWMIAXQJUBAW-GOSISDBHSA-N 405.458 3.425 0 40 HGAB CCCCn1c(=O)c2sccc2n(CC(=O)N[C@@H](C)CCc2ccccc2)c1=O 57427237 OQNBHVGKYJCCAC-INIZCTEOSA-N 413.543 3.162 0 40 HGAB Cc1cccc(N(C)C(=O)Cn2c(=O)n(-c3cccc(C)c3)c(=O)c3sccc32)c1 57490192 GEZPJAVKUAHBOE-UHFFFAOYSA-N 419.506 3.494 0 40 HGAB CSc1sc(NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)nc1C 58098147 QITCPCPUCQITDJ-UHFFFAOYSA-N 405.954 3.086 0 40 HGAB CN1CCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)[C@H](c2ccccc2)C1 58625978 QNVMZGVNVVEUEV-KRWDZBQOSA-N 400.422 3.263 0 40 HGAB COCCn1ccc2c(NC(=O)CN3CC(=O)Oc4ccc(Cl)cc43)cccc21 71284787 GACWNISMROTLTP-UHFFFAOYSA-N 413.861 3.305 0 40 HGAB Cc1cc(-c2cnc(N3CCCC3)nc2C2CCN(C(=O)c3ccccn3)CC2)on1 72335871 DUEGGNMZTWOJMP-UHFFFAOYSA-N 418.501 3.455 0 40 HGAB O=S(=O)(/C=C/c1ccccc1)NC1CCN(CCOc2ccc(F)cc2)CC1 79062401 ZCQYRWDVBYYRKV-SFQUDFHCSA-N 404.507 3.259 0 40 HGAB COc1ccc(I)cc1OS(=O)(=O)c1ccc(C)cc1 82046884 CILUAUBMRJYLHN-UHFFFAOYSA-N 404.225 3.376 0 40 HGAB CCN(Cc1cccc(F)c1)C(=O)CN(CCO)c1ccc(Br)cc1 89969269 IGZXMVJUAHCVFM-UHFFFAOYSA-N 409.299 3.436 0 40 HGAB CCN(C(=O)Nc1ccc(OCc2ccccn2)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 95983852 MTXCOVAAQYOFBE-MRXNPFEDSA-N 423.922 3.355 0 40 HGAB CC[C@H](CO)NC(=O)c1cnc(-c2noc3cc(N4CCCCC4)ccc23)s1 96154642 PNEMSVUAGIQBMG-CYBMUJFWSA-N 400.504 3.442 0 40 HGAB Cc1cccc(NC(=O)CN2N=N[C@@H]3C(=O)N(c4ccc(C(C)C)cc4)C(=O)[C@H]32)c1 100036868 YNXOMGWSCCGCTE-PMACEKPBSA-N 405.458 3.050 0 40 HGAB C[C@@H](C(=O)Nc1cccc(CN2CCCCCC2)c1)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 100774051 RXUXNJCGZSDXMR-WFLKQGPQSA-N 421.541 3.197 0 40 HGAB C[C@H](NC(=O)c1ccccc1)c1nnc(SCC(=O)N[C@H]2CCCC[C@H]2C)n1C 102958485 RVIDMHALPSSIEO-VYDXJSESSA-N 415.563 3.093 0 40 HGAB CC[C@@H](C(=O)NCCN(C)c1ccccc1)N(c1ccc(C)c(C)c1)S(C)(=O)=O 219122903 IGRNCTIZNBBKIZ-NRFANRHFSA-N 417.575 3.101 0 40 HGAB COc1ccc(OC)c(N([C@H](C)C(=O)Nc2ccc(Cl)cc2)S(C)(=O)=O)c1 220207064 XCSVPGBQSKUFDQ-GFCCVEGCSA-N 412.895 3.150 0 40 HGAB CCOc1ccccc1NS(=O)(=O)c1nnc(NC(=O)c2ccccc2C)s1 224426527 TWDXSHIQQWQYFY-UHFFFAOYSA-N 418.500 3.298 0 40 HGAB COc1cccc(N(CC(=O)O)S(=O)(=O)c2ccc(OC)c(Cl)c2Cl)c1 224615755 GQAJAQUQKXRRTQ-UHFFFAOYSA-N 420.270 3.291 0 40 HGAB Cc1ccc(CCCNC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 225477824 AAURWLZJVJDEQM-UHFFFAOYSA-N 414.571 3.453 0 40 HGAB COC(=O)c1ccc(C(=O)NC2CCN(c3cc(-c4cccs4)[nH]n3)CC2)cc1 225755408 ALEXSZMOFKRTSQ-UHFFFAOYSA-N 410.499 3.324 0 40 HGAB CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCSc1ccccc1 225763891 WGPNUUGIQRQPKY-LJQANCHMSA-N 422.572 3.148 0 40 HGAB O=C(NCCSc1ncn[nH]1)[C@@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 225909958 YBOCRIAWUCNVPE-GFCCVEGCSA-N 414.362 3.232 0 40 HGAB Cc1nc(CNC(=O)[C@H](C)Oc2nn(-c3ccccc3)cc2Br)cs1 227159920 VLHLHJJUPIZSBP-NSHDSACASA-N 421.320 3.483 0 40 HGAB CC(C)[C@@H]1C[C@@]2(CO[C@H]1c1ccccc1)CN(C(=O)CCc1ccnn1C)CCO2 257233375 GPAVKMDZWKARHA-XWGVYQGASA-N 411.546 3.384 0 40 HGAB COc1cccc(Cc2cccc([C@@H]3CN(C(=O)Cc4ccccn4)CCO3)n2)c1 257252493 JUZLQYRVJKMWJJ-QHCPKHFHSA-N 403.482 3.219 0 40 HGAB COc1ccccc1-c1ccc2c([C@@H]3CN(C(=O)c4ccco4)CCN3C)nnn2c1 306134738 NWTNULSAFMFQKR-IBGZPJMESA-N 417.469 3.127 0 40 HGAB O=C(NCCO)c1nc(-c2ccc(Cl)cc2)n(-c2ccc(Br)cc2)n1 408692011 BFXWCSNVGSPDMO-UHFFFAOYSA-N 421.682 3.072 0 40 HGAB CCS(=O)(=O)N(CC(=O)Nc1cc(Cl)ccc1C)c1ccc2c(c1)OCCO2 408705274 AXVQIJZOKWOHLV-UHFFFAOYSA-N 424.906 3.214 0 40 HGAB COC(=O)C(=Cc1cc(Cl)ccc1OCC(=O)Nc1ccccc1)C(=O)OC 409039687 DAJXOWZGVXSQFP-UHFFFAOYSA-N 403.818 3.087 0 40 HGAB COCCN1C(=O)S/C(=C/c2cc(Cl)c(OCC(=O)OC)c(Cl)c2)C1=O 409139527 BFUZWICASWVBIB-KPKJPENVSA-N 420.270 3.228 0 40 HGAB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NC(C)C)c1cc(C)cc(C)c1 409390974 ZNBZAIAAOYHFDN-UHFFFAOYSA-N 404.532 3.340 0 40 HGAB COc1ccc(C)cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(F)cc2)C1 409392338 RJCPOTAOGZVMFS-OAHLLOKOSA-N 406.479 3.182 0 40 HGAB CNS(=O)(=O)c1cccc2c1CCN(C(=O)C1(c3ccccc3F)CCCC1)C2 552368472 HOPTUGZONHAHRZ-UHFFFAOYSA-N 416.518 3.131 0 40 HGAB CC1(C)CN(C(=O)c2ccc3nnnn3c2)C[C@@H](c2cccc(C(F)(F)F)c2)O1 580852235 RTMIYDUXQNOLEB-HNNXBMFYSA-N 405.380 3.135 0 40 HGAB COc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC(C)C)ccc1OC(=O)c1ccco1 913336 XXQJISKGAOWPQR-SFHVURJKSA-N 414.414 3.087 0 40 HGAB C[C@](O)(CS(=O)(=O)Cc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1 1388611 RYXPMVVFTVNCTN-KRWDZBQOSA-N 402.299 3.298 0 40 HGAB CCOc1ccc(CN(C)CC(=O)Nc2ccc3c(c2)OC(F)(F)O3)cc1OC 2659154 MYLNVZQGLDMAEX-UHFFFAOYSA-N 408.401 3.486 0 40 HGAB C[C@@]1(C2CC2)NC(=O)N(CC(=O)NCCC(c2ccccc2)c2ccccc2)C1=O 3443930 AAGXCFDEQSRRCK-DEOSSOPVSA-N 405.498 3.045 0 40 HGAB CCCOC(=O)c1ccc(N2C[C@@H](C(=O)OCC(=O)c3ccc(C)cc3)CC2=O)cc1 4610575 RNGSCRDGUVZLKT-IBGZPJMESA-N 423.465 3.341 0 40 HGAB CC(=O)Nc1ccc(NC(=O)c2ccc(C)c(N3CCCCS3(=O)=O)c2)cc1 5135922 OVLRLOOXXGSYGI-UHFFFAOYSA-N 401.488 3.136 0 40 HGAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)COC(=O)c1ccc2ccccc2c1O 5169975 BXVAKTSOXPKJHU-AWEZNQCLSA-N 404.422 3.466 0 40 HGAB CCOc1ccccc1N1CCN(C(=O)CSc2ccc3c(c2)OCCO3)CC1 6250694 VTTICPJUCRNSQZ-UHFFFAOYSA-N 414.527 3.297 0 40 HGAB CCc1ccccc1NC(=O)CNC(=O)CNC(=O)c1ccc(-c2ccccc2)cc1 6882190 FHUDOQTWGJSYNQ-UHFFFAOYSA-N 415.493 3.401 0 40 HGAB COc1ccc(CNC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccccc2)cc1OC 8112119 JTQODLHRQUAQDS-OAQYLSRUSA-N 418.493 3.361 0 40 HGAB COc1ccc(-c2noc(CN3C(=O)N[C@@]4(CCCc5sccc54)C3=O)n2)cc1 8315388 KLVWZUNHYBPYAT-HXUWFJFHSA-N 410.455 3.090 0 40 HGAB COc1ccc(S(=O)(=O)Nc2ccc3c(c2)CN(C(=O)C2CC2)CC3)cc1Cl 8977416 XXWQQKMYHSMWFY-UHFFFAOYSA-N 420.918 3.444 0 40 HGAB O=C1N[C@@H](c2cccc(O)c2)[C@H](C(=O)c2ccc(Cl)cc2)[C@](O)(C(F)(F)F)N1 9130176 RDQLJCDEPOORFC-KEYYUXOJSA-N 414.767 3.150 0 40 HGAB Cc1ccccc1CS(=O)(=O)c1ncc(Cl)c(C(=O)NCc2ccccc2)n1 9206933 LSFMULFYNGKKDG-UHFFFAOYSA-N 415.902 3.342 0 40 HGAB COc1ccc(OC)c2sc(N(C[C@H]3CCCO3)C(=O)c3cc(C)on3)nc12 9206939 TYDDUHLIXVTAJS-GFCCVEGCSA-N 403.460 3.436 0 40 HGAB CCCCc1ccc(-n2nnnc2S[C@@H](C(=O)NC(=O)NC)c2ccccc2)cc1 9603438 IJUIYAUPDYNWKG-GOSISDBHSA-N 424.530 3.294 0 40 HGAB O=C(NCC(=O)N1CCC[C@H]1c1nc2ccccc2s1)c1ccc2c(c1)OCO2 9613898 MCAASYMXQCWKCS-HNNXBMFYSA-N 409.467 3.119 0 40 HGAB COc1ccc2nc(Nc3nc(CSc4nccc(C)n4)cc(=O)[nH]3)nc(C)c2c1 9939099 ZHAHAVZMRIIQJU-UHFFFAOYSA-N 421.486 3.164 0 40 HGAB Cc1ccc(-n2ncc3c(=O)n(NC(=O)c4ccccc4Br)cnc32)cc1 10251457 VAKILZHSQADPIQ-UHFFFAOYSA-N 424.258 3.037 0 40 HGAB CCOC(=O)c1ccc(C)c(NC(=O)CN(c2ccc(CC)cc2)S(C)(=O)=O)c1 10445025 JGXABAASBDFWFK-UHFFFAOYSA-N 418.515 3.139 0 40 HGAB Cc1nc(-c2ccccn2)sc1C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 10969215 WTWMONYPOOOSDT-GFCCVEGCSA-N 401.513 3.408 0 40 HGAB Cc1ccc(SCCC(=O)OCC(=O)NCCc2ccc3c(c2)OCCO3)cc1 11410718 DCNRDEAMULMPLA-UHFFFAOYSA-N 415.511 3.151 0 40 HGAB COc1ccc(NC(C)=O)cc1NC(=O)CCC(=O)N1CCC(c2ccccc2)=N1 11659444 SFCRUZZADBJLKV-UHFFFAOYSA-N 408.458 3.009 0 40 HGAB NS(=O)(=O)c1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)cc1 11922357 IQQAEBGSUTYYMW-UHFFFAOYSA-N 418.478 3.439 0 40 HGAB COc1cccc(CC(=O)N2CCC(c3cc(C(F)(F)F)n4ncnc4n3)CC2)c1 12188509 XESNRWRZRQNTCE-UHFFFAOYSA-N 419.407 3.100 0 40 HGAB COC[C@@H](C)NC(=O)c1ccccc1NS(=O)(=O)c1cccc(C(F)(F)F)c1 12521178 FFHWILADEIBDTJ-GFCCVEGCSA-N 416.421 3.271 0 40 HGAB O=C(Nc1ccccc1O)C1CCN(C(=O)[C@@H]2COc3ccc(Cl)cc3C2)CC1 12771569 LRMLLNWQBWWKQQ-INIZCTEOSA-N 414.889 3.474 0 40 HGAB COc1ccc2c(C)c(CCC(=O)N[C@H]3CCN(Cc4ccccc4)C3)c(=O)oc2c1 12808018 RLVJVAAKZFIWAJ-IBGZPJMESA-N 420.509 3.433 0 40 HGAB CCC(C)(C)[C@@H]1CCc2nc3ccccc3c(C(=O)OCCN3C(=O)CNC3=O)c2C1 12847729 FUOFNBUSVHLOMU-OAHLLOKOSA-N 423.513 3.485 0 40 HGAB CC(=O)Nc1cc(NC(C)=O)cc(C(=O)O[C@@H](C)C(=O)c2ccc(F)c(F)c2)c1 12866155 MVOPGXJUDGVLQD-JTQLQIEISA-N 404.369 3.310 0 40 HGAB C[C@@H](NC(=O)C[C@H](NC(N)=O)c1ccccc1Cl)c1ccc2c(c1)OCCO2 12950177 SLPPQRHHGRZSRZ-WBMJQRKESA-N 403.866 3.088 0 40 HGAB C[C@@H](Oc1ccccc1F)C(=O)NCCCn1nc(-c2ccc(F)cc2)ccc1=O 13802143 ZIVKEHNUTVPXDC-OAHLLOKOSA-N 413.424 3.162 0 40 HGAB CSc1nc2nc(C)c(CCC(=O)Nc3ccc4c(C)cc(=O)oc4c3)c(C)n2n1 14633494 YAFAWMJZGSUYDW-UHFFFAOYSA-N 423.498 3.449 0 40 HGAB O=C(c1ccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1)N1CCOCC1 15420854 IGDNTXBUTZAGJG-UHFFFAOYSA-N 415.298 3.267 0 40 HGAB CCN(c1ccc(C)cc1)S(=O)(=O)c1nnc(NC(=O)c2ccc(F)cc2)s1 15674598 KRMNHDNVAQGDGJ-UHFFFAOYSA-N 420.491 3.453 0 40 HGAB C[C@@H](NC(=O)OC(C)(C)C)c1nnc(S(=O)(=O)Cc2c(F)cccc2Cl)o1 15990456 FQOQCGKNGUIILU-SECBINFHSA-N 419.862 3.422 0 40 HGAB Cc1ncc(C(=O)N2CCCC2)c(CC2CCN(Cc3c[nH]nc3C(C)(C)C)CC2)n1 19757189 SNPYQACNATYCHB-UHFFFAOYSA-N 424.593 3.496 0 40 HGAB CCCNS(=O)(=O)c1ccc(OCC(=O)N[C@H]2CCCc3ccccc32)c(C)c1 20022185 YFSNCTPWANJNGB-FQEVSTJZSA-N 416.543 3.256 0 40 HGAB C[C@H](C(=O)N(C)C1CCCCC1)N1CCN(CC(=O)Nc2ccccc2Cl)CC1 22783051 MGVZGFYVAKNALH-QGZVFWFLSA-N 420.985 3.076 0 40 HGAB CCc1nc2sc([C@H](c3cccc(F)c3)N3CCC4(CC3)OCCO4)c(O)n2n1 22854073 DJMNAXBAAVCEPT-INIZCTEOSA-N 418.494 3.126 0 40 HGAB CC(=O)Nc1ccc(-c2csc(NC(=O)CCNC(=O)C(C)(C)C)n2)c(F)c1 23042585 MECUHHSFVJMXFQ-UHFFFAOYSA-N 406.483 3.399 0 40 HGAB C[C@H]1CN(C(=O)c2ccccc2NS(=O)(=O)c2ccc(Cl)s2)C[C@H](C)O1 23078224 OPAGWOZMFNGUMQ-RYUDHWBXSA-N 414.936 3.452 0 40 HGAB O=C(Cn1cccc(-c2nc(-c3ccc(Cl)cc3)no2)c1=O)NCc1ccco1 23126303 RSHYEXYCYPTHBG-UHFFFAOYSA-N 410.817 3.128 0 40 HGAB C[C@H](Sc1nc2ccccc2c(=O)n1CCCO)C(=O)N1c2ccccc2C[C@H]1C 23885247 ZLBPIKKIJUBGQD-CVEARBPZSA-N 423.538 3.237 0 40 HGAB COc1ccc(C(=O)N2CC[C@H](C)Sc3ccccc32)cc1S(=O)(=O)N(C)C 24585141 MURCZLUCIHRXJX-AWEZNQCLSA-N 420.556 3.477 0 40 HGAB O=C(Nc1ccncc1)C1CCN(C(=O)c2cnn(Cc3ccccc3Cl)c2)CC1 24702837 WEHYCIKDVRXEIQ-UHFFFAOYSA-N 423.904 3.471 0 40 HGAB O=S(=O)(c1ccc(SCc2nc(-c3ccccc3)no2)nc1)N1CCCC1 27429445 JBBFKMCKHCURRL-UHFFFAOYSA-N 402.501 3.208 0 40 HGAB CCCn1nnc(NCc2cc(Br)cc(Br)c2OC)n1 32617031 MPOCWWPEOCXGJP-UHFFFAOYSA-N 405.094 3.229 0 40 HGAB O=C(Cn1nnc(-c2ccccc2)n1)N1N=C(c2ccco2)C[C@@H]1c1cccs1 32668381 IXRDYKHUWMANKC-MRXNPFEDSA-N 404.455 3.373 0 40 HGAB Cc1cccc(C(=O)NCCC(=O)NCc2ccc(C(=O)N3CCCCC3)cc2)c1 32788343 PUZFAGHSPUYPLP-UHFFFAOYSA-N 407.514 3.057 0 40 HGAB O=S(=O)(c1ccccc1N1CCN(CCOc2ccccc2)CC1)C(F)(F)F 32809716 WCJMXICKVFHLEQ-UHFFFAOYSA-N 414.449 3.181 0 40 HGAB C[C@@H]1CN(C(=O)c2ccccc2NC(=O)c2cc3ccccc3c(=O)[nH]2)C[C@@H](C)O1 32909955 JPCUYSOGSCYXJM-HUUCEWRRSA-N 405.454 3.030 0 40 HGAB COc1ccc(-c2cc([C@H]3CN4CC[C@H]3C[C@@H]4CNCc3ccccn3)n(C)n2)cc1 35415785 WCHARQISNPPODC-WPYKKVEZSA-N 417.557 3.458 0 40 HGAB biogenic,in-vitro O=C(Nc1cccc(-c2ccc(N3CCOCC3)nn2)c1)c1cc(-c2ccco2)n[nH]1 38486344 JFIWMXILGRLWEZ-UHFFFAOYSA-N 416.441 3.216 0 40 HGAB O=C(Nc1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1)c1ccccn1 38678755 MMNDNYGFKVJBKT-HNNXBMFYSA-N 418.428 3.465 0 40 HGAB CCN(CC)[C@@H](CNC(=O)[C@@H]1CCCN(C(=O)c2ccoc2)C1)c1ccsc1 40089479 CMCOUZWKSZPNGS-APWZRJJASA-N 403.548 3.393 0 40 HGAB C[C@H]1CN(Cc2ccccc2NC(=O)NCc2ccc(-n3cccn3)nc2)C[C@H](C)O1 40145363 CXIBUNPMNGROPD-ROUUACIJSA-N 420.517 3.198 0 40 HGAB O=S(=O)(NCC1CCN(c2ccccn2)CC1)c1ccc(Br)s1 43955352 YCHZOEAGXNUVGA-UHFFFAOYSA-N 416.366 3.101 0 40 HGAB CC(=O)Nc1cc(-c2ccccc2)nn([C@@H](C)C(=O)Nc2ccc(C(C)=O)cc2)c1=O 46079164 NEPYWAMOXDEZJH-AWEZNQCLSA-N 418.453 3.271 0 40 HGAB COc1ccc(NC(=O)[C@H]2CCCN2C(=O)Nc2nnc(-c3ccccn3)s2)cc1 48356636 WLQZQSFSIUXSML-MRXNPFEDSA-N 424.486 3.244 0 40 HGAB CS(=O)(=O)c1ccc(NC(=O)[C@@H]2CCn3c(C(=O)c4ccccc4)ccc32)cc1 51364581 WKDDXVGJYXLGGP-GOSISDBHSA-N 408.479 3.249 0 40 HGAB Cc1c(C)n(C2CCCCC2)c2ncnc(OC3CCN(CC(=O)N(C)C)CC3)c12 72336007 TZMKYULGCARDBK-UHFFFAOYSA-N 413.566 3.485 0 40 HGAB O=C(C[C@@H](Cn1cnnn1)c1ccc(Cl)cc1)N1CCO[C@@H](c2ccccc2)C1 95472105 ZJUWZJFCRQSSEA-AZUAARDMSA-N 411.893 3.101 0 40 HGAB COc1cc2c(cc1OC)CC(=O)N(CC(=O)Nc1c(C)nn(C(C)C)c1C)C=C2 95474105 LGYWNTPASKTREE-UHFFFAOYSA-N 412.490 3.092 0 40 HGAB CC(C)NC(=O)C[C@H]1CC2(CCN(C(=O)C3CCOCC3)CC2)Oc2ccccc21 96053360 KIFOTWYXFQWWKC-IBGZPJMESA-N 414.546 3.255 0 40 HGAB O=C1[C@@H]2C[C@@H](CN2C(=O)c2ccc(F)cc2)Oc2ccccc2N1Cc1cccnc1 96111654 RCSHEXXUEZLFDC-FPOVZHCZSA-N 417.440 3.430 0 40 HGAB biogenic,in-vitro Cc1noc(C)c1C(=O)N1Cc2ccccc2C2(CCN(C3CCOCC3)CC2)C1 96242472 CTMYMTCIRGBXJC-UHFFFAOYSA-N 409.530 3.460 0 40 HGAB O=C1N[C@@]2(C[C@H]3CC[C@H]2C[C@@H]3C(=O)NCCc2ccc(F)cc2)Nc2ccccc21 100117776 SUQZWPIWSCNABN-UDABPDOUSA-N 407.489 3.472 0 40 HGAB CCCc1cc(=O)oc2cc(C)cc(OCC(=O)NC[C@H]3CC[C@H](C(=O)O)CC3)c12 100765274 HHKTXOYKEWXTQP-IYBDPMFKSA-N 415.486 3.440 0 40 HGAB CC(=O)N(CN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O)c1cccc(C(F)(F)F)c1 101418411 AMEPTHAOWIUPIS-KKFZBWNWSA-N 404.388 3.069 0 40 HGAB O=C(CC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)OCc1nc2sc3c(c2c(=O)[nH]1)CCC3 104176193 NQLKTQZWYYVQLX-JXKJVBJKSA-N 414.527 3.238 0 40 HGAB Cc1ccc(OC[C@H](C)NC(=O)CCCN(c2ccccc2)S(C)(=O)=O)cc1 219174369 UOYOPYVYJBLROG-SFHVURJKSA-N 404.532 3.125 0 40 HGAB C[C@@H](C(=O)N1CCc2ccccc21)N(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 220200127 XRGRLWNZBSRPRV-ZDUSSCGKSA-N 412.433 3.449 0 40 HGAB Cc1ccc(C)c(N([C@@H](C)C(=O)NCCOc2cccc(C)c2C)S(C)(=O)=O)c1 223926736 AGQIRTNKKIEHAA-IBGZPJMESA-N 418.559 3.270 0 40 HGAB Cc1cc(C)cc(OCCNC(=O)CN(c2cccc(Cl)c2C)S(C)(=O)=O)c1 224064671 XOBLKHPXYIEPMC-UHFFFAOYSA-N 424.950 3.226 0 40 HGAB COC(=O)c1ccc(C)c(S(=O)(=O)Nc2nnc(-c3ccc(OC)cc3)s2)c1 225026601 LWRWUHHGNWCCBS-UHFFFAOYSA-N 419.484 3.110 0 40 HGAB O=C(NC1CCN(Cc2ccccc2)CC1)c1ccnc(OCC2CCOCC2)c1 239593082 DOBHZUPNLJDUPE-UHFFFAOYSA-N 409.530 3.281 0 40 HGAB Cc1cnccc1-c1cn(C)nc1-c1cccc(Cn2cc(C(=O)O)ccc2=O)c1 257203148 AOWMMBNZBPJLQO-UHFFFAOYSA-N 400.438 3.366 0 40 HGAB COCC(=O)NC[C@H]1CC[C@H](c2nc(N3CCCC3)ncc2-c2ccncc2)CC1 257218255 DCKHUAXPEKDYFQ-UAPYVXQJSA-N 409.534 3.175 0 40 HGAB C[C@@]12CC[C@@H](C[C@@H]1C(=O)N1CCCC[C@H]1CCO)[C@]1(C2)NC(=O)c2ccccc2N1 257221728 DQGYHOBVUSZNOZ-OCAKCSDDSA-N 411.546 3.128 0 40 HGAB COc1c(C)cccc1CN1CCC[C@H](c2nn(CCNC(C)=O)c3ncccc23)C1 257243401 IGUQCKGJSXTZGK-IBGZPJMESA-N 421.545 3.264 0 40 HGAB CCc1ccc(N([C@H](C)C(=O)NCCOc2cccc(C)c2C)S(C)(=O)=O)cc1 260943141 UIRPGXJVTYZGJK-GOSISDBHSA-N 418.559 3.216 0 40 HGAB COc1ccc(NC(=O)c2nnc3n2C[C@@H]2CN(Cc4ccc(C)s4)C[C@@H]2C3)cc1 306142679 XGGQXCZGKZNZGJ-HOTGVXAUSA-N 423.542 3.213 0 40 HGAB CCOC(=O)Nc1cc(S(=O)(=O)NCc2ccccc2OC)ccc1OCC 408588063 WWENIOQATSYBKM-UHFFFAOYSA-N 408.476 3.141 0 40 HGAB CC(C)(C)c1ccc(C2(C(=O)NCCN3CCS(=O)(=O)CC3)CCCCC2)cc1 588850254 DYHUKHPZNGSWGT-UHFFFAOYSA-N 420.619 3.033 0 40 HGAB Cn1c(=O)c2ccc(NC(=O)c3cc(-c4ccccn4)ccc3Cl)cc2n(C)c1=O 1617172234 SSSFJVQDBGJORZ-UHFFFAOYSA-N 420.856 3.205 0 40 HGAB Cc1nc(C(C)(C)C)nc(OCC2CCN(c3ncnc4ncn(C)c34)CC2)c1C 1888909660 YTDFTBIWXYPRQU-UHFFFAOYSA-N 409.538 3.363 0 40 HGAB CC(=O)N[C@H](Cc1cccc(F)c1)C(=O)Oc1ccc2c3c(c(=O)oc2c1)CCC3 627701 IEKCOQPRTAJUMI-HXUWFJFHSA-N 409.413 3.074 0 40 HGAB biogenic CCn1c(COc2cccc(OC)c2)nnc1SCC(=O)Nc1nc(C)cs1 929230 XSMSAXPXRLVDLO-UHFFFAOYSA-N 419.532 3.381 0 40 HGAB Cc1ccc(C(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(C(=O)OC(C)C)cc3)C2)cc1 993281 HLIDQPBHUHAZRQ-LJQANCHMSA-N 423.465 3.339 0 40 HGAB COC(=O)CSc1nnc(CNC(=O)c2cccc(C)c2)n1-c1cc(C)ccc1C 2724072 ODMQATBIVZJWEH-UHFFFAOYSA-N 424.526 3.388 0 40 HGAB O=C(COC(=O)c1ccc(N2CCCC2=O)cc1)Nc1ccccc1OC(F)F 3284499 VVMOKWMFCVDUOQ-UHFFFAOYSA-N 404.369 3.210 0 40 HGAB NC(=O)c1c(NC(=O)COC(=O)/C=C/c2ccc(F)cc2)sc2c1CCCC2 3321740 LDFFGMPSAJFHIH-JXMROGBWSA-N 402.447 3.060 0 40 HGAB O=C(c1ccncc1)N(c1ccc2oc(=O)sc2c1)S(=O)(=O)c1cccs1 3654009 TXJRBHZSQMPBRL-UHFFFAOYSA-N 418.477 3.347 0 40 HGAB CCCCOc1ccc(NC(=O)[C@H]2O[C@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@H]23)cc1 4177253 BCTINLARZZWKRE-CBNQQXHVSA-N 421.490 3.201 0 40 HGAB COc1ccc(C)cc1-n1nnnc1S[C@@H](C)C(=O)NCCC1=CCCCC1 4997762 GROCQIZQFYHZHO-HNNXBMFYSA-N 401.536 3.467 0 40 HGAB CN(CC(=O)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2)Cc1ccco1 6551954 OGKKJEQAYZCJJZ-UHFFFAOYSA-N 407.426 3.331 0 40 HGAB CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)CSc1n[nH]c(N)n1 6605846 IRVUNVIFLXDYCX-UHFFFAOYSA-N 417.516 3.331 0 40 HGAB COc1ccc(NC(=O)c2cccc(S(=O)(=O)N(C)c3ccc(C)cc3)c2)cn1 6786973 XCYZLLAAMHPNLT-UHFFFAOYSA-N 411.483 3.476 0 40 HGAB CCOc1ccc(NC(=O)COc2ccc(C(=S)N3CCOCC3)cc2)cc1 6963068 LWFOLTCJRONFBJ-UHFFFAOYSA-N 400.500 3.111 0 40 HGAB COc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccc(C)cc4C)ccn3n2)cc1 7615966 IXFBONMMMWDAQI-UHFFFAOYSA-N 402.454 3.427 0 40 HGAB Cc1cc(C(=O)CN2C(=O)N[C@@H](Cc3ccccc3)C2=O)c(C)n1Cc1ccccc1 8132811 BHCZNTCIKKBOAN-QFIPXVFZSA-N 415.493 3.499 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(C)c(NS(=O)(=O)c2cccc(C(C)=O)c2)c1 9493908 JCKOBTFESSQYGK-UHFFFAOYSA-N 424.544 3.029 0 40 HGAB O=C(CSc1nnc(NC(=O)c2ccc3c(c2)OCO3)s1)NC1CCCCC1 9599969 MWVMZICFLJDQTE-UHFFFAOYSA-N 420.516 3.060 0 40 HGAB NC(=O)c1nc(-c2ccc(Cl)cc2Cl)nc2c1[nH]c(=O)n2-c1ccccc1F 9738870 GWZPZYRADIOSRS-UHFFFAOYSA-N 418.215 3.321 0 40 HGAB O=C(OCc1cc(=O)n2c3c(sc2n1)CCCC3)c1cncn1-c1ccc(F)cc1 9960568 MSELNKKUAYGNDG-UHFFFAOYSA-N 424.457 3.317 0 40 HGAB O=C(CSc1nc(=O)n(Cc2ccco2)c2c1CCC2)Nc1ccc(F)c(F)c1 10186679 LGCHRMHZVJWQPB-UHFFFAOYSA-N 417.437 3.382 0 40 HGAB CCn1c(N2CCC[C@H](C(=O)NCc3nc4ccccc4[nH]3)C2)nc2ccccc21 12145842 RHTVGCOMCXTNLU-INIZCTEOSA-N 402.502 3.465 0 40 HGAB CC[C@H]1Oc2ccc(C(=O)c3ccco3)cc2N(CC(=O)NCc2cccs2)C1=O 12241981 SHXCLXARAWHQNW-QGZVFWFLSA-N 424.478 3.393 0 40 HGAB COc1ccc(N2C[C@H](C(=O)Nc3ccc4c(c3)OCCO4)CC2=O)cc1Cl 12408323 SCUKNKWFTZLERE-GFCCVEGCSA-N 402.834 3.111 0 40 HGAB COc1ccc(CNC(=O)[C@H]2CCCN(c3cnc4ccccc4n3)C2)cc1OC 12414696 NMDCARIENXJTNA-KRWDZBQOSA-N 406.486 3.180 0 40 HGAB CCCCNc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)[C@H]1CC=CCC1 12522875 LXKADXAZAVYPQP-KRWDZBQOSA-N 421.563 3.214 0 40 HGAB COc1c2c(cc3c1[C@H](C[C@@H](O)CCc1ccc4c(c1)OCO4)N(C)CC3)OCO2 12661582 SDGLWTATVZQCPU-IRXDYDNUSA-N 413.470 3.065 0 40 HGAB biogenic O=C(NCc1coc(-c2cccs2)n1)c1cccc(S(=O)(=O)N2CCCC2)c1 12803157 HOLIOWQMGVEMMI-UHFFFAOYSA-N 417.512 3.118 0 40 HGAB C[C@@H]1C(=O)N(C[C@H](O)COc2ccc(Br)cc2)C(=O)N1c1ccccc1 12846001 HZNVWPPGXNKQSD-CJNGLKHVSA-N 419.275 3.046 0 40 HGAB COc1ccc(Br)cc1CN(C)Cn1nc(-c2cccs2)oc1=O 12935793 KZQAEVRGVVVECY-UHFFFAOYSA-N 410.293 3.425 0 40 HGAB COc1ccc(CN(Cc2ccncc2)Cc2ccc3c(c2)n(C)c(=O)n3C)cc1 13570260 PHGOYCMXXTTZJU-UHFFFAOYSA-N 402.498 3.483 0 40 HGAB CCS(=O)(=O)N1C[C@@H](C(=O)Nc2ccc(C(F)(F)F)cc2)Oc2ccccc21 13680031 VJWZOJCSQAUUOH-INIZCTEOSA-N 414.405 3.261 0 40 HGAB O=C(COc1ccc2cc(-c3cc(F)cc(F)c3)c(=O)oc2c1)N1CCC[C@H]1CO 13692558 KRUOTCCPOOKBRC-KRWDZBQOSA-N 415.392 3.100 0 40 HGAB O=C(Cn1c(=O)n(Cc2ccc(F)cc2)c(=O)c2ccccc21)Nc1ccccc1F 13992351 UWBCSEJWTAEKPV-UHFFFAOYSA-N 421.403 3.128 0 40 HGAB O=C(Nc1ccccc1C(=O)O)c1cc(S(=O)(=O)Nc2cccc(O)c2)cs1 13996909 XBHXZNDDVDDFJH-UHFFFAOYSA-N 418.452 3.205 0 40 HGAB C[C@H](C(=O)N(C)CC1CCN(CCc2cccc(C(F)(F)F)c2)CC1)n1cncn1 15071336 FGWLFUBMZBTAFD-MRXNPFEDSA-N 423.483 3.271 0 40 HGAB COc1ccc(/C=C/C(=O)N[C@@H](C)C(=O)OCc2cc(=O)oc3cc(C)ccc23)cc1 15747444 NWRWIFTYCBBZNI-BPLPYTOXSA-N 421.449 3.371 0 40 HGAB COc1ccc(NC(=O)C2CCC(Cn3c(=O)[nH]c4ccccc4c3=O)CC2)cc1 17028381 XUNHHRGTYOXRJG-UHFFFAOYSA-N 407.470 3.144 0 40 HGAB CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)[C@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C(=O)O 17090276 CULPHZBOVMVYRW-FSDCSDTHSA-N 415.467 3.409 0 40 HGAB CNS(=O)(=O)c1cc(C(=O)Nc2cccc(-c3csc(C)n3)c2)ccc1OC 18824519 XEAKNRMQSHQWCU-UHFFFAOYSA-N 417.512 3.288 0 40 HGAB CC(C)(C)C(=O)N1CCO[C@@](Cc2cccc(-c3ccncc3)c2)(C(=O)NC2CC2)C1 19081490 WKYQHXUHQLKORK-RUZDIDTESA-N 421.541 3.213 0 40 HGAB CN(C)c1ncc(-c2cnn(C)c2)c([C@H]2CCCN(C(=O)CCc3ccccc3)C2)n1 19694830 JVORQSHSYKTQOS-IBGZPJMESA-N 418.545 3.282 0 40 HGAB CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(N3CCCC3=O)c(C)c2)cc1 20107246 GJAGZFOQGWLMGV-UHFFFAOYSA-N 402.472 3.099 0 40 HGAB Cc1cc(C)cc(N(CC(=O)N[C@H]2CC(C)(C)Oc3ccccc32)S(C)(=O)=O)c1 22329154 WVZRLFPHIDCVAY-IBGZPJMESA-N 416.543 3.488 0 40 HGAB CN1CCN([C@@H](CNC(=O)COc2ccc3ccccc3c2)c2ccc(F)cc2)CC1 22794737 XSAWFSPCZMMJQF-DEOSSOPVSA-N 421.516 3.463 0 40 HGAB COc1cc(CCNC(=O)[C@@H]2CC(=O)N(c3ccccc3F)C2)ccc1OC(F)F 23953192 QZAFJRICZROHKY-CQSZACIVSA-N 422.403 3.148 0 40 HGAB Cc1cccc(NC(=O)CN(C)C(=O)[C@@H]2CC(=O)N(c3cccc(C)c3C)C2)c1C 24738118 UOMZEUZXOPXNTP-LJQANCHMSA-N 407.514 3.370 0 40 HGAB C[C@H](C(=O)NCC(C)(c1ccccc1)c1ccccc1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 32789000 GDXPUSCZEHSYES-COPCDDAFSA-N 416.521 3.449 0 40 HGAB O=C(NCCN1CCc2ccccc2C1)c1cn(-c2ccccc2C(F)(F)F)nn1 32817026 CQSXHRMOOZDOSM-UHFFFAOYSA-N 415.419 3.074 0 40 HGAB COc1cc(CS(=O)(=O)[C@@H](C)C(=O)NCC2CCCCC2)ccc1OC(F)F 32929809 DHMPHQWORGOFBM-ZDUSSCGKSA-N 419.490 3.296 0 40 HGAB O=S(=O)(/C=C\c1ccccc1)N1CCN(c2ccc(-c3ccccc3)nn2)CC1 36701788 IGGXLZCACHGMGJ-AQTBWJFISA-N 406.511 3.266 0 40 HGAB CN1CCN(Cc2ccccc2CNC(=O)Cc2ccc(Br)cc2)CC1 40089776 GPRPPTOKLFHYDT-UHFFFAOYSA-N 416.363 3.055 0 40 HGAB C[C@H]1CCCCN1Cc1ccc(CNC(=O)c2ccc(NS(C)(=O)=O)cc2)cc1 40106754 GDSXYUIMBLKSDA-KRWDZBQOSA-N 415.559 3.363 0 40 HGAB COC(=O)C1(NC(=O)[C@@H]2CCCN(c3ncccc3C(F)(F)F)C2)CCCCC1 40132526 RZUPIGTYJFWOQS-CQSZACIVSA-N 413.440 3.309 0 40 HGAB Cn1c([C@@H]2CCCCN2C(=O)C2CCN(c3ncccn3)CC2)nc2ccccc21 40156267 DYNOCKFUNZZXDH-FQEVSTJZSA-N 404.518 3.334 0 40 HGAB Cc1ccc(C)c([C@H](C)NC(=O)[C@H]2CCN(S(C)(=O)=O)c3ccccc3O2)c1 44905951 DKPQIWUPSKKILC-OXJNMPFZSA-N 402.516 3.098 0 40 HGAB Cc1nc(-c2ccccn2)cc(=O)n1CC(=O)Nc1ccc(Br)cc1F 49404789 ZINULWRZRHWXGP-UHFFFAOYSA-N 417.238 3.154 0 40 HGAB Cc1ccc(C(=O)NC2CCN(C(=O)c3cn(-c4cc(C)cc(C)c4)nn3)CC2)cc1 49406409 IYPFSCOSDNSHGF-UHFFFAOYSA-N 417.513 3.227 0 40 HGAB O=C(NC1CCN(C(=O)c2cc(-c3ccc(F)cc3)n[nH]2)CC1)c1cccc(F)c1 49406617 LEJDPZTZBIRAIK-UHFFFAOYSA-N 410.424 3.390 0 40 HGAB O=S(=O)(NC[C@H](c1ccco1)N1CCN(c2ccccc2)CC1)c1ccccc1 56946293 XNZDXSIBMWMRSY-OAQYLSRUSA-N 411.527 3.121 0 40 HGAB O=C(Nc1cccc(S(=O)(=O)C2CCCC2)c1)N1CCC[C@@H](N2CCCC2)C1 58268693 RNIBFJNPVVQZCL-GOSISDBHSA-N 405.564 3.495 0 40 HGAB CCCC(=O)N[C@H]1CCCN(C(=O)CSCc2coc(-c3ccccc3)n2)C1 58357280 RBALUYVHSGNQJW-KRWDZBQOSA-N 401.532 3.482 0 40 HGAB Cc1cc2nc(SCC(=O)Nc3cccnc3Cl)n(CC(C)C)c(=O)c2[nH]1 67239371 HKAFNEDEGBRIBL-UHFFFAOYSA-N 405.911 3.468 0 40 HGAB CC(=O)c1ccc(N2CCN(C(=O)c3n[nH]nc3Nc3cccc(Cl)c3)CC2)cc1 67284706 ULIFLGRGQUSLAM-UHFFFAOYSA-N 424.892 3.367 0 40 HGAB Cc1ccnc(Cl)c1NC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c1 72300848 ZUNYACHMJFFDDB-OKILXGFUSA-N 423.922 3.094 0 40 HGAB COc1ccc(CCC(=O)N2CCC[C@H](c3ccnc(Nc4ncccn4)n3)C2)cc1 72377879 SVCZYANMDUTVJQ-SFHVURJKSA-N 418.501 3.358 0 40 HGAB COc1cccc(CN2CCC[C@H](c3cc(=O)[nH]c(-c4ccncc4)n3)C2)c1OC 72392932 OTTCTUAOCBRXAR-KRWDZBQOSA-N 406.486 3.229 0 40 HGAB COc1cc(S(=O)(=O)Nc2cc(C3CCCCCC3)[nH]n2)cc(C(=O)O)c1OC 83921303 ZJAFDGGCKQUNID-UHFFFAOYSA-N 423.491 3.364 0 40 HGAB Cc1[nH]c2ccccc2c1C(=O)C(=O)NCc1cn2cc(Br)ccc2n1 95367623 HRYFSWFUOHJRKH-UHFFFAOYSA-N 411.259 3.386 0 40 HGAB CCC(=O)c1ccc(OCC(=O)Nc2cccc(CCN3CCN(C)CC3)c2)cc1 95457794 MLPIYMINTQDUIX-UHFFFAOYSA-N 409.530 3.087 0 40 HGAB Clc1cc(CCN2CCN(Cc3noc(C4CC4)n3)CC2)cc2c1OCCCO2 95987266 MPYSZLAZKVZEGW-UHFFFAOYSA-N 418.925 3.122 0 40 HGAB CN(C)CCNC(=O)C[C@H]1CC2(CCN(CC3CCOCC3)CC2)c2ccccc21 96052908 JOMDPGPNNKRXGK-NRFANRHFSA-N 413.606 3.002 0 40 HGAB CN1CCN(C(=O)C[C@@H]2CC3(CCN(C(=O)c4ccoc4)CC3)c3ccccc32)CC1 96242229 QJOOAQNKMCAZST-HXUWFJFHSA-N 421.541 3.105 0 40 HGAB CC(=O)N1C[C@H](c2ncn(C(C)C)n2)c2cc(C(=O)NCc3ccccc3)ccc21 96267763 FDSYRNZTWHVNRI-FQEVSTJZSA-N 403.486 3.287 0 40 HGAB COc1ccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@@H]5ON=C(c6ccc(C)cc6)[C@H]54)[C@H]3C2=O)cc1 100204514 QUTVFXKBAUWMRT-QLPDIPBASA-N 402.450 3.178 0 40 HGAB CCc1ccc(NC(=O)CN2N=N[C@H]3C(=O)N(c4ccc(C(C)C)cc4)C(=O)[C@H]32)cc1 101168483 SPUZIUGGDXHMRU-RTWAWAEBSA-N 419.485 3.304 0 40 HGAB O=C(CSC1=NN/C(=C2\C=Nc3ccccc32)O1)NC(=O)Nc1ccccc1F 104690628 WZIDHOZOHSFMTI-ATVHPVEESA-N 411.418 3.183 0 40 HGAB COC(=O)c1ccc(CN2C(=O)S/C(=C/c3cc(OC)ccc3OC)C2=O)o1 107827966 JBCXJRRFRMNZQL-CXUHLZMHSA-N 403.412 3.320 0 40 HGAB CCOc1ccc(N([C@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)S(C)(=O)=O)cc1 216372421 MWPYMHDSKBLMLY-LSDHHAIUSA-N 408.495 3.256 0 40 HGAB CCOC(=O)c1cccc(NC(=O)[C@H](CC)N(c2ccccc2)S(C)(=O)=O)c1C 219082939 OFFXCJNJAVUIKE-IBGZPJMESA-N 418.515 3.355 0 40 HGAB COc1ccc(Cl)cc1NC(=O)[C@@H](C)N(c1ccc(F)c(F)c1)S(C)(=O)=O 220447251 VONLJABACFMBII-SNVBAGLBSA-N 418.849 3.420 0 40 HGAB COC(=O)c1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCO)o2)cc1 223601191 BYWBINNCJHLXOD-WOJBJXKFSA-N 423.494 3.093 0 40 HGAB CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N1c2ccccc2C[C@@H]1C 223928719 HIWIZRTWVWNKIN-YWZLYKJASA-N 402.516 3.218 0 40 HGAB Cc1ccc(OCCNC(=O)CCCN(c2ccccc2)S(C)(=O)=O)c(C)c1 224625724 HBASCQUUCAYOJL-UHFFFAOYSA-N 404.532 3.045 0 40 HGAB O=C(NC[C@H]1CCCO1)c1ccccc1NC(=O)C1(c2ccccc2)CCOCC1 225079356 FMGRDCSYZXSCTE-LJQANCHMSA-N 408.498 3.282 0 40 HGAB CC(C)Oc1cccc(CNC(=S)Nc2cccc(N(C)S(C)(=O)=O)c2)c1 225523739 GYPQTTFUKMZMCS-UHFFFAOYSA-N 407.561 3.356 0 40 HGAB NS(=O)(=O)c1ccc(NC(=O)CCc2nc(-c3cccc4ccccc34)no2)cc1 225829139 NNQURPKIQRKFCZ-UHFFFAOYSA-N 422.466 3.109 0 40 HGAB COc1ccc(CNC(=S)Nc2nc(OC)cc(N3CCCC[C@@H]3C)n2)cc1 225929990 XWDSBXYHNVACKJ-AWEZNQCLSA-N 401.536 3.359 0 40 HGAB COc1ccccc1OC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)cc1 250392101 DTSMBWAPYBXECV-NEEVBFIGSA-N 415.445 3.472 0 40 HGAB Cc1nc([C@H]2CCN(C(=O)c3ccccc3)C2)nc(C)c1CC(=O)NC1CCCC1 257299535 RQLLDOJRQYLEGB-IBGZPJMESA-N 406.530 3.324 0 40 HGAB Cc1cnc(N2CC[C@@H](NC(=O)C(C)C)[C@]3(CCN(Cc4cccs4)C3)C2)nc1 306136050 PHNIALQQRMGAAE-KNQAVFIVSA-N 413.591 3.090 0 40 HGAB CCc1ccc(N(CC(=O)Nc2cccc(Br)c2)S(C)(=O)=O)cc1 409028451 MRECJZNIKJYHFW-UHFFFAOYSA-N 411.321 3.416 0 40 HGAB Cn1c(-c2cc(-c3ccccc3)nc3ccccc23)nnc1N1CC[C@@]2(CNC(=O)C2)C1 508523790 ZKYMZGIQEKKBEW-RUZDIDTESA-N 424.508 3.414 0 40 HGAB Cc1ccc(NC(=O)NC[C@@H]2CCCN(C(=O)N[C@H]3CCOC(C)(C)C3)C2)cc1 555144457 CBLGLRQNPMNBHF-HKUYNNGSSA-N 402.539 3.496 0 40 HGAB Cc1ccc(Br)c2c1N(C(=O)[C@@H]1CC13CCS(=O)(=O)CC3)CCC2 560088464 LAMVHGAWQQORDS-AWEZNQCLSA-N 412.349 3.252 0 40 HGAB COCCN(C[C@@H]1CCCN2CCCC[C@@H]12)C(=O)NCCc1ccc(OC)cc1 1565519479 ASLISZIYQIFXFJ-UNMCSNQZSA-N 403.567 3.160 0 40 HGAB biogenic C[C@@H](NC(=O)NCc1cnc(O)c2ccccc12)c1cccc(N2CCOC2=O)c1 1679363210 OZLHGQIJLRYLTP-CQSZACIVSA-N 406.442 3.457 0 40 HGAB Cc1ccc2c(c1)cc(CN(Cc1ccccc1)C(=O)c1cnccn1)c1nnnn12 1376918 YDGFNJGPEHIWBX-UHFFFAOYSA-N 409.453 3.219 0 40 HGAB CCOC(=O)[C@@H]1C(=O)NC(c2ccccc2)=N[C@H]1c1ccc(Br)cc1 1404399 CEQPDYMVXMLBRY-HOTGVXAUSA-N 401.260 3.246 0 40 HGAB COc1cc2c(cc1NC(=O)Cn1nnc3ccccc3c1=O)oc1ccccc12 2652238 AFHVGERVTZSWRW-UHFFFAOYSA-N 400.394 3.338 0 40 HGAB Cn1ncc2c1ncn1nc(-c3cnn4c3N[C@@H](c3ccccc3)C[C@@H]4C(F)F)nc21 2802384 QQDBQJICHLZLLF-HUUCEWRRSA-N 421.415 3.238 0 40 HGAB Cc1cc(C(=O)COC(=O)[C@H](CC(C)C)NC(N)=O)c(C)n1Cc1cccs1 3360815 YWGOHBCQSAQUPA-KRWDZBQOSA-N 405.520 3.024 0 40 HGAB CCOc1ccccc1N1CCN(C(=O)[C@@H]2CCCN2C(=O)c2cccs2)CC1 3378673 KWJZRENKLRPXKL-SFHVURJKSA-N 413.543 3.100 0 40 HGAB CCOC(=O)N1CCN(C(=O)CSc2cc(C)c(Br)cc2C)CC1 3505859 SRAHITBMAQPIJV-UHFFFAOYSA-N 415.353 3.459 0 40 HGAB CN(C)CCN(C(=O)[C@@H]1COc2ccccc2O1)c1nc2ccc(F)cc2s1 4359172 HSJSCVGBOPGMFX-KRWDZBQOSA-N 401.463 3.170 0 40 HGAB CC(C)(C)NC(=O)[C@H](c1cccnc1)N(C(=O)c1csnn1)c1ccccc1F 4858782 BSYUYPRYAVASPT-KRWDZBQOSA-N 413.478 3.375 0 40 HGAB COc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)cn1 5062336 LIBYXLGWSGZISA-UHFFFAOYSA-N 409.895 3.171 0 40 HGAB Nn1c(Cc2ccccc2F)nnc1SCc1nnc(-c2ccc(F)cc2)o1 6602806 YWRIVGQXJPLJTF-UHFFFAOYSA-N 400.414 3.203 0 40 HGAB COCCn1c(SCC(=O)N2CCc3ccccc32)nnc1-c1ccc(OC)cc1 6905351 FKIADKPPUPFZEP-UHFFFAOYSA-N 424.526 3.282 0 40 HGAB CNC(=O)CSc1nnc(-c2cc(-c3ccc(C)cc3)nc3ccccc23)n1N 6946273 JKOOLNKHRKYVMA-UHFFFAOYSA-N 404.499 3.021 0 40 HGAB CCOC(=O)c1ccc(NS(=O)(=O)c2cc(Br)ccc2OC)cc1 7055237 PQWBJBJTGOISED-UHFFFAOYSA-N 414.277 3.435 0 40 HGAB O=C(NCCCN1CCCCC1)c1nn(Cc2ccccc2)c(=O)c2ccccc12 7923201 FKGBWERWWTXAPU-UHFFFAOYSA-N 404.514 3.051 0 40 HGAB CCc1cccc(CC)c1NC(=O)COC(=O)[C@@H]1CC(=O)N(C2CCCCC2)C1 7940206 ILUZNIIGQJXKQO-GOSISDBHSA-N 400.519 3.474 0 40 HGAB O=C(C[C@@H]1C=CCC1)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 8245995 NBGMOBUOINHZEK-CYBMUJFWSA-N 403.331 3.183 0 40 HGAB COc1ccc(Cc2nnc3n2N=C(c2cccs2)[C@H](CC(=O)O)S3)cc1 8391824 DJJFBOSMWAWMNR-AWEZNQCLSA-N 400.485 3.140 0 40 HGAB O=C(CCN1C(=O)S/C(=C\c2cccs2)C1=O)Nc1cccc2nonc12 8514793 IWMSKGZWJOPIGT-LCYFTJDESA-N 400.441 3.349 0 40 HGAB O=C(c1cn(Cc2cccc(F)c2)nc1OCc1cccc(F)c1)N1CCOCC1 9101485 CGPYJAZFXXFCDR-UHFFFAOYSA-N 413.424 3.261 0 40 HGAB COc1ccc(N(CC(F)(F)F)C(=O)Cn2nnc(-c3ccc(C)cc3)n2)cc1 9501760 BTMOBZFQQHJWNP-UHFFFAOYSA-N 405.380 3.253 0 40 HGAB O=C1CCc2cc(S(=O)(=O)Nc3ccc(Br)cc3)cc3c2N1CCC3 9708650 BGALYLWXSWCHCF-UHFFFAOYSA-N 421.316 3.475 0 40 HGAB O=C(NC1CCN(C(=O)COc2ccc(Br)cc2)CC1)c1ccccc1 9853237 FTYKOXNOPJHROZ-UHFFFAOYSA-N 417.303 3.249 0 40 HGAB Cn1ccnc1[C@@H](NC(=O)CNC(=O)c1ccc(C(C)(C)C)cc1)c1ccc(F)cc1 10656585 KQPFYQKJKNPLRU-NRFANRHFSA-N 422.504 3.492 0 40 HGAB CCCN1CCCc2cc(CCNC(=O)C(=O)Nc3cc(C)ccc3OC)ccc21 11612992 IFEIJOXUVGNNII-UHFFFAOYSA-N 409.530 3.464 0 40 HGAB COc1cc2c(cc1CN1CCc3c(nc(-c4ccncc4)[nH]c3=O)C1)CCCC2 12142897 CLVJANXXSFIUDA-UHFFFAOYSA-N 402.498 3.278 0 40 HGAB CCn1c(=O)oc2cc(S(=O)(=O)NC3(c4ccc(F)cc4)CC3)c(Cl)cc21 12240340 CQDKJKZYUCIHFC-UHFFFAOYSA-N 410.854 3.375 0 40 HGAB CC(C)CNS(=O)(=O)c1cc(C(=O)N2C[C@H](C)O[C@H](C)C2)c(Cl)cc1Cl 12539348 MMMQAEUZHNVUFW-TXEJJXNPSA-N 423.362 3.177 0 40 HGAB CC(C)(C)C(=O)CNC(=O)c1ccccc1NS(=O)(=O)c1cc(F)cc(F)c1 12560941 WKUYBNIOTPEQEU-UHFFFAOYSA-N 410.442 3.111 0 40 HGAB O=C1C[C@H](C(=O)N2CCN(Cc3ccccc3)CC2)CN1Cc1ccccc1Cl 12567890 ARXBJKFMDMVUSN-FQEVSTJZSA-N 411.933 3.033 0 40 HGAB O=S(=O)(Nc1cccc(-c2nnnn2C2CC2)c1)c1cccc(C(F)(F)F)c1 12584962 LEUCMXZREQTJBG-UHFFFAOYSA-N 409.393 3.495 0 40 HGAB CN(CCC(=O)Nc1ccccc1F)CC(=O)Nc1ccccc1Br 12773446 HSFUKRXHDNSADG-UHFFFAOYSA-N 408.271 3.487 0 40 HGAB CN(Cc1ccc(Br)s1)C(=O)CCc1nc2ccccc2c(=O)[nH]1 12846484 FCYHKYAVAXEPPE-UHFFFAOYSA-N 406.305 3.338 0 40 HGAB O=S(=O)(c1ccc(Cl)cc1C(F)(F)F)N1CCN(c2nccs2)CC1 12918465 MTQXQXREXFLXDG-UHFFFAOYSA-N 411.858 3.326 0 40 HGAB Cc1cccc(NC(=O)CNC(=O)c2nn(-c3ccccc3Cl)c(C)cc2=O)c1C 12980608 ZREGTPREEXBTAI-UHFFFAOYSA-N 424.888 3.180 0 40 HGAB CCOc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)s3)C2)cc1 13019779 OVBAPOJGPDTSOW-OAHLLOKOSA-N 408.545 3.495 0 40 HGAB Cc1ccccc1N1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1 13041582 ULVWDTYCQKKLSC-UHFFFAOYSA-N 400.422 3.405 0 40 HGAB O=C(CCc1ccccc1F)N1CCC(c2cc(O)nc(-c3cnccn3)n2)CC1 13266937 GLGAHBLZNBLICW-UHFFFAOYSA-N 407.449 3.117 0 40 HGAB C[C@H](Sc1ncnc2c1cnn2-c1ccc(F)cc1)C(=O)NC(=O)NC(C)(C)C 13296411 YZMBRWTTZYSVOX-NSHDSACASA-N 416.482 3.060 0 40 HGAB Cn1c(SCC(=O)N[C@H](c2ccccc2)c2ccco2)nnc1-c1ccncc1 14068907 OIPJYVUBOOBKRT-LJQANCHMSA-N 405.483 3.468 0 40 HGAB COc1ccccc1CCC(=O)N(C)CC(=O)Nc1ccccc1Br 15996056 CLYYUUDMNHQASN-UHFFFAOYSA-N 405.292 3.487 0 40 HGAB CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)Cc1ccc(C(F)(F)F)cc1 16471056 KSGNEEWRTQRKCD-UHFFFAOYSA-N 412.433 3.088 0 40 HGAB CCc1nc2sc([C@H](c3cccc(OC)c3)N3C[C@H](C)O[C@H](C)C3)c(O)n2n1 16690163 JXXKXCCXVHPUAS-AHIWAGSCSA-N 402.520 3.266 0 40 HGAB COc1ccc(C2=NO[C@H]3C(=O)N(c4cc(Cl)ccc4Cl)C(=O)[C@H]23)c(OC)c1 18179789 VKUQRBISRFOJKN-NVXWUHKLSA-N 421.236 3.303 0 40 HGAB Cc1ccc(-c2ccc(C[C@]3(C(N)=O)CCCN(C(=O)[C@H]4CCCO4)C3)cc2)cc1 19212353 OPZVYEKBQSWESK-RCZVLFRGSA-N 406.526 3.478 0 40 HGAB COc1ccc([C@H]2N(C(=O)c3cn4ccc(C)cc4n3)CCC[C@]23CCC(=O)N3)cc1 19238174 PWNFKRRXYMXUPJ-VWNXMTODSA-N 418.497 3.277 0 40 HGAB COc1ccc(CN2C[C@@H]3C[C@@H](O)CN3C[C@H]2Cc2ccccc2)cc1OC(C)C 19450505 OEGHEXDDQQJRLT-XPWALMASSA-N 410.558 3.345 0 40 HGAB CCc1nc2ccccc2n1C[C@H](C)C(=O)N1CCC[C@@H]1c1nnc(SC)n1C 19523270 DHQUPDFPYWISPW-WMLDXEAASA-N 412.563 3.449 0 40 HGAB CCn1cc(-c2cc(C(=O)NCCc3c(C)nn(C)c3C)c3ccccc3n2)cn1 19716473 MQHKEBGPIAOOTN-UHFFFAOYSA-N 402.502 3.441 0 40 HGAB COc1ccc(Cl)cc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)NCC(C)C 20009327 ACRFUXJXLUCOOX-QGZVFWFLSA-N 424.950 3.010 0 40 HGAB CCCCOC(=O)c1ccc(NS(=O)(=O)Cc2ccc(C(=O)OC)cc2)cc1 20039893 JJUDJBGSAGDNDF-UHFFFAOYSA-N 405.472 3.372 0 40 HGAB CN(C)S(=O)(=O)N(C)c1ccc(C(=O)NC(c2ccccc2)c2ccccc2)cc1 20245888 AWGWFOLQCSZCLS-UHFFFAOYSA-N 423.538 3.449 0 40 HGAB CN(C)S(=O)(=O)N(CC(=O)Nc1cccc(Cl)c1Cl)c1ccccc1 20568090 CJRJKTSTRUUVBC-UHFFFAOYSA-N 402.303 3.245 0 40 HGAB Cc1ccc(N(CC(=O)NCc2cccc(OC(C)C)c2)S(C)(=O)=O)c(C)c1 22328161 JKECRYKSRKXERS-UHFFFAOYSA-N 404.532 3.173 0 40 HGAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)N[C@H](C)c2ccc(F)cc2)cc1C 22539208 UATWFLJDZWCFQJ-MRXNPFEDSA-N 422.522 3.421 0 40 HGAB CCC1CCC2(CC1)NC(=O)N(CN1CCN(C/C=C/c3ccccc3)CC1)C2=O 22912907 QQTYPVXOOXSOCN-RMKNXTFCSA-N 410.562 3.166 0 40 HGAB CCOC(=O)c1[nH]c(CN2CCO[C@H](c3ccc(F)cc3)C2)c(C(=O)OCC)c1C 23186341 GFYLAYWXDBOMED-SFHVURJKSA-N 418.465 3.389 0 40 HGAB Cc1cccc(CN2CCN(C(=O)CCc3nc(-c4ccc(F)cc4)no3)CC2)c1 23788771 VWNJSFDJYKLGSE-UHFFFAOYSA-N 408.477 3.461 0 40 HGAB O=S(=O)(/C=C/c1ccccc1)N1CCN(Cc2ncc(-c3ccccc3)o2)CC1 23866947 KUHFYKZXAJFXHD-LFIBNONCSA-N 409.511 3.460 0 40 HGAB C[C@]1(NC(=O)COc2ccc(Cl)cc2Cc2ccccc2)CCS(=O)(=O)C1 24035509 AVVPTYUKUMNUQT-FQEVSTJZSA-N 407.919 3.003 0 40 HGAB FC(F)(F)c1ccc(N2CCCCC2)c(NC(=S)NCCN2CCOCC2)c1 25515825 IDLSCHPFWFXOCU-UHFFFAOYSA-N 416.513 3.314 0 40 HGAB C[C@]12CCC(=O)N1[C@@H](C(=O)NCc1ccc(CN3CCc4ccccc43)cc1)CS2 27589820 IVXDQXGTNBDNLT-QPPBQGQZSA-N 421.566 3.320 0 40 HGAB CCN(CC)CCOc1ccc(NC(=O)c2ccc(NS(C)(=O)=O)cc2)cc1 31286536 YDXQXWUUYDVEKM-UHFFFAOYSA-N 405.520 3.031 0 40 HGAB C[C@H](NC(=O)COc1cccc(C(F)(F)F)c1)c1ccc(S(C)(=O)=O)cc1 31497426 BXHJACUGUZXDGK-LBPRGKRZSA-N 401.406 3.365 0 40 HGAB Cc1ccc(C(=O)NC(=S)Nc2ccccc2N2CCN(C(=O)C(C)C)CC2)cc1 32127855 JAOWWJIMJOIQIE-UHFFFAOYSA-N 424.570 3.426 0 40 HGAB COc1cc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2)c(OC)cc1Cl 32796489 OAJYPFHNKJMUMK-INIZCTEOSA-N 424.906 3.149 0 40 HGAB O=C(Nc1nc2ccccc2s1)c1ccc(S(=O)(=O)NCc2cccnc2)o1 35597503 HFTCZEVDBMGXKK-UHFFFAOYSA-N 414.468 3.015 0 40 HGAB O=C(c1ccc(F)cc1)[C@@H]1[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]2[C@H]2CCCN12 35808785 BEYFEKWVVRAIPI-HCXYKTFWSA-N 412.848 3.314 0 40 HGAB COC(=O)[C@@H](c1ccccc1Cl)N1CCN([C@@H](C)c2nc(C3CC3)no2)CC1 48260908 PWLKKKMIEXCDJE-SUMWQHHRSA-N 404.898 3.193 0 40 HGAB O=C(NC[C@H](c1ccco1)N1CCN(c2ccccc2)CC1)c1ccc2c(c1)OCO2 56945369 SGWHUZWHGSYWOY-HXUWFJFHSA-N 419.481 3.302 0 40 HGAB O=C(CN1CCN(C(=O)c2cccc(-n3cccc3)c2)CC1)Nc1ccc(F)cc1 57270667 WAELYTFSFISTIS-UHFFFAOYSA-N 406.461 3.013 0 40 HGAB CCCCN(C)C(=O)Cn1c(=O)n(Cc2cccc(Cl)c2)c(=O)c2ccccc21 57472880 DLTYCMGWOSZHEJ-UHFFFAOYSA-N 413.905 3.123 0 40 HGAB CCCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(C(F)(F)F)cc2)c1=O 57477603 CHEGANNCBKGLIZ-UHFFFAOYSA-N 405.376 3.231 0 40 HGAB Cc1ccccc1-n1c(=O)c2sccc2n(CC(=O)Nc2ccc(F)cc2)c1=O 57489698 MHOSEQKAEUTGRF-UHFFFAOYSA-N 409.442 3.300 0 40 HGAB CSc1nccn1-c1cccc(C(=O)N2CCC(C(=O)NCc3ccco3)CC2)c1 58138508 NPJYNNSPUXKODX-UHFFFAOYSA-N 424.526 3.356 0 40 HGAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N(C)C[C@@H]2COc3ccccc3O2)c1C 58175466 ZNDKUVJLMPMAKP-JKSUJKDBSA-N 400.475 3.151 0 40 HGAB C[C@@H](CNC(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1)N(C)c1ccccc1 58342769 XNERCRGNSQIRJA-SFHVURJKSA-N 423.561 3.030 0 40 HGAB Nc1nc(SCC(=O)N2N=C3/C(=C\c4ccco4)CCC[C@@H]3[C@H]2c2ccco2)n[nH]1 61945290 MVXYVZRYAOLSFW-PDHWYABUSA-N 424.486 3.488 0 40 HGAB CC(C)NC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)c2cc(C(C)(C)C)ccc2O1 64985431 OCWQKEKTFLSDRY-FQEVSTJZSA-N 416.543 3.465 0 40 HGAB O=C(CCCCc1nc2ccccc2s1)N1CCC(C(=O)N2CCOCC2)CC1 69929146 PNLCXIMENJTYNI-UHFFFAOYSA-N 415.559 3.107 0 40 HGAB CC(=O)c1cccc(NC(=O)[C@H]2CCCN(c3cc(-n4nc(C)cc4C)ncn3)C2)c1 70656056 OIKWAFCAMXQIMB-IBGZPJMESA-N 418.501 3.337 0 40 HGAB CN1CCN(c2ccc(Br)cc2NS(=O)(=O)c2ccccc2)CC1 72270843 NOSZAOUMRXTWDN-UHFFFAOYSA-N 410.337 3.002 0 40 HGAB COC(=O)C[C@@H](NC(=O)Nc1cccc(-c2nnc3n2CCC3)c1)c1cccs1 72280753 UYPBJMTUCVXCRH-OAHLLOKOSA-N 411.487 3.379 0 40 HGAB CN(C)CC1CCN(C(=O)c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2O)CC1 72311450 JJHWOSGJLBPYPI-UHFFFAOYSA-N 417.456 3.337 0 40 HGAB CCn1nc(C)c(CN2CCc3c(nc4cc(-c5ccoc5C)nn4c3O)C2)c1C 72339408 ZYWGUBVFCXKTJE-UHFFFAOYSA-N 406.490 3.395 0 40 HGAB CCO[C@H]1C[C@H](NC(=O)c2cc(S(=O)(=O)N3CCCC3)c(C)o2)C12CCCCC2 78878978 YIUULACTONHGIB-OALUTQOASA-N 424.563 3.230 0 40 HGAB CC(C)(C)C(=O)NCCc1ccc(S(=O)(=O)N[C@@H]2CCc3ccccc32)s1 95457528 DWNYRJPLDAMWTF-QGZVFWFLSA-N 406.573 3.419 0 40 HGAB CC(C)c1nnc(NC(=O)C[S@@](=O)Cc2ccc(Br)cc2)s1 95973387 APSPEOATTGDQOM-JOCHJYFZSA-N 402.339 3.311 0 40 HGAB CN(C)CCNC(=O)C[C@H]1CC2(CCN(C(=O)c3ccco3)CC2)c2ccccc21 96242212 UNTNMVDYWZVLHU-SFHVURJKSA-N 409.530 3.009 0 40 HGAB CCOC(=O)C1=C(COC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)NC(=O)N[C@@H]1c1ccccc1 102318759 ZTYTWCASOROXFL-WFNJMBFTSA-N 412.486 3.227 0 40 HGAB O=C(CN1C(=O)[C@H]2CCCC[C@H]2C1=O)Nc1ccccc1-c1nc2ccccc2[nH]1 102400924 KKIDENVTVCZWBF-GASCZTMLSA-N 402.454 3.344 0 40 HGAB O=S(=O)(NC[C@H]1CCCN1c1ccccc1)c1ccc(Br)s1 207993471 PEAQSCHHLXOZSB-CYBMUJFWSA-N 401.351 3.458 0 40 HGAB COc1ccc(N([C@H](C)C(=O)Nc2cccc(C)c2C)S(C)(=O)=O)cc1OC 220228536 KUDAJBANSIIHFE-OAHLLOKOSA-N 406.504 3.114 0 40 HGAB CC[C@@H](C(=O)Nc1cccc(C(=O)OC)c1C)N(c1cccc(C)c1)S(C)(=O)=O 220508708 QPSNWZZUSISMLO-IBGZPJMESA-N 418.515 3.273 0 40 HGAB O=C(O)CN(c1ccc(Br)c(Cl)c1)S(=O)(=O)c1ccccc1 224674107 ZRJPJIZNPGLJDN-UHFFFAOYSA-N 404.669 3.382 0 40 HGAB Cc1cc(NC(=O)CN(Cc2ccccc2)S(C)(=O)=O)ccc1Br 224722971 SFAXMXDMOBDPNO-UHFFFAOYSA-N 411.321 3.158 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1C2 225183887 CKBOOPKFUAIBCO-SQGPQFPESA-N 420.575 3.107 0 40 HGAB COc1ccc(CN(C(=O)COc2ccc(F)cc2)[C@H](C)C(=O)NC(C)C)cc1 225680678 OYINVTRPAMAYFN-MRXNPFEDSA-N 402.466 3.155 0 40 HGAB CCc1noc(C)c1C(=O)NC[C@H]1CC[C@H](c2nnc(-c3cnc(C)cn3)o2)CC1 257233776 GQRRCCDVQMULBA-SHTZXODSSA-N 410.478 3.398 0 40 HGAB CNc1ncccc1CN1CCC[C@@H](c2n[nH]cc2C(=O)N(C)Cc2ccccc2)C1 257262855 LNESPIAHVJIMAX-LJQANCHMSA-N 418.545 3.498 0 40 HGAB CC(C)NC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 408593426 QGECQEAGPIQMTF-MRXNPFEDSA-N 402.516 3.120 0 40 HGAB COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)C(=O)Nc1ccccc1SC 408621726 LZFPZNWJEMAHEX-NSHDSACASA-N 414.936 3.376 0 40 HGAB O=C(CN1C(=O)S/C(=C/c2ccc(F)cc2)C1=O)Nc1ccc2c(c1)OCO2 409161542 VJPSHXFJGKEKMN-FRKPEAEDSA-N 400.387 3.229 0 40 HGAB Cc1ccnc2c(S(=O)(=O)N[C@@H](Cc3ccccc3)C(=O)N3CCCC3)cccc12 547639447 MZIIYIISEULYRY-FQEVSTJZSA-N 423.538 3.055 0 40 HGAB COC(=O)c1cncc(C(=O)N[C@@H](c2ccc(F)c(F)c2)C(C)(C)N2CCCC2)c1 548601890 DZWPMYJSDJMWNI-IBGZPJMESA-N 417.456 3.492 0 40 HGAB CC(C)c1ccc(-c2noc(CCC(=O)N3CCC[C@@H](c4nc(O)n[nH]4)C3)n2)cc1 582859609 UCDLDUCZUNODBK-MRXNPFEDSA-N 410.478 3.023 0 40 HGAB O[C@H]1[C@H](NCc2ccccc2Cl)[C@H]2CO[C@H](O2)[C@@H]1n1cc(-c2ccccc2)cn1 952844855 NZBSJGSIDUZBDB-CSEOROSGSA-N 411.889 3.019 0 40 HGAB biogenic,in-vitro Cc1cccc(C(=O)NCc2noc([C@@H]3CCC(=O)N3CCc3ccccc3)n2)c1 1775963982 MMMFNFLRAVIRTO-IBGZPJMESA-N 404.470 3.214 0 40 HGAB biogenic,in-vitro C[C@H](Oc1cccc(Cl)c1)C(=O)N1CCC(n2nc(C3CC3)ccc2=O)CC1 1775985986 NIQIKZBQAJHOJR-AWEZNQCLSA-N 401.894 3.405 0 40 HGAB O=C(CC[C@H]1CCC(=O)N1)Nc1cscc1S(=O)(=O)c1ccc(Cl)cc1 2037845758 KPKFJHLTQHRSGY-GFCCVEGCSA-N 412.920 3.232 0 40 HGAB CCO[C@@H]1CN(Cc2ccccc2)C(=O)[C@@]2(CCCN(Cc3cnc(C)cn3)C2)C1 2037873595 ZBJXIHOWMGFCAC-UPVQGACJSA-N 408.546 3.205 0 40 HGAB CC1=C(C(=O)Nc2ccccn2)[C@@H](c2cccc(Br)c2)n2ncnc2N1 703553 OORIQUKUFFMEOD-MRXNPFEDSA-N 411.263 3.363 0 40 HGAB CC(C)Oc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccccc3F)CC2=O)cc1 800573 QKGZDNBNKRPCRO-OAHLLOKOSA-N 414.433 3.148 0 40 HGAB CCCn1c(SCC(=O)Nc2ccc(C(=O)OC)cc2)nnc1-c1ccco1 1364372 VAAQMPHTZDLKNI-UHFFFAOYSA-N 400.460 3.466 0 40 HGAB COc1ccc(-n2ncc3c(N4CCN(c5ccc(F)cc5)CC4)ncnc32)cc1 2378177 OGVXGXBLJGLUHA-UHFFFAOYSA-N 404.449 3.290 0 40 HGAB Cc1ccccc1-n1nc2c(c1NC(=O)c1c(F)cccc1F)CS(=O)(=O)C2 3008481 LZQMSGDFSKFAOB-UHFFFAOYSA-N 403.410 3.140 0 40 HGAB Cc1ccc(Cl)c(NC(=O)CN2C(=O)N[C@@H](Cc3ccccc3)C2=O)c1Cl 3431021 XGPFJXCQHINHAH-AWEZNQCLSA-N 406.269 3.403 0 40 HGAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)CSCc2c(C)noc2C)c1C 3432348 PRVCFYDYEUAPNQ-CQSZACIVSA-N 422.503 3.461 0 40 HGAB CCOC(=O)[C@@](NC(=O)c1ccc(OC)cc1)(Nc1ccc(O)cc1)C(F)(F)F 4047841 SLCOAEIZJYZGIH-SFHVURJKSA-N 412.364 3.064 0 40 HGAB COc1ccc(CNC(=O)Cc2c(C)c3cc(Cl)c(O)cc3oc2=O)cc1OC 4742610 ZDNFSHNPDLRWRR-UHFFFAOYSA-N 417.845 3.337 0 40 HGAB COc1ccc(C(=O)NC(=S)Nc2nc3ccc(NC(C)=O)cc3s2)cc1 6186280 NVDWZSVGAKHLBG-UHFFFAOYSA-N 400.485 3.390 0 40 HGAB CCCN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc(OC)cc2)C1=O 6310971 UMLYWLJKLSABKR-NFBKMPQASA-N 403.482 3.271 0 40 HGAB biogenic CCS(=O)(=O)c1ccccc1C(=O)O[C@@H](C(=O)N1CCCC1)c1ccccc1 7073905 JTRMPBUEUIZFGS-LJQANCHMSA-N 401.484 3.001 0 40 HGAB COc1cc(/C=C/C(=O)OCc2cc(=O)n3cc(C)ccc3n2)cc(Cl)c1OC 7974692 JQUNEZWOSCPFKV-FNORWQNLSA-N 414.845 3.430 0 40 HGAB COc1ccc(/C=C/C(=O)N[C@H](C)C(=O)OCC(=O)c2ccc(Cl)s2)cc1 7987231 WJOJNAXZAGWJMJ-SBKJXLNCSA-N 407.875 3.354 0 40 HGAB O=C(Cn1nnc2ccccc2c1=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 7990732 OOBHYXXOQSUCAE-NRFANRHFSA-N 404.857 3.351 0 40 HGAB CC(=O)Nc1ccc(NC(=O)CCC(=O)OCC(=O)Nc2cc(C)ccc2C)cc1 8415114 BJRUIDSFUCGANZ-UHFFFAOYSA-N 411.458 3.162 0 40 HGAB C[C@@H]1CCCCN1CC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl 8489095 SJJFKTGCZXCJHM-OAHLLOKOSA-N 413.971 3.328 0 40 HGAB Nc1c([C@@](O)(c2nc3ccccc3s2)C(F)(F)F)cnn1Cc1ccncc1 8726383 QTGRNXRGLIJCPU-QGZVFWFLSA-N 405.405 3.317 0 40 HGAB CCN1C(=O)C(C)(C)COc2cc(NS(=O)(=O)c3ccc(OC)cc3)ccc21 9166230 BYOZRDRFSFODJB-UHFFFAOYSA-N 404.488 3.268 0 40 HGAB CCCCn1nc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)ccc1=O 9285731 NDSZMCLZMTXIAQ-UHFFFAOYSA-N 424.423 3.151 0 40 HGAB Cc1c(C)n(-c2nc3ccccc3s2)c2ncn(CCCN3CCOCC3)c(=N)c12 9531502 RDQZACQFHUTNNF-UHFFFAOYSA-N 422.558 3.255 0 40 HGAB Nc1c(C(=O)NCc2ccccc2Cl)nnn1Cc1cccc(Br)c1 9749020 GKCFVWGKLCXJGT-UHFFFAOYSA-N 420.698 3.255 0 40 HGAB COc1cccc(-c2ccc3nnc(SCC(=O)NCc4ccc(F)cc4)n3n2)c1 9829138 OMGLWPYLHSRHDF-UHFFFAOYSA-N 423.473 3.348 0 40 HGAB COc1ccccc1[C@H](C)NC(=O)COC(=O)c1[nH]c(C)c(C(=O)OC(C)C)c1C 9836399 BJTUCYBLBIKWPJ-AWEZNQCLSA-N 416.474 3.240 0 40 HGAB Cc1nc(COc2ccc(C(=O)N[C@@H](C)c3ccc(-n4cncn4)cc3)cc2)no1 11406529 DBFSWLJUACRHIX-AWEZNQCLSA-N 404.430 3.029 0 40 HGAB CN(Cc1nc(N2CCCC2)ncc1-c1ccncc1)C(=O)Cc1ccccc1F 12088886 PDDYZLZDHKKNJX-UHFFFAOYSA-N 405.477 3.479 0 40 HGAB Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)N1CCCCCC1)CC1(CCN(C)CC1)O2 12142642 OXTCFOLYUXNWBX-LJQANCHMSA-N 413.562 3.085 0 40 HGAB CC(C)COC(=O)Nc1nc(CC(=O)N2CCN(c3ccc(F)cc3)CC2)cs1 12440528 WEBVXIAEDHZRAH-UHFFFAOYSA-N 420.510 3.378 0 40 HGAB O=C(c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1)N1CCN(C(=O)C2CC2)CC1 12552695 BANXPCUCJQWNIT-UHFFFAOYSA-N 424.888 3.480 0 40 HGAB CCCc1ccc([C@@]2(C)NC(=O)N(CC(=O)N[C@@H](C)c3ccccc3OC)C2=O)cc1 12758960 RCHMUZLNWJUEEM-UPCLLVRISA-N 423.513 3.292 0 40 HGAB O=C(CN1C(=O)N[C@H](CCc2ccccc2)C1=O)c1cccc(Br)c1 12796286 OBMFICGCZXFHGL-MRXNPFEDSA-N 401.260 3.185 0 40 HGAB Cc1ccc(NC(=O)CSCC(=O)N(C)Cc2ccc3c(c2)OCCO3)cc1 12921299 QGRBMWHNTOCQBA-UHFFFAOYSA-N 400.500 3.097 0 40 HGAB CCCCn1c(N)c(N(Cc2ccco2)C(=O)c2ccccc2Cl)c(=O)[nH]c1=O 12924495 WBOBMFKKKTVOQC-UHFFFAOYSA-N 416.865 3.012 0 40 HGAB CSCC[C@@H](NC(=O)c1ccco1)C(=O)OCC(=O)Nc1ccc(C)c(Cl)c1 13039785 QHZWBNJGGWOXMB-OAHLLOKOSA-N 424.906 3.275 0 40 HGAB CCCCn1c(N)c(N(Cc2ccco2)C(=O)c2cc3ccccc3o2)c(=O)[nH]c1=O 13121470 VYMPUCSOMADHGM-UHFFFAOYSA-N 422.441 3.105 0 40 HGAB CCOC(=O)c1ccc(C)c(NC(=O)[C@@H](C)N(c2ccc(C)cc2)S(C)(=O)=O)c1 13669749 CFXXACBEXHTXTF-MRXNPFEDSA-N 418.515 3.273 0 40 HGAB CCOC(=O)c1c(NC(=O)CN2C(=O)[C@@H](C)Oc3ccccc32)sc(C)c1C 14711294 MDTUTPGPBDELPH-GFCCVEGCSA-N 402.472 3.294 0 40 HGAB O=C(Cn1nc2ccc(SC3CCCCC3)nn2c1=O)Nc1ccc(F)cc1 16843633 KZKNHRFNUSGVMY-UHFFFAOYSA-N 401.467 3.094 0 40 HGAB CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)COCC(=O)O)c2C(=O)NC2CC2)C1 17093211 MPNZYJWSABOVKN-LBPRGKRZSA-N 422.547 3.221 0 40 HGAB O=c1c2ncccc2n(Cc2ccc(Cl)cc2)c(=O)n1Cc1ccc2c(c1)OCO2 17170314 BVEGLIUHPKXNDG-UHFFFAOYSA-N 421.840 3.037 0 40 HGAB Cc1cnc(C(=O)N[C@H](Cc2cc(N(C)C)nc(C3CC3)n2)c2ccccc2)cn1 19238968 WIFAWODDHNWDFU-LJQANCHMSA-N 402.502 3.232 0 40 HGAB OC1(c2ccc(F)cc2)CCN(Cc2ccccc2OCCN2CCOCC2)CC1 19348855 XUAZDEGLXMTUHB-UHFFFAOYSA-N 414.521 3.020 0 40 HGAB Cc1c(CN2CCC(c3n[nH]cc3C(=O)N3CCc4ccccc4C3)CC2)cnn1C 19553561 VUDJBDOKUBDCJF-UHFFFAOYSA-N 418.545 3.030 0 40 HGAB COCC(=O)N1CCC[C@@](Cc2ccc(-c3cccs3)cc2)(C(=O)N(C)C)C1 19579105 DAPLSQUNZFZIIV-QFIPXVFZSA-N 400.544 3.301 0 40 HGAB COc1ccc([C@H](C)NC(=O)[C@@H](C)N(c2ccc(C)cc2)S(C)(=O)=O)cc1OC 20037534 LRUQZEWHQQQZBA-JKSUJKDBSA-N 420.531 3.044 0 40 HGAB CCOc1cccc(CNC(=O)CN(c2cc(Cl)ccc2C)S(C)(=O)=O)c1 20492552 KTCGVNHBJCHMIJ-UHFFFAOYSA-N 410.923 3.130 0 40 HGAB Cc1nnc(SCc2cc(=O)[nH]c(NC(=N)Nc3ccc(Cl)cc3)n2)s1 20555638 BCTTWEPDLLRHSJ-UHFFFAOYSA-N 407.912 3.334 0 40 HGAB O=C(O)CCc1ccc(S(=O)(=O)NNc2ncc(C(F)(F)F)cc2Cl)cc1 20627305 UJHZIMAKJRQECY-UHFFFAOYSA-N 423.800 3.076 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(N(C)C)c(NC(=O)[C@@]2(C)CC2(Cl)Cl)c1 22190882 RTYXMMVOKPBYKE-MRXNPFEDSA-N 422.378 3.306 0 40 HGAB CC[C@H](NC(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O)c1ccc(OC)cc1 22331446 DHEFBANSLSFHJP-SFHVURJKSA-N 410.923 3.382 0 40 HGAB O=C1C[C@@H](c2ccc(Cl)cc2)Cc2c1cnc1nc(N3CCOCC3)nc(O)c21 22606974 SDEDFVDMQOBSRW-ZDUSSCGKSA-N 410.861 3.133 0 40 HGAB COC(=O)c1cccc(CN2CCc3cc(S(=O)(=O)N4CCCCC4)ccc32)c1 24510898 IRCAANSGTWTMHX-UHFFFAOYSA-N 414.527 3.211 0 40 HGAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)CCCc1nc2ccccc2c(=O)[nH]1 27131944 ARJMJGDRVZBENI-INIZCTEOSA-N 416.485 3.046 0 40 HGAB CCOc1ccc(N2C[C@H](C(=O)Nc3ccccc3C(=O)NC(C)C)CC2=O)cc1 27233131 VMHKTOXVPWKEGV-MRXNPFEDSA-N 409.486 3.215 0 40 HGAB O=c1oc2cc(Br)ccc2n1CN1CCN(CCc2ccccc2)CC1 29500994 NYUCZMQHCDVUAY-UHFFFAOYSA-N 416.319 3.175 0 40 HGAB CCN1C[C@@H](CN(C)Cc2nc(N)nc(Nc3ccccc3C)n2)Oc2ccccc21 32797334 CIZRRSKNIIOEKP-QGZVFWFLSA-N 419.533 3.225 0 40 HGAB COC(=O)[C@@H](C)CN(C)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 32927680 PYMRZPKSHMDHSJ-ZETCQYMHSA-N 419.124 3.186 0 40 HGAB CCCCn1nc(C(=O)N(C)C[C@@H]2COc3ccccc3O2)c2ccccc2c1=O 32966893 NOQJIMLYLPDAOX-MRXNPFEDSA-N 407.470 3.109 0 40 HGAB Cc1sc(=O)n(CC(=O)Nc2ccccc2C(=O)N(C)C)c1-c1ccc(F)cc1 40133571 CNSKWAIETYPEMA-UHFFFAOYSA-N 413.474 3.365 0 40 HGAB O=C(NCCN1CCN(C(=O)C2(c3cccs3)CCCC2)CC1)c1ccsc1 42383046 UZHLFRPEKHJEGY-UHFFFAOYSA-N 417.600 3.196 0 40 HGAB CC(C)Oc1cccc(CNC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)c1 46656149 WYOSTNAJLYCCTR-UHFFFAOYSA-N 410.923 3.064 0 40 HGAB O=C(NC[C@H]1Cc2ccccc2O1)Nc1ccc(-n2cncn2)cc1C(F)(F)F 47674159 YWMOYRVQXUPHGA-CQSZACIVSA-N 403.364 3.411 0 40 HGAB Cc1ccc(C)c(NC(=O)Cn2cc(C(=O)N3CCCC3)c(=O)c3ccc(C)nc32)c1 49002230 ZYNJWJDILVHKMB-UHFFFAOYSA-N 418.497 3.196 0 40 HGAB Cc1cc(NC(=O)CN(C)Cc2cc(Br)ccc2OC(F)F)no1 53351247 ZKJMJWIVCAWCCP-UHFFFAOYSA-N 404.211 3.417 0 40 HGAB CCCCN(CC)C(=O)Cn1c(=O)n(-c2ccccc2F)c(=O)c2sccc21 57490388 UWLPEBYCXLTKNK-UHFFFAOYSA-N 403.479 3.002 0 40 HGAB C[C@H]1Sc2ccc(C(=O)N3CCN(C(=O)Oc4ccccc4)CC3)cc2NC1=O 58407579 YWGHWQQRKCZMOE-CQSZACIVSA-N 411.483 3.076 0 40 HGAB O=C1CC[C@]2(C(=O)N3CCN(c4nccs4)CC3)Sc3ccc(Cl)cc3N12 64385743 IUPAXIDHNGKMBL-GOSISDBHSA-N 420.947 3.074 0 40 HGAB CCN1C[C@H](CN(C)C(=O)c2[nH]nc(C3CC3)c2Br)Oc2ccccc21 65497515 UUDWLKBWAXEREY-ZDUSSCGKSA-N 419.323 3.409 0 40 HGAB CC(=O)c1ccc(S(=O)(=O)NCCc2nc(C3CC3)cc(C(F)(F)F)n2)cc1 77101181 RPZBJNYDVKYKMP-UHFFFAOYSA-N 413.421 3.096 0 40 HGAB C[C@H](CS(C)(=O)=O)N(C(=O)CCSc1ccccc1Br)C1CC1 79093761 WGTXOFCDEBTNGO-GFCCVEGCSA-N 420.394 3.355 0 40 HGAB C[C@H](C[C@H](O)c1ccco1)NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 84637135 WOGLAICMAMLOPL-BEFAXECRSA-N 414.483 3.322 0 40 HGAB CCNC(=O)c1cccc(CNC(=O)c2sc3ccccc3c2C[S@@](C)=O)c1 89977528 VUDXWTAAQDEOBB-NDEPHWFRSA-N 414.552 3.460 0 40 HGAB COCCOc1cccc(C(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2CN(C)CCO2)c1 95451942 KBLYSQCYCYLNHD-LEWJYISDSA-N 418.921 3.167 0 40 HGAB CN(Cc1ncc(Cl)n1C)C(=O)c1cc(F)ccc1I 95466158 DUFZIVKPGQZFGJ-UHFFFAOYSA-N 407.614 3.089 0 40 HGAB C[C@@H]1CCCCN1C(=O)c1ncn2c(C3CCN(C(=O)c4ccoc4)CC3)ccnc12 96267228 IVLHPHFVXRHISW-MRXNPFEDSA-N 421.501 3.357 0 40 HGAB O=C(NCc1ccc(F)cc1)C(=O)Nc1ccccc1C(=O)NCCc1ccccc1 97074688 GVFZOIUHYUOTIH-UHFFFAOYSA-N 419.456 3.053 0 40 HGAB CN(C)c1ncc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)[C@@H]3CCCO3)CC2)n1 100738947 HXYNTIKYOYMOCC-HQRMLTQVSA-N 409.534 3.174 0 40 HGAB O=C1[C@H]2ON=C(c3ccc(Br)cc3)[C@H]2C(=O)N1c1ccccc1Cl 100870238 IXCRVABIIWBSTA-HIFRSBDPSA-N 405.635 3.395 0 40 HGAB Cc1sc(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)c(C(=O)NC2CCCC2)c1C 102341890 AKDBQQILZLOGFY-PYTWLRIVSA-N 402.516 3.499 0 40 HGAB CN(Cc1nc(-c2ccccc2)no1)C(=O)c1ccc(NS(C)(=O)=O)cc1Cl 219287522 VUWFZXVGPHRLLS-UHFFFAOYSA-N 420.878 3.034 0 40 HGAB CCCSc1nnc(NC(=O)CN(c2ccc(C)c(C)c2)S(C)(=O)=O)s1 222629379 KHRNWXHSQHDLHT-UHFFFAOYSA-N 414.578 3.062 0 40 HGAB CS(=O)(=O)N(CC(=O)NCc1cccc(C(F)(F)F)c1)c1ccc(F)cc1F 223935680 MRQHOAPZMXCFGB-UHFFFAOYSA-N 422.375 3.066 0 40 HGAB COc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)cc1 224183419 QTBLRRBGOXPUPN-INIZCTEOSA-N 418.559 3.491 0 40 HGAB CCCCOc1ccc(S(=O)(=O)Nc2cnc(N3CCCC3)nc2N(C)C)cc1 224342990 AFSULSLBTZVIFJ-UHFFFAOYSA-N 419.551 3.123 0 40 HGAB O=C(Nc1nnc(S(=O)(=O)NC23CC4CC(CC(C4)C2)C3)s1)c1ccccc1 224355822 GHVPWVGNUBEUPJ-UHFFFAOYSA-N 418.544 3.038 0 40 HGAB CC[C@H](NC(=O)C1(c2ccccc2)CCOCC1)c1ccc(S(C)(=O)=O)cc1 225819687 YECQSVWATMOSSM-FQEVSTJZSA-N 401.528 3.406 0 40 HGAB O=C(N[C@H]1C[C@H]2CC[C@H]1C2)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1 249992224 MBHKQEIKCNJZJO-IEZWGBDMSA-N 410.967 3.187 0 40 HGAB CCOc1ccc(C=c2sc3nc(-c4cccc(Cl)c4)nn3c2=O)cc1OC 254301233 ZKGQGUCMGBEJAG-UHFFFAOYSA-N 413.886 3.426 0 40 HGAB CN1CCN(C(=O)Cc2cccc(F)c2)[C@H](Cc2ccc(-c3cccnc3)cc2)C1=O 257295590 QZAQXVRMGOBIOG-HSZRJFAPSA-N 417.484 3.342 0 40 HGAB COc1cccc(N([C@H](C)C(=O)N[C@H](C)c2ccc3c(c2)CCC3)S(C)(=O)=O)c1 260937150 PFXRVKOEEJXBLT-HZPDHXFCSA-N 416.543 3.216 0 40 HGAB C[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NCc1ccccc1Cl 408554380 RUFMPNKNZQOPIK-AWEZNQCLSA-N 402.903 3.476 0 40 HGAB COc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3cccc4ccccc34)CC2=O)cc1 408662685 XKXWEEAHYGRLDX-QGZVFWFLSA-N 418.449 3.383 0 40 HGAB COc1ccc(O[C@H](C)C(=O)N2CCC(n3nc(C(C)(C)C)ccc3=O)CC2)cc1 1775968275 WHLIQJNUOAORDG-MRXNPFEDSA-N 413.518 3.180 0 40 HGAB O=C1COC2(CCN(Cc3ccc(F)c(F)c3)CC2)CN1Cc1cccc(F)c1 2055830347 NEPSRELMOGINJF-UHFFFAOYSA-N 404.432 3.498 0 40 HGAB CC(C)CCN1C[C@H]2C(=O)NC3(CCN(C(=O)Nc4cccc(Cl)c4)CC3)[C@H]2C1 2056225073 AQEDZCRUQFFRQK-MOPGFXCFSA-N 418.969 3.430 0 40 HGAB O=C(COC(=O)c1ccccc1NCN1C(=O)c2ccccc2C1=O)c1ccccc1 1082481 YPLPXOBNTBHGKT-UHFFFAOYSA-N 414.417 3.392 0 40 HGAB COc1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1OC 1379539 MRPMMVLDQRBMIH-INIZCTEOSA-N 424.906 3.149 0 40 HGAB COc1ccc([C@H]2C(C(=O)Nc3cccc([N+](=O)[O-])c3)=C(C)Nc3ncnn32)cc1 1467361 RYIUKKIRDBEKOQ-SFHVURJKSA-N 406.402 3.123 0 40 HGAB O=C(C[C@H]1C(=O)N[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc(F)cc1)Nc1ccccc1 2353775 YYZLPFUCOFKCEG-AABGKKOBSA-N 409.461 3.106 0 40 HGAB O=C(CSc1nnc(-c2cnccn2)n1Cc1ccco1)Nc1ccc(F)cc1 2399417 MVLJVAZFQWNWLQ-UHFFFAOYSA-N 410.434 3.246 0 40 HGAB CN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)N(CCc2ccc(Cl)cc2)C1=S 2729350 OSHOKFRSULPVQT-QGZVFWFLSA-N 419.909 3.478 0 40 HGAB Cc1ccc(-c2nnc(SCc3nc(N)nc(Nc4ccccc4C)n3)n2N)cc1 3185845 SSABXTIUMOAVSF-UHFFFAOYSA-N 419.518 3.079 0 40 HGAB Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(C(=S)NC3CCCCC3)CC2)c1C 3311258 GWPPRRHRHJOXST-UHFFFAOYSA-N 423.648 3.434 0 40 HGAB CCOc1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2N)cc1 4288090 GCWXBMYHZZEHRO-UHFFFAOYSA-N 403.895 3.442 0 40 HGAB Cc1ccc(NC(=O)CN2N=N[C@H]3C(=O)N(c4ccc(C(C)C)cc4)C(=O)[C@@H]32)cc1C 4483851 GUUNSHSFGBFERA-NHCUHLMSSA-N 419.485 3.359 0 40 HGAB CCCCOC(=O)CC[C@H](Nc1nc(Cl)nc(Cl)n1)C(=O)OCCCC 4683147 DXSAAUBMWACDGC-NSHDSACASA-N 407.298 3.426 0 40 HGAB O=C(CSc1nnc(NC(=O)Cc2cccs2)s1)NCc1cccs1 4905772 GPFMDSGHZKHKFA-UHFFFAOYSA-N 410.571 3.251 0 40 HGAB COc1ccc(NC(C)=O)cc1NC(=O)c1cccn(Cc2cccc(F)c2)c1=O 5268916 YISPURPGFRNGOH-UHFFFAOYSA-N 409.417 3.255 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)N(C)CCOc2ccccc2)cc1 6558609 ORGAZJZWIVATQA-DTQAZKPQSA-N 416.543 3.268 0 40 HGAB COc1cc(NC(=O)COc2ccc3c(C)cc(=O)oc3c2C)cc(OC)c1OC 6662648 KHPGBOJJNHGNLD-UHFFFAOYSA-N 413.426 3.453 0 40 HGAB CC(C)Cn1c(=O)c2sccc2n2c(CCCC(=O)N3CCC(C)CC3)nnc12 6868492 ZHKMRGHVJLKCHE-UHFFFAOYSA-N 415.563 3.343 0 40 HGAB Cc1ccc(Cl)c(NC(=O)CSc2n[nH]c(=O)n2C[C@H]2CCCO2)c1Cl 7351747 HSIQWXCMZHASDS-SNVBAGLBSA-N 417.318 3.096 0 40 HGAB CCn1nnc2cc(C(=O)Nc3ccc4nc(N5CCOCC5)sc4c3)ccc21 8076621 OMMDDWRYFPQTCA-UHFFFAOYSA-N 408.487 3.150 0 40 HGAB CCCCNC(=O)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2cccc(OC)c2)C1 8261550 KQJWDJLPJATFJD-INIZCTEOSA-N 409.486 3.217 0 40 HGAB CCOc1ccc(NC(=O)CCCC(=O)OCC(=O)Nc2ccc(OC)cc2)cc1 8433462 JPSUOUKFBBXXCX-UHFFFAOYSA-N 414.458 3.385 0 40 HGAB C[C@H]1CCCN(C(=O)[C@@H]2CCc3sc(NC(=O)c4ccc5c(c4)OCO5)nc32)C1 9132394 BCPISDDADWOEKC-GXTWGEPZSA-N 413.499 3.412 0 40 HGAB COc1ccc(C(=O)NCCc2ccccc2)cc1S(=O)(=O)NCc1ccccc1 9668045 YJGHSSKNGMEWPK-UHFFFAOYSA-N 424.522 3.146 0 40 HGAB CC(=O)N1C[C@@H](C(=O)Nc2nn3cc(-c4ccccc4)nc3s2)Oc2ccccc21 9670213 LLYZELDFIPFHJZ-SFHVURJKSA-N 419.466 3.210 0 40 HGAB COc1ccccc1NC(=O)CSc1ccc(S(=O)(=O)N2CCCC2)cc1 10010123 XPQXRYALMSXMKY-UHFFFAOYSA-N 406.529 3.211 0 40 HGAB CC1=C(C(=O)Nc2cc(C)on2)[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)NC(=S)N1C 11204422 RGWXTWXRFAVNBQ-OAHLLOKOSA-N 421.866 3.318 0 40 HGAB Cc1cc(=O)[nH]c(-n2nc(-c3cccs3)cc2NC(=O)Cc2ccc(F)cc2)n1 11854443 YHVIAIJQFJLPDQ-UHFFFAOYSA-N 409.446 3.313 0 40 HGAB Fc1ccc(-c2nc(N3CCN(c4ccccn4)CC3)ncc2-c2ncc[nH]2)cc1 12221942 VMJJAQGIQDIBGH-UHFFFAOYSA-N 401.449 3.394 0 40 HGAB Cc1cccc(CS[C@@H](C)C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c1 12582295 KMXPGSOWZVFJRT-SFHVURJKSA-N 418.584 3.150 0 40 HGAB Cc1ccccc1-n1ccnc1SCC(=O)NCC(=O)Nc1ccc(F)c(F)c1 12604465 IZUGLVZMMFHDDB-UHFFFAOYSA-N 416.453 3.306 0 40 HGAB COc1ccc(C(=O)N[C@H]2CCSc3c(F)cccc32)cc1S(=O)(=O)N(C)C 12621811 MBTNUGNLTLVDBF-HNNXBMFYSA-N 424.519 3.052 0 40 HGAB CC(=O)c1ccc(S(=O)(=O)N(Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)cc1 12906537 JFMHCBYMRYUYHM-UHFFFAOYSA-N 412.511 3.135 0 40 HGAB CCc1cc2c(COC(=O)[C@@H](C)NC(=O)c3cccc(C)c3)cc(=O)oc2cc1O 13063225 OQMYRBWCRHVKBB-CQSZACIVSA-N 409.438 3.231 0 40 HGAB C[C@@H](C(=O)NCc1ccccc1Cl)N(c1ccc(Cl)cc1)S(C)(=O)=O 14154118 GKPBDGGQNLBKGI-LBPRGKRZSA-N 401.315 3.464 0 40 HGAB CN(C)S(=O)(=O)N(CC(=O)Nc1cc(Cl)ccc1Cl)c1ccccc1 14155520 YQKCEEVAGQHEBP-UHFFFAOYSA-N 402.303 3.245 0 40 HGAB O=c1c2c3c(sc2ncn1C[C@@H](O)COc1cccc(Br)c1)CCC3 14184124 NERPXZAWPYRSMB-GFCCVEGCSA-N 421.316 3.149 0 40 HGAB CCCCN(Cn1nnn(-c2ccc(C(C)C)cc2)c1=S)[C@@H]1CCS(=O)(=O)C1 14262230 LVRAXQIDBDMGJG-GOSISDBHSA-N 423.608 3.168 0 40 HGAB COc1ccc(-c2csc(NC(=O)CS(=O)(=O)c3ccccc3)n2)c(OC)c1 16048005 HPKPKMYFBZOKPY-UHFFFAOYSA-N 418.496 3.240 0 40 HGAB COc1cc(NC(=S)Nc2ccccc2N2CCOCC2)cc(OC)c1OC 17082693 KXNHAHZOVNDGFX-UHFFFAOYSA-N 403.504 3.358 0 40 HGAB COc1ccc([C@@H](Cc2cc(O)n3nc(C)cc3n2)NC(=O)Cc2ccccc2)cc1 19129947 NXUDPQWNSHHZBW-OAQYLSRUSA-N 416.481 3.395 0 40 HGAB Cc1cccc(CC(=O)N2CCCC[C@@H]2c2nn(CCO)cc2-c2cc(C)no2)c1 19234736 ZCCKJEVGLZHICG-HXUWFJFHSA-N 408.502 3.444 0 40 HGAB CC(=O)N1CCc2cc(S(=O)(=O)N[C@@H](C)Cc3c[nH]c4c(C)cccc34)ccc21 19236647 KZZXVBOCSZNDRN-HNNXBMFYSA-N 411.527 3.295 0 40 HGAB C[C@@H]1CCCC[C@@H]1NC(=O)CN1CC2(CCOCC2)Oc2ccc(Cl)cc2C1=O 19496189 YIJLTFNTMUWTKW-QAPCUYQASA-N 420.937 3.419 0 40 HGAB CCC(=O)Nc1ccc([C@H](O)CN2CCC3(CC2)C[C@@H](O)c2ccccc2O3)cc1 19499336 JXOWJKPNXFLDAC-NHCUHLMSSA-N 410.514 3.419 0 40 HGAB Cc1nc([C@H](Cc2ccsc2)NC(=O)c2ccc(S(N)(=O)=O)cc2)sc1C 19559820 SXWHIZIQDNRIAS-INIZCTEOSA-N 421.569 3.183 0 40 HGAB CCS(=O)(=O)N1CCC[C@H](c2nc(N(C)C)ncc2-c2cccc(Cl)c2)C1 19694526 FMQMZVWBBVSRDX-HNNXBMFYSA-N 408.955 3.392 0 40 HGAB CN(C)c1ncc(-c2ccc(C(N)=O)cc2)c([C@H]2CCN(CCc3ccccc3)C2)n1 19694742 WFDUVGJFNHQQHM-NRFANRHFSA-N 415.541 3.341 0 40 HGAB CCC1(CC)NC(=O)N(CC(=O)Nc2cccc(-c3cn4ccc(C)cc4n3)c2)C1=O 19715277 CFZZEBQAQKJTOL-UHFFFAOYSA-N 419.485 3.359 0 40 HGAB Cc1ncc(C(=O)NC2CC2)c([C@H]2CCCN2C(=O)c2cc3cc(F)ccc3[nH]2)n1 19767082 KKRCGRPLQFZZRI-LJQANCHMSA-N 407.449 3.275 0 40 HGAB Cc1ccc(C)c(N(CC(=O)Nc2ccc(F)c(Cl)c2)S(=O)(=O)N(C)C)c1 20244775 PMUQVBHJLVNPBJ-UHFFFAOYSA-N 413.902 3.347 0 40 HGAB O=C1C=CC(=O)N1c1c(Br)cc(Br)cc1Br 20504828 ONEIBTGSNPDDSB-UHFFFAOYSA-N 409.859 3.404 0 40 HGAB CN(c1ccccc1)S(=O)(=O)c1nnc(NC(=O)c2ccccc2Cl)s1 20902169 VDBUWMNBNFRGHO-UHFFFAOYSA-N 408.892 3.269 0 40 HGAB C[C@@]1(c2ccco2)NC(=O)N(C[C@@H](O)COc2ccc(-c3ccccc3)cc2)C1=O 21702790 KPICOITVSGFVJH-JPYJTQIMSA-N 406.438 3.154 0 40 HGAB O=C(Cc1cccc(F)c1)NCCc1ccc(S(=O)(=O)NC2CCCCC2)cc1 22227485 RQPOAFZGFIPPFG-UHFFFAOYSA-N 418.534 3.338 0 40 HGAB O=C1CCCN1c1ccc(S(=O)(=O)N2CC=C(c3c[nH]c4ncccc34)CC2)cc1 22475632 APQRLBBISVAFQX-UHFFFAOYSA-N 422.510 3.168 0 40 HGAB CC(=O)c1ccccc1NC(=O)[C@@H](C)Sc1nnc(N(C(C)=O)C2CC2)s1 22520875 VSXBJVOJTBKXGH-LLVKDONJSA-N 404.517 3.375 0 40 HGAB COC(=O)c1cc(NC(=O)[C@H]2CC(=O)N(c3cccc(C)c3C)C2)c(F)cc1F 22889389 RPVKEYBWLFXICQ-ZDUSSCGKSA-N 402.397 3.360 0 40 HGAB Cc1nn(CN2CCN(Cc3c(F)cccc3Cl)CC2)c(=O)c2ccccc12 22912161 MQABNOCEYKIYAF-UHFFFAOYSA-N 400.885 3.273 0 40 HGAB Cc1ccc([C@@H](OC[C@H](O)CN2C(=O)NC3(CCCC3)C2=O)c2ccccc2)cc1 24094621 BZJSAYGFSAHGQG-RTWAWAEBSA-N 408.498 3.327 0 40 HGAB CC(C)NS(=O)(=O)c1cccc(C(=O)OCc2csc(-c3ccco3)n2)c1 25446667 MILAIOOLEQDEQT-UHFFFAOYSA-N 406.485 3.447 0 40 HGAB Cc1ccc(-c2nc(C(=O)NCc3ccc(S(=O)(=O)N(C)C)s3)cs2)cc1 25882717 JIXHFUBKWQYJCW-UHFFFAOYSA-N 421.569 3.360 0 40 HGAB Cc1ccc(C(=O)N[C@H](C(=O)Nc2ccc(N3CCN(C)CC3)cc2C)C(C)C)cc1 26567339 BVUHULGASFRCPK-QHCPKHFHSA-N 422.573 3.448 0 40 HGAB Cc1nn(-c2ccccc2)c(C)c1C(=O)N1CCN(C(=O)c2ccccc2F)CC1 27830278 QVJACHYRKMCLGI-UHFFFAOYSA-N 406.461 3.226 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N[C@@H](C)c2ccccc2)c(C)c1 28207619 OCHMCFOHJKZUKT-KRWDZBQOSA-N 404.532 3.282 0 40 HGAB Cc1ccc([C@H](CNC(=O)c2cc(=O)c3cc(C)ccc3o2)N2CCOCC2)cc1 28288205 DQSLUHNNSDDOFC-FQEVSTJZSA-N 406.482 3.213 0 40 HGAB COc1ccc(S(=O)(=O)N[C@H](C)CCc2ccccc2)cc1N1CCCC1=O 30753164 MYULSJBKHABQDC-MRXNPFEDSA-N 402.516 3.122 0 40 HGAB CCOC(=O)c1cnn(-c2ccc(C(=O)Nc3cnc4c(c3)c(C)nn4C)cc2)c1C 30845215 ATSAASJWWQJWQT-UHFFFAOYSA-N 418.457 3.200 0 40 HGAB O=C(Nc1ccc2[nH]cc([C@H](C(=O)O)N3CCC[C@H](C(=O)O)C3)c2c1)c1ccccc1 32102494 ULAGRRUPIPJJSS-MGPUTAFESA-N 421.453 3.343 0 40 HGAB COc1cc(/C=C/C(=O)N(C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)cc(OC)c1 32754229 DGZPQJAWHJMORF-KDHUCADRSA-N 403.500 3.340 0 40 HGAB COc1ccc2nc(C)c(C(=O)NC[C@H]3CN(Cc4ccccc4)CCO3)cc2c1 32902381 CMNDSSPPAMPUJK-NRFANRHFSA-N 405.498 3.183 0 40 HGAB COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NCC(=O)Nc1cccc(C(F)(F)F)c1 34858939 SOSFFYFRAYXEJN-GOSISDBHSA-N 419.403 3.499 0 40 HGAB COC(=O)Cc1c(C)c2ccc(OCc3ccc(C(=O)OC)o3)c(C)c2oc1=O 36369890 OTYYQZZPZOKJTJ-UHFFFAOYSA-N 400.383 3.084 0 40 HGAB biogenic O=C(Cn1cnc2ccccc2c1=O)Nc1cccc(-c2cn3ccsc3n2)c1 38486247 IEAJDJNNEPEWDR-UHFFFAOYSA-N 401.451 3.411 0 40 HGAB CS(=O)(=O)N1CC[C@@H](C(=O)Nc2ccccc2C(F)(F)F)Oc2ccccc21 38849831 JNSIYCWCHFTSTN-INIZCTEOSA-N 414.405 3.261 0 40 HGAB COC(=O)c1cc(NC(=O)C2CCN(Cc3ccccc3)CC2)cc(C(=O)OC)c1 39754566 CJIYFNRULWWWDE-UHFFFAOYSA-N 410.470 3.111 0 40 HGAB CC(C)(C)OC(=O)Nc1ccc(CC(=O)N2CCN(Cc3ccncc3)CC2)cc1 40058841 RFXDTAZBANPUQD-UHFFFAOYSA-N 410.518 3.316 0 40 HGAB COc1cccc([C@H](CNC(=O)C2CCN(C(=O)c3ccsc3)CC2)N(C)C)c1 40062711 LYEZSZXQFGYAFU-FQEVSTJZSA-N 415.559 3.028 0 40 HGAB CCOc1ccccc1N1CCN(C(=O)c2ccc3c(c2)CCN3C(=O)CC)CC1 40142779 OFBLNZHIYFMXHW-UHFFFAOYSA-N 407.514 3.347 0 40 HGAB Cc1noc2nc(-c3ccccc3F)cc(C(=O)N[C@@H](C)C(=O)N3CCCCC3)c12 47289802 VTKREGSMIJLEDN-AWEZNQCLSA-N 410.449 3.468 0 40 HGAB Cc1cc(N2CCN(C(=O)Nc3cccnc3N3CCCC3)CC2)nc(C(C)C)n1 48172141 BKKKBJHXBOVNNT-UHFFFAOYSA-N 409.538 3.258 0 40 HGAB O=C(NCCc1ccccc1)c1ccc(Oc2nccnc2N2CCOCC2)cc1 49006091 PSGUZGQFKBARNB-UHFFFAOYSA-N 404.470 3.078 0 40 HGAB OCCNc1nc2ccccc2n1Cc1cc2c(cc1Br)OCCO2 54847360 WIGNTUJPTZNNKU-UHFFFAOYSA-N 404.264 3.023 0 40 HGAB O=C(COc1ccc(Cl)cc1)NCCN1CCN(c2ccc(Cl)cc2)CC1 56997356 PROYYUIQUAYZBA-UHFFFAOYSA-N 408.329 3.311 0 40 HGAB Cc1nc(-c2ccncc2)[nH]c(=O)c1CCC(=O)NCc1ccc(COC(C)C)cc1 58055257 APMGTZVAXRBLSC-UHFFFAOYSA-N 420.513 3.314 0 40 HGAB CN(C)C(=O)N1CCC[C@H](C(=O)Nc2nnc(CCCc3ccccc3)s2)C1 59745596 HGQBZJOLHZLUBH-INIZCTEOSA-N 401.536 3.046 0 40 HGAB Cc1ccc(NC(=O)Cn2ccn3nc(-c4ccc5c(c4)OCO5)cc3c2=O)cc1C 64591346 QJRFELLGPUOBBA-UHFFFAOYSA-N 416.437 3.147 0 40 HGAB Cc1sc2nc(CN3CCC(C)CC3)nc(N3CCNC(=O)C[C@H]3C)c2c1C 71889393 LIBDHKMYENUXLG-CQSZACIVSA-N 401.580 3.255 0 40 HGAB COc1ccc(CC(=O)N2CCN(c3ccccc3)C[C@H](Cc3cnccn3)C2)cc1 72355167 QFZUQTQWMLLLGQ-NRFANRHFSA-N 416.525 3.235 0 40 HGAB Cc1cccc(Cc2cc(C)nc([C@H]3CCCN(C(=O)c4ccc(=O)[nH]n4)C3)c2)c1 72356164 QTOMNJCJZIIZJX-FQEVSTJZSA-N 402.498 3.392 0 40 HGAB COC(=O)c1c(Cl)ccc(C)c1NC(=O)Cn1nc(-c2ccccc2)ccc1=O 79071825 YWAIEVCNAZRDTI-UHFFFAOYSA-N 411.845 3.297 0 40 HGAB Cc1nc(C)c(S(=O)(=O)N(C)CC2CCN(C(=O)Nc3ccccc3)CC2)s1 95465289 MXHKPKKEDNICOO-UHFFFAOYSA-N 422.576 3.325 0 40 HGAB C[C@H](CO)NC(=O)[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1 95471328 BXCUNTJJGJDHPO-JPYJTQIMSA-N 402.494 3.173 0 40 HGAB CN1CCCN(C(=O)c2c3c(NCc4ccccc4)ncnc3n3ccccc23)CC1 96087896 SHGUNGAYACIBTF-UHFFFAOYSA-N 414.513 3.272 0 40 HGAB COC(=O)c1ccc(-n2nnc(-c3nc(-c4cccc(OC)c4)cs3)c2N)cc1 96096353 WACAMHCIEWLIEI-UHFFFAOYSA-N 407.455 3.435 0 40 HGAB CN1CCN(C(=O)C[C@H]2CC3(CCN(C(=O)c4ccoc4)CC3)c3ccccc32)CC1 96242230 QJOOAQNKMCAZST-FQEVSTJZSA-N 421.541 3.105 0 40 HGAB CCCS(=O)(=O)N1CCC2(CC1)C[C@H](CC(=O)NC1CCC1)c1ccccc1O2 96243157 IFOOEORLJSGNLH-KRWDZBQOSA-N 420.575 3.186 0 40 HGAB CCc1ccccc1N(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@@H]2C1=O)C(=O)C(F)(F)F 100395355 MRYOEHRLOWYCCK-UJARPBSLSA-N 418.415 3.155 0 40 HGAB COc1ccc(OC)c(C2=NO[C@H]3C(=O)N(c4cccc5ccccc45)C(=O)[C@H]23)c1 102896564 WGXAYLOIOLKDDP-TZIWHRDSSA-N 402.406 3.150 0 40 HGAB COC(=O)c1c(C)nc(C2CC2)nc1SCC(=O)N[C@@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 104679437 LANAIHVRDUBMLC-MZGVZZPPSA-N 403.548 3.482 0 40 HGAB O=C1CC[C@H]2CN(S(=O)(=O)Cc3cccc(C(F)(F)F)c3)CC[C@H]2N1C1CC1 108147639 WBZNTOVWNYNLOZ-WMLDXEAASA-N 416.465 3.011 0 40 HGAB C[C@H](NC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1Cl)c1ccccc1 110217078 XBOIGBKFXPZPHI-HNNXBMFYSA-N 422.934 3.381 0 40 HGAB CCOc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3cc(C)ccc3C)C2)cc1 139071611 VGTWNUXAHUVSDE-KRWDZBQOSA-N 410.470 3.237 0 40 HGAB COC(=O)[C@@H]1C[C@H](Oc2ccccc2F)CN1C(=O)CSc1ccc(F)cc1 206796859 WAKMHLBHXNKGMU-YOEHRIQHSA-N 407.438 3.278 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCSCc3ccccc3)CC2)cc1 218995790 IJMOYXKZAKMBDY-UHFFFAOYSA-N 418.584 3.151 0 40 HGAB Cc1ccc(OCCNC(=O)CCCN(c2ccc(C)cc2)S(C)(=O)=O)cc1 219626154 ODGMDGMYCYTWSR-UHFFFAOYSA-N 404.532 3.045 0 40 HGAB CC[C@@H](C(=O)N[C@@H](C)c1ccc(OC)cc1)N(c1cccc(C)c1)S(C)(=O)=O 220521294 ZRYDFZGIKSDNAA-JXFKEZNVSA-N 404.532 3.426 0 40 HGAB O=C(c1cc(-c2cccs2)[nH]n1)N1CCC[C@@H](Cc2nc(-c3cnccn3)no2)C1 220840087 ONKNZLNAMMFGAV-ZDUSSCGKSA-N 421.486 3.073 0 40 HGAB COc1ccccc1N(CCCC(=O)Nc1cccc(C(C)=O)c1)S(C)(=O)=O 222581602 LTPOQUDWUHEOQY-UHFFFAOYSA-N 404.488 3.083 0 40 HGAB COc1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2OC)cc1Cl 222990318 XNPATOKXBGGPMB-UHFFFAOYSA-N 424.906 3.394 0 40 HGAB CCC(=O)N1CCc2cc(S(=O)(=O)N[C@@H](CC)c3ccc(OC)cc3)ccc21 223115389 XCBLOFFWJZTOGW-IBGZPJMESA-N 402.516 3.424 0 40 HGAB CCCC(=O)N(Cc1ccc(F)cc1)[C@@H](Cc1ccccc1)C(=O)NCCOC 223197046 ZIUUXEZNEBVYCU-NRFANRHFSA-N 400.494 3.328 0 40 HGAB COc1ccc(S(=O)(=O)Nc2ccc(C)c(Cl)c2)cc1N1C(=O)CCC1=O 223549912 VSXMHWMDVQQLKJ-UHFFFAOYSA-N 408.863 3.111 0 40 HGAB COc1ccc(OC)c(S(=O)(=O)N(C)Cc2nc(-c3cccc(Cl)c3)no2)c1 223621657 KYNBPSFVNDEQNG-UHFFFAOYSA-N 423.878 3.228 0 40 HGAB Cc1nc(NC(=S)NC[C@@H]2CCCO2)c(Br)cc1Br 223895686 GHVOQUBDNNNSQZ-QMMMGPOBSA-N 409.147 3.380 0 40 HGAB Cc1cccc(OCCNC(=O)CCCN(c2cccc(C)c2C)S(C)(=O)=O)c1 224743042 YTPDFYPHSBZOCX-UHFFFAOYSA-N 418.559 3.353 0 40 HGAB CCN(c1ccc(C(=O)Nc2ccc3c(c2)sc(=O)n3C)cc1)S(=O)(=O)CC 225064278 ZCQIDYJXEBRWRF-UHFFFAOYSA-N 419.528 3.028 0 40 HGAB COc1ccccc1[C@H](C)NC(=O)CN(c1c(C)cc(C)cc1C)S(C)(=O)=O 225116510 BQJZGDZQYWUIIE-KRWDZBQOSA-N 404.532 3.264 0 40 HGAB COc1cc(CNC(=S)Nc2ccc(N3CCCC3=O)cc2)cc(OC)c1OC 225573842 JZQJRDDGUNWCOC-UHFFFAOYSA-N 415.515 3.326 0 40 HGAB CCc1ccc(CC)c(CNC(=O)[C@@H](C)N(c2ccccc2F)S(C)(=O)=O)c1 225689756 XUVVWXVLQGIEID-OAHLLOKOSA-N 406.523 3.421 0 40 HGAB COc1ccc(CNC(=O)Cn2ccc(=O)c3ccc(Br)cc32)cc1 225738176 ASFKMXFPOCOSGL-UHFFFAOYSA-N 401.260 3.089 0 40 HGAB CCOCCCNC(=O)/C(=C/c1cccs1)NC(=O)c1ccc(OC)c(OC)c1 225777515 WPLKKFXCHZACMK-VKAVYKQESA-N 418.515 3.079 0 40 HGAB C[C@H]1C[C@H](C)CN(c2cc(N3CCCC3)nc(NC(=S)NC[C@@H]3CCCO3)n2)C1 225906858 ULCHYDPLNGIIFY-ULQDDVLXSA-N 418.611 3.025 0 40 HGAB S=C(NCc1cccnc1)Nc1nc(N2CCCCCC2)cc(N2CCCC2)n1 225939576 SCBFBEUEHDUCLF-UHFFFAOYSA-N 411.579 3.339 0 40 HGAB O=C(CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)NCC1(c2ccccc2F)CCCC1 247760038 GZEOZVIYKOQQFO-LVNJIZSUSA-N 412.505 3.175 0 40 HGAB C[C@@H]1C[C@H]1C(=O)N1CCC[C@H]1c1nc(O)c2c(n1)CCN(Cc1ccccc1F)C2 253592212 ULFOUKLGNKCACO-KKVAFCGZSA-N 410.493 3.199 0 40 HGAB Cc1ccc(=O)n(CC(=O)N2CCC[C@@H]2c2ncc(Cc3cccc(Cl)c3)o2)n1 257246446 IUEQMHKQDLIFPC-GOSISDBHSA-N 412.877 3.148 0 40 HGAB COCCC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccc5c(c4)OCCO5)OCC[C@@]31C2 257254139 KBUVDQQGXKAKML-URWILZMRSA-N 415.530 3.493 0 40 HGAB CCOc1ccc(Cc2cccc([C@H]3CN(C(=O)c4ccc(N)nc4)CCO3)n2)cc1 257301777 RZWRUJPZDZTDRE-JOCHJYFZSA-N 418.497 3.262 0 40 HGAB O=C(O)Cn1cc(CN2CCC[C@H](c3nccnc3-c3ncc[nH]3)C2)c2ccccc21 257334161 YEUJDXXPWOSQNG-INIZCTEOSA-N 416.485 3.286 0 40 HGAB CC(=O)O[C@@H]1C[C@@]2(C)[C@H](OC(C)=O)CC[C@@H]2[C@@H]2CC(=O)[C@@]3(O)CCCC[C@]3(C)[C@H]21 257348311 DFIRLJQMOGCRHN-ILTDKKBYSA-N 406.519 3.186 0 40 HGAB COC(=O)c1ccccc1NC(=O)CSc1nnc(COc2ccccc2F)o1 408527026 JASCLXJOTXNRTQ-UHFFFAOYSA-N 417.418 3.305 0 40 HGAB CCCCNC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(OC)c(C)c1 408533358 QKPNUGDYJVKPBD-UHFFFAOYSA-N 418.559 3.153 0 40 HGAB CCCCNC(=O)COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 409391330 NEECMHANXBQQCE-UHFFFAOYSA-N 402.516 3.123 0 40 HGAB Cc1ccc(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@]4(C(=O)Nc5c(C)cc(C)cc54)[C@@H]3C2=O)cc1 504485255 YPCMCWLQNKCUTE-ZDQHKECQSA-N 415.493 3.043 0 40 HGAB biogenic Cc1ccc(C)c(-n2ncc(NCc3nnc4n(C)c(=O)c5ccccc5n34)c2C)c1 506270900 VVNDUZKUCHMLDB-UHFFFAOYSA-N 413.485 3.304 0 40 HGAB COc1cc(CN(C)C[C@@H](O)Cn2ccc3ccccc32)ccc1OCCN(C)C 585271720 GSWWIYIWQMAOCH-OAQYLSRUSA-N 411.546 3.083 0 40 HGAB Cn1cc(N2CCC[C@H](NCc3ncc(-c4ccc(Br)cc4)[nH]3)C2)cn1 608061554 KPVVNVCDBGPZAN-INIZCTEOSA-N 415.339 3.331 0 40 HGAB CC(C)(C)c1ccc(OCC2CCN(C(=O)c3nnc(O)c4ccccc34)CC2)nn1 1775965749 FFLZMQAIRNLQAK-UHFFFAOYSA-N 421.501 3.354 0 40 HGAB O=C(NCC(=O)N1CCC[C@@H]1c1ncc(Cc2ccccc2F)o1)c1ccccc1 1848353975 KQLHAQFPQJUSQT-HXUWFJFHSA-N 407.445 3.498 0 40 HGAB COc1cccc(CC(=O)N2CCC(Cn3cnc4cc(F)ccc4c3=O)CC2)c1 1848654818 SSKMTODKTODHIZ-UHFFFAOYSA-N 409.461 3.026 0 40 HGAB CC(C)NC(=O)[C@H](C)N1CCN(c2ccc3ccc(Br)cc3n2)CC1 2086868864 SSLPIOGYTOXRHZ-AWEZNQCLSA-N 405.340 3.032 0 40 HGAB O=C(c1cccc(Br)c1)N1N=C(C(F)(F)F)C[C@]1(O)c1cccnc1 713093 IEPZKEZQHMGWMW-HNNXBMFYSA-N 414.181 3.454 0 40 HGAB CN(Cc1ccccc1)C(=O)CN(C)S(=O)(=O)c1cc(Cl)ccc1Cl 982724 JPEMVUCOXOGTOK-UHFFFAOYSA-N 401.315 3.273 0 40 HGAB Cc1cc(C)cc(NC(=O)N2CCC[C@H]2C(=O)Nc2ccc(-n3cnnn3)c(C)c2)c1 1343099 CMKKECXJYCYRDB-FQEVSTJZSA-N 419.489 3.223 0 40 HGAB COc1ccc(CNC(=O)CN(C(=O)c2csnn2)c2cccc(C)c2C)cc1 1346507 FSCZYWDGZZVHAO-UHFFFAOYSA-N 410.499 3.127 0 40 HGAB Cc1nn(-c2ccccc2)c2c1cc1c(=O)n(C)c(=O)nc-1n2-c1ccccc1Cl 2261824 CRCQCTXDAFBGKA-UHFFFAOYSA-N 417.856 3.337 0 40 HGAB CCOc1ccc(-n2c(S[C@@H](CC)C(=O)OC)nc3c(c2=O)SCC3)cc1 2496868 NUTWMDVDSKRZJM-HNNXBMFYSA-N 406.529 3.323 0 40 HGAB CN(C)[C@H](CNC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)c1ccco1 3378650 JMMDTGNTPCFMCW-SJLPKXTDSA-N 403.910 3.204 0 40 HGAB COc1ccccc1Nc1nnc(SCC(=O)NC(=O)NCc2ccco2)s1 3494467 NJEHJQNDXPWMIZ-UHFFFAOYSA-N 419.488 3.001 0 40 HGAB C[C@H](OC(=O)c1cccc(I)c1)C(=O)N1CCc2ccccc21 3544606 BYXCNLZHSZFJBK-LBPRGKRZSA-N 421.234 3.426 0 40 HGAB O=C(COC(=O)c1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)cc1)c1ccccc1 4157216 XSMIQSJYQZSIAO-JWWGGVBKSA-N 401.418 3.038 0 40 HGAB Cc1cc(NC(=O)[C@@H](C)N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2=O)cc(C)c1Br 4553372 SRVMAAVBPGJDNM-QUEVPRLRSA-N 419.319 3.424 0 40 HGAB CCOC(=O)c1c(NC(=O)CSc2nc(-c3ccncc3)n[nH]2)sc(C)c1C 4625563 WYSUWXZFBVLPCP-UHFFFAOYSA-N 417.516 3.453 0 40 HGAB CCC(C)(C)NC(=O)CN(C(=O)CCC(=O)Nc1nccs1)c1cccc(F)c1 4848375 KSHBWNQAXFWASB-UHFFFAOYSA-N 420.510 3.339 0 40 HGAB COc1cc(OC)c(NC(=O)CCCn2cnc3ccccc3c2=O)cc1Cl 5203362 UQGXOHXJXZQSLP-UHFFFAOYSA-N 401.850 3.486 0 40 HGAB CCCc1cc(=O)n(CC(=O)Nc2ccc(OCC)cc2)c(-n2nc(C)cc2C)n1 5254720 ZVTDYEDYXPDROQ-UHFFFAOYSA-N 409.490 3.036 0 40 HGAB Cc1ccc(OCc2nnc(SCC(=O)N[C@@H](C)c3ccccc3)n2N)c(C)c1 5321026 LLABZTXULLJAAU-INIZCTEOSA-N 411.531 3.157 0 40 HGAB CC(C)n1cnnc1SCC(=O)Nc1ccc(I)cc1 5417545 JCHPGJCSRPZQIW-UHFFFAOYSA-N 402.261 3.194 0 40 HGAB COc1ccccc1N1CCN(C(=O)CC(C)(C)CC(=O)Nc2cccnc2)CC1 6324715 DXUYQNIIVGSHDK-UHFFFAOYSA-N 410.518 3.184 0 40 HGAB CCc1nn2c(=O)cc(CSc3nc(C4CC4)n(-c4ccccc4)n3)nc2s1 6588366 XCEGQTDGRWKCAC-UHFFFAOYSA-N 410.528 3.464 0 40 HGAB COCCn1c(SCC(=O)c2c[nH]c(C(=O)N3CCCC3)c2)nc2ccccc21 9378183 SXHDSRTVVOSOHK-UHFFFAOYSA-N 412.515 3.222 0 40 HGAB Cn1c(=O)c2c(-c3ccccc3)n3c(c2n(C)c1=O)[C@H](c1cccc(Cl)c1)OCC3 9429367 YPQHLZJTJHTXBT-NRFANRHFSA-N 421.884 3.479 0 40 HGAB Cc1ccc(-n2c(=O)[nH]c3c(C(=O)Nc4ccc(C)cc4C)cn(C)c3c2=O)cc1 9820880 VCLJREWNUFSZKY-UHFFFAOYSA-N 402.454 3.195 0 40 HGAB CCc1ccc(S(=O)(=O)NCCOc2ccc(-c3ccc(F)cc3)nn2)cc1 9852870 JVKRQYDBCAJWSN-UHFFFAOYSA-N 401.463 3.202 0 40 HGAB Cc1cc(C)cc(-n2c(-c3ccc(F)cc3)cn3c4c(=O)[nH]c(=O)n(C)c4nc23)c1 10104480 IMSUWDIZQFFMIB-UHFFFAOYSA-N 403.417 3.088 0 40 HGAB CC[C@H](C)NC(=O)CN1C(=O)N(c2ccc(C)cc2)S(=O)(=O)c2ccccc21 10272709 HXIKHFAAIOQOMC-HNNXBMFYSA-N 401.488 3.045 0 40 HGAB O=S(=O)(NC1CC1)c1cccc(NS(=O)(=O)c2cccc(Cl)c2Cl)c1 10518270 LDCYBZOCCNKNQJ-UHFFFAOYSA-N 421.327 3.235 0 40 HGAB N#Cc1ccc(OCC(=O)N(Cc2ccccc2)Cc2nc3ccccc3c(=O)[nH]2)cc1 11749705 NWGYDZGMSYGONY-UHFFFAOYSA-N 424.460 3.403 0 40 HGAB O=C(c1cccnc1)N1CCc2ccc(NS(=O)(=O)CCc3ccccc3)cc21 11906519 GHJCXSRIXRCTQY-UHFFFAOYSA-N 407.495 3.269 0 40 HGAB O=C(Nc1nonc1-c1ccc(Cl)cc1)c1nn(-c2ccc(F)cc2)ccc1=O 11915747 LDUBDJZEVCQHGS-UHFFFAOYSA-N 411.780 3.327 0 40 HGAB COc1cc(NC(=O)Cc2cc(Cl)c3c(c2)OCCO3)ccc1N1CCCC1=O 12077377 QFVUSSDEWSVGGQ-UHFFFAOYSA-N 416.861 3.428 0 40 HGAB CCCc1cc(=O)[nH]c(-n2nc(C3CC3)cc2NC(=O)c2cc(-c3ccco3)on2)n1 12125827 BCIPWXGSEWFRKE-UHFFFAOYSA-N 420.429 3.286 0 40 HGAB Cn1cc(Cl)c([C@H]2CCCCCN2S(=O)(=O)c2ccc3c(c2)OCCO3)n1 12159686 WPPAYKLFTDOLOL-OAHLLOKOSA-N 411.911 3.151 0 40 HGAB Cc1nccn1[C@@H](C)CC(=O)N1CCC[C@@H](c2nc3ccccc3cc2C(N)=O)C1 12221636 GGEHCOGTQONVSV-MAUKXSAKSA-N 405.502 3.196 0 40 HGAB COc1ccccc1OCC(=O)N1CCC[C@H](c2nc3ccccc3cc2C(N)=O)C1 12255756 JWFGBTIJHZFDCV-KRWDZBQOSA-N 419.481 3.127 0 40 HGAB COc1ccc(-c2cc(=O)[nH]c(Nc3nc(C)c4cccc(OC)c4n3)n2)cc1OC 12322742 OGIOCLWMNCQHLU-UHFFFAOYSA-N 419.441 3.458 0 40 HGAB CCc1ccc([C@H](CNC(=O)CNC(=O)Cc2cccc3ccccc23)N(C)C)cc1 12753416 KXGZIQNCVYBYCS-DEOSSOPVSA-N 417.553 3.480 0 40 HGAB COc1cc(/C=C/C(=O)N2CCC(C(=O)NCc3ccccc3)CC2)cc(OC)c1 12806405 QECDGRNHLJRCTJ-CMDGGOBGSA-N 408.498 3.272 0 40 HGAB O=C(CSc1nnc(C2CC2)o1)Nc1cc(C(F)(F)F)ccc1-n1cncn1 12806990 ILEFJWRGJNPOSS-UHFFFAOYSA-N 410.381 3.277 0 40 HGAB C[C@H]1CCc2nc(NC(=O)c3cccc(S(=O)(=O)N4CCCC4)c3)sc2C1 12852815 MRYTYZXMTSWOOJ-ZDUSSCGKSA-N 405.545 3.305 0 40 HGAB O=C(CCn1ncc(=O)c2ccccc21)NCc1ccccc1CN1CCCCC1 12905107 WEQSPUUTKUNULT-UHFFFAOYSA-N 404.514 3.089 0 40 HGAB COC(=O)c1ccc(CN(C)C(=O)C2=NN(c3cc(C)ccc3C)C(=O)CC2)cc1 13016461 GCMNJLDPHFCQGR-UHFFFAOYSA-N 407.470 3.231 0 40 HGAB CCc1nnc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc3ccccc3c2)s1 13549466 AZTPZIWJNXEFAE-MRXNPFEDSA-N 416.528 3.046 0 40 HGAB COc1cccc(NC(=O)Cn2c3ccc(F)cc3c3nc4n(c(=O)c32)CCS4)c1 13591976 WODYYMMQDXANNF-UHFFFAOYSA-N 424.457 3.243 0 40 HGAB O=C(CSc1nc2ccccc2o1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 14170289 QQKMVFFUOZLVDF-UHFFFAOYSA-N 408.483 3.427 0 40 HGAB CCOC(=O)C1=C(N)Oc2c(c(=O)[nH]c3ccccc23)[C@@H]1c1ccccc1OCC 14608293 VGZNVNNBWIXNQG-KRWDZBQOSA-N 406.438 3.185 0 40 HGAB O=C(CN(C(=O)c1csnn1)c1ccc(F)c(Cl)c1)NCc1ccc(F)cc1 15935877 TWKSEYHKWVJECA-UHFFFAOYSA-N 422.844 3.433 0 40 HGAB O=C(O)[C@@H]1CCCC[C@H]1C(=O)Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1 17088016 TYUQOEUNCZTNER-QZTJIDSGSA-N 408.520 3.127 0 40 HGAB Cc1ccccc1[C@@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 17963377 SEQYEQFLXUJJAD-MRXNPFEDSA-N 404.507 3.412 0 40 HGAB Cc1cc(-c2cnc(N3CCCC3)nc2[C@H]2CCCN(Cc3cn(C)nc3C)C2)on1 19122256 HOPWLTUAXMUYAA-SFHVURJKSA-N 421.549 3.462 0 40 HGAB O=C([C@H]1CCCO1)N1CCc2nc(N3CCCC3)nc(Nc3cccc(F)c3)c2C1 19293965 OUFJOKVIDXJIAA-LJQANCHMSA-N 411.481 3.023 0 40 HGAB CC(C)N1CCC(C(=O)N2CCC[C@@H]2c2nc(N(C)C)ncc2-c2ccncc2)CC1 19447773 UFENPHRPVIQSKJ-OAQYLSRUSA-N 422.577 3.389 0 40 HGAB COCC(=O)N1CCC[C@@](Cc2ccccc2-c2cccnc2)(C(=O)NC(C)C)C1 19448811 OEBYJIBSXBTUQB-DEOSSOPVSA-N 409.530 3.071 0 40 HGAB CCC[C@H]1C[C@@](O)(Cn2cnc3c(c(C)c(C)n3Cc3ccccc3)c2=O)CCN1 19502087 PBRXHBHONRNLGG-GBXCKJPGSA-N 408.546 3.146 0 40 HGAB COc1ccc(-c2nnc3n2[C@H]2CCCC[C@@H]2N(C(=O)c2cccnc2)C3)cc1OC 19561692 MTJCJODGHZFANG-ROUUACIJSA-N 419.485 3.497 0 40 HGAB COc1ccc(N2C[C@H](NC(=O)c3ccc4[nH]c(C(F)(F)F)nc4c3)CC2=O)cc1 19662322 QLVLKTMXBIXLFM-GFCCVEGCSA-N 418.375 3.126 0 40 HGAB O=C1Nc2ccccc2[C@@H]1CCC(=O)N1CCN(c2nc3ccccc3s2)CC1 19664817 YAYWLHYIKAEPPG-INIZCTEOSA-N 406.511 3.461 0 40 HGAB CCn1nc(C)c(NC(=O)CN2CCC[C@@H](Cc3nc4ccc(F)cc4[nH]3)C2)c1C 19715499 UAAVDCNCPFARIX-INIZCTEOSA-N 412.513 3.428 0 40 HGAB CC[C@@H](NC(=O)[C@H](C)N(c1ccc(C)cc1)S(C)(=O)=O)c1ccc(OC)cc1 19934542 IFWUDEVGKXJRSY-OXJNMPFZSA-N 404.532 3.426 0 40 HGAB COc1ccc([C@H](C)NC(=O)CN(C)S(=O)(=O)c2c(C)cc(C)cc2C)cc1 20013128 OFTXEPGHPFRJNR-KRWDZBQOSA-N 404.532 3.118 0 40 HGAB CCN(CC(=O)Nc1ccc(F)c(F)c1F)S(=O)(=O)c1cc(C)ccc1OC 20014807 VHTWOKJZSUFFBU-UHFFFAOYSA-N 416.421 3.070 0 40 HGAB CC[C@@H](NC(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O)c1ccc(OC)cc1 20042916 MKMNRPIANNFEML-HXUWFJFHSA-N 404.532 3.346 0 40 HGAB Cc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCN2CCOCC2)cc1 20308536 ZSJBSIVUDFHWCY-QFIPXVFZSA-N 418.493 3.287 0 40 HGAB CCN(CC)[C@@H](CNC(=O)c1cc(OC)c2c(c1)OCCO2)c1cccc(OC)c1 22700629 RSFMXDQTAYZRKL-IBGZPJMESA-N 414.502 3.288 0 40 HGAB CCc1cc2c(CN3CCN(Cc4ccc(OC)cc4)CC3)cc(=O)oc2cc1O 23303747 LELVPCKRLCCJBL-UHFFFAOYSA-N 408.498 3.387 0 40 HGAB CNC(=O)NC(=O)[C@H](c1ccccc1)N(C)Cc1cc(Br)ccc1OC 23995957 DQLPDZZDPIRGNO-KRWDZBQOSA-N 420.307 3.086 0 40 HGAB Cc1ccc(CNC(=O)C2CCN(S(=O)(=O)Cc3cccc(C)c3)CC2)cc1 24611848 IQWRYCKNDOYETB-UHFFFAOYSA-N 400.544 3.162 0 40 HGAB O=C(Nc1ccc2c(c1)OCCO2)c1ccc(Cn2cc(Br)cn2)o1 27980813 AVGYMYKILDMOLU-UHFFFAOYSA-N 404.220 3.310 0 40 HGAB O=C1CCCc2[nH]c(=O)c(C(=O)NCc3ccccc3COc3ccccc3)cc21 30511152 OUONZTPWJCADKX-UHFFFAOYSA-N 402.450 3.403 0 40 HGAB Cc1cccc(N2CCN(CCNC(=O)c3cc(Br)ccc3F)CC2)c1 31544316 AFOOQANOPHSVDH-UHFFFAOYSA-N 420.326 3.449 0 40 HGAB CCN(CC)C(=O)[C@@H](C)NC(=O)/C=C/c1cccc(OCc2csc(C)n2)c1 32925704 WHFOSBREXZKPMO-AUECHBEKSA-N 401.532 3.417 0 40 HGAB Cc1cc(C(=O)Nc2ccc(NC(=O)Nc3ccccc3)cc2)c2c(=O)[nH]n(C)c2n1 32945599 KYCFGNOWKLWZGY-UHFFFAOYSA-N 416.441 3.466 0 40 HGAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(OC)c4ccccc34)C2=O)o1 33623189 HFFGLULFYMFQEX-BOPFTXTBSA-N 406.394 3.321 0 40 HGAB O=C(Nc1cccc(C(=O)N2CCC[C@@H]2c2nnc3n2CCCCC3)c1)[C@@H]1CCCO1 40080360 OTSRLOHUYCTWLL-MOPGFXCFSA-N 423.517 3.099 0 40 HGAB O=C(Cc1ccccc1)N1CCN(C(=O)Cc2csc(Cc3ccccc3)n2)CC1 40106793 SSTBJYTUMYOBAY-UHFFFAOYSA-N 419.550 3.190 0 40 HGAB Cc1occc1-c1nnc(SCCC(=O)Nc2ccc(Br)cc2)n1N 40127356 DDQQCMUAKQHMPT-UHFFFAOYSA-N 422.308 3.444 0 40 HGAB COc1ccc(OC)c([C@H](C)NC(=O)[C@@H]2CCCN(c3ccc(Cl)nn3)C2)c1 40131402 BKFQIDINDQHUPC-UONOGXRCSA-N 404.898 3.241 0 40 HGAB CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)O 44123813 ARWIWKBRNYMFJM-DBVUQKKJSA-N 412.486 3.140 0 40 HGAB O=C(Cn1ncc(-c2ccc(Cl)cc2)nc1=O)Nc1ccc(Br)cc1 44804086 FLHFCZQNONHTBE-UHFFFAOYSA-N 419.666 3.360 0 40 HGAB CC(=O)c1cccc(NC(=O)Cn2c(=O)nc(N3CCC(C)CC3)c3ccccc32)c1 49004252 WYRHVCNEBNLWEY-UHFFFAOYSA-N 418.497 3.474 0 40 HGAB COc1cc(OC)c(NC(=O)CSc2cc(-n3nccc3C)ncn2)cc1Cl 49404351 WKPONVZGKFRUGF-UHFFFAOYSA-N 419.894 3.372 0 40 HGAB C[C@@H](C(=O)N1CCc2[nH]c3ccccc3c2C1)N1CCN(c2ccccc2F)CC1 57061386 BRKFTLGDLPCSIV-KRWDZBQOSA-N 406.505 3.402 0 40 HGAB O=C(/C=C/c1c(Cl)nc2ccccn12)NCCc1cc(F)cc2c1OCOC2 57267174 QUTLYTJUDIHIOO-SNAWJCMRSA-N 401.825 3.365 0 40 HGAB CCCCn1c(=O)c2sccc2n(CC(=O)Nc2ccc(Cl)cc2F)c1=O 57427207 GHRQVRJUVWBCAS-UHFFFAOYSA-N 409.870 3.456 0 40 HGAB COc1ccc(-c2cc(C(=O)N3CCN(c4ccc(C)cc4)CC3)n[nH]2)c(OC)c1 57477199 GUKZZABNNRHLML-UHFFFAOYSA-N 406.486 3.365 0 40 HGAB C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)OCCN1CCCCCC1=O 61081598 XUJHGBAXMBVINA-LBPRGKRZSA-N 401.290 3.058 0 40 HGAB COc1ccc(C)cc1-n1ccc(/C(O)=N/S(=O)(=O)c2cc(F)ccc2F)n1 65484468 SHUMCUVWRGWFAC-UHFFFAOYSA-N 407.398 3.161 0 40 HGAB COc1ccc(Cn2cnc3c(cnn3-c3ccc(Br)cc3)c2=O)cc1 67257924 ATPPFCSGOWRWFK-UHFFFAOYSA-N 411.259 3.402 0 40 HGAB O=C(NCc1ccncc1)c1ccc(NC(=O)N2CCN(c3ccccc3)CC2)cc1 71282743 BJNFCUWOLMFLNW-UHFFFAOYSA-N 415.497 3.366 0 40 HGAB O=S(=O)(c1cccnc1)N1CCC2(CC1)C[C@@H]2c1nnc(-c2cccc(F)c2)o1 71890641 GEIWLWCNLHDTGZ-QGZVFWFLSA-N 414.462 3.229 0 40 HGAB CCOc1ccccc1NC(=O)CCS(=O)(=O)c1ccc2c(c1)OCCCO2 72294598 XKZGIVGAUAXHHK-UHFFFAOYSA-N 405.472 3.049 0 40 HGAB O=C(NC1CCCC1)N1CCC[C@@H](C(=O)N2CCN(c3cccc(Cl)c3)CC2)C1 78964298 SWPHPWREGZTMDT-QGZVFWFLSA-N 418.969 3.353 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCN(Cc3nc4ccc(F)cc4o3)CC2)c(C)c1 79097949 MIITYVCMYHXQGO-UHFFFAOYSA-N 403.479 3.090 0 40 HGAB CC(C)(C)c1csc(CCNC(=O)[C@@H]2CCCN(c3ccc(Cl)nn3)C2)n1 79486887 XYGKYWPJAHAKTQ-CYBMUJFWSA-N 407.971 3.459 0 40 HGAB Cc1ccc(C(=O)NCCC(=O)NCc2ccc(Oc3ccc(F)cc3)nc2)c(O)c1 95349005 SUTXRJAUPGHEGZ-UHFFFAOYSA-N 423.444 3.463 0 40 HGAB CCOc1ccc(C(=O)N2CCC(NC(=O)COc3ccc(C(C)=O)cc3)CC2)cc1 95469753 WZDXBRKQZXHPNP-UHFFFAOYSA-N 424.497 3.088 0 40 HGAB O=C(CN1CCC[C@@H](c2ncc[nH]2)C1)NCc1cccc(COCc2ccco2)c1 95962942 FDIWBQRVDSFBEW-HXUWFJFHSA-N 408.502 3.215 0 40 HGAB CCc1ccc(S(=O)(=O)N2CC[C@@]3(C[C@@H]3C(=O)Nc3cccc(F)c3)C2)cc1 96227267 QZQJKKDRPXXYTJ-TZIWHRDSSA-N 402.491 3.428 0 40 HGAB Cc1ccc(-c2noc([C@@H]3CCCN(S(=O)(=O)c4c(C)n[nH]c4C)C3)n2)cc1F 97001958 QYPKFNZJBHDOAR-OAHLLOKOSA-N 419.482 3.092 0 40 HGAB COC(=O)[C@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)c1ccccc1Br 206802566 GIUQQZBFNZTWCQ-MLGOLLRUSA-N 422.250 3.423 0 40 HGAB CCOCCCNc1ccc(C(=O)O)cc1S(=O)(=O)N[C@@H](C)c1ccccc1 217479742 BYJFJTTUGBTVMO-HNNXBMFYSA-N 406.504 3.263 0 40 HGAB CCOC(=O)[C@@]1(N)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(Cl)cc1 218535125 SUKOTUMNTYNMIY-BQFCYCMXSA-N 414.310 3.194 0 40 HGAB CCOC(=O)CN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1ccc(F)cc1 224914679 BTNOMIJIKMBXBO-UHFFFAOYSA-N 401.843 3.246 0 40 HGAB CC(C)Oc1ccc(NC(=O)[C@@]23C[C@@H]2CN(Cc2ccccc2)S3(=O)=O)cc1 225947980 VGDABPJMCMAKJZ-DYESRHJHSA-N 400.500 3.017 0 40 HGAB O=C(NCCC1=CCCCC1)C(=O)NC[C@](O)(c1ccsc1)c1cccs1 244983778 IQWUDHRJDGMDFH-FQEVSTJZSA-N 404.557 3.168 0 40 HGAB CCOc1ccc(N2C[C@@H](C(=O)NCCCCN3CCCC[C@H]3C)CC2=O)cc1 245225262 QXHIVMDJNHJBNT-MOPGFXCFSA-N 401.551 3.209 0 40 HGAB CC(C)Oc1ccc([C@@H]2CN(C(=O)c3cccc(-c4cncnc4)n3)CCN2C)cc1 257283366 OXZIYIUGUGEYOH-QHCPKHFHSA-N 417.513 3.455 0 40 HGAB Cc1nc([C@@H]2CCN(C(=O)[C@@H](C)c3ccccc3)C2)nc(C)c1CC(=O)N1CCCC1 257311830 ULEOWPJLROFOCY-LAUBAEHRSA-N 420.557 3.378 0 40 HGAB Cc1cc(N2CCC[C@](C)(c3ccc4c(N)c(C(=O)N(C)C)sc4n3)C2)ncn1 257319810 VUDXNIBSUVCBFT-NRFANRHFSA-N 410.547 3.237 0 40 HGAB CCC[C@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2OC)C1 408562212 OEAGJIOGEYHWFM-KBPBESRZSA-N 402.944 3.054 0 40 HGAB COc1ccc(NC(=O)CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)cc1 408913332 SVGMYEPEAIWABD-UHFFFAOYSA-N 403.287 3.407 0 40 HGAB CC(C)NC(=O)N1C[C@@H]2CC[C@H](CNC(=O)C3CC(F)(F)C3)N2Cc2ccccc21 1565556525 MMUFYMAHGRHJDE-MSOLQXFVSA-N 420.504 3.119 0 40 HGAB CC(C)(Oc1ccc(Cl)cc1)C(=O)NCC1(N2CCOCC2)CCSCC1 1776009347 FMRWVRYGLUZXJE-UHFFFAOYSA-N 412.983 3.212 0 40 HGAB CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)C)N3CCC(C)CC3)cc2c1 782697 ZORMNJNUCSNEBZ-FQEVSTJZSA-N 424.549 3.490 0 40 HGAB O=C(C(c1ccccc1)c1ccccc1)N1CCN(S(=O)(=O)c2ccccc2)CC1 782955 ADOFNDWKYDRHBL-UHFFFAOYSA-N 420.534 3.352 0 40 HGAB COc1ccc(CCNC(=O)CSc2nnc(-c3cccc(F)c3)o2)cc1OC 928214 LDSHIOYJAPRJKN-UHFFFAOYSA-N 417.462 3.344 0 40 HGAB CCOc1cc(N2CCOCC2)c(OCC)cc1NS(=O)(=O)c1ccccc1F 2636389 DQFQXMZYXUHNAR-UHFFFAOYSA-N 424.494 3.261 0 40 HGAB COc1ccccc1Nc1nnc(SCC(=O)NC(=O)NCCC(C)C)s1 3494493 VEOSLBUEAHJOSD-UHFFFAOYSA-N 409.537 3.254 0 40 HGAB Cc1cnc(C(=O)OCC(=O)Nc2sc3c(c2C(=O)OC(C)C)CCCC3)cn1 3513260 FPPWWNXSOVEHCC-UHFFFAOYSA-N 417.487 3.086 0 40 HGAB COc1ccc(OC)c(S(=O)(=O)Nc2cc(Cl)c3oc(=O)sc3c2)c1 3653709 FRWGQKGJWZXYIV-UHFFFAOYSA-N 401.849 3.326 0 40 HGAB Cc1cc(C)c(NC(=O)CNC(=O)COC(=O)c2ccc3ccccc3c2O)c(C)c1 5039258 NJMMDFMZGRFLGH-UHFFFAOYSA-N 420.465 3.382 0 40 HGAB CNC(=O)NC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(Cl)cc1 5093744 XFKRJNCKPGGYCS-UHFFFAOYSA-N 415.906 3.444 0 40 HGAB COc1ccc([C@H](C)N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)OCc3ccccc3)[C@H]4C2=O)cc1 5163908 IWQFKCBKKFOHQE-IQTYKNOPSA-N 419.477 3.282 0 40 HGAB COc1cc(-c2ccc(SCC(=O)NC3CCCC3)nn2)cc(OC)c1OC 5411493 RUXXYLBBSXXNOY-UHFFFAOYSA-N 403.504 3.320 0 40 HGAB COc1cc(-c2nn3c(Cn4cnc5ccccc54)nnc3s2)cc(OC)c1OC 6136342 DGDLMGACXWNGIQ-UHFFFAOYSA-N 422.470 3.277 0 40 HGAB CCOC(=O)C(=O)Nc1sc(C(=O)Nc2cccc(Cl)c2)c(C)c1C(=O)OC 6544836 IXVDWAPZQZVENG-UHFFFAOYSA-N 424.862 3.250 0 40 HGAB CCCOc1ccccc1C(=O)N(Cc1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 6810929 NWEWWTFPKGWONA-SFHVURJKSA-N 417.527 3.314 0 40 HGAB Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)c(C)n1-c1cccc(F)c1 6962009 PMHZZMNSMNPZMP-VXLYETTFSA-N 404.401 3.295 0 40 HGAB CCCCNc1nnc(S[C@H](C)C(=O)c2ccc(NS(C)(=O)=O)cc2)s1 6981047 ZXBXVXPBMRLYAM-LLVKDONJSA-N 414.578 3.485 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)Cc2cc(C(C)=O)ccc2OC)cc1 7518789 ISEBRVYIOCGFQU-UHFFFAOYSA-N 418.515 3.110 0 40 HGAB Cc1cc(NC(=O)[C@@H](C)OC(=O)c2ccccc2C(=O)N(C)Cc2ccccc2)no1 7629459 INOHMVAEAKHZSG-MRXNPFEDSA-N 421.453 3.439 0 40 HGAB Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CN(C)Cc1cc(-c2cccs2)on1 7874849 PETPKKRMTCJTSH-INIZCTEOSA-N 420.560 3.208 0 40 HGAB COC(=O)c1ccc2c(=O)[nH]c(COC(=O)CCCc3c[nH]c4ccccc34)nc2c1 7987768 GDFLIASQOXPLBT-UHFFFAOYSA-N 419.437 3.257 0 40 HGAB CCOc1ccc(NC(=O)CN2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 8153392 MYWJOUSUXVGNGI-UHFFFAOYSA-N 408.424 3.260 0 40 HGAB O=C([C@H]1CN(C(=O)C2=Cc3ccccc3OC2)c2ccccc2O1)N1CCCCC1 8266168 KWPABVKNLRCBEM-JOCHJYFZSA-N 404.466 3.269 0 40 HGAB O=C(CCC(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1)c1cccs1 8327073 JMCSBJCTVDBRDR-UHFFFAOYSA-N 414.483 3.317 0 40 HGAB COc1cccc(-n2ccnc2SCC(=O)NC[C@@H](c2ccccc2)N(C)C)c1 8342480 QMBZJYRRLKULIK-FQEVSTJZSA-N 410.543 3.392 0 40 HGAB Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCCc2ccccc2)cc1 10146589 LXTLRQQSUAETSQ-QHCPKHFHSA-N 422.550 3.244 0 40 HGAB O=C1CC[C@@H](C(=O)NC[C@@H]2Cc3cccc(-c4ccccc4C(F)(F)F)c3O2)N1 12029833 BGCIBBJNESGHRL-GUYCJALGSA-N 404.388 3.071 0 40 HGAB Cc1ccc(N2CCCC2=O)cc1S(=O)(=O)N1CCCCC[C@H]1c1ccn(C)n1 12159653 FOASRJXEUBFWHN-IBGZPJMESA-N 416.547 3.161 0 40 HGAB Cc1ccc(-n2c(S[C@H](C)C(=O)NCC(F)(F)F)nnc2N2CCCC2)cc1 12554184 VORWEDBPUZBVFR-CYBMUJFWSA-N 413.469 3.335 0 40 HGAB Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)NCCCOCC2CC2)cc1 12605472 ULPUMXYGYPHASZ-UHFFFAOYSA-N 402.516 3.342 0 40 HGAB O=C([C@@H]1CC(=O)N(c2ccc(Br)cc2)C1)N1CCc2sccc2C1 12740659 SCHSZQVTJRPQCZ-CYBMUJFWSA-N 405.317 3.448 0 40 HGAB COc1ccc(CC[C@@]2(C)NC(=O)N(CC(=O)c3ccc4c(c3)CCC4)C2=O)cc1 12749548 GJDUUYSXYTVTPL-XMMPIXPASA-N 406.482 3.310 0 40 HGAB CSc1ccc(C)c(C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2O)c1 12750480 DIMKAJFPSZNEIB-UHFFFAOYSA-N 406.529 3.459 0 40 HGAB CC(C)N(Cc1ccccc1)C(=O)CN1CCC(C(=O)Nc2ccccc2O)CC1 12757635 MWCIOPMTCAALIF-UHFFFAOYSA-N 409.530 3.480 0 40 HGAB Cc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)NC[C@@H]3CCCO3)c2)c(O)c1 12858438 ZPMREWJWBQDZMP-AWEZNQCLSA-N 424.906 3.064 0 40 HGAB COc1ccc(OCCN(C)CN2C(=O)NC3(CCC(C(C)(C)C)CC3)C2=O)cc1 12880933 APZKTRSUWJNBLM-UHFFFAOYSA-N 417.550 3.490 0 40 HGAB CCS(=O)(=O)N1CCC(NC(=O)CC(c2ccccc2)c2ccccc2)CC1 13006503 XOHJUGSHQNZHNN-UHFFFAOYSA-N 400.544 3.139 0 40 HGAB COc1ccc(NCC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)cc1Cl 13131707 AJSKGILQMZUBNC-UHFFFAOYSA-N 423.922 3.184 0 40 HGAB C[C@H]1CCc2c(sc3nc(SCC(=O)N4C[C@H](C)O[C@H](C)C4)nc(N)c23)C1 13208782 WPLATDHKNTZVAH-SDDRHHMPSA-N 406.577 3.126 0 40 HGAB Cc1ccc2c(c1)C(=O)C[C@H]([C@@H]1CCCN(C(=O)CSc3nnc(C)o3)C1)O2 13227486 YFBPZGGSQWDPMV-RDTXWAMCSA-N 401.488 3.051 0 40 HGAB COc1cccc(-c2nnc3ccc(OCCNC(=O)Nc4cccs4)nn23)c1 13706551 WUERIODQMDFRLI-UHFFFAOYSA-N 410.459 3.062 0 40 HGAB C[C@@H](NC(=O)CCn1cnc2sccc2c1=O)c1ccccc1Br 14061370 GEDXHFMBUDQBBU-LLVKDONJSA-N 406.305 3.488 0 40 HGAB O=C1CCSc2ccc(C(=O)N3CCN(Cc4ccc5c(c4)CCO5)CC3)cc2N1 14183886 IXNSPHJOHKUVAG-UHFFFAOYSA-N 423.538 3.014 0 40 HGAB C[C@@H]1CCc2c(C(=O)N3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)csc2C1 14692360 XNRGBDIZQVJXDD-CQSZACIVSA-N 422.547 3.159 0 40 HGAB O=C(NC[C@H]1COc2ccccc2O1)c1nn(-c2ccc(F)cc2)c2c1CCCC2 14776803 YBWPQALPOKUJHN-KRWDZBQOSA-N 407.445 3.460 0 40 HGAB CC1(C)CS(=O)(=O)N(c2ccc(C(=O)Nc3ccc(F)c(Cl)c3)cc2)C1=O 15843212 MOTAIBMFHWILKX-UHFFFAOYSA-N 410.854 3.434 0 40 HGAB CCCCCCNC(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(CCc4c[nH]c5ccccc45)C(=O)[C@H]13)O2 15894158 VHLZIJNLSWSJQK-MTQWNXOMSA-N 421.541 3.189 0 40 HGAB biogenic O=C(NC12CC3CC(CC(C3)C1)C2)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 17305469 AEKQLSVGNYJTHH-XDHFQJGLSA-N 420.550 3.311 0 40 HGAB COc1ccc(-c2noc([C@H]3CN(C(=O)COc4c(C)cccc4C)CCO3)n2)cc1 19236063 SAUFPGJXEZRJRG-LJQANCHMSA-N 423.469 3.341 0 40 HGAB O=C(NCCC[C@H]1CCOC1)C1(C[C@H]2CC(c3cccc(F)c3)=NO2)CCOCC1 19293668 GZGLCVWCIVVRGA-FXAWDEMLSA-N 418.509 3.439 0 40 HGAB COc1ccccc1OCC(=O)N[C@H](C)c1nc2cc(-c3ccccc3F)ncn2n1 19575554 QMAPEGDYQJLEGV-CQSZACIVSA-N 421.432 3.195 0 40 HGAB CCOc1ccc([C@H](C)NC(=O)CN(c2ccc(OCC)cc2)S(C)(=O)=O)cc1 20104921 BSKJHWRRTFZSLR-INIZCTEOSA-N 420.531 3.127 0 40 HGAB COc1ccc2[nH]cc([C@H](C(=O)O)N3CCN(c4ccc(C(C)=O)cc4)CC3)c2c1 20733602 ISXICCACJCIDDY-JOCHJYFZSA-N 407.470 3.327 0 40 HGAB CCc1ccc(-c2cc3c(=O)n(CC(=O)NCc4ccc(Cl)cc4)ncn3n2)cc1 21017750 OZLSGPVRNTZQOO-UHFFFAOYSA-N 421.888 3.090 0 40 HGAB O=C(Cn1c(=O)oc2ccccc21)Nc1ccccc1C(=O)NCCc1ccccc1 21248176 GAOORVOALBSOTQ-UHFFFAOYSA-N 415.449 3.206 0 40 HGAB COc1ccc(Br)c(C(=O)NCc2ccccc2CN2CCOCC2)c1 21934926 RLVJSXUVQSRBGY-UHFFFAOYSA-N 419.319 3.220 0 40 HGAB CCC[C@@H](C)NC(=O)COc1ccc(N(Cc2ccccc2)S(C)(=O)=O)cc1 22231316 IVGUHBOBSOPICB-QGZVFWFLSA-N 404.532 3.336 0 40 HGAB O=C(Nc1nc(-c2ccc3c(c2)OCCO3)cs1)c1cnn(-c2ccccc2)n1 23121385 PAUNIDXWEQXXCS-UHFFFAOYSA-N 405.439 3.414 0 40 HGAB CCn1cccc(-c2nnc(SCC(=O)Nc3ccc(Cl)cc3)n2C)c1=O 23136381 VFPNXRIKDVKWAY-UHFFFAOYSA-N 403.895 3.048 0 40 HGAB O=S(=O)(N[C@H](CN1CCOCC1)c1ccccc1)c1cc(Cl)cc(Cl)c1 24193288 PYDDNIWCPKKOEO-GOSISDBHSA-N 415.342 3.345 0 40 HGAB Cc1ccc(CS(=O)(=O)N2CCC(C(=O)NCc3ccccc3C)CC2)cc1 24609270 OYPFHSWRDRGITO-UHFFFAOYSA-N 400.544 3.162 0 40 HGAB CS(=O)(=O)Nc1nc(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cs1 24842969 HYTPWCKEPDGKKZ-UHFFFAOYSA-N 413.830 3.368 0 40 HGAB O=C(NCc1ccc(OC(F)(F)F)cc1)NCc1ccccc1CN1CCOCC1 28809596 OOPONPXUXYVDAI-UHFFFAOYSA-N 423.435 3.417 0 40 HGAB CCn1c(=O)[nH]c(=O)c2cc(C(=O)N(Cc3ccc(C(C)C)cc3)C3CC3)cnc21 30005724 GIRCOFQVYJVDDL-UHFFFAOYSA-N 406.486 3.033 0 40 HGAB COc1ccccc1N1C(SCc2cccc(F)c2)=N[C@H]2CS(=O)(=O)C[C@@H]21 32639850 OPNUPEKGGCYBGE-RDJZCZTQSA-N 406.504 3.109 0 40 HGAB Nn1c(SCc2csc(COc3ccc(F)cc3)n2)nnc1C(F)(F)F 32774354 RZBGRKZSPYBSGR-UHFFFAOYSA-N 405.402 3.478 0 40 HGAB COc1ccc(CC(=O)Nc2nn(C)c3c2[C@@H](c2ccccc2)CC(=O)N3)cc1OC 35597866 JFKPNJBYYYASBA-MRXNPFEDSA-N 420.469 3.093 0 40 HGAB Cc1ccccc1N1C(=O)[C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4c(Cl)cccc43)[C@@H]2C1=O 35851761 RXVQTQOBVYFGOD-DDOIHHOZSA-N 421.884 3.080 0 40 HGAB COc1cc(CNC(=O)c2nc(SC)ncc2Cl)ccc1OC[C@H]1CCCO1 36396039 NNTPLNCGRGOYCS-CYBMUJFWSA-N 423.922 3.348 0 40 HGAB Cc1nc2c(cnn2C(C)C)cc1C(=O)Nc1cccc(OCCn2cncn2)c1 40139148 RQGAZMPBPASADP-UHFFFAOYSA-N 405.462 3.243 0 40 HGAB CCCc1c(C(=O)Nc2ccc(OC)c(N3CCCC3=O)c2)[nH]c(C)c1C(=O)OC 40154261 OCWUQLCYYOUIKN-UHFFFAOYSA-N 413.474 3.450 0 40 HGAB C[C@H]1CN(c2ccc(CNC(=O)COc3ccc(C(F)(F)F)cc3)cn2)CCO1 44552859 XBBBWDWBYWTAPV-AWEZNQCLSA-N 409.408 3.021 0 40 HGAB CCOC(=O)c1ccc(NC(=O)c2ccc(NS(C)(=O)=O)c(C)c2)c(Cl)c1 44900974 JWTDDTPLHWTFBS-UHFFFAOYSA-N 410.879 3.449 0 40 HGAB O=C(Cc1ccc(F)cc1)NC1CCN(C(=O)c2cc(-c3ccccc3)n[nH]2)CC1 49406717 WZZARXCAOYXIMU-UHFFFAOYSA-N 406.461 3.179 0 40 HGAB O=C(CSc1nc2[nH]ncc2c(=O)n1-c1ccccc1)Nc1ccccc1Cl 51316707 WUYHIPKUFOOGBN-UHFFFAOYSA-N 411.874 3.493 0 40 HGAB CC(C)Cc1ccc(CC(=O)Nc2ccc(NC(=O)CN3CCOCC3)cc2)cc1 55122838 JZIGNDWKPYLFQL-UHFFFAOYSA-N 409.530 3.337 0 40 HGAB Cc1ccccc1N1CCN(CC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)CC1 57270851 NIYFMUMVEXMKPG-QFIPXVFZSA-N 421.541 3.252 0 40 HGAB Cc1cccc(C(=O)N2CCCC2)c1NC(=O)N[C@@H](Cn1cncn1)c1ccccc1 65563706 JALLILQCUFVRFS-FQEVSTJZSA-N 418.501 3.386 0 40 HGAB Cc1nc(C(=O)N2CCC[C@@H]2C(=O)Nc2nccs2)nn1-c1ccccc1C(C)C 70038824 BMVBHJCBUATIHJ-QGZVFWFLSA-N 424.530 3.399 0 40 HGAB Cc1ncc(C(=O)NC2CCN(CCOc3ccc(Br)cc3)CC2)s1 72288921 YRCHXXCZCAFCAH-UHFFFAOYSA-N 424.364 3.487 0 40 HGAB Cn1cnc(S(=O)(=O)N2CCC[C@@H](c3cccc(-c4cccc(F)c4)n3)C2)c1 72350315 VRLOURYWYLKYIS-MRXNPFEDSA-N 400.479 3.190 0 40 HGAB COc1ccccc1N1CCN(C(C)=O)[C@H](Cc2ccccc2Br)C1=O 72390208 NMIAGCLXQPUIBG-GOSISDBHSA-N 417.303 3.264 0 40 HGAB C[C@H]1CC(=O)N(Cc2ccccc2)c2ccccc2N1C(=O)[C@@H]1CC(=O)N(C2CC2)C1 79025255 ZRNKRUIDIJTTNC-PKOBYXMFSA-N 417.509 3.356 0 40 HGAB C[C@@H](Oc1ccccc1Br)C(=O)N1CC(=O)N(Cc2ccccc2)C1 89420049 NDYPECIGOHEYRX-CQSZACIVSA-N 403.276 3.045 0 40 HGAB Cc1cccc(-c2n[nH]c(=S)n2CC(=O)Nc2cccc(-n3cnnc3C)c2)c1 89678068 MSNAEZVUQYFLLH-UHFFFAOYSA-N 405.487 3.444 0 40 HGAB COC(=O)[C@H]1c2ccccc2CCN1C(=O)c1nc(C)n(-c2ccccc2Cl)n1 95404780 GRFYWANPGLWYNG-GOSISDBHSA-N 410.861 3.142 0 40 HGAB O=C(C[C@@H]1N=C(O)N(CCc2ccccc2)C1=O)Nc1nc2c(s1)CCCCC2 95480959 XNGPQOGLFLKMGZ-INIZCTEOSA-N 412.515 3.108 0 40 HGAB C[C@@H](NC(=O)c1cc2c(F)cccc2[nH]1)c1cc(O)n2nc(C3CCOCC3)cc2n1 100769409 JKPNWQHUUBWULZ-GFCCVEGCSA-N 423.448 3.440 0 40 HGAB CN(Cc1ccccc1)C(=O)[C@H]1CC[C@H](Cn2c(=O)[nH]c3ccccc3c2=O)CC1 101647448 QVPHPJUALHNWMI-KDURUIRLSA-N 405.498 3.155 0 40 HGAB Cc1ccc(C)c(Oc2ccc(CNC(=O)CN3C(=O)[C@H]4CC=CC[C@@H]4C3=O)cn2)c1 102792182 DBBZIHSUIUKREY-OALUTQOASA-N 419.481 3.058 0 40 HGAB O=S(=O)(NC[C@@H]1CCCN1c1ccccc1)c1ccc(Br)s1 207993517 PEAQSCHHLXOZSB-ZDUSSCGKSA-N 401.351 3.458 0 40 HGAB CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(OC)c(OC)c1 222575760 QOXHGMMOLURCAG-OAHLLOKOSA-N 418.921 3.453 0 40 HGAB CC[C@@H](NS(=O)(=O)c1ccc(C)c(C(=O)OC)c1)c1ccc(OC)c(OC)c1 222624382 HCWMPNHBAPTHLD-QGZVFWFLSA-N 407.488 3.228 0 40 HGAB O=c1[nH]c2cc(Cl)c(S(=O)(=O)Nc3ccc(Br)cc3)cc2o1 223325649 SMFCBSWMZMALIH-UHFFFAOYSA-N 403.641 3.338 0 40 HGAB CC[C@@H](NS(=O)(=O)c1c(C)cc(OC)cc1C)c1ccc(S(C)(=O)=O)cc1 223534405 NFRJFEPVQLUEIR-GOSISDBHSA-N 411.545 3.145 0 40 HGAB COc1ccc(F)cc1S(=O)(=O)NCc1nc(-c2ccc(C(C)C)cc2)no1 223622942 QAQLIPSGDGOGRG-UHFFFAOYSA-N 405.451 3.486 0 40 HGAB Cc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)Nc3ccc(C(N)=O)cc3)c2)cc1 224263472 XIKKJYYHVXOSCU-UHFFFAOYSA-N 423.494 3.171 0 40 HGAB CC(C)n1c(=O)sc2cc(NC(=O)c3ccc(N(C)S(C)(=O)=O)cc3)ccc21 225144518 UJFCGXNOOVGMIL-UHFFFAOYSA-N 419.528 3.292 0 40 HGAB Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)n1C 225500826 NEQVUSRWAHSROE-NHCUHLMSSA-N 405.527 3.340 0 40 HGAB COc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc[nH]1 225660028 BCZKCKGNIZNFDN-SFTDATJTSA-N 421.526 3.420 0 40 HGAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)N2c3ccccc3C[C@@H]2C)cc1Cl 226061451 BKJGSFDKIROSSG-AWEZNQCLSA-N 422.934 3.337 0 40 HGAB CSc1cccc(NC(=O)C(=O)NCC2CCN(C3CCSCC3)CC2)c1 244942660 CTTYPGPIDXIYER-UHFFFAOYSA-N 407.605 3.071 0 40 HGAB COc1ccccc1OC(=O)c1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)cc1 250392104 DTSMBWAPYBXECV-NGRIMYGSSA-N 415.445 3.472 0 40 HGAB COc1cccc(Cc2cnc([C@H]3CCCCN3C(=O)c3cc(C)nc(O)n3)o2)c1 257249251 JHMJEVFUEGECDR-LJQANCHMSA-N 408.458 3.445 0 40 HGAB Cc1ncc(-c2ccccn2)c([C@H]2CC[C@H](CNC(=O)Cc3nonc3C)CC2)n1 257319352 VSALOEWKCRWCJD-QAQDUYKDSA-N 406.490 3.171 0 40 HGAB CN1Cc2nnc(-c3ccc(F)cc3)n2C2(CCN(C(=O)c3cccs3)CC2)C1 306131480 KFXLQGLNXNJBAW-UHFFFAOYSA-N 411.506 3.223 0 40 HGAB COc1ccc(-c2ccc3c([C@@H]4CN(Cc5cccs5)CCN4C)nnn3c2)cn1 306144096 YVYWPDWJIDXJHB-FQEVSTJZSA-N 420.542 3.350 0 40 HGAB Cc1ccc(NC(=O)C(=O)Nn2c(CCC(=O)O)ccc2-c2ccccc2)cc1C 408561576 JXNRRRAZVWAJIQ-UHFFFAOYSA-N 405.454 3.498 0 40 HGAB O=C(Cc1cn2cc(Cl)cc(Cl)c2n1)Nc1cccc(CN2CC[C@@H](O)C2)c1 567258752 QMFRHKKRVQDNAQ-QGZVFWFLSA-N 419.312 3.389 0 40 HGAB CCCc1nnsc1C(=O)N1CC[C@H](c2ccccc2Cl)S(=O)(=O)CC1 575415067 YBHKZRAWICKMPJ-OAHLLOKOSA-N 413.952 3.146 0 40 HGAB C[C@H]1C[C@@H](C)CN(C(=O)c2nc3c(o2)CCN(C(=O)c2ccc(N(C)C)cc2)C3)C1 585112130 MJVUNYAVJUZHBI-IYBDPMFKSA-N 410.518 3.057 0 40 HGAB Cn1cc(/C=C/C(=O)N2CCC[C@@H](Cc3cccc(Nc4ccccn4)n3)C2)cn1 585291111 KQACIVCMGAFQAF-ZGKFYVQTSA-N 402.502 3.448 0 40 HGAB CC(C)C(=O)N1CCCCCCCN(C(=O)CC[C@H](N)C(=O)O)Cc2ccccc21 643556933 RLNSINROBJROAH-IBGZPJMESA-N 417.550 3.160 0 40 HGAB Cc1c(-c2nn3c(C4CCN(S(C)(=O)=O)CC4)nnc3s2)oc2ccccc12 1501040209 FQYKDTOIBXQHIY-UHFFFAOYSA-N 417.516 3.046 0 40 HGAB COc1ccc(C(=O)N2CCC(CN(C)c3cc(C(F)(F)F)ccn3)CC2)cn1 1888860501 PGARVXAMLPWQNE-UHFFFAOYSA-N 408.424 3.493 0 40 HGAB CCn1cc(CN2CCC[C@]3(CC2)CN(c2ccc(F)cc2)C(=O)CO3)c(C)n1 2037988802 IWKHYIFHGOUJPL-QFIPXVFZSA-N 400.498 3.139 0 40 HGAB O=C(COc1ccc(I)cc1)c1c(O)c2ccccc2oc1=O 957744 HUYCBMNHQNRBSP-UHFFFAOYSA-N 422.174 3.365 0 40 HGAB C[C@H](NC(=O)OC(C)(C)C)c1nnc(S(=O)(=O)Cc2ccccc2Cl)o1 2435221 LXQZJNZVWKATCJ-JTQLQIEISA-N 401.872 3.283 0 40 HGAB CN(C(=O)COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1)c1ccccc1 3221152 RHLLWBSIPNZJAO-JOCHJYFZSA-N 416.477 3.234 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc(C)cc2Cl)cc1 3564314 PWDZAMBMZGIHCE-UHFFFAOYSA-N 416.952 3.480 0 40 HGAB CCOc1ccc(C(=O)NCCc2cc3ccc(OC)cc3[nH]c2=O)cc1OCC 4032869 QULMTBGPVRRYSB-UHFFFAOYSA-N 410.470 3.307 0 40 HGAB CCOc1cc(C(=O)NCc2n[nH]c(=O)c3ccccc23)cc(OCC)c1OCC 4317465 VSQAEQQZWDRSMB-UHFFFAOYSA-N 411.458 3.049 0 40 HGAB CC(=O)c1c(C)[nH]c(C(=O)COC(=O)C(O)(c2ccccc2)c2ccccc2)c1C 4328907 QKYYHWXTNUXLEQ-UHFFFAOYSA-N 405.450 3.496 0 40 HGAB CN(C)CCN(C(=O)[C@@H]1COc2ccccc2O1)c1nc2c(F)cccc2s1 4478814 WEKQMVJWYQSFMX-INIZCTEOSA-N 401.463 3.170 0 40 HGAB Cc1ccc(-n2c(SCC(=O)N3CCNC3=O)nnc2-c2ccccc2F)cc1 4836000 QSPAYNDMDIQIAN-UHFFFAOYSA-N 411.462 3.026 0 40 HGAB CNC(=O)NC(=O)[C@H](C)Sc1nnc(-c2ccccc2F)n1-c1ccc(C)cc1 4837780 AJYTUUWQNIHODN-ZDUSSCGKSA-N 413.478 3.318 0 40 HGAB COC(=O)c1ccc([C@@H]2C(C(=O)Nc3ccc(C)cc3C)=C(C)Nc3nnnn32)cc1 4879464 YDHQMJAPMRKSAF-LJQANCHMSA-N 418.457 3.004 0 40 HGAB CC[C@H](OC(=O)C[C@@H]1Sc2ccccc2NC1=O)C(=O)NCCc1ccccc1 4967095 ABUCKDJISNOVCX-HKUYNNGSSA-N 412.511 3.170 0 40 HGAB CCOc1ccc2cc([C@@H]3CC(c4cccs4)=NN3S(C)(=O)=O)c(=O)[nH]c2c1 5112143 FCEJBQWLXJMEFN-KRWDZBQOSA-N 417.512 3.099 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(C2=N/C(=C\c3ccc(F)cc3F)C(=O)O2)cc1 6173308 UADNRPYEANHROA-WQRHYEAKSA-N 420.437 3.340 0 40 HGAB Cc1cc(=O)oc2cc(OCC(=O)NCc3ccc4c(c3)OCO4)c(Cl)cc12 6365687 PGNRMKQYUVKXQI-UHFFFAOYSA-N 401.802 3.179 0 40 HGAB CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N(C)Cc2ccc(C)cc2C)C1=O 7823670 JVYBLDFOHJRXQA-QHCPKHFHSA-N 411.477 3.258 0 40 HGAB CSc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccccc3C)CC2)cc1 8479203 HLNRLWCZTXXTLV-UHFFFAOYSA-N 418.584 3.434 0 40 HGAB Nc1c([C@](O)(c2nc3ccccc3s2)C(F)(F)F)cnn1Cc1ccccn1 8726386 OPVLVOSIROTGKA-KRWDZBQOSA-N 405.405 3.317 0 40 HGAB O=C(Nc1ccc(OC(F)(F)F)cc1)[C@H]1CCCN(c2ncnc3[nH]cnc23)C1 9060022 SDQBTNLRGFJQRS-NSHDSACASA-N 406.368 3.107 0 40 HGAB Cc1ccc(NC(=O)CN2CCC(C(=O)NCCc3c[nH]c4ccccc34)CC2)cc1 9069389 XLELILZPUQPPRU-UHFFFAOYSA-N 418.541 3.486 0 40 HGAB COc1ccc(CCC(=O)Nc2ccccc2C(=O)OCC(=O)N2CCCCC2)cc1 9414048 XBFBNOYZCPQMLE-UHFFFAOYSA-N 424.497 3.436 0 40 HGAB Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N1CCN(C(=O)c2cccs2)CC1 9532720 QOUCKSSWSMBEQN-UHFFFAOYSA-N 414.918 3.494 0 40 HGAB Cc1nn(C(=O)COc2ccc(Cl)cc2)c(C)c1S(=O)(=O)N1CCCCC1 9569764 FZONTKNPDIGFGH-UHFFFAOYSA-N 411.911 3.047 0 40 HGAB COc1ccccc1CNC(=O)CCNS(=O)(=O)c1c(C)c(C)c(C)c(C)c1C 9646177 LJGSYXCGXMWBTI-UHFFFAOYSA-N 418.559 3.222 0 40 HGAB O=C(NCc1ccc(Cl)cc1)C(=O)NC[C@H](c1ccco1)N1CCc2ccccc21 9708711 KFOSKERUPKDSRJ-HXUWFJFHSA-N 423.900 3.469 0 40 HGAB COc1ccc(Cc2nnc(SCC(=O)Nc3cc(F)ccc3F)n2C)cc1 10228445 WMECSGZRJHBZRV-UHFFFAOYSA-N 404.442 3.424 0 40 HGAB CC1(C)Oc2ccc(C(=O)c3ccco3)cc2N(CC(=O)NCc2ccccc2)C1=O 12220920 BVXCOBYZLPWMEL-UHFFFAOYSA-N 418.449 3.331 0 40 HGAB O=S(=O)(c1ccc2oc3cc(-n4cnnn4)ccc3c2c1)N1CCc2ccccc21 12360045 MXUBRXZDMICXSO-UHFFFAOYSA-N 417.450 3.313 0 40 HGAB O=C(NCCNS(=O)(=O)c1cc(Cl)ccc1Cl)c1c[nH]c2ccccc12 12389185 WTNIFRDZIWTZPW-UHFFFAOYSA-N 412.298 3.183 0 40 HGAB C[C@H]1CN(C[C@H](O)COc2ccc(Br)cc2Br)C[C@@H](C)O1 12420337 ZNGPEHWUSWLOND-LOWVWBTDSA-N 423.145 3.061 0 40 HGAB COc1ccc(CNS(=O)(=O)CCCOc2cccc3c2OC(C)(C)C3)cc1 12440595 XXMDBMUYIUMAPY-UHFFFAOYSA-N 405.516 3.297 0 40 HGAB CCOc1ccc(CN2CCC(C(=O)N[C@H](C(=O)OC)c3ccccc3)CC2)cc1 12628030 JSQBIPBMDGVFBI-QFIPXVFZSA-N 410.514 3.328 0 40 HGAB COCCCNC(=O)CN(C)c1nc(-c2cccs2)nc2sc3c(c12)CCC3 12795821 LJKQVJUSMHXDJR-UHFFFAOYSA-N 416.572 3.497 0 40 HGAB NC(=O)c1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccc(Cl)cc2)cc1 12808076 RODNKZSOMPELAT-HXUWFJFHSA-N 421.884 3.419 0 40 HGAB CC(=O)Nc1ccc(C(=O)[C@@H](C)Sc2nnc(NC[C@@H]3CCCO3)s2)cc1 12811678 JKYSXWHWHPHFKN-ABAIWWIYSA-N 406.533 3.451 0 40 HGAB CS(=O)(=O)N1CCCc2cc(C(=O)NCc3cccc(C(F)(F)F)c3)ccc21 12923240 JDQBFHAWAPZVFV-UHFFFAOYSA-N 412.433 3.348 0 40 HGAB C[C@H](c1ccc(Cl)cc1)N(C)C(=O)NCCCN1C(=O)NC2(CCCC2)C1=O 12947276 IXBGHZMFRJIPRD-CQSZACIVSA-N 406.914 3.297 0 40 HGAB COC(=O)c1cccc(S(=O)(=O)N2CCC[C@H]2c2ccc(OC)c(OC)c2)c1 13001190 RDBPLUZJIKYPLJ-KRWDZBQOSA-N 405.472 3.016 0 40 HGAB CCCSc1nnc(NC(=O)CSc2nnnn2-c2cc(C)ccc2C)s1 13566152 YCEKEHBCTNUJHG-UHFFFAOYSA-N 421.577 3.364 0 40 HGAB C[C@@H](CO)NC(=O)[C@H](NC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1 13734141 BXCUNTJJGJDHPO-FDDCHVKYSA-N 402.494 3.173 0 40 HGAB CCCCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 14235010 QYBWGUKAERDDEY-AWEZNQCLSA-N 417.369 3.156 0 40 HGAB CC(C)NS(=O)(=O)c1ccc(C(=O)n2cccc/c2=N\C2CCCCC2)cc1 14806727 CDNXRXUOKMZBNJ-LSDHQDQOSA-N 401.532 3.097 0 40 HGAB CN(CC(=O)Nc1ccccc1C(F)(F)F)CC(=O)N1CCc2ccccc2C1 15445932 WVGKDSPWAQQXCL-UHFFFAOYSA-N 405.420 3.161 0 40 HGAB COc1ccc(-c2ccccc2C[C@H]2CN(C(=O)c3cc(C)no3)CCNC2=O)cc1 19119946 HGIXEIDATVIHAD-IBGZPJMESA-N 419.481 3.090 0 40 HGAB COc1cccc([C@@H](NC(=O)Cc2ccc(-n3nnnc3C)cc2)c2ccccc2)c1 19288438 KICYKQZGTSTBPA-DEOSSOPVSA-N 413.481 3.428 0 40 HGAB CCCN1CCN(C(=O)c2nc[nH]n2)C[C@H](Cc2cccc(-c3ccccc3)c2)C1=O 19503021 YUYYDECRHWOVIB-NRFANRHFSA-N 417.513 3.025 0 40 HGAB Cc1cnc(-c2nc(CN(C)CC3CC3)ncc2C(=O)NCc2ccccc2)cn1 19696903 ICHIHZYWHMDOIS-UHFFFAOYSA-N 402.502 3.014 0 40 HGAB COC(=O)c1ccccc1NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(OC)cc1 20761090 VSQDMFDPOYFLNZ-HXUWFJFHSA-N 406.442 3.385 0 40 HGAB biogenic COc1ccc(-c2noc(CN(C)S(=O)(=O)c3cc(Cl)ccc3OC)n2)cc1 22256669 WTAVVZOSLFSGDV-UHFFFAOYSA-N 423.878 3.228 0 40 HGAB COc1ccccc1-n1ncc2c(C)nnc(SCC(=O)Nc3cc(C)on3)c21 23137864 SCWYNILAAKZAFK-UHFFFAOYSA-N 410.459 3.160 0 40 HGAB COc1cc(OC)cc([C@@H](NC(=O)c2ccc(Br)o2)c2nccn2C)c1 29130668 UTKKIBINVICGMQ-MRXNPFEDSA-N 420.263 3.312 0 40 HGAB Cc1cc(N2CCN(C(=O)c3ccc(OC[C@@H]4CCCO4)cc3)CC2)nc(C(C)C)n1 31493629 BCVPXHQSFAEJCM-NRFANRHFSA-N 424.545 3.429 0 40 HGAB O=S1(=O)C[C@@H]2[C@H](C1)N=C(SCCOc1ccccc1)N2c1ccc(Cl)cc1 32640633 MROXPKWLEDHAPG-ZWKOTPCHSA-N 422.959 3.494 0 40 HGAB COc1ccc([C@@H](CNC(=O)COC(=O)c2ccoc2C)N2CCCCC2)cc1 32865233 XTZWZZOQWXKFHX-HXUWFJFHSA-N 400.475 3.097 0 40 HGAB COc1ccc(-c2nn3c(=O)cc(CNC(=O)Nc4ccccc4C)nc3s2)cc1 32996079 JQLVDHLQTLKTRD-UHFFFAOYSA-N 421.482 3.457 0 40 HGAB Cc1cc(C)n(-c2ccccc2CNS(=O)(=O)c2c(C)nn(C(F)F)c2C)n1 36615151 TXIFBMOUMCJVPC-UHFFFAOYSA-N 409.462 3.176 0 40 HGAB CCn1ccc(-c2cc(C(=O)Nc3cccc(C(=O)OC)c3)c3c(C)noc3n2)n1 36617994 BAEIJVHHNMCYPF-UHFFFAOYSA-N 405.414 3.454 0 40 HGAB CCc1nc2ccccc2c(=O)n1CC(=O)NCc1ccccc1Br 40478704 GXEHBZNJJXBGEN-UHFFFAOYSA-N 400.276 3.038 0 40 HGAB CCCOc1ccc2cc(S(=O)(=O)N3CCN(C(=O)OCC)CC3)ccc2c1 41096594 RPMTYJDDIAGPAK-UHFFFAOYSA-N 406.504 3.091 0 40 HGAB Cc1ccc(Cl)cc1NC(=O)Cn1cnc2nc(N3CCCCC3)sc2c1=O 45970145 YJKRRTOLRMCPCD-UHFFFAOYSA-N 417.922 3.444 0 40 HGAB Cc1ccc(NC(=O)Cn2nc3ccc(-c4ccc(Cl)cc4)nn3c2=O)c(C)c1 49009366 GYMDFUQGIQRROQ-UHFFFAOYSA-N 407.861 3.467 0 40 HGAB C[C@H]1CCN(C(=O)CNc2cccc(OCC(=O)N(C)C)c2)c2ccccc2S1 55871708 DWLXXBZPTDIKFQ-INIZCTEOSA-N 413.543 3.483 0 40 HGAB O=C(c1ccc(Cl)c(Cl)c1)C1CCN(C(=O)NC[C@@H]2COCCO2)CC1 57078677 QVHGWGCONFXHJN-CQSZACIVSA-N 401.290 3.013 0 40 HGAB C[C@@H]1CCCCN1C(=O)Cn1c(=O)n(-c2ccc(Cl)cc2)c(=O)c2sccc21 57491797 SMJAXFKXZIHSCZ-CYBMUJFWSA-N 417.918 3.268 0 40 HGAB CCCN(CCC)C(=O)Cn1c(=O)n(-c2cc(C)ccc2C)c(=O)c2sccc21 57492511 FUVZILLIOSQZSC-UHFFFAOYSA-N 413.543 3.479 0 40 HGAB Cc1nc(-c2cccc(NC(=O)[C@@H]3COCC(=O)N3Cc3ccccc3)c2)cs1 70641534 RFSDMJWLMIAMSJ-FQEVSTJZSA-N 407.495 3.485 0 40 HGAB CC[C@H](Cn1c(=O)oc2ccccc21)NC(=O)c1cnn2c(C(F)F)cc(C)nc12 72324385 OYOKZSUWZLDCOZ-GFCCVEGCSA-N 415.400 3.092 0 40 HGAB CC(C)(C)c1cc(C(=O)N2CCC[C@H](n3nc(-c4cccs4)ccc3=O)C2)[nH]n1 72334938 GAPAERYMIRCYCP-AWEZNQCLSA-N 411.531 3.470 0 40 HGAB CCOc1cc(CN2CCC[C@H](c3cc(=O)[nH]c(-c4ccncc4)n3)C2)ccc1O 72392944 ATJBMIPKVIMFNR-SFHVURJKSA-N 406.486 3.316 0 40 HGAB O=C(NC1(c2nc(-c3ccncc3)no2)CCCCC1)[C@@H]1COc2ccccc2O1 77197419 ZKSNSQDEJYYTQC-SFHVURJKSA-N 406.442 3.247 0 40 HGAB CN(C)C(=O)C[C@H]1CC2(CCN(S(=O)(=O)c3ccccc3)CC2)c2ccccc21 96242028 HSTYBTDEGLZVAP-SFHVURJKSA-N 412.555 3.375 0 40 HGAB O=C(CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)NCCC(c1ccccc1)c1ccccc1 103066415 LKFSCDRJXKBJKB-SZPZYZBQSA-N 402.494 3.276 0 40 HGAB Cc1cccc(C)c1NC(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 113965962 KHVAHCZGANPIHX-UHFFFAOYSA-N 418.515 3.260 0 40 HGAB COc1ccc(OC)c(N([C@@H](C)C(=O)NC2CCCCCCC2)S(C)(=O)=O)c1 220218155 XBHZLYLCHLMPRP-HNNXBMFYSA-N 412.552 3.087 0 40 HGAB Cc1ccc(N(C)C(=O)COc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1C 222640765 SIGZINIDBWGIHD-UHFFFAOYSA-N 402.516 3.130 0 40 HGAB CCOc1ccc(N(CC(=O)N[C@@H](C)c2ccc3c(c2)CCC3)S(C)(=O)=O)cc1 223168894 CZWAZLQJIFXUMO-INIZCTEOSA-N 416.543 3.217 0 40 HGAB CCC(=O)N(Cc1ccc(OC)cc1)[C@@H](Cc1ccccc1)C(=O)NCCCOC 223262966 NRTZZBVAVZBDPE-QFIPXVFZSA-N 412.530 3.198 0 40 HGAB OCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(Cl)cn1 223629057 QFZRCJUSJJJKIB-MOPGFXCFSA-N 413.934 3.276 0 40 HGAB COc1ccc(-c2noc(CN(C)S(=O)(=O)c3ccc(OC)c(Cl)c3)n2)cc1 223768536 NSQPWKPKRINODF-UHFFFAOYSA-N 423.878 3.228 0 40 HGAB CSc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H]2CCCc3ccccc32)cc1 224394191 OUAALFTWTFDKMM-LJQANCHMSA-N 404.557 3.223 0 40 HGAB CCOc1ccc(C(=O)NC(C)C)cc1CN(c1ccc(F)cc1)S(C)(=O)=O 224798086 AMYXYBMKMDICBC-UHFFFAOYSA-N 408.495 3.329 0 40 HGAB COc1ccccc1[C@@H](C)NC(=O)c1ccc(C)c(S(=O)(=O)N2CCCC2)c1 225846561 OWVZPUDMQNBTPB-MRXNPFEDSA-N 402.516 3.279 0 40 HGAB CCc1onc(C)c1-c1cccc([C@H]2CN(C(=O)CCN3CCCCC3)CCO2)n1 257263694 LRBGPCZLPYEOKV-OAQYLSRUSA-N 412.534 3.383 0 40 HGAB CCOC(=O)c1c(NC(=O)c2ccccc2NS(C)(=O)=O)sc2c1CCCC2 408548710 SZOOIPKQPPUSBN-UHFFFAOYSA-N 422.528 3.427 0 40 HGAB Cc1cccc(C(=O)N[C@@H](C)c2nnc(SCC(=O)NCc3ccccc3)n2C)c1 409129593 UPFLGOKAVSUODS-INIZCTEOSA-N 423.542 3.023 0 40 HGAB NC(=O)[C@H]1CCCN(Cc2ccccc2NC(=O)c2cc(-c3ccc(F)cc3)[nH]n2)C1 522195650 YAHWKDWZUIRKKQ-KRWDZBQOSA-N 421.476 3.165 0 40 HGAB O=C1[C@H](NC(=O)C2(c3ccccc3)CCOCC2)CCN1c1ccc(F)c(Cl)c1 540763267 HIWVMJYUGRGMNO-LJQANCHMSA-N 416.880 3.449 0 40 HGAB Cc1nc(N2CCC[C@H](COc3ncccc3C(F)(F)F)C2)c2cnn(C)c2n1 1775971650 SAUGIPFPFOCCMX-ZDUSSCGKSA-N 406.412 3.381 0 40 HGAB O=S(=O)(NC[C@H](O)c1ccc(-c2cccs2)cc1)c1ccc2c(c1)OCCO2 1775977656 JIFOWOWTXJPVDP-KRWDZBQOSA-N 417.508 3.198 0 40 HGAB CC(C)CN1CC2(CCN(C(=O)/C=C/c3cccs3)CC2)[C@@]2(CCN(C)C2=O)C1 2055796158 GYWBSSAVEUSKGR-YQTDCCHMSA-N 415.603 3.190 0 40 HGAB Cc1ccc(C(=O)CSc2nc(C)cc(SCC(=O)N3CCOCC3)n2)cc1 900034 KRUHPMWIDOKKKO-UHFFFAOYSA-N 417.556 3.019 0 40 HGAB COc1ccc(CC(=O)N2N=C(c3ccc(OC)cc3)C[C@@]2(O)C(F)(F)F)cc1 910706 NKEHKCMAQZSBAX-LJQANCHMSA-N 408.376 3.134 0 40 HGAB CCOc1ccc(C(=O)CSc2nnnn2-c2ccc(OC)c(OC)c2)cc1 932338 GOIUMUGOHLGART-UHFFFAOYSA-N 400.460 3.053 0 40 HGAB FC(F)(F)COc1nc(N2CCCCC2)nc(N2CCN(c3ccccc3)CC2)n1 969127 MTMAQTSCQBQQNF-UHFFFAOYSA-N 422.455 3.130 0 40 HGAB Cc1cccc(-n2c(SCC(N)=O)nc3sc4c(c3c2=O)CC(C)(C)OC4)c1 1300172 OGZDLFHCXDELGI-UHFFFAOYSA-N 415.540 3.184 0 40 HGAB O=C(Cn1cnc2c(cnn2-c2ccccc2Cl)c1=O)N1CCCc2ccccc21 1330906 IRPPQYLFDSQJNX-UHFFFAOYSA-N 419.872 3.215 0 40 HGAB CCc1cc(=O)oc2c(C)c(O[C@@H](C)C(=O)N[C@@H](Cc3ccccc3)C(=O)O)ccc12 2092429 DYMMQMVMCMFSOO-KXBFYZLASA-N 423.465 3.243 0 40 HGAB biogenic COCCCNC(=O)c1c(N)n(-c2cc(F)ccc2F)c2nc3ccccc3nc12 2248908 UCGSXCSSWYIQII-UHFFFAOYSA-N 411.412 3.200 0 40 HGAB COCCCNC(=O)c1c(N)n(CCc2ccccc2F)c2nc3ccccc3nc12 2381004 LPHZWENJOYVMFJ-UHFFFAOYSA-N 421.476 3.315 0 40 HGAB CC(=O)c1ccc(NC(=O)Cn2cnc3c(cnn3-c3ccc(C)cc3C)c2=O)cc1 4479273 OMAWPZGHCDPHKB-UHFFFAOYSA-N 415.453 3.040 0 40 HGAB CC(=O)Nc1ccc(NC(=O)CSc2nnnn2-c2ccc(C(C)C)cc2)cc1 5015498 HNIJLPIFMHFYKK-UHFFFAOYSA-N 410.503 3.475 0 40 HGAB CCOc1ccc(-n2nnnc2S[C@H](C)C(=O)Nc2cccc(C(C)=O)c2)cc1 5034096 YVMPVORTNOEOCD-CQSZACIVSA-N 411.487 3.383 0 40 HGAB CCOc1ccccc1CCC(=O)OCC(=O)N1c2ccccc2NC(=O)C1(C)C 5151698 JHNJDQRFCUZQTN-UHFFFAOYSA-N 410.470 3.325 0 40 HGAB COc1ccc(CCN[C@H](CC(=O)Nc2ccc3ccccc3c2)C(=O)O)cc1OC 5258879 NZKDNSGGCSYPEG-HXUWFJFHSA-N 422.481 3.471 0 40 HGAB C[C@@H]1CCCN(S(=O)(=O)c2cccc(C(=O)OCC(=O)c3ccc(F)cc3)c2)C1 5261935 JCENWFZLTQXIJD-OAHLLOKOSA-N 419.474 3.286 0 40 HGAB CCn1c(Cc2ccccc2)nnc1SCC(=O)N1CCN(c2ccccc2)CC1 5356280 FCKKAKOVSUXWDI-UHFFFAOYSA-N 421.570 3.330 0 40 HGAB COc1ccc(NS(=O)(=O)c2ccc3oc(S[C@H]4CCOC4=O)nc3c2)cc1 6132640 NOWOOBYETVYTST-INIZCTEOSA-N 420.468 3.045 0 40 HGAB CS(=O)(=O)N(CCc1ccccc1)CC(=O)NCc1ccc(Cl)cc1Cl 6584619 RMOYVWHZTYEBBG-UHFFFAOYSA-N 415.342 3.114 0 40 HGAB C[C@H]1CCCN(S(=O)(=O)c2csc(C(=O)Nc3cccc(C(=O)O)c3)c2)C1 6680928 MLPXNRYDASVEIA-LBPRGKRZSA-N 408.501 3.119 0 40 HGAB NC(=O)[C@@H]1CN(C(=S)NCCSc2ccc(Cl)cc2)c2ccccc2O1 7368822 HWVDPYHEALXFPE-INIZCTEOSA-N 407.948 3.060 0 40 HGAB COc1cc(OC)cc(-c2nnc(SCC(=O)Nc3cccc(C(C)=O)c3)[nH]2)c1 7604642 XINGRNDFGVNBLO-UHFFFAOYSA-N 412.471 3.422 0 40 HGAB Cc1cc(C)cc(NC(=O)COC(=O)CCS(=O)(=O)c2ccc(C)c(C)c2)c1 7940044 HMLUCQSXUHHTQE-UHFFFAOYSA-N 403.500 3.266 0 40 HGAB CC[C@@H](C)N(C(=O)COc1ccc(Cl)c2cccnc12)[C@@H]1CCS(=O)(=O)C1 8195909 SDDIIPMSSCHGTB-ZIAGYGMSSA-N 410.923 3.081 0 40 HGAB O=S(=O)(c1cccc(CN2CCC(Cc3ccccc3)CC2)c1)N1CCOCC1 8307097 MIRHBNUXABJJAE-UHFFFAOYSA-N 414.571 3.162 0 40 HGAB CC(=O)c1ccc(NC(=O)CCCC(=O)OCC(=O)Nc2ccc(F)cc2)cc1 8412677 UTXOKUWMKHAHFH-UHFFFAOYSA-N 400.406 3.319 0 40 HGAB Cc1cc(=O)[nH]c2nnc(SCC(=O)Nc3cc(C(F)(F)F)ccc3Cl)n12 8601533 IPWIKPOVUWPSLU-UHFFFAOYSA-N 417.800 3.129 0 40 HGAB CCOC(=O)c1sc2nc3c(cc2c1NC(=O)CN1CCCC1)COC(C)(C)C3 9341337 WYFNPWBQECRCEL-UHFFFAOYSA-N 417.531 3.359 0 40 HGAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1sc2nc(C)ccc2c1N 9970838 JYQBSMTVCVGOFT-UHFFFAOYSA-N 401.444 3.243 0 40 HGAB CCn1c(=O)c(=O)[nH]c2cc(C(=O)Nc3cccc(-c4csc(C)n4)c3)ccc21 10220037 XLFMUYWTYCJOCB-UHFFFAOYSA-N 406.467 3.394 0 40 HGAB COc1cc(OC)cc([C@H](NS(=O)(=O)c2ccc(C)cc2C)c2nccn2C)c1 10747813 TZCQEIFLMJUBPN-FQEVSTJZSA-N 415.515 3.122 0 40 HGAB O=C(CN(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1)Nc1cccc(Cl)c1Cl 10833957 WPVRMPSQVYGZAI-GFCCVEGCSA-N 417.314 3.214 0 40 HGAB O=C(OCC(=O)N1CCN(c2ccc(F)cc2)CC1)c1ccccc1Br 11026490 QHBVVLSDTSYGOW-UHFFFAOYSA-N 421.266 3.094 0 40 HGAB O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)NN1C(=O)NC2(CCCCC2)C1=O 11405027 MVKAABZZIDHQDI-UHFFFAOYSA-N 416.865 3.214 0 40 HGAB O=C(NCCc1nnc2ccccn12)c1cn(Cc2ccccc2)nc1-c1cccnc1 11545839 ZPFHZRNJOPENSV-UHFFFAOYSA-N 423.480 3.009 0 40 HGAB O=S1(=O)N[C@@H](C2CCN(Cc3cccc4cccnc34)CC2)Nc2ccccc21 12089472 PODNQHWEGPUCFY-QFIPXVFZSA-N 408.527 3.177 0 40 HGAB CN(C)CCNc1nc(-c2cccnc2)nc2c1CCN(Cc1ccc(F)cc1)C2 12123280 ACSMVZBFEZKWLE-UHFFFAOYSA-N 406.509 3.210 0 40 HGAB c1csc(-c2nc(N3CCCCC3)ncc2-c2ccnc(N3CCOCC3)n2)c1 12253231 NFEXTPCFEXMVIA-UHFFFAOYSA-N 408.531 3.489 0 40 HGAB CCCCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)NCc1ccccc1F 12743680 PCZUSUXQTKPFKD-QHCPKHFHSA-N 409.461 3.221 0 40 HGAB Cc1cccc(OC[C@@H](O)CN2CCCN(c3ccc(C(F)(F)F)cn3)CC2)c1 12905282 DLIONJIXNAEDCJ-SFHVURJKSA-N 409.452 3.361 0 40 HGAB CC[C@H](C)[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NCCC1=CCCCC1 12928631 BCCQYVXITQQDQM-KXBFYZLASA-N 403.548 3.147 0 40 HGAB COc1cc2c(cc1OC)CN(C(=O)c1cccc(NC(=O)[C@@H]3CCCO3)c1)CC2 12977582 BBFIPIWVKKXNOK-IBGZPJMESA-N 410.470 3.020 0 40 HGAB O=C(NCC1CCCCC1)c1ccc(CN2C(=O)c3ccccc3S2(=O)=O)cc1 13012095 HJOACSAHQYVMAE-UHFFFAOYSA-N 412.511 3.341 0 40 HGAB COc1cc(/C=C/C(=O)O)cc(S(=O)(=O)Nc2cccc3cccnc23)c1OC 13030412 OWLYHFHCKDZRFF-CMDGGOBGSA-N 414.439 3.151 0 40 HGAB CC[C@@H](C(=O)NCCSc1ccccc1)N(c1ccc(C)cc1)S(C)(=O)=O 13713226 GGKQRMUHONUVNV-IBGZPJMESA-N 406.573 3.448 0 40 HGAB COc1ccccc1[C@H]1N=C(NCc2ccc(Cl)cc2)Nc2nc(C)cc(=O)n21 14607531 BXYYXJHPMNVIAG-IBGZPJMESA-N 409.877 3.332 0 40 HGAB O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)NCCOc1ccc2ccccc2c1 15517307 IDFIBLKLCXOTRY-ZJOUEHCJSA-N 413.543 3.061 0 40 HGAB C[C@H]1C[C@@H](C)CN(C(=O)c2ccccc2C(=O)OCC(=O)NCc2cccs2)C1 16044831 KXERRLGOKPWFTC-IYBDPMFKSA-N 414.527 3.339 0 40 HGAB CN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)/C=C/c1cc(F)cc2c1OCOC2 16201216 YQCCFTGBDPGUPZ-GORDUTHDSA-N 424.350 3.220 0 40 HGAB CN1CCCN(C(=O)CCNC(=O)c2ccccc2Cl)c2nc3ccccc3nc21 17364338 JJMGVUWMPGFQFC-UHFFFAOYSA-N 423.904 3.276 0 40 HGAB COc1cc(CN(CCCN2CCOCC2)Cc2ccc(C)o2)cc2c1OCO2 19216429 FZVPYOQGSFNYRY-UHFFFAOYSA-N 402.491 3.050 0 40 HGAB COCCNC(=S)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 19312265 SXENJJZXDWJVSB-UHFFFAOYSA-N 405.514 3.193 0 40 HGAB CNc1cc(CN(C)C(C)=O)nc([C@H]2CCCCN2C(=O)CCc2ccccc2)n1 19709832 JQQVOLDSMMOSPP-HXUWFJFHSA-N 409.534 3.183 0 40 HGAB COCCC(=O)N1CCC(c2ccc3c(NCc4ccccc4F)n[nH]c3n2)CC1 19745141 FFFNANQLSMWSNI-UHFFFAOYSA-N 411.481 3.452 0 40 HGAB COc1ccc(CN(C)C(=O)CC2CCN(c3nc(C)cc(C)n3)CC2)cc1OC 19748890 ZEJOIFPLNJILCQ-UHFFFAOYSA-N 412.534 3.376 0 40 HGAB COC(=O)c1c(C)nc2ccn(-c3nnc(C)[nH]3)c(=O)c2c1-c1ccc(Cl)cc1 19819222 PCSWAEIHIVGEFR-UHFFFAOYSA-N 409.833 3.228 0 40 HGAB CCOc1ccc([C@H](C)NS(=O)(=O)c2ccc(OC)c(C(=O)NC(C)C)c2)cc1 20038288 XYMNFDHXZWFZBY-HNNXBMFYSA-N 420.531 3.272 0 40 HGAB COc1ccccc1CNC(=O)c1cn(CCF)c2c(F)c(OC)c(F)cc2c1=O 20736268 PBUWZFNXISFLAC-UHFFFAOYSA-N 420.387 3.196 0 40 HGAB CN(c1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1)S(C)(=O)=O 22230563 GDIYOJRUVUACFU-UHFFFAOYSA-N 403.287 3.407 0 40 HGAB CN(CCNC(=O)CN(c1ccc(C(C)(C)C)cc1)S(C)(=O)=O)c1ccccc1 22374167 ZFGSSFOMFRMQGN-UHFFFAOYSA-N 417.575 3.003 0 40 HGAB O=C(Nc1ccccc1)C1CCN(CCCCN2C(=O)c3ccccc3C2=O)CC1 23039733 VDQJGEGFAFFQAO-UHFFFAOYSA-N 405.498 3.414 0 40 HGAB Cc1cc(C(=O)CSc2nnc(C3CC3)n2CC(N)=O)c(C)n1Cc1ccccc1 23351651 RQQXFCORNAQYKQ-UHFFFAOYSA-N 423.542 3.082 0 40 HGAB CCOc1cccc(COC(=O)CN2C(=O)c3ccccc3C2=O)c1OC(F)F 24832157 XOBWKYQSTMHJOK-UHFFFAOYSA-N 405.353 3.026 0 40 HGAB COCCn1c(SCC(=O)N(C)C2=CCCC2)nc2sc3c(c2c1=O)CCC3 24981261 CMORSXGYWUHREE-UHFFFAOYSA-N 419.572 3.211 0 40 HGAB O=S(=O)(c1ccccc1F)N1CCN(Cc2csc(-c3ccccc3)n2)CC1 25540887 ACIWXQWPHXRWPN-UHFFFAOYSA-N 417.531 3.456 0 40 HGAB Nn1c(SCC(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)nnc1C1CC1 26016334 DEKDDACNCJJRQW-UHFFFAOYSA-N 408.459 3.002 0 40 HGAB O=C1C[C@H](C(=O)N(Cc2cccnc2)C2CC2)CN1c1ccccc1Br 31899975 WXKOUIUWDGIJJN-HNNXBMFYSA-N 414.303 3.388 0 40 HGAB CC(=O)Nc1cccc(CNC(=O)C[C@@H]2Sc3ccc(Cl)cc3NC2=O)c1 32360229 ZDSPVOQPXSIADP-KRWDZBQOSA-N 403.891 3.418 0 40 HGAB COc1ccccc1[C@@H](CNC(=O)c1nc(C)n(-c2ccc(F)cc2)n1)N1CCCC1 32841476 QRQORQZISYHJOW-HXUWFJFHSA-N 423.492 3.290 0 40 HGAB CN(C)[C@H](CNC(=O)c1c[nH]nc1-c1ccc2c(c1)OCCO2)c1cccc(F)c1 32905792 QMSKBUFPPKUFPX-GOSISDBHSA-N 410.449 3.020 0 40 HGAB O=C(Nc1ccc2c(c1)OCO2)c1ccc(Oc2nccnc2N2CCOCC2)cc1 33296755 PJBWNEUXQZHOOY-UHFFFAOYSA-N 420.425 3.087 0 40 HGAB CC(=O)N1CCCc2cc([C@H](O)CN3CCN(c4ccc(F)cc4F)CC3)ccc21 36741207 PCRFBYGWXUSPKQ-HSZRJFAPSA-N 415.484 3.120 0 40 HGAB COC(=O)COc1cccc(NC(=O)c2nn(-c3ccc(F)cc3)c3c2CCC3)c1 40082746 ATMXZQJKOMGFFV-UHFFFAOYSA-N 409.417 3.304 0 40 HGAB CN1CCN(Cc2ccc(NC(=O)Cc3ccc(Br)cc3)cc2)CC1 40089756 KTMVVKNBBTWUMW-UHFFFAOYSA-N 402.336 3.378 0 40 HGAB O=C(Cc1ccc(NC(=O)c2ccc(Br)o2)cc1)Nc1nncs1 40145328 QMLVKTFHCYJGFZ-UHFFFAOYSA-N 407.249 3.327 0 40 HGAB O=C(CCC(=O)N1CCC(c2noc3ccc(F)cc23)CC1)N1CCSCC1 40283473 IVBGJLGEAUIVEJ-UHFFFAOYSA-N 405.495 3.029 0 40 HGAB COc1ccc([C@H](C)NC(=O)c2cc(NS(C)(=O)=O)ccc2Cl)cc1OC 44884661 KDGHCLWEZBLJCM-NSHDSACASA-N 412.895 3.220 0 40 HGAB O=C(CCCNC(=O)c1cccs1)NCc1ccc(N2CCCCCC2)nc1 48235040 DSLMWFOUNZQQPY-UHFFFAOYSA-N 400.548 3.350 0 40 HGAB COc1cccc(-c2noc(CN3Cc4ccccc4C[C@@H]3C(=O)N3CCCC3)n2)c1 48280253 IHAYLGMMVJPARX-OAQYLSRUSA-N 418.497 3.295 0 40 HGAB CC[C@]1(c2ccc(NC(=O)/C=C/c3ccc4c(c3)OCO4)cc2)CCC(=O)NC1=O 56165342 BBKAHHOAAVWBGS-YTARHJBPSA-N 406.438 3.152 0 40 HGAB C[C@@H]1CCCN(C(=O)COC(=O)c2cccc(-n3cc(Br)cn3)c2)C1 58003747 UMOGZWIAWGBVQW-CYBMUJFWSA-N 406.280 3.050 0 40 HGAB CCOC(=O)[C@@H](CNC(=O)[C@@H](NC(=O)c1cccc(C)c1)C(C)C)Cc1ccccc1 58051867 HHHXTARFOSGQGB-YADHBBJMSA-N 424.541 3.288 0 40 HGAB CN(C)[C@@H](CNC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl)C1CCCCC1 58173739 CSAVRDPWNPSSFJ-KRWDZBQOSA-N 401.960 3.376 0 40 HGAB O=C(Nc1nnc([C@H]2CC(=O)N(c3ccccc3)C2)o1)c1nc2ccccc2s1 62022969 PMICSCIQXUFWSH-LBPRGKRZSA-N 405.439 3.452 0 40 HGAB Cc1nc(COc2cccc(C(=O)N3CCN(C4=NC[C@@H](C)S4)CC3)c2)cs1 72298014 JOHQWNCXNCKFDZ-CQSZACIVSA-N 416.572 3.280 0 40 HGAB CN1c2ncccc2C(=O)N[C@@H]1c1ccccc1NC(=O)c1cc(C(C)(C)C)nn1C 72347381 WFAXQPNTHFOOTE-FQEVSTJZSA-N 418.501 3.243 0 40 HGAB COc1ccc(CN(C)C(=O)c2nc(NC(C)=O)ccc2Br)cc1F 79045861 HDSVSDMSTQGPLR-UHFFFAOYSA-N 410.243 3.222 0 40 HGAB Cc1cc(O)cc(=O)n1[C@H](C)C(=O)N[C@H](c1ccccc1)c1nc2ccccc2n1C 79056540 YJAOABVOGUSBBE-OPAMFIHVSA-N 416.481 3.216 0 40 HGAB CC(C)c1c(C(=O)N2CCN([C@H]3CCOC3)CC2)cnn1-c1cccc(Cl)c1 79103387 CMZLKLWBPYKJAZ-SFHVURJKSA-N 402.926 3.196 0 40 HGAB O=C(c1cccc(=O)n1CCOc1ccccc1Cl)N1CCO[C@@H]2CCCC[C@H]21 89814514 ZHAURTIEAFQFMT-YLJYHZDGSA-N 416.905 3.364 0 40 HGAB O=C(CCc1ccsc1)NC[C@@H]1CSCCN1C(=O)CCc1ccsc1 95458450 STGVHJASDMIHRC-QGZVFWFLSA-N 408.614 3.435 0 40 HGAB CCOC(=O)C(=O)Nc1sc2c(c1C(=O)OCC)-c1cc(OC)c(OC)cc1C2 95480730 SHENZYYBAPATPP-UHFFFAOYSA-N 419.455 3.015 0 40 HGAB COc1ccc(Br)c(C(=O)NCCn2ccc(-c3ccccn3)n2)c1 96098907 OUBDCNUXTRSBBC-UHFFFAOYSA-N 401.264 3.146 0 40 HGAB COc1cc2c(cc1OC)CC(=O)N(CC(=O)Nc1ccc3c(ccn3C)c1)C=C2 96116057 RZVWMKMCLLCJRJ-UHFFFAOYSA-N 405.454 3.190 0 40 HGAB biogenic Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1/C=C1/C(=O)Nc2cc(Cl)ccc21 96766576 VRTTXABGLZHQFF-NGPAHMQLSA-N 412.298 3.351 0 40 HGAB O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O)Nc1cc(C(F)(F)F)ccc1Cl 101014967 KPVZEGGTGDZPLT-LJITYGPFSA-N 424.806 3.350 0 40 HGAB O=C(CCCCCN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O)OCC(=O)c1ccccc1 102076327 QXLNTHOSHAVDCY-WYIZHRONSA-N 421.493 3.026 0 40 HGAB COc1ccc(NC(=O)C2CCC(N3C(=O)[C@H]4[C@@H]5C=C[C@H]([C@H]6C[C@H]56)[C@H]4C3=O)CC2)cc1 102080531 WGQUNETUWVJFID-SZRUVAEZSA-N 420.509 3.246 0 40 HGAB CCN(CC)CCC[C@@H](C)NS(=O)(=O)c1ccc(I)cc1 107371324 OOHMGFVESXSZOQ-CYBMUJFWSA-N 424.348 3.080 0 40 HGAB CS(=O)(=O)N(CC(=O)NCCC1=CCCCC1)c1ccccc1Br 109097055 PLWSGNROPQJYAS-UHFFFAOYSA-N 415.353 3.222 0 40 HGAB CCOc1ccccc1N(CC(=O)O)S(=O)(=O)c1ccc(Br)cc1 113887303 ONDRBCHWCTZKJM-UHFFFAOYSA-N 414.277 3.128 0 40 HGAB CC[C@H](C)NC(=O)COc1c(Br)cc(C(=O)O)cc1Br 217735322 OBCDCKSXAPSDHE-ZETCQYMHSA-N 409.074 3.203 0 40 HGAB Cc1ccc(N([C@@H](C)C(=O)Nc2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1Cl 220361770 FMRGAWQOSIVZHH-ZDUSSCGKSA-N 424.906 3.213 0 40 HGAB CNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)COc1ccc(Br)cc1 222905375 HYCRADMJZDLCFG-OAHLLOKOSA-N 419.319 3.034 0 40 HGAB Cc1ccc(OCCNC(=O)CN(c2ccc(Cl)cc2C)S(C)(=O)=O)cc1C 223677443 DQPCDFWZACFYDU-UHFFFAOYSA-N 424.950 3.226 0 40 HGAB CCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)COc1ccccc1Cl 224037723 SXHSMIXURQXHSF-OAHLLOKOSA-N 404.894 3.281 0 40 HGAB COC(=O)c1ccc(NC(=O)Cn2ccc(=O)c3cc(Br)ccc32)cc1 225729408 JGTXMTOSFPHLEF-UHFFFAOYSA-N 415.243 3.189 0 40 HGAB Cc1cc(C)n(CC(=O)N2CCCC[C@@H]2c2ncc(Cc3cccc(F)c3)o2)c(=O)n1 257326943 WZEZOQCCMNLJSD-HXUWFJFHSA-N 424.476 3.332 0 40 HGAB Cc1cc(C)cc(OCCNC(=O)[C@@H](C)N(c2cc(C)ccc2C)S(C)(=O)=O)c1 260892190 WSQBXWPUUFCILP-LJQANCHMSA-N 418.559 3.270 0 40 HGAB COc1ccc(-c2ccc3c([C@H]4CN(Cc5ccsc5)CCN4C)nnn3c2)cn1 306123049 ADJILMIZCRWXNB-HXUWFJFHSA-N 420.542 3.350 0 40 HGAB Cc1cc(C)cc(CN2C[C@H]3Cc4nnc(C(=O)Nc5ccccc5)n4C[C@@H]3C2)c1 306128935 HORGDPWUYAHXHE-UXHICEINSA-N 401.514 3.452 0 40 HGAB COc1ccc(C)cc1S(=O)(=O)N[C@H](C)C(=O)Nc1ccc(C(F)(F)F)cc1 408556483 DARHXNVWMOVKHJ-GFCCVEGCSA-N 416.421 3.328 0 40 HGAB Cc1ccc(N(CC(=O)NC23CC4CC(CC(C4)C2)C3)S(C)(=O)=O)cc1Cl 408616504 GXIOBPXPJUOFNJ-UHFFFAOYSA-N 410.967 3.499 0 40 HGAB COC(=O)CN1C(=O)/C(=C/c2cn(Cc3cccc(F)c3)c3ccccc23)NC1=S 409208735 BTROUVCPXGXYIS-ZDLGFXPLSA-N 423.469 3.059 0 40 HGAB CN1c2cc(F)c(NC(=O)c3csc(-c4ccccc4)n3)cc2N(C)S1(=O)=O 575613855 WPXWDEXOBJURPA-UHFFFAOYSA-N 418.475 3.332 0 40 HGAB Cc1cccc(C(=O)N2CCO[C@]3(CCCCc4ccccc4OCCNC3=O)C2)c1 643556373 LJQIDMASTRUDBL-RUZDIDTESA-N 422.525 3.128 0 40 HGAB O=C(C[C@H]1COc2ccccc2O1)N1CCC(COc2cc3c(nn2)CCCC3)CC1 1565523452 NMKRWEIECFVCJA-IBGZPJMESA-N 423.513 3.203 0 40 HGAB Cc1ccc(OC[C@]2(O)COCCN(C[C@]3(O)CC[C@@H](C(C)(C)C)CC3)C2)cc1 2037956982 HZVGBAHZHHWGBE-FGCOXFRFSA-N 405.579 3.405 0 40 HGAB C[C@H]1CN(C(=O)CN2CCC(c3ccc4cc(Cl)cnc4n3)CC2)C[C@H](C)O1 2086894002 FPQRFLOENSBTHT-GJZGRUSLSA-N 402.926 3.098 0 40 HGAB CCNC(=S)N(Cc1ccc2c(c1)OCO2)Cc1cc2ccc(C)cc2[nH]c1=O 875081 BYSAEIQJYLFXOJ-UHFFFAOYSA-N 409.511 3.462 0 40 HGAB Cc1ccccc1Cn1c(NCc2ccccc2Cl)nc2c1c(=O)[nH]c(=O)n2C 1315428 QMXDCPKXIVHILM-UHFFFAOYSA-N 409.877 3.046 0 40 HGAB CN(C)c1ccc2c3c(ccc(N(C)C)c13)[C@](O)(C(F)(F)F)O[C@@]2(O)C(F)(F)F 1410042 SXCCOVAVNCTXKR-HZPDHXFCSA-N 424.341 3.417 0 40 HGAB C[C@@H](OC(=O)CN1C(=O)c2ccccc2C1=O)C(=O)Nc1cc(Cl)ccc1Cl 1931458 VMEINMGRVVNFJE-SNVBAGLBSA-N 421.236 3.160 0 40 HGAB CC(C)c1ccc(O[C@@H](C)C(=O)N(Cc2ccco2)[C@@H]2CCS(=O)(=O)C2)cc1 2406080 PTQHKOKHKHKSHH-FUHWJXTLSA-N 405.516 3.386 0 40 HGAB Cn1c(Cn2cnc(Cl)c2Cl)c(Br)c(=O)n1-c1ccccc1 2539547 RHVGTIARPLYYMU-UHFFFAOYSA-N 402.079 3.490 0 40 HGAB CCCCn1c(SCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)nc2ccccc2c1=O 2628211 SMSRXTIMXMZHNE-UHFFFAOYSA-N 423.498 3.097 0 40 HGAB COc1ccc(CCNC(=O)[C@H]2CC(=O)N(c3ccc(F)c(Cl)c3)C2)cc1OC 2954394 VOQHCDNZQBHSSO-AWEZNQCLSA-N 420.868 3.208 0 40 HGAB Nc1nc(SCC(=O)Nc2nc(-c3cccc(Br)c3)cs2)n[nH]1 3304312 HBKLUCADCOMGPI-UHFFFAOYSA-N 411.310 3.004 0 40 HGAB COc1cc(NC(=O)COC(=O)c2cc(C)nc3ccccc23)cc(OC)c1OC 3366630 LVOGLAVCBUXKBD-UHFFFAOYSA-N 410.426 3.365 0 40 HGAB Cn1c(SCC(=O)N2CCc3ccccc32)nnc1[C@@H]1COc2ccccc2O1 3447582 TWWLIMCDPZVJNM-SFHVURJKSA-N 408.483 3.009 0 40 HGAB COc1cc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nncs2)ccc1O 3655691 GGFNXSNLBFVGLC-INIZCTEOSA-N 407.407 3.109 0 40 HGAB C[C@H]1CN(C[C@@H](Cc2ccccc2)C(=O)NCC(=O)O)CC[C@@]1(C)c1cccc(O)c1 3782341 UPNUIXSCZBYVBB-DMJCMNNJSA-N 424.541 3.051 0 40 HGAB Cc1c(Cl)cccc1NC(=O)COC(=O)c1cccc(N2C(=O)CCC2=O)c1 4352332 BPDNEASDVQRDRF-UHFFFAOYSA-N 400.818 3.097 0 40 HGAB C[C@@H](OC(=O)c1n[nH]c(=O)c2ccccc12)C(=O)Nc1ccc(C(F)(F)F)cc1 5183873 ZRPLBXYODFSKLA-SNVBAGLBSA-N 405.332 3.126 0 40 HGAB COc1ccc(-c2cc3ncn(CC(=O)NCc4ccccc4)c(=O)c3s2)cc1 5325839 USOIABABRZMIQB-UHFFFAOYSA-N 405.479 3.450 0 40 HGAB O=C(CC12CC3CC(CC(C3)C1)C2)N1CCN(S(=O)(=O)c2cccs2)CC1 5613113 SSLMRAZVUZWKSY-UHFFFAOYSA-N 408.589 3.188 0 40 HGAB COc1ccccc1NC(=O)Cn1c(=O)n(C2CCCCC2)c(=O)c2ccccc21 6764294 WLZZFZBPXRYIPM-UHFFFAOYSA-N 407.470 3.316 0 40 HGAB COc1ccc2nc(S[C@@H](C)C(=O)Nc3sc4c(c3C(N)=O)CCC4)[nH]c2c1 7096715 XCHYZMUBNAHFGN-VIFPVBQESA-N 416.528 3.340 0 40 HGAB CN(Cc1cccc(Cl)c1)C(=O)COC(=O)C[C@@H]1Sc2ccccc2NC1=O 7292728 KHXAPYUMAYAATQ-KRWDZBQOSA-N 418.902 3.345 0 40 HGAB COc1ccc(Cl)cc1/C=C1\C(=O)NC(=S)N(c2ccccc2OC)C1=O 8169218 VIKPXWHDNWGBGI-JLHYYAGUSA-N 402.859 3.189 0 40 HGAB NC(=O)COc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc3c(c2)OCO3)cc1 8194688 QWHMWSJWYHYOGK-QFIPXVFZSA-N 417.421 3.051 0 40 HGAB Cc1nc(NC(=O)c2nn(-c3ccccc3)ccc2=O)sc1C(=O)OCC(C)C 8768110 GBIVRRDVOWFGOA-UHFFFAOYSA-N 412.471 3.063 0 40 HGAB Cc1ccc(NC(=O)CSc2nnc(-c3cc(-c4ccccc4)n[nH]3)n2N)cc1C 9015292 IOKHWMCLHSGVGE-UHFFFAOYSA-N 419.514 3.397 0 40 HGAB CCN(CC)C(=O)C(=O)c1cn(CC(=O)Nc2ccc(OC)cc2)c2ccccc12 9192598 DARNFVIPJZLHQD-UHFFFAOYSA-N 407.470 3.340 0 40 HGAB Cc1ccccc1OCc1nnc(SCC(=O)Nc2ccc(CC(=O)O)cc2)o1 9198660 LECZYEQSWZUJRJ-UHFFFAOYSA-N 413.455 3.315 0 40 HGAB CC(=O)Nc1ccc(-c2nc(N)sc2[C@@]2(O)C(=O)N(C(C)C)c3ccccc32)cc1 9349232 WIBSLSGWLWSFSU-JOCHJYFZSA-N 422.510 3.342 0 40 HGAB CC[C@@H]1c2ccsc2CCN1CC(=O)N(C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 9376612 WKQKKJYYEOTIDK-IEBWSBKVSA-N 424.632 3.406 0 40 HGAB O=C(NCc1ccc(Cl)cc1)C(=O)NC[C@@H](c1ccco1)N1CCc2ccccc21 9708126 KFOSKERUPKDSRJ-FQEVSTJZSA-N 423.900 3.469 0 40 HGAB Cc1c(C(=O)NCc2ccccc2OC(F)F)sc2nc3n(c(=O)c12)CCC3 10114948 QHAXYUOBFNQCEP-UHFFFAOYSA-N 405.426 3.244 0 40 HGAB O=C(CN1CCCCCC1=O)OCc1cc(=O)oc2cc(Br)ccc12 11385317 MDDQUSHPDQQYKE-UHFFFAOYSA-N 408.248 3.001 0 40 HGAB Cc1nc(COc2ccc(C(=O)O[C@H](C)C(=O)N3CCc4ccccc4C3)cc2)no1 12072887 PQPURBWQBHUABQ-OAHLLOKOSA-N 421.453 3.087 0 40 HGAB Cc1cc2c(cc3c(=O)n(CC(=O)NCCc4ccccc4Cl)nc(C)n32)s1 12115374 RDEXVWARRQFITC-UHFFFAOYSA-N 414.918 3.340 0 40 HGAB O=S(=O)(NC1CC1)c1ccc(NS(=O)(=O)c2cccc(Cl)c2Cl)cc1 12630711 KRNILZANWZRPDX-UHFFFAOYSA-N 421.327 3.235 0 40 HGAB Cc1cc(C)cc(OCCN(C)C(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c1 12767465 OSKWBRHTUQDUPI-UHFFFAOYSA-N 416.543 3.239 0 40 HGAB C[C@H](C(=O)Nc1ccc(F)cc1F)N1CCC(C(=O)NCc2ccccc2)CC1 12808142 HTVSYHPHWMXBAI-OAHLLOKOSA-N 401.457 3.320 0 40 HGAB CCOc1ccc(/C=C/C(=O)N(CC)CC(=O)NCc2cccs2)cc1OC 12880772 GKQUDCWRZPNHFY-PKNBQFBNSA-N 402.516 3.334 0 40 HGAB O=C(O)c1cccc(S(=O)(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2)c1 13344621 IQKGJMXSPFTSDV-UHFFFAOYSA-N 412.471 3.171 0 40 HGAB CN(c1ccc(OCC(=O)N2CCCCCC2)cc1)S(=O)(=O)c1ccccc1 13584795 KSPCRYSSRXPDJJ-UHFFFAOYSA-N 402.516 3.293 0 40 HGAB CCOc1ccc(NC(=O)c2cccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)c2)cc1 14074879 QCKJKKAEWUQUQC-IYBDPMFKSA-N 418.515 3.136 0 40 HGAB CCCn1nc(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)c2ccccc2c1=O 14248904 HVVWZHAMXBQYJB-NRFANRHFSA-N 404.514 3.373 0 40 HGAB C[C@@H]1Oc2ccccc2C=C1/C=C(/NC(=O)c1ccccc1)C(=O)N1CCOCC1 16676638 LBBFHKLXBQXQFJ-QFGIDJEJSA-N 404.466 3.024 0 40 HGAB Cc1cc(C)c(-c2nn(-c3ccccc3)cc2/C=c2\sc3ncnn3c2=O)c(C)c1 16741756 PZXZFNWHSHPKQL-ODLFYWEKSA-N 413.506 3.477 0 40 HGAB Cc1nnc2sc(-c3ccccc3NC(=S)NC(=O)c3ccc(F)cc3)nn12 17089167 XYTSNGUSQGNINX-UHFFFAOYSA-N 412.475 3.427 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(-n4cccc4)cc3)CC2)cc1C 17187585 ZVMOPIJVYLMVEF-UHFFFAOYSA-N 423.538 3.241 0 40 HGAB Cc1cc(O)n2nc([C@H]3CCCN3C(=O)c3c(-c4cccnc4)noc3C)cc2n1 19116817 XMZUQIWEXOMQAM-MRXNPFEDSA-N 404.430 3.079 0 40 HGAB CNC(=O)[C@]1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)Cc2cccnc2)C1 19591529 WIBLTMXPKRJYBD-SANMLTNESA-N 413.521 3.499 0 40 HGAB COc1ccc(OC)c(-c2n[nH]c(C(=O)N3CCC[C@H](Cn4ccnc4)C3)c2C)c1 19718135 USZLFBVCHGTJNB-MRXNPFEDSA-N 409.490 3.151 0 40 HGAB Cc1c(-c2ccnc3cc(C(=O)N[C@H]4CC(C)(C)Oc5ccccc54)nn23)cnn1C 19719030 HPWZKERHBSMXQL-SFHVURJKSA-N 416.485 3.470 0 40 HGAB CCOc1ccc([C@@H]2Nn3c(C)nnc3S[C@H]2C(=O)N2CCCCCC2)cc1 20068847 IJCUGNBVKCFMJU-ZWKOTPCHSA-N 401.536 3.147 0 40 HGAB COCCN1C(=O)c2ccccc2[C@H](C(=O)NCc2ccccn2)C12CCCCC2 20730270 LXDUWUHAWCFONR-OAQYLSRUSA-N 407.514 3.287 0 40 HGAB CCOC(=O)[C@](NCCc1ccccc1F)(NC(=O)c1ccccc1)C(F)(F)F 20841412 VSYIDALSSUVAOP-IBGZPJMESA-N 412.383 3.210 0 40 HGAB COCC(=O)N1CCCc2ccc(NS(=O)(=O)c3cc(C)c(C)cc3C)cc21 21756802 NDGJQBFEMJVRNP-UHFFFAOYSA-N 402.516 3.338 0 40 HGAB Cc1ccc(N(CC(=O)NCCCc2cccc(OC(C)C)c2)S(C)(=O)=O)cc1 22327778 ISWCENAJVKHOAB-UHFFFAOYSA-N 418.559 3.297 0 40 HGAB COc1cc(C)c(CN2CCN([C@H](C)C(=O)Nc3ccc(C)cc3)CC2)cc1OC 22789385 NNXVXWJQEVXQCC-LJQANCHMSA-N 411.546 3.465 0 40 HGAB Cc1nn(C[C@H](O)c2ccccc2F)c(C)c1S(=O)(=O)N1CCc2ccccc21 28920726 PCPFXSBGXCBZGI-FQEVSTJZSA-N 415.490 3.124 0 40 HGAB CN(CCOc1ccccc1Cl)S(=O)(=O)c1ccc(N2CCCC2=O)cc1 31074153 XSWWJGTXRFSOAO-UHFFFAOYSA-N 408.907 3.166 0 40 HGAB C[C@@H](Oc1ccc(F)cc1Br)C(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O 31695114 GTMQCNLGXAUSBE-SECBINFHSA-N 421.222 3.220 0 40 HGAB COc1ccc(C(=O)N(C)[C@H]2CCCc3ccccc32)cc1S(=O)(=O)NC1CC1 40057979 ZKAABIPCXYALOK-IBGZPJMESA-N 414.527 3.286 0 40 HGAB Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)N[C@@H](C)c1cccc(S(N)(=O)=O)c1 48193060 UQHFKUNGFVPVIH-SUMWQHHRSA-N 405.520 3.309 0 40 HGAB CCN(Cc1ccc2c(c1)OCCO2)C(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 48234227 CTRBITRLRBYUEO-KRWDZBQOSA-N 404.507 3.453 0 40 HGAB O=C(CN1CCN(C(=S)NC2CCCC2)CC1)Nc1cc(Cl)cc(Cl)c1 54254391 IYFSXJNYAKZJIM-UHFFFAOYSA-N 415.390 3.367 0 40 HGAB CC(C)CCn1c(=O)c2sccc2n(CC(=O)Nc2ccc3c(c2)CCC3)c1=O 57426701 GLHXKSLCISYCCE-UHFFFAOYSA-N 411.527 3.398 0 40 HGAB Cc1ccccc1-n1c(=O)c2sccc2n(CC(=O)N(C)c2ccccc2)c1=O 57489734 AKUATUXGQGTMCO-UHFFFAOYSA-N 405.479 3.185 0 40 HGAB CN(Cc1nccn1CC(F)(F)F)S(=O)(=O)c1ccc(C(F)(F)F)cc1 58297152 QXKRCAREXIKPLF-UHFFFAOYSA-N 401.332 3.285 0 40 HGAB Clc1ccc2nnc(CCc3nc(-c4cccc(Br)c4)no3)n2n1 71289452 HHNQOWOJEMAFJS-UHFFFAOYSA-N 405.643 3.375 0 40 HGAB C[C@@H](Oc1ccccc1)c1nnc(SCC(=O)Nc2cccc(C(=O)O)c2)n1C 72191514 BCCGEHZWYPVMJB-CYBMUJFWSA-N 412.471 3.384 0 40 HGAB CCOc1ccc(C(=O)N2CCN(CCn3ccnc3-c3ccccc3)CC2)cc1 77158846 XPIBTTTYWYJEFK-UHFFFAOYSA-N 404.514 3.407 0 40 HGAB Cc1noc(-c2cccn(Cc3nc(-c4ccc(OC(F)(F)F)cc4)no3)c2=O)n1 77200501 QABJDLWXWJDLSB-UHFFFAOYSA-N 419.319 3.204 0 40 HGAB O=C1CN(c2ccc(NC(=O)COc3ccc4ccccc4c3)cc2Cl)CCN1 84605966 TTXSDOBOFNNTRU-UHFFFAOYSA-N 409.873 3.447 0 40 HGAB COC(=O)C1CCC(NC(=O)c2ccc(-c3nc(C)cs3)cc2)(C(=O)OC)CC1 95455880 PDPCIQWKTHXMTH-UHFFFAOYSA-N 416.499 3.123 0 40 HGAB Cc1noc(C)c1CN1CCC[C@@]2(CCN(S(=O)(=O)c3cccc(F)c3)C2)C1 96216050 CWOLBMOZRQMHFM-HXUWFJFHSA-N 407.511 3.107 0 40 HGAB CN1c2cc(C(=O)N3CCN(c4ccc(F)cc4)CC3)ccc2C(=O)N2CCCC[C@@H]21 97113024 HWHVSKAXWKQGLB-JOCHJYFZSA-N 422.504 3.190 0 40 HGAB COc1cc([C@@H]2CC(=O)NC3=C2C(=O)OC3(C)C)ccc1OCc1c(C)noc1C 101720571 SJXSIVLETWXDNH-AWEZNQCLSA-N 412.442 3.072 0 40 HGAB Cc1ccc(C(=O)NCCCN(C)c2ccccc2)cc1N1CCCCS1(=O)=O 222578489 XZVHNEWJILRVIJ-UHFFFAOYSA-N 415.559 3.181 0 40 HGAB COC(=O)c1cn(C(=O)[C@@H](C)N(c2ccccc2F)S(C)(=O)=O)c2ccccc12 222632126 SOWMJZLBTDUVAF-CYBMUJFWSA-N 418.446 3.062 0 40 HGAB C[C@H](C(=O)NCCO)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(Cl)cc1 222845505 KRJLFYBDDNUZIB-CQSZACIVSA-N 409.313 3.062 0 40 HGAB CC(=O)N(Cc1ccc(F)cc1)[C@H](Cc1ccccc1)C(=O)NCc1ccccn1 223191291 NFNYKEQEFFKKDS-HSZRJFAPSA-N 405.473 3.497 0 40 HGAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1cccnc1 223607858 WXAOFOZAAIPMQA-NHCUHLMSSA-N 407.543 3.239 0 40 HGAB COc1ccc(S(=O)(=O)NCC2=CCCCC2)cc1C(=O)N1CCCCCC1 224035932 WGJJKRBRRGMIPF-UHFFFAOYSA-N 406.548 3.490 0 40 HGAB COc1ccc(N(CC(=O)N[C@@H](C)C(C)C)S(=O)(=O)c2ccccc2)cc1OC 225187577 VTWFMPLVKRKQAA-INIZCTEOSA-N 420.531 3.060 0 40 HGAB COc1ccc(CCCNC(=S)Nc2cccc(N(C)S(C)(=O)=O)c2)cc1 225556726 DJXPXMFNNDOZKW-UHFFFAOYSA-N 407.561 3.010 0 40 HGAB CCSc1nnc(NC(=O)CN(c2cccc3ccccc23)S(C)(=O)=O)s1 225636488 GAFDHXXGCHPFQB-UHFFFAOYSA-N 422.557 3.208 0 40 HGAB COc1cccc(N2CCN(C[C@H](O)COCC3=CC[C@H]4C[C@H]3C4(C)C)CC2)c1 245228387 USOHZXUXXDAEQE-IEIRFRATSA-N 400.563 3.187 0 40 HGAB O=C(CC1(O)CCCCC1)N1CCO[C@H](c2cccc(Nc3ccc(F)cn3)n2)C1 257212364 CDAYZKUGKDVFRX-SFHVURJKSA-N 414.481 3.345 0 40 HGAB Cc1ncsc1C(=O)N1CCC(COc2cccc(Cl)c2)(CC(N)=O)CC1 257213058 CFZUJOMSMHKNOG-UHFFFAOYSA-N 407.923 3.282 0 40 HGAB O=C(c1cccnc1)N1CCO[C@H](c2cc(CCOc3ccccc3Cl)[nH]n2)C1 257307347 SYHAMSXVVMLZSA-FQEVSTJZSA-N 412.877 3.293 0 40 HGAB COc1ccccc1-c1ccc2c([C@H]3CN(Cc4cccnc4)CCN3C)nnn2c1 306126716 FDFAOBXIQNIAKO-JOCHJYFZSA-N 414.513 3.289 0 40 HGAB COc1ccc(-c2cccc3nc([C@H]4CN(C(=O)c5cccnc5)CCO4)cn23)cn1 306144698 ZMJGRAJKVSJZSW-HXUWFJFHSA-N 415.453 3.014 0 40 HGAB COC(=O)c1c(NS(=O)(=O)c2ccc(OC)c(Cl)c2)sc2c1CCC2 408629529 CTZLNXVGIHTEJR-UHFFFAOYSA-N 401.893 3.486 0 40 HGAB Nn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc(Br)cc1 409098357 LCNMHJMQMGMTJO-UHFFFAOYSA-N 418.320 3.076 0 40 HGAB O=C(NCC[C@H](CCO)c1cccs1)C(=O)Nc1ccc(OC(F)(F)F)cc1 575608320 SJQSYPOSPRHFKF-GFCCVEGCSA-N 416.421 3.258 0 40 HGAB CC(=O)N1CCCCCCCN(C(C)C)Cc2cc(C(=O)N(C)CCO)ccc21 643575092 FTNYMBJBIDBUIE-UHFFFAOYSA-N 403.567 3.278 0 40 HGAB CN(C)CCCNC(=O)c1ccc2c(c1)Cc1cccc(c1)C(=O)NCCCCCO2 643577979 LCRNDULMVFLRKO-UHFFFAOYSA-N 423.557 3.251 0 40 HGAB O=C1COc2c(cc(Cl)cc2NC(=O)N[C@@H]2CCN(c3ccc(F)cc3F)C2)N1 672844499 IAEJOQBKPYQDJV-GFCCVEGCSA-N 422.819 3.350 0 40 HGAB O=C(Nc1c(F)cccc1F)N1CCN(c2ccnc(C(F)(F)F)c2)C(=O)C1 1776008609 JUTRRGFECDBUOU-UHFFFAOYSA-N 400.307 3.259 0 40 HGAB O=C([C@H]1CCCN(c2ncc(Br)cc2Cl)C1)N1CCSCC1 2086868911 AOWOJVDFEIAGDK-NSHDSACASA-N 404.761 3.289 0 40 HGAB COC(=O)C1=CN(Cc2ccc(C)cc2)C=C(C(=O)OC)C1c1ccc2c(c1)OCO2 781168 KUEHSOAGKLTTRK-UHFFFAOYSA-N 421.449 3.437 0 40 HGAB O=C(NC1CCCC1)[C@H](c1cccs1)N(C[C@@H]1CCCO1)C(=O)C(F)(F)F 800204 NRGCIQYVBNHYKQ-ZFWWWQNUSA-N 404.454 3.418 0 40 HGAB COC(=O)[C@](O)(c1ccc(NC(=O)NC2CCCCC2)c(OC)c1)C(F)(F)F 2260513 WSUHOHJEVYOWAI-QGZVFWFLSA-N 404.385 3.072 0 40 HGAB CCOC(=O)[C@](NC(=O)c1ccccc1Cl)(Nc1cc(C)on1)C(F)(F)F 3103415 FXMCMSMQCNIKKN-OAHLLOKOSA-N 405.760 3.300 0 40 HGAB COc1ccc(NC(=O)CN2C(=O)N[C@](C)(c3ccc(Cl)cc3)C2=O)cc1Cl 3267239 WCHCJILGPHXJAC-LJQANCHMSA-N 422.268 3.408 0 40 HGAB O=C(NCc1ccc2c(c1)OCO2)[C@H]1Cc2ccccc2CN1C(=O)c1ccccc1 3411576 JLWJKVFMEIKCRP-OAQYLSRUSA-N 414.461 3.299 0 40 HGAB CCn1c(SCC(=O)NCc2ccc(OC)c(OC)c2)nnc1-c1cccs1 3450243 JPSRNYIWBAKREG-UHFFFAOYSA-N 418.544 3.452 0 40 HGAB C[C@H](c1ccccc1)N1C(=O)N[C@@](NC(=O)CCc2ccccc2)(C(F)(F)F)C1=O 4686621 LPXRIJMNCFASEZ-JLTOFOAXSA-N 419.403 3.307 0 40 HGAB Cc1cccc(NC(=O)C2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)c1 4971729 VOIQIWKCYHJPBP-UHFFFAOYSA-N 416.528 3.039 0 40 HGAB CCn1c(CNC(=O)[C@@H]2CC(=O)N(CCc3ccc(OC)cc3)C2)cc2ccccc21 4973472 NQCLRETXCDJGGB-HXUWFJFHSA-N 419.525 3.377 0 40 HGAB COc1ccc(COn2c(=O)c(-c3ccc(C)cc3)[n+]([O-])c3ccccc32)cc1OC 5274830 WYCUFSWECFRRQM-UHFFFAOYSA-N 418.449 3.256 0 40 HGAB CCOc1ccc(NC(=O)c2cccc(S(=O)(=O)NCc3cccnc3)c2)cc1 5637699 MXRXQTBMJRYTJA-UHFFFAOYSA-N 411.483 3.211 0 40 HGAB O=C(OCC(=O)N1CCc2ccccc2C1)C1CCN(C(=O)Nc2ccccc2)CC1 5970971 YOOPJBAQONGBFA-UHFFFAOYSA-N 421.497 3.059 0 40 HGAB Cc1cc(SCC(=O)OCC(=O)NCC(F)(F)F)c(C)cc1Br 6542698 XJGWEBTYDHYQNB-UHFFFAOYSA-N 414.243 3.380 0 40 HGAB CCn1cnc2c1c(=O)n(Cc1c(F)cccc1Cl)c(=O)n2Cc1ccccc1 6564845 VTXBJTLPHGPALM-UHFFFAOYSA-N 412.852 3.269 0 40 HGAB Cc1ccsc1CN(C(=O)COc1cccc(C)c1C)[C@@H]1CCS(=O)(=O)C1 6810244 FOTYJGCKKIQOJC-QGZVFWFLSA-N 407.557 3.268 0 40 HGAB O=C(CN1C(=O)S/C(=C\c2ccc3c(c2)OCCO3)C1=O)Nc1ccccc1F 6889531 HUQCAPOIDXILAR-YVLHZVERSA-N 414.414 3.272 0 40 HGAB CCCCn1c(N)c(N(C(=O)/C=C/c2cccc(F)c2)C2CCCC2)c(=O)[nH]c1=O 7723814 LZTFZVGMUTUNGZ-VAWYXSNFSA-N 414.481 3.047 0 40 HGAB O=C(NCCC(=O)N(Cc1cccs1)c1ccc2c(c1)OCCO2)c1ccco1 7784267 FGBADPGVUPNJRO-UHFFFAOYSA-N 412.467 3.466 0 40 HGAB COc1ccc(CN(C)C(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccco2)c(OC)c1 8485322 IDJQPXXCGZCNNJ-HXUWFJFHSA-N 422.481 3.297 0 40 HGAB CC(C)[C@@H](NCC(=O)Nc1ccccc1C(=O)NC1CC1)c1ccc2c(c1)OCCO2 8734757 LEPFDVGPJZFAHB-HSZRJFAPSA-N 423.513 3.275 0 40 HGAB COc1cc([C@@H]2CC(=O)Nc3nc(C)[nH]c(=O)c32)ccc1OCc1ccccc1F 8995352 TVEOAEXRZXAUGM-HNNXBMFYSA-N 409.417 3.279 0 40 HGAB COc1cc(/C=C(\C(=O)O)c2ccc(S(=O)(=O)N3CCCC3)s2)cc(OC)c1 9463983 HOLCWEREVCCQBJ-WJDWOHSUSA-N 423.512 3.175 0 40 HGAB Cc1c(C)n2c3c(=O)n(C/C=C/c4ccccc4)c(=O)n(C)c3nc2n1CC(C)C 10233657 CIILXNYLMISHJX-FMIVXFBMSA-N 405.502 3.136 0 40 HGAB CCOC(=O)c1ccc(C)c(NC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)c1 10444709 HFFJFSAUKQWICS-UHFFFAOYSA-N 424.906 3.230 0 40 HGAB O=C1CCCN1c1cccc(C2=NN=C(NCc3ccc4c(c3)OCO4)SC2)c1 11114003 NFZAESIVQBBABB-UHFFFAOYSA-N 408.483 3.139 0 40 HGAB CCOC(=O)C1=C(CSc2nncs2)NC(=O)N[C@@H]1c1ccc(Cl)cc1 11393708 NEHXMEZVOSOCBI-CYBMUJFWSA-N 410.908 3.155 0 40 HGAB Cc1cc(S(=O)(=O)N2CCN(c3ccc(-c4ccccc4)nn3)CC2)ccc1F 11695337 FJKDIIJUJZWOLG-UHFFFAOYSA-N 412.490 3.102 0 40 HGAB CCc1cc(O)n2nc([C@H]3CCCN(C(=O)[C@H](C)Cn4nc(C)c(C)c4C)C3)cc2n1 12134700 ZWIFYTSAJMUKSK-KDOFPFPSSA-N 424.549 3.161 0 40 HGAB Cc1ccc(-n2ncc3c2CCC[C@@H]3NC(=O)C[C@H]2SC(=O)N(C)C2=O)cc1C 12145622 CCKZIBGNZNJZQZ-FUHWJXTLSA-N 412.515 3.067 0 40 HGAB COC(=O)c1ccc2c(=O)n(CCC(=O)N[C@@H](C)c3ccccc3)c(=S)[nH]c2c1 12415889 RHTTVYYUJZYLJH-ZDUSSCGKSA-N 411.483 3.113 0 40 HGAB Cc1nc2cc(C(=O)N3Cc4ccccc4C[C@@H]3C(N)=O)ccc2n1-c1ccccc1 12540244 ORNRYRZMLHNZEB-HSZRJFAPSA-N 410.477 3.386 0 40 HGAB O=C(Nc1ccc2c(c1)OCCCO2)[C@H]1CC(=O)N(Cc2ccccc2Cl)C1 12567709 XUJIZXLUHZKBCB-HNNXBMFYSA-N 400.862 3.489 0 40 HGAB Cc1ccc([C@H](OC[C@H](O)Cn2cnc3ncccc3c2=O)c2ccccc2)cc1 12865925 VVODODGUUWSEMZ-IFMALSPDSA-N 401.466 3.267 0 40 HGAB Cc1nn(Cc2ccccc2)c(C)c1CN[C@H](C)C(=O)N1CC(=O)Nc2ccccc21 14142376 DQZPAFRIRWFAND-QGZVFWFLSA-N 417.513 3.012 0 40 HGAB Cc1nn(-c2nc(C)c(C)c(=O)[nH]2)c(C)c1CCC(=O)NCc1ccc(Cl)cc1 16981070 CWKZJDHWWASQTP-UHFFFAOYSA-N 413.909 3.092 0 40 HGAB Cc1ccc(NC(=O)C(=O)NCCCN2CCO[C@H](c3ccccc3)C2)cc1Cl 17120511 SCQLSVAJRYDKOH-FQEVSTJZSA-N 415.921 3.167 0 40 HGAB O=C(NCCSc1ccccc1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 18214382 ISLAHAHRPNIKJC-UHFFFAOYSA-N 422.547 3.135 0 40 HGAB Cn1nc(C(F)(F)F)cc1C(=O)Nc1ccc(OCC(=O)N2CCCCC2)cc1 19288801 YJKCYXFOSUOKER-UHFFFAOYSA-N 410.396 3.083 0 40 HGAB COc1ccc(OC[C@H](C)NC(=O)[C@@H]2CCCN2c2ncnc3ccccc23)cc1 19456703 UZSWEDQTAPARKY-KKSFZXQISA-N 406.486 3.191 0 40 HGAB Cc1nc2ncnn2c(C)c1CCC(=O)Nc1nc(-c2ccc3c(c2)CCO3)cs1 19578596 GDNLWJPARKVWTP-UHFFFAOYSA-N 420.498 3.371 0 40 HGAB COc1cccc([C@H]2c3ccccc3CCN2CC(=O)Nc2nc(C)cc(O)n2)c1 19716008 GDELFNHCLXXVSX-QFIPXVFZSA-N 404.470 3.085 0 40 HGAB COc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3c[nH]nc3C)CC2)c1 19746641 SDTKUQHFEZSQRQ-NRFANRHFSA-N 410.518 3.274 0 40 HGAB COc1ccc(C)cc1S(=O)(=O)Nc1ccc2c(c1)CCN2C(=O)c1cccnc1 19819326 UBJLRVMIUOWVHP-UHFFFAOYSA-N 423.494 3.402 0 40 HGAB COc1ccc([C@@H](C)NC(=O)[C@@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)cc1 20450460 QZUNOUCDUJXVFQ-ZIAGYGMSSA-N 410.923 3.381 0 40 HGAB CCOC(=O)[C@](NCCc1ccc(F)cc1)(NC(=O)c1ccccc1)C(F)(F)F 20840804 ULJQZHMIJPGXPL-IBGZPJMESA-N 412.383 3.210 0 40 HGAB CCc1nc2ccc(C(=O)Nc3ccccc3C(=O)NCCOC)cc2nc1CC 22503682 YDPWUDAOCKQEEI-UHFFFAOYSA-N 406.486 3.383 0 40 HGAB COc1ccc(-c2nc(CN3C(=O)N[C@@H](Cc4c[nH]c5ccccc45)C3=O)co2)cc1 22841734 ABXQPSRKVRHXAK-FQEVSTJZSA-N 416.437 3.495 0 40 HGAB O=C(NC[C@H](c1ccco1)N1CCc2ccccc2C1)C(=O)Nc1cccc(F)c1 22907446 ZPZYPBHELKQETI-HXUWFJFHSA-N 407.445 3.273 0 40 HGAB COc1cc2nc(CN3CCC[C@@H]3c3ccc4c(c3)OCCO4)[nH]c(=O)c2cc1OC 23845228 OWMATPVQCFFKAI-QGZVFWFLSA-N 423.469 3.049 0 40 HGAB CC(=O)N1c2ccc(C(=O)CSc3nc4sccc4c(=O)n3C)cc2C[C@H]1C 24827202 NFDSZKFIDGDPFX-LLVKDONJSA-N 413.524 3.268 0 40 HGAB CCCc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 24840783 AVXVLIQZIDMNFW-UHFFFAOYSA-N 418.515 3.060 0 40 HGAB COc1ccc(Br)cc1/C=C/C(=O)NC[C@@H]1COc2ccccc2O1 26803534 KEIHEOPHUDEUEQ-RZIFZGNASA-N 404.260 3.427 0 40 HGAB C[C@@H](NC(=O)Cn1c(CS(C)(=O)=O)nc2ccccc21)c1cc2ccccc2o1 27134245 YSTAKSWXKBFWRN-CQSZACIVSA-N 411.483 3.205 0 40 HGAB C[C@]12CCC(=O)N1[C@H](C(=O)NCc1ccc(CN3CCc4ccccc43)cc1)CS2 27589831 IVXDQXGTNBDNLT-URXFXBBRSA-N 421.566 3.320 0 40 HGAB CCSCn1nnc(-c2ccc(OC)cc2)c1C(=O)Nc1ccc(C(N)=O)cc1 32611809 BMKHPSPNEQJUAS-UHFFFAOYSA-N 411.487 3.016 0 40 HGAB CCn1c(=O)c(C)nc2cc(C(=O)N(C)[C@@H](C)c3ccc(-n4cncn4)cc3)ccc21 32739413 OFENONVEONKEEU-INIZCTEOSA-N 416.485 3.139 0 40 HGAB O=C(O)CCNC(=O)c1ccc(NS(=O)(=O)c2ccccc2-c2ccccc2)cc1 32754917 BSELVBFJOUGURR-UHFFFAOYSA-N 424.478 3.359 0 40 HGAB Cc1cc(=O)c(C(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)nn1-c1ccccc1Cl 32772932 BBSTVUNKRDGXTP-GFCCVEGCSA-N 424.844 3.166 0 40 HGAB COCCOc1ccc(S(=O)(=O)N[C@H](C)c2cc(OC)ccc2OC)cc1C 32831128 WYQSCVWMCAWTNT-OAHLLOKOSA-N 409.504 3.077 0 40 HGAB C[C@@H]1Cc2cc(C(=O)Nc3cc4c(cc3Cl)OCCO4)ccc2N1S(C)(=O)=O 32848210 INYGKIYGCITMHS-LLVKDONJSA-N 422.890 3.074 0 40 HGAB C[C@H](OC(=O)c1cccc(CN2C(=O)CNC2=O)c1)C(=O)C12CC3CC(CC(C3)C1)C2 32901764 BBYXRJWLEYTZQW-AAYUJCDTSA-N 424.497 3.069 0 40 HGAB Cc1cc(SCC(=O)Nc2nc(-c3ccc(F)cc3)cs2)n2cnnc2n1 35670651 IOZANGKLASHSET-UHFFFAOYSA-N 400.464 3.426 0 40 HGAB COc1ccccc1CCC(=O)N1CCN(CC(=O)Nc2ccccc2Cl)CC1 36447044 TWWQXAJJMGWDTK-UHFFFAOYSA-N 415.921 3.064 0 40 HGAB CCOc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccc(C(=O)O)cc1 40485108 MKCMQWHCBWJLHV-IBGZPJMESA-N 419.441 3.303 0 40 HGAB COCCn1c(SCC(=O)Nc2ccccc2N2CCCC2=O)nc(C)c1C 46028894 ZBPSNCZDEJTFSU-UHFFFAOYSA-N 402.520 3.004 0 40 HGAB Cc1ccc2c(=O)c(C(=O)Nc3cccc(F)c3)cn(CC(=O)NC3CCCC3)c2n1 49002156 KUDOBSDOBLVLTA-UHFFFAOYSA-N 422.460 3.155 0 40 HGAB Cc1ccc(-c2ccc3nn(CC(=O)Nc4c(C)cccc4C)c(=O)n3n2)cc1C 49399253 JANYMXZAMLINEE-UHFFFAOYSA-N 401.470 3.430 0 40 HGAB CSc1cccc(NC(=O)[C@H]2CC(O)=Nc3c2c(=O)[nH]c(=O)n3CCC(C)C)c1 49551196 ZUTOKBBCEPXYAW-AWEZNQCLSA-N 416.503 3.019 0 40 HGAB CC(C)CCn1c(=O)c2sccc2n(CC(=O)NCc2ccccc2Cl)c1=O 57426611 UJDAEJUDNFAXKB-UHFFFAOYSA-N 419.934 3.241 0 40 HGAB Cc1cc(NC(=O)CN2C(=O)NC3(C2=O)[C@H](C)CCC[C@H]3C)ccc1N1CCCC1 57854318 QWCZNQHKNHSWKE-IAGOWNOFSA-N 412.534 3.280 0 40 HGAB CCOC(=O)[C@H](CNC(=O)[C@@H](NC(=O)c1cccc(C)c1)C(C)C)Cc1ccccc1 58051862 HHHXTARFOSGQGB-VXKWHMMOSA-N 424.541 3.288 0 40 HGAB O=S(=O)(NCCc1ccc2c(c1)OCO2)c1csc(-c2ccc(F)cc2)n1 58358240 YWYXXQYKJHHLOR-UHFFFAOYSA-N 406.460 3.199 0 40 HGAB Cn1c(SCC(=O)NCCc2ccccc2)nnc1-c1sc2ncccc2c1N 64370049 NUCODMLFACOLMG-UHFFFAOYSA-N 424.555 3.125 0 40 HGAB O=C(Nc1nc(C(=O)N2CCN(c3ccc(F)cc3)CC2)co1)c1ccsc1 70638702 HNLCGUGBXGKXFS-UHFFFAOYSA-N 400.435 3.090 0 40 HGAB Cc1ccc(C)c2sc(N(C)CC(=O)Nc3cccc(NS(C)(=O)=O)c3)nc12 70973978 BLCAXNMIMOWBGF-UHFFFAOYSA-N 418.544 3.360 0 40 HGAB CCOc1ccc(NC(=O)c2nnn(CC(=O)Nc3ccc(C)c(F)c3)c2C)cc1 71326971 DMGSXOMOSPDHNO-UHFFFAOYSA-N 411.437 3.324 0 40 HGAB Cc1ccc(NC(=O)Cc2nnc(S[C@H](C)C(=O)Nc3cccnc3)n2C)cc1C 72191629 JJUXAUZBRKABKI-OAHLLOKOSA-N 424.530 3.127 0 40 HGAB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)CCCc2ccc3[nH]c(=O)[nH]c3c2)c1C 72270413 LWNZSMQWSSPWFK-AWEZNQCLSA-N 411.458 3.141 0 40 HGAB O=C(Nc1cc(Br)ccc1-n1cccn1)[C@H]1CCCN(C(=O)C2CC2)C1 78719831 BZXXINBVYFEITD-AWEZNQCLSA-N 417.307 3.222 0 40 HGAB COc1ccc(CN(C(=O)c2cccnc2I)C2CC2)cc1 95456777 WVQCUPHPIIODMG-UHFFFAOYSA-N 408.239 3.500 0 40 HGAB C[C@](O)(CNS(=O)(=O)c1c[nH]c2ncccc12)C(c1ccccc1)c1ccccc1 95461899 PXPKVMCETMFPPH-QHCPKHFHSA-N 421.522 3.424 0 40 HGAB CC(C)C(=O)Nc1nc(CC(=O)N[C@H](CC(=O)O)c2ccc(Cl)s2)cs1 95463975 XVKVFYMTJWEJIA-SNVBAGLBSA-N 415.924 3.327 0 40 HGAB O=C(NCC1CCN(C(=O)COc2ccccc2)CC1)c1ccc2ncsc2c1 96120346 VEQAJUHUVOAEMD-UHFFFAOYSA-N 409.511 3.344 0 40 HGAB Cc1cccc(N2C(=O)C[C@@H](Sc3cccc(NC(=O)/C=C/C(=O)O)c3)C2=O)c1C 113560522 COLJXPQBEGZVKH-QZEKMECESA-N 424.478 3.307 0 40 HGAB Cc1ccccc1CNC(=O)[C@@H](C)NCC1(c2ccc3c(c2)OCO3)CCOCC1 195675467 RLATZYFAFWOKSY-GOSISDBHSA-N 410.514 3.066 0 40 HGAB CCC(=O)N1CCc2cc(S(=O)(=O)N[C@H](C)COc3ccccc3C)ccc21 223662084 WIQDOUARZDBCAO-MRXNPFEDSA-N 402.516 3.040 0 40 HGAB CC[C@H](C(=O)NCCOc1ccccc1)N(c1ccc(C)c(C)c1)S(C)(=O)=O 224311942 OCBZRXZEASCPGZ-HXUWFJFHSA-N 404.532 3.043 0 40 HGAB CCOCCCNC(=O)c1ccc(CN(CC)S(=O)(=O)c2ccc(C)cc2)cc1 224456886 VPDDPWJSTHXNDF-UHFFFAOYSA-N 418.559 3.362 0 40 HGAB C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1cccc(N(C)S(C)(=O)=O)c1 224714645 WSFTYNYPJMOWTK-HNNXBMFYSA-N 402.516 3.367 0 40 HGAB CCNC(=O)c1cc(S(=O)(=O)Nc2ccc(N3CCCCC3)cc2)ccc1OC 224960763 BBOJFCGFZHNBNK-UHFFFAOYSA-N 417.531 3.236 0 40 HGAB COc1cccc(CN(C(=O)COc2ccc(F)cc2)[C@@H](C)C(=O)NC(C)C)c1 225665116 SIFAULCNQSTGJR-INIZCTEOSA-N 402.466 3.155 0 40 HGAB COc1cccc(OC)c1OCC(=O)N1CCCC[C@@H]1c1nnc(-c2cccnc2)o1 257213725 CIUXZLNSGXDZIL-MRXNPFEDSA-N 424.457 3.281 0 40 HGAB Cc1cc(Nc2nc(C)cc(C)n2)cc([C@H]2CN(C(=O)c3ccccn3)CCO2)n1 257237579 HHCSGNCILAHMDN-HXUWFJFHSA-N 404.474 3.149 0 40 HGAB CC(C)n1nccc1C(=O)N1CCC[C@](COc2cccc(Cl)c2)(CC(N)=O)C1 257268730 MMXUNABJZNUIBN-NRFANRHFSA-N 418.925 3.294 0 40 HGAB CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N[C@H](C)c1ccccc1C 260816684 ZAIRTUJZCYNWRW-OXQOHEQNSA-N 404.532 3.426 0 40 HGAB O=C(c1ccc2c(c1)OCCCO2)N1CCO[C@@]2(CCCC[C@@H]2N2CCCC2)C1 306127738 GFXDHOOYKCPMKA-GMAHTHKFSA-N 400.519 3.098 0 40 HGAB Cc1ccc(CNS(=O)(=O)c2ccc(O[C@@H](C)C(=O)NCC(C)C)cc2)cc1 408591691 JCTBYTDAAYYRSG-KRWDZBQOSA-N 404.532 3.013 0 40 HGAB O=C(O)CN1C(=O)N/C(=C/c2ccc(OCc3ccc4ccccc4c3)cc2)C1=O 408592222 LTQYTWQYZPWPCR-UDWIEESQSA-N 402.406 3.396 0 40 HGAB CCOC(=O)C1=C(C)N=C(SCC(=O)O)N[C@H]1c1cccc(Br)c1 408986707 DBJQKZDPADJYHN-AWEZNQCLSA-N 413.293 3.104 0 40 HGAB CCc1ccc(NC(=O)CSc2nnc(CNC(=O)c3cccc(C)c3)n2C)cc1 409075299 YNXRZSGNZDRNRJ-UHFFFAOYSA-N 423.542 3.347 0 40 HGAB Cn1cc(Br)c(=O)c(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 508533786 VVNGEKCPZFRCCW-UHFFFAOYSA-N 412.092 3.255 0 40 HGAB O=C(c1cc(O)nc2ccccc12)N1CCC[C@H](n2cnc3ccccc3c2=O)C1 575615089 BFXFMMWLIBQAIA-HNNXBMFYSA-N 400.438 3.128 0 40 HGAB O=C(c1ccnc(F)c1)N1CCO[C@H](c2ncn3cc(-c4ccncc4)ccc23)C1 585113158 QQMMOKDSVXSMAO-IBGZPJMESA-N 403.417 3.144 0 40 HGAB COc1ccc([C@H]2C3=C(CN(C(C)=O)C3=O)Nc3cccc4[nH]cc2c34)cc1OC 1547138994 YAXYDYGSJHGBEQ-HXUWFJFHSA-N 403.438 3.385 0 40 HGAB biogenic O=C(NCC1(N2CCOCC2)CCSCC1)Nc1ccccc1C(F)(F)F 1775976079 VHTIAGFRXMDHRP-UHFFFAOYSA-N 403.470 3.425 0 40 HGAB COc1ccc(C)c2sc(N3CCC(N4CC(=O)N(C5CC5)C4=O)CC3)nc12 1888881990 JCOPBDXGOHRXDB-UHFFFAOYSA-N 400.504 3.009 0 40 HGAB Cc1nn(-c2ccccc2)c2sc(C(=O)NC(=S)N[C@@H]3CCSC3=O)cc12 1794946 FZQBXFNGQPOWIY-CYBMUJFWSA-N 416.553 3.032 0 40 HGAB Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3cccnc3Cl)cc2)nc(C)n1 2736328 IXDSJVISEGPVJC-UHFFFAOYSA-N 417.878 3.195 0 40 HGAB C[C@H](Cn1cc(Br)cn1)c1nc2c3cnn(-c4ccccc4)c3ncn2n1 2803874 UOTAPQNYDWFQAZ-GFCCVEGCSA-N 423.278 3.226 0 40 HGAB O=C(CCCCCn1c(=S)[nH]c2cc3c(cc2c1=O)OCO3)NCc1ccco1 2974426 QGXHKVHWGVRXET-UHFFFAOYSA-N 415.471 3.258 0 40 HGAB CC(=O)c1ccccc1NC(=O)COC(=O)c1ccccc1I 3299387 CVDCEVARYLWWFA-UHFFFAOYSA-N 423.206 3.289 0 40 HGAB CCOc1cc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2ccccc2F)ccc1O 4276378 WWYGMVBTAOSFEO-GOSISDBHSA-N 401.463 3.362 0 40 HGAB COc1ccc(OC)c2sc(NC(=O)CCS(=O)(=O)c3ccccc3)nc12 4325704 QRSFOIPGMWPZAR-UHFFFAOYSA-N 406.485 3.116 0 40 HGAB Cc1nnc(SCC(=O)Nc2ccc(N3CCOCC3)cc2)n1Cc1ccccc1 4891309 PUNQNAVCXLOYMY-UHFFFAOYSA-N 423.542 3.202 0 40 HGAB Cc1csc2nc(-c3ccc(NC(=O)c4ccc(S(N)(=O)=O)cc4)cc3)cn12 5083727 UYLMHAHPQCNRCG-UHFFFAOYSA-N 412.496 3.271 0 40 HGAB Cc1cccc(C(C)C)c1NC(=O)CN1C(=O)N[C@@](C)(c2ccc3c(c2)OCO3)C1=O 5450193 JYOIHDXMDQSWCY-QHCPKHFHSA-N 423.469 3.253 0 40 HGAB CC1CCN(C(=O)Cn2c3ccc(F)cc3c3nc4n(c(=O)c32)CCCS4)CC1 5451506 YISVHJQRWSRYBI-UHFFFAOYSA-N 414.506 3.245 0 40 HGAB CCOC(=O)CNC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1CC 5500874 CLBYOAMAOZSCQL-UHFFFAOYSA-N 404.536 3.034 0 40 HGAB CCC(CC)C(=O)OCC(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl 5788210 PIHCBSJBQVULFV-UHFFFAOYSA-N 416.927 3.042 0 40 HGAB O=C(OCCOc1ccc(F)cc1)c1ccccc1S(=O)(=O)N1CCCCC1 5806148 RFZWPMNZUOLICG-UHFFFAOYSA-N 407.463 3.236 0 40 HGAB C[C@@H](NC(=O)OC(C)(C)C)c1nnc(S(=O)(=O)Cc2ccc(Cl)cc2)o1 5999229 JPQAQNNEIFKPRM-SNVBAGLBSA-N 401.872 3.283 0 40 HGAB COc1ccc(N2C(=O)C(=O)N(CC(=O)Nc3c(C)cccc3C(C)C)C2=O)cc1 6114562 RAWCINRYQCJSKU-UHFFFAOYSA-N 409.442 3.061 0 40 HGAB CCCn1c(SCC(=O)Nc2ccccc2C(=O)OC)nc2ccccc2c1=O 6432230 GXBAUCAKMODMPR-UHFFFAOYSA-N 411.483 3.324 0 40 HGAB COc1ccc(C(=O)N(Cc2ccccc2F)[C@@H]2CCS(=O)(=O)C2)cc1Cl 6811112 ZODIRQLAFGMFOL-OAHLLOKOSA-N 411.882 3.317 0 40 HGAB O=S(=O)(Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccc(F)cc1 7051329 BEFHJMHXFXXXQA-UHFFFAOYSA-N 412.508 3.191 0 40 HGAB CS(=O)(=O)N(CC(=O)NCCc1ccc(Cl)cc1)c1cccc(Cl)c1 7136556 VEUDORYRPFFFML-UHFFFAOYSA-N 401.315 3.118 0 40 HGAB Cc1cc(Br)ccc1NC(=O)CN(C)[C@@H](C)C(=O)NCc1ccccc1 7268082 AKWMIUHADNNZNE-HNNXBMFYSA-N 418.335 3.333 0 40 HGAB COc1cc(OC)c(/C=C(\Sc2nnc(C)o2)C(=O)O)cc1Br 7603569 UAAZKDQDXLXAOA-XGICHPGQSA-N 401.238 3.376 0 40 HGAB Cc1cc(C)cc(N2C[C@H](C)Cn3c2nc2c3c(=O)n(CCC(C)C)c(=O)n2C)c1 8658329 YZXFWWYMDKSQHA-KRWDZBQOSA-N 409.534 3.347 0 40 HGAB CSc1nc2nc(C)c(CC(=O)N(C)Cc3ccccc3N3CCCC3)c(C)n2n1 8778287 ILDDFAQBGZFMFE-UHFFFAOYSA-N 424.574 3.264 0 40 HGAB Cc1ccc(-c2cc(-c3nnc(SCC(=O)Nc4cccc(C)c4)n3N)[nH]n2)cc1 9014000 NPKUCMGNGVGSPN-UHFFFAOYSA-N 419.514 3.397 0 40 HGAB C[C@@H](OC(=O)c1ccc(Cl)s1)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F 9485400 SOBLDBYQBFQMGH-SSDOTTSWSA-N 420.796 3.119 0 40 HGAB COc1ccc(Cc2nnc3sc([C@@H]4COc5ccccc5O4)nn23)cc1OC 9486193 JDUGGTCBQJYRLR-KRWDZBQOSA-N 410.455 3.306 0 40 HGAB CC(=O)[C@@H](Cc1ccccc1)NC(=O)COC(=O)CCC(=O)c1ccc(Cl)s1 9489094 DHMIUDXUSJNEKW-OAHLLOKOSA-N 421.902 3.224 0 40 HGAB COc1ccc2c(c1)CCCN2C(=O)[C@H](CCSC)N1C(=O)c2ccccc2C1=O 10542130 GDXFHYFIVAKYQA-FQEVSTJZSA-N 424.522 3.392 0 40 HGAB COc1ncc(C(=O)N2CCCC[C@@H]2c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C)N3)cn1 12182423 OPKODVVSYLYPRA-KCPJHIHWSA-N 424.427 3.357 0 40 HGAB COc1ccc(CC(=O)N2CCC[C@H](c3nc(O)cc(-c4ccccn4)n3)C2)cc1 12256754 IWHDYOTWTMLJIR-KRWDZBQOSA-N 404.470 3.202 0 40 HGAB O=C(NCc1ccccc1F)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 12733601 LPZHYXHIBDNUIM-ZDUSSCGKSA-N 402.900 3.010 0 40 HGAB O=C(Nc1c(C(=O)N2CCOCC2)oc2ccccc12)c1cc(O)nc2ccccc12 12784506 RCWFHMJEXGLTMF-UHFFFAOYSA-N 417.421 3.411 0 40 HGAB Cc1cccc(CNC(=O)c2ccc(CN3C(=O)c4ccccc4S3(=O)=O)cc2)c1 12824451 YMNBVIFUQOLFNO-UHFFFAOYSA-N 420.490 3.270 0 40 HGAB CC(=O)c1cccc(NC(=O)COc2ccc3nc4n(c(=O)c3c2)CCCCC4)c1 12902559 WJTQMWYMFAGQDX-UHFFFAOYSA-N 405.454 3.343 0 40 HGAB biogenic COCCn1nc(C(=O)Nc2ncc(Cc3cccc(C)c3Cl)s2)ccc1=O 12919275 QPPPGFGNEGLQFZ-UHFFFAOYSA-N 418.906 3.151 0 40 HGAB O=C(c1cccc(CN2C(=O)CNC2=O)c1)N1CCC(CCc2ccccc2)CC1 12920491 GDTCKRTYGWKKOO-UHFFFAOYSA-N 405.498 3.223 0 40 HGAB CCc1ccc(-c2nn(CN(CC(C)C)[C@H]3CCS(=O)(=O)C3)c(=S)[nH]2)cc1 12924291 FKBYEKGIXKLLMM-KRWDZBQOSA-N 408.593 3.273 0 40 HGAB Cc1cc(F)ccc1NC(=O)CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 13096066 HIVYAPIJVMCCIY-UHFFFAOYSA-N 420.384 3.340 0 40 HGAB O=C(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)NCCSCc1ccc(Cl)cc1 13688749 OXTROAQARKPSDE-CALCHBBNSA-N 406.935 3.031 0 40 HGAB CCOC(=O)Cn1c(=O)n2nc(-c3cccs3)nc2c2c3c(sc21)CCCC3 13690609 OCSDQAKCMJCMKZ-UHFFFAOYSA-N 414.512 3.276 0 40 HGAB Cc1ccc(-c2ccc(=O)n(CCCNC(=O)COc3cccc(C)c3C)n2)cc1 13801086 RXFYSCBURGKBSB-UHFFFAOYSA-N 405.498 3.421 0 40 HGAB COc1ccc(S(=O)(=O)NCc2ccccc2CN2CCCCC2)cc1OC 15360789 SMLGINMZCIMZLD-UHFFFAOYSA-N 404.532 3.168 0 40 HGAB O=C(NC[C@@H](c1cccnc1)N1CCc2ccccc2C1)C(=O)NC1CCCCCC1 15882580 OTVVZNABSABRMH-QHCPKHFHSA-N 420.557 3.136 0 40 HGAB NC(=O)C1CCN(C(=O)CCc2csc3nc(-c4ccc(Cl)cc4)cn23)CC1 16848876 WBAUVBYKZYEFGW-UHFFFAOYSA-N 416.934 3.373 0 40 HGAB O=C(COC(=O)c1ccccc1NC(=O)c1ccco1)Nc1cccc2nsnc12 19077187 YRBFEDCFCNNSDR-UHFFFAOYSA-N 422.422 3.332 0 40 HGAB Cc1ccc2c(c1)C(=O)CC1(CCN(C(=O)[C@H](C)n3nnc4ccccc43)CC1)O2 19218118 KYMHKSHENHXPMN-INIZCTEOSA-N 404.470 3.327 0 40 HGAB CN1c2ncccc2C(=O)N[C@H]1c1ccc(NC(=O)CN2CCCCCCC2)cc1 19590934 JVMXIDZENVPFCE-OAQYLSRUSA-N 407.518 3.165 0 40 HGAB CC(=O)N1CCC[C@@H]1c1nc(CN(C)Cc2cccc3cccnc23)cc(N(C)C)n1 19709800 UAXMAWZHFHDFDM-OAQYLSRUSA-N 418.545 3.406 0 40 HGAB COc1ccc(Cl)cc1NS(=O)(=O)c1ccc(OC)c(N2CCCC2=O)c1 20454977 DTDZVVIDUCYOQO-UHFFFAOYSA-N 410.879 3.285 0 40 HGAB COc1ccccc1CN(C)C(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O 20459835 MYJYYQKRXCKZBX-UHFFFAOYSA-N 410.923 3.082 0 40 HGAB CC[C@@H](C)[C@H](NC(=O)N1CCc2nc[nH]c2[C@H]1c1cccc(Cl)c1)C(=O)OC 20727056 PJKHFXQCEFVQRK-PZPSRYQVSA-N 404.898 3.308 0 40 HGAB CCOC(=O)/C=C/c1ccc(NC(=O)CN(C)Cc2ccc(OC)cc2OC)cc1 22060250 SJINORLSRMOADU-MDWZMJQESA-N 412.486 3.351 0 40 HGAB COc1ccc(N(CC(=O)N[C@H](C)C(C)C)S(=O)(=O)c2ccc(C)cc2)cc1 22351383 RUSUGZYYINUNOM-QGZVFWFLSA-N 404.532 3.360 0 40 HGAB CCCOc1ccc(N(CC(=O)NCCSc2ccccc2)S(C)(=O)=O)cc1 22384390 CDJYYKUFCIXGBO-UHFFFAOYSA-N 422.572 3.150 0 40 HGAB CC(=O)Nc1cccc(NC(=O)C[C@H]2CCCCN2S(=O)(=O)c2cccs2)c1 22732541 MSNCNALLKGBBDH-QGZVFWFLSA-N 421.544 3.279 0 40 HGAB Cc1ccn(C(=O)c2ccc(CN3C(=O)CCC3=O)cc2)/c(=N/C2CCCCC2)c1 23199446 MMKQHYRLJWJTHL-NJNXFGOHSA-N 405.498 3.367 0 40 HGAB COc1cc(NS(=O)(=O)c2cccc3cc(C)cnc23)ccc1N1CCCC1=O 24375658 HATGQXCQDCAVBU-UHFFFAOYSA-N 411.483 3.479 0 40 HGAB CNc1nc(SCCOc2ccc(S(=O)(=O)N(C)C)cc2)nc2ccccc12 25031257 JFCKODVPFQKEOC-UHFFFAOYSA-N 418.544 3.093 0 40 HGAB O[C@@H](CSc1nnnn1C[C@@H]1CCCO1)Cn1c2ccccc2c2ccccc21 25063550 NCTBOYJUEYWCCH-CVEARBPZSA-N 409.515 3.113 0 40 HGAB CN(C)[C@H](CNC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1)c1ccsc1 25332144 FCLXCFTWIVVZSP-MHNQQFQPSA-N 411.571 3.419 0 40 HGAB Cc1sc2nc(CN3CCOCC3)nc(Sc3nnc4ccccn34)c2c1C 25784518 RORQHSPOVMQEFB-UHFFFAOYSA-N 412.544 3.334 0 40 HGAB CSc1ncc(C(=O)Nc2cccc(NS(C)(=O)=O)c2)n1-c1ccc(F)cc1 31134923 JVHHPAYXCJGUFM-UHFFFAOYSA-N 420.491 3.357 0 40 HGAB COc1c(C)cnc(CN2CCN([C@H](C(=O)O)c3c[nH]c4ccccc34)CC2)c1C 31812216 GPYUPZRUAYKCED-NRFANRHFSA-N 408.502 3.132 0 40 HGAB COc1cccc(NC(=O)Cn2c(=O)n(-c3ccccc3)c(=O)c3cc(C)sc32)c1 32093109 DGRHBHRKMWXQFY-UHFFFAOYSA-N 421.478 3.170 0 40 HGAB COc1ccc(-c2nnc(SCC(=O)Nc3ccc(C)cc3C)n2N)c(OC)c1 32719422 PDOCZWOXKQXGMS-UHFFFAOYSA-N 413.503 3.024 0 40 HGAB CC(C)[C@@H](NC(=O)Nc1ccccc1)C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 32808965 SHMXZXFJXIGWQG-DNVCBOLYSA-N 417.531 3.114 0 40 HGAB CN(C(=O)CCCN1C(=O)c2ccc(Br)cc2C1=O)c1ccc(O)cc1 32809354 QIJPLBFECFRJER-UHFFFAOYSA-N 417.259 3.194 0 40 HGAB COc1ccc(CC(=O)OCc2cc(=O)n3c(n2)sc2ccccc23)cc1OC 32838874 HBGDYLXIMJCSSZ-UHFFFAOYSA-N 410.451 3.212 0 40 HGAB O=C(C(c1ccccc1)c1ccccc1)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 33000015 KTVWAXQRUZRMEU-NHCUHLMSSA-N 413.539 3.013 0 40 HGAB Cn1c(SCC(=O)NCc2cccs2)nnc1-c1ccc2c(c1)OCCCO2 33087491 MWBHJWJMQQWRMF-UHFFFAOYSA-N 416.528 3.113 0 40 HGAB CCCCn1c(-c2cccc(O)c2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 36394239 RVXFUKSYWJMGKV-UHFFFAOYSA-N 415.515 3.230 0 40 HGAB CC[C@H](CCNS(=O)(=O)c1cnn(C(F)F)c1)n1nc(C(F)(F)F)cc1C 36614886 ULTKMQDVGLQRID-SNVBAGLBSA-N 415.388 3.122 0 40 HGAB O=C(CCc1cnn(-c2ccccc2)c1)NCCC(=O)N1CCCc2ccccc21 40122533 KMVBRIFRKWLQFD-UHFFFAOYSA-N 402.498 3.291 0 40 HGAB COCCOC(=O)c1c(C)[nH]c(C(=O)Nc2cc(OC)c(Cl)cc2OC)c1C 40129757 BVQGEGHONNYFCE-UHFFFAOYSA-N 410.854 3.358 0 40 HGAB O=C(Nc1cc(N2CCCS2(=O)=O)ccc1O)c1cccc(C(F)(F)F)c1 40150131 TUYMDAQFJXLWLM-UHFFFAOYSA-N 400.378 3.203 0 40 HGAB O=C(CCC(=O)c1ccc(Br)cc1)Nc1ccc(-n2cnnn2)cc1 40159451 IYBQIULATMHEBU-UHFFFAOYSA-N 400.236 3.026 0 40 HGAB Cc1ccc(-c2cc3c(=O)n(CC(=O)NCc4ccc(Cl)cc4)ncn3n2)c(C)c1 51317003 UZFDPAIXXDNLQM-UHFFFAOYSA-N 421.888 3.145 0 40 HGAB Cc1cc(F)ccc1NC(=O)Cn1c(=O)n(CCC(C)C)c(=O)c2sccc21 57426687 YWKBZDHACJNKCN-UHFFFAOYSA-N 403.479 3.357 0 40 HGAB Cc1c(NC(=O)C(C)(C)c2ccc3c(c2)OCCO3)c(=O)n(-c2ccccc2)n1C 60213044 GFPQSVGVPDXLAY-UHFFFAOYSA-N 407.470 3.172 0 40 HGAB Cc1ccc(NC(=O)c2sccc2S(=O)(=O)N2CCSCC2)c(F)c1 72042729 HGCGZBYIXPJRIK-UHFFFAOYSA-N 400.522 3.185 0 40 HGAB Cc1ccc(CN2CCC(c3nc(-c4ccccn4)ncc3S(C)(=O)=O)CC2)o1 72335858 UFIVJQRQSYTIGB-UHFFFAOYSA-N 412.515 3.223 0 40 HGAB C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(Cc2nc3ccc(Cl)cc3c(=O)[nH]2)C1 95995448 BGEWOMDKKDSXRI-STQMWFEESA-N 406.914 3.312 0 40 HGAB Cc1nn(CC(F)(F)F)c(C)c1[C@@H]1COCCN1C(=O)c1ccc2c(c1)CCO2 96002566 SWAKIWNFMIGVGS-INIZCTEOSA-N 409.408 3.211 0 40 HGAB CC(C)CNC(=O)C[C@@H]1CC2(CCN(C(=O)c3cnccn3)CC2)Oc2ccccc21 96053534 SVPNTKOCOLOXGE-GOSISDBHSA-N 422.529 3.180 0 40 HGAB CCN1CCn2c(-c3ccccc3)cnc2C12CCN(C(=O)c1cc(C)on1)CC2 96263311 NNBPNBHHRGZBHN-UHFFFAOYSA-N 405.502 3.314 0 40 HGAB C[C@@H]1CCCCN1CCCNC(=O)[C@@H]1C[C@@H]2CC[C@@H]1C[C@@]21NC(=O)c2ccccc2N1 100117894 HWPYTFDERBNLQJ-YGBQNAPDSA-N 424.589 3.355 0 40 HGAB CC(=O)c1ccc(OC(=O)c2cccc(N3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4C3)c2)cc1 101227424 FIWSAFIEUDRWFG-LRGYGIHKSA-N 401.418 3.420 0 40 HGAB CCOc1ccc([C@H]2c3c(-c4ccc(C)cc4)nnc(O)c3Nc3nnnn32)cc1 111999960 UMOBLKLTWFPOSS-IBGZPJMESA-N 401.430 3.238 0 40 HGAB O=C(NCc1cccnc1)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl 216410707 YOPAXMMOIOVBKX-UHFFFAOYSA-N 401.875 3.466 0 40 HGAB CCSc1ccccc1NC(=O)CN(c1ccc(F)cc1F)S(C)(=O)=O 220096319 GDILFSCQDOSIKI-UHFFFAOYSA-N 400.472 3.482 0 40 HGAB COc1cccc(N([C@H](C)C(=O)N[C@@H](C)c2ccc(C)cc2C)S(C)(=O)=O)c1 220182755 KBBVPYUFKBIKNO-DLBZAZTESA-N 404.532 3.344 0 40 HGAB COc1cccc(N(CCCC(=O)N2c3ccccc3C[C@@H]2C)S(C)(=O)=O)c1 223116665 UNAYWDQGOOPEHC-INIZCTEOSA-N 402.516 3.219 0 40 HGAB CCOC(=O)CN(c1ccc(F)cc1F)S(=O)(=O)c1ccc(OC)c(Cl)c1 224962799 BMEHKXDEVUPVPK-UHFFFAOYSA-N 419.833 3.385 0 40 HGAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1cccc(S(=O)(=O)N(C)C)c1 225423721 PLBQKPWYDNHHOX-GOSISDBHSA-N 402.516 3.278 0 40 HGAB CC(C)(Cc1ccccc1)NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 225476076 WKMSEVNFHPQYFQ-UHFFFAOYSA-N 400.544 3.225 0 40 HGAB COc1ccccc1N1CCN(C(=O)Cn2ccc(=O)c3cc(Cl)ccc32)CC1 225724524 RXCHOXYJWQNARE-UHFFFAOYSA-N 411.889 3.012 0 40 HGAB COc1ccc(F)cc1S(=O)(=O)N1CC[C@@H](Oc2cc(C(F)(F)F)ccn2)C1 225736390 RZVHZAABTXSSPN-CYBMUJFWSA-N 420.384 3.090 0 40 HGAB COCCOc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCOCC2)c(C)n1 225877996 WNKQNGRKCNAFCM-UHFFFAOYSA-N 400.475 3.111 0 40 HGAB Cc1nc([C@H]2CCCN(C(=O)c3cccc(F)c3)C2)nc(C)c1CC(=O)NC(C)C 257235720 GZBUGNWAROTJNR-SFHVURJKSA-N 412.509 3.319 0 40 HGAB COc1ccc(N([C@H](C)C(=O)Nc2ccc(N3CCCC3)cc2)S(C)(=O)=O)cc1 260897356 LKRPXZGNJWNVNU-MRXNPFEDSA-N 417.531 3.089 0 40 HGAB CC(C)N1C[C@@]2(CCN(Cc3ccccc3F)C2)Oc2ccccc2S1(=O)=O 306134338 NJLSFKYGYCHUHM-NRFANRHFSA-N 404.507 3.262 0 40 HGAB CCC(CC)C(=O)N1CC(F)(F)C[C@]2(CCCN(Cc3cc(C)nn3C)C2=O)C1 306141979 WLTQOMOAIAPHGT-HXUWFJFHSA-N 410.509 3.141 0 40 HGAB CC1CCN(S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(F)cc3F)cc2)CC1 408618948 GYQOMHWKMUKWNJ-UHFFFAOYSA-N 424.469 3.403 0 40 HGAB COc1ccc(S(=O)(=O)NCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 409172187 CTDGWVQUNMXSNP-UHFFFAOYSA-N 422.812 3.284 0 40 HGAB Cc1ccn(-c2ccc(C(=O)N3CCC4(CC3)C[C@H]4C(=O)N3CCCCC3)cc2)n1 540011070 VUXQTDZIAINTMH-NRFANRHFSA-N 406.530 3.436 0 40 HGAB O=C1CN(C(=O)c2ccc3ncn(-c4ccc(Cl)cc4)c3c2)CN1CC(F)(F)F 557904628 ISFGHZCKBBHOJQ-UHFFFAOYSA-N 422.794 3.483 0 40 HGAB Cc1ccc(N2CC[C@]3(CN(C(=O)Cc4cccc(F)c4F)CCC3(F)F)C2)nn1 585102072 QGWQBKKBYBHSTG-HXUWFJFHSA-N 422.426 3.370 0 40 HGAB Cc1ccc(CC(=O)N2CCO[C@@]3(C2)C(=O)N(C(C)C)C[C@@H]3c2ccccc2)cc1 585106752 HMYJIYOVPTUEGT-RCZVLFRGSA-N 406.526 3.170 0 40 HGAB COCCOc1cc(CN2CCC(O)(COc3ccccc3F)CC2)ccc1OC 585270500 LLKQEYHPQSHJAG-UHFFFAOYSA-N 419.493 3.265 0 40 HGAB Cc1ocnc1C(=O)N1CCC[C@@]2(CCCCc3ccccc3OCCNC2=O)C1 643560142 MAJLZTVEEYVGQL-QHCPKHFHSA-N 411.502 3.127 0 40 HGAB COc1ccc(CN2CCC3(CC2)OC(=O)N2CCN(Cc4ccccc4)C[C@H]23)cc1 1549161013 CRROQOJHDIOZTO-QHCPKHFHSA-N 421.541 3.366 0 40 HGAB C=C(Nc1cc2oc(N3CCOCC3)nc2cn1)c1ccc(-c2ccc(N)nc2)nc1 1560403848 TUPXJSNEKVONHF-UHFFFAOYSA-N 415.457 3.181 0 40 HGAB CNC(=O)[C@@H](Cc1ccccc1)NC(=O)N[C@@H](C)Cc1ccc(C(F)(F)F)cc1 1677075718 CVUDWJAPUOTFNP-KBXCAEBGSA-N 407.436 3.293 0 40 HGAB CCOC(=O)c1sc(NC(=O)COc2ccc3c(C)cc(=O)oc3c2)nc1C 857276 WOEVIKUUVDYKNH-UHFFFAOYSA-N 402.428 3.061 0 40 HGAB CCOc1ccc(OCC)c(NC(=O)CSc2nnc(-c3cccnc3)n2C)c1 894230 ACLJTSLSVYDEQG-UHFFFAOYSA-N 413.503 3.405 0 40 HGAB C[C@H](C(=O)OCC(=O)Nc1cccc2ccccc12)N1C(=O)c2ccccc2C1=O 941641 VXOFSHIXGPNHOO-CQSZACIVSA-N 402.406 3.006 0 40 HGAB COc1cc(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)ccc1OC(F)F 3462738 LPCAIDOVBYKGFL-UHFFFAOYSA-N 403.385 3.347 0 40 HGAB CCn1c(SCC(=O)NCC(=O)Nc2ccc(F)cc2)nnc1-c1cccs1 3466342 DFZXFNFAKFNNMZ-UHFFFAOYSA-N 419.507 3.013 0 40 HGAB COc1ccc(C(=O)Nc2cccc(SC)c2)cc1S(=O)(=O)N1CCCC1 3548755 LGNJBVRVZSMSMI-UHFFFAOYSA-N 406.529 3.454 0 40 HGAB Nc1c(/C=C/c2cc3cc(C4=NCCN4)ccc3o2)[nH]c2cc(C3=NCCN3)ccc12 3933527 UPLQHBHGZYJTMH-HWKANZROSA-N 410.481 3.366 0 40 HGAB in-vitro CCOc1cc(NC(=S)NCCCN(C)C)c(OCC)cc1NC(=O)C1CC1 4127341 RDIDVTHGHATIAC-UHFFFAOYSA-N 408.568 3.071 0 40 HGAB O=S(=O)(c1ccc2ccccc2c1)N(C[C@@H](O)CN1CCCC1)c1ccccc1 5023388 XVHAYCWRZDGZFG-QFIPXVFZSA-N 410.539 3.492 0 40 HGAB CC(=O)c1cccc(NC(=O)C2CCC(Cn3nnc4ccccc4c3=O)CC2)c1 5307938 OLWKBFQCOGHIFA-UHFFFAOYSA-N 404.470 3.439 0 40 HGAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)Sc1nc(C)c(C)c(C)n1 5972864 LYRSWYPTIOKILG-HNNXBMFYSA-N 422.576 3.080 0 40 HGAB Cc1cccc(C(C)C)c1NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 6232139 POXHSDJYHWUPPQ-UHFFFAOYSA-N 402.516 3.392 0 40 HGAB CCOc1ncccc1C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1C 6354836 CXSQWXTYDZEIIW-UHFFFAOYSA-N 403.504 3.216 0 40 HGAB COc1ccc(NC(=O)[C@H]2CC(=O)N(c3cc(Cl)ccc3OC)C2)c(OC)c1 7307301 SQSGOTIKBGRYKZ-LBPRGKRZSA-N 404.850 3.357 0 40 HGAB C[C@@H](NC(=O)CSc1nnc(NCc2ccco2)s1)c1ccc2c(c1)OCO2 9257429 HYQBYGHRBGLMOC-LLVKDONJSA-N 418.500 3.441 0 40 HGAB Cc1ccc(C)c(S(=O)(=O)CCN2CCC(n3c(=O)[nH]c4ccccc43)CC2)c1 9762710 WMNAYSZGYVYUEP-UHFFFAOYSA-N 413.543 3.057 0 40 HGAB CNS(=O)(=O)c1ccc(C(=O)Nc2ccc3nc(N4CCCC4)sc3c2)cc1 10579932 RERCNCRXMJCCJD-UHFFFAOYSA-N 416.528 3.057 0 40 HGAB COc1cc(OC)c(C2=CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c(OC)c1 10672567 ZQKKMOJBUBFVHF-UHFFFAOYSA-N 403.500 3.499 0 40 HGAB Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)c1ccc(NS(C)(=O)=O)cc1 11703437 NKLYIGYRBDQPHW-UHFFFAOYSA-N 412.515 3.133 0 40 HGAB O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)c1ccc(S(=O)(=O)NC2CC2)cc1 11918214 KACMSLLYNYHAPF-UHFFFAOYSA-N 414.483 3.421 0 40 HGAB CCc1nn(CC(=O)N[C@@H](C)c2ccc(OC)cc2)c(=O)c2cc3ccsc3n12 12114327 IZMXGJKGJSKVDW-ZDUSSCGKSA-N 410.499 3.159 0 40 HGAB O=C(CN1CCC[C@H](c2ncncc2-c2ccncc2)C1)Nc1ccc2c(c1)OCO2 12117165 LLFGEXBBKUIBIZ-KRWDZBQOSA-N 417.469 3.085 0 40 HGAB Cc1cc(=O)c(C(=O)N2CCN(C)C[C@H]2c2ccccc2)nn1-c1ccc(Cl)cc1 12757374 KAZXXHPNFFBHJF-FQEVSTJZSA-N 422.916 3.323 0 40 HGAB CCC[C@@H](C)NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 14155058 OTZGPAWWTLFEDM-OAHLLOKOSA-N 420.531 3.447 0 40 HGAB NC(=O)CCN(Cc1ccccc1)C(=O)/C=C/c1cc(Cl)c2c(c1)OCCO2 14197540 QZRYDSFQICHYEZ-VOTSOKGWSA-N 400.862 3.029 0 40 HGAB O=C(CCNC(=O)NCc1ccccc1)NCc1ccc(CN2CCCCC2)cc1 14198824 JSQDDUZHXUUDCS-UHFFFAOYSA-N 408.546 3.178 0 40 HGAB COc1ccccc1[C@@H]1N=C(NCc2ccc(Cl)cc2)Nc2nc(C)cc(=O)n21 14607530 BXYYXJHPMNVIAG-LJQANCHMSA-N 409.877 3.332 0 40 HGAB O=c1cc(CN2CCN(c3ccnc4cc(Cl)ccc34)CC2)nc2sccn12 15143766 PHKYCKOYBWQSOC-UHFFFAOYSA-N 411.918 3.280 0 40 HGAB Cc1cc(C)cc(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@]4(C(=O)Nc5ccc(C)cc54)[C@H]3C2=O)c1 15954591 QPVPQRVSCZMANI-SMTRIPRVSA-N 415.493 3.043 0 40 HGAB biogenic CN(CCOc1ccccc1Cl)C(=O)c1ccc(CN2C(=O)CCC2=O)cc1 16175659 OXBIKQYYDAICNC-UHFFFAOYSA-N 400.862 3.140 0 40 HGAB Cc1cc(CSc2ccccc2C(=O)OCC(=O)N2C[C@H](C)O[C@H](C)C2)on1 17778545 FNRSLVRTMOKYNH-GASCZTMLSA-N 404.488 3.068 0 40 HGAB CN(C)Cc1cc(-c2ccccc2F)nn1CCNC(=O)c1cc(C(C)(C)C)n[nH]1 19083717 GHTARBLEMXMHBB-UHFFFAOYSA-N 412.513 3.201 0 40 HGAB O=C(CCN1C(=O)NC2(CCCC2)C1=O)Nc1ncc(Cc2ccc(F)cc2)s1 19334842 MYYKXESLOPZFPZ-UHFFFAOYSA-N 416.478 3.066 0 40 HGAB CC(C)N1CCc2nc3cc(C4CCN(C(=O)C5CCCC5)CC4)nn3c(O)c2C1 19448129 DHORIGUTLKHWSS-UHFFFAOYSA-N 411.550 3.098 0 40 HGAB CCNC(=O)[C@@]1(Cc2ccccc2-c2cncnc2)CCCN(C(=O)C2CCC2)C1 19528444 NIATWUJFFODWMM-XMMPIXPASA-N 406.530 3.231 0 40 HGAB COc1ccc(C2=NO[C@](C)(C(=O)Nc3nc(-c4cnn(C)c4C)cs3)C2)cc1 19554286 CVTNTPJXOVNYLQ-FQEVSTJZSA-N 411.487 3.382 0 40 HGAB COc1ccc(CC(=O)N2CCC[C@H]([C@@H]3C[C@H](C(F)F)n4ncnc4N3)C2)cc1C 19571095 GIEYYBJFVYOXBL-YESZJQIVSA-N 419.476 3.067 0 40 HGAB COc1ccc2c(c1)[C@H](CCNC(=O)C1(c3cccc(C)c3)CCOCC1)C(=O)N2 19662244 ZUXAGMKMUXKJFQ-IBGZPJMESA-N 408.498 3.294 0 40 HGAB COc1ccc(-c2cnc(N(C)C)nc2[C@H]2CCN(Cc3cn(C)nc3C)C2)cc1 19694777 LFOORQZQAGFKQA-SFHVURJKSA-N 406.534 3.250 0 40 HGAB COCCC(=O)N1CCCC[C@@H]1c1ncc(C(=O)Nc2ccccc2OC)c(C)n1 19755663 FDIAPMWOYIUZHJ-GOSISDBHSA-N 412.490 3.136 0 40 HGAB CCOc1cc2c(cc1NS(=O)(=O)c1ccc(N3CCCC3=O)cc1)O[C@@H](C)C2 21900850 JIVCQFICONQERS-AWEZNQCLSA-N 416.499 3.336 0 40 HGAB CCN(c1cc(OC)c(OC)cc1C(=O)Nc1ccc(C)c(C)c1)S(C)(=O)=O 22251882 PJGSLOCLGHSBAU-UHFFFAOYSA-N 406.504 3.359 0 40 HGAB Cc1nc2ccccn2c1CN1CCN(C[C@@H](O)COc2ccccc2C(C)C)CC1 22878607 BYVKVYIWOIKPPS-OAQYLSRUSA-N 422.573 3.324 0 40 HGAB Cc1cccc(-c2nnc(S)n2CCC(=O)Nc2nc3c(s2)CN(C)CC3)c1 23608790 XHMREYMOHOZEEA-UHFFFAOYSA-N 414.560 3.015 0 40 HGAB Cc1nn(CC(C)C)c(Cl)c1C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 23804825 JIOUNKLMUCXSOR-UHFFFAOYSA-N 418.925 3.188 0 40 HGAB COc1ccc(C(=O)Nc2nnc(S(=O)(=O)Cc3cccc(C)c3)s2)cc1 27664578 ASVDJTMWVPSEQT-UHFFFAOYSA-N 403.485 3.081 0 40 HGAB CCn1c(SCC(=O)Nc2ccc(OC)cc2OC)nc2ccsc2c1=O 27820162 JDANNIJYHCLZQO-UHFFFAOYSA-N 405.501 3.226 0 40 HGAB CN1CCN(C(=O)C2CCN(C(=O)Nc3ccccc3)CC2)[C@H](c2ccccc2)C1 30029431 MCYJHNHZJONTJI-QFIPXVFZSA-N 406.530 3.446 0 40 HGAB CN(CC(=O)Nc1ccccc1Cl)C(=O)CNc1ccc2c(c1)OC(F)(F)O2 30504199 AEFMBJWGKQOAKZ-UHFFFAOYSA-N 411.792 3.171 0 40 HGAB CC(C)(CCN1CCN(C(=O)[C@H]2CS[C@@H](c3cccnc3)N2)CC1)c1ccccc1 31418067 HEXKEOJEDCYAPX-YADHBBJMSA-N 424.614 3.297 0 40 HGAB O=C(CCCSc1nc2ccccc2[nH]1)N1CCN(C(=O)c2cccs2)CC1 32716902 LJGJBNWLSSBPRK-UHFFFAOYSA-N 414.556 3.481 0 40 HGAB COc1cc(NC(=O)c2cc(Br)ccc2F)ccc1NS(C)(=O)=O 32818601 PNOCQWQKBNSWBR-UHFFFAOYSA-N 417.256 3.221 0 40 HGAB CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@H]2c2ccc(OCC)cc2)c1 32820994 WURJBCBDVQYCJM-FQEVSTJZSA-N 402.516 3.361 0 40 HGAB Cc1cc(Br)ccc1NC(=O)CNC(=O)[C@H]1CC(c2ccccc2)=NO1 32912152 NNIRCCRISARTLW-QGZVFWFLSA-N 416.275 3.005 0 40 HGAB O=C(NC[C@H](O)COc1cccc(F)c1)c1cc(-c2ccco2)nn1-c1ccccc1 32933084 ZRZDFZACOHCSCP-SFHVURJKSA-N 421.428 3.441 0 40 HGAB O=C(NCc1cccc(F)c1)Nc1snnc1C(=O)NCc1cccc(F)c1 33436168 JZRKECVHEFWSIY-UHFFFAOYSA-N 403.414 3.068 0 40 HGAB COC(=O)C[C@@H](NC(=O)c1cnn2c(-c3ccccc3)ccnc12)c1ccccc1 40144793 PBVBAOYKQXAIIY-LJQANCHMSA-N 400.438 3.431 0 40 HGAB C[C@]1(c2cccc(NC(=O)c3cc(C4CC4)nc4ccccc34)c2)NC(=O)NC1=O 47383951 YAVYJKFEEDYAKB-HSZRJFAPSA-N 400.438 3.419 0 40 HGAB COc1ccc(Cl)cc1NCCC(=O)N(C)Cc1nc2ccccc2c(=O)[nH]1 48312482 CULOYWOYGWYWDR-UHFFFAOYSA-N 400.866 3.046 0 40 HGAB Cc1cc(C)c(NC(=O)Cn2cnc3c(-c4ccncc4)nsc3c2=O)c(C)c1 49401702 PMEVBASLCKHFBX-UHFFFAOYSA-N 405.483 3.479 0 40 HGAB O=S(=O)(NC[C@@H](c1ccco1)N1CCN(c2ccccc2)CC1)c1ccccc1 56946292 XNZDXSIBMWMRSY-NRFANRHFSA-N 411.527 3.121 0 40 HGAB CCC[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)N[C@@H](C)CN1CCC[C@H](C)C1 58316740 YIIGAGAETZOJJK-ZWOKBUDYSA-N 406.546 3.030 0 40 HGAB Cc1[nH]c2ccccc2c1CCNC(=O)CNC(=O)c1cccc(Br)c1 58406936 JFWVYXIDVPDZGY-UHFFFAOYSA-N 414.303 3.328 0 40 HGAB C[C@H]1CN(C(=O)c2ccc(CNC(=O)NCCc3cccs3)cc2)C[C@H](C)O1 69950627 XZTLFXHTLCJLLC-HOTGVXAUSA-N 401.532 3.039 0 40 HGAB CC(=O)N1CCN(c2ncc(-c3ccc4c(c3)OCO4)c(-c3cccs3)n2)CC1 72339757 HFCQDBFXGYCCQT-UHFFFAOYSA-N 408.483 3.269 0 40 HGAB COCCN1CCN(c2ncc(-c3ccsc3)c(-c3nc(C)cs3)n2)CC1 72396929 FPSNWFIJLRTPIL-UHFFFAOYSA-N 401.561 3.405 0 40 HGAB COc1cccc(CNC(=O)NC2(c3nc(-c4cnccn4)no3)CCCCC2)c1 77197523 BVBASNBREMKKCE-UHFFFAOYSA-N 408.462 3.194 0 40 HGAB CC(C)[C@@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Br)C(=O)N(C)C 78413841 QQRVUKUXQDXDAS-QMTHXVAHSA-N 405.720 3.099 0 40 HGAB C[C@@H](NC(=O)N1CCN(Cc2ccccc2)CC1)C(=O)Nc1ccc2cc[nH]c2c1 95477485 AMLHYRIRWRPIKV-QGZVFWFLSA-N 405.502 3.022 0 40 HGAB Cc1[nH]c2ccc(OC(F)(F)Cl)cc2c1CCNC(=O)CSc1cn[nH]n1 95482041 CSTHAQCGIHDGJA-UHFFFAOYSA-N 415.853 3.213 0 40 HGAB CCOC(=O)[C@]12CCCN(Cc3nccs3)C[C@H]1CN(Cc1cccc(C)n1)C2 96056078 AMOZKYVHUSCAMB-AVRDEDQJSA-N 414.575 3.124 0 40 HGAB CC(=O)c1ccccc1OC(=O)c1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 101221316 NJKUNJQRZBVEBO-SNHGZMDHSA-N 401.418 3.420 0 40 HGAB Cc1ccc(-n2nc3c4cc(C(=O)NC[C@@H]5CCCO5)ccc4[nH]cc-3c2=O)cc1C 101282103 OMHGGDFDERERHY-SFHVURJKSA-N 416.481 3.344 0 40 HGAB COc1cc([C@@H](C)NC(=O)CN2C(=O)[C@H]3CCCC[C@H]3C2=O)ccc1OCC(C)C 102800801 NGZPIZPCNJLJRB-NXHRZFHOSA-N 416.518 3.082 0 40 HGAB CN(CCCC(=O)NCCSCc1ccccc1)S(=O)(=O)c1ccccc1 219710707 ITTAFOCPAHDVTJ-UHFFFAOYSA-N 406.573 3.137 0 40 HGAB CC[C@H](C(=O)N[C@@H](C)c1ccc(OC)cc1)N(c1cccc(C)c1)S(C)(=O)=O 220521363 ZRYDFZGIKSDNAA-OXJNMPFZSA-N 404.532 3.426 0 40 HGAB COC(=O)c1ccc(C)c(NC(=O)CCCN(c2ccccc2C)S(C)(=O)=O)c1 222553834 ZKQLZMDAQXGUSS-UHFFFAOYSA-N 418.515 3.275 0 40 HGAB Cc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN(C)C)nc1 223215223 OLTHXGWYXSOHGT-YADHBBJMSA-N 420.586 3.500 0 40 HGAB COc1ccccc1[C@@H](C)NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1 223287879 ODXDLCRXNHGVFH-CQSZACIVSA-N 400.500 3.034 0 40 HGAB CS(=O)(=O)N(CC(=O)NCCc1ccc(Cl)cc1)c1ccccc1Cl 223634053 SYVPYRGZZWFBFD-UHFFFAOYSA-N 401.315 3.118 0 40 HGAB COc1ccc(CNS(=O)(=O)c2ccc(SC)c(NC(=O)C(C)C)c2)cc1 224362842 QPDWTTJKCKXULJ-UHFFFAOYSA-N 408.545 3.490 0 40 HGAB COc1ccc(CCC(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2OC)cc1 225315672 QSBOIKGDXLSPNE-UHFFFAOYSA-N 418.515 3.060 0 40 HGAB COC(=O)c1cccc(NC(=S)NCc2ccccc2CN2CCOCC2)c1C 225778143 JANFVALVUIDKBK-UHFFFAOYSA-N 413.543 3.100 0 40 HGAB COc1cccc(-c2noc(CCC(=O)N3CCN(c4ccccc4OC)CC3)n2)c1 225824769 IWUZHGPWEZFIFW-UHFFFAOYSA-N 422.485 3.035 0 40 HGAB O=S(=O)(NC[C@@](O)(c1ccoc1)c1cccs1)c1ccc(F)c(Cl)c1 240067758 SAPXTEUYVLAMEA-MRXNPFEDSA-N 401.868 3.348 0 40 HGAB C[C@H](CCC(=O)O)[C@@H]1CC[C@@H]2[C@H]3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@@H]3C[C@@H](O)[C@@]12C 253609806 NKRVAQNWPRPQDK-IMLZRIPESA-N 406.563 3.369 0 40 HGAB O=C(NS(=O)(=O)c1ccc(Br)cc1)c1cccc(N2CCCC2)c1 257250872 JOJODZUFLVSDBR-UHFFFAOYSA-N 409.305 3.168 0 40 HGAB COc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)N3CCC[C@H](C)C3)cc2)cc1 260565704 SKWXWYIYFSYXJH-KRWDZBQOSA-N 416.543 3.388 0 40 HGAB COc1cccc(-n2nccc2-c2nc(C(=O)NC3CCCC3)c3cnccn23)c1 306138308 RUSHJLGXWDXUOP-UHFFFAOYSA-N 402.458 3.263 0 40 HGAB Cc1ccc(-c2c(C)nn3c(O)cc(CC(=O)NCCOc4ccccc4)nc23)cc1 306144606 ZKBVIAFNULSDRE-UHFFFAOYSA-N 416.481 3.456 0 40 HGAB COc1c(F)c(F)c(C(=O)NC(=S)Nc2ccc(C(=O)O)cc2)c(F)c1F 408628389 SGJISNXVANCMBZ-UHFFFAOYSA-N 402.325 3.077 0 40 HGAB CCOc1ccccc1N1C[C@H](C(=O)O[C@H](C)C(=O)c2ccc(OC)cc2)CC1=O 408656454 SKROXGRWQFKSKZ-NVXWUHKLSA-N 411.454 3.261 0 40 HGAB CCOCCCNC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccccc1 409117247 QRKFACWBCYVILA-UHFFFAOYSA-N 404.532 3.042 0 40 HGAB CCOc1c(Br)cc(C(=O)N2CC[C@@H](Cc3cnn(C)c3)C2)cc1OC 530832788 KGTPCANTDHLHJS-ZDUSSCGKSA-N 422.323 3.295 0 40 HGAB CC(C)C[C@@H]1NC(=O)C2(CCCCOC[C@@H](C)NC1=O)CCN(C1CCCC1)CC2 643575974 ARKGJSDCINTPNL-CTNGQTDRSA-N 421.626 3.247 0 40 HGAB Cc1cc(=O)n(C2CCCC2)c2nc(N3CCC(COc4cnccn4)CC3)ncc12 1889202463 SGNCPSKOHCNHCB-UHFFFAOYSA-N 420.517 3.300 0 40 HGAB Cc1c(Cc2ccccc2)c(=O)oc2c(C)c(OCC(=O)NCCCC(=O)O)ccc12 2100798 UOYRCTDQBSFTNI-UHFFFAOYSA-N 423.465 3.360 0 40 HGAB biogenic CCn1nc(CC(=O)c2ccc(Br)cc2)c(=O)n2c3ccccc3nc12 2306291 YZPSJBIPLZXIFF-UHFFFAOYSA-N 411.259 3.252 0 40 HGAB O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)s1)Nc1ccc(F)cc1F 3318174 AKWPTOXPAFHFFI-UHFFFAOYSA-N 400.472 3.382 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccccc3)o2)cc1 3412911 IOLMAAMXBHQYGP-UHFFFAOYSA-N 400.460 3.019 0 40 HGAB CCCc1cc(=O)[nH]c2nnc(SCC(=O)Nc3ccc(Cl)c(Cl)c3)n12 4250316 CHFKQNDKDPQCFY-UHFFFAOYSA-N 412.302 3.408 0 40 HGAB Cn1c(=O)c2c(SCc3ccccc3)nc(-c3cccc(F)c3)nc2n(C)c1=O 4341386 WBHHTDGTCQPEPZ-UHFFFAOYSA-N 408.458 3.126 0 40 HGAB CCCCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2OC)C1 4813857 QWNKXLDXEBUZOB-AWEZNQCLSA-N 402.944 3.056 0 40 HGAB COc1cccc(/C=C/C(=O)Nc2ccc(N3CCOCC3)cc2N2CCOCC2)c1 4896510 WLYWVEVMVJLHQF-VMPITWQZSA-N 423.513 3.020 0 40 HGAB COc1cccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccc(O)cc4)[C@H]3C2=O)c1 5023865 BQIMYQISQAQYDN-VSKRKVRLSA-N 416.433 3.452 0 40 HGAB COc1ccc(N2C[C@@H](NC(=O)Nc3cccc(Br)c3)CC2=O)cc1 5191170 LNSLZKAKOPTWOT-AWEZNQCLSA-N 404.264 3.385 0 40 HGAB COCCCn1c(C(=O)NCCC2=CCCCC2)cc2c(=O)n3ccccc3nc21 5270597 YRJLLUXUZVZGDB-UHFFFAOYSA-N 408.502 3.306 0 40 HGAB CC(=O)N1CCN(c2ccc(NC(=O)c3c(F)c(F)c(F)c(F)c3F)cc2)CC1 6295944 ARKLIQNWQACOEH-UHFFFAOYSA-N 413.346 3.303 0 40 HGAB C[C@@H]1CCCN(S(=O)(=O)c2csc(C(=O)Nc3ccccc3C(=O)O)c2)C1 6680888 KNYREEMYMRLZMR-GFCCVEGCSA-N 408.501 3.119 0 40 HGAB Cc1ccc(-c2nc(N)sc2CC(=O)OCC(=O)NCc2cccs2)cc1 6831748 VAMWRFSEVGGKKA-UHFFFAOYSA-N 401.513 3.164 0 40 HGAB CS(=O)(=O)N(CCc1ccccc1)CC(=O)Nc1cc(Cl)cc(Cl)c1 8169473 CWFWXPVEQPRVAA-UHFFFAOYSA-N 401.315 3.436 0 40 HGAB O=C(COC(=O)c1cccc(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)c1)Nc1ccccc1 8410745 MOKZCCAMBDHLCI-RTBURBONSA-N 406.438 3.162 0 40 HGAB O=C(C[C@@H]1OCCN(Cc2ccccc2)C1=O)Nc1cccc(OC(F)(F)F)c1 8570032 KNNQAIMEHILCCM-KRWDZBQOSA-N 408.376 3.341 0 40 HGAB CC(=O)Nc1nc(CSc2nc3ccccc3c(=O)n2C[C@@H]2CCCO2)cs1 8708483 TYCNYHUWOWAYNG-AWEZNQCLSA-N 416.528 3.283 0 40 HGAB Cc1ccc(NC(=O)c2cccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)c2)c(C)c1 8852964 GBXLLDBUIIUJSE-IAGOWNOFSA-N 402.516 3.354 0 40 HGAB Cc1ccc(-n2nnnc2SCC(=O)N2c3ccccc3NC(=O)C2(C)C)c(C)c1 9124858 CTTGZWPZOJDSON-UHFFFAOYSA-N 422.514 3.135 0 40 HGAB CCCS(=O)(=O)c1nnc(NC(=O)C(c2ccccc2)c2ccccc2)s1 9418633 JAVRUQLATINMLT-UHFFFAOYSA-N 401.513 3.492 0 40 HGAB O=C(Cn1nnc(-c2cccc(F)c2)n1)N1CCC(c2nc3ccccc3s2)CC1 9516401 BVEPXUQSRMWVTB-UHFFFAOYSA-N 422.489 3.495 0 40 HGAB Cc1ccc(C)c(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(Br)cc2)c1 10041136 ATUVSECZTRHNAH-CYBMUJFWSA-N 411.321 3.371 0 40 HGAB CCN(CC)C(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1 10692225 LYWKFLHYTBPZJM-UHFFFAOYSA-N 407.363 3.404 0 40 HGAB C[C@H](OC(=O)c1nn(-c2ccc(F)cc2)c2c1CCCC2)C(=O)NCC(F)(F)F 10886477 FZRKONBHLMPMCY-NSHDSACASA-N 413.371 3.114 0 40 HGAB Cc1nn(CC(=O)N2CCC[C@@H](n3nnc4cc(C(F)(F)F)ccc43)C2)c(C)c1C 12184946 CZYOIXCNPRJZIR-MRXNPFEDSA-N 420.439 3.436 0 40 HGAB CC(C)c1ccc(-c2nnn(CC(=O)N[C@@H](C)c3ccc4c(c3)OCCO4)n2)cc1 12747386 MDQCEMYLLQEUFY-HNNXBMFYSA-N 407.474 3.112 0 40 HGAB COC(=O)c1sc(NC(=O)CN(C)[C@H](C)c2cccs2)c(C(=O)OC)c1C 12818558 YUFDNUMGAFTMKM-LLVKDONJSA-N 410.517 3.323 0 40 HGAB O=C(c1ccccc1)N1CCc2cc(S(=O)(=O)NCCc3ccccc3)ccc21 12867027 IUCDJVOFDHVQDC-UHFFFAOYSA-N 406.507 3.411 0 40 HGAB C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N(C)Cc1ccc(Br)cc1 12994821 OTYMULXFKMQSNV-LLVKDONJSA-N 403.280 3.078 0 40 HGAB C[C@H]1CN(CC(=O)N(Cc2cccs2)c2ccc3c(c2)OCCO3)C[C@@H](C)O1 13028182 UJIBORIKVRHWDU-IYBDPMFKSA-N 402.516 3.162 0 40 HGAB Cc1cc(S(=O)(=O)Nc2ccccc2F)c(C)n1S(=O)(=O)c1ccccc1 13585913 YWZSQQVCFYWCMF-UHFFFAOYSA-N 408.476 3.282 0 40 HGAB O=C(c1ccn(COc2ccc(Cl)cc2Cl)n1)N1N=CC[C@]1(O)C(F)(F)F 17093436 HFVRXASQUPSUGQ-AWEZNQCLSA-N 423.178 3.309 0 40 HGAB CC(C)(C)C(=O)N1CCO[C@](Cc2cccc(-c3cccnc3)c2)(C(=O)NC2CC2)C1 19081481 ACABRAXTCKZDEY-VWLOTQADSA-N 421.541 3.213 0 40 HGAB COc1cccc(CC(=O)N2CC[C@@H](C(=O)c3cnn(-c4ccc(C)cc4)c3N)C2)c1 19213272 QSYZRZUSAVHREE-GOSISDBHSA-N 418.497 3.045 0 40 HGAB COc1ccccc1-c1ccccc1C[C@@H]1CN(Cc2cnc(C)nc2)CCNC1=O 19287238 JFZXEWJAGVNRSL-OAQYLSRUSA-N 416.525 3.251 0 40 HGAB Cc1cc(C)n(CCCC(=O)N[C@H]2C[C@@]3(CCC(=O)N(C)CC3)Oc3ccccc32)n1 19574170 LBHRSAMTNGUQFC-RDPSFJRHSA-N 424.545 3.301 0 40 HGAB COCCNc1nc(-c2ccccn2)nc2c1CCN(Cc1ccc(OC)cc1)C2 19593591 AHDFFPISSBEAQC-UHFFFAOYSA-N 405.502 3.164 0 40 HGAB CC(=O)N[C@H]1C[C@@H](CCNC(=O)c2scnc2C)O[C@@H](c2ccccc2F)C1 19712419 PFBLOSJDHXPTBZ-HDMKZQKVSA-N 405.495 3.136 0 40 HGAB COC(C)(C)C(=O)N1CCC[C@H]1c1nc(C)c2c(n1)N(Cc1ccccc1)C(=O)CC2 19742016 PCNBFRTZGRHXQQ-IBGZPJMESA-N 422.529 3.353 0 40 HGAB Nc1nc(CN2CCN(Cc3ccccc3)CC2)nc(Nc2ccc(Cl)cc2)n1 19944432 HLVRISRDJZRVIJ-UHFFFAOYSA-N 409.925 3.169 0 40 HGAB Cc1nnc(NC(=O)c2cc(C)c(C)c(S(=O)(=O)N3CCC(C)CC3)c2)s1 20005983 CMRSKFLALPAHIL-UHFFFAOYSA-N 408.549 3.136 0 40 HGAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccc(F)c(F)c2F)cc1C 20016359 QUJCFHWTGIZSPW-LLVKDONJSA-N 416.421 3.117 0 40 HGAB COc1ccccc1N1CCN([C@H](c2ccc(C)cc2)c2nnnn2C(C)C)CC1 20140437 HTDBSXZYBAPPEH-JOCHJYFZSA-N 406.534 3.483 0 40 HGAB COc1cc2c(cc1OC)CN(C(=O)CCc1c[nH]c3ccccc13)[C@@H](C(=O)O)C2 20426370 VYPZDXUVRGZVSW-LJQANCHMSA-N 408.454 3.156 0 40 HGAB biogenic Cc1nnc(SCC(=O)N2CCN(Cc3ccccc3)CC2)n1Cc1ccccc1 23866677 VIEZKVLLBYZRFU-UHFFFAOYSA-N 421.570 3.071 0 40 HGAB O=S(=O)(NCc1ccccc1CN1CCOCC1)c1ccc(C(F)(F)F)cc1 24193333 NXXAGLKVOBJIQL-UHFFFAOYSA-N 414.449 3.016 0 40 HGAB COc1ccc(-c2nnn(C[C@@H](O)COc3ccc(C(C)(C)C)cc3)n2)cc1OC 24762985 KBBHPBYPQAKHFD-QGZVFWFLSA-N 412.490 3.095 0 40 HGAB COc1ccc(CCNC(=O)[C@@H]2CC(=O)N([C@@H]3CCC[C@@H](C)[C@@H]3C)C2)cc1OC 25424146 QJGDYQIUFXYBLW-UKBAYJJMSA-N 402.535 3.036 0 40 HGAB CCOc1ccccc1NC(=O)COc1ccc(S(=O)(=O)N(CC)CC)cc1C 28207714 KPOWLHPNQQZZSC-UHFFFAOYSA-N 420.531 3.442 0 40 HGAB Cc1ccc(C(=O)NCCOc2ccc(F)cc2)cc1S(=O)(=O)N1CCCCC1 29293952 MOBSYMQALZYPRM-UHFFFAOYSA-N 420.506 3.118 0 40 HGAB C[C@H](Oc1ccc(F)cc1Br)C(=O)NCCc1cn2ccccc2n1 32924278 JBGUISCNWJHTKM-LBPRGKRZSA-N 406.255 3.362 0 40 HGAB O=C(COc1ccccc1-c1noc(/C=C/c2ccc(F)cc2)n1)N1CCOCC1 33325137 WORCHARJFLJDIE-JXMROGBWSA-N 409.417 3.284 0 40 HGAB Cc1cc(SCC(=O)NN2C(=O)N[C@](C)(c3ccccc3)C2=O)nc2ccccc12 33685082 FUNWTEASRKLZCZ-JOCHJYFZSA-N 420.494 3.134 0 40 HGAB COc1ccc([C@@H]2CC(=O)Nc3c(-c4ccccc4)nsc32)cc1OCC(N)=O 35316397 SCJNSGRTKFWQNG-AWEZNQCLSA-N 409.467 3.157 0 40 HGAB NC(=O)[C@@H]1Cc2ccccc2CN1Cc1nc2scc(-c3ccccc3)c2c(=O)[nH]1 35361626 YQKUUOGGQWIOJJ-SFHVURJKSA-N 416.506 3.064 0 40 HGAB CCOc1cc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c(OCC)cc1C 36636404 UIQCDVVHAQDMEJ-UHFFFAOYSA-N 418.559 3.299 0 40 HGAB Cc1ccccc1CS(=O)(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 38755303 SCPASCUKGBZCPQ-UHFFFAOYSA-N 417.512 3.133 0 40 HGAB C[C@@H](NC(=O)CSc1nc(CN2CCOCC2)nc2ccccc12)c1ccccc1 40024543 LNBUAJXDYRCGOQ-QGZVFWFLSA-N 422.554 3.432 0 40 HGAB CC[C@H](NC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc(C)cc1 40096638 NKTFORJXTHGZKA-FQEVSTJZSA-N 417.531 3.289 0 40 HGAB COc1cc(C(=O)NCCC(=O)N2CCCc3ccccc32)ccc1OC(F)F 40122520 UKEREOCXNJKPRS-UHFFFAOYSA-N 404.413 3.396 0 40 HGAB COc1ccc(CNC(=O)c2cc3cc(N(C)S(C)(=O)=O)ccc3s2)cc1 46057978 GNMDTSPFEFPPGF-UHFFFAOYSA-N 404.513 3.236 0 40 HGAB COC(=O)C[C@H]1CCCCN1C(=O)CCCN1C(=O)c2cccc3cccc(c23)C1=O 48231978 LJRDZXHHQAHPML-QGZVFWFLSA-N 422.481 3.160 0 40 HGAB O=S(=O)(/N=C(\O)[C@H]1CCCN(c2ccc(Cl)nn2)C1)c1cccc(Cl)c1 48496090 SCHKWILGIOVVOI-NSHDSACASA-N 415.302 3.345 0 40 HGAB O=C(NCCC(=O)N1CCCN(Cc2ccc(Cl)cc2)CC1)c1ccc(F)cc1 53028579 KVFKQWSFPIEGRE-UHFFFAOYSA-N 417.912 3.334 0 40 HGAB Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)[C@@H]1CCCN1C(=O)c1ccco1 57464404 WMNIKOVQDGURTG-FQEVSTJZSA-N 406.486 3.345 0 40 HGAB Cc1cc(/C=C/C(=O)N2CCN(CC(=O)Nc3cccc(F)c3)CC2)c(C)n1C1CC1 58171341 GLIMRNQJSYBMCC-RMKNXTFCSA-N 424.520 3.375 0 40 HGAB COc1ccc(NC(=O)[C@H](c2ccccc2)N2CCN(C)CC2)cc1OC(F)F 58379498 CUIPMWQSNIEKKK-IBGZPJMESA-N 405.445 3.224 0 40 HGAB COc1ccc(NC(=O)[C@H]2CCCN2C(=O)Nc2cccc(N3CCOC3=O)c2)cc1 58440168 AMGRVPZGCOZUGB-LJQANCHMSA-N 424.457 3.287 0 40 HGAB O=S(=O)(CC1CCCCC1)NC[C@H](c1ccccc1Cl)N1CCOCC1 72230502 IDIHLTXNBNEHBE-LJQANCHMSA-N 400.972 3.213 0 40 HGAB COc1ccccc1-c1noc(C2CCN(S(=O)(=O)c3ccccc3F)CC2)n1 80344611 KDGIFLGYRYNHJY-UHFFFAOYSA-N 417.462 3.453 0 40 HGAB COc1csc(C(=O)N2CCOC[C@@H]2c2c(C)nn(CC(F)(F)F)c2C)c1 96002561 SZHKHTPXEQZUNZ-CYBMUJFWSA-N 403.426 3.346 0 40 HGAB Cc1cnc(CNC(=O)[C@H]2C[C@]3(CO2)CN(Cc2ccccc2)c2ccccc23)cn1 96262839 OYCDJBDMXLNDEP-ILBGXUMGSA-N 414.509 3.148 0 40 HGAB CC(C)(C)C(=O)/C=c1\s/c(=C/c2cccc(F)c2)c(=O)n1Cc1cccc(F)c1 96794379 VDUYUEQBSCZWAD-VVPWPQJISA-N 413.489 3.461 0 40 HGAB Cc1cccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4CCCC[C@H]4C3=O)c2)c1 136286915 XKURAZZZJTUTJJ-BGYRXZFFSA-N 420.465 3.470 0 40 HGAB CCOC(=O)c1cccc(NC(=O)[C@H](CC)N(c2cccc(C)c2)S(C)(=O)=O)c1 220518306 SLARTLWOCKXAOZ-IBGZPJMESA-N 418.515 3.355 0 40 HGAB COc1ccc(CNC(=O)c2cccc(N(C)S(=O)(=O)c3ccccc3)c2)cc1 222530134 WHZXLJKTFPTYCJ-UHFFFAOYSA-N 410.495 3.450 0 40 HGAB COc1ccc(CCCNC(=O)CCCN(c2ccccc2C)S(C)(=O)=O)cc1 222559378 GOJYRNSSXWASFP-UHFFFAOYSA-N 418.559 3.299 0 40 HGAB CCn1c(=O)sc2cc(S(=O)(=O)N[C@@H](C)COc3ccc(C)cc3)ccc21 225696783 FAHFHOWJQQJSMH-AWEZNQCLSA-N 406.529 3.137 0 40 HGAB COCCCNC(=O)c1ccccc1NC(=O)COc1cccc(C(F)(F)F)c1 225812744 IYNSDOFBBLPREW-UHFFFAOYSA-N 410.392 3.489 0 40 HGAB COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)Nc1ccccc1OC(C)C 225874837 NQCZKTLUNWNWBI-UHFFFAOYSA-N 420.531 3.304 0 40 HGAB CNc1cc(C(=O)N2CCO[C@H](c3cccc(-c4ccc(OC)cc4)n3)C2)ccn1 257203529 AQLWCYFDQVCHDD-NRFANRHFSA-N 404.470 3.408 0 40 HGAB CCn1c(CN2CCO[C@@H](c3cccc(-c4cnn(C)c4)n3)C2)nc2ccccc21 257276114 NSKMRGLGBKJOMM-JOCHJYFZSA-N 402.502 3.425 0 40 HGAB Cc1ccc(C)c(N([C@H](C)C(=O)N[C@H](C)COc2ccccc2C)S(C)(=O)=O)c1 260455509 ZRBZUYXCKUMQSX-RTBURBONSA-N 418.559 3.350 0 40 HGAB Cc1ccc(S(=O)(=O)N(C)c2cc(C(=O)NC[C@H]3CCCO3)ccc2C)cc1 260561294 BMFPKWOXDYSYRH-GOSISDBHSA-N 402.516 3.037 0 40 HGAB CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N[C@H](C)c1ccc(C)cc1 260836875 AVQMDRPRMSFXJW-OXQOHEQNSA-N 404.532 3.426 0 40 HGAB O=C(C1CCOCC1)N1Cc2ccccc2[C@H](c2nccn2Cc2cccnc2)C1 306142299 WVQIYSBPJCFTIC-JOCHJYFZSA-N 402.498 3.227 0 40 HGAB COc1ccc([C@H]2[C@@H](NC(=O)c3ccccc3)C(=O)N/[N+]2=C\c2ccccc2C)cc1 409061006 BJKVTOLIPYXWHE-AYHYUOJHSA-O 414.485 3.020 0 40 HGAB O=C(CNC(=O)c1c[nH]nc1-c1ccc(Cl)cc1)N[C@@H]1CCOc2ccccc21 506196679 NWEBSXBAHHAQDD-QGZVFWFLSA-N 410.861 3.100 0 40 HGAB Cc1ccc(F)cc1NC(=O)[C@@H](C)N1CCCN(Cc2nccn2C(C)C)CC1 533413712 QDTGNYUAYYNGTO-GOSISDBHSA-N 401.530 3.446 0 40 HGAB Cc1cc(Br)cn2cc(CNC(=O)c3cc(-c4ccoc4)[nH]n3)nc12 546819274 ROWNPYLEHROVKI-UHFFFAOYSA-N 400.236 3.318 0 40 HGAB COCCOCC(=O)N[C@@H]1c2ccccc2[C@@H]2CN(Cc3cc(F)ccc3F)C[C@H]12 585109579 BVQYSMZDCYZJRA-SXWKCWPCSA-N 416.468 3.014 0 40 HGAB O=S(=O)(NCCn1nc(C2CC2)cc1C1CC1)c1ccc(Br)cc1 585300390 YDYINTZIBIFGCG-UHFFFAOYSA-N 410.337 3.379 0 40 HGAB COc1ccc([C@@H]2C3=C(CN(C(C)=O)C3=O)Nc3cccc4c3c2cn4C)cc1O 604405036 UQIQPBYGDIYPCY-FQEVSTJZSA-N 403.438 3.093 0 40 HGAB biogenic Cc1ccc(-c2nn(-c3ccccc3)cc2CN(C)Cc2nc(N)nc(N)n2)cc1C 679923619 XTQPKDJIRKRNGX-UHFFFAOYSA-N 414.517 3.138 0 40 HGAB COc1ccccc1N1CCN(C(=O)CSc2nnc(-c3ccc(C)cc3)o2)CC1 1328660 AMIGWILPPCOMDU-UHFFFAOYSA-N 424.526 3.495 0 40 HGAB CCCN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@@H]2c2ccc(OC)cc2)C1=O 2148643 UMLYWLJKLSABKR-REWPJTCUSA-N 403.482 3.271 0 40 HGAB biogenic Cc1nn(-c2ccccc2)c2c1cc1c(=O)[nH]c(=O)nc-1n2-c1cccc(Cl)c1 2257581 MGXWFGNNQYOTOU-UHFFFAOYSA-N 403.829 3.326 0 40 HGAB CCOC(=O)c1ccc(Oc2c(C)oc3cc(OS(C)(=O)=O)ccc3c2=O)cc1 2435064 CSQPQYMEFQHEIF-UHFFFAOYSA-N 418.423 3.409 0 40 HGAB biogenic Cc1cccc(C(=O)NCC(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)c1 2628079 AQBQIQUZHNQCDP-UHFFFAOYSA-N 403.486 3.348 0 40 HGAB O=C(CSc1nc2ccccc2c2nc(-c3ccccc3)nn12)NC[C@@H]1CCCO1 2969031 PGWNKTUUBAFZPK-INIZCTEOSA-N 419.510 3.332 0 40 HGAB Cc1c(NC(=O)CSc2ncnc3ccccc23)c(=O)n(-c2ccccc2)n1C 3245845 IPLLSMIWRDJTAH-UHFFFAOYSA-N 405.483 3.158 0 40 HGAB Cn1c(=O)c2c(SCc3ccccc3F)nc(-c3cccs3)nc2n(C)c1=O 4139192 BLGRHZVUGCFICB-UHFFFAOYSA-N 414.487 3.187 0 40 HGAB C[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 4166107 DHMQQUVGZPYAOA-KUHUBIRLSA-N 404.919 3.471 0 40 HGAB CC(=O)Nc1sc(C)c(C)c1C(=O)O[C@@H](C)C(=O)N1CCc2ccccc2C1 4550012 APSOYTMYCALJPH-ZDUSSCGKSA-N 400.500 3.454 0 40 HGAB C[C@H](NC(=O)/C(=C\c1ccco1)NC(=O)c1ccccc1)C(=O)OCc1ccccc1 4843987 PUPSRUOIBCGTJO-LBSLPOPVSA-N 418.449 3.299 0 40 HGAB Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(N3CCCCC3)cc2)cc1 4902318 UDSKICZQJJABRJ-UHFFFAOYSA-N 401.532 3.245 0 40 HGAB COCCCn1c(C(=O)NCc2ccc(C)cc2)cc2c(=O)n3cccc(C)c3nc21 5324930 YONBCAAJHBBSIW-UHFFFAOYSA-N 418.497 3.233 0 40 HGAB CCc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(Br)cc2)cc1 5877576 FJRUUVMJXCOQEQ-UHFFFAOYSA-N 411.321 3.271 0 40 HGAB CN(CC(=O)Nc1ccc(Cl)cc1)C(=O)CNC(=O)c1ccc(C(C)(C)C)cc1 6541256 IUEFNLLBZMZVPD-UHFFFAOYSA-N 415.921 3.464 0 40 HGAB CCCCc1cc(=O)oc2c(C)c3c(cc12)CN(CCCN1CCOCC1)CO3 6756298 IOHPADALJNLUKY-UHFFFAOYSA-N 400.519 3.318 0 40 HGAB CC(=O)c1c(C)[nH]c(C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)c1C 6935076 ZFIUPEAHLVNVCA-UHFFFAOYSA-N 403.504 3.261 0 40 HGAB COc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 7599948 OEOIOQDDVUUGLZ-UHFFFAOYSA-N 408.907 3.388 0 40 HGAB CCN(CC(=O)Nc1ccccc1C(F)(F)F)Cc1cc(=O)n2cc(C)ccc2n1 7907579 XUHAPUHZLVATAN-UHFFFAOYSA-N 418.419 3.482 0 40 HGAB C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)c2ccc(-n3cccc3)cc2)C1=O 8132107 JBMHOYBNPHMEIM-QHCPKHFHSA-N 402.454 3.065 0 40 HGAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1oc2c(F)cccc2c1C 8210634 IKZVAGJGNUGARI-UHFFFAOYSA-N 406.435 3.392 0 40 HGAB Fc1cccc(-n2c(SCc3cn4ccccc4n3)nnc2N2CCOCC2)c1 9217594 PEBLDEDNRWSHQT-UHFFFAOYSA-N 410.478 3.183 0 40 HGAB O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1C[C@@H]1COc2ccccc2O1 9494104 CBAVUZZQKPCFTI-LJQANCHMSA-N 400.434 3.322 0 40 HGAB O=C(Nc1ccc(Cl)cc1)c1ccc(NC2=N[C@H]3CS(=O)(=O)C[C@H]3S2)cc1 9530097 QQDCEDMJQVGZDB-JKSUJKDBSA-N 421.931 3.273 0 40 HGAB COc1ccc(-c2nnc(NC(=O)CCS(=O)(=O)c3ccc(Cl)cc3)o2)cc1 9629946 ZZOJKUJELVJEST-UHFFFAOYSA-N 421.862 3.201 0 40 HGAB NC(=O)c1ccsc1NC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1 9714705 IGPWHUBIJDSZED-UHFFFAOYSA-N 419.459 3.039 0 40 HGAB CCOC(=O)[C@H]1CCCN(C(=O)Cc2csc(NC(=O)Nc3ccccc3)n2)C1 9784578 VDVAFCDVHRVZQM-AWEZNQCLSA-N 416.503 3.131 0 40 HGAB CN(Cc1cccc(F)c1)C(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 9801101 KZDPYWASKDLRCV-UHFFFAOYSA-N 419.522 3.342 0 40 HGAB CC(C)c1cc(C(F)(F)F)n2nc([C@H]3CCCN3C(=O)Cn3cccn3)cc2n1 12220395 ANOMTBZAOASKIE-OAHLLOKOSA-N 406.412 3.432 0 40 HGAB Cc1ccccc1NCC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 12527838 DHODKLFEQMCWII-UHFFFAOYSA-N 423.538 3.093 0 40 HGAB COc1cc(OC)cc(C(=O)NCC(=O)Nc2ccc(N3CCC(C)CC3)cc2)c1 12563882 OFCYOPWQIPWESO-UHFFFAOYSA-N 411.502 3.309 0 40 HGAB Cc1ccc(-c2nnc3n2CCCCC3)cc1NC(=O)c1cccc(-n2cnnn2)c1 12740102 RHRRBFYXDRHGAG-UHFFFAOYSA-N 414.473 3.208 0 40 HGAB CCOc1ccc(N2C[C@@H](C(=O)N(C)Cc3ccc(OC)c(F)c3)CC2=O)cc1 12912214 GHSHNPBSLARXHL-INIZCTEOSA-N 400.450 3.245 0 40 HGAB C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N(C)Cc1ccc(Br)cc1 12994823 OTYMULXFKMQSNV-NSHDSACASA-N 403.280 3.078 0 40 HGAB COc1cc(CCC(=O)OCC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)cc(OC)c1OC 13140250 PWSFFFOPVWYZFN-YQQAZPJKSA-N 407.507 3.129 0 40 HGAB O=C(O)c1ccc(Cl)c(S(=O)(=O)Nc2cc3c(cc2Cl)OCCO3)c1 13278718 VKLGIENMZAJAKI-UHFFFAOYSA-N 404.227 3.264 0 40 HGAB CCN(CC)C(=O)COc1ccc(N(CC)S(=O)(=O)c2ccc(C)cc2)cc1 13585369 GRNAFGBSANESCT-UHFFFAOYSA-N 404.532 3.457 0 40 HGAB COc1ccc(C(=O)Nc2cc(-c3ccccc3)nn2[C@@H]2CCS(=O)(=O)C2)cc1 13734293 BMYKYDVBZRYMPC-QGZVFWFLSA-N 411.483 3.171 0 40 HGAB Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NCCC(C)C)cc1 14135439 WYXILARXICIBOP-UHFFFAOYSA-N 402.560 3.391 0 40 HGAB O=C(CCC(=O)c1cccs1)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 14141844 VJBZCHZXFJGHEM-UHFFFAOYSA-N 420.556 3.202 0 40 HGAB CCOC(=O)C1=C(COC(=O)C2(c3ccccc3)CCC2)NC(=O)N[C@H]1c1ccco1 16377110 GELALOMGDRJOTM-IBGZPJMESA-N 424.453 3.116 0 40 HGAB CCc1ccc(C(=O)NC(=S)Nc2ccccc2N2CCN(C(C)=O)CC2)cc1 17088592 KKJBJNHIFFSWPZ-UHFFFAOYSA-N 410.543 3.044 0 40 HGAB COc1ccccc1NC(=O)C[C@H]1SC(c2cc3ccccc3oc2=O)=NC1=O 18992308 PNARMMBDSMVJAS-QGZVFWFLSA-N 408.435 3.219 0 40 HGAB Cc1cc(-c2cnc(N3CCCCC3)nc2-c2ccc(N3CCOCC3)nc2)on1 19123976 SZRYTQOTGWOOQK-UHFFFAOYSA-N 406.490 3.329 0 40 HGAB O=C(CCc1ccccc1)N1CCC[C@@H]([C@@H]2C[C@H](C(F)(F)F)n3ncnc3N2)C1 19370717 YWCBLZLEFZITOL-IXDOHACOSA-N 407.440 3.437 0 40 HGAB O=c1[nH]c2ccccc2cc1CNc1ccc(N2CCN(c3ncccn3)CC2)cc1 19376187 BYKIRQJSOHCCPM-UHFFFAOYSA-N 412.497 3.257 0 40 HGAB CC(C)[C@H](Cn1nc(-c2ccc(F)c(F)c2)ccc1=O)NC(=O)c1cscn1 19451437 NGNQKGYLOMLDRG-INIZCTEOSA-N 404.442 3.100 0 40 HGAB C[C@H](Cn1cncn1)C(=O)N[C@@H](CCc1ccccc1)c1ccc2c(c1)OCCO2 19457837 XPNAKSLQOVKOLN-XLIONFOSSA-N 406.486 3.176 0 40 HGAB C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1ncc(Cc3ccccc3)s1)C2=O 19496144 MEYZOKHMNMLDPA-SPLOXXLWSA-N 412.515 3.173 0 40 HGAB COc1ccc2c(c1)C=C(CN1CCc3c(O)nc(-c4cccnc4)nc3C1)CO2 19562269 SVGPJMODFNIOJU-UHFFFAOYSA-N 402.454 3.087 0 40 HGAB CSc1ncc(CN2CCC[C@@H](c3ncc(Cl)cc3S(C)(=O)=O)C2)cn1 19574112 SCAKIWRBCBRXMD-CYBMUJFWSA-N 412.968 3.030 0 40 HGAB COc1ccc(OC)c(-c2n[nH]c(C(=O)Nc3nc4c(s3)CN(C)CC4)c2C)c1 19666860 NFSHPAOWVXLWKA-UHFFFAOYSA-N 413.503 3.099 0 40 HGAB Oc1c([C@H](c2ccccc2)N2CCN(Cc3ccccc3)CC2)sc2ncnn12 22031151 RUNWZNOXGDDOKZ-IBGZPJMESA-N 405.527 3.404 0 40 HGAB O=C(Nc1ccc2c(c1)OCO2)Nc1ccc(Cl)c(N2CCCS2(=O)=O)c1 22506366 XZKADBNGHGZQDA-UHFFFAOYSA-N 409.851 3.253 0 40 HGAB O=C(Cc1cc(=O)[nH]c(SCc2ccccc2F)n1)Nc1ccc2c(c1)OCO2 23243032 IXJQKPCFVCXILD-UHFFFAOYSA-N 413.430 3.111 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC[C@H]4CCCC[C@@H]4C3)CC2)cc1 23674867 IYLMKUVHAOZETR-IEBWSBKVSA-N 420.575 3.135 0 40 HGAB Cc1c(C(=O)N2CCC(c3nnc4ccccn34)CC2)cnn1-c1ccccc1F 26253388 JYVPSCOZVYIKKC-UHFFFAOYSA-N 404.449 3.382 0 40 HGAB Cc1ccc([C@@H](C)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1C 26417044 ZVOJXXWTCOQSDR-GOSISDBHSA-N 416.543 3.142 0 40 HGAB CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)CCc2ccc3c(c2)OCO3)c1 27106005 SYTAZUGUSCZAHP-UHFFFAOYSA-N 404.488 3.063 0 40 HGAB O=C(Cc1cccc(C(F)(F)F)c1)Nc1ccc(-n2ncc3c(=O)[nH]cnc32)cc1 29674283 SCHAABDCNKRUPL-UHFFFAOYSA-N 413.359 3.309 0 40 HGAB CCOc1ccc([C@H](C)NC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)cc1 30852469 ZPBNUBNHNVYYPK-AWEZNQCLSA-N 410.923 3.382 0 40 HGAB Cc1c(NC(=O)c2ccccc2OC[C@H]2CCCO2)c(=O)n(-c2ccccc2)n1C 32491665 URZRYYGYYPVNHA-GOSISDBHSA-N 407.470 3.295 0 40 HGAB O=c1nc2n(Cc3ccc(Cl)cc3Cl)cccc-2c(=O)n1Cc1ccccn1 32615414 DWNNQUUFMZYMOQ-UHFFFAOYSA-N 413.264 3.308 0 40 HGAB Cc1noc(C)c1CN1CCN(C(=O)c2cc(C3CC3)nn2-c2ccccc2)CC1 32912005 HTYDAUZPJHWIOP-UHFFFAOYSA-N 405.502 3.313 0 40 HGAB Cc1ccc(-c2nc(CSc3nnc([C@@H]4CCS(=O)(=O)C4)n3C)cs2)o1 32922459 LYQSORMCXCSXPA-LLVKDONJSA-N 410.546 3.034 0 40 HGAB CC(C)Cc1nnc(NC(=O)CCCCCn2nnc3ccccc3c2=O)s1 36352549 RMORUEGEOMBYIX-UHFFFAOYSA-N 400.508 3.041 0 40 HGAB O=S(=O)(/C=C\c1ccccc1)N1CCN(c2ccc(-c3ccc(F)cc3)nn2)CC1 36701790 DINVJXXHZUDAPR-ATVHPVEESA-N 424.501 3.405 0 40 HGAB Cc1nc2ccccc2n1CC1CCN(CC(=O)Nc2ccc3c(c2)OCCO3)CC1 38488538 AIVJEEIZTKGVBR-UHFFFAOYSA-N 420.513 3.467 0 40 HGAB CC[C@@H](CNC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccccc1 43175465 HOKKISZIVXTZQR-KRWDZBQOSA-N 417.531 3.023 0 40 HGAB CC(C)CNC(=O)c1ccccc1NS(=O)(=O)c1ccc(N2CCCC2=O)cc1 44839444 TZAICQGLDIJVKH-UHFFFAOYSA-N 415.515 3.000 0 40 HGAB CCOC(=O)c1ccc(NC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)nc2)cc1 48012739 DFXVPUKHLQGEMF-HOTGVXAUSA-N 412.490 3.194 0 40 HGAB CCCNC(=O)Cn1cc(C(=O)Nc2ccc(Cl)cc2)c(=O)c2ccc(C)nc21 49002065 HAXKKRMBRIQVSX-UHFFFAOYSA-N 412.877 3.137 0 40 HGAB COc1ccccc1S(=O)(=O)Nc1ccc(=O)n(Cc2ccccc2Cl)c1 55630099 FPBNVYNHRMNVSN-UHFFFAOYSA-N 404.875 3.359 0 40 HGAB CCc1ccccc1NC(=O)CN1CCN(C(=O)c2cccc(-n3cccc3)c2)CC1 58169886 CWVWGLMHDGKKQX-UHFFFAOYSA-N 416.525 3.436 0 40 HGAB CCOc1ccccc1NC(=O)Cn1nc2c3c4c(sc3ncn2c1=O)CCCC4 64945734 HPMRIFBMFXVEBN-UHFFFAOYSA-N 423.498 3.022 0 40 HGAB Cc1cc(C(=O)Nc2ccn(Cc3ccccn3)n2)c2nc3n(c2n1)CCCCC3 69929597 GVRYCUCQDLYUQJ-UHFFFAOYSA-N 401.474 3.358 0 40 HGAB COCCCCC(=O)N[C@@H](CNS(=O)(=O)c1ccc(C)cc1C)c1ccccc1 72297598 OJWPERFXMFBQHR-FQEVSTJZSA-N 418.559 3.256 0 40 HGAB CCS[C@H]1CC[C@H](N(C)CC(=O)NCc2ccccc2CN2CCCC2=O)C1 72304992 HHPIENICULYOPB-PMACEKPBSA-N 403.592 3.031 0 40 HGAB CCOC(=O)[C@](C)(NCC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccco1)C(C)C 72308603 BKZMGJSMYVXBBE-IIBYNOLFSA-N 401.463 3.118 0 40 HGAB COc1ccc(OC)c(CN2CCC3(CC2)CN(C(C)=O)Cc2ccccc2O3)c1 72394388 MTVRDQSSKOMZRN-UHFFFAOYSA-N 410.514 3.480 0 40 HGAB Cn1nc(-c2ccc(F)cc2)cc1C(=O)Nc1ccc(N2CCCS2(=O)=O)cc1 77200687 HOUCYAHXOJXQIW-UHFFFAOYSA-N 414.462 3.018 0 40 HGAB CS(=O)(=O)[C@@H]1CSCCN1C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 78878722 RCFHLJHJQYJQBR-LLVKDONJSA-N 421.384 3.284 0 40 HGAB CCC(=O)N1N=C(c2ccccc2NS(C)(=O)=O)C[C@@H]1c1cccc(OC)c1 79112558 ZBJVPSUXLSVCPL-LJQANCHMSA-N 401.488 3.154 0 40 HGAB COc1cccc2c1ccn2CCNC(=O)C1CCN(c2nc(C)cc(C)n2)CC1 79493138 GWRSPWANIHVWQJ-UHFFFAOYSA-N 407.518 3.090 0 40 HGAB Cc1cc(C)nc(N2CCC(C(=O)N3CCN(C/C=C/c4ccccc4)CC3)CC2)n1 79495578 IMSFQFHWKAGYMW-RMKNXTFCSA-N 419.573 3.167 0 40 HGAB COc1cc2c(cc1CNC(=O)CN(CC1CC1)C(=O)OC(C)(C)C)O[C@@H](C)C2 97020312 SLRIXTHXAACXFZ-AWEZNQCLSA-N 404.507 3.282 0 40 HGAB O=C(Nc1cc(C(F)(F)F)ccc1F)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 97135404 NPHWRKRDNAHFFK-OLZOCXBDSA-N 424.416 3.045 0 40 HGAB COc1ccc(CCN2C(=O)[C@H](C(=O)O)[C@H]3C[C@@]2(C)Oc2ccccc23)cc1OC 101345038 HROGDGHGXBIPPD-LERMDLETSA-N 411.454 3.072 0 40 HGAB Cc1cc(N2C[C@]34C=C[C@@H](O3)[C@@H](C(=O)Nc3cccc5ccccc35)[C@@H]4C2=O)no1 101446436 AXKDXJQYOWITQX-CFKGEZKQSA-N 401.422 3.061 0 40 HGAB O=Cc1ccc(OC(=O)c2cccc(N3C(=O)[C@H]4[C@@H]5C=C[C@@H]([C@H]6C[C@H]56)[C@@H]4C3=O)c2)cc1 102139421 JWJJTGFXWHTUPP-HJEMKOJISA-N 413.429 3.276 0 40 HGAB CCOc1ccccc1NC(=O)[C@@H](C)N(c1cc(C)ccc1OC)S(C)(=O)=O 220327844 QNJVCEMUALOIPK-OAHLLOKOSA-N 406.504 3.196 0 40 HGAB CCOc1ccc(NC(=O)[C@H](CC)N(c2ccc(OC)cc2)S(C)(=O)=O)cc1 220638328 SHXNKJSQSLNERM-IBGZPJMESA-N 406.504 3.277 0 40 HGAB CC[C@H](C(=O)Nc1nnc(SC)s1)N(c1cc(C)ccc1C)S(C)(=O)=O 222972456 WAKADDDTHKXGKQ-GFCCVEGCSA-N 414.578 3.060 0 40 HGAB CC[C@@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)COc1ccccc1Cl 223447072 YFNHSJMZLUKAOI-SFHVURJKSA-N 404.894 3.281 0 40 HGAB CCC(=O)N(Cc1ccc(OC)cc1)[C@H](C(=O)NC[C@@H]1CCCO1)c1ccccc1 223546876 HKZWOSMLHAKNOR-GMAHTHKFSA-N 410.514 3.470 0 40 HGAB Cc1cc(C(=O)NCCOc2ccc3ccccc3c2)ccc1N(C)S(C)(=O)=O 223637237 ZGACFVFBONAJBK-UHFFFAOYSA-N 412.511 3.353 0 40 HGAB COC(=O)c1cc(S(=O)(=O)Nc2ccc(N3CCCC3=O)c(C)c2)ccc1Cl 223834297 FWRGALDBJRGXAN-UHFFFAOYSA-N 422.890 3.363 0 40 HGAB CCC(=O)N1CCc2cc(S(=O)(=O)NCCOc3ccc(C)c(Cl)c3)ccc21 224189119 JWIVLNOXWVZZPC-UHFFFAOYSA-N 422.934 3.305 0 40 HGAB COc1ccc2cc(S(=O)(=O)NCc3cccc(N4CCCC4=O)c3)ccc2c1 224221556 QFQUIQGGXWPDOE-UHFFFAOYSA-N 410.495 3.454 0 40 HGAB COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)N[C@H](C)CCc1ccccc1 225546025 MGMZSYVRDPRWSJ-QGZVFWFLSA-N 418.559 3.016 0 40 HGAB CCCn1c(=O)sc2cc(S(=O)(=O)Nc3ccc(C(=O)OC)cc3)ccc21 225722560 BUICFGWGIHINDL-UHFFFAOYSA-N 406.485 3.060 0 40 HGAB COc1ccccc1/C=C/C(=O)NC1CCN(c2cc(C(F)(F)F)ncn2)CC1 225724663 BNFLCQUFGLBAQR-VOTSOKGWSA-N 406.408 3.302 0 40 HGAB CN(c1cccc(NC(=O)COc2cccc(C(F)(F)F)c2)c1)S(C)(=O)=O 225811125 FJENSIHIMWCPEC-UHFFFAOYSA-N 402.394 3.119 0 40 HGAB COc1cccc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)NC[C@H]4CCCO4)c3N2)c1 245232378 URNPSFADKPRTEG-PVAVHDDUSA-N 424.423 3.461 0 40 HGAB Cc1nccn1[C@@H]1CCC[C@@H](N(C)C(=O)CCCn2c(C)nc3ccccc32)[C@H]1O 257249248 JHMFSJINXGACSU-MQSCRBSSSA-N 409.534 3.243 0 40 HGAB Cc1nc(C[C@H]2CCCN(C(=O)c3cnc4ccccc4c3)C2)cc(C(=O)N(C)C)n1 257287842 PRSJOEDQBDRBFJ-QGZVFWFLSA-N 417.513 3.130 0 40 HGAB CCc1ccc(N([C@H](C)C(=O)N[C@H](C)c2ccccc2OC)S(C)(=O)=O)cc1 260770497 SUBISXBEFHZAMX-HZPDHXFCSA-N 404.532 3.290 0 40 HGAB COc1ccc(OCC(=O)N2N=C(c3ccc(F)cc3)C[C@@]2(O)C(F)(F)F)cc1 409357959 KURYOGJMCFPQAS-GOSISDBHSA-N 412.339 3.101 0 40 HGAB C[C@@H](CNC(=O)c1cn(-c2cccc(Cl)c2F)nn1)N1CCc2sccc2C1 540692827 UVGUHXRDBFXFLE-LBPRGKRZSA-N 419.913 3.298 0 40 HGAB COc1cc(Br)ccc1-c1noc(Cn2nnc(-c3ccccc3)n2)n1 545071074 YYQUTXGVUSNURO-UHFFFAOYSA-N 413.235 3.210 0 40 HGAB Cc1cc(C)c(S(=O)(=O)N(Cc2ccccc2)[C@H]2C=CS(=O)(=O)C2)cc1C 575423847 RULUAYXXFDHCHJ-IBGZPJMESA-N 405.541 3.113 0 40 HGAB O=C(Nc1ccc(C(F)(F)F)cc1)c1c2c(nn1[C@H]1CCS(=O)(=O)C1)CCC2 585188794 SAIDEHYHEIMJLN-ZDUSSCGKSA-N 413.421 3.003 0 40 HGAB CC(C)CC(=O)N1CCCCC2(CO)CCN(CC2)C(=O)c2ccccc2OCC1 643575326 PBOKVRCAVJJWKE-UHFFFAOYSA-N 416.562 3.339 0 40 HGAB CC(C)CNC(=O)CCc1ccc2c(c1)CN(C(C)C)CC(=O)NCCCCCO2 1848441847 YIDJORQEUWPISA-UHFFFAOYSA-N 417.594 3.281 0 40 HGAB O=C(Nc1cccnc1)N1C[C@H]2C[C@H](O)[C@@H](n3ccnc3-c3ccccc3)C[C@H]2C1 2332242635 DWUCTWJAUYNMCX-YHELAOLJSA-N 403.486 3.421 0 40 HGAB COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Cl)cc3)c(=O)n2[C@H]1c1ccccc1 631720 QGTWFGLBLAQMFT-GTVARFKMSA-N 424.909 3.062 0 40 HGAB COc1ccc(OC)c(NC(=O)CSc2nnc3c(n2)[nH]c2ccc(F)cc23)c1 886841 CLDWFBGEFCUHSJ-UHFFFAOYSA-N 413.434 3.393 0 40 HGAB COc1cc([C@@H]2SC[C@H]3C(=O)N(c4ccccc4)C(=O)N23)cc(OC)c1OC 1443388 NWDAALGFYWWTFO-LIRRHRJNSA-N 400.456 3.295 0 40 HGAB COc1cc(-c2nc3c4cnn(-c5ccccc5)c4ncn3n2)cc(OC)c1OC 2415830 JHMZRAYSPXDZOB-UHFFFAOYSA-N 402.414 3.156 0 40 HGAB O=C(NCc1cccs1)C(=O)c1cn(CC(=O)N2CCCCC2)c2ccccc12 3015370 JEYNOOLLIOOSKD-UHFFFAOYSA-N 409.511 3.214 0 40 HGAB CN(C)[C@H](CNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cccs1)c1ccco1 3417347 IWNJTXQTRJDTOB-QZTJIDSGSA-N 411.527 3.101 0 40 HGAB O=C(OCC(=O)N1CCCCCC1)c1cccc(N2C(=O)c3ccccc3C2=O)c1 3421517 HYPHFGHSAYQMTR-UHFFFAOYSA-N 406.438 3.047 0 40 HGAB COC(=O)c1cn(NC(=O)CCn2c(=S)oc3ccccc32)c(=O)c2ccccc12 3630889 FNTXXQLLGVPHCT-UHFFFAOYSA-N 423.450 3.226 0 40 HGAB CCCCC(=O)OCCN1C(=O)c2cccc3c(N4CCOCC4)ccc(c23)C1=O 4031758 DJIGGSYEQZTPAJ-UHFFFAOYSA-N 410.470 3.006 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccccc3)s2)cc1 4070425 YSGBFXZJIGYCPK-UHFFFAOYSA-N 416.528 3.488 0 40 HGAB COC[C@H](C)n1c(C)cc(C(=O)CN2C(=O)N[C@]3(CCCc4ccccc43)C2=O)c1C 4284961 PURAEWFJMDHDTD-FYSMJZIKSA-N 423.513 3.279 0 40 HGAB O=C(COc1ccccc1)NC[C@@H](c1cccs1)S(=O)(=O)c1ccccc1 4519437 MAQVAJWZGRAHHC-IBGZPJMESA-N 401.509 3.458 0 40 HGAB CCCCCOC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1ccc(Br)cc1 4879804 DRRQMOOKDNGHJF-OAHLLOKOSA-N 406.284 3.458 0 40 HGAB Cc1cc(Cl)ccc1OCC(=O)N(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 5091669 XDHBCFZEIKWELJ-GOSISDBHSA-N 407.919 3.243 0 40 HGAB COc1ccccc1N1C[C@@H](C(=O)O[C@@H](C)C(=O)c2c[nH]c3ccccc23)CC1=O 5189287 DXYUWVBNNRJMRT-GJZGRUSLSA-N 406.438 3.344 0 40 HGAB C[C@@H]1CCCCN1C(=O)Cn1cc(/C=C2/C(=O)N(C)C(=S)N2C)c2ccccc21 6275451 FREZCHHHNUZROW-VUFYJBQKSA-N 410.543 3.072 0 40 HGAB COc1ccc(OC)c([C@H]2C(C(=O)Nc3ccc(C)cc3C)=C(C)Nc3nnnn32)c1 6817642 MYYRTOXBLATASF-FQEVSTJZSA-N 420.473 3.235 0 40 HGAB CC(C)C[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccccc1 7037001 XYXMSUBDVMTBER-NRFANRHFSA-N 416.543 3.225 0 40 HGAB O=C(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)N1CCC[C@H](c2nc3ccccc3s2)C1 8104132 VHMHVTSFPFGGRP-YESZJQIVSA-N 423.538 3.344 0 40 HGAB COc1cc(C(=S)N2C[C@@H](C)O[C@H](C)C2)ccc1OCC(=O)Nc1ccccc1 8222657 OFPNTQINECJNLT-HZPDHXFCSA-N 414.527 3.497 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NC[C@H](C)c3ccccc3)C2)cc1 8304041 RBEZMXAOPGCPTK-HKUYNNGSSA-N 416.543 3.016 0 40 HGAB COC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)N[C@H]1c1ccc(C(=O)OC)cc1 8323452 JIUJNVZSMIOWDF-IBGZPJMESA-N 410.426 3.200 0 40 HGAB COc1ccc(OC)c(NC(=O)COC(=O)CCC(=O)Nc2ccc(Cl)cc2)c1 8414735 IUJZRDAOHDODCJ-UHFFFAOYSA-N 420.849 3.258 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)cc1NC(C)=O 10629950 PHUJUDGKTMNZMH-GOSISDBHSA-N 414.487 3.056 0 40 HGAB CCN(CC)CCNC(=O)CN1N=C(C(C)(C)C)Cn2c(cc3sccc32)C1=O 12145886 WSKYTXPGMJFKPX-UHFFFAOYSA-N 417.579 3.019 0 40 HGAB Cc1ccn2cc(C(=O)N(C)CC(=O)Nc3ccc(OC(F)(F)F)cc3)nc2c1 12525202 LUMJJNNOJPNESS-UHFFFAOYSA-N 406.364 3.252 0 40 HGAB Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N1CCN(C(=O)c2ccccc2)CC1 12776077 DYCODMWIYZGNJQ-UHFFFAOYSA-N 406.461 3.226 0 40 HGAB COc1cccc(-n2c(S[C@@H]3CCOC3=O)nc3sc4c(c3c2=O)CCC4)c1 12788133 ZFPYWMRVVYHPRN-OAHLLOKOSA-N 414.508 3.352 0 40 HGAB O=C(CN1C(=O)N[C@@H](CCc2ccccc2)C1=O)c1cccc(Br)c1 12796283 OBMFICGCZXFHGL-INIZCTEOSA-N 401.260 3.185 0 40 HGAB O=C(c1ccc(F)cc1Br)N1CCN(Cc2ccc3c(c2)OCO3)CC1 12946424 QUNGNXVINXFTTO-UHFFFAOYSA-N 421.266 3.275 0 40 HGAB CCCC1(CCC)NC(=O)N(CC(=O)Nc2c(C)nn(-c3ccccc3)c2C)C1=O 13040396 OSVYIGDRPZNBJM-UHFFFAOYSA-N 411.506 3.318 0 40 HGAB CCOc1ccc(NC(=O)CSC2=N[C@@H](c3c[nH]c4ccccc34)NC(N)=N2)cc1 13579118 IFLXZSNBAOHORU-IBGZPJMESA-N 422.514 3.211 0 40 HGAB COc1ccccc1-c1ccc(N2CCN(C(=O)NCc3ccccc3)CC2)nn1 13666725 RAVQMMWZMXWHNM-UHFFFAOYSA-N 403.486 3.184 0 40 HGAB Cc1ccc(-c2nnc(CCC(=O)NCc3ccc(N4CCCC4=O)cc3)o2)cc1 14129078 XFWYAXHGSLFHRS-UHFFFAOYSA-N 404.470 3.421 0 40 HGAB Cc1cccn2c(=O)cc(COc3ccccc3NS(=O)(=O)c3ccccc3)nc12 15865407 PMVBNJNTGHKJJW-UHFFFAOYSA-N 421.478 3.383 0 40 HGAB CCOc1ccc(CC(=O)Nc2ccc3c(c2)N(S(=O)(=O)CC)CCC3)cc1 17307648 AMCKAXWIPNZTRN-UHFFFAOYSA-N 402.516 3.369 0 40 HGAB CC(C)(C)c1ccc(OCC(=O)N2CCO[C@H](c3nc(-c4ccccn4)no3)C2)cc1 19084518 IMFGHWKKTRRWNH-IBGZPJMESA-N 422.485 3.408 0 40 HGAB c1cncc(-c2nc(NCCCN3CCOCC3)ncc2-c2ccc3c(c2)OCO3)c1 19340164 CJVXFMNOZIZABH-UHFFFAOYSA-N 419.485 3.069 0 40 HGAB O=C(CN1C(=O)N2CCCN=C2c2ccc(Cl)cc21)NCc1ccccc1F 19349491 QFMWCFRNODFKQI-UHFFFAOYSA-N 400.841 3.188 0 40 HGAB CC[C@H](CN1CCN(C)CC1)NC(=O)Cc1sc(C)nc1-c1cc(C)ccc1C 19500308 ZMJBBWPCJHYFFK-LJQANCHMSA-N 414.619 3.420 0 40 HGAB CN(C)c1nc2ccccc2cc1CN1CCc2c(nc(-c3ccncc3)[nH]c2=O)C1 19584072 UIILFNHWUWBELV-UHFFFAOYSA-N 412.497 3.004 0 40 HGAB C[C@@H](NC(=O)CN(C1CCCCC1)S(C)(=O)=O)c1cccc(Br)c1 20013295 TWTCSGGSKOKQOW-CYBMUJFWSA-N 417.369 3.221 0 40 HGAB COc1ccc([C@H](C)NC(=O)CCCN(c2ccc(F)cc2)S(C)(=O)=O)cc1 20485824 KQMNXVOCVQDIEI-HNNXBMFYSA-N 408.495 3.258 0 40 HGAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CN(c1ccccc1F)S(C)(=O)=O 22335364 SOUVIUPQBYBDPF-KRWDZBQOSA-N 420.506 3.319 0 40 HGAB COC(=O)C1(NC(=O)Cc2ccc(OCc3c(C)noc3C)cc2)CCCCC1 22503796 GGDKAQIDSSSBFJ-UHFFFAOYSA-N 400.475 3.405 0 40 HGAB CC(=O)N1CCC[C@H](c2[nH]c3cccnc3c2CN2CCN(C3CCCC3)CC2)C1 23089286 ZUZHQNUAJZGWEA-IBGZPJMESA-N 409.578 3.349 0 40 HGAB O=C(CN1CCN(c2ccccn2)CC1)NCc1ccc(-c2ccc(Cl)cc2)o1 23846460 SCRHOHYRUXCEFZ-UHFFFAOYSA-N 410.905 3.433 0 40 HGAB O=S(=O)(c1ccccc1Cl)N1CCN(Cc2nc3ccccc3s2)CC1 24149492 OVFOZTWSSBRZBU-UHFFFAOYSA-N 407.948 3.456 0 40 HGAB Cc1cc(N2CCOCC2)ccc1NC(=O)c1ccccc1S(=O)(=O)C(C)C 25274657 PCKSMPNWAJRHAF-UHFFFAOYSA-N 402.516 3.266 0 40 HGAB COc1ccc(CN(C2CC2)S(=O)(=O)c2cc(NC(C)=O)ccc2OC)cc1 26356948 GVHSVYCHEIWRQM-UHFFFAOYSA-N 404.488 3.016 0 40 HGAB Cc1ccc2[nH]c(SCC(=O)NC(=O)Nc3ccc4c(c3)OCCCO4)nc2c1 28066427 WHQKSJLZQKISMA-UHFFFAOYSA-N 412.471 3.473 0 40 HGAB COc1ccc(N2C[C@@H](C(=O)N3CCN(c4ccccc4Cl)CC3)CC2=O)cc1 30807173 DGLLYQOWWNLZOE-INIZCTEOSA-N 413.905 3.050 0 40 HGAB CC(C)(C)c1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)N1CCc3ccccc31)O2 30946999 KLCVTBVSLAXJSS-HXUWFJFHSA-N 414.527 3.100 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)c2ccc(NC(=O)OC)cc2)c1 32765571 NCSCSOJWFXKBGF-UHFFFAOYSA-N 419.503 3.456 0 40 HGAB Cc1noc(C)c1S(=O)(=O)N[C@H](C)C(=O)N[C@H](C)c1ccc(CC(C)C)cc1 32768458 OQIWYFWAFMNOKT-UKRRQHHQSA-N 407.536 3.034 0 40 HGAB CNS(=O)(=O)c1cc(C(=O)Nc2ccc(N3CCCC3)cc2C)ccc1Cl 32976427 UEOIGKWAUGWUFF-UHFFFAOYSA-N 407.923 3.409 0 40 HGAB O=C1C[C@H](N2CCCC[C@@H]2CCO)C(=O)N1c1ccc(Cl)c(C(F)(F)F)c1 36006836 PBAVITCTMCJRJB-ABAIWWIYSA-N 404.816 3.228 0 40 HGAB CC(C)OC(=O)c1ccc(NC(=O)[C@]23CCC(=O)N2c2ccccc2C(O)=N3)cc1 40313076 ICWHLPWOEHASHO-QFIPXVFZSA-N 407.426 3.032 0 40 HGAB biogenic C[C@H]1CCCCN1c1ccc(N2CCN(C(=O)c3c[nH]c4ccccc34)CC2)nn1 48985572 HVNKSNWGCAZBPU-KRWDZBQOSA-N 404.518 3.299 0 40 HGAB C[C@@]12CCC(=O)N1[C@H](C(=O)Nc1ccc(C(=O)N3CCCCCC3)cc1)CS2 55741604 UDRWPQGBANLPGL-LAUBAEHRSA-N 401.532 3.095 0 40 HGAB COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCCc3ccccc32)cc1 58144601 CEBRZFHCMBBUIU-MGPUTAFESA-N 417.531 3.199 0 40 HGAB CCN(CC)C(=O)Cn1ccc2cc(NC(=O)CCCNC(=O)c3ccco3)ccc21 58154663 BWCJXTYYNPJDMV-UHFFFAOYSA-N 424.501 3.251 0 40 HGAB CCOc1ccccc1N1CCN(C(=O)c2cn(-c3ccc(F)c(C)c3)nn2)CC1 67263149 INTYRFZHHKSUNL-UHFFFAOYSA-N 409.465 3.076 0 40 HGAB Cc1c(C(=O)N2CCCCC2)nnn1-c1cccc2c1CCN(C(=O)NC(C)(C)C)C2 69927850 OEEHSZQMVRAGJB-UHFFFAOYSA-N 424.549 3.068 0 40 HGAB C[C@@H](NC(=O)Nc1cc(C2CC2)nn1[C@@H]1CCS(=O)(=O)C1)c1ccc(F)c(F)c1 79015030 JFQWGJUYXSWXLK-BXUZGUMPSA-N 424.473 3.281 0 40 HGAB CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@@H]1C(=O)NCC[S@@](=O)c1ccccc1 79055115 LDFIKSFHJFUMHG-IYFHLELXSA-N 408.564 3.384 0 40 HGAB Cn1cc(-c2nc3cc(C(F)(F)F)ccc3n2Cc2ccccc2)c(=O)n(C)c1=O 89749768 CFJJWKBGBOIGPK-UHFFFAOYSA-N 414.387 3.168 0 40 HGAB Cc1ccccc1C1(CNS(=O)(=O)c2cccc3nsnc23)CCOCC1 95369478 WULWKHSXVQVIDK-UHFFFAOYSA-N 403.529 3.026 0 40 HGAB CN1C(=O)C[C@@H](NC(=O)c2ccc(NC(=O)C3CC3)cc2)[C@@H]1c1ccc(Cl)cc1 95454077 SPSFQRACDIQXGA-QUCCMNQESA-N 411.889 3.390 0 40 HGAB Cc1ccc(-c2csc3ncn(CCC(=O)N4C[C@H]5[C@H](O)CC[C@H]5C4)c(=O)c23)cc1 96010771 UEOIIOYKZDKASL-YQVWRLOYSA-N 423.538 3.053 0 40 HGAB CSCC[C@H](NC(=O)c1ccc(Nc2ncccn2)cc1)c1nnc2ccccn12 96117738 SBFUGVIRSWATLU-KRWDZBQOSA-N 419.514 3.487 0 40 HGAB COc1ccc(NC(=O)C2=NO[C@]3(CCCN(C(=O)Cc4cccs4)C3)C2)cc1 96225158 UKNPZGLJQXDFME-OAQYLSRUSA-N 413.499 3.075 0 40 HGAB Cc1cc(C)n(C)c(=O)c1C(=O)Nc1ccc2c(c1)C(=O)N(C)c1cccnc1S2 96230669 WSLBDHHWIYTUQR-UHFFFAOYSA-N 420.494 3.391 0 40 HGAB COc1ccc(-c2cc(N3CCC(NC(=O)Cc4cccc(OC)c4)CC3)[nH]n2)cc1 98212763 VPHBKKDBSLTCFT-UHFFFAOYSA-N 420.513 3.422 0 40 HGAB CCOc1ccc(S(=O)(=O)/C(=C\Nc2ccc(OC)c(OC)c2)C(=O)OC)cc1 100025936 YMXYZMHBBSBSBA-UYRXBGFRSA-N 421.471 3.003 0 40 HGAB C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)C[C@@H]3C[C@H]4CC[C@H]3C4)cc2)C[C@@H](C)O1 103998167 CZEDICXVXAQFFV-ZBRFXRBCSA-N 406.548 3.249 0 40 HGAB Cc1ccc(S(=O)(=O)N(C)CC(=O)NCCCc2ccc(C(C)C)cc2)cc1 219015153 IRJAULKFHZZRJO-UHFFFAOYSA-N 402.560 3.488 0 40 HGAB CC[C@@H](C(=O)NCCCc1ccc(F)cc1)N(c1ccc(C)cc1)S(C)(=O)=O 219096889 KABOGPJJEANUSC-FQEVSTJZSA-N 406.523 3.428 0 40 HGAB COC(=O)c1cc(S(=O)(=O)NCCSCc2ccccc2F)ccc1Cl 223155024 VOPKLGMKZVNAIK-UHFFFAOYSA-N 417.911 3.477 0 40 HGAB Cc1cccc(-c2noc(CNS(=O)(=O)Cc3cccc(Br)c3)n2)c1 223655691 RTEGBBHAEHHCGJ-UHFFFAOYSA-N 422.304 3.427 0 40 HGAB CS(=O)(=O)N(Cc1ccccc1)c1ccccc1C(=O)NCCOc1ccccc1 223823790 GCWJJWFWVMFEHE-UHFFFAOYSA-N 424.522 3.462 0 40 HGAB Cc1cc(C)n(Cc2ccc(C(=O)Nc3cccc(N(C)S(C)(=O)=O)c3)cc2)n1 225287635 BVDOCXJYLIIGSC-UHFFFAOYSA-N 412.515 3.196 0 40 HGAB CC1(C)Cc2cccc(OCC(=O)NC[C@](O)(c3ccco3)c3cccs3)c2O1 225587253 SBGYTGVHDTXIPR-QFIPXVFZSA-N 413.495 3.486 0 40 HGAB CO[C@@H]1CCN(CC(=O)Nc2ccc(OCc3ccccc3)cc2)C[C@@]12CCCO2 257273770 NICQIEXMGIZOJW-VWNXMTODSA-N 410.514 3.474 0 40 HGAB Cc1nn(C)c(C)c1CN1CC[C@@]2(COCc3cnc(NCc4ccccc4)nc32)C1 306127124 FOZIKEHBVLRNFK-DEOSSOPVSA-N 418.545 3.113 0 40 HGAB CC(C)n1cnc([C@@H]2CN(Cc3ccoc3)C[C@]23CCN(Cc2cccnc2)C3=O)c1 306139499 SYUOOOSTIYWNKI-XUZZJYLKSA-N 419.529 3.470 0 40 HGAB Cc1ccc(CNC(=O)C(=O)Nc2ccccc2C(=O)NCc2ccc(C)cc2)cc1 408709491 BPWXTKAIQCOIKP-UHFFFAOYSA-N 415.493 3.488 0 40 HGAB CCOc1ccc(NC(=O)CSc2nc(O)cc(=O)n2-c2ccccc2C)cc1 408887101 NXGAGAFXURPVJP-UHFFFAOYSA-N 411.483 3.376 0 40 HGAB Cc1ccccc1N1C[C@@H](C(=O)OCC(=O)Nc2ccc(F)c(Cl)c2)CC1=O 409145424 ICRDTEPSZWNTSY-ZDUSSCGKSA-N 404.825 3.322 0 40 HGAB COc1cccc(NC(=O)CN2CCCC[C@H]2c2nnc(C3CCOCC3)o2)c1 504335816 ZHUQDDTZBCFYLR-SFHVURJKSA-N 400.479 3.138 0 40 HGAB O=C(Nc1ccc(C(=O)N2CCC[C@@H]2c2ccccc2)cc1)c1ccc2nnnn2c1 532066973 USYQYDKEGFTMNW-HXUWFJFHSA-N 412.453 3.354 0 40 HGAB COCCOc1nc(-c2ccccc2)nc2c1CCN(C(=O)c1ccccc1)CC2 585111102 DOCAYPZVMRLZJG-UHFFFAOYSA-N 403.482 3.410 0 40 HGAB CC(C)CN1CC2(CCN(C(=O)CC3=CCCCC3)CC2)[C@]2(CCN(C)C2=O)C1 2055795977 CWPUYLXKDOBHMK-XMMPIXPASA-N 401.595 3.306 0 40 HGAB CCc1ccc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)Nc2ccc(Cl)cc2)cc1 2217554 IQRXJIGWWVRUCV-SFHVURJKSA-N 414.893 3.264 0 40 HGAB Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)OCCN1C(=O)c2ccccc2C1=O 2617171 AYSPMQRLBOHFEZ-UHFFFAOYSA-N 423.856 3.346 0 40 HGAB O=C(CSC1=NCCS1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 3218090 AXQQSAIVETYWOQ-UHFFFAOYSA-N 405.467 3.317 0 40 HGAB CCN(C(=O)COC(=O)CCS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 3249805 OKMCXWVGUKPQFM-UHFFFAOYSA-N 409.891 3.100 0 40 HGAB COc1ccc(OC)c(NC(=O)[C@H]2C[C@H](C(C)C)N[C@]23C(=O)Nc2c(C)cccc23)c1 4090941 NUWKCRBCXHDKKZ-GGUMNFRJSA-N 423.513 3.432 0 40 HGAB biogenic C[C@H]1CCN(C(=O)CN2C(=O)N[C@](C)(c3ccccc3)C2=O)c2ccccc2S1 4288953 CALIHJWWQATEOJ-OYHNWAKOSA-N 409.511 3.371 0 40 HGAB CCOC(=O)[C@H]1CCCN([C@@H](c2cccs2)c2sc3nc(CC)nn3c2O)C1 4584760 UDDGGNMQFSPRFE-WFASDCNBSA-N 420.560 3.485 0 40 HGAB CN(C)CC(C)(C)CNC(=O)C1CCN(Cc2ccc(Br)cc2)CC1 4699009 RVWVQIDOPKIAOT-UHFFFAOYSA-N 410.400 3.365 0 40 HGAB Cc1ccc(C2=NN(C(=O)CSc3nc(N)cc(N)n3)[C@H](c3ccco3)C2)cc1 4894177 UPKMWUIJOYVDIR-HNNXBMFYSA-N 408.487 3.012 0 40 HGAB CS(=O)(=O)N(CCCC(=O)Nc1ccc2c(c1)OCO2)c1cccc(Cl)c1 4986349 SLGGNNPSAMKSJT-UHFFFAOYSA-N 410.879 3.254 0 40 HGAB O=C(CCCSc1nc2scc(-c3ccccc3)c2c(=O)[nH]1)N1CCOCC1 5265741 LPTFEIAQXLPCGB-UHFFFAOYSA-N 415.540 3.383 0 40 HGAB NC(=O)c1ccc(NC(=O)CCCCCCCC(=O)Nc2ccc(C(N)=O)cc2)cc1 5750300 RYPTXWHESNIZCM-UHFFFAOYSA-N 424.501 3.192 0 40 HGAB CC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3cccc(C)c3C)C2)cc1 5934718 ZWSAMZWNVVQJTP-GOSISDBHSA-N 408.454 3.041 0 40 HGAB CC1=CC(=O)C2=C(C)C[C@H](OC(=O)C(Cl)(Cl)Cl)[C@@H]3[C@H](C)C(=O)O[C@@H]3[C@@H]12 6183862 XJZDWBGISVLGDS-JDRXTOKYSA-N 407.677 3.312 0 40 HGAB biogenic COCCNc1nnc(SCC(=O)c2cc(C)n(-c3cc(C)on3)c2C)s1 6428262 JQARFWZVRMMULJ-UHFFFAOYSA-N 407.521 3.275 0 40 HGAB Cc1ccc2c(c1)CCCN2C(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 6608127 BUCHITUGWAXDFV-UHFFFAOYSA-N 423.538 3.135 0 40 HGAB COc1cccc(C(=O)c2cnc3sc(C(=O)N4C[C@@H](C)O[C@H](C)C4)c(C)n23)c1 6664260 NHAZSGLKYOZBGV-CHWSQXEVSA-N 413.499 3.193 0 40 HGAB C[C@@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)N(C)Cc1ccccc1 6823992 OYEWYNLZLVEAIO-GFCCVEGCSA-N 401.315 3.319 0 40 HGAB COCCCN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@@H]1c1ccc(C(=O)OC)cc1 6881556 HIUAJJISPIOCFS-FQEVSTJZSA-N 421.449 3.470 0 40 HGAB CCN(CC)S(=O)(=O)c1cc(C)c(C)c(NC(=O)c2ccc3c(c2)OCO3)c1 7070913 KCEZXXBLLWSENA-UHFFFAOYSA-N 404.488 3.315 0 40 HGAB CCOC(=O)CCCNC(=O)COC(=O)c1c2c(nc3ccccc13)CCCCC2 7141275 ZYLXZZPUYFSMDI-UHFFFAOYSA-N 412.486 3.120 0 40 HGAB CCc1nnc(S/C(=C\c2cccc(I)c2)C(=O)O)o1 7603388 RLRBKSUZRMMCAK-YFHOEESVSA-N 402.213 3.454 0 40 HGAB CCOc1ccc(NC(=O)CN2C(=O)N[C@](C)(c3ccc(Cl)cc3)C2=O)cc1 7698956 OQVMUFYDOLRBKT-HXUWFJFHSA-N 401.850 3.144 0 40 HGAB CC1CCC2(CC1)NC(=O)N(CC(=O)N[C@H](C)c1ccc(Br)cc1)C2=O 7717760 BNBRWYZNQIBCFG-FWHMADFJSA-N 422.323 3.127 0 40 HGAB COc1ccc(N2C[C@@H](C(=O)O[C@H](C)C(=O)c3ccc(C)cc3)CC2=O)c(OC)c1 7881541 IQBCIEUPPMDWIB-WBVHZDCISA-N 411.454 3.180 0 40 HGAB CCc1nnc2sc(-c3cccc(NC(=O)c4ccc5c(c4)OCCO5)c3)nn12 8071416 PYCGOYAZEUNERY-UHFFFAOYSA-N 407.455 3.439 0 40 HGAB COCCN(Cc1ccccc1)C(=O)CN1c2cccc3cccc(c23)S1(=O)=O 8100257 UGBOHNCDSYAZBP-UHFFFAOYSA-N 410.495 3.024 0 40 HGAB CNS(=O)(=O)c1cc(NC(=O)c2cnc(SC)n2-c2ccccc2)ccc1C 8136262 GECXIBPWCVSXMW-UHFFFAOYSA-N 416.528 3.063 0 40 HGAB CCCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N(C)CCO3)cc1C 8961578 LHDWQPVPDBZQFE-UHFFFAOYSA-N 404.488 3.049 0 40 HGAB Cc1nc(NS(=O)(=O)c2ccccc2)sc1C(=O)N1CCc2ccccc2C1 8977596 JAOBVHVMCCDPOH-UHFFFAOYSA-N 413.524 3.451 0 40 HGAB CCOC(=O)Cc1c(C(=O)OCC)nnc2c(-c3ccc(Cl)cc3)c(C)nn12 8990451 IWJRNELPVUUQFZ-UHFFFAOYSA-N 402.838 3.035 0 40 HGAB CCOC(=O)C(=O)Nc1ccccc1C(=O)NCCc1c[nH]c2ccc(Cl)cc12 8991082 KRDORTZZFPUGNU-UHFFFAOYSA-N 413.861 3.295 0 40 HGAB CCOc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3[C@@H](C=C(C)C)C3(C)C)CC2)cc1 8993954 UQEHBFXHMLSYEX-WOJBJXKFSA-N 420.575 3.157 0 40 HGAB Cc1ccc(NC(=O)CN2CCC(C(=O)Nc3ccc4c(c3)OCCO4)CC2)c(C)c1 9071785 OZVKIDYHCXCQCZ-UHFFFAOYSA-N 423.513 3.364 0 40 HGAB O=C(COc1ccc(-n2cnnn2)cc1)N1CCC[C@H](c2nc3ccccc3s2)C1 9377162 RZMXGZFAZIMWNA-HNNXBMFYSA-N 420.498 3.057 0 40 HGAB C[C@H](NC(=O)COc1ccccc1)C(=O)O[C@@H](C)C(=O)C12CC3CC(CC(C3)C1)C2 9690640 UIBQEZPSWHLIES-WAWSTRMLSA-N 413.514 3.287 0 40 HGAB COc1ccc(C2=NN(CC(=O)N3CCCC3)C(=O)c3cc4ccccc4n3C2)cc1 12113616 KTLKDTIJAZDKMH-UHFFFAOYSA-N 416.481 3.132 0 40 HGAB CCOc1ccc([C@H](O)CN2CCC3(CC2)C[C@@H](O)c2cc(OC)ccc2O3)cc1 12293667 GFTZFYRDDBMVNZ-FGZHOGPDSA-N 413.514 3.478 0 40 HGAB COc1ccc(NC(=O)/C=C(\C)NC[C@@H](c2cccs2)N2CCOCC2)cc1 12627569 RTBROLGFIMTADP-IDCODDLRSA-N 401.532 3.262 0 40 HGAB COc1ccc(-c2csc(NC(=O)CCc3c(C)nc(C)[nH]c3=O)n2)cc1F 12766121 SWJAQZPXFMMDEV-UHFFFAOYSA-N 402.451 3.229 0 40 HGAB O=C(CN1CCC(NC(=O)CCC(=O)c2ccc(F)cc2)CC1)Nc1ccccc1 12777120 ICOMUTMYEOTNQJ-UHFFFAOYSA-N 411.477 3.008 0 40 HGAB CCS(=O)(=O)N1CCC(C(=O)Nc2nc3c(ccc4ccccc43)s2)CC1 12973568 VVUWSAMTSBJPRZ-UHFFFAOYSA-N 403.529 3.450 0 40 HGAB CCOC(=O)[C@H]1CCCN(C(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)C1 13011293 JNDXSLDFUYNMIS-SFHVURJKSA-N 404.470 3.350 0 40 HGAB FC(F)(F)c1cnc(N2CCCN(c3nnnn3-c3ccccc3)CC2)c(Cl)c1 13127526 RQKOIXYTOZAPJS-UHFFFAOYSA-N 423.830 3.446 0 40 HGAB Cc1cc(C)n(C[C@H](C)C(=O)N2CCC[C@@H](c3nc4ccccc4cc3C(N)=O)C2)n1 13225362 MJSAQXXJZALMSX-HNAYVOBHSA-N 419.529 3.189 0 40 HGAB CCOc1ccccc1C(=O)Nc1nnc(S(=O)(=O)Cc2ccccc2F)s1 13629214 LUVUBSVQEYSDLZ-UHFFFAOYSA-N 421.475 3.302 0 40 HGAB CCOC(=O)c1ccc(NC(=O)[C@@H](CC)N(c2ccc(C)cc2)S(C)(=O)=O)cc1 13713126 JAIKPYKNPMYIHQ-LJQANCHMSA-N 418.515 3.355 0 40 HGAB CC(C)[C@H](C(=O)OCC(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2C1=O 13785433 QVYDPTHOKUMAHH-AUKGUFSJSA-N 417.889 3.122 0 40 HGAB O=C(COC(=O)C1CCN(C(=O)Nc2ccccc2)CC1)c1ccc2c(c1)OCCO2 14015524 HGXGJDMVNCQUQL-UHFFFAOYSA-N 424.453 3.128 0 40 HGAB CN(CCOc1ccccc1)CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O 14076615 VKNWTLOLJFSMLQ-UHFFFAOYSA-N 415.493 3.450 0 40 HGAB CC(=O)N/C(=C\c1ccccc1)C(=O)N1CCN(Cc2ccc(Cl)s2)CC1 14201491 NUANBAGLFKEGTN-AQTBWJFISA-N 403.935 3.223 0 40 HGAB C/C=C/c1ccc(OC[C@H](O)CN2C(=O)N[C@@](C)(CCC(C)C)C2=O)c(OC)c1 14249028 TUGCWVHUJPGTSM-UGJQDOKGSA-N 404.507 3.215 0 40 HGAB COc1cc(OC)c(OC)cc1CNC(=O)c1sc(NC(=O)C2CC2)cc1C 14523286 CSUYDSWEWSRBHH-UHFFFAOYSA-N 404.488 3.361 0 40 HGAB COc1ccccc1C(=O)NC(=S)Nc1nc2ccc(NC(C)=O)cc2s1 16321513 JVNPPKFIGOQSPM-UHFFFAOYSA-N 400.485 3.390 0 40 HGAB Cc1cc(COC(=O)C2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)no1 17143726 OMAPUDVDTXSUNB-UHFFFAOYSA-N 414.483 3.280 0 40 HGAB COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1cc(C(C)(C)C)n2ncnc2n1)CC3 19083873 HNGNIBPINYJGIN-UHFFFAOYSA-N 404.474 3.110 0 40 HGAB Cc1cc2c(cc1CN1CCC([C@@H](NC(=O)C(F)F)c3ccccn3)CC1)OCO2 19125521 IZBXWIVYGCNIOY-HXUWFJFHSA-N 417.456 3.453 0 40 HGAB CCNC(=O)[C@]1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)c2cnccn2)C1 19529105 NKOCKRNPMZGMEJ-VWLOTQADSA-N 414.509 3.355 0 40 HGAB CC(=O)N[C@H]1C[C@@H](CCNC(=O)Cc2ccc(N(C)C)cc2)O[C@@H](c2ccccc2)C1 19712421 RWVSKUJZILWBOM-QPTUXGOLSA-N 423.557 3.226 0 40 HGAB Cc1nc(C(F)(F)F)ccc1C(=O)N[C@@H]1CCCN(Cc2cnn(C)c2C)CC1 19749084 ZOTWUVCICGALSI-MRXNPFEDSA-N 409.456 3.235 0 40 HGAB Cc1cccc(Nc2nc(N)nc(CN3CCN(C/C=C/c4ccccc4)CC3)n2)c1 19899255 MQKRHHHFSJQLNI-UXBLZVDNSA-N 415.545 3.337 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cc(F)ccc3F)C2)cc1C 20016806 PKBLVSLYUIDGPM-AWEZNQCLSA-N 424.469 3.321 0 40 HGAB CSc1ccc([C@@H](C)NC(=O)COc2ccc(S(=O)(=O)N(C)C)cc2C)cc1 20022659 FHHCGSDCRSNBAR-OAHLLOKOSA-N 422.572 3.223 0 40 HGAB Cc1ccc([C@@H](C)NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)c(C)c1 20104100 WPEAHMDHZJBTAX-GOSISDBHSA-N 416.543 3.124 0 40 HGAB COC(=O)c1cccc(NC(=O)N2CCc3nc[nH]c3[C@@H]2c2ccccc2OC)c1 20761076 JYFUZLNSYALOBA-FQEVSTJZSA-N 406.442 3.385 0 40 HGAB biogenic CCCCCNC(=O)COc1ccc(N(Cc2ccc(F)cc2)S(C)(=O)=O)cc1 22232778 WNUOAGMGCWGZBL-UHFFFAOYSA-N 422.522 3.477 0 40 HGAB O=C1O[C@H](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)Cc2ccccc21 23079786 VDYITTJZNYPAPP-SFHVURJKSA-N 404.388 3.136 0 40 HGAB O=C(CCc1ncc(-c2ccccc2)o1)NCCN1CCN(c2ccccc2)CC1 23172161 JEEFDOAERPSJFK-UHFFFAOYSA-N 404.514 3.213 0 40 HGAB COc1ccc([C@H](NC(=O)c2cc(Cl)c3c(c2)OCCO3)c2nccn2C)cc1 24025692 QRYMLWGDCOYYNF-SFHVURJKSA-N 413.861 3.373 0 40 HGAB COc1ccc(CC(=O)Nc2nc3ccc(NC(C)=O)cc3s2)c(OC)c1OC 24974859 BNGAFFOCYHAILV-UHFFFAOYSA-N 415.471 3.462 0 40 HGAB COc1cc(NC(=O)c2cnn(-c3ccccc3C)c2C)c(C(=O)N(C)C)cc1OC 25222969 WOTCJATWFKTZLW-UHFFFAOYSA-N 422.485 3.460 0 40 HGAB Fc1ccc(C(c2ccc(F)cc2)N2CCN(Cc3nnnn3C3CC3)CC2)cc1 29964617 FXENIIQRWKHGQV-UHFFFAOYSA-N 410.472 3.193 0 40 HGAB CCN(c1ccc(NC(=O)/C=C/c2ccc(OCC(N)=O)c(OC)c2)cc1)C(C)C 30675522 UIDTYVUUSIGFTH-NTUHNPAUSA-N 411.502 3.446 0 40 HGAB CCOc1ccccc1N1CCN([C@H](C(=O)O)c2c[nH]c3ccc(CO)cc23)CC1 32102646 LJEASBIVNATJRK-QFIPXVFZSA-N 409.486 3.007 0 40 HGAB C[C@@H](Sc1nccn1-c1ccccc1)C(=O)NC(=O)Nc1ccc2c(c1)OCCO2 32752718 LWXFNHUOWCLUGP-CQSZACIVSA-N 424.482 3.472 0 40 HGAB O=C(NCC(F)(F)F)c1ccc(CN(C2CC2)S(=O)(=O)c2cccs2)cc1 32771376 NDMNRKAGTUBRTC-UHFFFAOYSA-N 418.462 3.394 0 40 HGAB Cc1ccc2nc(C)c(C(=O)OCC(=O)NCC(=O)Nc3cccc(C)c3C)cc2c1 32854510 NICCVCBNXZYEAI-UHFFFAOYSA-N 419.481 3.380 0 40 HGAB CC1CCN([C@H](CNC(=O)C2CCN(C(=O)C3CC3)CC2)c2cccs2)CC1 33028219 NMLISWKWULQOCL-LJQANCHMSA-N 403.592 3.286 0 40 HGAB COc1ccc(S(=O)(=O)N(C)c2ccsc2C(=O)NCc2ccco2)cc1 33141774 QXQUFKDZXFPOBL-UHFFFAOYSA-N 406.485 3.105 0 40 HGAB CCCn1c(SCC(=O)Nc2cccc(NC(C)=O)c2)nnc1-c1cccnc1 35312290 IQALRPDMSDNNLC-UHFFFAOYSA-N 410.503 3.439 0 40 HGAB Cc1cc2nc(CSc3nnc(NC(=O)c4ccc(F)cc4)s3)cc(=O)n2o1 35426816 VPWMZYFBINKDPQ-UHFFFAOYSA-N 417.447 3.131 0 40 HGAB O=C(c1ccc(Cn2ccnc2)cc1)N1CCN(C(=O)[C@H]2C[C@@H]2c2ccccc2)CC1 38732464 NYWCRDXRAFTMRN-PKTZIBPZSA-N 414.509 3.020 0 40 HGAB Cc1nn(-c2ccc(C(F)(F)F)cn2)c(C)c1CC(=O)Nc1ccc(C(N)=O)cc1 40134500 PHPGIFAHLMTNCJ-UHFFFAOYSA-N 417.391 3.183 0 40 HGAB Cc1ccc([C@H](NC(=O)CN(C)S(=O)(=O)c2cccs2)C(F)(F)F)cc1 48325154 UOMLBGOQZUKFGU-HNNXBMFYSA-N 406.451 3.097 0 40 HGAB O=C(Nc1ccc(NC(=O)N(Cc2cccnc2)C[C@@H]2CCCO2)cc1)[C@@H]1CCCO1 58174763 KHUHFWSCHHPAIH-SFTDATJTSA-N 424.501 3.412 0 40 HGAB Cc1ccc(C(=O)NCc2ccc(N3CCCN(C)CC3)nc2)cc1-n1cccc1 58194894 BVTMFVHNTPRNGZ-UHFFFAOYSA-N 403.530 3.253 0 40 HGAB O=C(CCN1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)NC1CCCC1 58406884 QAHRSNSRZYFMTP-UHFFFAOYSA-N 404.864 3.325 0 40 HGAB CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)NC(C)(C)c1nccs1 72304003 ODNNRQRMJDSYCI-UHFFFAOYSA-N 403.552 3.350 0 40 HGAB C[C@@H](OC(=O)CCS(=O)(=O)C1CCCC1)[C@H]1CCCCN1C(=O)OC(C)(C)C 72310733 KJTHHBYAEFGVLD-NVXWUHKLSA-N 417.568 3.455 0 40 HGAB COc1ccc(OC)c(CN2CCC[C@@H](c3cc(=O)[nH]c(-c4ccncc4)n3)C2)c1 72392927 TZJVTRKUYMRSGS-QGZVFWFLSA-N 406.486 3.229 0 40 HGAB CCOc1cc(CN2CCC[C@H](c3cc(=O)[nH]c(-c4ccccn4)n3)C2)ccc1O 72393226 VRWUACIMVQENBK-KRWDZBQOSA-N 406.486 3.316 0 40 HGAB COCCn1nc([C@@H]2CCCN(C(=O)Nc3cccc(Cl)c3)C2)n(C2CC2)c1=O 77151126 LNEAPBMARIVMIH-CQSZACIVSA-N 419.913 3.091 0 40 HGAB COc1ccc(CNC(=O)N2CCC(CSc3nccn3C)CC2)cc1OC 90608223 NPFQPBKBBRNCGS-UHFFFAOYSA-N 404.536 3.151 0 40 HGAB O=C(c1ccc(Br)cc1F)N1CCC2(CC1)C[C@H]2C(=O)N1CCCC1 95458863 SIYAEUKAKYBYMI-HNNXBMFYSA-N 409.299 3.453 0 40 HGAB CN(C)C(=O)n1c(C(=O)N2CC[C@@H](N(C)C)C2)cc2c1c1ccccc1n2CC1CC1 96146526 JGLQEDCWUDSRAS-QGZVFWFLSA-N 421.545 3.312 0 40 HGAB CC(C)c1ccc(S(=O)(=O)N2CCC3(CC2)C[C@@H](Nc2ncccn2)CO3)cc1 96221637 TVCRYGHDZGZVGX-GOSISDBHSA-N 416.547 3.024 0 40 HGAB O=C(CCc1cccnc1)N1C[C@H]2CN(C3CCN(Cc4ccccc4)CC3)C[C@@H]2C1 96245528 HLAUECMPDRJKBI-DNQXCXABSA-N 418.585 3.069 0 40 HGAB C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@@]21C 96341659 NKRVAQNWPRPQDK-MVEIHGRFSA-N 406.563 3.369 0 40 HGAB COc1cccc([C@@H](c2ccccc2)N2[C@@H]3CC[C@@H]2CN(S(C)(=O)=O)CC3)c1 100464937 JHQCDOQATLUCIV-KCZVDYSFSA-N 400.544 3.283 0 40 HGAB COCCN1C[C@H](c2cc(O)n3nc(C)c(-c4ccc(Cl)cc4)c3n2)CC1=O 100775812 WZCVZHNKIGBELN-CQSZACIVSA-N 400.866 3.026 0 40 HGAB O=c1c(CN2CCCCC2)coc(O)c1CN1CCN(C/C=C/c2ccccc2)CC1 101372649 UMOFSLFSZRDXML-JXMROGBWSA-N 423.557 3.162 0 40 HGAB CCOc1ccc(NC(=O)CCCN(c2ccccc2OC)S(C)(=O)=O)cc1 113967263 SNHBWSRMDWFYCV-UHFFFAOYSA-N 406.504 3.279 0 40 HGAB COc1c2ccc(C(=O)N[C@@H]3CCN(c4ccc(C(F)(F)F)cn4)C3)cc2nn1C 206787210 XXLGBGGCWMOECH-CQSZACIVSA-N 419.407 3.004 0 40 HGAB COC(=O)[C@@H]1C[C@H](Oc2ccccc2F)CN1C(=O)c1cnn(-c2ccccc2)c1C 206802759 QWBUHBLHVBJVEU-PXNSSMCTSA-N 423.444 3.155 0 40 HGAB Cc1ccc(N([C@H](C)C(=O)Nc2ccc3c(c2)OCO3)S(C)(=O)=O)cc1Cl 220358708 HOZHXEIMUMIQEN-GFCCVEGCSA-N 410.879 3.170 0 40 HGAB COC(=O)c1cc2cc(NS(=O)(=O)c3ccc(N(C)C(C)=O)cc3)ccc2s1 223273225 YZDGRNNYIJAPIB-UHFFFAOYSA-N 418.496 3.471 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)Nc1c(F)cccc1F 224383624 ZWIOXLMPLHAFHQ-UHFFFAOYSA-N 424.469 3.329 0 40 HGAB Cc1ccc(N(CCCC(=O)NCCOc2ccccc2C)S(C)(=O)=O)cc1 224628709 MQQYXRJFTBVZAY-UHFFFAOYSA-N 404.532 3.045 0 40 HGAB CSc1nnc(NC(=O)c2cccc(N(C)S(=O)(=O)c3ccccc3)c2)s1 224825122 JVDSEWLDPPDWPZ-UHFFFAOYSA-N 420.541 3.337 0 40 HGAB CC(=O)Nc1cc(NC(=O)CN2C[C@H]3CCC[C@H](Cc4cnccn4)[C@H]3C2)ccc1C 257257595 KQHWUMKSJFEKIC-WOIUINJBSA-N 421.545 3.273 0 40 HGAB C[C@]12CCN(C(=O)c3cnccn3)[C@H]1CCC(=O)N2Cc1ccc(C(F)(F)F)cc1 257261376 LHALSSBFTIIIRS-PXNSSMCTSA-N 418.419 3.291 0 40 HGAB CN(C)c1ncc(CN2CCO[C@H](c3cccc(Cc4ccccc4F)n3)C2)cn1 257265557 LZDUKCVRROMLFH-QFIPXVFZSA-N 407.493 3.241 0 40 HGAB COc1cccc(Cc2cnc([C@@H]3CCCCN3C(=O)Cn3ccccc3=O)o2)c1 257289631 PZNHFPWNGKQFQC-FQEVSTJZSA-N 407.470 3.190 0 40 HGAB CNC(=O)c1sc2nc([C@@H]3CCCN3C(=O)c3cc(F)cc(F)c3)ccc2c1N 257331954 XVBKIEZTHDPYMX-HNNXBMFYSA-N 416.453 3.494 0 40 HGAB CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N[C@H](C)CCc1ccccc1 260813075 PHQROMCJNQFNKD-DYESRHJHSA-N 418.559 3.377 0 40 HGAB COc1ccc(-c2nnc3n2C2(CCN(Cc4scnc4C)CC2)CN(C)C3)cc1 306142558 XDHLQZFZKLSSQN-UHFFFAOYSA-N 424.574 3.155 0 40 HGAB O=S(=O)(CCC(F)(F)F)N(CCn1ccc(-c2ccncc2)n1)C1CCCC1 390826720 OYXFMMMGZLZICV-UHFFFAOYSA-N 416.469 3.472 0 40 HGAB COC(=O)C(=Cc1cc(Cl)ccc1OCC(=O)Nc1cccc(C)c1)C(=O)OC 409049594 WZLINYITZURYOV-UHFFFAOYSA-N 417.845 3.395 0 40 HGAB COC(=O)c1ccc(Cl)c(NC(=O)CN(c2cc(C)ccc2C)S(C)(=O)=O)c1 409263092 LNJPUKLHFIRPDI-UHFFFAOYSA-N 424.906 3.148 0 40 HGAB O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ncc[nH]1)c1ccccc1Cl 511405662 OIGDENWOMDFJMZ-IBGZPJMESA-N 421.888 3.202 0 40 HGAB C[C@@H](Oc1ccc2c(c1)CCC2)c1nc(-c2cccc([C@@]3(C)NC(=O)NC3=O)c2)no1 545655044 VXTKKKKMVAONRK-JCQPUDPBSA-N 418.453 3.420 0 40 HGAB C[C@@H](CNC(=O)Cn1ccc2ccccc21)N(C)C(=O)Cn1ccc2ccccc21 600316506 UJOQHNLKUKATIM-SFHVURJKSA-N 402.498 3.259 0 40 HGAB COC(=O)[C@@H](CNC(=O)[C@H](C)c1cccc(Br)c1)Oc1ccccc1 1558146061 CROSBRSZPKRXQY-CXAGYDPISA-N 406.276 3.289 0 40 HGAB Cc1cc(N2CCN(c3ccc4nc(C(C)(C)C)cn4n3)CC2)n2nc(C)cc2n1 1888921994 VCJGDPNBJYCBHV-UHFFFAOYSA-N 404.522 3.013 0 40 HGAB Cc1oc(-c2ccc3c(c2)OCCO3)cc1C(=O)N[C@@H](Cc1ccccc1)C(=O)O 667357 GRCZPBSVGRPYCV-SFHVURJKSA-N 407.422 3.452 0 40 HGAB CCOC(=O)[C@@H](C)Sc1nc2c(c(=O)n1-c1ccc(OCC)cc1)SCC2 755464 AQNATJNPEUUWLR-GFCCVEGCSA-N 406.529 3.323 0 40 HGAB Cc1cc2cc([C@H](c3nnnn3Cc3ccccc3)N3CCCC3)c(=O)[nH]c2cc1C 893870 IZXNPINOKYYHPD-JOCHJYFZSA-N 414.513 3.365 0 40 HGAB Cc1cccc(CCNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)c1 1361931 FQEWQXDERZSJEY-SFHVURJKSA-N 420.962 3.408 0 40 HGAB CC(=O)Nc1ccc(S(=O)(=O)Oc2noc3ccc(Br)cc23)cc1 1582850 SHVTUHIKGCSYSI-UHFFFAOYSA-N 411.233 3.316 0 40 HGAB COc1ccc([C@H]2C[C@H](c3ccccc3)Nc3nc(N4C(=O)CCC4=O)nn32)cc1 2425503 FBYLKHGXVAEKFX-QZTJIDSGSA-N 403.442 3.086 0 40 HGAB C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(F)cc3F)cc2)C[C@@H](C)O1 3203335 UQOLMNSQHVHIPD-CHWSQXEVSA-N 410.442 3.015 0 40 HGAB O=C(COC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12)NC[C@@H]1CCCO1 3241880 YFARIZPLDNVMNO-KRWDZBQOSA-N 408.429 3.493 0 40 HGAB COc1cc(C(=O)Nc2nnc(C)s2)ccc1OCC(=O)Nc1ccc(F)cc1 3344035 XAFMPYKJQLVBQU-UHFFFAOYSA-N 416.434 3.264 0 40 HGAB CC(C)[C@H](C(=O)OCC(=O)c1c[nH]c2ccccc12)N1C(=O)c2ccccc2C1=O 3355250 OYFFZLPRMPTRIR-HXUWFJFHSA-N 404.422 3.215 0 40 HGAB COC[C@H](C)n1c(C)cc(C(=O)COC(=O)c2ccc3c(c2)NC(=O)CS3)c1C 3362247 SUFFQJSFEGGTBK-ZDUSSCGKSA-N 416.499 3.396 0 40 HGAB CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)CC(=O)Nc1ccc2c(c1)OCO2 3541252 YFCFNOUAZXGNAB-UHFFFAOYSA-N 410.257 3.231 0 40 HGAB C[C@]1(c2ccccc2Cl)NC(=O)N(CC(=O)N[C@@H]2CCCc3ccccc32)C1=O 3593462 MMXMWNLTRNSXJU-XMSQKQJNSA-N 411.889 3.301 0 40 HGAB CC(C)(C)c1nn2c(SCC(=O)c3ccc(Cl)c(Cl)c3)nnc2[nH]c1=O 4251425 DFJRKTGAGZZRMQ-UHFFFAOYSA-N 412.302 3.392 0 40 HGAB O=C(NCc1cccs1)C(=O)NC[C@@H](c1cccs1)N1CCc2ccccc21 4305670 INRIOJUJWBWJJV-SFHVURJKSA-N 411.552 3.346 0 40 HGAB COc1ccc(OCc2nnc(SCC(=O)NC3CCCCCC3)n2C)cc1 4947526 IAYSHUQLGZMGKC-UHFFFAOYSA-N 404.536 3.334 0 40 HGAB CCN(CC)C(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccc(C)cc1 4996097 ZZPXAQAVAPYFES-UHFFFAOYSA-N 404.532 3.376 0 40 HGAB CCC[C@H](C)NC(=O)COC(=O)[C@@H](NC(=O)Cc1cccc2ccccc12)C(C)C 5233276 IVFYEKWFFCDJHL-SBUREZEXSA-N 412.530 3.371 0 40 HGAB Cc1cccc(NC(=O)[C@H](C)OC(=O)c2sc3nc4n(c(=O)c3c2C)CCC4)c1 5246812 QBIMGOPNSGRXPY-ZDUSSCGKSA-N 411.483 3.205 0 40 HGAB CC(=O)Nc1ccc(-c2ccc(=O)n3c2[C@@H]2C[C@@H](CN(C(=O)c4ccco4)C2)C3)cc1 5437744 BBSAEBHBKVYQQP-FUHWJXTLSA-N 417.465 3.326 0 40 HGAB biogenic,in-vitro N#C/C(=C\c1cc(Br)ccc1OCc1cccc([N+](=O)[O-])c1)C(N)=O 5861005 MNFILSGTCKJCRI-NTUHNPAUSA-N 402.204 3.329 0 40 HGAB Cc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(CCc3ccccc3)C2)cc1Cl 6150482 VZFJHEKRAMPESH-QGZVFWFLSA-N 414.889 3.221 0 40 HGAB CCCNC(=O)[C@@H]1Sc2nnc(-c3ccccc3)n2N[C@H]1c1ccc(OC)cc1 6721067 MCCDMPJJWFASHC-ZWKOTPCHSA-N 409.515 3.239 0 40 HGAB CCN(C[C@@H]1COc2ccccc2O1)C(=O)CSc1nnc(C2CC2)n1C1CC1 7550814 MSDDMGWUHBASKE-MRXNPFEDSA-N 414.531 3.271 0 40 HGAB COCCOc1ccccc1C(=O)Nc1ccc(S(=O)(=O)NC(C)(C)C)cc1 8722987 ZTPIYHIZXBILMA-UHFFFAOYSA-N 406.504 3.041 0 40 HGAB CCCNc1nc(SCC)nc2c1cnn2CCNC(=O)c1ccc(F)cc1 8947844 NFOAEQCURAEZGB-UHFFFAOYSA-N 402.499 3.329 0 40 HGAB Cn1cccc1C[C@@H]1[C@@H](O)c2ccccc2S(=O)(=O)N1CCCc1ccccc1 8991576 XILLMNSWSOWDAO-GGAORHGYSA-N 410.539 3.307 0 40 HGAB CCCCNc1nnc(SCC(=O)NCC(=O)Nc2cccc(C)c2C)s1 9174379 BZUGVEQVJCUZDO-UHFFFAOYSA-N 407.565 3.214 0 40 HGAB O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)c1cc2ccccc2o1 9561701 MCXARQSXXCARRS-UHFFFAOYSA-N 420.874 3.359 0 40 HGAB O=C(NCc1nnnn1-c1ccc(F)cc1)c1cc(Br)ccc1Cl 9571015 ICTIZKMELSFIGY-UHFFFAOYSA-N 410.634 3.147 0 40 HGAB COc1ccc(C)cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc2cccc(C)c2)C1 9974732 BOPQLVTXMHYDKJ-KRWDZBQOSA-N 402.516 3.351 0 40 HGAB Cc1cc(C)cc(-n2c(-c3ccc(F)cc3)cn3c4c(=O)n(C)c(=O)n(C)c4nc23)c1 10104570 DJMDUXFEQPJFPZ-UHFFFAOYSA-N 417.444 3.099 0 40 HGAB CS(=O)(=O)c1ccc(CC(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)cc1 10252665 NZDOPYVEUSXLDE-UHFFFAOYSA-N 416.480 3.124 0 40 HGAB Cc1nc2nc(N)nn2c(C)c1CCC(=O)N[C@H](CC(C)C)c1nc2ccccc2[nH]1 10960091 RMXVLJPKVYRZPJ-GOSISDBHSA-N 420.521 3.036 0 40 HGAB O=C(Nc1ccc(N2CCCC2=O)c(Cl)c1)[C@@H]1CCCN1C(=O)c1ccco1 11251320 GPTFHQUDHCFQSK-INIZCTEOSA-N 401.850 3.303 0 40 HGAB Cc1cccc(CC(=O)N2CCC(c3cc(C(F)(F)F)n4ncnc4n3)CC2)c1 12188518 PPIPLOVAQQXBBP-UHFFFAOYSA-N 403.408 3.400 0 40 HGAB CC(=O)N(c1nnc(S[C@@H](C)C(=O)Nc2ccc(N(C)C)cc2)s1)C1CC1 12545644 OPJHEFWNVBVXTI-NSHDSACASA-N 405.549 3.239 0 40 HGAB COc1ccc(-c2cc(CNC(=O)/C=C\c3ccc4c(c3)OCO4)no2)cc1OC 12638767 ODYGTOFTJYBNHK-YWEYNIOJSA-N 408.410 3.417 0 40 HGAB CCCCCCNC(=O)c1cccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)c1 12728422 XYUBVJSEWKATPK-UHFFFAOYSA-N 418.515 3.204 0 40 HGAB C[C@@H](NC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1)c1ccc2c(c1)OCCO2 12746448 NQOWDJSOLCEZMK-LLVKDONJSA-N 409.269 3.372 0 40 HGAB COc1cccc(NC(=O)CCCCCNC(=O)N2CC(=O)Nc3ccccc32)c1 13624792 HLDQPZZWLKIGSN-UHFFFAOYSA-N 410.474 3.362 0 40 HGAB CCOc1ccc(NC(=O)CN(CC)S(=O)(=O)c2ccc(OCC)cc2)cc1 13633308 ANPNOLXSPRTNMO-UHFFFAOYSA-N 406.504 3.133 0 40 HGAB CC(C)(C)C(=O)N1CCc2ccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)cc21 13696496 FUFYPJBVZGCFOV-UHFFFAOYSA-N 416.499 3.194 0 40 HGAB CC(=O)NC12C[C@H]3C[C@@H](C1)CC(C(=O)O[C@H](C)C(=O)Nc1ccc(C)c(F)c1)(C3)C2 16826885 MQBHEISVGGKSKY-PSUPBEEBSA-N 416.493 3.479 0 40 HGAB C[C@H](C(=O)NCCn1ncc(-c2cnccn2)c1-c1cccs1)N1CCCCC1 19080253 SIVANCYIBBKWSC-MRXNPFEDSA-N 410.547 3.059 0 40 HGAB COc1ccc2c(CN3CCN(Cc4ccc(OC)c(OC)c4)CC3)cc(=O)oc2c1 19540674 MCBVXWRACBFLQS-UHFFFAOYSA-N 424.497 3.137 0 40 HGAB Cc1[nH]c2c(C)ccc(C)c2c1CC(=O)NC[C@H](c1cccnc1)N1CCOCC1 19716820 GYRQFCBDCXGMHE-OAQYLSRUSA-N 406.530 3.220 0 40 HGAB CCOc1cc(/C=C2/NC(=O)N(CC)C2=O)ccc1OCc1ccc(C(=O)O)cc1 20058639 QSQKYVRMPROTOF-GZTJUZNOSA-N 410.426 3.275 0 40 HGAB CC[C@@H](C)NC(=O)c1cc(OC)c(OC)cc1N(Cc1ccccc1)S(C)(=O)=O 22253227 UIMCVJVPWPLCDV-OAHLLOKOSA-N 420.531 3.198 0 40 HGAB COc1cc(OC)cc(N2C(=O)[C@@H]3[C@@H](N=NN3c3ccc(C)c(Cl)c3)C2=O)c1 23125754 SQHSTPRZBMRPDB-SJORKVTESA-N 400.822 3.163 0 40 HGAB O=C(COc1cccc(C(F)(F)F)c1)NCc1ccccc1CN1CCOCC1 24378800 FZZZHMKOPQSGDD-UHFFFAOYSA-N 408.420 3.233 0 40 HGAB O=C(COc1c(F)c(F)c(F)c(F)c1F)N1CCN(Cc2ccccc2)CC1 27020217 JJWLTZVDVPXLMM-UHFFFAOYSA-N 400.347 3.105 0 40 HGAB COc1ccc(CN(C)C(=O)Cc2cc(Cl)cc3c2OCOC3)c(OC)c1OC 29755632 BLUVVWSUFOZCFL-UHFFFAOYSA-N 421.877 3.433 0 40 HGAB CC(=O)NC12C[C@H]3C[C@@H](C1)CC(C(=O)N1CCO[C@@H](c4ccc(F)cc4)C1)(C3)C2 32769669 VUXWGLKVNHPYSS-HWBROZDJSA-N 400.494 3.201 0 40 HGAB CN(Cc1ccc(Br)cc1)C(=O)NCc1ccc(-n2cccn2)nc1 32802673 AFLOCZDSIXUFEU-UHFFFAOYSA-N 400.280 3.371 0 40 HGAB O=C(NCc1ccc(N2CCCC2=O)cc1)NC1CCN(Cc2ccccc2)CC1 32862688 BWYLZWSBBBKQEA-UHFFFAOYSA-N 406.530 3.277 0 40 HGAB Cc1cc(N(C)C)ccc1NC(=O)Cc1c(C)nc2nc(C(F)(F)F)nn2c1C 40111595 IVVLFABDJLWUEC-UHFFFAOYSA-N 406.412 3.316 0 40 HGAB COc1cc(OC)cc([C@@H]2c3[nH]cnc3CCN2C(=O)Nc2ccc(C(=O)O)cc2)c1 40312558 VPXPZYQYFHJKBI-HXUWFJFHSA-N 422.441 3.305 0 40 HGAB biogenic COc1c(-n2nc3ccccc3n2)cc(C)cc1S(=O)(=O)NCc1ccccc1 41107902 RCZYPUUWHXNSPF-UHFFFAOYSA-N 408.483 3.216 0 40 HGAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1cc2sccc2n1Cc1ccc(Cl)cc1 44890135 ZSHWMQQAXMTMBG-CQSZACIVSA-N 408.932 3.321 0 40 HGAB COC(=O)CCCNc1ncc(Br)c(C(=O)Nc2ccccc2C)n1 46087025 QASQRLULJGERCR-UHFFFAOYSA-N 407.268 3.165 0 40 HGAB CCc1noc(CN2Cc3ccccc3C[C@@H]2C(=O)NCCc2ccc(F)cc2)n1 48299949 RUGAGNHGKCIIQG-HXUWFJFHSA-N 408.477 3.057 0 40 HGAB O=S(=O)(Cc1cc(Cl)c2c(c1)OCCO2)Cc1nc(Cc2ccccc2)no1 48303721 UZSNEYMIRAQTDD-UHFFFAOYSA-N 420.874 3.200 0 40 HGAB COc1ccc(NC(=O)c2nn(-c3cccc(F)c3)c(OC)cc2=O)cc1Cl 49407632 RQUXIDFFEIEJFJ-UHFFFAOYSA-N 403.797 3.295 0 40 HGAB CN1CCN(c2ccc(C(=O)N[C@@H]3CCOc4c(Cl)cccc43)cc2F)CC1 57265200 ARHKKWAGNSYJII-GOSISDBHSA-N 403.885 3.485 0 40 HGAB NC(=O)COc1ccc(C(=O)N2CCC[C@H]2c2cccc(Br)c2)cc1 69324303 CQPPXWITIOLTMX-KRWDZBQOSA-N 403.276 3.291 0 40 HGAB CCOc1ccc(S(=O)(=O)NC[C@@H](O)c2ccc(C(F)(F)F)cc2)cc1C 70640143 WGCVUWGQVZEZGE-MRXNPFEDSA-N 403.422 3.424 0 40 HGAB Cc1cccc(N2CCN(C[C@H]3C(=O)O[C@@H]4CC5=CCC[C@H](C)[C@@]5(C)[C@@H](O)[C@H]34)CC2)c1 70680923 VPMFYHWUKMLBMB-LFBVJSBHSA-N 424.585 3.402 0 40 HGAB O=C1CN(c2ccc(NC(=O)[C@H]3C[C@@H]3c3cccc(Cl)c3Cl)cn2)CCN1 78876062 SOJTYIKDTJQJEQ-KGLIPLIRSA-N 405.285 3.067 0 40 HGAB C[C@@H]1C[C@H]1C(=O)N1CCN(C(=O)CCSc2ccc(Br)cc2)CC1 89920402 SSGZNEQBPSKHMI-CZUORRHYSA-N 411.365 3.258 0 40 HGAB COC(=O)N1CCc2ccc(NS(=O)(=O)c3ccc(OC)c(Cl)c3)cc2C1 96096312 UKSHMMXMNDHQLX-UHFFFAOYSA-N 410.879 3.274 0 40 HGAB COc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)Nc3ncc(C)s3)CC2)cc1 101503576 HKELKAGDUYNGEX-GASCZTMLSA-N 423.560 3.184 0 40 HGAB CNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CCc1ccc2c(c1)OCCO2 222531321 PJCZPADMJCIRSL-OAHLLOKOSA-N 416.905 3.207 0 40 HGAB CC[C@H](C(=O)N[C@@H](C)c1cc(OC)ccc1OC)N(c1ccccc1)S(C)(=O)=O 223088727 ZFIBUKRQXPTKAM-HNAYVOBHSA-N 420.531 3.126 0 40 HGAB CC(C)c1ccccc1OCCNC(=O)[C@H](C)N(c1cccc(F)c1)S(C)(=O)=O 223802055 RLJRPGJFGKIMFM-INIZCTEOSA-N 422.522 3.299 0 40 HGAB O=C(O)CN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccc2c(c1)OCCO2 224831057 XFWMTRCBHIYQLB-UHFFFAOYSA-N 418.254 3.045 0 40 HGAB COC(=O)c1ccc(C)c(S(=O)(=O)NCc2ccccc2CN2CCCCC2)c1 224850517 XIGVJMGHDXLLQY-UHFFFAOYSA-N 416.543 3.246 0 40 HGAB Cc1cccc(N([C@@H](C)C(=O)Nc2ccc(N3CCCC3)cc2)S(C)(=O)=O)c1 224929479 LSPPHIMCGJOUNO-KRWDZBQOSA-N 401.532 3.388 0 40 HGAB CC[C@@H](NC(=O)CN(C)S(=O)(=O)c1ccc(OC)cc1)c1ccc(C)c(C)c1 225296737 MRDOEWBFKRWFEA-HXUWFJFHSA-N 404.532 3.200 0 40 HGAB O=C(Cn1ccc2ccccc21)N1CCC(Cc2n[nH]c(=O)n2-c2cccs2)CC1 225545382 PCOYKMFDYKDFTB-UHFFFAOYSA-N 421.526 3.058 0 40 HGAB Cc1ccccc1CSCCNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 225566875 JRLPBZRZLJQBGW-UHFFFAOYSA-N 418.584 3.443 0 40 HGAB COc1cccnc1NC(=S)NCc1nc(-c2cccc(Br)c2)no1 225826572 OQHCWXKHVAICPZ-UHFFFAOYSA-N 420.292 3.389 0 40 HGAB O=C(c1cc(O)nc(O)n1)N1CCC[C@H]1c1ncc(Cc2ccccc2Cl)o1 257207360 BHKFTFHGXRWUBX-HNNXBMFYSA-N 400.822 3.097 0 40 HGAB CN(CCC(=O)N1CCC[C@@H]1c1nc(Cc2ccc(F)cc2)n[nH]1)Cc1cccnc1 257303445 SHGVTTGNAFRUSG-HXUWFJFHSA-N 422.508 3.115 0 40 HGAB Cc1ccc(C(=O)O)c(NC(=O)c2cccc(N3C(=O)[C@H]4[C@H]5CC[C@@H](C5)[C@H]4C3=O)c2)c1 408674361 ZGQMJQVGKLUJCY-WZBLMQSHSA-N 418.449 3.481 0 40 HGAB Cc1cccc(C(=O)N[C@H](C)c2nnc(SCC(=O)Nc3ccccc3)n2C)c1 409139600 BJXOSVGLWNQAQV-OAHLLOKOSA-N 409.515 3.345 0 40 HGAB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C3\C(=O)Nc4ccccc43)C2=O)cc1 409170625 WQGHPYNBFMISHE-ZCXUNETKSA-N 423.450 3.083 0 40 HGAB Cc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc4c(c3)OCCO4)C2=O)cc1 409195983 LWGROUFBNXNREW-VCHYOVAHSA-N 410.451 3.441 0 40 HGAB COc1ccc(/C=C/C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c(OC)c1OC 409410916 AJSYYMCQCYIXGF-WYMLVPIESA-N 423.469 3.162 0 40 HGAB C[C@@H](CNC(=O)NCc1ccc(Oc2cccc3ccccc23)cc1)S(N)(=O)=O 512365555 AKQAAHCGQJHWBD-HNNXBMFYSA-N 413.499 3.108 0 40 HGAB COc1cc([C@H](CC(=O)NCCc2ccccc2)c2oc(C)cc(=O)c2O)ccc1O 524729156 GQPKLOSZARYZDZ-SFHVURJKSA-N 423.465 3.249 0 40 HGAB biogenic Cc1ccc(C(=O)N2CCC3(CC2)CC(=O)N(Cc2cc(C)on2)c2ccnn23)cc1 1772596366 APHMZMHVQSCAJD-UHFFFAOYSA-N 419.485 3.056 0 40 HGAB CCOc1cc(CN2CCO[C@@]3(CCCCN(C(C)C)C3=O)C2)c(C)cc1OC 2037984230 USXBLCJRCWQECB-QHCPKHFHSA-N 404.551 3.394 0 40 HGAB Cc1ccc(NC(=O)Cn2nnc(-c3ccccc3NC(=O)c3ccco3)n2)cc1 1372780 FBWRJCBEMHTTJI-UHFFFAOYSA-N 402.414 3.133 0 40 HGAB CC(C)[C@@H]1Cc2c(sc3nc(SCC(=O)Nc4ccccn4)nc(N)c23)CO1 1830163 NJOIAKDAJJWQES-LBPRGKRZSA-N 415.544 3.497 0 40 HGAB COc1ccc(CCNC(=O)CSCC(=O)NCc2cccc(Cl)c2)cc1 2634670 HPWAFHMDTZOZLE-UHFFFAOYSA-N 406.935 3.057 0 40 HGAB COc1ccccc1N1CCN([C@@H]2CC(=O)N(c3ccc4ccccc4c3)C2=O)CC1 2662382 IIIOOMKGDPDZRG-JOCHJYFZSA-N 415.493 3.303 0 40 HGAB Cc1ccc(S(=O)(=O)c2nnn3c2nc(NC[C@H]2CCCO2)c2ccccc23)cc1 2690472 QZNRFIVDGBRAHK-OAHLLOKOSA-N 423.498 3.010 0 40 HGAB O=C(c1ccc2c(=O)n3c(nc2c1)CCCCC3)N1CCN(c2ccc(F)cc2)CC1 3226123 AEKVTGDIDFGDJN-UHFFFAOYSA-N 420.488 3.224 0 40 HGAB CC(C)OCc1c(C(=O)OCC(=O)Nc2sccc2C(N)=O)oc2ccccc12 3380297 YLODAAYQHARESX-UHFFFAOYSA-N 416.455 3.314 0 40 HGAB Cc1cc(Br)ccc1NC(=O)COC(=O)c1cc(=O)[nH]c2ccccc12 3453306 ZOZBMDANNKLPCB-UHFFFAOYSA-N 415.243 3.395 0 40 HGAB CNC(=O)c1c(NC(=O)CCS(=O)(=O)c2ccccc2)sc2c1CCCCC2 4326525 VNAHCLJVOKMXBL-UHFFFAOYSA-N 420.556 3.179 0 40 HGAB COc1ccc(OC)c(S(=O)(=O)Nc2ccc(-c3cn4cccnc4n3)cc2)c1 4942731 NHWQOCSFVWAZRC-UHFFFAOYSA-N 410.455 3.214 0 40 HGAB Cc1nn(-c2ccccc2)c(Cl)c1C(=O)OCc1nc2ccsc2c(=O)[nH]1 5263267 VKOGGEGJXHIRQY-UHFFFAOYSA-N 400.847 3.489 0 40 HGAB Cc1cccc(O[C@@H](C)C(=O)N(Cc2ccccc2)[C@H]2CCS(=O)(=O)C2)c1C 5528917 LBQLKJCVCZHZNJ-ICSRJNTNSA-N 401.528 3.287 0 40 HGAB CC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C1CCCCC1 5977176 QIWCKGUTWRJMIE-UHFFFAOYSA-N 410.536 3.014 0 40 HGAB O[C@@H](COC(c1ccccc1)c1ccccc1)CN1CCN(c2ccccn2)CC1 6440918 IEGXBGGRCBAVOS-HSZRJFAPSA-N 403.526 3.371 0 40 HGAB COCCCNC(=O)COc1cc2c(c3oc(=O)c(C)c(C)c13)CCC(C)(C)O2 6623826 HHGGNKDDWPOEGR-UHFFFAOYSA-N 403.475 3.045 0 40 HGAB biogenic NS(=O)(=O)c1ccc(Br)c(C(=O)OCc2ccc(Cl)cc2)c1 6914553 DURDKRTUXXHRRD-UHFFFAOYSA-N 404.669 3.107 0 40 HGAB Cc1ccc(C)c(NC(=O)CN(C)C(=O)CSc2nnc(C3CC3)n2C2CC2)c1 7905050 NBELGGQHMDMACQ-UHFFFAOYSA-N 413.547 3.296 0 40 HGAB O=C(CSCc1ccccc1)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 7987158 HNVJTXDQKOSONO-LFIBNONCSA-N 416.568 3.065 0 40 HGAB O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1cc(Cl)c2c(c1)OCO2 8276582 BBMFZGMISXYRBS-UHFFFAOYSA-N 408.863 3.106 0 40 HGAB O=C(CCC(=O)OCC(=O)Nc1ccc(Br)cc1)Nc1ccccc1 8416152 GJZDAEWNKVSBEV-UHFFFAOYSA-N 405.248 3.350 0 40 HGAB C[C@H]1Cc2ccccc2N1C(=O)CN1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 8883484 HCZAZCFYGFUGKN-INIZCTEOSA-N 421.497 3.044 0 40 HGAB COc1ccc([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2ccc(F)cc2)cc1OC 9087222 NNOAEECYWHHCMT-SFHVURJKSA-N 401.463 3.274 0 40 HGAB COc1ccc(OC)c(-c2csc(NC(=O)c3nn(C)c(=O)c4ccccc34)n2)c1 9507414 YYIGLZBBYGYDHQ-UHFFFAOYSA-N 422.466 3.327 0 40 HGAB Cc1ccc(S(=O)(=O)CC(=O)Nc2ccccc2C(=O)NC2CCCCC2)cc1 9698693 PPHGNOWGEGZSJF-UHFFFAOYSA-N 414.527 3.470 0 40 HGAB Nc1c(C(=O)NCc2ccc(Cl)cc2)nnn1Cc1cccc(Br)c1 9749025 GSTKDEOHAUNXEW-UHFFFAOYSA-N 420.698 3.255 0 40 HGAB C[C@H](Sc1nnc(NCc2ccco2)s1)C(=O)Nc1sccc1C(N)=O 9779206 FKDHWCSWJRQREI-QMMMGPOBSA-N 409.518 3.023 0 40 HGAB Cc1ccc(-n2ccnc2N2CCN(CC(=O)Nc3ccc(F)cc3F)CC2)cc1 11695759 OJKPMKVWMZDKMX-UHFFFAOYSA-N 411.456 3.220 0 40 HGAB Fc1cccc(Cl)c1CSc1nnc(N2CCOCC2)n1C[C@H]1CCCO1 11762272 QTYZVIYNMXMHHP-CYBMUJFWSA-N 412.918 3.379 0 40 HGAB C[C@@H]1Cc2cc(C(=O)N3CCC[C@@H]3c3nc4ccccc4[nH]3)ccc2N1S(C)(=O)=O 12601486 QOSDZMXCZFBCHL-JLTOFOAXSA-N 424.526 3.251 0 40 HGAB O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(=O)n(CCOc2ccccc2)n1 12846550 DQFVBXRLXAKOPU-UHFFFAOYSA-N 419.359 3.473 0 40 HGAB CCc1ccc(-n2c(SCCN3C(=O)CCC3=O)nc3ccccc3c2=O)cc1 12916303 GOJCRZVWILMOFD-UHFFFAOYSA-N 407.495 3.189 0 40 HGAB O=C(Nc1cccc(S(=O)(=O)NC2CC2)c1)c1ccc(F)cc1Br 12933400 QTFFXMKOIUZSMS-UHFFFAOYSA-N 413.268 3.281 0 40 HGAB CCN(CC(=O)Nc1cc2c(cc1Cl)OCO2)C[C@H]1COc2ccccc2O1 12971940 QLSTYQCVMOMCBL-ZDUSSCGKSA-N 404.850 3.169 0 40 HGAB CCOc1ccc(NC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)cc1 13145298 CSYRKYNBKLKZFW-UHFFFAOYSA-N 400.456 3.409 0 40 HGAB COc1ccc(S(=O)(=O)Nc2ccc(OC(C)C)cc2)cc1C(=O)NC(C)C 13681637 JNCVKSADCZASFP-UHFFFAOYSA-N 406.504 3.421 0 40 HGAB O=C1CN(C(=O)c2ccccc2Cl)C[C@@H](OCC2CC2)CN1Cc1cccnc1 14533819 GZROGXGNVKTDNT-SFHVURJKSA-N 413.905 3.015 0 40 HGAB Cc1ccc(S(=O)(=O)N(C[C@H](O)CNCc2ccco2)c2ccc(F)cc2)cc1 16839646 CTHWBGLHCAIOBR-LJQANCHMSA-N 418.490 3.073 0 40 HGAB NC(=O)C1CCN(C(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)CC1 16850119 YPJHQKMQIBYSMX-UHFFFAOYSA-N 412.437 3.172 0 40 HGAB CCCn1c(=O)n(CC(=O)OCC(=O)Nc2ccc(F)cc2Cl)c2ccccc21 17246088 GBKZNEOMJUYWNW-UHFFFAOYSA-N 419.840 3.187 0 40 HGAB O=C(Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)N=c1[nH]c2ccccc2[nH]1 17304474 FBKIRWSLZWSUOA-UHFFFAOYSA-N 424.457 3.106 0 40 HGAB O=C(COc1ccc(Cl)cc1)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 18160238 MCTBEOCSWQNUBR-UHFFFAOYSA-N 422.934 3.210 0 40 HGAB OCCN[C@@H]1c2cc(-c3ccc(F)cc3)cnc2Sc2nc(-c3ccncc3)nn21 19336737 OJRUSYDMRJWPJN-IBGZPJMESA-N 420.473 3.135 0 40 HGAB CC(C)n1cnc2cc(C(=O)N3CCO[C@H](c4nc(-c5cccnc5)no4)C3)ccc21 19455002 NFXOENOVTIFLKI-IBGZPJMESA-N 418.457 3.276 0 40 HGAB COc1cc(CN[C@@H]2CCC(=O)N[C@H]2c2ccc(F)cc2F)cc(OC)c1OC 19549926 JOADMUYGBKAIBJ-UZLBHIALSA-N 406.429 3.100 0 40 HGAB C[C@@H](CN(C)C(=O)c1ccc(C2CCN(S(C)(=O)=O)CC2)nc1)c1ccccc1 19708075 OQAVALMOGALNHD-KRWDZBQOSA-N 415.559 3.096 0 40 HGAB Cn1cc(C(N)=O)c(CC2CCN(C(=O)c3cccc(Oc4ccccc4)c3)CC2)n1 19756432 KKHMLCHIRGFOIU-UHFFFAOYSA-N 418.497 3.406 0 40 HGAB CCc1ccc(NC(=O)Cn2c(=O)cc(C(=O)N3CCCC3)c3ccccc32)cc1 20192536 WRFAYPQQMNUUMR-UHFFFAOYSA-N 403.482 3.439 0 40 HGAB CCCOc1ccc(N(CC(=O)N[C@H](C)c2ccc(F)cc2)S(C)(=O)=O)cc1 22397769 CFFSXUVWIXGKKM-OAHLLOKOSA-N 408.495 3.258 0 40 HGAB C[C@@]1(NC(=O)COc2ccc(Cl)cc2Cc2ccccc2)CCS(=O)(=O)C1 24035507 AVVPTYUKUMNUQT-HXUWFJFHSA-N 407.919 3.003 0 40 HGAB Cc1c(C)c(C)c(S(=O)(=O)NCCC(=O)N2CCc3ccccc3C2)c(C)c1C 28651829 PHWDGKWNVBQKAS-UHFFFAOYSA-N 414.571 3.482 0 40 HGAB CCOC(=O)[C@@H]1CSCCN1C(=O)Cc1csc(-c2ccc(OCC)cc2)n1 30253176 RSGHWWGYENIZRH-KRWDZBQOSA-N 420.556 3.258 0 40 HGAB COc1ccc([C@H](C)NC(=O)CN(c2cccc3ccccc23)S(C)(=O)=O)cc1 30754213 XTMBYVWADJRLIY-INIZCTEOSA-N 412.511 3.492 0 40 HGAB CCC(CC)CN(CC)S(=O)(=O)c1cc2c(cc1Br)NC(=O)CO2 32442752 UXOCXIAJYAKVAN-UHFFFAOYSA-N 419.341 3.227 0 40 HGAB Cc1ccc(N2C(SCCOc3ccccc3)=N[C@H]3CS(=O)(=O)C[C@H]32)cc1C 32640625 MRBFRXGEWPVJCO-VQTJNVASSA-N 416.568 3.457 0 40 HGAB CC(=O)c1cccc(N2C(SCc3ccccc3F)=N[C@H]3CS(=O)(=O)C[C@H]32)c1 32641161 UCMLZEAZFDYAFO-RBUKOAKNSA-N 418.515 3.303 0 40 HGAB COc1ccccc1[C@@H](CNC(=O)C1CCN(C(=O)c2ccsc2)CC1)N(C)C 32695600 HJFJNULCKSDYIJ-LJQANCHMSA-N 415.559 3.028 0 40 HGAB O=C(Nc1nc2ccccc2[nH]1)c1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1 32721821 CEYUESMBDPFBNR-UHFFFAOYSA-N 417.450 3.376 0 40 HGAB COc1ccc(-c2nc(CSCC(=O)N3CCO[C@H](C)C3)cs2)cc1OC 32779077 YCCLEOQOEYIJSC-CYBMUJFWSA-N 408.545 3.308 0 40 HGAB CC(C)(C)c1ccc(S(=O)(=O)NCCN2CCO[C@@H](c3ccccc3)C2)cc1 36700119 CSBVVNWGDILIEW-OAQYLSRUSA-N 402.560 3.336 0 40 HGAB COc1ccc([C@H](CNC(=O)c2cccc3c2O[C@@H](C)[C@H]3C)N2CCOCC2)cc1 37224409 ASOAMRLFVVVEDX-JLHGSKIFSA-N 410.514 3.383 0 40 HGAB COCC(=O)N[C@@H](C)C(=O)Nc1ccc(OC(F)F)c(-c2ccc(OC)cc2)c1 40086610 FNDHIZKHXQUHOZ-LBPRGKRZSA-N 408.401 3.053 0 40 HGAB C[C@@H](NC(=O)c1cc(-c2ccccc2Cl)on1)c1ccc(S(N)(=O)=O)cc1 40086968 BZGHRLQKPFOEBN-LLVKDONJSA-N 405.863 3.133 0 40 HGAB O=C(Cn1cncn1)Nc1cc(NC(=O)c2ccc(Br)cc2)ccc1F 40114634 QZQIGNPIYTUBLQ-UHFFFAOYSA-N 418.226 3.071 0 40 HGAB C[C@@]1(c2cccc(NC(=O)c3cc(C4CC4)nn3-c3ccccc3)c2)NC(=O)NC1=O 40117838 IHRXKNTVOYXNLU-QHCPKHFHSA-N 415.453 3.057 0 40 HGAB CC(=O)N1c2ccc(S(=O)(=O)Nc3ccc(-c4csnn4)cc3)cc2C[C@H]1C 40158009 MPEHQGSJLHOVIK-GFCCVEGCSA-N 414.512 3.303 0 40 HGAB CCOc1cccc(NC(=O)[C@H]2CCN(S(C)(=O)=O)c3cc(Cl)ccc3O2)c1 44911348 PBZFEWLOOZFNMF-GOSISDBHSA-N 424.906 3.295 0 40 HGAB CCS(=O)(=O)Nc1cccc(C(=O)N(C)Cc2ccccc2N2CCCC2)c1 47639964 CXANREIHMMUCNU-UHFFFAOYSA-N 401.532 3.321 0 40 HGAB O=C(Cc1ccc(OC(F)(F)F)cc1)NC[C@@H](c1cccs1)N1CCOCC1 48091850 PJGMJFSDSDGVPB-INIZCTEOSA-N 414.449 3.379 0 40 HGAB COC(=O)c1cc(-c2csc(NC(=O)Cc3ccc(-n4cccn4)cc3)n2)c[nH]1 48236125 FFTNSRCTWRLOAM-UHFFFAOYSA-N 407.455 3.292 0 40 HGAB Cc1cc(N2CCN(C(=O)Nc3nnc(-c4ccccn4)s3)CC2)nc(C(C)C)n1 48340749 GFKYLFKJHZIUFS-UHFFFAOYSA-N 424.534 3.176 0 40 HGAB C[C@H](C(=O)Nc1ccccc1-c1ccccc1)N1CCC(N(C)S(C)(=O)=O)CC1 48355103 ASXVEHWJAYDBCT-QGZVFWFLSA-N 415.559 3.036 0 40 HGAB Cc1ccc([C@H]2NC(=O)N(CC(=O)Nc3ccc(C)c(C)c3)C3=C2C(=O)OC3)cc1 49402830 GMWBLHGCFSJQJV-OAQYLSRUSA-N 405.454 3.128 0 40 HGAB CCc1ccc(-n2cc(C(=O)N3CCC(NC(=O)c4ccccc4F)CC3)nn2)cc1 49406453 UCUTVCKOVZOHFX-UHFFFAOYSA-N 421.476 3.003 0 40 HGAB CC(=O)Nc1cccc2c1CCCN2C(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1 54271128 PPMUJDXOQMKPBM-LJQANCHMSA-N 405.498 3.015 0 40 HGAB Cn1cc(-c2nc(C(=O)NCC3(c4cccc(F)c4)CCOCC3)cs2)cn1 55452760 YGMAOUIRDSEFDO-UHFFFAOYSA-N 400.479 3.161 0 40 HGAB CC[C@H](C)NC(=O)CSc1nc2ccsc2c(=O)n1-c1ccccc1OC 57487619 SXZVBWIDJADILY-LBPRGKRZSA-N 403.529 3.463 0 40 HGAB Cc1cccc(C)c1NC(=O)Cn1c(-c2ccc(F)cc2)nc(C)c(CCO)c1=O 67300931 NSEHAOPPYIOCIW-UHFFFAOYSA-N 409.461 3.148 0 40 HGAB COc1ccc([C@@H](C)NC(=O)c2sccc2NC(=O)c2cnccn2)cc1OC 67335596 DSCHVSWFWUYCBL-GFCCVEGCSA-N 412.471 3.299 0 40 HGAB O=C(CN1CCN(Cc2cccs2)CC1)N1c2ccccc2NC(=O)C12CCCC2 69950467 KWLKLZAXWZGQAS-UHFFFAOYSA-N 424.570 3.164 0 40 HGAB CCS(=O)(=O)Nc1cccc(C2=NN(C(C)=O)[C@H](c3cccc(OC)c3)C2)c1 79112256 UAYHOSAJFUFJDE-FQEVSTJZSA-N 401.488 3.154 0 40 HGAB Cc1cc(NC(=O)c2sc3cccc(F)c3c2C)n([C@@H]2CCS(=O)(=O)C2)n1 84102016 IXYJBHSBJXLURO-GFCCVEGCSA-N 407.492 3.466 0 40 HGAB CC[C@@H](C)N(CC(=O)OC(C)(C)C)C(=O)CS[C@@H](C)C(=O)Nc1cc(C)on1 84721869 JYLMQDJAUBQLBB-OCCSQVGLSA-N 413.540 3.012 0 40 HGAB C[C@@H](NC(=O)c1cc(=O)[nH]c2c(Br)cccc12)[C@@H](O)Cc1ccccc1 89598416 KQHPRAQUXZBYSK-PXAZEXFGSA-N 415.287 3.013 0 40 HGAB C[C@H](Cc1ccsc1)NC(=O)CCN1C(=O)c2ccc(Br)cc2C1=O 89904294 AHTVGTFZZCFCOU-LLVKDONJSA-N 421.316 3.244 0 40 HGAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCCCCN1CCC[C@H]1CO 95428338 XGOSXZDPRLMINA-AWEZNQCLSA-N 409.889 3.409 0 40 HGAB COc1cc2c(cc1OC)CC(=O)N(CC(=O)Nc1ccc(F)c(F)c1F)C=C2 95477358 LMRQGEUVRWPOMS-UHFFFAOYSA-N 406.360 3.115 0 40 HGAB Cc1cc2nc(C)c(CCC(=O)N3CCC4(CC3)C[C@H]4CN3CCCC3)c(C)n2n1 95982776 PEOYGDQBNUUCKV-FQEVSTJZSA-N 409.578 3.312 0 40 HGAB CS(=O)(=O)Cc1ccc(Cl)cc1S(=O)(=O)N[C@@H](c1ccccc1)C1CC1 95984028 YMSSQOVVDPFLJA-SFHVURJKSA-N 413.948 3.314 0 40 HGAB Cc1cccc(C)c1N(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@H]2C1=O)C(=O)C(F)(F)F 100396369 NAYGKMWJHAHOFD-IZKTWJBDSA-N 418.415 3.209 0 40 HGAB O=C(CN1C(=O)[C@H]2CCCC2=Nc2ccccc21)N1CCN(c2ccccc2F)CC1 101945646 UMXUXFWEISHECS-KRWDZBQOSA-N 420.488 3.394 0 40 HGAB COc1cccc(N([C@@H](C)C(=O)NCCSC2CCCCC2)S(C)(=O)=O)c1 220167705 SGDDNWSSRCCQTN-HNNXBMFYSA-N 414.593 3.032 0 40 HGAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1nccs1 223606788 VAPMVJUBBRUSJO-ZWKOTPCHSA-N 413.572 3.301 0 40 HGAB COc1ccccc1[C@@H](C)NC(=O)CN(c1ccc(C(C)C)cc1)S(C)(=O)=O 223822202 MAZYCLJXZIJCGO-MRXNPFEDSA-N 404.532 3.462 0 40 HGAB Cc1cc(N2CCN(c3ccccc3)CC2)nc(NC(=S)NCc2ccco2)n1 225913306 ZSQKZNNSQDWCSE-UHFFFAOYSA-N 408.531 3.191 0 40 HGAB CO[C@H]1CN(CC(=O)Nc2nc(-c3ccc(C)cc3)cs2)CC[C@@]12CCCO2 257221012 DNDZKCHTJJVTPY-RXVVDRJESA-N 401.532 3.327 0 40 HGAB Cc1cccc([C@@]2(C(N)=O)CCCN2Cc2cccc(OCc3ccccn3)c2)n1 257280562 OLJPRYQERCICNS-XMMPIXPASA-N 402.498 3.341 0 40 HGAB CC(C)CN1C(=O)C2(CCN(C(=O)c3cnccn3)CC2)C[C@@H]1Cc1ccc(F)cc1 257302803 SEMJVTYDRZKJNE-FQEVSTJZSA-N 424.520 3.338 0 40 HGAB COc1cccc(CN2C[C@H]3[C@@H](C2)N(Cc2csc(C)n2)C(=O)c2cccn23)c1 306126193 DPESYCFYQLYJHI-LEWJYISDSA-N 408.527 3.343 0 40 HGAB O=C(c1cccc(OC(F)(F)F)c1)N1CCC(n2cnc3ncccc3c2=O)CC1 390830713 MTYNANPNZMCXTL-UHFFFAOYSA-N 418.375 3.167 0 40 HGAB CCCCCNC(=O)C1CCN(S(=O)(=O)c2cc(Cl)ccc2OCC)CC1 408557916 OTMFEYKIBWVNDZ-UHFFFAOYSA-N 416.971 3.446 0 40 HGAB COc1ccc(Cl)cc1S(=O)(=O)N[C@H](C)C(=O)Nc1cccc(Cl)c1 408608299 OYZGYGPWTKGIBP-SNVBAGLBSA-N 403.287 3.308 0 40 HGAB COc1ccccc1CNC(=O)c1ccccc1NC(=O)C(=O)NC1CCC(C)CC1 408710026 LVNXEJPBNZYMFK-UHFFFAOYSA-N 423.513 3.259 0 40 HGAB Cc1cccc(C(=O)N[C@@H](C)c2nnc(SCC(=O)Nc3ncccc3C)n2C)c1 409129004 JRMFOFXACUTZEH-HNNXBMFYSA-N 424.530 3.049 0 40 HGAB COc1ccc(/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)cc1 409214044 XECBNBGOMVTWIE-UNOMPAQXSA-N 408.479 3.316 0 40 HGAB C[C@]1(c2ccc(CNC(=O)[C@H]3C[C@H]3c3cccc4ccccc34)cc2)NC(=O)NC1=O 517396800 NTLFOUIEACNOEL-STWLZBDKSA-N 413.477 3.314 0 40 HGAB COc1cccc(C2(CNC(=O)N3CCNC(=O)[C@H]3c3ccccc3)CCCC2)c1 518152031 UHPNGBSDJXIKEF-OAQYLSRUSA-N 407.514 3.390 0 40 HGAB C[C@H](Nc1cc(N[C@H](C)[C@@H](O)Cc2ccccc2)ncn1)[C@@H](O)Cc1ccccc1 534179683 KTXSPVVZYOCFIB-UDKICSLYSA-N 406.530 3.285 0 40 HGAB CCC[C@H](C)N1C[C@H]2C(=O)NC3(CCN(C(=O)c4ccc(Cl)c(F)c4)CC3)[C@H]2C1 585106316 SLZDKCLCGIXQDX-UAGQMJEPSA-N 421.944 3.320 0 40 HGAB Cc1cc(C)nc(-n2nc(C)c(CC(=O)NC3(c4ccccc4)CCOCC3)c2C)n1 602011320 DPJOVZKQYSOEHX-UHFFFAOYSA-N 419.529 3.261 0 40 HGAB CC(C)(C)CC(=O)N[C@H]1[C@H](c2cccs2)N(Cc2cncnc2)CC[C@@]1(C)O 604383341 XIMJFGICRUZHEM-IRFCIJBXSA-N 402.564 3.157 0 40 HGAB biogenic,in-vitro O=C(CC1(N2Cc3ccccc3C2=O)CCOCC1)NCCn1ccc2ccccc21 1565524614 PDPNICBWEZCRJH-UHFFFAOYSA-N 417.509 3.353 0 40 HGAB O=C1[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)N1Cc1ccc(-c2nc3c4ccccc4ncn3n2)cc1 1615054510 ACJOUVCEPSAYLH-USNOLKROSA-N 423.476 3.476 0 40 HGAB C[C@H]1C[C@@H]2[C@@H](CC(=O)N2C2CCCCC2)[C@@H]1CNS(=O)(=O)Cc1ccccc1 1775964337 HAHKSJSDAOMTGB-VRXWPRPYSA-N 404.576 3.312 0 40 HGAB biogenic,in-vitro CC(=O)Nc1ccc(CN2CCC[C@H](COc3ncc(Br)cn3)C2)cc1 1776008087 XUMJFIVFFCPNAO-INIZCTEOSA-N 419.323 3.489 0 40 HGAB CCOC(=O)c1ccc(N2C[C@H](C(=O)O[C@H](C)C(=O)c3ccc(C)cc3)CC2=O)cc1 993311 ZPUBVDYUEXJPKE-VQIMIIECSA-N 423.465 3.339 0 40 HGAB COc1cc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3ncnn32)cc(OC)c1OC 1418578 PGAJLFCDCJEJPL-LJQANCHMSA-N 421.457 3.232 0 40 HGAB COc1ccccc1[C@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(C(C)C)CC(=O)N21 2109721 DOBQCIVRQBNFTH-CVDCTZTESA-N 403.482 3.270 0 40 HGAB biogenic COc1ccc(C(=O)N/C(=C/c2ccc(OC)c(OC)c2)C(=O)N2CCCCC2)cc1 3180994 VCTYUBKDBRLLQC-HMMYKYKNSA-N 424.497 3.496 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2cc(C)ccc2C)cc1 3339326 ORGNADXIKQQTNN-UHFFFAOYSA-N 418.515 3.129 0 40 HGAB CCC(=O)Nc1ccc(C(=O)CN2C(=O)N[C@](CC)(c3ccc(F)cc3)C2=O)cc1 4514105 FDGPGRDCKPASQB-JOCHJYFZSA-N 411.433 3.214 0 40 HGAB CCS(=O)(=O)c1cccc(C(=O)N2CCN(c3nc4ccccc4s3)CC2)c1 4585828 VRYZFBMTRUWWAT-UHFFFAOYSA-N 415.540 3.052 0 40 HGAB COc1cc(NC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc(OC)c1OC 4731885 RBVDCNXRZVUPCM-GFCCVEGCSA-N 404.850 3.357 0 40 HGAB Cc1cccc(N(CC(=O)NC(C)(C)C)C(=O)CCC(=O)Nc2cc(C)ccn2)c1 4849614 ACHVAWHUCDHMAA-UHFFFAOYSA-N 410.518 3.365 0 40 HGAB COc1ccc([C@@H]2C(C(=O)Nc3ccc(C)cc3C)=C(C)Nc3nnnn32)cc1OC 4878780 OWXQKFFMUILLMX-HXUWFJFHSA-N 420.473 3.235 0 40 HGAB CC1(C)C(=O)Nc2ccccc2N1C(=O)COC(=O)Cc1c(F)cccc1Cl 5508446 JDQKTUTUZBXNFS-UHFFFAOYSA-N 404.825 3.329 0 40 HGAB CCn1c(CNC(=O)c2ccccc2)nnc1SCC(=O)c1ccc(OC)cc1 6169102 CLHYMXUXEYXIAR-UHFFFAOYSA-N 410.499 3.212 0 40 HGAB O=C(N(Cc1nc2ccccc2c(=O)[nH]1)C[C@@H]1CCCO1)C1(c2ccccc2)CC1 6657803 VFGMEGWDAKZSEK-SFHVURJKSA-N 403.482 3.163 0 40 HGAB O=C(Nc1cccc(O)c1)c1cc(S(=O)(=O)N2CCc3ccccc3C2)cs1 6681414 KTJBEOJBHFXHGH-UHFFFAOYSA-N 414.508 3.453 0 40 HGAB Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)N3c4ccccc4C[C@H]3C)s2)c1 6817984 BWMDYHNBDOCHBO-CYBMUJFWSA-N 414.512 3.239 0 40 HGAB COc1ccc(C)cc1CCNC(=O)c1nn(-c2ccccc2Cl)c(C)cc1=O 7449791 JJDFHKNFWSCOKK-UHFFFAOYSA-N 411.889 3.484 0 40 HGAB Cc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(F)cc3)CC2=O)cc1Cl 7940061 DNIOGSOGYRBHDG-ZDUSSCGKSA-N 404.825 3.322 0 40 HGAB CCCOc1ccc(NC(=O)CN2C(=O)NC3(CCCCC3)C2=O)cc1OCCC 8313767 WYSNLXOHTZUDTB-UHFFFAOYSA-N 417.506 3.457 0 40 HGAB O=C(COc1cccc(F)c1)Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 8724051 QZSGULWQUUNXEX-UHFFFAOYSA-N 412.870 3.281 0 40 HGAB Cc1cccc(N2C(=O)N(c3ccc(Br)cc3)[C@@H]3CS(=O)(=O)C[C@H]32)c1 8828026 TWZHKRCPCGBKFS-IAGOWNOFSA-N 421.316 3.370 0 40 HGAB C[C@@H]1Oc2c(C(=O)Nc3ccc(S(=O)(=O)Nc4ncccn4)cc3)cccc2[C@@H]1C 9468127 UDYLJKACKWQMKR-KGLIPLIRSA-N 424.482 3.414 0 40 HGAB Cc1cccc2cc(CN(C[C@@H]3CCCO3)S(=O)(=O)c3ccccc3)c(=O)[nH]c12 9487916 RMXOKYWRMTUEQM-IBGZPJMESA-N 412.511 3.206 0 40 HGAB CC(C)OCCCNC(=O)c1ccc2c(c1)C[C@H](C)N2S(=O)(=O)c1ccccc1 10326217 OBLYEKADRLRDGC-KRWDZBQOSA-N 416.543 3.371 0 40 HGAB O=C(CCn1cnc2c(Cl)cc(Cl)cc2c1=O)NC(=O)NCc1ccccc1 11457524 BAZCEAIULLQNER-UHFFFAOYSA-N 419.268 3.119 0 40 HGAB COc1ccc2nc(-c3ccc(OC)c(NS(=O)(=O)c4cccs4)c3)cn2n1 11693560 FIINBUNFHFYGSW-UHFFFAOYSA-N 416.484 3.276 0 40 HGAB C[C@H](Sc1ccccn1)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 11709861 CJJQXYWVJKIPEG-HNNXBMFYSA-N 405.545 3.376 0 40 HGAB CCn1nc(C)c(CCC(=O)N2CCC[C@@H](n3nc(-c4ccco4)ccc3=O)C2)c1C 12158255 VSIPBGRNEJSFTL-GOSISDBHSA-N 423.517 3.133 0 40 HGAB Cn1ncc(Cl)c1[C@H]1CCCCCN1S(=O)(=O)c1ccc2c(c1)OCCO2 12159787 FLKMTYCVGRWUQQ-OAHLLOKOSA-N 411.911 3.151 0 40 HGAB CCOc1ccc(-c2cc3c(=O)n(CC(=O)Nc4cc(F)ccc4F)ccn3n2)cc1 12414482 OFGSJUHJVRMLDG-UHFFFAOYSA-N 424.407 3.479 0 40 HGAB COc1ccc(CNC(=O)C2CCN(c3cnc4ccccc4n3)CC2)cc1OC 12414697 YKAJVIDDFMLNLG-UHFFFAOYSA-N 406.486 3.180 0 40 HGAB CC(C)Oc1ccc(CO[C@H]2[C@@H]([C@@H]3COC(C)(C)O3)O[C@@H]3OC(C)(C)O[C@H]23)cc1 12660625 FHSMXIYGMBHZTJ-PXTPFGJHSA-N 408.491 3.387 0 40 HGAB biogenic COc1ccc([C@@H]2CCCN2[C@@H](C(=O)N2CCOCC2)c2ccccc2)c(OC)c1 12692154 IDKWMHUXCDHLCE-JTHBVZDNSA-N 410.514 3.441 0 40 HGAB Cc1cccc(C(=O)NCC(=O)Nc2nc3c(s2)CN(Cc2ccccc2)CC3)c1 12851416 OHVZBSSGOAOGKW-UHFFFAOYSA-N 420.538 3.378 0 40 HGAB CCc1cc(OCC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)ccc1Cl 12906182 GGBDLLIAOFMKDB-UHFFFAOYSA-N 410.923 3.479 0 40 HGAB Cc1ccc(S(=O)(=O)NCc2ccc(Cn3cccn3)cc2)c(Br)c1 12922529 SZAHEFOUPXGDMG-UHFFFAOYSA-N 420.332 3.481 0 40 HGAB Cc1nc(NC(=O)CCN2CCSC2=O)sc1Cc1ccc2c(c1)OCO2 12947343 IEDWYFFJGOFTIL-UHFFFAOYSA-N 405.501 3.268 0 40 HGAB O=C(NCc1ccco1)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1O 12995453 BKZMRZVOGDIYBY-UHFFFAOYSA-N 406.847 3.369 0 40 HGAB Cc1cc(C(=O)O)cc(S(=O)(=O)Nc2ccccc2C(=O)NC2CCCC2)c1C 13079186 FTVYICATDYRPLW-UHFFFAOYSA-N 416.499 3.475 0 40 HGAB COc1ccc(-c2cc(=O)n(CC(=O)Nc3nc4ccc(C)cc4s3)cn2)cc1 13807439 OVJCGEZKNPUBJX-UHFFFAOYSA-N 406.467 3.476 0 40 HGAB COc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)Nc1cccc(SC)c1 13858186 JMDMPOPZZJEQMV-UHFFFAOYSA-N 414.936 3.330 0 40 HGAB O=C([C@H]1CCCN(c2ncnc3scc(-c4ccccc4)c23)C1)N1CCOCC1 14233616 LQDOCSOMZZLGQZ-KRWDZBQOSA-N 408.527 3.434 0 40 HGAB c1ccc(-c2nc(CN3CCN(c4nnnn4-c4ccccc4)CC3)cs2)cc1 15519942 MLDFYDFFBSOLBK-UHFFFAOYSA-N 403.515 3.108 0 40 HGAB C[C@@H]1C(=O)N(CN2CCN(c3ccc(F)cc3)CC2)C(=O)N1c1ccc(Cl)cc1 16695006 UGDIWINAZOTZCK-OAHLLOKOSA-N 416.884 3.416 0 40 HGAB Cc1c(Cl)cccc1N1C(=O)[C@@H]2[C@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 18058400 QYKFPSKFNDXJHN-CROMWVBPSA-N 421.884 3.080 0 40 HGAB Cc1cnc(C(=O)N[C@H](Cc2ccccc2)C(=O)NC23CC4CC(CC(C4)C2)C3)cn1 19238974 OFIYMBPZCIZYIP-DLBGWLJESA-N 418.541 3.211 0 40 HGAB COc1ccc2cnc([C@@H]3CCCN(C(=O)c4cnc(N(C)C)nc4)C3)cc2c1C 19582680 JIOFMXOABYROOH-QGZVFWFLSA-N 405.502 3.428 0 40 HGAB Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 19661366 NFROFGXFOZARQH-CYBMUJFWSA-N 423.483 3.415 0 40 HGAB CCn1nccc1C(=O)N1CCC[C@H](N(C)C(=O)c2nccc3ccccc23)CC1 19749859 QSMSPVPBUSZPEF-SFHVURJKSA-N 405.502 3.218 0 40 HGAB CCN(CC(=O)Nc1cc(F)ccc1F)S(=O)(=O)c1ccc(OC)c(Cl)c1 19930414 BBEJTZRQPQDGSS-UHFFFAOYSA-N 418.849 3.276 0 40 HGAB COc1ccc(C)cc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)NCCC(C)C 20007284 SZMDLMZHDKKNIT-LJQANCHMSA-N 418.559 3.056 0 40 HGAB CCS(=O)(=O)N1c2ccc(C(=O)Nc3ccc(OC)cc3OC)cc2C[C@@H]1C 20449118 QKCXNMGISUPEEP-ZDUSSCGKSA-N 404.488 3.057 0 40 HGAB O=C(c1ccc(F)cc1)N1CCC(C(=O)N2CCN(c3ccccc3F)CC2)CC1 20612534 GEUQPTULTDSCOW-UHFFFAOYSA-N 413.468 3.166 0 40 HGAB CCNC(=O)c1ccc(OC)c(S(=O)(=O)Nc2ccc3nc(CC)sc3c2)c1 22255227 WVZNDUXEBQQRHV-UHFFFAOYSA-N 419.528 3.418 0 40 HGAB C[C@@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)Nc1ccccc1N1CCCC1)C2=O 22639720 JHJMLOLADXWIDM-WAIKUNEKSA-N 412.534 3.362 0 40 HGAB COc1cc(C)c(CN2CCN([C@@H](C)C(=O)Nc3ccc(F)cc3)CC2)cc1OC 22783701 ZEMGRIXWANUDQE-KRWDZBQOSA-N 415.509 3.296 0 40 HGAB CNC(=O)c1ccc(CN(C2CC2)S(=O)(=O)c2cccc(C(F)(F)F)c2)cc1 23075047 LWPJMAJJITZQNY-UHFFFAOYSA-N 412.433 3.418 0 40 HGAB COc1cccc(NC(=O)C[C@@H]2C(=O)N(C[C@@H]3CCCO3)c3nc4ccccc4n32)c1 23382142 OUCCBZZXZNBTKX-FXAWDEMLSA-N 420.469 3.140 0 40 HGAB Cc1cc(CN(C)C(=O)c2ccc3c(c2)C(=O)N(CCc2ccccc2)C3=O)no1 25135234 SZYNSMMVWSZUGP-UHFFFAOYSA-N 403.438 3.094 0 40 HGAB Cc1ccc(NC(=O)c2c(O)n(-c3ccc(C)cc3)n[n+]2CCN2CCCCC2)cc1 25182929 JZRRYWXPIHTOBK-UHFFFAOYSA-O 420.537 3.220 0 40 HGAB Cc1ccc(Oc2ccc(S(=O)(=O)NCC(C)(C)N3CCOCC3)cc2)cc1 25540038 BCHVIOYJXOCQFG-UHFFFAOYSA-N 404.532 3.176 0 40 HGAB CCOc1ccccc1CNC(=O)[C@@H](C)N(c1ccc(Cl)cc1)S(C)(=O)=O 30752897 SCOWLGNKNJSBBQ-CQSZACIVSA-N 410.923 3.210 0 40 HGAB COc1cc(CNC(=O)c2cc3cccc(OC)c3oc2=O)ccc1OC(F)F 32740906 BQBDCZZUDYWNQG-UHFFFAOYSA-N 405.353 3.342 0 40 HGAB Cc1nc2ccc(C(=O)OCCCCN3C(=O)c4ccccc4C3=O)cc2nc1C 32741745 VUOBSRKAUXROLY-UHFFFAOYSA-N 403.438 3.480 0 40 HGAB COc1ccc([C@H]2CCCN2C(=O)c2ccc(C)c(NS(C)(=O)=O)c2)cc1OC 32760287 JJQWHQMUWUFOFN-GOSISDBHSA-N 418.515 3.361 0 40 HGAB C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)NCCOc3ccccc3F)cc2)C1 32999733 ZQBKDPBCRKKDQM-MRXNPFEDSA-N 420.506 3.055 0 40 HGAB CC[C@H](C)[C@H](CO)NC(=O)[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(C)C 36579987 DQVCUIMSLAVQPE-AVCGJXAMSA-N 410.558 3.483 0 40 HGAB CCSc1nnc(-c2cccc(S(=O)(=O)N(CC)CC)c2)n1[C@H](C)COC 36802958 KWRGERBLDXSYMI-CQSZACIVSA-N 412.581 3.295 0 40 HGAB CCSc1nnc(NC(=O)CN2CCC(Cn3cnc4ccccc43)CC2)s1 38535469 JZWBMFHHTRNZBP-UHFFFAOYSA-N 416.576 3.351 0 40 HGAB CC(C)OCc1cccc(CNC(=O)c2ccc(S(=O)(=O)N3CCCCC3)o2)c1 40145445 ZYTRNUYIQOQQKR-UHFFFAOYSA-N 420.531 3.309 0 40 HGAB CCS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1ccc(-c2cnco2)cc1 40146383 ZWIXQMIHFVKGKD-IBGZPJMESA-N 411.483 3.057 0 40 HGAB COc1cc(NC(=O)[C@@H]2CCCN(c3ccc(Cl)nn3)C2)cc(OC)c1OC 47977895 YCGOGBJGRZYTST-GFCCVEGCSA-N 406.870 3.011 0 40 HGAB O=C(CN1CCN(c2ccc3c(c2)OCO3)C1=O)Nc1ccc(OC(F)(F)F)cc1 49388797 GJAGJGABSMAOCS-UHFFFAOYSA-N 423.347 3.195 0 40 HGAB CCCn1c(=O)n(CCC(=O)Nc2ccccc2N2CCOC2=O)c2ccccc21 58161765 UIVYTZQMQOYUOB-UHFFFAOYSA-N 408.458 3.198 0 40 HGAB O=C(Nc1ccc(OC[C@@H]2CCCO2)cc1)N(C[C@H]1CCCO1)C[C@H]1CCCO1 58202318 SIERRZVIFIMSEX-NJYVYQBISA-N 404.507 3.436 0 40 HGAB COc1ccccc1CN1CCC(NC(=O)c2cnc3c(cnn3C(C)C)c2)CC1 58439685 QOXRHZPTDKDRPH-UHFFFAOYSA-N 407.518 3.415 0 40 HGAB Cc1ccc(NC(=O)[C@H](OC(=O)c2nc3nccc(C)n3n2)c2ccccc2)cc1 60382518 JDSBRMRMKBESNK-GOSISDBHSA-N 401.426 3.278 0 40 HGAB COc1ccc(CNC(=O)Cn2cnc3cc(NC(=O)CC(C)C)ccc32)cc1OC 61717782 LJHIGQQXKIFUGW-UHFFFAOYSA-N 424.501 3.355 0 40 HGAB CCOC(=O)c1sc2nc3c(cc2c1NC(=O)CNCc1cccnc1)CCC3 61966202 LZDOLGSWLZFBMJ-UHFFFAOYSA-N 410.499 3.085 0 40 HGAB COc1cc(/C=C/C(=O)N2CSC[C@@H]2C(=O)N2CCCC2)ccc1OC(C)C 65592022 SHXRTFLCBUXUAS-UGAXZCSASA-N 404.532 3.020 0 40 HGAB O=S(=O)(NCC1CCN(c2ccncc2)CC1)c1ccc(OC(F)(F)F)cc1 70922278 ZWGAWJLIVSXSBO-UHFFFAOYSA-N 415.437 3.175 0 40 HGAB C[C@@H]1CN(C(=O)c2cc(-c3ccc4c(c3)OCCO4)n[nH]2)[C@H](C)CN1Cc1ccco1 72324224 HGVTYXITUVKYSS-HZPDHXFCSA-N 422.485 3.176 0 40 HGAB CCC(=O)N1CCCC[C@H]1c1nc(C)c2c(n1)N(Cc1cccc(OC)c1)C(=O)C2 72371847 ZLEQHOHTFBCISC-IBGZPJMESA-N 408.502 3.347 0 40 HGAB Cc1nnc2ccc(-c3ccc(NC(=O)c4ccc(N5CCCCC5)nn4)cc3)nn12 77099900 XHPVRYHTQZGDSK-UHFFFAOYSA-N 414.473 3.132 0 40 HGAB CCOc1ccccc1NC(=O)N1CCc2nc(NC(=O)c3cnccn3)sc2C1 77196302 HGEOOSBUYUKEMW-UHFFFAOYSA-N 424.486 3.174 0 40 HGAB CN(C[C@@H]1CCCN1C(=O)C[C@@H]1Sc2ccccc2NC1=O)C(=O)OC(C)(C)C 78935051 QNUMKCKNARZSMU-YOEHRIQHSA-N 419.547 3.347 0 40 HGAB COC(=O)c1ccc(C)c(NC(=O)CNc2ccccc2N2CCC(CO)CC2)c1 84185784 MWRGCWZIURHNJD-UHFFFAOYSA-N 411.502 3.041 0 40 HGAB CC(C)C[C@@H](NS(=O)(=O)c1ccc(C(C)C)cc1)c1nc(-c2nc[nH]n2)no1 95449601 QDRKFZFYSVUOEP-OAHLLOKOSA-N 404.496 3.044 0 40 HGAB O=S(=O)(NCCn1nc(C(F)(F)F)c2c1CCCC2)c1c(F)cccc1F 96121570 PAONWNOGBFQWLD-UHFFFAOYSA-N 409.380 3.037 0 40 HGAB Cc1ccc(S(=O)(=O)Oc2ccc(N3C(=O)[C@@H]4[C@H]5CC[C@@H](C5)[C@H]4C3=O)cc2)cc1 102634397 LJBRUJGOZAZHRY-IQGAEYHTSA-N 411.479 3.298 0 40 HGAB O=S(=O)(Nc1cnn(C[C@@H]2COc3ccccc3O2)c1)c1ccc(Cl)s1 206846801 MUBRQMNMSOUBBZ-GFCCVEGCSA-N 411.892 3.239 0 40 HGAB CCOc1ccc(CCCNC(=O)c2cccc(N(C)S(C)(=O)=O)c2C)cc1 222441900 ZLOHVOUEZASSSF-UHFFFAOYSA-N 404.532 3.152 0 40 HGAB CS(=O)(=O)N(CC(=O)NCc1ccccc1Cl)Cc1ccccc1Cl 224171771 IZHUMTXWBAQROY-UHFFFAOYSA-N 401.315 3.071 0 40 HGAB COC(=O)CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(OC)cc1 224867130 XRRGUJDZMWQPEQ-UHFFFAOYSA-N 404.271 3.370 0 40 HGAB CCn1c(=O)sc2cc(NC(=O)c3ccc(N(C)S(=O)(=O)CC)cc3)ccc21 225092979 VJEBHQUPOAPHOY-UHFFFAOYSA-N 419.528 3.121 0 40 HGAB O=C([C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)N1CCc2ccccc21 225547971 OMXCEWICGSLMHZ-MRXNPFEDSA-N 404.919 3.330 0 40 HGAB Cc1ccc(C)c(S(=O)(=O)N(C)CC(=O)Nc2cccc(Br)c2)c1 225929683 AFKNXLZENSUFLU-UHFFFAOYSA-N 411.321 3.325 0 40 HGAB C[C@@H]1CCCCN1c1cc(N2CCOCC2)nc(NC(=S)NC2CCCCC2)n1 226008083 ITGLNBMXSCTSLA-MRXNPFEDSA-N 418.611 3.311 0 40 HGAB COc1cccc(N(C)C(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c1 226072957 VSMMYOTUAGTKGH-UHFFFAOYSA-N 422.934 3.412 0 40 HGAB COc1ccc2c(c1)O[C@]1(C[C@H]3CC[C@H]1C[C@H]3C(=O)NCc1cccc(F)c1)NC2=O 247975695 WBJQPRCVNUJKNR-ZTBQPFKDSA-N 424.472 3.405 0 40 HGAB CC(C)(C)OC(=O)N1[C@@H](CNC(=O)c2ccncc2)C[C@@]2(C)[C@@H](O)CCCC[C@@H]12 257209459 BQLNBTBWVPHYKW-QSNWEANLSA-N 403.523 3.131 0 40 HGAB CC(=O)N1CCC(Cc2ccccc2F)(C(=O)N2CCC[C@@H](c3ccn[nH]3)C2)CC1 257273230 NFTIIBCOOPCFSZ-LJQANCHMSA-N 412.509 3.126 0 40 HGAB COCCNC(=S)Nc1nc(N2CCCCCC2)cc(N2CCC[C@H](C)C2)n1 260732795 BJZPVMJKAPOSCX-INIZCTEOSA-N 406.600 3.026 0 40 HGAB C[C@@H](CC(C)(C)c1ccccc1)NC(=O)[C@H](c1ccccc1)N(C)S(C)(=O)=O 260800726 VRBSGYAUMSWVLW-PXNSSMCTSA-N 402.560 3.492 0 40 HGAB CS(=O)(=O)N(CC(=O)NC1CCCCCCC1)c1cccc(Br)c1 408627851 QFXMFLSOAXAYGC-UHFFFAOYSA-N 417.369 3.444 0 40 HGAB Cn1cnc([C@@H]2C[C@]3(CCCN(CC4CC4)C3=O)CN2C(=O)c2cccc(F)c2)c1 585106423 FPPYNMLGBJTDKF-NZQKXSOJSA-N 410.493 3.165 0 40 HGAB CC(=O)N1CCCC[C@@H]2[C@H]1CCCN2CC1(O)CCN(c2ccccc2F)CC1 585285559 ZTIQKQRUQHSBTC-FGZHOGPDSA-N 403.542 3.022 0 40 HGAB O=C(CCc1ccccc1)N1CCCN(c2ccc3nnc(C4CCC4)n3n2)CC1 1775968183 MKEIUOLQDCBSSS-UHFFFAOYSA-N 404.518 3.063 0 40 HGAB COc1ccc(O[C@@H](C)C(=O)N2CCC(n3nc(C(C)(C)C)ccc3=O)CC2)cc1 1775968272 WHLIQJNUOAORDG-INIZCTEOSA-N 413.518 3.180 0 40 HGAB O=C(Cc1ccccc1Br)N1CC(Cn2cc(Br)cn2)C1 1889186493 SIPYCBLSMSHTNL-UHFFFAOYSA-N 413.113 3.109 0 40 HGAB CCN1CCc2ccccc2NC2(CCN(C(=O)c3cccnc3C)CC2)CC1=O 2037985700 SOICJJLAQBDXSV-UHFFFAOYSA-N 406.530 3.272 0 40 HGAB Cc1cccc(NC(=O)COC(=O)[C@H](CC(C)C)N2C(=O)c3ccccc3C2=O)c1C 1916973 LWGBJSYUDKIIAF-FQEVSTJZSA-N 422.481 3.496 0 40 HGAB COc1cc([C@@H]2CC(=O)c3cnc(NC(=O)c4ccco4)nc3C2)cc(OC)c1OC 2130182 COCYGUZOAHALGF-LBPRGKRZSA-N 423.425 3.260 0 40 HGAB biogenic O=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)Nc1ccc2ccccc2c1 2626283 GXZQEHSBKBFXRJ-UHFFFAOYSA-N 416.524 3.103 0 40 HGAB O=S(=O)(Nc1nc2ccccc2nc1-[n+]1c[nH]c2ccccc21)c1ccccc1 3169554 BLSBPWWNKAYWNP-UHFFFAOYSA-O 402.459 3.189 0 40 HGAB C[C@@H](OC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)C(=O)Nc1ccccc1 3392804 VGIXSZMOLOQWGF-MRXNPFEDSA-N 416.499 3.045 0 40 HGAB COc1ccc(-c2nnc(SCn3nnc4ccccc4c3=O)n2CC(C)C)cc1 3520021 FWNPUQRHETWUBE-UHFFFAOYSA-N 422.514 3.464 0 40 HGAB CCCNC(=S)N(Cc1cc2cc(OCC)ccc2[nH]c1=O)C[C@@H]1CCCO1 4216157 FTULNRISNPJQKA-SFHVURJKSA-N 403.548 3.192 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1 4217403 AVMKVQQAZQAYTE-UHFFFAOYSA-N 400.544 3.439 0 40 HGAB CCOC(=O)C1=C(c2ccccc2)Nc2ncnn2[C@@H]1c1ccc(C(=O)OC)cc1 4700278 KRHTUHLNWBKXOC-LJQANCHMSA-N 404.426 3.054 0 40 HGAB CCn1c(S[C@H](C)C(=O)Nc2nnc(C)s2)nnc1-c1ccc(OC)cc1 4736443 BBGQAUYJINMGHJ-SNVBAGLBSA-N 404.521 3.253 0 40 HGAB CCOc1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(OC)cc3)C2)c1 4967561 RYSRHJSDUGVEOP-MRXNPFEDSA-N 418.515 3.133 0 40 HGAB CCOC(=O)c1c(NC(=O)c2ccc(-n3cnnn3)cc2)sc2c1CC[C@@H](C)C2 5034671 YYPUCMLZIJDEII-GFCCVEGCSA-N 411.487 3.278 0 40 HGAB CN(C1CCCCC1)S(=O)(=O)c1ccc(SCC(=O)NCc2ccco2)nc1 5689274 ZFYBTNXPIVGPMG-UHFFFAOYSA-N 423.560 3.036 0 40 HGAB CCCCn1c(SCC(=O)c2ccccc2)nc2ccc(S(N)(=O)=O)cc21 6024396 FUYKXGWDCLQYJZ-UHFFFAOYSA-N 403.529 3.459 0 40 HGAB COc1ccc(CNC(=O)[C@@H](CCSC)NC(=O)c2cccc(C)c2)cc1OC 7718393 KPQHZCSOBXSMDW-GOSISDBHSA-N 416.543 3.180 0 40 HGAB COc1cc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)cc(OC)c1 7969963 ZZCPBKFOWYRELG-UHFFFAOYSA-N 418.515 3.439 0 40 HGAB O=c1c(Cl)c(NC[C@H]2COc3ccccc3O2)cnn1-c1nc2ccccc2[nH]1 8156990 MUENASJPJIXVOF-LBPRGKRZSA-N 409.833 3.014 0 40 HGAB Cc1nnc(SCC(=O)Nc2ccc(N3CCCC3=O)cc2)n1-c1ccccc1 9477416 RBJZNDICMRTCJY-UHFFFAOYSA-N 407.499 3.433 0 40 HGAB COC(=O)c1cc(NC(=O)COc2cccc(C(F)(F)F)c2)cc(C(=O)OC)c1 10860244 SYCKDQWFUBECEU-UHFFFAOYSA-N 411.332 3.296 0 40 HGAB COc1ccc(CCCN(C)C(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)cc1OC 11672134 RQOFCJJEYGOPFR-KRWDZBQOSA-N 400.450 3.360 0 40 HGAB O=S(=O)(c1ccc(Br)cc1)N1CCC[C@H](c2nnc3ccccn23)C1 12390003 LRXMRTFYHCODMH-ZDUSSCGKSA-N 421.320 3.060 0 40 HGAB Cc1nc2cc(N[C@@H](C)C(=O)Nc3ccc(S(=O)(=O)NC(C)C)cc3)ccc2o1 12537382 ICWFHKVRAXJLGN-ZDUSSCGKSA-N 416.503 3.262 0 40 HGAB O=C(Cc1cn2ccsc2n1)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 12540147 LWAOKOVTHYMBNX-UHFFFAOYSA-N 418.544 3.142 0 40 HGAB C[C@H]1CN(S(=O)(=O)c2cc(C(=O)N3CCCC[C@@H]3C)ccc2Cl)C[C@@H](C)O1 12600172 RSJVNOKDKJPXAP-SOUVJXGZSA-N 414.955 3.153 0 40 HGAB CC(C)c1ccc(-c2nnn(CC(=O)N[C@H](C)c3ccc4c(c3)OCCO4)n2)cc1 12747395 MDQCEMYLLQEUFY-OAHLLOKOSA-N 407.474 3.112 0 40 HGAB Cc1cc(C)c(NC(=O)CN(C)C(=O)CCN2C(=O)[C@H](C)Oc3ccccc32)c(C)c1 12761435 BWPVEAMCQGHHMX-SFHVURJKSA-N 423.513 3.213 0 40 HGAB CNC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2c2nc3ccccc3s2)cc1 12763411 JFCYDBQMYBDCJS-INIZCTEOSA-N 401.513 3.182 0 40 HGAB CCCOc1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 12874395 NCQAKLLINRUKDM-UHFFFAOYSA-N 418.515 3.277 0 40 HGAB COc1ccc(C(=O)N[C@H](C)c2ccccc2Cl)cc1S(=O)(=O)NC1CC1 12878424 OMOXCCRULVUGGP-GFCCVEGCSA-N 408.907 3.280 0 40 HGAB CCOC(=O)c1sc2ncn(CCOc3ccccc3C(C)=O)c(=O)c2c1C 12917301 KXYCGEIKJOOJPE-UHFFFAOYSA-N 400.456 3.225 0 40 HGAB COC(=O)[C@@](NC(=O)c1ccccc1Cl)(Nc1ccc(C)cn1)C(F)(F)F 13598279 YELBXUAHOLTVKH-INIZCTEOSA-N 401.772 3.317 0 40 HGAB COc1ccc(S(=O)(=O)N[C@H](C)CCc2ccccc2)cc1C(=O)NC(C)C 13677963 QXVQTOHBZZINQE-MRXNPFEDSA-N 404.532 3.133 0 40 HGAB O=C(COC(=O)CNC(=O)C1CCCCC1)Nc1ccc(OC(F)F)c(Cl)c1 14013954 OMCOEKFUKHGPNE-UHFFFAOYSA-N 418.824 3.120 0 40 HGAB Cc1cc(Br)ccc1SCC(=O)N(C)CC(=O)NCc1ccco1 14121326 AHPCURVPYPSRGY-UHFFFAOYSA-N 411.321 3.217 0 40 HGAB Cc1ccc(Cn2c(=O)c3c(nc(SCc4ccc(F)cc4)n3C)n(C)c2=O)cc1 16839532 UVEXJOJOGFBYDH-UHFFFAOYSA-N 424.501 3.222 0 40 HGAB Cc1nn(-c2nc(C)c(C)c(=O)[nH]2)c(C)c1CCC(=O)Nc1ccc(F)c(F)c1 16980824 LEIDUDFRUXVAAF-UHFFFAOYSA-N 401.417 3.039 0 40 HGAB CN(Cc1cccc(Cl)c1)C(=O)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O 18008662 PUKNCLFHBDIERX-KRWDZBQOSA-N 412.873 3.387 0 40 HGAB Cc1cc(-c2cnc(N3CCOCC3)nc2[C@H]2CCCN(C(=O)C(C)(C)C)C2)on1 19122020 VKKNQJIBFKZUHK-INIZCTEOSA-N 413.522 3.029 0 40 HGAB N[C@@H]1N=CNC2=C1[C@@H](c1ccc(Br)cc1)c1c(c3ccccc3oc1=O)O2 19320111 YJVGAFBGULKMPT-KBXCAEBGSA-N 424.254 3.208 0 40 HGAB biogenic CC(C)C[C@@H](c1nnnn1CCc1ccccc1)N1CCN(C(=O)c2ccco2)CC1 19446878 KQPUOKKOLZANMA-FQEVSTJZSA-N 422.533 3.054 0 40 HGAB O=C(CC[C@@H]1C(=O)Nc2ccccc21)Nc1cccc(N2CCCCS2(=O)=O)c1 19664832 JICZMSUXWAOKRN-SFHVURJKSA-N 413.499 3.071 0 40 HGAB COCC(=O)N1CCC[C@@H](c2nc(C)c3c(n2)N(Cc2ccc(F)cc2)CCC3)C1 19706617 CILASPQDSXMOIR-GOSISDBHSA-N 412.509 3.229 0 40 HGAB CCOc1cccc(CNC(=O)CN(c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)c1 20112306 PAKCKXNMGIOVEA-UHFFFAOYSA-N 418.559 3.465 0 40 HGAB CC[C@@H](NC(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O)c1ccc(OC)cc1 20493691 BZKUPZMOSHCDNJ-LJQANCHMSA-N 404.532 3.346 0 40 HGAB CCn1nnc2cc(C(=O)N3CCCN(c4ccc(C(F)(F)F)cn4)CC3)ccc21 22283788 SKDPCKAKRKMTPV-UHFFFAOYSA-N 418.423 3.218 0 40 HGAB CCOc1cccc(N(CC(=O)Nc2ccc(F)c(Cl)c2)S(C)(=O)=O)c1 22389687 VJVKWTCFCMYBSC-UHFFFAOYSA-N 400.859 3.283 0 40 HGAB CCOc1cccc(CNC(=O)CN(c2ccccc2C(C)C)S(C)(=O)=O)c1 22396759 PIOKCFQGOSZPBT-UHFFFAOYSA-N 404.532 3.291 0 40 HGAB COc1ccc([C@@H](CNC(=O)COc2c(C)cc(C)cc2C)N2CCOCC2)cc1 22402947 TXRHPRCQSVWDGV-JOCHJYFZSA-N 412.530 3.189 0 40 HGAB CCC(=O)Nc1ccc(S(=O)(=O)NCC2CCN(Cc3ccco3)CC2)c(C)c1 23127692 VAUSARBNFWQSEF-UHFFFAOYSA-N 419.547 3.127 0 40 HGAB CC(=O)NCc1ccc(S(=O)(=O)N[C@H](C)c2cccc(C(F)(F)F)c2)s1 23261252 LMSMBCHDXFQWOF-SNVBAGLBSA-N 406.451 3.443 0 40 HGAB O=C(/C=C/c1cnn(Cc2ccccc2)c1)N1CCN(CCOc2ccccc2)CC1 23819480 IZSNBKFZXSZMMY-VAWYXSNFSA-N 416.525 3.168 0 40 HGAB Cc1cc(NC(=O)[C@@H](N[C@H](C)c2ccc(S(C)(=O)=O)cc2)c2ccccc2)no1 24208031 MCVGKSCQZZKDQF-QRWLVFNGSA-N 413.499 3.417 0 40 HGAB COc1ccc(-c2noc(CN3C(=O)N[C@@](C)(c4ccc5c(c4)CCC5)C3=O)n2)cc1 25255303 WGZAFQASMWJNEL-QHCPKHFHSA-N 418.453 3.201 0 40 HGAB CCCc1cc(=O)oc2cc(OCC(=O)N(C)C[C@@H]3COc4ccccc4O3)ccc12 27273549 RDVHZNQTFLHLAO-GOSISDBHSA-N 423.465 3.423 0 40 HGAB CCN1C(=O)COc2ccc(NC(=O)c3cc(-c4ccc5c(c4)OCCO5)on3)cc21 28404358 LHJBOIHZNJNDHB-UHFFFAOYSA-N 421.409 3.110 0 40 HGAB O=C(Nc1ccccc1C(=O)NC[C@@H]1CCCO1)c1ccc(Cn2ccnc2)cc1 30942403 AXUOKZQKGVOLCE-IBGZPJMESA-N 404.470 3.093 0 40 HGAB CCN1CCN(c2ccc(NC(=O)NC[C@@H]3COc4ccccc4O3)cc2C)CC1 31027439 KXAHHTNENQWOGI-LJQANCHMSA-N 410.518 3.098 0 40 HGAB CCn1nnc2cc(C(=O)Nc3cc(OC(F)F)c(OC)cc3C(=O)OC)ccc21 32902962 IKPVUKWIAUAIFC-UHFFFAOYSA-N 420.372 3.100 0 40 HGAB Cc1ccc(-c2cc(C(=O)N3CCCCC3)nn2[C@H]2CCS(=O)(=O)C2)cc1C 33325680 JLMZHJAKYLGJOT-SFHVURJKSA-N 401.532 3.153 0 40 HGAB CCc1cccc(C)c1NC(=O)C[S@@](=O)CC(=O)Nc1cccc2cccnc12 35290110 XWTZWSCDVFHOPB-GDLZYMKVSA-N 409.511 3.432 0 40 HGAB O=S(=O)(NCCN1CCO[C@H](c2ccccc2)C1)c1cc(Cl)ccc1Cl 36700129 LLIDONQTMQHGFJ-KRWDZBQOSA-N 415.342 3.345 0 40 HGAB Cc1nc(NC(=O)CCS(=O)(=O)CC(C)C)sc1Cc1ccc2c(c1)OCO2 40117638 CBYORWYNYBNQGC-UHFFFAOYSA-N 424.544 3.170 0 40 HGAB COc1ccc(OC)c([C@H](C)NC(=O)[C@H]2CCCN(c3ccc(Cl)nn3)C2)c1 40131406 BKFQIDINDQHUPC-KBPBESRZSA-N 404.898 3.241 0 40 HGAB COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)CCCOc1ccc(C)cc1 44880860 WEYVPCRHJOSHBC-UHFFFAOYSA-N 420.531 3.488 0 40 HGAB Cc1ccc(C)c([C@@H](C)NC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(C)ccc3O2)c1 44905925 MNIZVPDRPREBLV-OXQOHEQNSA-N 402.516 3.016 0 40 HGAB Cn1c(SCCOc2ccc3ccccc3c2)nnc1[C@@H]1CCS(=O)(=O)C1 47438934 INHFSHCYPOUTPD-MRXNPFEDSA-N 403.529 3.042 0 40 HGAB O=C(Nc1cc2c(cc1Br)OCCO2)N(CCO)Cc1ccsc1 52232281 PMWRBVSECXBUNW-UHFFFAOYSA-N 413.293 3.308 0 40 HGAB C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccc2c(c1)CCC2 54286105 VAYDDCUCZDAZRQ-KRWDZBQOSA-N 412.555 3.453 0 40 HGAB COc1ccc(NC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)c3ccccc3O2)cc1 64985277 YBNJTRBDKGPYIW-NRFANRHFSA-N 424.478 3.290 0 40 HGAB COc1cccc2cc(C(=O)NC[C@H]3CCCO3)/c(=N/c3ccc4c(c3)OCO4)oc12 67293806 NDYLFQRQYKXDNX-IEQXMEILSA-N 422.437 3.311 0 40 HGAB O=C(NC[C@H]1CCCN(Cc2ccccc2)C1)Nc1cccc(N2CCNC2=O)c1 70011270 MDCSPEDBJXNEBY-LJQANCHMSA-N 407.518 3.250 0 40 HGAB CCOc1ccc(CC(=O)OCC(=O)Nc2cc(OC)ccc2OC)cc1OCC 72330897 LCENHCVBCBNXIJ-UHFFFAOYSA-N 417.458 3.226 0 40 HGAB CCn1cc(S(=O)(=O)N2CCCC[C@H]2c2nnc(-c3cccs3)o2)c(C)n1 72390142 ADTAGSCSUSULIQ-ZDUSSCGKSA-N 407.521 3.239 0 40 HGAB O=C(Cn1cc(-c2nc(-c3ccsc3)no2)ccc1=O)N1CCc2ccccc21 77200449 FBJRIGWZPDHAPQ-UHFFFAOYSA-N 404.451 3.216 0 40 HGAB O=C1CC[C@@H](N2C(=O)c3ccccc3C2=O)C(=O)N1Cc1cccc(C(F)(F)F)c1 95449556 SMNGPYQOYFQNBT-MRXNPFEDSA-N 416.355 3.019 0 40 HGAB Cn1nc(NC(=O)/C=C/c2ccc3c(c2)OCO3)c2c1NC(=O)C[C@H]2c1cccs1 97604835 SVJQZRZPNCCOHY-IYNGYCSASA-N 422.466 3.336 0 40 HGAB O=C(NC[C@H]1CC[C@H](c2ccnc3nc(C(F)(F)F)nn32)CC1)c1ccccn1 100158967 IZCXLINEZNWKPS-BETUJISGSA-N 404.396 3.242 0 40 HGAB C[C@H](NS(=O)(=O)c1cc(C(=O)O)ccc1NC[C@@H]1CCCO1)c1ccccc1 217478920 ZIHZJTRDIMVJNK-YOEHRIQHSA-N 404.488 3.015 0 40 HGAB CC[C@H](NC(=O)c1ccc(CN2CCCC2=O)cc1)c1ccc(S(C)(=O)=O)cc1 219232919 XUDGAOMZLCMNCA-FQEVSTJZSA-N 414.527 3.094 0 40 HGAB C[C@H](C(=O)NCCSCc1ccccc1)N(c1ccccc1F)S(C)(=O)=O 220297908 HTOQOVILOZGKCQ-OAHLLOKOSA-N 410.536 3.030 0 40 HGAB CCn1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCC(=O)OC)c1C 223719467 XTIKFCBTIVOSRR-VQTJNVASSA-N 400.548 3.446 0 40 HGAB COc1ccc(NC(=O)[C@]2(C)CCCN(Cc3ccccc3)S2(=O)=O)c(C)c1 225952639 VVZVZCLIQDOORM-NRFANRHFSA-N 402.516 3.327 0 40 HGAB CC1(C)O[C@H](N2N=C(Br)[C@H]3C(=O)NC=N[C@H]32)C(C)(C)C(C)(C)C1(C)C 245239224 GOYRCAGRXJTZSS-OSMZGAPFSA-N 413.360 3.324 0 40 HGAB CC(=O)OCC(=O)N1CCC[C@@H](c2nc(N(C)C)ncc2-c2ccc(Cl)cc2)C1 257244628 IMCZBWHVVATYJB-MRXNPFEDSA-N 416.909 3.132 0 40 HGAB CCCc1cc(Nc2ncc(C)s2)nc(C2CCN(C(=O)C(C)(C)N)CC2)n1 257342135 ZNEWIZKSWVLGMX-UHFFFAOYSA-N 402.568 3.381 0 40 HGAB COc1cccc(CN2CCN(C)[C@H](c3cn4c(N5CCCC5)cccc4n3)C2)c1 306137562 QZXGLYSXACKIHK-QFIPXVFZSA-N 405.546 3.432 0 40 HGAB CC(C)(C)OC(=O)N1CCN[C@@]2(CCCN(C(=O)OCc3ccccc3)CC2)C1 306145613 KMSUUURLBMUGNO-JOCHJYFZSA-N 403.523 3.388 0 40 HGAB COc1ccccc1N1CCN(C(=O)C2CCN(C(=O)c3ccc(C)cc3)CC2)CC1 409018775 UOWINJDPQJWMBW-UHFFFAOYSA-N 421.541 3.205 0 40 HGAB CCn1c(SCC(=O)Nc2ccccc2C(=O)OC)nnc1-c1ccccc1O 409411696 KAXPNPYWACKCLR-UHFFFAOYSA-N 412.471 3.188 0 40 HGAB O=S(=O)(c1ccccc1Br)N1CC[C@H](n2cnc3ccccc32)C1 585149353 WJPJTVUWSMDDPL-ZDUSSCGKSA-N 406.305 3.435 0 40 HGAB OC[C@H]1[C@H](O)C[C@@H](NCC2CCCCC2)[C@@H]1Cc1ccnc(-c2ccccc2F)n1 604382043 ALNCVYRJOPUTNX-OHUMZHCVSA-N 413.537 3.353 0 40 HGAB biogenic,in-vitro Cc1ccccc1C1(C(=O)N2CCN(c3ccccc3OCCN(C)C)CC2)CC1 606334252 KIHGQWPUDGBOSU-UHFFFAOYSA-N 407.558 3.316 0 40 HGAB O=S(=O)(c1ccc(-n2cccn2)cc1)N1CCC(c2ccc3cccnc3n2)CC1 1888978165 PUSSCSTWBCWBNQ-UHFFFAOYSA-N 419.510 3.384 0 40 HGAB COc1ccc(CN2CC(=O)N3[C@@H](Cc4c([nH]c5ccccc45)C3(C)C)C2=O)cc1 2099565 DUQURIPWBJQUGW-FQEVSTJZSA-N 403.482 3.207 0 40 HGAB biogenic CCOC(=O)c1c(C)n(C)c2ccc(OC)c(NC(=O)CN3CCC[C@H](C)C3)c12 2262672 LUEVSJIYBKGQMX-AWEZNQCLSA-N 401.507 3.342 0 40 HGAB COc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCN(C)C)cc1OC 2439943 QMTZAOHVZIBENM-OAQYLSRUSA-N 422.481 3.307 0 40 HGAB COc1ccc(-c2nnc(S[C@H](C)C(=O)NC(N)=O)n2[C@@H]2CCCC[C@H]2C)cc1 2616705 UKMCIDOUMJMTMF-XJKCOSOUSA-N 417.535 3.380 0 40 HGAB COc1cc(NC(=O)COC(=O)Cc2ccc(Br)cc2)cc(OC)c1 3269195 YDTPTXWTJMMZOZ-UHFFFAOYSA-N 408.248 3.191 0 40 HGAB COc1ccc(-n2nnnc2S[C@@H](C)C(=O)Nc2cc(Cl)ccc2OC)cc1 3501637 GUPFLDUMWUTWDJ-NSHDSACASA-N 419.894 3.452 0 40 HGAB N=C1Cc2ncnn2C(n2nc(-c3ccc4ccccc4c3)cc2C(F)(F)F)=NN1 4478224 VRLWYEPTEAROOP-UHFFFAOYSA-N 410.363 3.104 0 40 HGAB CC(C)(C)NC(=O)[C@H](c1ccccn1)N(C(=O)c1csnn1)C1CCCCC1 4858846 ASSFMRINIHAUTE-KRWDZBQOSA-N 401.536 3.364 0 40 HGAB Cc1ccc(C)c2sc(N3CCN(C(=O)[C@@H]4COc5ccccc5O4)CC3)nc12 5182518 DBJXFYOPMZXRNN-SFHVURJKSA-N 409.511 3.402 0 40 HGAB Cc1nnc(SCC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)n1Cc1ccccc1 5216639 YGNGYXULQKSDBA-HNNXBMFYSA-N 421.526 3.491 0 40 HGAB C[C@H](OC(=O)Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(N2CCOCC2)cc1 5397321 QFNUOLHNUAZZEC-INIZCTEOSA-N 407.470 3.117 0 40 HGAB CN(C)C(=O)c1ccc(NC(=O)COC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1 5653026 NDRDADBOCSGSJI-UHFFFAOYSA-N 418.877 3.381 0 40 HGAB CCn1nnc2cc(C(=O)O[C@H](C)C(=O)Nc3ncc(Cl)cc3Cl)ccc21 5805105 WABHWJFDJVJIJR-SECBINFHSA-N 408.245 3.337 0 40 HGAB CN(C)[C@@H](CNC(=O)c1cccc(I)c1)Cc1ccccc1 7683614 CVYWFTVEPSYLII-QGZVFWFLSA-N 408.283 3.194 0 40 HGAB COC(=O)c1ccc(C)c(NC(=O)[C@H]2CS[C@@]3(c4ccccc4)CCC(=O)N23)c1 7801326 CRFUYNQMYWJNON-XMSQKQJNSA-N 410.495 3.311 0 40 HGAB CON(C)S(=O)(=O)c1cccc(C(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)c1 7814814 RAMNYKZSHWPNMT-HILYYZTDSA-N 406.548 3.203 0 40 HGAB O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)Nc1ccc(Cl)c(Cl)c1 7917106 CINYMSCDETXIBU-UHFFFAOYSA-N 404.253 3.004 0 40 HGAB Cc1ccc(C(C)C)c(OCC(=O)Nc2nc3ccc(S(N)(=O)=O)cc3s2)c1 7990557 OMQLFDVQWDLOMY-UHFFFAOYSA-N 419.528 3.393 0 40 HGAB Cc1cc(NS(=O)(=O)c2ccc(NC(=O)Cc3cccc(F)c3)cc2)nc(C)n1 8183771 VXQFBXPLFHEBKA-UHFFFAOYSA-N 414.462 3.215 0 40 HGAB C[C@@H](OC(=O)COc1cccc2c1OC(C)(C)C2)C(=O)Nc1ccc2c(c1)OCO2 8193738 JNSRNDRWDUFZMR-CYBMUJFWSA-N 413.426 3.078 0 40 HGAB Cc1ccc(-n2nc(C)c([C@@H]3C=C[C@@H](NC(=O)COCC(=O)O)C3)c2C)cc1Cl 8624015 LGKKPXRHFVMIOU-HZPDHXFCSA-N 417.893 3.080 0 40 HGAB biogenic,in-vitro CC(=O)N[C@@]1(CC(=O)c2ccc(Br)cc2)C(=O)N(C)c2ccccc21 9418589 IIAZWAPTTVUSAP-LJQANCHMSA-N 401.260 3.030 0 40 HGAB COc1cccc([C@@H]2c3c(-c4ccc(Cl)cc4)nnc(O)c3Nc3nnnn32)c1 10232683 HGQIVAUSYGHUOQ-QGZVFWFLSA-N 407.821 3.192 0 40 HGAB O=C(NCCOc1ccc2nnc(-c3ccc(F)cc3)n2n1)Nc1ccc(F)cc1 11694589 BDDGWXUZUNMANL-UHFFFAOYSA-N 410.384 3.270 0 40 HGAB Cc1nc2cc(C(=O)N3CCC[C@@H](c4nc(-c5cccnc5)n[nH]4)C3)ccc2n1C 12087320 FFAZRXOGFJQRCZ-QGZVFWFLSA-N 401.474 3.082 0 40 HGAB CC1(C)Cc2nc(-c3ccncc3)ncc2[C@H](NC(=O)c2ccc(C(N)=O)cc2F)C1 12238694 SWHZMPJATRKFDI-LJQANCHMSA-N 419.460 3.220 0 40 HGAB COc1ccc([C@H](CNS(=O)(=O)c2cn(C)nc2C)c2c[nH]c3ccccc23)cc1 12239053 IAOPITUAIXPDKQ-IBGZPJMESA-N 424.526 3.329 0 40 HGAB Cc1ccc(C)c(-n2cnnc2SC[C@H](O)COCc2ccc3c(c2)OCO3)c1 12550742 WUOMOIYZZIQOFT-QGZVFWFLSA-N 413.499 3.283 0 40 HGAB CCc1ccc(NCC(=O)NCC(=O)Nc2ccc(Br)cc2C)cc1 12775420 BDZQYLQCYHHHEI-UHFFFAOYSA-N 404.308 3.487 0 40 HGAB C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(OC(F)F)cc1 14230905 DFFFYGPEZZKCQZ-JTQLQIEISA-N 404.822 3.247 0 40 HGAB COc1ccc(C2(C(=O)N(C)Cc3ccccc3N3CCOCC3)CCOCC2)cc1 19661471 CCNBRXOMEJVZKV-UHFFFAOYSA-N 424.541 3.239 0 40 HGAB Cc1nc([C@H]2CCCCN2C(=O)Cc2c[nH]c3ccccc23)ncc1C(=O)N(C)C 19754258 TYLAPXWQJZJWBO-HXUWFJFHSA-N 405.502 3.264 0 40 HGAB CCOc1ccc(CCCNC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)cc1 22330604 OCQRQIGWYXJRCS-UHFFFAOYSA-N 424.950 3.254 0 40 HGAB CCOc1ccccc1CNC(=O)CN(c1ccccc1C(C)C)S(C)(=O)=O 22396815 XJSLXHKAFUVZFL-UHFFFAOYSA-N 404.532 3.291 0 40 HGAB Cc1csc(NC(=O)Cc2c(C)nc(SCc3ccccc3F)[nH]c2=O)n1 23138616 ULSPNUVUNMDGNH-UHFFFAOYSA-N 404.492 3.456 0 40 HGAB Cc1nc(C(C)(C)C)nc2sc(C(=O)N3CCN(C(=O)C4CC4)CC3)c(C)c12 25170199 ZPGNKKQSYSAGOK-UHFFFAOYSA-N 400.548 3.300 0 40 HGAB CCCn1c(=O)n(CCC(=O)N2CCCc3c(C(=O)OC)cccc32)c2ccccc21 25193622 VGYFSQZRXUJIGJ-UHFFFAOYSA-N 421.497 3.369 0 40 HGAB O=C(CCn1c(=O)oc2cc(Cl)ccc21)NCc1ccccc1Cn1ccnc1 25665860 TVQUNPPCFLQZKD-UHFFFAOYSA-N 410.861 3.199 0 40 HGAB CC(C)c1nnc(NC(=O)CN2CCN(c3cccc(C(F)(F)F)c3)CC2)s1 25766316 QYGPAFICJCVWRE-UHFFFAOYSA-N 413.469 3.441 0 40 HGAB CCCn1c(=O)[nH]c(=O)c2cc(C(=O)N[C@@H](C)c3ccc4ccccc4c3)cnc21 30397656 NXMUZEOUUGBJCE-AWEZNQCLSA-N 402.454 3.139 0 40 HGAB C[C@@H](NC(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1)c1cccc(Br)c1 31286248 GJMPOSBZOKGPDC-HIFRSBDPSA-N 402.292 3.070 0 40 HGAB Cc1ccc(C)c(N2C(SCCOc3ccccc3)=N[C@@H]3CS(=O)(=O)C[C@H]32)c1 32640639 XSUXFQQMXTVMFK-UYAOXDASSA-N 416.568 3.457 0 40 HGAB O=C(NCCCc1ccccc1)c1ccc(Oc2nccnc2N2CCOCC2)cc1 33296792 LUKNQZPSOXUBQR-UHFFFAOYSA-N 418.497 3.468 0 40 HGAB Cc1cccc(N2CCN([C@@H](C(=O)O)c3cn(C)c4ccc(C(=O)O)cc34)CC2)c1C 36366642 GKBRTDDJXFLSDX-JOCHJYFZSA-N 421.497 3.441 0 40 HGAB Cn1nc(NC(=O)c2cc(-c3ccccc3)on2)c2c1NC(=O)C[C@H]2c1ccco1 36705564 CPXPVRBTOKYLJV-ZDUSSCGKSA-N 403.398 3.395 0 40 HGAB O=C(Oc1ccc(-n2cnnn2)cc1)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O 39969515 DGSNTKXNHQDRJX-OAQYLSRUSA-N 412.405 3.336 0 40 HGAB CSc1ccc(N2C[C@H](C(=O)OCC(=O)N(C)Cc3ccsc3)CC2=O)cc1 40051522 FHMXDNFNHNPJRE-OAHLLOKOSA-N 418.540 3.025 0 40 HGAB O=C(NCCC(=O)N1CCN(c2ccc(F)cc2)CC1)Nc1ccc(Cl)cc1 40158448 DIASABNGCIVFHI-UHFFFAOYSA-N 404.873 3.340 0 40 HGAB O=C(CN(Cc1nccn1C(F)F)C1CC1)Nc1ccccc1N1CCCC1=O 46066559 ATFNYVZQLKEMNS-UHFFFAOYSA-N 403.433 3.008 0 40 HGAB O=C(CNC(=O)C(=O)Nc1ccc(Cl)cc1)Nc1cc(Cl)ccc1Cl 47219426 ZNMNTGQEYWXDEN-UHFFFAOYSA-N 400.649 3.340 0 40 HGAB CN(C)C(=O)c1cccc(NC(=O)c2cccc(COc3ccccc3C(N)=O)c2)c1 58005002 QAONRZXEAZBBGV-UHFFFAOYSA-N 417.465 3.319 0 40 HGAB COc1ccc(OC)c(NC(=O)COC(=O)c2cccnc2Oc2cccnc2)c1 58155184 VTHLZYHIVQIUEI-UHFFFAOYSA-N 409.398 3.082 0 40 HGAB Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H]2C(=O)OCc2nc(C)c(C)o2)c(C)c1 58309201 RERZXTLMHARLSU-QGZVFWFLSA-N 406.504 3.113 0 40 HGAB COc1ccccc1-c1noc([C@H](C)NC(=O)CNC(=O)c2ccccc2Cl)n1 72304637 UTOAAJDFFSXHJR-LBPRGKRZSA-N 414.849 3.006 0 40 HGAB CC(C)n1cc(CN2CCc3c(O)nc(N4CCOCC4)nc3C2)c2ccccc21 72335521 QGWPDCQEWJKXLP-UHFFFAOYSA-N 407.518 3.113 0 40 HGAB Cc1cccc(CCC(=O)N2CCC[C@H](c3ncc(Cl)cc3S(C)(=O)=O)C2)n1 72394239 NMLUWLJAANBTKS-HNNXBMFYSA-N 421.950 3.181 0 40 HGAB COc1ccc(/C=C/C(=O)N[C@@H](C)C(=O)Nc2cccc(CCCOC(C)=O)c2)cc1 96012054 XXPZGOJKQCMOHS-WKOYGUFESA-N 424.497 3.348 0 40 HGAB CN1CC(=O)N(c2cccc(F)c2)C[C@]12CCN(C(=O)c1ccc(Cl)cc1)C2 96050290 MNROKKBMHBLPCE-OAQYLSRUSA-N 401.869 3.042 0 40 HGAB COc1ccc(S(=O)(=O)C2CCN(C(=O)CCc3sccc3C)CC2)cc1 96376248 UOPYCGWEBGDRSD-UHFFFAOYSA-N 407.557 3.463 0 40 HGAB CN1c2ccsc2C(O)=C(C(=O)Nc2cccc(C(F)(F)F)c2)S1(=O)=O 100326347 RVBLCBILDONHIO-UHFFFAOYSA-N 404.391 3.412 0 40 HGAB CC(C)c1c(C(=O)NC[C@@H]2CN3CCCC[C@H]3CO2)cnn1-c1ccc(F)cc1 107542467 YBQCSPGFAGDIBC-RBUKOAKNSA-N 400.498 3.118 0 40 HGAB Cc1ccccc1C(=O)N[C@H](C)c1nnc(SCC(=O)NC2CCCCC2)n1C 107680394 PRSKDEOZGGUDKM-OAHLLOKOSA-N 415.563 3.156 0 40 HGAB CC(=O)c1ccc(S(=O)(=O)N2CCS[C@@H](c3ccc4c(c3)OCO4)CC2)cc1 219255559 LCNDGVWYKDZDLD-HXUWFJFHSA-N 419.524 3.487 0 40 HGAB CC[C@@H](C(=O)N[C@@H](C)c1ccccc1OC)N(c1ccc(F)cc1)S(C)(=O)=O 222619143 HXXMCPNWZJOZSN-KSSFIOAISA-N 408.495 3.256 0 40 HGAB COc1ccc(N(CC(=O)NC[C@@H](C)c2ccccc2)S(C)(=O)=O)cc1Cl 223685801 IDDIMZUADQTOEI-CQSZACIVSA-N 410.923 3.035 0 40 HGAB COc1ccc(NC(=O)Nc2cnc(N3CCN(c4ccccc4)CC3)nc2)cc1 224267937 QVWFGFUHAVDTIT-UHFFFAOYSA-N 404.474 3.456 0 40 HGAB CCOCCCNC(=O)c1ccc(CN(CC)S(=O)(=O)c2ccccc2)cc1 224447937 ZRFKJRLVRVCRIO-UHFFFAOYSA-N 404.532 3.054 0 40 HGAB COc1ccc(NC(=O)[C@]2(C)CCN(c3ccc(Cl)cc3)S2(=O)=O)cc1OC 225946554 PLMQAZIYIKNDBV-IBGZPJMESA-N 424.906 3.295 0 40 HGAB O=S(=O)(NCc1nnc2ccc(-c3ccsc3)nn12)c1ccc(Cl)s1 244986108 JGLRZENERIYZNM-UHFFFAOYSA-N 411.921 3.046 0 40 HGAB CCc1onc(C)c1-c1cccc([C@@H]2CN(C(=O)c3ccc4[nH]nnc4c3)CCO2)n1 257283403 OYDQTDXZTZATNY-FQEVSTJZSA-N 418.457 3.092 0 40 HGAB CS(=O)(=O)N1CCC(N2CCC[C@@H](c3ncc(Cc4ccccc4F)o3)C2)CC1 257303255 SGJZJLPYZCZOOF-QGZVFWFLSA-N 421.538 3.008 0 40 HGAB O=C(NS(=O)(=O)c1ccc(Br)cc1)c1cccc(-n2cccc2)c1 257312004 ULZLGFCSDAZYJF-UHFFFAOYSA-N 405.273 3.359 0 40 HGAB C[C@@H]1CCCN(c2cc(C(F)(F)F)nc(NC(=S)NC[C@H]3CCCO3)n2)C1 260724284 YPUAQZIYIREOCA-VXGBXAGGSA-N 403.474 3.197 0 40 HGAB Cc1ccccc1CC(=O)N1C[C@H](c2nccs2)[C@@]2(CCN(CC(C)C)C2=O)C1 306124712 BXLSKBPVZXPSLF-AUSIDOKSSA-N 411.571 3.495 0 40 HGAB CCOC(=O)c1ccccc1NC(=O)CCCN(c1ccccc1)S(C)(=O)=O 408624985 HGLLVXPPZVZEGT-UHFFFAOYSA-N 404.488 3.048 0 40 HGAB COc1cccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3C)C2)c1 408652736 CRRPDZMFCAQKCS-AWEZNQCLSA-N 416.861 3.192 0 40 HGAB Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)N1[C@H](C)Cc2cc(F)ccc2[C@H]1C 537696510 HMHKPXOCWKTVFN-TZMCWYRMSA-N 423.492 3.051 0 40 HGAB COc1cccc(N2CCN(C(=O)[C@H]3CCCN3c3nc4ccccc4o3)CC2)c1 670425732 CXDGKUINMHJNSI-HXUWFJFHSA-N 406.486 3.154 0 40 HGAB C[C@H]1CN(Cc2ccccc2NC(=O)NCc2cc3c(nc2O)CCC3)C[C@@H](C)O1 1667392467 ZXDYFOQZNHDGOD-IYBDPMFKSA-N 410.518 3.207 0 40 HGAB COCc1cn(C2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(Br)cc2)nn1 1888864422 MUWGZZDCLAVZCR-SJPCQFCGSA-N 405.296 3.195 0 40 HGAB CO[C@@H](C)C(=O)Oc1ccc(-c2ccc(F)cc2F)cc1C(=O)O[C@H](C)C(=O)O 2060993543 JXBUFIOIVJRDJD-MNOVXSKESA-N 408.353 3.202 0 40 HGAB O=C(CN1CC[C@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@@H]21)N1CCc2ccccc21 2086889743 WFBAJBBJCKHIQL-LPHOPBHVSA-N 416.447 3.200 0 40 HGAB O=C([C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)N1CCc2ccccc2C1 810071 VXYDAQCUPCURPI-SFHVURJKSA-N 418.946 3.326 0 40 HGAB CCOc1ccc(N(CC(=O)NC2CCCC2)S(=O)(=O)c2ccccc2)cc1 821531 IUFGOSSYTQLYJL-UHFFFAOYSA-N 402.516 3.339 0 40 HGAB COc1cc(C)nc(N2CCC[C@H](C(=O)Nc3ccccc3Br)C2)n1 1344039 CBGLDZMXOYTABB-ZDUSSCGKSA-N 405.296 3.411 0 40 HGAB CCOC(=O)c1c(N)n(CCNC(=O)c2ccc(C)cc2)c2nc3ccccc3nc12 2226715 LNEVEVHHTAQJTN-UHFFFAOYSA-N 417.469 3.082 0 40 HGAB Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)CN[C@@H](C)c1ccc(S(N)(=O)=O)cc1 2631281 ODDFIUJTAGTZCI-LPHOPBHVSA-N 420.575 3.030 0 40 HGAB COC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(OC)c(OC)c2)N1C(C)=O 3136021 RVPFBYKTOAVCLZ-XMSQKQJNSA-N 408.454 3.221 0 40 HGAB biogenic COc1ccc2nc(SCC(=O)N(C)Cc3ccc(OC)c(OC)c3)[nH]c2c1 4274490 MTUNDKNLWZVONE-UHFFFAOYSA-N 401.488 3.339 0 40 HGAB CCc1ccc(NC(=O)Cn2cnc3c(cnn3-c3cccc(Cl)c3)c2=O)cc1 4479113 UWWWKQATMTUZLH-UHFFFAOYSA-N 407.861 3.437 0 40 HGAB COc1ccc(OCCSc2nnc(CC(=O)Nc3ccccc3F)n2C)cc1 4735876 YCMPLJOOBHVFHK-UHFFFAOYSA-N 416.478 3.315 0 40 HGAB Cc1c([C@@H]2c3ccccc3C(=O)N2CC(=O)NC[C@@H]2CCCO2)c2ccccc2n1C 4739551 XARLHGBDKXZUMZ-XDHUDOTRSA-N 417.509 3.327 0 40 HGAB Cc1c([C@H]2c3ccccc3C(=O)N2CC(=O)NC[C@@H]2CCCO2)c2ccccc2n1C 4739552 XARLHGBDKXZUMZ-BXKMTCNYSA-N 417.509 3.327 0 40 HGAB CCN(C(=O)Cn1c(=O)n(Cc2ccco2)c(=O)c2ccccc21)c1cccc(C)c1 4906591 FSIOGXUTMIANOL-UHFFFAOYSA-N 417.465 3.166 0 40 HGAB Cc1cc(Cl)ccc1NC(=O)[C@H]1C(=O)C(=O)N(c2ccc(Cl)cc2C)C1=O 5812430 NQWIKQZZYNDYME-OAHLLOKOSA-N 405.237 3.307 0 40 HGAB O=C(Nc1ccc2ccccc2c1)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 6152864 WHBGCNWZKLBJMM-UHFFFAOYSA-N 414.458 3.252 0 40 HGAB O=S(=O)(Nc1ccc2ccccc2c1)c1ccc(S(=O)(=O)N2CCCC2)cc1 6623271 JGWFVLIRGXKNQY-UHFFFAOYSA-N 416.524 3.425 0 40 HGAB Cc1nnc(NC(=O)c2cc(S(=O)(=O)N(C)c3ccc(F)cc3)cs2)s1 6681268 LNQCXPMQEGWASK-UHFFFAOYSA-N 412.493 3.125 0 40 HGAB Cc1c(CC(=O)N[C@@H](C(=O)O)C(C)C)c(=O)oc2cc3oc4c(c3cc12)CCCC4 6825371 XYFLNKSXHSXHMO-OAQYLSRUSA-N 411.454 3.494 0 40 HGAB biogenic C[C@@H](NC(=O)CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O)c1cc2ccccc2o1 7185714 GGMNNVJJXIAPAZ-OYLFLEFRSA-N 417.465 3.394 0 40 HGAB COc1ccc(S(=O)(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1C(C)C 7360975 CIAMTPMEJHWKAZ-UHFFFAOYSA-N 415.515 3.417 0 40 HGAB O=C(NCc1ccccn1)c1ccc(Cl)c(S(=O)(=O)NCc2ccccc2)c1 8289908 WJKYUICEELXSLI-UHFFFAOYSA-N 415.902 3.144 0 40 HGAB CCCCNC(=O)c1cccc(NC(=O)C[C@@H]2SC(N3CCCCC3)=NC2=O)c1 8394858 DZXFOSXDWWKLCI-KRWDZBQOSA-N 416.547 3.029 0 40 HGAB CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)NCc1ccc(F)cc1)C2=O 8404756 MHJMRFMDWPPYRY-UHFFFAOYSA-N 403.498 3.359 0 40 HGAB COc1ccc(NC(=O)CSc2nnc(-c3ccccc3Cl)n2N)cc1OC 8647390 MQYWHDYIQIROSX-UHFFFAOYSA-N 419.894 3.060 0 40 HGAB Cc1ccc(Cn2c(NCc3ccccc3Cl)nc3c2c(=O)n(C)c(=O)n3C)cc1 8774841 XKHRRRDNTQTOFE-UHFFFAOYSA-N 423.904 3.056 0 40 HGAB COC(=O)[C@@H](C)Sc1nnc(-c2nn(Cc3ccccc3)c(=O)c3ccccc23)o1 8803719 YWTQSSKCUYMXCU-CYBMUJFWSA-N 422.466 3.148 0 40 HGAB COc1ccc2[nH]cc(CCNS(=O)(=O)c3ccc(Br)cc3)c2c1 9095373 BSMLQJFOSMJBSK-UHFFFAOYSA-N 409.305 3.460 0 40 HGAB O=C(Nc1nc2c(s1)CC[C@@H]2C(=O)NCc1ccc2c(c1)OCO2)c1ccccc1 9131211 QUHHIROFXGFOLL-HNNXBMFYSA-N 421.478 3.470 0 40 HGAB O=C(N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)[C@H]1CCCN1C1=NS(=O)(=O)c2ccccc21 9155874 DXHAXBNQQGPFON-DODZYUBVSA-N 415.559 3.075 0 40 HGAB O=C(c1ccc(F)cc1)[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@H]2C=CC=NN12 9191560 NOUCSULMUOKRQB-MKXGPGLRSA-N 423.831 3.076 0 40 HGAB COc1ccc2c(c1OC)C(=O)N1[C@H](C(=O)NCc3ccccc3Cl)CS[C@H]21 9345999 RFVWAFFVNPOPDM-VBKZILBWSA-N 418.902 3.243 0 40 HGAB CC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)C(=O)O[C@H](C)c2ccccc2Cl)cc1 9963618 DUFOAKGGIFUCMJ-CHWSQXEVSA-N 424.906 3.270 0 40 HGAB CCOC(=O)c1c(C)n(C)c2ccc(OC[C@@H](O)CN3CCc4ccccc4C3)cc12 9970621 TUPOTXLSGDRCON-FQEVSTJZSA-N 422.525 3.461 0 40 HGAB Cc1cc(C)cc(O[C@@H](C)C(=O)N2CCC[C@@H](c3noc(-c4cnccn4)n3)C2)c1 12187662 MTPNLZKJKWZFPS-DLBZAZTESA-N 407.474 3.317 0 40 HGAB C[C@@H]1CN(C[C@@H](O)COc2ccc(Br)cc2Br)C[C@@H](C)O1 12420331 ZNGPEHWUSWLOND-NQBHXWOUSA-N 423.145 3.061 0 40 HGAB Cc1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1S(=O)(=O)N(C)C 12508242 YQXXNAHQISLJEY-UHFFFAOYSA-N 422.450 3.065 0 40 HGAB CC1=C(C(=O)N2CCOCC2)[C@H](c2ccc(F)cc2)NC(=S)N1c1ccccc1 12551871 CFNQEVFTMBNTEA-FQEVSTJZSA-N 411.502 3.394 0 40 HGAB Cc1nc(-c2ccc(CNC(=O)Cn3cnc4sc(C)c(C)c4c3=O)o2)cs1 12618988 CDOGQVRPHAENLH-UHFFFAOYSA-N 414.512 3.416 0 40 HGAB COc1ccc(C(=O)C2CCN(C(=O)[C@@H](NC(=O)c3ccco3)C(C)C)CC2)cc1 12740368 IGARNIMVTLRLQW-FQEVSTJZSA-N 412.486 3.164 0 40 HGAB O=C(C1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1)N1CCc2ccccc2C1 12758759 RFIFVTUABQJKLU-UHFFFAOYSA-N 418.946 3.326 0 40 HGAB C[C@@H](C(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1)N1CCC(O)CC1 13004565 HPXYSSKTIMXCJF-LIRRHRJNSA-N 401.894 3.456 0 40 HGAB COc1ccc(C(=O)NCc2ccc(Cl)cc2Cl)cc1S(=O)(=O)N(C)C 15303849 CRLAHBKBPWHYNP-UHFFFAOYSA-N 417.314 3.182 0 40 HGAB O=C(/C=C/c1ccc(Cl)cc1)OCC(=O)N1CCN(Cc2ccccc2F)CC1 15513127 GIWOULYJRZZCHD-JXMROGBWSA-N 416.880 3.380 0 40 HGAB COC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3cc(Cl)ccc3OC)C2)cc1 15630370 OUPPOQGBVACUPL-ZDUSSCGKSA-N 402.834 3.127 0 40 HGAB NC(=O)c1cc(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(C(N)=O)c1 15927230 BVIXARIOTFIZFC-UHFFFAOYSA-N 410.433 3.352 0 40 HGAB O=C(CN(C(=O)c1csnn1)c1ccc(F)c(Cl)c1)NCCc1ccccc1 15935471 AHSOKBCPAJMKGQ-UHFFFAOYSA-N 418.881 3.336 0 40 HGAB COc1ccc(CNC(=O)CNCCOc2ccc(C(C)(C)C)cc2)cc1OC 16695414 HTRNUXLXPRZVNN-UHFFFAOYSA-N 400.519 3.286 0 40 HGAB COc1cc(NC(=O)CSc2nccn(-c3ccc(F)cc3)c2=O)cc(OC)c1 17043377 DPJNZEYZYAJBGL-UHFFFAOYSA-N 415.446 3.120 0 40 HGAB COc1ccc(O)c(NC(=S)NC(=O)c2cc(Br)ccc2OC)c1 17088762 XUFRNNYSIIAYIZ-UHFFFAOYSA-N 411.277 3.299 0 40 HGAB C[C@@H](NC(=O)CCc1cn(C)c2ccccc12)c1cc(=O)[nH]c(-c2ccccn2)n1 19458408 KMTQOIMNEDASII-OAHLLOKOSA-N 401.470 3.134 0 40 HGAB CN(C)C(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCCN(C(=O)c2cc[nH]n2)C1 19579237 PWXBVEHQTPHDPJ-DEOSSOPVSA-N 417.513 3.025 0 40 HGAB CNC(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CCCN(C(=O)[C@H]2CCCO2)C1 19591055 WBVIVWCDJPRGML-XXBNENTESA-N 412.555 3.491 0 40 HGAB COc1ccc([C@H]2c3nc[nH]c3CCN2C(=O)c2cc(=O)n(C)c3ccccc23)cc1 19666177 JLPLXYFHLSSSRJ-QHCPKHFHSA-N 414.465 3.058 0 40 HGAB COc1ccc(C)cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2cc(F)ccc2F)C1 20016982 HIDHYTSGUQZAPU-CQSZACIVSA-N 424.469 3.321 0 40 HGAB CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)N2CCN(C)CC2)[C@H]1c1cccs1 20508296 RKGILORZWVCPSG-NHCUHLMSSA-N 411.571 3.459 0 40 HGAB O=C(c1cccc(S(=O)(=O)NCc2cccs2)c1)N1CCc2sccc2C1 21629156 MFGFLQZJAOHALQ-UHFFFAOYSA-N 418.565 3.487 0 40 HGAB CN(c1ccc(OCC(=O)Nc2cccc(Cl)c2Cl)cc1)S(C)(=O)=O 22230554 CSBBHBWUXLLVMG-UHFFFAOYSA-N 403.287 3.407 0 40 HGAB CS(=O)(=O)N(Cc1ccccc1)c1ccc(OCC(=O)N2CCCCCC2)cc1 22231260 JQQMVOSTCUUBSO-UHFFFAOYSA-N 416.543 3.434 0 40 HGAB Cc1ccc(N(CC(=O)NCCCc2ccc(OC(C)C)cc2)S(C)(=O)=O)cc1 22327782 FNORCUMSMQGPNZ-UHFFFAOYSA-N 418.559 3.297 0 40 HGAB O=C(C[C@H]1CCCCN1S(=O)(=O)c1cccs1)NCc1c(F)cccc1F 22732427 VNYZANYJAATVPT-CYBMUJFWSA-N 414.499 3.276 0 40 HGAB CCN(Cc1ccc2c(c1)OCO2)C(=O)CN1CCN(C/C=C/c2ccccc2)CC1 22777617 ICWIGJDYXWEGAX-RMKNXTFCSA-N 421.541 3.095 0 40 HGAB CCCCCNC(=O)c1ccc(NC(=O)C[C@H]2SC(N3CCCC3)=NC2=O)cc1 23078800 LLJJEJWYPHYJTO-QGZVFWFLSA-N 416.547 3.029 0 40 HGAB Cc1ccccc1C(=O)N1CCC(C(=O)NC[C@H](C)N2CCc3ccccc3C2)CC1 25631775 NIZIJRSVMISBIE-FQEVSTJZSA-N 419.569 3.410 0 40 HGAB O=C(c1cc(S(=O)(=O)Nc2ccccc2SC(F)F)c[nH]1)N1CCCC1 26534553 HHMSQYJMRPZUQN-UHFFFAOYSA-N 401.460 3.366 0 40 HGAB CCOc1ccc2oc(C(=O)OCCOc3ccc(S(N)(=O)=O)cc3)c(C)c2c1 27325920 IPDYEBNBBYZDDL-UHFFFAOYSA-N 419.455 3.023 0 40 HGAB C[C@@H](C(=O)NCc1ccc(F)cc1)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 27543632 NJFUFISCOLQYIF-HNNXBMFYSA-N 424.442 3.457 0 40 HGAB COc1ccc(CN(C(=O)[C@H]2[C@@H](C=C(C)C)C2(C)C)[C@@H]2CCS(=O)(=O)C2)cc1 28251020 GCPAZEFEFVJBNE-MISYRCLQSA-N 405.560 3.449 0 40 HGAB CCc1ccc2oc(C(=O)NC[C@H](c3ccc(C)cc3)N3CCOCC3)cc(=O)c2c1 28288977 CFCVGBUKGGYVDN-OAQYLSRUSA-N 420.509 3.467 0 40 HGAB Cc1ccc(CN(C[C@@H](O)COc2ccc(Cl)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 32593762 KOCORJAUWQZPKM-WOJBJXKFSA-N 423.962 3.077 0 40 HGAB O=C(NCCc1c[nH]c2ccccc12)c1cccc(S(=O)(=O)NCc2ccco2)c1 33028100 CISZEXWJDYDXDI-UHFFFAOYSA-N 423.494 3.212 0 40 HGAB Cc1ccn(C(=O)c2ccc(S(=O)(=O)NC(C)(C)C)o2)/c(=N/C2CCCCC2)c1 33164382 YUAAFVZJWVKBHI-RELWKKBWSA-N 419.547 3.388 0 40 HGAB CCc1cccc(C)c1-n1nnnc1C1(N2CCNCC2)C2CC3CC(C2)CC1C3 35170764 IKGFTQINVFUFDP-UHFFFAOYSA-N 406.578 3.090 0 40 HGAB COc1ccc(Cc2nnc(NC(=O)Cn3sc4ccccc4c3=O)s2)cc1 36365417 AUUUXZXWDYAKQL-UHFFFAOYSA-N 412.496 3.153 0 40 HGAB CC(C)(C)c1nnc(NC(=O)c2ccc(-n3nnc4ccccc4c3=O)cc2)s1 36366528 CUFKPJGBFYMGKY-UHFFFAOYSA-N 406.471 3.182 0 40 HGAB CCOC(=O)c1sc(N(CC)C(=O)Cn2nc(C(F)F)c3c2CCC3)nc1C 36614244 JIJBOMJDBANBIX-UHFFFAOYSA-N 412.462 3.304 0 40 HGAB O=C(Nc1ccc(Br)cc1Br)c1cccc(-n2cnnn2)c1 36821949 RUTCTKQZFQJOKD-UHFFFAOYSA-N 423.068 3.440 0 40 HGAB COc1ccc([C@H](C)NC(=O)[C@H](C)N(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1 38753513 IRLBUXHQMSKVAX-IRXDYDNUSA-N 404.532 3.344 0 40 HGAB O=C(Cc1cc2ccccc2[nH]c1=O)NCCCNc1ccc(C(F)(F)F)cn1 40108770 FPUNADICTZIIQD-UHFFFAOYSA-N 404.392 3.103 0 40 HGAB CCc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(Nc4ccc(C)cc4)[nH]c(=O)c32)cc1 40400389 DAUAGSKGULVRSI-KRWDZBQOSA-N 417.469 3.449 0 40 HGAB CCCCn1c(=O)c2sccc2n(CC(=O)N(C)c2cccc(Cl)c2)c1=O 57427310 FKFBMNIPQNYZOZ-UHFFFAOYSA-N 405.907 3.341 0 40 HGAB CC(C)(CN1CCN(c2ccccc2)CC1)NS(=O)(=O)c1ccc(Cl)cc1 57532413 XKJYTQWQRQPBTC-UHFFFAOYSA-N 407.967 3.219 0 40 HGAB CCCNC(=O)[C@H]1CN(S(=O)(=O)c2ccc(C)cc2)c2cc(Cl)ccc2O1 64986187 NUCHYWCMVDAOEQ-GOSISDBHSA-N 408.907 3.131 0 40 HGAB CN(C)c1ccc(Br)c(S(=O)(=O)Nc2ccc(F)c(C(=O)O)c2)c1 89323072 YXDZONLEEATTGC-UHFFFAOYSA-N 417.256 3.153 0 40 HGAB COc1ccccc1CC(=O)N1CC[C@H](N(C(=O)Cc2ccccc2OC)C2CC2)C1 95431181 CXWHZDUKGIKWQX-NRFANRHFSA-N 422.525 3.081 0 40 HGAB COc1cccc2[nH]cc([C@@H](CC(=O)N[C@@H]3CCS(=O)(=O)C3)c3ccccc3)c12 95475462 FXXRUKHTLRVEPL-SJORKVTESA-N 412.511 3.002 0 40 HGAB CC[C@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)O 95627344 ARWIWKBRNYMFJM-PWIZWCRZSA-N 412.486 3.140 0 40 HGAB CN1C(=O)CC[C@@H](C(=O)N2CCN(Cc3ccccc3)CC2)[C@H]1c1ccc(F)cc1 96182564 JVEWLUBLUCCFAF-FYYLOGMGSA-N 409.505 3.080 0 40 HGAB CN(CCc1ccccn1)C(=O)[C@H]1C[C@H]2CC[C@@]1(C)C[C@@]21NC(=O)c2ccccc2O1 100180500 ZPFSEKJMBPOXEM-XKEWOQQVSA-N 419.525 3.428 0 40 HGAB N=c1c2nc(-c3cccc(Oc4ccccc4)c3)[nH]c(=O)c2[nH]c(=O)n1-c1ccccc1 100945625 NQGYTBIXTZXOQL-UHFFFAOYSA-N 423.432 3.341 0 40 HGAB COc1ccc(OC)c([C@H]2C=C(C(=O)O)Nc3c(C(=O)Nc4ccccc4)cnn32)c1 102820722 IQLHNYNTGMQWPP-GOSISDBHSA-N 420.425 3.136 0 40 HGAB CCOc1ccccc1CCCNC(=O)c1ccc(NS(C)(=O)=O)cc1Cl 216461376 OUWHHLFKAXOLSL-UHFFFAOYSA-N 410.923 3.473 0 40 HGAB COC[C@@]1(CN)[C@@H](S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1ccc(Br)cc1 218229064 FZKUGDLVSLHEID-GBESFXJTSA-N 424.360 3.289 0 40 HGAB COc1ccc(-c2noc(CNC(=O)[C@@H](C)Oc3ccc(C)c(C)c3)n2)c(OC)c1 219521498 PYFJTQZTKJJIQR-OAHLLOKOSA-N 411.458 3.454 0 40 HGAB CCOC(=O)c1ccc(C)c(NC(=O)c2ccc(N3CCCCS3(=O)=O)cc2)c1 222586890 PILWFLMAMDGKCN-UHFFFAOYSA-N 416.499 3.354 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N(C)c2ccc(OC)cc2)c(C)c1 222818823 URRSTJGKMOXGFS-UHFFFAOYSA-N 420.531 3.076 0 40 HGAB CN(C)CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1Cc1ccccn1 223240528 UIMDSFULHUEBFI-YADHBBJMSA-N 420.586 3.251 0 40 HGAB Cc1ccc(C(=O)NCCCOC2CCCCC2)cc1N1CCCCS1(=O)=O 224399215 HIEHZZSCBFYZSV-UHFFFAOYSA-N 408.564 3.394 0 40 HGAB COC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(Br)cc1 224724259 IQXFKXLBZHOISQ-UHFFFAOYSA-N 412.305 3.434 0 40 HGAB CCOc1ccccc1CCCNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 225567558 FOPZTDYBWREYSC-UHFFFAOYSA-N 416.543 3.232 0 40 HGAB CCCSc1nnc(NS(=O)(=O)c2ccc3c(c2)sc(=O)n3CC)s1 225700520 MEBVATIKTOWSGS-UHFFFAOYSA-N 416.575 3.237 0 40 HGAB NC(=O)C[C@@]1(COc2cccc(Cl)c2)CN(Cc2ccc3cc[nH]c3c2)CCO1 257314200 UVTCQEGJFPKFPU-QFIPXVFZSA-N 413.905 3.347 0 40 HGAB Cc1cc(S(=O)(=O)NCc2ccccc2)ccc1OCC(=O)N1CCC(C)CC1 408536074 XSZVDRDUTLELGI-UHFFFAOYSA-N 416.543 3.111 0 40 HGAB CC[C@@H]1Oc2ccc(S(=O)(=O)NC(=O)c3csc(C(C)C)c3)cc2NC1=O 585281219 HFCLGHBALVUFSI-AWEZNQCLSA-N 408.501 3.100 0 40 HGAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)c1ccc(-n2ncc(C(=O)O)c2C)cc1 621534258 JMQFFPVOMBVOCC-UHFFFAOYSA-N 420.469 3.206 0 40 HGAB O=C(N[C@H]1CCc2cc(O)ccc2C1)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1 683509705 PVNDJRIXWACTEO-INIZCTEOSA-N 405.903 3.026 0 40 HGAB CC(C)C[C@H]1COCCCCCC2(CCNCC2)C(=O)N[C@@H](CC(C)C)C(=O)N1 2037931646 WUERWPSPFKGKOB-PMACEKPBSA-N 409.615 3.009 0 40 HGAB O=C(COc1ccc(S(=O)(=O)NC2CCCC2)cc1)NCCC1=CCCCC1 983533 BYHWALUBUQBFIN-UHFFFAOYSA-N 406.548 3.293 0 40 HGAB O=C(Nc1cc(Cl)ccc1Cl)c1ccc(S(=O)(=O)N2CCOCC2)cc1 1515487 LJQCOPQLOXZGBU-UHFFFAOYSA-N 415.298 3.267 0 40 HGAB Cc1ccc(NC(=O)COC(=O)[C@@H](CC(C)C)N2C(=O)c3ccccc3C2=O)cc1 1910804 ODUNPSXOFKJRNP-LJQANCHMSA-N 408.454 3.188 0 40 HGAB COCCN1CC(=O)N2[C@@H](c3ccc(Cl)cc3)c3[nH]c4ccccc4c3C[C@@H]2C1=O 2102943 SQJIYSHGLGXDMO-KNQAVFIVSA-N 423.900 3.153 0 40 HGAB biogenic CC(C)(C)OC(=O)c1c(N)n(CCCN2CCCC2=O)c2nc3ccccc3nc12 2247345 ILWLRBJWORNTMQ-UHFFFAOYSA-N 409.490 3.135 0 40 HGAB CC(C)[C@@H]1N=C2c3ccccc3N=C(SCC(=O)NCCc3ccccc3)N2C1=O 2965453 FJIPXQSJUZBWBA-FQEVSTJZSA-N 420.538 3.393 0 40 HGAB Cc1ccc(S(=O)(=O)c2c(N)n(C[C@H]3CCOC3)c3nc4ccccc4nc23)cc1 3169526 PATLRCDVWWHKOB-OAHLLOKOSA-N 422.510 3.344 0 40 HGAB O=C(NCc1ccccc1)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 3569721 IFUFLTJUDIEKCP-UHFFFAOYSA-N 424.478 3.189 0 40 HGAB CC(=O)NC(=S)Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)c(Cl)c1 4121944 PWXVAKTWUSVYIA-UHFFFAOYSA-N 422.963 3.197 0 40 HGAB O=C(C[C@]1(O)C(=O)N(Cc2ccc3c(c2)OCO3)c2ccccc21)c1ccccc1O 4544870 HEHYKPZUGBGGEC-XMMPIXPASA-N 417.417 3.128 0 40 HGAB CCOc1ccc2[nH]c(=O)c(CN(C[C@H]3CCCO3)C(=O)N(CC)CC)cc2c1 4861499 HRRGFEMYMSUTFI-LJQANCHMSA-N 401.507 3.370 0 40 HGAB CCC[C@]1(C(=O)OC)N[C@@H](c2ccc(C)cc2)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@H]21 4885822 BUKVTGGQIXTIFJ-UKDJSQQHSA-N 420.509 3.465 0 40 HGAB CCn1c(SCC(=O)NC[C@@H]2COc3ccccc3O2)nnc1-c1cccs1 4954811 HDOGROWLBDOWTK-CYBMUJFWSA-N 416.528 3.075 0 40 HGAB O=S(=O)(NCc1csc(-c2cccnc2)n1)c1ccc(Br)cc1 5151836 LMONDBIHNXOFHP-UHFFFAOYSA-N 410.318 3.446 0 40 HGAB O=C(CSc1nnc2ccc(-c3ccc(F)cc3)nn12)NCc1ccc(F)cc1 5168039 GCNQFHJBSWARCQ-UHFFFAOYSA-N 411.437 3.478 0 40 HGAB CCOc1ccc(N2C[C@H](NC(=O)c3ccccc3Br)CC2=O)cc1 5195874 RMDAESPRCIFRMB-CYBMUJFWSA-N 403.276 3.383 0 40 HGAB Cc1ccc(Cl)cc1N1CCN(S(=O)(=O)C[C@]23CC[C@H](CC2=O)C3(C)C)CC1 5330957 AFRMFWLXYPQQJG-IIBYNOLFSA-N 424.994 3.496 0 40 HGAB CCn1c2ccccc2c2cc(NC(=O)[C@@H](C)Sc3nc(N)nc(N)n3)ccc21 5362946 MUSSMQBOEVYIAZ-LLVKDONJSA-N 407.503 3.283 0 40 HGAB CC1=C[C@H]([C@@H]2CC(=O)N(c3ccccc3)C2=O)CC2=C1C(=O)N(c1ccccc1)C2=O 5416380 JJEWAJQNVJSFOW-LPHOPBHVSA-N 412.445 3.402 0 40 HGAB Cn1c(SCC(=O)Nc2c(F)cccc2F)nc2sc3c(c2c1=O)CCC3 5570947 AVEXOFJBFIPYLL-UHFFFAOYSA-N 407.467 3.493 0 40 HGAB CCCCOc1ccc(/C=C/C(=O)OCC(=O)NC(=O)NCC(C)C)cc1OCC 5981343 UZOLORVQKNMBFB-PKNBQFBNSA-N 420.506 3.302 0 40 HGAB CC(C)(C)c1ccc(COc2ccc(S(=O)(=O)N3CCCC3)cc2C(N)=O)cc1 6127752 PHSZVVILSMDLJF-UHFFFAOYSA-N 416.543 3.447 0 40 HGAB Cc1ccccc1SCCNC(=O)CN(c1ccccc1Cl)S(C)(=O)=O 6208030 ZWZCRDCXHXCCJW-UHFFFAOYSA-N 412.964 3.323 0 40 HGAB O=C(Nc1ccc(F)cc1F)NC1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 6221616 LBKRKPHMRXTOKX-UHFFFAOYSA-N 413.421 3.079 0 40 HGAB CNC(=O)NC(=O)[C@H](C)Sc1nnc(-c2ccc(F)cc2)n1Cc1ccccc1 6531624 GNEXOXNVJVLKBS-ZDUSSCGKSA-N 413.478 3.069 0 40 HGAB COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)Nc2nccs2)cc1 6578436 AKGWDQYIRXDMJZ-UHFFFAOYSA-N 403.485 3.229 0 40 HGAB COc1cc(CCC(=O)O[C@H](C)C(=O)N[C@H]2CCCC[C@H]2C)cc(OC)c1OC 6639302 YWEMHMBMZBKCPF-INMHGKMJSA-N 407.507 3.272 0 40 HGAB Cc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)N3CC[C@@H](C)[C@H]4CCCC[C@@H]43)=C2)cc1 6800291 FGFFGUWDGCADLG-POAQFYNOSA-N 415.559 3.285 0 40 HGAB COc1ccc(CNC(=O)CN(CCC(C)C)S(=O)(=O)c2ccccc2)cc1 6906687 HMIDAJUKEVWQNK-UHFFFAOYSA-N 404.532 3.048 0 40 HGAB C[C@@H](OC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)C(=O)c1ccccc1 6931927 CPZDCLITQKVFNU-OAHLLOKOSA-N 413.451 3.186 0 40 HGAB O=C(Cc1ccc2c(c1)OCCO2)Nc1ccc2nc(N3CCOCC3)sc2c1 7990656 JOWCWJQMUVJXMX-UHFFFAOYSA-N 411.483 3.085 0 40 HGAB C[C@H](NC(=O)CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)c1cccs1 8036347 GFENTKILMREEEO-INIZCTEOSA-N 419.506 3.421 0 40 HGAB Cc1nc2ccccc2n1CCNC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCC3 8134982 LRZVMOIXXOSARS-UHFFFAOYSA-N 415.497 3.211 0 40 HGAB Cc1ccc(OCC(=O)N(C)C[C@@H]2COc3ccccc3O2)c(Br)c1 8708420 JQJBVZHPTLDRAM-CQSZACIVSA-N 406.276 3.435 0 40 HGAB O=C1[C@H]2[C@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C(=O)N1c1ccc2ccccc2c1 9012098 MKPIBSLBSTYPPT-FYBXHKAZSA-N 423.472 3.271 0 40 HGAB Nc1cc(N)nc(SCC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 9492240 VWWXCYKUPFVTLI-UHFFFAOYSA-N 411.331 3.409 0 40 HGAB Cc1ccn2cc(-c3ccc(NS(=O)(=O)c4ccc5c(c4)OCCO5)cc3)nc2n1 9572197 YMPHMOFIVFCQER-UHFFFAOYSA-N 422.466 3.277 0 40 HGAB CCS(=O)(=O)c1ccc(-c2cccc(NC(=O)Cc3ccc(OC)cc3)c2)nn1 9626808 KIMZNRQMJSIOBH-UHFFFAOYSA-N 411.483 3.127 0 40 HGAB Cc1cc(C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)ccc1NS(C)(=O)=O 10112984 RGTLUZOBSJYNJD-UHFFFAOYSA-N 421.950 3.291 0 40 HGAB C[C@H]1C[C@H](C)CN(CCCNC(=O)c2ccc(I)cc2)C1 10542901 OUVBVXAIUWEIHD-KBPBESRZSA-N 400.304 3.389 0 40 HGAB Cc1cc(NC(=O)COC(=O)c2cc(Cl)ccc2O)n(-c2ccc(F)cc2)n1 10944735 BFRWWLIUDWVZSY-UHFFFAOYSA-N 403.797 3.474 0 40 HGAB O=C(CN1N=C(c2ccccc2)Cn2c(cc3sccc32)C1=O)NCc1ccco1 12113592 QJXZSJSHVNEWBW-UHFFFAOYSA-N 418.478 3.472 0 40 HGAB O=C(NC[C@@H]1CCCO1)C1(Cc2cc(-c3ccc(F)cc3F)no2)CCOCC1 12365655 JHARPSPRWKFCOH-HNNXBMFYSA-N 406.429 3.254 0 40 HGAB CN(CC(=O)Nc1ccc(C(C)(C)C)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 12757962 BQOHWRLVEJAGAB-UHFFFAOYSA-N 418.515 3.015 0 40 HGAB Cc1cc(C)c(NC(=O)CN(C)C(=O)CCN2C(=O)[C@@H](C)Oc3ccccc32)c(C)c1 12761440 BWPVEAMCQGHHMX-GOSISDBHSA-N 423.513 3.213 0 40 HGAB CCOC(=O)/C=C/c1ccc(NC(=O)c2cc(C)c(C)c(S(=O)(=O)NC)c2)cc1 13000270 XPJJMLZGXURISL-DHZHZOJOSA-N 416.499 3.040 0 40 HGAB O=C(NCc1ccc(F)cc1)c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN12 13041118 JSNMEZJJUADTGB-UHFFFAOYSA-N 401.463 3.237 0 40 HGAB CCOC(=O)c1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCC3)c2)cc1 13583088 INEADFLOIAWEDY-UHFFFAOYSA-N 416.499 3.209 0 40 HGAB CC[C@H](C)[C@@H](CO)NC(=O)[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(C)C 13727989 DQVCUIMSLAVQPE-ZEYPLWLESA-N 410.558 3.483 0 40 HGAB CC(C)[C@H](NS(=O)(=O)c1ccccc1)C(=O)OCc1cn2cc(Cl)ccc2n1 15336319 DBRRAHBWACBRJD-SFHVURJKSA-N 421.906 3.034 0 40 HGAB COc1ccc(NC(=O)C[S@@](=O)c2ncc(-c3ccc(Cl)cc3)n2C)cc1 17144355 TUTZDBJWDVARBG-MHZLTWQESA-N 403.891 3.495 0 40 HGAB CNC(=O)c1ccc(NC(=O)CN2CCc3cc(-c4csc(C)n4)ccc32)cc1 17524757 RRAPLWBYDAFWBK-UHFFFAOYSA-N 406.511 3.479 0 40 HGAB C[C@H](Oc1ccccc1F)C(=O)N1CC[C@H](c2cc(O)nc(-c3ccncc3)n2)C1 19077691 IDVXEYXWPSKWCF-HOCLYGCPSA-N 408.433 3.167 0 40 HGAB Cc1cc(C)n(-c2ccc(CCC(=O)N[C@@H]3CC(=O)N(c4ccc(F)cc4)C3)cc2)n1 19655968 MBJCXRMKVGPRDX-HXUWFJFHSA-N 420.488 3.483 0 40 HGAB O=C(NCc1ccccc1Cl)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 19857424 HHHVPCSRKCSYIU-SFHVURJKSA-N 406.935 3.198 0 40 HGAB CC[C@@H](NS(=O)(=O)c1ccc(OC)c(N2CCCC2=O)c1)c1ccc(OC)cc1 20043220 IYZAZNNYFBRRBR-GOSISDBHSA-N 418.515 3.260 0 40 HGAB Cc1cccc(S(=O)(=O)NC[C@@H](c2cccn2C)N2CCc3ccccc3C2)c1 21153603 FKCIRRVIBJHYOP-QHCPKHFHSA-N 409.555 3.411 0 40 HGAB C[C@H]1Cc2cc(C(=O)N(Cc3ccccc3F)C3CC3)ccc2N1S(C)(=O)=O 21934717 FDQAHSXZRFIXGR-AWEZNQCLSA-N 402.491 3.341 0 40 HGAB CC(=O)Nc1ccc(NC(=O)CN2CCCN(Cc3ccc(Cl)cc3)CC2)cc1 22844773 GKYREQWDVUJIOU-UHFFFAOYSA-N 414.937 3.445 0 40 HGAB COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cc(C)nc2ccccc12 23996216 MPYZWDSUKMOTAB-UHFFFAOYSA-N 402.454 3.069 0 40 HGAB c1ccc2sc(-c3ccc(CNC[C@H]([C@H]4CCOC4)N4CCOCC4)o3)nc2c1 30666077 BRLLBEUFWOPHSD-QFBILLFUSA-N 413.543 3.383 0 40 HGAB COc1ccc(SCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1OC 30866390 USKXWPFKXOKDIC-UHFFFAOYSA-N 413.499 3.232 0 40 HGAB COc1ccccc1CNC(=O)NCCCCN1CCN(c2cccc(C)c2)CC1 31083793 FWLMKZUSCSYYMY-UHFFFAOYSA-N 410.562 3.405 0 40 HGAB NC(=O)[C@H]1CC(C(=O)Nc2ccc(Cl)c3ncccc23)=NN1c1ccc(F)cc1 32770930 OIRSENXBTKRWRC-QGZVFWFLSA-N 411.824 3.086 0 40 HGAB Cn1cccc1C(=O)COC(=O)[C@@H]1CCCN1c1ncc(C(F)(F)F)cc1Cl 32933363 RMZPEMFUFGTMDI-AWEZNQCLSA-N 415.799 3.487 0 40 HGAB CC(=O)N[C@H](C(=O)Nc1ccc(C)c(S(=O)(=O)Nc2ccccc2F)c1)C(C)C 33029145 BEZXBCWQFGPGDL-IBGZPJMESA-N 421.494 3.034 0 40 HGAB CCn1nccc1[C@@H](C)NC(=O)c1cc(-c2ccc(OC)cc2)nc2c1cnn2C 36613518 MGTSMPYTCAFPGM-CQSZACIVSA-N 404.474 3.351 0 40 HGAB C[C@@]12CCC(=O)N1[C@@H](C(=O)N(Cc1ccc3c(c1)OCO3)C1CCCC1)CS2 36774040 CUZLVUFABDBAQO-IIBYNOLFSA-N 402.516 3.141 0 40 HGAB CN1CCCN(C(=O)CSc2ccc3c(c2)OCCO3)c2nc3ccccc3nc21 39980493 YYSLNQNAKITCSX-UHFFFAOYSA-N 422.510 3.366 0 40 HGAB CN(C)S(=O)(=O)c1ccc(C(=O)Nc2cccc(COCc3ccco3)c2)o1 40145838 MLMOFCFMEGLSRP-UHFFFAOYSA-N 404.444 3.092 0 40 HGAB Cc1occc1C(=O)Nc1nc(CC(=O)NCCCN2CCc3ccccc32)cs1 40153772 LDDNEHDJOLBMEI-UHFFFAOYSA-N 424.526 3.408 0 40 HGAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1 44902080 PHDSPKMSCUKTHH-IBGZPJMESA-N 410.514 3.452 0 40 HGAB CCN(C(=O)CSc1nc2[nH]ncc2c(=O)n1-c1ccccc1)c1ccccc1 51316660 CZGGVPADZHOPNG-UHFFFAOYSA-N 405.483 3.254 0 40 HGAB COCCn1c(SCC(=O)NCc2ccc(Cl)cc2)nc2ccsc2c1=O 57425814 RFSKLIVDCXNZIC-UHFFFAOYSA-N 423.947 3.166 0 40 HGAB CCCCN(CC)C(=O)Cn1c(=O)n(Cc2ccccc2F)c(=O)c2sccc21 57485983 HOFBPULNZKXOOT-UHFFFAOYSA-N 417.506 3.061 0 40 HGAB COc1ccccc1C1(c2nnc(-c3ccc(S(C)(=O)=O)cc3)o2)CCOCC1 71889929 ZGSYDTITRLUKOF-UHFFFAOYSA-N 414.483 3.245 0 40 HGAB CN(CC(=O)Nc1ccccc1Cl)C(=O)CN1CCOc2ccc(Cl)cc21 78947658 BEJGKWGUCUDTKR-UHFFFAOYSA-N 408.285 3.289 0 40 HGAB COc1ccc(NC(=O)CCCn2nc(-c3ccc(OC)cc3)c(OC)cc2=O)cc1 96100893 BLGGWOAZJNBYOH-UHFFFAOYSA-N 423.469 3.355 0 40 HGAB CCOC(=O)[C@]1(C)Oc2cc(NC(=O)CSc3ccccc3)ccc2NC1=O 96182243 YAUYEARHHNNEOC-HXUWFJFHSA-N 400.456 3.070 0 40 HGAB Cc1cnc(CNC(=O)[C@H]2Cc3nc(-c4ccsc4)sc3N2CC2CC2)cn1 96264449 VRECEGKKXQNYOR-QGZVFWFLSA-N 411.556 3.428 0 40 HGAB Cc1nn(CC(=O)NC2C[C@H]3CC[C@H](C2)N3C)c2nc(C3CC3)cc(C(F)(F)F)c12 101561409 IIEKLOLXLQLENK-HUUCEWRRSA-N 421.467 3.377 0 40 HGAB COc1ccc2[nH]c3c(c2c1)CCN([C@@H]1CC(=O)N(c2ccc(F)c(F)c2)C1=O)C3 102338124 BTXDBDHNXCWRHG-HXUWFJFHSA-N 411.408 3.145 0 40 HGAB C[C@H](NC(=O)c1ccccc1)c1nnc(SCC(=O)N[C@@H]2CCCC[C@H]2C)n1C 102958483 RVIDMHALPSSIEO-HLLBOEOZSA-N 415.563 3.093 0 40 HGAB COC(=O)C1=C(c2ccc(Cl)cc2)NC(=S)N[C@H]1c1ccc(C(=O)OC)cc1 105093624 DTVZVZVQWGSIAQ-INIZCTEOSA-N 416.886 3.230 0 40 HGAB COc1ccc(Cl)cc1N([C@H](C)C(=O)NCc1ccccc1C)S(C)(=O)=O 113940907 XEHSSAMXDYLDBT-CQSZACIVSA-N 410.923 3.128 0 40 HGAB COCCNC(=O)c1ccccc1NC(=O)c1ccc(Cn2nc(C)cc2C)cc1 148847533 YORRIQVFZACZTG-UHFFFAOYSA-N 406.486 3.177 0 40 HGAB Cc1ccc(SCCNC(=O)CCCN(C)S(=O)(=O)c2ccccc2)cc1 219710511 RLTHIPCLLYENIV-UHFFFAOYSA-N 406.573 3.304 0 40 HGAB O=C(O[C@@H]1C(=O)N(c2ccccc2)C(=O)[C@H]1OC(=O)c1ccccc1)c1ccccc1 219720674 UFSLLONQAFXJCD-PMACEKPBSA-N 415.401 3.011 0 40 HGAB CC(C)Oc1cccc(N(CC(=O)N[C@H](C)CCc2ccccc2)S(C)(=O)=O)c1 220108352 LCERIAABYCBRLW-GOSISDBHSA-N 418.559 3.377 0 40 HGAB Cc1cc(S(=O)(=O)NCC(C)C)ccc1OCC(=O)N1c2ccccc2C[C@H]1C 222758891 KZDVSMJCOZLALY-QGZVFWFLSA-N 416.543 3.286 0 40 HGAB CN(C)c1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)cc1 223625224 WUKFGCFRORPLFZ-FGZHOGPDSA-N 421.570 3.293 0 40 HGAB O=S(=O)(NCc1ccnc(N2CCCCC2)n1)c1ccc(Cl)c(Cl)c1 224212755 WQACNTAKGUWZPF-UHFFFAOYSA-N 401.319 3.252 0 40 HGAB CCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)COc1ccc(OC)cc1 224516595 ZPFUQMSCTXYBKP-OAQYLSRUSA-N 414.502 3.026 0 40 HGAB CCOC(=O)[C@]1(C)N[C@H](c2ccccc2C)[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]21 229932381 KIGAHMOFTZZRJP-DBYOASNMSA-N 406.482 3.075 0 40 HGAB CC1(C)Cc2cccc(OCC(=O)NC[C@](O)(c3ccoc3)c3cccs3)c2O1 253471622 DKEHXDOYNYOATF-QFIPXVFZSA-N 413.495 3.486 0 40 HGAB COc1ccc(-c2csc(NC(=O)CN3CC[C@]4(CCCO4)[C@@H](OC)C3)n2)cc1 257288999 PWOSLNNRMBGAGK-GHTZIAJQSA-N 417.531 3.027 0 40 HGAB Cc1nc2ccccn2c1CC(=O)N1CC[C@H](Oc2cccc(Cl)c2)[C@@](C)(O)C1 257339846 ZDMGNFJILLUYIO-UGKGYDQZSA-N 413.905 3.270 0 40 HGAB COc1ccc(N(CC(=O)N[C@H](C)C(C)C)S(=O)(=O)c2ccccc2)cc1OC 260902777 VTWFMPLVKRKQAA-MRXNPFEDSA-N 420.531 3.060 0 40 HGAB COC(=O)c1ccccc1NC(=O)CNC(=O)c1ccc(COc2ccc(C)cc2)o1 408560042 BQUROSSYZQESMR-UHFFFAOYSA-N 422.437 3.322 0 40 HGAB COc1ccc(/C=C2\SC(=O)N(CC(=O)N3CCCC[C@H]3C)C2=O)c(OC)c1C 409202252 QGGLRCQXQVKJDK-GPLLRDDGSA-N 418.515 3.450 0 40 HGAB CCOc1ccc(/C=C2/SC(=O)N(CC(=O)N3CCC(C)CC3)C2=O)cc1OC 409354910 ALVSGUFCKNZOID-LDADJPATSA-N 418.515 3.389 0 40 HGAB COc1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cc(C)ccc3OC)C2)c1 409388811 FJNYBBPCHXYATG-INIZCTEOSA-N 418.515 3.052 0 40 HGAB COc1cc2[nH]c(=NC3CCN(Cc4ccccc4C)CC3)nc(N)c2cc1OC 517654915 MZTHEJHWPBMZNL-UHFFFAOYSA-N 407.518 3.036 0 40 HGAB COC[C@H](O)CNCc1ccc(OCc2ccc(Br)cc2)c(OC)c1 549267745 AEIRHMDUTUNJRI-QGZVFWFLSA-N 410.308 3.134 0 40 HGAB COc1ccc(Br)c(C(=O)N2CC[C@H](Oc3cc(C)nc(C)n3)C2)c1 585147472 QYAMHUBOAGLNSW-AWEZNQCLSA-N 406.280 3.158 0 40 HGAB Cc1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cccc(Cl)c3C)C2)n1 616019442 SBIIQFPASBWAGV-HNNXBMFYSA-N 407.923 3.391 0 40 HGAB NC(=O)[C@H](NC(=O)c1cc(Br)cc(N2CCCC2)c1)c1ccc(F)cc1 1528233670 VZXFQXLAKOEMDE-QGZVFWFLSA-N 420.282 3.145 0 40 HGAB CCc1cccc(C)c1NC(=O)COC(=O)[C@H]1CC(=O)N(c2ccc(OC)cc2)C1 794297 COPPRONDVCNZDG-KRWDZBQOSA-N 410.470 3.101 0 40 HGAB Cc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(C(=O)C(C)C)CC3)cc2)cc1 1266128 LERKMUKDSDSVCW-UHFFFAOYSA-N 424.570 3.426 0 40 HGAB O=C(CN1C(=O)S/C(=C/c2ccccc2F)C1=O)Nc1ccc(C(=O)O)cc1 1744857 OJIITUYAUKOAHA-OQLLNIDSSA-N 400.387 3.199 0 40 HGAB Cc1csc(Sc2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccccc2Cl)n1 2339599 ZKAQGGSFTBNSIZ-UHFFFAOYSA-N 419.919 3.041 0 40 HGAB CCOC(=O)c1sc(NC(=O)c2ccc3c(c2)OCO3)c(C(=O)OCC)c1C 2674886 PFLYQWNIWPJAGQ-UHFFFAOYSA-N 405.428 3.391 0 40 HGAB Cc1cccc(NC(=O)CNC(=O)COc2ncnc3sc4c(c23)CCCC4)c1C 3443451 FHONQDRGONFDAH-UHFFFAOYSA-N 424.526 3.321 0 40 HGAB CC(C)c1ccc(OCC(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)cc1 4183504 KRHOVEUPNKZUMH-QGZVFWFLSA-N 407.557 3.466 0 40 HGAB CC(C)CC(=O)Nc1ccc(C(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)cc1 4288992 KMOQIKDABCHZFE-QHCPKHFHSA-N 407.470 3.321 0 40 HGAB CCOC(=O)C1(c2ccccc2)CCN(C[C@@H](O)c2ccc(NC(C)=O)cc2)CC1 4429977 BGWZZQHBKDDJJE-JOCHJYFZSA-N 410.514 3.275 0 40 HGAB COc1ccc(N2C[C@H](NC(=O)Nc3ccccc3SC)CC2=O)cc1OC 4479828 LWHZCUSZFOMNJH-CYBMUJFWSA-N 401.488 3.353 0 40 HGAB CCOCCn1ccc2c(OCC(=O)Nc3ccc(F)cc3F)cccc2c1=O 4584407 JECXUEIONFGFFL-UHFFFAOYSA-N 402.397 3.334 0 40 HGAB CC(C)N(C(=O)Cn1c(SCC(=O)N2CCCC2)nc2ccccc21)C(C)C 4859258 PUKJOOBTFPQVAU-UHFFFAOYSA-N 402.564 3.396 0 40 HGAB COc1ccc(Cl)cc1NC(=O)[C@@H](C)Sc1nnnn1-c1ccc(O)cc1 5053543 MNHRZKXHRGMULT-SNVBAGLBSA-N 405.867 3.149 0 40 HGAB Cn1ccs/c1=N\C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 5938087 DCLLZKINLIPUPQ-ZPHPHTNESA-N 413.952 3.046 0 40 HGAB CC(C)C(=O)N1CCN(c2ccc(NC(=S)NC(=O)Cc3ccccc3)cc2)CC1 6238771 SQBOCZMQUVHCOH-UHFFFAOYSA-N 424.570 3.047 0 40 HGAB CCCOc1ccccc1C(=O)N(Cc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 6811092 LVLIORQTCBZAMN-QGZVFWFLSA-N 405.491 3.444 0 40 HGAB COc1ccc(C(=O)N[C@H](C)c2ccc(Cl)cc2)cc1S(=O)(=O)NC1CC1 7313064 WGTBDQLCSUILFY-GFCCVEGCSA-N 408.907 3.280 0 40 HGAB C[C@]12CCC(=O)N1[C@@H](C(=O)Nc1ccc(-c3nnc4n3CCCCC4)cc1)CS2 7407306 AYYBJNCJLCPIDA-IERDGZPVSA-N 411.531 3.064 0 40 HGAB Cc1nc(-c2ccc(CNC(=O)CCc3c(C)nc4ncnn4c3C)s2)cs1 7821433 ANBDVTOOEXCKCU-UHFFFAOYSA-N 412.544 3.484 0 40 HGAB Cc1cccc(C)c1N1C[C@@H](C(=O)OCC(=O)Nc2cccc(Cl)c2)CC1=O 8433819 DAISLPHRRWAUDL-HNNXBMFYSA-N 400.862 3.492 0 40 HGAB O=C(CSc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)Nc1ccccc1Cl 8519247 YNMFKCZYICPZSJ-UHFFFAOYSA-N 411.874 3.493 0 40 HGAB O=C(CSc1nnc2ccccn12)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 8540826 AZYQYZZMZYIBIT-MRXNPFEDSA-N 410.499 3.346 0 40 HGAB COc1ccc(CCNC(=O)c2c(N)oc3ccc(Br)cc3c2=O)cc1 8871252 TUFIZOHJLLDTBQ-UHFFFAOYSA-N 417.259 3.119 0 40 HGAB COc1ccc(C(=O)N(Cc2cc3ccccc3[nH]c2=O)C[C@@H]2CCCO2)cc1OC 9237213 YRFFWCAIZLHTGM-IBGZPJMESA-N 422.481 3.367 0 40 HGAB COc1ccccc1N1C[C@H](C(=O)OCc2cc(=O)oc3cc(C)ccc23)CC1=O 9442941 BDKPQVLIUCXEQM-OAHLLOKOSA-N 407.422 3.206 0 40 HGAB Cc1ccc(-n2c(SCc3cn4ccccc4n3)nnc2N2CCOCC2)cc1 9683431 ZOJOWZSTCMFKKY-UHFFFAOYSA-N 406.515 3.352 0 40 HGAB COCCNC(=S)N(Cc1ccc(F)cc1)Cc1cc2cc(C)ccc2[nH]c1=O 9704239 ZGVAXLBUCVIMRW-UHFFFAOYSA-N 413.518 3.499 0 40 HGAB O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)s1)c1cc(F)ccc1F 9985299 KPTYHICXKFKAPZ-UHFFFAOYSA-N 400.472 3.131 0 40 HGAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nn1cnc2c(cnn2-c2ccccc2)c1=O 10251247 BALZLUVKCYCWGC-UHFFFAOYSA-N 423.860 3.163 0 40 HGAB Cn1c(SCC(=O)NC[C@H]2CCCO2)nc2scc(-c3cccs3)c2c1=O 10867979 ZEJREGCYJLYNLZ-LLVKDONJSA-N 421.569 3.111 0 40 HGAB CCOc1ccc([C@@H](C)NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 11172341 QEADAVYCFXXRRT-QGZVFWFLSA-N 416.543 3.363 0 40 HGAB COc1ccc(NC(=O)C[C@H]2CCCCN2S(=O)(=O)c2ccccc2)c(OC)c1 11612591 YPGGEYROUCZDQG-MRXNPFEDSA-N 418.515 3.276 0 40 HGAB CC(=O)N1c2ccc([C@H](O)CN3CCC(O)(c4ccccc4C)CC3)cc2C[C@@H]1C 12146840 KLVMYAZBIBJBJQ-MHECFPHRSA-N 408.542 3.310 0 40 HGAB Cc1sc2ncn(CC3(O)CCN(C(=O)C4CCCCC4)CC3)c(=O)c2c1C 12188601 QHAJZDYQCPPVSH-UHFFFAOYSA-N 403.548 3.009 0 40 HGAB COc1ccc2oc(=O)c(-c3ccc(OCC(=O)N4CCC(=O)CC4)cc3)cc2c1 12321688 IOMMUFQMVKRFOO-UHFFFAOYSA-N 407.422 3.039 0 40 HGAB COc1ccc(CCNC(=O)[C@@H]2CCCN(c3cnc4ccccc4n3)C2)cc1OC 12414691 VTGHKNZXWRCPPK-GOSISDBHSA-N 420.513 3.222 0 40 HGAB CC(=O)Nc1cccc(NC(=O)CCNS(=O)(=O)c2ccc3ccccc3c2)c1 12906274 QFXDNSQFYPBJKM-UHFFFAOYSA-N 411.483 3.105 0 40 HGAB Cc1cc(C)c(NC(=O)CNC(=O)[C@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)c(C)c1 12945638 TVBLNXSUHKFQCM-ICSRJNTNSA-N 407.514 3.276 0 40 HGAB COc1ccc([C@H](NC(=O)Cn2cnc3sccc3c2=O)c2ccccc2)cc1 14124508 JHFFCPFRLVQQMH-HXUWFJFHSA-N 405.479 3.372 0 40 HGAB CCCN1C(C)=NS(=O)(=O)c2cc(C(=O)Nc3cc(OC)ccc3OC)ccc21 15867582 WFSVINZXOCDPRZ-UHFFFAOYSA-N 417.487 3.293 0 40 HGAB O=C1OC(c2ccc3c(c2)OCO3)=N/C1=C\c1cccc(I)c1 16399198 QZXNGGUCAHRZMJ-QPEQYQDCSA-N 419.174 3.364 0 40 HGAB CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCCN(C(=O)c4ccc(=O)[nH]c4)C3)cc2N1 19520662 KOWQXJUUMDLRCG-SQWLQELKSA-N 423.439 3.289 0 40 HGAB CCNC(=O)[C@]1(Cc2cc(-c3ccccc3)no2)CCCN(C(=O)c2cccnc2)C1 19528653 OMDHSEOBCUOWKC-DEOSSOPVSA-N 418.497 3.338 0 40 HGAB COc1ccc(-n2ncc(C(=O)C3CCN(C(=O)C[C@H]4C=CCC4)CC3)c2N)cc1 19558840 RYBFJWBYCLZJFW-INIZCTEOSA-N 408.502 3.241 0 40 HGAB Cc1nc([C@H](Cc2c[nH]c3ccccc23)NC(=O)Cc2sc(C)nc2C)cc(=O)[nH]1 19560462 ATNMWDHRPQHNED-SFHVURJKSA-N 421.526 3.276 0 40 HGAB Cc1nc2ncnn2c(C)c1CCC(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 19578562 IKHSEYOSOSBTBI-JOCHJYFZSA-N 420.561 3.263 0 40 HGAB COc1ccc(-c2nc(C3CCN(C)CC3)[nH]c2C(=O)NCCOC(C)C)cc1 19698725 QBVXWQOHZCUCNG-UHFFFAOYSA-N 400.523 3.049 0 40 HGAB CCNS(=O)(=O)c1cc(C(=O)N[C@@H](C)c2ccc(SC)cc2)ccc1OC 20024910 PRYYYZWFFQNYED-ZDUSSCGKSA-N 408.545 3.206 0 40 HGAB Cc1ccc(S(=O)(=O)Nc2cccc(I)c2)cc1C(=O)O 20302158 VKLPPPIZRZTGQE-UHFFFAOYSA-N 417.224 3.099 0 40 HGAB C[C@@H](CO)Nc1ncnc2c1sc1nc(N3CCCC3)c3c(c12)CC(C)(C)OC3 20438865 QNMDDUDIEOIOIJ-LBPRGKRZSA-N 413.547 3.484 0 40 HGAB CCOc1cccc2c(C)nc(NC3=NCN(Cc4ccc(OC)cc4)CN3)nc12 20634415 CWGBNGRJOJJFGN-UHFFFAOYSA-N 406.490 3.134 0 40 HGAB CCN1C(SCC(=O)Nc2cc(C)ccc2OC)=NS(=O)(=O)c2ccccc21 21657653 CAALFWBPTAWBBY-UHFFFAOYSA-N 419.528 3.260 0 40 HGAB CCCc1c(COC)nc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)[nH]c1=O 22448541 JJPIHYFCEMEUJI-UHFFFAOYSA-N 410.440 3.214 0 40 HGAB Oc1c([C@@H](c2ccc(F)cc2)N2CCOCC2)sc2nc(-c3ccco3)nn12 22852236 AXJLYNUJYQLCLG-OAHLLOKOSA-N 400.435 3.317 0 40 HGAB C[C@H](NC(=O)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1)c1ccccc1 24610242 LJILZLZBGWPMFI-INIZCTEOSA-N 404.507 3.245 0 40 HGAB C[C@H](NC(=O)CCn1c(=O)[nH]c(=O)c2ccccc21)c1ccc(Cl)c(Cl)c1 27100678 UHLHECNRXJJHAV-NSHDSACASA-N 406.269 3.264 0 40 HGAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc(COCC(F)(F)F)cc1 28804696 UXOFDRGBJLCIMB-UHFFFAOYSA-N 405.376 3.274 0 40 HGAB O=C(N[C@@H]1CCOc2ccccc21)c1ccc(S(=O)(=O)Nc2ccncc2)cc1 28837034 RDMXOKSVZMJUGA-LJQANCHMSA-N 409.467 3.136 0 40 HGAB C[C@@H](CCc1ccccc1)NC(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1 30943925 XWIIDETXGNWGJV-LIRRHRJNSA-N 422.934 3.005 0 40 HGAB CNC(=O)NC(=O)CCS[C@@H](C)c1nc2scc(-c3ccccc3)c2c(=O)[nH]1 32778729 JNXMBRBRVXPXAZ-NSHDSACASA-N 416.528 3.292 0 40 HGAB Cc1cccc(N2C[C@H](C(=O)N3CCN(C(=O)Nc4ccccc4)CC3)CC2=O)c1C 32784253 IMLQIFUORJHNKI-LJQANCHMSA-N 420.513 3.033 0 40 HGAB COc1ccc(COC[C@@H](O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 32907321 QVZHMZQOIQXHDQ-ZBFHGGJFSA-N 414.527 3.169 0 40 HGAB O=C(c1cnn(-c2ccccc2)n1)N1CCC(c2nnc(-c3ccc(F)cc3)o2)CC1 38518830 RAHRBKRVINXCQQ-UHFFFAOYSA-N 418.432 3.476 0 40 HGAB CC(C)[C@H](NC(=O)c1cccc(NS(C)(=O)=O)c1)c1ccc2c(c1)OCCCO2 40049407 ROTUMHUWUIDBEP-FQEVSTJZSA-N 418.515 3.347 0 40 HGAB CCCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCc3ccccc3C2)C1=O 40159288 QCVRPZLEMYJQMX-XMMPIXPASA-N 405.498 3.209 0 40 HGAB Cc1nc(C2(NC(=O)C(=O)c3c(C)nn(-c4ccccc4)c3C)CCCCC2)no1 48310511 NEHWHPLDJGXYIR-UHFFFAOYSA-N 407.474 3.339 0 40 HGAB CC(=O)c1ccc(NC(=O)Cn2c(=O)n(CCC(C)C)c(=O)c3sccc32)cc1 57426673 KPWIYBNNFBWLAD-UHFFFAOYSA-N 413.499 3.112 0 40 HGAB COc1cccc(N2CCN(CC(=O)Nc3ccccc3Br)CC2)c1 57674845 WDSVSYRLLUJRRG-UHFFFAOYSA-N 404.308 3.218 0 40 HGAB O=C(CCc1nnc(-c2ccsc2)o1)N(CCN1CCOCC1)c1ccccc1 58144385 TURFBYCYKLIAIR-UHFFFAOYSA-N 412.515 3.096 0 40 HGAB O=C(CN1CCN(C(=O)c2ccccc2)CC1)Nc1ccc(N2CCCCCC2)cc1 58172423 MSDSUXWICSUBST-UHFFFAOYSA-N 420.557 3.464 0 40 HGAB CS(=O)(=O)Cc1cccc(NC(=O)N2CCN(c3cccc(Cl)c3)CC2)c1 58649053 IFQVVYQGTIBVHC-UHFFFAOYSA-N 407.923 3.239 0 40 HGAB COc1ccc(CNC(=O)c2nc(-c3nc(-c4ccncc4)no3)cs2)c(OC)c1 65230655 NLBMNZRGQROAPR-UHFFFAOYSA-N 423.454 3.202 0 40 HGAB O=C(c1cc(=O)n(CC(=O)N2CCc3ccccc32)c2ccccc12)N1CCCCC1 67318764 ANGMHPUEXTZEMX-UHFFFAOYSA-N 415.493 3.217 0 40 HGAB OC1(c2cccnc2F)CCN(Cc2cc3c(cc2Br)OCO3)CC1 72340000 RBRNHEPODRDRCY-UHFFFAOYSA-N 409.255 3.196 0 40 HGAB COc1cc(CN2CCC(c3cc(O)nc(-c4ccccn4)n3)CC2)cc2c1OCO2 72392863 YXBNTDVQJSFVJS-UHFFFAOYSA-N 420.469 3.361 0 40 HGAB O=C([C@@H](NCc1ccccc1CN1CCOCC1)c1ccccc1)N1CCCCC1 84519412 CRYPOTPDKSABGQ-DEOSSOPVSA-N 407.558 3.362 0 40 HGAB C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1CNc1ncc(Br)cn1 84678297 CMXZBPKRCNNOKK-PWSUYJOCSA-N 401.305 3.412 0 40 HGAB O=C(NCCc1cccnc1)c1nc(-c2cn(-c3nccs3)cn2)n2ccccc12 96155081 AQSVURPUCNAGHT-UHFFFAOYSA-N 415.482 3.011 0 40 HGAB COc1ccc(C2=NO[C@@H]3[C@H]4C[C@@H]([C@@H]5C(=O)N(c6c(C)cccc6C)C(=O)[C@H]54)[C@@H]23)cc1 100204600 DEBBZXPRNSMGBS-LLQGSFPOSA-N 416.477 3.487 0 40 HGAB CCOC(=O)c1ccc(COc2ccc(N3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2)o1 100390960 BXGYIWJXGMPZCM-WZBLMQSHSA-N 407.422 3.347 0 40 HGAB Cc1ccc(-n2cnnn2)cc1OCC(=O)Nc1ccc(OC(F)(F)Cl)cc1 101205403 WXLSBNUXDDRBGH-UHFFFAOYSA-N 409.780 3.156 0 40 HGAB Cc1ccccc1NC(=O)COC(=O)c1cccc(N2C(=O)[C@H]3CCCC[C@@H]3C2=O)c1 136287405 CFQMPOHUCUMNEN-OALUTQOASA-N 420.465 3.470 0 40 HGAB C[C@@H]1CC[C@@H]2S[Sn]3(N[C@@H]2C1)N[C@@H]1C[C@H](C)CC[C@@H]1S3 196000972 RLMYADDFGLGUPO-ZUGUKJGBSA-L 405.221 3.209 0 40 HGAB COc1ccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)c(OC)c1 219748116 PGWHOMQIRGAQCV-QGZVFWFLSA-N 424.906 3.149 0 40 HGAB CCCNS(=O)(=O)c1ccc(OCC(=O)N2c3ccccc3C[C@@H]2C)c(C)c1 222789439 VUFKDCQAMZNIJZ-INIZCTEOSA-N 402.516 3.040 0 40 HGAB COc1cccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)c1 223627070 JTRJRHKQMLULCB-SFTDATJTSA-N 408.527 3.236 0 40 HGAB COc1ccc(-c2noc(CN(C)S(=O)(=O)c3ccc(SC)cc3)n2)cc1 223769452 MPUYHUHGXAWWIO-UHFFFAOYSA-N 405.501 3.288 0 40 HGAB CC(C)(Cc1ccccc1)NC(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1 223864032 PGWCEDYJEGDWPY-SFHVURJKSA-N 422.934 3.005 0 40 HGAB CCOC(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(OC)cc1 224854053 QBSCUKPEAIJTDD-UHFFFAOYSA-N 417.405 3.472 0 40 HGAB CCOC(=O)CN(c1cccc(F)c1)S(=O)(=O)c1ccc(OC)c(Cl)c1 224961810 OICIUPFNTXFURE-UHFFFAOYSA-N 401.843 3.246 0 40 HGAB CCOC(=O)c1cnc(NC(=S)N[C@@H](CC(=O)O)c2ccc(Cl)cc2)nc1C 225225958 ZPMHGQIYRKMMAD-AWEZNQCLSA-N 422.894 3.118 0 40 HGAB CC(C)(C)SCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 225545256 XORKVSWUBBWENE-CQSZACIVSA-N 419.012 3.389 0 40 HGAB CCCO[C@@]1(C(=O)Nc2ccc(OCC(=O)N3CCOCC3)cc2)CCC[C@H](C)C1 225662219 OJGCTXKIOFRHRA-MBSDFSHPSA-N 418.534 3.238 0 40 HGAB Cc1ccc(-c2nnc(NC(=O)[C@@H](c3ccccc3)N(C)S(C)(=O)=O)s2)cc1 225664727 WHMWHQATLYNTFD-MRXNPFEDSA-N 416.528 3.085 0 40 HGAB COCCCNC(=S)Nc1nc(N2CCC(C)CC2)cc(N2CCCC[C@H]2C)n1 260740058 SBGQGAMQYDQQBL-QGZVFWFLSA-N 420.627 3.415 0 40 HGAB CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N[C@H](C)c1ccc(OC)cc1 260841234 KUQWVKADOIWXEF-QRWLVFNGSA-N 420.531 3.126 0 40 HGAB O=C(CNC(=O)C(=O)Nc1ccc(Cl)cc1)Nc1cc(Cl)cc(Cl)c1 408552679 MXXDJIFSRVNQLX-UHFFFAOYSA-N 400.649 3.340 0 40 HGAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)NCc2ccc(Cl)cc2)cc1C 408607771 OGWVVCJRJIVLET-CQSZACIVSA-N 410.923 3.030 0 40 HGAB CC(=O)c1cccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)c1 408657412 JYSBXKCBOMSLDT-GOSISDBHSA-N 408.454 3.041 0 40 HGAB Cc1ccc([C@H]2[C@H](NC(=O)c3ccc(F)cc3)C(=O)N/[N+]2=C\c2ccccc2)cc1 409053446 KCORKLIGJJGTQS-NXTBZVMJSA-O 402.449 3.150 0 40 HGAB CCc1ccc(NC(=O)CSc2nnc(CNC(=O)c3ccc(C)cc3)n2C)cc1 409331632 NZKVUOKAUARMIX-UHFFFAOYSA-N 423.542 3.347 0 40 HGAB CCC[C@H](C)NC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(OC)cc1 409390333 UOYXOFJKDSHDKA-SFHVURJKSA-N 418.559 3.233 0 40 HGAB C[C@@H](NC(=O)C1CCN(C(=O)COc2ccccc2)CC1)c1ccc(F)c(F)c1 506574515 CLULZKKJEHIGPX-OAHLLOKOSA-N 402.441 3.460 0 40 HGAB Cc1cccc(CO[C@@H]2CCOC3(C2)CN(C(=O)c2cn(C)c4ccccc24)C3)n1 575405020 QENUOBJBHDHHRH-LJQANCHMSA-N 405.498 3.472 0 40 HGAB CN1CCN(C(=O)C[C@@H](CN2Cc3ccccc3C2=O)c2ccc(Cl)cc2)CC1 1565525054 ZBBOCGRBVVWVMR-IBGZPJMESA-N 411.933 3.244 0 40 HGAB O=C(N/C(=C/c1ccccc1)C(=O)N1CCOCC1)c1ccccc1Br 854213 UFVDRIWUKHFMQQ-NBVRZTHBSA-N 415.287 3.079 0 40 HGAB CCc1nnc(NS(=O)(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)s1 1056534 FFNICCBNGQISLL-UHFFFAOYSA-N 402.501 3.083 0 40 HGAB O=C1[C@@H]2Cc3c([nH]c4ccccc34)[C@H](c3ccccc3)N2C(=O)CN1C[C@H]1CCCO1 2091988 FEFBOIZHIIZPLT-GQOCTPOGSA-N 415.493 3.032 0 40 HGAB biogenic C[C@H]1CCC[C@H](C)N1C(=O)COC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O 3373377 GOUJFYXUTVJURZ-GJZGRUSLSA-N 424.453 3.022 0 40 HGAB Cc1ccc(S(=O)(=O)N(CCCO)Cc2cc3cc(C)cc(C)c3[nH]c2=O)cc1 4161912 FYQDQBAJJPUSHY-UHFFFAOYSA-N 414.527 3.027 0 40 HGAB COc1ccc([C@H]2C(C(=O)Nc3ccc(OC)cc3OC)=C(C)Nc3ncnn32)cc1 4383864 VARBWYHIOCADHU-FQEVSTJZSA-N 421.457 3.232 0 40 HGAB COc1ccccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccc(C)c(Cl)c2)C1 4512406 FJGRWBDSNXRATC-CQSZACIVSA-N 416.861 3.192 0 40 HGAB COC(=O)c1ccccc1NC(=S)NC(=O)/C=C/c1ccc(OC)c(OC)c1 4621647 KNKIMAAQFIOBGD-PKNBQFBNSA-N 400.456 3.017 0 40 HGAB O=C(CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)NC1CC1 4694542 VRSLAAHHPJFZBH-UHFFFAOYSA-N 413.326 3.463 0 40 HGAB CCOC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(NC(=O)CC)c1 4711654 HPZAPYXMVLKLEF-UHFFFAOYSA-N 409.486 3.174 0 40 HGAB COc1ccc(OCc2nnc(S[C@@H](C)C(=O)Nc3nc(C)cs3)n2C)cc1 4814812 FBWDLHCUMRNNBS-LBPRGKRZSA-N 419.532 3.287 0 40 HGAB CC(C)NC(=O)Cn1c(SCC(=O)N2CCc3ccccc32)nc2ccccc21 4859270 RDQJSKSHHRZQHA-UHFFFAOYSA-N 408.527 3.242 0 40 HGAB CC[C@H](C)[C@H](NC(=O)N1CCn2c1nc1ccccc12)C(=O)NCCc1ccccc1 5482782 AKZNWTFGPWHXOO-UWJYYQICSA-N 419.529 3.340 0 40 HGAB C[C@H](NC(=O)Nc1cccc2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)O 5919368 JYEBKNONUNVENG-MGPUTAFESA-N 405.454 3.162 0 40 HGAB Nc1ccccc1-c1nnc(SCC(=O)Nc2ccccc2OC(F)F)nc1O 6017234 YQHJMTAOPDFXID-UHFFFAOYSA-N 419.413 3.159 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)CN2c3ccccc3C[C@@H]2C)c1 6026356 LDYPUUWLCJDEGN-KRWDZBQOSA-N 415.559 3.415 0 40 HGAB CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H](CC(=O)O)c1ccc(F)cc1 6085099 ZUFFWHASOZOLTO-DCPHZVHLSA-N 400.450 3.302 0 40 HGAB COc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)c(OC)c1 6785439 WAGJWOHSZNTSCK-UHFFFAOYSA-N 406.394 3.345 0 40 HGAB COc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3ccc4ccccc4c3)C2=O)cc1 7652650 NYTFYAADNLDPFC-QHCPKHFHSA-N 403.438 3.254 0 40 HGAB O=S(=O)(c1ccc(NCc2ccc(CN3CCCC3)cc2)nc1)N1CCCC1 7902402 KUTVFWHVNMSZSQ-UHFFFAOYSA-N 400.548 3.074 0 40 HGAB COc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3cccc4ccccc34)C2)cc1 8037727 GLCSZPIWJNWDNW-KRWDZBQOSA-N 418.449 3.383 0 40 HGAB COCc1cccc(C(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCCCC3)c2)c1 8188186 KEDHNZNRYYTWIZ-UHFFFAOYSA-N 418.515 3.269 0 40 HGAB C[C@@H]1N=C2c3ccccc3N=C(SCC(=O)NCc3ccc(Cl)cc3)N2C1=O 8609134 JKPKNXVSMHDFTH-LBPRGKRZSA-N 412.902 3.368 0 40 HGAB Cc1ccc(NC(=O)COc2ccc(N3C[C@H](C(=O)O)CC3=O)cc2)cc1Cl 8732526 OOGWUKXAHMTVNH-CYBMUJFWSA-N 402.834 3.103 0 40 HGAB Cc1nn(-c2ccccc2)c(C)c1CNC(=O)[C@@H]1CCCN1C(=O)c1cccs1 8943849 LBXWWHCZUJUCLR-IBGZPJMESA-N 408.527 3.472 0 40 HGAB O=C(NC1CCCC1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1 9094838 RNXATEULIRGGEX-IBGZPJMESA-N 406.935 3.288 0 40 HGAB Cc1ccc(SCC(=O)OCC(=O)N(C)CC(=O)Nc2ccccc2Cl)cc1 9213303 OGACNJUDWRPREG-UHFFFAOYSA-N 420.918 3.381 0 40 HGAB NC(=O)Nc1ccc(C(=O)OCC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)cc1 9390307 MMKIEDWQKDDSLX-UHFFFAOYSA-N 411.414 3.014 0 40 HGAB CC[C@]1(c2ccc(NC(=O)c3cncc(Br)c3)cc2)CCC(=O)NC1=O 9486825 CZGASCAAJDUJFZ-LJQANCHMSA-N 416.275 3.181 0 40 HGAB Cc1ccc(S(=O)(=O)Nc2nc(CC(=O)NCC3CCCCC3)cs2)cc1 9828607 JSJZPKWWIMBAEM-UHFFFAOYSA-N 407.561 3.491 0 40 HGAB O=C(NC[C@@H](c1ccco1)N1CCCC1)C1CCN(C(=O)c2cccs2)CC1 9884400 OQVXWPYSIPDLKL-KRWDZBQOSA-N 401.532 3.147 0 40 HGAB Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)N(C)Cc1nc2ccccc2s1 10286150 YASFUTGSWXVQOE-UHFFFAOYSA-N 403.529 3.127 0 40 HGAB C[C@@H](Sc1nc2ccccc2n1C1CCCCC1)C(=O)N[C@@H]1CCS(=O)(=O)C1 12506940 YIHYAQTVVZOWFW-HUUCEWRRSA-N 421.588 3.325 0 40 HGAB CCCc1noc([C@H](C)Sc2nnc(N3CCOCC3)n2-c2ccccc2)n1 12522106 QJUGZBORCBZDLW-AWEZNQCLSA-N 400.508 3.293 0 40 HGAB Cc1nc(-c2ccccc2)sc1C(=O)NN1C(=O)N[C@](C)(c2ccccc2)C1=O 12777779 MXFLLYVPBZSNNZ-OAQYLSRUSA-N 406.467 3.231 0 40 HGAB CN(Cc1ccc(Br)cc1)C(=O)Cn1nc(-c2ccc(F)cc2)oc1=O 12998108 NQWGKQJOLWTKPD-UHFFFAOYSA-N 420.238 3.064 0 40 HGAB COc1ccc(OC)c([C@@H]2CCCN2CN2C(=O)N[C@@]3(CCCC[C@@H]3C)C2=O)c1 13121515 ZZVAWRISCZFWDI-LZFQIVBZSA-N 401.507 3.299 0 40 HGAB Cc1cc(C)n2ncc(C(=O)N3CCC[C@@H]([C@@H]4CC(=O)c5ccccc5O4)C3)c2n1 13225425 QQFXRFGMSYRHLM-IERDGZPVSA-N 404.470 3.232 0 40 HGAB C[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1cccc(C(=O)NC2CC2)c1 14115981 URDUWCQAQKQGKC-IOAHRDFVSA-N 409.530 3.238 0 40 HGAB CCc1ccc(-c2noc(CN3C(=O)N[C@]4(CCOc5ccccc54)C3=O)n2)cc1 14141179 PNTVXSISHGUYKI-QFIPXVFZSA-N 404.426 3.029 0 40 HGAB Cc1ccc(S(=O)(=O)NCCC(=O)N2CCC(Cc3ccccc3)CC2)cc1C 15433832 GQKAUFPVZVPNEF-UHFFFAOYSA-N 414.571 3.453 0 40 HGAB Cc1ccc(N2C(=O)N(CC(=O)N(CC(F)(F)F)[C@H](C)C3CC3)C(=O)[C@H]2C)cc1 16695550 DPHPUGCCDUDLQR-ZIAGYGMSSA-N 411.424 3.342 0 40 HGAB CCC(=O)N1CCCc2ccc(NS(=O)(=O)c3ccc(OC)cc3OC)cc21 16837564 LDXWOIWIVVVSHW-UHFFFAOYSA-N 404.488 3.194 0 40 HGAB CC(C)N1CCc2c(O)nc([C@@H]3CCCN3C(=O)C3(c4ccccc4)CC3)nc2C1 19448385 POSBZNIBAKXAJO-FQEVSTJZSA-N 406.530 3.344 0 40 HGAB Cc1nn(C(F)F)c(C)c1S(=O)(=O)NCC1(c2ccccc2F)CCOCC1 19577618 INJUWEMUBWSYCV-UHFFFAOYSA-N 417.453 3.061 0 40 HGAB CCc1ccc(NC(=O)[C@H](C)N2CCN(Cc3ccc(OC)c(OC)c3)CC2)cc1 19671285 WNLOIMFPGYHNDM-SFHVURJKSA-N 411.546 3.411 0 40 HGAB CC[C@@H](NC(=O)c1ccc(CS(=O)(=O)N2CCOCC2)cc1)c1ccc(C)cc1 20112592 PUCAHBHWBHDARC-OAQYLSRUSA-N 416.543 3.038 0 40 HGAB COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)COc1ccccc1Cl 20456946 RLAUZUGOQJJFRI-UHFFFAOYSA-N 412.895 3.053 0 40 HGAB CC(C)[C@H](NCC(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccc(C2CCCCC2)cc1 21584308 VYPVGPUBAVECHM-IRLDBZIGSA-N 406.592 3.324 0 40 HGAB CCOc1cc(CNCCc2ccccc2)cc(Br)c1OCC(N)=O 22074287 XBVVOWSNEXKUFF-UHFFFAOYSA-N 407.308 3.044 0 40 HGAB COC(=O)CCCCCNC(=S)N1CCN(Cc2c(F)cccc2Cl)CC1 22089209 KEHGOBNNQKMNSD-UHFFFAOYSA-N 415.962 3.205 0 40 HGAB CCOc1ccc(C(=O)NCCc2ccc(S(=O)(=O)NC(C)C)cc2)cc1C 22227231 TXUIYXNGDKSVST-UHFFFAOYSA-N 404.532 3.053 0 40 HGAB CCOc1ccc([C@H](c2sc3nc(CC)nn3c2O)N2CCN(CC)CC2)cc1 22578139 PZPFXHXHUDXZHY-GOSISDBHSA-N 415.563 3.184 0 40 HGAB COc1ccc(CN(C)S(=O)(=O)c2ccccc2OC(F)(F)F)cc1OC 23395268 XYAMZBJDFISNLG-UHFFFAOYSA-N 405.394 3.423 0 40 HGAB Cc1cc(C)c(CNc2nc(CN3CCOCC3)nc3sc(C)c(C)c23)c(=O)[nH]1 23864545 VVWHQUICOWZWFP-UHFFFAOYSA-N 413.547 3.058 0 40 HGAB O=C(CN1CCN(c2ccccn2)CC1)N1CCC[C@H](c2nc3ccccc3s2)C1 24177619 LAZPOWXGKOCPOC-SFHVURJKSA-N 421.570 3.220 0 40 HGAB CN(C)S(=O)(=O)c1ccc(CCC(=O)Nc2ccc(Br)cc2)cc1 28208347 MWXJROGNZZAVSU-UHFFFAOYSA-N 411.321 3.271 0 40 HGAB CCOC(=O)N1CCN(C(=O)CCc2nc(-c3ccc(C(C)C)cc3)no2)CC1 29646831 QOJXNBOTTBDYRQ-UHFFFAOYSA-N 400.479 3.093 0 40 HGAB Cc1ncc2c(n1)CC[C@H](NC(=O)c1cn(-c3ccccc3)nc1-c1cccnc1)C2 30387558 OTZUHGHJYGOOES-IBGZPJMESA-N 410.481 3.320 0 40 HGAB Cc1c(C(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)cnn1-c1ccc(=O)[nH]n1 32448386 LJSSDTBDMVELJI-OAQYLSRUSA-N 419.872 3.437 0 40 HGAB COCCCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2OC)n2c1nc1ccccc12 32581142 FWCOXKSNZWWYRI-IBGZPJMESA-N 422.485 3.306 0 40 HGAB CCOc1cccc2cc([C@@H](C)NC(=O)c3cccc(S(=O)(=O)NC)c3)oc12 32748293 JJAHVSLBHRGNEJ-CYBMUJFWSA-N 402.472 3.231 0 40 HGAB Cc1nc2ccccc2c(C)c1CC(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21 32820409 JCZDMQDUGCSEFW-UHFFFAOYSA-N 423.538 3.234 0 40 HGAB CC(C)[C@H](NC(=O)Cc1csc(NS(C)(=O)=O)n1)c1ccc(Cl)cc1 32903605 KBGVBSZSATWTMM-HNNXBMFYSA-N 401.941 3.224 0 40 HGAB Cc1c(C(=O)N2CCCN(CC(=O)N3CCCC3)CC2)oc2ccc(Cl)cc12 40072663 CKUCTSYXMWTVQS-UHFFFAOYSA-N 403.910 3.165 0 40 HGAB C[C@@H](Oc1ccc(C(=O)NCc2ccc(N3CCOCC3)nc2)cn1)c1ccccc1 40132331 NHHHMUJBIUYTII-GOSISDBHSA-N 418.497 3.383 0 40 HGAB CC(=O)Nc1cc(-c2ccc(C)cc2)nn(CC(=O)Nc2cccc(C(C)=O)c2)c1=O 46079195 VWFMISDMUKPYTH-UHFFFAOYSA-N 418.453 3.018 0 40 HGAB O=C(NCc1ccnc(OCC(F)(F)F)c1)[C@H]1CCCN1C(=O)C1CCCCC1 48221600 UWRPCVBRXGWTNX-MRXNPFEDSA-N 413.440 3.210 0 40 HGAB Cc1ccc(NC(=O)N2CCC[C@H](NS(C)(=O)=O)C2)c(OCc2ccccc2)c1 48264624 XBNJELVPJHTMMW-SFHVURJKSA-N 417.531 3.120 0 40 HGAB NC(=O)Nc1ccc(Cl)c(NS(=O)(=O)c2ccccc2Br)c1 48325095 NJBCQJDQLYJCKY-UHFFFAOYSA-N 404.673 3.394 0 40 HGAB CCc1ccc(CNC(=O)Cn2ncn3nc(-c4ccc(C)cc4C)cc3c2=O)cc1 51317002 BSDUQENRHZIBJE-UHFFFAOYSA-N 415.497 3.054 0 40 HGAB O=C(CSc1ncc(-c2ccc(F)cc2)[nH]1)NC(=O)Nc1ccc2c(c1)OCO2 53049159 NYHFSNMBDHRPFL-UHFFFAOYSA-N 414.418 3.385 0 40 HGAB COc1ccc(-c2noc(CN3CCN(c4ncnc5sccc45)CC3)n2)cc1 54520095 DVEHIVZCEALWNG-UHFFFAOYSA-N 408.487 3.072 0 40 HGAB Cc1cc(=O)oc2cc(NC(=O)c3ccc(S(=O)(=O)NC(C)(C)C)cc3)ccc12 57688585 HCXGMAUZSRWJCA-UHFFFAOYSA-N 414.483 3.431 0 40 HGAB CCC(CC)[C@H](CNC(=O)NCc1ccc(CN(CC)CC)cc1)N1CCOCC1 58175483 XHQKGUSRVDUFFO-QHCPKHFHSA-N 418.626 3.465 0 40 HGAB CC(C)(C)NS(=O)(=O)c1ccc(N2CCC[C@H]2c2ccc3c(c2)OCCO3)nc1 58177867 KSABPUKQRVTSOO-KRWDZBQOSA-N 417.531 3.271 0 40 HGAB Cc1nn(C)c(C)c1[C@@H](C)NC(=O)N1CCN(C(=O)CCC2CCCCC2)CC1 58183518 FCIJBXKVLLYWTN-MRXNPFEDSA-N 403.571 3.312 0 40 HGAB CCCN1CCc2nc(SCC(=O)Nc3cc(F)ccc3Cl)nc(O)c2C1 67291908 YJBADBANBFIHLA-UHFFFAOYSA-N 410.902 3.474 0 40 HGAB O=C(NCc1cccs1)C(=O)NCC1CCN(c2nc3ccccc3s2)CC1 70899885 DZNAIHUJEXICAH-UHFFFAOYSA-N 414.556 3.007 0 40 HGAB CCCc1noc(-c2ccnc(-n3cnc(C(=O)NCc4cccc(OC)c4)c3)c2)n1 71768438 SQIKTGZHLFUBLI-UHFFFAOYSA-N 418.457 3.208 0 40 HGAB Cc1cc(NC(=O)c2nn(-c3cccc(Br)c3)c3c2CCC3)n(C)n1 72295284 WBEJXZZZQJDUOB-UHFFFAOYSA-N 400.280 3.418 0 40 HGAB COc1ccc(CC(=O)N2CCC[C@H](c3ccnc4nc(C(F)(F)F)nn34)C2)cc1 72334994 HUYDSLOUQZGTDP-AWEZNQCLSA-N 419.407 3.100 0 40 HGAB COC(=O)COc1c(OC)cccc1[C@@H]1CC(O)=Nc2c1cnn2Cc1ccco1 72404136 KALSGMKTLHZEFY-HNNXBMFYSA-N 411.414 3.208 0 40 HGAB Cc1ccc(-c2nc(C(=O)NC[C@H](O)Cn3cnc4cc(C)c(C)cc43)cs2)o1 89656187 KLMSLZRBABMEFM-HNNXBMFYSA-N 410.499 3.469 0 40 HGAB COCc1n[nH]c(-c2cccc(NC(=O)Cn3ccc4c(NC(C)=O)cccc43)c2)n1 96230769 ANJUEJBTWRLLFG-UHFFFAOYSA-N 418.457 3.170 0 40 HGAB O=C(NCCN1C(=O)S/C(=C/c2ccc(Cl)c(Cl)c2)C1=O)c1cnccn1 96593064 CUDFIWPXLPAOFN-RIYZIHGNSA-N 423.281 3.250 0 40 HGAB COc1ccccc1N1CCN(C[C@@H](O)CO[C@@H]2C(C)(C)[C@@H]3CC[C@]2(C)C3)CC1 100831853 LBAQYJOJTNEFOU-JDCWHPJTSA-N 402.579 3.410 0 40 HGAB COc1ccccc1NC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O 101465288 RBMCLHXVZKWHQE-XWCXQPFMSA-N 418.493 3.276 0 40 HGAB Cc1nn(Cc2noc(C(=O)N[C@@H](C)[C@@H]3C[C@@H]4CC[C@@H]3C4)n2)c(C)c1Br 101581598 VSNPFOQHCFICOJ-VKKKGTNTSA-N 422.327 3.248 0 40 HGAB COc1ccc(Cl)cc1N([C@@H](C)C(=O)NCc1ccccc1C)S(C)(=O)=O 113940910 XEHSSAMXDYLDBT-AWEZNQCLSA-N 410.923 3.128 0 40 HGAB CC[C@@H](C(=O)NCCCc1ccc(F)cc1)N(c1ccccc1F)S(C)(=O)=O 220601125 SNACTZXKHBKYOI-SFHVURJKSA-N 410.486 3.258 0 40 HGAB O=C(c1c[nH]c(=O)c(Cl)c1)N1CCC[C@@H](Cc2nc(-c3ccccc3F)no2)C1 220701232 WQQIFKXOJHPFFD-LBPRGKRZSA-N 416.840 3.312 0 40 HGAB COc1ccc(S(=O)(=O)N(C)Cc2cccc(C)c2)cc1C(=O)N1CCCCC1 223872950 RUKAUBSKCUUFLA-UHFFFAOYSA-N 416.543 3.450 0 40 HGAB COc1ccc(S(=O)(=O)Nc2cc(C(=O)NCc3ccco3)ccc2C)cc1 224058767 AFAQZQFONSUDAB-UHFFFAOYSA-N 400.456 3.327 0 40 HGAB Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)N[C@@H](C)c3ccccc3C)s2)c1 224452488 UJQZKWUUYXDOHO-AWEZNQCLSA-N 416.528 3.447 0 40 HGAB Cn1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1CCC(=O)Nc1ccccc1 225532481 YRLAOJWACBZBGW-SFTDATJTSA-N 405.527 3.421 0 40 HGAB Cc1c(Cl)cccc1-n1ccn2c(=O)n(Cc3ccc(Cl)cc3)nc2c1=O 252494741 ODHGDDGMSOLBJS-UHFFFAOYSA-N 401.253 3.310 0 40 HGAB O=C(NCc1ccccc1)c1nnc2n1C[C@@H]1CN(Cc3ccc(Cl)cc3)C[C@H]1C2 306132050 KWOZQSAPOSINPM-MOPGFXCFSA-N 421.932 3.166 0 40 HGAB O=C(c1cccc(-n2cccn2)c1)N1CCC(S(=O)(=O)Cc2ccccc2)CC1 390830032 IHPTVMRIQIMSTF-UHFFFAOYSA-N 409.511 3.092 0 40 HGAB Cc1ccc(CNC(=O)COc2ccc(S(=O)(=O)N3CCCCC3)cc2C)cc1 408561578 JYCNHWQKFUKBSQ-UHFFFAOYSA-N 416.543 3.173 0 40 HGAB COc1ccc(CCC(=O)NCc2ccc(C(=O)N=c3cc[nH]cc3)cc2)cc1F 519067089 FCCPVDSDGMPDOB-UHFFFAOYSA-N 407.445 3.153 0 40 HGAB C[C@@H]1c2nnc(C3CCCC3)n2CCN1CC(=O)Nc1ccc2c(c1)OC(F)(F)O2 561925641 PKVDLXLEHHQABW-GFCCVEGCSA-N 419.432 3.273 0 40 HGAB Cc1cncc(CO[C@@H]2CCOC3(C2)CN(C(=O)c2ccc4c(ccn4C)c2)C3)c1 575404593 NWIXSVYKPAZTTC-OAQYLSRUSA-N 405.498 3.472 0 40 HGAB Cc1cc2c(cc1NC(=O)c1cccc(OC(F)(F)F)c1)N(C)S(=O)(=O)N2C 575613611 VJJFNAJXTVPKBG-UHFFFAOYSA-N 415.393 3.277 0 40 HGAB CN(c1ccc(C(F)(F)F)cn1)C1CN(c2ccc3nnc(C4CCC4)n3n2)C1 1565523294 JWNYHAGKSFTTKL-UHFFFAOYSA-N 403.412 3.131 0 40 HGAB Cn1nnc2cc(CNCc3c(Br)cncc3Br)ccc21 1651104851 CVHNXONFBTWSJB-UHFFFAOYSA-N 411.101 3.178 0 40 HGAB Cc1cc(OC[C@]2(O)CCCN(C(=O)c3cn(C)nc3C)CC2)cc(C)c1Cl 2037912513 NCXXYLXKLHUXBA-NRFANRHFSA-N 405.926 3.435 0 40 HGAB COc1ccccc1C(=O)NN1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O 714099 VZRKDBHUROBSAH-BBITVKMKSA-N 424.456 3.232 0 40 HGAB CCOc1nc(Nc2ccc([C@@H]3Nc4ccccc4O3)cc2)nc(N2CCOCC2)n1 793438 KQVAACBOSXXCHE-LJQANCHMSA-N 420.473 3.354 0 40 HGAB CCCc1cc(=O)oc2cc(O[C@@H](C)C(=O)N[C@@H](Cc3ccccc3)C(=O)O)ccc12 2155786 NKZUWQCOEXYFLA-YWZLYKJASA-N 423.465 3.325 0 40 HGAB biogenic COc1cc(-c2nc3c4cnn(Cc5ccccc5)c4ncn3n2)cc(OC)c1OC 2332945 VKOLOTJEYJHVBF-UHFFFAOYSA-N 416.441 3.215 0 40 HGAB CC[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)c2ccc(OC)cc2OC)C1=O 3522026 OMRHQIJBCLLYJQ-NRFANRHFSA-N 416.861 3.397 0 40 HGAB C[C@@H]1C(=O)O[C@H]2[C@H]1CC[C@@]1(C)Cc3sc(NC(=O)CCC(=O)O)nc3[C@@H](C)[C@H]21 3839897 CPVSQKDGPMORNJ-GIIYFWHKSA-N 406.504 3.200 0 40 HGAB biogenic,in-vitro CCOc1ccc(C(=O)N2CCN(c3ccc(N4CCCCCC4)nn3)CC2)cc1 4583296 BZRMBIVOTPFQRH-UHFFFAOYSA-N 409.534 3.218 0 40 HGAB Cc1cccc(C)c1-n1nnnc1SCC(=O)Nc1ccc2c(c1)OCCCO2 5391679 KJJFBDUHEXAUDM-UHFFFAOYSA-N 411.487 3.171 0 40 HGAB COc1ccc(-c2ccnc(SCC(=O)NCc3ccc(C(=O)O)cc3)n2)cc1 5675971 KWPFHEXNFROAOL-UHFFFAOYSA-N 409.467 3.259 0 40 HGAB CS(=O)(=O)c1[nH]c(-c2ccccc2)nc1S(=O)(=O)c1ccc2ccccc2c1 6908382 LXGRLQZQTCLUSY-UHFFFAOYSA-N 412.492 3.466 0 40 HGAB C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)CSc1nnc(-c2ccccc2F)n1C 6947102 MAILLRAAGHTYHU-WFASDCNBSA-N 405.499 3.118 0 40 HGAB O=C([C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)N1CCN(c2ccccc2F)CC1 7452471 DNEYBSWYQAOWHA-OAHLLOKOSA-N 401.869 3.181 0 40 HGAB CN(Cc1nc(-c2cccc(Br)c2)no1)S(=O)(=O)c1ccccc1 7781573 SLGNRRTUGHDPIE-UHFFFAOYSA-N 408.277 3.320 0 40 HGAB COCCN(Cc1nnc(-c2cccs2)o1)C(=O)C[C@@H]1OC(=O)c2ccccc21 8039207 VWZCNIWBOVRRJJ-HNNXBMFYSA-N 413.455 3.075 0 40 HGAB C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1)C1CC1 8357110 TYTWGTSSSHBCNQ-LLVKDONJSA-N 405.347 3.309 0 40 HGAB COCCOC(=O)C1=C(C)N=C2Nc3ccccc3N2[C@@H]1c1ccc(O)c(OC)c1 8739015 DFNFWTWNLDULMG-HXUWFJFHSA-N 409.442 3.207 0 40 HGAB O=C(Cn1c(Cc2ccccc2)nc2ccccc21)N1CCN(c2ccccn2)CC1 9059618 ZVPOTJTXKWFXCO-UHFFFAOYSA-N 411.509 3.371 0 40 HGAB CC(=O)c1ccc(N2CCN(C(=O)CN(C)Cc3sccc3C)CC2)c(F)c1 10055860 GXBLEYMNLLNNQZ-UHFFFAOYSA-N 403.523 3.179 0 40 HGAB Cc1ccc(-n2c(-c3ccc(Cl)cc3)cn3c4c(=O)[nH]c(=O)n(C)c4nc23)cc1 10104331 MDJCOCSEQCOPEV-UHFFFAOYSA-N 405.845 3.294 0 40 HGAB COc1cc(CN(C)S(=O)(=O)c2c(C)n[nH]c2C)ccc1OCc1ccccc1 10513803 HRNGIUBTSYATST-UHFFFAOYSA-N 415.515 3.435 0 40 HGAB Cc1cccc(-n2ncc3c(=O)n4c(nc32)SC[C@@H]4CC(=O)Nc2nccs2)c1 11613386 PKNOCZSAQXNCCV-ZDUSSCGKSA-N 424.511 3.023 0 40 HGAB COc1ccc(-c2ccc(C)c(NS(=O)(=O)c3ccc(OC)c(F)c3)c2)nn1 11694198 PGMLNQGMJFJCHZ-UHFFFAOYSA-N 403.435 3.409 0 40 HGAB COc1ccc(-c2cc3nc([C@H](C)NC(=O)COc4cccc(F)c4)nn3cn2)cc1 12085181 NLDKXWRDRDFSAP-AWEZNQCLSA-N 421.432 3.195 0 40 HGAB O=C(c1cccc(-n2cnnn2)c1)N1CCC2(CC1)Nc1ccccc1-n1cccc12 12117271 BJRYQOMSFZGJDW-UHFFFAOYSA-N 411.469 3.010 0 40 HGAB NC(=O)c1cc2ccccc2nc1[C@H]1CCCN(C(=O)COc2cccc(F)c2)C1 12255863 KEAXSLHHARLVJZ-INIZCTEOSA-N 407.445 3.258 0 40 HGAB NS(=O)(=O)c1ccc(NC(=O)C2=Cc3cc(Br)ccc3OC=C2)cc1 12274602 MKDDYKYRAALYIE-UHFFFAOYSA-N 421.272 3.025 0 40 HGAB COc1ccc(Nc2nonc2-c2noc(NCc3ccc4c(c3)OCO4)n2)cc1 12370934 POXABGBGFJDSOV-UHFFFAOYSA-N 408.374 3.213 0 40 HGAB Cc1ccc(-c2noc(CN3CCN(C(=O)COc4cccc(C)c4C)CC3)n2)cc1 12757251 RUCLTQJVGNIHKC-UHFFFAOYSA-N 420.513 3.385 0 40 HGAB Cc1noc2nc(C3CC3)cc(C(=O)O[C@@H](C)C(=O)Nc3ccc4c(c3)OCCO4)c12 12794039 CSRLZIUTBAFIMW-LBPRGKRZSA-N 423.425 3.364 0 40 HGAB Cc1ccc(SCCNC(=O)[C@H]2CS[C@H](Cc3ccc(F)cc3)C(=O)N2)cc1 12796432 WAGPNPFTXBGNDC-RTBURBONSA-N 418.559 3.185 0 40 HGAB CC[C@H](Oc1ccccc1)C(=O)N1CCN(CC(=O)Nc2ccccc2Cl)CC1 12920141 NJXHFGOPZZBOBU-FQEVSTJZSA-N 415.921 3.280 0 40 HGAB Cc1cccc(/C=C/C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)c1 12943568 OCGDFOGDLGUFQT-FNORWQNLSA-N 410.948 3.256 0 40 HGAB CC(C)(C)c1ccc(OCCCC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)cc1 12975145 CSQSPAXRGUHWFC-UHFFFAOYSA-N 416.543 3.380 0 40 HGAB COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(CC(=O)N2CCCC2)cc1 13848809 LQKVDLCTMZDUDT-UHFFFAOYSA-N 408.907 3.314 0 40 HGAB O=C(C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)N1CCC[C@H]2CCCC[C@H]21 14014548 LKFZGCUFIVKYIM-OXQOHEQNSA-N 408.539 3.408 0 40 HGAB CCN(CC)C(=O)CN(C)CC(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 14118640 FNNCLNRKLDGOIM-QFIPXVFZSA-N 401.938 3.346 0 40 HGAB Cc1ccc(S(=O)(=O)NCCC(=O)Nc2cc(Cl)c(N)c(Cl)c2)cc1 14180698 ICQJKIOLTJFYQM-UHFFFAOYSA-N 402.303 3.191 0 40 HGAB C/C=C/c1ccc(OC[C@@H](O)CN2C(=O)N[C@@](C)(CCC(C)C)C2=O)c(OC)c1 14249026 TUGCWVHUJPGTSM-OLSDNLPYSA-N 404.507 3.215 0 40 HGAB COc1ccc(C(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)cc1S(=O)(=O)N(C)C 15314362 FAWNQOGZAZMZEJ-XSXQVXRUSA-N 420.575 3.280 0 40 HGAB COc1ccc(Cl)cc1N1C[C@@H](C(=O)Nc2cccc(NC(C)=O)c2)CC1=O 15630850 BLTQEWMXXBRJCY-ZDUSSCGKSA-N 401.850 3.299 0 40 HGAB Cc1ccc(-n2nnnc2-c2cnc(N3[C@@H](C)COC[C@@H]3C)nc2C(F)(F)F)cc1 16311519 ABCKBUWIUXWQCV-STQMWFEESA-N 419.411 3.060 0 40 HGAB COc1cccc([C@@]2(C)NC(=O)N(NC(=S)Nc3ccc(F)c(Cl)c3)C2=O)c1 16379823 WXHKGCVRSUBHJX-GOSISDBHSA-N 422.869 3.156 0 40 HGAB CCCn1c(SCC(=O)Nc2cccc3nsnc23)nnc1-c1ccncc1 19076988 WYSCCZJMBPLDMG-UHFFFAOYSA-N 411.516 3.486 0 40 HGAB COc1ccc(S(=O)(=O)N[C@H](C)Cc2c[nH]c3c(C)cccc23)cc1NC(C)=O 19236646 YYMUKCNONJNLEW-CQSZACIVSA-N 415.515 3.353 0 40 HGAB Cc1cnccc1C(=O)N1Cc2ccccc2OC2(CCC(N3CCOCC3)CC2)C1 19239493 FQQUQZBBWCBWTA-UHFFFAOYSA-N 421.541 3.438 0 40 HGAB CNC(=O)[C@@]1(Cc2ccccc2-c2ccccc2)CCN(C(=O)Cc2ccccn2)C1 19591524 OSEPVPKSVMGOLT-AREMUKBSSA-N 413.521 3.499 0 40 HGAB NC(=O)c1cncnc1CC1CCN(C(=O)[C@H](c2ccccc2)C2CCCC2)CC1 19756749 CIWMCQHACXVJNN-JOCHJYFZSA-N 406.530 3.331 0 40 HGAB COc1ccc(S(=O)(=O)NCCc2csc(-c3ccccn3)n2)cc1Cl 19942400 UXQPRDDZRMQZGH-UHFFFAOYSA-N 409.920 3.388 0 40 HGAB Cc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(=O)Nc1ccc(F)c(F)c1 20021868 SFIREHNLGOYYJV-UHFFFAOYSA-N 410.442 3.075 0 40 HGAB CCN(c1ccc(OCC(=O)N[C@H](C)c2ccc(Cl)cc2)cc1)S(C)(=O)=O 20030512 ZHSKYHVJLPZUBC-CQSZACIVSA-N 410.923 3.382 0 40 HGAB CCN(CC(=O)NCc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1 21130689 LASLTVDIHRJKEJ-UHFFFAOYSA-N 401.315 3.320 0 40 HGAB CC(C)NC(=O)COc1ccc(N(Cc2ccccc2Cl)S(C)(=O)=O)cc1 22232926 PCISTHJQOJKCOS-UHFFFAOYSA-N 410.923 3.210 0 40 HGAB O=C(NC[C@H]1COc2ccccc2O1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 22411212 GQGKMDNXYIOKGT-SFHVURJKSA-N 424.478 3.057 0 40 HGAB COC(=O)C[C@H](NC(=O)COc1ccc(Br)cc1F)c1cccs1 22502303 LGPQUZLGTKYLEJ-LBPRGKRZSA-N 416.268 3.449 0 40 HGAB COc1ccc(CN2CCN([C@H](C)C(=O)N(C)Cc3cccc(F)c3)CC2)cc1F 22787043 RSPKLBBPOPITMN-QGZVFWFLSA-N 417.500 3.138 0 40 HGAB Cc1ccc(NC(=O)[C@@H](C)N2CCN(Cc3ccco3)CC2)c(Br)c1 22930627 URRAWFBIUDGSOV-OAHLLOKOSA-N 406.324 3.495 0 40 HGAB CC1CCN(C(=O)CSc2nnc(N3CCN(c4ccccc4)CC3)s2)CC1 23140086 QPMZCBCVBAKAIK-UHFFFAOYSA-N 417.604 3.215 0 40 HGAB O=c1[nH]c(CN2CCN(c3ccccn3)CC2)nc2sc(-c3ccccc3)cc12 23883120 QJLKECZAQQOXDZ-UHFFFAOYSA-N 403.511 3.369 0 40 HGAB O=C(CN1CCCc2cc(F)c(F)cc21)Nc1ccccc1S(=O)(=O)C(F)F 26344656 MDAKZSGYCUFAPB-UHFFFAOYSA-N 416.396 3.352 0 40 HGAB Cc1cccc2c(=O)n(CCCC(=O)O[C@@H](C)C(=O)NCC3CCCCC3)cnc12 26948118 SGZMOFCWLFFXPW-KRWDZBQOSA-N 413.518 3.113 0 40 HGAB C[C@H](NC(=O)c1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1)c1ccc2c(c1)OCCCO2 32284187 VZHZLHHBFUNQCF-ZACQAIPSSA-N 411.502 3.348 0 40 HGAB O=C(COc1ccc2c(c1)CCC(=O)N2)Nc1cccc(NC(=O)c2cccnc2)c1 32453894 ZYCAEDVVTDGUFQ-UHFFFAOYSA-N 416.437 3.236 0 40 HGAB COc1ccc([C@@H](CNC(=O)c2cc(-c3cccs3)on2)N(C)C)cc1OC 32622647 NHCMPMVUSCTLPV-OAHLLOKOSA-N 401.488 3.453 0 40 HGAB Cc1ccc(NC(=O)c2sc(Cc3ccc(F)cc3)nc2C)cc1S(N)(=O)=O 32703500 IYWOZRRYYOSMDX-UHFFFAOYSA-N 419.503 3.390 0 40 HGAB CCOc1ccc(CN(CC)S(=O)(=O)c2cc(C(=O)OC)ccc2C)cc1OC 32770689 QUWZWSSPZUMLMI-UHFFFAOYSA-N 421.515 3.400 0 40 HGAB Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)N[C@H](C)CCc1ccco1 32841616 AVYZBULDMYYVEI-LLVKDONJSA-N 409.412 3.423 0 40 HGAB Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)OCc2csc(-c3ccco3)n2)cc1 32901114 JKZMHMQZRZMROD-CYBMUJFWSA-N 406.485 3.122 0 40 HGAB O=C(CSc1nnc2c(n1)[nH]c1ccc(F)cc12)N1CCN(c2ccccc2)CC1 35312219 POAVFEYVVXPNBM-UHFFFAOYSA-N 422.489 3.086 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@H](C)c3ccc(F)cc3)C2)cc1 36092698 VXLDKUPTQULLKH-WBVHZDCISA-N 420.506 3.112 0 40 HGAB CCOC(=O)c1cc2cc(NC(=O)c3cccc(S(=O)(=O)NC)c3)ccc2s1 36394108 JUPIXHAWAXUWGX-UHFFFAOYSA-N 418.496 3.238 0 40 HGAB COc1cccc(-c2cc(C(=O)N[C@@H](C)c3cnn(C)c3C)c3c(C)nn(C)c3n2)c1 36616359 QQZDDTGQCCTFBM-ZDUSSCGKSA-N 418.501 3.485 0 40 HGAB O=c1c2nc(N3CCOCC3)sc2c(-c2ccco2)nn1CCc1ccccc1 36685865 CLNUZJPGBOLAIT-UHFFFAOYSA-N 408.483 3.192 0 40 HGAB O=C(c1cc2c(s1)CCC2)N1CCN(Cc2nc(-c3ccsc3)no2)CC1 40071982 XZYPKPZQZJANJT-UHFFFAOYSA-N 400.529 3.306 0 40 HGAB Cc1nc(NC(=O)CCCN2C(=O)c3ccccc3N3C(=O)CC[C@@]23C)sc1C 40073696 QMNPXVAPWBOSBQ-NRFANRHFSA-N 412.515 3.478 0 40 HGAB C[C@]12CCC(=O)N1[C@@H](C(=O)NCCc1ccc(OCc3ccccc3)cc1)CS2 40122125 LDWGHQDDFVINDN-OFNKIYASSA-N 410.539 3.378 0 40 HGAB CNS(=O)(=O)Cc1ccc(CNC(=O)[C@H](C)Oc2ccc(C(C)C)c(C)c2)cc1 40145165 LLIIXUZGEBTMFL-KRWDZBQOSA-N 418.559 3.251 0 40 HGAB O=C(/C=C/c1c(Cl)cccc1Cl)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 40160469 YPFOEOBUVVHETM-AGKLADILSA-N 418.342 3.201 0 40 HGAB Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(Nc4ccccc4)[nH]c(=O)c32)c(F)c1 40399250 YXGBCRNOKYEYMP-ZDUSSCGKSA-N 407.405 3.026 0 40 HGAB Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)N(C)C3CCCC3)Oc3ccccc32)cc1 44902986 OQDZSUUDTGHNRN-OAQYLSRUSA-N 414.527 3.352 0 40 HGAB O=C(NC[C@@H]1CCCO1)Nc1ccc(NC(=O)c2cc(-c3cccnc3)on2)cc1 45079831 IRFFQUCGUAEGHU-KRWDZBQOSA-N 407.430 3.289 0 40 HGAB O=C(CCc1nc(-c2cccnc2)no1)NCc1ccc(N2CCCCCC2)nc1 48263040 JHQVOZBNKYQJQU-UHFFFAOYSA-N 406.490 3.156 0 40 HGAB CC(C)(C)c1nc(CSc2nnc(N3CCOCC3)n2Cc2ccccc2)no1 48325869 STVMSSUHJYLUBK-UHFFFAOYSA-N 414.535 3.136 0 40 HGAB Cc1ccc(C(=O)Nc2ccccc2-c2nnn(CC(=O)NC3CCCCC3)n2)cc1 57613787 NUBBRMAODDBCMZ-UHFFFAOYSA-N 418.501 3.350 0 40 HGAB CCOC(=O)C1CCN(c2nccn3nc(-c4ccc(OC)c(OC)c4)cc23)CC1 67285296 YKAFICCLFVJDSS-UHFFFAOYSA-N 410.474 3.193 0 40 HGAB CCCOc1ccc(S(=O)(=O)NC[C@@](O)(c2ccccc2)C(F)(F)F)cc1 70762811 HFACDRNRMHXKFT-QGZVFWFLSA-N 403.422 3.204 0 40 HGAB CC(C)Cc1nnc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)N2CCCC2)s1 71328926 YIBYQMOASQAPBQ-MRXNPFEDSA-N 401.536 3.092 0 40 HGAB CNC(=O)[C@@]1(Cc2cccc(-c3ccc(C)cc3)c2)CN(C(=O)C2CCC2)CCO1 72389136 LYBOBVMXIFKMFE-RUZDIDTESA-N 406.526 3.348 0 40 HGAB Cc1ccnn1[C@H](C)C(=O)NC1CCN(Cc2cc(-c3ccccc3F)nn2C)CC1 72390501 YGQFGYNPSNYXEM-QGZVFWFLSA-N 424.524 3.073 0 40 HGAB CS(=O)(=O)Cc1ccc(C(=O)Nc2cc(Br)ccc2-n2cccn2)o1 78719768 RYZUQCBOPKJMEJ-UHFFFAOYSA-N 424.276 3.025 0 40 HGAB O=C(c1cccc(CN2CCS(=O)(=O)CC2)c1)N1CCCC2(CCCCCC2)C1 78934399 NOIVKBGFDJZALX-UHFFFAOYSA-N 418.603 3.494 0 40 HGAB COc1ccc(NC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)cc1OC 89464673 IPYYUGBSSBQVKY-UHFFFAOYSA-N 416.455 3.028 0 40 HGAB COc1ccc(-n2ccc(C(=O)N[C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2)cc1 89662264 KWOPBDSHORDZKM-HNNXBMFYSA-N 400.479 3.010 0 40 HGAB C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1CC(=O)NCC1(c2ccccc2)CCC1 89920319 DRKLJUVPZCDKQZ-MOPGFXCFSA-N 415.578 3.460 0 40 HGAB CCCn1c(CN(C)[C@@H](C)c2ccccn2)nc2cc(S(=O)(=O)N(C)C)ccc21 89960699 FZNUQPLTGLHMLO-INIZCTEOSA-N 415.563 3.285 0 40 HGAB CC(C)C[C@@H](Nc1ncnc2c1c(Br)nn2C)C(=O)Nc1nccs1 95455669 RZEBRDGWGFXWGD-SECBINFHSA-N 424.328 3.048 0 40 HGAB CCCCCCNC(=O)[C@@H]1[C@@H]2C=C[C@]3(CN(CCc4c[nH]c5ccccc45)C(=O)[C@@H]13)O2 100785200 VHLZIJNLSWSJQK-IYXIZZNPSA-N 421.541 3.189 0 40 HGAB CCOc1ccc([C@@H]2c3c(-c4ccc(C)cc4)nnc(O)c3Nc3nnnn32)cc1 111999958 UMOBLKLTWFPOSS-LJQANCHMSA-N 401.430 3.238 0 40 HGAB Cc1ccc(CNC(=O)[C@@H](C)N(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1 220192866 DEOVONOXYKGJBP-CQSZACIVSA-N 414.449 3.485 0 40 HGAB CCOc1ccc(NC(=O)[C@@H](C)N(c2cc(C)ccc2OC)S(C)(=O)=O)cc1 220327992 RMZUFCIEKKMRLD-OAHLLOKOSA-N 406.504 3.196 0 40 HGAB COC(=O)c1c(NC(=O)c2cccc(N(C)S(C)(=O)=O)c2)sc2c1CCCC2 222413288 RIICXSYZGCHZHI-UHFFFAOYSA-N 422.528 3.062 0 40 HGAB CC[C@@H]1CCCCN1CCCNS(=O)(=O)c1cc(Br)ccc1OC 222791119 MJRGDLSLAPWOPY-OAHLLOKOSA-N 419.385 3.391 0 40 HGAB CC[C@@H](C(=O)NC)N(Cc1ccccc1)C(=O)CSCc1ccc(OC)cc1 222922447 SJZARQCVBVDYSO-FQEVSTJZSA-N 400.544 3.482 0 40 HGAB Cc1cccc(N(CC(=O)NCCOc2cccc3ccccc23)S(C)(=O)=O)c1 223517523 CWAWXFNACKGJRK-UHFFFAOYSA-N 412.511 3.109 0 40 HGAB O=C(O)c1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCO)o2)cc1 223593495 WIUSCOLMUQPMSH-RTBURBONSA-N 409.467 3.005 0 40 HGAB CCCc1ccc(OCCNC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)cc1 223639118 MNGQINJEQZTZJP-UHFFFAOYSA-N 424.950 3.254 0 40 HGAB COc1ccc(S(=O)(=O)N(C)Cc2ccccc2F)cc1C(=O)N1CCCCC1 223873192 FWBNALIOZCUBAI-UHFFFAOYSA-N 420.506 3.281 0 40 HGAB Cc1ccc(OCCNS(=O)(=O)c2ccc(N3CCCC3=O)c(C)c2)cc1Cl 224159345 SKLVWYMBFXVKOP-UHFFFAOYSA-N 422.934 3.441 0 40 HGAB CCOc1ccc(C(=O)N[C@H](C)CC)cc1CN(C)S(=O)(=O)c1ccccc1 224809193 NXPOTDOXGHPRFS-MRXNPFEDSA-N 404.532 3.434 0 40 HGAB CC(C)(C)C(=O)Nc1nnc(S(=O)(=O)Nc2ccccc2Br)s1 225036575 ULLQXQLHHRRPTC-UHFFFAOYSA-N 419.326 3.086 0 40 HGAB O=C1CCCN1Cc1ccccc1CNC(=S)Nc1cccc(N2CCCC2=O)c1 225653093 UCURYVWRYHJRGO-UHFFFAOYSA-N 422.554 3.422 0 40 HGAB Cc1nc(N(C)S(C)(=O)=O)sc1C(=O)NC(c1ccccc1)c1ccccc1 225883942 OXVMBOBTEPTOQS-UHFFFAOYSA-N 415.540 3.367 0 40 HGAB C[C@@H]1CCCCN1c1cc(N2CCCC2)nc(NC(=S)NCc2cccnc2)n1 225939422 CLWSXEHLQUIIEU-MRXNPFEDSA-N 411.579 3.337 0 40 HGAB CS(=O)(=O)N[C@H](CC(=O)Nc1cccc(Br)c1)c1ccc(F)cc1 225945865 RQVYYVLYPCQGHE-OAHLLOKOSA-N 415.284 3.207 0 40 HGAB CCc1ccccc1N(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@@H]2C1=O)[C@@H]1C[C@H]31)C(=O)C(F)(F)F 226401243 MRYOEHRLOWYCCK-FLMUCADWSA-N 418.415 3.155 0 40 HGAB COc1ccc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc3ccccc3c2)cc1OC 408556139 CIOCKRURRTVLRT-CQSZACIVSA-N 414.483 3.163 0 40 HGAB CC(C)NC(=O)N1CC[C@@](C)(O)[C@@H](NC(=O)c2ccc(F)cc2)[C@@H]1c1ccccc1 514289614 MFTTXNWYZHABPZ-SXWKCWPCSA-N 413.493 3.240 0 40 HGAB biogenic,in-vitro COc1coc(C(=O)N2CCc3[nH]c4c(Br)cccc4c3C2)cc1=O 524731727 ITLJYDHZBLYQQE-UHFFFAOYSA-N 403.232 3.091 0 40 HGAB biogenic CCOc1ccccc1Oc1ccccc1C(=O)N1CCC[C@@H](S(=O)(=O)NC)C1 531130857 UCDMUSYHUAIHNX-MRXNPFEDSA-N 418.515 3.031 0 40 HGAB Nc1c(C(=O)Nc2cccc(NC(=O)c3cccs3)c2)cnn1-c1ccccn1 549137884 BOBMUNTYQHQZQV-UHFFFAOYSA-N 404.455 3.416 0 40 HGAB CC(C)c1ccc(CN2CCC[C@@]3(CCC(=O)N3CCS(C)(=O)=O)CC2)cc1 585100076 FAESMUOLYQFHKT-JOCHJYFZSA-N 406.592 3.202 0 40 HGAB CC(C)(N)C(=O)N1CCC(c2cncc(Nc3ncc(-c4ccccc4)s3)n2)CC1 585262988 GYRLGYUAPSHRGX-UHFFFAOYSA-N 422.558 3.787 0 40 HGAB Cc1cc(OC[C@@]2(CC(=O)N(C)Cc3ccccc3)CNCCO2)ccc1Cl 585271323 FCHHHDQBYKAWPO-JOCHJYFZSA-N 402.922 3.435 0 40 HGAB Cn1ccnc1CN1CC[C@@](C)(O)[C@@H](NC(=O)c2ccc(F)cc2)[C@@H]1c1ccccc1 604383315 VHSFNUUJQGNGIZ-WPFOTENUSA-N 422.504 3.056 0 40 HGAB biogenic,in-vitro CSCC[C@H](CO)NC(=O)Cc1c(C)c2cc3c(C)coc3c(C)c2oc1=O 606440495 XTAYLBPQVXRRQS-CQSZACIVSA-N 403.500 3.237 0 40 HGAB biogenic COCC(=O)N1CCCCCCCNCc2cc(C(=O)NCCC(C)C)ccc21 643584274 KXVZXVJJUSWDFO-UHFFFAOYSA-N 403.567 3.496 0 40 HGAB CN1CCc2[nH]c3ccc(C(=O)N=c4cc(-c5cccc(F)c5F)[nH][nH]4)cc3c2C1 646906387 DOPSTDZDSPPZFY-UHFFFAOYSA-N 407.424 3.498 0 40 HGAB O=C(Cn1ccccc1=O)N1CCC2(CC1)C[C@@H](OCC1CC1)c1ccc(F)cc12 1614930989 DSAQFBGUGDVBNS-OAQYLSRUSA-N 410.489 3.419 0 40 HGAB O=C(NCc1nnc2n1CC[C@H](C(F)(F)F)C2)c1ncoc1-c1ccc(F)cc1 1638219543 OCOVPKPPCRUKJP-NSHDSACASA-N 409.343 3.127 0 40 HGAB Cc1nc(N2CCN(c3ccc(-c4sc(C)nc4C)nn3)CC2)c2ccncc2n1 1888926433 HRSQTKDKISSFPN-UHFFFAOYSA-N 418.530 3.190 0 40 HGAB Cc1cc(C)n(-c2cc(N3CCN(c4cc(C(F)(F)F)ccn4)CC3)nc(C)n2)n1 1889152062 LMGMTJVJBOKCIY-UHFFFAOYSA-N 417.439 3.328 0 40 HGAB CCOc1cc([C@H]2C(C(=O)OCCc3ccccc3)=C(C)Nc3ncnn32)ccc1O 938910 BJSMTCAMDACWON-NRFANRHFSA-N 420.469 3.457 0 40 HGAB CN(C)c1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1 947845 GBESOPUNIGSTJG-UHFFFAOYSA-N 402.501 3.262 0 40 HGAB COc1cc([C@H]2N[C@@H](C(=O)O)Cc3c2[nH]c2ccccc32)cc(Br)c1O 1803639 OQHIGQNYZKAIPR-GDBMZVCRSA-N 417.259 3.333 0 40 HGAB biogenic COc1ccc(C(=O)NCc2cccc(Cl)c2)cc1S(=O)(=O)N1CCCC1 3562413 AAIPRZYYEITBRR-UHFFFAOYSA-N 408.907 3.063 0 40 HGAB COc1cc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nncs2)ccc1O 3655692 GGFNXSNLBFVGLC-MRXNPFEDSA-N 407.407 3.109 0 40 HGAB CCCC(=O)Nc1scc2c(C(=O)OCC)nn(-c3ccc(OC)cc3)c(=O)c12 4121280 JRJDTXVGOGQEOV-UHFFFAOYSA-N 415.471 3.371 0 40 HGAB O=C(Nc1ccc(Cl)cc1)N[C@H]1CO[C@@H]2[C@H](OC(=O)Nc3ccccc3)CO[C@H]12 4222815 MWNRKGXIDHTIEK-BSDSXHPESA-N 417.849 3.245 0 40 HGAB biogenic,in-vitro COc1ccc(N2C[C@H](NC(=O)NCc3ccc4[nH]c(C)cc4c3)CC2=O)cc1OC 4479844 UQLXHPIFOKQCQO-QGZVFWFLSA-N 422.485 3.098 0 40 HGAB COc1cc(OC)c([C@H]2CC(=O)N(c3ccc(F)cc3)C3=C2C(=O)OC3)cc1OC 4519969 VFJBHGXLSNBWKR-OAHLLOKOSA-N 413.401 3.183 0 40 HGAB O=C(O)[C@H]1CCCN1C1(c2nnnn2-c2ccc(Br)cc2)CCCCC1 4604015 GQTLSHDMQBYULM-OAHLLOKOSA-N 420.311 3.133 0 40 HGAB Cc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3n2CCO[C@@H]3c2ccccc2)cc1 5345354 VZVAFCKJERINGU-JOCHJYFZSA-N 401.466 3.134 0 40 HGAB Cc1ccc(NC(=O)COC(=O)CCC(=O)N2CCC(c3ccccc3)=N2)cc1C 5435264 JADUZQGJBVILLE-UHFFFAOYSA-N 407.470 3.202 0 40 HGAB CC(C)(C)C(=O)COC(=O)/C=C/c1ccc(Nc2cccc(S(N)(=O)=O)c2)cc1 5694721 UNQJJDPRJWGRHC-FMIVXFBMSA-N 416.499 3.249 0 40 HGAB C/C(NCc1ccccc1)=C1/C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O 6292630 INCKWWHYGYEPNS-FOWTUZBSSA-N 414.259 3.096 0 40 HGAB O=C(CSc1nnc(-c2ccccc2Cl)n1C1CCCC1)N1CCNC1=O 6583494 DMBPZURVSCRLBW-UHFFFAOYSA-N 405.911 3.358 0 40 HGAB CN(C)C[C@H](NC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12)c1ccccc1 7817189 ITSFHXQIETWVIC-QFIPXVFZSA-N 412.493 3.418 0 40 HGAB O=C(NC1CC1)[C@@H](c1ccccc1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 7916037 OMQTUNIGWLVKEY-LJQANCHMSA-N 404.436 3.242 0 40 HGAB CC1CCN(CC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)CC1 8470844 QXGFVZXDDXQAPS-UHFFFAOYSA-N 413.971 3.185 0 40 HGAB Nn1c(SCc2nnc(-c3ccc(Br)cc3)o2)nnc1C(F)(F)F 8877952 JGTXPRRBCGHMME-UHFFFAOYSA-N 421.202 3.116 0 40 HGAB C[C@@H](Sc1nc(-c2cccs2)n[nH]1)C(=O)c1ccc(NS(C)(=O)=O)cc1 9157176 ZVSLUWFTFAVQRZ-SNVBAGLBSA-N 408.530 3.268 0 40 HGAB C[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)Nc2ccc(OC(F)F)cc2)C1=O 9165823 LGYQCCDTZLRZFU-IBGZPJMESA-N 423.803 3.347 0 40 HGAB COc1ccc(C(=O)CCC(=O)NCC(=O)Nc2c(C)cc(C)cc2C)cc1OC 9364661 VSISUHPYUUEGBN-UHFFFAOYSA-N 412.486 3.347 0 40 HGAB CCn1c(CNC(=O)c2ccco2)nnc1SCC(=O)Nc1ccccc1Cl 10059761 BOAVDASCOAXMSU-UHFFFAOYSA-N 419.894 3.205 0 40 HGAB Cc1ccc(NC(=O)COc2coc(CSc3nncn3C)cc2=O)cc1Cl 10220391 GUUAICOCLGVIOS-UHFFFAOYSA-N 420.878 3.040 0 40 HGAB CCN(CC)CCCN1C(=O)c2oc3cc(OC)ccc3c(=O)c2[C@H]1c1ccncc1 10233227 ZULRCNSMLDJRDU-OAQYLSRUSA-N 421.497 3.474 0 40 HGAB CCOC(=O)c1cccc(NC(=O)CN(c2ccc(Cl)cc2C)S(C)(=O)=O)c1 10441065 WLAKZGAYGFEFPF-UHFFFAOYSA-N 424.906 3.230 0 40 HGAB CC(C)COc1ccc(C(=O)N2CCC(NS(=O)(=O)c3ccccc3)CC2)cc1 11155610 LYYNMUPCVNBKPI-UHFFFAOYSA-N 416.543 3.305 0 40 HGAB CC(=O)Nc1ccc(C(=O)[C@H](C)OC(=O)c2cc(S(C)(=O)=O)ccc2Cl)cc1 11310636 BDDPMKUDRAHWHN-NSHDSACASA-N 423.874 3.130 0 40 HGAB COc1ccccc1NC(=O)N1CCC2(CC1)NC(=O)N(Cc1ccc(C)cc1)C2=O 11694138 VONREJGRICVBRF-UHFFFAOYSA-N 422.485 3.122 0 40 HGAB O=C(Nc1ccccc1N1CCOCC1)C1CCN(C(=O)c2ccc(F)cc2)CC1 12522699 GKGJSYSNYFOAFQ-UHFFFAOYSA-N 411.477 3.153 0 40 HGAB C[C@@H](OC(=O)[C@]12CCC(=O)N1c1ccccc1S2)C(=O)Nc1ccc(F)cc1 12748789 VLSLJXKCSXGJIE-MPBGBICISA-N 400.431 3.325 0 40 HGAB COc1cc(C(=O)N[C@H](C)c2ccc(CC(C)C)cc2)cc(OC)c1OCC(N)=O 12768739 MRLUPFSBYMYMFI-OAHLLOKOSA-N 414.502 3.257 0 40 HGAB CNC(=O)c1ccc(CN(Cc2ccco2)S(=O)(=O)c2ccc(OC)cc2)cc1 12853933 KLPJWWAEJBUHCS-UHFFFAOYSA-N 414.483 3.039 0 40 HGAB O=C(CCN1CCSC1=O)N(Cc1ccccc1)Cc1nc2ccccc2c(=O)[nH]1 12895669 VWGRVWVXIWMVTM-UHFFFAOYSA-N 422.510 3.011 0 40 HGAB O=C(Nc1ccccc1)[C@H]1CSCN1S(=O)(=O)c1ccccc1C(F)(F)F 13008727 LFJGEYNZNNSUTQ-CQSZACIVSA-N 416.446 3.408 0 40 HGAB CC(=O)Nc1ccc(-c2csc(NC(=O)[C@@H]3CS[C@@]4(C)CCC(=O)N34)n2)cc1 13012147 YABXWDYBOZWIQU-KXBFYZLASA-N 416.528 3.161 0 40 HGAB O=C(Cn1cc(C(F)(F)F)ccc1=O)OCc1cc(=O)oc2cc3c(cc12)CCC3 13149584 KKOBBPMAYQOJLP-UHFFFAOYSA-N 419.355 3.206 0 40 HGAB CS(=O)(=O)N(CC(=O)NCCCc1ccccc1)c1cccc(C(F)(F)F)c1 13671160 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COc1ccc(C(=O)N2CCC(c3cc(N(C)C)nc(-c4cnccn4)n3)CC2)cc1 19584730 FNNQGKURHAWIGQ-UHFFFAOYSA-N 418.501 3.028 0 40 HGAB CCn1nc([C@H](C)C(=O)N(C)Cc2nnc(-c3ccccc3)o2)c2ccccc2c1=O 19660556 HKCZTBRNLDJWIM-HNNXBMFYSA-N 417.469 3.229 0 40 HGAB COc1ccc(NC(=O)c2nnn(-c3ccc(OC(F)F)cc3)c2C)c(OC)c1 19911308 FOETYQQSLDNJMQ-UHFFFAOYSA-N 404.373 3.447 0 40 HGAB CCN(c1ccc(OCC(=O)Nc2ccc(F)c(Cl)c2)cc1)S(C)(=O)=O 19937771 JOMKZDXVMXGTNY-UHFFFAOYSA-N 400.859 3.283 0 40 HGAB O=C(Nc1ccc(F)cc1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1 20007809 CEKUBHWLEOZFKG-FQEVSTJZSA-N 416.449 3.493 0 40 HGAB CC[C@H]1CCCCN1CCCNC(=O)c1cc(NS(C)(=O)=O)ccc1Cl 20039262 BDNQPDDFHGLAHJ-HNNXBMFYSA-N 401.960 3.096 0 40 HGAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@@H](C)c2cc(C)c(C)cc2C)cc1C 22539370 OCBZWYQXDSKFFK-ROUUACIJSA-N 418.559 3.473 0 40 HGAB CCc1nc2sc([C@@H](c3cccc(F)c3)N3CCC(C(=O)OC)CC3)c(O)n2n1 22853624 IIHUAEOOGYULKX-MRXNPFEDSA-N 418.494 3.172 0 40 HGAB O=C(CN1CCN(Cc2ccsc2)CC1)Nc1ccc(Br)cc1F 22912541 PIQKERRGZMKMBL-UHFFFAOYSA-N 412.328 3.406 0 40 HGAB COCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(C(C)=O)cc2)n2c1nc1ccccc12 23411170 GCICOTBHNCCQHZ-HXUWFJFHSA-N 420.469 3.192 0 40 HGAB CCOc1ccc(Br)cc1S(=O)(=O)Nc1cc(C(=O)O)ccc1F 24432832 AMNYOMROUYANAM-UHFFFAOYSA-N 418.240 3.486 0 40 HGAB CC(=O)c1ccc(N2CCN([C@@H](C)C(=O)NCCc3ccc(F)cc3)CC2)c(F)c1 24836424 JYKNAGWGPMRIIW-INIZCTEOSA-N 415.484 3.037 0 40 HGAB CCS(=O)(=O)c1ncc(Br)c(C(=O)Nc2ccc(C)c(Cl)c2)n1 27743822 HPJCCOFFFDYRFZ-UHFFFAOYSA-N 418.700 3.247 0 40 HGAB O=C(NCCOc1ccc(F)cc1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 29297086 JFLGYRRAJJRYOE-UHFFFAOYSA-N 414.458 3.435 0 40 HGAB CNC(=O)c1ccc(CN(C)C(=O)[C@H]2CC(=O)N(c3cccc(C(C)C)c3)C2)cc1 31526798 GTFZVNYBRBPESQ-FQEVSTJZSA-N 407.514 3.181 0 40 HGAB O=C1C(=O)N(C2CCCC2)C(=O)N1CC(=O)N1c2ccccc2CCc2ccccc21 31645718 VIXIHIPJMAHBGP-UHFFFAOYSA-N 417.465 3.183 0 40 HGAB Cc1cc(S(=O)(=O)NCc2ccc(-n3cccn3)cc2)ccc1Br 32927454 ZDQFYOBAWBTPIF-UHFFFAOYSA-N 406.305 3.422 0 40 HGAB O=C(COc1ccc(Cl)cc1Cl)N1CC(=O)N2CCc3ccccc3[C@@H]2C1 36108722 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O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)Nc1cc(Cl)ccc1NC1CC1 78968575 CVPFPNIYTQGBCZ-JOCHJYFZSA-N 424.888 3.246 0 40 HGAB Cc1nn(C)c(C)c1[C@H](C)C(=O)N(CC(=O)OC(C)(C)C)c1ccc2c(c1)OCO2 78976114 QDSIEZINUQWNOG-ZDUSSCGKSA-N 415.490 3.244 0 40 HGAB CCOC(=O)c1sc(NC(=O)[C@@H](C)CS(=O)(=O)c2ccc(F)cc2)cc1C 84795621 LFRHQIWDVDCOFK-LBPRGKRZSA-N 413.492 3.421 0 40 HGAB Cc1cc(C)c(C)c(S(=O)(=O)NCCCn2c(=O)c(C)nc3ccccc32)c1C 96003797 AYGLZBSMANULNO-UHFFFAOYSA-N 413.543 3.307 0 40 HGAB CSCC[C@H](NC(=O)c1cc(-c2cccs2)nn1C)c1nnc2ccccn12 96118232 TWTUNESGGIUXPF-ZDUSSCGKSA-N 412.544 3.416 0 40 HGAB C[C@@H](CNC(=O)C1=NO[C@@]2(CCN(C(=O)Nc3ccccc3)C2)C1)c1ccccc1 96225760 HAOZTKDBSILLLB-SBUREZEXSA-N 406.486 3.359 0 40 HGAB Cc1cc(I)ccc1NC(=O)CN(CCO)C1CCCCC1 96979747 NGTJOHBVSUZENR-UHFFFAOYSA-N 416.303 3.165 0 40 HGAB CC/C(N[C@H](C)CCCN(CC)CC)=C1/C(=O)NC(=O)N(Cc2ccccc2)C1=O 100190848 PHBRJYPEXGYUPR-NHKNDPDJSA-N 414.550 3.029 0 40 HGAB O=C1C[C@@H](Nc2ccccc2N2CCOCC2)C(=O)N1c1ccccc1C(F)(F)F 102248205 UBFVPBZZKPJLGP-MRXNPFEDSA-N 419.403 3.286 0 40 HGAB COc1ccc([C@H](O)[C@H](C)NC(=O)[C@H](C)Oc2ccccc2Br)cc1 107540566 RLRZGINTRINDLV-ZJNRKIDTSA-N 408.292 3.463 0 40 HGAB CC(C)Oc1cccc(CNC(=O)[C@@H](C)N(c2ccccc2F)S(C)(=O)=O)c1 113957651 JNTSXXFUNUXHPW-OAHLLOKOSA-N 408.495 3.084 0 40 HGAB O=C(NCc1ccc(F)cc1)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1 113972663 NJPVTFPYEAJPOU-KRWDZBQOSA-N 424.925 3.337 0 40 HGAB CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)COc1ccc(C(C)(C)C)cc1 218930593 UOLXFHIDPXJVSB-UHFFFAOYSA-N 416.543 3.203 0 40 HGAB CC[C@@H](C(=O)NCc1ccccc1Cl)N(c1ccc(OC)cc1)S(C)(=O)=O 220647609 KWQIALNEKCDFII-SFHVURJKSA-N 410.923 3.210 0 40 HGAB CCCSc1nnc(NC(=O)c2ccc(NS(C)(=O)=O)cc2Cl)s1 222989592 KNJPNRWXKJSTIW-UHFFFAOYSA-N 406.942 3.317 0 40 HGAB COc1ccc(S(=O)(=O)N(C)Cc2ccccc2Cl)cc1C(=O)N1CCCC1 223870667 NVWUEMJMBXUEBG-UHFFFAOYSA-N 422.934 3.405 0 40 HGAB C[C@@H](Oc1ccccc1)C(=O)Nc1cnc(N2CCN(c3ccccc3)CC2)nc1 224259077 VTTPAQXENBKRBM-GOSISDBHSA-N 403.486 3.209 0 40 HGAB COC(=O)c1cc(S(=O)(=O)Nc2nnc(SC(C)C)s2)ccc1Cl 224741833 VKVATXMHOWOGOW-UHFFFAOYSA-N 407.926 3.279 0 40 HGAB CCC(=O)N1CCc2cc(S(=O)(=O)NCCSc3ccc(C)cc3)ccc21 224876094 AHQFZBBTXWWUEA-UHFFFAOYSA-N 404.557 3.365 0 40 HGAB CCOC(=O)[C@]1(CN)[C@@H](c2ccc(C)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 242592200 OMBKGVQRHQKMII-NLWGTHIKSA-N 407.919 3.096 0 40 HGAB CCOc1ccc(CN2C[C@@H]3CCC[C@@](O)(c4cnc(OC)nc4OC)[C@H]3C2)cc1 253385441 SPVKGXOCFVAXKB-KPDCDPCYSA-N 413.518 3.012 0 40 HGAB Cc1nc(Nc2ncc(C)s2)cc([C@@H]2CCN(S(=O)(=O)c3ccccc3)C2)n1 257207333 BHHAPOSQLYRPHV-OAHLLOKOSA-N 415.544 3.472 0 40 HGAB O=C1NCCN(C(=O)CCc2ccccc2F)[C@H]1Cc1ccc(-c2cccnc2)cc1 257249372 JHYWEKFIYSLLGF-QHCPKHFHSA-N 417.484 3.390 0 40 HGAB Cc1cc(Nc2ncccc2C)cc([C@H]2CN(CC(=O)N3CCC(C)CC3)CCO2)n1 257317072 VIGDJAYRUBXPBM-JOCHJYFZSA-N 423.561 3.469 0 40 HGAB CN([C@H](C(=O)Nc1ccc(N2CCCCC2)cc1)c1ccccc1)S(C)(=O)=O 260894781 FRGMDDNFHBCDSK-FQEVSTJZSA-N 401.532 3.248 0 40 HGAB Cc1ccc(CN2C[C@@H]3Cc4nnc(C(=O)Nc5cccc(F)c5)n4C[C@H]3C2)s1 306131015 JUUVTNYBSFMMCM-LSDHHAIUSA-N 411.506 3.344 0 40 HGAB C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NCc1ccccc1Cl 408554382 RUFMPNKNZQOPIK-CQSZACIVSA-N 402.903 3.476 0 40 HGAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N(CC)CC)CC2)cc1Cl 408585270 YIOFJJPHAPYAOJ-UHFFFAOYSA-N 402.944 3.008 0 40 HGAB O=S(=O)(NCC[C@@H](CCO)c1cccs1)c1ccc(OC(F)(F)F)cc1 575608874 ZXNLCOHIUMQVRC-LBPRGKRZSA-N 409.451 3.481 0 40 HGAB O=C(Nc1ccccc1)c1nnc2n1CC[C@]1(CC2)CCN(C(=O)c2cccs2)C1 585107560 ZTYAEYBCNKDRQN-QFIPXVFZSA-N 421.526 3.461 0 40 HGAB CN1CCOc2ccccc2CCCCC2(CCN(C(=O)Cn3cccn3)CC2)C1 643573952 SQPCKXOIMZZOPL-UHFFFAOYSA-N 410.562 3.229 0 40 HGAB C[C@@H]1c2cc(Cl)cc(Cl)c2CCN1C(=O)c1cccc(-n2[nH]nnc2=N)c1 1137301697 KUOIHUDCIDLHOG-SNVBAGLBSA-N 403.273 3.141 0 40 HGAB Cc1noc(C)c1CCC(=O)N1CCC(n2nc(-c3ccccc3)ccc2=O)CC1 1775971856 VXXPULGGSSEKBC-UHFFFAOYSA-N 406.486 3.311 0 40 HGAB COC(=O)CCCCCOC(=O)c1ccc(C(=O)OCCCCCC(=O)OC)cc1 2061000930 HJICIKKDEUFMIG-UHFFFAOYSA-N 422.474 3.467 0 40 HGAB O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)[C@H]1COc2ccccc2O1 916395 HKOTYAKEPYZKHN-HXUWFJFHSA-N 410.451 3.266 0 40 HGAB CC(C)OC(=O)[C@@H]1[C@H]2C=C[C@]3(CN([C@@H](C)c4ccc(Br)cc4)C(=O)[C@H]13)O2 2244970 FGILBJXGENIYJK-DGUMQOSSSA-N 420.303 3.244 0 40 HGAB COc1ccc([C@@H]2C[C@H](c3ccccc3)Nc3nc(N4C(=O)CCC4=O)nn32)cc1 2425504 FBYLKHGXVAEKFX-MSOLQXFVSA-N 403.442 3.086 0 40 HGAB O=C(CSc1nnc(-c2ccccc2F)n1C1CC1)NC(=O)Cc1ccccc1 2624645 GEXWAJQMBIPRQO-UHFFFAOYSA-N 410.474 3.397 0 40 HGAB O=C(COC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)c1ccc(Br)cc1 3016655 GQTNTJJOPOKUQC-CQSZACIVSA-N 402.244 3.228 0 40 HGAB COc1ccccc1NC(=O)COC(=O)c1ccc(I)cc1 3244631 MDYUPHDQTQHVJZ-UHFFFAOYSA-N 411.195 3.095 0 40 HGAB O=C(COC(=O)COc1cccc(Br)c1)Nc1ccc(F)c(F)c1F 3315661 FUPOEVPSEPDKEO-UHFFFAOYSA-N 418.165 3.427 0 40 HGAB CCOC(=O)c1c(NC(=O)CN(C)CC(=O)Nc2cccc(F)c2)sc(C)c1C 3541820 CGYLXRQSPUDQEE-UHFFFAOYSA-N 421.494 3.190 0 40 HGAB CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2sccc2C(N)=O)cc1 4275775 BCHKYNDIEQITHI-CQSZACIVSA-N 421.544 3.053 0 40 HGAB COc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2OC)cc1 4393909 HVDBWVFUGAJMLV-UHFFFAOYSA-N 404.488 3.131 0 40 HGAB Cc1cc(OCC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)ccc1Cl 4846682 VEEDHTPFDIHTRA-UHFFFAOYSA-N 408.907 3.450 0 40 HGAB C[C@@]12CC[C@]3(C)OCC(COC(=O)[C@@](O)(c4ccccc4)C4CCCCC4)(CO1)N23 5385216 XZQPPAAMBUJAJS-WPFOTENUSA-N 415.530 3.325 0 40 HGAB CCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)O 5706798 JSYRZPPVWOULMZ-WOJBJXKFSA-N 412.486 3.284 0 40 HGAB Cc1sc(C(=O)Nc2ccc(Br)cc2)cc1S(=O)(=O)N(C)C 6679510 OFCOPRDBCFEYBA-UHFFFAOYSA-N 403.323 3.322 0 40 HGAB O=C(COc1ccc(S(=O)(=O)NC2CCCCC2)cc1)Nc1ccccc1F 6889541 HPRYADBMXKCXTP-UHFFFAOYSA-N 406.479 3.454 0 40 HGAB CCOC(=O)c1ccccc1NC(=O)COC(=O)CCOc1ccc(OCC)cc1 7986753 XNOBIRCNLCFPQX-UHFFFAOYSA-N 415.442 3.213 0 40 HGAB COCCNC(=O)c1nc(-c2cccc(C)c2)n(-c2ccc(Br)cc2)n1 8476412 AHPQPSLBSMLDPU-UHFFFAOYSA-N 415.291 3.381 0 40 HGAB O=C1C[S@@](=O)[C@H](c2ccc(Cl)cc2)C(=O)N1c1ccc(Br)cc1 8733525 VTMXCIQKXXSKDD-CMJOXMDJSA-N 412.692 3.466 0 40 HGAB C[C@@H]1Sc2ccc(C(=O)N3CCC(C(=O)N4CCCCCC4)CC3)cc2NC1=O 8774318 GBQADJVOZUENQE-HNNXBMFYSA-N 415.559 3.374 0 40 HGAB Cc1nc2cc(NC(=O)CN3C(=O)N[C@@](C)(CCc4ccccc4)C3=O)ccc2o1 8883223 VBWGYFOVFPOYPV-QFIPXVFZSA-N 406.442 3.018 0 40 HGAB CSc1nc(N2CCCCC2)c2cnn(CCNC(=O)c3ccc(F)cc3)c2n1 8945750 XUMXWZSSDWZLQM-UHFFFAOYSA-N 414.510 3.108 0 40 HGAB O=C1C[C@@H](CNS(=O)(=O)c2ccc3c(c2)CCCC3)CN1c1ccc(F)cc1 9036560 HRYKBFGZTSKMHO-HNNXBMFYSA-N 402.491 3.036 0 40 HGAB O=C(CSc1ccc2nnc(-c3ccccc3)n2n1)Nc1ccc2c(c1)OCCO2 9414809 GFVIBNPIJMDJJL-UHFFFAOYSA-N 419.466 3.293 0 40 HGAB O=C(C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)N1CCC[C@H](C(F)(F)F)C1 10286217 DCLBNPHYTPHRQW-AWEZNQCLSA-N 422.444 3.027 0 40 HGAB C[C@@H]1CS(=O)(=O)N(c2ccc(C(=O)Nc3ccc(C(F)(F)F)cc3)cc2)C1=O 12005966 WPPSFZXVVURAGD-LLVKDONJSA-N 412.389 3.270 0 40 HGAB COc1ccc(-c2nsc(NC(=O)c3cc(OC)c(OC)c(OC)c3)n2)cc1 12063005 MXJXGNOEPZSTPG-UHFFFAOYSA-N 401.444 3.492 0 40 HGAB Cc1cc(-c2cncnc2C2CCN(C(=O)c3ccc4c(c3)OCCO4)CC2)on1 12118310 TVMSHCNKWUGFSZ-UHFFFAOYSA-N 406.442 3.231 0 40 HGAB CO[C@H]1CCC[C@@H](C(=O)N2CCC(n3nc(-c4cccs4)ccc3=O)CC2)C1 12129340 QDUXROIHHVYKRZ-WBVHZDCISA-N 401.532 3.341 0 40 HGAB COc1cc2oc(=O)cc(C)c2cc1CCC(=O)Nc1ccc(Cn2cncn2)cc1 12391789 SOVFSFCQQMFBJM-UHFFFAOYSA-N 418.453 3.321 0 40 HGAB biogenic COc1cc(Br)cc(/C=C2\NC(=O)N(Cc3ccccc3F)C2=O)c1O 12469527 ZOCTVDRLCPHBBV-AUWJEWJLSA-N 421.222 3.395 0 40 HGAB COc1ccc(C(=O)C2CCN(C(=O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)CC2)cc1 12740122 GMCCLPUDGUWVMI-OAQYLSRUSA-N 420.509 3.165 0 40 HGAB O=c1[nH]c2ccc(S(=O)(=O)N3CCc4sccc4[C@@H]3c3ccccc3)cc2[nH]1 12770576 NOAZPWXUSSOHIW-IBGZPJMESA-N 411.508 3.254 0 40 HGAB CC(=O)Nc1ccc(-c2csc(NC(=O)[C@@H]3Cc4ccccc4C(=O)O3)n2)cc1 12862838 BNOJWJXPVBHFRI-SFHVURJKSA-N 407.451 3.489 0 40 HGAB O=C(O)CCc1ccc(S(=O)(=O)NCCc2nc3cc(Cl)ccc3s2)cc1 12864009 XXEYHKDORRRKQS-UHFFFAOYSA-N 424.931 3.488 0 40 HGAB COc1ccc([C@H](C)NC(=O)C2CCN(C(=O)OCC(F)(F)F)CC2)cc1F 12880829 QDBXZKIUVXSMPD-NSHDSACASA-N 406.376 3.422 0 40 HGAB C[C@H](Oc1ccc(Br)cc1)C(=O)N(C)Cc1nc2ccccc2c(=O)[nH]1 12972152 RZBOWZVJGOKFCO-LBPRGKRZSA-N 416.275 3.112 0 40 HGAB Cc1[nH]n(-c2nc3ccccc3s2)c(=O)c1[C@@H]1CC(=O)N(c2ccccc2)C1=O 13626302 JXUYGVUCRYINGY-AWEZNQCLSA-N 404.451 3.131 0 40 HGAB Cc1ccc([C@H](CNC(=O)c2cc(=O)c3ccc(Br)cc3o2)N(C)C)o1 15860375 VZVNMSOXKIIVMW-AWEZNQCLSA-N 419.275 3.490 0 40 HGAB O=C(Nc1ccc(Cl)c(N2CCCS2(=O)=O)c1)c1cc2ccccc2oc1=O 17201117 IEJLOWJIFAZWKV-UHFFFAOYSA-N 418.858 3.239 0 40 HGAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)Cc1csc(-c2ccccn2)n1 17343003 QVUXQICIAFYIPO-UHFFFAOYSA-N 413.455 3.190 0 40 HGAB COc1ccc(C(=O)N[C@@H](Cc2cc(=O)[nH]c(C3CCC3)n2)c2ccc(F)cc2)cn1 19561886 VJKRFWVXUGVESH-IBGZPJMESA-N 422.460 3.294 0 40 HGAB O=C1COc2cc(NC(=O)c3cc4nccc(-c5ccc(F)cc5)n4n3)ccc2N1 19664199 QLAMOUOZAREGIO-UHFFFAOYSA-N 403.373 3.119 0 40 HGAB COC(=O)c1ccccc1NC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1 20836730 CLMITIMIJRUUBC-UHFFFAOYSA-N 416.499 3.290 0 40 HGAB Cc1ccc(S(=O)(=O)N(CC(N)=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 22278130 CNHJQCGDGMUQAM-UHFFFAOYSA-N 406.813 3.348 0 40 HGAB Cc1ccc(OC[C@H](C)NC(=O)CN(c2ccccc2C(C)C)S(C)(=O)=O)cc1 22425803 RBZFHMXSKQJMOC-SFHVURJKSA-N 418.559 3.468 0 40 HGAB Cc1cc(-n2c(C)cc(C(=O)COC(=O)c3cnc4c(c3)c(C)nn4C)c2C)no1 24197642 GMNSBPDCDPZHME-UHFFFAOYSA-N 407.430 3.020 0 40 HGAB COC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2cccc(CN3CCCC3)c2)c1 26842690 DJPMACLZUPRZGW-UHFFFAOYSA-N 422.934 3.201 0 40 HGAB COc1cc(I)c(Cl)cc1C(=O)NCc1ccccn1 28844369 NSYALOZMWOXPJN-UHFFFAOYSA-N 402.619 3.278 0 40 HGAB O=C(N[C@H](CN1CCOCC1)c1ccccc1)c1cc(Cl)c2c(c1)OCCCO2 30540189 ONFRTDYNEZUUDJ-LJQANCHMSA-N 416.905 3.305 0 40 HGAB CC(C)[C@H](NC(=O)c1ccccc1)C(=O)N[C@H](c1ccc(F)cc1)c1nccn1C 32493671 GUYQDEAIQQUJPH-VQTJNVASSA-N 408.477 3.219 0 40 HGAB CN(CCCNC(=O)C[C@H](NC(N)=O)c1ccc(Cl)cc1)Cc1ccccc1 32765973 DCROPYHRIPZRNY-IBGZPJMESA-N 402.926 3.078 0 40 HGAB CCN(CC)C(=O)CCCNC(=O)c1cnn(-c2ccc(Br)cc2)c1C 32931057 PJHPJUXEDMRBGS-UHFFFAOYSA-N 421.339 3.322 0 40 HGAB COC(=O)c1ccc(CN2C(=O)S/C(=C/c3cc4c(cc3OC)OCO4)C2=O)o1 34895924 CUGJJXZLFJOXLQ-OMCISZLKSA-N 417.395 3.040 0 40 HGAB Cc1cc(C(=O)N[C@H](C)Cn2ccc(C)n2)c2c(C)nn(Cc3ccccc3)c2n1 36616885 YNSHOSDEOSJMTI-QGZVFWFLSA-N 402.502 3.420 0 40 HGAB O=C(Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)CCC2)c1cnccn1 38693392 LJRPXRZGLIBCLZ-UHFFFAOYSA-N 412.446 3.010 0 40 HGAB C[C@H](NCC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1)c1ccc2c(c1)CCCC2 39738439 GCSGCLAYXMKOJF-HTAPYJJXSA-N 418.603 3.174 0 40 HGAB CCc1ccccc1N1C[C@@H](C(=O)NCc2ccccc2Cn2ccnc2)CC1=O 40023573 QSYNQPIPKOXPKZ-NRFANRHFSA-N 402.498 3.163 0 40 HGAB CC1(C)NC(=O)N(CCCSc2nnc(COc3ccc(Cl)cc3)o2)C1=O 40089651 CYQNOAWYRHCJOP-UHFFFAOYSA-N 410.883 3.115 0 40 HGAB COc1ccc(OC)c(-c2csc(NC(=O)[C@@H]3CCCN(C(=O)N(C)C)C3)n2)c1 40129424 ZODJRRYYAKODAC-CYBMUJFWSA-N 418.519 3.159 0 40 HGAB CCCS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(OC)c(OC3CCCC3)c2)C1 40132911 SXNCTTXUXULPKH-INIZCTEOSA-N 424.563 3.407 0 40 HGAB CCCSc1nn(CCN(C)C)c2nc3sc4c(c3c(=O)n12)CCCCC4 40286625 DQEXACOYPKJXND-UHFFFAOYSA-N 405.593 3.438 0 40 HGAB O=C(CCn1ccc(=O)[nH]c1=O)Nc1cccc(-c2csc(-c3ccccc3)n2)c1 44226294 ZKSSQWCQPMOJEE-UHFFFAOYSA-N 418.478 3.356 0 40 HGAB CCOc1ccc(C(=O)N(C)CC(=O)Nc2ccc(Br)cc2C)cn1 44820567 MQGGGXFVZIZHOH-UHFFFAOYSA-N 406.280 3.262 0 40 HGAB COC(=O)c1ccc(CS(=O)(=O)NCc2ccc(CN3CCCCC3)cc2)cc1 44875155 DWWYBZKHJGKPDL-UHFFFAOYSA-N 416.543 3.079 0 40 HGAB CCCc1noc(-c2cc(S(=O)(=O)NCc3ccccc3OC)ccc2OC)n1 46020234 AQRBQOMYGZJIGR-UHFFFAOYSA-N 417.487 3.185 0 40 HGAB O=C(c1cc(-c2cccc3ccccc23)[nH]n1)N1CCN(C(=O)c2ccco2)CC1 51315828 AGYFWDMUDGNDAN-UHFFFAOYSA-N 400.438 3.421 0 40 HGAB COc1ccccc1Cn1c(SCC(=O)NC(C)C)nc2ccsc2c1=O 57425653 VWXIVJHNJUIJIN-UHFFFAOYSA-N 403.529 3.132 0 40 HGAB CCCN1CCCC[C@H]1C(=O)Nc1ccc(OCC)c(S(=O)(=O)N2CCCC2)c1 58062866 LJRWWZRLFBJOTH-SFHVURJKSA-N 423.579 3.073 0 40 HGAB COc1cc(F)ccc1-c1ccc(=O)n(CC(=O)Nc2nc(C(C)(C)C)cs2)n1 61718757 IMBQOXKCMHNXGD-UHFFFAOYSA-N 416.478 3.451 0 40 HGAB COC(=O)[C@H](C)OC(=O)c1c[nH]c2cc(Br)c(Br)cc12 65491129 QPSCNXKMHZGKDQ-LURJTMIESA-N 405.042 3.411 0 40 HGAB O=C(c1ccc(F)cc1F)N1CCC(C(=O)N2CCC(N3CCCCC3)CC2)CC1 70040158 VECNTDDBKRFCFB-UHFFFAOYSA-N 419.516 3.294 0 40 HGAB COCc1nnc(NC(=O)c2cn(-c3ccccc3OC)c(=O)c3ccccc23)s1 71285118 FZEAUISYZDUKEF-UHFFFAOYSA-N 422.466 3.250 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2cnc(N3CCOCC3)c(C)c2)cc1 72219349 WEPMQULHONIFTP-HXUWFJFHSA-N 401.532 3.061 0 40 HGAB CN(CC(=O)Nc1ccc([C@@H]2NC(=O)c3cccnc3N2C)cc1)C1CCCCC1 72341153 GXYGFJRARHELPU-OAQYLSRUSA-N 407.518 3.163 0 40 HGAB CCC(CC)C(=O)N1CCO[C@](Cc2cccc(-c3ccncc3)c2)(C(=O)N(C)C)C1 72389073 KYUDWBSVHOVFMQ-VWLOTQADSA-N 423.557 3.413 0 40 HGAB COc1ccc2[nH]c3c(c2c1)CN(C(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccccc1)CC3 79188459 XJTOINYROIXGNC-WZONZLPQSA-N 403.482 3.281 0 40 HGAB biogenic CCN(C(=O)c1cnc(N2CC(C)(C)NC2=O)nc1N)c1cccc(C(F)(F)F)c1 84758648 ZAVGHCJPBOQKEE-UHFFFAOYSA-N 422.411 3.053 0 40 HGAB in-man O=S(=O)(NC[C@@](O)(c1cccs1)C1CC1)c1ccccc1Br 90584391 TWYMXIAMWAJURF-HNNXBMFYSA-N 402.335 3.087 0 40 HGAB O=C(C[C@H](Cn1cnnn1)c1ccc(Cl)cc1)N1CCO[C@@H](c2ccccc2)C1 95472107 ZJUWZJFCRQSSEA-UYAOXDASSA-N 411.893 3.101 0 40 HGAB O=C(N[C@@H]1CCCc2cn(CC(F)(F)F)nc21)c1ccccc1N1CCOCC1 96002992 QDWMUDUHLUUEST-MRXNPFEDSA-N 408.424 3.089 0 40 HGAB COc1ccc([C@@H]2SCC(=O)Nc3c2c(O)nn3[C@@H]2CCOC(C)(C)C2)cc1O 96232201 CLHUUXOTLYYHHH-PXAZEXFGSA-N 419.503 3.208 0 40 HGAB Cc1cccc(C)c1N(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@@H]2C1=O)C(=O)C(F)(F)F 100396372 NAYGKMWJHAHOFD-NEMWNAMBSA-N 418.415 3.209 0 40 HGAB O=C(CCN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O)Nc1ncc(Cc2ccccc2)s1 100774941 SKDHZAYQFFINGS-LNMJFAINSA-N 409.511 3.094 0 40 HGAB COc1ccc(Cl)cc1N([C@H](C)C(=O)Nc1ccc(F)c(F)c1)S(C)(=O)=O 113940193 MDBVKVSFGLBTLW-SNVBAGLBSA-N 418.849 3.420 0 40 HGAB CCOc1cc(Br)cc(/C=c2\sc3nc4ccccc4n3c2=O)c1O 164567489 AJSOAAMPBVDMEO-NVNXTCNLSA-N 417.284 3.324 0 40 HGAB O=C(COC(=O)c1cccc(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)c1)Nc1ccccc1 165643075 IGTXRQHYQXMPTA-LATRNWQMSA-N 418.449 3.018 0 40 HGAB COc1ccc(-c2noc(CN(C)C(=O)CCc3ccc(OC)c(OC)c3)n2)cc1 219283074 ASFSVMOLBVFTAA-UHFFFAOYSA-N 411.458 3.354 0 40 HGAB CCSc1nnc(NC(=O)CCCN(c2ccccc2C)S(C)(=O)=O)s1 223015043 MLKPAPRYLUVTJN-UHFFFAOYSA-N 414.578 3.143 0 40 HGAB COC(=O)CSc1nnc(NC(=O)c2cc(Br)ccc2Cl)s1 225076311 DBAPPCFKZAPCGT-UHFFFAOYSA-N 422.713 3.471 0 40 HGAB Cc1ccc(CN(CC(=O)Nc2ccccc2C(F)(F)F)S(C)(=O)=O)cc1 225294304 VKAFJXUCVFYFJI-UHFFFAOYSA-N 400.422 3.414 0 40 HGAB CCn1c(=O)sc2cc(S(=O)(=O)NCCCc3cccc(OC)c3)ccc21 225695990 HGWYTMVLMHVXJR-UHFFFAOYSA-N 406.529 3.003 0 40 HGAB COc1ccc([C@H]2CN(C(=O)C(C)(C)NC(=O)CCc3ccccc3)CCN2C)cc1 257208846 BNUKHUMHRBEGEY-JOCHJYFZSA-N 423.557 3.038 0 40 HGAB CC(C)(C)C(=O)N1[C@H]2c3ccc4c(c3[C@H]1[C@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12)OCO4 261828351 KOVBLSKSOKLBAW-VJANTYMQSA-N 418.449 3.205 0 40 HGAB Cc1cc(C(=O)N2CCO[C@@H](c3nnn4cc(-c5ccncc5)ccc34)C2)c(C)o1 306133754 MVAKZVOGLFWZJT-HXUWFJFHSA-N 403.442 3.215 0 40 HGAB Cc1ccc(N([C@H](C)C(=O)NCCSCc2ccccc2)S(C)(=O)=O)cc1 408543417 DHASPKQHRIYAKJ-QGZVFWFLSA-N 406.573 3.199 0 40 HGAB CCCCNS(=O)(=O)c1ccc(OCC(=O)NC2CCCCC2)c(Cl)c1 408618921 GPHJUTJRVDCJNP-UHFFFAOYSA-N 402.944 3.246 0 40 HGAB CC(=O)c1ccc(NC(=O)COC(=O)CCCC(=O)Nc2cccc(C(C)=O)c2)cc1 408662485 IYWHWWQVYUAIJN-UHFFFAOYSA-N 424.453 3.383 0 40 HGAB Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3ccccc3Br)C2=O)c1 409108606 XBKIYTNUBJOUSD-MHWRWJLKSA-N 414.259 3.289 0 40 HGAB Cc1cccc(COCC[C@H]2CO[C@H]3CN(C(=O)c4ccc5c(c4)COC5)C[C@@H]23)n1 575404129 LRFZIBCJXWPKDY-VJBMBRPKSA-N 408.498 3.114 0 40 HGAB COc1ccc([C@H]2C3=C(CN(C(C)=O)C3=O)Nc3cccc4c3c2cn4C)cc1O 604405037 UQIQPBYGDIYPCY-HXUWFJFHSA-N 403.438 3.093 0 40 HGAB biogenic COc1ccc([C@H](CC(=O)NCCc2ccc(O)cc2)c2oc(C)cc(=O)c2O)cc1 1547139025 YUQQEBCGFAADBX-FQEVSTJZSA-N 423.465 3.249 0 40 HGAB biogenic CCOC(=O)/C(=C/Nc1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(OC)cc1 1775970646 ANOCKQNOVYEQON-UYRXBGFRSA-N 421.471 3.003 0 40 HGAB CCc1ccccc1NC(=O)CN(c1ccccc1Br)S(C)(=O)=O 857900 CVCAMOZMIRWWCW-UHFFFAOYSA-N 411.321 3.416 0 40 HGAB CC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1 900856 AFNKMYTYFUQRTQ-ZDUSSCGKSA-N 400.456 3.122 0 40 HGAB COC(=O)c1sc(SC)c(S(=O)(=O)C(C)C)c1I 1037677 JJVTWHIJTPKSOT-UHFFFAOYSA-N 420.315 3.043 0 40 HGAB COc1ccc(-c2nc3s/c(=C\C4=Cc5ccccc5O[C@H]4C)c(=O)n3n2)cc1 2700948 PCERYEQJVYOBBK-QXGSTRBFSA-N 403.463 3.191 0 40 HGAB CCCSc1nnc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)s1 4086666 AGWDZNGIHFAGLE-UHFFFAOYSA-N 412.562 3.077 0 40 HGAB CCCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccccc3)cc2)CC1 4109445 UEMVJHRFLOBHSY-UHFFFAOYSA-N 410.543 3.262 0 40 HGAB Cn1ncc2c(NCc3ccccc3)nc(N3CCN(c4ccc(F)cc4)CC3)nc21 4272767 FDTSQISSQDVCRA-UHFFFAOYSA-N 417.492 3.441 0 40 HGAB CCOc1ccc(N2C[C@H](NC(=O)NCCc3c[nH]c4ccccc34)CC2=O)cc1 4373718 KGRWVWHXUHDPTG-QGZVFWFLSA-N 406.486 3.214 0 40 HGAB COc1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@H]2c2cccc(F)c2)c(OC)c1 4383859 LDLDGBVDPDCDKF-IBGZPJMESA-N 409.421 3.362 0 40 HGAB C[C@H]1CCCN(S(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)C1 4742366 SQOXHROIDXXLHS-AWEZNQCLSA-N 412.508 3.047 0 40 HGAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 6267034 JHWAEQSWDVMBSW-SNVBAGLBSA-N 403.287 3.308 0 40 HGAB C[C@@]1(c2ccc3c(c2)OCCCO3)NC(=O)N(Cc2nc3ccccc3s2)C1=O 6589930 YORNSNKOXXWBPI-NRFANRHFSA-N 409.467 3.425 0 40 HGAB COc1cccc(N2CCN(C(=O)CSc3ncnc4sccc34)CC2)c1 6650228 RTYFPNRAEXOEJK-UHFFFAOYSA-N 400.529 3.141 0 40 HGAB Cc1ccc(C(=O)CCC(=O)OCC(=O)c2cc3c4c(c2)CC(=O)N4CCC3)s1 6852725 SBFRBJXVDOLXNG-UHFFFAOYSA-N 411.479 3.281 0 40 HGAB COc1ccc(CCNCc2ccc(OCC(=O)NC(C)(C)C)cc2)cc1OC 6882421 UHFSQRPGSMCAOE-UHFFFAOYSA-N 400.519 3.330 0 40 HGAB COc1cc(CNCCCSc2nnnn2C)ccc1OCCc1ccccc1 7540519 AKMBUEHVVNNWKU-UHFFFAOYSA-N 413.547 3.112 0 40 HGAB Cn1cccc1[C@H]1CCCN1CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1 7854848 GKDDWKHOCGDESI-GOSISDBHSA-N 418.423 3.400 0 40 HGAB O=C(COc1ccc(Cl)cc1Cl)NCCn1nc(-c2cccs2)ccc1=O 8954790 MHHLUUPXTGUZHH-UHFFFAOYSA-N 424.309 3.474 0 40 HGAB CCn1c(C)cc(O)c(C(c2ccccc2F)c2c(O)cc(C)n(CC)c2=O)c1=O 9184392 ODASLTRVPDFFIV-UHFFFAOYSA-N 412.461 3.397 0 40 HGAB CCn1c(SCC(=O)NC[C@@H]2CCCO2)nnc1-c1ccc2c(c1)CCCC2 9193324 CBQZJJNDBKMMEH-SFHVURJKSA-N 400.548 3.231 0 40 HGAB CNC(=O)c1c(NC(=O)c2nn(-c3cccc(C)c3)ccc2=O)sc2c1CCCC2 9206044 BELVURMVKFQRQP-UHFFFAOYSA-N 422.510 3.093 0 40 HGAB CC(=O)N[C@]1(CC(=O)Nc2c(Cl)cccc2Cl)C(=O)N(C)c2ccccc21 9302782 MCQXJHQHQXHFML-IBGZPJMESA-N 406.269 3.330 0 40 HGAB CCOC(=O)c1c(C)n(C)c2ccc(OC)c(NC(=O)CCc3cc(OC)no3)c12 9420382 RSQOWSGRFLJINY-UHFFFAOYSA-N 415.446 3.240 0 40 HGAB COC(=O)c1ccc2c(=O)[nH]c(CSc3nnc(C)n3-c3ccc(C)cc3)nc2c1 9469742 HTPGNIDQIIVGHC-UHFFFAOYSA-N 421.482 3.200 0 40 HGAB CC(C)S(=O)(=O)c1cccc(C(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C)C3)c1 9621474 BIZSNYOHKDORHW-GFCCVEGCSA-N 420.556 3.406 0 40 HGAB CCCCNC(=O)c1ccccc1NC(=O)c1ccc(N(CC)S(C)(=O)=O)cc1 10008619 JRNIZHRMNIKDKC-UHFFFAOYSA-N 417.531 3.255 0 40 HGAB COc1ccc(S(=O)(=O)CC(=O)Nc2nc(-c3ccc(F)cc3)cs2)cc1 10219302 XTCHCMQZHQSCOF-UHFFFAOYSA-N 406.460 3.370 0 40 HGAB COC(=O)c1ccc(NC(=O)[C@@H](C)N(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1 10323911 WDOFEZIIRBYVTE-CYBMUJFWSA-N 424.906 3.228 0 40 HGAB COc1ccc(NC(=O)[C@H](C)N(c2ccc(OC)c(Cl)c2)S(C)(=O)=O)cc1 10371721 OFJAFHDJIPOHCG-LBPRGKRZSA-N 412.895 3.150 0 40 HGAB CCn1c(=O)n(CC)c2cc(NC(=O)CSc3nc(-c4ccccc4)n[nH]3)ccc21 10672173 GKWFUFZWIYXWLS-UHFFFAOYSA-N 422.514 3.359 0 40 HGAB C[C@@H]1C[C@@H](C)CN(c2nnc(SCC(=O)NC(C)(C)C)n2Cc2ccco2)C1 11426775 QGXBGLMZZKSMFO-HUUCEWRRSA-N 405.568 3.409 0 40 HGAB CC(C)n1c(=O)oc2cc(S(=O)(=O)N3CCCCC[C@H]3c3ccn(C)n3)ccc21 12159584 SIKHARMFPHYEKX-KRWDZBQOSA-N 418.519 3.215 0 40 HGAB CCS(=O)(=O)N1CCC[C@@H]1Cn1c(C(F)(F)F)cc(=O)c2cc(C)ccc21 12222220 XJMWJARCVMAJHD-CYBMUJFWSA-N 402.438 3.143 0 40 HGAB COc1ccc([C@@H]2CCCN2C(=O)CNC(=O)c2ccc(OC(F)F)cc2)cc1 12747359 UMXJBKYRRNOFKV-SFHVURJKSA-N 404.413 3.390 0 40 HGAB CCOC(=O)N1CCN(C(=O)c2cnn(-c3ccc(C)cc3)c2C(F)(F)F)CC1 12748538 GTLYNYWYBVVLBQ-UHFFFAOYSA-N 410.396 3.114 0 40 HGAB CCOc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 12757199 ZSGWSPHELJKOIQ-HOTGVXAUSA-N 418.515 3.136 0 40 HGAB CCOC(=O)N1CCN(C(=O)c2csc(COc3ccc(Cl)cc3)n2)CC1 12851259 KMOUZISVUOAQSH-UHFFFAOYSA-N 409.895 3.290 0 40 HGAB Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)NCc1cccc(C(F)(F)F)c1 12876053 CXXHZVSIWJQRIJ-UHFFFAOYSA-N 412.433 3.385 0 40 HGAB O=C(Nc1cccc2cnccc12)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 12907406 UVYNOONLTUMPAC-UHFFFAOYSA-N 420.494 3.034 0 40 HGAB COC(=O)c1c(NC(=O)CCn2nc(-c3cccs3)oc2=O)sc(C)c1C 12949620 DZMPLEODBYXYQT-UHFFFAOYSA-N 407.473 3.059 0 40 HGAB CCOc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(C)s3)C2)cc1 13019781 OVBAPOJGPDTSOW-HNNXBMFYSA-N 408.545 3.495 0 40 HGAB COc1ccccc1N1C(=O)[C@H]2ON(c3ccccc3)[C@@H](c3ccc(O)cc3)[C@H]2C1=O 13661996 CAUKAGFZMJWBNQ-FSSWDIPSSA-N 416.433 3.452 0 40 HGAB C[C@H]1Cc2ccccc2N1C(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 13669543 RNEGKOCAKUYSFG-ZDUSSCGKSA-N 412.433 3.449 0 40 HGAB C[C@@H](OC[C@H](O)CN(C)Cc1nc(=O)c2ccccc2[nH]1)c1ccc(Cl)cc1 13683052 KTOLXAREESXCQJ-RHSMWYFYSA-N 401.894 3.147 0 40 HGAB CC(C)(C)c1ccc(C(=O)NCc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)cc1 13689531 VMSQVOWYADOARQ-UHFFFAOYSA-N 401.470 3.336 0 40 HGAB O=C(O)[C@@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C(=O)Nc1nc(-c2ccc(Br)cc2)cs1 17093451 XCCBLJLLIOMBMK-ZOBORPQBSA-N 423.288 3.389 0 40 HGAB Cc1ccc(CN(Cc2ccncc2)Cc2ccnc(N3CCN(C)CC3)n2)cc1 19210182 CKLPKHVOCJSOOM-UHFFFAOYSA-N 402.546 3.134 0 40 HGAB COCCOc1cc(CN2C[C@H]3CC[C@](O)(c4ccc(C)cn4)[C@H]3C2)ccc1OC 19216118 VWSKACSZYMFWHY-JXALWOEJSA-N 412.530 3.153 0 40 HGAB CCN1CCN(C(=O)c2cn(C)cn2)C[C@@H](Cc2ccccc2-c2cccs2)C1=O 19527742 YLOGFSYLVOTEOP-GOSISDBHSA-N 422.554 3.312 0 40 HGAB CCOc1cc(CN2CCC[C@H](c3cc(=O)[nH]c(-c4cnccn4)n3)C2)ccc1OC 19531984 LJPZQEYPAQGSSU-KRWDZBQOSA-N 421.501 3.014 0 40 HGAB Cc1nn(C)cc1C(=O)N1CCC[C@@H](c2nc(N(C)C)ncc2-c2ccc(F)cc2)C1 19694065 DIFVXCBYWMSZQJ-QGZVFWFLSA-N 422.508 3.410 0 40 HGAB Cc1ccccc1-c1ccccc1CC1(C(N)=O)CCN(C(=O)c2cnccn2)CC1 19700060 HXTWFFTXTPWUPI-UHFFFAOYSA-N 414.509 3.402 0 40 HGAB COCC(=O)N1CCCC[C@@H]1c1nc(C)c2c(n1)N(CCCc1ccccc1)C(=O)C2 19739677 PGKUYIVPTPEHPO-HXUWFJFHSA-N 422.529 3.007 0 40 HGAB C[C@H]1CCCN(CC(=O)Nc2cnn(CC(=O)Nc3cccc(C(F)(F)F)c3)c2)C1 19746070 NTFBCWCTUGURSP-AWEZNQCLSA-N 423.439 3.211 0 40 HGAB Cc1cc(C)nc(N2CCC(CC(=O)N[C@H](C)CCN3CCCCCC3)CC2)n1 19748261 SLMSQILOXJVNNP-GOSISDBHSA-N 401.599 3.471 0 40 HGAB CCn1c(=O)oc2cc(S(=O)(=O)NCc3ccc(Cl)cc3Cl)ccc21 19936730 HFHLXWUBTDGSMQ-UHFFFAOYSA-N 401.271 3.400 0 40 HGAB CCCCC(=O)Nc1nnc(SCc2cc(=O)n3nc(C4CC4)sc3n2)s1 20983901 INRHKTHTBJZJRW-UHFFFAOYSA-N 422.561 3.301 0 40 HGAB CCOc1ccc(S(=O)(=O)NCCC(=O)N2CCC[C@@H]2c2cccs2)cc1 22131700 MVECIWWTIZVUMP-QGZVFWFLSA-N 408.545 3.179 0 40 HGAB CN(CCOc1ccc(Br)cc1)CN1C(=O)NC2(CCCCCC2)C1=O 23652359 FXGSWMMRZIXGKP-UHFFFAOYSA-N 424.339 3.362 0 40 HGAB COC(=O)c1cccc2c1CCCN2C(=O)Cc1cc(Cl)c2c(c1)OCCO2 25193945 UBCVUUNPWXFVQA-UHFFFAOYSA-N 401.846 3.420 0 40 HGAB O=C(c1ccco1)N1CCN(C[C@@H](O)COc2ccc3oc4ccccc4c3c2)CC1 25330103 MEAPPSPXOTTZOF-QGZVFWFLSA-N 420.465 3.377 0 40 HGAB CCOc1ccc(C(=O)N[C@@H](C(=O)N2CCN(C)C[C@@H]2c2ccccc2)C(C)C)cc1 25541116 FEZUYQWDYWVXPC-DHIUTWEWSA-N 423.557 3.355 0 40 HGAB O=C(c1ccccc1-c1ccc(Cn2cccn2)cc1)N1CCN(c2cnccn2)CC1 25835555 LAHIKFORCOJDGI-UHFFFAOYSA-N 424.508 3.351 0 40 HGAB CC1(C)Cc2cccc(OCCNS(=O)(=O)c3ccc(F)c(F)c3F)c2O1 26882299 UUAJWMOPMNDMEO-UHFFFAOYSA-N 401.406 3.175 0 40 HGAB CCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccc(O)c(C(=O)O)c3)cc12 28463284 KLXRLOVSJZOWFJ-UHFFFAOYSA-N 419.411 3.123 0 40 HGAB Cc1cccc2c(=O)n(CCCC(=O)N3CCN(C)C[C@@H]3c3ccccc3)cnc12 30030454 RIQMTIVJYHDTBO-OAQYLSRUSA-N 404.514 3.000 0 40 HGAB CC(C)Oc1ccc(NC(=O)[C@H]2CCN(S(C)(=O)=O)c3ccccc3O2)cc1 30940271 DKTBGHGIUQMJSE-LJQANCHMSA-N 404.488 3.030 0 40 HGAB NC(=O)c1ccc(CN(C(=O)c2ccc(I)cc2)C2CC2)cc1 31169772 WKTVNXNUQMWVGH-UHFFFAOYSA-N 420.250 3.195 0 40 HGAB CC(C)[C@@H](NC(=O)Nc1ccccc1)C(=O)N[C@H](C)c1ccc(-n2cncn2)cc1 32737930 SYTAGYYOSTUFSN-OXQOHEQNSA-N 406.490 3.291 0 40 HGAB Cc1cc(NC(=O)c2ccc(SC(F)F)cc2)n([C@@H]2CCS(=O)(=O)C2)n1 32752851 INHXBSAQOIFBGM-GFCCVEGCSA-N 401.460 3.118 0 40 HGAB Cc1ccc(-n2nc(C)c(NC(=O)Cn3nc(-c4cccs4)oc3=O)c2C)cc1 32814452 XNWPLXHPXVUSIC-UHFFFAOYSA-N 409.471 3.314 0 40 HGAB CCC[C@@H](c1nnnn1Cc1cccs1)N1CCN(c2ccccc2OC)CC1 35310987 UPGGNWAMOAZVOR-IBGZPJMESA-N 412.563 3.455 0 40 HGAB CC[C@H](C)[C@H](NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc(Cl)cc1)C(=O)OC 36584636 LZQXNDIRDZVDCF-IWEFOYFVSA-N 404.898 3.308 0 40 HGAB CC(=O)N1CCOc2cc(S(=O)(=O)N3CCC[C@H]3c3ccccc3C)ccc21 36620431 JPTMXEBMKNOHCA-IBGZPJMESA-N 400.500 3.266 0 40 HGAB C[C@H]1CCc2c(c3ccccc3n2C(=O)CN2CCN(C(=O)c3ccco3)CC2)C1 37100490 OHLNITSFBICGRI-KRWDZBQOSA-N 405.498 3.457 0 40 HGAB C[C@H]1Sc2ccc(C(=O)OCC(=O)N(C)Cc3cccc(F)c3)cc2NC1=O 39607115 UDEVAKKPEBTVSS-GFCCVEGCSA-N 402.447 3.074 0 40 HGAB CC1CCC(NC(=O)CN2C(=O)N[C@@](C)(c3ccccc3C(F)(F)F)C2=O)CC1 40116586 JPORBSJUMWYKGI-RMTLACHYSA-N 411.424 3.167 0 40 HGAB O=C(CCCc1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2ccccc2)CC1 40140531 CBVILJJYKGRKHI-UHFFFAOYSA-N 406.935 3.196 0 40 HGAB CC(C)CC(=O)Nc1ccc(NC(=O)NCc2cccc(NS(C)(=O)=O)c2)cc1 44031141 RUWQAXXQQFTEIT-UHFFFAOYSA-N 418.519 3.364 0 40 HGAB COc1ccc(Cl)cc1NC(=O)CSc1nccnc1N1CCSCC1 48986565 FTKVVLUOMRNZBU-UHFFFAOYSA-N 410.952 3.423 0 40 HGAB Cc1ccc(-n2nnc(C(=O)N3CCN(c4ccccc4)CC3)c2-n2cccc2)cc1 49002894 CUVDBSUYFBGPHO-UHFFFAOYSA-N 412.497 3.329 0 40 HGAB O=C(c1cc(Br)ccc1Cl)N1CC(c2nc(-c3ncccn3)no2)C1 49482910 CUZUCYWPXDFMTA-UHFFFAOYSA-N 420.654 3.182 0 40 HGAB COC(=O)C1=C(CN2CCc3ccccc3C2)NC(=O)N[C@@H]1c1cccc(Cl)c1 57415042 PIDZIGOBUZKJSV-HXUWFJFHSA-N 411.889 3.179 0 40 HGAB COc1ccc(-c2noc(-c3cccn3CC(=O)N3CCC(C)CC3)n2)cc1OC 57487182 NVBMLRSGARDVQF-UHFFFAOYSA-N 410.474 3.481 0 40 HGAB Cc1cc(C)cc(Nc2nc(C)cc(=O)n2CC(=O)Nc2ccc3c(c2)OCO3)c1 65311023 UVXRHIRAOHJJLC-UHFFFAOYSA-N 406.442 3.280 0 40 HGAB CN(Cc1ccccc1)S(=O)(=O)C[C@@H]1CCCN1C(=O)OCc1ccccc1 83864255 JSYWUXQBRQCQJL-FQEVSTJZSA-N 402.516 3.249 0 40 HGAB Cc1cc(S(=O)(=O)N2CC[C@@H](S(=O)(=O)c3ccc(Cl)cc3)C2)ccc1F 96103499 UGHBFFVTGFYXPE-MRXNPFEDSA-N 417.911 3.024 0 40 HGAB C[C@H](NC(=O)COc1cc(O)c2c(c1)OC(C)(C)CC2=O)c1nc2ccccc2[nH]1 96116431 AQOKIKVOUHWQQL-LBPRGKRZSA-N 409.442 3.269 0 40 HGAB biogenic C[C@@H]1C[C@H](C(=O)O[C@H](C)C(=O)N2CCN(c3ccccc3)CC2)c2ccccc2N1 107150044 QPMAAOZRKFQLES-OPYAIIAOSA-N 407.514 3.255 0 40 HGAB CN(C)S(=O)(=O)c1ccc(C(=O)N2CCS[C@H](c3ccccc3)CC2)cc1 211142710 IIXAOAJLPVNOMW-IBGZPJMESA-N 404.557 3.257 0 40 HGAB CCOC[C@@]1(CN)[C@H](c2ccc(OC)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218121605 ZJNJMNNUEPNQEG-AABGKKOBSA-N 409.935 3.270 0 40 HGAB Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)NCCSC2CCCC2)CC1 222650462 FOMBWNDVDMOOCL-UHFFFAOYSA-N 424.632 3.329 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)NCc1ccccc1C 223098930 KXTPPRFPYPSZNE-UHFFFAOYSA-N 416.543 3.037 0 40 HGAB CCCN1C(C)=NS(=O)(=O)c2cc(C(=O)NCCc3ccc(OC)cc3)ccc21 223110753 LKAQOHBRUFKDLI-UHFFFAOYSA-N 415.515 3.005 0 40 HGAB O=C(NCCO)[C@@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1 223489408 VCBLJECDCYXGMD-XMMPIXPASA-N 420.484 3.247 0 40 HGAB CCc1cccc(C)c1NS(=O)(=O)c1nnc(NC(=O)c2ccccc2)s1 224437770 XPXBFESTBJRKPA-UHFFFAOYSA-N 402.501 3.462 0 40 HGAB CCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1ccc2c(c1)OCO2 224877133 AXIOFUDWTWYOIO-INIZCTEOSA-N 414.477 3.431 0 40 HGAB CSc1ccccc1NC(=O)C(=O)NC[C@@](O)(c1ccco1)c1cccs1 238815250 BHKIKFQCDFOSDQ-LJQANCHMSA-N 402.497 3.054 0 40 HGAB CC(C)CCC(=O)NC[C@@]1(c2ccccc2)CC[C@H](O)[C@@H](N2CCN(C)CC2)CC1 257201634 AIJUBGJONNNQGA-LSQMVHIFSA-N 415.622 3.028 0 40 HGAB O=C(c1ccccc1OCCN1CCOCC1)N1CCC[C@@H]1CCc1ccncc1 257202779 ANKIOMPYGHSMCI-OAQYLSRUSA-N 409.530 3.030 0 40 HGAB CC(=O)OCC(=O)N1CCC[C@H](c2nc(N(C)C)ncc2-c2ccc(Cl)cc2)C1 257244627 IMCZBWHVVATYJB-INIZCTEOSA-N 416.909 3.132 0 40 HGAB Cc1nc(N)cc(C2(C)CCN(C(=O)c3cccc(Oc4ncccn4)c3)CC2)n1 257253725 JZZVZKYUACSDNY-UHFFFAOYSA-N 404.474 3.143 0 40 HGAB COc1ccc(CN(C)C[C@]2(O)CCCN(C(=O)c3cc(C(C)C)n[nH]3)CC2)cc1 257273820 NIJANKKIDCLYMT-QHCPKHFHSA-N 414.550 3.031 0 40 HGAB COc1cccc2c1OC(C)(C)[C@H]1CC3(CO[C@H]21)CN(C(=O)c1cn(C)nc1C)C3 257275643 NQFIVXLGRGLPDY-PKOBYXMFSA-N 411.502 3.128 0 40 HGAB COc1cccc(Cc2cc(C)nc([C@@H]3CN(C(=O)c4ccc(N)nc4)CCO3)c2)c1 257301374 RYFMXEVGKQCLIA-QFIPXVFZSA-N 418.497 3.180 0 40 HGAB CO[C@@H]1CCN(CC(=O)Nc2nc(-c3ccc(F)cc3)cs2)C[C@@]12CCCO2 257304165 SKHLZCNADBQGMP-XLIONFOSSA-N 405.495 3.158 0 40 HGAB CCc1onc(C)c1-c1cccc([C@@H]2CN(C(=O)c3cccnc3OC)CCO2)n1 257338890 YZHUAHKBXMXPGO-IBGZPJMESA-N 408.458 3.225 0 40 HGAB Cc1ccc(Cl)cc1NC(=O)CNC(=O)C(=O)Nc1cccc(C(F)(F)F)c1 408552219 KFOKJZYTKUEOSV-UHFFFAOYSA-N 413.783 3.361 0 40 HGAB CCCCCC1=NN(C(=O)C(=O)Nc2ccccc2OC)[C@](O)(C(F)(F)F)C1 409344654 GEKONXXQOVBOFR-QGZVFWFLSA-N 401.385 3.053 0 40 HGAB COCc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(F)cc3)CC2)cc1 537033433 KXRUOZJAYSOHIK-UHFFFAOYSA-N 406.479 3.012 0 40 HGAB O=C(CNc1ccn(-c2cccc(C(F)(F)F)c2)n1)NCc1ccc2c(c1)OCO2 543029929 FSRCFQHJIZXEBD-UHFFFAOYSA-N 418.375 3.348 0 40 HGAB O=C(c1ccccc1CN1CCCC1)N1CCOC[C@@H](Cc2cccc3[nH]ncc23)C1 585261880 HWPCJTUHBFYCSJ-IBGZPJMESA-N 418.541 3.490 0 40 HGAB Cc1cc(C)nc(Nc2cccc([C@@H]3CCCN(C(=O)/C=C/c4cnc[nH]4)C3)n2)n1 585292005 WRACDZQOGBNIMF-KBOKABMXSA-N 403.490 3.375 0 40 HGAB COc1cc(CNC(=O)N2CCO[C@@H](c3nnc(C)o3)C2)ccc1OCCC(C)C 683817206 BAENVNRFXLKFDQ-LJQANCHMSA-N 418.494 3.095 0 40 HGAB Cc1cc(CN2CCC3(CC2)[C@H](C(=O)N(C)C)c2ccccc2C(=O)N3C(C)C)no1 1549168312 UVGCFSWOUVDLQG-NRFANRHFSA-N 424.545 3.054 0 40 HGAB COC1CCC(Cc2cccc(-c3cnn(C)c3)c2)(C(=O)NC2CCN(C)CC2)CC1 2037838703 XDGUQBJOELCVJF-UHFFFAOYSA-N 424.589 3.415 0 40 HGAB C[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)NCc1ccc(Cl)cc1Cl 667721 QVGVVVKTDBIRIK-SNVBAGLBSA-N 405.278 3.116 0 40 HGAB CCOC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@H]2c3ccc(OC)c(OC)c3C(=O)N12 2092676 GCGONUUWQBSKDO-OXQOHEQNSA-N 406.438 3.218 0 40 HGAB biogenic COc1ccc(-n2c(SCC(=O)O)nnc2-c2ccc(OC)c(OC)c2)cc1 2700586 SWSOKSIKEZMXHU-UHFFFAOYSA-N 401.444 3.137 0 40 HGAB CCOC(=O)c1c(NC(=O)COC(=O)Cn2cnc3ccccc32)sc(C)c1C 3280220 YCJNUKRIKMNDJD-UHFFFAOYSA-N 415.471 3.073 0 40 HGAB COc1ccc2[nH]c(=O)c(CN(CCCO)C(=S)Nc3cccc(C)c3)cc2c1 4128357 WGCXSYXFWDDRQN-UHFFFAOYSA-N 411.527 3.427 0 40 HGAB Cc1ccccc1CSc1nc(-c2cccs2)nc2c1c(=O)n(C)c(=O)n2C 4139188 SJOASJLLICKEAO-UHFFFAOYSA-N 410.524 3.356 0 40 HGAB C[C@H](Sc1nnc(-c2ccco2)o1)C(=O)Nc1ccc(N2CCOCC2)cc1 4828472 LOASUZSMLJVGAA-ZDUSSCGKSA-N 400.460 3.286 0 40 HGAB CCOC(=O)c1ccc(N2C(=O)c3[nH]nc(C)c3[C@H]2c2ccc(C(=O)OC)cc2)cc1 4928865 GTOXUPFTNBKAIO-HXUWFJFHSA-N 419.437 3.431 0 40 HGAB O=C(COC(=O)c1n[nH]c(=O)c2ccccc12)Nc1ccc(SC(F)F)cc1 5166035 GAQVHTCBKSGTAC-UHFFFAOYSA-N 405.382 3.033 0 40 HGAB C[C@@H](Oc1ccccc1Cl)C(=O)N(Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 5576770 KMTCAMHOWJJPFH-WBVHZDCISA-N 407.919 3.323 0 40 HGAB CCCC[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)O 5706797 JSYRZPPVWOULMZ-VQTJNVASSA-N 412.486 3.284 0 40 HGAB CC1(C)C[C@H](n2nc(O)c3c2NC(=O)CS[C@@H]3c2ccc3c(c2)OCO3)CCO1 5862077 JAQOCFQWSLJDLY-SJKOYZFVSA-N 417.487 3.222 0 40 HGAB C[C@@H](NC(=O)COc1ccc(Br)cc1)c1ccc(-n2cncn2)cc1 6541023 QQPZCNSLFRPNLN-CYBMUJFWSA-N 401.264 3.286 0 40 HGAB CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1 6552327 MOSMTNBNUPNIFS-UHFFFAOYSA-N 400.456 3.074 0 40 HGAB Cc1cccc(NC(=O)CNC(=O)COC(=O)c2cccc(-n3cccc3)c2)c1C 6590654 AQAJCVKNIDCJKV-UHFFFAOYSA-N 405.454 3.006 0 40 HGAB COC(=O)c1ccc(C)c(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCC3)c2)c1 7881099 YHRCRLFQBAJYFF-UHFFFAOYSA-N 416.499 3.127 0 40 HGAB CCOc1cc2c(cc1CNC(=O)c1cccc(CN3CCCC3=O)c1)O[C@H](C)C2 8193278 MSSXLMGOJUPYBJ-MRXNPFEDSA-N 408.498 3.461 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NC[C@@H](C)c3ccccc3)C2)cc1 8304040 RBEZMXAOPGCPTK-IEBWSBKVSA-N 416.543 3.016 0 40 HGAB C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)c1ccc(CNC(=O)C(C)(C)C)s1)C2=O 8313255 WKCHPZJJINFYIB-ZSEKCTLFSA-N 419.547 3.094 0 40 HGAB COc1ccc(OC)c([C@H]2CCCN2C(=O)Cn2c(C)nc3ccccc3c2=O)c1 8509950 IJXAHNCZONVEEG-HXUWFJFHSA-N 407.470 3.086 0 40 HGAB CCCCn1nc(C(=O)NC[C@@H](c2ccco2)N2CCCC2)c2ccccc2c1=O 9577351 PIBJPGVRRHPHIO-IBGZPJMESA-N 408.502 3.357 0 40 HGAB CC[C@@H](C)n1c(C)c(C)n2c3c(=O)n(C/C=C/c4ccccc4)c(=O)n(C)c3nc12 10104282 OWDFKIGWASLOKD-NRMKIYEFSA-N 405.502 3.451 0 40 HGAB O=C(COc1ccc2c3c(c(=O)oc2c1)CCCC3)N1CC[C@@]2(O)CCCC[C@@H]2C1 11866943 QQIHCFGOCLDCLG-GYCJOSAFSA-N 411.498 3.204 0 40 HGAB biogenic Cc1nc(COc2ccc(C(=O)O[C@H](C)C(=O)N3c4ccccc4C[C@@H]3C)cc2)no1 12072893 QMSXCWIZECRIKO-LSDHHAIUSA-N 421.453 3.480 0 40 HGAB CCCS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)C3CCCCC3)cc21 12180619 UECSLHRQYXSKKZ-UHFFFAOYSA-N 400.566 3.253 0 40 HGAB CCN(CC)C(=O)CN1C(=O)C(C)(C)Oc2ccc(C(=O)c3cccs3)cc21 12242296 RQVWUECZNKEEHA-UHFFFAOYSA-N 400.500 3.352 0 40 HGAB COc1ccc([C@H](O)CN2CCC3(CC2)C[C@H](O)c2cc(F)ccc2O3)cc1OC 12329668 LVJYNKJPGVZBOW-RBUKOAKNSA-N 417.477 3.227 0 40 HGAB COc1ccc(CN(C)CC(=O)N2c3ccccc3NC(=O)C[C@H]2C(F)(F)F)cc1 12804081 MHSAVVWBWXNNJJ-SFHVURJKSA-N 421.419 3.433 0 40 HGAB COc1cc(C(C)=O)ccc1OCC(=O)N1CCC[C@H](C(=O)Nc2ccccc2)C1 12885679 PNXLRQRGDABNTN-SFHVURJKSA-N 410.470 3.154 0 40 HGAB CCOc1ccc2nc(NC(=O)CNC(=O)c3ccc(Br)o3)sc2c1 12891625 MRELWQHZHVJTBX-UHFFFAOYSA-N 424.276 3.419 0 40 HGAB O=C1C[S@](=O)[C@H](c2ccc(Cl)cc2)C(=O)N1c1ccc(Br)cc1 12957602 VTMXCIQKXXSKDD-IQMFZBJNSA-N 412.692 3.466 0 40 HGAB COC(=O)c1ccc(OCc2cc(=O)n3cccc(C)c3n2)c(Br)c1 12981371 HGYXJOPIVSOLRF-UHFFFAOYSA-N 403.232 3.131 0 40 HGAB Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)N3CCC[C@H](C)C3)Oc3ccccc32)cc1 13648023 KBSYRVHXHXBSKP-UWJYYQICSA-N 414.527 3.210 0 40 HGAB COc1cc2cc(C(=O)NCC(=O)Nc3nc4ccccc4s3)n(C)c2cc1OC 13735895 HESRIQRGMKLEEA-UHFFFAOYSA-N 424.482 3.174 0 40 HGAB COC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)sc(C)c1C 14652137 ATBCFCUCPJTRMA-UHFFFAOYSA-N 422.528 3.188 0 40 HGAB CN(C)S(=O)(=O)c1ccccc1CNC(=O)c1csc(-c2cccs2)n1 14804324 BRROGNMJZXRGFX-UHFFFAOYSA-N 407.542 3.052 0 40 HGAB COc1ccc(OC)c(NC(=O)[C@@H]2CC(=O)N(c3cc(Cl)ccc3OC)C2)c1 15083154 BZHMYGCOHKCGPG-GFCCVEGCSA-N 404.850 3.357 0 40 HGAB COc1ccccc1-c1nnc(NC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)o1 15391498 PAPUWGNUBRQGHS-UHFFFAOYSA-N 421.862 3.201 0 40 HGAB O=C(NC[C@@H](c1cccnc1)N1CCc2ccccc2C1)C(=O)Nc1ccc(F)cc1 15882586 ZZKKZMUGHFLGFS-QFIPXVFZSA-N 418.472 3.075 0 40 HGAB Cc1c(NS(=O)(=O)c2cccc(C(F)(F)F)c2)c(=O)n(-c2ccccc2)n1C 16099522 JJDIGSAFHZQBEI-UHFFFAOYSA-N 411.405 3.304 0 40 HGAB O=C(CCc1nc(-c2ccc(F)cc2)no1)OCc1cc(=O)oc2cc(O)ccc12 16560483 DSTBAZIRZPJGIY-UHFFFAOYSA-N 410.357 3.364 0 40 HGAB CCCS(=O)(=O)N1CCCc2ccc(NC(=O)COc3ccccc3OC)cc21 17286489 VPZULGIGVXDVPI-UHFFFAOYSA-N 418.515 3.205 0 40 HGAB NC(=O)[C@@]1(Cc2cccc(-c3ccccc3)c2)CN(C(=O)c2ccccc2)CCO1 19374218 WWJCBCZEBSEUKG-RUZDIDTESA-N 400.478 3.293 0 40 HGAB CCc1cc(C(F)(F)F)n2nc(C3CCN(Cc4cnc(OC)nc4)CC3)cc2n1 19522464 ZQWFOLUECHUKIX-UHFFFAOYSA-N 420.439 3.489 0 40 HGAB CC(C)CC(=O)N1CCO[C@H](c2c(C(=O)NCCN(C)C)sc3ccccc23)C1 19697916 FIEIGYOKHLAIRM-KRWDZBQOSA-N 417.575 3.139 0 40 HGAB CC(=O)N1CCC(c2ccc(C(=O)N[C@H](C)Cc3ccc(N(C)C)cc3)cn2)CC1 19708267 YZNRPSMRBXSNTP-QGZVFWFLSA-N 408.546 3.235 0 40 HGAB COc1ccc(S(=O)(=O)N[C@@H]2CCCc3ccccc32)cc1N1CCCC1=O 19931677 KBFLRTOMXGVFLX-GOSISDBHSA-N 400.500 3.178 0 40 HGAB COc1cc2c(cc1OC)N(C)S(=O)(=O)C(C(=O)Nc1cc(C)cc(C)c1)=C2C 20063936 DDKGWPUTYYEHTO-UHFFFAOYSA-N 416.499 3.470 0 40 HGAB Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccccc1F)N(CCN1CCOCC1)C3=O 20308571 HHLITUMVQMTION-OAQYLSRUSA-N 422.456 3.118 0 40 HGAB CC[C@@]1(C)Cc2c(sc3nc(SC)nc(NCCN4CCOCC4)c23)CO1 20358855 WEXFNYHTNZFCMP-IBGZPJMESA-N 408.593 3.399 0 40 HGAB O=C(COCc1cc(-c2ccc(F)cc2)on1)N1CCN(C2CCCCC2)CC1 20478947 LYGYMCAUMGAGEH-UHFFFAOYSA-N 401.482 3.474 0 40 HGAB CCN1CCN(CCOc2ccc3c(=O)c(-c4ccc(OC)cc4)coc3c2)CC1 20590233 WLLMMSZKVUYHKT-UHFFFAOYSA-N 408.498 3.485 0 40 HGAB biogenic COC(=O)[C@@H](NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc(Cl)cc1F)C(C)C 20716746 JTLHSIAIPABSJO-RDJZCZTQSA-N 408.861 3.057 0 40 HGAB O=C(O)[C@H]1CCCN(C(=O)Cc2csc(-c3cccc(Br)c3)n2)C1 20725916 KPIMMZFUFQUWGO-LBPRGKRZSA-N 409.305 3.438 0 40 HGAB CC(=O)Nc1ccc(NC(=O)CSCc2nc3sc(C)c(C)c3c(=O)[nH]2)cc1 22043112 WLZXOIZSCMJQGS-UHFFFAOYSA-N 416.528 3.432 0 40 HGAB Cc1ccc([C@@H](O)CN2CCN([C@@H](c3ccccc3)c3nccn3C)CC2)c(C)c1 22887468 NXLLLTKHHCAZIL-ZEQRLZLVSA-N 404.558 3.478 0 40 HGAB COc1ccc(C)cc1NC(=O)CNS(=O)(=O)c1c(C)c(C)c(C)c(C)c1C 24770627 SPAMLYMXPXFQDP-UHFFFAOYSA-N 404.532 3.463 0 40 HGAB CCC(=O)Nc1cccc(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)c1 24831889 ZTJIFTYYJGDELN-UHFFFAOYSA-N 409.895 3.191 0 40 HGAB C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)c2cc(F)c(Cl)cc2Cl)CC1 31209436 WMQICRNAQAORCN-ZDUSSCGKSA-N 416.324 3.291 0 40 HGAB Cc1ccc(Nc2nc(NCc3ccc4c(c3)OCO4)nc(N3CCOCC3)n2)cc1 32603967 XDFBERCQSGIQRY-UHFFFAOYSA-N 420.473 3.101 0 40 HGAB O=C(O)[C@@H]1CC=CC[C@H]1C(=O)Nc1nn(Cc2ccccc2F)cc1Br 32610346 HAZVJNGWLOWIKW-CHWSQXEVSA-N 422.254 3.439 0 40 HGAB O=C(c1ccc(F)c(F)c1)N1CCN(C(=O)c2nc(Cl)ccc2Cl)CC1 32800674 MMIQNEKPAPHZFA-UHFFFAOYSA-N 400.212 3.265 0 40 HGAB C[C@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)N1CCN(C(=O)C2CC2)CC1 35286812 ZXRPUZGCWCKUED-GOSISDBHSA-N 407.514 3.147 0 40 HGAB COc1cc(CC(=O)N2CC=C(c3c[nH]c4ncccc34)CC2)cc(OC)c1OC 40042953 GTLQZMKRMUQXSZ-UHFFFAOYSA-N 407.470 3.447 0 40 HGAB O=C(NCCCN1CCCC1)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1 44900189 CFQZUEFRVCIFDL-UHFFFAOYSA-N 421.950 3.357 0 40 HGAB COc1ccc(OC)c(S(=O)(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)c1 46017551 ZBXYFMVSVVMHPH-UHFFFAOYSA-N 408.501 3.462 0 40 HGAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)NCc1ccnc(-n2ccnc2C)c1 47013587 BUSSWRWRMSUZJG-OAQYLSRUSA-N 401.470 3.156 0 40 HGAB FC(F)(F)CN1CCN(Cc2nc(-c3cc(Br)cs3)no2)CC1 56282185 NULSQNRKCHINFU-UHFFFAOYSA-N 411.247 3.241 0 40 HGAB CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)N1CCN(c2ccc(F)cc2)CC1 57670942 ZGHADICUHCCZLG-NRFANRHFSA-N 410.497 3.142 0 40 HGAB CCCCn1nc(C(=O)NC[C@H]2CCN(c3cc(Cl)ccc3C)C2)ccc1=O 58246785 LYUQCKZQOASDDG-MRXNPFEDSA-N 402.926 3.262 0 40 HGAB O=C(CN1CC[C@H](c2ccccc2)C1)NC1CCN(C(=O)CCc2ccccc2)CC1 69569982 LIYXUXZRZGUCII-QHCPKHFHSA-N 419.569 3.216 0 40 HGAB Cc1c(C(=O)N[C@H](C)C(C)C)nnn1-c1cccc2c1CCN(Cc1cccnc1)C2 69974043 DBOZEHYVMKIJBX-QGZVFWFLSA-N 418.545 3.303 0 40 HGAB CCN(CC)S(=O)(=O)N1CCC[C@H]1c1cc(Nc2nc(C)cc(C)n2)cc(C)n1 72372531 YUHKPGFXNPKKIM-IBGZPJMESA-N 418.567 3.264 0 40 HGAB C[C@H](CN(C)C(=O)CN1CC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1)c1ccccc1 72373100 CYTBWQLIRQCWPO-CTNGQTDRSA-N 422.573 3.021 0 40 HGAB COCCN(C)C(=O)[C@H]1C[C@]2(CO1)CN(Cc1ccc(F)cc1F)c1ccccc12 96143990 SUIIDKOBPDSMTD-FYYLOGMGSA-N 416.468 3.117 0 40 HGAB COc1cccc(NC(=O)[C@@H](Cc2ccccc2)N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)c1 101324203 WUTPPIUYJYTFQU-QTBWBUICSA-N 416.477 3.052 0 40 HGAB O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)N(Cc1ccco1)Cc1cccs1 102967937 DPUBEVDXMPSBJB-ROUUACIJSA-N 400.500 3.435 0 40 HGAB COc1cc(/C=C2/NC(=S)NC2=O)ccc1OCc1ccc(Br)cc1 113831159 IPTHGFWIBULDSD-RIYZIHGNSA-N 419.300 3.382 0 40 HGAB Cc1ccc(OC[C@@H](C)NC(=O)c2ccc(CS(=O)(=O)N3CCCC3)cc2)cc1 219966868 CHENFFBLRSDHNS-GOSISDBHSA-N 416.543 3.118 0 40 HGAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1Cc1ccncc1 223606489 TULGAPZTIDOFBV-YADHBBJMSA-N 421.570 3.298 0 40 HGAB COc1ccc(S(=O)(=O)N(C)Cc2nc(-c3ccc(Cl)cc3)no2)cc1OC 223764147 UDUFSXVRDHVIGL-UHFFFAOYSA-N 423.878 3.228 0 40 HGAB CCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CCc1ccc2c(c1)OCO2 224628353 GPJVOVDUJRPUKW-FQEVSTJZSA-N 410.514 3.334 0 40 HGAB CCOc1ccccc1N(CC(=O)N[C@@H](C)C(C)C)S(=O)(=O)c1ccccc1 225187305 NBJKDENEDXGZLY-KRWDZBQOSA-N 404.532 3.441 0 40 HGAB O=C(Nc1ccc(OCCN2CCOCC2)cc1)C1(c2ccccc2)CCOCC1 225561143 LBYZSZCKYGATBI-UHFFFAOYSA-N 410.514 3.085 0 40 HGAB COC(=O)Nc1ccc(S(=O)(=O)NCc2cccnc2-c2cccs2)cc1 225763200 UBNSWQGCGCPBLM-UHFFFAOYSA-N 403.485 3.467 0 40 HGAB COc1ccccc1[C@H](C)NC(=O)[C@H](C)N(c1cc(C)ccc1C)S(C)(=O)=O 260770304 RVPQQQORKJLALV-IRXDYDNUSA-N 404.532 3.344 0 40 HGAB CC(C)n1ccc2c1CN(C(=O)c1ccnn1C)Cc1cn(Cc3ccccn3)nc1-2 306131611 KJYUYAWPLGBPSD-UHFFFAOYSA-N 415.501 3.265 0 40 HGAB Cc1cc(C)cc(CN2C[C@H]3Cn4c(nnc4C(=O)NCc4ccccc4)C[C@H]3C2)c1 306137872 RIQFGQJTOMTHKH-VXKWHMMOSA-N 415.541 3.129 0 40 HGAB CCOC(=O)C1=C(C)N(N)C(=O)N[C@H]1c1ccc(OCc2ccccc2)c(OC)c1 408731535 NMITYAGACHJJML-FQEVSTJZSA-N 411.458 3.051 0 40 HGAB O=C(O)c1ccc(S(=O)(=O)Nc2ccc(Br)c3cccnc23)cc1 509386926 SGXSENHEFKKVEX-UHFFFAOYSA-N 407.245 3.496 0 40 HGAB O=C(NCc1ccc2c(c1)OCO2)NCC1(Cc2nnc3ccccn23)CCCCC1 524734987 XHLNRCBUCZNHCW-UHFFFAOYSA-N 421.501 3.450 0 40 HGAB O=C(COc1cccc(Cl)c1)NC[C@H]1OCCc2cn(Cc3ccccc3)nc21 585111240 KQNIVGTWYRXLEP-HXUWFJFHSA-N 411.889 3.394 0 40 HGAB C=CC(=O)Nc1cc(NC(=O)c2cc(C(=O)OC)nn2-c2ccccc2)ccc1F 1116258288 DXVDIQRJKAJVLU-UHFFFAOYSA-N 408.389 3.175 0 40 HGAB COc1ccc(-c2ncnc(N3CCN(C(=O)c4csc(C)n4)CC3)c2F)cc1 1775974908 WMAXNBNHIBPAEJ-UHFFFAOYSA-N 413.478 3.019 0 40 HGAB O=C(O)c1ccc(C(=O)O)c(-c2cccc(-c3cc(C(=O)O)ccc3C(=O)O)n2)c1 1857793408 ATFATVISUIEMEN-UHFFFAOYSA-N 407.334 3.208 0 40 HGAB CC(C)(C)c1cn2nc(N3CCN(c4nccc(C(F)(F)F)n4)CC3)ccc2n1 1888897597 NOJCIWZMOIPSHA-UHFFFAOYSA-N 405.428 3.162 0 40 HGAB O=C1c2sc3nc(=O)c(-c4ccccc4)nn3c2C(=O)N1c1cccc(Cl)c1 954379 YLEFTHXWBXFTDZ-UHFFFAOYSA-N 408.826 3.272 0 40 HGAB COc1cc(/C=C/C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc(OC)c1OC 1470060 CWWFQXQTKAAYQX-VAWYXSNFSA-N 423.469 3.162 0 40 HGAB CCOC(=O)CCCN(c1ccccc1C(=O)OC)S(=O)(=O)c1ccc(C)cc1 1691751 MJSQCFDXCIVWRA-UHFFFAOYSA-N 419.499 3.320 0 40 HGAB CCOC(=O)c1c(C)n(C)c2ccc(OC)c(NC(=O)CN3CCC[C@@H](C)C3)c12 2262670 LUEVSJIYBKGQMX-CQSZACIVSA-N 401.507 3.342 0 40 HGAB O=C(NCCc1c[nH]c2ccccc12)c1ccc(S(=O)(=O)NCc2ccco2)cc1 2657162 MAYHCQZMOXKEIU-UHFFFAOYSA-N 423.494 3.212 0 40 HGAB aggregator O=S(=O)(c1ccc(Oc2ncnc3sccc23)c(Cl)c1)N1CCOCC1 3261257 GWWDKWSOKDWNHU-UHFFFAOYSA-N 411.892 3.158 0 40 HGAB CCCCn1c(SCC(=O)NC(=O)NCCC(C)C)nc2ccccc2c1=O 3492746 YUZLUKUIKPGWDF-UHFFFAOYSA-N 404.536 3.161 0 40 HGAB C[C@@H](OC(=O)c1ccc(CSc2nc3ccccc3s2)cc1)C(=O)NC(N)=O 3548500 MTNMCVHFPLZAQJ-LLVKDONJSA-N 415.496 3.329 0 40 HGAB C[C@@]1(c2ccccc2Cl)NC(=O)N(CC(=O)N[C@H]2CCCc3ccccc32)C1=O 3593460 MMXMWNLTRNSXJU-AVRDEDQJSA-N 411.889 3.301 0 40 HGAB CCOc1ccccc1NC(=O)CN1C(=O)N[C@@](C)(c2ccccc2Cl)C1=O 3593681 YVMNTCZKYNVUPQ-FQEVSTJZSA-N 401.850 3.144 0 40 HGAB CCN1C(=O)[C@@](O)(CC(=O)c2ccc(OC)cc2)c2cc(Br)ccc21 4555014 FROLZKJKBHSVCO-LJQANCHMSA-N 404.260 3.285 0 40 HGAB C[C@H]1CCCN(S(=O)(=O)c2ccc(NS(=O)(=O)Cc3ccccc3)cc2)C1 4742380 XYFGEOOBCCXIQP-INIZCTEOSA-N 408.545 3.049 0 40 HGAB Cn1c(=O)oc2cc(S(=O)(=O)Nc3ccc4oc5c(c4c3)C(=O)CCC5)ccc21 5014258 KLOKMWOGMIXGEN-UHFFFAOYSA-N 412.423 3.198 0 40 HGAB CCOC(=O)c1ccccc1NC(=O)c1ccc(N2CCCCS2(=O)=O)cc1 5099732 DVQKUGPYTFHGNJ-UHFFFAOYSA-N 402.472 3.046 0 40 HGAB Cc1ccc(NC(=O)COc2ccc(N3C[C@H](C(=O)NCC(C)C)CC3=O)cc2)cc1 6030006 JVLZELUVBNBVHB-GOSISDBHSA-N 423.513 3.138 0 40 HGAB COC(=O)c1cccc(NC(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)c1C 6455944 LPPANSRIAVEGCZ-UHFFFAOYSA-N 418.515 3.310 0 40 HGAB CCN(c1ccccc1)S(=O)(=O)c1nnc(NC(=O)c2ccc(C)cc2)s1 6818268 HRCXHYYPAFUOKG-UHFFFAOYSA-N 402.501 3.314 0 40 HGAB Cc1nc(NC(=O)COC(=O)c2cc(=O)[nH]c3ccccc23)c(Cl)cc1Cl 7679548 RNMAYGVPWYLWKY-UHFFFAOYSA-N 406.225 3.334 0 40 HGAB Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H](C(=O)c2ccc(Cl)cc2)N2CCC[C@H]32)cc1 7991595 DNFVZNPHOQSYCX-YSTOQKLRSA-N 408.885 3.484 0 40 HGAB COc1ccc(Cl)cc1CN(C)CC(=O)Nc1ccc(CN2CCOCC2)cc1 8006179 DUUPGSREQSXNHF-UHFFFAOYSA-N 417.937 3.251 0 40 HGAB O=C(CCC(=O)N1CCC(c2ccccc2)=N1)Nc1ccccc1N1CCCC1=O 8076005 AFJROTXRFRZQIJ-UHFFFAOYSA-N 404.470 3.169 0 40 HGAB COc1ccc(C(=O)N2CC[C@H]3CCCC[C@@H]3C2)cc1S(=O)(=O)N1CCCC1 8345890 PAPFBBRXWLOWFN-SJLPKXTDSA-N 406.548 3.132 0 40 HGAB C=CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc1OC 8477254 JKTFKPMZGYYXOD-NTEUORMPSA-N 404.850 3.318 0 40 HGAB Cc1csc(NC(=O)CSc2nnc(NC(=O)Cc3cccs3)s2)n1 9600174 WYJWGUVKZCIFIH-UHFFFAOYSA-N 411.559 3.277 0 40 HGAB O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cncn1-c1ccc(F)cc1 9744204 NSMJYFNKQGLRBX-UHFFFAOYSA-N 414.462 3.048 0 40 HGAB C[C@H]1Cc2cc(S(=O)(=O)N3CCCCC3)ccc2N1S(=O)(=O)c1ccccc1 10119287 HQKUHEYROZYKTD-INIZCTEOSA-N 420.556 3.001 0 40 HGAB CCc1c(C)sc2nc(S[C@H]3CCCCNC3=O)n(C[C@H]3CCCO3)c(=O)c12 10260477 KPSTZQIIJFGXMB-HIFRSBDPSA-N 421.588 3.269 0 40 HGAB O=C(/C=C/c1cccc(OCc2ccccc2)c1)N1CCN(c2ncccn2)CC1 10514162 GWEUXFXLYNEHAK-ZHACJKMWSA-N 400.482 3.418 0 40 HGAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)C(=O)c1ccc2ccccc2n1 11919163 MYXMMAKSMOTTGX-HNNXBMFYSA-N 402.454 3.071 0 40 HGAB COc1ccc(-c2ncc(CN(Cc3ccc4c(c3)OCO4)C[C@@H](C)O)cn2)cc1 12185835 YQKBUDPBVWVKRR-MRXNPFEDSA-N 407.470 3.264 0 40 HGAB COc1cc(CN2CCC(O)(Cn3ccc4ccncc43)CC2)cc(OC)c1OC 12222560 BUTPFKZRJFZHHO-UHFFFAOYSA-N 411.502 3.089 0 40 HGAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2sc3nc(C)cc(C)c3c2N)c1 12249701 ISLBKSCGCNHEFI-UHFFFAOYSA-N 413.455 3.321 0 40 HGAB Cn1c(CCNC(=O)c2ccco2)nc2cc(NC(=O)COc3ccccc3)ccc21 12407024 UWFXTTWCWNJGCU-UHFFFAOYSA-N 418.453 3.156 0 40 HGAB C[C@H](Oc1ccc(F)cc1)C(=O)N1CCC(c2noc(-c3ccc(O)nc3)n2)CC1 12408009 NEMDYJUAVARQDL-ZDUSSCGKSA-N 412.421 3.150 0 40 HGAB O=S(=O)(c1ccccc1)c1cnc2ccccc2c1N1CCC2(CC1)OCCO2 12437823 CDDJBTQEYIFONM-UHFFFAOYSA-N 410.495 3.411 0 40 HGAB Cc1cc(C)n2nc(SCc3ccccc3C(=O)NCc3cccnc3)nc2n1 12541737 QCIPLDGVXIJGQN-UHFFFAOYSA-N 404.499 3.358 0 40 HGAB COc1ccc(S(=O)(=O)N(C)c2ccc(OC(=O)c3ccc(C)nc3)cc2)cc1 12774627 WYSUHCDKGJKCIR-UHFFFAOYSA-N 412.467 3.443 0 40 HGAB CC(=O)Nc1cccc(NC(=O)CCn2cnc3sc4c(c3c2=O)CCCC4)c1 12787954 BHSMYQDYNNSDTC-UHFFFAOYSA-N 410.499 3.324 0 40 HGAB Cc1cc(=O)c(C(=O)NC[C@@H](c2ccccc2)N(C)C)nn1-c1ccccc1Cl 12792557 FELATJOWLIWOQJ-IBGZPJMESA-N 410.905 3.227 0 40 HGAB Cc1cccc(C)c1-n1c(SCCN2C(=O)CCC2=O)nc2ccccc2c1=O 12915545 FAVXKKIUQIMQHZ-UHFFFAOYSA-N 407.495 3.244 0 40 HGAB CN(C)S(=O)(=O)c1cccc(NC(=O)CCC(=O)c2ccc3c(c2)CCC3)c1 12997188 YMQYRQJPIADREC-UHFFFAOYSA-N 400.500 3.027 0 40 HGAB Cc1ccn(C[C@H](C)C(=O)N2CCC[C@H](c3nc4ccc(F)cc4cc3C(N)=O)C2)n1 13227731 IJLITVBQPOADSP-HOCLYGCPSA-N 423.492 3.020 0 40 HGAB Cc1ccc2cc(CN(Cc3ccco3)C(=S)NC[C@@H]3CCCO3)c(=O)[nH]c2c1 13554943 QWBGDTLPKIOGEH-SFHVURJKSA-N 411.527 3.485 0 40 HGAB Cc1ccc(S(=O)(=O)Nc2cc(C(=O)NCCCN3CCCC3)ccc2C)cc1 13676339 PLOWLABXLBYGTO-UHFFFAOYSA-N 415.559 3.320 0 40 HGAB CCN1CCC[C@H]1CNC(=O)c1sc(-c2cc(OC)c(OC)c(OC)c2)nc1C 13723943 JFSUGZAYAXUPDW-HNNXBMFYSA-N 419.547 3.358 0 40 HGAB O=C(CSCc1ccccc1Cl)N1CCN(S(=O)(=O)c2ccccc2)CC1 14196991 HSGBXLCXCSIGDN-UHFFFAOYSA-N 424.975 3.106 0 40 HGAB O=C(Nc1ncc(Cc2c(Cl)cccc2Cl)s1)[C@@H]1CCS(=O)(=O)C1 14197245 BXBYJXARNGYIQB-SECBINFHSA-N 405.328 3.414 0 40 HGAB CC1CCN(c2nnc(Sc3ccc4nnc(C(F)(F)F)n4n3)n2C2CC2)CC1 14311261 VNCUKMANCIYCNM-UHFFFAOYSA-N 424.456 3.457 0 40 HGAB COc1ccc(S(=O)(=O)NCCOc2ccc3ccccc3c2)cc1NC(C)=O 15362110 NPFNCQQCPKMTSH-UHFFFAOYSA-N 414.483 3.164 0 40 HGAB COc1ccc(-c2noc(CSc3nc4ccccc4c(=O)n3C)n2)c(OC)c1 17144337 WXBNKLWHOUJTOM-UHFFFAOYSA-N 410.455 3.293 0 40 HGAB CCc1nc2ccccc2n1CC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 17336807 BBRBVMBIZRHDFI-UHFFFAOYSA-N 412.515 3.022 0 40 HGAB Cc1cc2c(o1)c1cnn(CC(=O)N(Cc3ccncc3)C3CC3)c(=O)c1n2C(C)C 19125926 GJSIMAFGRIEDPA-UHFFFAOYSA-N 419.485 3.420 0 40 HGAB O=C(CC1CCCC1)N1CCO[C@](Cc2ccccn2)(C(=O)NCc2ccccc2)C1 19700912 ZQXJBAKCNDPCDB-VWLOTQADSA-N 421.541 3.118 0 40 HGAB COCCNC(=O)c1cc([C@@H]2CN(Cc3ccc(F)cc3)CCO2)nc2ccccc12 19759497 SLJLETVXFQJBKH-QHCPKHFHSA-N 423.488 3.324 0 40 HGAB CNc1cc(CN(C)C(C)=O)nc([C@@H]2CCCN2Cc2cccc3ncccc23)n1 19760559 IBQCQQQYRPFGBO-NRFANRHFSA-N 404.518 3.382 0 40 HGAB CN(C)CCCN1CN=C2N[C@H](c3ccc(Cl)cc3)n3c(nc4ccccc43)N2C1 20101301 DXVOBXYDKSDWFD-FQEVSTJZSA-N 423.952 3.185 0 40 HGAB CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 20459532 TVNIUDPCGIMDJU-FQEVSTJZSA-N 418.515 3.276 0 40 HGAB COc1cc(OC)cc([C@@H](NC(=O)Cc2noc3ccccc23)c2nccn2C)c1 24023709 XKZRZZVWSWIUBD-OAQYLSRUSA-N 406.442 3.027 0 40 HGAB CC(C)[C@H](NC(=O)CCS(=O)(=O)c1ccc2c(c1)OCCO2)c1ccc(F)cc1 24136060 RLMCRLMGUYRZEY-NRFANRHFSA-N 421.490 3.274 0 40 HGAB CN(CC(=O)Nc1ccccc1Cl)C(=O)[C@H]1CCCCN1C(=O)c1cccs1 24646782 ROTIVPGIRIVMFE-MRXNPFEDSA-N 419.934 3.493 0 40 HGAB O=C(CCc1ccc2c(c1)OCO2)OCc1cc(=O)n2c(n1)sc1ccccc12 24684456 DQUIAKUHEOXTLT-UHFFFAOYSA-N 408.435 3.314 0 40 HGAB CC(C)[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N1CCC2(CC1)OCCO2 24995561 CYHJWYMDGVSENQ-INIZCTEOSA-N 415.317 3.113 0 40 HGAB COCCOC(=O)C1=C(C)N(c2ccc3c(c2)OCO3)C(=O)N[C@H]1c1ccccc1 25049386 QFRCHSVQGRYUCM-FQEVSTJZSA-N 410.426 3.150 0 40 HGAB O=C(c1cc(=O)[nH]c2ccccc12)N1CCN(CCOc2ccccc2Cl)CC1 26081030 CISZIMPEKPKVNZ-UHFFFAOYSA-N 411.889 3.018 0 40 HGAB CC(=O)c1ccc(N2CCN(CC(=O)N[C@@H]3CCC[C@H](C(F)(F)F)C3)CC2)cc1 26159160 SIPKVSYDKINDRQ-ZWKOTPCHSA-N 411.468 3.249 0 40 HGAB CCN(CCC(=O)Nc1ccnn1C1CCCC1)CC(=O)Nc1ccc(OC)cc1 30221349 OVMGXIUOXUPXTH-UHFFFAOYSA-N 413.522 3.296 0 40 HGAB C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)NCCCC3CCCC3)c2)C[C@H](C)O1 31145823 JSXRUIYWNQGMCI-IRXDYDNUSA-N 408.564 3.185 0 40 HGAB Cc1cccc(-c2noc(CCn3nc(-c4ccc5c(c4)OCO5)ccc3=O)n2)c1 33309718 UJPQPZJAPSQRRT-UHFFFAOYSA-N 402.410 3.240 0 40 HGAB COc1ccc(CN2C(=O)CC[C@]2(C)C(=O)Nc2ccc(N3CCOCC3)cc2)cc1 33434007 DHXMYAPKKISSDC-XMMPIXPASA-N 423.513 3.052 0 40 HGAB COc1ccc(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@H](C(=O)c4ccc(Cl)cc4)[C@@H]3C2=O)cc1 35848484 USJLSKUJLJCMPX-NMLBUPMWSA-N 424.884 3.184 0 40 HGAB Cc1ccc(-c2noc([C@@H](C)N3CCN(Cc4nnsc4Cl)CC3)n2)cc1 40086169 ICOGZDULNKEPPZ-CYBMUJFWSA-N 404.927 3.429 0 40 HGAB Cc1cc(C)n2ncc(C(=O)NC3CCN(c4ccc(C(F)(F)F)cn4)CC3)c2n1 40108882 WXCYXYLWOXJCPT-UHFFFAOYSA-N 418.423 3.159 0 40 HGAB C[C@@H]1CCCC[C@H]1OCCNC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 45956018 WQXDGGVZAMNFDM-CZUORRHYSA-N 417.959 3.307 0 40 HGAB CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)CCn2c(=O)n(C)c3ccccc32)c1 48356156 AOSALNDSDPWEHL-MRXNPFEDSA-N 408.502 3.031 0 40 HGAB CCC(CC)[C@@H](CNC(=O)Nc1ccc(C(=O)N2CCOCC2)cc1)N1CCCC1 58324403 WKEBMGLWUIRJSP-OAQYLSRUSA-N 416.566 3.181 0 40 HGAB C[C@@H]1Sc2ccc(C(=O)N3CCN(C(=O)Oc4ccccc4)CC3)cc2NC1=O 58407580 YWGHWQQRKCZMOE-AWEZNQCLSA-N 411.483 3.076 0 40 HGAB COC(=O)C1=C(c2ccc(Cl)cc2)Nc2ncnn2[C@H]1c1ccc(C(=O)OC)cc1 59227894 QZNUYJPJOJGLLI-SFHVURJKSA-N 424.844 3.317 0 40 HGAB CC(=O)c1ccc(NC(=O)[C@@H]2CCCN(c3ccc(-n4nc(C)cc4C)nn3)C2)cc1 62164002 SEIVGCLVNFAIEE-LJQANCHMSA-N 418.501 3.337 0 40 HGAB COc1cc(NC(=O)c2cc3c([nH]c2=O)C[C@H](c2ccco2)CC3=O)cc(OC)c1 64775549 KZKOWGNCQBNINM-LBPRGKRZSA-N 408.410 3.150 0 40 HGAB CCN(CC)[C@H](CNC(=O)[C@H]1CCCN1C(=O)CC(C)(C)C)Cc1ccccc1 69491402 FSIIREQSOCKLCF-LEWJYISDSA-N 401.595 3.483 0 40 HGAB COc1ccc(C2=NC3(CCCCC3)N(CC(=O)NCc3ccccc3)C2=O)cc1 71768918 PKIZLRTZUPIZQK-UHFFFAOYSA-N 405.498 3.303 0 40 HGAB COCCNC(=O)c1ccc(Cl)c(NC(=O)c2c(C)noc2C(F)(F)F)c1 72308024 QGHNLCNYDGLTBL-UHFFFAOYSA-N 405.760 3.284 0 40 HGAB COc1ccc2[nH]c3c(c2c1)CN(C(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccccc1)CC3 79188468 XJTOINYROIXGNC-FDDCHVKYSA-N 403.482 3.281 0 40 HGAB biogenic COc1ccc([C@@H](CC(=O)O)NC(=O)CCCOCc2ccccc2)cc1OC 95424065 HNJZFSZTTFQUMW-GOSISDBHSA-N 401.459 3.333 0 40 HGAB O=C(Nc1cccnc1)[C@@H]1CCC2(CCN(C(=O)NCc3cccc(F)c3)CC2)O1 96087294 NYWVHOPNVNTROM-IBGZPJMESA-N 412.465 3.083 0 40 HGAB CC(C)n1cnc2c(N3CCCC3)nc(C3CCN(S(=O)(=O)C4CC4)CC3)cc21 96088291 FAQJNDUGRRQMOT-UHFFFAOYSA-N 417.579 3.284 0 40 HGAB COc1ccc(CN2C(=O)N[C@@H](CCC(=O)Nc3ccc4cc[nH]c4c3)C2=O)cc1 96221657 COAOKANJFAGZFX-SFHVURJKSA-N 406.442 3.016 0 40 HGAB biogenic O=C(NCCCn1ccnc1)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccco1)N2 100619422 KEOOPWCVXLHHMW-WFASDCNBSA-N 408.384 3.153 0 40 HGAB CC[C@H](C(=O)NCCOc1ccc(C)cc1)N(c1ccc(C)cc1)S(C)(=O)=O 219097975 MENWDMSMNXVVKQ-HXUWFJFHSA-N 404.532 3.043 0 40 HGAB O=C(NCc1nc(-c2ccc(Cl)cc2)no1)c1cccc(CN2CCOCC2)c1 219248587 WNLLDZGMJGXEBD-UHFFFAOYSA-N 412.877 3.152 0 40 HGAB CCOC(=O)c1cccc(NC(=O)[C@@H](C)N(c2ccc(CC)cc2)S(C)(=O)=O)c1 220285157 CBPCGSGFCYKAEK-OAHLLOKOSA-N 418.515 3.219 0 40 HGAB COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)CCc1ccccc1F 222620504 FANFKSAONJOMER-UHFFFAOYSA-N 406.479 3.190 0 40 HGAB CNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CSCc1ccc(C)cc1 222779739 VBMGOAFIWQIUMG-KRWDZBQOSA-N 400.544 3.400 0 40 HGAB CC(C)Sc1nnc(NC(=O)c2cccc(N3CCCCS3(=O)=O)c2)s1 223224823 YEHLBXIKWVPNEP-UHFFFAOYSA-N 412.562 3.221 0 40 HGAB Cc1cccc(OCCNC(=O)CN(c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)c1 224056002 MWXJJWPFUGTXOH-UHFFFAOYSA-N 418.559 3.254 0 40 HGAB CCOC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(NC(C)=O)cc1 224888806 JKGWMQVBMSJHPY-UHFFFAOYSA-N 404.488 3.020 0 40 HGAB CCOC(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1Cl 225421406 HBYRKMMCWXJYCY-UHFFFAOYSA-N 410.879 3.019 0 40 HGAB O=C(NCc1cccc2ccccc12)N[C@@H](CN1C(=O)COC1=O)c1ccccc1 225637983 UTKYTORFYKUBEK-FQEVSTJZSA-N 403.438 3.359 0 40 HGAB CN(c1ccc(OCC(=O)Nc2ccc(OC3CCCC3)cc2)cc1)S(C)(=O)=O 225686641 FUZBGHUKUYKBIP-UHFFFAOYSA-N 418.515 3.421 0 40 HGAB CCCNC(=S)Nc1nc(Sc2ncccn2)cc(N2CCC(C)CC2)n1 225885773 YAESKFGSCIUZCA-UHFFFAOYSA-N 403.581 3.351 0 40 HGAB COc1ccc(C(=O)N2CC[C@H](Oc3ccc(Cl)cc3)[C@@H](CC(N)=O)C2)cc1F 257241255 HXIHKZZLHKGHAU-KSSFIOAISA-N 420.868 3.273 0 40 HGAB CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N(C)c3ccccc3)C2)cc1C 260746283 RCCOCFIIAGWBJG-SFHVURJKSA-N 416.543 3.457 0 40 HGAB COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)C(=O)N[C@@H](C)CCc1ccccc1 408606908 MOKDYZQWKONWFS-GJZGRUSLSA-N 424.950 3.153 0 40 HGAB COc1ccc(OC)c(N(Cc2ccc(Br)cc2)S(C)(=O)=O)c1 408623157 DIQPLJKZPNSGFH-UHFFFAOYSA-N 400.294 3.433 0 40 HGAB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N1CCCCC1)C1CCCCC1 408636448 QGEACAQVTOYQPE-UHFFFAOYSA-N 408.564 3.340 0 40 HGAB COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC[C@H](C(=O)N2CCCCC2)C1 408701043 QKWMUMFFFDLCGU-SFHVURJKSA-N 408.564 3.232 0 40 HGAB COC(=O)CN1C(=O)/C(=C/c2ccccc2OCc2ccccc2Cl)NC1=S 409209932 HBTFNSBWILXZSM-YBEGLDIGSA-N 416.886 3.150 0 40 HGAB COCc1ccc(C(=O)N2CCc3ncc(-c4cccc5c4CN(C)C5)n3CC2)cc1 585111673 ZTDZGRQZIUNDSX-UHFFFAOYSA-N 416.525 3.340 0 40 HGAB C[C@]1(c2cccc(NC(=O)C3(c4cccc(C(F)(F)F)c4)CC3)c2)NC(=O)NC1=O 589319041 WNDJTVAWJJSQDV-LJQANCHMSA-N 417.387 3.430 0 40 HGAB CN1CCCCCN(C(=O)c2cc[nH]n2)[C@@H]2CCCC[C@@H]2Oc2ccccc2C1=O 643582647 DFXXAKTYVCLNIZ-CTNGQTDRSA-N 410.518 3.498 0 40 HGAB COc1ccccc1N1C[C@H](C(=O)Nc2cc(-c3cc(F)cc(F)c3)[nH]n2)CC1=O 1588135396 JVZFXNBTMHFMGT-CYBMUJFWSA-N 412.396 3.355 0 40 HGAB Cc1nc(C)c(C(=O)N2CCC[C@@H](COc3ncc(Br)cn3)C2)s1 1775967814 AMUQMQRYOQDJMB-GFCCVEGCSA-N 411.325 3.244 0 40 HGAB O=S(=O)(c1ccccc1F)N1CC[C@H](COc2cccc(C(F)(F)F)n2)C1 1889214344 IDXZJOQZAHBNOR-LBPRGKRZSA-N 404.385 3.329 0 40 HGAB COc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)cc1 791952 PGSSRCHJTLAOMY-AWEZNQCLSA-N 408.907 3.388 0 40 HGAB COc1ccc(CNC(=O)c2ccccc2C(=O)c2ccc3c(c2)NC(=O)CO3)cc1 1384195 HEYICIGIRSDQEM-UHFFFAOYSA-N 416.433 3.187 0 40 HGAB CCOc1ccc(/C=c2/sc3nc(-c4ccc(C)cc4)nn3c2=O)cc1OCC 2364158 ZZEMQIJLPMMGEW-CPNJWEJPSA-N 407.495 3.472 0 40 HGAB CCNC(=O)NC(=O)[C@@H](C)Sc1nnc(-c2cccs2)n1Cc1ccccc1 2640536 DJQZKHBHDKFJRN-CYBMUJFWSA-N 415.544 3.381 0 40 HGAB O=C(NC(=S)N1CCN(c2ncccn2)CC1)c1sc2ccccc2c1Cl 3312739 FTWWUNFPGUQFCF-UHFFFAOYSA-N 417.947 3.182 0 40 HGAB CCOc1ccc(CN(C)CC(=O)Nc2ccc(N3CCOCC3)cc2)cc1OC 3584260 ODQBYTRTGPYQDI-UHFFFAOYSA-N 413.518 3.001 0 40 HGAB CCC(=O)N1CCN(c2ccccc2NC(=O)COc2ccc(Cl)cc2)CC1 4412766 XOTVBFJVMIIXPA-UHFFFAOYSA-N 401.894 3.416 0 40 HGAB CCOc1ccc(NC(=O)CN2C(=O)N[C@](C)(c3ccccc3Cl)C2=O)cc1 4513133 TZPCYHDUKQGNFQ-HXUWFJFHSA-N 401.850 3.144 0 40 HGAB O=C(CSc1nc(C(F)(F)F)cc(=O)[nH]1)N1CCC(Cc2ccccc2)CC1 5155053 XLLZDVGRFQXLNK-UHFFFAOYSA-N 411.449 3.362 0 40 HGAB Cc1c(-c2ccccc2)oc2c(C(=O)OCC(=O)N3CCCC3=O)cccc2c1=O 5245634 ZDALCANMYVHWLX-UHFFFAOYSA-N 405.406 3.074 0 40 HGAB COc1ccccc1C(=O)OCc1nc2ccccc2[n+]([O-])c1C(=O)c1ccccc1 5296119 LHRMXHXPHRHYDS-UHFFFAOYSA-N 414.417 3.465 0 40 HGAB CC(=O)c1cccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3cccc(C)c3C)C2)c1 5933843 CKSUHZJERWEPRU-GOSISDBHSA-N 408.454 3.041 0 40 HGAB Cc1ccc(C)c(NC(=O)Cn2c(=O)n(Cc3ccco3)c(=O)c3sccc32)c1 6678772 WMKOGUUQHNYRQQ-UHFFFAOYSA-N 409.467 3.122 0 40 HGAB CCC[C@@H](C)NC(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccccc1 6944919 XEHNVVKTFXXIGS-MRXNPFEDSA-N 420.531 3.204 0 40 HGAB CCNc1nnc(SCC(=O)Nc2ccccc2C(=O)NCc2ccco2)s1 7249411 WXOCFBOTZYRXSF-UHFFFAOYSA-N 417.516 3.224 0 40 HGAB O=C(CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O)Nc1nc2ccccc2s1 7269332 GGGDJIZXDNPOQW-NRFANRHFSA-N 406.467 3.018 0 40 HGAB COc1cccc(C(=O)Nc2ccc(-n3c(C)nc4ncccc4c3=O)cc2)c1OC 7508475 CGFJRUDUOPDHEW-UHFFFAOYSA-N 416.437 3.359 0 40 HGAB NC(=O)c1c(NC(=O)COC(=O)C2(c3ccccc3)CCCC2)sc2c1CCC2 7512223 XCBRISONBVKVJY-UHFFFAOYSA-N 412.511 3.329 0 40 HGAB COc1ccc(C(=O)Nc2ccccc2SC)cc1S(=O)(=O)N1CCCC1 8476162 NIRKEWKJPSTEHQ-UHFFFAOYSA-N 406.529 3.454 0 40 HGAB CCS(=O)(=O)N1CCC(C(=O)N(Cc2ccccc2)Cc2ccccc2)CC1 8477139 BXEBHBPHRIQREJ-UHFFFAOYSA-N 400.544 3.277 0 40 HGAB Cc1cccc(N2C(=O)N(c3ccc(Br)cc3)[C@@H]3CS(=O)(=O)C[C@@H]32)c1 8828027 TWZHKRCPCGBKFS-SJORKVTESA-N 421.316 3.370 0 40 HGAB C[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)O[C@H](C)C(=O)N(C)c1ccccc1 8939989 AJCQROFNRZYFRX-FRBILKQBSA-N 412.530 3.302 0 40 HGAB CCN(c1ccc(OC)cc1)S(=O)(=O)c1nnc(NC(=O)C2CCCCC2)s1 9405047 UFQMUVMJVIRZQV-UHFFFAOYSA-N 424.548 3.281 0 40 HGAB COC(=O)C1=C(C(=O)c2ccc(F)cc2)[C@@H](c2ccc(C(C)C)cc2)n2nnnc2N1 10232061 IPEDJMLNMLHUDP-LJQANCHMSA-N 421.432 3.261 0 40 HGAB CCN(CC)C(=O)c1ccccc1NC(=O)c1cccc(NS(C)(=O)=O)c1C 10314593 RLRJCXNQEZDKGH-UHFFFAOYSA-N 403.504 3.101 0 40 HGAB COc1ccc(S(=O)(=O)NCc2cccc(C)c2)cc1C(=O)N1CCC(C)CC1 10448384 VNZIRVCJHXSZPJ-UHFFFAOYSA-N 416.543 3.354 0 40 HGAB Cc1c(-c2ccccc2)sc(NC(=O)Cn2ccnc2)c1C(=O)N1CCOCC1 10809797 AJXBUUMHVVSLBA-UHFFFAOYSA-N 410.499 3.031 0 40 HGAB CCN1CCC(NC(=O)[C@H](NC(=O)c2ccc(Cl)cc2Cl)C(C)C)CC1 11527060 DVIVTJHZVYXHKU-QGZVFWFLSA-N 400.350 3.348 0 40 HGAB CCc1nc2ccccc2n1CC(=O)N1CCC(n2c(=O)oc3ccccc32)CC1 12143331 GWCQHAPYJYWUHL-UHFFFAOYSA-N 404.470 3.370 0 40 HGAB O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)NC1(c2ccc(F)cc2)CCCC1 12155432 HQOVSXMDUKMUBF-LNLFQRSKSA-N 405.539 3.437 0 40 HGAB CCn1ncc(C(=O)N2CCC[C@@H](n3nnc4cc(C(F)(F)F)ccc43)C2)c1C 12184901 PEXYMKOTYLBSSX-CQSZACIVSA-N 406.412 3.452 0 40 HGAB O=C(Nc1cccc(C(F)(F)F)c1)c1cc(C2CC2)n([C@H]2CCS(=O)(=O)C2)n1 12229679 RARYEAJJXRAJCF-AWEZNQCLSA-N 413.421 3.391 0 40 HGAB CC(C)=C[C@H]1[C@H](C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)C1(C)C 12615484 SYRRSEUHUXUKCJ-XJKSGUPXSA-N 416.996 3.473 0 40 HGAB CN(CCCC(=O)N1CCCc2cccc(F)c21)S(=O)(=O)c1ccc(F)cc1 12754217 BUKUZMDVLHAHOE-UHFFFAOYSA-N 408.470 3.345 0 40 HGAB COc1ccc(C)cc1CN1CCN(C(=O)c2ccccc2N2CCCC2=O)CC1 12787801 MFSNUEQUHMJPTH-UHFFFAOYSA-N 407.514 3.088 0 40 HGAB CCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1ccc(N2CCCC2=O)cc1 13021771 ITDBZDZDCNGDLP-UHFFFAOYSA-N 401.413 3.192 0 40 HGAB CC(=O)Nc1ccc(NC(=O)CN2C(=O)[C@H](C)N(c3ccc(Cl)cc3)C2=O)cc1 14123128 ZUCXPEUUWBQFHV-LBPRGKRZSA-N 414.849 3.094 0 40 HGAB CC1CCN(Cc2csc(NC(=O)CNC(=O)c3ccc(Cl)cc3)n2)CC1 14527416 MWNMFNXCCCLGBJ-UHFFFAOYSA-N 406.939 3.397 0 40 HGAB CC(C)n1ncc2c(C(=O)Nc3ccn(C)n3)cc(-c3ccc4c(c3)OCCO4)nc21 14899714 CLJXFGXUKNLJFK-UHFFFAOYSA-N 418.457 3.436 0 40 HGAB C[C@@H]1CS(=O)(=O)N(c2ccc(C(=O)NCCCc3ccccc3)c(Cl)c2)C1=O 15858373 BRJRBWWGHKIADI-CQSZACIVSA-N 420.918 3.015 0 40 HGAB Cc1cc(N2CCCC2)nc(N2CCN(C(=O)c3c(F)cccc3Cl)CC2)n1 17012191 GMOCLBFBUXPXBJ-UHFFFAOYSA-N 403.889 3.140 0 40 HGAB Cc1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H]([C@H]1CCCN(C(=O)C[C@H]3CCCO3)C1)N2 19127681 PZBZPFUKEYBMTQ-XUWVNRHRSA-N 400.445 3.287 0 40 HGAB Cc1ccc(C(=O)N(C[C@@H]2CCCO2)c2nc3c(s2)CCc2c-3cnn2C)cn1 19214772 ZDCNDFCAVDUEKQ-HNNXBMFYSA-N 409.515 3.171 0 40 HGAB O=C(c1cc([C@@H]2CCCN(Cc3ccnc4ccccc34)C2)no1)N1CCC(O)CC1 19376075 ZJSFQQHANDRQFO-GOSISDBHSA-N 420.513 3.199 0 40 HGAB CNc1ncc(CN2CCC(c3cc(O)nc(-c4ccc(OC)cc4)n3)CC2)cn1 19592380 XXNHCHGSWPFDDC-UHFFFAOYSA-N 406.490 3.069 0 40 HGAB COCCOc1ccc(CN2CCC[C@H](c3nc(-c4ccncc4)cc(=O)[nH]3)C2)cc1 19593704 ARRQYKOVBXMAGQ-FQEVSTJZSA-N 420.513 3.237 0 40 HGAB Cc1nc(C)n(CC(=O)N2CCO[C@@H](c3ccc(-c4cccc(Cl)c4)cn3)C2)n1 19692520 AEKLBSPSJFTSAX-HXUWFJFHSA-N 411.893 3.210 0 40 HGAB O=C(NCCc1ccc2c(c1)OCCO2)[C@H]1CCN(c2ncccc2C(F)(F)F)C1 19748014 AGMPJEBEWHULKN-HNNXBMFYSA-N 421.419 3.057 0 40 HGAB CCN(CC(=O)N[C@@H]1CCCc2ccccc21)S(=O)(=O)c1cc(C)ccc1OC 20014782 BIKXXZNXJTVAJC-LJQANCHMSA-N 416.543 3.208 0 40 HGAB CCCNS(=O)(=O)c1ccc(OCC(=O)N[C@@H](C)c2ccc(SC)cc2)cc1 20019714 XEAYUNAZHPQRHW-HNNXBMFYSA-N 422.572 3.353 0 40 HGAB CC(C)C[C@@H](NC(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C)c1ccccc1 20035245 KDVNWEOZOKYNLB-LJQANCHMSA-N 421.538 3.342 0 40 HGAB CCOC(=O)c1ccccc1NC(=O)CN(c1ccc(Cl)cc1C)S(C)(=O)=O 22273559 JOQKMIQABRKUJC-UHFFFAOYSA-N 424.906 3.230 0 40 HGAB C[C@@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CN1CCN(C/C=C/c3ccccc3)CC1)C2=O 22912896 SCBRETFCOAJVSN-SMPGSKPCSA-N 424.589 3.412 0 40 HGAB COC(=O)c1ccc(NC(=O)Cc2cc(=O)[nH]c(SCc3ccccc3)n2)cc1 23137950 SIZHQJLUKKSOSP-UHFFFAOYSA-N 409.467 3.030 0 40 HGAB O=C(CNc1ccc(Br)cc1)NC(=O)Nc1ccc2c(c1)OCCCO2 23694390 FZNBOKTULDSJJW-UHFFFAOYSA-N 420.263 3.371 0 40 HGAB Cc1c(C(=O)Nc2nc(CN3C[C@@H](C)O[C@H](C)C3)cs2)[nH]c2c1C(=O)CCC2 25058894 DDYLCSVCFCBLQZ-VXGBXAGGSA-N 402.520 3.160 0 40 HGAB CCCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(Cl)cc2)c(Cl)s1 27584819 AWXQEXHHAQMFRP-UHFFFAOYSA-N 400.330 3.466 0 40 HGAB Cc1ccc(-c2noc(CCC(=O)N3CCC[C@H]3c3nnc4ccccn34)n2)cc1 29077192 WYHLUHHRSFDIJB-KRWDZBQOSA-N 402.458 3.384 0 40 HGAB O=C(CCN1C(=O)c2ccccc2S1(=O)=O)Nc1ccc(OC2CCCC2)cc1 31245541 VHJLPEOYCRUIPL-UHFFFAOYSA-N 414.483 3.181 0 40 HGAB O=C(Cn1nnc(-c2ccc(F)cc2)n1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 32719089 SDHFOIVSBSIQGY-GOSISDBHSA-N 423.448 3.004 0 40 HGAB Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H]1C(=O)Oc1cccc(Cl)c1Cl 32768127 WKSIJWNEZXTKHH-GFCCVEGCSA-N 419.286 3.357 0 40 HGAB O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)s1)N1CCc2ccccc2C1 32975426 LQTWBCSKSOHKDN-UHFFFAOYSA-N 404.557 3.050 0 40 HGAB CCc1ccc2[nH]c3nc(SCC(=O)NCc4cccc(OC)c4)nnc3c2c1 35292008 NQHVOCOFNFBGNB-UHFFFAOYSA-N 407.499 3.486 0 40 HGAB Cn1ccnc1C(=O)c1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3cccs3)C2)cc1 36395528 BYBTZGOOJFBDNO-MRXNPFEDSA-N 422.510 3.204 0 40 HGAB CCOc1ccc(NC(=O)CCn2c(=O)cc(C(F)(F)F)c3cn(C)nc32)cc1 36621550 HZKHBFBFWVBUNN-UHFFFAOYSA-N 408.380 3.181 0 40 HGAB Cc1cc(CN2CCN(CC(=O)Nc3ccc(Cl)cc3C(F)(F)F)CC2)no1 39519623 OEXQZGQSCQPNOQ-UHFFFAOYSA-N 416.831 3.412 0 40 HGAB CN1C(=O)c2ccccc2[C@H](C(=O)Nc2nccs2)[C@H]1c1ccc2c(c1)OCO2 40284059 AKDPOMNPYIUITJ-ZWKOTPCHSA-N 407.451 3.421 0 40 HGAB CCCNC(=O)C1CCN([C@@H](C)C(=O)Nc2ccc(Br)cc2F)CC1 42686652 SNWOTQRUTFOBHQ-LBPRGKRZSA-N 414.319 3.153 0 40 HGAB O=C(NC1CC1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CC1 55299440 GIYVZXZQEXSCHF-UHFFFAOYSA-N 410.845 3.038 0 40 HGAB CCOC(=O)c1ccccc1NC(=O)Cn1c(-c2ccc(F)cc2)nc(C)cc1=O 57477848 ULHJVXIURKBYPN-UHFFFAOYSA-N 409.417 3.173 0 40 HGAB CCCCN(CC)C(=O)Cn1c(=O)n(-c2ccc(F)c(C)c2)c(=O)c2sccc21 57494344 DOFGRJWAXLGALA-UHFFFAOYSA-N 417.506 3.310 0 40 HGAB CC[C@@H](C)n1c(SCC(=O)NCc2cccc(OC)c2)nc2cc(C)[nH]c2c1=O 67239065 KCKKOBXPXYMKHQ-CQSZACIVSA-N 414.531 3.421 0 40 HGAB Nc1ncc(-c2cccc(F)c2)c([C@@H]2CCCN(CC(=O)Nc3nccs3)C2)n1 72345966 AQOZMSLYMPJOBO-CQSZACIVSA-N 412.494 3.140 0 40 HGAB Cc1ccc(Cl)cc1NC(=O)/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1 89644248 NPMHBLOZHQQHIZ-WEVVVXLNSA-N 420.918 3.321 0 40 HGAB CC(C)Cn1cc(C(=O)Nc2ccc3ncn(C)c(=O)c3c2)c2ccccc2c1=O 95478167 CLTFRZDTQBTFFD-UHFFFAOYSA-N 402.454 3.157 0 40 HGAB CCCS(=O)(=O)N1CCC2(CC1)C[C@H](CC(=O)N1CCCC1)c1ccccc12 96242111 YUTQGHABRPFJNJ-SFHVURJKSA-N 404.576 3.260 0 40 HGAB CN(C)CCNC(=O)C[C@@H]1CC2(CCN(C(=O)c3ccco3)CC2)c2ccccc21 96242211 UNTNMVDYWZVLHU-GOSISDBHSA-N 409.530 3.009 0 40 HGAB COC(=O)C1=C(C(=O)OC)[C@H]2C[C@H]1[C@H]1[C@H]2ON(c2ccccc2)[C@@H]1c1ccccc1 103117226 NEDBHIHBGHFCBX-QFOSDGOKSA-N 405.450 3.457 0 40 HGAB O=C1[C@H]2CCC[C@H]1CC(C(=O)N1CCN(C(=O)c3cc(Cl)ccc3F)CC1)C2 103238356 ZANYPKOUJUDDJV-KBPBESRZSA-N 406.885 3.159 0 40 HGAB COc1cc(Br)c(/C=C2/NC(=S)N(Cc3ccco3)C2=O)cc1O 105328144 CSUVSLMWQDAGFE-LFYBBSHMSA-N 409.261 3.014 0 40 HGAB O=C(CCc1ccccc1Br)NC[C@@H]1C[C@H](O)CN1Cc1ccccc1 108141122 NFWBWQJZRLZGPZ-OALUTQOASA-N 417.347 3.133 0 40 HGAB COc1ccccc1CNC(=O)CCCN(c1cc(C)cc(C)c1)S(C)(=O)=O 113968611 BSVPRLUAFPYFJQ-UHFFFAOYSA-N 404.532 3.175 0 40 HGAB CCOC(=O)[C@]1(N)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(Cl)cc1 218535054 SUKOTUMNTYNMIY-XYJFISCASA-N 414.310 3.194 0 40 HGAB CC[C@H](C(=O)N[C@H](C)COc1ccc(C)cc1)N(c1ccc(F)cc1)S(C)(=O)=O 219116188 LPIZWTQWPZHVCB-OXQOHEQNSA-N 422.522 3.262 0 40 HGAB COc1ccc(CN(C)C(=O)[C@H](C)N(c2ccc(C)c(Cl)c2)S(C)(=O)=O)cc1 220350697 NFYPDOGIYORSHC-HNNXBMFYSA-N 424.950 3.470 0 40 HGAB COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)Nc1cccc(SC)c1 222712982 HLYVLXVNPMHYBI-UHFFFAOYSA-N 408.545 3.239 0 40 HGAB CC[C@H](C(=O)NCCOc1cccc(C)c1C)N(c1ccccc1F)S(C)(=O)=O 223955611 YOICLPFHPISHQJ-GOSISDBHSA-N 422.522 3.182 0 40 HGAB CCc1ccc(N(CCCC(=O)NCCOc2cccc(C)c2)S(C)(=O)=O)cc1 224746995 RHNCMJXLRGQZQZ-UHFFFAOYSA-N 418.559 3.299 0 40 HGAB COc1ccc([C@@H](CC(C)C)NC(=O)CN(Cc2ccccc2)S(C)(=O)=O)cc1 224917786 WJQJIHRDAMOAED-OAQYLSRUSA-N 418.559 3.360 0 40 HGAB CC(C)c1ccc(CCCNC(=O)[C@H](c2ccccc2)N(C)S(C)(=O)=O)cc1 225683229 YLFSHIXFOUCXFB-NRFANRHFSA-N 402.560 3.492 0 40 HGAB O=C(c1ccc(-n2cccc2)cc1)N1CCN(c2cc(C(F)(F)F)ncn2)CC1 225727312 LFGKMYFFSFPXMH-UHFFFAOYSA-N 401.392 3.249 0 40 HGAB CSc1ccc(CCC(=O)N2CCC(Oc3cc(C)n(C)c(=O)c3)CC2)cc1 238840497 HTEVTAOQFYJQAP-UHFFFAOYSA-N 400.544 3.418 0 40 HGAB CNC(=O)c1sc2ncccc2c1[C@H]1CC[C@H](CNC(=O)c2cnc(C)cn2)CC1 257281331 OORPZFDUXDYVEA-SHTZXODSSA-N 423.542 3.458 0 40 HGAB Cc1nc2c(n1CC1CC1)CN(Cc1ccco1)CC21CCN(C(=O)N(C)C)CC1 306126466 DWTIIQTXOSXJLR-UHFFFAOYSA-N 411.550 3.226 0 40 HGAB CC(C)N1CC2(CCN(Cc3cccnc3)CC2)COc2ccccc2S1(=O)=O 306131767 KPGQNJHHZQNHQH-UHFFFAOYSA-N 415.559 3.156 0 40 HGAB Cc1cc(S(=O)(=O)NCC(C)C)ccc1OCC(=O)Nc1ccc(F)cc1F 409375207 HEFCRRUHNHWZGI-UHFFFAOYSA-N 412.458 3.225 0 40 HGAB Cc1ccc(NC(=O)COc2ccc(S(=O)(=O)N3CCCC3)cc2C)c(C)c1 409389368 HJUCMEQMSKUFFT-UHFFFAOYSA-N 402.516 3.414 0 40 HGAB O=C1CNC(=O)c2ccc(C(=O)N3C[C@H](c4ccccc4)[C@H]4CCCC[C@H]43)cc2N1 501393560 BJIDSJNYSWLHIG-YFVAEKQCSA-N 403.482 3.167 0 40 HGAB Cc1ccc(CN2C[C@H](C(=O)NCc3ccc(Br)cc3)CC2=O)cc1 518576871 CFHSBEZAMJVTCD-QGZVFWFLSA-N 401.304 3.422 0 40 HGAB O=C(Nc1cccc(-c2nc(O)n[nH]2)c1)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2 560719144 PNAWKXMMQKNSNC-UHFFFAOYSA-N 422.395 3.382 0 40 HGAB COc1ncc(CN2C[C@@H](C(=O)NCCC(C)(C)C)C3(CCOCC3)C2)cc1C 585102024 ZJHQRRMWNKYANA-IBGZPJMESA-N 403.567 3.180 0 40 HGAB O=C(NC[C@H]1OCCc2cn(Cc3ccccc3)nc21)N1CCc2ccccc2C1 585111662 DYXXRJKOOGRHDM-JOCHJYFZSA-N 402.498 3.313 0 40 HGAB CC(C)[C@H](NS(=O)(=O)c1ccccc1F)C(=O)Nc1cnc2c(c1)CCCC2 679916579 RGCUTPBVEISJKT-IBGZPJMESA-N 405.495 3.041 0 40 HGAB CCn1ncc(C(=O)Nc2cc(NC(=O)CN3CCCC[C@H]3C)ccc2F)c1C 1542090560 GKRURMWDSGHKTM-CQSZACIVSA-N 401.486 3.416 0 40 HGAB CCO[C@@H]1CN(Cc2ccccc2)C(=O)[C@@]2(CCCN(C(=O)c3cc(C)no3)C2)C1 2037873589 YRPNFEKHIMUIAY-CVDCTZTESA-N 411.502 3.043 0 40 HGAB Cc1ccc(OCC2(O)CCN(CC(=O)Nc3nnc(C(C)C)s3)CC2)cc1C 2037916170 SJNYDEIMDFBNFG-UHFFFAOYSA-N 418.563 3.123 0 40 HGAB COc1ccc(NS(=O)(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1 828352 IIUCJTDKJBIMTP-UHFFFAOYSA-N 408.435 3.297 0 40 HGAB CC[C@H]1CCCCN1S(=O)(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 921107 XTSNVLGKOAHGHB-KRWDZBQOSA-N 414.593 3.205 0 40 HGAB Cc1ccc2c(COC(=O)[C@H](C(C)C)N3C(=O)c4ccccc4C3=O)cc(=O)oc2c1 2661692 FEGBLYHIRCCXMH-NRFANRHFSA-N 419.433 3.465 0 40 HGAB CCOc1ccc(NS(=O)(=O)c2cc(N)ccc2OC)cc1Br 3885628 YJQRIOMALFYHQI-UHFFFAOYSA-N 401.282 3.239 0 40 HGAB Cc1oc2c(C)c3oc(=O)c(CC(=O)NCCCN4CCCC4=O)c(C)c3cc2c1C 4085595 XSJUABNACMFCNX-UHFFFAOYSA-N 424.497 3.444 0 40 HGAB biogenic Cc1cc(C)c2[nH]c(=O)c(CN(CCCO)C(=S)NCc3ccccc3)cc2c1 4132719 GCQPQSIPPKINMT-UHFFFAOYSA-N 409.555 3.404 0 40 HGAB CCc1ccc(OCC(=O)N(Cc2cccc(Cl)c2)[C@H]2CCS(=O)(=O)C2)cc1 4183122 RYPKSDYBSUXDBB-IBGZPJMESA-N 421.946 3.497 0 40 HGAB CCOC(=O)CN1C(=O)S/C(=C/c2ccc(OC)c(Br)c2)C1=O 4616874 WQPWPVYVZAJWHI-KPKJPENVSA-N 400.250 3.057 0 40 HGAB COc1cc(NC(=O)CCN(C)CCc2ccc(OC)c(OC)c2)cc(OC)c1 4777360 MEPNMLPHXXQASV-UHFFFAOYSA-N 402.491 3.224 0 40 HGAB COc1ccccc1/C=C/C(=O)OCC(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 5261980 GDVMZGHDLFIXKS-VOTSOKGWSA-N 412.486 3.046 0 40 HGAB COc1ccc(OC)c(S(=O)(=O)Nc2ccc(C)c(N3CCCCC3=O)c2)c1 5330113 CBRUKFYYFASUPY-UHFFFAOYSA-N 404.488 3.330 0 40 HGAB C[C@H]1CCc2c(sc3ncn4nc(CN5C(=O)c6ccccc6C5=O)nc4c23)C1 5350457 QGSQWGWLEHRSFE-NSHDSACASA-N 403.467 3.260 0 40 HGAB CCCCOC(=O)c1ccc(NC(=O)COC(=O)c2cc(OC)cc(OC)c2)cc1 5538468 TXJUNPUFLOVYEN-UHFFFAOYSA-N 415.442 3.456 0 40 HGAB O=C(NCC12CC3CC(CC(C3)C1)C2)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 5612391 TYVUMLFAVCYRHK-JNYXMARXSA-N 410.514 3.143 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 5680941 TVDIAALCQPPHAE-UHFFFAOYSA-N 402.925 3.171 0 40 HGAB Cc1cc2cc3c(cc2nc1SCC(=O)NCc1ccc2c(c1)OCO2)OCCO3 6195082 IKPDMCMFSSOJEB-UHFFFAOYSA-N 424.478 3.452 0 40 HGAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)OC(=O)c1cccc(S(=O)(=O)N(C)C)c1 6384672 MDPCRRWOMNTUOU-AWEZNQCLSA-N 414.483 3.155 0 40 HGAB CCCCCNC(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccccc1 6596903 YUMMERUKDZDQRQ-UHFFFAOYSA-N 420.531 3.206 0 40 HGAB C[C@H]1Cc2cc(C(=O)CSc3ccc4c(c3)OCCO4)ccc2N1S(C)(=O)=O 7439252 WBWXTEFUXDVTDK-ZDUSSCGKSA-N 419.524 3.143 0 40 HGAB O=C(Nc1ccc(Cl)c(Cl)c1)c1cccc(S(=O)(=O)N2CCOCC2)c1 7651681 UCZGGEZQKXZGAY-UHFFFAOYSA-N 415.298 3.267 0 40 HGAB CCOc1ccccc1NC(=O)COC(=O)c1ccc(NC(=O)C(F)(F)F)cc1 7940020 HTZQPLMQAXOENO-UHFFFAOYSA-N 410.348 3.382 0 40 HGAB COc1cccc(N2C[C@H](C(=O)OCC(=O)Nc3cccc(Cl)c3C)CC2=O)c1 7940146 GGRBGROWDBRKRS-CQSZACIVSA-N 416.861 3.192 0 40 HGAB CCOCCCNC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1 8725725 MIYOZTPCTIMCPV-UHFFFAOYSA-N 402.925 3.359 0 40 HGAB O=C(COc1ccc(-n2cnnn2)cc1)N1CCC[C@@H](c2nc3ccccc3s2)C1 9377161 RZMXGZFAZIMWNA-OAHLLOKOSA-N 420.498 3.057 0 40 HGAB Cc1c(C(=O)CN2C(=O)N[C@](C)(c3ccc4c(c3)OCO4)C2=O)oc2ccccc12 9494118 QAHFQLKMOLEXBO-JOCHJYFZSA-N 406.394 3.120 0 40 HGAB Cc1c(C(=O)N2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)oc2ccccc12 9501999 XWHSQGTWINLXPZ-UHFFFAOYSA-N 416.474 3.417 0 40 HGAB CCOc1ccc(N([C@@H](C)C(=O)NCCCc2ccc(C)cc2)S(C)(=O)=O)cc1 10110462 ALOPPKHYTAAVEZ-SFHVURJKSA-N 418.559 3.297 0 40 HGAB O=C(CCCC[C@H]1SC[C@H]2NC(=O)N[C@@H]21)NC1(c2ccc(F)cc2)CCCC1 12155445 HQOVSXMDUKMUBF-LMMKCTJWSA-N 405.539 3.437 0 40 HGAB CCn1c(=O)oc2cc(S(=O)(=O)NCC3(c4ccccc4)CCCC3)ccc21 12239282 YFKHPWVTANNKEJ-UHFFFAOYSA-N 400.500 3.405 0 40 HGAB CN(Cc1ccccc1N1CCCCC1)C(=O)CCn1ncc(=O)c2ccccc21 12517365 XVBGDALJAYXOGK-UHFFFAOYSA-N 404.514 3.436 0 40 HGAB C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)c3cc4c(s3)CCCCC4)CC2)C1 12595343 IAQMLIYFVKMBKO-QZTJIDSGSA-N 417.619 3.279 0 40 HGAB COc1cc(NS(=O)(=O)c2ccc(F)c(F)c2F)ccc1N1CCCC1=O 12651513 NBWUPTQQBSXIPZ-UHFFFAOYSA-N 400.378 3.040 0 40 HGAB C[C@@]1(C(=O)N2CCN(CC(=O)Nc3ccccc3Cl)CC2)CC1(Cl)Cl 12759548 PFUFCEXEJDAUNK-INIZCTEOSA-N 404.725 3.007 0 40 HGAB CCOc1cc(C(=O)N(C)Cc2nc3ccsc3c(=O)[nH]2)ccc1OC(F)F 12765577 LGVRXRBVIUCXMU-UHFFFAOYSA-N 409.414 3.257 0 40 HGAB COCCOc1ccc(C(F)(F)F)cc1NC(=O)CCNC(=O)c1ccccc1 12773806 RDFRNQPQZRXPQU-UHFFFAOYSA-N 410.392 3.489 0 40 HGAB Cc1ccc(C(=O)N2CCN(c3ccc(-n4nc(C)c(C)c4C)nn3)CC2)cc1C 13008949 QHIBWJDLQXLYNI-UHFFFAOYSA-N 404.518 3.167 0 40 HGAB CCCCOC(=O)c1ccc(NS(=O)(=O)c2ccc(CCC(=O)O)cc2)cc1 13078471 DNVMOTZBOHNHNY-UHFFFAOYSA-N 405.472 3.462 0 40 HGAB COC(=O)[C@](NC(=O)c1ccccc1Cl)(Nc1ccc(C)cn1)C(F)(F)F 13598282 YELBXUAHOLTVKH-MRXNPFEDSA-N 401.772 3.317 0 40 HGAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCCN3CCCCC3)cc2)cc1 13675848 FKIMFEJTJCNKOD-UHFFFAOYSA-N 415.559 3.402 0 40 HGAB CC[C@@H](C)NC(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1 13678519 VQSFIQRGSIHYDW-GFCCVEGCSA-N 407.363 3.450 0 40 HGAB COCCNc1oc(-c2cccs2)nc1S(=O)(=O)c1ccc2c(c1)OCCO2 13686390 BXYWNJMUOSFCGY-UHFFFAOYSA-N 422.484 3.065 0 40 HGAB O=C(CCNC(=O)C12CC3CC(CC(C3)C1)C2)Nc1cccc(C(=O)NC2CC2)c1 14184722 DJTLVKNDLCKOKX-UHFFFAOYSA-N 409.530 3.240 0 40 HGAB CS(=O)(=O)c1ccc(Nc2nc(CC(=O)NCCc3ccccc3)cs2)cc1 16850387 DLTDDEAZLYZFOC-UHFFFAOYSA-N 415.540 3.192 0 40 HGAB CN(C)C(=O)[C@@H](OC(=O)Cc1csc(NC(=O)c2ccccc2)n1)c1ccccc1 17748543 VSBKLGKZCRJLGX-IBGZPJMESA-N 423.494 3.311 0 40 HGAB CC(C)(C)C(=O)N1CCC[C@H]1c1nc(O)c2c(n1)CCN(C(=O)c1cccs1)C2 19081371 JMIFXMFRIKQKHL-HNNXBMFYSA-N 414.531 3.152 0 40 HGAB Cc1nc(C)n(C[C@H](C)C(=O)N[C@H](Cc2ccccc2)c2ccc3c(c2)OCCO3)n1 19285903 CTPZMWAFHZSNHL-HRAATJIYSA-N 420.513 3.402 0 40 HGAB COc1cccc([C@@H](NS(=O)(=O)c2cc(C)c(C)cc2OC)c2nccn2C)c1 19566985 FRUIDQYJOXSQMF-HXUWFJFHSA-N 415.515 3.122 0 40 HGAB COc1ccc(-c2[nH]ncc2CNC(=O)[C@@]2(C)CC(c3ccccc3F)=NO2)cc1 19660991 URRYIQVRFARQQK-JOCHJYFZSA-N 408.433 3.424 0 40 HGAB Cn1cc(C(=O)NCc2ccccn2)c(CC2CCN(C(=O)C3CCCCC3)CC2)n1 19758540 ZAWLBNMLYBMXTF-UHFFFAOYSA-N 423.561 3.107 0 40 HGAB CCCOC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1cc(Br)ccc1OCC 20069185 JUTSCOCMTMIUNI-OAHLLOKOSA-N 422.283 3.076 0 40 HGAB COc1ccc([C@@H](c2nnnn2C(C)(C)C)N2CCN(C3CCCCC3)CC2)cc1 20139451 XNEKYYQVXBJZIX-NRFANRHFSA-N 412.582 3.476 0 40 HGAB Cc1ccc(CSCCNC(=O)CN(c2ccccc2C)S(C)(=O)=O)cc1 20236599 GILHUTVPAOXHCL-UHFFFAOYSA-N 406.573 3.119 0 40 HGAB COc1ccc([C@@H](C)NC(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)cc1 20493524 NYKSNXXKLSWBTD-MRXNPFEDSA-N 404.532 3.462 0 40 HGAB COc1ccccc1NS(=O)(=O)c1ccc(C(=O)NCc2nc(C)cs2)cc1 21482819 NHDCDYZMWQVLJK-UHFFFAOYSA-N 417.512 3.191 0 40 HGAB CCOc1cccc([C@@H]2c3c(-c4cc(C)ccc4O)n[nH]c3C(=O)N2CCCO)c1 21782758 JELGBJQFNWPHEH-JOCHJYFZSA-N 407.470 3.417 0 40 HGAB O=C(Cn1nc(C2CC2)c2cnn(-c3ccccc3)c2c1=O)Nc1ccccc1F 22767872 WHQJUTBVLTZQOX-UHFFFAOYSA-N 403.417 3.237 0 40 HGAB O=C(NCCc1ccccc1)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1 24608387 LWVOPEGISRXMTF-UHFFFAOYSA-N 420.962 3.241 0 40 HGAB O=C(Nc1ccncc1)C1CCN(C(=O)CCc2nc(-c3ccc(F)cc3)no2)CC1 24702603 GRWJHXRRGBTMPP-UHFFFAOYSA-N 423.448 3.081 0 40 HGAB COC(=O)c1ccc(NC(=O)CSc2nnc(/C=C/c3ccccc3)c(O)n2)cc1 27300442 IWXXHMJIWZKFCD-KPKJPENVSA-N 422.466 3.265 0 40 HGAB CC(=O)Nc1ccc2[nH]cc([C@@H](C(=O)O)N3CCN(Cc4cccs4)CC3)c2c1 32095143 LGSZVSYYZGKEPP-FQEVSTJZSA-N 412.515 3.131 0 40 HGAB CN(C(=O)COC(=O)CCCn1c(=O)oc2ccccc21)[C@H]1CCCc2ccccc21 32568701 YAWAZHUMJIFOOE-IBGZPJMESA-N 422.481 3.454 0 40 HGAB COc1ccc([C@@H](CNC(=O)c2csc3c2CCCC3)N2CCOCC2)cc1 32667763 VTBQNGNEJXQKIN-HXUWFJFHSA-N 400.544 3.439 0 40 HGAB C[C@@H](NC(=O)CN1C[C@@H](C(=O)N2CCCCC2)Oc2ccccc21)c1cccs1 32764673 PLGYUYOEOSKLCC-APWZRJJASA-N 413.543 3.205 0 40 HGAB COc1cc(C)c(NC(=O)C2CCN(C(=O)OCC(F)(F)F)CC2)cc1OC 32869116 RTGWKMZWYJJITJ-UHFFFAOYSA-N 404.385 3.362 0 40 HGAB O=C(CSc1nc2ccccc2s1)NC1CCN(C(=O)c2ccoc2)CC1 32908289 UZZIZLLDSBNXMC-UHFFFAOYSA-N 401.513 3.402 0 40 HGAB CN(Cc1nc2ccccc2n1C(F)F)C(=O)c1cccc(NS(C)(=O)=O)c1 36391797 LFUVDUAGFHZMAI-UHFFFAOYSA-N 408.430 3.075 0 40 HGAB CS(=O)(=O)Nc1cccc(NC(=O)CSc2ccc(C(F)(F)F)cn2)c1 40087916 TXXOUTRWLNHUFX-UHFFFAOYSA-N 405.423 3.203 0 40 HGAB Cc1cc(=O)c(C(=O)NCCCCN2C[C@H](C)C[C@@H](C)C2)nn1-c1ccccc1F 40108509 VHLLERWNNFLWKQ-IAGOWNOFSA-N 414.525 3.168 0 40 HGAB CC[C@H]1CCCCN1c1nc2c(c(=O)[nH]1)[C@@H](C(=O)Nc1ccc(C)c(C)c1)CC(=O)N2 40390578 YTAPRQJTJUGENL-IRXDYDNUSA-N 423.517 3.220 0 40 HGAB CCCc1noc(-c2cc(S(=O)(=O)NCc3ccc(C)cc3)ccc2OC)n1 46020232 LKVYMDJSEXPCJM-UHFFFAOYSA-N 401.488 3.485 0 40 HGAB Cn1c(Cc2cccs2)nnc1S(=O)(=O)Cc1ncc(-c2ccccc2)o1 48365640 XWNPFROVQDIOMN-UHFFFAOYSA-N 400.485 3.096 0 40 HGAB O=C(c1cnn(-c2ccccc2)n1)N1CCC(c2nnc(-c3ccco3)s2)CC1 49362960 WPHCQVOLXMZORY-UHFFFAOYSA-N 406.471 3.399 0 40 HGAB C[C@@H](C(=O)NCC(F)(F)F)N(c1ccccc1)S(=O)(=O)c1cccc(F)c1 49580981 IYJNOFFBSQSYIF-LBPRGKRZSA-N 404.385 3.088 0 40 HGAB CC(C)c1ccccc1OCCNC(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O 59471982 VBACIERTHKUDBF-UHFFFAOYSA-N 424.950 3.425 0 40 HGAB O=S(=O)(c1ccc2c(c1)OCCO2)N(CCc1ccccc1)Cc1ccccn1 62017959 CZCUTUGEPAXUFR-UHFFFAOYSA-N 410.495 3.286 0 40 HGAB COc1cc(NC(=O)c2cc3c([nH]c2=O)C[C@@H](c2ccco2)CC3=O)cc(OC)c1 64775550 KZKOWGNCQBNINM-GFCCVEGCSA-N 408.410 3.150 0 40 HGAB COC(=O)c1cc(OCC(=O)NCc2ccc(Cl)cc2)c2cc(OC)ccc2n1 65033223 LZZKGVILHLQSBY-UHFFFAOYSA-N 414.845 3.379 0 40 HGAB C[C@H](c1ccccn1)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 72273190 PZRQYUSZGUDKMA-CYBMUJFWSA-N 400.331 3.456 0 40 HGAB Cc1ncc(C(=O)N2CC[C@H](c3cc(CCOc4ccc(F)cc4)[nH]n3)C2)c(C)n1 72371653 OQLILDVBRQDFHY-INIZCTEOSA-N 409.465 3.207 0 40 HGAB CCCCN(C)C(=O)c1ncn2c(C3CCN(Cc4ccncc4)CC3)ccnc12 96155745 HADJJFLXNDILKM-UHFFFAOYSA-N 406.534 3.376 0 40 HGAB O=C1[C@H]2CCCC[C@@H]2C(=O)N1CCC(=O)N1CCCC[C@@H]1c1nc2ccccc2[nH]1 100165444 PUOHVUQNAOYZDQ-TXPKVOOTSA-N 408.502 3.182 0 40 HGAB Cc1c(Cl)cccc1N1CCN(S(=O)(=O)C[C@]23CC[C@@H](CC2=O)C3(C)C)CC1 100194159 VEJWGLJWBOKRQS-HRAATJIYSA-N 424.994 3.496 0 40 HGAB Cn1c(=O)c(C(=O)Nc2ccc(I)cc2)c(O)c2ccccc21 100498492 VMRTZMXLRGRFRF-UHFFFAOYSA-N 420.206 3.101 0 40 HGAB O=C(CCCC(=O)N1CCN(c2cccc(Cl)c2)CC1)NC[C@@H]1C[C@H]2C=C[C@H]1C2 101371905 CINBZKSZUDJVRV-FHWLQOOXSA-N 415.965 3.487 0 40 HGAB O=C1[C@@H]2CC=CC[C@H]2C(=O)N1C1=NN2C(=NC(c3ccccc3)=C[C@@H]2c2ccccc2)N1 105816094 IFOKZLWYWCEGLR-SFHLNBCPSA-N 423.476 3.266 0 40 HGAB CN1C(=O)/C(=C/c2cn(CC(=O)N3CCCCCC3)c3ccccc23)N(C)C1=S 111671969 DZZZZKROXGOWPT-UYRXBGFRSA-N 410.543 3.074 0 40 HGAB C[C@](O)(CNS(=O)(=O)c1ccccc1Br)c1cc2ccccc2o1 217999155 MLAUTPMTLXDUEP-KRWDZBQOSA-N 410.289 3.381 0 40 HGAB CCc1ccc(N([C@H](C)C(=O)NCCCN(C)c2ccccc2)S(C)(=O)=O)cc1 220292651 AWGUVYLWVPWOHQ-GOSISDBHSA-N 417.575 3.046 0 40 HGAB CCc1ccccc1NC(=O)c1cnc(CN(C)S(=O)(=O)c2ccc(C)cc2)nc1 223382134 ILPWNHZIAUBZBN-UHFFFAOYSA-N 424.526 3.420 0 40 HGAB Cc1cc(Cl)ccc1N(CC(=O)NCCOc1cccc(C)c1C)S(C)(=O)=O 223911527 NEJPVXOSAXHHSB-UHFFFAOYSA-N 424.950 3.226 0 40 HGAB CCCc1ccc(OCCNC(=O)c2cc(NS(C)(=O)=O)ccc2Cl)cc1 224397753 ZMKYFXLCQCBIRU-UHFFFAOYSA-N 410.923 3.473 0 40 HGAB C[C@H](C(=O)Nc1nnc(-c2ccccc2)s1)N(c1cccc(F)c1)S(C)(=O)=O 225062731 OVIWTJNHYGJRBD-GFCCVEGCSA-N 420.491 3.137 0 40 HGAB CC(C)[C@@H](C)NC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)c2cc(Cl)ccc2O1 225219092 KWPUXGMIJJFHLE-KUHUBIRLSA-N 422.934 3.457 0 40 HGAB Cc1ccc(Cl)cc1N1CCN(C(=O)Cn2ccc(=O)c3cc(F)ccc32)CC1 225752109 MFFJAKFSWCIRLT-UHFFFAOYSA-N 413.880 3.451 0 40 HGAB COc1ccc(NC(=O)C2(NS(=O)(=O)Cc3ccc(Cl)cc3F)CC2)cc1 225928411 XWMWMNVYDFVXTB-UHFFFAOYSA-N 412.870 3.078 0 40 HGAB COCCOc1cc(CN2C[C@@H]3[C@@H](CC[C@]3(O)c3ncccc3C)C2)ccc1OC 247887778 DZLJSQKFHYZXBA-DCLXLUIPSA-N 412.530 3.153 0 40 HGAB COc1cc(NC(=O)CN(c2ccc(C)cc2)S(C)(=O)=O)c(OC)cc1Cl 408622843 WINVFOAJMQYQNT-UHFFFAOYSA-N 412.895 3.070 0 40 HGAB O=C(CCc1ccc(S(=O)(=O)NCc2ccccc2)cc1)NCCc1ccccc1 409246607 JLSMITDTPPRKNO-UHFFFAOYSA-N 422.550 3.457 0 40 HGAB O=C1CC[C@@]2(C(=O)NC[C@H](c3ccccc3)c3c[nH]c4ccccc34)SCCN12 515008971 ZZELDPIFIBAFKD-JPYJTQIMSA-N 405.523 3.482 0 40 HGAB COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)c1ccc3nn[nH]c3n1)CC2 544376199 XUGRFCUWMRFGCO-NRFANRHFSA-N 415.453 3.158 0 40 HGAB CN(C)[C@H](CNS(=O)(=O)c1ccc2c(c1)OCCO2)c1csc2ccccc12 575621745 SKIXOLHXJKPGJV-QGZVFWFLSA-N 418.540 3.254 0 40 HGAB CN1CCOc2ccccc2CCCCC2(CCN(C(=O)c3cncnc3)CC2)C1 643579716 IBTFVQPQXKQLPC-UHFFFAOYSA-N 408.546 3.436 0 40 HGAB COc1ccccc1N(CN1C(=O)c2ccc(Br)cc2C1=O)C(C)=O 710833 HATIMRLEQRXSFJ-UHFFFAOYSA-N 403.232 3.064 0 40 HGAB CCOC(=O)c1ccc(NCN2C(=O)c3ccc(Br)cc3C2=O)cc1 778005 VJGFBFFESPLHFN-UHFFFAOYSA-N 403.232 3.291 0 40 HGAB Cc1ccccc1OCC(=O)Nn1c(COc2ccccc2)nc2ccccc2c1=O 2227202 YRMKDBUZDJVXRN-UHFFFAOYSA-N 415.449 3.433 0 40 HGAB COCCn1c(SCc2cccc(F)c2)nc2cc(C(=O)OC)ccc2c1=O 3052107 KEXUAJVULTXWMO-UHFFFAOYSA-N 402.447 3.261 0 40 HGAB Cn1c(=O)c2c(SCc3ccc(F)cc3)nc(CC(C)(C)C)nc2n(C)c1=O 4139040 BOPPSTTUWLMQGZ-UHFFFAOYSA-N 402.495 3.047 0 40 HGAB Cc1csc(NC(=O)CSc2nnc(NC(=O)Cc3ccccc3)s2)n1 4328535 CHUOLPHBHNMAQU-UHFFFAOYSA-N 405.530 3.215 0 40 HGAB O=C1CN(C(=O)CSc2nnc(-c3cccs3)n2C2CC2)c2ccccc2N1 5358903 OILALBLCFFEDJR-UHFFFAOYSA-N 411.512 3.419 0 40 HGAB COC(=O)c1ccc(NC(=O)Cn2nc(-c3cccc4ccccc34)ccc2=O)cc1 5399755 CRQBPYVLLPSESJ-UHFFFAOYSA-N 413.433 3.489 0 40 HGAB Cc1cc(NC(=O)C(=O)O)n(-c2nc3ccccc3n2Cc2ccccc2Cl)n1 6315024 FTOOGDILKDAQAZ-UHFFFAOYSA-N 409.833 3.255 0 40 HGAB CCn1c(CC(=O)Nc2ccccc2)nnc1SCC(=O)N[C@@H](C)c1ccccc1 6356556 YXNAGCIQFWBDBT-INIZCTEOSA-N 423.542 3.449 0 40 HGAB Cc1ccc(CN(C(=O)c2ccccc2Br)[C@@H]2CCS(=O)(=O)C2)o1 6810282 XHDINIRDYCVNMN-CYBMUJFWSA-N 412.305 3.180 0 40 HGAB Cc1ccc(NC(=O)c2ccc3c(c2)OCO3)cc1S(=O)(=O)N1CCCCC1 7059958 KTBUSLNQMJRBBR-UHFFFAOYSA-N 402.472 3.151 0 40 HGAB COCCn1c(SCc2nc(-c3cccs3)no2)nc2ccccc2c1=O 7161165 HYOKEESQMIYVCX-UHFFFAOYSA-N 400.485 3.447 0 40 HGAB O=C(COC(=O)CCn1c(=O)oc2ccccc21)Nc1ccc(N2CCCCC2)cc1 7226793 FUBNKJLSLWPJJO-UHFFFAOYSA-N 423.469 3.157 0 40 HGAB CCC(=O)N(c1nnc(SCC(=O)c2ccc3c(c2)[C@H](C)C(=O)N3)s1)C1CC1 7310758 YNYPTKVXTSYLFQ-JTQLQIEISA-N 416.528 3.474 0 40 HGAB CCOC(=O)c1oc2ccccc2c1COC(=O)c1nn(C)c(=O)c2ccccc12 7427027 NNTRNVDBEAFWPC-UHFFFAOYSA-N 406.394 3.213 0 40 HGAB O=C(NCc1ccc(N2CCCC2=O)cc1)C1CCN(C(=O)c2cccs2)CC1 7491639 UGKLIEDBXPLIHZ-UHFFFAOYSA-N 411.527 3.044 0 40 HGAB COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)O[C@@H]2CCCCC2=O)cc1 7793679 HXHBHMOGGOPDJI-HXUWFJFHSA-N 417.483 3.189 0 40 HGAB COC(=O)c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)cc1 8092296 SIVZVKOEWWBYJR-CXUHLZMHSA-N 414.414 3.287 0 40 HGAB COc1ccc(Br)cc1CN(C)CC(=O)NC(=O)Nc1ccccc1F 8724875 CGZQDQMVLNJIBE-UHFFFAOYSA-N 424.270 3.377 0 40 HGAB O=C1N=C(O)/C(=C2\C[C@H](c3c[nH]c4ccccc34)NN2)C(=O)N1c1ccc(F)cc1 8770511 BJHHAILVZSQEOI-OTZFSBHDSA-N 405.389 3.223 0 40 HGAB O=C(c1ccco1)N1CCc2ccc(NS(=O)(=O)c3cccc(F)c3)cc2C1 8977184 YEVWVKRREGGPEP-UHFFFAOYSA-N 400.431 3.418 0 40 HGAB C[C@@H](CCc1ccccc1)NC(=O)CCCNC(=O)N1CC(=O)Nc2ccccc21 9134927 IMPZBLRPVGYFTQ-KRWDZBQOSA-N 408.502 3.072 0 40 HGAB CCOc1ccccc1-c1noc(CN(Cc2ccccc2)S(=O)(=O)CC)n1 9303726 HGRGTFFOOJACQG-UHFFFAOYSA-N 401.488 3.487 0 40 HGAB O=C(Cc1csc(NS(=O)(=O)c2ccc(Cl)cc2)n1)Nc1nccs1 9818884 XXNRTPISIWQIHG-UHFFFAOYSA-N 414.921 3.235 0 40 HGAB CN(C)CCNC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 10111685 UEQKSDKDRRRMDM-OAQYLSRUSA-N 417.962 3.406 0 40 HGAB COc1ccc(-c2nnc(O)c3c2[C@@H](c2ccc(Cl)cc2)n2nnnc2N3)cc1 10295290 ABUODSKRJGHYOH-QGZVFWFLSA-N 407.821 3.192 0 40 HGAB CCOc1ccc(-c2nnc(O)c3c2[C@@H](c2ccc(C)cc2)n2nnnc2N3)cc1 10295715 IDQGJJCVBXCKKQ-LJQANCHMSA-N 401.430 3.238 0 40 HGAB COc1ccc(N(CCCC(=O)NCc2ccccc2)S(C)(=O)=O)cc1Cl 10359915 SNOUSXQYWDMGQJ-UHFFFAOYSA-N 410.923 3.211 0 40 HGAB Nc1c(-c2nc(-c3ccc(Br)cc3)no2)nnn1-c1cccc(F)c1 11691833 KNKNRFIUHIXJJP-UHFFFAOYSA-N 401.199 3.468 0 40 HGAB CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](C)Sc2nccn2C2CC2)cc1 11893695 FMPGHHBFTKDXAR-ZDUSSCGKSA-N 408.549 3.024 0 40 HGAB CCN1C[C@H](C(=O)N2CCC(c3nc4ccccn4c3NC(C)(C)C)CC2)CC1=O 12087467 UXLWVLWVAVYGMP-QGZVFWFLSA-N 411.550 3.119 0 40 HGAB CS(=O)(=O)c1cccc(C(=O)Nc2sc(-c3ccccc3)cc2C(N)=O)c1 12232689 KWHACMFCOSJOJO-UHFFFAOYSA-N 400.481 3.170 0 40 HGAB COC(=O)c1ccccc1NC(=O)CSc1nnnn1-c1cc(Cl)ccc1C 12293185 DOOXYBMSSKAVIF-UHFFFAOYSA-N 417.878 3.142 0 40 HGAB Cc1cc(NC(=O)Cc2ccc(-c3ccccc3)cc2)n([C@@H]2CCS(=O)(=O)C2)n1 12892937 QKWFRAFTBRSLQB-HXUWFJFHSA-N 409.511 3.399 0 40 HGAB COc1cc(NC(=O)COc2ccc3nc4n(c(=O)c3c2)CCCCC4)cc(OC)c1 12899509 UCCAYZPXHMQJAO-UHFFFAOYSA-N 423.469 3.158 0 40 HGAB biogenic Cc1cc(-c2snnc2[C@H]2CCCN(C(=O)CCc3c(C)noc3C)C2)on1 13225983 YGFFCZIOHKDYTM-AWEZNQCLSA-N 401.492 3.445 0 40 HGAB O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)c2cccc3cccnc23)CC1 14128561 RVJIGLUEVGXCEW-UHFFFAOYSA-N 403.438 3.454 0 40 HGAB CS(=O)(=O)N1CCC[C@H]1C(=O)Nc1sccc1-c1nc2ccccc2s1 16974929 NZVPYGDRHCNHAJ-ZDUSSCGKSA-N 407.542 3.387 0 40 HGAB Cc1ccc2c(c1)C[C@]1(CN2C)C(=O)NC(=O)N([C@H](C)CCc2ccccc2)C1=O 16993834 XKZHFSRLQGIMQN-OSPHWJPCSA-N 405.498 3.073 0 40 HGAB CC(C)(C)C1CCN(C(=O)CN2CC[C@H](c3cc(=O)n4c(n3)CCCCC4)C2)CC1 19082363 HPZVFIVUJOWLKF-SFHVURJKSA-N 414.594 3.044 0 40 HGAB Cc1cnc(-c2nnc(C3CCN(C(=O)CCOc4ccccc4C)CC3)o2)cn1 19237379 BQWYCWCVCMFLGD-UHFFFAOYSA-N 407.474 3.319 0 40 HGAB FC(F)(F)c1cccc(CN2CCC[C@H](Cn3nnc(-c4cnccn4)n3)C2)c1 19293309 AEMMKQMNTVMEPL-HNNXBMFYSA-N 403.412 3.061 0 40 HGAB Cc1c(CN2CCC[C@H](c3cc(C(=O)NCc4cccc(F)c4)on3)C2)cnn1C 19553693 BCMWSZZZIGSPSF-KRWDZBQOSA-N 411.481 3.165 0 40 HGAB COc1ccc(CC(=O)N2CCC[C@@H]([C@@H]3C[C@H](C(F)F)n4ncnc4N3)C2)cc1C 19571092 GIEYYBJFVYOXBL-IXDOHACOSA-N 419.476 3.067 0 40 HGAB COc1ccc(CC(=O)N(C)Cc2nc(N3CCCC3)ncc2-c2ccncc2)cc1 19586344 UWWCQFUEPCOLGV-UHFFFAOYSA-N 417.513 3.349 0 40 HGAB O=C(Nc1ccc(N2CCCS2(=O)=O)cc1)c1cc(-n2cccn2)ccc1Cl 19664893 ILSZVXITVCFUCG-UHFFFAOYSA-N 416.890 3.318 0 40 HGAB Cc1cc(C)nc(N2CC[C@H](c3c(C(=O)N4CCOCC4)sc4ncccc34)C2)n1 19701984 OPACDDGDVQPVNZ-INIZCTEOSA-N 423.542 3.169 0 40 HGAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2cc(F)ccc2C)cc1Cl 20016235 ZPSWVEAEERQFHG-LLVKDONJSA-N 400.859 3.102 0 40 HGAB CS(=O)(=O)N1CCC[C@@H](C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 20017071 CHCJWKJGCYMNGL-SECBINFHSA-N 418.359 3.334 0 40 HGAB COC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2ccc(OC[C@H]3CCCO3)cc2)c1C 22122900 PILQCOBGIFQWKS-QGZVFWFLSA-N 415.442 3.016 0 40 HGAB COc1cc(NC(=O)CN2CCN(Cc3ccsc3)CC2)c(OC)cc1Cl 22931297 MEBXBWRQFZOEQN-UHFFFAOYSA-N 409.939 3.175 0 40 HGAB COc1cc(C(=O)NCCCO[C@@H](C)c2ccccc2)cc(Cl)c1OCC(N)=O 23021903 XKSSLMZLBMAKIC-AWEZNQCLSA-N 420.893 3.110 0 40 HGAB CCc1ccc(C(=O)Oc2ccc(Cl)cc2)cc1S(=O)(=O)N1CCOCC1 23112455 YTDXTIYPKDVKGW-UHFFFAOYSA-N 409.891 3.143 0 40 HGAB O=C(NCc1ccc2c(c1)OCO2)C1CCN(c2ccc(-c3ccccc3)nn2)CC1 23143083 HZOSIUJOZIKVSV-UHFFFAOYSA-N 416.481 3.405 0 40 HGAB CCOc1cc2c(cc1NC(=O)[C@H]1CC(=O)N(c3ccc4c(c3)OCO4)C1)O[C@H](C)C2 24772853 VBBKYVIYNAUEMH-HIFRSBDPSA-N 424.453 3.129 0 40 HGAB COc1ccc(C(=O)N2CCN(C(=O)c3ccc4ccccc4c3)CC2)cc1OC 25732214 HJMODICGFUITDF-UHFFFAOYSA-N 404.466 3.455 0 40 HGAB CSc1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)cc1C(=O)N1CCOCC1 26116980 KJIKHGKXKBQPQU-UHFFFAOYSA-N 420.556 3.299 0 40 HGAB Cc1ccccc1Cn1ccc(NC(=O)[C@H](C)Cn2cc(Br)cn2)n1 28229947 BQCKTPNQJCGRHZ-CQSZACIVSA-N 402.296 3.474 0 40 HGAB CCSc1ccccc1NC(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O 30758601 PHMCGIJLADAPDI-UHFFFAOYSA-N 406.529 3.406 0 40 HGAB O=C(Cc1n[nH]c(=O)c2ccccc12)N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1 32895273 ZSJLCCZJHUVGJC-QHCPKHFHSA-N 409.449 3.248 0 40 HGAB CN(C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)[C@@H]1CCc2ccccc21 32905670 UFCMFZQNDTWADX-DYESRHJHSA-N 416.518 3.372 0 40 HGAB O=C(CN(C(=O)c1csnn1)c1cnc2ccccc2c1)NCCc1ccccc1 35289220 GETZOOZGEGFILX-UHFFFAOYSA-N 417.494 3.092 0 40 HGAB CC(=O)N1CCOc2cc(S(=O)(=O)N3CCC[C@H]3c3ccc(F)cc3)ccc21 36621219 YXYSQBPMDSHFLR-SFHVURJKSA-N 404.463 3.097 0 40 HGAB C[C@]1(c2cccc(NC(=O)CCCc3nc4ccccc4s3)c2)NC(=O)NC1=O 40111037 CBOFUIUNGBBFFF-OAQYLSRUSA-N 408.483 3.312 0 40 HGAB Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CCCN(S(C)(=O)=O)C3)cn2)cc1C 40122679 WDCFGKSCIKJGHL-MRXNPFEDSA-N 403.504 3.101 0 40 HGAB CN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)c1cccc(NS(C)(=O)=O)c1 40146842 MOHGEPCNRPMJOA-UHFFFAOYSA-N 412.515 3.153 0 40 HGAB CN(c1ccccc1)C1CCN(C(=O)/C=C/c2ccc(NS(C)(=O)=O)cc2)CC1 40158061 JJLCTFJZYBWJMB-JLHYYAGUSA-N 413.543 3.199 0 40 HGAB NC(=O)COc1ccc([C@H]2CC(O)=Nc3c(C(=O)O)cn(-c4ccc(F)cc4)c32)cc1 40286469 BVYLIHISNXVONY-MRXNPFEDSA-N 423.400 3.302 0 40 HGAB O=S(=O)(NC[C@H](c1ccco1)N1CCCC1)c1cccc(OC(F)(F)F)c1 43580910 ZDDRGMVEGHQVHO-OAHLLOKOSA-N 404.410 3.294 0 40 HGAB CCc1ccccc1O[C@@H](C)C(=O)Nc1cc(S(=O)(=O)NC(C)C)ccc1OC 44842709 HHNBODRKLDMZRM-HNNXBMFYSA-N 420.531 3.350 0 40 HGAB CC(C)(C)n1nc(C2CC2)cc1C(=O)NC[C@@H](c1ccc(F)cc1)N1CCOCC1 48094770 UQODZSFTKFRFKS-NRFANRHFSA-N 414.525 3.458 0 40 HGAB Cc1nnc(NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2C)o1 48374545 AUMXNZLDQIJWQW-UHFFFAOYSA-N 407.455 3.116 0 40 HGAB Cc1ccc(-n2cc(C(=O)N3CCC(NC(=O)c4cccc(F)c4)CC3)nn2)cc1C 49406318 DLFLOKONJVYXOP-UHFFFAOYSA-N 421.476 3.058 0 40 HGAB COc1ccc(C)cc1NC(=O)CSc1nc2[nH]ncc2c(=O)n1-c1ccccc1 51316692 LVFOYPZMWNWBAP-UHFFFAOYSA-N 421.482 3.157 0 40 HGAB CCC(CC)[C@H](CNC(=O)Nc1ccc(C(=O)N2CCOCC2)cc1)N1CCCC1 58324404 WKEBMGLWUIRJSP-NRFANRHFSA-N 416.566 3.181 0 40 HGAB C[C@H](CNc1cnn(-c2ccc(C(F)(F)F)cn2)c(=O)c1Cl)Cn1ccnc1 60380084 FTYIEJXIOZYLGB-LLVKDONJSA-N 412.803 3.244 0 40 HGAB CCc1noc(-c2ccc(-n3cnc(C(=O)NCc4ccc(Cl)cc4)c3)nc2)n1 65251083 OMEQLTWIEVDQJV-UHFFFAOYSA-N 408.849 3.463 0 40 HGAB O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1O)c1cccc(OC(F)F)c1 69673579 YLQUDUMDRJLGKB-UHFFFAOYSA-N 412.414 3.030 0 40 HGAB CN1CCC(C(=O)N2CCC[C@@H](c3nc(N)ncc3-c3ccc(Cl)cc3)C2)CC1 72346257 QGIRHCUPKPDXSA-QGZVFWFLSA-N 413.953 3.427 0 40 HGAB Cc1nc(Nc2ncc(C)s2)cc([C@H]2CCCN2S(=O)(=O)N2CCCCC2)n1 72359923 OQFJGJGIKRCENC-MRXNPFEDSA-N 422.580 3.161 0 40 HGAB Cc1nc(C)n(CCC(=O)NC2CCN(CC3(c4ccccc4)CCCC3)CC2)n1 72393414 JIRBJBPBGRVLPR-UHFFFAOYSA-N 409.578 3.378 0 40 HGAB O=C(NCc1cc(F)cc(F)c1)c1cn(-c2ccc(-c3nc(C4CC4)no3)cn2)cn1 80324643 SUDHNKDRLSNKHU-UHFFFAOYSA-N 422.395 3.403 0 40 HGAB Cn1cc(C(=O)NCCc2ccc(OCC(=O)O)cc2)c(-c2ccccc2Cl)n1 95425569 BGPFDGIEYDUTCJ-UHFFFAOYSA-N 413.861 3.176 0 40 HGAB COc1cc2c(cc1OC)CC(=O)N(CC(=O)Nc1nc3ccccc3s1)C=C2 95473404 WVENLYCBVWEDFH-UHFFFAOYSA-N 409.467 3.308 0 40 HGAB CC(C)[C@@H](C(=O)NCCCCCc1nnc2ccccn12)N1Cc2ccccc2C1=O 95477209 FYGRJFXKGKTSEP-QFIPXVFZSA-N 419.529 3.239 0 40 HGAB CCOc1ccc(S(=O)(=O)Nc2ccc(N3CCSCC3)cc2C(=O)O)cc1 95958213 JUVLNHKYWLHHMY-UHFFFAOYSA-N 422.528 3.138 0 40 HGAB COCc1n[nH]c(-c2ccc(NC(=O)c3cc4cc(OC)c(OC)cc4n3C)cc2)n1 96117920 YXZHMRDSADXKEC-UHFFFAOYSA-N 421.457 3.379 0 40 HGAB CN1CCN(C(=O)C[C@H]2CC3(CCN(C(=O)C4CCCC4)CC3)c3ccccc32)CC1 96242274 GTYRKPOKFJSKFM-NRFANRHFSA-N 423.601 3.388 0 40 HGAB CCN1CCn2c(-c3ccccc3)cnc2C12CCN(C(=O)Cc1ccccn1)CC2 96263312 KQQIWWALZCEPEG-UHFFFAOYSA-N 415.541 3.341 0 40 HGAB O=S(=O)(c1ccc(Cl)cc1)[C@H]1CCN(S(=O)(=O)c2ccc(Cl)cc2)C1 96371273 JFNGWTLESCXUPU-INIZCTEOSA-N 420.339 3.230 0 40 HGAB O=C(CCN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O)Nc1ccc(Cl)cc1Cl 102086100 FSHJIJIUGQWLFU-KNNTYIFHSA-N 405.281 3.375 0 40 HGAB Cc1ccc(NC(=O)CCCN(c2ccc3c(c2)OCO3)S(C)(=O)=O)c(C)c1 113943494 BOTRILJTOPZSBZ-UHFFFAOYSA-N 404.488 3.217 0 40 HGAB COc1ccc([C@@H](C)NC(=O)CCCN(c2ccc(C)cc2)S(C)(=O)=O)cc1 113955162 NKFQPDWKMPOWHE-QGZVFWFLSA-N 404.532 3.427 0 40 HGAB CC[C@H](C)NS(=O)(=O)c1ccc(NCCc2ccc(OC)cc2)c(C(=O)O)c1 217560203 ZSGCFBBZXAETCT-AWEZNQCLSA-N 406.504 3.125 0 40 HGAB CCc1ccc(N([C@H](C)C(=O)NCCCc2ccc(OC)cc2)S(C)(=O)=O)cc1 220283426 FYXASIFNGYLAPI-QGZVFWFLSA-N 418.559 3.161 0 40 HGAB CNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)COc1ccc(Br)cc1 222384193 DXOFGEWJUFSIDU-OAHLLOKOSA-N 419.319 3.300 0 40 HGAB COc1cc(NC(=O)c2cccc(N(C)S(C)(=O)=O)c2C)c(OC)cc1Cl 222435805 ATIAQECDLUEPEM-UHFFFAOYSA-N 412.895 3.314 0 40 HGAB Cc1ccc(N(CC(=O)NCCOc2ccccc2C(C)C)S(C)(=O)=O)cc1C 223756075 NUULRFCWKMFINB-UHFFFAOYSA-N 418.559 3.388 0 40 HGAB COC(=O)c1cc(S(=O)(=O)Nc2ccc(OC3CCN(C)CC3)cc2)ccc1C 223824974 VOYPCQDWTHLAEO-UHFFFAOYSA-N 418.515 3.055 0 40 HGAB CC[C@@H](NC(=O)c1ccc(N(C)S(=O)(=O)N(C)C)cc1)c1ccc(OC)c(C)c1 224607575 XNKOVZNXDUEQMA-LJQANCHMSA-N 419.547 3.127 0 40 HGAB CC(C)(C)C(=O)Nc1nnc(S(=O)(=O)Nc2ccc(Br)cc2)s1 225545304 GNXDHUYMRJBOFH-UHFFFAOYSA-N 419.326 3.086 0 40 HGAB C[C@H]1CCCN(c2cc(N3CCOCC3)nc(NC(=S)NC3CCCCC3)n2)C1 226008063 NMIYDENLWFTAPJ-INIZCTEOSA-N 418.611 3.169 0 40 HGAB CCNC(=O)C1(Cc2ccccc2-c2cccnc2)CCN(C(=O)[C@H]2CCCO2)CC1 257270825 MVUPAIJWBCHLKY-JOCHJYFZSA-N 421.541 3.215 0 40 HGAB NC(=O)CC1(COc2ccccc2)CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 257315583 VCAUZULUVYUNFD-UHFFFAOYSA-N 422.934 3.065 0 40 HGAB CN([C@H](C(=O)NCCOc1ccc(C(C)(C)C)cc1)c1ccccc1)S(C)(=O)=O 260926696 JJUKEHOFAWAVOG-FQEVSTJZSA-N 418.559 3.112 0 40 HGAB Cc1ccc(C(=O)NC[C@@H]2CC[C@@]3(COCCN(Cc4cccs4)C3)O2)cc1 306137489 QXRIRPBAVVWQMS-SIKLNZKXSA-N 400.544 3.237 0 40 HGAB COc1ccc2c(c1)C(=O)[C@H]([C@@]1(O)C(=O)Nc3ccc(Br)cc31)CC2 408570220 ZWXIETYBABAFEM-KUHUBIRLSA-N 402.244 3.043 0 40 HGAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)CSCc1ccc(OC)cc1 408573601 DUFONCHKDIEVAB-UHFFFAOYSA-N 405.472 3.371 0 40 HGAB CCOC(=O)Nc1cc(S(=O)(=O)Nc2ccc(C(=O)OCC)cc2)ccc1OC 408586802 RBTYZYUJNVPLQM-UHFFFAOYSA-N 422.459 3.241 0 40 HGAB CN1CCN(c2ccc(NC(=S)NC(=O)/C=C/c3ccco3)cc2Cl)CC1 408627089 JYDMZTZXSJHKDB-FNORWQNLSA-N 404.923 3.211 0 40 HGAB COc1ccc(C)cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2c(F)cccc2F)C1 409392660 SPPQJIBZPCPKIH-CQSZACIVSA-N 424.469 3.321 0 40 HGAB CC(C)OC1CCN(C(=O)[C@@H]2CCCN(C(=O)CCOc3ccccc3)C2)CC1 593122169 OAQYLNZCENZBHK-LJQANCHMSA-N 402.535 3.110 0 40 HGAB C[C@H](Cc1cn(C)c2ccc(F)cc12)NC(=O)Nc1ccc(-c2cnn(C)c2)nn1 1669437364 OLIRGAPZVCFBRZ-CYBMUJFWSA-N 407.453 3.261 0 40 HGAB O=C(NCc1ccccc1)N1CCC[C@H](COc2ncc(Br)cn2)C1 1775969180 AEJBIRQMZWQRRR-HNNXBMFYSA-N 405.296 3.240 0 40 HGAB CCN(CC)C(=O)c1sc2nc(N3CCOCC3)c3c(c2c1N)CC(C)(C)OC3 810536 GMMACCVAHGTXOH-UHFFFAOYSA-N 418.563 3.048 0 40 HGAB COc1ccc(NC(=O)CCc2ccc(S(=O)(=O)NCC(C)C)cc2)c(OC)c1 983265 XYIWEIOANBSVQX-UHFFFAOYSA-N 420.531 3.209 0 40 HGAB O=C(NCc1ccc(F)cc1)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 1363380 SIBZSSNNPUIRBR-HNNXBMFYSA-N 410.898 3.196 0 40 HGAB CCOC(=O)c1sc2ncn(CC(=O)Nc3cccc(Cl)c3)c(=O)c2c1C 1971190 HDGSNRNNBASNAB-UHFFFAOYSA-N 405.863 3.235 0 40 HGAB Cc1c(CC(=O)NCC(=O)O)c(=O)oc2cc3occ(-c4ccc(F)cc4)c3cc12 2160406 YWBZKROXENKHEW-UHFFFAOYSA-N 409.369 3.397 0 40 HGAB biogenic COc1ccc(C(=O)N/C(=C\c2cn(C)c3ccccc23)C(=O)OCCN(C)C)cc1 2255125 JMSKFXIHSGPEGC-QNGOZBTKSA-N 421.497 3.063 0 40 HGAB COc1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2N)c(OC)c1 2263914 BNJGJJPPSRWVFX-UHFFFAOYSA-N 419.894 3.060 0 40 HGAB Cn1c(SCC(=O)Nc2cccc(Br)c2)nnc1-c1ccccn1 2396642 WNDLWOSRHRRWTR-UHFFFAOYSA-N 404.293 3.370 0 40 HGAB COc1cc(Br)c(CCNS(=O)(=O)c2ccc(C)cc2)cc1OC 3165578 RXMSGNOWQRDRRD-UHFFFAOYSA-N 414.321 3.296 0 40 HGAB O=C(COC(=O)c1ccccc1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 3240351 XMDKYNAHMVRSQP-UHFFFAOYSA-N 408.376 3.338 0 40 HGAB C[C@H](OC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)C(=O)Nc1ccccc1 3392802 VGIXSZMOLOQWGF-INIZCTEOSA-N 416.499 3.045 0 40 HGAB O=C(NC[C@H](c1ccco1)N1CCCCC1)[C@@H]1CCCN1C(=O)c1cccs1 3504277 JPLQYUUFHCUUDC-DLBZAZTESA-N 401.532 3.289 0 40 HGAB Cc1ccc(-n2nnc3c(SCC(=O)N4CCc5ccccc54)ncnc32)cc1 4166589 GCKRMJPUVUAIIU-UHFFFAOYSA-N 402.483 3.200 0 40 HGAB COc1ccccc1OCc1nnc(S[C@H](C)C(=O)Nc2nc(C)cs2)n1C 4814813 KUYVBXIHDXTLOW-GFCCVEGCSA-N 419.532 3.287 0 40 HGAB Nc1c(C(=O)Nc2ccc(F)c(F)c2)nnn1Cc1cccc(Br)c1 4852512 ASUATKDNKQIPAT-UHFFFAOYSA-N 408.206 3.202 0 40 HGAB COc1ccccc1[C@H]1c2ccc(O)cc2Oc2ncn(CCCN(C)C)c(=N)c21 5348786 NRBALVWYGYRCKN-FQEVSTJZSA-N 406.486 3.314 0 40 HGAB CNC(=O)NC(=O)COC(=O)c1ccccc1Nc1ccc(SC(F)F)cc1 5710315 DLMOKTSIICBZNX-UHFFFAOYSA-N 409.414 3.357 0 40 HGAB COc1cc(/C=C/C(=O)OCC(=O)Nc2ccc3c(c2)CCC3)cc(OC)c1OC 5779469 HLGHJRSLBWNLNH-JXMROGBWSA-N 411.454 3.396 0 40 HGAB COc1ccc(CNC(=O)COc2cc(C)cc3oc(=O)c(C)c(C)c23)cc1OC 6623769 YPZPRKYJOLNQHQ-UHFFFAOYSA-N 411.454 3.431 0 40 HGAB biogenic O=S(=O)(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccccc1Cl 6919741 VJPMRMWHQLHBCE-UHFFFAOYSA-N 414.936 3.315 0 40 HGAB CC(C)[C@@H](NC(=O)Cn1nnc(-c2ccsc2)n1)c1ccc2c(c1)OCCCO2 8000635 VFZACHIWYZPDSM-LJQANCHMSA-N 413.503 3.076 0 40 HGAB O=C(CCNS(=O)(=O)c1ccc(Cl)cc1)N1CCC(Cc2ccccc2)CC1 8289632 DOHBRHDXBHFKPF-UHFFFAOYSA-N 420.962 3.490 0 40 HGAB O=C(c1cccs1)N1CCN(C(=O)c2cc(C3CC3)nn2-c2ccccc2)CC1 8402657 QSIPNJKDUVPYRK-UHFFFAOYSA-N 406.511 3.409 0 40 HGAB C[C@@H]1Cc2ccccc2N1C(=O)CN1C(=O)N[C@]2(CCCCc3ccccc32)C1=O 8703858 IKVBSKCCMNFRBM-GYCJOSAFSA-N 403.482 3.138 0 40 HGAB Cc1ccc(CNC(=O)CSc2nc(O)c3cnn(-c4ccccc4)c3n2)cc1 8735914 YUFYFERDDDSDFR-UHFFFAOYSA-N 405.483 3.238 0 40 HGAB Cc1ccc(OCC(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)cc1C 10216367 ZZJNNLCDDIVQAM-UHFFFAOYSA-N 410.470 3.288 0 40 HGAB O=C(CSc1ccc(NC(=O)c2ccccc2F)nn1)NCc1ccc(F)cc1 11738846 YROWYBMIXMWBEL-UHFFFAOYSA-N 414.437 3.416 0 40 HGAB Cn1cc(OCc2ccccc2)c(=O)cc1C(=O)NCCc1c[nH]c2ccccc12 12165512 QSDAHXBZEYXGNK-UHFFFAOYSA-N 401.466 3.418 0 40 HGAB COc1ccc2c(c1)O[C@@]1(C[C@H]3CC[C@@H]1C[C@@H]3C(=O)NCc1ccccc1F)NC2=O 12185302 BQMNYYYNDCZDBI-DRUZFVTJSA-N 424.472 3.405 0 40 HGAB CC(C)c1cc(C(F)(F)F)n2nc([C@H]3CCCN3C(=O)CN3CCCC3=O)cc2n1 12230406 NHMYXBWXROWSDI-OAHLLOKOSA-N 423.439 3.157 0 40 HGAB O=C(c1ccc(NS(=O)(=O)c2ccc(Br)s2)cc1)N1CCC1 12536115 ZAQOBFZBRUOADA-UHFFFAOYSA-N 401.307 3.157 0 40 HGAB Cc1cccc(CS[C@H](C)C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c1 12582287 KMXPGSOWZVFJRT-GOSISDBHSA-N 418.584 3.150 0 40 HGAB Cc1ccc(-n2nc(C)c(NC(=O)CCc3ccc(S(N)(=O)=O)cc3)c2C)cc1 12748463 MTXLNPJBJJTVIP-UHFFFAOYSA-N 412.515 3.016 0 40 HGAB CCOC(=O)c1ccsc1NC(=O)CN1C(=O)[C@H](C)N(c2ccc(C)cc2)C1=O 12822224 SWOQZYAUEJBHBB-ZDUSSCGKSA-N 415.471 3.029 0 40 HGAB CC(C)OCc1ccc(C(=O)N2CCC(NS(=O)(=O)c3ccccc3)CC2)cc1 12908399 HERZOHMKDAKXQG-UHFFFAOYSA-N 416.543 3.195 0 40 HGAB CCOC(=O)C1=C(CN(C)Cc2ccc(F)c(F)c2)NC(=O)N[C@H]1c1ccc(C)o1 12909211 VYBAPQDADFJNPA-IBGZPJMESA-N 419.428 3.169 0 40 HGAB CCN(C(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1)C1CCCCC1 12983144 SOOVYNRNNBSCFX-UHFFFAOYSA-N 408.564 3.277 0 40 HGAB CCC(C)(C)NC(=O)C1CCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)CC1 13014672 BIGAFGGBSBPXGO-UHFFFAOYSA-N 422.469 3.291 0 40 HGAB Cc1cc2nc(COc3cccc(NC(=O)c4ccc5c(c4)OCO5)c3)cc(=O)n2o1 13368508 QWPLJWRTDHYHJX-UHFFFAOYSA-N 419.393 3.156 0 40 HGAB C[C@@H](Oc1ccccc1Cl)C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 13709825 FNQLVKJIDXDDRH-OAHLLOKOSA-N 402.878 3.180 0 40 HGAB CCOc1cc(C(=O)Nc2cc(C)cc(C)c2)ccc1OCC(=O)N1CCOCC1 14120739 IIQGLPXYDBTTOK-UHFFFAOYSA-N 412.486 3.192 0 40 HGAB CC(=O)Nc1cccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)c1 14136659 NILRBXWFBWORHX-UHFFFAOYSA-N 415.515 3.462 0 40 HGAB COc1ccc(OC)c(S(=O)(=O)Nc2cnn(Cc3ccc(Cl)cc3)c2)c1 14222165 ITFMVGGXBANKOU-UHFFFAOYSA-N 407.879 3.403 0 40 HGAB O=C(/C=C/c1cc(Cl)c2c(c1)OCO2)OCC(=O)N1CCc2sccc2C1 14287798 LZSBTBGABFDSKZ-OWOJBTEDSA-N 405.859 3.272 0 40 HGAB C[C@@H]1CCc2c(C(=O)N3CCN(S(=O)(=O)c4ccccc4F)CC3)csc2C1 14694315 UITSLODQDBVQKG-CQSZACIVSA-N 422.547 3.159 0 40 HGAB O=C(Nc1ccc(F)c(F)c1F)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 15002102 OYKGSIPWRMKYEI-UHFFFAOYSA-N 416.396 3.282 0 40 HGAB C[C@H](C(=O)N1CCCc2ccccc21)N1CCC(C(=O)Nc2ccccc2O)CC1 15043464 ORZAHIHXWILKII-QGZVFWFLSA-N 407.514 3.411 0 40 HGAB C[C@@H](C(=O)NCC(F)(F)F)N(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 16046636 JMCZYVBQGGPHHH-LBPRGKRZSA-N 404.385 3.088 0 40 HGAB Cc1cccc(C)c1OCC(=O)N(Cc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 16741782 KNUGETLCUXVWLE-IBGZPJMESA-N 405.491 3.037 0 40 HGAB COc1cc2c(cc1OC)[C@@H](CNC(=O)/C=C\c1cc(OC)c(OC)c(OC)c1)C2 17062390 KWCVJXFIJROWLR-MWWKQMNYSA-N 413.470 3.199 0 40 HGAB O=C(CCc1nc(-c2ccccn2)no1)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 19375774 CEXISNLJTUWASH-OAHLLOKOSA-N 402.458 3.347 0 40 HGAB CCN(CC)S(=O)(=O)N1CC[C@@H](c2cc(COc3ccc(Cl)cc3)[nH]n2)C1 19704525 OPPSCBUAWRMUDV-CQSZACIVSA-N 412.943 3.018 0 40 HGAB COCC(=O)N1CCCC[C@H]1c1nc(C)c2c(n1)N(CCCc1ccccc1)C(=O)C2 19739679 PGKUYIVPTPEHPO-FQEVSTJZSA-N 422.529 3.007 0 40 HGAB Cc1c(C(=O)N2CCN(Cc3ccccc3)CC2)nnc2c(-c3ccccc3)cnn12 19816999 HAWUYOLGCRAQAN-UHFFFAOYSA-N 412.497 3.058 0 40 HGAB COc1cc(C(=O)NCC(=O)Nc2cnc3ccccc3c2)ccc1OC(F)F 21136800 VGLDMDYZVAJACI-UHFFFAOYSA-N 401.369 3.213 0 40 HGAB CN1CCN(c2ccc(NC(=O)c3ccc(COCC(F)(F)F)cc3)cn2)CC1 22471803 JAYCPCDRUCFGAT-UHFFFAOYSA-N 408.424 3.165 0 40 HGAB CC[C@H](C(=O)N(C)Cc1ccccc1OC)N(c1ccc(C)cc1)S(C)(=O)=O 22515365 ROWRGXDVOBXQEX-LJQANCHMSA-N 404.532 3.207 0 40 HGAB Cc1cc(C(=O)N(CCN2CCOCC2)c2nc3c(C)c(C)ccc3s2)on1 23128106 QTEOXRBZFBDRJI-UHFFFAOYSA-N 400.504 3.189 0 40 HGAB O=C(c1ccc(S(=O)(=O)NCCc2cccs2)cc1)N1CCc2ccccc21 24539859 NHHUKSASKUEVQY-UHFFFAOYSA-N 412.536 3.472 0 40 HGAB C[C@H](C(=O)NC(=O)Nc1ccc2c(c1)OCCO2)N1CCC(c2ccccc2)CC1 24748064 WSRXLKCKBFVGTI-MRXNPFEDSA-N 409.486 3.374 0 40 HGAB CC(C)C(=O)NCCNC(=O)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1 24927486 FNFUYSQYPKKBKS-UHFFFAOYSA-N 400.866 3.288 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)CN(C)[C@@H]2CCc3ccccc32)cc1 29482826 HHUMPMTVYBLUSV-OAQYLSRUSA-N 415.559 3.275 0 40 HGAB CSc1cccc(N2C[C@@H](C(=O)NC[C@H](c3cccc(F)c3)N(C)C)CC2=O)c1 29836448 BKBHCWNJKVMAOS-OXJNMPFZSA-N 415.534 3.320 0 40 HGAB O=C(C1CC1)N1CCC(C(=O)N2CCN(Cc3csc4ccccc34)CC2)CC1 32757171 MOZIWHVQKRDGMJ-UHFFFAOYSA-N 411.571 3.194 0 40 HGAB CC(C)(C)OC(=O)N1CCC(C(=O)N2CCC[C@@H](c3nnc4ccccn34)C2)CC1 32830569 REVYSUHFNXMDFF-QGZVFWFLSA-N 413.522 3.082 0 40 HGAB COc1ccc(C)cc1NC(=O)[C@@H](c1ccccc1)N1CCN(C(=O)C2CC2)CC1 35307261 WTNXVNQHIKVPPN-JOCHJYFZSA-N 407.514 3.238 0 40 HGAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)O2 38834737 ZICQIWBWNARKGW-MRXNPFEDSA-N 414.405 3.180 0 40 HGAB COc1cc(C(=O)N[C@@H](C(=O)N(C)Cc2ccsc2)C(C)C)cc(OC)c1OC 39981845 AZQWSIIFZNFZFT-GOSISDBHSA-N 420.531 3.187 0 40 HGAB COc1cc(N2C[C@@H](C(=O)N[C@@H](C)c3cccc(F)c3)CC2=O)cc(OC)c1OC 40068082 VYZLFUZNVMFVIU-ZFWWWQNUSA-N 416.449 3.082 0 40 HGAB COC(=O)c1cnc(NC(=O)[C@H]2CCCN(c3ncccc3C(F)(F)F)C2)s1 40131994 MRCAATWZBJIOOI-JTQLQIEISA-N 414.409 3.199 0 40 HGAB COc1ccccc1Cn1ccc2nc3ncnn3c(-c3ccc(F)cc3)c2c1=O 40398322 VZIHOPLFRLTYGW-UHFFFAOYSA-N 401.401 3.302 0 40 HGAB COc1ccc2c(c1)C(C[C@H]1CN(C(=O)C(C)(C)C)CC[C@H]1CC(=O)O)=NCC2 49590477 FGVLZZDEAWAGTF-IRXDYDNUSA-N 400.519 3.416 0 40 HGAB biogenic,in-vitro COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)[C@H](C)N1CCN(c2ccccc2)CC1 57058650 CMRYWKGKTPVKBY-KRWDZBQOSA-N 420.513 3.412 0 40 HGAB COC(=O)c1ccccc1NC(=O)CSc1nc2ccccc2n2c(C)nnc12 64948996 DICAKAUNQIGBPL-UHFFFAOYSA-N 407.455 3.103 0 40 HGAB C[C@@H](Oc1ccccc1)c1nnc(SCC(=O)N2CCOCC2)n1-c1ccccc1 72190869 ONFUVHHTRQHEFE-QGZVFWFLSA-N 424.526 3.358 0 40 HGAB CC(C)NC(=O)Nc1ccc(C(=O)NC[C@H](CO)Cc2ccc(Cl)cc2)cc1 72311749 OEMUMJUEOOVZSR-MRXNPFEDSA-N 403.910 3.451 0 40 HGAB CNc1cc([C@@H]2CC(=O)N(Cc3ccccc3)C2)nc(CN(C)C(=O)C2CCCC2)n1 72391878 NYQSVXFMVAOTDX-LJQANCHMSA-N 421.545 3.183 0 40 HGAB COc1ccccc1Cn1ncc2c1CCC[C@H]2NC(=O)Cc1ccc2c(c1)OCO2 72396991 ASMAITDKQPYJLG-LJQANCHMSA-N 419.481 3.405 0 40 HGAB CCC1CCC2(CC1)NC(=O)N(CC(=O)N(Cc1cccc(O)c1)CC1CC1)C2=O 84735457 FMEIISXVJJROJF-UHFFFAOYSA-N 413.518 3.022 0 40 HGAB CN(Cc1nc(C(F)(F)F)no1)C(=O)C1CCN(c2nc3ccccc3o2)CC1 89364880 XCIBFNLOTJBESX-UHFFFAOYSA-N 409.368 3.105 0 40 HGAB COc1ccc([C@H]2CC(c3cc(OC)cc(OC)c3)=NN2C(=O)CCC(=O)O)cc1 95532107 YKJAIANSYDZGEO-HXUWFJFHSA-N 412.442 3.255 0 40 HGAB O=C(Nc1ccc2c(c1)OCO2)[C@@H]1C[C@@]12CCN(C(=O)NCc1cccc(F)c1)C2 96075125 ZFACLROXHNIPQG-HTAPYJJXSA-N 411.433 3.115 0 40 HGAB COc1ccc(-c2nn(CCCC(=O)Nc3cc(C)ccn3)c(=O)cc2OC)cc1 96100892 KFDRCGAETVNFAY-UHFFFAOYSA-N 408.458 3.050 0 40 HGAB Cc1ccc(N2C(=O)[C@H]3N=NN(Cc4nc(-c5ccc(Cl)cc5)no4)[C@H]3C2=O)cc1 101272256 VZACLBIXFOITGF-DLBZAZTESA-N 422.832 3.192 0 40 HGAB Cc1cc(C)c(NC(=O)CN2C(=O)C(=O)N([C@H](C)[C@H]3C[C@H]4CC[C@H]3C4)C2=O)c(C)c1 104673286 DRFHIHCETLVQIY-VSZNYVQBSA-N 411.502 3.166 0 40 HGAB C[C@H]1CN(c2ccc(C(=O)N[C@H](C)c3ccc4c(c3)CCC(=O)N4)cn2)C[C@@H](C)O1 107491304 FIGLAKYEJXNVDY-OWCLPIDISA-N 408.502 3.071 0 40 HGAB O=C(N[C@@H]1C[C@@H]2CC[C@@H]1C2)C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1 113947743 WITQZSQDGPOCFB-IDHHARJASA-N 410.967 3.187 0 40 HGAB CCc1nnc(SCC(=O)Nc2ccc(I)cc2)n1CC 216102163 UZKGGAGODDKEFJ-UHFFFAOYSA-N 416.288 3.196 0 40 HGAB CN(C)S(=O)(=O)N(CC(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1F 216487207 IHEJLEGFRTWQIT-UHFFFAOYSA-N 420.293 3.384 0 40 HGAB COc1ccc([C@H](C)NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1 219756566 IQGOKMCNVNUTSS-LIRRHRJNSA-N 422.934 3.379 0 40 HGAB C[C@H](NC(=O)CN1C(=O)c2cccc3cccc1c23)c1ccc(S(C)(=O)=O)cc1 223844506 ZJYOIZGBCPFLMW-AWEZNQCLSA-N 408.479 3.081 0 40 HGAB COC(=O)c1cc(S(=O)(=O)NCc2cccc(CN3CCCCC3)c2)ccc1C 224697912 RUFCNHKRYXNKSM-UHFFFAOYSA-N 416.543 3.246 0 40 HGAB CCOc1ccc(C(=O)NC(C)C)cc1CN(C)S(=O)(=O)c1ccc(C)cc1 224819966 FWKBSFRJEPJINS-UHFFFAOYSA-N 404.532 3.353 0 40 HGAB Cc1ccc(C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCN(C)CC3)c2)c(Cl)c1 225003842 ICBXZCUGJTUIFV-UHFFFAOYSA-N 421.950 3.145 0 40 HGAB COC(=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)sc(=O)n3C(C)C)c1 225710420 FHWVTDUFEJLFMN-UHFFFAOYSA-N 406.485 3.231 0 40 HGAB CCOc1ccc(NC(=O)[C@@]2(C)CCCN(Cc3ccccc3)S2(=O)=O)cc1 225952245 UGAVVPWDAMSDPB-OAQYLSRUSA-N 402.516 3.408 0 40 HGAB CN(Cc1ccc(OCc2nccn2C)cc1)C[C@@H](O)Cn1ccc2ccccc21 257233509 GPOZASHGLJDGQA-OAQYLSRUSA-N 404.514 3.447 0 40 HGAB CC1(C)Oc2cc(O)ccc2[C@H]2OCC3(CCN(C(=O)Cn4cccn4)CC3)C[C@@H]21 257287625 PQTUVGQRPCTFMW-GHTZIAJQSA-N 411.502 3.146 0 40 HGAB FC(F)(F)c1ccc(OCCc2cc([C@@H]3CN(c4ncccn4)CCO3)n[nH]2)cc1 257319826 VUFCVAOSMCEOPK-SFHVURJKSA-N 419.407 3.418 0 40 HGAB COc1ccccc1[C@@H](C)NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 260767893 QGJTZTTVAYZLKV-RDTXWAMCSA-N 422.934 3.379 0 40 HGAB CC(C)n1cnc([C@@H]2CN(Cc3ccccc3)C[C@@]23OCCN(CC2CCC2)C3=O)c1 306126032 DKBHTDLNPCYXGE-WIOPSUGQSA-N 422.573 3.461 0 40 HGAB Cc1ccc(-c2ccc3c([C@@H]4CN(C(=O)c5ccccn5)CCN4C)nnn3c2)cc1 306127600 GDCQJVWLKHEPSK-QFIPXVFZSA-N 412.497 3.229 0 40 HGAB CCN(CC)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(NC(C)=O)cc2)cc1 408561705 KJVCNDUUVUJOBN-UHFFFAOYSA-N 404.492 3.320 0 40 HGAB CC[C@@H](C)NS(=O)(=O)c1ccc(OCC(=O)NCc2ccccc2Cl)cc1 409201654 XCSREQSHLJZCSI-CQSZACIVSA-N 410.923 3.112 0 40 HGAB CCn1c(SCC(=O)Nc2ccc(C(=O)OC)cc2)nnc1-c1ccccc1O 409412601 YLIXZBOZYKGZND-UHFFFAOYSA-N 412.471 3.188 0 40 HGAB Cc1cc(C)n(Cc2ccc(C(=O)Nc3cccc(-n4cnc(N(C)C)n4)c3)cc2)n1 506117706 ILGFBBNEQVMRPD-UHFFFAOYSA-N 415.501 3.447 0 40 HGAB CCOC(=O)c1ccc(NC(=O)CSc2nnc(-c3cccnc3)n2CC)cc1 877853 IUUMUQPVDXYJFR-UHFFFAOYSA-N 411.487 3.268 0 40 HGAB CCOc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(OC)cc3)C2)cc1 1365512 YAJZRKIQRAUGQB-MRXNPFEDSA-N 418.515 3.133 0 40 HGAB CCOC(=O)C(Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(NC=O)C(=O)OCC 1757424 JDGKXFLPUAJSDM-UHFFFAOYSA-N 421.534 3.141 0 40 HGAB CCS(=O)(=O)Nc1ccc(C2=NN(C(C)=O)[C@H](c3ccccc3OC)C2)cc1 4036283 AUXZWSYFQJZHAH-IBGZPJMESA-N 401.488 3.154 0 40 HGAB CC(=O)OCC(=O)[C@@]1(O)[C@H](C)C[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 4073869 UREXXQAEJYMHKC-JXTDDOELSA-N 404.547 3.419 0 40 HGAB biogenic COc1cc(/C=C2\N=C(c3ccccc3)OC2=O)cc(Cl)c1OS(C)(=O)=O 4525895 FRSACTXJQHQIBX-ZROIWOOFSA-N 407.831 3.032 0 40 HGAB COc1cccc(CNC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)c1 4732607 VCKUNPGRIZGMDA-UHFFFAOYSA-N 402.497 3.488 0 40 HGAB CCCCn1c(N)c(N(Cc2ccco2)C(=O)c2cccc(Cl)c2)c(=O)[nH]c1=O 5605489 GCJRXZMRSRFMQP-UHFFFAOYSA-N 416.865 3.012 0 40 HGAB COc1ccc(-c2csc(NC(=O)C3=C[C@@H]4C=CC=C[C@H]4OC3=O)n2)c(OC)c1 6441390 PYEVZSXBSYBGFU-YVEFUNNKSA-N 410.451 3.360 0 40 HGAB CCCCn1nc(C(=O)N(C)CC(=O)Nc2cccc(F)c2)c2ccccc2c1=O 6552797 GEFHFZIQXBTTNF-UHFFFAOYSA-N 410.449 3.046 0 40 HGAB Cc1ccc(C(=O)O)cc1NC(=O)c1cc(S(=O)(=O)N2CCCC2)c(C)s1 6679711 FZHBXOHJJODFJE-UHFFFAOYSA-N 408.501 3.100 0 40 HGAB CCCN(Cc1nnc(-c2ccco2)o1)C(=O)[C@@H]1CC(=O)N(c2ccc(C)cc2)C1 6882276 JLRXUCJCEKMEPC-MRXNPFEDSA-N 408.458 3.430 0 40 HGAB CCn1c(SCC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)nc2ccccc21 6974762 ONXNQSUSENGOBS-UHFFFAOYSA-N 415.540 3.353 0 40 HGAB CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CCc1nc(-c2cccs2)no1 7775490 BEYMZCDRMVKYOP-UHFFFAOYSA-N 409.471 3.016 0 40 HGAB CC(=O)c1cc2c(cc1NC(=O)[C@@H]1CC(=O)N([C@@H]3CCC[C@H](C)[C@H]3C)C1)OCO2 7985830 DKJSMKFLZRQUBS-YRWGSWDYSA-N 400.475 3.230 0 40 HGAB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3cccc(CO)c3)cc2)C1 8166203 JWXQDGJJAKSXGP-HZPDHXFCSA-N 402.516 3.098 0 40 HGAB CS(=O)(=O)N(CCc1ccccc1)CC(=O)Nc1cccc(Cl)c1Cl 8169481 UCVYQGKYAVYXNB-UHFFFAOYSA-N 401.315 3.436 0 40 HGAB COc1cc(C(=S)N2C[C@H](C)O[C@H](C)C2)ccc1OCC(=O)Nc1ccccc1 8222615 OFPNTQINECJNLT-IYBDPMFKSA-N 414.527 3.497 0 40 HGAB O=C(NCc1ccc(F)cc1)[C@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(-c2ccccc2)nn1 8298752 SNGPEIJZWGGCBQ-NNWRFLSQSA-N 419.504 3.111 0 40 HGAB biogenic,in-vitro Cc1ccc(-n2nnnc2SCC(=O)Nc2cc(C)nn2-c2ccccc2)cc1 8313696 JUEVMMJARMXQBM-UHFFFAOYSA-N 405.487 3.196 0 40 HGAB Cc1ccc(NC(=O)CN(C)C(=O)c2ccc3c(c2)C(=O)N(CCC(C)C)C3=O)cc1 8376029 OPQYWLBEUJFONQ-UHFFFAOYSA-N 421.497 3.348 0 40 HGAB O=C(Nc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1F)c1cccc(Cl)c1 8810194 RYVYMPJFFPLTID-AWEZNQCLSA-N 412.870 3.189 0 40 HGAB Cc1cnc(NC(=O)[C@H]2Cc3ccccc3CN2S(=O)(=O)c2cccs2)s1 9396748 PMHRBVIZXFFSCN-OAHLLOKOSA-N 419.553 3.267 0 40 HGAB O=C(COC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1)Nc1cccc(F)c1 9540314 OWECCBMFWOAOIK-UHFFFAOYSA-N 418.380 3.422 0 40 HGAB CCOC(=O)c1nn(-c2ccc(C)cc2)c(=O)cc1NCc1ccc2c(c1)OCO2 9827969 PVRQOLWCMHAUNL-UHFFFAOYSA-N 407.426 3.058 0 40 HGAB Cc1nn(C)c(C)c1CC(=O)OCC(=O)NCc1ccc(-c2ccc(Cl)cc2)o1 10200178 LYXLNCRKSOARDB-UHFFFAOYSA-N 415.877 3.352 0 40 HGAB c1cc2c(cc1Nc1nc(Nc3ccc4c(c3)OCO4)nc(N3CCCC3)n1)OCO2 10213442 KHCDCXFHOHTHPH-UHFFFAOYSA-N 420.429 3.416 0 40 HGAB Cc1nc(COc2ccccc2C(=O)O[C@@H](C(=O)NC2CC2)c2ccccc2)no1 10561351 SLFAXDPPKNYFGU-HXUWFJFHSA-N 407.426 3.134 0 40 HGAB OC1(c2cccnc2)CCN(c2ncc(-c3cnccn3)c(-c3ccco3)n2)CC1 12089372 ILDULLHBWOVOOP-UHFFFAOYSA-N 400.442 3.077 0 40 HGAB CC1(C)Cc2nc(-c3ccncc3)ncc2[C@@H](NC(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)C1 12221118 LHQXRPCVKRCOSF-APWZRJJASA-N 421.545 3.315 0 40 HGAB Cc1ccccc1-n1ncc2c(C(C)C)nn(CC(=O)NC3CCCCC3)c(=O)c21 12229078 ATKTVORHDCGGOM-UHFFFAOYSA-N 407.518 3.463 0 40 HGAB Cc1nc(CC(=O)N2CCC[C@@H](c3nc4ccc(F)cc4cc3C(N)=O)C2)cs1 12255892 UFRPKRMCEINFLR-CYBMUJFWSA-N 412.490 3.186 0 40 HGAB CC(C)(C)OC(=O)N[C@H](CC(=O)O)[C@H]1CCCN(C(=O)OCc2ccccc2)C1 12648393 AMYNHEBCBXEIAG-DLBZAZTESA-N 406.479 3.403 0 40 HGAB COc1cc(/C=C/C(=O)N(C)Cc2nc3ccccc3c(=O)[nH]2)ccc1OC(C)C 12821729 GQQGLCSBCOUIMY-ZRDIBKRKSA-N 407.470 3.391 0 40 HGAB Cc1ccccc1N1CCN(CN2C(=O)N[C@@](C)(c3ccc4c(c3)CCC4)C2=O)CC1 13097764 BLTOBOVTUINLGB-VWLOTQADSA-N 418.541 3.030 0 40 HGAB O=C(c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)N1CCN(C(=O)C2CC2)CC1 14066868 RTQBDAXOOFNDDU-UHFFFAOYSA-N 418.472 3.373 0 40 HGAB CCOC(=O)c1c(C[S@](=O)c2cccc[n+]2[O-])oc2c(F)c(F)c(F)c(F)c12 16158868 XKLORINYMQPPGB-MUUNZHRXSA-N 417.336 3.107 0 40 HGAB CCN(CC(=O)NCc1cccs1)C(=O)CN(Cc1ccccc1F)C1CC1 16395575 GLZUVEPYERNTLR-UHFFFAOYSA-N 403.523 3.017 0 40 HGAB COCC(=O)N1CC[C@@](Cc2cccc(-c3ccc(C)cc3)c2)(C(=O)NC2CC2)C1 19212548 AHCQPZZROPBYDP-VWLOTQADSA-N 406.526 3.348 0 40 HGAB COc1ccc(C2(CNC(=O)Cc3ccc(-n4nnnc4C)cc3)CCCC2)cc1 19288449 POFKHSBTBGRUHS-UHFFFAOYSA-N 405.502 3.150 0 40 HGAB CCC[C@]1(C(=O)OC)N[C@@H](c2cccs2)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]21 19502073 GDKMBQIZOMERJG-IAGYGMIVSA-N 416.474 3.049 0 40 HGAB COCCC(=O)N1CCC[C@](Cc2ccc(-c3ccncc3)cc2)(C(=O)N(C)C)C1 19579063 NLQSPNOUDRINRJ-XMMPIXPASA-N 409.530 3.025 0 40 HGAB Cc1noc(C)c1C(=O)N[C@H](Cc1cc(=O)[nH]c(C2CCC2)n1)c1ccc(F)cc1 19580199 YMQPHZAPJMOWBO-GOSISDBHSA-N 410.449 3.495 0 40 HGAB CNc1cc([C@H](Cc2c[nH]c3ccccc23)NC(=O)Cn2cccn2)nc(C2CC2)n1 19592106 SIOSWYDTSNAAGF-IBGZPJMESA-N 415.501 3.174 0 40 HGAB CSc1ccccc1NC(=O)C(=O)NC[C@@H](c1cn(C)c2ccccc12)N(C)C 21698384 MHXCWTYTQGJWPL-IBGZPJMESA-N 410.543 3.258 0 40 HGAB CCCCCNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(OCC)cc1 22271711 MEJBSXDXNCWLMK-NRFANRHFSA-N 418.559 3.281 0 40 HGAB O=C(Cn1nc(C2CC2)c2cnn(-c3ccc(F)cc3)c2c1=O)Nc1cccc(F)c1 22768025 AKMJUTSBWZMSRU-UHFFFAOYSA-N 421.407 3.377 0 40 HGAB CCOC(=O)Cc1nnc(Sc2nc(-c3ccncc3)nc3ccccc23)n1C 24926588 LNLMOEOOKSYTEU-UHFFFAOYSA-N 406.471 3.077 0 40 HGAB CCNC(=O)NC(=O)[C@H](C)Sc1nc(N)c(-c2ccc(Cl)cc2)c(CC)n1 24987767 ABHAFZKXXOHTHI-JTQLQIEISA-N 407.927 3.268 0 40 HGAB COc1ccc([C@H]2CCCN2CC(=O)NCC(=O)Nc2ccc(F)c(F)c2F)cc1 25415607 KJRDZHYHOLSKGX-QGZVFWFLSA-N 421.419 3.004 0 40 HGAB O=C(Cn1cccc(C(F)(F)F)c1=O)OCc1cc(Cl)c2c(c1)OCCCO2 27714192 CYMAXZINASBVAF-UHFFFAOYSA-N 417.767 3.425 0 40 HGAB CC(=O)c1cccc(Nc2nnc(SCc3ccc(Cl)cc3)n(N)c2=O)c1 28536437 QFXNZSXYUGFJNG-UHFFFAOYSA-N 401.879 3.244 0 40 HGAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2ccccc2OC)cc1C 30332721 LVOPHARZLNYDFL-UHFFFAOYSA-N 406.504 3.052 0 40 HGAB Cc1ccccc1C(=O)N1CCC(C(=O)O[C@H](C)C(=O)N(C)c2ccccc2)CC1 32670155 SXQKCPORIAMEJM-GOSISDBHSA-N 408.498 3.442 0 40 HGAB Cc1cc(C)c2c(C)c(C(=O)Nc3cc(C)nn3[C@H]3CCS(=O)(=O)C3)sc2n1 32752844 CDJBQVFYGTZOFA-AWEZNQCLSA-N 418.544 3.338 0 40 HGAB COc1ccccc1[C@H](C)NC(=O)[C@H](CCSC)N1C(=O)[C@H]2CCCC[C@H]2C1=O 32808728 HKFHYHNYMCTSKW-OWLYRPNTSA-N 418.559 3.169 0 40 HGAB Cc1c(NC(=O)CCN2CCC[C@@H](C(F)(F)F)C2)c(=O)n(-c2ccccc2)n1C 32870764 ZHSFTMGSWJQYTF-OAHLLOKOSA-N 410.440 3.087 0 40 HGAB COc1ccc(Br)cc1CN(C)C(=O)c1c[nH]c2nc(C)ccc2c1=O 32921957 KZJYJUXXNROKGU-UHFFFAOYSA-N 416.275 3.275 0 40 HGAB CC(C)CCC[C@H](C)NC(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1 35277743 MUYIHJHDVDZVBS-RCCFBDPRSA-N 410.580 3.429 0 40 HGAB COc1ccc(-c2noc3nc(C)cc(C(=O)NCc4c(C)nn(C)c4C)c23)cc1 36619315 NOTVOLKGDQDYJN-UHFFFAOYSA-N 405.458 3.487 0 40 HGAB CCOC(=O)c1cnn(-c2cccc(NC(=O)CCNC(=O)c3ccccc3)c2)c1C 36759534 CIXRRWKXROMMQV-UHFFFAOYSA-N 420.469 3.116 0 40 HGAB CCn1c(=O)c2ccccc2n(CC(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)c1=O 40117499 XYXKLXBYRVTZGY-QFIPXVFZSA-N 423.488 3.370 0 40 HGAB COC(=O)c1cccc2c1CCCN2C(=O)CCc1nc(Cc2ccccc2)no1 40132554 HBLJFNYXFORPNC-UHFFFAOYSA-N 405.454 3.359 0 40 HGAB O=C(CN1CCC[C@H](C(=O)Nc2ccccn2)C1)Nc1ccc(OC(F)(F)F)cc1 40149564 QWVDCVRUYKQARR-AWEZNQCLSA-N 422.407 3.269 0 40 HGAB CCOC(=O)N1CCC(NC(=O)[C@@H](C)OC(=O)c2cc(Cl)cc(Cl)c2)CC1 42932362 NTXCVRXDSJIUHV-LLVKDONJSA-N 417.289 3.276 0 40 HGAB Cc1ccc(NC(=O)N(C)Cc2ccc(Br)cc2)cc1-n1cnnn1 44246678 DLVGHUSVSRZKJU-UHFFFAOYSA-N 401.268 3.397 0 40 HGAB COc1cc(NC(=O)[C@H]2CCCN(c3ccc(Cl)nn3)C2)cc(OC)c1OC 47977897 YCGOGBJGRZYTST-LBPRGKRZSA-N 406.870 3.011 0 40 HGAB COC(=O)C1=C(CN2CCC(Cc3ccccc3)CC2)NC(=O)N[C@H]1c1ccccc1 57414192 USYQTEPNQGYTFN-QHCPKHFHSA-N 419.525 3.422 0 40 HGAB COCCn1c(SCC(=O)Nc2ccc(F)cc2C)nc2ccsc2c1=O 57425852 RSWOQYHRZBTTIL-UHFFFAOYSA-N 407.492 3.283 0 40 HGAB Cc1cc(NC(=O)c2cc3cc(Cl)ccc3nc2C)n([C@@H]2CCS(=O)(=O)C2)n1 58132782 OTWJGPKIBCWBAN-OAHLLOKOSA-N 418.906 3.313 0 40 HGAB CCc1ccc(N2C(=O)[C@H]3N=NN(Cc4nc(-c5ccc(C)cc5)no4)[C@H]3C2=O)cc1 64557685 HXQROEYSWXQPRW-RBUKOAKNSA-N 416.441 3.101 0 40 HGAB CCOC(=O)c1ccc(NC(=O)c2cc3c([nH]c2=O)C[C@@H](c2ccco2)CC3=O)cc1 64959244 HSABFMCHMBXDLW-CQSZACIVSA-N 420.421 3.310 0 40 HGAB O=C(Cn1ncn2nc(-c3cccc4ccccc34)cc2c1=O)NC1CCCCC1 67208327 SFEQOMWDXWHYOJ-UHFFFAOYSA-N 401.470 3.160 0 40 HGAB COc1ccc(CCNC(=O)CN(C)c2nc3c(OC)cccc3s2)cc1OC 70973226 SBKDDKKAZFCZFI-UHFFFAOYSA-N 415.515 3.117 0 40 HGAB C[C@H]1CCc2noc(C3CCN(C(=O)CCn4ncc5ccccc5c4=O)CC3)c2C1 72392456 GEYGFSUOBWUYPI-INIZCTEOSA-N 420.513 3.306 0 40 HGAB COc1ccc(CN2CCN(C(=O)c3cccc4c3ccn4C)CC2)c(OC)c1OC 79492535 QCOSLXIJBODXQV-UHFFFAOYSA-N 423.513 3.162 0 40 HGAB Cc1ccc(N2C(=O)/C(=C\NCCCN3CCOCC3)c3ccccc3C2=O)cc1C 101189204 UTMCCGOUCKJNQE-QJOMJCCJSA-N 419.525 3.143 0 40 HGAB CCOC(=O)c1ccc(COc2ccc(N3C(=O)[C@@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2)o1 101460214 BXGYIWJXGMPZCM-AFHBHXEDSA-N 407.422 3.347 0 40 HGAB CCOC(=O)[C@@H]1CCCN([C@H](c2ccccc2F)c2sc3nc(C)nn3c2O)C1 102879011 VCNFHAROFXRDBR-CZUORRHYSA-N 418.494 3.308 0 40 HGAB COc1ccc(C)cc1S(=O)(=O)N1CCC(C(=O)NCc2ccc(C)cc2)CC1 108001387 WWAGFXBDRNKCCM-UHFFFAOYSA-N 416.543 3.029 0 40 HGAB COCCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1 222919591 LIWKUJSGTXJENM-GOSISDBHSA-N 400.494 3.328 0 40 HGAB S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2-c2ccncc2)N1C[C@@H]1CCCO1 223299352 VAWSLDHIIGMQII-IOMROCGXSA-N 405.527 3.419 0 40 HGAB COCCNC(=S)Nc1nc(N2CCC[C@H](C)C2)cc(N2CCCC[C@H]2C)n1 260732780 BECRUTLAZCUWHT-JKSUJKDBSA-N 406.600 3.025 0 40 HGAB Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)N[C@H](C)C(C)C)Oc3cc(C)ccc32)cc1 260905620 RDRSJGUMTCAOQF-UTKZUKDTSA-N 416.543 3.420 0 40 HGAB COCCN1CC[C@@]2(CN(Cc3sccc3C)C[C@H]2c2cn(C(C)C)cn2)C1=O 306136872 QFJZHKJMBUTWRL-AVRDEDQJSA-N 416.591 3.298 0 40 HGAB CS(=O)(=O)N(CC(=O)NC(c1ccccc1)c1ccccc1)c1cccc(F)c1 408601567 ANHUOJOGZVAIKC-UHFFFAOYSA-N 412.486 3.498 0 40 HGAB COc1ccc(NC(=O)c2cccc(NC(=O)[C@@H]3[C@H]4C[C@@H]5OC(=O)[C@@H]3[C@H]5C4)c2)cc1 408667987 QQXBZRVBWSHJNM-JALYJVOISA-N 406.438 3.084 0 40 HGAB COc1ccc(C(=O)N[C@H]2C(=O)N/[N+](=C\c3ccccc3C)[C@H]2c2ccccc2)cc1 409058876 LXTDSIBAAOJGBD-AYHYUOJHSA-O 414.485 3.020 0 40 HGAB O=C1CCC(=O)N(c2ccc(C(=O)Nc3ccc4[nH]c(-c5ccco5)nc4c3)cc2)N1 518612180 FZBNXBNAFXOPSG-UHFFFAOYSA-N 415.409 3.233 0 40 HGAB O=C(Nc1nc(-c2ccc3ccccc3n2)n[nH]1)[C@@H]1CC(=O)N(c2ccccc2F)C1 590408306 RYWVVCZXMRCZHC-CQSZACIVSA-N 416.416 3.151 0 40 HGAB O=C(CCn1cnc2ccccc21)N1CCC[C@](O)(COc2ccc(F)cc2)CC1 2037912622 QTUOBUIMHSMIJR-HSZRJFAPSA-N 411.477 3.388 0 40 HGAB CC1CCN([C@H]2CSC3(C2)CN(S(=O)(=O)c2ccc4ncsc4c2)C3)CC1 2056223629 WYPMSUWRBRNAPQ-OAHLLOKOSA-N 423.629 3.277 0 40 HGAB C[C@@H](CC(=O)Nc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1)c1ccccc1 815602 UJVXFANTWQJGTE-QFBILLFUSA-N 402.516 3.276 0 40 HGAB CNC(=S)N(Cc1ccc(F)cc1)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O 895705 SFLDYPCKSCEQMS-UHFFFAOYSA-N 415.490 3.191 0 40 HGAB COc1ccc(OC)c(NC(=O)Cn2nnc3sc(-c4ccccc4)cc3c2=O)c1 1320999 IDNIUICTRXTGKK-UHFFFAOYSA-N 422.466 3.176 0 40 HGAB COc1ccc(OC)c(Nc2cc3n(c(=O)n2)CCc2cc(OC)c(OC)cc2-3)c1 2126782 XROOFHCCIHUINC-UHFFFAOYSA-N 409.442 3.244 0 40 HGAB biogenic CCCCCCNC(=O)c1cn(CC)c2cc(N3CCN(C)CC3)c(F)cc2c1=O 2270013 UXQRJPIAEBOPAN-UHFFFAOYSA-N 416.541 3.222 0 40 HGAB COc1cc(-c2nc3c4cnn(-c5cccc(C)c5)c4ncn3n2)cc(OC)c1OC 2421386 NGHMXAWXIISQCH-UHFFFAOYSA-N 416.441 3.464 0 40 HGAB CC(C)CNS(=O)(=O)c1cc(C(=O)N2C[C@@H](C)O[C@H](C)C2)c(Cl)cc1Cl 2665053 MMMQAEUZHNVUFW-VXGBXAGGSA-N 423.362 3.177 0 40 HGAB CC[C@H](OC(=O)[C@@H](CC(C)C)NC(=O)c1ccccc1)C(=O)Nc1cc(C)on1 2759118 IQICGZBMGBHXCT-SJORKVTESA-N 401.463 3.088 0 40 HGAB COc1ccc(CCNC(=O)c2ccc(I)cc2)cc1OC 3093894 CCZALEGTCDPXPM-UHFFFAOYSA-N 411.239 3.281 0 40 HGAB COc1ccc(NC(=O)COC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1Cl 3262666 FGOYQILXLSGNHT-AWEZNQCLSA-N 412.870 3.230 0 40 HGAB O=C(COC(=O)CCCNC(=O)c1ccc(Cl)cc1)NCc1ccccc1Cl 3302979 GAHPGDAWUWUVOG-UHFFFAOYSA-N 423.296 3.363 0 40 HGAB Cc1cc(C(=O)COc2ccccc2C(N)=O)c(C)n1Cc1ccc2c(c1)OCO2 3406803 ABXKFYNMAFQXBZ-UHFFFAOYSA-N 406.438 3.243 0 40 HGAB CC(C)(C)NC(=O)NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccccc1 3421212 JUNGFXDBTJKNDH-UHFFFAOYSA-N 410.503 3.046 0 40 HGAB Cc1cccc(NC(=O)CN2N=N[C@H]3C(=O)N(c4ccc(C(C)C)cc4)C(=O)[C@H]32)c1C 4483861 JUSHDLQADJKNTH-RTWAWAEBSA-N 419.485 3.359 0 40 HGAB Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3cccc(Br)c3)C2=O)c1 4498395 ZYMJNAOYTPSKAT-MHWRWJLKSA-N 414.259 3.289 0 40 HGAB CC(C)Oc1ccc(N2C[C@H](C(=O)Nc3ccccc3C(=O)NC3CC3)CC2=O)cc1 5060654 RMQMBCAHYSNTMC-MRXNPFEDSA-N 421.497 3.358 0 40 HGAB COC(=O)c1ccccc1NC(=O)COCc1cc(-c2ccc3c(c2)OCO3)on1 6876243 POGPCEPABHQGNC-UHFFFAOYSA-N 410.382 3.012 0 40 HGAB O=C(Cc1ccc(Cl)c(Cl)c1)N(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 7405996 KQVXNJIRBAMZAM-CYBMUJFWSA-N 402.299 3.345 0 40 HGAB Cn1cnnc1SCC(=O)Nc1ccc(C(=O)N[C@@H]2CCCc3ccccc32)cc1 7435403 QXFALIPGNHOJEA-LJQANCHMSA-N 421.526 3.353 0 40 HGAB Cc1nn(-c2ccccc2)c(C)c1CC(=O)O[C@@H](C)C(=O)Nc1ccc2c(c1)OCO2 7531595 YJFFPNDONNYUKX-INIZCTEOSA-N 421.453 3.331 0 40 HGAB CC(C)[C@H](NC(=O)CSc1nnc(C2CC2)n1C)c1ccc2c(c1)OCCCO2 8323871 FTGIKSBBJVJGIV-IBGZPJMESA-N 416.547 3.459 0 40 HGAB CC(=O)Nc1ccc(SCC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)cc1 8923211 GPYCTPKMZQBRKS-UHFFFAOYSA-N 412.920 3.433 0 40 HGAB COc1ccc(C)cc1NC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCCC2)c1 9063779 GFFGFBYCLDOJFY-UHFFFAOYSA-N 418.515 3.439 0 40 HGAB COc1ccc(OC)c(N/C(C)=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c1 9111504 LSBCEAXFFPMNTN-BOPFTXTBSA-N 415.833 3.326 0 40 HGAB CC1=C(C(=O)N2CCOCC2)[C@@H](c2ccc(Cl)cc2Cl)n2nc(C)nc2N1 10157078 PJECQQWFNMBCJK-MRXNPFEDSA-N 408.289 3.041 0 40 HGAB CCOc1ccc(CNC(=O)CN(c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)cc1 10448912 XKDILZMSBLXQBM-UHFFFAOYSA-N 418.559 3.465 0 40 HGAB O=C(CN(Cc1ccco1)[C@H]1CCS(=O)(=O)C1)Nc1c(Cl)cccc1Cl 10833987 ZCLQHYCHYDTMOR-LBPRGKRZSA-N 417.314 3.214 0 40 HGAB O=C(NCCOc1ccc2nnc(-c3cccc(F)c3)n2n1)c1c(F)cccc1F 11693866 XEZYIJBNKGIAKT-UHFFFAOYSA-N 413.359 3.017 0 40 HGAB CCOc1ccc(OCC(=O)N2CCN(c3nccn3-c3ccccc3F)CC2)cc1 11695695 SSQUWBXWUDBDFE-UHFFFAOYSA-N 424.476 3.138 0 40 HGAB O=C(c1cccs1)[C@H]1[C@H](c2ccc(F)cc2)NC(=S)N[C@@]1(O)C(F)(F)F 11990818 STEYOCFEPKCBKG-XUJVJEKNSA-N 404.410 3.156 0 40 HGAB COc1cccc(Cn2c3cc(C)sc3c3cnn(CC(=O)NC4CC4)c(=O)c32)c1 12113545 OIKOCZUKKPNPND-UHFFFAOYSA-N 422.510 3.057 0 40 HGAB O=C(Cc1ccc2c(c1)OCO2)N1CCC(n2nc(-c3cccs3)ccc2=O)CC1 12183995 CTSIRKBXAAZIBW-UHFFFAOYSA-N 423.494 3.107 0 40 HGAB Cc1cc(NC(=O)c2ccc(S(=O)(=O)N(CC(C)C)CC(C)C)cc2)n(C)n1 12443972 OOFJPEAULKLEMC-UHFFFAOYSA-N 406.552 3.284 0 40 HGAB CCCCN(Cn1ncn(-c2cccc(Cl)c2)c1=S)[C@H]1CCS(=O)(=O)C1 12516790 SHUPTCOIQKYVKZ-INIZCTEOSA-N 414.984 3.303 0 40 HGAB CCN(C(=O)c1ccccc1SCc1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 12601382 XENZSVJMRLMZKZ-OAHLLOKOSA-N 408.545 3.233 0 40 HGAB CCC(C)(C)n1nnnc1[C@@H](c1cc2cc(OC)ccc2[nH]c1=O)N1CCC[C@@H](C)C1 12712427 GEZQCTLFWVYDGB-FOIQADDNSA-N 424.549 3.490 0 40 HGAB Cc1nonc1CC(=O)N1CC[C@@H](c2cc3nc(C(C)C)cc(C(F)(F)F)n3n2)C1 12748200 MDWBGJGYIPRDIZ-GFCCVEGCSA-N 422.411 3.122 0 40 HGAB CCCn1c(=O)n(C[C@H](O)COc2ccc(Br)cc2)c2ccccc21 12816644 AEGRENDWQHRFDL-HNNXBMFYSA-N 405.292 3.415 0 40 HGAB O=C(NC1CC1)c1ccc(NC(=O)c2ccccc2I)cc1 12912149 MOILSZXPHMLZRI-UHFFFAOYSA-N 406.223 3.436 0 40 HGAB C[C@@]1(c2ccccc2)NC(=O)N(NC(=O)c2cccc(OCc3ccccc3)c2)C1=O 12985207 BTONNEYNYWAKCC-DEOSSOPVSA-N 415.449 3.378 0 40 HGAB CCOc1ccc(CCNC(=O)CCNC(=O)NCc2ccccc2)cc1OCC 13000986 MXGNAJLCHFNUMA-UHFFFAOYSA-N 413.518 3.032 0 40 HGAB COc1ccc(-c2csc(NC(=O)[C@H]3CS[C@]4(C)CCC(=O)N34)n2)c(OC)c1 13004087 ONFAVXXIUYCHSF-AUUYWEPGSA-N 419.528 3.220 0 40 HGAB COc1cc(CC(=O)Nc2cc(Cl)ccc2N2CCOCC2)cc(OC)c1OC 13068945 MICHAGQQCMJMIT-UHFFFAOYSA-N 420.893 3.384 0 40 HGAB CC[C@H](C(=O)Nc1ccc(C(=O)OC)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O 13712081 RFCORPFVJXKIGI-QGZVFWFLSA-N 424.906 3.310 0 40 HGAB Cc1nn(-c2ccc(F)cc2)c2nc3c(cc12)CN(C[C@@H]1COC(C)(C)O1)C(=O)O3 13993033 JSLTZHJZOFISPH-MRXNPFEDSA-N 412.421 3.334 0 40 HGAB CCc1cc(C(=O)N2CCC(c3cc(C(=O)NCc4cccs4)on3)CC2)no1 19522594 VTJRIPKBUZVALP-UHFFFAOYSA-N 414.487 3.236 0 40 HGAB Cc1ncncc1C(=O)NCCn1nc(-c2ccc(F)cc2)cc1-c1cccnc1 19553025 JPCXVJRWWHDBQU-UHFFFAOYSA-N 402.433 3.280 0 40 HGAB CNC(=O)[C@@]1(Cc2ccccc2-c2ccccc2)CCN(C(=O)CCn2cccn2)C1 19591454 BRAPAVNGPMZALE-RUZDIDTESA-N 416.525 3.148 0 40 HGAB Cc1nc([C@@H]2CCCN(S(C)(=O)=O)C2)nc2c1CCCN2Cc1ccc(F)cc1 19706708 SBGAUNOZZUNNIO-QGZVFWFLSA-N 418.538 3.016 0 40 HGAB COc1ccc(Cn2nnnc2[C@@H](CC(C)C)N2CCN(C3CCCC3)CC2)cc1 20141391 XPBHBAUGUJNIHZ-JOCHJYFZSA-N 412.582 3.377 0 40 HGAB C/C(NCCc1c[nH]c2ccccc12)=C1/C(=O)NC(=O)N(c2ccccc2C)C1=O 20290793 RBEWJRDIYWOBAF-HMMYKYKNSA-N 402.454 3.165 0 40 HGAB CCc1ccccc1NC(=O)CN1CCN(Cc2nc(-c3ccccc3)no2)CC1 20812944 JLBCRSKGYKUDMK-UHFFFAOYSA-N 405.502 3.055 0 40 HGAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)CSc1ccc(OC)c(OC)c1 22524659 HVVFTIGLULYYQF-UHFFFAOYSA-N 421.471 3.238 0 40 HGAB O=C(CN1CCN(Cc2ccc3c(c2)CCO3)CC1)Nc1ccc(F)c(Cl)c1 22804961 GSVPNNFFZLOTAF-UHFFFAOYSA-N 403.885 3.170 0 40 HGAB CCOC(=O)C1=C(CN2CCCc3cccc(F)c32)NC(=O)N[C@@H]1c1ccccc1 22846941 LZGQOHCICQEVNI-HXUWFJFHSA-N 409.461 3.450 0 40 HGAB CCc1nc2sc([C@H](c3cccc(F)c3)N3CCC(C(=O)OC)CC3)c(O)n2n1 22853621 IIHUAEOOGYULKX-INIZCTEOSA-N 418.494 3.172 0 40 HGAB CCOc1ccc(S(=O)(=O)NCC2CCN(Cc3cccs3)CC2)cc1F 23127734 HZBUSYLLCWEWBF-UHFFFAOYSA-N 412.552 3.476 0 40 HGAB O=C(c1c[nH]c2ccccc12)[C@@H](c1ccccc1)N1CCN(C(=O)[C@H]2CCCO2)CC1 23882599 KACHAZHWXLYSEA-DHIUTWEWSA-N 417.509 3.415 0 40 HGAB CCc1nc(CN2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cs1 23903588 OFCURXVYWGGVTK-UHFFFAOYSA-N 401.557 3.365 0 40 HGAB Cc1ccc(S(=O)(=O)NCc2cccc(Cn3ccnc3)c2)c(Br)c1 24687544 DWTWHQUTHMJEEF-UHFFFAOYSA-N 420.332 3.481 0 40 HGAB CCCC[C@@H](CC)CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(OC)cc2)C1 29708418 XQKBUAMBBOHLHX-QZTJIDSGSA-N 410.580 3.429 0 40 HGAB C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)N1CCN(C(=O)[C@H]2CCCO2)CC1 33039548 ARWARIRIZMKRDT-PGRDOPGGSA-N 407.514 3.004 0 40 HGAB COc1ccc(CN(C)CN2C(=O)N[C@@]3(C[C@H](C)CC(C)(C)C3)C2=O)c(OC)c1 34896087 BMAZDLGGYZPHGF-IVZQSRNASA-N 403.523 3.230 0 40 HGAB C[C@@H]1CCCC[C@@]12NC(=O)N(C[C@H](O)COc1ccc(Cl)cc1Cl)C2=O 36398655 AXVIALSWJUFTQA-SUFBMKPHSA-N 401.290 3.234 0 40 HGAB COc1ccc2sc(N(Cc3cccnc3)C(=O)c3cn(C)nc3OC)nc2c1 36676183 SFBFBMOLVLOABS-UHFFFAOYSA-N 409.471 3.289 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc2oc3c(c(C)nn3-c3ccccc3)c(=O)c2c1 40156630 ZUPPGEHTZKTFNN-UHFFFAOYSA-N 411.483 3.471 0 40 HGAB Cc1ccccc1C(=O)NC1CCN(c2ccc(S(=O)(=O)C(F)F)cc2)CC1 48289312 UIUHBKUBBVJQKT-UHFFFAOYSA-N 408.470 3.390 0 40 HGAB Cc1ccc(-c2noc(CN3N=N[C@H]4C(=O)N(c5ccc(C)c(C)c5)C(=O)[C@@H]43)n2)cc1 49002730 VATKVPBORYPHSU-RTBURBONSA-N 416.441 3.155 0 40 HGAB CCNC(=O)c1ccc(Cl)cc1NCC(=O)N1c2ccccc2NC(=O)C[C@H]1C 55874435 RETOQIQBTUTIIG-CYBMUJFWSA-N 414.893 3.266 0 40 HGAB C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)Nc1cnc(C(C)(C)C)nc1 58406709 NWWHBGFZDGSDNV-SECBINFHSA-N 411.325 3.355 0 40 HGAB COC(=O)Nc1ccc(NC(=O)C[C@](O)(c2nc(C)cs2)C(F)(F)F)cc1 58810614 WWAYBXRKUIBZFH-HNNXBMFYSA-N 403.382 3.409 0 40 HGAB COc1ccc(Br)cc1S(=O)(=O)Nc1cc(C(=O)O)c(F)cc1F 65520969 VAAOMCRIBXNLQR-UHFFFAOYSA-N 422.203 3.235 0 40 HGAB O=C(NCc1ccc(C(F)(F)F)cc1)[C@H]1CCCN1S(=O)(=O)c1cccs1 71850196 IKDMZGYMDKQYKM-CQSZACIVSA-N 418.462 3.236 0 40 HGAB Cc1cc(CNC(=O)OC(C)(C)C)cnc1N1CCN(C(=O)OC(C)(C)C)CC1 72222608 PXSBCETZZIRMGS-UHFFFAOYSA-N 406.527 3.472 0 40 HGAB CS(=O)(=O)c1cccnc1[C@@H]1CCCN(Cc2cc(Cl)c3c(c2)OCO3)C1 72394285 AUYUNGZMUCEUMS-CQSZACIVSA-N 408.907 3.247 0 40 HGAB O=C(OCCNC(=O)c1cc2c(s1)CCCC2)c1cncc(Br)c1 84338577 IGJPWUQGDGATJW-UHFFFAOYSA-N 409.305 3.371 0 40 HGAB O=C(Nc1nc2c(s1)CN(C(=O)c1ccc3nsnc3c1)CC2)c1ccoc1 90582658 QLDGEIJDSNUVTB-UHFFFAOYSA-N 411.468 3.192 0 40 HGAB Cc1ccc(C(=O)COC(=O)C2CCC(N3C(=O)[C@H]4[C@H]5CC[C@@H](C5)[C@@H]4C3=O)CC2)cc1 101226594 QFQNABIZLIPWHD-RLHDXQJOSA-N 423.509 3.311 0 40 HGAB COc1ccc([C@@H]2[C@H]3C(=O)N(c4c(C)cc(C)cc4C)C(=O)[C@@H]3N3CCCN23)cc1 102682379 DPVCZYOJVPHRRJ-CEMLEFRQSA-N 405.498 3.156 0 40 HGAB COc1cc(C(C)=O)ccc1OCC(=O)OCC(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 102782245 OZFVEOGHJFHOPH-HXOBKFHXSA-N 417.502 3.247 0 40 HGAB COc1cccc(CN(C)C(=O)C23C[C@@H]4C[C@H](CC(NC(C)=O)(C4)C2)C3)c1OC 102818569 PEYDRGUEBFKZRC-PQJGELLGSA-N 400.519 3.137 0 40 HGAB COc1ccc(C(=O)NC2CCN(c3cc(C(F)(F)F)nc(C)n3)CC2)cc1F 169772267 FZYPWGSJBHAHTR-UHFFFAOYSA-N 412.387 3.350 0 40 HGAB COc1cccc(-c2noc(CNC(=O)COc3ccc(Br)cc3)n2)c1 218819936 DADNEIUDODORRU-UHFFFAOYSA-N 418.247 3.203 0 40 HGAB COc1ccc(-c2noc(CNC(=O)[C@H](C)Oc3cc(C)ccc3C)n2)c(OC)c1 219075789 LRKWMOUCRYTIGU-HNNXBMFYSA-N 411.458 3.454 0 40 HGAB COc1ccc(C(=O)N(Cc2ccccc2)Cc2ccccc2)cc1S(N)(=O)=O 223038466 DCQSJHJFEYXFPR-UHFFFAOYSA-N 410.495 3.185 0 40 HGAB C[C@@H](NS(=O)(=O)c1nnc(NC(=O)c2ccccc2Cl)s1)c1ccccc1 223353271 ULDAKJXXNRFSSA-LLVKDONJSA-N 422.919 3.483 0 40 HGAB COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccn(-c2ccccc2)c1 223706592 KQVHYEASUBAKEB-RTWAWAEBSA-N 406.511 3.408 0 40 HGAB COc1cc(C)c(S(=O)(=O)N(C)Cc2nc(-c3ccccc3C)no2)cc1C 224478646 XDTUVEHNFTUSQN-UHFFFAOYSA-N 401.488 3.491 0 40 HGAB CCOC(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccc(OC)c(Cl)c1 224951583 IBABYOGGHJLGJH-UHFFFAOYSA-N 413.879 3.116 0 40 HGAB CC[C@@H](NC(=S)Nc1ccc(C(=O)N(C)C)cc1)c1ccc(S(C)(=O)=O)cc1 225725665 RLHUDWXXHDKCTF-GOSISDBHSA-N 419.572 3.230 0 40 HGAB O=S(=O)(c1cccc2ccccc12)N1CCN(c2cc(C(F)(F)F)ncn2)CC1 225731744 SRBHKUCMFHPBFA-UHFFFAOYSA-N 422.432 3.160 0 40 HGAB CC1=NS(=O)(=O)c2cc(C(=O)N3CCOc4ccccc43)ccc2N1CC(C)C 225867437 UGCWRMAYZDQZMQ-UHFFFAOYSA-N 413.499 3.309 0 40 HGAB Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccco2)N2CCSCC2)cc1Cl 245170790 XGQWUBJYVVPWJZ-INIZCTEOSA-N 407.923 3.086 0 40 HGAB CC(=O)N1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)N2C(=O)c1nccn1C 257202802 ANMFTSOPQNXCAY-FPFQSLQCSA-N 406.530 3.035 0 40 HGAB Cc1onc(C(C)C)c1C(=O)N1CCC[C@](COc2ccc(F)cc2)(CC(N)=O)C1 257211173 BXTRNVWDEAQCDS-QFIPXVFZSA-N 417.481 3.422 0 40 HGAB Cc1ccc(OC[C@@H](O)CN(C)Cc2ccc(OCCn3cccn3)cc2)c(C)c1 257220999 DNDHGTRDTFWNNR-QFIPXVFZSA-N 409.530 3.451 0 40 HGAB CCCN1CCN(C(=O)c2ncc[nH]2)C[C@H](Cc2ccccc2-c2cccnc2)C1=O 257320692 VYCDCYVLKHMQDR-FQEVSTJZSA-N 417.513 3.025 0 40 HGAB CN1CC[C@@H](COc2ncccc2F)CC12CN(C(=O)c1cc3ccccc3[nH]1)C2 306138655 SDQLWUHQFHIJID-MRXNPFEDSA-N 408.477 3.317 0 40 HGAB O=C(COC(=O)CCC(=O)NC1CCCCC1)Nc1ccccc1C(F)(F)F 408644828 HPKCZOBUDIZZAD-UHFFFAOYSA-N 400.397 3.416 0 40 HGAB C[C@@H]1C=CC[C@H]2C(=O)N(c3cccc(C(=O)Nc4ccccc4C(=O)O)c3)C(=O)[C@H]12 408671856 LRNPJAWJMANISB-OMWUSAIZSA-N 404.422 3.339 0 40 HGAB Cc1ccc(CNC(=O)CN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)cc1 409026507 QYDMZHJZUOVRPL-UHFFFAOYSA-N 401.315 3.384 0 40 HGAB CC(=O)Oc1ccc(C(=O)COC(=O)CCC(=O)Nc2cccc3cccnc23)cc1 409177729 IFDRTCFEPBPYFJ-UHFFFAOYSA-N 420.421 3.305 0 40 HGAB FC(F)(F)c1cc(Cl)c2nnc(CNCc3ccccc3-n3cncn3)n2c1 588690770 HCDVPJFFECAFRQ-UHFFFAOYSA-N 407.787 3.272 0 40 HGAB COC(=O)c1ccc([C@@H]2C3=C(CN(C(C)=O)C3=O)Nc3cccc4c3c2cn4C)cc1 604405751 VHCWNYOEPCJHQN-FQEVSTJZSA-N 415.449 3.165 0 40 HGAB biogenic O=C(c1ccccc1SC(F)F)N1CCC(N2CC(=O)N(C3CC3)C2=O)CC1 618255607 GHZDHDXPIUPCHF-UHFFFAOYSA-N 409.458 3.033 0 40 HGAB CN(Cc1ccccn1)C(=O)[C@H]1C[C@@H]2CCN(C(=O)c3cccc(Cl)c3)C[C@H]2O1 2055731570 FTMYEPDCOVKWFS-CWFSZBLJSA-N 413.905 3.013 0 40 HGAB COc1ccccc1-c1nc(S(=O)(=O)c2ccc(C)cc2)c(N2CCOCC2)o1 730292 ZZRIYPCTWMIGCF-UHFFFAOYSA-N 414.483 3.328 0 40 HGAB Cc1cn(CCCCCCOc2c3occc3cc3ccc(=O)oc23)c(=O)[nH]c1=O 1587235 ZASJXZXSIHVXBV-UHFFFAOYSA-N 410.426 3.337 0 40 HGAB Cc1ccccc1-n1c(SCC(=O)NCC(F)(F)F)nc2ccccc2c1=O 2624689 JHIRMUPOZKXVQG-UHFFFAOYSA-N 407.417 3.465 0 40 HGAB Nc1c(C(=O)Nc2ccc(F)c(F)c2)nnn1Cc1ccc(Br)cc1 4852368 AMUGAANZYLZNAT-UHFFFAOYSA-N 408.206 3.202 0 40 HGAB Cc1ccc2c(c1)C[C@@]1(CN2C)C(=O)NC(=O)N(c2cccc(C(F)(F)F)c2)C1=O 5750775 CFAXCZDWLWVYAF-HXUWFJFHSA-N 417.387 3.276 0 40 HGAB O=C(COC(=O)c1c2c(nc3ccccc13)CCCC2)NC(=O)NC1CCCCC1 5753385 MQIYSZCMVNXHBJ-UHFFFAOYSA-N 409.486 3.429 0 40 HGAB CCc1ccccc1NC(=O)COC(=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1 5878649 FTRKNZGBODXSDZ-HNNXBMFYSA-N 400.862 3.437 0 40 HGAB CCOc1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(OC)cc2)C1 6439890 XZSZWDOWTUNYKZ-INIZCTEOSA-N 418.515 3.133 0 40 HGAB CCOc1cc([C@H]2c3c(oc4cc(C)cc(C)c4c3=O)C(=O)N2CCCO)ccc1O 6743344 VYGWVLJZCJPEQG-NRFANRHFSA-N 423.465 3.442 0 40 HGAB CCCCOc1cccc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCO)c1 6753041 QPEXOHYNEWXCGS-JOCHJYFZSA-N 407.470 3.499 0 40 HGAB CN(C(=O)COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)[C@@H]1CCS(=O)(=O)C1 6788285 LMMZDBUPQIMBOC-ZTLYHTANSA-N 417.571 3.179 0 40 HGAB CCCOc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3cccc(C)c3)CC2=O)cc1 6881019 VANKRZSVQJQQAL-KRWDZBQOSA-N 410.470 3.319 0 40 HGAB CC(C)N(CC(N)=O)C(=O)/C=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 7016075 MMDFQTQFKWKVOP-JLHYYAGUSA-N 406.461 3.414 0 40 HGAB O=C(Cc1cccc(C(F)(F)F)c1)N(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 7406006 NJGQGVVMZLESSA-OAHLLOKOSA-N 401.406 3.057 0 40 HGAB CC(C)Cn1nc(C(=O)Nc2cccc(C(=O)NC3CC3)c2)c2ccccc2c1=O 8231957 VANZHPQVRNRXKH-UHFFFAOYSA-N 404.470 3.197 0 40 HGAB O=C(/C=C/c1c(F)cccc1Cl)N1CCN(S(=O)(=O)c2ccccc2)CC1 8240466 GYCSBICGFQUBJR-MDZDMXLPSA-N 408.882 3.025 0 40 HGAB Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)cc1 8403591 XSZYLUAHRHGSJC-UHFFFAOYSA-N 416.499 3.296 0 40 HGAB CN(C1CCCCC1)S(=O)(=O)c1ccccc1NC(=O)CSc1nccn1C 8778703 ZKTUJYIMTQQFFG-UHFFFAOYSA-N 422.576 3.104 0 40 HGAB CC1(C)NC(=O)N(CCCC(=O)OCc2ccc(C(=O)Nc3ccccc3)cc2)C1=O 9591599 RTTRSMOCZKVDMU-UHFFFAOYSA-N 423.469 3.093 0 40 HGAB Cc1ccc(NC(=O)CSc2nccn(-c3ccc4c(c3)OCCO4)c2=O)cc1 9761349 DRKRFKZNPMOGHM-UHFFFAOYSA-N 409.467 3.043 0 40 HGAB C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)OCc1c(Cl)cccc1Cl 9996166 DNMMWGBKTBIWDW-JTQLQIEISA-N 413.282 3.164 0 40 HGAB COc1cn(CC(=O)Nc2cc(C)ccc2C)c(CSc2ncccn2)cc1=O 10254880 QXHFKPUXHDMCMF-UHFFFAOYSA-N 410.499 3.195 0 40 HGAB CCc1cc(O)n2nc([C@@H]3CCCN(C(=O)[C@H](C)Cn4nc(C)c(C)c4C)C3)cc2n1 12134698 ZWIFYTSAJMUKSK-RDTXWAMCSA-N 424.549 3.161 0 40 HGAB Cc1nnsc1C(=O)N1CCC(c2nc3sc4c(c3c(=O)[nH]2)CCCC4)CC1 12157809 NJRFUXVSTDRWHJ-UHFFFAOYSA-N 415.544 3.043 0 40 HGAB CN1CCC(N2CCC(C(=O)N[C@@H](Cc3cccs3)c3nccs3)CC2)CC1 12226072 GOYPSWOTNHNGOY-IBGZPJMESA-N 418.632 3.411 0 40 HGAB C[C@H]1CCC[C@@H](C)N1C(=O)CN1C(=O)COc2ccc(C(=O)c3cccs3)cc21 12239739 DFKGQMLCNDEFJS-GASCZTMLSA-N 412.511 3.494 0 40 HGAB COc1ccccc1/C=C/C(=O)Nc1ccc(N2CCOCC2)cc1N1CCOCC1 12606873 BRDJYQCJWSOXAC-RMKNXTFCSA-N 423.513 3.020 0 40 HGAB O=C(C[S@@](=O)CCOc1cccc(Br)c1)NCC1CCCCC1 12906762 YFDAYBWDKLFGGF-HSZRJFAPSA-N 402.354 3.273 0 40 HGAB COc1ccc([C@H](CNC(=O)N[C@@H](C)c2ccccc2)N2CCOCC2)cc1OC 12981718 WLLXCEGJWMEBKX-PXNSSMCTSA-N 413.518 3.138 0 40 HGAB COc1ccc(-n2c(SCC(N)=O)nc3sc4c(c3c2=O)CCCS4)cc1 13000704 KITCODUGEWEAMZ-UHFFFAOYSA-N 419.553 3.072 0 40 HGAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)Cc1cnn(-c2ccccc2)c1 13013448 JUJGLLBWLAHFGX-KRWDZBQOSA-N 403.486 3.068 0 40 HGAB COc1cccc(N2C(=O)C[C@H](Sc3nnc4sc5ccccc5n34)C2=O)c1 13638512 TWUKCXHFLSZDSO-HNNXBMFYSA-N 410.480 3.377 0 40 HGAB O=C(COc1ccc2nc3n(c(=O)c2c1)CCCCC3)NCc1ccc(Cl)cc1 13690032 NOMRFSVWHRELPC-UHFFFAOYSA-N 411.889 3.472 0 40 HGAB O=C(Nc1nc2c(s1)CCCCC2)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 14554339 JJSZTLHXPSDGLC-ZDUSSCGKSA-N 413.499 3.175 0 40 HGAB CCCCc1ccc(NC(=O)Cn2nc(C(=O)Nc3ccccc3)ccc2=O)cc1 15884292 XGOPGXZEOUCKOZ-UHFFFAOYSA-N 404.470 3.477 0 40 HGAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](C)CCc2ccccc2)cc1C 16692190 FALVLBWCOHERES-SFHVURJKSA-N 418.559 3.152 0 40 HGAB COc1ccc(-c2ccc(=O)n(Cc3nc(-c4cc(OC)cc(OC)c4)no3)n2)cc1 16844861 OAWAIFMRBDFKHV-UHFFFAOYSA-N 420.425 3.034 0 40 HGAB Cc1ccc2c(c1)C(=O)N([C@@H](C)C(=O)N[C@H](c1ccc3c(c1)OCCO3)C(C)C)C2=O 17368197 GXHQVJUXLJOIRI-BTYIYWSLSA-N 422.481 3.264 0 40 HGAB C[C@H](Oc1ccccc1F)C(=O)N1CC[C@H](c2cc(O)nc(-c3ccccn3)n2)C1 19077656 ZGSSUQIKRBYDCN-GJZGRUSLSA-N 408.433 3.167 0 40 HGAB Cc1ccc(-c2ccccc2C[C@H]2CN(S(=O)(=O)C(C)C)CCNC2=O)c(C)c1 19132903 QXXFLKGKWKCOBR-FQEVSTJZSA-N 414.571 3.299 0 40 HGAB CCc1nc(C)cc(N2CCN(C(=O)c3ccc(F)c(-n4nc(C)cc4C)c3)CC2)n1 19523143 NAPGIHDPTGXINF-UHFFFAOYSA-N 422.508 3.251 0 40 HGAB COc1cccc([C@H]2CCCN2C(=O)c2cc3nccc(-c4cnn(C)c4C)n3n2)c1 19719028 NOCWTSDLFUISFG-HXUWFJFHSA-N 416.485 3.424 0 40 HGAB COc1ccc(CN2C(=O)Cc3c(C)nc([C@H]4CCCN(C(=O)C(C)C)C4)nc32)cc1 19744541 TWFMXABLTIMWIQ-SFHVURJKSA-N 422.529 3.245 0 40 HGAB COC(=O)C1=C(C)N(c2ccccc2)C(=O)C[C@@H]1C(=O)Nc1ccc(NC(C)=O)cc1 19819034 KTQXTVYESOQANH-IBGZPJMESA-N 421.453 3.084 0 40 HGAB COc1ccc(Cl)cc1S(=O)(=O)NCCc1csc(-c2ccncc2)n1 19942584 XPWVBQPLGUGDOZ-UHFFFAOYSA-N 409.920 3.388 0 40 HGAB COc1ccc([C@H](C)NC(=O)CCc2ccc(S(=O)(=O)NCC(C)C)cc2)cc1 20023514 ZAEQVBPIDWLBST-KRWDZBQOSA-N 418.559 3.440 0 40 HGAB O=C1C[C@@H](c2cccc(Cl)c2)[C@@H](n2cncn2)C(=O)[C@@H]1[C@@H]1NCCc2ccccc21 20218667 YACGSFQFKLDZPH-VXSCBNMQSA-N 420.900 3.302 0 40 HGAB C[C@H]1CCC=C2C[C@H]3OC(=O)[C@H](CN4CCN(C5CCCCC5)CC4)[C@H]3[C@@H](O)[C@@]21C 20411338 FXYPTAKKGKQTFF-DBPOXSKKSA-N 416.606 3.222 0 40 HGAB COc1ccc(C2(CNC(=O)C(=O)Nc3ccc(OC)cc3OC)CCCC2)cc1 21691577 QNZCNWUTQTZYQE-UHFFFAOYSA-N 412.486 3.279 0 40 HGAB C[C@]1(C2CC2)NC(=O)N(CC(=O)Nc2nc(-c3ccc(Cl)s3)cs2)C1=O 23227130 HJXQIKATHMFVGB-MRXNPFEDSA-N 410.908 3.184 0 40 HGAB Cc1cccc(-n2nnnc2SCC(=O)NC(=O)NCCC2=CCCCC2)c1C 24271039 KYXIVSMWCWSLPD-UHFFFAOYSA-N 414.535 3.088 0 40 HGAB CCOC(=O)N1CCC[C@@H](C(=O)Nc2ccccc2C(=O)NCCc2ccccc2)C1 24833888 YPHYDLCRHFBFTL-LJQANCHMSA-N 423.513 3.466 0 40 HGAB COc1ccc(N[C@@H]2CC(=O)N(c3ccccc3Br)C2=O)c(OC)c1 28051053 FTQSQAQFDPSAOW-CQSZACIVSA-N 405.248 3.210 0 40 HGAB O=C(CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)Nc1ccccc1N1CCc2ccccc21 31532499 NAORTVDTTLTIDW-QZTJIDSGSA-N 401.466 3.271 0 40 HGAB O=C1C[C@@H](C(=O)N(Cc2cccnc2)C2CC2)CN1c1ccccc1Br 31899980 WXKOUIUWDGIJJN-OAHLLOKOSA-N 414.303 3.388 0 40 HGAB CN(C)[C@@H](CNC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1)c1cccc(F)c1 32795269 LPUZKUBQUBNCIT-KXBFYZLASA-N 403.885 3.251 0 40 HGAB O=C(Cc1cc(Cl)c2c(c1)OCCO2)NCc1ccc(N2CCCC2=O)cc1 32845845 LXIBJXMDFWLYHZ-UHFFFAOYSA-N 400.862 3.097 0 40 HGAB CCOc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(C)c(F)c3)[nH]n2)cc1 32984992 HRHAGIRIQVZMLC-UHFFFAOYSA-N 418.450 3.309 0 40 HGAB C[C@@H](NC(=O)CNC(=O)Cc1ccccc1)c1cccc(NC(=O)c2ccccc2)c1 36391539 XRZIJEOPKYKILF-GOSISDBHSA-N 415.493 3.475 0 40 HGAB CCOc1ccc(N2C[C@H](C(=O)NCCCCN3CCCC[C@@H]3C)CC2=O)cc1 40108152 QXHIVMDJNHJBNT-RBUKOAKNSA-N 401.551 3.209 0 40 HGAB CCCCCCN(CCN1CCOCC1)S(=O)(=O)c1cccc2cc(C)cnc12 48310043 IVDWKFDNSMMHJA-UHFFFAOYSA-N 419.591 3.446 0 40 HGAB CCc1ccc(NC(=O)CN2C(=O)N[C@@H](c3ccc(C)cc3)C3=C2COC3=O)cc1 49402848 LDNPVEXUDQENHX-NRFANRHFSA-N 405.454 3.073 0 40 HGAB O=S(=O)(NCc1ccc(Cn2ccnc2)cc1)c1ccc(Br)cc1 54534092 XAUDBRCRTUZQJL-UHFFFAOYSA-N 406.305 3.172 0 40 HGAB CC(=O)c1cc(C(=O)N[C@@H](C)c2cc3c(cc2Br)OCCO3)n(C)c1 55784462 CUZQTBVOYIJZME-JTQLQIEISA-N 407.264 3.252 0 40 HGAB CCOC(=O)C[C@@H](NS(=O)(=O)c1cccc2cnccc12)c1cccc(OC)c1 56113151 ZKHQPJKDOBAIAH-LJQANCHMSA-N 414.483 3.216 0 40 HGAB Cc1noc(C)c1S(=O)(=O)NCC1(c2cccc(C(F)(F)F)c2)CCOCC1 57010203 BRPZKOUTTJZDSM-UHFFFAOYSA-N 418.437 3.337 0 40 HGAB Cc1cc(C)n2c(Br)c(CN3CCN(c4ccccc4)CC3)nc2n1 57424833 NZFZJUVPETWDPX-UHFFFAOYSA-N 400.324 3.431 0 40 HGAB COc1ccc(-c2nc(C)cc(=O)n2CC(=O)N[C@@H](C)CCc2ccccc2)cc1 67198593 XSYHMIARNOYYHE-KRWDZBQOSA-N 405.498 3.365 0 40 HGAB CCc1ccc(NC(=O)CN2CCc3[nH]c4c(C)cc(OC)cc4c(=O)c3C2)cc1 67349866 YWVCORBAOGRGTR-UHFFFAOYSA-N 405.498 3.404 0 40 HGAB O=S(=O)(NCCc1nnc(-c2ccccc2)o1)c1ccccc1OC(F)(F)F 79012785 LTKLKMKKOQWPKB-UHFFFAOYSA-N 413.377 3.156 0 40 HGAB C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O 102085723 VWTCBLWPVIYTNJ-OGBFVYCISA-N 405.281 3.374 0 40 HGAB COc1ccc(CCN2C(=O)C[C@H](Nc3ccc(OC(F)(F)F)cc3)C2=O)cc1 102122987 GSSZZDQGFQJWNW-KRWDZBQOSA-N 408.376 3.376 0 40 HGAB COc1ccc(OC)c(NC(=O)c2ccccc2N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 136530213 GQBIEIPFIXCPAB-HOTGVXAUSA-N 406.438 3.412 0 40 HGAB CC[C@@H](C(=O)N1CCc2ccccc2C1)N(c1cc(C)cc(C)c1)S(C)(=O)=O 220562791 JAHZKXPDRGDHGP-NRFANRHFSA-N 400.544 3.433 0 40 HGAB Cc1ccccc1-c1noc(CNS(=O)(=O)Cc2ccc(Br)cc2)n1 223634521 XGYNIADAXRZOPM-UHFFFAOYSA-N 422.304 3.427 0 40 HGAB Cc1ccccc1-c1noc(CNS(=O)(=O)Cc2cccc(Br)c2)n1 223636452 NAHUNZOQXIFWLK-UHFFFAOYSA-N 422.304 3.427 0 40 HGAB COc1cccc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)c1 223756285 CCUMSOLEYSNOCA-UHFFFAOYSA-N 424.525 3.358 0 40 HGAB Cc1c(Br)cnc(NC(=S)NC[C@@H]2CCCO2)c1Br 223896701 GORXAMGMNUTECQ-QMMMGPOBSA-N 409.147 3.380 0 40 HGAB Cc1ccc(C(=O)Nc2nnc(SCC(C)C)s2)cc1N(C)S(C)(=O)=O 223940012 XBQQAIAKRYGKDH-UHFFFAOYSA-N 414.578 3.243 0 40 HGAB Cc1ccc(C)c(OCCNC(=O)c2ccc(N(C)S(C)(=O)=O)cc2Cl)c1 224040011 QDZXAHSSGBFDIO-UHFFFAOYSA-N 410.923 3.161 0 40 HGAB CC[C@H](C(=O)NCCOc1cc(C)cc(C)c1)N(c1ccc(F)cc1)S(C)(=O)=O 224087133 LKLHEEJRZGBQSP-HXUWFJFHSA-N 422.522 3.182 0 40 HGAB CC[C@H](C(=O)NCCOc1ccccc1)N(c1cccc(Cl)c1)S(C)(=O)=O 224300331 NVJOGXSBTINFFZ-GOSISDBHSA-N 410.923 3.080 0 40 HGAB CCN(CC)Cc1nc(C2(O)CCN(C(=O)NCc3ccccc3)CC2)cs1 225463610 FWRNDZLHMPPTKE-UHFFFAOYSA-N 402.564 3.178 0 40 HGAB biogenic,in-vitro CCn1c(=O)sc2cc(S(=O)(=O)N[C@@H](C)COc3ccc(C)c(C)c3)ccc21 225699255 WKXXLUNNCGYHIC-HNNXBMFYSA-N 420.556 3.446 0 40 HGAB Cc1cccc(C)c1N(CN1C(=O)[C@@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C1=O)C(=O)C(F)(F)F 226400921 NAYGKMWJHAHOFD-NWHWRWDZSA-N 418.415 3.209 0 40 HGAB CC1(C)Cc2cccc(OCC(=O)NC[C@@H](c3ccco3)N3CCSCC3)c2O1 239846237 KZUBPHCJOBQDEU-KRWDZBQOSA-N 416.543 3.278 0 40 HGAB CCNC(=O)C1(Cc2ccccc2-c2cccnc2)CCN(C(=O)[C@@H]2CCCO2)CC1 257270826 MVUPAIJWBCHLKY-QFIPXVFZSA-N 421.541 3.215 0 40 HGAB CC(=O)c1cccc(NS(=O)(=O)c2ccc(O[C@@H](C)C(=O)NCC(C)C)cc2)c1 408596092 RDSXUCJLLLEXOQ-INIZCTEOSA-N 418.515 3.230 0 40 HGAB O=C1CCCN1C[C@H](NC[C@@H](O)COc1ccccc1)c1cccc(C(F)(F)F)c1 539220835 LYRUVBBMHSMZMJ-QUCCMNQESA-N 422.447 3.398 0 40 HGAB O=C(NCCCc1cc2ccccc2o1)C(=O)Nc1cccc(N2CCCC2=O)c1 575414211 SQCWRCWUCRGUJX-UHFFFAOYSA-N 405.454 3.247 0 40 HGAB O=C(COc1ccc(S(=O)(=O)NCc2ccccc2)cc1)NC1CCCCCC1 983565 QBCCGDVATYNETH-UHFFFAOYSA-N 416.543 3.383 0 40 HGAB Cc1ccc(O[C@@H](C)C(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)cc1C 2233964 UHCCNVAJOSCQAE-DLBZAZTESA-N 407.557 3.348 0 40 HGAB Cc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)OCC(=O)Nc1ccc2c(c1)OCO2 3280518 KLVIZTDLXQJEJH-PKNBQFBNSA-N 419.437 3.413 0 40 HGAB CCOc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc3c(c2)OCCO3)cc1OC 3382890 GCDLUPOJDJSTCX-CYBMUJFWSA-N 401.415 3.049 0 40 HGAB COC[C@@H](C)n1c(SCC(=O)Nc2ccc(OC)cc2)nc2ccccc2c1=O 3403285 IPDZITMYBUIFOK-CQSZACIVSA-N 413.499 3.343 0 40 HGAB Cc1ccc(-n2c(=O)c3oc4ccccc4c3n(CC(=O)NC3CCCC3)c2=O)cc1 4359021 ZYKMJXICYGUXKJ-UHFFFAOYSA-N 417.465 3.266 0 40 HGAB CCCCSC1=NC2=NC(C)=C(C(N)=O)[C@H](c3ccc(OCCC)cc3)N2N1 4369492 FYKIJVVJIRLNPA-KRWDZBQOSA-N 401.536 3.355 0 40 HGAB CC(=O)Nc1ccc2nc(NC(=S)NC(=O)COc3ccccc3)sc2c1 4689127 IDEAFONMBMVXJP-UHFFFAOYSA-N 400.485 3.147 0 40 HGAB CSc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H]3C[C@H]4CC[C@@H]3C4)CC2)cc1 4986293 CRDJUNBIVMWBBZ-GMBSWORKSA-N 408.589 3.114 0 40 HGAB C[C@@H]1CCCCN1C(=O)COC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 5018290 DYTHVSNJOQHYGC-QGZVFWFLSA-N 404.470 3.492 0 40 HGAB O=C(Nc1cccc(Cl)c1)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 5090457 OBEQAEVRCAWYBV-UHFFFAOYSA-N 403.891 3.140 0 40 HGAB O=C(CS(=O)(=O)c1ccc(F)cc1)Nc1nc2c(s1)CCc1ccccc1-2 5190176 VYEIPDKTGYJVQQ-UHFFFAOYSA-N 402.472 3.460 0 40 HGAB CCC(C)(C)n1nnnc1[C@H](c1cc2cc(OC)ccc2[nH]c1=O)N1CCC[C@@H](C)C1 5444259 GEZQCTLFWVYDGB-QRWLVFNGSA-N 424.549 3.490 0 40 HGAB O=C(Nc1cccc(-n2cnnn2)c1)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O 5488565 IHGPOJIDLNOQFI-OAQYLSRUSA-N 411.421 3.369 0 40 HGAB CCNc1ccc(S(=O)(=O)N(C)C)cc1NCC(=O)Nc1ccccc1Cl 5636972 JNCVAFQPLXBCAC-UHFFFAOYSA-N 410.927 3.073 0 40 HGAB CCOC(=O)c1c(NC(=O)c2ccc(OC)c(OC)c2)sc(C(=O)N(C)C)c1C 6047140 YXBISMIWSVQMLA-UHFFFAOYSA-N 420.487 3.205 0 40 HGAB CC(C)CC(=O)N1CCC(O)(CS(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 6262814 OAJGRFBBCNNBBH-UHFFFAOYSA-N 408.347 3.167 0 40 HGAB Cc1ccc(NC(=O)Cn2c(=O)n(Cc3ccco3)c(=O)c3sccc32)cc1C 6678712 MSZMQYVOSWWQLM-UHFFFAOYSA-N 409.467 3.122 0 40 HGAB COc1ccc(N2C(SCCCc3ccccc3)=N[C@H]3CS(=O)(=O)C[C@H]32)cc1 6719281 PNMWPBHMBSPDJX-VQTJNVASSA-N 416.568 3.403 0 40 HGAB C=CCOc1c(CC=C)cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc1OC 8477301 LLUJOIMGVPQFTN-QGOAFFKASA-N 410.470 3.393 0 40 HGAB Cc1nc(NS(=O)(=O)c2ccccc2)sc1C(=O)NCc1ccc(F)cc1 8977699 RJAVZUVZIUVPBY-UHFFFAOYSA-N 405.476 3.321 0 40 HGAB CC(C)Cn1c(S[C@H](C)C(=O)NC[C@H]2CCCO2)nc2ccc(Cl)cc2c1=O 9091494 ZJAAYBWPQSMVTC-UKRRQHHQSA-N 423.966 3.482 0 40 HGAB CCc1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(OC)cc2)C1 9974175 OBYJUBOSJVPJGX-KRWDZBQOSA-N 402.516 3.297 0 40 HGAB O=C(CN1C(=O)S/C(=C/c2cc3ccccc3oc2=O)C1=O)Nc1ccccc1 10040684 FELFSPARNDLOPL-GZTJUZNOSA-N 406.419 3.468 0 40 HGAB COc1cc(C(C)=O)ccc1OCC(=O)NCc1ccc(NC(=O)c2ccco2)cc1 11534334 JDZNESUALRQDIL-UHFFFAOYSA-N 422.437 3.438 0 40 HGAB O=C(C[C@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1)NCc1ccc(F)cc1 11612832 OUUPEJVGFHRWRZ-GOSISDBHSA-N 408.470 3.215 0 40 HGAB CC(=O)NC1(c2ccccc2)CCN(C[C@@H](O)c2ccc3c(c2)OCCCO3)CC1 12228216 KIDBZEUXQPZUSX-OAQYLSRUSA-N 410.514 3.009 0 40 HGAB CCCn1c(C)c(C)c(S(=O)(=O)c2ccc(OC)cc2)c1NC(=O)[C@H]1CCCO1 12389408 ZJNCXSMVZOAJPY-GOSISDBHSA-N 420.531 3.474 0 40 HGAB COc1ccc([C@@H]2c3c(O)n[nH]c3C[C@@](C)(O)[C@H]2C(=O)Nc2ccccc2C)cc1 12463100 GSSMZDUIYCDSFR-KKLQWCBXSA-N 407.470 3.126 0 40 HGAB COc1ccc(-c2nnc(S[C@H](C)C(=O)NC(N)=O)n2[C@@H]2CCCC[C@@H]2C)cc1 12538199 UKMCIDOUMJMTMF-WOSRLPQWSA-N 417.535 3.380 0 40 HGAB O=C(NCc1cccs1)c1cc(S(=O)(=O)N2CCc3ccccc3C2)cs1 13996847 JCGHZJNLZDDQDH-UHFFFAOYSA-N 418.565 3.487 0 40 HGAB O=c1c2ccc(Cl)cc2ncn1C[C@H](O)COc1ccc(Br)cc1 14183560 MBZFNLCZRIVPNU-ZDUSSCGKSA-N 409.667 3.252 0 40 HGAB CCc1nc2sc([C@H](c3cccc(OC)c3)N3C[C@H](C)O[C@@H](C)C3)c(O)n2n1 16690164 JXXKXCCXVHPUAS-DCGLDWPTSA-N 402.520 3.266 0 40 HGAB C[C@H](Oc1ccccc1F)C(=O)N1CCN([C@H](c2ccccc2)c2nccn2C)CC1 19079097 UZIBAIJZACQJMX-PGRDOPGGSA-N 422.504 3.260 0 40 HGAB CC(C)C(=O)N1C[C@H](c2ccc(F)cc2)[C@H]2CN(C(=O)Cc3ccncc3)CC[C@H]21 19086076 CPKSMCOVQCGPPJ-YPAWHYETSA-N 409.505 3.262 0 40 HGAB CCC(=O)N1CCN(Cc2nc3sc4c(c3c(=O)[nH]2)CC[C@@H](C(C)(C)C)C4)CC1 19498942 NFGIRMIAWCQGMS-CQSZACIVSA-N 416.591 3.190 0 40 HGAB COc1ccccc1NC(=O)[C@H]1CN(C(=O)CCc2ccccc2)Cc2cn(C)nc21 19701585 CVTXJHTVQHTQTD-IBGZPJMESA-N 418.497 3.126 0 40 HGAB CN(CC(=O)Nc1cccc(-c2nc3ccccc3s2)c1)[C@@H]1CCS(=O)(=O)C1 19716100 VTVOWWYLFNXOBB-MRXNPFEDSA-N 415.540 3.021 0 40 HGAB O=C(Nc1ccc(F)cc1)[C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 20039570 PKJBAANBLZMTHM-SFHVURJKSA-N 404.507 3.439 0 40 HGAB O=C1c2oc3ccccc3c(=O)c2[C@@H](c2cccc(F)c2)N1CCCN1CCOCC1 20219627 FBEAABJSHYLLSB-OAQYLSRUSA-N 422.456 3.200 0 40 HGAB C[C@@]1(CCc2ccccc2)NC(=O)N(CC(=O)NCCCCc2ccccc2)C1=O 21398036 GQNDHCORFNUPNH-DEOSSOPVSA-N 407.514 3.069 0 40 HGAB C[C@@H](NC(=S)NCCc1ccccc1)[C@H](c1cccs1)N1CCN(C)CC1 22803252 SOIWUPYQCIVMPD-YLJYHZDGSA-N 402.633 3.132 0 40 HGAB CCOC(=O)C1CCN([C@@H](c2ccccc2)c2sc3nc(CC)nn3c2O)CC1 22853449 GJQHTKMMZXBUHY-KRWDZBQOSA-N 414.531 3.423 0 40 HGAB COc1cccc(CSc2nc(C)c(CC(=O)NCc3cccs3)c(=O)[nH]2)c1 23138529 KSAWUJPXUYEXOI-UHFFFAOYSA-N 415.540 3.300 0 40 HGAB CC(=O)Nc1nc(C(=O)NCC2(NC(=O)OC(C)(C)C)CCCCCC2)cs1 25311814 LDOQYDXLVSWZTK-UHFFFAOYSA-N 410.540 3.449 0 40 HGAB Cc1nn(Cc2ccccc2Cl)c(C)c1CN(C)C(=O)c1nc2nccc(C)n2n1 25943754 OCXAZOYPCBNJAM-UHFFFAOYSA-N 423.908 3.220 0 40 HGAB CSc1ncc(Cl)c(C(=O)Nc2cccc(OCC(=O)N3CCCC3)c2)n1 27450070 CXIUVXOJPQMORO-UHFFFAOYSA-N 406.895 3.105 0 40 HGAB Cc1ccc(C)c(N2N=C(C(=O)NC[C@@H](c3cccc(F)c3)N(C)C)CCC2=O)c1 29836344 GILUQNBVMIYLIE-NRFANRHFSA-N 410.493 3.344 0 40 HGAB CC(C)C[C@@H](NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C)c1ccccc1 30851161 FHSQTXQXPFIMOP-HXUWFJFHSA-N 421.538 3.342 0 40 HGAB Cc1ccc([C@@](O)(CCNC(=O)c2cnn(Cc3ccccc3)c2)C(F)(F)F)o1 31570614 NAWJYSKCLSVGSS-IBGZPJMESA-N 407.392 3.403 0 40 HGAB CC(C)[C@@H](NC(=O)Nc1ccccc1)C(=O)N[C@@H](C)c1ccc(-n2cncn2)cc1 32737928 SYTAGYYOSTUFSN-OXJNMPFZSA-N 406.490 3.291 0 40 HGAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)Cc1ccc(OC)c(OC)c1OC 32768326 XMJGPCOEDNPCHD-CQSZACIVSA-N 400.475 3.422 0 40 HGAB C[S@@](=O)Cc1cccc(C(=O)NC[C@@H](c2ccccc2Cl)N2CCOCC2)c1 32818229 IYPJUFCQKRWIKL-MMTVBGGISA-N 420.962 3.022 0 40 HGAB CN(C(=O)COC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccccc1 33445741 KIGLTIFMQBORFK-UHFFFAOYSA-N 424.478 3.307 0 40 HGAB Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)CCC(=O)c2ccccc2)CC1 35269015 IJEVGQXRQLHXPP-UHFFFAOYSA-N 407.514 3.049 0 40 HGAB COc1ccc(N2C[C@]34C=C[C@H](O3)[C@H](C(=O)N[C@H](C)CCCC(C)C)[C@H]4C2=O)cc1 36369700 OLAUHODKTOCQBC-XLKQCQOGSA-N 412.530 3.313 0 40 HGAB CCN(Cc1c(C)nn(CC)c1C)C(=O)c1cc(-c2cnn(C)c2)nc2onc(C)c12 36619483 RPQBNUTYSOJOHZ-UHFFFAOYSA-N 421.505 3.427 0 40 HGAB COc1ccc(NC(=O)CCn2c(=O)cc(C(F)(F)F)c3c(C)n(C)nc32)c(C)c1 36621418 LCQOBHWGFCNKQJ-UHFFFAOYSA-N 422.407 3.408 0 40 HGAB COC(=O)c1cc(NC(=O)[C@H](C(C)C)N2C(=O)c3ccccc3C2=O)c(F)cc1F 40051094 MLNHHOPOMSOOGM-KRWDZBQOSA-N 416.380 3.011 0 40 HGAB CCc1nn2c(C)c(C(=O)N3CCN(CC)CC3)nnc2c1-c1cccc(Cl)c1 40384995 IMFACZCRLOIXIN-UHFFFAOYSA-N 412.925 3.093 0 40 HGAB Cc1ccc(Cn2c(=O)c3ccccc3n(CC(=O)Nc3ccc(F)cc3)c2=O)cc1 40478452 FOVNWPYKNRYFST-UHFFFAOYSA-N 417.440 3.298 0 40 HGAB CC[C@@H](C(=O)Nc1ccccc1C(=O)NC(C)(C)C)N1C(=O)c2ccccc2C1=O 44928637 QRDBMCAYSFKNBZ-SFHVURJKSA-N 407.470 3.228 0 40 HGAB CC(C)c1cccc(NC(=O)Cn2nc3c(N4C[C@@H](C)C[C@H](C)C4)nccn3c2=O)c1 49400164 BGNPGBUCDWRLSD-IRXDYDNUSA-N 422.533 3.135 0 40 HGAB CCN(CC(=O)NC[C@H](c1ccco1)N(CC)CC)Cc1ccc2c(c1)OCCO2 53094172 HPDHDWUQSUBRQT-LJQANCHMSA-N 415.534 3.072 0 40 HGAB CC(=O)Nc1ccc2c(COC(=O)C[C@H](C)NC(=O)c3ccccc3)cc(=O)oc2c1 57713808 DUXGOTAIZHGYOV-AWEZNQCLSA-N 422.437 3.003 0 40 HGAB Cc1nn(-c2ccc(F)cc2)c2[nH]c(=O)c(CNC[C@@H]3COc4ccccc4O3)cc12 57810307 TUPXMHWKJIJXNO-GOSISDBHSA-N 420.444 3.091 0 40 HGAB CS(=O)(=O)c1nc(C(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)c2ccccn12 65521390 NJQLWDHZTODUSL-INIZCTEOSA-N 403.891 3.272 0 40 HGAB CCNC(=O)N1CCc2c(cccc2-n2nnc(C(=O)Nc3ccccc3F)c2C)C1 71889516 TUDDKQKJJZEULO-UHFFFAOYSA-N 422.464 3.055 0 40 HGAB CC(C)C[C@H](NC(=O)CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)c1nc2ccccc2[nH]1 95959428 QFTBLGAEQCQZBX-BXWFABGCSA-N 408.502 3.108 0 40 HGAB O=C(N[C@]1(C(F)(F)F)CCc2ccccc21)c1cc2c(s1)CCS(=O)(=O)C2 96005886 VGEPVVZZTADXIM-QGZVFWFLSA-N 415.458 3.353 0 40 HGAB CC(C)NC(=O)c1ccc2c(c1)[C@H](c1ncn(C(C)C)n1)CN2C(=O)c1ccccn1 96156383 PAASAULNVJEAHB-GOSISDBHSA-N 418.501 3.185 0 40 HGAB COc1ccc(/C=C/C(O)=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc1O 101378646 ASGRVMAJGNFCRU-XPQZURHDSA-N 414.801 3.163 0 40 HGAB CCOC(=O)[C@H](C(=O)CSc1nnc(-c2ccoc2C)n1C)c1nc(C)cs1 103034789 QYNFGKVGGYLKIW-CQSZACIVSA-N 420.516 3.157 0 40 HGAB COC[C@]1(C(N)=S)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1cccc(F)c1 217925979 YWMSUMHBLYVBPE-XYJFISCASA-N 413.923 3.338 0 40 HGAB CCOc1ccc(S(=O)(=O)N(C)Cc2cc(OC)c(OC)c(OC)c2)cc1C 222995324 PYRKNFWDLYSOAA-UHFFFAOYSA-N 409.504 3.240 0 40 HGAB COc1ccccc1OC[C@H](C)NS(=O)(=O)c1cc2c(cc1OC)CCCC2 223075501 ZBHGXTDDRMLRMW-HNNXBMFYSA-N 405.516 3.328 0 40 HGAB CS(=O)(=O)N(CCCC(=O)NC12CC3CC(CC(C3)C1)C2)c1ccccc1F 223212630 SUJJAYAAVLVQOA-UHFFFAOYSA-N 408.539 3.457 0 40 HGAB S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2Cc2cccnc2)N1C[C@@H]1CCCO1 223302338 QVKPNDCMSOKWDZ-YUXAGFNASA-N 419.554 3.478 0 40 HGAB CCOC(=O)c1cc(N(C)S(=O)(=O)c2ccc(OC)c(OC)c2)ccc1Cl 224815858 XHHSYUZIWCWIIO-UHFFFAOYSA-N 413.879 3.359 0 40 HGAB CCSc1nnc(NC(=O)CN(c2ccc(Cl)cc2C)S(C)(=O)=O)s1 225050654 OLAZCAUCVIEMJZ-UHFFFAOYSA-N 420.969 3.017 0 40 HGAB CN(Cc1cccnc1)Cc1nc(C2(O)CCN(Cc3ccccn3)CC2)cs1 225425823 CRNYGACAUPUJAX-UHFFFAOYSA-N 409.559 3.049 0 40 HGAB biogenic,in-vitro CO[C@H]1CN(CC(=O)Nc2nc(-c3ccccc3)c(C)s2)CC[C@]12CCCO2 257226666 FLPXQMMSBXEOTM-LAUBAEHRSA-N 401.532 3.327 0 40 HGAB Cc1ccc2c(c1)N(S(=O)(=O)c1ccccc1)C[C@@H](C(=O)N[C@H](C)C(C)C)O2 260912930 YZKUYIILFZNUNX-UZLBHIALSA-N 402.516 3.112 0 40 HGAB CCNC(=O)CCC/C=C/C[C@H]1[C@H](/C=C/[C@@H](O)CCc2ccccc2)[C@@H](O)C[C@H]1O 306120456 AQOKCDNYWBIDND-HWGJZDJJSA-N 415.574 3.147 0 40 HGAB COc1ccc(Cl)cc1N([C@H](C)C(=O)N[C@@H](C)c1ccccc1)S(C)(=O)=O 408557393 NCZVVDFKBLVKFD-UONOGXRCSA-N 410.923 3.381 0 40 HGAB COc1cccc(NS(=O)(=O)c2ccc(OCC(=O)NC3CCCCC3)cc2)c1 408586063 AAQUJMWTXIGFRU-UHFFFAOYSA-N 418.515 3.324 0 40 HGAB CC(C)CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)Nc2c(F)cccc2F)cc1 408601775 HFIAUYSHBUVSGR-ZDUSSCGKSA-N 412.458 3.305 0 40 HGAB CC(=O)Nc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)N3CCCCC3)c2)c1 408627315 ZHKABKUQZNYNRB-UHFFFAOYSA-N 415.515 3.380 0 40 HGAB Cc1ccc(C)n1NC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)cc1 408685470 PNHYVLBLHQDQEM-HQZQWKOLSA-N 401.466 3.046 0 40 HGAB O=C(N[C@@H]1CCN(c2ccccn2)C1)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O 511158039 UDYJCMLEMZBYBB-QGZVFWFLSA-N 418.497 3.019 0 40 HGAB COC(=O)CCCc1nnc(NC(=O)N2CCC[C@@H](CN3CCC(C)CC3)C2)s1 523576627 VAJKAMMEMYIKFK-INIZCTEOSA-N 423.583 3.010 0 40 HGAB CN(C)CC(=O)N1CC2(CCN(C(=O)c3ccccc3)CC2)c2cc(Cl)ccc21 585104575 QMTFAVYJKMCBNB-UHFFFAOYSA-N 411.933 3.422 0 40 HGAB Cc1ccc(CC(=O)N2C[C@@]3(CCCN(CC4CC4)C3=O)C[C@H]2c2cn(C)cn2)cc1 585106493 VZEWFIMWZYXMHE-WIOPSUGQSA-N 420.557 3.263 0 40 HGAB CCN(CC)C(=O)c1sc(NC(=O)c2ccc3c(c2)OCO3)c(C(=O)OC)c1C 871565 SMDVNXUBFCKKAT-UHFFFAOYSA-N 418.471 3.306 0 40 HGAB O=C(COC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(Br)s1 2650407 JUCJXOQQBGQPTJ-CYBMUJFWSA-N 422.300 3.285 0 40 HGAB O=C(CSc1nc2c(c(=O)n1-c1ccccc1)SCC2)NCCc1ccccc1 2719704 MZZKPRRVBUFVLW-UHFFFAOYSA-N 423.563 3.332 0 40 HGAB Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)cc1 3207395 NQXHZJQUAZILMA-UHFFFAOYSA-N 416.528 3.039 0 40 HGAB COc1ccc2c(c1)CCc1cc(C(=O)OCn3nnc4ccccc4c3=O)sc1-2 3383763 KNFWQPQCWYRPNG-UHFFFAOYSA-N 419.462 3.442 0 40 HGAB COc1ccc(-c2nnc(SCC(=O)NCc3ccc(OC)c(OC)c3)o2)cc1 3592967 FEAZNLIMYNIWTL-UHFFFAOYSA-N 415.471 3.171 0 40 HGAB CC(C)CNC(=O)[C@H](CC(C)C)N1C(=O)N2CCc3c([nH]c4ccccc34)[C@@]2(C)C1=O 4083995 DFQULSBWMPZVLM-CYFREDJKSA-N 424.545 3.390 0 40 HGAB biogenic COCCN1CC(=O)N2C[C@@H](c3ccc(C)cc3)c3c([nH]c4ccccc34)[C@@]2(C)C1=O 4084004 WKSWPHSITIGNNA-DFBJGRDBSA-N 417.509 3.154 0 40 HGAB biogenic C[C@H](NC(=O)C(=O)NC[C@@H](c1ccco1)N1CCc2ccccc21)c1ccccc1 4305384 ZCNNGPTVQXQDSA-UWJYYQICSA-N 403.482 3.377 0 40 HGAB C[C@@H]1CCN(C(=O)COC(=O)c2ccccc2NCCO)c2ccccc2S1 5278067 YMOPYWQVZJZISH-OAHLLOKOSA-N 400.500 3.165 0 40 HGAB Cc1cc(OCC(=O)NCCCN(C)C)c2c(C)c(Cc3ccccc3)c(=O)oc2c1 5348475 HADCBMUWKSHOBB-UHFFFAOYSA-N 422.525 3.447 0 40 HGAB CCN1CCC[C@H](NC(=O)c2nc3nc(-c4ccccc4)cc(C(F)(F)F)n3n2)C1 5509796 FYZKAUFDLDIJRM-AWEZNQCLSA-N 418.423 3.024 0 40 HGAB Cc1ccc(NC(=O)CN2C(=O)N[C@](C)(c3cc(F)ccc3F)C2=O)c(Cl)c1 5791523 LYSSSQKSDANCFB-LJQANCHMSA-N 407.804 3.332 0 40 HGAB COCCCn1c(C)cc(C(=O)CSc2nnnn2-c2cccc(F)c2)c1C 5796524 RHMGPFBQDBBUTN-UHFFFAOYSA-N 403.483 3.231 0 40 HGAB Cc1c(NC(=O)[C@H](C)OC(=O)c2cccc(Cl)c2)c(=O)n(-c2ccccc2)n1C 5980880 MZMCXZDZXNRBFL-AWEZNQCLSA-N 413.861 3.322 0 40 HGAB C[C@@H]1C[C@@H](C)CN(C(=O)c2ccccc2C(=O)OCC(=O)NCc2cccs2)C1 6113530 KXERRLGOKPWFTC-HZPDHXFCSA-N 414.527 3.339 0 40 HGAB CCc1ccc(CN(C(=O)[C@H](C)Oc2ccccc2F)[C@H]2CCS(=O)(=O)C2)cc1 6604262 HIJWIUXBJCOFRF-LPHOPBHVSA-N 419.518 3.371 0 40 HGAB CCc1cc(=O)oc2cc(OCC(=O)NC[C@@H](O)c3ccccc3)c(Cl)cc12 6659194 WMWHAJZRPFSBBN-QGZVFWFLSA-N 401.846 3.237 0 40 HGAB O=C1S/C(=C\C=C\c2ccccc2)C(=O)N1CC(=O)N1CCCC[C@H]1CCO 6660794 OWEIZKGRDJADEG-NTLYZGGWSA-N 400.500 3.043 0 40 HGAB Cc1ccc(-c2nc(COC(=O)c3cc(S(N)(=O)=O)ccc3F)cs2)cc1 7124089 XNCQMNWJOHRDIP-UHFFFAOYSA-N 406.460 3.262 0 40 HGAB O=C(Cc1ccc2c(c1)OCCO2)N1CCN(c2cccc(C(F)(F)F)c2)CC1 8024609 QIHIIEBPJJIOMX-UHFFFAOYSA-N 406.404 3.368 0 40 HGAB CS(=O)(=O)N(CCc1ccccc1)CC(=O)Nc1ccc(Cl)cc1Cl 8169478 FZXHHGQQZWHIPL-UHFFFAOYSA-N 401.315 3.436 0 40 HGAB CC[C@@H](c1nnc(S[C@@H](C)C(=O)NC2CC2)n1-c1ccc(OC)cc1)N(C)C 8427804 FBTCVPVSQQZIEI-GUYCJALGSA-N 403.552 3.048 0 40 HGAB Cc1nc2c(=O)n(CC(=O)N3CCc4ccccc43)nc(-c3cccs3)c2s1 8955972 OLSHIBKCVSSZGR-UHFFFAOYSA-N 408.508 3.479 0 40 HGAB O=C1NC(=O)[C@H]2[C@H]1[C@H](C(=O)c1ccc(Cl)cc1Cl)N1C=Cc3ccccc3[C@@H]21 8969803 YJWRXRFXIWIHSC-XLAORIBOSA-N 413.260 3.475 0 40 HGAB COc1ccc(Cl)cc1NC(=O)CN(C)[C@H](C)C(=O)N[C@@H](C)c1ccccc1 9053539 SIWHCPCUCBFTGA-LSDHHAIUSA-N 403.910 3.485 0 40 HGAB Cc1cc(C(=O)CSc2nnnn2C(C)C)c(C)n1Cc1ccc2c(c1)OCO2 9548628 PIEANDUHOYFFAI-UHFFFAOYSA-N 413.503 3.424 0 40 HGAB Cc1ccc(Cc2cnc(NC(=O)c3ccccc3CN3C(=O)CNC3=O)s2)cc1 11172096 QPSXBVLBUCJUSN-UHFFFAOYSA-N 420.494 3.346 0 40 HGAB Cc1sc2nc(C)n(C3CCN(CC(=O)N4CCCCC4)CC3)c(=O)c2c1C 12145409 IHDDJHUMRZLUOH-UHFFFAOYSA-N 402.564 3.033 0 40 HGAB O=C(CNC(=O)c1cccs1)NCC(=O)Nc1cccc(Oc2ccccc2)c1 12759538 CIIKUPWYQHHCKW-UHFFFAOYSA-N 409.467 3.025 0 40 HGAB Cc1cccc(N(Cc2ccccc2)C(=O)CSc2nnnn2C[C@H]2CCCO2)c1 12783872 MZYPOBAPNGKPBT-HXUWFJFHSA-N 423.542 3.486 0 40 HGAB COc1cc(C(=O)Nc2ccc3c(c2)-c2ccccc2C3)cc(OC)c1OCC(N)=O 12784134 IGCCHRNKRSKKIL-UHFFFAOYSA-N 418.449 3.391 0 40 HGAB COc1ccc(-c2nc(CN3CCN(C(=O)c4cc(C(C)=O)c[nH]4)CC3)cs2)cc1 12891553 RXKXQCKPFIJSTK-UHFFFAOYSA-N 424.526 3.307 0 40 HGAB COC(=O)c1ccc2c(=O)nc(CN(C)Cc3ccccc3Br)[nH]c2c1 12928053 CVDLFPATYNMWEJ-UHFFFAOYSA-N 416.275 3.104 0 40 HGAB CCOc1ccc(CCNC(=O)[C@H]2CC(=O)N(Cc3ccc(C)cc3)C2)cc1OCC 13009316 MRPDEZLEWNCUQZ-NRFANRHFSA-N 424.541 3.500 0 40 HGAB CC(C)(C)OC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OC(C)(C)C)[C@@H]1c1cccc(O)c1 13583856 AGQCMGOCQVNZSM-ZHSNQQFMSA-N 420.502 3.115 0 40 HGAB O=C([C@@H]1CCCO1)N1CCc2ccc(NS(=O)(=O)c3ccc(F)c(Cl)c3)cc21 13696691 PCOISWLSKQFVIA-SFHVURJKSA-N 424.881 3.348 0 40 HGAB CCn1c(=O)n(CC(=O)NCc2c(C)nn(Cc3ccccc3)c2C)c2ccccc21 14071218 YUEORLNJTLUHBN-UHFFFAOYSA-N 417.513 3.001 0 40 HGAB CCc1sc(C(=O)N2CCN([C@H](C(N)=O)c3ccc(Cl)cc3)CC2)cc1C 14198163 QJTPRUJHOMIUGU-SFHVURJKSA-N 405.951 3.257 0 40 HGAB CC(=O)N1CCC[C@@H]1C(=O)Nc1ncc(Cc2ccc(Br)cc2)s1 14202018 PWDJHLKTFAVIFO-OAHLLOKOSA-N 408.321 3.446 0 40 HGAB CCOc1ccccc1NC(=O)c1ccc(N2C(=O)C(C)(C)CS2(=O)=O)cc1 15843230 HIGBNPAGRMCJHS-UHFFFAOYSA-N 402.472 3.040 0 40 HGAB COc1cc(NS(=O)(=O)c2cc(NC(C)=O)ccc2OC)c(OC)cc1Cl 16100434 DTPXVAAIBFYRNL-UHFFFAOYSA-N 414.867 3.125 0 40 HGAB CCN(CC)S(=O)(=O)c1cc(C(=O)OCc2cn3cc(C)ccc3n2)ccc1C 16250506 RZDDUOZTPRZCTM-UHFFFAOYSA-N 415.515 3.339 0 40 HGAB COC(=O)C1=C(C)N(c2ccc3c(c2)OCO3)C(=O)N[C@H]1c1ccc(F)cc1F 16517566 AFROJBFYWCUMNL-SFHVURJKSA-N 402.353 3.411 0 40 HGAB O=C(NC1CCCCC1)c1cc([C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)no1 19373618 UNRLNLMXOWBMPH-MRXNPFEDSA-N 417.531 3.305 0 40 HGAB O=c1[nH]cc(-c2ccccc2)cc1CNc1cccc(OCCN2CCOCC2)c1 19373990 YLVPFISHCLXQGH-UHFFFAOYSA-N 405.498 3.365 0 40 HGAB CN(C)C(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)CCCN(C(=O)[C@@H]2CCCO2)C1 19578944 MZEIWRNFQHEWTO-WIOPSUGQSA-N 421.541 3.167 0 40 HGAB CNC(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)CN(Cc2cccc(F)c2)CCO1 19591906 BNVDRBYYVIPAFG-RUZDIDTESA-N 419.500 3.447 0 40 HGAB COc1ccc(C(=O)N2CCC(c3ccc(C(=O)NC4CCCC4)cn3)CC2)cn1 19708342 ZFPBWJMGZQDUPV-UHFFFAOYSA-N 408.502 3.177 0 40 HGAB CCOCCCNS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(C)cc1 20766198 JZRXVSRSVKTBBE-UHFFFAOYSA-N 416.543 3.293 0 40 HGAB O=C(Nc1cnc2ccccc2c1)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 21137000 SDMHBEMCGMGQRD-UHFFFAOYSA-N 420.494 3.034 0 40 HGAB CC(C)n1cnc2nc(COc3cccc(NC(=O)c4ccccc4F)c3)cc(=O)n21 21796862 LLFKTMWQXAHZHY-UHFFFAOYSA-N 421.432 3.442 0 40 HGAB O=C(Cc1csc(N2CCCC2=O)n1)Nc1c2c(nn1-c1ccccc1)CCC2 22088771 OQBUQHDGFAWRGR-UHFFFAOYSA-N 407.499 3.126 0 40 HGAB CCC[C@@H](C)NC(=O)COc1ccc(N(Cc2ccccc2F)S(C)(=O)=O)cc1 22233741 UBQVYSQJARXFGQ-MRXNPFEDSA-N 422.522 3.476 0 40 HGAB CCn1cc(C(=O)Nc2cc(OC)c(OC)cc2C(=O)OC)c(=O)c2cc(C)ccc21 22234732 OMLOCKSTCNKFKJ-UHFFFAOYSA-N 424.453 3.386 0 40 HGAB CN(C)S(=O)(=O)N1CCC[C@H](C(=O)Nc2cc(Cl)c(Cl)cc2Cl)C1 22532604 WNXSDMQJWWXYQB-VIFPVBQESA-N 414.742 3.104 0 40 HGAB O=S(=O)(NC[C@@H](c1cccs1)N1CCOCC1)c1cccc2ccccc12 23107950 NGMHORDNVDPVEZ-SFHVURJKSA-N 402.541 3.253 0 40 HGAB COc1cccc(N2C[C@H](C(=O)Nc3nc4ccc(NC(C)=O)cc4s3)CC2=O)c1 24716198 VKOCKRFKCPXWBI-CYBMUJFWSA-N 424.482 3.255 0 40 HGAB Cc1nc2c(c(C)nn2C)c(C)c1CCC(=O)N[C@H]1CCN(Cc2ccccc2)C1 24969889 ZICDVDAHKNXIOS-FQEVSTJZSA-N 405.546 3.217 0 40 HGAB C[C@@H]1CCCC[C@@]12NC(=O)N(CN(Cc1ccc(C(=O)NC3CC3)cc1)C1CC1)C2=O 27539123 UGRAGBZLSPGRPL-VOIUYBSRSA-N 424.545 3.001 0 40 HGAB O=C(N[C@H]1CCCC[C@H]1N1C(=O)CSC1=O)c1cc(=O)c2cc(Cl)ccc2o1 28284142 JGTMYBZPWUTASX-QWHCGFSZSA-N 420.874 3.183 0 40 HGAB CCOc1ncccc1CNC(=O)c1cnn(-c2ccc(C(F)(F)F)cn2)c1C 31325984 IFEAAOCTDOUGDW-UHFFFAOYSA-N 405.380 3.318 0 40 HGAB Cc1ccc(N2C(SCCOc3ccccc3)=N[C@H]3CS(=O)(=O)C[C@@H]32)cc1 32640650 VRBIWHJVJRHGOH-OALUTQOASA-N 402.541 3.149 0 40 HGAB Cc1cc(F)ccc1S(=O)(=O)Nc1cc2c(cc1Br)OCCO2 32906713 MJADUXWBGROGAN-UHFFFAOYSA-N 402.241 3.469 0 40 HGAB Cc1nn(-c2ccccc2)c2sc(C(=O)N3C[C@@H](C(N)=O)Oc4ccccc43)cc12 32986180 SUEYYSLSGICTJD-SFHVURJKSA-N 418.478 3.289 0 40 HGAB O=C1N=C(O)/C(=C\c2cccn2-c2cccc([N+](=O)[O-])c2)C(=O)N1Cc1ccco1 33858917 HPVKGTBWUYPTFV-GZTJUZNOSA-N 406.354 3.481 0 40 HGAB CCS(=O)(=O)N(C)CCCNC(=O)c1cc2c(s1)CC[C@H](C(C)(C)C)C2 40094784 ZHTXEGFXWPIRRG-HNNXBMFYSA-N 400.610 3.301 0 40 HGAB Cc1nn(C)c(C)c1CC(=O)N[C@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 40107799 VMZCZROIPUEYLA-GOSISDBHSA-N 422.451 3.078 0 40 HGAB CC(C)(C)OC(=O)Nc1cccc(C(=O)Nc2cccc([C@]3(C)NC(=O)NC3=O)c2)c1 40111124 KQQINETXMCKTCJ-QFIPXVFZSA-N 424.457 3.341 0 40 HGAB C[C@]1(c2ccccc2C(F)(F)F)NC(=O)N(CC(=O)Nc2cccc(F)c2)C1=O 40116655 BVIMFZCUNFNWFD-GOSISDBHSA-N 409.339 3.250 0 40 HGAB CCC(=O)N1CCc2cc(C(=O)N3CCN(c4cc(C)nc(C(C)C)n4)CC3)ccc21 40144528 UHOAXAQGBUOKGF-UHFFFAOYSA-N 421.545 3.170 0 40 HGAB CCCn1cnc2nc(COc3ccccc3NC(=O)c3cccs3)cc(=O)n21 41077136 QQAAULMDWBUUJH-UHFFFAOYSA-N 409.471 3.194 0 40 HGAB CCOc1cccc(CNC(=O)CN(C)S(=O)(=O)c2ccc3ccccc3c2)c1 44640807 QANRTYNELXLBCG-UHFFFAOYSA-N 412.511 3.175 0 40 HGAB COc1cc(OC)c(NC(=O)CSc2nc3ccsc3c(=O)[nH]2)cc1Cl 44842079 IXSZIOUOXPSGGB-UHFFFAOYSA-N 411.892 3.386 0 40 HGAB O=C(COc1coc(CN2CCCCC2)cc1=O)Nc1cccc(Br)c1 44890734 CPZWOSJOGBNJMV-UHFFFAOYSA-N 421.291 3.406 0 40 HGAB O=S(=O)(Nc1ccccc1-n1cnnn1)c1cc(C(F)(F)F)ccc1Cl 47328512 FTDURHHNWDGJTD-UHFFFAOYSA-N 403.773 3.135 0 40 HGAB Cc1ccc(Oc2nccn3c(=O)n(CC(=O)Nc4cccc(Cl)c4)nc23)cc1 49008321 KZBQSMWSBGKTBZ-UHFFFAOYSA-N 409.833 3.284 0 40 HGAB O=C(NC1CCN(C(=O)c2cn(-c3ccc(Cl)cc3)nn2)CC1)c1cccs1 49406222 ODDOHZUZUFUIPS-UHFFFAOYSA-N 415.906 3.017 0 40 HGAB CS(=O)(=O)c1ccc(F)c(NC(=O)[C@@H]2CC(c3ccc(Cl)s3)=NO2)c1 55012362 ZUJPURDKUCMZCA-LBPRGKRZSA-N 402.856 3.076 0 40 HGAB CCOc1cc(C(=O)N2CSC[C@@H]2C(=O)NC(C)(C)C)cc(OCC)c1OCC 58217794 SFKDKFJFVROJOJ-OAHLLOKOSA-N 424.563 3.313 0 40 HGAB S=c1n(CCc2ccccn2)cnn1CN1CCN(c2cccc(Cl)c2)CC1 58310498 YZOMEDACDJGBCC-UHFFFAOYSA-N 414.966 3.485 0 40 HGAB Cc1c(-c2nc(-c3ccccc3)no2)sc2ncn(CC(=O)NC(C)C)c(=O)c12 64439131 POPFEMRCBXEKIL-UHFFFAOYSA-N 409.471 3.008 0 40 HGAB C[C@@H](Oc1ccc(C(=O)NCc2ccc(-n3cncn3)nc2)cn1)c1ccccc1 65547428 ZILLNVNEYVWIAY-MRXNPFEDSA-N 400.442 3.127 0 40 HGAB C[C@H](CCc1ccc(F)cc1)Nc1cc(Cn2c(=O)n(C)c3ccccc32)nc(N)n1 72373298 YSWRQCWXRUONNO-OAHLLOKOSA-N 420.492 3.333 0 40 HGAB CC(=O)N[C@](C)(C(=O)OCc1cnn(Cc2ccc(Br)cc2)c1)C1CC1 78988965 IGFXKKQVODNROE-IBGZPJMESA-N 420.307 3.042 0 40 HGAB COC(=O)[C@H](Nc1nc(CN2CCOCC2)nc2sc(C)c(C)c12)C(C)(C)C 79063842 HFCYUJNNKHVPQR-INIZCTEOSA-N 406.552 3.140 0 40 HGAB O=C(c1ccc[nH]1)c1cc(Cl)ccc1NC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 89767969 BVMRCBNCWZOCOE-SNVBAGLBSA-N 413.783 3.248 0 40 HGAB C[C@@H]1CN(C(=O)C2CCN(CC(F)(F)F)CC2)[C@H](C)CN1C(=O)OC(C)(C)C 95458813 WDHGYCBRDHLEEW-ZIAGYGMSSA-N 407.477 3.117 0 40 HGAB COc1ccc([C@H]2[C@H](C(=O)NCc3cccnc3)c3ccccc3C(=O)N2C)cc1 95478708 VUJCPKWMZXXBQQ-YADHBBJMSA-N 401.466 3.317 0 40 HGAB COc1cccc(N2C(=O)C[C@@H](c3c(C)nn(-c4nc5ccccc5o4)c3O)C2=O)c1 100068960 DRVSRBZYHVTFAN-HNNXBMFYSA-N 418.409 3.083 0 40 HGAB CCOCCCNS(=O)(=O)c1cc(C(=O)O)ccc1N[C@H](C)c1ccccc1 217508322 HJSCUQLRTWGTPH-OAHLLOKOSA-N 406.504 3.263 0 40 HGAB COc1cccc(N([C@@H](C)C(=O)NCCCc2ccccc2Cl)S(C)(=O)=O)c1 220176668 NNKRHSPEQPZIDC-HNNXBMFYSA-N 424.950 3.252 0 40 HGAB CCC(=O)N1CCc2cc(S(=O)(=O)NCCOc3ccccc3C(C)C)ccc21 223834119 JCQVKFUFOSCCIK-UHFFFAOYSA-N 416.543 3.466 0 40 HGAB Cc1cccc(OCCNC(=O)CCCN(c2ccc(F)cc2)S(C)(=O)=O)c1C 223932085 WUFJUNKKOUUSTN-UHFFFAOYSA-N 422.522 3.184 0 40 HGAB C[C@H](Oc1ccccc1)C(=O)Nc1cnc(N2CCN(c3ccccc3)CC2)nc1 224259131 VTTPAQXENBKRBM-SFHVURJKSA-N 403.486 3.209 0 40 HGAB CSc1ccc(S(=O)(=O)N(C)CC(=O)NCCCc2ccc(C)cc2)cc1 224783791 REUOYMLLQGCYRF-UHFFFAOYSA-N 406.573 3.086 0 40 HGAB CN(Cc1cccnc1)Cc1nc(C2(O)CCN(C(=O)CC(C)(C)C)CC2)cs1 225426547 GPRSQDIYZATVJI-UHFFFAOYSA-N 416.591 3.416 0 40 HGAB biogenic,in-vitro S=C(NC[C@H]1CCCO1)Nc1nc(Cl)cc(N2CCc3ccccc3C2)n1 225910763 DEHNWSJTDXXBSL-OAHLLOKOSA-N 403.939 3.158 0 40 HGAB CCc1onc(C)c1-c1cccc([C@@H]2CN(C(=O)CCN3CCCCC3)CCO2)n1 257263693 LRBGPCZLPYEOKV-NRFANRHFSA-N 412.534 3.383 0 40 HGAB CNC(=O)[C@]1(c2ccccn2)CCCN(C(=O)C2(c3ccc(OC)cc3)CCCC2)C1 257342523 ZPAVNXVMLZZOHR-RUZDIDTESA-N 421.541 3.208 0 40 HGAB COc1cc(C(=O)NC(=S)NC2C3CC4CC(C3)CC2C4)cc(OC)c1OC 408628909 XWZRENHAVMCVDQ-UHFFFAOYSA-N 404.532 3.141 0 40 HGAB COCCCNC(=O)Cn1cc(/C=C2\SC(=O)N(C(C)C)C2=O)c2ccccc21 409137842 ZBHVEYNPPVXHDI-WQRHYEAKSA-N 415.515 3.239 0 40 HGAB NC(=O)c1cc(NC(=O)c2cn(CCOc3ccccc3Cl)c3ccccc23)n[nH]1 679236448 FEPXTICQOSIZOP-UHFFFAOYSA-N 423.860 3.448 0 40 HGAB Cc1nc2ccccc2nc1N1CCC(N2CC(=O)N(c3ccccc3)C2=O)CC1 2298134473 JLNXQPBDPPRRHE-UHFFFAOYSA-N 401.470 3.376 0 40 HGAB O=C1c2oc3ccc(Br)cc3c(=O)c2[C@H](c2cccc(F)c2)N1CCO 2405046 WODPHXPXBKKHSB-INIZCTEOSA-N 418.218 3.232 0 40 HGAB COc1ccc2c(c1)C(=O)N(c1ccc(Cl)cc1)C(=O)/C2=C\N1CCN(C)CC1 3189339 WZBRXRQWMWGAIW-ZHZULCJRSA-N 411.889 3.124 0 40 HGAB Cc1c(NC(=O)CNc2cccc(Br)c2)c(=O)n(-c2ccccc2)n1C 3372030 RRSXBJMJFAYUDS-UHFFFAOYSA-N 415.291 3.298 0 40 HGAB CN(Cc1c(F)cccc1Cl)C(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 3439936 IIOORXDPJRANHC-CYBMUJFWSA-N 418.852 3.262 0 40 HGAB CCc1ccc(NC(=O)COC(=O)c2cccc(S(=O)(=O)N(CC)CC)c2)cc1 3445224 IVXFGFIVXPKYHD-UHFFFAOYSA-N 418.515 3.075 0 40 HGAB COc1ccc(-c2csc(NC(=O)c3nc4nc(C)cc(C)n4n3)n2)cc1OC 3450507 YIKHDRYQVZJUKZ-UHFFFAOYSA-N 410.459 3.134 0 40 HGAB CCOc1ccc(NS(=O)(=O)c2ccc(OC)c(N)c2)cc1Br 3885675 SMHXXZNWOSBTPP-UHFFFAOYSA-N 401.282 3.239 0 40 HGAB CCOC(=O)[C@H]1[C@H](c2ccc(Cl)c(Cl)c2)[C@@H](C(=O)OCC)C(=O)C[C@]1(C)O 4091288 WJPDDGQMYQUGSP-OLMMMNRUSA-N 417.285 3.159 0 40 HGAB CCOC(=O)C1CCN([C@@H](c2cccs2)c2sc3nc(CC)nn3c2O)CC1 4584767 YMCOMMGUPURAHT-HNNXBMFYSA-N 420.560 3.485 0 40 HGAB CCOC(=O)c1ccc(N2C[C@H](C(=O)O[C@H](CC)C(=O)c3ccccc3)CC2=O)cc1 4610599 YSPDOFUYTAKYDS-UYAOXDASSA-N 423.465 3.421 0 40 HGAB CCOc1ccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(OCC)cc2)cc1 4938389 SLOWLCJWRBBTHL-HXUWFJFHSA-N 418.515 3.276 0 40 HGAB O=C(CN1C(=O)N[C@](Cc2ccccc2)(c2ccccc2)C1=O)Nc1ccccc1F 5334884 JCEGELDRMDXEIV-XMMPIXPASA-N 417.440 3.454 0 40 HGAB COC(=O)c1cccc(S(=O)(=O)N2CCC(c3nc4ccc(C)cc4[nH]3)CC2)c1 5626079 CLYOVEKNLOQPRV-UHFFFAOYSA-N 413.499 3.226 0 40 HGAB COc1cc(CCC(=O)OCC(=O)N2c3ccccc3C[C@H]2C)cc(OC)c1OC 5693304 SAEQDQMVLDMMPM-OAHLLOKOSA-N 413.470 3.166 0 40 HGAB CCCCNC(=O)COC(=O)c1ccc(NS(=O)(=O)c2cc(C)ccc2C)cc1 6354803 QVUSWNQBAZSFDP-UHFFFAOYSA-N 418.515 3.177 0 40 HGAB Cc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NCc2ccccc2)cc1 6426934 ZVKLVNGLXQRBIM-JOCHJYFZSA-N 408.523 3.201 0 40 HGAB CCC(Nc1ccnn1C1CCCCC1)=C1C(=O)N(CC)C(=S)N(CC)C1=O 6590082 CFWNNXPGFRILPT-UHFFFAOYSA-N 403.552 3.460 0 40 HGAB C[C@@H]1CCCC[C@]12NC(=O)N(Cc1cc3c(cc1Br)OCCO3)C2=O 8132872 BSZRBOZVBCXCIU-ZMZPIMSZSA-N 409.280 3.221 0 40 HGAB COC(=O)[C@@](NC(=O)c1ccco1)(Nc1nc2c(C)cccc2s1)C(F)(F)F 9111420 ZQGVRGAMWIKYIS-MRXNPFEDSA-N 413.377 3.471 0 40 HGAB COC(=O)c1ccc(COC(=O)c2ccc3c(c2)C(=O)N(c2ccc(F)cc2)C3=O)o1 9283362 XQOPIKSURKAXLF-UHFFFAOYSA-N 423.352 3.363 0 40 HGAB NS(=O)(=O)c1ccc2nc(NC(=O)c3ccc(Br)s3)sc2c1 9354740 HKRVZVKPVRAZBQ-UHFFFAOYSA-N 418.319 3.020 0 40 HGAB CCNC(=O)c1cc(S(=O)(=O)NCc2ccc(Cl)cc2Cl)ccc1OC 10008887 SJGFDHFXNFBWPQ-UHFFFAOYSA-N 417.314 3.230 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccccc3OC(F)F)CC2)cc1C 11553137 YMEAHQHJKULHOJ-UHFFFAOYSA-N 424.469 3.052 0 40 HGAB CN(c1ccccc1C(=O)OCC(=O)c1ccc(C(C)(C)C)cc1)S(C)(=O)=O 11603528 VECVSOKNJGWLRT-UHFFFAOYSA-N 403.500 3.420 0 40 HGAB COc1ccc(S(=O)(=O)Nc2ccc(-c3cn4nc(OC)ccc4n3)cc2)cc1 11693569 XNYXTLTUIPDLTB-UHFFFAOYSA-N 410.455 3.214 0 40 HGAB COc1ccc(-c2cc(CNC(=O)[C@@H]3CC(=O)N(c4ccccc4)C3)no2)cc1OC 12639028 WWOFUSRKHMVZPG-MRXNPFEDSA-N 421.453 3.028 0 40 HGAB C[C@H](C(=O)Nc1cc(F)ccc1F)N1CCC(C(=O)Nc2ccccc2O)CC1 12797113 YEFPHUXFRPJYPS-CYBMUJFWSA-N 403.429 3.348 0 40 HGAB CCn1c(S)nc2cc(C(=O)Nc3cnc4c(cnn4C(C)C)c3)ccc2c1=O 12815873 IBGWKZCSKNNJKQ-UHFFFAOYSA-N 408.487 3.283 0 40 HGAB O=C(c1nc(-c2cccs2)n(-c2cccc(C(F)(F)F)c2)n1)N1CCOCC1 12819631 OTLXPSMQIKFLFK-UHFFFAOYSA-N 408.405 3.487 0 40 HGAB COc1ccc(NC(=O)CSc2nc3ccccc3n2CC(=O)N2CCCC2)cc1 12882182 APOGFWNSCGYWDF-UHFFFAOYSA-N 424.526 3.398 0 40 HGAB COC(=O)C[C@H](NC(=S)NC(=O)c1ccccc1)c1ccc(Br)cc1 12950786 SPFRLMUNKIJDKL-HNNXBMFYSA-N 421.316 3.358 0 40 HGAB C[C@H](NC(=O)C1CC1)C(=O)NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 12985608 QFQIUPFTHWAQHW-HNNXBMFYSA-N 406.461 3.209 0 40 HGAB C[C@H](OC(=O)c1ccc(NS(C)(=O)=O)cc1)C(=O)Nc1ccc(F)cc1Cl 12990940 DPDOZGSGUILXBK-JTQLQIEISA-N 414.842 3.035 0 40 HGAB COc1ccc(NC(=O)Cc2c(C)c3ccc(OC)c(OC)c3oc2=O)cc1OC 13572856 UFFRIRJKXJVLBJ-UHFFFAOYSA-N 413.426 3.317 0 40 HGAB CCC(C)(C)C1CCC(NC(=O)Cn2c(C(F)(F)F)ccc(C(N)=O)c2=O)CC1 14152982 VQCJXUXXEYBGPX-UHFFFAOYSA-N 415.456 3.077 0 40 HGAB Cc1nc(-c2ccc(CCNC(=O)CN3C(=O)COc4ccccc43)cc2)cs1 14199183 FPADGWILZULAIQ-UHFFFAOYSA-N 407.495 3.203 0 40 HGAB CC(C)N(C)S(=O)(=O)c1cccc(C(=O)Nc2ccc3c(c2)OC(F)(F)O3)c1 16104139 IXXVYWMAYSNRGV-UHFFFAOYSA-N 412.414 3.289 0 40 HGAB CCCCNS(=O)(=O)c1ccc2nc(NC(=O)CN3CCCCCC3)sc2c1 16740525 DWRQYKMHCKHQEY-UHFFFAOYSA-N 424.592 3.189 0 40 HGAB O=C(COC(=O)c1ccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1)c1ccc(F)cc1 17988334 BXXDWNDAWGFSBM-RTBURBONSA-N 407.397 3.321 0 40 HGAB Cc1cc(-c2cc(O)nnc2C2CCN(C(=O)Cc3cc(F)ccc3F)CC2)on1 19121202 GSCTUKPYVXOSOV-UHFFFAOYSA-N 414.412 3.373 0 40 HGAB O=C(c1cccnc1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)CN(CC1CCCCC1)CC2 19337551 YCKXGBNOGUBPFC-OAQYLSRUSA-N 421.545 3.081 0 40 HGAB O=C(c1cnccn1)N1CC[C@H]2[C@@H](C1)[C@H](c1ccsc1)CN2C(=O)c1ccccc1 19368983 FEENMTSQASRCRH-ZJOUEHCJSA-N 418.522 3.309 0 40 HGAB Cc1ccc2c(c1)cc(C(=O)Nc1cccc(NC(=O)CN3CCOCC3)c1)n2C 19655338 QLXUUIMNQLYOCO-UHFFFAOYSA-N 406.486 3.010 0 40 HGAB CNC(=O)[C@]1(Cc2cc(-c3ccccc3)no2)CCN(C(=O)Cc2ccc(F)cc2)C1 19696027 WIOVIGXOHUXRHF-DEOSSOPVSA-N 421.472 3.231 0 40 HGAB CNc1nc([C@H]2CCCN(C(C)=O)C2)nc2c1CN(C(=O)CC1CCCCC1)CC2 19710332 ZXAIMIRLERFEGM-SFHVURJKSA-N 413.566 3.099 0 40 HGAB O=C(c1ccc(-n2cccn2)nc1)N1CCN(c2ccccc2C(F)(F)F)CC1 19716572 OYWIWDDIERZLFN-UHFFFAOYSA-N 401.392 3.249 0 40 HGAB Cc1ccc([C@]2(O)CCN(C(=O)c3cc(N4CCOCC4)nc4ccccc34)C2)cc1 19718081 AUXWYHNCQZSBAA-VWLOTQADSA-N 417.509 3.114 0 40 HGAB CC(C)(C)c1cc(NC(=O)COC(=O)C(O)(c2ccccc2)c2ccccc2)on1 20049437 AEYSWULTYWDQSZ-UHFFFAOYSA-N 408.454 3.390 0 40 HGAB CCc1ccc(-c2cc3c(=O)n(CC(=O)NCc4ccccc4Cl)ncn3n2)cc1 21017744 RAPBPCFDZXBNPU-UHFFFAOYSA-N 421.888 3.090 0 40 HGAB COc1ccc2nc(S[C@H](C)C(=O)N3CCN(Cc4ccccc4)CC3)[nH]c2c1 21128415 DEXHYJRLCZSNEC-MRXNPFEDSA-N 410.543 3.397 0 40 HGAB Cc1cc(C)c(C(=O)[C@@H](C)Sc2nnc(C[C@H]3CCS(=O)(=O)C3)o2)cc1C 21624519 FHKGSADFPZVNAP-HUUCEWRRSA-N 408.545 3.336 0 40 HGAB CC1CCN(c2nc3c(c(=O)[nH]2)[C@H](C(=O)Nc2ccc(C(C)C)cc2)CC(=O)N3)CC1 22610061 CLGYGLYJSWWGJF-QGZVFWFLSA-N 423.517 3.194 0 40 HGAB COc1ccccc1CNC(=O)Cc1cc(O)nc(SCc2ccccc2F)n1 23138406 ATYFUKZLDZLETH-UHFFFAOYSA-N 413.474 3.481 0 40 HGAB O=C(CCCN1C(=O)c2ccccc2C1=O)NCC1(N2CCCCC2)CCCCC1 23487987 SDGXANZTZIGCRS-UHFFFAOYSA-N 411.546 3.368 0 40 HGAB Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)Sc1nccc(C(F)(F)F)n1 26480081 OBTVOHKOMIHUSC-LBPRGKRZSA-N 412.437 3.348 0 40 HGAB CSCC[C@H](NC(=O)c1ccccc1Br)C(=O)NCc1ccccn1 28200055 QAVKUOXIDGORHR-INIZCTEOSA-N 422.348 3.012 0 40 HGAB CCOc1ccccc1NC(=O)C1=C(C)Nc2nnnn2[C@H]1c1c[nH]c2ccccc12 28250615 CSIXSWHIQPGAGB-FQEVSTJZSA-N 415.457 3.481 0 40 HGAB O=C(CCc1nc(-c2ccc(Cl)cc2)no1)NCc1ccc(-n2ccnc2)nc1 29220281 XJPUYENWWBZRSN-UHFFFAOYSA-N 408.849 3.220 0 40 HGAB Cc1ccc(-c2nc(CN3C(=O)N[C@](C)(c4ccc5c(c4)OCO5)C3=O)co2)cc1 31644907 JYOCGBWNQDHPLH-JOCHJYFZSA-N 405.410 3.346 0 40 HGAB O=C(c1n[nH]c(=O)c2ccccc12)N1CCN(Cc2csc3ccccc23)CC1 32756941 LWHLLVWZBBBBKV-UHFFFAOYSA-N 404.495 3.096 0 40 HGAB CNS(=O)(=O)c1cc(NC(=O)c2c[nH]nc2-c2ccc(Cl)cc2)ccc1C 32889308 AVDQKCCAYQYYPR-UHFFFAOYSA-N 404.879 3.199 0 40 HGAB COc1ccc(/C=C2/SC(=O)N(CCC(=O)N3CCCCC3)C2=O)cc1OC 33342932 QFIZESLHASAFES-GHRIWEEISA-N 404.488 3.143 0 40 HGAB CCOC(=O)c1ccc(NC(=O)c2cc(-n3cnnc3)ccc2Br)cc1 35684129 RDEPUOWPVHHQOG-UHFFFAOYSA-N 415.247 3.459 0 40 HGAB COc1ccc(Cl)cc1-n1cnc2cc(C(=O)N3CCSCC3)ccc2c1=O 36353190 KVKOKUSTESEMDF-UHFFFAOYSA-N 415.902 3.237 0 40 HGAB c1ccc(CNc2nc(N3CCN(Cc4ccccc4)CC3)nc3nccnc23)cc1 36358827 SLVUTODAFOPAOL-UHFFFAOYSA-N 411.513 3.354 0 40 HGAB CC(C)Cn1c(CCC(N)=O)nnc1SCc1c(F)c(F)c(F)c(F)c1F 36395710 MSWBHOQHTNDZMF-UHFFFAOYSA-N 408.396 3.340 0 40 HGAB Cc1cc2oc(=O)cc(COC(=O)c3ccc(CNC(N)=O)cc3)c2cc1Cl 40160100 KFTJRBIKAUOVLQ-UHFFFAOYSA-N 400.818 3.280 0 40 HGAB O=C(Cn1nc2ccc(SC3CCCCC3)nn2c1=O)Nc1ccc2c(c1)CCC2 45922708 ITHGLKVFHPRCQR-UHFFFAOYSA-N 423.542 3.443 0 40 HGAB O=C(NCc1ccc(F)cc1C(F)(F)F)c1cccc(N2CCCS2(=O)=O)c1 48265346 RYIMDGRZHUABKW-UHFFFAOYSA-N 416.396 3.314 0 40 HGAB C[C@]12CCC(=O)N1[C@H](C(=O)Nc1ccc(C(=O)N3CCCCCC3)cc1)CS2 55741606 UDRWPQGBANLPGL-UWJYYQICSA-N 401.532 3.095 0 40 HGAB C[C@H](NC(=O)N[C@@H](C)c1nc2ccccc2[nH]1)c1cccc(NS(C)(=O)=O)c1 56925911 SZHYJUGPYPAWKF-STQMWFEESA-N 401.492 3.056 0 40 HGAB CC(C)CCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc3c(c2)CCC3)c1=O 57526216 ZHCXCMUMPUKRRJ-UHFFFAOYSA-N 405.498 3.337 0 40 HGAB O=C(CCCn1nnc(-c2ccccc2)n1)NC[C@H](c1ccccc1)N1CCCC1 58017672 KZMNGVAMVCDTNW-OAQYLSRUSA-N 404.518 3.074 0 40 HGAB CSc1cccc(NC(=O)[C@H](C)NC(=O)N2CCN(c3ccc(F)cc3)CC2)c1 61719374 CHCVBKLHIJCLPP-HNNXBMFYSA-N 416.522 3.406 0 40 HGAB CSc1nc2cc(C)n(CC(=O)NCc3ccccc3F)c2c(=O)n1CC(C)C 67320159 FFQJTAIONVIZNK-UHFFFAOYSA-N 416.522 3.340 0 40 HGAB CC(C)(C)OC(=O)N1CCN(CCCS(=O)(=O)c2ccc(F)cc2)C(C)(C)C1 72308683 MLYRTKYWHZAULA-UHFFFAOYSA-N 414.543 3.321 0 40 HGAB Cc1cc(C)n(C)c(=O)c1C(=O)N1CCC[C@H]1c1ccc2c(NC(C)C)n[nH]c2n1 72374542 TZAYDGTXNUUPBS-KRWDZBQOSA-N 408.506 3.071 0 40 HGAB COc1ccc(OC)c(NC(=O)COc2coc(CN3CCCCCC3)cc2=O)c1 72403100 NVXKGAIYAQLEON-UHFFFAOYSA-N 416.474 3.051 0 40 HGAB C[C@@H](NC(=O)COC(=O)c1cccc(-n2cnnn2)c1)c1ccc(Cl)c(Cl)c1 79381528 VTFKBOBPSNLTBT-LLVKDONJSA-N 420.256 3.003 0 40 HGAB CCC(CC)[C@H](C(=O)NC1CCN(Cc2ccc(F)cc2)CC1)N1CCOCC1 95401824 SSXJAMVETBKKKN-JOCHJYFZSA-N 405.558 3.043 0 40 HGAB Cc1cc(C(=O)NCCN2C(=O)S/C(=C/c3cccnc3)C2=O)c2ccccc2n1 96544308 XPOTZMRCEKNIHC-XDHOZWIPSA-N 418.478 3.405 0 40 HGAB COc1ccc2c(c1)O[C@@]1(C[C@@H]3CC[C@@H]1C[C@@H]3C(=O)NCc1cccs1)NC2=O 100181459 TWBQDQTVERPRNQ-OPBZVQAQSA-N 412.511 3.328 0 40 HGAB CC(C)N1CCC(c2cc(O)n3nc([C@H]4CCCN4C(=O)[C@H]4C[C@@H]4C)cc3n2)CC1 100213146 BGBDTQYDNVHUAY-RIFZZMRRSA-N 411.550 3.342 0 40 HGAB O=C(CN1CCN(C(=O)c2ccccc2C(F)(F)F)CC1)NCC1CCCCC1 106052851 ZTLHOXLMOCVHOW-UHFFFAOYSA-N 411.468 3.160 0 40 HGAB O=C(NCC(=O)N1CCC[C@H](Cc2nc(-c3ccccc3F)no2)C1)c1ccccc1 220673681 SJPXSMOYJZOTLB-MRXNPFEDSA-N 422.460 3.087 0 40 HGAB COCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1C[C@@H]1CCCO1 223047026 JMDQHMYQOQEKLZ-VDGAXYAQSA-N 400.548 3.071 0 40 HGAB CC(C)(C)c1ccc(OCCNC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)cc1 223836390 OETAWGFKZGSNHV-UHFFFAOYSA-N 422.522 3.084 0 40 HGAB CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1cc(C)ccc1OC 223936268 IZJPVWGEJLMESU-GOSISDBHSA-N 406.504 3.196 0 40 HGAB O=S(=O)(NC[C@@](O)(c1ccsc1)c1ccco1)c1ccc(F)c(Cl)c1 244975152 IDLDWDOQYALYND-MRXNPFEDSA-N 401.868 3.348 0 40 HGAB Cc1ccccc1C(=O)NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H](N2CCOCC2)CC1 257317836 VLJFEPPKFOWIPA-DGWZTRNLSA-N 422.569 3.299 0 40 HGAB CN(c1ccc(Cl)c(C(=O)NC[C@H]2CCCO2)c1)S(=O)(=O)c1ccccc1 260561607 LFSWXCIEDJKPDX-OAHLLOKOSA-N 408.907 3.074 0 40 HGAB COc1ccc(-c2cnc3n2C[C@]2(CCN(C(=O)c4csc(C)n4)C2)OC3)cc1 306123922 BALNDZYCKJCXSK-OAQYLSRUSA-N 410.499 3.139 0 40 HGAB O=C(c1ccoc1)N1CCN(CC2CC2)[C@@H](c2cn3c(N4CCCC4)cccc3n2)C1 306131663 KLNQGWFUFUMPHB-OAQYLSRUSA-N 419.529 3.437 0 40 HGAB Cc1ccc(N2C[C@@H](C(=O)Oc3ccc(N4C(=O)CCCC4=O)c(C)c3)CC2=O)cc1 408638744 DHOPBHCVSFGJNE-KRWDZBQOSA-N 420.465 3.305 0 40 HGAB COc1cc(C(=O)N2CCC(C(=O)Nc3ccc(F)cc3)CC2)cc(OC)c1OC 409022156 GWELVWJZYQVVIJ-UHFFFAOYSA-N 416.449 3.342 0 40 HGAB CCC[C@@H](C)NC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(F)cc1 409340211 SFWFWXFDOOAEHU-OAHLLOKOSA-N 408.495 3.334 0 40 HGAB CCCn1cc(C(=O)Nc2cc(NC(=O)CN3CCCC[C@H]3C)ccc2F)cn1 513710097 OOGHHHXFZFMXPG-OAHLLOKOSA-N 401.486 3.497 0 40 HGAB COC(=O)c1cccc(CN2C(=O)N[C@@](Cc3ccccc3)(c3ccccc3)C2=O)n1 565872208 PUURDUUMWPNYFA-DEOSSOPVSA-N 415.449 3.058 0 40 HGAB Cc1cc(C)c(S(=O)(=O)N(Cc2ccccc2)[C@@H]2C=CS(=O)(=O)C2)cc1C 575423848 RULUAYXXFDHCHJ-LJQANCHMSA-N 405.541 3.113 0 40 HGAB O=C(N1CC(Oc2ccnc(C(F)(F)F)c2)C1)C1(c2ccccc2)CCOCC1 1776008303 AMBZNZYOXXDDEA-UHFFFAOYSA-N 406.404 3.438 0 40 HGAB Cc1nc(-c2ccccc2F)sc1C(=O)N1C[C@H]2CN(c3cnccn3)C[C@@H]2C1 1888918232 DNYKLYLNQSSLLR-HUUCEWRRSA-N 409.490 3.256 0 40 HGAB COC(=O)c1ccc([C@@H]2C(C(=O)OCC(C)C)=C(C)N=C3SCCC(=O)N32)cc1 2502006 OFTIKJWRJCMKDK-GOSISDBHSA-N 416.499 3.323 0 40 HGAB COCCn1c(SCC(=O)c2ccc(OC)c(OC)c2)nc2ccccc2c1=O 2626689 HGEJWWGIRVJSRQ-UHFFFAOYSA-N 414.483 3.035 0 40 HGAB CC1(C)C(=O)Nc2ccccc2N1C(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O 2654721 DDCMDTZPGGJOKI-UHFFFAOYSA-N 413.783 3.284 0 40 HGAB Cc1cccc(-n2nnnc2SCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)c1 2660720 ILKSRZDJMSKDBQ-UHFFFAOYSA-N 410.528 3.440 0 40 HGAB Cc1ccc(-n2c(S[C@H](C)C(=O)NC(N)=O)nc3cc(Cl)ccc3c2=O)cc1 3410796 QGVCLDKNEDDPGN-LLVKDONJSA-N 416.890 3.023 0 40 HGAB COCCn1c(SCC(=O)Nc2nccs2)nnc1-c1c[nH]c2ccccc12 4138664 XNRQYFACAZOZDK-UHFFFAOYSA-N 414.516 3.260 0 40 HGAB Cc1c(Cl)cccc1N1C[C@H](C)Cn2c1nc1c2c(=O)n(CC(C)C)c(=O)n1C 4249479 RWVFIZWPECWINW-ZDUSSCGKSA-N 415.925 3.302 0 40 HGAB O=C(CSc1nnc2[nH]c(=O)cc(-c3ccccc3)n12)N1CCCc2ccccc21 4250028 DYWSEVZSCNCWOO-UHFFFAOYSA-N 417.494 3.156 0 40 HGAB CCOC(=O)C1=C(C)Nc2nc(SCC(C)C)[nH]c(=O)c2[C@H]1c1ccncc1 4292284 LUYHKBBUZIPCGD-HNNXBMFYSA-N 400.504 3.308 0 40 HGAB CC(=O)Nc1cccc(NC(=O)CSc2nc3sc(C)c(C)c3c(=O)[nH]2)c1 4861528 KINKCYSEZNZMCW-UHFFFAOYSA-N 402.501 3.291 0 40 HGAB CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cccc(F)c3)C2)cc1 4966960 BAMSFLIZKIRXRT-HNNXBMFYSA-N 406.479 3.264 0 40 HGAB CC(C)N(C(=O)CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O)c1ccccc1 5342584 GTWYFCBQXLMDLW-HXUWFJFHSA-N 404.470 3.072 0 40 HGAB CCOc1cc(/C=c2\sc3n(c2=O)CCN=3)ccc1OCc1ccc(Cl)cc1 5553017 VZKWIXAVNFVEQU-UNOMPAQXSA-N 414.914 3.003 0 40 HGAB COc1ccc2c(CC(=O)Nc3cccc(S(=O)(=O)N4CCCC4)c3)coc2c1 5636343 RGCKYLGWMVCZPG-UHFFFAOYSA-N 414.483 3.407 0 40 HGAB C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)NCc3ccc(F)cc3)cc2)C1 6268308 IEEOVMJOQCJCLB-HOTGVXAUSA-N 404.507 3.422 0 40 HGAB C[C@H](C(=O)NCc1cc[nH]n1)n1nc(C(F)(F)F)c(Br)c1C1CC1 6413150 YKCHAKVLWSLZKZ-SSDOTTSWSA-N 406.206 3.142 0 40 HGAB Cc1occc1-c1nnc(S[C@@H](C(=O)NC(N)=O)C(C)C)n1Cc1ccccc1 6532198 DFDMJAREYRTBSO-MRXNPFEDSA-N 413.503 3.206 0 40 HGAB Cc1ccc(-n2nnnc2SCC(=O)Nc2ccc(CN3CCCC3)cc2)cc1 7274116 JPSGRVDYLVVDMO-UHFFFAOYSA-N 408.531 3.297 0 40 HGAB O=C(CCC(=O)N1CCN(c2ccc(F)cc2)CC1)c1ccc2c(c1)OCCCO2 7954447 ZVXPBSBKSAGRFP-UHFFFAOYSA-N 412.461 3.299 0 40 HGAB O=C(Nc1ccc2c(c1)CCC2)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 8241340 QDIMEEGOOKLXEZ-KRWDZBQOSA-N 402.491 3.354 0 40 HGAB C[C@H](NC(=O)CN1C(=O)N[C@](C)(c2ccc(F)cc2)C1=O)c1ccc2c(c1)CCCC2 9058093 BFSUAXQRAAFZME-IZHWHUGBSA-N 423.488 3.349 0 40 HGAB COc1cc(Br)c(Br)c(/C=C2/SC(=O)NC2=O)c1O 9296547 MFYWJKJWWXYZHX-FARCUNLSSA-N 409.055 3.250 0 40 HGAB Cn1cc(OCc2ccccc2)c(=O)cc1C(=O)N1CCN(c2ccc(F)cc2)CC1 12069854 VYRSRENUOMHGEZ-UHFFFAOYSA-N 421.472 3.066 0 40 HGAB Cc1ccc(-c2c(-c3cc(C)no3)cnn2CCNC(=O)c2oc(C)nc2C)cn1 12223182 SIXWXVUAHIIZIP-UHFFFAOYSA-N 406.446 3.252 0 40 HGAB CC[C@H]1Oc2ccc([C@@H](O)c3ccco3)cc2N(CC(=O)NC2CCCCC2)C1=O 12233537 PZCFQHLLRNMFAM-XMSQKQJNSA-N 412.486 3.314 0 40 HGAB Cc1c(Cl)cccc1NC(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCCO2 12848567 OJQSBGLJZKOMQM-UHFFFAOYSA-N 424.906 3.117 0 40 HGAB C[C@H]1CCCCN1S(=O)(=O)c1ccc(-n2ncc(Cl)c(Cl)c2=O)cc1 12922101 UJKLEMSUXARKTF-NSHDSACASA-N 402.303 3.102 0 40 HGAB CCN(CC)Cc1ccc(CNC(=O)c2ccc3c(=O)n4c(nc3c2)CCC4)cc1 12987361 JPFWLESUAZYCOF-UHFFFAOYSA-N 404.514 3.115 0 40 HGAB CCC(CC)[C@H](CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)N1CCOCC1 12997273 RMGIYEGRMKSCSF-KRWDZBQOSA-N 424.485 3.001 0 40 HGAB COc1cccc2ccc([C@@H]3C(NC(=O)c4ccccc4)=C(C)N=C4NC=NN43)nc12 13720099 ZLRJLHKSFGDANA-OAQYLSRUSA-N 412.453 3.164 0 40 HGAB C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)c3cc4c(s3)CCC4)cc2)C[C@@H](C)O1 14139694 NOBOYOPTHLQXNY-OKILXGFUSA-N 420.556 3.287 0 40 HGAB O=C(CNC(=O)c1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1)NC1CC1 14242272 LPUZDLKJLSQCFV-UHFFFAOYSA-N 408.889 3.260 0 40 HGAB Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@@H]2CCCN21 15996922 GDODBXYULPSREU-QPXQOZNCSA-N 421.884 3.080 0 40 HGAB c1cnc(N2CCN(c3ncc(-c4cccs4)c(-c4cccnc4)n3)CC2)nc1 19340144 GQXHMCDPRFSQLE-UHFFFAOYSA-N 401.499 3.384 0 40 HGAB C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1nc3c(s1)CCCCCC3)C2=O 19496136 ICDOEJQMGORRCM-ZUOKHONESA-N 404.536 3.241 0 40 HGAB CCC[C@H](c1nnnn1Cc1ccc(OC)cc1)N1CCN(Cc2ccccc2)CC1 19501930 VLMZIRYVMQEMHY-HSZRJFAPSA-N 420.561 3.389 0 40 HGAB CCn1cc(CN2CCN(CC(=O)Nc3cccc(-c4csc(C)n4)c3)CC2)cn1 19524970 BCRYGDMCSDZHHT-UHFFFAOYSA-N 424.574 3.091 0 40 HGAB COc1cccc(C(=O)N2CCC(Nc3nc(-c4ccsc4)cc(=O)[nH]3)CC2)c1 19564268 XGLDYFRREIHBOQ-UHFFFAOYSA-N 410.499 3.224 0 40 HGAB CN(C)C(=O)[C@]1(Cc2ccccc2-c2ccccc2)CCN(C(=O)[C@@H]2CCCO2)C1 19579887 BOPXUIINDMAGTK-DHLKQENFSA-N 406.526 3.382 0 40 HGAB Cc1cc(C)n([C@H](C(=O)Nc2ccc3c(c2)N(S(C)(=O)=O)CCC3)C(C)C)n1 19656249 QYAJZRBKBDGLSZ-IBGZPJMESA-N 404.536 3.048 0 40 HGAB COc1ccc([C@H]2c3nc[nH]c3CCN2C(=O)c2c(C)nc3c(C)cccn23)cc1 19660900 OJISQMSTWYDFLJ-NRFANRHFSA-N 401.470 3.471 0 40 HGAB COc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCN3C(=O)c2cccnc2)c(C)c1 19819324 IXHVKMVCAUEKAB-UHFFFAOYSA-N 423.494 3.402 0 40 HGAB Cn1c(=O)n(C)c2cc(NS(=O)(=O)c3ccc(Oc4ccccc4)cc3)ccc21 20456773 YTPOQVYRFXMJIE-UHFFFAOYSA-N 409.467 3.470 0 40 HGAB COc1ccc(-c2cc(CSc3nnc(C[C@H]4CCS(=O)(=O)C4)o3)on2)cc1 22133028 MMEDZFBZXYDBQK-GFCCVEGCSA-N 421.500 3.003 0 40 HGAB CCS(=O)(=O)N(C)c1cc(OC)c(OC)cc1C(=O)Nc1ccc(C)cc1C 22252613 IEVDAZIOOSDGLW-UHFFFAOYSA-N 406.504 3.359 0 40 HGAB CC[C@H](C)NC(=O)c1cc(OC)c(OC)cc1N(Cc1ccccc1)S(C)(=O)=O 22253231 UIMCVJVPWPLCDV-HNNXBMFYSA-N 420.531 3.198 0 40 HGAB Cc1noc(C)c1S(=O)(=O)N1CCN(Cc2ccc(Cl)cc2Cl)CC1 22892622 ZALHGZZHUXVJAF-UHFFFAOYSA-N 404.319 3.105 0 40 HGAB CCOc1ccc(S(=O)(=O)NCCCN2CCc3ccccc32)cc1OCC 23058300 UQITYQNBHKGZMY-UHFFFAOYSA-N 404.532 3.215 0 40 HGAB COC(=O)c1cccc2c1CCCN2S(=O)(=O)c1cccc(Br)c1 24351487 CZLIGWDGLZXVMT-UHFFFAOYSA-N 410.289 3.377 0 40 HGAB O=C(NCCSC1CCCCC1)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 24606767 NCYLDIOHEQWBDA-HNNXBMFYSA-N 416.634 3.331 0 40 HGAB Cc1cc(NC(=O)CN2CCC(C(=O)N3CCCC3)CC2)ccc1Br 24991571 WFPBGKYLDQSOPP-UHFFFAOYSA-N 408.340 3.030 0 40 HGAB CNc1snc(C)c1C(=O)OCc1nc(N)nc(Nc2ccc(Cl)cc2)n1 25057701 DPNSWMDBBQQUAE-UHFFFAOYSA-N 405.871 3.014 0 40 HGAB CSc1ccc(N2C[C@H](C(=O)NCc3ccccc3Cn3cccn3)CC2=O)cc1 26647242 YLRUAJMGPRPKCQ-LJQANCHMSA-N 420.538 3.323 0 40 HGAB CCOc1ccc(NCC(=O)Nc2ccc(C)cc2)cc1S(=O)(=O)N1CCCC1 29936847 ODRDCSWHEBFQKG-UHFFFAOYSA-N 417.531 3.229 0 40 HGAB C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)NCc1cccnc1N1CCOCC1 32637873 DCDHUIOINIQNEP-CYBMUJFWSA-N 410.301 3.309 0 40 HGAB Cc1cccc(N2N=C(C(=O)Nc3ccc(C(=O)c4nccn4C)cc3)CCC2=O)c1 32721723 OLJOVIBFPLDXIF-UHFFFAOYSA-N 415.453 3.081 0 40 HGAB Cc1ccc(CN(CCc2ccccc2)S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)s1 32895699 MONWDMCOIPLJGM-IAGOWNOFSA-N 408.589 3.455 0 40 HGAB O=C(CCc1ccccc1)NC1CCN(C(=O)COc2ccccc2Cl)CC1 32924932 ZPTJOEJCBOSATL-UHFFFAOYSA-N 400.906 3.459 0 40 HGAB NC(=O)c1cc(NC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)ccc1F 33062641 WUCUPYCJYXUGMM-UHFFFAOYSA-N 419.459 3.039 0 40 HGAB O=C(NCc1ccc(N2CCCCCC2)nc1)[C@H]1CCCN(C(=O)c2ccco2)C1 40122100 REOVGXWYRGXTHR-IBGZPJMESA-N 410.518 3.224 0 40 HGAB Cc1ccc(O[C@H](C)C(=O)N2CCN(c3nccs3)CC2)c(Br)c1 45036805 OFKMIPLCIMIHEF-CYBMUJFWSA-N 410.337 3.330 0 40 HGAB Cc1ccc(N2CCN(C(=O)[C@@H]3CC(=O)N(c4ccc(F)c(Cl)c4)C3)CC2)cc1 57416661 QLWGLZRKMPKSCB-MRXNPFEDSA-N 415.896 3.489 0 40 HGAB CC(C)CCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(F)cc2F)c1=O 57525989 FFWNYSGBIZZPOZ-UHFFFAOYSA-N 401.413 3.126 0 40 HGAB C[C@H]1CN(C(=O)c2cc(-c3ccc4c(c3)OCO4)on2)[C@@H](C)CN1Cc1ccco1 57796541 KTSUUGLZKJOLKJ-GJZGRUSLSA-N 409.442 3.398 0 40 HGAB CCOC(=O)c1ccn(-c2cccc(NC(=O)NCC3(N(C)C)CCCCC3)c2)n1 58308223 CRYWOYWQXSZOHW-UHFFFAOYSA-N 413.522 3.435 0 40 HGAB CSc1nnnn1-c1cccc(NC(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)c1 58308455 OYKRGCJAFQIRHA-SNVBAGLBSA-N 412.500 3.069 0 40 HGAB O=C(O)[C@H]1CC12CCN(C(=O)C1(c3ccc(Br)cc3)CCOCC1)CC2 69893336 SWFSFKOXHRIQNI-MRXNPFEDSA-N 422.319 3.211 0 40 HGAB C[C@H](NC(=O)CCC[S@](=O)c1ccc(Br)cc1)C(C)(C)CN(C)C 72297868 ZVSYDZKYKYZOBF-LFPIHBKWSA-N 417.413 3.429 0 40 HGAB CC(=O)N1Cc2ccccc2OC2(CCN(C(=O)CCCn3nc(C)cc3C)CC2)C1 72394345 ROLMJZZUKZUBIY-UHFFFAOYSA-N 424.545 3.082 0 40 HGAB COc1cccc(C(=O)Nc2cc(N3CCN(c4ccccc4)CC3)ncn2)c1OC 77200533 KVOLFCVBNWAOPM-UHFFFAOYSA-N 419.485 3.073 0 40 HGAB Cc1nc2n(n1)CCC[C@@H]2NC(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1 79048994 QOJZHRNVJSFMIR-HNNXBMFYSA-N 405.487 3.161 0 40 HGAB COc1ccc(OCCCC(=O)N[C@H](C(=O)Nc2cn[nH]c2)c2ccccc2)cc1 89453801 NRARNQOGHHYBJT-NRFANRHFSA-N 408.458 3.074 0 40 HGAB Cc1n[nH]c(C)c1[C@H]1COCCN1c1cc(C(F)(F)F)nc(-c2ccncc2)n1 95451681 QNGGHFNWSGOLPA-CQSZACIVSA-N 404.396 3.475 0 40 HGAB CC(C)CCNC(=O)c1cnc(-c2noc3cc(N4CCN(C)CC4)ccc23)s1 96154603 NLHHOXSJIRNXFJ-UHFFFAOYSA-N 413.547 3.479 0 40 HGAB Cc1ccc(N(CN2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@@H]3C2=O)C(=O)C(F)(F)F)c(C)c1 100394859 LVXFLKUWBMVGIP-UJARPBSLSA-N 418.415 3.209 0 40 HGAB COc1cc([C@@H]2C=C(c3cccc(NC(C)=O)c3)Nc3ncnn32)cc(OC)c1OC 100755688 VMSJHPMZOGNWCG-SFHVURJKSA-N 421.457 3.318 0 40 HGAB Cc1ccc(N2C(=O)[C@@H]3ON=C(c4ccc(F)cc4)[C@H]3C2=O)c(Br)c1 101359127 JFBRZAOPWSNAJU-GDBMZVCRSA-N 403.207 3.189 0 40 HGAB CC/N=c1\nc(NCC)nc2n1[C@@](O)(Nc1ccc(Oc3ccccc3)cc1)CS2 102916293 WKWZRTQYNRZZKE-NRFANRHFSA-N 424.530 3.243 0 40 HGAB CCc1ccc(N([C@@H](C)C(=O)NCCCc2cccc(OC)c2)S(C)(=O)=O)cc1 220283197 QSAGDLYMQBHDJF-KRWDZBQOSA-N 418.559 3.161 0 40 HGAB Cc1cc(C)cc(N(CCCC(=O)Nc2ccc3c(c2)OCO3)S(C)(=O)=O)c1 222567409 VDSAXLJYKHZAEQ-UHFFFAOYSA-N 404.488 3.217 0 40 HGAB COc1ccc(CCNC(=O)[C@@H](C)N(Cc2ccccc2)C(=O)C(C)C)cc1OC 222758209 GSJUQBJSQXRLJS-GOSISDBHSA-N 412.530 3.436 0 40 HGAB CCN(CC(=O)Nc1ccc(C)cc1Br)S(=O)(=O)c1ccccc1 223062414 BYFRPXLSQRRVJJ-UHFFFAOYSA-N 411.321 3.407 0 40 HGAB Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)s1 223168150 JWCJEZOMUXUWBV-RTBURBONSA-N 402.589 3.146 0 40 HGAB COC(=O)CN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccc(OC)c(C)c1 224650042 SZTZPOSIKBNWFQ-UHFFFAOYSA-N 401.843 3.164 0 40 HGAB CCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)COc1cc(OC)cc(OC)c1 224657228 OCERJAAFKAJUSQ-KRWDZBQOSA-N 414.502 3.026 0 40 HGAB COc1ccc(-c2noc(C(=O)N3CCN(c4ccccc4)CC3)c2[C@H](C)O)cc1 225429892 SVHQVMKZEPPBKG-INIZCTEOSA-N 407.470 3.366 0 40 HGAB biogenic,in-vitro COc1ccc(CNC(=O)Cn2ccc(=O)c3cc(Br)ccc32)cc1 225726638 LZQMVSWCXBBGEI-UHFFFAOYSA-N 401.260 3.089 0 40 HGAB CC[C@@H](NC(=O)[C@H](C)Oc1ccc(N(C)S(C)(=O)=O)cc1)c1ccc(OC)cc1 260796065 OZORYQPMDACXCN-MGPUTAFESA-N 420.531 3.126 0 40 HGAB Cc1cc(OC2CCN(C(=O)[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)CC2)nc(C)n1 390827478 YKHPUJYQNCFBDE-QGZVFWFLSA-N 418.538 3.110 0 40 HGAB C[C@@H]1C=CC[C@@H]2C(=O)N(c3ccc(C(=O)Nc4ccccc4C(=O)O)cc3)C(=O)[C@H]21 408673587 UAPLLPHSXWRNAU-FMEYXAORSA-N 404.422 3.339 0 40 HGAB O=C(NCc1ccc(C(F)F)cc1)C(=O)N(CCO)[C@H]1CCCc2ccccc21 502830576 QDFQATVIQFKSTI-IBGZPJMESA-N 402.441 3.139 0 40 HGAB Cc1cccc(Nc2cc([C@@H]3CCCN(C(=O)/C=C/c4cnn(C)c4)C3)nc(C)n2)n1 585292270 ZOKOLNKEILOMKZ-JBVUFVISSA-N 417.517 3.385 0 40 HGAB O=C1NCCOCCOc2ccc(-c3ccc(F)cc3F)cc2CN2CCC[C@H]1C2 643571738 SMIAWVJXJUTNDO-KRWDZBQOSA-N 416.468 3.369 0 40 HGAB C[C@H]1CCCCN1CC(=O)Nc1ccc(F)c(NC(=O)c2ccc3nc[nH]c3n2)c1 680426458 OREDOVWDLDJKMV-ZDUSSCGKSA-N 410.453 3.162 0 40 HGAB COc1ccc(C(=O)Oc2c(I)cc(C=O)cc2OC)cc1 1438890 ZZBLILCVJQFOGU-UHFFFAOYSA-N 412.179 3.340 0 40 HGAB O=C1[C@H]2CCCCN2C(=O)N1CCCCN1CCN(c2cccc(Cl)c2)CC1 2183635 HVAZFJRSXVFBPC-LJQANCHMSA-N 404.942 3.059 0 40 HGAB COC[C@H](C)OC(=O)c1c(N)n(-c2ccc3c(c2)OCO3)c2nc3ccccc3nc12 2336446 XUZCMQNIFMIKML-LBPRGKRZSA-N 420.425 3.076 0 40 HGAB CSCC[C@@H]1NC(=O)N(CC(=O)N[C@H](C)c2ccc(-c3ccccc3)cc2)C1=O 3398592 VWMXSZGVHYIXLH-BEFAXECRSA-N 411.527 3.204 0 40 HGAB C[C@@]1(c2ccc(OC(F)F)cc2)NC(=O)N(CC(=O)NCCC2=CCCCC2)C1=O 3464470 ZKZCYUFJUOSJMC-NRFANRHFSA-N 421.444 3.062 0 40 HGAB COc1ccc(CNC(=O)COC(=O)c2c(C)nn(Cc3ccccc3)c2C)cc1 3499895 QCXAHIZPDGRSCI-UHFFFAOYSA-N 407.470 3.030 0 40 HGAB O=C(CCCOc1ccccc1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 3517574 QTIIHYMOFSHNLO-UHFFFAOYSA-N 422.934 3.032 0 40 HGAB O=C(NCCCOc1ccc(OCCCNC(=O)c2ccco2)cc1)c1ccco1 4051191 DTMACVBWWYMVNM-UHFFFAOYSA-N 412.442 3.270 0 40 HGAB Cc1cc(C)c2cc(CN(CCCN(C)C)C(=S)NCC(C)C)c(=O)[nH]c2c1 4162010 HGDCDYCJBIPDRK-UHFFFAOYSA-N 402.608 3.429 0 40 HGAB COC(=O)C1=C(C(=O)OC)[C@H]2C[C@@H]1[C@H]1[C@@H](c3ccccc3)N(c3ccccc3)O[C@@H]12 4350242 NEDBHIHBGHFCBX-LJQVGOIWSA-N 405.450 3.457 0 40 HGAB CCc1cccc(CC)c1NC(=O)COC(=O)c1ccc(N2C(=O)CCC2=O)cc1 4351980 VOXIOCNJIGVTPU-UHFFFAOYSA-N 408.454 3.260 0 40 HGAB CCc1ccc(NC(=O)Cn2cnc3c(cnn3-c3cccc(C)c3C)c2=O)cc1 4479192 ISXAXFSYDOSEQO-UHFFFAOYSA-N 401.470 3.400 0 40 HGAB CCc1nc2sc([C@H](c3cccs3)N3CCC4(CC3)OCCO4)c(O)n2n1 4584892 UGQLNMFGGXGDQB-AWEZNQCLSA-N 406.533 3.049 0 40 HGAB CCOC(=O)N1CCC(NC(=O)C[C@@H](C)CC(=O)Nc2ccc(Cl)cc2)CC1 4690976 ADDKMHRGUHRVRW-AWEZNQCLSA-N 409.914 3.432 0 40 HGAB COc1cccc([C@H]2C(C(=O)Nc3ccc(OC)cc3OC)=C(C)Nc3ncnn32)c1 4937628 MRVNKNYUZYMIKY-FQEVSTJZSA-N 421.457 3.232 0 40 HGAB Cn1c(CC(=O)Nc2ccccc2)nnc1SCC(=O)Nc1cccc(Cl)c1 6479960 BDWWHUWAWFXQMC-UHFFFAOYSA-N 415.906 3.381 0 40 HGAB CN(C)[C@H](CNC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12)c1ccccc1 6544293 UZOZQIFPASEKRY-JOCHJYFZSA-N 412.493 3.418 0 40 HGAB O=C(N(Cc1nc2ccccc2c(=O)[nH]1)C[C@H]1CCCO1)C1(c2ccccc2)CC1 6657804 VFGMEGWDAKZSEK-GOSISDBHSA-N 403.482 3.163 0 40 HGAB Cc1c(OCC(=O)N2CC[C@]3(O)CCCC[C@H]3C2)ccc2c3c(c(=O)oc12)CCC3 6933524 OALWAJUQFFMZPU-UPCLLVRISA-N 411.498 3.123 0 40 HGAB biogenic CC(=O)c1cccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3cc(C)cc(C)c3)C2)c1 8037878 RCBDVQGCDOQRFD-GOSISDBHSA-N 408.454 3.041 0 40 HGAB C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 8310497 TWPBGMPCHBCGCB-DNVCBOLYSA-N 409.486 3.111 0 40 HGAB O=C(Cn1c(=O)cnc2ccccc21)N1CCC[C@H](c2nc3ccccc3s2)C1 8777414 JQGJHPXCCFKHJI-HNNXBMFYSA-N 404.495 3.412 0 40 HGAB O=C(NC[C@@H](c1ccsc1)N1CCCCCC1)C(=O)Nc1ccc2c(c1)OCO2 8893096 CPMIVAALUXGRKN-KRWDZBQOSA-N 415.515 3.149 0 40 HGAB O=C1NC2(CCCC2)C(=O)N1CC(=O)N1CCc2sccc2[C@H]1c1cccs1 9337004 OTKYNSJARNSORN-KRWDZBQOSA-N 415.540 3.148 0 40 HGAB Cc1ccc2c(c1)[C@H](O)CC1(CCN(C[C@H](O)c3ccc4c(c3)OCCO4)CC1)O2 12329335 ZUOGIJIWJSTVCM-UXHICEINSA-N 411.498 3.150 0 40 HGAB COc1ccc(NC(=O)C2(c3ccc(F)cc3)CCC2)cc1S(=O)(=O)N(C)C 12765271 RMGFNTHJUQFWSZ-UHFFFAOYSA-N 406.479 3.145 0 40 HGAB Cc1cccc(C)c1OCCOC(=O)CCNS(=O)(=O)c1ccccc1Cl 12796399 QKVJXJVLYOXXIX-UHFFFAOYSA-N 411.907 3.247 0 40 HGAB CNC(=O)c1ccc(NC(=O)c2ccc(OCC(=O)N3[C@H](C)CCC[C@H]3C)cc2)cc1 12805180 IWNINUDXYWCBFG-IAGOWNOFSA-N 423.513 3.467 0 40 HGAB Cc1ccc(C)c(NC(=O)[C@H](C)Sc2nnc(-c3ccco3)n2CCC(N)=O)c1 12945732 MKJHDHFJFPUBBA-AWEZNQCLSA-N 413.503 3.150 0 40 HGAB O=C(CCc1nc2sc3c(c2c(=O)[nH]1)CCC3)NCc1ccc(OC(F)F)cc1 12995292 UKRGXEBMKVKPHM-UHFFFAOYSA-N 419.453 3.324 0 40 HGAB C[C@@H](NC(=O)CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)c1ccccc1 13073255 TVPUVJLDUBUMNG-CYBMUJFWSA-N 416.421 3.131 0 40 HGAB CC(C)(C)OC(=O)[C@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OC(C)(C)C)[C@@H]1c1ccccc1 13563723 QVFPDSCSUILPAI-YDSTWLSQSA-N 404.503 3.410 0 40 HGAB CCc1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cc(F)ccc2OC)C1 13580625 ARHMPMDENBPEEL-MRXNPFEDSA-N 420.506 3.436 0 40 HGAB C[C@@H](NC(=O)COc1ccc(F)cc1Br)c1ccc(-n2cncn2)cc1 14170300 SPVGYEOWNRRVOQ-GFCCVEGCSA-N 419.254 3.425 0 40 HGAB C[C@H](C(=O)NCC(F)(F)F)N(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 16046635 JMCZYVBQGGPHHH-GFCCVEGCSA-N 404.385 3.088 0 40 HGAB O=C(CCS(=O)(=O)c1ccccc1Cl)Nc1ccc2c(c1)OC(F)(F)O2 16103890 UFZYKELMRVVKCO-UHFFFAOYSA-N 403.790 3.464 0 40 HGAB Cc1ccc(OCc2nc(C(=O)N3Cc4ccccc4C[C@H]3C(N)=O)cs2)cc1 16260361 WLBKDSFKNAZZJD-IBGZPJMESA-N 407.495 3.083 0 40 HGAB Cc1cc(/C=c2\sc3nc4ccccc4n3c2=O)c(C)n1NC(=O)c1ccccc1 16268246 WCZRDPMDNBIKHV-MOSHPQCFSA-N 414.490 3.259 0 40 HGAB O=C(Nc1cccc(Br)c1)c1ccc(=O)n(CCOc2ccccc2)n1 16925728 XKLSAIJXVGVARP-UHFFFAOYSA-N 414.259 3.337 0 40 HGAB Cc1c(C(=O)OCc2nnc3n(C)c(=O)c4ccccc4n23)sc2ccccc12 18816060 JHAKNBWKNVQBML-UHFFFAOYSA-N 404.451 3.461 0 40 HGAB C[C@H](C(=O)N1CCC[C@H](c2nc(-c3cccnc3)no2)C1)n1cnc2ccccc21 19078454 TUZFPDAVGVNNJF-WBVHZDCISA-N 402.458 3.449 0 40 HGAB O=C(C1CCCC1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)CCN(Cc1ccccc1F)C2 19349396 SGXKOPMQMRRSAI-NRFANRHFSA-N 424.520 3.321 0 40 HGAB CC(C)c1nccn1[C@@H](C)C(=O)N1CCN([C@@H](c2ccccc2)c2nccn2C)CC1 19454291 IGWGVNDWRJBDPJ-FPOVZHCZSA-N 420.561 3.235 0 40 HGAB COc1cccc([C@@H](CNC(=O)c2cn(C)c(=O)c3ccccc23)N2CCCC2)c1 19663827 WQLAYZHKYSFMJM-JOCHJYFZSA-N 405.498 3.114 0 40 HGAB Cc1cc(C)n(-c2ccc(Cl)c(C(=O)N3Cc4ccccc4C[C@H]3C(N)=O)c2)n1 19666455 CRBIBFKKWCNZTB-FQEVSTJZSA-N 408.889 3.195 0 40 HGAB O=C(CN1CCCC1)N1CC[C@H](c2ccc3c(NCc4ccc(F)cc4)n[nH]c3n2)C1 19704985 ZHMPCMUBQOVVKS-KRWDZBQOSA-N 422.508 3.121 0 40 HGAB Cc1ccn(CCC(=O)N2CCC[C@H](c3nc(C)c4c(n3)N(CC3CC3)CCC4)C2)n1 19706981 UUSYQCIYFYPUAJ-FQEVSTJZSA-N 422.577 3.249 0 40 HGAB COc1ccc(NC(=O)c2cnc([C@H]3CCN(C(=O)c4cccnc4)C3)nc2C)cc1 19759021 FXCDQMDSDVOMCB-KRWDZBQOSA-N 417.469 3.071 0 40 HGAB CCOC(=O)CSc1nc2nc3c(cn2n1)C(=O)C[C@H](c1ccc(Cl)cc1)C3 20796027 VTFZSDJTKQPLKS-GFCCVEGCSA-N 416.890 3.346 0 40 HGAB O=C(CSc1nc(O)c2c(n1)CCN(Cc1ccc(F)cc1)C2)NC1CCCC1 21526175 RPTKHNPFZZZWGB-UHFFFAOYSA-N 416.522 3.031 0 40 HGAB Cn1c(=O)c2ccccc2n2c(CSc3nncn3-c3cccc(Cl)c3)nnc12 22082168 SBRKOJCXWXPFQS-UHFFFAOYSA-N 423.889 3.108 0 40 HGAB COc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2C(=O)NCc2ccc(Cl)cc2)c1 22229650 MZGMPOXHRKMXQD-GOSISDBHSA-N 422.934 3.127 0 40 HGAB O=C(NCCc1nc2ccccc2[nH]1)c1ccc(=O)n(Cc2ccccc2Cl)c1 22371638 RHXFJIGCAJOPSW-UHFFFAOYSA-N 406.873 3.399 0 40 HGAB CCOC(=O)c1ccc(NC(=O)CN(c2cccc(C)c2)S(C)(=O)=O)c(Cl)c1 22432217 YIYFFYDKZDMPIP-UHFFFAOYSA-N 424.906 3.230 0 40 HGAB CC(=O)NCCCc1ccc(C(=O)COC(=O)c2cc3c(C)nn(C)c3s2)cc1 22887404 ZTCLFRSVHQHIPQ-UHFFFAOYSA-N 413.499 3.052 0 40 HGAB O=C(CCC(=O)c1ccc2c(c1)OCCO2)OCc1nc(-c2ccsc2)no1 23271991 ZVSRRUOCJVRMNA-UHFFFAOYSA-N 400.412 3.276 0 40 HGAB O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)c1cc(F)c(F)c(F)c1F 23805105 QHLQKPXXJYWRLT-HNNXBMFYSA-N 400.347 3.185 0 40 HGAB O=C(Cc1cc(Cl)c2c(c1)OCCO2)N1CCC(C(=O)N2CCCCCC2)CC1 24618144 XMCIIBTXBQRKDS-UHFFFAOYSA-N 420.937 3.295 0 40 HGAB C[C@@H](C(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1)n1ccc(C(F)(F)F)n1 27974044 NDWPEFKUGPEJRL-QMMMGPOBSA-N 418.422 3.115 0 40 HGAB Cc1ccc([C@H](C)NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)N(C)C)cc1 30862242 GAIZQMCXANJWFP-SFHVURJKSA-N 403.548 3.102 0 40 HGAB O=C1C[C@H](c2ccco2)Cc2c1cnc1nc(NCCc3ccccc3)[nH]c(=O)c21 30903376 ITBFPQJPHXRIRO-OAHLLOKOSA-N 400.438 3.478 0 40 HGAB C[C@@H](NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1ccc(F)cc1 31692023 AVDGXCRGCXGWSO-MRXNPFEDSA-N 404.507 3.245 0 40 HGAB O=C1COc2cc(S(=O)(=O)NC3CCCCCCC3)c(Br)cc2N1 32825593 AJUMOZCZKXCWRD-UHFFFAOYSA-N 417.325 3.171 0 40 HGAB CCCc1n[nH]c(SCC(=O)Nc2sc3c(c2C(=O)OC)CC[C@@H](C)C3)n1 32883927 XJTGVSASYVXVJW-SNVBAGLBSA-N 408.549 3.461 0 40 HGAB CCN(CC)C(=O)[C@H](C)NC(=O)/C=C/c1cccc(OCc2csc(C)n2)c1 32925706 WHFOSBREXZKPMO-NKSUMMKUSA-N 401.532 3.417 0 40 HGAB COc1cccc(NC(=O)CN(Cc2ccco2)S(=O)(=O)c2ccccc2)c1 32957810 QJBKYTZGDOZEGF-UHFFFAOYSA-N 400.456 3.118 0 40 HGAB O=C(NCCC(=O)N1CCN(C/C=C/c2ccccc2)CC1)c1ccccc1Cl 32962496 NCTQFZFLBVGRNU-RMKNXTFCSA-N 411.933 3.318 0 40 HGAB NS(=O)(=O)c1ccc(CNC(=O)c2csc(Nc3cccc(Cl)c3)n2)cc1 36704613 GSQZPVDAFDFMAN-UHFFFAOYSA-N 422.919 3.118 0 40 HGAB CN1CCN(C(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@H](c2ccc(F)cc2)N3)CC1 38177101 KJCNWIBVQCNNPG-ZBFHGGJFSA-N 411.403 3.070 0 40 HGAB CC(C)Oc1cccc(CNC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)c1 46655432 VBDSNHKYENIEQF-UHFFFAOYSA-N 416.543 3.191 0 40 HGAB Cn1cc(S(=O)(=O)N2CCCCC2)cc1C(=O)N1CCCCc2ccccc21 48363650 OVTLIGPREOTALN-UHFFFAOYSA-N 401.532 3.183 0 40 HGAB Cc1ccc(C(=O)NC2CCN(C(=O)c3cn(-c4cccc(F)c4)nn3)CC2)cc1C 49406055 DFNPTORYHFWXGR-UHFFFAOYSA-N 421.476 3.058 0 40 HGAB CCOC(=O)c1sccc1NC(=O)CSc1nc2cc(C)[nH]c2c(=O)n1CC 57522128 ISDDZMAVWIAVRS-UHFFFAOYSA-N 420.516 3.022 0 40 HGAB NC(=O)c1ccc(-c2cnc(N)nc2[C@@H]2CCCN(C(=O)C3CCCCC3)C2)cc1 72345984 CGXKBEWYMRIBKN-GOSISDBHSA-N 407.518 3.111 0 40 HGAB COC(=O)[C@@H](Nc1nc(CN2CCOCC2)nc2sc(C)c(C)c12)C(C)(C)C 79063850 HFCYUJNNKHVPQR-MRXNPFEDSA-N 406.552 3.140 0 40 HGAB CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(C)cc3)CC2)cc1 89633482 QKGBTTHBSBKWTO-UHFFFAOYSA-N 400.500 3.237 0 40 HGAB O=C1[C@H]2CCCC[C@@H]2C(=O)N1c1ccccc1-c1nc(=O)c(-c2ccc(F)cc2)n[nH]1 89821235 RUDIHTBCSAYPHG-HOTGVXAUSA-N 418.428 3.318 0 40 HGAB COc1ccccc1C[C@@H](CNC(=O)c1cnn(C(C)C)c1C(F)(F)F)C(=O)O 95464096 CESBAQCIMRXWFX-ZDUSSCGKSA-N 413.396 3.165 0 40 HGAB CC(C)CCN1Cc2c(C(=O)N3CCC[C@H]3C)ncn2-c2ccccc2S1(=O)=O 96147512 LCAAUKDCGXWOTP-MRXNPFEDSA-N 416.547 3.047 0 40 HGAB Cc1nn(Cc2ccc(F)cc2Cl)c(C)c1N1C(=O)[C@H]2[C@@H]3CC[C@H](O3)[C@@H]2C1=O 102014543 MNNBMQCYKDQJSJ-QAETUUGQSA-N 403.841 3.008 0 40 HGAB COc1cc(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@@H]3C=C[C@H]2[C@H]2C[C@H]32)c(OC)cc1Br 102093515 HNOWGZJYQOAROQ-BNOWJYDQSA-N 422.275 3.174 0 40 HGAB CS(=O)(=O)c1ccc(CCC(=O)NCc2cncc(-c3ccsc3)c2)cc1 218813769 HHVVAINAFQCHTC-UHFFFAOYSA-N 400.525 3.463 0 40 HGAB CCc1cccc(CC)c1NC(=O)CCCN1C(=O)c2ccccc2S1(=O)=O 219436440 ILVXRNAYJPXWDR-UHFFFAOYSA-N 400.500 3.375 0 40 HGAB C[C@H](NC(=O)CN(c1ccc(C(F)(F)F)cc1)S(C)(=O)=O)c1ccc(F)cc1 220050443 MAFOXKPBVXQVOK-LBPRGKRZSA-N 418.412 3.488 0 40 HGAB Cc1ccccc1CNC(=O)[C@@H](C)N(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 220192701 PXLBJHVQZSQNHG-CQSZACIVSA-N 414.449 3.485 0 40 HGAB CC[C@H](C(=O)N[C@@H](C)c1ccc(C)cc1)N(c1cccc(OC)c1)S(C)(=O)=O 220631020 TYUODYMVDWULGZ-OXJNMPFZSA-N 404.532 3.426 0 40 HGAB Cn1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c1 223954111 KLHXSDOBWRELEC-VXKWHMMOSA-N 419.554 3.434 0 40 HGAB COc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCCc3ccccc3)c2)cc1 224036805 PAORGQNKUPIEPI-UHFFFAOYSA-N 410.495 3.469 0 40 HGAB CCOC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(OC)c(OC)c1 224793989 XDORUYGVWVKEJC-UHFFFAOYSA-N 407.488 3.079 0 40 HGAB COc1ccc(N(CC(=O)O)S(=O)(=O)c2cc(Cl)ccc2Cl)cc1OC 224932339 GTKLBGIZOFXGNN-UHFFFAOYSA-N 420.270 3.291 0 40 HGAB CC(C)Oc1ccccc1NC(=O)[C@@H](C)Oc1ccc(N(C)S(C)(=O)=O)cc1 225426786 CVFYWPTTWHLQRQ-OAHLLOKOSA-N 406.504 3.276 0 40 HGAB CC[C@H](NC(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O)c1ccc(OC)c(C)c1 225731247 NSWHKMJAPKVVOR-IBGZPJMESA-N 420.531 3.046 0 40 HGAB CCCNC(=O)Cc1c(C)nc([C@H]2CCCN(C(=O)CC3CCCC3)C2)nc1C 257267652 MIGBHZSYVHXRKM-IBGZPJMESA-N 400.567 3.448 0 40 HGAB CC(C)Oc1ccc([C@H]2CN(C(=O)c3cccc(-c4cncnc4)n3)CCN2C)cc1 257283365 OXZIYIUGUGEYOH-HSZRJFAPSA-N 417.513 3.455 0 40 HGAB Cc1nc([C@H]2CCN(C(=O)[C@@H](C)c3ccccc3)C2)nc(C)c1CC(=O)N1CCCC1 257311832 ULEOWPJLROFOCY-UWJYYQICSA-N 420.557 3.378 0 40 HGAB Cc1ncc(-c2cncc(C[C@@H]3CCCN(C(=O)c4ccc5[nH]cnc5c4)C3)n2)n1C 257312744 UPIYREZAXTYAHY-INIZCTEOSA-N 415.501 3.157 0 40 HGAB Cc1ccc(-c2ccc3c([C@@H]4CN(C(=O)c5ccncc5)CCN4C)nnn3c2)cc1 306131416 KDWKMMJQROYYNQ-QFIPXVFZSA-N 412.497 3.229 0 40 HGAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccccc2F)cc1Cl 408602053 HOWYBGDYQCIGHX-NSHDSACASA-N 400.859 3.183 0 40 HGAB CSc1cccc(NC(=O)CCCN(c2ccc3c(c2)OCO3)S(C)(=O)=O)c1 408704705 RRBIXOTWZNBSHW-UHFFFAOYSA-N 422.528 3.322 0 40 HGAB C[C@H](SCC(=O)Nc1cccc(C(=O)N2CCOCC2)c1)c1nc2ccccc2[nH]1 500274906 TVDSSFYFHZYCCJ-HNNXBMFYSA-N 424.526 3.468 0 40 HGAB Cn1ccc2c(NC(=O)c3ccc4c(c3)nc(O)n4CC(F)(F)F)cccc2c1=O 505773820 SDUSKQTXQPDODM-UHFFFAOYSA-N 416.359 3.408 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCC[C@H](n3cnc4ccccc4c3=O)C2)cc1Cl 575616155 HSUIIMANFXUGNR-HNNXBMFYSA-N 417.918 3.384 0 40 HGAB Cc1c(C(=O)N2Cc3ccnn3[C@H](CC(=O)NCc3ccco3)C2)oc2ccccc12 585095837 OQPOFLFMSAIHBM-QGZVFWFLSA-N 418.453 3.434 0 40 HGAB CCCN1CCN(C(=O)CCN)C[C@H](Cc2cccc(-c3ccccc3F)c2)C1=O 585183553 ADBNMFYTKSBMOE-FQEVSTJZSA-N 411.521 3.081 0 40 HGAB Cc1cc(O)nc(-c2cccc(-n3c[n+]([O-])c(C(=O)Nc4ccccc4)c3C)c2)n1 1547200827 JFGUXZFPYDQLLE-UHFFFAOYSA-N 401.426 3.142 0 40 HGAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C)cc3)c(=O)n2[C@H]1c1cccs1 631421 PIQOTOUIFJISFJ-GTVARFKMSA-N 424.547 3.168 0 40 HGAB Cc1cc(C)cc(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@]4(C(=O)Nc5ccc(C)cc54)[C@@H]3C2=O)c1 2110742 QPVPQRVSCZMANI-PDFGSZSQSA-N 415.493 3.043 0 40 HGAB biogenic O=C1CN(C(=O)COC(=O)c2ccccc2NCc2ccco2)c2ccccc2N1 3295106 IDBQUAYMVJHVGJ-UHFFFAOYSA-N 405.410 3.034 0 40 HGAB Cc1ccc(S(=O)(=O)N[C@H](C(=O)N[C@H]2CCCc3ccccc32)C(C)C)cc1 3329849 WNCGZDFQWQAIIK-SFTDATJTSA-N 400.544 3.492 0 40 HGAB C[C@H](Sc1nc2ccccc2s1)C(=O)N1CCN(C(=O)c2ccco2)CC1 3349105 SUJDWANAZJUPAJ-ZDUSSCGKSA-N 401.513 3.355 0 40 HGAB COc1ccc2[nH]c3c(c2c1)CCN1C(=O)CN([C@H](C)c2ccccc2)C(=O)[C@]31C 4073296 BWBUFHYNUAEQPI-MYYSRTQBSA-N 403.482 3.380 0 40 HGAB biogenic CC(C)COc1ccc(C(=O)OCC(=O)N(C)CC(=O)Nc2ccc(F)cc2)cc1 4332834 DHMCGMTUPSUSIH-UHFFFAOYSA-N 416.449 3.114 0 40 HGAB COc1ccc(-n2c(SCC(=O)O)nc3c([nH]c4ccccc43)c2=O)cc1OC 4341951 DYAOUOVHULWFKV-UHFFFAOYSA-N 411.439 3.061 0 40 HGAB COc1ccc(-c2nc3scc(CCNC(=O)COc4ccccc4)n3n2)cc1 4374785 DXGHQXWWWGOXHZ-UHFFFAOYSA-N 408.483 3.204 0 40 HGAB CC(=O)Nc1sc(C)c(C)c1C(=O)O[C@@H](C(=O)N1CCOCC1)c1ccccc1 5470979 BKEQTXQZNDCMAF-GOSISDBHSA-N 416.499 3.080 0 40 HGAB COc1ccc(NC(=O)C[C@@H]2C(=O)Nc3ccccc3N2C(=O)c2ccco2)cc1 5880079 IRIULJROKYADDV-GOSISDBHSA-N 405.410 3.285 0 40 HGAB CC1CCN(C(=O)CN2C(=O)NC(Cc3ccccc3)(Cc3ccccc3)C2=O)CC1 5973571 SQSILUKOOLWFQV-UHFFFAOYSA-N 419.525 3.021 0 40 HGAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)CN2c3ccccc3C[C@@H]2C)c1 6549658 FZJCHEFDIHSSHN-INIZCTEOSA-N 401.532 3.107 0 40 HGAB Cc1cc(C(=O)CN2C(=O)N[C@H](CCc3ccccc3)C2=O)c(C)n1CC(F)(F)F 6650510 FMUMFTDIZYRTRH-QGZVFWFLSA-N 421.419 3.403 0 40 HGAB O=C(OCC(=O)c1ccc(Cl)s1)c1ccc(S(=O)(=O)N2CCCC2)cc1 6829024 MCQNCZRFLONYGM-UHFFFAOYSA-N 413.904 3.226 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(CNC(=O)Cn2c(C)cc3ccccc32)cc1 7241512 DASLNWNEZRNEJY-UHFFFAOYSA-N 413.543 3.297 0 40 HGAB CCCCNC(=O)COc1ccc(S(=O)(=O)Nc2ccc(OC)cc2)cc1C 7361860 RKULRWSFDLRGTA-UHFFFAOYSA-N 406.504 3.100 0 40 HGAB CCCOC(=O)c1ccc(N2C[C@H](C(=O)O[C@@H](C)C(=O)c3ccccc3)CC2=O)cc1 7881371 MNSCSCLODJIBJR-QFBILLFUSA-N 423.465 3.421 0 40 HGAB COc1ccc(Cn2nnnc2S[C@H](C)C(=O)N[C@H]2CCCc3ccccc32)cc1 8327249 PXWNRNPKCIXGDY-QRWLVFNGSA-N 423.542 3.404 0 40 HGAB C[C@H](Cc1nnc(NC(=O)CS(=O)(=O)c2ccccc2)s1)c1ccccc1 9095514 QIVNFAYPUUJIPU-CQSZACIVSA-N 401.513 3.297 0 40 HGAB O=C(Nc1ccc2nc(N3CCOCC3)sc2c1)c1ccc(-c2nnco2)cc1 9386099 OUPDZAWEXRAWMB-UHFFFAOYSA-N 407.455 3.435 0 40 HGAB CCc1ccc(C(=O)[C@H](C)OC(=O)CCNS(=O)(=O)c2ccc(Cl)cc2)cc1 9514659 LVZJIEGZYRDXKY-AWEZNQCLSA-N 423.918 3.385 0 40 HGAB CCOc1ccc(-n2nnnc2CNC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1 9570489 XBDRVTUDPYJLGM-UHFFFAOYSA-N 415.881 3.188 0 40 HGAB CS(=O)(=O)N(CC(=O)NCc1ccccc1)c1ccc(OCc2ccccc2)cc1 9584302 DFAOSCGCHURRRZ-UHFFFAOYSA-N 424.522 3.348 0 40 HGAB Cc1cc(C)cc(NC(=O)CSc2nccn(-c3ccc4c(c3)OCCO4)c2=O)c1 9761359 JOKGCSLEFFXZIX-UHFFFAOYSA-N 423.494 3.351 0 40 HGAB CCN(CC)C(=S)SCC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 9882793 DIUMQKSLNJOZAD-UHFFFAOYSA-N 414.618 3.404 0 40 HGAB COc1ccc(/C=C/C(=O)N[C@@H](C)C(=O)N2CCc3[nH]c4ccccc4c3C2)cc1 9901124 RTSDBGRJGKSFPN-YHVDPYDOSA-N 403.482 3.279 0 40 HGAB CCC(=O)N1CCCc2ccc(NS(=O)(=O)CCc3ccc(OC)cc3)cc21 11612440 XNOOVUJZNCFZMA-UHFFFAOYSA-N 402.516 3.369 0 40 HGAB O=C(COc1ccc(Br)cc1F)Nc1cccc(C(=O)NC2CC2)c1 11867874 RGQYMRIMUSUWOS-UHFFFAOYSA-N 407.239 3.498 0 40 HGAB COc1cccc([C@@H]2CNC[C@H]2c2cc(O)nc(NCc3ccc4c(c3)OCO4)n2)c1 12163777 JGNXOYCHKQHQPK-ZWKOTPCHSA-N 420.469 3.002 0 40 HGAB CCOC(=O)Cc1csc(NC(=O)c2cc(O)c(OCc3ccccc3)cn2)n1 12168489 IGHUWYSVSRXHOF-UHFFFAOYSA-N 413.455 3.181 0 40 HGAB CS(=O)(=O)c1ccc(CC(=O)N[C@@H](Cc2ccsc2)c2cccnc2)cc1 12228488 DPSPDEDJHKXNBA-IBGZPJMESA-N 400.525 3.189 0 40 HGAB CN(C)Cc1ccc(C(=O)N2CCC(c3nc(O)cc(-c4ccccn4)n3)CC2)cc1 12325652 SMIJDWDKYKWOCK-UHFFFAOYSA-N 417.513 3.326 0 40 HGAB Cc1ccc(NC(=O)CCCCCNC2=NS(=O)(=O)c3ccccc32)cc1F 12821009 CUJSWHCATJURGF-UHFFFAOYSA-N 403.479 3.372 0 40 HGAB COCC(=O)Nc1nc2n(n1)[C@@H](c1ccc(OC)cc1)C[C@H](c1ccc(OC)cc1)N2 13127421 CHKWJTCAEYFHKQ-RTBURBONSA-N 423.473 3.027 0 40 HGAB COc1ccc(F)cc1S(=O)(=O)N(C)CC(=O)Nc1ccc(C)c(Cl)c1 13580986 WFCITNUFFCZLIT-UHFFFAOYSA-N 400.859 3.055 0 40 HGAB C[C@H]1C[C@H](C)CN(CCCNS(=O)(=O)Cc2ccc(Br)cc2)C1 13670841 NXAMPIZTOZBHMO-GJZGRUSLSA-N 403.386 3.237 0 40 HGAB O=S(=O)(c1ccc(NC(=S)Nc2ccc(Cl)cc2)cc1)N1CCOCC1 13752506 OFLFBCCDNSXGSP-UHFFFAOYSA-N 411.936 3.170 0 40 HGAB Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(OCC(N)=O)cc1)S[C@H](C)C(=O)N2 13995313 FSORGLZTDPZYSX-VLIAUNLRSA-N 422.510 3.208 0 40 HGAB CCn1c(=O)c(=O)[nH]c2cc(C(=O)NCC(c3ccccc3)c3ccccc3)ccc21 14236773 UXNJXBLMUSPEGA-UHFFFAOYSA-N 413.477 3.272 0 40 HGAB Cc1ccc(NC(=O)[C@@H](C)OC(=O)CCn2nc(-c3cccs3)oc2=O)c(C)c1 16367035 DKBNUNUEYYICBS-CQSZACIVSA-N 415.471 3.142 0 40 HGAB NC(=O)c1c(NC(=S)NC(=O)c2cccc(Br)c2)sc2c1CCC2 16386145 IFAMLDGBXIWRDX-UHFFFAOYSA-N 424.345 3.225 0 40 HGAB Cc1nn(CC(C)C)c2sc(C(=O)O[C@H](C)C(=O)NC(=O)NC(C)(C)C)cc12 17107846 UMWZFKWMQXHHAB-GFCCVEGCSA-N 408.524 3.232 0 40 HGAB C[C@H](CCC(=O)N[C@@H](c1ccc(Cl)cc1)c1cccnc1)N1CCN(C)CC1 19455586 BGEWVEZQVKTWKK-VGSWGCGISA-N 400.954 3.357 0 40 HGAB CNC(=O)[C@]1(Cc2ccc(-c3ccccc3F)cc2)CCCN(C(=O)CCOC)C1 19591077 GWOMXNPNEOFAJQ-DEOSSOPVSA-N 412.505 3.427 0 40 HGAB COCCOc1ccc(CN2CC[C@@]3(CCc4ccccc4C(=O)N3)C2)cc1OC 19593755 INMOPQUSYKOJAN-DEOSSOPVSA-N 410.514 3.041 0 40 HGAB CCc1cc2c(=O)n(CC(=O)NCc3cccc(N4CCCCC4)c3)cnc2s1 19714835 RBNKSLRYANZCAM-UHFFFAOYSA-N 410.543 3.327 0 40 HGAB Cc1nccn1-c1ccccc1CNS(=O)(=O)c1ccc(Br)cc1 20044024 LDCVSBFOAZJNRD-UHFFFAOYSA-N 406.305 3.422 0 40 HGAB Cc1noc(C)c1S(=O)(=O)N1CCC[C@H]1C(=O)Oc1cccc(Cl)c1Cl 21587433 WKSIJWNEZXTKHH-LBPRGKRZSA-N 419.286 3.357 0 40 HGAB O=S(=O)(CCN1CCN(Cc2csc3ccccc23)CC1)Oc1ccccc1 22018956 ALBVBVSSGYNXMX-UHFFFAOYSA-N 416.568 3.428 0 40 HGAB CC[C@@H](C)NS(=O)(=O)c1ccc(OCC(=O)N[C@@H](C)c2ccc(F)cc2)cc1 22536784 KOPCQUNEKALEEZ-CABCVRRESA-N 408.495 3.159 0 40 HGAB CCc1nc2sc([C@H](c3ccccc3Cl)N3CCN(CC)CC3)c(O)n2n1 22578004 HHLCRLOFFCOWAD-INIZCTEOSA-N 405.955 3.439 0 40 HGAB Cc1cccc(C)c1NC(=O)CN1CCN(CC(=O)N(c2ccccc2)C(C)C)CC1 22785965 KZFZFOCCOIYCEW-UHFFFAOYSA-N 422.573 3.301 0 40 HGAB Cc1ccccc1-c1noc(CN2CCN(CC(=O)Nc3cccc(C)c3C)CC2)n1 22916583 YBCZBMSBODQRMU-UHFFFAOYSA-N 419.529 3.418 0 40 HGAB O=S(=O)(NC[C@H](c1cccs1)N1CCOCC1)c1ccc2ccccc2c1 23107941 BIUZQZSQAFWHRB-LJQANCHMSA-N 402.541 3.253 0 40 HGAB CC(=O)Nc1cc(NC(C)=O)cc(C(=O)N(C)CCOc2cccc(Cl)c2)c1 24188564 BQBWIWUVFAZYFG-UHFFFAOYSA-N 403.866 3.408 0 40 HGAB Cc1cc(NC(=O)Cn2cnc3sc4c(c3c2=O)CCCC4)n(-c2ccccc2)n1 31627156 ILKZVYFXHVVMCS-UHFFFAOYSA-N 419.510 3.470 0 40 HGAB O=C(Cc1cn2ccccc2n1)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 32377576 ASQUVQGUFUOWFS-UHFFFAOYSA-N 417.296 3.168 0 40 HGAB O=C(NC[C@H](c1cccs1)N1CCCC1)c1cccc(NC(=O)[C@@H]2CCCO2)c1 32762784 PMJFJLCOQNEHQS-MOPGFXCFSA-N 413.543 3.433 0 40 HGAB O=C(NC[C@@H](c1ccco1)N1CCCC1)C1CCN(C(=O)c2ccsc2)CC1 32772369 ZGBFHXNOBXQWLQ-SFHVURJKSA-N 401.532 3.147 0 40 HGAB O=C(COCC(F)(F)F)N(Cc1ccccc1)Cc1nc2ccccc2c(=O)[nH]1 40132214 CFWINQCUGPUSRC-UHFFFAOYSA-N 405.376 3.031 0 40 HGAB CC(C)c1ccc(OCCOC[C@H](O)CN2CCN(Cc3ccccc3)CC2)cc1 40373302 ZTBDWELRIPVKSV-XMMPIXPASA-N 412.574 3.384 0 40 HGAB COc1ccc(S(=O)(=O)NCCCc2cccc(C)c2)cc1N1CCCC1=O 44850535 LKROPQAHRLYKIH-UHFFFAOYSA-N 402.516 3.042 0 40 HGAB O=C(NCc1ccc(N2CCCCCC2)nc1)C1=NN(Cc2ccccc2)C(=O)CC1 48333398 XFIGKCJDTOCBFM-UHFFFAOYSA-N 419.529 3.257 0 40 HGAB C[C@@H](C(=O)Nc1cccc(NC(=O)c2cc(-c3cccnc3)on2)c1)n1cccn1 48354879 VZWMDKCOXQVKFI-AWEZNQCLSA-N 402.414 3.385 0 40 HGAB COCCCNC(=O)C1CCN(c2ncccc2-c2nc(-c3ccccc3)no2)CC1 49006509 IMUMNAZWJIHAFE-UHFFFAOYSA-N 421.501 3.168 0 40 HGAB Cc1ccccc1-n1c(=O)c2sccc2n(CC(=O)N(C)C2CCCCC2)c1=O 57489738 GERNACSOFICQTE-UHFFFAOYSA-N 411.527 3.313 0 40 HGAB O[C@H](COc1ccc2ccccc2c1)Cn1nc(N2CCOCC2)sc1=S 65565709 VYNCXBCYBZKXFM-INIZCTEOSA-N 403.529 3.104 0 40 HGAB CCCCN(CC)C(=O)Cn1nc2c(Sc3ccc(C)cc3C)nccn2c1=O 67255596 OXFMEQNHBFXTIW-UHFFFAOYSA-N 413.547 3.308 0 40 HGAB O=C(CCn1ccn2nc(-c3ccc(F)cc3)cc2c1=O)NCc1ccccc1F 67261098 HGCIXAFFSXOBLQ-UHFFFAOYSA-N 408.408 3.148 0 40 HGAB COC(=O)COc1c(C)cc(C(=O)N(C)CC(=O)Nc2cc(C)ccc2C)cc1C 79053270 VJTHYSXNMFUEMI-UHFFFAOYSA-N 412.486 3.183 0 40 HGAB CC(C)S(=O)(=O)Cc1ccc(NC(=O)N2CCC(Cc3nccn3C)CC2)cc1 95431001 FWVXASSKNSLBDH-UHFFFAOYSA-N 418.563 3.230 0 40 HGAB O=C(C[C@@H]1COCCN1c1ncnc2c1cnn2-c1ccccc1)c1cccs1 95467659 CGOJDOYBEXCKCP-MRXNPFEDSA-N 405.483 3.355 0 40 HGAB CCOC(=O)Cn1/c(=N/C(=O)c2ccccc2F)sc2cc(OC)c(OC)cc21 101035730 XEIMXTRUODXWDX-XDOYNYLZSA-N 418.446 3.163 0 40 HGAB CC[C@@H](C(=O)N[C@H](C)c1ccc(OC)cc1)N(c1cccc(OC)c1)S(C)(=O)=O 220630787 AFEBDUFPSLTSLS-QRWLVFNGSA-N 420.531 3.126 0 40 HGAB CC[C@@H](C(=O)NCCc1ccccc1)N(c1cc(Cl)ccc1OC)S(C)(=O)=O 220753331 CSQQXSWRUUNTOH-KRWDZBQOSA-N 424.950 3.252 0 40 HGAB CC[C@@H](NC(=O)c1ccc(C)c(N(C)S(C)(=O)=O)c1)c1ccc(OC)c(OC)c1 222465214 PPWHPUDAMRJGNI-QGZVFWFLSA-N 420.531 3.289 0 40 HGAB Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)NCc3ccccc3Cl)s2)c1 222789119 XWBIXAXDZUJTGU-UHFFFAOYSA-N 422.919 3.231 0 40 HGAB Cc1cccc(CS(=O)(=O)N2CCC(C(=O)NC[C@H](C)c3ccccc3)CC2)c1 224349475 JJGVFMIHGBPSFJ-IBGZPJMESA-N 414.571 3.457 0 40 HGAB CC[C@@H](NC(=S)Nc1cccc(C(=O)OC)c1)c1ccc(S(C)(=O)=O)cc1 225724621 KJNGMWWBPRDUCT-QGZVFWFLSA-N 406.529 3.314 0 40 HGAB Cc1nc(CNC(=O)COc2nn(-c3ccccc3)cc2Br)cs1 227151633 ISKZKOXRQCHXBE-UHFFFAOYSA-N 407.293 3.095 0 40 HGAB CCOc1ccc(C=c2sc3nc(-c4cccc(C)c4)nn3c2=O)cc1OCC 254874346 WECCLQWYXSIOTH-UHFFFAOYSA-N 407.495 3.472 0 40 HGAB Cc1nc(Nc2ncc(C)s2)cc([C@H]2CCN(S(=O)(=O)c3ccccc3)C2)n1 257207332 BHHAPOSQLYRPHV-HNNXBMFYSA-N 415.544 3.472 0 40 HGAB COc1cc(CN(C)C[C@@H](O)Cn2c(C)c(C)c3ccccc32)ccc1OCCO 257281939 OROJXPXWYWZJHP-HXUWFJFHSA-N 412.530 3.131 0 40 HGAB COc1ccc(CN2C[C@H]3[C@@H](C2)N(Cc2csc(C)n2)C(=O)c2cccn23)cc1 306125858 DDYOKNMRWGNHDQ-LEWJYISDSA-N 408.527 3.343 0 40 HGAB Cc1cccc(CN2CCC[C@]3(CC2)CN(c2ncccn2)CC32CN(C(C)C)C2)n1 306132977 LXZKPPKYGPRXPW-DEOSSOPVSA-N 420.605 3.383 0 40 HGAB COC(=O)c1cc(NC(=O)CN(c2c(C)cccc2C)S(C)(=O)=O)ccc1Cl 409265246 ROBFFSLBEGVXKH-UHFFFAOYSA-N 424.906 3.148 0 40 HGAB CCn1c(SCC(=O)N2CCCC2)nnc1-c1cc(Br)ccc1O 409412029 QESZUGCGJOTDOI-UHFFFAOYSA-N 411.325 3.148 0 40 HGAB CN(Cc1cc(Cl)ccc1F)C(=O)C(=O)NCc1c(F)cccc1OC(F)F 572072180 ZNQONYWDZJLMLN-UHFFFAOYSA-N 418.774 3.494 0 40 HGAB CN(C)[C@@H](CNS(=O)(=O)c1ccc(-n2cccn2)cc1)c1cc2ccccc2o1 575620305 JJXLBQIZXMVOFB-IBGZPJMESA-N 410.499 3.200 0 40 HGAB COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)C(=O)NCCCC1CC1)CC2 673089720 IHUPOLJMOFURDA-QHCPKHFHSA-N 422.525 3.484 0 40 HGAB CC(=O)N1CCC(N2Cc3ccccc3OC3(CCC(N(C)C(C)=O)CC3)C2)CC1 1615119558 HRVBFHCXRISTPE-UHFFFAOYSA-N 413.562 3.052 0 40 HGAB O=C(CCc1ccc(C(F)(F)F)cc1)NCC1(N2CCOCC2)CCSCC1 1776008938 SJWDARQVXUGPBA-UHFFFAOYSA-N 416.509 3.352 0 40 HGAB FC(F)c1cc(N2CCN(Cc3nnc(C(F)(F)F)o3)CC2)nc(C2CC2)n1 1888869856 NVEFNAPKUQKLCL-UHFFFAOYSA-N 404.343 3.016 0 40 HGAB Cc1cnc(OC[C@]23CCC[C@H]2CN(C(=O)c2cc(-c4cccnc4)on2)C3)nc1 1888904136 AIWLGOOPWYUHDH-HTAPYJJXSA-N 405.458 3.156 0 40 HGAB CC(=O)N1CCC[C@@]2(C)[C@@H]1CCCCN2CC1(O)CCN(c2ccc(F)cc2)CC1 2037846754 XKANECIQVLIYRT-GOTSBHOMSA-N 417.569 3.413 0 40 HGAB CCOC(=O)C1=C(C)Nc2nnnn2[C@H]1c1ccc(OCc2ccccc2)c(OC)c1 703569 CRUHSUVLVMNBSL-FQEVSTJZSA-N 421.457 3.113 0 40 HGAB CC(C)(C)c1ccc(S(=O)(=O)N2CCN(C(=O)c3ccccc3F)CC2)cc1 1367835 KGAMQZWNMIQSCN-UHFFFAOYSA-N 404.507 3.270 0 40 HGAB CC(C)C[C@H](NC(=O)/C(=C/c1ccc(Cl)cc1)NC(=O)c1ccco1)C(=O)O 2950035 NLVPAYPOXXOVKH-QZFKAFNDSA-N 404.850 3.319 0 40 HGAB CN(C)S(=O)(=O)Oc1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 3052200 FYGCMXIVJKTIHF-UHFFFAOYSA-N 404.366 3.023 0 40 HGAB Cc1cccc(-c2nnc(SCC(=O)Nc3ccccc3OC(F)F)n2N)c1 3355813 WKTFILCOXNDJFO-UHFFFAOYSA-N 405.430 3.300 0 40 HGAB COC(=O)c1ccc2c(=O)[nH]c(CSc3nnc(C)n3-c3ccccc3C)nc2c1 3424630 NLZUGOGCPUIDFF-UHFFFAOYSA-N 421.482 3.200 0 40 HGAB COc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3cccc4ccccc34)C2=O)cc1 3457424 ZIKFXHYFCPBCKP-QHCPKHFHSA-N 403.438 3.254 0 40 HGAB O=C(Nc1ccc2c(c1)OCO2)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 3597827 ZPUHPDBABYSZGI-UHFFFAOYSA-N 422.890 3.496 0 40 HGAB CN(C[C@@H]1CCCO1)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2Cl)cc1 4325595 QFHLRFMDJFPSQB-HNNXBMFYSA-N 408.907 3.392 0 40 HGAB COc1ccc([C@@H](C)N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)OCc3ccccc3)[C@@H]4C2=O)cc1 4555093 IWQFKCBKKFOHQE-RSLGMCBOSA-N 419.477 3.282 0 40 HGAB CN(C)CCCN(C(=O)COc1ccccc1)c1nc2cc3c(cc2s1)OCO3 5122465 YHOCATAXAGEBQY-UHFFFAOYSA-N 413.499 3.389 0 40 HGAB Cc1cccc(NC(=O)CSc2nc(=O)n(CCCN(C)C)c3c2CCCC3)c1 5254583 AABIAPGEOBPRLJ-UHFFFAOYSA-N 414.575 3.113 0 40 HGAB CCCCOC(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1 5637512 PFFXTCJPSRSUGZ-UHFFFAOYSA-N 404.488 3.146 0 40 HGAB Cc1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC(C)C)cc1 5637921 PXUKRJXSNXYCRQ-UHFFFAOYSA-N 418.515 3.055 0 40 HGAB O=C(COC(=O)C1CCC(N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2=O)CC1)c1ccccc1 5870817 PQWUGLKIHZZQEC-FTRFVJLKSA-N 409.482 3.002 0 40 HGAB O=C(COC(=O)COc1cccc(C(F)(F)F)c1)Nc1ccc2c(c1)OCCO2 6027508 QGIBLBGGSCLFSV-UHFFFAOYSA-N 411.332 3.037 0 40 HGAB N[C@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)NCC(=O)O 6095916 CQWAYRTZXZSUEP-OAQYLSRUSA-N 420.534 3.240 0 40 HGAB CCCCn1c(=O)[nH]c(=O)c2c1nc(COC(=O)c1ccc(Cl)cc1)n2CCC 6509204 YMMLPNNLYQJQSC-UHFFFAOYSA-N 418.881 3.107 0 40 HGAB COc1ccc([C@@H](CNC(=O)C[C@@H](NC(C)=O)c2ccccc2)N2CCCC2)cc1 6865335 FPJJLJLUEXHXEQ-DHIUTWEWSA-N 409.530 3.216 0 40 HGAB CCCn1c(COC(=O)c2ccccc2F)nc2cc(S(=O)(=O)N(C)C)ccc21 6972705 MSJHCSRWSIXKSW-UHFFFAOYSA-N 419.478 3.193 0 40 HGAB O=C(CCCC(=O)N1CCc2ccccc2C1)N1CCN(c2ccc(F)cc2)CC1 7098116 LUDJFVDJAZFBMV-UHFFFAOYSA-N 409.505 3.230 0 40 HGAB Cc1ccc(C)c(NC(=O)[C@@H](OC(=O)C[C@@H]2CCS(=O)(=O)C2)c2ccccc2)c1 7630040 QDVDPTFHZYBTRD-UWJYYQICSA-N 415.511 3.351 0 40 HGAB C[C@@H]1CCCC[C@@]12NC(=O)N(Cc1cc3c(cc1Br)OCCO3)C2=O 8132874 BSZRBOZVBCXCIU-ADLMAVQZSA-N 409.280 3.221 0 40 HGAB COc1ccccc1Cc1nnc(NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)s1 8216728 ALNSZFLUAMIPKH-HNNXBMFYSA-N 408.483 3.129 0 40 HGAB COc1ccccc1NC(=O)CCCC(=O)OCC(=O)Nc1ccc(C(C)=O)cc1 8417326 MDBKBZMSBPCMPC-UHFFFAOYSA-N 412.442 3.189 0 40 HGAB COc1cc([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2ccccc2Cl)ccc1O 8766844 WDGZTGFZBHALSM-KRWDZBQOSA-N 403.891 3.486 0 40 HGAB COC(=O)c1ccc(OC)c(Cn2c3ccccc3c3nc4n(c(=O)c32)CCS4)c1 8974579 ORSRURBHLJVGMW-UHFFFAOYSA-N 421.478 3.300 0 40 HGAB COc1ccc(NC(=O)C2=C(C)Nc3nc(SC)nn3[C@H]2c2cccnc2)cc1 8997531 LZPXGGDFTWMFBY-KRWDZBQOSA-N 408.487 3.331 0 40 HGAB O=c1c2ncccc2n(Cc2ccc(C(F)(F)F)cc2)c(=O)n1Cc1cccnc1 9001451 LNUZHULQTCUGRB-UHFFFAOYSA-N 412.371 3.069 0 40 HGAB CNC(=O)c1c(NC(=O)c2nn(-c3ccc(C)cc3)ccc2=O)sc2c1CCCC2 9205865 WOIAWEDPCWWPAW-UHFFFAOYSA-N 422.510 3.093 0 40 HGAB CC[C@@H](Sc1nnc(Cc2ccc(OC)cc2)n1C)C(=O)Nc1nnc(C)s1 9303922 CUYLDUUTMZDRTG-CQSZACIVSA-N 418.548 3.084 0 40 HGAB O=C(Nc1ccccc1C(=O)N1CCN(C(=O)c2cccs2)CC1)c1ccco1 9465551 LMCFAQMGGPDUMJ-UHFFFAOYSA-N 409.467 3.192 0 40 HGAB O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)COc2ccccc2Cl)CC1 10216350 DAZAWIQOKHXAIF-UHFFFAOYSA-N 416.861 3.325 0 40 HGAB Nc1nc(COC(=O)[C@H]2COc3ccccc3O2)nc2sc3c(c12)CCCCC3 10395782 HLBOLABYEDAOLK-OAHLLOKOSA-N 411.483 3.426 0 40 HGAB O=C(CN(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1)Nc1cc(Cl)cc(Cl)c1 10833831 BBRNZACWFCIQCX-OAHLLOKOSA-N 417.314 3.214 0 40 HGAB COc1ccc(C(=O)NC2CCN(C(=O)c3ccco3)CC2)cc1Br 11555822 PDGAJOYWCYPCIS-UHFFFAOYSA-N 407.264 3.085 0 40 HGAB O=C(NCc1cnn(-c2ccccc2)c1)C1CCN(C(=O)/C=C/c2ccccc2)CC1 11564649 PRHKPAIYNXZUFB-VAWYXSNFSA-N 414.509 3.441 0 40 HGAB CCc1nc2ccccc2c(=O)n1CC1(O)CCN(C(=O)[C@H](C)c2ccccc2)CC1 12187214 SCJRRVSYFMZNNG-GOSISDBHSA-N 419.525 3.116 0 40 HGAB COC(=O)c1ccc(NC(=O)Cn2cc(OCc3ccccc3F)c(=O)cc2C)cc1 12230393 IPNFWPFAZWWCMH-UHFFFAOYSA-N 424.428 3.300 0 40 HGAB CCCC(=O)Nc1c(S(=O)(=O)c2ccc(OC)cc2)c(C)c(C)n1CCOC 12409240 DWZRBMGGDYVOGP-UHFFFAOYSA-N 408.520 3.331 0 40 HGAB CCOc1nn(CC)cc1-c1nnc(SCc2ccc(C(=O)OC)cc2)n1C 12422697 UFKGHWGDQDQUDY-UHFFFAOYSA-N 401.492 3.176 0 40 HGAB O=C(OCCCc1cccnc1)c1cccc(S(=O)(=O)N2CCCCCC2)c1 12544004 UMLKKURCRXCXNS-UHFFFAOYSA-N 402.516 3.436 0 40 HGAB O=C1CN(C(=O)Cn2cnc3scc(-c4ccccc4)c3c2=O)c2ccccc2N1 12695928 VBGIQXKILURZBL-UHFFFAOYSA-N 416.462 3.110 0 40 HGAB C[C@@H](CCc1ccccc1)NC(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1 12975115 CMLDFRQLBHQRPW-KRWDZBQOSA-N 418.534 3.364 0 40 HGAB COc1ccc([C@H]2CCCN2C(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)cc1 12984801 QYQXGRWXYAXWKQ-LJQANCHMSA-N 422.934 3.333 0 40 HGAB COc1ccc(CNC(=O)[C@@H]2CCCN(C(=O)Cc3c[nH]c4ccccc34)C2)cc1 13654780 GZGXJLLXLBDLGW-GOSISDBHSA-N 405.498 3.274 0 40 HGAB O=C(CS(=O)(=O)Cc1ccccc1)Nc1ccccc1C(=O)NC1CCCCC1 13856319 JNOAHIAMALLEJW-UHFFFAOYSA-N 414.527 3.303 0 40 HGAB CSc1cccc(NC(=O)Cn2c(=O)n(Cc3ccco3)c(=O)c3ccccc32)c1 13992231 MYILGKXMGSTODF-UHFFFAOYSA-N 421.478 3.165 0 40 HGAB COc1cc(=O)n(-c2ccccc2)nc1C(=O)Nc1ccc(Br)cc1F 15881264 JADFFJXMFUGQNJ-UHFFFAOYSA-N 418.222 3.395 0 40 HGAB CCc1ccc(N2C[C@@H](C(=O)Nc3ccc(S(=O)(=O)C(F)F)cc3)CC2=O)cc1 15998664 XGZZENUFGJRPCK-AWEZNQCLSA-N 422.453 3.237 0 40 HGAB CCN1C[C@H](CN(C)Cc2nc(-c3ccc(OC)c(OC)c3)no2)Oc2ccccc21 16423469 XADONMJIQNKGTJ-KRWDZBQOSA-N 424.501 3.473 0 40 HGAB Cc1cc(C(=O)N2CCC(c3nc(NC4CC4)ncc3-c3ccncc3)CC2)on1 19119714 FXDCQWYCDPCVTD-UHFFFAOYSA-N 404.474 3.429 0 40 HGAB Cc1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](C1CCN(C(=O)CN3CCCCC3)CC1)N2 19128724 KWQFDXNQAIKRBE-DLBZAZTESA-N 413.488 3.204 0 40 HGAB CC(C)[C@H](NC(=O)CSc1nnc(NC2CC2)s1)c1ccc2c(c1)OCCO2 19241355 AGRKEIMTBTWBOE-KRWDZBQOSA-N 420.560 3.489 0 40 HGAB OCCn1ncc(-c2ccnc(N3CCCC3)n2)c1[C@H]1CCCN1C[C@H]1CC=CCC1 19404210 BAJDLLXLZXJYKP-SIKLNZKXSA-N 422.577 3.426 0 40 HGAB COc1ccc(CNC(=O)c2cc([C@@H]3CCCN(Cc4ccccn4)C3)no2)cc1 19555851 IZWYMLBUTMGGDL-GOSISDBHSA-N 406.486 3.388 0 40 HGAB COc1cccc(C(=O)N2CC[C@](Cc3ccccc3-c3ccncc3)(C(N)=O)C2)c1 19564208 WRQBSTODXTZYES-RUZDIDTESA-N 415.493 3.318 0 40 HGAB CNC(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)CN(Cc2cccc(F)c2)CCO1 19591909 QMLWQBVCGVKAJR-VWLOTQADSA-N 419.500 3.447 0 40 HGAB CCN(CC(=O)N[C@H]1CCCc2ccccc21)S(=O)(=O)c1ccc(OC)c(C)c1 19929986 SJJICNVPTZDARM-FQEVSTJZSA-N 416.543 3.208 0 40 HGAB CCS(=O)(=O)c1oc(-c2ccc(F)cc2)nc1S(=O)(=O)c1ccc(F)cc1 20443480 BOQCZZIMADUBFK-UHFFFAOYSA-N 413.423 3.246 0 40 HGAB Cc1nn(-c2ccccc2)nc1C(=O)N[C@H](c1ccc(Cl)cc1)c1nccn1C 21600993 PDSOGIPFDOQHOV-LJQANCHMSA-N 406.877 3.482 0 40 HGAB C[C@H](NC(=S)NCCc1ccccc1)[C@H](c1cccs1)N1CCN(C)CC1 22803247 SOIWUPYQCIVMPD-FXAWDEMLSA-N 402.633 3.132 0 40 HGAB aggregator O=C([C@H]1CC(=O)N(c2ccccc2Cl)C1)N1CCN(Cc2cccs2)CC1 23735706 ANFZLVWAVUKPMD-HNNXBMFYSA-N 403.935 3.099 0 40 HGAB Cc1cc(C)n(-c2ccc(C(=O)NC[C@H](c3cccs3)N3CCOCC3)cc2)n1 23881462 DFVWQGPBILGMEY-HXUWFJFHSA-N 410.543 3.354 0 40 HGAB COC(=O)c1n[nH]c2ccc(NC(=O)[C@@H](NC(=O)OCc3ccccc3)C(C)C)cc12 25013171 SVWAFNZFEHMSJD-SFHVURJKSA-N 424.457 3.239 0 40 HGAB CN(C)S(=O)(=O)c1ccc(OCC(=O)Nc2cccc(Cl)c2Cl)cc1 28207254 JLKKAGDGFNAUGH-UHFFFAOYSA-N 403.287 3.261 0 40 HGAB COc1ccc(-c2nc(CSc3nnnn3C[C@H]3CCCO3)cs2)cc1OC 30346849 FYXGBQZWKBAOAN-CQSZACIVSA-N 419.532 3.285 0 40 HGAB CCNC(=O)COc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1 33748530 HYQCQOLGGUAOEC-UHFFFAOYSA-N 402.394 3.021 0 40 HGAB Cc1cccc(N2CCN([C@@H](C(=O)O)c3cn(C)c4cc(C(=O)O)ccc34)CC2)c1C 36353689 SQYJSHXOWHJEKY-JOCHJYFZSA-N 421.497 3.441 0 40 HGAB COC(=O)c1ccc(CS(=O)(=O)NCCSCc2cccc(Cl)c2)cc1 38755897 QIXKTWCUIUZTDH-UHFFFAOYSA-N 413.948 3.479 0 40 HGAB Cc1cc(CSc2ncccc2C(=O)N2CCN(C(=O)c3ccccc3)CC2)no1 39980534 WFMGXVHCXVNBHV-UHFFFAOYSA-N 422.510 3.269 0 40 HGAB Cc1ccc(NC(=O)CN2C(=O)[C@@H](C)Oc3ccccc32)c(-c2nc(C3CC3)n[nH]2)c1 40150975 FDSQDJMRBAKSOT-CQSZACIVSA-N 417.469 3.410 0 40 HGAB COc1cc(OC)cc(C(=O)N2CCC(C(=O)Nc3c(F)cccc3F)CC2)c1 42199797 NWMOTPDWTKCAPH-UHFFFAOYSA-N 404.413 3.473 0 40 HGAB Cc1c(C(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)oc2c1C(=O)CCC2 42315987 BUWBSACXPLHIKB-UHFFFAOYSA-N 407.392 3.483 0 40 HGAB COc1ccccc1N(CC(=O)N1CCCCCC1)S(=O)(=O)c1ccccc1 44802862 XOGMDOVYKIRNAJ-UHFFFAOYSA-N 402.516 3.293 0 40 HGAB CC[C@@H](C)[C@H](NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(F)c(Cl)c1)C(=O)OC 49546381 GCFGODKLZVWZJP-DPZKZMLUSA-N 422.888 3.447 0 40 HGAB C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)c1ccc(Oc2cccc(Br)c2)nc1 56017598 AYIFATCALIGPHS-OCCSQVGLSA-N 418.291 3.362 0 40 HGAB CN(c1ccccc1)C1CCN(C(=O)CCNC(=O)c2c[nH]c3ccccc23)CC1 57090220 RPJGGGLERISZGD-UHFFFAOYSA-N 404.514 3.415 0 40 HGAB O=C(O)COc1ccccc1[C@H]1Nc2ccccc2S(=O)(=O)N1Cc1ccccc1 57473547 YOWQDYJXQURDSD-QFIPXVFZSA-N 424.478 3.465 0 40 HGAB COc1ccc(/C=C/C(=O)N[C@H](Cc2ccccc2)C(=O)O)cc1Br 62714516 PLAVERYKQWRBQL-XAVKZTDYSA-N 404.260 3.283 0 40 HGAB CCS(=O)(=O)N1CCC(C(=O)NCc2ccccc2Oc2ccccc2)CC1 62886940 AZFCUDMDJFXPEW-UHFFFAOYSA-N 402.516 3.157 0 40 HGAB CCc1nnc2c(=O)n(CC(=O)Nc3ccccc3C(F)(F)F)c3ccccc3n12 64871554 VMBPONJANCTMAL-UHFFFAOYSA-N 415.375 3.264 0 40 HGAB Cc1ccccc1-n1ccnc1SCC(=O)N1CCNC(=O)C[C@@H]1c1ccccc1 65553047 NIFWHBKPHPTODA-HXUWFJFHSA-N 420.538 3.363 0 40 HGAB COc1ccc(CNC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2CC(C)C)cc1 67237785 XCURMZMBWWFSDI-UHFFFAOYSA-N 414.531 3.106 0 40 HGAB CCOc1ccccc1N1CCN(C(=O)c2cn(-c3ccc(C)c(C)c3)nn2)CC1 67263057 UZZSJVWJNIYNFD-UHFFFAOYSA-N 405.502 3.245 0 40 HGAB O=C(NC1CC1)c1ccc(CN(C(=O)c2cc(-c3ccccn3)no2)C2CC2)cc1 72301017 AMYMVAXDYKBCBI-UHFFFAOYSA-N 402.454 3.434 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](c3ccnc(Nc4cnccn4)n3)C2)cc1C 72379948 DIOCAAKEWOKBOC-QGZVFWFLSA-N 424.530 3.195 0 40 HGAB C[C@H](Oc1ccccc1F)C(=O)Nc1cc(N2CCN(c3ccccc3)CC2)ncn1 77100893 BTDNGKVSLQSUCE-KRWDZBQOSA-N 421.476 3.348 0 40 HGAB C[C@@H](NC(=O)CNC(=O)c1c(F)cccc1Cl)c1noc(Cc2ccccc2)n1 79026410 LQLNPIRTXLUSFT-GFCCVEGCSA-N 416.840 3.060 0 40 HGAB O=C(NC[C@@H](c1ccccc1Cl)N1CCOCC1)C1(Br)CCC1 79054610 SQICTGWXCLTVSE-HNNXBMFYSA-N 401.732 3.147 0 40 HGAB CCN(C(=O)COC(=O)c1cc(OC)c(N)cc1F)c1nc2ccccc2s1 89977104 MKYQNKCUOOJEHA-UHFFFAOYSA-N 403.435 3.236 0 40 HGAB O=C1[C@@H]2C[C@@H](CN2C(=O)c2ccc(F)cc2)Oc2ccccc2N1Cc1ccccn1 96111677 NWUQVBDNTRDDNZ-FPOVZHCZSA-N 417.440 3.430 0 40 HGAB biogenic,in-vitro O=C(NCCn1nc(-c2ccncc2)c2c1CCCC2)c1ccc2nsnc2c1 96121455 WTRIROIMNPQXCR-UHFFFAOYSA-N 404.499 3.259 0 40 HGAB COc1cc(/C=C/C(=O)OCC(=O)Nc2ccc(F)c(Cl)c2)cc(OC)c1O 97010789 IFTYZRQQGALCGN-ZZXKWVIFSA-N 409.797 3.397 0 40 HGAB CCCOC(=O)[C@H]1[C@@H]2C=C[C@]3(CN([C@@H](C)c4ccc(Br)cc4)C(=O)[C@H]13)O2 101941932 FMFOZGYRCXMSOM-VAXKSQPESA-N 420.303 3.245 0 40 HGAB O=C(CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)N(CCc1ccccc1)Cc1cccs1 103413948 LAGKYQWUDSHRNK-PMACEKPBSA-N 408.523 3.271 0 40 HGAB Cc1ccccc1C(=O)N[C@H](C(=O)OCC(=O)N[C@@H](C)[C@H]1C[C@H]2CC[C@H]1C2)C(C)C 105285665 ZQXAZUYHXVDOJH-BTZPKTIDSA-N 414.546 3.234 0 40 HGAB CC(C)Oc1cccc(CNC(=O)[C@@H](C)N(c2cccc(F)c2)S(C)(=O)=O)c1 113967772 QHGXPPYTLXHMFE-OAHLLOKOSA-N 408.495 3.084 0 40 HGAB Cc1ccccc1OC[C@@H](C)NC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1 219256676 UYAJGVDMCXLSIL-MRXNPFEDSA-N 422.572 3.041 0 40 HGAB CC[C@H](C(=O)NCCSc1ccccc1)N(c1cccc(OC)c1)S(C)(=O)=O 220614855 YXEAOKKVCWZHLN-LJQANCHMSA-N 422.572 3.148 0 40 HGAB CCOC(=O)c1ccccc1NC(=O)c1cc(N(C)S(C)(=O)=O)ccc1Cl 222489853 MEQSIVZJZNWQLD-UHFFFAOYSA-N 410.879 3.165 0 40 HGAB COc1cc2c(cc1S(=O)(=O)N[C@@H](C)c1ccc3c(c1)OCCO3)CCCC2 222741428 NETVASJJFKENIU-AWEZNQCLSA-N 403.500 3.385 0 40 HGAB COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)N[C@@H](C)c1ccc(C)cc1C 223080679 KFHWMCUJFWYZBG-KRWDZBQOSA-N 418.559 3.372 0 40 HGAB C[C@H](NC(=O)CN(Cc1ccccc1Cl)S(C)(=O)=O)c1ccc2c(c1)CCC2 223253606 HRPDQTCSPPJSFG-HNNXBMFYSA-N 420.962 3.468 0 40 HGAB CCOC(=O)c1sc(NS(=O)(=O)c2cc(Cl)ccc2OCC)nc1C 223258542 GDXYSDGAOFOHLP-UHFFFAOYSA-N 404.897 3.481 0 40 HGAB Cc1cccc(C)c1N(CC(=O)NCCOc1ccccc1C(C)C)S(C)(=O)=O 223758330 KGTJSYGQKDUVRF-UHFFFAOYSA-N 418.559 3.388 0 40 HGAB CC[C@H](NC(=O)COc1ccc(N(C)S(C)(=O)=O)cc1)c1ccc(C)c(C)c1 224376478 KIIXPZFCHNZAJB-FQEVSTJZSA-N 404.532 3.346 0 40 HGAB CS(=O)(=O)Nc1ccc(Cl)c(C(=O)NCc2ccccc2CN2CCCC2)c1 224786520 RBYBEMFSVGPMAQ-UHFFFAOYSA-N 421.950 3.237 0 40 HGAB O=C(COc1cccc2c1CCCC2)Nc1ccccc1C(=O)NC[C@H]1CCCO1 224866872 VSSDMVCTDLOVPE-GOSISDBHSA-N 408.498 3.492 0 40 HGAB Cc1cccc(S(=O)(=O)NCCC(=O)NCc2cccnc2-c2cccs2)c1 225760170 ZSBLEYVYAGRLQL-UHFFFAOYSA-N 415.540 3.103 0 40 HGAB Cc1cc(N)c(NC(=O)c2ccccc2Br)cc1N1CCN(C)CC1 226331019 WTALBORXIRLQOE-UHFFFAOYSA-N 403.324 3.344 0 40 HGAB COc1ccc(CCNC(=O)[C@H]2C[C@H]3CC[C@H]2C[C@@]32NC(=O)c3ccccc3N2)cc1 257241074 HWLZYCOQWOXBBH-FHHVHTCRSA-N 419.525 3.342 0 40 HGAB CCN(C(=O)CN1CC[C@](C)(O)[C@@H](Oc2cccc(F)c2)C1)c1cccc(C)c1 257269805 MRKUZCBIEAIERW-GMAHTHKFSA-N 400.494 3.391 0 40 HGAB C[C@]1(O)CCN(C(=O)c2ccc(OCCN3CCCC3)cc2)C[C@@H]1Oc1ccccc1 257295210 QXLDTIDWLZHQCJ-ZCYQVOJMSA-N 424.541 3.206 0 40 HGAB O=C(CCc1ccccc1F)N1CCO[C@H](c2cccc(Nc3cnccn3)n2)C1 257313046 UQUASUCMFXJJHM-IBGZPJMESA-N 407.449 3.287 0 40 HGAB CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)cc1 408593637 MWKVPFTVCIMHHY-SNVBAGLBSA-N 403.287 3.308 0 40 HGAB CCOc1ccccc1N1C[C@@H](C(=O)O[C@@H](C)C(=O)c2ccc(OC)cc2)CC1=O 408656455 SKROXGRWQFKSKZ-RDJZCZTQSA-N 411.454 3.261 0 40 HGAB CCc1ccc(CNC(=O)C(=O)Nc2ccccc2C(=O)NCc2ccccc2)cc1 408709628 VPFDUXOMPRMHJQ-UHFFFAOYSA-N 415.493 3.434 0 40 HGAB CCn1c(CNC(=O)c2ccccc2)nnc1SCC(=O)Nc1ccccc1F 409154989 LCHMPERJGAPTFM-UHFFFAOYSA-N 413.478 3.098 0 40 HGAB CO[C@H](C(=O)N1CCC(OC)(c2nc(CC(F)(F)F)no2)CC1)c1ccccc1 516881879 JBIHMMFPKVYZLT-HNNXBMFYSA-N 413.396 3.026 0 40 HGAB CC(C)c1nc(C(=O)N2CCO[C@]3(CCCOC3)C2)nn1-c1ccccc1Cl 557328156 HUSGTMBHYNHSMW-HXUWFJFHSA-N 404.898 3.066 0 40 HGAB O=c1ccc(-c2ccncc2)nn1CC1CCN(c2ncnc3sccc23)CC1 585500338 GHPYXIKAOVFKJC-UHFFFAOYSA-N 404.499 3.227 0 40 HGAB Cc1ccccc1-n1nc(C(=O)N[C@H](C)c2nnnn2-c2ccccc2)c2c1CCC2 604301522 BJMJEOMGBZLZNX-MRXNPFEDSA-N 413.485 3.136 0 40 HGAB CC(C)(C)c1ccc(N2C[C@H]3CN(C(=O)Cc4noc5ccccc45)C[C@@H]3C2)nn1 1889224924 JQRJMESNHUSTCN-HOTGVXAUSA-N 405.502 3.053 0 40 HGAB COc1cccc(S(=O)(=O)N2CC[C@@H](COc3cccc(C(F)(F)F)n3)C2)c1 1889224936 BOSAXHFLLBPEOY-CYBMUJFWSA-N 416.421 3.199 0 40 HGAB O=C(O)[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1cc(Cl)ccc1Cl 811630 AWLLJTQGQKIITL-OAHLLOKOSA-N 413.282 3.449 0 40 HGAB COc1ccc(N(C[C@@H](O)CN2CCCCC2)S(=O)(=O)c2ccc(C)cc2)cc1 864172 QFEWTZBNFSWNKE-FQEVSTJZSA-N 418.559 3.046 0 40 HGAB CC1=C(C(=O)Nc2cccnc2)[C@H](c2ccc(Br)cc2)n2ncnc2N1 949732 JINMAMRBULGUKD-INIZCTEOSA-N 411.263 3.363 0 40 HGAB COc1ccc2cc([C@H](c3nnnn3C3CCCCC3)N3CCCC3)c(=O)[nH]c2c1 1224840 PKVWVIZFJCEAPJ-HXUWFJFHSA-N 408.506 3.214 0 40 HGAB CCS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1nc2ccccc2s1 2665174 NFJAXZDABROSEY-INIZCTEOSA-N 401.513 3.011 0 40 HGAB aggregator COCCCNC(=O)CSc1nc2ccccc2c2nc(-c3ccccc3)nn12 2969020 YWOZHYMATUUUBY-UHFFFAOYSA-N 407.499 3.189 0 40 HGAB CCCn1c(=O)c2ccccc2n2c(SCC(=O)Nc3ccc(F)cc3)nnc12 3375735 SIKPQOLGXIXCJZ-UHFFFAOYSA-N 411.462 3.324 0 40 HGAB CCCOc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OCCOC(C)C)cc1OC 4113734 SSGDWFSNUXAYIC-LJQANCHMSA-N 406.479 3.080 0 40 HGAB COc1ccc2nc(SCC(=O)N(C)CC(=O)Nc3ccccc3Cl)[nH]c2c1 4406507 IQDPWBHAJJCSPC-UHFFFAOYSA-N 418.906 3.414 0 40 HGAB CS(=O)(=O)c1cccc(C(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)c1 4517879 NHAFCBDTQUTTBV-UHFFFAOYSA-N 402.453 3.195 0 40 HGAB CC(C)NS(=O)(=O)c1ccc(OCC(=O)Nc2ccccc2C(F)(F)F)cc1 6376483 IKQRPEBDIJQAJD-UHFFFAOYSA-N 416.421 3.410 0 40 HGAB C[C@H](OC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NCCC1=CCCCC1 6508989 VUKKWXNQOAKOSF-QNHAZURESA-N 416.562 3.257 0 40 HGAB Cc1ccc(C(=O)N2CCN(c3ccc(NC(=S)NC(=O)C(C)C)cc3)CC2)cc1 6613606 NAUVSOARUFQZKU-UHFFFAOYSA-N 424.570 3.426 0 40 HGAB CCn1c(=S)sc2c(=O)n(Cc3cc(C(=O)OC)ccc3OC)c(C)nc21 6669485 FFUNUOMLGLRFTO-UHFFFAOYSA-N 405.501 3.161 0 40 HGAB CN(C(=O)COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)[C@H]1CCS(=O)(=O)C1 6788286 LMMZDBUPQIMBOC-JNCPLXCYSA-N 417.571 3.179 0 40 HGAB COc1ccc(-n2c(SCC(=O)NC(C)C)nnc2[C@@H](C)N2CCCCC2)cc1 7023188 OHHUCCCRLQFYJM-MRXNPFEDSA-N 417.579 3.440 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC(=O)c2n[nH]c3ccccc23)cc1 7139334 XDWXKOUUBIBRHD-CQSZACIVSA-N 400.504 3.084 0 40 HGAB O=C([C@H](Sc1nnnn1-c1cccc(Cl)c1)c1ccccc1)N1CCOCC1 7745567 VJUBPGTVHDSZNW-QGZVFWFLSA-N 415.906 3.008 0 40 HGAB CC(=O)c1cccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3cc(C)ccc3C)C2)c1 8036493 ULQUCEKWQFEDON-GOSISDBHSA-N 408.454 3.041 0 40 HGAB COc1ccc(CCSC2=N[C@@H]3CS(=O)(=O)C[C@@H]3N2c2ccccc2)cc1 8993327 UENKWNXPZXIUGT-MOPGFXCFSA-N 402.541 3.013 0 40 HGAB COc1ccc(CNc2nc(-c3cccnc3)nn2S(=O)(=O)c2ccccc2)cc1 9195214 CNGFIKGNYPGGHE-UHFFFAOYSA-N 421.482 3.198 0 40 HGAB COc1cccc(C(=O)N[C@]2(C(F)(F)F)N=C(O)N(CC3CCCCC3)C2=O)c1 9316976 TXGKTBMXJRMGQK-SFHVURJKSA-N 413.396 3.020 0 40 HGAB O=C(COC(=O)c1ccc(-n2cccc2)cc1)Nc1ccccc1N1CCCC1=O 10353401 DTPQMYAZGUIOMU-UHFFFAOYSA-N 403.438 3.400 0 40 HGAB CN(C)S(=O)(=O)c1cccc(C(=O)Nc2cc3c(cc2Cl)OCCCO3)c1 11003061 KEQGODIYXWOLNK-UHFFFAOYSA-N 410.879 3.004 0 40 HGAB O=C(NCc1ccc(N2CCOCC2)nc1)C1c2ccccc2Oc2ccccc21 11115244 ZXUINPXWTJBJBA-UHFFFAOYSA-N 401.466 3.472 0 40 HGAB Cc1ccc(CNC(=O)C[C@@H]2CCCCN2S(=O)(=O)c2ccc(F)cc2)cc1 11612803 QDSDFXHPGZJANQ-IBGZPJMESA-N 404.507 3.384 0 40 HGAB O=C(CCCOc1ccc(F)cc1F)N1CCC(c2n[nH]c3nccnc23)CC1 12228490 CUILJXPYTWSNSK-UHFFFAOYSA-N 401.417 3.196 0 40 HGAB CC[C@H]1Oc2ccc(C(=O)c3ccco3)cc2N(CC(=O)NC2CCCCC2)C1=O 12241971 KDQCEZYUNSOVNO-GOSISDBHSA-N 410.470 3.464 0 40 HGAB NC1=Nc2nc3cc4c(cc3n2[C@H](c2ccc(Br)cc2)N1)OCCCO4 12507747 QGTSUKXQWBJNMY-MRXNPFEDSA-N 414.263 3.056 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)CC2CCCC2)c1 12596352 FQEAWRHXPIJNJJ-UHFFFAOYSA-N 423.579 3.073 0 40 HGAB C[C@H]1CCC[C@@H](C)N1C(=O)COC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1 12633447 WCGVHGAIOIRAML-IYBDPMFKSA-N 420.465 3.434 0 40 HGAB Cc1ccc(-c2nnc(S)n2CC(=O)N(C)CC(=O)Nc2cccc(C)c2C)cc1 12752016 FCXSUZXDZBSSEA-UHFFFAOYSA-N 423.542 3.256 0 40 HGAB C[C@@H](OCCCNC(=O)c1ccc(N2CCCS2(=O)=O)cc1)c1ccccc1 12923081 IRQDVBSGXULNRJ-QGZVFWFLSA-N 402.516 3.124 0 40 HGAB CC[C@H](C)n1c(SCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)nc2ccccc2c1=O 13016246 KBIJRIOXRRECAP-LBPRGKRZSA-N 423.498 3.268 0 40 HGAB COc1cc(C(=O)Oc2cc(C)nn2-c2nc3ccccc3[nH]2)cc(OC)c1OC 13639561 MYSMLRGOIWKEPJ-UHFFFAOYSA-N 408.414 3.302 0 40 HGAB CCOc1ccc(-c2ccc(N3CCN(C(=O)Cc4cccs4)CC3)nn2)cc1 13657862 VKMGZCAMEGTAFN-UHFFFAOYSA-N 408.527 3.495 0 40 HGAB CS(=O)(=O)N(CCCC(=O)NCc1ccco1)c1cc(Cl)ccc1Cl 13997633 PHKJBSNJUQAZJZ-UHFFFAOYSA-N 405.303 3.449 0 40 HGAB CC(=O)CCc1ccc(OC[C@H](O)CSc2nnnn2C2CCCCC2)cc1 14246256 RGOCJMPQOAJVPF-SFHVURJKSA-N 404.536 3.232 0 40 HGAB Cc1cccc(OCCNC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)c1 15396902 SJXXUDXLRWFYKR-UHFFFAOYSA-N 424.522 3.386 0 40 HGAB O=C(OCc1cc(=O)n2nc(C3CC3)sc2n1)c1ccc(Br)cc1 15734115 BNFYSRPRTHSOSC-UHFFFAOYSA-N 406.261 3.148 0 40 HGAB CN(C)S(=O)(=O)c1ccc(C(=O)OCc2cc(-c3ccccc3F)on2)cc1 16838648 KRAANQQAOSCJMM-UHFFFAOYSA-N 404.419 3.088 0 40 HGAB O=C(O)[C@H]1CC=CC[C@@H]1C(=O)Nc1ccn(Cc2ccc(Br)cc2)n1 17082803 GVEFGKUEHIHUSF-GJZGRUSLSA-N 404.264 3.299 0 40 HGAB O=C(c1cccnc1)N1CCC[C@@H](c2cc3nc(C(F)(F)F)ccc3c(=O)[nH]2)C1 19337462 YKGWWWUBVZGEDE-CYBMUJFWSA-N 402.376 3.357 0 40 HGAB CNC(=O)Cc1nc2ccccc2n1CC(=O)Nc1ccc2[nH]c(C(C)(C)C)nc2c1 19660853 ZKGRUTDNEUEQAF-UHFFFAOYSA-N 418.501 3.137 0 40 HGAB O=C(CCn1c(=O)oc2ccccc21)N1CCC[C@@H]1c1ccc(-c2cncnc2)cn1 19689880 UPHVFGDKRWQJQJ-LJQANCHMSA-N 415.453 3.200 0 40 HGAB Cc1nc([C@H]2CCCN2C(=O)c2cnn(C)c2C)ncc1C(=O)Nc1ccccc1 19755530 MGONJYDOBARLSN-LJQANCHMSA-N 404.474 3.057 0 40 HGAB COc1ccc(OC)c(CN(CCCN2CCOCC2)C(=O)Nc2ccccc2)c1 20663596 XWBUHWSHLTWLJX-UHFFFAOYSA-N 413.518 3.460 0 40 HGAB COCCN1C(=O)c2ccccc2[C@H](C(=O)NCc2cccnc2)C12CCCCC2 20746114 NXBYREORGCMEPP-OAQYLSRUSA-N 407.514 3.287 0 40 HGAB O=S(=O)(NCc1ccccc1CN1CCOCC1)c1c(Cl)cccc1Cl 24210263 MIPDNUYKKDEWCK-UHFFFAOYSA-N 415.342 3.304 0 40 HGAB O=C(Cc1cc(Cl)c2c(c1)OCCO2)NC1CCN(Cc2ccccc2)CC1 27064398 ZHHMPBLJYLSYER-UHFFFAOYSA-N 400.906 3.435 0 40 HGAB CC(C)c1ccc(CN(C(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)C2CC2)cc1 27139741 HXYADNAXGHJXFK-UHFFFAOYSA-N 405.498 3.395 0 40 HGAB O=S(=O)(CCSc1nnc2n1CCCCC2)c1ccc(Br)cc1 28218575 RAVFNIGXOOKRBI-UHFFFAOYSA-N 416.366 3.333 0 40 HGAB CS(=O)(=O)Nc1cccc(NS(=O)(=O)c2cc(Cl)sc2Cl)c1 28250422 WMSZANDRBKORDA-UHFFFAOYSA-N 401.318 3.227 0 40 HGAB COc1ccc(OC)c(N2C[C@H](C(=O)NCCSCc3ccsc3)CC2=O)c1 32421700 BAKPRYACUGKOBQ-OAHLLOKOSA-N 420.556 3.168 0 40 HGAB CC(=O)c1cccc(N2C(SCc3ccccc3)=N[C@@H]3CS(=O)(=O)C[C@@H]32)c1 32640596 BGNOEQREIJOUTM-MOPGFXCFSA-N 400.525 3.164 0 40 HGAB CC(C)(C)NC(=O)CNC(=O)c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1 32901003 FIEZDFXIJSFVSM-UHFFFAOYSA-N 400.866 3.430 0 40 HGAB COc1ccccc1NC(=O)NCc1cc(=O)n2nc(-c3ccc(C)cc3)sc2n1 32996027 DMFTTWVSGLIGSB-UHFFFAOYSA-N 421.482 3.457 0 40 HGAB C[C@@H](NC(=O)[C@@H]1CCN(S(C)(=O)=O)c2cc(Cl)ccc2O1)c1ccccc1 38832892 AVNLIDXDPUSIBI-ACJLOTCBSA-N 408.907 3.135 0 40 HGAB CC(C)C(NC(=O)[C@H]1CN(S(C)(=O)=O)c2cc(C(C)(C)C)ccc2O1)C(C)C 38849209 UJKJLFMREAEFLC-GOSISDBHSA-N 410.580 3.308 0 40 HGAB Cc1ccc(CN2CCCN(C(=O)C3CCN(C(=O)c4ccoc4)CC3)CC2)cc1 40087012 YOLXIVREJCCNSO-UHFFFAOYSA-N 409.530 3.175 0 40 HGAB CN(Cc1ccccc1)C(=O)N1CCN(C(=O)CCc2ccc(F)c(F)c2)CC1 40135675 XRDAYRWNQXSYPA-UHFFFAOYSA-N 401.457 3.294 0 40 HGAB O=C(N[C@@H](c1ccccc1)c1nnn[nH]1)c1cccc(NC(=O)C2CCCCC2)c1 40158564 SQPCSQKQZONNFQ-IBGZPJMESA-N 404.474 3.238 0 40 HGAB Cc1nn2c(nnc3c(=O)n([C@H](C(=O)O)C(C)C)ccc32)c1-c1ccc(Cl)cc1 40396003 AKFKEYVWGIDZAM-KRWDZBQOSA-N 411.849 3.350 0 40 HGAB Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(-c4nc(C)no4)cc3)C2)nc1 46821541 HOHYJQGJXFTIRK-GOSISDBHSA-N 405.458 3.239 0 40 HGAB O=C(NC1CCN(C(=O)/C=C/c2ccccc2OC(F)(F)F)CC1)c1cccnc1 48290660 LTMOWWPJENCQPR-BQYQJAHWSA-N 419.403 3.414 0 40 HGAB O=C(CCc1ccccc1)NC1CCN(Cn2c(=O)oc3cc(Cl)ccc32)CC1 48365601 QCKPNFHMTRTBFT-UHFFFAOYSA-N 413.905 3.419 0 40 HGAB Fc1ccccc1Nc1nc2nonc2nc1N1CCN(Cc2ccccc2)CC1 55364295 FVHYRFJQYXPFAZ-UHFFFAOYSA-N 405.437 3.218 0 40 HGAB COC(=O)C1=C(CN2CCc3ccccc3C2)NC(=O)N[C@@H]1c1ccccc1Cl 57414912 GWQNDMWNYAKVRY-HXUWFJFHSA-N 411.889 3.179 0 40 HGAB O=C(NC[C@H](c1cccs1)N1CCCC1)Nc1cccc(Cn2cccnc2=O)c1 57997478 LUOXQBIVETZRHH-LJQANCHMSA-N 423.542 3.312 0 40 HGAB CCCc1nc(C[S@@](=O)Cc2cc3c(cc2Br)OCCO3)no1 64824342 IKLJLZSCICQPJA-HSZRJFAPSA-N 401.282 3.005 0 40 HGAB O=C(CN1C=Nc2ccccc2S1(=O)=O)c1ccc(NC(=O)c2ccccc2)cc1 65624658 VXTZGRBGYSIFDW-UHFFFAOYSA-N 419.462 3.486 0 40 HGAB CC(C)(C)NC(=O)Cn1c(=O)n(CCc2ccccc2)c(=O)c2oc3ccccc3c21 67292050 SNVKFOAQCKLQIX-UHFFFAOYSA-N 419.481 3.067 0 40 HGAB C[C@@H]1CC=CC[C@H]1COC(=O)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1 71826314 UUNWPPXBDOEBAS-ZBFHGGJFSA-N 412.939 3.281 0 40 HGAB Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)[C@@H](C)c2c(C)nn(C)c2C)cc1C 72096568 RNSWQQRGJQMWAX-KBXCAEBGSA-N 400.548 3.297 0 40 HGAB NNc1nc2c(N3CCN(C(=O)c4ccccc4F)CC3)c(Cl)ccc2s1 72230219 JWSOVDROCRNIQI-UHFFFAOYSA-N 405.886 3.337 0 40 HGAB COc1ccc2c(c1)N[C@]1(COC3(CCN(Cc4cncn4C)CC3)C1)c1cccn1-2 72327230 XFRYSRAXJMEJGQ-XMMPIXPASA-N 419.529 3.295 0 40 HGAB COc1ccccc1-c1cccc([C@H]2CCCN(S(=O)(=O)c3cn(C)cn3)C2)n1 72350316 WAEXOMJLSNPOAU-INIZCTEOSA-N 412.515 3.059 0 40 HGAB Cc1oc(-c2cccs2)nc1C(=O)N1C[C@@H]2OCCN(Cc3ccccc3)[C@@H]2C1 84052881 IXKFTJXLSYBEFJ-MSOLQXFVSA-N 409.511 3.437 0 40 HGAB CCOC(=O)c1[nH]c(C)c(S(=O)(=O)N2CCC[C@@H]2c2ccc(OC)cc2)c1C 84794473 ZOMPVTWOHPXOSZ-QGZVFWFLSA-N 406.504 3.343 0 40 HGAB Cc1cc2nccc([C@H]3CC[C@H](CNC(=O)c4cc5c([nH]c4=O)CCCC5)CC3)n2n1 100159442 OQXJNONTGNWWFL-CALCHBBNSA-N 419.529 3.309 0 40 HGAB Cc1ccc(-c2noc(CN3N=N[C@@H]4C(=O)N(c5cccc(Cl)c5)C(=O)[C@@H]43)n2)cc1 101311508 TUAGTORCVWJZEF-DLBZAZTESA-N 422.832 3.192 0 40 HGAB Cc1cccc(N2C(=O)C[C@H](c3c(C)nn(-c4nc5ccccc5[nH]4)c3O)C2=O)c1 101983982 UPCPRYAXIKBZCN-OAHLLOKOSA-N 401.426 3.118 0 40 HGAB O=C(CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)Nc1ccccc1N1CCc2ccccc21 103102991 NAORTVDTTLTIDW-HDICACEKSA-N 401.466 3.271 0 40 HGAB Cc1ccccc1C(=O)N[C@H](C(=O)OCC(=O)N[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2)C(C)C 105285654 ZQXAZUYHXVDOJH-YOPKZKFMSA-N 414.546 3.234 0 40 HGAB CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)OC)c2)cc1Cl 223822623 XXBTUBVLNPJXEF-UHFFFAOYSA-N 411.863 3.413 0 40 HGAB Cc1cc(C)cc(OCCNC(=O)c2ccc(N(C)S(C)(=O)=O)cc2Cl)c1 224106043 GCQFDVHZZCCDSV-UHFFFAOYSA-N 410.923 3.161 0 40 HGAB COc1ccc(OC[C@@H](C)NS(=O)(=O)c2ccc(SC)c(NC(C)=O)c2)cc1 224177518 YMYGRYLJUVHNCW-CYBMUJFWSA-N 424.544 3.121 0 40 HGAB CC1CCN(CCCNS(=O)(=O)c2ccc3c(c2)sc(=O)n3C(C)C)CC1 225712038 NUTLQPXDXBKNFD-UHFFFAOYSA-N 411.593 3.044 0 40 HGAB COc1ccc(CCNC(=O)Cn2ccc(=O)c3ccc(Cl)cc32)cc1OC 225732934 KQHVWWSPSDJMAP-UHFFFAOYSA-N 400.862 3.031 0 40 HGAB CCOC(=O)[C@]1(N)[C@H](c2ccc(Cl)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 242677008 SUKOTUMNTYNMIY-NUJGCVRESA-N 414.310 3.194 0 40 HGAB CC(C)c1nccn1CC(=O)N1CCO[C@H](c2ccc(Nc3ccc(F)cn3)cn2)C1 257289813 QAHNZDUXQAMYJO-IBGZPJMESA-N 424.480 3.279 0 40 HGAB CC(=O)O[C@@H]1C[C@@]2(C)[C@H](OC(C)=O)CC[C@@H]2[C@@H]2CC(=O)[C@@]3(O)CCCC[C@]3(C)[C@@H]21 257348310 DFIRLJQMOGCRHN-HQVSIWJFSA-N 406.519 3.186 0 40 HGAB COc1ccc(NS(=O)(=O)c2ccc(NC(=O)NCC(C)C)cc2)c(OC)c1 408586660 AWAXXRMNENEEQV-UHFFFAOYSA-N 407.492 3.282 0 40 HGAB CC(C)c1ccccc1NC(=O)[C@H](C)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 408704852 ULHHGMDQOXBYGT-HNNXBMFYSA-N 418.515 3.374 0 40 HGAB Cc1ccc(CNC(=O)c2ccccc2NC(=O)C(=O)NCc2ccccc2)cc1 408710160 QMUQWZCCWAPRLY-UHFFFAOYSA-N 401.466 3.180 0 40 HGAB CCOCCCNC(=O)[C@@H](C)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 409111115 AWJVIGZLQDAOBG-QGZVFWFLSA-N 420.531 3.176 0 40 HGAB O=C(NCc1ccncc1)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1 409409644 JCSUTJYNRNIBNM-UHFFFAOYSA-N 401.875 3.466 0 40 HGAB O=C(NCCc1csc(O)n1)C1CCN(C(=O)c2cccc3ccccc23)CC1 508115261 BDXVNFQTUDEBEE-UHFFFAOYSA-N 409.511 3.213 0 40 HGAB CN1C(=O)c2ccc(-c3ccc(F)cc3F)cc2O[C@H]2CN(Cc3cncnc3)C[C@H]21 514290300 XNAQOAVJWXNOLB-IRLDBZIGSA-N 422.435 3.139 0 40 HGAB biogenic,in-vitro O=C(NCC1CCN(c2ccncc2)CC1)N1CCO[C@@H](c2ccc(F)cc2F)C1 559319225 VLYNSJUIMLYJKG-OAQYLSRUSA-N 416.472 3.359 0 40 HGAB COC(=O)Cc1cccc(S(=O)(=O)N2CCC[C@H]2Cc2ccccc2Cl)c1 568684091 SLSJBQSAVAFPFG-KRWDZBQOSA-N 407.919 3.451 0 40 HGAB CCCN1CCN(C(=O)CCC(=O)O)C[C@H](Cc2ccccc2-c2ccccc2)C1=O 585183593 IEFSKORMYMUKLQ-NRFANRHFSA-N 422.525 3.458 0 40 HGAB COC(=O)C[C@@H](c1cccc(Cl)c1)c1c(O)cc(C)n(CCc2cnc[nH]2)c1=O 604419404 LUNCVIQUTVUTPH-KRWDZBQOSA-N 415.877 3.177 0 40 HGAB Cc1ncc(C(=O)N2CCC[C@@](O)(COc3cc(C)c(Cl)c(C)c3)CC2)cn1 2037912290 JBEUKNSCVLSARS-NRFANRHFSA-N 403.910 3.491 0 40 HGAB O=C(O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 953479 FHMLDKPFAYXUSA-CQSZACIVSA-N 407.797 3.333 0 40 HGAB in-vitro O=C(COc1ccccc1)NC(=S)Nc1ccc(N2CCOCC2)c(Cl)c1 977616 MOYWXAFNRJLMKA-UHFFFAOYSA-N 405.907 3.069 0 40 HGAB COC(=O)c1ccc([C@H]2NC(=O)N(C)C(C)=C2C(=O)OCCOc2ccccc2)cc1 2057822 OFPDHBVLNSZYLY-HXUWFJFHSA-N 424.453 3.066 0 40 HGAB CCOC(=O)C1=C(C)N=C2S[C@@H](CC)C(=O)N2[C@@H]1c1ccc(OC(C)=O)cc1 2702467 KYVGNUXANDEZKD-DOTOQJQBSA-N 402.472 3.214 0 40 HGAB CCOC(=O)c1sc2ncn3nc(Cn4nc(C(F)(F)F)cc4C)nc3c2c1C 2791657 UZNYQADQUUCLRI-UHFFFAOYSA-N 424.408 3.396 0 40 HGAB COc1ccc(OCCC(=O)OCC(=O)Nc2ccc(Br)cc2)cc1 3241088 GBYBBWHMOWIYFU-UHFFFAOYSA-N 408.248 3.409 0 40 HGAB COc1ccc(C)cc1-n1nnnc1SCC(=O)N[C@H](C)c1ccc(F)cc1 3343891 OHJPIBVPBXWIOX-CYBMUJFWSA-N 401.467 3.088 0 40 HGAB Cc1ccc(COC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)cc1 3377497 WGOWHFLJRVUZQN-UHFFFAOYSA-N 409.891 3.026 0 40 HGAB COc1ccc(CNC(=O)c2ccccc2SCC(=O)NC(C)C)cc1OC 3458913 KLYGLEWOLZRVIK-UHFFFAOYSA-N 402.516 3.251 0 40 HGAB COc1ccc(/C=C2\N=C(S[C@@H]3CCOC3=O)N(c3cccc(OC)c3)C2=O)cc1 3502613 YOIAKAGZABNQGK-XLXASQRYSA-N 424.478 3.496 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)OCC(=O)c2ccccc2)cc1 3530040 JSYREKOSDGPKLZ-NTCAYCPXSA-N 401.484 3.156 0 40 HGAB COCCn1c(C)cc(C(=O)COC(=O)c2c(NC(C)=O)sc(C)c2C)c1C 3542894 DYTSQPCSMKVLQM-UHFFFAOYSA-N 406.504 3.428 0 40 HGAB O=C(CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O)c1ccc(Br)cc1 3600826 YUWHWZXACFEEKW-HXUWFJFHSA-N 413.271 3.415 0 40 HGAB CCCCn1c(=O)c2c(nc3n2C[C@@H](C)CN3c2cccc(Cl)c2)n(C)c1=O 4249452 KVQUBUAXBWWPGN-ZDUSSCGKSA-N 401.898 3.138 0 40 HGAB Cn1c(=O)n(CCCc2ccccc2)c(=O)c2c1nc1oc(-c3ccccc3)cn12 4317120 GFOLUXMYGYAKPN-UHFFFAOYSA-N 400.438 3.241 0 40 HGAB O=C(CCC(=O)N1CCN(c2ccc(F)cc2)CC1)NCCc1ccc(Cl)cc1 4678023 KCBYGLUTTKRWHH-UHFFFAOYSA-N 417.912 3.267 0 40 HGAB COc1ccc(NC(=O)C2=C(C)Nc3nnnn3[C@H]2c2ccc(SC)cc2)cc1 4770168 QQLJCBJFVVAJKO-SFHVURJKSA-N 408.487 3.331 0 40 HGAB O=C(NCc1ccccc1)[C@@H](c1ccccn1)N(C(=O)c1csnn1)C1CCCC1 4858825 XEYVFRZTRTXWOA-HXUWFJFHSA-N 421.526 3.376 0 40 HGAB COc1ccccc1NC(=O)c1ccc(NC(=O)Cn2nnc3ccccc32)cc1 5109983 IOKDEEOCTWGHCT-UHFFFAOYSA-N 401.426 3.331 0 40 HGAB Cc1c(Cl)cccc1NC(=O)CSc1nnc(Cc2ccccc2)c(=O)[nH]1 5154664 NVJGIGCWPDZBNB-UHFFFAOYSA-N 400.891 3.448 0 40 HGAB CCCCn1c(O)c(C(=O)Nc2c(O)[nH]c3ccccc3c2=O)c(=O)c2ccccc21 5883667 LDASYOVQSDPEDS-UHFFFAOYSA-N 419.437 3.307 0 40 HGAB CCCCN1C(=O)c2ccc(C(=O)N(C)CC(=O)Nc3cccc(C)c3C)cc2C1=O 7408077 YVKCLCOUXHWPDJ-UHFFFAOYSA-N 421.497 3.410 0 40 HGAB CCNC(=O)c1cccc(NC(=O)CN2CCC[C@@H]2c2ccc(OC)cc2OC)c1 7742080 CEKZFVKKZZZZQT-HXUWFJFHSA-N 411.502 3.229 0 40 HGAB CCOc1c(I)cc(I)cc1C=O 8253448 LSRZGHYOLLVQRF-UHFFFAOYSA-N 401.969 3.107 0 40 HGAB COc1ccc(C(=O)N[C@H](C)CCc2ccccc2)cc1S(=O)(=O)NC(C)C 8475957 QFWNABUTXNEXGQ-MRXNPFEDSA-N 404.532 3.133 0 40 HGAB COc1ccc2c(c1OC)C(=O)O[C@H]2N1C(=O)CC[C@H]1C(=O)Nc1ccc(C)cc1C 9033960 COIRBZUOFZPQFR-KSFYIVLOSA-N 424.453 3.119 0 40 HGAB biogenic O=C(NCc1ccc(Cl)cc1Cl)C1CCN(c2ncnc3[nH]cnc23)CC1 9059551 HSZKDKVIBAIZHD-UHFFFAOYSA-N 405.289 3.193 0 40 HGAB CN(C)CCNC(=O)c1ccc(Nc2c(-c3ccccc3)nc3cnccn23)cc1 9191795 FPMHCUQMXRMUJF-UHFFFAOYSA-N 400.486 3.431 0 40 HGAB CCc1nnc(NC(=O)c2ccccc2NS(=O)(=O)Cc2ccccc2)s1 9355773 LVENYGBXHWZRPB-UHFFFAOYSA-N 402.501 3.295 0 40 HGAB CCCn1c(S[C@@H](C)C(=O)NC[C@H]2CCCO2)nc2cc(Cl)ccc2c1=O 9398837 CCEYCDUPPKQQPS-GXTWGEPZSA-N 409.939 3.236 0 40 HGAB COc1ccc(CCSC2=N[C@@H]3CS(=O)(=O)C[C@H]3N2c2ccc(F)cc2)cc1 9422033 RYUYHMMCIRKJEQ-RTBURBONSA-N 420.531 3.152 0 40 HGAB COc1ccc(NC(=O)Cc2csc(NC(=O)c3ccc4c(c3)OCO4)n2)cc1 9659288 KOQBOVQWECXKQS-UHFFFAOYSA-N 411.439 3.314 0 40 HGAB CC[C@@H](C)n1c(C)c(C)n2c3c(=O)n(Cc4ccc(Cl)cc4)c(=O)n(C)c3nc12 10104246 NWBRTDFQLIZBEQ-GFCCVEGCSA-N 413.909 3.439 0 40 HGAB CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3c(OC)ccc(OC)c3s2)cc1 10253204 FLLRPNZPKXOWDK-UHFFFAOYSA-N 420.512 3.288 0 40 HGAB O=C(COC(=O)c1ccc(CN2CCCC2=O)cc1)Nc1cccc2ncccc12 10375502 JIHDCBUGFYGCEY-UHFFFAOYSA-N 403.438 3.153 0 40 HGAB Cc1ccc(-c2cnc(CCC(=O)OCCN3C(=O)c4ccccc4C3=O)o2)cc1 11642827 ODUCFJYCGLURAQ-UHFFFAOYSA-N 404.422 3.422 0 40 HGAB CCOC(=O)C1(C[C@H]2CC(c3ccc(F)cc3)=NO2)CCN(C[C@H]2CCOC2)CC1 12156691 BDJJGWUCPMHXPT-YLJYHZDGSA-N 418.509 3.391 0 40 HGAB COc1ccc2cc(C(=O)NCCC(=O)NCCc3c[nH]c4ccccc34)[nH]c2c1 12296826 ODYZROVXXAPQTH-UHFFFAOYSA-N 404.470 3.137 0 40 HGAB biogenic Cc1nc2c(C(N)=O)ncn2c(C)c1CCC(=O)NCC1(c2ccccc2)CCCC1 12535772 YDEDZHQLVZZUFM-UHFFFAOYSA-N 419.529 3.006 0 40 HGAB CC(C)c1c(NS(=O)(=O)c2cc(F)ccc2F)c(=O)n(-c2ccccc2)n1C 12536090 RAKCDFQRENTHCP-UHFFFAOYSA-N 407.442 3.378 0 40 HGAB CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)C[C@H]1OC(=O)c2ccccc21 12898947 JUMRDURYLMFRLX-MRXNPFEDSA-N 406.360 3.404 0 40 HGAB COCCNS(=O)(=O)c1ccc(C(=O)N[C@H](CC(C)C)c2ccccc2)cc1 13001048 ONDLZGQMSVNTOP-HXUWFJFHSA-N 404.532 3.129 0 40 HGAB Cn1c(SCc2ccccc2)nc(=O)c2c1NC(=O)C[C@H]2c1ccc2c(c1)OCO2 13567473 KLHZKPSDSKVNDQ-HNNXBMFYSA-N 421.478 3.275 0 40 HGAB CCOC(=O)C1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1cccc(OCC)c1 14162585 XWDFQLCGXZWXIQ-KRWDZBQOSA-N 407.422 3.449 0 40 HGAB NC(=O)COc1ccc([C@H]2CC(=O)Nc3c2sc(C(=O)O)c3-c2ccccc2)cc1 15107431 CJGSOGSBHQEHMW-OAHLLOKOSA-N 422.462 3.452 0 40 HGAB COc1ccc(S(=O)(=O)Nc2ccc(Nc3nc(C)cc(N(C)C)n3)cc2)cc1 17013771 SFPPHJJXYWHVSV-UHFFFAOYSA-N 413.503 3.404 0 40 HGAB Cc1ccc2c(c1)C(=O)CC1(CCN(C(=O)[C@H](C)Cn3nnc4ccccc43)CC1)O2 19218104 GXSIHHKSMXYVSP-QGZVFWFLSA-N 418.497 3.402 0 40 HGAB O=C(NC[C@H]1CCCOC1)[C@@H]1CN(Cc2ccccc2)C[C@H]1C(=O)c1ccc(F)cc1 19372549 RPXAZOUXKVXVAR-UEVCKROQSA-N 424.516 3.299 0 40 HGAB COc1ccc(-c2cc3nc([C@H](C)NC(=O)Cc4ccc(F)cc4)nn3cn2)cc1 19574443 GJPQTJOTRIPGDM-AWEZNQCLSA-N 405.433 3.359 0 40 HGAB C/C(=C\c1ccccc1)CN1CCO[C@H](c2nc(N(C)C)ncc2-c2cncnc2)C1 19692662 KMJGMLAXNOSYRG-VLBBBODESA-N 416.529 3.476 0 40 HGAB CC(=O)N1CCO[C@H](c2c(C(=O)NCCc3ccccn3)sc3ccccc23)C1 19696875 YOHNEPDTLAIYEM-SFHVURJKSA-N 409.511 3.189 0 40 HGAB COc1ccccc1[C@@H](CNC(=O)c1cc(-c2ccccc2)on1)N1CCOCC1 19796754 VLSJGTDWSOHRKO-HXUWFJFHSA-N 407.470 3.154 0 40 HGAB CCOc1ccc([C@@H](C)NC(=O)[C@@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)cc1 20108818 DNRYZVSUZCLWFA-HUUCEWRRSA-N 408.495 3.256 0 40 HGAB O=S1(=O)C=C[C@@H](N(c2ccccc2)S(=O)(=O)c2ccc(Cl)c(Cl)c2)C1 20553718 WZVXOLXOCDBYKD-CYBMUJFWSA-N 418.323 3.499 0 40 HGAB COc1ccccc1[C@H]1N=C2NCN(Cc3ccco3)CN2c2nc3ccccc3n21 20638550 DSSVWEUQQXYIOS-NRFANRHFSA-N 414.469 3.381 0 40 HGAB C[C@@H](Sc1nc(-c2cccs2)n[nH]1)C(=O)N1CCN(Cc2ccccc2)CC1 22025274 VRMNIGKESLFBCA-OAHLLOKOSA-N 413.572 3.358 0 40 HGAB C[C@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)Nc1ccccc1N1CCCC1)C2=O 22639732 JHJMLOLADXWIDM-HJPURHCSSA-N 412.534 3.362 0 40 HGAB O=C1CCCN1Cc1ccc(C(=O)N2CCN(Cc3ccc(Cl)s3)CC2)cc1 23990124 GEFPMYORKKVFKC-UHFFFAOYSA-N 417.962 3.482 0 40 HGAB CC(C)c1ccccc1OC[C@@H](O)Cn1cnc2c(cnn2-c2ccccc2)c1=O 25058340 PUWONTYBAFOJFE-SFHVURJKSA-N 404.470 3.146 0 40 HGAB Cc1ccc([C@H](CNC(=O)c2cc(=O)c3ccc(C)cc3o2)N2CCOCC2)cc1 28291661 UPXXTELZMGJNFT-FQEVSTJZSA-N 406.482 3.213 0 40 HGAB COc1ccc(NS(=O)(=O)c2cc(C(=O)O)cc(C)c2C)cc1OC(F)F 29326935 SHRDPOCNRIRAJT-UHFFFAOYSA-N 401.387 3.412 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC(=O)NCc2ccc(F)cc2)cc1 30983344 UPOORCDKMOLBKS-OAHLLOKOSA-N 407.511 3.417 0 40 HGAB O=C(COc1ccc(Cl)cc1Br)NCc1cccnc1-n1ccnc1 32778087 SLFTXBSWZIOSJV-UHFFFAOYSA-N 421.682 3.378 0 40 HGAB NS(=O)(=O)c1ccc(CNC(=O)CCc2ccc(-c3ccccc3F)o2)s1 32787339 GOATWCARWLYJBF-UHFFFAOYSA-N 408.476 3.044 0 40 HGAB COc1ccccc1-c1nc(Cn2nnc(C(=O)Nc3ccccc3C)c2N)c(C)o1 33291648 NKOSCGKYZRWGKL-UHFFFAOYSA-N 418.457 3.441 0 40 HGAB O=C(Oc1cccc(Br)c1)C1=C(c2ccccc2)S(=O)(=O)CCO1 36366935 ACWAVJLGDVPIEC-UHFFFAOYSA-N 409.257 3.168 0 40 HGAB COC(=O)CNC(=O)c1ccc(NC(=O)NCCc2ccc(Cl)cc2Cl)cc1 40104147 BPLINYBLJNEJAL-UHFFFAOYSA-N 424.284 3.260 0 40 HGAB C[C@@]1(c2cccc(NC(=O)CCc3ncc(-c4ccccc4F)o3)c2)NC(=O)NC1=O 40110972 VTEWGLJQMXWDDK-QFIPXVFZSA-N 422.416 3.107 0 40 HGAB O=C(Nc1ccc(C(=O)N2CCC(c3nnc4ccccn34)CC2)cc1)NC1CC1 40145108 XVROTZMCKRICPZ-UHFFFAOYSA-N 404.474 3.033 0 40 HGAB Cc1ccc(Cn2c(=O)c3ccccc3n(CC(=O)Nc3cccc(F)c3)c2=O)cc1 40478480 WPXASKOEOPNBQE-UHFFFAOYSA-N 417.440 3.298 0 40 HGAB Cc1ccc(S(=O)(=O)N(CC(=O)NCc2cccnc2)c2ccccc2C)cc1 44792641 KDVSQSMFYQWTHV-UHFFFAOYSA-N 409.511 3.210 0 40 HGAB COc1ccc([C@H](C)NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)cc1 44904347 RHCJGNRHSQVNRK-GOEBONIOSA-N 408.545 3.035 0 40 HGAB Cc1ccc(N2CN(CC(=O)Nc3ccccc3C)S(=O)(=O)c3cccnc32)cc1 49411435 HLUZJSVBICXHCK-UHFFFAOYSA-N 422.510 3.437 0 40 HGAB O=C(Nc1cccc(-c2nc(C3CC3)n[nH]2)c1)c1cccc(N2CCCS2(=O)=O)c1 58267042 HJEXAGKBUAENDN-UHFFFAOYSA-N 423.498 3.141 0 40 HGAB Cc1cc(C)c(NC(=O)Cn2nc3cc(-c4ccccc4)nc(C)n3c2=O)c(C)c1 65196608 LNRWAAAGOGGODP-UHFFFAOYSA-N 401.470 3.430 0 40 HGAB COc1ccc2c(C3CCN(CCc4c(C)nc5n(c4=O)CCCC5)CC3)noc2c1 65739908 DGIQBNGKAIWZIU-UHFFFAOYSA-N 422.529 3.460 0 40 HGAB in-vitro COc1ccc(C(F)(F)F)cc1NC(=O)CSc1ccc(-n2cccn2)nn1 70635225 WMXBPQPAJDDVAQ-UHFFFAOYSA-N 409.393 3.421 0 40 HGAB CCOC(=O)c1ccc(NC(=O)CN2C(=O)C(c3ccc(F)cc3)=NC2(C)C)cc1 71769010 ATJXZDBPWBEDNJ-UHFFFAOYSA-N 411.433 3.009 0 40 HGAB CC1CCN(S(=O)(=O)N2CCC3(CC2)C[C@H]3c2nnc(-c3ccccc3)o2)CC1 71889720 PNOBNLBZGHHOEB-SFHVURJKSA-N 416.547 3.283 0 40 HGAB NC(=O)N[C@@H](CC(=O)N1CC(OCc2cccc3ccccc23)C1)c1cccs1 72306729 WSJOSJNQWSXDGF-IBGZPJMESA-N 409.511 3.428 0 40 HGAB O=C(Cc1c[nH]c2ccccc12)Nc1cc(N2CCN(c3ccccc3)CC2)ncn1 77200539 CEEVIFGCTATSLC-UHFFFAOYSA-N 412.497 3.466 0 40 HGAB CN(C)C(=O)C1CCN(Cc2ccnc(-c3ccc(Br)cc3)n2)CC1 89310383 NCXQODGSTREKBI-UHFFFAOYSA-N 403.324 3.206 0 40 HGAB Cc1nn(C)c(C)c1-c1cc(C(=O)N2CCC(O)(c3ccc(Cl)cc3)CC2)n[nH]1 95479688 HCGJLSKCFMEKSE-UHFFFAOYSA-N 413.909 3.204 0 40 HGAB Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)N(C)C[C@H](O)C(F)(F)F 95993479 NMLOKRTWWNTZMK-LBPRGKRZSA-N 404.385 3.443 0 40 HGAB Cc1ccc(NC(=O)N2CCC3(CC2)CN(CC(C)C)C[C@]32CCN(C)C2=O)cc1 96144216 JXFYELINCHREOO-DEOSSOPVSA-N 412.578 3.429 0 40 HGAB COc1ccc(C2=NO[C@@H]3C(=O)N(c4ccc5ccccc5c4)C(=O)[C@H]23)c(OC)c1 101214441 OCDKRZKEVHNGKR-CTNGQTDRSA-N 402.406 3.150 0 40 HGAB C[C@H](C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1-2)N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 101420117 DKXDHAXHWXDIGD-JVSLWNOPSA-N 412.445 3.032 0 40 HGAB COC(=O)[C@@](NNc1ccccc1)(c1c(C)nn(-c2ccccc2)c1O)C(F)(F)F 104299000 DIVMMEGVAWELEI-IBGZPJMESA-N 420.391 3.434 0 40 HGAB CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)NCC1(c2ccccc2)CCOCC1 106165468 REOQWOLMOJVKOU-QHCPKHFHSA-N 406.526 3.387 0 40 HGAB O=S1(=O)[C@@H]2CCN(Cc3cccnc3)CC[C@@H]2CN1Cc1ccc(Cl)cc1 107183608 FYUWKQBPYAHHTP-UYAOXDASSA-N 405.951 3.161 0 40 HGAB CCOc1ccccc1CNC(=O)CCCN(c1ccc(C)cc1)S(C)(=O)=O 113956467 MSMAGDSRODCGDJ-UHFFFAOYSA-N 404.532 3.256 0 40 HGAB CCc1ccc(N(CCCC(=O)Nc2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1 222643480 ALJCVSCKSFNYIG-UHFFFAOYSA-N 418.515 3.205 0 40 HGAB COc1ccc(C(=O)N2c3ccccc3C[C@H]2C)cc1S(=O)(=O)N1CCCCC1 222915404 VJSYRKQERWNMAO-MRXNPFEDSA-N 414.527 3.461 0 40 HGAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1-n1cnnc1 223335953 OICLSZPHKRETLD-UXHICEINSA-N 419.514 3.169 0 40 HGAB COc1ccc(N([C@@H](C)C(=O)NC[C@@H](C)c2ccccc2)S(C)(=O)=O)cc1Cl 224047409 FGSYSJGSQSLKBD-CABCVRRESA-N 424.950 3.423 0 40 HGAB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NCC(C)(C)C)C1CCCCC1 226080162 VPIXWERYXKEXNH-UHFFFAOYSA-N 410.580 3.489 0 40 HGAB O=S(=O)(NC[C@@H](c1ccco1)N1CCSCC1)c1cccc(C(F)(F)F)c1 245026678 NFVXKCMWGJUPEJ-HNNXBMFYSA-N 420.478 3.367 0 40 HGAB C[C@H](CCC(=O)O)[C@@H]1CC[C@@H]2[C@@H]3[C@H](C[C@H](O)[C@]12C)[C@]1(C)CC[C@H](O)C[C@@H]1C[C@H]3O 253609717 BHQCQFFYRZLCQQ-OQOHHUHFSA-N 408.579 3.449 0 40 HGAB CC(=O)N1[C@@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)N2C(=O)c1ccnc(C)n1 257203768 AROUBKPCKFOBPE-LYVDORBWSA-N 418.541 3.400 0 40 HGAB CO[C@H]1CC[C@H](NC(=O)Cn2cc(C(=O)c3ccc(F)cc3)c3ccncc32)CC1 257289410 PYMRDBJAZXGQEC-IYARVYRRSA-N 409.461 3.480 0 40 HGAB Cc1nc([C@@H]2CCCN(C(=O)CCc3ccccc3)C2)nc(C)c1CC(=O)NC(C)C 257305482 SQGFVHQGKNCFCH-OAQYLSRUSA-N 422.573 3.499 0 40 HGAB CC(C)n1cnc([C@H]2CN(Cc3ccccc3)C[C@@]23OCCN(CC2CCC2)C3=O)c1 306126030 DKBHTDLNPCYXGE-RCZVLFRGSA-N 422.573 3.461 0 40 HGAB O=S1(=O)CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC[C@H]1c1cccs1 390828877 CAOFMUGGFYUNCL-INIZCTEOSA-N 419.977 3.093 0 40 HGAB C[C@@H]1C=CC[C@@H]2C(=O)N(c3cccc(C(=O)Nc4ccccc4C(=O)O)c3)C(=O)[C@H]21 408671855 LRNPJAWJMANISB-FMEYXAORSA-N 404.422 3.339 0 40 HGAB CCn1c(SCC(=O)Nc2ccccn2)nnc1[C@@H](C)NC(=O)c1cccc(C)c1 409136867 YQOOGSDAZGMVQJ-OAHLLOKOSA-N 424.530 3.223 0 40 HGAB CCCN(CCC)C(=O)CN1C(=O)S/C(=C\c2ccc(OC)c(OC)c2)C1=O 409214880 YQBZCDXCOILWHF-ATVHPVEESA-N 406.504 3.389 0 40 HGAB O=C(O)c1ccc(S(=O)(=O)NCCc2ccc(OCc3ccccc3)cc2)cc1 566988181 OWFPHZSIBXHHCN-UHFFFAOYSA-N 411.479 3.485 0 40 HGAB Cc1nn(CCNC(=O)CCS(=O)(=O)c2ccccc2)c(C)c1-c1cccs1 575612502 FZLKRBOGYOOHLX-UHFFFAOYSA-N 417.556 3.209 0 40 HGAB Cc1nc(Nc2nnc(C)s2)cc([C@H]2CCCN2C(=O)/C=C/c2ccccc2)n1 585292736 SCFPZVFATIXKHW-DOJUMQAQSA-N 406.515 4.065 0 40 HGAB NC(=O)C1(c2ccccc2)CCN(C(=O)NC[C@H]2CCCN2C2CCCCC2)CC1 684805800 RGVYIHYLBQJOCY-OAQYLSRUSA-N 412.578 3.012 0 40 HGAB COc1ccc(-c2ncnc(N3CCN(Cc4cc(C5CC5)on4)CC3)c2F)cc1 1775972736 TWIJPTMJORQADA-UHFFFAOYSA-N 409.465 3.479 0 40 HGAB CNc1cncc([C@H]2CCCN2C(=O)C2(Cc3ccccc3F)CCN(C)CC2)n1 1848357100 PKCJGBNYMDGKPN-HXUWFJFHSA-N 411.525 3.276 0 40 HGAB CCOc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)cc1 791860 JDVDXFMBNSKXDM-QGZVFWFLSA-N 402.516 3.433 0 40 HGAB CCOc1cc([C@H]2C(C(=O)OC)=C(c3ccccc3)Nc3ncnn32)ccc1OC 803066 MKYDXAMTICWVBP-FQEVSTJZSA-N 406.442 3.285 0 40 HGAB Cc1ccc2cc([C@H](c3nnnn3Cc3ccccc3)N3CCCC3)c(=O)[nH]c2c1 892599 AZYHTBOUPPQCEG-OAQYLSRUSA-N 400.486 3.057 0 40 HGAB O=C(OCn1ncc(Br)c(Br)c1=O)c1ccccc1Cl 1386256 SONRITFXFYRCJG-UHFFFAOYSA-N 422.460 3.236 0 40 HGAB O=C(O)c1ccc(NC(=O)[C@@H]2CCC[C@@H](C(=O)Nc3ccc(C(=O)O)cc3)C2)cc1 1513417 SHIRTAVQITWLKS-HZPDHXFCSA-N 410.426 3.467 0 40 HGAB COc1ccc(C(=O)NC(=S)Nc2ccccc2-c2nn3c(C)nnc3s2)cc1 2206899 SSOQTISOXRGMQS-UHFFFAOYSA-N 424.511 3.297 0 40 HGAB CC(C)CNC(=O)c1c(N)n(-c2ccc3c(c2)OCO3)c2nc3ccccc3nc12 2256730 KNYREZBZIBKCQK-UHFFFAOYSA-N 403.442 3.270 0 40 HGAB COc1cc2c(cc1OC)CN(S(=O)(=O)c1ccc(Br)cc1)CC2 2444128 BSRDBOLHXNMOKP-UHFFFAOYSA-N 412.305 3.213 0 40 HGAB CCn1c(SCC(=O)Nc2ccc(C(N)=O)cc2)nnc1-c1ccccc1Cl 2450701 QMKSWUNCYBFANF-UHFFFAOYSA-N 415.906 3.448 0 40 HGAB CSc1ncccc1C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 2726348 XKUGKMJOLRUTFI-UHFFFAOYSA-N 406.514 3.313 0 40 HGAB COc1cc(OC)cc(C(=O)OCC(=O)Nc2ccc(Br)cc2F)c1 3219437 OESSCAMHVWLVJK-UHFFFAOYSA-N 412.211 3.401 0 40 HGAB CCn1cc(C(=O)OCC(=O)N[C@H](C)CCc2ccccc2)c(=O)c2ccc(C)nc21 3330987 FMHMCSFXNRGVCH-MRXNPFEDSA-N 421.497 3.019 0 40 HGAB Cc1cc(C(=O)COC(=O)c2nn(C)c(=O)c3ccccc23)c(C)n1Cc1ccco1 3345727 BBOGLPNSJUHYSR-UHFFFAOYSA-N 419.437 3.033 0 40 HGAB Cc1ccc(C)c(C(=O)COC(=O)CN2C(=O)N[C@]3(C[C@H](C)CC(C)(C)C3)C2=O)c1 3380309 MNBBTQUQYBUIPW-CMJOXMDJSA-N 414.502 3.166 0 40 HGAB CCOC(=O)c1cc(CC)sc1NC(=O)COC(=O)c1ccc2c(c1)OCCO2 3531046 WECFMFRSWCDXMZ-UHFFFAOYSA-N 419.455 3.054 0 40 HGAB COc1cc(OC)cc(C(=O)OCC(=O)c2cc(C)n(C[C@@H]3CCCO3)c2C)c1 3542584 CGIUPBGBWWAVLV-KRWDZBQOSA-N 401.459 3.341 0 40 HGAB Cc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)cc1 4148327 BATIIJWKSVBLAO-UHFFFAOYSA-N 408.545 3.216 0 40 HGAB Nc1c(-c2nc(-c3ccccc3)no2)nnn1-c1ccc(Br)cc1F 4316588 XVPLFAQSHKIWDN-UHFFFAOYSA-N 401.199 3.468 0 40 HGAB COc1ccc(NC(=O)CSc2nnc(NC(=O)C(C)(C)C)s2)cc1OC 4328739 WKPLPOOVSMPWRJ-UHFFFAOYSA-N 410.521 3.271 0 40 HGAB CC1(C)CC(=O)c2sc(NC(=O)CS(=O)(=O)c3ccc(Cl)cc3)nc2C1 4496162 QAMSBQQUAKBBNS-UHFFFAOYSA-N 412.920 3.364 0 40 HGAB CCOc1ccc(N2C(=O)N(c3cccc(Cl)c3)[C@@H]3CS(=O)(=O)C[C@H]32)cc1 4510346 XCRNOGFWVPAVHH-QZTJIDSGSA-N 406.891 3.351 0 40 HGAB COc1ccccc1N1C(=O)CN(NC(=O)C(c2ccccc2)c2ccccc2)C1=O 5018969 HSCAYLRWXIYVLW-UHFFFAOYSA-N 415.449 3.327 0 40 HGAB Cc1ccc(S(=O)(=O)c2cnc(-c3ccccc3)nc2N2CCN(C)CC2)cc1 5739252 IJROMUTUCWCBDZ-UHFFFAOYSA-N 408.527 3.037 0 40 HGAB COc1cc([C@@H]2C(C(=O)O)=C(C)Oc3cc4c(cc32)OCO4)cc(OC)c1OC 5757516 IDADLLJOYKJGOF-IBGZPJMESA-N 400.383 3.324 0 40 HGAB COc1ccc(Cl)cc1NC(=O)CN(C)CC(=O)N[C@H]1CCCc2ccccc21 6580490 XFVMHQZMAWIRMB-SFHVURJKSA-N 415.921 3.413 0 40 HGAB CSCC[C@@H](NC(=O)c1cccc(C)c1)C(=O)NCc1ccccc1CN(C)C 6882024 CIBUWTWXHXCEIA-OAQYLSRUSA-N 413.587 3.225 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N[C@@H]2CCCc3ccccc32)cc1 7807523 PLYRYMOEUAAXPJ-RTWAWAEBSA-N 414.527 3.042 0 40 HGAB C[C@H](NC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1)c1ccccc1 8039978 XSCMBYVYKKAFMT-GOEBONIOSA-N 400.862 3.114 0 40 HGAB CCCNC(=O)[C@H]1CN(C(=O)c2cc(Cl)c3c(c2)OCO3)c2ccccc2O1 8305206 JQFGPOXMLZQTEB-QGZVFWFLSA-N 402.834 3.003 0 40 HGAB C[C@H]1CCCC[C@H]1NC(=O)CC[C@@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O 8764303 JCHMEGONFIBRDV-CVAIRZPRSA-N 410.518 3.106 0 40 HGAB biogenic COc1ccc([C@@H]2[C@H](C(=O)c3ccccc3)[C@](O)(C(F)(F)F)N(C)C(=O)N2C)cc1 8861916 PKQPXAKKMPEKAN-HLIPFELVSA-N 422.403 3.484 0 40 HGAB Cc1ccc(N2C(=O)N(c3cccc(Br)c3)[C@H]3CS(=O)(=O)C[C@H]32)cc1 9254251 AYTKOZVGSFIUCA-SJORKVTESA-N 421.316 3.370 0 40 HGAB Cn1c(CNC(=O)c2ccco2)nnc1SCC(=O)Nc1cccc2ccccc12 9261592 MMFDKAJDQJUTJX-UHFFFAOYSA-N 421.482 3.222 0 40 HGAB O=C(COc1ccc(-n2cnnn2)cc1)N1CCC(c2nc3ccccc3s2)CC1 9862782 QOKXGHWZGBAJAJ-UHFFFAOYSA-N 420.498 3.057 0 40 HGAB CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ncc(Cc3ccc(F)cc3)s2)cc1 9949347 OURXSMNJPPTNTH-UHFFFAOYSA-N 419.503 3.376 0 40 HGAB COc1ccc(CN(C)C(=O)[C@H](C)N(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1 10370656 SWBBPAMFJRXSCD-HNNXBMFYSA-N 424.950 3.470 0 40 HGAB C[C@@H](OC(=O)c1cc(S(C)(=O)=O)ccc1Cl)C(=O)N1c2ccccc2C[C@H]1C 11311687 ZYCDWMLYXLUUBK-CHWSQXEVSA-N 421.902 3.267 0 40 HGAB COc1cccc(-c2c(NCc3ccccc3)oc3c2c(=O)n(C)c(=O)n3C)c1OC 11615588 GPPPREFYECGVEV-UHFFFAOYSA-N 421.453 3.127 0 40 HGAB CS(=O)(=O)c1ccc(CC(=O)N[C@@H](Cc2ccsc2)c2nccs2)cc1 12226634 PDGSEBNNIPPOKY-INIZCTEOSA-N 406.554 3.251 0 40 HGAB Cc1ccc(-n2ncc3c(C)nn(CC(=O)Nc4ccc(F)cc4F)c(=O)c32)cc1C 12228768 CQVQGYQXHVEVCA-UHFFFAOYSA-N 423.423 3.424 0 40 HGAB COc1cc(-c2nc(C)c(C(=O)N[C@@H](CO)CC(C)C)s2)cc(OC)c1OC 12407447 GSSDJHLOFVNRCQ-CQSZACIVSA-N 408.520 3.281 0 40 HGAB CCc1nnc(NC(=O)CSc2nc3sc4c(c3c(=O)[nH]2)CC[C@H](C)C4)s1 12494126 PAZPOOWYUKCHSC-QMMMGPOBSA-N 421.573 3.254 0 40 HGAB COc1nc2cc(C)ccc2cc1CN1CCc2c(nc(-c3ccncc3)[nH]c2=O)C1 12666639 UHOONPQOKPLCRM-UHFFFAOYSA-N 413.481 3.255 0 40 HGAB Cc1csc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccccc2F)n1 12736430 RGKBCAYIYGYTHV-MRXNPFEDSA-N 419.503 3.119 0 40 HGAB O=S(=O)(N[C@@H](CN1CCOCC1)c1ccccc1)c1cc(Cl)ccc1Cl 12772208 ACEOMJHSEQBUKY-KRWDZBQOSA-N 415.342 3.345 0 40 HGAB O=C(NCc1ccccc1)C1CCN(Cn2nnn(C3CCCCC3)c2=S)CC1 12789079 SOTRBDFVTOZELQ-UHFFFAOYSA-N 414.579 3.300 0 40 HGAB O=C(NC1CCCC1)c1ccccc1NC(=O)[C@@H]1CCCN(C(=O)c2ccoc2)C1 12923769 MUEQDJSRWNZJIZ-MRXNPFEDSA-N 409.486 3.443 0 40 HGAB CC(C)[C@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)NC1CC(C)(C)NC(C)(C)C1 13006214 GPQZDPVEIAOCAJ-HYSAVQALSA-N 421.607 3.027 0 40 HGAB CC[C@H](C)NC(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1 13680971 RAACQJKTSIURRM-LBPRGKRZSA-N 407.363 3.450 0 40 HGAB CC[C@@H](C(=O)Nc1cc(OC)ccc1OC)N(c1ccc(F)cc1)S(C)(=O)=O 13715264 XEWKOBPSRXKWNL-KRWDZBQOSA-N 410.467 3.026 0 40 HGAB O=C(c1ccc2c(c1)OCCO2)C1CCN(Cc2cc(=O)oc3cc(O)ccc23)CC1 14328534 QMWJSLZOQLFKGE-UHFFFAOYSA-N 421.449 3.365 0 40 HGAB Cc1cccc(N2N=C(C(=O)Nc3cc(S(C)(=O)=O)ccc3Cl)CCC2=O)c1 15910705 UFTVGCFVJJHREB-UHFFFAOYSA-N 419.890 3.173 0 40 HGAB CCC(=O)c1ccc(OC[C@H](O)CN2CCN(c3cccc(Cl)c3)CC2)cc1 16739480 YDKTUTATGPPYQA-HXUWFJFHSA-N 402.922 3.495 0 40 HGAB O=C(NCC1(c2ccccc2)CCOCC1)C(=O)Nc1ccc(OC(F)(F)F)cc1 16974440 JZGOSTDFUTYHDP-UHFFFAOYSA-N 422.403 3.388 0 40 HGAB O=c1[nH]c2cc(Br)c(NS(=O)(=O)c3ccc(Cl)cc3)cc2[nH]1 18199388 GQVVKCOGISXRSK-UHFFFAOYSA-N 402.657 3.073 0 40 HGAB COc1ccccc1[C@H]1[C@@H]2C(=O)N(c3ccc(Cl)c(F)c3)C(=O)[C@H]2N2CCCN12 19170003 HJYACQZTNOVVEN-FHWLQOOXSA-N 415.852 3.023 0 40 HGAB COc1ccccc1-c1cc(NC(=O)c2cc(-c3ccc4c(c3)OCO4)n[nH]2)n(C)n1 19288947 GCESEFZYPRQDPX-UHFFFAOYSA-N 417.425 3.467 0 40 HGAB OCCn1cc(-c2ccnc(N3CCCC3)n2)c([C@@H]2CCCN2Cc2ccccc2)n1 19371990 YNIOUQMUZSAWHY-QFIPXVFZSA-N 418.545 3.270 0 40 HGAB Cc1[nH]c2cccc(C(=O)N3CCO[C@@H](c4nc(-c5ccncc5)no4)C3)c2c1C 19576785 FFSCLXAPTVUDHN-GOSISDBHSA-N 403.442 3.443 0 40 HGAB Cc1sc(NC(=O)[C@@H]2CC(=O)N(C(C)C)C2)nc1-c1ccc2c(c1)OCCO2 19656276 XGNYWKZHSUHWJS-CQSZACIVSA-N 401.488 3.085 0 40 HGAB COc1ccc(C2=NO[C@](C)(C(=O)N(C)Cc3ccccc3N3CCOCC3)C2)cc1 19661286 RMUHCGJQWUEVLJ-DEOSSOPVSA-N 423.513 3.074 0 40 HGAB CNc1nc([C@H]2CCCN2C(C)=O)nc2c1CCN(Cc1ccc3ncccc3c1)C2 19707317 WMTLHEIKFORTGN-JOCHJYFZSA-N 416.529 3.308 0 40 HGAB CNc1nc([C@@H]2CCCCN2C(=O)CC2CCCCC2)nc2c1CN(C(C)=O)CC2 19752444 PJJRQPJGVDPYGH-FQEVSTJZSA-N 413.566 3.447 0 40 HGAB Cc1nc(C2CCN(C(=O)CCc3ccccc3)CC2)ncc1C(=O)N1CCCC1 19766425 VHIGNHPUOVLBBT-UHFFFAOYSA-N 406.530 3.360 0 40 HGAB COc1cccc(NC(=O)N[C@H]2C[C@@H](c3nc(Cc4ccccc4)no3)N(C)C2)c1 20464256 ACKCJQMWDWXCGE-HKUYNNGSSA-N 407.474 3.236 0 40 HGAB biogenic,in-vitro Fc1ccc(OCc2nn3c(COc4ccc5c(c4)OCO5)nnc3s2)cc1 20731580 GBPWWIKPWNOGSW-UHFFFAOYSA-N 400.391 3.212 0 40 HGAB CCc1nn2c(=O)cc(COC(=O)c3ccc4[nH]c5c(c4c3)CCCC5)nc2s1 22037186 MQXGWXWUBLHHKN-UHFFFAOYSA-N 408.483 3.431 0 40 HGAB Cc1ccc(C)c(C(=O)[C@H](C)Sc2nnc(CCC(N)=O)n2Cc2ccco2)c1 22749668 RCDGOTKAICJPPC-HNNXBMFYSA-N 412.515 3.318 0 40 HGAB O=C(c1ccccc1OC(F)F)N1CCN(Cc2ccc3c(c2)OCCO3)CC1 23240618 YHVVLFLFMPCXCY-UHFFFAOYSA-N 404.413 3.017 0 40 HGAB O=c1c2ccccc2nc(CN2CCOCC2)n1Cc1nc(-c2ccccc2)cs1 23936253 VTCFNQVTQSCPRD-UHFFFAOYSA-N 418.522 3.401 0 40 HGAB COc1ccc(C(=O)NCc2ccc(CN3CCOCC3)cc2)cc1Br 24207883 LOSPSPZQQQGOGM-UHFFFAOYSA-N 419.319 3.220 0 40 HGAB CSc1ccc(S(=O)(=O)NCc2ccncc2)cc1C(=O)N1CCCCCC1 26120066 IBSJOEQJENZTOY-UHFFFAOYSA-N 419.572 3.298 0 40 HGAB COC(=O)c1cn(CC(=O)N(C)CCc2ccc(OC)c(OC)c2)c2ccccc12 30864814 HVPIQIVRWCAXRF-UHFFFAOYSA-N 410.470 3.146 0 40 HGAB Cc1nccn1Cc1ccc(C(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)cc1 30942412 FFXUJSJANRWGJR-HXUWFJFHSA-N 418.497 3.401 0 40 HGAB CS(=O)(=O)N1CC[C@H](C(=O)N2CCCc3ccccc32)Oc2ccc(Cl)cc21 30946855 GEIUNQTWCZXJNV-LJQANCHMSA-N 420.918 3.237 0 40 HGAB Fc1ccc(CNc2nc(N3CCN(c4ccccc4)CC3)c3nccnc3n2)cc1 32073901 WDTSYKNDEATCFB-UHFFFAOYSA-N 415.476 3.498 0 40 HGAB CCN1CCN([C@@H](C(=O)O)c2c[nH]c3ccc(NC(=O)c4ccccc4)cc23)CC1 32096719 LZFOXNCSDTZOCU-OAQYLSRUSA-N 406.486 3.183 0 40 HGAB Cc1cc(-c2ccccc2)nc2cc(OCC(=O)Nc3ccc4c(c3)OCO4)nn12 32810263 FIHSFJCIECIQRD-UHFFFAOYSA-N 402.410 3.451 0 40 HGAB COc1ccc(/C=C/C(=O)N[C@H](C)C(=O)OCc2cc(=O)oc3cc(C)ccc23)cc1 32957566 NWRWIFTYCBBZNI-AYAUWGRQSA-N 421.449 3.371 0 40 HGAB CC(C)CS(=O)(=O)CC(=O)NCc1cn(-c2ccccc2)nc1-c1ccccc1 40131228 GOCFZTZXFRWPKJ-UHFFFAOYSA-N 411.527 3.226 0 40 HGAB CCOc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)CN(C)c1ccccc1 48308874 BEFREZDLLBFTIQ-UHFFFAOYSA-N 419.547 3.191 0 40 HGAB Cc1cccc(Cl)c1NC(=O)Cn1nc2cc(-c3ccccc3)nc(C)n2c1=O 49407162 GHUUMSSCJFBRAH-UHFFFAOYSA-N 407.861 3.467 0 40 HGAB CCN1C[C@H](CN(C)Cc2nc3sc4c(c3c(=O)[nH]2)CCC4)Oc2ccccc21 57531671 TXQBJXJANPBBHP-AWEZNQCLSA-N 410.543 3.193 0 40 HGAB Cc1cc(C)nc(N2CCC(CNC(=O)c3ccc(OC4CSC4)cc3)CC2)n1 72347504 WPVIAVPGKWBVQQ-UHFFFAOYSA-N 412.559 3.234 0 40 HGAB O=S(=O)(c1cn[nH]c1)N1CCC(c2cccc(Cc3ccccc3F)n2)CC1 72350423 RUMFFFVEXJAERW-UHFFFAOYSA-N 400.479 3.103 0 40 HGAB Cc1cc(Nc2cnccn2)cc([C@@H]2CCCN2S(=O)(=O)c2c(C)noc2C)n1 72372690 MHAYMQINSDLWSH-KRWDZBQOSA-N 414.491 3.054 0 40 HGAB CNc1nc([C@H]2CCCCN2C(=O)c2cccc3cccnc23)nc2c1CCN(C)C2 72376561 UZCZPCRZXIQKPW-HXUWFJFHSA-N 416.529 3.422 0 40 HGAB Cc1ccc([C@@H](NC(=O)CCc2cc3n(n2)CCCNC3)c2cccnc2)cc1C 72423102 MGORTPMWOCTABL-XMMPIXPASA-N 403.530 3.227 0 40 HGAB COC(=O)c1c(F)cccc1S(=O)(=O)N(C)Cc1ccccc1Br 79098231 URVNSYMQRJPNJN-UHFFFAOYSA-N 416.268 3.196 0 40 HGAB COc1cc2c(cc1OC)CN(C(=O)N[C@H](C)C(=O)Nc1ccc(Cl)cc1)CC2 95471263 UZIDLEUFBUUSMD-CYBMUJFWSA-N 417.893 3.452 0 40 HGAB C[C@@]1(C(=O)O)CCN(C(=O)c2nc(-c3cccs3)n(-c3ccc(F)cc3)n2)C1 95970837 XBWHQLQJDSHRPW-LJQANCHMSA-N 400.435 3.072 0 40 HGAB Cn1c(CNC(=O)CCCCCn2cnc3ccccc3c2=O)nc2ccccc21 96224323 PRFOIRBIHVYFQB-UHFFFAOYSA-N 403.486 3.160 0 40 HGAB Cc1nn(-c2ccccc2)c(C)c1[C@H]1C(=O)NCCN1C(=O)/C=C/c1cccc(F)c1 96872995 BCMNOTPEEUCJBO-RGPPVUSESA-N 418.472 3.341 0 40 HGAB Cn1ccnc1C1(O)[C@H]2CCC[C@H]1CN(Cc1ccc(Oc3ncccn3)cc1)C2 100150231 BIBAFRWLWXEYPB-OALUTQOASA-N 405.502 3.122 0 40 HGAB Cc1c(-c2cccs2)nn2c(O)cc([C@@H]3CC(=O)N(Cc4ccncc4)C3)nc12 100776377 COCQZLISGQCFIW-OAHLLOKOSA-N 405.483 3.383 0 40 HGAB Cc1ccc(OC[C@H](C)NS(=O)(=O)c2ccc(N3CCCC3=O)c(C)c2)cc1 219224396 DEYSETJYYYHZNJ-KRWDZBQOSA-N 402.516 3.176 0 40 HGAB Cc1cccc(CSCCNC(=O)[C@H](C)N(c2cccc(F)c2)S(C)(=O)=O)c1 220472520 AXFDKAONYYXVGS-INIZCTEOSA-N 424.563 3.338 0 40 HGAB CNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CCSCc1ccccc1 222813948 ZUXYGIMVBAZCSO-KRWDZBQOSA-N 400.544 3.482 0 40 HGAB CNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CSCc1ccc(F)cc1 222815997 JPAYXQFIAWIGSG-HNNXBMFYSA-N 404.507 3.231 0 40 HGAB Cn1c(=O)sc2cc(S(=O)(=O)NCCOc3ccc4ccccc4c3)ccc21 223646521 KCZFMRZZSLZIOB-UHFFFAOYSA-N 414.508 3.111 0 40 HGAB CCOc1ccccc1N(CCCC(=O)Nc1cccc(COC)c1)S(C)(=O)=O 224699629 ZWFGEVDAHJAJBQ-UHFFFAOYSA-N 420.531 3.417 0 40 HGAB CCOc1ccc(C(=O)NC2CC2)cc1CN(c1ccc(F)cc1)S(C)(=O)=O 224798528 QOTUCUNDQKKLHG-UHFFFAOYSA-N 406.479 3.083 0 40 HGAB CSc1cccc(N(CC(=O)Nc2ccc(N3CCCC3)cc2)S(C)(=O)=O)c1 224929288 PDDHTOVQFWUQSF-UHFFFAOYSA-N 419.572 3.413 0 40 HGAB O=C(NC[C@](O)(c1ccoc1)c1cccs1)C(=O)Nc1cccc(C(F)(F)F)c1 244955819 GBCWXWDWKVQIJW-SFHVURJKSA-N 424.400 3.351 0 40 HGAB C[C@H](NC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)c1ccccc1 408653838 FZKNTJSOCWOCBB-GOEBONIOSA-N 400.862 3.114 0 40 HGAB CCNC(=O)CN(CCc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl 409019994 LIWRNPLORUVCSB-UHFFFAOYSA-N 415.342 3.363 0 40 HGAB C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)CC(=O)N[C@H](c1cccs1)C(C)(C)C 531902085 REPQMUFQNYYUQA-AUUYWEPGSA-N 423.604 3.292 0 40 HGAB Cc1nc(N(C)C2CCN(C(C)C)CC2)cc(N(C)C2CCN(C(C)C)CC2)n1 533101208 AFMBQAKZEMDFBF-UHFFFAOYSA-N 402.631 3.403 0 40 HGAB CN(Cc1cnc2n1CCOC21CCN(C(=O)[C@H]2CC[C@H](C)CC2)CC1)CC1CC1 1565556070 WBHJLNBNMNUYFL-KESTWPANSA-N 414.594 3.399 0 40 HGAB CSC[C@H](NC(=O)CCc1c(C)c2cc3c(C)c(C)oc3cc2oc1=O)C(=O)O 2110728 GDAQWLSZIWQPJL-INIZCTEOSA-N 417.483 3.329 0 40 HGAB biogenic CC[C@H](c1nnc(SCC(=O)NCc2ccco2)n1Cc1ccccc1)N(C)C 2623559 CYJXABBQHDEXOJ-GOSISDBHSA-N 413.547 3.341 0 40 HGAB COc1ccc([C@@H]2[C@H](C(=O)NCc3ccccn3)c3ccccc3C(=O)N2C)cc1 3657846 QIJHYSCSIOGHEW-FGZHOGPDSA-N 401.466 3.317 0 40 HGAB Cn1c(=O)c2c(SCc3ccccc3F)nc(CC(C)(C)C)nc2n(C)c1=O 4139042 PRCVKWDLNFIGRM-UHFFFAOYSA-N 402.495 3.047 0 40 HGAB Cc1nnc(NC(=O)[C@@H](C)Sc2nc3sc4c(c3c(=O)[nH]2)CCCC4)s1 4736424 PLSIQXJOJDAZOZ-SSDOTTSWSA-N 407.546 3.143 0 40 HGAB COc1ccc(OCc2nnc(S[C@H](C)C(=O)Nc3nc(C)cs3)n2C)cc1 4814811 FBWDLHCUMRNNBS-GFCCVEGCSA-N 419.532 3.287 0 40 HGAB COCC(=O)N1c2ncnn2[C@@H](c2ccccc2OC)C[C@H]1c1ccc(OC)cc1 4816996 VJHXOQCTLPFANZ-RBUKOAKNSA-N 408.458 3.009 0 40 HGAB O=C(COc1ccc(Cl)cc1)N(Cc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 5164660 AWKGPQRKVHMICP-QGZVFWFLSA-N 411.882 3.074 0 40 HGAB Cc1c(C)c2cc(Cl)c(OCC(=O)Nc3ccccc3C(N)=O)cc2oc1=O 5347700 POHCVAYHMGKKNX-UHFFFAOYSA-N 400.818 3.180 0 40 HGAB CC(C)OCCCNC(=O)c1ccc(CN(c2ccccc2)S(C)(=O)=O)cc1 6345546 FDZOCBSZWHRHGJ-UHFFFAOYSA-N 404.532 3.198 0 40 HGAB O=C(Nc1nc2ccccc2[nH]1)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O 6653290 KRYALFQGERPIOW-UHFFFAOYSA-N 403.419 3.192 0 40 HGAB C[C@H](OC(=O)c1ccccc1NS(C)(=O)=O)C(=O)C12CC3CC(CC(C3)C1)C2 7780805 BSYKVMBNFFJCIM-JHMRYYBSSA-N 405.516 3.389 0 40 HGAB CN(CC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)Cc1ccsc1 7806340 UAHVCSOODOLHPL-UHFFFAOYSA-N 421.588 3.383 0 40 HGAB CCOc1ccc2nc(NC(=O)c3cccc(S(=O)(=O)N(C)C)c3)sc2c1 8023697 PHYXXEPRYSCGQL-UHFFFAOYSA-N 405.501 3.198 0 40 HGAB Cc1cc(C)cc(N2C[C@H](C(=O)OCC(=O)Nc3ccc(Cl)cc3)CC2=O)c1 8037780 GEELWTBVIUWXPR-OAHLLOKOSA-N 400.862 3.492 0 40 HGAB Nc1nc(COC(=O)c2cc(-c3ccccc3)[nH]n2)nc(Nc2ccc(F)cc2)n1 8355598 UWOSYHCNRUIDFN-UHFFFAOYSA-N 405.393 3.084 0 40 HGAB CCOC(=O)[C@H]1[C@@H](c2cccc(Cl)c2Cl)NC(=O)N(C)[C@]1(O)C(F)(F)F 8433055 PNSNPZMMVZBGOH-GLXFQSAKSA-N 415.195 3.120 0 40 HGAB CCC1(CC)NC(=O)N(CC(=O)N2CCc3sccc3[C@@H]2c2cccs2)C1=O 8755750 UQOSBKIRRKFMRH-QGZVFWFLSA-N 417.556 3.394 0 40 HGAB CCc1nnc(-c2cc3ccccc3n2CC(=O)NCc2ccc3c(c2)OCO3)o1 8769124 YCIHHZJYZKKUOO-UHFFFAOYSA-N 404.426 3.299 0 40 HGAB O=C(Cc1ccc2c(c1)CCCC2)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 9224159 SGKVHDJHBIGEAH-UHFFFAOYSA-N 422.510 3.337 0 40 HGAB CC(=O)c1ccccc1NC(=O)CSc1nc(O)c2cnn(-c3ccccc3)c2n1 9665698 DSOUTGIGOGYLMD-UHFFFAOYSA-N 419.466 3.455 0 40 HGAB CN(C)S(=O)(=O)N(CC(=O)Nc1c(Cl)cccc1Cl)c1ccc(F)cc1 9694883 MEBOLTDCXZUDRF-UHFFFAOYSA-N 420.293 3.384 0 40 HGAB CN1C(=O)N[C@H](c2cccc(F)c2)[C@@H](C(=O)c2cccs2)[C@@]1(O)C(F)(F)F 12139923 RKDPVVPQUMMOQU-WOSRLPQWSA-N 402.369 3.333 0 40 HGAB Cc1ccccc1-n1c(SC[C@@H]2COc3ccccc3O2)nnc1N1CCOCC1 12516580 HLEZNWGJKJYJMT-KRWDZBQOSA-N 424.526 3.344 0 40 HGAB CNS(=O)(=O)c1cc(NS(=O)(=O)c2c(Cl)cccc2Cl)ccc1C 12605561 OALVZSXBCZIPRF-UHFFFAOYSA-N 409.316 3.011 0 40 HGAB Cc1cccc(C)c1NC(=O)CNC(=O)Cn1c(C(F)(F)F)nc2ccccc21 12631719 GYGRQIGXZSMZNN-UHFFFAOYSA-N 404.392 3.427 0 40 HGAB C[C@H](NC(=O)c1ccccc1NC(=O)c1cccc(-n2cnnn2)c1)c1ccccc1 12788260 AHCKXCFOAKNTTG-INIZCTEOSA-N 412.453 3.406 0 40 HGAB CS(=O)(=O)Nc1cc(NC(=O)c2ccc(Br)cc2F)ccc1F 12823165 TXCXYICIMKOZFU-UHFFFAOYSA-N 405.220 3.351 0 40 HGAB CNC(=O)c1ccc(CN(C)C(=O)c2nn(-c3ccc(F)cc3)c3c2CCC3)cc1 12917434 YKGHILMGFKOOHO-UHFFFAOYSA-N 406.461 3.132 0 40 HGAB C[C@H]1CN(C(=O)c2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2)C[C@@H](C)O1 12926053 WWMQZRMZCAGNJP-OKILXGFUSA-N 408.907 3.390 0 40 HGAB Cc1cc(C(=O)CSc2nnc3ccc(Cl)nn23)c(C)n1C[C@@H]1CCCO1 13098188 UZENNDCAANOHFY-ZDUSSCGKSA-N 405.911 3.350 0 40 HGAB COCCCn1c(SCC(=O)NCC(F)(F)F)nnc1-c1ccc(Cl)cc1 13128318 MKWLATRFRNLIGB-UHFFFAOYSA-N 422.860 3.406 0 40 HGAB CC(C)(C)NC(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C1 13677993 RDFRJJYDVHUUDE-LBPRGKRZSA-N 407.363 3.450 0 40 HGAB C[C@H](NC(=O)OCc1ccccc1)C(=O)OCC(=O)Nc1ccc(OC(F)F)cc1 15635015 RBBOVWWZXGGGKL-ZDUSSCGKSA-N 422.384 3.085 0 40 HGAB O=I1(O)OC(C(F)(F)F)(C(F)(F)F)c2ccccc21 18140581 KGVAPBLSLDXIOD-UHFFFAOYSA-N 402.028 3.416 0 40 HGAB CN1CC[C@@H](c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)[C@@H](O)C1 18825325 BIIVYFLTOXDAOV-PXAZEXFGSA-N 401.846 3.305 0 40 HGAB biogenic,in-vitro CC(C)C(=O)N1CCO[C@@](Cc2ccc(-c3ccc(F)cc3)cc2)(C(=O)N(C)C)C1 19085775 PXLGYWSLZYKKDS-XMMPIXPASA-N 412.505 3.377 0 40 HGAB Cc1ccc(C)c([C@H](NC(=O)c2ccnc(N3CCOCC3)c2)c2ccncc2)c1 19132333 SNDWADZNDZVGCS-HSZRJFAPSA-N 402.498 3.449 0 40 HGAB Cc1cccc(OCCCN2CCN(Cc3cn(CC(N)=O)c4ccccc34)CC2)c1 19235182 PAFCGKYKMPQXJD-UHFFFAOYSA-N 420.557 3.022 0 40 HGAB COc1ccc(-c2cc3nc([C@@H](C)NC(=O)Cc4cccc(OC)c4)nn3cn2)cc1 19575540 OQLCRKPFECIVFV-OAHLLOKOSA-N 417.469 3.228 0 40 HGAB Cc1ccc(NC(=O)CN(c2ccccc2Br)S(C)(=O)=O)cc1C 19855569 SRBPWMGTSUTXSH-UHFFFAOYSA-N 411.321 3.471 0 40 HGAB COc1ccccc1[C@@H](c1nnnn1C(C)(C)C)N1CCN(c2ccccc2)CC1 20139543 YXYJSVXRFQHHCS-NRFANRHFSA-N 406.534 3.348 0 40 HGAB Cc1cccc(NC(=O)CSc2nc3c(=O)[nH]cnc3n2-c2ccccc2)c1C 20417814 IKLCWWCGDHBINF-UHFFFAOYSA-N 405.483 3.456 0 40 HGAB CC(C)N(C)S(=O)(=O)c1cccc(C(=O)Nc2cnc(-c3ccccc3)nc2)c1 21763286 GANYEJYRVUCRRW-UHFFFAOYSA-N 410.499 3.425 0 40 HGAB Cc1cc2occ(CC(=O)OCc3nnc4n(C)c(=O)c5ccccc5n34)c2cc1C 22091887 LFYPMEZNTPSMCG-UHFFFAOYSA-N 416.437 3.230 0 40 HGAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CN(c1ccccc1F)S(C)(=O)=O 22335367 SOUVIUPQBYBDPF-QGZVFWFLSA-N 420.506 3.319 0 40 HGAB O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)c1cccc(Br)c1 23974008 TWNNZJUPDVQLEH-SFHVURJKSA-N 407.283 3.392 0 40 HGAB Cc1cccc(OCCCNC(=O)c2sccc2S(=O)(=O)N2CCCC2)c1 25322479 KVINJXVBEBXMKT-UHFFFAOYSA-N 408.545 3.040 0 40 HGAB O=C(CCS(=O)(=O)c1ccc(Cl)cc1)Nc1cccc(C(=O)N2CCCC2)c1 29263890 HYLJMITYBVBZOK-UHFFFAOYSA-N 420.918 3.379 0 40 HGAB COc1ccc(Cc2nnc(NC(=O)[C@H]3CC(=O)N(Cc4ccccc4)C3)s2)cc1 31815273 PNNHRTNKDHUFBC-KRWDZBQOSA-N 422.510 3.125 0 40 HGAB COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2C(=O)NC(C)C)c1 32602337 QONOFGQAXUDHPY-UHFFFAOYSA-N 410.879 3.066 0 40 HGAB Cc1ccc(NC(=O)[C@@H](C)N2CCC(C(=O)N3CCCC3)CC2)c(Br)c1 32858102 LILUHIHNFHIRKY-OAHLLOKOSA-N 422.367 3.419 0 40 HGAB COc1ccc(OCCN2CCN(C(=O)c3cc(-c4ccc(C)cc4)n[nH]3)CC2)cc1 32879584 KWDKDFNIHXMLHS-UHFFFAOYSA-N 420.513 3.231 0 40 HGAB COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)C1CCN(C(C)=O)CC1)CC2 32970870 AAGSFBSYEJCSAU-XMMPIXPASA-N 422.525 3.436 0 40 HGAB C[C@H](C(=O)Nc1cccc(OCc2ccccn2)c1)N1C(=O)c2ccccc2C1=O 33181663 QCEPHOGRCQEBMF-OAHLLOKOSA-N 401.422 3.284 0 40 HGAB Cc1sc2nc(SCC(=O)NCc3ccc4c(c3)OCO4)nc(N)c2c1C 35312429 LQBNGPZTQDDZFZ-UHFFFAOYSA-N 402.501 3.028 0 40 HGAB COc1ccc(C(=O)Nc2nnc(SCC(=O)NCc3ccccc3)s2)cc1 35316108 ZSZGQZOIRSICPA-UHFFFAOYSA-N 414.512 3.208 0 40 HGAB CCOC(=O)Cc1csc(NC(=O)c2snnc2-c2ccc(OC)cc2)n1 36360013 HNVWHQPZAKLHIZ-UHFFFAOYSA-N 404.473 3.028 0 40 HGAB COc1c(C(=O)N(C)C)cn(C)c1-c1nc2cc(NC(=O)CC(C)C)ccc2n1C 36369965 HWGSIOUGXROQDR-UHFFFAOYSA-N 411.506 3.274 0 40 HGAB biogenic CNS(=O)(=O)c1ccc(CNC(=O)c2cc3cccc(Br)c3o2)cc1 36395577 JBSVCFFJQVBWGV-UHFFFAOYSA-N 423.288 3.033 0 40 HGAB CCOc1ccc([C@H]2[C@H](C(=O)Nc3ccccc3)[C@H](C)Nc3ncnn32)cc1OC 36701684 HJXMRPJZDVINSI-KPOBHBOGSA-N 407.474 3.344 0 40 HGAB O=C(OCc1nnc(-c2ccc(Br)o2)o1)c1cccnc1N1CCCC1 36735133 GDIRRBHHETWUSE-UHFFFAOYSA-N 419.235 3.444 0 40 HGAB CC(C)(C)c1ccc(OCCCN2CCN(CC(=O)N3CCCCC3)CC2)cc1 40013685 CNIFASJERRYEFQ-UHFFFAOYSA-N 401.595 3.383 0 40 HGAB O=C(Nc1cccc(C(=O)N2CCC[C@H]2c2nnc3n2CCCCC3)c1)[C@H]1CCCO1 40080368 OTSRLOHUYCTWLL-RBUKOAKNSA-N 423.517 3.099 0 40 HGAB O=C1CC[C@]2(C(=O)Nc3cccc(Br)c3)N=C(O)c3ccccc3N12 40288458 XGQNNHWXYIOBAY-SFHVURJKSA-N 400.232 3.229 0 40 HGAB COc1ccc(N[C@H](C)C(=O)N2CCN(Cc3ccccc3)CC2)cc1OC(F)F 42642731 OWZPCKRSPWXWBN-MRXNPFEDSA-N 419.472 3.441 0 40 HGAB Cc1ccc(C)c([C@H](C)NC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)c1 44905931 PPLKFDVHDSMABQ-LIRRHRJNSA-N 422.934 3.361 0 40 HGAB O=C(Nc1ccc2c(c1)C(=O)N1CCCC[C@H]1CCO2)[C@H]1COc2ccccc2O1 49030329 HQIKVDWPPNNQHW-HRAATJIYSA-N 408.454 3.242 0 40 HGAB Cc1ccc(CNC(=O)NCC(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1 58161720 MNPGYWJRMHXMSQ-UHFFFAOYSA-N 405.502 3.077 0 40 HGAB Cc1cc(SCC(=O)N(C2CC2)[C@H]2CC(O)=NC2=O)c(C)cc1Br 58391906 ATNGOUGCVXPFTI-ZDUSSCGKSA-N 411.321 3.404 0 40 HGAB C[C@@H](C(=O)Nc1cccc(NC(=O)NC[C@H]2Cc3ccccc3O2)c1)n1cccn1 65627157 PSVAFGSUXVEVHH-HNAYVOBHSA-N 405.458 3.208 0 40 HGAB Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NC[C@H]3CCCC[C@@H]3O)c2)cc1 72293725 VUCLTNDDTIWXRI-NQIIRXRSSA-N 416.543 3.101 0 40 HGAB O=C(CCc1ccc(Cl)cc1)N(CCN1CCCS1(=O)=O)c1cccc(F)c1 72309970 ZKRCAJIFQXOYAN-UHFFFAOYSA-N 424.925 3.480 0 40 HGAB COc1ccc(-c2cnc(N)nc2[C@@H]2CCCN(CC(=O)Nc3nccs3)C2)cc1 72345968 RCCMHIMQVHMULS-OAHLLOKOSA-N 424.530 3.009 0 40 HGAB COC(=O)c1ccc(S(=O)(=O)NCCc2csc(-c3ccc(F)cc3)n2)cc1 77200698 YGKVIGBFWCHRQT-UHFFFAOYSA-N 420.487 3.257 0 40 HGAB C[C@H](O)C[C@H](CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)c1ccccc1 79105763 CZYUJOCTJSEQQN-DZGCQCFKSA-N 403.422 3.418 0 40 HGAB Cc1ncc(CN2CCOCC2)c2cc(-c3cc(=O)oc4cc5c(cc34)OCO5)oc12 85876958 DFCXFPBLRFALDW-UHFFFAOYSA-N 420.421 3.471 0 40 HGAB biogenic COc1ccc([C@H](O)[C@H](C)NC(=O)[C@@H](C)Oc2ccccc2Br)cc1 89598515 RLRZGINTRINDLV-VEVIJQCQSA-N 408.292 3.463 0 40 HGAB CN(C(=O)c1ccc(C(F)(F)F)nc1)[C@H](C(N)=O)c1cccc(Br)c1 95462398 WDEVXKMTCOWWNJ-ZDUSSCGKSA-N 416.197 3.162 0 40 HGAB C[C@H](COc1ccc(F)cc1)NC(=O)c1cccc(-c2cnc3[nH]c(=O)n(C)c3c2)c1 95945832 BOMNEHSDVARNQB-CQSZACIVSA-N 420.444 3.265 0 40 HGAB CC(C)(C(=O)NC[C@H]1CN(C(=O)Nc2ccccc2)[C@H]2CCN1C2)c1cccs1 95981216 IIESOOLVBTZTJS-ROUUACIJSA-N 412.559 3.133 0 40 HGAB COc1ccc(C2(C(=O)NC[C@H](O)c3cn(C)c4ccccc34)CCOCC2)cc1 96096473 QNDFYADXDWOCIF-QFIPXVFZSA-N 408.498 3.085 0 40 HGAB Cc1cc(C)c(/C=C/S(=O)(=O)Nc2cccc(C(=O)N3CCOCC3)c2)c(C)c1 96137180 IAGXTQIDLXKIMC-KPKJPENVSA-N 414.527 3.497 0 40 HGAB CCOc1ncc(C2(O)[C@H]3CCC[C@H]2CN(Cc2ccncc2C)C3)c(OCC)n1 100149804 AAWOOHLRDMJSNP-OALUTQOASA-N 412.534 3.097 0 40 HGAB O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)N[C@H]1C[C@@H]2CC[C@@H]1C2 100230785 SSPPYCLCEGWFBF-QINHECLXSA-N 402.491 3.326 0 40 HGAB C[C@H]1C=CC[C@@H]2C(=O)N(c3cccc(C(=O)OCC(=O)c4ccccc4)c3)C(=O)[C@H]12 101229847 RDPWKFNJRACZBB-PAXLWEDBSA-N 403.434 3.428 0 40 HGAB O=C(CCc1nc2ncc(Br)cc2[nH]1)NC[C@H]1CCCN2CCCC[C@H]12 101413518 HDCXFIQASNQSDD-CZUORRHYSA-N 420.355 3.034 0 40 HGAB Cc1cc(C(=O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)c(C)n1Cc1ccc2c(c1)OCO2 102318803 SNFVYUDGJHCYHC-HDICACEKSA-N 420.465 3.016 0 40 HGAB CC(C)Oc1cccc(CNC(=O)CCCN(c2ccccc2F)S(C)(=O)=O)c1 113966368 YKPFNFHIZKAAKZ-UHFFFAOYSA-N 422.522 3.476 0 40 HGAB O=S(=O)(NCC[C@H](CCO)c1ccccc1)c1ccc(Br)s1 206628147 CUUBQXVLQDLFDX-CYBMUJFWSA-N 404.351 3.345 0 40 HGAB CC[C@@H](C(=O)Nc1nnc(SC)s1)N(c1cc(C)ccc1C)S(C)(=O)=O 222972395 WAKADDDTHKXGKQ-LBPRGKRZSA-N 414.578 3.060 0 40 HGAB COc1ccc(S(=O)(=O)N[C@@H](C)c2ccc3c(c2)CCC3)cc1C(=O)NC(C)C 223203890 MPCBDUJWMCPLTP-HNNXBMFYSA-N 416.543 3.362 0 40 HGAB COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NCCc2ccccc2)cc1OC 224450040 GXYHNMOANWQKCI-SILNSSARSA-N 420.465 3.427 0 40 HGAB COc1cccc(C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCCC3)c2)c1OC 225048677 VUQBHTHUQJHEEC-UHFFFAOYSA-N 404.488 3.049 0 40 HGAB Cc1cc(NC(=O)[C@H](C)Oc2nn(-c3ccccc3)cc2Br)n(C)n1 227159758 IUJHXBNRNCFNKX-LBPRGKRZSA-N 404.268 3.083 0 40 HGAB COc1ccc2c(c1)O[C@]1(C[C@H]3CC[C@H]1C[C@@H]3C(=O)NCc1ccc(F)cc1)NC2=O 247954724 NNELNDWZICFSLK-ONKLLMOWSA-N 424.472 3.405 0 40 HGAB Cc1cc(C)n([C@H](C)CC(=O)N[C@H]2C[C@]3(CCC(=O)N(C)CC3)Oc3ccccc32)n1 248116423 IQXWRLJHNTVTPX-LJFZDNNRSA-N 424.545 3.472 0 40 HGAB Cc1ncc(-c2ccccn2)c([C@H]2CC[C@H](CNC(=O)c3ccc(=O)n(C)c3)CC2)n1 257223842 DZDMNCWUKVKKEZ-IYARVYRRSA-N 417.513 3.250 0 40 HGAB O=C(CC1(O)CCCCC1)N1CCO[C@H](c2ccc(Nc3ccc(F)cn3)cn2)C1 257316371 VFHRKZYBEMPOJU-IBGZPJMESA-N 414.481 3.345 0 40 HGAB CN1C[C@@H](C(=O)N(C)Cc2ccccc2)OC2(CCN(Cc3ccsc3)CC2)C1 306142884 XNEVTIWUYVHCAQ-NRFANRHFSA-N 413.587 3.072 0 40 HGAB CCOc1ccc(CNC(=O)c2ccccc2NC(=O)[C@H]2CC(=O)N(C(C)C)C2)cc1 408615840 SVMUIEGUMVQTSP-SFHVURJKSA-N 423.513 3.211 0 40 HGAB COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC[C@H](C(=O)NCc2ccco2)C1 408700986 PQDPEDIAHSNRQH-KRWDZBQOSA-N 420.531 3.129 0 40 HGAB Cc1ccc(C)c(C(=O)NC[C@@H]2CC(=O)N(C)[C@H]2c2cnn(Cc3ccccc3)c2)c1 508659309 GEARCUCDDUDCKD-GBXCKJPGSA-N 416.525 3.498 0 40 HGAB CC(=O)N1CCCC[C@H]2N(CC3(O)CCN(c4ccc(F)cc4)CC3)CCC[C@@]21C 585262950 QZKXDGBLPHYJQY-PKTZIBPZSA-N 417.569 3.413 0 40 HGAB Cc1cccnc1Nc1cnc(CC2CCN(C(=O)/C=C/c3ccco3)CC2)cn1 585292392 LQFHRHRTBMSART-VOTSOKGWSA-N 403.486 4.011 0 40 HGAB CN([C@@H]1CCN(c2ccccc2Cl)C1=O)S(=O)(=O)c1cccc2cnccc12 600779083 NLDRRYLVINDQEH-GOSISDBHSA-N 415.902 3.314 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCC(COc3cc4c(nn3)CCCC4)CC2)cc1 1775969906 REWNOGKEUHFJCY-UHFFFAOYSA-N 401.532 3.144 0 40 HGAB COCCCN1CCC[C@]2(CCCN(S(=O)(=O)c3ccc4ncsc4c3)C2)C1 2056223334 GMUKOYCEBAZYJK-FQEVSTJZSA-N 423.604 3.200 0 40 HGAB Cc1cccc(-n2c(Cc3ccccc3)nnc2SCC(=O)N2CCOCC2)c1 664306 ZEZDLKFPPBVPSW-UHFFFAOYSA-N 408.527 3.117 0 40 HGAB CN(C)C(=O)Cn1c(SCC(=O)N2CCCc3ccccc32)nc2ccccc21 1340236 WSOVYROFPSYFKN-UHFFFAOYSA-N 408.527 3.196 0 40 HGAB COc1cccc(CN(Cc2cccnc2)C(=O)CN2C(=O)COc3ccccc32)c1 1361655 VUWSXRCCCUVHCN-UHFFFAOYSA-N 417.465 3.045 0 40 HGAB CCCCc1cc(=O)oc2c(C)c(OCC(=O)N[C@H](C(=O)O)[C@@H](C)CC)ccc12 2102780 AVZBBCQYLVZZEX-RBZFPXEDSA-N 403.475 3.438 0 40 HGAB biogenic CCOC(=O)[C@](NC(=O)c1cccnc1)(Nc1cccc(Cl)c1)C(F)(F)F 2256995 JAIMCKOJJYZFAX-MRXNPFEDSA-N 401.772 3.399 0 40 HGAB COc1ccc2[nH]c3c(N4CCN(Cc5ccc6c(c5)OCO6)CC4)ncnc3c2c1 2289557 BUJMARNUHWUJTD-UHFFFAOYSA-N 417.469 3.171 0 40 HGAB NC(=O)CSc1nc2ccc(N3CCCCC3)cc2c(=O)n1Cc1ccccc1 2974166 HNGCPGPYMDPUMF-UHFFFAOYSA-N 408.527 3.013 0 40 HGAB C[C@@H]1CCC[C@@H](C)N1C(=O)COC(=O)c1ccccc1I 3232873 BMGLHRGBDWXMMG-VXGBXAGGSA-N 401.244 3.238 0 40 HGAB CCc1ccc(NC(=O)[C@@H](C)OC(=O)Cc2cc(OC)c(OC)c(OC)c2)cc1 3271116 YYHNQDTYLGFHFW-CQSZACIVSA-N 401.459 3.388 0 40 HGAB C[C@H](C(=O)OCC(=O)Nc1ccc(C(C)(C)C)cc1)N1C(=O)c2ccccc2C1=O 3337718 ASROIXORQAADKM-CQSZACIVSA-N 408.454 3.151 0 40 HGAB C[C@@H](NC(=O)CSc1nnc(-c2ccc(OC(F)F)cc2)n1N)c1ccccc1 3442922 KTPBKJATGGMRDS-GFCCVEGCSA-N 419.457 3.230 0 40 HGAB Cc1ccccc1-n1c(SCC(=O)NC(=O)NC(C)(C)C)nnc1-c1cccnc1 3536644 WLBDHYIRROHRKW-UHFFFAOYSA-N 424.530 3.354 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)Nc2cccc(Cl)c2C)cc1 3564308 CJTHNKJIRKJYQA-UHFFFAOYSA-N 416.952 3.480 0 40 HGAB C[C@H]1CCN(C(=O)CN2C(=O)N[C@@]3(CCCC[C@@H]3C)C2=O)c2ccccc2S1 4514803 GGFKATDCBPMOHP-VFCRVFHLSA-N 401.532 3.405 0 40 HGAB Cc1cc(NC(=O)CSc2nc3ccsc3c(=O)n2Cc2ccccc2)[nH]n1 4659198 QYQURXBDYOVWBK-UHFFFAOYSA-N 411.512 3.269 0 40 HGAB COc1ccc(NC(=O)C2=C(C)Nc3nnnn3[C@@H]2c2ccc(SC)cc2)cc1 4770170 QQLJCBJFVVAJKO-GOSISDBHSA-N 408.487 3.331 0 40 HGAB CCCCNC(=O)CSc1nnc2c3cc(Br)ccc3n(C)c2n1 4856429 YUBRBHDNZYCBGZ-UHFFFAOYSA-N 408.325 3.287 0 40 HGAB COc1cccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)c2csnn2)C2CC2)c1 4965052 IGYDKZDJCNLGHU-IBGZPJMESA-N 414.531 3.342 0 40 HGAB COc1ccc(-c2nnc(SCC(=O)NCc3ccc(F)cc3)o2)cc1OC 5019113 QEHWQELVBFDRDB-UHFFFAOYSA-N 403.435 3.301 0 40 HGAB Cc1ccc(-n2nnc3c(=O)n(Cc4ccc(Br)cc4)cnc32)cc1C 5057209 XNDFDCFTAPHFPB-UHFFFAOYSA-N 410.275 3.405 0 40 HGAB COc1ccccc1N1C[C@@H](C(=O)OCC(=O)Nc2cccc(Cl)c2C)CC1=O 5192012 YBOZKLUJOQOWGM-AWEZNQCLSA-N 416.861 3.192 0 40 HGAB CC(C)CCC[C@H](C)n1c(S[C@H](C)C(=O)NC(N)=O)nc2ccccc2c1=O 6164712 BHHKKRVVXWNAOD-UONOGXRCSA-N 404.536 3.459 0 40 HGAB Cc1ccc(NC(=O)CSc2nnc(N3CCOCC3)n2-c2ccccc2)cc1C 6831084 ABKQFUKSWNZPNL-UHFFFAOYSA-N 423.542 3.452 0 40 HGAB O=C1CCCN1Cc1ccc(C(=O)N2CCC(C(=O)N3CCCCCC3)CC2)cc1 6987494 RUISWBXVFWJAAW-UHFFFAOYSA-N 411.546 3.064 0 40 HGAB COc1ccc(Br)cc1CN(C)C(=O)[C@H]1CC(=O)N(C2CCCC2)C1 7784435 FVPNUXCWXXDNNJ-AWEZNQCLSA-N 409.324 3.207 0 40 HGAB COC(=O)CN1C(=O)S/C(=C/c2ccc(OCCOc3ccccc3)cc2)C1=O 8092038 IDGXAQASYZYUGE-QGOAFFKASA-N 413.451 3.354 0 40 HGAB Cc1ccc(NC(=O)COc2ccc(N3C[C@@H](C(=O)O)CC3=O)cc2)cc1Cl 8732527 OOGWUKXAHMTVNH-ZDUSSCGKSA-N 402.834 3.103 0 40 HGAB O=c1c([C@@H]2NCCc3c2[nH]c2ccccc32)c(O)nc(O)n1CCC1=CCCCC1 8742612 QVNIXGQJSFDVFX-FQEVSTJZSA-N 406.486 3.261 0 40 HGAB biogenic O=C(c1cn(Cc2ccc(F)cc2)nc1OCc1ccc(F)cc1)N1CCOCC1 9100836 LLTCNXIFRMDDGH-UHFFFAOYSA-N 413.424 3.261 0 40 HGAB O=C(CNc1cc(Cl)ccc1N1CCOCC1)Nc1ccc2c(c1)OCCCO2 9117771 YPVFIVKBSYUMJF-UHFFFAOYSA-N 417.893 3.389 0 40 HGAB COCCCn1cc(C(=O)Nc2cc(C)ccn2)c2nn(-c3ccccc3)c(=O)c-2c1 9574164 KCFIOJLMQMYNDC-UHFFFAOYSA-N 417.469 3.131 0 40 HGAB COc1ccc(-c2nc3n(n2)[C@@H](C(=O)Nc2ccc(C)cc2Cl)CC(=O)N3)cc1 10153497 JUCHCWSZFGIEQJ-MRXNPFEDSA-N 411.849 3.438 0 40 HGAB COc1ccccc1[C@H]1c2c(-c3ccc(Cl)cc3)nnc(O)c2Nc2nnnn21 10232686 HRFRMMCTXXXXND-KRWDZBQOSA-N 407.821 3.192 0 40 HGAB COc1ccc(-c2cn(-c3ccccc3)nc2C(=O)N2CCO[C@H](C)C2)cc1OC 10670535 WMCXRGGLDYQWTO-MRXNPFEDSA-N 407.470 3.417 0 40 HGAB O=C(NCCn1ncc2c(N3CCCCC3)ncnc21)c1cccc(C(F)(F)F)c1 11665958 OCDSWXXYJXJOGY-UHFFFAOYSA-N 418.423 3.265 0 40 HGAB Cc1cccc(-n2ncc3c(O)nc(-n4nc(C)cc4NC(=O)CC(C)C)nc32)c1 11695377 LWSUKCYGKKDCER-UHFFFAOYSA-N 405.462 3.308 0 40 HGAB Cc1noc(C)c1CCC(=O)N[C@@H](Cn1nc(-c2cccs2)ccc1=O)C(C)C 12185564 QFAXTEVJWFTPBK-SFHVURJKSA-N 414.531 3.350 0 40 HGAB COc1ccc2c(c1)cc(C(=O)N[C@H](C(=O)Nc1ncc(C)s1)C(C)C)n2C 12324706 YAAJGDJVSWGISX-KRWDZBQOSA-N 400.504 3.345 0 40 HGAB Cc1cc(C)n2nc(Sc3ccc(S(=O)(=O)N(C(C)C)C(C)C)cn3)nc2n1 12563848 DEDVJLQBWHWZDJ-UHFFFAOYSA-N 420.564 3.095 0 40 HGAB O=C(CN1CCC(C(=O)NCc2ccccc2)CC1)Nc1ccc(Cl)cc1F 12648204 SPEPNJASAPBDQB-UHFFFAOYSA-N 403.885 3.446 0 40 HGAB Cc1ccc(-c2noc(CN(C(=O)CN3C(=O)c4ccccc4C3=O)C(C)C)n2)cc1 12653963 UYOFYZWCPAGALW-UHFFFAOYSA-N 418.453 3.078 0 40 HGAB Cc1cc(C)c(NC(=O)CNC(=O)[C@@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)c(C)c1 12945649 TVBLNXSUHKFQCM-AZUAARDMSA-N 407.514 3.276 0 40 HGAB CCOC(=O)c1ccccc1NC(=O)[C@H](CC)N(c1ccc(C)cc1)S(C)(=O)=O 13713139 FGLJRHXTWQLOBZ-IBGZPJMESA-N 418.515 3.355 0 40 HGAB Cc1cc(OC[C@@H](O)CN2CCN(c3ncccn3)CC2)c(C(C)C)cc1Cl 14200872 IWVFAOAZTMZXLR-KRWDZBQOSA-N 404.942 3.124 0 40 HGAB COc1ccc(C2=NO[C@@H]3C(=O)N(c4ccc(Cl)cc4Cl)C(=O)[C@@H]23)c(OC)c1 16007635 BLVGVUYRANKNAF-RDJZCZTQSA-N 421.236 3.303 0 40 HGAB COc1ccc(C(=O)NC(=S)Nn2c(C)nnc2SCc2ccccc2)cc1 16363398 ZLFXJMWEZYMWCV-UHFFFAOYSA-N 413.528 3.146 0 40 HGAB COc1ccccc1NC(=O)Cc1noc(CN(C)CCOc2ccc(C)cc2)n1 16421983 MOVPVUACYFACQH-UHFFFAOYSA-N 410.474 3.079 0 40 HGAB CC(C)N1CCc2nc3cc([C@@H]4CCCCN4C(=O)C4CCCC4)nn3c(O)c2C1 19448045 TTXZVKFYQZFYOY-FQEVSTJZSA-N 411.550 3.445 0 40 HGAB CC(C)OC[C@H](O)CN1CCN(Cc2c(-c3cccs3)[nH]c3ncccc23)CC1 19450400 UJEHQMZRGYUMAO-QGZVFWFLSA-N 414.575 3.195 0 40 HGAB C[C@H](CN1CCOCC1)C(=O)N[C@@H](CCc1ccccc1)c1ccc2c(c1)OCCO2 19456282 SVCOQXYWYFMBTM-KNQAVFIVSA-N 424.541 3.216 0 40 HGAB C[C@@H](Cc1ccc2c(c1)OCO2)CN1CCc2c(O)nc(-c3cccnc3)nc2C1 19456861 XBLDRCBQFVXQNY-HNNXBMFYSA-N 404.470 3.210 0 40 HGAB CC[C@@H]1C[C@H](C(F)(F)F)n2nc(C(=O)NC[C@@H](C)N3CCC(C)CC3)cc2N1 19520591 NXZPXSZEBFGIOW-IIAWOOMASA-N 401.477 3.431 0 40 HGAB CN(Cc1nc([C@H]2CCCNC2)cc(N(C)C)n1)C(=O)CCc1cccc(Cl)c1 19710034 YOKXPQQGSDKMJV-KRWDZBQOSA-N 415.969 3.254 0 40 HGAB Cc1c(-c2cc(C(=O)NC[C@H](C(C)C)N3CCOCC3)c3ccccc3n2)cnn1C 19716485 ZGLIAIBOSXAJRB-HSZRJFAPSA-N 421.545 3.030 0 40 HGAB C[C@@H](c1cc(=O)[nH]c(N[C@H]2CCOc3ccccc32)n1)n1ncc2ccccc2c1=O 19717485 DVTBVCXVVQGGKE-KSSFIOAISA-N 415.453 3.025 0 40 HGAB COc1ccccc1N1CCN([C@@H](c2cccs2)c2nnnn2C(C)(C)C)CC1 20098593 RELPIFSFXQOPMM-IBGZPJMESA-N 412.563 3.410 0 40 HGAB Cn1cccc1[C@@H](CNS(=O)(=O)c1ccc(F)cc1)N1CCc2ccccc2C1 21153474 KCWYCHDWCSYFHK-JOCHJYFZSA-N 413.518 3.242 0 40 HGAB CCS(=O)(=O)N1CCCc2cc(NC(=O)NCCc3ccc(OC)cc3)ccc21 22505186 NKKXZLLIOSQULK-UHFFFAOYSA-N 417.531 3.162 0 40 HGAB O=C(NCc1ccc(OCC(F)(F)F)cc1)[C@@H]1CCCN(C(=O)c2ccco2)C1 22509486 LPGMGBYQFABFQP-OAHLLOKOSA-N 410.392 3.389 0 40 HGAB Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1cccs1)N(CCN1CCOCC1)C3=O 22610885 NQIKBEFWWJTRFR-LJQANCHMSA-N 410.495 3.040 0 40 HGAB COc1ccc(CCS(=O)(=O)NCC2CCN(Cc3cccs3)CC2)cc1 23127739 WSYCNCNKXRWBFK-UHFFFAOYSA-N 408.589 3.131 0 40 HGAB COc1ccc(/C=C/C(=O)N2CCN(Cc3nc(-c4ccc(C)cc4)no3)CC2)cc1 24759368 OLHYDRQADHXIBF-KPKJPENVSA-N 418.497 3.411 0 40 HGAB O=C(CSc1nnnn1-c1ccccc1)Nc1ccccc1OCC(F)(F)F 25058266 WMOPCOMLNSIWPQ-UHFFFAOYSA-N 409.393 3.334 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(NC2CCN(Cc3ccccc3)CC2)nc1 25436620 MHIYIOCEGBYEOT-UHFFFAOYSA-N 402.564 3.189 0 40 HGAB COc1ccc(-c2noc(COC(=O)CCC(=O)c3ccc4c(c3)OCCO4)n2)cc1 32560430 KYHSTZRILWWOTL-UHFFFAOYSA-N 424.409 3.223 0 40 HGAB CCOc1ccc(C(=O)NCCN2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 32809974 DVWUFENRPMGDFV-UHFFFAOYSA-N 422.451 3.051 0 40 HGAB O=S(=O)(CCn1nnc2ccccc21)N[C@@H](c1ccc(F)cc1)C1CCCC1 32935766 ZGNPHDVOCDLIRL-HXUWFJFHSA-N 402.495 3.421 0 40 HGAB COc1cc(OC)cc(C(=O)N2CCC(C(=O)Oc3ccc(C(C)=O)cc3)CC2)c1 40128203 ZTQLGPOJAHMHKJ-UHFFFAOYSA-N 411.454 3.364 0 40 HGAB CN(Cc1ccccc1)C(=O)N1CCN(C(=O)c2cncn2-c2ccc(F)cc2)CC1 40135134 NLHKEYQZDDWZJD-UHFFFAOYSA-N 421.476 3.021 0 40 HGAB C[C@@H](SCc1ccccc1)C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1O 40144809 WGJCNGKTRLJNMZ-OAHLLOKOSA-N 420.556 3.437 0 40 HGAB Cc1ccc(NC(=O)CN2C(=O)CN(c3ccccc3)C2=O)c(Br)c1 40146096 ICTPMZZFNDRHBJ-UHFFFAOYSA-N 402.248 3.165 0 40 HGAB CCc1nn2c(nnc3c(=O)n([C@H](C(=O)O)C(C)C)ccc32)c1-c1ccc(F)cc1 40391724 VZBOVXMOMCRJHW-SFHVURJKSA-N 409.421 3.089 0 40 HGAB Cc1cc(C)cc(NC(=O)[C@H]2CC(=O)Nc3nc(Nc4ccccc4)[nH]c(=O)c32)c1 40399170 FSCIQGVRGQJIOL-INIZCTEOSA-N 403.442 3.195 0 40 HGAB O=C(NCc1ccc(-n2cncn2)nc1)Nc1cccc(COC[C@H]2CCCCO2)c1 48302452 JDAVHBUKHPMBGC-HXUWFJFHSA-N 422.489 3.070 0 40 HGAB CN(C)C1(CNC(=O)c2cccc(CS(=O)(=O)c3ccccc3)c2)CCCC1 56530350 YBDWHMBOXSXDCE-UHFFFAOYSA-N 400.544 3.265 0 40 HGAB CCS(=O)(=O)c1ccccc1C(=O)NC1CCN(Cc2cccc(C)c2)CC1 57646683 SKUSMGQBKVYPLJ-UHFFFAOYSA-N 400.544 3.183 0 40 HGAB CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)c2sc(C(C)(C)C)nc2C)C1=O 58429286 SFQRLDXGYQHXSL-FQEVSTJZSA-N 400.504 3.251 0 40 HGAB C[C@@H](C(=O)NCc1ccc(CN2CCOCC2)cc1)N1CCC[C@@H]1c1ccsc1 65609775 FLAOMGQMEJREFG-PGRDOPGGSA-N 413.587 3.422 0 40 HGAB CN(C)CCN(C)c1nc(-c2ccccn2)nc2c1CCN(Cc1ccc(F)cc1)C2 72337491 ITYIIMSULLMBHN-UHFFFAOYSA-N 420.536 3.234 0 40 HGAB Cn1nc(C(=O)N2CCC[C@@H](c3cccc(Cc4ccc(Cl)cc4)n3)C2)ccc1=O 72350073 UJSHGNZUHHKFEA-QGZVFWFLSA-N 422.916 3.439 0 40 HGAB Cc1nc2c(c(Nc3ncc(C)s3)n1)CCN(S(=O)(=O)c1ccccc1)C2 72380777 QQOYBNPVMOUQAE-UHFFFAOYSA-N 401.517 3.041 0 40 HGAB COCC(=O)N1CCC[C@](Cc2cccc(-c3cccc(F)c3)c2)(C(=O)N(C)C)C1 72391551 DQDDQCHHPBBHGN-XMMPIXPASA-N 412.505 3.379 0 40 HGAB CCc1cc(=O)oc2cc(C)cc(OCC(=O)NC[C@@H]3CCCN4CCCC[C@H]34)c12 79188814 ZGEOFWSOSHNWQY-RBUKOAKNSA-N 412.530 3.423 0 40 HGAB biogenic C[C@@H](NC(=O)CN1C(=O)N[C@](C)(c2ccccc2)C1=O)c1ccc2ccccc2c1 89905126 AUHCPOMPVWDQQI-VOIUYBSRSA-N 401.466 3.484 0 40 HGAB COc1cc(C(=O)Nc2ccc(C(=O)N3CCC(CO)CC3)cc2)cc(OC)c1C 95393499 NJUJFGITHDTEEF-UHFFFAOYSA-N 412.486 3.109 0 40 HGAB COC(=O)c1cc(NC(=S)N2C[C@@H]3C[C@@H](C2)c2cccc(=O)n2C3)ccc1Cl 100199717 DPFBLCUYQQWZOC-STQMWFEESA-N 417.918 3.104 0 40 HGAB C[C@@H](C(=O)NCc1ccccn1)N(Cc1ccc(F)cc1)C(=O)COc1ccccc1 222929408 WKTRDCUZPRHCIE-SFHVURJKSA-N 421.472 3.333 0 40 HGAB Cc1cccc(N(CC(=O)N[C@@H](C)c2ccc3c(c2)CCC3)S(C)(=O)=O)c1C 223171114 TVDJLTXVFYKRJF-KRWDZBQOSA-N 400.544 3.436 0 40 HGAB CC[C@H](C(=O)NC)N(CCc1ccccc1)C(=O)CCCOc1ccc(OC)cc1 223488722 DSSQJWLLWKDKFM-JOCHJYFZSA-N 412.530 3.450 0 40 HGAB CCCCNC(=O)c1ccccc1NS(=O)(=O)c1cc(C(=O)OC)ccc1Cl 223841919 MLNUYVZTPZUPEB-UHFFFAOYSA-N 424.906 3.457 0 40 HGAB CCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CSCc1ccccc1 224009488 SMDOXEWKEWWHDG-QGZVFWFLSA-N 400.544 3.482 0 40 HGAB Cc1ccc(C(=O)NCCN2C[C@H](C)C[C@@H](C)C2)c(I)c1 225028005 KMXVAALSWALYKU-ZIAGYGMSSA-N 400.304 3.307 0 40 HGAB Cc1ccc([C@@H](C)NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)cc1 225534955 YZBCYKQWLQMVDA-SJLPKXTDSA-N 404.507 3.412 0 40 HGAB CCOCCCNC(=O)C(C)(C)Oc1nn(-c2ccccc2)cc1Br 227159382 MVFGDJLULYBRSP-UHFFFAOYSA-N 410.312 3.335 0 40 HGAB CC1(C)CN(C(=O)NCc2ccccc2)C[C@@H]2CN(C(=O)C3CCCCC3)CCN21 253404975 ROWYIZYLVXPIBC-NRFANRHFSA-N 412.578 3.084 0 40 HGAB biogenic,in-vitro CN(CC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3N[C@H]2Cc1ccccc1)Cc1cccnc1 257226147 FJHYKTVSQXBCNG-TYUWDEHNSA-N 418.585 3.256 0 40 HGAB Cc1cc(-c2nccn2C)nc([C@@H]2CCCN(C(=O)c3n[nH]c4ccccc34)C2)n1 257230144 GAZSPOJANAKLBF-OAHLLOKOSA-N 401.474 3.082 0 40 HGAB COc1ccc(Cc2cnc([C@H]3CCCN(C(=O)COc4cccnc4)C3)o2)cc1 257234623 GUKFSTSORBTHPY-SFHVURJKSA-N 407.470 3.454 0 40 HGAB CCc1ccc([C@@H](C)NC(=O)[C@H](C)N(c2cccc(OC)c2)S(C)(=O)=O)cc1 260772961 XVEXZWHFRZUXTQ-CVEARBPZSA-N 404.532 3.290 0 40 HGAB COc1ccc(NC(=O)c2nnc3n2C[C@H]2CN(Cc4cccc(C)c4)C[C@@H]2C3)cc1 306128029 GOFMJAADXKARMN-RBUKOAKNSA-N 417.513 3.152 0 40 HGAB CC(C)n1cnc([C@H]2CN(Cc3ccoc3)C[C@]23CCN(Cc2cccnc2)C3=O)c1 306139500 SYUOOOSTIYWNKI-ZJSXRUAMSA-N 419.529 3.470 0 40 HGAB CS(=O)(=O)N(CC(=O)Nc1ccc(F)cc1F)c1cccc(Br)c1 409029230 XBCXIUHKANTOEG-UHFFFAOYSA-N 419.247 3.132 0 40 HGAB CCN(CC)C(=O)CN1C(=O)S/C(=C\c2cc(Cl)c(OC)cc2OC)C1=O 409202419 QKQYXADHPQVLTF-NVNXTCNLSA-N 412.895 3.262 0 40 HGAB CCN(CC)C(=O)CN1C(=O)S/C(=C\c2cc(OC)c(OC)cc2Cl)C1=O 409208387 FQOWTOSEDWZNFZ-NVNXTCNLSA-N 412.895 3.262 0 40 HGAB COC(=O)c1ccc(Cl)c(NC(=O)CN(c2ccc(C)cc2C)S(C)(=O)=O)c1 409267613 OPGRZODRCXCMQS-UHFFFAOYSA-N 424.906 3.148 0 40 HGAB Cc1ccccc1C1(C(=O)N[C@@H]2CCCN(c3ccccc3F)C2=O)CCOCC1 536472795 LFVXTIRDFIBJJE-HXUWFJFHSA-N 410.489 3.494 0 40 HGAB COc1cc(OC)cc(N2CC[C@H](N(C)c3nc(C)cc(C(F)(F)F)n3)C2=O)c1 543434152 IZNYJZBUXXKSAT-HNNXBMFYSA-N 410.396 3.063 0 40 HGAB CN1CCN(CC2CCN(Cc3nc4cc(C(F)(F)F)ccc4n3C)CC2)CC1 565601865 BASJRYMIGBOKDA-UHFFFAOYSA-N 409.500 3.052 0 40 HGAB CC(=O)Nc1cccc(-c2cnc3n2CCN(C(=O)c2ccc(N(C)C)cc2)CC3)c1 585111344 PKDDWUGAMGEZCI-UHFFFAOYSA-N 417.513 3.273 0 40 HGAB O=C1CCC(=O)N1c1ccc(S(=O)(=O)NCc2ccc(-c3ccoc3)cc2)cc1 618255281 ANNSDTQWAIRWOO-UHFFFAOYSA-N 410.451 3.079 0 40 HGAB O=C(COc1ccccn1)N1CCOCCOc2ccccc2Oc2ncccc2C1 643573479 GBISAJALHBUCBU-UHFFFAOYSA-N 421.453 3.086 0 40 HGAB CS(=O)(=O)N1CCC(c2nnc3sc(/C=C/c4ccc(Cl)cc4)nn23)CC1 1501040236 HOQCKIDGXDPESJ-QPJJXVBHSA-N 423.951 3.149 0 40 HGAB C[C@H](NC(=O)OC(C)(C)C)c1nnc(S(=O)(=O)Cc2ccc(Cl)cc2)o1 2422981 JPQAQNNEIFKPRM-JTQLQIEISA-N 401.872 3.283 0 40 HGAB COc1ccccc1C(=O)Nc1ccc(OCC(=O)Nc2ccc(C(N)=O)cc2)cc1 3358024 DSBHIQCQSKAEQA-UHFFFAOYSA-N 419.437 3.064 0 40 HGAB COc1cc(C(=O)O[C@@H](C)C(=O)NC(=O)NC2CCCCC2)ccc1OC(F)F 4370260 JIKYPGDOGGYWJS-NSHDSACASA-N 414.405 3.000 0 40 HGAB Cc1ccc([C@@H](C(=O)NCc2ccc(F)cc2)N(C(=O)c2csnn2)C2CC2)o1 4411609 VJBIGPZFKNZMHK-SFHVURJKSA-N 414.462 3.241 0 40 HGAB C[C@@]1(c2ccccc2Cl)NC(=O)N(CC(=O)NC23CC4CC(CC(C4)C2)C3)C1=O 4477853 YJTIVZCBRHLNJZ-KPCCXISESA-N 415.921 3.192 0 40 HGAB O=C1CC2(CCN(C(=O)[C@@H]3CC(=O)N(c4ccc(F)cc4)C3)CC2)Oc2ccccc21 4505645 XFYVBHYJDBKUTB-MRXNPFEDSA-N 422.456 3.205 0 40 HGAB CCN1C(=O)[C@](O)(CC(=O)c2ccc(OC)cc2)c2cc(Br)ccc21 4555015 FROLZKJKBHSVCO-IBGZPJMESA-N 404.260 3.285 0 40 HGAB CCN(CC)C1=N[C@@](C(=O)OC)(C(F)(F)F)N=C2Sc3cccc(C)c3N21 4623344 XTYVRGUZWAGBGC-MRXNPFEDSA-N 400.426 3.406 0 40 HGAB COCCn1c(SCC(=O)Nc2ccc(C(C)=O)cc2)nnc1-c1ccoc1C 4860597 RAVPKESRZNAEJD-UHFFFAOYSA-N 414.487 3.426 0 40 HGAB Cc1occc1-c1nnc(SCC(=O)NCc2ccco2)n1C[C@H]1CCCO1 4860671 DRXAVBSBDAWSRX-OAHLLOKOSA-N 402.476 3.027 0 40 HGAB CCc1cc(=O)oc2c(C)c(O[C@H](C)C(=O)N[C@@H](C(=O)O)c3ccccc3)ccc12 6359088 YJFDFURMBSVLEB-JLTOFOAXSA-N 409.438 3.373 0 40 HGAB biogenic O=C(/C=C/c1ccc2ccccc2n1)OCC(=O)N1CCN(c2ccccc2)CC1 6558223 DGUHWZQBUHAODO-OUKQBFOZSA-N 401.466 3.140 0 40 HGAB Cn1c(COc2ccc(Cl)cc2)nnc1SCN1C(=O)c2ccccc2C1=O 6587880 GQXOXYFYWRNURC-UHFFFAOYSA-N 414.874 3.393 0 40 HGAB CS(=O)(=O)c1ccccc1NC(=O)CN1CCC[C@H]1c1nc2ccccc2s1 7360040 ZEBVZFMRVMBGAH-INIZCTEOSA-N 415.540 3.475 0 40 HGAB CC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)cc1 8039950 MOGNBOXFAXGURM-OAHLLOKOSA-N 414.845 3.077 0 40 HGAB O=C(CSc1nnc(Cc2cccs2)n1-c1ccccc1)NC[C@@H]1CCCO1 8165057 PHDSUOHDWMOQAQ-INIZCTEOSA-N 414.556 3.307 0 40 HGAB O=C(Nc1ccc(S(=O)(=O)NCc2ccco2)cc1)c1cc(-c2ccccc2)[nH]n1 8720058 XRJGYJJWXFDOCI-UHFFFAOYSA-N 422.466 3.401 0 40 HGAB CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)O)c2cc(Cl)ccc2Cl)cc1 8729428 QYGPRPRKFJRFHH-UHFFFAOYSA-N 417.270 3.232 0 40 HGAB COc1ccc(-c2nc(CC(=O)NCc3ccc4c(c3)OCO4)cs2)cc1OC 9306089 FTJWVAHKUJAWBB-UHFFFAOYSA-N 412.467 3.415 0 40 HGAB Cc1cc(=O)c(C(=O)Nc2ccc(N3CCOCC3)cc2)nn1-c1ccccc1Cl 9515622 GKLZGTJRKKEQSY-UHFFFAOYSA-N 424.888 3.283 0 40 HGAB Cc1ccc(S(=O)(=O)Nc2cccc(-c3ccc(N4CCOCC4)nn3)c2)cc1C 9529568 MFBDQLSILNXIDB-UHFFFAOYSA-N 424.526 3.398 0 40 HGAB O=C(CN1C(=O)COc2ccccc21)N(C[C@H]1CCCO1)c1nc2ccccc2s1 10021116 BVEJZECSRIYAAR-OAHLLOKOSA-N 423.494 3.234 0 40 HGAB CS(=O)(=O)c1ccc(NC(=O)COc2ccccc2C(=O)Nc2ccccc2)cc1 10255568 FAFLIAMZJJJQQW-UHFFFAOYSA-N 424.478 3.360 0 40 HGAB O=C(NC1CCN(C(=O)c2cc(Cl)c3c(c2)OCCO3)CC1)c1ccccc1 10781780 DCBMLEDDXLONSL-UHFFFAOYSA-N 400.862 3.146 0 40 HGAB CCOc1ccc([C@@H](C)NC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)cc1 11170310 QUPOBDRGDMKNMP-OAHLLOKOSA-N 422.572 3.425 0 40 HGAB O=C(CN1CCC(O)(c2ccccn2)CC1)Nc1ccccc1N1CCCCCC1 12114543 BYYXMTHXVQKXBJ-UHFFFAOYSA-N 408.546 3.384 0 40 HGAB Cc1cccnc1[C@H](Cc1ccsc1)NS(=O)(=O)c1ccc2c(c1)OCCO2 12229647 NBTMPTLPNMNDHR-KRWDZBQOSA-N 416.524 3.485 0 40 HGAB O=C(Cc1cnc(-c2c(Cl)cccc2Cl)s1)N[C@H]1C=CS(=O)(=O)C1 12391052 VSWBIVDZNNLCQQ-VIFPVBQESA-N 403.312 3.086 0 40 HGAB O=C(c1cccs1)N1CCC[C@H](C(=O)N2CCN(c3ccccc3F)CC2)C1 12545000 QINQGKHVRBLSQS-INIZCTEOSA-N 401.507 3.088 0 40 HGAB COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CCCc1c[nH]c2ccccc12 12761978 OQIFIWBJTJVOTF-UHFFFAOYSA-N 418.497 3.402 0 40 HGAB CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)C2(c3ccc(F)cc3)CC2)c1 12910955 FYWJEDASPPZVFE-UHFFFAOYSA-N 406.479 3.232 0 40 HGAB COc1ccc([C@H](C)NC(=O)[C@@H]2CC(=O)N(c3ccc(OC)c(OC)c3)C2)cc1F 12935646 RQKRMDNHAZZXPL-DZGCQCFKSA-N 416.449 3.082 0 40 HGAB COc1cc(CCC(=O)C[C@H](O)CCc2cc(OC)c(O)c(OC)c2)ccc1O 13377924 CAQJIHGGUCTKHW-QGZVFWFLSA-N 404.459 3.009 0 40 HGAB biogenic,in-vitro CCc1ccc(N(CC(=O)NCCSCc2ccccc2F)S(C)(=O)=O)cc1 13669758 YRSODQNCJQONRX-UHFFFAOYSA-N 424.563 3.204 0 40 HGAB Cc1ccc(NC(=O)[C@H](CC(C)C)NC2=NS(=O)(=O)c3ccccc32)cc1F 14169955 BERPOGVKMLCAJB-KRWDZBQOSA-N 403.479 3.226 0 40 HGAB COc1ccc(C(=O)Nc2ccccc2C(=O)NCc2cccnc2)c(OC)c1OC 15082862 NZDDNGBTPSHEOA-UHFFFAOYSA-N 421.453 3.290 0 40 HGAB C[C@H]1CCC[C@H](C)N1S(=O)(=O)c1ccc(NC(=S)NC[C@@H]2CCCO2)cc1 17089020 RWVUBVJREOUNPY-ZOBUZTSGSA-N 411.593 3.104 0 40 HGAB Cc1ccc(NC(=O)c2cccc(S(=O)(=O)NCc3cccs3)c2)c(O)c1 17410730 HYQUEIXTMNGPGQ-UHFFFAOYSA-N 402.497 3.493 0 40 HGAB COc1ccc(-c2csc(NC(=O)c3cc(-c4cnn(C)c4)on3)n2)cc1OC 19290767 NTNPFEVJCKWNTK-UHFFFAOYSA-N 411.443 3.468 0 40 HGAB CCc1noc(C)c1C(=O)N1CCC[C@H]1c1nc(N(C)C)ncc1-c1cc(C)no1 19521225 CIMWGBRCSFICBM-INIZCTEOSA-N 410.478 3.342 0 40 HGAB CN(C)C(=O)[C@]1(Cc2ccc(-c3ccsc3)cc2)CCN(C(=O)c2cc[nH]n2)C1 19580075 TVZRKLVAKJMGAD-QFIPXVFZSA-N 408.527 3.301 0 40 HGAB Cc1ccc(OCCN2CCCC2)c(NC(=O)c2cnc3sc(C)cn3c2=O)c1 19717150 WNGKMGUOIIQCSD-UHFFFAOYSA-N 412.515 3.100 0 40 HGAB COc1ccc(N(C)S(C)(=O)=O)cc1C(=O)N[C@@H](C)c1ccc(SC)cc1 20030191 HQIMWCZTZYMXQY-ZDUSSCGKSA-N 408.545 3.304 0 40 HGAB C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](NC(=O)CN3CCOCC3)CC[C@@H]12 20111597 DMLFUNWWXDIAEI-RIDRLPTGSA-N 418.622 3.207 0 40 HGAB biogenic O=C(CSc1nc2c(=O)[nH]cnc2n1-c1ccccc1)NCCC1=CCCCC1 20530626 LDTRAGIBMUHBSI-UHFFFAOYSA-N 409.515 3.208 0 40 HGAB Cc1cc2nc(CSc3nnc(NC(=O)c4cccc(F)c4)s3)cc(=O)n2o1 20984545 VRZZXZQBYIMSIB-UHFFFAOYSA-N 417.447 3.131 0 40 HGAB Cc1nc(COc2ccccc2C(=O)Nc2ccc(N3CCN(C)CC3)nc2)cs1 21131704 XXRDOCAXALDGDJ-UHFFFAOYSA-N 423.542 3.430 0 40 HGAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)N[C@@H](C)c2cc(C)c(C)cc2C)cc1C 22539372 OCBZWYQXDSKFFK-ZWKOTPCHSA-N 418.559 3.473 0 40 HGAB COc1ccc(NC(=O)C(=O)NC[C@H](c2ccco2)N2CCc3ccccc3C2)cc1 22907391 BQAFHCXVYCIKKA-OAQYLSRUSA-N 419.481 3.143 0 40 HGAB COc1cc(Cl)cc(CN(CCN2CCOCC2)Cc2cccnc2)c1OC 22931442 HMUZDMYIELDCGP-UHFFFAOYSA-N 405.926 3.087 0 40 HGAB Cc1nn(C)c2ncc(NC(=O)[C@H]3CCCN3C(=O)C34CC5CC(CC(C5)C3)C4)cc12 24032993 KLRDUPHSNJMWGZ-XOQVKLMPSA-N 421.545 3.423 0 40 HGAB O=C(Nc1cccc2ccccc12)N1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1 24060750 KHBIGNYELZCKKF-UHFFFAOYSA-N 413.481 3.426 0 40 HGAB C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)NCCCc1nc2ccccc2[nH]1 25072884 RHDWRAKPILIKAC-MRXNPFEDSA-N 403.490 3.479 0 40 HGAB O=C(CN1CCC(NC(=O)c2ccc(F)cc2)CC1)Nc1ccccc1OC(F)F 27438403 FVXWOOKZNIVBQR-UHFFFAOYSA-N 421.419 3.260 0 40 HGAB O=C(NCc1ccc(C(=O)N2CCCCC2)cc1)NCc1ccc(N2CCCC2)nc1 29326227 ZARXWNWLSXIPQW-UHFFFAOYSA-N 421.545 3.307 0 40 HGAB CCc1nn2c(=O)cc(COC(=O)c3cc(C)n(CC(F)(F)F)c3C)nc2s1 30346334 WSTIMYHOBLVHAG-UHFFFAOYSA-N 414.409 3.051 0 40 HGAB Cn1c(Cc2csc(NC(=O)[C@H]3Cc4cc(Cl)ccc4O3)n2)n[nH]c1=S 32787108 BNWCCDZAVWMOAW-GFCCVEGCSA-N 407.908 3.121 0 40 HGAB CC(C)CCNC(=O)Cn1cc(-c2nc(-c3ccc(Cl)cc3)no2)ccc1=O 33293212 YKXAEXQRVMKZIH-UHFFFAOYSA-N 400.866 3.381 0 40 HGAB C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1)c1cc2ccccc2o1 36397601 AEIRUDHKKSEDLQ-OAHLLOKOSA-N 413.499 3.106 0 40 HGAB COc1ccccc1Cc1nnc(NC(=O)c2cnc(N3CCC(C)CC3)nc2)s1 36752202 ARNQEIXNCHVVTC-UHFFFAOYSA-N 424.530 3.416 0 40 HGAB C[C@@H]1C[C@H]1c1ccc(CN(C)S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)o1 40091318 NBYVAOPCLJIXFV-ZYHUDNBSSA-N 410.879 3.208 0 40 HGAB CCCCn1c(N)c(N(C)C(=O)c2ccc(-c3ccccc3)cc2F)c(=O)[nH]c1=O 40129138 NLIWDBXDMVXEPQ-UHFFFAOYSA-N 410.449 3.002 0 40 HGAB Cc1nn2c(=O)cc(CSc3nnc(Nc4ccccc4F)s3)nc2s1 44029598 VGOVZOGJWYZGCJ-UHFFFAOYSA-N 406.493 3.486 0 40 HGAB Cn1ccnc1[C@](O)(CC(=O)N1CCC[C@@H]1Cc1ccccc1Cl)C(F)(F)F 55524853 KGQJZFZJUCMUSS-RDTXWAMCSA-N 415.843 3.447 0 40 HGAB CCn1c(-c2ccncc2)nn(CN2CCN(c3ccc(C(C)=O)cc3)CC2)c1=S 57418806 UQNXJAJOTKJHCX-UHFFFAOYSA-N 422.558 3.478 0 40 HGAB C[C@@H](C(=O)Nc1ccc(Br)cc1)N1CCN(c2ccccc2O)CC1 58159122 XDFREXMYUHWDCY-AWEZNQCLSA-N 404.308 3.304 0 40 HGAB COC(=O)CCOc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1 58180722 JIWHAJVCTMTGOI-UHFFFAOYSA-N 414.277 3.192 0 40 HGAB Cc1cc(Nc2cnccn2)cc([C@H]2CCCN2S(=O)(=O)c2c(C)noc2C)n1 72372691 MHAYMQINSDLWSH-QGZVFWFLSA-N 414.491 3.054 0 40 HGAB COc1ccc(Cl)cc1NC(=O)CN1CC(c2nc(Cc3ccccc3)no2)C1 77190710 MGVFNCNCULZVDL-UHFFFAOYSA-N 412.877 3.360 0 40 HGAB COCCn1c(C(=O)N[C@@H](c2ccc(F)c(F)c2)c2ncon2)cc2ccccc21 95452228 REDNKVATJRMXKQ-IBGZPJMESA-N 412.396 3.468 0 40 HGAB COc1ccc(OCC(=O)N2CCC[C@H]2c2nc(-c3ccc(OC)cc3)no2)cc1 98212237 ATQGWYRACPTUOS-IBGZPJMESA-N 409.442 3.496 0 40 HGAB COCC(=O)NC[C@H]1CC[C@H](c2nc(N3CCCC3)ncc2-c2ccncc2)CC1 100739144 DCKHUAXPEKDYFQ-IZAXUBKRSA-N 409.534 3.175 0 40 HGAB O=C1[C@@H]2[C@@H](C(=O)N1c1cccc(C(F)(F)F)c1)N1CCCN1[C@H]2c1ccccc1 100830762 LPQXAUCZLPZYGO-BZSNNMDCSA-N 401.388 3.241 0 40 HGAB COc1ccc2c(C)c(CCC(=O)NC[C@H]3CC[C@@H](C(=O)O)CC3)c(=O)oc2c1C 217442156 VVMBRBNVTGWWSX-WKILWMFISA-N 415.486 3.358 0 40 HGAB O=C(NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cc2ccccc2o1 224329967 ACCWEXYZQKOHCK-UHFFFAOYSA-N 414.483 3.026 0 40 HGAB COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NCCN(C)c2ccccc2)cc1 225755120 DSAHOJDQNBVDPL-XLNRJJMWSA-N 419.481 3.312 0 40 HGAB CN(c1ccc2sc(C(=O)N3CCOc4ccccc43)cc2c1)S(C)(=O)=O 225851227 VXUHBOOKIQZWMP-UHFFFAOYSA-N 402.497 3.336 0 40 HGAB COCCCNC(=S)Nc1nc(N2C[C@@H](C)C[C@@H](C)C2)cc(C(F)(F)F)n1 225902341 NAHKSKYHOVHSFV-TXEJJXNPSA-N 405.490 3.301 0 40 HGAB Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCOc4ccccc43)C2)c1 225920306 UMEGFIFIHHXHGT-GOSISDBHSA-N 414.527 3.130 0 40 HGAB COc1ccc(OCC(=O)Nc2cc(Br)c3nc(NN)sc3c2)cc1 226313680 PJXYALIRCIHRDX-UHFFFAOYSA-N 423.292 3.371 0 40 HGAB Nc1nnc(/C=C/c2ccc(OCc3cccnc3)c(I)c2)o1 226338915 COYJBRQDHJZDPE-GQCTYLIASA-N 420.210 3.401 0 40 HGAB Cc1ccc([C@@H]2[C@H]3C=C[C@@]4(O3)[C@@H]2C(=O)N(C(C)(C)C)[C@H]4C(=O)NC2CCCC2)cc1 245227181 DXOLGWOCJNTKGM-RPMNLZPZSA-N 408.542 3.470 0 40 HGAB COCCCNC(=S)Nc1nc(N2CCCCCC2)cc(N2CCC[C@H](C)C2)n1 260740006 ROEBRRVUOFKRTO-KRWDZBQOSA-N 420.627 3.416 0 40 HGAB CS(=O)(=O)N(CCCC(=O)NCCSc1ccccc1)c1ccc(F)cc1 408706339 DIAMXASDSFFYDE-UHFFFAOYSA-N 410.536 3.280 0 40 HGAB O=C(N[C@@H]1C(=O)N/[N+](=C\c2ccccc2Cl)[C@@H]1c1ccccc1)c1ccc(F)cc1 409059904 YKNAWCUOBNXHSF-IQUGWNQFSA-O 422.867 3.495 0 40 HGAB O=C(CN1C(=O)N/C(=C/c2cc(Cl)c(O)c(Cl)c2)C1=O)Nc1ccccc1F 409203942 ZNXHWROVONPXMC-VGOFMYFVSA-N 424.215 3.370 0 40 HGAB O=C(N[C@@H]1CCN(c2ccccn2)C1)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 542409570 TXHPQQRHLSDXOU-RBUKOAKNSA-N 423.565 3.415 0 40 HGAB CS(=O)(=O)Nc1ccc(-c2nc(Cc3ccc(Br)cc3)no2)cc1 544934161 SZPFRPWYAPTJSK-UHFFFAOYSA-N 408.277 3.461 0 40 HGAB CC(C)S(=O)(=O)c1ccc(CC(=O)NC[C@H](c2ccsc2)n2cccn2)cc1 575612417 ACEVDTVSQQQFQD-LJQANCHMSA-N 417.556 3.075 0 40 HGAB Cc1nc(N2CCC(NC(=O)[C@H]3CCc4ccccc4O3)CC2)cc(C(F)(F)F)n1 575615793 GPUHGPPIXAOXBI-QGZVFWFLSA-N 420.435 3.283 0 40 HGAB C[C@@H]1CCCN(C[C@@H]2CC3(CCN(C(=O)Cc4ccc(N(C)C)cc4)CC3)CO2)C1 585104476 OZZNCBPKNORVDN-OFNKIYASSA-N 413.606 3.425 0 40 HGAB O=C(Cn1ccc2ccccc21)N1CCC(Cn2nc3c(cc2=O)CCCC3)CC1 1775965937 LUQVRRRRGZKFIG-UHFFFAOYSA-N 404.514 3.016 0 40 HGAB CCc1ncnc(N2CCC(COc3cc(-n4nc(C)cc4C)ncn3)CC2)c1F 1775970221 HTTHAAGAXMNBFE-UHFFFAOYSA-N 411.485 3.066 0 40 HGAB CN1C(=O)COc2ccccc2CCCC[C@@H]2[C@H]1CCCN2C(=O)Cc1cccnc1 1848357421 DALBGUQAFAQUQD-FGZHOGPDSA-N 421.541 3.248 0 40 HGAB COc1ccc(-n2c(S)nnc2[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1OC 1889184570 BBFKVIFTZXVYNQ-OAHLLOKOSA-N 410.499 3.089 0 40 HGAB CN(c1nc2ccccc2n2c(-c3ccco3)nnc12)S(=O)(=O)c1ccccc1 2363962 NEAXKUDYCSRQCQ-UHFFFAOYSA-N 405.439 3.363 0 40 HGAB CC1(C)Cc2c(c(N3CCCC3)nc3sc4c(N5CCNCC5)ncnc4c23)CO1 2413313 NJQMPMXJDCTVOO-UHFFFAOYSA-N 424.574 3.101 0 40 HGAB C[C@@H](Cn1cc(Br)cn1)c1nc2c3cnn(-c4ccccc4)c3ncn2n1 2803873 UOTAPQNYDWFQAZ-LBPRGKRZSA-N 423.278 3.226 0 40 HGAB CCCn1nc(C(=O)OCC(=O)Nc2ccc(F)c(Cl)c2)c2ccccc2c1=O 3307983 MPXGKEOABBZVAO-UHFFFAOYSA-N 417.824 3.395 0 40 HGAB O=C1CN(C(=O)CSc2nnc(-c3c[nH]c4ccccc34)o2)c2ccccc2N1 3519285 KZXPFUOTZSIHIT-UHFFFAOYSA-N 405.439 3.295 0 40 HGAB CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N1CCC(C(=O)O)(c2ccccc2)CC1 4082997 DTUWAOUONNXFTO-KRWDZBQOSA-N 402.491 3.031 0 40 HGAB biogenic C=Cc1ccc(CN2C(=O)N(c3ccc(OCC)cc3)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 4484269 DEOVSOAQIGZGIX-LEWJYISDSA-N 412.511 3.336 0 40 HGAB Cn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)c1=O 5000120 XPSQTJUJTBCWHN-UHFFFAOYSA-N 411.767 3.011 0 40 HGAB COc1ccc(/C=C/C(=O)N(Cc2ccc(F)cc2)[C@H]2CCS(=O)(=O)C2)cc1 5163446 HQVHWEUSPULWCW-NJGYHNCTSA-N 403.475 3.063 0 40 HGAB COc1ccc(/C=C/C(=O)N[C@@H](C)C(=O)OCc2nnc(-c3ccccc3)o2)cc1 5289524 UZCIPTLUZBTYOZ-VOMSXAGXSA-N 407.426 3.007 0 40 HGAB C[C@H]1Cc2ccccc2N1C(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 5603289 YIFZLVJVNUFRDQ-GVDBMIGSSA-N 414.527 3.076 0 40 HGAB COc1cc(C)c(NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cc1OC 5616813 UMCAZCUXEDJMPA-UHFFFAOYSA-N 404.488 3.049 0 40 HGAB CC(C)(C)c1ccc(COC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 6212287 OETNMVHEUDBZBX-UHFFFAOYSA-N 417.527 3.362 0 40 HGAB O=C(CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O)Nc1ccccc1OC(F)F 6552975 QENMPPNEKBJIQB-OAQYLSRUSA-N 415.396 3.010 0 40 HGAB O=C(CN1CCC(c2nc3ccccc3s2)CC1)Nc1ccc2[nH]c(=O)[nH]c2c1 6654513 RDSNFBQLLUUIHA-UHFFFAOYSA-N 407.499 3.284 0 40 HGAB O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)[C@@H]1CC(=O)N(C2CCCC2)C1 7399130 WHGUJMFIAWBZFW-QGZVFWFLSA-N 407.518 3.401 0 40 HGAB COc1ccc(N2C(=O)CC[C@H](C(=O)NC3=NCCS3)[C@H]2c2ccccc2)cc1 7986885 JTVGMGJYYXJIIX-AZUAARDMSA-N 409.511 3.399 0 40 HGAB NS(=O)(=O)c1ccc(OCCOc2ccc(Br)cc2Cl)cc1 8154629 MTFFTCZFIYLMER-UHFFFAOYSA-N 406.685 3.208 0 40 HGAB CCOc1ccccc1NC(=O)CSc1nnc2[nH]c(=O)cc(-c3ccccc3)n12 8601557 OJOFHPPKPCFHBE-UHFFFAOYSA-N 421.482 3.214 0 40 HGAB O=C(O[C@@H]1CCCCC1=O)c1ccc(Cl)c(S(=O)(=O)NCc2ccccc2)c1 9491565 PIOTXHVFMREGAJ-GOSISDBHSA-N 421.902 3.487 0 40 HGAB Cc1cc(N2CCN([C@H](C(=O)N3CCCC3)c3ccccc3)CC2)nc(C(C)C)n1 9863080 OYOINVXCBUFCMJ-QFIPXVFZSA-N 407.562 3.394 0 40 HGAB COC(=O)c1ccccc1NC(=O)CCCN(c1ccc(C)c(C)c1)S(C)(=O)=O 10337184 CBAXKMKGGFCVMB-UHFFFAOYSA-N 418.515 3.275 0 40 HGAB CS(=O)(=O)Nc1cccc(CNC(=O)CCSc2ccc(F)c(F)c2)c1 10548618 AAHKJGXJKBQDAJ-UHFFFAOYSA-N 400.472 3.135 0 40 HGAB CNS(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccc4c(c3)CCC4)cs2)cc1 10552934 CWTVJLVPSHDYII-UHFFFAOYSA-N 413.524 3.459 0 40 HGAB COc1ccc(NC(=O)[C@H](OC(=O)c2nccnc2N)c2ccccc2)cc1Cl 11291346 DVLPWRPMOVGHHC-QGZVFWFLSA-N 412.833 3.258 0 40 HGAB O=C(Cc1ccc(F)cc1Cl)N1CCC[C@@H]1Cn1nnc(-c2cccs2)n1 12084983 VJWFBPGJSIBGEC-CQSZACIVSA-N 405.886 3.428 0 40 HGAB O=C1NC2(CCN(C(=O)c3ccc(CN4CCCCC4)cc3)CC2)Oc2ccccc21 12145777 JAZSDUPVQQTMAB-UHFFFAOYSA-N 419.525 3.427 0 40 HGAB COC(=O)c1sc2cccc(F)c2c1S(=O)(=O)NCc1ccccc1OC 12415325 NXXHGDLFTODTBI-UHFFFAOYSA-N 409.460 3.314 0 40 HGAB CC(=O)c1ccc(NC(=O)CN2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)cc1 12470834 LJRIVKJSJXCKEJ-UHFFFAOYSA-N 422.481 3.194 0 40 HGAB COc1ccc(NC(=O)[C@H](OC(=O)c2cc(S(C)(=O)=O)ccc2C)C(C)C)cc1 12475276 FDNHCKQQMITWGI-LJQANCHMSA-N 419.499 3.227 0 40 HGAB COc1ccc(C(=O)Nc2ccncc2)cc1S(=O)(=O)N(C)Cc1ccccc1 12563105 RLNBZQNMZGZGMA-UHFFFAOYSA-N 411.483 3.163 0 40 HGAB CCN(Cn1nc(Nc2ccc(F)cc2)sc1=S)[C@H]1CCS(=O)(=O)C1 12781875 KDKSVVQIWWDLBX-ZDUSSCGKSA-N 402.542 3.023 0 40 HGAB C[C@@H](NC(=O)NCCc1ccc2c(c1)OCCO2)c1ccc(NC(=O)C2CC2)cc1 12971626 IFKHFALZWXJQHD-OAHLLOKOSA-N 409.486 3.409 0 40 HGAB Cc1cc(-c2snnc2[C@@H]2CCCN(C(=O)[C@H](C)Cn3nc(C)cc3C)C2)on1 13225371 JMKTUCOJIARYIR-MLGOLLRUSA-N 414.535 3.357 0 40 HGAB CC[C@H](C(=O)NCCc1ccc(OC)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O 13714367 COZGOCYTKYIPEJ-LJQANCHMSA-N 424.950 3.252 0 40 HGAB C[C@H](NC(=O)CCC(=O)N1CCN(c2ccccn2)CC1)C12CC3CC(CC(C3)C1)C2 18271672 SFVNBHSZIOICHI-VEDPWSRISA-N 424.589 3.232 0 40 HGAB Cc1cc(-c2cnc(N(C)C)nc2[C@H]2CCCN2C(=O)CCc2c(C)noc2C)on1 19122314 QOVNEYMPSKKPGJ-GOSISDBHSA-N 424.505 3.407 0 40 HGAB Cc1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](C1CCN(C(=O)CCc3ccno3)CC1)N2 19128666 SZCBSHQCBPQGGT-JKSUJKDBSA-N 411.428 3.339 0 40 HGAB Cc1ccc2c(CC(=O)N3CC[C@H](c4nc(-c5ncccn5)no4)C3)coc2c1C 19221704 JYFYWFJOINHWTF-HNNXBMFYSA-N 403.442 3.448 0 40 HGAB CCN1CCN(Cc2nccn2CC)C[C@H](Cc2ccc(-c3cccnc3)cc2)C1=O 19578094 GIMHANWQCLFAFV-QHCPKHFHSA-N 417.557 3.488 0 40 HGAB Cc1ccc(=O)n(CC(=O)N2CCC(c3ccc(Cc4ccccc4F)cn3)CC2)n1 19690546 GJOSBVZKOKJZBR-UHFFFAOYSA-N 420.488 3.083 0 40 HGAB O=C(c1ccccc1)N1CC[C@@H](c2c(C(=O)N3CCOCC3)sc3ncccc23)C1 19702397 SASFLITUTXTHSM-QGZVFWFLSA-N 421.522 3.398 0 40 HGAB CCOc1ccc(NC(=O)Cn2c(=O)cc(C(=O)N3CCCC3)c3ccccc32)cc1 20176817 GTOZPQCPUSKJBJ-UHFFFAOYSA-N 419.481 3.275 0 40 HGAB COc1ccc(C)cc1NC(=O)Cn1c(=O)cc(C(=O)N2CCCC2)c2ccccc21 20357187 BDOKKURSQLFJPO-UHFFFAOYSA-N 419.481 3.193 0 40 HGAB CS(=O)(=O)c1ccc(C(=O)Nc2ccc(NC(=O)NCc3ccco3)cc2)cc1 21209221 DVDCMYCAHJXOHC-UHFFFAOYSA-N 413.455 3.257 0 40 HGAB CCN(CC)C(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(OC)c(Cl)c1 22246714 AEQNBLPHXIXCJT-SFHVURJKSA-N 424.950 3.107 0 40 HGAB Cc1cc(C)n(CCCNc2nc(CN3CCOCC3)nc3sc(C)c(C)c23)n1 22342634 DPAOPZQKLHSKAM-UHFFFAOYSA-N 414.579 3.456 0 40 HGAB Cc1ccc([C@H](C)NC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cc1 22519478 LQNWYKGKFNGGBT-UGSOOPFHSA-N 408.907 3.053 0 40 HGAB Cc1cc(CN2CCN(CC(=O)N[C@@H](c3ccccc3)c3cccs3)CC2)no1 22800064 RAGATZPYVRHEQJ-QFIPXVFZSA-N 410.543 3.068 0 40 HGAB Cc1ccc([C@@H](CNS(=O)(=O)c2ccc(Cl)s2)N2CCOCC2)cc1 23107990 NFDROIHTBTVRFQ-OAHLLOKOSA-N 400.953 3.062 0 40 HGAB CC(=O)c1ccc(N2CCN(C[C@@H](O)CO[C@@H]3CCCc4ccccc43)CC2)cc1 23409371 OGWTUTVQGZESEI-ILBGXUMGSA-N 408.542 3.466 0 40 HGAB Cc1cc2oc(=O)cc(CN3c4ccc(S(N)(=O)=O)cc4C[C@H]3C)c2cc1Cl 27555975 IORLZQXDUCDTPS-GFCCVEGCSA-N 418.902 3.353 0 40 HGAB CN(C)C1(CNC(=O)c2ccc(CN3C(=O)c4ccccc4C3=O)cc2)CCCCC1 29504757 KZEQNGGOINEHQJ-UHFFFAOYSA-N 419.525 3.477 0 40 HGAB CCN(Cc1nc(N)nc(Nc2ccccc2C)n1)C[C@H]1COc2ccccc2O1 32654933 XDMVENUCEQJHAS-INIZCTEOSA-N 406.490 3.168 0 40 HGAB C[C@@H](NC(=O)N[C@@H](CN1CCOCC1)c1ccccc1)c1ccc(-n2ccnc2)cc1 32802241 RVJJUHRMYACAOM-XXBNENTESA-N 419.529 3.306 0 40 HGAB O=C(CCN1CCN(CCOc2ccccc2Cl)CC1)N1CCc2ccccc21 32870950 GNEVKXFKJQUJNO-UHFFFAOYSA-N 413.949 3.316 0 40 HGAB Cc1ccc2[nH]cc(CCN3C[C@@H](C(=O)N4CCc5ccccc5C4)CC3=O)c2c1 35558680 PCVAWJGYTUQMEQ-NRFANRHFSA-N 401.510 3.452 0 40 HGAB CC(C)S(=O)(=O)c1cccc(-c2nnc(NC(=O)c3cnc4ccccc4n3)o2)c1 36709548 CAAIULAMIFXSGD-UHFFFAOYSA-N 423.454 3.114 0 40 HGAB CC[C@H]1c2ccsc2CCN1C(=O)NCC[C@@](O)(c1nccn1C)C(F)(F)F 45716786 HYZFJKVQECPORV-SUMWQHHRSA-N 416.469 3.341 0 40 HGAB O=C(CCN1C(=O)COc2ccccc21)NC1(c2ccc(Br)cc2)CC1 48206630 NLZPIPFARVPMLK-UHFFFAOYSA-N 415.287 3.370 0 40 HGAB CC(=O)c1ccc(N2CCN(C(=O)c3nnn(-c4ccc(C)c(C)c4)c3C)CC2)cc1 51317541 MQRSDIMINGJLKX-UHFFFAOYSA-N 417.513 3.358 0 40 HGAB Cc1ccc(NC(=O)Cn2c(N3CCc4ccccc4C3)nc(C)cc2=O)c(C)c1 57506518 TZWLYUSJZAIAFH-UHFFFAOYSA-N 402.498 3.370 0 40 HGAB CCOc1c(Br)cc(/C=C/C(=O)N[C@H](C(=O)O)C(C)C)cc1OC 62714722 PMRPIUMGCNFZBM-LFAOLKIESA-N 400.269 3.095 0 40 HGAB CCOC(=O)C[C@@H](c1cccc(OC2CCCC2)c1)c1oc(CO)cc(=O)c1O 71284016 NYOPSMLTPQDWSZ-SFHVURJKSA-N 402.443 3.244 0 40 HGAB COC[C@H]1CN(CCc2ccccc2)CCN(C(=O)Cc2c[nH]c3ccccc23)C1 72354495 WWIZTLHWCNBEPG-NRFANRHFSA-N 405.542 3.360 0 40 HGAB CC(=O)N1CCC[C@@H](c2nc(C)c3c(n2)N(CCCc2ccccc2)C(=O)CC3)C1 72371132 IQXVZXFQTQOADE-HXUWFJFHSA-N 406.530 3.423 0 40 HGAB Cc1nccn1-c1cccc([C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)n1 72379168 UXDNYYYYKKHVJH-MRXNPFEDSA-N 400.479 3.283 0 40 HGAB Nc1ncncc1CNC(=O)/C=C/c1cn(Cc2ccccc2)nc1-c1cccs1 89841014 SRYVZEOWLVDFBP-CMDGGOBGSA-N 416.510 3.362 0 40 HGAB NC(=O)CCCSc1nc(N)nc(-c2c(Cl)cc3c4c(cccc24)COC3)n1 95920802 VIGHQZSTZWNWFA-UHFFFAOYSA-N 415.906 3.315 0 40 HGAB in-vitro COc1ccc(CNC(=O)C2=CC3(CCN(C(C)=O)CC3)Oc3ccccc32)cc1 96088655 JBPNGQYGBATQLQ-UHFFFAOYSA-N 406.482 3.169 0 40 HGAB Cn1ccnc1C1(O)[C@H]2CCC[C@H]1CN(Cc1cccc(OC[C@@H]3CCCO3)c1)C2 100150250 VBYBSMIWUJDFDW-ONTIZHBOSA-N 411.546 3.098 0 40 HGAB CCn1/c(=N/C(=O)CSCC(=O)N2CCc3ccccc32)sc2ccccc21 100825475 AJEVOIXANDXXTL-DQRAZIAOSA-N 411.552 3.473 0 40 HGAB COc1cc2c(cc1OC)CN([C@@H]1CC(=O)N(c3ccc(Cl)cc3)C1=O)CC2 102332107 YONZYNMQCBMVQU-QGZVFWFLSA-N 400.862 3.047 0 40 HGAB Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3ccc(Br)cc3)C2=O)cc1 210838874 MYTJJPJZAWFKPG-MHWRWJLKSA-N 414.259 3.289 0 40 HGAB CCNC(=O)c1cc(S(=O)(=O)N(C)Cc2cccc3ccccc23)ccc1OC 223880895 HQBSTOGQIONUEU-UHFFFAOYSA-N 412.511 3.419 0 40 HGAB CN(c1cccc(NC(=S)NCCSC2CCCCC2)c1)S(C)(=O)=O 225357799 LJXZIWUCLCHRNJ-UHFFFAOYSA-N 401.623 3.435 0 40 HGAB Cc1nc2ccccn2c1-c1nnc2sc(CCN(C)Cc3ccccc3)nn12 227144056 BKVYAYBBRGADJW-UHFFFAOYSA-N 403.515 3.483 0 40 HGAB C[C@@H]1CN(C)CC[C@H]1CCc1ccc(NC(=O)Cc2ccc(-n3cnnn3)cc2)cc1 248150545 TWMURSCRWCSUNG-WIYYLYMNSA-N 418.545 3.364 0 40 HGAB O=C(Cc1ccccn1)N1CCC[C@@]2(CC=CCN(Cc3ccc(F)cc3)C2=O)C1 257215355 CPSXVSJRPAAVMB-DEOSSOPVSA-N 407.489 3.361 0 40 HGAB CC(=O)N1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)N2C(=O)CN1CCCCC1 257291522 QHJDSJHJRLSGHB-CAIUVPPLSA-N 423.601 3.474 0 40 HGAB CCS(=O)(=O)N1CCC[C@H](C(=O)Nc2c(C)cc(Br)cc2C)C1 260712615 JLPKPFIDFHPBBP-ZDUSSCGKSA-N 403.342 3.066 0 40 HGAB CCN(CC(=O)N[C@H](C)CCc1ccccc1)S(=O)(=O)c1cc(C)ccc1C 260822899 BUFFWWIOSMHVHK-LJQANCHMSA-N 402.560 3.452 0 40 HGAB Cc1cc2c(=O)c(-c3ccc(O[C@@H](C)C(=O)O)cc3)coc2cc1O[C@H](C)C(=O)O 263583668 SNPKPSDVBDSFEQ-QWHCGFSZSA-N 412.394 3.472 0 40 HGAB COc1ccc(CNC(=O)CN(c2ccc(Cl)cc2Cl)S(C)(=O)=O)cc1 408549541 ZSFFUMZFLBQQTI-UHFFFAOYSA-N 417.314 3.084 0 40 HGAB C[C@@H]1CC[C@@H]2C(=O)N(c3ccc(C(=O)OCC(=O)Nc4ccccc4)cc3)C(=O)[C@H]2C1 408666645 RKGULWZIIMNQFI-XPGWFJOJSA-N 420.465 3.408 0 40 HGAB COc1ccccc1CNC(=O)c1ccccc1N(C)S(=O)(=O)c1ccccc1 409330189 KJAGKNPWGYFNDN-UHFFFAOYSA-N 410.495 3.450 0 40 HGAB COc1ccc(C)cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc2cccc(F)c2)C1 409387640 ATJQPWPLRDSHET-HNNXBMFYSA-N 406.479 3.182 0 40 HGAB O=C(NCc1ccc(Br)cc1)C1CCN(c2cc3c(nn2)CCC3)CC1 585150327 KSPCTBPYTQNEIV-UHFFFAOYSA-N 415.335 3.261 0 40 HGAB O=C(NCCn1nc(-c2ccccc2)n(C2CC2)c1=O)NCc1ccc(Cl)cc1 585199844 XIDONEZEJWVTCX-UHFFFAOYSA-N 411.893 3.200 0 40 HGAB O=C(NC1CCCC1)[C@@H]1CN(CC2CCOCC2)[C@H]2c3cc(F)ccc3OC[C@@H]12 1772595827 NBDNKSGSKXCXGQ-URVUXULASA-N 402.510 3.293 0 40 HGAB O=C(NCc1ccccc1)[C@@H]1CN(CC2CCOCC2)[C@H]2c3ccccc3OC[C@@H]12 1772596006 YMJDIILVIOHLLY-GPXNEJASSA-N 406.526 3.411 0 40 HGAB Cc1nc2ccccc2c(=O)n1CC1CCN(C(=O)COc2ccccc2F)CC1 1848808423 AUFALTPDNQETPR-UHFFFAOYSA-N 409.461 3.162 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC(C(=O)N(C)Cc3ccccc3)CC2)cc1C 813953 HIHSZTGRTQPPQI-UHFFFAOYSA-N 416.543 3.063 0 40 HGAB CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3OC)=C(C)Nc3nnnn32)cc1 814802 ZSQZGTYAAGYGMI-LJQANCHMSA-N 406.446 3.008 0 40 HGAB Cn1c(=O)c2c(nc(Oc3ccc(Cl)cc3)n2Cc2cccc(F)c2)n(C)c1=O 851295 IBWHRLGQKNBSND-UHFFFAOYSA-N 414.824 3.067 0 40 HGAB biogenic CCC(=O)Nc1nnc(SCC(=O)Nc2ccccc2Br)s1 1381686 MMRFTORZMXHRLA-UHFFFAOYSA-N 401.311 3.380 0 40 HGAB CC(=O)OC(OC(C)=O)c1cc(Cl)c(C(OC(C)=O)OC(C)=O)cc1Cl 1585903 NFFXEFAWIDHLCV-UHFFFAOYSA-N 407.202 3.243 0 40 HGAB Cc1cc(O[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)O)c2c3c(c(=O)oc2c1)CCCC3 2115246 URQIILWNBLGRRJ-YOEHRIQHSA-N 415.486 3.363 0 40 HGAB biogenic CCCCn1c(SCC(=O)NC(=O)Cc2ccccc2)nc2ccccc2c1=O 2665191 AYVBLPBSARNZBI-UHFFFAOYSA-N 409.511 3.174 0 40 HGAB CCCCOC(=O)c1ccc(NC(=O)CSc2nnnn2-c2ccccc2)cc1 3066105 IZCSIYFXYMFAER-UHFFFAOYSA-N 411.487 3.350 0 40 HGAB CC[C@H](C)N(C(=O)COc1ccccc1Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 3405987 LXUADJYAHISQBQ-GHTZIAJQSA-N 415.555 3.470 0 40 HGAB Cc1ccc(C)c(OCc2nnc(S[C@H](C)C(=O)Nc3nnc(C)s3)n2C)c1 4736447 HBTKKPKLYIQGLB-GFCCVEGCSA-N 418.548 3.290 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCCN(C(=O)C(F)(F)F)[C@@H]2c2ccccc2)cc1 4778660 GJXBSQNZAUMBMC-KRWDZBQOSA-N 412.433 3.479 0 40 HGAB COCC(=O)N1c2ncnn2[C@H](c2ccc(OC)cc2)C[C@H]1c1ccc(OC)cc1 4816819 GBKCTHNWPHOXND-PMACEKPBSA-N 408.458 3.009 0 40 HGAB C[C@H]1C[C@@H](C)CN(C(=O)Cn2c(SCC(=O)N3CCCC3)nc3ccccc32)C1 4859307 VMZILFKEIMVHQG-CALCHBBNSA-N 414.575 3.255 0 40 HGAB Cc1ccc(N(CC(=O)NC2CCCCC2)C(=O)CNC(=O)c2ccco2)c(C)c1 4875974 WRCBWEUWCRBPDP-UHFFFAOYSA-N 411.502 3.108 0 40 HGAB COc1ccccc1[C@@H]1c2ccc(O)cc2Oc2ncn(CCCN(C)C)c(=N)c21 5348784 NRBALVWYGYRCKN-HXUWFJFHSA-N 406.486 3.314 0 40 HGAB CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(NC(=O)COC(C)=O)c1 5853145 OKQSZOITMHOBSV-UHFFFAOYSA-N 410.879 3.057 0 40 HGAB CCOc1cccc(C(=O)NC(=S)Nc2sc3c(c2C(N)=O)CC[C@@H](C)C3)c1 6657197 UYDKMGIKWVPUHC-LLVKDONJSA-N 417.556 3.497 0 40 HGAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)OC(=O)CCN1C(=O)c2ccccc2C1=O 6943902 ZKEBEFPOQGCCNE-AWEZNQCLSA-N 404.422 3.277 0 40 HGAB COc1cccc(CNC(=O)COc2ncnc3ccc(Br)cc23)c1 7779907 GEUPOVFKXCMGDJ-UHFFFAOYSA-N 402.248 3.096 0 40 HGAB CCN(CC(=O)Nc1ccc2c(c1)OCCO2)CC(=O)Nc1cc(Cl)ccc1C 7907127 KLYGVYPFLZJIFV-UHFFFAOYSA-N 417.893 3.319 0 40 HGAB COc1cc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCN(C)C)ccc1O 8373812 JYEDRFSXAQGXPL-FQEVSTJZSA-N 408.454 3.004 0 40 HGAB CCOc1ccc(-n2nnnc2CNC(=O)NCc2cccc3ccccc23)cc1 9615446 QDWWZCKIFJVPDM-UHFFFAOYSA-N 402.458 3.214 0 40 HGAB C[C@]1(c2cc3ccccc3o2)NC(=O)N(CC(=O)c2ccc3c(c2)OCCCO3)C1=O 9666557 HMTBHSAPUAZRCD-HSZRJFAPSA-N 420.421 3.244 0 40 HGAB COc1cc(OC)c(NC(=O)COC(=O)c2ccc(OC)c(OC)c2)cc1Cl 10881938 WZRIELXDXVVZNS-UHFFFAOYSA-N 409.822 3.170 0 40 HGAB O=C(CNC(=O)c1ccc(Cl)cc1)Nc1ccc(N2CCCC2=O)c(Cl)c1 11416648 CCJZGTFIRMYHLG-UHFFFAOYSA-N 406.269 3.489 0 40 HGAB CC[C@H](C)[C@H](CO)NC(=O)COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1 11867538 LVUCAFLVXMAPCB-YOEHRIQHSA-N 411.454 3.068 0 40 HGAB biogenic CC(=O)NCCn1nc([C@@H]2CCCN(Cc3ccc(F)c(F)c3)C2)c2cccnc21 12219504 NJQPHGODBRTJIO-QGZVFWFLSA-N 413.472 3.225 0 40 HGAB Cc1cc(C)n(CCCC(=O)N[C@H](Cc2cccs2)c2nccs2)c(=O)n1 12226110 ADIVLIJMSKPFSP-MRXNPFEDSA-N 402.545 3.259 0 40 HGAB in-vitro COc1ccc(OC)c2c1cc(C(=O)N1CCC[C@H](c3nnc4ccccn34)C1)n2C 12323135 NMXJTPXQDSACLZ-HNNXBMFYSA-N 419.485 3.258 0 40 HGAB COc1ccc(/C=C2\SC(=O)N(CC(=O)N3CCCCCC3)C2=O)cc1OC 12378585 KWGQYMNAGIRSQM-ATVHPVEESA-N 404.488 3.143 0 40 HGAB CCOc1ccccc1CNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 12412474 SCXDCOSOSOUDQI-GOSISDBHSA-N 422.934 3.208 0 40 HGAB O=C(NCCCn1cnc2ccccc21)c1ccccc1I 12490242 YOEMKUQWUFZHBU-UHFFFAOYSA-N 405.239 3.461 0 40 HGAB CCC(=O)c1ccc(OCC(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)cc1 12583511 DAXNFARKPICNFD-UHFFFAOYSA-N 407.470 3.165 0 40 HGAB Cc1ccccc1SCC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 12678325 LRZDMURTRQQMGG-UHFFFAOYSA-N 420.556 3.055 0 40 HGAB Cc1nn(CC(=O)Nc2nc(CN3CCC[C@H](C)C3)cs2)c(=O)c2ccccc12 12756106 VUZZPHZZCOFZIM-AWEZNQCLSA-N 411.531 3.032 0 40 HGAB O=C(c1cncc(Br)c1)N1CCN(Cc2cccc3cccnc23)CC1 12777962 ZWOFUKAJQGDWJV-UHFFFAOYSA-N 411.303 3.350 0 40 HGAB COc1ccc(C(=O)C2CCN(CCC(=O)NC(=O)NCc3ccccc3)CC2)cc1 12793821 RMKDDRRUANODJS-UHFFFAOYSA-N 423.513 3.006 0 40 HGAB Cc1ccc(N2C(=O)C(=O)N(CC(=O)N(Cc3ccco3)C3=CCCCC3)C2=O)cc1 12797692 PONBLYHMCAWGBE-UHFFFAOYSA-N 421.453 3.370 0 40 HGAB COc1ccc(/C=C/C(=O)N2CCC(C(=O)NCc3ccccc3)CC2)c(OC)c1 12941444 XUYVTMMUWCZIKM-PKNBQFBNSA-N 408.498 3.272 0 40 HGAB COc1cccc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)NC[C@@H]4CCCO4)c3N2)c1 13124056 URNPSFADKPRTEG-XIRDDKMYSA-N 424.423 3.461 0 40 HGAB Cc1cc(C)cc(N(CC(=O)NCCSCc2ccccc2F)S(C)(=O)=O)c1 13632291 QFMBRRCBSPIQJD-UHFFFAOYSA-N 424.563 3.258 0 40 HGAB CCOc1cc(/C=c2\sc3nc4ccccc4n3c2=O)c(Br)cc1O 13749263 PLIFEARGVQJBKA-PXNMLYILSA-N 417.284 3.324 0 40 HGAB O=C(/C=C/c1ccc2c(c1)OCCCO2)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 13986298 FADHIMDSWXCAFQ-VQHVLOKHSA-N 419.481 3.368 0 40 HGAB Cc1nc(SCC(=O)N2CCN(C(=O)C(C)C)CC2)c2c(C)c(C)sc2n1 14135629 HLEUWCPYZBUPMR-UHFFFAOYSA-N 406.577 3.035 0 40 HGAB CCOc1ccccc1NC(=O)Cn1cc(OC)c(=O)cc1CN1CCC(C)CC1 17316068 GYKMSTJUCHFFDG-UHFFFAOYSA-N 413.518 3.126 0 40 HGAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)OCCCn1c(=O)[nH]c2ccccc21 18747075 RJNOMBOAABQDBD-OAQYLSRUSA-N 405.454 3.227 0 40 HGAB COc1ccc([C@H]2[C@H]3C(=O)N(c4cccc5ccccc45)C(=O)[C@H]3N3CCCN23)cc1 19169286 FNIWUJASFHKNMA-VJBWXMMDSA-N 413.477 3.384 0 40 HGAB C[C@H](Cc1ccc2c(c1)OCO2)CN1CCc2c(O)nc(-c3cccnc3)nc2C1 19456859 XBLDRCBQFVXQNY-OAHLLOKOSA-N 404.470 3.210 0 40 HGAB CCNC(=O)[C@]1(Cc2ccccc2-c2ccc(F)cc2)CN(C(=O)C(C)C)CCO1 19529209 CDSVLTFWWBLZIW-DEOSSOPVSA-N 412.505 3.425 0 40 HGAB Cc1c(C(=O)N2CCC(c3nc(NC(C)C)ncc3-c3ccncc3)CC2)cnn1C 19553200 UYECICZRKGTBTI-UHFFFAOYSA-N 419.533 3.421 0 40 HGAB COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)C[C@H]1C(=O)Nc1ccc(OC)cc1 19819136 WQAHYOWGOSACTL-GOSISDBHSA-N 412.417 3.273 0 40 HGAB CC(C)Oc1ccc(CNC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)cc1 20044036 YNBHCGDXVNMPKJ-UHFFFAOYSA-N 410.923 3.210 0 40 HGAB CCOc1ccc(NC(=O)c2cc(OC)c(OC)cc2N(CC)S(C)(=O)=O)cc1 22252035 MMPCHIXAPXRSTD-UHFFFAOYSA-N 422.503 3.141 0 40 HGAB CC[C@H](NC(=O)CN(c1ccccc1C)S(C)(=O)=O)c1ccc(OC)c(OC)c1 22327169 WYNOURWPODMXOZ-KRWDZBQOSA-N 420.531 3.046 0 40 HGAB CCc1ccccc1N(CC(=O)NCCCc1ccc(Cl)cc1)S(C)(=O)=O 22329804 GSDPCTPVQCPWMH-UHFFFAOYSA-N 408.951 3.417 0 40 HGAB Cc1ccc(OCCNC(=O)CN(c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)cc1 22374147 HLTJQYMACBNENC-UHFFFAOYSA-N 418.559 3.254 0 40 HGAB Cc1cc(C)c(N(CC(=O)NCCSc2ccccc2)S(C)(=O)=O)c(C)c1 22384384 CGTOMUSDNXQXMU-UHFFFAOYSA-N 406.573 3.286 0 40 HGAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NC1CC(C)(C)NC(C)(C)C1 24770957 LWULTINOGJGVII-UHFFFAOYSA-N 421.607 3.209 0 40 HGAB Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)N1CCN(C(=O)C(C)C)CC1 25280637 HTXYEJYGEBHABM-UHFFFAOYSA-N 402.926 3.142 0 40 HGAB CC(C)c1ccccc1OCC(=O)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C 32859796 DHVLFWZITIAWNI-KRWDZBQOSA-N 423.513 3.411 0 40 HGAB C[C@H](Sc1nnc(C2CC2)n1CCC(N)=O)C(=O)C12CC3CC(CC(C3)C1)C2 32895013 NXRHFQZTEKHSEQ-PXRHCINRSA-N 402.564 3.297 0 40 HGAB CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)OCC(=O)Nc1ccc(Cl)cn1 32910088 KPHGNKOSENICFF-QGZVFWFLSA-N 424.284 3.325 0 40 HGAB COc1ccc(S(=O)(=O)N(CC(=O)NC(C)(C)C)Cc2ccccc2)cc1C 33615952 DBXFXBTZZDCFSQ-UHFFFAOYSA-N 404.532 3.109 0 40 HGAB CCOC(=O)CCC(=O)N1CCC[C@@H](c2nnc(-c3ccc(OC)cc3)s2)C1 36705215 QJXKEOZLYYKFEQ-OAHLLOKOSA-N 403.504 3.263 0 40 HGAB CN(C)[C@@H](CNC(=O)[C@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1)c1cccs1 40120001 NHVYILMJRIJWMW-HKUYNNGSSA-N 417.550 3.087 0 40 HGAB COc1cccc(C(=O)Nc2ccc(OCc3cc(=O)n4oc(C)cc4n3)cc2)c1 41085646 HTPQALQKIQCSQV-UHFFFAOYSA-N 405.410 3.436 0 40 HGAB O=C1C[C@@]2(CC(c3cccc(Br)n3)=NO2)C(=O)N1c1ccc(Cl)cc1 44902478 MPIXKSHTFPIQNV-KRWDZBQOSA-N 420.650 3.324 0 40 HGAB C[C@@H](C(=O)NC(C)(C)C)S(=O)(=O)Cc1csc(COc2ccc(F)cc2)n1 46156811 UQKLSAWDHNLHLR-LBPRGKRZSA-N 414.524 3.079 0 40 HGAB Cc1nc2ccccc2nc1CS(=O)(=O)[C@@H](C)C(=O)N(C)Cc1cccc(F)c1 48278331 OSZYTAOFFKSCJZ-HNNXBMFYSA-N 415.490 3.039 0 40 HGAB CCOC(=O)C1CCN(C(=O)CN2CCC[C@H]2Cc2c(F)cccc2Cl)CC1 48289701 JKONTYOLLWFNOD-INIZCTEOSA-N 410.917 3.288 0 40 HGAB O=C(NC[C@H](c1ccc(F)cc1)N1CCOCC1)c1ccc(Br)s1 49958532 DREHKUFZSZSMER-CQSZACIVSA-N 413.312 3.453 0 40 HGAB CC(C)[C@H](NC(=O)CN(Cc1cnn(C)c1)C(C)C)c1ccc2c(c1)OCCCO2 55920807 DHXAFUDABIPUSI-QHCPKHFHSA-N 414.550 3.305 0 40 HGAB O=C1COc2cc(S(=O)(=O)N3CCC[C@@H]3c3cccc(F)c3)c(Cl)cc2N1 56127615 ZCTSDBSQJBWCHG-OAHLLOKOSA-N 410.854 3.336 0 40 HGAB CCCCn1c(=O)c2sccc2n(CC(=O)Nc2nc3ccccc3s2)c1=O 57427354 SWMHNKJGBQEUJR-UHFFFAOYSA-N 414.512 3.273 0 40 HGAB O=C(Cn1cccc1-c1nc(-c2ccc3c(c2)OCO3)no1)NCc1ccc(F)cc1 57487109 MZEOKEQITRJKEQ-UHFFFAOYSA-N 420.400 3.389 0 40 HGAB CS(=O)(=O)c1ccc(Nc2cc(Cl)c(N)c(Cl)c2)c(S(C)(=O)=O)c1 59419489 RAPMUTBFABGWPV-UHFFFAOYSA-N 409.316 3.126 0 40 HGAB Cc1cc(=O)oc2cc(OCC(=O)c3ccc4c(c3)N(C)C(=O)CO4)c(Cl)cc12 61718319 HVQIMHJFJWQPMZ-UHFFFAOYSA-N 413.813 3.372 0 40 HGAB CCc1cccc(NC(=O)Cn2c(-c3ccccc3)nc3c(c2=O)CN(CC)CC3)c1 62007136 MISMGEUZMJYXNE-UHFFFAOYSA-N 416.525 3.489 0 40 HGAB Cc1c(C(=O)NC2CCCC2)nnn1-c1cccc2c1CCN(Cc1ccncc1)C2 69966771 LEGLPKWTIOOWHJ-UHFFFAOYSA-N 416.529 3.201 0 40 HGAB O=C(O)[C@H]1COC2(CCN(Cc3ccccc3)CC2)N1C(=O)c1ccc(Cl)cc1 71980575 IDEXTLXKDKYQPL-LJQANCHMSA-N 414.889 3.258 0 40 HGAB O=C(CCn1ncc(=O)c2ccccc21)Nc1c(F)cc(Br)cc1F 72305111 JXLLJIZGVVLFBS-UHFFFAOYSA-N 408.202 3.466 0 40 HGAB COCCNC(=O)c1sc2ccccc2c1[C@H]1CCN(C(=O)C(C)(C)OC)C1 72352350 WYQUBSDXOLBEEL-AWEZNQCLSA-N 404.532 3.018 0 40 HGAB O=S(=O)(c1ccc(F)cc1)N1CCC[C@H]1c1ccnc(Nc2nccs2)n1 72377729 HQGJVFNBKSFWBQ-HNNXBMFYSA-N 405.480 3.342 0 40 HGAB COc1ccc2[nH]c(C)c(-c3csc(NC(=O)[C@H](C)N4CCOCC4)n3)c2c1 72390418 KIMHXTBTUVAICU-ZDUSSCGKSA-N 400.504 3.268 0 40 HGAB Cn1ccnc1-c1c(-c2ccc(Cl)cc2)cnn1CCNC(=O)Cc1cccnc1 72391174 OZWAYWGOKNQZFT-UHFFFAOYSA-N 420.904 3.358 0 40 HGAB O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CC(c2nc(Cc3ccccc3)no2)C1 77190772 WIQHHOIHWWNPQR-UHFFFAOYSA-N 423.416 3.467 0 40 HGAB O=C(Cn1c(=O)oc2ccccc21)N[C@H]1CCC[C@@H](OC(=O)Nc2ccccc2)C1 77200203 IPUCYSVTNBELHA-DLBZAZTESA-N 409.442 3.271 0 40 HGAB CC[C@@H]1CN(C(=O)OCc2ccccc2)[C@H](CC)CN1C(=O)CCc1cnn(C)c1 78869538 NWXUMNLFIOQFLJ-NHCUHLMSSA-N 412.534 3.391 0 40 HGAB Cc1ccc2nc([C@H]3CCCN(C(=O)c4ccc(=O)n(-c5ccccc5)n4)C3)[nH]c2c1 89657592 AGJOWTAMZZFNBE-KRWDZBQOSA-N 413.481 3.437 0 40 HGAB COc1ccc([C@H](O)[C@@H]2CCCN2C(=O)CCc2nc(-c3ccsc3)no2)cc1 95432312 MKAIXMIZJFJEBC-PXNSSMCTSA-N 413.499 3.464 0 40 HGAB COc1ccc(CCc2nc(NC(=O)c3cc(-c4ccc(OC)cc4)[nH]n3)n[nH]2)cc1 95473528 ZHDUHYXIFTYWKE-UHFFFAOYSA-N 418.457 3.250 0 40 HGAB COC(=O)c1cccc(NC(=O)/C(=C\c2ccco2)n2nnnc2-c2ccccc2)c1 97994315 OXBAEOCSPXCFHL-XMHGGMMESA-N 415.409 3.357 0 40 HGAB Cc1cc(C)cc(N2C(=O)C[C@@H](c3c(C)nn(-c4nc5ccccc5[nH]4)c3O)C2=O)c1 100069141 COTKVYFBFDSOQI-INIZCTEOSA-N 415.453 3.427 0 40 HGAB COc1cccc(NC(=O)c2ccc(NC(=O)[C@H]3[C@@H]4C[C@H]5OC(=O)[C@H]3[C@H]5C4)cc2)c1 100648963 XGZYSVKKFIHUNY-WUTPFUBCSA-N 406.438 3.084 0 40 HGAB COC(=O)Cn1/c(=N/C(=O)c2ccc(Cl)cc2)sc2cc(NC(C)=O)ccc21 100876879 HQSQVAOKXHTRMT-QOCHGBHMSA-N 417.874 3.229 0 40 HGAB O=C(Nc1ccc(F)cc1)[C@@H](Cc1ccccc1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 102087341 REJQFAZLCHIQCS-BQEVRZRTSA-N 404.441 3.183 0 40 HGAB COc1cccc(N(CCCC(=O)N[C@@H](C)c2ccc(C)cc2)S(C)(=O)=O)c1 113967287 CIXAWSRTMFVDQP-KRWDZBQOSA-N 404.532 3.427 0 40 HGAB CC[C@@H](C)Nc1ccc(C(=O)O)cc1S(=O)(=O)NCCc1ccc(OC)cc1 217485230 HEXOHPMCJDVMFF-CQSZACIVSA-N 406.504 3.125 0 40 HGAB COc1ccc(CCNS(=O)(=O)c2cc(C(=O)O)ccc2NC(C)(C)C)cc1 217485425 TWMMMZWBDDRIOL-UHFFFAOYSA-N 406.504 3.125 0 40 HGAB COc1ccc(Cl)cc1NC(=O)[C@@H](C)N(c1ccccc1F)S(C)(=O)=O 220299414 LUOFGMLKRRCWBB-LLVKDONJSA-N 400.859 3.281 0 40 HGAB C[C@H](C(=O)Nc1ccccc1Br)N(c1cccc(F)c1)S(C)(=O)=O 220466885 WACJKUDMNYHIGL-LLVKDONJSA-N 415.284 3.381 0 40 HGAB O=C(Nc1ccc2sncc2c1)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 222538512 GHIUWJOXLCKDQD-AWEZNQCLSA-N 401.513 3.336 0 40 HGAB CC[C@@H](C(=O)NCCSC1CCCC1)N(c1ccc(F)cc1)S(C)(=O)=O 222538673 YRJOZQZRXAPRBR-KRWDZBQOSA-N 402.557 3.162 0 40 HGAB Cc1ccc(CN(CC(=O)N2CCC(Cc3ccccc3)CC2)S(C)(=O)=O)cc1 223086518 KVVRJLCGILWFJE-UHFFFAOYSA-N 414.571 3.238 0 40 HGAB CCS(=O)(=O)N(C)c1ccc(C(=O)Nc2nnc(SCC(C)C)s2)cc1 223356960 YVXQNMMFSICHTI-UHFFFAOYSA-N 414.578 3.324 0 40 HGAB Cc1cc(C(=O)NCc2cccc(C(F)(F)F)c2)ccc1N(C)S(C)(=O)=O 223624563 ZMOGOBPVQSAKKI-UHFFFAOYSA-N 400.422 3.340 0 40 HGAB COC(=O)c1cc(S(=O)(=O)NCc2ccc(OC(C)C)c(OC)c2)ccc1C 223858933 HQNVDQFSJDDMAB-UHFFFAOYSA-N 407.488 3.056 0 40 HGAB COC(=O)c1cc(S(=O)(=O)N[C@H]2CCCc3cc(OC)ccc32)ccc1Cl 225253549 OMLGZMHBZXGCSL-SFHVURJKSA-N 409.891 3.491 0 40 HGAB CC[C@H](C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)COc1ccc(OC)cc1 225420862 IMEAAMQNGYCWSO-OALUTQOASA-N 412.530 3.449 0 40 HGAB CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCCc1cccc(C)c1 225460710 INJUMQPEHQSCNU-NRFANRHFSA-N 418.559 3.297 0 40 HGAB COC[C@H](C)NC(=O)CN1CCC(c2cc(Nc3cccc(C)n3)cc(C)n2)CC1 257259798 LABLMRIPAUYSOJ-SFHVURJKSA-N 411.550 3.168 0 40 HGAB CC(C)(C)OC(=O)N1[C@@H](CNC(=O)c2ccccn2)C[C@@]2(C)[C@@H](O)CCCC[C@@H]12 257331673 XTTUCIULIVLSBS-YDGKCNFYSA-N 403.523 3.131 0 40 HGAB COc1ccc([C@H](C)NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)cc1 260616361 JFUCSNJZLSGEMG-HKUYNNGSSA-N 416.543 3.282 0 40 HGAB O=S(=O)(Nc1cnn(C[C@H]2CCCCO2)c1)c1ccc(OC(F)(F)F)cc1 390827806 KIWSIDKZJRQHFH-CQSZACIVSA-N 405.398 3.152 0 40 HGAB CCOc1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(OC)c(Cl)c2)cc1 408558440 IZYHUQPPBZNEKY-LBPRGKRZSA-N 412.895 3.053 0 40 HGAB Cc1ccc(C(=O)N2CCC3(CC2)CO[C@H](CN(C)[C@H]2CC[C@H](O)CC2)C3)cc1 585103462 GLBISVXFEJOGIG-FKBYEOEOSA-N 400.563 3.242 0 40 HGAB Cc1nc2ccccc2c(=O)n1CC1CCN(CC(=O)Nc2ccccc2F)CC1 1849180903 KDAFPUGAMAWLGU-UHFFFAOYSA-N 408.477 3.195 0 40 HGAB COc1ccc(Cc2nnc3c4cnn(-c5cccc(C)c5)c4ncn23)cc1OC 794130 WGNVKBIKXMTRTI-UHFFFAOYSA-N 400.442 3.380 0 40 HGAB O=C([C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)N1CCc2ccccc2C1 810072 VXYDAQCUPCURPI-GOSISDBHSA-N 418.946 3.326 0 40 HGAB Cc1ccc2cc([C@@H](c3nnnn3Cc3ccc(F)cc3)N3CCCC3)c(=O)[nH]c2c1 908890 IYWAEUYDSUXXHT-NRFANRHFSA-N 418.476 3.196 0 40 HGAB Cc1cc(C)n2c(Br)c(CSc3nnnn3-c3ccccc3)nc2n1 939030 HBEUXTWJWWCEIG-UHFFFAOYSA-N 416.308 3.377 0 40 HGAB Cc1cccc(OC[C@H](O)Cn2c(=N)n(CCN3CCCCC3)c3ccccc32)c1 1238861 DDXGBMILSYHELN-HXUWFJFHSA-N 408.546 3.156 0 40 HGAB CC(C)OCCCn1c(N)c(C(=O)OC[C@@H]2CCCO2)c2nc3ccccc3nc21 2222052 SNBWFCKJXNVUAS-HNNXBMFYSA-N 412.490 3.318 0 40 HGAB CCCOc1ccc(-c2nc3s/c(=C\c4cccc(OC)c4OC)c(=O)n3n2)cc1 2260136 DCWMABRTEOXMLF-AQTBWJFISA-N 423.494 3.172 0 40 HGAB C[C@H](OC(=O)CCc1nc2ccccc2s1)C(=O)NCc1ccc2c(c1)OCO2 2616280 XTEFLOOBTGHQJY-ZDUSSCGKSA-N 412.467 3.206 0 40 HGAB COC[C@@H](C)n1c(SCC(=O)NCc2ccc(F)cc2)nc2ccccc2c1=O 2625802 MAXPKAYNEPJMGO-CQSZACIVSA-N 415.490 3.152 0 40 HGAB CN(C)c1cccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c1 3193426 QERBFCQRUDTKKN-UHFFFAOYSA-N 421.950 3.445 0 40 HGAB C[C@]1(CCc2ccccc2)NC(=O)N(CC(=O)Nc2ccc(OC(F)F)cc2)C1=O 3299833 MPWSHWYAIVODFI-OAQYLSRUSA-N 417.412 3.170 0 40 HGAB COc1ccc(-c2nnc(SCc3cc(=O)n4ccsc4n3)o2)cc1OC 3303752 XUZYNPIZVVGVKJ-UHFFFAOYSA-N 402.457 3.116 0 40 HGAB COCCn1c(SCC(=O)N2CCCC[C@@H]2C)nc2sc(C)c(C)c2c1=O 4188139 NJAOMWNEYQBQJW-LBPRGKRZSA-N 409.577 3.214 0 40 HGAB CCOC(=O)c1c(NC(=O)c2ccc(OCC)cc2)sc2c1CCN(C(C)=O)C2 4281158 VVYWWQUEBGONFL-UHFFFAOYSA-N 416.499 3.480 0 40 HGAB COc1ccc(S(=O)(=O)NCCc2sc(-c3cccnc3)nc2C)c(F)c1 4346954 LGKAVJGBSCFPJU-UHFFFAOYSA-N 407.492 3.182 0 40 HGAB COc1cc2c(cc1OC)[C@H](C)N(C(=O)N[C@@H]1CC(=O)N(c3ccccc3)C1)CC2 4359949 QRSYOBGMQPEMBF-DOTOQJQBSA-N 409.486 3.138 0 40 HGAB Cc1cn2c3c(=O)n(Cc4ccc(Cl)cc4)c(=O)n(C)c3nc2n1C1CCCC1 4945196 UAVSYAMNRVSCEX-UHFFFAOYSA-N 411.893 3.275 0 40 HGAB CCOc1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(OC)cc3)C2)c1 4967563 RYSRHJSDUGVEOP-INIZCTEOSA-N 418.515 3.133 0 40 HGAB Cc1ccccc1-c1ccc(=O)n(CC(=O)Nc2ccc(C(=O)N3CCCC3)cc2)n1 4968109 VSSXYKOMQZSOET-UHFFFAOYSA-N 416.481 3.093 0 40 HGAB COC(=O)c1ccc(NC(=O)c2cccn(OCc3cccc(Cl)c3)c2=O)cc1 5054803 DAMGDCFXQLHAFY-UHFFFAOYSA-N 412.829 3.169 0 40 HGAB COc1ccc(-c2nnc(NC(=O)COc3ccccc3OC)s2)cc1OC 5478224 DZQSDNXSRYDIQI-UHFFFAOYSA-N 401.444 3.248 0 40 HGAB CCn1c(SCC(=O)OCC(=O)Nc2c(C)cccc2C)nnc1-c1ccco1 5568196 KSCUEHDDPRLDAY-UHFFFAOYSA-N 414.487 3.449 0 40 HGAB CCOc1ccc(C(=O)OCC(=O)NCCc2ccc(OCC)c(OCC)c2)cc1 5617451 OJYSESUXAWRCJE-UHFFFAOYSA-N 415.486 3.398 0 40 HGAB CC(=O)c1cccc(NCC(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)c1 6249772 HEBMEKTZXOWLOQ-UHFFFAOYSA-N 415.515 3.114 0 40 HGAB CCn1c(=S)sc2c(=O)n(CC(=O)N[C@@H](C)CCc3ccccc3)c(C)nc21 6669570 CADBYMBVMUDAQP-ZDUSSCGKSA-N 416.572 3.455 0 40 HGAB O=C(CSc1nnc(C2CC2)n1Cc1ccccc1)NCc1cn2ccccc2n1 7944440 FUESYWDIHFDNCH-UHFFFAOYSA-N 418.526 3.260 0 40 HGAB Cc1cccc(NC(=O)CSc2nnc(CC(=O)Nc3ccccc3F)n2C)c1 9306175 CIKDRPYXUYLSTL-UHFFFAOYSA-N 413.478 3.175 0 40 HGAB Cc1ccc(C(=O)OCC(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)cc1C 9425399 VOUTURLKWCZDNR-UHFFFAOYSA-N 424.906 3.003 0 40 HGAB COCCCn1cc(C(=O)Nc2cccc(C)n2)c2nn(-c3ccccc3)c(=O)c-2c1 9574165 MPZVLGBNRLWQLZ-UHFFFAOYSA-N 417.469 3.131 0 40 HGAB Cc1ccnc(SCc2cc(=O)c(OC(=O)/C=C/c3ccc4c(c3)OCO4)co2)n1 9829275 PKLYYRJFGIXPQF-HWKANZROSA-N 424.434 3.378 0 40 HGAB COc1ccc(-c2ccc(=O)n(CCCC(=O)NCc3cccs3)n2)cc1OC 11693345 BYWIQGWWORPXBQ-UHFFFAOYSA-N 413.499 3.086 0 40 HGAB O=C(/C=C/c1ccco1)N/C(=C\c1ccco1)C(=O)NCCc1nc2ccccc2[nH]1 12360100 DMFQCPHUICTDBF-GXZXSNFWSA-N 416.437 3.278 0 40 HGAB O=C(CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)Nc1nc(-c2ccccc2Cl)cs1 12600175 KOYRWDYYAZQPQS-RYUDHWBXSA-N 401.875 3.353 0 40 HGAB C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1c(C(=O)N2CCOCC2)oc2ccccc12 12780459 HCWBMQWDGNKJBA-CQSZACIVSA-N 412.417 3.450 0 40 HGAB COc1ccc(NC(=O)COc2ccc3nc4n(c(=O)c3c2)CCCCC4)c(OC)c1 12900375 NOIMPGHNNDQLQX-UHFFFAOYSA-N 423.469 3.158 0 40 HGAB biogenic Cc1ccc(NC(=O)C(=O)NCC(=O)Nc2ccccc2Oc2ccccc2)cc1 12905801 PZKHCZVTXDBAQD-UHFFFAOYSA-N 403.438 3.481 0 40 HGAB CCCn1ccn(CN2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)c1=S 12908556 JPZSDODOEJNDHS-UHFFFAOYSA-N 408.593 3.010 0 40 HGAB Cc1ccc(O[C@H](C)C(=O)N2CCN(CC(=O)Nc3ccccc3Cl)CC2)cc1 12976048 NNARYXHLWKYTEN-QGZVFWFLSA-N 415.921 3.199 0 40 HGAB O=C(CCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12)NCCN1CCOCC1 14185612 BKUPIZDOOVVKJA-UHFFFAOYSA-N 413.468 3.494 0 40 HGAB COc1cc(NS(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)c(OC)cc1Cl 15245936 QTYLKNORMVDOIC-UHFFFAOYSA-N 410.879 3.067 0 40 HGAB Cc1ccc(S(=O)(=O)N2c3ccc(C(=O)NC[C@H]4CCCO4)cc3C[C@@H]2C)cc1 15453084 JEAWFUNEALEXSJ-QFBILLFUSA-N 414.527 3.044 0 40 HGAB Cc1ccc(C(=O)O)cc1NC(=S)NC(=O)COc1ccc(Br)cc1 16347667 ZXENQIMGNNDWQC-UHFFFAOYSA-N 423.288 3.348 0 40 HGAB CCCS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2ccc(Br)cc2)n1 16753824 OZTGMKQIQJBUEL-UHFFFAOYSA-N 418.700 3.329 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC[C@@H]2c2nc(C)ncc2-c2cc(C)no2)cc1 19122573 DYSWCBOFPNXGPZ-GOSISDBHSA-N 414.487 3.283 0 40 HGAB Cc1ccc(-c2ccc(C[C@@]3(C(N)=O)CCCN(C(=O)[C@H]4CCCO4)C3)cc2)cc1 19212351 OPZVYEKBQSWESK-RDGATRHJSA-N 406.526 3.478 0 40 HGAB Cc1cnccc1C(=O)N1CCc2nc([C@@H]3CCCN3C3CCCCC3)[nH]c(=O)c2C1 19239484 ACMLHDGPYOCSDW-NRFANRHFSA-N 421.545 3.141 0 40 HGAB CCc1cc(C(F)(F)F)n2nc([C@H]3CCCN3C(=O)c3cnn(C)c3C)cc2n1 19522320 KNXHIYXYGFNYCA-OAHLLOKOSA-N 406.412 3.330 0 40 HGAB CCN1CCN(C(=O)c2cn(C)cn2)C[C@H](Cc2ccccc2-c2cccs2)C1=O 19527743 YLOGFSYLVOTEOP-SFHVURJKSA-N 422.554 3.312 0 40 HGAB CNC(=O)[C@@]1(Cc2cccc(-c3cccs3)c2)CCCN(C(=O)c2cnccn2)C1 19591254 ZFIYNDDGMYKLQL-HSZRJFAPSA-N 420.538 3.416 0 40 HGAB Cc1nc(N)c2c(C(F)(F)F)cc(C3CCN(C(=O)c4cccnc4)CC3)nc2n1 19743243 BUYPVEMGQZDJKJ-UHFFFAOYSA-N 416.407 3.349 0 40 HGAB CN(C)C(=O)c1cc([C@@H]2CCN(C(=O)COc3ccc(F)cc3)C2)nc2ccccc12 19754618 XOUVTBIFWMVLCL-MRXNPFEDSA-N 421.472 3.471 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@@H](C)c3ccc(F)cc3)C2)cc1 20041524 VXLDKUPTQULLKH-DOTOQJQBSA-N 420.506 3.112 0 40 HGAB O=C(COc1ccccc1F)Nc1ccc(N2CCOCC2)c(Br)c1 20611664 FMMDRUDQUNTBGM-UHFFFAOYSA-N 409.255 3.442 0 40 HGAB COc1ccc(CNC(=O)c2nc(Cn3c(C(F)F)nc4ccccc43)no2)cc1 21451945 XLOSYMPJAGMWGC-UHFFFAOYSA-N 413.384 3.344 0 40 HGAB COC(=O)c1cc(C(=O)OC)cc(-c2ccc(CNC[C@@H](O)c3ccccc3)o2)c1 22108599 NZWJRPYBXMSQOQ-HXUWFJFHSA-N 409.438 3.343 0 40 HGAB O=C(NCC1(N2CCOCC2)CCCCC1)c1cnn(Cc2ccccc2Cl)c1 22462708 YPMYFVZDTLBHHD-UHFFFAOYSA-N 416.953 3.350 0 40 HGAB O=C(C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1)N1CCc2ccccc21 22522313 GMWBHVKUJJWQDB-UHFFFAOYSA-N 418.946 3.471 0 40 HGAB CCc1nc2sc([C@@H](c3cccc(Cl)c3)N3CCN(CC)CC3)c(O)n2n1 22578010 HFVFERNNPALZEV-MRXNPFEDSA-N 405.955 3.439 0 40 HGAB O=C(NC[C@@H](c1cccc2ccccc12)N1CCOCC1)c1ccc2c(c1)OCO2 23106491 PHDYJJGDHWCVAD-NRFANRHFSA-N 404.466 3.372 0 40 HGAB COc1ccc([C@@H]2CCCN2C(=O)c2cccc(NS(C)(=O)=O)c2)c(OC)c1 23313132 ADPLFMYNVTVZRC-SFHVURJKSA-N 404.488 3.053 0 40 HGAB O=C(NCCC(c1ccccc1)c1ccccc1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 24561093 HBJAXRAKFJPJQJ-QHCPKHFHSA-N 421.541 3.241 0 40 HGAB CSc1ccc(S(=O)(=O)NCCSC(C)(C)C)cc1C(=O)N1CCCC1 26114925 ATHDSNXZDVGUNE-UHFFFAOYSA-N 416.634 3.455 0 40 HGAB COc1ccc(N2C[C@H](C(=O)Nc3ccccc3C(=O)NCC(C)C)CC2=O)cc1 28491795 LNFVMWMLGBJONY-MRXNPFEDSA-N 409.486 3.073 0 40 HGAB CON(C)S(=O)(=O)c1ccc(NC(=O)COc2cccc(C(C)(C)C)c2)cc1 32760074 RPEQWJPFLGFJDI-UHFFFAOYSA-N 406.504 3.184 0 40 HGAB CCN(Cc1ccc2c(c1)OCCO2)C(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1 32909342 UTCRJGRWZBPVTI-HXUWFJFHSA-N 410.470 3.238 0 40 HGAB CCN1CCc2nc(NC(=O)c3nn(CC(C)C)c(=O)c4ccccc34)sc2C1 33431845 OQXOKMQHGAIHKW-UHFFFAOYSA-N 411.531 3.139 0 40 HGAB COc1cc([C@H]2CC(=O)Nc3c2ncn3-c2ccc(F)cc2)c(OC)c2c1OCO2 36559064 WQWNKSWXTPWHAS-CYBMUJFWSA-N 411.389 3.231 0 40 HGAB Cc1cccc2c(=O)n(CCC(=O)Nc3c4c(nn3-c3ccccc3)CCC4)cnc12 36632675 WTIKTQYFKCAVGJ-UHFFFAOYSA-N 413.481 3.408 0 40 HGAB O=C1N[C@H](C(=O)Nc2cnc(-c3ccccc3)nc2)CS[C@H]1Cc1ccccc1F 40091062 UEAUGNWWTHAXKZ-OALUTQOASA-N 422.485 3.064 0 40 HGAB CC1CCC(N(C)C(=O)CS(=O)(=O)Cc2cc(Cl)c3c(c2)OCCO3)CC1 40106121 AJRMNFNQXOMUIC-UHFFFAOYSA-N 415.939 3.063 0 40 HGAB Cc1ccn(-c2ccc(C(=O)N(Cc3cccs3)[C@@H]3CCS(=O)(=O)C3)cc2)n1 40131041 MUWDHECYEZGYED-GOSISDBHSA-N 415.540 3.072 0 40 HGAB COc1ccc(CN(C(=O)c2cc(S(=O)(=O)N3CCCC3)c(C)o2)C2CC2)cc1 40131362 BKYNWMSEZPIKAT-UHFFFAOYSA-N 418.515 3.186 0 40 HGAB CCS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1ccc(-c2cnco2)cc1 40146382 ZWIXQMIHFVKGKD-LJQANCHMSA-N 411.483 3.057 0 40 HGAB Cc1ccc(NC(=O)CN2C(=O)[C@H](C)Oc3ccccc32)c(-c2nc(C3CC3)n[nH]2)c1 40150978 FDSQDJMRBAKSOT-AWEZNQCLSA-N 417.469 3.410 0 40 HGAB CS(=O)(=O)c1ccccc1C(=O)Nc1ccc(=O)n(Cc2ccccc2Cl)c1 46368662 IMVPHOXAYVTYFH-UHFFFAOYSA-N 416.886 3.206 0 40 HGAB COc1cc2c(cc1OC)CN(C(=O)c1cc(=O)c(OCc3ccccc3)co1)CC2 62001488 KXNIAKMHNWUKCC-UHFFFAOYSA-N 421.449 3.435 0 40 HGAB biogenic COc1cccc(-n2nnc(C(=O)NCc3ccc(F)cc3)c2-c2ccncc2)c1 65082965 STJIBPRHHVJCLY-UHFFFAOYSA-N 403.417 3.407 0 40 HGAB Cc1c(C(=O)NC[C@@](C)(O)CCC(C)C)sc2nc3n(c(=O)c12)CCCCC3 72304324 KDPKCOASGPUHCP-NRFANRHFSA-N 405.564 3.410 0 40 HGAB NC(=O)c1cccc(-c2cccc([C@@H]3CCCN(C(=O)Cc4ccncc4)C3)n2)c1 72349434 PLCGEBGUIGQKPI-HXUWFJFHSA-N 400.482 3.191 0 40 HGAB COC(=O)c1nc(NC(=O)c2cc(C)nc3c2c(C)nn3C)sc1CC(C)C 79486001 IKSRTHQQLNLIKP-UHFFFAOYSA-N 401.492 3.279 0 40 HGAB O=C(c1cc2c(c3ccccc3n2CC2CC2)n1-c1ncccn1)N1CCC[C@H](O)C1 96037453 BIHWIXVPMSSCTE-KRWDZBQOSA-N 415.497 3.382 0 40 HGAB COc1ccc(-c2nn([C@@H](C)C(=O)Nc3nc(C)c(C)s3)c(=O)cc2OC)cc1 96101012 CAUDUISANZMIAC-LBPRGKRZSA-N 414.487 3.201 0 40 HGAB COC(=O)c1ccc(NC(=O)CN2C(=O)c3ccccc3Oc3ncccc32)cc1 96118887 XMHOWRBGDYBEMH-UHFFFAOYSA-N 403.394 3.259 0 40 HGAB Cn1ccnc1COc1ccc(CS(=O)(=O)Cc2nc(-c3ccccc3)no2)cc1 97164545 BFWVUHYAEPMEIW-UHFFFAOYSA-N 424.482 3.164 0 40 HGAB CC(=O)c1cccc(NC(=O)CCCCCN2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@@H]3C2=O)c1 100394890 AQIZKCBRIYLJCU-KLNNNFBISA-N 420.509 3.441 0 40 HGAB Cc1cc(N2N=N[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]32)ccc1Br 101260637 ILDGNJMSYRLJCN-CABCVRRESA-N 403.211 3.394 0 40 HGAB CC(C)Oc1ccc(CNC(=O)CCCN(c2ccccc2F)S(C)(=O)=O)cc1 113965823 LHHLOGBLWFXYAO-UHFFFAOYSA-N 422.522 3.476 0 40 HGAB Cc1ccccc1NC(=O)COC(=O)c1cccc(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1 135682190 MYAOFNDOQHGKAF-KDURUIRLSA-N 418.449 3.246 0 40 HGAB C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)N[C@H](C)[C@@H]3C[C@@H]4CC[C@@H]3C4)c2)C[C@H](C)O1 195537533 ZUYSEEWWDITFOL-XDBFUARMSA-N 420.575 3.039 0 40 HGAB COc1ccc(CNC(=O)COc2ccc(Br)c(C)c2)c(OC)c1OC 218824731 WYNGPRTZOOXKEB-UHFFFAOYSA-N 424.291 3.479 0 40 HGAB CC(C)c1ccc(OCC(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)cc1 218960377 SHLZBNQFKUEQBH-UHFFFAOYSA-N 402.516 3.028 0 40 HGAB CN(CCNC(=O)CCCN(c1ccc(Cl)cc1)S(C)(=O)=O)c1ccccc1 219635770 XQGCHQGLYQKWED-UHFFFAOYSA-N 423.966 3.139 0 40 HGAB CCOC(=O)c1ccc(C)c(NC(=O)[C@H](C)N(c2cccc(C)c2)S(C)(=O)=O)c1 220143354 CXMOYMODWNTVIB-INIZCTEOSA-N 418.515 3.273 0 40 HGAB CN(C)S(=O)(=O)N(CC(=O)Nc1ccc2c3c(cccc13)CC2)c1ccccc1 223937611 ZTNIYHDFTXLAFG-UHFFFAOYSA-N 409.511 3.190 0 40 HGAB COc1ccc2cc(S(=O)(=O)NCc3nc(-c4cccs4)no3)ccc2c1 224648840 LQHJNFNQAMNPIC-UHFFFAOYSA-N 401.469 3.438 0 40 HGAB C[C@H]1CCC[C@@H](C)[C@]12NC(=O)N(CN1CCN(c3cccc(Cl)c3)CC1)C2=O 245237551 NDDPQEZSSRYSTK-JIPZTSHUSA-N 404.942 3.166 0 40 HGAB O=C(CC1(COc2ccccc2)CCN(C(=O)c2ccccc2)CC1)N1CCOCC1 257245535 IPYXVXWOZICYNO-UHFFFAOYSA-N 422.525 3.237 0 40 HGAB COc1ccc(C)cc1N([C@@H](C)C(=O)N[C@H](C)c1ccc(F)cc1)S(C)(=O)=O 260591756 LHZYFPXSWIVHBZ-CABCVRRESA-N 408.495 3.175 0 40 HGAB Cc1ncsc1CN1CCO[C@@]2(CCCC[C@H]2NC(=O)Cc2cccs2)C1 306143408 YBRFTXFXZHVXIY-QUCCMNQESA-N 405.589 3.386 0 40 HGAB CC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C 408561078 GITMSANHLJDEPL-MRXNPFEDSA-N 402.516 3.040 0 40 HGAB CC[C@@H](C)NS(=O)(=O)c1ccc(OCC(=O)N[C@H](C)CCc2ccccc2)cc1 408584832 VQXPIIBWPUMDLJ-QZTJIDSGSA-N 418.559 3.280 0 40 HGAB O=C(COc1ccc(S(=O)(=O)N2CCCCCC2)cc1)Nc1ccc(F)cc1 408627280 ZAIBGWPPPSGFFM-UHFFFAOYSA-N 406.479 3.408 0 40 HGAB Cn1c(=O)c2c(-c3cccc(Cl)c3)c3c(nc2n(C)c1=O)-c1ccccc1[C@@H]3O 408989950 URSZKWDLWAZJJX-IBGZPJMESA-N 405.841 3.015 0 40 HGAB COCCN1C(=O)S/C(=C/c2cc(Cl)c(OCC(=O)O)c(Cl)c2)C1=O 409144212 DWKYAUIAMNIKRD-IZZDOVSWSA-N 406.243 3.140 0 40 HGAB Cc1cc(C(=O)N[C@H]2CC3(CCN(C)CC3)Oc3ccccc32)c2c(C)nn(C)c2n1 520495536 APURYWHWMJIMKO-IBGZPJMESA-N 419.529 3.303 0 40 HGAB C[C@@H]1c2nc(CC(=O)NC3CCCC3)cn2CCN1C(=O)c1cc2ccccc2[nH]1 585097666 MHEFFZJTQSSFGH-OAHLLOKOSA-N 405.502 3.183 0 40 HGAB O=C(c1cc2ccccn2c1)N1CCC[C@H](Oc2ncc(Br)cn2)C1 585342227 NQIDNYYRJLYKHC-INIZCTEOSA-N 401.264 3.175 0 40 HGAB CCCCCN1CCC2(CCCCOCCCNC(=O)[C@H]([C@@H](C)CC)NC2=O)CC1 643581701 SFUOCZBNQLIVNF-SFTDATJTSA-N 423.642 3.497 0 40 HGAB Cc1ccc(CN2CCC3(CC2)OC(=O)N2CCN(Cc4ccccc4)C[C@H]23)cn1 1549162379 PPNSHECXFBAGMN-QFIPXVFZSA-N 406.530 3.061 0 40 HGAB O=C1COC[C@]2(CN(Cc3ccc(C(F)(F)F)cc3)CCO2)CN1c1ccccc1 2037984197 UAODCKVSFRHWOG-NRFANRHFSA-N 420.431 3.340 0 40 HGAB COc1ccc(NC(=O)Cn2nnc(-c3ccc(OCC(C)C)cc3)n2)c(OC)c1 878240 IXRXLGCIOLDXCP-UHFFFAOYSA-N 411.462 3.031 0 40 HGAB COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)N3CCC[C@H](C)C3)cc2c1 1224898 TUBPMSNWVCYLKJ-BTYIYWSLSA-N 422.533 3.460 0 40 HGAB C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)N(Cc1cccnc1)C(=O)Cc1ccccc1 1420037 FXLUNPOJQFYJDM-KRWDZBQOSA-N 417.465 3.409 0 40 HGAB COc1cc(-c2nnc(SCC(=O)NC3CCCCC3)o2)cc(OC)c1OC 2720407 SPCBQFDJYCKFTN-UHFFFAOYSA-N 407.492 3.303 0 40 HGAB CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)OCC(=O)N(C)Cc1ccccc1 3259493 PZNUABPFTIKWJD-FQEVSTJZSA-N 416.905 3.296 0 40 HGAB CCOC(=O)COc1ccccc1/C=C1/C(=O)N(C2CCCCC2)C(=S)N1C 3662752 NZGKXLKMPJWQLN-LGMDPLHJSA-N 402.516 3.361 0 40 HGAB Cc1cc(O[C@H](C)C(=O)N[C@H](C(=O)O)c2ccccc2)c2c3c(c(=O)oc2c1)CCC3 4037438 DSAGYHKERFGOOJ-SZNDQCEHSA-N 421.449 3.300 0 40 HGAB biogenic Cc1ccc2cc(CN(CCO)C(=S)NCCc3ccccc3)c(=O)[nH]c2c1C 4132276 ADJKSENBQOJHGI-UHFFFAOYSA-N 409.555 3.056 0 40 HGAB Cc1ccc(C(=O)COc2ccc(NC(=O)[C@@H]3[C@H]4C(=O)O[C@@H]5C[C@H]3C[C@H]45)cc2)cc1 4512327 OASUXXJVOJAEPK-ZVTWKCCJSA-N 405.450 3.393 0 40 HGAB COC(=O)CN1C(=O)S/C(=C/c2ccc(OCc3ccccc3)c(OC)c2)C1=O 4694674 UUCFCSCXNMVUDZ-WOJGMQOQSA-N 413.451 3.484 0 40 HGAB O=C(NCc1ccccc1Cl)c1ccc2c(=O)n(-c3ccccc3)c(=O)[nH]c2c1 4792887 WLBBWDZUFXVBAD-UHFFFAOYSA-N 405.841 3.262 0 40 HGAB NS(=O)(=O)c1ccc2nc(NC(=O)CCSc3ccc(F)cc3)sc2c1 5192563 DZYLSLRTYUSCEY-UHFFFAOYSA-N 411.505 3.204 0 40 HGAB Cc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccc(Cl)cc2Cl)cc1 5443428 QTWMUYUPALGCOV-UHFFFAOYSA-N 401.315 3.239 0 40 HGAB O=C(O)[C@@H]1CN(S(=O)(=O)c2cccc(C(F)(F)F)c2)c2cc(Cl)ccc2O1 6183034 ZMWGCOAFDFFOGO-AWEZNQCLSA-N 421.780 3.400 0 40 HGAB O=C(NCc1cccc(C(F)(F)F)c1)c1ccc(S(=O)(=O)N2CCCC2)cc1 6647822 VUQWQEWLIYBEBS-UHFFFAOYSA-N 412.433 3.420 0 40 HGAB O=C(CSc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)NCCC1=CCCCC1 6653678 QUBYSLHLKJKQTQ-UHFFFAOYSA-N 409.515 3.208 0 40 HGAB O=c1cc(-c2ccccc2)c2ccc3c(c2o1)CN(CCCN1CCOCC1)CO3 6670455 PTRGIJRBLIOLND-UHFFFAOYSA-N 406.482 3.334 0 40 HGAB biogenic O=C(COC(=O)/C=C/c1cccc(C(F)(F)F)c1)NC(=O)NCc1ccccc1 6930020 JRXHOWBESLJXFC-MDZDMXLPSA-N 406.360 3.288 0 40 HGAB COc1ccc(NC(=O)c2ccc(OC)c(S(=O)(=O)NC(C)C)c2)cc1Cl 8475911 SNHYHPYVUNFNFB-UHFFFAOYSA-N 412.895 3.296 0 40 HGAB O=C(COc1ccc(Cl)cc1)Nc1c2c(nn1-c1ccc(F)cc1)C[S@](=O)C2 9413456 VTEWQKHSKRZAFJ-NDEPHWFRSA-N 419.865 3.445 0 40 HGAB Nc1c(C(=O)NCc2ccccc2Cl)nnn1Cc1ccc(Br)cc1 9938903 ZOLUUDGLRUYRJR-UHFFFAOYSA-N 420.698 3.255 0 40 HGAB CCc1nnc2sc(-c3ccc(OC)c(NS(=O)(=O)c4ccccc4)c3)nn12 10010296 MTJXZYXIWXRALG-UHFFFAOYSA-N 415.500 3.225 0 40 HGAB CCOC(=O)c1ccccc1NC(=O)[C@@H](C)N(c1cc(C)ccc1C)S(C)(=O)=O 10332820 JROLQBGCAUSEAM-MRXNPFEDSA-N 418.515 3.273 0 40 HGAB COC[C@H](C)NC(=O)CN1c2ccc(C(C)C)cc2-c2ccccc2S1(=O)=O 11120191 QHFPWRNNSDTENB-HNNXBMFYSA-N 402.516 3.137 0 40 HGAB COc1ccc(S(=O)(=O)N2CCC(NC(=O)CCC3CCCCC3)CC2)cc1 11191887 NYLPMJHWIYNBBV-UHFFFAOYSA-N 408.564 3.325 0 40 HGAB COc1ccccc1C1=NN(C(=O)CCC(=O)O)[C@@H](c2ccc3nccnc3c2)C1 11692457 KFCUJVHSEUFSPA-LJQANCHMSA-N 404.426 3.181 0 40 HGAB COc1ccccc1CC(=O)N1CCC[C@@H]([C@@H]2C[C@H](C(F)(F)F)n3ncnc3N2)C1 12181932 QWHYORVVKVRAQA-HLLBOEOZSA-N 423.439 3.056 0 40 HGAB CN(C)c1ccc([C@H](CNC(=O)CN2CCCC2=O)c2c[nH]c3ccccc23)cc1 12534809 VOLAEYVLINGVCR-FQEVSTJZSA-N 404.514 3.104 0 40 HGAB CCN(CC)c1ccc(C(=O)N2CCC(NS(=O)(=O)c3cccs3)CC2)cc1 12631904 LNQVJENFURFASY-UHFFFAOYSA-N 421.588 3.177 0 40 HGAB O=C(CN1CCC(C(=O)N2CCCCC2)CC1)NCCCSc1ccccc1 12758547 SNOZNDTTZVIAFT-UHFFFAOYSA-N 403.592 3.010 0 40 HGAB Cc1ccc(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1Cl 12769628 DXJOAFIDUXCCOI-UHFFFAOYSA-N 424.906 3.117 0 40 HGAB CSc1ccc(CN(C)C(=O)CCNS(=O)(=O)c2ccc(C)c(C)c2)cc1 12879571 ZURAUNZBWJGKNX-UHFFFAOYSA-N 406.573 3.352 0 40 HGAB CC(C)[C@@H](CNC(=O)c1cccc(NC(=O)c2cccs2)c1)N1CCOCC1 12935995 IJWYTXKCCKHQIB-GOSISDBHSA-N 401.532 3.087 0 40 HGAB CC(=O)N[C@H](CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)c1ccc(C)cc1 12989969 ILLINZAHNDHDIH-JOCHJYFZSA-N 407.514 3.440 0 40 HGAB COc1ccc(C(=O)O)cc1S(=O)(=O)Nc1ccc(C)cc1Br 13358964 YQARMQXMDCGPHN-UHFFFAOYSA-N 400.250 3.265 0 40 HGAB CCCCOc1ccc(C(=O)NCc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)cc1 13722723 QDSOSNWHXFYDEB-UHFFFAOYSA-N 417.469 3.218 0 40 HGAB CC(C)c1nnc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc4ccccc4c3)C2=O)s1 16047101 HLIRYEJMZLWFAD-NRFANRHFSA-N 423.498 3.220 0 40 HGAB O=C1c2ccccc2C(=O)N1Cc1ccc(S(=O)(=O)Nc2ccccc2F)cc1 16839900 HINLQHXMIFBUKI-UHFFFAOYSA-N 410.426 3.423 0 40 HGAB CCOC(=O)c1sc2cccc(F)c2c1COC(=O)c1nc2nccc(C)n2n1 17537011 GKFRLDHBCCCJCX-UHFFFAOYSA-N 414.418 3.320 0 40 HGAB Cc1cc(-c2cnc(N3CCN(C)CC3)nc2C2CCN(Cc3ccco3)CC2)on1 19123249 RSZOYMQOAQOFLM-UHFFFAOYSA-N 422.533 3.164 0 40 HGAB c1cncc(CN2CCC[C@H](c3nc(N4CCOCC4)ncc3-c3ccncc3)C2)c1 19339029 LHKQVTJNOUOCKG-NRFANRHFSA-N 416.529 3.150 0 40 HGAB CCCn1ncc(CN2CCC[C@H](c3ncc(Cl)cc3S(C)(=O)=O)C2)c1C 19525939 BIZRJIAOJTXNLL-HNNXBMFYSA-N 410.971 3.433 0 40 HGAB CCNC(=O)[C@@]1(Cc2cccc(-c3cccs3)c2)CCN(C(=O)[C@H]2CCCO2)C1 19528864 DCIGSEPPHBJXRF-AUSIDOKSSA-N 412.555 3.491 0 40 HGAB COc1ccc(-c2nnc3n2[C@H]2CCCC[C@@H]2N(C(=O)c2ccccn2)C3)cc1OC 19561681 WEMZQSXEYMKMQH-ROUUACIJSA-N 419.485 3.497 0 40 HGAB Cc1cc(Cc2cccc(F)c2)cc(C2CCN(C(=O)[C@H]3CC(=O)N(C)C3)CC2)n1 19691559 LEPKUVMKQXGPLI-FQEVSTJZSA-N 409.505 3.304 0 40 HGAB COc1ccc(-c2cnc(N(C)C)nc2[C@@H]2CCCCN2C(=O)c2ccnn2C)cc1 19694349 PMMHJOYIVOESJT-IBGZPJMESA-N 420.517 3.319 0 40 HGAB CC(=O)N1CCc2nc([C@@H]3CCCN(C)C3)nc(N3CCC(C(C)(C)C)CC3)c2C1 19711296 MXRUXZBWFUYBGO-GOSISDBHSA-N 413.610 3.453 0 40 HGAB O=C(Nc1cccc(-n2cccn2)c1)[C@@H]1CC(=O)N(CCc2c[nH]c3ccccc23)C1 19718215 DQCYYDNOASZMBZ-GOSISDBHSA-N 413.481 3.383 0 40 HGAB Cc1nc(CC(=O)N2CCC[C@H](c3cc(C(F)(F)F)c4c(N)n[nH]c4n3)C2)cs1 19742154 HTCYQLVHGSTCFJ-JTQLQIEISA-N 424.452 3.273 0 40 HGAB CCN(CC(=O)N[C@H](C)c1ccccc1OC)S(=O)(=O)c1ccc(Cl)cc1 20014098 DUOMTBBGGYNVDB-CQSZACIVSA-N 410.923 3.237 0 40 HGAB CCOc1ccccc1CNC(=O)COCc1cc(-c2ccc3c(c2)OCO3)on1 20190142 FILUZGARKAPDMN-UHFFFAOYSA-N 410.426 3.302 0 40 HGAB Cc1cccc(C)c1NC(=O)Cn1c(=O)cc(C(=O)N2CCCC2)c2ccccc21 20418167 OVIBASIDIOIUCX-UHFFFAOYSA-N 403.482 3.493 0 40 HGAB C[C@H](Sc1nnc2[nH]c3ccccc3n12)C(=O)N1CCN(Cc2ccccc2)CC1 20980966 LZHKKHJTPWRNHK-INIZCTEOSA-N 420.542 3.036 0 40 HGAB COc1cc(CCC(=O)N2CCN(Cc3cccs3)CC2)cc(OC)c1OC 21929660 WLTSOWGNOBYJIJ-UHFFFAOYSA-N 404.532 3.051 0 40 HGAB COc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccc(C)cc2C)c1 22229723 KWWOPCCHDKBCFJ-IBGZPJMESA-N 402.516 3.412 0 40 HGAB CCCN(CCC)S(=O)(=O)c1cccc(C(=O)NC2CCN(C(C)C)CC2)c1 22989517 CQCFZXILQIBFCQ-UHFFFAOYSA-N 409.596 3.100 0 40 HGAB O=C([C@@H]1COc2ccccc2O1)N1CCN(Cc2csc(-c3ccccc3)n2)CC1 23882377 MHTAGJCXLRWREF-NRFANRHFSA-N 421.522 3.294 0 40 HGAB C[C@@H](c1nc(C(C)(C)C)no1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 23903815 UPIDCDFKWNJGQS-NSHDSACASA-N 418.972 3.150 0 40 HGAB O=C(CSCCN1C(=O)c2ccccc2C1=O)Nc1ccccc1Br 24065105 NXLGJFGQSCPQTO-UHFFFAOYSA-N 419.300 3.417 0 40 HGAB Cc1cc(=O)c(C(=O)NC[C@H]2CCN(c3ccccc3)C2)nn1-c1ccc(Cl)cc1 24815548 SHBLDUNPDACGLY-QGZVFWFLSA-N 422.916 3.451 0 40 HGAB CCCCN(C(=O)C1CCN(S(=O)(=O)c2ccn(C)c2)CC1)c1ccccc1 25066143 WNSPIYMZFFLWAT-UHFFFAOYSA-N 403.548 3.259 0 40 HGAB COC(=O)c1ccc2[nH]c3c(c2c1)CN(C(=O)c1[nH]c2c(c1C)C(=O)CCC2)CC3 25452885 SLEXUTVLYZSCNR-UHFFFAOYSA-N 405.454 3.309 0 40 HGAB COc1ccccc1N1C(SCc2cccc(F)c2)=N[C@H]2CS(=O)(=O)C[C@H]21 32639849 OPNUPEKGGCYBGE-DOTOQJQBSA-N 406.504 3.109 0 40 HGAB COc1cc(OC)cc(C2=N/C(=C/c3cc(Cl)c4c(c3)OCCO4)C(=O)O2)c1 32714716 AVIKHYDTGAZVGM-OMCISZLKSA-N 401.802 3.473 0 40 HGAB COCCN(Cc1nnc(-c2cccs2)o1)C(=O)COc1ccc2c(c1)CCC2 32983433 PISNYXQWWVKBCF-UHFFFAOYSA-N 413.499 3.341 0 40 HGAB Cc1ccc(N2C[C@@H](C(=O)N3CCC[C@@H]3c3ccc4c(c3)OCCO4)CC2=O)cc1 32987972 NQKHHBFXVAALJZ-AZUAARDMSA-N 406.482 3.483 0 40 HGAB O=C(c1cc(Cl)c2c(c1)OCCO2)N1CCC[C@@H]1c1nnc2n1CCCCC2 40080228 KOLVUOCSDKKHBP-OAHLLOKOSA-N 402.882 3.406 0 40 HGAB Cc1ccc(C)c(S(=O)(=O)c2c(N3CCCCC3)sc3c(=O)[nH]cnc23)c1 40478937 OWUJMWIVOUCRRL-UHFFFAOYSA-N 403.529 3.425 0 40 HGAB CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)cc2Br)C[C@H]1C(=O)O 42783186 JVZAIVJFUOYSSF-JQWIXIFHSA-N 404.232 3.430 0 40 HGAB CCOc1ccc(N(CC(=O)N(C)Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1 44905064 JCJZMFIRVGTSLV-UHFFFAOYSA-N 410.923 3.163 0 40 HGAB O=C(NC[C@@H]1CCCO1)Nc1ccc(NC(=O)c2ccccc2-n2cccn2)cc1 46918378 HMYWMIAXQJUBAW-SFHVURJKSA-N 405.458 3.425 0 40 HGAB O=C(Nc1nnc(COc2ccccc2)s1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 49550900 CTFVJPCBMHQMIK-ZDUSSCGKSA-N 412.446 3.248 0 40 HGAB O=C(CN1CCN(c2cccc(C(F)(F)F)c2)CC1)Nc1ccc2c(c1)OCCO2 57291849 UTUNMYKNJIIQHY-UHFFFAOYSA-N 421.419 3.237 0 40 HGAB COc1ccc(Cl)cc1NC(=O)Cn1c(=O)n(CC(C)C)c(=O)c2sccc21 57486110 OLPFKXVWMHGZPQ-UHFFFAOYSA-N 421.906 3.181 0 40 HGAB O=C(NC[C@H](c1ccco1)N1CCCCC1)Nc1cccc(Cn2cccnc2=O)c1 57997374 FUDHJYVQNMFTPI-HXUWFJFHSA-N 421.501 3.233 0 40 HGAB Cc1noc2nc(-c3ccco3)cc(C(=O)NC[C@@H](O)COc3ccc(F)cc3)c12 58016383 JEBRWXZMPHOWSD-CQSZACIVSA-N 411.389 3.100 0 40 HGAB CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1cc(C)nc2[nH]nc(C)c12 58218690 OSGWHLJYIAPEDP-UHFFFAOYSA-N 419.407 3.483 0 40 HGAB CC(=O)[C@@H]1CC(C(=O)NC[C@@H](c2ccco2)N2CCCCC2)=NN1c1ccccc1 58304522 NEAOACMKSLQBER-SFTDATJTSA-N 408.502 3.147 0 40 HGAB O=C(CN1C(=O)c2ccccc2CS1(=O)=O)N(C1CCCCC1)C1CCCCC1 58420564 MAZVYJSTDAXILJ-UHFFFAOYSA-N 418.559 3.466 0 40 HGAB O=C(Cc1csc(NC(=O)c2ncccn2)n1)Nc1cccc(C(F)(F)F)c1 61969154 UDTWBSFZCRDNEK-UHFFFAOYSA-N 407.377 3.385 0 40 HGAB CSc1ccc([C@H]2NC(=O)N(CC(=O)Nc3ccccc3C)C3=C2C(=O)OC3)cc1 71326827 GESLHRQJDGTAMW-HXUWFJFHSA-N 423.494 3.233 0 40 HGAB Cc1c(C(=O)Nc2cc(Cl)cc(Cl)c2)nnn1CC(=O)Nc1nccs1 71327147 PTRBXTYEHGXICW-UHFFFAOYSA-N 411.274 3.241 0 40 HGAB COc1ccc(-c2cccc([C@@H]3CCCN(S(=O)(=O)c4cn(C)cn4)C3)n2)cc1 72350321 LOFBJGPLRFRHTH-QGZVFWFLSA-N 412.515 3.059 0 40 HGAB C[C@H](CC(=O)NC1CCN(CC2(c3ccccc3F)CCCC2)CC1)n1cncn1 72393492 YPGRNTCWPGYGKO-GOSISDBHSA-N 413.541 3.461 0 40 HGAB COc1cccc(OC)c1C(=O)Nc1ccc(-n2cc(Br)cn2)nc1 72401218 DLGIYUHAECIZCS-UHFFFAOYSA-N 403.236 3.299 0 40 HGAB O=c1ccc2cc(S(=O)(=O)NCCc3nc4ccccc4n3C(F)F)ccc2o1 79017735 BTSSSXQXMNMRKQ-UHFFFAOYSA-N 419.409 3.059 0 40 HGAB CC(=O)Nc1cc(C(=O)N2CCC(CCN3C[C@H](C)O[C@@H](C)C3)CC2)ccc1C 79022398 NHCJYOOQAJHWBR-ROUUACIJSA-N 401.551 3.305 0 40 HGAB Cc1cc(NC(=O)[C@H](C)c2ccc(CC(C)C)cc2)n([C@H]2CCS(=O)(=O)C2)n1 79494421 CHDOCTACCZVHAP-APWZRJJASA-N 403.548 3.492 0 40 HGAB Cc1cc(C)nc(Nc2ccc(C(=O)N3CCN(CCc4ccncc4)CC3)cc2)n1 95475913 WAVZZACODQHWRV-UHFFFAOYSA-N 416.529 3.233 0 40 HGAB C[C@H](NCc1ccccc1-n1ccnc1)[C@H]1CN(C(=O)OCc2ccccc2)CCO1 96013572 CZBNFNZDZMBRRF-WMZHIEFXSA-N 420.513 3.388 0 40 HGAB CCOC(=O)CN1C(=O)S/C(=C\c2cc(Br)cc(Cl)c2O)C1=O 106742444 KWWNHVQBLGUDEL-WMZJFQQLSA-N 420.668 3.408 0 40 HGAB O=C(N[C@H]1C[C@@H]2CC[C@@H]1C2)C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1 113947746 WITQZSQDGPOCFB-OGWOLHLISA-N 410.967 3.187 0 40 HGAB Fc1cc2c(cc1Br)-c1nc(I)cn1CCO2 204417348 PJELOMRFWGRHOI-UHFFFAOYSA-N 408.996 3.449 0 40 HGAB COc1ccccc1NC(=O)CN(c1ccc(C(F)(F)F)cc1)S(C)(=O)=O 220040880 GKELNAPBDTYXFL-UHFFFAOYSA-N 402.394 3.119 0 40 HGAB CCc1ccc(NC(=O)[C@@H](C)N(c2ccc(OC)c(OC)c2)S(C)(=O)=O)cc1 220228621 LBAZWYVUGUAMKV-CQSZACIVSA-N 406.504 3.059 0 40 HGAB C[C@@H](C(=O)Nc1ccccc1Br)N(c1ccccc1F)S(C)(=O)=O 220296256 CXFDAVZGSDNRFK-NSHDSACASA-N 415.284 3.381 0 40 HGAB CC[C@@H](C)NC(=O)c1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)OC)c1 223799863 GRARFSUFXIHNNR-CQSZACIVSA-N 404.488 3.111 0 40 HGAB COC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)c1 223840128 CUYDWBVKFMJXFR-UHFFFAOYSA-N 416.499 3.209 0 40 HGAB C[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCCc1ccc(Cl)cc1 224089451 GZEZDSMOVAPARW-OAHLLOKOSA-N 424.950 3.252 0 40 HGAB Cc1ccc(N([C@@H](C)C(=O)Nc2nnc(-c3ccccc3)s2)S(C)(=O)=O)cc1 225110472 MCMNSECDKWQGPU-AWEZNQCLSA-N 416.528 3.307 0 40 HGAB COc1cc(Sc2ncccn2)nc(NC(=S)NCc2ccc(F)cc2)n1 225947003 KQNHFYGHJWWCJM-UHFFFAOYSA-N 402.480 3.052 0 40 HGAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)N(C)c2ccc(C)c(C)c2)cc1C 226060579 DKXOBFMXPDKWMN-UHFFFAOYSA-N 404.532 3.294 0 40 HGAB O=C(CSc1nc2ccccc2o1)NCc1nnc2ccc(-c3cccs3)nn12 238950160 WUUKJRCVCAZHDX-UHFFFAOYSA-N 422.495 3.403 0 40 HGAB O=C(C[C@H]1CN(C(=O)Cc2cccnc2)CC[C@@H]1Oc1ccccc1)N1CCCCC1 257241160 HWVLLBNGNRIYGM-GMAHTHKFSA-N 421.541 3.323 0 40 HGAB Cc1cc(Nc2ncccn2)cc(C2CCN(CC(=O)N3CCC(C)CC3)CC2)n1 257243703 IIEQCBPQPRBYLM-UHFFFAOYSA-N 408.550 3.362 0 40 HGAB CS(=O)(=O)c1ccc2sc(NC(=O)c3ccc(F)c(-n4cccn4)c3)nc2c1 257282253 OTAVNURDIXCGNB-UHFFFAOYSA-N 416.459 3.277 0 40 HGAB CN([C@@H](C(=O)N[C@H]1CC(C)(C)Oc2ccccc21)c1ccccc1)S(C)(=O)=O 260815151 SRSXGYBVAWUADZ-PKOBYXMFSA-N 402.516 3.038 0 40 HGAB COc1ccc(-c2cnc3n2C[C@@]2(CCN(Cc4ccc5c(c4)OCO5)C2)OC3)cc1 306144280 ZBBMJHOKKDIWCX-DEOSSOPVSA-N 419.481 3.462 0 40 HGAB O=C(Cc1ccccc1Br)NCc1nnc2n1CC[C@@H](C(F)(F)F)C2 390829401 DZAITOFYXKUIGZ-LLVKDONJSA-N 417.229 3.024 0 40 HGAB NC(=O)[C@@H](CNC(=O)[C@@H]1CCCCN1Cc1ccccc1)Cc1ccccc1Cl 531292837 XMGCAHBYDLJFRU-CTNGQTDRSA-N 413.949 3.155 0 40 HGAB COc1ccc(Br)c(C(=O)NCc2ccc(-c3ccnn3C)nc2)c1 575621424 OEAMQNFJGFYEJR-UHFFFAOYSA-N 401.264 3.183 0 40 HGAB Cc1nc(/C=C/C(=O)N2CCC[C@@H](c3nccnc3Nc3ccccn3)C2)cs1 585291218 LTFZATSKXJKCQJ-KXPUMZMLSA-N 406.515 3.800 0 40 HGAB O=C(Nc1ccc(F)cc1)C1CCN(S(=O)(=O)c2ccc(OC3CC3)cc2)CC1 1661836401 ONUZBJYNOQQKPW-UHFFFAOYSA-N 418.490 3.406 0 40 HGAB C[C@@H]1CN(CCCn2c(-c3cccnc3)nnc2N(C)Cc2ccco2)CCCO1 1693834918 AXKSCYMOVAZIMH-GOSISDBHSA-N 410.522 3.070 0 40 HGAB Cc1nc(N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cc(-n2cccn2)n1 1889180535 YVNCBDNEGZBLMB-UHFFFAOYSA-N 423.830 3.365 0 40 HGAB Cc1ccc(OC[C@]2(O)CCCN(CC(=O)Nc3nnc(C(C)C)s3)C2)cc1C 2037916128 PZZYALZBJZNOLV-NRFANRHFSA-N 418.563 3.123 0 40 HGAB Cn1c(CNC(=O)c2cccs2)nnc1SCC(=O)Nc1ccccc1Cl 633999 NIORQHDDDYFSPD-UHFFFAOYSA-N 421.935 3.191 0 40 HGAB O=C(NCc1ccco1)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1 1105934 NXZFDNXXKASUBF-INIZCTEOSA-N 403.438 3.201 0 40 HGAB COc1ccc([C@H](C(=O)NC2CCCCC2)N(C(=O)c2csnn2)C2CC2)cc1 1378500 VJOJSDCFUHHETQ-LJQANCHMSA-N 414.531 3.342 0 40 HGAB C[C@H](OC(=O)/C=C/c1ccc(Br)o1)C(=O)Nc1ccc2c(c1)OCCO2 3335675 RSGDTCNWBAIICD-ZPMKCOPCSA-N 422.231 3.397 0 40 HGAB Cc1cc(C)n2nc(C(=O)Nc3nc4c(s3)CN(Cc3ccccc3)CC4)nc2n1 3538478 DNQRDQVVUFEHRU-UHFFFAOYSA-N 419.514 3.008 0 40 HGAB C[C@@H](OC(=O)c1cccc(I)c1)C(=O)N1CCc2ccccc21 3544607 BYXCNLZHSZFJBK-GFCCVEGCSA-N 421.234 3.426 0 40 HGAB COCCCn1c(SCC(=O)Nc2ccc(F)cc2)nnc1-c1ccncc1 4169266 LLDUIHJFYCSXRI-UHFFFAOYSA-N 401.467 3.247 0 40 HGAB O=C(CCCC(=O)N(CC(=O)NC1CCCC1)C1CCCCC1)Nc1ccccn1 4240902 BPAKKBUEWMSKFR-UHFFFAOYSA-N 414.550 3.411 0 40 HGAB CC(C)CC(=O)NC(=S)Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1 4621602 YAXJXAINTKHPAB-UHFFFAOYSA-N 419.572 3.067 0 40 HGAB COc1cccc(C(=O)NC2CCN(CC(=O)Nc3ccccc3Cl)CC2)c1 4909108 YWGAUHIZIJPASW-UHFFFAOYSA-N 401.894 3.182 0 40 HGAB Cc1ccc(Cc2nn3c(=O)/c(=C\c4ccc(C(C)(C)C)cc4)sc3nc2=O)cc1 5006711 IMSCKVDPLJWJAU-XSFVSMFZSA-N 417.534 3.256 0 40 HGAB O=C(COc1ccc(C(=O)c2ccccc2)cc1)NC[C@H]1COc2ccccc2O1 5215549 LJMGZSGUYRNVLO-FQEVSTJZSA-N 403.434 3.253 0 40 HGAB O=C(CSc1nnnn1-c1ccc2ccccc2c1)Nc1ccc2nccnc2c1 5346465 GCTZUXKHGAQQCI-UHFFFAOYSA-N 413.466 3.490 0 40 HGAB Cc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccc(C)c(Cl)c3)CC2=O)cc1 6081716 QZDNZIPKQJAXCS-OAHLLOKOSA-N 400.862 3.492 0 40 HGAB CCCCc1ccc(NC(=O)CN(c2ccc(OC)c(OC)c2)S(C)(=O)=O)cc1 6652943 GUSLPXRTDSIHDE-UHFFFAOYSA-N 420.531 3.451 0 40 HGAB O=C(NC(=S)Nc1cccc(-c2ccc(CO)o2)c1)c1ccc2c(c1)OCCO2 6896292 OWHHHFPPEQEIME-UHFFFAOYSA-N 410.451 3.337 0 40 HGAB CCOc1cc(C(=S)N2CCOCC2)ccc1OCC(=O)Nc1ccc(F)cc1 6960832 AMDRIWQHOYDHKZ-UHFFFAOYSA-N 418.490 3.250 0 40 HGAB NC(=O)[C@H]1CN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)c2ccccc2O1 7307317 AGPOWAICWUNGFD-HXUWFJFHSA-N 400.500 3.176 0 40 HGAB Cc1ccc(OCC(=O)OCc2cc(=O)n3nc(-c4cccs4)sc3n2)cc1 8605624 RNQVYOBRZJERKZ-UHFFFAOYSA-N 413.480 3.310 0 40 HGAB C[C@@H](NC(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O)c1ccc2c(c1)OCO2 8631820 QIMMNSDESNJRKP-SECBINFHSA-N 402.756 3.127 0 40 HGAB O=C1C[C@H](CNS(=O)(=O)c2ccc3c(c2)CCCC3)CN1c1ccc(F)cc1 9036564 HRYKBFGZTSKMHO-OAHLLOKOSA-N 402.491 3.036 0 40 HGAB Cc1ccc(CCCNC(=O)CN(c2ccc(C)c(Cl)c2)S(C)(=O)=O)cc1 10110454 NDLGCHPFSOBIRV-UHFFFAOYSA-N 408.951 3.472 0 40 HGAB CCc1ccc([C@H]2c3c(-c4cccc(OC)c4)nnc(O)c3Nc3nnnn32)cc1 10296900 GAYOEJFFPSPHMC-IBGZPJMESA-N 401.430 3.101 0 40 HGAB CS(=O)(=O)c1ccc(Cl)c(NC(=O)Cc2cc(Cl)c3c(c2)OCCO3)c1 10441727 YLSHIWOCPAMJJP-UHFFFAOYSA-N 416.282 3.349 0 40 HGAB CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)c1ccc2c(c1)CCCC2 10707584 OOTKMHXNKFNVOR-UHFFFAOYSA-N 400.544 3.323 0 40 HGAB CCCN1C(=S)N[C@@H](c2ccc([N+](=O)[O-])cc2)C(C(=O)Nc2cc(C)on2)=C1C 11202699 QNXSMADIOUPUBB-KRWDZBQOSA-N 415.475 3.445 0 40 HGAB Cc1nn(-c2ccccc2)cc1[C@@H]1CC(c2ccc3c(c2)OCO3)=NN1S(C)(=O)=O 12821398 HXLYEMMXGWGDTE-IBGZPJMESA-N 424.482 3.020 0 40 HGAB CC(=O)N1C[C@H](C(=O)Nc2ccc(I)cc2)Oc2ccccc21 12994191 OEPVCOVXFDOMRZ-MRXNPFEDSA-N 422.222 3.044 0 40 HGAB CCC(CC)[C@@H](CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)N1CCOCC1 12997271 RMGIYEGRMKSCSF-QGZVFWFLSA-N 424.485 3.001 0 40 HGAB Cc1cccc(-c2nnc(-c3ccc(C(=O)N4CCN(C(=O)C5CC5)CC4)cc3)o2)c1 13013200 JAWRNVOICHJJNX-UHFFFAOYSA-N 416.481 3.406 0 40 HGAB COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NCCCCCC(=O)O)cc1 13510317 VYONVCDGRWSIPX-SILNSSARSA-N 410.470 3.227 0 40 HGAB CCN1CCN(C(=O)COc2ccc3c(=O)c(Oc4ccccc4)c(C)oc3c2)CC1 13682201 OWSABBQZPSETCX-UHFFFAOYSA-N 422.481 3.437 0 40 HGAB COc1ccc(OC)c(NC(=O)C[C@H]2CCCCN2S(=O)(=O)c2cccs2)c1 15391271 BZDOBVNRCFNHLZ-CQSZACIVSA-N 424.544 3.337 0 40 HGAB CSc1nc(O)c2sc3nc(N4CCOCC4)c4c(c3c2n1)CC(C)(C)OC4 17181104 VDIVYQIYGCAZBB-UHFFFAOYSA-N 418.544 3.355 0 40 HGAB Cc1ccc(CN2C[C@@H](C(=O)NC(C)C)[C@H](c3ccnc(N4CCCCC4)n3)C2)o1 19216640 URLUEHKPRZVDHQ-WOJBJXKFSA-N 411.550 3.109 0 40 HGAB Cc1nc2ccccc2n1C[C@@H](C)C(=O)Nc1ccccc1CN1CCN(C)CC1 19286756 YHYSWUOXAFNJOJ-GOSISDBHSA-N 405.546 3.367 0 40 HGAB CCOc1ccc(CN2CCC[C@@H](c3ncccc3S(C)(=O)=O)C2)cc1OC 19533783 SVFOMEBODMWUKJ-QGZVFWFLSA-N 404.532 3.272 0 40 HGAB Cn1c(=O)c(C(=O)NC[C@@H](c2ccc(F)cc2)N2CCCCC2)nc2ccccc21 19666421 HDUDQRYEJPEFTE-FQEVSTJZSA-N 408.477 3.030 0 40 HGAB O=C(COc1ccc2ccccc2c1)NCCNC(=O)c1nc(C2CCCCC2)no1 20534200 ICRWQCHNHRFCEY-UHFFFAOYSA-N 422.485 3.196 0 40 HGAB CCOC(=O)CN(CCN(CC(=O)OCC)Cc1ccccc1)Cc1ccccc1 22462408 LMUBGEJORCPEDQ-UHFFFAOYSA-N 412.530 3.117 0 40 HGAB O=C(c1ccc(Cn2nnc3ccccc32)cc1)N1CCN(Cc2ccccc2)CC1 24045434 NBMITWSRCRWIPR-UHFFFAOYSA-N 411.509 3.438 0 40 HGAB CCOc1cccc2cc([C@@H](C)NC(=O)c3ccc4c(c3)[nH]c(=O)c(=O)n4CC)oc12 24925050 MRTUONXPCCIQIS-CYBMUJFWSA-N 421.453 3.346 0 40 HGAB O=C(Nc1nc2c(s1)CCC2)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1 25769410 PVATXBGUDWHJLT-JTQLQIEISA-N 406.305 3.386 0 40 HGAB CCn1c(=O)n(CC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)c2ccccc21 27154058 DMBGBTJNUIEDMI-SFHVURJKSA-N 421.497 3.348 0 40 HGAB CCOc1ccc(CNC(=O)N2CCc3cc(OC)c(OC)cc3C2)cc1OC 31187086 RVSAXGFXOPNJLC-UHFFFAOYSA-N 400.475 3.379 0 40 HGAB O=C(Nc1ccc(Cn2cncn2)cc1)[C@@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1 32092384 LTCOTZPQHOFQQF-CQSZACIVSA-N 413.840 3.111 0 40 HGAB Cn1ccnc1C(=O)c1ccc(NC(=O)C2CCN(C(=O)c3cccs3)CC2)cc1 32738454 DJOUTAXBWAEFNI-UHFFFAOYSA-N 422.510 3.204 0 40 HGAB Cc1cc(CN2CCN(CC(=O)c3cc(C)n(Cc4ccccc4)c3C)CC2)no1 32797322 VHWAGPFZWWRPDS-UHFFFAOYSA-N 406.530 3.450 0 40 HGAB Cc1ccc(-c2nc(CSc3nnc([C@H]4CCS(=O)(=O)C4)n3C)cs2)o1 32922462 LYQSORMCXCSXPA-NSHDSACASA-N 410.546 3.034 0 40 HGAB CCN(CC)c1ccc(NC(=O)COC(=O)c2ccc(N3CCCC3=O)cc2)cc1 32945329 IEZDSEURRNVQMV-UHFFFAOYSA-N 409.486 3.455 0 40 HGAB Cc1ccc(-c2csc3ncn(NC(=O)[C@@H]4COc5ccccc5O4)c(=O)c23)cc1 32985976 LGHJMHHIOCWPAQ-SFHVURJKSA-N 419.462 3.344 0 40 HGAB COc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@@H]3CCCN3[C@H](C(=O)c3ccccc3)[C@@H]2C1=O 35876503 DGCKMEPKTUBWJY-OBZTUIKSSA-N 424.884 3.184 0 40 HGAB Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)NCCCN(C)CC(F)(F)F 40109010 NFHKXGHMSIRXAK-UHFFFAOYSA-N 421.467 3.432 0 40 HGAB C[C@]1(c2cccc(NC(=O)c3cc(Br)ccc3Cl)c2)NC(=O)NC1=O 40110884 RYDOHXSPYHBQBT-QGZVFWFLSA-N 422.666 3.409 0 40 HGAB COc1cc(OC)cc(C(=O)N2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)c1 40130897 GVZLEABUBOOJCH-UHFFFAOYSA-N 403.866 3.243 0 40 HGAB CCCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(OC)c(OC3CCCC3)c2)C1 40132913 SXNCTTXUXULPKH-MRXNPFEDSA-N 424.563 3.407 0 40 HGAB COc1ccc(Nc2ncc([N+](=O)[O-])c(NC3CC3)n2)cc1OC[C@H]1CCCO1 42099955 ATCFYMAAUGVXFK-CQSZACIVSA-N 401.423 3.269 0 40 HGAB O=C(NCc1ccc(S(=O)(=O)N2CCCC2)s1)Nc1cccc2ncccc12 43422181 XOXXNCDEGCXDRV-UHFFFAOYSA-N 416.528 3.403 0 40 HGAB Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)c2ccc3ncsc3c2)CC1 54911880 KSTRLGGDDKOFNC-UHFFFAOYSA-N 408.527 3.310 0 40 HGAB COc1ccccc1N1CCN([C@H](c2nnnn2Cc2ccc(F)cc2)C(C)C)CC1 57670847 JZZOAPVWUDDYMS-QFIPXVFZSA-N 424.524 3.388 0 40 HGAB O=C(NC[C@@H](c1ccco1)N1CCCCC1)Nc1cccc(Cn2cccnc2=O)c1 57997371 FUDHJYVQNMFTPI-FQEVSTJZSA-N 421.501 3.233 0 40 HGAB COCCCN1CCCN(C(=O)c2sc(Cc3ccc(F)cc3)nc2C)CC1 58357315 BBKOROWXVRLNPA-UHFFFAOYSA-N 405.539 3.366 0 40 HGAB C[C@@H]1CCCN(c2nc3ncn(CC(=O)Nc4cccc(Cl)c4)c(=O)c3s2)C1 67226155 KKGQAMMNKMYTFJ-GFCCVEGCSA-N 417.922 3.381 0 40 HGAB O=C(CN1C(=O)N2CCCN=C2c2ccc(Cl)cc21)Nc1ccc2c(c1)OCO2 72335733 JDCSHFFXLVGBAR-UHFFFAOYSA-N 412.833 3.100 0 40 HGAB O=c1nc(-c2ccccn2)[nH]c2c1CCN(Cc1cn[nH]c1-c1ccc(Cl)cc1)C2 72336818 OHRMYCAYDKHBSW-UHFFFAOYSA-N 418.888 3.434 0 40 HGAB CN1CCN(C(=O)COc2ccccc2)[C@@H](Cc2cccc(-c3cccnc3)c2)C1=O 72351730 JJVNWPPHRSAPDS-QHCPKHFHSA-N 415.493 3.039 0 40 HGAB CCOc1ccc(CC(=O)N2CCC([C@@H]3C[C@H](C(F)F)n4ncnc4N3)CC2)cc1 72395635 ARJZGNYIDRGORF-ZWKOTPCHSA-N 419.476 3.149 0 40 HGAB CCOc1ccc(NCCN(C)c2ccccc2)cc1S(=O)(=O)N1CCCC1 84810931 CUBCYANJVMAGCC-UHFFFAOYSA-N 403.548 3.418 0 40 HGAB O=C(NCc1ccc([C@H](O)c2cccs2)s1)C(=O)NCc1ccccc1Cl 90613758 GBSOYYSVVDNRFV-QGZVFWFLSA-N 420.943 3.477 0 40 HGAB Cc1nn(C)c(C)c1C(=O)Nc1ccc(-n2ncc(C(=O)O)c2C(F)(F)F)cc1 95389874 ANNQXLYQUUACIA-UHFFFAOYSA-N 407.352 3.192 0 40 HGAB Cc1cc(NC(=O)[C@H]2Oc3c(c(=O)oc4ccccc34)[C@@H]2c2ccc(O)cc2)no1 96113806 MULPZSDJRFODPF-PXNSSMCTSA-N 404.378 3.327 0 40 HGAB biogenic C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2[C@H](O)C[C@]2(C)[C@@H](c3ccc(=O)oc3)CC[C@@]12O 118916769 FMTLOAVOGWSPEF-JVDSRXGHSA-N 402.531 3.213 0 40 HGAB Cc1[nH]c(N2CCCCC2)nc(=O)c1CN1CCN(Cc2ccccc2Cl)CC1 141525575 XHQREEJDQOZUDK-UHFFFAOYSA-N 415.969 3.040 0 40 HGAB CCN(Cc1nc(-c2cccs2)no1)C(=O)COc1cc(OC)cc(OC)c1 218901258 HVUXLCLGKHDJCJ-UHFFFAOYSA-N 403.460 3.243 0 40 HGAB COc1ccc(-c2ncc(C(=O)NCCc3ccc(OC)c(OC)c3)c(C)n2)cc1 223139488 QIMHAENSSIHSPI-UHFFFAOYSA-N 407.470 3.450 0 40 HGAB CC[C@@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)COc1ccc(Cl)cc1 223372032 HXVWJIUVUDAAEA-IBGZPJMESA-N 404.894 3.281 0 40 HGAB S=C(NCc1ccc2c(c1)OCCO2)Nc1ccc(Sc2ncccn2)nc1 224051851 XSDYWQJHKROAFO-UHFFFAOYSA-N 411.512 3.281 0 40 HGAB C[C@H](CNC(=O)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1)c1ccccc1 224355858 XXBALJLRCFYDDY-QGZVFWFLSA-N 418.534 3.287 0 40 HGAB COc1ccc(N2C[C@@H](C(=O)N3CCCC[C@@H]3c3cccnc3)CC2=O)c(OC)c1 225423121 QITRPVZRWPTOIY-PKOBYXMFSA-N 409.486 3.206 0 40 HGAB biogenic COc1cccc(CNC(=O)[C@@H]2C[C@H]3CC[C@H]2C[C@]32NC(=O)c3ccccc3O2)c1 247891942 MUUUQLQTIJADFU-AQWIKTBWSA-N 406.482 3.266 0 40 HGAB CC(=O)N1[C@@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)c1ccnnc1 257229690 FZDQNLBZAMCVFU-LYVDORBWSA-N 418.541 3.482 0 40 HGAB CCN(CC(=O)N[C@H](C)c1ccc(OC)cc1)S(=O)(=O)c1cc(C)ccc1C 260833462 WVGBBVWFQGVIMV-QGZVFWFLSA-N 404.532 3.200 0 40 HGAB COc1cccc2c1[C@H]1[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3[C@H]2N1C(=O)C(C)(C)C 261828236 HUGYJIJSUVBLPZ-YRPNKDGESA-N 404.466 3.485 0 40 HGAB O=C(c1ccc(F)cc1)N1CCO[C@H](c2nnn3cc(-c4ccncc4)ccc23)C1 306129456 IDWJWLKRUFFFAZ-FQEVSTJZSA-N 403.417 3.144 0 40 HGAB Cc1cccc(CN2C[C@H]3Cc4nnc(C(=O)Nc5cccc(F)c5)n4C[C@@H]3C2)c1 306137980 RLSKDMIMTGFOEC-MSOLQXFVSA-N 405.477 3.282 0 40 HGAB Cc1nn(-c2ccccc2F)c(C)c1[C@@H]1COCCN1C(=O)CCOCC(F)F 558982590 VNEVMPZTEKTZFN-KRWDZBQOSA-N 411.424 3.200 0 40 HGAB Cn1cnc([C@@H]2C[C@]3(CCCN(CC4CC4)C3=O)CN2C(=O)Cc2cccc(F)c2)c1 585106396 AAJJVECZAFGUIZ-XUZZJYLKSA-N 424.520 3.094 0 40 HGAB Cc1nc(Nc2nnc(C)s2)cc([C@H]2CCCN(C(=O)/C=C/c3ccco3)C2)n1 585293081 WJCXEPGTOHMZEH-KIUWMYQTSA-N 410.503 3.701 0 40 HGAB C=CC(=O)Nc1cccc(C(=O)N2CCC[C@H]2c2ncc(Br)cn2)c1 1652371178 RHCRIMHAWMYFNJ-HNNXBMFYSA-N 401.264 3.341 0 40 HGAB CCOc1ccc(C(=O)N2C[C@H]3CN(c4ccc(C(F)(F)F)cn4)C[C@@H]3C2)cn1 1888856502 FEHJGMVWHOZYLN-HUUCEWRRSA-N 406.408 3.103 0 40 HGAB Cc1ccc(CNC(=O)CCn2ccn3nc(-c4ccc(F)cc4)cc3c2=O)cc1 1889030502 WNPMFHOGBHIJBW-UHFFFAOYSA-N 404.445 3.317 0 40 HGAB